data_r4ywasf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-09-09 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4ywa 
_cell.length_a      40.7700 
_cell.length_b      72.3200 
_cell.length_c      78.7100 
_cell.angle_alpha   117.2300 
_cell.angle_beta    105.0000 
_cell.angle_gamma   89.9400 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00003 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.192 
_diffrn_reflns.pdbx_d_res_low    66.968 
_diffrn_reflns.limit_h_max       33 
_diffrn_reflns.limit_h_min       -34 
_diffrn_reflns.limit_k_max       53 
_diffrn_reflns.limit_k_min       -60 
_diffrn_reflns.limit_l_max       66 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            244172 
_diffrn_reflns.pdbx_number_obs   229498 
# 
_entry.id   4ywa 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ywa 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -34 -6  18 o ?       ?       -5.1322    101.931  0.0000     0.0000   -5.1322    101.931  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -6  19 o ?       ?       -8.4531    95.532   0.0000     0.0000   -8.4531    95.532   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -6  20 o ?       ?       90.209     77.567   361.575    291.967  69.601     80.458   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -6  21 o ?       ?       -49.1133   62.827   -27.5221   68.054   -173.6838  163.464  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -6  22 o ?       ?       49.271     74.962   75.150     82.603   -71.5189   178.459  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  16 o ?       ?       174.265    92.653   0.0000     0.0000   174.265    92.653   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  17 o ?       ?       -92.5217   94.238   0.0000     0.0000   -92.5217   94.238   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  18 o ?       ?       -49.7152   100.981  0.0000     0.0000   -49.7152   100.981  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  19 o ?       ?       100.838    98.324   -33.8451   254.954  124.369    106.568  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  20 o ?       ?       121.587    62.030   110.806    83.997   134.518    91.993   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  21 o ?       ?       12.353     72.399   -9.6428    78.612   135.242    185.809  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  22 o ?       ?       103.619    78.867   96.215     87.179   136.988    185.075  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -5  23 o ?       ?       -8.8041    54.609   42.494     76.970   -60.7970   77.489   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  15 o ?       ?       44.557     83.595   0.0000     0.0000   44.557     83.595   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  16 o ?       ?       30.276     83.722   0.0000     0.0000   30.276     83.722   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  17 o ?       ?       -0.1339    102.287  0.0000     0.0000   -0.1339    102.287  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  18 o ?       ?       154.990    104.659  -153.6274  256.998  216.347    114.592  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  19 o ?       ?       -9.6936    58.786   -20.2731   71.039   13.288     104.702  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  20 o ?       ?       35.914     76.965   39.418     84.148   17.979     190.376  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  21 o ?       ?       101.763    80.915   78.430     88.252   224.844    202.691  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  22 o ?       ?       41.387     60.806   -3.3106    84.856   88.561     87.175   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -4  23 o ?       ?       12.723     51.748   31.050     69.579   -9.9620    77.411   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  13 o ?       ?       -56.7290   86.087   0.0000     0.0000   -56.7290   86.087   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  14 o ?       ?       65.114     84.769   0.0000     0.0000   65.114     84.769   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  15 o ?       ?       -0.0420    81.380   0.0000     0.0000   -0.0420    81.380   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  16 o ?       ?       13.793     84.923   0.0000     0.0000   13.793     84.923   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  17 o ?       ?       129.844    101.928  47.504     328.696  138.604    107.213  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  18 o ?       ?       65.733     62.133   142.119    74.619   -106.9673  112.199  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  19 o ?       ?       98.290     74.584   136.505    81.185   -108.4704  188.839  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  20 o ?       ?       23.560     74.743   43.526     81.454   -82.8404   188.035  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  21 o ?       ?       232.424    91.037   202.612    100.985  361.762    210.339  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  22 o ?       ?       81.226     60.827   121.697    87.213   42.894     84.878   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -3  23 o ?       ?       -58.0096   51.694   -66.6607   67.468   -45.7107   80.444   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  13 o ?       ?       36.389     94.676   0.0000     0.0000   36.389     94.676   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  14 o ?       ?       79.580     89.922   0.0000     0.0000   79.580     89.922   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  15 o ?       ?       45.466     85.242   0.0000     0.0000   45.466     85.242   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  16 f ?       ?       -56.3994   80.712   58.683     321.929  -64.1184   83.375   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  17 o ?       ?       88.329     63.720   114.073    81.321   47.383     102.557  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  18 o ?       ?       106.984    68.165   69.748     85.241   173.031    113.525  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  19 o ?       ?       148.260    84.855   156.555    93.314   108.627    203.968  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  20 o ?       ?       -141.7112  68.371   -150.0859  73.434   -87.1777   187.388  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  21 o ?       ?       170.873    70.927   192.638    88.465   131.708    118.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  22 o ?       ?       80.426     56.882   105.565    75.468   47.357     86.553   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -2  23 o ?       ?       -87.7248   50.541   -129.5905  66.324   -29.7450   78.051   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  12 o ?       ?       5.5238     91.935   0.0000     0.0000   5.5238     91.935   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  13 o ?       ?       -20.8632   93.245   0.0000     0.0000   -20.8632   93.245   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  14 o ?       ?       -83.0001   83.128   0.0000     0.0000   -83.0001   83.128   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  15 o ?       ?       117.991    93.310   0.0000     0.0000   117.991    93.310   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  16 o ?       ?       -65.5729   53.770   -62.6560   72.123   -69.2231   80.679   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  17 o ?       ?       118.297    66.396   9.2735     89.089   254.507    99.579   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  18 o ?       ?       38.474     80.845   6.7173     88.085   208.180    203.625  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  19 o ?       ?       -25.6517   76.993   -17.0778   83.180   -76.9407   203.443  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  20 o ?       ?       75.265     72.372   97.002     92.787   41.497     115.646  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  21 o ?       ?       20.879     60.071   -23.9179   73.570   110.479    104.047  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  22 o ?       ?       34.368     55.915   12.654     71.675   68.130     89.373   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 -1  23 o ?       ?       93.686     58.172   90.284     79.719   97.559     85.077   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   11 o ?       ?       21.910     83.966   0.0000     0.0000   21.910     83.966   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   12 f ?       ?       -35.7766   91.693   0.0000     0.0000   -35.7766   91.693   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   13 o ?       ?       39.154     96.619   0.0000     0.0000   39.154     96.619   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   14 o ?       ?       -71.7602   93.183   0.0000     0.0000   -71.7602   93.183   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   15 o ?       ?       -27.5460   81.772   125.583    304.620  -39.4372   84.887   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   16 o ?       ?       67.117     61.789   18.407     87.967   114.555    86.811   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   17 o ?       ?       16.802     67.533   51.386     75.063   -130.0857  154.698  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   18 o ?       ?       16.677     62.774   37.178     68.369   -93.4153   158.437  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   19 f ?       ?       -59.7519   56.688   -127.1161  67.591   100.003    104.088  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   20 o ?       ?       2.8439     58.946   11.616     72.635   -14.0772   100.880  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   21 o ?       ?       99.943     61.788   147.625    75.462   2.9484     107.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   22 o ?       ?       77.370     62.131   54.780     77.734   117.330    103.386  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 0   23 o ?       ?       62.329     93.302   562.471    290.742  4.9096     98.513   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   11 f ?       ?       66.587     86.460   0.0000     0.0000   66.587     86.460   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   12 o ?       ?       60.138     89.869   0.0000     0.0000   60.138     89.869   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   13 o ?       ?       64.609     94.160   0.0000     0.0000   64.609     94.160   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   14 o ?       ?       11.970     84.460   -14.5083   229.181  16.131     90.855   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   15 o ?       ?       18.903     53.414   -55.2317   69.188   128.274    84.036   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   16 o ?       ?       164.059    71.288   162.126    78.328   173.385    172.053  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   17 o ?       ?       56.085     70.689   85.791     77.974   -80.9742   167.488  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   18 o ?       ?       43.761     68.406   41.703     74.667   54.511     170.662  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   19 o ?       ?       32.484     55.534   79.735     68.453   -58.4901   94.983   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   20 o ?       ?       6.1711     60.741   46.411     75.841   -65.8143   101.438  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   21 o ?       ?       -35.2712   55.882   -16.5289   67.430   -76.3705   99.853   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 1   22 o ?       ?       -7.0265    121.484  -56.0862   254.980  7.3805     138.175  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   11 o ?       ?       -92.9990   77.459   0.0000     0.0000   -92.9990   77.459   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   12 o ?       ?       -23.2618   84.541   0.0000     0.0000   -23.2618   84.541   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   13 o ?       ?       74.014     86.668   -131.8358  229.999  108.081    93.565   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   14 o ?       ?       131.546    62.415   126.343    79.399   139.962    100.978  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   15 o ?       ?       -93.4497   55.040   -90.2545   59.100   -114.3399  151.114  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   16 o ?       ?       31.678     70.328   38.227     77.257   0.0070     169.903  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   17 o ?       ?       61.862     70.873   62.144     77.381   60.389     176.570  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   18 o ?       ?       -12.5591   51.086   95.842     65.271   -183.9468  82.072   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   19 o ?       ?       32.893     63.455   -55.2765   80.013   182.336    104.170  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   20 o ?       ?       -19.9843   62.150   -39.8242   76.613   18.200     106.286  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 2   21 o ?       ?       -109.4295  58.510   -108.7488  65.588   -112.0827  129.490  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   11 o ?       ?       80.297     90.123   0.0000     0.0000   80.297     90.123   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   12 o ?       ?       279.142    110.156  0.0000     0.0000   279.142    110.156  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   13 o ?       ?       57.240     58.403   65.712     73.112   42.301     97.085   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   14 o ?       ?       -26.5338   56.659   -13.0438   68.312   -56.2710   101.424  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   15 f ?       ?       9.6118     65.137   34.197     69.693   -160.2076  183.164  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   16 o ?       ?       7.2199     73.133   4.5562     79.093   22.922     192.036  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   17 o ?       ?       -0.8986    61.632   104.070    83.027   -129.7232  91.980   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   18 o ?       ?       50.908     63.760   29.649     89.019   73.304     91.367   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   19 o ?       ?       -12.4578   62.129   34.550     80.543   -81.5217   97.627   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 3   20 f ?       ?       107.276    76.860   94.301     90.803   140.067    144.348  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   11 o ?       ?       66.234     93.316   0.0000     0.0000   66.234     93.316   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   12 o ?       ?       42.954     92.404   106.575    294.245  35.993     97.328   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   13 o ?       ?       42.302     65.971   112.854    87.099   -52.6389   101.038  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   14 o ?       ?       -26.8542   81.771   -15.5150   91.066   -74.0496   185.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   15 f ?       ?       -60.2944   81.825   -62.8445   90.840   -49.3259   188.396  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   16 o ?       ?       -1.5264    63.565   -0.5162    93.929   -2.3800    86.338   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   17 o ?       ?       15.287     60.754   73.373     83.464   -50.1749   88.604   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   18 o ?       ?       55.090     64.511   87.962     88.631   18.054     94.078   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 4   19 o ?       ?       26.285     62.414   29.890     85.509   22.174     91.311   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   11 o ?       ?       86.785     94.650   186.505    322.550  77.390     99.009   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   12 o ?       ?       58.396     70.138   37.086     94.108   85.024     105.197  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   13 o ?       ?       57.111     90.332   9.2681     99.803   273.887    212.443  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   14 o ?       ?       -47.5805   84.633   42.348     94.061   -429.9116  193.946  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   15 o ?       ?       -12.1643   66.416   -32.3755   86.340   17.128     103.943  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   16 o ?       ?       59.042     66.335   100.339    91.965   14.252     95.774   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   17 o ?       ?       107.442    68.657   76.970     97.636   137.249    96.564   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 5   18 o ?       ?       54.011     64.634   12.005     89.758   99.249     93.147   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 6   12 o ?       ?       54.543     91.408   56.831     100.783  43.933     217.033  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 6   13 o ?       ?       90.220     93.963   56.562     104.842  227.625    211.832  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 6   14 o ?       ?       -0.9901    65.275   -98.3133   87.418   121.651    98.132   ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 6   15 o ?       ?       113.098    70.703   33.246     91.458   231.698    111.460  ?       ?       ?       ?       0.000000       ?        
1 1 1 -34 6   16 o ?       ?       6.8576     62.126   -22.0654   83.870   42.024     92.479   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -16 24 o ?       ?       81.057     82.843   0.0000     0.0000   81.057     82.843   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 19 f ?       ?       36.457     77.278   0.0000     0.0000   36.457     77.278   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 20 o ?       ?       -123.2339  51.121   0.0000     0.0000   -123.2339  51.121   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 21 o ?       ?       -16.1747   66.184   0.0000     0.0000   -16.1747   66.184   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 22 o ?       ?       12.297     78.153   0.0000     0.0000   12.297     78.153   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 23 o ?       ?       -114.1767  60.998   0.0000     0.0000   -114.1767  60.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 24 o ?       ?       49.132     73.173   0.0000     0.0000   49.132     73.173   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 25 o ?       ?       -11.6734   64.360   170.503    165.334  -44.2102   69.872   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 26 o ?       ?       -58.0717   83.595   13.486     189.553  -75.3496   93.142   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 27 o ?       ?       84.354     92.502   -34.4299   204.516  114.903    103.718  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 28 o ?       ?       118.254    100.947  140.504    207.064  111.317    115.618  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -15 29 o ?       ?       -52.9195   79.116   -127.1948  274.815  -46.2073   82.614   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 17 o ?       ?       -12.9884   59.790   0.0000     0.0000   -12.9884   59.790   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 18 o ?       ?       24.913     79.020   0.0000     0.0000   24.913     79.020   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 19 o ?       ?       -29.2118   73.128   0.0000     0.0000   -29.2118   73.128   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 20 o ?       ?       77.559     69.447   0.0000     0.0000   77.559     69.447   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 21 o ?       ?       90.088     64.695   0.0000     0.0000   90.088     64.695   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 22 o ?       ?       -43.8086   62.015   0.0000     0.0000   -43.8086   62.015   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 23 o ?       ?       125.521    75.774   0.0000     0.0000   125.521    75.774   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 24 o ?       ?       37.685     66.592   165.965    166.129  13.128     72.687   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 25 o ?       ?       61.649     71.211   -95.3297   172.871  93.730     78.149   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 26 o ?       ?       186.978    122.264  0.0000     0.0000   186.978    122.264  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 27 f ?       ?       118.148    66.924   121.309    80.927   111.311    119.029  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 28 o ?       ?       90.590     58.803   39.649     80.051   150.293    86.661   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 29 o ?       ?       -66.5422   48.455   -63.0214   59.282   -73.6288   84.105   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -14 30 o ?       ?       -113.1095  46.971   -152.1616  57.471   -34.5395   81.518   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 15 o ?       ?       -6.2856    57.495   0.0000     0.0000   -6.2856    57.495   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 16 o ?       ?       100.390    77.768   0.0000     0.0000   100.390    77.768   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 17 o ?       ?       81.452     68.672   0.0000     0.0000   81.452     68.672   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 18 o ?       ?       7.4731     75.873   0.0000     0.0000   7.4731     75.873   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -13 20 o ?       ?       -12.4276   56.184   0.0000     0.0000   -12.4276   56.184   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 21 o ?       ?       70.907     63.677   0.0000     0.0000   70.907     63.677   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 22 o ?       ?       -7.4132    57.733   -38.8949   330.619  -6.4231    58.633   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 23 o ?       ?       21.409     71.388   -158.3752  188.430  51.539     77.138   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 24 o ?       ?       30.936     49.433   40.971     63.544   15.554     78.672   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 25 o ?       ?       -31.9463   48.903   16.368     64.046   -99.4988   75.732   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 26 o ?       ?       -30.0520   60.915   -88.5537   74.067   92.234     107.085  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 27 o ?       ?       57.729     63.603   15.076     77.337   146.873    111.804  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 28 o ?       ?       10.129     53.876   16.016     72.284   2.7705     80.811   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 29 o ?       ?       51.342     55.729   61.076     70.766   35.449     90.427   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 30 o ?       ?       0.4950     52.465   16.647     65.620   -28.1261   87.350   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -13 31 o ?       ?       -15.3414   106.077  -285.7790  261.993  37.685     116.012  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -12 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -12 15 o ?       ?       -95.1273   67.473   0.0000     0.0000   -95.1273   67.473   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 16 o ?       ?       214.302    91.677   0.0000     0.0000   214.302    91.677   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 17 o ?       ?       63.277     81.859   0.0000     0.0000   63.277     81.859   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -12 19 o ?       ?       -71.8809   51.905   0.0000     0.0000   -71.8809   51.905   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 20 o ?       ?       34.785     60.730   0.0000     0.0000   34.785     60.730   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 21 o ?       ?       -2.5779    62.765   285.765    327.706  -13.5579   63.948   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 22 o 8.9014  4.5072  42.057     49.041   46.087     71.058   38.392     67.767   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 23 o ?       ?       -33.9224   46.928   4.2548     63.446   -80.0359   69.729   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 24 o ?       ?       -50.4888   50.204   -33.9577   68.923   -69.1741   73.276   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 25 o ?       ?       -24.3741   59.892   -41.9068   71.702   16.094     108.934  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 26 o ?       ?       60.968     67.536   29.127     81.441   131.073    120.845  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 27 o ?       ?       70.343     63.289   121.185    84.729   6.1722     95.190   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 28 o ?       ?       36.670     59.454   16.603     74.085   72.976     99.651   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 29 o ?       ?       28.652     61.167   6.3804     79.638   60.690     95.518   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 30 o ?       ?       32.893     61.976   43.369     78.481   15.535     101.019  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 31 o ?       ?       -63.8129   110.284  -202.7505  258.714  -32.9596   121.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -12 32 f ?       ?       -43.7084   106.873  13.734     263.938  -54.9735   116.883  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -11 13 o ?       ?       -35.8114   99.813   0.0000     0.0000   -35.8114   99.813   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 14 o ?       ?       80.040     83.780   0.0000     0.0000   80.040     83.780   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 15 o ?       ?       132.192    75.915   0.0000     0.0000   132.192    75.915   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 16 o ?       ?       45.655     69.599   0.0000     0.0000   45.655     69.599   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 17 o ?       ?       54.712     82.863   0.0000     0.0000   54.712     82.863   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -11 19 o ?       ?       -39.3929   59.009   0.0000     0.0000   -39.3929   59.009   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 20 o ?       ?       109.009    68.204   118.542    326.184  108.574    69.745   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 21 o 8.7852  4.4500  29.617     48.096   75.614     69.111   -13.5831   66.977   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 22 o 9.0280  4.5747  43.545     51.171   57.610     74.686   31.102     70.251   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 23 o 9.2058  4.6523  51.604     50.424   50.211     71.058   53.017     71.565   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 24 o ?       ?       11.694     57.392   34.300     74.606   -21.0772   89.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 25 f ?       ?       -22.7119   67.465   -37.1195   73.305   57.051     172.479  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 26 o ?       ?       -32.9208   66.008   -15.0911   71.150   -143.0626  176.839  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 27 o ?       ?       41.049     63.732   35.113     83.463   49.351     98.703   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 28 o ?       ?       -33.7083   60.772   -34.7596   78.015   -32.0860   96.917   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 29 o ?       ?       23.751     62.293   55.260     79.589   -26.0740   100.082  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 30 o ?       ?       82.642     70.205   68.855     85.410   111.360    123.268  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 31 o ?       ?       38.645     110.526  -161.3304  276.932  76.534     120.543  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -11 32 o ?       ?       7.2251     94.844   -577.3121  270.983  88.826     101.247  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -10 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -10 12 o ?       ?       -22.4749   99.007   0.0000     0.0000   -22.4749   99.007   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 13 o ?       ?       -102.9236  48.565   0.0000     0.0000   -102.9236  48.565   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 14 o ?       ?       -14.2729   53.810   0.0000     0.0000   -14.2729   53.810   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 15 o ?       ?       94.055     74.460   0.0000     0.0000   94.055     74.460   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 16 o ?       ?       2.8126     119.374  0.0000     0.0000   2.8126     119.374  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -10 18 o ?       ?       -44.6206   60.669   0.0000     0.0000   -44.6206   60.669   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 19 o ?       ?       112.343    69.957   -242.6310  290.742  134.157    72.074   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 20 o 9.2146  4.6564  46.359     50.432   1.7293     74.611   83.903     68.432   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 21 o 9.1108  4.6194  43.089     52.713   33.611     74.504   52.589     74.591   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 22 o ?       ?       -59.2816   49.251   -29.1024   68.144   -92.2872   71.264   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 23 o ?       ?       46.466     56.209   98.331     78.330   -8.5947    80.706   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 24 o ?       ?       60.140     76.926   43.429     84.658   139.292    184.245  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 25 o ?       ?       127.694    77.846   140.345    85.096   62.797     192.736  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 26 o ?       ?       -20.8633   76.279   -56.7887   83.162   169.611    191.489  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 27 o ?       ?       -99.0878   54.946   -97.4937   69.123   -101.8236  90.558   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 28 o ?       ?       10.621     61.955   56.913     79.442   -61.2420   98.980   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 29 o ?       ?       2.4051     60.718   70.658     78.695   -97.9931   95.445   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 30 o ?       ?       36.876     118.594  -237.4178  346.776  73.205     126.203  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 31 o ?       ?       -153.9134  105.184  324.769    341.884  -203.9598  110.546  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -10 32 o ?       ?       -15.2320   61.022   27.211     81.389   -69.7197   92.217   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -9  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -9  11 o ?       ?       -51.4600   99.512   0.0000     0.0000   -51.4600   99.512   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  12 o ?       ?       -74.5654   68.401   0.0000     0.0000   -74.5654   68.401   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  13 o ?       ?       29.036     57.998   0.0000     0.0000   29.036     57.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  14 o ?       ?       24.596     64.551   0.0000     0.0000   24.596     64.551   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  15 o ?       ?       18.831     75.147   0.0000     0.0000   18.831     75.147   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  16 o ?       ?       102.435    130.392  0.0000     0.0000   102.435    130.392  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  17 o ?       ?       -16.6899   66.585   0.0000     0.0000   -16.6899   66.585   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  18 o ?       ?       13.590     64.108   112.061    296.421  8.7585     65.663   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  19 o ?       ?       -26.3625   50.552   -23.7886   70.850   -29.0317   72.149   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  20 o 8.9701  4.5575  30.556     53.214   -61.1779   76.283   117.510    74.269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  21 o 11.103  5.5400  146.245    60.606   88.766     87.234   199.876    84.263   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  22 o 10.888  5.4535  140.355    61.322   175.230    86.117   104.481    87.341   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  23 o 9.8916  5.0091  91.282     60.668   134.121    85.450   47.739     86.150   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  24 o ?       ?       115.669    82.987   103.621    91.420   172.086    197.826  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  25 o ?       ?       8.8710     76.370   -36.9416   82.621   277.760    200.162  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  26 o ?       ?       -24.7847   59.621   -74.0425   76.226   52.833     95.686   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  27 o ?       ?       23.782     63.639   -23.6717   82.685   92.742     99.676   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  28 o ?       ?       -69.0917   57.376   -138.5545  74.249   33.869     90.396   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  29 f ?       ?       40.981     66.051   28.507     77.320   74.668     127.058  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  30 o ?       ?       268.139    127.742  19.763     364.548  302.905    136.389  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  31 o ?       ?       133.061    130.663  230.543    358.768  118.153    140.299  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  32 o ?       ?       -80.8968   56.528   -30.0293   69.257   -182.4122  97.838   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -9  33 o ?       ?       -15.2932   60.525   -50.0164   77.333   39.605     97.237   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -8  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -8  10 f 9.5226  4.8305  84.011     58.106   0.0000     0.0000   84.011     58.106   ?       ?       9.5226  4.8305  0.000000       4.830526 
1 1 1 -33 -8  11 o ?       ?       -28.3011   71.468   0.0000     0.0000   -28.3011   71.468   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  12 o 9.2362  4.6963  56.814     57.326   0.0000     0.0000   56.814     57.326   ?       ?       9.2362  4.6963  0.000000       4.696295 
1 1 1 -33 -8  13 o ?       ?       73.177     65.215   0.0000     0.0000   73.177     65.215   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  14 o ?       ?       24.655     66.034   0.0000     0.0000   24.655     66.034   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  15 o ?       ?       179.068    133.389  0.0000     0.0000   179.068    133.389  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  16 o ?       ?       64.377     125.927  0.0000     0.0000   64.377     125.927  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  17 o ?       ?       87.012     97.773   0.0000     0.0000   87.012     97.773   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  18 o ?       ?       -7.0000    48.226   -18.2844   69.187   3.6642     67.259   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  19 o 9.7889  4.9367  69.124     55.013   123.254    77.305   13.583     78.305   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  20 o ?       ?       22.365     54.144   -47.7783   75.946   94.869     77.213   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  21 o ?       ?       -41.3444   52.710   43.725     74.730   -125.5675  74.358   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  22 o 9.7730  4.9498  76.011     59.414   80.045     83.947   71.962     84.100   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  23 o ?       ?       53.753     77.511   3.5498     87.259   241.540    168.764  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  24 o ?       ?       -5.5177    72.811   -33.1784   81.671   101.617    160.732  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  25 f ?       ?       -58.9601   63.152   -53.2671   68.715   -89.9118   160.224  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  26 o ?       ?       1.7654     58.425   -24.7398   75.021   42.617     93.137   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  27 o ?       ?       58.642     62.681   9.4050     79.353   140.335    102.215  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  28 o ?       ?       71.583     63.260   124.570    80.449   -14.2602   102.397  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  29 o ?       ?       99.475     120.966  476.889    369.433  54.151     128.023  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  30 o ?       ?       149.796    124.352  108.369    357.841  155.486    132.617  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  31 o ?       ?       31.042     64.636   49.343     82.666   2.2550     103.682  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  32 o ?       ?       2.0999     62.713   22.643     78.629   -33.8168   103.967  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -8  33 o ?       ?       38.284     65.580   41.688     82.740   32.530     107.555  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -7  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -7  9  o 9.7723  4.9311  87.352     55.341   0.0000     0.0000   87.352     55.341   ?       ?       9.7723  4.9311  0.000000       4.931118 
1 1 1 -33 -7  10 f ?       ?       39.378     82.812   0.0000     0.0000   39.378     82.812   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  11 o ?       ?       10.174     91.638   0.0000     0.0000   10.174     91.638   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  12 o ?       ?       -3.7299    58.277   0.0000     0.0000   -3.7299    58.277   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  13 o ?       ?       76.327     69.778   0.0000     0.0000   76.327     69.778   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  14 o ?       ?       69.460     92.145   0.0000     0.0000   69.460     92.145   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  15 o ?       ?       96.038     126.138  0.0000     0.0000   96.038     126.138  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  16 o ?       ?       105.065    102.069  0.0000     0.0000   105.065    102.069  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  17 o ?       ?       -59.5001   58.335   -130.7710  72.917   67.223     97.229   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  18 o 10.149  5.1000  83.020     55.943   142.077    79.660   25.552     78.581   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  19 o 9.3253  4.7310  42.548     55.857   76.439     80.794   11.517     77.309   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  20 o ?       ?       26.319     55.486   36.880     82.526   17.606     74.957   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  21 o 8.8742  4.5108  16.848     52.576   -0.3490    73.108   35.270     75.665   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  22 o ?       ?       -9.6547    53.405   62.634     73.792   -89.1635   77.389   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  23 o ?       ?       -46.4084   66.838   -13.1293   73.543   -204.3567  160.219  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  24 o ?       ?       126.253    76.816   119.851    84.755   155.708    181.787  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  25 o 11.447  5.7170  172.546    65.206   159.082    90.195   187.286    94.378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  26 o ?       ?       -28.6441   58.082   -19.6018   80.100   -38.6702   84.344   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  27 o ?       ?       43.931     62.925   50.923     83.354   34.665     95.948   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  28 o ?       ?       -2.1189    65.069   -4.6734    78.653   3.4212     115.831  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  29 o ?       ?       1.9665     122.478  403.475    346.069  -55.5246   130.953  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  30 o ?       ?       -63.5069   107.087  -955.3482  368.473  18.769     111.917  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  31 o 10.752  5.4450  198.878    71.690   147.271    91.307   281.828    115.760  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  32 o ?       ?       54.598     69.286   20.725     87.663   110.977    113.095  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -7  33 o ?       ?       111.309    67.575   134.763    84.564   69.874     112.400  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -6  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -6  8  o 9.3381  4.7185  58.088     51.731   0.0000     0.0000   58.088     51.731   ?       ?       9.3381  4.7185  0.000000       4.718547 
1 1 1 -33 -6  9  o ?       ?       -25.6989   78.373   0.0000     0.0000   -25.6989   78.373   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  10 o ?       ?       -50.2201   85.662   0.0000     0.0000   -50.2201   85.662   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  11 o ?       ?       -55.8100   52.238   0.0000     0.0000   -55.8100   52.238   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  12 o ?       ?       8.1847     80.372   0.0000     0.0000   8.1847     80.372   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  13 o ?       ?       72.637     80.969   0.0000     0.0000   72.637     80.969   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  14 o ?       ?       50.841     88.605   0.0000     0.0000   50.841     88.605   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  15 o ?       ?       222.700    136.879  0.0000     0.0000   222.700    136.879  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  16 o ?       ?       -2.7675    58.252   7.4345     71.707   -22.5658   99.892   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  17 o ?       ?       -30.3851   56.671   80.382     70.566   -231.5919  95.107   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  18 o 9.7658  4.9266  60.461     55.044   73.161     75.457   46.017     80.473   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  19 o ?       ?       -71.7327   47.493   -58.8673   67.928   -84.0363   66.429   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  20 o 8.8529  4.4993  12.438     52.167   19.882     73.474   4.8711     74.081   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  21 o 9.3873  4.7571  42.248     55.407   126.880    76.363   -51.8396   80.516   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  22 o ?       ?       -40.8501   63.361   -52.6162   68.448   29.594     167.482  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  23 o ?       ?       109.492    79.772   146.266    88.462   -50.5620   184.554  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  24 o ?       ?       -27.3072   55.768   -47.0125   81.049   -9.5885    76.855   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  25 o 10.216  5.1532  96.271     60.176   124.163    83.254   65.758     87.079   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  26 o ?       ?       -36.2707   55.525   -23.0433   76.173   -51.2673   81.108   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  27 o ?       ?       -94.4398   54.185   -68.7142   74.134   -123.9447  79.393   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  28 o ?       ?       -66.5563   115.850  -106.5108  357.631  -61.8722   122.452  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  29 o ?       ?       -142.1404  102.719  -637.0013  334.556  -90.6353   107.933  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  30 o ?       ?       89.221     65.908   130.414    82.454   16.331     109.682  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  31 o ?       ?       71.342     60.289   50.431     72.133   119.802    109.811  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  32 o ?       ?       52.996     56.955   63.721     67.144   25.480     107.546  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -6  33 o ?       ?       -14.6861   56.369   -35.0517   67.054   34.386     104.086  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -5  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -5  7  o 8.7192  4.4302  24.659     50.337   0.0000     0.0000   24.659     50.337   ?       ?       8.7192  4.4302  0.000000       4.430225 
1 1 1 -33 -5  8  o 8.9278  4.5382  32.414     53.252   0.0000     0.0000   32.414     53.252   ?       ?       8.9278  4.5382  0.000000       4.538226 
1 1 1 -33 -5  9  o ?       ?       -23.6516   90.285   0.0000     0.0000   -23.6516   90.285   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  10 o ?       ?       188.386    79.520   0.0000     0.0000   188.386    79.520   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  11 o ?       ?       14.351     65.779   0.0000     0.0000   14.351     65.779   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  12 o ?       ?       123.882    92.440   0.0000     0.0000   123.882    92.440   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  13 o ?       ?       168.737    101.984  0.0000     0.0000   168.737    101.984  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  14 o ?       ?       18.179     87.796   0.0000     0.0000   18.179     87.796   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  15 o ?       ?       16.206     56.597   29.328     70.647   -7.3060    94.567   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  16 o ?       ?       1.9302     56.814   18.126     68.570   -33.5329   101.466  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  17 o 9.6547  4.8956  57.156     59.270   80.210     74.068   16.108     98.833   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  18 o ?       ?       -4.3869    58.025   -18.6870   73.365   19.502     94.823   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  19 o 9.5076  4.8073  44.465     54.435   135.966    76.550   -49.1334   77.422   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  20 o 9.3233  4.7245  35.411     54.614   10.535     77.667   59.742     76.812   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  21 o 10.456  5.2546  97.502     59.374   96.946     83.909   98.059     84.026   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  22 o ?       ?       10.413     75.399   0.7803     82.858   56.801     181.825  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  23 o ?       ?       138.661    81.400   132.445    89.345   169.024    197.452  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  24 o 9.9022  5.0217  79.792     62.501   49.893     89.209   108.618    87.593   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  25 o ?       ?       -77.1522   48.987   -8.8304    63.633   -176.5490  76.752   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  26 o ?       ?       -20.1628   53.115   -88.7828   68.405   84.032     84.291   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  27 o ?       ?       -44.2289   56.274   -15.3051   63.371   -152.0949  122.378  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  28 o ?       ?       -7.4082    111.339  -256.1822  343.082  21.876     117.710  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  29 o ?       ?       208.759    135.534  370.924    383.719  185.644    144.872  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  30 o ?       ?       110.511    66.020   114.900    80.205   101.289    116.264  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  31 o ?       ?       95.801     64.482   142.499    78.879   1.7250     111.957  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -5  32 o ?       ?       -43.0583   57.853   -22.1115   68.788   -93.6828   106.938  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -4  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -4  7  o ?       ?       12.659     55.056   0.0000     0.0000   12.659     55.056   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  8  o ?       ?       -26.9392   130.325  0.0000     0.0000   -26.9392   130.325  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  9  o ?       ?       -60.6704   58.166   0.0000     0.0000   -60.6704   58.166   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  10 o ?       ?       59.588     64.423   0.0000     0.0000   59.588     64.423   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  11 o ?       ?       -36.6851   82.146   0.0000     0.0000   -36.6851   82.146   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  12 o ?       ?       40.494     109.877  0.0000     0.0000   40.494     109.877  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  13 o ?       ?       29.408     91.274   0.0000     0.0000   29.408     91.274   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  14 o ?       ?       -101.9094  68.022   10.029     289.969  -108.4281  69.975   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  15 o 9.4259  4.7942  43.004     60.088   58.094     77.605   20.415     94.949   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  16 o ?       ?       25.600     60.316   4.4253     73.938   67.726     104.286  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  17 o 9.6660  4.9074  56.785     60.872   61.494     73.935   46.877     107.246  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  18 o ?       ?       -45.7173   57.958   -53.3945   69.179   -27.6402   106.154  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  19 o 9.1931  4.6693  26.407     55.529   15.140     79.785   36.993     77.333   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  20 o 9.3476  4.7486  36.152     57.611   10.887     83.102   59.530     79.939   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  21 o ?       ?       -66.7023   70.259   -41.8667   76.449   -201.7059  178.241  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  22 o ?       ?       -55.9129   73.466   -25.6561   79.672   -227.7519  189.868  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  23 o ?       ?       17.622     60.150   85.342     87.976   -41.8213   82.425   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  24 o ?       ?       -53.1955   53.375   -85.7022   70.725   -10.1849   81.353   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  25 o 9.4658  4.7912  46.563     55.090   34.802     71.976   63.199     85.602   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  26 o 9.5865  4.8696  61.592     60.520   86.137     73.966   11.876     105.268  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  27 o ?       ?       -198.5652  101.474  -32.2226   354.630  -213.3994  105.902  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  28 o ?       ?       51.663     118.201  68.470     371.131  49.766     124.694  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  29 o ?       ?       35.948     60.666   94.728     74.005   -84.4732   105.925  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  30 o ?       ?       4.6538     54.990   30.142     64.533   -62.9160   105.073  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  31 o ?       ?       -91.9299   55.807   -125.7412  66.014   -7.2414    104.477  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -4  32 f ?       ?       -10.1226   58.522   -61.6698   71.114   98.028     103.007  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  6  o ?       ?       34.529     62.515   0.0000     0.0000   34.529     62.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -3  8  o ?       ?       44.729     65.271   0.0000     0.0000   44.729     65.271   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  9  o ?       ?       -39.9382   59.865   0.0000     0.0000   -39.9382   59.865   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  10 o ?       ?       111.627    85.690   0.0000     0.0000   111.627    85.690   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  11 o ?       ?       8.1313     103.939  0.0000     0.0000   8.1313     103.939  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  12 o ?       ?       34.675     107.021  0.0000     0.0000   34.675     107.021  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  13 o ?       ?       -45.2804   69.750   7.4269     270.241  -49.0422   72.196   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  14 o ?       ?       0.3831     55.966   33.608     76.850   -37.1358   81.665   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  15 o 9.5901  4.8635  48.950     58.649   37.448     79.233   62.890     87.226   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  16 f ?       ?       45.105     64.014   -1.2581    79.467   130.788    108.031  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  17 o ?       ?       -18.1403   61.754   -32.2170   75.574   10.145     107.128  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  18 o ?       ?       9.8087     63.791   29.417     79.075   -26.7342   107.950  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  19 o ?       ?       46.927     62.610   14.778     81.168   94.158     98.382   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  20 o ?       ?       92.932     78.773   149.540    84.983   -252.4732  209.923  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  21 o ?       ?       58.539     84.048   1.6136     92.183   339.030    204.623  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  22 o ?       ?       69.064     85.571   58.330     93.813   122.226    208.777  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  23 o ?       ?       8.2000     58.836   126.055    82.031   -116.6666  84.436   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  24 o ?       ?       8.3761     54.251   -4.2157    70.625   26.501     84.733   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  25 o 9.8206  4.9909  76.657     64.124   77.758     78.613   74.468     110.848  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  26 o ?       ?       178.214    125.290  609.703    371.585  122.865    133.084  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  27 o ?       ?       124.540    121.829  252.418    351.856  107.121    129.861  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  28 o ?       ?       36.177     104.456  269.018    377.444  16.865     108.701  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  29 o ?       ?       5.8353     61.042   -5.2438    74.327   28.792     106.991  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  30 o ?       ?       8.8207     59.824   58.247     71.237   -109.4311  110.187  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  31 o ?       ?       -3.2093    63.044   -6.2692    76.714   3.1562     110.648  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -3  32 o ?       ?       -35.1451   61.024   -54.6059   73.362   8.5645     109.945  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  5  o ?       ?       31.574     63.095   0.0000     0.0000   31.574     63.095   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -2  7  o ?       ?       123.656    151.788  0.0000     0.0000   123.656    151.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  8  o ?       ?       -27.4211   57.475   0.0000     0.0000   -27.4211   57.475   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  9  o ?       ?       47.797     80.776   0.0000     0.0000   47.797     80.776   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  10 o ?       ?       103.953    86.756   0.0000     0.0000   103.953    86.756   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  11 o ?       ?       -30.4555   99.269   0.0000     0.0000   -30.4555   99.269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  12 o ?       ?       -105.2150  83.931   -97.2594   201.850  -106.8780  92.287   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  13 o 9.3809  4.7517  34.952     54.846   -21.0271   76.029   95.690     79.195   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  14 o 10.173  5.1360  80.850     60.465   61.748     84.004   101.386    87.101   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  15 o 9.7000  4.9140  53.289     58.792   30.435     81.444   78.157     84.958   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  16 o ?       ?       -61.5811   61.746   -117.8401  75.662   50.586     106.836  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  17 o ?       ?       -101.2306  57.694   -121.1094  69.687   -57.9141   102.868  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  18 o ?       ?       -23.3645   61.473   15.377     75.228   -101.2257  106.648  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  19 o ?       ?       31.345     67.210   10.626     83.600   69.208     113.016  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  20 o ?       ?       3.4896     81.244   -9.0023    88.802   67.645     201.245  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  21 o ?       ?       7.3016     78.486   -31.5588   85.649   210.926    196.057  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  22 o ?       ?       -0.1615    57.304   70.969     82.368   -66.8829   79.774   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  23 o ?       ?       -48.6659   47.180   -22.4838   66.031   -75.9741   67.436   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  24 f ?       ?       -30.4945   55.562   -53.0534   71.187   4.6719     88.880   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  25 o ?       ?       33.735     65.097   21.583     76.796   64.757     122.701  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  26 o ?       ?       16.491     112.369  -278.9301  360.860  48.212     118.248  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  27 o ?       ?       47.784     119.337  331.734    371.404  15.094     126.019  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  28 o ?       ?       -10.6479   58.807   -53.1998   74.018   62.182     96.836   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  29 o ?       ?       38.924     59.894   21.541     75.237   69.002     98.965   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  30 o ?       ?       32.044     59.108   -4.8808    73.511   99.583     99.420   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  31 o ?       ?       -24.0179   56.908   -28.7246   68.946   -13.9568   100.803  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -2  32 o ?       ?       30.951     61.792   77.127     78.859   -42.4950   99.455   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 -1  4  o ?       ?       24.386     67.227   0.0000     0.0000   24.386     67.227   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  5  o ?       ?       -49.2808   134.364  0.0000     0.0000   -49.2808   134.364  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  6  o ?       ?       -405.7338  102.646  0.0000     0.0000   -405.7338  102.646  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  7  o ?       ?       -36.6219   61.184   0.0000     0.0000   -36.6219   61.184   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  8  o ?       ?       78.094     83.798   0.0000     0.0000   78.094     83.798   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  9  o ?       ?       44.835     80.447   0.0000     0.0000   44.835     80.447   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  10 o ?       ?       54.486     96.167   0.0000     0.0000   54.486     96.167   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  11 o ?       ?       18.807     100.236  0.0000     0.0000   18.807     100.236  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  12 o ?       ?       -39.9573   54.208   -60.7599   67.288   -1.4920    91.499   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  13 o 9.8007  4.9550  57.481     57.719   46.258     78.707   70.540     84.899   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  14 f 9.6083  4.8794  49.076     60.462   111.714    82.991   -21.7771   88.265   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  15 o ?       ?       -11.6940   55.713   -6.2734    76.063   -17.9683   81.834   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  16 o ?       ?       58.474     65.368   0.3313     87.758   130.939    97.971   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  17 o ?       ?       29.849     62.633   -4.9156    80.612   82.804     99.492   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  18 o ?       ?       -11.6755   56.130   -12.2014   67.853   -10.5356   99.898   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  19 o 10.675  5.4176  139.020    73.667   105.172    81.698   286.239    170.383  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  20 o ?       ?       24.707     63.178   6.7161     68.693   123.451    160.930  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  21 o 9.8329  4.9588  57.216     55.496   73.983     75.435   37.437     81.931   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  22 o ?       ?       4.5780     53.267   -35.6736   74.523   46.625     76.166   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  23 o ?       ?       -12.7392   55.178   -40.1655   72.264   25.609     85.451   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  24 o 10.116  5.1205  88.649     62.996   -0.8125    82.454   214.093    97.638   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  25 o ?       ?       127.570    109.434  345.688    310.069  96.534     116.961  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  26 o ?       ?       49.414     120.023  151.351    338.916  34.796     128.340  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  27 o 9.6265  4.8948  70.545     62.295   17.088     76.562   175.259    107.155  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  28 o 10.641  5.3822  152.396    68.717   156.102    88.850   146.879    108.403  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  29 o ?       ?       12.480     62.250   -5.8009    78.474   43.508     102.237  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  30 o ?       ?       -92.5575   52.717   -78.3753   64.423   -121.3000  91.713   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 -1  31 f ?       ?       -35.2081   56.981   -56.4864   71.266   2.5041     94.875   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 0   4  o ?       ?       -118.9511  129.717  0.0000     0.0000   -118.9511  129.717  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   5  o ?       ?       73.702     152.277  0.0000     0.0000   73.702     152.277  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   6  f ?       ?       7.6817     66.230   0.0000     0.0000   7.6817     66.230   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   7  o ?       ?       -64.1507   87.504   0.0000     0.0000   -64.1507   87.504   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   8  o ?       ?       163.547    88.341   0.0000     0.0000   163.547    88.341   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   9  o ?       ?       -36.8968   86.963   0.0000     0.0000   -36.8968   86.963   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   10 o ?       ?       -38.0394   94.642   0.0000     0.0000   -38.0394   94.642   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   11 o ?       ?       -10.4945   58.162   -14.0631   74.459   -4.9093    93.152   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   12 o 9.2889  4.7247  29.980     58.392   84.079     76.530   -45.3972   90.335   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   13 o 9.4722  4.7999  38.533     56.355   62.170     77.373   11.826     82.245   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   14 o 9.6368  4.8467  42.262     51.075   27.725     66.193   63.651     80.292   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   15 o ?       ?       -32.1784   49.475   -44.4990   63.811   -13.6097   78.338   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   16 o ?       ?       -18.2589   51.168   -75.5724   66.790   63.169     79.611   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   17 o ?       ?       -20.2253   53.132   6.7522     62.882   -87.5529   99.340   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   18 o ?       ?       -36.1102   58.785   -23.0034   63.415   -116.1686  156.728  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   19 o ?       ?       -3.4385    62.666   -40.7361   67.699   219.767    165.613  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   20 o 9.5086  4.8225  42.126     57.732   63.578     68.156   -12.3615   108.621  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   21 o ?       ?       -26.4079   48.588   -28.1545   61.943   -23.6143   78.338   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   22 o ?       ?       -12.8370   55.391   -75.0191   76.161   56.990     80.707   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   23 o ?       ?       -102.0632  54.361   -91.6503   69.661   -118.2804  86.934   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   24 o ?       ?       97.954     106.497  87.740     303.881  99.384     113.709  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   25 o ?       ?       138.820    112.653  515.891    312.831  82.637     120.754  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   26 o ?       ?       146.308    99.445   -129.4752  318.147  176.171    104.691  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   27 o ?       ?       -43.2469   57.167   -61.3441   71.136   -10.2472   96.059   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   28 o 9.8269  4.9961  95.924     64.751   90.924     81.258   104.622    107.175  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   29 o ?       ?       -0.0309    60.548   48.902     77.903   -74.6937   96.228   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   30 o ?       ?       98.276     65.738   114.310    82.216   69.857     109.458  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 0   31 o ?       ?       -75.8508   60.338   -48.6103   76.545   -120.5564  98.059   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 1   3  o ?       ?       -34.3364   139.909  0.0000     0.0000   -34.3364   139.909  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   4  o ?       ?       -110.1968  142.811  0.0000     0.0000   -110.1968  142.811  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   5  o ?       ?       60.885     68.505   0.0000     0.0000   60.885     68.505   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   6  o ?       ?       21.698     93.547   0.0000     0.0000   21.698     93.547   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   7  o ?       ?       61.117     98.021   0.0000     0.0000   61.117     98.021   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   8  o ?       ?       35.115     92.985   0.0000     0.0000   35.115     92.985   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   9  o ?       ?       145.476    108.336  0.0000     0.0000   145.476    108.336  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   10 o ?       ?       -115.9225  66.471   -512.9739  277.810  -91.8117   68.459   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   11 o 8.9794  4.5438  13.762     49.327   24.131     60.496   -6.8074    85.205   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   12 o 9.4737  4.7852  37.085     52.881   44.740     65.000   22.100     90.939   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   13 o ?       ?       -22.4421   50.694   -52.1214   64.130   26.994     82.767   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   14 o ?       ?       -9.9421    51.210   -49.2498   66.941   45.519     79.514   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   15 o 9.4655  4.7860  36.023     53.954   14.669     70.098   67.064     84.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   16 o ?       ?       -19.3278   52.643   -64.9219   70.508   38.105     79.134   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   17 o ?       ?       122.869    75.513   76.434     83.541   330.251    176.546  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   18 o ?       ?       36.840     64.212   65.375     69.306   -136.1412  170.641  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   19 o ?       ?       -39.0565   61.360   -52.2230   65.930   46.159     167.729  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   20 o ?       ?       7.4113     59.374   26.177     71.813   -33.1281   105.549  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   21 o ?       ?       -83.7611   49.126   -86.3240   66.107   -80.6001   73.415   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   22 f 9.4823  4.8173  45.460     59.360   115.549    77.596   -53.4215   92.166   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   23 o 10.054  5.1140  95.858     68.403   63.505     85.456   153.553    114.117  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   24 o ?       ?       135.895    118.564  0.0000     0.0000   135.895    118.564  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   25 o ?       ?       -43.6648   106.157  0.0000     0.0000   -43.6648   106.157  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   26 o ?       ?       26.921     60.039   32.847     77.061   17.767     95.772   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   27 o ?       ?       87.831     65.870   73.874     86.983   106.594    100.858  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   28 o ?       ?       -12.0163   57.667   -16.2349   71.689   -4.2818    97.071   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   29 o ?       ?       17.149     64.917   49.644     82.561   -35.4758   105.066  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 1   30 o ?       ?       -20.1933   61.174   -25.1162   79.000   -12.8206   96.678   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 2   2  o ?       ?       -174.8337  133.112  0.0000     0.0000   -174.8337  133.112  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   3  o ?       ?       -301.7203  132.199  0.0000     0.0000   -301.7203  132.199  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   4  o ?       ?       -25.9805   65.171   0.0000     0.0000   -25.9805   65.171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   5  o ?       ?       -88.3411   59.545   0.0000     0.0000   -88.3411   59.545   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   6  o ?       ?       34.732     86.654   0.0000     0.0000   34.732     86.654   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   7  o ?       ?       155.332    127.416  0.0000     0.0000   155.332    127.416  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   8  o ?       ?       32.262     95.297   0.0000     0.0000   32.262     95.297   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   9  o ?       ?       -183.0573  69.371   335.702    271.366  -219.3285  71.755   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   10 o ?       ?       -75.0490   44.826   -110.3671  55.149   -6.2854    76.952   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   11 o 10.607  5.3101  95.095     57.806   85.831     72.167   111.680    96.560   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   12 o ?       ?       42.671     61.509   95.120     66.462   -270.3966  162.376  10.234  5.1888  ?       ?       0.000000       5.188797 
1 1 1 -33 2   13 o 10.234  5.1481  77.613     57.798   115.076    71.293   5.7743     98.724   10.396  5.2812  ?       ?       0.000000       5.281169 
1 1 1 -33 2   14 o 11.101  5.5218  113.869    58.286   40.720     76.910   212.570    89.339   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   15 o ?       ?       3.5472     54.088   -46.0093   69.233   81.171     86.649   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   16 o ?       ?       -35.9811   65.103   -30.0532   69.911   -74.6836   178.635  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   17 o ?       ?       8.7566     76.366   12.171     83.601   -8.4468    187.662  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   18 o ?       ?       170.954    88.118   137.211    97.483   321.695    206.039  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   19 o ?       ?       64.455     72.515   83.461     91.774   32.869     118.310  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   20 o ?       ?       45.502     62.193   41.503     84.992   50.111     91.251   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   21 o ?       ?       -37.4762   56.552   -33.9860   79.823   -40.9935   80.132   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   22 o ?       ?       -18.6689   59.197   -27.8158   81.658   -8.5374    85.941   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   23 o ?       ?       -42.6359   97.151   -198.0485  286.250  -22.4037   103.281  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   24 o ?       ?       183.816    116.178  211.038    311.459  179.416    125.215  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   25 f ?       ?       70.625     67.931   125.685    92.296   5.5421     100.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   26 o ?       ?       -2.1269    66.207   -113.8004  91.878   118.494    95.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   27 o ?       ?       9.4841     65.814   78.540     89.186   -73.0796   97.520   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   28 o ?       ?       14.040     62.743   10.081     82.078   19.606     97.320   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   29 o ?       ?       36.500     62.927   62.556     84.151   3.4469     94.778   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 2   30 o ?       ?       -71.7854   61.670   -106.5212  77.455   -11.6306   101.929  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 3   2  o ?       ?       167.558    181.232  0.0000     0.0000   167.558    181.232  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   3  o ?       ?       -76.0822   72.127   0.0000     0.0000   -76.0822   72.127   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   4  o ?       ?       -13.4772   55.843   0.0000     0.0000   -13.4772   55.843   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   5  o ?       ?       117.616    70.355   0.0000     0.0000   117.616    70.355   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   6  o ?       ?       -0.8992    114.366  0.0000     0.0000   -0.8992    114.366  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   7  o ?       ?       -5.5247    119.744  0.0000     0.0000   -5.5247    119.744  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   8  o ?       ?       -42.8986   78.950   0.0000     0.0000   -42.8986   78.950   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   9  o ?       ?       -23.5922   51.557   -31.8328   66.538   -11.2109   81.560   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   10 o ?       ?       -28.0211   50.585   17.560     63.726   -105.6668  83.173   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   11 o 9.7502  4.9459  60.014     60.901   79.973     77.976   28.796     97.521   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   12 o ?       ?       47.544     64.550   62.243     86.374   28.950     97.148   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   13 o ?       ?       -13.4845   62.608   95.508     82.316   -163.0676  96.433   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   14 o ?       ?       1.8896     62.086   -30.7870   89.340   32.410     86.342   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   15 o ?       ?       -32.2015   61.954   -20.6583   89.918   -42.6341   85.483   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   16 o ?       ?       -62.4798   83.277   -70.4229   92.953   -30.1744   187.459  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   17 o ?       ?       103.787    90.594   105.064    101.129  98.595     203.854  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   18 o ?       ?       65.124     72.733   132.290    94.107   -34.5140   114.619  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   19 o ?       ?       -0.0968    66.321   -26.0039   83.065   45.461     110.152  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   20 o ?       ?       -98.6090   53.283   -245.0232  76.094   42.242     74.635   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   21 o ?       ?       5.3750     60.749   -24.5408   85.249   36.241     86.592   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   22 o ?       ?       98.895     96.456   -311.7466  245.317  173.988    104.905  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   23 o ?       ?       68.116     105.272  0.0000     0.0000   68.116     105.272  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   24 o 10.405  5.2886  140.465    72.138   182.312    97.850   90.641     106.770  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   25 o ?       ?       29.109     63.977   39.919     88.056   17.022     93.110   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   26 o ?       ?       -7.5300    62.192   63.712     81.122   -109.0996  96.862   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   27 o ?       ?       78.555     65.710   46.673     88.982   116.794    97.449   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   28 o ?       ?       31.316     64.898   39.851     85.207   19.524     100.153  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 3   29 o ?       ?       -36.2501   61.497   -11.9101   80.362   -70.6474   95.532   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   2  o ?       ?       59.079     86.313   0.0000     0.0000   59.079     86.313   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   3  o ?       ?       79.348     93.763   0.0000     0.0000   79.348     93.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   4  o ?       ?       -60.6958   52.331   0.0000     0.0000   -60.6958   52.331   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   5  f ?       ?       12.373     69.367   0.0000     0.0000   12.373     69.367   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 4   7  o ?       ?       -16.7463   98.633   0.0000     0.0000   -16.7463   98.633   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   8  o 10.046  5.0899  86.293     63.179   90.009     88.146   82.368     90.601   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   9  o ?       ?       37.818     62.900   64.936     89.570   11.432     88.352   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   10 o 10.305  5.2293  109.115    68.570   241.389    96.924   -23.4284   97.022   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   11 o ?       ?       77.205     69.493   140.846    94.887   3.5791     102.060  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   12 f ?       ?       -47.9307   61.729   -74.4054   82.400   -14.0690   93.189   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   13 o ?       ?       28.231     66.509   30.042     89.047   25.947     100.023  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   14 o ?       ?       26.009     69.654   -55.8526   92.186   134.925    106.333  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   15 o ?       ?       49.004     92.204   120.809    103.917  -216.7277  199.907  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   16 o ?       ?       -43.6179   83.283   -61.5342   91.960   38.110     196.408  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   17 o ?       ?       -25.6847   62.553   -79.5411   91.980   20.657     85.322   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   18 o ?       ?       56.605     69.036   120.460    90.402   -32.7300   106.928  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   19 o ?       ?       42.399     63.889   114.703    93.469   -21.0063   87.528   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   20 o ?       ?       28.015     61.716   37.802     87.274   18.225     87.284   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   21 o ?       ?       32.115     91.965   -66.2782   235.973  49.736     99.861   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   22 o ?       ?       -5.9725    92.111   43.002     257.256  -13.1744   98.651   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   23 o ?       ?       -72.1600   58.630   -43.1863   82.737   -101.3851  83.095   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   24 o ?       ?       -37.1505   60.458   -35.3425   85.505   -38.9581   85.496   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   25 o ?       ?       66.175     65.449   62.586     88.819   70.440     96.815   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   26 o ?       ?       19.066     65.036   -9.7781    85.500   58.670     100.187  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   27 f ?       ?       42.277     67.460   9.5357     93.996   77.054     96.874   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 4   28 o ?       ?       7.2543     63.241   42.317     85.581   -34.9238   93.864   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   1  o ?       ?       176.585    97.332   0.0000     0.0000   176.585    97.332   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   2  o ?       ?       58.372     99.989   0.0000     0.0000   58.372     99.989   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   3  f ?       ?       -58.2808   85.744   0.0000     0.0000   -58.2808   85.744   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   4  o ?       ?       -28.9833   59.420   0.0000     0.0000   -28.9833   59.420   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 5   6  o ?       ?       -20.0250   97.268   0.0000     0.0000   -20.0250   97.268   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   7  o ?       ?       37.250     95.513   117.386    236.783  21.677     104.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   8  o ?       ?       -40.7144   60.575   -62.5767   87.738   -20.8027   83.733   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   9  o 10.346  5.2494  116.611    68.843   101.101    98.597   131.365    96.166   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   10 o ?       ?       -12.1645   62.020   3.6341     88.123   -27.6707   87.303   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   11 o ?       ?       14.498     65.990   -24.6566   90.420   59.120     96.526   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   12 o ?       ?       -13.8095   66.675   -55.3626   87.612   43.377     102.780  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   13 o ?       ?       50.937     70.489   130.891    93.235   -55.7365   107.693  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   14 o ?       ?       18.050     90.090   114.705    102.935  -298.3268  186.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   15 o ?       ?       39.180     94.049   134.361    106.271  -304.6935  201.994  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   16 o ?       ?       -1.7299    67.265   7.4362     98.295   -9.8028    92.247   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   17 o ?       ?       11.738     63.808   28.866     87.223   -7.9823    93.590   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   18 o ?       ?       -95.1357   58.161   -134.9386  81.263   -53.3342   83.278   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   19 f 10.645  5.3882  138.775    69.695   144.892    98.588   132.665    98.538   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   20 o ?       ?       -102.4363  81.840   -131.5870  234.565  -98.3959   87.328   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   21 o ?       ?       61.929     97.594   215.521    256.824  36.007     105.508  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   22 f ?       ?       -25.0528   77.931   191.931    240.850  -50.4265   82.362   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   23 o ?       ?       97.874     68.496   88.951     96.868   106.797    96.869   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   24 o ?       ?       43.885     64.468   77.229     93.101   13.170     89.356   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   25 o ?       ?       108.816    68.265   90.657     93.218   129.816    100.248  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   26 o ?       ?       22.846     66.989   -26.1562   88.767   87.671     102.098  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 5   27 o ?       ?       67.333     68.212   63.939     92.515   71.375     100.973  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   1  o ?       ?       74.572     96.888   0.0000     0.0000   74.572     96.888   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   2  o ?       ?       -0.8472    119.574  0.0000     0.0000   -0.8472    119.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   3  o ?       ?       73.544     85.315   0.0000     0.0000   73.544     85.315   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 6   5  o ?       ?       -43.7739   71.014   0.0000     0.0000   -43.7739   71.014   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   6  o ?       ?       -51.1521   97.913   0.0000     0.0000   -51.1521   97.913   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   7  o ?       ?       -56.0929   65.106   -25.0133   84.421   -101.7086  102.275  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   8  f 10.055  5.1114  101.017    67.652   104.152    97.733   98.133     93.740   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   9  o ?       ?       -5.0603    62.523   69.043     87.959   -80.7441   88.891   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   10 o ?       ?       14.150     59.432   1.3701     81.039   29.022     87.422   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   11 o ?       ?       -93.8314   52.612   -68.2734   65.460   -140.4673  88.424   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   12 o ?       ?       -42.7171   57.102   -84.3131   70.897   34.091     96.340   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   13 o ?       ?       -5.2969    70.705   1.8748     76.622   -46.4227   183.486  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   14 o ?       ?       92.272     79.823   80.868     87.289   150.511    197.265  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   15 o ?       ?       -45.9018   54.659   -114.8871  71.617   50.344     84.591   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   16 o ?       ?       33.881     70.627   16.724     113.887  44.602     90.030   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   17 o ?       ?       66.941     74.731   194.726    119.358  -15.4508   95.842   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   18 o ?       ?       23.868     75.267   12.111     117.883  31.960     97.796   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   19 o ?       ?       60.808     107.813  520.574    330.164  5.9311     114.066  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   20 o ?       ?       149.743    102.755  84.451     271.028  160.704    111.045  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   21 o ?       ?       -94.5505   83.895   -70.4268   229.108  -98.2861   90.157   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   22 o ?       ?       60.529     72.772   -34.6551   109.996  134.621    97.047   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   23 o ?       ?       -19.3980   65.421   -67.9017   100.871  15.816     85.948   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   24 o ?       ?       36.702     71.261   24.090     109.209  46.054     94.040   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   25 o ?       ?       -44.5248   64.123   -53.6064   95.220   -36.9887   86.740   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   26 o ?       ?       74.062     77.385   102.576    107.140  42.963     111.893  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 6   27 o ?       ?       6.6420     68.628   -9.8866    92.116   27.260     102.883  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   1  o ?       ?       189.375    110.387  0.0000     0.0000   189.375    110.387  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   2  o ?       ?       253.523    138.400  0.0000     0.0000   253.523    138.400  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -33 7   4  o ?       ?       -18.1129   61.702   0.0000     0.0000   -18.1129   61.702   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   5  o ?       ?       -72.2463   72.380   0.0000     0.0000   -72.2463   72.380   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   6  o ?       ?       42.205     58.339   84.917     70.359   -51.7673   104.362  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   7  o ?       ?       4.3836     57.690   -65.1269   69.843   153.651    102.348  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   8  o 9.9007  5.0176  83.365     61.703   33.279     80.785   153.501    95.597   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   9  o 9.5063  4.8245  54.840     58.428   32.369     76.365   86.569     90.741   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   10 o ?       ?       5.3880     56.412   34.244     72.639   -38.4608   89.543   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   11 o ?       ?       -31.6857   57.504   -53.8011   72.822   4.9476     93.724   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   12 o ?       ?       87.895     78.814   110.203    86.029   -28.6064   196.598  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   13 o ?       ?       93.356     81.951   119.943    88.759   -60.2850   213.368  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   14 o ?       ?       -43.7962   58.687   -21.3001   71.528   -90.1346   102.658  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   15 o ?       ?       155.019    78.609   166.995    118.464  145.598    105.076  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   16 o ?       ?       82.515     73.286   21.890     113.974  125.249    95.690   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   17 o ?       ?       85.065     76.908   34.036     115.521  125.688    103.070  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   18 f ?       ?       56.337     106.148  204.602    320.583  38.081     112.493  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   19 o ?       ?       133.430    110.575  108.161    315.457  136.970    118.066  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   20 o ?       ?       -342.0814  67.912   -594.0886  281.879  -326.5522  69.973   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   21 o ?       ?       -13.7294   65.564   8.2765     102.600  -28.9182   85.239   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   22 o ?       ?       -64.6304   66.676   -4.3032    107.736  -102.0811  84.885   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   23 o ?       ?       157.309    78.679   214.379    114.051  105.487    108.681  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   24 o ?       ?       154.068    79.766   1.0876     118.746  279.856    107.677  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   25 o ?       ?       161.390    82.264   178.281    114.290  143.232    118.501  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 7   26 o ?       ?       -23.7520   73.893   25.526     98.555   -87.0204   111.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   1  o ?       ?       62.192     123.673  0.0000     0.0000   62.192     123.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   2  o ?       ?       -77.1057   119.973  0.0000     0.0000   -77.1057   119.973  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   3  f ?       ?       71.268     67.287   0.0000     0.0000   71.268     67.287   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   4  o ?       ?       81.314     72.384   0.0000     0.0000   81.314     72.384   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   5  o ?       ?       25.223     76.730   -70.2526   248.496  35.285     80.672   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   6  o 10.611  5.3632  146.974    67.204   149.401    83.869   142.620    112.330  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   7  o ?       ?       22.284     62.581   43.416     77.111   -18.4933   107.114  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   8  o ?       ?       22.244     58.893   32.672     75.058   5.5396     94.994   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   9  o 10.919  5.5009  156.242    67.293   103.367    91.481   218.586    99.336   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   10 o ?       ?       31.715     60.136   26.507     79.209   38.801     92.397   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   11 o ?       ?       182.845    89.408   204.501    97.681   70.995     221.994  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   12 o ?       ?       48.976     78.994   59.658     85.864   -9.8811    201.552  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   13 o ?       ?       23.131     62.060   49.310     78.955   -19.1894   100.388  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   14 o ?       ?       86.151     76.971   155.396    110.641  21.207     107.149  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   15 f ?       ?       -0.5658    73.679   -74.9195   104.898  71.834     103.511  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   16 o ?       ?       55.943     75.252   77.127     114.820  39.993     99.634   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   17 o ?       ?       8.2181     93.593   126.897    298.056  -4.7641    98.580   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   18 o ?       ?       27.425     103.687  265.986    305.557  -3.6202    110.227  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   19 o ?       ?       -133.3847  86.805   -63.7842   322.501  -138.8209  90.131   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   20 o ?       ?       95.143     81.567   124.408    121.906  71.423     109.754  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   21 o ?       ?       167.115    79.911   102.290    134.178  202.746    99.477   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   22 o ?       ?       79.786     77.416   70.025     117.785  87.210     102.719  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   23 f ?       ?       61.227     74.446   181.862    116.576  -21.8493   96.741   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   24 o ?       ?       69.890     74.668   87.530     112.092  55.818     100.115  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 8   25 o ?       ?       99.792     82.286   145.289    112.258  46.960     120.970  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   1  o ?       ?       72.211     106.078  0.0000     0.0000   72.211     106.078  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   2  o ?       ?       -21.6768   103.185  0.0000     0.0000   -21.6768   103.185  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   3  o ?       ?       -70.3510   56.880   0.0000     0.0000   -70.3510   56.880   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   4  o ?       ?       33.537     69.524   0.0000     0.0000   33.537     69.524   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   5  o ?       ?       -9.5338    57.231   -95.9465   74.496   114.918    89.402   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   6  o ?       ?       53.340     63.419   23.536     78.751   108.335    106.973  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   7  o ?       ?       -47.6045   57.295   -78.2888   68.458   24.149     104.685  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   8  o ?       ?       -84.2625   59.263   -126.5751  75.061   -14.2326   96.566   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   9  o ?       ?       -16.6538   70.803   -22.3262   75.771   22.396     198.805  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   10 o ?       ?       145.069    91.067   88.857     99.651   429.830    224.288  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   11 o ?       ?       59.517     86.242   16.925     93.658   296.983    221.147  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   12 o ?       ?       33.187     67.633   -0.0009    86.849   84.326     107.808  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   13 o ?       ?       122.401    76.536   96.045     109.084  147.954    107.412  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   14 o ?       ?       -21.0653   90.159   20.668     100.342  -195.9431  205.403  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   15 o 12.144  6.1352  341.610    87.203   386.499    129.963  304.850    117.608  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   16 o ?       ?       136.374    108.067  191.666    264.201  125.264    118.427  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   17 o ?       ?       -86.8391   95.135   53.753     310.493  -101.4054  99.942   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   18 o ?       ?       -3.2898    95.902   127.016    323.417  -15.8519   100.418  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   19 f ?       ?       -62.3625   71.944   -15.9049   116.297  -91.1631   91.567   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   20 o ?       ?       77.138     80.517   87.306     121.778  69.240     107.324  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   21 o ?       ?       1.8357     75.740   -48.3602   111.790  44.428     102.976  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   22 o ?       ?       -5.3865    67.042   -105.5755  106.781  59.807     86.136   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   23 o ?       ?       117.771    75.785   155.730    114.569  88.240     101.052  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 9   24 o ?       ?       18.502     74.499   125.076    102.700  -99.8660   108.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  1  o ?       ?       -73.5308   102.382  0.0000     0.0000   -73.5308   102.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  2  o ?       ?       24.911     127.919  0.0000     0.0000   24.911     127.919  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  3  o ?       ?       -14.3599   64.696   0.0000     0.0000   -14.3599   64.696   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  4  o ?       ?       80.104     74.161   384.625    257.926  52.659     77.431   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  5  o ?       ?       21.634     64.390   23.413     87.305   19.511     95.348   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  6  o ?       ?       60.669     70.993   86.011     85.208   3.1498     128.372  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  7  o ?       ?       -106.2641  60.063   -114.2663  75.669   -92.6358   98.750   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  8  o ?       ?       13.657     78.692   -12.8395   85.827   153.443    197.133  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  9  o ?       ?       157.001    95.738   68.276     106.546  528.958    218.154  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  10 o ?       ?       94.102     88.653   78.924     97.493   166.599    213.068  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  11 o ?       ?       -130.7724  56.861   -161.7223  76.741   -93.0980   84.669   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  12 o ?       ?       -105.2835  63.532   -95.8508   77.389   -124.7815  111.263  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  13 o ?       ?       49.355     69.595   35.771     89.483   70.152     110.720  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  14 f ?       ?       61.854     70.219   45.988     91.890   84.123     108.864  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  15 o ?       ?       -81.8086   96.772   -44.2251   224.067  -90.4264   107.295  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  16 o ?       ?       29.612     105.800  -483.6191  240.027  153.372    117.868  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  17 o ?       ?       -86.8972   84.702   -266.0460  296.143  -70.9360   88.395   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  18 o ?       ?       55.500     66.980   52.868     89.345   58.877     101.210  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  19 o ?       ?       96.206     70.419   121.972    100.235  71.096     98.951   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  20 o ?       ?       -67.2590   63.572   -24.2752   93.425   -104.3240  86.755   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  21 o ?       ?       15.733     70.698   4.5651     102.901  25.717     97.298   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 10  22 f ?       ?       47.319     75.748   60.660     110.866  35.639     103.736  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  1  o ?       ?       100.129    112.482  0.0000     0.0000   100.129    112.482  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  2  o ?       ?       178.264    119.664  0.0000     0.0000   178.264    119.664  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  3  o ?       ?       127.152    84.549   0.0000     0.0000   127.152    84.549   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  4  o ?       ?       73.616     62.317   77.238     92.950   70.659     83.989   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  5  o ?       ?       48.772     65.931   73.657     87.899   16.760     99.694   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  6  f ?       ?       -45.7172   69.940   -105.5301  83.567   94.142     127.786  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  7  f ?       ?       114.504    102.012  114.504    102.012  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  8  o ?       ?       166.441    107.975  166.441    107.975  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  9  o ?       ?       64.229     91.935   74.041     100.429  13.471     228.418  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  10 o ?       ?       12.301     67.235   30.694     93.134   -7.7175    97.164   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  11 o ?       ?       -101.0351  59.653   -29.6647   78.737   -197.1971  91.394   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  12 o ?       ?       -36.1418   62.958   -11.0569   85.272   -66.2029   93.347   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  13 o ?       ?       25.096     68.148   -24.4375   88.970   95.411     106.004  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  14 o ?       ?       105.187    106.619  0.0043     237.620  131.701    119.302  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  15 f ?       ?       -39.3076   100.419  -11.9423   230.422  -45.7235   111.572  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  16 o ?       ?       -15.4939   97.564   142.127    236.997  -47.6564   107.056  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  17 o ?       ?       78.835     70.872   74.820     95.090   83.852     106.301  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  18 o ?       ?       33.186     69.509   110.479    95.868   -52.4833   100.928  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  19 o ?       ?       10.960     66.157   35.508     93.930   -13.2056   93.195   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  20 f ?       ?       11.950     66.361   -89.6289   94.076   112.554    93.623   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 11  21 o ?       ?       -75.4335   59.956   -34.7203   81.245   -124.1208  88.846   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  1  o ?       ?       13.978     106.065  0.0000     0.0000   13.978     106.065  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  2  o ?       ?       170.589    117.954  0.0000     0.0000   170.589    117.954  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  3  o ?       ?       18.687     53.385   7.0533     89.026   25.220     66.710   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  4  o ?       ?       44.183     58.249   3.0784     93.945   69.855     74.242   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  5  o ?       ?       31.454     61.342   -63.4062   87.730   122.191    85.803   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  6  f ?       ?       75.707     91.829   94.841     99.231   -38.3873   242.313  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  7  o ?       ?       -2.3211    88.314   -29.0713   95.085   165.698    238.301  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  8  f ?       ?       24.707     75.526   62.680     97.483   -32.3133   119.455  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  9  o ?       ?       33.189     65.355   118.331    89.928   -62.1131   95.143   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  10 o ?       ?       -14.5465   64.179   -88.9834   88.160   69.377     93.610   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  11 o ?       ?       24.382     67.846   -61.0459   93.250   120.470    98.897   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  12 o ?       ?       -37.8336   63.584   -65.8933   86.418   -4.7124    93.889   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  13 o ?       ?       -58.1819   97.740   -108.9345  257.722  -49.6561   105.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  14 o ?       ?       -72.6745   97.089   366.606    225.293  -172.8607  107.592  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  15 o ?       ?       40.404     97.950   283.665    239.536  -8.4398    107.334  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  16 o ?       ?       -13.9318   66.174   -86.0463   85.738   92.323     104.072  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  17 o ?       ?       20.069     66.614   -36.2486   87.395   98.151     102.907  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  18 o ?       ?       79.796     68.078   34.253     93.519   131.134    99.292   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  19 o ?       ?       180.316    75.316   174.570    107.069  185.943    105.967  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 12  20 o ?       ?       -11.5897   64.451   -105.3189  88.277   95.403     94.316   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  2  o ?       ?       73.867     104.802  -252.8258  278.826  127.614    113.094  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  3  o ?       ?       -1.1958    54.472   3.6790     91.873   -3.8385    67.645   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  4  o ?       ?       38.133     97.305   38.133     97.305   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  5  o ?       ?       -2.2640    95.805   -89.3296   104.172  475.334    243.982  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  6  o ?       ?       22.868     96.701   -48.6373   105.997  377.706    236.125  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  7  o ?       ?       65.328     80.187   28.711     110.655  105.821    116.365  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  8  o ?       ?       104.300    76.590   118.381    98.921   83.225     121.018  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  9  o ?       ?       75.450     69.520   104.208    97.149   45.266     99.527   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  10 o ?       ?       5.0910     67.945   -4.7993    95.070   15.417     97.140   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  11 o ?       ?       -0.7934    70.221   -19.2978   92.373   24.540     108.083  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  12 o ?       ?       166.259    113.787  135.767    334.143  170.259    121.020  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  13 o ?       ?       74.783     106.835  -364.2842  304.242  136.539    114.101  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  14 f ?       ?       5.2303     68.042   -2.1271    90.485   14.804     103.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  15 o ?       ?       -8.4347    68.611   -120.9903  90.853   140.952    104.667  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  16 o ?       ?       -112.5570  64.270   -161.5022  84.253   -44.4383   99.394   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  17 o ?       ?       99.599     72.603   110.417    93.649   83.304     114.943  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 13  18 o ?       ?       113.579    74.004   241.059    100.050  -40.4192   109.965  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  3  o ?       ?       -147.1044  89.115   -156.9167  96.675   -91.6224   229.880  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  4  o ?       ?       67.651     99.420   100.941    107.809  -121.6416  257.078  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  5  f ?       ?       129.198    105.052  206.194    115.720  -231.5960  250.498  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  6  o ?       ?       -1.9528    73.974   -14.9126   97.860   15.326     112.995  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  7  o ?       ?       17.135     72.246   42.620     92.008   -23.8441   116.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  8  o ?       ?       -36.5240   70.346   37.145     88.513   -162.8468  115.905  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  9  o ?       ?       -119.3686  65.442   -113.6790  86.188   -127.1143  100.563  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  10 o ?       ?       77.564     98.440   -58.4028   318.632  91.911     103.503  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  11 f ?       ?       -27.7566   99.218   -162.3497  316.324  -13.0702   104.491  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  12 o ?       ?       22.304     104.735  -128.8128  308.643  41.970     111.342  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  13 o ?       ?       81.345     69.685   5.6985     92.041   182.946    106.668  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  14 o ?       ?       -67.1645   66.072   -84.1790   87.210   -44.2389   101.231  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  15 o ?       ?       14.537     68.555   33.880     92.487   -9.0495    102.131  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 14  16 o ?       ?       -8.4228    66.419   40.299     84.950   -85.0449   106.532  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  5  o ?       ?       80.281     64.594   141.462    111.336  49.239     79.305   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  6  o ?       ?       96.219     74.154   145.112    94.061   15.931     120.535  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  7  o ?       ?       19.416     77.996   -6.4597    95.574   71.008     134.954  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  8  o ?       ?       68.172     76.725   87.795     94.642   30.550     131.048  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  9  o ?       ?       -132.6125  111.825  -149.1947  243.353  -128.1739  125.904  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  10 o ?       ?       12.984     103.440  41.517     316.698  9.5763     109.442  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  11 o ?       ?       -15.9906   92.128   -281.8306  299.937  11.703     96.807   ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  12 o ?       ?       72.455     72.723   42.294     99.731   106.701    106.271  ?       ?       ?       ?       0.000000       ?        
1 1 1 -33 15  13 o ?       ?       19.884     70.460   6.6607     95.047   36.015     104.982  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 23 o ?       ?       85.635     70.479   0.0000     0.0000   85.635     70.479   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 24 o ?       ?       99.828     79.259   0.0000     0.0000   99.828     79.259   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 25 o ?       ?       -207.2452  67.720   0.0000     0.0000   -207.2452  67.720   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 26 o ?       ?       70.989     84.330   0.0000     0.0000   70.989     84.330   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 27 o ?       ?       52.993     79.258   10.929     176.034  63.689     88.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 28 o ?       ?       -31.6466   73.546   31.043     168.915  -46.3112   81.697   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 29 o ?       ?       -50.6452   96.400   -119.3988  175.464  -20.9200   115.372  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -21 30 o ?       ?       102.780    105.556  274.209    182.540  16.658     129.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 19 o ?       ?       17.104     64.754   0.0000     0.0000   17.104     64.754   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 20 o ?       ?       -29.7855   58.325   0.0000     0.0000   -29.7855   58.325   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 21 o ?       ?       23.868     100.265  0.0000     0.0000   23.868     100.265  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 22 o ?       ?       -11.4223   64.629   0.0000     0.0000   -11.4223   64.629   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 23 o ?       ?       73.195     76.716   0.0000     0.0000   73.195     76.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 24 o ?       ?       26.147     75.414   0.0000     0.0000   26.147     75.414   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 25 o ?       ?       79.102     85.066   0.0000     0.0000   79.102     85.066   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 26 o ?       ?       35.186     72.921   31.820     142.729  36.375     84.828   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 27 o ?       ?       -97.8994   71.415   117.861    137.783  -177.1544  83.507   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 28 o ?       ?       81.906     85.786   -150.9662  185.090  145.618    96.813   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 29 o ?       ?       168.685    112.272  28.837     196.382  236.586    136.840  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 30 o ?       ?       67.750     106.062  231.425    180.013  -19.2825   131.266  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 31 o ?       ?       -102.8832  78.813   -94.7771   144.429  -106.3205  94.051   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 32 o ?       ?       -67.7558   73.796   -100.6749  110.490  -41.2449   99.154   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -20 33 o ?       ?       -104.2764  58.561   -78.4194   89.006   -124.0138  77.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -19 18 o ?       ?       -67.0917   88.352   0.0000     0.0000   -67.0917   88.352   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 19 f ?       ?       -32.0864   57.985   0.0000     0.0000   -32.0864   57.985   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 20 o ?       ?       -45.4301   95.785   0.0000     0.0000   -45.4301   95.785   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 21 o ?       ?       -36.7161   97.353   0.0000     0.0000   -36.7161   97.353   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 22 o ?       ?       44.897     74.416   0.0000     0.0000   44.897     74.416   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 23 o ?       ?       -67.0668   65.883   0.0000     0.0000   -67.0668   65.883   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 24 o ?       ?       -1.1096    74.499   0.0000     0.0000   -1.1096    74.499   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 25 o ?       ?       91.571     75.404   -261.2708  180.454  166.212    82.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 26 f ?       ?       -50.0249   72.850   33.187     142.152  -79.6631   84.837   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 27 o ?       ?       -0.5602    77.099   -71.2662   144.844  27.393     91.074   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 28 o ?       ?       56.744     98.190   -7.4364    149.247  105.724    130.381  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 29 o ?       ?       100.560    109.682  56.954     185.703  123.922    135.923  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 30 o ?       ?       66.542     83.640   342.641    185.335  -4.0709    93.727   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 31 o ?       ?       -22.8467   68.842   -140.5215  124.427  29.066     82.643   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 32 o ?       ?       23.914     76.201   -105.9386  156.259  64.430     87.283   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 33 f ?       ?       41.545     79.027   63.649     157.511  34.109     91.357   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -19 34 o ?       ?       -50.2202   134.395  -317.0047  311.554  10.773     148.968  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -18 16 o ?       ?       16.683     81.705   0.0000     0.0000   16.683     81.705   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 17 o ?       ?       46.856     60.906   0.0000     0.0000   46.856     60.906   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 18 o ?       ?       47.693     61.701   0.0000     0.0000   47.693     61.701   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 19 o ?       ?       66.112     67.782   0.0000     0.0000   66.112     67.782   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 20 o ?       ?       -72.3482   92.885   0.0000     0.0000   -72.3482   92.885   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -18 22 o ?       ?       23.500     75.852   0.0000     0.0000   23.500     75.852   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 23 o ?       ?       -0.7158    74.878   0.0000     0.0000   -0.7158    74.878   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 24 o ?       ?       62.424     71.244   66.686     145.281  61.075     81.748   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 25 o ?       ?       -48.8826   68.666   -183.4227  134.406  -1.3653    79.877   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 26 o ?       ?       8.7293     73.383   152.212    145.869  -39.8891   84.911   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 27 o ?       ?       -92.5055   74.758   -163.9207  139.754  -63.8788   88.482   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 28 o ?       ?       7.5981     80.490   85.479     172.250  -14.1584   91.041   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 29 o ?       ?       80.397     91.525   -58.7302   182.483  127.159    105.795  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 30 o ?       ?       230.382    87.412   148.435    212.594  247.055    95.893   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 31 o ?       ?       -78.5340   75.508   -164.6857  180.103  -60.1617   83.171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 32 o ?       ?       -16.7009   73.268   110.000    157.114  -51.9119   82.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 33 o ?       ?       -79.4197   72.469   134.416    153.800  -140.4449  82.162   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 34 o ?       ?       131.578    137.139  78.680     293.764  146.319    155.074  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -18 35 o ?       ?       27.967     136.267  86.398     286.462  10.878     154.917  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -17 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -17 15 o 9.8992  5.0090  74.502     59.893   0.0000     0.0000   74.502     59.893   ?       ?       9.8992  5.0090  0.000000       5.008970 
1 1 1 -32 -17 16 o ?       ?       32.498     76.540   0.0000     0.0000   32.498     76.540   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 17 o ?       ?       -65.4908   52.784   0.0000     0.0000   -65.4908   52.784   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 18 o ?       ?       -87.8035   49.592   0.0000     0.0000   -87.8035   49.592   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 19 o ?       ?       6.7875     68.801   0.0000     0.0000   6.7875     68.801   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 20 o ?       ?       -136.1599  89.462   0.0000     0.0000   -136.1599  89.462   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 21 o ?       ?       125.377    81.968   0.0000     0.0000   125.377    81.968   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 22 o ?       ?       -5.9847    75.707   0.0000     0.0000   -5.9847    75.707   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 23 o ?       ?       -18.6455   68.666   -238.6974  139.971  51.096     78.799   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 24 o 11.117  5.6379  167.840    78.758   157.192    151.715  171.768    92.147   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 25 o ?       ?       69.774     74.030   112.588    147.715  55.413     85.549   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 26 o ?       ?       31.654     67.461   -6.1445    176.021  38.161     73.038   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 27 o ?       ?       -43.3288   64.735   73.206     175.149  -61.7664   69.668   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 28 o ?       ?       -53.5452   80.963   134.400    182.180  -99.8003   90.378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 29 o ?       ?       74.438     92.074   248.115    188.299  19.862     105.554  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 30 o ?       ?       51.233     76.226   -27.4296   161.271  73.863     86.498   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 31 o ?       ?       55.264     79.933   -108.9931  159.566  110.293    92.357   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 32 o ?       ?       -31.1679   74.537   55.949     155.394  -57.2010   84.947   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 33 o ?       ?       -71.8327   127.008  -274.1879  291.596  -24.4548   141.095  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 34 o ?       ?       -145.5668  123.762  -492.8527  271.443  -54.4251   139.057  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 35 o ?       ?       6.4558     78.409   -247.9634  286.139  27.111     81.530   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -17 36 o ?       ?       -48.1608   48.111   0.4624     60.489   -131.8895  79.376   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -16 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -16 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -16 14 o 9.8198  4.9610  56.634     56.990   0.0000     0.0000   56.634     56.990   ?       ?       9.8198  4.9610  0.000000       4.960958 
1 1 1 -32 -16 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -16 16 f ?       ?       118.954    89.229   0.0000     0.0000   118.954    89.229   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 17 o ?       ?       5.4813     63.791   0.0000     0.0000   5.4813     63.791   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 18 o 9.5957  4.8720  34.167     60.040   0.0000     0.0000   34.167     60.040   ?       ?       9.5957  4.8720  0.000000       4.871951 
1 1 1 -32 -16 19 o ?       ?       -27.0860   88.580   0.0000     0.0000   -27.0860   88.580   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 20 o ?       ?       111.498    111.339  0.0000     0.0000   111.498    111.339  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 21 o ?       ?       84.914     79.802   596.328    326.312  52.381     82.301   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 22 o ?       ?       -14.2819   69.428   -95.2527   143.008  10.687     79.414   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 23 o ?       ?       -18.1448   67.072   -187.4768  147.684  25.858     75.284   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 24 o 10.130  5.1278  60.286     63.230   30.830     140.126  67.818     70.854   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 25 o ?       ?       4.0807     64.226   7.3567     142.115  3.2399     71.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 26 o ?       ?       -51.1587   62.544   242.527    144.490  -118.8744  69.381   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 27 o 10.532  5.3454  98.708     71.824   36.121     156.211  115.486    80.881   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 28 o ?       ?       56.636     90.219   -32.1365   192.585  81.595     102.117  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 29 o ?       ?       1.4956     83.008   -247.0421  181.504  67.227     93.342   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 30 o ?       ?       76.866     84.287   267.058    160.766  4.7709     98.981   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 31 o 10.253  5.1431  64.679     55.510   92.033     68.735   13.380     94.127   10.363  5.2565  ?       ?       0.000000       5.256484 
1 1 1 -32 -16 32 o 10.371  5.1950  72.441     55.684   64.740     68.304   87.702     96.150   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 33 o ?       ?       143.782    136.513  93.008     293.875  157.754    154.155  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 34 o ?       ?       40.705     120.511  -78.1778   306.514  62.443     131.066  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 35 o ?       ?       -45.5746   51.104   -3.8977    66.977   -103.6458  79.061   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 36 o ?       ?       4.0866     51.685   17.875     65.551   -18.5720   84.030   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -16 37 f 9.6346  4.8657  61.392     54.537   113.368    69.519   -21.7799   87.941   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -15 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -15 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -15 13 o 10.104  5.0723  58.850     54.553   0.0000     0.0000   58.850     54.553   ?       ?       10.104  5.0723  0.000000       5.072265 
1 1 1 -32 -15 14 o 8.6456  4.3959  -14.2685   50.196   0.0000     0.0000   -14.2685   50.196   ?       ?       8.6456  4.3959  0.000000       4.395851 
1 1 1 -32 -15 15 o ?       ?       35.015     84.768   0.0000     0.0000   35.015     84.768   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 16 o 15.403  7.4474  375.634    84.826   0.0000     0.0000   375.634    84.826   ?       ?       15.403  7.4474  0.000000       7.447444 
1 1 1 -32 -15 17 o ?       ?       4.8197     66.180   0.0000     0.0000   4.8197     66.180   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 18 o ?       ?       0.0665     57.969   0.0000     0.0000   0.0665     57.969   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 19 o ?       ?       -62.3587   72.418   0.0000     0.0000   -62.3587   72.418   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 20 o ?       ?       -83.9695   97.990   0.0000     0.0000   -83.9695   97.990   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 21 o ?       ?       -9.8766    67.166   54.414     146.087  -27.1096   75.634   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 22 f 9.9798  5.0660  43.934     64.695   250.807    150.087  -3.2759    71.698   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 23 o ?       ?       -22.0386   60.129   126.629    146.953  -51.9335   65.898   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 24 o ?       ?       -18.2653   62.924   33.493     144.686  -30.3383   69.878   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 25 o 10.962  5.5192  100.574    67.173   112.769    148.640  97.444     75.302   ?       ?       10.627  5.4014  0.000000       5.401409 
1 1 1 -32 -15 26 o 10.019  5.0928  48.402     67.111   72.850     150.405  42.324     74.990   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 27 o ?       ?       33.653     96.164   234.473    193.668  -32.0616   110.787  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 28 o ?       ?       -87.1997   56.041   -68.3542   66.867   -131.6830  102.732  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 29 o 9.4366  4.7830  15.701     56.168   43.120     75.242   -18.8103   84.415   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 30 o 12.116  5.9694  140.749    62.410   149.543    79.967   127.048    99.818   11.105  5.6366  ?       ?       0.000000       5.636569 
1 1 1 -32 -15 31 o 9.6260  4.8642  28.961     55.026   25.666     67.898   35.265     93.926   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 32 o ?       ?       -6.6686    54.953   -44.8793   69.475   57.187     89.813   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 33 o ?       ?       142.683    123.898  -131.4248  295.809  201.001    136.443  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 34 o ?       ?       128.517    123.533  266.061    279.006  94.978     137.773  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 35 o 8.8078  4.4782  -0.0637    52.070   45.659     67.138   -69.0764   82.484   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 36 o ?       ?       -19.8362   50.844   -33.6320   64.119   3.5329     83.452   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -15 37 o 9.1571  4.6542  29.712     55.879   -45.6882   71.383   149.033    89.798   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -14 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -14 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -14 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -14 12 o 11.334  5.5897  98.623     55.176   0.0000     0.0000   98.623     55.176   ?       ?       11.334  5.5897  0.000000       5.589717 
1 1 1 -32 -14 13 o 9.9951  5.0211  43.999     53.947   0.0000     0.0000   43.999     53.947   ?       ?       9.9951  5.0211  0.000000       5.021106 
1 1 1 -32 -14 14 o ?       ?       105.212    96.541   0.0000     0.0000   105.212    96.541   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 15 o ?       ?       -50.1910   87.004   0.0000     0.0000   -50.1910   87.004   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 16 o 10.103  5.1226  49.377     64.869   0.0000     0.0000   49.377     64.869   ?       ?       10.103  5.1226  0.000000       5.122596 
1 1 1 -32 -14 17 o 9.8250  4.9861  30.122     62.369   0.0000     0.0000   30.122     62.369   ?       ?       9.8250  4.9861  0.000000       4.986092 
1 1 1 -32 -14 18 f ?       ?       -31.8514   73.420   0.0000     0.0000   -31.8514   73.420   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 19 o ?       ?       -41.1634   66.150   -128.3017  313.379  -37.0996   67.675   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 20 o ?       ?       -2.0723    63.171   214.099    314.988  -11.1313   64.481   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 21 o 11.983  5.9610  139.423    68.003   133.335    156.774  140.834    75.473   ?       ?       11.531  5.8113  0.000000       5.811283 
1 1 1 -32 -14 22 o 9.9450  5.0482  33.374     64.201   281.513    153.440  -19.2868   70.686   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 23 o ?       ?       -78.3978   61.986   36.973     170.879  -95.8792   66.517   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 24 o 10.465  5.3076  68.553     69.884   172.484    160.835  44.364     77.592   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 25 o ?       ?       -7.2803    74.735   -240.7558  259.711  13.799     78.036   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 26 o 11.552  5.6826  92.411     55.802   119.483    75.295   59.425     83.114   11.142  5.6356  ?       ?       0.000000       5.635575 
1 1 1 -32 -14 27 o ?       ?       -34.0666   58.947   -11.6065   70.290   -87.3093   108.222  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 28 o 9.9804  5.0675  38.861     65.023   -2.9380    77.446   138.715    119.701  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 29 o 9.6746  4.8886  21.837     55.534   29.381     74.283   12.277     83.618   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 30 o 11.566  5.7000  100.089    57.038   70.605     71.386   152.148    94.856   10.341  5.2562  ?       ?       0.000000       5.256202 
1 1 1 -32 -14 31 o 10.254  5.1611  54.203     58.523   -17.4750   76.623   154.559    90.664   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 32 o 9.4767  4.8162  17.040     59.739   12.254     67.612   34.075     127.557  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 33 o ?       ?       149.815    125.104  301.141    298.818  117.654    137.759  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 34 o ?       ?       255.848    132.495  363.508    310.264  231.836    146.527  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 35 o 10.551  5.3021  85.826     60.464   12.416     81.182   177.280    90.612   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 36 o ?       ?       9.4509     57.019   -49.2422   75.026   89.705     87.731   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -14 37 o ?       ?       -1.0385    56.821   54.715     76.701   -68.8524   84.591   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -13 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -13 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -13 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -13 11 f 8.2972  4.1876  -20.1168   40.020   0.0000     0.0000   -20.1168   40.020   ?       ?       8.2972  4.1876  0.000000       4.187580 
1 1 1 -32 -13 12 o 8.2988  4.2133  -31.7706   44.857   0.0000     0.0000   -31.7706   44.857   ?       ?       8.2988  4.2133  0.000000       4.213266 
1 1 1 -32 -13 13 o 9.2715  4.7048  1.1132     55.461   0.0000     0.0000   1.1132     55.461   ?       ?       9.2715  4.7048  0.000000       4.704819 
1 1 1 -32 -13 14 o ?       ?       -0.0199    89.761   0.0000     0.0000   -0.0199    89.761   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 15 o ?       ?       -90.7245   54.188   0.0000     0.0000   -90.7245   54.188   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 16 o 11.407  5.7476  125.514    73.619   0.0000     0.0000   125.514    73.619   ?       ?       11.407  5.7476  0.000000       5.747569 
1 1 1 -32 -13 17 o ?       ?       -37.9074   58.127   0.0000     0.0000   -37.9074   58.127   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 18 o ?       ?       103.570    84.166   255.758    317.206  92.044     87.295   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 19 o ?       ?       14.910     71.903   -171.9628  319.444  24.883     73.797   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 20 o 10.127  5.0996  35.095     57.468   21.674     152.496  37.317     62.042   ?       ?       10.139  5.1270  0.000000       5.126984 
1 1 1 -32 -13 21 o 10.298  5.2135  47.305     65.445   244.746    157.902  6.3531     71.913   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 22 f ?       ?       -17.0810   64.650   77.220     152.243  -37.8273   71.408   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 23 o 9.3079  4.6989  -0.9180    50.579   -54.7836   68.252   64.698     75.330   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 24 o 9.9243  4.9893  25.114     53.829   -55.7113   74.297   114.418    78.097   ?       ?       11.135  5.6434  0.000000       5.643373 
1 1 1 -32 -13 25 o 9.3865  4.7448  1.3578     52.726   -31.8815   71.256   41.580     78.385   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 26 o ?       ?       -28.6802   52.492   -28.9648   68.691   -28.2808   81.380   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 27 o 10.186  5.1575  42.302     64.161   58.867     78.088   7.8803     112.563  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 28 o ?       ?       22.447     70.547   61.132     83.492   -74.1083   131.905  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 29 o 12.384  6.1012  142.452    65.129   253.594    83.395   -31.3232   104.278  13.275  6.6033  ?       ?       0.000000       6.603338 
1 1 1 -32 -13 30 o ?       ?       -26.6605   59.231   -95.2078   77.446   69.935     91.935   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 31 o 10.647  5.3254  64.360     57.535   53.360     80.977   75.575     81.762   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 32 o ?       ?       254.643    132.061  0.0000     0.0000   254.643    132.061  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 33 o ?       ?       66.082     117.806  358.394    276.330  1.1522     130.234  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 34 o ?       ?       -1.4802    56.902   20.543     75.712   -30.0673   86.260   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 35 o 10.910  5.4847  104.962    65.020   60.611     87.895   158.563    96.627   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 36 o 10.365  5.2248  77.885     61.253   10.801     81.476   165.081    92.890   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 37 o ?       ?       -42.4065   56.479   -7.3117    75.930   -85.8730   84.502   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -13 38 o 9.4612  4.8026  42.319     58.095   -11.7720   80.104   102.340    84.381   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -12 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -12 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -12 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -12 10 o 9.5356  4.7557  18.359     44.457   0.0000     0.0000   18.359     44.457   ?       ?       9.5356  4.7557  0.000000       4.755683 
1 1 1 -32 -12 11 o 10.126  5.0590  38.218     51.257   0.0000     0.0000   38.218     51.257   ?       ?       10.126  5.0590  0.000000       5.058965 
1 1 1 -32 -12 12 o 9.3151  4.7110  1.2249     52.509   0.0000     0.0000   1.2249     52.509   ?       ?       9.3151  4.7110  0.000000       4.710965 
1 1 1 -32 -12 13 f ?       ?       35.123     98.593   0.0000     0.0000   35.123     98.593   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 14 o ?       ?       153.261    114.045  0.0000     0.0000   153.261    114.045  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 15 o 12.912  6.4179  203.779    78.182   0.0000     0.0000   203.779    78.182   ?       ?       12.912  6.4179  0.000000       6.417894 
1 1 1 -32 -12 16 o 9.6262  4.8579  9.6619     53.788   0.0000     0.0000   9.6619     53.788   ?       ?       9.6262  4.8579  0.000000       4.857891 
1 1 1 -32 -12 17 o 10.997  5.4918  71.095     60.154   0.0000     0.0000   71.095     60.154   ?       ?       10.997  5.4918  0.000000       5.491849 
1 1 1 -32 -12 18 o ?       ?       -149.2519  48.225   -489.1932  275.902  -138.5388  48.979   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 19 o 9.9293  5.0202  20.976     59.295   43.592     315.302  20.147     60.373   ?       ?       9.9163  5.0189  0.000000       5.018862 
1 1 1 -32 -12 20 o ?       ?       -23.3687   58.902   39.196     320.837  -25.5510   59.920   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 21 o ?       ?       -46.0619   48.554   79.242     66.413   -189.9307  71.163   11.013  5.5372  ?       ?       0.000000       5.537235 
1 1 1 -32 -12 22 o 11.096  5.4711  63.214     52.738   33.720     71.592   98.209     77.983   ?       ?       11.018  5.5900  0.000000       5.590027 
1 1 1 -32 -12 23 o ?       ?       -53.0738   50.233   -72.4725   68.485   -30.4831   73.905   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 24 o 9.6943  4.8805  11.571     52.492   68.495     69.601   -63.5156   79.937   10.720  5.4216  ?       ?       0.000000       5.421628 
1 1 1 -32 -12 25 o 10.600  5.3044  51.007     57.433   -0.1450    76.814   115.855    86.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 26 o ?       ?       -3.0387    72.249   -22.3675   80.671   75.297     162.404  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 27 o ?       ?       -48.9688   68.461   -58.6153   74.149   6.7725     178.240  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 28 o 10.048  5.0903  29.726     63.055   -34.2079   82.849   117.745    97.209   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 29 o 12.385  6.1068  138.296    65.713   185.586    86.110   72.353     101.684  11.950  6.0426  ?       ?       0.000000       6.042621 
1 1 1 -32 -12 30 o 11.433  5.6807  93.609     61.026   125.526    85.277   60.109     87.367   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 31 o 9.2676  4.7086  -6.7650    56.805   -16.8510   79.561   3.7230     81.131   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 32 o ?       ?       -54.6162   96.721   -195.0271  239.552  -27.2683   105.721  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 33 o ?       ?       313.140    123.499  364.176    294.995  302.294    135.990  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 34 o 9.6422  4.8925  22.157     59.891   86.430     83.517   -45.8869   85.932   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 35 o 9.7804  4.9579  34.936     60.508   -44.2538   80.607   137.154    91.581   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 36 o 9.7459  4.9455  39.415     61.258   6.6891     81.131   82.813     93.428   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 37 o 9.8179  4.9773  50.667     61.060   35.063     81.702   70.410     91.900   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -12 38 o 9.6718  4.9143  51.884     61.935   3.0623     82.281   115.711    94.079   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -11 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -11 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -11 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -11 9  o 7.4194  3.7614  -46.6760   34.872   0.0000     0.0000   -46.6760   34.872   ?       ?       7.4194  3.7614  0.000000       3.761377 
1 1 1 -32 -11 10 o 10.519  5.2109  47.474     49.885   0.0000     0.0000   47.474     49.885   ?       ?       10.519  5.2109  0.000000       5.210877 
1 1 1 -32 -11 11 o 9.0994  4.6058  -11.1969   50.915   0.0000     0.0000   -11.1969   50.915   ?       ?       9.0994  4.6058  0.000000       4.605808 
1 1 1 -32 -11 12 o ?       ?       -50.3128   51.140   0.0000     0.0000   -50.3128   51.140   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 13 o ?       ?       17.364     105.882  0.0000     0.0000   17.364     105.882  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 14 o 10.430  5.2352  43.051     58.042   0.0000     0.0000   43.051     58.042   ?       ?       10.430  5.2352  0.000000       5.235226 
1 1 1 -32 -11 15 o 10.006  5.0434  22.730     56.967   0.0000     0.0000   22.730     56.967   ?       ?       10.006  5.0434  0.000000       5.043388 
1 1 1 -32 -11 16 o 9.2392  4.6903  -15.8560   55.506   340.858    267.784  -31.8703   56.739   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 17 o ?       ?       36.954     75.370   -226.9758  261.266  60.912     78.717   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 18 o ?       ?       -22.3783   73.131   245.962    282.574  -41.6418   75.711   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 19 o 9.9688  4.9526  20.854     46.329   50.400     67.877   -4.9160    63.391   10.520  5.3243  ?       ?       0.000000       5.324330 
1 1 1 -32 -11 20 o 9.7664  4.8751  13.735     47.149   20.050     68.797   8.1411     64.745   ?       ?       9.8133  4.9898  0.000000       4.989827 
1 1 1 -32 -11 21 o 9.2143  4.6505  -10.0174   49.375   55.491     75.125   -59.8357   65.513   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 22 o 10.681  5.3380  50.084     57.318   71.358     78.043   25.170     84.455   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 23 o ?       ?       -65.1064   52.823   -70.9811   65.340   -54.0229   89.747   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 24 o 11.727  5.7995  94.299     60.853   20.256     78.097   208.734    97.090   ?       ?       11.982  6.0944  0.000000       6.094405 
1 1 1 -32 -11 25 o 10.831  5.4431  62.988     63.702   102.418    82.645   5.2691     99.992   11.054  5.6223  ?       ?       0.000000       5.622325 
1 1 1 -32 -11 26 o ?       ?       -55.1053   69.125   -66.5830   74.776   12.327     181.248  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 27 o ?       ?       20.763     72.491   53.545     79.286   -146.2632  178.966  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 28 o 10.242  5.1573  34.217     58.796   23.912     79.817   46.442     86.937   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 29 o 11.056  5.5192  71.917     60.482   67.254     84.458   76.826     86.652   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 30 o ?       ?       -22.4682   57.162   -33.3676   79.249   -10.6474   82.530   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 31 o 10.346  5.2451  49.179     67.836   117.509    84.746   -72.6901   113.177  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 32 o ?       ?       -112.4639  103.186  0.0000     0.0000   -112.4639  103.186  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 33 o ?       ?       122.286    123.128  0.0000     0.0000   122.286    123.128  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 34 o ?       ?       -21.2860   57.845   12.647     77.055   -65.1018   87.560   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 35 o 10.935  5.4835  89.848     62.895   2.0403     84.726   197.625    93.867   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 36 o 10.466  5.2875  77.328     64.794   69.272     82.761   90.087     104.146  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 37 o ?       ?       22.007     63.455   50.613     79.785   -27.2349   104.681  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -11 38 o 10.477  5.3064  103.682    68.335   178.983    89.754   -0.1613    105.400  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -10 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -10 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -10 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -10 8  o 10.243  5.0220  34.350     42.444   0.0000     0.0000   34.350     42.444   ?       ?       10.243  5.0220  0.000000       5.021961 
1 1 1 -32 -10 9  o 10.483  5.2098  44.701     51.429   0.0000     0.0000   44.701     51.429   ?       ?       10.483  5.2098  0.000000       5.209772 
1 1 1 -32 -10 10 o 8.7331  4.4248  -26.7945   47.773   0.0000     0.0000   -26.7945   47.773   ?       ?       8.7331  4.4248  0.000000       4.424775 
1 1 1 -32 -10 11 o 9.6111  4.8616  4.3188     56.119   0.0000     0.0000   4.3188     56.119   ?       ?       9.6111  4.8616  0.000000       4.861620 
1 1 1 -32 -10 12 o ?       ?       123.851    102.112  0.0000     0.0000   123.851    102.112  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 13 o ?       ?       70.144     83.909   0.0000     0.0000   70.144     83.909   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 14 o ?       ?       -43.4844   54.607   0.0000     0.0000   -43.4844   54.607   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 15 o 11.465  5.7556  99.055     70.257   421.358    226.225  64.651     73.911   ?       ?       10.737  5.4469  0.000000       5.446866 
1 1 1 -32 -10 16 o ?       ?       71.345     80.079   266.254    279.414  53.903     83.586   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 17 o ?       ?       -93.1381   58.846   -371.3486  256.470  -77.6775   60.459   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 18 o ?       ?       -39.3270   57.731   -437.1363  273.616  -20.7919   59.061   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 19 o 10.412  5.1549  33.058     48.556   43.229     74.145   25.421     64.250   ?       ?       10.172  5.1516  0.000000       5.151643 
1 1 1 -32 -10 20 o 10.509  5.2241  37.461     51.872   -22.7085   73.585   96.894     73.134   ?       ?       11.346  5.7182  0.000000       5.718210 
1 1 1 -32 -10 21 o 9.4507  4.7707  -4.8942    52.097   0.3298     73.180   -10.2623   74.182   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 22 o 9.3261  4.7328  -15.9626   56.170   8.6309     74.760   -47.8418   85.117   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 23 o ?       ?       -162.5271  51.585   -103.5708  64.817   -264.3828  85.196   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 24 o 9.6036  4.8832  -6.2960    62.012   13.892     79.290   -38.0932   99.510   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 25 o ?       ?       13.872     73.145   0.9278     79.146   89.652     191.501  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 26 o ?       ?       78.469     80.256   51.410     88.545   203.029    189.977  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 27 o ?       ?       -79.9504   73.413   -60.5343   83.459   -146.3517  154.342  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 28 o ?       ?       -40.5627   57.885   37.790     79.755   -127.7760  84.144   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 29 o 10.683  5.3765  55.015     63.428   115.970    86.211   -16.9167   93.652   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 30 o 10.682  5.3671  55.170     61.805   64.874     82.466   42.734     93.356   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 31 o ?       ?       -174.4029  89.019   -257.9380  242.309  -161.3695  95.711   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 32 o ?       ?       -45.8409   99.754   143.788    240.194  -85.3643   109.658  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 33 o 14.957  7.1331  243.009    71.925   167.339    93.786   351.069    112.076  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 34 o 9.7416  4.9480  18.777     62.386   31.875     84.002   2.6666     93.161   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 35 o 9.9388  5.0299  34.789     60.574   53.552     76.958   4.2367     98.204   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 36 o 9.3761  4.7677  9.1627     59.141   13.935     73.967   0.7041     98.471   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 37 f 10.115  5.1114  57.571     60.807   21.430     81.694   102.466    91.052   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -10 38 o 10.030  5.0677  60.486     59.525   64.245     80.407   55.927     88.542   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -9  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -9  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -9  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -9  7  o 14.405  6.5880  138.165    51.591   0.0000     0.0000   138.165    51.591   ?       ?       14.405  6.5880  0.000000       6.588027 
1 1 1 -32 -9  8  o 11.691  5.7265  84.913     54.806   0.0000     0.0000   84.913     54.806   ?       ?       11.691  5.7265  0.000000       5.726490 
1 1 1 -32 -9  9  o 13.212  6.4253  156.409    65.532   0.0000     0.0000   156.409    65.532   ?       ?       13.212  6.4253  0.000000       6.425282 
1 1 1 -32 -9  10 o 9.9408  5.0078  17.419     55.747   0.0000     0.0000   17.419     55.747   ?       ?       9.9408  5.0078  0.000000       5.007834 
1 1 1 -32 -9  11 o ?       ?       43.187     77.194   0.0000     0.0000   43.187     77.194   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  12 o ?       ?       10.033     77.276   0.0000     0.0000   10.033     77.276   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  13 o 10.165  5.1213  23.701     58.402   0.0000     0.0000   23.701     58.402   ?       ?       10.165  5.1213  0.000000       5.121342 
1 1 1 -32 -9  14 o ?       ?       14.576     74.182   0.0000     0.0000   14.576     74.182   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  15 o 10.423  5.1781  32.397     50.652   59.628     67.922   -1.7202    76.027   10.829  5.4644  ?       ?       0.000000       5.464356 
1 1 1 -32 -9  16 o ?       ?       -307.3923  33.844   -536.4169  241.171  -302.7913  34.183   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  17 o ?       ?       -12.0819   76.192   219.785    259.104  -34.0294   79.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  18 o 8.9875  4.5443  -23.4725   48.644   57.891     70.395   -97.8300   67.296   10.771  5.4481  ?       ?       0.000000       5.448087 
1 1 1 -32 -9  19 o 10.206  5.1148  24.425     54.312   18.062     77.282   30.635     76.344   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  20 o 13.267  6.3703  129.623    59.515   97.764     82.792   163.690    85.614   11.166  5.6744  12.094  6.1063  -0.9275227     8.335827 
1 1 1 -32 -9  21 o 12.465  6.0883  110.926    60.628   81.002     88.160   137.777    83.510   ?       ?       11.759  5.9462  0.000000       5.946213 
1 1 1 -32 -9  22 o 11.183  5.5690  66.512     60.050   100.437    85.173   32.982     84.676   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  23 o 11.175  5.6067  74.029     66.157   75.484     87.263   72.063     101.454  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  24 o ?       ?       -62.4718   61.742   -78.6605   81.893   -41.1498   93.984   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  25 o ?       ?       -13.5651   72.055   8.9577     79.367   -119.1774  171.864  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  26 o 10.620  5.3919  52.400     73.536   39.396     81.573   108.815    169.905  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  27 o 9.9340  5.0346  10.775     62.141   -76.1381   78.045   161.311    102.711  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  28 o 11.771  5.8639  102.985    66.795   54.380     85.711   178.159    106.593  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  29 o ?       ?       -20.7422   61.340   -66.5986   77.026   58.755     101.418  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  30 o 12.070  5.9819  115.879    66.005   148.787    86.262   69.400     102.519  11.685  5.9231  ?       ?       0.000000       5.923070 
1 1 1 -32 -9  31 o ?       ?       204.396    114.020  247.876    261.300  194.170    126.720  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  32 o ?       ?       159.168    112.427  551.225    261.961  70.650     124.474  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  33 o 14.505  6.9428  214.261    69.469   205.147    89.846   227.809    109.544  12.125  6.1351  ?       ?       0.000000       6.135100 
1 1 1 -32 -9  34 o 10.562  5.3141  58.345     61.761   100.245    79.968   -3.5923    97.226   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  35 o ?       ?       16.017     63.307   -76.1097   81.762   153.926    100.036  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  36 o ?       ?       -6.8295    62.891   -51.1980   84.201   49.156     94.584   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  37 o 9.5468  4.8489  23.261     59.865   -87.0396   81.693   151.191    87.980   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -9  38 o 10.122  5.1259  67.549     63.527   48.335     91.461   85.460     88.305   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -8  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -8  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -8  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -8  6  o 9.1501  4.6242  -9.7033    49.830   0.0000     0.0000   -9.7033    49.830   ?       ?       9.1501  4.6242  0.000000       4.624194 
1 1 1 -32 -8  7  o 9.8981  4.9021  19.799     44.060   0.0000     0.0000   19.799     44.060   ?       ?       9.8981  4.9021  0.000000       4.902137 
1 1 1 -32 -8  8  o 11.379  5.6153  72.411     55.967   0.0000     0.0000   72.411     55.967   ?       ?       11.379  5.6153  0.000000       5.615331 
1 1 1 -32 -8  9  o 12.291  5.9993  103.417    58.589   0.0000     0.0000   103.417    58.589   ?       ?       12.291  5.9993  0.000000       5.999299 
1 1 1 -32 -8  10 o 10.925  5.4109  51.325     53.681   0.0000     0.0000   51.325     53.681   ?       ?       10.925  5.4109  0.000000       5.410944 
1 1 1 -32 -8  11 o ?       ?       164.250    95.824   0.0000     0.0000   164.250    95.824   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  12 o 10.217  5.1446  23.515     58.480   0.0000     0.0000   23.515     58.480   ?       ?       10.217  5.1446  0.000000       5.144581 
1 1 1 -32 -8  13 o 11.502  5.7456  85.881     65.991   0.0000     0.0000   85.881     65.991   ?       ?       11.502  5.7456  0.000000       5.745553 
1 1 1 -32 -8  14 o 9.8049  4.9153  8.0202     50.334   22.416     65.893   -12.1482   77.993   10.226  5.1827  ?       ?       0.000000       5.182703 
1 1 1 -32 -8  15 o 11.214  5.6072  69.467     63.577   16.453     74.068   217.860    123.920  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  16 o 13.618  6.8710  345.455    107.249  1297.26    277.503  178.325    116.285  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  17 o 10.500  5.3324  39.350     72.255   -144.3868  276.137  52.855     74.863   ?       ?       10.691  5.4293  0.000000       5.429260 
1 1 1 -32 -8  18 o 11.679  5.7620  80.132     58.832   120.769    83.210   39.512     83.193   11.569  5.8593  ?       ?       0.000000       5.859348 
1 1 1 -32 -8  19 o 12.699  6.1827  116.737    61.132   75.850     85.428   159.646    87.516   ?       ?       12.013  6.0761  0.000000       6.076114 
1 1 1 -32 -8  20 o ?       ?       -56.5647   50.859   24.151     73.068   -132.4220  70.835   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  21 o 12.040  5.9049  91.816     58.829   9.8461     85.753   164.693    80.857   ?       ?       12.458  6.2431  0.000000       6.243142 
1 1 1 -32 -8  22 o 11.460  5.6663  71.591     57.954   63.374     82.247   79.693     81.674   ?       ?       10.989  5.5893  0.000000       5.589270 
1 1 1 -32 -8  23 o 15.545  7.2573  211.158    67.509   -5.5588    94.644   435.631    96.323   ?       ?       17.320  8.2585  0.000000       8.258471 
1 1 1 -32 -8  24 f ?       ?       1617.45    256.402  1617.45    256.402  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  25 o 11.017  5.5771  73.497     74.777   87.830     82.700   9.2680     175.067  11.083  5.6358  ?       ?       0.000000       5.635815 
1 1 1 -32 -8  26 o ?       ?       -24.6807   69.008   -26.8458   76.261   -14.8944   162.130  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  27 o 12.621  6.2047  129.139    66.219   181.044    84.770   47.884     106.063  12.496  6.2795  ?       ?       0.000000       6.279548 
1 1 1 -32 -8  28 o 9.7094  4.9361  -5.1268    63.134   7.8896     80.340   -26.1437   102.087  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  29 o ?       ?       -34.7738   60.910   -32.8820   75.805   -38.2202   102.318  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  30 o ?       ?       125.515    126.006  474.634    348.961  73.170     135.123  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  31 o ?       ?       66.030     112.515  302.398    324.616  33.756     119.950  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  32 o ?       ?       -68.3368   59.607   -160.6787  77.332   66.830     93.562   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  33 o 11.096  5.5616  78.699     64.305   93.942     81.498   53.554     104.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  34 o 12.039  5.9736  127.249    66.603   133.264    84.975   117.668    107.250  11.239  5.7149  ?       ?       0.000000       5.714893 
1 1 1 -32 -8  35 o 9.9949  5.0600  32.446     61.650   16.660     77.725   59.223     101.232  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  36 o ?       ?       -71.6399   57.006   -73.8311   72.572   -68.1097   92.115   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  37 o 9.8899  5.0160  41.657     62.483   -41.7874   90.249   118.477    86.593   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -8  38 o ?       ?       5.0856     62.448   100.286    89.477   -85.3258   87.197   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -7  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -7  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -7  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -7  5  o 10.087  5.0864  27.964     58.317   0.0000     0.0000   27.964     58.317   ?       ?       10.087  5.0864  0.000000       5.086356 
1 1 1 -32 -7  6  o 13.763  6.4069  121.877    52.020   0.0000     0.0000   121.877    52.020   ?       ?       13.763  6.4069  0.000000       6.406945 
1 1 1 -32 -7  7  o 10.401  5.1832  33.762     52.403   0.0000     0.0000   33.762     52.403   ?       ?       10.401  5.1832  0.000000       5.183235 
1 1 1 -32 -7  8  o 10.311  5.1241  28.335     49.733   0.0000     0.0000   28.335     49.733   ?       ?       10.311  5.1241  0.000000       5.124074 
1 1 1 -32 -7  9  o 11.511  5.6642  70.455     55.580   0.0000     0.0000   70.455     55.580   ?       ?       11.511  5.6642  0.000000       5.664164 
1 1 1 -32 -7  10 o ?       ?       54.226     89.442   0.0000     0.0000   54.226     89.442   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  11 o ?       ?       -23.5042   89.351   0.0000     0.0000   -23.5042   89.351   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  12 o 9.4894  4.8163  -16.0064   58.305   0.0000     0.0000   -16.0064   58.305   ?       ?       9.4894  4.8163  0.000000       4.816297 
1 1 1 -32 -7  13 o 8.8419  4.4846  -36.1973   49.964   -64.9079   65.238   4.5359     77.706   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  14 o 14.911  7.0041  181.302    64.530   139.589    81.787   250.095    105.032  12.012  6.0530  12.531  6.3700  -0.5186558     8.787242 
1 1 1 -32 -7  15 o ?       ?       -32.1986   101.893  -122.2135  218.377  -7.1477    115.202  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  16 o ?       ?       34.129     90.961   -259.4758  237.581  84.559     98.464   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  17 o 9.0895  4.5997  -24.8996   50.574   -52.7070   76.912   -3.7176    67.127   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  18 o ?       ?       -70.0502   48.054   -146.9078  68.872   2.8597     67.080   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  19 o 10.642  5.3015  38.187     54.611   108.778    78.975   -26.4988   75.599   11.557  5.8387  ?       ?       0.000000       5.838743 
1 1 1 -32 -7  20 o 9.3417  4.7103  -12.0350   49.965   -31.7213   69.626   8.8668     71.744   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  21 o 9.3414  4.7269  -16.8778   53.366   39.665     76.065   -71.6883   74.891   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  22 o 10.867  5.4118  47.550     56.685   39.816     79.251   55.651     81.111   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  23 o 13.951  7.0461  404.840    114.472  636.643    151.033  91.927     175.479  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  24 o 12.684  6.3712  192.026    86.738   194.363    97.708   183.335    188.410  12.137  6.1671  ?       ?       0.000000       6.167139 
1 1 1 -32 -7  25 o 13.574  6.7655  247.683    89.368   174.584    99.894   540.741    200.013  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  26 o ?       ?       -86.1751   58.633   -85.5931   72.606   -87.2661   99.410   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  27 o ?       ?       -39.6468   61.618   44.383     80.727   -156.9418  95.376   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  28 o ?       ?       -17.4216   61.724   71.979     76.310   -186.5907  104.971  10.985  5.5687  ?       ?       0.000000       5.568655 
1 1 1 -32 -7  29 o ?       ?       -28.6087   62.660   -10.9923   79.708   -57.1077   101.381  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  30 o ?       ?       -144.4126  108.608  -252.4191  330.427  -131.3305  114.998  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  31 o ?       ?       189.245    131.172  348.182    359.614  164.853    140.878  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  32 o 10.131  5.1333  24.366     64.358   45.159     83.024   -6.9397    101.872  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  33 o 12.319  6.0863  129.789    66.453   137.842    84.339   116.604    107.918  11.503  5.8335  ?       ?       0.000000       5.833508 
1 1 1 -32 -7  34 o 9.4685  4.8031  -1.7810    57.456   2.6164     70.796   -10.2659   98.341   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  35 o ?       ?       -27.8425   58.339   3.5649     72.515   -85.4691   98.225   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  36 o ?       ?       -37.2767   57.252   -24.0065   74.625   -56.2618   89.259   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  37 o ?       ?       -16.8940   54.977   50.026     73.377   -102.5390  83.010   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -7  38 o 9.9711  5.0505  54.610     61.910   39.587     81.470   75.141     95.244   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -6  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -6  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -6  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -6  5  o 9.0289  4.5088  -6.9389    40.510   0.0000     0.0000   -6.9389    40.510   ?       ?       9.0289  4.5088  0.000000       4.508803 
1 1 1 -32 -6  6  o 10.354  5.1232  29.795     47.710   0.0000     0.0000   29.795     47.710   ?       ?       10.354  5.1232  0.000000       5.123211 
1 1 1 -32 -6  7  o 10.559  5.2050  34.450     47.629   0.0000     0.0000   34.450     47.629   ?       ?       10.559  5.2050  0.000000       5.204999 
1 1 1 -32 -6  8  o 10.667  5.2962  38.566     52.663   0.0000     0.0000   38.566     52.663   ?       ?       10.667  5.2962  0.000000       5.296156 
1 1 1 -32 -6  9  o ?       ?       28.804     90.766   0.0000     0.0000   28.804     90.766   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  10 o ?       ?       117.749    105.501  0.0000     0.0000   117.749    105.501  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  11 o 10.647  5.3895  42.292     69.771   0.0000     0.0000   42.292     69.771   ?       ?       10.647  5.3895  0.000000       5.389543 
1 1 1 -32 -6  12 o 11.224  5.4930  51.798     50.117   55.749     67.360   46.900     75.008   10.933  5.5075  10.693  5.4307  0.2403364      7.734633 
1 1 1 -32 -6  13 o 18.350  7.8701  230.348    62.751   157.041    87.317   308.645    90.241   12.121  6.1254  15.037  7.3618  -2.915545      9.576871 
1 1 1 -32 -6  14 o ?       ?       127.384    112.527  -24.7356   230.691  174.879    128.903  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  15 o ?       ?       -37.3400   106.490  -87.8590   210.158  -19.8875   123.523  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  16 o ?       ?       -69.5577   52.519   -60.5601   65.357   -85.9570   88.235   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  17 o 8.5672  4.3499  -45.8061   47.892   -1.9260    67.333   -90.7352   68.133   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  18 o 12.940  6.1977  105.921    55.558   121.216    77.135   89.432     80.091   11.899  5.9808  11.247  5.7017  0.6517563      8.263110 
1 1 1 -32 -6  19 f 8.9055  4.5167  -34.8736   50.644   -22.7706   70.610   -47.6956   72.677   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  20 o 9.8821  4.9682  7.1055     53.394   41.506     74.847   -28.5415   76.191   10.582  5.3790  ?       ?       0.000000       5.379047 
1 1 1 -32 -6  21 o ?       ?       -92.4087   49.585   -54.5590   69.862   -130.8328  70.390   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  22 o 9.7770  4.9418  -0.7112    57.101   3.3963     80.451   -4.8807    81.057   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  23 o ?       ?       -18.9503   70.436   -8.7364    79.125   -57.9426   154.600  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  24 o 13.468  6.6912  218.406    84.556   196.078    96.588   291.656    174.945  12.268  6.2234  ?       ?       0.000000       6.223439 
1 1 1 -32 -6  25 o 11.758  5.9212  113.766    77.579   154.997    89.880   -6.6991    153.633  11.963  6.0621  ?       ?       0.000000       6.062052 
1 1 1 -32 -6  26 o 10.783  5.4318  47.819     65.551   66.096     84.671   20.476     103.563  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  27 o ?       ?       -107.2532  52.887   -147.0415  62.912   -11.3898   97.653   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  28 o 10.832  5.4063  46.361     57.894   68.015     70.180   0.2357     102.428  11.079  5.5859  ?       ?       0.000000       5.585887 
1 1 1 -32 -6  29 o ?       ?       -14.5400   116.975  299.091    358.853  -51.8270   123.733  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  30 o ?       ?       -97.5087   111.728  -198.7030  336.753  -84.9917   118.436  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  31 o 9.9477  5.0242  11.848     58.210   -3.9525    70.133   46.834     104.361  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  32 o 10.686  5.3704  50.094     62.073   -12.1711   75.045   184.976    110.453  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  33 o 12.024  5.9773  120.885    67.913   99.386     83.215   163.760    117.517  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  34 o 9.4343  4.7772  -2.6105    55.132   22.411     64.484   -70.6010   106.296  9.9702  5.0608  ?       ?       0.000000       5.060799 
1 1 1 -32 -6  35 o ?       ?       -101.8312  49.906   -143.9760  59.820   -5.3311    90.518   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  36 o ?       ?       -53.3013   55.413   -42.1294   69.770   -72.3886   91.196   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  37 o 9.7148  4.9200  29.155     58.630   7.8475     74.557   63.684     94.910   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -6  38 o ?       ?       -41.6549   62.101   -49.5964   65.569   27.518     193.516  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -5  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -5  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -5  4  o 10.430  5.2709  39.850     64.724   0.0000     0.0000   39.850     64.724   ?       ?       10.430  5.2709  0.000000       5.270916 
1 1 1 -32 -5  5  o ?       ?       -67.2006   36.303   0.0000     0.0000   -67.2006   36.303   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  6  o 12.863  6.1714  106.220    55.615   0.0000     0.0000   106.220    55.615   ?       ?       12.863  6.1714  0.000000       6.171351 
1 1 1 -32 -5  7  o 12.220  5.9709  93.987     58.487   0.0000     0.0000   93.987     58.487   ?       ?       12.220  5.9709  0.000000       5.970914 
1 1 1 -32 -5  8  o 10.200  5.1178  18.789     55.186   0.0000     0.0000   18.789     55.186   ?       ?       10.200  5.1178  0.000000       5.117801 
1 1 1 -32 -5  9  o ?       ?       46.347     141.445  0.0000     0.0000   46.347     141.445  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  10 o 9.8722  4.9645  4.6422     53.492   0.0000     0.0000   4.6422     53.492   ?       ?       9.8722  4.9645  0.000000       4.964454 
1 1 1 -32 -5  11 o 10.904  5.3551  40.854     48.910   52.538     68.130   28.429     70.257   10.899  5.4960  10.455  5.3045  0.4433117      7.638319 
1 1 1 -32 -5  12 o 11.327  5.5682  56.722     53.279   38.368     73.499   77.046     77.344   10.606  5.3856  11.182  5.6619  -0.5759649     7.814244 
1 1 1 -32 -5  13 o 10.777  5.3619  40.068     55.108   -51.4381   72.926   161.884    84.141   ?       ?       12.413  6.2403  0.000000       6.240255 
1 1 1 -32 -5  14 o ?       ?       -10.7543   102.678  -435.1352  229.066  95.954     114.864  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  15 o ?       ?       45.377     89.912   128.022    218.736  28.574     98.630   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  16 o 9.0046  4.5777  -38.5093   54.294   19.299     65.812   -161.6898  96.068   10.262  5.1990  ?       ?       0.000000       5.198960 
1 1 1 -32 -5  17 o 9.1725  4.6395  -23.2624   51.054   22.348     72.577   -67.9385   71.830   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  18 o 11.765  5.7755  75.867     56.695   -26.2483   80.955   174.158    79.424   ?       ?       12.918  6.4285  0.000000       6.428530 
1 1 1 -32 -5  19 o ?       ?       -65.1392   50.846   -101.2987  73.638   -32.1912   70.292   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  20 o 9.9668  5.0128  9.2136     54.647   -44.6625   77.015   63.848     77.555   ?       ?       10.921  5.5443  0.000000       5.544284 
1 1 1 -32 -5  21 o 9.8903  4.9953  3.7004     57.569   -52.9061   81.626   59.727     81.206   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  22 o ?       ?       -34.3326   60.791   -36.1344   79.161   -31.7425   94.910   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  23 o ?       ?       38.039     75.798   -7.7119    89.146   157.422    144.004  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  24 o 12.883  6.4443  187.858    84.395   217.358    96.555   92.369     173.716  12.632  6.3886  ?       ?       0.000000       6.388617 
1 1 1 -32 -5  25 f 17.426  8.2484  398.769    92.640   34.046     131.627  756.759    130.407  ?       ?       18.127  8.8693  0.000000       8.869315 
1 1 1 -32 -5  26 o 9.5547  4.8570  -18.9666   61.025   -156.9286  74.578   260.592    106.161  ?       ?       12.711  6.4563  0.000000       6.456270 
1 1 1 -32 -5  27 f 9.4178  4.7894  -24.8767   59.801   -95.9456   72.125   131.445    106.969  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  28 o 12.271  6.0484  106.710    64.294   81.172     79.780   154.028    108.595  11.151  5.6569  ?       ?       0.000000       5.656932 
1 1 1 -32 -5  29 o ?       ?       -50.4008   113.374  -11.9191   334.440  -55.3973   120.510  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  30 o ?       ?       60.717     120.116  -298.8891  364.586  104.502    127.218  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  31 o 11.899  5.8863  96.075     62.868   164.359    78.169   -28.9861   105.787  12.602  6.2883  ?       ?       0.000000       6.288293 
1 1 1 -32 -5  32 o 9.8521  4.9795  8.7358     57.925   5.9339     68.115   16.056     110.096  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  33 o 11.603  5.7936  99.994     66.765   15.942     83.724   246.803    110.650  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  34 o 10.497  5.2935  49.958     63.166   52.393     77.561   45.161     108.849  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  35 o 11.009  5.4886  73.693     58.992   59.081     77.083   94.349     91.649   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -5  36 o 10.766  5.3782  69.273     57.871   113.504    75.283   5.3829     90.480   11.022  5.5814  ?       ?       0.000000       5.581439 
1 1 1 -32 -5  37 o 10.397  5.2242  62.872     58.613   111.158    76.265   -6.8019    91.612   10.733  5.4536  ?       ?       0.000000       5.453563 
1 1 1 -32 -4  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -4  3  o 11.378  5.7071  90.024     68.377   0.0000     0.0000   90.024     68.377   ?       ?       11.378  5.7071  0.000000       5.707132 
1 1 1 -32 -4  4  o 9.2175  4.5764  -1.8944    39.310   0.0000     0.0000   -1.8944    39.310   ?       ?       9.2175  4.5764  0.000000       4.576366 
1 1 1 -32 -4  5  o 12.212  5.9454  90.762     56.516   0.0000     0.0000   90.762     56.516   ?       ?       12.212  5.9454  0.000000       5.945406 
1 1 1 -32 -4  6  o 9.6534  4.8425  0.3131     49.256   0.0000     0.0000   0.3131     49.256   ?       ?       9.6534  4.8425  0.000000       4.842504 
1 1 1 -32 -4  7  o ?       ?       33.962     135.719  0.0000     0.0000   33.962     135.719  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  8  o ?       ?       162.534    161.194  0.0000     0.0000   162.534    161.194  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  9  o 10.294  5.2177  17.936     66.937   0.0000     0.0000   17.936     66.937   ?       ?       10.294  5.2177  0.000000       5.217748 
1 1 1 -32 -4  10 o 14.438  6.9265  186.355    70.004   340.407    187.738  161.476    75.445   ?       ?       13.053  6.4556  0.000000       6.455605 
1 1 1 -32 -4  11 o 12.383  5.9982  88.811     55.636   172.382    72.833   -28.2767   86.210   13.605  6.6510  ?       ?       0.000000       6.650997 
1 1 1 -32 -4  12 o 11.753  5.7412  69.168     53.972   58.425     73.392   81.819     79.647   10.962  5.5464  11.242  5.6976  -0.2800264     7.951437 
1 1 1 -32 -4  13 o ?       ?       -43.1751   81.738   -89.1644   263.812  -38.2915   85.968   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  14 o ?       ?       97.767     113.861  -221.8488  264.842  170.237    126.111  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  15 o ?       ?       -84.6610   52.438   -57.8360   63.230   -143.7484  93.843   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  16 o 10.543  5.3004  32.649     60.801   16.806     76.354   60.107     100.517  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  17 o 10.212  5.1364  17.968     57.436   -15.4931   77.615   58.473     85.394   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  18 o 9.7394  4.8936  1.0133     51.389   -41.3214   74.778   38.899     70.740   ?       ?       10.610  5.3766  0.000000       5.376628 
1 1 1 -32 -4  19 o 8.9783  4.5631  -39.1370   53.668   -25.4444   77.544   -51.7257   74.353   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  20 o 11.125  5.5322  55.474     58.362   -22.9665   84.157   128.151    81.006   ?       ?       11.929  6.0127  0.000000       6.012657 
1 1 1 -32 -4  21 o 11.319  5.6530  68.636     63.751   140.630    85.473   -21.6369   95.709   11.963  6.0467  ?       ?       0.000000       6.046651 
1 1 1 -32 -4  22 o 10.785  5.4839  52.827     78.227   58.996     91.509   36.083     150.760  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  23 o ?       ?       34.345     80.916   9.4698     92.698   113.965    165.845  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  24 o 10.423  5.2682  26.085     64.886   7.9991     87.506   48.173     96.708   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  25 o 9.5208  4.8367  -20.5525   59.817   -59.6300   72.143   65.405     106.998  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  26 o 10.345  5.2154  22.424     61.068   45.777     74.015   -27.3741   108.081  10.731  5.4442  ?       ?       0.000000       5.444185 
1 1 1 -32 -4  27 o 12.803  6.2879  130.582    67.463   126.469    83.332   138.405    114.924  11.829  5.9782  ?       ?       0.000000       5.978204 
1 1 1 -32 -4  28 o ?       ?       201.852    129.042  668.391    352.489  129.650    138.668  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  29 o ?       ?       133.950    125.395  239.780    347.752  118.133    134.439  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  30 o 12.422  6.1460  124.679    68.608   196.216    85.325   -6.1772    115.400  12.870  6.4441  ?       ?       0.000000       6.444122 
1 1 1 -32 -4  31 o 15.923  7.4866  253.118    74.028   217.355    94.909   308.676    118.295  12.524  6.3338  ?       ?       0.000000       6.333780 
1 1 1 -32 -4  32 o 10.032  5.0667  16.780     59.225   71.505     69.974   -121.4401  111.206  11.001  5.5505  ?       ?       0.000000       5.550498 
1 1 1 -32 -4  33 o 10.443  5.2637  41.337     62.027   97.150     75.212   -77.3379   109.673  11.223  5.6727  ?       ?       0.000000       5.672739 
1 1 1 -32 -4  34 o 10.894  5.4780  71.311     65.090   35.855     80.806   136.825    109.842  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  35 o 9.1814  4.6661  -12.2513   56.076   20.218     71.543   -63.9753   90.298   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  36 o ?       ?       -35.7842   54.611   -77.2740   70.504   26.446     86.346   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -4  37 o ?       ?       37.606     73.334   -10.6708   77.990   406.095    215.465  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -3  2  o ?       ?       -172.0921  11.646   0.0000     0.0000   -172.0921  11.646   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  3  o 9.7920  4.8174  13.510     40.140   0.0000     0.0000   13.510     40.140   ?       ?       9.7920  4.8174  0.000000       4.817358 
1 1 1 -32 -3  4  o ?       ?       -67.9070   44.423   0.0000     0.0000   -67.9070   44.423   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  5  o ?       ?       -127.8372  46.572   0.0000     0.0000   -127.8372  46.572   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  6  o ?       ?       -40.0088   55.485   0.0000     0.0000   -40.0088   55.485   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  7  o ?       ?       182.288    167.254  0.0000     0.0000   182.288    167.254  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  8  o ?       ?       -130.4924  128.613  0.0000     0.0000   -130.4924  128.613  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  9  o 10.953  5.5010  49.929     64.538   357.160    182.170  5.8343     69.014   ?       ?       10.139  5.1551  0.000000       5.155086 
1 1 1 -32 -3  10 o 16.247  7.2766  177.438    59.141   224.223    76.456   107.745    93.316   14.855  7.1546  ?       ?       0.000000       7.154602 
1 1 1 -32 -3  11 o ?       ?       -61.2406   48.406   -11.2724   61.305   -143.9811  78.887   9.7421  4.9439  ?       ?       0.000000       4.943913 
1 1 1 -32 -3  12 o ?       ?       -46.6193   75.273   -157.6209  257.566  -36.2534   78.709   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  13 o ?       ?       -77.2546   74.763   -236.6761  264.585  -63.4213   77.939   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  14 o 9.4149  4.7788  -23.1270   57.466   -31.3118   72.520   -9.3146    94.208   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  15 o 10.675  5.3589  37.738     60.862   25.778     77.519   56.959     98.269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  16 o 10.036  5.0836  6.0001     62.793   -1.8181    77.554   20.880     106.993  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  17 o 10.317  5.2044  21.441     61.333   46.710     76.151   -25.2167   103.477  10.720  5.4469  ?       ?       0.000000       5.446851 
1 1 1 -32 -3  18 o 10.196  5.1208  17.096     55.945   -2.3726    83.888   32.692     75.080   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  19 o 10.705  5.3553  38.476     58.332   -17.5257   83.040   93.027     81.958   ?       ?       11.338  5.7498  0.000000       5.749842 
1 1 1 -32 -3  20 o 9.8989  5.0147  -0.3176    61.194   -73.4139   83.291   85.415     90.204   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  21 o ?       ?       2.1976     74.479   -20.4304   83.976   85.602     161.224  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  22 o ?       ?       -31.3834   78.680   9.5610     89.593   -169.4103  164.497  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  23 o ?       ?       -14.2732   76.773   -5.6572    86.217   -47.2683   168.718  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  24 o 10.516  5.3074  29.845     64.287   85.779     87.697   -35.1239   94.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  25 o 13.661  6.5987  151.099    66.218   169.529    85.019   122.679    105.578  12.567  6.3120  ?       ?       0.000000       6.311959 
1 1 1 -32 -3  26 o 10.591  5.3263  33.189     61.652   -49.7245   79.084   161.644    98.435   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  27 o 10.609  5.3471  35.211     64.009   -0.1238    74.472   135.122    125.227  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  28 o ?       ?       154.402    125.265  -26.8124   369.096  177.992    133.168  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  29 o ?       ?       13.537     118.596  39.254     345.072  10.092     126.289  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  30 o 9.6012  4.8775  -13.3710   60.815   -56.4660   76.571   60.258     100.086  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  31 o 10.747  5.4086  49.393     64.129   63.109     82.876   28.925     101.242  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  32 o ?       ?       -37.1383   59.309   85.939     74.905   -243.9698  97.102   11.140  5.6331  ?       ?       0.000000       5.633093 
1 1 1 -32 -3  33 o 13.011  6.3991  165.458    70.674   108.310    92.381   246.105    109.742  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  34 o 13.029  6.3429  150.329    64.288   207.630    88.823   87.289     93.165   12.261  6.1940  ?       ?       0.000000       6.194026 
1 1 1 -32 -3  35 o 10.985  5.4962  78.687     61.556   -6.4504    81.313   192.979    94.212   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  36 o 9.9667  5.0143  35.679     54.910   -10.9039   70.320   108.463    87.898   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -3  37 o ?       ?       -3.4817    69.790   -18.0326   74.238   107.154    204.704  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -32 -2  2  o 8.3798  4.1598  -14.8890   32.423   0.0000     0.0000   -14.8890   32.423   ?       ?       8.3798  4.1598  0.000000       4.159752 
1 1 1 -32 -2  3  o ?       ?       -62.2752   49.373   0.0000     0.0000   -62.2752   49.373   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  4  o ?       ?       -80.7223   42.772   0.0000     0.0000   -80.7223   42.772   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  5  o 10.859  5.4647  48.113     65.469   0.0000     0.0000   48.113     65.469   ?       ?       10.859  5.4647  0.000000       5.464651 
1 1 1 -32 -2  6  o ?       ?       181.508    145.343  0.0000     0.0000   181.508    145.343  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  7  o ?       ?       -155.4458  125.144  0.0000     0.0000   -155.4458  125.144  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  8  o 11.547  5.8018  85.388     72.198   0.0000     0.0000   85.388     72.198   ?       ?       11.547  5.8018  0.000000       5.801758 
1 1 1 -32 -2  9  o 23.095  8.7179  306.315    66.731   235.742    88.389   399.857    101.760  13.740  6.8285  15.851  7.7724  -2.111351      10.34596 
1 1 1 -32 -2  10 o 10.854  5.4076  40.978     56.856   -10.3108   73.825   115.745    89.135   ?       ?       11.582  5.8861  0.000000       5.886066 
1 1 1 -32 -2  11 o ?       ?       -75.6372   83.607   -384.1102  192.993  -4.3700    92.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  12 o ?       ?       94.042     92.295   277.278    281.844  72.033     97.681   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  13 o 11.047  5.5985  65.851     76.757   -256.6335  281.435  91.766     79.782   ?       ?       11.410  5.7743  0.000000       5.774299 
1 1 1 -32 -2  14 o 13.323  6.4480  134.962    63.952   178.241    88.383   87.404     92.650   12.522  6.3077  ?       ?       0.000000       6.307685 
1 1 1 -32 -2  15 o 11.126  5.5650  57.970     62.837   83.895     78.071   10.285     105.882  11.304  5.7197  ?       ?       0.000000       5.719664 
1 1 1 -32 -2  16 o 12.484  6.1671  120.317    68.150   130.950    84.496   100.524    115.278  11.884  6.0071  ?       ?       0.000000       6.007096 
1 1 1 -32 -2  17 o 12.311  6.0912  112.433    67.432   119.230    86.154   101.686    108.338  11.640  5.9022  ?       ?       0.000000       5.902240 
1 1 1 -32 -2  18 o 9.2786  4.7173  -31.2452   57.722   -40.7491   84.765   -23.0276   78.820   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  19 o 10.261  5.1419  19.554     54.852   110.267    79.267   -63.7947   75.981   11.716  5.9106  ?       ?       0.000000       5.910636 
1 1 1 -32 -2  20 o 9.9058  4.9861  4.4443     54.656   -85.0920   69.081   154.296    89.369   ?       ?       12.068  6.1079  0.000000       6.107870 
1 1 1 -32 -2  21 o 12.419  6.1752  128.755    72.658   98.953     80.285   263.636    170.803  11.500  5.8168  ?       ?       0.000000       5.816758 
1 1 1 -32 -2  22 o ?       ?       -9.2342    172.519  0.0000     0.0000   -9.2342    172.519  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  23 o ?       ?       -96.1379   50.525   -102.7849  60.896   -81.4524   90.514   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  24 o 12.950  6.3133  124.245    64.352   112.276    84.100   141.152    99.955   11.641  5.8951  ?       ?       0.000000       5.895136 
1 1 1 -32 -2  25 o 11.163  5.5886  59.267     64.041   72.777     81.535   37.510     103.470  11.099  5.6395  ?       ?       0.000000       5.639475 
1 1 1 -32 -2  26 o 9.7344  4.9433  -12.2934   62.030   -42.2707   78.426   37.793     101.373  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  27 o ?       ?       -107.4113  108.502  -65.1909   350.182  -111.8951  114.118  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  28 o ?       ?       74.457     119.157  -201.2103  342.610  112.389    127.090  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  29 o 11.069  5.5550  59.914     65.209   20.146     83.549   121.897    104.306  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  30 o 9.9874  5.0300  10.761     56.047   58.706     70.339   -72.6162   92.757   10.898  5.5062  ?       ?       0.000000       5.506225 
1 1 1 -32 -2  31 o 10.319  5.2231  28.111     65.462   30.719     87.137   24.732     99.181   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  32 o 11.199  5.6398  83.517     70.401   87.238     93.339   78.607     107.222  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  33 o 10.385  5.2585  42.400     66.755   -35.5576   94.932   118.654    93.889   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  34 o ?       ?       -61.0472   54.700   -45.3940   80.935   -74.2096   74.217   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  35 o 10.131  5.1355  42.824     64.912   133.601    91.350   -49.7606   92.255   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -2  36 o ?       ?       74.954     82.959   36.365     94.608   203.353    172.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  1  o 13.238  6.1339  94.280     46.829   0.0000     0.0000   94.280     46.829   ?       ?       13.238  6.1339  0.000000       6.133892 
1 1 1 -32 -1  2  o ?       ?       -32.9169   57.488   0.0000     0.0000   -32.9169   57.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  3  o ?       ?       -25.2729   61.188   0.0000     0.0000   -25.2729   61.188   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  4  o 12.285  6.0672  107.902    65.802   0.0000     0.0000   107.902    65.802   ?       ?       12.285  6.0672  0.000000       6.067158 
1 1 1 -32 -1  5  f ?       ?       6.4245     136.524  0.0000     0.0000   6.4245     136.524  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  6  o ?       ?       188.985    159.180  0.0000     0.0000   188.985    159.180  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  7  o 10.884  5.4625  44.705     63.026   0.0000     0.0000   44.705     63.026   ?       ?       10.884  5.4625  0.000000       5.462464 
1 1 1 -32 -1  8  o 9.7415  4.8642  1.8459     47.095   -25.5812   65.631   30.958     67.617   ?       ?       10.586  5.3529  0.000000       5.352881 
1 1 1 -32 -1  9  o 10.096  5.0756  9.7565     55.711   -70.2137   74.521   111.078    83.881   ?       ?       11.676  5.9102  0.000000       5.910213 
1 1 1 -32 -1  10 o 11.951  5.9075  87.264     62.872   110.197    77.019   41.456     108.853  11.877  5.9707  ?       ?       0.000000       5.970669 
1 1 1 -32 -1  11 f ?       ?       -5.2633    94.986   -225.6396  196.881  61.594     108.442  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  12 o ?       ?       66.243     82.176   247.131    262.214  46.543     86.535   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  13 o 9.7015  4.8991  -6.2777    55.226   4.2985     81.568   -15.2295   75.043   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  14 o 14.673  6.9162  168.073    63.901   140.089    89.594   197.048    91.166   11.867  6.0175  12.698  6.3976  -0.8305979     8.782884 
1 1 1 -32 -1  15 o 11.325  5.6289  62.871     60.080   45.720     74.163   95.618     102.479  10.745  5.4512  ?       ?       0.000000       5.451193 
1 1 1 -32 -1  16 o 14.013  6.6856  151.020    63.314   137.498    79.441   174.564    104.826  12.234  6.1389  ?       ?       0.000000       6.138938 
1 1 1 -32 -1  17 o 12.714  6.1702  106.611    59.573   131.070    72.751   56.834     103.787  12.469  6.1969  ?       ?       0.000000       6.196856 
1 1 1 -32 -1  18 o 10.885  5.4193  43.903     56.714   85.687     68.137   -50.3312   102.325  11.622  5.8101  ?       ?       0.000000       5.810098 
1 1 1 -32 -1  19 o 10.852  5.4090  42.785     57.149   82.674     73.224   -19.3799   91.411   11.404  5.7443  ?       ?       0.000000       5.744301 
1 1 1 -32 -1  20 o 10.740  5.4153  41.838     66.002   43.043     71.998   35.490     165.194  10.718  5.4308  ?       ?       0.000000       5.430809 
1 1 1 -32 -1  21 o ?       ?       -155.9664  165.406  0.0000     0.0000   -155.9664  165.406  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  22 o 8.9233  4.5382  -44.4579   53.749   24.117     69.908   -143.5993  84.057   10.424  5.2888  ?       ?       0.000000       5.288762 
1 1 1 -32 -1  23 o 11.580  5.7426  72.399     61.201   61.282     80.221   87.881     94.665   10.954  5.5683  ?       ?       0.000000       5.568291 
1 1 1 -32 -1  24 o 13.163  6.4333  140.694    68.025   121.567    88.363   168.521    106.580  11.671  5.9242  ?       ?       0.000000       5.924249 
1 1 1 -32 -1  25 o 9.5139  4.8386  -24.8337   61.103   -81.4466   78.403   62.748     97.517   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  26 o ?       ?       33.074     117.244  491.401    338.169  -29.5441   124.997  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  27 o ?       ?       50.929     123.756  -167.2027  345.066  83.127     132.575  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  28 o ?       ?       -140.2401  90.896   33.322     332.417  -154.2661  94.498   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  29 o 9.3330  4.7431  -26.4886   57.920   11.153     71.594   -97.7939   98.538   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  30 o 9.9489  5.0579  3.5743     66.292   64.110     92.271   -61.0063   95.304   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  31 o ?       ?       -43.9894   62.928   -65.7058   82.978   -14.5931   96.542   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  32 o 11.171  5.6359  86.713     72.113   35.494     94.113   159.544    112.227  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  33 o ?       ?       -43.5256   58.360   -48.8835   84.320   -38.5989   80.855   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  34 o ?       ?       -75.5425   58.844   46.239     83.767   -194.1810  82.679   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  35 o 9.8219  4.9792  27.579     61.084   19.347     89.683   34.702     83.428   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 -1  36 o ?       ?       -88.4096   76.470   -81.0341   84.609   -121.3059  178.689  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   1  f 9.9915  5.0493  11.847     59.390   0.0000     0.0000   11.847     59.390   ?       ?       9.9915  5.0493  0.000000       5.049323 
1 1 1 -32 0   2  o 9.6422  4.8912  -10.1137   59.573   0.0000     0.0000   -10.1137   59.573   ?       ?       9.6422  4.8912  0.000000       4.891151 
1 1 1 -32 0   3  o ?       ?       -56.5481   54.613   0.0000     0.0000   -56.5481   54.613   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   4  o ?       ?       -88.6165   133.477  0.0000     0.0000   -88.6165   133.477  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   5  o ?       ?       111.880    158.097  0.0000     0.0000   111.880    158.097  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   6  o ?       ?       -51.9763   58.553   0.0000     0.0000   -51.9763   58.553   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   7  o ?       ?       -39.9048   56.977   -159.4015  179.537  -26.5217   60.083   ?       ?       9.4847  4.8212  0.000000       4.821213 
1 1 1 -32 0   8  f ?       ?       225.571    141.332  153.715    359.768  238.684    153.688  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   9  o 11.749  5.8341  81.096     63.996   89.412     80.983   67.267     104.431  11.409  5.7784  ?       ?       0.000000       5.778374 
1 1 1 -32 0   10 o ?       ?       -73.6199   88.078   -308.8700  193.749  -12.3387   98.887   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   11 o ?       ?       42.119     79.330   53.399     204.888  40.130     86.041   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   12 o 9.3057  4.6716  -12.4044   46.282   55.989     58.988   -121.9332  74.648   11.197  5.5670  ?       ?       0.000000       5.566977 
1 1 1 -32 0   13 o 10.534  5.2313  28.976     51.503   -33.3572   68.109   112.215    78.707   ?       ?       11.807  5.9485  0.000000       5.948504 
1 1 1 -32 0   14 o 11.811  5.7428  68.039     52.276   78.024     68.435   54.049     81.004   11.455  5.7410  ?       ?       0.000000       5.740967 
1 1 1 -32 0   15 o 10.886  5.4148  43.269     56.051   87.518     68.565   -45.8748   97.319   11.659  5.8286  ?       ?       0.000000       5.828636 
1 1 1 -32 0   16 o 10.108  5.0846  12.122     56.326   33.592     67.343   -37.8728   102.763  10.575  5.3471  ?       ?       0.000000       5.347133 
1 1 1 -32 0   17 o 11.154  5.5464  55.088     58.658   82.832     71.084   -4.1239    103.847  11.470  5.7620  ?       ?       0.000000       5.762013 
1 1 1 -32 0   18 o 11.511  5.6436  61.667     53.622   38.277     70.425   93.932     82.715   10.645  5.3913  11.367  5.7656  -0.7214241     7.893601 
1 1 1 -32 0   19 o 11.013  5.5715  61.421     73.928   43.572     80.711   154.419    184.234  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   20 f ?       ?       -155.2225  155.327  0.0000     0.0000   -155.2225  155.327  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   21 o 12.285  6.1588  137.777    79.012   183.386    87.365   -67.1001   185.165  12.695  6.3788  ?       ?       0.000000       6.378827 
1 1 1 -32 0   22 o ?       ?       -76.6724   53.244   -60.2417   69.347   -100.2683  83.104   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   23 o 11.583  5.7587  74.689     63.096   121.057    82.237   8.3325     98.378   11.864  5.9896  ?       ?       0.000000       5.989574 
1 1 1 -32 0   24 o 13.386  6.5101  144.984    67.263   83.186     89.792   224.004    101.535  ?       ?       12.601  6.3912  0.000000       6.391244 
1 1 1 -32 0   25 o ?       ?       -31.5046   65.694   -50.9127   77.382   18.582     124.312  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   26 o ?       ?       -32.5363   119.162  228.160    333.311  -70.7396   127.595  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   27 o ?       ?       167.712    125.081  258.725    349.681  154.359    133.943  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   28 o 10.767  5.4078  43.286     62.365   39.274     77.588   50.609     104.831  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   29 o ?       ?       -25.7093   63.130   15.098     85.430   -74.8014   93.701   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   30 o 10.383  5.2693  31.083     69.728   96.922     95.849   -42.9287   101.624  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   31 o ?       ?       -6.5423    68.004   -86.1267   92.643   86.438     100.137  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   32 o ?       ?       -67.4899   65.269   -114.5983  85.208   -0.6009    101.533  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   33 o ?       ?       -21.5984   67.033   -5.2940    88.873   -43.1136   102.092  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   34 o 10.076  5.1212  39.254     67.616   81.872     93.442   -7.5889    97.966   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 0   35 o ?       ?       40.972     86.252   50.266     96.089   2.4239     195.686  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   1  o 12.109  6.0341  118.951    70.920   0.0000     0.0000   118.951    70.920   ?       ?       12.109  6.0341  0.000000       6.034116 
1 1 1 -32 1   2  o ?       ?       -99.0088   55.726   0.0000     0.0000   -99.0088   55.726   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   3  o ?       ?       189.400    163.708  0.0000     0.0000   189.400    163.708  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   4  o ?       ?       141.187    174.496  0.0000     0.0000   141.187    174.496  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   5  o ?       ?       -54.0072   58.775   0.0000     0.0000   -54.0072   58.775   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   6  o ?       ?       -49.3472   53.607   -84.0614   169.273  -45.4774   56.516   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   7  o 15.897  7.2087  174.124    60.115   89.998     85.042   258.148    84.990   11.343  5.7628  14.740  7.2012  -3.397278      9.223188 
1 1 1 -32 1   8  o 11.932  5.8278  74.185     55.560   116.840    67.424   -16.0635   98.071   12.551  6.1877  ?       ?       0.000000       6.187746 
1 1 1 -32 1   9  o ?       ?       51.070     93.681   96.169     277.456  45.267     99.526   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   10 o ?       ?       -14.7189   90.837   65.917     195.807  -36.8318   102.539  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   11 o 10.848  5.3799  39.913     53.747   13.506     67.047   87.391     89.902   10.247  5.1968  ?       ?       0.000000       5.196846 
1 1 1 -32 1   12 o 10.627  5.2734  32.057     51.946   -28.3839   68.174   115.723    80.211   ?       ?       11.823  5.9622  0.000000       5.962215 
1 1 1 -32 1   13 o 12.066  5.8963  82.481     57.096   86.040     76.640   78.041     85.593   11.396  5.7566  ?       ?       0.000000       5.756629 
1 1 1 -32 1   14 o 12.190  5.9259  83.557     55.595   119.939    73.511   34.944     84.975   12.179  6.0807  ?       ?       0.000000       6.080737 
1 1 1 -32 1   15 o 10.108  5.0786  12.492     55.318   -77.4287   71.254   148.917    87.766   ?       ?       12.066  6.1011  0.000000       6.101099 
1 1 1 -32 1   16 o 11.450  5.6713  66.123     59.028   96.273     71.169   -0.3305    105.660  11.752  5.8847  ?       ?       0.000000       5.884706 
1 1 1 -32 1   17 o 10.042  5.0391  10.610     53.590   42.563     72.804   -27.1755   79.171   10.703  5.4268  ?       ?       0.000000       5.426791 
1 1 1 -32 1   18 o ?       ?       4.8614     72.583   -39.8169   81.748   171.279    157.771  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   19 o ?       ?       81.140     180.578  0.0000     0.0000   81.140     180.578  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   20 o ?       ?       83.641     85.852   68.744     99.024   128.734    172.280  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   21 o ?       ?       -34.4693   60.317   -25.0755   83.287   -44.8303   87.470   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   22 o 10.422  5.2526  23.992     61.747   28.939     84.943   18.449     89.916   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   23 o 13.479  6.5867  160.836    71.238   192.983    100.692  128.620    100.800  12.223  6.2157  ?       ?       0.000000       6.215736 
1 1 1 -32 1   24 o 12.811  6.2808  124.674    66.397   130.389    89.281   117.603    99.317   11.775  5.9745  ?       ?       0.000000       5.974463 
1 1 1 -32 1   25 o ?       ?       65.808     104.962  -73.3983   299.893  85.241     112.049  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   26 o ?       ?       144.632    122.261  522.195    325.785  82.741     131.901  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   27 o 10.718  5.4046  41.624     65.818   48.053     84.495   31.702     104.962  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   28 f 11.080  5.5857  65.565     70.017   80.390     92.572   45.747     107.034  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   29 o 11.252  5.6558  76.309     69.033   129.620    92.214   8.3411     104.122  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   30 o 12.961  6.4179  171.005    75.390   95.391     99.804   271.486    115.050  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   31 o 10.311  5.2335  34.560     68.929   53.725     92.118   10.179     103.902  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   32 o ?       ?       -87.2492   64.934   -80.5255   85.026   -96.6584   100.584  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   33 f 11.053  5.5782  95.039     70.962   83.141     91.133   113.363    113.099  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   34 o ?       ?       61.587     89.048   103.082    99.061   -113.0984  203.250  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 1   35 o ?       ?       126.966    92.401   91.341     102.977  274.165    209.323  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   1  o ?       ?       -4.2867    65.878   0.0000     0.0000   -4.2867    65.878   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   2  o ?       ?       102.150    164.633  0.0000     0.0000   102.150    164.633  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   3  o ?       ?       80.123     153.314  0.0000     0.0000   80.123     153.314  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   4  o 10.494  5.3066  27.304     66.443   0.0000     0.0000   27.304     66.443   ?       ?       10.494  5.3066  0.000000       5.306558 
1 1 1 -32 2   5  o 11.232  5.6424  64.903     68.150   0.0000     0.0000   64.903     68.150   ?       ?       11.232  5.6424  0.000000       5.642376 
1 1 1 -32 2   6  o 11.284  5.5547  52.789     53.649   19.361     67.111   111.970    89.295   10.379  5.2571  11.550  5.8716  -1.171087      7.881197 
1 1 1 -32 2   7  o 21.209  8.7974  333.688    74.294   181.857    94.365   581.240    120.494  12.381  6.2671  16.774  8.2704  -4.393262      10.37677 
1 1 1 -32 2   8  o 12.469  6.3312  211.804    101.534  268.285    283.282  203.479    108.759  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   9  o ?       ?       -41.1923   90.787   -182.8302  276.100  -24.0217   96.132   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   10 o 10.800  5.3699  38.645     54.893   35.019     68.287   45.269     92.286   10.627  5.3744  ?       ?       0.000000       5.374378 
1 1 1 -32 2   11 o 11.217  5.5720  56.504     58.563   7.7261     73.428   141.763    97.078   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   12 o 14.630  6.9405  176.160    66.317   170.893    86.770   183.559    102.838  12.501  6.2910  ?       ?       0.000000       6.291015 
1 1 1 -32 2   13 o 10.445  5.2657  26.203     62.282   -5.5219    91.269   53.851     85.203   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   14 o 9.3262  4.7417  -30.1733   58.361   -66.9054   84.885   2.7552     80.370   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   15 o 10.318  5.2161  19.989     63.821   92.373     92.450   -45.9117   88.212   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   16 o ?       ?       -43.5334   60.485   7.4467     94.640   -78.7342   78.641   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   17 o 10.799  5.4090  42.256     60.314   69.449     88.788   18.956     82.187   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   18 o ?       ?       128.732    95.069   111.984    110.189  177.508    188.040  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   19 o ?       ?       36.874     182.520  0.0000     0.0000   36.874     182.520  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   20 o 10.774  5.4176  42.078     63.687   -2.5308    92.368   82.502     87.930   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   21 o ?       ?       -40.9599   59.868   -70.3323   82.929   -8.9911    86.517   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   22 o 11.593  5.8000  83.130     68.472   99.653     97.389   66.979     96.288   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   23 o 15.789  7.4691  246.091    75.758   260.777    104.737  229.977    109.712  12.920  6.5467  ?       ?       0.000000       6.546659 
1 1 1 -32 2   24 o ?       ?       116.847    109.492  -110.4533  301.159  151.469    117.535  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   25 o ?       ?       -54.7266   98.278   -227.5876  291.507  -32.5594   104.389  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   26 o 10.901  5.4815  50.103     65.190   72.602     86.867   21.094     98.635   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   27 o 9.6992  4.9318  -12.6429   63.240   31.182     81.203   -80.1908   100.814  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   28 o 10.174  5.1694  15.704     68.485   100.235    89.865   -101.4064  105.774  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   29 o 11.034  5.5740  71.402     71.886   106.260    94.834   24.319     110.216  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   30 o ?       ?       25.677     70.989   -15.1937   93.202   82.147     109.555  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   31 o ?       ?       10.196     70.708   -18.4500   96.435   43.502     103.984  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   32 o ?       ?       -48.7301   68.409   -122.8584  89.902   53.226     105.435  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   33 o 10.710  5.4374  88.448     74.772   28.822     98.864   168.137    114.293  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 2   34 o ?       ?       63.634     90.697   33.213     100.876  191.970    207.191  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   1  o ?       ?       29.580     126.365  0.0000     0.0000   29.580     126.365  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   2  o ?       ?       145.746    143.594  0.0000     0.0000   145.746    143.594  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   3  o 11.668  5.8429  90.438     70.202   0.0000     0.0000   90.438     70.202   ?       ?       11.668  5.8429  0.000000       5.842940 
1 1 1 -32 3   4  o 11.917  5.9682  106.121    73.364   0.0000     0.0000   106.121    73.364   ?       ?       11.917  5.9682  0.000000       5.968181 
1 1 1 -32 3   5  o 10.446  5.2099  25.037     53.403   1.4130     65.672   71.149     91.753   10.043  5.0987  ?       ?       0.000000       5.098723 
1 1 1 -32 3   6  o 12.148  5.9607  88.806     60.165   109.185    69.895   30.514     118.213  12.181  6.0569  ?       ?       0.000000       6.056853 
1 1 1 -32 3   7  f ?       ?       50.495     88.600   152.885    242.680  34.748     95.169   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   8  o ?       ?       20.922     89.563   56.128     277.405  16.825     94.630   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   9  o 11.559  5.7641  76.757     65.193   122.886    94.603   35.040     89.965   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   10 o 10.055  5.0910  5.4645     62.457   20.787     84.519   -12.9683   92.702   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   11 o ?       ?       -5.4616    74.023   -14.9532   81.258   40.831     179.454  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   12 o 12.058  6.0248  113.166    72.787   98.705     91.665   137.845    119.747  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   13 o 12.714  6.2362  121.629    65.667   114.729    97.208   127.420    89.059   ?       ?       11.686  5.9334  0.000000       5.933362 
1 1 1 -32 3   14 o 10.342  5.2256  21.615     63.385   5.4180     92.333   36.052     87.171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   15 o ?       ?       -28.7685   66.960   11.804     91.824   -74.8474   97.857   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   16 o 9.4366  4.7993  -26.0946   60.117   -97.6220   86.253   41.479     83.836   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   17 o ?       ?       79.740     89.275   88.661     101.586  49.479     187.095  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   18 o ?       ?       -54.3726   178.439  0.0000     0.0000   -54.3726   178.439  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   19 o 12.042  5.9878  103.377    68.312   46.553     105.349  144.605    89.735   ?       ?       11.917  6.0407  0.000000       6.040724 
1 1 1 -32 3   20 o 9.8863  5.0027  -1.1634    59.782   -48.2679   84.457   46.137     84.632   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   21 o ?       ?       -30.8482   60.113   -41.1220   82.080   -18.9631   88.283   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   22 o 11.824  5.8980  93.718     68.482   92.112     95.156   95.443     98.634   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   23 o ?       ?       -9.0064    101.556  14.335     287.049  -12.3461   108.579  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   24 o ?       ?       -72.9202   98.323   -224.5818  289.517  -53.1477   104.536  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   25 o ?       ?       171.432    117.491  598.214    313.021  101.445    126.759  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   26 o 12.149  6.0373  111.836    69.016   106.838    91.860   118.313    104.579  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   27 o 12.391  6.1709  136.199    73.711   118.049    104.571  154.124    103.920  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   28 o ?       ?       -22.7214   66.990   -64.5981   89.614   30.320     100.855  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   29 o 10.554  5.3565  47.737     72.060   8.4990     95.073   100.713    110.469  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   30 o 11.046  5.5903  86.890     74.865   82.565     100.372  92.313     112.397  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   31 o 12.724  6.3382  189.750    78.000   206.121    107.504  171.552    113.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   32 o ?       ?       70.818     74.975   1.4510     99.914   160.222    113.429  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   33 o ?       ?       -15.5456   87.080   -50.7346   96.247   143.232    204.445  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 3   34 f ?       ?       83.902     90.850   66.336     102.577  147.817    195.664  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   1  o ?       ?       165.220    159.339  0.0000     0.0000   165.220    159.339  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   2  o ?       ?       -90.5061   63.333   0.0000     0.0000   -90.5061   63.333   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   3  o 10.981  5.5509  58.721     72.196   0.0000     0.0000   58.721     72.196   ?       ?       10.981  5.5509  0.000000       5.550923 
1 1 1 -32 4   4  o 9.9571  5.0392  1.3388     60.814   197.531    224.644  -14.1760   63.173   ?       ?       9.7250  4.9434  0.000000       4.943370 
1 1 1 -32 4   5  o 10.993  5.5426  55.208     69.141   -15.5529   86.628   179.390    114.759  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   6  o ?       ?       73.475     106.938  197.888    230.027  39.173     120.784  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   7  o ?       ?       113.149    90.926   156.247    253.743  106.799    97.394   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   8  o 13.555  6.5813  152.947    68.006   73.186     97.167   229.532    95.213   ?       ?       13.031  6.5620  0.000000       6.561989 
1 1 1 -32 4   9  o ?       ?       -127.9315  53.234   -164.5821  79.420   -98.0312   71.734   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   10 o ?       ?       -25.7861   61.098   -56.6438   83.211   10.311     89.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   11 o 10.216  5.1683  14.829     63.610   102.168    85.549   -93.1611   95.127   11.412  5.7961  ?       ?       0.000000       5.796105 
1 1 1 -32 4   12 o 10.029  5.0895  3.8470     65.016   58.878     87.153   -65.2103   97.630   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   13 o 11.625  5.8030  84.505     66.836   136.457    97.262   38.024     91.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   14 o 10.134  5.1281  11.389     62.809   24.394     94.757   1.1965     83.884   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   15 o ?       ?       -32.7041   62.779   -97.9964   94.260   19.348     84.161   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   16 o ?       ?       -56.3754   87.707   -23.5991   100.679  -159.5532  178.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   17 f ?       ?       108.567    182.005  0.0000     0.0000   108.567    182.005  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   18 o 9.9567  5.0487  1.1906     63.039   -41.8876   100.389  29.237     81.001   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   19 o ?       ?       -29.6413   59.556   -18.1715   84.609   -40.9056   83.847   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   20 o ?       ?       -37.4927   60.107   59.472     85.937   -130.3567  84.100   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   21 o 10.054  5.0922  5.9313     62.929   18.778     89.381   -6.6962    88.614   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   22 o ?       ?       163.786    121.136  0.0000     0.0000   163.786    121.136  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   23 o ?       ?       103.081    109.923  14.411     295.250  117.349    118.438  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   24 o ?       ?       176.875    125.815  0.0000     0.0000   176.875    125.815  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   25 o 10.362  5.2517  24.798     67.702   -123.2748  92.416   196.312    99.462   ?       ?       12.171  6.1881  0.000000       6.188068 
1 1 1 -32 4   26 o 11.324  5.6900  79.520     69.472   45.837     97.825   113.794    98.678   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   27 o 12.415  6.1791  140.521    73.457   134.693    107.315  145.660    100.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   28 o 10.572  5.3569  47.381     70.086   -6.2370    97.040   105.845    101.331  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   29 o 10.066  5.1145  21.367     67.070   145.964    94.948   -102.7227  94.754   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   30 o ?       ?       -61.4358   67.576   -100.0375  92.001   -16.2110   99.581   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   31 o ?       ?       64.271     75.354   -50.9051   100.912  209.439    113.291  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   32 o ?       ?       65.128     92.508   93.953     104.823  -36.3798   196.709  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 4   33 o ?       ?       14.087     90.362   -59.2125   99.936   342.600    211.568  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   1  o 10.523  5.3494  38.152     74.058   0.0000     0.0000   38.152     74.058   ?       ?       10.523  5.3494  0.000000       5.349439 
1 1 1 -32 5   2  o ?       ?       -57.8879   71.656   0.0000     0.0000   -57.8879   71.656   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   3  o ?       ?       -81.7169   51.822   0.0000     0.0000   -81.7169   51.822   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   4  o 10.699  5.3230  36.073     54.313   71.892     84.566   10.925     70.859   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   5  o ?       ?       -8.4734    105.189  -39.2315   217.886  0.8739     120.114  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   6  o ?       ?       244.840    119.682  562.756    249.607  149.929    136.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   7  o 12.854  6.2955  126.829    66.196   84.798     95.192   166.187    92.115   ?       ?       12.163  6.1605  0.000000       6.160455 
1 1 1 -32 5   8  o 12.204  6.0436  106.404    66.921   203.247    97.617   20.535     91.920   12.446  6.3081  ?       ?       0.000000       6.308074 
1 1 1 -32 5   9  o ?       ?       -62.7696   54.971   3.3319     77.278   -130.4818  78.213   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   10 o ?       ?       -96.9721   57.466   -222.0157  77.022   60.040     86.308   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   11 f ?       ?       -55.6505   54.882   -71.8859   67.713   -24.5619   93.701   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   12 o 10.753  5.3882  41.646     60.152   51.279     77.458   27.011     95.475   10.767  5.4733  ?       ?       0.000000       5.473321 
1 1 1 -32 5   13 o 11.958  5.8806  85.666     59.612   83.521     79.799   88.376     89.669   11.221  5.6887  ?       ?       0.000000       5.688727 
1 1 1 -32 5   14 o 9.5621  4.8408  -12.5475   56.384   -2.4964    76.130   -24.7598   83.916   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   15 o ?       ?       -20.4382   66.435   -21.4020   72.114   -15.0317   170.796  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   16 o ?       ?       161.169    191.099  0.0000     0.0000   161.169    191.099  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   17 o 10.979  5.5783  67.230     79.726   41.801     88.194   180.906    186.467  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   18 o 9.1731  4.6508  -28.5124   53.393   -10.1588   69.601   -54.7592   83.233   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   19 o 13.103  6.4675  161.928    74.378   52.376     112.459  247.107    99.164   ?       ?       12.963  6.5483  0.000000       6.548343 
1 1 1 -32 5   20 o 12.175  6.0798  121.986    73.655   226.772    115.296  49.737     95.738   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   21 o 11.672  5.8742  102.317    75.715   155.793    105.925  46.449     108.269  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   22 o ?       ?       -31.5721   89.386   -188.1010  233.077  -4.5806    96.787   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   23 o ?       ?       54.450     105.085  -37.6933   264.672  71.694     114.497  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   24 o ?       ?       -17.4467   74.199   -0.0108    106.649  -33.8038   103.297  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   25 o ?       ?       15.500     74.213   37.346     111.628  -1.8043    99.349   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   26 o 10.430  5.3031  36.195     73.087   -85.9338   100.012  176.167    107.069  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   27 o ?       ?       -19.1133   68.651   -90.8943   92.251   69.979     102.774  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   28 o 12.933  6.4109  181.138    75.992   202.227    105.898  158.749    109.113  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   29 o ?       ?       18.500     68.107   -19.5040   97.742   54.367     94.954   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   30 o 10.607  5.3780  71.204     71.479   96.836     101.238  45.724     100.938  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   31 o ?       ?       52.371     88.469   29.316     99.209   141.892    195.490  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 5   32 o ?       ?       110.329    97.418   76.714     108.483  250.351    221.408  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   1  o ?       ?       -19.5189   91.298   0.0000     0.0000   -19.5189   91.298   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   2  o ?       ?       77.154     89.842   0.0000     0.0000   77.154     89.842   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   3  o 9.2020  4.6446  -19.2489   49.285   -19.3270   81.603   -19.2041   61.837   ?       ?       9.5616  4.8633  0.000000       4.863280 
1 1 1 -32 6   4  o 11.048  5.5494  58.587     65.779   -98.6725   236.274  71.800     68.487   ?       ?       11.269  5.6605  0.000000       5.660452 
1 1 1 -32 6   5  o ?       ?       -95.5091   98.764   -46.5768   207.132  -109.9077  112.359  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   6  o ?       ?       -71.4728   51.634   -48.9130   60.612   -131.1572  98.587   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   7  o 17.938  7.9770  260.579    69.738   220.357    94.590   308.479    103.224  12.833  6.4722  13.652  6.8691  -0.8183794     9.437863 
1 1 1 -32 6   8  o 11.891  5.8392  80.425     58.106   60.066     76.784   107.708    88.887   10.918  5.5400  ?       ?       0.000000       5.539999 
1 1 1 -32 6   9  o 10.008  5.0462  8.2828     57.346   52.120     74.460   -55.6281   89.906   10.810  5.4820  ?       ?       0.000000       5.482040 
1 1 1 -32 6   10 o 10.372  5.2094  25.018     57.924   82.147     73.122   -71.2226   94.907   11.348  5.7191  ?       ?       0.000000       5.719064 
1 1 1 -32 6   11 o 9.3371  4.7488  -28.4771   58.903   -111.9705  75.025   105.695    95.106   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   12 o 9.8023  4.9620  -2.4593    59.177   -11.2082   73.498   13.666     99.781   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   13 o 9.9963  5.0471  8.1270     58.464   -46.4071   73.360   103.052    96.787   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   14 o ?       ?       -32.0668   72.910   -48.1361   79.057   59.380     188.594  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   15 o ?       ?       36.250     78.859   38.498     86.080   24.509     196.703  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   16 o 11.461  5.8165  108.863    84.980   122.958    93.339   40.578     205.447  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   17 o 11.024  5.5237  56.198     63.225   96.778     81.810   -3.9822    99.628   11.363  5.7609  ?       ?       0.000000       5.760911 
1 1 1 -32 6   18 o 12.863  6.3915  163.819    77.296   231.967    119.097  114.224    101.601  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   19 o 10.736  5.4365  47.243     71.466   89.587     109.170  15.490     94.537   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   20 o 14.414  7.0797  260.020    85.576   297.532    121.143  222.656    120.904  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   21 o ?       ?       0.9235     86.690   -141.1376  248.268  20.649     92.513   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   22 o ?       ?       -86.1130   79.490   -241.2744  241.717  -67.2983   84.171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   23 o 11.195  5.6564  79.710     74.290   125.537    115.174  47.058     97.217   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   24 o ?       ?       49.175     76.615   58.349     118.670  42.619     100.325  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   25 o ?       ?       -77.3395   69.269   -45.0557   101.685  -105.2926  94.619   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   26 o ?       ?       -70.6476   72.932   -63.7227   112.355  -75.6902   95.877   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   27 o 11.032  5.5881  88.064     75.877   22.568     109.370  148.839    105.355  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   28 o ?       ?       -1.9059    78.192   -31.5585   115.853  22.903     105.968  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   29 o ?       ?       -69.4417   72.467   -46.2062   103.715  -91.6058   101.296  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   30 o 10.710  5.4311  89.941     73.097   67.563     100.824  114.737    106.132  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   31 o ?       ?       45.025     99.456   -0.9958    108.083  299.274    254.043  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 6   32 o ?       ?       -110.6244  85.796   -152.8530  94.066   98.340     209.250  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   1  o ?       ?       146.885    106.678  0.0000     0.0000   146.885    106.678  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   2  f 11.937  6.0426  152.154    87.815   43.496     255.343  166.730    93.519   ?       ?       11.921  6.0555  0.000000       6.055487 
1 1 1 -32 7   3  o 10.498  5.3218  34.753     69.751   304.221    241.917  10.321     72.844   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   4  o 10.243  5.1939  18.727     66.773   -25.3290   239.955  22.425     69.519   ?       ?       10.312  5.2362  0.000000       5.236166 
1 1 1 -32 7   5  o 10.433  5.2331  28.574     57.434   54.934     70.841   -21.9890   98.113   10.865  5.4926  ?       ?       0.000000       5.492593 
1 1 1 -32 7   6  o ?       ?       -63.9692   55.059   -56.5686   67.227   -79.0467   95.956   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   7  o 22.432  8.8998  342.511    72.206   455.103    98.395   211.124    106.291  17.821  8.4542  ?       ?       0.000000       8.454244 
1 1 1 -32 7   8  o 13.997  6.7130  161.709    65.676   133.640    88.388   196.309    98.134   11.723  5.9477  12.227  6.2098  -0.5041790     8.598635 
1 1 1 -32 7   9  o 10.626  5.3383  37.715     61.056   -22.8867   82.301   111.894    91.054   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   10 o 12.443  6.1088  110.713    63.492   203.261    82.996   -19.8640   98.584   13.277  6.6014  ?       ?       0.000000       6.601384 
1 1 1 -32 7   11 o ?       ?       -85.4777   55.055   -105.1857  67.658   -46.8523   94.718   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   12 o 10.743  5.4539  51.479     75.108   83.363     80.680   -155.7220  205.671  11.151  5.6602  ?       ?       0.000000       5.660187 
1 1 1 -32 7   13 o ?       ?       -127.7504  64.961   -158.0383  68.697   128.273    199.729  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   14 o ?       ?       26.272     75.806   7.4584     81.892   138.924    200.390  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   15 o ?       ?       57.142     79.618   26.312     86.245   234.915    207.103  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   16 o 11.946  5.9274  98.541     65.549   157.544    85.839   16.005     101.524  12.164  6.1382  ?       ?       0.000000       6.138237 
1 1 1 -32 7   17 o 10.875  5.5166  60.649     75.795   41.454     115.943  74.975     100.161  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   18 o 11.470  5.7998  101.889    79.316   171.914    120.379  48.167     105.439  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   19 o 11.712  5.9090  116.432    79.326   152.117    116.103  85.189     108.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   20 o ?       ?       74.924     92.142   61.482     250.468  77.028     99.091   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   21 o ?       ?       -34.6379   82.967   -102.2231  229.215  -24.4482   89.002   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   22 o 11.393  5.7481  94.285     74.999   98.132     117.080  91.607     97.669   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   23 o 10.766  5.4590  58.790     73.738   -1.4042    120.461  94.862     93.251   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   24 o ?       ?       -109.1502  67.858   -1.1850    113.738  -168.8216  84.556   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   25 o 11.436  5.7971  122.319    82.703   95.671     118.819  147.361    115.184  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   26 o 12.569  6.3008  193.553    82.706   233.869    118.172  154.844    115.792  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   27 o 11.540  5.8548  151.379    85.561   279.245    128.201  48.684     114.892  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   28 o ?       ?       3.2394     74.332   50.783     109.992  -36.7257   100.845  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   29 o ?       ?       -13.1373   72.328   -47.8137   107.581  15.464     97.704   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   30 o ?       ?       19.672     107.665  -42.5189   118.262  320.796    260.229  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 7   31 o ?       ?       -99.8262   100.715  -63.9802   109.723  -291.6549  253.824  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   1  o ?       ?       335.806    141.244  0.0000     0.0000   335.806    141.244  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   2  o 11.546  5.8341  111.899    79.083   309.754    251.962  90.278     83.292   ?       ?       11.098  5.6445  0.000000       5.644464 
1 1 1 -32 8   3  o ?       ?       -71.1582   55.621   0.0000     0.0000   -71.1582   55.621   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   4  o 10.687  5.3190  39.713     54.417   -9.9268    74.909   95.180     79.184   ?       ?       11.324  5.7332  0.000000       5.733210 
1 1 1 -32 8   5  o 10.125  5.1140  15.891     60.379   6.3750     75.270   33.067     101.121  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   6  o 12.108  5.9810  102.371    64.057   132.897    78.947   43.548     109.590  12.020  6.0426  ?       ?       0.000000       6.042637 
1 1 1 -32 8   7  o 12.930  6.3281  135.917    66.501   62.611     87.735   234.904    101.951  ?       ?       12.496  6.3451  0.000000       6.345064 
1 1 1 -32 8   8  o 15.868  7.4108  229.689    70.509   309.312    98.630   146.465    100.835  13.914  6.9611  ?       ?       0.000000       6.961115 
1 1 1 -32 8   9  o 19.688  8.6151  350.356    78.326   187.774    108.258  528.950    113.464  ?       ?       16.331  8.0467  0.000000       8.046726 
1 1 1 -32 8   10 o 12.363  6.1121  119.392    67.387   233.943    93.157   -6.3433    97.598   13.004  6.5409  ?       ?       0.000000       6.540926 
1 1 1 -32 8   11 o 14.747  7.0896  220.544    74.228   144.637    98.620   319.744    112.741  ?       ?       12.953  6.5860  0.000000       6.585962 
1 1 1 -32 8   12 o ?       ?       117.438    91.128   48.831     101.399  405.561    207.796  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   13 o 11.550  5.8676  126.541    88.079   161.896    95.765   -67.5640   224.387  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   14 o 13.335  6.7212  290.932    101.109  265.198    112.388  400.184    231.566  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   15 o 10.922  5.4806  55.089     63.340   75.375     86.548   31.692     92.946   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   16 o 13.608  6.7126  208.178    79.716   225.724    121.126  194.772    105.877  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   17 o 11.181  5.6621  84.798     77.500   133.021    117.575  47.748     103.058  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   18 o ?       ?       -23.6875   70.169   -158.2569  106.449  79.717     93.312   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   19 o ?       ?       124.795    101.696  36.165     321.195  134.670    107.212  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   20 o ?       ?       27.094     95.376   62.156     247.088  20.956     103.388  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   21 o 11.558  5.8269  108.734    76.270   8.9599     112.942  192.379    103.411  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   22 o 11.187  5.6617  91.123     76.743   154.481    118.851  45.815     100.504  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   23 o 12.587  6.3069  185.801    82.420   201.775    131.371  175.431    105.843  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   24 o 10.860  5.5056  75.665     74.737   -101.0904  122.473  180.541    94.339   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   25 o 11.929  6.0085  154.510    80.044   138.055    123.125  166.554    105.342  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   26 o 11.070  5.6239  111.917    80.925   168.475    115.668  57.689     113.261  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   27 o ?       ?       -35.7010   71.746   -108.3585  108.344  21.043     95.748   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   28 o ?       ?       -102.8897  71.007   -55.4323   106.667  -140.6548  95.153   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   29 o ?       ?       -57.1016   112.499  -52.3504   124.723  -77.8382   260.562  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 8   30 o ?       ?       -10.4137   106.902  -32.9430   116.942  104.148    263.704  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   1  o ?       ?       -12.8599   109.921  244.093    240.809  -80.4895   123.542  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   2  o 14.892  6.9307  171.152    60.811   30.601     95.370   267.445    78.939   ?       ?       15.283  7.3377  0.000000       7.337743 
1 1 1 -32 9   3  o 12.073  5.8970  90.437     56.912   57.929     90.954   111.356    72.960   ?       ?       11.740  5.8896  0.000000       5.889630 
1 1 1 -32 9   4  o 10.106  5.0906  18.457     57.543   9.7006     84.943   25.884     78.227   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   5  o 12.833  6.3495  157.136    73.257   112.423    94.204   225.539    116.518  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   6  o 10.698  5.4110  50.273     69.453   -20.3064   90.228   152.904    108.802  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   7  o ?       ?       -16.1985   65.969   -52.4332   87.977   30.346     99.710   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   8  o ?       ?       -69.9329   58.107   -2.0703    79.408   -148.1543  85.254   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   9  o 10.167  5.1478  19.173     63.950   -47.6174   86.323   100.416    95.205   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   10 o 12.123  6.0397  121.497    70.901   -141.0352  97.122   421.049    103.744  ?       ?       15.419  7.6157  0.000000       7.615717 
1 1 1 -32 9   11 o ?       ?       81.502     87.593   109.558    96.834   -44.8035   205.460  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   12 o ?       ?       96.825     94.186   46.080     105.051  304.773    212.658  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   13 o 12.638  6.2819  154.734    74.889   110.223    105.711  199.580    106.107  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   14 o 11.834  5.9137  108.367    70.269   52.413     94.528   177.475    105.053  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   15 o 10.311  5.2201  28.145     65.617   61.047     91.448   -6.7720    94.206   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   16 o ?       ?       -90.1037   54.809   -68.8319   75.348   -114.0085  79.875   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   17 o ?       ?       20.164     70.163   27.504     92.665   10.303     107.409  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   18 o ?       ?       41.644     98.069   -58.3270   320.076  52.001     103.024  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   19 o ?       ?       134.130    114.478  270.411    330.439  115.542    122.035  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   20 o ?       ?       -15.8770   61.647   -52.3516   88.579   18.385     85.850   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   21 o 11.376  5.7101  91.968     69.011   89.998     99.750   93.776     95.575   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   22 o 11.065  5.6033  89.795     75.860   63.181     122.122  106.517    96.801   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   23 o 11.103  5.6264  98.783     77.458   126.469    121.061  79.593     100.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   24 o ?       ?       -20.8562   77.652   87.105     133.338  -76.2626   95.521   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   25 o 11.664  5.9076  165.204    84.682   65.154     118.920  268.125    120.614  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   26 o 11.600  5.8792  171.389    84.744   -24.1914   118.091  379.046    121.682  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   27 o ?       ?       -5.3667    76.282   98.253     107.540  -110.3038  108.221  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   28 o ?       ?       35.778     111.488  53.032     122.428  -48.0298   269.817  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 9   29 o ?       ?       -15.1069   110.384  -28.1674   119.269  62.890     291.463  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  1  o ?       ?       31.028     71.958   31.772     86.738   29.386     128.877  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  2  o 12.065  5.9340  102.578    60.757   103.509    90.771   101.823    81.777   ?       ?       11.148  5.6628  0.000000       5.662810 
1 1 1 -32 10  3  o 11.688  5.7753  86.940     59.904   63.861     89.939   105.343    80.311   ?       ?       11.278  5.7164  0.000000       5.716406 
1 1 1 -32 10  4  o 9.6691  4.8936  -0.2549    57.356   -1.3787    82.304   0.8061     79.973   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  5  o 10.814  5.4590  59.654     68.215   78.924     86.519   27.995     110.900  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  6  o 11.185  5.6278  79.365     69.240   46.486     89.614   128.070    109.068  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  7  o 10.939  5.5131  65.298     67.977   102.049    89.582   15.407     104.374  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  8  o 11.017  5.5443  68.419     67.359   58.687     95.612   78.009     94.911   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  9  f ?       ?       -73.7298   77.909   -6.0984    84.205   -475.9287  205.346  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  10 o ?       ?       -70.7459   82.364   -42.5372   90.766   -202.3033  196.016  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  11 o ?       ?       -123.6291  87.814   -123.6291  87.814   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  12 o ?       ?       28.622     72.163   -16.6601   95.992   87.468     109.430  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  13 o 10.690  5.4021  52.851     67.959   -3.9654    91.289   123.481    101.783  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  14 o ?       ?       -36.7417   64.677   -4.0506    85.409   -80.6900   99.029   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  15 o ?       ?       -133.3301  59.761   -152.1696  80.384   -110.0514  89.355   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  16 o 11.860  5.9548  126.839    75.378   136.935    99.840   113.456    114.951  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  17 f ?       ?       62.424     105.896  24.902     316.106  67.167     112.391  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  18 o ?       ?       27.231     100.427  267.362    303.269  -2.3457    106.433  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  19 o 11.248  5.6786  96.173     73.965   193.003    103.148  -6.3184    106.121  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  20 o ?       ?       22.385     70.958   -142.4369  98.695   198.748    102.092  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  21 o ?       ?       -9.5882    66.306   -41.8780   101.199  14.701     87.770   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  22 o ?       ?       -72.2577   68.311   -146.3291  105.246  -18.3391   89.795   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  23 o ?       ?       48.496     72.127   166.790    108.084  -46.4763   96.845   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  24 o ?       ?       58.272     76.749   30.447     106.620  88.196     110.567  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  25 o ?       ?       -98.8267   68.319   -154.0748  96.483   -43.2685   96.753   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  26 o ?       ?       12.460     76.315   93.297     107.028  -71.1471   108.846  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  27 o ?       ?       174.164    122.345  182.019    133.241  131.947    308.893  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 10  28 o ?       ?       -33.8273   111.515  -71.7909   120.322  197.370    296.930  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  1  o 11.263  5.6663  96.069     70.090   160.031    88.363   -12.4516   115.098  11.617  5.8996  ?       ?       0.000000       5.899562 
1 1 1 -32 11  2  o 9.5747  4.8318  3.3626     53.205   22.207     85.770   -8.4242    67.833   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  3  o 10.580  5.2739  43.831     54.395   8.6359     89.147   64.708     68.658   ?       ?       10.778  5.4451  0.000000       5.445148 
1 1 1 -32 11  4  o 9.9429  5.0328  15.705     60.789   24.276     90.064   8.5329     82.386   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  5  o ?       ?       -72.0584   64.381   -120.4788  80.530   13.702     107.174  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  6  o 10.561  5.3684  53.862     74.558   58.515     96.995   47.143     116.565  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  7  o 11.926  5.9888  135.043    76.316   100.410    97.915   188.645    121.813  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  8  o ?       ?       -29.1179   78.700   -60.1539   84.485   174.487    216.393  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  9  o ?       ?       -48.9913   85.404   -23.5367   92.873   -188.4331  217.372  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  10 o ?       ?       -115.0026  83.372   -141.1635  90.329   35.473     216.637  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  11 o ?       ?       20.543     70.205   -61.5689   101.159  96.842     97.512   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  12 o 10.413  5.2694  40.606     66.342   48.857     89.075   30.328     99.418   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  13 o ?       ?       2.5038     65.158   47.272     86.591   -55.9343   98.932   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  14 o 10.675  5.3997  57.907     69.181   49.039     92.678   69.067     103.966  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  15 o ?       ?       -74.4372   64.600   -114.8519  84.381   -17.2059   100.414  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  16 o ?       ?       93.103     108.140  276.995    297.388  65.082     116.087  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  17 o ?       ?       127.645    104.290  61.746     305.659  136.327    110.948  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  18 o ?       ?       7.0110     66.013   -48.8405   94.650   59.909     92.114   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  19 o 10.963  5.5264  79.617     68.531   7.3637     95.214   157.283    98.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  20 o 10.329  5.2352  46.395     67.255   40.662     91.442   53.152     99.264   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  21 o ?       ?       -96.9089   67.191   -113.1667  94.778   -80.4822   95.269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  22 o ?       ?       -64.2116   63.987   -33.7225   98.232   -86.6831   84.333   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  23 o ?       ?       -71.6600   70.058   11.738     98.635   -156.5701  99.525   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  24 o ?       ?       -90.5315   68.007   -138.9066  93.960   -37.3091   98.556   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  25 o ?       ?       0.6729     72.732   96.212     99.197   -110.3981  106.957  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  26 o ?       ?       60.393     101.333  90.367     112.388  -69.8754   234.297  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 11  27 o ?       ?       55.247     100.869  98.172     111.803  -132.5583  233.860  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  1  o ?       ?       94.201     80.849   99.567     99.058   83.495     139.926  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  2  o 11.189  5.5581  75.466     58.259   102.592    95.541   59.409     73.507   ?       ?       10.479  5.3270  0.000000       5.327049 
1 1 1 -32 12  3  o 10.476  5.2609  46.409     58.982   124.460    95.577   -1.5973    74.957   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  4  o ?       ?       -57.2721   58.194   -37.4044   91.547   -70.7441   75.386   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  5  o ?       ?       35.234     75.969   13.734     95.475   72.338     125.421  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  6  o 10.809  5.4971  81.457     78.896   36.217     95.624   177.916    139.630  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  7  o ?       ?       -37.9445   92.852   -95.1902   102.212  232.378    222.112  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  8  o ?       ?       41.025     98.253   125.696    108.419  -348.0235  232.402  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  9  o ?       ?       -153.2777  87.067   -132.4281  94.915   -263.9542  218.681  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  10 o 10.251  5.2052  36.340     68.614   -20.0417   97.999   90.554     96.097   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  11 o 10.397  5.2726  45.564     68.874   78.216     93.877   7.5019     101.356  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  12 o 10.506  5.3193  51.892     68.206   -67.3752   90.453   209.083    103.842  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  13 o ?       ?       6.7861     64.579   28.515     88.316   -18.1838   94.673   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  14 o ?       ?       50.695     103.591  52.012     217.834  50.310     117.758  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  15 o ?       ?       6.3373     103.711  -141.4043  217.230  49.955     118.032  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  16 o ?       ?       75.723     101.811  -109.5555  229.092  121.322    113.651  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  17 o 11.215  5.6433  97.637     69.692   148.822    96.469   41.764     100.791  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  18 o 10.890  5.5071  86.307     71.684   -3.4163    101.787  174.596    100.971  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  19 o 10.341  5.2415  52.566     67.454   37.982     91.909   69.592     99.310   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  20 o ?       ?       29.721     72.131   -31.2700   102.105  90.482     101.912  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  21 o ?       ?       50.592     76.701   119.014    105.502  -26.1163   111.708  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  22 o ?       ?       44.893     68.204   97.538     105.540  7.1408     89.374   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  23 o ?       ?       -12.0337   73.724   212.599    102.628  -251.5646  105.976  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  24 o ?       ?       29.793     74.122   112.135    101.611  -63.8565   108.363  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  25 o ?       ?       -80.0993   91.422   -229.6088  102.706  490.329    200.614  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 12  26 o ?       ?       -9.8935    98.210   -57.0908   108.403  206.260    231.987  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  1  o ?       ?       88.035     81.407   36.458     101.569  180.686    136.133  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  2  o 9.4131  4.7768  -0.1188    57.199   53.319     93.344   -32.2492   72.381   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  3  o 13.087  6.3792  161.896    65.634   93.075     104.605  206.583    84.291   ?       ?       12.398  6.2343  0.000000       6.234256 
1 1 1 -32 13  4  o 9.6532  4.8978  9.2116     59.959   -27.0086   103.278  27.626     73.640   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  5  o 11.808  5.9548  155.419    80.008   151.552    104.844  160.811    123.801  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  6  o ?       ?       -5.3580    94.751   81.920     103.828  -440.0602  231.716  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  7  f ?       ?       38.347     99.914   18.302     110.064  132.242    238.212  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  8  o ?       ?       56.765     101.911  81.738     112.545  -56.9740   240.181  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  9  o ?       ?       -51.3683   65.379   -18.6564   93.445   -82.7370   91.506   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  10 o ?       ?       17.466     65.969   44.262     90.517   -12.8909   96.343   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  11 o ?       ?       -30.5082   68.193   -32.9064   95.836   -28.0486   97.056   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  12 o 11.900  5.9610  140.352    73.332   186.776    99.517   85.191     108.477  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  13 o ?       ?       -60.0478   97.940   49.216     220.827  -86.8039   109.276  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  14 o ?       ?       114.194    109.371  49.852     227.979  133.430    124.653  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  15 o ?       ?       23.555     100.322  163.204    220.393  -12.9431   112.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  16 o 10.945  5.5435  99.108     74.579   127.959    98.069   59.539     114.850  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  17 o 10.186  5.1795  48.264     69.745   162.895    98.271   -68.0806   99.002   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  18 f ?       ?       25.988     68.694   -19.8419   92.571   82.155     102.480  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  19 o 11.638  5.8727  160.652    78.525   72.887     110.608  249.838    111.500  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  20 o ?       ?       -10.0827   70.843   58.665     102.003  -74.1460   98.466   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  21 o ?       ?       58.656     68.966   18.781     109.454  84.910     88.814   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  22 o ?       ?       37.459     67.265   38.025     108.102  37.102     85.925   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  23 o ?       ?       -71.3244   64.850   -6.4602    100.658  -117.3523  84.793   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  24 o ?       ?       333.852    119.573  312.008    133.797  420.515    266.504  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 13  25 o ?       ?       -30.2330   98.137   25.013     108.055  -290.4073  234.490  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  1  o ?       ?       18.216     77.178   -52.5293   100.955  117.707    119.721  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  2  o 9.1145  4.6182  -6.4080    52.083   -181.4607  96.072   66.454     61.982   ?       ?       10.581  5.3238  0.000000       5.323814 
1 1 1 -32 14  3  o 9.9745  5.0208  32.061     55.447   34.895     97.186   30.694     67.512   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  4  o ?       ?       -50.3911   88.070   -19.3969   95.433   -228.3172  228.655  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  5  o ?       ?       34.863     99.576   87.844     109.496  -218.4158  239.408  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  6  o ?       ?       -102.6870  92.047   -107.9705  100.452  -75.0203   229.868  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  7  o ?       ?       -29.9650   76.398   -111.5201  101.768  75.345     115.643  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  8  o ?       ?       29.256     68.050   32.299     95.723   26.146     96.759   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  9  o ?       ?       28.660     69.389   82.913     98.369   -25.0692   97.894   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  10 o ?       ?       -29.0575   68.283   -78.8252   96.651   20.538     96.484   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  11 o ?       ?       -51.7500   62.432   -84.1333   87.898   -18.7799   88.691   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  12 o ?       ?       -8.1327    104.424  -131.6219  317.509  6.8446     110.575  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  13 o ?       ?       -6.7041    94.770   36.096     212.283  -17.3575   105.910  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  14 o ?       ?       38.749     104.865  168.728    221.441  1.1745     119.061  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  15 o ?       ?       38.513     68.989   45.336     88.724   28.080     109.716  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  16 o ?       ?       44.212     68.836   138.825    87.791   -106.7906  110.910  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  17 o 11.582  5.8246  147.214    73.680   226.792    96.882   38.046     113.473  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  18 o 11.261  5.6739  129.496    71.714   135.524    97.912   122.519    105.332  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  19 o ?       ?       -124.1909  71.911   -102.6948  121.213  -135.8658  89.329   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  20 o ?       ?       28.914     75.919   191.600    138.798  -40.5367   90.688   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  21 o ?       ?       3.7502     66.389   20.502     109.622  -5.9525    83.428   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  22 o ?       ?       -0.3941    64.792   25.906     104.896  -16.6187   82.388   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 14  23 o ?       ?       72.352     105.225  142.130    116.473  -237.4618  245.425  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  1  o ?       ?       58.327     85.239   -54.3092   111.036  219.955    133.009  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  2  o 9.1428  4.6483  -3.1531    56.052   -10.8266   103.910  -0.0039    66.567   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  3  o ?       ?       61.124     114.326  35.797     121.215  265.142    344.031  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  4  o ?       ?       -139.7696  99.341   -123.6436  104.047  -306.0518  334.109  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  5  o ?       ?       94.434     107.552  112.444    112.892  -82.5690   353.912  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  6  f ?       ?       90.396     83.377   -2.7640    108.720  223.423    129.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  7  f ?       ?       55.003     77.239   63.840     98.461   40.864     124.543  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  8  o ?       ?       13.819     69.159   168.490    96.081   -152.4705  99.625   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  9  o ?       ?       48.708     72.016   149.229    102.538  -49.1423   101.166  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  10 o ?       ?       -41.1838   97.900   -290.3044  304.586  -12.4820   103.385  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  11 o ?       ?       139.342    113.316  181.763    308.908  132.746    121.808  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  12 o ?       ?       88.465     106.077  144.890    311.171  81.046     112.836  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  13 f ?       ?       -183.1972  86.567   -414.6375  239.834  -148.5280  92.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  14 o ?       ?       11.397     65.228   52.682     86.166   -44.0167   99.828   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  15 o ?       ?       18.052     69.293   4.5681     93.827   34.231     102.775  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  16 o ?       ?       33.111     69.136   35.861     90.728   29.303     106.765  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  17 f ?       ?       -4.6903    67.859   -61.7297   89.158   73.847     104.620  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  18 o ?       ?       -2.0512    82.892   -44.0669   135.048  23.347     104.998  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  19 o ?       ?       -88.7670   67.983   33.493     132.917  -132.0816  79.115   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  20 o ?       ?       21.480     71.159   -62.9261   135.081  53.899     83.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  21 o ?       ?       69.266     78.098   165.776    140.534  26.144     93.939   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 15  22 o ?       ?       163.921    134.221  222.057    156.618  3.1445     260.457  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  1  o ?       ?       72.172     112.916  72.172     112.916  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  2  o ?       ?       -128.1440  110.117  -128.1440  110.117  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  3  o ?       ?       -95.6445   107.840  -78.8669   113.715  -245.5531  339.911  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  4  o 10.594  5.3760  98.682     72.476   245.968    133.149  36.669     86.396   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  5  o ?       ?       110.973    85.680   198.077    116.269  7.4570     126.749  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  6  o ?       ?       50.258     84.163   172.148    113.193  -100.4396  125.861  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  7  o ?       ?       49.868     76.339   1.0426     114.572  88.850     102.375  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  8  o ?       ?       50.682     75.913   57.880     110.540  44.258     104.435  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  9  o ?       ?       -4.5067    97.012   231.967    285.043  -35.4867   103.172  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  10 o ?       ?       101.152    107.357  358.694    323.311  69.237     113.815  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  11 o ?       ?       86.196     101.791  -397.7357  323.250  139.465    107.247  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  12 o ?       ?       25.499     74.389   52.166     101.142  -5.9247    109.793  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  13 f ?       ?       53.697     72.603   106.860    101.889  -1.1431    103.483  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  14 o ?       ?       -26.2627   65.429   -118.6027  86.943   94.328     99.356   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  15 o ?       ?       23.860     67.859   3.3050     89.791   51.237     103.624  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  16 o ?       ?       35.120     72.456   74.338     95.729   -17.4795   110.865  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  17 o ?       ?       99.267     87.420   131.188    132.016  74.338     116.665  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  18 o ?       ?       72.658     78.837   159.779    137.832  30.296     96.112   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  19 o ?       ?       -80.3066   67.343   -39.1178   128.486  -95.9072   79.075   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  20 o ?       ?       81.048     76.849   28.133     147.790  100.658    89.969   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 16  21 o ?       ?       51.525     128.419  -6.7063    149.419  216.115    251.206  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  1  o ?       ?       49.460     116.276  55.040     122.659  0.0021     365.186  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  2  o ?       ?       -109.5162  109.301  -124.7146  114.681  41.184     361.116  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  3  o ?       ?       -67.3027   51.531   -221.2133  105.299  -18.8356   59.090   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  4  o 11.465  5.7657  160.348    72.228   123.633    122.509  179.910    89.422   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  5  o ?       ?       -25.9545   83.842   -18.4381   111.078  -35.9071   127.818  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  6  o ?       ?       64.786     80.654   64.975     109.922  64.566     118.709  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  7  o ?       ?       -59.1013   73.432   3.6746     105.682  -117.7018  102.107  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  8  o ?       ?       -31.2897   97.308   -131.4312  252.653  -13.8478   105.442  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  9  o ?       ?       -61.4256   93.330   60.927     279.139  -76.8246   99.029   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  10 o ?       ?       -22.7536   93.329   395.831    319.530  -61.7948   97.585   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  11 o ?       ?       49.807     81.265   69.371     119.233  32.835     111.054  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  12 o ?       ?       43.788     80.046   11.753     116.794  72.165     109.922  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  13 o ?       ?       -28.7321   70.145   4.1354     98.061   -63.1708   100.378  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  14 o ?       ?       36.861     73.211   61.552     97.996   5.6726     110.135  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  15 o ?       ?       -23.2304   68.352   75.090     92.550   -141.2116  101.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  16 o ?       ?       -38.5209   60.076   -72.0441   87.237   -8.2815    82.854   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  17 o ?       ?       -22.3627   72.256   59.827     133.852  -56.1635   85.838   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  18 o ?       ?       1.8475     74.996   27.330     143.130  -7.7962    88.050   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 17  19 o ?       ?       -87.9423   61.640   -115.1567  127.753  -79.6844   70.373   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  1  o ?       ?       38.111     90.722   -103.5785  126.668  187.345    129.997  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  2  o 9.9418  5.0390  72.037     62.330   9.4307     113.353  99.170     74.624   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  3  o ?       ?       -20.9868   63.808   24.848     125.954  -36.8110   74.007   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  4  o ?       ?       -54.6660   62.140   44.871     108.931  -102.6811  75.657   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  5  o ?       ?       95.200     82.448   113.152    114.726  76.026     118.566  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  6  o ?       ?       -6.7861    96.095   -111.3043  242.723  12.641     104.645  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  7  o ?       ?       -79.7287   93.721   71.394     244.635  -105.7245  101.463  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  8  o ?       ?       105.151    101.225  0.0022     264.621  123.174    109.557  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  9  o ?       ?       -36.9657   71.826   77.685     108.621  -126.0470  95.746   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  10 f ?       ?       116.954    81.077   205.592    123.077  49.001     107.763  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  11 o ?       ?       110.712    78.434   190.873    114.494  39.830     107.664  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  12 o ?       ?       39.629     78.957   102.111    118.744  -9.8916    105.712  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  13 o ?       ?       85.305     81.227   135.325    122.367  45.905     108.604  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  14 o ?       ?       83.325     80.180   99.146     116.214  68.953     110.766  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  15 o ?       ?       -26.5943   63.133   -18.1575   100.030  -32.1801   81.392   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  16 o ?       ?       167.763    81.932   97.732     144.973  200.628    99.312   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 18  17 o ?       ?       -57.1772   69.039   -86.6033   129.223  -45.4228   81.672   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  1  o ?       ?       63.427     87.627   48.757     116.740  82.358     132.619  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  2  o ?       ?       76.159     66.337   121.254    112.387  52.047     82.180   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  3  o ?       ?       50.457     62.898   -35.5868   115.002  87.181     75.132   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  4  o ?       ?       -6.9757    59.320   -131.7234  105.304  51.011     71.795   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  5  o ?       ?       -76.3124   86.351   281.457    253.864  -123.1215  91.826   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  6  o ?       ?       -56.7606   95.089   -171.4024  243.733  -36.1788   103.272  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  7  o ?       ?       -162.5476  78.545   -159.3678  239.031  -162.9325  83.162   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  8  o ?       ?       114.711    78.523   69.274     117.183  151.740    105.786  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  9  o ?       ?       101.005    78.767   138.631    117.315  70.120     106.287  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  10 o ?       ?       -13.6243   79.135   47.710     116.850  -65.5879   107.554  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  11 f ?       ?       26.254     78.545   42.907     111.286  9.7244     110.875  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  12 o ?       ?       260.609    93.168   324.328    133.149  199.481    130.413  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  13 o ?       ?       -50.5556   72.655   -153.0357  106.733  37.937     99.182   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  14 o ?       ?       -6.1620    75.743   27.002     112.714  -33.4697   102.278  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 19  15 o ?       ?       84.109     76.821   -34.1898   118.178  170.676    101.093  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  1  o ?       ?       39.552     86.814   36.788     115.341  43.164     131.857  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  2  o ?       ?       3.4043     60.894   8.0855     106.386  1.1233     74.262   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  3  o ?       ?       -4.8684    77.517   328.142    268.211  -35.2195   80.972   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  4  o ?       ?       -14.9579   71.563   220.237    257.953  -34.5694   74.487   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  5  f ?       ?       42.204     85.962   517.868    280.724  -7.0123    90.300   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  6  o ?       ?       84.598     79.870   116.781    116.491  56.048     109.719  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  7  o ?       ?       0.6874     76.501   155.842    110.974  -139.8111  105.603  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  8  o ?       ?       91.095     81.024   136.071    117.779  50.686     111.639  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  9  o ?       ?       3.2535     73.960   2.5340     106.844  3.9154     102.482  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  10 o ?       ?       -85.6324   72.435   -19.2987   110.113  -136.2333  96.172   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  11 o ?       ?       130.285    80.326   102.102    117.175  155.270    110.329  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 20  12 o ?       ?       52.752     77.387   -7.9931    113.908  104.823    105.462  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  2  o ?       ?       -101.1237  63.859   2.7161     247.894  -108.5042  66.089   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  3  o ?       ?       5.7814     77.333   0.0000     0.0000   5.7814     77.333   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  4  o ?       ?       3.5423     63.505   80.577     109.728  -35.2549   77.871   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  5  o ?       ?       21.869     66.701   124.717    112.756  -33.4951   82.729   ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  6  o ?       ?       150.517    80.293   220.680    120.044  93.716     108.010  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  7  o ?       ?       83.522     78.188   98.810     115.413  70.553     106.298  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  8  o ?       ?       153.759    81.047   98.319     119.257  201.340    110.481  ?       ?       ?       ?       0.000000       ?        
1 1 1 -32 21  9  o ?       ?       33.527     75.534   -35.3175   113.938  87.507     100.890  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 23 o ?       ?       39.066     132.597  0.0000     0.0000   39.066     132.597  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 24 o ?       ?       -46.3062   71.960   0.0000     0.0000   -46.3062   71.960   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 25 o ?       ?       -49.2663   73.405   0.0000     0.0000   -49.2663   73.405   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 26 o ?       ?       8.3209     80.694   0.0000     0.0000   8.3209     80.694   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 27 o ?       ?       31.523     71.868   0.0000     0.0000   31.523     71.868   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 28 o ?       ?       114.697    78.009   163.069    193.181  105.272    85.271   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 29 o ?       ?       48.764     73.539   3.5567     163.208  60.281     82.374   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 30 o ?       ?       -61.3979   80.427   -26.7955   183.881  -69.5835   89.435   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 31 o ?       ?       -31.5585   85.975   9.0640     180.601  -43.4622   97.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 32 o ?       ?       -29.6727   75.821   -147.8359  144.229  15.454     89.131   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -25 33 o ?       ?       3.6108     74.930   -59.6682   146.480  26.038     87.203   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 19 o 9.3240  4.6433  29.677     41.729   0.0000     0.0000   29.677     41.729   ?       ?       9.3240  4.6433  0.000000       4.643281 
1 1 1 -31 -24 20 o 9.1611  4.5394  21.670     37.955   0.0000     0.0000   21.670     37.955   ?       ?       9.1611  4.5394  0.000000       4.539400 
1 1 1 -31 -24 21 o 14.078  7.0500  509.362    102.293  0.0000     0.0000   509.362    102.293  ?       ?       14.078  7.0500  0.000000       7.049950 
1 1 1 -31 -24 22 o ?       ?       42.998     125.449  0.0000     0.0000   42.998     125.449  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 23 o ?       ?       69.581     79.586   0.0000     0.0000   69.581     79.586   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 24 o ?       ?       -44.0427   69.306   0.0000     0.0000   -44.0427   69.306   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 25 f ?       ?       17.407     76.476   0.0000     0.0000   17.407     76.476   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 26 o ?       ?       18.706     75.975   0.0000     0.0000   18.706     75.975   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 27 f ?       ?       -24.0662   67.167   -170.4073  147.013  14.539     75.508   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 28 f ?       ?       32.189     72.374   10.619     152.744  38.434     82.185   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 29 o ?       ?       99.105     81.012   214.001    193.351  74.640     89.220   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 30 o ?       ?       82.750     97.373   195.396    186.010  40.230     114.282  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 31 o ?       ?       46.073     95.445   -4.4648    175.645  67.248     113.696  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 32 o ?       ?       -130.1511  72.457   -22.6368   160.685  -157.5918  81.178   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 33 o ?       ?       17.677     78.205   -22.6025   148.612  33.104     91.969   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 34 o ?       ?       8.4693     77.079   139.012    145.092  -42.8578   90.979   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -24 35 o ?       ?       -0.5246    132.879  -36.5154   245.761  14.343     157.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -23 18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -23 19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -23 20 o ?       ?       60.512     87.744   0.0000     0.0000   60.512     87.744   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 21 o ?       ?       33.251     73.663   0.0000     0.0000   33.251     73.663   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 22 o ?       ?       -170.5355  113.643  0.0000     0.0000   -170.5355  113.643  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 23 o ?       ?       63.488     95.613   0.0000     0.0000   63.488     95.613   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 24 o ?       ?       59.755     79.099   0.0000     0.0000   59.755     79.099   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 25 o ?       ?       -58.2648   69.395   -52.5495   271.820  -58.6633   71.774   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 26 o ?       ?       27.320     65.479   88.900     147.865  12.299     73.029   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 27 o ?       ?       83.885     74.691   106.681    158.737  77.403     84.647   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 28 o ?       ?       46.973     77.077   175.517    151.166  1.8129     89.600   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 29 o 11.387  5.7680  160.162    80.889   148.574    158.219  164.262    94.119   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 30 o ?       ?       10.643     92.669   -34.6317   168.754  30.190     110.884  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 31 o ?       ?       -130.2140  87.789   -87.6016   167.899  -146.2474  102.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 32 f ?       ?       8.8051     82.728   -31.9474   156.732  24.544     97.401   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 33 o ?       ?       8.4468     81.940   -120.5291  146.206  67.508     98.938   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 34 o ?       ?       6.5270     74.319   -5.4788    113.195  15.623     98.529   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 35 o ?       ?       -96.0940   131.159  -68.6373   254.684  -106.0040  153.008  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 36 o ?       ?       96.204     140.904  371.676    270.832  -6.0335    164.993  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -23 37 o ?       ?       -28.4276   83.019   -146.1614  127.804  57.517     109.195  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -22 16 o ?       ?       379.775    113.307  0.0000     0.0000   379.775    113.307  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 17 o ?       ?       -2.9119    76.237   0.0000     0.0000   -2.9119    76.237   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 18 o ?       ?       41.332     84.775   0.0000     0.0000   41.332     84.775   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 19 o 11.710  5.8765  147.018    72.928   0.0000     0.0000   147.018    72.928   ?       ?       11.710  5.8765  0.000000       5.876524 
1 1 1 -31 -22 20 o 11.589  5.8342  142.854    74.943   0.0000     0.0000   142.854    74.943   ?       ?       11.589  5.8342  0.000000       5.834164 
1 1 1 -31 -22 21 o ?       ?       -161.1313  103.476  0.0000     0.0000   -161.1313  103.476  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -22 23 o ?       ?       28.756     72.360   0.0000     0.0000   28.756     72.360   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 24 o 11.355  5.7088  110.037    70.472   327.531    147.193  45.355     80.270   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 25 o ?       ?       10.067     67.075   -52.0489   141.750  27.989     76.139   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 26 o 10.848  5.5054  90.928     76.134   343.068    151.818  6.2148     87.999   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 27 o 11.106  5.6321  111.982    78.641   168.609    157.244  93.095     90.814   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 28 o 11.468  5.8038  139.984    80.693   279.910    156.373  89.200     94.205   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 29 o ?       ?       16.636     76.040   95.438     150.316  -10.4647   88.151   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 30 o ?       ?       79.177     103.472  -14.8829   177.989  127.191    127.168  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 31 o ?       ?       83.412     108.872  79.796     190.436  85.167     132.696  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 32 o ?       ?       -0.2333    84.539   -183.9366  155.686  76.582     100.674  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 33 o ?       ?       46.045     77.051   172.869    120.260  -42.2702   100.355  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 34 o ?       ?       55.470     81.249   140.789    124.617  -7.6171    107.157  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 35 o ?       ?       57.815     144.945  -273.6617  319.798  143.513    162.605  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 36 o ?       ?       -49.7493   88.100   -735.9418  282.726  24.046     92.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 37 o ?       ?       -3.5332    61.398   -131.1051  119.585  42.133     71.548   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -22 38 o 9.8694  5.0170  53.548     65.112   35.282     127.874  59.942     75.653   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -21 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -21 15 o 11.083  5.5016  80.555     56.699   0.0000     0.0000   80.555     56.699   ?       ?       11.083  5.5016  0.000000       5.501649 
1 1 1 -31 -21 16 o 9.5401  4.8407  9.1018     58.628   0.0000     0.0000   9.1018     58.628   ?       ?       9.5401  4.8407  0.000000       4.840728 
1 1 1 -31 -21 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -21 18 o 9.6046  4.8850  3.9775     62.357   0.0000     0.0000   3.9775     62.357   ?       ?       9.6046  4.8850  0.000000       4.885000 
1 1 1 -31 -21 19 o ?       ?       -28.2475   61.904   0.0000     0.0000   -28.2475   61.904   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 20 o 11.922  5.9791  138.443    74.893   0.0000     0.0000   138.443    74.893   ?       ?       11.922  5.9791  0.000000       5.979075 
1 1 1 -31 -21 21 o ?       ?       31.490     105.189  0.0000     0.0000   31.490     105.189  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 22 o ?       ?       211.413    136.818  0.0000     0.0000   211.413    136.818  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 23 o 9.6213  4.8935  -4.1641    62.580   28.391     137.652  -12.6457   70.260   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 24 o 10.442  5.3102  45.430     73.551   166.357    172.388  18.518     81.325   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 25 o ?       ?       -66.7692   67.068   -151.4703  134.601  -38.7940   77.355   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 26 o ?       ?       11.716     73.116   -50.8417   139.620  35.354     85.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 27 o ?       ?       15.726     75.542   -68.8568   146.898  46.136     88.081   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 28 o ?       ?       -17.8033   78.466   50.585     151.340  -42.9460   91.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 29 o ?       ?       147.965    102.465  186.027    160.372  121.708    133.197  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 30 o ?       ?       7.9922     102.309  -69.0229   172.435  49.832     127.097  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 31 o ?       ?       125.853    112.694  -29.6668   187.191  214.261    141.136  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 32 o 11.739  5.9590  169.511    89.460   293.429    170.537  122.464    105.079  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 33 o ?       ?       58.245     83.280   25.463     128.993  81.676     109.054  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 34 o ?       ?       -172.7858  65.621   -222.9198  98.402   -132.6361  88.060   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 35 o ?       ?       79.484     129.223  -53.9145   351.581  100.320    138.948  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 36 o ?       ?       5.9167     120.365  -12.8848   353.633  8.3802     128.008  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 37 o ?       ?       7.3611     71.374   187.891    173.617  -29.3536   78.296   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 38 o ?       ?       -14.2833   64.657   -18.1604   160.090  -13.5276   70.677   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -21 39 o ?       ?       11.800     67.442   -102.6309  153.482  39.181     75.078   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -20 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -20 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -20 14 o 8.1232  4.1252  -44.4855   43.212   0.0000     0.0000   -44.4855   43.212   ?       ?       8.1232  4.1252  0.000000       4.125183 
1 1 1 -31 -20 15 o 8.6199  4.3805  -37.0975   49.360   0.0000     0.0000   -37.0975   49.360   ?       ?       8.6199  4.3805  0.000000       4.380505 
1 1 1 -31 -20 16 o 9.7002  4.9084  5.2151     57.541   0.0000     0.0000   5.2151     57.541   ?       ?       9.7002  4.9084  0.000000       4.908432 
1 1 1 -31 -20 17 o ?       ?       20.287     82.026   0.0000     0.0000   20.287     82.026   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 18 o ?       ?       -53.0327   59.900   0.0000     0.0000   -53.0327   59.900   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 19 o 10.806  5.4521  56.098     67.499   0.0000     0.0000   56.098     67.499   ?       ?       10.806  5.4521  0.000000       5.452079 
1 1 1 -31 -20 20 o ?       ?       -64.6540   53.569   0.0000     0.0000   -64.6540   53.569   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 21 o ?       ?       44.491     107.903  0.0000     0.0000   44.491     107.903  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 22 o ?       ?       99.957     110.499  56.696     249.572  110.505    123.236  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 23 o 10.631  5.3864  43.142     70.763   -37.8096   138.996  71.464     82.214   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 24 o 10.621  5.3825  42.096     70.998   -108.9513  141.518  92.900     82.074   ?       ?       11.261  5.7153  0.000000       5.715348 
1 1 1 -31 -20 25 o 11.247  5.6809  81.014     74.541   61.796     141.235  88.434     87.759   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 26 o ?       ?       -51.5942   72.090   -68.4178   134.275  -44.7812   85.449   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 27 o ?       ?       15.597     77.508   8.6981     142.594  18.490     92.340   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 28 o ?       ?       45.134     80.602   107.355    149.039  19.413     95.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 29 o ?       ?       156.787    106.802  71.083     165.757  217.628    139.657  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 30 o ?       ?       149.303    114.114  -68.0552   188.078  275.936    143.557  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 31 o ?       ?       -43.0705   82.146   -10.4701   171.359  -52.7975   93.602   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 32 o ?       ?       -31.8611   69.596   6.4197     119.783  -51.3694   85.509   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 33 o ?       ?       21.171     72.946   134.188    146.044  -16.3964   84.201   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 34 f ?       ?       9.0745     71.644   103.245    160.973  -14.1870   80.004   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 35 o ?       ?       -36.2612   122.792  37.486     345.217  -46.9431   131.384  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 36 o ?       ?       108.660    140.381  320.861    358.667  70.272     152.552  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 37 o ?       ?       31.079     76.488   50.191     168.983  26.155     85.779   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 38 o 10.878  5.5239  101.039    77.475   305.754    178.942  53.811     85.949   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 39 o ?       ?       -57.8297   70.705   -258.1796  164.855  -12.6684   78.269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -20 40 o ?       ?       -27.0559   68.495   115.281    169.476  -54.8444   74.883   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -19 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -19 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -19 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -19 13 o 8.9612  4.5017  -13.5484   43.363   0.0000     0.0000   -13.5484   43.363   ?       ?       8.9612  4.5017  0.000000       4.501685 
1 1 1 -31 -19 14 o 10.549  5.2478  37.159     52.750   0.0000     0.0000   37.159     52.750   ?       ?       10.549  5.2478  0.000000       5.247813 
1 1 1 -31 -19 15 o 11.212  5.5631  61.870     57.728   0.0000     0.0000   61.870     57.728   ?       ?       11.212  5.5631  0.000000       5.563119 
1 1 1 -31 -19 16 o ?       ?       -36.6198   76.525   0.0000     0.0000   -36.6198   76.525   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 17 o ?       ?       4.5651     80.090   0.0000     0.0000   4.5651     80.090   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 18 o 12.017  5.9772  102.206    68.282   0.0000     0.0000   102.206    68.282   ?       ?       12.017  5.9772  0.000000       5.977208 
1 1 1 -31 -19 19 o 10.810  5.4425  43.631     65.298   0.0000     0.0000   43.631     65.298   ?       ?       10.810  5.4425  0.000000       5.442528 
1 1 1 -31 -19 20 o 13.108  6.4920  166.402    77.298   0.0000     0.0000   166.402    77.298   ?       ?       13.108  6.4920  0.000000       6.492011 
1 1 1 -31 -19 21 o ?       ?       73.928     98.077   -326.5281  242.263  152.425    107.259  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 22 o 10.172  5.1722  4.7657     69.480   188.804    233.215  -13.1602   72.785   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 23 o 12.089  6.0461  111.702    74.122   108.848    140.115  112.812    87.345   ?       ?       11.650  5.9109  0.000000       5.910877 
1 1 1 -31 -19 24 o 10.583  5.3741  29.012     73.276   -46.7681   138.203  58.646     86.423   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 25 f ?       ?       9.1633     76.943   -53.2609   141.194  35.532     91.766   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 26 o 11.221  5.6805  70.857     77.574   5.0533     143.899  97.815     92.103   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 27 o 11.137  5.6592  70.523     82.295   201.195    147.538  11.506     99.153   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 28 o 11.123  5.6508  69.590     81.652   57.293     149.486  74.818     97.479   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 29 o 12.723  6.4637  248.718    106.841  590.638    194.098  100.084    127.973  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 30 o ?       ?       88.260     89.054   30.646     183.018  106.132    101.935  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 31 o ?       ?       -33.8554   68.481   -6.2593    175.477  -38.8133   74.378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 32 o 12.088  6.0859  134.700    81.681   259.774    162.939  92.719     94.399   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 33 o 10.389  5.2814  24.322     72.307   -45.5183   159.572  42.367     81.112   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 34 o 10.484  5.3316  33.792     74.049   80.581     169.128  22.696     82.362   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 35 o ?       ?       -178.8500  115.587  -339.8044  355.011  -159.7647  122.248  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 36 o ?       ?       -66.8197   125.278  0.0086     344.972  -76.9719   134.457  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 37 o ?       ?       -38.4777   72.455   -74.5894   164.159  -29.7408   80.746   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 38 o ?       ?       39.415     76.293   -18.3311   173.020  53.352     85.003   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 39 o ?       ?       2.5224     75.557   -156.1243  196.787  29.954     81.829   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -19 40 o 9.1807  4.6398  -2.6962    50.217   -50.8285   62.348   86.194     84.729   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -18 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -18 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -18 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -18 12 o 9.0683  4.5255  -9.5481    40.528   0.0000     0.0000   -9.5481    40.528   ?       ?       9.0683  4.5255  0.000000       4.525537 
1 1 1 -31 -18 13 o 12.831  6.1571  100.727    55.404   0.0000     0.0000   100.727    55.404   ?       ?       12.831  6.1571  0.000000       6.157056 
1 1 1 -31 -18 14 o 10.757  5.3368  36.289     53.075   0.0000     0.0000   36.289     53.075   ?       ?       10.757  5.3368  0.000000       5.336846 
1 1 1 -31 -18 15 o 11.083  5.5147  48.675     58.346   0.0000     0.0000   48.675     58.346   ?       ?       11.083  5.5147  0.000000       5.514679 
1 1 1 -31 -18 16 o ?       ?       98.491     92.199   0.0000     0.0000   98.491     92.199   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 17 o 9.3921  4.7653  -29.8324   56.750   0.0000     0.0000   -29.8324   56.750   ?       ?       9.3921  4.7653  0.000000       4.765315 
1 1 1 -31 -18 18 o 10.822  5.4490  36.364     65.521   0.0000     0.0000   36.364     65.521   ?       ?       10.822  5.4490  0.000000       5.449018 
1 1 1 -31 -18 19 o 10.074  5.1132  -5.1667    65.745   0.0000     0.0000   -5.1667    65.745   ?       ?       10.074  5.1132  0.000000       5.113154 
1 1 1 -31 -18 20 o ?       ?       33.090     82.935   127.011    134.495  -24.5352   105.349  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 21 o ?       ?       -129.6026  85.521   -138.1357  221.890  -128.1139  92.681   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 22 f 11.361  5.6975  60.832     67.981   128.771    133.386  36.992     79.013   ?       ?       10.833  5.5085  0.000000       5.508505 
1 1 1 -31 -18 23 o ?       ?       -38.1205   67.555   266.904    153.204  -111.7431  75.268   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 24 o ?       ?       -30.1940   72.776   -162.3654  132.466  26.947     87.099   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 25 o ?       ?       -50.4383   72.036   -113.3327  135.301  -25.5573   85.100   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 26 o ?       ?       4.3417     76.476   94.768     142.453  -32.2725   90.646   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 27 o ?       ?       -36.6856   60.411   16.450     131.038  -51.0268   68.076   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 28 o 11.323  5.6872  60.089     69.072   112.367    147.716  45.460     78.141   ?       ?       10.961  5.5643  0.000000       5.564348 
1 1 1 -31 -18 29 o ?       ?       19.549     84.320   -22.0127   173.681  32.365     96.449   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 30 o ?       ?       -0.1561    85.065   -142.8818  187.161  37.004     95.499   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 31 o 10.013  5.0894  -9.2463    66.889   147.834    154.768  -45.3258   74.174   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 32 o 10.864  5.5071  42.395     74.558   226.360    165.795  -4.2396    83.475   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 33 o ?       ?       -6.8962    72.270   32.657     163.757  -16.4634   80.538   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 34 o ?       ?       36.123     104.030  -107.9405  164.363  132.405    134.369  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 35 o ?       ?       -170.0296  114.970  -396.4709  312.676  -134.6284  123.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 36 o ?       ?       48.886     131.559  133.434    354.551  35.387     141.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 37 o 8.4538  4.2503  -28.1766   39.097   55.241     45.337   -270.2034  77.225   11.513  5.5364  ?       ?       0.000000       5.536450 
1 1 1 -31 -18 38 o ?       ?       -46.6483   50.629   -71.9906   63.023   -0.5348    85.014   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 39 o 14.225  6.7423  167.752    62.315   147.875    80.386   197.684    98.643   11.908  6.0008  ?       ?       0.000000       6.000822 
1 1 1 -31 -18 40 o 9.3486  4.7344  -5.2128    54.261   -98.1454   69.504   139.821    86.828   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -18 41 o 10.438  5.2064  48.364     53.356   28.167     69.974   76.420     82.470   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -17 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -17 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -17 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -17 11 o 8.4823  4.3063  -50.8988   46.847   0.0000     0.0000   -50.8988   46.847   ?       ?       8.4823  4.3063  0.000000       4.306340 
1 1 1 -31 -17 12 o 12.946  6.0821  83.669     48.691   0.0000     0.0000   83.669     48.691   ?       ?       12.946  6.0821  0.000000       6.082143 
1 1 1 -31 -17 13 o 10.032  5.0006  7.2018     48.897   0.0000     0.0000   7.2018     48.897   ?       ?       10.032  5.0006  0.000000       5.000630 
1 1 1 -31 -17 14 o 12.071  5.8997  74.235     57.208   0.0000     0.0000   74.235     57.208   ?       ?       12.071  5.8997  0.000000       5.899652 
1 1 1 -31 -17 15 o ?       ?       -28.6770   68.665   0.0000     0.0000   -28.6770   68.665   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 16 o 11.411  5.7855  72.535     82.597   0.0000     0.0000   72.535     82.597   ?       ?       11.411  5.7855  0.000000       5.785540 
1 1 1 -31 -17 17 o 10.211  5.1697  -1.7268    64.431   0.0000     0.0000   -1.7268    64.431   ?       ?       10.211  5.1697  0.000000       5.169658 
1 1 1 -31 -17 18 f 10.323  5.2212  3.6403     64.665   0.0000     0.0000   3.6403     64.665   ?       ?       10.323  5.2212  0.000000       5.221246 
1 1 1 -31 -17 19 o 9.5505  4.8496  -33.2815   59.630   -34.8759   130.649  -32.8620   67.017   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 20 o ?       ?       -75.3390   89.025   -159.5240  295.511  -66.9360   93.363   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 21 o ?       ?       -28.7739   93.404   53.730     223.701  -46.1949   102.794  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 22 o 11.701  5.8571  71.835     70.244   175.886    135.161  33.332     82.220   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 23 o ?       ?       54.774     87.657   63.778     194.143  52.468     98.240   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 24 o 12.248  6.1142  101.955    74.204   155.591    139.597  80.831     87.606   ?       ?       11.526  5.8550  0.000000       5.855005 
1 1 1 -31 -17 25 o 10.132  5.1440  -10.6097   66.940   163.636    144.770  -57.9941   75.495   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 26 o 11.813  5.9772  96.890     85.216   133.061    149.020  79.314     103.877  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 27 o 10.230  5.1892  -4.6003    66.976   -166.2310  142.654  41.102     75.856   ?       ?       11.039  5.5913  0.000000       5.591341 
1 1 1 -31 -17 28 o ?       ?       -33.5523   68.860   -114.0180  166.866  -17.0374   75.597   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 29 o 12.921  6.5332  206.396    100.584  166.578    195.640  220.702    117.270  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 30 o ?       ?       -48.4351   84.776   335.799    180.624  -156.9919  96.008   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 31 o 10.328  5.2530  -1.1422    72.079   29.107     152.648  -9.8218    81.768   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 32 f 10.845  5.5046  32.318     76.255   489.957    266.808  -8.3892    79.574   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 33 o 11.295  5.5580  45.765     53.548   37.055     69.304   58.669     84.353   10.914  5.5086  ?       ?       0.000000       5.508555 
1 1 1 -31 -17 34 o ?       ?       -50.0841   118.200  -359.4644  310.719  2.2616     127.809  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 35 o ?       ?       -121.4116  112.052  307.987    335.989  -175.1463  118.856  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 36 o ?       ?       22.450     75.842   -340.8516  328.119  42.955     77.953   ?       ?       10.818  5.4984  0.000000       5.498359 
1 1 1 -31 -17 37 o ?       ?       62.685     111.686  21.697     138.089  140.213    189.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -17 38 o 9.7700  4.9060  2.2716     51.218   70.187     64.709   -111.6384  83.804   11.332  5.6646  ?       ?       0.000000       5.664643 
1 1 1 -31 -17 39 o 9.9122  4.9802  10.686     53.188   13.483     67.713   6.1817     85.942   10.087  5.1265  ?       ?       0.000000       5.126537 
1 1 1 -31 -17 40 o 10.356  5.1879  33.828     55.619   -45.8892   72.050   151.385    87.495   ?       ?       11.694  5.9315  0.000000       5.931460 
1 1 1 -31 -17 41 o 8.8748  4.5025  -24.9182   50.598   -50.9645   67.754   7.9228     76.080   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -16 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -16 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -16 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -16 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -16 10 o 8.4203  4.2420  -37.4123   40.018   0.0000     0.0000   -37.4123   40.018   ?       ?       8.4203  4.2420  0.000000       4.242022 
1 1 1 -31 -16 11 o 11.015  5.3086  33.524     42.264   0.0000     0.0000   33.524     42.264   ?       ?       11.015  5.3086  0.000000       5.308565 
1 1 1 -31 -16 12 o 7.7198  3.9240  -69.1558   39.773   0.0000     0.0000   -69.1558   39.773   ?       ?       7.7198  3.9240  0.000000       3.923958 
1 1 1 -31 -16 13 o 12.325  5.9790  74.441     55.805   0.0000     0.0000   74.441     55.805   ?       ?       12.325  5.9790  0.000000       5.978992 
1 1 1 -31 -16 14 o 10.148  5.0663  3.7074     50.990   0.0000     0.0000   3.7074     50.990   ?       ?       10.148  5.0663  0.000000       5.066262 
1 1 1 -31 -16 15 o 11.854  5.9840  89.782     82.022   0.0000     0.0000   89.782     82.022   ?       ?       11.854  5.9840  0.000000       5.983955 
1 1 1 -31 -16 16 o ?       ?       52.656     92.921   0.0000     0.0000   52.656     92.921   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 17 o 9.8670  4.9972  -21.3614   60.502   -92.5910   240.412  -16.5451   62.514   ?       ?       10.007  5.0694  0.000000       5.069424 
1 1 1 -31 -16 18 f 12.492  6.1540  92.438     66.242   273.963    138.828  38.927     75.375   ?       ?       11.108  5.6203  0.000000       5.620337 
1 1 1 -31 -16 19 o 10.421  5.2689  2.8366     65.283   225.605    133.944  -66.5688   74.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 20 o ?       ?       -56.2250   94.825   -336.0884  297.761  -24.6384   100.034  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 21 f ?       ?       101.050    105.914  84.757     278.050  103.815    114.550  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 22 o 10.906  5.5010  27.322     68.456   45.094     133.198  20.942     79.801   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 23 o 10.613  5.3314  14.956     60.828   -45.6415   133.064  30.965     68.393   ?       ?       10.976  5.5313  0.000000       5.531328 
1 1 1 -31 -16 24 o 10.613  5.3600  12.627     66.217   186.067    165.397  -20.4791   72.261   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 25 o 9.8693  5.0169  -28.7637   65.109   -57.3103   165.908  -23.5669   70.788   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 26 o 12.723  6.2994  112.687    72.571   122.840    152.221  109.701    82.557   ?       ?       12.236  6.1551  0.000000       6.155134 
1 1 1 -31 -16 27 o 12.083  6.0466  89.016     74.594   129.688    150.698  75.817     85.850   ?       ?       11.600  5.8829  0.000000       5.882885 
1 1 1 -31 -16 28 o 11.671  5.9325  86.263     91.013   12.618     153.206  126.426    113.141  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 29 o ?       ?       55.789     101.860  0.0000     0.0000   55.789     101.860  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 30 o 12.849  6.2750  100.742    64.356   142.307    79.838   23.629     108.744  13.030  6.4780  ?       ?       0.000000       6.477962 
1 1 1 -31 -16 31 o 9.8138  4.9218  -9.8957    50.732   55.532     67.439   -95.1921   77.001   11.492  5.7506  ?       ?       0.000000       5.750643 
1 1 1 -31 -16 32 o 10.718  5.2951  22.646     50.284   -6.7557    64.245   69.140     80.789   10.206  5.1670  11.534  5.8340  -1.327254      7.793180 
1 1 1 -31 -16 33 o 9.0400  4.5658  -36.7584   48.081   -22.9314   60.347   -60.7923   79.561   9.8046  4.9682  ?       ?       0.000000       4.968206 
1 1 1 -31 -16 34 o ?       ?       60.165     122.445  221.466    281.544  22.540     135.978  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 35 o ?       ?       -64.3092   120.596  -32.9857   310.727  -69.8641   130.853  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 36 f 9.0819  4.6003  -38.7910   51.410   -32.5313   65.728   -48.6554   82.511   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 37 o 10.790  5.3767  32.526     56.300   -6.7138    72.499   92.141     89.359   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 38 o 10.653  5.3090  30.525     54.996   43.327     69.822   9.6008     89.265   10.848  5.4817  ?       ?       0.000000       5.481703 
1 1 1 -31 -16 39 o 10.916  5.4326  45.048     56.746   24.919     73.646   74.462     89.025   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -16 40 o 12.023  5.8605  83.971     55.388   49.073     74.546   126.980    82.756   10.648  5.4086  11.705  5.9191  -1.056479      8.018050 
1 1 1 -31 -16 41 o 10.519  5.2082  37.682     49.603   92.737     61.314   -66.6112   84.389   11.729  5.8042  ?       ?       0.000000       5.804167 
1 1 1 -31 -16 42 o 9.3929  4.7312  1.7772     49.674   -32.4384   62.880   58.576     81.015   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -15 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -15 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -15 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -15 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -15 9  o 10.119  4.8388  15.303     33.561   0.0000     0.0000   15.303     33.561   ?       ?       10.119  4.8388  0.000000       4.838848 
1 1 1 -31 -15 10 o 11.152  5.5238  38.390     56.026   0.0000     0.0000   38.390     56.026   ?       ?       11.152  5.5238  0.000000       5.523816 
1 1 1 -31 -15 11 o 10.531  5.1277  18.962     42.072   0.0000     0.0000   18.962     42.072   ?       ?       10.531  5.1277  0.000000       5.127727 
1 1 1 -31 -15 12 o 12.754  6.1327  80.957     55.613   0.0000     0.0000   80.957     55.613   ?       ?       12.754  6.1327  0.000000       6.132679 
1 1 1 -31 -15 13 o 10.481  5.2044  12.283     50.930   0.0000     0.0000   12.283     50.930   ?       ?       10.481  5.2044  0.000000       5.204410 
1 1 1 -31 -15 14 f 10.800  5.3703  21.436     54.986   0.0000     0.0000   21.436     54.986   ?       ?       10.800  5.3703  0.000000       5.370277 
1 1 1 -31 -15 15 o ?       ?       77.198     93.142   0.0000     0.0000   77.198     93.142   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 16 o 12.729  6.2813  102.937    70.041   0.0000     0.0000   102.937    70.041   ?       ?       12.729  6.2813  0.000000       6.281346 
1 1 1 -31 -15 17 o 12.676  6.1925  88.562     62.807   212.317    129.713  50.662     71.783   ?       ?       11.447  5.7555  0.000000       5.755525 
1 1 1 -31 -15 18 o 10.494  5.3040  2.5073     65.671   37.363     149.762  -5.7905    73.070   ?       ?       10.458  5.3161  0.000000       5.316086 
1 1 1 -31 -15 19 o ?       ?       -74.7413   91.093   -237.5503  299.169  -58.1043   95.634   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 20 o ?       ?       -102.0325  89.036   -176.7018  296.858  -94.6514   93.333   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 21 o 10.372  5.2169  2.3921     59.261   115.926    136.956  -23.7619   65.734   ?       ?       10.015  5.0863  0.000000       5.086308 
1 1 1 -31 -15 22 o 9.5265  4.8399  -42.2161   59.950   -251.5605  129.992  14.337     67.564   ?       ?       10.716  5.4124  0.000000       5.412359 
1 1 1 -31 -15 23 o 13.482  6.5631  126.968    68.818   246.029    146.557  93.290     77.946   ?       ?       12.146  6.0929  0.000000       6.092858 
1 1 1 -31 -15 24 o 10.163  5.1363  -9.9265    61.528   32.940     136.120  -20.9338   68.977   ?       ?       10.134  5.1527  0.000000       5.152689 
1 1 1 -31 -15 25 o 10.701  5.3981  14.026     66.031   66.578     144.072  0.0522     74.293   ?       ?       10.545  5.3601  0.000000       5.360082 
1 1 1 -31 -15 26 o ?       ?       -93.7916   73.985   0.0000     0.0000   -93.7916   73.985   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 27 o 10.916  5.4123  25.454     54.259   77.480     71.938   -43.1967   82.636   12.005  5.9972  ?       ?       0.000000       5.997184 
1 1 1 -31 -15 28 o 11.247  5.6191  38.334     63.229   28.321     78.460   56.885     106.790  11.024  5.5945  ?       ?       0.000000       5.594545 
1 1 1 -31 -15 29 o 24.198  10.048  511.929    97.062   861.935    124.465  -31.2668   155.055  28.902  11.611  ?       ?       0.000000       11.61142 
1 1 1 -31 -15 30 o 10.915  5.4385  24.556     57.550   68.117     81.389   -19.0025   81.387   11.653  5.8908  ?       ?       0.000000       5.890758 
1 1 1 -31 -15 31 o 11.801  5.7876  54.273     56.518   44.715     74.102   67.565     87.388   11.314  5.7085  11.563  5.8715  -0.2493734     8.189123 
1 1 1 -31 -15 32 o 11.825  5.7494  52.067     52.383   43.527     66.975   65.521     84.068   11.330  5.6783  11.557  5.8570  -0.2272739     8.157612 
1 1 1 -31 -15 33 o 11.050  5.4642  30.492     53.979   15.593     68.829   54.296     86.999   10.750  5.4330  11.347  5.7710  -0.5967550     7.926028 
1 1 1 -31 -15 34 o ?       ?       45.299     121.210  -114.8516  281.059  81.890     134.346  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 35 o ?       ?       101.577    125.533  -403.4754  272.941  237.075    141.374  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 36 o 11.398  5.6366  47.479     57.466   37.314     74.722   62.196     89.906   11.019  5.5778  ?       ?       0.000000       5.577781 
1 1 1 -31 -15 37 o 11.390  5.6473  50.889     59.066   181.917    76.353   -144.3843  93.211   14.144  6.8915  ?       ?       0.000000       6.891502 
1 1 1 -31 -15 38 o 9.7669  4.9494  -17.3942   59.953   -71.4301   77.977   60.734     93.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 39 o 9.2435  4.6962  -36.2837   56.469   -25.1926   73.906   -51.8409   87.530   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 40 o 10.648  5.3288  35.276     57.980   6.0767     79.550   68.363     84.681   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -15 41 o 10.900  5.4200  50.087     55.972   52.348     75.536   47.334     83.352   10.663  5.4188  ?       ?       0.000000       5.418762 
1 1 1 -31 -15 42 f ?       ?       -48.2503   53.741   -74.8531   74.577   -19.5139   77.510   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -14 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -14 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -14 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -14 8  o 5.8672  2.9219  -28.0100   16.527   0.0000     0.0000   -28.0100   16.527   ?       ?       5.8672  2.9219  0.000000       2.921860 
1 1 1 -31 -14 9  f 11.189  5.5271  35.423     54.714   0.0000     0.0000   35.423     54.714   ?       ?       11.189  5.5271  0.000000       5.527134 
1 1 1 -31 -14 10 o 9.9126  4.8539  3.6468     39.283   0.0000     0.0000   3.6468     39.283   ?       ?       9.9126  4.8539  0.000000       4.853926 
1 1 1 -31 -14 11 o 11.875  5.7473  50.399     50.823   0.0000     0.0000   50.399     50.823   ?       ?       11.875  5.7473  0.000000       5.747262 
1 1 1 -31 -14 12 o 8.7970  4.4413  -44.9606   45.246   0.0000     0.0000   -44.9606   45.246   ?       ?       8.7970  4.4413  0.000000       4.441336 
1 1 1 -31 -14 13 o 10.017  5.0313  -11.5068   54.087   0.0000     0.0000   -11.5068   54.087   ?       ?       10.017  5.0313  0.000000       5.031343 
1 1 1 -31 -14 14 o ?       ?       86.946     95.860   0.0000     0.0000   86.946     95.860   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 15 o ?       ?       123.200    103.915  0.0000     0.0000   123.200    103.915  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 16 o ?       ?       -93.0004   53.365   80.033     112.025  -143.7911  60.693   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 17 o 9.9275  4.9947  -15.1979   54.513   11.795     123.866  -21.6819   60.708   ?       ?       9.9842  5.0510  0.000000       5.051001 
1 1 1 -31 -14 18 o 10.724  5.3838  13.679     61.516   169.900    136.658  -26.0207   68.891   ?       ?       10.117  5.1448  0.000000       5.144768 
1 1 1 -31 -14 19 o ?       ?       15.079     99.644   55.348     298.167  10.016     105.723  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 20 o 13.540  6.8655  278.409    116.543  391.644    314.545  260.391    125.474  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 21 o 10.970  5.5177  24.376     66.254   153.452    153.356  -5.2440    73.464   ?       ?       10.509  5.3411  0.000000       5.341067 
1 1 1 -31 -14 22 o 10.967  5.4905  24.872     61.802   -384.4981  146.546  113.431    68.160   ?       ?       13.203  6.4501  0.000000       6.450111 
1 1 1 -31 -14 23 o 11.021  5.5412  26.799     66.462   -216.9877  136.740  102.207    76.050   ?       ?       12.493  6.2289  0.000000       6.228889 
1 1 1 -31 -14 24 o 13.416  6.3318  89.668     53.861   54.194     73.870   129.933    78.700   11.537  5.8059  13.015  6.4642  -1.478093      8.688713 
1 1 1 -31 -14 25 o 10.335  5.1478  4.9406     51.403   -28.9826   69.198   46.709     76.783   ?       ?       11.376  5.7482  0.000000       5.748238 
1 1 1 -31 -14 26 o 14.343  6.7047  117.326    57.925   55.461     79.538   187.192    84.525   11.512  5.8201  14.033  6.9203  -2.520173      9.042377 
1 1 1 -31 -14 27 o 11.061  5.4576  28.258     52.820   60.470     74.286   -4.6801    75.120   11.675  5.8683  10.556  5.3681  1.119109       7.953198 
1 1 1 -31 -14 28 o 10.790  5.4138  16.118     61.725   -14.8714   77.442   70.099     102.210  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 29 o ?       ?       -130.9947  90.725   0.0000     0.0000   -130.9947  90.725   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 30 o 14.710  6.9233  139.078    63.586   131.511    86.224   148.099    94.145   12.770  6.4059  12.752  6.4343  0.1779842E-01  9.079430 
1 1 1 -31 -14 31 o 15.282  7.0536  142.977    61.046   114.140    81.841   179.145    91.654   12.603  6.3106  13.429  6.7173  -0.8256588     9.216576 
1 1 1 -31 -14 32 o 13.456  6.4571  103.094    60.937   187.637    84.177   10.003     88.330   14.145  6.9620  ?       ?       0.000000       6.962021 
1 1 1 -31 -14 33 o 11.041  5.4933  26.913     57.841   93.984     75.950   -65.7030   89.249   12.358  6.1714  ?       ?       0.000000       6.171429 
1 1 1 -31 -14 34 o ?       ?       -46.0802   115.302  73.632     257.701  -76.0436   128.927  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 35 o ?       ?       -116.7646  113.238  -245.0007  254.771  -85.1944   126.411  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 36 o 10.909  5.4475  25.836     59.129   51.281     78.295   -7.9379    90.205   11.352  5.7423  ?       ?       0.000000       5.742318 
1 1 1 -31 -14 37 o 12.846  6.2746  101.430    64.435   69.873     84.704   144.771    99.268   11.501  5.8341  12.246  6.2221  -0.7444315     8.529394 
1 1 1 -31 -14 38 o 14.046  6.7315  142.544    65.741   39.136     87.253   278.335    99.986   ?       ?       14.192  7.0868  0.000000       7.086750 
1 1 1 -31 -14 39 o 9.2384  4.6951  -41.5167   56.769   -77.1195   75.180   5.7142     86.591   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -14 40 o 12.628  6.1666  104.931    62.107   111.940    85.813   97.222     90.001   11.704  5.9300  ?       ?       0.000000       5.929968 
1 1 1 -31 -14 41 o 11.766  5.8180  82.346     61.149   130.933    84.623   29.251     88.461   11.825  5.9804  ?       ?       0.000000       5.980434 
1 1 1 -31 -14 42 o 10.453  5.3013  40.786     69.692   97.908     81.937   -108.6436  132.525  11.153  5.6653  ?       ?       0.000000       5.665252 
1 1 1 -31 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -13 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -13 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -13 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -13 7  o 10.628  4.6521  21.894     22.856   0.0000     0.0000   21.894     22.856   ?       ?       10.628  4.6521  0.000000       4.652066 
1 1 1 -31 -13 8  o 10.008  4.7925  10.059     33.177   0.0000     0.0000   10.059     33.177   ?       ?       10.008  4.7925  0.000000       4.792498 
1 1 1 -31 -13 9  f 8.2183  4.1510  -52.7653   39.773   0.0000     0.0000   -52.7653   39.773   ?       ?       8.2183  4.1510  0.000000       4.150972 
1 1 1 -31 -13 10 o 10.958  5.3024  24.017     43.215   0.0000     0.0000   24.017     43.215   ?       ?       10.958  5.3024  0.000000       5.302449 
1 1 1 -31 -13 11 o 9.2513  4.6283  -25.0159   43.584   0.0000     0.0000   -25.0159   43.584   ?       ?       9.2513  4.6283  0.000000       4.628329 
1 1 1 -31 -13 12 o 12.172  5.9483  60.863     58.123   0.0000     0.0000   60.863     58.123   ?       ?       12.172  5.9483  0.000000       5.948295 
1 1 1 -31 -13 13 o 15.671  7.3227  174.057    68.978   0.0000     0.0000   174.057    68.978   ?       ?       15.671  7.3227  0.000000       7.322679 
1 1 1 -31 -13 14 o ?       ?       -23.5161   95.779   0.0000     0.0000   -23.5161   95.779   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 15 o 13.439  6.4787  104.909    63.050   14.151     152.217  123.705    69.272   ?       ?       13.616  6.6183  0.000000       6.618299 
1 1 1 -31 -13 16 o 9.3038  4.7234  -51.9497   56.359   -72.6337   123.245  -46.4807   63.373   ?       ?       9.6848  4.9257  0.000000       4.925696 
1 1 1 -31 -13 17 o 11.650  5.6725  43.182     51.495   -72.6452   131.365  64.212     55.975   ?       ?       12.306  5.9742  0.000000       5.974213 
1 1 1 -31 -13 18 o 13.192  6.4966  120.767    73.602   -0.5641    143.275  164.266    85.787   ?       ?       13.514  6.7183  0.000000       6.718279 
1 1 1 -31 -13 19 o ?       ?       -29.7703   98.513   124.544    286.991  -50.3817   104.886  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 20 o 10.035  5.0792  -22.8563   61.891   -171.1753  304.988  -16.4861   63.207   ?       ?       10.188  5.1542  0.000000       5.154209 
1 1 1 -31 -13 21 o 9.9568  5.0631  -35.4189   66.721   -243.5073  302.145  -24.7517   68.410   ?       ?       10.170  5.1673  0.000000       5.167307 
1 1 1 -31 -13 22 o 9.5617  4.7912  -20.2909   47.566   -43.1113   62.876   10.245     72.733   9.7100  4.9354  10.815  5.4776  -1.105272      7.373088 
1 1 1 -31 -13 23 o 12.531  6.0502  69.781     55.510   148.795    77.045   -15.5129   80.047   13.730  6.7385  ?       ?       0.000000       6.738547 
1 1 1 -31 -13 24 o 12.381  6.0114  67.265     56.742   81.535     77.875   51.116     82.846   12.095  6.0703  11.487  5.8206  0.6085758      8.410018 
1 1 1 -31 -13 25 o 10.671  5.3084  13.096     53.921   10.592     72.311   16.233     80.927   10.824  5.4798  10.970  5.5779  -0.1458607     7.819280 
1 1 1 -31 -13 26 o 10.254  5.1267  -1.6940    53.089   61.608     76.381   -60.8557   73.841   11.736  5.9055  ?       ?       0.000000       5.905538 
1 1 1 -31 -13 27 o ?       ?       -87.0428   65.266   -104.5786  76.241   -38.9446   126.267  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 28 o ?       ?       218.081    157.795  0.0000     0.0000   218.081    157.795  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 29 o 11.327  5.7141  37.412     74.006   -28.8933   84.946   246.245    150.753  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 30 o 11.010  5.4867  22.557     58.706   24.138     79.700   20.683     86.801   11.123  5.6439  ?       ?       0.000000       5.643891 
1 1 1 -31 -13 31 o 10.439  5.2420  -1.0666    58.476   22.619     79.994   -28.2473   85.694   11.112  5.6400  ?       ?       0.000000       5.639951 
1 1 1 -31 -13 32 o 14.455  6.9832  160.468    74.205   -41.2975   107.252  345.736    102.774  ?       ?       16.294  7.9515  0.000000       7.951468 
1 1 1 -31 -13 33 o ?       ?       -291.0162  95.254   -377.1681  259.348  -277.5823  102.412  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 34 o ?       ?       81.295     123.392  626.529    287.011  -42.3316   136.666  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 35 o 12.137  6.1431  100.682    90.544   217.788    291.719  88.198     95.248   ?       ?       11.874  6.0391  0.000000       6.039119 
1 1 1 -31 -13 36 o 11.013  5.5062  26.054     61.233   96.314     82.672   -59.3353   91.139   12.185  6.1333  ?       ?       0.000000       6.133341 
1 1 1 -31 -13 37 o ?       ?       -81.6674   56.671   -20.4963   74.167   -167.4865  87.848   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 38 o 12.402  6.1059  87.223     64.869   100.527    85.874   69.542     98.998   11.977  6.0542  ?       ?       0.000000       6.054225 
1 1 1 -31 -13 39 o 13.528  6.5443  128.924    65.701   96.647     88.123   169.321    98.584   11.723  5.9467  12.461  6.3180  -0.7384310     8.676435 
1 1 1 -31 -13 40 o 11.513  5.7122  61.590     60.853   -13.4014   82.952   148.974    89.544   ?       ?       12.300  6.2147  0.000000       6.214702 
1 1 1 -31 -13 41 o 9.3004  4.7272  -32.4146   57.695   -43.1185   78.675   -19.9611   84.862   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -13 42 o ?       ?       -17.1172   69.344   -29.5376   82.045   13.944     129.746  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -12 7  o 10.867  5.0531  23.312     32.217   0.0000     0.0000   23.312     32.217   ?       ?       10.867  5.0531  0.000000       5.053086 
1 1 1 -31 -12 8  o 11.424  5.6097  35.122     53.618   0.0000     0.0000   35.122     53.618   ?       ?       11.424  5.6097  0.000000       5.609680 
1 1 1 -31 -12 9  o 10.005  4.8769  3.3901     38.357   0.0000     0.0000   3.3901     38.357   ?       ?       10.005  4.8769  0.000000       4.876869 
1 1 1 -31 -12 10 o 9.5067  4.7329  -17.3233   43.228   0.0000     0.0000   -17.3233   43.228   ?       ?       9.5067  4.7329  0.000000       4.732895 
1 1 1 -31 -12 11 o 16.587  7.4837  169.795    63.851   0.0000     0.0000   169.795    63.851   ?       ?       16.587  7.4837  0.000000       7.483718 
1 1 1 -31 -12 12 o 9.5743  4.8304  -33.5268   52.973   0.0000     0.0000   -33.5268   52.973   ?       ?       9.5743  4.8304  0.000000       4.830392 
1 1 1 -31 -12 13 o ?       ?       106.439    108.790  0.0000     0.0000   106.439    108.790  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 14 o 11.638  5.9075  56.875     87.902   -107.9229  145.709  151.166    110.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 15 o 14.439  6.7047  110.544    56.406   117.396    128.714  108.915    62.753   ?       ?       13.704  6.5697  0.000000       6.569702 
1 1 1 -31 -12 16 o 10.975  5.3903  22.332     49.578   -108.2071  126.187  46.162     53.914   ?       ?       11.791  5.7550  0.000000       5.754972 
1 1 1 -31 -12 17 o 8.2323  4.1862  -75.5011   45.620   -183.9085  132.358  -60.8865   48.597   ?       ?       8.7310  4.4278  0.000000       4.427781 
1 1 1 -31 -12 18 o 10.938  5.5292  14.043     71.683   -115.8729  294.323  22.235     73.909   ?       ?       11.095  5.6094  0.000000       5.609428 
1 1 1 -31 -12 19 o ?       ?       -26.7200   93.791   494.543    318.959  -76.0590   98.130   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 20 o 9.8188  4.9130  -14.9153   49.198   -44.8647   67.316   19.424     72.081   ?       ?       11.033  5.5746  0.000000       5.574553 
1 1 1 -31 -12 21 o 12.360  5.9576  60.939     53.258   69.646     74.614   51.894     76.043   12.001  6.0116  11.625  5.8555  0.3756533      8.391980 
1 1 1 -31 -12 22 o 12.983  6.2173  79.186     55.843   149.409    79.994   12.434     77.991   13.644  6.7294  10.954  5.5608  2.689895       8.729702 
1 1 1 -31 -12 23 f 13.714  6.4941  98.852     57.544   170.904    80.926   25.164     81.840   14.149  6.9363  11.162  5.6694  2.986255       8.958432 
1 1 1 -31 -12 24 o 9.1859  4.6528  -49.6216   52.565   -21.2449   66.798   -95.7729   85.187   10.241  5.1932  ?       ?       0.000000       5.193240 
1 1 1 -31 -12 25 o 11.721  5.7641  46.263     57.290   -1.7692    79.076   99.328     83.116   ?       ?       12.392  6.2261  0.000000       6.226115 
1 1 1 -31 -12 26 o 9.9267  5.0063  -22.4144   56.596   59.854     76.726   -120.6013  83.821   11.777  5.9255  ?       ?       0.000000       5.925498 
1 1 1 -31 -12 27 o 10.563  5.3507  -6.5297    69.620   -14.9068   79.578   20.801     143.737  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 28 o ?       ?       105.437    156.395  0.0000     0.0000   105.437    156.395  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 29 o 14.114  6.7859  131.749    68.050   46.843     93.626   226.836    99.080   ?       ?       14.086  7.0366  0.000000       7.036583 
1 1 1 -31 -12 30 o 14.594  6.8900  131.991    63.887   131.201    89.906   132.796    90.800   12.810  6.4410  12.806  6.4434  0.3948212E-02  9.110630 
1 1 1 -31 -12 31 o 13.188  6.3815  93.239     62.585   29.010     83.900   173.809    93.969   11.284  5.7320  13.447  6.7373  -2.162783      8.845740 
1 1 1 -31 -12 32 o 16.920  7.6505  188.213    67.154   174.000    89.983   206.081    100.891  13.691  6.8180  13.671  6.8678  0.1923370E-01  9.677341 
1 1 1 -31 -12 33 o ?       ?       21.325     119.352  -122.1567  281.887  52.665     131.743  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 34 o ?       ?       -31.8986   117.890  112.157    277.942  -63.5003   130.180  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 35 o 10.478  5.2795  -3.7828    62.117   22.120     84.879   -33.6528   91.148   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 36 o 10.334  5.2034  -6.3380    59.817   59.826     80.030   -90.0921   90.042   11.691  5.9032  ?       ?       0.000000       5.903152 
1 1 1 -31 -12 37 o 11.152  5.5718  30.897     62.225   4.7535     82.299   65.789     95.078   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 38 o 11.928  5.9147  66.453     64.889   94.327     86.009   29.627     98.861   11.985  6.0584  ?       ?       0.000000       6.058398 
1 1 1 -31 -12 39 o 11.651  5.7871  59.283     63.108   -5.7763    85.118   138.704    94.045   ?       ?       12.305  6.2316  0.000000       6.231636 
1 1 1 -31 -12 40 o 10.178  5.1363  1.4824     60.118   20.071     81.679   -20.4911   88.807   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 41 o ?       ?       -74.9872   58.049   -53.1994   76.241   -105.0390  89.540   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -12 42 o ?       ?       7.4732     75.910   30.627     86.070   -73.6032   161.060  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -11 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -11 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -11 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -11 6  o 8.8816  4.2783  -4.8368    27.364   0.0000     0.0000   -4.8368    27.364   ?       ?       8.8816  4.2783  0.000000       4.278277 
1 1 1 -31 -11 7  o 7.4176  3.7094  -38.7465   27.863   0.0000     0.0000   -38.7465   27.863   ?       ?       7.4176  3.7094  0.000000       3.709393 
1 1 1 -31 -11 8  o 9.0479  4.4768  -18.6970   36.425   0.0000     0.0000   -18.6970   36.425   ?       ?       9.0479  4.4768  0.000000       4.476792 
1 1 1 -31 -11 9  o 15.688  7.0592  128.165    56.378   0.0000     0.0000   128.165    56.378   ?       ?       15.688  7.0592  0.000000       7.059157 
1 1 1 -31 -11 10 o 12.279  5.9524  56.432     55.040   0.0000     0.0000   56.432     55.040   ?       ?       12.279  5.9524  0.000000       5.952361 
1 1 1 -31 -11 11 o 11.349  5.6161  30.186     57.398   0.0000     0.0000   30.186     57.398   ?       ?       11.349  5.6161  0.000000       5.616062 
1 1 1 -31 -11 12 o 11.988  5.9091  53.805     61.388   0.0000     0.0000   53.805     61.388   ?       ?       11.988  5.9091  0.000000       5.909121 
1 1 1 -31 -11 13 o 11.015  5.5639  14.028     71.511   83.731     141.404  -9.9251    82.893   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 14 o 12.755  6.1511  72.416     56.963   207.706    151.958  50.297     61.444   ?       ?       11.866  5.8606  0.000000       5.860574 
1 1 1 -31 -11 15 o 12.418  6.0150  62.864     55.934   102.538    126.089  53.143     62.411   ?       ?       11.919  5.8907  0.000000       5.890709 
1 1 1 -31 -11 16 o 13.011  6.2611  81.157     58.227   221.094    141.061  52.416     63.928   ?       ?       11.867  5.8820  0.000000       5.882014 
1 1 1 -31 -11 17 o 9.5558  4.7633  -17.7590   44.360   -49.4259   55.523   38.128     73.761   9.3802  4.7545  11.454  5.7687  -2.073416      7.475514 
1 1 1 -31 -11 18 o 9.9629  5.0654  -40.9442   66.591   -280.1050  305.880  -29.0453   68.227   ?       ?       10.201  5.1807  0.000000       5.180711 
1 1 1 -31 -11 19 o 10.561  5.2981  1.0515     59.042   -433.0474  309.014  17.499     60.150   ?       ?       10.971  5.4809  0.000000       5.480902 
1 1 1 -31 -11 20 o 8.7688  4.4433  -59.2891   48.250   37.712     66.296   -168.5391  70.357   11.469  5.7335  ?       ?       0.000000       5.733490 
1 1 1 -31 -11 21 o 11.128  5.5069  24.614     55.212   64.399     71.826   -32.8479   86.321   12.018  6.0019  ?       ?       0.000000       6.001916 
1 1 1 -31 -11 22 o 10.825  5.4042  12.735     57.996   -10.1749   74.717   47.459     91.985   10.630  5.4008  ?       ?       0.000000       5.400845 
1 1 1 -31 -11 23 o ?       ?       -78.3439   54.325   -14.5736   70.208   -173.4899  85.758   10.481  5.3159  ?       ?       0.000000       5.315927 
1 1 1 -31 -11 24 o 13.421  6.4666  99.282     62.618   91.661     85.218   108.225    92.316   12.283  6.1883  12.394  6.2662  -0.1108370     8.806839 
1 1 1 -31 -11 25 o 11.970  5.8757  52.618     58.646   107.642    77.895   -19.3854   89.107   12.836  6.3845  ?       ?       0.000000       6.384471 
1 1 1 -31 -11 26 o 10.271  5.1564  -8.7135    56.440   -22.4485   75.057   9.1586     85.618   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 27 o ?       ?       142.948    163.344  0.0000     0.0000   142.948    163.344  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 28 f ?       ?       -20.7351   75.452   -63.7542   84.312   152.292    169.089  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 29 o 11.219  5.5903  26.540     60.858   40.429     82.201   9.6931     90.532   11.484  5.8172  ?       ?       0.000000       5.817157 
1 1 1 -31 -11 30 o 10.331  5.1998  -10.8029   59.427   13.715     81.708   -38.3379   86.590   11.094  5.6374  ?       ?       0.000000       5.637416 
1 1 1 -31 -11 31 o 11.219  5.5877  25.337     60.486   37.112     80.291   9.8846     91.977   11.472  5.8042  ?       ?       0.000000       5.804226 
1 1 1 -31 -11 32 o 11.524  5.7427  36.754     64.262   -20.8785   84.926   113.955    98.291   ?       ?       12.433  6.3042  0.000000       6.304186 
1 1 1 -31 -11 33 o ?       ?       54.724     112.341  -166.0982  272.627  99.889     123.295  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 34 o ?       ?       -221.1382  107.154  -316.6479  249.352  -199.5056  118.670  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 35 o 10.115  5.1185  -25.9718   62.625   -56.8003   78.092   29.580     104.828  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 36 o 11.255  5.6379  29.255     65.616   95.490     82.430   -85.3069   108.409  12.394  6.2238  ?       ?       0.000000       6.223788 
1 1 1 -31 -11 37 o 10.812  5.4410  11.939     64.899   4.2362     82.698   24.289     104.712  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 38 o ?       ?       -63.2784   63.539   -5.9662    78.724   -170.3879  107.621  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 39 o 10.137  5.1243  -10.6073   61.545   26.861     81.711   -59.7350   93.564   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 40 o 12.521  6.1752  100.046    67.340   140.842    88.659   44.418     103.528  12.431  6.2689  ?       ?       0.000000       6.268944 
1 1 1 -31 -11 41 o ?       ?       -143.8763  58.560   -121.7593  76.819   -174.5609  90.483   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -11 42 o ?       ?       -126.1594  72.580   -155.8553  79.347   26.000     179.610  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -10 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -10 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -10 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -10 6  f 10.598  4.9999  16.745     33.532   0.0000     0.0000   16.745     33.532   ?       ?       10.598  4.9999  0.000000       4.999921 
1 1 1 -31 -10 7  o 13.776  6.6272  108.398    65.131   0.0000     0.0000   108.398    65.131   ?       ?       13.776  6.6272  0.000000       6.627211 
1 1 1 -31 -10 8  o 20.809  8.1751  207.547    60.371   0.0000     0.0000   207.547    60.371   ?       ?       20.809  8.1751  0.000000       8.175130 
1 1 1 -31 -10 9  o 13.418  6.3384  80.229     54.198   0.0000     0.0000   80.229     54.198   ?       ?       13.418  6.3384  0.000000       6.338439 
1 1 1 -31 -10 10 o 10.864  5.3952  12.433     54.749   0.0000     0.0000   12.433     54.749   ?       ?       10.864  5.3952  0.000000       5.395188 
1 1 1 -31 -10 11 o 12.044  5.9108  52.169     59.269   0.0000     0.0000   52.169     59.269   ?       ?       12.044  5.9108  0.000000       5.910810 
1 1 1 -31 -10 12 o 12.571  6.2249  81.729     70.938   68.722     144.916  85.828     81.352   ?       ?       12.373  6.2091  0.000000       6.209127 
1 1 1 -31 -10 13 o ?       ?       -67.8178   63.444   -31.4365   141.293  -77.0054   71.004   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 14 o 11.334  5.5792  29.251     54.115   -62.0218   129.700  48.489     59.546   ?       ?       11.897  5.8558  0.000000       5.855829 
1 1 1 -31 -10 15 o 11.614  5.5232  34.703     42.490   -16.1969   60.720   83.544     59.479   10.279  5.1841  13.119  6.3165  -2.840073      8.171527 
1 1 1 -31 -10 16 o 11.107  5.3924  23.911     45.625   13.718     66.736   32.856     62.518   11.007  5.5364  11.429  5.6900  -0.4214878     7.939041 
1 1 1 -31 -10 17 o 11.940  6.0348  66.822     85.059   670.127    293.458  11.487     88.875   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 18 o 14.468  7.1754  222.919    95.649   168.875    320.508  228.203    100.215  ?       ?       14.236  7.1064  0.000000       7.106352 
1 1 1 -31 -10 19 o 12.074  5.8686  50.781     54.454   84.731     76.524   15.956     77.506   12.448  6.2130  11.133  5.6404  1.314164       8.391408 
1 1 1 -31 -10 20 o 12.529  6.0899  66.888     58.659   7.6146     81.146   131.763    84.893   11.031  5.6066  13.163  6.5660  -2.132772      8.634039 
1 1 1 -31 -10 21 o 9.3026  4.7234  -58.1507   56.491   -88.8181   73.030   -12.4662   89.135   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 22 o 12.360  6.0758  66.743     63.432   2.5696     82.801   157.911    98.691   ?       ?       13.074  6.5959  0.000000       6.595870 
1 1 1 -31 -10 23 o 13.313  6.4522  97.476     64.594   119.604    87.006   70.302     96.415   12.831  6.4366  ?       ?       0.000000       6.436623 
1 1 1 -31 -10 24 f 13.051  6.3578  90.476     64.923   98.162     88.380   81.467     95.683   12.402  6.2547  12.021  6.1079  0.3808699      8.742266 
1 1 1 -31 -10 25 o 11.636  5.7957  41.668     65.167   10.663     91.225   73.978     93.125   ?       ?       11.951  6.0675  0.000000       6.067543 
1 1 1 -31 -10 26 o 11.691  5.8729  46.886     73.803   55.877     82.891   12.495     162.120  11.781  5.9549  ?       ?       0.000000       5.954864 
1 1 1 -31 -10 27 o ?       ?       -94.0035   68.163   -84.3490   75.713   -135.2991  156.587  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 28 o 11.305  5.7034  26.538     73.863   6.6903     82.083   110.999    169.330  11.031  5.6100  ?       ?       0.000000       5.610012 
1 1 1 -31 -10 29 o 11.320  5.6171  28.332     58.916   82.223     76.906   -48.2295   91.665   12.398  6.1946  ?       ?       0.000000       6.194604 
1 1 1 -31 -10 30 o 10.796  5.4149  6.1626     61.512   -7.6147    81.571   24.325     93.657   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 31 o ?       ?       -73.9498   57.201   -72.2434   73.334   -76.6009   91.407   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 32 o ?       ?       148.643    113.257  246.783    270.877  127.852    124.678  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 33 o ?       ?       117.540    113.541  -221.7190  293.626  177.186    123.118  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 34 o 10.166  5.1399  -26.0311   62.203   25.148     82.509   -93.4210   94.678   11.351  5.7576  ?       ?       0.000000       5.757599 
1 1 1 -31 -10 35 o 11.335  5.6944  27.480     69.388   12.120     90.634   49.232     107.855  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 36 o 11.958  5.9734  59.055     71.360   110.281    92.551   -16.0449   112.062  12.479  6.3061  ?       ?       0.000000       6.306145 
1 1 1 -31 -10 37 o 15.127  7.2091  173.077    73.187   117.145    94.562   256.633    115.577  12.442  6.2954  13.631  6.9038  -1.189119      9.343174 
1 1 1 -31 -10 38 o 13.278  6.5098  117.952    71.315   44.342     92.174   227.727    112.562  ?       ?       13.232  6.7135  0.000000       6.713535 
1 1 1 -31 -10 39 o ?       ?       -92.6011   59.681   -63.0242   77.702   -135.1547  93.201   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 40 o 11.107  5.5755  38.709     65.860   48.641     86.995   25.375     100.802  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 41 o 11.596  5.8733  90.306     83.638   108.235    93.797   20.720     184.784  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -10 42 o ?       ?       11.174     79.071   9.2157     88.263   19.136     177.951  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -9  5  o 12.491  5.6275  43.726     35.950   0.0000     0.0000   43.726     35.950   ?       ?       12.491  5.6275  0.000000       5.627456 
1 1 1 -31 -9  6  o 11.277  5.5515  24.037     53.598   0.0000     0.0000   24.037     53.598   ?       ?       11.277  5.5515  0.000000       5.551548 
1 1 1 -31 -9  7  o 11.970  5.9678  50.922     69.793   0.0000     0.0000   50.922     69.793   ?       ?       11.970  5.9678  0.000000       5.967846 
1 1 1 -31 -9  8  o 11.659  5.6828  35.169     52.059   0.0000     0.0000   35.169     52.059   ?       ?       11.659  5.6828  0.000000       5.682810 
1 1 1 -31 -9  9  o 14.158  6.6890  106.456    60.411   0.0000     0.0000   106.456    60.411   ?       ?       14.158  6.6890  0.000000       6.689003 
1 1 1 -31 -9  10 f 13.288  6.3328  80.466     56.479   0.0000     0.0000   80.466     56.479   ?       ?       13.288  6.3328  0.000000       6.332793 
1 1 1 -31 -9  11 o 12.189  6.0630  63.207     70.305   154.548    124.385  20.327     85.225   ?       ?       11.314  5.7500  0.000000       5.750041 
1 1 1 -31 -9  12 o 11.720  5.8964  45.395     75.980   113.541    151.801  22.617     87.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  13 o 11.676  5.7797  39.444     60.942   0.0000     0.0000   39.444     60.942   ?       ?       11.676  5.7797  0.000000       5.779729 
1 1 1 -31 -9  14 o 14.300  6.4966  87.604     49.122   134.509    69.843   41.692     69.100   14.334  6.8874  11.677  5.8398  2.656540       9.029931 
1 1 1 -31 -9  15 o 21.230  7.9508  190.026    55.278   153.555    82.443   219.814    74.508   13.911  6.8553  17.317  7.9188  -3.405849      10.47387 
1 1 1 -31 -9  16 o 18.968  8.0695  206.219    65.016   229.500    84.439   172.316    101.896  15.980  7.6506  13.273  6.6967  2.707541       10.16748 
1 1 1 -31 -9  17 o 11.660  5.8769  43.015     77.276   -103.0066  273.756  55.657     80.552   ?       ?       11.867  5.9834  0.000000       5.983382 
1 1 1 -31 -9  18 o 11.185  5.6044  19.997     65.059   -183.0840  290.131  30.749     66.759   ?       ?       11.436  5.7221  0.000000       5.722105 
1 1 1 -31 -9  19 o 14.497  6.7535  109.507    57.969   81.040     84.446   134.875    79.719   12.270  6.1788  13.604  6.7113  -1.334618      9.122469 
1 1 1 -31 -9  20 o 11.748  5.7604  40.424     55.885   -67.1748   82.074   133.435    76.307   ?       ?       13.783  6.7525  0.000000       6.752491 
1 1 1 -31 -9  21 f 12.426  6.0888  65.207     62.125   92.451     81.374   27.141     96.189   12.557  6.2884  ?       ?       0.000000       6.288361 
1 1 1 -31 -9  22 o 12.624  6.1947  74.684     65.040   -31.3570   87.002   209.021    97.925   ?       ?       14.125  7.0468  0.000000       7.046759 
1 1 1 -31 -9  23 o 12.312  6.0489  62.171     62.600   142.711    81.795   -51.7068   97.261   13.670  6.7537  ?       ?       0.000000       6.753708 
1 1 1 -31 -9  24 f 19.440  8.3132  234.148    69.655   208.603    90.658   270.959    108.825  14.659  7.2173  14.528  7.2748  0.1315088      10.24749 
1 1 1 -31 -9  25 o 20.993  8.6724  266.545    71.777   335.815    94.127   170.299    110.951  18.106  8.4902  12.929  6.5700  5.176962       10.73539 
1 1 1 -31 -9  26 o 12.986  6.4480  107.257    78.106   90.110     87.051   178.072    176.902  12.368  6.2339  ?       ?       0.000000       6.233940 
1 1 1 -31 -9  27 o 11.825  5.9342  50.635     74.337   42.305     83.326   83.115     164.540  11.621  5.8833  ?       ?       0.000000       5.883262 
1 1 1 -31 -9  28 o 12.025  5.9228  51.681     61.287   25.507     79.882   89.132     95.553   11.355  5.7501  12.206  6.1922  -0.8509665     8.450266 
1 1 1 -31 -9  29 f 11.170  5.5460  21.266     57.748   43.551     73.499   -14.6853   93.352   11.701  5.8758  ?       ?       0.000000       5.875788 
1 1 1 -31 -9  30 o 13.003  6.3290  84.435     63.944   21.380     84.580   168.554    97.690   11.322  5.7518  13.410  6.7393  -2.088262      8.860039 
1 1 1 -31 -9  31 o 15.181  7.1490  149.029    67.981   115.530    89.946   193.658    103.818  12.791  6.4331  13.582  6.8410  -0.7903423     9.390656 
1 1 1 -31 -9  32 o ?       ?       55.664     110.279  43.027     309.793  57.498     118.009  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  33 o ?       ?       172.133    118.131  105.066    304.434  184.021    128.174  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  34 o 12.440  6.1402  68.386     67.036   92.734     88.620   35.818     102.491  12.453  6.2786  ?       ?       0.000000       6.278605 
1 1 1 -31 -9  35 f 11.345  5.6650  26.097     63.916   -2.7162    86.253   61.190     95.189   ?       ?       11.862  6.0336  0.000000       6.033598 
1 1 1 -31 -9  36 o 12.059  5.9744  56.558     65.661   124.509    87.972   -28.9140   98.664   12.945  6.4908  ?       ?       0.000000       6.490764 
1 1 1 -31 -9  37 o ?       ?       -84.4275   62.201   -26.6120   80.534   -169.9099  97.926   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  38 o 12.625  6.2365  89.323     69.641   42.351     92.104   152.026    106.415  ?       ?       12.559  6.3871  0.000000       6.387139 
1 1 1 -31 -9  39 o ?       ?       -72.7814   58.523   -52.9280   72.306   -110.4906  99.650   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  40 o 11.781  5.8801  68.285     68.543   18.650     89.322   139.372    106.896  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  41 o ?       ?       -18.2856   79.763   5.8845     86.955   -146.5382  200.303  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -9  42 o ?       ?       -29.2203   72.147   -19.4526   78.382   -83.3918   184.588  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -8  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -8  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -8  4  o ?       ?       -90.2073   7.0393   0.0000     0.0000   -90.2073   7.0393   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  5  o 12.775  5.8696  51.092     41.604   0.0000     0.0000   51.092     41.604   ?       ?       12.775  5.8696  0.000000       5.869649 
1 1 1 -31 -8  6  o 12.020  5.6827  39.462     43.737   0.0000     0.0000   39.462     43.737   ?       ?       12.020  5.6827  0.000000       5.682707 
1 1 1 -31 -8  7  o 7.9803  4.0380  -65.1373   38.916   0.0000     0.0000   -65.1373   38.916   ?       ?       7.9803  4.0380  0.000000       4.037967 
1 1 1 -31 -8  8  o 14.099  6.6090  96.473     56.951   0.0000     0.0000   96.473     56.951   ?       ?       14.099  6.6090  0.000000       6.608968 
1 1 1 -31 -8  9  o 13.143  6.2362  71.682     53.590   0.0000     0.0000   71.682     53.590   ?       ?       13.143  6.2362  0.000000       6.236172 
1 1 1 -31 -8  10 o 17.956  7.6235  161.688    57.820   238.782    122.139  139.420    65.641   13.506  6.8663  15.123  7.0909  -1.616399      9.870495 
1 1 1 -31 -8  11 o 12.475  6.3210  105.022    97.542   0.0000     0.0000   105.022    97.542   ?       ?       12.475  6.3210  0.000000       6.321003 
1 1 1 -31 -8  12 o 14.772  6.6196  93.217     49.010   92.637     71.234   93.739     67.535   12.983  6.3932  13.189  6.4380  -0.2052622     9.073077 
1 1 1 -31 -8  13 o 15.296  6.7794  102.911    49.965   112.747    72.902   94.198     68.614   13.474  6.6011  13.145  6.4320  0.3297377      9.216563 
1 1 1 -31 -8  14 o 17.838  7.7938  183.075    63.884   162.807    85.409   208.817    96.252   14.037  6.9286  14.337  7.1254  -0.3003016     9.938647 
1 1 1 -31 -8  15 o 25.746  8.4716  258.619    61.287   217.708    86.058   300.722    87.302   15.511  7.5001  18.406  8.4736  -2.894566      11.31613 
1 1 1 -31 -8  16 o 11.746  5.8980  43.297     73.984   -375.2016  256.365  81.318     77.272   ?       ?       12.504  6.2415  0.000000       6.241527 
1 1 1 -31 -8  17 o 10.997  5.5479  5.9826     69.805   -285.1381  255.500  29.466     72.566   ?       ?       11.473  5.7711  0.000000       5.771116 
1 1 1 -31 -8  18 o 10.807  5.3439  10.293     51.590   -15.4978   77.292   31.017     69.283   10.755  5.4671  11.505  5.7675  -0.7500105     7.946862 
1 1 1 -31 -8  19 o 10.348  5.1455  -3.8983    50.443   29.853     74.644   -32.2679   68.434   11.487  5.7877  10.294  5.2241  1.192742       7.796719 
1 1 1 -31 -8  20 o 17.606  7.6557  168.514    61.004   76.539     90.160   246.180    82.849   12.179  6.1608  17.031  7.9796  -4.851973      10.08110 
1 1 1 -31 -8  21 o ?       ?       -145.1272  49.724   -92.7555   62.942   -232.0811  81.103   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  22 o 10.493  5.2598  -6.3916    57.568   -37.6917   74.944   38.658     89.910   ?       ?       11.617  5.9045  0.000000       5.904477 
1 1 1 -31 -8  23 o 9.5299  4.8233  -47.6260   55.769   -53.2411   70.220   -38.0341   91.778   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  24 o 55.410  7.4810  845.405    98.009   677.745    137.098  1020.65    140.164  19.347  9.3823  31.623  12.446  -12.27641      15.58634 
1 1 1 -31 -8  25 o 12.844  6.4167  104.849    82.426   78.592     91.826   213.755    187.012  12.166  6.1611  ?       ?       0.000000       6.161053 
1 1 1 -31 -8  26 o 13.287  6.5874  120.859    80.317   159.105    88.990   -47.1407   186.512  13.712  6.8208  ?       ?       0.000000       6.820821 
1 1 1 -31 -8  27 o 13.808  6.8329  152.806    84.981   138.455    94.321   214.689    195.862  13.074  6.5767  ?       ?       0.000000       6.576670 
1 1 1 -31 -8  28 o 15.192  7.1398  146.328    67.207   120.825    90.924   177.044    99.783   12.878  6.4755  13.517  6.7952  -0.6391954     9.386485 
1 1 1 -31 -8  29 o 17.548  7.8739  200.806    69.590   147.829    92.678   269.289    105.371  13.322  6.6772  14.889  7.4088  -1.567027      9.973720 
1 1 1 -31 -8  30 o 11.979  5.9219  48.803     63.217   101.455    83.254   -22.8934   97.152   12.769  6.3893  ?       ?       0.000000       6.389302 
1 1 1 -31 -8  31 o ?       ?       -48.4932   102.297  143.451    299.051  -73.9293   108.864  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  32 o ?       ?       -134.1687  91.277   -94.5976   299.417  -138.2229  95.839   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  33 f 17.512  8.7477  704.515    153.012  738.344    349.804  696.510    170.154  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  34 o 15.508  7.3717  177.215    75.537   325.866    105.893  23.209     107.783  16.187  7.9355  ?       ?       0.000000       7.935506 
1 1 1 -31 -8  35 o 12.217  6.0585  59.990     68.127   24.356     90.196   107.322    103.954  ?       ?       12.412  6.3125  0.000000       6.312542 
1 1 1 -31 -8  36 o 11.624  5.8208  38.339     69.690   93.769     95.338   -25.2628   102.124  12.308  6.2375  ?       ?       0.000000       6.237547 
1 1 1 -31 -8  37 o ?       ?       -65.8588   64.003   -176.7271  84.431   83.910     98.132   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  38 f 12.214  6.0300  66.758     64.794   107.316    92.879   28.307     90.434   12.333  6.2402  ?       ?       0.000000       6.240179 
1 1 1 -31 -8  39 o ?       ?       -125.6619  53.427   -90.0758   78.571   -156.2670  72.865   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -8  40 o 11.905  6.0287  96.592     87.913   147.919    96.425   -156.2305  214.006  12.440  6.3013  ?       ?       0.000000       6.301322 
1 1 1 -31 -8  41 f 11.390  5.7874  75.183     85.986   132.759    94.024   -219.0145  212.536  12.028  6.1061  ?       ?       0.000000       6.106102 
1 1 1 -31 -8  42 o 10.004  5.0671  0.0329     62.357   48.484     81.932   -66.6697   96.133   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -7  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -7  3  o 9.5856  4.6482  -3.6032    33.635   0.0000     0.0000   -3.6032    33.635   ?       ?       9.5856  4.6482  0.000000       4.648219 
1 1 1 -31 -7  4  o 12.747  5.8421  49.280     40.865   0.0000     0.0000   49.280     40.865   ?       ?       12.747  5.8421  0.000000       5.842094 
1 1 1 -31 -7  5  o 14.521  6.9609  132.372    70.398   0.0000     0.0000   132.372    70.398   ?       ?       14.521  6.9609  0.000000       6.960916 
1 1 1 -31 -7  6  o 10.937  5.2827  16.741     42.418   0.0000     0.0000   16.741     42.418   ?       ?       10.937  5.2827  0.000000       5.282726 
1 1 1 -31 -7  7  o 9.7002  4.8176  -16.8868   43.701   0.0000     0.0000   -16.8868   43.701   ?       ?       9.7002  4.8176  0.000000       4.817581 
1 1 1 -31 -7  8  o 12.455  5.9671  53.176     51.574   0.0000     0.0000   53.176     51.574   ?       ?       12.455  5.9671  0.000000       5.967135 
1 1 1 -31 -7  9  o 26.951  8.5383  274.280    62.621   297.233    124.344  266.480    72.484   14.217  7.1964  21.161  8.7259  -6.944325      11.31059 
1 1 1 -31 -7  10 o 17.225  7.4739  150.831    57.897   196.845    69.596   47.424     104.331  17.455  7.8499  ?       ?       0.000000       7.849943 
1 1 1 -31 -7  11 o 11.351  5.6086  24.874     56.449   18.733     67.296   39.451     103.684  11.269  5.6538  ?       ?       0.000000       5.653837 
1 1 1 -31 -7  12 o 12.660  6.0191  57.198     50.404   84.544     71.064   29.513     71.503   12.828  6.3299  11.516  5.7844  1.312770       8.574768 
1 1 1 -31 -7  13 o 25.388  8.9630  295.032    68.806   176.886    90.849   453.961    105.369  14.094  6.9907  20.377  9.3545  -6.283055      11.67802 
1 1 1 -31 -7  14 o 11.941  5.8549  43.590     57.727   86.672     72.278   -32.3023   95.930   12.848  6.3478  ?       ?       0.000000       6.347842 
1 1 1 -31 -7  15 o 8.6739  4.3998  -69.1267   48.171   19.816     68.137   -158.0055  68.112   11.307  5.6752  ?       ?       0.000000       5.675242 
1 1 1 -31 -7  16 o ?       ?       -46.3083   71.263   201.328    258.706  -66.6411   74.131   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  17 o 10.207  5.1752  -35.5235   66.092   0.0000     0.0000   -35.5235   66.092   ?       ?       10.207  5.1752  0.000000       5.175186 
1 1 1 -31 -7  18 o 10.413  5.1654  -2.1887    49.678   6.5953     72.103   -10.1264   68.542   11.090  5.6001  10.725  5.4206  0.3649454      7.793859 
1 1 1 -31 -7  19 o 10.576  5.2498  1.1872     51.652   -56.1737   75.004   52.931     71.237   ?       ?       12.046  6.0097  0.000000       6.009677 
1 1 1 -31 -7  20 o 10.956  5.4579  9.8484     57.868   65.735     73.995   -78.1600   92.856   12.297  6.1335  ?       ?       0.000000       6.133496 
1 1 1 -31 -7  21 f ?       ?       -268.0013  46.637   -362.0894  54.946   -25.5512   88.202   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  22 o ?       ?       -427.3490  40.887   -464.3380  49.490   -347.8238  72.566   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  23 o 11.290  5.6339  21.053     62.775   71.869     80.328   -58.6699   100.615  12.299  6.1716  ?       ?       0.000000       6.171617 
1 1 1 -31 -7  24 o 11.398  5.6918  25.325     64.561   -36.1093   84.211   112.918    100.554  ?       ?       12.580  6.3785  0.000000       6.378520 
1 1 1 -31 -7  25 o 14.009  6.9021  153.833    83.440   119.451    93.354   290.410    186.061  12.845  6.4720  ?       ?       0.000000       6.471995 
1 1 1 -31 -7  26 o 11.891  5.9782  49.901     77.313   -4.5108    86.926   255.886    169.131  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  27 o 11.463  5.7099  28.453     63.281   136.697    81.697   -133.8994  100.054  13.677  6.7559  ?       ?       0.000000       6.755892 
1 1 1 -31 -7  28 o 15.413  7.1979  147.120    66.491   124.678    82.513   188.679    112.286  13.348  6.6275  13.275  6.7319  0.7289314E-01  9.446824 
1 1 1 -31 -7  29 f 26.472  9.3808  346.511    75.437   372.368    98.532   309.888    117.265  18.884  8.7997  14.800  7.4308  4.083757       11.51748 
1 1 1 -31 -7  30 o 12.547  6.1158  63.323     60.322   33.972     75.976   113.378    99.217   11.607  5.8472  12.625  6.3945  -1.017609      8.664866 
1 1 1 -31 -7  31 f ?       ?       28.890     105.764  -278.0838  301.408  71.996     112.946  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  32 o ?       ?       -89.0821   102.460  197.488    283.792  -132.0347  109.870  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  33 o 12.352  6.0717  57.894     63.326   36.662     79.916   93.722     103.814  11.708  5.9099  ?       ?       0.000000       5.909949 
1 1 1 -31 -7  34 o ?       ?       -136.0720  45.370   -105.9709  52.054   -231.2277  92.551   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  35 f 13.372  6.4105  84.325     59.724   95.974     73.928   62.439     101.335  13.045  6.4405  ?       ?       0.000000       6.440459 
1 1 1 -31 -7  36 o 10.246  5.1401  -14.2206   55.531   -8.1917    67.729   -26.5866   96.999   10.695  5.4039  ?       ?       0.000000       5.403880 
1 1 1 -31 -7  37 o 12.407  6.0157  59.887     56.291   74.131     72.589   38.398     89.157   12.359  6.1497  11.533  5.8635  0.8258734      8.496999 
1 1 1 -31 -7  38 o 11.995  5.8911  53.752     59.224   49.526     78.066   59.482     90.901   11.641  5.8719  11.700  5.9456  -0.5917931E-01 8.356386 
1 1 1 -31 -7  39 o ?       ?       -95.0402   49.979   -81.6970   60.958   -122.4056  87.298   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -7  40 o 11.555  5.8029  59.118     71.789   19.489     76.877   329.129    200.668  10.830  5.5001  ?       ?       0.000000       5.500108 
1 1 1 -31 -7  41 o 10.227  5.1743  1.0231     63.778   14.491     67.488   -111.4473  195.031  10.512  5.3187  ?       ?       0.000000       5.318668 
1 1 1 -31 -6  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -6  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -6  3  o 15.099  6.4483  80.265     41.806   0.0000     0.0000   80.265     41.806   ?       ?       15.099  6.4483  0.000000       6.448267 
1 1 1 -31 -6  4  o 12.221  6.0289  51.544     64.325   0.0000     0.0000   51.544     64.325   ?       ?       12.221  6.0289  0.000000       6.028891 
1 1 1 -31 -6  5  o 11.234  5.3858  22.433     42.181   0.0000     0.0000   22.433     42.181   ?       ?       11.234  5.3858  0.000000       5.385789 
1 1 1 -31 -6  6  o 14.615  6.6648  94.283     52.315   0.0000     0.0000   94.283     52.315   ?       ?       14.615  6.6648  0.000000       6.664801 
1 1 1 -31 -6  7  o 13.128  6.2509  70.323     54.764   0.0000     0.0000   70.323     54.764   ?       ?       13.128  6.2509  0.000000       6.250885 
1 1 1 -31 -6  8  o 12.372  5.9518  51.070     52.529   165.095    156.253  36.542     55.775   ?       ?       11.774  5.7691  0.000000       5.769137 
1 1 1 -31 -6  9  o 12.227  5.9099  48.183     53.312   52.341     61.926   36.276     104.785  12.200  5.9983  ?       ?       0.000000       5.998294 
1 1 1 -31 -6  10 o 12.885  6.2694  74.143     62.581   107.202    69.262   -72.8429   146.047  13.659  6.6344  ?       ?       0.000000       6.634394 
1 1 1 -31 -6  11 o 10.411  5.1504  -1.1422    48.148   -49.1533   70.531   40.759     65.890   ?       ?       11.826  5.8805  0.000000       5.880492 
1 1 1 -31 -6  12 f 15.858  7.1286  127.412    57.321   97.985     80.571   157.570    81.565   12.895  6.4266  14.341  7.0164  -1.445699      9.514809 
1 1 1 -31 -6  13 o 11.757  5.7840  36.497     57.851   -2.7548    73.783   99.132     93.206   10.978  5.5552  12.596  6.3613  -1.618578      8.445495 
1 1 1 -31 -6  14 o ?       ?       -73.7501   57.034   -95.2558   66.403   -13.2667   111.361  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  15 o 11.407  5.7621  19.665     76.758   136.454    214.617  2.5352     82.194   ?       ?       11.176  5.6771  0.000000       5.677055 
1 1 1 -31 -6  16 o 11.964  6.0353  51.423     82.564   0.0000     0.0000   51.423     82.564   ?       ?       11.964  6.0353  0.000000       6.035255 
1 1 1 -31 -6  17 o 9.0932  4.5901  -50.6810   48.206   33.320     69.476   -128.6647  66.941   11.662  5.8357  ?       ?       0.000000       5.835691 
1 1 1 -31 -6  18 o 12.006  5.8370  42.215     53.957   83.511     77.724   3.7993     74.966   12.683  6.3194  11.121  5.6247  1.562000       8.460004 
1 1 1 -31 -6  19 o 11.443  5.6645  25.575     58.550   -25.0400   76.043   99.271     91.758   10.676  5.4264  12.651  6.3793  -1.974874      8.375032 
1 1 1 -31 -6  20 o 10.548  5.2941  -9.5796    59.251   -46.5530   77.149   43.589     92.515   ?       ?       11.798  5.9955  0.000000       5.995507 
1 1 1 -31 -6  21 o 11.537  5.7136  28.937     59.826   -37.5608   80.751   109.848    89.074   ?       ?       12.895  6.4744  0.000000       6.474419 
1 1 1 -31 -6  22 o 10.862  5.4256  4.2783     58.822   48.919     76.065   -62.1279   92.773   11.952  5.9986  ?       ?       0.000000       5.998605 
1 1 1 -31 -6  23 o 11.479  5.7085  26.977     62.175   33.759     83.748   18.649     92.806   11.648  5.8969  ?       ?       0.000000       5.896925 
1 1 1 -31 -6  24 o 13.907  6.7974  129.191    76.005   137.455    86.215   100.363    161.017  13.537  6.7305  ?       ?       0.000000       6.730476 
1 1 1 -31 -6  25 o 11.343  5.7328  17.663     76.678   -14.3055   90.206   100.920    145.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  26 o 11.905  5.9846  48.379     77.354   109.030    87.653   -165.1758  164.475  12.880  6.4610  ?       ?       0.000000       6.461048 
1 1 1 -31 -6  27 o 12.525  6.1799  68.654     67.717   4.9497     88.508   158.589    105.162  ?       ?       13.151  6.6527  0.000000       6.652721 
1 1 1 -31 -6  28 o 10.067  5.0810  -30.2007   58.961   -74.6179   71.215   66.598     105.131  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  29 o 12.061  5.9409  48.061     61.684   16.789     75.596   110.358    106.699  11.324  5.7198  ?       ?       0.000000       5.719823 
1 1 1 -31 -6  30 o ?       ?       25.499     113.227  -872.1163  309.013  164.704    121.691  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  31 o 14.037  7.1201  282.655    126.162  432.709    323.081  255.657    137.042  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  32 o ?       ?       2.8755     101.538  8.5831     310.114  2.1902     107.461  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -6  33 o 11.038  5.5118  8.7074     60.496   -60.9488   75.827   130.678    100.340  ?       ?       12.980  6.5598  0.000000       6.559768 
1 1 1 -31 -6  34 o 9.8963  4.9869  -32.9998   55.521   1.6775     70.043   -91.6251   91.072   11.023  5.5605  ?       ?       0.000000       5.560545 
1 1 1 -31 -6  35 o 11.991  5.9117  45.272     61.534   25.792     76.863   80.041     102.688  11.502  5.8046  ?       ?       0.000000       5.804638 
1 1 1 -31 -6  36 o 14.204  6.7630  113.856    64.099   109.031    79.306   122.949    108.858  13.110  6.5073  ?       ?       0.000000       6.507280 
1 1 1 -31 -6  37 o 13.297  6.3617  83.973     58.164   65.419     75.599   110.887    91.052   12.124  6.0698  12.638  6.3709  -0.5146141     8.799445 
1 1 1 -31 -6  38 o 12.923  6.2565  81.695     60.334   63.548     78.906   107.239    93.618   11.901  5.9906  12.364  6.2567  -0.4623318     8.662225 
1 1 1 -31 -6  39 o 10.661  5.3173  11.972     55.623   -20.4259   71.756   60.749     88.046   10.311  5.2440  11.587  5.8848  -1.276299      7.882294 
1 1 1 -31 -6  40 o 12.593  6.2604  109.893    74.524   113.856    78.903   77.133     226.867  12.491  6.2456  ?       ?       0.000000       6.245631 
1 1 1 -31 -6  41 o 10.765  5.4440  29.201     69.997   9.4687     74.437   179.952    205.743  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -31 -5  2  o 12.226  5.4182  35.965     31.910   0.0000     0.0000   35.965     31.910   ?       ?       12.226  5.4182  0.000000       5.418242 
1 1 1 -31 -5  3  o 11.386  5.6367  20.737     58.021   0.0000     0.0000   20.737     58.021   ?       ?       11.386  5.6367  0.000000       5.636681 
1 1 1 -31 -5  4  o 8.4584  4.1953  -29.0997   32.709   0.0000     0.0000   -29.0997   32.709   ?       ?       8.4584  4.1953  0.000000       4.195251 
1 1 1 -31 -5  5  o 10.511  5.1610  3.0299     45.363   0.0000     0.0000   3.0299     45.363   ?       ?       10.511  5.1610  0.000000       5.160993 
1 1 1 -31 -5  6  o 12.905  6.1538  62.867     53.499   0.0000     0.0000   62.867     53.499   ?       ?       12.905  6.1538  0.000000       6.153754 
1 1 1 -31 -5  7  o 11.762  5.7238  34.646     52.205   79.817     149.030  28.328     55.737   ?       ?       11.540  5.6772  0.000000       5.677240 
1 1 1 -31 -5  8  o 11.237  5.3872  22.929     42.191   22.291     60.772   23.522     58.621   11.382  5.6577  11.401  5.6481  -0.1938534E-01 7.994401 
1 1 1 -31 -5  9  o 11.453  5.6955  24.834     61.895   44.453     68.797   -58.4848   141.775  11.937  5.9473  ?       ?       0.000000       5.947346 
1 1 1 -31 -5  10 f 11.755  5.6693  34.215     48.408   -42.3263   70.481   102.567    66.603   10.279  5.2247  13.724  6.6264  -3.444869      8.438412 
1 1 1 -31 -5  11 o 12.717  6.0718  58.202     52.426   57.267     74.164   59.135     74.120   12.182  6.0858  12.223  6.1033  -0.4183388E-01 8.618964 
1 1 1 -31 -5  12 o 14.721  6.7618  101.719    55.168   127.823    73.614   68.272     83.326   14.116  6.8522  12.289  6.1819  1.826686       9.228661 
1 1 1 -31 -5  13 o 11.381  5.5976  23.600     54.069   12.262     66.286   46.143     93.468   11.205  5.6202  11.865  6.0294  -0.6602545     8.242585 
1 1 1 -31 -5  14 o ?       ?       -26.3069   100.531  191.414    198.849  -101.0622  116.519  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  15 o ?       ?       39.130     94.920   175.652    206.543  2.5757     106.875  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  16 o 10.349  5.1480  -7.7158    50.688   -27.3846   73.696   9.9425     69.828   10.622  5.3933  11.210  5.6418  -0.5884876     7.804968 
1 1 1 -31 -5  17 o 9.1833  4.6405  -53.1076   50.078   9.4307     73.199   -108.1310  68.660   11.240  5.6717  ?       ?       0.000000       5.671666 
1 1 1 -31 -5  18 o 12.953  6.2405  68.794     58.286   89.423     80.074   45.547     85.003   12.808  6.3871  11.903  6.0175  0.9053879      8.775261 
1 1 1 -31 -5  19 o 11.901  5.8573  39.540     59.561   53.241     79.944   22.447     89.292   12.067  6.0681  11.554  5.8734  0.5127840      8.445013 
1 1 1 -31 -5  20 o 14.443  6.8250  112.299    62.946   134.140    86.347   87.528     91.955   13.558  6.7399  12.503  6.3146  1.055121       9.235818 
1 1 1 -31 -5  21 o 12.772  6.2377  69.847     63.610   117.341    86.714   14.515     93.597   13.175  6.5816  ?       ?       0.000000       6.581646 
1 1 1 -31 -5  22 o 10.143  5.1082  -26.4130   57.777   10.967     75.513   -79.1957   89.732   11.273  5.6968  ?       ?       0.000000       5.696828 
1 1 1 -31 -5  23 o 12.926  6.2904  74.405     63.067   87.289     84.463   58.171     94.812   12.620  6.3320  12.010  6.0999  0.6103010      8.792265 
1 1 1 -31 -5  24 o 11.065  5.6151  -3.2740    79.003   -20.4333   90.676   50.798     160.965  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  25 o 23.771  10.217  524.254    106.173  488.558    125.606  613.592    198.708  17.479  8.5837  ?       ?       0.000000       8.583688 
1 1 1 -31 -5  26 o 13.625  6.6261  106.091    69.670   202.605    93.080   -16.8640   105.059  14.645  7.2298  ?       ?       0.000000       7.229846 
1 1 1 -31 -5  27 o 12.086  5.9415  47.570     60.662   91.016     74.698   -36.5828   103.961  12.948  6.4074  ?       ?       0.000000       6.407432 
1 1 1 -31 -5  28 o 11.830  5.8162  38.488     58.202   38.292     69.835   38.935     105.316  11.769  5.8835  ?       ?       0.000000       5.883542 
1 1 1 -31 -5  29 o 10.961  5.4681  7.5391     58.957   -48.3135   70.771   134.219    106.583  ?       ?       12.838  6.5156  0.000000       6.515574 
1 1 1 -31 -5  30 o ?       ?       113.771    122.535  -99.6077   315.472  151.684    132.976  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  31 o ?       ?       -67.1517   115.742  -216.8257  333.184  -46.6111   123.429  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  32 o 11.623  5.7440  29.812     59.322   44.363     71.386   -2.6613    106.642  11.964  5.9759  ?       ?       0.000000       5.975925 
1 1 1 -31 -5  33 o ?       ?       -122.5862  52.974   -158.1048  62.881   -35.7400   98.326   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  34 o 11.872  5.8527  38.870     60.285   -14.5463   73.364   149.938    105.788  10.819  5.4817  13.127  6.6436  -2.307772      8.613162 
1 1 1 -31 -5  35 o 11.073  5.5114  12.267     58.476   23.987     71.152   -12.1213   102.643  11.465  5.7603  ?       ?       0.000000       5.760313 
1 1 1 -31 -5  36 o 13.181  6.3319  79.033     58.938   32.585     77.317   143.463    91.062   11.575  5.8392  13.375  6.6910  -1.799685      8.880630 
1 1 1 -31 -5  37 o 10.628  5.3003  2.9093     55.188   46.762     72.056   -59.3213   85.837   11.775  5.8996  ?       ?       0.000000       5.899570 
1 1 1 -31 -5  38 o 12.246  5.9858  60.975     58.966   10.305     77.192   131.972    91.372   10.987  5.5727  12.825  6.4542  -1.837966      8.527117 
1 1 1 -31 -5  39 o 11.899  5.9587  67.903     73.053   81.156     77.018   -50.9442   230.643  12.089  6.0628  ?       ?       0.000000       6.062840 
1 1 1 -31 -5  40 o ?       ?       -71.3843   61.272   -60.7569   64.227   -178.9798  204.361  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -5  41 o 9.7518  4.9259  -13.0534   56.062   -80.0779   71.481   94.066     90.366   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  1  f 10.785  4.0793  19.920     14.630   0.0000     0.0000   19.920     14.630   ?       ?       10.785  4.0793  0.000000       4.079339 
1 1 1 -31 -4  2  o 8.5821  4.3401  -63.7556   44.537   0.0000     0.0000   -63.7556   44.537   ?       ?       8.5821  4.3401  0.000000       4.340123 
1 1 1 -31 -4  3  o 12.890  5.9711  52.354     44.333   0.0000     0.0000   52.354     44.333   ?       ?       12.890  5.9711  0.000000       5.971086 
1 1 1 -31 -4  4  o 8.2219  4.1505  -59.3020   39.439   0.0000     0.0000   -59.3020   39.439   ?       ?       8.2219  4.1505  0.000000       4.150480 
1 1 1 -31 -4  5  o 11.075  5.4174  15.812     48.538   0.0000     0.0000   15.812     48.538   ?       ?       11.075  5.4174  0.000000       5.417390 
1 1 1 -31 -4  6  o 13.104  6.3759  80.007     64.731   0.0000     0.0000   80.007     64.731   ?       ?       13.104  6.3759  0.000000       6.375895 
1 1 1 -31 -4  7  o 10.622  5.1566  9.1587     41.717   -29.1138   58.412   49.004     59.600   10.127  5.1046  12.210  5.9790  -2.083409      7.861681 
1 1 1 -31 -4  8  o 9.7640  4.9426  -47.6935   58.701   -56.0892   64.299   -5.6729    143.848  9.8593  5.0093  ?       ?       0.000000       5.009274 
1 1 1 -31 -4  9  o 16.137  7.5573  182.051    74.183   166.747    85.450   228.873    149.467  14.417  7.0799  ?       ?       0.000000       7.079942 
1 1 1 -31 -4  10 o 16.107  7.0286  114.624    51.809   127.680    72.382   100.908    74.190   14.243  6.8845  13.307  6.5473  0.9351749      9.500704 
1 1 1 -31 -4  11 o 15.546  6.9839  114.003    54.917   168.266    75.008   51.310     80.625   15.481  7.3550  12.040  6.0599  3.440653       9.529926 
1 1 1 -31 -4  12 o 19.653  8.0227  187.565    60.505   205.746    84.412   168.354    86.771   15.708  7.5539  14.394  7.0817  1.314299       10.35431 
1 1 1 -31 -4  13 o 12.884  6.5485  137.682    110.666  -67.1558   224.790  203.210    127.142  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  14 o ?       ?       122.471    112.077  -33.4402   220.162  177.008    130.212  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  15 f ?       ?       -75.6534   87.064   -120.6262  207.520  -66.0463   95.914   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  16 o 11.664  5.7008  30.604     53.429   22.957     75.467   38.288     75.654   11.544  5.8169  11.841  5.9481  -0.2970619     8.319631 
1 1 1 -31 -4  17 o 12.369  6.0322  52.308     58.884   13.268     82.693   92.466     83.869   11.424  5.7918  12.820  6.4145  -1.395227      8.642406 
1 1 1 -31 -4  18 o 10.632  5.3104  -5.1786    56.309   1.9696     77.360   -13.2331   82.119   11.192  5.6662  11.025  5.6072  0.1668472      7.971613 
1 1 1 -31 -4  19 o 9.4900  4.7981  -50.8303   54.146   55.243     75.770   -161.5340  77.406   12.187  6.0976  ?       ?       0.000000       6.097617 
1 1 1 -31 -4  20 o 14.242  6.7781  109.083    64.232   52.683     86.612   178.011    95.750   12.041  6.0862  14.064  7.0086  -2.023091      9.282390 
1 1 1 -31 -4  21 o 17.443  7.8917  198.508    71.585   263.999    99.327   127.727    103.261  15.724  7.7035  12.913  6.5386  2.810762       10.10429 
1 1 1 -31 -4  22 o 12.170  6.0038  49.533     63.823   86.020     84.870   2.0448     96.823   12.637  6.3414  ?       ?       0.000000       6.341426 
1 1 1 -31 -4  23 o 12.697  6.3540  86.907     82.443   137.648    93.839   -84.7800   172.611  13.330  6.6864  ?       ?       0.000000       6.686366 
1 1 1 -31 -4  24 o 15.864  7.6911  241.132    91.963   311.454    107.124  44.096     179.313  15.972  7.8600  ?       ?       0.000000       7.860019 
1 1 1 -31 -4  25 o 11.687  5.8822  33.257     75.971   44.698     86.113   -6.9110    161.351  11.867  6.0049  ?       ?       0.000000       6.004862 
1 1 1 -31 -4  26 o 13.002  6.3892  85.101     69.941   60.189     93.010   117.519    106.101  12.057  6.1156  12.658  6.4318  -0.6014967     8.875191 
1 1 1 -31 -4  27 o 9.5698  4.8483  -53.5939   57.285   -37.7410   70.310   -84.8965   98.800   10.352  5.2576  ?       ?       0.000000       5.257555 
1 1 1 -31 -4  28 o 12.139  5.9826  49.266     62.825   48.331     78.456   50.938     104.889  11.963  6.0153  ?       ?       0.000000       6.015257 
1 1 1 -31 -4  29 o ?       ?       48.780     119.156  182.822    329.471  28.610     127.807  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  30 o ?       ?       81.380     116.555  158.380    337.302  70.940     124.206  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  31 o ?       ?       137.169    130.171  619.161    348.227  58.878     140.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  32 o 10.096  5.0919  -31.9645   58.547   -72.7182   71.227   52.931     102.802  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  33 o 10.235  5.1472  -23.5544   57.511   -36.1836   69.684   3.4242     101.848  10.405  5.2793  ?       ?       0.000000       5.279320 
1 1 1 -31 -4  34 o ?       ?       -145.5132  52.056   -142.3123  61.414   -153.6823  98.110   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  35 o 20.181  8.4552  236.026    69.617   250.168    86.742   210.430    116.700  16.816  7.9659  13.539  6.8657  3.276598       10.51633 
1 1 1 -31 -4  36 o 9.5265  4.8174  -46.6860   54.789   -77.3585   71.830   -4.0131    84.724   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -4  37 o 14.766  6.9035  123.401    61.434   75.917     79.227   195.005    97.290   12.270  6.1533  13.890  6.9440  -1.620070      9.278077 
1 1 1 -31 -4  38 o 10.709  5.3598  7.9250     58.730   70.491     75.083   -90.6948   94.266   12.078  6.0471  ?       ?       0.000000       6.047083 
1 1 1 -31 -4  39 o 10.985  5.5419  23.136     69.670   41.122     73.633   -130.6298  215.290  11.321  5.7096  ?       ?       0.000000       5.709604 
1 1 1 -31 -4  40 o 11.317  5.7168  53.628     75.566   32.537     79.613   245.358    240.042  10.955  5.5666  ?       ?       0.000000       5.566577 
1 1 1 -31 -3  1  o ?       ?       -85.7083   11.079   0.0000     0.0000   -85.7083   11.079   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  2  o 10.453  5.0281  7.5920     37.456   0.0000     0.0000   7.5920     37.456   ?       ?       10.453  5.0281  0.000000       5.028071 
1 1 1 -31 -3  3  f 12.297  5.7445  41.038     42.402   0.0000     0.0000   41.038     42.402   ?       ?       12.297  5.7445  0.000000       5.744508 
1 1 1 -31 -3  4  f 11.650  5.6858  29.684     52.606   0.0000     0.0000   29.684     52.606   ?       ?       11.650  5.6858  0.000000       5.685809 
1 1 1 -31 -3  5  o 12.674  6.2273  67.107     66.375   0.0000     0.0000   67.107     66.375   ?       ?       12.674  6.2273  0.000000       6.227323 
1 1 1 -31 -3  6  o 12.392  6.0568  54.084     60.317   16.463     67.273   208.302    136.206  11.349  5.6883  ?       ?       0.000000       5.688255 
1 1 1 -31 -3  7  o 10.557  5.2782  -7.8461    56.278   -12.5416   62.113   13.681     132.994  10.618  5.3408  ?       ?       0.000000       5.340789 
1 1 1 -31 -3  8  o 9.3482  4.7381  -60.6513   55.125   -55.3358   61.252   -83.3056   126.452  9.7566  4.9503  ?       ?       0.000000       4.950306 
1 1 1 -31 -3  9  o 10.144  5.0108  -7.2003    44.967   -30.6043   64.143   15.418     63.057   10.319  5.2178  11.277  5.6305  -0.9574184     7.676487 
1 1 1 -31 -3  10 o 9.0970  4.5646  -39.9035   43.910   -87.3368   61.322   10.008     62.904   ?       ?       11.153  5.5766  0.000000       5.576588 
1 1 1 -31 -3  11 o 12.517  6.0374  53.579     54.930   77.919     75.544   26.274     80.013   12.718  6.3195  11.627  5.8745  1.091191       8.628158 
1 1 1 -31 -3  12 o ?       ?       -82.5285   51.904   -8.6105    68.901   -179.5100  78.921   10.879  5.4909  ?       ?       0.000000       5.490919 
1 1 1 -31 -3  13 o ?       ?       144.301    115.618  258.836    249.787  113.071    130.432  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  14 o ?       ?       -140.0324  100.587  -425.4915  198.122  -40.8997   116.754  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  15 o 9.5079  4.8256  -63.0944   58.501   -69.7779   71.933   -50.0382   100.539  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  16 o 9.4084  4.7567  -53.0583   53.181   -64.0921   71.043   -38.9945   80.207   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  17 o 11.466  5.6622  23.205     57.243   24.569     80.098   21.781     81.838   11.622  5.8725  11.584  5.8606  0.3844643E-01  8.296597 
1 1 1 -31 -3  18 o 11.133  5.5303  11.544     57.701   -31.4621   81.670   54.407     81.534   ?       ?       12.150  6.1123  0.000000       6.112310 
1 1 1 -31 -3  19 o 11.490  5.6777  24.044     57.913   115.939    79.483   -79.9511   84.554   13.546  6.6860  ?       ?       0.000000       6.686027 
1 1 1 -31 -3  20 o 15.855  7.3043  144.850    65.016   88.683     87.955   212.512    96.536   12.673  6.3720  14.806  7.3189  -2.132668      9.704012 
1 1 1 -31 -3  21 o 16.296  7.4403  154.844    65.459   140.207    85.949   175.059    101.008  13.797  6.8354  13.773  6.9126  0.2345657E-01  9.721498 
1 1 1 -31 -3  22 o 11.926  5.9201  40.432     65.668   32.708     72.134   77.811     158.684  11.728  5.8801  ?       ?       0.000000       5.880112 
1 1 1 -31 -3  23 o 13.380  6.5589  99.356     72.315   85.952     78.967   169.011    180.018  12.793  6.3733  ?       ?       0.000000       6.373335 
1 1 1 -31 -3  24 o 14.210  6.8297  118.279    68.790   153.397    75.033   -66.7946   172.252  14.929  7.1641  ?       ?       0.000000       7.164107 
1 1 1 -31 -3  25 o 10.396  5.1853  -9.1230    52.919   54.482     64.459   -140.6239  92.683   12.295  6.0594  ?       ?       0.000000       6.059394 
1 1 1 -31 -3  26 o ?       ?       -88.1320   57.608   -131.8022  73.585   -18.9919   92.590   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  27 o 10.717  5.3525  -1.7152    57.175   17.763     69.880   -41.1598   99.442   11.371  5.7124  ?       ?       0.000000       5.712383 
1 1 1 -31 -3  28 o ?       ?       -92.2348   64.395   -121.9928  85.626   -53.4935   97.700   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  29 o ?       ?       7.7876     118.633  264.096    331.522  -29.8530   127.045  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  30 o ?       ?       298.770    135.653  231.819    352.688  310.394    146.958  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  31 o 10.603  5.3453  -16.9178   64.197   -28.4023   83.155   0.0248     101.000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  32 o 13.253  6.5117  93.407     72.595   90.199     99.393   97.074     106.281  12.517  6.3463  ?       ?       0.000000       6.346303 
1 1 1 -31 -3  33 o 12.187  6.0471  50.619     68.240   -81.0086   89.969   228.915    104.711  ?       ?       14.572  7.2724  0.000000       7.272441 
1 1 1 -31 -3  34 o 10.439  5.2758  -25.4542   64.957   -0.2215    84.475   -61.9576   101.604  11.228  5.7083  ?       ?       0.000000       5.708316 
1 1 1 -31 -3  35 o 13.267  6.4253  85.450     63.785   100.555    92.939   72.001     87.700   12.655  6.3863  12.274  6.1952  0.3809299      8.897531 
1 1 1 -31 -3  36 o 9.1783  4.6673  -70.6604   56.713   -89.7667   83.098   -54.0011   77.594   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  37 o 14.095  6.7512  119.731    65.933   84.196     91.579   157.971    95.001   12.168  6.1610  13.282  6.6712  -1.114268      9.080883 
1 1 1 -31 -3  38 o ?       ?       -54.4445   73.713   -28.2192   83.455   -147.5167  157.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  39 o 10.782  5.4737  12.171     75.622   -10.6371   83.501   116.214    178.340  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -3  40 o 10.817  5.3922  28.000     56.866   -25.8805   73.157   110.251    90.388   ?       ?       11.884  6.0279  0.000000       6.027865 
1 1 1 -31 -2  1  o 13.472  6.5529  91.314     68.226   0.0000     0.0000   91.314     68.226   ?       ?       13.472  6.5529  0.000000       6.552859 
1 1 1 -31 -2  2  o 11.702  5.7021  29.640     52.320   0.0000     0.0000   29.640     52.320   ?       ?       11.702  5.7021  0.000000       5.702108 
1 1 1 -31 -2  3  o 13.458  6.5098  87.774     64.989   0.0000     0.0000   87.774     64.989   ?       ?       13.458  6.5098  0.000000       6.509787 
1 1 1 -31 -2  4  o 10.863  5.4118  2.1456     56.895   0.0000     0.0000   2.1456     56.895   ?       ?       10.863  5.4118  0.000000       5.411794 
1 1 1 -31 -2  5  o 9.9289  4.8662  -6.0795    39.742   45.853     57.119   -54.8121   55.331   12.194  5.9454  9.4876  4.8022  2.706261       7.642596 
1 1 1 -31 -2  6  o 12.280  5.9659  47.931     56.094   84.014     61.540   -129.3025  136.387  13.450  6.4636  ?       ?       0.000000       6.463555 
1 1 1 -31 -2  7  o ?       ?       -87.5418   55.430   -120.4115  61.137   64.285     131.395  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  8  o 26.053  8.5434  259.673    62.351   136.245    92.697   361.658    84.261   13.411  6.7151  23.813  9.5585  -10.40272      11.68149 
1 1 1 -31 -2  9  o 14.328  6.5300  83.702     50.131   53.513     72.755   110.989    69.171   12.205  6.0864  13.977  6.7497  -1.772578      9.088605 
1 1 1 -31 -2  10 o 10.409  5.1857  -9.1530    52.252   -11.6712   67.669   -5.4342    82.232   10.801  5.4507  11.161  5.6699  -0.3591032     7.864990 
1 1 1 -31 -2  11 o 16.659  7.4365  147.189    61.221   135.985    86.195   158.594    86.969   13.724  6.8073  14.222  7.0149  -0.4985065     9.774859 
1 1 1 -31 -2  12 o 11.887  6.0132  39.684     85.950   10.141     264.121  43.183     90.897   ?       ?       11.930  6.0506  0.000000       6.050563 
1 1 1 -31 -2  13 o ?       ?       -193.2444  91.512   -880.2766  237.496  -73.4535   99.170   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  14 o 13.466  6.5106  87.779     64.823   94.963     83.770   77.058     102.339  12.940  6.4650  12.332  6.2708  0.6078625      9.006614 
1 1 1 -31 -2  15 o 13.874  6.6144  93.381     61.729   31.009     80.664   181.530    95.894   11.757  5.9351  14.235  7.0809  -2.478103      9.239262 
1 1 1 -31 -2  16 o 13.425  6.3587  73.619     55.241   16.196     73.413   148.574    83.875   11.452  5.7664  14.198  6.9809  -2.745834      9.054575 
1 1 1 -31 -2  17 o 22.052  8.4993  228.720    64.282   202.976    84.697   263.697    98.725   15.734  7.5663  15.937  7.7806  -0.2029428     10.85294 
1 1 1 -31 -2  18 o 14.575  6.7523  99.251     56.720   145.885    73.620   31.141     88.971   14.920  7.1431  11.764  5.9687  3.155484       9.308527 
1 1 1 -31 -2  19 o 13.143  6.2857  69.326     56.668   53.702     73.002   93.015     89.890   12.235  6.1009  12.744  6.4119  -0.5081463     8.850610 
1 1 1 -31 -2  20 o 10.094  5.0460  -19.7231   51.382   31.085     64.762   -106.0487  84.415   11.720  5.8281  ?       ?       0.000000       5.828115 
1 1 1 -31 -2  21 o 13.794  6.5943  93.287     62.234   66.563     79.334   136.042    100.347  12.410  6.2140  13.171  6.6455  -0.7609539     9.098123 
1 1 1 -31 -2  22 f 14.433  6.9796  136.125    74.593   145.714    82.493   93.137     174.672  14.148  6.9494  ?       ?       0.000000       6.949437 
1 1 1 -31 -2  23 o 11.817  5.8994  36.423     69.108   -6.3752    75.698   250.614    169.345  11.033  5.5880  ?       ?       0.000000       5.588007 
1 1 1 -31 -2  24 o 11.294  5.6002  18.226     58.142   46.725     73.025   -31.1238   96.095   12.021  6.0106  ?       ?       0.000000       6.010573 
1 1 1 -31 -2  25 o 11.713  5.7833  32.688     59.671   46.656     75.445   9.3529     97.514   11.992  6.0124  ?       ?       0.000000       6.012407 
1 1 1 -31 -2  26 o 11.130  5.5498  11.402     60.399   35.351     76.978   -26.9561   97.423   11.759  5.9186  ?       ?       0.000000       5.918559 
1 1 1 -31 -2  27 o ?       ?       -79.3348   62.041   -128.7335  85.361   -24.0192   90.328   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  28 o ?       ?       90.928     120.001  32.833     304.424  101.616    130.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  29 o ?       ?       76.685     124.922  719.057    338.352  -24.6991   134.419  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  30 o 12.957  6.3696  80.237     69.743   64.956     92.039   100.842    106.879  12.215  6.1837  ?       ?       0.000000       6.183669 
1 1 1 -31 -2  31 o 13.114  6.4390  85.473     70.605   78.349     99.219   92.781     100.496  12.365  6.2767  12.548  6.3637  -0.1820440     8.938327 
1 1 1 -31 -2  32 o 13.801  6.7414  114.432    74.400   162.944    102.525  60.465     108.135  13.562  6.8267  ?       ?       0.000000       6.826694 
1 1 1 -31 -2  33 o 12.148  6.0333  48.950     68.549   82.076     91.457   6.4844     103.552  12.505  6.3134  ?       ?       0.000000       6.313449 
1 1 1 -31 -2  34 o 14.445  6.9675  134.687    73.176   220.380    99.255   32.647     108.310  14.710  7.2979  ?       ?       0.000000       7.297919 
1 1 1 -31 -2  35 o ?       ?       -119.0303  54.763   -119.1637  81.770   -118.9219  73.743   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  36 o ?       ?       -122.8014  54.070   -197.0139  81.039   -63.2598   72.589   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  37 o 11.462  5.7120  34.447     63.626   17.921     91.764   49.748     88.298   ?       ?       11.646  5.9125  0.000000       5.912525 
1 1 1 -31 -2  38 o 11.719  5.9350  65.279     85.299   23.222     95.391   233.085    190.542  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  39 o ?       ?       -29.1062   78.346   -8.0797    88.756   -103.3015  166.726  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -2  40 o 11.109  5.5588  44.577     63.021   -30.6096   90.900   114.166    87.450   ?       ?       11.908  6.0284  0.000000       6.028392 
1 1 1 -31 -1  1  o 11.461  5.6083  22.452     52.180   0.0000     0.0000   22.452     52.180   ?       ?       11.461  5.6083  0.000000       5.608323 
1 1 1 -31 -1  2  o 12.782  6.2384  65.380     63.322   0.0000     0.0000   65.380     63.322   ?       ?       12.782  6.2384  0.000000       6.238393 
1 1 1 -31 -1  3  o 13.223  6.3687  75.650     60.600   0.0000     0.0000   75.650     60.600   ?       ?       13.223  6.3687  0.000000       6.368738 
1 1 1 -31 -1  4  o 11.324  5.4966  21.717     47.334   132.268    90.947   -19.3531   55.434   13.444  6.7201  10.276  5.1525  3.168313       8.467992 
1 1 1 -31 -1  5  o 11.645  5.7365  29.077     57.552   27.490     63.067   36.979     140.733  11.616  5.7723  ?       ?       0.000000       5.772288 
1 1 1 -31 -1  6  o 12.909  6.3301  75.606     67.537   71.001     74.875   95.704     156.432  12.587  6.2604  ?       ?       0.000000       6.260408 
1 1 1 -31 -1  7  o 11.392  5.5564  23.085     50.022   -45.8034   72.612   85.305     69.009   ?       ?       13.149  6.4375  0.000000       6.437511 
1 1 1 -31 -1  8  o 14.027  6.4906  81.695     52.176   114.902    74.276   49.348     73.309   13.797  6.7387  12.116  6.0528  1.680902       9.057957 
1 1 1 -31 -1  9  o 11.753  5.7578  32.253     55.473   68.898     71.902   -21.6350   87.193   12.616  6.2508  ?       ?       0.000000       6.250783 
1 1 1 -31 -1  10 o 12.115  5.9289  43.286     58.368   8.8421     77.196   89.261     89.185   11.345  5.7351  12.692  6.3859  -1.347291      8.583230 
1 1 1 -31 -1  11 o 13.654  6.8375  153.120    96.139   -97.8825   267.103  190.477    103.045  ?       ?       14.019  7.0285  0.000000       7.028527 
1 1 1 -31 -1  12 o 14.911  7.4040  236.050    103.015  71.610     282.117  261.348    110.656  ?       ?       14.858  7.4245  0.000000       7.424487 
1 1 1 -31 -1  13 o 13.200  6.2703  67.557     54.475   26.093     72.081   122.779    83.185   11.653  5.8472  13.603  6.7368  -1.950194      8.920466 
1 1 1 -31 -1  14 o 11.646  5.6901  28.423     53.112   56.552     64.056   -33.4635   95.011   12.474  6.1267  ?       ?       0.000000       6.126661 
1 1 1 -31 -1  15 o 9.0652  4.5625  -47.4811   45.705   -90.8416   59.674   14.052     71.087   ?       ?       11.403  5.7327  0.000000       5.732735 
1 1 1 -31 -1  16 o 18.722  7.8179  168.569    59.231   210.344    79.244   115.685    89.161   16.803  7.8505  13.222  6.6153  3.581343       10.26614 
1 1 1 -31 -1  17 o 11.343  5.5896  19.044     54.803   5.2525     71.804   38.289     84.820   11.235  5.6627  11.893  6.0122  -0.6579466     8.259109 
1 1 1 -31 -1  18 o 12.513  6.0442  52.437     55.562   58.667     70.576   42.281     90.106   12.408  6.1554  11.939  6.0521  0.4684105      8.632303 
1 1 1 -31 -1  19 o 17.719  7.7606  171.126    63.684   228.734    83.775   92.265     98.019   16.790  7.9158  12.596  6.3774  4.193920       10.16518 
1 1 1 -31 -1  20 o 13.294  6.3395  72.928     56.790   78.300     74.121   65.291     88.373   12.810  6.3470  12.293  6.2062  0.5179701      8.877028 
1 1 1 -31 -1  21 o 11.353  5.7105  13.272     71.017   19.900     77.171   -23.3828   181.477  11.528  5.8177  ?       ?       0.000000       5.817657 
1 1 1 -31 -1  22 o 11.289  5.6716  11.778     68.882   -28.9843   75.023   230.655    173.845  10.674  5.4221  ?       ?       0.000000       5.422075 
1 1 1 -31 -1  23 o 11.121  5.5990  3.8198     69.135   -35.8095   75.366   214.170    173.636  10.571  5.3759  ?       ?       0.000000       5.375885 
1 1 1 -31 -1  24 o 10.708  5.3435  -2.4412    56.492   25.595     70.573   -52.4467   94.251   11.573  5.8044  ?       ?       0.000000       5.804368 
1 1 1 -31 -1  25 o 14.149  6.7585  108.594    65.114   108.253    84.677   109.088    101.853  13.109  6.5420  12.689  6.4322  0.4204082      9.174511 
1 1 1 -31 -1  26 o 10.112  5.1254  -42.6755   64.536   -13.2414   87.743   -77.3645   95.254   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  27 o ?       ?       -95.6150   66.254   -103.7012  80.648   -78.8289   116.197  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  28 o ?       ?       16.483     112.278  397.810    250.989  -78.9182   125.540  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  29 o ?       ?       145.331    123.404  241.155    285.630  123.339    136.834  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  30 o 11.470  5.7385  20.549     67.021   107.594    90.161   -86.9464   100.194  12.983  6.5180  ?       ?       0.000000       6.518022 
1 1 1 -31 -1  31 o 13.707  6.7012  110.070    73.970   133.609    98.142   79.111     112.550  13.240  6.6665  ?       ?       0.000000       6.666499 
1 1 1 -31 -1  32 o 10.279  5.2095  -39.5064   66.549   -141.7913  89.306   88.220     99.796   ?       ?       12.505  6.3420  0.000000       6.341959 
1 1 1 -31 -1  33 o 11.330  5.6810  14.575     67.405   -4.7933    91.026   38.090     100.299  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  34 o 9.5277  4.8376  -62.0466   59.255   -56.1725   86.158   -67.3186   81.623   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  35 o 10.872  5.4425  4.0597     60.682   -117.6338  89.695   106.769    82.402   ?       ?       13.003  6.4833  0.000000       6.483339 
1 1 1 -31 -1  36 o 13.814  6.6724  114.088    67.684   170.521    98.532   63.668     93.135   13.420  6.7473  11.907  6.0477  1.513160       9.061003 
1 1 1 -31 -1  37 o ?       ?       -135.0613  75.061   -93.5290   82.771   -327.3537  178.100  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  38 o ?       ?       -107.2242  75.338   -114.8099  84.892   -79.0979   163.464  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 -1  39 o 14.308  6.8571  154.293    68.229   71.307     98.192   231.768    94.876   ?       ?       13.823  6.9026  0.000000       6.902630 
1 1 1 -31 0   1  o 9.8201  4.9530  -41.1562   55.473   0.0000     0.0000   -41.1562   55.473   ?       ?       9.8201  4.9530  0.000000       4.952974 
1 1 1 -31 0   2  o 12.719  6.2736  69.125     69.581   0.0000     0.0000   69.125     69.581   ?       ?       12.719  6.2736  0.000000       6.273583 
1 1 1 -31 0   3  o 11.539  5.7270  23.984     61.373   0.0000     0.0000   23.984     61.373   ?       ?       11.539  5.7270  0.000000       5.726980 
1 1 1 -31 0   4  o 9.4175  4.7431  -43.7079   49.856   -54.0430   53.071   33.905     145.434  9.3846  4.7453  ?       ?       0.000000       4.745253 
1 1 1 -31 0   5  o 14.887  7.1582  151.444    75.741   200.450    84.781   -42.2797   168.565  15.601  7.5188  ?       ?       0.000000       7.518812 
1 1 1 -31 0   6  o 12.773  6.0547  55.305     50.281   20.123     78.019   80.299     65.759   11.535  5.8245  13.135  6.3987  -1.600180      8.652693 
1 1 1 -31 0   7  o 9.0977  4.5700  -42.4646   44.653   -35.3385   65.149   -48.7784   61.323   10.294  5.2103  9.9014  5.0163  0.3923149      7.232595 
1 1 1 -31 0   8  o 9.9639  4.9581  -17.2427   47.197   53.497     61.232   -120.7818  74.080   12.403  6.0706  ?       ?       0.000000       6.070641 
1 1 1 -31 0   9  o 10.978  5.3729  12.319     47.952   58.048     59.680   -70.9824   80.549   12.601  6.1291  ?       ?       0.000000       6.129054 
1 1 1 -31 0   10 o ?       ?       -185.7319  78.844   -112.6668  175.569  -204.1890  88.242   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   11 o 11.508  5.8324  14.644     83.364   -224.9539  240.914  47.235     88.853   ?       ?       12.021  6.0846  0.000000       6.084553 
1 1 1 -31 0   12 o 14.295  7.0637  166.007    89.602   0.0000     0.0000   166.007    89.602   ?       ?       14.295  7.0637  0.000000       7.063725 
1 1 1 -31 0   13 o 14.881  6.8344  103.365    56.325   92.847     74.800   117.138    85.598   13.205  6.5117  13.383  6.6624  -0.1784487     9.316085 
1 1 1 -31 0   14 o 15.175  6.8935  106.127    55.289   115.577    74.559   94.581     82.410   13.873  6.7704  13.001  6.4825  0.8721752      9.373412 
1 1 1 -31 0   15 o 16.889  7.4044  139.942    58.099   102.498    77.895   186.890    87.222   13.344  6.5924  15.033  7.3335  -1.688546      9.861030 
1 1 1 -31 0   16 o 10.813  5.3407  4.5964     51.013   -30.7930   68.992   47.280     75.769   10.526  5.3317  12.102  6.0617  -1.576070      8.072832 
1 1 1 -31 0   17 f 15.188  6.9521  111.714    57.623   91.383     78.625   135.305    84.696   13.033  6.4711  13.839  6.8436  -0.8054361     9.418580 
1 1 1 -31 0   18 o 12.912  6.2385  65.682     59.270   8.8027     77.360   146.522    92.226   11.363  5.7441  13.714  6.8412  -2.351098      8.932852 
1 1 1 -31 0   19 o 11.562  5.6964  25.755     56.803   -106.1510  75.765   195.064    85.837   ?       ?       15.361  7.4432  0.000000       7.443175 
1 1 1 -31 0   20 o 10.261  5.1915  -35.9255   64.249   -37.6987   70.656   -27.4584   154.401  10.438  5.2981  ?       ?       0.000000       5.298089 
1 1 1 -31 0   21 o ?       ?       -133.8338  62.525   -87.5690   67.878   -392.9458  160.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   22 o 13.336  6.6192  112.034    82.005   143.401    93.133   3.8019     172.999  13.549  6.7764  ?       ?       0.000000       6.776425 
1 1 1 -31 0   23 o 11.802  5.8467  34.997     62.863   -74.8027   83.402   179.429    95.655   ?       ?       14.131  7.0361  0.000000       7.036077 
1 1 1 -31 0   24 o 12.376  6.0740  54.916     62.602   34.391     80.338   86.644     99.887   11.760  5.9348  12.421  6.3043  -0.6615620     8.658332 
1 1 1 -31 0   25 o 12.307  6.0859  55.410     66.943   63.688     89.594   44.947     100.724  12.198  6.1675  ?       ?       0.000000       6.167497 
1 1 1 -31 0   26 o 12.308  6.1090  57.211     69.847   -18.6440   95.531   144.334    102.381  ?       ?       13.195  6.6641  0.000000       6.664096 
1 1 1 -31 0   27 o ?       ?       20.393     111.435  -88.0515   248.558  47.672     124.665  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   28 o ?       ?       -73.6140   105.013  13.959     225.715  -97.8060   118.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   29 o 10.990  5.5454  -4.0160    69.917   -42.4447   94.456   42.555     103.982  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   30 o 10.321  5.2290  -37.1965   66.610   8.6918     86.636   -103.5417  104.172  11.430  5.8080  ?       ?       0.000000       5.808022 
1 1 1 -31 0   31 o 15.988  7.5121  174.397    74.317   194.545    102.155  151.746    108.315  14.150  7.0799  13.224  6.6962  0.9256744      9.744994 
1 1 1 -31 0   32 o ?       ?       -74.6171   66.176   -43.0201   85.916   -120.7047  103.763  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   33 o 12.397  6.1676  62.466     72.877   82.414     95.783   35.042     112.305  12.420  6.2901  ?       ?       0.000000       6.290088 
1 1 1 -31 0   34 o ?       ?       -105.9621  56.232   -89.6081   85.989   -118.1811  74.327   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   35 o 11.370  5.6702  24.980     63.129   86.214     93.081   -27.1769   85.906   12.311  6.2308  ?       ?       0.000000       6.230827 
1 1 1 -31 0   36 o ?       ?       3.0902     84.131   -21.0168   93.352   107.349    194.138  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   37 o ?       ?       -97.7476   77.695   -73.0245   87.548   -189.4106  168.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   38 o 10.775  5.4205  18.341     64.084   92.688     95.816   -41.8318   86.200   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 0   39 o 12.673  6.1855  98.240     62.298   70.038     89.539   124.701    86.733   ?       ?       12.137  6.1302  0.000000       6.130200 
1 1 1 -31 1   1  o 11.937  5.9288  37.620     66.233   0.0000     0.0000   37.620     66.233   ?       ?       11.937  5.9288  0.000000       5.928756 
1 1 1 -31 1   2  o 11.964  5.9726  40.524     70.830   0.0000     0.0000   40.524     70.830   ?       ?       11.964  5.9726  0.000000       5.972616 
1 1 1 -31 1   3  o 10.639  5.3544  -14.6863   62.944   -5.2204    69.567   -57.4158   147.805  10.983  5.5405  ?       ?       0.000000       5.540512 
1 1 1 -31 1   4  o 12.775  6.2730  70.076     67.055   9.9846     77.708   245.280    132.687  11.363  5.7452  ?       ?       0.000000       5.745152 
1 1 1 -31 1   5  o ?       ?       -90.7904   38.650   -46.9066   60.422   -121.1833  50.284   9.8963  5.0101  ?       ?       0.000000       5.010069 
1 1 1 -31 1   6  o 16.830  7.0712  114.724    48.915   72.419     67.118   162.647    71.436   12.834  6.2970  15.816  7.4100  -2.981532      9.724263 
1 1 1 -31 1   7  o 10.387  5.1050  -0.7038    44.699   16.417     56.205   -30.1652   73.730   11.255  5.5674  10.635  5.3997  0.6194763      7.755748 
1 1 1 -31 1   8  o 12.174  5.8716  42.616     51.955   -42.4570   67.788   163.747    80.888   10.268  5.2095  14.841  7.1993  -4.572934      8.886422 
1 1 1 -31 1   9  o 11.541  5.8652  15.434     88.590   -7.7750    184.937  22.346     100.923  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   10 o 12.008  6.1042  48.665     96.363   8.0277     197.177  61.417     110.452  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   11 o 15.032  7.3223  184.051    86.054   -14.3738   250.550  210.589    91.628   ?       ?       15.266  7.4620  0.000000       7.461966 
1 1 1 -31 1   12 o 13.463  6.3986  76.099     56.857   45.850     77.227   111.902    84.019   12.059  6.0514  13.324  6.6276  -1.264391      8.974672 
1 1 1 -31 1   13 o 11.848  5.7951  34.009     55.530   -3.1301    77.716   72.748     79.373   11.177  5.6608  12.597  6.2936  -1.419948      8.464866 
1 1 1 -31 1   14 o 15.771  7.2456  136.536    63.390   75.765     93.170   188.911    86.495   12.442  6.2909  15.153  7.3721  -2.710489      9.691423 
1 1 1 -31 1   15 f 14.643  6.8776  110.968    62.185   3.7179     92.618   199.000    83.910   ?       ?       15.738  7.5587  0.000000       7.558684 
1 1 1 -31 1   16 o ?       ?       -90.2045   52.766   -66.4846   82.862   -106.3833  68.434   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   17 o 12.553  6.1403  58.000     62.371   2.8635     92.931   103.192    84.134   ?       ?       13.120  6.5432  0.000000       6.543229 
1 1 1 -31 1   18 o 13.129  6.3835  77.646     64.562   93.048     91.235   62.197     91.373   12.734  6.4140  12.231  6.1887  0.5030994      8.912851 
1 1 1 -31 1   19 o 21.069  8.7613  263.682    73.954   153.289    105.904  368.747    103.317  13.301  6.7237  18.398  8.7090  -5.096900      11.00251 
1 1 1 -31 1   20 o ?       ?       -93.1648   78.761   -73.6163   91.409   -149.5092  155.188  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   21 o ?       ?       -34.0061   82.287   -57.0259   95.437   32.694     162.453  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   22 f 10.831  5.4428  -5.2995    63.674   -58.9102   92.836   42.323     87.498   ?       ?       11.897  6.0236  0.000000       6.023584 
1 1 1 -31 1   23 o 17.021  7.6845  174.874    67.459   169.204    91.359   181.671    100.034  14.148  7.0161  13.927  6.9742  0.2203808      9.892618 
1 1 1 -31 1   24 o 13.736  6.6882  109.522    71.604   65.032     98.856   158.627    103.856  12.137  6.1710  13.366  6.7456  -1.228253      9.142406 
1 1 1 -31 1   25 o ?       ?       -71.5601   62.944   -157.0776  83.273   42.427     96.140   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   26 o ?       ?       98.698     114.733  -62.9274   252.662  140.684    128.777  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   27 o ?       ?       -7.3642    110.764  -264.0411  249.357  55.731     123.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   28 o 12.603  6.3908  100.275    101.010  344.534    261.069  57.273     109.541  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   29 o 13.081  6.4439  87.329     72.633   70.432     96.460   109.456    110.380  12.275  6.2266  ?       ?       0.000000       6.226581 
1 1 1 -31 1   30 o 14.395  6.9571  131.294    73.839   206.984    99.020   36.486     110.822  14.576  7.2415  ?       ?       0.000000       7.241496 
1 1 1 -31 1   31 o 12.033  5.9916  43.591     69.410   26.288     94.063   64.277     102.845  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   32 o 10.671  5.3925  -18.4782   67.744   -92.4839   90.178   77.384     102.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   33 o 11.710  5.8141  33.384     63.464   60.624     94.109   10.663     85.947   12.078  6.1289  11.372  5.7792  0.7057428      8.423903 
1 1 1 -31 1   34 o 9.8949  5.0053  -39.9504   59.519   -14.4165   82.838   -67.1990   85.574   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   35 o 12.368  6.1067  66.592     66.507   103.032    97.658   35.075     90.823   12.395  6.2850  ?       ?       0.000000       6.284994 
1 1 1 -31 1   36 o ?       ?       14.364     86.248   26.636     95.762   -38.3484   198.473  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   37 o 12.774  6.4372  147.583    92.539   108.945    105.215  279.584    194.472  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 1   38 o 11.138  5.5757  39.929     63.691   -80.3621   93.857   142.602    86.711   ?       ?       12.611  6.3392  0.000000       6.339211 
1 1 1 -31 2   1  o 11.467  5.7351  18.871     66.675   0.0000     0.0000   18.871     66.675   ?       ?       11.467  5.7351  0.000000       5.735097 
1 1 1 -31 2   2  o 11.343  5.6086  18.723     56.808   60.139     64.426   -126.0065  120.435  12.557  6.1625  ?       ?       0.000000       6.162549 
1 1 1 -31 2   3  o 9.6760  4.8455  -29.6045   48.317   -37.0206   52.904   7.6865     118.632  9.7436  4.9046  ?       ?       0.000000       4.904593 
1 1 1 -31 2   4  o 12.388  5.8602  45.155     46.634   8.9669     66.723   79.713     65.203   11.209  5.6248  13.137  6.3936  -1.927532      8.515666 
1 1 1 -31 2   5  o 9.1511  4.5756  -34.1870   42.326   -78.8705   58.126   16.248     61.754   ?       ?       11.312  5.6357  0.000000       5.635681 
1 1 1 -31 2   6  o 15.843  7.0259  114.287    53.742   68.118     71.973   172.470    80.795   12.581  6.2369  15.094  7.2905  -2.513189      9.594298 
1 1 1 -31 2   7  o 10.970  5.3789  11.957     48.728   35.118     63.455   -21.3264   76.070   11.823  5.8605  10.823  5.4939  1.000469       8.033015 
1 1 1 -31 2   8  o 12.116  6.1421  56.704     92.937   98.670     264.250  50.780     99.280   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   9  o 12.933  6.5330  116.086    98.700   125.135    199.997  113.173    113.482  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   10 o 13.234  6.6174  116.475    88.588   -99.9569   209.617  163.536    97.746   ?       ?       13.782  6.9003  0.000000       6.900284 
1 1 1 -31 2   11 o 12.606  6.1388  58.324     60.372   135.111    85.940   -16.4881   84.828   13.754  6.8181  ?       ?       0.000000       6.818110 
1 1 1 -31 2   12 o 12.354  6.0467  50.942     60.758   5.7896     89.352   89.776     82.865   ?       ?       12.869  6.4300  0.000000       6.429951 
1 1 1 -31 2   13 o 14.776  6.9484  117.750    63.813   56.558     95.480   167.147    85.787   12.127  6.1558  14.579  7.1462  -2.452383      9.431972 
1 1 1 -31 2   14 o 14.252  6.8814  122.187    71.826   89.548     97.898   160.240    105.706  12.572  6.3660  13.436  6.7841  -0.8639917     9.303219 
1 1 1 -31 2   15 o 14.008  6.6725  97.692     62.545   263.775    90.333   -55.2408   86.683   17.083  8.1029  ?       ?       0.000000       8.102922 
1 1 1 -31 2   16 o 10.826  5.4094  -1.8313    58.710   60.312     91.162   -45.8722   76.744   12.204  6.1756  ?       ?       0.000000       6.175626 
1 1 1 -31 2   17 o 14.285  6.8060  109.669    65.134   69.512     94.075   146.641    90.268   12.310  6.2340  13.791  6.8617  -1.481736      9.270731 
1 1 1 -31 2   18 o ?       ?       -93.0834   58.625   -4.1732    82.554   -183.5366  83.268   11.199  5.6886  ?       ?       0.000000       5.688612 
1 1 1 -31 2   19 o 12.564  6.3373  84.506     90.931   57.976     104.132  169.696    186.598  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   20 f ?       ?       -97.0637   93.258   -97.0637   93.258   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   21 o 11.591  5.8256  25.475     73.068   -8.4474    95.474   73.435     113.523  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   22 o 18.425  8.1618  218.234    72.322   282.168    100.482  149.515    104.175  16.096  7.8561  13.225  6.6835  2.871024       10.31448 
1 1 1 -31 2   23 o 12.577  6.2052  66.383     68.235   41.341     97.406   90.515     95.618   ?       ?       12.526  6.3370  0.000000       6.337041 
1 1 1 -31 2   24 o ?       ?       -100.4847  61.864   -145.1999  88.907   -58.5119   86.138   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   25 o ?       ?       36.268     110.980  -203.7480  244.775  98.374     124.513  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   26 o ?       ?       118.802    116.993  168.471    257.822  105.923    131.288  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   27 o ?       ?       18.350     113.029  -185.2888  252.630  69.316     126.384  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   28 o 13.873  6.7451  113.729    72.095   74.918     98.217   159.072    106.160  12.300  6.2435  13.329  6.7371  -1.028827      9.185313 
1 1 1 -31 2   29 o 10.429  5.2951  -38.5484   70.906   -156.0161  96.305   100.509    104.782  ?       ?       12.589  6.3961  0.000000       6.396100 
1 1 1 -31 2   30 o 15.510  7.3771  168.064    75.867   137.350    102.876  204.682    112.329  13.150  6.6455  13.822  6.9808  -0.6724072     9.638160 
1 1 1 -31 2   31 o 11.801  5.9062  34.919     71.278   -10.1080   94.635   93.950     108.356  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   32 o 15.159  7.2704  165.428    77.033   179.133    102.169  147.372    117.268  13.749  6.9075  ?       ?       0.000000       6.907470 
1 1 1 -31 2   33 o ?       ?       -115.2561  67.320   -123.6693  88.530   -103.7212  103.660  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   34 o ?       ?       -124.0558  59.136   -115.3198  76.510   -137.0187  93.199   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   35 o ?       ?       -0.6037    87.463   76.792     97.071   -334.5612  201.639  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   36 o 11.758  5.9539  68.200     85.647   40.915     93.993   201.686    207.897  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   37 o 10.930  5.4903  26.773     64.473   50.044     95.132   7.0041     87.681   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 2   38 o 10.694  5.3784  26.158     62.912   10.373     92.742   39.613     85.627   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   1  o ?       ?       163.889    117.150  346.352    188.020  48.102     149.777  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   2  o 13.484  6.4717  83.618     61.270   85.303     67.859   76.186     142.530  13.218  6.4527  ?       ?       0.000000       6.452694 
1 1 1 -31 3   3  o 12.211  5.8067  41.952     46.950   58.691     66.836   25.644     65.969   12.430  6.1345  11.575  5.7761  0.8553629      8.425843 
1 1 1 -31 3   4  o 10.843  5.2780  11.690     44.493   4.7551     62.758   18.697     63.088   11.039  5.5274  11.380  5.6739  -0.3408432     7.921184 
1 1 1 -31 3   5  o 9.0480  4.5999  -76.7788   54.835   -32.2482   69.461   -150.4341  89.333   10.471  5.3084  ?       ?       0.000000       5.308361 
1 1 1 -31 3   6  o 12.526  6.0826  55.850     58.133   40.590     84.570   69.519     80.041   11.877  6.0040  12.447  6.2337  -0.5703402     8.654885 
1 1 1 -31 3   7  o 12.454  6.2890  78.697     90.976   134.107    260.989  71.033     97.063   ?       ?       12.267  6.2248  0.000000       6.224792 
1 1 1 -31 3   8  o ?       ?       14.532     89.932   -169.6254  269.090  37.688     95.419   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   9  o ?       ?       -32.4623   80.309   -466.7095  184.520  69.018     89.200   ?       ?       12.334  6.2281  0.000000       6.228135 
1 1 1 -31 3   10 o 13.963  6.7080  103.983    66.168   158.900    92.461   46.335     94.732   13.924  6.9304  11.962  6.0780  1.961670       9.217994 
1 1 1 -31 3   11 o 15.727  7.3203  149.442    67.883   87.055     95.350   213.562    96.665   12.548  6.3462  14.872  7.3464  -2.323752      9.707924 
1 1 1 -31 3   12 o 11.831  5.8476  34.694     61.543   37.289     91.263   32.529     83.345   11.851  6.0161  11.779  5.9552  0.7224464E-01  8.465105 
1 1 1 -31 3   13 o 10.537  5.2799  -12.2037   57.751   -97.1145   89.672   47.976     75.491   ?       ?       12.091  6.0551  0.000000       6.055118 
1 1 1 -31 3   14 o ?       ?       -150.8117  54.709   -133.2151  83.038   -164.3083  72.724   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   15 o 10.609  5.3210  -11.0836   59.321   -13.7890   94.632   -9.3324    76.138   ?       ?       11.026  5.5864  0.000000       5.586420 
1 1 1 -31 3   16 o 9.2220  4.6794  -67.5945   54.790   -78.6698   84.069   -59.4171   72.239   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   17 o 11.312  5.6287  16.518     60.802   -25.8459   95.297   45.604     78.962   ?       ?       12.002  6.0348  0.000000       6.034817 
1 1 1 -31 3   18 o 13.090  6.5770  118.323    92.825   78.048     108.394  229.094    179.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   19 o 12.399  6.2668  76.785     91.817   91.535     107.060  35.770     178.530  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   20 f ?       ?       -38.1734   88.055   37.636     99.980   -300.3185  185.919  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   21 o 14.991  7.1708  151.331    73.822   203.611    108.150  105.723    101.015  13.891  6.9947  12.655  6.4140  1.236056       9.490281 
1 1 1 -31 3   22 o 14.927  7.1098  142.429    70.967   177.076    99.142   106.023    101.628  13.844  6.9341  12.633  6.4060  1.211727       9.440273 
1 1 1 -31 3   23 o 9.9109  5.0339  -53.9128   64.558   -95.1528   93.684   -16.6193   89.088   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   24 o 11.272  5.6821  11.250     72.456   -7.2517    96.584   35.065     109.578  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   25 o ?       ?       54.701     102.466  90.430     232.927  46.127     114.099  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   26 o ?       ?       -69.1407   105.514  443.282    241.790  -189.6777  117.269  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   27 o 11.819  5.9130  37.211     71.125   16.945     95.045   63.004     107.225  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   28 o 11.810  5.9018  35.541     69.937   31.621     94.689   40.247     103.741  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   29 o 13.355  6.5605  98.331     73.563   102.017    100.092  94.002     108.480  12.677  6.4212  ?       ?       0.000000       6.421163 
1 1 1 -31 3   30 o 10.821  5.4629  -11.2796   68.412   -47.0837   92.232   32.512     102.003  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   31 o 11.140  5.6131  4.9658     70.265   -87.3312   93.205   126.483    106.946  ?       ?       12.819  6.5077  0.000000       6.507689 
1 1 1 -31 3   32 o 15.020  7.2420  170.156    78.877   199.696    106.250  133.886    117.730  13.811  6.9516  ?       ?       0.000000       6.951634 
1 1 1 -31 3   33 o ?       ?       -61.5427   67.292   -125.1960  92.177   11.087     98.463   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   34 o 15.210  7.5179  277.728    101.757  173.796    113.504  703.303    229.681  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   35 o 11.215  5.6977  27.364     83.018   46.872     92.360   -54.7004   189.435  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   36 o ?       ?       -18.0079   86.545   45.209     97.307   -257.3100  189.322  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 3   37 o 10.730  5.4326  23.009     71.144   52.303     95.738   -13.1165   106.318  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   1  o 11.631  5.7903  27.907     64.667   25.694     70.775   39.096     159.129  11.602  5.8180  ?       ?       0.000000       5.817972 
1 1 1 -31 4   2  o 11.184  5.4969  16.749     51.841   -8.1295    81.670   33.538     67.089   11.105  5.6426  11.764  5.8629  -0.6585007     8.137105 
1 1 1 -31 4   3  o 9.0531  4.5502  -43.5791   44.614   -34.2854   63.000   -52.9279   63.187   10.218  5.1670  9.8900  5.0190  0.3282099      7.203361 
1 1 1 -31 4   4  o ?       ?       -166.2703  54.370   -248.2350  70.014   -41.7552   86.295   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   5  o 13.090  6.3955  82.011     67.061   33.373     91.468   138.545    98.613   11.742  5.9667  13.222  6.6606  -1.479642      8.942326 
1 1 1 -31 4   6  o 12.911  6.4868  106.187    90.176   -121.8057  231.382  147.018    97.918   ?       ?       13.390  6.7315  0.000000       6.731498 
1 1 1 -31 4   7  o 13.805  6.9313  180.231    102.098  283.705    276.430  163.886    109.867  ?       ?       13.266  6.7205  0.000000       6.720461 
1 1 1 -31 4   8  o 12.828  6.4365  96.864     87.312   283.404    281.176  76.957     91.853   ?       ?       12.398  6.2666  0.000000       6.266572 
1 1 1 -31 4   9  o 12.919  6.2991  72.499     64.112   34.056     89.630   112.774    91.741   11.771  5.9742  13.013  6.5383  -1.241330      8.856681 
1 1 1 -31 4   10 o 14.229  6.7796  108.595    64.643   138.373    85.913   69.739     98.140   13.769  6.8240  12.235  6.2135  1.534511       9.229023 
1 1 1 -31 4   11 o 10.743  5.3602  -2.0096    56.759   -35.9463   75.543   41.982     86.009   10.581  5.3813  11.903  6.0208  -1.321945      8.075171 
1 1 1 -31 4   12 o 9.1024  4.6040  -58.8648   50.277   57.234     67.228   -206.2071  75.735   12.385  6.1195  ?       ?       0.000000       6.119471 
1 1 1 -31 4   13 o 9.9027  4.9705  -28.6003   52.283   -66.0584   70.821   16.269     77.511   ?       ?       11.455  5.7870  0.000000       5.787045 
1 1 1 -31 4   14 o 11.692  5.7237  30.908     54.493   27.697     71.949   35.229     83.454   11.642  5.8419  11.796  5.9631  -0.1532793     8.347877 
1 1 1 -31 4   15 o 14.237  6.6844  97.285     58.665   48.014     79.451   156.352    86.991   12.029  6.0492  14.135  6.9801  -2.106363      9.236654 
1 1 1 -31 4   16 o 12.366  5.9984  50.405     56.135   71.698     76.222   25.170     82.980   12.558  6.2573  11.620  5.8816  0.9376497      8.587655 
1 1 1 -31 4   17 o 15.018  7.3290  191.956    87.338   242.595    98.184   -0.0106    191.166  15.341  7.5449  ?       ?       0.000000       7.544887 
1 1 1 -31 4   18 o 13.825  6.8153  133.161    81.724   142.296    89.456   87.072     200.943  13.643  6.7947  ?       ?       0.000000       6.794695 
1 1 1 -31 4   19 o 11.544  5.8123  24.230     74.530   -28.7088   81.842   281.426    180.393  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   20 o 18.852  8.2107  218.259    70.406   305.272    99.623   131.436    99.515   16.780  8.1027  13.046  6.5866  3.734474       10.44206 
1 1 1 -31 4   21 o 15.016  7.2213  163.091    77.169   128.324    108.767  198.330    109.505  12.765  6.4886  13.701  6.9164  -0.9358187     9.483582 
1 1 1 -31 4   22 o 12.276  6.1448  62.670     77.295   73.006     116.684  54.588     103.180  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   23 o ?       ?       -82.0987   63.851   -171.4445  95.986   -11.1806   85.517   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   24 o ?       ?       -111.6474  86.329   -114.0895  232.032  -111.2550  93.006   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   25 o 12.792  6.5049  132.595    110.118  207.350    255.113  115.478    122.076  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   26 o 13.350  6.5543  100.683    73.082   96.025     99.984   106.026    107.088  12.508  6.3441  ?       ?       0.000000       6.344113 
1 1 1 -31 4   27 o 12.190  6.0807  54.330     72.852   -27.4343   98.426   153.405    108.345  ?       ?       13.144  6.6599  0.000000       6.659949 
1 1 1 -31 4   28 o ?       ?       257.065    142.644  414.188    327.229  220.203    158.496  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   29 o ?       ?       -61.2382   66.857   70.140     91.724   -210.1530  97.654   12.291  6.2170  ?       ?       0.000000       6.216980 
1 1 1 -31 4   30 o 10.983  5.5614  -7.2205    74.727   18.798     94.994   -49.4597   121.036  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   31 o 12.118  6.0453  53.678     72.021   45.952     100.074  61.978     103.730  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   32 o 12.441  6.1960  73.243     74.345   110.352    103.382  33.499     106.991  12.492  6.3474  ?       ?       0.000000       6.347414 
1 1 1 -31 4   33 o ?       ?       -62.2740   68.537   87.512     93.435   -236.7499  100.842  12.214  6.1882  ?       ?       0.000000       6.188199 
1 1 1 -31 4   34 o ?       ?       -65.9348   80.717   -83.4271   87.931   27.741     203.486  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   35 o ?       ?       -94.7682   78.792   -104.7440  85.479   -38.3895   203.209  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 4   36 o 13.487  6.6217  148.640    74.596   86.231     98.123   234.100    114.823  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   1  o 11.178  5.5282  15.294     55.300   -1.9212    83.883   28.527     73.545   11.209  5.6977  11.645  5.8514  -0.4354620     8.167119 
1 1 1 -31 5   2  o 9.7514  4.8574  -20.8298   45.792   -36.8129   66.236   -6.1967    63.377   10.275  5.2063  10.785  5.4210  -0.5102501     7.516129 
1 1 1 -31 5   3  o 10.014  4.9699  -12.7334   46.191   2.5786     71.417   -23.7454   60.565   11.102  5.6022  10.324  5.2033  0.7781754      7.645845 
1 1 1 -31 5   4  o 13.728  6.5848  95.178     63.229   93.953     84.922   96.702     94.715   12.784  6.4052  12.617  6.3762  0.1670027      9.037868 
1 1 1 -31 5   5  o ?       ?       7.8221     102.516  -138.5139  207.208  55.252     117.966  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   6  o 18.381  8.8824  483.001    120.296  741.651    272.225  420.237    134.100  ?       ?       15.500  7.8031  0.000000       7.803118 
1 1 1 -31 5   7  o 12.152  6.1011  56.367     79.018   -157.7047  272.266  76.056     82.571   ?       ?       12.489  6.2656  0.000000       6.265638 
1 1 1 -31 5   8  o 9.9898  5.0047  -23.1334   51.778   42.711     67.181   -119.4749  81.263   11.956  5.9438  ?       ?       0.000000       5.943837 
1 1 1 -31 5   9  o 10.171  5.1018  -20.9276   54.639   0.2476     69.920   -54.1391   87.565   11.041  5.5679  ?       ?       0.000000       5.567884 
1 1 1 -31 5   10 o 9.5283  4.8097  -45.5699   52.929   -42.5726   68.291   -50.0791   83.763   10.245  5.2012  ?       ?       0.000000       5.201163 
1 1 1 -31 5   11 o 10.273  5.1447  -16.6686   54.493   -25.6722   69.575   -2.3798    87.647   10.568  5.3530  ?       ?       0.000000       5.352962 
1 1 1 -31 5   12 o 9.2637  4.6858  -55.9925   52.127   -55.6169   68.421   -56.5121   80.475   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   13 o 9.7191  4.9050  -41.4280   54.869   -10.0083   74.115   -79.5326   81.619   10.933  5.5366  ?       ?       0.000000       5.536553 
1 1 1 -31 5   14 o ?       ?       -93.5313   51.313   -154.9142  67.362   -8.6722    79.203   ?       ?       11.035  5.6020  0.000000       5.602022 
1 1 1 -31 5   15 o 10.728  5.3450  -0.0940    55.534   29.519     71.904   -43.8739   87.427   11.641  5.8411  ?       ?       0.000000       5.841083 
1 1 1 -31 5   16 o 12.582  6.2700  75.018     76.606   95.506     83.456   -34.6300   193.069  12.856  6.4275  ?       ?       0.000000       6.427526 
1 1 1 -31 5   17 o ?       ?       -62.9052   67.445   -90.2410   73.271   88.764     172.589  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   18 o 12.278  6.1462  62.758     77.420   86.585     84.130   -68.9991   197.833  12.636  6.3374  ?       ?       0.000000       6.337417 
1 1 1 -31 5   19 o 13.745  6.5684  93.866     61.633   70.073     83.434   122.445    91.440   12.322  6.1968  13.101  6.5756  -0.7793779     9.035444 
1 1 1 -31 5   20 f 13.545  6.6403  110.901    74.174   209.359    119.314  48.880     94.696   13.445  6.8303  11.882  6.0408  1.563279       9.118380 
1 1 1 -31 5   21 o 11.534  5.8118  26.184     75.361   -11.6670   113.978  55.585     100.452  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   22 o 11.792  5.9143  39.408     73.330   110.682    111.316  -15.2355   97.467   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   23 o ?       ?       77.339     117.234  0.0000     0.0000   77.339     117.234  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   24 o 13.497  6.8404  201.023    114.669  101.082    260.104  225.133    127.754  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   25 o 13.702  6.7089  117.652    74.999   6.5857     108.529  219.172    103.760  ?       ?       14.302  7.1529  0.000000       7.152868 
1 1 1 -31 5   26 o 12.115  6.0590  53.319     74.391   163.358    107.598  -47.4481   102.965  13.259  6.7097  ?       ?       0.000000       6.709666 
1 1 1 -31 5   27 o 10.464  5.3179  -37.2002   72.872   -115.0475  103.516  39.283     102.605  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   28 o 15.116  7.2766  169.539    78.850   9.4500     113.301  319.896    109.803  ?       ?       15.941  7.8661  0.000000       7.866110 
1 1 1 -31 5   29 o 11.546  5.8173  25.212     75.330   -86.2093   104.946  143.638    108.194  ?       ?       12.979  6.5844  0.000000       6.584417 
1 1 1 -31 5   30 o 12.582  6.2930  81.911     80.372   171.044    108.881  -24.8016   119.135  13.269  6.7184  ?       ?       0.000000       6.718420 
1 1 1 -31 5   31 o 11.635  5.8522  35.748     74.541   25.874     102.087  47.025     109.096  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   32 o ?       ?       -80.6117   68.910   -11.0470   94.413   -159.9201  100.808  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   33 o ?       ?       -18.3759   85.827   -7.6652    93.754   -73.7991   213.268  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   34 o 12.579  6.3543  135.255    93.343   115.476    102.645  229.774    224.386  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   35 o ?       ?       -107.7133  63.030   -143.1153  82.428   -57.8676   97.808   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 5   36 o ?       ?       -18.2141   70.495   34.655     96.316   -79.2136   103.457  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   1  f 14.005  6.5187  85.483     53.826   96.478     71.260   70.875     82.138   13.316  6.5243  12.386  6.2186  0.9306850      9.013206 
1 1 1 -31 6   2  o 11.506  5.5390  27.866     45.702   -10.0760   67.169   60.574     62.364   10.767  5.4330  12.515  6.1255  -1.747559      8.187710 
1 1 1 -31 6   3  o 11.092  5.4051  17.861     47.005   -7.1805    69.183   39.332     64.061   10.857  5.4825  11.852  5.8771  -0.9953556     8.037286 
1 1 1 -31 6   4  o ?       ?       -29.6843   100.583  45.299     209.895  -52.0363   114.599  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   5  o ?       ?       76.341     103.633  -66.0057   212.051  121.008    118.785  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   6  o 14.416  7.0757  167.153    85.012   -11.9300   238.133  193.310    91.009   ?       ?       14.628  7.2074  0.000000       7.207385 
1 1 1 -31 6   7  o 12.766  6.1718  64.557     58.233   79.580     79.076   46.756     86.075   12.591  6.2895  11.895  6.0174  0.6961679      8.704434 
1 1 1 -31 6   8  o 11.098  5.5027  13.675     56.095   49.151     72.449   -39.4259   88.638   12.032  6.0115  ?       ?       0.000000       6.011489 
1 1 1 -31 6   9  o 10.780  5.3927  -0.6697    59.109   -75.3640   76.830   107.663    92.527   ?       ?       12.814  6.4548  0.000000       6.454786 
1 1 1 -31 6   10 o 9.7963  4.9286  -32.8960   53.064   8.6202     67.294   -101.1491  86.284   11.141  5.5981  ?       ?       0.000000       5.598132 
1 1 1 -31 6   11 o 9.3672  4.7408  -54.9160   53.848   -78.5279   68.117   -15.5721   87.928   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   12 o 10.805  5.3829  2.8190     56.324   -42.0466   74.917   61.146     85.420   ?       ?       12.146  6.1284  0.000000       6.128427 
1 1 1 -31 6   13 o 9.8880  4.9744  -30.7944   54.011   -120.2825  71.794   85.889     81.981   ?       ?       12.663  6.3371  0.000000       6.337063 
1 1 1 -31 6   14 o 10.676  5.3359  -2.9022    57.298   3.4936     76.761   -10.9501   86.106   11.159  5.6492  ?       ?       0.000000       5.649181 
1 1 1 -31 6   15 o 12.486  6.2381  73.936     77.966   53.656     84.662   187.129    200.017  12.010  6.0647  ?       ?       0.000000       6.064737 
1 1 1 -31 6   16 o 10.347  5.2549  -37.3587   70.200   -22.2345   75.455   -134.7212  191.447  10.715  5.4422  ?       ?       0.000000       5.442213 
1 1 1 -31 6   17 o 11.594  5.8508  29.497     78.010   16.141     84.678   104.419    200.558  11.404  5.7896  ?       ?       0.000000       5.789588 
1 1 1 -31 6   18 o 11.325  5.6156  21.701     58.444   28.133     79.075   13.957     86.763   11.562  5.8416  11.376  5.7835  0.1866426      8.220232 
1 1 1 -31 6   19 o 16.682  7.8346  222.724    80.669   201.771    124.776  237.772    105.740  ?       ?       14.454  7.2277  0.000000       7.227703 
1 1 1 -31 6   20 o 11.449  5.7561  24.008     71.684   57.306     118.519  4.7999     90.014   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   21 o 11.266  5.6677  15.641     70.111   -100.2716  116.637  81.218     87.730   ?       ?       12.393  6.2478  0.000000       6.247814 
1 1 1 -31 6   22 o ?       ?       -2.3830    97.215   45.103     282.178  -8.7782    103.554  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   23 o 12.873  6.5288  137.705    105.813  532.433    250.576  52.042     116.732  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   24 o ?       ?       -8.9370    105.112  0.0000     0.0000   -8.9370    105.112  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   25 o 14.396  7.0082  149.697    78.474   119.529    114.651  176.287    107.638  ?       ?       13.392  6.7704  0.000000       6.770414 
1 1 1 -31 6   26 o 11.937  5.9799  45.270     73.856   30.815     108.288  57.842     100.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   27 o 12.611  6.2819  77.285     76.583   126.238    110.378  31.843     106.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   28 o 11.382  5.7327  18.659     72.809   22.028     105.942  15.644     100.229  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   29 o 11.820  5.9278  42.033     73.595   -74.1553   107.093  146.006    101.307  ?       ?       13.117  6.6253  0.000000       6.625318 
1 1 1 -31 6   30 o 12.415  6.2232  79.170     80.561   47.856     113.777  110.652    114.084  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   31 o ?       ?       -115.3025  73.236   -95.2798   105.187  -134.1407  102.028  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   32 o 13.815  7.0152  301.881    124.784  281.129    136.994  402.973    302.362  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   33 o ?       ?       -62.3969   96.934   -41.9900   105.912  -167.6851  240.574  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   34 o 10.916  5.5341  26.081     75.501   -9.7691    105.660  63.485     107.925  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 6   35 o ?       ?       -82.2319   68.237   -28.8508   91.945   -147.6855  101.812  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   1  o 14.953  6.9668  121.267    61.723   95.023     79.166   161.952    98.569   12.921  6.4281  13.527  6.7944  -0.6064148     9.353325 
1 1 1 -31 7   2  o 18.737  7.8593  177.354    60.264   186.378    93.771   171.003    78.658   14.239  7.0692  15.064  7.2555  -0.8247375     10.12999 
1 1 1 -31 7   3  f 15.408  7.4251  194.871    82.624   169.045    242.798  198.253    87.868   ?       ?       14.971  7.3156  0.000000       7.315648 
1 1 1 -31 7   4  o ?       ?       -7.1521    98.171   108.234    201.036  -43.2829   112.496  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   5  o 12.201  6.1810  73.241     92.955   -339.8017  217.750  165.285    102.792  ?       ?       13.370  6.7432  0.000000       6.743218 
1 1 1 -31 7   6  o 13.790  6.5747  95.410     61.006   195.593    80.280   -41.5079   93.851   15.689  7.4973  ?       ?       0.000000       7.497275 
1 1 1 -31 7   7  o 9.8921  4.9930  -35.3683   56.967   -62.4857   78.716   -5.5459    82.548   ?       ?       11.053  5.6216  0.000000       5.621593 
1 1 1 -31 7   8  o 11.791  5.8286  38.154     61.206   -21.6739   83.226   108.626    90.326   ?       ?       12.828  6.4508  0.000000       6.450755 
1 1 1 -31 7   9  o 11.167  5.5668  15.143     60.614   -18.0213   82.010   55.072     89.987   ?       ?       11.962  6.0622  0.000000       6.062181 
1 1 1 -31 7   10 o 12.845  6.2578  72.909     62.899   193.116    83.628   -83.6640   95.443   15.233  7.3724  ?       ?       0.000000       7.372355 
1 1 1 -31 7   11 o 10.234  5.1516  -22.1533   58.426   -25.3808   79.541   -18.3716   86.100   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   12 o ?       ?       -78.3262   57.749   -123.0034  78.030   -24.2180   85.871   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   13 f 11.354  5.6541  22.224     61.843   46.636     86.130   -3.7556    88.853   11.847  5.9958  ?       ?       0.000000       5.995831 
1 1 1 -31 7   14 o ?       ?       -73.5251   75.138   -92.6305   82.067   25.490     186.828  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   15 o ?       ?       -23.1604   78.488   -44.1742   85.856   83.737     193.644  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   16 o 13.043  6.5336  118.362    88.183   116.289    97.054   128.174    211.131  12.751  6.4449  ?       ?       0.000000       6.444875 
1 1 1 -31 7   17 o 12.113  5.9377  49.042     59.248   13.724     78.764   95.070     89.917   11.281  5.7120  12.560  6.3312  -1.278758      8.527077 
1 1 1 -31 7   18 o 10.471  5.3026  -23.4763   68.033   47.235     108.814  -68.8562   87.171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   19 o 11.830  5.9205  43.895     71.581   -11.1430   111.905  82.010     93.124   ?       ?       12.281  6.2177  0.000000       6.217677 
1 1 1 -31 7   20 o 12.635  6.2511  76.946     70.943   -50.7699   118.371  148.535    88.623   ?       ?       13.610  6.7758  0.000000       6.775846 
1 1 1 -31 7   21 o 13.007  6.5765  143.786    101.882  139.297    315.517  144.309    107.648  ?       ?       12.857  6.5272  0.000000       6.527230 
1 1 1 -31 7   22 o 15.174  7.6291  372.246    125.939  535.343    340.384  346.378    135.559  ?       ?       14.248  7.2422  0.000000       7.242244 
1 1 1 -31 7   23 o ?       ?       -0.1685    102.959  -171.8697  289.185  24.756     110.179  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   24 o 10.791  5.4656  -11.5396   72.433   -65.3398   106.819  34.255     98.552   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   25 o 11.749  5.9440  39.530     84.122   24.961     131.826  49.537     109.260  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   26 o 71.233  8.6016  1630.39    145.659  1561.58    203.053  1703.33    209.064  22.677  11.090  23.673  11.505  -0.9960041     15.97925 
1 1 1 -31 7   27 o ?       ?       -75.6053   69.156   -89.7839   102.410  -63.7194   93.765   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   28 o 11.926  5.9820  49.228     75.066   43.764     109.850  54.014     102.816  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   29 o 10.800  5.4788  -9.6889    74.814   77.699     112.188  -79.6731   100.397  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   30 o ?       ?       -30.6082   75.234   -7.8079    108.589  -51.6553   104.331  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   31 o ?       ?       125.073    108.583  143.590    116.844  7.8346     294.003  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   32 o ?       ?       -26.8810   106.399  -29.6607   116.741  -13.2441   258.571  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   33 o ?       ?       142.816    114.355  142.906    126.117  142.400    271.174  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 7   34 o 11.823  5.9699  98.342     81.878   103.905    108.826  91.084     124.296  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   1  o 9.9733  5.0216  -28.6761   55.662   -34.4089   74.623   -21.4858   83.572   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   2  o 15.506  7.5181  219.056    87.915   364.864    241.620  196.807    94.384   ?       ?       14.355  7.1209  0.000000       7.120938 
1 1 1 -31 8   3  o 12.739  6.3146  83.784     73.705   19.286     239.430  90.535     77.467   ?       ?       12.786  6.3605  0.000000       6.360528 
1 1 1 -31 8   4  o 10.011  5.0624  -35.3867   60.479   -93.7890   78.495   49.927     94.872   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   5  o 14.239  6.8587  127.919    70.320   169.308    92.106   70.080     108.881  13.863  6.9029  ?       ?       0.000000       6.902912 
1 1 1 -31 8   6  o 17.109  7.7875  196.005    71.014   212.772    96.378   176.090    105.038  14.515  7.1997  13.380  6.7568  1.134918       9.873713 
1 1 1 -31 8   7  o 23.789  9.2457  323.105    76.561   286.039    107.994  360.557    108.555  15.107  7.5145  16.710  8.1583  -1.603378      11.09168 
1 1 1 -31 8   8  o 16.425  7.5868  181.839    70.824   104.334    98.980   263.155    101.384  12.500  6.3371  15.214  7.5169  -2.713921      9.831727 
1 1 1 -31 8   9  o 11.800  5.8632  41.102     65.046   1.7617     90.061   84.002     94.046   ?       ?       12.290  6.2251  0.000000       6.225094 
1 1 1 -31 8   10 o 12.680  6.2092  71.338     64.311   57.711     88.371   86.679     93.766   11.957  6.0537  12.334  6.2438  -0.3773508     8.696715 
1 1 1 -31 8   11 o 11.210  5.6103  17.194     64.296   13.909     86.446   21.261     96.188   11.317  5.7554  ?       ?       0.000000       5.755352 
1 1 1 -31 8   12 o 18.967  8.3760  249.614    75.598   406.642    101.701  55.702     113.016  19.462  9.0252  ?       ?       0.000000       9.025159 
1 1 1 -31 8   13 o 11.668  5.9118  38.682     85.275   43.446     94.309   17.328     199.668  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   14 o ?       ?       -30.6311   81.213   -14.5933   89.308   -107.2624  195.219  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   15 o 13.591  6.8038  165.058    94.940   110.295    107.268  363.067    203.972  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   16 o 44.528  9.0393  678.567    94.327   686.421    133.470  670.730    133.326  20.555  9.7792  20.147  9.6368  0.4087811      13.72950 
1 1 1 -31 8   17 o 14.161  6.8578  132.846    72.614   17.415     101.532  253.704    103.891  ?       ?       14.734  7.3356  0.000000       7.335630 
1 1 1 -31 8   18 o 13.399  6.4875  95.081     64.911   -57.8787   95.613   225.854    88.407   ?       ?       15.515  7.5265  0.000000       7.526509 
1 1 1 -31 8   19 o 14.271  6.8654  129.622    69.906   10.354     105.670  222.441    93.221   ?       ?       14.927  7.3432  0.000000       7.343169 
1 1 1 -31 8   20 o 12.679  6.4225  122.448    100.294  195.017    308.771  113.888    106.045  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   21 o 12.816  6.4898  133.964    101.832  114.168    317.128  136.240    107.526  ?       ?       12.708  6.4587  0.000000       6.458735 
1 1 1 -31 8   22 o 12.785  6.4609  123.414    97.202   -329.8426  335.469  164.954    101.558  ?       ?       13.295  6.7053  0.000000       6.705343 
1 1 1 -31 8   23 o 10.261  5.2062  -34.3709   67.735   -34.8466   108.986  -34.0715   86.462   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   24 o 11.543  5.8330  29.747     79.090   65.053     126.271  6.9527     101.458  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   25 o 19.134  8.7751  340.080    92.410   577.976    132.622  115.574    128.835  18.190  8.9096  ?       ?       0.000000       8.909594 
1 1 1 -31 8   26 o 11.817  5.9488  45.278     77.950   23.871     113.535  64.367     107.212  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   27 o 10.972  5.5614  -1.0332    75.941   56.049     110.262  -52.5448   104.743  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   28 o 12.439  6.2181  81.058     77.988   43.233     115.945  112.312    105.393  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   29 o 11.339  5.7294  28.069     76.157   18.073     112.649  36.482     103.356  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   30 o 12.413  6.2088  90.957     78.284   35.648     115.155  138.482    106.744  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   31 o ?       ?       -12.4567   108.538  25.043     119.265  -193.2443  261.867  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   32 o ?       ?       4.5672     101.727  31.157     108.537  -187.5820  291.768  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   33 o 11.332  5.7344  65.205     78.539   49.641     115.448  78.613     107.157  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 8   34 o 10.841  5.4969  47.704     74.668   -6.7151    104.949  103.487    106.256  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   1  o 14.842  7.1679  166.952    78.055   50.557     247.837  179.769    82.240   ?       ?       14.837  7.2117  0.000000       7.211739 
1 1 1 -31 9   2  f 12.982  6.4117  94.411     73.492   57.789     226.214  98.733     77.707   ?       ?       12.930  6.4221  0.000000       6.422136 
1 1 1 -31 9   3  o 9.8077  4.9238  -25.8708   51.436   -10.3483   82.208   -35.8566   65.936   ?       ?       10.165  5.1554  0.000000       5.155382 
1 1 1 -31 9   4  o 10.020  5.0786  -38.8574   63.318   -48.1126   81.315   -24.6027   100.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   5  o 11.775  5.9030  44.192     72.607   51.018     88.338   29.978     127.472  11.804  5.9845  ?       ?       0.000000       5.984502 
1 1 1 -31 9   6  o 12.241  6.0614  61.027     67.261   43.618     88.873   84.369     102.906  11.689  5.9342  ?       ?       0.000000       5.934201 
1 1 1 -31 9   7  o 63.826  7.7347  1168.69    117.340  1160.49    316.324  1170.00    126.355  ?       ?       56.374  9.5802  0.000000       9.580202 
1 1 1 -31 9   8  o 13.438  6.5704  108.311    71.196   133.290    91.922   70.858     112.557  13.076  6.5669  ?       ?       0.000000       6.566948 
1 1 1 -31 9   9  o 11.662  5.8078  38.011     65.322   80.697     92.710   -4.0721    92.053   12.191  6.1755  ?       ?       0.000000       6.175504 
1 1 1 -31 9   10 o 11.048  5.5343  12.843     63.246   44.869     86.760   -23.4749   92.392   11.706  5.9343  ?       ?       0.000000       5.934268 
1 1 1 -31 9   11 o 12.014  5.9726  53.183     67.820   93.803     90.495   1.1365     102.436  12.427  6.2748  ?       ?       0.000000       6.274841 
1 1 1 -31 9   12 o ?       ?       40.671     91.981   40.318     101.160  42.357     220.992  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   13 o 15.269  7.5903  308.427    109.479  276.984    124.042  419.245    232.871  13.833  7.0215  ?       ?       0.000000       7.021529 
1 1 1 -31 9   14 f 12.483  6.3041  99.670     91.585   64.163     102.766  236.728    201.903  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   15 o 12.405  6.1274  68.146     67.206   14.309     91.787   130.365    98.674   ?       ?       12.784  6.4647  0.000000       6.464657 
1 1 1 -31 9   16 o 17.173  7.9035  221.223    75.867   285.367    108.259  159.321    106.351  14.900  7.4295  12.970  6.5746  1.929968       9.920805 
1 1 1 -31 9   17 o 16.260  7.6085  197.526    74.920   126.315    103.504  275.899    108.584  12.598  6.3963  14.694  7.3442  -2.095647      9.739049 
1 1 1 -31 9   18 o 11.481  5.7494  31.768     68.019   -7.7341    98.138   68.287     94.359   ?       ?       11.962  6.0765  0.000000       6.076530 
1 1 1 -31 9   19 o ?       ?       -1.3825    87.631   18.135     291.637  -3.3195    91.877   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   20 o 12.077  6.1352  77.394     96.228   55.254     324.328  79.531     100.766  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   21 o 12.791  6.4911  143.711    105.624  430.799    321.224  108.908    111.843  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   22 o 18.617  8.4375  279.204    82.233   239.067    125.066  309.772    109.143  ?       ?       15.353  7.6229  0.000000       7.622907 
1 1 1 -31 9   23 o 12.805  6.3249  85.953     71.589   105.813    107.882  70.327     95.693   ?       ?       12.033  6.1135  0.000000       6.113485 
1 1 1 -31 9   24 o 13.507  6.6264  115.370    74.256   104.242    111.374  124.275    99.632   ?       ?       12.732  6.4443  0.000000       6.444309 
1 1 1 -31 9   25 o ?       ?       -75.3485   67.350   -132.7471  105.973  -36.4557   87.232   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   26 o 11.166  5.6420  14.282     73.878   -41.0306   108.963  61.343     100.507  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   27 o 11.617  5.8563  41.724     76.996   -38.5554   114.821  107.320    103.791  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   28 o 12.251  6.1229  76.484     75.393   24.707     108.003  125.696    105.293  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   29 o 10.699  5.4373  -3.2519    76.083   54.136     113.135  -50.6347   102.801  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   30 o ?       ?       14.682     112.278  -25.3291   123.573  204.024    268.817  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   31 o ?       ?       173.495    119.674  189.195    132.160  101.985    282.046  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   32 o ?       ?       -128.1304  67.930   -117.4048  96.702   -138.5787  95.444   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 9   33 o ?       ?       -5.5276    76.461   31.209     111.936  -37.6624   104.691  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  1  o 9.8119  4.9704  -42.8282   60.084   -0.0088    228.869  -45.9977   62.268   ?       ?       9.8427  4.9937  0.000000       4.993679 
1 1 1 -31 10  2  o 9.6039  4.8258  -30.3861   50.014   -33.2049   84.881   -28.8871   61.900   ?       ?       10.131  5.1229  0.000000       5.122937 
1 1 1 -31 10  3  o 11.947  5.8160  44.717     54.054   -53.5278   86.461   107.754    69.257   ?       ?       13.495  6.5726  0.000000       6.572626 
1 1 1 -31 10  4  o 10.748  5.4231  -2.4818    66.850   -23.0243   86.589   27.830     105.183  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  5  o ?       ?       -32.3170   74.271   -79.4206   91.852   56.648     126.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  6  o 11.687  5.8681  43.084     73.170   13.896     89.780   100.818    126.270  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  7  o 11.910  5.9192  50.385     66.431   50.292     93.232   50.480     94.681   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  8  o 15.989  7.4936  186.210    73.164   165.996    100.633  208.874    106.559  13.219  6.6679  13.636  6.8762  -0.4171047     9.578221 
1 1 1 -31 10  9  o 15.603  7.3834  180.623    74.141   75.984     101.527  300.189    108.527  ?       ?       15.095  7.5126  0.000000       7.512562 
1 1 1 -31 10  10 o 15.007  7.1260  153.398    70.230   109.746    95.900   203.883    103.134  12.490  6.3220  13.716  6.8967  -1.225411      9.355844 
1 1 1 -31 10  11 o 12.483  6.3025  102.747    91.164   165.204    100.764  -178.9851  214.011  13.188  6.6545  ?       ?       0.000000       6.654511 
1 1 1 -31 10  12 o 12.034  6.1008  74.628     91.773   89.698     100.115  -4.6562    229.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  13 o 14.146  7.0883  233.239    104.133  162.702    114.819  560.152    247.184  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  14 o 9.9805  5.0547  -34.8355   61.909   6.1320     85.968   -78.9677   89.227   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  15 o 9.5404  4.8386  -50.4338   58.099   -146.0165  81.011   50.792     83.368   ?       ?       11.734  5.9344  0.000000       5.934415 
1 1 1 -31 10  16 o 10.826  5.4331  6.4606     62.381   -49.5419   85.816   69.208     90.837   ?       ?       11.951  6.0602  0.000000       6.060188 
1 1 1 -31 10  17 o ?       ?       -96.0490   63.545   -51.4452   98.470   -127.8787  83.183   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  18 o 12.204  6.2023  95.069     99.126   -36.1998   243.969  121.025    108.485  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  19 o ?       ?       105.506    114.081  0.0000     0.0000   105.506    114.081  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  20 o ?       ?       136.713    108.138  322.589    311.672  111.275    115.301  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  21 f ?       ?       -62.6893   63.581   -29.5194   99.192   -85.8230   82.837   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  22 f 11.998  5.9910  55.817     71.466   271.661    107.822  -113.3109  95.443   14.667  7.3290  ?       ?       0.000000       7.328958 
1 1 1 -31 10  23 o 11.709  5.8806  43.363     73.768   157.852    108.864  -53.8364   100.308  12.872  6.5379  ?       ?       0.000000       6.537887 
1 1 1 -31 10  24 o 10.226  5.1787  -27.7875   64.961   -60.0120   100.223  -4.4410    85.307   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  25 o 13.706  6.6945  125.343    73.319   78.276     109.138  164.057    98.981   ?       ?       13.221  6.6619  0.000000       6.661933 
1 1 1 -31 10  26 o 11.335  5.7164  29.283     73.786   88.214     100.772  -38.8250   108.335  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  27 f 15.297  7.3582  202.893    80.253   233.114    114.731  173.938    112.299  13.365  6.7807  ?       ?       0.000000       6.780680 
1 1 1 -31 10  28 o 10.530  5.3305  -4.0871    68.257   -71.7875   104.927  45.579     89.871   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  29 o ?       ?       -52.5295   110.864  -114.6529  121.409  259.211    271.968  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  30 o ?       ?       -12.7179   113.140  -1.0275    122.440  -81.0196   295.956  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  31 o 11.350  5.7477  71.110     79.908   26.620     118.210  108.548    108.436  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 10  32 o ?       ?       31.837     77.467   -35.4001   113.870  89.767     105.697  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  1  o 13.311  6.3699  84.782     58.401   109.876    97.183   70.598     73.066   12.472  6.3184  12.284  6.1217  0.1882887      8.797557 
1 1 1 -31 11  2  o 10.836  5.3726  12.419     53.457   -89.5742   90.828   66.473     66.122   ?       ?       12.323  6.0853  0.000000       6.085287 
1 1 1 -31 11  3  o 9.6217  4.8470  -32.6700   52.206   -33.9681   92.281   -32.0589   63.312   ?       ?       10.076  5.1038  0.000000       5.103761 
1 1 1 -31 11  4  o 12.559  6.2266  82.437     71.798   18.209     95.810   164.704    108.434  ?       ?       12.880  6.5403  0.000000       6.540287 
1 1 1 -31 11  5  o 13.572  6.6701  128.911    76.290   40.143     100.689  248.561    116.898  ?       ?       13.640  6.9122  0.000000       6.912171 
1 1 1 -31 11  6  o 11.635  5.8108  41.868     67.348   47.730     95.764   36.132     94.735   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  7  o ?       ?       -153.0363  58.639   -165.3521  81.534   -139.8412  84.395   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  8  o ?       ?       -95.8832   60.191   -173.9109  86.291   -21.9447   84.000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  9  o 11.801  5.9085  51.507     71.660   77.412     97.352   20.870     105.869  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  10 o ?       ?       12.167     97.817   82.901     108.628  -291.0880  224.921  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  11 o ?       ?       23.884     94.020   88.136     103.239  -288.4156  227.606  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  12 o 12.175  6.1922  99.098     100.061  139.174    110.213  -88.8720   238.687  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  13 o 10.968  5.5435  9.9555     71.775   11.684     93.113   7.4253     112.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  14 o 12.919  6.3595  95.652     70.323   82.089     94.609   112.399    105.124  12.023  6.1055  ?       ?       0.000000       6.105540 
1 1 1 -31 11  15 o 14.249  6.8795  141.297    71.767   151.236    101.116  131.209    101.877  12.855  6.5052  12.552  6.3704  0.3031263      9.104877 
1 1 1 -31 11  16 o 12.673  6.2578  86.216     69.902   99.097     101.781  74.715     96.170   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  17 o 12.595  6.3892  133.098    101.668  69.559     244.847  146.335    111.758  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  18 o ?       ?       127.797    107.971  -39.3300   250.885  165.786    119.615  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  19 o ?       ?       -53.9876   93.962   345.944    243.167  -124.1835  101.875  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  20 o ?       ?       -132.9537  67.478   -65.0649   94.408   -203.8559  96.481   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  21 o 11.238  5.6544  22.860     69.902   56.983     106.334  -3.1099    92.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  22 o 13.142  6.4869  109.470    74.858   276.012    112.582  -22.5142   100.223  14.290  7.1882  ?       ?       0.000000       7.188157 
1 1 1 -31 11  23 o 10.688  5.4015  -3.4687    67.949   -17.1666   103.871  6.7780     89.839   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  24 o 12.888  6.3726  99.918     73.383   122.215    109.632  81.820     98.773   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  25 o 11.061  5.6045  16.537     76.668   96.691     110.070  -59.0011   106.853  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  26 o ?       ?       -97.7797   68.457   -119.7848  95.194   -74.2125   98.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  27 o 10.374  5.2764  -15.0644   72.706   -2.6936    99.108   -29.4802   106.986  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  28 o ?       ?       -59.6432   95.902   -29.9543   106.056  -192.7885  224.596  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  29 o ?       ?       215.113    110.673  158.781    123.673  441.586    247.975  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  30 o 10.629  5.3743  26.529     67.979   57.201     97.316   -2.6992    94.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 11  31 o 10.693  5.4306  43.590     74.964   -52.4051   106.178  139.001    105.854  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  1  o 12.079  5.9012  52.714     57.061   61.010     98.218   48.488     70.106   ?       ?       11.758  5.8803  0.000000       5.880348 
1 1 1 -31 12  2  f 14.353  6.7547  115.181    60.513   -31.3148   100.993  197.231    75.582   ?       ?       15.905  7.5047  0.000000       7.504715 
1 1 1 -31 12  3  o 9.6864  4.8902  -33.3444   54.813   -42.2974   96.521   -29.0826   66.593   ?       ?       10.179  5.1644  0.000000       5.164365 
1 1 1 -31 12  4  o ?       ?       -153.9810  65.166   -173.1595  84.054   -125.0835  103.176  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  5  o ?       ?       -17.2145   75.906   -37.9325   92.971   24.207     131.458  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  6  o 12.587  6.2083  82.344     68.128   10.371     100.247  144.113    92.869   ?       ?       12.982  6.5300  0.000000       6.530046 
1 1 1 -31 12  7  o ?       ?       -75.7547   64.151   -19.0308   96.464   -120.7336  85.899   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  8  o ?       ?       -54.4757   88.125   -62.4688   96.096   -12.2042   220.992  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  9  o ?       ?       49.865     95.729   89.147     104.838  -147.1681  234.795  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  10 o ?       ?       -72.1424   90.072   -83.8223   98.159   -9.8862    226.621  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  11 o 12.010  5.9988  64.711     71.864   81.338     108.554  51.739     95.883   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  12 o 9.9225  5.0357  -36.8891   63.641   -54.0766   84.569   -14.4457   96.638   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  13 o ?       ?       -79.7555   62.748   -31.6703   82.356   -146.3002  96.882   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  14 o ?       ?       -81.8696   63.342   -115.6082  82.961   -34.7088   98.085   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  15 o 10.116  5.1180  -24.1069   62.425   -24.4963   82.533   -23.5863   95.427   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  16 o ?       ?       -109.8185  85.963   118.702    224.883  -148.9238  93.027   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  17 o 12.333  6.2701  119.465    101.951  49.705     249.168  133.493    111.733  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  18 o 13.374  6.7699  215.658    110.176  268.860    259.904  204.003    121.646  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  19 o 14.220  6.9522  163.654    79.626   28.833     122.479  262.353    104.794  ?       ?       14.467  7.2285  0.000000       7.228478 
1 1 1 -31 12  20 o 15.751  7.5134  211.203    79.877   206.124    115.203  215.905    110.848  13.091  6.6565  13.383  6.7765  -0.2921305     9.498958 
1 1 1 -31 12  21 o 10.245  5.1962  -25.2045   67.052   -26.2130   102.309  -24.4451   88.777   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  22 o 11.884  5.9306  57.050     69.583   28.412     105.911  78.800     92.298   ?       ?       11.949  6.0642  0.000000       6.064173 
1 1 1 -31 12  23 o 11.064  5.5780  20.056     69.897   -9.2312    105.729  42.792     93.159   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  24 o 10.963  5.5495  15.960     73.991   -32.3856   102.064  69.512     107.419  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  25 o ?       ?       -28.3579   72.405   -84.7273   99.563   34.915     105.484  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  26 o 10.740  5.4368  12.951     71.034   -23.1436   93.667   61.810     108.978  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  27 f ?       ?       -131.0697  91.611   -118.6822  102.942  -178.2283  200.854  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  28 o ?       ?       10.042     99.020   111.949    111.694  -364.0948  214.015  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  29 o ?       ?       -52.2914   75.298   -66.2366   106.540  -38.3737   106.435  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 12  30 o 10.274  5.2233  19.859     70.718   -18.6145   102.084  55.358     98.058   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  1  o 11.041  5.4863  20.922     56.985   -61.2644   98.500   62.267     69.863   ?       ?       12.017  5.9881  0.000000       5.988085 
1 1 1 -31 13  2  o 10.588  5.3050  3.3146     58.276   50.981     95.774   -24.7090   73.435   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  3  o 10.961  5.4598  18.854     57.854   107.802    97.306   -29.7839   71.954   12.243  6.2146  ?       ?       0.000000       6.214609 
1 1 1 -31 13  4  o 12.094  6.0684  75.568     77.636   -31.5427   99.947   238.516    123.275  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  5  o 11.830  5.8978  55.917     68.127   61.306     99.716   51.199     93.296   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  6  o 12.594  6.2484  92.263     72.773   173.154    103.498  13.166     102.344  12.949  6.5559  ?       ?       0.000000       6.555852 
1 1 1 -31 13  7  o ?       ?       -111.8735  90.901   -62.2368   99.912   -350.4187  219.030  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  8  o ?       ?       -133.5027  222.834  0.0000     0.0000   -133.5027  222.834  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  9  o ?       ?       -5.9002    95.755   -41.2126   104.807  172.438    235.532  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  10 o 11.418  5.7374  39.588     70.731   77.948     101.045  2.7343     99.042   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  11 o 14.622  7.0459  165.823    74.397   215.972    101.673  108.026    109.152  13.666  6.8689  ?       ?       0.000000       6.868903 
1 1 1 -31 13  12 o 12.104  6.0209  69.396     69.374   38.166     92.436   109.674    104.975  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  13 o ?       ?       -79.0830   61.959   -125.4979  84.418   -24.8831   91.223   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  14 o ?       ?       -47.3858   64.001   -163.3219  86.406   93.540     95.264   ?       ?       12.019  6.1058  0.000000       6.105812 
1 1 1 -31 13  15 o ?       ?       -7.4155    105.932  237.859    230.678  -72.9615   119.249  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  16 o ?       ?       11.638     92.741   -204.4409  235.867  51.152     100.865  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  17 o ?       ?       -144.9668  76.465   -348.1590  227.061  -118.9759  81.208   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  18 o 11.868  5.9763  65.233     78.982   82.043     129.005  55.154     99.891   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  19 o 15.008  7.3124  217.105    85.969   181.307    135.771  241.063    111.072  ?       ?       13.602  6.8766  0.000000       6.876648 
1 1 1 -31 13  20 o ?       ?       -16.2322   75.707   11.293     126.063  -31.7593   94.683   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  21 o 11.373  5.7415  38.919     75.583   -83.7611   120.594  118.289    96.998   ?       ?       12.320  6.2486  0.000000       6.248644 
1 1 1 -31 13  22 o 11.571  5.7950  48.758     69.192   80.327     106.568  25.752     90.976   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  23 o 11.879  5.9671  71.540     76.091   23.064     105.045  125.056    110.371  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  24 o ?       ?       -29.1738   72.076   -113.3655  99.121   65.288     104.993  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  25 o 12.339  6.1799  107.951    78.677   -47.6616   107.453  287.798    115.518  ?       ?       13.473  6.8318  0.000000       6.831820 
1 1 1 -31 13  26 o ?       ?       143.031    109.628  129.154    122.310  199.728    247.224  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  27 o ?       ?       83.207     105.567  112.904    116.998  -46.8696   244.862  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  28 o ?       ?       31.528     79.813   2.1186     113.426  60.371     112.326  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 13  29 o ?       ?       -36.2536   70.202   24.227     99.022   -97.3709   99.542   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  1  o 11.877  5.8641  53.541     61.308   39.046     105.803  60.868     75.224   ?       ?       11.819  5.9365  0.000000       5.936512 
1 1 1 -31 14  2  o 12.882  6.2779  88.584     63.472   22.085     107.016  124.671    78.836   ?       ?       13.089  6.4956  0.000000       6.495598 
1 1 1 -31 14  3  o 9.7840  4.9481  -30.8595   57.941   22.312     106.184  -53.4032   69.141   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  4  o 10.311  5.2406  -20.9247   70.872   100.799    109.890  -107.6102  92.735   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  5  o 12.418  6.2260  100.548    80.910   -49.4062   125.571  207.002    105.801  ?       ?       13.246  6.6980  0.000000       6.698039 
1 1 1 -31 14  6  o ?       ?       120.233    284.678  0.0000     0.0000   120.233    284.678  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  7  o ?       ?       18.022     282.902  0.0000     0.0000   18.022     282.902  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  8  o ?       ?       -12.2066   106.862  10.999     115.334  -152.9694  284.056  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  9  o ?       ?       -113.4531  65.157   -72.6450   92.737   -153.2367  91.565   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  10 o 11.002  5.5507  22.077     69.980   -47.4242   96.181   100.258    102.010  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  11 o 12.152  6.0549  76.968     71.340   31.053     97.612   129.615    104.523  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  12 o 15.972  7.5136  206.188    74.726   257.772    98.428   136.005    114.809  14.566  7.2333  ?       ?       0.000000       7.233301 
1 1 1 -31 14  13 o ?       ?       -40.4832   99.569   30.606     215.777  -59.7150   112.232  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  14 o ?       ?       136.280    114.025  20.740     256.316  164.787    127.317  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  15 o ?       ?       -36.8083   98.395   13.139     231.783  -47.7879   108.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  16 o 12.344  6.2023  99.503     82.542   112.170    136.632  92.224     103.580  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  17 f 18.331  8.5255  348.117    91.769   317.014    147.673  367.685    117.131  ?       ?       14.998  7.5158  0.000000       7.515771 
1 1 1 -31 14  18 o 12.554  6.2850  108.536    81.011   -4.6232    131.046  178.529    103.063  ?       ?       12.923  6.5423  0.000000       6.542277 
1 1 1 -31 14  19 o ?       ?       -90.2436   72.953   -172.7182  130.236  -52.5314   88.067   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  20 o 12.797  6.4091  130.660    84.603   275.402    135.204  37.513     108.462  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  21 o 13.169  6.5659  151.506    84.449   127.474    134.147  167.283    108.688  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  22 o 11.107  5.6114  34.704     72.944   136.685    127.880  -14.4803   88.809   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  23 o 10.898  5.5327  26.488     77.361   68.029     131.474  4.4895     95.677   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  24 o 12.420  6.2321  125.467    81.918   119.309    114.766  131.863    116.965  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  25 o ?       ?       -2.3194    101.472  -30.7031   112.313  123.780    236.730  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  26 o ?       ?       88.437     100.370  56.363     109.869  250.230    246.761  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  27 f 10.721  5.4520  49.545     77.517   -61.9657   106.131  177.054    113.489  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 14  28 o 12.236  6.1386  155.598    79.268   226.343    111.345  82.896     112.873  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  1  o 13.901  6.7465  139.017    71.239   276.628    116.833  57.573     89.881   13.623  6.9039  ?       ?       0.000000       6.903908 
1 1 1 -31 15  2  o 11.896  5.9021  60.439     64.964   196.808    111.492  -9.6610    79.936   12.837  6.5292  ?       ?       0.000000       6.529234 
1 1 1 -31 15  3  o ?       ?       -68.6331   53.412   -16.5623   104.236  -87.1735   62.198   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  4  o ?       ?       68.571     114.227  175.534    125.005  -472.6993  281.203  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  5  o ?       ?       -205.5399  110.067  -205.5399  110.067  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  6  o ?       ?       69.701     117.198  73.150     128.317  52.350     287.823  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  7  o ?       ?       -100.1684  69.924   -44.8531   110.117  -137.5428  90.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  8  o 11.328  5.7204  43.144     75.275   37.531     111.969  47.773     101.683  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  9  o 12.269  6.1492  95.522     78.589   -10.9266   115.146  188.351    107.529  ?       ?       12.778  6.4910  0.000000       6.490951 
1 1 1 -31 15  10 o ?       ?       -65.0062   70.985   -86.4268   109.928  -49.6858   92.966   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  11 o 12.248  6.1344  92.731     77.551   191.965    114.644  9.0178     105.297  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  12 o ?       ?       -83.6388   95.909   -184.2403  210.975  -57.4325   107.679  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  13 o ?       ?       130.853    113.612  80.363     254.166  143.460    127.007  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  14 o ?       ?       45.641     101.476  -123.4898  235.973  84.014     112.399  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  15 o 12.133  6.1171  96.058     84.155   240.508    131.073  -5.2502    109.768  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  16 o ?       ?       -13.5105   82.557   22.922     133.832  -35.8903   104.893  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  17 o 12.278  6.1683  101.821    81.505   69.076     129.996  123.032    104.624  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  18 o 11.462  5.7960  55.365     79.241   13.020     133.710  78.288     98.377   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  19 f 10.720  5.4506  10.271     77.214   -145.4780  127.531  100.405    97.017   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  20 o ?       ?       -18.4221   75.731   -124.2180  125.865  41.612     94.813   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  21 o ?       ?       -6.2433    74.689   146.937    138.664  -68.8488   88.648   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  22 o ?       ?       -11.9459   70.272   -42.9252   134.983  -0.4285    82.304   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  23 o 11.948  6.0157  105.007    79.841   130.579    143.497  93.541     96.088   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  24 o ?       ?       -34.7145   127.487  94.064     148.754  -390.9736  247.417  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  25 o ?       ?       -74.7393   117.369  -6.4378    134.372  -294.5513  241.057  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  26 o ?       ?       -116.2538  69.894   -169.1517  104.912  -74.0386   93.722   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 15  27 o ?       ?       -37.5760   70.685   40.503     99.375   -117.5317  100.562  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  1  o ?       ?       -164.1924  43.365   -174.6921  98.272   -161.6535  48.324   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  2  o ?       ?       77.106     119.861  35.878     128.227  362.474    337.359  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  3  o ?       ?       191.574    127.752  139.893    137.381  521.949    347.346  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  4  o ?       ?       247.545    127.488  205.355    140.718  440.802    301.171  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  5  o ?       ?       238.031    123.861  192.531    135.572  467.768    304.639  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  6  o 11.518  5.8087  57.308     76.191   23.444     114.763  83.999     101.884  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  7  o ?       ?       -21.4258   71.701   75.812     105.436  -105.0833  97.796   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  8  o 13.362  6.6282  156.002    81.769   125.759    119.496  182.633    112.132  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  9  o 12.098  6.0667  88.820     76.945   113.545    117.862  70.455     101.577  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  10 o 13.648  6.7627  175.886    84.246   163.123    122.446  187.359    116.092  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  11 o ?       ?       176.424    114.347  485.866    308.950  127.308    123.088  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  12 o 16.830  8.4520  771.847    152.208  1257.27    338.606  648.923    170.394  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  13 o ?       ?       -15.8391   97.873   81.746     229.660  -37.4955   108.189  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  14 o ?       ?       -39.7047   79.231   -10.4186   127.251  -58.2461   101.252  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  15 o ?       ?       18.710     82.145   27.399     127.435  12.533     107.446  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  16 o ?       ?       3.8022     79.823   -51.7375   126.970  40.099     102.644  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  17 o 11.296  5.7322  54.339     82.372   30.551     132.717  69.244     105.055  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  18 o ?       ?       -99.2750   72.493   -248.7442  127.671  -28.1547   88.067   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  19 o 12.185  6.1148  108.050    78.961   228.236    134.274  44.517     97.626   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  20 o 12.091  6.0339  95.420     72.030   18.813     138.354  123.905    84.366   ?       ?       12.198  6.1471  0.000000       6.147095 
1 1 1 -31 16  21 o 10.645  5.4070  25.432     74.563   36.505     137.058  20.777     88.864   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  22 o 11.954  6.0243  117.272    81.102   215.517    143.098  70.782     98.438   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  23 o ?       ?       -71.1158   123.661  -128.5981  144.513  86.082     238.981  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  24 o ?       ?       107.945    134.863  216.822    157.215  -195.3703  262.405  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  25 f 11.090  5.6348  98.087     81.426   249.935    142.509  24.486     99.216   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 16  26 o ?       ?       4.2093     86.442   208.409    135.930  -134.4429  112.009  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  1  o ?       ?       -50.5543   113.305  -56.4323   122.543  -15.9199   297.460  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  2  o ?       ?       25.295     119.285  -23.0517   127.812  351.795    332.148  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  3  o ?       ?       -97.8620   101.679  -97.7149   108.733  -98.8868   286.960  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  4  o 12.545  6.2720  119.650    79.409   20.012     126.282  184.814    102.126  ?       ?       12.711  6.4431  0.000000       6.443083 
1 1 1 -31 17  5  o ?       ?       -80.7943   67.664   -63.9841   100.136  -94.9192   91.790   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  6  o ?       ?       -145.0943  65.511   -80.5200   98.644   -196.0468  87.624   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  7  o ?       ?       -50.3858   71.680   24.197     105.608  -114.0949  97.606   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  8  o ?       ?       -62.8028   73.084   -128.3828  108.079  -7.5505    99.204   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  9  o ?       ?       15.024     99.410   114.633    306.560  3.3189     105.089  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  10 o ?       ?       18.315     101.649  167.474    299.429  -1.1136    108.067  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  11 o ?       ?       -76.0196   91.485   -481.5014  290.835  -31.4919   96.378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  12 o ?       ?       -59.8145   86.294   -108.6114  218.726  -50.8189   93.912   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  13 o ?       ?       18.388     83.170   -1.4111    126.955  33.273     110.082  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  14 o ?       ?       -105.7870  73.435   -285.7151  115.190  17.408     95.316   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  15 o 11.522  5.8467  79.289     85.651   143.023    125.279  23.351     117.366  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  16 o 12.352  6.2214  133.676    85.836   -37.5938   129.443  268.096    114.675  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  17 o ?       ?       23.827     84.150   78.307     130.018  -15.4454   110.389  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  18 o 12.821  6.3937  150.876    80.301   52.382     137.889  201.422    98.779   ?       ?       12.725  6.4380  0.000000       6.438001 
1 1 1 -31 17  19 o 10.878  5.5139  44.064     74.736   13.946     138.244  56.501     88.838   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  20 o ?       ?       -54.1575   64.717   -312.4181  144.337  10.828     72.403   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  21 o ?       ?       68.938     133.292  88.363     155.683  15.601     257.974  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  22 o ?       ?       166.971    142.228  52.481     168.761  447.653    264.237  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  23 o ?       ?       125.496    133.251  39.480     154.846  370.971    261.587  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 17  24 o ?       ?       37.098     75.812   125.084    140.559  1.0002     90.031   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  1  o ?       ?       55.543     130.202  80.269     140.319  -97.6065   349.219  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  2  o ?       ?       -13.1917   119.462  5.3599     128.163  -136.0710  329.847  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  3  o 12.996  6.3867  123.999    69.953   157.734    129.957  110.237    83.004   ?       ?       12.055  6.0777  0.000000       6.077650 
1 1 1 -31 18  4  o 12.354  6.1782  114.582    77.331   197.260    120.846  57.248     100.633  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  5  o 11.125  5.6257  47.563     74.720   152.298    109.046  -45.1375   102.589  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  6  o ?       ?       -28.5267   68.693   -22.4338   105.438  -33.0200   90.547   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  7  o ?       ?       -17.1672   69.848   0.2263     107.020  -30.0748   92.192   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  8  o ?       ?       29.575     105.290  266.179    260.177  -16.7621   115.139  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  9  o ?       ?       38.753     102.496  88.226     309.402  32.655     108.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  10 o ?       ?       -17.8670   100.426  65.593     316.213  -27.2295   105.910  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  11 o 11.727  5.9218  90.957     80.706   136.564    113.559  44.412     114.721  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  12 o ?       ?       -26.2220   80.094   145.252    127.614  -137.6698  102.881  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  13 o ?       ?       -2.0612    79.587   -57.7971   128.268  32.828     101.484  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  14 o ?       ?       9.5034     80.115   -29.9251   127.136  35.472     103.178  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  15 o ?       ?       -26.7978   83.486   38.168     122.213  -83.6404   114.317  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  16 o ?       ?       1.6229     81.366   -93.7286   122.271  77.407     109.006  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  17 o ?       ?       18.875     76.831   80.658     138.297  -8.7061    92.403   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  18 f ?       ?       -7.2235    71.764   69.869     138.763  -35.3716   83.848   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  19 o ?       ?       -52.7715   77.369   71.726     152.475  -95.9417   89.786   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  20 o ?       ?       169.235    139.048  212.296    162.377  50.838     269.247  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  21 o ?       ?       -32.4555   130.253  75.349     151.986  -330.6353  252.769  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  22 o ?       ?       59.233     132.363  26.653     153.776  152.396    260.035  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 18  23 o ?       ?       -23.1001   75.722   118.429    139.968  -81.6619   90.035   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  1  o 14.192  6.8576  176.544    71.655   167.527    124.271  181.035    87.702   ?       ?       12.883  6.4626  0.000000       6.462647 
1 1 1 -31 19  2  o 10.890  5.4517  38.646     60.915   18.710     106.020  48.471     74.427   ?       ?       10.975  5.5565  0.000000       5.556532 
1 1 1 -31 19  3  o 11.142  5.5506  47.962     59.865   -13.5089   107.912  75.290     71.952   ?       ?       11.518  5.7878  0.000000       5.787798 
1 1 1 -31 19  4  o 10.457  5.2882  17.419     66.124   173.976    110.758  -69.2841   82.424   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  5  o 10.907  5.5359  44.604     77.028   4.8941     107.812  86.011     110.091  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  6  o ?       ?       -52.5483   96.597   0.0000     0.0000   -52.5483   96.597   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  7  o ?       ?       22.541     102.106  193.402    238.570  -15.7747   112.976  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  8  o ?       ?       103.950    110.896  448.591    263.194  29.558     122.280  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  9  o ?       ?       23.269     101.820  -42.3283   291.317  32.398     108.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  10 f 11.520  5.8240  88.225     79.639   24.254     116.163  144.959    109.395  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  11 o ?       ?       -101.6797  72.195   -188.2898  99.807   -6.6308    104.556  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  12 o ?       ?       -28.5589   79.725   -32.5722   127.728  -25.9973   102.044  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  13 o 11.208  5.6868  76.591     80.858   -71.8786   123.258  188.753    107.132  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  14 o ?       ?       24.565     81.493   -33.3914   124.484  68.030     107.805  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  15 o ?       ?       73.532     86.386   133.081    125.228  19.467     119.323  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  16 o 10.642  5.4117  46.606     76.329   61.993     130.284  38.564     94.187   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  17 o 11.015  5.5879  77.995     77.871   18.261     133.581  108.744    95.841   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  18 o 11.374  5.7682  116.092    82.560   6.7092     149.197  164.369    99.118   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  19 o ?       ?       -30.1097   129.638  -49.2979   143.544  54.777     301.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  20 o ?       ?       -22.6203   133.000  -67.3636   149.546  146.674    290.892  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 19  21 o ?       ?       6.6595     134.227  182.253    155.462  -507.6283  266.056  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  1  o 10.807  5.4430  45.772     65.693   -27.5754   116.760  79.745     79.464   ?       ?       11.199  5.6776  0.000000       5.677609 
1 1 1 -31 20  2  o 11.727  5.8701  94.007     70.568   150.176    120.360  64.584     87.112   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  3  o 9.8740  5.0120  -5.0515    63.243   21.324     114.647  -16.5880   75.822   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  4  o 9.8579  4.9983  -4.7555    61.717   -145.6250  107.140  65.203     75.503   ?       ?       11.065  5.6016  0.000000       5.601570 
1 1 1 -31 20  5  o ?       ?       23.707     100.630  -46.0702   243.227  38.117     110.534  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  6  o ?       ?       112.099    106.838  -189.0090  243.220  184.090    118.926  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  7  o ?       ?       141.955    107.378  344.379    264.526  102.020    117.493  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  8  o ?       ?       -84.6758   73.754   36.193     106.680  -195.3440  102.079  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  9  o 10.728  5.4538  48.112     76.969   14.737     114.795  75.371     103.743  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  10 o 11.824  5.9630  121.547    80.247   -40.0034   117.471  262.895    109.881  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  11 o ?       ?       32.238     80.724   -68.1747   123.548  107.038    106.633  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  12 f ?       ?       89.880     87.409   220.514    135.962  -2.1486    114.117  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  13 o ?       ?       32.012     88.348   122.436    134.668  -36.3116   117.060  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  14 o 11.060  5.6251  91.459     82.706   47.325     126.173  124.710    109.516  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  15 o ?       ?       13.696     75.629   88.853     132.168  -22.8946   92.220   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  16 o ?       ?       -35.6250   63.552   -72.4899   124.569  -22.6537   73.891   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  17 o ?       ?       57.452     79.454   134.874    135.787  17.142     97.978   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  18 o ?       ?       18.385     132.108  124.880    146.190  -455.8833  308.507  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  19 o ?       ?       -17.8911   130.365  -73.9256   144.130  234.152    305.678  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 20  20 o ?       ?       69.434     82.337   -37.6139   148.810  116.665    98.845   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  1  o 10.049  5.0903  15.938     63.004   78.817     109.272  -15.3751   77.112   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  2  o 10.879  5.4974  63.415     70.252   7.9810     132.131  85.261     82.948   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  3  o 12.148  6.1409  174.036    88.446   -117.3537  276.675  207.202    93.344   ?       ?       12.410  6.2764  0.000000       6.276371 
1 1 1 -31 21  4  o ?       ?       112.101    87.826   190.912    263.586  102.258    93.149   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  5  o ?       ?       -72.5226   94.485   -386.3208  237.748  -13.6651   102.966  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  6  o 11.118  5.6349  86.213     77.863   -52.9350   115.083  203.682    105.739  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  7  o 11.262  5.6950  93.901     76.539   162.255    109.229  27.965     107.281  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  8  o 11.083  5.6206  87.162     78.381   -38.2597   111.530  209.563    110.179  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  9  o 13.837  6.8735  272.354    89.135   345.625    123.087  191.560    129.251  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  10 o 11.229  5.6937  103.732    80.125   150.638    116.567  61.720     110.318  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  11 o 10.965  5.5630  85.348     77.204   -68.8106   118.755  198.201    101.607  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  12 o ?       ?       19.084     82.298   40.334     129.127  4.5477     106.800  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  13 o ?       ?       -14.9673   78.136   4.6408     120.102  -29.3573   102.887  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  14 o 11.311  5.7454  137.032    84.226   61.996     126.861  196.179    112.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  15 o ?       ?       -67.5104   73.632   -1.8910    121.646  -105.4547  92.503   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  16 o ?       ?       -127.8781  113.687  -123.9772  123.545  -149.4364  290.436  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  17 o ?       ?       102.620    137.276  156.389    150.295  -168.0203  337.189  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 21  18 o ?       ?       -55.7567   128.925  -101.3850  142.521  149.741    302.458  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  1  o ?       ?       14.372     83.184   306.728    278.297  -14.3102   87.169   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  2  o 11.706  5.9532  181.356    92.419   207.728    275.960  178.025    98.083   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  3  o ?       ?       -0.3507    79.536   165.935    256.570  -18.0294   83.657   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  4  o ?       ?       144.401    89.349   592.215    289.996  97.433     93.917   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  5  o 10.518  5.3444  59.435     73.358   14.138     113.970  91.475     95.853   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  6  o 12.585  6.3195  210.233    84.987   204.830    124.342  214.970    116.429  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  7  f 11.579  5.8611  145.806    82.523   140.491    120.222  150.542    113.479  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  8  o ?       ?       -30.6891   74.125   -90.6669   109.176  20.602     100.961  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  9  f ?       ?       -111.6325  69.747   -51.5559   100.364  -167.7454  96.996   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  10 o ?       ?       -6.0991    78.875   149.676    117.135  -135.3242  106.687  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  11 o ?       ?       36.169     74.543   -144.0307  113.414  173.223    98.908   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  12 o 11.327  5.7458  148.211    82.240   148.077    119.086  148.333    113.709  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  13 o ?       ?       -101.0780  70.669   -16.9467   111.635  -157.3371  91.289   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  14 o ?       ?       31.117     78.990   136.256    122.758  -43.1755   103.191  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  15 o ?       ?       126.121    136.486  157.857    151.937  -6.5322    310.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 22  16 o ?       ?       -85.7498   127.382  -152.3657  141.058  208.683    296.554  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  1  o ?       ?       27.675     87.244   80.230     265.258  21.301     92.384   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  2  o ?       ?       89.348     76.751   60.208     273.397  91.841     79.967   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  3  o 11.489  5.7596  122.934    69.107   131.924    113.872  117.693    86.950   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  4  o 11.040  5.5637  101.306    69.154   115.361    119.102  94.158     84.938   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  5  o 10.448  5.2868  66.308     66.714   -20.6537   114.549  110.946    82.069   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  6  o ?       ?       16.053     77.584   12.358     111.449  19.528     108.070  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  7  o ?       ?       51.616     77.243   94.493     114.170  15.423     104.896  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  8  o ?       ?       -44.0401   70.773   -37.1947   101.690  -50.4707   98.559   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  9  o ?       ?       70.320     82.105   6.9426     128.401  114.159    106.791  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  10 o ?       ?       110.535    78.929   -26.4614   115.233  231.614    108.331  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  11 o ?       ?       -90.8899   71.294   -44.4756   104.270  -131.6398  97.700   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  12 o ?       ?       1.8510     78.807   -38.8602   112.235  41.443     110.680  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  13 o ?       ?       -152.4663  99.658   -112.7376  105.103  -506.3905  313.703  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 23  14 f ?       ?       82.344     130.446  96.550     140.131  -9.8983    357.086  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  1  o ?       ?       -48.8520   61.211   -60.8937   82.987   -34.4832   90.652   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  2  o 10.236  5.1702  66.135     61.722   126.194    91.403   15.795     83.683   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  3  o 9.9467  5.0207  47.293     57.640   33.666     88.825   57.204     75.756   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  4  o 10.033  5.0946  59.766     65.835   171.497    101.007  -22.7582   86.806   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  5  o ?       ?       -30.4092   61.805   -67.9086   106.163  -11.1839   76.015   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  6  o ?       ?       46.124     73.689   -62.4132   106.424  146.084    102.132  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  7  o ?       ?       30.041     78.109   102.359    115.148  -31.5963   106.305  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  8  o ?       ?       -48.9593   68.604   -39.7405   106.817  -55.4319   89.504   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  9  o ?       ?       -77.0625   72.392   -96.5596   107.844  -61.0714   97.668   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  10 o ?       ?       76.213     80.664   174.973    118.155  -9.9971    110.393  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 24  11 o ?       ?       197.629    85.256   149.365    122.423  243.076    118.798  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  1  o ?       ?       11.388     63.812   -100.7185  88.207   134.479    92.428   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  2  o 9.6634  4.8940  50.365     58.021   44.732     89.208   54.494     76.384   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  3  o 9.7016  4.9236  55.291     60.852   -2.2280    90.259   103.220    82.393   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  4  o 9.6600  4.9005  52.483     59.852   51.800     91.236   52.999     79.300   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  5  o 9.4028  4.7825  38.634     59.797   66.364     90.686   17.303     79.537   ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  6  o ?       ?       113.278    72.171   99.779     103.653  125.981    100.547  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  7  o ?       ?       26.050     74.253   -15.5210   108.315  62.907     101.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 -31 25  8  o ?       ?       52.245     75.924   74.620     107.729  30.163     107.019  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 27 o ?       ?       45.212     81.188   0.0000     0.0000   45.212     81.188   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 28 o ?       ?       -16.7001   72.778   0.0000     0.0000   -16.7001   72.778   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 29 o ?       ?       -14.2804   67.514   -221.9922  163.165  28.629     74.160   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 30 o ?       ?       -29.8437   77.373   85.298     140.885  -79.5686   92.584   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 31 o ?       ?       -157.3275  77.387   -238.4458  148.434  -127.0484  90.687   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -29 32 o ?       ?       47.512     92.942   -57.3981   174.161  89.286     109.900  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 22 o ?       ?       156.423    140.511  0.0000     0.0000   156.423    140.511  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 23 f ?       ?       41.644     141.762  0.0000     0.0000   41.644     141.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 24 o ?       ?       -3.3636    76.130   0.0000     0.0000   -3.3636    76.130   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 25 o ?       ?       42.235     81.604   0.0000     0.0000   42.235     81.604   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 26 o ?       ?       -83.5493   71.768   0.0000     0.0000   -83.5493   71.768   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 27 o ?       ?       27.505     79.529   0.0000     0.0000   27.505     79.529   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 28 o ?       ?       10.275     68.811   -43.1402   134.394  29.252     80.107   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 29 o 11.434  5.7692  131.545    75.630   267.916    146.358  81.863     88.339   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 30 o ?       ?       -44.0675   80.743   -83.0736   141.317  -25.1615   98.384   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 31 o ?       ?       117.711    86.361   66.579     176.885  133.714    98.957   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 32 o ?       ?       141.026    94.963   85.540     193.146  158.715    109.055  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 33 o 11.138  5.5936  100.124    66.684   138.848    165.559  92.625     72.855   ?       ?       10.773  5.4590  0.000000       5.459037 
1 1 1 -30 -28 34 o ?       ?       21.895     64.831   31.990     157.096  19.823     71.174   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 35 o ?       ?       -39.2711   56.314   -205.6376  150.386  -12.1383   60.732   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -28 36 o ?       ?       -105.5991  115.436  -180.2785  408.484  -99.1176   120.341  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 19 o 10.575  5.2235  50.519     48.835   0.0000     0.0000   50.519     48.835   ?       ?       10.575  5.2235  0.000000       5.223550 
1 1 1 -30 -27 20 o ?       ?       673.883    143.048  0.0000     0.0000   673.883    143.048  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 21 o ?       ?       -7.8042    68.012   0.0000     0.0000   -7.8042    68.012   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 22 o ?       ?       46.407     134.114  0.0000     0.0000   46.407     134.114  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -27 24 o ?       ?       40.509     81.344   0.0000     0.0000   40.509     81.344   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 25 o ?       ?       -5.1724    77.512   0.0000     0.0000   -5.1724    77.512   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 26 f ?       ?       22.861     76.059   275.035    249.305  -3.0190    79.867   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 27 o ?       ?       -1.0140    69.398   50.142     136.375  -18.8904   80.617   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 28 o ?       ?       -7.2747    68.652   59.823     132.495  -31.9005   80.268   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 29 o ?       ?       -46.6141   69.293   -157.1281  136.029  -7.8883    80.524   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 30 o ?       ?       81.746     93.658   204.688    256.754  62.876     100.590  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 31 o ?       ?       148.036    94.329   54.353     192.381  177.687    108.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 32 o ?       ?       -57.5585   82.762   143.198    177.412  -113.3976  93.566   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 33 o ?       ?       -26.1718   62.309   36.680     161.919  -37.0971   67.508   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 34 f ?       ?       1.4602     71.530   -32.3242   151.907  11.085     81.081   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 35 o ?       ?       -63.3602   74.337   -59.5352   159.439  -64.4227   84.029   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 36 o ?       ?       -27.0863   130.213  41.809     411.189  -34.7653   137.278  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 37 o ?       ?       97.439     130.532  29.353     398.181  105.636    138.167  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -27 38 o ?       ?       23.674     77.083   239.212    162.168  -39.2370   87.613   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -26 17 o 8.7494  4.3402  -5.6814    35.059   0.0000     0.0000   -5.6814    35.059   ?       ?       8.7494  4.3402  0.000000       4.340200 
1 1 1 -30 -26 18 o ?       ?       11.891     75.276   0.0000     0.0000   11.891     75.276   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 19 o 10.649  5.2384  39.034     47.426   0.0000     0.0000   39.034     47.426   ?       ?       10.649  5.2384  0.000000       5.238385 
1 1 1 -30 -26 20 o 11.113  5.5750  68.212     65.303   0.0000     0.0000   68.212     65.303   ?       ?       11.113  5.5750  0.000000       5.574989 
1 1 1 -30 -26 21 f 11.598  5.8497  107.256    77.343   0.0000     0.0000   107.256    77.343   ?       ?       11.598  5.8497  0.000000       5.849715 
1 1 1 -30 -26 22 o ?       ?       -209.6767  121.630  0.0000     0.0000   -209.6767  121.630  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -26 24 o ?       ?       -74.0354   74.894   0.0000     0.0000   -74.0354   74.894   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 25 o ?       ?       -47.3353   65.930   3.5265     133.363  -63.7864   75.847   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 26 f 12.072  6.0376  112.469    73.883   284.221    137.427  42.647     87.623   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 27 o 11.168  5.6393  65.300     73.159   215.814    139.182  7.8383     85.997   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 28 o 10.353  5.2525  16.629     68.882   212.894    136.729  -50.1244   79.740   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 29 o 12.721  6.3250  145.658    76.181   168.883    151.651  137.820    88.104   ?       ?       11.980  6.0635  0.000000       6.063518 
1 1 1 -30 -26 30 f ?       ?       -7.9360    77.533   -141.5682  146.509  44.046     91.377   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 31 o ?       ?       -158.2964  73.914   -104.0303  165.465  -171.8245  82.615   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 32 o ?       ?       29.713     89.980   -15.0725   185.585  43.476     102.881  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 33 f 11.363  5.7453  86.841     77.735   -39.4674   157.659  127.410    89.351   ?       ?       11.677  5.9302  0.000000       5.930221 
1 1 1 -30 -26 34 o ?       ?       -9.9844    73.321   150.952    148.897  -61.5007   84.243   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 35 o 10.948  5.5518  66.413     76.326   145.386    160.221  43.231     86.809   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 36 o ?       ?       -47.0265   130.562  107.501    410.340  -64.4327   137.719  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 37 o ?       ?       25.378     128.320  -243.7452  416.458  53.609     134.882  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 38 o 11.285  5.6776  91.912     70.412   -110.2713  166.878  135.702    77.663   ?       ?       11.832  5.9540  0.000000       5.954045 
1 1 1 -30 -26 39 f ?       ?       -0.6386    72.250   32.168     170.450  -7.8239    79.771   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -26 40 o 11.424  5.7548  120.038    73.540   253.958    148.055  76.175     84.732   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -25 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -25 16 o 19.662  8.5770  343.218    77.094   0.0000     0.0000   343.218    77.094   ?       ?       19.662  8.5770  0.000000       8.577048 
1 1 1 -30 -25 17 o ?       ?       -64.2438   24.049   0.0000     0.0000   -64.2438   24.049   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 18 o ?       ?       11.941     77.581   0.0000     0.0000   11.941     77.581   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 19 o ?       ?       -560.4439  16.471   0.0000     0.0000   -560.4439  16.471   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 20 o 11.317  5.6928  64.477     70.650   0.0000     0.0000   64.477     70.650   ?       ?       11.317  5.6928  0.000000       5.692793 
1 1 1 -30 -25 21 o 10.916  5.5288  41.901     74.138   0.0000     0.0000   41.901     74.138   ?       ?       10.916  5.5288  0.000000       5.528849 
1 1 1 -30 -25 22 o ?       ?       119.491    142.702  0.0000     0.0000   119.491    142.702  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 23 o ?       ?       76.242     141.532  0.0000     0.0000   76.242     141.532  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 24 o 10.669  5.3927  22.122     67.971   95.181     133.410  -3.4922    78.993   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 25 o ?       ?       -57.1302   63.125   -140.8310  125.036  -28.4995   73.129   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 26 f 12.505  6.2008  108.256    71.285   483.367    143.974  -13.5636   82.047   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 27 o 11.185  5.6312  47.559     69.937   249.674    141.864  -17.3330   80.384   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 28 o 11.147  5.6141  45.543     69.825   -5.6006    141.890  61.886     80.209   ?       ?       11.329  5.7392  0.000000       5.739193 
1 1 1 -30 -25 29 o 11.420  5.7448  60.845     71.956   -43.8960   143.821  95.818     83.105   ?       ?       11.826  5.9763  0.000000       5.976267 
1 1 1 -30 -25 30 o 11.599  5.8777  84.316     84.536   -127.2315  148.510  185.717    102.819  ?       ?       12.515  6.3563  0.000000       6.356320 
1 1 1 -30 -25 31 o ?       ?       -94.8935   86.617   72.956     161.917  -162.1823  102.519  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 32 o ?       ?       -112.2944  82.617   -217.9635  159.032  -73.2356   96.687   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 33 o 11.583  5.8526  82.090     79.489   185.380    143.236  36.124     95.553   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 34 o ?       ?       -72.8107   74.564   -128.7832  135.331  -48.4123   89.349   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 35 o 12.834  6.4209  164.421    83.918   143.564    158.507  172.543    98.918   ?       ?       12.261  6.2278  0.000000       6.227845 
1 1 1 -30 -25 36 o ?       ?       -110.1793  107.316  -495.2561  259.711  -30.8912   117.848  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 37 o ?       ?       -64.5303   121.191  -297.0249  311.858  -23.1743   131.528  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 38 o 11.693  5.8195  84.396     65.162   92.066     121.854  81.324     77.114   ?       ?       11.272  5.7013  0.000000       5.701308 
1 1 1 -30 -25 39 o 9.7019  4.9322  -9.3588    63.022   -172.9350  122.253  49.844     73.548   ?       ?       10.701  5.4288  0.000000       5.428811 
1 1 1 -30 -25 40 o 10.489  5.3050  40.852     66.654   184.694    128.204  -12.4308   78.028   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -25 41 o 12.555  6.2373  159.504    73.459   234.255    135.084  128.116    87.534   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -24 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -24 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -24 15 o ?       ?       -278.6832  13.257   0.0000     0.0000   -278.6832  13.257   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 16 o ?       ?       -61.1986   50.796   0.0000     0.0000   -61.1986   50.796   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -24 18 o 11.422  5.7902  67.869     82.492   0.0000     0.0000   67.869     82.492   ?       ?       11.422  5.7902  0.000000       5.790184 
1 1 1 -30 -24 19 o 19.895  9.1411  474.249    100.925  0.0000     0.0000   474.249    100.925  ?       ?       19.895  9.1411  0.000000       9.141083 
1 1 1 -30 -24 20 o 10.366  5.2468  -1.3386    66.100   0.0000     0.0000   -1.3386    66.100   ?       ?       10.366  5.2468  0.000000       5.246815 
1 1 1 -30 -24 21 o 10.572  5.3712  3.6372     73.815   0.0000     0.0000   3.6372     73.815   ?       ?       10.572  5.3712  0.000000       5.371171 
1 1 1 -30 -24 22 o ?       ?       90.799     134.009  0.0000     0.0000   90.799     134.009  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 23 o ?       ?       -91.2683   119.093  -140.9045  288.902  -81.1069   130.716  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 24 o 10.874  5.4818  20.540     67.435   -4.9850    138.460  28.477     77.212   ?       ?       11.041  5.5973  0.000000       5.597336 
1 1 1 -30 -24 25 o 11.391  5.7591  49.080     77.981   90.497     308.359  46.250     80.601   ?       ?       11.328  5.7402  0.000000       5.740159 
1 1 1 -30 -24 26 o 11.917  5.9500  69.756     70.433   70.801     149.435  69.457     79.860   ?       ?       11.729  5.9191  0.000000       5.919084 
1 1 1 -30 -24 27 o 11.487  5.7763  51.084     72.383   159.076    151.761  19.283     82.354   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 28 o 11.301  5.7072  42.323     75.083   26.608     148.866  47.684     86.953   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 29 o ?       ?       -84.9291   69.703   72.603     136.794  -140.1746  81.008   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 30 o ?       ?       -2.8931    85.228   -86.8299   137.102  49.973     108.806  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 31 o ?       ?       -7.8186    87.095   -45.1309   157.230  8.6986     104.612  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 32 o 12.780  6.4826  186.758    104.539  141.202    177.385  211.000    129.399  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 33 o ?       ?       -74.4388   70.658   -75.2992   127.521  -74.0577   84.880   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 34 o 10.607  5.3648  9.8932     68.228   -9.7671    140.863  15.919     77.986   ?       ?       10.773  5.4778  0.000000       5.477839 
1 1 1 -30 -24 35 o 9.7771  4.9394  -19.5788   56.494   -15.5028   117.592  -20.8019   64.415   ?       ?       9.9720  5.0613  0.000000       5.061344 
1 1 1 -30 -24 36 o ?       ?       181.856    107.526  153.726    276.603  186.864    116.705  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 37 o ?       ?       -125.3073  86.093   -233.9556  235.064  -108.4751  92.522   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 38 o 12.954  6.3294  116.339    65.714   82.167     122.312  130.206    77.914   ?       ?       12.550  6.2652  0.000000       6.265193 
1 1 1 -30 -24 39 o 10.692  5.3758  30.733     62.592   286.335    116.583  -72.7813   74.191   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 40 o 10.154  5.1278  9.9263     60.544   21.490     116.741  5.6716     70.812   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 41 o 10.757  5.4314  47.228     67.793   82.873     121.590  31.149     81.664   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -24 42 o 11.148  5.5965  73.317     66.431   108.012    126.605  60.135     78.036   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -23 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -23 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -23 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -23 14 f 8.5588  4.3354  -51.9210   45.677   0.0000     0.0000   -51.9210   45.677   ?       ?       8.5588  4.3354  0.000000       4.335418 
1 1 1 -30 -23 15 o 23.577  9.3911  382.078    80.687   0.0000     0.0000   382.078    80.687   ?       ?       23.577  9.3911  0.000000       9.391060 
1 1 1 -30 -23 16 o 11.493  5.6970  46.633     60.005   0.0000     0.0000   46.633     60.005   ?       ?       11.493  5.6970  0.000000       5.696997 
1 1 1 -30 -23 17 o 12.195  6.1478  100.428    84.872   0.0000     0.0000   100.428    84.872   ?       ?       12.195  6.1478  0.000000       6.147814 
1 1 1 -30 -23 18 o 11.431  5.7941  48.600     82.462   0.0000     0.0000   48.600     82.462   ?       ?       11.431  5.7941  0.000000       5.794114 
1 1 1 -30 -23 19 o 12.229  6.1000  80.995     73.293   0.0000     0.0000   80.995     73.293   ?       ?       12.229  6.1000  0.000000       6.099992 
1 1 1 -30 -23 20 o ?       ?       -95.5463   61.533   0.0000     0.0000   -95.5463   61.533   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 21 o 12.915  6.3917  108.079    74.414   240.707    256.418  95.882     77.761   ?       ?       12.492  6.2396  0.000000       6.239561 
1 1 1 -30 -23 22 o ?       ?       185.096    124.782  509.359    269.797  96.858     140.740  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 23 o ?       ?       36.545     121.222  -344.9784  300.212  110.869    132.505  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 24 o 10.339  5.2264  -13.9971   64.012   -24.8699   142.148  -11.2314   71.692   ?       ?       10.545  5.3509  0.000000       5.350950 
1 1 1 -30 -23 25 o 11.253  5.6645  28.671     70.552   -135.0936  150.481  74.810     79.874   ?       ?       12.064  6.0668  0.000000       6.066779 
1 1 1 -30 -23 26 o 14.230  6.9209  155.694    76.076   239.907    159.228  130.784    86.599   ?       ?       12.953  6.4867  0.000000       6.486698 
1 1 1 -30 -23 27 o 11.804  5.9300  57.451     75.327   109.104    153.376  41.031     86.474   ?       ?       11.450  5.8165  0.000000       5.816464 
1 1 1 -30 -23 28 o 11.022  5.5698  15.867     72.158   60.432     137.898  -0.9365    84.676   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 29 o 12.249  6.1322  81.030     77.090   68.807     141.059  86.236     92.053   ?       ?       12.045  6.1068  0.000000       6.106781 
1 1 1 -30 -23 30 o ?       ?       -43.0313   80.562   -55.5735   135.881  -36.2328   100.041  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 31 o ?       ?       27.579     98.039   -187.3038  164.488  145.977    122.097  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 32 o ?       ?       -21.2840   97.348   26.564     169.879  -44.6787   118.786  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 33 o ?       ?       -36.4862   68.329   88.961     140.697  -75.2049   78.166   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 34 o 10.488  5.2487  3.5593     56.264   103.132    105.393  -36.1292   66.539   ?       ?       9.9686  5.0678  0.000000       5.067835 
1 1 1 -30 -23 35 o 12.343  6.0667  73.772     63.183   83.328     116.749  69.814     75.137   ?       ?       11.918  5.9790  0.000000       5.979031 
1 1 1 -30 -23 36 o ?       ?       -28.0389   94.638   240.172    259.118  -69.3238   101.661  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 37 o ?       ?       14.122     95.971   -299.2528  248.489  69.061     104.044  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 38 o ?       ?       -77.1185   55.361   -15.4371   103.543  -101.8094  65.511   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 39 o 10.066  5.0755  -6.4954    57.971   -41.7340   114.511  5.6480     67.221   ?       ?       10.457  5.2927  0.000000       5.292699 
1 1 1 -30 -23 40 o 10.024  5.0739  -8.7852    61.820   35.183     121.076  -24.2900   71.899   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 41 o 9.6221  4.8896  -25.8618   61.448   -56.8706   135.732  -17.8682   68.915   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 42 o ?       ?       14.811     73.931   142.440    159.636  -20.0376   83.415   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -23 43 o 11.035  5.5783  69.230     72.964   -54.7309   157.953  102.857    82.268   ?       ?       11.375  5.7680  0.000000       5.767959 
1 1 1 -30 -22 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -22 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -22 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -22 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -22 13 o 9.2546  4.4540  0.0910     29.497   0.0000     0.0000   0.0910     29.497   ?       ?       9.2546  4.4540  0.000000       4.454021 
1 1 1 -30 -22 14 o 12.524  6.0481  68.632     55.539   0.0000     0.0000   68.632     55.539   ?       ?       12.524  6.0481  0.000000       6.048067 
1 1 1 -30 -22 15 o 10.740  5.3621  11.127     57.142   0.0000     0.0000   11.127     57.142   ?       ?       10.740  5.3621  0.000000       5.362078 
1 1 1 -30 -22 16 o 13.188  6.3689  90.885     61.609   0.0000     0.0000   90.885     61.609   ?       ?       13.188  6.3689  0.000000       6.368854 
1 1 1 -30 -22 17 o 10.776  5.4639  -2.8330    73.751   0.0000     0.0000   -2.8330    73.751   ?       ?       10.776  5.4639  0.000000       5.463912 
1 1 1 -30 -22 18 o ?       ?       -80.5466   55.788   0.0000     0.0000   -80.5466   55.788   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 19 o 11.407  5.7306  30.382     70.308   0.0000     0.0000   30.382     70.308   ?       ?       11.407  5.7306  0.000000       5.730568 
1 1 1 -30 -22 20 o 10.475  5.2738  -9.4104    61.329   -44.6641   120.336  2.9592     71.281   ?       ?       10.902  5.5112  0.000000       5.511231 
1 1 1 -30 -22 21 o ?       ?       -83.9622   77.994   -56.6664   108.521  -113.1236  112.169  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 22 o ?       ?       -5.2864    112.178  -115.3743  238.548  25.971     127.110  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 23 o 11.208  5.6351  19.254     68.735   -304.2948  267.151  42.190     71.129   ?       ?       11.693  5.8590  0.000000       5.858999 
1 1 1 -30 -22 24 o 14.045  6.8463  139.516    75.621   256.620    155.040  102.960    86.623   ?       ?       12.643  6.3529  0.000000       6.352881 
1 1 1 -30 -22 25 o 10.916  5.5262  0.6032     73.476   265.197    149.111  -84.2473   84.440   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 26 o 12.622  6.2789  86.196     75.469   223.900    147.465  37.331     87.844   ?       ?       11.567  5.8746  0.000000       5.874608 
1 1 1 -30 -22 27 o 10.994  5.5630  4.7011     73.918   -8.9903    140.581  9.9327     86.900   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 28 o 12.724  6.3529  97.315     80.277   133.231    148.637  82.524     95.386   ?       ?       12.149  6.1655  0.000000       6.165526 
1 1 1 -30 -22 29 o 12.130  6.1026  69.055     81.297   -43.3033   150.412  115.424    96.626   ?       ?       12.601  6.3746  0.000000       6.374580 
1 1 1 -30 -22 30 f 12.477  6.3261  110.641    98.820   157.158    150.191  75.129     131.227  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 31 o ?       ?       -17.1703   102.688  -217.8084  171.229  95.519     128.325  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 32 o ?       ?       59.057     98.202   282.952    175.577  -42.8697   118.464  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 33 o 12.275  6.0097  58.970     60.145   353.599    114.546  -53.1821   70.672   15.564  7.7412  ?       ?       0.000000       7.741211 
1 1 1 -30 -22 34 o 11.195  5.5651  23.116     58.837   75.421     114.925  4.5377     68.494   ?       ?       10.875  5.4873  0.000000       5.487268 
1 1 1 -30 -22 35 o 17.871  7.9498  210.517    69.317   382.003    130.742  143.466    81.754   14.595  7.3867  13.606  6.7277  0.9886827      9.991291 
1 1 1 -30 -22 36 o ?       ?       62.354     98.554   -273.9600  266.242  115.753    106.090  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 37 f ?       ?       -33.6538   89.637   366.703    245.216  -95.4010   96.302   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -22 38 o 12.606  6.2092  86.124     67.352   79.350     150.768  87.813     75.281   ?       ?       12.363  6.1694  0.000000       6.169434 
1 1 1 -30 -22 39 o 10.068  5.0951  -20.3607   62.147   -26.8228   151.886  -19.0613   68.109   ?       ?       10.235  5.1959  0.000000       5.195944 
1 1 1 -30 -22 40 o 10.505  5.3079  3.5346     65.373   -42.4090   154.183  13.604     72.183   ?       ?       10.756  5.4484  0.000000       5.448386 
1 1 1 -30 -22 41 o 10.924  5.5178  29.917     70.268   -39.2357   157.894  46.996     78.467   ?       ?       11.190  5.6695  0.000000       5.669504 
1 1 1 -30 -22 42 o 12.025  6.0110  93.988     72.800   -52.8124   154.410  135.945    82.550   ?       ?       12.493  6.2674  0.000000       6.267403 
1 1 1 -30 -22 43 o 11.455  5.7857  81.825     77.234   251.111    192.153  49.206     84.347   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -21 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -21 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -21 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -21 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -21 12 o 8.7293  4.4176  -56.6294   46.682   0.0000     0.0000   -56.6294   46.682   ?       ?       8.7293  4.4176  0.000000       4.417579 
1 1 1 -30 -21 13 o 12.629  5.9702  57.706     48.260   0.0000     0.0000   57.706     48.260   ?       ?       12.629  5.9702  0.000000       5.970169 
1 1 1 -30 -21 14 o ?       ?       -70.0508   68.488   0.0000     0.0000   -70.0508   68.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 15 o 12.762  6.2176  72.857     62.134   0.0000     0.0000   72.857     62.134   ?       ?       12.762  6.2176  0.000000       6.217564 
1 1 1 -30 -21 16 o 11.398  5.6550  26.055     59.600   0.0000     0.0000   26.055     59.600   ?       ?       11.398  5.6550  0.000000       5.655050 
1 1 1 -30 -21 17 o 12.414  6.2582  84.402     87.930   0.0000     0.0000   84.402     87.930   ?       ?       12.414  6.2582  0.000000       6.258162 
1 1 1 -30 -21 18 o ?       ?       -106.1260  56.679   0.0000     0.0000   -106.1260  56.679   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 19 o 8.8859  4.5149  -73.5093   52.265   -72.2510   101.086  -73.9684   61.060   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 20 o 14.116  6.9244  148.072    81.011   472.737    138.373  -21.2402   99.926   15.724  7.9173  ?       ?       0.000000       7.917274 
1 1 1 -30 -21 21 o 51.201  15.194  2270.22    202.392  3875.67    391.161  1683.28    236.512  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 22 f 16.019  8.0646  524.440    143.302  292.073    289.135  600.106    164.992  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 23 o 11.693  5.8510  35.842     69.793   -25.7905   139.942  56.247     80.521   ?       ?       12.044  6.0609  0.000000       6.060912 
1 1 1 -30 -21 24 o 10.842  5.4845  -7.8859    71.439   -115.7301  132.139  36.654     84.920   ?       ?       11.687  5.9191  0.000000       5.919058 
1 1 1 -30 -21 25 f ?       ?       -81.6270   64.887   -9.4927    128.910  -106.1050  75.094   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 26 o 11.329  5.7172  17.136     74.538   -18.1679   141.355  30.733     87.725   ?       ?       11.598  5.8887  0.000000       5.888659 
1 1 1 -30 -21 27 o 11.171  5.6575  6.1898     77.526   -117.4046  147.301  53.544     91.176   ?       ?       11.924  6.0487  0.000000       6.048740 
1 1 1 -30 -21 28 o 11.320  5.7338  13.952     79.786   -87.2751   144.317  58.511     95.749   ?       ?       11.969  6.0843  0.000000       6.084295 
1 1 1 -30 -21 29 f 12.279  6.1826  70.922     84.367   -212.3360  155.196  189.745    100.517  ?       ?       13.889  6.9605  0.000000       6.960493 
1 1 1 -30 -21 30 o 12.709  6.4552  124.771    106.135  236.468    161.094  39.098     141.085  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 31 o ?       ?       47.477     97.605   -81.8805   175.215  105.678    117.528  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 32 o 11.561  5.7953  29.192     69.947   188.056    174.205  -1.3437    76.374   ?       ?       11.044  5.5954  0.000000       5.595419 
1 1 1 -30 -21 33 o 9.4633  4.7945  -54.6658   56.056   44.235     99.831   -100.2066  67.743   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 34 o 9.8518  4.9792  -38.8822   57.866   65.511     114.605  -74.6024   67.039   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 35 f 11.893  5.9082  44.408     65.879   -39.3251   145.851  65.869     73.841   ?       ?       12.306  6.1362  0.000000       6.136218 
1 1 1 -30 -21 36 o 12.455  6.3275  107.490    102.431  8.9249     251.934  127.010    112.116  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 37 o ?       ?       -2.6553    95.946   -411.2912  263.604  59.747     103.011  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 38 o 10.047  5.0978  -37.4111   64.944   -107.1251  150.285  -21.4033   72.015   ?       ?       10.501  5.3322  0.000000       5.332197 
1 1 1 -30 -21 39 o 11.168  5.6102  22.253     67.294   80.725     154.002  8.4531     74.814   ?       ?       10.967  5.5547  0.000000       5.554666 
1 1 1 -30 -21 40 o 11.257  5.6610  30.454     69.567   130.535    159.131  6.8083     77.349   ?       ?       10.882  5.5254  0.000000       5.525359 
1 1 1 -30 -21 41 o 10.482  5.2952  -1.6195    64.863   -175.0540  147.743  39.790     72.192   ?       ?       11.324  5.7037  0.000000       5.703702 
1 1 1 -30 -21 42 o 11.169  5.6479  39.588     75.339   150.524    185.403  17.648     82.453   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -21 43 o 12.972  6.4712  154.419    82.562   214.893    192.799  140.839    91.363   ?       ?       12.313  6.2262  0.000000       6.226166 
1 1 1 -30 -21 44 o 10.697  5.4331  31.517     75.216   -95.0960   201.420  52.033     81.081   ?       ?       10.974  5.5805  0.000000       5.580541 
1 1 1 -30 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -20 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -20 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -20 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -20 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -20 11 o 8.3812  3.7415  4.8570     15.501   0.0000     0.0000   4.8570     15.501   ?       ?       8.3812  3.7415  0.000000       3.741533 
1 1 1 -30 -20 12 o 9.3825  4.6286  -15.4515   37.920   0.0000     0.0000   -15.4515   37.920   ?       ?       9.3825  4.6286  0.000000       4.628592 
1 1 1 -30 -20 13 o 8.8314  4.4413  -45.9640   42.845   0.0000     0.0000   -45.9640   42.845   ?       ?       8.8314  4.4413  0.000000       4.441294 
1 1 1 -30 -20 14 o 12.576  6.0578  55.684     54.874   0.0000     0.0000   55.684     54.874   ?       ?       12.576  6.0578  0.000000       6.057826 
1 1 1 -30 -20 15 o 9.3295  4.7253  -59.0776   54.175   0.0000     0.0000   -59.0776   54.175   ?       ?       9.3295  4.7253  0.000000       4.725340 
1 1 1 -30 -20 16 o 10.390  5.2806  -41.6117   71.820   0.0000     0.0000   -41.6117   71.820   ?       ?       10.390  5.2806  0.000000       5.280554 
1 1 1 -30 -20 17 o 13.468  6.7387  137.961    92.554   0.0000     0.0000   137.961    92.554   ?       ?       13.468  6.7387  0.000000       6.738673 
1 1 1 -30 -20 18 o 15.984  7.2874  139.922    62.506   81.903     123.662  159.831    72.442   ?       ?       15.547  7.3391  0.000000       7.339093 
1 1 1 -30 -20 19 o 9.5124  4.7954  -43.5741   51.636   -25.9683   108.600  -48.7171   58.696   ?       ?       9.7726  4.9464  0.000000       4.946405 
1 1 1 -30 -20 20 o 9.4333  4.7758  -55.9653   54.921   -27.7819   122.505  -63.0548   61.442   ?       ?       9.6390  4.8973  0.000000       4.897308 
1 1 1 -30 -20 21 o ?       ?       -41.1836   111.228  116.450    237.507  -85.4676   125.886  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 22 o ?       ?       41.911     131.701  0.0000     0.0000   41.911     131.701  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 23 o 12.693  6.2731  73.053     70.786   38.169     133.191  86.784     83.565   ?       ?       12.692  6.3585  0.000000       6.358515 
1 1 1 -30 -20 24 o 10.443  5.2883  -29.4594   67.610   163.151    124.378  -110.2429  80.550   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 25 o 10.485  5.3294  -36.6483   73.313   -51.3190   135.795  -30.6133   87.096   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 26 o 10.495  5.3381  -38.1363   74.476   -166.8659  140.270  12.399     87.887   ?       ?       11.433  5.8133  0.000000       5.813347 
1 1 1 -30 -20 27 o 12.849  6.4272  94.632     83.905   -106.5373  166.248  163.388    97.192   ?       ?       13.706  6.8648  0.000000       6.864768 
1 1 1 -30 -20 28 o 11.723  5.9245  32.257     81.849   -17.7308   151.234  52.965     97.336   ?       ?       11.994  6.1006  0.000000       6.100581 
1 1 1 -30 -20 29 o ?       ?       -40.2696   76.000   -163.3019  142.865  8.2891     89.753   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 30 o 12.540  6.3642  95.629     101.650  117.533    175.702  84.608     124.624  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 31 o ?       ?       22.510     103.842  0.0000     0.0000   22.510     103.842  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 32 o 12.658  6.2856  72.685     74.299   -188.3990  173.294  131.488    82.242   ?       ?       13.824  6.8189  0.000000       6.818910 
1 1 1 -30 -20 33 o 13.596  6.6373  103.280    71.806   273.485    160.491  60.682     80.290   ?       ?       12.295  6.1697  0.000000       6.169704 
1 1 1 -30 -20 34 o 13.118  6.4295  84.298     69.398   119.441    154.793  75.457     77.637   ?       ?       12.645  6.3028  0.000000       6.302785 
1 1 1 -30 -20 35 o 10.957  5.4816  2.4234     61.151   -144.3768  146.316  33.493     67.312   ?       ?       11.768  5.8662  0.000000       5.866217 
1 1 1 -30 -20 36 o ?       ?       -46.6014   91.857   -235.3482  253.667  -18.1163   98.545   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 37 o ?       ?       -186.0744  82.072   -481.6565  228.540  -142.3118  87.938   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 38 o 12.327  6.1101  60.896     68.944   160.397    155.264  36.459     76.945   ?       ?       11.713  5.8985  0.000000       5.898475 
1 1 1 -30 -20 39 o 10.427  5.2747  -22.5573   66.180   137.565    147.289  -63.0616   74.079   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 40 o 11.327  5.6831  25.037     67.969   37.132     167.054  22.638     74.406   ?       ?       11.306  5.7065  0.000000       5.706539 
1 1 1 -30 -20 41 o 11.025  5.5732  13.148     72.827   198.741    315.906  2.7304     74.843   ?       ?       10.868  5.5098  0.000000       5.509830 
1 1 1 -30 -20 42 o ?       ?       -24.1461   72.320   62.376     178.943  -41.0373   79.065   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -20 43 o 14.334  6.5385  100.135    50.402   113.679    61.541   72.541     87.842   13.695  6.5499  11.631  5.9040  2.064359       8.818062 
1 1 1 -30 -20 44 o 9.1804  4.5915  -19.1981   42.749   2.0169     50.598   -72.1065   79.906   10.069  5.0298  ?       ?       0.000000       5.029809 
1 1 1 -30 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -19 10 o 3.7906  1.8236  -6.3792    4.9323   0.0000     0.0000   -6.3792    4.9323   ?       ?       3.7906  1.8236  0.000000       1.823597 
1 1 1 -30 -19 11 o 12.782  6.2521  67.241     64.656   0.0000     0.0000   67.241     64.656   ?       ?       12.782  6.2521  0.000000       6.252099 
1 1 1 -30 -19 12 o 15.453  6.8274  98.969     50.288   0.0000     0.0000   98.969     50.288   ?       ?       15.453  6.8274  0.000000       6.827373 
1 1 1 -30 -19 13 o 11.135  5.4520  14.095     49.516   0.0000     0.0000   14.095     49.516   ?       ?       11.135  5.4520  0.000000       5.452024 
1 1 1 -30 -19 14 o 11.744  5.7422  29.232     54.388   0.0000     0.0000   29.232     54.388   ?       ?       11.744  5.7422  0.000000       5.742227 
1 1 1 -30 -19 15 o 21.274  8.9882  291.422    79.746   0.0000     0.0000   291.422    79.746   ?       ?       21.274  8.9882  0.000000       8.988191 
1 1 1 -30 -19 16 o 11.301  5.7122  2.0773     76.366   0.0000     0.0000   2.0773     76.366   ?       ?       11.301  5.7122  0.000000       5.712216 
1 1 1 -30 -19 17 o 11.978  5.9650  38.267     68.895   -44.7370   137.272  66.215     79.653   ?       ?       12.506  6.2567  0.000000       6.256701 
1 1 1 -30 -19 18 o 12.017  5.8609  37.923     55.602   -44.0747   116.648  62.031     63.250   ?       ?       12.711  6.2102  0.000000       6.210244 
1 1 1 -30 -19 19 o 11.515  5.6782  23.096     56.845   -183.4159  117.950  85.575     64.877   ?       ?       13.442  6.5025  0.000000       6.502500 
1 1 1 -30 -19 20 o 12.718  6.2285  64.063     64.740   187.251    131.417  24.588     74.393   ?       ?       11.657  5.8610  0.000000       5.861037 
1 1 1 -30 -19 21 o ?       ?       -131.7695  102.435  -79.4290   223.234  -145.7299  115.289  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 22 o ?       ?       142.093    116.753  350.331    251.840  85.086     131.768  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 23 o 11.134  5.6072  0.8027     69.588   61.708     128.651  -24.3864   82.736   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 24 o 11.766  5.9041  30.265     73.499   -62.4154   130.275  73.540     89.020   ?       ?       12.475  6.2899  0.000000       6.289931 
1 1 1 -30 -19 25 o ?       ?       -61.0093   68.913   -185.9203  125.872  -7.5420    82.352   ?       ?       11.188  5.6828  0.000000       5.682788 
1 1 1 -30 -19 26 o 11.523  5.8198  16.129     78.113   -55.4813   140.196  48.368     94.067   ?       ?       12.049  6.1158  0.000000       6.115844 
1 1 1 -30 -19 27 o 11.271  5.7058  0.8744     78.326   -113.4940  144.270  48.674     93.269   ?       ?       12.062  6.1186  0.000000       6.118642 
1 1 1 -30 -19 28 o 11.575  5.7919  21.912     68.414   201.763    142.344  -32.1143   78.016   ?       ?       10.757  5.4703  0.000000       5.470253 
1 1 1 -30 -19 29 o 11.043  5.5719  -5.3696    70.600   202.759    153.111  -61.5712   79.564   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 30 o ?       ?       -29.2798   80.320   -165.8327  166.306  12.262     91.727   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 31 o ?       ?       -85.7247   98.928   0.0000     0.0000   -85.7247   98.928   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 32 o 12.404  6.1833  57.475     74.767   -106.8029  157.817  105.018    84.900   ?       ?       13.232  6.5950  0.000000       6.594954 
1 1 1 -30 -19 33 o 9.8433  5.0057  -66.8085   65.310   -182.2284  152.888  -41.0460   72.231   ?       ?       10.510  5.3369  0.000000       5.336903 
1 1 1 -30 -19 34 o 17.732  8.2062  243.344    83.445   414.537    172.388  190.957    95.362   ?       ?       14.666  7.2541  0.000000       7.254121 
1 1 1 -30 -19 35 o 10.214  5.1917  -54.6671   69.655   0.2533     157.125  -68.1003   77.708   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 36 o ?       ?       101.673    123.793  0.0000     0.0000   101.673    123.793  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 37 o ?       ?       10.276     103.156  263.345    312.727  -20.6221   109.272  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -19 38 o 15.933  7.1210  120.734    56.323   1.5244     75.160   273.414    85.060   11.221  5.6715  18.521  8.4660  -7.299391      10.19019 
1 1 1 -30 -19 39 o 13.534  6.3268  72.130     51.588   -1.0340    68.874   165.634    77.862   11.023  5.5549  15.139  7.2737  -4.115150      9.152189 
1 1 1 -30 -19 40 o 8.0953  4.0791  -54.2571   37.107   -19.2625   42.960   -157.0875  73.642   9.6047  4.7713  ?       ?       0.000000       4.771260 
1 1 1 -30 -19 41 o 14.406  6.5904  92.147     51.675   62.397     65.869   139.764    83.334   12.344  6.0914  13.655  6.7591  -1.311296      9.098947 
1 1 1 -30 -19 42 o 14.010  6.4441  86.053     50.335   106.469    61.235   43.518     88.387   13.957  6.6351  11.587  5.8858  2.369381       8.869446 
1 1 1 -30 -19 43 o 13.234  6.2346  78.188     51.796   0.0401     63.911   227.743    88.414   10.579  5.3333  15.000  7.3318  -4.421368      9.066421 
1 1 1 -30 -19 44 f 13.370  6.2546  83.491     50.566   60.196     61.069   134.295    90.185   11.875  5.8609  12.549  6.3277  -0.6744289     8.624969 
1 1 1 -30 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -18 9  o 8.4176  3.7729  3.9312     15.932   0.0000     0.0000   3.9312     15.932   ?       ?       8.4176  3.7729  0.000000       3.772893 
1 1 1 -30 -18 10 o 10.787  4.7318  18.962     23.757   0.0000     0.0000   18.962     23.757   ?       ?       10.787  4.7318  0.000000       4.731784 
1 1 1 -30 -18 11 o 12.266  6.0506  43.794     64.759   0.0000     0.0000   43.794     64.759   ?       ?       12.266  6.0506  0.000000       6.050646 
1 1 1 -30 -18 12 o 10.368  5.0823  -3.3395    43.399   0.0000     0.0000   -3.3395    43.399   ?       ?       10.368  5.0823  0.000000       5.082338 
1 1 1 -30 -18 13 o 13.616  6.4238  72.344     55.355   0.0000     0.0000   72.344     55.355   ?       ?       13.616  6.4238  0.000000       6.423763 
1 1 1 -30 -18 14 o 8.9131  4.5098  -66.6744   48.503   0.0000     0.0000   -66.6744   48.503   ?       ?       8.9131  4.5098  0.000000       4.509762 
1 1 1 -30 -18 15 o 11.201  5.5822  5.8904     60.790   0.0000     0.0000   5.8904     60.790   ?       ?       11.201  5.5822  0.000000       5.582206 
1 1 1 -30 -18 16 o 11.685  5.8243  22.817     66.245   153.853    130.822  -22.3694   76.823   ?       ?       10.967  5.5625  0.000000       5.562503 
1 1 1 -30 -18 17 o 10.979  5.4506  2.5979     55.750   20.939     141.120  -0.7940    60.687   ?       ?       11.013  5.5026  0.000000       5.502593 
1 1 1 -30 -18 18 o 13.168  6.3651  70.680     61.860   58.344     126.471  74.559     70.924   ?       ?       12.994  6.3947  0.000000       6.394711 
1 1 1 -30 -18 19 o 11.140  5.5397  6.3339     58.511   35.577     118.572  -3.0793    67.272   ?       ?       11.101  5.5803  0.000000       5.580333 
1 1 1 -30 -18 20 o 12.703  6.3453  72.040     80.467   114.469    122.041  39.410     107.026  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 21 o ?       ?       107.724    111.260  121.787    229.124  103.385    127.272  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 22 o ?       ?       -122.3192  110.087  -401.5212  235.411  -44.1720   124.545  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 23 o 13.161  6.4930  85.140     74.693   54.322     135.645  98.551     89.481   ?       ?       13.048  6.5429  0.000000       6.542866 
1 1 1 -30 -18 24 o 10.515  5.3391  -42.6099   72.251   52.479     129.378  -85.7041   87.097   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 25 o 13.337  6.5930  96.571     78.324   -4.4816    138.500  144.084    94.968   ?       ?       13.750  6.8721  0.000000       6.872086 
1 1 1 -30 -18 26 o 11.580  5.7721  19.469     65.120   -89.5033   132.538  54.148     74.768   ?       ?       12.394  6.1792  0.000000       6.179159 
1 1 1 -30 -18 27 o 11.265  5.6313  7.0072     63.981   -164.2724  137.164  54.637     72.332   ?       ?       12.435  6.1796  0.000000       6.179607 
1 1 1 -30 -18 28 o 10.405  5.2632  -36.6589   65.765   -15.8289   138.798  -42.6892   74.681   ?       ?       10.588  5.3816  0.000000       5.381589 
1 1 1 -30 -18 29 o 13.133  6.4398  78.149     69.871   -132.6364  151.080  135.499    78.805   ?       ?       14.409  7.0163  0.000000       7.016319 
1 1 1 -30 -18 30 o ?       ?       83.341     113.916  0.0000     0.0000   83.341     113.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 31 o ?       ?       -17.8452   91.432   -221.2831  175.016  58.519     107.227  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 32 o 11.993  6.0019  34.417     73.543   258.090    158.841  -26.6146   82.972   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 33 o 11.218  5.6557  -3.7088    71.932   -55.1082   161.970  8.9192     80.283   ?       ?       11.560  5.8444  0.000000       5.844411 
1 1 1 -30 -18 34 o ?       ?       -98.4071   71.116   -454.3841  323.903  -80.3776   72.895   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 35 o 12.858  6.1525  54.400     54.451   63.706     69.704   39.831     87.215   12.808  6.3102  12.137  6.1322  0.6712561      8.799060 
1 1 1 -30 -18 36 o ?       ?       115.917    142.653  1261.38    368.826  -85.5827   154.692  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 37 o ?       ?       1.5472     122.987  237.011    325.363  -37.7053   132.843  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -18 38 o 10.912  5.4141  0.8026     54.679   -90.0009   70.039   142.516    87.498   ?       ?       14.106  6.9721  0.000000       6.972113 
1 1 1 -30 -18 39 o 12.345  5.9062  43.069     50.143   48.564     61.570   32.245     86.410   12.373  6.0627  11.900  6.0208  0.4734821      8.544405 
1 1 1 -30 -18 40 f 11.385  5.4860  22.717     45.089   40.203     54.228   -16.4487   81.158   12.101  5.8757  11.044  5.6129  1.056597       8.125758 
1 1 1 -30 -18 41 o 11.797  5.7198  34.084     50.884   39.534     64.071   24.776     83.732   11.910  5.9008  11.607  5.8783  0.3031893      8.329072 
1 1 1 -30 -18 42 o 9.5307  4.7593  -24.9152   45.129   -24.8819   54.867   -24.9847   79.347   10.016  5.0356  ?       ?       0.000000       5.035552 
1 1 1 -30 -18 43 o 9.1782  4.6134  -36.8380   45.910   -31.0795   55.746   -48.9770   80.937   9.8190  4.9540  ?       ?       0.000000       4.954017 
1 1 1 -30 -18 44 o 12.528  6.0670  69.313     56.825   32.477     64.263   201.391    121.686  11.281  5.6402  ?       ?       0.000000       5.640173 
1 1 1 -30 -18 45 o 11.066  5.4452  30.831     51.360   42.069     56.881   -18.7752   119.505  11.376  5.6226  ?       ?       0.000000       5.622554 
1 1 1 -30 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -17 9  o 9.0014  3.9778  7.0411     17.078   0.0000     0.0000   7.0411     17.078   ?       ?       9.0014  3.9778  0.000000       3.977756 
1 1 1 -30 -17 10 o 10.120  5.0350  -20.7911   48.596   0.0000     0.0000   -20.7911   48.596   ?       ?       10.120  5.0350  0.000000       5.034981 
1 1 1 -30 -17 11 o 19.014  7.6080  143.595    53.196   0.0000     0.0000   143.595    53.196   ?       ?       19.014  7.6080  0.000000       7.607955 
1 1 1 -30 -17 12 o 8.9799  4.5073  -47.4349   42.991   0.0000     0.0000   -47.4349   42.991   ?       ?       8.9799  4.5073  0.000000       4.507294 
1 1 1 -30 -17 13 o 12.179  5.8924  36.078     53.310   0.0000     0.0000   36.078     53.310   ?       ?       12.179  5.8924  0.000000       5.892449 
1 1 1 -30 -17 14 o 15.742  7.2394  127.820    63.486   0.0000     0.0000   127.820    63.486   ?       ?       15.742  7.2394  0.000000       7.239381 
1 1 1 -30 -17 15 o 9.9798  5.0168  -37.0200   54.371   -178.1175  108.125  10.734     62.903   ?       ?       11.436  5.6961  0.000000       5.696064 
1 1 1 -30 -17 16 o 11.696  5.8371  19.334     67.446   120.072    143.572  -9.1925    76.401   ?       ?       11.252  5.6897  0.000000       5.689734 
1 1 1 -30 -17 17 o 12.848  6.2432  58.294     61.540   -130.1802  125.404  118.079    70.629   ?       ?       14.568  6.9804  0.000000       6.980374 
1 1 1 -30 -17 18 o 11.743  5.8064  23.498     60.902   -107.2278  122.591  66.333     70.174   ?       ?       12.898  6.3502  0.000000       6.350204 
1 1 1 -30 -17 19 o 11.907  5.8812  29.009     61.903   -77.7559   121.316  66.592     71.978   ?       ?       12.864  6.3517  0.000000       6.351671 
1 1 1 -30 -17 20 o 14.837  7.3993  224.630    107.544  444.166    244.837  172.148    119.711  ?       ?       13.538  6.8740  0.000000       6.873983 
1 1 1 -30 -17 21 o 14.285  7.1498  186.034    104.554  324.711    238.897  153.179    116.281  ?       ?       13.389  6.7963  0.000000       6.796304 
1 1 1 -30 -17 22 o 11.912  5.9999  26.060     79.817   559.292    223.065  -52.2366   85.476   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 23 o 12.645  6.2863  60.025     75.165   -48.7073   138.197  105.705    89.573   ?       ?       13.329  6.6635  0.000000       6.663456 
1 1 1 -30 -17 24 o 12.542  6.1808  51.802     67.012   86.533     140.493  41.573     76.243   ?       ?       12.219  6.1143  0.000000       6.114255 
1 1 1 -30 -17 25 o 12.976  6.3340  64.913     65.343   27.781     134.784  76.322     74.710   ?       ?       13.064  6.4545  0.000000       6.454463 
1 1 1 -30 -17 26 o 11.370  5.7007  4.8411     67.799   210.304    133.160  -67.0621   78.774   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 27 o 11.095  5.5642  -4.8787    64.836   177.796    133.370  -61.4097   74.193   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 28 o ?       ?       -135.0270  61.302   -40.5587   137.113  -158.6274  68.532   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 29 o 11.406  5.7927  -8.5523    85.251   120.563    151.735  -68.1087   103.053  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 30 o 11.508  5.8352  -0.7568    84.140   -11.4048   177.487  2.3299     95.560   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 31 o 9.8156  4.9642  -54.5147   58.329   -17.0455   74.331   -114.5645  94.100   11.084  5.6055  ?       ?       0.000000       5.605545 
1 1 1 -30 -17 32 f 11.421  5.6160  15.024     54.327   26.568     73.033   0.7236     81.289   11.920  5.9674  11.513  5.8265  0.4070091      8.340156 
1 1 1 -30 -17 33 o 11.949  5.8047  30.189     53.103   -9.0041    68.343   89.901     84.357   11.113  5.5913  13.181  6.5701  -2.068087      8.627260 
1 1 1 -30 -17 34 o 9.5661  4.7973  -39.7816   48.168   -29.3201   60.614   -57.7107   79.351   10.460  5.2634  ?       ?       0.000000       5.263384 
1 1 1 -30 -17 35 o ?       ?       -48.0501   126.401  440.298    332.941  -130.2912  136.630  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 36 o ?       ?       68.462     123.884  141.992    326.227  56.071     133.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 37 o ?       ?       195.697    133.127  14.488     360.763  224.262    143.236  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -17 38 o 11.083  5.4409  7.1582     50.359   23.438     62.284   -23.5788   85.580   11.799  5.8409  ?       ?       0.000000       5.840925 
1 1 1 -30 -17 39 o 11.356  5.5285  16.610     48.873   27.393     58.386   -8.6324    89.332   11.846  5.8244  ?       ?       0.000000       5.824355 
1 1 1 -30 -17 40 o 12.826  6.1408  54.722     54.411   -25.8267   64.886   245.551    99.872   10.606  5.3501  15.754  7.7196  -5.148319      9.392327 
1 1 1 -30 -17 41 f 12.124  5.7670  37.625     46.380   49.638     54.008   3.8835     90.515   12.526  6.0281  ?       ?       0.000000       6.028093 
1 1 1 -30 -17 42 f 11.129  5.4465  16.213     49.240   45.148     60.938   -38.2159   83.579   12.125  5.9593  ?       ?       0.000000       5.959282 
1 1 1 -30 -17 43 o 10.564  5.2132  3.8589     48.258   17.367     59.685   -21.6452   82.012   11.187  5.5683  ?       ?       0.000000       5.568291 
1 1 1 -30 -17 44 o 12.032  5.8726  50.358     56.154   76.691     63.086   -50.0932   123.215  12.702  6.2053  ?       ?       0.000000       6.205300 
1 1 1 -30 -17 45 o 9.9440  4.9944  -14.3209   53.223   -30.1561   59.471   49.389     119.288  9.8246  4.9734  ?       ?       0.000000       4.973408 
1 1 1 -30 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -16 8  o 13.163  5.4312  39.400     28.102   0.0000     0.0000   39.400     28.102   ?       ?       13.163  5.4312  0.000000       5.431171 
1 1 1 -30 -16 9  o 11.257  5.2307  19.058     34.417   0.0000     0.0000   19.058     34.417   ?       ?       11.257  5.2307  0.000000       5.230695 
1 1 1 -30 -16 10 o 10.892  5.4018  -5.5157    54.204   0.0000     0.0000   -5.5157    54.204   ?       ?       10.892  5.4018  0.000000       5.401752 
1 1 1 -30 -16 11 o 13.474  6.1837  56.286     45.996   0.0000     0.0000   56.286     45.996   ?       ?       13.474  6.1837  0.000000       6.183658 
1 1 1 -30 -16 12 o 11.376  5.5418  14.481     49.307   0.0000     0.0000   14.481     49.307   ?       ?       11.376  5.5418  0.000000       5.541839 
1 1 1 -30 -16 13 o 14.651  6.8027  92.695     58.038   0.0000     0.0000   92.695     58.038   ?       ?       14.651  6.8027  0.000000       6.802687 
1 1 1 -30 -16 14 o 15.233  6.8914  97.107     54.575   106.167    123.725  94.918     60.811   ?       ?       14.516  6.8123  0.000000       6.812253 
1 1 1 -30 -16 15 o 11.480  5.7558  4.9439     69.148   -63.8243   135.146  29.331     80.480   ?       ?       12.078  6.0757  0.000000       6.075719 
1 1 1 -30 -16 16 o 11.444  5.7656  -0.7177    73.982   -58.7445   129.646  27.302     90.090   ?       ?       12.070  6.1114  0.000000       6.111437 
1 1 1 -30 -16 17 o 12.115  5.9639  32.682     61.848   180.175    120.077  -20.5778   72.156   13.786  6.9880  11.039  5.5777  2.746735       8.941092 
1 1 1 -30 -16 18 o 21.309  8.7760  246.890    73.206   644.673    141.894  102.606    85.458   20.121  9.7044  13.524  6.7202  6.596644       11.80411 
1 1 1 -30 -16 19 o 11.733  5.8230  18.761     63.400   70.670     121.030  -0.8701    74.430   ?       ?       11.455  5.7724  0.000000       5.772439 
1 1 1 -30 -16 20 o 13.474  6.7873  124.141    102.317  93.227     234.076  131.443    113.761  ?       ?       13.325  6.7591  0.000000       6.759092 
1 1 1 -30 -16 21 o 14.236  7.1469  181.974    108.363  -91.1819   229.889  260.005    122.870  ?       ?       14.804  7.4550  0.000000       7.454982 
1 1 1 -30 -16 22 o 14.453  6.8814  102.483    66.353   -206.2893  137.113  196.908    75.823   ?       ?       17.601  8.0253  0.000000       8.025336 
1 1 1 -30 -16 23 o 11.149  5.5581  -1.8301    60.459   -74.0798   131.374  17.583     68.098   ?       ?       11.767  5.8714  0.000000       5.871383 
1 1 1 -30 -16 24 o 10.987  5.5661  -29.3992   75.479   20.086     134.248  -52.2721   91.270   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -16 25 o 10.887  5.4655  -16.3010   63.333   -94.5986   133.495  6.4403     71.945   ?       ?       11.568  5.8098  0.000000       5.809809 
1 1 1 -30 -16 26 o 10.909  5.4892  -18.9815   65.952   12.125     137.628  -28.2540   75.142   ?       ?       10.993  5.5678  0.000000       5.567804 
1 1 1 -30 -16 27 o 14.642  7.0513  122.566    74.208   152.829    149.127  112.606    85.552   ?       ?       13.764  6.8192  0.000000       6.819173 
1 1 1 -30 -16 28 f 19.200  7.9077  164.987    59.441   147.221    82.697   183.976    85.496   14.831  7.2141  15.748  7.5801  -0.9168253     10.46426 
1 1 1 -30 -16 29 o 11.051  5.4802  -0.2260    55.738   55.111     68.099   -112.5313  97.014   12.740  6.2692  ?       ?       0.000000       6.269171 
1 1 1 -30 -16 30 o 10.997  5.4865  -6.2143    59.367   -1.4005    71.749   -16.6645   105.715  11.398  5.7341  ?       ?       0.000000       5.734115 
1 1 1 -30 -16 31 o 11.899  5.8697  25.344     60.960   92.030     77.090   -85.9475   99.590   13.552  6.6690  ?       ?       0.000000       6.669019 
1 1 1 -30 -16 32 o 16.954  7.5198  140.545    61.584   118.369    83.325   167.242    91.425   14.006  6.9004  14.807  7.2819  -0.8009310     10.03203 
1 1 1 -30 -16 33 o 10.925  5.3956  -0.9450    52.040   -6.1331    66.134   7.4906     84.329   11.198  5.6166  11.752  5.9460  -0.5533934     8.179329 
1 1 1 -30 -16 34 o 15.620  7.0896  110.138    58.322   65.015     75.241   178.059    92.311   12.926  6.4027  15.064  7.3898  -2.137950      9.777726 
1 1 1 -30 -16 35 o ?       ?       170.151    136.642  149.395    347.744  173.941    148.595  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -16 36 o ?       ?       -61.3836   124.994  0.0000     0.0000   -61.3836   124.994  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -16 37 o 11.036  5.4191  3.2960     50.031   32.623     60.665   -59.0613   88.460   12.191  5.9824  ?       ?       0.000000       5.982369 
1 1 1 -30 -16 38 o 9.4613  4.7275  -37.0251   44.828   -32.9743   52.017   -48.7163   88.370   10.037  5.0264  ?       ?       0.000000       5.026403 
1 1 1 -30 -16 39 o 10.448  5.1857  -14.0540   50.305   -13.1675   62.057   -15.7528   85.910   10.926  5.4742  11.418  5.8003  -0.4929075     7.975673 
1 1 1 -30 -16 40 o 9.9128  4.9707  -34.7675   51.644   -41.2021   65.101   -23.8445   84.821   10.407  5.2616  11.229  5.7099  -0.8220282     7.764499 
1 1 1 -30 -16 41 o 11.448  5.6782  14.199     59.940   123.426    78.887   -134.9947  92.196   14.159  6.9217  ?       ?       0.000000       6.921725 
1 1 1 -30 -16 42 o 15.903  7.2724  134.643    62.842   105.055    87.592   166.025    90.209   13.180  6.5890  14.411  7.1146  -1.230697      9.697016 
1 1 1 -30 -16 43 o 17.755  7.7841  175.136    64.212   199.893    85.839   143.680    96.757   15.421  7.4650  13.396  6.7289  2.025100       10.05003 
1 1 1 -30 -16 44 o 12.473  6.1464  67.417     66.235   109.970    79.753   -27.1787   118.910  13.110  6.5104  ?       ?       0.000000       6.510377 
1 1 1 -30 -16 45 o 11.447  5.7464  37.285     70.014   67.679     83.879   -32.5408   127.137  11.894  6.0101  ?       ?       0.000000       6.010091 
1 1 1 -30 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -15 8  f ?       ?       -76.8861   12.655   0.0000     0.0000   -76.8861   12.655   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -15 9  f 7.2166  3.6550  -73.0529   32.387   0.0000     0.0000   -73.0529   32.387   ?       ?       7.2166  3.6550  0.000000       3.655034 
1 1 1 -30 -15 10 o 12.927  5.9544  44.314     43.186   0.0000     0.0000   44.314     43.186   ?       ?       12.927  5.9544  0.000000       5.954369 
1 1 1 -30 -15 11 o 12.952  6.1162  48.562     50.399   0.0000     0.0000   48.562     50.399   ?       ?       12.952  6.1162  0.000000       6.116206 
1 1 1 -30 -15 12 f 10.321  5.0930  -12.6040   46.007   0.0000     0.0000   -12.6040   46.007   ?       ?       10.321  5.0930  0.000000       5.092984 
1 1 1 -30 -15 13 o 13.968  6.4366  67.857     50.540   -59.9048   112.654  100.053    56.551   ?       ?       15.333  6.9676  0.000000       6.967590 
1 1 1 -30 -15 14 f 14.260  6.6522  80.694     56.545   232.035    123.919  40.895     63.547   14.501  7.3244  12.456  6.1146  2.044398       9.541269 
1 1 1 -30 -15 15 o 12.890  6.4004  61.789     76.993   151.754    136.167  19.510     93.348   ?       ?       12.069  6.1224  0.000000       6.122376 
1 1 1 -30 -15 16 o 13.977  6.7193  87.704     66.678   60.193     147.795  94.735     74.714   ?       ?       13.846  6.7618  0.000000       6.761798 
1 1 1 -30 -15 17 o 10.742  5.3898  -22.6139   61.222   -31.9747   114.888  -18.9015   72.351   ?       ?       11.162  5.6329  0.000000       5.632946 
1 1 1 -30 -15 18 o 10.879  5.4483  -16.7065   61.125   -122.0078  123.242  17.647     70.393   ?       ?       11.884  5.9359  0.000000       5.935949 
1 1 1 -30 -15 19 o 14.821  7.0643  114.842    70.345   301.865    158.237  68.777     78.532   ?       ?       13.065  6.4835  0.000000       6.483463 
1 1 1 -30 -15 20 o ?       ?       -61.6741   89.989   -47.3355   197.195  -65.4455   101.134  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -15 21 o 14.556  7.2692  181.472    105.369  -198.6420  231.373  280.935    118.355  ?       ?       15.651  7.7982  0.000000       7.798235 
1 1 1 -30 -15 22 o 11.387  5.6614  3.2829     60.992   -20.1111   129.655  9.9309     69.117   ?       ?       11.707  5.8526  0.000000       5.852556 
1 1 1 -30 -15 23 f 11.618  5.7692  10.693     62.575   106.315    132.893  -16.5479   70.930   ?       ?       11.189  5.6380  0.000000       5.637965 
1 1 1 -30 -15 24 o 12.871  6.3061  54.014     66.579   123.397    140.881  34.062     75.548   ?       ?       12.299  6.1441  0.000000       6.144053 
1 1 1 -30 -15 25 o ?       ?       -92.4117   61.379   -305.3241  228.286  -75.8211   63.725   ?       ?       9.8357  4.9963  0.000000       4.996301 
1 1 1 -30 -15 26 o 11.707  5.7088  19.293     52.722   57.136     72.543   -23.0702   76.754   12.867  6.3576  11.209  5.6714  1.658446       8.519571 
1 1 1 -30 -15 27 o 14.380  6.6665  80.818     55.429   -7.9181    77.371   174.380    79.446   11.477  5.7961  16.288  7.6879  -4.810801      9.627969 
1 1 1 -30 -15 28 o 16.459  7.3960  129.614    61.630   102.361    87.745   156.150    86.582   13.605  6.7683  15.007  7.3177  -1.402364      9.967874 
1 1 1 -30 -15 29 o 12.178  6.0060  31.317     63.682   24.878     80.797   41.876     103.469  12.101  6.0873  12.400  6.3055  -0.2991190     8.764394 
1 1 1 -30 -15 30 o 14.550  6.9495  105.935    68.798   53.167     86.583   196.318    113.315  12.621  6.3427  14.414  7.2455  -1.793317      9.629527 
1 1 1 -30 -15 31 o 11.491  5.6372  13.156     53.743   77.158     73.818   -59.0373   78.399   13.362  6.5657  ?       ?       0.000000       6.565741 
1 1 1 -30 -15 32 o 14.251  6.6294  78.900     55.547   23.468     74.794   147.078    82.948   12.039  6.0288  14.981  7.2728  -2.942582      9.446666 
1 1 1 -30 -15 33 o 17.186  7.6031  143.828    62.570   188.094    83.326   86.596     94.746   16.342  7.7607  13.138  6.6066  3.204483       10.19193 
1 1 1 -30 -15 34 o 9.3442  4.7084  -55.8259   49.437   -45.4645   64.687   -70.3757   76.654   10.415  5.2637  ?       ?       0.000000       5.263740 
1 1 1 -30 -15 35 o ?       ?       112.454    131.479  235.981    320.891  87.532     144.133  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -15 36 o ?       ?       -98.0460   123.064  -296.2545  333.139  -66.7240   132.431  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -15 37 o 12.343  6.0579  34.426     62.262   -34.5968   82.042   128.167    95.610   11.197  5.6859  13.992  6.9778  -2.795637      9.001059 
1 1 1 -30 -15 38 o 11.760  5.8106  16.020     60.603   -48.5797   79.168   107.448    94.184   10.902  5.5411  13.604  6.8055  -2.701371      8.775976 
1 1 1 -30 -15 39 o ?       ?       -132.0513  54.499   -78.5403   71.201   -207.7522  84.687   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -15 40 o 10.524  5.2775  -25.8198   58.238   26.380     77.892   -91.9933   87.701   12.086  6.0665  ?       ?       0.000000       6.066477 
1 1 1 -30 -15 41 o 13.639  6.5156  75.147     60.535   96.576     85.312   53.417     85.910   13.383  6.6606  12.505  6.2888  0.8781824      9.160354 
1 1 1 -30 -15 42 o 11.657  5.7424  22.223     57.657   45.275     81.998   -0.3213    81.088   12.248  6.1574  11.450  5.7973  0.7979450      8.457111 
1 1 1 -30 -15 43 o 10.181  5.1200  -28.6397   56.948   -114.6950  80.019   59.676     81.063   ?       ?       12.369  6.2059  0.000000       6.205854 
1 1 1 -30 -15 44 o 12.026  5.9798  47.163     68.122   41.409     80.175   62.100     129.184  11.833  5.9664  ?       ?       0.000000       5.966429 
1 1 1 -30 -15 45 o 11.682  5.8572  43.218     71.586   68.923     85.241   -18.2893   131.858  12.030  6.0765  ?       ?       0.000000       6.076524 
1 1 1 -30 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -14 7  o 7.7370  3.5019  -0.0148    14.112   0.0000     0.0000   -0.0148    14.112   ?       ?       7.7370  3.5019  0.000000       3.501894 
1 1 1 -30 -14 8  o 9.1856  4.4526  -13.1559   30.788   0.0000     0.0000   -13.1559   30.788   ?       ?       9.1856  4.4526  0.000000       4.452613 
1 1 1 -30 -14 9  o 13.393  6.4319  62.757     60.729   0.0000     0.0000   62.757     60.729   ?       ?       13.393  6.4319  0.000000       6.431899 
1 1 1 -30 -14 10 o 15.321  6.7280  82.989     48.142   0.0000     0.0000   82.989     48.142   ?       ?       15.321  6.7280  0.000000       6.728032 
1 1 1 -30 -14 11 o 11.498  5.5535  15.722     46.871   0.0000     0.0000   15.722     46.871   ?       ?       11.498  5.5535  0.000000       5.553481 
1 1 1 -30 -14 12 o 11.092  5.3920  6.6928     45.999   124.759    110.617  -17.9926   50.580   13.544  6.8485  10.445  5.1865  3.099181       8.590827 
1 1 1 -30 -14 13 o 11.368  5.5509  10.186     50.323   173.695    124.871  -21.5190   54.986   13.865  7.0382  10.560  5.2704  3.304491       8.792826 
1 1 1 -30 -14 14 o 13.780  6.7309  87.606     74.135   137.959    119.794  56.354     94.378   13.550  6.8800  12.736  6.4284  0.8138361      9.415816 
1 1 1 -30 -14 15 o ?       ?       -76.6628   73.266   -68.4887   125.798  -80.8586   90.129   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -14 16 o 13.611  6.5264  69.123     61.994   106.336    123.081  56.473     71.761   ?       ?       12.961  6.3889  0.000000       6.388911 
1 1 1 -30 -14 17 o 13.109  6.3876  57.724     65.633   71.368     123.856  52.397     77.393   ?       ?       12.808  6.3694  0.000000       6.369410 
1 1 1 -30 -14 18 o 11.270  5.5892  -0.8467    57.981   171.865    131.909  -42.2073   64.552   ?       ?       10.544  5.3211  0.000000       5.321100 
1 1 1 -30 -14 19 o 14.139  7.0851  146.331    104.100  -183.8310  297.102  192.538    111.146  ?       ?       14.680  7.3511  0.000000       7.351051 
1 1 1 -30 -14 20 o 12.838  6.5022  62.261     102.543  -36.3449   261.244  80.220     111.491  ?       ?       13.012  6.6098  0.000000       6.609806 
1 1 1 -30 -14 21 f 12.955  6.3549  53.275     68.231   96.343     217.112  48.555     71.873   ?       ?       12.784  6.3188  0.000000       6.318789 
1 1 1 -30 -14 22 o 14.976  7.0986  111.339    69.080   39.158     138.577  135.208    79.687   ?       ?       15.082  7.2738  0.000000       7.273770 
1 1 1 -30 -14 23 o 11.233  5.4871  6.1639     49.313   38.274     70.861   -23.9893   68.668   12.519  6.2031  11.067  5.5729  1.452021       8.338791 
1 1 1 -30 -14 24 o 11.655  5.6464  17.074     49.351   -14.9096   69.435   49.726     70.157   11.270  5.6660  12.827  6.3217  -1.557037      8.489248 
1 1 1 -30 -14 25 o 12.685  6.0901  41.381     54.359   7.0803     76.824   75.775     76.928   11.854  5.9596  13.420  6.6152  -1.566250      8.903794 
1 1 1 -30 -14 26 o 9.1830  4.6427  -69.5097   50.664   -24.7436   72.372   -112.5317  70.948   11.151  5.6281  ?       ?       0.000000       5.628062 
1 1 1 -30 -14 27 o 13.730  6.4805  66.426     56.461   119.030    77.847   8.0450     82.010   14.630  7.0888  11.922  6.0142  2.707939       9.296313 
1 1 1 -30 -14 28 o 10.865  5.3925  -10.2382   54.403   -62.8008   76.606   43.244     77.274   10.647  5.4153  12.590  6.2774  -1.942102      8.290405 
1 1 1 -30 -14 29 o ?       ?       -126.2443  61.201   -111.6222  71.005   -168.4993  120.704  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -14 30 o 14.356  6.9790  110.429    77.098   82.917     89.374   190.451    152.423  13.272  6.6380  ?       ?       0.000000       6.637987 
1 1 1 -30 -14 31 o 15.412  7.3402  138.311    75.628   93.257     101.751  193.925    113.047  13.240  6.6817  14.538  7.2986  -1.297580      9.895160 
1 1 1 -30 -14 32 o 12.962  6.2485  50.967     58.654   -1.0187    77.935   118.873    89.074   11.674  5.8857  14.044  6.9581  -2.370377      9.113532 
1 1 1 -30 -14 33 o 10.722  5.3618  -20.8858   58.211   12.541     78.574   -61.5508   86.664   11.938  6.0048  ?       ?       0.000000       6.004813 
1 1 1 -30 -14 34 o 11.000  5.4945  -13.2040   60.313   39.421     81.862   -75.6872   89.201   12.490  6.2622  ?       ?       0.000000       6.262228 
1 1 1 -30 -14 35 o ?       ?       -18.6312   114.442  -322.2112  295.733  34.837     124.112  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -14 36 o ?       ?       56.894     129.577  -111.1812  320.994  89.614     141.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -14 37 o 15.931  7.3695  127.910    67.194   -29.7570   94.289   290.613    95.783   ?       ?       18.857  8.7495  0.000000       8.749511 
1 1 1 -30 -14 38 o 9.7505  4.9216  -58.5944   55.378   -28.1017   74.090   -97.1947   83.359   11.159  5.6395  ?       ?       0.000000       5.639451 
1 1 1 -30 -14 39 o 12.446  6.0830  36.019     60.825   52.402     81.749   15.703     91.036   12.786  6.3878  12.138  6.1453  0.6478252      8.863930 
1 1 1 -30 -14 40 o 11.458  5.6891  4.7801     60.786   -131.8134  81.047   180.420    91.904   ?       ?       15.419  7.5230  0.000000       7.522956 
1 1 1 -30 -14 41 o 11.007  5.4875  -7.8825    58.959   -25.6861   80.577   12.633     86.497   11.228  5.6948  11.918  6.0292  -0.6897707     8.293477 
1 1 1 -30 -14 42 o 11.530  5.7109  13.882     59.855   -16.8701   81.987   48.977     87.586   11.298  5.7317  12.406  6.2531  -1.108342      8.482563 
1 1 1 -30 -14 43 o 11.158  5.5565  4.8367     59.723   -7.1799    84.482   16.841     84.439   11.351  5.7649  11.716  5.9305  -0.3649578     8.270706 
1 1 1 -30 -14 44 o 9.5046  4.8300  -68.3456   60.001   -61.8334   71.113   -84.4381   111.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -14 45 o 11.366  5.7126  23.376     70.292   34.748     85.694   -0.0113    122.895  11.593  5.8792  ?       ?       0.000000       5.879177 
1 1 1 -30 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -13 7  o 11.144  5.1173  16.709     31.560   0.0000     0.0000   16.709     31.560   ?       ?       11.144  5.1173  0.000000       5.117325 
1 1 1 -30 -13 8  o 13.716  6.4968  65.546     57.679   0.0000     0.0000   65.546     57.679   ?       ?       13.716  6.4968  0.000000       6.496795 
1 1 1 -30 -13 9  f 12.506  5.7957  34.972     41.839   0.0000     0.0000   34.972     41.839   ?       ?       12.506  5.7957  0.000000       5.795660 
1 1 1 -30 -13 10 o 12.502  5.9068  35.582     47.106   0.0000     0.0000   35.582     47.106   ?       ?       12.502  5.9068  0.000000       5.906757 
1 1 1 -30 -13 11 o 10.537  5.1764  -9.0933    45.820   7.7980     105.409  -13.0285   50.878   ?       ?       10.665  5.2793  0.000000       5.279323 
1 1 1 -30 -13 12 o 12.917  6.0976  44.346     50.015   49.506     109.280  42.979     56.252   ?       ?       12.770  6.1471  0.000000       6.147121 
1 1 1 -30 -13 13 o 12.943  6.1625  45.815     53.225   -63.4812   111.352  78.180     60.595   ?       ?       14.152  6.6902  0.000000       6.690188 
1 1 1 -30 -13 14 o 14.212  7.0021  113.870    85.861   203.343    142.090  62.410     107.760  ?       ?       12.880  6.5380  0.000000       6.538012 
1 1 1 -30 -13 15 o 15.106  7.0714  104.392    64.822   50.593     144.710  117.897    72.502   ?       ?       15.085  7.1853  0.000000       7.185278 
1 1 1 -30 -13 16 o 12.790  6.1362  41.966     54.957   115.560    122.744  23.514     61.462   ?       ?       12.139  5.9699  0.000000       5.969867 
1 1 1 -30 -13 17 o 11.106  5.5090  -7.6250    56.465   156.400    147.924  -35.6007   61.091   ?       ?       10.599  5.3270  0.000000       5.326989 
1 1 1 -30 -13 18 o 14.685  6.8854  89.531     61.881   202.487    138.268  61.239     69.198   ?       ?       13.303  6.4989  0.000000       6.498887 
1 1 1 -30 -13 19 o ?       ?       -30.3651   94.837   -162.5289  276.194  -12.6996   100.977  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 20 o ?       ?       -131.1272  87.407   -234.2324  275.649  -119.6012  92.163   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 21 o 9.9957  4.9821  -32.8181   48.473   -46.0343   65.199   -16.4861   72.479   10.591  5.3452  11.424  5.7493  -0.8332214     7.850190 
1 1 1 -30 -13 22 o 12.622  6.0073  36.424     50.476   75.109     72.818   0.6448     70.030   13.678  6.6789  11.725  5.8659  1.953669       8.889113 
1 1 1 -30 -13 23 o 13.255  6.2117  49.181     50.248   52.214     71.194   46.171     70.928   13.028  6.4104  12.860  6.3415  0.1677008      9.017076 
1 1 1 -30 -13 24 o 12.613  6.0428  36.696     52.890   29.053     75.368   44.111     74.239   12.421  6.1942  12.779  6.3352  -0.3587132     8.860204 
1 1 1 -30 -13 25 o 11.875  5.7881  18.138     54.000   53.779     77.361   -15.7296   75.412   12.986  6.4429  11.491  5.7931  1.495508       8.664358 
1 1 1 -30 -13 26 o 12.880  6.2167  44.816     58.491   19.100     76.007   82.159     91.592   12.181  6.0968  13.399  6.7044  -1.217999      9.061990 
1 1 1 -30 -13 27 o 11.570  5.7258  5.3988     59.707   -32.7356   80.518   51.983     88.993   11.306  5.7299  12.841  6.4506  -1.535572      8.628007 
1 1 1 -30 -13 28 o 10.960  5.5147  -28.1432   66.546   -44.9110   75.403   30.914     141.510  10.954  5.5510  ?       ?       0.000000       5.550956 
1 1 1 -30 -13 29 o 11.576  5.8119  -4.8941    71.683   15.406     81.952   -71.0138   147.903  12.127  6.1045  ?       ?       0.000000       6.104519 
1 1 1 -30 -13 30 o 12.864  6.3580  50.107     72.772   24.860     82.319   140.410    155.687  12.295  6.1798  ?       ?       0.000000       6.179826 
1 1 1 -30 -13 31 o 10.447  5.2674  -43.8676   62.440   -15.1180   81.580   -84.5323   97.023   11.572  5.8543  ?       ?       0.000000       5.854320 
1 1 1 -30 -13 32 o 13.884  6.6060  72.901     60.935   77.891     80.937   66.371     92.583   13.428  6.6493  13.015  6.5430  0.4135733      9.328690 
1 1 1 -30 -13 33 o 11.906  5.8615  18.057     59.790   18.758     80.512   17.195     89.275   12.154  6.1092  12.193  6.1644  -0.3905964E-01 8.678825 
1 1 1 -30 -13 34 f ?       ?       37.511     113.329  -99.2509   253.985  71.509     126.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 35 o ?       ?       54.911     115.948  92.715     260.354  45.559     129.499  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 36 o 14.016  7.1273  184.592    132.207  -122.0713  277.751  274.425    150.329  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 37 o 11.014  5.5136  -19.7884   62.310   -3.9657    86.193   -37.1098   90.182   11.891  6.0161  ?       ?       0.000000       6.016093 
1 1 1 -30 -13 38 o 9.3160  4.7302  -87.5083   56.660   -46.5483   75.154   -141.4513  86.246   10.943  5.5451  ?       ?       0.000000       5.545141 
1 1 1 -30 -13 39 o 11.233  5.5975  -8.3026    61.053   22.398     81.658   -47.2174   91.936   12.276  6.1684  ?       ?       0.000000       6.168386 
1 1 1 -30 -13 40 o 11.523  5.7249  3.4831     61.934   -30.5876   84.232   43.580     91.379   11.377  5.7760  12.619  6.3638  -1.241674      8.594151 
1 1 1 -30 -13 41 o 11.507  5.6882  8.3361     58.306   -86.2882   81.653   106.782    83.286   ?       ?       13.959  6.8811  0.000000       6.881148 
1 1 1 -30 -13 42 o 13.383  6.4424  67.524     61.808   61.005     86.394   74.359     88.462   12.736  6.3920  12.965  6.5016  -0.2291098     9.117458 
1 1 1 -30 -13 43 o ?       ?       -86.9074   66.776   -121.5785  78.158   6.8143     128.501  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 44 o 10.291  5.2253  -47.6231   69.126   -60.7729   81.486   -13.8714   130.549  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -13 45 o 11.110  5.5488  12.246     61.461   44.843     86.259   -21.3679   87.595   11.831  5.9891  ?       ?       0.000000       5.989123 
1 1 1 -30 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -12 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -12 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -12 6  o 6.2581  3.1309  -39.9408   19.950   0.0000     0.0000   -39.9408   19.950   ?       ?       6.2581  3.1309  0.000000       3.130908 
1 1 1 -30 -12 7  o 9.3444  4.5081  -10.9265   30.672   0.0000     0.0000   -10.9265   30.672   ?       ?       9.3444  4.5081  0.000000       4.508080 
1 1 1 -30 -12 8  o 11.109  5.4429  0.4320     49.598   0.0000     0.0000   0.4320     49.598   ?       ?       11.109  5.4429  0.000000       5.442940 
1 1 1 -30 -12 9  o 9.0213  4.4812  -35.9016   37.880   0.0000     0.0000   -35.9016   37.880   ?       ?       9.0213  4.4812  0.000000       4.481224 
1 1 1 -30 -12 10 o 18.252  7.4511  123.803    52.194   161.794    113.895  113.704    58.723   14.258  7.1794  16.321  7.2846  -2.063606      10.22785 
1 1 1 -30 -12 11 o 7.5962  3.8599  -90.4876   38.266   -155.2753  92.374   -77.0666   42.043   ?       ?       8.3062  4.2022  0.000000       4.202247 
1 1 1 -30 -12 12 o 10.652  5.2672  -14.2816   50.121   -70.0820   109.278  0.5839     56.403   ?       ?       11.374  5.6174  0.000000       5.617425 
1 1 1 -30 -12 13 o ?       ?       -99.0241   70.927   -106.2500  106.546  -93.2736   95.048   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 14 o 11.603  5.7790  -0.5226    64.741   -44.0820   134.468  12.621     73.865   ?       ?       12.083  6.0422  0.000000       6.042229 
1 1 1 -30 -12 15 o 9.7787  4.9050  -47.0022   50.482   -162.6481  114.011  -18.8000   56.302   ?       ?       10.850  5.4016  0.000000       5.401634 
1 1 1 -30 -12 16 o 11.623  5.6861  9.2275     53.517   -275.5411  123.375  75.228     59.396   ?       ?       14.284  6.7130  0.000000       6.712992 
1 1 1 -30 -12 17 o 14.824  6.9087  87.491     60.769   -121.4726  138.589  137.232    67.616   ?       ?       16.728  7.6084  0.000000       7.608425 
1 1 1 -30 -12 18 o 11.901  6.0442  -18.5180   92.879   -132.9007  282.801  -4.6886    98.334   ?       ?       12.163  6.1811  0.000000       6.181091 
1 1 1 -30 -12 19 o 11.395  5.7957  -48.3190   87.837   -509.5629  275.207  3.9964     92.685   ?       ?       12.233  6.1946  0.000000       6.194551 
1 1 1 -30 -12 20 o 10.945  5.5100  -35.7640   66.835   -201.7960  284.963  -26.0992   68.752   ?       ?       11.213  5.6376  0.000000       5.637586 
1 1 1 -30 -12 21 o 12.294  5.8934  26.762     50.479   -11.1107   72.754   61.920     70.098   11.639  5.8451  13.483  6.5768  -1.843661      8.798831 
1 1 1 -30 -12 22 o 10.171  5.0643  -31.4838   49.571   7.7382     68.216   -75.3722   72.159   11.961  5.9533  10.466  5.3166  1.494901       7.981713 
1 1 1 -30 -12 23 o 10.322  5.1530  -32.9530   52.742   -77.5690   71.975   18.788     77.509   10.418  5.2940  12.336  6.1717  -1.917958      8.131196 
1 1 1 -30 -12 24 o 11.335  5.5792  -0.5261    54.065   -9.5153    71.910   11.162     81.997   11.634  5.8382  12.222  6.1460  -0.5872631     8.476872 
1 1 1 -30 -12 25 o 9.5299  4.8235  -75.8239   55.806   -28.5835   78.021   -125.3105  79.854   11.420  5.7727  ?       ?       0.000000       5.772652 
1 1 1 -30 -12 26 o 12.293  5.9926  26.030     57.930   -20.4351   77.716   84.128     86.902   11.538  5.8246  13.667  6.7888  -2.129480      8.945010 
1 1 1 -30 -12 27 o 13.812  6.6189  69.064     63.553   74.374     86.173   62.732     94.104   13.438  6.6887  13.117  6.5947  0.3207073      9.393036 
1 1 1 -30 -12 28 o 13.498  6.6491  71.228     77.292   65.061     88.916   90.301     156.355  13.184  6.5982  ?       ?       0.000000       6.598169 
1 1 1 -30 -12 29 o 13.664  6.7188  78.492     77.744   50.432     90.712   156.135    150.891  12.878  6.4748  ?       ?       0.000000       6.474776 
1 1 1 -30 -12 30 o 10.137  5.1330  -66.2897   63.680   -92.9214   82.640   -27.3632   99.911   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 31 o 16.554  7.4983  131.077    64.843   75.890     87.150   199.518    97.052   13.375  6.6686  15.896  7.7504  -2.521084      10.22440 
1 1 1 -30 -12 32 o 14.433  6.8264  85.937     63.228   76.694     85.849   96.895     93.473   13.401  6.6714  13.670  6.8298  -0.2689886     9.547444 
1 1 1 -30 -12 33 o 10.853  5.4446  -26.9341   62.333   -25.3978   88.568   -28.4418   87.742   11.612  5.8978  11.553  5.8679  0.5939960E-01  8.319630 
1 1 1 -30 -12 34 o ?       ?       51.074     114.539  225.928    258.898  8.5225     127.717  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 35 o ?       ?       -87.5947   107.632  -336.1475  252.632  -32.4738   118.970  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 36 o 9.9816  5.0494  -66.0586   60.625   -73.0786   77.595   -55.0592   97.130   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 37 o 12.116  5.9905  18.496     64.804   69.457     82.598   -63.0953   104.514  13.375  6.6395  ?       ?       0.000000       6.639477 
1 1 1 -30 -12 38 o 10.532  5.3121  -47.4726   63.844   -91.0563   81.007   23.984     103.724  ?       ?       12.521  6.3617  0.000000       6.361734 
1 1 1 -30 -12 39 o 11.438  5.7155  -8.0424    65.599   -80.3701   83.370   109.530    106.294  ?       ?       13.699  6.9029  0.000000       6.902904 
1 1 1 -30 -12 40 o 13.154  6.4374  56.377     68.794   -28.1562   87.768   191.054    110.782  11.555  5.8691  14.856  7.4244  -3.301245      9.464072 
1 1 1 -30 -12 41 o 10.552  5.3092  -36.5516   61.600   -69.8704   80.925   9.3504     94.985   ?       ?       12.105  6.1443  0.000000       6.144339 
1 1 1 -30 -12 42 o 11.797  5.8497  16.344     63.448   -0.9484    83.363   40.154     97.818   11.718  5.9272  12.430  6.3014  -0.7120180     8.650950 
1 1 1 -30 -12 43 o ?       ?       -54.0459   77.355   -114.4014  85.442   220.266    182.152  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -12 44 o 10.862  5.5112  -27.4226   75.933   -8.9828    84.995   -100.3232  168.998  11.305  5.7452  ?       ?       0.000000       5.745219 
1 1 1 -30 -12 45 o 16.656  7.5844  169.338    67.442   214.090    87.269   102.980    106.268  15.628  7.5555  ?       ?       0.000000       7.555520 
1 1 1 -30 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -11 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -11 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -11 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -11 6  f 12.414  5.5504  31.109     34.251   0.0000     0.0000   31.109     34.251   ?       ?       12.414  5.5504  0.000000       5.550436 
1 1 1 -30 -11 7  o 11.660  5.6823  11.859     51.975   0.0000     0.0000   11.859     51.975   ?       ?       11.660  5.6823  0.000000       5.682274 
1 1 1 -30 -11 8  f 13.036  5.9904  41.650     43.360   0.0000     0.0000   41.650     43.360   ?       ?       13.036  5.9904  0.000000       5.990375 
1 1 1 -30 -11 9  o 15.339  6.6827  76.926     46.670   185.761    91.269   38.393     54.307   16.116  7.7752  12.745  6.1107  3.370296       9.889117 
1 1 1 -30 -11 10 o 11.050  5.3765  1.3276     46.022   5.4387     100.354  0.2327     51.789   12.280  6.2408  11.251  5.5225  1.028477       8.333400 
1 1 1 -30 -11 11 o 13.335  6.3043  50.653     53.826   -26.0993   111.805  73.809     61.412   ?       ?       14.138  6.6989  0.000000       6.698858 
1 1 1 -30 -11 12 o 23.068  8.5247  206.732    63.130   381.886    150.805  169.515    69.514   15.956  8.0623  18.320  8.0637  -2.363087      11.40277 
1 1 1 -30 -11 13 o 13.413  6.5514  59.813     70.233   33.137     143.427  68.227     80.551   ?       ?       13.478  6.6668  0.000000       6.666802 
1 1 1 -30 -11 14 o 13.579  6.4316  55.713     56.504   238.910    149.902  25.373     61.004   ?       ?       12.378  6.0585  0.000000       6.058450 
1 1 1 -30 -11 15 o 11.006  5.4512  -13.3152   54.503   143.167    125.855  -49.4366   60.467   14.017  7.1102  10.399  5.2359  3.617474       8.830026 
1 1 1 -30 -11 16 o 16.322  6.8912  86.634     46.823   66.078     68.150   105.013    64.440   13.750  6.6551  15.573  7.2083  -1.822088      9.810725 
1 1 1 -30 -11 17 o 19.643  7.5743  130.404    51.068   65.567     77.832   179.420    67.673   13.565  6.6803  19.647  8.2892  -6.081261      10.64600 
1 1 1 -30 -11 18 o 13.812  6.9737  104.359    111.675  0.0000     0.0000   104.359    111.675  ?       ?       13.812  6.9737  0.000000       6.973749 
1 1 1 -30 -11 19 f 15.825  7.8259  215.254    110.751  523.277    301.572  167.235    119.071  ?       ?       14.603  7.3517  0.000000       7.351680 
1 1 1 -30 -11 20 o 9.9305  4.9780  -47.8317   51.597   -36.9965   67.855   -62.6853   79.447   11.044  5.5588  11.033  5.6018  0.1179123E-01  7.891757 
1 1 1 -30 -11 21 o 10.816  5.3744  -21.6513   54.662   0.1677     72.047   -51.2477   83.911   11.965  5.9808  11.347  5.7610  0.6182528      8.304121 
1 1 1 -30 -11 22 o 17.887  7.7338  136.473    61.555   145.293    84.851   126.675    89.435   15.677  7.5471  14.867  7.2892  0.8094864      10.49247 
1 1 1 -30 -11 23 o 16.087  7.2473  104.995    59.620   124.166    79.359   80.152     90.336   15.314  7.3541  13.722  6.8332  1.592236       10.03875 
1 1 1 -30 -11 24 f 18.437  7.8796  147.399    62.507   194.003    84.415   90.831     93.003   17.483  8.1461  13.877  6.9142  3.605434       10.68482 
1 1 1 -30 -11 25 o 12.028  5.9092  13.957     59.726   -49.3757   82.081   85.221     87.070   11.283  5.7252  13.852  6.8659  -2.569512      8.939684 
1 1 1 -30 -11 26 o 12.092  5.9651  14.696     62.960   46.150     90.164   -15.2356   87.955   12.980  6.5168  11.925  6.0379  1.055150       8.883931 
1 1 1 -30 -11 27 o 10.398  5.2154  -40.4344   57.048   23.711     77.899   -114.6284  83.778   12.476  6.2336  ?       ?       0.000000       6.233640 
1 1 1 -30 -11 28 o 13.146  6.5248  54.448     79.672   -4.2638    90.966   247.817    165.086  12.091  6.1237  ?       ?       0.000000       6.123737 
1 1 1 -30 -11 29 o 13.471  6.6713  69.992     81.563   22.337     92.720   233.029    171.500  12.496  6.3147  ?       ?       0.000000       6.314677 
1 1 1 -30 -11 30 o 17.812  7.8643  153.710    66.611   185.337    84.589   102.087    108.072  16.819  7.9367  13.627  6.8779  3.191832       10.50222 
1 1 1 -30 -11 31 o 11.271  5.6393  -15.3799   64.815   -57.6081   85.091   42.985     100.037  ?       ?       12.793  6.4733  0.000000       6.473277 
1 1 1 -30 -11 32 o 12.663  6.2097  36.880     65.004   12.369     83.296   75.060     103.958  12.205  6.1450  13.232  6.6865  -1.027117      9.081319 
1 1 1 -30 -11 33 o ?       ?       -153.3011  61.468   -135.2315  79.182   -180.7045  97.511   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -11 34 o ?       ?       151.277    133.707  0.0000     0.0000   151.277    133.707  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -11 35 o ?       ?       -36.3232   110.682  -436.2612  257.768  54.083     122.555  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -11 36 o 12.063  5.9851  14.328     66.785   113.173    87.110   -126.6257  104.023  14.368  7.0742  ?       ?       0.000000       7.074158 
1 1 1 -30 -11 37 o 12.583  6.1914  32.121     66.401   70.359     84.969   -27.8597   106.420  13.442  6.6828  ?       ?       0.000000       6.682848 
1 1 1 -30 -11 38 f 14.813  7.0561  99.527     69.944   109.863    89.992   83.758     111.158  14.246  7.0467  13.379  6.7754  0.8675852      9.775635 
1 1 1 -30 -11 39 o 10.732  5.4029  -40.1564   64.328   -42.5753   81.169   -36.0713   105.484  11.284  5.7225  ?       ?       0.000000       5.722484 
1 1 1 -30 -11 40 o 11.174  5.5894  -16.8671   63.448   -63.9528   83.204   48.561     98.080   ?       ?       12.855  6.4960  0.000000       6.495965 
1 1 1 -30 -11 41 o 12.977  6.3393  50.115     65.796   -4.4231    85.961   127.266    102.241  11.866  6.0038  13.992  7.0131  -2.126120      9.231918 
1 1 1 -30 -11 42 o 13.127  6.4099  59.496     67.090   47.127     87.596   77.047     104.345  12.631  6.3521  12.996  6.5800  -0.3650961     9.145786 
1 1 1 -30 -11 43 o ?       ?       -170.1752  69.414   -138.7407  76.908   -308.3026  161.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -11 44 o 12.374  6.2221  53.877     83.900   18.070     92.627   217.507    198.007  11.802  5.9979  ?       ?       0.000000       5.997926 
1 1 1 -30 -11 45 o 13.323  6.4729  86.752     66.048   60.866     83.201   130.863    108.608  12.242  6.1607  12.883  6.5421  -0.6410971     8.986278 
1 1 1 -30 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -10 5  o 7.9752  3.9030  -24.4792   25.292   0.0000     0.0000   -24.4792   25.292   ?       ?       7.9752  3.9030  0.000000       3.903018 
1 1 1 -30 -10 6  o 13.052  6.1977  43.590     53.119   0.0000     0.0000   43.590     53.119   ?       ?       13.052  6.1977  0.000000       6.197697 
1 1 1 -30 -10 7  o 11.695  5.5227  18.341     41.093   0.0000     0.0000   18.341     41.093   ?       ?       11.695  5.5227  0.000000       5.522705 
1 1 1 -30 -10 8  o 10.631  5.0832  2.0592     37.028   -51.9235   77.968   17.780     42.075   11.064  5.6105  11.698  5.5433  -0.6342220     7.887121 
1 1 1 -30 -10 9  o 19.734  7.6872  138.114    53.016   176.072    103.169  124.493    61.800   15.225  7.5332  16.867  7.5046  -1.642963      10.63336 
1 1 1 -30 -10 10 o 12.729  6.0524  35.581     50.995   96.886     107.952  17.972     57.858   13.659  6.8917  12.095  5.9157  1.564248       9.082488 
1 1 1 -30 -10 11 o 13.347  6.2325  47.187     49.836   158.881    116.429  22.132     55.143   14.458  7.2776  12.215  5.9299  2.243045       9.387618 
1 1 1 -30 -10 12 o 10.194  5.1324  -53.7425   58.108   -17.3552   111.372  -67.3527   68.113   ?       ?       10.465  5.3002  0.000000       5.300167 
1 1 1 -30 -10 13 o 13.522  6.6547  62.285     76.815   52.303     152.946  65.653     88.831   ?       ?       13.455  6.7124  0.000000       6.712384 
1 1 1 -30 -10 14 o 19.049  7.4089  118.854    49.189   165.197    70.610   75.161     68.562   18.237  8.0722  14.153  6.8066  4.083741       10.55886 
1 1 1 -30 -10 15 o 20.250  7.7495  140.472    53.188   102.006    75.089   179.206    75.350   14.886  7.1497  18.296  8.2024  -3.409920      10.88105 
1 1 1 -30 -10 16 o 27.793  7.9604  215.998    56.428   316.987    84.847   135.905    75.561   24.959  9.7241  16.212  7.6036  8.746662       12.34393 
1 1 1 -30 -10 17 o 15.410  7.0100  87.331     57.434   103.907    77.445   67.073     85.617   14.897  7.1810  13.640  6.7691  1.256469       9.868511 
1 1 1 -30 -10 18 o 14.018  6.9709  88.379     92.643   -179.1682  283.946  120.253    98.007   ?       ?       14.568  7.2316  0.000000       7.231561 
1 1 1 -30 -10 19 o ?       ?       -51.2566   96.602   106.658    282.877  -72.1041   102.781  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -10 20 f 15.174  6.9730  84.365     58.761   155.988    78.846   -5.1144    88.129   16.830  7.8522  12.264  6.1924  4.565986       10.00013 
1 1 1 -30 -10 21 o 12.742  6.1697  30.923     58.724   -31.4817   79.614   105.390    86.969   11.627  5.8728  14.583  7.1575  -2.955448      9.258493 
1 1 1 -30 -10 22 o 14.182  6.6794  65.776     59.383   11.550     79.326   134.899    89.563   12.431  6.2225  15.263  7.4424  -2.832050      9.700975 
1 1 1 -30 -10 23 o 15.240  7.0353  89.002     60.778   108.087    83.400   67.387     88.756   14.757  7.1926  13.604  6.7743  1.152337       9.880519 
1 1 1 -30 -10 24 o 24.570  8.9870  242.915    69.887   237.929    97.069   248.282    100.700  17.799  8.4300  17.714  8.4458  0.8478355E-01  11.93305 
1 1 1 -30 -10 25 o 21.293  8.4791  191.429    65.764   203.009    88.682   177.279    98.029   17.483  8.2117  15.818  7.7290  1.664948       11.27694 
1 1 1 -30 -10 26 o 14.362  6.7600  73.008     60.648   92.762     82.448   49.716     89.528   14.256  6.9914  13.155  6.5890  1.100991       9.607018 
1 1 1 -30 -10 27 o 16.754  7.7682  151.110    75.308   186.740    84.771   17.728     164.018  17.184  8.0577  ?       ?       0.000000       8.057749 
1 1 1 -30 -10 28 o 11.918  5.9614  -0.4379    72.199   -11.5065   79.675   50.376     170.714  11.854  5.9734  ?       ?       0.000000       5.973390 
1 1 1 -30 -10 29 o 12.338  6.1472  18.295     73.515   -1.4543    82.489   94.539     162.077  12.061  6.0777  ?       ?       0.000000       6.077743 
1 1 1 -30 -10 30 o 13.887  6.6941  70.894     67.300   -5.8890    90.630   165.278    100.483  12.092  6.1231  15.137  7.4796  -3.044851      9.666290 
1 1 1 -30 -10 31 o 14.806  7.0615  99.697     70.517   148.029    94.038   37.598     106.591  15.022  7.3870  12.797  6.4967  2.224932       9.837384 
1 1 1 -30 -10 32 o 17.241  7.8603  159.151    72.715   170.988    97.937   144.610    108.549  15.348  7.5457  14.357  7.2000  0.9915705      10.42962 
1 1 1 -30 -10 33 o 14.494  7.3304  191.101    127.194  293.260    271.687  162.425    143.943  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -10 34 o 15.301  7.6884  247.015    126.954  577.006    292.285  170.282    140.944  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -10 35 o ?       ?       -104.0101  106.316  -641.5588  253.419  10.808     117.121  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -10 36 o 17.437  7.9231  163.122    73.105   142.376    95.163   192.992    114.192  14.842  7.3238  15.031  7.5157  -0.1893177     10.49395 
1 1 1 -30 -10 37 o 17.718  7.9979  166.907    73.030   156.557    96.000   181.125    112.517  15.196  7.4709  14.945  7.4709  0.2506485      10.56550 
1 1 1 -30 -10 38 o 11.894  5.9288  2.4295     68.732   -0.0367    87.266   6.4592     111.549  12.167  6.1458  ?       ?       0.000000       6.145759 
1 1 1 -30 -10 39 o 13.155  6.4820  51.085     73.618   85.217     87.963   -28.7178   134.502  13.787  6.8450  ?       ?       0.000000       6.845006 
1 1 1 -30 -10 40 o 10.343  5.2174  -53.1462   61.690   14.073     81.630   -142.6606  94.200   12.271  6.1658  ?       ?       0.000000       6.165750 
1 1 1 -30 -10 41 o 11.966  5.9356  13.604     65.556   53.809     86.025   -42.0852   101.245  12.963  6.4877  ?       ?       0.000000       6.487695 
1 1 1 -30 -10 42 o 19.717  8.8616  277.034    88.536   176.294    97.903   729.235    207.424  15.070  7.4349  ?       ?       0.000000       7.434899 
1 1 1 -30 -10 43 o 11.135  5.6477  -29.8182   79.183   -34.6096   87.990   -9.4111    181.589  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -10 44 o 10.877  5.4755  -16.1635   66.004   20.735     88.082   -63.4146   99.676   11.855  6.0065  ?       ?       0.000000       6.006482 
1 1 1 -30 -10 45 o 12.201  6.0299  48.743     65.401   88.345     87.816   -0.5791    98.002   12.705  6.3856  ?       ?       0.000000       6.385610 
1 1 1 -30 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -9  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -9  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -9  4  o 9.0068  4.3796  -18.3195   30.415   0.0000     0.0000   -18.3195   30.415   ?       ?       9.0068  4.3796  0.000000       4.379630 
1 1 1 -30 -9  5  f 12.399  5.5941  29.858     35.675   0.0000     0.0000   29.858     35.675   ?       ?       12.399  5.5941  0.000000       5.594084 
1 1 1 -30 -9  6  o 17.557  7.9314  160.582    71.987   0.0000     0.0000   160.582    71.987   ?       ?       17.557  7.9314  0.000000       7.931360 
1 1 1 -30 -9  7  o 14.998  6.3976  63.801     41.063   -0.3081    83.751   84.089     47.114   12.119  6.1092  16.053  6.8503  -3.934288      9.178786 
1 1 1 -30 -9  8  o 20.554  7.6824  140.543    51.559   220.945    99.761   111.240    60.227   16.728  8.0850  16.366  7.3357  0.3615360      10.91697 
1 1 1 -30 -9  9  o 10.182  4.9668  -13.1382   39.996   -43.7622   93.713   -6.3175    44.227   ?       ?       10.748  5.2385  0.000000       5.238462 
1 1 1 -30 -9  10 o 12.712  5.9957  33.498     48.168   -18.6523   111.140  45.559     53.449   ?       ?       13.274  6.2775  0.000000       6.277547 
1 1 1 -30 -9  11 o 18.355  7.6311  127.730    56.088   200.917    124.613  109.136    62.810   15.017  7.5548  16.091  7.3241  -1.074045      10.52219 
1 1 1 -30 -9  12 o 12.915  6.0825  36.255     49.238   25.268     58.443   63.130     91.403   12.501  6.0769  13.479  6.7371  -0.9776621     9.072837 
1 1 1 -30 -9  13 o 18.506  7.3780  113.470    49.845   192.541    75.276   51.731     66.517   19.219  8.4271  13.465  6.5309  5.754819       10.66153 
1 1 1 -30 -9  14 o 17.603  7.2584  103.969    50.152   116.364    73.184   92.995     68.865   15.695  7.3990  14.994  7.1013  0.7006664      10.25544 
1 1 1 -30 -9  15 o 23.692  8.1681  181.591    56.955   260.125    81.302   105.908    79.812   22.313  9.2248  14.965  7.2327  7.347909       11.72215 
1 1 1 -30 -9  16 o 10.046  4.9886  -34.3741   46.776   -49.5934   67.800   -20.5499   64.618   10.918  5.5031  11.415  5.6994  -0.4963017     7.922579 
1 1 1 -30 -9  17 o 15.393  7.4418  124.820    84.647   40.659     283.075  133.084    88.705   ?       ?       15.428  7.4968  0.000000       7.496838 
1 1 1 -30 -9  18 o ?       ?       -71.5876   94.428   283.516    279.637  -117.2905  100.320  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -9  19 o 14.361  6.7299  66.075     58.990   24.375     79.397   117.458    88.134   12.831  6.3921  15.038  7.3439  -2.207447      9.736074 
1 1 1 -30 -9  20 o 9.8713  4.9770  -67.6251   55.715   -34.7247   74.039   -110.5783  84.598   11.482  5.7826  ?       ?       0.000000       5.782647 
1 1 1 -30 -9  21 o 10.477  5.2425  -42.1749   56.022   -31.3270   74.824   -56.0143   84.513   11.568  5.8241  11.463  5.8159  0.1047182      8.230711 
1 1 1 -30 -9  22 o 15.275  7.0926  89.612     63.105   120.079    83.592   49.242     96.223   15.292  7.3934  13.343  6.7032  1.948923       9.979681 
1 1 1 -30 -9  23 o 14.569  6.8303  73.128     60.871   118.394    81.488   15.980     91.560   15.317  7.3794  12.727  6.4125  2.589650       9.776231 
1 1 1 -30 -9  24 o 26.230  9.0516  256.713    69.950   280.679    96.024   229.614    102.106  19.921  9.0629  17.197  8.2791  2.723608       12.27521 
1 1 1 -30 -9  25 o 16.538  7.4326  113.448    62.278   98.634     85.195   130.448    91.266   14.487  7.1053  15.103  7.3961  -0.6153622     10.25614 
1 1 1 -30 -9  26 o 11.357  5.6042  -7.3329    55.744   60.903     73.900   -97.4122   84.908   13.649  6.6779  ?       ?       0.000000       6.677919 
1 1 1 -30 -9  27 o 15.013  7.2347  109.976    78.442   137.192    88.343   8.5597     170.533  15.332  7.4572  ?       ?       0.000000       7.457203 
1 1 1 -30 -9  28 o 10.681  5.3958  -55.6606   67.366   -76.5076   72.914   65.903     176.072  10.578  5.3706  ?       ?       0.000000       5.370639 
1 1 1 -30 -9  29 o 13.041  6.3732  42.720     66.748   -43.4805   95.665   124.496    93.177   ?       ?       14.662  7.2373  0.000000       7.237259 
1 1 1 -30 -9  30 o 12.045  5.9629  10.348     64.934   56.181     90.141   -39.0892   93.619   13.221  6.6205  ?       ?       0.000000       6.620547 
1 1 1 -30 -9  31 o 11.276  5.6521  -21.7879   66.423   27.851     93.628   -72.0848   94.247   12.692  6.4055  ?       ?       0.000000       6.405490 
1 1 1 -30 -9  32 o 15.110  7.1593  105.050    70.134   83.612     96.116   129.463    102.567  13.633  6.8281  14.353  7.1687  -0.7203970     9.900168 
1 1 1 -30 -9  33 o ?       ?       81.670     123.084  661.503    274.653  -64.0438   137.684  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -9  34 o ?       ?       -135.5545  104.545  -136.2086  251.510  -135.4179  114.946  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -9  35 o 13.722  6.6589  66.762     69.379   33.546     89.729   116.140    109.402  12.761  6.4188  13.960  7.0305  -1.199193      9.519932 
1 1 1 -30 -9  36 o 11.491  5.7425  -12.3078   66.281   5.8449     84.827   -40.7639   106.206  12.248  6.1709  ?       ?       0.000000       6.170890 
1 1 1 -30 -9  37 o 12.947  6.3763  40.332     70.937   -10.1842   89.441   125.987    116.466  12.082  6.1143  14.042  7.0938  -1.960015      9.365147 
1 1 1 -30 -9  38 o 11.298  5.6941  -32.5133   72.490   -0.6752    84.962   -117.7051  138.980  12.176  6.1399  ?       ?       0.000000       6.139932 
1 1 1 -30 -9  39 o 12.964  6.3408  41.217     66.473   40.096     81.975   43.370     113.588  12.915  6.4438  12.962  6.5925  -0.4668713E-01 9.218706 
1 1 1 -30 -9  40 o 12.686  6.2420  34.105     67.477   -5.0593    89.135   86.676     103.270  12.084  6.1139  13.551  6.8253  -1.467522      9.163181 
1 1 1 -30 -9  41 o 11.995  5.9315  14.420     63.589   -47.1178   87.102   84.648     93.049   11.345  5.7704  13.546  6.7746  -2.200950      8.898987 
1 1 1 -30 -9  42 o 12.699  6.3670  45.163     84.626   5.7579     94.352   207.289    191.382  12.086  6.1334  ?       ?       0.000000       6.133363 
1 1 1 -30 -9  43 f 12.372  6.2221  37.872     84.135   23.178     93.485   100.506    193.004  12.153  6.1609  ?       ?       0.000000       6.160897 
1 1 1 -30 -9  44 o 10.938  5.4972  -12.6620   65.051   28.799     85.129   -70.8494   100.849  11.989  6.0577  ?       ?       0.000000       6.057746 
1 1 1 -30 -9  45 o 11.498  5.7515  20.744     67.220   -28.7477   87.186   93.284     105.552  ?       ?       12.502  6.3584  0.000000       6.358395 
1 1 1 -30 -8  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -8  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -8  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -8  4  o 12.813  5.7431  34.685     36.915   0.0000     0.0000   34.685     36.915   ?       ?       12.813  5.7431  0.000000       5.743104 
1 1 1 -30 -8  5  o 9.6122  4.7827  -37.9373   43.888   0.0000     0.0000   -37.9373   43.888   ?       ?       9.6122  4.7827  0.000000       4.782742 
1 1 1 -30 -8  6  o 12.575  5.7661  31.493     39.880   -36.3726   136.574  37.819     41.697   ?       ?       12.990  5.9339  0.000000       5.933932 
1 1 1 -30 -8  7  o 13.478  6.1404  45.656     44.277   42.221     92.646   46.673     50.406   13.014  6.5429  13.393  6.2588  -0.3794584     9.054392 
1 1 1 -30 -8  8  o 14.204  6.3015  54.988     43.271   0.3501     95.243   69.199     48.573   12.377  6.2686  14.885  6.6358  -2.508341      9.128445 
1 1 1 -30 -8  9  o 15.951  6.9256  84.706     49.778   71.430     109.126  88.194     55.936   13.475  6.8129  15.563  7.0146  -2.087687      9.778609 
1 1 1 -30 -8  10 o 11.222  5.4894  -3.8256    49.864   -216.5157  206.872  9.2938     51.379   ?       ?       11.776  5.7181  0.000000       5.718141 
1 1 1 -30 -8  11 o 11.568  5.6311  3.9209     50.637   -31.8933   63.006   69.247     85.094   11.051  5.5341  13.769  6.8179  -2.717504      8.781240 
1 1 1 -30 -8  12 o 12.268  5.9523  17.838     55.368   38.360     64.784   -37.7735   106.643  13.096  6.3736  ?       ?       0.000000       6.373637 
1 1 1 -30 -8  13 o 16.244  7.1483  93.253     54.596   57.042     77.020   129.826    77.403   13.640  6.7029  16.062  7.5835  -2.422421      10.12122 
1 1 1 -30 -8  14 o 13.705  6.3924  48.775     52.185   46.331     71.938   51.490     75.815   13.405  6.5649  13.531  6.6498  -0.1267900     9.344366 
1 1 1 -30 -8  15 o 15.802  7.0759  87.252     55.888   5.6319     84.442   150.875    74.553   12.554  6.3033  17.405  7.9443  -4.850867      10.14117 
1 1 1 -30 -8  16 o 14.609  6.7505  66.832     56.149   47.730     77.408   88.044     81.570   13.481  6.6432  14.543  7.0939  -1.062180      9.718839 
1 1 1 -30 -8  17 o 14.459  7.2041  103.480    100.955  -98.0885   284.497  132.518    107.982  ?       ?       14.851  7.4073  0.000000       7.407268 
1 1 1 -30 -8  18 o 11.957  6.0716  -45.3547   93.540   -237.2060  282.482  -21.7271   99.133   ?       ?       12.396  6.2905  0.000000       6.290505 
1 1 1 -30 -8  19 o 14.489  6.7458  65.107     57.697   37.097     76.443   102.186    87.954   13.234  6.5365  14.787  7.2455  -1.552853      9.758221 
1 1 1 -30 -8  20 o 17.523  7.6930  124.872    62.911   123.644    82.249   126.604    97.662   15.686  7.5204  15.064  7.4306  0.6224413      10.57216 
1 1 1 -30 -8  21 o 9.3978  4.7577  -88.0974   54.487   -78.6377   69.351   -103.3547  88.075   10.540  5.3393  ?       ?       0.000000       5.339329 
1 1 1 -30 -8  22 o 15.674  7.1774  92.467     61.498   52.111     79.572   152.329    96.912   13.578  6.6994  15.683  7.6678  -2.105358      10.18217 
1 1 1 -30 -8  23 o 18.710  8.1505  160.717    69.402   215.803    94.128   95.099     102.734  17.839  8.4042  14.195  7.1023  3.643640       11.00329 
1 1 1 -30 -8  24 o 11.236  5.5809  -19.2676   58.716   -78.2794   74.251   79.224     95.925   10.741  5.4498  13.954  6.9634  -3.212788      8.842478 
1 1 1 -30 -8  25 o 14.363  6.7417  67.079     59.588   101.872    80.293   24.421     88.905   14.874  7.2050  12.883  6.4684  1.991042       9.682589 
1 1 1 -30 -8  26 o 15.420  7.3243  110.197    74.310   157.418    82.334   -97.2360   172.565  16.647  7.8481  ?       ?       0.000000       7.848071 
1 1 1 -30 -8  27 o 12.467  6.2202  13.739     76.359   -6.5361    83.916   111.342    184.119  12.184  6.1388  ?       ?       0.000000       6.138848 
1 1 1 -30 -8  28 o 13.366  6.6504  54.429     84.814   134.486    95.824   -235.1435  182.244  14.951  7.3724  ?       ?       0.000000       7.372353 
1 1 1 -30 -8  29 o 22.713  8.8831  227.468    71.014   233.952    98.334   220.401    102.662  17.487  8.3398  16.654  8.0862  0.8324280      11.61636 
1 1 1 -30 -8  30 o 14.028  6.7026  68.135     64.126   108.177    85.153   15.677     97.465   14.597  7.1475  12.607  6.3803  1.989939       9.580933 
1 1 1 -30 -8  31 o 14.080  6.7141  69.705     63.693   123.868    83.184   -7.0506    99.025   15.113  7.3239  12.279  6.2366  2.833355       9.619510 
1 1 1 -30 -8  32 o 15.857  7.4154  121.981    70.980   74.961     89.586   201.274    116.336  13.624  6.7878  15.243  7.6164  -1.619067      10.20215 
1 1 1 -30 -8  33 o 12.057  6.1319  -20.7572   98.086   -258.0520  283.176  11.594     104.558  ?       ?       12.546  6.3759  0.000000       6.375859 
1 1 1 -30 -8  34 o ?       ?       -137.6815  93.488   -366.7496  276.526  -108.1205  99.338   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -8  35 o 10.573  5.2932  -36.2332   57.469   -24.0561   69.534   -62.4810   102.087  11.363  5.7071  ?       ?       0.000000       5.707143 
1 1 1 -30 -8  36 f 11.185  5.5726  -17.7904   60.398   -89.4743   72.839   139.971    108.056  ?       ?       14.495  7.2569  0.000000       7.256932 
1 1 1 -30 -8  37 o 12.835  6.2377  35.082     61.491   86.013     73.284   -86.0867   113.035  14.389  6.9482  ?       ?       0.000000       6.948187 
1 1 1 -30 -8  38 o 12.989  6.3623  39.566     67.643   -54.1418   77.978   324.471    135.968  11.145  5.6476  16.395  8.1982  -5.249888      9.955148 
1 1 1 -30 -8  39 o 11.878  5.8182  10.020     56.588   -10.4012   68.643   53.334     99.970   11.652  5.8262  13.174  6.6451  -1.521827      8.837563 
1 1 1 -30 -8  40 o 15.750  7.2771  110.219    65.239   127.734    82.969   81.850     105.592  15.151  7.3355  13.498  6.8109  1.653580       10.00994 
1 1 1 -30 -8  41 o ?       ?       -115.0675  57.114   -112.9295  71.551   -118.8218  94.816   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -8  42 o 10.638  5.4062  -64.9764   75.239   -52.9846   81.802   -130.8392  191.709  11.033  5.6099  ?       ?       0.000000       5.609853 
1 1 1 -30 -8  43 o 11.844  5.9734  9.1347     80.651   39.990     88.556   -140.9210  195.288  12.419  6.2633  ?       ?       0.000000       6.263277 
1 1 1 -30 -8  44 o 9.4514  4.8027  -77.1424   59.244   -42.6566   74.590   -136.0781  97.510   10.670  5.4187  ?       ?       0.000000       5.418661 
1 1 1 -30 -7  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -7  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -7  3  o 12.607  5.6279  31.460     35.070   0.0000     0.0000   31.460     35.070   ?       ?       12.607  5.6279  0.000000       5.627907 
1 1 1 -30 -7  4  o 16.804  7.6169  130.669    67.048   0.0000     0.0000   130.669    67.048   ?       ?       16.804  7.6169  0.000000       7.616903 
1 1 1 -30 -7  5  o 8.3955  4.1734  -41.3998   33.085   0.0000     0.0000   -41.3998   33.085   ?       ?       8.3955  4.1734  0.000000       4.173362 
1 1 1 -30 -7  6  o 13.206  5.8839  39.131     38.130   22.126     96.860   42.250     41.480   12.749  6.4431  13.363  6.0302  -0.6148214     8.824835 
1 1 1 -30 -7  7  o 14.421  6.3724  57.556     43.824   50.081     95.315   59.560     49.350   13.232  6.6505  14.256  6.4902  -1.024426      9.292543 
1 1 1 -30 -7  8  o 18.471  7.3871  113.432    50.126   143.829    103.280  104.065    57.332   14.920  7.4094  16.525  7.2960  -1.604847      10.39860 
1 1 1 -30 -7  9  o 26.751  7.3003  177.478    48.708   165.433    70.926   188.229    67.007   18.511  8.1467  21.000  8.4905  -2.488955      11.76681 
1 1 1 -30 -7  10 o 18.650  7.8928  141.238    61.656   120.137    71.542   202.157    121.560  16.105  7.5026  15.441  7.7254  0.6644821      10.76896 
1 1 1 -30 -7  11 o 14.441  6.8465  71.583     64.327   108.348    72.175   -70.4142   141.845  15.601  7.3528  ?       ?       0.000000       7.352819 
1 1 1 -30 -7  12 o 11.089  5.4089  -6.9456    47.410   36.716     69.859   -44.2235   64.551   13.157  6.4491  10.938  5.4944  2.219127       8.472259 
1 1 1 -30 -7  13 o 13.659  6.3926  46.701     52.930   67.723     74.404   25.161     75.314   14.123  6.8634  12.912  6.3973  1.211030       9.382521 
1 1 1 -30 -7  14 o 19.350  7.8005  132.838    56.382   126.084    82.920   138.647    76.893   15.781  7.5619  16.727  7.7874  -0.9459763     10.85478 
1 1 1 -30 -7  15 o 13.901  6.4438  49.625     51.768   0.0016     78.014   88.668     69.199   12.429  6.2142  15.147  7.1573  -2.718402      9.478551 
1 1 1 -30 -7  16 o 16.824  8.1416  198.014    101.921  162.669    258.583  204.515    110.899  ?       ?       16.388  8.0513  0.000000       8.051343 
1 1 1 -30 -7  17 o 16.949  8.2877  233.629    113.298  558.492    298.134  178.794    122.488  ?       ?       15.390  7.7082  0.000000       7.708211 
1 1 1 -30 -7  18 o 12.733  6.1485  23.531     57.376   144.880    75.631   -140.9971  88.065   17.276  7.9286  ?       ?       0.000000       7.928636 
1 1 1 -30 -7  19 o 11.387  5.6191  -14.0189   56.026   -15.9756   72.023   -11.0207   89.155   11.960  5.9786  12.474  6.2901  -0.5138226     8.678063 
1 1 1 -30 -7  20 o 18.978  8.0819  149.162    65.338   97.203     86.558   217.979    99.616   14.818  7.2452  17.660  8.4146  -2.841962      11.10400 
1 1 1 -30 -7  21 o 15.740  7.2415  93.751     63.623   80.207     83.262   112.756    98.630   14.410  7.0583  14.831  7.3431  -0.4208956     10.18533 
1 1 1 -30 -7  22 o 13.530  6.4951  44.505     61.797   76.110     81.757   2.3824     94.385   14.296  7.0009  12.731  6.4259  1.565456       9.502877 
1 1 1 -30 -7  23 o 12.914  6.2368  29.552     59.085   26.803     78.956   33.051     89.074   13.007  6.4626  13.200  6.6056  -0.1925774     9.241183 
1 1 1 -30 -7  24 o 13.281  6.4012  39.856     61.472   46.618     83.689   31.933     90.589   13.443  6.6747  13.143  6.5896  0.2994804      9.379511 
1 1 1 -30 -7  25 o 13.528  6.4978  47.365     62.044   27.017     82.605   73.701     93.977   12.961  6.4668  13.909  6.9332  -0.9483471     9.481006 
1 1 1 -30 -7  26 o 11.944  5.9753  -10.3078   72.649   38.480     82.660   -175.9351  152.301  13.169  6.5543  ?       ?       0.000000       6.554252 
1 1 1 -30 -7  27 o 16.764  7.8316  151.051    78.828   186.743    89.259   24.559     168.034  17.120  8.1013  ?       ?       0.000000       8.101261 
1 1 1 -30 -7  28 o 24.092  8.9486  234.364    69.741   216.498    97.062   253.433    100.275  17.261  8.2472  18.139  8.5846  -0.8779964     11.90427 
1 1 1 -30 -7  29 o 17.422  7.6724  129.864    63.004   105.414    80.685   168.068    100.857  14.818  7.1888  15.533  7.6405  -0.7144699     10.49074 
1 1 1 -30 -7  30 o 15.741  7.2079  100.628    62.017   173.573    78.781   -18.2348   100.564  17.546  8.0673  12.220  6.2140  5.326522       10.18307 
1 1 1 -30 -7  31 o 11.986  5.8775  11.080     58.228   15.113     74.712   4.8399     92.930   12.396  6.1797  12.425  6.2823  -0.2867317E-01 8.812285 
1 1 1 -30 -7  32 o 12.336  6.2577  -3.3514    97.481   -290.9548  297.623  31.210     103.172  ?       ?       12.863  6.5158  0.000000       6.515794 
1 1 1 -30 -7  33 o 12.612  6.3990  14.073     102.308  -26.9568   286.289  20.080     109.541  ?       ?       12.730  6.4747  0.000000       6.474701 
1 1 1 -30 -7  34 o 13.080  6.2767  41.854     57.577   34.407     71.126   56.013     98.071   12.821  6.3274  13.237  6.6648  -0.4158840     9.189985 
1 1 1 -30 -7  35 f 14.382  6.7789  73.665     61.386   41.577     76.660   131.015    102.484  13.027  6.4544  14.543  7.2478  -1.515888      9.705190 
1 1 1 -30 -7  36 o 12.909  6.2342  36.794     59.034   -1.5068    72.727   110.781    101.080  11.990  5.9955  14.217  7.1029  -2.226896      9.295047 
1 1 1 -30 -7  37 o 12.936  6.2880  36.544     62.548   35.675     71.716   39.305     127.852  12.925  6.3744  ?       ?       0.000000       6.374358 
1 1 1 -30 -7  38 o 9.1427  4.6291  -84.8038   51.685   -42.3646   60.187   -204.0108  100.871  10.631  5.3355  ?       ?       0.000000       5.335542 
1 1 1 -30 -7  39 o 19.253  8.1820  168.409    66.713   164.146    84.162   175.615    109.431  16.494  7.8229  15.182  7.5537  1.311893       10.87454 
1 1 1 -30 -7  40 o 13.462  6.4626  53.730     61.184   -34.3233   74.903   230.282    106.063  11.326  5.7178  16.452  8.0392  -5.126223      9.865142 
1 1 1 -30 -7  41 o 12.239  6.0741  19.007     68.968   9.1293     73.448   92.644     200.536  12.067  6.0325  ?       ?       0.000000       6.032514 
1 1 1 -30 -7  42 o 12.098  6.0079  19.469     67.920   28.393     72.030   -52.0940   203.984  12.354  6.1438  ?       ?       0.000000       6.143764 
1 1 1 -30 -7  43 f 12.740  6.2016  47.839     61.429   33.605     75.464   75.796     105.758  12.288  6.1390  12.865  6.5249  -0.5765142     8.958904 
1 1 1 -30 -7  44 o 11.182  5.5450  6.1751     57.051   -3.5693    68.056   29.213     104.643  11.188  5.6226  ?       ?       0.000000       5.622604 
1 1 1 -30 -6  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -30 -6  2  o 15.143  6.1150  56.909     34.713   0.0000     0.0000   56.909     34.713   ?       ?       15.143  6.1150  0.000000       6.115043 
1 1 1 -30 -6  3  o 15.168  6.5340  66.715     43.613   0.0000     0.0000   66.715     43.613   ?       ?       15.168  6.5340  0.000000       6.533966 
1 1 1 -30 -6  4  o 14.363  6.8056  73.448     63.394   0.0000     0.0000   73.448     63.394   ?       ?       14.363  6.8056  0.000000       6.805602 
1 1 1 -30 -6  5  f 15.536  6.4225  65.524     39.406   63.070     87.953   66.140     44.078   13.553  6.7478  15.109  6.5386  -1.556884      9.396078 
1 1 1 -30 -6  6  o 12.672  5.8861  31.123     43.526   58.078     95.985   24.145     48.836   13.423  6.7369  12.366  5.8920  1.056771       8.949913 
1 1 1 -30 -6  7  o 14.399  6.1811  52.411     38.772   11.774     56.789   87.890     53.063   12.071  5.8950  15.963  7.0349  -3.891424      9.178242 
1 1 1 -30 -6  8  o 11.711  5.5048  15.207     39.971   10.457     57.100   19.771     55.973   12.069  5.8975  12.378  6.0008  -0.3087721     8.413684 
1 1 1 -30 -6  9  o 13.100  6.0524  36.478     45.118   -12.4781   62.571   89.502     65.119   11.591  5.7581  15.221  7.1131  -3.629669      9.151641 
1 1 1 -30 -6  10 o 16.587  7.6319  125.296    70.678   143.219    80.034   61.799     150.644  16.530  7.7759  ?       ?       0.000000       7.775881 
1 1 1 -30 -6  11 o 16.754  7.2602  97.548     54.488   137.579    77.949   59.297     76.197   16.555  7.7512  13.859  6.7810  2.695451       10.29869 
1 1 1 -30 -6  12 o 12.152  5.8254  14.981     49.316   11.920     71.699   17.729     67.939   12.585  6.2367  12.679  6.2432  -0.9320354E-01 8.824581 
1 1 1 -30 -6  13 o 12.335  5.9689  14.835     54.763   68.642     68.474   -80.6612   91.222   14.415  6.8979  ?       ?       0.000000       6.897921 
1 1 1 -30 -6  14 o 13.318  6.2326  37.353     50.294   28.528     72.357   45.602     69.957   13.108  6.4524  13.615  6.6255  -0.5071602     9.248233 
1 1 1 -30 -6  15 o 16.799  8.1183  188.197    100.497  309.774    250.694  164.918    109.697  ?       ?       15.709  7.7721  0.000000       7.772059 
1 1 1 -30 -6  16 o 12.347  6.2056  -14.6087   82.956   -175.5015  244.267  6.3674     88.198   ?       ?       12.839  6.4459  0.000000       6.445918 
1 1 1 -30 -6  17 o 14.198  7.0983  76.950     101.702  -202.2351  279.142  119.682    109.208  ?       ?       14.872  7.4230  0.000000       7.423007 
1 1 1 -30 -6  18 o 16.780  7.4513  104.194    60.642   65.332     81.475   152.462    90.801   14.176  6.9516  16.440  7.8871  -2.264159      10.51344 
1 1 1 -30 -6  19 o 12.517  6.0704  16.004     57.404   33.401     77.321   -5.3602    85.685   13.329  6.5818  12.586  6.3235  0.7427254      9.127202 
1 1 1 -30 -6  20 o 11.997  5.8791  0.9876     57.964   18.982     79.452   -19.4865   84.750   12.980  6.4545  12.295  6.1913  0.6847105      8.943879 
1 1 1 -30 -6  21 o 15.713  7.1848  88.291     61.322   82.965     82.132   95.000     92.180   14.613  7.1260  14.690  7.2411  -0.7690048E-01 10.15937 
1 1 1 -30 -6  22 o 13.440  6.4346  40.389     59.732   77.660     79.093   -9.0845    91.127   14.488  7.0489  12.559  6.3361  1.928632       9.478030 
1 1 1 -30 -6  23 o 9.7382  4.9151  -76.0390   55.185   -44.1018   72.716   -119.4164  84.745   11.387  5.7343  ?       ?       0.000000       5.734298 
1 1 1 -30 -6  24 o 13.287  6.4174  38.421     62.583   46.327     82.610   27.771     95.876   13.506  6.6930  13.158  6.6207  0.3472071      9.414371 
1 1 1 -30 -6  25 o 18.057  8.3162  188.109    84.198   215.592    98.867   115.557    160.636  17.446  8.3319  ?       ?       0.000000       8.331923 
1 1 1 -30 -6  26 o 11.999  5.9886  -7.7091    71.019   -75.9975   79.025   279.008    161.927  11.009  5.5896  ?       ?       0.000000       5.589560 
1 1 1 -30 -6  27 o 13.093  6.4507  36.018     72.852   20.914     82.491   89.551     155.302  12.793  6.3952  ?       ?       0.000000       6.395250 
1 1 1 -30 -6  28 o 13.085  6.2742  37.829     57.295   112.572    74.893   -67.6462   88.968   15.507  7.3622  ?       ?       0.000000       7.362151 
1 1 1 -30 -6  29 f 13.422  6.4381  47.677     60.439   74.257     76.753   4.2978     98.053   14.050  6.8596  12.569  6.3652  1.481212       9.357857 
1 1 1 -30 -6  30 o 17.441  7.5913  123.442    60.098   198.058    75.279   -7.6796    99.793   19.560  8.5047  12.386  6.2880  7.173631       10.57684 
1 1 1 -30 -6  31 o 19.806  8.2942  175.390    66.939   191.247    87.545   153.070    103.865  17.253  8.1212  15.025  7.4561  2.228097       11.02486 
1 1 1 -30 -6  32 o 12.624  6.3977  12.390     100.261  -135.1346  283.702  33.445     107.177  ?       ?       12.947  6.5668  0.000000       6.566760 
1 1 1 -30 -6  33 o 13.065  6.6228  43.003     107.955  759.811    294.986  -67.8466   116.002  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -6  34 o 15.085  7.0228  89.075     62.523   154.634    78.177   -27.2718   104.147  16.734  7.8115  ?       ?       0.000000       7.811450 
1 1 1 -30 -6  35 o 13.275  6.4458  46.991     65.252   18.574     82.173   95.493     107.354  12.579  6.3023  13.861  6.9786  -1.282351      9.403141 
1 1 1 -30 -6  36 o 9.9980  5.0192  -52.2510   53.432   -0.6641    64.972   -160.0365  93.915   11.857  5.8861  ?       ?       0.000000       5.886089 
1 1 1 -30 -6  37 o 16.875  7.5713  123.286    64.330   135.271    81.198   103.081    105.427  15.828  7.5571  14.093  7.0718  1.734929       10.34986 
1 1 1 -30 -6  38 o 11.713  5.7288  4.9117     54.253   12.831     70.468   -6.6146    85.015   12.339  6.1263  12.185  6.1441  0.1539011      8.676492 
1 1 1 -30 -6  39 o 11.191  5.5163  -8.9390    53.507   67.577     68.416   -129.4574  85.863   13.942  6.7279  ?       ?       0.000000       6.727855 
1 1 1 -30 -6  40 o 14.332  6.7399  72.678     60.055   65.861     78.623   82.226     93.050   13.577  6.6915  13.723  6.8500  -0.1461496     9.575926 
1 1 1 -30 -6  41 o 11.633  5.8275  -7.6381    70.119   -41.1027   74.595   246.369    205.514  11.116  5.6211  ?       ?       0.000000       5.621116 
1 1 1 -30 -6  42 o 9.6792  4.9199  -87.2977   62.528   -100.4064  65.850   32.853     199.362  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -6  43 o 10.624  5.2819  -14.1120   53.047   -30.5495   65.019   18.611     91.739   10.710  5.3970  12.059  6.1124  -1.349419      8.154038 
1 1 1 -30 -6  44 o 9.1038  4.6154  -71.6707   52.529   -62.1861   64.734   -89.9569   89.885   9.9540  5.0543  ?       ?       0.000000       5.054335 
1 1 1 -30 -5  1  o 9.0044  4.1840  -1.9866    22.024   0.0000     0.0000   -1.9866    22.024   ?       ?       9.0044  4.1840  0.000000       4.184037 
1 1 1 -30 -5  2  o 8.7865  4.3080  -26.3890   31.243   0.0000     0.0000   -26.3890   31.243   ?       ?       8.7865  4.3080  0.000000       4.308016 
1 1 1 -30 -5  3  o 16.717  7.7515  143.644    74.995   0.0000     0.0000   143.644    74.995   ?       ?       16.717  7.7515  0.000000       7.751482 
1 1 1 -30 -5  4  o 12.019  5.3924  23.771     32.632   -93.2501   65.426   62.521     37.649   9.9816  5.0696  15.474  6.3238  -5.491962      8.105065 
1 1 1 -30 -5  5  o 11.943  5.6815  16.756     45.046   -30.0440   137.977  22.339     47.658   ?       ?       12.284  5.8440  0.000000       5.843983 
1 1 1 -30 -5  6  f 15.499  6.5270  66.871     41.831   118.868    60.260   18.511     58.114   17.273  7.5576  12.366  6.0224  4.906787       9.663647 
1 1 1 -30 -5  7  o 11.049  5.2848  2.4637     40.082   -33.5803   56.917   37.926     56.455   10.768  5.3719  13.146  6.2833  -2.378380      8.266638 
1 1 1 -30 -5  8  o 13.139  6.0404  36.516     44.153   -45.4219   64.208   110.018    60.813   10.900  5.4761  16.772  7.4542  -5.872109      9.249515 
1 1 1 -30 -5  9  o 13.096  6.3561  33.886     63.253   39.297     70.822   12.551     140.623  13.294  6.5112  ?       ?       0.000000       6.511166 
1 1 1 -30 -5  10 o 10.859  5.4290  -38.9697   59.525   -56.4692   67.651   21.032     125.269  10.902  5.4949  ?       ?       0.000000       5.494936 
1 1 1 -30 -5  11 o 19.688  7.7642  130.665    54.647   158.180    76.292   101.673    78.313   17.872  8.1105  15.288  7.3321  2.583652       10.93344 
1 1 1 -30 -5  12 o 22.107  8.1391  161.536    57.455   188.939    80.547   133.152    81.978   18.975  8.4956  16.298  7.7272  2.677124       11.48413 
1 1 1 -30 -5  13 o 12.229  5.9300  10.285     54.745   8.4915     67.200   13.825     94.396   12.513  6.1709  13.060  6.5711  -0.5469856     9.014389 
1 1 1 -30 -5  14 o 11.322  5.5680  -14.2840   53.452   -34.3504   68.337   17.341     85.790   11.501  5.7598  13.066  6.5305  -1.565654      8.707621 
1 1 1 -30 -5  15 o 12.234  6.1621  -25.6050   84.227   151.741    237.311  -51.1650   90.092   ?       ?       11.980  6.0705  0.000000       6.070530 
1 1 1 -30 -5  16 o 11.588  5.8580  -56.8585   80.565   -389.2152  232.109  -11.3316   85.906   ?       ?       12.548  6.3076  0.000000       6.307596 
1 1 1 -30 -5  17 o 13.457  6.3763  37.515     55.649   22.607     75.956   54.791     81.764   13.120  6.4868  13.979  6.8768  -0.8588734     9.453526 
1 1 1 -30 -5  18 o 13.642  6.5027  41.731     59.605   -63.1874   80.017   172.529    89.342   11.465  5.8000  17.407  8.1969  -5.942238      10.04137 
1 1 1 -30 -5  19 o 10.827  5.3908  -36.8556   56.131   -2.0707    76.500   -77.4214   82.613   12.523  6.2446  11.336  5.7515  1.186896       8.489676 
1 1 1 -30 -5  20 o 14.509  6.8034  61.879     60.438   23.102     81.195   110.058    90.504   13.159  6.5406  15.254  7.4478  -2.095695      9.912066 
1 1 1 -30 -5  21 o 10.088  5.0777  -67.5143   56.651   -129.4614  77.997   1.6559     82.419   ?       ?       12.684  6.3486  0.000000       6.348556 
1 1 1 -30 -5  22 o 12.114  5.9487  1.9367     60.332   31.756     81.269   -34.6742   90.049   13.299  6.5989  12.174  6.1579  1.125396       9.025847 
1 1 1 -30 -5  23 o 20.132  8.4619  177.077    70.090   196.563    97.627   156.350    100.688  17.236  8.2450  15.880  7.7750  1.356036       11.33270 
1 1 1 -30 -5  24 o 13.273  6.4070  36.886     62.157   -39.2246   84.948   124.595    91.191   11.894  6.0131  15.404  7.5110  -3.510178      9.621514 
1 1 1 -30 -5  25 o 10.478  5.2970  -73.0418   65.867   -101.9825  73.842   39.651     145.713  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -5  26 o 13.374  6.5766  43.001     74.508   -13.5670   84.334   244.206    159.051  12.233  6.1621  ?       ?       0.000000       6.162109 
1 1 1 -30 -5  27 o 11.155  5.5397  -21.2971   57.765   3.0485     73.253   -61.3303   93.934   12.294  6.1271  ?       ?       0.000000       6.127125 
1 1 1 -30 -5  28 o 14.212  6.7455  65.763     62.789   6.2946     76.895   184.757    108.771  12.394  6.1926  15.711  7.7668  -3.317022      9.933369 
1 1 1 -30 -5  29 o 13.995  6.6896  62.726     64.009   8.6330     80.757   154.139    104.980  12.460  6.2435  15.150  7.5144  -2.689668      9.769753 
1 1 1 -30 -5  30 o 15.291  7.0329  87.399     59.942   173.640    74.591   -69.8414   100.718  18.319  8.1906  ?       ?       0.000000       8.190578 
1 1 1 -30 -5  31 o ?       ?       -19.5427   102.324  -267.7457  274.051  20.664     110.300  ?       ?       12.848  6.5309  0.000000       6.530878 
1 1 1 -30 -5  32 o 15.095  7.5202  167.830    109.891  -29.1676   291.687  200.416    118.632  ?       ?       15.332  7.6651  0.000000       7.665142 
1 1 1 -30 -5  33 o 10.685  5.3210  -28.6932   54.821   25.512     68.100   -128.5005  92.407   12.623  6.2226  ?       ?       0.000000       6.222592 
1 1 1 -30 -5  34 o 9.4732  4.7987  -85.1712   55.969   -112.3181  67.595   -25.9732   99.817   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -5  35 o 11.202  5.5671  -17.2297   58.734   -33.1313   72.754   12.526     99.523   11.380  5.7314  12.662  6.4125  -1.281926      8.600526 
1 1 1 -30 -5  36 o 9.6585  4.8728  -69.5025   53.900   -57.2722   65.552   -95.0319   94.709   10.628  5.3635  ?       ?       0.000000       5.363455 
1 1 1 -30 -5  37 o 12.802  6.2092  31.044     60.093   39.811     73.767   13.749     103.613  13.118  6.4687  12.766  6.4733  0.3520803      9.151363 
1 1 1 -30 -5  38 o 9.2888  4.6967  -79.8825   51.965   -128.9262  67.275   -7.3384    81.820   ?       ?       12.135  6.1073  0.000000       6.107316 
1 1 1 -30 -5  39 o 14.728  6.8585  77.836     59.703   12.146     78.108   170.152    92.595   12.407  6.2055  16.063  7.7702  -3.656035      9.944091 
1 1 1 -30 -5  40 o 14.260  6.9312  87.213     75.973   75.068     81.196   172.602    215.299  13.773  6.7904  ?       ?       0.000000       6.790400 
1 1 1 -30 -5  41 o 13.791  6.7556  77.955     76.288   51.916     81.477   263.072    217.241  13.048  6.4964  ?       ?       0.000000       6.496375 
1 1 1 -30 -5  42 o 10.571  5.2550  -19.0887   52.458   13.690     65.098   -79.7939   88.590   11.876  5.8950  ?       ?       0.000000       5.894963 
1 1 1 -30 -5  43 o 9.8194  4.9368  -43.6384   52.741   -119.3391  65.261   98.900     89.550   ?       ?       13.417  6.7008  0.000000       6.700837 
1 1 1 -30 -5  44 o 10.828  5.3486  2.1159     51.204   18.084     62.512   -30.4412   89.261   11.518  5.7273  ?       ?       0.000000       5.727323 
1 1 1 -30 -4  1  o ?       ?       -100.0174  16.062   0.0000     0.0000   -100.0174  16.062   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -4  2  o 17.339  7.9572  158.446    76.162   0.0000     0.0000   158.446    76.162   ?       ?       17.339  7.9572  0.000000       7.957217 
1 1 1 -30 -4  3  o 11.390  5.1482  16.954     30.379   -12.3539   81.834   21.639     32.717   12.076  6.0814  11.864  5.3545  0.2118015      8.102754 
1 1 1 -30 -4  4  o 11.014  5.0403  12.253     30.258   38.853     39.441   -25.8001   47.173   13.267  5.9421  10.353  5.1175  2.913783       7.841970 
1 1 1 -30 -4  5  o 11.349  5.3621  9.5944     38.832   29.383     56.211   -8.4704    53.707   12.771  6.1470  11.321  5.5699  1.450751       8.295148 
1 1 1 -30 -4  6  o 14.059  6.2529  49.720     42.866   95.145     59.756   1.5651     61.526   15.937  7.2105  11.962  5.9001  3.975441       9.316825 
1 1 1 -30 -4  7  o 11.380  5.4375  5.8050     42.200   39.331     62.430   -22.4027   57.265   13.271  6.4097  11.133  5.5266  2.138546       8.463268 
1 1 1 -30 -4  8  o 13.413  6.3957  41.444     57.774   34.988     64.373   68.184     131.002  13.168  6.3957  ?       ?       0.000000       6.395659 
1 1 1 -30 -4  9  o 12.115  5.9331  5.5719     58.761   26.432     65.507   -80.3524   132.948  12.938  6.3209  ?       ?       0.000000       6.320925 
1 1 1 -30 -4  10 o 10.147  5.0084  -30.0576   44.611   -40.2452   64.043   -20.4550   62.177   11.117  5.5689  11.515  5.7235  -0.3976011     7.985714 
1 1 1 -30 -4  11 o 15.662  6.9535  76.468     52.785   94.573     73.606   57.299     75.739   15.360  7.2942  14.009  6.8338  1.351341       9.995293 
1 1 1 -30 -4  12 o 14.179  6.6662  54.226     58.680   40.171     73.786   78.414     96.794   13.552  6.6394  14.342  7.1306  -0.7898750     9.743045 
1 1 1 -30 -4  13 o 8.8668  4.5006  -104.9803  50.955   -126.6654  62.338   -61.3185   88.455   ?       ?       11.797  5.9816  0.000000       5.981564 
1 1 1 -30 -4  14 f 15.861  7.6776  128.219    90.782   296.468    214.430  91.477     100.206  ?       ?       14.651  7.2798  0.000000       7.279755 
1 1 1 -30 -4  15 o 16.601  8.0515  171.830    101.036  558.422    257.920  101.752    109.812  ?       ?       14.719  7.3613  0.000000       7.361275 
1 1 1 -30 -4  16 o 9.4629  4.7665  -75.2487   50.421   35.999     71.631   -184.5032  70.986   13.521  6.6069  ?       ?       0.000000       6.606850 
1 1 1 -30 -4  17 o 11.639  5.7020  -8.4613    54.402   -6.6238    76.734   -10.3184   77.140   12.492  6.2331  12.421  6.2057  0.7099438E-01  8.795548 
1 1 1 -30 -4  18 o 11.930  5.8649  -5.9857    59.133   -67.1913   80.572   65.468     87.056   11.463  5.8013  14.279  7.0384  -2.816339      9.121087 
1 1 1 -30 -4  19 o 14.586  6.8748  63.244     63.113   46.290     87.706   81.452     90.890   13.800  6.8489  14.604  7.1970  -0.8036871     9.935027 
1 1 1 -30 -4  20 o 17.357  7.7637  122.499    67.094   149.093    91.418   91.450     98.780   16.461  7.9015  14.662  7.2754  1.798244       10.74080 
1 1 1 -30 -4  21 o 12.689  6.1814  16.616     61.347   30.595     83.360   0.1015     90.609   13.368  6.6416  12.836  6.4556  0.5318995      9.262035 
1 1 1 -30 -4  22 f 11.544  5.7199  -18.0458   60.246   18.309     81.228   -62.4970   89.819   13.029  6.4869  11.783  5.9800  1.246671       8.822692 
1 1 1 -30 -4  23 o 13.630  6.5124  43.829     60.525   45.303     80.581   41.922     91.681   13.626  6.7265  13.548  6.7680  0.7810688E-01  9.542078 
1 1 1 -30 -4  24 o 11.575  5.8198  -37.0227   73.329   -70.0390   84.430   64.345     147.939  11.421  5.7967  ?       ?       0.000000       5.796657 
1 1 1 -30 -4  25 o 12.962  6.4495  22.524     79.834   -7.5932    92.147   113.170    159.864  12.551  6.3366  ?       ?       0.000000       6.336632 
1 1 1 -30 -4  26 o 12.845  6.4183  18.253     82.631   89.856     95.957   -187.1666  162.530  14.307  7.1114  ?       ?       0.000000       7.111411 
1 1 1 -30 -4  27 o 14.155  6.8033  65.947     68.237   109.950    95.394   19.838     97.649   14.695  7.2662  12.954  6.5381  1.741077       9.774645 
1 1 1 -30 -4  28 o 14.621  6.9316  77.362     65.930   89.384     87.917   61.914     99.662   14.330  7.0654  13.599  6.8309  0.7310305      9.827551 
1 1 1 -30 -4  29 o 11.751  5.8372  -6.8816    64.253   18.114     89.452   -33.5241   92.352   12.760  6.4170  11.980  6.0785  0.7796583      8.838954 
1 1 1 -30 -4  30 o 11.552  5.7976  -23.7377   70.997   -70.6540   89.855   54.221     115.828  ?       ?       13.327  6.7665  0.000000       6.766509 
1 1 1 -30 -4  31 o ?       ?       -211.3450  99.676   -72.9796   285.253  -230.5892  106.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -4  32 o 15.096  7.5693  186.495    119.677  560.974    300.679  116.002    130.456  ?       ?       13.899  7.0689  0.000000       7.068892 
1 1 1 -30 -4  33 o 11.287  5.6167  -17.3036   60.616   -82.6147   83.522   55.381     88.110   ?       ?       13.392  6.6816  0.000000       6.681613 
1 1 1 -30 -4  34 f 14.531  6.8867  77.985     64.986   64.067     84.647   97.966     101.420  13.622  6.7549  14.069  7.0419  -0.4477253     9.757967 
1 1 1 -30 -4  35 o 14.541  6.8789  77.031     64.270   -14.4812   82.658   216.937    102.204  12.025  6.0628  16.778  8.1278  -4.753055      10.13995 
1 1 1 -30 -4  36 o 10.359  5.2003  -49.4039   57.311   -72.0141   75.947   -19.5000   87.342   10.874  5.5169  12.070  6.1019  -1.196045      8.226141 
1 1 1 -30 -4  37 o 9.8548  4.9753  -70.9341   56.752   -50.7836   77.237   -94.5791   83.667   11.278  5.7045  ?       ?       0.000000       5.704502 
1 1 1 -30 -4  38 o 13.254  6.3709  43.189     59.891   96.090     80.720   -21.6001   89.331   14.598  7.1067  12.056  6.1023  2.541726       9.367157 
1 1 1 -30 -4  39 o 8.8761  4.5094  -100.1574  52.038   -117.1102  67.405   -75.1457   81.873   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -4  40 o 10.856  5.4727  -44.2990   67.249   -32.5814   70.893   -149.5787  212.498  11.226  5.6545  ?       ?       0.000000       5.654472 
1 1 1 -30 -4  41 f 10.766  5.4086  -34.0944   62.612   -34.4848   65.503   -29.9614   213.119  10.879  5.4735  ?       ?       0.000000       5.473493 
1 1 1 -30 -4  42 o 14.075  6.6838  79.206     61.794   72.804     80.594   88.339     96.259   13.272  6.5833  13.315  6.6912  -0.4273224E-01 9.386755 
1 1 1 -30 -4  43 o 11.701  5.7529  20.443     56.942   75.997     73.069   -65.4727   90.867   13.224  6.5047  ?       ?       0.000000       6.504735 
1 1 1 -30 -3  1  o 15.840  7.3794  111.215    69.213   0.0000     0.0000   111.215    69.213   ?       ?       15.840  7.3794  0.000000       7.379355 
1 1 1 -30 -3  2  o 8.4572  4.1722  -33.2487   30.821   -3.0307    125.374  -35.1925   31.797   ?       ?       8.5077  4.2046  0.000000       4.204641 
1 1 1 -30 -3  3  o 12.815  5.6755  32.410     34.955   17.086     44.998   55.730     55.509   11.992  5.6971  13.951  6.5349  -1.959476      8.669614 
1 1 1 -30 -3  4  o 11.561  5.3976  14.219     37.358   32.055     51.698   -5.2723    54.043   12.865  6.1105  11.452  5.6250  1.413758       8.305364 
1 1 1 -30 -3  5  o 17.192  6.9735  88.386     45.361   108.646    66.016   70.265     62.434   16.156  7.4122  14.506  6.8372  1.650335       10.08405 
1 1 1 -30 -3  6  o 10.874  5.2179  -1.6573    39.785   -26.5043   56.175   23.349     56.355   10.970  5.4505  12.628  6.0967  -1.657998      8.177866 
1 1 1 -30 -3  7  o 15.825  7.1833  90.674     59.892   90.340     66.765   92.047     135.529  15.346  7.1815  ?       ?       0.000000       7.181466 
1 1 1 -30 -3  8  o 16.559  7.6302  120.662    71.003   114.336    80.820   142.059    148.640  15.613  7.4772  ?       ?       0.000000       7.477222 
1 1 1 -30 -3  9  o 12.204  5.8364  14.774     48.857   21.725     73.205   9.1912     65.606   12.962  6.4014  12.475  6.1413  0.4878635      8.870890 
1 1 1 -30 -3  10 o ?       ?       -109.3940  42.653   -96.4134   60.371   -122.3306  60.269   9.7812  4.9577  ?       ?       0.000000       4.957716 
1 1 1 -30 -3  11 f 15.863  7.0917  81.666     55.900   91.783     77.786   70.860     80.389   15.179  7.2871  14.436  7.0417  0.7436981      10.13346 
1 1 1 -30 -3  12 o 14.760  6.8646  64.891     59.505   71.742     75.393   53.571     96.906   14.611  7.0537  13.923  6.9560  0.6883173      9.906585 
1 1 1 -30 -3  13 o 16.726  7.9058  140.949    84.569   -259.2087  208.298  219.929    92.539   ?       ?       19.140  8.7790  0.000000       8.779022 
1 1 1 -30 -3  14 o 12.171  6.0538  -12.8450   70.041   -259.8147  193.289  24.486     75.149   ?       ?       13.249  6.5323  0.000000       6.532315 
1 1 1 -30 -3  15 o 12.670  6.3688  -12.1906   87.538   -63.6994   238.153  -4.1442    94.127   ?       ?       12.935  6.5149  0.000000       6.514876 
1 1 1 -30 -3  16 o 14.979  6.9715  68.721     61.545   41.118     88.433   94.648     85.705   13.764  6.8390  15.180  7.3746  -1.415661      10.05765 
1 1 1 -30 -3  17 o 16.161  7.2235  86.258     57.969   -8.9224    79.455   194.582    84.764   12.552  6.2752  19.163  8.6364  -6.610906      10.67548 
1 1 1 -30 -3  18 o 14.254  6.5789  50.771     53.108   -23.5207   67.994   166.999    85.047   11.843  5.9024  17.812  8.2577  -5.969177      10.15027 
1 1 1 -30 -3  19 o 13.731  6.4576  41.632     55.137   -21.5486   68.674   156.232    92.490   11.903  5.9323  16.737  8.0112  -4.833978      9.968549 
1 1 1 -30 -3  20 o 17.274  7.4813  103.721    57.794   164.340    72.925   1.3556     94.766   19.162  8.3508  12.985  6.5397  6.177103       10.60678 
1 1 1 -30 -3  21 o 13.782  6.5053  44.192     56.896   47.835     71.286   37.800     94.438   13.850  6.7277  13.600  6.8050  0.2503214      9.569271 
1 1 1 -30 -3  22 o 11.920  5.8168  0.5853     55.008   13.816     67.072   -26.5982   96.140   12.710  6.2478  12.491  6.3231  0.2190838      8.889102 
1 1 1 -30 -3  23 o 13.116  6.4055  28.523     67.061   37.723     93.482   18.769     96.256   13.492  6.7540  13.165  6.6252  0.3270483      9.460979 
1 1 1 -30 -3  24 o 17.334  8.2665  196.500    96.582   180.409    114.997  235.021    177.932  15.770  7.8290  ?       ?       0.000000       7.829021 
1 1 1 -30 -3  25 o 13.550  6.7310  46.664     85.486   38.654     99.291   69.608     168.055  13.396  6.7400  ?       ?       0.000000       6.740009 
1 1 1 -30 -3  26 o 11.041  5.5579  -49.3294   68.014   -64.4500   97.315   -34.8901   95.097   ?       ?       12.158  6.1687  0.000000       6.168744 
1 1 1 -30 -3  27 o 10.382  5.2306  -61.4284   60.905   -29.9049   80.404   -103.8651  93.289   11.832  5.9671  ?       ?       0.000000       5.967139 
1 1 1 -30 -3  28 o 11.311  5.6398  -22.8992   62.345   -28.8431   84.253   -15.7058   92.686   11.913  6.0199  12.302  6.2257  -0.3892460     8.660146 
1 1 1 -30 -3  29 o 12.795  6.2877  27.612     67.786   49.847     91.755   0.8949     100.578  13.370  6.6927  12.609  6.3916  0.7612581      9.254439 
1 1 1 -30 -3  30 o 13.852  7.0022  91.928     114.895  74.533     307.319  94.754     123.878  ?       ?       13.798  7.0050  0.000000       7.005005 
1 1 1 -30 -3  31 o ?       ?       42.249     121.091  -267.1337  309.283  98.260     131.596  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -3  32 o 12.360  6.1182  14.141     68.303   -62.3379   89.395   121.412    105.872  ?       ?       14.424  7.2159  0.000000       7.215853 
1 1 1 -30 -3  33 o 12.970  6.3471  35.704     66.871   58.594     91.169   9.0502     98.381   13.466  6.7303  12.636  6.3966  0.8297338      9.285162 
1 1 1 -30 -3  34 o 13.414  6.5101  48.794     66.333   71.552     90.573   22.465     97.420   13.755  6.8485  12.845  6.4891  0.9100151      9.434535 
1 1 1 -30 -3  35 o 10.486  5.2842  -56.9411   62.351   -15.7818   83.732   -108.1725  93.417   12.054  6.0803  ?       ?       0.000000       6.080300 
1 1 1 -30 -3  36 o 19.930  9.6296  504.177    141.242  664.515    166.093  85.384     268.431  19.961  9.8160  ?       ?       0.000000       9.816040 
1 1 1 -30 -3  37 o ?       ?       -168.9217  52.775   48.156     78.061   -351.6691  71.623   13.368  6.6033  ?       ?       0.000000       6.603332 
1 1 1 -30 -3  38 o 14.843  6.9756  83.236     64.137   -0.0767    93.506   157.257    88.138   12.460  6.2999  16.122  7.7440  -3.662003      9.982956 
1 1 1 -30 -3  39 o 16.180  7.6865  149.376    81.878   137.407    92.266   193.732    177.619  15.134  7.4166  ?       ?       0.000000       7.416620 
1 1 1 -30 -3  40 o 14.966  7.2637  121.346    82.621   133.721    93.144   75.672     178.945  14.800  7.2921  ?       ?       0.000000       7.292080 
1 1 1 -30 -3  41 f 15.655  7.2510  114.169    65.356   96.045     97.030   129.221    88.423   13.636  6.8341  14.632  7.1889  -0.9966259     9.918925 
1 1 1 -30 -3  42 o 15.636  7.2652  123.402    66.389   92.129     91.983   157.407    95.917   13.375  6.6961  14.595  7.2292  -1.220164      9.853906 
1 1 1 -30 -3  43 o 15.284  7.0450  112.567    60.597   143.279    77.278   63.534     97.644   14.968  7.2052  12.500  6.3327  2.467970       9.592574 
1 1 1 -30 -2  1  o 13.090  6.1664  37.367     50.652   0.0000     0.0000   37.367     50.652   ?       ?       13.090  6.1664  0.000000       6.166438 
1 1 1 -30 -2  2  o 10.693  5.0806  1.3209     35.811   2.0214     45.106   0.1263     58.899   11.297  5.4541  11.800  5.8110  -0.5032759     7.969569 
1 1 1 -30 -2  3  o 15.787  6.5477  68.505     41.148   71.550     56.901   65.167     59.576   14.767  6.8136  14.327  6.7298  0.4399710      9.576860 
1 1 1 -30 -2  4  o 15.209  6.4790  62.780     42.015   64.385     59.912   61.226     58.937   14.327  6.7358  14.208  6.6803  0.1186867      9.486707 
1 1 1 -30 -2  5  o 12.668  6.0710  25.340     53.485   63.039     58.421   -169.8665  132.939  14.368  6.7220  ?       ?       0.000000       6.721998 
1 1 1 -30 -2  6  o 14.766  6.8729  70.903     59.837   57.564     65.794   134.724    143.915  14.005  6.7177  ?       ?       0.000000       6.717746 
1 1 1 -30 -2  7  o 14.154  6.7905  60.597     67.310   73.545     75.848   12.605     146.027  14.427  6.9922  ?       ?       0.000000       6.992170 
1 1 1 -30 -2  8  o 19.514  7.6883  124.995    53.538   48.617     80.873   184.580    71.431   13.709  6.7624  20.464  8.5687  -6.754724      10.91569 
1 1 1 -30 -2  9  o 17.494  7.3713  101.079    53.403   53.786     76.532   145.959    74.555   13.936  6.8135  17.680  8.0212  -3.744541      10.52442 
1 1 1 -30 -2  10 o 24.929  8.5955  203.506    63.072   156.568    87.745   253.686    90.725   16.957  8.0267  20.938  9.2142  -3.980684      12.22004 
1 1 1 -30 -2  11 o 13.717  6.4597  42.014     55.511   1.4419     80.232   79.270     76.883   12.736  6.3578  14.853  7.1588  -2.117366      9.574431 
1 1 1 -30 -2  12 o 22.319  8.5962  183.872    65.721   115.200    87.981   270.565    98.854   15.682  7.5829  20.488  9.2713  -4.805639      11.97736 
1 1 1 -30 -2  13 o 14.288  6.9405  58.986     75.851   -218.1796  202.311  104.319    81.820   ?       ?       15.635  7.4972  0.000000       7.497154 
1 1 1 -30 -2  14 o 12.247  6.1100  -16.1771   73.642   27.325     197.117  -23.2336   79.390   ?       ?       12.275  6.1562  0.000000       6.156212 
1 1 1 -30 -2  15 o 15.778  7.0370  75.950     54.697   56.464     72.889   101.067    82.753   14.274  6.9021  15.533  7.4718  -1.258142      10.17185 
1 1 1 -30 -2  16 o 11.095  5.4409  -18.2351   49.921   -25.8171   63.211   -5.6675    81.381   11.608  5.7702  12.701  6.3497  -1.092516      8.579822 
1 1 1 -30 -2  17 o 11.310  5.5263  -12.4606   50.101   -49.4528   64.379   44.349     79.781   11.091  5.5599  13.869  6.8169  -2.777893      8.796712 
1 1 1 -30 -2  18 o 12.150  5.9013  4.0409     54.800   -53.1907   72.110   82.280     84.312   11.395  5.7346  14.871  7.2447  -3.476027      9.239652 
1 1 1 -30 -2  19 o 11.789  5.9596  -55.7436   83.321   549.452    253.849  -128.8166  88.208   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -2  20 o 29.960  8.8558  269.869    68.861   262.410    89.937   280.438    107.053  21.803  9.3876  19.576  9.1389  2.226604       13.10144 
1 1 1 -30 -2  21 o 15.312  7.0794  77.659     61.882   8.6969     77.685   197.390    102.362  12.833  6.3820  17.211  8.2867  -4.377679      10.45938 
1 1 1 -30 -2  22 o 23.590  9.2594  243.226    77.381   250.039    107.625  235.936    111.335  18.242  8.7070  17.490  8.4755  0.7518158      12.15095 
1 1 1 -30 -2  23 o 20.200  9.2812  294.942    104.029  271.656    123.874  350.661    191.618  17.284  8.4952  ?       ?       0.000000       8.495207 
1 1 1 -30 -2  24 o 14.858  7.3425  107.687    96.883   24.970     112.734  341.354    189.478  13.305  6.7469  ?       ?       0.000000       6.746907 
1 1 1 -30 -2  25 o 11.503  5.8451  -70.6002   87.806   0.7888     103.364  -255.6533  166.418  12.845  6.5082  ?       ?       0.000000       6.508210 
1 1 1 -30 -2  26 o 12.575  6.1778  16.713     65.286   25.561     87.760   5.7478     97.695   13.053  6.5357  12.800  6.4691  0.2532339      9.195954 
1 1 1 -30 -2  27 o 12.654  6.2208  20.307     66.509   52.102     88.890   -20.1290   100.245  13.538  6.7476  12.410  6.3003  1.128189       9.231703 
1 1 1 -30 -2  28 o 13.412  6.5559  46.321     70.712   46.183     97.141   46.475     103.130  13.346  6.7085  13.344  6.7333  0.1343727E-02  9.504760 
1 1 1 -30 -2  29 o 13.824  7.0166  93.024     123.816  304.616    325.555  57.243     133.876  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -2  30 o 13.327  6.7609  51.932     113.986  111.269    308.524  42.553     122.665  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -2  31 o ?       ?       180.063    142.582  0.0000     0.0000   180.063    142.582  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -2  32 o 12.769  6.2917  28.083     69.373   -55.5566   93.433   130.842    103.563  ?       ?       14.687  7.3143  0.000000       7.314348 
1 1 1 -30 -2  33 o 17.415  7.8932  149.540    71.977   114.707    98.419   189.593    105.534  14.512  7.2111  15.871  7.8086  -1.359176      10.62898 
1 1 1 -30 -2  34 o 12.325  6.1066  11.610     68.604   107.526    91.539   -111.3042  103.624  14.573  7.1895  ?       ?       0.000000       7.189468 
1 1 1 -30 -2  35 o 11.588  5.8222  -26.0779   72.658   -93.8988   90.052   100.429    122.990  ?       ?       13.911  7.0535  0.000000       7.053500 
1 1 1 -30 -2  36 o 17.430  7.8624  143.599    70.445   190.109    101.362  100.148    97.972   16.276  7.9323  14.318  7.1276  1.958248       10.66414 
1 1 1 -30 -2  37 o 12.447  6.0703  20.209     59.630   -23.3995   84.750   62.963     83.916   11.967  6.0464  13.694  6.7791  -1.726396      9.083775 
1 1 1 -30 -2  38 o 17.462  7.7893  139.026    67.046   123.215    95.030   154.696    94.606   14.779  7.2975  15.589  7.6120  -0.8100691     10.54493 
1 1 1 -30 -2  39 o 13.439  6.6419  58.558     79.333   41.083     88.906   126.850    175.751  13.010  6.5234  ?       ?       0.000000       6.523414 
1 1 1 -30 -2  40 o 13.883  6.8764  89.553     86.782   139.766    99.108   -75.4849   179.678  14.614  7.2576  ?       ?       0.000000       7.257604 
1 1 1 -30 -2  41 o 13.120  6.3588  53.338     62.734   -5.5116    90.715   107.279    86.849   11.906  6.0391  14.040  6.9405  -2.133723      9.200061 
1 1 1 -30 -2  42 o 12.370  6.0755  38.283     62.995   53.259     87.679   22.304     90.566   12.599  6.3381  12.087  6.1209  0.5113697      8.811172 
1 1 1 -30 -1  1  o 7.7331  3.8728  -53.2453   30.886   -78.1009   40.695   -19.4769   47.433   8.2832  4.1854  10.603  5.2203  -2.319941      6.691000 
1 1 1 -30 -1  2  o 11.507  5.4305  11.410     39.616   -12.5393   54.172   38.942     58.083   11.229  5.5382  13.194  6.3242  -1.965066      8.406363 
1 1 1 -30 -1  3  o 14.029  6.2027  48.448     41.578   95.213     55.026   -13.7806   63.475   16.439  7.2066  11.614  5.7743  4.825384       9.234592 
1 1 1 -30 -1  4  o 19.033  7.2602  107.689    46.589   -2.9548    66.098   216.928    65.677   12.021  5.9626  24.558  8.7475  -12.53695      10.58643 
1 1 1 -30 -1  5  o 10.462  5.1157  -17.2479   43.177   35.472     62.362   -65.7896   59.840   13.192  6.3803  10.268  5.1745  2.924709       8.214804 
1 1 1 -30 -1  6  o 13.328  6.4970  37.378     68.109   -1.0485    76.240   189.244    151.565  12.412  6.1962  ?       ?       0.000000       6.196177 
1 1 1 -30 -1  7  o 10.309  5.2055  -74.1711   62.305   -88.7413   68.235   -1.0985    152.810  10.401  5.2719  ?       ?       0.000000       5.271912 
1 1 1 -30 -1  8  o 13.593  6.2385  40.500     46.823   -74.1386   70.238   132.195    62.818   10.799  5.4602  18.444  7.8913  -7.645376      9.596159 
1 1 1 -30 -1  9  o 20.030  7.5951  121.982    50.794   117.928    71.171   126.189    72.516   16.680  7.6687  16.972  7.7798  -0.2914925     10.92397 
1 1 1 -30 -1  10 o 15.515  6.8820  70.793     51.591   116.772    68.469   10.395     78.472   16.942  7.6866  12.906  6.4174  4.036237       10.01336 
1 1 1 -30 -1  11 o 24.096  8.6973  200.367    65.142   166.520    82.529   256.307    106.099  18.045  8.2820  18.888  8.9059  -0.8432064     12.16174 
1 1 1 -30 -1  12 o 12.764  6.3785  -1.9647    81.719   247.144    247.658  -32.4007   86.567   ?       ?       12.303  6.2030  0.000000       6.203045 
1 1 1 -30 -1  13 o 11.600  5.8302  -46.0706   73.211   -174.4455  188.201  -23.1807   79.470   ?       ?       12.290  6.1630  0.000000       6.163002 
1 1 1 -30 -1  14 o 12.854  6.0794  23.305     50.150   30.589     67.563   14.368     74.840   13.424  6.5275  13.049  6.4495  0.3745413      9.176265 
1 1 1 -30 -1  15 o 12.013  5.7979  4.0530     50.854   -37.5593   66.745   61.639     78.518   11.505  5.7514  14.408  7.0131  -2.903402      9.069818 
1 1 1 -30 -1  16 o 10.468  5.1849  -36.1340   49.323   -80.2772   62.955   34.027     79.368   10.371  5.2362  13.622  6.7154  -3.251081      8.515506 
1 1 1 -30 -1  17 o 8.6566  4.3964  -109.5216  49.154   -156.1146  63.023   -37.1655   78.538   ?       ?       11.991  6.0282  0.000000       6.028214 
1 1 1 -30 -1  18 o 15.908  7.6634  119.492    87.826   86.497     258.229  123.808    93.393   ?       ?       15.794  7.6789  0.000000       7.678853 
1 1 1 -30 -1  19 o 13.391  6.3622  33.755     56.121   1.1049     72.815   81.533     88.083   12.616  6.2579  14.748  7.2314  -2.131537      9.563196 
1 1 1 -30 -1  20 o 20.965  8.4063  166.923    65.099   179.863    83.221   146.520    104.495  18.558  8.4407  15.821  7.7812  2.737527       11.48012 
1 1 1 -30 -1  21 o 13.711  6.4967  42.495     57.773   13.169     73.271   90.694     93.933   12.862  6.3612  14.750  7.2780  -1.888449      9.666182 
1 1 1 -30 -1  22 o 15.192  7.4004  104.249    87.929   115.127    101.924  72.594     173.868  15.044  7.4515  ?       ?       0.000000       7.451460 
1 1 1 -30 -1  23 o 13.721  6.8445  49.415     92.281   -6.2765    109.852  182.954    170.104  12.931  6.5677  ?       ?       0.000000       6.567723 
1 1 1 -30 -1  24 o ?       ?       -107.5046  80.156   -148.2043  92.933   10.741     158.404  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -1  25 o 13.751  6.6619  51.289     68.705   -5.7252    95.252   113.120    99.195   12.635  6.3863  14.819  7.3423  -2.183929      9.731112 
1 1 1 -30 -1  26 o 11.130  5.5645  -33.1186   62.523   127.872    82.262   -253.3198  96.207   15.861  7.5819  ?       ?       0.000000       7.581914 
1 1 1 -30 -1  27 o 15.339  7.2747  101.130    72.761   108.871    100.739  92.687     105.205  14.534  7.2341  14.144  7.0925  0.3903723      10.13094 
1 1 1 -30 -1  28 o 13.808  6.6940  58.567     69.625   44.448     93.447   76.187     104.389  13.307  6.6747  13.806  6.9416  -0.4985638     9.630018 
1 1 1 -30 -1  29 o 13.860  7.0196  92.852     119.393  651.761    331.032  9.2765     128.008  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -1  30 o ?       ?       -107.6081  115.157  20.871     321.420  -126.5287  123.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 -1  31 o 15.117  7.2218  102.701    74.381   140.138    103.926  63.386     106.503  14.880  7.3969  13.487  6.8098  1.393379       10.05423 
1 1 1 -30 -1  32 o 12.299  6.0829  11.958     67.001   -28.6367   91.072   59.852     98.921   11.995  6.0809  13.470  6.7710  -1.475315      9.100761 
1 1 1 -30 -1  33 o 18.133  8.2324  180.873    78.710   259.845    108.696  93.814     114.127  17.457  8.4381  13.880  7.0132  3.577147       10.97207 
1 1 1 -30 -1  34 o 13.083  6.4793  37.067     76.963   81.292     95.388   -45.4277   130.277  13.938  6.9539  ?       ?       0.000000       6.953897 
1 1 1 -30 -1  35 o 13.601  6.6193  53.019     69.889   58.036     93.838   46.769     104.733  13.542  6.7771  13.317  6.7273  0.2250357      9.549131 
1 1 1 -30 -1  36 o ?       ?       -120.0031  57.586   -22.1699   86.355   -198.3461  77.276   12.047  6.0883  ?       ?       0.000000       6.088325 
1 1 1 -30 -1  37 o 12.333  6.0508  15.766     61.945   46.558     91.848   -9.9273    83.899   13.282  6.6558  12.171  6.1330  1.110981       9.050581 
1 1 1 -30 -1  38 o 10.584  5.3737  -79.1469   72.996   -62.6619   79.564   -166.8000  183.466  11.111  5.6381  ?       ?       0.000000       5.638129 
1 1 1 -30 -1  39 o 13.497  6.7238  67.867     87.854   123.435    100.164  -117.4430  182.914  14.386  7.1688  ?       ?       0.000000       7.168847 
1 1 1 -30 -1  40 o 14.812  7.0230  98.131     67.717   93.401     100.098  102.122    91.952   13.598  6.8321  13.938  6.9332  -0.3400507     9.733738 
1 1 1 -30 -1  41 o 13.572  6.5509  70.372     64.968   51.542     94.320   87.370     89.616   12.698  6.4112  13.398  6.6931  -0.7000923     9.268308 
1 1 1 -30 -1  42 o 11.504  5.6898  13.979     58.608   -6.4933    81.393   36.023     84.461   11.442  5.7948  12.178  6.1383  -0.7359991     8.441521 
1 1 1 -30 0   1  o 9.0251  4.4774  -39.6602   37.342   -73.2971   50.810   -0.1538    55.065   9.3815  4.7328  11.670  5.7212  -2.288336      7.425090 
1 1 1 -30 0   2  o 14.864  6.5008  61.263     44.546   67.008     63.791   55.795     62.233   14.301  6.7911  13.870  6.6205  0.4310436      9.484167 
1 1 1 -30 0   3  o 11.170  5.3378  3.2876     40.695   -20.1989   55.152   31.357     60.293   11.087  5.4900  12.968  6.2722  -1.880585      8.335521 
1 1 1 -30 0   4  o 14.808  6.5445  60.659     46.245   84.981     66.875   38.369     64.020   15.075  7.0967  13.285  6.4349  1.790694       9.579712 
1 1 1 -30 0   5  o 11.521  5.7027  -14.4303   59.332   -2.6542    69.419   -46.3531   114.295  12.191  6.0575  ?       ?       0.000000       6.057482 
1 1 1 -30 0   6  o 11.683  5.7237  -4.0714    54.837   -31.0408   61.260   104.679    123.015  11.200  5.5853  14.338  7.2477  -3.137971      9.150154 
1 1 1 -30 0   7  o 18.656  7.2633  102.762    47.310   118.438    65.034   85.140     68.952   17.199  7.6719  15.202  7.1714  1.996842       10.50176 
1 1 1 -30 0   8  o 13.124  6.0384  32.466     44.250   96.627     60.661   -40.5062   64.692   16.402  7.3561  11.215  5.6148  5.187038       9.254073 
1 1 1 -30 0   9  o 15.418  6.8848  70.492     52.520   87.134     66.865   43.688     84.857   15.535  7.2424  13.733  6.8019  1.801713       9.935725 
1 1 1 -30 0   10 o 13.562  6.3019  38.214     49.963   58.322     66.257   11.707     76.071   14.355  6.8461  12.924  6.4080  1.430852       9.377165 
1 1 1 -30 0   11 o 13.141  6.5324  15.961     81.042   -14.8030   254.563  19.431     85.490   ?       ?       13.276  6.6169  0.000000       6.616859 
1 1 1 -30 0   12 o 12.592  6.3124  -12.7386   82.986   -136.4900  264.026  0.8269     87.416   ?       ?       12.951  6.4905  0.000000       6.490480 
1 1 1 -30 0   13 f 13.719  6.3160  39.527     48.503   35.385     65.336   44.611     72.394   13.575  6.5566  13.907  6.7612  -0.3322716     9.418286 
1 1 1 -30 0   14 f 15.910  7.1103  78.837     56.146   2.0166     80.709   150.873    78.156   12.879  6.4205  17.957  8.1721  -5.078397      10.39265 
1 1 1 -30 0   15 o 11.448  5.6232  -15.7618   54.010   -30.0336   78.057   -2.6526    74.810   12.132  6.0874  12.636  6.2803  -0.5035677     8.746305 
1 1 1 -30 0   16 o 11.878  5.8588  -12.5808   60.677   -92.1872   92.734   47.016     80.237   ?       ?       13.977  6.8633  0.000000       6.863253 
1 1 1 -30 0   17 o 13.593  6.7268  32.611     82.384   174.200    259.147  16.693     86.892   ?       ?       13.275  6.6251  0.000000       6.625146 
1 1 1 -30 0   18 o 14.061  6.6961  48.700     62.908   11.601     89.427   85.042     88.509   13.180  6.5991  14.866  7.2809  -1.686067      9.826447 
1 1 1 -30 0   19 o 15.835  7.2996  89.368     65.088   66.751     92.480   111.568    91.624   14.312  7.0907  15.458  7.5356  -1.146337      10.34713 
1 1 1 -30 0   20 o 13.884  6.6276  46.273     62.381   37.068     88.979   55.170     87.479   13.617  6.7812  14.027  6.9400  -0.4097319     9.702978 
1 1 1 -30 0   21 o 12.869  6.2372  21.701     60.348   15.716     78.132   30.551     95.014   12.989  6.4495  13.459  6.7481  -0.4699183     9.334518 
1 1 1 -30 0   22 o 14.519  7.1085  77.767     84.153   120.830    95.047   -78.4423   181.027  15.362  7.5282  ?       ?       0.000000       7.528212 
1 1 1 -30 0   23 o 16.170  7.7682  141.478    88.749   168.352    100.387  45.322     189.891  16.267  7.9205  ?       ?       0.000000       7.920527 
1 1 1 -30 0   24 o 11.151  5.5525  -28.7615   59.602   -62.6590   77.206   21.237     93.767   11.252  5.6926  13.099  6.5854  -1.847670      8.704836 
1 1 1 -30 0   25 o 12.466  6.1371  12.232     65.528   -54.0507   87.745   95.809     98.530   11.715  5.9420  14.434  7.1794  -2.718789      9.319359 
1 1 1 -30 0   26 o 12.072  5.9795  -0.2893    65.647   -48.4300   87.241   62.548     99.672   11.742  5.9525  13.711  6.8796  -1.969274      9.097284 
1 1 1 -30 0   27 o 14.155  6.8097  66.874     68.777   139.200    91.508   -27.0244   104.266  15.567  7.5759  ?       ?       0.000000       7.575888 
1 1 1 -30 0   28 o ?       ?       -20.6970   104.692  -171.1422  257.058  9.2191     114.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 0   29 f ?       ?       -239.3271  98.351   111.635    290.386  -284.8029  104.529  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 0   30 o ?       ?       -70.1331   91.662   -134.6552  304.323  -63.6955   96.126   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 0   31 o 11.020  5.5395  -40.5246   66.291   35.580     91.178   -125.8646  96.552   13.054  6.5540  ?       ?       0.000000       6.553979 
1 1 1 -30 0   32 o 12.488  6.1844  16.978     70.078   11.568     96.347   23.056     102.115  12.682  6.4111  12.895  6.5264  -0.2122555     9.148532 
1 1 1 -30 0   33 o 11.121  5.5951  -40.4928   68.407   -78.7271   82.609   42.930     122.023  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 0   34 o 14.177  6.8131  69.423     68.400   63.229     89.969   77.906     105.292  13.652  6.8019  13.780  6.9341  -0.1276608     9.713279 
1 1 1 -30 0   35 o 22.961  9.1062  241.911    75.566   309.142    110.242  182.327    103.783  18.927  8.9700  15.947  7.8255  2.979513       11.90378 
1 1 1 -30 0   36 o 11.733  5.8099  -4.9829    61.783   -12.1894   92.409   0.8421     83.081   12.311  6.2285  12.378  6.2196  -0.6653404E-01 8.802161 
1 1 1 -30 0   37 o 13.506  6.5346  51.223     65.568   111.345    97.189   0.9989     88.829   14.472  7.1868  12.412  6.2612  2.059453       9.531646 
1 1 1 -30 0   38 o ?       ?       -104.8939  78.701   -124.0121  89.025   -36.5066   168.374  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 0   39 o 12.624  6.3109  29.349     80.331   79.874     89.567   -178.4377  181.635  13.638  6.7935  ?       ?       0.000000       6.793532 
1 1 1 -30 0   40 f 13.065  6.3642  51.963     65.008   -17.4586   93.696   116.401    90.269   11.804  6.0021  14.172  7.0185  -2.368036      9.234930 
1 1 1 -30 0   41 o 13.203  6.4309  64.929     66.358   54.700     95.055   74.653     92.680   12.613  6.3753  12.962  6.5205  -0.3494539     9.119231 
1 1 1 -30 1   1  o 15.882  6.8693  78.797     48.596   127.935    67.274   25.181     70.273   17.031  7.6831  12.805  6.3138  4.226851       9.944536 
1 1 1 -30 1   2  o 12.156  5.6896  20.737     41.937   120.887    59.152   -80.4733   59.465   17.743  7.6261  9.9037  5.0091  7.838833       9.124018 
1 1 1 -30 1   3  o 13.708  6.1380  43.774     42.054   -3.1502    57.263   98.713     61.961   11.722  5.7644  16.053  7.2945  -4.331217      9.297204 
1 1 1 -30 1   4  o 9.4267  4.7265  -58.8075   46.645   -60.8613   51.146   -48.6536   113.723  9.7583  4.9005  ?       ?       0.000000       4.900470 
1 1 1 -30 1   5  o 12.239  5.9229  12.584     53.960   41.893     59.420   -125.2675  128.866  13.500  6.4508  ?       ?       0.000000       6.450769 
1 1 1 -30 1   6  o 18.586  7.2921  103.872    47.972   97.417     65.410   111.386    70.570   15.939  7.3365  16.246  7.5281  -0.3070278     10.51180 
1 1 1 -30 1   7  o 10.276  5.0347  -22.5931   42.457   -21.1837   58.939   -24.1132   61.211   11.399  5.6500  11.429  5.6807  -0.3002357E-01 8.011990 
1 1 1 -30 1   8  f 19.186  7.8116  127.560    57.177   152.475    72.700   87.158     92.578   18.385  8.1616  14.665  7.2343  3.719479       10.90623 
1 1 1 -30 1   9  o 14.018  6.5731  48.158     56.412   57.297     73.019   34.626     88.848   14.194  6.8745  13.560  6.7564  0.6340094      9.638900 
1 1 1 -30 1   10 o 15.263  7.4345  101.451    88.677   -95.3000   232.878  134.818    95.902   ?       ?       15.925  7.7512  0.000000       7.751203 
1 1 1 -30 1   11 o 16.876  8.2146  191.584    107.772  0.0000     0.0000   191.584    107.772  ?       ?       16.876  8.2146  0.000000       8.214637 
1 1 1 -30 1   12 o 12.609  6.2695  -2.8757    74.865   -226.4872  254.628  18.284     78.327   ?       ?       13.194  6.5348  0.000000       6.534815 
1 1 1 -30 1   13 o 11.400  5.6075  -17.5197   54.317   8.2897     82.503   -37.2650   72.162   13.042  6.5001  11.751  5.8903  1.290173       8.771962 
1 1 1 -30 1   14 o 11.640  5.6969  -9.8241    53.892   -166.3385  82.248   107.931    71.341   ?       ?       16.459  7.6066  0.000000       7.606620 
1 1 1 -30 1   15 f 19.002  8.0452  136.855    64.104   146.030    95.418   129.307    86.545   16.405  7.9235  16.360  7.8085  0.4477119E-01  11.12450 
1 1 1 -30 1   16 o 9.7259  4.8853  -67.9840   50.990   -149.8224  78.022   -6.9710    67.367   ?       ?       12.290  6.0821  0.000000       6.082096 
1 1 1 -30 1   17 o 12.510  6.0889  9.4296     59.165   -67.8583   86.488   77.412     81.114   11.739  5.9485  14.815  7.1918  -3.075341      9.333123 
1 1 1 -30 1   18 f 10.891  5.4453  -46.1944   59.902   -9.2338    91.777   -73.6261   79.066   12.814  6.4516  11.333  5.7366  1.481626       8.633152 
1 1 1 -30 1   19 o 17.249  7.7218  117.916    66.520   99.185     95.088   135.868    93.091   14.997  7.3851  16.055  7.7724  -1.057993      10.72150 
1 1 1 -30 1   20 f 15.934  7.3353  93.663     65.417   87.493     88.844   100.970    96.678   14.782  7.2510  14.936  7.3724  -0.1539936     10.34067 
1 1 1 -30 1   21 o 14.285  6.9717  65.602     79.084   63.715     89.253   72.496     170.603  14.119  6.9898  ?       ?       0.000000       6.989783 
1 1 1 -30 1   22 o 12.930  6.4438  15.016     81.017   -42.6347   92.634   202.600    167.096  12.132  6.1483  ?       ?       0.000000       6.148254 
1 1 1 -30 1   23 o 11.601  5.7846  -22.5016   65.622   -142.1288  90.675   109.052    95.088   ?       ?       14.927  7.3572  0.000000       7.357235 
1 1 1 -30 1   24 f 13.822  6.7580  55.340     75.313   -25.7685   95.652   187.648    122.167  12.343  6.2547  15.514  7.7596  -3.170696      9.966548 
1 1 1 -30 1   25 o 15.015  7.1094  86.546     68.923   152.957    92.555   3.8727     103.268  16.037  7.7602  12.823  6.4977  3.214316       10.12134 
1 1 1 -30 1   26 o 11.349  5.6794  -28.7068   65.870   4.5769     87.798   -71.5638   99.628   12.597  6.3382  ?       ?       0.000000       6.338159 
1 1 1 -30 1   27 o 15.205  7.6097  177.378    118.324  165.490    238.861  181.245    136.210  ?       ?       14.754  7.4749  0.000000       7.474862 
1 1 1 -30 1   28 f 13.413  6.8031  56.354     114.962  222.442    246.805  10.333     129.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 1   29 o 15.483  7.7595  215.850    125.042  252.396    266.295  205.513    141.627  ?       ?       14.815  7.5177  0.000000       7.517706 
1 1 1 -30 1   30 o 22.203  9.1343  249.864    79.199   368.693    110.647  125.022    113.412  20.795  9.5610  14.352  7.2185  6.443687       11.97997 
1 1 1 -30 1   31 o 12.570  6.2273  19.607     71.281   -51.6391   96.044   106.973    106.355  ?       ?       14.193  7.1193  0.000000       7.119344 
1 1 1 -30 1   32 o 21.611  9.1148  251.542    81.782   282.638    110.982  214.592    120.979  17.862  8.6071  15.614  7.7966  2.247810       11.61335 
1 1 1 -30 1   33 o 13.318  6.5754  46.306     77.059   120.760    96.397   -85.4941   128.257  14.759  7.2989  ?       ?       0.000000       7.298919 
1 1 1 -30 1   34 o 11.514  5.7100  -11.5079   60.493   -69.6221   92.855   31.346     79.737   ?       ?       12.991  6.4613  0.000000       6.461341 
1 1 1 -30 1   35 o ?       ?       -143.3842  53.491   -259.3457  78.214   -41.4818   73.320   ?       ?       11.326  5.7105  0.000000       5.710460 
1 1 1 -30 1   36 o 13.520  6.5276  50.350     64.612   53.918     96.233   47.421     87.186   13.404  6.7300  13.308  6.6408  0.9594440E-01  9.454761 
1 1 1 -30 1   37 o 11.452  5.8063  -48.3415   83.271   -58.3288   94.561   -13.8479   175.734  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 1   38 o 10.568  5.3701  -78.3376   74.041   -33.3940   81.668   -285.8045  175.465  11.548  5.8438  ?       ?       0.000000       5.843789 
1 1 1 -30 1   39 o 11.610  5.7538  2.4486     61.051   -122.5447  89.525   111.108    83.471   ?       ?       14.438  7.0711  0.000000       7.071087 
1 1 1 -30 1   40 o 11.220  5.5999  -7.2983    62.136   -8.5973    91.380   -6.1812    84.743   11.782  5.9847  11.724  5.9354  0.5735588E-01  8.428813 
1 1 1 -30 1   41 o ?       ?       -65.1574   78.503   -35.3764   87.625   -186.2622  176.701  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 2   1  o 12.601  5.8431  28.306     42.616   42.386     56.386   9.5488     65.083   13.361  6.3563  12.285  6.0609  1.076091       8.782790 
1 1 1 -30 2   2  o 14.193  6.3520  52.233     44.977   15.937     64.324   86.957     62.915   12.492  6.1363  15.305  7.0978  -2.812422      9.382607 
1 1 1 -30 2   3  o 11.935  5.8325  4.4482     55.890   -25.7983   61.508   147.700    133.857  11.270  5.6163  14.566  7.3829  -3.296274      9.276341 
1 1 1 -30 2   4  o 12.880  6.2105  27.615     58.038   43.306     63.371   -54.0089   144.539  13.503  6.5060  ?       ?       0.000000       6.506046 
1 1 1 -30 2   5  o 16.059  6.9892  80.884     50.937   78.958     73.776   82.638     70.413   14.684  7.0616  14.939  7.1060  -0.2546921     10.01805 
1 1 1 -30 2   6  o 15.462  6.8771  72.691     51.860   114.638    77.356   38.449     69.892   15.938  7.5420  13.441  6.5588  2.496682       9.995001 
1 1 1 -30 2   7  o 17.593  7.7408  121.804    64.000   248.174    92.675   6.5883     88.491   20.175  9.0671  12.905  6.4759  7.269876       11.14221 
1 1 1 -30 2   8  o 14.123  6.6739  52.348     60.187   55.083     81.579   49.081     89.161   14.007  6.8864  13.830  6.8709  0.1765890      9.727909 
1 1 1 -30 2   9  o 13.378  6.6518  27.360     84.297   -19.9965   187.797  39.309     94.335   ?       ?       13.678  6.8380  0.000000       6.837962 
1 1 1 -30 2   10 o 15.483  7.5399  112.038    91.061   -109.8437  228.413  153.968    99.293   ?       ?       16.290  7.9192  0.000000       7.919196 
1 1 1 -30 2   11 o 13.713  6.6945  39.883     73.060   -169.1866  242.536  60.748     76.619   ?       ?       14.347  6.9705  0.000000       6.970475 
1 1 1 -30 2   12 o 11.471  5.6651  -20.0899   57.349   48.175     86.438   -73.7671   76.648   13.963  6.9067  11.241  5.6857  2.722111       8.945948 
1 1 1 -30 2   13 o 10.557  5.2771  -50.5961   56.118   -13.5945   87.039   -76.9200   73.414   12.678  6.3701  11.036  5.5804  1.642047       8.468726 
1 1 1 -30 2   14 o 13.933  6.6098  44.737     60.148   94.618     90.677   5.5466     80.375   15.106  7.3922  12.931  6.4402  2.175122       9.804112 
1 1 1 -30 2   15 o 18.341  7.8773  126.038    63.031   26.672     92.023   213.855    86.511   13.520  6.7581  19.985  8.8859  -6.464488      11.16384 
1 1 1 -30 2   16 o 12.001  5.9906  -23.2228   71.227   352.320    210.008  -72.0374   75.715   ?       ?       11.221  5.6734  0.000000       5.673389 
1 1 1 -30 2   17 o 15.766  7.2855  88.118     65.425   85.415     93.336   90.728     91.735   14.748  7.2730  14.913  7.3258  -0.1645365     10.32299 
1 1 1 -30 2   18 o 17.342  7.7556  120.199    66.919   81.705     95.870   156.775    93.451   14.576  7.2211  16.683  8.0033  -2.107316      10.77949 
1 1 1 -30 2   19 f 13.017  6.3510  22.795     65.477   103.807    92.230   -59.5239   92.971   15.130  7.4148  11.989  6.0846  3.140752       9.591737 
1 1 1 -30 2   20 o 13.120  6.5268  20.420     81.527   19.364     93.283   23.837     167.766  13.217  6.6348  ?       ?       0.000000       6.634789 
1 1 1 -30 2   21 o 13.974  6.9029  58.574     85.356   28.518     97.802   154.634    174.848  13.354  6.7150  ?       ?       0.000000       6.714982 
1 1 1 -30 2   22 o 10.652  5.4169  -99.9323   76.419   -120.8698  86.631   -26.4965   162.243  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 2   23 o 14.886  7.0210  78.425     66.026   107.313    86.599   38.318     102.040  15.096  7.3516  13.403  6.7547  1.692974       9.983560 
1 1 1 -30 2   24 o 12.639  6.2155  18.000     66.609   96.858     89.656   -79.1466   99.511   14.635  7.2000  ?       ?       0.000000       7.199960 
1 1 1 -30 2   25 o 14.399  6.9149  73.437     70.174   -10.2610   99.304   156.921    99.177   12.535  6.3541  15.700  7.6930  -3.164388      9.977816 
1 1 1 -30 2   26 o 15.024  7.1103  89.687     68.790   86.216     95.933   93.360     98.695   14.115  7.0308  14.211  7.0874  -0.9671211E-01 9.983162 
1 1 1 -30 2   27 o 13.004  6.6027  24.439     110.400  10.314     227.823  28.774     126.209  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 2   28 o ?       ?       -39.0649   102.126  -518.9370  227.253  82.373     114.320  ?       ?       13.735  6.9466  0.000000       6.946618 
1 1 1 -30 2   29 o 17.194  8.0056  168.358    81.283   289.287    103.163  -29.6212   131.998  19.066  8.9237  ?       ?       0.000000       8.923721 
1 1 1 -30 2   30 o 12.871  6.3413  31.439     70.412   77.290     93.825   -27.6810   106.539  13.831  6.8996  ?       ?       0.000000       6.899613 
1 1 1 -30 2   31 o 11.147  5.6067  -38.3828   68.417   -63.8030   92.085   -7.0596    102.219  ?       ?       12.468  6.3327  0.000000       6.332706 
1 1 1 -30 2   32 o 12.643  6.3051  19.083     78.101   -27.6537   95.637   112.656    135.323  12.104  6.1458  ?       ?       0.000000       6.145846 
1 1 1 -30 2   33 o 12.393  6.1600  10.752     72.045   115.861    97.186   -117.4772  107.344  14.640  7.2559  ?       ?       0.000000       7.255949 
1 1 1 -30 2   34 f 19.946  8.5904  199.906    75.349   243.660    109.959  161.174    103.456  17.019  8.2873  15.445  7.6243  1.573473       11.26095 
1 1 1 -30 2   35 o 12.278  6.0572  11.689     64.943   -88.5602   94.556   101.202    89.350   ?       ?       14.521  7.1521  0.000000       7.152051 
1 1 1 -30 2   36 o 12.659  6.3304  20.097     81.136   17.673     88.640   32.625     201.491  12.680  6.3781  ?       ?       0.000000       6.378062 
1 1 1 -30 2   37 o 12.909  6.4499  36.408     83.423   6.3595     92.949   160.886    189.182  12.432  6.2855  ?       ?       0.000000       6.285451 
1 1 1 -30 2   38 o 10.791  5.4835  -68.0750   77.213   -138.8684  85.378   249.868    180.935  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 2   39 o 12.645  6.1791  39.595     62.687   156.631    88.158   -80.1061   89.156   15.272  7.4329  ?       ?       0.000000       7.432935 
1 1 1 -30 2   40 o 12.592  6.3054  51.238     81.737   20.134     90.110   195.674    194.177  12.047  6.1011  ?       ?       0.000000       6.101127 
1 1 1 -30 3   1  o 15.638  6.7461  73.198     46.626   63.547     61.689   86.059     71.209   14.204  6.7254  14.788  7.0650  -0.5841970     9.754230 
1 1 1 -30 3   2  o 11.301  5.6501  -28.7169   64.452   -9.1354    73.086   -97.2189   136.698  12.050  6.0233  ?       ?       0.000000       6.023309 
1 1 1 -30 3   3  o 11.845  5.9202  -16.5778   70.539   -32.8414   80.484   37.300     146.490  11.826  5.9651  ?       ?       0.000000       5.965072 
1 1 1 -30 3   4  o 11.606  5.5998  3.9633     47.363   -73.3182   72.547   61.372     62.528   10.846  5.4906  14.247  6.7533  -3.401919      8.703599 
1 1 1 -30 3   5  o 15.043  6.8249  69.300     53.974   82.844     82.392   59.118     71.435   14.575  7.1140  14.049  6.8031  0.5259857      9.843363 
1 1 1 -30 3   6  o 12.156  5.9253  6.7699     56.612   -35.6996   84.441   41.445     76.300   12.013  6.0652  13.537  6.6563  -1.524102      9.005161 
1 1 1 -30 3   7  o 11.132  5.5208  -26.3731   56.598   -73.3886   82.242   15.928     78.010   11.366  5.7638  12.947  6.4313  -1.580848      8.636087 
1 1 1 -30 3   8  o 13.850  6.8621  50.077     86.632   -93.6858   178.054  94.665     99.160   ?       ?       14.710  7.2975  0.000000       7.297512 
1 1 1 -30 3   9  o 15.165  7.4441  106.601    94.135   -14.7999   192.361  144.829    107.943  ?       ?       15.611  7.7211  0.000000       7.721118 
1 1 1 -30 3   10 o 18.881  8.6017  196.387    86.871   211.762    210.145  193.218    95.404   ?       ?       17.775  8.4006  0.000000       8.400558 
1 1 1 -30 3   11 o 14.537  6.7961  58.800     59.526   87.512     85.990   32.382     82.485   14.951  7.2909  13.530  6.7019  1.421334       9.903126 
1 1 1 -30 3   12 o 14.124  6.6474  49.546     58.606   79.740     82.527   18.828     83.240   14.824  7.2096  13.237  6.5866  1.586388       9.765332 
1 1 1 -30 3   13 o 10.414  5.2021  -49.9938   54.113   -82.0393   74.475   -14.1557   78.759   10.984  5.5611  12.435  6.2213  -1.450780      8.344470 
1 1 1 -30 3   14 o 14.107  6.5998  48.523     56.323   40.778     78.003   56.959     81.411   13.748  6.7541  14.186  6.9552  -0.4380550     9.694981 
1 1 1 -30 3   15 o 14.741  7.0960  72.244     74.982   187.221    214.274  56.200     80.043   ?       ?       14.162  6.9335  0.000000       6.933514 
1 1 1 -30 3   16 o 15.470  6.9959  73.649     56.176   99.123     74.627   40.341     85.334   15.740  7.4360  13.716  6.7984  2.023902       10.07533 
1 1 1 -30 3   17 o 22.746  8.4587  178.452    62.349   189.747    85.108   165.369    91.600   18.763  8.5346  17.079  8.1182  1.683895       11.77902 
1 1 1 -30 3   18 o 13.252  6.4087  30.812     62.903   -26.7715   88.553   89.461     89.370   12.365  6.2392  14.815  7.2681  -2.449423      9.578785 
1 1 1 -30 3   19 o 14.822  7.1919  84.396     80.875   140.664    90.844   -130.6006  177.573  16.161  7.7872  ?       ?       0.000000       7.787244 
1 1 1 -30 3   20 o 12.833  6.4170  8.6334     83.306   48.793     95.003   -124.9995  173.300  13.715  6.8572  ?       ?       0.000000       6.857216 
1 1 1 -30 3   21 o 14.601  7.1408  84.574     84.244   133.499    94.966   -96.1187   182.506  15.570  7.6080  ?       ?       0.000000       7.607966 
1 1 1 -30 3   22 o 16.428  7.4952  110.440    66.270   118.662    90.437   100.907    97.389   15.268  7.4524  14.617  7.2478  0.6513128      10.39567 
1 1 1 -30 3   23 f 14.425  6.9422  73.411     71.661   19.854     100.961  127.789    101.731  13.049  6.5933  15.002  7.4334  -1.953614      9.936091 
1 1 1 -30 3   24 o 13.756  6.7398  57.107     76.058   -2.0901    104.145  124.768    111.341  12.710  6.4495  14.606  7.3206  -1.896192      9.756395 
1 1 1 -30 3   25 f 11.612  5.8163  -22.3873   69.768   -119.8649  92.645   105.313    106.039  ?       ?       14.305  7.1657  0.000000       7.165710 
1 1 1 -30 3   26 o 13.081  6.6422  30.436     111.817  -12.8325   242.399  42.132     126.027  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 3   27 o ?       ?       12.406     112.823  201.039    244.689  -38.5257   127.145  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 3   28 o 10.690  5.4025  -61.0384   68.015   -84.1161   90.087   -30.4452   103.723  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 3   29 o 17.565  8.0228  163.899    76.198   177.149    103.061  147.924    113.169  15.692  7.7197  14.697  7.3681  0.9948492      10.67160 
1 1 1 -30 3   30 o 12.990  6.3976  35.988     71.449   50.085     97.234   19.443     105.340  13.282  6.6808  12.833  6.5092  0.4485645      9.327494 
1 1 1 -30 3   31 o 15.487  7.4251  122.561    80.185   123.572    101.347  120.869    131.115  14.610  7.2692  13.994  7.1142  0.6159477      10.17119 
1 1 1 -30 3   32 o ?       ?       -130.4145  64.002   -148.0785  86.369   -108.9024  95.314   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 3   33 o 11.971  5.9882  -8.2523    72.824   -99.7548   98.632   101.412    107.978  ?       ?       14.127  7.0976  0.000000       7.097630 
1 1 1 -30 3   34 o 13.360  6.5016  46.197     67.371   114.429    93.559   -27.2887   97.094   14.708  7.2586  12.157  6.1746  2.551442       9.529613 
1 1 1 -30 3   35 o 12.852  6.2728  32.069     64.044   112.556    91.566   -45.0146   89.609   14.667  7.2272  11.714  5.9479  2.952685       9.359992 
1 1 1 -30 3   36 o 11.921  6.0129  -15.3687   81.802   45.777     89.247   -336.6729  204.582  13.129  6.5762  ?       ?       0.000000       6.576231 
1 1 1 -30 3   37 o ?       ?       225.514    211.080  0.0000     0.0000   225.514    211.080  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 3   38 o 17.704  7.9385  165.898    70.610   192.261    99.940   139.622    99.776   15.548  7.6397  14.390  7.1683  1.158330       10.47615 
1 1 1 -30 3   39 o 11.912  6.0299  7.0743     87.391   22.859     95.920   -70.0321   212.002  12.204  6.1923  ?       ?       0.000000       6.192314 
1 1 1 -30 3   40 o ?       ?       -400.7068  303.296  -400.7068  303.296  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   1  o 11.873  5.9348  -12.4405   70.936   -11.7183   81.623   -14.6698   143.398  12.159  6.1166  ?       ?       0.000000       6.116647 
1 1 1 -30 4   2  o 11.441  5.7621  -38.9657   73.526   -99.7921   84.508   150.516    149.153  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   3  o 10.596  5.2106  -20.1821   46.770   10.054     69.564   -45.1240   63.181   12.464  6.1706  10.889  5.4653  1.575073       8.242949 
1 1 1 -30 4   4  o 9.2696  4.6552  -63.2517   46.178   -26.3190   73.406   -87.4392   59.405   11.758  5.8999  9.8138  4.9682  1.943788       7.713089 
1 1 1 -30 4   5  o 11.658  5.6954  -2.0757    53.138   1.9771     75.388   -6.0775    74.912   12.469  6.2144  12.275  6.1300  0.1936674      8.728991 
1 1 1 -30 4   6  o 14.341  6.6470  57.100     55.064   80.791     75.995   30.916     79.895   14.733  7.1048  13.262  6.5740  1.470923       9.679603 
1 1 1 -30 4   7  o 12.701  6.3783  -1.5016    86.645   -55.6295   255.427  5.5366     92.106   ?       ?       12.913  6.4963  0.000000       6.496330 
1 1 1 -30 4   8  o 12.697  6.3708  -2.7331    85.549   -222.0482  185.075  56.861     96.475   ?       ?       13.933  6.9579  0.000000       6.957925 
1 1 1 -30 4   9  o 13.432  6.6209  33.317     77.057   157.588    186.512  7.7386     84.616   ?       ?       12.921  6.4618  0.000000       6.461794 
1 1 1 -30 4   10 o 14.854  6.8509  64.926     57.436   81.179     75.487   42.581     88.512   14.959  7.1806  13.723  6.8225  1.235787       9.904881 
1 1 1 -30 4   11 o 11.416  5.5958  -12.2390   52.591   -103.6477  72.070   91.875     76.916   10.470  5.3180  15.322  7.3265  -4.852109      9.053113 
1 1 1 -30 4   12 o 16.168  7.2436  87.965     58.658   129.628    78.851   36.337     87.776   16.722  7.8186  13.618  6.7741  3.103235       10.34504 
1 1 1 -30 4   13 o 12.094  5.8746  3.9480     54.348   25.024     74.012   -20.7146   80.063   13.242  6.5196  12.299  6.1703  0.9423094      8.976551 
1 1 1 -30 4   14 o 9.9995  5.0862  -116.6866  67.676   0.0000     0.0000   -116.6866  67.676   ?       ?       9.9995  5.0862  0.000000       5.086164 
1 1 1 -30 4   15 o 14.209  6.6219  51.729     55.816   -12.8203   77.833   120.073    80.088   12.380  6.1923  16.210  7.6718  -3.830361      9.859113 
1 1 1 -30 4   16 o 16.831  7.4354  100.731    59.631   33.586     82.614   173.764    86.160   13.482  6.6833  17.843  8.2860  -4.361794      10.64539 
1 1 1 -30 4   17 o 13.456  6.3614  37.534     54.799   37.731     76.458   37.326     78.580   13.526  6.6534  13.522  6.6693  0.4168510E-02  9.420587 
1 1 1 -30 4   18 o 14.411  7.0830  74.952     86.116   48.742     96.262   179.993    192.708  13.745  6.8767  ?       ?       0.000000       6.876682 
1 1 1 -30 4   19 o 13.499  6.7250  39.284     87.857   106.496    98.938   -211.3811  191.066  14.838  7.3482  ?       ?       0.000000       7.348247 
1 1 1 -30 4   20 o 13.070  6.5424  21.154     87.616   76.960     98.375   -192.9336  192.683  14.161  7.0642  ?       ?       0.000000       7.064248 
1 1 1 -30 4   21 o 12.826  6.2697  23.704     64.712   99.988     90.459   -56.2562   92.612   14.754  7.2531  11.841  6.0158  2.912418       9.423242 
1 1 1 -30 4   22 o 13.072  6.4204  31.556     70.359   30.194     101.095  32.835     97.984   13.199  6.6606  13.230  6.6616  -0.3166294E-01 9.420237 
1 1 1 -30 4   23 o 15.142  7.2639  101.433    76.986   228.915    113.005  -8.9797    105.167  16.599  8.1496  12.622  6.4123  3.977450       10.36985 
1 1 1 -30 4   24 o 15.658  7.4567  119.225    78.003   112.925    113.108  124.939    107.715  14.291  7.1906  14.609  7.3037  -0.3179474     10.24935 
1 1 1 -30 4   25 o 12.831  6.5156  13.229     107.672  -122.4577  237.408  48.366     120.811  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   26 o ?       ?       -3.8522    110.500  59.724     240.748  -20.8206   124.375  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   27 o ?       ?       -45.3631   103.609  -377.9930  243.119  28.455     114.530  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   28 o 22.993  9.5228  297.199    86.858   246.456    121.881  349.564    123.813  16.049  7.9832  18.093  8.8067  -2.043749      11.88652 
1 1 1 -30 4   29 o 13.726  6.7377  64.490     77.128   68.035     105.773  60.464     112.708  13.505  6.8150  13.362  6.7728  0.1430941      9.608075 
1 1 1 -30 4   30 o 10.463  5.3089  -79.9423   70.471   -120.6152  92.441   -23.5095   108.888  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   31 o 12.288  6.1330  6.8204     74.517   -10.0186   89.682   44.369     133.919  12.233  6.1839  ?       ?       0.000000       6.183861 
1 1 1 -30 4   32 o 12.543  6.2116  18.441     70.715   37.664     97.331   -3.0517    102.916  13.112  6.6066  12.548  6.3715  0.5638056      9.178439 
1 1 1 -30 4   33 o 13.092  6.4599  37.968     74.012   85.716     102.891  -13.2276   106.541  13.905  6.9785  ?       ?       0.000000       6.978482 
1 1 1 -30 4   34 o 14.508  7.0077  86.611     74.653   69.487     103.991  104.820    107.234  13.577  6.8397  14.118  7.0905  -0.5404930     9.851740 
1 1 1 -30 4   35 o 12.389  6.2611  2.0183     91.428   47.203     101.695  -188.4779  208.807  13.150  6.6416  ?       ?       0.000000       6.641600 
1 1 1 -30 4   36 o 12.030  6.0673  -5.8680    83.150   -8.3735    92.319   4.8988     191.377  12.136  6.1492  ?       ?       0.000000       6.149168 
1 1 1 -30 4   37 o ?       ?       -117.9137  64.600   -81.5449   91.814   -153.5687  90.909   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 4   38 o 14.742  7.0560  110.759    71.715   168.809    104.647  59.356     98.475   14.523  7.2515  12.808  6.4750  1.715146       9.721605 
1 1 1 -30 4   39 o 13.489  6.7646  116.405    95.760   116.405    95.760   0.0000     0.0000   13.489  6.7646  ?       ?       0.000000       6.764578 
1 1 1 -30 5   1  o 11.807  5.6818  10.575     47.969   9.4800     72.623   11.422     63.890   12.411  6.1718  12.291  6.0527  0.1206484      8.644436 
1 1 1 -30 5   2  o 11.436  5.4900  5.3595     44.146   -43.1307   58.159   71.275     67.809   10.621  5.3184  14.362  6.8706  -3.741280      8.688545 
1 1 1 -30 5   3  o 14.825  6.6169  63.347     48.457   63.596     66.884   63.071     70.301   14.145  6.7818  14.055  6.7917  0.9026051E-01  9.597893 
1 1 1 -30 5   4  o 10.712  5.3142  -28.9554   52.598   -40.9835   64.961   -6.0586    89.627   11.085  5.5607  12.516  6.3108  -1.431505      8.411173 
1 1 1 -30 5   5  o 8.8325  4.4626  -81.7063   46.177   -120.0335  59.539   -23.8520   73.150   ?       ?       11.817  5.9242  0.000000       5.924200 
1 1 1 -30 5   6  o 14.820  7.3252  105.891    96.623   370.487    261.992  64.236     103.951  ?       ?       13.888  6.9760  0.000000       6.975955 
1 1 1 -30 5   7  o 13.543  6.7347  41.412     86.521   -184.6772  253.560  71.206     92.046   ?       ?       14.177  7.0324  0.000000       7.032415 
1 1 1 -30 5   8  o 14.741  7.1493  82.221     79.650   -61.6776   196.761  110.422    87.106   ?       ?       15.360  7.4557  0.000000       7.455729 
1 1 1 -30 5   9  o 10.162  5.0792  -50.7485   51.964   -76.1188   68.224   -15.6924   80.197   10.669  5.3935  12.317  6.1786  -1.647548      8.201510 
1 1 1 -30 5   10 o 12.238  5.9308  9.0991     54.559   32.664     70.228   -26.7766   86.651   13.349  6.5269  12.297  6.2007  1.052547       9.002729 
1 1 1 -30 5   11 o 11.106  5.4813  -22.1150   53.402   -43.9129   71.189   5.9345     80.755   11.464  5.7600  12.813  6.3933  -1.349217      8.605353 
1 1 1 -30 5   12 o 11.821  5.7926  -4.7693    56.245   -14.1060   75.605   6.8015     84.166   12.260  6.1280  12.895  6.4483  -0.6346979     8.895639 
1 1 1 -30 5   13 o 13.137  6.5391  19.329     82.396   -74.1129   268.110  29.075     86.586   ?       ?       13.389  6.6708  0.000000       6.670795 
1 1 1 -30 5   14 o 14.130  6.6504  52.224     58.678   72.108     79.220   28.055     87.339   14.513  7.0596  13.360  6.6636  1.152760       9.707790 
1 1 1 -30 5   15 o 13.041  6.2267  28.626     55.134   33.787     74.885   22.517     81.473   13.397  6.5887  13.166  6.5455  0.2305908      9.287324 
1 1 1 -30 5   16 o 13.902  6.5450  47.980     56.907   61.074     77.911   33.007     83.316   14.140  6.9053  13.393  6.6517  0.7470293      9.587947 
1 1 1 -30 5   17 o 13.718  6.7961  48.479     84.912   60.139     94.571   -0.0132    192.866  13.932  6.9466  ?       ?       0.000000       6.946561 
1 1 1 -30 5   18 o 13.784  6.8505  54.091     88.978   -34.8505   101.787  342.259    183.216  12.402  6.3014  ?       ?       0.000000       6.301359 
1 1 1 -30 5   19 o 14.677  7.2378  97.489     92.449   85.714     106.046  134.778    188.714  14.194  7.1181  ?       ?       0.000000       7.118065 
1 1 1 -30 5   20 o 13.709  6.6632  51.173     70.198   237.587    104.306  -103.1587  94.907   17.723  8.4895  ?       ?       0.000000       8.489528 
1 1 1 -30 5   21 o 14.603  7.0827  85.623     78.215   72.253     118.718  95.877     103.968  13.753  6.9688  14.268  7.1397  -0.5155468     9.976969 
1 1 1 -30 5   22 o 12.993  6.3952  31.125     71.023   80.387     100.634  -17.7611   100.249  13.967  6.9943  12.420  6.3047  1.547673       9.416396 
1 1 1 -30 5   23 o 12.600  6.2408  18.229     71.449   37.488     101.805  -0.4661    100.299  13.180  6.6551  12.611  6.3919  0.5688992      9.227510 
1 1 1 -30 5   24 o 14.676  7.3003  125.512    101.969  286.134    231.755  86.952     113.551  ?       ?       13.803  6.9761  0.000000       6.976135 
1 1 1 -30 5   25 o 13.005  6.5758  32.059     101.947  -95.4296   225.515  64.805     114.292  ?       ?       13.449  6.8171  0.000000       6.817117 
1 1 1 -30 5   26 o 13.951  7.0098  95.256     105.411  -2.6273    251.105  116.196    116.140  ?       ?       14.105  7.1206  0.000000       7.120565 
1 1 1 -30 5   27 o 13.804  6.7907  69.721     79.707   47.704     108.955  95.071     116.910  13.178  6.6774  13.770  6.9708  -0.5918427     9.652978 
1 1 1 -30 5   28 o ?       ?       -132.4656  70.638   -163.8195  99.171   -100.1770  100.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 5   29 o 12.793  6.3773  28.682     79.536   95.322     106.845  -54.1384   119.113  13.893  6.9903  ?       ?       0.000000       6.990304 
1 1 1 -30 5   30 o 13.024  6.4831  38.111     81.011   -91.7058   107.530  208.510    123.196  ?       ?       15.299  7.6722  0.000000       7.672158 
1 1 1 -30 5   31 o 12.940  6.4341  33.305     78.854   23.254     108.374  44.612     114.949  12.894  6.5466  13.177  6.6951  -0.2825861     9.363872 
1 1 1 -30 5   32 o 21.102  9.2171  275.554    89.294   285.711    126.551  265.484    126.011  16.574  8.2258  16.234  8.0817  0.3405418      11.53159 
1 1 1 -30 5   33 o 11.909  5.9660  -9.2612    73.549   -117.4026  102.352  106.198    105.758  ?       ?       14.149  7.0972  0.000000       7.097233 
1 1 1 -30 5   34 o 15.486  7.5929  159.989    97.077   184.063    110.049  75.553     206.100  15.371  7.6360  ?       ?       0.000000       7.635968 
1 1 1 -30 5   35 o 13.593  6.7748  73.792     89.625   90.204     100.096  7.4298     201.280  13.753  6.8994  ?       ?       0.000000       6.899443 
1 1 1 -30 5   36 f 15.509  7.6346  188.423    101.344  149.154    115.310  321.709    212.440  14.195  7.1573  ?       ?       0.000000       7.157344 
1 1 1 -30 5   37 o 12.943  6.3797  52.994     71.533   29.763     94.416   84.298     109.601  12.417  6.2835  13.127  6.6564  -0.7105589     9.153690 
1 1 1 -30 5   38 f ?       ?       -0.2505    98.503   -0.2505    98.503   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 5   39 f ?       ?       192.525    399.214  192.525    399.214  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   1  o 11.634  5.5732  9.7650     44.969   -12.6511   60.478   37.483     67.251   11.476  5.6942  13.104  6.4026  -1.627329      8.568365 
1 1 1 -30 6   2  o 10.754  5.1758  -3.3166    39.838   5.1441     57.830   -10.9580   54.959   11.946  5.8580  11.317  5.5810  0.6291838      8.090986 
1 1 1 -30 6   3  o 11.949  5.8310  6.6828     55.276   17.487     68.359   -13.7265   93.953   12.598  6.2147  12.396  6.2724  0.2019987      8.829785 
1 1 1 -30 6   4  o 12.252  6.0106  9.6942     61.094   53.850     73.649   -87.7304   109.398  13.719  6.7027  ?       ?       0.000000       6.702720 
1 1 1 -30 6   5  o 13.761  6.8493  58.601     90.311   -108.3028  217.080  93.535     99.314   ?       ?       14.375  7.1595  0.000000       7.159531 
1 1 1 -30 6   6  o 14.548  7.2157  96.650     96.788   198.366    255.751  79.647     104.565  ?       ?       14.095  7.0685  0.000000       7.068498 
1 1 1 -30 6   7  o 16.053  7.7458  143.287    90.629   415.820    256.798  104.512    96.862   ?       ?       14.774  7.3082  0.000000       7.308181 
1 1 1 -30 6   8  o 11.593  5.7126  -10.5152   57.225   38.495     76.122   -74.2092   86.779   13.436  6.6148  11.475  5.8291  1.961426       8.816730 
1 1 1 -30 6   9  o 12.134  5.9359  4.3327     58.318   83.007     78.762   -91.1488   86.768   14.754  7.1443  ?       ?       0.000000       7.144333 
1 1 1 -30 6   10 o 12.704  6.1694  19.160     59.821   -58.6507   78.854   124.651    91.815   11.453  5.7904  15.562  7.5769  -4.109654      9.536093 
1 1 1 -30 6   11 o 12.239  5.9673  7.5265     57.538   -30.3699   76.781   56.066     86.896   11.900  5.9797  13.918  6.8916  -2.017774      9.124207 
1 1 1 -30 6   12 o 20.901  8.4822  175.754    67.148   221.606    93.582   127.094    96.405   18.783  8.6918  15.458  7.5769  3.324816       11.53066 
1 1 1 -30 6   13 o 10.968  5.4453  -29.7510   55.643   -86.7195   76.942   32.708     80.564   10.916  5.5398  13.354  6.6163  -2.437254      8.629268 
1 1 1 -30 6   14 o 13.780  6.5775  46.968     61.443   23.475     85.199   72.428     88.692   13.162  6.5673  14.266  7.0452  -1.104201      9.631443 
1 1 1 -30 6   15 o 10.901  5.4151  -30.6831   55.341   5.6482     77.313   -68.8571   79.250   12.639  6.2984  11.276  5.7117  1.363083       8.502572 
1 1 1 -30 6   16 o 12.762  6.2129  21.432     61.702   -45.0600   92.121   75.533     83.096   12.039  6.1046  14.367  7.0402  -2.327273      9.318321 
1 1 1 -30 6   17 o 11.972  6.0459  -33.8839   84.173   -72.2524   96.193   91.511     173.898  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   18 o 13.947  6.9348  67.368     91.572   6.9386     104.961  259.941    187.371  12.923  6.5487  ?       ?       0.000000       6.548749 
1 1 1 -30 6   19 o 18.082  8.1057  158.796    73.556   124.106    112.121  185.006    97.460   14.625  7.3324  16.644  8.0313  -2.018929      10.87506 
1 1 1 -30 6   20 o ?       ?       -109.2736  65.259   21.134     103.250  -196.0264  84.213   13.012  6.5832  ?       ?       0.000000       6.583209 
1 1 1 -30 6   21 o 16.208  7.5883  126.875    74.696   112.575    109.263  139.421    102.347  14.354  7.2023  15.057  7.4596  -0.7023821     10.36913 
1 1 1 -30 6   22 o 12.659  6.2836  20.383     73.963   40.710     106.432  1.3983     102.858  13.200  6.6790  12.634  6.4109  0.5656796      9.257945 
1 1 1 -30 6   23 o ?       ?       -98.4893   73.057   -80.5937   101.136  -118.0175  105.648  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   24 o 14.139  7.1266  115.921    113.759  0.0000     0.0000   115.921    113.759  ?       ?       14.139  7.1266  0.000000       7.126559 
1 1 1 -30 6   25 o 13.448  6.7959  67.045     107.566  -130.3940  248.212  112.699    119.356  ?       ?       13.966  7.0674  0.000000       7.067446 
1 1 1 -30 6   26 o 13.436  6.6200  55.759     76.734   100.642    112.632  16.885     104.824  13.863  7.0001  12.722  6.4570  1.141219       9.523351 
1 1 1 -30 6   27 o 11.225  5.6696  -42.2870   74.168   -35.1780   105.016  -49.3616   104.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   28 o 15.768  7.5637  141.406    83.424   147.689    114.469  134.289    121.834  14.534  7.3028  14.170  7.1671  0.3641748      10.23221 
1 1 1 -30 6   29 o ?       ?       -103.8510  76.300   -151.5539  102.431  -44.3896   114.360  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   30 o 11.624  5.8662  -29.0150   78.449   -149.3916  106.753  112.312    115.671  ?       ?       14.018  7.0802  0.000000       7.080153 
1 1 1 -30 6   31 o 17.074  8.0870  189.445    89.324   189.978    124.166  188.874    128.597  15.005  7.5477  14.852  7.4971  0.1525173      10.63834 
1 1 1 -30 6   32 o ?       ?       -107.0191  75.257   -5.6854    107.985  -202.7165  104.939  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   33 o 13.176  6.5416  46.630     80.307   8.3816     114.429  83.752     112.732  ?       ?       13.612  6.8860  0.000000       6.886037 
1 1 1 -30 6   34 o 13.130  6.6370  53.760     103.139  0.0044     112.298  343.560    260.741  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   35 o ?       ?       134.964    281.743  0.0000     0.0000   134.964    281.743  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   36 o 11.511  5.7735  -6.2857    69.854   103.567    91.634   -158.6840  107.930  13.791  6.8700  ?       ?       0.000000       6.870014 
1 1 1 -30 6   37 o ?       ?       -181.2801  78.029   -181.2801  78.029   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 6   38 o ?       ?       47.897     387.096  47.897     387.096  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   1  o 12.432  5.8385  26.088     44.802   12.510     64.551   38.708     62.232   12.280  6.0544  13.105  6.3468  -0.8246756     8.771363 
1 1 1 -30 7   2  o 19.165  7.7599  133.130    56.060   151.617    88.030   120.518    72.711   16.060  7.7207  16.039  7.5023  0.2029991E-01  10.76535 
1 1 1 -30 7   3  o 18.782  8.2850  174.748    73.765   135.078    90.107   255.349    128.439  15.493  7.5347  16.122  8.0474  -0.6287584     11.02416 
1 1 1 -30 7   4  o 13.594  6.9127  65.182     124.362  0.0000     0.0000   65.182     124.362  ?       ?       13.594  6.9127  0.000000       6.912743 
1 1 1 -30 7   5  o 13.562  6.7358  51.126     85.466   -52.6842   211.847  71.307     93.404   ?       ?       13.939  6.9424  0.000000       6.942400 
1 1 1 -30 7   6  o 15.473  7.1954  91.850     65.338   14.952     92.244   169.276    92.559   12.903  6.4924  16.575  7.9548  -3.671781      10.26791 
1 1 1 -30 7   7  f 13.182  6.3748  34.888     62.220   66.412     88.387   3.9203     87.603   13.972  6.9239  12.682  6.3744  1.289502       9.411338 
1 1 1 -30 7   8  o 13.546  6.5070  43.814     62.232   30.049     86.322   58.711     89.800   13.207  6.5930  13.818  6.8701  -0.6119308     9.521865 
1 1 1 -30 7   9  o 10.914  5.4312  -31.8782   56.668   -89.0597   74.543   46.411     87.223   10.708  5.4359  13.582  6.7555  -2.874044      8.670937 
1 1 1 -30 7   10 o 25.918  9.0063  240.874    69.310   260.345    94.728   218.441    101.680  20.092  9.0853  17.554  8.4018  2.537115       12.37470 
1 1 1 -30 7   11 o 11.860  5.8397  -4.1029    59.392   65.407     77.813   -101.1125  91.926   14.159  6.9115  ?       ?       0.000000       6.911547 
1 1 1 -30 7   12 o 9.9848  5.0298  -69.0043   56.194   -163.3765  79.023   27.535     79.925   ?       ?       13.144  6.5257  0.000000       6.525733 
1 1 1 -30 7   13 o 15.839  7.3289  98.461     66.529   176.023    96.295   27.629     92.022   16.667  8.0276  13.216  6.6282  3.450431       10.41035 
1 1 1 -30 7   14 o 16.028  7.3706  101.689    65.808   118.340    92.887   84.908     93.246   15.186  7.4420  14.365  7.1175  0.8206797      10.29767 
1 1 1 -30 7   15 o 14.104  6.7263  58.816     63.960   22.758     88.469   98.301     92.578   13.053  6.5394  14.656  7.2305  -1.603568      9.749101 
1 1 1 -30 7   16 o ?       ?       -149.5155  74.884   -191.1929  81.907   62.729     184.837  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   17 o 11.669  5.9028  -44.8671   82.748   -77.9703   91.348   106.519    195.347  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   18 o 12.087  5.9606  4.1986     62.696   39.728     88.116   -32.2305   89.225   13.269  6.6296  12.012  6.0818  1.257043       8.996695 
1 1 1 -30 7   19 o 10.946  5.4919  -40.3388   63.475   -36.6012   95.272   -43.3223   85.119   12.045  6.1175  11.699  5.9251  0.3460903      8.516475 
1 1 1 -30 7   20 o 13.500  6.5657  50.186     68.456   115.978    101.627  -4.4621    92.621   14.527  7.2361  12.429  6.2833  2.097634       9.583392 
1 1 1 -30 7   21 o 18.066  8.1866  176.176    77.379   138.465    115.852  206.549    103.971  14.506  7.2960  16.403  8.0030  -1.897472      10.82963 
1 1 1 -30 7   22 o 14.120  6.8800  77.221     76.131   74.659     104.859  80.078     110.712  13.615  6.8600  13.645  6.8957  -0.3040218E-01 9.726782 
1 1 1 -30 7   23 o 13.885  7.0136  102.079    113.605  0.0000     0.0000   102.079    113.605  ?       ?       13.885  7.0136  0.000000       7.013581 
1 1 1 -30 7   24 o 14.740  7.3422  142.643    104.569  -301.7835  247.486  239.229    115.374  ?       ?       16.170  7.9947  0.000000       7.994659 
1 1 1 -30 7   25 o ?       ?       -155.0105  67.535   -319.9345  107.376  -47.0670   86.869   ?       ?       11.520  5.8501  0.000000       5.850112 
1 1 1 -30 7   26 o 13.239  6.5353  50.157     76.047   -22.0513   111.023  113.978    104.377  ?       ?       14.159  7.0951  0.000000       7.095079 
1 1 1 -30 7   27 o 13.291  6.5522  52.073     75.536   -2.5469    110.982  99.210     103.100  ?       ?       13.923  6.9871  0.000000       6.987054 
1 1 1 -30 7   28 o 13.184  6.5400  48.258     79.629   79.734     111.589  15.600     113.664  13.528  6.8442  ?       ?       0.000000       6.844226 
1 1 1 -30 7   29 o 11.069  5.6001  -52.0671   74.721   41.519     108.475  -136.5684  103.075  13.039  6.6129  ?       ?       0.000000       6.612940 
1 1 1 -30 7   30 o 15.882  7.6051  143.786    83.532   170.028    121.134  119.993    115.344  14.730  7.4156  14.120  7.1244  0.6100883      10.28343 
1 1 1 -30 7   31 o ?       ?       -167.4653  75.650   -80.0815   108.702  -249.5404  105.348  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   32 o 11.173  5.6605  -52.5015   78.058   -33.9256   112.272  -69.8823   108.601  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   33 o ?       ?       -96.4016   104.884  -82.9193   115.143  -162.1074  254.189  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   34 o ?       ?       -203.1279  247.064  0.0000     0.0000   -203.1279  247.064  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   35 o 13.199  6.5627  66.901     82.028   31.608     115.820  102.421    116.191  ?       ?       13.332  6.7699  0.000000       6.769905 
1 1 1 -30 7   36 o ?       ?       24.670     112.613  24.670     112.613  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 7   37 o ?       ?       -34.3146   98.919   -34.3146   98.919   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   1  o 13.147  6.1337  39.576     48.097   -53.7142   77.083   99.053     61.549   11.184  5.6618  15.786  7.2103  -4.601323      9.167588 
1 1 1 -30 8   2  o 14.521  6.9876  83.971     72.516   105.063    224.464  81.513     76.625   ?       ?       14.304  6.9547  0.000000       6.954668 
1 1 1 -30 8   3  f 15.760  7.8127  198.882    112.903  316.445    219.748  156.718    131.602  ?       ?       14.483  7.3384  0.000000       7.338430 
1 1 1 -30 8   4  o ?       ?       10.734     117.078  0.0000     0.0000   10.734     117.078  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   5  o 16.030  7.3312  103.451    63.891   158.725    90.129   47.616     90.585   16.232  7.8056  13.400  6.6990  2.832373       10.28612 
1 1 1 -30 8   6  o 13.646  6.5345  49.597     61.688   37.293     86.429   62.373     88.075   13.220  6.5994  13.758  6.8340  -0.5378742     9.500310 
1 1 1 -30 8   7  o 13.834  6.6208  54.065     63.123   -10.8789   88.123   122.502    90.462   12.359  6.2346  15.228  7.4375  -2.869367      9.705022 
1 1 1 -30 8   8  o 15.200  7.1268  87.831     66.287   67.004     92.527   109.791    95.010   13.876  6.9109  14.779  7.2974  -0.9027576     10.05048 
1 1 1 -30 8   9  o 13.211  6.3685  36.772     60.909   53.228     80.466   14.693     93.207   13.673  6.7445  12.902  6.4967  0.7701664      9.364576 
1 1 1 -30 8   10 o 14.505  6.9451  73.763     69.625   93.189     88.921   42.982     111.932  14.572  7.1693  13.428  6.8002  1.144547       9.881370 
1 1 1 -30 8   11 o 15.992  7.3720  103.703    66.371   108.423    91.515   98.466     96.401   14.887  7.3139  14.520  7.2018  0.3668318      10.26441 
1 1 1 -30 8   12 o 13.610  6.5472  47.378     63.560   52.381     87.047   41.664     93.027   13.619  6.7698  13.389  6.7077  0.2299957      9.530138 
1 1 1 -30 8   13 o 12.567  6.1627  17.452     64.040   77.207     88.054   -49.6466   93.308   14.168  7.0009  11.905  6.0472  2.262717       9.251031 
1 1 1 -30 8   14 o 15.878  7.7450  158.411    97.209   158.411    97.209   0.0000     0.0000   15.878  7.7450  ?       ?       0.000000       7.744976 
1 1 1 -30 8   15 o 12.748  6.3876  14.710     84.483   57.944     94.713   -153.6237  186.889  13.620  6.8154  ?       ?       0.000000       6.815383 
1 1 1 -30 8   16 o 14.087  6.9402  75.617     84.292   102.601    93.463   -41.9921   195.123  14.538  7.1894  ?       ?       0.000000       7.189416 
1 1 1 -30 8   17 o 17.530  7.8579  141.976    69.126   212.807    100.467  78.300     95.258   17.002  8.1919  13.932  6.9504  3.070374       10.74311 
1 1 1 -30 8   18 o ?       ?       -174.9870  56.674   -20.6773   90.442   -274.7579  72.723   12.128  6.1386  ?       ?       0.000000       6.138647 
1 1 1 -30 8   19 o 11.729  5.8568  -11.5133   68.306   118.436    105.937  -103.9815  89.363   14.389  7.2011  ?       ?       0.000000       7.201141 
1 1 1 -30 8   20 o 10.844  5.4659  -48.9202   66.965   -8.1871    103.116  -78.6284   88.062   12.421  6.3139  ?       ?       0.000000       6.313878 
1 1 1 -30 8   21 o 14.030  6.8006  72.783     71.793   -22.9679   103.001  163.258    100.123  ?       ?       15.395  7.5806  0.000000       7.580561 
1 1 1 -30 8   22 o 12.181  6.1922  -17.1467   99.185   0.0000     0.0000   -17.1467   99.185   ?       ?       12.181  6.1922  0.000000       6.192193 
1 1 1 -30 8   23 o 15.909  7.8540  214.857    109.888  273.358    238.632  199.112    123.795  ?       ?       14.966  7.5295  0.000000       7.529518 
1 1 1 -30 8   24 o 21.449  9.0054  247.190    79.243   305.737    113.334  191.194    110.839  17.783  8.6005  15.326  7.6218  2.456614       11.49179 
1 1 1 -30 8   25 o 12.687  6.2685  31.016     70.500   -18.2773   101.599  76.792     97.907   ?       ?       13.549  6.8008  0.000000       6.800754 
1 1 1 -30 8   26 o 11.350  5.7120  -27.7246   71.555   22.285     105.849  -69.8119   97.104   12.698  6.4494  ?       ?       0.000000       6.449364 
1 1 1 -30 8   27 f 13.207  6.5504  51.478     79.734   67.458     111.614  34.824     113.945  13.301  6.7416  ?       ?       0.000000       6.741577 
1 1 1 -30 8   28 o 12.739  6.3363  31.008     76.719   -41.3359   112.914  93.045     104.561  ?       ?       13.768  6.9257  0.000000       6.925740 
1 1 1 -30 8   29 o 12.931  6.4432  37.410     80.827   120.686    116.364  -40.2253   112.355  14.043  7.0939  ?       ?       0.000000       7.093945 
1 1 1 -30 8   30 o ?       ?       -97.7927   69.907   -148.5498  100.829  -50.8086   97.009   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   31 o 12.252  6.1302  9.3816     76.552   -32.5389   113.651  44.196     103.571  ?       ?       13.021  6.5885  0.000000       6.588483 
1 1 1 -30 8   32 o 13.606  6.8916  97.949     115.267  104.374    127.501  69.210     269.672  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   33 o ?       ?       -109.2181  256.775  0.0000     0.0000   -109.2181  256.775  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   34 o 14.684  7.2042  135.171    87.810   54.129     127.939  207.349    120.739  ?       ?       14.640  7.3746  0.000000       7.374629 
1 1 1 -30 8   35 f ?       ?       20.750     105.095  1.8102     114.398  123.196    266.057  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 8   36 o ?       ?       -111.4449  107.500  -111.4449  107.500  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   1  o 10.768  5.3987  -37.5908   60.828   0.0000     0.0000   -37.5908   60.828   ?       ?       10.768  5.3987  0.000000       5.398748 
1 1 1 -30 9   2  o 15.657  7.4372  122.898    76.624   51.317     233.866  131.507    81.101   ?       ?       15.664  7.4987  0.000000       7.498677 
1 1 1 -30 9   3  o 13.552  6.8291  68.881     104.082  76.227     205.522  66.347     120.705  ?       ?       13.426  6.8253  0.000000       6.825336 
1 1 1 -30 9   4  o 12.919  6.2940  33.680     63.654   -27.4702   97.044   79.855     84.329   12.129  6.1617  14.067  6.9323  -1.937431      9.274875 
1 1 1 -30 9   5  o 18.712  8.0833  157.063    67.127   120.622    94.624   193.981    95.243   14.819  7.3108  16.803  8.0658  -1.984226      10.88598 
1 1 1 -30 9   6  o 16.233  7.4650  115.031    67.494   70.107     95.908   159.112    95.002   13.747  6.8756  15.833  7.7082  -2.086029      10.32910 
1 1 1 -30 9   7  o 12.265  6.0361  11.276     63.192   -67.7068   90.123   87.660     88.628   ?       ?       14.264  7.0440  0.000000       7.043973 
1 1 1 -30 9   8  o 11.459  5.6841  -13.7145   60.133   24.877     84.485   -53.3392   85.608   12.908  6.4557  11.564  5.8656  1.344519       8.722407 
1 1 1 -30 9   9  o 10.434  5.2319  -47.9431   57.198   3.6831     77.659   -109.1568  84.563   12.388  6.1945  ?       ?       0.000000       6.194520 
1 1 1 -30 9   10 o 11.613  5.7405  -7.6102    59.391   60.917     80.128   -91.1562   88.474   13.767  6.7796  ?       ?       0.000000       6.779551 
1 1 1 -30 9   11 o 12.693  6.2061  24.059     63.519   48.869     85.122   -7.1143    95.416   13.435  6.6810  12.484  6.3175  0.9509869      9.194903 
1 1 1 -30 9   12 o 13.563  6.5320  49.231     63.708   47.525     87.352   51.171     93.120   13.388  6.6752  13.445  6.7321  -0.5720615E-01 9.480468 
1 1 1 -30 9   13 o 18.846  8.6899  237.142    92.333   229.525    101.525  273.580    222.062  17.425  8.3546  ?       ?       0.000000       8.354563 
1 1 1 -30 9   14 o 14.712  7.2564  112.536    93.029   159.585    103.411  -87.1186   213.025  15.401  7.6062  ?       ?       0.000000       7.606173 
1 1 1 -30 9   15 o 13.376  6.6880  51.017     90.393   24.110     99.967   171.652    211.668  12.923  6.5325  ?       ?       0.000000       6.532466 
1 1 1 -30 9   16 o 15.602  7.3258  108.929    70.484   83.629     98.803   135.147    100.580  13.890  6.9519  14.882  7.3770  -0.9922132     10.13650 
1 1 1 -30 9   17 o 13.599  6.6262  56.828     70.615   143.379    101.753  -23.5846   98.078   14.964  7.4179  12.160  6.1791  2.803669       9.654378 
1 1 1 -30 9   18 o 12.317  6.0752  16.164     65.216   -45.4562   105.239  54.580     83.094   ?       ?       13.372  6.6417  0.000000       6.641659 
1 1 1 -30 9   19 o 15.156  7.1524  99.580     68.702   102.780    105.083  97.190     90.795   13.988  7.0247  14.183  7.0266  -0.1947107     9.935737 
1 1 1 -30 9   20 o 12.025  5.9663  7.0565     66.390   60.190     102.386  -31.4930   87.210   13.275  6.6997  11.739  5.9510  1.536154       8.961077 
1 1 1 -30 9   21 o 12.812  6.4740  32.042     97.447   -131.7556  297.961  51.660     103.118  ?       ?       13.110  6.6277  0.000000       6.627659 
1 1 1 -30 9   22 o 13.908  6.9968  107.377    106.844  129.198    313.644  104.513    113.641  ?       ?       13.755  6.9539  0.000000       6.953914 
1 1 1 -30 9   23 o 31.703  10.245  430.157    89.818   742.765    132.459  164.085    122.203  30.752  12.101  14.390  7.2690  16.36222       14.11598 
1 1 1 -30 9   24 f 14.183  6.8585  82.779     72.003   -7.6822    102.436  171.124    101.230  ?       ?       15.278  7.5417  0.000000       7.541660 
1 1 1 -30 9   25 o 13.042  6.4080  45.589     70.283   -32.0772   100.228  120.726    98.583   ?       ?       14.299  7.1232  0.000000       7.123220 
1 1 1 -30 9   26 o 16.396  7.7563  160.932    81.697   142.892    109.488  183.594    122.712  14.404  7.2247  14.646  7.3845  -0.2420778     10.33089 
1 1 1 -30 9   27 o 12.748  6.3306  33.808     75.380   2.0139     100.680  74.365     113.712  12.368  6.2823  13.333  6.7628  -0.9651833     9.230478 
1 1 1 -30 9   28 o 10.830  5.4740  -52.4303   70.077   5.2371     102.604  -102.8493  95.939   12.459  6.3298  ?       ?       0.000000       6.329761 
1 1 1 -30 9   29 o 11.920  5.9807  -4.8363    75.307   12.941     112.421  -19.3066   101.426  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   30 o 16.298  7.7241  157.421    81.744   -3.9303    121.229  291.946    110.694  ?       ?       17.616  8.5150  0.000000       8.514957 
1 1 1 -30 9   31 f ?       ?       -44.0849   110.058  -111.3494  121.457  264.638    260.204  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   32 o ?       ?       113.186    274.276  0.0000     0.0000   113.186    274.276  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   33 o 13.948  7.0592  157.751    119.319  209.954    132.035  -74.7809   278.666  14.265  7.2409  ?       ?       0.000000       7.240865 
1 1 1 -30 9   34 o ?       ?       -18.2154   104.788  -21.9128   113.674  2.6962     270.341  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   35 o ?       ?       54.229     117.871  54.229     117.871  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 9   36 o ?       ?       -0.0016    354.296  -0.0016    354.296  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  1  o 9.9186  5.0185  -74.2688   60.059   139.643    208.908  -93.5419   62.707   ?       ?       9.7403  4.9486  0.000000       4.948649 
1 1 1 -30 10  2  o ?       ?       -105.2810  54.472   -89.0222   226.199  -106.2819  56.124   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  3  f 14.298  6.8163  74.894     65.552   78.351     95.226   71.781     90.372   13.714  6.8582  13.646  6.8017  0.6830502E-01  9.659075 
1 1 1 -30 10  4  o 17.400  7.8102  143.204    68.527   140.967    97.480   145.389    96.353   15.022  7.4125  15.178  7.4663  -0.1558857     10.52092 
1 1 1 -30 10  5  o 17.652  7.9342  153.066    70.985   139.890    102.845  165.053    98.098   14.826  7.3680  15.616  7.6519  -0.7900667     10.62258 
1 1 1 -30 10  6  o 20.232  8.5726  199.438    72.877   197.912    107.296  200.746    99.296   15.908  7.8360  16.533  8.0097  -0.6246901     11.20529 
1 1 1 -30 10  7  o 15.063  7.1461  96.421     70.313   28.937     101.951  157.636    97.100   12.954  6.5525  15.542  7.6151  -2.588615      10.04613 
1 1 1 -30 10  8  o 11.919  5.9132  -0.3004    65.161   -93.7362   96.036   79.412     88.704   ?       ?       13.957  6.9202  0.000000       6.920208 
1 1 1 -30 10  9  o 10.106  5.1090  -72.4670   61.263   -72.6752   88.593   -72.2763   84.808   ?       ?       11.195  5.6941  0.000000       5.694090 
1 1 1 -30 10  10 o 11.900  5.9194  -3.1136    66.995   93.823     87.677   -139.1234  103.855  14.331  7.0639  ?       ?       0.000000       7.063934 
1 1 1 -30 10  11 o 12.914  6.3173  33.615     66.036   -13.1999   91.402   84.736     95.513   12.225  6.1859  13.956  6.9620  -1.731526      9.313161 
1 1 1 -30 10  12 o 13.826  6.9064  78.872     95.346   78.872     95.346   0.0000     0.0000   13.826  6.9064  ?       ?       0.000000       6.906379 
1 1 1 -30 10  13 o 13.550  6.8230  69.151     102.871  31.411     117.360  194.313    213.725  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  14 o 17.004  8.3410  280.381    117.568  379.336    135.693  -17.5891   235.464  17.526  8.6660  ?       ?       0.000000       8.665975 
1 1 1 -30 10  15 o 15.244  7.2927  112.915    76.427   113.611    118.810  112.424    99.822   13.962  7.0638  14.312  7.1362  -0.3502302     10.04103 
1 1 1 -30 10  16 o 14.658  7.0344  92.188     72.352   47.125     113.915  122.659    93.673   13.102  6.6578  14.679  7.2476  -1.577209      9.841479 
1 1 1 -30 10  17 o 17.452  7.9856  166.263    75.941   125.330    107.542  206.975    107.252  14.269  7.1577  15.900  7.8322  -1.630279      10.61019 
1 1 1 -30 10  18 o 16.948  7.7307  143.456    70.456   121.840    106.728  160.152    93.799   14.177  7.1141  15.509  7.5745  -1.331901      10.39146 
1 1 1 -30 10  19 o 10.960  5.4984  -31.0430   63.562   -26.1957   99.887   -34.3414   82.396   ?       ?       11.524  5.8358  0.000000       5.835776 
1 1 1 -30 10  20 o 14.797  7.3561  152.937    102.837  182.230    304.388  149.163    109.261  ?       ?       14.497  7.2638  0.000000       7.263837 
1 1 1 -30 10  21 o 13.252  6.6624  64.375     96.046   -5.0211    303.952  72.073     101.233  ?       ?       13.336  6.7221  0.000000       6.722111 
1 1 1 -30 10  22 o 14.866  7.1044  103.751    72.111   96.016     109.120  109.747    96.080   13.591  6.8659  14.081  7.0177  -0.4905376     9.817754 
1 1 1 -30 10  23 o 12.554  6.1904  30.535     67.561   -80.2432   103.288  113.373    89.318   ?       ?       14.357  7.0867  0.000000       7.086668 
1 1 1 -30 10  24 o 11.355  5.6976  -18.7860   68.443   77.572     103.058  -94.8217   91.548   13.370  6.7442  ?       ?       0.000000       6.744215 
1 1 1 -30 10  25 o 11.992  6.0081  3.6470     74.713   26.036     101.481  -22.8512   110.402  12.627  6.4029  ?       ?       0.000000       6.402909 
1 1 1 -30 10  26 o 13.112  6.4924  51.126     77.132   -4.5511    103.720  120.014    115.371  ?       ?       13.854  7.0044  0.000000       7.004435 
1 1 1 -30 10  27 o 13.400  6.5785  59.265     73.589   -63.5185   106.053  173.277    102.195  ?       ?       15.265  7.5431  0.000000       7.543056 
1 1 1 -30 10  28 o 13.025  6.4793  46.457     80.351   17.208     106.017  85.936     123.168  12.585  6.3979  ?       ?       0.000000       6.397863 
1 1 1 -30 10  29 o 12.939  6.3912  43.202     73.124   83.195     105.135  5.7243     101.774  13.475  6.7993  12.380  6.2911  1.095590       9.263272 
1 1 1 -30 10  30 o 12.845  6.4806  43.960     95.392   45.907     107.498  36.747     206.912  12.860  6.5284  ?       ?       0.000000       6.528371 
1 1 1 -30 10  31 f ?       ?       -85.2339   107.257  -66.9719   117.025  -181.1349  268.173  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  32 o ?       ?       -5.8221    114.457  -4.0199    123.976  -16.2250   297.856  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  33 o 10.865  5.5106  -39.9431   75.470   -78.5365   112.252  -8.1067    101.953  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 10  34 o 13.833  6.9957  188.595    115.740  188.595    115.740  0.0000     0.0000   13.833  6.9957  ?       ?       0.000000       6.995719 
1 1 1 -30 10  35 o ?       ?       123.107    328.184  123.107    328.184  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  1  o 13.175  6.3018  46.085     57.001   89.662     94.067   20.800     71.656   13.791  6.8842  12.387  6.1550  1.403077       9.234529 
1 1 1 -30 11  2  o 16.545  7.3017  108.629    57.365   -79.6977   97.002   209.913    71.137   ?       ?       20.957  8.6434  0.000000       8.643391 
1 1 1 -30 11  3  o 17.007  7.7169  141.271    69.033   163.818    100.785  121.343    94.749   15.211  7.5115  14.503  7.1838  0.7078352      10.39372 
1 1 1 -30 11  4  o 11.447  5.7025  -11.4189   63.177   28.438     90.152   -49.8824   88.562   12.740  6.4117  11.494  5.8437  1.246294       8.675159 
1 1 1 -30 11  5  o 11.221  5.6095  -21.6270   63.476   -55.1483   90.654   10.617     88.910   ?       ?       12.442  6.2747  0.000000       6.274718 
1 1 1 -30 11  6  o 14.888  7.0582  93.492     68.366   20.348     100.939  155.481    92.925   12.703  6.4358  15.526  7.5730  -2.822933      9.938308 
1 1 1 -30 11  7  o 12.503  6.1507  23.853     65.406   32.653     94.146   15.644     90.935   12.875  6.4886  12.572  6.3410  0.3026991      9.072481 
1 1 1 -30 11  8  o 15.613  7.4422  127.035    78.081   207.008    108.723  41.857     112.206  15.874  7.8321  13.039  6.6241  2.834703       10.25773 
1 1 1 -30 11  9  o 13.864  6.6975  66.031     68.252   -4.1343    97.613   133.148    95.468   12.348  6.2634  14.862  7.3341  -2.514193      9.644655 
1 1 1 -30 11  10 o 14.854  7.0873  95.881     71.183   141.085    96.740   42.513     105.115  14.990  7.3945  13.046  6.6048  1.944458       9.914780 
1 1 1 -30 11  11 o 13.237  6.6570  54.353     96.262   99.579     106.275  -152.2862  227.164  13.894  6.9884  ?       ?       0.000000       6.988402 
1 1 1 -30 11  12 o 15.662  7.7667  207.824    111.909  127.476    128.041  467.774    230.308  13.928  7.0760  ?       ?       0.000000       7.075972 
1 1 1 -30 11  13 o 13.562  6.8413  81.119     106.046  76.916     120.880  95.161     220.943  13.386  6.8075  ?       ?       0.000000       6.807457 
1 1 1 -30 11  14 o 15.702  7.4202  125.018    74.422   65.254     108.692  177.766    102.113  13.281  6.7234  15.476  7.6271  -2.194431      10.16743 
1 1 1 -30 11  15 o 13.913  6.8633  83.662     83.366   102.932    127.518  69.278     110.169  ?       ?       13.297  6.7354  0.000000       6.735430 
1 1 1 -30 11  16 o 13.036  6.4441  46.186     74.811   21.021     128.082  59.216     92.167   ?       ?       13.220  6.6306  0.000000       6.630570 
1 1 1 -30 11  17 o 15.463  7.4509  140.042    83.172   293.955    128.965  30.441     108.828  16.017  8.0054  12.726  6.4706  3.291432       10.29341 
1 1 1 -30 11  18 o 15.004  7.2629  123.336    81.240   238.171    134.926  58.028     101.752  14.880  7.5283  13.081  6.6107  1.799023       10.01878 
1 1 1 -30 11  19 o 12.305  6.2253  9.8678     92.290   164.555    289.886  -7.5793    97.356   ?       ?       12.109  6.1536  0.000000       6.153557 
1 1 1 -30 11  20 o ?       ?       -198.0344  75.491   -149.8840  284.103  -201.6924  78.306   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  21 o 15.557  7.3559  126.054    73.317   165.748    110.866  95.200     97.743   14.564  7.3001  13.673  6.8537  0.8908472      10.01319 
1 1 1 -30 11  22 o 10.692  5.3888  -42.2912   64.965   -13.4288   100.023  -63.3506   85.439   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  23 o 12.682  6.2579  37.102     69.493   83.091     106.315  2.7955     91.825   13.343  6.7441  12.151  6.1543  1.191685       9.130031 
1 1 1 -30 11  24 o 13.147  6.4530  53.252     70.702   -92.6358   107.433  164.706    93.902   ?       ?       15.351  7.5144  0.000000       7.514423 
1 1 1 -30 11  25 o 14.952  7.1526  110.206    73.486   152.912    104.566  68.532     103.294  14.588  7.2784  13.182  6.6615  1.406023       9.866670 
1 1 1 -30 11  26 o 15.478  7.3617  126.598    75.536   281.611    106.634  -29.5231   107.014  17.549  8.4516  ?       ?       0.000000       8.451588 
1 1 1 -30 11  27 o 15.597  7.4155  131.381    76.509   11.740     110.887  240.090    105.700  ?       ?       16.522  8.0627  0.000000       8.062676 
1 1 1 -30 11  28 o 13.754  6.6878  72.251     70.903   14.827     106.494  117.974    95.026   ?       ?       14.225  7.0714  0.000000       7.071383 
1 1 1 -30 11  29 o 12.724  6.4284  40.538     95.699   -88.6633   105.465  642.802    227.703  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  30 o ?       ?       -46.3997   96.554   -40.3042   107.146  -72.7374   222.720  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  31 o ?       ?       -131.2392  195.475  0.0000     0.0000   -131.2392  195.475  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  32 o 10.486  5.3102  -46.1365   68.155   -26.4425   95.896   -66.2383   96.884   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  33 o ?       ?       -63.0273   113.099  -63.0273   113.099  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 11  34 o ?       ?       139.122    326.996  139.122    326.996  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  1  o 13.882  6.5070  62.293     55.197   -64.2107   94.446   127.916    68.023   ?       ?       16.211  7.4692  0.000000       7.469215 
1 1 1 -30 12  2  o 13.799  6.6004  65.940     62.531   117.141    105.293  38.042     77.721   13.970  7.0176  12.765  6.3535  1.205572       9.466455 
1 1 1 -30 12  3  o 11.556  5.7600  -5.5411    64.798   -97.7920   94.293   77.004     89.195   ?       ?       13.546  6.7528  0.000000       6.752823 
1 1 1 -30 12  4  o 10.852  5.4398  -30.6090   61.603   -56.7913   91.256   -8.6890    83.499   ?       ?       11.927  6.0232  0.000000       6.023166 
1 1 1 -30 12  5  o 14.407  6.8995  86.037     68.787   62.164     99.559   107.842    95.150   13.204  6.6567  14.110  7.0240  -0.9056816     9.677188 
1 1 1 -30 12  6  o 11.602  5.7873  -6.4054    65.961   -23.2163   96.737   8.2020     90.174   11.959  6.0826  12.325  6.2281  -0.3663940     8.705579 
1 1 1 -30 12  7  o 10.640  5.3633  -47.5653   64.474   -31.8869   95.405   -60.7445   87.472   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  8  o 13.404  6.5479  57.428     70.231   53.822     103.909  60.460     95.291   13.080  6.6162  13.227  6.6483  -0.1471348     9.379471 
1 1 1 -30 12  9  o 13.931  6.7537  74.216     70.870   -145.9104  105.270  256.682    95.843   ?       ?       18.316  8.5818  0.000000       8.581794 
1 1 1 -30 12  10 o 12.857  6.4885  39.089     95.982   96.705     105.615  -234.2215  230.031  13.709  6.9046  ?       ?       0.000000       6.904629 
1 1 1 -30 12  11 o 13.228  6.6595  62.708     97.710   -9.2578    109.025  356.442    220.262  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  12 o 12.671  6.4305  27.111     103.777  -12.0881   117.763  163.361    219.551  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  13 o 13.334  6.5439  58.111     72.631   30.771     106.456  81.919     99.344   12.708  6.4554  13.499  6.7854  -0.7914801     9.365526 
1 1 1 -30 12  14 o 11.233  5.6757  -34.8338   74.825   80.901     123.808  -101.4318  93.918   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  15 o 14.161  6.8952  90.572     76.085   82.213     124.019  95.617     96.347   ?       ?       13.733  6.8722  0.000000       6.872156 
1 1 1 -30 12  16 o 12.928  6.4204  47.292     77.606   185.237    127.529  -33.8343   97.799   14.335  7.2597  ?       ?       0.000000       7.259671 
1 1 1 -30 12  17 o ?       ?       -117.9724  84.145   -261.0941  234.841  -96.8915   90.129   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  18 o 13.812  6.9340  110.860    102.005  193.894    245.502  93.534     112.144  ?       ?       13.382  6.7799  0.000000       6.779872 
1 1 1 -30 12  19 o 13.918  6.9743  116.726    100.868  -72.3152   255.173  151.736    109.812  ?       ?       14.272  7.1690  0.000000       7.169040 
1 1 1 -30 12  20 o 25.780  10.132  390.897    92.754   503.464    151.088  322.811    117.503  17.372  8.6800  17.147  8.3962  0.2248497      12.07634 
1 1 1 -30 12  21 o 11.534  5.7920  -9.3586    71.428   -117.4332  130.672  36.693     85.299   ?       ?       12.610  6.3320  0.000000       6.331960 
1 1 1 -30 12  22 o 13.246  6.5290  61.996     74.911   128.393    119.310  18.788     96.247   13.685  6.9399  12.355  6.2621  1.330007       9.347500 
1 1 1 -30 12  23 o 14.616  7.0317  103.981    73.343   133.034    109.791  80.568     98.560   13.964  7.0335  13.323  6.7048  0.6405363      9.717229 
1 1 1 -30 12  24 o 10.666  5.3935  -50.6656   68.687   -141.9866  100.578  29.152     94.030   ?       ?       12.529  6.3336  0.000000       6.333642 
1 1 1 -30 12  25 o 15.421  7.3673  131.814    77.429   326.078    115.392  -27.2920   104.429  17.585  8.5463  ?       ?       0.000000       8.546298 
1 1 1 -30 12  26 o 16.568  7.7987  169.512    80.738   172.031    110.540  166.633    118.206  14.658  7.3388  14.316  7.2218  0.3420591      10.29629 
1 1 1 -30 12  27 o 14.927  7.1982  120.006    77.970   72.072     107.178  173.891    113.636  13.129  6.6495  14.530  7.2976  -1.400466      9.872716 
1 1 1 -30 12  28 o 10.780  5.4420  -40.7306   67.876   -131.0287  93.157   61.456     99.100   ?       ?       12.960  6.5469  0.000000       6.546915 
1 1 1 -30 12  29 o ?       ?       -112.5090  85.236   -137.9650  94.388   -0.0006    198.433  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  30 o ?       ?       -179.7234  193.039  0.0000     0.0000   -179.7234  193.039  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  31 o 10.708  5.4237  -37.3343   71.368   25.641     102.131  -97.4304   99.770   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  32 o ?       ?       -1.4717    96.143   -1.4717    96.143   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 12  33 o ?       ?       -73.6330   99.084   -73.6330   99.084   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  1  o 9.9393  5.0005  -50.9219   54.613   -89.5542   113.453  -39.2700   62.307   ?       ?       10.609  5.3378  0.000000       5.337842 
1 1 1 -30 13  2  o 10.053  5.0443  -43.6646   53.622   -102.5726  102.234  -21.3089   62.980   ?       ?       11.041  5.5297  0.000000       5.529745 
1 1 1 -30 13  3  o 12.847  6.3078  43.686     67.720   91.053     103.163  7.8201     89.768   13.469  6.7888  12.180  6.1599  1.289238       9.166903 
1 1 1 -30 13  4  o 14.268  6.9431  96.937     76.807   281.400    123.961  -18.0135   97.855   15.887  7.9262  ?       ?       0.000000       7.926246 
1 1 1 -30 13  5  o 12.117  6.0279  15.820     69.560   73.682     105.614  -28.5093   92.442   13.200  6.6762  11.707  5.9538  1.492624       8.945345 
1 1 1 -30 13  6  o 11.279  5.6676  -20.8595   68.973   -14.0447   106.301  -25.8145   90.643   ?       ?       11.717  5.9526  0.000000       5.952613 
1 1 1 -30 13  7  o 11.234  5.6507  -24.1321   69.572   57.866     102.957  -93.0384   94.381   13.001  6.5773  ?       ?       0.000000       6.577253 
1 1 1 -30 13  8  o 13.149  6.6399  67.096     101.398  42.841     109.107  220.769    274.633  12.785  6.4985  ?       ?       0.000000       6.498497 
1 1 1 -30 13  9  o 13.753  6.9379  113.492    109.169  60.946     119.727  372.619    265.876  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  10 o 12.632  6.4071  32.555     102.084  16.952     111.241  115.789    256.932  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  11 f 13.998  7.0607  136.842    112.887  174.043    126.422  -9.5290    250.767  14.181  7.1865  ?       ?       0.000000       7.186496 
1 1 1 -30 13  12 o 14.941  7.1621  114.138    74.528   68.276     109.675  153.484    101.585  13.064  6.6280  14.622  7.2757  -1.558092      9.842048 
1 1 1 -30 13  13 o 13.509  6.7057  78.362     84.264   185.872    132.843  5.9842     108.998  14.120  7.1765  ?       ?       0.000000       7.176528 
1 1 1 -30 13  14 o 13.131  6.5377  61.400     82.500   151.064    132.375  4.4558     105.493  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  15 o 10.883  5.5023  -42.2342   71.173   -134.1020  125.203  1.6265     86.511   ?       ?       11.990  6.0621  0.000000       6.062138 
1 1 1 -30 13  16 o 12.778  6.4512  49.138     95.437   14.471     232.051  56.196     104.703  ?       ?       12.850  6.5148  0.000000       6.514813 
1 1 1 -30 13  17 o 12.522  6.3326  33.764     94.765   -301.2908  232.140  100.764    103.808  ?       ?       13.498  6.8038  0.000000       6.803828 
1 1 1 -30 13  18 o 12.978  6.5596  65.924     100.489  222.039    244.793  34.285     110.203  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  19 f 12.233  6.1241  22.937     76.914   7.4239     125.998  32.152     97.105   ?       ?       12.479  6.3211  0.000000       6.321132 
1 1 1 -30 13  20 o 11.320  5.7259  -26.3273   77.839   -154.0392  156.073  15.958     89.806   ?       ?       12.199  6.1685  0.000000       6.168538 
1 1 1 -30 13  21 o 10.922  5.5230  -39.6419   72.039   -50.1440   131.469  -35.1356   86.119   ?       ?       11.380  5.7836  0.000000       5.783588 
1 1 1 -30 13  22 o ?       ?       -105.4685  63.053   -173.7210  128.180  -83.6809   72.421   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  23 o 15.512  7.5150  162.341    87.409   57.828     140.463  228.392    111.664  ?       ?       15.478  7.6895  0.000000       7.689520 
1 1 1 -30 13  24 o 15.807  7.5583  156.039    81.859   194.355    130.924  131.446    104.889  14.219  7.2169  14.025  7.0398  0.1938820      10.08173 
1 1 1 -30 13  25 o 12.433  6.1889  30.481     73.799   -53.6017   97.665   142.389    112.672  ?       ?       13.990  7.0564  0.000000       7.056377 
1 1 1 -30 13  26 o 11.601  5.8187  -3.7619    70.996   -60.5918   94.244   70.805     107.954  ?       ?       13.010  6.5981  0.000000       6.598098 
1 1 1 -30 13  27 o 11.117  5.6321  -35.8640   77.241   92.416     99.977   -225.8116  121.657  13.346  6.7210  ?       ?       0.000000       6.721039 
1 1 1 -30 13  28 o 13.285  6.7192  103.183    107.045  99.152     119.410  119.677    241.547  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  29 o ?       ?       377.928    269.694  0.0000     0.0000   377.928    269.694  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  30 o 10.332  5.2377  -48.7036   67.574   -40.7269   100.539  -55.2761   91.262   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  31 o 12.261  6.1996  59.516     90.528   21.112     99.210   250.579    221.287  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 13  32 o ?       ?       91.677     108.648  91.677     108.648  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  1  o 9.1046  4.6227  -87.8844   54.067   63.617     109.280  -136.9906  62.216   12.886  6.5456  ?       ?       0.000000       6.545615 
1 1 1 -30 14  2  o 14.351  6.8059  86.005     63.669   117.645    107.176  68.749     79.149   13.677  6.8968  13.277  6.5747  0.4001503      9.528505 
1 1 1 -30 14  3  o 12.037  5.9999  16.467     70.363   27.341     104.742  7.5237     94.988   12.444  6.3294  12.128  6.1546  0.3162117      8.828422 
1 1 1 -30 14  4  o 10.563  5.3290  -43.8234   64.470   -90.6425   95.750   -4.9943    87.198   ?       ?       11.860  6.0059  0.000000       6.005897 
1 1 1 -30 14  5  o 11.955  5.9532  13.766     68.564   29.230     101.537  0.8032     92.959   12.469  6.3311  12.021  6.0990  0.4479208      8.791006 
1 1 1 -30 14  6  o 11.430  5.7463  -12.5355   71.404   76.046     108.109  -81.0788   95.099   13.081  6.6308  ?       ?       0.000000       6.630758 
1 1 1 -30 14  7  o ?       ?       -37.8337   104.732  -37.8337   104.732  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  8  o 13.377  6.7943  107.362    117.610  134.566    131.104  -4.7529    266.153  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  9  o 12.954  6.5816  68.777     110.942  87.190     122.003  -19.1857   266.661  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  10 o 11.939  5.9961  8.4752     76.669   -21.1607   118.222  29.987     100.721  ?       ?       12.462  6.3256  0.000000       6.325568 
1 1 1 -30 14  11 o 10.075  5.1121  -72.1160   65.355   -36.7158   93.115   -106.4874  91.752   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  12 o 11.564  5.8363  -11.3630   77.705   -27.9604   115.933  2.1749     104.704  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  13 o 11.266  5.6946  -25.3755   75.897   -59.8520   123.053  -4.2065    96.423   ?       ?       11.945  6.0752  0.000000       6.075163 
1 1 1 -30 14  14 o 10.809  5.4976  -59.5039   79.038   -59.0120   125.016  -59.8315   102.013  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  15 o 12.251  6.2260  19.131     99.720   -137.9855  230.305  55.384     110.628  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  16 o ?       ?       -28.1894   92.357   -14.7343   230.445  -30.7641   100.807  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  17 o ?       ?       -7.3818    96.468   378.780    236.594  -84.3823   105.649  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  18 o 15.990  7.5739  158.745    78.382   94.478     131.741  193.961    97.521   ?       ?       15.442  7.5793  0.000000       7.579263 
1 1 1 -30 14  19 o 13.390  6.6208  77.669     79.173   11.542     129.420  117.216    100.085  ?       ?       13.710  6.8808  0.000000       6.880780 
1 1 1 -30 14  20 o 13.011  6.4759  62.426     80.700   104.144    130.980  36.899     102.457  ?       ?       12.473  6.3360  0.000000       6.336016 
1 1 1 -30 14  21 o 11.392  5.7511  -16.3340   75.791   -105.6655  128.443  31.386     93.877   ?       ?       12.391  6.2699  0.000000       6.269861 
1 1 1 -30 14  22 o 12.984  6.4935  62.105     85.443   152.650    138.042  5.8705     108.787  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  23 o 17.659  8.3663  258.159    95.743   348.776    146.847  191.154    126.273  15.330  7.7663  14.185  7.1876  1.145494       10.58193 
1 1 1 -30 14  24 o 12.690  6.3410  45.977     80.680   16.719     117.939  71.713     110.610  ?       ?       12.936  6.5720  0.000000       6.572039 
1 1 1 -30 14  25 o ?       ?       -117.4263  76.894   -82.1065   118.364  -143.2166  101.144  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  26 o 13.194  6.5522  73.322     80.790   137.628    114.554  9.6835     113.958  13.621  6.8960  ?       ?       0.000000       6.895971 
1 1 1 -30 14  27 o 13.368  6.7606  118.838    108.170  107.088    120.653  166.970    244.196  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  28 o ?       ?       1.4534     101.593  -15.5323   112.385  77.373     237.598  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  29 o 11.185  5.6307  -2.3271    69.796   -94.3682   94.802   106.610    103.137  ?       ?       12.929  6.5453  0.000000       6.545252 
1 1 1 -30 14  30 o 11.916  5.9849  40.672     76.429   5.9380     104.090  81.305     112.582  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 14  31 o ?       ?       73.781     116.715  73.781     116.715  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  1  o 13.770  6.6139  75.806     64.250   172.158    122.188  38.983     75.536   13.939  7.0637  12.483  6.2215  1.455252       9.412921 
1 1 1 -30 15  2  o 10.918  5.4317  -11.0253   56.505   57.785     99.490   -43.7896   68.652   12.744  6.4493  10.661  5.3910  2.083536       8.405695 
1 1 1 -30 15  3  o 12.894  6.3528  53.735     70.681   63.215     107.672  46.557     93.695   12.779  6.4918  12.598  6.3641  0.1812229      9.090928 
1 1 1 -30 15  4  o 13.527  6.6184  76.826     72.606   33.284     109.190  111.339    97.211   ?       ?       13.664  6.8473  0.000000       6.847276 
1 1 1 -30 15  5  o 12.120  6.0320  23.985     69.974   0.4091     102.095  44.870     96.093   ?       ?       12.570  6.3587  0.000000       6.358714 
1 1 1 -30 15  6  o ?       ?       15.546     107.592  40.602     117.158  -119.3600  271.855  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  7  o ?       ?       -296.0341  95.669   -292.1476  103.034  -320.3419  257.673  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  8  o ?       ?       15.979     109.960  30.208     119.429  -63.2296   281.775  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  9  o 10.400  5.2754  -60.1346   69.302   -100.0467  99.289   -22.2169   96.776   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  10 o 12.928  6.4247  59.417     78.229   5.8176     124.846  94.066     100.379  ?       ?       13.275  6.6915  0.000000       6.691535 
1 1 1 -30 15  11 o 13.494  6.6779  85.669     81.174   190.652    126.397  11.977     105.898  14.025  7.1157  ?       ?       0.000000       7.115677 
1 1 1 -30 15  12 o 11.619  5.8625  -3.3729    78.177   36.367     122.772  -30.4759   101.390  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  13 o 12.408  6.2152  37.688     79.735   42.000     125.758  34.790     103.109  ?       ?       12.372  6.2915  0.000000       6.291540 
1 1 1 -30 15  14 o 13.935  7.0402  163.005    114.791  48.561     237.593  197.854    131.108  ?       ?       13.935  7.0871  0.000000       7.087059 
1 1 1 -30 15  15 o 14.436  7.2556  193.518    113.444  445.887    244.904  124.574    128.005  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  16 o ?       ?       -113.6967  85.506   -259.9377  226.173  -89.3092   92.361   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  17 o 14.428  7.0604  125.848    82.728   115.062    132.972  132.659    105.668  ?       ?       13.709  6.9047  0.000000       6.904655 
1 1 1 -30 15  18 o 16.383  7.8246  199.810    87.190   304.047    137.343  129.441    112.846  14.957  7.5702  13.500  6.8356  1.457756       10.19966 
1 1 1 -30 15  19 o 11.767  5.9272  6.3003     77.953   -18.1801   128.488  20.560     98.063   ?       ?       12.157  6.1778  0.000000       6.177766 
1 1 1 -30 15  20 o 11.964  6.0185  15.326     78.997   25.082     129.453  9.5375     99.716   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  21 o 11.909  5.9946  11.220     79.077   -33.9477   129.998  37.750     99.630   ?       ?       12.434  6.3094  0.000000       6.309434 
1 1 1 -30 15  22 o 14.282  6.9776  112.768    79.791   103.636    135.313  117.636    98.796   ?       ?       13.711  6.8751  0.000000       6.875079 
1 1 1 -30 15  23 o 11.280  5.7223  -28.0396   81.663   15.001     127.163  -58.2484   106.534  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  24 o 12.720  6.3717  55.219     83.809   81.923     128.123  35.247     110.802  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  25 o ?       ?       -259.4574  100.085  -303.7911  113.137  -99.8879   214.641  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  26 o ?       ?       -111.9191  122.822  -121.5212  144.182  -86.5204   234.494  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  27 o ?       ?       75.669     126.154  184.751    145.240  -259.4690  254.579  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  28 o 11.505  5.7729  17.346     70.262   17.650     96.181   16.999     102.888  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  29 o 11.444  5.7688  21.499     74.640   -8.6656    104.769  52.589     106.363  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 15  30 o ?       ?       -102.6213  97.767   -102.6213  97.767   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  1  o 10.765  5.3645  -13.6062   56.099   -33.8966   112.380  -6.8719    64.743   ?       ?       11.211  5.6134  0.000000       5.613362 
1 1 1 -30 16  2  o 13.662  6.5674  75.676     63.658   -48.2525   114.423  131.229    76.609   ?       ?       14.925  7.1817  0.000000       7.181679 
1 1 1 -30 16  3  o 23.152  9.7069  365.635    91.860   520.816    137.974  242.083    123.113  18.311  8.9929  14.692  7.4062  3.619139       11.65004 
1 1 1 -30 16  4  o 12.739  6.4564  67.180     102.239  50.796     109.412  179.979    287.082  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  5  o 20.291  9.8547  721.034    152.746  909.818    170.727  -36.2527   341.940  20.913  10.215  ?       ?       0.000000       10.21476 
1 1 1 -30 16  6  o ?       ?       -110.3660  103.024  -106.4715  111.295  -133.6841  272.330  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  7  o 13.096  6.6580  105.515    115.005  122.658    126.936  26.965     271.716  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  8  o 14.065  6.8803  107.989    78.326   75.591     114.828  136.180    107.114  ?       ?       13.657  6.8875  0.000000       6.887534 
1 1 1 -30 16  9  o 12.222  6.1199  32.720     76.968   37.066     123.049  29.927     98.650   ?       ?       12.218  6.2076  0.000000       6.207594 
1 1 1 -30 16  10 o 11.961  6.0179  19.425     79.150   218.395    125.424  -112.2465  102.032  14.233  7.2069  ?       ?       0.000000       7.206893 
1 1 1 -30 16  11 o 11.327  5.7381  -17.4519   80.109   110.407    122.990  -111.6686  105.576  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  12 o 14.377  7.0699  135.204    86.139   108.541    124.539  159.658    119.270  ?       ?       13.638  6.9186  0.000000       6.918598 
1 1 1 -30 16  13 o 13.538  6.8552  141.992    113.445  430.306    233.895  53.301     129.726  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  14 o ?       ?       46.324     109.245  175.549    233.015  9.9185     123.680  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  15 o 13.482  6.7895  120.526    102.032  230.741    241.581  96.597     112.564  ?       ?       12.961  6.5892  0.000000       6.589154 
1 1 1 -30 16  16 o 15.170  7.4132  175.291    90.241   163.667    135.882  184.463    120.703  ?       ?       13.905  7.0437  0.000000       7.043733 
1 1 1 -30 16  17 o 17.120  8.0394  216.653    84.907   231.907    132.711  206.083    110.477  14.127  7.1796  14.633  7.3277  -0.5056782     10.25876 
1 1 1 -30 16  18 o 10.971  5.5729  -38.9817   79.211   -28.6960   127.656  -45.4215   101.009  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  19 o 11.503  5.8093  -5.1353    77.760   -29.6557   127.534  9.3741     98.104   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  20 o 13.780  6.8131  105.068    83.774   30.003     133.007  154.430    107.857  ?       ?       13.940  7.0151  0.000000       7.015116 
1 1 1 -30 16  21 o 12.502  6.2041  43.970     71.933   -0.7070    140.467  59.852     83.748   ?       ?       12.767  6.3915  0.000000       6.391468 
1 1 1 -30 16  22 f 11.189  5.6503  -17.1726   73.429   78.455     138.497  -54.5638   86.603   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  23 o 10.916  5.5231  -29.8548   72.788   63.575     137.332  -66.3544   85.837   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  24 o ?       ?       -55.3803   114.586  -56.2152   130.077  -52.4878   242.107  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  25 o ?       ?       74.551     131.918  46.160     154.721  150.143    252.464  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  26 o ?       ?       177.858    129.937  252.869    148.841  -62.4579   266.411  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  27 o 11.725  5.9391  32.254     85.733   110.306    128.686  -30.0375   114.961  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  28 o 12.790  6.4135  106.526    86.012   154.417    133.260  72.327     112.609  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 16  29 o ?       ?       89.616     103.514  115.834    113.067  -46.1627   257.309  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  1  o 10.495  5.2657  -25.4799   58.356   39.642     115.201  -47.9582   67.682   ?       ?       10.419  5.2776  0.000000       5.277611 
1 1 1 -30 17  2  o ?       ?       3.0416     109.834  10.726     118.113  -46.0738   298.615  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  3  o ?       ?       -77.7658   123.318  -121.7441  135.518  134.034    297.400  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  4  f ?       ?       48.887     123.344  34.022     134.509  127.445    309.209  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  5  o ?       ?       -97.2786   121.994  -115.4116  135.113  -17.2657   283.819  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  6  o 15.043  7.2700  149.921    80.608   155.426    122.961  145.772    106.745  ?       ?       13.664  6.8893  0.000000       6.889310 
1 1 1 -30 17  7  o 15.531  7.4648  169.066    82.176   232.819    118.433  109.878    114.115  14.553  7.3272  13.012  6.6171  1.541069       9.872872 
1 1 1 -30 17  8  o 15.443  7.3821  155.251    77.982   190.881    113.807  123.715    107.069  14.107  7.1124  13.314  6.7330  0.7920465      9.793863 
1 1 1 -30 17  9  o 12.725  6.3539  62.818     80.339   24.176     120.076  94.135     108.098  ?       ?       12.886  6.5419  0.000000       6.541850 
1 1 1 -30 17  10 o ?       ?       -68.9162   75.245   36.050     121.064  -134.9874  96.050   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  11 o ?       ?       -144.3709  93.995   -7.2268    206.203  -180.3426  105.605  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  12 o 12.107  6.1562  31.155     98.571   -43.9623   210.688  52.205     111.531  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  13 o ?       ?       31.409     107.153  91.614     227.994  14.340     121.395  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  14 o 12.910  6.4622  76.123     85.530   44.955     129.114  100.494    114.174  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  15 o 10.801  5.4926  -44.2785   78.614   -167.5889  125.246  35.885     100.984  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  16 o 13.174  6.5726  88.106     85.207   103.186    126.851  75.707     115.019  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  17 o 11.487  5.8023  -0.9954    77.776   -79.5043   121.854  52.975     101.032  ?       ?       12.414  6.3043  0.000000       6.304328 
1 1 1 -30 17  18 o ?       ?       -91.0280   80.411   -32.9454   127.206  -129.6841  103.775  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  19 o 16.880  7.9950  222.499    87.305   229.776    133.678  217.086    115.288  ?       ?       14.495  7.2891  0.000000       7.289079 
1 1 1 -30 17  20 o 13.699  6.7612  104.430    81.229   228.993    143.571  45.785     98.512   ?       ?       12.330  6.2581  0.000000       6.258071 
1 1 1 -30 17  21 o 9.9673  5.0663  -69.5193   66.282   -179.1902  132.177  -32.6758   76.611   ?       ?       10.919  5.5397  0.000000       5.539687 
1 1 1 -30 17  22 o 11.522  5.8146  5.3242     77.099   168.623    140.985  -64.3453   92.088   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  23 o ?       ?       9.4780     126.243  -39.1053   151.626  119.253    227.921  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  24 o ?       ?       -65.7304   127.542  -11.6670   149.401  -211.0063  244.906  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  25 o ?       ?       -39.2657   121.067  66.022     138.250  -385.6131  250.746  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  26 o 13.085  6.5633  125.894    90.393   60.987     136.965  175.982    120.318  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 17  27 o 15.376  7.4849  235.815    89.493   181.120    136.713  276.825    118.382  ?       ?       13.917  7.0419  0.000000       7.041901 
1 1 1 -30 17  28 o ?       ?       223.202    123.502  224.202    138.722  219.384    271.186  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  1  o ?       ?       -22.1644   117.689  -2.0321    126.670  -149.2201  318.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  2  o ?       ?       -54.2568   115.809  -20.3580   125.470  -249.3114  300.972  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  3  o ?       ?       19.821     122.394  -16.2764   133.234  214.972    309.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  4  o 15.180  7.3958  179.735    87.928   236.508    144.285  146.195    110.900  ?       ?       13.420  6.7931  0.000000       6.793131 
1 1 1 -30 18  5  o 10.685  5.4229  -39.2950   73.878   -68.2541   113.608  -18.0756   97.248   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  6  o 10.564  5.3598  -42.5837   71.747   -103.6576  103.140  14.679     99.869   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  7  o 12.266  6.1438  45.135     77.880   -62.7467   107.669  163.519    112.788  ?       ?       13.588  6.8755  0.000000       6.875491 
1 1 1 -30 18  8  o 11.508  5.7989  7.6342     75.027   29.145     113.972  -8.8161    99.669   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  9  o 16.594  7.8896  220.757    86.615   248.777    122.565  192.803    122.419  14.396  7.2730  13.676  6.9448  0.7199345      10.05620 
1 1 1 -30 18  10 o 13.374  6.7513  133.918    104.325  67.916     229.541  151.101    117.121  ?       ?       13.299  6.7572  0.000000       6.757222 
1 1 1 -30 18  11 o 14.764  7.3944  240.408    112.678  225.941    242.092  244.408    127.308  ?       ?       14.139  7.1699  0.000000       7.169878 
1 1 1 -30 18  12 o 12.969  6.5681  106.065    104.427  -39.8063   233.696  142.459    116.730  ?       ?       13.210  6.7151  0.000000       6.715123 
1 1 1 -30 18  13 o 10.998  5.5767  -23.4572   76.868   -47.4486   116.703  -5.0733    102.158  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  14 o 12.350  6.2028  50.662     82.125   17.189     127.264  74.547     107.504  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  15 o ?       ?       -67.7065   77.492   -106.6963  119.259  -39.2153   101.947  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  16 o ?       ?       -96.6399   78.643   -42.0470   120.298  -137.3838  103.925  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  17 o 13.685  6.8144  122.701    89.821   12.065     127.157  232.885    126.897  ?       ?       14.080  7.1420  0.000000       7.142026 
1 1 1 -30 18  18 o ?       ?       -62.9474   72.984   -150.6189  121.871  -13.9229   91.134   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  19 o 10.907  5.5049  -18.2752   69.179   83.436     132.531  -56.3676   81.106   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  20 o 12.343  6.1398  49.000     72.093   -135.5195  130.672  129.741    86.439   ?       ?       13.875  6.8709  0.000000       6.870945 
1 1 1 -30 18  21 o 12.235  6.1250  48.787     76.876   99.000     137.421  25.915     92.746   ?       ?       11.828  6.0100  0.000000       6.009979 
1 1 1 -30 18  22 o ?       ?       11.404     131.797  46.021     154.350  -81.7679   253.226  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  23 o ?       ?       -49.6273   129.696  -9.6642    151.482  -159.3642  251.020  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  24 o ?       ?       -150.4830  115.440  -193.8874  131.036  -0.0143    243.976  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  25 o 12.414  6.1807  78.454     73.799   54.831     132.088  89.175     88.983   ?       ?       12.280  6.2033  0.000000       6.203312 
1 1 1 -30 18  26 o ?       ?       1.4481     79.815   208.221    142.189  -93.6783   96.443   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 18  27 o 13.275  6.6230  168.324    86.524   164.464    140.932  170.660    109.614  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  1  o ?       ?       -269.1038  293.523  0.0000     0.0000   -269.1038  293.523  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  2  o ?       ?       -75.8291   117.929  -73.8808   127.604  -87.2354   308.747  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  3  o 10.686  5.3856  -20.5788   64.840   46.296     124.105  -45.6865   76.043   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  4  o 11.337  5.7105  4.2953     72.362   16.717     104.137  -7.3025    100.625  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  5  o 12.117  6.0738  42.426     76.796   273.397    122.348  -107.7343  98.650   14.604  7.3647  ?       ?       0.000000       7.364728 
1 1 1 -30 19  6  o 10.949  5.5326  -14.6141   71.059   -6.2390    105.258  -21.6273   96.321   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  7  o 13.029  6.4696  85.205     78.685   47.046     113.001  121.122    109.629  ?       ?       12.957  6.5788  0.000000       6.578821 
1 1 1 -30 19  8  o 13.399  6.7778  153.246    109.158  300.886    225.985  108.315    124.666  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  9  o ?       ?       -152.0598  87.044   168.031    202.273  -224.8058  96.429   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  10 o 12.143  6.1724  49.883     98.440   -253.8048  222.148  124.087    109.811  ?       ?       12.979  6.5895  0.000000       6.589508 
1 1 1 -30 19  11 o ?       ?       -95.4852   87.195   -90.1419   201.950  -96.7095   96.669   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  12 o ?       ?       -117.4036  75.173   -165.9723  122.807  -88.3000   95.064   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  13 o 12.072  6.0735  40.475     80.584   40.411     123.493  40.522     106.345  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  14 o 14.941  7.2892  172.279    86.198   177.488    128.444  168.010    116.267  ?       ?       13.437  6.8178  0.000000       6.817755 
1 1 1 -30 19  15 o 14.636  7.1872  166.144    88.054   203.567    130.927  135.238    118.982  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  16 o 11.100  5.6271  -14.6200   78.016   -149.1419  119.987  83.903     102.685  ?       ?       12.589  6.3897  0.000000       6.389677 
1 1 1 -30 19  17 o 11.036  5.5807  -12.2880   73.574   28.406     125.278  -33.7131   90.901   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  18 o 13.397  6.6472  108.027    82.410   122.817    141.760  100.478    101.282  ?       ?       12.776  6.4697  0.000000       6.469740 
1 1 1 -30 19  19 o 14.111  6.9149  134.424    80.166   186.118    139.165  108.751    98.073   ?       ?       12.894  6.5135  0.000000       6.513542 
1 1 1 -30 19  20 o 12.821  6.3631  81.382     75.738   -11.2270   133.199  125.631    92.071   ?       ?       13.255  6.6453  0.000000       6.645261 
1 1 1 -30 19  21 o ?       ?       52.583     133.220  33.582     148.331  131.842    302.951  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  22 o ?       ?       252.565    144.769  158.678    163.019  602.874    314.889  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  23 o ?       ?       -116.7544  127.384  -109.0338  148.252  -138.5348  249.004  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  24 o 10.488  5.3325  -14.6079   73.794   5.7476     129.057  -24.4957   89.948   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 19  25 o ?       ?       -85.5672   70.854   -59.1832   134.943  -95.6097   83.253   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  1  o 11.855  5.8639  33.044     62.327   -152.3346  134.311  83.922     70.362   ?       ?       13.183  6.4639  0.000000       6.463916 
1 1 1 -30 20  2  o 12.814  6.2658  66.381     64.781   35.957     109.556  82.737     80.329   ?       ?       12.840  6.4020  0.000000       6.401978 
1 1 1 -30 20  3  o 14.169  6.8498  117.790    71.708   146.551    120.264  101.925    89.323   ?       ?       12.996  6.5196  0.000000       6.519618 
1 1 1 -30 20  4  o ?       ?       -109.2957  69.191   -64.2986   99.861   -150.8452  95.959   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  5  o 10.821  5.4822  -20.4593   73.208   -5.8990    104.613  -34.4324   102.482  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  6  o ?       ?       -79.1433   90.107   88.567     223.378  -111.7356  98.474   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  7  o ?       ?       38.461     102.005  229.967    278.362  8.7562     109.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  8  o 13.502  6.8298  174.404    110.762  526.685    261.091  97.091     122.314  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  9  o ?       ?       -1.5253    96.739   178.888    220.627  -44.4673   107.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  10 f 11.305  5.7210  3.1809     78.337   -9.1303    118.370  12.775     104.494  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  11 o ?       ?       -45.0214   74.332   -127.7470  109.714  25.171     101.061  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  12 o 14.258  6.9956  145.580    82.837   52.784     118.446  234.423    115.895  ?       ?       14.190  7.1574  0.000000       7.157371 
1 1 1 -30 20  13 o 13.081  6.5213  98.350     83.277   147.533    124.220  58.200     112.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  14 o 12.465  6.2528  68.172     82.087   -8.4722    123.420  128.973    109.925  ?       ?       12.914  6.5603  0.000000       6.560287 
1 1 1 -30 20  15 o ?       ?       -71.5879   82.274   -13.3892   120.822  -121.9083  112.346  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  16 o 10.649  5.4041  -28.5408   73.267   10.806     127.447  -47.9636   89.543   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  17 o 11.220  5.6502  8.7426     70.598   -7.3199    130.089  15.448     84.052   ?       ?       11.456  5.8111  0.000000       5.811114 
1 1 1 -30 20  18 o 11.528  5.8188  25.163     77.453   9.7391     130.937  33.465     96.062   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  19 o 13.458  6.6972  135.625    86.144   133.073    136.086  137.331    111.277  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  20 o ?       ?       -83.3588   128.498  -66.8885   142.563  -154.6878  296.681  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  21 o ?       ?       -144.1611  126.638  -135.2928  137.984  -191.5313  318.905  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  22 o 11.674  5.8632  54.455     73.379   -62.8959   147.807  92.837     84.531   ?       ?       12.198  6.1475  0.000000       6.147503 
1 1 1 -30 20  23 o ?       ?       -60.2443   65.610   -214.9833  132.183  -9.6577    75.578   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 20  24 o ?       ?       -10.1025   71.629   -185.6703  137.547  55.227     83.904   ?       ?       11.207  5.6966  0.000000       5.696552 
1 1 1 -30 21  1  o 13.060  6.3266  73.709     61.912   214.854    95.015   -30.4368   81.617   14.999  7.3854  ?       ?       0.000000       7.385381 
1 1 1 -30 21  2  o 24.506  9.3583  328.082    77.461   505.688    116.854  188.867    103.457  19.960  9.3916  13.917  6.9863  6.043375       11.70516 
1 1 1 -30 21  3  o 12.949  6.2718  69.908     60.805   -1.3271    102.995  108.019    75.335   ?       ?       13.514  6.6389  0.000000       6.638875 
1 1 1 -30 21  4  o ?       ?       -52.7469   71.345   -65.5292   105.774  -42.0774   96.638   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  5  o ?       ?       -19.3198   92.950   -33.6748   226.195  -16.4033   101.956  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  6  o ?       ?       -111.1763  92.086   55.977     267.547  -133.6393  98.079   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  7  o 12.967  6.5876  144.390    111.041  382.949    275.371  98.068     121.343  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  8  o 23.677  10.159  503.382    104.659  844.433    155.328  219.802    141.637  20.210  9.8431  ?       ?       0.000000       9.843058 
1 1 1 -30 21  9  o 79.902  8.2568  1946.65    157.770  2236.55    221.818  1649.83    224.446  32.790  14.419  20.086  10.109  12.70395       17.61015 
1 1 1 -30 21  10 o 11.618  5.8592  27.539     77.537   -7.5904    113.347  58.436     106.299  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  11 o 10.670  5.4239  -28.2849   76.085   20.343     110.347  -72.3563   105.050  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  12 o 14.549  7.1588  181.964    88.746   238.553    123.002  120.519    128.170  13.703  6.9588  ?       ?       0.000000       6.958837 
1 1 1 -30 21  13 o 11.869  5.9841  44.056     80.526   46.798     115.872  41.496     111.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  14 o 11.521  5.8293  25.245     81.031   1.2559     119.021  45.971     110.628  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  15 o 11.834  5.9634  45.787     79.403   125.926    139.201  7.1343     96.674   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  16 o 15.024  7.2774  186.092    81.894   81.358     135.430  246.466    102.824  ?       ?       14.670  7.3028  0.000000       7.302823 
1 1 1 -30 21  17 o ?       ?       -25.1400   76.176   -23.8784   129.955  -25.8004   94.022   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  18 o ?       ?       -90.5879   129.926  -169.1063  142.443  298.197    316.965  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  19 o ?       ?       -141.1459  126.272  -134.2219  139.782  -171.8596  294.401  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  20 o ?       ?       41.624     133.057  13.357     147.568  164.518    307.692  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  21 f 12.638  6.3291  126.907    82.509   113.635    137.081  134.447    103.320  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  22 o 11.020  5.5867  41.097     76.971   176.664    127.284  -37.0588   96.645   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 21  23 o 10.522  5.3516  20.700     74.808   101.809    135.841  -14.6049   89.622   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  1  o 12.183  5.9319  49.006     56.304   -19.9815   87.471   97.813     73.573   ?       ?       13.140  6.4755  0.000000       6.475478 
1 1 1 -30 22  2  o 11.944  5.8551  42.710     57.644   99.968     88.390   0.3371     76.039   12.700  6.3858  11.048  5.5958  1.652223       8.490664 
1 1 1 -30 22  3  o 11.958  6.0084  50.969     77.422   62.360     253.245  49.795     81.316   ?       ?       11.908  6.0048  0.000000       6.004768 
1 1 1 -30 22  4  o ?       ?       -179.7579  67.795   -509.6336  250.362  -153.6557  70.426   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  5  f ?       ?       68.767     100.181  73.664     250.294  67.832     109.319  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  6  o ?       ?       56.797     97.119   238.441    267.793  29.288     104.214  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  7  o 15.301  7.4105  202.691    84.826   26.319     125.660  350.345    114.976  ?       ?       15.739  7.8164  0.000000       7.816374 
1 1 1 -30 22  8  o ?       ?       -37.7620   79.131   39.008     123.318  -91.4988   103.173  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  9  o 11.152  5.6484  8.5661     77.369   63.727     113.401  -39.4696   105.823  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  10 o ?       ?       -72.5069   75.271   -40.5947   115.731  -95.9032   99.093   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  11 o 12.022  6.0483  60.288     79.926   81.446     116.362  41.390     109.975  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  12 o 12.732  6.3607  98.703     81.021   71.371     116.026  124.714    113.187  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  13 o 10.990  5.5730  4.4290     76.916   -61.1109   111.442  64.052     106.293  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  14 o ?       ?       -100.9055  72.958   -135.1408  106.857  -71.0101   99.855   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  15 o 12.399  6.1867  84.250     75.584   79.810     120.898  87.098     96.843   ?       ?       12.025  6.1132  0.000000       6.113213 
1 1 1 -30 22  16 o 10.206  5.1844  -26.7242   68.668   -51.2611   135.992  -18.3270   79.556   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  17 o ?       ?       73.789     125.359  22.339     137.482  327.516    305.308  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  18 o ?       ?       -78.1974   117.986  -66.1288   128.791  -141.2066  294.279  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  19 o ?       ?       96.612     135.952  58.495     151.122  258.382    311.326  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  20 o ?       ?       -17.5876   76.245   -52.5282   130.584  0.4856     93.917   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 22  21 o 11.013  5.5786  54.481     75.626   11.179     133.334  75.018     91.826   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  1  o 10.163  5.1174  -18.6271   57.837   -546.4936  236.222  15.035     59.652   ?       ?       10.994  5.4870  0.000000       5.487008 
1 1 1 -30 23  2  o 12.745  6.3534  99.383     78.946   -74.8829   251.192  118.482    83.160   ?       ?       13.006  6.4894  0.000000       6.489370 
1 1 1 -30 23  3  o 12.697  6.3197  94.346     76.909   -232.7444  256.530  126.650    80.618   ?       ?       13.302  6.5957  0.000000       6.595747 
1 1 1 -30 23  4  o ?       ?       -125.2852  68.517   -128.8584  249.090  -124.9927  71.266   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  5  o 12.738  6.2857  86.901     70.094   172.610    94.684   -17.0248   104.262  13.540  6.7808  ?       ?       0.000000       6.780759 
1 1 1 -30 23  6  o 10.830  5.4983  -3.0555    76.332   108.739    118.571  -82.1776   99.751   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  7  o 12.068  6.0792  71.880     82.090   119.180    127.082  38.010     107.537  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  8  o ?       ?       -32.2520   76.404   -42.8950   115.444  -23.9568   101.918  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  9  o 11.695  5.9121  52.967     81.995   44.301     126.634  59.223     107.595  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  10 o 12.235  6.1557  86.290     82.783   163.618    123.769  23.692     111.358  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  11 o 11.383  5.7610  37.373     79.440   -57.1658   114.134  126.208    110.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  12 f 12.221  6.1305  85.863     78.958   81.644     113.226  89.857     110.164  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  13 o ?       ?       -37.8797   74.336   -46.5577   107.164  -29.8314   103.203  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  14 o 12.461  6.2469  108.876    81.292   -53.5049   116.095  265.082    113.867  ?       ?       13.526  6.8509  0.000000       6.850864 
1 1 1 -30 23  15 o ?       ?       -107.4313  103.612  -124.4201  109.795  30.789     313.176  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  16 o ?       ?       42.791     124.229  76.954     134.481  -155.9940  324.394  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  17 o ?       ?       -206.8544  121.430  -131.3804  131.156  -659.8913  321.332  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  18 o ?       ?       12.588     81.216   151.157    148.184  -46.9064   97.098   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  19 o ?       ?       -31.2515   67.392   -93.2761   118.830  -1.8434    81.824   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 23  20 o ?       ?       63.873     79.936   66.442     134.330  62.464     99.463   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  1  o 13.428  6.6990  165.685    88.514   -24.3997   256.260  191.435    94.319   ?       ?       13.601  6.8049  0.000000       6.804870 
1 1 1 -30 24  2  o ?       ?       -65.8830   71.560   -133.1869  247.359  -59.7356   74.757   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  3  o 10.300  5.1641  -3.2850    55.655   9.7202     82.065   -14.3606   75.733   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  4  o 10.545  5.3054  2.3957     61.470   120.538    92.520   -90.9699   82.248   12.431  6.2838  ?       ?       0.000000       6.283758 
1 1 1 -30 24  5  o 10.701  5.4225  3.1927     71.934   -2.6896    105.923  8.2278     97.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  6  f 11.427  5.7749  45.826     77.802   19.687     117.875  66.004     103.567  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  7  o 11.375  5.7459  43.626     76.288   16.981     111.482  67.092     104.621  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  8  o 10.663  5.4217  1.1286     76.397   -16.5109   114.558  15.256     102.523  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  9  o 10.958  5.5723  21.205     80.905   -23.1227   126.327  52.030     105.344  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  10 o ?       ?       -66.5755   75.842   -140.1706  115.975  -11.5858   100.249  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  11 o 10.482  5.3293  -2.0129    73.753   -67.0355   115.563  42.672     95.800   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  12 f 13.071  6.5122  152.240    82.477   128.575    126.298  169.837    108.906  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  13 o ?       ?       22.243     86.614   -3.4117    146.851  35.928     107.256  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  14 o ?       ?       -16.4049   120.183  -22.8037   129.861  21.791     317.273  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  15 o ?       ?       157.921    130.551  66.327     141.724  671.096    335.462  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  16 o ?       ?       8.5715     123.000  -36.7128   132.835  280.879    325.737  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 24  17 o 11.799  5.9260  109.005    74.913   19.653     124.563  159.635    93.765   ?       ?       11.912  6.0518  0.000000       6.051777 
1 1 1 -30 24  18 o ?       ?       34.347     74.352   46.113     131.727  28.846     90.073   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  1  o 9.0154  4.5662  -45.4378   50.585   -185.8753  80.530   46.092     65.012   ?       ?       11.323  5.6629  0.000000       5.662940 
1 1 1 -30 25  2  o 10.784  5.4046  22.332     60.689   15.417     89.388   28.245     82.659   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  3  o 13.082  6.3497  105.186    63.164   162.438    95.555   60.757     84.176   12.646  6.3918  11.387  5.7802  1.258628       8.617725 
1 1 1 -30 25  4  o 11.841  5.8598  65.117     62.531   117.003    92.392   21.259     84.943   12.051  6.1110  ?       ?       0.000000       6.110967 
1 1 1 -30 25  5  o 12.423  6.2006  109.328    76.212   215.668    116.463  29.689     100.787  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  6  o 11.757  5.9308  82.970     79.730   97.379     121.505  72.073     105.659  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  7  o ?       ?       -31.0377   75.100   -104.7769  113.474  26.436     100.180  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  8  o 11.944  6.0288  102.977    83.145   222.588    125.922  10.516     110.712  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  9  o ?       ?       -18.7169   75.118   -57.7867   111.193  14.085     101.883  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  10 o ?       ?       -16.0284   77.690   -3.4549    113.725  -27.0305   106.382  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  11 o ?       ?       -29.0138   80.413   -100.5854  129.399  16.015     102.637  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  12 o ?       ?       -216.8136  111.761  -212.7406  118.764  -248.3274  330.352  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  13 o ?       ?       51.173     122.624  146.935    130.811  -642.8974  352.166  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  14 o ?       ?       -37.4604   119.731  -127.1613  128.995  520.602    321.747  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  15 o ?       ?       63.791     87.853   227.240    136.466  -51.8973   114.809  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 25  16 f ?       ?       -113.9570  75.887   -90.4987   108.101  -136.7498  106.556  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  1  o 11.329  5.6336  55.504     60.505   -28.4617   93.256   116.544    79.511   ?       ?       12.094  6.0781  0.000000       6.078054 
1 1 1 -30 26  2  o 10.688  5.3465  29.430     58.090   72.923     86.409   -6.4366    78.468   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  3  f 10.444  5.2420  19.543     58.107   -36.6350   86.191   66.349     78.673   ?       ?       11.219  5.6835  0.000000       5.683530 
1 1 1 -30 26  4  o 9.7523  4.9586  -20.1604   63.877   77.464     112.004  -67.2186   77.763   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  5  o 14.627  7.0825  214.042    77.381   346.889    121.108  122.394    100.591  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  6  o ?       ?       -65.5177   73.329   46.814     110.081  -155.1264  98.319   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  7  o 11.395  5.7556  81.764     76.500   156.953    109.907  11.105     106.545  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  8  f ?       ?       -45.4447   68.746   -10.8362   102.896  -73.3486   92.393   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  9  f ?       ?       -80.5562   68.545   -148.7697  99.542   -19.0438   94.527   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  10 o ?       ?       -82.1717   100.918  -130.6207  108.321  236.373    277.750  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  11 o ?       ?       24.277     122.790  48.177     132.650  -118.7959  324.551  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  12 o ?       ?       52.250     127.219  29.364     136.136  209.975    357.395  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  13 o ?       ?       -125.0853  115.688  -171.5333  124.211  178.950    317.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 26  14 f ?       ?       -56.1306   74.821   -48.1475   107.929  -63.5168   103.816  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  1  o 10.463  5.2851  34.107     64.560   -3.9865    90.880   72.915     91.728   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  2  o 9.8904  4.9945  6.8395     57.407   -128.5283  88.785   104.089    75.253   ?       ?       11.576  5.8297  0.000000       5.829689 
1 1 1 -30 27  3  o ?       ?       -55.1511   56.273   -14.7099   90.055   -81.0567   72.077   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  4  o 11.381  5.6897  80.108     65.325   69.478     109.888  85.918     81.238   ?       ?       11.067  5.6234  0.000000       5.623448 
1 1 1 -30 27  5  o 9.8148  4.9686  4.4408     59.393   -127.8543  103.618  69.174     72.481   ?       ?       10.936  5.5312  0.000000       5.531174 
1 1 1 -30 27  6  o ?       ?       26.263     72.649   56.985     106.413  -0.5563    99.425   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  7  o ?       ?       -6.6722    74.253   94.176     107.204  -99.6646   102.944  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  8  o ?       ?       -223.9547  64.489   -67.3338   106.547  -314.5026  81.013   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  9  o ?       ?       -4.0053    109.822  -32.3776   120.570  134.182    266.088  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  10 o ?       ?       24.260     120.827  -19.1411   132.603  236.571    293.283  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 27  11 o ?       ?       18.027     120.602  38.222     130.075  -105.6637  321.917  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  1  o ?       ?       6.3742     67.877   -80.8707   100.073  80.712     92.375   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  2  o 9.4080  4.7819  -4.3765    59.041   -30.9664   94.586   12.597     75.570   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  3  o ?       ?       22.091     67.183   7.3958     113.617  29.992     83.307   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  4  o ?       ?       -21.2437   61.069   11.770     105.489  -37.8850   74.895   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  5  o 13.347  6.5908  225.483    77.526   180.748    121.904  255.863    100.459  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  6  o 9.8766  5.0203  28.563     65.127   21.370     107.914  32.684     81.678   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  7  f ?       ?       36.894     119.946  -6.1401    133.445  217.899    273.680  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 28  8  o ?       ?       -40.7211   117.910  -69.7451   129.184  104.129    288.594  ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 29  1  o 9.4558  4.8060  17.433     59.593   -65.7591   101.635  61.020     73.566   ?       ?       ?       ?       0.000000       ?        
1 1 1 -30 29  2  o 9.3446  4.7503  11.993     58.391   -69.8799   95.826   60.347     73.642   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 27 o ?       ?       -4.2519    77.366   0.0000     0.0000   -4.2519    77.366   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 28 o ?       ?       60.073     84.445   0.0000     0.0000   60.073     84.445   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 29 o ?       ?       31.788     76.414   -47.7587   184.984  48.154     83.908   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 30 o ?       ?       24.824     86.420   -85.6352   168.387  64.322     100.693  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 31 o ?       ?       38.410     85.910   -112.9046  191.770  76.401     96.091   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 32 o ?       ?       21.108     88.174   226.753    196.971  -30.4284   98.606   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -32 33 o ?       ?       -8.5434    63.236   61.276     173.926  -19.1789   67.882   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 22 o ?       ?       76.256     115.353  0.0000     0.0000   76.256     115.353  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 23 o ?       ?       -69.0685   108.918  0.0000     0.0000   -69.0685   108.918  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 24 o ?       ?       -12.7745   63.244   0.0000     0.0000   -12.7745   63.244   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 25 o ?       ?       -117.7169  58.181   0.0000     0.0000   -117.7169  58.181   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 26 o 11.270  5.6941  81.386     75.184   0.0000     0.0000   81.386     75.184   ?       ?       11.270  5.6941  0.000000       5.694053 
1 1 1 -29 -31 27 o 10.612  5.3879  38.265     73.383   0.0000     0.0000   38.265     73.383   ?       ?       10.612  5.3879  0.000000       5.387866 
1 1 1 -29 -31 28 o 10.302  5.2348  17.057     70.386   29.231     169.257  14.512     77.395   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 29 o ?       ?       -31.7794   72.213   -79.6405   166.382  -20.6711   80.156   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 30 f ?       ?       -105.4412  66.545   -193.8670  159.367  -86.7680   73.235   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 31 o ?       ?       -0.7696    90.205   21.721     199.223  -6.5695    101.170  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 32 o ?       ?       56.826     85.912   37.573     159.679  64.670     101.922  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 33 o 11.324  5.7397  89.225     80.888   -42.0793   158.385  135.557    94.083   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 34 o 9.9130  5.0205  1.2707     61.064   -76.0078   154.599  15.556     66.469   ?       ?       10.218  5.1813  0.000000       5.181308 
1 1 1 -29 -31 35 o 11.495  5.8086  101.168    78.375   196.115    177.642  78.219     87.334   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 36 o ?       ?       -49.2026   117.588  2.5896     154.314  -120.9154  181.582  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 37 o ?       ?       -26.5394   157.814  -376.9369  402.033  37.288     171.587  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -31 38 o ?       ?       -1.8632    162.611  163.884    408.889  -33.0022   177.229  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 19 o 9.5983  4.6789  9.7193     35.321   0.0000     0.0000   9.7193     35.321   ?       ?       9.5983  4.6789  0.000000       4.678882 
1 1 1 -29 -30 20 o ?       ?       481.217    132.359  0.0000     0.0000   481.217    132.359  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 21 o ?       ?       1.0595     73.355   0.0000     0.0000   1.0595     73.355   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 22 o ?       ?       -160.4358  116.727  0.0000     0.0000   -160.4358  116.727  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -30 24 o 13.396  6.6368  172.810    80.991   0.0000     0.0000   172.810    80.991   ?       ?       13.396  6.6368  0.000000       6.636818 
1 1 1 -29 -30 25 o 10.970  5.5411  37.509     70.927   0.0000     0.0000   37.509     70.927   ?       ?       10.970  5.5411  0.000000       5.541111 
1 1 1 -29 -30 26 o 11.025  5.5293  36.934     64.059   -234.4478  171.333  81.036     69.069   ?       ?       11.955  5.9568  0.000000       5.956758 
1 1 1 -29 -30 27 o ?       ?       -48.9188   61.445   -168.7081  153.908  -26.2059   67.017   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 28 o 11.394  5.7184  54.051     69.135   -131.1775  166.739  92.507     75.973   ?       ?       12.044  6.0379  0.000000       6.037863 
1 1 1 -29 -30 29 o 9.8216  4.9950  -29.8797   65.101   -230.1667  169.628  4.7172     70.500   ?       ?       10.482  5.3176  0.000000       5.317605 
1 1 1 -29 -30 30 o ?       ?       -108.5245  63.909   -154.4171  141.626  -96.7902   71.615   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 31 o ?       ?       38.866     89.009   38.457     163.946  39.036     105.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 32 o ?       ?       -95.3891   76.379   -108.6960  146.226  -90.3964   89.568   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 33 o 11.251  5.6981  54.028     78.611   112.456    161.355  35.843     90.017   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 34 o 11.730  5.8242  66.515     63.720   -92.7756   151.790  100.591    70.206   ?       ?       12.370  6.1372  0.000000       6.137204 
1 1 1 -29 -30 35 o 10.571  5.3353  17.897     64.959   -4.1126    155.118  22.577     71.533   ?       ?       10.684  5.4134  0.000000       5.413399 
1 1 1 -29 -30 36 o 9.9310  5.0046  -5.0997    55.941   -160.3466  150.222  19.895     60.276   ?       ?       10.541  5.2969  0.000000       5.296883 
1 1 1 -29 -30 37 o ?       ?       160.244    168.135  584.714    434.043  85.305     182.374  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 38 o ?       ?       -39.4124   96.288   -92.8291   401.929  -36.1601   99.176   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 39 o ?       ?       -33.5086   59.914   32.063     159.774  -44.2380   64.630   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -30 40 o 10.359  5.2273  24.948     62.246   111.954    168.747  11.245     66.969   ?       ?       10.131  5.1439  0.000000       5.143867 
1 1 1 -29 -29 16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -29 17 o 7.2467  3.5454  -15.8643   20.823   0.0000     0.0000   -15.8643   20.823   ?       ?       7.2467  3.5454  0.000000       3.545419 
1 1 1 -29 -29 18 o 10.959  5.5706  42.724     80.259   0.0000     0.0000   42.724     80.259   ?       ?       10.959  5.5706  0.000000       5.570649 
1 1 1 -29 -29 19 o ?       ?       -641.0773  13.930   0.0000     0.0000   -641.0773  13.930   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 20 o 11.764  5.8517  64.565     65.475   0.0000     0.0000   64.565     65.475   ?       ?       11.764  5.8517  0.000000       5.851725 
1 1 1 -29 -29 21 o 10.048  5.1003  -21.8298   65.543   0.0000     0.0000   -21.8298   65.543   ?       ?       10.048  5.1003  0.000000       5.100319 
1 1 1 -29 -29 22 o ?       ?       -238.6934  122.877  0.0000     0.0000   -238.6934  122.877  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -29 24 o 13.376  6.6224  142.610    80.156   0.0000     0.0000   142.610    80.156   ?       ?       13.376  6.6224  0.000000       6.622416 
1 1 1 -29 -29 25 o 14.013  6.8204  147.809    74.223   281.398    179.378  120.213    81.529   ?       ?       12.838  6.4086  0.000000       6.408635 
1 1 1 -29 -29 26 o 12.919  6.3816  105.634    72.920   146.355    167.583  96.123     80.988   ?       ?       12.394  6.2161  0.000000       6.216122 
1 1 1 -29 -29 27 o 12.790  6.3320  100.459    73.260   -73.5701   171.847  139.111    80.988   ?       ?       13.358  6.6210  0.000000       6.620998 
1 1 1 -29 -29 28 o 11.766  5.8849  53.901     70.280   -95.9313   167.635  85.853     77.412   ?       ?       12.317  6.1631  0.000000       6.163071 
1 1 1 -29 -29 29 o 11.433  5.7414  38.251     70.195   -213.5559  147.590  111.862    79.798   ?       ?       12.809  6.3855  0.000000       6.385494 
1 1 1 -29 -29 30 o 10.255  5.2055  -24.2328   68.302   -264.3559  144.352  45.035     77.531   ?       ?       11.527  5.8189  0.000000       5.818885 
1 1 1 -29 -29 31 o ?       ?       1.4378     82.974   -137.8540  153.470  58.970     98.632   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 32 o ?       ?       -18.1192   82.173   53.034     153.046  -46.9394   97.403   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 33 f 13.251  6.5741  135.389    80.546   395.855    181.834  71.805     89.841   ?       ?       11.797  5.9864  0.000000       5.986446 
1 1 1 -29 -29 34 o 13.924  6.7409  134.571    70.047   247.758    160.194  107.814    77.887   ?       ?       12.694  6.3252  0.000000       6.325215 
1 1 1 -29 -29 35 o 9.9379  5.0445  -31.6806   64.099   -117.0873  155.441  -14.1817   70.360   ?       ?       10.377  5.2694  0.000000       5.269359 
1 1 1 -29 -29 36 o 10.871  5.4700  18.665     65.497   87.936     156.551  3.9671     72.112   ?       ?       10.659  5.4044  0.000000       5.404423 
1 1 1 -29 -29 37 o ?       ?       -104.7627  93.368   155.647    415.213  -118.6316  95.822   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 38 o ?       ?       -71.9159   89.469   -599.6979  390.787  -42.7216   91.910   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 39 o ?       ?       -78.1530   57.177   -266.0390  156.692  -49.2923   61.412   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -29 40 o 10.325  5.2199  5.4756     63.943   52.550     157.469  -3.8191    69.971   ?       ?       10.244  5.2068  0.000000       5.206768 
1 1 1 -29 -29 41 o ?       ?       -27.7012   63.115   186.975    159.500  -67.5557   68.724   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -28 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -28 16 o 9.4045  4.3998  7.9680     25.031   0.0000     0.0000   7.9680     25.031   ?       ?       9.4045  4.3998  0.000000       4.399812 
1 1 1 -29 -28 17 o ?       ?       -45.9871   8.7171   0.0000     0.0000   -45.9871   8.7171   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 18 o 10.763  5.4603  3.6382     74.352   0.0000     0.0000   3.6382     74.352   ?       ?       10.763  5.4603  0.000000       5.460299 
1 1 1 -29 -28 19 o 9.0167  4.5828  -64.9110   54.179   0.0000     0.0000   -64.9110   54.179   ?       ?       9.0167  4.5828  0.000000       4.582840 
1 1 1 -29 -28 20 o 12.333  6.0948  69.739     66.765   0.0000     0.0000   69.739     66.765   ?       ?       12.333  6.0948  0.000000       6.094764 
1 1 1 -29 -28 21 o 12.630  6.2845  89.486     75.796   0.0000     0.0000   89.486     75.796   ?       ?       12.630  6.2845  0.000000       6.284540 
1 1 1 -29 -28 22 o ?       ?       120.139    145.683  0.0000     0.0000   120.139    145.683  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 23 o ?       ?       -8.9010    137.162  0.0000     0.0000   -8.9010    137.162  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 24 o 11.470  5.7353  28.712     66.552   -52.6902   141.721  51.742     75.380   ?       ?       11.935  5.9877  0.000000       5.987658 
1 1 1 -29 -28 25 o 11.944  5.9337  47.269     66.507   117.333    147.345  29.343     74.531   ?       ?       11.517  5.8004  0.000000       5.800387 
1 1 1 -29 -28 26 o 12.036  6.0045  52.392     71.108   6.7474     161.895  63.303     79.151   ?       ?       12.166  6.1078  0.000000       6.107779 
1 1 1 -29 -28 27 o 11.516  5.7649  28.531     68.125   199.234    151.240  -14.9212   76.304   ?       ?       10.804  5.4859  0.000000       5.485919 
1 1 1 -29 -28 28 o 10.687  5.3885  -9.2857    65.357   -53.1240   143.779  2.1320     73.376   ?       ?       11.043  5.5835  0.000000       5.583507 
1 1 1 -29 -28 29 o 12.496  6.1938  70.109     70.874   186.627    145.051  33.568     81.231   ?       ?       11.634  5.8817  0.000000       5.881739 
1 1 1 -29 -28 30 o 13.567  6.6267  109.660    71.850   53.446     148.073  126.972    82.172   ?       ?       13.485  6.6817  0.000000       6.681663 
1 1 1 -29 -28 31 o 14.367  7.1056  188.358    91.426   43.008     178.594  239.975    106.428  ?       ?       14.404  7.2102  0.000000       7.210164 
1 1 1 -29 -28 32 o 11.753  5.9642  43.610     89.168   180.651    183.221  1.0783     102.071  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 33 o 10.303  5.2267  -32.7519   68.098   -2.1057    180.598  -37.8313   73.525   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 34 o 11.127  5.5142  18.243     56.044   -75.0773   144.560  34.750     60.799   ?       ?       11.618  5.7549  0.000000       5.754901 
1 1 1 -29 -28 35 o 12.484  6.1673  71.392     68.183   -73.9739   159.098  104.097    75.464   ?       ?       13.091  6.4712  0.000000       6.471225 
1 1 1 -29 -28 36 o 12.765  6.2598  80.308     66.068   18.700     157.470  93.470     72.784   ?       ?       12.871  6.3613  0.000000       6.361327 
1 1 1 -29 -28 37 f ?       ?       68.066     122.100  133.288    393.567  61.120     128.437  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 38 o ?       ?       -43.6715   115.811  396.677    397.146  -84.5966   121.073  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 39 o ?       ?       -65.4555   61.424   147.890    157.432  -103.7636  66.711   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -28 40 o 10.338  5.2097  -5.1108    60.607   -47.9992   152.550  2.9275     66.043   ?       ?       10.595  5.3511  0.000000       5.351135 
1 1 1 -29 -28 41 o 12.630  6.2492  101.488    70.960   200.851    173.692  81.581     77.744   ?       ?       11.947  6.0047  0.000000       6.004726 
1 1 1 -29 -28 42 o 10.821  5.4467  25.050     65.249   -27.6112   161.786  35.280     71.306   ?       ?       11.017  5.5637  0.000000       5.563696 
1 1 1 -29 -28 43 o 11.898  5.9184  80.345     66.989   -260.3677  175.456  138.486    72.480   ?       ?       13.142  6.4669  0.000000       6.466875 
1 1 1 -29 -27 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -27 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -27 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -27 15 o 10.051  4.5693  14.269     24.352   0.0000     0.0000   14.269     24.352   ?       ?       10.051  4.5693  0.000000       4.569260 
1 1 1 -29 -27 16 o 11.734  5.4446  34.319     37.087   0.0000     0.0000   34.319     37.087   ?       ?       11.734  5.4446  0.000000       5.444615 
1 1 1 -29 -27 17 o 9.7468  4.6595  3.3510     31.075   0.0000     0.0000   3.3510     31.075   ?       ?       9.7468  4.6595  0.000000       4.659522 
1 1 1 -29 -27 18 o 13.126  6.5688  121.022    88.108   0.0000     0.0000   121.022    88.108   ?       ?       13.126  6.5688  0.000000       6.568773 
1 1 1 -29 -27 19 o 11.892  5.8616  39.555     60.378   0.0000     0.0000   39.555     60.378   ?       ?       11.892  5.8616  0.000000       5.861630 
1 1 1 -29 -27 20 o 12.240  6.0318  50.946     63.834   0.0000     0.0000   50.946     63.834   ?       ?       12.240  6.0318  0.000000       6.031792 
1 1 1 -29 -27 21 o 14.568  7.0906  153.235    80.238   0.0000     0.0000   153.235    80.238   ?       ?       14.568  7.0906  0.000000       7.090624 
1 1 1 -29 -27 22 o ?       ?       226.077    127.144  42.807     249.013  290.705    147.872  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 23 o ?       ?       -6.7797    117.983  -189.8114  225.846  61.920     138.365  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 24 o 13.133  6.4361  81.568     69.496   -13.5170   144.952  109.948    79.191   ?       ?       13.532  6.6779  0.000000       6.677878 
1 1 1 -29 -27 25 o 11.955  5.9700  37.129     71.029   -15.6183   146.503  53.338     81.212   ?       ?       12.241  6.1509  0.000000       6.150882 
1 1 1 -29 -27 26 o 11.197  5.6077  5.7474     64.766   -93.3660   128.674  39.378     74.953   ?       ?       12.004  6.0147  0.000000       6.014700 
1 1 1 -29 -27 27 o 12.027  5.9814  39.212     68.319   69.069     144.445  30.608     77.541   ?       ?       11.833  5.9540  0.000000       5.954014 
1 1 1 -29 -27 28 o 13.266  6.5105  87.642     71.893   74.651     153.758  91.277     81.331   ?       ?       13.049  6.4955  0.000000       6.495512 
1 1 1 -29 -27 29 o 11.058  5.5573  -2.3861    66.444   -61.2332   148.817  12.266     74.256   ?       ?       11.468  5.7776  0.000000       5.777599 
1 1 1 -29 -27 30 o 12.458  6.1556  55.479     68.036   182.808    161.265  27.908     75.042   ?       ?       11.777  5.9169  0.000000       5.916882 
1 1 1 -29 -27 31 f 11.606  5.8841  15.303     85.457   -104.1794  175.271  52.564     97.879   ?       ?       12.144  6.1710  0.000000       6.170955 
1 1 1 -29 -27 32 o 12.647  6.3668  80.980     89.315   261.239    187.163  27.826     101.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 33 o 12.516  6.2136  61.859     72.402   51.349     172.455  64.107     79.772   ?       ?       12.453  6.2349  0.000000       6.234855 
1 1 1 -29 -27 34 o 10.411  5.2592  -29.2111   64.008   124.830    154.930  -60.9155   70.287   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 35 o 14.110  6.8066  114.064    69.875   194.724    158.343  94.558     77.867   ?       ?       13.129  6.5050  0.000000       6.505002 
1 1 1 -29 -27 36 o 10.203  5.1623  -37.2935   63.591   -224.3289  152.183  2.2734     69.995   ?       ?       11.120  5.6032  0.000000       5.603209 
1 1 1 -29 -27 37 o ?       ?       -262.1330  122.525  0.0000     0.0000   -262.1330  122.525  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 38 o ?       ?       98.918     133.630  -593.0663  397.222  187.226    141.901  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 39 o 10.826  5.4797  -8.0282    72.052   132.514    165.708  -40.7945   80.012   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 40 o 11.389  5.7021  27.337     66.706   89.722     167.182  15.524     72.748   ?       ?       11.181  5.6433  0.000000       5.643266 
1 1 1 -29 -27 41 o 11.230  5.6396  24.325     67.751   -143.3807  161.025  60.399     74.683   ?       ?       11.953  5.9913  0.000000       5.991281 
1 1 1 -29 -27 42 o 11.261  5.6683  31.139     70.610   54.758     156.776  25.129     79.086   ?       ?       11.166  5.6611  0.000000       5.661114 
1 1 1 -29 -27 43 o 9.2199  4.6871  -55.5899   56.889   -6.4293    121.259  -69.4638   64.418   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -27 44 o 11.628  5.7829  58.246     63.826   -17.5842   126.873  83.939     73.851   ?       ?       11.978  5.9973  0.000000       5.997262 
1 1 1 -29 -26 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -26 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -26 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -26 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -26 14 o 7.3078  3.5039  -10.8493   17.861   0.0000     0.0000   -10.8493   17.861   ?       ?       7.3078  3.5039  0.000000       3.503856 
1 1 1 -29 -26 15 o 16.871  8.0405  263.550    91.058   0.0000     0.0000   263.550    91.058   ?       ?       16.871  8.0405  0.000000       8.040470 
1 1 1 -29 -26 16 o 9.2374  4.4797  -8.7496    31.254   0.0000     0.0000   -8.7496    31.254   ?       ?       9.2374  4.4797  0.000000       4.479677 
1 1 1 -29 -26 17 o 12.787  6.3776  77.091     79.996   0.0000     0.0000   77.091     79.996   ?       ?       12.787  6.3776  0.000000       6.377624 
1 1 1 -29 -26 18 o ?       ?       -80.9494   65.459   0.0000     0.0000   -80.9494   65.459   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 19 o 9.8703  4.9686  -40.0694   54.336   0.0000     0.0000   -40.0694   54.336   ?       ?       9.8703  4.9686  0.000000       4.968637 
1 1 1 -29 -26 20 o 12.955  6.3179  64.390     64.599   0.0000     0.0000   64.390     64.599   ?       ?       12.955  6.3179  0.000000       6.317896 
1 1 1 -29 -26 21 o 13.415  6.5323  81.438     68.316   -107.6685  155.305  126.809    76.072   ?       ?       14.479  7.0136  0.000000       7.013622 
1 1 1 -29 -26 22 o ?       ?       26.456     116.861  177.198    233.228  -24.0754   135.035  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 23 f ?       ?       -228.5454  111.288  -555.7753  212.409  -104.7292  130.657  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 24 o 12.326  6.1168  43.596     69.924   -27.2572   136.303  68.903     81.459   ?       ?       12.787  6.3867  0.000000       6.386705 
1 1 1 -29 -26 25 o 14.756  7.0728  125.729    72.656   23.736     133.540  168.617    86.595   ?       ?       15.049  7.3338  0.000000       7.333778 
1 1 1 -29 -26 26 o 11.847  5.8897  24.441     65.989   -17.8215   125.202  40.698     77.650   ?       ?       12.241  6.1318  0.000000       6.131755 
1 1 1 -29 -26 27 f 9.5312  4.8240  -62.6664   55.787   -87.2265   119.062  -55.7576   63.148   ?       ?       10.048  5.0904  0.000000       5.090419 
1 1 1 -29 -26 28 f 10.144  5.1330  -49.8400   62.873   4.2812     141.296  -63.2015   70.206   ?       ?       10.225  5.1988  0.000000       5.198830 
1 1 1 -29 -26 29 o 9.7356  4.9409  -68.3150   61.292   -89.8146   146.732  -63.7709   67.459   ?       ?       10.104  5.1331  0.000000       5.133124 
1 1 1 -29 -26 30 o 14.802  7.1150  131.067    74.698   85.195     165.800  142.750    83.671   ?       ?       14.537  7.1111  0.000000       7.111080 
1 1 1 -29 -26 31 o 12.003  6.0832  26.474     90.717   -70.4445   177.957  60.502     105.446  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 32 o 11.890  6.0460  17.436     95.076   -27.7964   175.761  36.147     113.042  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 33 o 10.430  5.2886  -47.5798   69.189   78.615     150.612  -81.3353   77.895   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 34 o 11.485  5.7507  9.1117     67.943   24.402     158.991  5.6955     75.151   ?       ?       11.517  5.8032  0.000000       5.803230 
1 1 1 -29 -26 35 o 9.9189  5.0345  -63.3234   63.747   -274.5428  149.413  -16.3187   70.484   ?       ?       11.001  5.5526  0.000000       5.552610 
1 1 1 -29 -26 36 o 13.117  6.4422  75.442     70.835   24.166     167.882  86.547     78.131   ?       ?       13.201  6.5362  0.000000       6.536167 
1 1 1 -29 -26 37 o ?       ?       55.427     130.948  -263.2066  407.785  92.061     138.271  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 38 o ?       ?       -136.0607  121.074  -652.1771  376.180  -76.4192   127.878  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 39 o 10.427  5.2779  -35.2681   66.911   115.029    143.572  -76.9697   75.626   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -26 40 o 14.956  7.1723  149.678    74.930   234.380    134.475  111.538    90.237   ?       ?       13.098  6.5683  0.000000       6.568289 
1 1 1 -29 -26 41 o 10.579  5.3176  -12.2403   61.025   -5.3582    113.670  -15.0270   72.332   ?       ?       10.799  5.4686  0.000000       5.468593 
1 1 1 -29 -26 42 o 12.512  6.1864  70.412     69.090   -5.3792    130.588  99.874     81.419   ?       ?       12.858  6.4164  0.000000       6.416355 
1 1 1 -29 -26 43 o 11.909  5.9157  50.918     66.002   -35.4753   135.475  77.805     75.577   ?       ?       12.369  6.1740  0.000000       6.174020 
1 1 1 -29 -26 44 o 10.242  5.1770  -16.6586   62.782   -1.9062    157.628  -19.4402   68.445   ?       ?       10.329  5.2397  0.000000       5.239677 
1 1 1 -29 -26 45 f 11.639  5.8291  57.169     70.011   177.654    154.414  25.992     78.549   ?       ?       11.019  5.5924  0.000000       5.592426 
1 1 1 -29 -25 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -25 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -25 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -25 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -25 13 o 21.480  8.2470  200.344    60.358   0.0000     0.0000   200.344    60.358   ?       ?       21.480  8.2470  0.000000       8.246972 
1 1 1 -29 -25 14 o 11.632  5.1742  26.454     29.361   0.0000     0.0000   26.454     29.361   ?       ?       11.632  5.1742  0.000000       5.174195 
1 1 1 -29 -25 15 o 12.590  6.1082  48.011     58.276   0.0000     0.0000   48.011     58.276   ?       ?       12.590  6.1082  0.000000       6.108199 
1 1 1 -29 -25 16 o 11.523  5.7858  5.7447     71.172   0.0000     0.0000   5.7447     71.172   ?       ?       11.523  5.7858  0.000000       5.785777 
1 1 1 -29 -25 17 o 12.442  6.2410  46.416     81.783   0.0000     0.0000   46.416     81.783   ?       ?       12.442  6.2410  0.000000       6.240963 
1 1 1 -29 -25 18 o 12.630  6.3383  55.634     84.829   0.0000     0.0000   55.634     84.829   ?       ?       12.630  6.3383  0.000000       6.338329 
1 1 1 -29 -25 19 o 9.0260  4.5821  -82.5786   52.982   0.0000     0.0000   -82.5786   52.982   ?       ?       9.0260  4.5821  0.000000       4.582120 
1 1 1 -29 -25 20 o 10.994  5.5022  -11.9898   61.892   -85.5687   135.446  7.4285     69.582   ?       ?       11.617  5.8170  0.000000       5.816973 
1 1 1 -29 -25 21 o 10.974  5.4785  -10.0298   59.619   -79.3464   137.756  5.9458     66.133   ?       ?       11.530  5.7581  0.000000       5.758102 
1 1 1 -29 -25 22 o 15.038  7.6160  329.543    140.542  616.224    314.306  257.899    157.125  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -25 23 o 17.872  8.9063  609.236    154.670  16.376     292.144  840.132    182.318  ?       ?       18.159  9.1361  0.000000       9.136104 
1 1 1 -29 -25 24 o 11.064  5.5479  -12.4155   64.345   11.035     119.303  -22.0350   76.411   ?       ?       11.194  5.6632  0.000000       5.663248 
1 1 1 -29 -25 25 o 9.6135  4.8879  -82.5207   62.033   -153.5630  117.220  -54.8850   73.110   ?       ?       10.560  5.3632  0.000000       5.363155 
1 1 1 -29 -25 26 o 12.324  6.0925  36.864     66.932   65.488     133.449  27.244     77.366   ?       ?       12.117  6.0771  0.000000       6.077058 
1 1 1 -29 -25 27 o 10.818  5.4496  -26.3827   66.018   -33.5613   130.624  -23.9199   76.509   ?       ?       11.162  5.6496  0.000000       5.649588 
1 1 1 -29 -25 28 o 10.358  5.2181  -38.3198   60.513   -130.8962  128.887  -12.1422   68.537   ?       ?       11.184  5.6237  0.000000       5.623692 
1 1 1 -29 -25 29 o 10.484  5.2979  -42.5107   65.318   196.967    139.356  -109.9348  73.944   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -25 30 o 14.093  6.8320  99.107     72.531   116.691    151.219  93.852     82.660   ?       ?       13.552  6.7122  0.000000       6.712243 
1 1 1 -29 -25 31 o 13.693  6.8626  121.415    97.789   161.413    167.378  100.686    120.493  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -25 32 o 16.345  8.0549  299.217    113.834  19.540     197.217  438.949    139.400  ?       ?       16.688  8.3381  0.000000       8.338117 
1 1 1 -29 -25 33 o 11.472  5.7969  -8.9417    78.157   -173.8743  161.009  41.903     89.396   ?       ?       12.428  6.2709  0.000000       6.270864 
1 1 1 -29 -25 34 o 11.043  5.5428  -14.7620   64.986   -157.8453  158.971  13.946     71.207   ?       ?       11.805  5.9073  0.000000       5.907328 
1 1 1 -29 -25 35 o 11.655  5.8027  11.554     65.028   119.199    152.422  -12.3981   71.899   ?       ?       11.267  5.6773  0.000000       5.677286 
1 1 1 -29 -25 36 o 11.616  5.7857  10.608     64.901   87.193     141.439  -9.8184    73.046   ?       ?       11.330  5.7108  0.000000       5.710752 
1 1 1 -29 -25 37 o ?       ?       -119.5051  124.080  -229.6020  402.498  -107.9435  130.432  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -25 38 o ?       ?       -23.8726   131.617  425.191    387.605  -82.3996   139.931  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -25 39 o 13.037  6.3735  65.277     66.896   12.078     126.935  85.733     78.713   ?       ?       13.293  6.5781  0.000000       6.578084 
1 1 1 -29 -25 40 o 11.633  5.7915  17.478     64.709   -3.6826    117.480  26.694     77.529   ?       ?       11.931  5.9968  0.000000       5.996789 
1 1 1 -29 -25 41 o 11.233  5.6376  1.6981     67.195   87.088     123.753  -34.0029   80.019   ?       ?       10.881  5.5341  0.000000       5.534091 
1 1 1 -29 -25 42 o 14.386  6.9374  124.330    72.452   115.798    130.906  128.098    86.990   ?       ?       13.654  6.7840  0.000000       6.784000 
1 1 1 -29 -25 43 f 10.053  5.1056  -50.6937   66.287   -330.3105  150.489  16.617     73.835   ?       ?       11.419  5.7537  0.000000       5.753733 
1 1 1 -29 -25 44 o 11.818  5.8706  41.654     64.996   -72.6819   153.811  66.508     71.713   ?       ?       12.351  6.1404  0.000000       6.140441 
1 1 1 -29 -25 45 o 11.459  5.7432  34.513     68.518   306.223    153.173  -33.4561   76.610   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -24 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -24 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -24 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -24 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -24 12 o ?       ?       -155.6000  37.115   0.0000     0.0000   -155.6000  37.115   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 13 o 8.9954  4.1407  2.0340     20.838   0.0000     0.0000   2.0340     20.838   ?       ?       8.9954  4.1407  0.000000       4.140720 
1 1 1 -29 -24 14 o 14.310  6.6674  80.054     56.543   0.0000     0.0000   80.054     56.543   ?       ?       14.310  6.6674  0.000000       6.667425 
1 1 1 -29 -24 15 o 11.646  5.7177  14.341     55.611   0.0000     0.0000   14.341     55.611   ?       ?       11.646  5.7177  0.000000       5.717749 
1 1 1 -29 -24 16 o 10.175  5.1015  -36.0843   54.296   0.0000     0.0000   -36.0843   54.296   ?       ?       10.175  5.1015  0.000000       5.101455 
1 1 1 -29 -24 17 o 12.346  6.1902  30.827     80.026   0.0000     0.0000   30.827     80.026   ?       ?       12.346  6.1902  0.000000       6.190158 
1 1 1 -29 -24 18 o 17.002  8.2401  278.665    105.341  0.0000     0.0000   278.665    105.341  ?       ?       17.002  8.2401  0.000000       8.240091 
1 1 1 -29 -24 19 o 23.362  8.7526  233.719    67.002   -107.9573  150.316  318.439    74.850   ?       ?       27.846  9.3678  0.000000       9.367771 
1 1 1 -29 -24 20 o 11.915  5.8853  18.672     61.979   37.753     127.640  12.785     70.899   ?       ?       11.885  5.9395  0.000000       5.939529 
1 1 1 -29 -24 21 o 11.475  5.7367  -1.0671    66.408   -175.3289  139.646  49.858     75.491   ?       ?       12.757  6.3351  0.000000       6.335104 
1 1 1 -29 -24 22 o ?       ?       -23.2695   123.651  699.429    295.085  -177.1956  136.184  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 23 o ?       ?       88.757     139.443  0.0000     0.0000   88.757     139.443  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 24 o 9.7502  4.9290  -62.0138   57.007   -45.3017   116.421  -67.2846   65.381   ?       ?       10.104  5.1255  0.000000       5.125517 
1 1 1 -29 -24 25 o 12.108  5.9893  25.353     65.045   186.004    135.475  -22.7752   74.151   ?       ?       11.209  5.6623  0.000000       5.662321 
1 1 1 -29 -24 26 o 10.718  5.3990  -32.7801   64.715   52.195     132.973  -59.1540   74.081   ?       ?       10.603  5.3861  0.000000       5.386125 
1 1 1 -29 -24 27 o 11.956  5.9434  18.825     67.094   74.125     130.767  -0.9345    78.166   ?       ?       11.690  5.8940  0.000000       5.893988 
1 1 1 -29 -24 28 o 11.213  5.6555  -20.1635   72.309   -189.6358  137.877  44.133     84.925   ?       ?       12.575  6.3150  0.000000       6.315005 
1 1 1 -29 -24 29 o 12.958  6.3841  56.231     71.328   -107.3862  130.681  125.658    85.126   ?       ?       14.414  7.0761  0.000000       7.076131 
1 1 1 -29 -24 30 o 12.214  6.0493  28.057     67.113   75.546     133.510  12.001     77.634   ?       ?       11.942  6.0020  0.000000       6.002002 
1 1 1 -29 -24 31 o ?       ?       -97.1396   86.699   -124.4025  152.381  -84.0895   105.427  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 32 o ?       ?       81.688     115.725  0.0000     0.0000   81.688     115.725  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 33 o 13.292  6.6062  74.721     82.752   -93.3144   169.472  127.331    94.826   ?       ?       14.116  7.0250  0.000000       7.024960 
1 1 1 -29 -24 34 o 13.386  6.5046  65.231     66.773   -81.3196   131.698  115.938    77.468   ?       ?       14.619  7.0806  0.000000       7.080559 
1 1 1 -29 -24 35 o 14.971  7.1192  113.167    70.594   40.328     129.897  143.697    84.098   ?       ?       15.084  7.3228  0.000000       7.322811 
1 1 1 -29 -24 36 o 13.132  6.3936  56.851     65.365   25.898     118.621  70.348     78.330   ?       ?       13.281  6.5703  0.000000       6.570323 
1 1 1 -29 -24 37 o ?       ?       -66.3710   124.688  -538.3135  378.010  -8.7531    132.080  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 38 o ?       ?       77.126     135.970  -37.8263   415.193  90.935     143.906  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 39 o 11.201  5.6122  -10.7652   65.249   166.219    118.160  -88.4103   78.264   13.948  7.0551  ?       ?       0.000000       7.055105 
1 1 1 -29 -24 40 o 12.092  5.9910  26.746     66.034   -21.2916   125.291  45.221     77.702   ?       ?       12.546  6.2621  0.000000       6.262113 
1 1 1 -29 -24 41 o 10.963  5.5344  -24.5304   70.121   297.996    151.152  -112.9753  79.153   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -24 42 o 30.012  10.524  485.271    94.749   371.936    186.180  524.882    110.068  ?       ?       24.731  10.510  0.000000       10.50975 
1 1 1 -29 -24 43 o 15.261  7.3551  164.920    81.137   202.405    180.003  155.363    90.894   ?       ?       14.292  7.0716  0.000000       7.071568 
1 1 1 -29 -24 44 o 11.184  5.6148  4.0826     66.891   -205.0450  172.076  41.309     72.600   ?       ?       12.039  6.0155  0.000000       6.015543 
1 1 1 -29 -24 45 o 12.617  6.2302  70.168     69.284   -17.1103   172.161  87.035     75.683   ?       ?       12.870  6.3831  0.000000       6.383056 
1 1 1 -29 -24 46 o ?       ?       56.369     96.052   57.426     225.340  56.134     106.181  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -23 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -23 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -23 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -23 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -23 11 o 10.797  4.7734  16.648     24.620   0.0000     0.0000   16.648     24.620   ?       ?       10.797  4.7734  0.000000       4.773441 
1 1 1 -29 -23 12 o 12.176  6.0231  24.178     65.796   0.0000     0.0000   24.178     65.796   ?       ?       12.176  6.0231  0.000000       6.023123 
1 1 1 -29 -23 13 o 24.288  8.2088  199.694    57.477   0.0000     0.0000   199.694    57.477   ?       ?       24.288  8.2088  0.000000       8.208806 
1 1 1 -29 -23 14 o 12.639  6.0809  37.392     54.858   0.0000     0.0000   37.392     54.858   ?       ?       12.639  6.0809  0.000000       6.080894 
1 1 1 -29 -23 15 o 13.169  6.3486  51.804     60.562   0.0000     0.0000   51.804     60.562   ?       ?       13.169  6.3486  0.000000       6.348642 
1 1 1 -29 -23 16 o 17.266  7.8746  165.088    73.062   0.0000     0.0000   165.088    73.062   ?       ?       17.266  7.8746  0.000000       7.874623 
1 1 1 -29 -23 17 o 11.142  5.6359  -36.2987   75.433   0.0000     0.0000   -36.2987   75.433   ?       ?       11.142  5.6359  0.000000       5.635894 
1 1 1 -29 -23 18 o 12.211  6.0870  21.244     72.433   -39.7612   155.616  38.116     81.839   ?       ?       12.621  6.3183  0.000000       6.318323 
1 1 1 -29 -23 19 o 16.507  7.4508  127.405    63.373   139.068    140.274  124.413    71.036   ?       ?       15.516  7.3070  0.000000       7.307007 
1 1 1 -29 -23 20 o 12.532  6.1395  35.577     63.057   101.912    122.389  11.605     73.573   ?       ?       11.990  6.0004  0.000000       6.000429 
1 1 1 -29 -23 21 o 11.916  5.8801  15.890     61.335   33.059     120.533  9.8908     71.249   ?       ?       11.920  5.9564  0.000000       5.956432 
1 1 1 -29 -23 22 o ?       ?       -137.6971  116.547  -365.4840  274.203  -87.4720   128.756  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 23 o ?       ?       -104.8338  117.827  128.088    284.569  -153.0283  129.444  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 24 o 12.128  5.9977  21.839     65.058   54.612     142.362  13.189     73.142   ?       ?       12.011  6.0072  0.000000       6.007160 
1 1 1 -29 -23 25 o 12.412  6.1355  31.407     67.831   16.066     132.469  36.859     78.969   ?       ?       12.566  6.2781  0.000000       6.278069 
1 1 1 -29 -23 26 o 12.409  6.1759  30.413     73.339   42.156     135.394  25.537     87.247   ?       ?       12.372  6.2367  0.000000       6.236660 
1 1 1 -29 -23 27 o 14.308  6.9141  96.505     72.878   227.365    130.075  36.631     87.985   14.618  7.3949  12.571  6.3273  2.046895       9.732385 
1 1 1 -29 -23 28 o 12.010  6.0008  13.390     72.196   36.380     132.112  3.6008     86.207   ?       ?       12.001  6.0664  0.000000       6.066392 
1 1 1 -29 -23 29 o 10.676  5.3538  -29.9975   59.995   12.141     127.151  -42.0656   68.045   ?       ?       10.759  5.4338  0.000000       5.433758 
1 1 1 -29 -23 30 o 10.662  5.3548  -33.1146   61.174   10.389     130.154  -45.4502   69.307   ?       ?       10.751  5.4349  0.000000       5.434945 
1 1 1 -29 -23 31 o ?       ?       -38.9296   93.080   -50.0908   161.705  -33.3989   113.830  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 32 o ?       ?       -65.1036   106.411  0.0000     0.0000   -65.1036   106.411  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 33 o 16.360  7.7535  171.689    82.379   330.185    186.025  133.025    91.878   ?       ?       14.531  7.1753  0.000000       7.175330 
1 1 1 -29 -23 34 o 13.673  6.6005  68.889     66.015   50.563     118.262  77.184     79.565   ?       ?       13.576  6.6985  0.000000       6.698474 
1 1 1 -29 -23 35 o 10.844  5.4331  -26.6600   61.103   -15.6810   108.727  -31.7281   73.872   ?       ?       11.197  5.6557  0.000000       5.655686 
1 1 1 -29 -23 36 f 13.582  6.6257  69.012     71.194   23.506     127.151  89.794     85.925   ?       ?       13.783  6.8297  0.000000       6.829694 
1 1 1 -29 -23 37 o ?       ?       115.206    137.290  33.933     414.132  125.241    145.519  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 38 o ?       ?       -182.0019  122.786  -336.1921  373.653  -163.3360  130.006  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 39 o 14.015  6.7722  82.286     69.896   2.6222     136.375  110.667    81.400   ?       ?       14.429  7.0489  0.000000       7.048892 
1 1 1 -29 -23 40 o 12.181  6.0918  19.496     75.211   261.037    167.560  -41.4467   84.165   ?       ?       11.274  5.7283  0.000000       5.728331 
1 1 1 -29 -23 41 o 11.595  5.8184  -2.7338    71.436   -51.0010   178.861  6.4268     77.920   ?       ?       11.888  5.9800  0.000000       5.979961 
1 1 1 -29 -23 42 o 14.146  6.9291  108.541    80.230   74.179     186.884  116.304    88.833   ?       ?       13.998  6.9379  0.000000       6.937860 
1 1 1 -29 -23 43 o 11.435  5.7711  -7.4080    75.967   261.156    185.262  -61.6933   83.292   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 44 o 11.515  5.7764  7.5726     70.092   121.621    180.959  -12.5587   76.027   ?       ?       11.235  5.6807  0.000000       5.680714 
1 1 1 -29 -23 45 o 10.390  5.2574  -38.1199   66.041   134.442    174.224  -67.0745   71.367   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -23 46 o ?       ?       47.687     103.923  -57.1849   242.728  71.226     114.997  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -22 10 o 10.259  2.2353  14.430     5.4069   0.0000     0.0000   14.430     5.4069   ?       ?       10.259  2.2353  0.000000       2.235325 
1 1 1 -29 -22 11 o 9.3422  4.3210  1.3715     23.089   0.0000     0.0000   1.3715     23.089   ?       ?       9.3422  4.3210  0.000000       4.321006 
1 1 1 -29 -22 12 o 10.150  4.6794  6.5027     26.755   0.0000     0.0000   6.5027     26.755   ?       ?       10.150  4.6794  0.000000       4.679399 
1 1 1 -29 -22 13 o 18.524  7.7390  138.424    58.082   0.0000     0.0000   138.424    58.082   ?       ?       18.524  7.7390  0.000000       7.738966 
1 1 1 -29 -22 14 o 13.869  6.5803  64.487     59.656   0.0000     0.0000   64.487     59.656   ?       ?       13.869  6.5803  0.000000       6.580303 
1 1 1 -29 -22 15 o 11.288  5.5743  -4.0862    55.499   0.0000     0.0000   -4.0862    55.499   ?       ?       11.288  5.5743  0.000000       5.574336 
1 1 1 -29 -22 16 o 13.412  6.4785  56.992     63.831   0.0000     0.0000   56.992     63.831   ?       ?       13.412  6.4785  0.000000       6.478482 
1 1 1 -29 -22 17 o 11.635  5.8116  -4.1335    67.495   26.034     146.037  -12.3280   76.112   ?       ?       11.669  5.8750  0.000000       5.875034 
1 1 1 -29 -22 18 o 13.371  6.4629  56.289     63.769   69.738     159.207  53.719     69.596   ?       ?       13.196  6.4614  0.000000       6.461436 
1 1 1 -29 -22 19 o 10.244  5.1372  -40.9787   55.198   -101.8947  108.851  -19.8915   64.044   ?       ?       11.155  5.5851  0.000000       5.585057 
1 1 1 -29 -22 20 o 13.864  6.6659  71.176     65.655   52.323     122.096  78.845     77.872   ?       ?       13.760  6.7576  0.000000       6.757572 
1 1 1 -29 -22 21 o 12.858  6.2656  41.678     63.179   -54.4202   127.043  73.254     72.823   ?       ?       13.725  6.6968  0.000000       6.696785 
1 1 1 -29 -22 22 o ?       ?       -216.7263  116.333  -62.5466   275.341  -250.2301  128.352  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 23 o ?       ?       27.048     130.931  92.455     296.137  11.156     145.973  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 24 o 14.830  7.1089  106.596    73.422   91.084     149.466  111.530    84.294   ?       ?       14.451  7.0834  0.000000       7.083400 
1 1 1 -29 -22 25 o 14.599  7.0729  106.040    77.424   -33.0246   160.155  148.451    88.446   ?       ?       15.275  7.4368  0.000000       7.436803 
1 1 1 -29 -22 26 o 14.330  6.9697  97.106     77.165   136.420    159.366  85.066     88.192   ?       ?       13.689  6.8062  0.000000       6.806173 
1 1 1 -29 -22 27 o 12.716  6.2942  37.131     72.278   108.868    130.204  5.1786     86.896   ?       ?       12.162  6.1419  0.000000       6.141928 
1 1 1 -29 -22 28 o 9.8307  4.9750  -71.8485   59.229   175.390    121.121  -149.5510  67.901   14.425  7.2807  ?       ?       0.000000       7.280657 
1 1 1 -29 -22 29 o 14.017  6.7311  75.631     66.485   -114.3233  141.085  129.854    75.379   ?       ?       15.587  7.3959  0.000000       7.395944 
1 1 1 -29 -22 30 o 12.453  6.1391  28.077     66.321   -20.0874   131.895  44.376     76.726   ?       ?       12.897  6.4016  0.000000       6.401626 
1 1 1 -29 -22 31 o 11.504  5.8462  -39.7234   87.986   -60.1074   151.608  -29.3711   108.042  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 32 o 12.031  6.1180  -13.7092   97.464   88.644     163.498  -70.1315   121.391  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 33 o 13.578  6.6331  66.702     72.071   -13.1520   176.270  82.731     78.974   ?       ?       13.879  6.8139  0.000000       6.813853 
1 1 1 -29 -22 34 o 20.465  8.5309  203.394    70.357   253.594    125.215  180.232    85.053   15.504  7.7693  16.658  7.8902  -1.154473      11.07331 
1 1 1 -29 -22 35 o 12.823  6.2056  38.789     59.212   67.632     108.176  26.451     70.753   13.201  6.6854  12.477  6.1854  0.7238588      9.107902 
1 1 1 -29 -22 36 o 11.809  5.8384  6.3344     61.534   40.210     117.812  -6.3740    72.159   ?       ?       11.750  5.8898  0.000000       5.889795 
1 1 1 -29 -22 37 o ?       ?       -237.7708  91.131   -299.3357  217.797  -224.7046  100.337  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 38 o ?       ?       -9.4046    118.755  156.399    312.442  -37.4023   128.391  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 39 o 13.903  6.8050  79.292     76.962   -51.9534   173.472  111.457    85.877   ?       ?       14.502  7.1169  0.000000       7.116936 
1 1 1 -29 -22 40 o 13.296  6.5235  56.208     72.045   -267.9762  173.604  123.656    79.186   ?       ?       15.165  7.2984  0.000000       7.298437 
1 1 1 -29 -22 41 o ?       ?       -196.2098  66.079   -174.4043  172.331  -199.9685  71.548   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 42 o 16.254  7.7329  170.535    83.451   382.690    192.668  121.542    92.586   ?       ?       14.274  7.0760  0.000000       7.076001 
1 1 1 -29 -22 43 o 12.523  6.2439  36.362     76.423   -45.8454   186.240  53.007     83.803   ?       ?       12.858  6.4307  0.000000       6.430674 
1 1 1 -29 -22 44 o 9.7474  4.9500  -77.6550   62.201   -201.8291  173.679  -59.3848   66.620   ?       ?       10.282  5.2110  0.000000       5.210999 
1 1 1 -29 -22 45 o 10.915  5.5040  -22.5679   68.330   -220.2494  186.431  8.1083     73.440   ?       ?       11.630  5.8444  0.000000       5.844443 
1 1 1 -29 -22 46 o 13.739  6.9441  178.493    112.717  354.368    257.285  136.719    125.390  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -22 47 o ?       ?       -49.9233   97.257   232.895    228.068  -112.7859  107.524  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -21 10 o 9.0615  4.0069  5.5930     17.356   0.0000     0.0000   5.5930     17.356   ?       ?       9.0615  4.0069  0.000000       4.006867 
1 1 1 -29 -21 11 o 10.834  5.3586  -17.0751   52.003   0.0000     0.0000   -17.0751   52.003   ?       ?       10.834  5.3586  0.000000       5.358555 
1 1 1 -29 -21 12 o 13.399  6.1240  44.435     44.482   0.0000     0.0000   44.435     44.482   ?       ?       13.399  6.1240  0.000000       6.123954 
1 1 1 -29 -21 13 o 10.910  5.3700  -11.0557   50.082   0.0000     0.0000   -11.0557   50.082   ?       ?       10.910  5.3700  0.000000       5.370045 
1 1 1 -29 -21 14 f 11.587  5.6904  3.0832     55.239   0.0000     0.0000   3.0832     55.239   ?       ?       11.587  5.6904  0.000000       5.690413 
1 1 1 -29 -21 15 o 9.4750  4.7680  -60.6558   49.797   0.0000     0.0000   -60.6558   49.797   ?       ?       9.4750  4.7680  0.000000       4.767961 
1 1 1 -29 -21 16 o 12.835  6.1401  36.934     54.158   -26.8276   115.152  55.044     61.368   ?       ?       13.509  6.4818  0.000000       6.481808 
1 1 1 -29 -21 17 o 12.216  6.0734  13.452     70.179   -39.1644   149.969  28.205     79.410   ?       ?       12.651  6.3170  0.000000       6.317005 
1 1 1 -29 -21 18 f 10.590  5.3118  -38.8302   59.205   -61.5653   121.613  -31.7680   67.780   ?       ?       11.125  5.5937  0.000000       5.593702 
1 1 1 -29 -21 19 o 16.011  7.3526  114.386    65.175   247.002    126.144  66.092     76.123   15.533  7.7861  13.605  6.6815  1.927519       10.25992 
1 1 1 -29 -21 20 o 14.497  6.8458  79.909     63.135   176.759    125.197  46.881     73.112   14.527  7.3406  13.107  6.4584  1.420570       9.777312 
1 1 1 -29 -21 21 o 12.962  6.5132  42.099     91.113   -25.1158   131.027  105.030    126.783  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 22 o ?       ?       -85.0996   120.645  -525.7434  279.553  15.752     133.740  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 23 o 14.739  7.4801  225.308    140.533  -60.8155   310.576  298.974    157.589  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 24 o 15.506  7.3695  121.817    75.434   11.299     142.637  164.730    88.881   ?       ?       16.000  7.7081  0.000000       7.708148 
1 1 1 -29 -21 25 o 14.691  7.0762  98.569     74.827   -35.2786   141.543  150.485    88.152   ?       ?       15.612  7.5593  0.000000       7.559276 
1 1 1 -29 -21 26 o 13.932  6.8322  78.614     78.719   -77.3117   141.750  148.145    94.657   ?       ?       15.170  7.4501  0.000000       7.450109 
1 1 1 -29 -21 27 o 14.911  7.0746  96.232     68.949   55.701     142.281  108.671    78.823   ?       ?       14.838  7.1753  0.000000       7.175311 
1 1 1 -29 -21 28 o 14.171  6.7779  74.440     65.912   -18.6625   132.493  105.059    75.981   ?       ?       14.856  7.1494  0.000000       7.149406 
1 1 1 -29 -21 29 o 15.112  7.1507  102.191    69.518   52.857     137.850  119.016    80.505   ?       ?       15.077  7.2810  0.000000       7.281027 
1 1 1 -29 -21 30 o 14.176  6.8236  77.965     69.297   266.388    132.196  6.5723     81.373   15.573  7.8277  12.245  6.1534  3.327441       9.956738 
1 1 1 -29 -21 31 o ?       ?       -45.9171   92.020   -1.7831    161.750  -67.0361   111.891  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 32 o 12.142  6.1396  -5.6799    88.795   62.098     159.778  -35.9669   106.807  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 33 o 12.907  6.3200  38.687     66.565   -113.3569  168.346  66.863     72.471   ?       ?       13.722  6.6919  0.000000       6.691921 
1 1 1 -29 -21 34 o 9.8032  4.9575  -73.3193   58.080   -23.3517   132.589  -85.1840   64.609   ?       ?       9.9884  5.0696  0.000000       5.069622 
1 1 1 -29 -21 35 o 11.791  5.8342  2.6828     61.855   -22.7385   136.137  9.2960     69.435   ?       ?       12.137  6.0353  0.000000       6.035340 
1 1 1 -29 -21 36 o 12.829  6.2813  35.277     65.720   207.146    145.182  -9.0181    73.704   ?       ?       11.820  5.9287  0.000000       5.928679 
1 1 1 -29 -21 37 o 11.968  6.0848  -29.6939   96.100   -66.5766   284.041  -24.9263   102.122  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 38 o 16.410  8.1073  257.892    117.841  -28.2042   309.370  306.446    127.449  ?       ?       16.698  8.2820  0.000000       8.281954 
1 1 1 -29 -21 39 o 11.636  5.8243  -14.1796   69.457   317.476    172.396  -78.4456   75.888   ?       ?       10.701  5.4374  0.000000       5.437417 
1 1 1 -29 -21 40 o 11.654  5.8334  -12.9211   69.662   -95.3009   178.102  1.9585     75.693   ?       ?       12.120  6.0687  0.000000       6.068747 
1 1 1 -29 -21 41 o 12.955  6.3847  39.569     71.548   141.008    176.815  19.707     78.239   ?       ?       12.504  6.2473  0.000000       6.247253 
1 1 1 -29 -21 42 o 12.805  6.3204  36.539     71.025   104.935    178.155  23.614     77.446   ?       ?       12.519  6.2489  0.000000       6.248866 
1 1 1 -29 -21 43 o 14.272  6.9800  98.600     80.468   248.068    193.373  67.297     88.495   ?       ?       13.330  6.6580  0.000000       6.657983 
1 1 1 -29 -21 44 o 14.228  6.9966  108.409    84.352   349.617    204.328  58.856     92.612   ?       ?       12.994  6.5342  0.000000       6.534207 
1 1 1 -29 -21 45 f 12.373  6.2230  32.304     84.207   51.278     326.382  30.951     87.158   ?       ?       12.356  6.2293  0.000000       6.229311 
1 1 1 -29 -21 46 o 12.705  6.4433  70.067     102.932  21.380     235.639  81.548     114.426  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -21 47 o 12.669  6.4066  81.125     96.971   46.044     212.048  90.402     109.042  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -20 10 o 16.771  6.3344  70.408     35.243   0.0000     0.0000   70.408     35.243   ?       ?       16.771  6.3344  0.000000       6.334411 
1 1 1 -29 -20 11 o 9.5358  4.7904  -58.6196   49.105   0.0000     0.0000   -58.6196   49.105   ?       ?       9.5358  4.7904  0.000000       4.790354 
1 1 1 -29 -20 12 o 8.7677  4.3747  -47.4146   37.793   0.0000     0.0000   -47.4146   37.793   ?       ?       8.7677  4.3747  0.000000       4.374674 
1 1 1 -29 -20 13 o 11.172  5.4844  -6.8162    51.144   0.0000     0.0000   -6.8162    51.144   ?       ?       11.172  5.4844  0.000000       5.484364 
1 1 1 -29 -20 14 o 10.937  5.4064  -16.0533   52.654   0.0000     0.0000   -16.0533   52.654   ?       ?       10.937  5.4064  0.000000       5.406412 
1 1 1 -29 -20 15 o 11.903  5.7756  12.369     52.149   13.627     115.515  12.047     58.443   ?       ?       12.056  5.9072  0.000000       5.907225 
1 1 1 -29 -20 16 o 11.491  5.7212  -12.5653   63.217   -59.5069   108.067  11.854     77.944   ?       ?       12.409  6.2054  0.000000       6.205363 
1 1 1 -29 -20 17 o 14.820  7.1274  98.421     75.191   150.361    135.686  75.402     90.329   14.175  7.2090  13.767  6.8521  0.4071827      9.945864 
1 1 1 -29 -20 18 o 13.696  6.5135  54.790     59.115   40.147     117.299  59.775     68.442   ?       ?       13.707  6.6429  0.000000       6.642913 
1 1 1 -29 -20 19 f 13.965  6.5900  60.061     58.311   120.520    122.505  42.351     66.304   14.052  7.1163  13.156  6.4126  0.8963881      9.579269 
1 1 1 -29 -20 20 o 11.954  5.8949  5.6173     61.306   -73.1586   143.650  23.160     67.789   ?       ?       12.585  6.2047  0.000000       6.204736 
1 1 1 -29 -20 21 o ?       ?       -116.2614  85.700   -164.7132  118.789  -63.6710   123.759  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -20 22 o ?       ?       -42.4815   115.511  -129.7672  261.617  -21.3452   128.739  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -20 23 o 13.717  6.7650  65.115     80.803   109.068    283.025  61.214     84.313   ?       ?       13.580  6.7355  0.000000       6.735488 
1 1 1 -29 -20 24 o 10.479  5.2971  -65.7901   65.726   -14.5043   120.904  -87.3048   78.308   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -20 25 o 11.441  5.7486  -28.3347   70.911   146.967    131.465  -100.2661  84.212   14.282  7.2468  ?       ?       0.000000       7.246810 
1 1 1 -29 -20 26 o 11.703  5.8463  -12.5351   68.416   -119.7152  135.289  24.293     79.305   ?       ?       12.746  6.3561  0.000000       6.356069 
1 1 1 -29 -20 27 o 13.133  6.4460  40.948     70.563   137.363    136.060  5.4759     82.529   ?       ?       12.392  6.2231  0.000000       6.223128 
1 1 1 -29 -20 28 o 11.508  5.7440  -16.3369   65.408   -60.7596   153.766  -6.5234    72.272   ?       ?       11.940  5.9715  0.000000       5.971461 
1 1 1 -29 -20 29 o 11.755  5.8384  -4.8035    64.231   -25.7589   158.516  -0.6870    70.257   ?       ?       12.020  5.9921  0.000000       5.992130 
1 1 1 -29 -20 30 o 11.296  5.6269  -18.4758   61.455   25.345     126.263  -32.0795   70.350   ?       ?       11.330  5.6968  0.000000       5.696782 
1 1 1 -29 -20 31 o 13.108  6.5425  41.332     84.829   -62.3250   161.473  80.845     99.694   ?       ?       13.776  6.9076  0.000000       6.907570 
1 1 1 -29 -20 32 o 12.261  6.1978  -6.8263    89.919   -83.4889   169.502  23.197     106.075  ?       ?       12.856  6.5219  0.000000       6.521892 
1 1 1 -29 -20 33 o 12.007  5.9570  3.4048     66.147   -27.7631   165.687  9.3144     72.146   ?       ?       12.280  6.1136  0.000000       6.113550 
1 1 1 -29 -20 34 o 17.887  7.8922  146.535    66.976   -74.0044   146.451  204.860    75.314   ?       ?       19.990  8.5990  0.000000       8.598961 
1 1 1 -29 -20 35 o 12.263  6.0428  14.122     64.023   -68.8886   139.475  36.283     72.064   ?       ?       12.974  6.3967  0.000000       6.396676 
1 1 1 -29 -20 36 o ?       ?       -111.3475  59.291   -313.9742  164.516  -81.1001   63.563   ?       ?       10.072  5.1030  0.000000       5.102988 
1 1 1 -29 -20 37 o 12.949  6.5508  28.592     102.040  5.5152     308.223  31.433     108.138  ?       ?       13.008  6.5978  0.000000       6.597785 
1 1 1 -29 -20 38 f ?       ?       -112.9173  92.525   -263.3336  279.891  -94.4631   98.037   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -20 39 o 20.164  8.6886  210.666    77.158   253.990    183.057  201.306    85.086   ?       ?       18.233  8.3832  0.000000       8.383244 
1 1 1 -29 -20 40 o 12.535  6.2030  18.071     70.030   -3.4144    178.780  21.965     76.112   ?       ?       12.705  6.3180  0.000000       6.318023 
1 1 1 -29 -20 41 o 12.776  5.9666  32.375     45.696   64.551     56.426   -28.9430   77.894   14.306  6.6640  11.663  5.8808  2.643276       8.887835 
1 1 1 -29 -20 42 o 16.876  7.0874  94.273     49.105   95.186     62.172   92.757     80.062   15.491  7.1388  14.461  7.0483  1.030033       10.03205 
1 1 1 -29 -20 43 o 13.954  6.3835  55.225     48.480   42.199     59.169   81.831     84.563   13.096  6.3041  13.934  6.8811  -0.8385887     9.332229 
1 1 1 -29 -20 44 o 10.832  5.2839  -4.8363    45.263   -0.8716    54.576   -13.5721   81.012   11.392  5.6068  11.819  5.9642  -0.4275150     8.185800 
1 1 1 -29 -20 45 o 13.089  6.1203  44.603     48.316   60.665     59.887   14.654     81.774   13.566  6.4806  12.215  6.1422  1.350535       8.928838 
1 1 1 -29 -20 46 o 10.286  5.1141  -22.8983   49.808   17.212     56.085   -172.6091  108.355  11.780  5.7750  ?       ?       0.000000       5.774989 
1 1 1 -29 -20 47 o 11.434  5.5860  14.892     51.140   -10.2294   57.080   117.100    115.135  10.832  5.4001  13.138  6.6780  -2.306231      8.588197 
1 1 1 -29 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -19 9  o 14.719  5.6865  46.853     28.828   0.0000     0.0000   46.853     28.828   ?       ?       14.719  5.6865  0.000000       5.686507 
1 1 1 -29 -19 10 o ?       ?       -461.3809  8.4219   0.0000     0.0000   -461.3809  8.4219   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -19 11 o 14.715  6.5164  61.403     46.071   0.0000     0.0000   61.403     46.071   ?       ?       14.715  6.5164  0.000000       6.516402 
1 1 1 -29 -19 12 o 9.7823  4.8367  -31.3507   42.235   0.0000     0.0000   -31.3507   42.235   ?       ?       9.7823  4.8367  0.000000       4.836682 
1 1 1 -29 -19 13 o 11.569  5.6150  4.1199     49.378   -384.9034  205.234  28.022     50.872   ?       ?       12.638  6.0195  0.000000       6.019450 
1 1 1 -29 -19 14 o 39.013  7.7736  376.425    71.003   826.873    143.971  231.653    81.620   31.837  12.587  20.509  8.8865  11.32740       15.40811 
1 1 1 -29 -19 15 o 14.134  6.6009  59.509     55.941   77.913     115.275  53.839     63.980   13.712  6.9394  13.698  6.5847  0.1354218E-01  9.566296 
1 1 1 -29 -19 16 o 11.188  5.6053  -32.2517   65.002   -26.0619   115.224  -35.1412   78.725   ?       ?       11.633  5.8713  0.000000       5.871286 
1 1 1 -29 -19 17 o 14.689  7.0391  84.992     71.860   101.196    140.895  79.295     83.542   ?       ?       14.171  6.9676  0.000000       6.967597 
1 1 1 -29 -19 18 o 10.844  5.3693  -22.5661   52.734   24.851     107.749  -37.5011   60.472   13.046  6.6138  10.866  5.4386  2.179781       8.562726 
1 1 1 -29 -19 19 o 10.283  5.1794  -61.0852   59.469   51.524     120.901  -97.0271   68.303   13.416  6.8214  10.152  5.1584  3.264014       8.552235 
1 1 1 -29 -19 20 o 16.088  7.5017  117.533    71.800   34.089     147.853  143.284    82.135   ?       ?       16.326  7.7388  0.000000       7.738778 
1 1 1 -29 -19 21 o ?       ?       -78.3177   108.236  -273.5909  218.774  -15.0313   124.546  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -19 22 o ?       ?       -77.9376   109.067  -29.0517   224.602  -93.0227   124.766  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -19 23 o 12.196  6.0774  -1.3712    71.945   34.380     130.086  -17.1248   86.353   ?       ?       12.208  6.1599  0.000000       6.159941 
1 1 1 -29 -19 24 o 10.495  5.3086  -73.6638   66.907   -224.5954  126.894  -15.5459   78.742   ?       ?       12.063  6.0609  0.000000       6.060887 
1 1 1 -29 -19 25 o 12.696  6.2675  19.748     69.932   -53.8881   134.833  46.845     81.793   ?       ?       13.454  6.6660  0.000000       6.666021 
1 1 1 -29 -19 26 f 11.513  5.7698  -27.4180   69.088   -168.6580  136.575  21.154     80.092   ?       ?       12.847  6.4032  0.000000       6.403186 
1 1 1 -29 -19 27 o 14.711  7.0182  81.480     69.754   81.304     138.394  81.540     80.763   ?       ?       14.368  7.0197  0.000000       7.019716 
1 1 1 -29 -19 28 o 14.320  6.8894  72.082     70.415   -48.5386   145.388  109.046    80.484   ?       ?       15.220  7.3330  0.000000       7.333022 
1 1 1 -29 -19 29 o 13.259  6.4808  40.324     69.084   30.822     144.485  43.140     78.658   ?       ?       13.331  6.5929  0.000000       6.592904 
1 1 1 -29 -19 30 o 12.464  6.1084  17.259     62.595   -106.3983  134.686  51.326     70.694   ?       ?       13.587  6.6224  0.000000       6.622367 
1 1 1 -29 -19 31 o 11.652  5.8905  -40.0970   81.470   -328.9873  164.387  53.961     93.800   ?       ?       13.502  6.7600  0.000000       6.760005 
1 1 1 -29 -19 32 o 14.606  7.2345  109.774    96.073   101.638    183.940  112.826    112.661  ?       ?       14.292  7.1895  0.000000       7.189512 
1 1 1 -29 -19 33 o 13.884  6.6914  59.719     67.139   76.216     138.259  54.629     76.802   ?       ?       13.595  6.6836  0.000000       6.683597 
1 1 1 -29 -19 34 o 12.279  6.0586  10.464     65.097   34.962     141.767  3.9183     73.280   ?       ?       12.281  6.1220  0.000000       6.121996 
1 1 1 -29 -19 35 o 10.922  5.4657  -35.5476   60.962   -237.0868  168.118  -5.0353    65.414   ?       ?       11.865  5.8928  0.000000       5.892760 
1 1 1 -29 -19 36 o 12.051  5.9701  1.7308     65.526   20.235     160.995  -1.9431    71.737   ?       ?       12.116  6.0422  0.000000       6.042221 
1 1 1 -29 -19 37 o 13.669  6.8780  66.730     103.557  -134.0591  308.335  92.258     109.943  ?       ?       14.018  7.0580  0.000000       7.057982 
1 1 1 -29 -19 38 o 13.246  6.6685  39.178     98.015   97.470     294.272  31.904     103.950  ?       ?       13.145  6.6462  0.000000       6.646167 
1 1 1 -29 -19 39 o 27.270  8.0896  210.212    57.380   179.171    76.841   249.340    86.271   18.622  8.3206  20.759  9.0639  -2.137384      12.30397 
1 1 1 -29 -19 40 o 26.526  8.2783  210.231    59.085   120.834    76.893   339.118    92.327   15.896  7.5212  24.787  9.9857  -8.891496      12.50136 
1 1 1 -29 -19 41 f 13.162  6.1677  37.183     49.534   33.037     62.864   43.973     80.446   13.019  6.3228  13.368  6.6210  -0.3482246     9.155108 
1 1 1 -29 -19 42 o 9.8331  4.8690  -33.4157   43.394   -10.9225   54.223   -73.4819   72.368   11.283  5.5602  10.742  5.4428  0.5416641      7.780743 
1 1 1 -29 -19 43 f 16.076  7.0795  90.115     53.642   119.478    67.696   40.566     87.939   16.385  7.5131  13.165  6.5846  3.219994       9.990178 
1 1 1 -29 -19 44 o 9.9132  4.8795  -23.9928   41.364   7.3249     47.834   -116.8483  82.365   11.549  5.5862  ?       ?       0.000000       5.586177 
1 1 1 -29 -19 45 o 10.828  5.3236  -10.4851   48.776   3.8717     59.786   -39.0636   84.351   11.723  5.7886  11.503  5.8338  0.2198524      8.218307 
1 1 1 -29 -19 46 o 9.5128  4.7578  -43.7328   45.913   -41.2921   50.354   -55.7677   111.815  9.9029  4.9573  ?       ?       0.000000       4.957302 
1 1 1 -29 -19 47 o 11.434  5.5741  11.913     50.157   29.783     55.515   -67.4933   117.023  12.183  5.9223  ?       ?       0.000000       5.922270 
1 1 1 -29 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -18 9  o 9.1407  4.1237  2.9027     19.384   0.0000     0.0000   2.9027     19.384   ?       ?       9.1407  4.1237  0.000000       4.123734 
1 1 1 -29 -18 10 o 11.370  5.5840  -8.2823    53.204   0.0000     0.0000   -8.2823    53.204   ?       ?       11.370  5.5840  0.000000       5.583998 
1 1 1 -29 -18 11 f 11.759  5.5445  13.924     41.124   0.0000     0.0000   13.924     41.124   ?       ?       11.759  5.5445  0.000000       5.544500 
1 1 1 -29 -18 12 o 25.009  8.4690  204.559    61.179   879.665    210.238  142.101    63.947   18.913  9.5518  18.531  7.9460  0.3824615      12.42477 
1 1 1 -29 -18 13 o 13.978  6.4404  51.431     50.570   -38.4758   113.649  73.628     56.469   ?       ?       15.011  6.8751  0.000000       6.875060 
1 1 1 -29 -18 14 o 8.3576  4.2370  -93.4525   44.241   -101.6347  88.059   -90.6899   51.168   ?       ?       9.0821  4.5992  0.000000       4.599242 
1 1 1 -29 -18 15 o 13.865  6.4672  49.978     53.426   65.270     107.564  44.969     61.556   13.762  6.9358  13.537  6.4942  0.2254915      9.501541 
1 1 1 -29 -18 16 o 16.337  7.6083  122.317    73.476   102.959    144.672  129.046    85.295   ?       ?       15.781  7.5900  0.000000       7.589976 
1 1 1 -29 -18 17 o 16.070  7.2831  96.375     61.271   34.641     144.371  109.937    67.668   ?       ?       16.263  7.4771  0.000000       7.477097 
1 1 1 -29 -18 18 o 10.445  5.2132  -42.5105   53.866   16.388     104.916  -63.5939   62.771   13.099  6.6284  10.517  5.3002  2.582172       8.486913 
1 1 1 -29 -18 19 o 15.672  7.2654  94.033     65.830   39.521     119.410  117.835    78.904   13.488  6.8502  15.873  7.5418  -2.384991      10.18845 
1 1 1 -29 -18 20 o 18.291  8.0957  151.456    71.012   254.698    129.572  107.134    84.897   16.478  8.2021  15.234  7.3868  1.243822       11.03803 
1 1 1 -29 -18 21 o 15.442  7.7143  169.476    119.110  160.210    231.769  172.802    138.848  ?       ?       14.972  7.5815  0.000000       7.581542 
1 1 1 -29 -18 22 o 16.620  8.1980  228.839    118.848  468.569    252.701  160.752    134.671  ?       ?       14.922  7.5462  0.000000       7.546232 
1 1 1 -29 -18 23 o 15.607  7.3370  98.051     71.044   184.045    131.846  62.866     84.335   15.312  7.7122  14.051  6.9260  1.261651       10.36567 
1 1 1 -29 -18 24 o 13.686  6.6676  46.642     71.410   -2.0436    134.076  65.922     84.372   ?       ?       14.130  6.9577  0.000000       6.957670 
1 1 1 -29 -18 25 o 13.605  6.5770  43.813     66.096   -131.2022  136.046  97.888     75.621   ?       ?       15.360  7.3222  0.000000       7.322154 
1 1 1 -29 -18 26 f 15.734  7.3957  102.906    72.148   94.110     147.370  105.678    82.743   ?       ?       15.303  7.3880  0.000000       7.387961 
1 1 1 -29 -18 27 o 13.755  6.6779  49.405     69.957   -13.1007   159.752  64.236     77.815   ?       ?       14.137  6.9030  0.000000       6.902995 
1 1 1 -29 -18 28 o 13.140  6.4526  30.152     70.961   67.022     141.958  17.870     81.933   ?       ?       12.942  6.4548  0.000000       6.454761 
1 1 1 -29 -18 29 o 13.115  6.4376  30.166     70.397   -116.7551  146.086  74.603     80.341   ?       ?       14.352  7.0093  0.000000       7.009279 
1 1 1 -29 -18 30 o 12.526  6.2138  8.5812     71.853   51.899     147.423  -4.9150    82.288   ?       ?       12.437  6.2418  0.000000       6.241771 
1 1 1 -29 -18 31 o 14.475  7.1731  93.212     94.852   81.970     180.348  97.510     111.522  ?       ?       14.273  7.1764  0.000000       7.176407 
1 1 1 -29 -18 32 o 15.362  7.5220  130.203    94.322   125.421    178.931  132.044    110.995  ?       ?       14.850  7.4226  0.000000       7.422586 
1 1 1 -29 -18 33 o 10.628  5.2491  -24.5378   49.271   -33.1189   69.676   -15.9546   69.684   11.455  5.7480  11.835  5.9107  -0.3803806     8.244756 
1 1 1 -29 -18 34 o 16.946  7.0878  90.417     48.799   103.367    63.771   72.121     75.802   16.170  7.3678  14.270  6.9330  1.900489       10.11683 
1 1 1 -29 -18 35 o 10.401  5.1033  -20.1969   44.110   23.173     56.131   -90.2261   71.326   12.625  6.0927  10.469  5.3147  2.156381       8.084999 
1 1 1 -29 -18 36 o 15.021  6.6652  65.810     48.431   101.845    61.382   6.3795     78.828   16.296  7.3463  12.546  6.2686  3.750566       9.657289 
1 1 1 -29 -18 37 o 12.720  6.4458  -2.6568    101.619  230.699    288.018  -35.8356   108.603  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -18 38 o 15.626  7.7433  172.246    110.475  472.661    325.830  133.224    117.431  ?       ?       14.700  7.3876  0.000000       7.387643 
1 1 1 -29 -18 39 o 13.268  6.1726  37.457     48.165   22.520     62.022   60.152     76.450   12.739  6.2077  13.940  6.8146  -1.201671      9.218160 
1 1 1 -29 -18 40 o 30.115  8.1079  243.014    60.561   273.741    79.845   201.392    92.928   24.735  9.4880  17.782  8.3691  6.953217       12.65164 
1 1 1 -29 -18 41 o 7.7400  3.9324  -98.7234   39.612   -78.7155   48.205   -140.3283  69.513   9.0942  4.5905  ?       ?       0.000000       4.590534 
1 1 1 -29 -18 42 o 14.577  6.6053  60.208     50.369   17.184     64.419   127.888    80.796   12.601  6.1798  16.026  7.6198  -3.425071      9.810759 
1 1 1 -29 -18 43 o 19.677  7.6828  128.914    53.051   180.202    65.571   31.722     90.265   21.125  8.4488  13.150  6.5907  7.975174       10.71535 
1 1 1 -29 -18 44 o 13.411  6.2107  42.576     47.916   61.953     57.386   -2.0383    87.077   14.218  6.6549  12.406  6.2508  1.811805       9.130202 
1 1 1 -29 -18 45 o 12.095  5.7982  18.904     48.868   -3.4510    59.636   64.598     85.261   11.618  5.7448  13.596  6.7486  -1.978535      8.862681 
1 1 1 -29 -18 46 o 10.264  5.0871  -25.4426   47.779   -44.3189   53.494   49.003     106.235  10.110  5.0681  13.002  6.5886  -2.891596      8.312348 
1 1 1 -29 -18 47 o 9.6582  4.8263  -39.9739   46.771   -42.2483   51.036   -28.0480   116.866  9.8952  4.9590  ?       ?       0.000000       4.958954 
1 1 1 -29 -18 48 o 11.539  5.5770  17.975     47.451   34.069     56.187   -22.0464   88.605   12.255  5.9575  11.441  5.8196  0.8133230      8.328255 
1 1 1 -29 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -17 8  o 9.4386  4.2434  4.2042     20.318   0.0000     0.0000   4.2042     20.318   ?       ?       9.4386  4.2434  0.000000       4.243363 
1 1 1 -29 -17 9  f 13.964  6.0607  44.404     38.092   0.0000     0.0000   44.404     38.092   ?       ?       13.964  6.0607  0.000000       6.060719 
1 1 1 -29 -17 10 o 8.2666  4.1863  -89.5631   42.407   0.0000     0.0000   -89.5631   42.407   ?       ?       8.2666  4.1863  0.000000       4.186336 
1 1 1 -29 -17 11 o 14.391  6.2763  50.930     41.259   -4.3600    98.097   62.813     45.478   12.738  6.4419  15.104  6.5882  -2.365947      9.214264 
1 1 1 -29 -17 12 o 9.8672  4.8809  -34.4964   43.192   -75.2288   104.605  -26.1244   47.424   ?       ?       10.495  5.1773  0.000000       5.177299 
1 1 1 -29 -17 13 o 10.296  5.0717  -26.7585   44.978   81.398     94.528   -58.4126   51.138   14.331  7.1121  9.8560  4.9428  4.475313       8.661033 
1 1 1 -29 -17 14 f 17.225  7.4080  103.006    55.878   186.380    115.008  77.243     63.932   15.949  7.9027  15.031  7.0321  0.9177008      10.57837 
1 1 1 -29 -17 15 f 11.054  5.5037  -32.5028   58.534   -105.1840  106.045  -0.6551    70.197   ?       ?       12.354  6.1304  0.000000       6.130438 
1 1 1 -29 -17 16 o 14.150  6.8832  60.049     75.319   6.1766     139.066  82.412     89.598   ?       ?       14.549  7.1653  0.000000       7.165281 
1 1 1 -29 -17 17 o 13.240  6.3860  31.623     61.463   113.874    135.230  10.208     69.002   14.483  7.3493  12.667  6.2479  1.816421       9.646200 
1 1 1 -29 -17 18 o 15.635  7.1539  82.941     60.937   -0.1256    113.946  116.215    72.117   13.155  6.6824  16.550  7.6483  -3.394343      10.15630 
1 1 1 -29 -17 19 f 10.475  5.2663  -62.7514   59.999   -150.4282  106.025  -21.4471   72.772   ?       ?       12.027  6.0115  0.000000       6.011455 
1 1 1 -29 -17 20 o 10.786  5.4249  -60.2875   64.002   -84.5601   113.179  -48.8768   77.601   ?       ?       11.665  5.8804  0.000000       5.880355 
1 1 1 -29 -17 21 o 13.560  6.8535  27.691     109.625  -143.7674  222.635  82.567     125.952  ?       ?       14.293  7.2357  0.000000       7.235662 
1 1 1 -29 -17 22 o 14.742  7.3569  97.665     107.051  -47.1963   244.800  131.917    119.036  ?       ?       15.122  7.5775  0.000000       7.577478 
1 1 1 -29 -17 23 o 33.169  9.3218  341.650    78.139   140.417    148.772  418.310    91.824   ?       ?       33.493  10.298  0.000000       10.29835 
1 1 1 -29 -17 24 o 21.218  8.7305  191.351    72.366   90.581     138.983  228.832    84.763   ?       ?       20.990  9.0755  0.000000       9.075506 
1 1 1 -29 -17 25 o 15.465  7.2666  87.202     69.544   263.232    135.547  24.310     81.020   16.744  8.3433  13.298  6.5968  3.446107       10.63617 
1 1 1 -29 -17 26 o 13.505  6.5772  35.701     69.339   86.919     144.635  20.417     79.011   ?       ?       13.166  6.5286  0.000000       6.528634 
1 1 1 -29 -17 27 o 11.295  5.6353  -34.4637   62.675   -61.2599   139.996  -27.7466   70.092   ?       ?       11.789  5.8935  0.000000       5.893455 
1 1 1 -29 -17 28 o 11.611  5.8083  -32.0837   68.552   18.017     143.796  -46.8192   77.984   ?       ?       11.690  5.8931  0.000000       5.893086 
1 1 1 -29 -17 29 o 12.182  6.0329  -5.3765    66.704   -43.5682   144.357  4.9920     75.216   ?       ?       12.669  6.2969  0.000000       6.296909 
1 1 1 -29 -17 30 o 16.735  7.4797  104.708    62.150   66.997     77.036   175.016    105.186  14.351  6.9763  16.303  7.9745  -1.952212      10.59534 
1 1 1 -29 -17 31 f 11.821  5.8427  -9.9027    61.435   3.4266     78.584   -30.8545   98.524   12.648  6.3105  12.447  6.3115  0.2012300      8.925096 
1 1 1 -29 -17 32 o 15.885  7.3205  96.026     65.384   -12.4719   81.372   293.715    109.839  12.354  6.2009  19.232  9.0660  -6.878261      10.98380 
1 1 1 -29 -17 33 o 15.074  6.7419  66.147     50.578   128.146    62.392   -52.6907   86.381   18.115  7.8093  11.781  5.9668  6.334031       9.827898 
1 1 1 -29 -17 34 o 9.4202  4.6780  -42.2334   41.161   -57.2344   48.985   -6.1978    75.922   9.7059  4.8632  12.322  6.1560  -2.615638      7.845186 
1 1 1 -29 -17 35 o 23.770  8.1797  176.177    57.104   79.186     73.980   319.147    89.819   14.689  7.0655  24.834  9.9030  -10.14549      12.16512 
1 1 1 -29 -17 36 f 9.8477  4.9146  -48.0180   47.804   -17.7217   53.224   -174.4417  108.725  11.140  5.4933  ?       ?       0.000000       5.493299 
1 1 1 -29 -17 37 f 15.007  7.4685  128.679    107.205  -301.4883  303.475  190.015    114.594  ?       ?       15.967  7.9076  0.000000       7.907551 
1 1 1 -29 -17 38 o 13.298  6.6937  28.684     98.584   60.350     318.556  25.331     103.674  ?       ?       13.270  6.7024  0.000000       6.702384 
1 1 1 -29 -17 39 o 14.040  6.4624  49.864     50.746   57.670     65.696   38.317     79.904   14.123  6.7578  13.438  6.6459  0.6842842      9.478116 
1 1 1 -29 -17 40 o 12.401  5.8618  19.807     46.504   81.186     58.733   -83.3298   76.134   15.551  7.0800  10.924  5.5401  4.627092       8.989913 
1 1 1 -29 -17 41 o 19.131  7.6184  119.346    53.092   163.016    67.495   48.472     85.986   19.811  8.3141  13.731  6.8089  6.080305       10.74644 
1 1 1 -29 -17 42 o 15.440  6.8864  72.971     52.382   129.893    66.276   -21.7667   85.502   17.711  7.8308  12.279  6.1876  5.432400       9.980401 
1 1 1 -29 -17 43 o 13.898  6.4064  47.923     50.124   73.232     61.952   -0.0397    85.285   14.860  6.9424  12.619  6.3357  2.241656       9.398867 
1 1 1 -29 -17 44 o 9.5853  4.7699  -43.3423   43.706   -48.1870   51.268   -30.4557   83.614   10.074  5.0369  11.955  6.0360  -1.881133      7.861538 
1 1 1 -29 -17 45 o 12.236  5.9905  12.998     59.743   4.2685     67.900   42.921     125.713  12.173  6.0386  ?       ?       0.000000       6.038607 
1 1 1 -29 -17 46 o 14.117  6.7105  67.852     62.601   66.942     73.827   70.181     118.094  13.791  6.7320  13.396  6.8046  0.3950319      9.571997 
1 1 1 -29 -17 47 o 10.997  5.4797  -18.1452   58.471   -30.5521   66.856   22.218     120.587  11.041  5.5518  ?       ?       0.000000       5.551807 
1 1 1 -29 -17 48 o 11.069  5.4330  1.1027     50.103   50.042     62.250   -88.9154   84.426   12.917  6.2773  ?       ?       0.000000       6.277264 
1 1 1 -29 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -16 8  o 38.300  6.3873  295.863    57.267   0.0000     0.0000   295.863    57.267   ?       ?       38.300  6.3873  0.000000       6.387267 
1 1 1 -29 -16 9  o 15.999  7.3735  98.646     66.350   0.0000     0.0000   98.646     66.350   ?       ?       15.999  7.3735  0.000000       7.373467 
1 1 1 -29 -16 10 o 8.3252  4.1385  -45.1592   32.541   -65.0034   170.756  -44.4113   33.149   ?       ?       8.4354  4.1905  0.000000       4.190520 
1 1 1 -29 -16 11 o 17.075  7.0519  86.235     47.441   44.011     101.447  98.053     53.671   13.684  6.8757  17.252  7.3353  -3.567659      10.05396 
1 1 1 -29 -16 12 o 18.044  7.4087  104.047    51.977   124.291    105.976  97.635     59.644   15.172  7.5295  16.586  7.3762  -1.413947      10.54049 
1 1 1 -29 -16 13 o 15.241  6.7585  65.373     49.716   203.660    107.158  27.442     56.122   17.059  8.2780  13.051  6.2453  4.008306       10.36960 
1 1 1 -29 -16 14 o 11.072  5.4217  -16.1267   49.027   -64.6343   106.285  -3.0154    55.257   ?       ?       11.878  5.8037  0.000000       5.803735 
1 1 1 -29 -16 15 o 12.911  6.3527  14.321     69.899   -7.0843    130.985  22.844     82.651   ?       ?       13.318  6.6164  0.000000       6.616413 
1 1 1 -29 -16 16 o 12.027  5.9960  -21.3144   70.403   -11.1010   124.187  -26.1515   85.464   ?       ?       12.405  6.2430  0.000000       6.243023 
1 1 1 -29 -16 17 o 12.251  5.9766  2.2938     57.938   66.555     108.399  -23.4063   68.552   14.302  7.1757  11.930  5.9425  2.372505       9.316875 
1 1 1 -29 -16 18 o 12.285  6.0199  -0.4745    60.734   49.509     108.342  -23.3790   73.341   14.054  7.0671  12.135  6.0610  1.918828       9.310137 
1 1 1 -29 -16 19 o 12.906  6.2857  15.185     63.358   159.264    117.112  -44.4353   75.335   15.919  7.9027  11.787  5.9229  4.131516       9.875944 
1 1 1 -29 -16 20 o 14.664  7.1867  70.117     86.642   131.693    121.726  6.8851     123.351  15.334  7.6808  13.585  6.9055  1.749578       10.32862 
1 1 1 -29 -16 21 o 14.302  7.1367  58.198     100.714  113.200    227.789  44.833     112.285  ?       ?       14.058  7.0851  0.000000       7.085089 
1 1 1 -29 -16 22 o 23.999  10.776  485.777    130.583  221.451    271.330  565.455    148.970  ?       ?       22.956  10.738  0.000000       10.73780 
1 1 1 -29 -16 23 o 29.101  9.4457  286.832    76.289   291.582    146.858  285.077    89.281   17.091  8.5423  24.150  9.7878  -7.059299      12.99122 
1 1 1 -29 -16 24 o 15.689  7.3081  84.384     67.851   42.317     132.797  99.247     78.932   14.049  7.1438  15.817  7.5237  -1.768504      10.37494 
1 1 1 -29 -16 25 o 14.807  7.0138  64.552     67.225   113.072    134.782  48.485     77.560   14.865  7.5210  14.124  6.8958  0.7409830      10.20380 
1 1 1 -29 -16 26 o 18.212  8.3023  160.162    81.106   589.393    263.927  115.399    85.230   ?       ?       16.057  7.6868  0.000000       7.686846 
1 1 1 -29 -16 27 o 16.927  7.3279  91.919     55.400   183.608    74.782   -19.6057   82.476   20.463  8.6779  12.503  6.2710  7.959902       10.70663 
1 1 1 -29 -16 28 o 17.057  7.4037  96.370     56.854   80.413     80.777   112.036    80.035   14.976  7.2474  16.113  7.6384  -1.137321      10.52946 
1 1 1 -29 -16 29 o 12.720  6.0916  18.711     53.624   85.605     75.422   -49.6724   76.256   15.266  7.2872  11.661  5.8722  3.604998       9.358762 
1 1 1 -29 -16 30 o 13.472  6.4715  34.566     61.548   36.489     76.234   30.966     104.309  13.619  6.6878  13.633  6.8655  -0.1390362E-01 9.584507 
1 1 1 -29 -16 31 o 12.632  6.1629  12.289     61.660   2.7345     76.095   30.558     105.221  12.710  6.3197  13.589  6.8501  -0.8796225     9.319992 
1 1 1 -29 -16 32 o 20.800  8.3217  161.629    63.637   182.542    76.431   114.369    114.899  19.678  8.5628  14.847  7.4404  4.831282       11.34378 
1 1 1 -29 -16 33 o 20.950  7.9691  143.463    56.032   201.646    71.122   48.260     90.977   22.149  8.8185  13.807  6.8724  8.341983       11.18011 
1 1 1 -29 -16 34 o 22.682  8.5090  182.838    63.365   79.840     82.439   331.541    99.055   14.660  7.1468  23.287  9.9348  -8.626696      12.23838 
1 1 1 -29 -16 35 o 12.852  6.0650  26.634     49.409   -1.0701    60.177   83.949     86.555   12.064  5.9280  14.661  7.1846  -2.596652      9.314507 
1 1 1 -29 -16 36 o 14.279  7.2540  100.010    134.543  554.911    319.743  2.1360     148.312  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -16 37 f 14.939  7.5637  159.285    137.953  133.425    327.842  164.849    152.072  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -16 38 o 13.829  6.8420  50.956     85.028   -307.4984  345.742  74.031     87.722   ?       ?       14.373  7.0808  0.000000       7.080802 
1 1 1 -29 -16 39 o 17.765  7.7570  122.397    63.194   186.020    88.153   55.133     90.640   18.038  8.3780  13.919  6.9173  4.118817       10.86462 
1 1 1 -29 -16 40 o 11.821  5.7816  -3.4274    55.245   -51.7385   72.736   62.440     84.931   11.378  5.7302  14.175  6.9802  -2.797677      9.030965 
1 1 1 -29 -16 41 o 20.442  8.7436  196.825    77.083   147.682    93.228   303.018    137.046  16.339  7.8771  17.276  8.5717  -0.9364777     11.64143 
1 1 1 -29 -16 42 o 16.548  7.4286  100.270    62.015   60.066     85.928   143.977    89.592   14.107  6.9607  16.408  7.8619  -2.301068      10.50051 
1 1 1 -29 -16 43 f 20.841  8.4300  171.282    66.090   142.863    91.232   202.665    95.871   16.185  7.8000  17.827  8.4237  -1.641808      11.48035 
1 1 1 -29 -16 44 o 27.168  9.1311  260.023    71.115   255.456    98.967   264.898    102.257  19.240  8.9156  19.139  8.9338  0.1014614      12.62142 
1 1 1 -29 -16 45 o 15.093  7.1637  90.449     70.831   85.438     83.581   103.218    133.427  14.480  7.0881  14.046  7.1443  0.4332933      10.06390 
1 1 1 -29 -16 46 o 13.839  6.6907  60.820     68.455   43.006     80.296   108.212    130.969  13.223  6.5607  ?       ?       0.000000       6.560731 
1 1 1 -29 -16 47 o 12.177  5.9685  17.777     59.835   107.028    84.089   -73.7615   85.160   14.537  7.1147  ?       ?       0.000000       7.114684 
1 1 1 -29 -16 48 f 10.790  5.3760  -18.9876   56.237   28.182     73.614   -85.1000   87.150   12.378  6.1648  ?       ?       0.000000       6.164794 
1 1 1 -29 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -15 7  o ?       ?       -212.2781  5.8234   0.0000     0.0000   -212.2781  5.8234   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -15 8  o 12.000  5.4413  19.059     34.244   0.0000     0.0000   19.059     34.244   ?       ?       12.000  5.4413  0.000000       5.441256 
1 1 1 -29 -15 9  o 8.2221  4.1244  -62.1177   35.720   -357.5765  148.748  -44.0371   36.797   ?       ?       8.9441  4.4384  0.000000       4.438400 
1 1 1 -29 -15 10 o 15.405  6.4702  59.332     40.930   -27.1778   94.038   79.551     45.463   12.548  6.3424  16.861  6.9266  -4.312614      9.391701 
1 1 1 -29 -15 11 o 12.928  5.9606  27.745     43.419   -143.5023  94.445   73.639     48.892   ?       ?       16.027  6.9112  0.000000       6.911241 
1 1 1 -29 -15 12 o 9.9629  4.9073  -32.5244   42.072   35.831     97.612   -48.1201   46.625   13.751  6.8863  9.8761  4.9166  3.874849       8.461323 
1 1 1 -29 -15 13 o 12.898  6.0813  23.662     49.473   -101.0308  108.195  56.626     55.630   ?       ?       14.647  6.7508  0.000000       6.750772 
1 1 1 -29 -15 14 o 11.815  5.7436  -4.0894    52.200   29.253     103.856  -15.3595   60.381   13.763  6.9205  11.842  5.8415  1.921357       9.056324 
1 1 1 -29 -15 15 o 13.622  6.6574  30.896     72.827   159.909    125.816  -34.1120   89.310   15.775  7.8880  12.501  6.3025  3.274596       10.09662 
1 1 1 -29 -15 16 o 16.728  7.5933  101.721    66.926   150.142    141.452  87.755     75.968   15.373  7.7708  15.597  7.4078  -0.2246056     10.73601 
1 1 1 -29 -15 17 o 13.992  6.6651  40.752     62.413   48.429     115.174  37.561     74.262   14.249  7.1807  13.924  6.7869  0.3250523      9.880469 
1 1 1 -29 -15 18 o 10.154  5.1063  -74.3001   56.618   -48.8560   102.654  -85.4244   67.876   12.720  6.4492  10.718  5.4147  2.002046       8.420901 
1 1 1 -29 -15 19 o 11.226  5.5341  -27.1949   53.886   -80.7666   111.650  -10.9270   61.526   ?       ?       12.159  5.9786  0.000000       5.978596 
1 1 1 -29 -15 20 o 13.966  6.9035  33.347     85.837   -11.8184   204.558  42.999     94.565   ?       ?       14.225  7.0686  0.000000       7.068634 
1 1 1 -29 -15 21 o 22.170  10.053  354.362    116.922  504.015    241.660  308.623    133.600  ?       ?       18.687  9.1072  0.000000       9.107204 
1 1 1 -29 -15 22 o 18.355  8.0839  130.756    69.958   178.764    135.163  113.188    81.761   16.137  8.0847  16.536  7.8032  -0.3984814     11.23617 
1 1 1 -29 -15 23 o 16.480  7.5350  94.109     67.435   90.767     138.040  95.157     77.285   14.870  7.5327  16.026  7.5699  -1.156189      10.67916 
1 1 1 -29 -15 24 o 9.2560  4.6361  -65.6101   44.328   -51.4357   58.611   -84.5539   67.758   10.870  5.4277  10.752  5.4292  0.1184187      7.676979 
1 1 1 -29 -15 25 o 11.817  5.7199  -4.5904    50.383   21.631     69.138   -34.2832   73.573   13.423  6.5439  12.076  6.0371  1.347235       8.903372 
1 1 1 -29 -15 26 o 15.504  6.9858  67.115     55.429   37.257     75.916   101.205    81.119   13.957  6.8160  16.008  7.6182  -2.050954      10.22227 
1 1 1 -29 -15 27 o 17.392  7.4813  97.136     57.005   49.418     80.351   145.492    80.886   14.286  6.9841  17.817  8.1853  -3.530754      10.76000 
1 1 1 -29 -15 28 o 14.477  6.7244  51.332     56.805   -18.0781   77.477   132.021    83.534   12.497  6.2399  16.946  7.9629  -4.449080      10.11653 
1 1 1 -29 -15 29 o 12.294  5.9284  6.4671     52.889   -36.6353   70.550   61.774     79.916   11.791  5.8974  14.557  7.0832  -2.765727      9.216886 
1 1 1 -29 -15 30 o 12.846  6.2506  13.792     62.227   48.683     76.573   -54.0539   106.779  14.131  6.8885  12.604  6.4086  1.527265       9.408584 
1 1 1 -29 -15 31 o 13.881  6.5531  42.064     57.776   59.580     65.806   -16.8637   120.697  14.574  6.9139  ?       ?       0.000000       6.913888 
1 1 1 -29 -15 32 o 13.423  6.2916  33.918     51.591   106.085    60.786   -151.9847  97.561   17.289  7.5768  ?       ?       0.000000       7.576831 
1 1 1 -29 -15 33 o 14.505  6.8003  57.831     60.324   -46.3149   83.666   170.593    87.058   11.981  6.0478  17.825  8.2947  -5.844258      10.26540 
1 1 1 -29 -15 34 o 16.804  7.4823  101.676    61.558   94.821     84.001   109.628    90.471   15.220  7.3720  15.443  7.5192  -0.2225399     10.53025 
1 1 1 -29 -15 35 o 11.223  5.5682  -28.0995   57.829   -55.3262   77.611   5.8853     86.710   11.559  5.8337  12.973  6.4956  -1.413239      8.730706 
1 1 1 -29 -15 36 o 14.527  7.3444  102.694    126.761  342.245    318.306  57.542     138.191  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -15 37 o 15.278  7.6946  163.082    131.173  76.707     327.228  179.619    143.180  ?       ?       15.234  7.7123  0.000000       7.712298 
1 1 1 -29 -15 38 o 14.682  6.9251  65.679     64.256   95.442     88.860   33.061     93.025   15.033  7.3482  13.549  6.7759  1.483700       9.995398 
1 1 1 -29 -15 39 o 11.202  5.5621  -29.3525   58.136   -68.7059   78.203   19.262     86.919   11.349  5.7406  13.241  6.6109  -1.891394      8.755438 
1 1 1 -29 -15 40 o 12.390  6.0536  6.0976     60.097   96.707     80.580   -107.4712  90.214   15.397  7.3984  ?       ?       0.000000       7.398368 
1 1 1 -29 -15 41 o 13.663  6.6712  38.058     72.654   63.036     84.603   -32.1079   141.798  14.334  7.0403  ?       ?       0.000000       7.040278 
1 1 1 -29 -15 42 o 21.349  8.6541  184.258    69.812   86.397     94.617   301.194    103.428  14.756  7.2852  21.150  9.5351  -6.394326      11.99966 
1 1 1 -29 -15 43 o 18.226  7.7735  121.507    60.611   168.613    83.747   69.691     87.834   17.962  8.2801  14.395  7.0903  3.566901       10.90105 
1 1 1 -29 -15 44 o 13.981  6.6494  50.347     61.627   122.962    85.802   -27.0323   88.572   15.870  7.6276  12.326  6.2219  3.543732       9.843435 
1 1 1 -29 -15 45 o 14.190  6.8348  62.388     69.823   23.474     81.693   167.869    134.501  13.064  6.5042  14.961  7.5640  -1.897278      9.975857 
1 1 1 -29 -15 46 o 17.100  7.8547  144.111    74.448   121.303    87.298   204.932    142.558  15.283  7.4289  14.958  7.5856  0.3249769      10.61748 
1 1 1 -29 -15 47 o 14.585  6.8241  75.647     60.239   95.073     84.533   55.605     85.863   14.340  7.0420  13.365  6.6564  0.9749842      9.690084 
1 1 1 -29 -15 48 o 11.151  5.5469  -12.0617   58.886   100.580    80.638   -140.7632  86.195   14.268  6.9797  ?       ?       0.000000       6.979711 
1 1 1 -29 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -14 7  o 8.2519  4.0248  -26.0174   26.236   0.0000     0.0000   -26.0174   26.236   ?       ?       8.2519  4.0248  0.000000       4.024765 
1 1 1 -29 -14 8  o 16.024  7.0815  78.522     54.134   280.675    121.232  28.176     60.501   18.276  8.8530  13.262  6.3816  5.013868       10.91332 
1 1 1 -29 -14 9  o 14.882  6.4206  53.255     42.241   103.626    171.680  50.009     43.580   ?       ?       14.558  6.3969  0.000000       6.396928 
1 1 1 -29 -14 10 o 13.890  6.1030  39.970     39.663   -170.9005  97.916   81.361     43.381   ?       ?       17.528  6.9160  0.000000       6.916033 
1 1 1 -29 -14 11 o 18.138  7.2793  94.924     48.861   91.708     108.113  95.749     54.774   14.909  7.4326  17.407  7.4060  -2.497173      10.49251 
1 1 1 -29 -14 12 o 13.899  6.3847  39.833     49.191   33.554     105.353  41.584     55.626   13.942  7.0055  13.986  6.5484  -0.4434681E-01 9.589458 
1 1 1 -29 -14 13 f 11.846  5.7210  -2.1984    49.711   3.6005     102.987  -3.9599    56.761   13.486  6.7956  12.137  5.9199  1.349033       9.012514 
1 1 1 -29 -14 14 o 13.412  6.5526  20.367     70.399   88.177     107.017  -31.3622   93.470   15.074  7.4954  12.788  6.4474  2.286361       9.886843 
1 1 1 -29 -14 15 o 11.082  5.6014  -85.8967   73.358   -172.2017  118.288  -31.9588   93.512   ?       ?       12.825  6.4637  0.000000       6.463697 
1 1 1 -29 -14 16 o 11.363  5.6408  -37.1974   59.660   146.828    109.491  -114.9068  71.150   16.450  8.0652  10.483  5.3204  5.967056       9.661978 
1 1 1 -29 -14 17 o 11.924  5.7865  -7.0899    52.378   -144.3534  113.010  30.463     59.110   ?       ?       13.722  6.5221  0.000000       6.522067 
1 1 1 -29 -14 18 o 10.845  5.3710  -40.1969   52.868   -158.7233  116.936  -9.7446    59.272   ?       ?       12.219  5.9787  0.000000       5.978698 
1 1 1 -29 -14 19 o 14.500  6.7753  45.943     59.050   100.989    123.923  29.773     67.166   15.385  7.7127  13.867  6.6853  1.518305       10.20680 
1 1 1 -29 -14 20 o ?       ?       -152.0790  74.300   -367.6332  196.585  -116.1562  80.252   ?       ?       11.067  5.6205  0.000000       5.620517 
1 1 1 -29 -14 21 o 15.926  7.8332  111.347    105.937  0.0000     0.0000   111.347    105.937  ?       ?       15.926  7.8332  0.000000       7.833246 
1 1 1 -29 -14 22 o 11.844  5.7255  -6.9893    50.080   -46.6372   74.084   26.373     67.959   11.995  6.0057  13.782  6.6642  -1.787236      8.971048 
1 1 1 -29 -14 23 o 13.578  6.3341  28.907     51.268   42.640     71.115   14.046     73.978   14.382  6.9202  13.496  6.6196  0.8854542      9.576445 
1 1 1 -29 -14 24 o 17.170  7.3846  87.130     55.527   166.624    76.991   0.9618     80.158   19.979  8.6439  13.277  6.5819  6.702927       10.86458 
1 1 1 -29 -14 25 o 8.8425  4.4742  -100.0546  47.780   -158.1950  68.925   -46.2685   66.294   ?       ?       11.567  5.7748  0.000000       5.774833 
1 1 1 -29 -14 26 o 11.624  5.8056  -45.2982   67.302   -348.9442  232.414  -17.5055   70.314   ?       ?       12.451  6.1713  0.000000       6.171254 
1 1 1 -29 -14 27 o 18.412  7.7874  111.890    59.962   134.884    80.361   83.008     90.064   17.669  8.1326  15.347  7.4791  2.321734       11.04883 
1 1 1 -29 -14 28 o 12.603  6.0818  7.5007     55.918   -3.6864    71.076   25.674     90.588   12.775  6.3084  13.867  6.8952  -1.092191      9.345558 
1 1 1 -29 -14 29 o 10.904  5.4152  -41.0213   55.208   -51.5020   69.490   -23.0844   90.907   11.511  5.7711  12.863  6.4688  -1.352098      8.669018 
1 1 1 -29 -14 30 o 11.444  5.6309  -21.4933   54.904   -23.1457   60.182   -13.2942   134.060  11.694  5.7802  ?       ?       0.000000       5.780180 
1 1 1 -29 -14 31 o 12.490  6.0868  3.8621     59.643   -4.1404    64.936   47.038     150.831  12.427  6.1164  ?       ?       0.000000       6.116369 
1 1 1 -29 -14 32 o 13.359  6.2720  30.636     51.626   18.736     60.941   60.885     97.161   13.022  6.3003  14.395  7.1550  -1.372380      9.533486 
1 1 1 -29 -14 33 o 13.864  6.5538  41.067     58.133   56.764     80.192   23.682     84.394   14.339  7.0032  13.493  6.7003  0.8459063      9.692221 
1 1 1 -29 -14 34 o 13.499  6.4655  33.398     60.469   10.518     81.565   61.320     90.104   13.108  6.5220  14.333  7.0825  -1.224483      9.628002 
1 1 1 -29 -14 35 o 13.260  6.3850  27.911     60.821   6.1406     82.131   54.346     90.504   12.994  6.4780  14.134  7.0047  -1.139773      9.540981 
1 1 1 -29 -14 36 o 14.535  7.3770  100.077    136.655  0.0000     0.0000   100.077    136.655  ?       ?       14.535  7.3770  0.000000       7.376960 
1 1 1 -29 -14 37 o 14.950  7.5588  133.255    134.357  984.539    350.947  -12.9439   145.437  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -14 38 o 14.412  6.8318  57.037     64.017   29.646     85.463   92.053     96.630   13.528  6.7220  14.892  7.3542  -1.363255      9.963369 
1 1 1 -29 -14 39 f 14.848  6.9772  66.522     64.137   28.693     87.051   111.439    94.856   13.536  6.7354  15.438  7.5559  -1.901428      10.12217 
1 1 1 -29 -14 40 o 13.353  6.4497  29.432     63.241   24.782     84.872   35.236     94.827   13.452  6.6866  13.739  6.8665  -0.2867489     9.584341 
1 1 1 -29 -14 41 o 14.739  6.9738  63.709     66.095   90.407     89.038   30.941     98.643   15.113  7.3806  13.714  6.8758  1.398740       10.08713 
1 1 1 -29 -14 42 o 15.916  7.1791  81.095     58.714   14.455     80.905   155.245    85.342   13.191  6.5518  17.494  8.1646  -4.303384      10.46836 
1 1 1 -29 -14 43 o 13.944  6.6346  44.956     61.475   -25.7829   85.931   119.110    87.982   12.437  6.2593  15.931  7.6734  -3.493887      9.902493 
1 1 1 -29 -14 44 o 19.942  8.2812  156.426    65.937   72.945     91.989   244.639    94.561   14.428  7.1346  19.986  9.0539  -5.558084      11.52720 
1 1 1 -29 -14 45 o 11.191  5.6292  -50.3334   69.006   5.5255     84.746   -160.2398  118.874  12.813  6.4167  ?       ?       0.000000       6.416679 
1 1 1 -29 -14 46 o 14.233  6.9266  70.450     76.494   104.070    91.072   -10.0828   140.953  14.804  7.2779  ?       ?       0.000000       7.277854 
1 1 1 -29 -14 47 o 11.871  5.8195  5.9108     56.962   65.778     76.348   -69.2517   85.547   13.829  6.7708  11.264  5.7282  2.565423       8.868795 
1 1 1 -29 -14 48 o 15.754  7.2466  108.688    63.661   113.120    89.672   104.184    90.394   14.380  7.0983  14.146  7.0086  0.2341824      9.975278 
1 1 1 -29 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -13 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -13 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -13 6  o 14.166  5.7417  40.308     30.726   0.0000     0.0000   40.308     30.726   ?       ?       14.166  5.7417  0.000000       5.741708 
1 1 1 -29 -13 7  o 17.232  6.6530  73.277     39.440   0.0000     0.0000   73.277     39.440   ?       ?       17.232  6.6530  0.000000       6.652999 
1 1 1 -29 -13 8  o 15.659  7.2325  79.684     64.353   0.0000     0.0000   79.684     64.353   ?       ?       15.659  7.2325  0.000000       7.232506 
1 1 1 -29 -13 9  o 12.165  5.6038  16.193     38.262   68.916     95.587   6.1332     41.753   14.660  7.2532  11.752  5.5548  2.907984       9.135933 
1 1 1 -29 -13 10 o 13.844  6.2228  38.010     43.671   13.375     100.052  43.808     48.538   13.629  6.8455  14.209  6.4563  -0.5802860     9.409814 
1 1 1 -29 -13 11 o 15.669  6.8478  64.252     49.348   184.476    104.965  30.140     55.912   17.532  8.4291  13.547  6.4111  3.984815       10.59018 
1 1 1 -29 -13 12 o 14.264  6.5269  43.142     50.732   71.018     104.847  34.621     57.970   14.860  7.3938  13.838  6.5423  1.022337       9.872726 
1 1 1 -29 -13 13 o 15.031  6.8290  55.630     54.280   -26.7757   107.425  83.882     62.901   13.297  6.7259  16.349  7.3973  -3.052751      9.997874 
1 1 1 -29 -13 14 o 12.400  6.1875  -30.5493   75.696   -51.4937   124.920  -18.3969   95.155   ?       ?       13.234  6.6506  0.000000       6.650574 
1 1 1 -29 -13 15 o 16.687  7.6937  97.132     72.347   138.478    140.964  82.347     84.296   15.800  7.9601  15.664  7.5364  0.1363659      10.96183 
1 1 1 -29 -13 16 o 17.549  7.6020  95.399     59.703   -44.1721   120.366  140.943    68.757   13.467  6.8436  19.710  8.3377  -6.242241      10.78665 
1 1 1 -29 -13 17 o 11.548  5.6463  -20.7884   52.553   -35.2912   113.914  -16.8670   59.234   13.501  6.8398  12.096  5.9307  1.405660       9.052976 
1 1 1 -29 -13 18 o 10.743  5.3505  -54.3705   55.475   -106.3082  124.928  -41.6136   61.914   ?       ?       11.546  5.7343  0.000000       5.734328 
1 1 1 -29 -13 19 o 24.771  10.483  344.217    108.758  739.295    237.956  239.896    122.277  19.234  9.7587  18.724  9.0252  0.5101852      13.29237 
1 1 1 -29 -13 20 o 13.935  6.8977  14.142     86.804   -85.9860   213.372  34.000     95.023   ?       ?       14.490  7.1803  0.000000       7.180342 
1 1 1 -29 -13 21 o 15.077  7.3568  57.807     87.953   124.056    213.819  44.314     96.495   ?       ?       14.734  7.2897  0.000000       7.289674 
1 1 1 -29 -13 22 o 16.300  7.2602  73.125     58.014   -43.7616   85.905   171.131    78.661   12.679  6.3652  20.477  8.7975  -7.797147      10.85871 
1 1 1 -29 -13 23 o 15.546  7.0054  60.125     55.759   81.306     79.784   39.903     77.958   15.925  7.5717  14.514  7.0470  1.410858       10.34368 
1 1 1 -29 -13 24 o 14.626  6.7472  44.883     55.753   52.704     73.121   34.023     86.168   14.920  7.1368  14.378  7.0707  0.5419559      10.04629 
1 1 1 -29 -13 25 o 12.683  6.3401  -31.8460   81.024   245.704    232.921  -70.0546   86.421   ?       ?       12.176  6.1462  0.000000       6.146170 
1 1 1 -29 -13 26 o 13.901  6.5613  31.620     57.877   8.3619     76.423   62.899     88.627   13.469  6.6304  15.070  7.3604  -1.600436      9.906484 
1 1 1 -29 -13 27 o 14.708  6.8918  49.426     61.823   80.237     83.600   12.239     91.843   15.602  7.5063  13.808  6.8784  1.793612       10.18116 
1 1 1 -29 -13 28 o 12.835  6.2282  5.9218     60.663   -11.7400   78.195   32.619     96.138   12.916  6.4197  14.222  7.0766  -1.305707      9.554616 
1 1 1 -29 -13 29 o 14.573  6.7539  48.377     56.828   99.447     61.356   -259.7732  150.716  17.426  7.6253  ?       ?       0.000000       7.625304 
1 1 1 -29 -13 30 o 14.434  6.7918  47.504     61.121   73.722     67.449   -72.8765   144.527  15.535  7.2528  ?       ?       0.000000       7.252846 
1 1 1 -29 -13 31 o 10.130  5.0534  -55.0687   50.328   -43.3248   53.837   -136.4589  141.730  10.745  5.3384  ?       ?       0.000000       5.338428 
1 1 1 -29 -13 32 o 17.203  7.3536  90.631     54.460   111.459    64.681   39.902     100.946  17.600  7.7612  14.110  7.0566  3.490438       10.48957 
1 1 1 -29 -13 33 o 15.081  7.0179  65.427     62.327   32.701     84.862   103.753    91.836   13.820  6.8373  15.611  7.5954  -1.790319      10.21953 
1 1 1 -29 -13 34 o 14.856  6.9766  62.888     63.966   -1.8145    85.257   146.217    96.753   13.005  6.5014  16.564  7.9949  -3.558907      10.30469 
1 1 1 -29 -13 35 o 11.618  5.8140  -40.1269   69.024   -76.1921   79.930   65.647     136.885  11.430  5.7841  14.293  7.2666  -2.862819      9.287615 
1 1 1 -29 -13 36 o ?       ?       -136.7749  113.023  -117.9204  302.697  -139.8295  121.835  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -13 37 o 15.838  7.9363  180.139    130.537  282.482    304.851  157.161    144.450  ?       ?       15.214  7.7071  0.000000       7.707067 
1 1 1 -29 -13 38 o 13.516  6.5269  32.320     64.677   31.493     86.214   33.384     97.816   13.663  6.7824  13.766  6.8939  -0.1033669     9.670972 
1 1 1 -29 -13 39 o 15.042  7.0094  67.588     62.521   44.708     81.690   99.942     97.141   13.985  6.8787  15.200  7.4811  -1.214989      10.16288 
1 1 1 -29 -13 40 o 16.531  7.5005  98.236     65.200   102.509    89.564   93.419     95.098   15.506  7.5342  15.116  7.4323  0.3900461      10.58311 
1 1 1 -29 -13 41 o 14.716  6.9786  61.285     66.918   13.908     88.532   124.429    102.208  13.378  6.6782  15.741  7.7328  -2.363371      10.21734 
1 1 1 -29 -13 42 o 10.301  5.1852  -73.3954   59.093   -0.7805    83.372   -146.7040  83.770   12.974  6.4774  ?       ?       0.000000       6.477374 
1 1 1 -29 -13 43 o 17.522  7.8062  118.631    67.101   195.670    93.118   35.416     96.778   18.470  8.5895  13.826  6.9138  4.644769       11.02632 
1 1 1 -29 -13 44 o 18.185  7.8848  126.251    64.342   180.546    93.622   77.652     88.575   17.645  8.3337  14.701  7.2171  2.943881       11.02440 
1 1 1 -29 -13 45 o 17.506  8.0496  148.162    78.463   105.065    91.674   266.205    151.721  15.175  7.4275  16.031  8.0984  -0.8561382     10.98871 
1 1 1 -29 -13 46 o 20.823  9.0777  242.516    86.238   234.735    105.038  258.609    151.054  17.734  8.5013  15.637  7.9171  2.096345       11.61685 
1 1 1 -29 -13 47 o 14.785  6.8914  75.950     60.498   40.935     81.707   118.441    90.008   13.223  6.5707  14.995  7.3438  -1.772221      9.854197 
1 1 1 -29 -13 48 o 11.259  5.5756  -9.0045    56.926   -21.3218   76.052   6.6895     85.846   11.594  5.8417  12.289  6.1939  -0.6953449     8.514091 
1 1 1 -29 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -12 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -12 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -12 6  o 14.455  5.9727  43.418     34.056   0.0000     0.0000   43.418     34.056   ?       ?       14.455  5.9727  0.000000       5.972700 
1 1 1 -29 -12 7  f 14.136  6.2847  42.058     43.266   66.662     73.850   29.200     53.388   14.928  7.1488  13.405  6.3196  1.522754       9.541655 
1 1 1 -29 -12 8  o 19.659  7.2535  101.506    45.671   230.205    137.367  85.511     48.426   16.858  8.3999  17.526  7.1684  -0.6678486     11.04287 
1 1 1 -29 -12 9  o 12.432  5.7557  16.649     41.118   86.480     97.640   1.5945     45.334   15.263  7.5096  11.834  5.6490  3.428809       9.397084 
1 1 1 -29 -12 10 o 13.736  6.2673  34.114     46.341   67.041     99.552   25.005     52.360   14.881  7.3696  13.328  6.2759  1.552136       9.679724 
1 1 1 -29 -12 11 o 16.291  7.1138  72.779     53.154   109.436    105.880  60.427     61.461   15.846  7.8011  15.204  7.0383  0.6424532      10.50693 
1 1 1 -29 -12 12 o 17.695  7.4519  91.279     54.526   150.952    108.918  71.322     62.987   16.876  8.2244  15.816  7.2501  1.060554       10.96377 
1 1 1 -29 -12 13 o 15.311  7.1709  61.473     66.810   145.195    111.104  14.053     83.617   16.767  8.2005  13.805  6.8217  2.962758       10.66694 
1 1 1 -29 -12 14 o 9.1083  4.6166  -113.3614  52.338   -229.2894  114.470  -82.7217   58.849   ?       ?       10.335  5.1986  0.000000       5.198550 
1 1 1 -29 -12 15 o 17.459  7.6034  91.861     60.366   169.270    147.398  76.261     66.170   16.447  8.2670  16.193  7.4261  0.2537727      11.11263 
1 1 1 -29 -12 16 o 19.541  8.1242  123.835    63.570   332.473    129.422  57.493     72.980   21.046  9.8965  15.254  7.2495  5.791726       12.26766 
1 1 1 -29 -12 17 o 25.911  7.8641  162.967    53.772   145.027    75.566   181.370    76.532   19.525  8.5051  21.830  8.9798  -2.304859      12.36823 
1 1 1 -29 -12 18 o 16.454  7.0336  66.818     49.826   88.135     70.162   45.128     70.772   16.790  7.6803  14.847  7.0793  1.943177       10.44525 
1 1 1 -29 -12 19 o 16.608  7.9885  105.256    94.554   174.648    257.885  94.479     101.631  ?       ?       16.135  7.8809  0.000000       7.880934 
1 1 1 -29 -12 20 o 19.674  9.0461  196.524    99.074   297.520    221.797  171.349    110.736  ?       ?       17.938  8.6324  0.000000       8.632351 
1 1 1 -29 -12 21 o 14.607  6.6660  41.018     52.457   10.101     73.478   73.156     74.914   13.708  6.6969  15.973  7.5167  -2.264411      10.06721 
1 1 1 -29 -12 22 f 16.121  7.1673  66.143     56.267   136.512    77.217   -13.5234   82.160   18.925  8.4058  13.329  6.6173  5.595986       10.69795 
1 1 1 -29 -12 23 o 18.273  7.6746  97.294     57.587   56.723     77.813   146.423    85.627   15.266  7.3178  18.631  8.5077  -3.364956      11.22191 
1 1 1 -29 -12 24 o 16.187  7.3656  72.495     63.457   92.851     87.810   50.243     91.806   16.320  7.8100  15.010  7.3643  1.309901       10.73448 
1 1 1 -29 -12 25 f 14.687  7.1678  40.974     83.571   269.701    240.168  9.4642     89.142   ?       ?       13.952  6.9208  0.000000       6.920755 
1 1 1 -29 -12 26 o 10.224  5.1473  -87.1903   58.432   -57.3904   77.122   -127.3483  89.528   12.068  6.0544  11.522  5.8598  0.5451984      8.425676 
1 1 1 -29 -12 27 o 16.210  7.3555  75.532     62.731   42.212     84.505   116.431    93.625   14.612  7.1477  16.698  8.0102  -2.085065      10.73560 
1 1 1 -29 -12 28 o 20.709  8.0334  129.566    57.714   102.567    70.925   182.484    99.295   17.162  7.8004  18.532  8.6996  -1.370131      11.68457 
1 1 1 -29 -12 29 o 12.906  6.2399  7.5366     59.541   27.568     64.207   -115.4317  159.085  13.797  6.6227  ?       ?       0.000000       6.622749 
1 1 1 -29 -12 30 o 16.871  7.6749  98.488     68.852   95.040     75.424   115.726    168.643  16.345  7.6440  ?       ?       0.000000       7.643959 
1 1 1 -29 -12 31 o 13.541  6.3837  28.556     54.485   30.442     65.166   24.174     99.317   13.788  6.6320  13.995  6.9992  -0.2069941     9.642199 
1 1 1 -29 -12 32 o 13.415  6.4546  23.679     61.850   7.9727     80.918   45.750     95.920   13.329  6.6087  14.336  7.1228  -1.007027      9.716466 
1 1 1 -29 -12 33 o 12.930  6.2903  11.054     62.935   73.136     79.667   -92.0096   102.647  15.108  7.2831  ?       ?       0.000000       7.283072 
1 1 1 -29 -12 34 o 16.303  7.4944  93.664     67.943   126.001    87.053   43.265     108.679  16.582  7.8915  14.170  7.1194  2.412467       10.62831 
1 1 1 -29 -12 35 o 15.019  7.5467  104.541    122.280  -17.5564   295.443  129.780    134.325  ?       ?       15.220  7.6802  0.000000       7.680152 
1 1 1 -29 -12 36 o 15.603  7.8148  147.766    125.888  -232.6412  318.027  218.447    137.086  ?       ?       16.414  8.2113  0.000000       8.211331 
1 1 1 -29 -12 37 o 20.195  8.6086  175.150    74.264   181.040    95.443   166.112    118.227  17.798  8.4086  16.119  7.9914  1.679630       11.60032 
1 1 1 -29 -12 38 o 11.193  5.5929  -45.2460   62.779   1.6261     80.674   -117.2079  99.960   12.980  6.4627  ?       ?       0.000000       6.462699 
1 1 1 -29 -12 39 o 11.699  5.8240  -30.5985   65.384   -16.5427   83.164   -53.3494   105.805  12.664  6.3441  12.635  6.4202  0.2876854E-01  9.025896 
1 1 1 -29 -12 40 o 12.603  6.2165  -1.6221    68.313   51.759     87.471   -85.0877   109.377  14.268  7.0371  ?       ?       0.000000       7.037055 
1 1 1 -29 -12 41 f 14.068  6.7897  42.890     69.756   -8.0253    88.935   124.291    112.451  13.022  6.5287  15.573  7.7331  -2.551031      10.12046 
1 1 1 -29 -12 42 o 16.815  7.6433  104.507    68.104   108.682    92.096   99.468     101.168  15.759  7.6533  15.283  7.5433  0.4759846      10.74586 
1 1 1 -29 -12 43 o 14.842  7.0063  63.116     66.016   111.586    89.613   5.5951     97.622   15.870  7.6687  13.369  6.7210  2.501079       10.19707 
1 1 1 -29 -12 44 o 12.231  6.0998  -19.2488   73.085   -14.3288   79.409   -46.4980   186.882  12.537  6.2684  ?       ?       0.000000       6.268386 
1 1 1 -29 -12 45 o 12.078  6.0796  -34.9118   81.264   -78.5421   90.081   155.790    188.329  11.677  5.9327  ?       ?       0.000000       5.932675 
1 1 1 -29 -12 46 o 14.709  6.9658  71.668     66.240   23.395     93.600   120.102    93.756   13.217  6.6363  15.328  7.5041  -2.110499      10.01758 
1 1 1 -29 -12 47 o 13.909  6.6731  57.924     65.014   34.756     86.879   87.411     98.013   13.154  6.5741  14.141  7.0542  -0.9869556     9.642579 
1 1 1 -29 -12 48 o 13.774  6.6276  62.948     65.219   40.619     86.210   92.829     99.728   12.970  6.4919  13.845  6.9375  -0.8749189     9.501260 
1 1 1 -29 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -11 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -11 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -11 5  o 13.571  5.6873  34.130     31.511   0.0000     0.0000   34.130     31.511   ?       ?       13.571  5.6873  0.000000       5.687328 
1 1 1 -29 -11 6  o 14.753  5.9622  44.695     33.026   67.348     73.587   38.981     36.958   15.064  7.1929  14.032  6.0294  1.032798       9.385657 
1 1 1 -29 -11 7  o 14.409  6.6801  45.923     55.663   0.0000     0.0000   45.923     55.663   ?       ?       14.409  6.6801  0.000000       6.680071 
1 1 1 -29 -11 8  o 14.023  6.1727  38.106     40.739   107.859    87.577   18.843     46.021   16.279  7.7931  12.831  5.9907  3.448422       9.829591 
1 1 1 -29 -11 9  o 20.310  7.6539  114.722    51.383   109.327    105.302  116.408    58.866   15.905  7.8206  19.159  7.8776  -3.253670      11.10038 
1 1 1 -29 -11 10 o 17.388  7.3093  84.170     52.308   85.899     107.831  83.638     59.817   15.456  7.6571  16.753  7.4217  -1.297163      10.66362 
1 1 1 -29 -11 11 o 12.556  5.9434  8.9431     48.113   79.469     105.487  -9.5824    54.064   15.451  7.6404  12.085  5.8679  3.365964       9.633717 
1 1 1 -29 -11 12 o 8.6975  4.3697  -76.3369   40.919   6.0876     101.651  -92.2762   44.701   14.059  7.0387  8.7531  4.4186  5.305985       8.310686 
1 1 1 -29 -11 13 o 12.734  6.2172  -7.2504    63.060   -78.6591   131.184  14.209     71.914   ?       ?       13.742  6.6939  0.000000       6.693929 
1 1 1 -29 -11 14 o 15.120  7.2441  51.532     76.037   21.596     146.255  62.621     89.013   14.828  7.5359  15.428  7.4997  -0.5998182     10.63179 
1 1 1 -29 -11 15 o 12.022  5.6428  3.5051     41.750   87.728     57.505   -90.3733   60.712   17.651  7.5511  10.426  5.2487  7.225852       9.196053 
1 1 1 -29 -11 16 o 36.805  6.4142  252.323    55.199   283.831    82.445   226.724    74.314   29.397  9.8319  26.654  9.3221  2.742809       13.54871 
1 1 1 -29 -11 17 o 18.700  7.5321  93.138     52.518   73.468     76.151   110.980    72.524   16.120  7.5838  18.115  8.0896  -1.995092      11.08857 
1 1 1 -29 -11 18 f 15.929  7.2355  62.310     60.903   19.393     74.659   147.681    105.297  14.165  6.8817  17.777  8.5193  -3.612501      10.95156 
1 1 1 -29 -11 19 o 16.908  8.2020  116.548    104.985  191.426    271.995  103.439    113.804  ?       ?       16.397  8.0755  0.000000       8.075455 
1 1 1 -29 -11 20 o 21.964  9.7888  256.221    105.622  25.188     260.910  301.504    115.510  ?       ?       22.545  10.128  0.000000       10.12831 
1 1 1 -29 -11 21 f 18.731  7.7644  99.827     57.818   140.552    80.540   56.521     83.053   19.145  8.5389  15.464  7.4500  3.680853       11.33198 
1 1 1 -29 -11 22 o 23.475  8.4477  157.498    61.400   109.686    86.298   206.515    87.379   17.299  8.1176  22.079  9.3729  -4.779984      12.39947 
1 1 1 -29 -11 23 o 30.881  11.663  469.951    119.474  760.025    153.053  17.494     191.151  36.111  13.286  ?       ?       0.000000       13.28574 
1 1 1 -29 -11 24 o 14.996  7.2559  44.807     80.872   101.122    218.388  35.858     87.062   ?       ?       14.773  7.2321  0.000000       7.232111 
1 1 1 -29 -11 25 o 16.519  7.4598  76.203     63.613   93.348     86.856   56.365     93.427   16.511  7.8644  15.293  7.4879  1.218155       10.85900 
1 1 1 -29 -11 26 o 13.087  6.3161  5.0162     60.351   63.439     80.068   -71.8360   91.833   15.512  7.4324  12.544  6.3325  2.967353       9.764278 
1 1 1 -29 -11 27 f 12.530  6.0413  -1.5679    54.890   19.128     67.552   -41.7861   94.170   13.790  6.6622  13.084  6.5806  0.7060938      9.364238 
1 1 1 -29 -11 28 o 16.283  7.4160  76.771     64.524   63.914     85.576   93.711     98.228   15.316  7.4240  15.990  7.7966  -0.6745024     10.76581 
1 1 1 -29 -11 29 o 14.525  7.0636  40.698     79.157   112.309    91.676   -169.1077  156.919  16.612  7.9580  ?       ?       0.000000       7.958036 
1 1 1 -29 -11 30 o 16.992  8.0030  118.436    85.240   83.356     99.154   217.786    166.864  15.490  7.6109  16.390  8.3008  -0.9002686     11.26185 
1 1 1 -29 -11 31 o 20.507  8.4578  152.531    68.113   65.570     90.071   268.683    104.097  15.034  7.3592  21.249  9.5742  -6.215543      12.07568 
1 1 1 -29 -11 32 o 14.124  6.7538  38.414     65.363   -6.2427    83.665   108.367    104.713  13.151  6.5534  15.766  7.7610  -2.614548      10.15775 
1 1 1 -29 -11 33 o 12.090  5.9655  -17.7891   63.103   -42.9972   80.557   22.242     101.516  12.240  6.1470  13.935  6.9849  -1.695065      9.304568 
1 1 1 -29 -11 34 o 14.375  6.8468  47.855     65.807   49.329     85.515   45.715     103.050  14.380  7.0661  14.305  7.1507  0.7541656E-01  10.05294 
1 1 1 -29 -11 35 o 14.683  7.3780  73.567     116.849  366.704    255.263  -4.1413    131.427  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -11 36 o 14.472  7.2890  62.761     117.829  5.1219     258.319  77.904     132.406  ?       ?       14.624  7.4049  0.000000       7.404850 
1 1 1 -29 -11 37 o 14.615  6.9635  57.185     68.196   110.403    87.741   -24.0227   108.385  15.984  7.6899  13.132  6.6548  2.851500       10.16960 
1 1 1 -29 -11 38 o 13.292  6.4648  21.439     66.356   28.932     85.886   10.343     104.518  13.753  6.8172  13.579  6.8426  0.1743298      9.658946 
1 1 1 -29 -11 39 o 17.291  7.8507  118.285    71.591   123.511    93.530   110.892    111.249  16.166  7.8171  15.346  7.6322  0.8200216      10.92515 
1 1 1 -29 -11 40 o 10.250  5.1898  -99.9747   64.971   -143.0014  75.021   29.110     129.943  ?       ?       14.042  7.1333  0.000000       7.133297 
1 1 1 -29 -11 41 o 15.364  7.1964  72.325     67.300   35.553     91.366   115.942    99.507   14.020  6.9633  15.839  7.7493  -1.819146      10.41822 
1 1 1 -29 -11 42 o 11.091  5.5220  -42.8610   58.889   -121.6431  82.564   38.722     84.019   ?       ?       14.049  6.9229  0.000000       6.922879 
1 1 1 -29 -11 43 o 12.453  6.0890  0.1980     61.168   7.4727     79.311   -10.4812   96.093   13.166  6.5306  13.131  6.6099  0.3472614E-01  9.291917 
1 1 1 -29 -11 44 o 16.565  7.9150  134.535    89.440   74.413     99.431   389.414    204.725  14.651  7.2748  ?       ?       0.000000       7.274782 
1 1 1 -29 -11 45 o 13.931  6.8754  46.503     83.996   37.866     92.649   86.373     199.053  13.747  6.8576  ?       ?       0.000000       6.857590 
1 1 1 -29 -11 46 o 12.663  6.1826  15.867     62.370   -9.5000    85.788   44.308     90.838   12.550  6.3079  13.661  6.8108  -1.111359      9.283091 
1 1 1 -29 -11 47 o 10.436  5.2278  -47.0901   56.432   -59.2077   74.970   -31.2485   85.719   11.138  5.6325  11.963  6.0474  -0.8251209     8.264098 
1 1 1 -29 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -10 4  o 12.996  5.8463  26.310     38.639   0.0000     0.0000   26.310     38.639   ?       ?       12.996  5.8463  0.000000       5.846262 
1 1 1 -29 -10 5  f 11.625  5.0715  16.347     26.960   13.681     51.172   17.371     31.719   12.727  6.0549  12.022  5.3606  0.7049160      8.086859 
1 1 1 -29 -10 6  o 16.743  7.2583  80.720     54.504   177.467    126.645  58.727     60.382   16.625  8.2474  15.105  6.9869  1.520052       10.80908 
1 1 1 -29 -10 7  o 11.949  5.4961  11.543     36.611   -206.9399  120.894  33.603     38.415   ?       ?       13.710  6.0155  0.000000       6.015468 
1 1 1 -29 -10 8  o 21.494  7.6370  121.244    50.029   144.399    91.739   111.443    59.686   17.653  8.3106  18.790  7.8472  -1.137362      11.42996 
1 1 1 -29 -10 9  o 12.619  5.9525  10.530     47.494   1.5638     99.677   13.164     54.021   13.888  6.9555  13.037  6.2077  0.8505907      9.322798 
1 1 1 -29 -10 10 o 11.093  5.3070  -10.4532   40.472   -121.5301  98.898   11.890     44.356   ?       ?       12.582  5.8768  0.000000       5.876794 
1 1 1 -29 -10 11 o 16.968  7.0832  71.812     48.603   -0.1163    111.949  88.518     53.953   14.220  7.1549  17.941  7.4739  -3.720877      10.34657 
1 1 1 -29 -10 12 o 18.147  8.1131  114.357    73.172   80.232     119.463  134.848    92.569   15.712  7.8298  17.818  8.3757  -2.105318      11.46554 
1 1 1 -29 -10 13 o 16.154  7.1103  63.276     54.045   51.334     66.547   86.413     92.625   15.269  7.1531  16.259  7.8415  -0.9903498     10.61391 
1 1 1 -29 -10 14 o 17.853  7.2512  79.508     49.114   31.895     71.850   121.267    67.289   14.566  6.9956  19.341  8.2183  -4.774676      10.79257 
1 1 1 -29 -10 15 o 21.813  7.8513  122.867    53.040   119.135    76.857   126.260    73.291   18.404  8.2653  19.124  8.3518  -0.7192535     11.75027 
1 1 1 -29 -10 16 o 13.558  6.3368  18.993     51.708   7.0578     70.587   32.814     75.961   13.755  6.6845  14.743  7.1083  -0.9888802     9.757607 
1 1 1 -29 -10 17 o 13.295  6.2952  11.274     54.061   6.7277     72.617   16.925     80.971   13.833  6.7357  14.362  7.0191  -0.5286856     9.728145 
1 1 1 -29 -10 18 o 17.171  8.2680  114.548    101.940  -44.5690   265.206  142.133    110.424  ?       ?       17.687  8.5380  0.000000       8.537976 
1 1 1 -29 -10 19 o 14.873  7.3659  24.051     99.448   -149.7831  276.843  49.806     106.561  ?       ?       15.486  7.6615  0.000000       7.661520 
1 1 1 -29 -10 20 o 14.211  6.9369  12.953     78.383   -152.8480  273.938  27.738     81.803   ?       ?       14.722  7.1641  0.000000       7.164117 
1 1 1 -29 -10 21 o 20.194  8.0709  117.215    59.794   58.866     84.625   175.387    84.497   15.711  7.5572  20.986  9.0674  -5.274817      11.80377 
1 1 1 -29 -10 22 f 13.138  6.2567  7.0453     54.915   29.313     75.217   -18.3724   80.362   14.636  7.0607  13.399  6.6334  1.236697       9.687915 
1 1 1 -29 -10 23 o 11.714  5.7481  -31.2046   55.978   -102.8017  77.215   48.113     81.271   11.457  5.7863  15.297  7.3695  -3.839987      9.369727 
1 1 1 -29 -10 24 o 27.907  8.5261  200.488    63.054   161.023    85.148   248.410    93.827   19.897  8.8328  23.730  9.8683  -3.832891      13.24391 
1 1 1 -29 -10 25 o 40.305  7.6820  344.661    72.386   404.186    97.957   273.058    107.436  34.707  10.631  22.502  9.9587  12.20448       14.56680 
1 1 1 -29 -10 26 o 30.335  9.1007  254.832    72.318   214.965    105.045  290.753    99.711   20.082  9.2633  24.811  10.233  -4.728689      13.80301 
1 1 1 -29 -10 27 o 17.550  7.8285  97.572     67.711   109.713    90.171   81.875     102.529  16.984  8.0678  15.879  7.7891  1.105513       11.21430 
1 1 1 -29 -10 28 o 11.960  5.9833  -55.4013   72.791   -23.5057   82.200   -171.2916  156.686  13.084  6.5159  ?       ?       0.000000       6.515915 
1 1 1 -29 -10 29 o 12.919  6.4312  -24.0168   79.726   -27.4231   89.596   -11.0613   174.734  13.173  6.5972  ?       ?       0.000000       6.597160 
1 1 1 -29 -10 30 o 12.475  6.2393  -39.7606   78.926   15.650     89.898   -226.1014  164.856  14.001  6.9461  ?       ?       0.000000       6.946057 
1 1 1 -29 -10 31 o 19.130  8.3056  137.930    71.583   211.084    95.024   41.950     108.844  20.121  9.0989  14.595  7.3036  5.525566       11.66764 
1 1 1 -29 -10 32 o 11.849  5.9101  -41.3643   68.705   -70.1411   92.664   -6.2301    102.389  12.332  6.2389  13.609  6.8468  -1.277246      9.262958 
1 1 1 -29 -10 33 f 12.845  6.2865  1.8432     65.640   -49.7827   83.311   86.351     106.590  12.273  6.1749  15.261  7.5699  -2.987895      9.769001 
1 1 1 -29 -10 34 o 12.634  6.2380  -8.0675    69.388   41.880     83.904   -116.1427  123.422  14.262  7.0063  ?       ?       0.000000       7.006253 
1 1 1 -29 -10 35 o 13.772  6.9834  3.1004     120.690  10.109     253.014  1.0359     137.320  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -10 36 o 15.793  7.8732  139.687    121.315  357.379    267.079  83.095     136.174  ?       ?       14.759  7.4770  0.000000       7.476984 
1 1 1 -29 -10 37 o 13.745  6.6573  31.954     68.488   80.608     88.025   -42.6804   109.023  15.161  7.3895  12.956  6.5770  2.204287       9.892539 
1 1 1 -29 -10 38 o 12.433  6.1362  -8.7938    66.929   28.561     85.337   -68.4932   107.883  13.807  6.8353  ?       ?       0.000000       6.835332 
1 1 1 -29 -10 39 o 11.853  5.8960  -30.1632   66.490   -27.5522   84.576   -34.3881   107.584  12.600  6.3242  13.045  6.6127  -0.4448738     9.150042 
1 1 1 -29 -10 40 o 14.542  7.0233  53.965     74.950   78.900     89.523   -4.4735    137.050  15.127  7.3904  ?       ?       0.000000       7.390416 
1 1 1 -29 -10 41 f 12.847  6.2902  4.4220     65.923   83.470     85.855   -109.1291  102.901  15.381  7.4506  ?       ?       0.000000       7.450556 
1 1 1 -29 -10 42 o 12.229  5.9985  -8.6220    60.800   -45.5292   79.044   44.854     95.146   12.096  6.0765  14.291  7.0993  -2.194833      9.344731 
1 1 1 -29 -10 43 o 9.6450  4.8993  -119.5876  61.256   -199.8868  80.525   -9.3041    94.369   ?       ?       13.170  6.6191  0.000000       6.619145 
1 1 1 -29 -10 44 o 12.562  6.2960  -21.4526   82.348   -28.2676   90.161   12.833     202.229  12.649  6.3716  ?       ?       0.000000       6.371597 
1 1 1 -29 -10 45 o 11.903  5.9718  -36.1956   75.062   -76.4503   82.075   169.637    185.592  11.465  5.8078  ?       ?       0.000000       5.807836 
1 1 1 -29 -10 46 o 14.339  6.8186  59.926     64.755   88.593     82.570   14.124     104.369  14.912  7.2430  13.226  6.6848  1.685821       9.856304 
1 1 1 -29 -10 47 o 12.158  6.0006  4.2541     63.986   -26.5893   86.234   42.038     95.444   12.065  6.0962  13.365  6.7093  -1.299587      9.065169 
1 1 1 -29 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -9  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -9  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -9  4  o 10.718  4.8719  5.6858     27.672   37.409     72.489   0.2745     29.939   14.160  6.8560  10.538  4.8903  3.622768       8.421380 
1 1 1 -29 -9  5  o 12.744  5.8283  20.215     40.377   46.453     68.312   6.1271     50.057   14.547  6.9416  12.420  5.9310  2.126645       9.130284 
1 1 1 -29 -9  6  o 15.783  6.6010  57.188     42.324   -29.2373   123.958  68.594     45.030   13.717  6.9678  16.667  6.8758  -2.950494      9.789106 
1 1 1 -29 -9  7  o 19.262  6.9902  87.947     42.162   71.013     89.011   92.845     47.873   15.431  7.5008  18.872  7.3176  -3.440642      10.47903 
1 1 1 -29 -9  8  o 11.656  5.5160  -1.1281    41.380   121.173    88.548   -35.2992   46.805   17.249  8.1338  10.639  5.2277  6.609878       9.668896 
1 1 1 -29 -9  9  o 16.491  6.9768  65.842     48.150   87.141     105.752  60.272     54.081   15.894  7.8193  15.808  7.0273  0.8604145E-01  10.51307 
1 1 1 -29 -9  10 o 12.834  6.0149  11.715     47.144   57.722     109.123  1.1572     52.274   15.349  7.6214  12.598  6.0281  2.751523       9.717231 
1 1 1 -29 -9  11 o 10.576  5.2252  -46.2940   48.952   -49.4962   200.032  -46.0901   50.487   ?       ?       10.727  5.3009  0.000000       5.300888 
1 1 1 -29 -9  12 o 12.214  5.8714  -7.7422    50.884   6.5758     62.920   -34.8059   86.505   13.431  6.4740  13.205  6.5936  0.2254620      9.240595 
1 1 1 -29 -9  13 o 11.219  5.5153  -37.7681   52.308   7.3393     63.815   -130.1326  91.316   13.543  6.5259  11.836  6.0092  1.706898       8.871226 
1 1 1 -29 -9  14 o 9.8203  4.8985  -67.5255   47.249   -69.0890   59.620   -64.8853   77.474   10.953  5.4698  12.249  6.1344  -1.295933      8.218842 
1 1 1 -29 -9  15 o 14.214  6.5478  28.899     52.244   57.270     69.629   -7.6516    79.030   15.813  7.3784  13.708  6.7469  2.105384       9.998041 
1 1 1 -29 -9  16 o 14.416  6.6701  30.735     55.087   18.980     74.536   44.885     81.775   14.400  6.9669  15.372  7.4026  -0.9727802     10.16544 
1 1 1 -29 -9  17 o 15.741  7.2437  53.772     63.698   22.329     80.181   107.568    104.879  14.654  7.1222  17.099  8.2706  -2.444776      10.91458 
1 1 1 -29 -9  18 o 11.911  6.0401  -128.0121  90.267   28.008     263.733  -148.7143  96.069   ?       ?       11.924  6.0647  0.000000       6.064668 
1 1 1 -29 -9  19 o 13.996  6.9709  -18.5399   94.207   231.332    264.462  -54.8552   100.821  ?       ?       13.524  6.8027  0.000000       6.802651 
1 1 1 -29 -9  20 o 15.181  6.9190  43.387     56.288   69.451     75.155   10.090     84.947   16.379  7.6501  14.419  7.0764  1.960122       10.42109 
1 1 1 -29 -9  21 o 21.016  8.1195  122.109    58.775   185.062    77.414   36.439     90.308   23.098  9.1991  15.206  7.4278  7.891521       11.82348 
1 1 1 -29 -9  22 o 26.460  8.6227  185.221    63.550   205.571    86.941   161.872    93.125   22.766  9.4860  19.572  8.9122  3.193907       13.01583 
1 1 1 -29 -9  23 o 20.494  8.1905  122.274    61.574   121.203    83.399   123.557    91.292   18.319  8.3773  17.991  8.4124  0.3275452      11.87213 
1 1 1 -29 -9  24 o 13.331  6.3412  9.4250     56.079   43.615     75.294   -33.1684   84.039   15.192  7.2600  13.231  6.5889  1.961570       9.804097 
1 1 1 -29 -9  25 o 13.508  6.4486  11.420     59.088   -94.2193   82.165   124.567    85.035   11.906  6.0079  18.210  8.3757  -6.303656      10.30768 
1 1 1 -29 -9  26 o 20.383  8.4247  135.330    67.783   120.437    92.782   152.378    99.267   17.536  8.2865  18.366  8.6458  -0.8294716     11.97560 
1 1 1 -29 -9  27 o 42.140  8.0013  390.628    78.820   107.538    109.563  694.297    113.475  16.536  8.0990  52.641  9.2201  -36.10555      12.27208 
1 1 1 -29 -9  28 o 11.269  5.6991  -106.3039  76.859   -118.1322  85.881   -58.7113   172.269  11.592  5.8795  ?       ?       0.000000       5.879479 
1 1 1 -29 -9  29 o 13.367  6.6292  -10.5200   81.583   12.810     92.972   -88.6244   170.112  14.165  7.0335  ?       ?       0.000000       7.033463 
1 1 1 -29 -9  30 o 13.718  6.6481  17.638     68.536   93.578     96.184   -60.6889   97.683   16.057  7.8034  12.844  6.4893  3.213538       10.14909 
1 1 1 -29 -9  31 o 21.814  8.8468  176.829    72.991   137.355    95.624   231.937    112.984  17.280  8.2365  19.190  9.0907  -1.910164      12.26710 
1 1 1 -29 -9  32 o 15.786  7.3272  72.986     67.245   40.233     89.563   115.308    101.808  14.470  7.1336  16.237  7.9215  -1.767367      10.66012 
1 1 1 -29 -9  33 o 13.581  6.5750  21.544     66.619   64.027     84.877   -46.6177   107.512  15.033  7.3113  13.096  6.6354  1.937057       9.873390 
1 1 1 -29 -9  34 o 13.940  7.0543  7.0434     119.026  -371.0774  250.710  117.068    135.239  ?       ?       15.423  7.7733  0.000000       7.773285 
1 1 1 -29 -9  35 o 16.872  8.3292  191.353    123.562  405.536    268.243  133.666    139.211  ?       ?       15.506  7.8238  0.000000       7.823796 
1 1 1 -29 -9  36 o 13.007  6.3843  6.0651     69.232   -18.8234   87.575   47.539     113.050  12.915  6.4756  14.393  7.2354  -1.478748      9.710001 
1 1 1 -29 -9  37 o 13.275  6.4906  15.464     69.450   80.242     87.395   -95.5468   114.408  15.237  7.4126  ?       ?       0.000000       7.412571 
1 1 1 -29 -9  38 o 14.736  7.0437  57.690     70.978   126.629    90.522   -52.3418   114.362  16.580  7.9333  ?       ?       0.000000       7.933321 
1 1 1 -29 -9  39 o 15.909  7.5209  90.770     76.582   108.009    91.967   51.782     138.305  15.954  7.7238  14.442  7.3386  1.511487       10.65417 
1 1 1 -29 -9  40 o 12.772  6.2893  -1.9883    68.956   -66.1458   89.158   93.515     108.779  12.148  6.1433  15.257  7.5815  -3.109324      9.758062 
1 1 1 -29 -9  41 o 16.079  7.4621  86.210     69.723   185.213    93.104   -40.2131   105.210  18.729  8.6677  13.028  6.5972  5.701063       10.89270 
1 1 1 -29 -9  42 o 11.730  5.8309  -33.7121   64.571   -3.9717    85.079   -74.1176   99.167   13.178  6.5734  12.379  6.2829  0.7986546      9.093124 
1 1 1 -29 -9  43 o 14.528  7.1392  55.109     87.363   83.030     95.990   -79.6081   210.847  15.148  7.4518  ?       ?       0.000000       7.451782 
1 1 1 -29 -9  44 o 15.177  7.3316  79.834     81.768   81.176     89.910   73.416     196.641  15.054  7.3655  ?       ?       0.000000       7.365477 
1 1 1 -29 -9  45 o 12.070  5.9828  -14.7750   66.131   -35.9623   91.271   8.6419     95.953   12.442  6.2847  13.285  6.6767  -0.8433266     9.169252 
1 1 1 -29 -9  46 o 14.465  6.8728  63.013     65.526   32.701     83.477   111.671    105.763  13.430  6.6679  14.911  7.4201  -1.481245      9.975905 
1 1 1 -29 -9  47 o 12.967  6.5000  22.480     87.937   22.480     87.937   0.0000     0.0000   12.967  6.5000  ?       ?       0.000000       6.500000 
1 1 1 -29 -8  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -8  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -8  3  o 12.795  5.5410  25.072     31.700   0.0000     0.0000   25.072     31.700   ?       ?       12.795  5.5410  0.000000       5.541048 
1 1 1 -29 -8  4  o 12.576  5.5911  21.125     34.239   -31.5619   91.166   29.777     36.944   12.982  6.5223  13.401  5.8891  -0.4189367     8.787625 
1 1 1 -29 -8  5  o 17.030  7.3820  82.957     56.368   83.818     131.133  82.762     62.431   15.312  7.7095  16.623  7.4585  -1.311053      10.72691 
1 1 1 -29 -8  6  o 19.241  6.9868  87.097     42.130   2.3018     89.882   110.973    47.694   13.779  6.8543  21.042  7.4587  -7.262588      10.12982 
1 1 1 -29 -8  7  o 18.437  7.0082  80.964     43.314   117.936    91.367   70.247     49.193   17.113  8.1266  16.776  7.0722  0.3362923      10.77298 
1 1 1 -29 -8  8  o 16.907  6.9766  68.298     46.374   -49.9175   99.573   101.042    52.405   13.230  6.6684  19.387  7.6167  -6.156616      10.12330 
1 1 1 -29 -8  9  o 14.624  6.6390  39.157     51.179   -62.5374   194.110  46.754     53.056   ?       ?       15.108  6.8186  0.000000       6.818598 
1 1 1 -29 -8  10 f 34.694  6.4239  222.665    52.086   326.625    77.148   135.585    70.607   36.570  8.8008  20.075  8.4683  16.49420       12.21340 
1 1 1 -29 -8  11 o 10.497  5.2089  -56.1262   50.648   -62.4666   58.549   -37.2741   100.958  11.024  5.4916  13.704  6.8822  -2.679419      8.804637 
1 1 1 -29 -8  12 o 10.024  5.0410  -92.2457   55.226   -70.0226   60.858   -195.9090  131.440  11.050  5.5194  ?       ?       0.000000       5.519406 
1 1 1 -29 -8  13 o 10.907  5.3080  -29.3744   44.925   86.912     67.442   -122.1320  60.234   17.491  7.8066  9.8966  5.0094  7.594163       9.275569 
1 1 1 -29 -8  14 o 13.937  6.4343  23.457     50.844   38.038     69.845   7.0210     74.156   15.086  7.1469  14.062  6.8381  1.023717       9.891333 
1 1 1 -29 -8  15 o 17.054  7.4124  71.272     57.140   103.873    78.273   34.078     83.606   18.002  8.1871  15.161  7.3463  2.840816       10.99990 
1 1 1 -29 -8  16 o 30.932  8.5034  227.600    65.801   166.878    92.285   290.397    93.849   20.177  9.0594  27.853  10.374  -7.676109      13.77272 
1 1 1 -29 -8  17 f 14.640  7.2360  5.5930     94.268   -325.3970  268.596  52.091     100.672  ?       ?       15.845  7.7615  0.000000       7.761486 
1 1 1 -29 -8  18 o 19.384  9.1642  186.042    113.737  58.214     288.613  209.543    123.751  ?       ?       19.505  9.3170  0.000000       9.317040 
1 1 1 -29 -8  19 f 13.143  6.5403  -42.2608   82.170   -114.3863  265.487  -34.6196   86.413   ?       ?       13.494  6.7137  0.000000       6.713730 
1 1 1 -29 -8  20 o 14.159  6.6552  21.345     58.415   -43.9242   76.089   115.034    91.161   12.798  6.3564  17.981  8.4073  -5.182473      10.53974 
1 1 1 -29 -8  21 f 36.301  8.2820  293.319    71.336   352.027    96.973   224.083    105.310  32.035  10.662  21.513  9.6674  10.52144       14.39207 
1 1 1 -29 -8  22 o 13.014  6.2775  -5.5196    59.421   52.105     80.362   -75.0306   88.261   15.733  7.5135  12.717  6.3928  3.016066       9.865097 
1 1 1 -29 -8  23 o 19.547  8.0759  110.050    62.252   146.529    86.806   71.426     89.322   19.494  8.7668  16.311  7.8246  3.182632       11.75080 
1 1 1 -29 -8  24 o 14.371  6.7726  26.611     61.222   35.939     85.372   16.735     87.842   15.132  7.3535  14.633  7.1843  0.4995766      10.28046 
1 1 1 -29 -8  25 o 11.194  5.5671  -58.9081   59.170   7.7209     87.269   -115.6005  80.499   14.330  7.0600  11.501  5.8181  2.828863       9.148457 
1 1 1 -29 -8  26 o 15.299  7.0769  47.965     61.951   -13.3149   87.588   109.311    87.635   13.771  6.8363  17.469  8.1917  -3.697479      10.66955 
1 1 1 -29 -8  27 o 17.563  8.0607  104.247    78.176   107.309    91.855   96.201     148.899  17.116  8.1341  16.016  8.0825  1.100441       11.46696 
1 1 1 -29 -8  28 o 9.9174  5.0287  -126.2547  62.537   -122.1628  71.143   -140.1664  131.178  10.660  5.4009  ?       ?       0.000000       5.400876 
1 1 1 -29 -8  29 o 16.911  7.7142  88.549     70.161   137.291    78.954   -94.4464   152.984  18.901  8.4405  ?       ?       0.000000       8.440459 
1 1 1 -29 -8  30 o 18.974  8.0936  119.050    65.727   122.141    88.329   115.215    98.386   17.369  8.1703  16.723  8.0694  0.6461391      11.48348 
1 1 1 -29 -8  31 o 16.885  7.5184  85.305     62.159   75.742     77.449   102.615    104.200  15.829  7.5067  16.082  7.8812  -0.2524195     10.88416 
1 1 1 -29 -8  32 o 11.881  5.8360  -21.7792   58.182   -19.8232   69.570   -26.3307   106.122  12.519  6.1929  13.481  6.8058  -0.9625053     9.201704 
1 1 1 -29 -8  33 o 12.030  5.8681  -11.8103   55.818   -45.8543   66.422   70.020     102.979  11.646  5.8089  15.107  7.4842  -3.461177      9.473996 
1 1 1 -29 -8  34 o 13.569  6.8600  -15.9214   110.605  -10.0520   249.544  -17.3563   123.387  ?       ?       13.731  6.9728  0.000000       6.972805 
1 1 1 -29 -8  35 f 18.020  8.7976  245.438    126.213  240.417    274.232  246.788    142.164  ?       ?       17.220  8.5745  0.000000       8.574521 
1 1 1 -29 -8  36 o 10.299  5.1651  -68.1726   55.855   -48.1652   66.400   -116.5914  103.294  11.490  5.7429  ?       ?       0.000000       5.742916 
1 1 1 -29 -8  37 o 12.142  5.9393  -8.8665    58.353   -9.4226    69.569   -7.5469    107.176  12.598  6.2248  13.518  6.8262  -0.9201384     9.238223 
1 1 1 -29 -8  38 o 12.792  6.2029  7.8934     59.872   18.130     67.404   -30.3816   130.336  13.359  6.5015  ?       ?       0.000000       6.501460 
1 1 1 -29 -8  39 f 13.181  6.3627  16.836     61.317   -41.7751   72.811   159.783    113.709  11.954  5.9809  16.599  8.1544  -4.644082      10.11263 
1 1 1 -29 -8  40 o 8.9208  4.5289  -116.0543  51.802   -132.1838  61.339   -75.9374   96.736   ?       ?       12.307  6.2421  0.000000       6.242069 
1 1 1 -29 -8  41 o 31.145  9.0603  279.377    72.590   236.300    92.058   350.192    118.033  21.468  9.3684  22.246  10.093  -0.7786007     13.77062 
1 1 1 -29 -8  42 o 14.421  6.7274  45.670     57.847   101.287    70.163   -72.3779   102.219  16.837  7.6935  12.530  6.3614  4.306652       9.982842 
1 1 1 -29 -8  43 o 12.915  6.2667  10.552     61.397   21.112     64.685   -85.4858   195.070  13.377  6.4768  ?       ?       0.000000       6.476764 
1 1 1 -29 -8  44 o ?       ?       50.190     201.387  0.0000     0.0000   50.190     201.387  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -8  45 o 16.259  7.4173  94.010     64.884   28.793     83.163   195.469    103.727  13.567  6.7219  17.433  8.3809  -3.866214      10.74348 
1 1 1 -29 -8  46 o 12.281  6.1797  -22.8319   83.634   -22.8319   83.634   0.0000     0.0000   12.281  6.1797  ?       ?       0.000000       6.179710 
1 1 1 -29 -8  47 o ?       ?       86.971     303.379  86.971     303.379  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -7  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -29 -7  2  o 11.837  5.4827  8.8880     37.369   0.0000     0.0000   8.8880     37.369   ?       ?       11.837  5.4827  0.000000       5.482732 
1 1 1 -29 -7  3  o 15.787  6.2352  52.626     35.294   74.584     70.094   45.168     40.850   15.836  7.3935  14.767  6.3420  1.068295       9.740895 
1 1 1 -29 -7  4  o 8.9831  4.4151  -37.6838   33.448   39.306     58.707   -74.6876   40.700   14.390  6.7341  8.7036  4.3709  5.686222       8.028268 
1 1 1 -29 -7  5  o 9.1806  4.4769  -30.4965   32.417   118.695    124.941  -41.2647   33.566   16.154  8.0431  8.8770  4.3745  7.277368       9.155767 
1 1 1 -29 -7  6  o 14.380  6.2442  38.128     40.470   128.405    82.986   9.9585     46.356   18.090  8.3035  12.661  5.9438  5.428841       10.21161 
1 1 1 -29 -7  7  o 10.872  5.2058  -14.1646   39.138   -79.2148   85.131   3.2686     44.071   12.224  6.1617  12.215  5.7534  0.8930206E-02  8.430193 
1 1 1 -29 -7  8  o 23.752  7.1280  121.377    44.359   132.809    64.387   111.049    61.200   20.704  8.3396  19.349  8.0019  1.354540       11.55764 
1 1 1 -29 -7  9  o 22.545  7.4659  117.601    47.573   150.325    69.089   88.096     65.603   21.555  8.6542  17.481  7.7569  4.074476       11.62172 
1 1 1 -29 -7  10 o 14.788  6.6120  39.015     48.610   94.804     68.278   -18.3293   69.223   17.848  7.9169  13.005  6.3836  4.842744       10.16992 
1 1 1 -29 -7  11 o 15.464  7.1746  47.953     64.375   34.106     71.556   106.739    147.436  14.926  7.1173  16.531  8.3039  -1.605204      10.93662 
1 1 1 -29 -7  12 o 11.636  5.7716  -53.3675   61.952   -69.1119   68.559   16.703     144.634  11.716  5.8528  15.424  7.8021  -3.707831      9.753334 
1 1 1 -29 -7  13 o 16.462  7.0259  59.093     49.574   -12.6451   79.351   105.018    63.490   13.747  6.7650  19.178  8.0567  -5.430590      10.52026 
1 1 1 -29 -7  14 o 14.136  6.5215  24.417     52.100   47.107     72.153   -0.2996    75.308   15.623  7.3597  13.987  6.8212  1.636478       10.03466 
1 1 1 -29 -7  15 o 21.363  8.0777  119.672    57.351   149.240    76.904   82.623     86.084   21.015  8.8499  16.993  8.0152  4.021976       11.93997 
1 1 1 -29 -7  16 o 10.680  5.3253  -71.6116   55.623   -95.5057   66.815   -17.6638   100.396  11.081  5.5691  14.391  7.1725  -3.310804      9.080709 
1 1 1 -29 -7  17 o 15.934  7.7969  49.783     100.821  497.284    264.470  -26.3109   109.057  ?       ?       14.464  7.2488  0.000000       7.248837 
1 1 1 -29 -7  18 o 15.448  7.6136  29.294     101.792  138.030    282.563  13.078     109.118  ?       ?       15.200  7.5597  0.000000       7.559694 
1 1 1 -29 -7  19 o 17.741  7.6566  80.101     60.110   37.779     80.457   133.566    90.431   15.417  7.4040  19.003  8.7025  -3.585840      11.42594 
1 1 1 -29 -7  20 o 14.210  6.7120  18.906     60.755   -30.7886   80.128   86.114     93.184   13.389  6.6276  17.017  8.1167  -3.628048      10.47883 
1 1 1 -29 -7  21 o 16.648  7.4284  65.031     61.017   164.988    83.518   -49.3998   89.360   21.206  9.0866  13.353  6.6722  7.853089       11.27317 
1 1 1 -29 -7  22 o 10.582  5.2742  -69.6269   54.317   -43.6085   72.961   -101.9756  81.354   12.661  6.2775  11.920  6.0105  0.7413654      8.690914 
1 1 1 -29 -7  23 o 14.899  6.8278  36.884     55.806   83.594     74.298   -23.5818   84.533   17.205  7.8823  13.657  6.7686  3.547692       10.38961 
1 1 1 -29 -7  24 o 12.592  6.0486  -7.3039    53.766   -0.6290    70.892   -16.3420   82.492   13.717  6.6736  13.711  6.7756  0.5328178E-02  9.510312 
1 1 1 -29 -7  25 o 14.841  6.8348  37.472     56.871   -68.7039   75.265   178.763    86.823   12.107  6.0607  21.182  9.1717  -9.074832      10.99327 
1 1 1 -29 -7  26 o 11.417  5.6085  -36.6576   53.758   -59.7959   71.404   -6.3816    81.679   12.029  6.0036  13.817  6.8119  -1.788296      9.079937 
1 1 1 -29 -7  27 o 16.612  7.7005  78.656     73.928   105.985    84.872   -7.2920    150.511  17.429  8.1367  ?       ?       0.000000       8.136685 
1 1 1 -29 -7  28 o 14.003  6.7458  18.070     68.073   -33.8444   76.365   218.943    150.214  12.789  6.3546  17.749  8.8339  -4.959239      10.88208 
1 1 1 -29 -7  29 o 17.612  8.0545  108.035    77.117   163.201    88.177   -71.4211   159.036  19.456  8.7847  ?       ?       0.000000       8.784695 
1 1 1 -29 -7  30 o 15.946  7.2025  64.852     59.344   -51.0397   73.792   277.028    99.846   12.128  6.0609  23.568  10.013  -11.43993      11.70417 
1 1 1 -29 -7  31 f 11.761  5.7694  -24.2548   56.246   -62.5127   68.809   52.791     97.646   11.531  5.7757  15.017  7.4119  -3.486369      9.396523 
1 1 1 -29 -7  32 o 15.680  7.1659  64.994     60.902   45.103     78.361   95.339     96.785   14.675  7.1111  15.973  7.7775  -1.298306      10.53835 
1 1 1 -29 -7  33 o 16.111  8.0260  134.616    125.114  578.987    295.189  37.307     138.135  ?       ?       14.617  7.4181  0.000000       7.418134 
1 1 1 -29 -7  34 o 16.673  8.2310  163.478    120.699  248.113    270.229  142.385    134.903  ?       ?       15.935  7.9965  0.000000       7.996518 
1 1 1 -29 -7  35 o 15.240  7.6241  90.084     118.208  379.287    264.179  17.686     132.178  ?       ?       14.205  7.2140  0.000000       7.213993 
1 1 1 -29 -7  36 o 17.437  7.7021  102.893    63.963   135.414    77.918   35.696     112.003  18.007  8.1814  14.308  7.1938  3.698779       10.89429 
1 1 1 -29 -7  37 o 14.477  6.8203  47.248     61.987   48.598     74.901   44.314     110.427  14.494  7.0055  14.419  7.2356  0.7505798E-01  10.07132 
1 1 1 -29 -7  38 o 10.673  5.3309  -56.3710   56.774   -36.4774   63.641   -133.9196  125.651  11.636  5.7847  ?       ?       0.000000       5.784656 
1 1 1 -29 -7  39 o 14.375  6.7880  44.640     62.051   74.155     74.779   -20.6084   111.185  15.440  7.3380  13.453  6.8090  1.987446       10.01046 
1 1 1 -29 -7  40 o 13.317  6.3117  22.708     54.599   21.675     64.438   25.335     102.803  13.506  6.5204  14.115  7.0683  -0.6086483     9.616451 
1 1 1 -29 -7  41 o 17.807  7.8209  109.095    65.077   38.124     80.935   238.894    109.455  14.264  6.9809  19.317  9.0890  -5.052999      11.46048 
1 1 1 -29 -7  42 o 11.126  5.5044  -35.9669   55.025   -1.4640    65.502   -118.6977  101.428  12.740  6.2445  ?       ?       0.000000       6.244511 
1 1 1 -29 -7  43 o ?       ?       -27.2505   198.092  0.0000     0.0000   -27.2505   198.092  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -7  44 o 17.468  7.8855  120.112    71.005   126.192    75.467   73.203     209.608  17.386  7.9576  ?       ?       0.000000       7.957553 
1 1 1 -29 -7  45 o 9.7510  4.9306  -91.7435   57.334   -91.7435   57.334   0.0000     0.0000   9.7510  4.9306  ?       ?       0.000000       4.930634 
1 1 1 -29 -7  46 o 14.702  6.9908  71.371     68.036   71.371     68.036   0.0000     0.0000   14.702  6.9908  ?       ?       0.000000       6.990756 
1 1 1 -29 -7  47 o 12.506  6.3466  -11.2539   101.017  -84.5043   276.809  0.0002     108.500  ?       ?       12.738  6.4753  0.000000       6.475281 
1 1 1 -29 -6  1  f 14.281  6.2313  39.826     40.718   0.0000     0.0000   39.826     40.718   ?       ?       14.281  6.2313  0.000000       6.231345 
1 1 1 -29 -6  2  f 7.7221  3.8137  -38.9665   25.998   41.758     50.830   -67.5647   30.254   14.453  6.5824  7.4042  3.7247  7.048371       7.563117 
1 1 1 -29 -6  3  o 13.971  6.2829  34.040     44.583   64.865     76.981   18.483     54.688   15.440  7.3678  13.340  6.3211  2.099142       9.707832 
1 1 1 -29 -6  4  o 15.376  6.2661  48.268     36.833   28.120     96.521   51.702     39.848   14.530  7.2068  15.597  6.4540  -1.066485      9.674288 
1 1 1 -29 -6  5  o 8.3608  4.1120  -38.1876   29.174   50.020     78.153   -52.4692   31.447   15.135  7.2760  8.1538  4.0557  6.981603       8.329974 
1 1 1 -29 -6  6  o 12.857  5.7300  20.167     36.193   82.219     53.501   -32.1913   49.145   17.691  7.4122  11.082  5.4270  6.609756       9.186569 
1 1 1 -29 -6  7  o 22.308  7.1190  108.790    43.473   141.436    61.726   76.661     61.236   22.038  8.3688  16.930  7.5043  5.108383       11.24055 
1 1 1 -29 -6  8  o 13.644  6.1302  25.278     42.330   42.922     58.903   6.4351     60.873   15.083  6.9498  13.442  6.4513  1.640583       9.482605 
1 1 1 -29 -6  9  o ?       ?       -117.5266  32.765   -51.6910   49.615   -168.4412  43.632   10.583  5.2343  ?       ?       0.000000       5.234306 
1 1 1 -29 -6  10 o 10.431  5.2267  -82.5689   56.587   -67.7014   62.346   -152.0853  134.813  11.292  5.6316  ?       ?       0.000000       5.631628 
1 1 1 -29 -6  11 o 17.990  7.9879  93.786     69.671   91.810     81.277   99.259     135.288  17.401  8.0691  16.711  8.3280  0.6906319      11.59595 
1 1 1 -29 -6  12 o 21.228  7.5870  106.051    49.446   126.272    73.706   89.504     66.676   19.814  8.5145  17.969  7.9037  1.845078       11.61748 
1 1 1 -29 -6  13 o 14.797  6.5848  35.864     47.606   47.723     71.283   26.315     63.962   15.727  7.3793  14.664  6.9142  1.063794       10.11236 
1 1 1 -29 -6  14 f 20.324  7.9902  108.197    57.709   123.465    79.414   91.112     84.005   19.312  8.5537  17.499  8.1446  1.813055       11.81103 
1 1 1 -29 -6  15 o 25.235  8.5080  162.940    61.741   181.936    83.306   139.789    91.966   22.607  9.3415  19.325  8.8217  3.282799       12.84854 
1 1 1 -29 -6  16 o 15.179  7.4647  17.539     96.077   169.382    255.562  -7.4536    103.683  ?       ?       14.782  7.3546  0.000000       7.354638 
1 1 1 -29 -6  17 o 17.715  8.4804  108.832    103.703  61.930     269.085  117.014    112.385  ?       ?       17.750  8.5798  0.000000       8.579753 
1 1 1 -29 -6  18 o 13.590  6.4469  6.6585     57.217   -50.5390   76.818   77.932     85.751   12.827  6.3734  17.004  8.0140  -4.176750      10.23937 
1 1 1 -29 -6  19 o 15.937  7.2058  50.755     59.567   103.004    80.991   -10.8092   87.914   18.215  8.3009  14.271  7.0415  3.943983       10.88519 
1 1 1 -29 -6  20 o 12.202  5.9228  -22.8816   54.972   -15.4876   73.128   -32.4890   83.358   13.548  6.6315  13.555  6.7186  -0.7510185E-02 9.440113 
1 1 1 -29 -6  21 o 11.494  5.6629  -45.7953   56.150   -38.3926   78.104   -53.7137   80.779   13.145  6.5130  12.921  6.4388  0.2233553      9.158504 
1 1 1 -29 -6  22 o 12.641  6.0820  -10.5252   54.906   -3.6474    70.869   -20.8529   86.842   13.759  6.6891  13.909  6.8873  -0.1500015     9.600939 
1 1 1 -29 -6  23 o 33.011  8.5293  253.445    68.806   187.271    92.319   336.140    103.201  21.405  9.3602  28.958  10.860  -7.552748      14.33704 
1 1 1 -29 -6  24 o 13.636  6.4961  8.9950     59.316   49.310     78.234   -45.5176   90.972   15.684  7.4688  13.436  6.7164  2.248697       10.04452 
1 1 1 -29 -6  25 o 16.988  7.4571  71.898     59.088   41.203     80.587   107.589    86.897   15.333  7.3750  17.744  8.2668  -2.411058      11.07840 
1 1 1 -29 -6  26 o 12.191  5.8733  -12.1311   51.606   31.729     73.312   -55.2122   72.657   14.826  7.1060  12.243  6.1016  2.583403       9.366167 
1 1 1 -29 -6  27 o 17.715  8.1026  103.765    78.056   113.858    89.377   71.323     160.244  17.632  8.2696  15.848  8.0374  1.783886       11.53199 
1 1 1 -29 -6  28 o 14.126  6.8614  15.923     74.128   8.8068     84.281   40.237     155.787  14.165  6.9709  15.376  7.8110  -1.211668      10.46922 
1 1 1 -29 -6  29 o 11.921  5.8220  -21.9997   55.415   -11.3747   71.362   -38.1382   87.950   13.115  6.4467  13.118  6.5644  -0.2194405E-02 9.200576 
1 1 1 -29 -6  30 o 14.009  6.6121  27.480     58.754   -22.5554   74.780   108.190    94.976   12.874  6.3779  16.747  8.0429  -3.872713      10.26476 
1 1 1 -29 -6  31 o 11.460  5.6367  -31.0816   54.875   -59.9352   68.503   20.589     91.672   11.588  5.7980  14.270  7.0679  -2.681814      9.141749 
1 1 1 -29 -6  32 o 13.288  6.3132  17.499     55.265   69.821     68.709   -78.3826   93.012   15.755  7.3438  12.365  6.2552  3.389690       9.646722 
1 1 1 -29 -6  33 o 15.699  7.7904  99.357     113.330  -139.9610  283.298  144.952    123.656  ?       ?       16.385  8.1317  0.000000       8.131651 
1 1 1 -29 -6  34 o 15.683  7.8483  114.303    125.723  0.0000     0.0000   114.303    125.723  ?       ?       15.683  7.8483  0.000000       7.848300 
1 1 1 -29 -6  35 o 12.170  5.9515  -10.8464   58.484   10.208     73.123   -48.2267   97.432   13.364  6.5602  12.811  6.4737  0.5530691      9.216566 
1 1 1 -29 -6  36 o 11.433  5.6621  -34.4313   58.752   -121.5141  71.117   152.769    104.270  10.416  5.2898  16.973  8.2192  -6.557261      9.774301 
1 1 1 -29 -6  37 o 13.722  6.5603  28.960     61.626   40.682     74.193   2.8783     110.671  14.272  6.9168  13.807  6.9680  0.4649258      9.818042 
1 1 1 -29 -6  38 o 19.614  8.3010  142.154    68.201   134.083    82.813   159.167    120.237  17.571  8.1467  16.471  8.1467  1.100002       11.52116 
1 1 1 -29 -6  39 o 15.306  7.1161  63.890     63.852   34.332     77.097   128.443    113.936  14.113  6.8868  16.048  7.9364  -1.935539      10.50784 
1 1 1 -29 -6  40 o 11.330  5.5669  -26.3014   53.051   -46.1872   62.197   26.801     101.637  11.360  5.6591  14.187  7.0932  -2.827174      9.074109 
1 1 1 -29 -6  41 o 13.538  6.4853  23.425     60.885   -23.6113   74.747   116.161    104.954  12.544  6.2418  16.069  7.8822  -3.524865      10.05430 
1 1 1 -29 -6  42 o 12.099  6.0123  -29.3354   68.426   -47.8347   72.523   120.660    206.507  11.864  5.9406  ?       ?       0.000000       5.940648 
1 1 1 -29 -6  43 o ?       ?       -227.0497  190.768  0.0000     0.0000   -227.0497  190.768  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -6  44 o 13.402  6.5053  24.264     66.323   24.264     66.323   0.0000     0.0000   13.402  6.5053  ?       ?       0.000000       6.505284 
1 1 1 -29 -6  45 f 10.016  5.0803  -104.2913  64.183   -104.2913  64.183   0.0000     0.0000   10.016  5.0803  ?       ?       0.000000       5.080349 
1 1 1 -29 -6  46 o 14.269  6.7664  59.199     62.903   30.719     73.146   140.061    123.253  13.231  6.5080  14.903  7.4997  -1.672291      9.929763 
1 1 1 -29 -5  1  o 15.863  6.1212  51.653     33.373   65.992     81.069   48.727     36.619   15.357  7.3894  15.310  6.2446  0.4751110E-01  9.674628 
1 1 1 -29 -5  2  f 17.314  7.1981  78.248     49.898   81.886     78.321   75.762     64.737   16.095  7.6080  16.249  7.4113  -0.1536064     10.62115 
1 1 1 -29 -5  3  o 19.097  7.8921  109.981    59.475   -159.2618  114.399  209.709    69.624   ?       ?       26.134  9.0298  0.000000       9.029758 
1 1 1 -29 -5  4  o 13.139  5.7753  24.431     35.551   -31.6140   122.366  29.598     37.153   14.042  7.1113  13.642  5.9525  0.4000235      9.273773 
1 1 1 -29 -5  5  f 9.4493  4.6019  -30.9273   33.940   -75.7346   49.504   8.8177     46.623   9.7886  4.9023  12.720  5.9682  -2.931860      7.723493 
1 1 1 -29 -5  6  o 12.134  5.6058  7.0080     38.702   6.0437     54.850   7.9642     54.617   13.100  6.2423  13.174  6.2640  -0.7444286E-01 8.843301 
1 1 1 -29 -5  7  o 15.377  6.5699  46.471     43.432   43.412     62.032   49.412     60.830   15.162  7.0375  15.475  7.1052  -0.3121071     10.00052 
1 1 1 -29 -5  8  o 16.890  6.9964  63.759     46.898   57.762     67.810   69.259     64.931   15.965  7.3916  16.617  7.5174  -0.6522369     10.54258 
1 1 1 -29 -5  9  o 14.744  6.8425  33.069     58.612   25.027     65.523   65.274     131.120  14.534  6.8962  16.123  8.0605  -1.589185      10.60799 
1 1 1 -29 -5  10 o 16.222  7.3746  58.663     63.427   39.766     71.260   130.723    139.153  15.327  7.2484  17.294  8.5905  -1.967793      11.23993 
1 1 1 -29 -5  11 o 15.506  6.7541  45.305     47.649   -29.4773   76.334   93.046     60.991   13.268  6.5492  18.660  7.8708  -5.392023      10.23922 
1 1 1 -29 -5  12 o 12.139  5.7319  -4.5831    44.248   43.320     66.380   -42.8891   59.359   15.551  7.2385  11.862  5.8400  3.688994       9.300649 
1 1 1 -29 -5  13 o 21.772  7.9484  116.999    54.630   83.435     76.247   152.406    78.311   17.456  7.9928  21.342  8.9560  -3.886045      12.00396 
1 1 1 -29 -5  14 o 17.427  7.3964  70.039     54.393   84.778     76.060   54.611     77.817   17.575  8.0228  16.190  7.6318  1.384201       11.07289 
1 1 1 -29 -5  15 o 16.190  7.7898  53.018     90.074   -137.7175  225.441  89.251     98.258   ?       ?       17.303  8.2755  0.000000       8.275489 
1 1 1 -29 -5  16 o 12.824  6.4439  -85.1605   89.224   -164.9709  242.119  -72.6190   95.978   ?       ?       13.367  6.7127  0.000000       6.712723 
1 1 1 -29 -5  17 o 17.227  8.3118  88.736     104.318  13.221     271.923  101.768    112.962  ?       ?       17.464  8.4801  0.000000       8.480060 
1 1 1 -29 -5  18 f 14.523  6.7529  24.485     57.518   67.452     80.139   -21.1652   82.604   16.752  7.8486  13.892  6.8493  2.859900       10.41701 
1 1 1 -29 -5  19 o 15.131  6.9744  35.315     59.392   6.4019     82.245   66.824     85.857   14.622  7.1305  16.663  7.9026  -2.040878      10.64401 
1 1 1 -29 -5  20 o 14.242  6.7012  18.033     59.494   24.083     79.957   10.529     89.051   15.087  7.2784  14.894  7.2964  0.1924372      10.30598 
1 1 1 -29 -5  21 o 17.740  7.7090  79.531     61.781   97.132     82.493   57.050     93.232   17.888  8.2360  16.235  7.8393  1.653059       11.37035 
1 1 1 -29 -5  22 o 14.873  6.8679  32.875     57.979   -37.9441   77.062   125.257    88.016   13.114  6.4929  18.854  8.6160  -5.739775      10.78855 
1 1 1 -29 -5  23 o 19.482  8.0825  105.902    62.728   127.050    83.829   78.994     94.559   19.104  8.6010  16.778  8.0492  2.325750       11.77992 
1 1 1 -29 -5  24 o 15.686  7.2138  49.180     63.041   77.356     81.263   6.5939     99.904   16.824  7.8890  14.822  7.3481  2.002021       10.78106 
1 1 1 -29 -5  25 o 13.404  6.4281  2.9372     60.184   -17.6949   79.396   30.806     92.275   13.587  6.7019  15.196  7.4406  -1.608522      10.01387 
1 1 1 -29 -5  26 o 13.553  6.6259  -6.4090    72.312   -24.0887   82.025   55.260     153.194  13.463  6.6716  15.840  8.0147  -2.376894      10.42816 
1 1 1 -29 -5  27 o 20.723  9.0511  172.165    86.098   200.165    99.340   87.639     172.601  20.643  9.3220  16.040  8.1550  4.603168       12.38562 
1 1 1 -29 -5  28 o 14.507  7.0048  26.498     74.440   34.359     83.720   -3.1830    162.676  14.892  7.2471  ?       ?       0.000000       7.247053 
1 1 1 -29 -5  29 o 9.6058  4.8431  -96.6871   52.754   -125.1055  67.422   -51.8204   84.715   10.343  5.2420  12.738  6.3844  -2.395146      8.260657 
1 1 1 -29 -5  30 o 20.345  8.2995  132.857    64.701   129.291    85.312   137.684    99.266   18.015  8.3232  17.563  8.3772  0.4521523      11.80904 
1 1 1 -29 -5  31 o 14.816  6.8909  45.534     59.956   35.575     80.463   57.967     89.902   14.549  7.0856  15.220  7.4294  -0.6713457     10.26651 
1 1 1 -29 -5  32 f 14.291  7.1761  15.346     109.516  253.436    293.921  -23.0377   118.014  ?       ?       13.834  7.0032  0.000000       7.003203 
1 1 1 -29 -5  33 o 14.036  7.0212  12.106     100.199  -238.5849  276.924  49.871     107.482  ?       ?       14.798  7.3826  0.000000       7.382636 
1 1 1 -29 -5  34 o 11.891  6.0480  -112.2177  95.631   -2.5685    276.036  -127.1733  101.945  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -5  35 o 18.982  8.0561  124.314    64.525   43.233     82.594   251.305    103.365  14.460  7.0716  20.632  9.3930  -6.172463      11.75736 
1 1 1 -29 -5  36 o 17.907  7.8149  108.855    64.071   112.917    80.359   101.766    106.155  16.886  7.8947  15.676  7.7353  1.209803       11.05267 
1 1 1 -29 -5  37 o 15.100  7.0226  58.806     62.262   4.6230     77.953   154.275    103.473  13.313  6.5804  17.079  8.2497  -3.765829      10.55268 
1 1 1 -29 -5  38 f 16.540  7.4299  84.885     62.147   28.840     76.475   193.864    106.641  13.962  6.8231  18.093  8.6444  -4.130783      11.01274 
1 1 1 -29 -5  39 o 18.735  7.8980  115.526    61.352   130.460    81.130   95.579     93.764   17.645  8.1397  15.815  7.6902  1.829924       11.19797 
1 1 1 -29 -5  40 o 20.634  8.2874  142.143    63.384   194.740    85.509   77.999     94.431   20.522  8.9903  15.378  7.5293  5.143710       11.72673 
1 1 1 -29 -5  41 o 14.757  6.7767  49.333     55.362   44.111     67.294   60.270     97.387   14.465  6.8988  14.894  7.3606  -0.4295273     10.08819 
1 1 1 -29 -5  42 o 14.907  7.0712  56.984     68.802   60.989     72.663   22.269     213.935  15.020  7.1649  ?       ?       0.000000       7.164946 
1 1 1 -29 -5  43 o 13.118  6.4220  10.084     68.640   10.084     68.640   0.0000     0.0000   13.118  6.4220  ?       ?       0.000000       6.422031 
1 1 1 -29 -5  44 o 12.587  6.2443  -8.0489    72.639   -8.0489    72.639   0.0000     0.0000   12.587  6.2443  ?       ?       0.000000       6.244277 
1 1 1 -29 -5  45 o 12.318  6.1536  -15.7767   75.802   -15.7767   75.802   0.0000     0.0000   12.318  6.1536  ?       ?       0.000000       6.153637 
1 1 1 -29 -5  46 o 13.516  6.8213  42.944     106.103  -3.3823    334.042  48.142     111.898  ?       ?       13.593  6.8746  0.000000       6.874576 
1 1 1 -29 -4  1  f 13.104  5.5662  26.943     30.846   67.748     70.344   17.229     34.322   15.705  7.3567  12.364  5.5399  3.341877       9.209287 
1 1 1 -29 -4  2  f 16.021  7.2206  66.202     59.259   290.043    133.878  11.660     66.086   19.611  9.4507  13.537  6.5521  6.074445       11.49977 
1 1 1 -29 -4  3  o 16.158  5.9576  50.564     30.800   42.587     43.611   58.502     43.505   14.799  6.4533  16.200  6.7268  -1.401001      9.321806 
1 1 1 -29 -4  4  o 11.839  5.3994  8.5128     34.354   15.004     46.068   0.3813     51.562   13.044  6.0578  12.603  6.0187  0.4404659      8.539375 
1 1 1 -29 -4  5  o 28.739  7.3256  172.695    51.235   76.845     71.885   271.660    73.044   16.616  7.6639  32.518  8.9674  -15.90148      11.79614 
1 1 1 -29 -4  6  o 25.660  7.4223  142.609    48.839   182.755    70.280   105.114    67.919   24.394  8.9985  18.558  8.0738  5.835833       12.08965 
1 1 1 -29 -4  7  o 11.604  5.4527  -3.8030    39.173   -23.5517   56.222   14.831     54.611   12.134  5.9122  13.647  6.4208  -1.513015      8.728131 
1 1 1 -29 -4  8  o 14.014  6.5710  19.505     56.364   36.648     62.654   -53.2505   129.072  15.025  7.0066  14.417  7.3012  0.6078262      10.11926 
1 1 1 -29 -4  9  o 11.977  5.8845  -37.5204   59.257   -47.3785   65.944   3.8304     135.057  12.166  6.0202  15.353  7.7417  -3.187361      9.806980 
1 1 1 -29 -4  10 o 11.866  5.6185  -7.5543    43.057   -6.8184    72.609   -7.9534    53.473   13.775  6.7136  12.683  6.0762  1.092256       9.055016 
1 1 1 -29 -4  11 f 12.435  5.8439  -0.6464    45.012   -7.3974    71.058   3.8779     58.171   13.733  6.6817  13.521  6.4390  0.2125387      9.279325 
1 1 1 -29 -4  12 o 10.240  4.9951  -36.8980   40.448   -11.5591   65.798   -52.2902   51.283   13.370  6.4873  10.889  5.3737  2.480825       8.423900 
1 1 1 -29 -4  13 o 21.239  8.0027  113.067    56.169   50.958     79.735   174.251    79.138   16.111  7.6335  22.986  9.2503  -6.875082      11.99330 
1 1 1 -29 -4  14 o 12.147  5.9269  -31.2294   57.062   -53.5517   74.722   0.0016     88.383   12.715  6.3120  14.686  7.2098  -1.972008      9.582458 
1 1 1 -29 -4  15 o 18.508  8.5867  114.524    92.212   -133.1413  232.851  160.589    100.422  ?       ?       20.007  9.1653  0.000000       9.165285 
1 1 1 -29 -4  16 o 12.345  6.2213  -106.1144  86.483   -80.2616   224.011  -110.6426  93.751   ?       ?       12.667  6.3949  0.000000       6.394934 
1 1 1 -29 -4  17 o 16.372  7.3319  55.237     60.027   56.205     82.785   54.164     87.165   16.385  7.7676  16.319  7.8022  0.6540680E-01  11.00955 
1 1 1 -29 -4  18 o 14.131  6.6636  13.954     59.430   4.8000     83.015   23.578     85.117   14.671  7.1563  15.286  7.4081  -0.6151772     10.30009 
1 1 1 -29 -4  19 o 10.423  5.1913  -71.9347   52.256   -63.0006   67.110   -85.6936   83.283   11.966  5.9477  12.514  6.2802  -0.5477314     8.649586 
1 1 1 -29 -4  20 o 18.347  7.9192  88.580     64.321   111.329    89.899   64.719     92.068   18.370  8.5071  16.590  7.9546  1.780275       11.64679 
1 1 1 -29 -4  21 o 14.506  6.8810  19.173     65.150   60.900     91.201   -24.3092   93.100   16.413  7.8821  14.177  7.0396  2.235158       10.56806 
1 1 1 -29 -4  22 o 13.771  6.6478  -0.3853    66.942   143.335    99.923   -117.4134  90.167   19.039  8.8686  12.265  6.2004  6.774135       10.82111 
1 1 1 -29 -4  23 o 14.567  6.9338  21.434     67.267   -55.1220   96.542   93.669     93.778   13.585  6.8097  17.332  8.2313  -3.747183      10.68297 
1 1 1 -29 -4  24 o 12.806  6.2792  -25.8213   66.432   6.8729     94.388   -57.9154   93.517   14.746  7.2796  13.357  6.6966  1.388689       9.891234 
1 1 1 -29 -4  25 o 20.365  9.0522  165.234    89.710   122.292    105.344  278.564    171.135  17.720  8.4996  18.763  9.3532  -1.042707      12.63826 
1 1 1 -29 -4  26 o 18.351  8.5044  126.562    90.077   148.586    105.715  68.197     172.093  18.383  8.7332  16.013  8.1414  2.370331       11.93950 
1 1 1 -29 -4  27 o 17.860  8.4106  123.215    94.098   68.360     112.362  252.024    172.181  15.963  7.8920  17.963  9.0168  -2.000033      11.98275 
1 1 1 -29 -4  28 o 19.865  8.4551  133.123    71.440   198.831    108.046  82.083     95.226   19.572  9.1517  16.303  7.8845  3.269150       12.07968 
1 1 1 -29 -4  29 o 12.975  6.2848  -2.3353    61.078   -183.5366  89.474   155.789    83.582   ?       ?       19.678  8.7427  0.000000       8.742718 
1 1 1 -29 -4  30 o 14.825  6.9785  43.189     64.647   -43.6062   92.631   125.607    90.265   13.107  6.5837  17.582  8.2669  -4.475497      10.56819 
1 1 1 -29 -4  31 f 19.678  8.2831  131.584    67.317   140.913    93.872   121.708    96.586   17.776  8.3802  16.987  8.1457  0.7892437      11.68676 
1 1 1 -29 -4  32 o 17.378  8.4874  173.613    117.797  158.046    304.491  176.352    127.743  ?       ?       17.059  8.4301  0.000000       8.430117 
1 1 1 -29 -4  33 o 12.572  6.3610  -70.1493   96.489   12.622     273.631  -81.9029   103.113  ?       ?       12.622  6.4061  0.000000       6.406111 
1 1 1 -29 -4  34 o 12.689  6.1888  -2.0200    62.020   -51.2935   86.672   49.687     88.786   12.479  6.2809  14.710  7.2223  -2.231047      9.571342 
1 1 1 -29 -4  35 o 10.432  5.2533  -83.1919   61.024   -83.1580   82.470   -83.2330   90.722   11.724  5.9272  12.081  6.1184  -0.3564215     8.518608 
1 1 1 -29 -4  36 f 28.467  9.4415  265.668    76.069   349.627    106.172  177.108    109.042  25.092  10.471  17.491  8.4535  7.601082       13.45769 
1 1 1 -29 -4  37 o 14.174  6.7688  37.686     65.223   35.145     90.068   40.487     94.576   14.273  7.0580  14.418  7.1481  -0.1456261     10.04543 
1 1 1 -29 -4  38 o 11.106  5.5379  -51.1106   60.140   -22.6209   78.461   -91.6890   93.639   12.714  6.3372  12.062  6.1199  0.6526031      8.809853 
1 1 1 -29 -4  39 o 12.804  6.2017  4.7605     59.449   18.442     82.776   -9.8141    85.434   13.830  6.8257  13.229  6.5971  0.6008472      9.492720 
1 1 1 -29 -4  40 o 16.636  7.5901  90.294     67.957   76.970     93.705   105.077    98.701   15.396  7.5300  16.051  7.8237  -0.6551447     10.85867 
1 1 1 -29 -4  41 o 14.255  6.8464  38.252     68.832   41.220     72.971   14.289     207.326  14.384  6.9429  ?       ?       0.000000       6.942925 
1 1 1 -29 -4  42 o 13.789  6.7127  26.233     71.988   26.233     71.988   0.0000     0.0000   13.789  6.7127  ?       ?       0.000000       6.712668 
1 1 1 -29 -4  43 o 15.674  7.5122  89.637     81.923   89.637     81.923   0.0000     0.0000   15.674  7.5122  ?       ?       0.000000       7.512158 
1 1 1 -29 -4  44 o 11.575  5.7418  -27.4747   61.369   -27.4747   61.369   0.0000     0.0000   11.575  5.7418  ?       ?       0.000000       5.741783 
1 1 1 -29 -4  45 o 11.720  5.7310  -5.7663    54.194   11.936     71.686   -29.3780   82.792   12.829  6.3352  12.196  6.1385  0.6331320      8.821332 
1 1 1 -29 -4  46 o 14.253  7.1316  92.760     103.660  363.642    531.275  82.040     105.691  ?       ?       14.036  7.0482  0.000000       7.048246 
1 1 1 -29 -3  1  o 17.755  7.6528  93.082     59.893   86.823     116.849  95.313     69.752   15.754  7.8330  17.208  7.7873  -1.454160      11.04528 
1 1 1 -29 -3  2  o 10.377  4.8461  -4.9120    30.145   47.676     40.733   -68.5933   44.823   15.285  6.4389  9.4394  4.7181  5.845435       7.982514 
1 1 1 -29 -3  3  o 17.604  6.4526  64.540     36.055   65.785     46.419   62.647     57.244   16.815  6.9625  16.100  7.1884  0.7152729      10.00753 
1 1 1 -29 -3  4  o 19.817  7.2329  91.730     45.233   87.378     66.124   95.557     62.012   17.412  7.7536  18.223  7.8197  -0.8110237     11.01205 
1 1 1 -29 -3  5  o 13.403  5.9881  22.981     39.783   98.198     55.596   -55.9462   56.951   19.206  7.7449  11.116  5.5172  8.090235       9.509067 
1 1 1 -29 -3  6  o 14.549  6.4187  35.183     44.294   157.316    63.807   -78.4182   61.538   23.647  8.5966  10.963  5.4868  12.68371       10.19832 
1 1 1 -29 -3  7  o 17.920  7.1068  72.449     46.026   15.337     66.692   124.386    63.599   14.210  6.8019  20.776  8.3167  -6.566512      10.74397 
1 1 1 -29 -3  8  o 29.570  9.7075  258.666    80.491   279.454    92.457   193.583    163.595  27.809  10.308  17.945  8.9759  9.864202       13.66862 
1 1 1 -29 -3  9  o 44.671  8.7252  449.600    91.180   492.719    110.391  357.025    161.751  40.080  11.012  21.172  10.249  18.90828       15.04326 
1 1 1 -29 -3  10 f 38.540  6.4878  266.121    58.514   238.391    89.124   287.132    77.576   25.810  9.9910  33.991  9.1870  -8.181499      13.57276 
1 1 1 -29 -3  11 o 30.427  7.4234  185.850    54.319   57.538     82.965   282.119    71.863   16.358  7.7610  35.747  8.4233  -19.38934      11.45361 
1 1 1 -29 -3  12 o 14.689  6.6490  30.456     50.885   87.629     74.411   -19.7638   69.740   17.897  8.0763  13.365  6.5282  4.531678       10.38484 
1 1 1 -29 -3  13 o 11.847  5.7225  -23.4562   49.805   8.4560     69.430   -57.2848   71.484   14.341  6.8845  12.443  6.1766  1.897869       9.249118 
1 1 1 -29 -3  14 o 19.441  8.9165  138.244    95.442   90.825     248.677  146.436    103.357  ?       ?       19.351  9.0157  0.000000       9.015722 
1 1 1 -29 -3  15 o 16.844  8.0271  67.542     90.716   14.596     230.874  77.209     98.651   ?       ?       17.110  8.2120  0.000000       8.211954 
1 1 1 -29 -3  16 o 19.945  8.7484  128.969    81.195   -73.2636   232.419  157.081    86.655   ?       ?       21.100  9.1495  0.000000       9.149481 
1 1 1 -29 -3  17 o 16.800  7.2729  59.775     54.575   114.688    69.787   -26.6771   87.565   19.956  8.4185  14.057  6.9527  5.899014       10.91838 
1 1 1 -29 -3  18 o 13.149  6.1967  2.3167     51.258   -50.2969   63.384   101.761    87.140   12.066  5.9584  18.213  8.4136  -6.146714      10.30976 
1 1 1 -29 -3  19 o 11.436  5.6659  -59.6116   59.075   37.888     83.800   -155.9291  83.291   15.742  7.5588  11.341  5.7562  4.400575       9.501024 
1 1 1 -29 -3  20 o 18.229  7.9578  87.889     66.476   126.175    93.479   48.719     94.552   18.896  8.7240  16.140  7.8183  2.756931       11.71469 
1 1 1 -29 -3  21 o 23.677  8.9263  163.545    69.903   80.186     99.310   245.406    98.413   17.008  8.1825  24.526  10.145  -7.517813      13.03379 
1 1 1 -29 -3  22 o 44.404  7.9887  409.774    82.907   391.316    117.738  427.929    116.765  29.355  11.450  32.252  11.644  -2.896267      16.33027 
1 1 1 -29 -3  23 o 48.370  7.6260  471.000    86.539   446.680    126.008  492.710    119.056  30.245  11.832  36.115  11.804  -5.870096      16.71289 
1 1 1 -29 -3  24 o 22.468  9.0125  164.823    74.855   97.016     108.376  226.683    103.514  17.077  8.2955  22.138  9.7874  -5.060528      12.82998 
1 1 1 -29 -3  25 o 11.803  5.9712  -120.2351  84.913   -162.6704  101.714  -22.6553   154.240  ?       ?       15.130  7.6941  0.000000       7.694148 
1 1 1 -29 -3  26 o 13.682  6.8125  -27.6122   89.669   -36.3775   106.729  -6.5772    165.338  14.030  7.0499  ?       ?       0.000000       7.049854 
1 1 1 -29 -3  27 o 16.748  7.7855  80.397     76.396   80.413     113.567  80.383     103.249  16.213  8.0005  16.301  7.9581  -0.8807182E-01 11.28443 
1 1 1 -29 -3  28 o 18.074  8.0436  104.547    71.045   121.543    100.896  87.834     100.056  17.355  8.3231  16.387  7.9626  0.9683399      11.51848 
1 1 1 -29 -3  29 o 15.923  7.3786  64.626     67.786   49.556     91.681   82.798     100.675  15.249  7.4561  16.082  7.8525  -0.8326502     10.82844 
1 1 1 -29 -3  30 o 18.527  8.0540  112.937    67.481   113.160    99.873   112.749    91.536   16.769  8.1009  17.037  8.1032  -0.2679844     11.45802 
1 1 1 -29 -3  31 o 17.696  8.5976  177.675    116.569  451.209    282.850  121.712    127.939  ?       ?       16.177  8.0678  0.000000       8.067775 
1 1 1 -29 -3  32 o 13.868  6.9506  -1.7758    100.406  247.777    273.845  -40.5345   107.921  ?       ?       13.395  6.7727  0.000000       6.772665 
1 1 1 -29 -3  33 o 13.676  6.8945  -15.2867   106.749  -73.4210   276.993  -5.1464    115.685  ?       ?       13.964  7.0561  0.000000       7.056144 
1 1 1 -29 -3  34 o 18.836  8.2417  133.679    71.665   118.817    97.659   151.021    105.494  16.476  7.9723  17.077  8.2690  -0.6015854     11.48624 
1 1 1 -29 -3  35 o 9.6559  4.8953  -114.9782  59.092   6.0406     81.868   -246.6059  85.381   13.502  6.6863  ?       ?       0.000000       6.686270 
1 1 1 -29 -3  36 o 21.301  8.7210  171.086    71.762   116.529    100.149  228.658    102.878  16.242  7.9088  19.765  9.1344  -3.523069      12.08246 
1 1 1 -29 -3  37 o 21.633  8.7750  175.540    71.826   165.623    100.174  186.032    103.040  17.708  8.4378  18.187  8.6349  -0.4791279     12.07305 
1 1 1 -29 -3  38 o 15.003  7.0446  56.104     65.176   179.507    96.781   -46.3041   88.165   18.491  8.6510  12.596  6.3394  5.894328       10.72506 
1 1 1 -29 -3  39 o 10.369  5.2093  -76.8236   58.130   -54.2850   86.328   -95.5204   78.627   12.422  6.2545  11.357  5.7458  1.065070       8.493114 
1 1 1 -29 -3  40 o 10.263  5.1645  -82.7665   58.467   -19.1554   85.356   -138.9951  80.250   13.062  6.5263  ?       ?       0.000000       6.526295 
1 1 1 -29 -3  41 o 11.870  5.9791  -66.4374   79.380   -66.4374   79.380   0.0000     0.0000   11.870  5.9791  ?       ?       0.000000       5.979116 
1 1 1 -29 -3  42 o 14.629  7.2409  53.985     95.603   53.985     95.603   0.0000     0.0000   14.629  7.2409  ?       ?       0.000000       7.240901 
1 1 1 -29 -3  43 o 12.034  6.0474  -46.3696   78.670   -46.3696   78.670   0.0000     0.0000   12.034  6.0474  ?       ?       0.000000       6.047446 
1 1 1 -29 -3  44 o 12.227  6.0079  -4.0844    61.815   -19.3268   84.877   13.132     90.205   12.587  6.3201  13.321  6.6632  -0.7330647     9.183825 
1 1 1 -29 -3  45 o 12.409  6.3100  -43.0523   103.577  550.625    560.633  -64.0321   105.391  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -2  1  o 12.164  5.7662  0.8551     45.606   -42.5659   124.350  7.6032     49.021   13.923  7.0629  12.714  6.0127  1.208200       9.275663 
1 1 1 -29 -2  2  o 12.259  5.5590  12.822     35.750   -49.0134   47.659   92.382     54.059   10.370  5.1293  18.532  7.5762  -8.161682      9.149278 
1 1 1 -29 -2  3  o 10.125  4.8583  -19.3503   34.474   -47.9991   47.155   13.542     50.527   10.396  5.1347  13.244  6.2136  -2.847841      8.060608 
1 1 1 -29 -2  4  o 30.310  6.9631  180.506    50.134   233.292    71.156   128.475    70.646   29.271  9.0764  19.860  8.4292  9.410841       12.38679 
1 1 1 -29 -2  5  o 22.959  7.4522  118.431    47.486   67.445     66.429   171.707    67.905   16.507  7.5207  24.110  8.8525  -7.603024      11.61586 
1 1 1 -29 -2  6  o 16.663  6.8481  58.873     44.457   73.219     63.558   45.129     62.208   17.029  7.5910  15.452  7.1280  1.576142       10.41298 
1 1 1 -29 -2  7  o 20.827  8.7868  144.049    76.032   145.993    86.524   137.458    159.300  19.885  8.8610  17.212  8.6443  2.672398       12.37910 
1 1 1 -29 -2  8  o 13.050  6.3496  -16.5895   64.200   -19.2181   71.320   -5.3602    147.410  13.352  6.5387  15.482  7.8367  -2.130260      10.20628 
1 1 1 -29 -2  9  o 14.792  6.4917  35.177     44.764   -16.9403   72.674   67.039     56.824   13.538  6.6235  17.106  7.4133  -3.567478      9.941219 
1 1 1 -29 -2  10 o 13.945  6.2553  23.740     43.886   8.0864     68.975   34.387     56.886   14.255  6.8481  15.060  6.8987  -0.8053932     9.720505 
1 1 1 -29 -2  11 o 20.511  7.5847  97.113     49.991   152.733    67.414   29.162     74.513   23.312  8.7705  15.262  7.2736  8.049307       11.39417 
1 1 1 -29 -2  12 o 27.828  7.7798  164.830    54.575   151.287    73.871   181.105    80.978   22.213  8.9378  23.412  9.3799  -1.199255      12.95639 
1 1 1 -29 -2  13 o 15.632  7.4559  35.050     78.632   111.854    189.805  19.137     86.395   17.231  8.7395  15.260  7.4115  1.970295       11.45903 
1 1 1 -29 -2  14 o 15.153  7.3876  13.391     88.119   66.460     226.093  3.8857     95.686   ?       ?       15.092  7.4271  0.000000       7.427110 
1 1 1 -29 -2  15 o 16.845  8.1401  66.889     101.016  0.0000     0.0000   66.889     101.016  ?       ?       16.845  8.1401  0.000000       8.140079 
1 1 1 -29 -2  16 o 10.195  5.0572  -63.8179   47.607   -48.5885   61.341   -86.8853   75.493   11.988  5.9089  12.076  6.0487  -0.8741188E-01 8.455881 
1 1 1 -29 -2  17 o 14.241  6.5595  20.873     52.411   45.294     67.785   -15.4299   82.646   15.929  7.3803  14.172  6.9603  1.756798       10.14465 
1 1 1 -29 -2  18 o 8.8109  4.4564  -114.2950  47.076   -131.0321  58.128   -82.3913   80.253   9.7028  4.9123  12.457  6.2390  -2.753765      7.940761 
1 1 1 -29 -2  19 o 21.274  8.6268  132.139    69.399   121.427    101.553  141.525    95.060   18.482  8.7140  19.580  8.9501  -1.097637      12.49154 
1 1 1 -29 -2  20 o 16.463  7.5339  57.961     67.614   135.509    95.351   -20.4725   95.894   19.224  8.8521  14.435  7.1635  4.788922       11.38752 
1 1 1 -29 -2  21 o 12.725  6.2333  -30.0853   64.959   -41.3436   91.394   -18.5916   92.344   13.780  6.8640  14.314  7.0905  -0.5333986     9.868640 
1 1 1 -29 -2  22 o 12.604  6.2047  -37.0571   66.941   -83.3906   92.932   12.910     96.508   12.992  6.5344  15.101  7.4370  -2.109425      9.899912 
1 1 1 -29 -2  23 o 16.109  7.4685  55.187     69.576   43.105     100.681  66.231     96.257   15.817  7.7507  16.441  7.9451  -0.6234245     11.09951 
1 1 1 -29 -2  24 o 19.032  8.7681  140.178    93.708   156.452    109.843  96.668     179.607  18.771  8.9131  16.547  8.4039  2.223986       12.25028 
1 1 1 -29 -2  25 o 14.279  7.0352  -1.1303    86.683   12.166     100.989  -38.3412   168.947  14.907  7.3896  ?       ?       0.000000       7.389644 
1 1 1 -29 -2  26 o 14.843  7.2559  23.785     86.684   3.8419     103.299  71.260     159.380  14.671  7.3061  16.039  8.1217  -1.367625      10.92430 
1 1 1 -29 -2  27 o 21.753  9.0518  173.000    79.010   194.847    112.636  151.837    110.860  19.279  9.1162  18.041  8.6709  1.238590       12.58135 
1 1 1 -29 -2  28 o 9.8105  4.9732  -126.3864  60.879   -125.9572  80.481   -126.9605  93.078   11.269  5.7133  11.944  6.0644  -0.6745625     8.331835 
1 1 1 -29 -2  29 o 12.305  6.0843  -32.3731   66.865   -81.4433   90.701   26.040     98.960   12.444  6.2832  14.703  7.2933  -2.259377      9.626556 
1 1 1 -29 -2  30 o 10.673  5.3706  -87.0724   63.126   -101.6406  85.126   -69.2727   94.095   11.782  5.9629  12.694  6.4084  -0.9118471     8.753466 
1 1 1 -29 -2  31 o 15.184  7.5822  60.481     114.504  236.603    307.585  32.147     123.371  ?       ?       14.741  7.4291  0.000000       7.429097 
1 1 1 -29 -2  32 o 16.256  7.9985  117.252    110.800  149.447    301.086  112.208    119.163  ?       ?       15.985  7.9417  0.000000       7.941687 
1 1 1 -29 -2  33 o 17.170  7.9007  108.287    75.770   186.511    98.122   -7.2505    119.251  18.823  8.7747  13.967  7.0675  4.856041       11.26700 
1 1 1 -29 -2  34 o 13.573  6.5260  21.541     62.955   -32.8898   85.395   86.343     93.176   12.781  6.4068  15.666  7.6285  -2.884426      9.961952 
1 1 1 -29 -2  35 f 11.660  5.7937  -38.5662   63.503   -58.0287   89.409   -18.7537   90.210   12.441  6.2766  13.171  6.5996  -0.7301102     9.107702 
1 1 1 -29 -2  36 o 13.656  6.5868  23.329     65.403   -24.1814   91.236   73.550     93.803   13.086  6.5679  15.255  7.4763  -2.168579      9.951537 
1 1 1 -29 -2  37 o 12.506  6.2869  -46.2197   85.441   -381.8326  294.328  -15.3353   89.286   ?       ?       13.214  6.6128  0.000000       6.612804 
1 1 1 -29 -2  38 o 16.664  7.5051  86.678     63.888   125.190    91.028   49.290     89.689   16.941  8.0644  14.698  7.2251  2.243355       10.82757 
1 1 1 -29 -2  39 o 20.754  8.6067  159.694    71.084   108.988    104.682  203.081    96.833   16.058  7.8756  19.592  8.9841  -3.533745      11.94739 
1 1 1 -29 -2  40 o 17.444  8.4023  163.636    105.508  163.636    105.508  0.0000     0.0000   17.444  8.4023  ?       ?       0.000000       8.402258 
1 1 1 -29 -2  41 o 13.221  6.6295  -16.3798   91.862   -16.3798   91.862   0.0000     0.0000   13.221  6.6295  ?       ?       0.000000       6.629469 
1 1 1 -29 -2  42 o 13.967  6.8751  30.732     82.127   30.732     82.127   0.0000     0.0000   13.967  6.8751  ?       ?       0.000000       6.875094 
1 1 1 -29 -2  43 o 10.698  5.3605  -59.0689   59.502   -59.8166   81.960   -58.2355   86.524   11.869  5.9903  12.068  6.0983  -0.1993437     8.548287 
1 1 1 -29 -2  44 o 11.267  5.6009  -31.3856   59.577   -137.8034  86.986   62.640     81.765   ?       ?       14.363  7.0269  0.000000       7.026933 
1 1 1 -29 -2  45 o 15.514  7.7483  178.659    119.862  693.777    531.726  151.082    123.028  ?       ?       14.967  7.5270  0.000000       7.526986 
1 1 1 -29 -1  1  o 11.051  5.2201  -6.4910    36.750   -40.1017   49.055   36.503     55.481   10.788  5.3108  14.507  6.7058  -3.719321      8.554146 
1 1 1 -29 -1  2  o 18.383  6.8852  75.593     41.456   87.210     55.695   61.161     62.077   18.040  7.5607  15.968  7.2732  2.072339       10.49115 
1 1 1 -29 -1  3  o 7.1182  3.6093  -92.6784   32.205   -111.8402  48.012   -77.0051   43.422   8.8299  4.4697  9.1186  4.5704  -0.2886820     6.392734 
1 1 1 -29 -1  4  o 20.768  8.3801  129.393    65.137   136.717    71.817   95.421     154.663  20.442  8.5773  16.363  8.2551  4.079092       11.90448 
1 1 1 -29 -1  5  o 12.149  5.6963  0.1170     42.355   -6.9229    61.795   6.3547     58.168   13.132  6.3513  13.474  6.4227  -0.3412409     9.032734 
1 1 1 -29 -1  6  o 15.704  7.2452  48.478     64.313   83.343     77.721   -27.2446   114.540  17.233  7.9557  14.553  7.3116  2.680068       10.80524 
1 1 1 -29 -1  7  o 13.807  6.4940  13.464     55.774   16.786     63.461   2.1869     116.914  14.277  6.7779  15.180  7.5924  -0.9030066     10.17763 
1 1 1 -29 -1  8  o 15.166  6.5511  40.026     44.085   81.545     61.620   -3.5075    63.097   17.933  7.7459  13.500  6.5015  4.433103       10.11278 
1 1 1 -29 -1  9  o 16.620  6.8590  55.868     44.832   19.016     65.344   88.643     61.624   14.552  6.8993  18.528  7.8686  -3.976098      10.46498 
1 1 1 -29 -1  10 o 14.473  6.5316  28.038     48.678   -14.0323   64.731   82.796     73.850   13.288  6.4448  17.683  8.0066  -4.394580      10.27816 
1 1 1 -29 -1  11 o 16.995  7.1977  61.326     51.336   3.0979     71.111   124.699    74.186   14.239  6.8680  20.244  8.6163  -6.005692      11.01863 
1 1 1 -29 -1  12 o 12.834  6.3124  -37.7399   68.799   95.904     178.076  -61.1882   74.591   17.121  8.6603  12.585  6.2578  4.535506       10.68460 
1 1 1 -29 -1  13 o 15.220  7.3212  21.984     79.447   130.508    190.793  -0.7811    87.384   17.475  8.8528  14.755  7.2282  2.719964       11.42892 
1 1 1 -29 -1  14 f 15.220  7.3560  19.207     82.569   143.005    197.136  -7.1314    90.929   17.585  8.9179  14.714  7.2413  2.870468       11.48758 
1 1 1 -29 -1  15 o 12.378  5.9018  -11.3281   49.179   -18.4962   64.701   -1.5204    75.682   13.211  6.4157  14.332  6.9552  -1.120944      9.462329 
1 1 1 -29 -1  16 o 14.775  6.7775  27.872     55.174   -33.0653   75.515   97.656     80.810   13.383  6.5884  18.368  8.3399  -4.984816      10.62836 
1 1 1 -29 -1  17 o 17.058  7.4379  63.704     57.924   -15.1150   79.216   154.274    84.915   14.049  6.8823  21.184  9.1215  -7.134732      11.42657 
1 1 1 -29 -1  18 o 15.811  7.2351  44.365     62.345   8.4188     87.557   81.334     88.795   14.978  7.3157  17.384  8.1816  -2.405813      10.97537 
1 1 1 -29 -1  19 o 26.574  8.8488  183.145    66.795   233.526    88.955   118.019    101.137  25.887  9.9925  18.381  8.6753  7.506302       13.23293 
1 1 1 -29 -1  20 o 13.065  6.2893  -10.1138   58.880   -24.9987   78.653   8.8615     88.805   13.661  6.7253  14.939  7.3117  -1.277970      9.934343 
1 1 1 -29 -1  21 o 15.950  7.2619  49.487     61.801   44.404     83.671   55.588     91.677   15.872  7.6030  16.282  7.8402  -0.4108925     10.92132 
1 1 1 -29 -1  22 o 12.492  6.0746  -22.6838   58.519   15.789     77.901   -72.5130   88.656   14.736  7.1277  12.978  6.5083  1.757687       9.652028 
1 1 1 -29 -1  23 o 13.394  6.4181  0.1932     59.728   -0.3045    77.999   0.8988     92.869   14.166  6.9160  14.640  7.2263  -0.4740829     10.00251 
1 1 1 -29 -1  24 o 13.914  6.7839  -1.8368    74.332   25.984     82.412   -123.1971  172.126  15.003  7.2753  ?       ?       0.000000       7.275266 
1 1 1 -29 -1  25 o 12.960  6.4299  -38.4478   77.089   -23.9327   88.113   -85.8130   159.169  13.759  6.8345  ?       ?       0.000000       6.834455 
1 1 1 -29 -1  26 o 23.515  9.0518  178.854    72.837   189.978    97.390   164.734    109.724  20.535  9.2556  18.628  8.8636  1.906374       12.81520 
1 1 1 -29 -1  27 o 14.404  6.8843  25.807     67.752   49.422     91.092   -3.4311    101.359  15.448  7.5267  14.346  7.1592  1.101220       10.38773 
1 1 1 -29 -1  28 o 19.218  8.4024  129.855    74.367   189.843    103.174  64.989     107.286  19.492  9.0569  15.681  7.7448  3.811426       11.91678 
1 1 1 -29 -1  29 o 13.463  6.5408  5.6821     67.448   43.208     91.602   -38.7555   99.681   15.007  7.3618  13.443  6.7621  1.564615       9.996100 
1 1 1 -29 -1  30 o 17.517  8.5660  174.732    121.097  98.751     308.762  188.544    131.644  ?       ?       17.414  8.5968  0.000000       8.596779 
1 1 1 -29 -1  31 o ?       ?       -219.8309  102.154  -4.9153    290.666  -250.1172  109.115  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 -1  32 o 15.858  7.5362  78.811     78.851   65.937     96.395   104.844    137.077  15.224  7.4851  15.602  7.8588  -0.3774672     10.85300 
1 1 1 -29 -1  33 o 14.712  7.0190  48.172     69.774   55.947     95.504   39.272     102.183  14.900  7.3498  14.547  7.2479  0.3531237      10.32239 
1 1 1 -29 -1  34 o 14.472  6.9396  42.941     70.096   104.355    96.846   -24.6292   101.585  16.078  7.8172  13.359  6.7337  2.718248       10.31753 
1 1 1 -29 -1  35 o 15.735  7.3454  73.803     69.139   35.407     92.659   122.036    103.851  14.343  7.1046  16.309  7.9660  -1.965516      10.67390 
1 1 1 -29 -1  36 o 12.487  6.2829  -49.1011   86.372   16.451     270.022  -56.5726   91.161   ?       ?       12.527  6.3221  0.000000       6.322088 
1 1 1 -29 -1  37 f 10.858  5.4383  -64.6069   60.999   -62.1424   92.721   -66.4874   80.995   12.502  6.3172  11.963  6.0276  0.5391521      8.731486 
1 1 1 -29 -1  38 o 9.5058  4.8144  -110.4201  56.178   -81.9390   80.520   -137.4328  78.417   11.694  5.9065  ?       ?       0.000000       5.906479 
1 1 1 -29 -1  39 o 12.338  6.2424  -75.6057   92.907   -75.6057   92.907   0.0000     0.0000   12.338  6.2424  ?       ?       0.000000       6.242363 
1 1 1 -29 -1  40 o 15.864  7.7842  101.778    102.646  101.778    102.646  0.0000     0.0000   15.864  7.7842  ?       ?       0.000000       7.784203 
1 1 1 -29 -1  41 o 10.856  5.5154  -119.9762  77.832   -119.9762  77.832   0.0000     0.0000   10.856  5.5154  ?       ?       0.000000       5.515418 
1 1 1 -29 -1  42 o 14.347  6.8305  46.761     65.355   -14.9178   91.989   109.627    92.870   13.072  6.5654  15.955  7.7339  -2.883307      10.14483 
1 1 1 -29 -1  43 o 12.048  5.9100  -7.2210    59.016   53.986     82.738   -70.6151   84.203   14.287  7.0058  11.712  5.9277  2.574420       9.177130 
1 1 1 -29 -1  44 o 14.144  7.1134  70.240     110.043  499.960    523.939  50.409     112.553  ?       ?       13.831  6.9855  0.000000       6.985510 
1 1 1 -29 0   1  o 20.466  7.3238  99.431     46.089   115.195    64.904   83.397     65.458   19.234  8.1165  17.079  7.6520  2.154346       11.15484 
1 1 1 -29 0   2  o 7.6642  3.8490  -68.9648   31.576   -46.8593   41.633   -98.9002   48.449   9.8344  4.8512  9.1497  4.6166  0.6846275      6.696797 
1 1 1 -29 0   3  o 29.557  11.452  416.152    117.167  282.491    249.364  454.021    132.731  ?       ?       27.433  11.593  0.000000       11.59347 
1 1 1 -29 0   4  o 13.729  6.4084  17.699     52.608   -26.0851   58.547   201.260    119.876  12.228  5.9746  19.399  9.2399  -7.171186      11.00323 
1 1 1 -29 0   5  o 8.2107  4.1419  -90.8055   38.880   -53.1848   41.746   -336.8625  106.763  9.7179  4.8055  ?       ?       0.000000       4.805525 
1 1 1 -29 0   6  o 17.021  7.5275  69.676     61.276   5.4919     69.654   289.360    128.865  14.048  6.7812  21.998  10.187  -7.950520      12.23725 
1 1 1 -29 0   7  o 24.383  7.8590  136.363    52.880   116.796    76.888   153.926    72.842   19.215  8.4681  22.214  8.8976  -2.999626      12.28322 
1 1 1 -29 0   8  o 22.916  7.6614  118.499    50.062   68.501     69.515   172.366    72.155   16.933  7.7065  24.045  9.0680  -7.111752      11.90039 
1 1 1 -29 0   9  o 21.878  7.8916  114.684    53.619   148.450    72.557   74.058     79.587   22.071  8.8661  17.113  7.9523  4.958405       11.90995 
1 1 1 -29 0   10 o 25.213  8.2626  151.781    58.323   113.390    82.645   189.868    82.318   18.959  8.5377  23.838  9.4884  -4.878210      12.76408 
1 1 1 -29 0   11 o 11.612  5.6843  -39.8514   53.749   -69.9200   77.100   -11.4211   74.970   12.537  6.2544  13.953  6.8048  -1.415293      9.242467 
1 1 1 -29 0   12 o 20.002  8.8187  131.633    83.471   171.605    197.580  122.949    92.093   17.843  9.0360  19.053  8.7462  -1.210466      12.57563 
1 1 1 -29 0   13 o 16.781  7.8422  62.409     79.157   39.160     188.379  67.394     87.231   ?       ?       16.942  8.0148  0.000000       8.014766 
1 1 1 -29 0   14 o 11.161  5.4898  -49.0839   52.061   -3.0707    78.594   -85.0583   69.494   14.406  7.0130  11.700  5.8522  2.705555       9.134029 
1 1 1 -29 0   15 f 16.197  7.3194  50.249     61.370   101.451    89.640   5.0748     84.198   18.262  8.4702  14.843  7.2331  3.418405       11.13829 
1 1 1 -29 0   16 o 14.440  6.7410  19.461     58.234   -8.5880    82.276   47.619     82.434   14.374  7.0356  16.193  7.6985  -1.819390      10.42914 
1 1 1 -29 0   17 o 13.197  6.2958  -4.3215    56.123   35.232     76.071   -51.5669   83.139   15.619  7.4166  13.306  6.6147  2.312668       9.937829 
1 1 1 -29 0   18 o 17.106  7.5237  65.826     60.412   69.432     82.691   61.699     88.471   16.975  7.9593  16.653  7.9336  0.3220654      11.23799 
1 1 1 -29 0   19 o 23.826  8.7591  155.992    66.508   199.031    89.519   102.969    99.362   23.262  9.6536  17.885  8.4878  5.377361       12.85436 
1 1 1 -29 0   20 o 25.527  8.9328  178.014    68.241   164.606    93.658   193.186    99.633   20.653  9.2101  21.510  9.5514  -0.8569927     13.26861 
1 1 1 -29 0   21 o 30.655  9.1288  240.751    72.966   226.978    98.166   257.753    109.072  23.377  9.9296  23.435  10.213  -0.5841827E-01 14.24434 
1 1 1 -29 0   22 o 17.249  7.7134  74.874     66.179   11.331     88.400   155.892    99.819   14.842  7.2706  19.520  9.0131  -4.678302      11.58005 
1 1 1 -29 0   23 f 18.867  8.6053  126.631    87.271   86.900     100.796  245.599    174.420  16.943  8.1734  18.432  9.2266  -1.488998      12.32615 
1 1 1 -29 0   24 o 12.757  6.3208  -40.8187   73.567   -30.2984   81.287   -88.4474   172.958  13.392  6.6370  ?       ?       0.000000       6.637004 
1 1 1 -29 0   25 o 14.504  7.0375  17.760     77.402   82.374     85.806   -264.4464  179.324  16.772  7.9385  ?       ?       0.000000       7.938530 
1 1 1 -29 0   26 o 17.988  8.0376  100.636    71.711   110.979    97.741   88.577     105.537  17.314  8.2732  16.502  8.0537  0.8120003      11.54594 
1 1 1 -29 0   27 o 13.450  6.5519  -0.8067    68.923   74.304     94.837   -84.8855   100.339  16.079  7.7988  12.885  6.5159  3.194028       10.16263 
1 1 1 -29 0   28 o 14.894  7.0624  41.727     68.509   -23.9647   93.782   116.896    100.319  13.603  6.8030  17.052  8.2086  -3.449308      10.66127 
1 1 1 -29 0   29 o 14.322  7.2229  -3.0379    117.744  -123.9854  313.311  16.853     127.058  ?       ?       14.704  7.4259  0.000000       7.425862 
1 1 1 -29 0   30 o 12.943  6.5659  -78.2435   107.458  -140.8006  292.246  -68.4633   115.553  ?       ?       13.287  6.7473  0.000000       6.747267 
1 1 1 -29 0   31 o 13.950  7.0407  -9.6553    113.125  89.302     304.153  -25.5424   121.868  ?       ?       13.866  7.0298  0.000000       7.029795 
1 1 1 -29 0   32 o 20.627  8.7573  169.222    76.291   186.207    103.519  149.030    112.871  18.407  8.7144  16.845  8.2441  1.561882       11.99607 
1 1 1 -29 0   33 o 23.813  9.2297  212.820    76.134   184.718    102.454  247.472    113.772  18.327  8.6746  19.464  9.1910  -1.137009      12.63815 
1 1 1 -29 0   34 o 11.068  5.5675  -75.1927   67.559   -52.2235   90.729   -103.7776  101.214  12.596  6.3508  ?       ?       0.000000       6.350845 
1 1 1 -29 0   35 o 19.722  8.5474  156.797    75.549   133.362    103.294  183.753    110.784  16.628  8.0820  17.655  8.5298  -1.027338      11.75055 
1 1 1 -29 0   36 o 14.373  6.7817  41.596     61.730   -12.0685   87.775   94.115     86.832   13.249  6.6191  16.018  7.6923  -2.769794      10.14815 
1 1 1 -29 0   37 o 11.860  5.8503  -26.0134   60.555   58.982     93.966   -86.3812   79.191   14.943  7.3552  11.537  5.8304  3.405970       9.385799 
1 1 1 -29 0   38 o 31.596  13.058  805.354    162.840  805.354    162.840  0.0000     0.0000   31.596  13.058  ?       ?       0.000000       13.05832 
1 1 1 -29 0   39 o 14.246  7.0481  29.704     90.199   29.704     90.199   0.0000     0.0000   14.246  7.0481  ?       ?       0.000000       7.048088 
1 1 1 -29 0   40 o 12.667  6.3608  -37.8122   86.118   -37.8122   86.118   0.0000     0.0000   12.667  6.3608  ?       ?       0.000000       6.360788 
1 1 1 -29 0   41 o 11.765  5.7974  -22.3181   58.925   3.0379     82.949   -48.1496   83.723   13.319  6.6188  12.293  6.1856  1.026033       9.059275 
1 1 1 -29 0   42 o 11.177  5.5671  -41.7640   60.082   -59.8832   84.336   -23.0898   85.618   11.976  6.0485  12.679  6.3636  -0.7028904     8.779461 
1 1 1 -29 0   43 o 11.367  5.6585  -32.6190   61.721   82.538     91.291   -129.5760  83.767   14.788  7.2731  ?       ?       0.000000       7.273133 
1 1 1 -29 0   44 o 14.937  7.4548  127.786    110.043  159.337    521.965  126.318    112.573  ?       ?       14.850  7.4304  0.000000       7.430427 
1 1 1 -29 1   1  o 25.346  7.3912  140.721    48.256   134.369    69.488   146.637    67.065   20.182  8.4510  21.518  8.5645  -1.335924      12.03202 
1 1 1 -29 1   2  o 9.4900  4.6031  -28.4843   33.044   29.509     41.912   -123.7513  53.718   13.961  6.1974  9.2139  4.6708  4.747463       7.760436 
1 1 1 -29 1   3  o 17.128  6.8790  64.166     43.668   77.573     61.383   50.427     62.137   17.253  7.5861  15.620  7.1753  1.633039       10.44193 
1 1 1 -29 1   4  o ?       ?       -142.8058  37.761   -130.9744  40.307   -227.6799  107.958  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 1   5  o 17.853  7.7680  84.102     62.892   41.928     70.032   259.881    142.974  15.441  7.2668  19.911  9.6374  -4.470027      12.07004 
1 1 1 -29 1   6  o 11.968  5.6717  -7.5288    44.066   -48.6842   74.121   14.970     54.803   12.696  6.3003  13.842  6.4869  -1.145654      9.042830 
1 1 1 -29 1   7  o 16.259  7.0499  53.978     51.442   173.367    78.558   -35.6447   68.064   22.886  9.2141  12.729  6.2642  10.15688       11.14179 
1 1 1 -29 1   8  o 14.751  6.7535  30.118     54.414   68.986     76.310   -10.0870   77.613   16.888  7.8268  14.010  6.8522  2.878727       10.40250 
1 1 1 -29 1   9  o 12.775  6.1019  -7.9201    53.056   -65.9109   80.105   37.400     70.815   12.763  6.3684  15.530  7.3083  -2.766721      9.693700 
1 1 1 -29 1   10 o 22.360  8.7501  143.922    68.933   77.237     93.733   222.470    101.729  17.150  8.1691  23.008  9.9451  -5.857862      12.87004 
1 1 1 -29 1   11 o 18.197  8.4530  101.609    89.791   137.296    248.436  96.246     96.301   ?       ?       17.823  8.4281  0.000000       8.428088 
1 1 1 -29 1   12 o 18.490  8.4283  102.465    83.564   315.862    198.004  56.220     92.175   19.507  9.7746  16.532  7.9355  2.974669       12.59030 
1 1 1 -29 1   13 f 12.349  5.9518  -19.5734   53.150   -60.3145   82.030   9.9073     69.779   13.071  6.5094  14.496  6.9439  -1.425037      9.517882 
1 1 1 -29 1   14 o 11.705  5.7049  -34.5908   52.454   -33.7565   82.812   -35.1498   67.786   13.739  6.7891  12.873  6.3186  0.8655329      9.274517 
1 1 1 -29 1   15 o 14.071  6.6767  8.4502     61.426   -23.5047   97.702   29.338     78.991   14.551  7.2226  15.479  7.4078  -0.9286432     10.34608 
1 1 1 -29 1   16 o 25.030  8.6905  162.098    64.528   156.407    88.986   168.410    93.711   20.920  9.1677  21.129  9.3284  -0.2093296     13.07925 
1 1 1 -29 1   17 o 13.787  6.5357  6.0182     58.594   -29.0757   79.725   47.240     86.406   13.672  6.7382  16.160  7.7373  -2.488465      10.26006 
1 1 1 -29 1   18 o 24.606  8.6974  159.904    64.807   134.868    90.466   186.295    92.883   19.567  8.8604  22.057  9.5185  -2.490362      13.00421 
1 1 1 -29 1   19 o 12.801  6.1958  -17.3660   59.070   16.308     80.232   -57.2234   87.289   14.937  7.2272  13.310  6.6421  1.627114       9.815760 
1 1 1 -29 1   20 o 17.070  7.5779  68.418     62.678   30.852     83.600   116.637    94.716   15.420  7.4400  18.382  8.5866  -2.962545      11.36147 
1 1 1 -29 1   21 o 14.830  6.9547  28.442     63.189   -1.2884    85.331   64.541     94.028   14.450  7.0920  16.478  7.9359  -2.028004      10.64307 
1 1 1 -29 1   22 o 11.700  5.8849  -96.7092   75.384   -112.6914  86.235   -44.9168   155.237  12.086  6.1053  ?       ?       0.000000       6.105348 
1 1 1 -29 1   23 o 12.773  6.3636  -52.7665   78.725   -44.7400   89.955   -79.0279   162.712  13.462  6.7218  ?       ?       0.000000       6.721842 
1 1 1 -29 1   24 o 13.390  6.6340  -28.0882   80.977   -22.9765   92.658   -44.6141   166.603  13.931  6.9347  ?       ?       0.000000       6.934669 
1 1 1 -29 1   25 o 18.778  8.1195  107.782    67.856   49.749     94.271   170.178    97.751   15.599  7.6127  19.615  9.0066  -4.016377      11.79290 
1 1 1 -29 1   26 o 14.742  6.9827  34.602     66.617   41.852     91.060   26.254     97.714   15.239  7.4468  14.913  7.3705  0.3254766      10.47750 
1 1 1 -29 1   27 o 16.823  7.8241  87.760     77.287   -126.0571  111.917  282.694    106.861  ?       ?       23.217  10.114  0.000000       10.11364 
1 1 1 -29 1   28 o 16.518  7.6294  80.502     71.620   35.498     98.372   131.262    104.473  14.864  7.3548  17.228  8.3136  -2.364541      11.09997 
1 1 1 -29 1   29 o 13.828  6.9990  -33.3433   117.479  166.740    295.001  -71.0546   128.072  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 1   30 o 13.435  6.8041  -47.1971   112.109  514.305    300.297  -138.1294  120.847  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 1   31 o 14.258  6.9368  32.034     76.577   28.426     96.601   38.136     125.619  14.367  7.1399  14.701  7.4193  -0.3337631     10.29679 
1 1 1 -29 1   32 o 14.552  6.9898  43.927     71.797   79.239     96.649   0.4471     107.247  15.464  7.5810  13.901  6.9955  1.563000       10.31545 
1 1 1 -29 1   33 o 12.696  6.2729  -13.1983   70.583   12.339     95.324   -44.1946   105.019  13.906  6.9399  13.140  6.6469  0.7663536      9.609603 
1 1 1 -29 1   34 o 25.013  9.5453  243.691    80.554   326.760    111.210  152.002    116.838  22.853  10.122  16.603  8.1779  6.250238       13.01292 
1 1 1 -29 1   35 o 13.683  6.8608  -0.3777    98.287   -292.3774  327.034  28.616     103.051  ?       ?       14.274  7.1376  0.000000       7.137554 
1 1 1 -29 1   36 o 10.915  5.4339  -50.4752   56.939   -79.7922   82.238   -23.4820   78.912   11.786  5.9549  12.743  6.3521  -0.9567413     8.706861 
1 1 1 -29 1   37 o 12.042  6.0217  -46.0200   73.415   -66.2786   81.273   43.807     171.138  12.005  6.0477  ?       ?       0.000000       6.047688 
1 1 1 -29 1   38 o 13.497  6.7242  -2.7243    87.913   -2.7243    87.913   0.0000     0.0000   13.497  6.7242  ?       ?       0.000000       6.724248 
1 1 1 -29 1   39 o 15.685  7.6553  89.279     95.352   89.279     95.352   0.0000     0.0000   15.685  7.6553  ?       ?       0.000000       7.655259 
1 1 1 -29 1   40 o 17.326  8.1501  136.107    87.896   81.837     98.562   346.937    194.265  15.301  7.5318  ?       ?       0.000000       7.531838 
1 1 1 -29 1   41 o 14.071  6.7305  40.028     65.016   -59.5607   94.905   128.098    89.248   12.414  6.2839  16.697  7.9584  -4.283810      10.14020 
1 1 1 -29 1   42 o 12.429  6.0931  0.4980     62.435   -40.8430   92.014   35.774     84.997   12.445  6.2886  13.816  6.8364  -1.371344      9.288911 
1 1 1 -29 1   43 f 12.638  6.3906  -19.9048   96.339   136.857    360.204  -31.9823   99.981   ?       ?       12.532  6.3551  0.000000       6.355074 
1 1 1 -29 2   1  o 9.1603  4.5125  -43.9011   35.615   6.2175     47.969   -105.4612  53.164   12.733  5.9989  9.5040  4.8002  3.228774       7.683046 
1 1 1 -29 2   2  o 21.095  7.3024  101.514    45.545   30.429     60.094   197.457    69.814   14.515  6.7993  25.960  9.0380  -11.44480      11.30998 
1 1 1 -29 2   3  o 16.051  7.4829  59.343     71.383   27.303     82.132   158.284    144.330  14.922  7.2424  17.478  8.6929  -2.555971      11.31448 
1 1 1 -29 2   4  o 11.477  5.7435  -77.7070   67.331   -69.3405   77.006   -104.8678  138.748  12.299  6.1528  ?       ?       0.000000       6.152779 
1 1 1 -29 2   5  o 17.379  7.3276  70.359     52.828   81.855     89.662   64.246     65.382   16.962  8.0535  16.572  7.5158  0.3897285      11.01577 
1 1 1 -29 2   6  o 23.379  7.9548  130.452    53.979   58.147     82.800   183.895    71.186   16.257  7.7247  25.123  9.0882  -8.866169      11.92754 
1 1 1 -29 2   7  o 11.428  5.5938  -38.3991   52.031   4.2097     75.191   -77.5497   72.075   14.314  6.9430  11.939  5.9699  2.374389       9.156666 
1 1 1 -29 2   8  o 18.711  7.8335  89.083     59.687   71.377     85.196   106.151    83.646   16.903  7.9729  18.436  8.4150  -1.533543      11.59225 
1 1 1 -29 2   9  o 17.049  7.5722  66.555     62.651   82.739     84.836   47.141     92.918   17.428  8.1359  16.133  7.7989  1.294909       11.27011 
1 1 1 -29 2   10 o 16.263  7.8009  50.597     88.752   76.448     240.718  46.530     95.479   ?       ?       16.179  7.8421  0.000000       7.842081 
1 1 1 -29 2   11 o 15.171  7.3665  16.798     85.228   123.622    247.143  2.3790     90.798   ?       ?       14.915  7.3191  0.000000       7.319052 
1 1 1 -29 2   12 o 12.770  6.2881  -40.5946   68.920   0.0000     0.0000   -40.5946   68.920   ?       ?       12.770  6.2881  0.000000       6.288112 
1 1 1 -29 2   13 o 15.079  6.8864  32.820     56.109   204.023    80.896   -125.8944  77.890   25.422  9.5981  11.499  5.8080  13.92336       11.21857 
1 1 1 -29 2   14 o 10.596  5.2454  -60.4132   50.236   -91.1196   71.347   -30.2234   70.745   11.693  5.8604  13.187  6.4690  -1.494233      8.728842 
1 1 1 -29 2   15 o 15.083  6.9202  32.427     57.549   53.556     83.249   13.088     79.644   16.389  7.7755  14.915  7.2128  1.474072       10.60578 
1 1 1 -29 2   16 o 16.852  7.4651  61.850     60.506   59.819     85.483   63.889     85.653   16.598  7.8757  16.748  7.9283  -0.1498642     11.17517 
1 1 1 -29 2   17 o 20.110  8.2162  109.306    63.528   97.031     89.125   121.984    90.575   17.950  8.3661  18.964  8.6938  -1.014315      12.06537 
1 1 1 -29 2   18 o 26.774  8.8887  187.379    67.417   280.237    95.560   95.361     95.126   27.844  10.449  17.673  8.3630  10.17120       13.38335 
1 1 1 -29 2   19 o 18.064  7.8789  84.975     65.035   46.976     90.338   125.854    93.700   16.021  7.7309  18.817  8.7037  -2.795900      11.64134 
1 1 1 -29 2   20 o 13.710  6.5425  5.0220     60.704   43.530     85.403   -34.3018   86.302   15.799  7.5976  13.681  6.7906  2.117784       10.19000 
1 1 1 -29 2   21 o 17.504  8.0327  86.912     77.611   162.543    86.579   -222.4964  175.118  20.898  9.1034  ?       ?       0.000000       9.103430 
1 1 1 -29 2   22 o 20.088  8.9539  154.030    88.403   187.147    100.695  42.691     184.632  20.569  9.3280  ?       ?       0.000000       9.327994 
1 1 1 -29 2   23 o 14.585  7.0890  16.564     79.469   31.211     89.509   -37.9566   172.697  15.199  7.4179  ?       ?       0.000000       7.417892 
1 1 1 -29 2   24 o 18.401  8.0647  102.466    68.879   122.404    95.461   80.812     99.482   17.919  8.4484  16.478  7.9914  1.440517       11.62920 
1 1 1 -29 2   25 o 14.432  7.0320  17.925     79.531   -46.4055   112.758  81.612     112.193  13.915  7.0235  16.228  7.9970  -2.312770      10.64343 
1 1 1 -29 2   26 o 13.380  6.5540  -5.9350    71.774   -13.1317   100.546  1.5427     102.491  14.066  7.0361  14.383  7.1811  -0.3170071     10.05361 
1 1 1 -29 2   27 o 16.769  7.7075  84.743     71.829   68.558     96.330   105.010    107.799  15.716  7.6757  16.497  8.0703  -0.7808781     11.13766 
1 1 1 -29 2   28 o 12.611  6.4093  -105.0409  105.925  -228.8195  215.721  -65.7150   121.593  ?       ?       13.536  6.8784  0.000000       6.878419 
1 1 1 -29 2   29 o 16.873  8.3479  159.211    126.549  389.797    292.501  106.110    140.366  ?       ?       15.753  7.9373  0.000000       7.937320 
1 1 1 -29 2   30 o 14.784  7.4127  43.799     114.698  -39.9433   306.529  57.432     123.683  ?       ?       15.011  7.5486  0.000000       7.548628 
1 1 1 -29 2   31 o 17.699  8.0137  116.341    73.969   27.369     102.897  211.487    106.408  14.341  7.1654  19.003  8.9474  -4.661205      11.46290 
1 1 1 -29 2   32 o 15.099  7.2760  61.358     79.353   24.046     100.695  122.502    128.903  14.204  7.0953  15.816  7.9196  -1.612772      10.63312 
1 1 1 -29 2   33 o 15.841  7.4156  77.598     71.298   118.866    93.975   21.625     109.445  16.560  7.9650  14.202  7.1365  2.357973       10.69447 
1 1 1 -29 2   34 o 16.666  8.1131  138.267    105.167  -2.7022    334.459  153.735    110.787  ?       ?       16.842  8.2269  0.000000       8.226933 
1 1 1 -29 2   35 o 17.936  8.0257  119.760    71.767   65.018     103.678  170.120    99.441   14.991  7.4410  17.949  8.5102  -2.957572      11.30447 
1 1 1 -29 2   36 o 11.563  5.8524  -93.5490   82.166   -31.2613   91.060   -366.5060  190.622  12.980  6.5211  ?       ?       0.000000       6.521124 
1 1 1 -29 2   37 o 17.141  8.2815  149.942    104.410  149.942    104.410  0.0000     0.0000   17.141  8.2815  ?       ?       0.000000       8.281495 
1 1 1 -29 2   38 o 14.042  6.9785  20.456     92.302   20.456     92.302   0.0000     0.0000   14.042  6.9785  ?       ?       0.000000       6.978452 
1 1 1 -29 2   39 o 12.674  6.3285  -25.7226   79.697   25.952     88.477   -248.0058  183.505  14.042  6.9531  ?       ?       0.000000       6.953115 
1 1 1 -29 2   40 o 13.000  6.3262  9.8989     63.794   95.187     97.778   -53.3120   84.177   15.522  7.6127  12.198  6.1458  3.324743       9.783883 
1 1 1 -29 2   41 o 13.415  6.4576  26.821     62.075   -46.8122   88.058   99.557     87.519   12.305  6.2103  15.647  7.5653  -3.342708      9.787867 
1 1 1 -29 2   42 o 14.609  7.2861  85.211     104.381  279.914    339.044  64.824     109.710  ?       ?       14.201  7.1373  0.000000       7.137291 
1 1 1 -29 2   43 o 11.898  6.0433  -55.0825   93.059   101.525    333.820  -68.2784   96.900   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 3   1  o 14.574  6.4815  37.057     46.051   -60.1756   64.133   140.550    66.165   11.519  5.7396  21.275  8.4946  -9.755766      10.25185 
1 1 1 -29 3   2  o 13.673  6.6566  -0.1892    70.849   -32.9798   83.524   83.930     133.777  13.299  6.6142  16.238  8.1215  -2.938950      10.47414 
1 1 1 -29 3   3  o 23.292  9.5982  210.530    87.629   221.619    102.348  180.078    169.604  21.716  9.6599  17.371  8.7488  4.344702       13.03285 
1 1 1 -29 3   4  o 16.872  7.2599  65.507     53.721   58.432     90.793   69.317     66.637   16.073  7.7546  16.742  7.5909  -0.6694489     10.85158 
1 1 1 -29 3   5  o 28.062  7.9212  174.736    56.294   189.842    85.492   163.173    74.799   22.670  9.4230  22.443  9.0067  0.2267704      13.03508 
1 1 1 -29 3   6  o 38.144  8.0769  308.459    72.426   245.119    93.217   404.931    115.043  25.278  10.086  31.001  11.497  -5.722651      15.29437 
1 1 1 -29 3   7  o 36.264  7.6733  266.495    65.412   236.411    89.089   301.682    96.349   25.710  9.9788  29.041  10.563  -3.330711      14.53096 
1 1 1 -29 3   8  o 27.853  8.2747  179.198    60.003   160.886    80.420   202.195    90.120   21.843  9.1143  23.222  9.6655  -1.379126      13.28505 
1 1 1 -29 3   9  o 18.819  8.5814  116.027    86.719   179.239    197.636  100.955    96.506   17.727  8.9835  17.852  8.4406  -0.1253872     12.32668 
1 1 1 -29 3   10 o 15.977  7.6451  43.909     84.074   -62.1443   230.493  60.185     90.295   ?       ?       16.562  7.9244  0.000000       7.924386 
1 1 1 -29 3   11 o 17.212  7.9898  74.457     79.999   194.340    244.710  60.112     84.650   ?       ?       16.593  7.8630  0.000000       7.862970 
1 1 1 -29 3   12 o 13.248  6.2615  1.5731     53.021   -66.7913   71.827   83.430     78.596   12.261  6.1038  17.673  8.1005  -5.411627      10.14270 
1 1 1 -29 3   13 o 19.704  7.7193  92.840     53.693   43.017     73.530   149.757    78.589   15.873  7.4627  21.537  9.0003  -5.663965      11.69173 
1 1 1 -29 3   14 o 15.643  7.0745  42.504     57.456   -34.0992   89.307   96.602     75.050   13.963  6.9265  18.476  8.2415  -4.512890      10.76559 
1 1 1 -29 3   15 o 14.495  6.7545  21.781     58.055   80.695     86.589   -26.3275   78.246   17.361  8.1416  13.653  6.7188  3.707274       10.55587 
1 1 1 -29 3   16 o 12.725  6.1328  -14.9657   56.396   -24.3161   82.908   -6.9131    76.939   13.894  6.8523  14.128  6.8910  -0.2338629     9.718023 
1 1 1 -29 3   17 f 17.448  7.6599  73.224     62.361   34.199     88.349   111.972    88.035   15.654  7.5767  18.541  8.5259  -2.886904      11.40600 
1 1 1 -29 3   18 o 27.418  9.1018  203.254    70.689   413.240    98.428   -20.4177   101.585  38.519  10.322  14.552  7.2465  23.96715       12.61178 
1 1 1 -29 3   19 o 42.479  7.6903  363.936    76.348   316.599    106.352  414.272    109.669  27.366  10.819  33.771  11.339  -6.404711      15.67259 
1 1 1 -29 3   20 o 42.190  7.9602  371.191    78.501   334.996    107.900  411.894    114.421  27.979  10.948  31.563  11.506  -3.584583      15.88227 
1 1 1 -29 3   21 o 23.921  9.9426  235.394    95.172   238.100    109.158  226.818    194.333  21.996  9.8661  17.754  8.9878  4.241571       13.34622 
1 1 1 -29 3   22 o 16.930  8.0630  86.446     91.227   192.333    105.082  -237.5503  183.813  20.231  9.3074  ?       ?       0.000000       9.307415 
1 1 1 -29 3   23 o 18.021  8.0293  98.111     71.015   258.630    97.752   -81.2870   103.340  24.389  10.102  13.213  6.6758  11.17665       12.10831 
1 1 1 -29 3   24 o 24.049  9.4650  208.372    81.059   254.300    111.485  156.859    118.068  21.680  9.8252  17.933  8.6990  3.747160       13.12278 
1 1 1 -29 3   25 o 14.280  6.9745  15.735     79.568   138.051    114.553  -98.2926   110.603  17.378  8.4612  13.056  6.6273  4.321371       10.74767 
1 1 1 -29 3   26 o 12.568  6.2407  -35.6962   73.195   50.636     99.781   -136.2715  107.698  15.293  7.5376  ?       ?       0.000000       7.537590 
1 1 1 -29 3   27 o 15.719  7.7587  76.906     107.042  127.372    226.632  62.415     121.442  ?       ?       15.375  7.6971  0.000000       7.697062 
1 1 1 -29 3   28 o 17.899  8.6747  185.786    116.728  -381.4386  257.246  332.858    130.990  ?       ?       20.959  9.8863  0.000000       9.886316 
1 1 1 -29 3   29 o 17.588  8.6061  192.312    122.827  42.319     244.553  242.913    142.042  ?       ?       17.767  8.7997  0.000000       8.799744 
1 1 1 -29 3   30 o 12.533  6.1891  -17.7583   68.397   -39.2082   94.770   5.5601     98.812   13.009  6.5503  13.898  6.9553  -0.8890648     9.554235 
1 1 1 -29 3   31 o 14.388  6.9431  40.132     72.862   59.159     99.820   18.433     106.597  14.923  7.3887  14.158  7.1053  0.7648191      10.25080 
1 1 1 -29 3   32 o 14.824  7.1157  53.566     74.141   39.439     101.486  69.736     108.574  14.468  7.2108  15.056  7.4965  -0.5880404     10.40159 
1 1 1 -29 3   33 o 15.556  7.6688  92.255     103.496  309.444    331.535  68.805     108.940  ?       ?       15.008  7.4783  0.000000       7.478343 
1 1 1 -29 3   34 o 12.290  6.2265  -78.2870   94.561   -263.8409  323.961  -61.0055   98.867   ?       ?       12.685  6.4204  0.000000       6.420373 
1 1 1 -29 3   35 o 14.513  7.1061  44.125     84.164   11.856     93.879   176.285    189.987  13.841  6.9040  ?       ?       0.000000       6.903997 
1 1 1 -29 3   36 o 16.784  8.1679  141.451    106.339  141.451    106.339  0.0000     0.0000   16.784  8.1679  ?       ?       0.000000       8.167916 
1 1 1 -29 3   37 o 13.509  6.7943  -14.3326   100.410  -14.3326   100.410  0.0000     0.0000   13.509  6.7943  ?       ?       0.000000       6.794335 
1 1 1 -29 3   38 o 16.154  7.8791  113.546    100.567  113.546    100.567  0.0000     0.0000   16.154  7.8791  ?       ?       0.000000       7.879059 
1 1 1 -29 3   39 o 12.371  6.0802  -10.2856   63.457   2.1593     94.316   -20.5787   85.775   13.535  6.7767  12.901  6.4601  0.6331749      9.362501 
1 1 1 -29 3   40 o 16.833  7.6123  100.562    66.520   84.404     96.478   115.204    91.840   15.120  7.4442  16.077  7.7672  -0.9573259     10.75851 
1 1 1 -29 3   41 o 15.747  7.3042  85.920     66.673   12.152     98.436   148.448    90.627   13.391  6.7339  16.862  8.0321  -3.471203      10.48145 
1 1 1 -29 3   42 o 12.027  6.1102  -57.5009   95.610   334.403    357.349  -87.7186   99.228   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 4   1  o 15.399  7.2658  49.005     70.844   -44.8020   82.218   319.453    139.601  12.909  6.4429  20.843  9.9396  -7.933910      11.84510 
1 1 1 -29 4   2  o 24.528  9.3439  201.525    77.105   236.395    87.654   82.248     162.116  24.887  9.8273  16.120  8.1659  8.766222       12.77724 
1 1 1 -29 4   3  o 13.066  6.0994  10.165     47.679   61.909     70.444   -33.5768   64.768   16.195  7.5105  12.400  6.1039  3.794955       9.678102 
1 1 1 -29 4   4  o 11.623  5.5125  -8.8647    41.790   -88.2946   62.436   55.598     56.247   10.854  5.4459  16.099  7.1614  -5.245107      8.996800 
1 1 1 -29 4   5  o 21.132  7.9048  112.467    54.609   14.009     71.970   246.074    83.838   14.408  6.9399  27.391  9.8697  -12.98278      12.06538 
1 1 1 -29 4   6  o 11.495  5.5821  -28.0582   48.989   -31.9447   65.346   -23.0710   74.023   12.625  6.1982  13.372  6.5715  -0.7473049     9.033348 
1 1 1 -29 4   7  o 15.206  6.9241  38.218     56.205   72.089     68.876   -29.2880   97.237   17.081  7.7333  14.195  7.0723  2.885382       10.47958 
1 1 1 -29 4   8  o 14.498  7.0830  1.7326     82.224   181.762    172.806  -50.9558   93.485   17.947  9.0119  13.666  6.8280  4.280998       11.30642 
1 1 1 -29 4   9  o 14.617  7.1299  4.4441     82.377   8.5973     169.896  3.1675     94.190   16.009  8.1346  14.913  7.3450  1.095719       10.95993 
1 1 1 -29 4   10 o 18.049  8.2514  94.784     80.830   128.093    241.560  90.584     85.774   ?       ?       17.713  8.2394  0.000000       8.239447 
1 1 1 -29 4   11 o 21.497  8.2869  122.113    61.117   128.495    83.448   114.728    89.760   19.670  8.7375  18.644  8.5865  1.025787       12.25039 
1 1 1 -29 4   12 o 9.7551  4.8894  -87.0184   49.692   -125.1484  65.976   -37.0319   75.540   10.537  5.3248  13.211  6.5202  -2.673855      8.418210 
1 1 1 -29 4   13 o 9.2480  4.6494  -93.3382   46.750   -122.4794  62.127   -55.2976   70.983   10.241  5.1745  12.460  6.1799  -2.218701      8.060135 
1 1 1 -29 4   14 o 15.114  6.9321  34.198     57.692   84.564     87.444   -4.6231    76.771   17.445  8.1812  14.181  6.9097  3.263707       10.70869 
1 1 1 -29 4   15 o 15.699  7.1474  44.291     59.857   84.076     89.712   12.368     80.360   17.353  8.1842  14.811  7.1826  2.542311       10.88904 
1 1 1 -29 4   16 o 15.738  7.2071  45.237     62.019   137.317    92.334   -30.4522   83.714   19.412  8.8530  13.722  6.7889  5.690434       11.15639 
1 1 1 -29 4   17 o 21.779  8.6517  139.195    68.317   191.848    97.989   89.395     95.298   21.483  9.5091  17.336  8.2519  4.147642       12.59034 
1 1 1 -29 4   18 o 19.509  8.2452  109.592    67.140   113.897    94.759   105.252    95.142   18.153  8.5144  17.819  8.4114  0.3342323      11.96859 
1 1 1 -29 4   19 o 13.237  6.3668  -4.2764    60.038   8.0688     82.331   -18.2967   87.739   14.556  7.1061  14.038  6.9462  0.5180922      9.937181 
1 1 1 -29 4   20 o 13.022  6.5016  -54.1980   84.046   -38.2763   94.706   -113.2190  182.341  13.786  6.8859  ?       ?       0.000000       6.885885 
1 1 1 -29 4   21 o 13.240  6.5705  -34.8750   80.684   -49.2900   89.482   27.801     186.587  13.303  6.6518  ?       ?       0.000000       6.651809 
1 1 1 -29 4   22 o 17.844  8.0041  95.845     71.845   82.842     106.738  106.617    97.147   16.476  8.0537  17.334  8.2733  -0.8582478     11.54596 
1 1 1 -29 4   23 o 65.258  6.5836  794.408    102.823  807.617    144.309  780.787    146.543  46.479  12.517  43.126  12.959  3.352226       18.01655 
1 1 1 -29 4   24 o 21.259  9.1068  179.297    83.849   157.331    125.819  196.846    112.462  17.500  8.5935  19.185  9.0830  -1.684675      12.50391 
1 1 1 -29 4   25 o 10.574  5.3499  -115.6368  68.221   -214.0219  96.205   -16.1215   96.756   ?       ?       13.843  6.9210  0.000000       6.921032 
1 1 1 -29 4   26 o 15.953  7.6173  74.488     82.545   -15.3641   106.782  207.907    130.119  13.964  7.0211  18.023  8.8272  -4.058906      11.27899 
1 1 1 -29 4   27 o 14.276  7.1537  10.278     106.056  56.111     238.656  -1.0010    118.388  ?       ?       14.253  7.1946  0.000000       7.194648 
1 1 1 -29 4   28 o 12.608  6.3961  -85.0356   101.996  -459.5243  238.268  -1.0151    112.860  ?       ?       14.076  7.0955  0.000000       7.095467 
1 1 1 -29 4   29 o 15.829  7.5987  83.061     84.566   86.743     108.363  77.326     135.242  15.540  7.6947  15.186  7.6684  0.3537579      10.86336 
1 1 1 -29 4   30 o 14.557  7.0576  44.872     77.439   85.191     106.732  0.0548     112.527  15.428  7.6391  13.925  7.0274  1.503005       10.37979 
1 1 1 -29 4   31 o 13.574  6.6750  13.488     76.775   -55.3330   105.696  90.357     111.706  12.963  6.5695  15.417  7.6646  -2.453716      10.09477 
1 1 1 -29 4   32 o 18.240  8.2937  141.628    80.269   165.648    110.328  114.614    117.001  17.109  8.3245  15.765  7.8385  1.344073       11.43410 
1 1 1 -29 4   33 o 13.685  6.8659  1.5559     99.155   -440.6431  283.854  63.013     105.821  ?       ?       14.883  7.4087  0.000000       7.408690 
1 1 1 -29 4   34 o 14.394  6.8384  42.834     64.837   -19.4854   94.150   99.047     89.419   13.224  6.6420  16.044  7.7296  -2.819443      10.19134 
1 1 1 -29 4   35 o 11.154  5.6685  -120.9379  82.694   -120.9379  82.694   0.0000     0.0000   11.154  5.6685  ?       ?       0.000000       5.668451 
1 1 1 -29 4   36 o 13.272  6.6837  -25.8323   98.852   -25.8323   98.852   0.0000     0.0000   13.272  6.6837  ?       ?       0.000000       6.683678 
1 1 1 -29 4   37 o 12.399  6.2584  -60.0860   89.563   -60.0860   89.563   0.0000     0.0000   12.399  6.2584  ?       ?       0.000000       6.258366 
1 1 1 -29 4   38 o 14.068  6.9844  28.694     91.530   -10.9841   103.944  165.671    193.130  13.495  6.8031  ?       ?       0.000000       6.803068 
1 1 1 -29 4   39 f 10.605  5.3230  -66.7877   59.956   -9.1978    86.246   -120.6487  83.407   13.043  6.5231  ?       ?       0.000000       6.523109 
1 1 1 -29 4   40 o 16.124  7.3852  89.790     65.163   190.682    95.152   0.6828     89.423   18.164  8.5235  13.125  6.5754  5.039292       10.76503 
1 1 1 -29 4   41 o 11.422  5.8040  -85.0602   86.594   -198.6017  322.001  -76.2087   89.906   ?       ?       11.667  5.9271  0.000000       5.927082 
1 1 1 -29 4   42 o 14.247  7.1298  93.535     103.790  122.404    370.510  91.077     108.119  ?       ?       14.142  7.1048  0.000000       7.104770 
1 1 1 -29 5   1  o 19.452  8.3668  125.361    71.290   160.283    79.990   -9.4866    157.184  20.701  8.8820  ?       ?       0.000000       8.882014 
1 1 1 -29 5   2  o 18.761  7.5129  88.823     51.921   83.970     77.047   92.861     70.275   16.955  7.8602  17.677  7.9236  -0.7219391     11.16094 
1 1 1 -29 5   3  o 10.640  5.0844  -16.7812   36.924   -129.7042  60.267   51.077     46.719   9.7848  4.9589  15.818  6.7874  -6.032779      8.405931 
1 1 1 -29 5   4  o 13.070  6.1410  7.3249     49.664   14.743     65.587   -2.6455    76.037   14.140  6.7622  13.921  6.8033  0.2184601      9.592306 
1 1 1 -29 5   5  o 13.330  6.3261  5.2154     55.193   -26.8286   75.487   42.023     80.904   13.270  6.5433  15.544  7.4542  -2.274716      9.918676 
1 1 1 -29 5   6  o 12.163  5.8905  -20.7234   53.606   -30.6529   68.678   -5.2426    85.754   12.845  6.3159  14.296  7.0346  -1.450582      9.453910 
1 1 1 -29 5   7  o 19.299  8.8510  141.435    94.018   132.052    192.015  144.394    107.829  17.039  8.6570  18.702  8.8657  -1.662792      12.39127 
1 1 1 -29 5   8  o 14.845  7.2255  13.914     83.317   158.942    168.406  -33.0883   95.872   17.630  8.8584  14.077  7.0149  3.552511       11.29952 
1 1 1 -29 5   9  o 16.184  7.6099  53.886     76.518   -215.1435  186.896  108.061    83.869   ?       ?       18.448  8.4227  0.000000       8.422686 
1 1 1 -29 5   10 o 16.837  7.4626  63.759     60.549   -36.5336   84.462   169.790    86.845   13.603  6.7459  21.593  9.2595  -7.989793      11.45626 
1 1 1 -29 5   11 o 16.201  7.2511  53.173     58.622   145.616    83.306   -37.5081   82.508   20.544  8.9396  13.501  6.6905  7.042525       11.16601 
1 1 1 -29 5   12 o 18.715  7.9030  90.940     61.601   34.124     85.110   153.451    89.273   15.581  7.5149  20.447  9.0621  -4.866194      11.77266 
1 1 1 -29 5   13 o 10.819  5.3853  -70.3215   55.855   -92.1665   81.145   -50.6515   76.999   12.250  6.1543  12.899  6.4042  -0.6487904     8.881940 
1 1 1 -29 5   14 o 9.9950  5.0153  -91.0073   53.036   -6.5657    79.832   -157.7170  70.957   14.179  6.9383  10.365  5.2656  3.814901       8.710107 
1 1 1 -29 5   15 o 10.154  5.0942  -90.6557   54.576   -3.2099    82.608   -158.3866  72.702   14.348  7.0286  10.484  5.3266  3.864000       8.818913 
1 1 1 -29 5   16 o 25.017  8.8048  170.736    66.348   8.3399     99.076   302.776    89.338   15.039  7.4307  31.233  10.226  -16.19362      12.64049 
1 1 1 -29 5   17 o 15.045  7.0105  34.103     62.520   -38.6800   93.470   93.030     84.104   13.818  6.8924  17.604  8.1787  -3.785431      10.69559 
1 1 1 -29 5   18 o 19.368  8.1830  108.361    66.099   119.104    92.414   97.108     94.581   18.296  8.5245  17.400  8.2645  0.8959255      11.87301 
1 1 1 -29 5   19 o 16.725  7.9991  78.711     91.814   189.296    106.210  -248.3140  182.644  20.123  9.2935  ?       ?       0.000000       9.293493 
1 1 1 -29 5   20 o 18.012  8.4590  119.689    94.050   106.259    108.686  159.727    187.658  17.154  8.3270  16.955  8.6090  0.1991425      11.97725 
1 1 1 -29 5   21 o 16.670  8.0033  84.749     93.882   118.028    108.386  -15.2364   187.870  17.347  8.3950  ?       ?       0.000000       8.395031 
1 1 1 -29 5   22 o 23.567  9.1644  187.231    75.251   160.945    102.899  217.451    110.330  18.762  8.8232  20.290  9.4062  -1.528112      12.89668 
1 1 1 -29 5   23 o 18.945  8.4520  130.608    78.963   136.907    125.283  126.456    101.707  17.064  8.4170  17.483  8.3769  -0.4190445     11.87512 
1 1 1 -29 5   24 o 16.235  7.7028  77.853     81.740   90.813     121.960  67.283     110.139  16.043  7.9809  15.657  7.7536  0.3860464      11.12716 
1 1 1 -29 5   25 o 22.483  9.3404  206.783    83.934   233.590    114.852  176.056    122.964  19.701  9.2819  17.602  8.6126  2.098440       12.66219 
1 1 1 -29 5   26 f 18.086  8.7375  191.021    116.205  -53.4487   253.888  255.807    130.699  ?       ?       18.873  9.1542  0.000000       9.154246 
1 1 1 -29 5   27 o 16.620  8.1970  141.758    118.693  242.560    236.296  107.743    137.266  ?       ?       15.702  7.9035  0.000000       7.903518 
1 1 1 -29 5   28 o 14.375  7.0237  36.031     80.923   40.842     108.026  29.880     122.156  14.632  7.3152  14.517  7.3256  0.1147022      10.35262 
1 1 1 -29 5   29 o 15.097  7.2695  61.679     78.817   91.466     110.113  30.384     112.868  15.503  7.6908  14.388  7.2321  1.115780       10.55708 
1 1 1 -29 5   30 o 14.971  7.2178  59.541     78.298   58.714     109.945  60.392     111.532  14.808  7.3997  14.835  7.4189  -0.2638340E-01 10.47835 
1 1 1 -29 5   31 o 16.020  7.6204  91.932     81.000   129.134    112.513  51.907     116.705  16.129  7.9599  14.646  7.3608  1.483867       10.84162 
1 1 1 -29 5   32 o 15.342  7.6102  88.524     107.727  196.439    255.351  65.159     118.818  ?       ?       14.836  7.4529  0.000000       7.452851 
1 1 1 -29 5   33 o 12.877  6.4013  -13.1177   77.852   58.429     110.791  -82.9058   109.421  14.753  7.3806  ?       ?       0.000000       7.380638 
1 1 1 -29 5   34 o 15.025  7.4817  70.820     108.214  70.820     108.214  0.0000     0.0000   15.025  7.4817  ?       ?       0.000000       7.481668 
1 1 1 -29 5   35 o 20.674  9.7642  340.032    128.528  340.032    128.528  0.0000     0.0000   20.674  9.7642  ?       ?       0.000000       9.764159 
1 1 1 -29 5   36 o 12.456  6.2930  -60.6628   91.724   -60.6628   91.724   0.0000     0.0000   12.456  6.2930  ?       ?       0.000000       6.293000 
1 1 1 -29 5   37 o 18.537  8.7316  197.184    101.535  101.646    115.799  514.893    211.171  15.460  7.7050  17.785  9.0403  -2.324710      11.87826 
1 1 1 -29 5   38 o 11.826  5.8757  -30.6283   65.263   125.635    99.580   -148.2842  86.408   16.203  7.8892  ?       ?       0.000000       7.889246 
1 1 1 -29 5   39 o 13.960  6.6977  41.010     65.500   -77.1789   99.148   132.538    87.251   12.176  6.1896  16.715  7.9386  -4.538740      10.06639 
1 1 1 -29 5   40 o 16.445  7.5047  102.490    66.487   21.131     95.356   179.467    92.753   13.401  6.7246  17.591  8.3043  -4.190189      10.68560 
1 1 1 -29 5   41 o 12.577  6.3604  -11.7440   95.641   94.570     358.753  -19.8780   99.233   ?       ?       12.517  6.3455  0.000000       6.345546 
1 1 1 -29 6   1  o 17.442  7.1395  72.566     48.083   48.858     66.504   98.532     69.599   15.351  7.1786  17.870  7.9565  -2.519050      10.71626 
1 1 1 -29 6   2  o 13.107  6.1207  12.046     48.078   52.620     70.011   -24.1654   66.140   15.619  7.3233  12.676  6.2256  2.942703       9.611977 
1 1 1 -29 6   3  o 11.067  5.4552  -45.1357   52.331   -82.8574   67.186   13.047     83.442   11.287  5.6611  14.492  7.0918  -3.205314      9.074263 
1 1 1 -29 6   4  o 11.005  5.4330  -48.8984   52.608   -57.4266   73.787   -40.0814   75.027   12.340  6.1499  12.826  6.3601  -0.4856958     8.847164 
1 1 1 -29 6   5  o 14.285  6.7510  20.862     61.611   -15.8649   81.153   70.832     94.660   13.768  6.7880  16.437  7.9272  -2.669110      10.43637 
1 1 1 -29 6   6  o 22.009  9.7825  226.268    104.755  280.310    257.741  215.575    114.652  ?       ?       20.555  9.5495  0.000000       9.549526 
1 1 1 -29 6   7  o 14.505  7.1087  3.8719     84.773   -52.8475   204.073  15.701     93.194   ?       ?       15.018  7.3787  0.000000       7.378678 
1 1 1 -29 6   8  o 11.542  5.7943  -91.2633   71.219   -177.5133  170.106  -72.9316   78.423   ?       ?       12.399  6.2037  0.000000       6.203744 
1 1 1 -29 6   9  o 16.521  7.3891  60.337     60.761   95.267     81.934   17.655     90.572   17.827  8.2077  15.084  7.3830  2.742248       11.03970 
1 1 1 -29 6   10 o 23.871  8.6997  157.138    65.406   117.621    92.430   196.771    92.566   18.420  8.5631  22.326  9.5663  -3.906071      12.83907 
1 1 1 -29 6   11 o 11.770  5.7738  -39.1107   56.354   10.900     78.152   -93.2790   81.336   14.602  7.0820  12.198  6.1326  2.404013       9.368181 
1 1 1 -29 6   12 o 13.654  6.4808  6.8857     57.968   -14.0491   83.335   26.511     80.687   14.059  6.9212  15.170  7.3169  -1.111311      10.07180 
1 1 1 -29 6   13 o 15.562  7.0981  43.960     59.384   -7.7381    82.871   98.527     85.139   14.198  6.9723  17.878  8.2790  -3.680093      10.82380 
1 1 1 -29 6   14 o 14.331  6.6927  22.166     57.500   41.651     83.810   4.8383     79.034   15.681  7.5374  14.407  7.0176  1.274463       10.29848 
1 1 1 -29 6   15 o 10.417  5.1984  -74.5943   53.480   -4.5988    79.009   -133.7818  72.653   14.099  6.8995  10.841  5.4888  3.257866       8.816431 
1 1 1 -29 6   16 o 15.588  7.0617  46.253     57.528   -15.2040   87.464   93.112     76.373   14.078  6.9606  17.799  8.0919  -3.720878      10.67374 
1 1 1 -29 6   17 o 36.274  8.2881  290.724    71.353   272.199    103.323  307.612    98.655   24.630  10.309  28.156  10.607  -3.526024      14.79072 
1 1 1 -29 6   18 o 19.315  8.7145  138.620    86.592   156.958    97.414   69.569     189.027  19.370  8.9298  ?       ?       0.000000       8.929787 
1 1 1 -29 6   19 o 14.533  7.1255  11.725     85.450   5.0294     95.037   39.981     195.222  14.582  7.2178  ?       ?       0.000000       7.217796 
1 1 1 -29 6   20 o 11.944  5.9974  -79.7170   76.463   -121.6264  83.350   142.917    192.108  11.610  5.8783  ?       ?       0.000000       5.878271 
1 1 1 -29 6   21 o 18.422  7.9773  101.971    65.691   16.429     90.705   196.327    95.264   14.593  7.1914  20.867  9.2984  -6.273691      11.75482 
1 1 1 -29 6   22 o 11.453  5.7379  -72.6616   68.050   -18.8797   112.209  -103.9494  85.585   14.208  7.1506  11.910  6.0224  2.298204       9.348817 
1 1 1 -29 6   23 o 15.695  7.4855  63.121     79.237   55.341     123.264  68.600     103.440  15.389  7.7112  15.688  7.7211  -0.2997627     10.91226 
1 1 1 -29 6   24 o 14.423  6.9422  31.866     71.698   44.004     106.094  21.662     97.272   15.014  7.4651  14.483  7.1920  0.5312643      10.36592 
1 1 1 -29 6   25 o 15.132  7.4824  56.033     101.182  345.539    239.217  -7.0453    111.662  ?       ?       14.051  7.0795  0.000000       7.079458 
1 1 1 -29 6   26 o 13.132  6.6519  -57.6175   107.553  -125.6205  217.607  -35.6352   123.722  ?       ?       13.750  6.9823  0.000000       6.982285 
1 1 1 -29 6   27 o 13.440  6.6401  3.3898     79.051   -43.7770   106.263  61.839     118.292  13.219  6.6871  14.980  7.5132  -1.761024      10.05812 
1 1 1 -29 6   28 o 14.499  7.0671  43.652     80.513   -11.5073   109.721  108.004    118.511  13.687  6.9109  15.680  7.8114  -1.993394      10.42968 
1 1 1 -29 6   29 o 13.310  6.5638  5.7380     76.044   -11.6185   107.355  23.216     107.731  13.590  6.8589  14.151  7.1072  -0.5607719     9.877092 
1 1 1 -29 6   30 o 14.237  6.9208  38.892     75.807   39.789     101.793  37.776     113.590  14.377  7.1745  14.384  7.2333  -0.6568909E-02 10.18797 
1 1 1 -29 6   31 o 19.940  9.3464  273.288    113.876  691.142    267.408  180.725    125.858  ?       ?       16.697  8.2724  0.000000       8.272408 
1 1 1 -29 6   32 o 14.682  7.1283  53.668     79.743   -4.8147    110.195  117.962    115.541  13.681  6.9100  15.760  7.8282  -2.079185      10.44171 
1 1 1 -29 6   33 o 17.710  8.6803  229.220    126.505  229.220    126.505  0.0000     0.0000   17.710  8.6803  ?       ?       0.000000       8.680274 
1 1 1 -29 6   34 o 14.038  7.0297  19.386     101.637  19.386     101.637  0.0000     0.0000   14.038  7.0297  ?       ?       0.000000       7.029729 
1 1 1 -29 6   35 o 12.985  6.5805  -52.1681   106.133  -52.1681   106.133  0.0000     0.0000   12.985  6.5805  ?       ?       0.000000       6.580508 
1 1 1 -29 6   36 o 16.352  8.0597  144.258    114.125  180.721    126.541  -14.6679   264.182  16.684  8.2708  ?       ?       0.000000       8.270818 
1 1 1 -29 6   37 f 13.763  6.6653  30.122     68.598   -72.5087   107.151  101.398    89.296   12.607  6.4114  15.862  7.6622  -3.254707      9.990744 
1 1 1 -29 6   38 o 18.833  8.2848  149.180    73.287   215.008    111.393  98.939     97.315   17.750  8.5702  15.358  7.5447  2.392230       11.41801 
1 1 1 -29 6   39 o 11.691  5.8124  -24.8022   64.261   -73.0449   98.717   10.673     84.652   ?       ?       13.118  6.5457  0.000000       6.545686 
1 1 1 -29 6   40 f 14.861  7.3736  111.282    101.414  -141.0288  355.487  133.636    105.811  ?       ?       15.208  7.5432  0.000000       7.543217 
1 1 1 -29 7   1  o 19.895  7.6333  102.178    51.689   156.621    70.289   38.065     76.276   21.772  8.7333  14.932  7.1804  6.840407       11.30615 
1 1 1 -29 7   2  o 16.520  7.3280  67.130     58.495   135.610    83.095   -0.1423    82.359   19.011  8.5610  13.986  6.8843  5.025616       10.98564 
1 1 1 -29 7   3  o 9.9265  4.9771  -82.3928   51.721   -119.1120  73.511   -46.3957   72.784   11.015  5.5708  12.465  6.1953  -1.450293      8.331598 
1 1 1 -29 7   4  o 14.807  7.2303  22.185     85.362   81.195     191.841  7.6175     95.318   ?       ?       14.632  7.2401  0.000000       7.240091 
1 1 1 -29 7   5  o 13.374  6.6420  -33.0148   83.032   58.226     238.294  -45.6236   88.584   ?       ?       13.329  6.6579  0.000000       6.657942 
1 1 1 -29 7   6  o 13.425  6.6696  -34.3612   84.020   -3.4166    245.076  -38.4827   89.440   ?       ?       13.553  6.7569  0.000000       6.756878 
1 1 1 -29 7   7  o 14.084  6.6501  17.440     59.555   -47.9024   82.950   86.955     85.557   13.105  6.5295  17.172  8.0658  -4.066856      10.37743 
1 1 1 -29 7   8  o 18.042  7.8010  86.401     62.629   50.899     85.167   128.205    92.419   15.898  7.6301  18.653  8.6336  -2.755301      11.52207 
1 1 1 -29 7   9  o 16.831  7.4389  66.305     59.752   125.894    80.542   -6.6393    89.111   19.316  8.5820  14.345  7.0803  4.971159       11.12571 
1 1 1 -29 7   10 o 13.826  6.6291  5.8843     63.926   -38.8631   82.589   72.755     100.962  13.343  6.6261  16.584  8.0444  -3.240762      10.42194 
1 1 1 -29 7   11 o 14.148  6.6444  18.914     58.028   2.0105     81.663   36.154     82.471   14.358  7.0240  15.424  7.4293  -1.066040      10.22406 
1 1 1 -29 7   12 o 11.033  5.4751  -60.6526   56.019   -16.2278   77.950   -108.1022  80.560   13.706  6.7369  11.821  5.9630  1.884539       8.996856 
1 1 1 -29 7   13 o 13.972  6.6346  12.995     60.890   44.969     87.023   -17.6739   85.227   15.726  7.5884  13.937  6.8872  1.788833       10.24780 
1 1 1 -29 7   14 o 14.645  6.8775  27.511     62.153   12.399     86.683   43.499     89.163   14.733  7.2135  15.664  7.5890  -0.9309044     10.47032 
1 1 1 -29 7   15 o 14.802  6.8993  32.238     60.622   75.384     88.985   -5.1283    82.812   16.650  7.9390  14.116  6.9395  2.534934       10.54438 
1 1 1 -29 7   16 o 13.027  6.2407  -1.9362    56.384   31.620     82.262   -31.6691   77.434   15.125  7.3182  13.175  6.5204  1.949980       9.801669 
1 1 1 -29 7   17 o 13.827  6.7809  -5.7070    77.531   46.017     84.703   -272.9402  192.530  15.548  7.4986  ?       ?       0.000000       7.498627 
1 1 1 -29 7   18 o 13.281  6.5735  -26.1388   78.784   -31.2228   86.104   0.0084     195.268  13.456  6.6960  ?       ?       0.000000       6.695998 
1 1 1 -29 7   19 o 54.030  11.427  910.943    145.127  1185.28    172.070  234.850    270.125  57.826  12.618  ?       ?       0.000000       12.61834 
1 1 1 -29 7   20 o 20.574  8.4108  133.609    66.622   203.959    91.347   53.665     97.377   21.684  9.3985  15.536  7.6150  6.148196       12.09626 
1 1 1 -29 7   21 o 16.812  7.6553  81.333     68.701   114.332    99.698   51.494     94.803   17.068  8.2082  15.365  7.5274  1.703082       11.13716 
1 1 1 -29 7   22 o 13.534  6.6052  3.8254     70.997   2.6148     114.129  4.5896     90.679   14.429  7.2555  14.074  6.9811  0.3556185      10.06870 
1 1 1 -29 7   23 o 18.972  8.3221  130.441    73.482   87.756     103.591  173.672    104.251  15.952  7.8260  18.395  8.7196  -2.443088      11.71655 
1 1 1 -29 7   24 o 13.948  6.9488  5.4678     93.855   -146.4132  214.142  41.580     104.418  ?       ?       14.796  7.3647  0.000000       7.364674 
1 1 1 -29 7   25 o 14.800  7.3607  47.814     103.443  -17.1315   223.361  65.547     116.715  ?       ?       15.119  7.5652  0.000000       7.565183 
1 1 1 -29 7   26 o 17.368  8.3839  162.219    106.482  446.977    239.580  92.122     118.868  ?       ?       15.455  7.7188  0.000000       7.718808 
1 1 1 -29 7   27 o 16.047  7.5847  88.459     77.820   98.896     111.588  78.578     108.581  15.572  7.7277  15.200  7.5566  0.3718300      10.80832 
1 1 1 -29 7   28 o 12.820  6.3686  -13.1198   76.534   45.200     107.953  -72.0524   108.519  14.496  7.2570  12.753  6.4821  1.743675       9.730508 
1 1 1 -29 7   29 o 14.934  7.2238  62.200     80.035   44.588     111.819  80.700     114.605  14.449  7.2547  15.059  7.5296  -0.6100435     10.45588 
1 1 1 -29 7   30 o 16.121  7.9404  131.749    110.114  222.153    268.400  113.453    120.743  ?       ?       15.524  7.7572  0.000000       7.757153 
1 1 1 -29 7   31 o 12.469  6.3146  -64.0435   96.510   -94.0892   219.947  -56.8793   107.402  ?       ?       12.867  6.5311  0.000000       6.531109 
1 1 1 -29 7   32 o 14.415  7.2657  42.562     118.230  42.562     118.230  0.0000     0.0000   14.415  7.2657  ?       ?       0.000000       7.265714 
1 1 1 -29 7   33 o ?       ?       -240.1116  98.434   -240.1116  98.434   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 7   34 o ?       ?       -129.0349  103.604  -129.0349  103.604  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 7   35 o 12.993  6.5650  -37.0417   100.092  -62.4767   108.915  101.145    253.865  12.852  6.5289  ?       ?       0.000000       6.528941 
1 1 1 -29 7   36 o 15.324  7.5875  95.117     105.297  98.943     114.977  75.225     262.181  15.254  7.6141  ?       ?       0.000000       7.614090 
1 1 1 -29 7   37 o 16.172  7.5364  96.599     72.297   59.596     109.198  125.478    96.469   14.422  7.2310  16.098  7.8214  -1.676558      10.65183 
1 1 1 -29 7   38 o 12.229  6.0596  -10.2349   67.613   -34.3259   102.597  8.2604     89.895   12.707  6.4428  13.174  6.5990  -0.4673042     9.222642 
1 1 1 -29 7   39 o 12.626  6.3838  -15.6807   95.979   173.746    383.354  -28.3489   99.137   ?       ?       12.497  6.3364  0.000000       6.336395 
1 1 1 -29 7   40 o 13.855  6.9357  75.505     98.579   -216.1329  362.186  98.838     102.446  ?       ?       14.233  7.1169  0.000000       7.116929 
1 1 1 -29 8   1  o 17.880  7.4339  83.545     53.225   72.358     83.737   91.128     68.945   16.057  7.6686  17.339  7.8040  -1.282207      10.94122 
1 1 1 -29 8   2  o 19.519  8.1197  115.326    63.552   108.748    91.374   121.489    88.450   17.288  8.1854  17.908  8.3424  -0.6202335     11.68743 
1 1 1 -29 8   3  o 16.689  7.9152  85.303     86.132   192.758    196.836  59.855     95.790   ?       ?       15.780  7.6950  0.000000       7.695035 
1 1 1 -29 8   4  o 13.393  6.6606  -30.4905   84.697   71.502     195.965  -53.9191   93.922   ?       ?       13.271  6.6613  0.000000       6.661321 
1 1 1 -29 8   5  o 18.379  8.6090  135.290    96.347   166.711    254.038  130.011    104.126  ?       ?       17.856  8.5343  0.000000       8.534334 
1 1 1 -29 8   6  f 14.402  6.8454  22.975     65.103   94.091     87.529   -65.0880   97.401   17.221  8.1103  13.286  6.6835  3.934480       10.50937 
1 1 1 -29 8   7  o 14.948  6.9883  35.566     62.950   72.557     92.028   3.0378     86.298   16.435  7.8993  14.373  7.0698  2.061270       10.60100 
1 1 1 -29 8   8  o 25.490  9.0351  189.025    69.985   116.497    96.638   269.015    101.488  17.858  8.4441  24.620  10.253  -6.762472      13.28257 
1 1 1 -29 8   9  o 19.252  8.1494  108.199    65.758   65.734     88.314   161.038    98.512   16.298  7.8082  19.510  8.9890  -3.211840      11.90674 
1 1 1 -29 8   10 o 17.222  7.6293  75.817     63.201   50.237     86.159   105.614    92.992   15.797  7.6050  17.625  8.3187  -1.828722      11.27104 
1 1 1 -29 8   11 o 18.290  7.8898  92.409     63.768   68.958     89.455   116.638    90.927   16.403  7.8586  18.123  8.4478  -1.719849      11.53794 
1 1 1 -29 8   12 o 23.775  8.8110  165.259    67.537   160.553    94.031   170.274    97.063   19.811  8.9958  20.005  9.1054  -0.1943722     12.79972 
1 1 1 -29 8   13 o 23.320  8.8248  163.057    68.487   187.651    95.627   137.158    98.131   20.917  9.3188  18.526  8.6813  2.391380       12.73594 
1 1 1 -29 8   14 o 14.936  6.9507  36.304     61.150   69.102     82.418   -3.8608    91.206   16.383  7.7620  14.315  7.0830  2.068405       10.50791 
1 1 1 -29 8   15 o 15.776  7.2058  53.021     61.472   -7.4084    91.770   102.203    82.791   14.207  7.0432  17.677  8.1783  -3.470021      10.79310 
1 1 1 -29 8   16 o 13.996  6.9099  -6.2580    85.083   8.4402     94.302   -70.5949   197.296  14.577  7.2109  ?       ?       0.000000       7.210925 
1 1 1 -29 8   17 o 15.735  7.5752  56.720     85.477   34.036     94.034   164.610    205.074  15.125  7.4273  ?       ?       0.000000       7.427324 
1 1 1 -29 8   18 o 13.969  6.8681  1.7892     81.173   -18.8693   89.783   94.263     189.956  13.730  6.8331  ?       ?       0.000000       6.833068 
1 1 1 -29 8   19 o 26.259  9.2651  215.994    73.512   278.877    103.386  151.691    104.547  23.730  10.138  18.100  8.6231  5.630657       13.30890 
1 1 1 -29 8   20 o 18.905  8.2897  124.119    72.852   -132.6423  106.809  347.494    99.622   ?       ?       29.040  10.713  0.000000       10.71328 
1 1 1 -29 8   21 o 23.888  9.3793  212.674    79.421   293.779    121.823  152.722    104.739  21.064  9.8053  17.789  8.5175  3.275389       12.98818 
1 1 1 -29 8   22 o 18.276  8.1067  117.201    71.587   151.046    103.542  86.208     99.085   17.616  8.4436  15.910  7.7734  1.705355       11.47694 
1 1 1 -29 8   23 o 19.104  9.0757  227.518    114.154  137.758    232.571  256.006    131.023  ?       ?       18.652  9.0746  0.000000       9.074557 
1 1 1 -29 8   24 o 16.598  8.1219  134.853    109.433  55.784     229.150  158.214    124.554  ?       ?       16.643  8.2426  0.000000       8.242599 
1 1 1 -29 8   25 o 17.130  8.2943  155.663    106.145  362.162    236.049  103.325    118.837  ?       ?       15.600  7.7796  0.000000       7.779602 
1 1 1 -29 8   26 o 12.921  6.3575  -1.7573    69.978   11.870     97.574   -16.1898   100.416  13.833  6.9213  13.385  6.7403  0.4478722      9.661010 
1 1 1 -29 8   27 o 17.897  8.0091  122.368    71.493   10.705     98.653   245.874    103.753  13.760  6.8956  20.091  9.2451  -6.331141      11.53348 
1 1 1 -29 8   28 o 14.251  6.8646  42.285     70.449   -32.0097   104.073  105.122    95.712   13.121  6.6355  15.847  7.7201  -2.726204      10.17992 
1 1 1 -29 8   29 o 17.703  8.5178  191.964    107.703  398.886    255.291  147.161    118.792  ?       ?       16.124  7.9970  0.000000       7.996989 
1 1 1 -29 8   30 o ?       ?       -106.8172  97.439   44.059     232.418  -138.9908  107.327  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 8   31 o 13.336  6.7105  -10.5391   98.607   51.008     105.542  -433.2073  276.581  14.490  7.2420  ?       ?       0.000000       7.241972 
1 1 1 -29 8   32 o 15.957  7.9056  130.913    114.931  130.913    114.931  0.0000     0.0000   15.957  7.9056  ?       ?       0.000000       7.905599 
1 1 1 -29 8   33 o 15.729  7.8150  117.817    115.440  117.817    115.440  0.0000     0.0000   15.729  7.8150  ?       ?       0.000000       7.815022 
1 1 1 -29 8   34 o 12.933  6.5388  -39.8665   100.588  -2.8710    109.311  -244.3183  256.971  13.647  6.8917  ?       ?       0.000000       6.891695 
1 1 1 -29 8   35 o 15.239  7.5653  93.903     107.342  129.889    116.941  -98.7019   270.544  15.766  7.8385  ?       ?       0.000000       7.838474 
1 1 1 -29 8   36 o 17.463  8.0380  134.113    78.513   124.533    123.300  140.647    101.824  15.348  7.6940  16.283  7.9389  -0.9346819     11.05546 
1 1 1 -29 8   37 o 12.232  6.0854  -15.0340   70.969   -31.5094   114.499  -4.7560    90.436   ?       ?       12.946  6.5031  0.000000       6.503150 
1 1 1 -29 8   38 o 15.375  7.6010  134.076    104.185  13.308     362.887  144.925    108.764  ?       ?       15.452  7.6617  0.000000       7.661717 
1 1 1 -29 8   39 o 11.982  6.0788  -38.5673   92.240   -58.0528   387.691  -37.3981   94.967   ?       ?       12.059  6.1230  0.000000       6.123004 
1 1 1 -29 9   1  o 8.7486  4.4203  -98.5301   45.330   -118.7765  78.371   -88.3512   55.569   11.194  5.6712  10.055  5.0567  1.139466       7.598245 
1 1 1 -29 9   2  o 16.064  7.7305  74.484     88.796   167.219    202.527  52.415     98.798   ?       ?       15.397  7.5714  0.000000       7.571439 
1 1 1 -29 9   3  o 16.321  7.8113  79.136     87.895   199.302    202.467  51.231     97.569   ?       ?       15.450  7.5826  0.000000       7.582561 
1 1 1 -29 9   4  o 11.786  5.9303  -86.4417   76.952   -204.2175  192.767  -64.1157   83.929   ?       ?       12.590  6.3164  0.000000       6.316385 
1 1 1 -29 9   5  o 16.819  7.5820  75.130     65.384   66.265     99.901   81.773     86.479   15.968  7.8023  16.586  7.8851  -0.6184282     11.09284 
1 1 1 -29 9   6  o 18.202  8.0035  99.726     68.324   240.499    98.845   -29.0733   94.548   22.929  9.8567  13.764  6.8757  9.164591       12.01795 
1 1 1 -29 9   7  o 17.209  7.7426  81.927     67.798   36.634     97.971   123.552    93.920   15.307  7.5297  18.008  8.4559  -2.700667      11.32255 
1 1 1 -29 9   8  o 15.594  7.2447  50.163     65.982   -32.8529   91.782   138.959    94.924   13.644  6.8092  18.595  8.6558  -4.951462      11.01304 
1 1 1 -29 9   9  o 15.387  7.1299  45.850     63.283   -11.5520   87.661   108.323    91.452   13.986  6.9246  17.584  8.2842  -3.598387      10.79708 
1 1 1 -29 9   10 o 12.647  6.2150  -27.3445   66.218   16.577     97.733   -64.6183   90.034   14.872  7.3541  12.969  6.5116  1.902735       9.822552 
1 1 1 -29 9   11 o 12.018  5.9519  -46.4446   64.952   -98.9330   92.135   5.4105     91.578   12.470  6.3006  14.486  7.1549  -2.016352      9.533620 
1 1 1 -29 9   12 o 16.818  7.6461  74.915     68.207   115.843    101.620  41.360     92.012   17.472  8.3720  15.391  7.5135  2.080575       11.24913 
1 1 1 -29 9   13 o 15.827  7.3493  56.015     67.762   174.053    103.335  -33.0342   89.754   19.349  9.0147  13.535  6.7515  5.813516       11.26271 
1 1 1 -29 9   14 o 13.955  6.6901  14.581     65.054   -27.9725   100.506  45.263     85.344   13.935  6.9800  15.387  7.4474  -1.451971      10.20705 
1 1 1 -29 9   15 o 12.425  6.2805  -97.0146   92.392   -142.3390  105.332  54.205     192.398  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 9   16 o 16.054  7.7950  72.621     95.430   42.933     109.237  168.302    196.105  15.328  7.6132  ?       ?       0.000000       7.613202 
1 1 1 -29 9   17 o 13.722  6.7627  -3.7406    80.269   32.866     88.566   -172.1066  189.939  14.866  7.2815  ?       ?       0.000000       7.281466 
1 1 1 -29 9   18 o 15.862  7.2537  61.532     62.521   64.476     90.041   58.791     86.880   15.676  7.6025  15.521  7.5125  0.1553497      10.68809 
1 1 1 -29 9   19 o 12.821  6.2503  -7.6317    63.076   -2.4381    98.277   -11.2697   82.252   14.050  7.0171  13.459  6.6714  0.5908461      9.682301 
1 1 1 -29 9   20 o 13.768  6.6302  18.464     65.611   26.516     104.761  13.267     84.161   14.606  7.2868  14.031  6.9169  0.5743170      10.04695 
1 1 1 -29 9   21 o 14.560  6.9310  40.467     67.249   -6.7567    102.259  76.456     89.268   13.860  6.9561  15.697  7.6020  -1.836623      10.30421 
1 1 1 -29 9   22 o 17.868  8.5881  178.661    108.777  306.080    249.658  148.804    120.851  ?       ?       16.625  8.2129  0.000000       8.212927 
1 1 1 -29 9   23 o 15.763  7.7471  97.025     102.980  52.881     235.213  107.493    114.541  ?       ?       15.786  7.8332  0.000000       7.833248 
1 1 1 -29 9   24 o 14.405  7.1653  39.232     98.190   -31.9027   220.143  56.898     109.707  ?       ?       14.761  7.3783  0.000000       7.378282 
1 1 1 -29 9   25 o ?       ?       -139.3042  66.196   -138.3215  90.721   -140.4232  96.807   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 9   26 o 15.652  7.3666  79.042     71.984   31.846     102.573  124.843    101.046  14.132  7.0743  16.194  7.8984  -2.062381      10.60332 
1 1 1 -29 9   27 o 13.964  6.7353  35.948     68.377   103.029    94.306   -38.4024   99.285   15.758  7.6735  12.874  6.5081  2.883325       10.06173 
1 1 1 -29 9   28 o 13.560  6.6164  23.730     71.098   -41.5385   101.355  86.958     99.758   12.854  6.5052  15.197  7.4988  -2.343152      9.927217 
1 1 1 -29 9   29 o 12.735  6.4138  -32.2455   91.126   432.503    239.822  -110.6688  98.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 9   30 f 14.208  6.8874  43.021     73.692   164.334    107.500  -64.5212   101.215  16.865  8.2084  12.531  6.3584  4.334438       10.38298 
1 1 1 -29 9   31 o 14.811  7.4401  74.611     118.372  74.611     118.372  0.0000     0.0000   14.811  7.4401  ?       ?       0.000000       7.440123 
1 1 1 -29 9   32 o 15.761  7.8391  125.629    117.430  125.629    117.430  0.0000     0.0000   15.761  7.8391  ?       ?       0.000000       7.839106 
1 1 1 -29 9   33 o 13.913  7.0307  14.490     115.050  14.490     115.050  0.0000     0.0000   13.913  7.0307  ?       ?       0.000000       7.030705 
1 1 1 -29 9   34 o 13.957  7.0500  22.924     114.832  96.191     124.804  -381.3912  293.178  15.018  7.5563  ?       ?       0.000000       7.556275 
1 1 1 -29 9   35 o 14.682  7.0741  62.100     74.925   46.455     120.283  72.019     95.775   14.176  7.1658  14.716  7.2776  -0.5406618     10.21334 
1 1 1 -29 9   36 o 13.591  6.6098  34.558     69.360   -63.0193   106.966  105.350    91.110   ?       ?       15.429  7.5198  0.000000       7.519803 
1 1 1 -29 9   37 o 13.309  6.5036  32.422     69.452   59.986     115.606  16.855     86.878   13.902  7.0271  13.090  6.5465  0.8121719      9.603993 
1 1 1 -29 9   38 o 14.359  7.1458  96.813     98.156   349.785    367.495  77.380     101.856  ?       ?       13.929  6.9842  0.000000       6.984195 
1 1 1 -29 10  1  o 18.402  8.1869  119.779    73.543   97.741     218.402  122.597    78.104   ?       ?       18.190  8.2354  0.000000       8.235406 
1 1 1 -29 10  2  o 19.479  8.9398  179.493    96.140   401.560    219.411  126.726    106.954  ?       ?       17.050  8.2727  0.000000       8.272660 
1 1 1 -29 10  3  o 16.323  7.7328  79.773     81.766   -209.3183  197.948  139.247    89.784   ?       ?       18.379  8.5078  0.000000       8.507805 
1 1 1 -29 10  4  o 19.356  8.2350  120.891    67.718   54.686     98.533   180.152    93.222   15.478  7.6011  20.044  9.0429  -4.566018      11.81315 
1 1 1 -29 10  5  o 17.017  7.6853  82.589     67.537   73.612     98.140   90.666     93.084   16.026  7.8094  16.601  7.9700  -0.5747166     11.15826 
1 1 1 -29 10  6  o 10.872  5.4392  -73.8744   60.227   -60.2956   87.783   -85.9508   82.784   12.817  6.4344  12.106  6.0993  0.7109041      8.865871 
1 1 1 -29 10  7  o 13.259  6.4138  -0.5340    63.109   -45.5055   94.973   35.025     84.451   13.388  6.7168  14.995  7.2928  -1.607195      9.914704 
1 1 1 -29 10  8  o 26.944  9.1504  213.447    71.423   68.979     100.223  362.525    101.810  15.991  7.8139  30.333  10.882  -14.34179      13.39675 
1 1 1 -29 10  9  o 13.905  6.7251  10.359     69.297   -45.3958   95.093   73.498     101.194  13.413  6.7283  16.110  7.8679  -2.697662      10.35244 
1 1 1 -29 10  10 o 12.744  6.2480  -20.1998   65.709   -2.3621    95.665   -36.1319   90.411   14.274  7.0957  13.425  6.7089  0.8489351      9.765124 
1 1 1 -29 10  11 o 16.489  7.6184  73.255     71.485   92.330     102.620  55.273     99.637   16.572  8.0551  15.632  7.6703  0.9397240      11.12287 
1 1 1 -29 10  12 o 13.603  6.5715  6.3115     65.721   -106.8057  99.385   94.215     87.611   12.560  6.3656  16.920  8.0123  -4.359766      10.23318 
1 1 1 -29 10  13 o 11.645  5.7807  -50.2763   62.636   -32.9333   98.918   -61.8843   80.927   13.696  6.8692  12.454  6.2418  1.241723       9.281496 
1 1 1 -29 10  14 o 20.955  9.6790  256.421    115.276  295.974    133.479  140.336    228.667  20.466  9.7484  ?       ?       0.000000       9.748413 
1 1 1 -29 10  15 o 19.476  9.1193  200.920    107.911  256.219    122.577  10.428     227.505  20.098  9.5054  ?       ?       0.000000       9.505404 
1 1 1 -29 10  16 o 14.662  7.2667  24.833     97.481   77.802     109.562  -176.3961  213.548  15.843  7.8251  ?       ?       0.000000       7.825092 
1 1 1 -29 10  17 o 21.868  8.7623  163.943    70.674   67.809     109.653  232.256    92.435   15.535  7.7011  22.558  9.6098  -7.022320      12.31480 
1 1 1 -29 10  18 o 10.336  5.2364  -118.7595  66.837   -162.4698  120.075  -99.1367   80.453   ?       ?       11.556  5.8431  0.000000       5.843140 
1 1 1 -29 10  19 o 17.004  7.8457  99.686     75.442   -76.3344   130.157  188.742    92.580   ?       ?       19.802  8.9655  0.000000       8.965489 
1 1 1 -29 10  20 o 12.890  6.3165  -4.5321    66.883   -25.0724   106.751  8.7415     85.815   13.570  6.8475  13.785  6.8296  -0.2148571     9.671192 
1 1 1 -29 10  21 o 19.594  9.2326  250.644    113.675  696.359    313.103  182.973    122.000  ?       ?       17.187  8.4441  0.000000       8.444105 
1 1 1 -29 10  22 o 16.962  8.2247  150.628    105.258  391.034    307.936  118.823    112.005  ?       ?       15.970  7.8925  0.000000       7.892494 
1 1 1 -29 10  23 o 14.793  7.3491  61.514     102.011  60.847     244.738  61.654     112.225  ?       ?       14.761  7.3908  0.000000       7.390768 
1 1 1 -29 10  24 o 12.724  6.2967  -8.3982    72.140   -17.9199   97.307   3.2212     107.493  13.191  6.6416  13.699  6.9077  -0.5078907     9.582695 
1 1 1 -29 10  25 o 15.198  7.2707  72.060     75.955   15.787     114.728  115.972    101.347  13.893  7.0208  15.867  7.7753  -1.973783      10.47600 
1 1 1 -29 10  26 o 11.407  5.7124  -50.8520   67.171   -79.2287   96.130   -23.7778   93.898   12.147  6.1671  12.930  6.5119  -0.7829819     8.968719 
1 1 1 -29 10  27 o 15.678  7.4050  85.002     73.941   71.241     105.558  98.260     103.607  14.726  7.3418  15.307  7.5696  -0.5808964     10.54517 
1 1 1 -29 10  28 o 12.366  6.2308  -42.9621   86.577   -16.3121   216.348  -48.0435   94.471   ?       ?       12.523  6.3319  0.000000       6.331866 
1 1 1 -29 10  29 o 16.516  7.6827  105.063    74.584   100.296    108.791  109.291    102.450  15.261  7.5833  15.586  7.6734  -0.3247242     10.78825 
1 1 1 -29 10  30 f 14.507  7.2582  58.448     107.302  58.448     107.302  0.0000     0.0000   14.507  7.2582  ?       ?       0.000000       7.258176 
1 1 1 -29 10  31 o 17.955  8.5998  201.931    106.975  201.931    106.975  0.0000     0.0000   17.955  8.5998  ?       ?       0.000000       8.599752 
1 1 1 -29 10  32 o ?       ?       -211.3353  103.142  -211.3353  103.142  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 10  33 o 15.767  7.8585  141.130    120.619  107.804    133.901  284.558    277.784  15.029  7.5937  ?       ?       0.000000       7.593728 
1 1 1 -29 10  34 o 14.022  6.7684  43.389     69.384   21.912     111.235  57.067     88.769   13.750  6.9447  14.369  7.0874  -0.6191721     9.922665 
1 1 1 -29 10  35 o 16.057  7.5509  105.190    75.347   -36.4248   120.965  194.963    96.312   ?       ?       17.928  8.4628  0.000000       8.462782 
1 1 1 -29 10  36 o 12.602  6.2033  10.622     66.884   30.061     107.415  -1.6886    85.477   13.451  6.7970  12.691  6.3682  0.7596617      9.314133 
1 1 1 -29 10  37 o 12.551  6.3393  -2.8287    92.751   -185.6314  380.117  8.7442     95.642   ?       ?       12.772  6.4493  0.000000       6.449266 
1 1 1 -29 11  1  o 11.000  5.4902  -60.0300   59.737   58.567     202.421  -71.3442   62.522   ?       ?       10.934  5.4810  0.000000       5.480983 
1 1 1 -29 11  2  f 17.824  8.0304  110.185    73.222   110.665    104.910  109.729    102.244  16.502  8.0486  16.544  8.0411  -0.4151917E-01 11.37712 
1 1 1 -29 11  3  o 17.651  7.8882  100.454    69.101   82.070     104.394  114.791    92.188   15.884  7.8055  17.110  8.1363  -1.225703      11.27502 
1 1 1 -29 11  4  o 20.495  8.6390  150.534    73.396   215.265    105.959  90.828     101.763  19.998  9.2520  16.207  7.9094  3.791239       12.17206 
1 1 1 -29 11  5  o 38.267  9.4070  387.956    86.729   391.030    124.675  385.072    120.727  24.917  10.887  25.484  10.923  -0.5673542     15.42181 
1 1 1 -29 11  6  o 18.371  8.1341  112.945    71.752   136.553    105.781  92.826     97.651   17.473  8.4154  16.434  7.9570  1.038868       11.58153 
1 1 1 -29 11  7  o 45.983  8.2315  473.700    88.469   811.034    129.046  174.554    121.522  54.005  10.222  17.896  8.7139  36.10837       13.43241 
1 1 1 -29 11  8  o 19.313  8.3383  126.571    71.345   128.767    101.687  124.441    100.126  17.447  8.3642  17.370  8.3199  0.7736778E-01  11.79743 
1 1 1 -29 11  9  o 19.899  8.5784  142.385    75.284   169.550    111.776  119.830    101.850  18.233  8.7484  17.171  8.2672  1.061689       12.03660 
1 1 1 -29 11  10 o 17.687  7.9842  101.487    72.799   153.691    104.456  52.182     101.513  18.102  8.6230  15.383  7.5859  2.719451       11.48487 
1 1 1 -29 11  11 o 14.324  6.9230  24.189     73.138   56.158     107.459  -3.4021    99.829   15.453  7.6535  14.170  7.0762  1.283025       10.42351 
1 1 1 -29 11  12 o 18.216  8.0757  109.827    70.945   187.454    108.648  52.124     93.673   18.872  8.9327  15.319  7.5000  3.553286       11.66370 
1 1 1 -29 11  13 o 20.314  9.4525  241.579    113.055  186.429    132.581  388.545    216.430  17.592  8.6742  ?       ?       0.000000       8.674178 
1 1 1 -29 11  14 o 27.591  11.445  453.972    125.741  404.017    147.777  585.011    239.343  21.551  10.263  ?       ?       0.000000       10.26307 
1 1 1 -29 11  15 o 16.229  7.9779  102.360    109.372  39.833     125.115  304.978    225.224  14.989  7.5446  ?       ?       0.000000       7.544582 
1 1 1 -29 11  16 o 23.958  9.2374  206.486    75.954   176.013    111.093  233.233    104.080  17.964  8.6450  20.565  9.3868  -2.601923      12.76123 
1 1 1 -29 11  17 o 15.004  7.2310  52.179     78.401   114.651    156.693  31.316     90.551   15.675  7.9493  14.462  7.1379  1.212353       10.68372 
1 1 1 -29 11  18 o 18.320  8.2592  132.242    77.600   185.769    133.810  105.119    95.253   16.954  8.4217  16.300  7.8838  0.6533985      11.53598 
1 1 1 -29 11  19 o 20.634  8.9038  183.545    81.259   206.334    137.249  171.245    100.831  17.054  8.4810  17.989  8.5410  -0.9350853     12.03641 
1 1 1 -29 11  20 o 12.795  6.4313  -35.8633   89.216   48.611     287.802  -44.8438   93.839   ?       ?       12.779  6.4451  0.000000       6.445117 
1 1 1 -29 11  21 o 14.508  7.2010  47.893     97.042   220.310    279.665  24.292     103.471  ?       ?       14.075  7.0549  0.000000       7.054857 
1 1 1 -29 11  22 o 11.951  6.0460  -74.1503   86.929   -9.6692    297.306  -80.1782   90.902   ?       ?       12.014  6.0886  0.000000       6.088596 
1 1 1 -29 11  23 o 13.188  6.4951  9.4290     73.657   193.516    105.695  -164.3851  102.704  17.783  8.5258  ?       ?       0.000000       8.525788 
1 1 1 -29 11  24 o 12.717  6.2766  -2.3582    70.041   36.045     102.987  -35.4074   95.539   14.070  7.0500  12.752  6.4398  1.318050       9.548468 
1 1 1 -29 11  25 o 13.387  6.5205  22.539     68.190   29.178     93.975   15.156     99.100   13.852  6.9094  13.632  6.8425  0.2199850      9.724150 
1 1 1 -29 11  26 o 19.327  8.3761  155.255    72.546   90.850     102.696  219.408    102.495  15.074  7.4688  18.663  8.7857  -3.589375      11.53134 
1 1 1 -29 11  27 o ?       ?       -135.4243  84.498   -489.7311  240.296  -85.4319   90.263   ?       ?       11.780  5.9803  0.000000       5.980271 
1 1 1 -29 11  28 o 18.968  8.4523  163.945    78.713   215.957    114.299  117.026    108.557  17.583  8.5360  15.516  7.6862  2.067219       11.48659 
1 1 1 -29 11  29 o 12.674  6.4230  -47.4596   101.058  -47.4596   101.058  0.0000     0.0000   12.674  6.4230  ?       ?       0.000000       6.423027 
1 1 1 -29 11  30 o 12.293  6.2177  -57.4341   91.675   -57.4341   91.675   0.0000     0.0000   12.293  6.2177  ?       ?       0.000000       6.217716 
1 1 1 -29 11  31 o ?       ?       -154.9192  101.572  -154.9192  101.572  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 11  32 o 12.741  6.4072  -23.0824   89.142   30.603     99.200   -248.2673  203.167  13.878  6.9487  ?       ?       0.000000       6.948678 
1 1 1 -29 11  33 o 19.206  8.4551  166.588    76.453   54.466     112.639  262.365    104.106  14.189  7.1443  19.821  9.1705  -5.632058      11.62492 
1 1 1 -29 11  34 o 15.487  7.3017  88.095     71.303   -64.7609   105.395  217.098    96.823   ?       ?       18.618  8.6917  0.000000       8.691652 
1 1 1 -29 11  35 o 14.071  6.8471  58.596     74.692   83.167     117.901  42.123     96.536   14.164  7.1532  13.588  6.8112  0.5758038      9.877249 
1 1 1 -29 11  36 o 13.473  6.7637  51.190     97.038   -87.1675   320.161  65.186     101.828  ?       ?       13.695  6.8821  0.000000       6.882149 
1 1 1 -29 12  1  o 15.775  7.1547  65.435     59.257   191.790    106.843  9.3005     71.214   18.437  8.7650  13.461  6.5797  4.975856       10.95979 
1 1 1 -29 12  2  o 13.264  6.4386  7.5639     64.990   -24.2381   96.627   33.833     87.821   13.414  6.7362  14.492  7.1290  -1.078561      9.808073 
1 1 1 -29 12  3  o 12.034  6.0186  -52.4455   73.458   -32.8076   116.200  -65.5180   94.806   13.753  6.9609  12.707  6.4171  1.045722       9.467440 
1 1 1 -29 12  4  o 12.162  5.9906  -25.5801   62.723   -178.1177  96.939   84.268     82.263   ?       ?       16.199  7.6981  0.000000       7.698072 
1 1 1 -29 12  5  o 17.152  8.1056  114.551    88.815   51.825     238.839  124.617    95.676   ?       ?       17.213  8.2140  0.000000       8.213967 
1 1 1 -29 12  6  o 16.519  7.9177  97.649     91.032   -63.8816   257.474  120.726    97.318   ?       ?       17.061  8.1800  0.000000       8.180027 
1 1 1 -29 12  7  o 17.631  7.9609  104.449    72.428   41.414     107.770  156.370    97.809   14.979  7.4598  18.282  8.5989  -3.302881      11.38373 
1 1 1 -29 12  8  o 19.067  8.3575  131.510    73.984   29.948     104.430  233.849    104.829  14.740  7.3414  20.743  9.4495  -6.002720      11.96621 
1 1 1 -29 12  9  o 20.011  8.5398  144.947    73.231   199.761    101.191  84.671     106.113  19.700  9.0885  15.907  7.8269  3.792976       11.99424 
1 1 1 -29 12  10 o 32.171  9.7680  316.035    82.948   351.397    114.800  277.408    119.983  24.616  10.603  20.636  9.6474  3.980659       14.33486 
1 1 1 -29 12  11 o 17.101  8.2124  124.930    98.970   28.295     107.332  673.629    255.758  14.687  7.3350  ?       ?       0.000000       7.335030 
1 1 1 -29 12  12 o 15.287  7.5910  60.975     108.348  -73.8103   121.804  571.899    237.147  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  13 o ?       ?       -158.7043  95.399   -97.4349   110.422  -339.0467  189.444  12.786  6.5029  ?       ?       0.000000       6.502900 
1 1 1 -29 12  14 o ?       ?       -229.3978  94.840   -203.0533  107.157  -324.6443  203.751  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  15 o 14.666  7.0272  44.367     71.583   100.876    109.528  2.2321     94.577   15.912  7.8527  13.823  6.9009  2.088721       10.45407 
1 1 1 -29 12  16 o 13.817  6.7537  19.719     75.050   33.864     128.750  12.439     92.366   14.601  7.3834  13.930  6.9325  0.6703663      10.12788 
1 1 1 -29 12  17 o 13.988  6.8281  27.239     75.972   -27.5790   130.704  55.209     93.363   ?       ?       14.832  7.3064  0.000000       7.306367 
1 1 1 -29 12  18 f 19.518  8.6480  168.429    81.248   287.556    136.026  102.357    101.305  18.491  9.0498  15.795  7.7468  2.696028       11.91271 
1 1 1 -29 12  19 o ?       ?       -146.8472  77.305   -235.5567  276.240  -139.3097  80.522   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  20 o 11.234  5.7080  -110.3907  83.505   4.7064     287.971  -120.9575  87.254   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  21 o 13.855  6.9261  24.522     96.717   198.796    299.956  4.3010     102.174  ?       ?       13.554  6.8219  0.000000       6.821930 
1 1 1 -29 12  22 o 20.253  9.0520  220.586    91.011   245.079    140.982  203.086    119.168  16.850  8.4140  17.050  8.3705  -0.2002487     11.86848 
1 1 1 -29 12  23 o 13.608  6.7004  26.543     78.218   190.166    133.967  -58.0833   96.345   16.128  8.0754  12.369  6.2689  3.758801       10.22309 
1 1 1 -29 12  24 o 11.099  5.6015  -73.6684   71.561   -13.5486   121.848  -105.3239  88.417   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  25 o 19.312  8.5765  177.004    80.363   111.622    124.048  224.291    105.494  15.033  7.5598  18.378  8.7290  -3.345359      11.54751 
1 1 1 -29 12  26 o 13.516  6.7619  18.159     93.015   -85.4178   244.380  35.706     100.586  ?       ?       13.900  6.9655  0.000000       6.965466 
1 1 1 -29 12  27 o 11.348  5.6988  -54.0101   69.178   -137.8159  100.800  20.606     95.113   ?       ?       13.593  6.8060  0.000000       6.806002 
1 1 1 -29 12  28 f 13.053  6.5693  -10.0359   94.689   -60.6040   104.321  226.501    225.622  12.517  6.3618  ?       ?       0.000000       6.361779 
1 1 1 -29 12  29 o 13.000  6.5487  -15.8420   95.308   -15.8420   95.308   0.0000     0.0000   13.000  6.5487  ?       ?       0.000000       6.548672 
1 1 1 -29 12  30 o 14.079  7.1041  40.428     114.852  40.428     114.852  0.0000     0.0000   14.079  7.1041  ?       ?       0.000000       7.104076 
1 1 1 -29 12  31 o 11.377  5.7866  -103.5221  87.586   -149.9731  95.579   139.875    218.788  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 12  32 o 15.272  7.2444  81.091     72.222   -33.0097   106.979  176.643    97.899   12.825  6.5107  17.256  8.2551  -4.431005      10.51361 
1 1 1 -29 12  33 o 17.368  7.9768  140.040    76.745   116.566    113.563  159.772    104.118  14.948  7.4771  16.156  7.9094  -1.208373      10.88418 
1 1 1 -29 12  34 o 13.807  6.7141  50.958     71.495   21.112     106.740  75.244     96.284   13.237  6.6966  14.182  7.0610  -0.9452124     9.731535 
1 1 1 -29 12  35 o 16.602  8.1391  228.835    111.451  113.169    332.595  243.466    118.290  ?       ?       16.469  8.1340  0.000000       8.133979 
1 1 1 -29 12  36 o ?       ?       -53.1954   91.274   133.276    315.067  -70.2784   95.363   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 13  1  o 9.3096  4.6968  -90.9460   50.073   -99.6363   97.971   -87.8732   58.256   12.141  6.1699  10.123  5.1018  2.018147       8.005993 
1 1 1 -29 13  2  o 14.105  6.7398  33.609     64.850   -40.1672   100.104  86.964     85.129   13.108  6.6166  15.897  7.6294  -2.788716      10.09883 
1 1 1 -29 13  3  o 11.830  5.8768  -38.2673   65.212   142.201    98.865   -177.2588  86.764   17.256  8.2656  ?       ?       0.000000       8.265636 
1 1 1 -29 13  4  o 12.604  6.2881  -32.5541   77.985   -189.5041  195.645  -2.9068    85.032   ?       ?       13.498  6.7065  0.000000       6.706452 
1 1 1 -29 13  5  o 12.889  6.4433  -30.3027   83.724   179.134    219.413  -65.9945   90.577   ?       ?       12.480  6.2988  0.000000       6.298820 
1 1 1 -29 13  6  o 14.935  7.1081  50.433     70.660   48.948     104.898  51.666     95.605   14.900  7.4105  14.952  7.3709  -0.5197525E-01 10.45208 
1 1 1 -29 13  7  o 17.132  7.8013  98.638     71.358   -29.7629   101.714  223.085    100.136  13.442  6.7707  20.407  9.2730  -6.965541      11.48174 
1 1 1 -29 13  8  o 13.883  6.7466  20.476     71.880   -13.3377   98.634   58.773     104.969  13.655  6.8500  15.115  7.5000  -1.460455      10.15739 
1 1 1 -29 13  9  o 12.843  6.3003  -7.7157    67.131   15.936     92.984   -33.4659   97.021   14.121  7.0156  13.255  6.6682  0.8658972      9.679027 
1 1 1 -29 13  10 o 18.692  8.9750  224.562    118.109  204.939    129.732  319.586    285.483  17.563  8.6444  ?       ?       0.000000       8.644428 
1 1 1 -29 13  11 o 14.348  7.1582  24.655     101.073  -9.0317    109.639  215.315    260.836  13.875  6.9938  ?       ?       0.000000       6.993750 
1 1 1 -29 13  12 o 12.372  6.2587  -76.3153   93.187   -50.8223   101.626  -210.9649  233.560  13.031  6.5872  ?       ?       0.000000       6.587218 
1 1 1 -29 13  13 o 13.092  6.4277  0.0556     70.288   -47.4249   100.037  46.350     98.780   13.000  6.5684  14.688  7.2858  -1.687304      9.809546 
1 1 1 -29 13  14 o 14.468  7.0062  42.644     75.766   117.977    126.151  0.1374     94.761   15.760  7.8828  13.646  6.8267  2.113107       10.42797 
1 1 1 -29 13  15 o 11.348  5.7054  -68.4150   70.441   -102.8020  123.340  -51.7697   85.813   ?       ?       12.383  6.2350  0.000000       6.235014 
1 1 1 -29 13  16 o 11.411  5.7411  -67.8813   72.031   133.180    121.116  -177.9145  89.598   15.932  7.9301  ?       ?       0.000000       7.930113 
1 1 1 -29 13  17 o 11.328  5.6935  -63.9934   69.832   -74.2883   119.121  -58.6029   86.198   ?       ?       12.181  6.1476  0.000000       6.147558 
1 1 1 -29 13  18 o 14.092  7.0753  32.608     106.300  0.0000     0.0000   32.608     106.300  ?       ?       14.092  7.0753  0.000000       7.075318 
1 1 1 -29 13  19 o 15.174  7.4579  86.598     95.464   -32.8744   273.153  103.221    101.889  ?       ?       15.446  7.6136  0.000000       7.613579 
1 1 1 -29 13  20 o 16.069  7.8609  133.055    102.302  217.490    285.844  120.651    109.559  ?       ?       15.565  7.7125  0.000000       7.712502 
1 1 1 -29 13  21 o 13.927  6.8305  39.678     78.711   173.014    136.947  -26.0963   96.185   15.717  7.9085  12.812  6.4692  2.904751       10.21741 
1 1 1 -29 13  22 o 14.954  7.2290  75.451     79.860   175.343    136.389  23.335     98.514   15.698  7.8983  13.643  6.8443  2.055329       10.45120 
1 1 1 -29 13  23 o 14.417  6.9914  58.210     76.113   50.840     125.917  62.453     95.544   14.109  7.1522  14.377  7.1376  -0.2684917     10.10443 
1 1 1 -29 13  24 o 15.645  7.5106  100.802    82.629   253.644    138.957  17.195     102.773  16.721  8.3502  13.518  6.8086  3.202968       10.77419 
1 1 1 -29 13  25 o 12.203  6.1593  -43.1474   86.647   -90.1464   300.732  -38.8927   90.484   ?       ?       12.386  6.2566  0.000000       6.256594 
1 1 1 -29 13  26 o 18.033  8.3335  167.200    85.599   272.421    125.542  75.783     117.018  17.870  8.7350  14.461  7.2813  3.408840       11.37182 
1 1 1 -29 13  27 o 15.132  7.4220  92.750     92.987   117.098    101.228  -38.7925   235.286  15.523  7.6394  ?       ?       0.000000       7.639436 
1 1 1 -29 13  28 o 16.278  8.0357  169.407    114.974  169.407    114.974  0.0000     0.0000   16.278  8.0357  ?       ?       0.000000       8.035703 
1 1 1 -29 13  29 o 13.348  6.7405  1.9856     104.570  1.9856     104.570  0.0000     0.0000   13.348  6.7405  ?       ?       0.000000       6.740549 
1 1 1 -29 13  30 o 14.363  7.1768  65.310     103.305  31.997     117.629  177.654    216.013  13.828  6.9994  ?       ?       0.000000       6.999441 
1 1 1 -29 13  31 o 14.048  7.0503  54.690     105.039  61.430     117.255  27.305     236.349  14.121  7.1316  ?       ?       0.000000       7.131643 
1 1 1 -29 13  32 o 18.415  8.2674  163.360    76.830   191.509    108.180  134.712    109.135  16.606  8.1152  15.293  7.5985  1.312310       11.11727 
1 1 1 -29 13  33 o 15.050  7.1626  87.971     71.723   87.000     101.576  88.937     101.287  14.267  7.1268  14.308  7.1427  -0.4102230E-01 10.09007 
1 1 1 -29 13  34 o 11.952  6.0397  -24.6335   84.919   -3.2919    285.771  -26.7006   88.937   ?       ?       12.010  6.0798  0.000000       6.079765 
1 1 1 -29 13  35 o ?       ?       -54.2565   90.506   -13.5726   313.335  -57.9599   94.536   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 14  1  o 14.489  6.7795  47.163     59.465   47.361     108.200  47.078     71.179   14.474  7.2485  14.450  6.9457  0.2385235E-01  10.03915 
1 1 1 -29 14  2  o 12.095  6.0008  -26.9296   67.136   -50.8734   100.608  -7.7091    90.141   12.824  6.4895  13.296  6.6525  -0.4715633     9.293468 
1 1 1 -29 14  3  o 10.959  5.4980  -66.4870   63.617   -214.4737  97.370   43.735     84.033   ?       ?       14.446  7.0792  0.000000       7.079216 
1 1 1 -29 14  4  o 10.059  5.0902  -105.0501  61.889   -170.0273  91.777   -50.8614   83.812   ?       ?       12.337  6.2052  0.000000       6.205249 
1 1 1 -29 14  5  o 10.966  5.5067  -70.3138   64.568   -30.4094   95.343   -104.1180  87.753   13.089  6.5879  11.650  5.9123  1.439060       8.851876 
1 1 1 -29 14  6  o 17.456  7.8904  110.169    71.364   188.923    104.258  40.740     97.891   18.259  8.6738  14.498  7.2021  3.760950       11.27406 
1 1 1 -29 14  7  o 14.073  6.7755  32.754     68.423   62.261     94.726   0.5626     98.941   14.996  7.3821  13.727  6.8829  1.269176       10.09302 
1 1 1 -29 14  8  o ?       ?       -135.4125  61.462   -251.1423  85.721   -12.9689   88.172   ?       ?       13.243  6.6189  0.000000       6.618908 
1 1 1 -29 14  9  o 13.394  6.7323  -16.0725   97.744   -9.1310    106.102  -54.9990   251.256  13.664  6.8866  ?       ?       0.000000       6.886615 
1 1 1 -29 14  10 o 16.706  8.1616  146.409    109.137  90.813     119.527  425.132    267.625  15.328  7.6680  ?       ?       0.000000       7.668047 
1 1 1 -29 14  11 o 14.684  7.3576  53.439     112.093  53.439     112.093  0.0000     0.0000   14.684  7.3576  ?       ?       0.000000       7.357627 
1 1 1 -29 14  12 o 14.558  7.0059  48.753     72.944   15.595     100.152  86.215     106.453  13.906  6.9656  15.288  7.5803  -1.382581      10.29469 
1 1 1 -29 14  13 o 17.962  8.2534  143.245    82.288   94.409     119.317  187.541    113.635  15.231  7.6253  17.329  8.4352  -2.098144      11.37098 
1 1 1 -29 14  14 o 11.267  5.6541  -60.1890   67.498   -147.6458  108.989  -5.7748    85.969   ?       ?       13.156  6.5695  0.000000       6.569528 
1 1 1 -29 14  15 o 12.739  6.2995  -5.1360    71.734   10.455     113.487  -15.5104   92.573   13.795  6.9721  13.066  6.5655  0.7287712      9.576847 
1 1 1 -29 14  16 o 12.221  6.0838  -23.3253   71.338   -30.0937   116.434  -19.2577   90.264   13.237  6.7268  12.893  6.4792  0.3436489      9.339656 
1 1 1 -29 14  17 o 13.407  6.7309  6.0643     96.139   261.223    230.505  -47.6698   105.779  ?       ?       12.763  6.4787  0.000000       6.478704 
1 1 1 -29 14  18 o 13.265  6.6284  7.5702     88.180   75.185     220.149  -5.3509    96.238   ?       ?       13.157  6.6219  0.000000       6.621910 
1 1 1 -29 14  19 o 15.338  7.5936  112.477    105.352  327.315    247.454  64.916     116.430  ?       ?       14.345  7.2279  0.000000       7.227913 
1 1 1 -29 14  20 o 15.316  7.3641  88.905     80.155   111.714    142.568  78.364     96.923   14.707  7.4708  14.676  7.2689  0.3046989E-01  10.42349 
1 1 1 -29 14  21 o 17.240  8.0219  141.953    81.411   112.752    139.359  157.080    100.306  14.704  7.4613  16.486  8.0017  -1.781297      10.94072 
1 1 1 -29 14  22 o 13.469  6.6160  29.902     74.764   100.866    137.323  0.0063     89.132   14.550  7.3855  12.982  6.5123  1.568471       9.846569 
1 1 1 -29 14  23 o 10.452  5.2978  -96.1261   68.965   -16.1408   132.743  -125.6978  80.713   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 14  24 o 13.574  6.7801  29.762     91.854   147.704    300.031  17.565     96.488   ?       ?       13.381  6.7210  0.000000       6.721020 
1 1 1 -29 14  25 o 12.422  6.2310  -19.8763   81.526   -72.3126   126.203  17.676     106.800  ?       ?       13.483  6.8094  0.000000       6.809386 
1 1 1 -29 14  26 o 13.073  6.5064  10.298     81.447   77.006     118.893  -48.6885   111.800  14.390  7.2569  ?       ?       0.000000       7.256897 
1 1 1 -29 14  27 o 16.143  8.1165  227.708    142.613  227.708    142.613  0.0000     0.0000   16.143  8.1165  ?       ?       0.000000       8.116462 
1 1 1 -29 14  28 o ?       ?       -34.9945   118.862  -34.9945   118.862  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 14  29 o 12.636  6.4076  -35.2201   101.596  -35.2201   101.596  0.0000     0.0000   12.636  6.4076  ?       ?       0.000000       6.407623 
1 1 1 -29 14  30 o ?       ?       -122.1120  89.569   -191.4730  97.407   257.599    227.907  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 14  31 o 16.540  7.6768  122.356    73.803   122.220    105.250  122.489    103.519  15.027  7.4655  15.080  7.4766  -0.5265331E-01 10.56566 
1 1 1 -29 14  32 o 15.094  7.1808  91.988     71.956   120.994    103.005  64.342     100.561  14.802  7.3591  13.765  6.9070  1.037147       10.09273 
1 1 1 -29 14  33 o 12.854  6.5077  23.079     102.048  0.0000     0.0000   23.079     102.048  ?       ?       12.854  6.5077  0.000000       6.507735 
1 1 1 -29 14  34 o 13.422  6.7656  81.146     102.610  187.812    318.682  68.808     108.381  ?       ?       13.189  6.6804  0.000000       6.680413 
1 1 1 -29 15  1  f 20.605  8.4147  156.693    66.598   62.628     118.903  199.691    80.390   14.516  7.3127  20.979  8.9502  -6.463520      11.55777 
1 1 1 -29 15  2  o 19.252  8.4824  161.462    77.104   136.905    121.846  177.863    99.577   15.746  7.8561  17.698  8.4272  -1.952005      11.52107 
1 1 1 -29 15  3  o 14.874  7.0998  61.193     71.576   123.329    108.204  12.849     95.442   15.858  7.8221  13.655  6.8340  2.202465       10.38698 
1 1 1 -29 15  4  o 14.328  6.9150  45.713     72.329   4.3212     110.254  76.984     95.833   13.714  6.9249  15.061  7.4160  -1.346850      10.14644 
1 1 1 -29 15  5  o 16.788  7.8141  111.231    77.348   116.082    114.715  107.187    104.738  15.617  7.7646  15.638  7.7104  -0.2074814E-01 10.94254 
1 1 1 -29 15  6  o 33.114  9.8559  356.446    85.067   347.210    119.911  365.803    120.699  21.590  9.9362  22.183  10.119  -0.5928421     14.18144 
1 1 1 -29 15  7  o 16.052  7.8041  114.254    96.476   95.605     102.426  260.920    287.248  15.432  7.6117  ?       ?       0.000000       7.611669 
1 1 1 -29 15  8  o 18.006  8.6687  212.555    111.948  252.686    123.182  22.144     268.321  18.267  8.8668  ?       ?       0.000000       8.866779 
1 1 1 -29 15  9  o 13.452  6.7720  -4.5044    101.013  -52.0638   109.876  255.124    256.721  12.934  6.5692  ?       ?       0.000000       6.569247 
1 1 1 -29 15  10 o 14.529  7.2052  55.455     96.349   88.723     103.646  -156.1684  261.411  15.191  7.5227  ?       ?       0.000000       7.522670 
1 1 1 -29 15  11 o 13.028  6.3964  7.8651     69.632   -14.3415   92.902   36.332     105.186  13.079  6.5726  14.128  7.0855  -1.048673      9.664545 
1 1 1 -29 15  12 o 17.707  8.1545  141.540    80.934   95.770     121.887  177.635    108.240  15.000  7.5367  17.061  8.2882  -2.061387      11.20255 
1 1 1 -29 15  13 o 13.621  6.7120  25.615     78.988   -129.2435  123.948  131.508    102.495  ?       ?       16.049  7.8551  0.000000       7.855065 
1 1 1 -29 15  14 o 16.347  7.7398  114.144    81.682   29.604     128.368  171.662    105.884  13.969  7.0956  16.863  8.1933  -2.893547      10.83871 
1 1 1 -29 15  15 o 15.704  7.5439  100.772    83.677   20.467     121.789  172.574    115.162  13.774  6.9878  16.356  8.0683  -2.582016      10.67360 
1 1 1 -29 15  16 o 14.351  7.1415  61.890     97.944   295.861    217.140  2.1281     109.742  ?       ?       13.385  6.7734  0.000000       6.773413 
1 1 1 -29 15  17 f 12.145  6.1469  -53.1449   90.554   -258.2259  223.573  -12.8995   99.041   ?       ?       12.967  6.5498  0.000000       6.549809 
1 1 1 -29 15  18 o 13.045  6.5480  2.4400     90.764   -117.2579  219.294  27.184     99.704   ?       ?       13.585  6.8248  0.000000       6.824774 
1 1 1 -29 15  19 o 13.092  6.4668  17.582     74.881   34.908     128.190  8.6079     92.258   13.763  7.0006  13.145  6.5987  0.6180754      9.620408 
1 1 1 -29 15  20 o 13.272  6.5999  21.634     83.076   -156.9105  162.108  85.226     96.745   ?       ?       14.663  7.2624  0.000000       7.262389 
1 1 1 -29 15  21 o 16.685  7.8297  131.655    80.309   1.5162     136.090  201.188    99.476   ?       ?       17.656  8.4118  0.000000       8.411808 
1 1 1 -29 15  22 o 12.562  6.2527  -1.8699    75.287   -67.2660   133.797  28.430     91.073   ?       ?       13.450  6.7231  0.000000       6.723113 
1 1 1 -29 15  23 o 14.994  7.2234  83.952     78.041   150.406    138.560  53.076     94.446   14.973  7.5811  13.954  6.9547  1.019662       10.28790 
1 1 1 -29 15  24 o 11.034  5.6018  -91.5564   79.321   -5.3027    121.124  -156.3241  104.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 15  25 o 11.860  5.9808  -45.5148   80.645   -102.1149  124.659  -4.7786    105.756  ?       ?       13.078  6.6218  0.000000       6.621785 
1 1 1 -29 15  26 o 14.472  7.3092  90.084     123.178  90.084     123.178  0.0000     0.0000   14.472  7.3092  ?       ?       0.000000       7.309240 
1 1 1 -29 15  27 o ?       ?       75.609     142.549  75.609     142.549  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 15  28 o ?       ?       104.449    143.281  104.449    143.281  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 15  29 o 13.123  6.6633  3.5337     112.484  -110.1904  131.570  312.460    216.849  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 15  30 o 12.818  6.3510  17.906     74.251   31.151     106.546  5.4007     103.533  13.322  6.7349  12.930  6.5475  0.3911314      9.392967 
1 1 1 -29 15  31 o 13.873  6.7814  62.945     75.706   54.790     118.330  68.596     98.505   13.445  6.8276  13.745  6.8886  -0.3003454     9.698929 
1 1 1 -29 15  32 o ?       ?       -79.9678   87.280   450.220    289.340  -133.0407  91.544   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 15  33 o 13.378  6.7228  80.549     97.139   309.220    313.411  56.247     102.170  ?       ?       12.948  6.5507  0.000000       6.550652 
1 1 1 -29 16  1  o 13.856  6.6464  40.019     64.427   34.511     115.232  42.523     77.707   13.912  7.0308  13.965  6.8361  -0.5345535E-01 9.806350 
1 1 1 -29 16  2  o 15.848  7.4264  91.207     71.819   18.244     119.743  132.200    89.755   13.743  6.9673  16.494  7.8941  -2.751132      10.52901 
1 1 1 -29 16  3  o 17.354  8.0078  133.732    78.618   230.928    120.069  60.788     104.017  17.476  8.5422  14.395  7.1938  3.080855       11.16780 
1 1 1 -29 16  4  o 10.732  5.4192  -81.2251   67.517   -114.2610  104.684  -57.6951   88.349   ?       ?       12.112  6.1241  0.000000       6.124080 
1 1 1 -29 16  5  o 15.402  7.3601  83.772     77.366   24.179     118.236  128.391    102.309  13.868  7.0196  15.919  7.8032  -2.050666      10.49595 
1 1 1 -29 16  6  o 18.408  9.0624  343.772    142.904  343.772    142.904  0.0000     0.0000   18.408  9.0624  ?       ?       0.000000       9.062392 
1 1 1 -29 16  7  o 16.325  8.0614  168.087    116.025  91.229     125.911  600.668    298.712  14.780  7.4557  ?       ?       0.000000       7.455702 
1 1 1 -29 16  8  o 15.081  7.5395  103.105    114.707  102.935    124.621  104.050    293.459  14.948  7.5246  ?       ?       0.000000       7.524553 
1 1 1 -29 16  9  o 13.104  6.4819  9.9781     76.146   43.528     111.690  -19.1587   104.086  14.088  7.0957  13.076  6.6148  1.011913       9.700804 
1 1 1 -29 16  10 o 17.473  8.1338  147.630    83.839   102.079    127.771  182.070    111.101  14.838  7.4878  16.764  8.1992  -1.926378      11.10373 
1 1 1 -29 16  11 o 15.625  7.4558  94.416     78.805   -127.6421  123.936  245.129    102.103  ?       ?       19.412  9.0162  0.000000       9.016206 
1 1 1 -29 16  12 o 15.034  7.2454  78.820     78.719   -114.1329  123.434  211.094    102.199  ?       ?       18.092  8.5925  0.000000       8.592493 
1 1 1 -29 16  13 f 14.936  7.2207  78.038     79.676   -46.4875   120.801  173.920    106.001  ?       ?       16.645  8.1121  0.000000       8.112098 
1 1 1 -29 16  14 o 15.136  7.5190  112.198    106.686  -25.1450   229.917  149.884    120.436  ?       ?       15.506  7.7479  0.000000       7.747923 
1 1 1 -29 16  15 o 14.262  7.1178  66.417     100.308  -97.4429   230.181  104.829    111.447  ?       ?       14.845  7.4230  0.000000       7.422961 
1 1 1 -29 16  16 o 15.875  7.8117  150.802    105.747  207.323    242.185  137.487    117.544  ?       ?       15.233  7.6180  0.000000       7.617989 
1 1 1 -29 16  17 o 24.403  9.8091  299.320    88.877   210.643    134.964  367.221    118.100  15.848  7.9588  20.964  9.7231  -5.115733      12.56506 
1 1 1 -29 16  18 o 13.618  6.7016  40.353     77.867   -19.0301   121.138  82.164     101.648  ?       ?       14.423  7.1930  0.000000       7.192993 
1 1 1 -29 16  19 o ?       ?       -197.9989  71.573   -134.8577  116.260  -236.5335  90.824   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 16  20 o 14.339  7.0264  69.647     82.736   247.056    128.637  -55.5201   108.049  16.593  8.2449  ?       ?       0.000000       8.244872 
1 1 1 -29 16  21 o 12.544  6.2643  -2.2106    78.244   -99.7754   129.432  53.977     98.223   ?       ?       13.852  6.9328  0.000000       6.932786 
1 1 1 -29 16  22 o 13.157  6.5252  23.800     79.047   -0.6485    133.843  36.896     97.955   ?       ?       13.544  6.7988  0.000000       6.798792 
1 1 1 -29 16  23 o 12.904  6.4445  9.9863     82.844   -11.4324   125.648  26.458     110.187  ?       ?       13.438  6.7990  0.000000       6.799035 
1 1 1 -29 16  24 f 12.902  6.4518  7.4306     84.253   123.923    129.533  -77.9942   110.923  14.707  7.4344  ?       ?       0.000000       7.434401 
1 1 1 -29 16  25 o 14.169  7.1478  73.752     115.798  26.664     130.548  247.514    250.782  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 16  26 o ?       ?       26.468     153.633  26.468     153.633  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 16  27 f ?       ?       146.325    159.649  146.325    159.649  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 16  28 o ?       ?       42.828     129.493  -95.6854   152.305  404.143    245.985  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 16  29 o 16.659  7.9218  161.852    87.390   251.360    138.260  102.301    112.775  15.752  7.9290  14.235  7.1648  1.517155       10.68659 
1 1 1 -29 16  30 o 14.725  7.1544  100.123    80.715   139.378    126.360  73.065     104.907  14.291  7.2362  13.636  6.8694  0.6555023      9.977549 
1 1 1 -29 16  31 o 13.713  6.9062  95.648     105.607  86.827     261.111  97.373     115.473  ?       ?       13.607  6.8927  0.000000       6.892686 
1 1 1 -29 16  32 o 11.541  5.8669  -28.9484   89.172   33.010     234.082  -39.4660   96.445   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 17  1  o 11.893  5.8713  -11.8649   61.421   114.999    117.176  -59.9286   72.124   14.925  7.4843  11.259  5.6749  3.665686       9.392494 
1 1 1 -29 17  2  o 10.638  5.3481  -62.9760   61.845   -3.0673    114.077  -87.9127   73.599   13.242  6.7225  10.847  5.4955  2.394906       8.682885 
1 1 1 -29 17  3  o 11.681  5.8301  -30.5174   67.325   -99.1238   108.010  13.076     86.097   ?       ?       13.179  6.5802  0.000000       6.580173 
1 1 1 -29 17  4  o 15.066  7.5181  113.880    111.783  68.227     120.221  405.267    303.727  14.238  7.1943  ?       ?       0.000000       7.194289 
1 1 1 -29 17  5  o 14.909  7.4638  107.189    114.256  141.633    124.487  -76.9049   287.797  15.283  7.6708  ?       ?       0.000000       7.670808 
1 1 1 -29 17  6  o 17.399  8.5595  261.849    126.705  218.416    139.536  465.962    302.492  16.035  8.0577  ?       ?       0.000000       8.057705 
1 1 1 -29 17  7  o 13.179  6.6796  -5.5155    109.460  46.899     118.465  -311.4818  286.222  13.944  7.0544  ?       ?       0.000000       7.054421 
1 1 1 -29 17  8  o 14.427  6.9913  62.263     75.781   46.531     106.967  78.114     107.374  13.919  7.0020  14.456  7.2369  -0.5372877     10.06982 
1 1 1 -29 17  9  o 11.652  5.8574  -44.5550   74.128   -61.1972   110.953  -31.1373   99.626   ?       ?       12.634  6.4001  0.000000       6.400052 
1 1 1 -29 17  10 o 11.917  5.9788  -32.8089   75.245   79.061     115.423  -115.4916  99.229   14.350  7.2261  ?       ?       0.000000       7.226058 
1 1 1 -29 17  11 f 12.224  6.1062  -16.4105   74.575   17.092     113.127  -42.1582   99.174   13.431  6.8056  12.426  6.3041  1.005202       9.276740 
1 1 1 -29 17  12 o 13.239  6.5435  24.923     77.077   40.387     115.996  12.698     103.139  13.721  6.9457  13.257  6.6947  0.4635649      9.646876 
1 1 1 -29 17  13 o 13.556  6.8146  34.433     100.302  -354.8374  220.399  136.115    112.643  ?       ?       15.239  7.5953  0.000000       7.595323 
1 1 1 -29 17  14 o 14.935  7.4414  116.638    107.735  53.589     232.276  133.919    121.607  ?       ?       14.936  7.5075  0.000000       7.507513 
1 1 1 -29 17  15 o 13.388  6.7516  28.125     102.820  -229.4506  215.212  104.307    117.041  ?       ?       14.511  7.3029  0.000000       7.302946 
1 1 1 -29 17  16 o 16.708  7.8600  141.437    81.779   79.240     125.116  187.829    108.057  14.052  7.1240  16.370  8.0234  -2.318152      10.72966 
1 1 1 -29 17  17 f 14.337  7.0274  72.885     82.956   83.054     123.756  64.587     111.790  14.082  7.1335  13.896  7.0113  0.1865873      10.00230 
1 1 1 -29 17  18 f 12.606  6.2958  3.3908     79.093   49.396     122.814  -29.2104   103.386  13.643  6.9307  12.507  6.3544  1.135309       9.402822 
1 1 1 -29 17  19 o 14.345  7.0161  73.429     81.349   130.251    125.648  32.422     106.740  14.650  7.3968  13.387  6.7658  1.262249       10.02441 
1 1 1 -29 17  20 o 15.080  7.2568  94.155     78.235   1.5203     125.734  152.679    99.939   ?       ?       15.837  7.7523  0.000000       7.752346 
1 1 1 -29 17  21 o 11.191  5.6633  -66.9009   76.723   -100.7217  121.587  -44.5244   98.898   ?       ?       12.219  6.2085  0.000000       6.208494 
1 1 1 -29 17  22 o 12.223  6.0612  -2.3347    68.142   -68.0501   136.462  19.494     78.649   ?       ?       12.975  6.4472  0.000000       6.447204 
1 1 1 -29 17  23 o 12.002  6.0310  -26.6624   78.180   22.440     153.251  -43.9368   90.897   ?       ?       12.070  6.1142  0.000000       6.114167 
1 1 1 -29 17  24 o 23.574  9.8241  313.167    93.270   339.732    143.462  293.718    122.755  17.270  8.6017  17.878  8.7165  -0.6079311     12.24611 
1 1 1 -29 17  25 o ?       ?       163.565    161.421  163.565    161.421  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 17  26 o ?       ?       -82.6680   148.622  -82.6680   148.622  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 17  27 o 12.275  6.2224  -25.7798   95.298   -93.5027   149.992  20.064     123.407  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 17  28 o 58.034  8.6322  928.298    117.852  979.390    173.542  884.569    160.550  26.219  12.025  27.217  12.103  -0.9979820     17.06126 
1 1 1 -29 17  29 o 11.301  5.7160  -43.4643   77.524   135.277    130.043  -142.0077  96.558   14.005  7.1165  ?       ?       0.000000       7.116463 
1 1 1 -29 17  30 o 13.884  6.9525  108.142    99.393   -79.9175   258.736  140.698    107.653  ?       ?       14.247  7.1484  0.000000       7.148436 
1 1 1 -29 17  31 o 13.105  6.6277  85.850     103.988  -98.3496   262.383  120.174    113.263  ?       ?       13.445  6.8121  0.000000       6.812138 
1 1 1 -29 18  1  o 14.160  6.7743  56.855     65.952   77.614     120.203  47.914     78.887   14.105  7.1331  13.760  6.7663  0.3454790      9.831783 
1 1 1 -29 18  2  o 15.131  7.5441  132.545    111.513  180.654    120.567  -152.1715  293.303  15.732  7.8437  ?       ?       0.000000       7.843692 
1 1 1 -29 18  3  o ?       ?       -24.6152   118.739  2.9081     129.421  -171.0009  298.471  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  4  o 15.275  7.6872  168.021    129.608  215.542    142.337  -62.5731   313.544  15.589  7.8711  ?       ?       0.000000       7.871076 
1 1 1 -29 18  5  o 13.523  6.8471  31.720     113.106  36.940     121.472  -2.3042    310.139  13.612  6.9128  ?       ?       0.000000       6.912760 
1 1 1 -29 18  6  o 16.108  7.6764  125.420    82.972   132.430    127.725  120.301    109.135  14.800  7.4709  14.974  7.4654  -0.1742334     10.56153 
1 1 1 -29 18  7  o 16.463  7.7703  131.998    81.139   136.137    117.425  128.215    112.246  15.050  7.5391  15.033  7.5070  0.1621151E-01  10.63925 
1 1 1 -29 18  8  o 17.052  7.9187  141.888    78.688   94.903     117.430  180.178    106.008  14.373  7.2441  16.358  8.0022  -1.984346      10.79412 
1 1 1 -29 18  9  o 15.141  7.3110  96.483     81.098   -36.0951   117.599  216.708    111.986  ?       ?       16.859  8.2425  0.000000       8.242528 
1 1 1 -29 18  10 o 17.767  8.1474  161.052    79.643   123.851    116.054  194.169    109.497  14.796  7.4238  16.429  8.0572  -1.633052      10.95582 
1 1 1 -29 18  11 o 16.451  8.0625  196.169    109.054  210.994    232.173  191.972    123.530  ?       ?       15.687  7.8394  0.000000       7.839445 
1 1 1 -29 18  12 o 15.010  7.4673  127.849    106.772  248.508    228.460  94.129     120.773  ?       ?       14.205  7.1805  0.000000       7.180479 
1 1 1 -29 18  13 o ?       ?       -79.4728   94.749   -275.5053  214.939  -32.1919   105.559  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  14 o 13.611  6.8580  50.981     104.849  -45.1493   230.426  76.081     117.744  ?       ?       13.926  7.0440  0.000000       7.044049 
1 1 1 -29 18  15 o 13.450  6.6637  42.605     81.682   -23.0103   123.706  93.326     108.763  ?       ?       14.250  7.1547  0.000000       7.154704 
1 1 1 -29 18  16 o 12.771  6.3877  12.698     82.769   64.785     123.449  -29.8379   111.559  13.707  6.9621  ?       ?       0.000000       6.962118 
1 1 1 -29 18  17 o 13.773  6.7780  56.186     79.685   48.678     123.533  61.537     104.280  ?       ?       13.728  6.9069  0.000000       6.906876 
1 1 1 -29 18  18 o 10.917  5.5423  -81.7193   77.547   -106.7076  118.494  -62.9996   102.559  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  19 o 14.152  6.9616  72.540     83.735   267.382    127.587  -74.8800   110.980  16.622  8.2513  ?       ?       0.000000       8.251268 
1 1 1 -29 18  20 o 17.930  8.3637  197.363    89.369   272.667    135.659  139.625    118.788  16.292  8.1530  14.788  7.4316  1.504375       11.03175 
1 1 1 -29 18  21 o 12.064  5.9885  -4.5122    67.180   -62.7456   131.007  16.264     78.252   ?       ?       12.805  6.3739  0.000000       6.373929 
1 1 1 -29 18  22 o 12.902  6.3922  20.920     75.168   -32.3153   134.175  45.270     90.745   ?       ?       13.531  6.7559  0.000000       6.755907 
1 1 1 -29 18  23 o 10.079  5.1065  -88.8502   63.622   -124.4845  133.073  -78.2913   72.437   ?       ?       10.760  5.4512  0.000000       5.451177 
1 1 1 -29 18  24 o ?       ?       80.130     144.840  80.130     144.840  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  25 o ?       ?       -19.8599   139.178  -19.8599   139.178  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  26 o ?       ?       -77.6938   149.327  -77.6938   149.327  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  27 o 12.703  6.3761  23.305     86.062   24.739     130.094  22.188     114.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 18  28 o 12.340  6.1662  18.057     76.296   -51.5241   120.846  64.174     98.382   ?       ?       13.228  6.6624  0.000000       6.662363 
1 1 1 -29 18  29 o 13.610  6.8621  111.150    105.970  -22.2064   255.972  138.734    116.415  ?       ?       13.799  6.9822  0.000000       6.982175 
1 1 1 -29 18  30 o 12.897  6.5253  81.054     101.518  546.132    261.700  -1.3271    110.143  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  1  o 14.614  7.3119  115.287    108.865  160.059    122.190  -57.0649   239.740  15.042  7.5563  ?       ?       0.000000       7.556300 
1 1 1 -29 19  2  o 14.013  7.0426  78.077     106.785  32.777     117.404  295.055    256.947  13.338  6.7761  ?       ?       0.000000       6.776106 
1 1 1 -29 19  3  o ?       ?       -91.1764   108.229  -67.5029   119.895  -195.3738  251.535  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  4  o 10.783  5.4579  -73.9002   71.523   84.362     116.794  -168.8624  90.471   14.024  7.0868  ?       ?       0.000000       7.086762 
1 1 1 -29 19  5  o 13.272  6.5228  36.359     73.002   17.635     110.365  50.925     97.340   13.120  6.6554  13.600  6.8204  -0.4808044     9.529488 
1 1 1 -29 19  6  o 14.141  6.9308  69.271     80.648   63.959     121.580  73.444     107.771  13.715  6.9603  13.923  7.0073  -0.2080727     9.876606 
1 1 1 -29 19  7  o 11.387  5.7338  -42.8617   72.634   34.955     111.065  -101.0139  96.012   13.335  6.7556  ?       ?       0.000000       6.755569 
1 1 1 -29 19  8  o 10.396  5.2750  -89.8026   69.608   -196.5255  107.429  -12.5754   91.386   ?       ?       12.434  6.2817  0.000000       6.281714 
1 1 1 -29 19  9  o 13.875  6.8216  61.009     80.060   29.773     116.149  89.283     110.506  13.249  6.7314  14.099  7.0958  -0.8502474     9.780694 
1 1 1 -29 19  10 o 14.652  7.3330  122.845    109.917  310.637    225.000  63.980     125.972  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  11 o 12.400  6.2825  -17.6866   96.300   -171.3125  216.609  20.158     107.509  ?       ?       13.055  6.6169  0.000000       6.616889 
1 1 1 -29 19  12 o 13.245  6.6865  35.905     102.476  359.206    226.542  -47.2669   114.903  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  13 o 12.521  6.2494  8.7375     77.384   47.390     111.898  -26.6919   107.131  13.400  6.7874  ?       ?       0.000000       6.787430 
1 1 1 -29 19  14 o 25.869  10.277  378.334    96.404   657.375    137.850  111.225    134.870  26.206  11.449  ?       ?       0.000000       11.44920 
1 1 1 -29 19  15 o 13.894  6.8416  66.294     81.586   162.701    125.246  -4.7659    107.528  14.808  7.4654  12.671  6.4417  2.136847       9.860394 
1 1 1 -29 19  16 f ?       ?       -117.8381  75.386   -170.4619  115.212  -78.4382   99.690   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  17 o 13.867  6.8771  68.839     87.828   -13.1110   124.255  150.663    124.159  ?       ?       14.652  7.3925  0.000000       7.392511 
1 1 1 -29 19  18 o 13.351  6.6166  44.350     80.746   72.590     124.810  24.021     105.893  13.654  6.9411  13.043  6.6064  0.6103592      9.582461 
1 1 1 -29 19  19 o 12.852  6.3632  24.825     74.019   112.196    126.160  -21.0383   91.405   14.137  7.1656  12.225  6.1860  1.912148       9.466372 
1 1 1 -29 19  20 o 14.734  7.1720  94.842     82.133   245.733    139.738  15.200     101.521  15.590  7.8628  12.930  6.5400  2.660195       10.22720 
1 1 1 -29 19  21 o 19.874  8.8381  230.083    85.617   110.129    144.282  295.277    106.369  ?       ?       19.236  9.0218  0.000000       9.021766 
1 1 1 -29 19  22 o 15.133  7.2018  95.688     72.509   11.079     133.733  130.915    86.293   ?       ?       15.633  7.5467  0.000000       7.546669 
1 1 1 -29 19  23 o ?       ?       -13.4009   129.743  19.999     144.451  -152.8149  295.121  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  24 o ?       ?       -78.2312   133.965  -78.2312   133.965  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  25 o ?       ?       -15.4592   139.689  -15.4592   139.689  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  26 o 15.745  7.5570  148.018    83.549   186.891    146.686  129.350    101.649  ?       ?       14.372  7.1715  0.000000       7.171457 
1 1 1 -29 19  27 o 11.292  5.6907  -22.9369   72.360   -126.3805  122.971  31.851     89.493   ?       ?       12.535  6.3183  0.000000       6.318323 
1 1 1 -29 19  28 o 12.311  6.2524  30.452     99.506   -117.1581  246.936  59.067     108.724  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 19  29 o 13.534  6.8164  137.700    102.993  90.793     261.337  146.325    112.063  ?       ?       13.419  6.7967  0.000000       6.796689 
1 1 1 -29 20  1  o ?       ?       -120.7434  93.553   -145.8495  101.314  24.560     243.734  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  2  o ?       ?       -100.2372  95.769   -141.5011  103.827  135.079    247.943  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  3  f 10.436  5.2672  -64.2326   63.369   -72.3424   87.200   -55.1567   92.248   ?       ?       11.717  5.9577  0.000000       5.957671 
1 1 1 -29 20  4  o 12.745  6.2983  23.463     71.281   -40.0367   109.005  70.903     94.218   ?       ?       13.808  6.8926  0.000000       6.892569 
1 1 1 -29 20  5  o 14.776  7.1111  91.412     75.159   91.333     113.190  91.474     100.518  13.941  7.0366  14.117  7.0574  -0.1762619     9.965989 
1 1 1 -29 20  6  o 12.276  6.1329  2.0100     75.299   50.710     118.768  -30.7222   97.370   13.359  6.7893  12.149  6.1717  1.209936       9.175182 
1 1 1 -29 20  7  o 11.818  5.9337  -18.7577   74.834   35.600     108.148  -68.6938   103.657  13.153  6.6632  ?       ?       0.000000       6.663248 
1 1 1 -29 20  8  o 12.560  6.3514  1.3214     95.323   176.778    210.029  -44.1955   106.975  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  9  o 13.440  6.7576  55.505     98.916   -190.4381  218.772  118.704    110.899  ?       ?       14.354  7.2093  0.000000       7.209332 
1 1 1 -29 20  10 o 12.858  6.4998  20.232     99.001   -226.2554  219.360  83.280     110.943  ?       ?       13.782  6.9578  0.000000       6.957830 
1 1 1 -29 20  11 o 13.753  6.9349  80.728     108.408  205.624    214.278  37.763     125.679  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  12 o 16.473  7.7923  153.576    82.436   377.571    117.963  -60.2300   115.249  19.785  9.3474  ?       ?       0.000000       9.347406 
1 1 1 -29 20  13 o 12.681  6.3231  21.161     78.399   -7.2907    113.362  47.244     108.541  ?       ?       13.240  6.7042  0.000000       6.704201 
1 1 1 -29 20  14 o 10.825  5.4895  -70.7224   74.637   -109.9611  107.538  -34.2534   103.674  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  15 o 10.741  5.4579  -81.0949   76.474   -184.3555  107.982  22.817     108.322  ?       ?       12.906  6.5519  0.000000       6.551874 
1 1 1 -29 20  16 o 11.551  5.8331  -35.9519   78.290   -121.4766  120.526  26.476     102.973  ?       ?       12.944  6.5517  0.000000       6.551698 
1 1 1 -29 20  17 o 11.740  5.9133  -24.5572   77.566   -24.3575   122.191  -24.6921   100.386  ?       ?       12.225  6.2157  0.000000       6.215737 
1 1 1 -29 20  18 o 13.556  6.6770  55.507     77.860   -4.8093    132.413  87.383     96.259   ?       ?       14.047  7.0043  0.000000       7.004286 
1 1 1 -29 20  19 o 15.923  7.5157  124.159    75.920   160.992    136.516  107.667    91.350   14.446  7.3357  14.635  7.2127  -0.1885872     10.28766 
1 1 1 -29 20  20 o 12.687  6.2881  22.317     73.017   -17.3125   131.961  39.805     87.659   ?       ?       13.159  6.5805  0.000000       6.580458 
1 1 1 -29 20  21 o 13.827  7.0202  99.582     124.707  95.547     136.802  119.425    303.352  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  22 o ?       ?       87.461     135.015  -1.0641    150.350  456.212    306.858  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  23 o ?       ?       -317.4955  131.130  -317.4955  131.130  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  24 o 14.986  7.6091  275.428    146.490  275.428    146.490  0.0000     0.0000   14.986  7.6091  ?       ?       0.000000       7.609062 
1 1 1 -29 20  25 o 14.024  6.8395  89.045     75.719   44.081     131.885  111.154    92.480   ?       ?       14.038  6.9780  0.000000       6.978014 
1 1 1 -29 20  26 o 10.876  5.5089  -41.3436   73.641   -0.6491    140.188  -56.8526   86.544   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 20  27 o 13.646  6.8306  124.498    95.513   -319.6483  373.307  155.610    98.802   ?       ?       14.122  7.0506  0.000000       7.050588 
1 1 1 -29 21  1  o 13.429  6.4909  50.343     64.315   157.165    104.375  -15.0418   81.660   15.109  7.4938  11.957  6.0280  3.152207       9.617378 
1 1 1 -29 21  2  o 16.851  7.5581  123.267    64.048   41.922     93.679   194.664    87.764   13.093  6.5823  17.381  8.1656  -4.288028      10.48827 
1 1 1 -29 21  3  o 16.531  7.7157  143.878    76.232   123.822    113.621  160.299    102.807  14.225  7.1640  15.237  7.5359  -1.011838      10.39775 
1 1 1 -29 21  4  o 12.951  6.4203  36.157     76.234   16.283     113.091  52.709     103.209  ?       ?       13.249  6.6911  0.000000       6.691128 
1 1 1 -29 21  5  o 12.919  6.3981  35.212     75.025   89.828     114.760  -5.5546    99.148   13.701  6.9326  12.380  6.2833  1.320157       9.356353 
1 1 1 -29 21  6  o 13.693  6.7571  67.411     81.033   98.602     117.452  39.078     111.941  13.779  6.9767  13.037  6.6223  0.7421169      9.619246 
1 1 1 -29 21  7  o 14.394  7.1970  123.767    104.729  -116.4084  248.357  175.712    115.501  ?       ?       14.981  7.5005  0.000000       7.500547 
1 1 1 -29 21  8  o 13.255  6.6821  54.725     100.287  224.607    219.016  9.6556     112.808  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  9  o ?       ?       -64.4022   94.062   -133.6252  212.563  -47.5465   104.891  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  10 o 11.916  5.9785  -7.4377    75.256   -43.8494   110.300  24.275     102.937  ?       ?       12.787  6.4802  0.000000       6.480243 
1 1 1 -29 21  11 o 13.872  6.8173  74.887     79.688   118.215    115.412  35.411     110.162  14.034  7.0864  12.950  6.5773  1.084284       9.668442 
1 1 1 -29 21  12 o 14.419  7.0223  93.363     79.049   97.578     113.055  89.331     110.570  13.770  6.9597  13.681  6.9114  0.8968830E-01  9.808359 
1 1 1 -29 21  13 o 11.264  5.6972  -44.6414   76.919   -132.9329  111.382  35.855     106.351  ?       ?       12.947  6.5643  0.000000       6.564289 
1 1 1 -29 21  14 o 17.727  8.3133  214.197    90.280   288.074    123.214  128.560    132.659  16.607  8.2198  ?       ?       0.000000       8.219836 
1 1 1 -29 21  15 o 11.165  5.6495  -49.5629   76.187   -25.6711   111.681  -70.3594   104.196  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  16 o 12.083  6.0707  -4.0135    79.025   -50.8317   113.262  40.397     110.312  ?       ?       13.045  6.6213  0.000000       6.621305 
1 1 1 -29 21  17 o ?       ?       43.229     128.311  347.696    322.304  -14.1137   139.872  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  18 o 12.410  6.1858  14.316     74.784   -147.9467  129.611  95.294     91.562   ?       ?       14.162  7.0231  0.000000       7.023067 
1 1 1 -29 21  19 o 12.927  6.4009  36.694     74.961   71.172     132.021  20.290     91.064   ?       ?       12.666  6.3832  0.000000       6.383152 
1 1 1 -29 21  20 o ?       ?       -40.2062   129.826  -3.2113    145.187  -187.8065  290.001  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  21 o ?       ?       -577.0339  229.113  0.0000     0.0000   -577.0339  229.113  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  22 o ?       ?       -104.8387  142.046  -104.8387  142.046  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  23 o ?       ?       157.859    131.606  157.859    131.606  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 21  24 o 13.760  6.7310  87.533     74.947   -54.1060   134.615  151.159    90.224   ?       ?       14.796  7.2678  0.000000       7.267839 
1 1 1 -29 21  25 o 12.240  6.1251  36.739     76.581   70.861     125.824  16.662     96.517   ?       ?       11.968  6.0859  0.000000       6.085947 
1 1 1 -29 21  26 o 12.967  6.5261  98.402     93.476   221.779    349.766  88.912     97.004   ?       ?       12.748  6.4432  0.000000       6.443239 
1 1 1 -29 22  1  o 14.386  6.7785  75.718     61.285   65.317     98.148   82.365     78.460   13.321  6.7022  14.004  6.8581  -0.6831512     9.589158 
1 1 1 -29 22  2  o 10.442  5.2424  -43.0110   58.350   -12.6944   105.786  -56.2685   69.955   ?       ?       10.738  5.4311  0.000000       5.431070 
1 1 1 -29 22  3  o 15.652  7.3302  116.293    69.787   96.447     112.894  128.568    88.782   13.636  6.8975  14.883  7.2896  -1.246112      10.03564 
1 1 1 -29 22  4  o 14.350  6.9923  94.979     78.637   106.120    118.747  86.277     104.946  13.685  6.9380  13.577  6.8437  0.1072493      9.745352 
1 1 1 -29 22  5  o ?       ?       -54.4675   101.859  0.0000     0.0000   -54.4675   101.859  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  6  o 12.894  6.5196  40.761     100.179  -255.7697  257.554  93.621     108.742  ?       ?       13.628  6.8810  0.000000       6.880959 
1 1 1 -29 22  7  o 12.818  6.4970  35.620     103.721  207.551    264.373  4.3415     112.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  8  o 14.437  7.2015  133.279    102.170  222.462    253.073  115.913    111.675  ?       ?       13.906  7.0155  0.000000       7.015524 
1 1 1 -29 22  9  o 10.651  5.4110  -73.0853   74.922   -71.0301   114.474  -74.6253   99.093   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  10 o 11.946  6.0104  -4.2302    78.929   39.595     117.307  -40.4830   106.692  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  11 o 16.139  7.7116  162.548    84.908   263.375    124.499  74.868     116.098  15.813  7.8979  13.293  6.7516  2.520470       10.39046 
1 1 1 -29 22  12 o 11.236  5.6899  -43.9056   78.289   23.629     117.673  -97.5391   104.866  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  13 o 12.289  6.1696  11.452     80.793   -81.5941   112.149  111.842    116.491  ?       ?       13.780  6.9741  0.000000       6.974066 
1 1 1 -29 22  14 o 12.688  6.3313  30.608     79.205   16.883     113.245  43.752     110.821  ?       ?       12.952  6.5804  0.000000       6.580390 
1 1 1 -29 22  15 o 21.431  9.1722  272.719    84.918   197.961    131.358  326.391    111.303  14.630  7.4046  18.562  8.8582  -3.931558      11.54536 
1 1 1 -29 22  16 o 15.442  7.4035  129.452    79.717   64.167     125.783  173.278    103.057  ?       ?       15.283  7.5561  0.000000       7.556121 
1 1 1 -29 22  17 o 14.008  6.8541  82.936     77.898   207.954    123.726  0.8322     100.266  14.972  7.5318  12.334  6.2656  2.637887       9.797246 
1 1 1 -29 22  18 o 13.620  6.7044  70.754     78.098   212.557    133.652  -2.7692    96.237   14.649  7.4200  12.210  6.1961  2.439330       9.666804 
1 1 1 -29 22  19 o ?       ?       98.451     126.669  103.748    139.536  73.641     302.004  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  20 o ?       ?       122.934    307.230  0.0000     0.0000   122.934    307.230  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  21 o 14.502  7.3589  238.594    135.577  191.012    149.730  455.194    319.463  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  22 o ?       ?       -109.1783  129.802  -109.1783  129.802  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  23 f ?       ?       85.701     127.675  85.701     127.675  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  24 o 10.672  5.4118  -34.3932   72.590   -2.8707    131.574  -48.1862   87.034   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 22  25 o 11.933  6.0077  44.190     79.593   -357.7163  313.349  71.909     82.292   ?       ?       12.432  6.2395  0.000000       6.239496 
1 1 1 -29 23  1  o 12.700  6.1607  36.984     59.241   -84.2248   87.587   139.187    80.428   ?       ?       15.513  7.4373  0.000000       7.437304 
1 1 1 -29 23  2  o 13.362  6.4746  57.268     64.966   141.296    110.353  12.699     80.369   14.181  7.1313  12.202  6.1295  1.979436       9.403544 
1 1 1 -29 23  3  o 13.556  6.6823  72.660     78.496   45.271     206.029  77.310     84.900   ?       ?       13.548  6.7260  0.000000       6.726048 
1 1 1 -29 23  4  o ?       ?       -25.2481   95.091   43.527     244.072  -37.5557   103.250  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  5  o ?       ?       -53.2501   97.433   264.246    252.762  -108.6596  105.593  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  6  o ?       ?       -56.6895   96.641   37.679     256.185  -72.3464   104.350  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  7  o 13.948  6.8259  86.198     77.335   129.361    111.869  46.692     107.027  13.934  7.0286  12.828  6.5124  1.105626       9.581940 
1 1 1 -29 23  8  o 13.277  6.5429  60.555     75.089   14.580     108.981  102.108    103.608  ?       ?       13.669  6.8784  0.000000       6.878380 
1 1 1 -29 23  9  o 13.322  6.5753  63.329     76.856   73.434     110.611  53.896     106.868  13.159  6.6742  12.919  6.5533  0.2399635      9.353657 
1 1 1 -29 23  10 o 12.251  6.1460  16.382     79.407   -22.6281   119.690  47.052     106.127  ?       ?       12.838  6.5138  0.000000       6.513807 
1 1 1 -29 23  11 o 12.659  6.3105  35.716     77.884   -87.5236   121.301  122.159    101.591  ?       ?       14.079  7.0468  0.000000       7.046760 
1 1 1 -29 23  12 o 14.486  7.0860  111.264    83.053   47.996     118.761  171.821    116.189  ?       ?       14.506  7.2973  0.000000       7.297298 
1 1 1 -29 23  13 o 16.710  7.9215  186.503    86.097   174.357    122.866  198.221    120.682  14.353  7.2540  14.768  7.4301  -0.4150352     10.38401 
1 1 1 -29 23  14 o 15.715  7.5126  145.771    80.793   139.045    122.072  151.015    107.777  13.892  7.0422  14.432  7.2286  -0.5398951     10.09183 
1 1 1 -29 23  15 o 12.755  6.3158  40.081     73.000   -22.2696   118.862  77.841     92.500   ?       ?       13.422  6.7189  0.000000       6.718905 
1 1 1 -29 23  16 o 10.966  5.5189  -31.4198   66.827   -104.7556  116.915  4.1669     81.443   ?       ?       12.012  6.0516  0.000000       6.051621 
1 1 1 -29 23  17 o ?       ?       -0.7205    103.704  -13.5566   109.803  105.297    315.563  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  18 o ?       ?       -116.0869  116.687  -142.1964  125.812  44.560     312.075  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  19 o ?       ?       500.148    341.769  0.0000     0.0000   500.148    341.769  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  20 o 15.428  7.4461  164.806    83.881   92.413     137.063  208.155    106.062  ?       ?       14.954  7.4397  0.000000       7.439732 
1 1 1 -29 23  21 o ?       ?       -104.9046  116.137  -104.9046  116.137  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  22 o ?       ?       -117.3377  127.489  -117.3377  127.489  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 23  23 o ?       ?       -26.3158   82.881   52.878     327.720  -31.7272   85.666   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  1  f 14.245  6.9425  101.255    77.648   -27.0901   204.309  122.922    83.946   ?       ?       14.583  7.1315  0.000000       7.131470 
1 1 1 -29 24  2  o 15.019  7.3086  140.806    85.127   244.827    214.068  121.267    92.778   ?       ?       14.160  7.0304  0.000000       7.030380 
1 1 1 -29 24  3  o 13.180  6.5262  63.472     77.955   -37.0379   208.830  79.746     84.029   ?       ?       13.463  6.6853  0.000000       6.685271 
1 1 1 -29 24  4  o ?       ?       -37.2737   88.762   -262.2791  227.150  3.2752     96.428   ?       ?       12.086  6.1402  0.000000       6.140249 
1 1 1 -29 24  5  o 12.928  6.4017  52.238     75.051   7.6088     110.671  90.237     102.121  ?       ?       13.349  6.7311  0.000000       6.731139 
1 1 1 -29 24  6  o ?       ?       -180.6315  67.043   -148.0876  99.749   -207.4459  90.544   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  7  o 10.899  5.5156  -43.1330   72.799   -162.1383  107.991  55.996     98.561   ?       ?       12.850  6.4949  0.000000       6.494918 
1 1 1 -29 24  8  f 10.595  5.3778  -61.7591   72.791   -155.1031  106.631  19.698     99.610   ?       ?       12.338  6.2655  0.000000       6.265549 
1 1 1 -29 24  9  o 11.336  5.7276  -24.2561   76.094   -5.6378    114.539  -38.9664   101.810  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  10 o 16.963  7.9947  198.208    85.337   126.657    120.715  269.689    120.655  13.589  6.9004  15.712  7.8359  -2.122820      10.44107 
1 1 1 -29 24  11 o 16.278  7.7779  183.021    86.377   172.534    123.221  193.154    121.118  14.109  7.1439  14.452  7.2928  -0.3434324     10.20881 
1 1 1 -29 24  12 o 11.149  5.6427  -34.8756   76.356   -15.9892   109.817  -52.5513   106.240  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  13 o 12.329  6.1688  27.634     77.510   29.570     111.080  25.798     108.208  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  14 o 11.899  5.9926  6.4212     79.493   -20.3975   112.812  32.870     112.032  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  15 o 11.966  6.0164  13.013     78.418   110.824    117.062  -66.6115   105.620  13.291  6.7537  ?       ?       0.000000       6.753650 
1 1 1 -29 24  16 o ?       ?       -49.4850   119.996  -52.7680   128.310  -26.5856   338.871  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  17 o ?       ?       3.0136     112.907  11.043     120.603  -53.9442   321.217  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  18 o ?       ?       355.897    349.713  0.0000     0.0000   355.897    349.713  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  19 o 13.073  6.4543  78.178     74.240   92.976     117.950  68.470     95.538   ?       ?       12.524  6.3359  0.000000       6.335860 
1 1 1 -29 24  20 o ?       ?       101.846    135.884  101.846    135.884  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  21 o ?       ?       61.339     134.159  61.339     134.159  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 24  22 o ?       ?       103.049    291.363  103.049    291.363  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  1  o 12.526  6.2212  39.676     72.870   -142.9008  200.661  67.411     78.209   ?       ?       13.161  6.5204  0.000000       6.520357 
1 1 1 -29 25  2  o 10.706  5.4055  -38.6887   67.116   -170.1470  198.147  -21.6516   71.333   ?       ?       11.168  5.6310  0.000000       5.631004 
1 1 1 -29 25  3  o 14.781  7.0387  108.665    69.486   214.499    112.121  42.670     88.538   14.977  7.4824  12.549  6.3205  2.427614       9.794634 
1 1 1 -29 25  4  o 10.385  5.1957  -28.8245   54.951   -191.4595  106.120  30.762     64.234   ?       ?       12.266  6.0461  0.000000       6.046112 
1 1 1 -29 25  5  o ?       ?       -94.2206   117.535  58.166     278.646  -127.2014  129.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  6  f 31.448  10.970  545.252    102.868  524.422    150.152  563.675    141.215  17.318  8.6529  19.123  9.3293  -1.805180      12.72436 
1 1 1 -29 25  7  o 36.598  12.824  964.714    140.675  1335.92    191.156  526.190    207.768  26.320  12.262  ?       ?       0.000000       12.26202 
1 1 1 -29 25  8  o 11.337  5.7330  -19.8478   77.579   52.054     113.897  -82.0775   105.960  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  9  o ?       ?       -79.0728   75.926   -115.5340  106.090  -40.7898   108.709  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  10 f 13.483  6.6515  83.267     78.310   -42.3105   114.519  193.563    107.326  ?       ?       14.742  7.3583  0.000000       7.358261 
1 1 1 -29 25  11 o 11.780  5.8980  11.473     71.400   98.465     106.576  -59.3657   96.173   13.180  6.6704  ?       ?       0.000000       6.670429 
1 1 1 -29 25  12 o 10.655  5.4184  -56.7956   76.445   21.887     110.366  -129.3575  105.986  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  13 o ?       ?       -99.4434   73.723   -99.4240   106.916  -99.4611   101.794  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  14 o ?       ?       52.999     109.895  19.687     115.817  353.966    348.124  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  15 o ?       ?       -29.8762   122.752  -59.0778   131.367  171.113    344.641  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  16 o ?       ?       46.015     124.237  71.378     134.587  -100.1169  323.055  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  17 o 10.270  5.2197  -51.6666   70.302   -256.5447  125.683  41.627     84.811   ?       ?       12.024  6.0717  0.000000       6.071699 
1 1 1 -29 25  18 o 11.382  5.7270  15.636     71.716   -1.5001    111.083  27.884     93.910   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  19 o ?       ?       100.382    117.896  94.024     125.883  145.766    336.332  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 25  20 o ?       ?       39.314     126.552  39.314     126.552  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  1  o 10.374  5.2093  -31.2642   57.761   14.842     114.572  -46.9760   66.883   ?       ?       10.445  5.2859  0.000000       5.285878 
1 1 1 -29 26  2  o 14.229  6.8277  97.825     68.106   -29.3916   121.756  155.756    82.162   ?       ?       15.245  7.3605  0.000000       7.360458 
1 1 1 -29 26  3  o 12.784  6.2595  53.238     65.276   48.861     108.472  55.722     81.732   ?       ?       12.657  6.3328  0.000000       6.332841 
1 1 1 -29 26  4  o 11.833  5.8695  20.703     64.094   15.135     106.523  23.863     80.244   ?       ?       12.024  6.0509  0.000000       6.050933 
1 1 1 -29 26  5  o 11.971  6.0051  23.011     75.759   -44.6330   110.832  82.335     103.792  ?       ?       12.859  6.5159  0.000000       6.515885 
1 1 1 -29 26  6  o 10.674  5.4044  -39.5261   70.394   -49.3422   107.875  -32.2463   92.900   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  7  o 12.168  6.1119  33.337     79.826   118.140    119.823  -34.3360   107.039  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  8  o 12.781  6.3715  63.677     79.430   54.547     115.151  71.964     109.708  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  9  o 11.873  5.9579  21.905     74.842   72.095     107.832  -24.7439   103.958  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  10 o 10.843  5.4913  -30.0939   72.968   -53.5579   103.591  -6.9881    102.797  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  11 o 11.310  5.6930  -0.3401    71.233   -9.9589    104.786  7.9240     97.127   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  12 o 11.051  5.5828  -12.6023   72.122   -11.9907   108.865  -13.0807   96.281   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  13 o ?       ?       59.150     127.654  32.764     137.122  230.661    349.597  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  14 o ?       ?       -39.5760   119.899  -56.5373   129.323  64.242     319.950  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  15 o ?       ?       -15.1262   122.285  -19.2548   132.231  9.2613     321.379  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  16 o ?       ?       -72.7985   75.926   -137.2851  108.574  -11.0837   106.215  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  17 o 11.185  5.6702  15.922     79.235   39.238     116.263  -4.2993    108.274  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 26  18 o 10.856  5.5044  6.7604     74.819   75.529     113.868  -45.4862   99.251   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  1  o 11.905  5.8820  29.820     62.077   -112.3919  114.141  89.554     73.975   ?       ?       13.408  6.5850  0.000000       6.585018 
1 1 1 -29 27  2  o 12.254  6.0946  43.804     70.979   239.511    121.872  -56.6544   87.316   14.283  7.2195  ?       ?       0.000000       7.219459 
1 1 1 -29 27  3  o 10.562  5.3262  -27.1905   63.979   -42.0892   118.792  -21.1031   75.933   ?       ?       11.002  5.5750  0.000000       5.574969 
1 1 1 -29 27  4  o 13.163  6.4011  72.539     64.994   186.410    110.277  11.934     80.452   13.941  7.0255  11.608  5.8669  2.333275       9.153025 
1 1 1 -29 27  5  o 14.363  6.9541  124.030    74.574   203.970    114.772  65.621     98.106   13.998  7.0681  12.413  6.2945  1.585512       9.464629 
1 1 1 -29 27  6  o 11.380  5.7447  4.0779     75.594   -39.2920   111.297  41.220     102.996  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  7  o 11.672  5.8679  21.548     74.468   48.837     106.217  -4.8314    104.434  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  8  o 11.449  5.7539  13.406     71.250   -56.3348   108.022  67.110     94.794   ?       ?       12.362  6.2603  0.000000       6.260275 
1 1 1 -29 27  9  o 13.766  6.7835  122.858    80.689   -10.4932   117.415  242.189    111.071  ?       ?       14.557  7.2979  0.000000       7.297916 
1 1 1 -29 27  10 o 10.562  5.3676  -35.8332   74.196   66.352     106.672  -131.6051  103.270  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  11 o ?       ?       210.792    123.966  289.966    137.749  -126.5317  284.329  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  12 o ?       ?       237.355    126.285  240.210    138.635  223.437    306.070  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  13 o ?       ?       -17.1987   119.446  -67.7944   128.892  290.502    317.859  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  14 o 10.737  5.4469  -7.0317    73.983   -19.3170   110.618  2.9111     99.515   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  15 f 12.041  6.0605  76.200     80.666   41.920     115.019  109.382    113.161  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  16 f 12.043  6.0578  84.954     79.979   51.431     117.936  113.497    108.826  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 27  17 o 12.091  6.0969  104.637    83.780   53.038     121.710  151.105    115.499  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  1  o 9.5971  4.8677  -58.5494   58.888   -147.8346  112.629  -24.9589   69.082   ?       ?       10.581  5.3569  0.000000       5.356875 
1 1 1 -29 28  2  o 13.896  6.7891  122.279    75.563   51.231     152.278  145.488    87.034   ?       ?       13.845  6.8628  0.000000       6.862772 
1 1 1 -29 28  3  o 13.328  6.5211  95.008     70.475   28.000     117.541  132.618    88.059   ?       ?       13.485  6.7203  0.000000       6.720302 
1 1 1 -29 28  4  o 11.434  5.6762  23.453     60.408   -35.9087   112.403  47.561     71.631   ?       ?       12.019  6.0009  0.000000       6.000879 
1 1 1 -29 28  5  o 12.729  6.2736  74.747     69.098   85.469     117.952  69.145     85.258   ?       ?       12.272  6.1837  0.000000       6.183706 
1 1 1 -29 28  6  o 12.041  6.0359  53.265     75.829   54.374     108.948  52.223     105.608  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  7  o 10.963  5.5521  -2.3981    74.672   76.386     106.892  -77.4898   104.357  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  8  o 11.515  5.7942  31.226     73.513   70.718     109.108  -1.6048    99.484   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  9  o ?       ?       3.7387     112.726  -8.2352    122.588  69.304     286.858  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  10 o ?       ?       39.500     113.836  17.599     125.372  142.348    271.687  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  11 o ?       ?       -7.8182    110.641  -45.6759   121.570  174.796    267.002  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  12 o 11.796  5.9482  66.810     79.769   49.133     126.779  78.395     102.631  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  13 o 13.154  6.5249  138.603    79.238   224.672    113.969  58.070     110.243  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  14 o 11.013  5.5812  34.800     76.273   -24.1505   114.120  82.395     102.541  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 28  15 o ?       ?       37.039     80.736   14.091     114.499  59.731     113.858  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  1  o 9.7583  4.9465  -42.7405   60.192   -90.5059   111.838  -23.2625   71.418   ?       ?       10.432  5.2982  0.000000       5.298215 
1 1 1 -29 29  2  o 12.451  6.1600  75.658     68.893   158.230    118.281  33.263     84.753   ?       ?       11.422  5.7983  0.000000       5.798339 
1 1 1 -29 29  3  o 11.719  5.8648  47.815     70.268   22.690     123.734  59.776     85.370   ?       ?       11.801  5.9721  0.000000       5.972071 
1 1 1 -29 29  4  o 12.797  6.2982  90.458     68.832   150.543    119.705  60.777     84.132   ?       ?       11.795  5.9648  0.000000       5.964774 
1 1 1 -29 29  5  o 10.933  5.5006  14.187     66.124   -91.3330   115.062  66.221     80.799   ?       ?       11.886  5.9927  0.000000       5.992691 
1 1 1 -29 29  6  o 14.025  6.9250  180.429    85.551   80.689     135.911  245.881    110.099  ?       ?       13.685  6.9116  0.000000       6.911582 
1 1 1 -29 29  7  o ?       ?       49.637     117.291  46.890     127.948  64.096     293.549  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  8  f ?       ?       -51.7180   108.627  10.801     118.898  -367.3758  267.164  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  9  o ?       ?       188.354    124.820  158.081    136.453  343.532    308.937  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  10 o ?       ?       94.034     119.780  5.9714     130.242  577.080    305.034  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  11 o 11.291  5.7013  56.223     74.718   -42.3013   110.463  139.320    101.447  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 29  12 o 10.730  5.4529  30.320     76.535   -13.3852   108.830  73.086     107.653  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  1  o 10.903  5.4879  24.215     66.208   68.678     120.634  5.0484     79.203   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  2  o 9.4754  4.8043  -37.9990   57.009   -75.5014   106.536  -22.9518   67.483   ?       ?       10.052  5.1096  0.000000       5.109619 
1 1 1 -29 30  3  o 10.330  5.2304  -3.3366    66.037   50.956     116.679  -28.9242   80.101   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  4  o 10.234  5.1890  -7.3950    66.483   36.741     114.977  -29.5642   81.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  5  o ?       ?       100.239    131.741  182.536    141.205  -452.6442  365.996  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  6  o ?       ?       35.704     121.578  93.016     130.982  -320.9880  326.763  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  7  o ?       ?       34.136     114.197  90.457     123.817  -286.6447  295.494  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  8  o ?       ?       30.079     114.249  80.553     123.837  -258.5324  296.122  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  9  o ?       ?       -19.8622   70.984   6.0237     106.802  -40.3443   95.003   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 30  10 o 10.976  5.5623  62.582     75.808   138.825    111.866  -2.1637    103.087  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 31  1  f ?       ?       -27.8448   63.886   -27.7391   118.914  -27.8877   75.745   ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 31  2  o 11.728  5.8419  82.331     66.223   25.879     116.529  109.259    80.483   ?       ?       11.789  5.9486  0.000000       5.948554 
1 1 1 -29 31  3  o ?       ?       45.339     128.691  67.205     137.687  -105.7862  361.970  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 31  4  o ?       ?       133.956    135.364  149.322    145.326  33.255     372.023  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 31  5  o ?       ?       -29.2113   124.730  -11.1963   134.175  -143.8251  338.434  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 31  6  o ?       ?       -44.6223   124.660  -19.8937   132.621  -232.2559  365.315  ?       ?       ?       ?       0.000000       ?        
1 1 1 -29 32  1  o ?       ?       -14.3888   127.850  -84.7029   136.578  483.561    363.457  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 24 o 11.003  5.5772  48.308     76.491   0.0000     0.0000   48.308     76.491   ?       ?       11.003  5.5772  0.000000       5.577237 
1 1 1 -28 -34 25 o ?       ?       19.736     80.776   0.0000     0.0000   19.736     80.776   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 26 o ?       ?       -15.7790   77.608   0.0000     0.0000   -15.7790   77.608   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 27 o 11.018  5.5892  38.252     77.854   0.0000     0.0000   38.252     77.854   ?       ?       11.018  5.5892  0.000000       5.589171 
1 1 1 -28 -34 28 o 12.723  6.3216  121.065    75.562   218.691    176.419  99.133     83.621   ?       ?       11.972  6.0437  0.000000       6.043683 
1 1 1 -28 -34 29 o 11.371  5.7258  52.654     72.465   33.115     181.394  56.364     79.047   ?       ?       11.367  5.7521  0.000000       5.752123 
1 1 1 -28 -34 30 o ?       ?       -53.5518   80.767   -91.6739   166.442  -41.8102   92.372   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 31 o ?       ?       23.304     85.732   -59.5774   207.413  40.382     94.151   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 32 o 11.643  5.9219  84.157     91.700   104.023    197.773  78.716     103.498  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 33 o 10.481  5.2881  7.0918     63.544   -10.2445   157.992  10.437     69.405   ?       ?       10.606  5.3693  0.000000       5.369289 
1 1 1 -28 -34 34 o 11.184  5.6024  40.934     64.830   98.405     142.870  26.032     72.751   ?       ?       10.872  5.5031  0.000000       5.503128 
1 1 1 -28 -34 35 o 11.280  5.6490  46.999     65.704   14.782     140.883  55.954     74.276   ?       ?       11.362  5.7307  0.000000       5.730666 
1 1 1 -28 -34 36 o ?       ?       181.725    107.269  62.752     153.395  295.584    150.061  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 37 o ?       ?       -105.7718  111.741  131.210    264.378  -157.3135  123.296  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -34 38 o ?       ?       161.807    126.254  37.457     276.305  194.622    141.939  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 20 f 10.270  5.1949  -1.2022    64.079   0.0000     0.0000   -1.2022    64.079   ?       ?       10.270  5.1949  0.000000       5.194890 
1 1 1 -28 -33 21 o 10.721  5.4305  14.264     71.670   0.0000     0.0000   14.264     71.670   ?       ?       10.721  5.4305  0.000000       5.430463 
1 1 1 -28 -33 22 o ?       ?       -100.8652  144.033  0.0000     0.0000   -100.8652  144.033  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 23 o ?       ?       -266.6505  142.599  0.0000     0.0000   -266.6505  142.599  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 24 o 12.117  6.0783  78.318     77.590   0.0000     0.0000   78.318     77.590   ?       ?       12.117  6.0783  0.000000       6.078325 
1 1 1 -28 -33 25 o 10.805  5.4876  0.2395     76.585   0.0000     0.0000   0.2395     76.585   ?       ?       10.805  5.4876  0.000000       5.487629 
1 1 1 -28 -33 26 o 12.981  6.5300  142.294    92.987   0.0000     0.0000   142.294    92.987   ?       ?       12.981  6.5300  0.000000       6.530043 
1 1 1 -28 -33 27 o 11.110  5.6072  16.700     71.786   -9.2709    173.085  22.095     78.891   ?       ?       11.241  5.6946  0.000000       5.694633 
1 1 1 -28 -33 28 o 10.717  5.4456  -11.2652   76.113   155.079    181.572  -46.7260   83.834   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 29 o 13.323  6.6085  127.813    81.215   198.599    184.771  110.862    90.418   ?       ?       12.635  6.3667  0.000000       6.366728 
1 1 1 -28 -33 30 o ?       ?       -45.1705   69.719   163.196    175.198  -84.3754   75.995   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 31 o 12.439  6.2960  104.482    95.077   -35.5907   194.654  148.370    108.959  ?       ?       12.718  6.4673  0.000000       6.467278 
1 1 1 -28 -33 32 o ?       ?       52.391     93.404   268.829    184.846  -21.8241   108.240  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 33 o ?       ?       -40.5830   70.068   -17.7633   160.714  -45.9384   77.857   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 34 o 11.485  5.7028  34.261     61.098   40.914     147.854  32.891     67.095   ?       ?       11.440  5.7262  0.000000       5.726219 
1 1 1 -28 -33 35 o 9.3913  4.7635  -52.6962   56.423   28.067     133.459  -70.2738   62.261   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 36 o 10.921  5.4723  14.236     62.075   73.635     141.690  0.1268     69.055   ?       ?       10.724  5.4218  0.000000       5.421819 
1 1 1 -28 -33 37 o ?       ?       -216.1955  113.685  -493.6413  235.795  -132.1703  129.763  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 38 o ?       ?       65.941     134.129  3.3418     287.613  83.339     151.627  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 39 o 11.250  5.6513  36.358     68.316   219.593    149.074  -12.3536   76.862   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -33 40 o 10.080  5.0960  -14.0055   61.047   -45.5233   137.839  -6.3149    68.089   ?       ?       10.362  5.2533  0.000000       5.253259 
1 1 1 -28 -32 18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -32 19 o ?       ?       1593.79    226.755  0.0000     0.0000   1593.79    226.755  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 20 o 9.5519  4.8512  -54.7088   59.880   0.0000     0.0000   -54.7088   59.880   ?       ?       9.5519  4.8512  0.000000       4.851237 
1 1 1 -28 -32 21 o 11.895  5.9275  47.540     68.450   0.0000     0.0000   47.540     68.450   ?       ?       11.895  5.9275  0.000000       5.927459 
1 1 1 -28 -32 22 o ?       ?       39.436     142.959  0.0000     0.0000   39.436     142.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -32 24 o 10.771  5.4762  -25.9976   77.864   0.0000     0.0000   -25.9976   77.864   ?       ?       10.771  5.4762  0.000000       5.476197 
1 1 1 -28 -32 25 o 12.164  6.0281  47.917     66.993   -38.8086   134.086  76.768     77.338   ?       ?       12.700  6.3239  0.000000       6.323925 
1 1 1 -28 -32 26 o 24.023  10.209  494.614    103.869  776.368    215.139  408.977    118.608  ?       ?       17.163  8.4106  0.000000       8.410589 
1 1 1 -28 -32 27 o 11.656  5.8918  21.696     81.288   33.795     378.608  21.111     83.228   ?       ?       11.656  5.8986  0.000000       5.898640 
1 1 1 -28 -32 28 o 12.880  6.4277  85.097     81.712   41.458     187.068  95.387     90.836   ?       ?       12.874  6.4733  0.000000       6.473337 
1 1 1 -28 -32 29 o 12.257  6.1233  50.961     75.069   96.990     167.404  39.375     83.987   ?       ?       11.988  6.0524  0.000000       6.052440 
1 1 1 -28 -32 30 o ?       ?       -45.2864   75.358   145.672    172.979  -90.0176   83.720   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 31 o 11.456  5.8133  5.4521     84.641   -75.8481   186.725  26.477     94.956   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 32 o 11.706  5.9446  20.616     89.774   152.428    194.452  -15.0896   101.206  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 33 o 11.888  5.9676  34.400     75.499   -61.6162   159.834  61.976     85.658   ?       ?       12.355  6.2219  0.000000       6.221921 
1 1 1 -28 -32 34 o 11.323  5.6639  12.267     65.145   54.741     152.565  2.7961     72.044   ?       ?       11.222  5.6582  0.000000       5.658157 
1 1 1 -28 -32 35 o 12.505  6.1763  60.251     68.237   -11.7959   157.333  76.943     75.731   ?       ?       12.770  6.3421  0.000000       6.342066 
1 1 1 -28 -32 36 o 15.471  7.3701  169.111    76.329   278.534    170.098  141.521    85.412   ?       ?       13.895  6.8717  0.000000       6.871696 
1 1 1 -28 -32 37 f ?       ?       44.008     139.479  -57.8884   385.660  59.341     149.605  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 38 o ?       ?       -45.2913   135.260  58.649     351.241  -63.3891   146.564  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -32 39 o 13.363  6.5547  105.628    72.562   45.679     163.523  120.327    80.971   ?       ?       13.337  6.6126  0.000000       6.612621 
1 1 1 -28 -32 40 f 10.939  5.5040  7.0727     66.241   -76.6580   152.998  26.389     73.486   ?       ?       11.379  5.7345  0.000000       5.734459 
1 1 1 -28 -32 41 o 10.944  5.5205  9.9694     69.011   -20.3626   157.428  17.185     76.782   ?       ?       11.137  5.6391  0.000000       5.639060 
1 1 1 -28 -32 42 o 11.184  5.6387  27.253     71.507   16.310     158.780  30.037     80.088   ?       ?       11.242  5.6993  0.000000       5.699267 
1 1 1 -28 -31 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -31 16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -31 17 o ?       ?       -375.4660  16.865   0.0000     0.0000   -375.4660  16.865   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 18 o 11.611  5.8558  25.081     77.499   0.0000     0.0000   25.081     77.499   ?       ?       11.611  5.8558  0.000000       5.855814 
1 1 1 -28 -31 19 o 11.783  5.8790  30.271     68.262   0.0000     0.0000   30.271     68.262   ?       ?       11.783  5.8790  0.000000       5.878994 
1 1 1 -28 -31 20 o 12.881  6.3167  67.576     67.259   0.0000     0.0000   67.576     67.259   ?       ?       12.881  6.3167  0.000000       6.316675 
1 1 1 -28 -31 21 o 13.079  6.4305  75.246     71.148   0.0000     0.0000   75.246     71.148   ?       ?       13.079  6.4305  0.000000       6.430538 
1 1 1 -28 -31 22 o ?       ?       -10.3599   113.660  0.0000     0.0000   -10.3599   113.660  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 23 o ?       ?       103.502    142.296  0.0000     0.0000   103.502    142.296  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 24 o 14.370  6.9316  111.955    72.437   175.496    142.640  89.874     84.086   ?       ?       13.272  6.6063  0.000000       6.606263 
1 1 1 -28 -31 25 o 11.452  5.7609  0.1251     72.345   167.392    171.337  -36.1667   79.809   ?       ?       10.993  5.5849  0.000000       5.584873 
1 1 1 -28 -31 26 o 12.357  6.1534  40.596     73.261   366.559    176.113  -27.6147   80.563   ?       ?       11.156  5.6623  0.000000       5.662265 
1 1 1 -28 -31 27 o 12.944  6.3809  62.236     71.629   114.894    174.669  51.590     78.536   ?       ?       12.596  6.2883  0.000000       6.288346 
1 1 1 -28 -31 28 o 11.752  5.9061  10.906     75.095   -145.7568  167.793  50.143     83.974   ?       ?       12.544  6.2968  0.000000       6.296842 
1 1 1 -28 -31 29 o 14.238  6.9763  120.242    81.532   64.018     173.206  136.247    92.411   ?       ?       14.130  7.0157  0.000000       7.015704 
1 1 1 -28 -31 30 o 12.826  6.3809  60.462     78.004   186.225    171.442  27.630     87.596   ?       ?       12.151  6.1401  0.000000       6.140144 
1 1 1 -28 -31 31 o 12.042  6.0801  21.812     84.908   56.481     165.492  9.4257     98.920   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 32 o 11.800  5.9710  7.4000     85.115   112.879    163.216  -31.9992   99.753   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 33 o 13.345  6.6865  99.379     92.552   202.438    175.383  59.601     108.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 34 o 10.242  5.1907  -55.5756   66.096   -35.6494   149.748  -60.3969   73.660   ?       ?       10.460  5.3192  0.000000       5.319207 
1 1 1 -28 -31 35 o 10.460  5.2460  -25.8843   57.625   -4.5582    151.245  -29.5059   62.326   ?       ?       10.570  5.3211  0.000000       5.321148 
1 1 1 -28 -31 36 o 12.521  6.1031  45.441     60.062   -105.2516  156.079  71.635     65.073   ?       ?       13.314  6.4583  0.000000       6.458305 
1 1 1 -28 -31 37 o ?       ?       -67.2081   91.796   -452.0555  397.288  -45.5031   94.350   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 38 o 12.841  6.5274  100.824    110.226  289.629    414.060  86.424     114.352  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 39 o 10.535  5.3184  -29.3101   64.819   377.591    412.879  -39.5922   65.632   ?       ?       10.371  5.2472  0.000000       5.247157 
1 1 1 -28 -31 40 o 12.211  6.0179  44.382     63.537   11.382     156.517  50.894     69.524   ?       ?       12.329  6.1152  0.000000       6.115154 
1 1 1 -28 -31 41 o 10.182  5.1445  -35.0575   61.357   -113.0623  161.931  -21.9806   66.301   ?       ?       10.600  5.3546  0.000000       5.354580 
1 1 1 -28 -31 42 o 10.254  5.1820  -29.9192   62.560   179.318    168.459  -63.3919   67.378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -31 43 o 11.523  5.7331  31.094     63.001   -126.6578  161.395  59.452     68.430   ?       ?       12.206  6.0563  0.000000       6.056265 
1 1 1 -28 -31 44 o 11.473  5.7113  34.576     62.905   -19.8151   144.938  47.200     69.824   ?       ?       11.733  5.8680  0.000000       5.868048 
1 1 1 -28 -30 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -30 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -30 15 f 7.7819  3.5829  -1.2515    15.612   0.0000     0.0000   -1.2515    15.612   ?       ?       7.7819  3.5829  0.000000       3.582854 
1 1 1 -28 -30 16 o 11.737  5.1123  27.433     27.297   0.0000     0.0000   27.433     27.297   ?       ?       11.737  5.1123  0.000000       5.112281 
1 1 1 -28 -30 17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -30 18 o 12.576  6.2952  51.759     81.152   0.0000     0.0000   51.759     81.152   ?       ?       12.576  6.2952  0.000000       6.295208 
1 1 1 -28 -30 19 o 12.076  5.9946  26.360     67.328   0.0000     0.0000   26.360     67.328   ?       ?       12.076  5.9946  0.000000       5.994590 
1 1 1 -28 -30 20 o ?       ?       -121.2516  58.496   0.0000     0.0000   -121.2516  58.496   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 21 o 11.860  5.9136  13.399     68.612   0.0000     0.0000   13.399     68.612   ?       ?       11.860  5.9136  0.000000       5.913640 
1 1 1 -28 -30 22 o ?       ?       61.882     118.327  0.0000     0.0000   61.882     118.327  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 23 o ?       ?       57.780     110.862  -4.8264    336.603  65.398     117.413  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 24 o 15.195  7.2347  122.594    73.350   99.193     178.243  127.364    80.480   ?       ?       14.872  7.2064  0.000000       7.206419 
1 1 1 -28 -30 25 o 12.216  6.0813  22.884     71.319   149.516    172.967  -3.0552    78.283   ?       ?       11.763  5.9271  0.000000       5.927090 
1 1 1 -28 -30 26 o 11.053  5.5749  -30.7479   70.259   -77.2461   177.790  -22.1426   76.485   ?       ?       11.391  5.7536  0.000000       5.753608 
1 1 1 -28 -30 27 o 12.010  5.9970  13.214     71.611   56.410     158.121  2.0683     80.320   ?       ?       11.907  6.0001  0.000000       6.000069 
1 1 1 -28 -30 28 o 13.080  6.4478  55.673     73.114   -1.6289    165.912  69.482     81.449   ?       ?       13.313  6.6058  0.000000       6.605752 
1 1 1 -28 -30 29 o 12.793  6.3652  45.508     77.710   -76.5854   166.614  79.452     87.851   ?       ?       13.432  6.6968  0.000000       6.696821 
1 1 1 -28 -30 30 o 11.068  5.5941  -35.7508   73.116   111.761    141.928  -89.0434   85.308   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 31 o 13.387  6.6733  76.659     87.074   -21.8995   155.018  122.088    105.246  ?       ?       13.863  6.9705  0.000000       6.970500 
1 1 1 -28 -30 32 o ?       ?       -63.2763   81.105   66.127     155.406  -111.7152  95.081   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 33 o 12.855  6.4444  50.856     86.508   130.243    162.216  19.305     102.264  ?       ?       12.371  6.2886  0.000000       6.288617 
1 1 1 -28 -30 34 o 13.045  6.3302  50.864     62.671   65.690     166.645  48.422     67.637   ?       ?       12.908  6.3305  0.000000       6.330546 
1 1 1 -28 -30 35 o 11.032  5.4757  -9.1459    56.115   0.7031     145.580  -10.8646   60.815   ?       ?       11.155  5.5631  0.000000       5.563076 
1 1 1 -28 -30 36 o 12.839  6.2419  45.973     61.721   253.822    156.960  7.9549     67.129   ?       ?       11.764  5.8632  0.000000       5.863232 
1 1 1 -28 -30 37 o 14.210  7.1555  167.121    113.213  309.154    405.754  155.130    117.896  ?       ?       13.904  7.0344  0.000000       7.034408 
1 1 1 -28 -30 38 o ?       ?       -44.1109   97.067   -279.5249  425.164  -31.1656   99.700   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -30 39 o 13.499  6.8360  127.283    113.049  267.850    413.942  115.954    117.517  ?       ?       13.277  6.7485  0.000000       6.748510 
1 1 1 -28 -30 40 o 12.333  6.0724  36.783     64.209   51.923     166.645  34.144     69.581   ?       ?       12.260  6.0871  0.000000       6.087053 
1 1 1 -28 -30 41 o 11.010  5.5102  -9.2876    62.041   18.730     156.522  -14.5098   67.576   ?       ?       11.050  5.5597  0.000000       5.559736 
1 1 1 -28 -30 42 o 10.429  5.2554  -31.8695   61.695   82.812     162.320  -51.2345   66.701   ?       ?       10.263  5.2028  0.000000       5.202845 
1 1 1 -28 -30 43 f 16.873  7.7126  174.383    70.583   92.247     170.827  191.291    77.508   ?       ?       16.565  7.7473  0.000000       7.747314 
1 1 1 -28 -30 44 o 15.303  7.2528  150.735    72.074   303.737    153.729  107.629    81.598   ?       ?       13.311  6.6061  0.000000       6.606139 
1 1 1 -28 -30 45 o 10.573  5.3294  -13.7484   63.680   -97.2265   157.700  2.5156     69.608   ?       ?       11.014  5.5545  0.000000       5.554461 
1 1 1 -28 -29 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -29 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -29 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -29 14 o 13.110  5.2187  36.705     24.903   0.0000     0.0000   36.705     24.903   ?       ?       13.110  5.2187  0.000000       5.218663 
1 1 1 -28 -29 15 o 12.723  5.2590  33.984     26.418   0.0000     0.0000   33.984     26.418   ?       ?       12.723  5.2590  0.000000       5.259048 
1 1 1 -28 -29 16 o 8.3983  4.1734  -37.7208   32.984   0.0000     0.0000   -37.7208   32.984   ?       ?       8.3983  4.1734  0.000000       4.173438 
1 1 1 -28 -29 17 o 13.821  6.8282  92.300     83.618   0.0000     0.0000   92.300     83.618   ?       ?       13.821  6.8282  0.000000       6.828242 
1 1 1 -28 -29 18 o 11.224  5.6651  -29.5276   73.296   0.0000     0.0000   -29.5276   73.296   ?       ?       11.224  5.6651  0.000000       5.665111 
1 1 1 -28 -29 19 o 10.367  5.2183  -46.7216   59.849   0.0000     0.0000   -46.7216   59.849   ?       ?       10.367  5.2183  0.000000       5.218273 
1 1 1 -28 -29 20 o 11.636  5.8188  -5.9168    68.549   0.0000     0.0000   -5.9168    68.549   ?       ?       11.636  5.8188  0.000000       5.818823 
1 1 1 -28 -29 21 o 11.903  5.8347  13.228     57.197   -145.4937  128.046  52.792     63.929   ?       ?       13.295  6.4374  0.000000       6.437407 
1 1 1 -28 -29 22 o 14.484  7.3018  169.760    119.776  254.851    361.666  159.278    126.940  ?       ?       14.162  7.1795  0.000000       7.179460 
1 1 1 -28 -29 23 f ?       ?       -68.2928   102.372  -311.5576  343.765  -44.6201   107.237  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -29 24 o 10.103  5.1116  -69.4149   62.303   -61.3217   161.712  -70.8256   67.515   ?       ?       10.354  5.2475  0.000000       5.247487 
1 1 1 -28 -29 25 o 11.776  5.8520  1.3137     64.872   46.912     149.576  -9.2507    71.996   ?       ?       11.707  5.8702  0.000000       5.870215 
1 1 1 -28 -29 26 o 19.383  8.5078  208.009    76.905   582.875    167.758  108.267    86.534   17.639  8.8604  14.426  7.0923  3.213941       11.34934 
1 1 1 -28 -29 27 o 14.124  6.9211  89.214     80.272   176.529    170.307  64.276     91.016   ?       ?       13.343  6.6772  0.000000       6.677230 
1 1 1 -28 -29 28 f 11.246  5.6843  -39.2275   75.627   -0.7120    154.905  -51.2809   86.656   ?       ?       11.384  5.7872  0.000000       5.787163 
1 1 1 -28 -29 29 o 13.998  6.8759  84.877     80.766   67.831     152.098  91.571     95.315   ?       ?       13.824  6.9054  0.000000       6.905403 
1 1 1 -28 -29 30 o 13.805  6.7527  73.210     75.412   150.643    148.531  46.317     87.534   ?       ?       13.021  6.5207  0.000000       6.520749 
1 1 1 -28 -29 31 o 12.807  6.3300  36.294     72.152   105.931    145.782  13.702     83.036   ?       ?       12.375  6.2183  0.000000       6.218307 
1 1 1 -28 -29 32 o ?       ?       -113.4530  77.015   129.572    152.900  -196.0720  89.150   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -29 33 o 13.757  6.7472  72.734     76.823   21.881     175.020  84.870     85.500   ?       ?       13.882  6.8669  0.000000       6.866917 
1 1 1 -28 -29 34 o 9.4829  4.7952  -74.9814   54.252   -9.8987    153.631  -84.2536   57.988   ?       ?       9.5661  4.8498  0.000000       4.849772 
1 1 1 -28 -29 35 o 12.623  6.1600  31.669     61.704   123.988    154.789  14.227     67.281   ?       ?       12.165  6.0308  0.000000       6.030787 
1 1 1 -28 -29 36 o 11.951  5.8810  11.920     59.944   -96.7021   143.457  34.898     65.980   ?       ?       12.728  6.2445  0.000000       6.244466 
1 1 1 -28 -29 37 o ?       ?       -120.2692  79.757   -138.5733  145.159  -112.3538  95.456   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -29 38 o 14.322  7.2251  160.070    118.430  0.0000     0.0000   160.070    118.430  ?       ?       14.322  7.2251  0.000000       7.225131 
1 1 1 -28 -29 39 o ?       ?       -112.2203  98.844   239.834    399.772  -135.1438  102.011  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -29 40 o 14.760  7.0030  98.057     67.545   76.116     170.069  102.166    73.599   ?       ?       14.568  7.0171  0.000000       7.017128 
1 1 1 -28 -29 41 o 16.406  7.5618  141.390    69.807   35.693     173.939  161.683    76.215   ?       ?       16.574  7.7285  0.000000       7.728512 
1 1 1 -28 -29 42 o 12.291  6.0597  30.430     64.635   279.901    172.627  -10.2453   69.705   ?       ?       11.373  5.7126  0.000000       5.712569 
1 1 1 -28 -29 43 o 11.351  5.6684  -1.1660    64.005   57.100     171.802  -10.5562   68.970   ?       ?       11.264  5.6607  0.000000       5.660740 
1 1 1 -28 -29 44 o 12.359  6.0775  40.495     63.660   -18.9486   159.490  51.761     69.431   ?       ?       12.635  6.2387  0.000000       6.238679 
1 1 1 -28 -29 45 o 11.528  5.7400  15.549     63.687   -69.4611   154.892  32.845     69.866   ?       ?       11.994  5.9785  0.000000       5.978473 
1 1 1 -28 -29 46 o 9.9734  5.0448  -44.7406   60.413   -13.8485   152.653  -50.4773   65.783   ?       ?       10.092  5.1216  0.000000       5.121582 
1 1 1 -28 -28 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -28 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -28 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -28 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -28 13 o ?       ?       -59.2393   6.8734   0.0000     0.0000   -59.2393   6.8734   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 14 o 10.839  4.8163  15.507     25.372   0.0000     0.0000   15.507     25.372   ?       ?       10.839  4.8163  0.000000       4.816279 
1 1 1 -28 -28 15 o ?       ?       -105.0851  7.5269   0.0000     0.0000   -105.0851  7.5269   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 16 o ?       ?       -451.3869  12.535   0.0000     0.0000   -451.3869  12.535   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 17 o 12.628  6.2827  25.061     75.682   0.0000     0.0000   25.061     75.682   ?       ?       12.628  6.2827  0.000000       6.282690 
1 1 1 -28 -28 18 o 11.492  5.7907  -29.1467   74.780   0.0000     0.0000   -29.1467   74.780   ?       ?       11.492  5.7907  0.000000       5.790736 
1 1 1 -28 -28 19 o 13.166  6.3805  43.177     63.139   0.0000     0.0000   43.177     63.139   ?       ?       13.166  6.3805  0.000000       6.380504 
1 1 1 -28 -28 20 o 9.2883  4.6855  -70.7591   49.751   -183.1882  104.885  -38.1183   56.514   ?       ?       10.541  5.2730  0.000000       5.272964 
1 1 1 -28 -28 21 o 23.831  9.1206  249.547    73.677   508.332    157.587  177.158    83.347   17.875  8.9209  17.210  8.0442  0.6646557      12.01215 
1 1 1 -28 -28 22 o 14.028  7.0886  113.105    116.891  4.4003     356.081  126.234    123.749  ?       ?       14.097  7.1403  0.000000       7.140340 
1 1 1 -28 -28 23 o ?       ?       -73.7762   105.751  -2.3030    342.552  -81.3056   111.182  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 24 o 14.862  7.0573  91.189     68.891   33.866     159.415  104.352    76.392   ?       ?       14.974  7.1971  0.000000       7.197145 
1 1 1 -28 -28 25 o 10.593  5.3404  -53.8699   64.074   -100.1712  149.553  -43.4599   70.912   ?       ?       11.104  5.6006  0.000000       5.600626 
1 1 1 -28 -28 26 o 13.734  6.6532  61.146     68.468   67.740     158.090  59.623     75.961   ?       ?       13.570  6.6661  0.000000       6.666096 
1 1 1 -28 -28 27 o 11.428  5.7079  -17.5530   65.030   9.2383     129.396  -26.6062   75.219   ?       ?       11.569  5.8269  0.000000       5.826859 
1 1 1 -28 -28 28 o 11.486  5.7529  -20.0282   68.268   106.474    133.118  -65.1714   79.522   ?       ?       11.062  5.6155  0.000000       5.615499 
1 1 1 -28 -28 29 o 10.982  5.5475  -50.6120   71.172   -169.2071  135.967  -5.8524    83.530   ?       ?       12.153  6.1232  0.000000       6.123181 
1 1 1 -28 -28 30 o 11.913  5.9323  -1.7345    68.065   -110.3398  138.078  33.127     78.230   ?       ?       12.893  6.4106  0.000000       6.410579 
1 1 1 -28 -28 31 o 13.493  6.5795  53.812     69.985   -329.9838  372.567  67.850     71.254   ?       ?       13.928  6.7566  0.000000       6.756571 
1 1 1 -28 -28 32 o 12.413  6.1729  14.281     72.659   109.382    169.211  -7.2185    80.453   ?       ?       12.092  6.0819  0.000000       6.081866 
1 1 1 -28 -28 33 o 13.322  6.5382  48.139     72.525   -329.6327  179.569  121.774    79.279   ?       ?       15.475  7.4100  0.000000       7.409960 
1 1 1 -28 -28 34 o 16.100  7.4380  116.181    68.124   152.780    168.199  108.999    74.509   ?       ?       15.308  7.2895  0.000000       7.289458 
1 1 1 -28 -28 35 o 12.977  6.3157  36.197     63.616   347.287    156.484  -25.3962   69.630   15.869  8.0368  11.453  5.7469  4.415699       9.880149 
1 1 1 -28 -28 36 o 9.2665  4.7044  -96.9444   55.891   18.023     145.901  -116.7169  60.507   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 37 o 13.083  6.3553  39.638     63.624   -163.0016  159.137  78.191     69.413   ?       ?       14.368  6.8939  0.000000       6.893912 
1 1 1 -28 -28 38 o 13.551  6.8257  70.450     103.392  -396.5196  393.595  105.061    107.155  ?       ?       14.072  7.0699  0.000000       7.069928 
1 1 1 -28 -28 39 o 13.411  6.7550  63.036     101.247  78.162     404.571  62.026     104.575  ?       ?       13.376  6.7532  0.000000       6.753210 
1 1 1 -28 -28 40 o 11.012  5.4924  -23.7875   59.358   -258.3761  157.867  14.838     64.058   ?       ?       12.216  6.0246  0.000000       6.024649 
1 1 1 -28 -28 41 o 11.951  5.8978  8.9464     61.781   189.460    156.228  -24.5161   67.264   ?       ?       11.274  5.6557  0.000000       5.655712 
1 1 1 -28 -28 42 o 9.8765  5.0030  -76.5696   60.861   68.557     154.607  -103.1819  66.206   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -28 43 o 10.707  5.3823  -36.7434   62.568   99.588     160.106  -61.3161   67.973   ?       ?       10.475  5.3040  0.000000       5.304034 
1 1 1 -28 -28 44 o 11.863  5.8867  12.200     64.732   250.022    163.014  -32.3205   70.531   ?       ?       11.024  5.5632  0.000000       5.563165 
1 1 1 -28 -28 45 o 11.241  5.6050  -4.6424    61.599   50.577     148.739  -16.0739   67.675   ?       ?       11.153  5.6052  0.000000       5.605234 
1 1 1 -28 -28 46 o 11.486  5.7252  8.1357     64.054   64.112     157.305  -2.9906    70.132   ?       ?       11.352  5.7054  0.000000       5.705388 
1 1 1 -28 -28 47 o 14.355  7.1408  177.009    97.562   150.824    197.938  185.412    112.129  ?       ?       13.851  6.9929  0.000000       6.992936 
1 1 1 -28 -27 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -27 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -27 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -27 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -27 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -27 12 o ?       ?       -535.0403  12.693   0.0000     0.0000   -535.0403  12.693   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -27 13 f 16.818  7.2081  99.674     52.578   0.0000     0.0000   99.674     52.578   ?       ?       16.818  7.2081  0.000000       7.208086 
1 1 1 -28 -27 14 o ?       ?       -189.7253  8.9148   0.0000     0.0000   -189.7253  8.9148   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -27 15 o 10.810  5.0340  7.5261     32.162   0.0000     0.0000   7.5261     32.162   ?       ?       10.810  5.0340  0.000000       5.034007 
1 1 1 -28 -27 16 o 40.645  8.3446  438.603    79.538   0.0000     0.0000   438.603    79.538   ?       ?       40.645  8.3446  0.000000       8.344553 
1 1 1 -28 -27 17 f 13.764  6.7808  60.997     80.441   0.0000     0.0000   60.997     80.441   ?       ?       13.764  6.7808  0.000000       6.780795 
1 1 1 -28 -27 18 o 16.477  7.9601  181.421    96.446   0.0000     0.0000   181.421    96.446   ?       ?       16.477  7.9601  0.000000       7.960137 
1 1 1 -28 -27 19 o 9.9979  5.0114  -52.1772   52.237   -264.6528  106.167  15.691     60.002   ?       ?       12.359  6.0406  0.000000       6.040621 
1 1 1 -28 -27 20 o ?       ?       -191.9646  31.882   -446.5256  115.509  -170.9727  33.170   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -27 21 o 12.965  6.3184  32.801     64.279   -31.5968   136.502  51.150     72.864   ?       ?       13.532  6.6230  0.000000       6.623013 
1 1 1 -28 -27 22 o 14.607  7.3098  128.422    109.032  252.321    260.169  102.025    120.087  ?       ?       14.003  7.0863  0.000000       7.086251 
1 1 1 -28 -27 23 o ?       ?       -39.1745   107.299  -37.6814   343.282  -39.3361   112.958  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -27 24 o 14.113  6.8653  71.614     74.931   -29.3736   342.616  76.687     76.790   ?       ?       14.227  6.9274  0.000000       6.927393 
1 1 1 -28 -27 25 o 15.224  7.1668  94.490     68.216   -53.4844   146.966  135.126    77.015   ?       ?       16.328  7.6640  0.000000       7.664004 
1 1 1 -28 -27 26 o 15.751  7.3993  112.376    72.031   4.9396     141.221  150.156    83.744   ?       ?       16.353  7.7698  0.000000       7.769825 
1 1 1 -28 -27 27 o 12.194  6.0495  4.9761     68.168   -84.7142   136.522  34.764     78.677   ?       ?       13.071  6.4869  0.000000       6.486863 
1 1 1 -28 -27 28 o 12.352  6.0744  14.043     63.621   172.825    136.119  -30.3389   71.965   14.631  7.4191  11.500  5.7801  3.131004       9.404867 
1 1 1 -28 -27 29 o 12.579  6.1991  19.398     67.452   125.468    148.712  -8.0761    75.685   ?       ?       12.072  6.0482  0.000000       6.048167 
1 1 1 -28 -27 30 o 12.766  6.2068  27.726     61.029   -105.0189  154.181  52.389     66.457   ?       ?       13.634  6.5921  0.000000       6.592147 
1 1 1 -28 -27 31 o 16.557  7.5224  117.336    65.866   132.550    158.778  114.174    72.388   ?       ?       15.827  7.4293  0.000000       7.429279 
1 1 1 -28 -27 32 o 14.218  7.0131  83.835     86.960   0.0000     0.0000   83.835     86.960   ?       ?       14.218  7.0131  0.000000       7.013098 
1 1 1 -28 -27 33 o ?       ?       -23.9528   103.878  0.0000     0.0000   -23.9528   103.878  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -27 34 o 13.323  6.4648  42.382     65.351   140.729    146.795  18.073     72.983   ?       ?       12.654  6.2744  0.000000       6.274354 
1 1 1 -28 -27 35 o 12.101  5.9286  8.2367     58.816   11.448     147.876  7.6333     64.105   ?       ?       12.221  6.0271  0.000000       6.027054 
1 1 1 -28 -27 36 o 11.076  5.5187  -27.8206   59.262   -74.7367   149.390  -19.0590   64.559   ?       ?       11.534  5.7489  0.000000       5.748851 
1 1 1 -28 -27 37 o 18.006  7.9389  143.687    67.647   88.554     166.724  154.552    74.013   ?       ?       17.731  8.0231  0.000000       8.023090 
1 1 1 -28 -27 38 o 13.739  6.9220  68.078     106.610  -100.8790  395.323  81.330     110.712  ?       ?       13.914  7.0151  0.000000       7.015080 
1 1 1 -28 -27 39 o 12.845  6.5067  9.6995     102.865  -219.7205  395.455  26.349     106.532  ?       ?       13.103  6.6354  0.000000       6.635369 
1 1 1 -28 -27 40 o 15.066  7.0554  85.146     64.643   48.209     156.290  92.769     71.001   ?       ?       15.065  7.1570  0.000000       7.156955 
1 1 1 -28 -27 41 o 15.698  7.3358  106.620    69.245   166.553    159.747  92.754     76.839   ?       ?       14.745  7.1187  0.000000       7.118748 
1 1 1 -28 -27 42 o 14.308  6.8492  73.626     67.639   -59.7433   159.594  102.828    74.678   ?       ?       15.110  7.2233  0.000000       7.223305 
1 1 1 -28 -27 43 o 12.891  6.3041  34.952     65.600   -4.1396    149.780  44.231     72.972   ?       ?       13.165  6.4803  0.000000       6.480289 
1 1 1 -28 -27 44 o 21.054  8.8040  225.631    75.269   287.547    166.329  209.686    84.406   ?       ?       18.225  8.3687  0.000000       8.368655 
1 1 1 -28 -27 45 o 11.943  5.9119  10.860     63.757   70.684     148.153  -2.7375    70.632   ?       ?       11.753  5.8816  0.000000       5.881571 
1 1 1 -28 -27 46 o 11.385  5.6859  -6.5697    64.505   177.148    150.827  -47.6943   71.360   ?       ?       10.778  5.4551  0.000000       5.455145 
1 1 1 -28 -27 47 o ?       ?       -62.0116   81.641   -56.4100   176.794  -63.5299   92.043   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -26 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -26 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -26 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -26 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -26 11 o ?       ?       -87.0988   17.158   0.0000     0.0000   -87.0988   17.158   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 12 o 28.028  11.576  609.921    127.835  0.0000     0.0000   609.921    127.835  ?       ?       28.028  11.576  0.000000       11.57580 
1 1 1 -28 -26 13 o 10.385  4.9052  -0.5744    32.451   0.0000     0.0000   -0.5744    32.451   ?       ?       10.385  4.9052  0.000000       4.905151 
1 1 1 -28 -26 14 o 26.248  9.4474  277.819    76.797   0.0000     0.0000   277.819    76.797   ?       ?       26.248  9.4474  0.000000       9.447420 
1 1 1 -28 -26 15 o ?       ?       -353.8596  12.434   0.0000     0.0000   -353.8596  12.434   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 16 f 15.320  6.9930  78.365     57.768   0.0000     0.0000   78.365     57.768   ?       ?       15.320  6.9930  0.000000       6.992964 
1 1 1 -28 -26 17 o 13.627  6.7252  49.363     80.340   0.0000     0.0000   49.363     80.340   ?       ?       13.627  6.7252  0.000000       6.725249 
1 1 1 -28 -26 18 o 12.389  6.1125  8.6488     66.215   3.9722     124.094  10.510     78.292   ?       ?       12.668  6.3167  0.000000       6.316688 
1 1 1 -28 -26 19 o 15.585  7.1276  87.244     60.385   81.986     138.685  88.474     67.077   ?       ?       15.237  7.1520  0.000000       7.152018 
1 1 1 -28 -26 20 o 9.5910  4.8284  -68.3893   51.360   50.925     125.951  -92.1859   56.249   ?       ?       9.4825  4.8041  0.000000       4.804099 
1 1 1 -28 -26 21 f 11.457  5.7096  -22.4442   63.576   -15.3691   129.774  -24.6785   72.926   ?       ?       11.757  5.8969  0.000000       5.896932 
1 1 1 -28 -26 22 o ?       ?       -17.7078   109.269  36.319     208.950  -38.0438   128.195  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 23 o 13.561  6.8280  51.128     102.873  -247.9440  242.256  116.922    113.626  ?       ?       14.522  7.2942  0.000000       7.294247 
1 1 1 -28 -26 24 o 14.601  7.0279  79.405     73.498   -157.2248  341.599  90.892     75.261   ?       ?       14.946  7.1732  0.000000       7.173213 
1 1 1 -28 -26 25 o 14.073  6.7444  59.907     66.006   -5.2331    132.661  81.339     76.093   ?       ?       14.589  7.0538  0.000000       7.053808 
1 1 1 -28 -26 26 o 12.122  5.9880  1.5485     64.206   -146.1364  130.565  48.653     73.738   ?       ?       13.604  6.6591  0.000000       6.659130 
1 1 1 -28 -26 27 o 10.602  5.3695  -78.5515   69.839   480.585    345.557  -102.3628  71.310   ?       ?       10.295  5.2351  0.000000       5.235066 
1 1 1 -28 -26 28 o 11.475  5.7153  -21.4673   63.305   -157.6009  143.040  11.691     70.595   ?       ?       12.553  6.2150  0.000000       6.215041 
1 1 1 -28 -26 29 o 12.281  6.0177  9.8446     60.685   -91.0385   148.746  29.989     66.468   ?       ?       13.027  6.3651  0.000000       6.365095 
1 1 1 -28 -26 30 o 11.972  5.9224  -3.4127    63.612   108.636    155.895  -25.7958   69.677   ?       ?       11.629  5.8230  0.000000       5.823024 
1 1 1 -28 -26 31 o 13.799  6.7615  55.523     76.585   99.594     157.566  41.890     87.633   ?       ?       13.423  6.6916  0.000000       6.691644 
1 1 1 -28 -26 32 o 12.245  6.1957  -26.0844   91.534   -145.0329  160.270  31.495     111.509  ?       ?       13.300  6.7411  0.000000       6.741075 
1 1 1 -28 -26 33 o 12.623  6.3576  -1.1642    89.611   -171.5695  157.251  80.786     109.051  ?       ?       14.038  7.0630  0.000000       7.062985 
1 1 1 -28 -26 34 o 11.783  5.8936  -20.9851   70.488   98.542     156.697  -51.3073   78.924   ?       ?       11.493  5.8092  0.000000       5.809155 
1 1 1 -28 -26 35 o 10.332  5.1994  -61.6717   59.231   43.491     143.347  -83.3232   65.043   ?       ?       10.268  5.1983  0.000000       5.198316 
1 1 1 -28 -26 36 o 9.4880  4.8072  -93.5934   56.382   -147.2755  146.871  -84.3148   61.060   ?       ?       10.003  5.0613  0.000000       5.061254 
1 1 1 -28 -26 37 o 11.292  5.6082  -23.2147   59.214   -3.4259    150.772  -26.8237   64.388   ?       ?       11.440  5.7082  0.000000       5.708249 
1 1 1 -28 -26 38 o 35.909  14.599  1445.60    199.347  545.597    476.134  1636.90    219.512  ?       ?       33.268  14.494  0.000000       14.49368 
1 1 1 -28 -26 39 o 14.173  7.0919  78.637     102.577  589.103    299.663  10.884     109.173  ?       ?       13.109  6.6467  0.000000       6.646720 
1 1 1 -28 -26 40 o ?       ?       -143.4148  55.936   -14.3028   139.211  -168.2733  61.084   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 41 o 13.422  6.4700  40.082     62.876   74.789     145.582  32.123     69.713   ?       ?       13.177  6.4552  0.000000       6.455176 
1 1 1 -28 -26 42 o 16.676  7.6802  125.960    71.810   239.373    162.049  98.247     80.104   ?       ?       15.038  7.2625  0.000000       7.262524 
1 1 1 -28 -26 43 o 11.042  5.5381  -40.0575   64.265   274.545    159.850  -100.7096  70.187   ?       ?       10.232  5.2020  0.000000       5.201993 
1 1 1 -28 -26 44 o 10.513  5.3037  -61.6130   63.832   34.450     154.559  -81.3673   70.088   ?       ?       10.489  5.3192  0.000000       5.319162 
1 1 1 -28 -26 45 o 11.005  5.5029  -29.9570   61.276   -148.9282  145.818  -4.4421    67.528   ?       ?       11.857  5.9049  0.000000       5.904860 
1 1 1 -28 -26 46 o 10.681  5.3728  -43.6328   62.924   -101.2705  150.281  -31.3798   69.290   ?       ?       11.203  5.6357  0.000000       5.635689 
1 1 1 -28 -26 47 o 11.269  5.7259  -46.9349   84.062   78.943     178.565  -82.7741   95.280   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -26 48 o 12.487  6.3004  38.104     90.196   -47.3095   188.361  63.515     102.741  ?       ?       12.837  6.5023  0.000000       6.502294 
1 1 1 -28 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -25 10 f 10.250  4.6632  6.2052     25.424   0.0000     0.0000   6.2052     25.424   ?       ?       10.250  4.6632  0.000000       4.663215 
1 1 1 -28 -25 11 o 11.472  5.1321  16.269     29.325   0.0000     0.0000   16.269     29.325   ?       ?       11.472  5.1321  0.000000       5.132078 
1 1 1 -28 -25 12 f 13.692  6.7346  44.584     78.317   0.0000     0.0000   44.584     78.317   ?       ?       13.692  6.7346  0.000000       6.734580 
1 1 1 -28 -25 13 o 44.744  7.2329  445.663    75.847   0.0000     0.0000   445.663    75.847   ?       ?       44.744  7.2329  0.000000       7.232946 
1 1 1 -28 -25 14 o 15.874  7.2927  92.389     64.202   0.0000     0.0000   92.389     64.202   ?       ?       15.874  7.2927  0.000000       7.292662 
1 1 1 -28 -25 15 o 30.597  9.9577  356.322    84.762   0.0000     0.0000   356.322    84.762   ?       ?       30.597  9.9577  0.000000       9.957651 
1 1 1 -28 -25 16 o 15.313  7.0001  76.203     58.160   0.0000     0.0000   76.203     58.160   ?       ?       15.313  7.0001  0.000000       7.000117 
1 1 1 -28 -25 17 o 13.674  6.5711  44.441     63.603   -78.4346   108.674  108.459    78.441   ?       ?       15.671  7.4669  0.000000       7.466945 
1 1 1 -28 -25 18 o 12.122  6.0342  -9.7901    70.204   -56.2770   163.730  0.6819     77.710   ?       ?       12.557  6.2667  0.000000       6.266703 
1 1 1 -28 -25 19 o 11.936  5.8312  1.1281     55.737   138.268    134.756  -27.1755   61.219   14.686  7.4397  11.330  5.6395  3.355193       9.335612 
1 1 1 -28 -25 20 o 11.078  5.5238  -34.2360   59.869   -133.0452  125.311  -5.0120    68.149   ?       ?       12.178  6.0429  0.000000       6.042855 
1 1 1 -28 -25 21 o 16.151  7.4850  107.227    69.786   231.732    135.276  62.075     81.463   15.954  8.0063  14.095  6.9200  1.859065       10.58239 
1 1 1 -28 -25 22 o 17.902  8.7953  330.344    132.363  346.573    243.156  323.509    157.790  ?       ?       16.323  8.2475  0.000000       8.247520 
1 1 1 -28 -25 23 o 15.514  7.7826  184.301    127.263  29.930     228.615  253.617    153.194  ?       ?       15.664  7.9350  0.000000       7.934984 
1 1 1 -28 -25 24 o 28.367  10.497  391.382    95.790   365.523    280.039  394.809    101.939  ?       ?       26.126  10.504  0.000000       10.50402 
1 1 1 -28 -25 25 o 12.889  6.2403  23.825     60.051   -210.5677  131.833  85.191     67.456   ?       ?       15.296  7.1774  0.000000       7.177350 
1 1 1 -28 -25 26 o 12.968  6.3028  24.775     62.786   -152.0271  145.008  65.570     69.654   ?       ?       14.420  6.9154  0.000000       6.915384 
1 1 1 -28 -25 27 o 14.198  6.8122  58.666     67.780   -19.3958   153.446  77.590     75.550   ?       ?       14.709  7.0911  0.000000       7.091081 
1 1 1 -28 -25 28 o 12.156  5.9415  4.4534     58.071   30.115     142.034  -0.6970    63.632   ?       ?       12.177  6.0052  0.000000       6.005196 
1 1 1 -28 -25 29 f 15.490  7.3651  99.009     75.507   69.030     155.641  108.237    86.349   ?       ?       15.334  7.4386  0.000000       7.438559 
1 1 1 -28 -25 30 o 12.487  6.1895  3.4159     70.753   94.559     134.766  -31.2658   83.132   14.205  7.2206  12.083  6.0904  2.122054       9.446180 
1 1 1 -28 -25 31 o 16.074  7.5942  117.426    77.874   191.809    155.213  92.403     90.025   ?       ?       14.772  7.2567  0.000000       7.256670 
1 1 1 -28 -25 32 o 15.325  7.5213  120.929    95.969   -10.8305   165.551  187.617    117.778  ?       ?       15.942  7.9159  0.000000       7.915895 
1 1 1 -28 -25 33 o 12.803  6.4469  -1.0138    91.851   -137.0931  167.004  58.001     109.979  ?       ?       13.864  6.9902  0.000000       6.990163 
1 1 1 -28 -25 34 o 12.602  6.2716  3.3766     75.599   154.100    158.728  -40.8449   85.977   ?       ?       12.007  6.0684  0.000000       6.068442 
1 1 1 -28 -25 35 o 10.746  5.4016  -56.5589   62.934   20.280     140.089  -75.9873   70.442   ?       ?       10.782  5.4532  0.000000       5.453244 
1 1 1 -28 -25 36 f 11.865  5.8693  -10.6992   62.482   -59.9781   116.148  9.3699     74.121   ?       ?       12.732  6.3149  0.000000       6.314876 
1 1 1 -28 -25 37 o 16.201  7.3256  94.661     61.578   219.500    114.488  43.846     73.043   16.851  8.2590  13.681  6.6823  3.169798       10.62372 
1 1 1 -28 -25 38 o 15.124  7.6141  152.571    127.773  5.5204     297.616  185.800    141.474  ?       ?       15.266  7.7216  0.000000       7.721604 
1 1 1 -28 -25 39 o ?       ?       -101.5827  124.829  232.665    285.402  -180.6507  138.811  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -25 40 f 12.000  5.9580  -13.4956   66.673   -121.2160  142.499  16.695     75.440   ?       ?       13.003  6.4355  0.000000       6.435494 
1 1 1 -28 -25 41 o 9.6517  4.8879  -95.1204   57.841   -325.7611  133.433  -41.7525   64.185   ?       ?       11.187  5.5997  0.000000       5.599691 
1 1 1 -28 -25 42 o 13.573  6.6120  39.637     70.196   84.405     157.134  28.475     78.461   ?       ?       13.300  6.5789  0.000000       6.578920 
1 1 1 -28 -25 43 o 22.958  9.5189  274.670    86.927   587.156    172.379  168.106    100.663  19.103  9.5006  16.340  7.9504  2.762945       12.38837 
1 1 1 -28 -25 44 o 12.012  5.9729  -9.7063    67.971   67.162     149.379  -29.7776   76.331   ?       ?       11.842  5.9517  0.000000       5.951698 
1 1 1 -28 -25 45 o 18.455  8.1789  161.994    72.710   182.785    159.150  156.510    81.739   ?       ?       17.052  7.9690  0.000000       7.968956 
1 1 1 -28 -25 46 o 11.701  5.8222  -11.0508   65.025   137.507    176.170  -34.4821   69.965   ?       ?       11.347  5.7025  0.000000       5.702525 
1 1 1 -28 -25 47 o 13.434  6.7233  61.489     92.380   -156.2411  200.575  120.112    104.076  ?       ?       14.349  7.1747  0.000000       7.174728 
1 1 1 -28 -25 48 o 11.852  6.0110  -19.1933   89.626   -67.9473   209.988  -8.3334    99.106   ?       ?       12.141  6.1735  0.000000       6.173506 
1 1 1 -28 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -24 10 o 19.563  6.6430  89.912     37.643   0.0000     0.0000   89.912     37.643   ?       ?       19.563  6.6430  0.000000       6.642954 
1 1 1 -28 -24 11 o 24.367  10.340  375.502    106.287  0.0000     0.0000   375.502    106.287  ?       ?       24.367  10.340  0.000000       10.34041 
1 1 1 -28 -24 12 o ?       ?       -170.1761  8.9015   0.0000     0.0000   -170.1761  8.9015   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -24 13 o 11.248  5.4779  -10.1740   48.093   0.0000     0.0000   -10.1740   48.093   ?       ?       11.248  5.4779  0.000000       5.477866 
1 1 1 -28 -24 14 o 15.390  7.1327  79.125     63.383   0.0000     0.0000   79.125     63.383   ?       ?       15.390  7.1327  0.000000       7.132739 
1 1 1 -28 -24 15 o 13.668  6.5488  40.491     62.139   0.0000     0.0000   40.491     62.139   ?       ?       13.668  6.5488  0.000000       6.548768 
1 1 1 -28 -24 16 o 11.453  5.5714  -6.4442    49.359   -86.0511   103.153  17.195     56.212   ?       ?       12.662  6.1074  0.000000       6.107376 
1 1 1 -28 -24 17 o 12.195  6.0370  -6.8386    66.524   -158.4482  162.106  23.864     72.950   ?       ?       13.191  6.4904  0.000000       6.490410 
1 1 1 -28 -24 18 o 13.377  6.5810  29.692     74.908   11.609     170.199  34.036     83.423   ?       ?       13.545  6.7150  0.000000       6.714962 
1 1 1 -28 -24 19 o 11.362  5.5929  -17.2473   54.374   24.260     123.860  -27.1557   60.516   13.590  6.9094  11.399  5.6626  2.190993       8.933352 
1 1 1 -28 -24 20 o 12.733  6.2150  14.045     62.886   -52.4901   128.196  35.129     72.166   ?       ?       13.536  6.6178  0.000000       6.617833 
1 1 1 -28 -24 21 f 13.266  6.3977  29.491     61.624   52.329     113.095  19.848     73.491   13.962  7.0458  13.119  6.4664  0.8436069      9.563361 
1 1 1 -28 -24 22 o 16.299  8.1196  213.932    128.095  47.545     234.652  284.564    152.884  ?       ?       16.390  8.2613  0.000000       8.261298 
1 1 1 -28 -24 23 o ?       ?       -197.7693  104.879  -370.7887  189.417  -121.2731  125.948  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -24 24 o 12.940  6.3633  14.941     69.798   -74.9628   212.144  25.855     73.913   ?       ?       13.313  6.5473  0.000000       6.547322 
1 1 1 -28 -24 25 o 19.448  8.3305  158.741    70.150   220.402    136.050  136.411    81.873   16.133  8.0868  16.875  7.9148  -0.7422314     11.31548 
1 1 1 -28 -24 26 o 10.961  5.4590  -38.7220   57.719   -119.5361  131.990  -19.6140   64.181   ?       ?       11.809  5.8605  0.000000       5.860495 
1 1 1 -28 -24 27 o 13.538  6.5887  34.432     69.241   11.571     144.117  41.292     78.951   ?       ?       13.781  6.7750  0.000000       6.775020 
1 1 1 -28 -24 28 o 19.029  8.3819  165.111    75.231   267.094    147.925  129.530    87.374   16.382  8.2405  16.259  7.7836  0.1233673      11.33532 
1 1 1 -28 -24 29 o 11.965  5.9565  -20.2951   68.453   38.575     135.404  -40.5068   79.339   ?       ?       11.938  6.0086  0.000000       6.008588 
1 1 1 -28 -24 30 o 15.321  7.2898  86.777     74.216   18.795     149.009  109.204    85.587   ?       ?       15.661  7.5494  0.000000       7.549445 
1 1 1 -28 -24 31 o 14.106  6.8455  52.310     73.324   91.596     146.216  39.111     84.751   ?       ?       13.723  6.7968  0.000000       6.796790 
1 1 1 -28 -24 32 o 17.470  8.3700  197.592    101.480  107.944    172.189  245.301    125.613  ?       ?       17.024  8.4030  0.000000       8.402985 
1 1 1 -28 -24 33 o 13.568  6.7946  30.406     94.979   219.174    169.382  -56.1696   114.710  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -24 34 o 19.437  8.7473  205.717    86.591   21.874     179.846  261.195    98.796   ?       ?       20.132  9.1720  0.000000       9.171964 
1 1 1 -28 -24 35 o 11.559  5.7481  -26.1918   62.989   -180.7295  113.787  42.088     75.635   ?       ?       13.763  6.7387  0.000000       6.738655 
1 1 1 -28 -24 36 o 14.047  6.7200  49.368     64.876   173.947    115.395  -8.2070    78.448   16.051  7.9467  12.542  6.2650  3.508780       10.11932 
1 1 1 -28 -24 37 o ?       ?       -122.3357  63.795   -270.2687  140.250  -83.7430   71.635   ?       ?       10.802  5.4672  0.000000       5.467199 
1 1 1 -28 -24 38 o 14.412  7.2843  85.229     123.920  16.183     290.669  100.566    136.993  ?       ?       14.502  7.3628  0.000000       7.362818 
1 1 1 -28 -24 39 o 13.966  7.1013  48.876     131.135  170.365    292.196  18.235     146.744  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -24 40 o 16.227  7.5914  107.271    74.500   161.985    154.356  90.654     85.064   ?       ?       15.175  7.3663  0.000000       7.366271 
1 1 1 -28 -24 41 f 16.429  7.6997  115.504    77.241   144.259    162.342  107.090    87.818   ?       ?       15.604  7.5526  0.000000       7.552622 
1 1 1 -28 -24 42 o 13.596  6.6463  34.283     72.737   83.053     153.051  20.054     82.669   ?       ?       13.316  6.6157  0.000000       6.615704 
1 1 1 -28 -24 43 o 13.777  6.7311  41.163     74.269   -125.6314  169.377  80.865     82.637   ?       ?       14.892  7.2362  0.000000       7.236229 
1 1 1 -28 -24 44 o 12.425  6.1779  -5.4481    72.663   -74.9230   180.970  7.9055     79.340   ?       ?       12.893  6.4179  0.000000       6.417861 
1 1 1 -28 -24 45 o 12.545  6.1798  7.8123     66.763   34.663     170.446  2.9460     72.562   ?       ?       12.555  6.2305  0.000000       6.230523 
1 1 1 -28 -24 46 o 15.236  7.2633  94.197     74.415   87.293     225.654  95.040     78.825   ?       ?       15.083  7.2644  0.000000       7.264355 
1 1 1 -28 -24 47 o ?       ?       -90.8744   82.579   -324.2395  209.890  -48.1353   89.823   ?       ?       11.807  5.9911  0.000000       5.991133 
1 1 1 -28 -24 48 o 12.255  6.2246  -17.2177   98.732   9.3176     221.587  -23.7906   110.284  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -24 49 o 11.277  5.6565  -21.3150   67.160   -70.4546   178.014  -13.1598   72.519   ?       ?       11.608  5.8300  0.000000       5.830047 
1 1 1 -28 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -23 10 o 10.522  4.6244  10.336     22.786   0.0000     0.0000   10.336     22.786   ?       ?       10.522  4.6244  0.000000       4.624386 
1 1 1 -28 -23 11 o 16.482  7.7766  120.775    81.147   0.0000     0.0000   120.775    81.147   ?       ?       16.482  7.7766  0.000000       7.776584 
1 1 1 -28 -23 12 o 14.963  6.6213  56.981     47.482   0.0000     0.0000   56.981     47.482   ?       ?       14.963  6.6213  0.000000       6.621313 
1 1 1 -28 -23 13 o 13.365  6.3065  31.676     53.393   0.0000     0.0000   31.676     53.393   ?       ?       13.365  6.3065  0.000000       6.306469 
1 1 1 -28 -23 14 o 13.550  6.2911  35.859     49.631   95.295     94.670   13.333     58.283   15.110  7.4267  12.685  6.1431  2.425497       9.638150 
1 1 1 -28 -23 15 o 14.765  6.7919  58.868     55.931   246.180    109.925  -6.5649    64.970   18.456  8.8065  12.259  6.0498  6.196941       10.68431 
1 1 1 -28 -23 16 o 13.811  6.5277  40.349     57.645   51.095     134.439  37.928     63.808   ?       ?       13.723  6.5911  0.000000       6.591113 
1 1 1 -28 -23 17 o 16.574  7.7941  121.891    80.292   244.085    176.441  89.977     90.170   ?       ?       15.111  7.3897  0.000000       7.389700 
1 1 1 -28 -23 18 o 17.018  7.9421  132.695    80.747   76.061     160.495  151.888    93.434   ?       ?       16.851  8.0623  0.000000       8.062323 
1 1 1 -28 -23 19 o 12.169  5.8964  2.8957     53.858   -43.8427   122.017  14.205     60.022   ?       ?       12.810  6.2113  0.000000       6.211330 
1 1 1 -28 -23 20 o 14.399  6.7868  52.384     61.526   14.012     110.040  69.836     74.210   13.596  6.8713  14.891  7.1403  -1.294101      9.909483 
1 1 1 -28 -23 21 o 15.643  7.2374  79.891     64.839   87.219     120.410  76.899     76.948   14.705  7.4016  15.104  7.2499  -0.3986845     10.36072 
1 1 1 -28 -23 22 o ?       ?       -142.9018  106.406  -359.8885  200.278  -57.5652   125.599  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -23 23 f 13.974  7.0649  33.687     117.298  -145.3731  213.484  111.120    140.387  ?       ?       14.885  7.5462  0.000000       7.546225 
1 1 1 -28 -23 24 o 12.183  6.0094  -10.9100   63.833   -155.5603  121.325  44.459     75.062   ?       ?       14.092  6.8589  0.000000       6.858906 
1 1 1 -28 -23 25 o 17.149  7.6236  104.215    63.647   94.260     128.339  107.463    73.295   14.801  7.4734  16.573  7.6771  -1.771974      10.71402 
1 1 1 -28 -23 26 o 17.024  7.5930  102.190    63.683   113.479    129.675  98.602     73.106   15.056  7.5913  16.180  7.5530  -1.123371      10.70866 
1 1 1 -28 -23 27 o 13.173  6.4149  18.691     65.919   147.005    123.925  -31.9412   77.846   15.676  7.8367  12.215  6.1218  3.461143       9.944368 
1 1 1 -28 -23 28 o 12.459  6.1494  -5.6591    67.210   27.772     131.349  -17.5169   78.226   13.957  7.0979  12.527  6.2570  1.430499       9.462070 
1 1 1 -28 -23 29 o 16.084  7.5607  99.962     75.430   242.241    142.376  44.445     88.937   16.601  8.3142  14.086  6.9741  2.515553       10.85196 
1 1 1 -28 -23 30 o 16.149  7.6085  104.120    77.171   163.217    144.484  80.533     91.281   15.432  7.8053  14.940  7.3326  0.4922075      10.70938 
1 1 1 -28 -23 31 o 13.694  6.7149  32.498     75.987   -106.5143  149.664  80.777     88.200   ?       ?       14.981  7.3225  0.000000       7.322513 
1 1 1 -28 -23 32 o 14.067  6.9963  45.396     93.475   55.583     157.167  39.820     116.275  ?       ?       14.005  7.0765  0.000000       7.076465 
1 1 1 -28 -23 33 o 13.368  6.7089  9.9483     95.044   172.697    166.117  -69.2559   115.886  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -23 34 o 12.109  6.0720  -32.7671   77.068   -163.0289  159.444  6.9439     88.035   ?       ?       13.200  6.5999  0.000000       6.599944 
1 1 1 -28 -23 35 o 12.587  6.1132  9.3270     58.794   -31.5103   108.326  26.381     70.002   12.919  6.5579  13.406  6.5462  -0.4862728     9.266023 
1 1 1 -28 -23 36 f 13.551  6.6319  30.134     73.048   345.621    151.083  -66.1178   83.450   17.660  8.8010  11.733  5.9340  5.927202       10.61458 
1 1 1 -28 -23 37 o 13.364  6.5138  25.784     68.412   -38.1484   137.489  46.821     78.868   ?       ?       14.065  6.8851  0.000000       6.885062 
1 1 1 -28 -23 38 o 14.728  7.4513  100.578    132.294  -424.2663  293.737  234.129    148.173  ?       ?       16.161  8.1440  0.000000       8.144030 
1 1 1 -28 -23 39 o 15.165  7.6255  124.929    126.085  -178.1748  293.234  193.678    139.654  ?       ?       15.875  7.9882  0.000000       7.988174 
1 1 1 -28 -23 40 o 12.259  6.0844  -14.7156   69.273   -22.9411   170.628  -13.0922   75.801   ?       ?       12.517  6.2375  0.000000       6.237452 
1 1 1 -28 -23 41 o 11.960  5.9593  -27.5191   69.160   -221.3122  164.338  14.189     76.240   ?       ?       13.225  6.5312  0.000000       6.531160 
1 1 1 -28 -23 42 o 15.444  7.3569  84.238     76.054   240.146    173.564  47.188     84.609   ?       ?       14.163  6.9727  0.000000       6.972697 
1 1 1 -28 -23 43 o 16.117  7.6097  104.300    77.953   -25.6127   183.570  132.882    86.102   ?       ?       16.756  7.9372  0.000000       7.937191 
1 1 1 -28 -23 44 o 11.022  5.5577  -70.3127   69.616   130.026    165.526  -113.3640  76.732   ?       ?       10.691  5.4355  0.000000       5.435530 
1 1 1 -28 -23 45 o 15.575  7.3575  89.913     73.028   23.040     174.801  104.052    80.379   ?       ?       15.797  7.5358  0.000000       7.535787 
1 1 1 -28 -23 46 o 20.782  8.8254  201.747    77.514   76.283     179.266  230.599    85.966   ?       ?       20.824  9.0712  0.000000       9.071198 
1 1 1 -28 -23 47 o 14.613  7.2451  93.147     97.190   168.482    230.028  76.777     107.231  ?       ?       14.161  7.1092  0.000000       7.109185 
1 1 1 -28 -23 48 o 13.962  6.9774  73.768     97.825   -230.1279  226.434  143.505    108.470  ?       ?       15.089  7.5095  0.000000       7.509454 
1 1 1 -28 -23 49 o 11.518  5.7725  -21.3092   69.206   56.546     179.693  -34.8689   74.991   ?       ?       11.439  5.7682  0.000000       5.768220 
1 1 1 -28 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -22 9  o 8.1451  3.8936  -15.2519   21.693   0.0000     0.0000   -15.2519   21.693   ?       ?       8.1451  3.8936  0.000000       3.893609 
1 1 1 -28 -22 10 o 11.921  5.1090  20.263     26.411   0.0000     0.0000   20.263     26.411   ?       ?       11.921  5.1090  0.000000       5.109010 
1 1 1 -28 -22 11 o 13.423  6.5518  24.001     69.886   0.0000     0.0000   24.001     69.886   ?       ?       13.423  6.5518  0.000000       6.551762 
1 1 1 -28 -22 12 o 13.692  6.3163  36.287     48.862   0.0000     0.0000   36.287     48.862   ?       ?       13.692  6.3163  0.000000       6.316322 
1 1 1 -28 -22 13 o 44.107  6.3156  378.038    65.661   637.845    124.833  278.667    77.203   35.640  12.097  28.148  9.5137  7.492599       15.39005 
1 1 1 -28 -22 14 o 12.018  5.7581  4.2258     48.046   -141.9758  91.860   59.283     56.371   ?       ?       14.947  6.8543  0.000000       6.854342 
1 1 1 -28 -22 15 o 11.117  5.4822  -27.7426   53.032   -98.8478   117.732  -9.6430    59.399   ?       ?       12.061  5.9187  0.000000       5.918688 
1 1 1 -28 -22 16 o 15.154  7.0025  64.547     60.420   282.103    154.031  24.985     65.684   16.895  8.4868  13.437  6.5110  3.457630       10.69671 
1 1 1 -28 -22 17 o 13.181  6.4664  13.300     70.732   108.026    148.488  -14.5022   80.445   14.919  7.5833  12.732  6.3573  2.187510       9.895546 
1 1 1 -28 -22 18 o 12.742  6.1096  13.201     54.313   49.911     144.030  7.1158     58.642   ?       ?       12.655  6.1368  0.000000       6.136786 
1 1 1 -28 -22 19 o 13.884  6.4839  37.130     53.965   -52.0106   109.221  65.920     62.071   12.887  6.5457  15.269  7.0702  -2.382040      9.635046 
1 1 1 -28 -22 20 o 12.953  6.2456  13.855     58.662   92.257     106.928  -19.9023   70.164   15.236  7.5617  12.322  6.1172  2.913948       9.726284 
1 1 1 -28 -22 21 o 10.032  5.0540  -82.4941   56.771   -106.7213  122.169  -75.8215   64.114   ?       ?       10.721  5.3970  0.000000       5.396983 
1 1 1 -28 -22 22 o 14.232  7.1872  33.170     118.952  -96.0029   248.133  71.714     135.542  ?       ?       14.745  7.4688  0.000000       7.468801 
1 1 1 -28 -22 23 o ?       ?       -141.6106  109.822  -312.8012  196.291  -63.6077   132.500  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -22 24 o 14.259  6.7330  42.671     61.048   113.083    123.661  19.981     70.199   15.464  7.7450  13.506  6.5865  1.957639       10.16696 
1 1 1 -28 -22 25 o 12.092  5.9283  -12.2632   59.140   -33.0654   117.234  -5.1625    68.493   13.365  6.7877  12.706  6.2588  0.6590281      9.232873 
1 1 1 -28 -22 26 o 17.173  7.6536  100.264    64.574   89.534     125.080  104.163    75.399   15.078  7.5833  16.642  7.7359  -1.564576      10.83283 
1 1 1 -28 -22 27 o 16.846  7.6145  97.268     66.461   157.917    128.085  74.923     77.746   16.124  8.0464  15.360  7.3502  0.7639894      10.89822 
1 1 1 -28 -22 28 o 9.8108  4.9592  -96.9216   57.593   -59.9382   116.890  -108.7779  66.184   ?       ?       10.251  5.1954  0.000000       5.195425 
1 1 1 -28 -22 29 o 10.031  5.0813  -106.9132  62.816   4.2402     116.395  -152.5900  74.614   13.801  6.9832  ?       ?       0.000000       6.983184 
1 1 1 -28 -22 30 o 13.237  6.5175  9.7504     73.986   61.872     136.634  -11.8720   88.004   14.584  7.3992  13.065  6.5422  1.519537       9.876655 
1 1 1 -28 -22 31 o 14.710  7.0874  57.799     75.216   -36.6143   145.461  92.257     87.876   ?       ?       15.596  7.5505  0.000000       7.550507 
1 1 1 -28 -22 32 o 13.545  6.7842  8.8773     94.856   -20.5171   163.601  23.763     116.421  ?       ?       13.994  7.0718  0.000000       7.071753 
1 1 1 -28 -22 33 o 13.894  6.9493  26.902     98.011   27.806     168.651  26.440     120.437  ?       ?       14.025  7.0971  0.000000       7.097137 
1 1 1 -28 -22 34 o 13.732  6.7654  27.612     80.134   -12.3745   213.497  34.169     86.455   ?       ?       13.949  6.9008  0.000000       6.900800 
1 1 1 -28 -22 35 o 10.675  5.3792  -76.5283   64.559   -78.8335   140.630  -75.9128   72.669   ?       ?       11.170  5.6382  0.000000       5.638170 
1 1 1 -28 -22 36 o 17.615  8.1018  138.038    79.553   -15.4201   173.823  178.697    89.473   ?       ?       18.481  8.5333  0.000000       8.533335 
1 1 1 -28 -22 37 o 32.560  12.047  601.975    126.150  197.833    282.043  703.045    141.045  ?       ?       32.120  12.531  0.000000       12.53104 
1 1 1 -28 -22 38 o ?       ?       -79.5705   123.575  -34.0907   275.687  -91.0060   138.241  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -22 39 f ?       ?       -66.5099   116.717  -40.0465   279.473  -72.1006   128.456  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -22 40 o 15.230  7.3134  77.369     78.474   101.156    178.958  71.706     87.317   ?       ?       14.894  7.2813  0.000000       7.281304 
1 1 1 -28 -22 41 o 17.509  8.1107  138.336    81.801   342.294    177.713  83.506     92.142   16.859  8.5412  15.172  7.4304  1.687108       11.32089 
1 1 1 -28 -22 42 o 11.723  5.8745  -47.1301   71.572   -225.3849  169.555  -8.4820    78.950   ?       ?       12.863  6.4024  0.000000       6.402421 
1 1 1 -28 -22 43 o 10.931  5.5257  -87.5200   71.616   -204.0047  174.206  -63.8299   78.562   ?       ?       11.715  5.9068  0.000000       5.906831 
1 1 1 -28 -22 44 o 13.311  6.5621  14.071     75.750   -3.3155    174.968  18.082     84.034   ?       ?       13.548  6.7203  0.000000       6.720323 
1 1 1 -28 -22 45 o 15.486  7.3005  80.235     71.239   -23.4276   170.840  102.053    78.378   ?       ?       16.083  7.6048  0.000000       7.604846 
1 1 1 -28 -22 46 o 12.324  6.1009  -9.5722    67.980   -38.1326   168.693  -4.0350    74.278   ?       ?       12.663  6.2878  0.000000       6.287823 
1 1 1 -28 -22 47 o ?       ?       -80.3682   96.457   252.436    223.475  -156.5657  106.931  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -22 48 o 13.266  6.6567  23.723     93.406   41.799     228.544  20.098     102.343  ?       ?       13.269  6.6969  0.000000       6.696912 
1 1 1 -28 -22 49 o 14.793  7.0826  84.956     72.399   114.844    181.516  79.301     78.952   ?       ?       14.399  7.0138  0.000000       7.013805 
1 1 1 -28 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -21 9  o ?       ?       -105.1105  6.7653   0.0000     0.0000   -105.1105  6.7653   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -21 10 o 28.938  6.8311  174.824    47.195   0.0000     0.0000   174.824    47.195   ?       ?       28.938  6.8311  0.000000       6.831098 
1 1 1 -28 -21 11 o 14.357  6.9330  47.624     72.984   0.0000     0.0000   47.624     72.984   ?       ?       14.357  6.9330  0.000000       6.933033 
1 1 1 -28 -21 12 o 20.045  7.5107  111.132    49.340   -28.2848   99.934   156.071    56.737   13.033  6.5827  23.126  8.1418  -10.09273      10.47000 
1 1 1 -28 -21 13 o 16.939  7.1530  80.480     50.465   121.859    98.262   65.656     58.813   16.166  7.8633  15.402  7.0402  0.7636557      10.55444 
1 1 1 -28 -21 14 o 10.587  5.2143  -33.3090   47.467   -41.7077   106.633  -31.2334   53.009   13.023  6.5996  11.090  5.4712  1.933095       8.572533 
1 1 1 -28 -21 15 o 14.148  6.5941  40.441     55.370   36.142     112.582  41.812     63.593   14.284  7.1855  14.231  6.7643  0.5348110E-01  9.868503 
1 1 1 -28 -21 16 o 11.872  5.8757  -26.9112   62.888   -79.1670   115.747  -5.0246    74.909   ?       ?       12.952  6.4106  0.000000       6.410610 
1 1 1 -28 -21 17 o 13.231  6.4715  9.5963     69.239   -46.4052   131.444  31.103     81.457   ?       ?       14.071  6.9104  0.000000       6.910357 
1 1 1 -28 -21 18 o 15.379  6.9699  60.557     56.109   186.081    128.794  31.153     62.335   16.823  8.3407  13.883  6.6264  2.940137       10.65254 
1 1 1 -28 -21 19 o 11.664  5.6608  -12.1381   50.155   -168.5766  104.322  34.891     57.199   ?       ?       14.015  6.5868  0.000000       6.586810 
1 1 1 -28 -21 20 o 18.250  7.9592  115.496    66.355   269.930    133.826  65.152     76.409   18.437  9.0135  15.259  7.2978  3.178732       11.59747 
1 1 1 -28 -21 21 o 13.612  6.5279  22.607     62.066   208.490    125.689  -37.3353   71.375   17.584  8.6252  12.140  6.0501  5.443469       10.53550 
1 1 1 -28 -21 22 o ?       ?       -84.6330   121.540  -528.4806  260.483  38.891     137.416  ?       ?       14.672  7.4413  0.000000       7.441325 
1 1 1 -28 -21 23 o 20.224  9.0828  204.848    92.816   -138.8326  257.479  256.178    99.506   ?       ?       21.789  9.6164  0.000000       9.616417 
1 1 1 -28 -21 24 o 16.521  7.4067  80.391     61.436   36.451     121.684  95.424     71.173   14.619  7.3688  16.826  7.7110  -2.207458      10.66577 
1 1 1 -28 -21 25 f 15.755  7.1969  67.137     61.342   -7.9338    123.617  91.660     70.654   14.029  7.1091  16.665  7.6540  -2.636027      10.44618 
1 1 1 -28 -21 26 o 13.744  6.5699  25.229     61.749   33.614     119.645  22.184     72.092   14.561  7.3355  13.840  6.7327  0.7214746      9.956858 
1 1 1 -28 -21 27 o 12.492  6.1041  -7.7970    61.141   -50.4808   119.418  7.3671     71.178   13.415  6.8168  13.345  6.5346  0.6953907E-01  9.443012 
1 1 1 -28 -21 28 o 14.957  6.9842  53.084     62.575   -13.9918   124.226  75.890     72.436   13.917  7.0600  15.808  7.4239  -1.890723      10.24484 
1 1 1 -28 -21 29 o 10.868  5.4354  -61.2529   59.901   31.279     119.814  -92.0883   69.165   14.459  7.2911  10.852  5.4802  3.607499       9.121024 
1 1 1 -28 -21 30 o 20.342  8.4945  153.032    69.931   306.172    139.716  101.843    80.778   18.793  9.1921  16.514  7.7815  2.279072       12.04352 
1 1 1 -28 -21 31 o 12.406  6.0897  -10.9066   62.988   -134.9713  124.732  31.561     72.976   ?       ?       14.045  6.8188  0.000000       6.818784 
1 1 1 -28 -21 32 o 16.682  8.0166  126.595    94.671   32.119     167.081  171.270    114.894  ?       ?       17.019  8.3267  0.000000       8.326680 
1 1 1 -28 -21 33 o 12.983  6.4776  -14.1611   82.791   -68.8909   155.520  7.4832     97.802   ?       ?       13.728  6.8773  0.000000       6.877336 
1 1 1 -28 -21 34 o ?       ?       -169.3376  65.372   21.051     145.158  -217.7745  73.217   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -21 35 o 14.296  6.9260  43.088     74.258   -136.6707  162.826  90.294     83.440   ?       ?       15.758  7.5600  0.000000       7.560030 
1 1 1 -28 -21 36 o 20.918  8.9413  194.490    80.510   351.450    176.742  153.393    90.437   17.225  8.7052  17.660  8.2943  -0.4355812     12.02403 
1 1 1 -28 -21 37 o 15.166  7.2658  69.984     76.472   74.175     162.629  68.794     86.650   ?       ?       14.976  7.3064  0.000000       7.306371 
1 1 1 -28 -21 38 o 19.073  9.3322  360.281    144.385  745.102    306.030  250.094    163.757  ?       ?       16.407  8.2997  0.000000       8.299726 
1 1 1 -28 -21 39 o 14.441  7.2962  49.454     123.420  267.024    289.323  1.0556     136.459  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -21 40 o 12.213  6.1104  -35.5497   76.023   102.945    168.914  -70.7294   85.133   ?       ?       11.926  6.0287  0.000000       6.028748 
1 1 1 -28 -21 41 o 12.938  6.4195  -5.6977    76.859   271.811    173.785  -73.1759   85.695   16.447  8.3441  11.921  6.0280  4.525717       10.29376 
1 1 1 -28 -21 42 o ?       ?       -150.5949  66.139   -147.8889  163.668  -151.1230  72.306   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -21 43 o 17.365  8.6816  281.043    152.203  96.354     267.228  369.724    185.173  ?       ?       17.248  8.7361  0.000000       8.736073 
1 1 1 -28 -21 44 o 11.181  5.6349  -75.7931   71.042   -310.5858  172.660  -27.9426   77.946   ?       ?       12.487  6.2385  0.000000       6.238454 
1 1 1 -28 -21 45 o 16.744  7.7432  106.225    74.095   155.085    167.059  94.259     82.672   ?       ?       15.857  7.5859  0.000000       7.585936 
1 1 1 -28 -21 46 o 11.024  5.3035  -9.0579    41.720   -8.0257    51.439   -11.0422   71.318   11.736  5.7042  12.535  6.2132  -0.7989235     8.434565 
1 1 1 -28 -21 47 f 19.825  8.0066  133.498    59.517   129.426    67.909   146.986    123.598  18.207  7.9931  15.627  7.8145  2.580000       11.17840 
1 1 1 -28 -21 48 o 18.059  7.6898  114.739    59.141   60.456     67.282   299.223    124.035  14.495  6.9092  18.428  8.9336  -3.932087      11.29366 
1 1 1 -28 -21 49 o 9.6013  4.7509  -37.1562   41.043   -70.1452   50.154   29.732     71.415   9.5092  4.7852  13.204  6.4818  -3.694723      8.056763 
1 1 1 -28 -21 50 o 15.831  6.7586  74.523     45.896   76.028     55.575   71.297     81.391   15.129  6.8874  14.039  6.8972  1.090002       9.747166 
1 1 1 -28 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -20 9  o 7.7489  3.6834  -13.3935   18.858   0.0000     0.0000   -13.3935   18.858   ?       ?       7.7489  3.6834  0.000000       3.683394 
1 1 1 -28 -20 10 o 13.307  6.3839  19.780     59.480   0.0000     0.0000   19.780     59.480   ?       ?       13.307  6.3839  0.000000       6.383902 
1 1 1 -28 -20 11 o 9.2797  4.5638  -36.9577   35.927   86.245     164.820  -43.1037   36.813   ?       ?       9.1546  4.5243  0.000000       4.524318 
1 1 1 -28 -20 12 f 12.435  5.7840  14.251     42.253   108.078    93.974   -9.5243    47.304   16.150  7.8161  11.548  5.5779  4.602332       9.602327 
1 1 1 -28 -20 13 o 10.848  5.3073  -26.2368   46.644   33.737     111.800  -38.8760   51.324   14.402  7.2343  10.804  5.3399  3.598596       8.991617 
1 1 1 -28 -20 14 o 11.053  5.3988  -23.7442   47.714   104.298    101.790  -59.8019   54.017   15.964  7.8165  10.444  5.2140  5.520642       9.395926 
1 1 1 -28 -20 15 o 10.628  5.2438  -38.7642   48.713   9.4278     99.345   -54.0193   55.894   13.962  6.9856  10.772  5.3658  3.190736       8.808552 
1 1 1 -28 -20 16 o 13.416  6.4641  15.600     62.562   33.654     103.028  5.0538     78.742   14.515  7.2391  13.523  6.6708  0.9922009      9.844030 
1 1 1 -28 -20 17 o 15.141  7.1706  55.951     70.195   50.827     124.876  58.319     84.873   14.931  7.5182  15.132  7.3484  -0.2013073     10.51294 
1 1 1 -28 -20 18 o 15.395  7.0142  56.831     57.785   35.103     117.964  63.691     66.283   14.730  7.4027  15.593  7.2499  -0.8636999     10.36148 
1 1 1 -28 -20 19 o 14.420  6.6543  38.658     54.296   72.709     118.419  29.594     61.096   15.411  7.6979  14.066  6.6696  1.345519       10.18537 
1 1 1 -28 -20 20 f 15.767  7.3357  66.181     68.048   -115.9646  129.353  135.875    80.014   ?       ?       18.588  8.3827  0.000000       8.382695 
1 1 1 -28 -20 21 f 15.185  7.1106  52.380     65.632   52.490     120.455  52.334     78.270   15.147  7.5949  15.139  7.2785  0.8519173E-02  10.51941 
1 1 1 -28 -20 22 o 14.920  7.4371  39.962     108.080  484.616    270.892  -44.2199   117.868  ?       ?       13.723  6.9529  0.000000       6.952864 
1 1 1 -28 -20 23 o 13.872  6.9546  -12.3071   100.870  213.804    273.823  -47.8088   108.501  ?       ?       13.475  6.8113  0.000000       6.811254 
1 1 1 -28 -20 24 o 23.579  8.9444  184.177    70.463   224.543    160.490  174.537    78.426   17.224  8.6536  21.222  8.9371  -3.998228      12.44006 
1 1 1 -28 -20 25 o 15.719  7.2034  61.381     62.105   99.981     124.507  48.596     71.656   15.987  7.9709  15.045  7.1599  0.9419241      10.71449 
1 1 1 -28 -20 26 o 18.581  7.9936  110.838    65.095   207.418    126.008  75.682     76.025   18.134  8.8394  16.078  7.5681  2.056263       11.63667 
1 1 1 -28 -20 27 o 11.087  5.5253  -57.2813   59.555   -23.8299   117.934  -68.7318   68.999   13.981  7.0696  11.466  5.7488  2.515068       9.111993 
1 1 1 -28 -20 28 o 17.547  7.8375  99.779     68.110   -84.6847   134.708  163.133    78.944   ?       ?       20.266  8.7603  0.000000       8.760312 
1 1 1 -28 -20 29 o 21.071  8.5378  151.092    67.919   85.350     135.376  173.206    78.515   15.531  7.8216  20.900  8.8791  -5.368938      11.83277 
1 1 1 -28 -20 30 o 16.401  7.4528  78.169     64.693   314.377    133.992  6.3703     73.874   20.010  9.5949  13.519  6.6275  6.491011       11.66135 
1 1 1 -28 -20 31 o 15.610  7.2391  64.557     65.438   130.869    135.927  44.552     74.659   16.072  8.0599  14.709  7.0809  1.363026       10.72853 
1 1 1 -28 -20 32 o 13.831  6.8513  10.503     86.214   77.439     159.906  -16.9284   102.367  ?       ?       13.609  6.8465  0.000000       6.846540 
1 1 1 -28 -20 33 o 12.865  6.4388  -30.1737   84.742   -261.1162  166.809  50.162     98.383   ?       ?       14.803  7.3304  0.000000       7.330447 
1 1 1 -28 -20 34 o 17.837  7.9536  113.565    69.830   152.215    148.872  102.663    79.068   15.963  8.0590  16.691  7.8123  -0.7278080     11.22402 
1 1 1 -28 -20 35 o 15.108  7.1139  58.805     67.277   117.435    165.952  47.274     73.596   ?       ?       14.614  7.0339  0.000000       7.033926 
1 1 1 -28 -20 36 o 9.9443  5.0307  -103.9989  60.201   -88.1538   157.727  -106.7008  65.132   ?       ?       10.276  5.2021  0.000000       5.202064 
1 1 1 -28 -20 37 o 13.527  6.6043  17.007     71.157   186.252    167.323  -20.3592   78.621   15.908  8.0822  12.752  6.3541  3.155684       10.28090 
1 1 1 -28 -20 38 o ?       ?       -226.6051  109.429  -548.6909  262.904  -159.1103  120.350  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -20 39 f 14.696  7.4017  56.266     121.410  225.659    289.227  20.032     133.766  ?       ?       14.254  7.2407  0.000000       7.240664 
1 1 1 -28 -20 40 o 15.186  6.7130  54.725     48.681   77.344     58.756   5.2046     86.937   16.265  7.2710  13.522  6.7285  2.743158       9.906552 
1 1 1 -28 -20 41 o 11.035  5.3731  -19.8924   46.192   -27.6645   55.066   -1.4373    84.855   11.415  5.6211  13.347  6.6427  -1.932048      8.701863 
1 1 1 -28 -20 42 o 13.049  6.0385  22.158     45.169   55.211     53.256   -62.5664   85.265   15.132  6.8303  12.182  6.1439  2.950205       9.186921 
1 1 1 -28 -20 43 o 17.765  7.4517  91.681     54.176   114.583    58.207   -56.7264   148.170  19.167  7.8516  ?       ?       0.000000       7.851576 
1 1 1 -28 -20 44 o 19.591  7.4598  103.515    49.131   136.364    62.699   51.255     79.083   20.253  8.2044  14.723  7.1368  5.529548       10.87405 
1 1 1 -28 -20 45 o 13.250  6.2013  23.350     49.806   -0.5261    62.291   65.671     82.931   12.696  6.1942  15.107  7.3190  -2.411133      9.588313 
1 1 1 -28 -20 46 o 12.793  5.9927  17.983     46.683   -28.0476   57.194   109.862    80.804   11.496  5.6738  16.623  7.8177  -5.126546      9.659645 
1 1 1 -28 -20 47 o 19.614  7.9830  127.897    59.685   139.531    67.862   88.161     125.416  19.188  8.2056  14.914  7.5129  4.274568       11.12545 
1 1 1 -28 -20 48 o 16.906  7.4052  93.239     58.001   92.577     65.611   95.608     124.081  16.271  7.4369  14.809  7.4615  1.462328       10.53476 
1 1 1 -28 -20 49 o 9.7327  4.8589  -52.9467   46.904   -75.9211   57.095   -5.2585    82.258   10.013  5.0473  12.688  6.3493  -2.674769      8.111074 
1 1 1 -28 -20 50 o 12.291  5.7891  19.801     44.621   45.432     53.543   -38.4705   80.732   13.710  6.4209  11.805  5.9567  1.905471       8.758437 
1 1 1 -28 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -19 9  o 10.162  4.7563  -4.6596    29.311   0.0000     0.0000   -4.6596    29.311   ?       ?       10.162  4.7563  0.000000       4.756274 
1 1 1 -28 -19 10 o 17.235  7.8266  104.280    71.198   0.0000     0.0000   104.280    71.198   ?       ?       17.235  7.8266  0.000000       7.826564 
1 1 1 -28 -19 11 o 12.260  5.6489  12.943     38.911   -98.9284   91.406   37.702     43.002   11.958  6.0652  14.161  6.2821  -2.202696      8.732204 
1 1 1 -28 -19 12 o 15.426  6.7649  54.852     48.528   -51.3464   101.425  86.381     55.265   13.057  6.5984  17.441  7.4303  -4.384533      9.937260 
1 1 1 -28 -19 13 o 11.237  5.4530  -18.7655   46.511   -66.4043   105.041  -7.1478    51.873   12.987  6.5781  12.101  5.8439  0.8864689      8.799044 
1 1 1 -28 -19 14 o 17.991  7.5156  90.794     54.771   -98.9170   109.515  154.072    63.249   12.742  6.4801  22.272  8.4681  -9.529946      10.66304 
1 1 1 -28 -19 15 o 9.8549  4.8932  -54.3162   44.977   -133.6866  86.782   -25.1671   52.591   11.380  5.7855  11.532  5.6404  -0.1520090     8.079964 
1 1 1 -28 -19 16 o 13.327  6.3981  10.205     59.987   68.210     119.043  -9.5368    69.450   15.501  7.7389  13.031  6.3958  2.469696       10.03977 
1 1 1 -28 -19 17 o 14.252  6.8066  27.848     65.985   74.416     132.931  12.622     76.011   15.632  7.8566  13.954  6.8156  1.678808       10.40090 
1 1 1 -28 -19 18 o 13.924  6.5950  22.749     59.406   -56.1905   120.287  48.215     68.320   13.764  6.9789  15.174  7.1522  -1.409695      9.992929 
1 1 1 -28 -19 19 o 12.201  5.9803  -23.9793   60.048   -85.3489   114.568  -0.7353    70.509   13.290  6.7458  13.458  6.5715  -0.1682787     9.417564 
1 1 1 -28 -19 20 o 12.968  6.2987  -5.9392    62.435   -50.9739   113.413  13.644     74.788   13.753  6.9524  14.074  6.8491  -0.3212671     9.759424 
1 1 1 -28 -19 21 o 15.843  7.5929  63.849     83.675   204.190    124.016  -53.4289   113.369  18.680  9.0250  13.742  6.9475  4.937807       11.38940 
1 1 1 -28 -19 22 f 18.924  9.0301  194.365    115.608  -158.1781  290.666  260.615    126.003  ?       ?       20.184  9.5729  0.000000       9.572941 
1 1 1 -28 -19 23 o 19.630  9.3025  222.860    118.508  732.155    291.211  121.777    129.736  ?       ?       16.728  8.3066  0.000000       8.306623 
1 1 1 -28 -19 24 f 19.148  8.3871  126.209    74.397   34.835     137.255  164.224    88.531   15.328  7.7384  19.886  8.9049  -4.557628      11.79748 
1 1 1 -28 -19 25 o 9.5383  4.8464  -139.3918  60.229   -173.5830  123.799  -128.7896  68.938   ?       ?       10.451  5.2974  0.000000       5.297394 
1 1 1 -28 -19 26 o 14.367  6.7744  29.360     61.401   -38.7268   129.555  49.084     69.730   14.273  7.2372  15.329  7.2254  -1.056632      10.22660 
1 1 1 -28 -19 27 o 15.355  7.0745  50.020     61.017   -26.8476   123.324  74.937     70.213   14.292  7.2273  16.485  7.5929  -2.192880      10.48269 
1 1 1 -28 -19 28 o 13.749  6.5648  16.417     61.294   137.079    128.927  -18.8185   69.671   16.888  8.3679  12.885  6.3405  4.003058       10.49879 
1 1 1 -28 -19 29 o 14.854  6.9588  41.480     62.981   156.809    132.429  7.7706     71.597   17.109  8.4780  13.730  6.6862  3.378812       10.79733 
1 1 1 -28 -19 30 o 13.967  6.6648  22.389     62.969   7.4617     134.246  26.600     71.299   14.731  7.4588  14.312  6.8969  0.4190340      10.15882 
1 1 1 -28 -19 31 o 14.889  6.9907  44.330     64.161   50.216     143.058  42.847     71.786   15.233  7.7115  14.861  7.0982  0.3717327      10.48101 
1 1 1 -28 -19 32 o 16.371  7.9001  96.581     94.346   111.193    177.634  90.839     111.350  ?       ?       15.930  7.8719  0.000000       7.871892 
1 1 1 -28 -19 33 o ?       ?       -168.3339  78.615   -94.5816   148.329  -197.1435  92.706   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -19 34 o 15.956  7.3601  70.900     66.312   92.872     146.279  65.217     74.396   15.512  7.8470  15.532  7.3633  -0.1945114E-01 10.76076 
1 1 1 -28 -19 35 o 19.204  8.5036  148.471    78.438   50.981     276.797  156.983    81.790   ?       ?       19.297  8.6061  0.000000       8.606137 
1 1 1 -28 -19 36 o 12.528  5.8620  12.006     44.455   -40.9297   55.821   103.798    73.506   11.157  5.5243  17.153  7.8516  -5.995435      9.600308 
1 1 1 -28 -19 37 o 21.210  7.7651  122.717    52.191   121.498    68.539   124.400    80.520   18.511  8.0807  17.625  8.1230  0.8861179      11.45780 
1 1 1 -28 -19 38 o 20.371  9.4525  265.894    111.805  325.328    281.369  254.750    121.837  ?       ?       19.010  9.1245  0.000000       9.124454 
1 1 1 -28 -19 39 o 16.038  7.9064  114.406    109.983  354.960    277.491  69.573     119.795  ?       ?       15.066  7.5568  0.000000       7.556783 
1 1 1 -28 -19 40 o 29.274  7.9469  205.798    57.897   299.638    76.559   80.441     88.486   32.104  9.2947  15.596  7.5570  16.50844       11.97919 
1 1 1 -28 -19 41 o 11.376  5.4636  -8.7930    43.823   -22.0985   53.370   18.747     76.783   11.546  5.6546  13.787  6.7583  -2.240503      8.811888 
1 1 1 -28 -19 42 o 9.1971  4.5886  -60.4098   41.547   -93.2522   49.918   13.628     74.949   9.2638  4.6756  13.621  6.6770  -4.356890      8.151325 
1 1 1 -28 -19 43 o 11.612  5.6000  -10.0168   47.223   -16.4032   58.733   1.6608     79.420   12.108  5.9301  13.442  6.6436  -1.334455      8.905244 
1 1 1 -28 -19 44 o 11.075  5.3490  -15.5371   43.489   -1.5920    52.435   -46.2714   77.844   12.307  5.9269  12.288  6.1530  0.1935387E-01  8.543244 
1 1 1 -28 -19 45 o 10.452  5.1550  -39.3284   46.945   -11.1274   56.345   -103.3382  84.888   12.137  5.9151  11.583  5.8716  0.5547209      8.334516 
1 1 1 -28 -19 46 o 15.336  6.8479  57.120     51.962   -17.9928   65.860   180.975    84.571   12.352  6.0948  19.914  8.8232  -7.561195      10.72364 
1 1 1 -28 -19 47 o 13.490  6.3226  27.717     52.093   49.660     57.932   -64.9634   119.062  14.660  6.8031  ?       ?       0.000000       6.803124 
1 1 1 -28 -19 48 o 15.416  6.9497  64.577     54.941   35.373     62.507   163.780    115.203  13.844  6.6155  16.465  8.1121  -2.621060      10.46764 
1 1 1 -28 -19 49 o 14.964  6.6806  57.765     49.427   45.792     59.223   85.245     89.722   14.088  6.6459  15.015  7.3489  -0.9271173     9.908329 
1 1 1 -28 -19 50 o 12.321  5.8390  16.958     46.706   10.477     56.276   31.305     83.728   12.353  5.9952  13.410  6.6613  -1.056881      8.961917 
1 1 1 -28 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -18 8  f 36.761  6.0895  247.108    52.415   0.0000     0.0000   247.108    52.415   ?       ?       36.761  6.0895  0.000000       6.089464 
1 1 1 -28 -18 9  o 18.342  6.4969  72.401     36.181   38.882     77.673   81.689     40.887   14.559  7.0609  18.785  6.8735  -4.225822      9.854025 
1 1 1 -28 -18 10 o 12.579  6.1011  -4.5803    58.033   0.0000     0.0000   -4.5803    58.033   ?       ?       12.579  6.1011  0.000000       6.101117 
1 1 1 -28 -18 11 f 9.2818  4.5557  -37.5298   35.238   -46.4941   87.240   -35.7821   38.520   12.814  6.4304  9.7728  4.7900  3.041508       8.018336 
1 1 1 -28 -18 12 o 22.526  7.9346  133.439    53.893   128.625    112.368  134.877    61.418   16.845  8.2402  21.085  8.2571  -4.239740      11.66536 
1 1 1 -28 -18 13 f 15.857  7.0095  58.463     53.074   -3.1654    109.880  77.216     60.614   14.295  7.1794  16.820  7.4603  -2.524622      10.35371 
1 1 1 -28 -18 14 o 13.440  6.2711  18.674     50.307   68.281     98.747   1.2853     58.463   15.781  7.7206  13.010  6.2635  2.770761       9.941821 
1 1 1 -28 -18 15 o 10.131  5.0039  -48.1743   44.799   -71.8019   93.094   -41.0539   51.105   12.804  6.4528  10.996  5.4148  1.807662       8.423668 
1 1 1 -28 -18 16 o 17.476  7.8894  92.316     71.081   45.914     139.339  108.640    82.644   15.528  7.8343  17.719  8.1882  -2.190375      11.33243 
1 1 1 -28 -18 17 o 15.393  7.3171  47.220     74.415   5.9268     142.198  62.794     87.328   15.112  7.6543  15.936  7.6680  -0.8235903     10.83450 
1 1 1 -28 -18 18 o 12.632  6.1262  -12.8958   58.465   117.349    108.860  -65.6933   69.310   17.279  8.3752  11.803  5.8946  5.476533       10.24158 
1 1 1 -28 -18 19 o 13.481  6.4965  2.2281     63.274   9.6016     116.223  -0.8779    75.433   14.999  7.5118  13.861  6.7745  1.137752       10.11533 
1 1 1 -28 -18 20 o 19.330  8.1485  110.522    65.303   169.328    118.091  84.618     78.377   18.523  8.9139  17.071  7.9189  1.451572       11.92337 
1 1 1 -28 -18 21 f 23.870  10.550  320.665    120.196  573.745    271.858  259.173    134.006  ?       ?       20.148  9.6438  0.000000       9.643846 
1 1 1 -28 -18 22 o 18.604  8.8994  162.873    113.732  -84.5940   276.381  213.322    124.787  ?       ?       19.494  9.3242  0.000000       9.324183 
1 1 1 -28 -18 23 o 14.146  7.0764  -26.5203   101.734  -57.7445   259.482  -20.8489   110.588  ?       ?       14.464  7.2558  0.000000       7.255825 
1 1 1 -28 -18 24 o 14.496  6.8510  25.578     63.459   -0.2600    130.540  33.574     72.617   15.109  7.6178  15.019  7.1640  0.9020329E-01  10.45726 
1 1 1 -28 -18 25 o 20.221  8.4845  129.465    70.267   114.730    142.310  134.216    80.805   16.831  8.4118  19.472  8.6262  -2.641022      12.04860 
1 1 1 -28 -18 26 o 21.859  8.7935  153.737    71.484   255.172    144.469  120.851    82.260   19.365  9.4450  18.616  8.4378  0.7493877      12.66506 
1 1 1 -28 -18 27 o 13.324  6.4700  -5.3619    65.767   0.0000     0.0000   -5.3619    65.767   ?       ?       13.324  6.4700  0.000000       6.469994 
1 1 1 -28 -18 28 o 14.155  6.7104  21.076     61.769   76.099     131.230  5.4166     70.009   16.135  8.0659  13.834  6.7077  2.301086       10.49057 
1 1 1 -28 -18 29 o 12.569  6.1098  -14.7995   59.061   -55.5893   126.877  -3.5159    66.732   14.140  7.1693  13.362  6.4950  0.7786360      9.673867 
1 1 1 -28 -18 30 o 14.445  6.8178  29.311     62.462   173.524    134.902  -10.0436   70.472   17.669  8.7190  13.273  6.4998  4.396096       10.87517 
1 1 1 -28 -18 31 o 14.703  7.2587  21.982     93.858   281.617    253.333  -19.3271   101.049  ?       ?       13.987  7.0047  0.000000       7.004686 
1 1 1 -28 -18 32 o 11.405  5.4614  -11.7800   43.080   12.103     48.139   -107.8326  96.539   12.988  6.0845  12.344  6.2579  0.6446114      8.728291 
1 1 1 -28 -18 33 o 12.447  5.9320  0.5817     49.560   8.1539     56.774   -23.6625   101.588  13.166  6.2952  13.789  6.9222  -0.6230831     9.356618 
1 1 1 -28 -18 34 o 12.269  5.8191  1.6878     46.567   -67.8080   59.591   110.685    74.629   10.858  5.4289  17.856  8.0703  -6.998961      9.726379 
1 1 1 -28 -18 35 o 10.233  5.0122  -34.2350   41.960   16.822     52.026   -129.2522  70.973   13.272  6.2512  10.472  5.3147  2.800191       8.205156 
1 1 1 -28 -18 36 o 9.7670  4.8376  -49.5841   42.941   -99.7249   54.323   33.933     70.110   9.6233  4.8595  14.391  6.9112  -4.767900      8.448651 
1 1 1 -28 -18 37 o 14.632  6.5096  42.794     46.489   25.870     58.177   72.696     77.327   13.807  6.5355  15.775  7.4867  -1.967795      9.937977 
1 1 1 -28 -18 38 o 17.146  8.3449  152.135    111.089  84.217     293.436  163.498    120.022  ?       ?       17.082  8.3890  0.000000       8.388973 
1 1 1 -28 -18 39 o 13.601  6.8302  -15.4066   99.343   -403.1303  283.025  39.075     106.093  ?       ?       14.684  7.3273  0.000000       7.327281 
1 1 1 -28 -18 40 o 12.918  6.0399  16.361     47.049   17.445     60.025   14.634     75.765   13.439  6.4383  13.746  6.7330  -0.3064966     9.315824 
1 1 1 -28 -18 41 o 11.465  5.5360  -12.7389   46.508   20.261     59.054   -66.6337   75.468   13.531  6.4558  11.785  5.9224  1.745930       8.760822 
1 1 1 -28 -18 42 o 23.189  8.1307  148.769    56.549   141.402    73.212   159.663    89.033   19.405  8.4123  18.712  8.5934  0.6929951      12.02550 
1 1 1 -28 -18 43 o 20.796  8.1525  132.127    59.918   93.630     69.628   242.015    117.636  16.985  7.7234  19.335  9.1935  -2.350546      12.00712 
1 1 1 -28 -18 44 o 26.415  8.2576  181.429    58.763   186.170    75.160   173.974    94.248   22.379  9.0117  18.984  8.7629  3.394264       12.56979 
1 1 1 -28 -18 45 o 11.330  5.5191  -21.2747   48.894   -78.5369   59.065   103.389    87.150   10.479  5.2629  16.622  7.9063  -6.143352      9.497732 
1 1 1 -28 -18 46 o 13.515  6.2152  26.954     46.794   35.631     55.625   5.9476     86.548   14.166  6.6046  13.735  6.8143  0.4307261      9.489699 
1 1 1 -28 -18 47 o 15.362  7.0569  60.756     60.104   21.371     68.185   197.998    127.281  13.680  6.6298  17.245  8.5021  -3.565239      10.78147 
1 1 1 -28 -18 48 o 12.522  6.0290  5.5516     54.175   5.3784     62.059   6.1066     111.066  12.826  6.2410  13.834  6.9813  -1.008685      9.364266 
1 1 1 -28 -18 49 o 12.757  6.0517  17.495     50.413   -20.9440   62.409   89.672     85.519   11.869  5.8703  15.433  7.4657  -3.563959      9.497157 
1 1 1 -28 -18 50 o 17.699  7.5290  105.426    56.590   44.030     70.316   218.307    95.344   13.865  6.7227  18.894  8.7535  -5.028920      11.03716 
1 1 1 -28 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -17 8  o 12.448  5.2705  21.545     27.514   -65.2810   65.855   39.907     30.284   11.349  5.6796  14.695  5.7848  -3.345735      8.106878 
1 1 1 -28 -17 9  o 17.210  7.2702  76.405     52.162   57.694     87.561   86.698     64.944   15.390  7.4712  17.123  7.6501  -1.733062      10.69317 
1 1 1 -28 -17 10 f 8.4463  4.2031  -55.5172   33.936   277.789    156.823  -71.8916   34.759   18.390  9.1321  8.0416  4.0386  10.34827       9.985240 
1 1 1 -28 -17 11 o 12.850  5.8327  17.274     39.479   -17.8090   90.709   25.472     43.850   13.700  6.8264  13.624  6.1693  0.7586384E-01  9.201072 
1 1 1 -28 -17 12 o 18.488  7.4909  87.930     52.278   145.219    109.235  70.910     59.540   17.822  8.5760  16.681  7.3964  1.141920       11.32493 
1 1 1 -28 -17 13 o 10.911  5.3266  -32.1421   46.248   54.677     91.598   -61.8473   53.579   15.677  7.6179  10.641  5.2930  5.036353       9.276244 
1 1 1 -28 -17 14 o 8.6281  4.3510  -93.2920   42.695   -119.2114  96.397   -86.9667   47.620   12.357  6.2633  9.3811  4.7132  2.975561       7.838567 
1 1 1 -28 -17 15 o 10.041  5.0463  -92.0607   54.778   -120.7177  93.075   -76.8742   67.756   12.221  6.1904  11.494  5.7532  0.7274141      8.451086 
1 1 1 -28 -17 16 o 14.291  6.8927  13.112     71.577   20.492     127.061  9.6810     86.630   15.443  7.7512  14.602  7.1623  0.8412886      10.55362 
1 1 1 -28 -17 17 o 13.421  6.4292  1.6241     59.829   -111.0551  121.444  37.736     68.751   13.573  6.8948  15.237  7.1797  -1.664454      9.954200 
1 1 1 -28 -17 18 o 9.5887  4.8539  -124.6906  56.627   -265.3512  103.697  -64.9234   67.595   ?       ?       11.850  5.9027  0.000000       5.902741 
1 1 1 -28 -17 19 o 16.946  7.5864  69.173     64.210   116.264    137.196  55.965     72.659   17.249  8.5615  16.157  7.5382  1.092100       11.40715 
1 1 1 -28 -17 20 o 15.941  7.3054  50.804     63.887   44.858     116.022  53.391     76.535   16.007  7.9327  16.078  7.5757  -0.7039261E-01 10.96899 
1 1 1 -28 -17 21 o 13.486  6.7593  -60.6420   94.962   -387.3628  205.661  27.892     107.058  ?       ?       15.600  7.7108  0.000000       7.710759 
1 1 1 -28 -17 22 o 16.034  7.8448  47.749     101.964  94.973     255.728  38.822     111.185  ?       ?       15.887  7.8537  0.000000       7.853725 
1 1 1 -28 -17 23 o 15.582  7.3142  41.937     70.160   262.358    263.146  25.069     72.796   ?       ?       14.941  7.1397  0.000000       7.139672 
1 1 1 -28 -17 24 f 15.249  7.1548  35.708     67.014   85.762     131.644  18.200     77.857   16.817  8.3536  14.817  7.1568  1.999346       11.00012 
1 1 1 -28 -17 25 o 15.144  7.1164  33.913     66.726   76.801     132.400  19.311     77.254   16.625  8.2776  14.820  7.1511  1.804036       10.93875 
1 1 1 -28 -17 26 o 12.341  6.0919  -43.0193   66.047   47.944     130.914  -74.0767   76.495   16.092  8.0462  12.252  6.1297  3.840235       10.11507 
1 1 1 -28 -17 27 o 24.025  9.0781  176.447    72.407   179.089    147.204  175.603    83.163   18.138  8.9789  22.084  9.2461  -3.946077      12.88840 
1 1 1 -28 -17 28 o 13.027  6.3548  -17.5754   65.487   137.626    130.700  -69.5987   75.671   17.631  8.6774  12.248  6.1231  5.382886       10.62025 
1 1 1 -28 -17 29 o 12.987  5.9903  11.949     43.923   -0.0758    55.783   31.568     71.251   13.091  6.2541  14.969  7.1282  -1.878112      9.482869 
1 1 1 -28 -17 30 o 16.008  6.7359  52.372     44.495   68.421     57.466   28.347     70.310   16.865  7.3795  14.763  7.0441  2.101178       10.20182 
1 1 1 -28 -17 31 o 12.167  5.7990  -6.2048    47.375   -7.3678    53.801   -2.1895    99.966   12.571  6.0418  14.492  7.2121  -1.920778      9.408350 
1 1 1 -28 -17 32 o 12.827  6.0627  4.9382     49.716   -10.7136   58.155   47.434     95.825   12.664  6.1337  15.491  7.5848  -2.827895      9.754544 
1 1 1 -28 -17 33 o 13.404  6.2686  16.164     50.731   59.571     59.037   -106.3572  99.187   15.988  7.2063  12.554  6.3624  3.433941       9.613034 
1 1 1 -28 -17 34 o 12.210  5.7471  2.4078     43.828   75.104     55.965   -112.8881  70.480   17.047  7.3724  10.817  5.4696  6.229633       9.179834 
1 1 1 -28 -17 35 o 21.620  7.6940  117.888    50.798   91.157     67.296   153.293    77.449   17.363  7.7703  20.230  8.7110  -2.867035      11.67301 
1 1 1 -28 -17 36 o 10.050  4.9493  -42.2545   42.745   -76.7668   54.476   13.035     68.951   10.212  5.1184  13.757  6.6674  -3.545879      8.405488 
1 1 1 -28 -17 37 o 19.921  7.9591  116.407    58.128   105.657    68.823   143.158    108.568  17.937  7.9530  17.302  8.3805  0.6352940      11.55347 
1 1 1 -28 -17 38 f 16.301  7.9454  101.262    101.767  71.236     289.038  105.511    108.729  ?       ?       16.265  7.9873  0.000000       7.987311 
1 1 1 -28 -17 39 o 15.070  7.4171  51.836     95.504   -443.6610  289.591  112.302    101.163  ?       ?       16.572  8.0420  0.000000       8.041981 
1 1 1 -28 -17 40 o 14.593  6.6308  41.768     51.203   30.013     66.285   59.159     80.626   14.176  6.7845  15.293  7.3611  -1.117316      10.01077 
1 1 1 -28 -17 41 o 15.164  6.7961  50.642     51.678   55.839     67.723   43.397     79.958   15.264  7.1716  14.782  7.1678  0.4819756      10.13949 
1 1 1 -28 -17 42 o 11.130  5.5053  -42.3009   54.946   -57.4276   65.274   -5.5201    101.784  11.460  5.7229  13.937  6.9872  -2.477039      9.031764 
1 1 1 -28 -17 43 f 14.462  6.7807  37.597     60.016   49.928     71.373   7.8324     110.890  15.042  7.1548  14.332  7.1995  0.7106094      10.15011 
1 1 1 -28 -17 44 o 16.332  7.3502  71.993     61.148   116.895    81.366   13.724     92.688   17.647  8.1445  14.222  7.0553  3.425347       10.77540 
1 1 1 -28 -17 45 o 17.268  7.5718  86.836     60.776   79.999     83.892   94.388     88.169   16.041  7.6648  16.438  7.8556  -0.3973293     10.97541 
1 1 1 -28 -17 46 f 10.391  5.1921  -65.6883   54.075   -15.4424   70.153   -139.2461  84.881   12.793  6.3083  ?       ?       0.000000       6.308257 
1 1 1 -28 -17 47 o 12.826  6.2672  -3.7794    64.472   -35.1874   75.860   77.912     122.343  12.465  6.2160  15.334  7.6836  -2.868992      9.883165 
1 1 1 -28 -17 48 o 17.817  7.9919  117.517    71.622   54.681     84.355   279.809    135.568  14.817  7.2246  18.473  9.0397  -3.655946      11.57198 
1 1 1 -28 -17 49 o 14.693  6.8172  52.434     58.127   61.250     77.540   41.124     87.827   14.823  7.1551  14.219  7.0201  0.6033506      10.02385 
1 1 1 -28 -17 50 o 12.118  5.8967  -0.1028    55.407   58.266     71.435   -88.2433   87.783   14.487  6.9624  11.573  5.8772  2.914676       9.111357 
1 1 1 -28 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -16 7  o 9.8769  4.5012  -0.4108    23.815   0.0000     0.0000   -0.4108    23.815   ?       ?       9.8769  4.5012  0.000000       4.501179 
1 1 1 -28 -16 8  o 9.4380  4.4917  -15.5553   28.208   27.236     66.223   -25.0401   31.178   14.329  6.8366  9.3480  4.5185  4.980679       8.194862 
1 1 1 -28 -16 9  o 13.254  6.2731  10.795     53.557   58.330     161.112  4.8895     56.786   15.658  7.9528  13.145  6.2881  2.512729       10.13842 
1 1 1 -28 -16 10 o 10.671  5.0535  -11.0191   34.861   -28.9221   82.290   -7.1033    38.486   13.305  6.6086  11.295  5.3371  2.010703       8.494614 
1 1 1 -28 -16 11 o 10.748  5.2061  -26.0716   41.910   7.4679     92.477   -34.7405   47.015   14.554  7.1888  10.926  5.3417  3.628321       8.956175 
1 1 1 -28 -16 12 o 10.793  5.2308  -27.1778   42.447   -113.3413  91.511   -3.5583    47.912   12.273  6.2080  12.392  5.8846  -0.1187210     8.553845 
1 1 1 -28 -16 13 f 14.818  6.6843  35.594     50.917   229.815    106.118  -22.4923   58.034   21.975  9.8014  12.388  6.0296  9.587413       11.50750 
1 1 1 -28 -16 14 o 12.645  6.0527  -7.7979    52.811   -82.2734   106.156  16.697     60.880   13.509  6.8181  14.170  6.7008  -0.6610537     9.559649 
1 1 1 -28 -16 15 o 10.398  5.2180  -92.1334   57.490   -111.6781  91.539   -79.4030   73.877   12.450  6.2893  12.004  6.0085  0.4455776      8.698128 
1 1 1 -28 -16 16 o 14.325  6.9359  4.8400     74.192   29.490     125.014  -8.5623    92.180   15.901  7.9376  14.545  7.1830  1.356017       10.70518 
1 1 1 -28 -16 17 o 18.740  7.8828  90.095     60.902   141.074    107.997  66.324     73.747   18.846  8.9162  16.834  7.7638  2.012030       11.82264 
1 1 1 -28 -16 18 o 13.559  6.3673  8.0490     53.264   -96.2728   106.722  42.655     61.466   13.501  6.8166  15.671  7.1757  -2.170115      9.897346 
1 1 1 -28 -16 19 o 17.675  7.7819  76.365     64.777   114.538    122.259  61.467     76.379   17.838  8.6975  16.683  7.7651  1.154898       11.65947 
1 1 1 -28 -16 20 o 14.546  6.7871  21.444     58.925   -175.8683  135.966  67.073     65.384   ?       ?       17.116  7.6596  0.000000       7.659557 
1 1 1 -28 -16 21 o 16.575  8.0264  57.284     99.442   164.056    205.889  24.799     113.567  17.697  8.9886  15.902  7.8748  1.794366       11.95023 
1 1 1 -28 -16 22 o 21.968  9.9446  226.851    113.845  455.699    235.255  156.871    130.092  19.973  10.089  18.761  9.1078  1.211842       13.59203 
1 1 1 -28 -16 23 o 15.699  7.2231  41.443     63.300   -116.8420  126.937  93.834     73.028   14.001  7.1062  18.468  8.1900  -4.466565      10.84316 
1 1 1 -28 -16 24 o 17.079  7.7517  67.722     69.722   -48.0815   139.541  106.251    80.490   15.152  7.6645  18.781  8.4443  -3.628795      11.40398 
1 1 1 -28 -16 25 o 19.483  8.5177  115.128    76.406   -325.8385  282.851  149.838    79.356   ?       ?       21.441  9.0074  0.000000       9.007407 
1 1 1 -28 -16 26 o 17.971  7.5449  75.644     55.620   16.678     80.498   129.512    76.940   14.999  7.2525  20.281  8.7068  -5.282862      11.33173 
1 1 1 -28 -16 27 o 28.617  8.4052  190.561    62.206   180.300    88.100   200.762    87.846   22.185  9.4142  23.572  9.6496  -1.387215      13.48116 
1 1 1 -28 -16 28 o 12.531  5.8641  1.0961     44.515   62.834     55.616   -108.9672  74.258   16.879  7.3245  11.464  5.7755  5.415087       9.327636 
1 1 1 -28 -16 29 o 15.142  6.7057  39.105     48.793   11.979     61.597   84.792     79.941   14.046  6.6709  17.437  8.0562  -3.390758      10.45961 
1 1 1 -28 -16 30 o 15.013  6.6816  38.065     49.025   40.761     60.636   32.975     83.309   15.343  7.0629  15.352  7.4121  -0.9074211E-02 10.23836 
1 1 1 -28 -16 31 o 27.111  8.7824  192.355    65.972   44.940     79.735   512.304    117.468  15.634  7.4711  38.034  11.640  -22.39962      13.83154 
1 1 1 -28 -16 32 o 11.904  5.7302  -15.8377   48.887   -10.7036   56.494   -31.1440   97.545   12.674  6.1152  13.950  6.9709  -1.276764      9.273026 
1 1 1 -28 -16 33 o 11.257  5.4916  -30.8443   48.932   -13.5389   55.078   -95.6594   106.593  12.414  6.0020  13.122  6.6445  -0.7081013     8.953943 
1 1 1 -28 -16 34 o 11.934  5.7025  -8.6267    46.431   7.1383     59.514   -33.1471   74.222   13.434  6.4293  12.847  6.3625  0.5875893      9.045264 
1 1 1 -28 -16 35 o 12.358  5.8980  -3.1827    49.352   -52.3239   65.532   61.209     75.015   11.798  5.8663  15.851  7.4781  -4.052292      9.504540 
1 1 1 -28 -16 36 o 15.431  6.9837  51.210     56.107   24.474     79.108   78.273     79.589   14.487  7.0486  16.378  7.7196  -1.891389      10.45346 
1 1 1 -28 -16 37 o 15.389  7.5651  54.703     98.370   136.534    281.805  43.348     104.973  ?       ?       15.147  7.5132  0.000000       7.513184 
1 1 1 -28 -16 38 o 14.461  7.1555  20.037     93.110   -321.5501  282.171  61.776     98.635   ?       ?       15.488  7.6058  0.000000       7.605822 
1 1 1 -28 -16 39 f 15.403  7.5800  60.209     99.629   -77.4970   290.298  78.594     106.072  ?       ?       15.795  7.7822  0.000000       7.782219 
1 1 1 -28 -16 40 o 27.122  8.7647  205.509    65.737   146.792    93.113   263.857    92.820   18.219  8.5115  24.436  9.9516  -6.217131      13.09502 
1 1 1 -28 -16 41 o 11.655  5.7010  -24.6801   53.766   -69.1064   78.618   14.355     73.693   12.029  6.0451  13.878  6.7636  -1.849089      9.071354 
1 1 1 -28 -16 42 o 12.551  6.1113  -10.0425   59.768   28.091     73.186   -86.3996   103.561  14.327  6.9247  12.798  6.4876  1.528703       9.488919 
1 1 1 -28 -16 43 o 22.034  8.4686  149.641    63.686   88.683     91.169   207.734    89.002   16.292  7.8382  21.703  9.3418  -5.411619      12.19451 
1 1 1 -28 -16 44 o 17.672  7.7404  93.156     63.362   125.483    89.203   60.236     90.017   17.732  8.2989  15.493  7.5336  2.239254       11.20840 
1 1 1 -28 -16 45 o 12.702  6.1592  -5.6261    59.028   110.818    82.239   -129.3631  84.775   17.457  8.1028  11.386  5.7818  6.071039       9.954126 
1 1 1 -28 -16 46 o 13.765  6.6176  17.915     64.670   39.299     77.255   -32.1568   118.215  14.743  7.1228  13.913  7.0398  0.8292913      10.01461 
1 1 1 -28 -16 47 o 16.914  7.6918  90.515     69.075   50.765     83.125   179.214    124.170  15.012  7.2858  17.402  8.5435  -2.390577      11.22831 
1 1 1 -28 -16 48 o 12.562  6.1172  -4.5760    59.911   -48.0095   83.791   40.852     85.694   12.487  6.2711  14.554  7.1356  -2.066758      9.499699 
1 1 1 -28 -16 49 o 15.188  6.9815  59.838     58.958   104.807    80.035   6.4807     87.182   16.499  7.7659  13.522  6.7301  2.977258       10.27632 
1 1 1 -28 -16 50 o 13.783  6.8070  31.371     82.837   31.371     82.837   0.0000     0.0000   13.783  6.8070  ?       ?       0.000000       6.807028 
1 1 1 -28 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -15 7  o 8.6967  4.1236  -14.7109   23.350   55.396     48.616   -35.7337   26.622   15.973  6.8897  8.0839  3.9662  7.889007       7.949739 
1 1 1 -28 -15 8  o 15.552  6.7834  48.832     48.213   129.027    82.805   7.7018     59.301   18.861  8.5146  13.486  6.4442  5.374514       10.67830 
1 1 1 -28 -15 9  o 20.219  8.4448  127.634    69.133   311.610    181.351  96.352     74.780   18.836  9.4262  17.811  8.0614  1.025791       12.40319 
1 1 1 -28 -15 10 o 15.797  6.5104  48.192     40.324   -79.6624   95.070   76.239     44.527   13.036  6.5635  18.511  7.0890  -5.475245      9.660910 
1 1 1 -28 -15 11 o 15.122  6.6133  39.972     46.096   -47.1046   96.648   65.613     52.446   13.762  6.8860  17.060  7.2525  -3.298358      10.00073 
1 1 1 -28 -15 12 o 30.020  7.6340  186.792    55.733   487.943    115.198  94.761     63.682   37.923  11.511  18.776  7.9869  19.14739       14.01027 
1 1 1 -28 -15 13 o 25.630  8.4062  160.614    60.363   189.957    115.406  149.564    70.824   20.128  9.4266  22.417  8.8395  -2.288950      12.92272 
1 1 1 -28 -15 14 f 13.416  6.3351  3.7873     54.062   -5.9450    100.430  7.7580     64.149   14.953  7.4049  14.124  6.7362  0.8289680      10.01044 
1 1 1 -28 -15 15 o 15.539  7.3993  31.958     76.777   51.389     124.131  19.918     97.709   16.550  8.2020  15.573  7.6319  0.9767342      11.20354 
1 1 1 -28 -15 16 o 17.472  8.0859  76.803     81.029   128.949    129.792  43.499     103.726  18.242  8.9093  16.325  7.9712  1.916761       11.95474 
1 1 1 -28 -15 17 o 15.982  7.1212  45.710     55.860   -26.0610   107.450  72.292     65.392   14.903  7.4261  17.604  7.7812  -2.701388      10.75612 
1 1 1 -28 -15 18 o 17.984  7.4772  71.465     53.852   -0.1506    107.964  95.184     62.133   15.479  7.6674  19.433  8.0517  -3.954270      11.11844 
1 1 1 -28 -15 19 o 21.449  8.4143  120.564    63.866   218.121    126.750  87.366     73.939   21.068  9.8705  18.334  8.1791  2.733728       12.81886 
1 1 1 -28 -15 20 o 21.729  9.3094  160.393    87.644   150.588    130.344  168.484    118.410  18.997  9.1968  19.940  9.4038  -0.9427891     13.15339 
1 1 1 -28 -15 21 o 16.078  7.8445  29.021     99.901   -30.9049   217.572  45.031     112.456  ?       ?       16.620  8.1536  0.000000       8.153617 
1 1 1 -28 -15 22 o 18.087  8.5817  95.978     101.458  59.200     216.234  106.361    114.890  ?       ?       18.182  8.7601  0.000000       8.760066 
1 1 1 -28 -15 23 o 20.137  7.6035  90.937     50.771   107.230    68.763   71.409     75.280   19.918  8.3771  17.475  7.9788  2.443424       11.56875 
1 1 1 -28 -15 24 o 16.368  7.0936  50.479     52.030   77.413     72.335   21.604     74.896   17.819  8.0092  15.270  7.2816  2.548566       10.82444 
1 1 1 -28 -15 25 o 12.088  5.8200  -22.0565   50.487   -33.8270   69.912   -9.2282    72.986   13.140  6.4427  14.081  6.8327  -0.9419489     9.391150 
1 1 1 -28 -15 26 o 16.712  7.2400  56.129     54.159   6.8254     75.871   107.355    77.336   14.708  7.0945  19.226  8.4821  -4.517972      11.05791 
1 1 1 -28 -15 27 o 17.174  7.1589  61.213     49.547   37.054     62.707   101.360    80.835   15.532  7.1618  18.655  8.4180  -3.122594      11.05231 
1 1 1 -28 -15 28 o 21.163  7.9092  107.688    54.645   53.727     70.808   187.156    85.928   16.398  7.5784  23.258  9.5349  -6.859201      12.17980 
1 1 1 -28 -15 29 o 12.946  5.9959  6.8711     44.678   25.225     53.439   -35.7485   81.431   14.515  6.6628  13.570  6.7108  0.9447136      9.456568 
1 1 1 -28 -15 30 o 50.019  6.0903  429.617    72.390   571.336    94.052   223.639    113.388  54.447  7.3033  21.561  9.8243  32.88614       12.24149 
1 1 1 -28 -15 31 o 21.927  8.5216  135.339    65.036   120.050    72.609   197.377    146.264  19.823  8.4826  18.746  9.2174  1.076418       12.52660 
1 1 1 -28 -15 32 o 11.882  5.8197  -35.2440   56.592   -26.8856   61.254   -83.9601   147.880  12.505  6.1103  ?       ?       0.000000       6.110268 
1 1 1 -28 -15 33 f 17.351  7.4165  72.363     55.391   91.217     66.428   29.342     100.344  18.089  7.9244  15.373  7.5732  2.716945       10.96123 
1 1 1 -28 -15 34 o 13.386  6.3916  4.9998     58.106   -27.8855   79.197   43.341     85.514   13.319  6.5923  15.488  7.4856  -2.168355      9.974573 
1 1 1 -28 -15 35 o 20.153  8.1492  117.265    61.740   146.035    87.137   88.261     87.491   19.378  8.7426  16.881  7.9978  2.496866       11.84895 
1 1 1 -28 -15 36 o 13.486  6.3974  12.199     56.333   89.668     80.780   -61.1439   78.599   16.991  7.9343  12.396  6.2037  4.594411       10.07167 
1 1 1 -28 -15 37 o 15.975  7.8119  72.265     100.750  135.746    297.921  64.068     107.058  ?       ?       15.748  7.7702  0.000000       7.770205 
1 1 1 -28 -15 38 o 15.697  7.7438  65.710     106.135  -108.3059  291.591  92.285     113.952  ?       ?       16.222  8.0065  0.000000       8.006460 
1 1 1 -28 -15 39 o 12.963  6.2386  1.4472     57.850   52.315     82.135   -48.6301   81.494   15.333  7.3923  12.668  6.3364  2.665028       9.736327 
1 1 1 -28 -15 40 o 9.2781  4.6956  -112.1326  52.798   -33.2591   76.104   -185.3224  73.310   12.749  6.3360  ?       ?       0.000000       6.336040 
1 1 1 -28 -15 41 o 11.269  5.5571  -39.3424   54.480   63.561     74.876   -155.1065  79.417   15.737  7.4386  ?       ?       0.000000       7.438626 
1 1 1 -28 -15 42 o 13.914  6.6820  18.962     65.538   58.592     83.007   -46.6385   106.795  15.503  7.4637  13.547  6.8376  1.955636       10.12221 
1 1 1 -28 -15 43 o 16.484  7.3802  71.335     60.780   96.668     88.460   48.679     83.653   16.754  7.9679  15.212  7.3651  1.542023       10.85043 
1 1 1 -28 -15 44 o 20.823  8.4414  138.564    66.428   66.508     93.438   212.199    94.456   15.769  7.6698  21.453  9.4222  -5.683508      12.14924 
1 1 1 -28 -15 45 o 11.502  5.6819  -41.2929   57.855   -42.8860   80.487   -39.5897   83.220   12.763  6.3706  12.949  6.4658  -0.1861801     9.076897 
1 1 1 -28 -15 46 o 16.851  7.7582  87.456     73.196   -11.5427   90.245   277.802    125.135  13.737  6.8388  20.398  9.6341  -6.661137      11.81460 
1 1 1 -28 -15 47 o ?       ?       -215.2073  111.337  0.0000     0.0000   -215.2073  111.337  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -15 48 o 16.048  7.3218  71.417     63.239   66.664     89.330   76.191     89.538   15.378  7.4842  15.655  7.5897  -0.2769575     10.65916 
1 1 1 -28 -15 49 o 15.006  7.2670  60.810     81.556   60.810     81.556   0.0000     0.0000   15.006  7.2670  ?       ?       0.000000       7.266992 
1 1 1 -28 -15 50 o 14.481  7.0299  53.239     77.523   53.239     77.523   0.0000     0.0000   14.481  7.0299  ?       ?       0.000000       7.029904 
1 1 1 -28 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -14 6  o 8.6868  4.1013  -13.3042   22.639   0.0000     0.0000   -13.3042   22.639   ?       ?       8.6868  4.1013  0.000000       4.101307 
1 1 1 -28 -14 7  o 10.881  5.0059  -0.6895    30.399   80.943     96.990   -9.5824    32.012   16.659  8.0317  10.465  4.9214  6.193229       9.419613 
1 1 1 -28 -14 8  o 15.190  6.8810  40.292     54.622   -29.1105   157.705  49.753     58.226   ?       ?       15.786  7.1319  0.000000       7.131947 
1 1 1 -28 -14 9  o 12.848  5.7837  14.413     37.893   121.733    90.994   -8.1025    41.678   18.634  8.6043  11.731  5.5466  6.902453       10.23714 
1 1 1 -28 -14 10 o 27.547  7.4203  155.041    50.709   219.196    108.281  137.018    57.392   21.832  9.8072  23.608  8.1959  -1.775955      12.78099 
1 1 1 -28 -14 11 o 29.742  7.7353  183.834    56.349   154.835    114.738  193.052    64.688   19.149  9.0974  28.321  8.6322  -9.172157      12.54103 
1 1 1 -28 -14 12 o 20.925  7.8448  104.037    53.843   98.601     104.986  105.978    62.719   17.829  8.5344  20.085  8.1800  -2.255671      11.82154 
1 1 1 -28 -14 13 o 23.516  8.4082  138.065    60.736   36.271     110.562  182.060    72.686   16.270  8.0025  25.499  9.1897  -9.229574      12.18564 
1 1 1 -28 -14 14 o 14.210  6.8564  -3.3336    71.008   111.322    104.038  -103.3216  97.156   18.507  8.7543  13.160  6.6271  5.347161       10.97980 
1 1 1 -28 -14 15 o 12.869  6.3756  -57.0840   74.740   -116.6479  118.132  -17.3272   96.512   13.923  7.0437  14.880  7.3487  -0.9576597     10.17929 
1 1 1 -28 -14 16 o 20.767  7.9457  101.407    55.908   56.600     135.657  110.575    61.362   17.099  8.4916  21.025  8.2478  -3.925552      11.83780 
1 1 1 -28 -14 17 o 27.767  8.1469  166.985    58.469   102.772    116.379  188.665    67.623   18.273  8.8072  27.903  8.8763  -9.629604      12.50417 
1 1 1 -28 -14 18 o 26.707  8.6195  168.312    63.593   206.709    121.253  153.743    74.690   21.495  9.9281  23.189  9.0986  -1.693298      13.46666 
1 1 1 -28 -14 19 o 16.272  7.2941  45.423     59.564   60.715     118.466  40.249     68.908   17.279  8.4542  16.139  7.4649  1.139130       11.27818 
1 1 1 -28 -14 20 o 18.467  8.7020  97.533     101.033  389.042    216.189  16.077     114.280  20.935  10.448  16.250  8.0198  4.685108       13.17140 
1 1 1 -28 -14 21 o 21.069  9.5430  166.628    105.013  -231.3093  230.596  270.747    117.953  ?       ?       24.728  10.699  0.000000       10.69878 
1 1 1 -28 -14 22 o 21.018  9.5599  168.320    106.758  138.447    223.503  177.150    121.517  ?       ?       20.523  9.6311  0.000000       9.631083 
1 1 1 -28 -14 23 o 23.587  7.9678  123.521    54.151   131.676    76.589   115.370    76.574   21.324  8.8958  20.223  8.6841  1.100500       12.43172 
1 1 1 -28 -14 24 o 27.936  8.2559  170.871    59.852   194.627    83.440   145.693    85.901   25.109  9.6818  21.345  9.1827  3.763670       13.34389 
1 1 1 -28 -14 25 o 28.396  8.2072  174.957    59.737   184.611    83.404   164.787    85.601   24.245  9.5822  22.520  9.4006  1.724674       13.42347 
1 1 1 -28 -14 26 o 20.112  7.8386  93.986     55.148   32.737     68.359   208.153    93.329   15.666  7.3099  24.275  9.9429  -8.609124      12.34082 
1 1 1 -28 -14 27 o 14.198  6.4819  19.182     49.664   44.936     59.720   -38.5715   89.431   16.092  7.2511  14.110  6.9872  1.982947       10.06972 
1 1 1 -28 -14 28 o 11.054  5.4138  -44.7649   48.945   -73.6219   58.149   25.361     90.648   11.087  5.5149  15.773  7.6443  -4.685532      9.426023 
1 1 1 -28 -14 29 o 17.262  7.3444  63.319     53.868   86.766     63.620   3.9335     101.247  18.635  7.9564  15.365  7.5766  3.270855       10.98679 
1 1 1 -28 -14 30 o 22.867  7.8551  119.780    52.651   185.267    62.921   -33.1530   96.155   28.111  8.5014  14.313  7.1148  13.79806       11.08577 
1 1 1 -28 -14 31 o 24.598  9.0343  172.243    70.728   121.228    79.322   370.145    156.232  19.621  8.6256  22.633  10.713  -3.012777      13.75358 
1 1 1 -28 -14 32 o 29.831  9.4282  242.149    76.391   165.004    86.159   525.671    165.173  21.410  9.2032  25.962  11.840  -4.552076      14.99648 
1 1 1 -28 -14 33 o 11.889  5.7744  -26.2042   52.465   -51.0626   61.520   40.095     100.469  11.804  5.8363  15.803  7.7435  -3.999476      9.696638 
1 1 1 -28 -14 34 o 12.377  6.0321  -24.1929   58.603   43.865     82.016   -95.1858   83.766   15.632  7.4986  12.223  6.1550  3.409070       9.701159 
1 1 1 -28 -14 35 o 16.723  7.5246  68.954     64.050   6.3240     86.758   143.980    94.956   14.477  7.1143  18.964  8.7683  -4.486620      11.29142 
1 1 1 -28 -14 36 f 12.775  6.2025  -12.5934   60.395   -47.2406   82.587   27.234     88.546   12.968  6.4700  14.970  7.3212  -2.001382      9.770417 
1 1 1 -28 -14 37 o 15.254  7.6610  27.099     125.171  350.760    311.688  -35.1361   136.677  ?       ?       14.551  7.3840  0.000000       7.383976 
1 1 1 -28 -14 38 o 15.906  7.9482  72.769     126.832  -2.5049    317.356  87.077     138.362  ?       ?       16.083  8.0743  0.000000       8.074305 
1 1 1 -28 -14 39 o 12.104  5.9472  -28.9690   60.536   6.0238     81.748   -71.4567   90.078   14.048  6.9039  12.677  6.3838  1.370439       9.403053 
1 1 1 -28 -14 40 o 13.150  6.3688  -0.8117    62.664   21.135     84.344   -27.8517   93.621   14.485  7.0972  13.586  6.7947  0.8998108      9.825432 
1 1 1 -28 -14 41 o 20.205  8.2556  126.464    64.145   29.451     85.856   249.034    96.505   14.723  7.2024  23.238  9.8567  -8.515234      12.20777 
1 1 1 -28 -14 42 o 14.040  6.6934  21.875     63.214   -5.0547    85.087   55.051     94.440   13.821  6.8392  15.476  7.5672  -1.655128      10.19983 
1 1 1 -28 -14 43 o 18.168  7.8767  98.657     64.199   10.151     89.953   190.538    91.652   14.325  7.0780  20.776  9.1963  -6.451561      11.60473 
1 1 1 -28 -14 44 o 15.704  7.1901  55.798     61.692   58.594     87.233   53.001     87.258   15.671  7.5709  15.498  7.5084  0.1731482      10.66275 
1 1 1 -28 -14 45 o 12.696  6.1446  -7.7160    58.091   -9.4978    82.958   -6.0017    81.371   13.698  6.7739  13.737  6.7772  -0.3825188E-01 9.582108 
1 1 1 -28 -14 46 o 14.991  7.1153  42.300     69.876   80.757     83.595   -46.8820   127.302  16.382  7.7777  14.078  7.1423  2.303864       10.55964 
1 1 1 -28 -14 47 o 15.550  7.8565  70.699     143.071  0.0000     0.0000   70.699     143.071  ?       ?       15.550  7.8565  0.000000       7.856474 
1 1 1 -28 -14 48 o 16.657  7.9920  107.551    93.267   107.551    93.267   0.0000     0.0000   16.657  7.9920  ?       ?       0.000000       7.992020 
1 1 1 -28 -14 49 o 11.852  5.9345  -52.4248   72.357   -52.4248   72.357   0.0000     0.0000   11.852  5.9345  ?       ?       0.000000       5.934462 
1 1 1 -28 -14 50 o ?       ?       135.510    313.461  135.510    313.461  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -13 6  o 12.977  5.3991  23.213     28.105   -45.5271   60.290   42.299     31.768   11.822  5.8327  15.382  5.9620  -3.560438      8.340647 
1 1 1 -28 -13 7  f 24.354  7.8006  134.541    52.158   143.998    81.632   128.017    67.803   20.457  8.8755  20.875  8.5038  -0.4183464     12.29182 
1 1 1 -28 -13 8  o 15.430  7.0206  39.983     57.647   -1.7123    163.567  45.897     61.599   15.885  8.0628  15.811  7.2185  0.7401657E-01  10.82200 
1 1 1 -28 -13 9  o 29.761  6.9039  165.956    48.890   152.979    104.561  169.587    55.308   19.645  9.1245  28.322  7.8001  -8.676840      12.00407 
1 1 1 -28 -13 10 o 16.522  6.9218  52.874     46.651   55.748     99.955   52.074     52.748   16.658  8.0618  16.393  7.1235  0.2652874      10.75808 
1 1 1 -28 -13 11 f 22.588  7.8574  115.660    52.761   -10.2600   103.970  159.333    61.231   15.192  7.5251  25.865  8.4656  -10.67284      11.32663 
1 1 1 -28 -13 12 o 21.460  8.0315  109.329    56.387   198.868    104.111  72.161     67.077   22.310  9.8419  17.735  7.8578  4.575001       12.59399 
1 1 1 -28 -13 13 o 14.406  6.6621  16.928     54.854   79.443     105.756  -6.0807    64.159   17.701  8.4974  13.863  6.6453  3.837965       10.78733 
1 1 1 -28 -13 14 o 13.940  6.6702  -5.0995    64.005   5.3172     120.640  -9.1802    75.508   16.131  8.0104  14.406  6.9805  1.725547       10.62519 
1 1 1 -28 -13 15 f 20.640  8.7711  120.166    76.658   101.438    136.042  128.878    92.792   18.238  8.9517  20.131  9.0577  -1.892677      12.73476 
1 1 1 -28 -13 16 o 26.180  8.3167  153.036    59.382   218.698    122.373  132.813    67.914   22.204  10.152  22.584  8.7272  -0.3802414     13.38728 
1 1 1 -28 -13 17 o 18.947  7.6398  77.467     54.095   -10.6275   111.966  104.292    61.785   15.795  7.8212  20.794  8.2381  -4.998878      11.35947 
1 1 1 -28 -13 18 o 33.095  8.9167  244.643    73.215   447.896    217.082  218.556    77.771   22.216  10.981  29.031  9.5426  -6.814856      14.54774 
1 1 1 -28 -13 19 o 16.375  7.0050  46.002     49.485   32.969     74.175   56.455     66.428   16.123  7.5529  17.190  7.7046  -1.067293      10.78920 
1 1 1 -28 -13 20 o 20.618  9.3145  140.559    99.296   57.315     208.595  164.949    112.910  17.791  9.0374  20.935  9.6375  -3.144695      13.21196 
1 1 1 -28 -13 21 o 13.002  6.5179  -101.1589  88.483   -266.3144  196.950  -59.3938   99.041   ?       ?       14.392  7.1651  0.000000       7.165070 
1 1 1 -28 -13 22 o 17.116  7.3144  55.195     53.854   46.389     76.949   63.649     75.397   16.766  7.8006  17.578  8.0100  -0.8118725     11.18076 
1 1 1 -28 -13 23 o 35.817  8.0261  254.509    68.023   297.988    94.791   208.346    97.673   31.979  10.536  24.394  10.100  7.585815       14.59534 
1 1 1 -28 -13 24 o 10.423  5.2150  -93.5982   55.408   -92.7432   75.625   -94.5890   81.412   12.268  6.1314  12.639  6.3237  -0.3713961     8.808096 
1 1 1 -28 -13 25 o 24.680  8.0035  132.298    54.779   206.190    66.510   -23.5379   96.588   30.558  8.6045  14.987  7.3924  15.57058       11.34398 
1 1 1 -28 -13 26 o 26.181  8.4346  156.846    60.915   116.537    76.459   226.889    100.790  20.408  8.7181  24.804  10.264  -4.396343      13.46699 
1 1 1 -28 -13 27 o 14.742  6.6657  25.025     50.977   19.833     60.673   37.486     94.004   14.878  6.9236  16.454  7.9266  -1.575850      10.52459 
1 1 1 -28 -13 28 o 15.025  6.7902  29.068     52.824   47.940     63.546   -13.1383   95.029   16.398  7.4258  15.014  7.3915  1.383928       10.47743 
1 1 1 -28 -13 29 o 24.004  8.3964  139.489    60.289   115.921    76.728   177.519    97.467   20.012  8.6435  21.843  9.5829  -1.831242      12.90516 
1 1 1 -28 -13 30 o 25.581  8.9687  172.951    68.806   196.567    75.601   59.011     166.060  26.369  9.3859  17.016  8.5808  9.352728       12.71716 
1 1 1 -28 -13 31 o 20.968  8.6441  127.089    71.112   134.999    78.344   90.086     169.455  20.797  8.8530  17.253  8.6966  3.543379       12.40993 
1 1 1 -28 -13 32 o 21.883  8.8236  142.899    72.159   142.304    80.565   145.311    162.250  20.865  8.9322  17.880  8.9430  2.985216       12.63964 
1 1 1 -28 -13 33 o 16.192  7.1736  52.437     55.894   77.962     67.330   -4.1516    100.253  17.583  7.8274  14.907  7.3849  2.676209       10.76130 
1 1 1 -28 -13 34 o 18.292  7.9132  89.370     64.518   141.015    87.704   28.462     95.246   19.749  8.8521  15.462  7.5687  4.286696       11.64666 
1 1 1 -28 -13 35 o 14.549  6.8638  24.486     63.178   -46.3365   84.286   115.302    95.445   13.224  6.5877  18.009  8.4777  -4.784517      10.73632 
1 1 1 -28 -13 36 o 13.880  6.6596  9.2711     64.770   56.695     85.051   -56.2049   99.936   15.962  7.6514  13.570  6.8192  2.391981       10.24916 
1 1 1 -28 -13 37 o 15.897  7.9416  58.499     126.255  224.172    310.994  25.805     138.152  ?       ?       15.446  7.7935  0.000000       7.793548 
1 1 1 -28 -13 38 o 14.772  7.4711  -13.9746   132.296  388.338    312.710  -101.6783  146.005  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -13 39 o 12.221  6.0235  -33.4976   63.714   -47.4971   83.005   -13.4186   99.408   12.891  6.4399  14.128  7.0564  -1.237353      9.553288 
1 1 1 -28 -13 40 o 11.698  5.8217  -55.5556   65.172   -104.1979  83.603   19.792     104.052  11.838  5.9832  14.835  7.3786  -2.996679      9.499617 
1 1 1 -28 -13 41 f 11.202  5.6049  -72.1064   63.994   -111.0525  80.852   -6.7905    104.705  11.558  5.8453  14.318  7.1645  -2.759748      9.246463 
1 1 1 -28 -13 42 o 12.645  6.2116  -22.6467   65.936   26.573     83.814   -102.5792  106.809  14.702  7.1757  12.891  6.5403  1.810551       9.709077 
1 1 1 -28 -13 43 o 14.576  6.8371  33.034     61.115   -44.5244   85.951   112.344    86.916   13.060  6.5288  17.659  8.2409  -4.598746      10.51369 
1 1 1 -28 -13 44 o 17.881  7.8343  92.508     64.954   143.930    91.180   39.526     92.554   18.834  8.6667  15.233  7.4572  3.601827       11.43338 
1 1 1 -28 -13 45 o 10.812  5.3865  -64.2840   56.401   -37.6001   73.332   -102.9277  88.248   12.663  6.2807  12.131  6.1326  0.5318003      8.778193 
1 1 1 -28 -13 46 o 15.942  7.6002  65.284     81.491   -2.3479    93.264   283.577    167.555  14.163  7.0348  18.379  9.1769  -4.215850      11.56306 
1 1 1 -28 -13 47 o 14.027  6.9459  1.5762     88.305   1.5762     88.305   0.0000     0.0000   14.027  6.9459  ?       ?       0.000000       6.945923 
1 1 1 -28 -13 48 o 38.504  11.811  584.474    120.855  584.474    120.855  0.0000     0.0000   38.504  11.811  ?       ?       0.000000       11.81061 
1 1 1 -28 -13 49 o 14.081  6.9331  23.137     83.743   23.137     83.743   0.0000     0.0000   14.081  6.9331  ?       ?       0.000000       6.933138 
1 1 1 -28 -13 50 o 13.007  6.5590  -29.0614   96.995   -32.9976   302.232  -28.6094   102.412  ?       ?       13.135  6.6371  0.000000       6.637135 
1 1 1 -28 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -12 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -12 5  o 14.311  5.7521  33.228     30.560   0.0000     0.0000   33.228     30.560   ?       ?       14.311  5.7521  0.000000       5.752118 
1 1 1 -28 -12 6  f 8.2321  3.9899  -27.7333   24.704   1.4250     57.593   -34.3078   27.348   13.466  6.4114  8.3860  4.0943  5.080395       7.607234 
1 1 1 -28 -12 7  o 19.913  7.9788  99.948     58.600   155.524    127.166  84.964     66.028   18.811  9.1010  18.237  7.9470  0.5741444      12.08232 
1 1 1 -28 -12 8  o 24.019  7.1149  114.494    44.410   119.140    97.924   113.292    49.829   18.848  8.7795  22.731  7.6434  -3.882769      11.64044 
1 1 1 -28 -12 9  o 12.395  5.7286  1.5103     40.465   65.095     84.109   -17.6392   46.158   17.128  8.0299  11.899  5.6858  5.229108       9.839104 
1 1 1 -28 -12 10 o 20.046  7.6273  89.423     51.337   -39.5968   101.505  133.770    59.510   14.628  7.2775  23.618  8.3359  -8.990558      11.06565 
1 1 1 -28 -12 11 o 14.097  6.4346  16.584     48.911   -73.8259   95.397   48.826     56.969   13.763  6.8797  16.462  7.2704  -2.699606      10.00947 
1 1 1 -28 -12 12 o 13.565  6.2966  5.9285     49.670   -156.5793  101.416  57.210     56.971   12.761  6.4638  17.129  7.4230  -4.367245      9.842865 
1 1 1 -28 -12 13 o 17.179  7.2170  56.246     50.945   -21.3805   109.248  77.817     57.590   15.494  7.6818  18.796  7.7669  -3.302166      10.92401 
1 1 1 -28 -12 14 f 12.339  6.0656  -52.9860   63.247   104.571    122.464  -110.2975  73.860   18.697  9.0171  11.790  5.9166  6.906589       10.78494 
1 1 1 -28 -12 15 o 15.658  7.3659  22.393     71.818   126.444    138.307  -16.0207   84.036   19.123  9.3079  14.813  7.2200  4.309854       11.77994 
1 1 1 -28 -12 16 o 21.558  8.2595  108.652    60.461   109.475    215.991  108.582    62.978   18.456  9.3572  21.296  8.3552  -2.839514      12.54461 
1 1 1 -28 -12 17 o 23.117  7.4630  106.685    47.670   160.533    71.786   64.209     63.756   24.992  9.1133  17.845  7.7916  7.146770       11.99006 
1 1 1 -28 -12 18 o 13.597  6.2107  8.7217     45.667   103.468    65.709   -79.7963   63.513   20.712  8.3960  11.678  5.8012  9.034019       10.20518 
1 1 1 -28 -12 19 o 13.294  6.2859  -8.5997    53.548   8.0427     66.437   -39.4561   90.464   14.908  7.0347  14.587  7.1872  0.3205004      10.05696 
1 1 1 -28 -12 20 o 19.914  9.0259  113.578    94.118   282.561    209.245  70.718     105.380  20.671  10.311  18.094  8.6307  2.576687       13.44604 
1 1 1 -28 -12 21 o 16.318  7.8523  20.750     91.596   138.639    206.009  -8.2979    102.260  18.931  9.5479  15.823  7.7651  3.108250       12.30684 
1 1 1 -28 -12 22 o 30.719  8.3468  196.589    63.835   106.528    87.768   297.737    93.014   19.759  8.8559  33.120  10.395  -13.36144      13.65580 
1 1 1 -28 -12 23 o 15.400  6.9984  27.220     57.051   34.378     74.286   16.927     89.078   16.331  7.6203  16.082  7.7400  0.2488670      10.86174 
1 1 1 -28 -12 24 o 14.887  6.7211  23.374     51.604   -28.3517   62.565   133.452    91.270   13.153  6.3685  20.894  9.2163  -7.741179      11.20259 
1 1 1 -28 -12 25 o 12.885  6.0708  -7.8114    49.126   7.9539     58.311   -46.3697   91.192   14.361  6.7175  14.354  7.0987  0.7058144E-02  9.773241 
1 1 1 -28 -12 26 o 22.480  8.0999  114.362    56.465   143.857    68.774   53.360     98.908   23.637  8.8652  17.263  8.2688  6.373531       12.12295 
1 1 1 -28 -12 27 o 11.401  5.5448  -38.9947   48.823   -52.3058   57.814   -5.8999    91.160   11.841  5.8166  15.270  7.4598  -3.429275      9.459417 
1 1 1 -28 -12 28 o 16.270  7.1569  45.381     54.683   43.031     66.769   50.168     95.297   16.311  7.4725  16.954  8.1196  -0.6433372     11.03473 
1 1 1 -28 -12 29 o 16.464  7.1704  49.259     53.685   60.290     63.571   21.835     100.238  17.194  7.6325  16.098  7.8549  1.096210       10.95233 
1 1 1 -28 -12 30 o 26.611  9.4844  199.737    77.218   207.944    87.241   170.049    165.929  25.278  9.8571  18.810  9.3495  6.468801       13.58589 
1 1 1 -28 -12 31 o 14.718  7.0703  7.6247     73.485   26.076     81.584   -71.7077   169.169  15.622  7.4898  ?       ?       0.000000       7.489822 
1 1 1 -28 -12 32 o 37.314  10.401  385.301    97.697   331.355    114.535  529.381    187.180  27.653  11.128  24.229  11.542  3.424099       16.03290 
1 1 1 -28 -12 33 o 14.978  7.0446  25.753     65.632   15.463     86.032   40.078     101.510  15.164  7.3719  16.104  7.8683  -0.9401903     10.78217 
1 1 1 -28 -12 34 o 14.260  6.8049  11.237     65.664   52.610     83.542   -55.6392   106.214  16.213  7.7199  14.082  7.0703  2.131551       10.46831 
1 1 1 -28 -12 35 o 31.049  9.3522  256.292    76.259   191.472    101.305  341.054    115.845  20.993  9.4530  26.611  11.007  -5.617880      14.50934 
1 1 1 -28 -12 36 o 13.836  7.0016  -80.6449   117.246  33.299     297.512  -101.5945  127.570  ?       ?       13.866  7.0459  0.000000       7.045859 
1 1 1 -28 -12 37 o ?       ?       -132.1813  136.462  0.0000     0.0000   -132.1813  136.462  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -12 38 o 15.765  7.8812  50.445     125.317  -141.5985  317.818  85.800     136.366  ?       ?       16.330  8.1721  0.000000       8.172117 
1 1 1 -28 -12 39 o 16.356  7.4752  66.418     66.275   70.489     84.164   59.774     107.522  16.262  7.7448  15.841  7.8108  0.4215040      10.99952 
1 1 1 -28 -12 40 o 12.211  6.0347  -38.6854   65.501   -34.3221   84.346   -45.3146   103.967  13.263  6.6045  13.719  6.9019  -0.4558907     9.552794 
1 1 1 -28 -12 41 o 13.913  6.7206  10.838     68.699   -12.0646   88.739   45.097     108.533  13.898  6.8961  15.459  7.6629  -1.560659      10.30909 
1 1 1 -28 -12 42 o 13.014  6.3159  -7.2584    62.457   39.945     76.363   -102.6417  108.551  15.115  7.2464  13.011  6.6002  2.103832       9.801682 
1 1 1 -28 -12 43 o 20.465  8.4918  134.580    69.258   75.774     94.525   202.740    101.766  16.290  7.8724  20.577  9.3492  -4.287004      12.22219 
1 1 1 -28 -12 44 o 44.313  7.5575  401.422    78.344   217.329    104.629  636.363    118.199  21.020  9.5229  47.123  10.595  -26.10291      14.24557 
1 1 1 -28 -12 45 o 13.667  6.7201  -8.8757    77.781   -45.0616   85.222   171.619    190.334  13.098  6.5408  16.831  8.5581  -3.732881      10.77139 
1 1 1 -28 -12 46 o 13.323  6.6438  -34.6608   86.629   -34.6608   86.629   0.0000     0.0000   13.323  6.6438  ?       ?       0.000000       6.643763 
1 1 1 -28 -12 47 o 14.344  7.0282  16.660     82.733   16.660     82.733   0.0000     0.0000   14.344  7.0282  ?       ?       0.000000       7.028154 
1 1 1 -28 -12 48 o 12.033  6.0210  -57.7183   73.917   -57.7183   73.917   0.0000     0.0000   12.033  6.0210  ?       ?       0.000000       6.020951 
1 1 1 -28 -12 49 o 14.869  6.9603  49.098     62.794   56.167     86.311   41.149     91.527   15.044  7.3294  14.649  7.2199  0.3952236      10.28816 
1 1 1 -28 -12 50 o 14.626  7.3385  56.122     113.386  175.395    307.209  37.311     122.000  ?       ?       14.349  7.2500  0.000000       7.250022 
1 1 1 -28 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -11 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -11 4  o 14.640  6.2147  34.549     38.412   0.0000     0.0000   34.549     38.412   ?       ?       14.640  6.2147  0.000000       6.214650 
1 1 1 -28 -11 5  o 12.726  5.3544  19.847     28.110   86.172     59.164   0.5111     31.946   18.668  7.8058  11.315  5.1781  7.352968       9.367140 
1 1 1 -28 -11 6  o 20.021  7.3552  87.035     46.885   33.853     77.304   117.979    58.968   15.703  7.4624  21.714  8.1955  -6.010982      11.08397 
1 1 1 -28 -11 7  o 10.818  5.1209  -15.4672   35.725   -20.2150   111.766  -14.9269   37.703   15.224  7.5844  11.101  5.2567  4.123109       9.227997 
1 1 1 -28 -11 8  o 10.042  4.8447  -29.7118   35.421   -65.9916   73.591   -18.7726   40.409   12.613  6.2621  11.261  5.3640  1.351986       8.245380 
1 1 1 -28 -11 9  f 23.610  7.8734  121.495    52.874   93.914     103.772  131.166    61.449   18.305  8.6833  23.205  8.4362  -4.899548      12.10658 
1 1 1 -28 -11 10 o 16.128  6.9829  43.673     50.323   -85.9592   99.659   88.038     58.302   13.831  6.9311  19.587  7.9195  -5.755666      10.52421 
1 1 1 -28 -11 11 o 17.460  7.1415  58.328     48.063   249.480    103.098  5.2492     54.328   26.307  10.568  13.930  6.5057  12.37631       12.41011 
1 1 1 -28 -11 12 o 17.729  7.3711  61.506     52.332   54.194     128.036  62.972     57.340   17.576  8.6383  17.760  7.5673  -0.1837311     11.48409 
1 1 1 -28 -11 13 o 19.061  8.3462  86.309     73.617   26.502     138.092  110.055    87.012   17.220  8.5543  19.933  8.8839  -2.712486      12.33291 
1 1 1 -28 -11 14 o 16.628  7.8199  36.200     80.835   0.0000     0.0000   36.200     80.835   ?       ?       16.628  7.8199  0.000000       7.819921 
1 1 1 -28 -11 15 o 33.056  6.5095  185.097    50.353   167.075    77.120   198.488    66.478   24.947  9.3816  30.414  8.6160  -5.467176      12.73772 
1 1 1 -28 -11 16 o 16.960  6.9327  50.077     45.261   129.432    70.029   -6.8514    59.314   22.695  8.8364  13.887  6.5810  8.807768       11.01777 
1 1 1 -28 -11 17 o 33.002  7.5441  202.415    59.094   148.355    84.350   254.524    82.813   22.742  9.3986  32.265  9.7520  -9.523222      13.54383 
1 1 1 -28 -11 18 o 27.317  8.1297  153.596    57.881   159.204    81.760   147.963    81.953   23.852  9.4681  22.988  9.3550  0.8641205      13.31022 
1 1 1 -28 -11 19 o 17.399  8.1692  48.159     87.629   -153.1812  196.415  98.193     97.913   ?       ?       19.406  8.9484  0.000000       8.948416 
1 1 1 -28 -11 20 o 20.099  9.0838  111.924    94.544   176.789    209.922  95.419     105.892  19.682  9.8894  19.178  8.9969  0.5036945      13.36951 
1 1 1 -28 -11 21 o 23.379  9.2637  147.734    78.137   -231.4940  208.957  209.381    84.249   ?       ?       27.632  9.9005  0.000000       9.900489 
1 1 1 -28 -11 22 o 32.130  8.3151  209.388    65.324   237.162    91.768   180.857    93.010   28.465  10.315  24.024  9.8928  4.441694       14.29248 
1 1 1 -28 -11 23 o 20.867  7.8814  93.418     54.559   123.840    67.915   38.056     91.617   22.430  8.7107  17.012  8.0960  5.417797       11.89211 
1 1 1 -28 -11 24 o 28.087  8.9668  183.325    68.964   169.905    76.559   241.072    158.812  25.274  9.3782  21.658  10.401  3.616562       14.00480 
1 1 1 -28 -11 25 o 15.982  7.0952  36.937     54.950   59.650     68.876   -2.8311    91.140   17.599  7.8696  15.605  7.5865  1.994406       10.93096 
1 1 1 -28 -11 26 o 14.425  6.8230  1.9550     63.189   -34.8787   83.471   51.399     96.710   14.312  7.0220  17.351  8.2740  -3.039442      10.85211 
1 1 1 -28 -11 27 o 19.880  8.3534  96.814     68.271   177.793    93.743   5.3544     99.625   23.167  9.7643  15.964  7.7987  7.203090       12.49642 
1 1 1 -28 -11 28 o 22.508  8.6408  128.152    66.256   139.124    85.993   112.124    103.938  21.353  9.1868  19.221  8.9837  2.132404       12.84934 
1 1 1 -28 -11 29 o 14.873  6.9542  16.576     62.374   -25.5769   80.794   78.761     98.132   14.245  6.9724  17.967  8.4998  -3.721742      10.99373 
1 1 1 -28 -11 30 o 19.616  8.8001  114.738    86.883   88.143     99.417   200.710    178.749  18.144  8.5748  19.281  9.6031  -1.137299      12.87433 
1 1 1 -28 -11 31 o 11.754  5.8838  -93.9894   70.922   -111.3317  79.674   -27.8046   155.648  12.049  6.0592  16.059  8.1205  -4.009405      10.13198 
1 1 1 -28 -11 32 o 15.398  7.1820  30.466     65.887   54.599     84.641   -6.6437    104.960  16.693  7.8961  15.309  7.5793  1.383573       10.94505 
1 1 1 -28 -11 33 o 34.241  8.9874  274.640    75.614   311.967    102.402  229.888    112.126  29.201  10.844  22.485  10.049  6.715357       14.78396 
1 1 1 -28 -11 34 o 19.331  8.3558  107.684    71.811   108.593    96.375   106.551    107.674  18.235  8.5636  17.886  8.5831  0.3485889      12.12457 
1 1 1 -28 -11 35 o 16.331  7.4820  56.481     66.946   45.494     88.373   71.277     102.555  15.955  7.6862  16.738  8.1167  -0.7833757     11.17853 
1 1 1 -28 -11 36 o 14.956  7.5059  -13.2970   119.053  -123.3273  301.130  7.0878     129.613  ?       ?       15.432  7.7564  0.000000       7.756402 
1 1 1 -28 -11 37 o 14.394  7.2646  -44.9328   120.517  348.845    305.870  -117.2999  131.124  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -11 38 o 12.955  6.3947  -30.6870   72.763   3.6543     87.140   -109.7757  132.241  14.408  7.0899  ?       ?       0.000000       7.089933 
1 1 1 -28 -11 39 o 13.010  6.3687  -17.6444   67.467   -18.6654   88.075   -16.1946   104.954  13.835  6.8658  14.349  7.1789  -0.5132790     9.933586 
1 1 1 -28 -11 40 o 15.186  7.1965  40.944     70.933   76.909     90.680   -15.7616   113.861  16.448  7.8885  14.506  7.2879  1.942173       10.73975 
1 1 1 -28 -11 41 o 19.388  8.4372  125.995    74.211   160.688    96.723   76.344     115.711  19.291  8.8949  16.195  8.0070  3.095995       11.96798 
1 1 1 -28 -11 42 o 18.683  8.9176  171.325    112.900  -341.4591  319.993  244.234    120.659  ?       ?       20.495  9.6112  0.000000       9.611176 
1 1 1 -28 -11 43 o 12.779  6.2086  -13.1040   60.774   29.320     78.818   -75.3131   95.443   14.881  7.1909  12.992  6.5457  1.889443       9.723920 
1 1 1 -28 -11 44 o 28.030  9.3300  228.486    74.260   110.813    100.402  370.602    110.338  17.420  8.3404  28.842  11.130  -11.42276      13.90828 
1 1 1 -28 -11 45 o 14.692  7.2404  13.358     91.973   13.358     91.973   0.0000     0.0000   14.692  7.2404  ?       ?       0.000000       7.240360 
1 1 1 -28 -11 46 o 21.718  9.5717  216.906    98.245   216.906    98.245   0.0000     0.0000   21.718  9.5717  ?       ?       0.000000       9.571677 
1 1 1 -28 -11 47 o 12.069  6.0270  -58.4555   72.391   -58.4555   72.391   0.0000     0.0000   12.069  6.0270  ?       ?       0.000000       6.026973 
1 1 1 -28 -11 48 o 15.165  7.1016  49.500     65.472   142.037    84.822   -86.8959   102.980  18.734  8.5211  12.814  6.4928  5.920169       10.71287 
1 1 1 -28 -11 49 o 14.937  6.9571  49.839     61.470   -26.5404   87.369   124.709    86.501   13.094  6.5510  17.417  8.1583  -4.323615      10.46301 
1 1 1 -28 -11 50 o 13.638  6.8818  -4.3275    107.824  -321.2798  304.597  41.079     115.289  ?       ?       14.399  7.2468  0.000000       7.246779 
1 1 1 -28 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -10 4  f 11.436  5.0196  8.7681     26.769   98.610     69.382   -6.9446    29.016   19.038  8.2212  10.386  4.8178  8.652595       9.528932 
1 1 1 -28 -10 5  o 20.824  6.4562  80.517     36.005   132.247    75.927   65.511     40.895   21.019  8.8195  18.168  6.8318  2.851467       11.15600 
1 1 1 -28 -10 6  o 8.8625  4.3673  -48.9948   33.451   -263.2199  95.626   -19.1249   35.707   ?       ?       10.635  5.0591  0.000000       5.059074 
1 1 1 -28 -10 7  o 11.669  5.3846  -2.7955    35.543   44.362     70.120   -19.1014   41.232   16.368  7.5565  11.376  5.4186  4.992274       9.298450 
1 1 1 -28 -10 8  f 12.515  5.8423  -4.0583    43.742   -20.3403   95.023   0.3195     49.272   15.014  7.3912  13.247  6.1897  1.766285       9.640623 
1 1 1 -28 -10 9  o 16.234  6.7578  44.789     44.062   4.6735     97.326   55.131     49.417   15.826  7.7261  17.160  7.1511  -1.334548      10.52762 
1 1 1 -28 -10 10 o 15.887  6.9267  38.519     50.225   269.420    190.940  21.355     52.058   20.745  10.262  14.780  6.7045  5.964643       12.25794 
1 1 1 -28 -10 11 o 15.804  6.8471  37.248     48.443   28.937     104.777  39.507     54.633   16.853  8.1796  16.141  7.1246  0.7119446      10.84738 
1 1 1 -28 -10 12 o 30.529  8.6340  200.110    66.815   142.396    210.276  206.591    70.467   19.101  9.6353  30.311  8.9581  -11.20970      13.15626 
1 1 1 -28 -10 13 o 11.674  5.6267  -32.5214   47.517   -55.4849   62.051   0.0357     73.885   12.313  6.0440  15.076  7.2011  -2.763137      9.401361 
1 1 1 -28 -10 14 o 14.658  6.7034  14.956     53.403   -82.1178   69.381   156.066    83.651   12.239  6.0771  23.476  9.4883  -11.23711      11.26761 
1 1 1 -28 -10 15 o 14.953  6.6370  23.930     48.062   -18.4142   70.874   59.981     65.395   14.303  6.8888  17.870  7.8446  -3.566832      10.43996 
1 1 1 -28 -10 16 o 11.674  5.5936  -28.0536   45.353   -119.0552  67.862   45.396     60.968   11.275  5.6599  16.921  7.4946  -5.645480      9.391663 
1 1 1 -28 -10 17 o 14.509  6.6522  11.598     53.059   22.424     69.974   -3.0456    81.385   15.973  7.4339  15.464  7.4316  0.5087919      10.51152 
1 1 1 -28 -10 18 o 55.488  5.6032  476.478    74.407   419.103    105.311  533.670    105.144  41.818  10.417  51.910  8.6523  -10.09223      13.54202 
1 1 1 -28 -10 19 o 43.785  11.095  490.734    118.015  494.823    245.422  489.504    134.598  23.304  11.547  37.944  12.558  -14.63912      17.05949 
1 1 1 -28 -10 20 o 30.415  10.977  285.597    103.768  160.078    227.509  318.568    116.603  19.670  9.9344  30.133  11.488  -10.46294      15.18762 
1 1 1 -28 -10 21 o 31.256  8.4716  200.351    65.854   198.268    92.015   202.538    94.290   25.762  10.102  25.755  10.185  0.7499695E-02  14.34528 
1 1 1 -28 -10 22 o 18.457  7.7668  67.149     59.158   26.315     83.369   108.563    83.959   16.573  7.8385  20.480  8.9418  -3.907362      11.89108 
1 1 1 -28 -10 23 o 13.825  6.5509  -9.0292    58.742   66.461     82.111   -88.1682   84.072   18.234  8.3283  13.241  6.5933  4.992732       10.62224 
1 1 1 -28 -10 24 o 19.221  8.1055  80.180     64.655   193.148    89.533   -42.9296   93.465   25.470  9.9708  14.805  7.2967  10.66463       12.35550 
1 1 1 -28 -10 25 o 20.963  8.4025  103.305    65.010   121.032    87.279   81.213     97.432   20.809  9.1003  18.674  8.7180  2.135180       12.60232 
1 1 1 -28 -10 26 o 38.291  7.9185  280.143    71.141   275.835    95.305   285.564    106.910  30.772  10.568  28.908  11.005  1.864252       15.25788 
1 1 1 -28 -10 27 o 16.573  7.5023  42.916     64.796   -22.2237   87.012   124.008    97.084   14.867  7.2680  20.263  9.1770  -5.396213      11.70646 
1 1 1 -28 -10 28 o 15.240  7.0554  21.398     61.759   83.953     79.893   -71.4912   97.355   18.695  8.4087  14.136  7.0479  4.559264       10.97173 
1 1 1 -28 -10 29 o 28.256  10.512  258.163    96.322   249.801    110.956  283.739    194.053  25.108  10.605  20.619  10.225  4.489208       14.73155 
1 1 1 -28 -10 30 o 16.068  7.6709  28.393     83.633   -24.8706   96.414   190.300    168.095  14.941  7.3724  19.521  9.6511  -4.579846      12.14482 
1 1 1 -28 -10 31 o 12.978  6.4618  -72.1997   80.662   -106.2224  92.217   38.615     166.428  12.988  6.5295  17.099  8.6187  -4.111384      10.81282 
1 1 1 -28 -10 32 o 14.955  7.0398  19.311     65.799   63.592     84.116   -50.5057   105.621  17.151  8.0372  14.533  7.2609  2.617818       10.83127 
1 1 1 -28 -10 33 o 27.219  9.5837  213.604    78.614   160.695    105.756  278.947    117.528  20.215  9.3139  24.374  10.612  -4.158253      14.11985 
1 1 1 -28 -10 34 o 15.203  7.1809  27.458     69.537   28.862     92.979   25.675     104.749  15.743  7.6557  15.842  7.7915  -0.9901524E-01 10.92317 
1 1 1 -28 -10 35 o 17.139  7.7854  71.011     70.523   156.191    90.149   -63.3300   113.214  20.608  9.1212  14.210  7.1559  6.397121       11.59319 
1 1 1 -28 -10 36 o 13.974  7.0780  -89.9390   121.645  -192.1643  282.460  -66.6621   134.784  ?       ?       14.599  7.4006  0.000000       7.400642 
1 1 1 -28 -10 37 o 15.395  7.7075  13.699     121.915  60.570     310.117  5.1309     132.590  ?       ?       15.386  7.7474  0.000000       7.747394 
1 1 1 -28 -10 38 o 26.228  9.4828  216.472    77.487   222.324    101.679  208.366    119.673  22.053  9.7277  19.804  9.3740  2.249716       13.50926 
1 1 1 -28 -10 39 o 20.068  8.5717  132.885    73.896   172.945    97.350   78.422     113.510  20.005  9.1104  16.414  8.0800  3.591030       12.17725 
1 1 1 -28 -10 40 o 14.493  6.9161  23.655     67.827   57.102     84.446   -37.1468   113.857  15.906  7.6245  14.228  7.1663  1.677911       10.46368 
1 1 1 -28 -10 41 o 15.471  7.6421  39.387     104.547  -121.8185  309.150  60.204     111.092  ?       ?       15.949  7.8779  0.000000       7.877868 
1 1 1 -28 -10 42 o 14.948  7.0395  35.651     65.924   15.287     90.265   58.930     96.509   14.723  7.2397  15.937  7.7612  -1.213683      10.61366 
1 1 1 -28 -10 43 o 15.276  7.1239  42.440     64.771   7.7032     91.014   78.085     92.197   14.580  7.1886  16.577  7.9513  -1.996363      10.71912 
1 1 1 -28 -10 44 o 14.597  7.1871  7.8372     89.968   7.8372     89.968   0.0000     0.0000   14.597  7.1871  ?       ?       0.000000       7.187065 
1 1 1 -28 -10 45 o 16.856  8.0187  84.870     89.713   84.870     89.713   0.0000     0.0000   16.856  8.0187  ?       ?       0.000000       8.018711 
1 1 1 -28 -10 46 o 15.321  7.5050  38.360     94.151   38.360     94.151   0.0000     0.0000   15.321  7.5050  ?       ?       0.000000       7.504979 
1 1 1 -28 -10 47 o 15.483  7.1752  51.234     64.118   15.016     83.625   102.897    99.877   14.394  7.0553  16.895  8.1470  -2.501757      10.77732 
1 1 1 -28 -10 48 o 11.270  5.6110  -56.0220   60.760   -10.0024   84.778   -104.6250  87.125   13.604  6.7485  11.899  6.0230  1.705148       9.045385 
1 1 1 -28 -10 49 o 18.894  9.1002  245.471    123.736  336.516    318.911  229.336    134.253  ?       ?       17.888  8.8023  0.000000       8.802287 
1 1 1 -28 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -9  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -9  3  o 10.958  5.0978  -6.6941    32.846   0.0000     0.0000   -6.6941    32.846   ?       ?       10.958  5.0978  0.000000       5.097824 
1 1 1 -28 -9  4  o 23.377  6.0215  94.201     34.364   131.970    62.770   78.036     41.065   22.769  8.4832  19.788  6.9292  2.981529       10.95349 
1 1 1 -28 -9  5  o 18.304  7.2059  68.760     46.994   151.650    77.039   19.638     59.306   22.684  9.1275  14.780  6.8670  7.903895       11.42220 
1 1 1 -28 -9  6  o 11.111  5.1829  -9.2020    34.321   74.905     110.580  -18.1677   36.104   17.763  8.5671  10.804  5.1241  6.958954       9.982567 
1 1 1 -28 -9  7  o 23.905  7.1654  110.049    44.846   98.222     95.876   113.361    50.738   18.879  8.7576  23.248  7.7109  -4.369625      11.66848 
1 1 1 -28 -9  8  o 37.063  6.3459  230.452    55.015   141.408    111.630  259.018    63.227   20.273  9.4199  38.006  7.1178  -17.73350      11.80667 
1 1 1 -28 -9  9  o 21.548  7.8824  100.184    53.764   35.644     192.629  105.637    55.989   17.831  9.0180  21.874  8.0374  -4.043957      12.07991 
1 1 1 -28 -9  10 o 20.305  7.9621  89.954     57.165   200.318    203.614  80.511     59.560   19.897  9.9616  19.330  7.9330  0.5677090      12.73446 
1 1 1 -28 -9  11 o 25.638  6.8442  117.225    43.374   115.662    67.206   118.340    56.783   21.902  8.6189  23.390  8.1505  -1.487545      11.86241 
1 1 1 -28 -9  12 o 30.227  8.4907  190.250    64.844   162.685    81.394   238.141    107.284  24.350  9.5139  26.183  10.685  -1.832581      14.30670 
1 1 1 -28 -9  13 o 19.066  8.0369  75.762     63.525   99.815     75.134   15.464     118.962  20.364  8.6692  17.166  8.4145  3.197399       12.08140 
1 1 1 -28 -9  14 o 27.505  8.0515  151.285    57.166   188.442    79.173   110.814    82.627   27.163  9.6119  20.810  8.9790  6.353409       13.15335 
1 1 1 -28 -9  15 o 18.045  7.4409  59.639     52.709   43.029     72.986   77.745     76.202   17.163  7.8441  19.077  8.4176  -1.914206      11.50593 
1 1 1 -28 -9  16 o 26.465  8.2851  145.053    59.130   113.576    79.199   184.693    88.879   21.274  8.9711  25.485  9.9460  -4.210672      13.39417 
1 1 1 -28 -9  17 o 45.922  6.4632  346.202    70.024   370.932    97.245   319.571    100.916  40.449  9.9717  34.492  10.828  5.957001       14.71994 
1 1 1 -28 -9  18 o 19.798  9.1559  98.620     103.610  113.691    258.370  95.732     113.103  ?       ?       19.584  9.2222  0.000000       9.222250 
1 1 1 -28 -9  19 o 13.119  6.5616  -111.1180  87.375   -72.8769   252.771  -116.3073  93.115   ?       ?       13.405  6.7150  0.000000       6.714972 
1 1 1 -28 -9  20 o 28.962  11.064  272.811    108.300  108.256    248.380  311.440    120.342  19.386  9.8493  29.401  11.545  -10.01512      15.17556 
1 1 1 -28 -9  21 o 22.375  8.3423  110.004    60.724   152.542    84.739   65.101     87.062   23.562  9.5405  18.425  8.4747  5.137796       12.76094 
1 1 1 -28 -9  22 o 24.491  8.5820  133.828    62.996   111.568    87.603   157.666    90.655   20.699  9.0831  23.296  9.6950  -2.596409      13.28512 
1 1 1 -28 -9  23 o 23.646  8.7874  131.874    67.266   249.294    101.439  39.718     89.866   28.186  10.722  17.327  8.1779  10.85810       13.48498 
1 1 1 -28 -9  24 o 26.420  8.8972  160.709    67.519   235.299    97.009   90.624     94.033   27.763  10.504  19.345  8.8646  8.418215       13.74441 
1 1 1 -28 -9  25 o 25.393  8.9144  152.730    67.985   117.793    92.713   193.366    99.990   20.566  9.1680  24.275  10.149  -3.708769      13.67665 
1 1 1 -28 -9  26 o 23.252  8.7928  131.931    67.960   190.548    92.029   61.627     100.786  24.875  9.9877  18.008  8.5467  6.867493       13.14539 
1 1 1 -28 -9  27 o 15.156  7.0811  14.280     64.464   33.999     86.377   -10.5102   96.850   16.737  7.9344  15.670  7.6623  1.066432       11.03023 
1 1 1 -28 -9  28 o 14.919  7.0160  10.029     65.065   -14.1151   86.728   41.113     98.408   15.086  7.3490  17.092  8.2028  -2.006001      11.01330 
1 1 1 -28 -9  29 o 27.584  10.397  242.554    94.815   258.586    111.396  200.399    180.629  25.796  10.742  19.827  9.8382  5.968225       14.56648 
1 1 1 -28 -9  30 o 27.704  10.312  242.482    92.717   199.082    110.119  348.173    171.846  22.514  10.017  22.803  10.916  -0.2894173     14.81593 
1 1 1 -28 -9  31 o 13.585  6.6785  -39.9537   76.668   -59.8570   89.976   12.800     146.483  13.830  6.8762  16.695  8.3715  -2.864614      10.83349 
1 1 1 -28 -9  32 o 12.981  6.2763  -22.4055   60.259   -70.6315   75.296   63.506     100.497  12.633  6.2823  17.233  8.2755  -4.599966      10.38999 
1 1 1 -28 -9  33 o 23.168  8.9625  151.972    71.684   264.093    96.517   14.037     107.052  27.464  10.456  15.838  7.8063  11.62577       13.04873 
1 1 1 -28 -9  34 o 13.840  6.5612  4.7106     59.059   68.528     72.990   -116.2840  100.503  17.206  7.8563  13.044  6.5897  4.161948       10.25403 
1 1 1 -28 -9  35 o 17.183  8.4051  84.887     116.861  460.107    249.233  -20.8524   132.306  19.506  9.9057  15.351  7.7311  4.154230       12.56550 
1 1 1 -28 -9  36 o 17.357  8.4933  101.826    119.640  -47.6551   254.266  144.332    135.588  ?       ?       18.014  8.8606  0.000000       8.860559 
1 1 1 -28 -9  37 o 13.849  6.9925  -74.4294   112.308  -218.9604  244.794  -35.8972   126.396  ?       ?       14.764  7.4501  0.000000       7.450098 
1 1 1 -28 -9  38 o 16.290  7.4210  59.509     64.653   95.803     80.108   -8.3016    109.498  17.742  8.1491  14.773  7.3826  2.968989       10.99594 
1 1 1 -28 -9  39 o 16.287  7.4877  61.555     67.842   21.025     84.190   136.611    114.568  14.858  7.2385  17.908  8.6575  -3.049858      11.28483 
1 1 1 -28 -9  40 o 14.283  6.7995  19.519     64.735   -20.3803   78.321   105.546    115.005  13.495  6.6562  17.049  8.3393  -3.554558      10.67001 
1 1 1 -28 -9  41 o 15.381  7.5994  32.728     103.615  119.629    270.438  17.777     112.175  ?       ?       15.171  7.5644  0.000000       7.564351 
1 1 1 -28 -9  42 f 15.706  7.2617  50.514     65.117   121.858    85.524   -47.8907   100.442  18.547  8.4822  13.726  6.8897  4.820133       10.92777 
1 1 1 -28 -9  43 o 11.902  6.0075  -106.3896  82.475   -106.3896  82.475   0.0000     0.0000   11.902  6.0075  ?       ?       0.000000       6.007470 
1 1 1 -28 -9  44 o 16.450  7.9099  70.487     92.509   70.487     92.509   0.0000     0.0000   16.450  7.9099  ?       ?       0.000000       7.909918 
1 1 1 -28 -9  45 f 16.043  7.8082  59.024     97.256   59.024     97.256   0.0000     0.0000   16.043  7.8082  ?       ?       0.000000       7.808186 
1 1 1 -28 -9  46 o 15.288  7.3520  40.365     79.985   34.551     87.727   69.014     194.730  15.188  7.3971  ?       ?       0.000000       7.397087 
1 1 1 -28 -9  47 o 14.552  6.8362  32.063     61.503   42.800     83.656   19.434     90.731   15.230  7.3717  14.663  7.2192  0.5670824      10.31791 
1 1 1 -28 -9  48 o 9.5911  4.8477  -106.8608  54.929   5.6978     71.785   -265.8646  85.319   13.630  6.6500  ?       ?       0.000000       6.650044 
1 1 1 -28 -9  49 o ?       ?       -181.4194  109.265  -433.3583  268.124  -131.2482  119.651  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -8  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -8  2  o 5.3054  2.6753  -46.9939   16.136   0.0000     0.0000   -46.9939   16.136   ?       ?       5.3054  2.6753  0.000000       2.675339 
1 1 1 -28 -8  3  o 24.646  6.0801  104.411    36.135   209.400    72.578   69.809     41.666   28.712  9.2022  18.733  6.9249  9.979733       11.51672 
1 1 1 -28 -8  4  o ?       ?       -100.3663  20.065   -135.1104  47.244   -92.7198   22.163   8.5008  4.3166  ?       ?       0.000000       4.316590 
1 1 1 -28 -8  5  o 13.452  6.2236  5.4982     47.950   10.271     110.025  4.3792     53.275   16.195  7.9689  13.777  6.4368  2.417705       10.24382 
1 1 1 -28 -8  6  f 13.156  5.7641  15.343     35.159   163.280    84.957   -15.2289   38.621   23.177  9.4890  11.361  5.3618  11.81599       10.89908 
1 1 1 -28 -8  7  o 10.422  5.0086  -29.1424   36.970   -7.3060    81.730   -34.7598   41.453   15.062  7.2892  10.774  5.2086  4.287193       8.958902 
1 1 1 -28 -8  8  o 19.618  7.4428  77.400     48.794   77.047     101.796  77.505     55.597   18.427  8.6991  19.233  7.7487  -0.8058510     11.64976 
1 1 1 -28 -8  9  o 18.367  7.6122  66.426     55.558   73.044     195.104  65.842     57.958   18.537  9.3419  18.273  7.6883  0.2636604      12.09879 
1 1 1 -28 -8  10 o 13.800  6.0808  16.309     39.629   89.081     63.431   -30.2814   50.754   20.056  8.2038  12.175  5.8553  7.881149       10.07905 
1 1 1 -28 -8  11 o 28.138  8.5605  168.548    63.661   149.820    73.936   222.229    125.176  24.412  9.1849  23.693  10.601  0.7189045      14.02641 
1 1 1 -28 -8  12 o 34.818  8.8944  252.698    75.415   258.603    90.366   239.150    136.887  31.460  10.284  23.686  10.793  7.774685       14.90787 
1 1 1 -28 -8  13 o 21.616  8.6110  107.982    67.847   128.214    78.941   50.794     132.721  22.365  9.1506  18.374  8.9813  3.991077       12.82179 
1 1 1 -28 -8  14 o 25.578  8.2128  134.560    57.790   156.810    78.666   108.475    85.176   24.732  9.4341  20.795  9.0441  3.936886       13.06901 
1 1 1 -28 -8  15 o 15.425  6.9319  22.877     54.151   78.615     72.413   -47.8381   81.564   19.366  8.3808  14.275  6.9910  5.091473       10.91383 
1 1 1 -28 -8  16 o 29.718  8.4804  179.496    64.161   107.318    88.712   258.664    92.908   20.702  9.1110  31.342  10.436  -10.63975      13.85362 
1 1 1 -28 -8  17 o 19.487  7.7865  74.402     55.639   100.570    74.153   40.691     84.166   20.854  8.7310  17.505  8.1491  3.348577       11.94312 
1 1 1 -28 -8  18 o 15.055  7.3646  -38.4156   89.744   -146.2339  249.287  -22.3615   96.194   ?       ?       15.809  7.7096  0.000000       7.709639 
1 1 1 -28 -8  19 o 20.696  9.4117  115.280    103.422  180.686    269.625  103.996    111.988  20.191  10.258  20.085  9.3667  0.1058578      13.89133 
1 1 1 -28 -8  20 f 27.478  8.7428  162.685    65.603   229.823    93.903   98.672     91.691   28.616  10.425  20.167  9.0443  8.449455       13.80130 
1 1 1 -28 -8  21 o 22.362  8.5129  111.536    63.972   69.939     91.479   151.347    89.493   18.793  8.6600  23.264  9.6531  -4.471510      12.96835 
1 1 1 -28 -8  22 o 20.214  8.1214  86.001     60.891   -57.1116   86.085   229.303    86.142   14.283  7.0320  29.939  10.050  -15.65663      12.26563 
1 1 1 -28 -8  23 o 24.887  8.5241  135.281    61.985   65.136     88.652   202.375    86.702   18.461  8.5135  27.289  10.006  -8.828159      13.13743 
1 1 1 -28 -8  24 f 33.068  8.3071  215.964    66.566   261.638    92.219   166.278    96.184   31.258  10.397  23.346  9.8679  7.911615       14.33427 
1 1 1 -28 -8  25 f 21.849  8.1523  103.465    58.011   107.719    78.784   98.427     85.738   20.739  8.8542  19.930  8.8546  0.8087711      12.52200 
1 1 1 -28 -8  26 o 13.893  6.4470  2.7442     52.020   66.394     66.918   -94.4650   82.699   18.284  7.9829  13.013  6.4895  5.270474       10.28787 
1 1 1 -28 -8  27 o 21.538  8.3859  107.575    63.071   82.625     82.741   142.180    97.442   18.929  8.5314  21.443  9.4872  -2.514013      12.75902 
1 1 1 -28 -8  28 f 30.698  8.3341  194.702    63.672   204.565    83.171   180.737    98.967   27.180  9.8249  23.226  9.9201  3.954357       13.96198 
1 1 1 -28 -8  29 o 16.071  7.4877  30.377     71.286   61.220     81.619   -68.8240   146.377  17.643  8.1477  15.913  8.0286  1.730295       11.43867 
1 1 1 -28 -8  30 o 16.125  7.5267  33.155     72.573   -9.8574    83.057   171.999    149.225  14.925  7.2528  19.877  9.6734  -4.951580      12.09042 
1 1 1 -28 -8  31 o 16.560  7.4203  47.879     61.571   35.836     80.166   65.202     96.147   16.289  7.6990  17.525  8.3265  -1.235552      11.34037 
1 1 1 -28 -8  32 o 22.298  8.4231  123.828    62.323   121.760    76.258   127.989    108.151  20.657  8.7620  19.334  9.0772  1.323307       12.61618 
1 1 1 -28 -8  33 o 44.221  7.5293  373.755    77.893   330.232    100.027  440.810    124.157  32.108  10.829  33.263  12.007  -1.154743      16.16908 
1 1 1 -28 -8  34 o 17.770  7.6218  71.755     58.865   122.388    70.480   -45.0206   107.036  20.760  8.5863  14.542  7.2717  6.218414       11.25176 
1 1 1 -28 -8  35 o 17.864  8.6801  111.076    118.879  -294.4262  252.406  226.667    134.761  ?       ?       20.367  9.7273  0.000000       9.727283 
1 1 1 -28 -8  36 f 14.664  7.3446  -30.2212   111.217  -148.9484  229.880  6.0612     127.079  ?       ?       15.572  7.8071  0.000000       7.807105 
1 1 1 -28 -8  37 o 13.363  6.3801  0.6104     57.879   -2.5935    69.031   8.1935     106.202  13.801  6.6841  15.166  7.5282  -1.364726      10.06734 
1 1 1 -28 -8  38 o 17.550  7.6435  77.687     61.005   80.111     75.027   72.958     104.798  17.206  7.8969  16.552  8.0667  0.6542454      11.28861 
1 1 1 -28 -8  39 o 17.099  7.5890  73.050     62.819   52.019     75.757   119.342    112.394  15.869  7.4954  17.574  8.5159  -1.704796      11.34466 
1 1 1 -28 -8  40 o 16.713  8.1336  84.409     105.474  -230.4044  273.810  139.262    114.294  ?       ?       18.006  8.6907  0.000000       8.690671 
1 1 1 -28 -8  41 o 15.101  7.4764  18.208     102.153  -174.1507  253.104  55.638     111.650  ?       ?       15.990  7.8982  0.000000       7.898248 
1 1 1 -28 -8  42 o 16.460  7.5625  64.809     69.063   64.809     69.063   0.0000     0.0000   16.460  7.5625  ?       ?       0.000000       7.562494 
1 1 1 -28 -8  43 o 12.084  5.9930  -52.0500   66.688   -52.0500   66.688   0.0000     0.0000   12.084  5.9930  ?       ?       0.000000       5.993037 
1 1 1 -28 -8  44 o 16.960  7.8791  77.395     78.032   77.395     78.032   0.0000     0.0000   16.960  7.8791  ?       ?       0.000000       7.879110 
1 1 1 -28 -8  45 o 21.944  8.8599  154.958    72.858   169.564    77.885   52.652     206.131  22.260  9.0963  ?       ?       0.000000       9.096304 
1 1 1 -28 -8  46 o 12.100  5.8871  -22.3260   55.160   -78.4786   67.735   88.233     95.044   11.438  5.7291  16.821  8.0698  -5.383422      9.896688 
1 1 1 -28 -8  47 f 14.569  6.8247  32.800     60.552   -12.4748   77.902   101.908    96.246   13.502  6.6557  16.983  8.1405  -3.481341      10.51500 
1 1 1 -28 -8  48 o 10.842  5.4160  -66.2734   58.690   -117.1543  76.914   4.6458     90.806   11.115  5.6299  14.077  6.9832  -2.961409      8.970014 
1 1 1 -28 -8  49 o 15.666  7.8396  100.685    125.412  922.199    286.169  -94.5994   139.524  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -7  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -28 -7  2  o 15.321  5.9662  38.649     31.929   141.605    77.992   17.920     34.996   21.753  9.0175  13.215  5.7714  8.537256       10.70630 
1 1 1 -28 -7  3  o 7.9413  3.8952  -38.4129   25.626   -39.3510   48.883   -38.0573   30.093   11.360  5.5304  8.8056  4.2982  2.554687       7.004334 
1 1 1 -28 -7  4  o 21.666  8.0983  107.911    57.294   -55.7858   128.263  148.716    64.038   15.462  7.7640  24.877  8.6563  -9.415118      11.62806 
1 1 1 -28 -7  5  o 14.059  5.9157  25.222     34.315   -40.9873   76.146   42.095     38.440   13.695  6.7169  15.986  6.4422  -2.291202      9.306928 
1 1 1 -28 -7  6  o 7.7278  3.8803  -76.4249   32.014   13.561     71.049   -99.3499   35.861   15.391  7.2664  7.7351  3.9103  7.656402       8.251733 
1 1 1 -28 -7  7  o 16.256  6.4174  43.276     37.370   45.181     54.469   41.582     51.366   16.659  7.2389  16.326  7.0619  0.3327770      10.11292 
1 1 1 -28 -7  8  o 16.579  7.2712  42.403     56.075   -44.8853   183.514  51.393     58.892   17.230  8.7239  17.254  7.5122  -0.2332497E-01 11.51257 
1 1 1 -28 -7  9  o 13.123  5.8704  8.8394     38.370   36.198     59.998   -10.0929   49.911   16.360  7.3280  13.069  6.1457  3.290323       9.563977 
1 1 1 -28 -7  10 o 14.315  6.2547  20.206     41.146   35.178     64.812   10.098     53.254   16.527  7.4905  14.502  6.6547  2.025297       10.01964 
1 1 1 -28 -7  11 o 13.508  6.4736  -23.7083   60.799   6.5521     70.143   -115.1302  121.919  15.417  7.2608  14.975  7.5261  0.4420671      10.45763 
1 1 1 -28 -7  12 o 13.920  6.6480  -18.7512   62.937   -23.5498   72.606   -4.2476    126.228  14.444  6.9602  17.188  8.4725  -2.744132      10.96488 
1 1 1 -28 -7  13 o 22.713  8.0236  105.453    55.147   77.093     74.803   139.218    81.622   19.303  8.4337  23.193  9.3729  -3.889751      12.60872 
1 1 1 -28 -7  14 o 15.211  6.8166  20.571     51.981   38.309     67.281   -5.6937    81.872   16.990  7.6721  15.684  7.5150  1.306174       10.73951 
1 1 1 -28 -7  15 o 24.637  8.3462  126.596    59.419   163.756    80.955   83.200     87.485   25.345  9.5937  19.606  8.8106  5.739296       13.02559 
1 1 1 -28 -7  16 o 15.286  6.9503  16.832     56.373   -40.9713   75.716   88.729     84.443   14.177  6.8974  19.966  8.8330  -5.789546      11.20700 
1 1 1 -28 -7  17 o 18.617  8.7240  58.992     99.100   -183.5447  252.253  103.256    107.764  ?       ?       20.307  9.3724  0.000000       9.372355 
1 1 1 -28 -7  18 o 14.965  7.3602  -53.0659   93.462   299.433    253.486  -108.5258  100.546  21.732  10.913  14.169  7.0799  7.562428       13.00833 
1 1 1 -28 -7  19 o 17.514  8.3566  28.089     98.963   -139.4578  265.608  55.097     106.641  ?       ?       18.546  8.7990  0.000000       8.798950 
1 1 1 -28 -7  20 o 31.879  8.3018  197.768    64.849   197.817    87.908   197.710    96.055   27.209  10.059  26.051  10.287  1.157740       14.38762 
1 1 1 -28 -7  21 o 14.671  6.7588  7.6382     55.677   -10.6413   75.351   29.619     82.629   15.142  7.2432  17.048  7.9815  -1.906308      10.77820 
1 1 1 -28 -7  22 o 11.655  5.6556  -44.0076   50.021   -8.0201    66.392   -91.2551   76.073   14.645  6.9468  12.766  6.3429  1.879213       9.406924 
1 1 1 -28 -7  23 o 22.643  8.2385  109.088    58.620   109.784    79.161   108.243    87.226   21.178  8.9518  20.747  9.0847  0.4308090      12.75411 
1 1 1 -28 -7  24 o 18.065  7.5707  59.396     55.836   30.562     75.756   93.691     82.619   16.708  7.7623  19.963  8.7888  -3.254810      11.72589 
1 1 1 -28 -7  25 o 14.880  6.8068  14.675     55.115   54.370     74.461   -33.4250   81.967   17.768  8.0428  14.607  7.1219  3.160869       10.74286 
1 1 1 -28 -7  26 o 25.507  8.5274  142.999    62.019   111.800    84.723   179.019    91.034   20.693  9.0100  24.523  9.9029  -3.830202      13.38833 
1 1 1 -28 -7  27 o 12.695  6.1032  -27.5791   55.015   -82.4594   73.183   43.737     83.424   12.557  6.2361  17.209  8.0450  -4.651426      10.17900 
1 1 1 -28 -7  28 o 18.800  8.3425  79.251     75.882   49.607     87.075   172.827    154.706  17.387  8.1573  20.327  9.8828  -2.940380      12.81446 
1 1 1 -28 -7  29 o 13.612  6.6256  -32.5519   70.092   -41.0286   79.488   -2.9192    148.618  13.961  6.8505  16.944  8.4869  -2.982258      10.90673 
1 1 1 -28 -7  30 o 19.631  8.6064  100.262    78.490   102.335    89.931   93.637     160.798  19.341  8.7882  18.340  9.1301  1.001390       12.67241 
1 1 1 -28 -7  31 o 12.760  6.1841  -29.6604   59.316   -41.1409   73.305   -7.8884    100.949  13.408  6.5790  15.554  7.6498  -2.146250      10.08974 
1 1 1 -28 -7  32 o 15.948  7.2284  39.375     60.370   44.740     71.874   26.520     111.248  16.433  7.6089  16.452  8.0790  -0.1865768E-01 11.09796 
1 1 1 -28 -7  33 o 17.086  7.5523  59.951     61.597   62.559     75.388   54.712     106.839  17.151  7.8880  16.935  8.2285  0.2168789      11.39861 
1 1 1 -28 -7  34 o 14.634  7.3280  -47.4839   110.466  193.130    242.232  -110.6625  124.124  ?       ?       14.133  7.1576  0.000000       7.157584 
1 1 1 -28 -7  35 o 17.308  8.4558  86.155     117.191  -40.3191   253.906  120.391    132.104  ?       ?       17.913  8.7978  0.000000       8.797767 
1 1 1 -28 -7  36 o 17.585  8.5825  107.402    119.862  425.934    259.751  21.224     135.107  ?       ?       15.928  7.9943  0.000000       7.994276 
1 1 1 -28 -7  37 o 18.723  8.0143  95.419     64.848   64.563     79.212   158.128    112.925  16.583  7.7802  19.003  9.0273  -2.419806      11.91739 
1 1 1 -28 -7  38 o 12.988  6.2918  -12.8503   61.233   -117.0796  73.620   221.114    110.300  11.202  5.6568  21.308  9.7015  -10.10608      11.23029 
1 1 1 -28 -7  39 o 13.879  6.5959  11.574     60.413   36.395     72.114   -46.8440   110.633  15.246  7.2341  14.154  7.1204  1.092178       10.15053 
1 1 1 -28 -7  40 o 18.827  8.9100  155.658    108.019  444.832    264.710  97.886     118.318  ?       ?       16.951  8.3255  0.000000       8.325526 
1 1 1 -28 -7  41 o 13.546  6.5973  -7.8948    69.770   -7.8948    69.770   0.0000     0.0000   13.546  6.5973  ?       ?       0.000000       6.597319 
1 1 1 -28 -7  42 o 17.196  7.9302  82.136     76.918   82.136     76.918   0.0000     0.0000   17.196  7.9302  ?       ?       0.000000       7.930164 
1 1 1 -28 -7  43 o 13.980  6.6919  9.2803     64.539   9.2803     64.539   0.0000     0.0000   13.980  6.6919  ?       ?       0.000000       6.691859 
1 1 1 -28 -7  44 o 11.246  5.6026  -68.5531   60.991   -97.4813   64.078   210.128    198.886  10.828  5.4436  17.596  8.9268  -6.767555      10.45569 
1 1 1 -28 -7  45 o 15.069  7.0382  36.377     63.615   22.713     69.586   105.900    156.965  14.612  6.9820  16.732  8.4255  -2.119186      10.94244 
1 1 1 -28 -7  46 f 17.509  7.5246  78.030     57.574   45.861     70.369   143.173    100.135  15.446  7.2738  18.533  8.7118  -3.086965      11.34920 
1 1 1 -28 -7  47 o 10.692  5.3093  -57.1224   52.987   -41.1733   63.031   -95.5487   97.837   11.942  5.9053  12.662  6.4066  -0.7203150     8.713033 
1 1 1 -28 -7  48 o 15.627  7.7753  73.482     115.992  223.996    280.723  42.495     127.373  ?       ?       15.102  7.6028  0.000000       7.602835 
1 1 1 -28 -7  49 o 15.693  7.8656  109.691    128.633  207.100    313.373  89.953     141.065  ?       ?       15.304  7.7382  0.000000       7.738199 
1 1 1 -28 -6  1  o 20.784  6.7520  82.439     38.979   0.0000     0.0000   82.439     38.979   ?       ?       20.784  6.7520  0.000000       6.752045 
1 1 1 -28 -6  2  o 14.536  5.8893  31.489     32.312   -24.4211   62.870   51.560     37.668   13.184  6.3836  16.921  6.5105  -3.737159      9.118003 
1 1 1 -28 -6  3  f 12.945  5.9548  3.3847     42.994   -87.7747   72.351   53.149     53.457   12.163  6.0664  16.972  7.2709  -4.808429      9.469275 
1 1 1 -28 -6  4  o 6.3327  3.1936  -65.0125   23.017   -181.6820  111.296  -59.7998   23.525   13.121  6.6588  6.6236  3.3259  6.497066       7.443201 
1 1 1 -28 -6  5  o 13.496  5.4556  23.504     27.661   49.613     41.993   3.4933     36.764   16.896  6.7599  12.436  5.6385  4.460139       8.802786 
1 1 1 -28 -6  6  o 11.523  5.3235  -6.6364    34.900   -15.0580   50.173   1.2585     48.578   12.775  6.0535  13.493  6.2501  -0.7178707     8.701066 
1 1 1 -28 -6  7  o 19.995  7.0803  75.065     42.967   31.135     61.004   118.308    60.526   16.054  7.2723  23.039  8.3731  -6.985126      11.09033 
1 1 1 -28 -6  8  o 15.214  6.4149  31.034     40.485   59.333     64.629   12.758     51.938   17.973  7.8462  14.549  6.6369  3.423814       10.27671 
1 1 1 -28 -6  9  o 21.598  7.3676  88.982     46.305   96.162     72.463   84.026     60.200   20.452  8.6004  20.037  8.0663  0.4150429      11.79120 
1 1 1 -28 -6  10 o 14.166  6.6393  -3.5882    57.442   -15.0777   65.233   36.079     121.208  14.244  6.7931  18.007  8.7529  -3.762760      11.07974 
1 1 1 -28 -6  11 o 16.223  7.3126  29.608     60.800   64.032     68.345   -100.9830  133.120  18.533  8.0804  15.758  7.9124  2.775290       11.30923 
1 1 1 -28 -6  12 o 25.283  7.6977  121.684    51.461   150.224    78.969   100.618    67.844   24.448  9.4211  21.298  8.5670  3.150719       12.73381 
1 1 1 -28 -6  13 o 18.591  7.3058  61.792     48.226   26.460     73.310   88.746     64.032   16.664  7.7047  20.566  8.3052  -3.902328      11.32860 
1 1 1 -28 -6  14 o 33.284  7.7327  201.024    61.258   165.125    83.757   242.311    89.824   25.277  9.7125  31.027  10.258  -5.750116      14.12662 
1 1 1 -28 -6  15 f 41.808  6.7406  288.205    66.054   235.819    93.715   339.924    93.116   29.725  10.464  39.745  9.7331  -10.02057      14.29084 
1 1 1 -28 -6  16 o 30.948  9.0006  201.297    71.645   172.272    90.392   250.343    117.502  25.161  9.9656  27.132  11.140  -1.971569      14.94685 
1 1 1 -28 -6  17 o 24.225  10.399  185.293    109.754  108.719    277.723  199.465    119.479  ?       ?       24.229  10.620  0.000000       10.62044 
1 1 1 -28 -6  18 o 23.412  10.199  168.776    108.683  710.725    274.163  67.733     118.381  26.761  13.043  19.194  9.1532  7.567141       15.93451 
1 1 1 -28 -6  19 o 44.147  6.8750  324.501    71.247   275.375    96.877   382.374    105.148  32.545  10.648  40.184  10.623  -7.639526      15.04082 
1 1 1 -28 -6  20 o 32.093  8.3488  199.949    65.631   189.995    89.030   211.796    97.130   26.587  10.062  27.135  10.451  -0.5484791     14.50694 
1 1 1 -28 -6  21 o 12.225  5.9497  -49.1308   56.449   -48.7462   76.588   -49.5882   83.525   14.012  6.8434  14.465  7.0820  -0.4532909     9.848195 
1 1 1 -28 -6  22 o 26.292  8.4354  143.458    60.974   164.212    82.606   118.615    90.379   25.149  9.6498  21.412  9.3145  3.736895       13.41186 
1 1 1 -28 -6  23 o 23.530  8.3813  118.469    60.293   160.208    82.293   70.096     88.591   24.745  9.5944  18.873  8.6320  5.872431       12.90600 
1 1 1 -28 -6  24 o 16.985  7.4005  44.310     57.243   31.978     77.088   59.468     85.465   16.871  7.8356  18.284  8.4051  -1.412859      11.49100 
1 1 1 -28 -6  25 o 18.723  7.8417  68.366     59.845   39.541     81.828   101.516    87.751   17.253  8.0327  20.228  8.9739  -2.975727      12.04388 
1 1 1 -28 -6  26 o 19.229  7.8172  74.785     57.147   85.611     77.276   61.718     84.898   19.466  8.5368  18.174  8.3629  1.292416       11.95049 
1 1 1 -28 -6  27 o 22.506  8.4728  116.177    62.935   58.245     85.469   184.790    93.016   17.904  8.2924  24.573  9.9795  -6.669388      12.97511 
1 1 1 -28 -6  28 o 15.004  7.1022  4.7047     68.699   23.472     76.944   -69.0569   152.540  16.139  7.6020  16.281  8.2120  -0.1417446     11.19049 
1 1 1 -28 -6  29 o 13.915  6.7141  -20.3561   68.107   -1.4419    76.010   -97.3848   153.392  15.044  7.2171  15.821  8.0067  -0.7773266     10.77935 
1 1 1 -28 -6  30 o 17.527  7.5828  59.674     59.246   126.083    78.994   -25.7143   89.573   21.281  8.9660  14.830  7.2757  6.451505       11.54669 
1 1 1 -28 -6  31 o 17.638  7.6532  63.358     60.712   70.144     75.193   50.648     102.904  17.892  8.0921  17.179  8.2803  0.7127342      11.57779 
1 1 1 -28 -6  32 o 22.849  8.7146  135.817    67.118   77.381     82.554   249.750    115.272  17.990  8.2665  24.099  10.501  -6.109318      13.36433 
1 1 1 -28 -6  33 o 24.419  8.9725  160.118    69.776   107.294    85.329   266.730    121.223  19.150  8.6447  23.790  10.551  -4.639076      13.64010 
1 1 1 -28 -6  34 o 14.913  7.4477  -32.9014   110.646  -129.3811  243.776  -7.8685    124.174  ?       ?       15.668  7.8344  0.000000       7.834414 
1 1 1 -28 -6  35 o 17.735  8.6262  103.244    118.214  -129.5928  256.736  165.889    133.170  ?       ?       18.938  9.1986  0.000000       9.198615 
1 1 1 -28 -6  36 o 23.029  8.8124  152.236    68.775   120.227    84.300   215.946    118.928  19.166  8.6274  20.850  9.6996  -1.683643      12.98130 
1 1 1 -28 -6  37 o 27.213  9.1263  202.853    71.039   98.713     88.101   396.400    120.106  17.853  8.3198  29.198  11.512  -11.34548      14.20357 
1 1 1 -28 -6  38 o 13.433  6.4114  2.2555     58.352   7.6753     68.100   -12.7157   113.184  14.096  6.7802  14.861  7.4383  -0.7646866     10.06472 
1 1 1 -28 -6  39 o 13.589  6.5195  2.2784     62.033   -82.6928   74.446   195.286    112.201  11.915  5.9739  20.077  9.3673  -8.161932      11.11005 
1 1 1 -28 -6  40 o 24.256  9.7068  215.821    86.611   215.821    86.611   0.0000     0.0000   24.256  9.7068  ?       ?       0.000000       9.706801 
1 1 1 -28 -6  41 o 12.710  6.2802  -39.0579   70.816   -39.0579   70.816   0.0000     0.0000   12.710  6.2802  ?       ?       0.000000       6.280227 
1 1 1 -28 -6  42 o 16.736  7.7970  70.771     77.291   70.771     77.291   0.0000     0.0000   16.736  7.7970  ?       ?       0.000000       7.797011 
1 1 1 -28 -6  43 o 21.582  9.1771  168.238    84.017   125.692    90.866   418.949    220.577  18.748  8.6361  19.336  9.7674  -0.5880508     13.03786 
1 1 1 -28 -6  44 o 12.499  6.0932  -24.2419   59.933   -0.8150    64.888   -160.3162  156.384  13.624  6.5689  ?       ?       0.000000       6.568877 
1 1 1 -28 -6  45 o 17.740  7.6332  80.351     59.379   122.983    72.254   -8.3407    104.216  19.732  8.4533  14.634  7.2958  5.097739       11.16629 
1 1 1 -28 -6  46 o 13.586  6.4780  9.1785     59.250   -9.2110    72.543   46.026     102.687  13.509  6.6111  15.610  7.6847  -2.101224      10.13707 
1 1 1 -28 -6  47 o 16.935  7.4237  74.390     58.387   35.444     70.132   162.346    105.395  14.786  7.0494  18.499  8.7683  -3.713356      11.25062 
1 1 1 -28 -6  48 o 14.599  7.3219  20.586     112.324  -49.2967   279.267  34.073     122.686  ?       ?       14.887  7.4904  0.000000       7.490439 
1 1 1 -28 -5  1  o 14.370  5.8177  30.286     31.506   -59.8201   61.262   62.689     36.737   11.902  5.8738  18.413  6.5440  -6.510482      8.793471 
1 1 1 -28 -5  2  o 15.559  6.6429  37.124     44.349   23.103     73.516   45.145     55.607   15.710  7.4090  16.409  7.2176  -0.6989813     10.34345 
1 1 1 -28 -5  3  o 13.720  5.6946  23.720     31.160   -211.1885  86.321   58.915     33.412   ?       ?       18.348  6.2584  0.000000       6.258426 
1 1 1 -28 -5  4  o 12.685  5.4095  15.223     29.344   4.5918     42.665   24.766     40.424   13.122  5.9973  14.479  6.2637  -1.356577      8.671903 
1 1 1 -28 -5  5  o 14.800  6.2626  28.602     38.812   69.707     54.407   -13.9887   55.382   18.712  7.6195  13.312  6.3232  5.399835       9.901529 
1 1 1 -28 -5  6  o 15.732  6.5592  36.426     41.603   39.989     59.520   33.022     58.175   16.570  7.3689  16.086  7.2098  0.4843082      10.30933 
1 1 1 -28 -5  7  o 12.733  5.8421  -0.9871    41.023   76.543     64.901   -52.5727   52.940   19.215  8.1129  11.605  5.6727  7.609136       9.899380 
1 1 1 -28 -5  8  o 19.348  7.1010  68.681     43.685   63.153     66.628   72.849     57.855   18.360  7.9921  19.200  7.8422  -0.8405590     11.19707 
1 1 1 -28 -5  9  o 16.817  6.8054  45.212     43.093   52.761     66.578   39.769     56.532   17.781  7.8559  16.699  7.3129  1.082182       10.73283 
1 1 1 -28 -5  10 o 22.350  8.8491  116.268    71.248   103.053    81.554   158.865    146.424  20.837  8.9551  21.315  10.169  -0.4786377     13.54991 
1 1 1 -28 -5  11 o 32.169  9.2415  222.921    75.948   194.872    90.489   289.776    139.701  26.725  10.136  26.460  11.544  0.2645226      15.36273 
1 1 1 -28 -5  12 o 24.196  7.8117  113.012    52.228   156.126    84.140   85.986     66.616   24.569  9.6516  20.316  8.3699  4.252481       12.77531 
1 1 1 -28 -5  13 o 15.054  6.6498  20.784     47.683   105.280    75.364   -35.6208   61.575   21.474  8.8800  13.288  6.4049  8.185867       10.94880 
1 1 1 -28 -5  14 o 15.884  7.0830  25.594     55.383   -27.2140   76.349   84.243     80.460   14.778  7.1252  19.988  8.7396  -5.210686      11.27602 
1 1 1 -28 -5  15 o 13.945  6.5246  -7.6710    55.058   -34.9663   76.595   21.512     79.199   14.550  7.0453  16.817  7.8542  -2.267621      10.55105 
1 1 1 -28 -5  16 o 14.269  7.0637  -81.4418   91.074   -268.3577  257.856  -54.8010   97.348   ?       ?       15.280  7.5142  0.000000       7.514242 
1 1 1 -28 -5  17 o 16.531  7.9559  -3.6805    94.090   -60.0234   193.186  13.841     107.732  18.116  9.1498  17.537  8.4577  0.5784645      12.45996 
1 1 1 -28 -5  18 o 13.995  6.8161  -47.3102   74.463   -151.4467  205.828  -31.6284   79.873   ?       ?       14.877  7.2013  0.000000       7.201253 
1 1 1 -28 -5  19 o 22.700  8.3061  106.790    59.705   93.498     81.798   121.947    87.348   20.507  8.8910  22.058  9.3680  -1.550844      12.91542 
1 1 1 -28 -5  20 o 16.802  7.2942  39.386     55.201   111.689    72.378   -61.1553   85.348   22.116  8.8654  14.342  7.0497  7.774216       11.32666 
1 1 1 -28 -5  21 o 71.635  7.1777  875.244    123.083  1321.56    157.100  165.845    198.062  86.759  7.5376  20.902  10.359  65.85724       12.81143 
1 1 1 -28 -5  22 o 22.407  8.5939  110.873    65.501   112.291    89.944   109.273    95.577   21.161  9.2465  20.829  9.2952  0.3313541      13.11106 
1 1 1 -28 -5  23 o 21.073  8.4688  97.214     66.232   136.612    95.115   60.128     92.282   22.185  9.6028  18.521  8.5917  3.663868       12.88529 
1 1 1 -28 -5  24 o 25.374  8.7895  143.807    65.988   131.376    95.742   155.057    91.076   21.727  9.5158  23.437  9.7325  -1.709618      13.61150 
1 1 1 -28 -5  25 o 23.957  8.7567  131.667    66.335   83.092     95.280   177.360    92.411   19.276  8.8661  24.633  9.9668  -5.356636      13.33961 
1 1 1 -28 -5  26 o 13.978  6.6482  -12.6178   61.603   68.832     88.479   -89.2519   85.823   18.545  8.5349  13.430  6.6832  5.115130       10.84017 
1 1 1 -28 -5  27 o 16.170  7.7383  12.283     86.196   -59.3411   103.706  172.320    155.019  15.000  7.4448  20.667  10.011  -5.667083      12.47595 
1 1 1 -28 -5  28 o 13.324  6.5782  -63.0537   77.124   -44.1180   93.094   -104.4873  137.707  14.747  7.2708  15.432  7.7862  -0.6852350     10.65309 
1 1 1 -28 -5  29 o 20.037  8.9798  111.336    90.219   198.168    106.176  -114.1830  171.111  23.486  10.156  16.059  8.1605  7.427204       13.02837 
1 1 1 -28 -5  30 o 19.581  8.3206  92.141     68.979   129.788    97.206   53.954     97.900   20.426  9.2229  17.424  8.3131  3.001822       12.41651 
1 1 1 -28 -5  31 f 15.950  7.2429  36.635     60.963   -25.1199   86.219   98.378     86.211   14.591  7.1543  19.117  8.6539  -4.526483      11.22831 
1 1 1 -28 -5  32 o 35.880  8.4968  271.620    72.831   263.541    103.109  279.665    102.888  26.801  10.635  27.985  10.762  -1.183220      15.12989 
1 1 1 -28 -5  33 o 21.897  8.9474  140.044    75.353   178.767    95.444   75.972     122.773  22.233  9.6214  17.498  8.5711  4.734276       12.88550 
1 1 1 -28 -5  34 o 15.226  7.5760  -15.5205   110.125  192.411    266.573  -58.3091   120.926  ?       ?       14.778  7.4356  0.000000       7.435571 
1 1 1 -28 -5  35 o 17.602  8.5885  98.719     119.819  201.315    268.885  73.299     133.842  ?       ?       16.986  8.4352  0.000000       8.435194 
1 1 1 -28 -5  36 o 13.681  6.5662  -1.0458    63.066   25.993     82.689   -38.6477   97.511   15.330  7.3972  14.131  7.0469  1.198737       10.21659 
1 1 1 -28 -5  37 o 13.420  6.4416  -2.7100    60.727   -13.0945   75.253   16.677     102.823  13.785  6.7435  15.347  7.5805  -1.562228      10.14587 
1 1 1 -28 -5  38 o 18.552  8.0408  95.937     66.860   151.871    83.195   -6.0762    112.354  20.697  8.9698  14.979  7.4843  5.717852       11.68213 
1 1 1 -28 -5  39 o 18.198  8.2869  103.648    80.529   103.648    80.529   0.0000     0.0000   18.198  8.2869  ?       ?       0.000000       8.286908 
1 1 1 -28 -5  40 o 17.415  8.0536  87.351     80.157   87.351     80.157   0.0000     0.0000   17.415  8.0536  ?       ?       0.000000       8.053569 
1 1 1 -28 -5  41 o 16.062  7.5887  54.419     77.758   54.419     77.758   0.0000     0.0000   16.062  7.5887  ?       ?       0.000000       7.588719 
1 1 1 -28 -5  42 o 17.304  7.6607  74.563     63.630   60.727     78.829   100.438    107.797  16.349  7.6988  17.333  8.3841  -0.9840145     11.38267 
1 1 1 -28 -5  43 f 22.297  9.2046  171.322    80.773   208.638    90.524   25.562     178.910  23.317  9.6946  ?       ?       0.000000       9.694554 
1 1 1 -28 -5  44 f 14.493  6.9013  19.447     66.784   -9.0920    71.762   204.019    182.499  13.669  6.6645  17.837  8.9951  -4.168603      11.19500 
1 1 1 -28 -5  45 o 14.488  6.7784  26.477     59.414   52.356     72.793   -25.1682   102.832  15.863  7.4472  14.267  7.1334  1.595428       10.31245 
1 1 1 -28 -5  46 o 32.877  8.7915  265.399    71.492   258.435    89.338   277.800    119.216  26.243  10.043  21.926  10.023  4.316582       14.18883 
1 1 1 -28 -5  47 o 18.303  8.8762  190.359    122.731  503.690    293.882  124.167    135.074  ?       ?       16.577  8.2709  0.000000       8.270901 
1 1 1 -28 -5  48 o 16.822  8.3431  158.954    129.319  -86.9317   294.201  217.840    143.973  ?       ?       17.426  8.6694  0.000000       8.669362 
1 1 1 -28 -4  1  o 12.301  5.8282  -13.9447   46.470   -18.8342   99.945   -12.5961   52.489   15.330  7.5533  12.927  6.1449  2.402772       9.737217 
1 1 1 -28 -4  2  o 20.947  7.9997  97.760     56.604   -19.4485   106.011  144.501    66.945   15.652  7.7246  24.255  8.8074  -8.603668      11.71490 
1 1 1 -28 -4  3  o 39.375  4.8355  229.342    45.227   227.148    63.522   231.597    64.410   34.641  7.7510  34.905  7.8012  -0.2644806     10.99711 
1 1 1 -28 -4  4  o 25.080  6.7951  111.687    42.378   74.357     56.817   158.494    63.622   19.049  7.7750  26.778  8.6193  -7.728693      11.60792 
1 1 1 -28 -4  5  o 19.036  6.9970  66.743     42.438   93.687     61.592   42.392     58.555   20.635  8.2095  16.714  7.3768  3.921392       11.03685 
1 1 1 -28 -4  6  o 14.849  6.3520  26.613     40.690   27.273     58.929   26.012     56.252   15.859  7.1691  15.655  7.0473  0.2037191      10.05293 
1 1 1 -28 -4  7  o 17.242  6.7513  49.712     41.055   55.571     61.371   44.966     55.235   17.850  7.7199  16.989  7.3359  0.8602543      10.64949 
1 1 1 -28 -4  8  o 14.198  6.1783  18.826     39.790   -46.8486   64.923   58.336     50.356   13.085  6.3710  18.139  7.3509  -5.053142      9.727621 
1 1 1 -28 -4  9  o 18.038  7.8520  55.572     64.313   24.375     76.148   133.196    120.116  16.659  7.7537  21.194  9.8213  -4.535021      12.51311 
1 1 1 -28 -4  10 o 24.241  8.9780  134.670    70.099   149.344    83.670   100.116    128.395  24.069  9.5705  20.110  9.5740  3.958725       13.53720 
1 1 1 -28 -4  11 o 34.624  6.7649  198.748    54.795   196.209    83.120   200.700    72.870   28.209  9.8594  30.664  9.1209  -2.454601      13.43125 
1 1 1 -28 -4  12 o 21.984  7.5858  91.190     49.129   94.925     76.436   88.561     64.131   20.774  8.7895  20.730  8.3325  0.4392624E-01  12.11143 
1 1 1 -28 -4  13 o 15.697  6.9853  23.803     53.571   14.396     75.403   33.391     76.124   16.370  7.6515  17.275  7.9378  -0.9044590     11.02522 
1 1 1 -28 -4  14 o 17.496  7.4567  47.099     55.701   79.728     77.291   11.842     80.344   19.856  8.6256  16.519  7.7770  3.336824       11.61386 
1 1 1 -28 -4  15 o 18.470  8.6410  47.926     96.537   -178.6514  242.119  90.754     105.266  ?       ?       20.221  9.3074  0.000000       9.307414 
1 1 1 -28 -4  16 o 15.045  7.3228  -39.8886   85.576   153.263    185.879  -91.8396   96.400   21.205  10.419  14.426  7.1630  6.779056       12.64387 
1 1 1 -28 -4  17 o 17.084  8.1051  15.319     90.453   168.070    185.379  -32.4121   103.627  21.464  10.518  16.204  7.9237  5.260172       13.16832 
1 1 1 -28 -4  18 o 28.603  8.7966  169.503    66.992   102.265    94.154   238.443    95.339   20.849  9.2701  30.035  10.556  -9.185822      14.04846 
1 1 1 -28 -4  19 o 22.800  8.6852  113.297    66.614   65.392     94.367   160.878    94.048   19.084  8.7946  24.225  9.9586  -5.141678      13.28599 
1 1 1 -28 -4  20 o 22.271  8.7870  110.845    70.025   152.251    102.312  74.355     96.046   23.054  9.9693  19.425  8.9223  3.629543       13.37893 
1 1 1 -28 -4  21 o 24.314  8.9250  133.400    69.014   183.549    100.965  89.421     94.551   24.884  10.283  20.035  9.0667  4.848564       13.70945 
1 1 1 -28 -4  22 o 23.276  8.9563  125.711    71.288   122.266    100.540  129.194    101.094  21.381  9.5380  21.702  9.6296  -0.3209133     13.55371 
1 1 1 -28 -4  23 o 16.483  7.5311  28.519     67.212   89.178     97.588   -26.2201   92.705   19.799  9.0572  15.614  7.6046  4.185205       11.82641 
1 1 1 -28 -4  24 o 12.691  6.2219  -59.3006   65.132   -28.1367   94.071   -87.9957   90.269   15.557  7.5952  13.880  6.8985  1.677683       10.26046 
1 1 1 -28 -4  25 o 19.810  8.2608  83.502     66.003   11.119     95.196   150.512    91.595   16.658  8.0135  22.973  9.6655  -6.314575      12.55536 
1 1 1 -28 -4  26 o 20.686  8.5156  98.245     68.886   117.872    101.849  81.696     93.522   20.546  9.3421  19.114  8.7886  1.432232       12.82632 
1 1 1 -28 -4  27 o 14.955  7.3082  -29.4839   87.699   -61.0141   105.416  41.397     158.054  15.050  7.4757  18.152  9.0393  -3.102818      11.73010 
1 1 1 -28 -4  28 o 20.566  9.1808  120.140    93.320   56.548     114.864  243.622    160.059  17.967  8.6817  21.963  10.520  -3.996393      13.63943 
1 1 1 -28 -4  29 o 27.304  9.2643  184.781    73.211   96.385     104.254  270.784    102.834  19.059  8.9366  28.627  10.818  -9.567593      14.03207 
1 1 1 -28 -4  30 o 16.237  7.3204  39.547     60.967   -10.5637   87.214   87.437     85.260   15.152  7.3787  18.799  8.5477  -3.647340      11.29199 
1 1 1 -28 -4  31 o 14.687  6.9057  10.653     62.983   -74.2833   87.682   101.194    90.529   13.481  6.7160  19.113  8.7358  -5.632667      11.01903 
1 1 1 -28 -4  32 o 30.279  8.9828  215.811    70.750   174.569    100.543  256.262    99.574   21.827  9.6483  26.940  10.524  -5.112709      14.27718 
1 1 1 -28 -4  33 o 20.471  9.4911  169.451    112.380  53.932     302.406  187.960    121.049  ?       ?       20.651  9.6660  0.000000       9.666034 
1 1 1 -28 -4  34 o 14.237  7.0889  -43.4845   97.104   -551.0051  270.123  31.834     104.060  ?       ?       16.129  7.8983  0.000000       7.898339 
1 1 1 -28 -4  35 f 20.493  8.4831  119.348    68.881   125.131    95.628   113.112    99.300   19.011  8.7934  18.406  8.6594  0.6054325      12.34137 
1 1 1 -28 -4  36 f 18.899  8.0569  95.824     65.060   53.260     87.791   147.679    96.899   16.288  7.7987  19.688  9.0132  -3.400026      11.91882 
1 1 1 -28 -4  37 o 19.533  8.3876  113.928    71.435   259.895    101.547  -29.0675   100.508  24.828  10.291  14.330  7.1475  10.49738       12.52933 
1 1 1 -28 -4  38 o 14.474  7.1378  -5.1549    89.895   -5.1549    89.895   0.0000     0.0000   14.474  7.1378  ?       ?       0.000000       7.137821 
1 1 1 -28 -4  39 o 17.630  8.3358  101.041    94.144   101.041    94.144   0.0000     0.0000   17.630  8.3358  ?       ?       0.000000       8.335774 
1 1 1 -28 -4  40 o 12.129  6.0933  -88.8905   79.495   -88.8905   79.495   0.0000     0.0000   12.129  6.0933  ?       ?       0.000000       6.093337 
1 1 1 -28 -4  41 o 14.875  6.9612  30.382     62.738   -17.0032   82.706   94.605     96.285   13.913  6.8581  17.371  8.2756  -3.457890      10.74804 
1 1 1 -28 -4  42 o ?       ?       -517.0431  128.942  -2424.4209 340.675  -198.1147  139.306  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -4  43 o 17.517  7.8781  81.014     70.114   106.499    77.020   -42.2996   169.420  18.625  8.3255  ?       ?       0.000000       8.325477 
1 1 1 -28 -4  44 o 13.285  6.4926  -17.2528   69.262   -54.4248   76.187   159.777    166.264  12.662  6.3005  17.510  8.7986  -4.847925      10.82175 
1 1 1 -28 -4  45 o 14.135  6.6764  18.965     60.117   23.267     75.478   11.502     99.422   14.744  7.1031  14.907  7.3796  -0.1628370     10.24265 
1 1 1 -28 -4  46 o 11.447  5.6082  -33.6103   52.638   18.881     63.176   -152.7702  95.187   14.075  6.7049  ?       ?       0.000000       6.704892 
1 1 1 -28 -4  47 o 15.404  7.7123  55.617     122.104  -19.8130   283.765  72.757     135.267  ?       ?       15.653  7.8743  0.000000       7.874259 
1 1 1 -28 -4  48 o 13.746  6.9702  -31.3388   120.204  309.388    303.360  -94.7991   130.920  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -3  1  o 20.772  8.2813  101.988    62.799   132.057    132.663  93.305     71.292   19.492  9.3969  19.588  8.3943  -0.9547806E-01 12.60021 
1 1 1 -28 -3  2  o 20.937  6.4103  77.046     35.621   80.568     47.436   72.492     53.940   20.077  7.3949  18.852  7.6192  1.225422       10.61774 
1 1 1 -28 -3  3  o 13.130  5.7720  12.995     35.514   99.001     48.980   -82.3449   51.570   22.242  7.5775  10.427  5.1874  11.81537       9.183023 
1 1 1 -28 -3  4  o 27.033  6.9989  130.264    46.268   73.673     65.114   187.979    65.757   18.895  8.0580  29.886  8.6030  -10.99037      11.78741 
1 1 1 -28 -3  5  o 21.088  7.1936  83.418     44.144   115.931    62.662   51.382     62.199   22.767  8.4771  17.480  7.6623  5.287128       11.42685 
1 1 1 -28 -3  6  o 18.955  7.0519  65.035     43.344   47.655     63.386   80.300     59.403   17.352  7.6659  19.824  8.0014  -2.471249      11.08103 
1 1 1 -28 -3  7  o 41.721  5.6252  266.608    55.493   266.067    81.754   267.070    75.569   35.046  9.4139  36.847  8.6079  -1.800308      12.75606 
1 1 1 -28 -3  8  o 24.977  9.1335  146.126    72.178   176.440    85.844   72.997     133.331  25.846  9.8561  19.286  9.3279  6.559872       13.57028 
1 1 1 -28 -3  9  o 10.455  5.2297  -105.0138  55.527   -90.3083   64.729   -145.9862  108.046  11.847  5.8801  14.008  7.0458  -2.161686      9.177078 
1 1 1 -28 -3  10 o 31.169  7.4262  171.617    55.364   161.141    89.270   178.165    70.577   24.570  9.8469  28.733  9.0603  -4.163574      13.38094 
1 1 1 -28 -3  11 o 35.841  6.8363  212.920    57.283   199.397    89.336   222.362    74.648   27.667  10.155  32.792  9.0744  -5.125446      13.61837 
1 1 1 -28 -3  12 o 21.736  7.6021  88.746     49.421   120.468    71.610   59.896     68.291   23.098  8.9517  18.615  8.0972  4.483423       12.07051 
1 1 1 -28 -3  13 o 37.435  6.8662  231.501    60.070   180.860    80.324   295.762    90.483   27.565  9.6889  36.667  9.9268  -9.101648      13.87139 
1 1 1 -28 -3  14 o 19.274  7.7287  67.509     55.030   71.202     66.792   59.704     97.098   19.449  8.2221  19.003  8.8146  0.4465294      12.05404 
1 1 1 -28 -3  15 o 29.805  10.793  244.061    100.424  365.370    209.216  207.743    114.474  24.859  11.939  25.555  10.781  -0.6957626     16.08632 
1 1 1 -28 -3  16 o 22.519  9.7463  133.484    97.956   63.600     205.250  154.096    111.470  19.915  9.9751  22.968  10.156  -3.053308      14.23507 
1 1 1 -28 -3  17 o 12.933  6.2731  -46.8743   61.370   -182.9871  87.457   85.163     86.138   12.087  6.1100  20.162  8.9204  -8.075070      10.81231 
1 1 1 -28 -3  18 o 37.817  8.2649  264.937    73.719   163.121    105.666  361.488    102.898  23.665  10.182  39.569  10.532  -15.90453      14.64913 
1 1 1 -28 -3  19 o 42.845  7.4350  316.224    74.490   239.427    106.655  389.363    104.083  28.264  10.933  41.703  10.338  -13.43856      15.04640 
1 1 1 -28 -3  20 o 29.051  9.2796  186.311    73.850   187.523    108.678  185.271    100.661  24.628  10.454  25.203  10.325  -0.5752754     14.69310 
1 1 1 -28 -3  21 o 36.046  8.6900  254.510    75.117   193.663    110.329  307.087    102.558  24.706  10.511  34.204  10.937  -9.497135      15.16890 
1 1 1 -28 -3  22 o 25.702  9.1171  151.451    71.274   41.598     104.562  246.790    97.411   18.168  8.6468  29.911  10.653  -11.74300      13.72079 
1 1 1 -28 -3  23 o 32.009  9.2612  222.398    76.030   264.473    110.760  184.908    104.553  28.682  11.128  24.374  10.295  4.307705       15.15951 
1 1 1 -28 -3  24 f 40.037  8.3254  304.934    78.241   303.312    110.732  306.552    110.569  31.243  11.330  31.526  11.337  -0.2833118     16.02796 
1 1 1 -28 -3  25 o 22.282  8.9512  121.057    73.958   185.442    107.270  62.720     102.107  23.759  10.241  18.517  8.7328  5.241241       13.45885 
1 1 1 -28 -3  26 o 14.937  7.2756  -28.0674   84.945   29.973     99.248   -187.0388  164.254  17.249  8.2677  ?       ?       0.000000       8.267666 
1 1 1 -28 -3  27 o 23.241  9.8793  169.863    97.302   294.928    114.641  -152.3567  184.012  28.802  11.281  ?       ?       0.000000       11.28059 
1 1 1 -28 -3  28 o 18.555  8.6258  76.368     93.773   72.464     115.276  84.005     161.231  18.394  8.8409  18.655  9.2629  -0.2611790     12.80483 
1 1 1 -28 -3  29 o 24.990  9.0139  155.642    69.953   183.936    104.580  132.731    94.105   22.843  9.9765  20.923  9.2870  1.920698       13.63007 
1 1 1 -28 -3  30 o 21.316  8.4906  112.286    65.956   37.188     94.508   183.592    92.091   16.805  8.0583  23.791  9.8255  -6.986126      12.70730 
1 1 1 -28 -3  31 o 12.814  6.2371  -34.4283   62.087   -24.1583   87.017   -45.0783   88.612   14.627  7.1752  14.174  7.0078  0.4526129      10.02960 
1 1 1 -28 -3  32 o 22.973  9.2423  157.412    78.973   91.925     104.643  244.066    120.372  18.218  8.6647  23.173  10.380  -4.955030      13.52092 
1 1 1 -28 -3  33 o ?       ?       -228.4948  94.934   -346.9620  256.321  -209.6604  102.202  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 -3  34 o 13.513  6.7877  -83.2863   98.425   14.488     271.958  -98.0231   105.583  ?       ?       13.584  6.8491  0.000000       6.849082 
1 1 1 -28 -3  35 o 12.591  6.1740  -35.9354   64.238   -38.2817   92.522   -33.7519   89.258   14.025  6.9728  13.994  6.9389  0.3098392E-01  9.837140 
1 1 1 -28 -3  36 o 13.537  6.5287  -5.9952    64.199   79.259     89.511   -96.3053   92.127   17.181  8.1250  12.810  6.4510  4.371736       10.37456 
1 1 1 -28 -3  37 o 13.298  6.6388  -55.2510   87.548   -55.2510   87.548   0.0000     0.0000   13.298  6.6388  ?       ?       0.000000       6.638830 
1 1 1 -28 -3  38 f 15.909  7.6351  47.673     85.258   47.673     85.258   0.0000     0.0000   15.909  7.6351  ?       ?       0.000000       7.635076 
1 1 1 -28 -3  39 o 25.062  10.527  289.557    108.353  289.557    108.353  0.0000     0.0000   25.062  10.527  ?       ?       0.000000       10.52672 
1 1 1 -28 -3  40 o 15.178  7.0498  36.614     62.427   -13.3608   92.410   78.564     84.666   14.340  7.1014  17.010  8.0007  -2.670730      10.69775 
1 1 1 -28 -3  41 o 10.183  5.1157  -94.8843   56.018   -31.1743   79.209   -158.6352  79.234   13.428  6.6364  10.950  5.5634  2.477773       8.659867 
1 1 1 -28 -3  42 o 23.084  9.5377  194.596    86.834   201.683    101.153  174.745    169.294  21.606  9.6075  17.846  8.9556  3.759806       13.13417 
1 1 1 -28 -3  43 o 21.010  9.1939  167.129    89.211   172.697    105.192  152.866    168.360  19.910  9.2139  17.512  8.8064  2.398043       12.74552 
1 1 1 -28 -3  44 o 26.651  9.1465  201.509    71.377   144.385    104.525  251.423    97.705   18.716  8.8291  24.598  10.136  -5.882746      13.44184 
1 1 1 -28 -3  45 o 12.850  6.2084  -9.3516    58.699   -68.8644   80.132   59.562     86.229   12.449  6.2352  16.033  7.6904  -3.583684      9.900484 
1 1 1 -28 -3  46 o 14.252  7.1314  -11.2359   103.689  299.834    520.761  -24.0773   105.808  ?       ?       14.072  7.0643  0.000000       7.064273 
1 1 1 -28 -3  47 o 16.642  8.2149  128.738    120.076  962.535    534.079  84.347     123.230  ?       ?       15.749  7.8644  0.000000       7.864436 
1 1 1 -28 -2  1  o 31.374  5.9127  158.959    43.360   207.171    61.034   109.831    61.611   32.902  7.7695  21.742  8.3358  11.15993       11.39518 
1 1 1 -28 -2  2  o 21.863  6.8331  87.189     40.239   76.127     53.462   101.646    61.117   19.319  7.6602  21.201  8.2550  -1.881899      11.26163 
1 1 1 -28 -2  3  o 9.6050  4.6900  -44.7603   35.908   -29.7494   52.907   -57.5806   48.894   12.439  5.9815  10.917  5.3599  1.522402       8.031643 
1 1 1 -28 -2  4  o 15.825  7.0044  30.929     53.168   -138.9875  131.552  64.102     58.126   14.974  7.5614  18.380  7.7146  -3.406322      10.80233 
1 1 1 -28 -2  5  o 17.835  6.9032  55.174     42.545   49.608     65.098   59.325     56.211   17.497  7.7473  18.111  7.5933  -0.6142559     10.84804 
1 1 1 -28 -2  6  o 14.814  6.4223  23.537     42.677   76.052     65.107   -16.0264   56.511   19.411  8.1570  13.540  6.4186  5.871279       10.37954 
1 1 1 -28 -2  7  o 21.570  8.3796  99.574     62.866   91.183     72.645   124.598    125.455  20.420  8.6005  20.809  9.7719  -0.3891048     13.01764 
1 1 1 -28 -2  8  o 39.875  8.6128  306.332    80.894   230.625    95.292   501.636    153.053  29.019  10.512  36.006  13.280  -6.987209      16.93704 
1 1 1 -28 -2  9  o 35.062  6.5942  200.638    54.040   192.040    81.738   207.316    72.029   28.134  9.7802  31.649  8.9694  -3.515499      13.27036 
1 1 1 -28 -2  10 o 39.147  6.0439  238.916    55.560   304.724    81.175   180.915    76.208   39.929  8.6303  28.125  9.4524  11.80346       12.79966 
1 1 1 -28 -2  11 o 40.818  6.0884  259.862    58.456   230.521    85.084   286.093    80.449   31.436  9.9518  38.307  8.8354  -6.870850      13.30800 
1 1 1 -28 -2  12 o 9.2460  4.6087  -82.3112   41.504   -128.7053  55.379   -22.8609   62.689   9.9314  5.0016  13.989  6.6682  -4.057610      8.335464 
1 1 1 -28 -2  13 o 19.678  7.5972  70.549     51.429   80.023     67.355   57.304     79.643   20.132  8.3657  18.692  8.4025  1.440163       11.85696 
1 1 1 -28 -2  14 o 21.628  9.2770  109.783    87.214   195.277    192.893  87.814     97.779   22.075  10.798  20.276  9.1939  1.799038       14.18188 
1 1 1 -28 -2  15 o 19.152  8.6325  64.594     84.722   78.156     184.889  60.989     95.318   20.125  9.9803  19.098  8.8143  1.026777       13.31535 
1 1 1 -28 -2  16 o 22.024  9.3201  115.475    85.961   -48.5327   204.386  150.721    94.749   18.642  9.4153  23.788  9.9066  -5.145464      13.66706 
1 1 1 -28 -2  17 o 12.213  5.9764  -61.7940   59.264   31.878     84.355   -153.0910  83.279   17.592  8.1791  12.270  6.1732  5.322563       10.24725 
1 1 1 -28 -2  18 f 12.729  6.1797  -48.4546   59.907   -32.1973   87.291   -62.9295   82.367   15.406  7.4747  14.203  6.9700  1.202855       10.22022 
1 1 1 -28 -2  19 o 36.462  8.3487  249.441    72.270   272.875    103.629  227.251    100.840  31.397  11.007  28.274  10.706  3.123108       15.35486 
1 1 1 -28 -2  20 o 46.501  7.1540  364.975    78.132   351.361    109.761  378.960    111.243  36.499  11.265  38.527  11.218  -2.027840      15.89857 
1 1 1 -28 -2  21 f 31.025  8.9265  199.607    70.810   119.047    102.100  274.269    98.291   21.334  9.5575  32.305  10.733  -10.97050      14.37172 
1 1 1 -28 -2  22 o 44.197  7.3691  337.974    76.243   310.639    107.723  365.412    107.925  33.053  11.238  37.769  11.065  -4.716152      15.77064 
1 1 1 -28 -2  23 o 17.859  7.8773  52.522     66.666   41.521     94.380   63.476     94.180   17.870  8.4177  18.724  8.6836  -0.8538857     12.09397 
1 1 1 -28 -2  24 f 14.219  6.7845  -16.4054   65.231   74.032     92.098   -107.4450  92.405   19.045  8.7438  13.611  6.7988  5.434078       11.07600 
1 1 1 -28 -2  25 o 17.134  7.9554  37.228     79.367   13.934     94.914   91.384     144.721  16.724  8.0342  19.363  9.4461  -2.639227      12.40064 
1 1 1 -28 -2  26 o 17.666  8.2557  48.532     87.713   -42.2579   104.529  264.595    161.254  15.490  7.6493  22.977  10.878  -7.487903      13.29806 
1 1 1 -28 -2  27 o 14.619  7.1209  -28.5317   81.359   -115.3832  94.657   217.081    159.181  13.397  6.7194  21.551  10.366  -8.153840      12.35317 
1 1 1 -28 -2  28 o 18.446  8.0667  71.044     68.574   34.419     98.724   105.188    95.321   17.069  8.1983  19.722  8.9947  -2.653383      12.17028 
1 1 1 -28 -2  29 o 22.096  8.7000  122.478    68.514   161.593    96.526   82.763     97.265   22.242  9.6506  18.556  8.6788  3.685888       12.97905 
1 1 1 -28 -2  30 o 14.138  6.7511  -5.9873    64.865   -8.9962    89.678   -2.6861    93.935   15.244  7.4365  15.571  7.5991  -0.3264523     10.63245 
1 1 1 -28 -2  31 o 15.606  7.2152  29.599     64.272   81.905     92.001   -20.2652   89.827   18.169  8.4788  14.816  7.2726  3.352671       11.17050 
1 1 1 -28 -2  32 o 30.053  11.844  397.865    127.080  807.609    300.186  308.399    140.269  22.032  11.155  23.586  10.815  -1.554094      15.53685 
1 1 1 -28 -2  33 o 15.180  7.4905  -7.2805    99.509   -192.3105  252.392  26.775     108.281  ?       ?       16.158  7.9418  0.000000       7.941812 
1 1 1 -28 -2  34 o 14.826  6.9743  21.413     64.378   -35.9468   90.618   79.863     91.475   14.080  6.9834  17.461  8.2438  -3.380470      10.80408 
1 1 1 -28 -2  35 o 15.766  7.3226  42.477     67.339   73.998     94.679   10.209     95.793   17.048  8.1453  15.223  7.4798  1.825226       11.05864 
1 1 1 -28 -2  36 o 16.395  7.9155  57.552     94.987   57.552     94.987   0.0000     0.0000   16.395  7.9155  ?       ?       0.000000       7.915527 
1 1 1 -28 -2  37 o 16.993  8.1240  79.517     94.501   79.517     94.501   0.0000     0.0000   16.993  8.1240  ?       ?       0.000000       8.124024 
1 1 1 -28 -2  38 o 16.329  7.8817  60.075     94.039   60.075     94.039   0.0000     0.0000   16.329  7.8817  ?       ?       0.000000       7.881672 
1 1 1 -28 -2  39 o 12.844  6.4077  -59.3047   81.001   19.172     504.201  -61.3838   82.067   ?       ?       12.854  6.4190  0.000000       6.418960 
1 1 1 -28 -2  40 o 14.118  6.7260  12.092     63.592   57.904     93.568   -27.2348   86.692   16.267  7.8542  13.844  6.8598  2.423195       10.42813 
1 1 1 -28 -2  41 o 14.749  7.1278  15.623     77.499   49.478     90.706   -75.9128   149.148  16.044  7.7432  ?       ?       0.000000       7.743175 
1 1 1 -28 -2  42 o 11.020  5.5756  -131.9349  74.061   -88.0867   87.134   -246.0616  140.575  12.639  6.3533  ?       ?       0.000000       6.353259 
1 1 1 -28 -2  43 o 15.884  7.5964  47.590     82.755   34.961     97.330   80.538     157.215  15.637  7.6537  16.622  8.3781  -0.9846983     11.34775 
1 1 1 -28 -2  44 o 21.732  8.5733  139.559    66.651   150.488    100.078  130.848    89.350   19.092  8.8872  18.900  8.6533  0.1920738      12.40412 
1 1 1 -28 -2  45 o 14.610  6.9180  28.794     65.277   17.825     95.405   38.449     89.507   14.850  7.3287  15.305  7.4581  -0.4552727     10.45622 
1 1 1 -28 -2  46 o 11.983  6.0689  -110.6310  89.274   -310.5761  559.512  -105.4077  90.432   ?       ?       12.120  6.1349  0.000000       6.134902 
1 1 1 -28 -2  47 o 13.460  6.8065  -43.3292   109.453  948.963    570.816  -81.2058   111.522  ?       ?       13.005  6.6065  0.000000       6.606486 
1 1 1 -28 -1  1  o 22.371  6.9807  92.903     42.016   106.009    57.500   77.889     61.544   21.925  8.1291  19.095  7.9709  2.829903       11.38497 
1 1 1 -28 -1  2  o 19.983  6.8537  73.084     40.074   23.053     54.415   132.380    59.239   15.260  6.8944  24.725  8.3338  -9.464923      10.81597 
1 1 1 -28 -1  3  o 16.270  7.1657  36.718     54.965   -101.0882  138.978  62.270     59.844   15.734  7.9239  18.192  7.7407  -2.457705      11.07731 
1 1 1 -28 -1  4  o 10.860  5.1742  -25.4736   37.660   -43.0089   59.109   -13.4911   48.862   12.625  6.1311  12.870  6.0607  -0.2450132     8.621025 
1 1 1 -28 -1  5  o 17.581  6.8086  52.300     41.404   46.641     59.193   57.722     57.936   17.255  7.5215  18.055  7.6464  -0.7998848     10.72574 
1 1 1 -28 -1  6  o 20.396  7.8532  82.358     54.837   69.547     60.748   138.737    127.442  19.061  7.9348  21.201  9.9218  -2.139919      12.70443 
1 1 1 -28 -1  7  o 22.705  8.5043  111.021    63.246   93.069     71.053   179.508    138.780  20.696  8.5956  22.387  10.436  -1.690327      13.52000 
1 1 1 -28 -1  8  o 18.139  7.7797  55.371     61.326   53.085     68.355   64.802     138.853  18.086  7.9768  19.330  9.3898  -1.244219      12.32063 
1 1 1 -28 -1  9  o 29.273  7.3050  150.235    51.721   174.207    75.594   129.137    70.918   27.554  9.4135  23.877  8.9931  3.677195       13.01883 
1 1 1 -28 -1  10 o 17.513  6.9809  49.302     44.619   -8.2399    66.485   96.454     60.185   14.891  7.0300  21.772  8.2646  -6.880605      10.85004 
1 1 1 -28 -1  11 o 25.973  7.5427  122.522    50.348   135.373    68.752   107.659    73.937   24.850  8.9395  21.990  8.9089  2.860241       12.62072 
1 1 1 -28 -1  12 o 17.805  7.3040  50.994     50.459   -52.9750   71.567   153.765    71.154   13.681  6.6672  26.424  9.1285  -12.74259      11.30404 
1 1 1 -28 -1  13 o 23.143  9.6572  135.674    90.295   92.582     215.393  144.861    99.456   20.410  10.222  23.189  9.9254  -2.778652      14.24815 
1 1 1 -28 -1  14 o 13.822  6.8215  -80.0221   82.651   0.0000     0.0000   -80.0221   82.651   ?       ?       13.822  6.8215  0.000000       6.821501 
1 1 1 -28 -1  15 o 14.705  7.1336  -40.3650   79.448   -195.2398  178.755  -2.2408    88.689   16.575  8.4145  16.507  7.8859  0.6766510E-01  11.53219 
1 1 1 -28 -1  16 o 31.094  8.1931  181.566    62.682   181.090    86.524   182.093    90.930   26.862  9.9694  26.389  10.125  0.4727135      14.20902 
1 1 1 -28 -1  17 o 20.601  8.1456  83.245     60.294   50.687     80.229   125.497    91.395   18.364  8.3275  22.397  9.5487  -4.032436      12.66987 
1 1 1 -28 -1  18 o 29.484  8.6681  174.771    66.131   181.089    89.031   166.995    98.773   26.416  10.046  24.436  10.140  1.980101       14.27406 
1 1 1 -28 -1  19 o 21.024  8.3199  90.281     62.952   145.556    83.673   18.182     95.563   24.120  9.5770  17.367  8.2660  6.752323       12.65090 
1 1 1 -28 -1  20 o 27.558  8.8233  160.243    66.737   219.694    89.749   86.715     99.810   29.332  10.245  19.997  9.1521  9.334629       13.73787 
1 1 1 -28 -1  21 o 20.512  8.2681  86.237     63.337   138.413    86.168   24.917     93.414   23.180  9.5309  17.403  8.2504  5.777115       12.60580 
1 1 1 -28 -1  22 o 18.647  7.9778  63.589     64.200   -8.6351    87.654   147.167    94.293   15.962  7.6810  23.042  9.7566  -7.080750      12.41727 
1 1 1 -28 -1  23 o 14.308  6.7769  -10.7960   62.726   80.472     85.657   -116.3316  92.109   19.469  8.7359  13.457  6.7318  6.012225       11.02877 
1 1 1 -28 -1  24 o 22.905  8.6797  119.345    66.310   -34.3262   89.814   303.490    98.316   15.149  7.4014  34.096  10.685  -18.94657      12.99796 
1 1 1 -28 -1  25 o 13.339  6.5244  -50.5527   70.379   -56.5995   81.246   -32.3763   140.861  13.956  6.8637  16.911  8.4390  -2.954630      10.87784 
1 1 1 -28 -1  26 f 15.355  7.3044  2.2630     74.433   -45.1521   86.041   143.275    148.381  14.480  7.1096  20.245  9.8037  -5.764522      12.11026 
1 1 1 -28 -1  27 o 22.766  8.8679  128.661    70.550   104.139    95.162   158.587    105.127  19.814  9.0175  21.936  9.7717  -2.121338      13.29667 
1 1 1 -28 -1  28 o 13.983  6.7316  -18.4048   67.497   -79.8289   90.633   58.084     101.138  13.745  6.8447  17.801  8.4810  -4.055816      10.89850 
1 1 1 -28 -1  29 o 18.701  8.1566  78.805     69.698   93.926     95.819   61.815     101.568  18.947  8.7773  17.744  8.4662  1.203310       12.19501 
1 1 1 -28 -1  30 o 11.139  5.5712  -96.5735   62.952   -89.0239   86.778   -104.9600  91.461   13.139  6.5669  13.112  6.5802  0.2741718E-01  9.296430 
1 1 1 -28 -1  31 o 15.641  7.6797  0.2015     100.425  73.078     279.012  -10.6449   107.640  ?       ?       15.587  7.7093  0.000000       7.709306 
1 1 1 -28 -1  32 o 14.957  7.4074  -22.8328   100.562  165.797    270.492  -53.0861   108.327  ?       ?       14.619  7.3112  0.000000       7.311157 
1 1 1 -28 -1  33 o 17.425  8.4100  79.132     107.006  97.954     279.444  75.897     115.836  ?       ?       17.298  8.4414  0.000000       8.441367 
1 1 1 -28 -1  34 f 17.314  7.7664  70.193     67.645   69.384     95.697   71.000     95.632   16.993  8.1379  17.045  8.1555  -0.5203056E-01 11.52116 
1 1 1 -28 -1  35 o 22.156  9.8254  215.331    105.095  215.331    105.095  0.0000     0.0000   22.156  9.8254  ?       ?       0.000000       9.825406 
1 1 1 -28 -1  36 o 19.394  9.0123  151.344    102.202  151.344    102.202  0.0000     0.0000   19.394  9.0123  ?       ?       0.000000       9.012321 
1 1 1 -28 -1  37 o 13.920  6.9324  -35.6441   93.092   -35.6441   93.092   0.0000     0.0000   13.920  6.9324  ?       ?       0.000000       6.932426 
1 1 1 -28 -1  38 o 22.505  9.7907  218.426    99.877   318.207    512.525  214.487    101.829  ?       ?       22.051  9.7303  0.000000       9.730313 
1 1 1 -28 -1  39 o 12.057  5.9435  -43.8997   62.128   -24.5479   92.119   -60.0459   84.144   14.096  6.9998  12.996  6.4913  1.099951       9.546449 
1 1 1 -28 -1  40 o 11.839  5.8277  -43.6427   59.029   40.125     84.074   -125.0842  82.898   15.667  7.5353  11.729  5.9307  3.938228       9.589279 
1 1 1 -28 -1  41 o 17.666  8.2402  92.887     86.740   29.885     101.769  260.204    165.848  15.641  7.6901  19.278  9.5409  -3.636786      12.25423 
1 1 1 -28 -1  42 o 13.314  6.5969  -38.5115   80.097   -3.4394    93.744   -133.3514  154.156  14.667  7.2434  ?       ?       0.000000       7.243407 
1 1 1 -28 -1  43 o 17.360  7.7554  77.558     66.726   74.630     99.085   79.988     90.261   16.681  8.0612  16.947  8.0565  -0.2659492     11.39695 
1 1 1 -28 -1  44 f 14.516  6.8773  24.537     64.694   113.696    95.450   -51.2225   87.986   17.806  8.4112  13.218  6.6072  4.588344       10.69594 
1 1 1 -28 -1  45 o 13.870  6.8745  -11.7449   87.259   -240.6246  508.636  -4.8044    88.572   ?       ?       14.070  6.9652  0.000000       6.965200 
1 1 1 -28 -1  46 o 18.150  8.6587  163.749    106.161  170.688    525.194  163.453    108.398  ?       ?       18.021  8.6383  0.000000       8.638350 
1 1 1 -28 0   1  o 13.276  5.8606  13.013     36.979   60.306     49.976   -44.2088   54.973   17.975  7.3091  12.045  5.8642  5.929515       9.370803 
1 1 1 -28 0   2  o 18.765  7.5122  67.987     51.895   77.361     110.384  65.327     58.798   18.798  8.9285  18.389  7.7407  0.4096718      11.81685 
1 1 1 -28 0   3  o 13.668  6.0066  14.838     38.437   -2.6621    52.094   35.748     56.944   13.723  6.3959  16.328  7.2370  -2.605330      9.658247 
1 1 1 -28 0   4  o 10.184  4.8789  -29.2013   34.467   -40.4995   49.317   -18.4134   48.190   11.703  5.6634  12.575  5.9512  -0.8717747     8.215278 
1 1 1 -28 0   5  o 11.152  5.4167  -45.2811   46.178   -43.8650   50.121   -53.2340   118.779  11.697  5.6724  16.087  7.9817  -4.390803      9.791987 
1 1 1 -28 0   6  o 19.647  8.0636  76.279     61.538   38.954     69.367   214.196    133.340  17.186  7.7726  23.823  10.775  -6.637476      13.28614 
1 1 1 -28 0   7  o 22.241  8.7573  110.610    69.417   77.354     80.106   210.880    139.097  19.552  8.6288  23.567  10.793  -4.014626      13.81792 
1 1 1 -28 0   8  o 17.096  7.0723  44.972     47.830   97.008     80.097   16.134     59.628   20.832  8.9118  15.583  7.1097  5.249034       11.40038 
1 1 1 -28 0   9  o 11.974  5.6405  -19.5022   42.374   -16.2366   76.825   -20.9300   50.800   15.262  7.3044  12.900  6.1065  2.362665       9.520661 
1 1 1 -28 0   10 o 14.551  6.6476  6.3272     52.346   -13.8796   81.173   20.712     68.489   15.647  7.4938  16.403  7.5345  -0.7560415     10.62666 
1 1 1 -28 0   11 o 12.840  6.0840  -22.5767   50.656   -31.0060   79.866   -16.9032   65.522   15.012  7.2501  14.492  6.8819  0.5198574      9.996250 
1 1 1 -28 0   12 o 16.912  7.8060  23.992     74.774   4.8086     182.279  27.873     81.990   19.034  9.5137  17.377  8.0740  1.656294       12.47799 
1 1 1 -28 0   13 o 16.439  7.7844  3.7661     82.686   62.244     235.171  -4.4829    88.326   20.138  10.162  16.419  7.8509  3.718590       12.84137 
1 1 1 -28 0   14 o 13.787  6.7672  -67.3207   77.787   -67.3011   178.859  -67.3252   86.385   18.038  9.0718  14.426  7.0913  3.611980       11.51457 
1 1 1 -28 0   15 o 17.225  7.4171  41.947     56.147   79.147     77.115   -0.0202    81.908   19.994  8.6506  16.253  7.7114  3.740866       11.58870 
1 1 1 -28 0   16 o 20.707  8.1827  84.370     60.811   117.962    85.618   50.174     86.385   22.223  9.3470  18.491  8.4818  3.731285       12.62172 
1 1 1 -28 0   17 o 17.048  7.5294  37.358     61.105   -7.2892    84.872   85.407     88.046   16.103  7.6986  20.200  8.9738  -4.097176      11.82359 
1 1 1 -28 0   18 o 12.348  5.9952  -48.7651   56.428   -59.0331   75.988   -36.1418   84.253   13.826  6.7661  15.096  7.3288  -1.270497      9.974569 
1 1 1 -28 0   19 o 21.090  8.3745  91.839     63.983   122.564    86.055   53.857     95.679   22.303  9.3754  18.666  8.6893  3.636932       12.78282 
1 1 1 -28 0   20 o 21.806  8.5607  102.336    66.154   74.202     88.010   138.880    100.303  19.422  8.7722  22.455  9.7896  -3.032797      13.14484 
1 1 1 -28 0   21 o 14.377  6.7247  -3.8433    58.418   98.617     76.716   -145.2545  90.126   20.913  8.8247  12.848  6.4588  8.065058       10.93578 
1 1 1 -28 0   22 o 12.832  6.2276  -44.3068   60.702   79.903     80.249   -210.4206  92.804   19.557  8.6334  11.971  6.0761  7.585340       10.55718 
1 1 1 -28 0   23 o 12.758  6.1848  -41.8018   59.440   -27.9572   77.887   -61.1109   91.983   14.692  7.1119  14.624  7.2133  0.6833172E-01  10.12968 
1 1 1 -28 0   24 o 17.714  8.2926  45.041     89.168   45.041     89.168   0.0000     0.0000   17.714  8.2926  ?       ?       0.000000       8.292588 
1 1 1 -28 0   25 f 19.003  8.5208  77.189     81.348   70.535     92.504   99.894     170.868  18.651  8.6345  19.328  9.5867  -0.6768074     12.90193 
1 1 1 -28 0   26 o 28.354  10.325  231.418    92.106   238.191    105.667  209.996    187.931  26.549  10.687  20.723  10.238  5.825317       14.79986 
1 1 1 -28 0   27 o 11.947  5.8823  -62.2682   60.252   -75.9633   79.670   -43.9685   92.094   13.176  6.5373  14.696  7.2429  -1.519811      9.756859 
1 1 1 -28 0   28 o 15.797  7.3536  24.881     68.530   40.174     94.530   7.9401     99.493   17.058  8.1468  16.200  7.8875  0.8572655      11.33946 
1 1 1 -28 0   29 o 62.617  6.3604  658.315    95.295   690.436    134.058  625.506    135.488  51.858  10.995  46.007  12.009  5.850880       16.28201 
1 1 1 -28 0   30 o 14.670  7.0034  2.9351     69.703   -72.8792   93.182   99.250     105.027  13.785  6.8765  18.668  8.8198  -4.883470      11.18371 
1 1 1 -28 0   31 o 68.341  12.005  1348.70    191.802  2275.32    396.128  1064.93    219.212  29.083  14.454  37.695  15.316  -8.612417      21.05940 
1 1 1 -28 0   32 o ?       ?       -213.1290  114.160  0.0000     0.0000   -213.1290  114.160  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 0   33 o 14.858  7.0577  17.905     68.997   -9.4513    94.831   48.675     100.575  14.868  7.3318  16.477  8.0011  -1.609777      10.85231 
1 1 1 -28 0   34 o 17.001  7.9987  69.816     84.742   -0.2994    96.924   297.332    174.595  15.016  7.4061  19.974  9.8680  -4.958547      12.33810 
1 1 1 -28 0   35 o 22.575  10.004  235.113    108.746  235.113    108.746  0.0000     0.0000   22.575  10.004  ?       ?       0.000000       10.00360 
1 1 1 -28 0   36 o 19.240  8.8582  139.481    95.436   139.481    95.436   0.0000     0.0000   19.240  8.8582  ?       ?       0.000000       8.858176 
1 1 1 -28 0   37 o 40.585  8.4274  360.362    80.276   359.528    110.394  361.299    116.943  29.250  11.171  27.637  11.202  1.613146       15.82009 
1 1 1 -28 0   38 o 14.476  7.1120  -1.2036    86.535   95.186     471.089  -4.5696    88.033   ?       ?       14.435  7.1077  0.000000       7.107691 
1 1 1 -28 0   39 f 21.158  8.5111  130.425    66.964   65.767     97.104   189.057    92.468   16.507  7.9779  21.868  9.4671  -5.361401      12.38029 
1 1 1 -28 0   40 o 11.362  5.7214  -106.0575  72.365   -37.7163   82.550   -332.8790  150.390  13.452  6.6707  ?       ?       0.000000       6.670664 
1 1 1 -28 0   41 o 14.515  7.0519  6.8690     78.404   18.994     89.659   -32.5334   161.628  15.163  7.4054  ?       ?       0.000000       7.405385 
1 1 1 -28 0   42 o 14.554  6.8917  21.247     64.796   31.303     97.756   13.366     86.538   15.566  7.6296  14.885  7.2710  0.6804790      10.53933 
1 1 1 -28 0   43 o 16.985  7.5088  69.684     60.919   -15.8153   89.478   143.556    83.172   14.112  6.9887  20.034  8.8192  -5.921213      11.25256 
1 1 1 -28 0   44 o 11.142  5.5662  -72.3562   62.027   -55.1066   91.872   -86.8052   84.083   13.229  6.6330  12.281  6.1822  0.9475861      9.067304 
1 1 1 -28 0   45 o 15.741  7.7767  65.399     108.406  332.364    520.781  53.308     110.834  ?       ?       15.486  7.6877  0.000000       7.687739 
1 1 1 -28 0   46 o 15.325  7.6102  65.056     108.925  396.458    530.178  50.451     111.299  ?       ?       15.039  7.5044  0.000000       7.504439 
1 1 1 -28 1   1  o 14.874  6.6426  21.807     48.912   -50.7261   89.475   52.719     58.412   14.477  7.1356  17.380  7.5241  -2.902937      10.36966 
1 1 1 -28 1   2  o 13.775  5.9983  17.313     37.558   13.831     51.458   21.283     54.944   14.589  6.6361  15.265  6.9096  -0.6761761     9.580210 
1 1 1 -28 1   3  o 18.144  6.7585  57.349     39.837   -25.1935   59.152   125.863    53.891   13.316  6.3824  25.183  7.9137  -11.86740      10.16675 
1 1 1 -28 1   4  o 14.845  6.8798  6.9285     58.953   0.6024     66.858   29.036     124.983  15.057  7.0905  17.974  8.7705  -2.916796      11.27815 
1 1 1 -28 1   5  o 16.221  7.4731  22.394     68.064   -21.0961   81.067   126.296    125.302  15.164  7.3189  20.844  9.7810  -5.679607      12.21612 
1 1 1 -28 1   6  o 16.598  7.6631  24.957     72.131   25.177     85.813   24.426     133.151  17.121  8.0532  18.244  8.9341  -1.123098      12.02801 
1 1 1 -28 1   7  o 19.479  7.5377  69.925     50.717   72.015     79.017   68.460     66.138   19.291  8.5390  19.100  8.1325  0.1916447      11.79201 
1 1 1 -28 1   8  o 27.568  7.8553  142.189    55.092   224.063    88.759   90.879     70.265   29.969  10.200  20.742  8.5756  9.227112       13.32631 
1 1 1 -28 1   9  o 13.500  6.3040  -9.7685    50.997   -61.1101   76.625   31.056     68.327   13.808  6.7651  16.916  7.6764  -3.108692      10.23197 
1 1 1 -28 1   10 o 22.748  8.3834  106.333    60.978   95.840     92.750   114.320    80.925   20.671  9.1955  22.133  9.1813  -1.462214      12.99436 
1 1 1 -28 1   11 o 23.710  8.5459  117.090    62.860   150.571    87.922   82.080     89.907   24.302  9.7607  20.044  8.9750  4.257561       13.25975 
1 1 1 -28 1   12 o 22.949  9.5750  131.245    88.748   284.789    242.954  107.602    95.337   22.659  11.271  21.312  9.4090  1.347887       14.68226 
1 1 1 -28 1   13 o 14.970  7.2026  -27.2917   77.006   -6.5993    239.452  -29.6786   81.326   19.491  9.8787  15.178  7.3268  4.313572       12.29919 
1 1 1 -28 1   14 o 19.786  7.9464  73.035     58.271   138.262    85.544   16.569     79.592   23.646  9.5818  16.802  7.8559  6.844635       12.39051 
1 1 1 -28 1   15 o 20.303  8.1597  79.986     61.489   90.717     87.421   69.479     86.503   20.540  9.0420  19.425  8.7421  1.115732       12.57703 
1 1 1 -28 1   16 o 11.905  5.7819  -49.4650   52.589   -119.3942  74.981   18.239     73.779   12.227  6.1102  16.572  7.6859  -4.345018      9.818766 
1 1 1 -28 1   17 o 17.423  7.5743  43.958     59.684   38.549     83.296   49.665     85.561   17.829  8.2326  18.389  8.4372  -0.5598774     11.78823 
1 1 1 -28 1   18 o 14.592  6.8177  -3.5116    59.765   -53.5519   80.663   57.395     88.991   14.318  6.9995  18.744  8.6017  -4.425379      11.08974 
1 1 1 -28 1   19 o 24.508  8.7996  131.104    66.587   80.392     90.641   190.556    98.142   19.754  8.9142  25.830  10.334  -6.075676      13.64766 
1 1 1 -28 1   20 o 32.274  8.7301  209.257    70.018   311.504    96.267   94.417     102.024  36.228  10.404  20.212  9.2513  16.01604       13.92198 
1 1 1 -28 1   21 o 13.843  6.5608  -15.6441   58.986   -14.9288   77.609   -16.6225   90.764   15.211  7.2959  15.863  7.6783  -0.6524630     10.59184 
1 1 1 -28 1   22 o 15.576  7.1460  17.089     61.356   9.6756     80.932   27.107     94.086   16.220  7.6866  17.322  8.2319  -1.102268      11.26269 
1 1 1 -28 1   23 o 19.610  8.5294  82.998     75.766   94.597     86.433   44.511     157.439  20.067  8.9041  18.617  9.2285  1.450167       12.82370 
1 1 1 -28 1   24 o 19.271  8.6248  81.324     82.931   38.231     94.331   228.000    174.032  17.489  8.2911  21.785  10.566  -4.295767      13.43062 
1 1 1 -28 1   25 o 14.949  7.2015  -13.5852   77.590   -34.7373   87.644   63.069     166.844  14.849  7.2669  18.625  9.2765  -3.775151      11.78391 
1 1 1 -28 1   26 o 15.229  7.1273  12.011     65.774   -49.6685   88.365   88.643     98.495   14.404  7.0981  19.095  8.8644  -4.690557      11.35611 
1 1 1 -28 1   27 o 18.638  8.1752  75.495     70.907   76.805     98.192   74.066     102.501  18.453  8.6589  18.341  8.6800  0.1114616      12.26048 
1 1 1 -28 1   28 o 30.414  9.6340  232.851    79.727   254.231    109.073  208.322    116.828  26.094  10.725  22.805  10.220  3.289265       14.81464 
1 1 1 -28 1   29 o 13.761  6.6483  -19.0958   67.303   69.373     92.434   -118.9254  98.189   17.805  8.3698  13.250  6.6714  4.554962       10.70334 
1 1 1 -28 1   30 o 38.670  13.240  623.903    149.542  435.161    340.893  668.878    166.408  ?       ?       35.637  13.691  0.000000       13.69082 
1 1 1 -28 1   31 o 16.419  8.1125  27.277     118.107  202.489    321.796  0.0003     126.968  ?       ?       16.032  8.0024  0.000000       8.002371 
1 1 1 -28 1   32 o 15.911  7.8949  12.883     116.300  95.155     306.071  -1.0003    125.730  ?       ?       15.810  7.9023  0.000000       7.902265 
1 1 1 -28 1   33 o 16.107  7.7167  43.480     86.261   42.428     98.816   46.848     176.829  16.197  7.8802  16.678  8.4569  -0.4813499     11.55930 
1 1 1 -28 1   34 o 16.057  7.8348  42.036     99.714   42.036     99.714   0.0000     0.0000   16.057  7.8348  ?       ?       0.000000       7.834788 
1 1 1 -28 1   35 o 17.460  8.3910  96.685     103.775  96.685     103.775  0.0000     0.0000   17.460  8.3910  ?       ?       0.000000       8.391034 
1 1 1 -28 1   36 o 13.181  6.4226  -17.4310   66.369   7.2666     87.326   -51.2078   102.123  14.752  7.2266  13.938  6.9891  0.8143549      10.05339 
1 1 1 -28 1   37 o 18.138  8.4877  112.440    93.250   522.272    368.173  84.348     96.393   ?       ?       17.063  8.1704  0.000000       8.170418 
1 1 1 -28 1   38 o 14.425  6.8433  18.775     64.487   -107.3190  97.812   115.725    85.767   12.810  6.4740  18.600  8.5018  -5.790057      10.68614 
1 1 1 -28 1   39 o 13.510  6.4970  -1.9847    62.450   -11.2845   95.876   4.8684     82.304   14.523  7.1996  14.534  7.0975  -0.1098061E-01 10.10981 
1 1 1 -28 1   40 o 20.438  9.0189  152.054    87.492   113.641    100.609  271.230    177.210  18.046  8.5574  19.068  9.5073  -1.021793      12.79135 
1 1 1 -28 1   41 f 14.954  7.2832  16.100     85.042   3.4945     99.157   51.163     165.372  14.955  7.3972  16.331  8.2698  -1.375716      11.09543 
1 1 1 -28 1   42 o 14.985  6.9672  33.717     61.212   146.720    90.722   -60.7182   82.934   19.689  8.8982  12.889  6.4388  6.799323       10.98345 
1 1 1 -28 1   43 f 21.112  8.5945  138.299    69.197   41.109     102.575  219.467    93.740   15.608  7.6829  22.972  9.7274  -7.363622      12.39552 
1 1 1 -28 1   44 o 16.564  8.0210  88.314     99.319   132.640    513.653  86.592     101.230  ?       ?       16.487  8.0108  0.000000       8.010796 
1 1 1 -28 1   45 o 16.352  7.9132  92.947     96.273   -796.0082  519.240  124.595    97.971   ?       ?       17.275  8.2626  0.000000       8.262600 
1 1 1 -28 2   1  o 10.478  5.0582  -35.2720   38.773   -21.8457   54.074   -49.4806   55.627   12.900  6.1611  11.966  5.8415  0.9339981      8.490117 
1 1 1 -28 2   2  o 11.393  5.3537  -15.9518   37.761   28.262     68.545   -35.2165   45.245   16.310  7.5085  11.388  5.4895  4.921524       9.301184 
1 1 1 -28 2   3  o 16.332  7.4046  30.746     63.398   28.585     72.401   37.850     131.271  16.564  7.6580  18.175  8.8942  -1.610678      11.73677 
1 1 1 -28 2   4  o 19.743  8.6218  84.401     78.095   143.460    92.935   -57.5153   144.064  22.688  9.6497  16.795  8.4041  5.892729       12.79636 
1 1 1 -28 2   5  o 16.949  7.8161  31.360     74.712   84.481     89.166   -93.8186   136.876  19.723  8.8761  16.108  8.0793  3.615181       12.00252 
1 1 1 -28 2   6  o 23.980  7.9387  112.812    53.790   129.771    80.781   99.304     72.097   22.905  9.3007  21.149  8.7096  1.755564       12.74208 
1 1 1 -28 2   7  o 30.063  7.6322  163.413    55.772   107.102    82.459   210.894    75.719   21.362  9.0879  31.230  9.2993  -9.868055      13.00253 
1 1 1 -28 2   8  o 42.398  6.4690  288.393    64.442   279.278    90.602   297.725    91.675   34.859  10.117  36.402  10.049  -1.543228      14.25963 
1 1 1 -28 2   9  o 46.349  6.4324  342.724    70.389   372.713    103.327  316.756    96.150   40.507  10.445  37.205  10.300  3.301765       14.66946 
1 1 1 -28 2   10 o 11.692  5.6768  -48.5097   50.588   -58.5240   64.853   -32.9476   80.846   12.882  6.2929  14.996  7.2555  -2.113542      9.604320 
1 1 1 -28 2   11 o 11.009  5.5227  -125.5896  64.087   -156.2163  211.337  -122.4880  67.254   17.701  9.0021  11.411  5.7148  6.290282       10.66289 
1 1 1 -28 2   12 o 21.368  9.1763  104.478    85.507   324.349    245.012  73.985     91.244   23.110  11.466  19.652  8.8990  3.457735       14.51379 
1 1 1 -28 2   13 o 21.573  8.7807  100.413    72.214   -269.5418  249.051  134.372    75.455   ?       ?       24.132  9.2313  0.000000       9.231344 
1 1 1 -28 2   14 o 18.497  7.8244  57.833     60.548   -100.9897  89.551   191.583    82.180   13.823  6.8705  28.417  9.8107  -14.59410      11.97722 
1 1 1 -28 2   15 o 15.925  7.1471  22.624     57.362   44.803     81.164   0.4896     81.081   18.091  8.2697  16.191  7.6790  1.899874       11.28517 
1 1 1 -28 2   16 o 12.395  5.9974  -44.2375   55.245   14.071     78.366   -101.8430  77.892   16.575  7.7641  12.867  6.3971  3.707935       10.06002 
1 1 1 -28 2   17 o 36.658  8.0517  245.230    69.658   271.628    97.603   217.827    99.446   32.568  10.690  27.780  10.605  4.788031       15.05744 
1 1 1 -28 2   18 o 43.465  7.2235  320.692    73.507   295.513    103.555  346.264    104.360  33.181  11.016  37.524  10.848  -4.342514      15.46128 
1 1 1 -28 2   19 o 39.659  8.1416  289.654    75.722   324.546    102.543  247.813    112.293  35.814  10.858  27.779  11.074  8.035343       15.50898 
1 1 1 -28 2   20 o 41.373  7.8112  307.326    75.540   346.510    104.685  264.758    109.112  36.989  10.915  29.217  11.119  7.772060       15.58096 
1 1 1 -28 2   21 o 21.901  8.6498  107.633    67.917   46.726     93.071   177.014    99.334   18.046  8.4558  24.359  10.144  -6.312798      13.20595 
1 1 1 -28 2   22 o 15.103  7.0191  8.1650     62.032   30.097     83.160   -19.3480   93.141   17.046  7.9890  15.758  7.6627  1.288116       11.06983 
1 1 1 -28 2   23 o 14.835  7.2171  -29.9540   82.854   -6.1926    95.313   -103.4395  167.617  16.132  7.8233  16.615  8.4040  -0.4823570     11.48177 
1 1 1 -28 2   24 o 11.586  5.8192  -125.5140  72.266   -117.9378  80.983   -155.1297  160.115  12.468  6.2479  15.721  7.9794  -3.253585      10.13448 
1 1 1 -28 2   25 o 13.957  6.7039  -19.3466   66.040   18.129     89.099   -65.0342   98.378   16.445  7.8692  14.608  7.2505  1.836807       10.70022 
1 1 1 -28 2   26 o 15.386  7.2717  10.769     71.500   -72.8074   101.330  93.643     100.904  14.492  7.2199  19.135  8.9129  -4.643543      11.47026 
1 1 1 -28 2   27 o 25.728  9.6347  185.148    81.171   203.419    111.993  164.929    117.815  23.103  10.199  21.088  9.7563  2.014723       14.11397 
1 1 1 -28 2   28 f 14.722  7.0273  1.3443     70.132   -32.7399   98.794   35.969     99.574   15.002  7.4136  16.807  8.1118  -1.805273      10.98922 
1 1 1 -28 2   29 f 18.751  9.0653  114.346    125.622  244.261    300.861  86.914     138.250  ?       ?       18.019  8.8792  0.000000       8.879247 
1 1 1 -28 2   30 o 21.142  9.9605  216.957    132.220  145.279    314.404  232.357    145.733  ?       ?       20.863  10.005  0.000000       10.00459 
1 1 1 -28 2   31 o 15.145  7.5588  -27.1144   113.150  115.287    299.846  -50.7598   122.184  ?       ?       14.988  7.5327  0.000000       7.532702 
1 1 1 -28 2   32 o 16.189  7.7459  44.216     86.277   2.5669     98.935   176.454    176.290  15.242  7.5109  18.309  9.1814  -3.067452      11.86221 
1 1 1 -28 2   33 f 16.693  8.0975  63.348     102.316  63.348     102.316  0.0000     0.0000   16.693  8.0975  ?       ?       0.000000       8.097451 
1 1 1 -28 2   34 o 14.673  7.2617  -8.8254    96.012   -8.8254    96.012   0.0000     0.0000   14.673  7.2617  ?       ?       0.000000       7.261699 
1 1 1 -28 2   35 o 10.872  5.4990  -129.5918  71.683   -131.0927  89.498   -126.9058  119.726  12.040  6.0956  13.455  6.8363  -1.415174      9.159232 
1 1 1 -28 2   36 o 14.079  6.9962  -26.2108   92.663   -177.1722  327.491  -13.0730   96.611   ?       ?       14.487  7.1895  0.000000       7.189518 
1 1 1 -28 2   37 o 16.927  7.5112  67.426     61.513   56.866     92.689   75.738     82.232   16.207  7.8232  16.943  7.9418  -0.7357292     11.14784 
1 1 1 -28 2   38 o 16.172  7.4025  55.065     65.332   -3.3278    98.763   100.498    87.117   14.756  7.3137  17.876  8.3114  -3.120170      11.07115 
1 1 1 -28 2   39 o 12.710  6.3332  -59.5309   78.098   -39.2603   89.643   -123.3762  159.092  13.716  6.8263  ?       ?       0.000000       6.826285 
1 1 1 -28 2   40 o 14.200  6.9875  -11.0704   84.609   -43.9223   98.923   78.454     163.299  13.978  6.9900  16.660  8.4144  -2.681911      10.93903 
1 1 1 -28 2   41 o 13.080  6.3106  -9.3175    60.123   -43.7896   85.906   23.779     84.175   13.424  6.6813  15.116  7.3355  -1.692564      9.922158 
1 1 1 -28 2   42 f 12.118  5.9751  -41.3382   62.910   17.719     93.332   -90.5113   85.164   14.998  7.3721  12.371  6.2267  2.626730       9.649817 
1 1 1 -28 2   43 o 13.473  6.5148  0.2796     64.946   18.903     96.367   -15.2181   87.909   14.883  7.3488  13.891  6.8877  0.9919624      10.07198 
1 1 1 -28 2   44 o 12.468  6.3007  -88.6018   92.445   0.0000     0.0000   -88.6018   92.445   ?       ?       12.468  6.3007  0.000000       6.300669 
1 1 1 -28 2   45 o 14.928  7.3723  48.081     97.149   0.0000     0.0000   48.081     97.149   ?       ?       14.928  7.3723  0.000000       7.372313 
1 1 1 -28 3   1  f 30.502  6.5959  157.279    47.395   69.432     71.427   226.385    63.351   18.554  8.1701  35.050  7.6628  -16.49629      11.20132 
1 1 1 -28 3   2  o 15.971  7.4137  20.746     68.863   20.746     68.863   0.0000     0.0000   15.971  7.4137  ?       ?       0.000000       7.413653 
1 1 1 -28 3   3  o 20.625  8.3510  92.461     64.924   82.600     73.072   129.422    141.475  19.620  8.4548  20.403  9.8036  -0.7833519     12.94583 
1 1 1 -28 3   4  o 28.818  9.3908  191.707    75.378   190.095    86.038   197.029    156.342  26.799  9.9423  22.022  10.507  4.776693       14.46502 
1 1 1 -28 3   5  o 30.099  7.2889  159.852    52.667   166.221    73.942   153.294    75.034   26.680  9.3006  25.295  9.3029  1.385000       13.15471 
1 1 1 -28 3   6  o 23.355  7.6548  103.732    50.057   99.782     70.592   107.728    70.994   21.258  8.6703  21.866  8.7749  -0.6084194     12.33584 
1 1 1 -28 3   7  o 28.194  8.0655  152.181    57.962   157.166    76.531   145.474    88.765   25.701  9.4039  23.539  9.6754  2.162550       13.49248 
1 1 1 -28 3   8  o 33.710  7.5334  200.194    60.067   213.929    83.559   185.507    86.409   30.013  9.8926  26.951  9.9706  3.062214       14.04545 
1 1 1 -28 3   9  o 26.007  8.6642  141.253    64.034   144.190    83.462   137.051    99.839   24.046  9.5596  22.540  9.7973  1.506767       13.68844 
1 1 1 -28 3   10 o 31.210  10.581  250.432    95.502   410.266    214.507  210.919    106.655  25.496  12.203  26.473  10.709  -0.9768009     16.23549 
1 1 1 -28 3   11 o 20.211  8.8673  85.181     83.464   69.550     204.348  88.311     91.439   19.993  10.005  20.299  9.0728  -0.3063145     13.50614 
1 1 1 -28 3   12 o 17.259  7.9125  31.752     75.050   140.370    242.745  20.273     78.916   20.839  10.492  16.884  7.8701  3.955200       13.11534 
1 1 1 -28 3   13 o 27.591  8.6140  154.484    63.967   92.921     96.980   201.894    85.105   20.480  9.2330  28.821  9.9819  -8.340719      13.59729 
1 1 1 -28 3   14 o 18.056  7.6996  52.711     59.447   22.026     87.247   79.302     81.218   17.269  8.1223  19.883  8.7349  -2.613922      11.92765 
1 1 1 -28 3   15 o 27.911  8.7419  160.716    65.821   158.906    94.550   162.417    91.687   24.208  9.9723  24.691  9.9496  -0.4825172     14.08688 
1 1 1 -28 3   16 o 23.421  8.6188  117.149    64.417   184.447    91.769   51.784     90.443   26.224  10.142  18.508  8.5573  7.716377       13.26968 
1 1 1 -28 3   17 o 28.603  8.9428  173.302    68.916   173.964    95.211   172.574    99.881   24.993  10.115  24.483  10.182  0.5096645      14.35209 
1 1 1 -28 3   18 o 32.466  8.6986  210.549    69.907   230.285    98.684   190.669    99.045   28.548  10.637  25.611  10.334  2.937407       14.82984 
1 1 1 -28 3   19 o 19.462  8.0565  73.822     62.128   72.476     86.111   75.284     89.725   19.209  8.6763  19.343  8.7848  -0.1341476     12.34710 
1 1 1 -28 3   20 o 21.410  8.6324  102.483    69.061   122.071    93.999   79.508     101.802  21.517  9.4261  19.403  9.0090  2.114136       13.03891 
1 1 1 -28 3   21 o 41.902  7.8523  319.576    76.903   305.504    104.496  336.203    113.585  32.849  11.068  33.180  11.529  -0.3316460     15.98250 
1 1 1 -28 3   22 o 15.397  7.4406  -14.8819   84.402   -16.4317   97.606   -10.2876   168.049  15.954  7.7775  17.812  8.9364  -1.857574      11.84690 
1 1 1 -28 3   23 o 24.946  10.202  194.214    98.080   277.088    114.345  -36.5344   190.799  28.061  11.179  17.651  8.9324  10.40972       14.30908 
1 1 1 -28 3   24 o 26.188  10.416  218.766    99.118   177.579    115.242  335.840    194.293  22.338  10.068  22.795  11.081  -0.4572144     14.97181 
1 1 1 -28 3   25 o 15.413  7.2420  13.487     69.064   -85.4487   88.720   165.641    110.024  13.560  6.7556  21.860  9.8467  -8.299911      11.94134 
1 1 1 -28 3   26 o 26.641  9.5966  190.769    79.257   143.503    112.070  238.062    112.102  20.589  9.5218  24.963  10.607  -4.374138      14.25422 
1 1 1 -28 3   27 o 23.271  9.1626  149.117    75.991   222.272    103.921  65.043     111.406  24.730  10.343  17.797  8.5874  6.932348       13.44348 
1 1 1 -28 3   28 o 12.513  6.2138  -72.8092   72.624   -60.8803   103.258  -84.4865   102.163  14.500  7.2341  14.011  7.0208  0.4887896      10.08088 
1 1 1 -28 3   29 o 18.319  8.8387  100.941    117.992  245.918    303.681  75.164     128.053  ?       ?       17.631  8.6600  0.000000       8.659984 
1 1 1 -28 3   30 o 13.123  6.6356  -130.0522  103.736  -459.3859  291.382  -82.2519   111.009  ?       ?       14.173  7.1302  0.000000       7.130234 
1 1 1 -28 3   31 o 16.836  7.8333  60.609     77.594   11.625     107.230  114.451    112.423  15.670  7.7403  18.294  8.7766  -2.623732      11.70211 
1 1 1 -28 3   32 o 14.957  7.3925  -4.7700    98.343   -4.7700    98.343   0.0000     0.0000   14.957  7.3925  ?       ?       0.000000       7.392481 
1 1 1 -28 3   33 o 17.209  8.3057  85.866     104.379  85.866     104.379  0.0000     0.0000   17.209  8.3057  ?       ?       0.000000       8.305745 
1 1 1 -28 3   34 o 12.132  6.0664  -75.8284   74.462   -32.8680   93.960   -148.3640  122.091  14.024  6.9811  ?       ?       0.000000       6.981075 
1 1 1 -28 3   35 o ?       ?       -542.0662  100.728  -2114.7700 315.153  -363.1291  106.304  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 3   36 o 27.366  13.327  1422.56    284.489  4215.77    528.244  281.442    337.636  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 3   37 o 23.141  8.8588  159.117    69.519   216.576    101.079  107.540    95.765   22.187  9.7457  17.834  8.4245  4.352940       12.88219 
1 1 1 -28 3   38 o 13.942  6.6837  6.4723     64.922   93.041     98.077   -61.0452   86.616   17.321  8.2797  13.097  6.5482  4.223790       10.55613 
1 1 1 -28 3   39 f 28.666  10.698  310.473    99.909   266.991    115.473  439.958    199.266  22.955  10.233  20.606  10.243  2.349335       14.47837 
1 1 1 -28 3   40 o 27.518  10.620  298.702    100.456  160.195    113.982  780.615    212.609  18.959  9.0245  25.509  12.193  -6.550463      15.16928 
1 1 1 -28 3   41 o 24.172  8.9891  173.832    70.414   96.266     99.704   251.016    99.458   17.264  8.2778  24.214  10.122  -6.950293      13.07620 
1 1 1 -28 3   42 o 14.390  6.8320  22.724     64.507   -2.0409    96.033   43.086     87.077   14.477  7.1817  15.494  7.5048  -1.016792      10.38738 
1 1 1 -28 3   43 o 13.169  6.5874  -43.4588   88.188   0.0000     0.0000   -43.4588   88.188   ?       ?       13.169  6.5874  0.000000       6.587399 
1 1 1 -28 3   44 o 14.261  7.1261  7.3573     101.922  0.0000     0.0000   7.3573     101.922  ?       ?       14.261  7.1261  0.000000       7.126067 
1 1 1 -28 4   1  o 13.353  6.2516  -6.2855    50.696   -12.2235   54.257   34.547     142.278  13.374  6.3248  17.973  8.8846  -4.599122      10.90587 
1 1 1 -28 4   2  o 14.522  6.7860  2.0796     59.251   55.212     65.471   -238.3545  139.273  17.785  7.8271  ?       ?       0.000000       7.827084 
1 1 1 -28 4   3  o 20.093  8.3790  87.321     67.911   88.692     76.366   82.136     148.486  19.936  8.6169  19.264  9.4340  0.6715050      12.77703 
1 1 1 -28 4   4  o 17.449  7.0270  50.916     45.702   39.354     66.150   61.475     63.216   17.011  7.6514  18.382  7.8917  -1.370327      10.99197 
1 1 1 -28 4   5  o 10.018  4.9034  -52.1528   39.966   -21.5972   57.410   -80.8844   55.670   13.421  6.3928  11.107  5.5027  2.313235       8.434955 
1 1 1 -28 4   6  o 15.460  6.8678  23.274     51.567   -8.4641    66.757   70.231     81.199   14.780  6.9976  19.106  8.5438  -4.325580      11.04373 
1 1 1 -28 4   7  o 29.924  8.0558  169.536    59.789   135.826    80.880   210.153    88.780   23.422  9.3777  28.534  10.170  -5.111856      13.83340 
1 1 1 -28 4   8  o 40.736  7.4259  286.854    70.694   315.852    88.238   234.881    118.131  39.048  9.4214  26.413  11.036  12.63454       14.51054 
1 1 1 -28 4   9  o 27.760  10.490  213.437    96.682   99.126     244.960  234.530    105.224  20.228  10.225  28.094  10.861  -7.866537      14.91709 
1 1 1 -28 4   10 o 20.981  9.1734  101.854    88.641   -40.2822   203.250  135.237    98.502   18.579  9.3839  22.489  9.7533  -3.910198      13.53459 
1 1 1 -28 4   11 o 16.480  7.6699  16.766     74.488   77.167     193.840  6.3014     80.683   19.984  9.9607  16.341  7.7233  3.643116       12.60420 
1 1 1 -28 4   12 o 18.484  7.6616  58.917     56.291   137.678    84.816   -3.0865    75.253   23.472  9.5305  15.679  7.4251  7.793147       12.08148 
1 1 1 -28 4   13 o 15.671  7.0771  19.338     57.262   90.390     86.513   -36.0612   76.391   20.395  8.9858  14.555  7.0447  5.840635       11.41804 
1 1 1 -28 4   14 f 21.935  8.4809  101.310    64.161   72.268     98.005   123.095    84.880   19.450  8.9630  22.413  9.3588  -2.963200      12.95850 
1 1 1 -28 4   15 o 27.606  8.7712  159.337    66.048   221.622    99.225   109.787    88.503   27.981  10.614  21.379  9.2586  6.601997       14.08476 
1 1 1 -28 4   16 o 34.134  8.4933  225.063    70.059   285.223    98.700   163.970    99.463   33.285  10.738  23.933  10.071  9.351887       14.72155 
1 1 1 -28 4   17 o 19.051  7.9753  67.965     61.861   120.591    86.070   11.731     88.972   21.988  9.3164  16.770  7.9802  5.217257       12.26699 
1 1 1 -28 4   18 o 19.700  8.2056  77.832     65.020   136.707    91.781   18.517     92.124   22.574  9.5951  17.060  8.1187  5.513346       12.56902 
1 1 1 -28 4   19 o 12.726  6.1525  -39.2611   57.852   -10.3967   79.971   -70.9515   83.794   15.454  7.4109  13.902  6.8623  1.551927       10.10010 
1 1 1 -28 4   20 o 14.248  6.7475  -10.3309   62.153   4.8260     87.970   -25.4384   87.826   16.286  7.8001  15.327  7.4504  0.9593525      10.78658 
1 1 1 -28 4   21 o 20.488  9.1494  107.404    92.780   83.730     107.755  175.265    182.436  19.274  9.0526  20.697  10.199  -1.423685      13.63733 
1 1 1 -28 4   22 o 22.304  9.5215  141.994    91.086   137.913    104.360  155.043    186.628  21.366  9.6102  20.106  9.9804  1.259972       13.85515 
1 1 1 -28 4   23 o 16.761  7.9122  29.868     84.193   78.016     95.300   -141.3145  179.695  18.800  8.7246  ?       ?       0.000000       8.724643 
1 1 1 -28 4   24 o 30.488  9.4668  222.262    77.378   206.058    106.335  240.500    112.811  24.212  10.311  25.408  10.710  -1.195324      14.86661 
1 1 1 -28 4   25 o 28.417  9.7792  214.627    81.621   149.748    112.937  285.566    118.094  20.826  9.6058  26.869  11.114  -6.043339      14.68984 
1 1 1 -28 4   26 o 24.349  9.4548  168.589    80.006   115.352    112.544  222.980    113.757  19.360  9.1415  23.684  10.373  -4.324726      13.82608 
1 1 1 -28 4   27 o 16.552  7.7319  42.045     76.813   118.219    108.117  -35.5938   109.152  19.324  9.0735  15.236  7.5747  4.088289       11.81968 
1 1 1 -28 4   28 o 15.695  7.7876  -10.8936   113.164  -247.6753  234.188  61.238     129.257  ?       ?       17.378  8.5677  0.000000       8.567748 
1 1 1 -28 4   29 o 15.589  7.7077  -1.3684    107.273  -56.0941   224.612  14.803     122.098  ?       ?       16.196  8.0454  0.000000       8.045351 
1 1 1 -28 4   30 o 12.776  6.3170  -51.3909   72.053   -34.2414   98.288   -71.3135   105.937  14.470  7.1932  14.056  7.0577  0.4148874      10.07736 
1 1 1 -28 4   31 o 18.879  8.9524  137.473    110.125  137.473    110.125  0.0000     0.0000   18.879  8.9524  ?       ?       0.000000       8.952436 
1 1 1 -28 4   32 o 16.224  8.0040  46.373     113.453  46.373     113.453  0.0000     0.0000   16.224  8.0040  ?       ?       0.000000       8.004033 
1 1 1 -28 4   33 o 18.572  8.9222  148.252    117.088  148.252    117.088  0.0000     0.0000   18.572  8.9222  ?       ?       0.000000       8.922242 
1 1 1 -28 4   34 o 13.438  6.6149  -24.6180   76.029   1.5681     104.675  -53.8600   110.614  14.979  7.4422  14.129  7.1096  0.8498554      10.29238 
1 1 1 -28 4   35 o 20.670  9.0147  155.883    85.127   -122.3154  329.074  175.835    88.127   ?       ?       21.502  9.2753  0.000000       9.275340 
1 1 1 -28 4   36 o 14.670  6.9310  25.123     64.872   -48.3451   100.442  77.704     84.973   13.863  6.9486  16.932  7.9793  -3.069256      10.58076 
1 1 1 -28 4   37 f 13.788  6.6250  3.5758     64.608   -0.0097    99.541   6.1859     84.929   14.808  7.3398  14.596  7.1450  0.2117558      10.24324 
1 1 1 -28 4   38 o 15.565  7.5204  36.669     86.126   49.996     99.078   -4.5454    174.231  16.059  7.8300  ?       ?       0.000000       7.829955 
1 1 1 -28 4   39 o 13.267  6.6494  -64.6819   91.844   -64.6819   91.844   0.0000     0.0000   13.267  6.6494  ?       ?       0.000000       6.649439 
1 1 1 -28 4   40 o 13.630  6.5097  5.1204     60.359   -10.8410   90.393   17.964     81.085   14.293  7.0687  14.813  7.1910  -0.5197744     10.08351 
1 1 1 -28 4   41 o 17.405  7.7192  80.320     64.884   41.009     95.554   113.954    88.385   15.553  7.6061  18.086  8.3965  -2.533100      11.32933 
1 1 1 -28 4   42 o 16.299  7.9258  78.118     99.625   0.0000     0.0000   78.118     99.625   ?       ?       16.299  7.9258  0.000000       7.925800 
1 1 1 -28 4   43 o 14.141  7.0643  -2.4413    99.853   0.0000     0.0000   -2.4413    99.853   ?       ?       14.141  7.0643  0.000000       7.064289 
1 1 1 -28 4   44 o 19.577  9.2399  246.731    114.741  0.0000     0.0000   246.731    114.741  ?       ?       19.577  9.2399  0.000000       9.239902 
1 1 1 -28 5   1  o 13.979  6.6834  -16.1581   63.964   -45.2767   71.349   103.054    144.366  13.508  6.5991  19.368  9.4452  -5.859525      11.52212 
1 1 1 -28 5   2  o 20.962  9.1107  113.921    86.322   113.921    86.322   0.0000     0.0000   20.962  9.1107  ?       ?       0.000000       9.110683 
1 1 1 -28 5   3  o 14.047  6.2826  13.097     43.925   -0.3153    71.795   21.121     55.530   15.260  7.2343  15.386  6.9569  -0.1256952     10.03662 
1 1 1 -28 5   4  o 15.833  6.8230  32.614     47.588   57.698     70.401   11.511     64.575   18.152  8.0461  15.436  7.1697  2.716720       10.77706 
1 1 1 -28 5   5  o 26.500  8.6836  150.133    64.419   116.499    82.427   202.914    103.258  21.699  9.1512  25.599  10.469  -3.900520      13.90463 
1 1 1 -28 5   6  o 21.291  8.2146  94.104     60.096   119.702    82.936   65.805     87.201   21.981  9.2201  18.862  8.6027  3.118908       12.61015 
1 1 1 -28 5   7  o 16.689  7.3990  35.519     59.562   -29.0726   75.952   138.692    95.991   14.651  7.0746  22.536  9.7009  -7.884796      12.00660 
1 1 1 -28 5   8  o 14.882  7.2120  -32.3516   80.641   -28.2348   160.383  -33.7445   93.291   17.884  8.9368  15.575  7.5950  2.308586       11.72817 
1 1 1 -28 5   9  o 17.084  7.9747  25.732     81.483   -91.2925   183.797  54.359     90.905   17.579  8.8839  18.543  8.5755  -0.9631290     12.34757 
1 1 1 -28 5   10 o 18.524  8.2258  58.353     73.898   71.747     194.857  56.103     79.864   19.781  9.8799  18.482  8.3511  1.299536       12.93651 
1 1 1 -28 5   11 f 15.881  7.1421  23.093     57.614   57.597     83.266   -8.5995    79.801   18.614  8.4571  15.681  7.4881  2.932791       11.29579 
1 1 1 -28 5   12 o 20.316  8.1565  82.142     61.369   34.345     91.541   121.159    82.707   17.776  8.3473  22.334  9.2746  -4.558706      12.47781 
1 1 1 -28 5   13 o 20.650  8.1346  85.417     59.926   111.376    87.711   62.691     82.067   21.460  9.2554  18.837  8.4929  2.622925       12.56151 
1 1 1 -28 5   14 o 21.255  8.2669  93.031     61.242   128.365    89.582   62.026     83.915   22.368  9.4926  18.790  8.5189  3.578308       12.75469 
1 1 1 -28 5   15 o 16.151  7.2657  26.589     59.679   143.635    87.975   -73.1886   81.226   23.403  9.6274  13.746  6.7800  9.657006       11.77522 
1 1 1 -28 5   16 o 23.367  8.5779  118.213    63.751   75.903     88.293   164.297    92.146   19.385  8.7682  24.378  9.9202  -4.992859      13.23979 
1 1 1 -28 5   17 o 32.318  9.0792  220.391    74.139   344.276    98.412   57.808     112.740  38.427  10.331  18.743  8.9364  19.68409       13.66005 
1 1 1 -28 5   18 o 26.238  8.9107  153.300    67.729   110.938    93.151   200.816    98.654   20.892  9.2583  25.918  10.364  -5.025936      13.89715 
1 1 1 -28 5   19 o 19.117  8.0100  72.191     62.485   84.916     88.607   59.604     88.128   19.552  8.8191  18.375  8.4789  1.176929       12.23391 
1 1 1 -28 5   20 o 17.752  8.2783  47.572     87.453   68.482     98.323   -31.6203   191.344  18.688  8.7359  17.837  9.0185  0.8510189      12.55584 
1 1 1 -28 5   21 o 12.159  6.0757  -106.2879  74.065   -110.1046  82.750   -90.9157   166.072  12.768  6.3863  16.608  8.3972  -3.839236      10.54982 
1 1 1 -28 5   22 o 17.265  8.1658  39.605     90.478   8.1093     104.256  135.701    182.107  16.616  8.0864  19.616  9.7576  -3.000261      12.67281 
1 1 1 -28 5   23 o 17.353  7.7994  52.249     68.583   -25.4130   91.412   152.263    103.736  15.147  7.4142  21.625  9.6647  -6.478391      12.18100 
1 1 1 -28 5   24 o 18.409  8.2700  73.830     77.011   -17.4066   106.000  175.820    112.073  15.792  7.7807  21.947  9.9071  -6.155070      12.59723 
1 1 1 -28 5   25 o 15.470  7.3584  13.125     75.513   15.974     103.131  9.8340     110.871  16.393  7.9918  16.414  8.0613  -0.2117348E-01 11.35134 
1 1 1 -28 5   26 o 13.784  6.7257  -29.6136   73.462   24.532     105.204  -81.1393   102.627  16.501  8.0507  14.119  7.0692  2.382292       10.71391 
1 1 1 -28 5   27 o 21.015  9.7174  181.344    116.661  -2.2918    250.217  232.350    131.871  ?       ?       21.863  10.185  0.000000       10.18517 
1 1 1 -28 5   28 f 16.121  7.9639  16.600     113.668  -23.3416   223.903  30.469     131.934  ?       ?       16.621  8.2738  0.000000       8.273838 
1 1 1 -28 5   29 o ?       ?       -198.6558  96.110   -69.0129   206.533  -234.4901  108.584  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 5   30 o 13.202  6.6353  -87.1154   94.808   -87.1154   94.808   0.0000     0.0000   13.202  6.6353  ?       ?       0.000000       6.635313 
1 1 1 -28 5   31 o 16.067  7.9092  40.314     108.769  40.314     108.769  0.0000     0.0000   16.067  7.9092  ?       ?       0.000000       7.909174 
1 1 1 -28 5   32 o 14.341  7.1514  -28.1134   100.418  -28.1134   100.418  0.0000     0.0000   14.341  7.1514  ?       ?       0.000000       7.151372 
1 1 1 -28 5   33 o 18.104  8.3042  102.783    82.811   69.298     116.807  136.622    117.421  16.496  8.1350  18.103  8.7550  -1.607101      11.95112 
1 1 1 -28 5   34 o 21.335  9.4445  191.507    96.686   55.608     337.832  203.631    100.907  ?       ?       21.473  9.5689  0.000000       9.568901 
1 1 1 -28 5   35 o 19.585  8.4891  122.354    74.536   233.756    112.102  34.081     99.788   21.577  9.8071  15.550  7.6392  6.026909       12.43127 
1 1 1 -28 5   36 o 24.127  9.2545  185.999    75.962   199.357    112.065  174.645    103.321  20.250  9.4190  19.944  9.1950  0.3062515      13.16306 
1 1 1 -28 5   37 o 22.212  9.6867  210.888    98.278   235.112    112.127  130.592    204.142  21.733  9.8509  ?       ?       0.000000       9.850931 
1 1 1 -28 5   38 f 19.512  8.9304  148.150    95.041   226.572    109.266  -95.5910   192.633  21.741  9.8012  ?       ?       0.000000       9.801171 
1 1 1 -28 5   39 o 22.895  8.8560  158.053    69.983   155.834    101.643  160.054    96.499   19.326  8.9828  19.850  9.0517  -0.5239639     12.75241 
1 1 1 -28 5   40 o 12.525  6.1252  -25.4136   61.972   -48.9341   89.887   -4.1042    85.557   13.359  6.6777  14.216  7.0014  -0.8572845     9.675254 
1 1 1 -28 5   41 o 24.022  9.0966  184.281    72.802   196.761    104.418  172.477    101.557  20.175  9.2803  19.430  9.0135  0.7446632      12.93703 
1 1 1 -28 5   42 o 15.801  7.7948  70.465     107.560  0.0000     0.0000   70.465     107.560  ?       ?       15.801  7.7948  0.000000       7.794841 
1 1 1 -28 5   43 o 15.957  7.8739  97.487     109.975  0.0000     0.0000   97.487     109.975  ?       ?       15.957  7.8739  0.000000       7.873909 
1 1 1 -28 6   1  o 22.119  8.0390  103.891    55.793   220.340    90.467   32.415     70.877   27.805  10.217  16.495  7.6088  11.30971       12.73868 
1 1 1 -28 6   2  o 22.478  7.6202  99.595     49.531   114.430    76.606   88.938     64.929   21.453  8.9188  20.163  8.2800  1.289902       12.16976 
1 1 1 -28 6   3  o 10.699  5.1556  -34.8543   39.824   -96.0542   67.230   -1.7713    49.430   11.830  5.8915  13.559  6.2893  -1.729544      8.617713 
1 1 1 -28 6   4  o 15.596  6.9936  24.645     54.805   -50.4040   78.550   95.831     76.501   14.019  6.8646  20.424  8.7226  -6.405001      11.09983 
1 1 1 -28 6   5  f 22.656  8.4728  111.905    62.733   112.832    88.700   110.976    88.736   21.122  9.2073  21.017  9.1840  0.1050205      13.00460 
1 1 1 -28 6   6  o 21.532  8.4981  101.306    65.516   24.252     86.840   203.107    99.815   17.036  8.0401  26.036  10.420  -8.999323      13.16131 
1 1 1 -28 6   7  o 14.614  7.0994  -36.1901   79.413   118.678    158.367  -88.2127   91.787   20.344  9.9149  14.071  6.9871  6.273081       12.12949 
1 1 1 -28 6   8  o 44.362  10.741  460.677    114.385  60.746     224.965  600.122    132.839  19.539  9.8692  49.870  11.246  -30.33172      14.96249 
1 1 1 -28 6   9  o 33.826  10.980  305.341    103.087  366.714    214.357  286.877    117.576  24.032  11.672  29.448  11.454  -5.416164      16.35352 
1 1 1 -28 6   10 o 30.872  9.0158  200.461    71.754   153.536    94.448   264.514    110.349  23.557  9.8574  29.138  11.160  -5.581129      14.88974 
1 1 1 -28 6   11 o 48.988  6.4467  386.087    74.768   534.467    105.768  237.880    105.707  53.409  8.4423  27.983  10.867  25.42531       13.76119 
1 1 1 -28 6   12 o 39.531  7.5520  274.444    69.797   299.878    98.218   248.497    99.205   34.573  10.654  29.845  10.738  4.727942       15.12680 
1 1 1 -28 6   13 o 35.889  8.1828  241.070    69.675   172.674    103.679  297.396    94.089   23.968  10.193  35.350  10.324  -11.38169      14.50829 
1 1 1 -28 6   14 o 26.565  8.7191  150.386    64.937   221.221    95.455   89.362     88.598   28.161  10.467  20.038  8.9452  8.122868       13.76880 
1 1 1 -28 6   15 o 24.501  8.6110  129.761    63.446   126.093    93.281   132.918    86.549   21.819  9.4770  22.600  9.4448  -0.7814617     13.37980 
1 1 1 -28 6   16 o 19.594  8.0272  76.384     60.846   56.369     86.214   96.246     85.885   18.325  8.4304  20.322  8.9533  -1.997093      12.29769 
1 1 1 -28 6   17 f 19.246  7.9680  72.946     60.778   -11.1373   84.866   161.479    87.082   15.626  7.5287  24.335  9.7351  -8.709743      12.30668 
1 1 1 -28 6   18 o 17.044  7.5429  43.419     61.630   110.439    87.323   -23.0961   86.993   20.875  9.1166  15.302  7.4329  5.573050       11.76269 
1 1 1 -28 6   19 o 21.012  8.9247  109.180    79.296   67.593     87.640   296.906    186.202  18.576  8.5290  22.811  11.030  -4.234411      13.94302 
1 1 1 -28 6   20 o 20.164  8.9224  101.774    86.206   56.622     97.051   270.614    187.672  18.074  8.5206  21.985  10.732  -3.911596      13.70325 
1 1 1 -28 6   21 o 13.875  6.7951  -44.9269   77.056   -61.2222   85.707   23.794     176.006  13.994  6.9138  17.996  9.0438  -4.001286      11.38380 
1 1 1 -28 6   22 o 13.943  6.6000  -6.3324    59.330   -71.6245   81.263   68.201     86.824   13.385  6.6340  18.216  8.4092  -4.831821      10.71099 
1 1 1 -28 6   23 o 17.699  7.9059  60.701     69.315   11.290     96.576   113.196    99.544   16.220  7.8681  19.799  9.0902  -3.578363      12.02237 
1 1 1 -28 6   24 o 17.963  7.9950  67.732     70.204   180.794    97.875   -52.0858   100.756  23.019  9.8493  14.705  7.3053  8.313534       12.26282 
1 1 1 -28 6   25 o 21.075  8.8671  124.069    77.087   172.572    106.370  70.416     111.874  21.595  9.7089  17.781  8.5861  3.813902       12.96081 
1 1 1 -28 6   26 o 15.041  7.4775  -34.0165   106.301  -146.1575  233.974  -4.8483    119.327  ?       ?       15.961  7.9329  0.000000       7.932909 
1 1 1 -28 6   27 o 27.793  11.469  358.091    125.341  530.992    252.926  301.807    144.307  21.013  10.595  22.791  10.630  -1.778948      15.00878 
1 1 1 -28 6   28 o 16.705  8.2010  51.100     114.368  111.664    228.345  30.820     132.137  ?       ?       16.432  8.1956  0.000000       8.195555 
1 1 1 -28 6   29 o 18.492  8.7816  121.405    106.695  121.405    106.695  0.0000     0.0000   18.492  8.7816  ?       ?       0.000000       8.781584 
1 1 1 -28 6   30 o 16.575  8.1229  62.000     110.686  62.000     110.686  0.0000     0.0000   16.575  8.1229  ?       ?       0.000000       8.122862 
1 1 1 -28 6   31 o 17.874  8.6523  121.527    115.294  121.527    115.294  0.0000     0.0000   17.874  8.6523  ?       ?       0.000000       8.652310 
1 1 1 -28 6   32 o 16.249  7.6385  58.453     77.002   136.331    104.036  -35.8992   114.512  18.531  8.7623  14.495  7.2857  4.036895       11.39555 
1 1 1 -28 6   33 o 18.344  8.1812  101.067    73.926   100.332    113.873  101.602    97.192   17.142  8.3662  17.497  8.3300  -0.3548336     11.80607 
1 1 1 -28 6   34 o 36.999  9.7505  363.995    88.767   451.098    135.956  299.273    117.194  27.567  11.696  23.762  10.464  3.805161       15.69414 
1 1 1 -28 6   35 o 11.059  5.5515  -90.9382   65.331   -100.2315  108.905  -85.7138   81.655   13.295  6.7301  12.277  6.1685  1.018123       9.129300 
1 1 1 -28 6   36 o 14.990  7.3819  14.170     95.056   -37.0802   104.192  268.567    232.136  14.153  7.0915  ?       ?       0.000000       7.091481 
1 1 1 -28 6   37 o 21.377  9.7468  226.188    111.834  175.302    124.804  433.548    251.939  18.826  9.0851  ?       ?       0.000000       9.085086 
1 1 1 -28 6   38 o 16.934  8.1708  85.266     100.850  58.160     112.219  199.071    229.943  16.187  7.9810  ?       ?       0.000000       7.981039 
1 1 1 -28 6   39 o 14.253  6.7483  19.728     62.096   52.911     93.921   -6.0405    82.767   15.912  7.7280  14.085  6.9271  1.827363       10.37818 
1 1 1 -28 6   40 o 18.170  8.0497  100.172    70.373   90.485     106.242  107.745    93.936   16.666  8.1221  17.457  8.2755  -0.7914677     11.59538 
1 1 1 -28 6   41 o ?       ?       -232.3721  79.920   0.0000     0.0000   -232.3721  79.920   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 6   42 o 14.244  7.1133  9.8342     100.880  0.0000     0.0000   9.8342     100.880  ?       ?       14.244  7.1133  0.000000       7.113260 
1 1 1 -28 7   1  o 7.6517  3.8715  -103.1118  35.735   -95.6061   58.759   -107.5172  45.016   10.905  5.4434  8.9305  4.4991  1.974783       7.062019 
1 1 1 -28 7   2  o 14.784  6.5168  22.653     45.559   -41.6814   76.665   57.775     56.646   14.009  6.8430  17.838  7.5580  -3.828929      10.19558 
1 1 1 -28 7   3  o 14.866  6.8579  10.975     57.602   -99.0187   79.025   135.660    84.137   12.749  6.3557  22.465  9.3438  -9.715681      11.30051 
1 1 1 -28 7   4  o 27.732  9.0463  173.526    69.941   165.796    95.541   182.452    102.668  23.631  9.9032  24.008  10.174  -0.3774300     14.19801 
1 1 1 -28 7   5  o 17.798  8.2836  46.512     86.899   41.267     226.552  47.417     94.096   18.994  9.6251  17.958  8.4425  1.036600       12.80303 
1 1 1 -28 7   6  o 17.368  8.1839  32.952     89.332   241.823    220.206  -8.1948    97.736   21.395  10.656  16.301  7.9092  5.093336       13.27079 
1 1 1 -28 7   7  o 18.411  8.4718  58.150     87.117   78.037     170.675  51.143     101.308  19.420  9.6235  18.316  8.6562  1.104086       12.94376 
1 1 1 -28 7   8  f 43.707  7.3779  332.168    75.458   347.915    105.697  315.801    107.760  36.583  11.008  33.246  11.240  3.337158       15.73267 
1 1 1 -28 7   9  o 23.601  8.6762  123.106    65.255   73.136     91.353   175.169    93.246   19.171  8.7674  24.896  10.033  -5.725006      13.32419 
1 1 1 -28 7   10 o 25.150  8.6099  135.547    63.240   185.493    90.571   88.031     88.340   25.979  10.067  19.919  8.9093  6.059458       13.44357 
1 1 1 -28 7   11 o 14.019  6.6134  -10.8519   58.653   -17.7686   84.933   -4.5463    81.095   15.508  7.4865  15.752  7.5295  -0.2445679     10.61796 
1 1 1 -28 7   12 o 21.015  8.3236  93.537     63.060   27.478     87.539   164.795    90.918   17.194  8.1017  24.389  9.8797  -7.194452      12.77676 
1 1 1 -28 7   13 o 29.481  8.7162  180.521    66.701   168.277    95.914   191.988    92.820   24.109  9.9977  26.090  10.169  -1.980652      14.26059 
1 1 1 -28 7   14 o 12.748  6.1321  -32.9497   55.731   -50.1134   81.944   -18.1778   76.020   14.307  7.0067  14.924  7.1749  -0.6175308     10.02857 
1 1 1 -28 7   15 o 17.199  7.5254  45.564     59.751   -21.0632   89.969   98.143     79.923   15.567  7.5610  20.500  8.8381  -4.933092      11.63100 
1 1 1 -28 7   16 o 14.434  6.7236  1.7501     57.431   34.245     83.481   -27.4487   79.134   17.177  8.0357  14.732  7.1406  2.444390       10.74992 
1 1 1 -28 7   17 o 18.544  8.0627  66.393     67.654   94.121     92.185   34.024     99.601   19.808  8.9593  17.481  8.3526  2.327480       12.24889 
1 1 1 -28 7   18 o 13.947  6.7714  -34.1269   71.959   10.223     77.764   -298.3543  189.812  15.873  7.5261  ?       ?       0.000000       7.526066 
1 1 1 -28 7   19 o ?       ?       -223.7094  72.687   -237.7399  79.742   -154.7833  176.744  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 7   20 o 16.105  7.7329  10.508     87.701   -12.3242   97.581   106.439    200.018  15.791  7.7148  19.017  9.5677  -3.226134      12.29060 
1 1 1 -28 7   21 o 15.940  7.3488  28.177     65.987   76.173     91.958   -22.7719   94.744   18.493  8.5782  15.310  7.5055  3.183627       11.39815 
1 1 1 -28 7   22 o 15.832  7.3449  26.910     67.451   20.115     95.758   33.601     95.027   16.423  7.9335  16.824  8.0707  -0.4010887     11.31711 
1 1 1 -28 7   23 o 13.657  6.5664  -16.7342   63.735   -91.7201   92.467   51.136     87.970   13.470  6.7392  17.190  8.1065  -3.720180      10.54194 
1 1 1 -28 7   24 o 14.380  6.8558  -0.2501    66.331   42.805     96.561   -38.7190   91.274   16.846  8.0958  14.455  7.1401  2.391623       10.79456 
1 1 1 -28 7   25 o 15.461  7.3044  22.774     72.016   -4.5943    91.219   68.057     117.335  15.200  7.4330  17.496  8.5287  -2.296643      11.31317 
1 1 1 -28 7   26 o 18.349  8.7745  104.978    110.383  129.929    229.324  97.454     125.931  ?       ?       17.949  8.7684  0.000000       8.768427 
1 1 1 -28 7   27 o 13.173  6.6454  -110.0531  100.145  106.542    212.992  -171.5265  113.470  ?       ?       12.951  6.5873  0.000000       6.587294 
1 1 1 -28 7   28 o 13.940  6.9321  -41.6180   91.647   -128.9514  101.058  362.832    217.477  12.831  6.4939  19.542  9.8505  -6.711460      11.79845 
1 1 1 -28 7   29 o 15.848  7.8343  30.587     110.660  30.587     110.660  0.0000     0.0000   15.848  7.8343  ?       ?       0.000000       7.834301 
1 1 1 -28 7   30 o 19.089  9.0995  166.936    116.741  166.936    116.741  0.0000     0.0000   19.089  9.0995  ?       ?       0.000000       9.099479 
1 1 1 -28 7   31 o 19.807  8.7668  138.041    83.276   198.723    117.075  75.895     118.479  19.898  9.3737  16.579  8.1795  3.318228       12.44069 
1 1 1 -28 7   32 f 19.347  8.4471  119.968    74.927   136.599    115.872  108.016    98.227   17.986  8.6981  17.641  8.3916  0.3449726      12.08617 
1 1 1 -28 7   33 o 17.558  7.9896  88.806     74.675   11.063     119.964  137.985    95.415   15.247  7.6353  18.812  8.7302  -3.565127      11.59805 
1 1 1 -28 7   34 o 14.797  7.0446  27.549     69.522   -147.2366  116.004  125.512    86.846   ?       ?       18.754  8.5656  0.000000       8.565572 
1 1 1 -28 7   35 o 14.484  6.9748  16.703     72.601   119.194    116.215  -48.8968   92.976   17.489  8.5168  13.510  6.7590  3.978654       10.87290 
1 1 1 -28 7   36 o 20.494  9.4944  207.411    112.150  168.761    125.292  363.188    251.537  18.548  8.9888  ?       ?       0.000000       8.988838 
1 1 1 -28 7   37 o 11.722  5.9603  -158.9661  92.337   -87.6658   101.060  -519.3348  227.199  13.184  6.6539  ?       ?       0.000000       6.653885 
1 1 1 -28 7   38 o 11.145  5.6010  -93.8341   67.544   -4.4545    109.925  -148.0491  85.612   14.796  7.3944  11.443  5.8109  3.352275       9.404403 
1 1 1 -28 7   39 o 13.075  6.4080  -17.8627   68.920   -4.1195    103.647  -28.7562   92.277   14.545  7.2552  13.753  6.8579  0.7918425      9.983389 
1 1 1 -28 7   40 o 13.084  6.5454  -44.6165   87.095   0.0000     0.0000   -44.6165   87.095   ?       ?       13.084  6.5454  0.000000       6.545442 
1 1 1 -28 7   41 o 14.647  7.2841  26.944     101.275  0.0000     0.0000   26.944     101.275  ?       ?       14.647  7.2841  0.000000       7.284082 
1 1 1 -28 7   42 o 13.303  6.6899  -23.6372   97.153   0.0000     0.0000   -23.6372   97.153   ?       ?       13.303  6.6899  0.000000       6.689945 
1 1 1 -28 8   1  o 22.094  8.0200  104.554    55.504   47.794     75.448   171.507    81.943   17.257  7.9198  24.927  9.5993  -7.669212      12.44468 
1 1 1 -28 8   2  o 16.994  7.4691  46.633     59.444   71.016     84.639   22.900     83.505   18.534  8.4615  16.478  7.8086  2.056030       11.51395 
1 1 1 -28 8   3  o 21.704  8.4461  106.853    63.952   87.873     91.474   125.000    89.444   19.371  8.8255  21.344  9.2754  -1.972706      12.80329 
1 1 1 -28 8   4  o 24.821  10.191  191.438    98.357   239.576    245.918  182.271    107.314  20.588  10.390  23.442  10.174  -2.853714      14.54111 
1 1 1 -28 8   5  o 26.034  10.454  212.251    100.838  218.797    244.559  210.911    110.684  20.517  10.354  24.820  10.543  -4.303167      14.77754 
1 1 1 -28 8   6  o 16.869  7.9734  24.719     86.020   113.101    237.936  11.431     92.260   19.619  9.9334  16.610  7.9637  3.009632       12.73155 
1 1 1 -28 8   7  o 13.901  6.6345  -18.7022   62.454   -36.3734   91.265   -3.1394    85.648   15.180  7.4260  15.896  7.6353  -0.7158060     10.65100 
1 1 1 -28 8   8  o 19.559  8.2399  78.840     66.708   19.884     98.832   128.173    90.408   17.148  8.2272  21.866  9.4135  -4.717754      12.50205 
1 1 1 -28 8   9  o 13.951  6.6472  -17.4553   62.157   -52.3121   90.595   13.547     85.439   14.755  7.2549  16.504  7.8437  -1.748980      10.68447 
1 1 1 -28 8   10 o 14.435  6.7910  -4.5997    61.067   -3.0686    91.685   -5.8206    81.870   16.198  7.8097  15.659  7.5064  0.5393620      10.83221 
1 1 1 -28 8   11 o 19.676  8.3627  81.317     69.705   21.238     97.790   143.372    99.385   17.170  8.2234  22.254  9.7222  -5.084833      12.73366 
1 1 1 -28 8   12 o 31.301  9.1250  212.404    73.560   305.489    107.415  130.194    100.946  32.105  11.209  21.474  9.5701  10.63089       14.73849 
1 1 1 -28 8   13 o 14.091  6.7126  -15.5146   63.319   -70.5910   95.833   27.160     84.356   14.578  7.2218  16.928  7.9695  -2.350264      10.75482 
1 1 1 -28 8   14 o 17.589  7.7537  51.322     64.500   55.663     98.284   48.038     85.483   18.248  8.5943  17.769  8.2522  0.4791107      11.91467 
1 1 1 -28 8   15 o 22.776  8.8056  122.633    69.165   45.402     107.022  178.023    90.635   17.953  8.5996  24.848  9.9347  -6.895306      13.13972 
1 1 1 -28 8   16 o 24.528  8.9285  142.265    68.861   189.358    100.175  100.079    94.813   24.415  10.179  19.924  9.0418  4.490847       13.61465 
1 1 1 -28 8   17 o 23.311  9.5951  155.217    87.451   84.865     97.348   449.370    199.056  19.122  8.8544  25.123  11.949  -6.000990      14.87244 
1 1 1 -28 8   18 o 16.440  7.7817  24.000     82.454   8.1946     92.036   88.263     185.586  16.211  7.8179  18.864  9.4539  -2.652494      12.26766 
1 1 1 -28 8   19 o 17.271  8.0611  46.596     83.226   104.142    92.724   -191.9205  188.776  19.787  8.9644  ?       ?       0.000000       8.964417 
1 1 1 -28 8   20 o 29.028  9.3542  205.012    74.918   170.043    107.713  237.783    104.271  21.992  9.8371  26.102  10.578  -4.109125      14.44513 
1 1 1 -28 8   21 o 13.287  6.4547  -32.0038   65.648   -19.6777   92.617   -44.4496   93.065   15.158  7.4289  14.565  7.1975  0.5923719      10.34369 
1 1 1 -28 8   22 o 15.620  7.2614  26.193     66.458   -71.3011   96.711   113.425    91.480   14.068  7.0159  19.754  8.9308  -5.685987      11.35702 
1 1 1 -28 8   23 o 12.861  6.2989  -42.1603   66.237   -44.8894   92.887   -39.3368   94.481   14.353  7.1100  14.549  7.2008  -0.1966867     10.11945 
1 1 1 -28 8   24 o 11.607  5.8099  -95.9296   69.091   -102.9613  90.638   -86.1769   106.745  12.960  6.5100  14.052  7.0596  -1.092611      9.603075 
1 1 1 -28 8   25 o 21.003  9.5578  175.746    106.890  528.626    233.461  82.155     120.232  21.610  10.796  17.580  8.5837  4.029764       13.79280 
1 1 1 -28 8   26 o 17.786  8.5063  92.185     103.802  -223.8916  228.683  174.208    116.495  ?       ?       20.059  9.4185  0.000000       9.418539 
1 1 1 -28 8   27 o 15.798  7.4263  40.880     72.770   80.496     100.468  -2.8383    105.542  17.252  8.2818  15.179  7.5298  2.072506       11.19316 
1 1 1 -28 8   28 o 15.695  7.6997  30.515     100.254  30.515     100.254  0.0000     0.0000   15.695  7.6997  ?       ?       0.000000       7.699697 
1 1 1 -28 8   29 o 13.752  6.8816  -49.4180   96.602   -49.4180   96.602   0.0000     0.0000   13.752  6.8816  ?       ?       0.000000       6.881635 
1 1 1 -28 8   30 o 15.884  7.5823  50.395     81.660   99.492     106.383  -20.0291   127.411  17.240  8.3368  14.946  7.5344  2.294408       11.23693 
1 1 1 -28 8   31 o 18.667  8.4714  119.251    83.230   143.478    115.253  92.847     120.320  18.129  8.7443  16.794  8.2770  1.335537       12.04042 
1 1 1 -28 8   32 o 23.842  9.2435  186.898    76.378   130.159    118.000  227.810    100.200  17.638  8.5877  22.489  9.7950  -4.851402      13.02657 
1 1 1 -28 8   33 o 11.876  5.9130  -60.9562   67.533   73.995     106.999  -150.3085  87.065   16.401  8.0267  11.484  5.8342  4.916533       9.923017 
1 1 1 -28 8   34 o 18.480  8.2405  107.123    74.965   86.475     120.915  120.014    95.543   16.609  8.2069  18.049  8.4922  -1.439266      11.80978 
1 1 1 -28 8   35 o 14.513  7.2299  -11.0072   101.512  -32.7776   112.296  86.288     237.399  14.382  7.2273  ?       ?       0.000000       7.227332 
1 1 1 -28 8   36 o 14.406  7.2225  -26.8607   108.764  -8.4848    122.545  -95.0526   236.068  14.982  7.5317  ?       ?       0.000000       7.531677 
1 1 1 -28 8   37 o 13.839  6.7066  2.1980     69.743   -87.0804   114.611  54.698     87.889   13.606  6.8896  15.926  7.6706  -2.319842      10.31043 
1 1 1 -28 8   38 o 10.737  5.3818  -82.6985   60.225   -168.5602  108.319  -44.2791   72.457   ?       ?       12.534  6.2213  0.000000       6.221285 
1 1 1 -28 8   39 o 11.560  5.7745  -65.2754   66.648   -9.7638    101.559  -107.2657  88.329   14.213  7.1038  12.038  6.0905  2.174662       9.357290 
1 1 1 -28 8   40 o 15.233  7.4781  52.477     95.098   0.0000     0.0000   52.477     95.098   ?       ?       15.233  7.4781  0.000000       7.478138 
1 1 1 -28 8   41 o 15.240  7.5003  68.179     97.578   0.0000     0.0000   68.179     97.578   ?       ?       15.240  7.5003  0.000000       7.500296 
1 1 1 -28 9   1  o 16.279  7.3025  37.568     59.815   105.243    87.297   -22.3220   82.122   19.968  8.8991  14.752  7.1785  5.216011       11.43351 
1 1 1 -28 9   2  f 20.256  8.3241  93.677     65.682   109.921    89.850   75.033     96.258   20.247  9.0256  18.569  8.6678  1.678543       12.51369 
1 1 1 -28 9   3  o 17.467  8.1635  47.016     85.793   253.683    195.558  -2.2410    95.471   21.268  10.496  16.054  7.7954  5.214706       13.07384 
1 1 1 -28 9   4  o 15.708  7.5607  -1.8961    85.041   -68.7391   226.322  9.0929     91.765   ?       ?       16.323  7.8558  0.000000       7.855829 
1 1 1 -28 9   5  f 23.436  10.044  176.104    102.075  533.101    247.153  102.688    112.080  24.026  11.846  19.732  9.2564  4.294683       15.03359 
1 1 1 -28 9   6  o 20.849  8.4083  97.336     65.536   34.895     92.289   160.853    93.081   17.301  8.2017  23.372  9.7834  -6.071138      12.76648 
1 1 1 -28 9   7  o 16.714  7.5203  38.010     63.971   -63.8712   95.136   122.095    86.428   14.621  7.2346  21.484  9.2256  -6.862486      11.72397 
1 1 1 -28 9   8  o 42.626  7.9550  336.128    79.251   342.147    114.673  330.624    109.652  32.932  11.577  33.256  11.338  -0.3240433     16.20365 
1 1 1 -28 9   9  o 12.517  6.1490  -61.9176   64.629   83.317     96.159   -181.5753  87.282   19.292  8.8859  11.883  6.0167  7.408830       10.73125 
1 1 1 -28 9   10 o 17.857  7.8692  55.635     66.389   51.838     102.015  58.425     87.437   18.121  8.6000  18.211  8.4179  -0.8956909E-01 12.03414 
1 1 1 -28 9   11 o 29.892  9.1375  199.201    72.411   34.071     106.817  339.605    98.496   17.620  8.4792  37.139  10.476  -19.51852      13.47743 
1 1 1 -28 9   12 o 22.856  8.8414  124.495    69.757   63.136     103.894  174.865    94.130   18.470  8.7403  24.212  9.9592  -5.742022      13.25054 
1 1 1 -28 9   13 o 22.507  8.8508  122.265    70.824   83.455     104.937  154.734    95.982   19.139  8.9715  22.731  9.7406  -3.591272      13.24263 
1 1 1 -28 9   14 o 20.411  8.5053  95.824     69.899   234.724    105.222  -13.8855   93.514   26.606  10.681  15.726  7.6546  10.87957       13.14043 
1 1 1 -28 9   15 o 17.201  7.7010  47.761     66.174   -9.7434    100.983  91.038     87.606   16.072  7.8513  19.497  8.7841  -3.425833      11.78149 
1 1 1 -28 9   16 o 14.079  6.9529  -58.9970   86.376   -6.0713    95.947   -285.2860  198.394  15.925  7.7516  ?       ?       0.000000       7.751649 
1 1 1 -28 9   17 o 19.275  8.9431  95.462     100.038  99.241     113.803  82.617     209.842  19.232  9.1143  18.658  9.4344  0.5737667      13.11784 
1 1 1 -28 9   18 o 17.101  8.2579  34.521     103.487  49.166     119.395  -9.7166    207.506  17.693  8.6198  17.616  8.9548  0.7708359E-01  12.42939 
1 1 1 -28 9   19 o 18.817  8.1832  79.813     69.720   63.828     111.830  89.977     89.172   17.900  8.6289  18.953  8.6655  -1.052807      12.22905 
1 1 1 -28 9   20 o 25.876  9.5462  185.540    79.100   304.150    122.243  100.106    103.748  26.741  11.204  18.954  8.8962  7.786453       14.30627 
1 1 1 -28 9   21 o 21.073  8.6704  117.496    71.368   185.898    102.950  54.210     99.025   22.520  9.8652  17.261  8.2692  5.259678       12.87252 
1 1 1 -28 9   22 o 15.252  7.1597  20.960     67.254   99.294     96.476   -53.0937   93.802   18.707  8.7140  14.168  7.0401  4.539443       11.20254 
1 1 1 -28 9   23 o 11.430  5.6888  -77.7531   62.257   -17.6012   86.272   -143.1146  89.931   14.586  7.1529  12.206  6.1722  2.380014       9.447756 
1 1 1 -28 9   24 o 16.983  8.1897  60.827     100.947  73.421     234.248  57.954     111.867  ?       ?       16.932  8.2700  0.000000       8.269967 
1 1 1 -28 9   25 o 17.509  8.3784  84.298     100.989  -306.9612  224.387  183.683    113.090  ?       ?       20.505  9.5118  0.000000       9.511793 
1 1 1 -28 9   26 o 12.263  6.0581  -49.9845   65.763   -35.8327   96.269   -62.3661   90.047   14.185  7.0623  13.387  6.6906  0.7983942      9.728379 
1 1 1 -28 9   27 o 26.178  10.995  337.092    118.181  337.092    118.181  0.0000     0.0000   26.178  10.995  ?       ?       0.000000       10.99457 
1 1 1 -28 9   28 o 17.460  8.4073  103.839    105.423  103.839    105.423  0.0000     0.0000   17.460  8.4073  ?       ?       0.000000       8.407284 
1 1 1 -28 9   29 o 15.477  7.5784  34.904     95.747   34.904     95.747   0.0000     0.0000   15.477  7.5784  ?       ?       0.000000       7.578432 
1 1 1 -28 9   30 o 11.894  5.9557  -75.8992   72.921   -116.3148  97.394   -24.3385   110.007  12.525  6.3430  14.421  7.2346  -1.896393      9.621440 
1 1 1 -28 9   31 o 19.156  8.8631  152.880    97.264   203.321    275.405  145.693    103.963  ?       ?       18.508  8.7537  0.000000       8.753747 
1 1 1 -28 9   32 o 12.371  6.1232  -42.5874   68.346   62.236     102.617  -126.1555  91.625   16.055  7.8581  12.061  6.1126  3.993937       9.955552 
1 1 1 -28 9   33 o 14.654  7.0477  23.502     73.514   66.927     120.503  -2.2405    92.779   16.142  8.0141  14.399  7.1280  1.743507       10.72541 
1 1 1 -28 9   34 o 13.938  6.9829  -37.0720   100.843  -82.1663   111.433  166.921    237.007  13.552  6.8544  ?       ?       0.000000       6.854448 
1 1 1 -28 9   35 o 24.486  10.885  365.012    129.733  359.425    147.733  383.837    271.197  21.958  10.400  ?       ?       0.000000       10.40013 
1 1 1 -28 9   36 o 20.204  8.7643  144.136    79.574   119.635    123.562  161.499    104.016  17.213  8.4650  19.083  8.9410  -1.870468      12.31248 
1 1 1 -28 9   37 o 17.622  8.0057  94.792     74.596   -30.3216   119.954  173.688    95.255   14.407  7.2685  20.035  9.0805  -5.628127      11.63130 
1 1 1 -28 9   38 o 18.382  8.2164  113.707    75.006   167.834    122.894  81.576     94.686   17.890  8.7224  16.339  7.8920  1.551003       11.76280 
1 1 1 -28 9   39 o 19.881  9.4048  250.580    120.098  0.0000     0.0000   250.580    120.098  ?       ?       19.881  9.4048  0.000000       9.404760 
1 1 1 -28 9   40 f 13.170  6.6246  -33.3585   95.578   0.0000     0.0000   -33.3585   95.578   ?       ?       13.170  6.6246  0.000000       6.624599 
1 1 1 -28 10  1  o 15.760  7.5089  14.077     79.299   -49.3393   200.678  25.812     86.324   ?       ?       16.408  7.8223  0.000000       7.822307 
1 1 1 -28 10  2  o 21.658  9.3901  140.269    91.249   136.065    200.350  141.369    102.497  19.179  9.6401  21.073  9.4970  -1.893799      13.53234 
1 1 1 -28 10  3  o 17.884  8.2239  60.309     81.912   -42.2387   190.437  83.588     90.735   17.275  8.7613  18.913  8.6818  -1.638134      12.33427 
1 1 1 -28 10  4  o 19.055  8.7987  86.190     95.142   289.323    235.637  46.623     103.997  20.794  10.452  17.655  8.4622  3.138803       13.44804 
1 1 1 -28 10  5  o 17.256  7.7439  48.955     67.336   112.992    98.596   -7.0197    92.181   20.220  9.1931  15.786  7.6643  4.433941       11.96891 
1 1 1 -28 10  6  f 15.379  7.1374  15.784     63.781   33.883     87.578   -4.6571    93.073   17.020  8.0450  15.921  7.7232  1.098437       11.15210 
1 1 1 -28 10  7  o 24.268  8.9393  141.440    69.322   197.102    97.779   85.189     98.295   25.021  10.205  19.132  8.8724  5.888834       13.52228 
1 1 1 -28 10  8  o 52.194  6.9473  467.161    85.798   497.823    121.342  436.505    121.331  43.343  11.389  38.128  11.857  5.214706       16.44092 
1 1 1 -28 10  9  o 59.791  6.5668  594.888    93.700   564.104    133.415  624.852    131.627  44.486  12.058  50.144  11.111  -5.658417      16.39649 
1 1 1 -28 10  10 o 56.505  6.6592  535.405    89.547   483.568    127.169  586.386    126.115  40.056  12.080  49.046  10.882  -8.989697      16.25842 
1 1 1 -28 10  11 o 24.071  9.0578  143.240    71.908   225.385    105.696  72.458     98.113   25.819  10.579  18.617  8.7101  7.201902       13.70317 
1 1 1 -28 10  12 o 14.728  6.9194  3.3659     63.023   -78.1605   98.354   60.159     82.090   14.358  7.1466  18.014  8.2650  -3.656466      10.92631 
1 1 1 -28 10  13 o 11.835  5.8355  -66.5376   60.033   -84.7603   94.048   -54.0070   77.988   13.954  6.9527  13.678  6.7263  0.2764893      9.673865 
1 1 1 -28 10  14 o 21.205  8.7151  111.197    72.009   44.476     106.515  167.361    97.725   17.584  8.4629  22.894  9.8201  -5.310579      12.96364 
1 1 1 -28 10  15 o 23.221  9.9399  178.432    99.755   241.721    113.813  -31.3242   207.199  25.262  10.709  17.505  8.9035  7.756407       13.92673 
1 1 1 -28 10  16 o 15.529  7.5948  -13.7963   95.318   6.6905     107.522  -88.9807   205.981  16.432  8.0430  ?       ?       0.000000       8.043036 
1 1 1 -28 10  17 f 20.205  9.2749  127.668    103.566  171.835    117.522  -25.8634   219.115  21.350  9.8300  ?       ?       0.000000       9.830007 
1 1 1 -28 10  18 o 13.752  6.6301  -18.8326   66.067   111.955    109.670  -93.3334   82.772   19.285  9.0812  12.851  6.4215  6.433721       11.12222 
1 1 1 -28 10  19 o 17.243  7.9290  56.582     76.130   187.354    137.870  -0.7836    91.314   20.555  9.8232  15.486  7.5432  5.069615       12.38524 
1 1 1 -28 10  20 o 13.570  6.6095  -27.8915   70.060   39.601     124.648  -59.0602   84.706   17.003  8.3885  13.600  6.7464  3.402608       10.76483 
1 1 1 -28 10  21 o 13.481  6.5981  -32.9259   72.328   -77.7749   123.220  -9.3503    89.338   14.787  7.4487  14.975  7.3300  -0.1874599     10.45046 
1 1 1 -28 10  22 f 15.381  7.3088  22.653     74.131   117.008    114.417  -45.6098   97.320   18.611  8.9087  14.320  7.1248  4.290399       11.40734 
1 1 1 -28 10  23 o 21.955  10.141  245.277    126.542  0.0000     0.0000   245.277    126.542  ?       ?       21.955  10.141  0.000000       10.14109 
1 1 1 -28 10  24 o 14.315  7.1068  -30.4703   94.721   -120.7255  212.749  -8.1560    105.784  ?       ?       15.119  7.5067  0.000000       7.506676 
1 1 1 -28 10  25 o 15.666  7.3507  40.669     70.741   -3.3573    102.239  81.106     97.982   14.994  7.4332  17.163  8.2233  -2.169755      11.08489 
1 1 1 -28 10  26 o 14.125  7.0052  -22.7013   91.100   -22.7013   91.100   0.0000     0.0000   14.125  7.0052  ?       ?       0.000000       7.005209 
1 1 1 -28 10  27 o 16.715  8.0563  77.243     97.372   77.243     97.372   0.0000     0.0000   16.715  8.0563  ?       ?       0.000000       8.056321 
1 1 1 -28 10  28 o 20.861  9.6117  223.184    112.631  223.184    112.631  0.0000     0.0000   20.861  9.6117  ?       ?       0.000000       9.611670 
1 1 1 -28 10  29 o 24.449  9.3183  196.604    76.706   143.116    105.534  256.507    111.684  18.325  8.7115  22.179  9.9619  -3.854568      13.23366 
1 1 1 -28 10  30 o 15.742  7.6005  52.613     87.616   362.011    248.944  8.8695     93.605   ?       ?       14.629  7.2268  0.000000       7.226834 
1 1 1 -28 10  31 o 15.105  7.1772  38.165     71.453   8.6580     104.409  64.158     97.996   14.802  7.3671  16.044  7.8149  -1.241605      10.73993 
1 1 1 -28 10  32 o 14.898  7.0903  33.261     70.305   23.578     107.308  40.543     93.059   15.147  7.5273  15.400  7.5262  -0.2531471     10.64448 
1 1 1 -28 10  33 o 13.599  6.7919  -37.0603   92.093   -7.6095    97.018   -305.1996  292.742  14.351  7.1360  ?       ?       0.000000       7.136032 
1 1 1 -28 10  34 f 16.264  8.0210  72.032     113.549  82.404     126.037  27.336     261.633  16.412  8.1564  ?       ?       0.000000       8.156367 
1 1 1 -28 10  35 o ?       ?       -157.9725  96.024   -150.5451  105.321  -194.5608  233.758  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 10  36 o 12.809  6.2775  -20.3969   66.099   -76.6922   108.050  13.269     83.557   13.398  6.7742  14.452  7.0772  -1.053743      9.796740 
1 1 1 -28 10  37 o 14.946  7.0744  39.943     68.152   46.678     109.303  35.659     87.172   15.392  7.6399  14.990  7.3166  0.4019318      10.57832 
1 1 1 -28 10  38 o 16.774  8.1895  120.607    109.385  0.0000     0.0000   120.607    109.385  ?       ?       16.774  8.1895  0.000000       8.189460 
1 1 1 -28 10  39 o 13.749  6.8890  -4.9477    98.256   0.0000     0.0000   -4.9477    98.256   ?       ?       13.749  6.8890  0.000000       6.889048 
1 1 1 -28 11  1  o 16.868  7.9462  42.640     84.109   204.292    199.197  7.5665     92.786   19.686  9.8553  15.896  7.7110  3.789722       12.51342 
1 1 1 -28 11  2  o 16.966  8.0033  42.426     85.875   134.835    187.359  17.850     96.622   19.027  9.5302  16.375  7.9252  2.651247       12.39487 
1 1 1 -28 11  3  o 20.929  8.5231  106.798    68.082   253.807    101.479  -13.5306   91.810   27.669  10.675  15.385  7.5092  12.28436       13.05148 
1 1 1 -28 11  4  o 31.415  9.1925  225.550    74.529   181.417    111.222  261.516    100.405  22.378  10.004  28.602  10.715  -6.224005      14.65888 
1 1 1 -28 11  5  o 26.627  9.0483  169.544    69.838   102.278    99.525   234.795    98.023   19.522  9.0088  27.142  10.486  -7.620058      13.82432 
1 1 1 -28 11  6  o 23.230  8.8380  132.639    68.924   93.632     97.696   171.294    97.253   19.242  8.8959  23.100  9.8493  -3.857700      13.27203 
1 1 1 -28 11  7  o 20.753  8.5319  102.946    69.040   38.021     93.534   180.660    102.332  17.159  8.1698  23.220  10.006  -6.061321      12.91747 
1 1 1 -28 11  8  o 13.267  6.4288  -32.9964   64.037   19.437     90.754   -84.9863   90.370   16.476  7.8995  13.695  6.8221  2.781446       10.43754 
1 1 1 -28 11  9  o 16.983  8.0477  35.668     88.674   74.339     95.945   -190.8530  232.213  18.515  8.6465  ?       ?       0.000000       8.646517 
1 1 1 -28 11  10 o 19.356  8.3080  84.451     70.029   6.9752     95.748   173.569    102.689  16.224  7.8614  22.784  9.9200  -6.560038      12.65733 
1 1 1 -28 11  11 o 30.268  9.1726  210.690    73.195   228.148    101.175  191.520    106.020  26.192  10.488  23.406  10.135  2.786055       14.58457 
1 1 1 -28 11  12 o 16.954  7.6784  46.154     67.962   106.320    102.426  -1.1702    90.840   19.590  9.0749  15.759  7.6413  3.830330       11.86353 
1 1 1 -28 11  13 o 19.240  8.3375  85.552     71.861   107.826    105.363  66.181     98.260   19.514  9.0953  18.053  8.5298  1.460903       12.46924 
1 1 1 -28 11  14 o 18.869  8.8988  92.699     106.035  26.958     122.166  293.498    213.508  17.127  8.4219  20.793  10.379  -3.665962      13.36580 
1 1 1 -28 11  15 o 25.581  10.803  260.068    115.127  136.476    132.994  629.573    229.957  19.634  9.4515  25.116  12.173  -5.481890      15.41165 
1 1 1 -28 11  16 o 30.497  11.431  338.730    114.321  283.150    132.604  499.629    225.618  24.364  10.905  22.922  11.305  1.441753       15.70726 
1 1 1 -28 11  17 o 14.363  6.8552  -2.0047    66.686   -48.0553   110.926  24.059     83.451   15.079  7.5191  16.021  7.6526  -0.9420805     10.72844 
1 1 1 -28 11  18 o 15.129  7.2086  11.571     73.092   86.225     136.137  -18.6649   86.638   18.006  8.8609  14.722  7.2087  3.284462       11.42285 
1 1 1 -28 11  19 o 12.706  6.2850  -59.1670   71.600   55.105     132.774  -106.0226  85.021   17.236  8.5317  12.574  6.3148  4.662425       10.61445 
1 1 1 -28 11  20 o 17.695  8.0703  73.385     76.744   57.066     139.781  80.427     91.821   17.140  8.5297  17.814  8.3637  -0.6735668     11.94601 
1 1 1 -28 11  21 o 17.158  7.9192  65.310     76.953   89.588     131.678  52.717     94.833   17.585  8.6656  16.688  8.0205  0.8971348      11.80769 
1 1 1 -28 11  22 o 24.005  10.729  306.484    127.885  0.0000     0.0000   306.484    127.885  ?       ?       24.005  10.729  0.000000       10.72936 
1 1 1 -28 11  23 o 17.686  8.4679  97.299     103.495  193.448    220.071  69.995     117.273  ?       ?       16.844  8.2764  0.000000       8.276366 
1 1 1 -28 11  24 o 14.886  7.2944  8.4058     89.193   -230.7132  216.327  57.381     97.902   ?       ?       16.354  7.9305  0.000000       7.930482 
1 1 1 -28 11  25 o 16.493  7.8703  66.182     87.842   67.776     96.191   58.173     215.569  16.500  7.9660  ?       ?       0.000000       7.966041 
1 1 1 -28 11  26 o 13.558  6.7998  -53.6607   96.869   -53.6607   96.869   0.0000     0.0000   13.558  6.7998  ?       ?       0.000000       6.799782 
1 1 1 -28 11  27 o 14.624  7.2252  6.4963     93.646   6.4963     93.646   0.0000     0.0000   14.624  7.2252  ?       ?       0.000000       7.225195 
1 1 1 -28 11  28 o 13.013  6.3925  -21.3615   69.862   -69.2337   99.966   24.342     97.675   13.275  6.6898  15.037  7.4201  -1.762127      9.990558 
1 1 1 -28 11  29 o 15.760  7.4941  55.225     78.206   193.176    228.084  36.845     83.253   ?       ?       15.153  7.3392  0.000000       7.339194 
1 1 1 -28 11  30 o 21.559  8.9059  161.245    75.691   85.410     113.178  222.609    101.808  16.385  8.0664  21.548  9.6063  -5.162336      12.54383 
1 1 1 -28 11  31 o 15.849  7.4063  57.217     70.592   124.883    101.680  -5.7435    98.081   17.684  8.4469  14.326  7.1317  3.358212       11.05493 
1 1 1 -28 11  32 o 11.988  6.0534  -102.2076  84.275   -83.5098   88.954   -266.0634  263.330  12.548  6.3220  ?       ?       0.000000       6.321971 
1 1 1 -28 11  33 o 16.436  8.0525  81.962     108.530  81.962     108.530  0.0000     0.0000   16.436  8.0525  ?       ?       0.000000       8.052549 
1 1 1 -28 11  34 o ?       ?       -159.7810  94.062   -138.9581  100.647  -303.4532  264.373  12.276  6.2401  ?       ?       0.000000       6.240087 
1 1 1 -28 11  35 o 12.649  6.2674  -36.8594   72.308   106.047    111.444  -140.7608  95.026   16.839  8.2309  11.936  6.0670  4.903103       10.22524 
1 1 1 -28 11  36 o 13.033  6.3844  -12.4351   68.162   37.592     110.012  -43.6055   86.838   15.172  7.5528  13.059  6.5333  2.112427       9.986444 
1 1 1 -28 11  37 o 13.777  6.8525  -6.0983    89.782   0.0000     0.0000   -6.0983    89.782   ?       ?       13.777  6.8525  0.000000       6.852525 
1 1 1 -28 11  38 o 14.541  7.2392  34.658     101.145  0.0000     0.0000   34.658     101.145  ?       ?       14.541  7.2392  0.000000       7.239181 
1 1 1 -28 11  39 o 13.812  6.9232  15.077     99.681   0.0000     0.0000   15.077     99.681   ?       ?       13.812  6.9232  0.000000       6.923244 
1 1 1 -28 12  1  o 20.775  9.1365  132.118    89.076   -26.7771   219.283  163.520    97.482   ?       ?       21.873  9.5902  0.000000       9.590177 
1 1 1 -28 12  2  o 20.460  8.4083  103.363    67.020   68.731     99.736   131.876    90.497   17.857  8.4831  20.787  9.1727  -2.929562      12.49407 
1 1 1 -28 12  3  o 13.430  6.4753  -22.0082   63.035   106.609    94.437   -125.3564  84.653   19.472  8.9082  12.362  6.2203  7.109355       10.86498 
1 1 1 -28 12  4  o 25.931  9.2178  172.056    72.894   109.002    108.891  223.255    98.123   19.294  9.0743  25.804  10.330  -6.510599      13.74955 
1 1 1 -28 12  5  o 11.681  5.7787  -70.0086   60.597   -151.1155  87.609   4.3871     83.906   12.163  6.1454  15.553  7.4920  -3.390726      9.689962 
1 1 1 -28 12  6  o 13.115  6.3507  -30.4654   62.251   27.153     86.819   -91.4342   89.307   16.443  7.8405  13.379  6.6831  3.063914       10.30231 
1 1 1 -28 12  7  o 27.646  9.1882  186.017    72.029   147.366    100.153  227.428    103.668  21.318  9.5142  25.441  10.457  -4.123184      14.13719 
1 1 1 -28 12  8  o 35.099  8.8788  263.986    75.671   252.198    105.796  276.333    108.275  26.725  10.716  27.913  10.954  -1.188524      15.32424 
1 1 1 -28 12  9  o 21.678  8.8841  123.857    74.561   91.888     97.471   168.952    115.764  18.948  8.8037  21.395  9.8155  -2.446606      13.18517 
1 1 1 -28 12  10 o 15.252  7.1518  15.089     66.772   55.413     94.358   -25.3600   94.503   17.554  8.3134  15.136  7.4356  2.417833       11.15345 
1 1 1 -28 12  11 o 18.150  8.0472  69.586     70.464   45.413     96.955   96.649     102.587  17.203  8.2259  18.982  8.8891  -1.778809      12.11122 
1 1 1 -28 12  12 o 12.990  6.3419  -40.4965   65.601   -30.5222   93.407   -50.2050   92.154   14.901  7.3343  14.373  7.1133  0.5280323      10.21721 
1 1 1 -28 12  13 o 13.809  6.8850  -76.2573   92.928   -45.2843   100.651  -255.1857  241.916  14.825  7.3538  ?       ?       0.000000       7.353806 
1 1 1 -28 12  14 o 12.488  6.2822  -120.9677  86.055   -139.2358  93.269   -16.3956   223.151  12.641  6.3813  ?       ?       0.000000       6.381327 
1 1 1 -28 12  15 o 12.408  6.2635  -137.5436  89.768   -121.9049  99.054   -209.4206  212.357  13.217  6.6602  ?       ?       0.000000       6.660204 
1 1 1 -28 12  16 o 16.700  7.5927  49.818     67.261   -33.0840   99.675   119.131    91.141   14.867  7.3647  19.782  8.9314  -4.915068      11.57624 
1 1 1 -28 12  17 o 21.220  8.8969  130.856    77.171   162.167    133.029  114.975    94.742   19.611  9.4432  19.302  8.8643  0.3087482      12.95187 
1 1 1 -28 12  18 o 24.846  9.5344  187.169    80.650   152.145    136.781  205.834    99.854   19.077  9.2788  23.276  9.9536  -4.199175      13.60769 
1 1 1 -28 12  19 o 11.320  5.6699  -94.6627   66.331   -143.2709  124.750  -75.5033   78.321   13.799  7.0079  12.642  6.3063  1.156957       9.427614 
1 1 1 -28 12  20 o 16.704  7.7405  57.908     74.610   -16.2155   132.353  92.434     90.330   15.604  7.8421  18.004  8.4016  -2.399657      11.49285 
1 1 1 -28 12  21 o 22.228  9.7829  206.832    102.293  271.057    288.682  197.610    109.391  ?       ?       21.114  9.6317  0.000000       9.631744 
1 1 1 -28 12  22 o 14.156  6.9930  -19.8499   87.589   -393.4656  273.628  22.803     92.453   ?       ?       15.387  7.5160  0.000000       7.515981 
1 1 1 -28 12  23 o 20.674  9.4245  190.783    104.497  0.0000     0.0000   190.783    104.497  ?       ?       20.674  9.4245  0.000000       9.424504 
1 1 1 -28 12  24 f 14.438  7.0230  9.7334     78.399   -5.6949    127.997  18.997     99.182   15.126  7.6157  15.141  7.4725  -0.1584530E-01 10.66945 
1 1 1 -28 12  25 o 19.041  9.1967  203.596    128.545  203.596    128.545  0.0000     0.0000   19.041  9.1967  ?       ?       0.000000       9.196747 
1 1 1 -28 12  26 o 15.290  7.6451  25.671     118.157  25.671     118.157  0.0000     0.0000   15.290  7.6451  ?       ?       0.000000       7.645100 
1 1 1 -28 12  27 o 14.474  6.9709  22.586     72.587   23.792     94.148   20.820     113.979  14.901  7.3399  15.083  7.5365  -0.1814489     10.52015 
1 1 1 -28 12  28 o 17.063  8.0001  92.726     83.536   312.027    243.430  63.454     88.937   ?       ?       15.924  7.6810  0.000000       7.680968 
1 1 1 -28 12  29 o 28.118  9.8327  261.861    82.676   389.243    122.066  153.900    112.376  26.226  11.103  18.023  8.6788  8.203333       14.09218 
1 1 1 -28 12  30 o 11.408  5.6974  -66.9321   64.742   20.610     98.964   -132.4307  85.602   14.830  7.3452  11.531  5.8508  3.299024       9.390609 
1 1 1 -28 12  31 o 20.611  8.7171  148.043    75.136   133.792    107.507  161.650    105.051  17.666  8.5026  18.661  8.8178  -0.9946213     12.24940 
1 1 1 -28 12  32 o 20.519  9.4931  223.905    111.551  243.267    118.989  83.393     320.549  20.535  9.6027  ?       ?       0.000000       9.602702 
1 1 1 -28 12  33 o 15.577  7.6405  50.415     98.603   71.335     104.127  -131.2095  306.805  16.088  7.8830  ?       ?       0.000000       7.882963 
1 1 1 -28 12  34 o 13.026  6.3704  -12.6942   67.018   -81.3828   96.420   51.506     93.217   12.826  6.4764  15.511  7.5698  -2.684874      9.962231 
1 1 1 -28 12  35 o 9.6436  4.8988  -137.2097  61.290   -45.2259   89.458   -218.5819  84.140   13.090  6.5609  ?       ?       0.000000       6.560905 
1 1 1 -28 12  36 o 14.245  7.0312  17.461     87.945   0.0000     0.0000   17.461     87.945   ?       ?       14.245  7.0312  0.000000       7.031196 
1 1 1 -28 12  37 o 13.118  6.5607  -22.3560   87.233   0.0000     0.0000   -22.3560   87.233   ?       ?       13.118  6.5607  0.000000       6.560723 
1 1 1 -28 12  38 o 13.018  6.5603  -26.4608   96.159   0.0000     0.0000   -26.4608   96.159   ?       ?       13.018  6.5603  0.000000       6.560339 
1 1 1 -28 13  1  f 16.176  7.4312  40.445     66.660   152.141    109.165  -25.9684   84.177   20.336  9.4024  14.374  7.0522  5.962682       11.75329 
1 1 1 -28 13  2  o 15.713  7.3114  29.536     67.637   102.014    104.363  -22.9552   88.814   18.741  8.8354  14.709  7.2220  4.032733       11.41144 
1 1 1 -28 13  3  o 19.724  8.4407  99.424     71.898   149.873    108.571  60.020     95.952   20.473  9.4344  17.416  8.2875  3.056984       12.55751 
1 1 1 -28 13  4  o 15.448  7.1878  24.099     65.350   53.565     94.797   -2.5852    90.212   17.238  8.2124  15.392  7.4974  1.846723       11.12001 
1 1 1 -28 13  5  o 34.013  8.8776  254.102    74.048   222.532    104.337  286.139    105.105  24.519  10.316  28.589  10.905  -4.069786      15.01120 
1 1 1 -28 13  6  o 14.515  6.8893  2.4823     65.503   -55.1400   93.392   58.275     91.897   14.251  7.0719  17.441  8.2433  -3.190034      10.86117 
1 1 1 -28 13  7  o 14.689  6.9377  7.1839     64.895   -74.0324   95.622   76.532     88.360   13.970  6.9683  18.177  8.4233  -4.207034      10.93200 
1 1 1 -28 13  8  o 18.126  7.9306  70.659     66.351   -10.9685   94.644   149.552    93.046   15.366  7.5266  21.546  9.4101  -6.179874      12.04986 
1 1 1 -28 13  9  o 18.688  8.1712  81.116     70.335   40.116     96.145   128.320    103.162  16.854  8.0939  19.965  9.1988  -3.110943      12.25276 
1 1 1 -28 13  10 o 34.068  9.3460  271.041    79.584   289.150    109.049  250.405    116.407  27.925  10.982  24.480  10.610  3.445246       15.27013 
1 1 1 -28 13  11 o 14.261  6.8495  -7.4404    68.909   -61.7047   93.925   55.818     101.410  14.083  7.0054  17.325  8.3181  -3.242873      10.87508 
1 1 1 -28 13  12 o 17.339  8.3420  57.809     103.266  4.3347     113.062  326.900    253.626  16.124  7.9612  19.708  10.007  -3.584198      12.78741 
1 1 1 -28 13  13 o 15.327  7.5085  -5.7956    94.304   -46.1795   101.695  242.120    251.969  14.666  7.2947  ?       ?       0.000000       7.294721 
1 1 1 -28 13  14 o 18.598  8.7250  99.890     99.610   96.379     109.151  117.381    243.624  18.320  8.7509  ?       ?       0.000000       8.750875 
1 1 1 -28 13  15 o 16.753  7.6021  53.433     67.015   94.183     94.704   12.563     94.843   18.366  8.5814  15.695  7.6545  2.671081       11.49924 
1 1 1 -28 13  16 o 15.148  7.1974  18.706     71.851   -27.5763   112.899  50.213     93.151   15.189  7.5757  16.696  8.0042  -1.506680      11.02079 
1 1 1 -28 13  17 o 17.833  8.1779  80.831     80.237   211.160    133.103  6.4372     100.562  20.487  9.7519  15.495  7.6233  4.991997       12.37802 
1 1 1 -28 13  18 o 14.576  6.9971  8.1554     71.691   -174.2165  129.405  88.917     86.114   ?       ?       17.938  8.3137  0.000000       8.313748 
1 1 1 -28 13  19 o 24.416  9.5869  196.857    82.978   230.032    140.876  179.233    102.679  20.138  9.7021  20.874  9.4472  -0.7361584     13.54183 
1 1 1 -28 13  20 f 23.349  10.323  268.087    115.133  853.645    291.184  159.579    125.347  21.160  10.742  18.753  9.0636  2.407276       14.05498 
1 1 1 -28 13  21 o 20.437  9.2889  176.679    100.562  302.765    288.378  159.224    107.297  ?       ?       19.288  9.0509  0.000000       9.050866 
1 1 1 -28 13  22 o 15.227  7.3446  31.833     81.302   172.144    153.170  -23.2055   95.932   17.831  8.8822  14.161  7.0500  3.670029       11.33998 
1 1 1 -28 13  23 o 19.566  8.4945  126.040    74.872   -35.8831   135.120  197.786    89.943   14.726  7.4589  22.196  9.4681  -7.470568      12.05326 
1 1 1 -28 13  24 o 17.616  8.7290  164.903    140.335  164.903    140.335  0.0000     0.0000   17.616  8.7290  ?       ?       0.000000       8.728952 
1 1 1 -28 13  25 o 15.471  7.7556  39.671     125.223  39.671     125.223  0.0000     0.0000   15.471  7.7556  ?       ?       0.000000       7.755581 
1 1 1 -28 13  26 o 14.160  6.9665  5.3906     83.977   -45.6865   124.884  47.550     113.459  14.165  7.1746  15.483  7.7017  -1.318013      10.52573 
1 1 1 -28 13  27 o 19.889  9.0966  184.607    98.376   382.427    248.023  147.674    107.167  ?       ?       17.964  8.6052  0.000000       8.605198 
1 1 1 -28 13  28 o 17.084  8.0673  100.178    87.649   34.669     282.435  107.160    92.201   ?       ?       17.188  8.1627  0.000000       8.162744 
1 1 1 -28 13  29 o 12.743  6.2409  -17.4172   65.029   18.182     104.156  -40.1594   83.249   14.766  7.3506  13.007  6.4903  1.759220       9.805922 
1 1 1 -28 13  30 o 13.910  6.7469  10.474     70.980   66.864     106.841  -34.0775   94.967   15.838  7.8048  13.567  6.7941  2.270526       10.34764 
1 1 1 -28 13  31 o 19.942  9.3992  228.459    117.985  233.048    128.408  203.582    298.958  19.335  9.3023  ?       ?       0.000000       9.302278 
1 1 1 -28 13  32 o 18.108  8.7253  161.350    114.027  200.550    123.595  -62.8259   295.563  18.713  9.0330  ?       ?       0.000000       9.032984 
1 1 1 -28 13  33 o 10.391  5.2099  -80.4003   56.679   -246.7429  95.885   8.9381     70.269   ?       ?       13.806  6.7004  0.000000       6.700416 
1 1 1 -28 13  34 o 12.974  6.3631  -12.0565   68.336   20.619     103.885  -36.9796   90.729   14.663  7.3058  13.245  6.6340  1.417317       9.868384 
1 1 1 -28 13  35 o 11.665  5.8060  -48.5564   64.889   -3.6928    102.245  -78.8120   83.965   13.998  7.0155  12.075  6.0905  1.923083       9.290435 
1 1 1 -28 13  36 o 16.616  8.0702  127.447    102.465  0.0000     0.0000   127.447    102.465  ?       ?       16.616  8.0702  0.000000       8.070156 
1 1 1 -28 13  37 o ?       ?       -140.6374  75.230   0.0000     0.0000   -140.6374  75.230   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 14  1  o 11.721  5.7995  -62.8015   61.140   26.216     106.378  -106.7107  74.712   16.229  7.9554  11.784  5.9186  4.444245       9.915531 
1 1 1 -28 14  2  o 21.660  8.8179  131.978    72.842   21.674     112.571  211.432    95.541   16.281  8.0208  24.334  10.024  -8.053127      12.83816 
1 1 1 -28 14  3  o 22.388  8.9690  142.098    74.031   210.406    110.834  87.073     99.475   22.557  10.042  18.101  8.5615  4.456194       13.19633 
1 1 1 -28 14  4  o 31.898  9.5667  256.352    79.923   151.892    117.052  347.588    109.392  19.915  9.3790  31.440  11.280  -11.52580      14.66965 
1 1 1 -28 14  5  o 16.809  7.6524  52.318     68.603   127.725    97.339   -22.1066   96.704   19.843  9.0650  14.975  7.3881  4.868095       11.69440 
1 1 1 -28 14  6  o 27.768  9.5077  207.174    77.115   234.929    109.381  179.745    108.738  24.113  10.367  21.493  9.7250  2.620827       14.21474 
1 1 1 -28 14  7  o 31.845  9.5161  252.781    79.187   260.084    110.238  244.996    113.821  25.405  10.642  24.094  10.467  1.310801       14.92650 
1 1 1 -28 14  8  o 25.160  9.1505  169.583    72.305   261.215    102.197  77.741     102.314  26.838  10.607  17.846  8.5099  8.992010       13.59873 
1 1 1 -28 14  9  o 23.059  8.9664  146.161    72.032   123.932    96.713   173.855    107.948  19.678  9.0072  21.235  9.6409  -1.556747      13.19378 
1 1 1 -28 14  10 o 19.635  8.8940  118.894    91.236   100.599    97.684   243.914    255.354  18.643  8.7121  ?       ?       0.000000       8.712147 
1 1 1 -28 14  11 o 15.964  7.7363  22.978     92.808   64.919     100.020  -236.7729  248.913  17.323  8.3020  ?       ?       0.000000       8.301974 
1 1 1 -28 14  12 o 22.118  9.8456  196.466    106.510  180.009    116.109  283.831    267.524  20.723  9.6218  ?       ?       0.000000       9.621794 
1 1 1 -28 14  13 o 14.582  7.1958  -24.0261   91.917   5.3254     98.625   -218.0388  253.562  15.512  7.6152  ?       ?       0.000000       7.615223 
1 1 1 -28 14  14 o 15.472  7.2561  30.111     68.785   -14.5843   99.808   70.543     94.930   15.007  7.4227  17.283  8.2292  -2.275752      11.08228 
1 1 1 -28 14  15 o 17.281  7.9738  69.951     77.939   184.034    125.890  -0.9510    99.245   19.925  9.4843  15.227  7.5074  4.697635       12.09604 
1 1 1 -28 14  16 o 22.418  9.1036  157.286    77.398   107.030    124.546  188.907    98.791   17.787  8.6957  21.836  9.6121  -4.048283      12.96174 
1 1 1 -28 14  17 o 26.586  9.7723  223.552    82.780   190.443    133.142  244.416    105.691  19.418  9.3738  23.702  10.191  -4.284452      13.84638 
1 1 1 -28 14  18 o 17.976  8.6626  118.327    112.481  0.0000     0.0000   118.327    112.481  ?       ?       17.976  8.6626  0.000000       8.662566 
1 1 1 -28 14  19 o 15.049  7.3792  15.079     91.739   4.4284     265.640  16.521     97.754   ?       ?       15.202  7.4866  0.000000       7.486565 
1 1 1 -28 14  20 o 22.089  9.8910  238.993    109.214  242.143    285.569  238.454    118.200  ?       ?       21.114  9.7696  0.000000       9.769597 
1 1 1 -28 14  21 o 17.503  8.0241  91.338     77.165   172.936    138.487  54.597     92.928   17.992  8.8700  15.899  7.7136  2.092527       11.75484 
1 1 1 -28 14  22 o 12.182  6.0437  -47.5170   68.043   -105.9032  129.866  -25.4238   79.886   ?       ?       13.356  6.6120  0.000000       6.612048 
1 1 1 -28 14  23 o 14.093  7.1340  -50.8478   122.273  -50.8478   122.273  0.0000     0.0000   14.093  7.1340  ?       ?       0.000000       7.134042 
1 1 1 -28 14  24 o 14.911  7.5387  4.3623     133.625  4.3623     133.625  0.0000     0.0000   14.911  7.5387  ?       ?       0.000000       7.538749 
1 1 1 -28 14  25 o 19.214  9.3983  280.947    146.053  280.947    146.053  0.0000     0.0000   19.214  9.3983  ?       ?       0.000000       9.398259 
1 1 1 -28 14  26 o 13.706  6.7805  -7.6419    83.414   -43.9158   305.618  -4.7223    86.706   ?       ?       13.871  6.8709  0.000000       6.870873 
1 1 1 -28 14  27 o 13.492  6.6971  -16.7247   83.983   166.667    266.764  -36.9010   88.483   ?       ?       13.212  6.6077  0.000000       6.607675 
1 1 1 -28 14  28 o 15.627  7.4348  59.093     77.155   150.182    135.688  15.569     93.794   16.965  8.4363  14.476  7.1663  2.489490       11.06918 
1 1 1 -28 14  29 f 14.768  7.0893  35.655     73.593   35.648     126.001  35.658     90.665   15.183  7.6330  14.946  7.3301  0.2367716      10.58271 
1 1 1 -28 14  30 o 17.954  8.6256  153.150    109.429  145.163    116.349  214.360    322.105  17.475  8.5126  ?       ?       0.000000       8.512556 
1 1 1 -28 14  31 o 15.109  7.4731  37.787     101.177  37.561     106.652  39.817     319.896  15.140  7.5205  ?       ?       0.000000       7.520468 
1 1 1 -28 14  32 o 27.665  9.7431  257.844    81.255   307.284    114.440  207.579    115.391  23.040  10.233  19.119  9.0949  3.921360       13.69095 
1 1 1 -28 14  33 o 13.947  6.7054  20.696     66.431   39.827     99.475   5.2956     89.249   14.942  7.3939  14.026  6.9521  0.9152660      10.14892 
1 1 1 -28 14  34 o 14.173  6.8596  27.978     72.391   69.060     107.823  -5.7390    97.681   15.362  7.6189  13.808  6.9109  1.554390       10.28628 
1 1 1 -28 14  35 o 16.621  8.0796  132.289    103.318  0.0000     0.0000   132.289    103.318  ?       ?       16.621  8.0796  0.000000       8.079633 
1 1 1 -28 14  36 f 13.355  6.6822  2.5546     90.954   0.0000     0.0000   2.5546     90.954   ?       ?       13.355  6.6822  0.000000       6.682189 
1 1 1 -28 15  1  f 18.103  7.8703  79.065     64.450   -79.4535   112.207  157.115    78.734   14.154  7.1269  22.418  9.1516  -8.264289      11.59935 
1 1 1 -28 15  2  o 20.531  8.7506  125.788    76.710   209.441    115.623  60.016     102.524  21.560  9.8612  16.920  8.1826  4.640095       12.81399 
1 1 1 -28 15  3  o 13.725  6.6170  -10.0496   65.817   -79.4628   104.153  36.096     84.921   13.911  6.9870  16.058  7.6838  -2.146847      10.38547 
1 1 1 -28 15  4  f 13.493  6.5481  -19.2458   67.101   -93.7048   98.384   45.516     91.754   13.429  6.7504  16.493  7.9168  -3.064302      10.40404 
1 1 1 -28 15  5  o 15.144  7.1937  19.058     71.701   74.855     104.504  -30.5689   98.557   17.456  8.3968  14.668  7.2762  2.788070       11.11081 
1 1 1 -28 15  6  o 14.419  6.8906  4.5390     67.841   74.659     99.267   -56.9147   92.930   17.484  8.3500  13.884  6.9165  3.600636       10.84255 
1 1 1 -28 15  7  o 17.159  7.8092  63.034     71.373   162.250    104.427  -23.9427   97.775   20.590  9.3996  14.789  7.3204  5.800830       11.91390 
1 1 1 -28 15  8  o 17.647  7.9344  72.310     71.051   57.814     103.230  85.359     97.942   16.947  8.1992  17.831  8.4520  -0.8847828     11.77553 
1 1 1 -28 15  9  o 16.712  8.1612  49.131     108.853  91.133     118.308  -182.5678  277.871  17.758  8.6357  ?       ?       0.000000       8.635691 
1 1 1 -28 15  10 o 16.621  7.9697  51.188     92.437   165.132    98.452   -796.7545  268.574  20.998  9.3977  ?       ?       0.000000       9.397688 
1 1 1 -28 15  11 o 12.541  6.3107  -106.4712  87.217   -115.1458  93.077   -44.0213   249.739  12.727  6.4188  ?       ?       0.000000       6.418788 
1 1 1 -28 15  12 o 19.392  8.5475  111.621    78.368   126.550    116.726  99.370     105.744  18.520  8.9005  17.946  8.5835  0.5749569      12.36508 
1 1 1 -28 15  13 o 12.521  6.2014  -54.8136   70.509   -121.4974  111.659  -10.5882   90.932   13.435  6.8024  14.662  7.2204  -1.227302      9.920037 
1 1 1 -28 15  14 o 21.733  9.0843  154.816    80.094   241.829    123.577  91.790     105.174  21.603  9.9936  17.524  8.4281  4.079390       13.07308 
1 1 1 -28 15  15 f 12.925  6.3864  -42.5073   73.229   -50.5350   117.442  -37.4009   93.667   14.533  7.3142  14.014  6.9751  0.5191231      10.10689 
1 1 1 -28 15  16 o 24.497  9.5469  200.737    81.799   194.124    132.514  204.808    103.972  19.224  9.2981  21.515  9.6412  -2.291311      13.39431 
1 1 1 -28 15  17 o 14.613  7.2199  -2.7433    93.548   -39.3333   211.429  6.1635     104.314  ?       ?       15.050  7.4693  0.000000       7.469312 
1 1 1 -28 15  18 o 15.160  7.4755  20.711     98.528   237.813    232.128  -26.9984   108.816  ?       ?       14.413  7.2258  0.000000       7.225770 
1 1 1 -28 15  19 o 20.405  9.6167  240.539    123.448  0.0000     0.0000   240.539    123.448  ?       ?       20.405  9.6167  0.000000       9.616679 
1 1 1 -28 15  20 o 13.943  6.7905  4.5148     73.903   -136.5188  126.663  77.307     90.998   ?       ?       16.449  7.8928  0.000000       7.892761 
1 1 1 -28 15  21 o 20.630  8.8783  159.073    80.363   145.792    138.262  165.848    98.758   17.105  8.5072  19.195  8.8988  -2.090776      12.31106 
1 1 1 -28 15  22 o 15.833  7.8689  69.710     117.403  76.013     136.027  51.306     232.453  15.877  7.9757  ?       ?       0.000000       7.975669 
1 1 1 -28 15  23 o 19.235  9.4298  296.734    149.542  296.734    149.542  0.0000     0.0000   19.235  9.4298  ?       ?       0.000000       9.429819 
1 1 1 -28 15  24 o 14.156  7.1928  -42.7742   132.785  -42.7742   132.785  0.0000     0.0000   14.156  7.1928  ?       ?       0.000000       7.192811 
1 1 1 -28 15  25 o 11.413  5.7680  -102.4959  77.569   151.613    293.190  -121.6213  80.435   ?       ?       11.270  5.7135  0.000000       5.713512 
1 1 1 -28 15  26 o 19.763  9.0782  193.601    99.457   189.330    245.320  194.441    108.799  ?       ?       19.005  8.9783  0.000000       8.978321 
1 1 1 -28 15  27 o 12.936  6.3373  -10.8567   67.183   -173.2802  123.803  56.939     79.985   ?       ?       15.436  7.4046  0.000000       7.404616 
1 1 1 -28 15  28 o 21.718  9.1003  183.878    80.662   356.638    128.638  71.934     103.549  22.711  10.393  15.757  7.7489  6.954742       12.96360 
1 1 1 -28 15  29 o 14.583  7.3340  5.4604     116.842  8.8898     139.350  -2.6590    214.415  14.855  7.5297  ?       ?       0.000000       7.529719 
1 1 1 -28 15  30 o 15.064  7.5593  34.761     120.542  123.384    149.169  -132.0201  204.634  16.272  8.1966  ?       ?       0.000000       8.196598 
1 1 1 -28 15  31 o 15.727  7.4240  63.905     74.135   109.529    109.330  25.072     100.866  16.524  8.0927  14.666  7.2897  1.858290       10.89179 
1 1 1 -28 15  32 o 14.180  6.8120  27.990     68.219   -23.0606   98.264   75.486     94.782   13.581  6.8163  15.727  7.6659  -2.145829      10.25804 
1 1 1 -28 15  33 o 22.576  9.1238  197.406    77.342   126.602    109.930  266.804    108.834  16.491  8.0845  21.036  9.6006  -4.545467      12.55116 
1 1 1 -28 15  34 o 14.231  7.0671  33.026     93.970   0.0000     0.0000   33.026     93.970   ?       ?       14.231  7.0671  0.000000       7.067087 
1 1 1 -28 15  35 o ?       ?       -171.2124  73.825   0.0000     0.0000   -171.2124  73.825   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 16  1  o 16.268  7.3585  52.554     62.198   21.704     114.737  65.393     74.017   15.808  7.8435  16.880  7.7826  -1.072138      11.04940 
1 1 1 -28 16  2  o 17.887  8.0386  83.505     72.836   141.476    108.790  36.410     98.055   19.042  8.9904  15.987  7.7936  3.055349       11.89824 
1 1 1 -28 16  3  o 20.836  8.6979  129.760    73.287   154.058    108.920  109.661    99.066   19.531  9.1503  18.313  8.6257  1.218180       12.57496 
1 1 1 -28 16  4  o 13.543  6.5943  -17.7459   69.597   56.389     101.791  -82.8257   95.372   16.622  8.0663  13.323  6.6907  3.299356       10.47999 
1 1 1 -28 16  5  o 16.428  7.5650  53.455     69.647   205.017    102.546  -76.3273   94.892   22.268  9.7980  13.426  6.7333  8.841578       11.88851 
1 1 1 -28 16  6  o 16.776  7.6913  60.393     70.912   26.450     103.925  89.964     97.001   15.884  7.8016  17.710  8.3993  -1.825992      11.46356 
1 1 1 -28 16  7  o 20.547  9.3408  167.659    101.767  186.241    108.178  24.678     300.073  20.865  9.5414  ?       ?       0.000000       9.541433 
1 1 1 -28 16  8  o 16.847  8.2459  65.337     113.015  17.915     123.604  307.071    279.070  15.938  7.9458  ?       ?       0.000000       7.945781 
1 1 1 -28 16  9  o 14.891  7.4056  -16.6373   104.672  -81.9152   113.016  377.110    277.565  14.017  7.0698  ?       ?       0.000000       7.069771 
1 1 1 -28 16  10 o 14.822  7.4057  -25.4234   109.919  -30.7625   119.403  4.2364     281.426  14.962  7.5101  ?       ?       0.000000       7.510085 
1 1 1 -28 16  11 o 15.473  7.3368  34.222     73.934   31.311     101.004  37.582     108.517  15.799  7.7460  16.030  7.8931  -0.2316818     11.05899 
1 1 1 -28 16  12 o 17.549  8.1476  86.151     83.233   169.557    122.780  15.232     113.218  19.083  9.1596  15.547  7.7268  3.536673       11.98338 
1 1 1 -28 16  13 o 17.988  8.3460  101.136    87.136   114.665    145.029  93.493     109.004  17.284  8.6150  17.251  8.3658  0.3280449E-01  12.00854 
1 1 1 -28 16  14 o 20.093  8.6940  133.475    77.900   80.637     119.558  172.456    102.690  16.737  8.2494  20.011  9.2043  -3.274418      12.36010 
1 1 1 -28 16  15 o 10.959  5.5322  -114.7802  70.098   -80.4093   117.462  -133.7914  87.359   13.862  7.0141  11.798  5.9782  2.063821       9.216083 
1 1 1 -28 16  16 o 13.490  6.7321  -41.3943   89.678   -308.1353  203.719  22.719     99.876   ?       ?       15.160  7.4850  0.000000       7.484968 
1 1 1 -28 16  17 f 12.122  6.1228  -103.5484  86.526   -470.3360  217.454  -34.5511   94.314   ?       ?       13.715  6.8535  0.000000       6.853550 
1 1 1 -28 16  18 o 13.381  6.6985  -43.3402   91.946   -176.8439  212.796  -12.6940   101.954  ?       ?       14.262  7.1265  0.000000       7.126458 
1 1 1 -28 16  19 o 11.531  5.7999  -86.9723   73.217   -86.7256   115.953  -87.1358   94.422   13.404  6.8018  12.641  6.3864  0.7621174      9.330078 
1 1 1 -28 16  20 o 12.885  6.3647  -24.1580   72.514   -75.6877   119.517  5.8618     91.223   13.566  6.8864  14.240  7.0527  -0.6739120     9.857201 
1 1 1 -28 16  21 o 13.875  6.8039  6.5750     78.035   93.185     129.076  -43.3161   97.966   16.020  8.0070  13.375  6.7248  2.644979       10.45635 
1 1 1 -28 16  22 o 15.368  7.7439  57.790     133.809  57.790     133.809  0.0000     0.0000   15.368  7.7439  ?       ?       0.000000       7.743903 
1 1 1 -28 16  23 o ?       ?       -96.7563   133.445  -96.7563   133.445  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 16  24 o 16.196  7.9183  95.745     103.338  28.047     301.743  104.740    109.989  ?       ?       16.293  8.0076  0.000000       8.007602 
1 1 1 -28 16  25 o 13.972  6.9812  -3.0427    97.718   122.535    224.552  -32.3792   108.534  ?       ?       13.697  6.9107  0.000000       6.910673 
1 1 1 -28 16  26 o 16.146  7.6259  78.350     78.398   160.700    132.362  33.849     97.301   16.939  8.4079  14.743  7.2987  2.195911       11.13391 
1 1 1 -28 16  27 o 20.110  8.8313  166.527    82.957   45.237     134.463  241.063    105.408  15.133  7.6420  20.986  9.5273  -5.853000      12.21352 
1 1 1 -28 16  28 o 17.471  8.6177  181.602    131.303  243.160    163.660  70.404     219.964  17.485  8.7788  ?       ?       0.000000       8.778821 
1 1 1 -28 16  29 o 18.015  8.7972  199.445    126.431  167.501    149.490  279.699    236.947  16.725  8.3963  ?       ?       0.000000       8.396315 
1 1 1 -28 16  30 o 15.550  7.4453  64.120     80.003   144.785    130.512  15.564     101.258  16.647  8.2772  14.373  7.1697  2.273632       10.95068 
1 1 1 -28 16  31 o 13.252  6.5068  -0.7921    72.087   4.1390     122.169  -3.4260    89.288   14.308  7.2316  13.660  6.8011  0.6473942      9.927251 
1 1 1 -28 16  32 o 14.698  6.9990  47.898     68.695   27.534     101.805  64.920     93.079   14.312  7.1471  15.129  7.4213  -0.8171206     10.30323 
1 1 1 -28 16  33 o 16.292  8.0323  144.647    113.619  0.0000     0.0000   144.647    113.619  ?       ?       16.292  8.0323  0.000000       8.032324 
1 1 1 -28 16  34 o 11.074  5.6255  -103.7984  80.876   0.0000     0.0000   -103.7984  80.876   ?       ?       11.074  5.6255  0.000000       5.625511 
1 1 1 -28 17  1  o 19.071  7.9795  97.640     61.882   210.758    96.660   19.076     80.555   22.547  9.7201  14.909  7.2208  7.637936       12.10872 
1 1 1 -28 17  2  o 15.011  7.0715  29.949     66.622   81.406     95.509   -18.8176   92.978   17.046  8.1543  14.291  7.0857  2.754210       10.80274 
1 1 1 -28 17  3  o 14.800  7.0462  22.572     69.555   -7.4032    105.519  45.604     92.495   14.898  7.4133  15.969  7.7351  -1.071449      10.71391 
1 1 1 -28 17  4  o 15.941  7.4484  48.380     71.365   1.9367     107.176  85.377     95.656   15.135  7.5216  17.232  8.2204  -2.097078      11.14225 
1 1 1 -28 17  5  o 17.063  7.8440  72.546     74.449   162.196    111.231  -0.2093    100.204  19.316  9.1108  14.948  7.4014  4.367393       11.73829 
1 1 1 -28 17  6  o 15.607  7.7419  21.627     111.559  15.445     120.447  58.940     295.902  15.603  7.7890  ?       ?       0.000000       7.789006 
1 1 1 -28 17  7  o 12.311  6.2566  -156.1956  100.798  -146.6592  108.832  -213.7288  267.314  12.810  6.5095  ?       ?       0.000000       6.509470 
1 1 1 -28 17  8  o 14.349  7.1941  -39.1196   107.925  -30.1457   117.155  -89.4371   277.413  14.735  7.4019  ?       ?       0.000000       7.401894 
1 1 1 -28 17  9  f 20.469  9.5234  205.572    114.689  206.891    126.128  199.274    275.602  19.764  9.4314  ?       ?       0.000000       9.431373 
1 1 1 -28 17  10 o 17.488  7.9311  83.084     72.809   3.6365     102.123  165.215    103.833  14.952  7.4156  19.619  9.1056  -4.666803      11.74322 
1 1 1 -28 17  11 o 14.786  7.1270  21.063     76.233   -51.3169   113.268  80.997     103.071  14.181  7.1431  16.780  8.1371  -2.599637      10.82760 
1 1 1 -28 17  12 o 12.341  6.1646  -65.6890   75.990   -130.0581  120.154  -22.7799   98.101   ?       ?       14.198  7.0784  0.000000       7.078378 
1 1 1 -28 17  13 o 11.400  5.7415  -100.1705  73.030   21.969     106.422  -208.8824  100.402  15.211  7.5483  ?       ?       0.000000       7.548264 
1 1 1 -28 17  14 o 12.904  6.3918  -35.5178   75.011   -115.9798  113.820  26.260     99.733   13.126  6.6688  15.134  7.4735  -2.008027      10.01626 
1 1 1 -28 17  15 o ?       ?       -170.1035  81.369   -105.3593  193.402  -184.0285  89.693   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 17  16 o 15.019  7.3875  32.052     94.246   -307.8611  211.008  116.762    105.337  ?       ?       17.181  8.3050  0.000000       8.305037 
1 1 1 -28 17  17 f 12.163  6.1553  -104.1565  90.655   -77.1152   222.756  -109.5242  99.246   ?       ?       12.467  6.3231  0.000000       6.323100 
1 1 1 -28 17  18 o 16.295  7.6865  77.772     79.192   0.8845     122.418  133.102    103.849  14.582  7.3551  17.437  8.3834  -2.854752      11.15249 
1 1 1 -28 17  19 o 13.893  6.7894  11.182     75.724   34.849     122.842  -3.3226    96.170   15.009  7.5444  14.016  6.9909  0.9929533      10.28545 
1 1 1 -28 17  20 o 14.417  7.0266  28.209     79.571   -34.1771   122.977  73.137     104.360  13.969  7.0801  15.646  7.7108  -1.676298      10.46822 
1 1 1 -28 17  21 o 15.817  7.9158  96.004     127.983  96.004     127.983  0.0000     0.0000   15.817  7.9158  ?       ?       0.000000       7.915809 
1 1 1 -28 17  22 f 14.292  7.2397  -6.6049    127.410  -6.6049    127.410  0.0000     0.0000   14.292  7.2397  ?       ?       0.000000       7.239721 
1 1 1 -28 17  23 o 16.574  8.2385  145.624    128.882  145.624    128.882  0.0000     0.0000   16.574  8.2385  ?       ?       0.000000       8.238507 
1 1 1 -28 17  24 o 14.013  7.0041  3.0787     98.752   -190.0140  221.607  50.923     110.310  ?       ?       15.023  7.4924  0.000000       7.492416 
1 1 1 -28 17  25 o 17.371  8.0538  112.907    80.922   139.633    132.065  96.840     102.397  16.417  8.1892  16.105  7.8756  0.3123493      11.36166 
1 1 1 -28 17  26 o 16.824  7.7941  94.266     75.573   41.830     124.577  124.799    95.064   14.940  7.5211  17.169  8.1916  -2.228918      11.12071 
1 1 1 -28 17  27 o 17.436  8.6356  198.707    136.729  239.455    165.358  110.625    243.117  17.204  8.6614  ?       ?       0.000000       8.661431 
1 1 1 -28 17  28 o 15.825  7.9303  100.163    130.466  79.974     158.238  143.023    230.557  15.410  7.8324  ?       ?       0.000000       7.832383 
1 1 1 -28 17  29 o 17.905  8.2064  125.684    80.650   45.290     126.149  181.260    104.885  14.916  7.5166  18.391  8.7259  -3.475187      11.51697 
1 1 1 -28 17  30 o 10.156  5.1399  -109.0240  63.323   -335.6783  122.750  -26.8352   73.917   ?       ?       12.548  6.2376  0.000000       6.237588 
1 1 1 -28 17  31 o 20.117  8.8165  181.279    82.307   160.751    128.891  195.415    106.955  16.336  8.1391  18.148  8.6671  -1.812807      11.88968 
1 1 1 -28 17  32 o 11.929  6.0509  -82.3997   91.047   0.0000     0.0000   -82.3997   91.047   ?       ?       11.929  6.0509  0.000000       6.050910 
1 1 1 -28 17  33 o 16.467  8.1193  186.696    116.174  0.0000     0.0000   186.696    116.174  ?       ?       16.467  8.1193  0.000000       8.119328 
1 1 1 -28 18  1  o 14.375  6.6651  27.465     55.426   -43.7246   89.848   71.199     70.422   13.428  6.7072  16.699  7.6590  -3.270186      10.18072 
1 1 1 -28 18  2  f 19.463  8.3382  117.327    70.305   -26.9925   97.602   272.965    101.357  14.055  7.0156  24.922  10.301  -10.86663      12.46337 
1 1 1 -28 18  3  o 14.992  7.0545  34.231     65.965   8.1611     93.481   60.088     93.097   14.729  7.2663  16.117  7.7950  -1.388256      10.65654 
1 1 1 -28 18  4  o 15.638  7.5906  43.841     90.273   95.322     97.056   -286.3431  245.798  17.185  8.2208  ?       ?       0.000000       8.220812 
1 1 1 -28 18  5  o 18.998  9.0514  173.525    115.213  184.538    128.838  129.564    257.421  18.681  9.0675  ?       ?       0.000000       9.067492 
1 1 1 -28 18  6  o 17.864  8.6856  139.408    119.558  80.765     130.935  433.547    293.238  16.466  8.2040  ?       ?       0.000000       8.204009 
1 1 1 -28 18  7  o 19.753  9.4147  218.942    124.890  217.579    135.709  226.480    319.187  19.122  9.2872  ?       ?       0.000000       9.287165 
1 1 1 -28 18  8  o 16.823  7.7364  74.536     72.507   44.428     102.392  104.820    102.689  15.666  7.7046  17.278  8.3143  -1.611981      11.33526 
1 1 1 -28 18  9  f 20.190  8.7737  145.478    80.022   141.923    118.137  148.492    108.778  17.825  8.6593  18.352  8.7579  -0.5269814     12.31596 
1 1 1 -28 18  10 o 16.476  7.7070  71.099     76.748   55.603     114.590  83.705     103.354  15.845  7.8578  16.545  8.0518  -0.7002420     11.25064 
1 1 1 -28 18  11 o 18.528  8.4845  126.724    85.946   35.687     140.865  180.710    108.477  15.534  7.8418  19.236  9.0502  -3.702274      11.97498 
1 1 1 -28 18  12 o 10.604  5.3697  -125.4083  69.711   -174.9553  101.868  -81.7682   95.603   ?       ?       12.822  6.4716  0.000000       6.471551 
1 1 1 -28 18  13 o 14.354  7.1509  0.0360     99.372   -156.3546  215.777  42.133     111.951  ?       ?       15.336  7.6321  0.000000       7.632129 
1 1 1 -28 18  14 o 14.151  7.0296  -0.0519    93.222   -121.3049  205.701  31.288     104.577  ?       ?       14.985  7.4438  0.000000       7.443839 
1 1 1 -28 18  15 o 12.958  6.5179  -56.7522   92.558   8.9750     220.308  -70.8403   101.996  ?       ?       13.061  6.6019  0.000000       6.601894 
1 1 1 -28 18  16 o 13.173  6.5058  -14.1145   75.669   9.6280     118.184  -30.6090   98.507   14.568  7.3328  13.546  6.8023  1.022416       10.00212 
1 1 1 -28 18  17 o 19.779  8.6394  152.372    78.452   265.979    119.532  66.400     103.983  20.271  9.5253  15.477  7.6404  4.794397       12.21099 
1 1 1 -28 18  18 o 13.364  6.5715  -1.4886    74.375   71.619     120.971  -45.9180   94.305   15.422  7.7148  13.045  6.5640  2.377101       10.12935 
1 1 1 -28 18  19 o 14.156  6.9291  23.722     79.831   56.133     123.611  0.5302     104.561  15.089  7.5828  14.040  7.0445  1.049806       10.35005 
1 1 1 -28 18  20 o 19.541  9.3501  273.866    125.740  259.497    138.818  339.525    296.744  18.295  8.9923  ?       ?       0.000000       8.992343 
1 1 1 -28 18  21 o 15.587  7.8119  94.170     126.701  94.170     126.701  0.0000     0.0000   15.587  7.8119  ?       ?       0.000000       7.811854 
1 1 1 -28 18  22 o 15.456  7.7974  92.729     137.884  92.729     137.884  0.0000     0.0000   15.456  7.7974  ?       ?       0.000000       7.797421 
1 1 1 -28 18  23 o 12.775  6.3517  -23.3206   76.792   -18.1518   128.414  -26.1979   95.811   14.018  7.1178  13.311  6.6875  0.7063837      9.766560 
1 1 1 -28 18  24 o 22.118  9.3117  213.208    85.102   289.032    134.070  162.043    110.133  19.185  9.2975  17.396  8.4298  1.788418       12.55010 
1 1 1 -28 18  25 o ?       ?       -210.0574  103.165  -147.0680  119.906  -389.5833  202.428  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 18  26 o 21.739  10.234  395.525    139.077  331.536    164.151  558.314    261.823  18.326  9.1396  ?       ?       0.000000       9.139588 
1 1 1 -28 18  27 o 14.922  7.5170  49.627     125.535  43.970     156.609  59.795     209.965  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 18  28 o 16.043  7.5935  84.314     78.518   42.802     123.726  112.305    101.597  14.729  7.4248  16.287  7.9384  -1.557883      10.86950 
1 1 1 -28 18  29 o 14.797  7.1870  53.862     81.274   12.535     132.570  78.748     102.874  14.239  7.2302  15.282  7.5547  -1.043790      10.45700 
1 1 1 -28 18  30 o 16.645  7.7882  108.815    78.464   -43.4788   129.429  197.309    98.662   ?       ?       18.646  8.7271  0.000000       8.727134 
1 1 1 -28 18  31 o 15.464  7.6725  117.627    109.784  0.0000     0.0000   117.627    109.784  ?       ?       15.464  7.6725  0.000000       7.672521 
1 1 1 -28 18  32 o 15.612  7.8090  167.832    123.772  0.0000     0.0000   167.832    123.772  ?       ?       15.612  7.8090  0.000000       7.809028 
1 1 1 -28 19  1  o 11.610  5.6962  -33.1672   54.920   54.457     85.588   -94.5009   71.607   15.599  7.5270  11.288  5.6850  4.311777       9.432618 
1 1 1 -28 19  2  o 12.580  6.3141  -66.3359   84.326   -87.6994   90.112   84.171     239.180  12.471  6.2927  ?       ?       0.000000       6.292675 
1 1 1 -28 19  3  o 12.154  6.1211  -86.1448   83.014   0.9382     89.516   -621.0793  221.863  14.219  7.0324  ?       ?       0.000000       7.032375 
1 1 1 -28 19  4  o 15.703  7.6828  56.435     97.776   23.732     107.230  217.735    238.144  15.021  7.4744  ?       ?       0.000000       7.474434 
1 1 1 -28 19  5  o 16.424  7.9851  84.509     101.017  51.251     109.725  269.453    258.748  15.591  7.7241  ?       ?       0.000000       7.724140 
1 1 1 -28 19  6  o 14.553  7.0095  25.815     73.422   116.730    110.809  -45.3394   98.030   17.075  8.3158  13.510  6.7844  3.565531       10.73222 
1 1 1 -28 19  7  o 11.521  5.7570  -67.2412   66.557   -128.2875  95.425   -9.4099    92.879   12.094  6.1404  14.037  6.9803  -1.943928      9.296688 
1 1 1 -28 19  8  o 13.221  6.4901  -12.5186   71.584   28.703     104.930  -48.4061   97.906   15.016  7.4588  13.407  6.7389  1.608371       10.05224 
1 1 1 -28 19  9  o 13.884  6.7865  5.9570     75.769   67.090     113.273  -43.5434   101.928  15.775  7.8213  13.579  6.8315  2.196613       10.38471 
1 1 1 -28 19  10 o 17.760  8.2496  117.211    85.492   83.977     140.615  136.700    107.679  15.886  7.9964  17.474  8.4341  -1.587901      11.62227 
1 1 1 -28 19  11 o 10.759  5.4375  -108.5200  69.024   -38.0353   99.853   -173.0204  95.520   13.522  6.7975  ?       ?       0.000000       6.797472 
1 1 1 -28 19  12 o 19.198  9.0772  207.013    111.639  344.076    232.402  165.896    127.287  ?       ?       17.322  8.5326  0.000000       8.532629 
1 1 1 -28 19  13 o 13.168  6.6277  -46.8199   96.521   37.594     200.898  -72.1525   110.055  ?       ?       13.188  6.6856  0.000000       6.685586 
1 1 1 -28 19  14 o 15.175  7.5276  55.084     105.478  -137.4289  227.131  108.016    119.099  ?       ?       16.136  8.0034  0.000000       8.003413 
1 1 1 -28 19  15 o 15.249  7.3382  58.170     80.020   65.113     114.474  51.535     111.901  15.280  7.6222  15.032  7.5049  0.2472248      10.69676 
1 1 1 -28 19  16 f 13.486  6.6451  2.6559     77.384   -72.2295   112.367  70.209     106.724  13.097  6.6509  15.339  7.6027  -2.242643      10.10130 
1 1 1 -28 19  17 o 10.387  5.2611  -112.8869  67.156   -126.0910  114.505  -105.9638  82.913   ?       ?       11.475  5.8158  0.000000       5.815758 
1 1 1 -28 19  18 o 18.602  8.4414  147.967    82.630   -40.0984   126.878  286.482    108.888  ?       ?       21.726  9.7902  0.000000       9.790162 
1 1 1 -28 19  19 o 12.810  6.3345  -12.9877   72.511   -67.5479   114.251  23.812     93.830   13.091  6.6537  14.174  7.0429  -1.083178      9.688864 
1 1 1 -28 19  20 o 19.338  9.3924  322.631    138.800  322.631    138.800  0.0000     0.0000   19.338  9.3924  ?       ?       0.000000       9.392425 
1 1 1 -28 19  21 o 16.663  8.2942  176.269    132.542  176.269    132.542  0.0000     0.0000   16.663  8.2942  ?       ?       0.000000       8.294199 
1 1 1 -28 19  22 o 13.383  6.5986  4.4370     76.727   6.2475     131.796  3.5089     94.367   14.223  7.2211  13.736  6.8627  0.4870005      9.961976 
1 1 1 -28 19  23 o 12.253  6.0946  -32.1339   71.003   69.998     122.776  -83.4549   87.032   15.080  7.5752  11.974  6.0566  3.105504       9.698789 
1 1 1 -28 19  24 o ?       ?       -360.5113  104.392  -328.5396  123.462  -440.6983  195.525  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 19  25 o 13.216  6.7076  -57.2441   113.124  -51.3915   131.640  -73.7699   221.206  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 19  26 o 14.504  7.3291  30.930     124.832  20.668     156.252  49.036     207.555  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 19  27 o 12.131  6.0562  -38.5008   72.880   -53.9063   118.938  -29.2391   92.221   13.266  6.7473  13.008  6.5386  0.2579794      9.395661 
1 1 1 -28 19  28 o 18.016  8.2908  146.964    83.456   217.711    129.751  97.043     108.993  17.197  8.4980  15.405  7.6435  1.792240       11.42975 
1 1 1 -28 19  29 o 17.907  8.1574  140.603    78.119   35.096     134.151  194.738    96.092   14.146  7.1917  18.499  8.6436  -4.353406      11.24425 
1 1 1 -28 19  30 o 14.942  7.4473  100.031    108.261  0.0000     0.0000   100.031    108.261  ?       ?       14.942  7.4473  0.000000       7.447296 
1 1 1 -28 19  31 o 13.078  6.6022  9.2276     99.914   0.0000     0.0000   9.2276     99.914   ?       ?       13.078  6.6022  0.000000       6.602239 
1 1 1 -28 20  1  o 16.266  7.9125  92.636     99.541   89.982     108.280  107.112    252.919  16.065  7.9052  ?       ?       0.000000       7.905242 
1 1 1 -28 20  2  o 13.703  6.8315  -13.2109   91.366   -9.7665    99.391   -31.9935   232.096  13.961  6.9851  ?       ?       0.000000       6.985140 
1 1 1 -28 20  3  o 15.383  7.5083  56.466     91.782   59.443     99.260   38.915     241.027  15.445  7.5938  ?       ?       0.000000       7.593814 
1 1 1 -28 20  4  o 19.677  9.2001  214.486    109.164  169.257    120.726  417.272    255.627  17.641  8.6106  ?       ?       0.000000       8.610606 
1 1 1 -28 20  5  o 14.856  7.0571  42.119     69.018   -20.3279   97.951   103.695    97.266   13.731  6.8794  16.655  8.0333  -2.924574      10.57635 
1 1 1 -28 20  6  o 14.025  6.7928  19.218     71.304   -83.9265   107.844  99.328     95.042   13.003  6.5943  16.554  7.9740  -3.551593      10.34744 
1 1 1 -28 20  7  o 15.656  7.3851  62.968     73.100   124.968    107.698  10.004     99.541   16.894  8.2210  14.303  7.1304  2.591480       10.88245 
1 1 1 -28 20  8  o 13.577  6.6477  4.6693     73.631   61.597     111.633  -39.1678   97.961   15.360  7.6403  13.330  6.7050  2.030354       10.16520 
1 1 1 -28 20  9  o 15.268  7.3019  55.920     76.477   115.009    113.166  6.2501     103.756  16.405  8.0743  14.221  7.1183  2.184669       10.76402 
1 1 1 -28 20  10 o 18.249  8.6931  176.318    106.182  399.742    213.798  103.164    122.337  ?       ?       15.946  7.9426  0.000000       7.942582 
1 1 1 -28 20  11 o 16.188  7.9335  105.056    105.598  245.479    224.382  65.108     119.679  ?       ?       15.232  7.6277  0.000000       7.627717 
1 1 1 -28 20  12 o 18.520  8.8553  204.600    112.365  113.471    235.747  231.388    127.818  ?       ?       18.255  8.8992  0.000000       8.899179 
1 1 1 -28 20  13 o 12.769  6.4527  -59.9929   96.956   -167.2028  201.293  -27.6066   110.635  ?       ?       13.599  6.8740  0.000000       6.873971 
1 1 1 -28 20  14 o 14.308  6.9709  34.845     78.104   61.078     110.654  8.7985     110.259  14.995  7.4824  14.093  7.0923  0.9018984      10.30955 
1 1 1 -28 20  15 o 13.210  6.5305  -1.9432    76.895   -36.9001   109.702  31.821     107.815  13.355  6.7599  14.402  7.2160  -1.047051      9.887685 
1 1 1 -28 20  16 o 16.517  7.8098  104.446    82.645   138.464    117.978  71.668     115.807  16.276  8.0539  15.052  7.5322  1.224524       11.02721 
1 1 1 -28 20  17 o 13.618  6.6968  15.327     77.307   4.7667     107.453  26.658     111.305  13.871  6.9832  14.260  7.1696  -0.3887634     10.00845 
1 1 1 -28 20  18 o 15.719  7.7009  97.565     99.230   39.417     235.461  110.122    109.422  ?       ?       15.802  7.8076  0.000000       7.807623 
1 1 1 -28 20  19 o 14.548  7.3182  46.242     116.724  46.242     116.724  0.0000     0.0000   14.548  7.3182  ?       ?       0.000000       7.318217 
1 1 1 -28 20  20 o ?       ?       -67.5348   128.621  -67.5348   128.621  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 20  21 o ?       ?       -17.6578   132.017  -17.6578   132.017  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 20  22 o 20.475  8.9109  188.485    82.798   286.526    142.748  138.777    101.643  18.086  8.9331  16.771  8.1197  1.315208       12.07183 
1 1 1 -28 20  23 o 14.625  7.3816  46.013     124.409  6.1934     149.042  137.508    225.920  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 20  24 o 16.202  8.0517  143.243    122.841  145.396    143.211  137.247    238.972  15.831  7.9816  ?       ?       0.000000       7.981631 
1 1 1 -28 20  25 o ?       ?       -61.6540   116.748  -36.5534   143.570  -110.6531  200.594  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 20  26 f 17.259  8.0124  125.735    80.468   175.238    141.419  102.034    97.853   16.057  8.0744  15.705  7.6842  0.3519650      11.14643 
1 1 1 -28 20  27 o 16.504  7.8535  120.652    86.164   451.892    137.971  -91.1363   110.323  21.929  10.282  ?       ?       0.000000       10.28158 
1 1 1 -28 20  28 o 16.073  7.5961  105.059    78.016   50.743     127.503  137.564    98.634   14.134  7.1681  16.167  7.8672  -2.033006      10.64307 
1 1 1 -28 20  29 o 14.139  7.0832  65.112     103.723  -68.8269   251.796  92.485     113.829  ?       ?       14.515  7.2919  0.000000       7.291912 
1 1 1 -28 20  30 o 11.890  6.0413  -54.1703   93.575   0.0000     0.0000   -54.1703   93.575   ?       ?       11.890  6.0413  0.000000       6.041293 
1 1 1 -28 21  1  o 13.624  6.8210  -9.7830    95.443   -59.0753   102.922  292.892    255.040  12.999  6.5761  ?       ?       0.000000       6.576058 
1 1 1 -28 21  2  f 16.413  8.0074  115.186    104.070  30.997     114.402  519.113    250.586  14.601  7.3320  ?       ?       0.000000       7.331992 
1 1 1 -28 21  3  o 17.589  7.9449  108.701    72.211   139.450    102.631  78.555     101.618  17.137  8.2623  15.554  7.6545  1.582937       11.26309 
1 1 1 -28 21  4  o 12.649  6.2339  -15.6102   68.237   121.742    101.151  -130.3231  92.440   16.674  8.0796  ?       ?       0.000000       8.079591 
1 1 1 -28 21  5  o 13.265  6.4991  2.6079     70.723   35.994     104.033  -26.0796   96.434   14.615  7.2866  13.346  6.7056  1.268638       9.902498 
1 1 1 -28 21  6  o 15.182  7.2456  58.548     74.477   89.162     108.093  30.881     102.761  15.668  7.7452  14.485  7.2252  1.183000       10.59206 
1 1 1 -28 21  7  o 11.341  5.6853  -64.3544   67.292   -136.1182  96.797   2.7651     93.612   ?       ?       13.787  6.8798  0.000000       6.879843 
1 1 1 -28 21  8  o 15.070  7.2092  57.234     74.670   150.862    109.647  -23.7411   101.970  17.007  8.2801  13.448  6.7746  3.558424       10.69835 
1 1 1 -28 21  9  o 15.514  7.5658  79.025     92.620   -260.5616  202.424  168.944    104.163  ?       ?       17.729  8.4901  0.000000       8.490127 
1 1 1 -28 21  10 o 14.222  7.0962  25.742     99.463   -247.3981  216.485  98.826     111.982  ?       ?       15.643  7.7593  0.000000       7.759321 
1 1 1 -28 21  11 o 13.070  6.5901  -34.9574   97.789   29.128     215.737  -51.5294   109.707  ?       ?       13.115  6.6512  0.000000       6.651241 
1 1 1 -28 21  12 o 15.213  7.3344  68.287     80.836   13.450     120.751  112.820    108.816  14.116  7.1395  15.884  7.8367  -1.767482      10.60122 
1 1 1 -28 21  13 f 11.037  5.5782  -90.3457   72.694   -24.9231   104.997  -150.5775  100.745  13.313  6.7265  ?       ?       0.000000       6.726543 
1 1 1 -28 21  14 o 12.620  6.2856  -20.4757   76.591   -25.7472   109.230  -15.3770   107.425  13.350  6.7560  13.467  6.8043  -0.1169138     9.588696 
1 1 1 -28 21  15 o 14.158  6.9400  37.402     80.922   -58.5660   115.735  129.194    113.189  ?       ?       15.978  7.9034  0.000000       7.903438 
1 1 1 -28 21  16 o 13.872  6.8255  27.853     80.671   106.829    113.923  -51.5772   114.249  15.480  7.7028  13.062  6.6405  2.417559       10.17008 
1 1 1 -28 21  17 o 18.401  8.8556  238.720    116.557  344.168    263.644  213.103    129.946  ?       ?       17.015  8.4253  0.000000       8.425287 
1 1 1 -28 21  18 o ?       ?       -99.8790   102.737  -41.5762   109.425  -533.5242  298.428  13.074  6.6318  ?       ?       0.000000       6.631835 
1 1 1 -28 21  19 o 15.738  7.9224  150.296    138.174  150.296    138.174  0.0000     0.0000   15.738  7.9224  ?       ?       0.000000       7.922357 
1 1 1 -28 21  20 o ?       ?       -86.2361   119.786  -86.2361   119.786  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 21  21 o 10.813  5.4555  -83.9013   67.603   3.7942     131.086  -115.6756  78.905   13.969  7.1029  10.948  5.5614  3.020988       9.021060 
1 1 1 -28 21  22 o ?       ?       -35.4839   123.145  99.044     147.514  -344.7799  223.673  15.060  7.6456  ?       ?       0.000000       7.645570 
1 1 1 -28 21  23 o 14.110  7.1228  24.727     116.160  -9.4411    135.171  121.216    227.150  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 21  24 o 18.421  8.9684  278.880    128.630  184.659    149.676  545.035    251.562  15.906  8.0360  ?       ?       0.000000       8.036043 
1 1 1 -28 21  25 o 15.264  7.2326  73.960     71.594   -16.1172   136.861  107.896    84.004   ?       ?       16.105  7.6886  0.000000       7.688627 
1 1 1 -28 21  26 o 16.476  7.6015  104.372    70.800   -59.3389   136.268  164.906    82.862   ?       ?       18.309  8.3640  0.000000       8.364045 
1 1 1 -28 21  27 o 10.543  5.3227  -76.0766   64.930   -533.9404  334.041  -58.0983   66.192   ?       ?       10.979  5.5211  0.000000       5.521056 
1 1 1 -28 21  28 o 13.020  6.5204  17.453     87.527   200.053    349.487  5.2330     90.409   ?       ?       12.826  6.4503  0.000000       6.450338 
1 1 1 -28 21  29 o 11.320  5.7449  -62.0232   82.770   76.928     277.492  -75.5931   86.718   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 22  1  o 10.753  5.3505  -49.6698   54.958   -5.3167    92.226   -74.0927   68.437   13.423  6.7180  11.107  5.5892  2.316365       8.738989 
1 1 1 -28 22  2  o 18.033  7.8631  111.640    64.732   60.551     104.222  143.725    82.594   14.830  7.3778  18.111  8.3023  -3.280731      11.10679 
1 1 1 -28 22  3  o 12.419  6.1697  -23.5492   71.882   63.039     103.988  -102.7874  99.476   14.878  7.3963  ?       ?       0.000000       7.396296 
1 1 1 -28 22  4  o 15.838  7.4703  82.039     74.769   91.359     109.930  74.016     101.993  15.391  7.6432  15.114  7.4806  0.2765417      10.69472 
1 1 1 -28 22  5  o 17.281  7.9538  117.366    76.855   220.246    112.298  26.723     105.408  18.447  8.8291  14.171  7.1052  4.276024       11.33303 
1 1 1 -28 22  6  o 13.230  6.4950  7.9784     71.730   13.354     105.370  3.3359     97.920   13.923  6.9972  13.651  6.8451  0.2719755      9.788621 
1 1 1 -28 22  7  o 15.597  7.6141  92.269     94.482   -254.8845  242.142  154.615    102.615  ?       ?       17.055  8.2322  0.000000       8.232213 
1 1 1 -28 22  8  o 16.685  8.0520  136.093    98.039   85.528     208.167  150.505    111.137  ?       ?       16.530  8.1086  0.000000       8.108640 
1 1 1 -28 22  9  o 13.810  6.9154  15.851     98.369   19.993     213.613  14.736     110.818  ?       ?       13.917  7.0169  0.000000       7.016874 
1 1 1 -28 22  10 o 17.822  8.5843  202.544    110.142  390.957    220.482  139.890    127.144  ?       ?       15.771  7.8921  0.000000       7.892131 
1 1 1 -28 22  11 o 16.506  7.7732  110.196    80.378   206.268    115.257  19.232     112.151  17.529  8.5241  13.925  7.0257  3.604269       11.04631 
1 1 1 -28 22  12 o 12.650  6.2840  -11.9018   74.537   -20.2767   112.662  -5.3825    99.401   13.351  6.7678  13.362  6.7257  -0.1096630E-01 9.541402 
1 1 1 -28 22  13 o 12.543  6.2334  -14.2368   73.591   -33.3153   110.507  0.9664     98.647   13.122  6.6571  13.436  6.7548  -0.3138275     9.483840 
1 1 1 -28 22  14 o 18.999  8.6075  178.699    85.496   145.303    120.932  212.070    120.888  15.857  7.8980  17.217  8.4478  -1.359363      11.56482 
1 1 1 -28 22  15 o 15.004  7.4169  82.427     99.129   156.206    229.331  65.475     109.929  ?       ?       14.574  7.2998  0.000000       7.299814 
1 1 1 -28 22  16 o 12.536  6.3263  -40.5489   91.167   -475.6220  219.689  49.963     100.203  ?       ?       14.307  7.1360  0.000000       7.135989 
1 1 1 -28 22  17 o 13.074  6.4517  7.4315     73.881   25.928     119.134  -4.1274    94.178   13.971  7.0686  13.236  6.6471  0.7350407      9.703091 
1 1 1 -28 22  18 o 14.824  7.4640  85.718     123.005  85.718     123.005  0.0000     0.0000   14.824  7.4640  ?       ?       0.000000       7.464049 
1 1 1 -28 22  19 o 13.759  6.9526  12.005     112.337  12.005     112.337  0.0000     0.0000   13.759  6.9526  ?       ?       0.000000       6.952601 
1 1 1 -28 22  20 o 13.267  6.5601  9.7487     77.744   -15.5700   133.056  22.873     95.797   ?       ?       13.818  6.9054  0.000000       6.905404 
1 1 1 -28 22  21 o ?       ?       -222.6352  121.833  -256.6136  135.769  -82.1484   276.069  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 22  22 o 14.606  7.3768  72.152     125.423  43.393     150.089  138.723    228.353  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 22  23 o 14.225  6.7961  47.775     65.889   -128.5941  132.480  105.739    75.949   ?       ?       16.323  7.6452  0.000000       7.645192 
1 1 1 -28 22  24 o ?       ?       -142.6855  59.613   -70.3052   118.570  -167.1701  68.962   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 22  25 o 12.175  6.0533  -12.4416   69.735   91.844     126.796  -57.6641   83.497   14.431  7.3008  11.758  5.9457  2.673902       9.415543 
1 1 1 -28 22  26 f 12.205  6.1528  -25.3760   84.951   271.943    337.494  -45.4879   87.777   ?       ?       11.951  6.0490  0.000000       6.048965 
1 1 1 -28 22  27 o 14.934  7.3176  112.306    89.728   -162.6808  350.267  131.618    92.825   ?       ?       15.323  7.4945  0.000000       7.494483 
1 1 1 -28 23  1  o 12.242  6.0113  -8.4232    61.579   90.155     107.485  -56.5879   75.131   15.101  7.5093  11.683  5.8761  3.418441       9.535121 
1 1 1 -28 23  2  o 18.800  8.1582  136.844    68.998   102.758    112.768  157.240    87.232   15.268  7.6080  17.883  8.3152  -2.614805      11.27052 
1 1 1 -28 23  3  o 19.153  8.5449  169.242    80.707   247.487    119.139  102.886    109.715  18.226  8.8156  15.313  7.6101  2.912575       11.64594 
1 1 1 -28 23  4  o 15.181  7.2679  73.773     76.197   3.0167     116.177  127.186    100.940  13.666  6.9215  16.074  7.8517  -2.407666      10.46689 
1 1 1 -28 23  5  o 14.599  7.2794  64.921     103.909  246.895    253.339  28.115     113.934  ?       ?       13.983  7.0582  0.000000       7.058190 
1 1 1 -28 23  6  o 13.628  6.7994  18.996     91.243   -246.5778  252.704  58.809     97.844   ?       ?       14.483  7.1956  0.000000       7.195566 
1 1 1 -28 23  7  o 12.810  6.4743  -32.9120   97.913   50.819     239.283  -49.7515   107.309  ?       ?       12.784  6.4928  0.000000       6.492791 
1 1 1 -28 23  8  o 13.622  6.8317  17.073     97.718   141.362    201.139  -21.3259   111.799  ?       ?       13.219  6.7050  0.000000       6.704957 
1 1 1 -28 23  9  o 15.406  7.3088  80.681     73.551   79.271     107.841  81.908     100.572  14.750  7.3644  14.884  7.3776  -0.1338377     10.42418 
1 1 1 -28 23  10 o 12.908  6.3730  5.1590     72.434   40.732     111.084  -21.1547   95.539   14.060  7.0812  12.895  6.5033  1.165441       9.614407 
1 1 1 -28 23  11 f 20.289  8.8366  196.730    81.544   322.256    115.131  70.371     115.512  20.670  9.5914  14.496  7.2904  6.173390       12.04763 
1 1 1 -28 23  12 o 15.142  7.3037  80.658     80.401   74.607     115.393  86.368     112.089  14.542  7.3101  14.766  7.3925  -0.2240372     10.39649 
1 1 1 -28 23  13 o 15.644  7.4872  95.979     80.738   119.778    114.814  72.697     113.558  15.310  7.6368  14.511  7.2891  0.7989569      10.55706 
1 1 1 -28 23  14 o 18.459  8.4359  171.247    84.399   119.338    122.379  218.329    116.550  15.156  7.6068  17.318  8.4548  -2.162650      11.37305 
1 1 1 -28 23  15 o 13.459  6.7808  9.8763     102.333  -184.8513  228.572  58.693     114.443  ?       ?       14.278  7.1907  0.000000       7.190657 
1 1 1 -28 23  16 f 16.891  7.8715  125.063    78.867   224.321    127.617  63.731     100.316  16.852  8.3457  14.430  7.1880  2.422554       11.01444 
1 1 1 -28 23  17 f ?       ?       -48.0581   117.607  -48.0581   117.607  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 23  18 o 13.817  7.0041  20.740     120.750  20.740     120.750  0.0000     0.0000   13.817  7.0041  ?       ?       0.000000       7.004136 
1 1 1 -28 23  19 o ?       ?       -51.7875   117.895  -51.7875   117.895  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 23  20 o 13.684  6.9218  16.579     113.748  68.068     123.607  -268.1120  290.653  14.411  7.2831  ?       ?       0.000000       7.283126 
1 1 1 -28 23  21 o ?       ?       -87.6485   107.159  -138.7951  129.020  26.102     192.409  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 23  22 o 12.941  6.3365  15.954     66.900   -19.7271   132.812  28.085     77.443   ?       ?       13.443  6.6286  0.000000       6.628613 
1 1 1 -28 23  23 o 14.450  7.0237  67.599     78.027   158.358    139.305  26.109     94.187   15.044  7.6150  13.415  6.7247  1.629087       10.15923 
1 1 1 -28 23  24 o 11.408  5.6764  -24.6327   61.841   -156.9646  131.425  13.000     70.085   ?       ?       12.682  6.2630  0.000000       6.262989 
1 1 1 -28 23  25 o 13.996  6.9070  70.217     84.708   -244.3028  337.853  91.315     87.503   ?       ?       14.475  7.1197  0.000000       7.119709 
1 1 1 -28 23  26 o 14.608  7.1985  113.333    90.891   -31.2312   344.221  124.168    94.235   ?       ?       14.749  7.2799  0.000000       7.279932 
1 1 1 -28 24  1  o 16.553  7.6091  105.609    70.042   237.664    120.355  37.981     86.129   17.461  8.5386  13.840  6.8542  3.621198       10.94935 
1 1 1 -28 24  2  o 12.444  6.1057  1.1083     63.104   -6.7724    114.877  4.5140     75.519   13.320  6.7604  12.885  6.3881  0.4344091      9.301132 
1 1 1 -28 24  3  o 15.455  7.5373  104.356    91.937   -8.5648    218.618  128.617    101.333  ?       ?       15.782  7.7420  0.000000       7.741973 
1 1 1 -28 24  4  o 13.740  6.8850  31.478     98.298   -177.9701  248.378  70.375     107.037  ?       ?       14.437  7.2272  0.000000       7.227203 
1 1 1 -28 24  5  o 16.084  7.9161  154.294    108.761  373.506    247.921  102.052    121.028  ?       ?       14.811  7.4503  0.000000       7.450344 
1 1 1 -28 24  6  o 12.747  6.4526  -29.5463   100.081  2.2190     255.048  -35.3277   108.808  ?       ?       12.834  6.5202  0.000000       6.520231 
1 1 1 -28 24  7  o 10.868  5.4850  -73.5781   68.689   -99.4550   111.189  -57.6076   87.351   ?       ?       11.970  6.0561  0.000000       6.056143 
1 1 1 -28 24  8  o 10.301  5.2331  -110.2924  69.975   -133.8118  100.890  -88.4902   97.137   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 24  9  o 16.991  7.9626  138.980    82.574   193.304    119.119  88.729     114.567  16.399  8.1107  14.605  7.3342  1.794028       10.93498 
1 1 1 -28 24  10 o 17.972  8.2026  154.813    79.457   -72.6704   111.956  385.693    112.788  ?       ?       23.273  10.257  0.000000       10.25651 
1 1 1 -28 24  11 o 10.307  5.2355  -108.9398  69.964   14.499     99.767   -228.3858  98.140   13.371  6.7309  ?       ?       0.000000       6.730900 
1 1 1 -28 24  12 o 13.884  6.8151  44.465     78.886   -28.6869   114.204  111.217    109.094  ?       ?       15.060  7.5009  0.000000       7.500919 
1 1 1 -28 24  13 o 16.815  7.9300  138.453    84.206   269.490    119.494  9.1932     118.681  18.092  8.7703  13.455  6.8333  4.636354       11.11811 
1 1 1 -28 24  14 o 14.724  7.1677  74.428     82.076   118.749    122.926  38.777     110.250  14.947  7.5177  13.820  6.9718  1.127510       10.25284 
1 1 1 -28 24  15 o 13.098  6.4620  16.454     73.969   132.314    120.380  -53.8235   93.756   15.234  7.6319  12.206  6.1861  3.027991       9.824161 
1 1 1 -28 24  16 o 13.450  6.8104  9.2697     112.002  24.027     120.184  -88.1759   308.829  13.698  6.9485  ?       ?       0.000000       6.948455 
1 1 1 -28 24  17 o 18.078  8.9036  329.761    138.416  329.761    138.416  0.0000     0.0000   18.078  8.9036  ?       ?       0.000000       8.903606 
1 1 1 -28 24  18 o ?       ?       -121.5636  125.468  -121.5636  125.468  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 24  19 o ?       ?       -32.0862   121.094  -52.5683   131.161  86.190     315.185  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 24  20 o 13.538  6.8846  22.085     123.565  57.219     133.278  -192.9461  329.718  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 24  21 o 12.228  5.9337  8.9802     55.057   -146.1013  125.040  46.278     61.321   ?       ?       13.799  6.5824  0.000000       6.582449 
1 1 1 -28 24  22 o 19.803  8.5288  185.764    74.273   225.205    141.606  170.795    87.236   15.489  7.8243  17.228  8.1087  -1.739593      11.26814 
1 1 1 -28 24  23 o 10.741  5.3958  -47.6123   62.261   -119.4023  130.795  -26.5788   70.797   ?       ?       11.572  5.8052  0.000000       5.805182 
1 1 1 -28 24  24 o 13.003  6.4733  38.287     80.861   -232.9294  334.702  55.098     83.329   ?       ?       13.378  6.6456  0.000000       6.645597 
1 1 1 -28 24  25 o 12.662  6.3999  31.832     95.800   351.159    318.190  -0.0000    100.461  ?       ?       12.241  6.2233  0.000000       6.223318 
1 1 1 -28 25  1  o 16.157  7.6739  120.406    81.527   98.215     204.553  124.597    88.892   ?       ?       15.906  7.6740  0.000000       7.673958 
1 1 1 -28 25  2  o 13.989  6.8455  51.599     77.758   54.209     193.101  51.094     84.950   ?       ?       13.945  6.8882  0.000000       6.888153 
1 1 1 -28 25  3  o 12.016  6.0112  -23.4998   73.470   50.475     201.456  -34.8480   78.904   ?       ?       11.970  6.0208  0.000000       6.020813 
1 1 1 -28 25  4  o 13.919  6.9754  52.731     101.007  -104.4166  253.750  82.320     110.106  ?       ?       14.379  7.2167  0.000000       7.216683 
1 1 1 -28 25  5  o 13.875  6.7839  48.317     75.864   -37.4278   110.345  125.177    104.472  ?       ?       15.289  7.5680  0.000000       7.568023 
1 1 1 -28 25  6  o 25.896  10.107  333.653    91.792   455.885    135.719  230.599    124.617  20.953  9.9368  16.610  8.2295  4.342787       12.90212 
1 1 1 -28 25  7  o 13.865  6.7713  48.373     74.943   47.544     113.188  49.020     100.003  13.797  6.9722  13.827  6.9312  -0.3040409E-01 9.831271 
1 1 1 -28 25  8  o 13.122  6.4925  21.486     76.611   -11.5427   110.795  51.747     106.050  12.978  6.5921  13.859  6.9718  -0.8803434     9.594899 
1 1 1 -28 25  9  o 14.364  6.9909  66.036     77.967   110.916    111.009  22.343     109.530  14.821  7.4104  13.418  6.7876  1.403091       10.04915 
1 1 1 -28 25  10 o 11.772  5.9165  -37.0909   75.393   -156.0891  102.254  104.665    111.604  ?       ?       14.696  7.3602  0.000000       7.360187 
1 1 1 -28 25  11 o 12.301  6.1411  -11.4581   74.921   50.304     107.029  -70.8005   104.911  13.837  6.9663  ?       ?       0.000000       6.966286 
1 1 1 -28 25  12 o 12.730  6.3338  5.1222     76.930   112.363    112.886  -87.8691   105.119  14.817  7.4180  ?       ?       0.000000       7.418008 
1 1 1 -28 25  13 o 14.953  7.1721  80.954     74.980   68.976     109.703  91.455     102.716  14.145  7.1128  14.623  7.2825  -0.4775515     10.17974 
1 1 1 -28 25  14 o 15.034  7.2641  87.299     80.369   91.246     117.752  83.858     109.964  14.455  7.2814  14.418  7.2329  0.3698730E-01  10.26318 
1 1 1 -28 25  15 o 11.990  5.9993  -24.5518   73.338   -75.5309   117.039  8.4048     94.103   ?       ?       13.105  6.5895  0.000000       6.589488 
1 1 1 -28 25  16 o ?       ?       -57.1107   117.284  -57.1107   117.284  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 25  17 o ?       ?       -35.6386   130.149  -35.6386   130.149  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 25  18 o 16.275  8.2082  299.873    152.232  299.873    152.232  0.0000     0.0000   16.275  8.2082  ?       ?       0.000000       8.208200 
1 1 1 -28 25  19 o 11.106  5.5519  -36.2873   62.135   10.864     119.862  -53.6143   72.660   ?       ?       11.235  5.6669  0.000000       5.666881 
1 1 1 -28 25  20 o 12.677  6.1718  22.343     60.901   47.928     114.802  12.324     71.844   13.474  6.8302  12.565  6.2296  0.9088993      9.244466 
1 1 1 -28 25  21 o 11.269  5.5729  -13.3557   56.174   -30.8300   110.119  -7.2090    65.310   ?       ?       11.788  5.8605  0.000000       5.860542 
1 1 1 -28 25  22 o 10.278  5.2054  -73.3328   65.644   -162.5783  297.723  -68.7725   67.300   ?       ?       10.446  5.2881  0.000000       5.288084 
1 1 1 -28 25  23 o 15.227  7.3951  141.824    86.011   187.699    317.121  138.181    89.360   ?       ?       14.932  7.3136  0.000000       7.313645 
1 1 1 -28 26  1  o 10.395  5.2762  -95.5965   70.024   -21.8522   191.495  -106.9794  75.235   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 26  2  o 13.774  6.7368  50.136     75.014   -290.8364  204.819  102.959    80.616   ?       ?       15.318  7.3701  0.000000       7.370148 
1 1 1 -28 26  3  o 11.714  5.8191  -16.2353   63.921   27.564     111.952  -37.4207   77.860   13.361  6.7702  11.761  5.9241  1.600008       8.996135 
1 1 1 -28 26  4  o 11.579  5.8383  -44.9136   76.706   47.375     116.033  -116.5498  102.229  13.629  6.9042  ?       ?       0.000000       6.904244 
1 1 1 -28 26  5  o 15.083  7.3140  99.568     83.286   136.765    124.468  69.410     112.073  14.780  7.4501  13.944  7.0338  0.8359356      10.24591 
1 1 1 -28 26  6  o 12.303  6.1364  -5.1326    74.092   41.465     115.787  -37.4439   96.417   13.538  6.8624  12.258  6.2185  1.280410       9.260826 
1 1 1 -28 26  7  o 12.284  6.1154  -3.8146    72.153   33.153     110.380  -31.3961   95.343   13.417  6.7901  12.322  6.2437  1.095155       9.224380 
1 1 1 -28 26  8  o 10.318  5.2425  -101.5440  70.516   -36.4646   104.500  -155.9523  95.549   12.435  6.3247  ?       ?       0.000000       6.324707 
1 1 1 -28 26  9  o 11.968  5.9954  -20.6520   74.292   9.8402     106.831  -49.2080   103.384  13.074  6.6235  ?       ?       0.000000       6.623457 
1 1 1 -28 26  10 o 12.284  6.1203  -4.9635    72.845   29.469     106.630  -35.0964   99.750   13.364  6.7547  12.370  6.2806  0.9936752      9.223494 
1 1 1 -28 26  11 f 11.544  5.7881  -33.9244   69.915   -19.2583   103.725  -46.1358   94.648   12.666  6.4282  12.117  6.1486  0.5489817      8.895355 
1 1 1 -28 26  12 o 12.347  6.1502  -3.7839    73.392   -42.7748   103.369  35.851     104.219  12.364  6.2885  13.481  6.7980  -1.116736      9.260521 
1 1 1 -28 26  13 o 12.217  6.1028  -10.5666   74.454   -20.1588   104.358  -0.6225    106.255  12.671  6.4322  12.958  6.5689  -0.2873163     9.193674 
1 1 1 -28 26  14 o ?       ?       -220.1613  67.415   -139.7575  100.640  -285.6068  90.797   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 26  15 o ?       ?       33.847     134.472  33.847     134.472  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 26  16 o ?       ?       97.408     138.391  97.408     138.391  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 26  17 o ?       ?       -37.3306   118.999  -37.3306   118.999  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 26  18 o 13.927  6.8333  67.764     79.039   142.764    125.166  18.021     101.934  14.475  7.3166  12.892  6.5246  1.583273       9.803226 
1 1 1 -28 26  19 o 14.660  6.8253  75.068     59.064   -89.5774   120.969  126.606    67.680   ?       ?       16.636  7.5841  0.000000       7.584126 
1 1 1 -28 26  20 o 11.188  5.6221  -28.8662   67.923   199.664    123.224  -128.6058  81.406   14.905  7.5004  ?       ?       0.000000       7.500371 
1 1 1 -28 26  21 o 10.481  5.3009  -56.1778   66.610   -63.5405   299.789  -55.7955   68.318   ?       ?       10.564  5.3457  0.000000       5.345742 
1 1 1 -28 26  22 o 13.280  6.5698  73.835     78.341   154.577    314.066  68.478     80.898   ?       ?       13.104  6.5159  0.000000       6.515929 
1 1 1 -28 27  1  o 12.932  6.3237  27.910     65.997   25.669     132.562  28.648     76.098   ?       ?       13.039  6.4549  0.000000       6.454901 
1 1 1 -28 27  2  o 14.303  6.8731  68.850     69.572   164.926    119.491  19.577     85.572   15.135  7.5855  12.912  6.4635  2.223231       9.965800 
1 1 1 -28 27  3  o 14.700  7.0122  79.454     69.587   63.360     118.421  87.943     86.002   13.661  6.9263  14.481  7.1095  -0.8197098     9.925603 
1 1 1 -28 27  4  o 16.685  7.7357  133.852    74.648   163.183    125.178  117.665    92.991   14.931  7.5193  15.031  7.3822  -0.1001463     10.53734 
1 1 1 -28 27  5  o 13.562  6.7087  50.041     81.605   151.728    121.828  -32.7149   109.904  14.840  7.4666  ?       ?       0.000000       7.466585 
1 1 1 -28 27  6  o 14.396  7.0115  78.889     78.810   16.693     121.389  124.206    103.618  ?       ?       14.844  7.3800  0.000000       7.380000 
1 1 1 -28 27  7  o 11.176  5.6392  -51.9408   72.308   -74.6348   107.376  -33.1103   97.809   ?       ?       12.232  6.2111  0.000000       6.211096 
1 1 1 -28 27  8  o 12.009  6.0019  -11.8090   72.427   -63.3462   110.391  27.144     95.972   ?       ?       13.135  6.6108  0.000000       6.610806 
1 1 1 -28 27  9  o 11.540  5.7859  -29.5675   69.881   -39.6248   104.295  -21.3735   94.139   ?       ?       12.346  6.2506  0.000000       6.250650 
1 1 1 -28 27  10 o 20.380  8.9585  236.621    85.550   298.395    119.896  172.548    122.107  17.857  8.6859  15.200  7.6247  2.657026       11.55772 
1 1 1 -28 27  11 o 10.823  5.4621  -60.5080   68.087   -166.2594  101.397  26.330     91.883   ?       ?       13.088  6.5720  0.000000       6.572019 
1 1 1 -28 27  12 o 11.568  5.8186  -33.6148   73.694   -101.4162  103.390  36.404     105.067  ?       ?       13.281  6.7121  0.000000       6.712140 
1 1 1 -28 27  13 o 14.744  7.4146  145.759    119.363  217.474    132.702  -158.1028  273.158  15.423  7.7638  ?       ?       0.000000       7.763762 
1 1 1 -28 27  14 o ?       ?       256.621    303.988  0.0000     0.0000   256.621    303.988  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 27  15 o ?       ?       17.780     132.778  17.780     132.778  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 27  16 o ?       ?       -57.7615   111.679  -57.7615   111.679  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 27  17 o 16.249  7.7106  155.523    81.954   98.994     124.101  199.242    109.137  13.585  6.9078  15.557  7.7067  -1.971846      10.34947 
1 1 1 -28 27  18 o 12.267  6.0867  20.391     69.145   112.108    125.440  -19.6393   82.872   ?       ?       11.688  5.9118  0.000000       5.911826 
1 1 1 -28 27  19 o 13.955  6.6505  74.978     62.291   34.215     122.730  89.123     72.295   ?       ?       14.053  6.8145  0.000000       6.814488 
1 1 1 -28 27  20 o 12.984  6.4496  65.495     78.463   236.644    304.517  53.325     81.205   ?       ?       12.681  6.3401  0.000000       6.340144 
1 1 1 -28 28  1  o 11.856  5.8631  -1.2697    62.149   -8.0316    108.331  2.0478     75.878   ?       ?       12.281  6.1385  0.000000       6.138514 
1 1 1 -28 28  2  o 12.760  6.2633  26.398     66.626   -12.8226   112.397  47.645     82.728   ?       ?       13.365  6.6362  0.000000       6.636171 
1 1 1 -28 28  3  o 11.633  5.7442  -5.1503    58.895   -78.5968   115.878  20.429     68.386   ?       ?       12.607  6.2187  0.000000       6.218706 
1 1 1 -28 28  4  o 25.304  9.9144  332.434    88.581   724.793    136.827  49.344     116.223  29.647  12.079  13.335  6.7711  16.31248       13.84747 
1 1 1 -28 28  5  o 13.372  6.6161  47.384     79.545   196.567    124.348  -55.9492   103.490  15.267  7.6633  ?       ?       0.000000       7.663261 
1 1 1 -28 28  6  o 11.795  5.9483  -27.3190   79.869   50.688     120.092  -89.1874   106.950  13.345  6.7866  ?       ?       0.000000       6.786644 
1 1 1 -28 28  7  o 11.918  6.0436  -35.8459   90.432   -72.6825   127.739  1.1650     128.041  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  8  o 13.000  6.4398  33.542     76.170   -35.7357   108.833  100.059    106.642  ?       ?       14.118  7.0882  0.000000       7.088154 
1 1 1 -28 28  9  o 13.835  6.7928  66.445     78.533   -17.6940   111.938  148.000    110.206  ?       ?       14.853  7.4199  0.000000       7.419934 
1 1 1 -28 28  10 o 11.240  5.6687  -42.1391   72.604   -97.0236   102.058  14.099     103.308  ?       ?       12.765  6.4715  0.000000       6.471513 
1 1 1 -28 28  11 o 12.657  6.4094  11.492     99.259   61.110     105.823  -351.7065  286.307  13.401  6.7690  ?       ?       0.000000       6.768959 
1 1 1 -28 28  12 o ?       ?       -71.1810   108.259  -41.8314   117.300  -239.8609  281.208  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  13 o ?       ?       295.730    290.658  0.0000     0.0000   295.730    290.658  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  14 o ?       ?       87.012     128.479  87.012     128.479  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  15 f ?       ?       -95.9212   101.900  -95.9212   101.900  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  16 o 12.102  6.0943  12.784     82.107   4.9344     113.667  21.349     118.732  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 28  17 o 12.875  6.4232  59.407     81.339   143.808    118.250  -16.3908   112.062  13.628  6.9108  ?       ?       0.000000       6.910805 
1 1 1 -28 28  18 o 12.022  6.0942  23.203     91.430   -5.9833    237.268  28.293     99.081   ?       ?       12.116  6.1617  0.000000       6.161743 
1 1 1 -28 28  19 o 12.968  6.4048  75.705     73.373   -70.2181   304.972  84.671     75.594   ?       ?       13.140  6.4921  0.000000       6.492095 
1 1 1 -28 29  1  o 9.6987  4.9259  -94.4193   61.773   185.467    110.787  -220.6963  74.415   15.362  7.6364  ?       ?       0.000000       7.636413 
1 1 1 -28 29  2  o 16.409  7.5970  132.083    71.627   162.539    117.582  114.114    90.319   14.691  7.3840  14.623  7.2002  0.6750679E-01  10.31344 
1 1 1 -28 29  3  o 16.442  7.6875  143.384    76.218   211.547    119.980  97.266     98.689   15.394  7.6982  14.015  7.0046  1.378929       10.40802 
1 1 1 -28 29  4  o 14.254  6.8697  79.297     70.777   104.567    118.870  65.419     88.095   13.798  6.9897  13.517  6.7337  0.2810335      9.705601 
1 1 1 -28 29  5  o 12.579  6.2257  25.072     70.605   40.744     113.726  15.243     90.065   13.007  6.6138  12.548  6.3266  0.4593258      9.152559 
1 1 1 -28 29  6  o 12.131  6.0821  2.5404     77.187   48.263     113.072  -37.3583   105.626  13.081  6.6460  ?       ?       0.000000       6.645953 
1 1 1 -28 29  7  o 11.370  5.7092  -23.6792   69.333   9.8250     103.861  -50.6121   93.120   12.540  6.3709  ?       ?       0.000000       6.370870 
1 1 1 -28 29  8  o 13.394  6.5950  58.539     75.737   49.461     111.375  66.348     103.298  13.035  6.6199  13.303  6.7155  -0.2675447     9.429837 
1 1 1 -28 29  9  o 12.933  6.3915  42.426     73.442   -42.9424   109.174  112.988    99.257   ?       ?       14.115  7.0500  0.000000       7.050033 
1 1 1 -28 29  10 o ?       ?       -440.4238  89.683   -440.7540  97.447   -438.5955  229.282  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  11 o ?       ?       9.9905     113.908  -57.6522   125.641  322.255    269.949  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  12 o ?       ?       -315.4367  244.283  0.0000     0.0000   -315.4367  244.283  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  13 o 12.417  6.3018  30.455     99.685   88.796     107.143  -345.3919  271.944  13.191  6.6771  ?       ?       0.000000       6.677114 
1 1 1 -28 29  14 o ?       ?       -9.3280    98.642   -9.3280    98.642   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  15 o ?       ?       61.185     109.463  61.185     109.463  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  16 o 12.302  6.1774  49.137     81.178   -8.2404    114.926  106.268    114.679  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 29  17 o 11.823  5.9866  33.386     86.469   -205.0530  227.457  73.666     93.488   ?       ?       12.406  6.2753  0.000000       6.275348 
1 1 1 -28 30  1  o ?       ?       -105.1021  55.548   -81.9932   104.019  -114.3212  65.700   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  2  o 11.176  5.5981  -20.0026   64.656   143.546    133.898  -69.7316   73.834   ?       ?       10.603  5.3851  0.000000       5.385148 
1 1 1 -28 30  3  o 12.404  6.1378  26.789     68.509   141.075    119.860  -28.6637   83.491   13.948  7.0606  11.537  5.8456  2.410993       9.166393 
1 1 1 -28 30  4  o 14.419  6.8746  87.804     66.702   45.792     116.433  108.327    81.379   ?       ?       14.422  7.0459  0.000000       7.045902 
1 1 1 -28 30  5  o 11.872  5.9103  8.4184     67.407   122.686    119.317  -45.1459   81.692   13.649  6.9236  11.200  5.6861  2.449060       8.959229 
1 1 1 -28 30  6  o 12.658  6.3233  39.519     79.982   111.513    116.647  -24.3628   109.878  13.501  6.8483  ?       ?       0.000000       6.848290 
1 1 1 -28 30  7  o 13.162  6.5209  62.903     78.210   -11.6411   118.435  120.547    104.148  ?       ?       13.809  6.9420  0.000000       6.941976 
1 1 1 -28 30  8  o ?       ?       -93.0277   118.835  -110.3470  127.498  21.595     327.998  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  9  o ?       ?       -134.3638  108.421  -93.9456   117.234  -373.2790  285.027  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  10 o 16.950  8.5110  536.275    153.980  -32.8844   169.930  3148.19    364.027  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  11 o 10.680  5.4082  -40.5089   70.720   41.589     104.883  -108.9517  95.764   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  12 o 14.375  7.0051  127.572    78.997   215.207    114.355  47.575     109.257  14.388  7.2381  ?       ?       0.000000       7.238107 
1 1 1 -28 30  13 o ?       ?       102.094    112.702  102.094    112.702  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 30  14 f 13.584  6.8859  196.368    116.629  196.368    116.629  0.0000     0.0000   13.584  6.8859  ?       ?       0.000000       6.885885 
1 1 1 -28 30  15 o ?       ?       -65.6359   93.199   -214.2943  211.249  -29.7078   103.852  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  1  o 13.837  6.6745  81.587     67.183   96.823     115.269  73.749     82.679   13.099  6.6604  13.180  6.5591  -0.8079720E-01 9.347886 
1 1 1 -28 31  2  o 11.385  5.6609  2.3320     61.034   85.694     113.322  -31.7297   72.438   12.958  6.5902  10.972  5.5476  1.986319       8.614340 
1 1 1 -28 31  3  o 11.534  5.7493  5.8578     64.600   56.189     112.144  -19.1382   79.030   ?       ?       11.335  5.7373  0.000000       5.737338 
1 1 1 -28 31  4  o 14.025  6.7636  91.954     68.872   137.352    116.522  67.578     85.383   13.477  6.8367  12.912  6.4622  0.5649300      9.407473 
1 1 1 -28 31  5  o ?       ?       -86.4578   104.418  -81.7949   110.266  -126.9524  324.944  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  6  o ?       ?       81.249     131.299  77.368     142.531  102.997    337.434  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  7  o ?       ?       -21.4693   128.850  -137.0861  139.201  670.388    340.518  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  8  o ?       ?       55.285     133.981  -54.8978   145.165  688.836    348.094  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  9  o 10.845  5.4913  -23.4033   72.774   -58.9933   108.006  6.1901     98.488   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  10 o 11.136  5.6378  -5.7665    76.595   47.627     108.146  -59.5093   108.499  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  11 o ?       ?       -67.6926   69.989   -107.6237  105.032  -35.8007   93.865   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  12 o 12.937  6.5620  150.694    107.050  127.714    115.225  295.615    289.357  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 31  13 o ?       ?       -100.1834  217.859  -100.1834  217.859  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  1  o 12.354  6.1570  50.524     73.945   162.518    127.660  -6.0222    90.711   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  2  o 13.338  6.5583  90.610     74.076   2.4044     143.402  122.712    86.511   ?       ?       13.652  6.7800  0.000000       6.780047 
1 1 1 -28 32  3  o ?       ?       -112.2927  102.796  -148.8300  108.386  214.788    324.288  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  4  o ?       ?       -47.9499   123.271  -27.7430   132.975  -171.4274  328.713  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  5  f ?       ?       63.640     133.638  21.773     143.557  335.572    365.866  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  6  o ?       ?       -16.9126   128.358  -37.4768   137.141  128.375    364.524  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  7  o 12.464  6.2225  73.646     76.955   29.383     116.435  107.979    102.544  ?       ?       12.552  6.3724  0.000000       6.372431 
1 1 1 -28 32  8  o ?       ?       -106.0522  73.483   -43.0514   113.721  -151.2135  96.283   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  9  o 14.514  7.1359  195.126    87.595   193.103    124.484  197.109    123.283  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 32  10 o 12.323  6.1689  86.815     78.020   122.858    113.813  54.861     107.162  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 33  1  o ?       ?       29.181     148.814  2.4375     161.897  174.873    377.873  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 33  2  o ?       ?       135.152    133.624  121.979    143.220  223.684    371.283  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 33  3  o ?       ?       -22.1874   125.587  -25.6507   133.863  3.2521     362.806  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 33  4  o ?       ?       -38.6834   127.684  -127.3177  136.327  594.594    364.399  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 33  5  o 11.492  5.7553  40.985     68.172   31.983     115.401  45.810     84.491   ?       ?       11.496  5.8307  0.000000       5.830663 
1 1 1 -28 33  6  o 9.8871  4.9871  -21.6782   56.294   -167.3691  110.790  29.027     65.359   ?       ?       11.149  5.5908  0.000000       5.590816 
1 1 1 -28 33  7  o 10.176  5.1682  -19.6565   67.999   -93.0083   113.918  20.947     84.755   ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 34  1  o ?       ?       -3.3934    139.696  18.563     151.930  -123.5019  355.340  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 34  2  o ?       ?       -17.8575   127.382  -42.1014   136.995  136.946    346.172  ?       ?       ?       ?       0.000000       ?        
1 1 1 -28 34  3  o 10.076  5.1163  -14.3019   66.279   50.410     113.583  -47.7132   81.615   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -37 28 o ?       ?       -62.5022   55.561   -55.4128   125.486  -64.2309   61.966   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -37 29 o 13.014  6.3431  96.887     64.863   95.911     137.497  97.166     73.562   ?       ?       12.594  6.2542  0.000000       6.254239 
1 1 1 -27 -37 30 o 10.935  5.5550  12.176     78.910   40.328     160.740  3.2374     90.576   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -37 31 o 11.488  5.8238  47.290     83.598   139.131    166.747  16.456     96.617   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -37 32 o 11.331  5.6794  34.650     67.073   201.259    212.419  16.200     70.689   ?       ?       10.968  5.5393  0.000000       5.539332 
1 1 1 -27 -37 33 o 10.416  5.2227  -0.9378    56.995   124.562    140.045  -25.8507   62.396   ?       ?       10.041  5.0844  0.000000       5.084355 
1 1 1 -27 -37 34 o 10.269  5.1407  -3.6208    54.133   -178.1852  135.309  29.643     59.065   ?       ?       11.204  5.5707  0.000000       5.570654 
1 1 1 -27 -37 35 o 9.8800  4.9741  -19.8191   54.538   -269.0579  130.026  33.390     60.078   ?       ?       11.280  5.6101  0.000000       5.610081 
1 1 1 -27 -37 36 o ?       ?       -71.1840   88.353   552.359    259.012  -153.2937  93.990   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 23 o 10.885  5.4772  7.6607     65.681   0.0000     0.0000   7.6607     65.681   ?       ?       10.885  5.4772  0.000000       5.477174 
1 1 1 -27 -36 24 o 10.752  5.4370  -6.3601    69.745   0.0000     0.0000   -6.3601    69.745   ?       ?       10.752  5.4370  0.000000       5.437006 
1 1 1 -27 -36 25 o ?       ?       -71.9152   66.102   0.0000     0.0000   -71.9152   66.102   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 26 f 10.673  5.3946  -14.6599   67.981   0.0000     0.0000   -14.6599   67.981   ?       ?       10.673  5.3946  0.000000       5.394576 
1 1 1 -27 -36 27 o 12.082  5.9808  47.145     65.290   104.495    134.547  29.481     74.671   ?       ?       11.639  5.8547  0.000000       5.854705 
1 1 1 -27 -36 28 o 10.030  5.0712  -39.6143   60.565   -71.5838   126.483  -30.1031   68.989   ?       ?       10.493  5.3166  0.000000       5.316646 
1 1 1 -27 -36 29 o 11.620  5.7776  27.026     63.578   84.883     132.920  9.8625     72.396   ?       ?       11.310  5.6987  0.000000       5.698678 
1 1 1 -27 -36 30 o 11.348  5.7508  5.6172     80.936   96.667     175.087  -19.1262   91.273   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 31 o 12.808  6.4686  102.517    96.439   199.936    210.801  76.731     108.454  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 32 o ?       ?       -41.9404   86.145   266.405    207.339  -106.2731  94.706   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 33 o 12.742  6.1840  61.354     59.874   169.507    159.423  43.594     64.603   ?       ?       12.092  5.9792  0.000000       5.979161 
1 1 1 -27 -36 34 o 10.417  5.2086  -13.2162   54.832   83.755     136.975  -31.7204   59.835   ?       ?       10.184  5.1376  0.000000       5.137613 
1 1 1 -27 -36 35 o 12.489  6.0957  55.901     60.491   -17.5426   142.025  72.176     66.858   ?       ?       12.837  6.2956  0.000000       6.295566 
1 1 1 -27 -36 36 o 14.438  7.2360  237.484    108.720  321.644    281.693  222.754    117.851  ?       ?       13.770  6.9738  0.000000       6.973762 
1 1 1 -27 -36 37 o ?       ?       41.900     94.769   -116.7869  269.667  64.260     101.226  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -36 38 o 11.854  6.0288  50.179     94.950   -453.3345  257.046  129.739    102.176  ?       ?       12.844  6.5036  0.000000       6.503623 
1 1 1 -27 -36 39 o 13.836  6.6331  104.771    63.964   175.221    149.970  89.106     70.718   ?       ?       12.932  6.3685  0.000000       6.368499 
1 1 1 -27 -36 40 o 9.6918  4.8937  -36.1667   55.027   -115.7540  141.217  -21.9193   59.749   ?       ?       10.170  5.1309  0.000000       5.130902 
1 1 1 -27 -35 19 o 11.631  5.8281  34.980     70.393   0.0000     0.0000   34.980     70.393   ?       ?       11.631  5.8281  0.000000       5.828147 
1 1 1 -27 -35 20 o 11.323  5.7197  11.961     75.630   0.0000     0.0000   11.961     75.630   ?       ?       11.323  5.7197  0.000000       5.719664 
1 1 1 -27 -35 21 o ?       ?       -75.6573   109.986  0.0000     0.0000   -75.6573   109.986  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -35 22 o ?       ?       -22.2432   113.356  0.0000     0.0000   -22.2432   113.356  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -35 23 o 11.526  5.7816  12.141     70.151   0.0000     0.0000   12.141     70.151   ?       ?       11.526  5.7816  0.000000       5.781618 
1 1 1 -27 -35 24 o 11.716  5.8501  18.847     68.130   0.0000     0.0000   18.847     68.130   ?       ?       11.716  5.8501  0.000000       5.850124 
1 1 1 -27 -35 25 o 11.879  5.9380  22.551     71.039   378.269    242.665  -10.7911   74.293   ?       ?       11.254  5.6830  0.000000       5.682950 
1 1 1 -27 -35 26 o 14.381  6.8951  104.796    69.159   253.669    139.176  55.982     79.695   ?       ?       12.653  6.3196  0.000000       6.319574 
1 1 1 -27 -35 27 o 13.225  6.4420  67.355     66.590   168.966    137.168  36.024     76.167   ?       ?       12.278  6.1391  0.000000       6.139120 
1 1 1 -27 -35 28 o 13.127  6.4403  65.969     70.183   146.487    160.837  47.032     78.001   ?       ?       12.543  6.2628  0.000000       6.262794 
1 1 1 -27 -35 29 o 10.598  5.3381  -33.0085   63.179   -223.3844  146.987  10.135     69.973   ?       ?       11.712  5.8600  0.000000       5.860019 
1 1 1 -27 -35 30 o 13.793  6.7513  92.856     75.760   344.819    217.958  58.230     80.798   ?       ?       12.805  6.3902  0.000000       6.390247 
1 1 1 -27 -35 31 o 11.586  5.8758  -10.9394   85.633   77.008     204.112  -29.7257   94.336   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -35 32 o 11.915  6.0235  10.547     85.107   -241.1035  205.555  62.611     93.497   ?       ?       12.779  6.4436  0.000000       6.443559 
1 1 1 -27 -35 33 f 13.430  6.5755  76.438     72.023   177.415    156.008  49.087     81.194   ?       ?       12.605  6.3078  0.000000       6.307759 
1 1 1 -27 -35 34 o 12.107  5.9689  28.665     62.740   56.786     134.257  20.808     70.965   ?       ?       11.960  5.9719  0.000000       5.971903 
1 1 1 -27 -35 35 o 12.749  6.2100  49.513     61.884   61.054     138.294  46.624     69.198   ?       ?       12.583  6.2157  0.000000       6.215705 
1 1 1 -27 -35 36 o 11.366  5.6486  5.1548     60.485   62.191     135.501  -9.0382    67.594   ?       ?       11.197  5.6245  0.000000       5.624479 
1 1 1 -27 -35 37 o ?       ?       24.698     119.664  -334.1700  251.891  129.296    135.990  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -35 38 o ?       ?       101.713    124.147  150.291    260.246  87.401     141.256  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -35 39 o 12.271  6.0422  41.346     63.622   -13.9580   145.264  54.472     70.771   ?       ?       12.567  6.2219  0.000000       6.221939 
1 1 1 -27 -35 40 o 10.597  5.3290  -20.7721   61.655   9.2850     144.249  -27.4907   68.199   ?       ?       10.672  5.3945  0.000000       5.394512 
1 1 1 -27 -35 41 o 12.802  6.2745  66.286     66.100   33.098     144.476  75.072     74.336   ?       ?       12.835  6.3585  0.000000       6.358535 
1 1 1 -27 -35 42 o 12.826  6.2985  72.715     67.642   135.456    145.932  55.546     76.338   ?       ?       12.222  6.1160  0.000000       6.115950 
1 1 1 -27 -34 17 o 10.660  5.0440  12.495     34.591   0.0000     0.0000   12.495     34.591   ?       ?       10.660  5.0440  0.000000       5.044006 
1 1 1 -27 -34 18 o 13.071  6.4082  70.898     69.073   0.0000     0.0000   70.898     69.073   ?       ?       13.071  6.4082  0.000000       6.408154 
1 1 1 -27 -34 19 o 13.666  6.6668  88.799     72.112   0.0000     0.0000   88.799     72.112   ?       ?       13.666  6.6668  0.000000       6.666814 
1 1 1 -27 -34 20 o 12.019  5.9638  24.356     66.366   0.0000     0.0000   24.356     66.366   ?       ?       12.019  5.9638  0.000000       5.963784 
1 1 1 -27 -34 21 o ?       ?       53.813     135.019  0.0000     0.0000   53.813     135.019  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 22 o ?       ?       -75.2057   111.454  0.0000     0.0000   -75.2057   111.454  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 23 o 19.767  8.9250  284.370    91.011   0.0000     0.0000   284.370    91.011   ?       ?       19.767  8.9250  0.000000       8.925028 
1 1 1 -27 -34 24 o 16.213  7.4433  128.060    66.724   101.511    135.359  136.581    76.689   ?       ?       15.606  7.4210  0.000000       7.421037 
1 1 1 -27 -34 25 o 9.7200  4.9272  -78.4603   59.736   -100.8501  118.706  -70.8676   69.127   ?       ?       10.358  5.2560  0.000000       5.256022 
1 1 1 -27 -34 26 o 12.009  5.9364  14.002     63.524   63.270     143.422  1.9779     70.852   ?       ?       11.845  5.9223  0.000000       5.922328 
1 1 1 -27 -34 27 o 12.606  6.1791  33.061     64.161   -21.0140   126.147  51.931     74.520   ?       ?       13.119  6.4749  0.000000       6.474862 
1 1 1 -27 -34 28 o 9.8290  4.9773  -75.0985   59.881   35.569     143.943  -98.2590   65.850   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 29 o 12.587  6.2328  30.322     71.132   -63.5009   156.057  54.927     79.917   ?       ?       13.182  6.5415  0.000000       6.541491 
1 1 1 -27 -34 30 o 12.010  5.9613  9.9768     66.551   -171.1927  159.845  47.968     73.198   ?       ?       13.063  6.4417  0.000000       6.441680 
1 1 1 -27 -34 31 o 11.633  5.8950  -29.3159   85.034   141.116    193.547  -70.0825   94.659   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 32 o 11.752  5.9493  -21.6007   85.092   44.532     185.112  -39.3187   95.815   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 33 o ?       ?       -130.6939  65.086   -395.6773  171.972  -86.3923   70.317   ?       ?       10.221  5.1975  0.000000       5.197522 
1 1 1 -27 -34 34 o 10.211  5.1509  -56.2139   60.095   -86.8347   130.185  -47.9221   67.745   ?       ?       10.750  5.4280  0.000000       5.428040 
1 1 1 -27 -34 35 o 14.127  6.7319  75.187     63.793   -97.5396   135.492  124.381    72.309   ?       ?       15.647  7.3698  0.000000       7.369844 
1 1 1 -27 -34 36 o 12.828  6.2540  40.782     63.148   24.625     141.918  44.770     70.513   ?       ?       12.919  6.3612  0.000000       6.361156 
1 1 1 -27 -34 37 o 14.747  7.4866  256.010    141.478  112.360    288.668  301.424    162.309  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 38 o 13.979  7.1046  168.596    130.041  -156.8761  269.595  267.284    148.453  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 39 f 10.946  5.5078  -28.8819   66.380   -495.4208  256.040  4.7353     68.730   ?       ?       11.747  5.8672  0.000000       5.867200 
1 1 1 -27 -34 40 o 11.200  5.6085  -12.3230   64.712   96.741     141.637  -41.0957   72.749   ?       ?       10.889  5.5110  0.000000       5.510952 
1 1 1 -27 -34 41 o 10.405  5.2490  -42.7071   62.446   -168.4188  144.923  -14.0449   69.200   ?       ?       11.225  5.6452  0.000000       5.645165 
1 1 1 -27 -34 42 o 11.228  5.6078  -2.8925    62.736   -140.2708  140.219  31.491     70.149   ?       ?       12.174  6.0555  0.000000       6.055500 
1 1 1 -27 -34 43 o 10.087  5.1117  -56.3007   63.963   27.765     144.785  -76.6866   71.298   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -34 44 o 11.191  5.5735  5.7413     60.197   -22.3601   145.472  11.547     66.124   ?       ?       11.435  5.7179  0.000000       5.717876 
1 1 1 -27 -33 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -33 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -33 16 o 9.3451  4.3505  1.3643     23.992   0.0000     0.0000   1.3643     23.992   ?       ?       9.3451  4.3505  0.000000       4.350516 
1 1 1 -27 -33 17 o 21.926  10.160  558.083    128.527  0.0000     0.0000   558.083    128.527  ?       ?       21.926  10.160  0.000000       10.16028 
1 1 1 -27 -33 18 o 11.913  5.9243  9.3589     66.929   0.0000     0.0000   9.3589     66.929   ?       ?       11.913  5.9243  0.000000       5.924262 
1 1 1 -27 -33 19 o 12.397  6.0861  25.805     62.999   0.0000     0.0000   25.805     62.999   ?       ?       12.397  6.0861  0.000000       6.086143 
1 1 1 -27 -33 20 o 16.540  7.7726  157.904    79.604   0.0000     0.0000   157.904    79.604   ?       ?       16.540  7.7726  0.000000       7.772609 
1 1 1 -27 -33 21 o ?       ?       79.695     159.128  0.0000     0.0000   79.695     159.128  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 22 o ?       ?       222.719    157.555  0.0000     0.0000   222.719    157.555  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 23 o 13.482  6.8465  72.819     119.048  307.886    375.786  46.595     125.512  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 24 o 14.351  6.8543  74.850     66.915   -113.8911  140.660  130.059    76.075   ?       ?       16.047  7.5588  0.000000       7.558782 
1 1 1 -27 -33 25 o 14.747  6.9485  80.932     64.380   189.011    128.722  44.876     74.347   14.924  7.5293  13.266  6.5321  1.657971       9.967845 
1 1 1 -27 -33 26 o 12.058  5.9447  6.5113     62.205   126.368    129.976  -29.0977   70.846   14.123  7.1701  11.455  5.7542  2.667931       9.193568 
1 1 1 -27 -33 27 o 13.191  6.4026  40.490     64.218   112.298    151.199  24.685     70.934   ?       ?       12.739  6.2930  0.000000       6.293015 
1 1 1 -27 -33 28 o 11.560  5.7694  -17.3888   65.922   300.674    184.682  -63.8314   70.571   ?       ?       10.798  5.4612  0.000000       5.461171 
1 1 1 -27 -33 29 o 14.463  6.9174  76.658     68.655   131.764    152.883  62.739     76.838   ?       ?       13.808  6.7671  0.000000       6.767068 
1 1 1 -27 -33 30 o 16.019  7.4650  116.416    70.918   79.212     149.538  127.212    80.552   ?       ?       15.752  7.5223  0.000000       7.522280 
1 1 1 -27 -33 31 o 14.279  7.0475  88.393     88.312   15.658     150.659  126.465    109.001  ?       ?       14.574  7.2952  0.000000       7.295242 
1 1 1 -27 -33 32 o 13.659  6.7982  61.983     88.948   -3.9343    182.123  82.632     101.932  ?       ?       13.923  6.9817  0.000000       6.981666 
1 1 1 -27 -33 33 o ?       ?       -101.4115  80.693   -169.2114  183.258  -85.1043   89.874   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 34 o 9.9490  5.0126  -64.4290   55.945   -284.8446  132.451  -16.5668   61.721   ?       ?       11.417  5.6792  0.000000       5.679204 
1 1 1 -27 -33 35 o 10.653  5.3126  -33.5476   55.435   -196.0214  131.942  1.2815     61.089   ?       ?       11.880  5.8631  0.000000       5.863087 
1 1 1 -27 -33 36 o 14.713  6.9580  81.344     65.654   224.665    137.308  38.865     74.753   15.153  7.6597  13.110  6.4732  2.043395       10.02862 
1 1 1 -27 -33 37 o ?       ?       -159.1505  91.612   -106.7135  123.483  -223.3481  136.630  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 38 o ?       ?       32.371     130.354  -93.7837   254.880  77.057     151.693  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 39 o 15.835  7.9943  320.603    146.551  377.180    298.819  302.685    168.164  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -33 40 o 13.188  6.4538  47.145     69.119   -46.1751   142.251  75.987     79.083   ?       ?       13.881  6.8153  0.000000       6.815346 
1 1 1 -27 -33 41 o 15.273  7.2344  110.818    71.520   131.527    150.449  104.772    81.292   ?       ?       14.535  7.0884  0.000000       7.088360 
1 1 1 -27 -33 42 o 15.064  7.2067  114.272    74.642   15.110     159.959  141.874    84.393   ?       ?       15.366  7.4291  0.000000       7.429081 
1 1 1 -27 -33 43 o 11.601  5.8145  -5.2784    70.280   -63.4313   145.901  12.292     80.198   ?       ?       12.125  6.0951  0.000000       6.095115 
1 1 1 -27 -33 44 o 14.181  6.7578  84.384     64.292   127.270    152.206  75.070     70.931   ?       ?       13.580  6.6222  0.000000       6.622159 
1 1 1 -27 -33 45 o 12.386  6.1130  38.148     66.400   6.7636     255.953  40.412     68.754   ?       ?       12.442  6.1551  0.000000       6.155094 
1 1 1 -27 -32 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -32 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -32 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -32 15 o 14.243  5.6639  45.552     29.306   0.0000     0.0000   45.552     29.306   ?       ?       14.243  5.6639  0.000000       5.663909 
1 1 1 -27 -32 16 o ?       ?       -186.5391  9.3494   0.0000     0.0000   -186.5391  9.3494   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 17 o 13.506  6.7628  60.524     93.987   0.0000     0.0000   60.524     93.987   ?       ?       13.506  6.7628  0.000000       6.762839 
1 1 1 -27 -32 18 o 12.001  5.9021  5.3889     60.089   0.0000     0.0000   5.3889     60.089   ?       ?       12.001  5.9021  0.000000       5.902096 
1 1 1 -27 -32 19 o 12.662  6.1847  22.824     62.591   0.0000     0.0000   22.824     62.591   ?       ?       12.662  6.1847  0.000000       6.184744 
1 1 1 -27 -32 20 o 11.357  5.6753  -27.5017   64.700   0.0000     0.0000   -27.5017   64.700   ?       ?       11.357  5.6753  0.000000       5.675336 
1 1 1 -27 -32 21 o 11.561  5.7740  -23.1376   66.519   0.0000     0.0000   -23.1376   66.519   ?       ?       11.561  5.7740  0.000000       5.773983 
1 1 1 -27 -32 22 o ?       ?       -42.7472   133.288  -76.3913   333.784  -36.3645   145.383  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 23 o ?       ?       2.3699     141.175  -43.8901   351.608  11.261     154.146  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 24 o ?       ?       -118.3965  59.927   -238.6552  126.790  -83.8039   68.002   ?       ?       10.445  5.2907  0.000000       5.290745 
1 1 1 -27 -32 25 o 16.876  7.6888  123.538    69.439   116.264    159.937  125.228    77.082   ?       ?       16.286  7.6515  0.000000       7.651546 
1 1 1 -27 -32 26 o 13.020  6.3697  27.283     67.186   54.909     164.207  21.729     73.631   ?       ?       12.935  6.3938  0.000000       6.393751 
1 1 1 -27 -32 27 o 15.716  7.3941  103.592    72.415   215.799    156.906  73.224     81.628   ?       ?       14.327  7.0115  0.000000       7.011492 
1 1 1 -27 -32 28 o 11.499  5.7328  -24.7861   64.352   -1.4886    146.484  -30.3575   71.634   ?       ?       11.664  5.8496  0.000000       5.849578 
1 1 1 -27 -32 29 o 11.223  5.6370  -43.8408   67.841   -50.9934   144.826  -41.8301   76.787   ?       ?       11.629  5.8609  0.000000       5.860865 
1 1 1 -27 -32 30 o 14.135  6.8339  60.934     71.402   83.820     147.393  53.916     81.618   ?       ?       13.819  6.8120  0.000000       6.811966 
1 1 1 -27 -32 31 o 13.331  6.6375  33.455     85.080   31.522     143.303  34.507     105.731  ?       ?       13.424  6.7789  0.000000       6.778936 
1 1 1 -27 -32 32 o 13.448  6.7139  38.246     89.562   77.780     183.195  25.830     102.668  ?       ?       13.280  6.7029  0.000000       6.702854 
1 1 1 -27 -32 33 o 12.307  6.2071  -20.7839   87.065   92.941     150.646  -77.8214   106.687  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 34 o 10.339  5.2278  -79.0567   64.429   -153.0112  126.124  -52.9428   74.946   ?       ?       11.354  5.7305  0.000000       5.730463 
1 1 1 -27 -32 35 o 12.089  5.9691  -1.5581    63.581   -4.3037    131.787  -0.7252    72.587   ?       ?       12.363  6.1514  0.000000       6.151366 
1 1 1 -27 -32 36 o 12.985  6.3579  25.990     67.364   209.174    140.831  -28.3568   76.708   15.343  7.7558  11.874  5.9677  3.469512       9.785967 
1 1 1 -27 -32 37 o 13.330  6.4766  37.302     66.152   102.844    140.224  18.540     75.025   ?       ?       12.862  6.3747  0.000000       6.374672 
1 1 1 -27 -32 38 o ?       ?       -234.7587  117.591  -176.1999  227.580  -256.0871  137.347  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 39 o ?       ?       -121.4223  116.325  -57.5459   243.872  -140.2360  132.351  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -32 40 o 13.052  6.2765  33.420     58.274   -183.9041  130.919  87.117     65.076   ?       ?       15.229  7.1150  0.000000       7.114996 
1 1 1 -27 -32 41 o 10.215  5.1318  -55.7453   56.426   -76.3474   128.016  -50.7776   62.862   ?       ?       10.709  5.3850  0.000000       5.384976 
1 1 1 -27 -32 42 o 19.722  8.5964  203.149    77.308   216.422    152.789  198.582    89.627   ?       ?       17.583  8.2578  0.000000       8.257819 
1 1 1 -27 -32 43 o 11.462  5.7261  -18.2851   65.649   -108.7660  146.816  4.3278     73.396   ?       ?       12.199  6.0882  0.000000       6.088167 
1 1 1 -27 -32 44 o 13.645  6.6917  65.039     75.505   151.498    176.128  45.572     83.574   ?       ?       13.089  6.5266  0.000000       6.526561 
1 1 1 -27 -32 45 o 13.591  6.5735  62.438     66.226   99.338     153.097  53.944     73.454   ?       ?       13.208  6.5017  0.000000       6.501653 
1 1 1 -27 -32 46 o 9.7621  4.9337  -64.7042   56.774   -25.0588   147.132  -71.6398   61.540   ?       ?       9.9141  5.0230  0.000000       5.023010 
1 1 1 -27 -32 47 o ?       ?       -60.9103   78.746   81.879     188.058  -91.2698   86.715   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -31 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -31 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -31 13 o 14.671  5.3810  43.901     25.080   0.0000     0.0000   43.901     25.080   ?       ?       14.671  5.3810  0.000000       5.380967 
1 1 1 -27 -31 14 o 9.7640  4.2816  8.5302     19.437   0.0000     0.0000   8.5302     19.437   ?       ?       9.7640  4.2816  0.000000       4.281619 
1 1 1 -27 -31 15 o 4.3107  2.1832  -36.9464   11.547   0.0000     0.0000   -36.9464   11.547   ?       ?       4.3107  2.1832  0.000000       2.183182 
1 1 1 -27 -31 16 o 44.747  9.8227  628.675    103.725  0.0000     0.0000   628.675    103.725  ?       ?       44.747  9.8227  0.000000       9.822679 
1 1 1 -27 -31 17 o 11.131  5.6124  -57.3293   70.924   0.0000     0.0000   -57.3293   70.924   ?       ?       11.131  5.6124  0.000000       5.612351 
1 1 1 -27 -31 18 o 16.197  7.8110  143.941    91.874   0.0000     0.0000   143.941    91.874   ?       ?       16.197  7.8110  0.000000       7.811034 
1 1 1 -27 -31 19 o 16.240  7.5186  107.056    70.145   0.0000     0.0000   107.056    70.145   ?       ?       16.240  7.5186  0.000000       7.518631 
1 1 1 -27 -31 20 o 14.835  6.9385  68.340     62.173   38.581     116.804  80.105     73.442   13.678  6.9290  14.958  7.1541  -1.279603      9.959505 
1 1 1 -27 -31 21 o 11.346  5.6630  -34.0313   63.515   -76.0938   128.732  -20.4970   73.022   ?       ?       12.057  6.0259  0.000000       6.025871 
1 1 1 -27 -31 22 o ?       ?       107.591    143.180  361.596    357.698  59.127     156.243  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 23 o ?       ?       263.492    170.317  0.0000     0.0000   263.492    170.317  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 24 o 11.713  5.8770  -36.3745   72.761   130.153    163.536  -77.4762   81.245   ?       ?       11.325  5.7413  0.000000       5.741265 
1 1 1 -27 -31 25 o 12.540  6.2113  2.1821     70.793   135.022    162.150  -29.1016   78.689   ?       ?       12.067  6.0623  0.000000       6.062251 
1 1 1 -27 -31 26 o 10.512  5.3117  -78.2600   65.569   5.0985     161.708  -94.6620   71.731   ?       ?       10.584  5.3685  0.000000       5.368515 
1 1 1 -27 -31 27 o 11.247  5.6354  -43.1353   65.810   -89.8727   158.989  -33.4718   72.294   ?       ?       11.746  5.8887  0.000000       5.888686 
1 1 1 -27 -31 28 o 12.062  6.0001  -14.1387   68.892   -77.1712   153.357  1.7972     77.110   ?       ?       12.672  6.3109  0.000000       6.310900 
1 1 1 -27 -31 29 o 16.113  7.5402  108.286    73.600   256.893    151.776  62.596     84.158   15.936  8.0549  14.217  6.9906  1.718685       10.66537 
1 1 1 -27 -31 30 f 13.664  6.6425  41.078     69.835   90.735     146.749  26.541     79.402   ?       ?       13.304  6.5877  0.000000       6.587652 
1 1 1 -27 -31 31 o 10.549  5.3248  -74.3662   64.870   16.364     118.690  -113.0139  77.464   13.432  6.8229  ?       ?       0.000000       6.822884 
1 1 1 -27 -31 32 f 14.237  7.0306  63.829     88.264   24.826     164.660  79.554     104.554  ?       ?       14.407  7.2020  0.000000       7.201976 
1 1 1 -27 -31 33 o 12.131  6.1646  -61.2661   97.777   0.0000     0.0000   -61.2661   97.777   ?       ?       12.131  6.1646  0.000000       6.164614 
1 1 1 -27 -31 34 o 14.194  6.8867  56.592     74.110   -1.3954    137.487  80.342     87.988   ?       ?       14.685  7.2060  0.000000       7.205957 
1 1 1 -27 -31 35 o 15.470  7.2037  83.082     65.837   196.111    140.138  51.070     74.580   15.578  7.8591  14.021  6.8270  1.557240       10.41025 
1 1 1 -27 -31 36 o 15.404  7.2530  85.742     69.933   84.892     143.219  86.008     80.136   ?       ?       15.047  7.2660  0.000000       7.266029 
1 1 1 -27 -31 37 o 14.731  7.0004  68.320     68.026   42.594     141.669  76.028     77.551   ?       ?       14.779  7.1394  0.000000       7.139449 
1 1 1 -27 -31 38 o 14.405  7.3077  95.724     133.161  61.612     260.414  107.801    154.950  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 39 o ?       ?       22.846     132.836  -107.1581  259.363  69.073     154.660  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 40 f 15.455  7.2755  89.278     70.287   -0.9020    142.308  118.374    80.834   ?       ?       16.062  7.6324  0.000000       7.632386 
1 1 1 -27 -31 41 o 13.573  6.5909  40.207     68.254   65.530     142.363  32.649     77.775   ?       ?       13.387  6.6084  0.000000       6.608434 
1 1 1 -27 -31 42 o 16.582  7.6555  119.702    71.976   88.587     148.493  129.257    82.288   ?       ?       16.215  7.7037  0.000000       7.703721 
1 1 1 -27 -31 43 o 10.577  5.3442  -71.4696   66.244   -72.8879   155.681  -71.1560   73.201   ?       ?       10.944  5.5375  0.000000       5.537473 
1 1 1 -27 -31 44 o 13.135  6.4285  33.632     68.655   6.6591     155.584  40.154     76.506   ?       ?       13.342  6.5807  0.000000       6.580709 
1 1 1 -27 -31 45 o 13.797  6.6179  55.610     63.868   -103.0425  154.127  88.501     70.177   ?       ?       14.894  7.0873  0.000000       7.087251 
1 1 1 -27 -31 46 f 11.755  5.8234  -1.8651    62.331   -196.7092  152.466  37.234     68.299   ?       ?       12.983  6.3663  0.000000       6.366275 
1 1 1 -27 -31 47 o 11.485  5.8067  -31.3398   79.282   146.138    158.248  -90.8148   91.608   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -31 48 f 12.006  6.0247  8.8658     76.552   -71.9843   194.235  23.734     83.294   ?       ?       12.362  6.2138  0.000000       6.213754 
1 1 1 -27 -30 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -30 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -30 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -30 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -30 12 o ?       ?       -39.3900   5.1991   0.0000     0.0000   -39.3900   5.1991   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 13 o 12.168  4.8632  24.632     21.708   0.0000     0.0000   24.632     21.708   ?       ?       12.168  4.8632  0.000000       4.863152 
1 1 1 -27 -30 14 o 8.3200  3.0165  8.9259     7.8485   0.0000     0.0000   8.9259     7.8485   ?       ?       8.3200  3.0165  0.000000       3.016461 
1 1 1 -27 -30 15 o ?       ?       -444.9437  24.852   0.0000     0.0000   -444.9437  24.852   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 16 o 10.035  5.0694  -85.3340   59.488   0.0000     0.0000   -85.3340   59.488   ?       ?       10.035  5.0694  0.000000       5.069400 
1 1 1 -27 -30 17 o 14.054  6.8875  48.280     79.582   0.0000     0.0000   48.280     79.582   ?       ?       14.054  6.8875  0.000000       6.887538 
1 1 1 -27 -30 18 o 14.565  7.1141  66.325     82.808   0.0000     0.0000   66.325     82.808   ?       ?       14.565  7.1141  0.000000       7.114112 
1 1 1 -27 -30 19 o 19.460  8.1272  141.173    64.028   108.115    125.984  152.686    74.345   14.858  7.4904  18.632  8.2632  -3.773825      11.15283 
1 1 1 -27 -30 20 o 12.916  6.2711  16.911     61.741   -0.4543    117.069  23.601     72.669   13.404  6.8050  13.329  6.5424  0.7415199E-01  9.439874 
1 1 1 -27 -30 21 o 12.767  6.2281  12.141     62.898   110.537    126.783  -19.9827   72.442   14.850  7.4899  12.179  6.0736  2.671165       9.642976 
1 1 1 -27 -30 22 o 15.256  7.7220  161.463    143.155  343.668    336.716  121.262    158.161  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 23 o ?       ?       -58.5337   132.003  -56.9316   332.642  -58.8332   143.811  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 24 o 12.457  6.1633  -3.5807    69.022   -108.7141  154.976  22.433     77.089   ?       ?       13.319  6.5759  0.000000       6.575921 
1 1 1 -27 -30 25 o 12.414  6.1519  -6.1876    69.769   227.999    161.362  -60.0359   77.376   15.630  7.9405  11.546  5.8266  4.083632       9.848903 
1 1 1 -27 -30 26 o 17.288  7.9753  135.946    77.899   275.416    164.989  95.937     88.368   16.042  8.1378  15.255  7.4286  0.7866716      11.01855 
1 1 1 -27 -30 27 o 17.232  7.9623  135.124    78.119   173.159    168.146  124.655    88.218   ?       ?       16.145  7.7531  0.000000       7.753073 
1 1 1 -27 -30 28 o 16.121  7.6227  110.116    78.737   189.630    169.950  88.385     88.847   ?       ?       15.033  7.3482  0.000000       7.348189 
1 1 1 -27 -30 29 o 10.700  5.3993  -75.2519   66.373   -106.9126  137.536  -65.6402   75.781   ?       ?       11.377  5.7445  0.000000       5.744496 
1 1 1 -27 -30 30 o 13.958  6.7816  44.998     72.514   111.667    137.328  19.223     85.389   14.733  7.4685  13.356  6.6497  1.376761       9.999902 
1 1 1 -27 -30 31 o 14.587  7.0287  63.845     74.005   -87.0498   145.505  116.500    85.953   ?       ?       16.008  7.6782  0.000000       7.678203 
1 1 1 -27 -30 32 o 14.332  7.0647  60.138     87.739   111.666    156.079  36.332     106.088  ?       ?       13.835  6.9614  0.000000       6.961432 
1 1 1 -27 -30 33 o 14.587  7.0481  64.332     75.672   215.304    159.588  20.542     85.948   15.572  7.9097  13.406  6.6740  2.166119       10.34918 
1 1 1 -27 -30 34 o 13.943  6.7336  43.715     68.865   122.555    173.758  29.023     75.007   ?       ?       13.510  6.6342  0.000000       6.634159 
1 1 1 -27 -30 35 o 16.531  7.5039  98.931     65.354   169.732    130.115  75.042     75.580   15.715  7.8814  14.991  7.1931  0.7235985      10.67043 
1 1 1 -27 -30 36 o 14.500  6.9573  58.473     70.689   206.169    145.304  12.679     80.909   15.865  8.0037  13.200  6.5555  2.665545       10.34569 
1 1 1 -27 -30 37 o 13.904  6.6644  41.279     64.494   -160.5074  134.628  101.381    73.473   ?       ?       16.173  7.5574  0.000000       7.557365 
1 1 1 -27 -30 38 o 16.642  8.3336  251.362    142.869  507.179    276.164  157.876    166.945  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 39 o ?       ?       -61.0860   130.259  -17.5451   250.811  -77.1676   152.427  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -30 40 o 12.504  6.1858  -4.7440    69.443   -207.9078  255.963  11.398     72.149   ?       ?       13.015  6.4136  0.000000       6.413625 
1 1 1 -27 -30 41 o 12.702  6.2533  4.5544     68.030   45.342     149.714  -6.0588    76.369   ?       ?       12.655  6.2989  0.000000       6.298949 
1 1 1 -27 -30 42 o 15.658  7.2540  83.364     65.468   -153.3952  148.141  140.826    72.981   ?       ?       18.072  8.0895  0.000000       8.089544 
1 1 1 -27 -30 43 o 13.009  6.3800  17.496     68.679   -256.8065  158.678  80.727     76.185   ?       ?       15.055  7.2232  0.000000       7.223179 
1 1 1 -27 -30 44 f 13.489  6.5997  34.494     72.164   -54.1868   161.290  56.690     80.692   ?       ?       14.122  6.9237  0.000000       6.923694 
1 1 1 -27 -30 45 o 13.928  6.7026  50.640     66.760   -14.8647   154.605  65.653     74.016   ?       ?       14.359  6.9462  0.000000       6.946179 
1 1 1 -27 -30 46 o 10.491  5.2692  -55.1671   59.255   -114.9489  153.107  -44.6353   64.263   ?       ?       11.011  5.5245  0.000000       5.524533 
1 1 1 -27 -30 47 o 12.818  6.2580  27.114     63.863   -101.9583  155.748  53.202     70.021   ?       ?       13.675  6.6485  0.000000       6.648482 
1 1 1 -27 -30 48 o 11.555  5.8530  -41.9380   83.229   165.265    195.042  -88.0671   92.028   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -29 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -29 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -29 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -29 11 o ?       ?       -46.6035   5.7406   0.0000     0.0000   -46.6035   5.7406   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 12 o 13.478  5.1333  32.602     23.267   0.0000     0.0000   32.602     23.267   ?       ?       13.478  5.1333  0.000000       5.133252 
1 1 1 -27 -29 13 o 9.5609  4.2220  5.4949     19.206   0.0000     0.0000   5.4949     19.206   ?       ?       9.5609  4.2220  0.000000       4.221981 
1 1 1 -27 -29 14 o 19.346  7.4432  106.318    49.232   0.0000     0.0000   106.318    49.232   ?       ?       19.346  7.4432  0.000000       7.443204 
1 1 1 -27 -29 15 o ?       ?       -140.2996  48.217   0.0000     0.0000   -140.2996  48.217   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 16 o 18.455  8.0530  130.731    68.011   0.0000     0.0000   130.731    68.011   ?       ?       18.455  8.0530  0.000000       8.053003 
1 1 1 -27 -29 17 o 15.083  7.3135  76.591     83.203   0.0000     0.0000   76.591     83.203   ?       ?       15.083  7.3135  0.000000       7.313456 
1 1 1 -27 -29 18 o 11.524  5.7213  -31.1431   61.398   -81.8060   128.369  -16.1154   69.914   ?       ?       12.310  6.1102  0.000000       6.110240 
1 1 1 -27 -29 19 o 14.597  6.8218  54.276     59.905   67.022     114.331  49.452     70.332   14.513  7.2930  14.295  6.8793  0.2177954      10.02563 
1 1 1 -27 -29 20 o 10.855  5.3805  -36.8824   53.494   44.007     105.679  -64.7490   62.028   14.140  7.0932  10.731  5.3901  3.408899       8.908793 
1 1 1 -27 -29 21 o 11.955  5.9020  -16.4814   62.081   -101.8987  124.637  11.702     71.594   ?       ?       13.088  6.4379  0.000000       6.437866 
1 1 1 -27 -29 22 o ?       ?       -149.9661  123.849  -57.7931   328.638  -165.2232  133.706  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 23 o ?       ?       39.256     143.545  215.112    351.829  4.1375     157.226  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 24 o 13.025  6.3903  11.517     69.091   -330.7102  341.562  26.117     70.549   ?       ?       13.499  6.5876  0.000000       6.587584 
1 1 1 -27 -29 25 o 15.212  7.2021  73.614     70.718   -15.0741   152.064  98.089     79.882   ?       ?       15.850  7.5476  0.000000       7.547591 
1 1 1 -27 -29 26 o 10.627  5.3716  -87.1859   67.465   -137.2214  147.987  -74.0587   75.800   ?       ?       11.331  5.7241  0.000000       5.724110 
1 1 1 -27 -29 27 o 13.718  6.7263  31.114     76.178   -18.8026   160.694  45.583     86.518   ?       ?       14.151  6.9827  0.000000       6.982749 
1 1 1 -27 -29 28 o 16.368  7.6825  107.817    77.370   205.905    145.417  69.085     91.378   16.047  8.0846  14.714  7.2444  1.333368       10.85551 
1 1 1 -27 -29 29 o 10.454  5.2618  -73.9862   60.868   44.282     132.195  -105.8060  68.569   14.182  7.2033  10.374  5.2610  3.807517       8.919949 
1 1 1 -27 -29 30 o 9.3007  4.7199  -112.2109  55.864   -266.8826  129.049  -76.5424   61.971   ?       ?       10.477  5.2784  0.000000       5.278361 
1 1 1 -27 -29 31 o 13.828  6.5696  37.489     59.838   96.885     160.844  27.948     64.465   ?       ?       13.493  6.5160  0.000000       6.515996 
1 1 1 -27 -29 32 o 12.235  6.0743  -17.9284   69.227   83.721     161.183  -40.9200   76.657   ?       ?       12.009  6.0266  0.000000       6.026649 
1 1 1 -27 -29 33 o 14.677  7.0812  61.149     75.698   40.588     160.722  67.011     85.812   ?       ?       14.739  7.2083  0.000000       7.208259 
1 1 1 -27 -29 34 o 12.767  6.3237  -2.7951    73.370   33.654     168.239  -11.3555   81.532   ?       ?       12.792  6.3891  0.000000       6.389114 
1 1 1 -27 -29 35 o 15.835  7.3795  85.506     69.319   28.611     164.023  97.878     76.485   ?       ?       16.047  7.5646  0.000000       7.564629 
1 1 1 -27 -29 36 f 10.852  5.4372  -57.8816   61.172   -65.2614   144.581  -56.2725   67.512   ?       ?       11.272  5.6565  0.000000       5.656515 
1 1 1 -27 -29 37 o 10.141  5.1060  -77.9203   57.509   -207.2553  132.379  -47.8334   63.848   ?       ?       11.262  5.6294  0.000000       5.629405 
1 1 1 -27 -29 38 o ?       ?       -218.0649  117.493  -56.5300   365.434  -236.6884  124.081  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 39 f ?       ?       -93.0061   120.672  -272.6851  304.795  -59.6070   131.410  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -29 40 o 16.320  8.1202  175.736    126.476  -8.7460    311.598  212.125    138.389  ?       ?       16.545  8.2727  0.000000       8.272699 
1 1 1 -27 -29 41 o 14.824  6.9788  58.454     64.687   -131.2500  155.467  98.173     71.137   ?       ?       16.438  7.5967  0.000000       7.596660 
1 1 1 -27 -29 42 o 16.560  7.5705  97.399     68.030   -52.9208   162.319  129.430    74.928   ?       ?       17.685  8.0304  0.000000       8.030375 
1 1 1 -27 -29 43 o 12.561  6.1433  1.7546     62.351   204.473    157.715  -35.7983   67.881   15.810  8.0134  11.754  5.8646  4.055574       9.930178 
1 1 1 -27 -29 44 o 14.462  6.8784  53.644     65.951   10.265     163.085  62.125     72.111   ?       ?       14.713  7.0508  0.000000       7.050806 
1 1 1 -27 -29 45 o 9.5219  4.8249  -102.8156  56.894   -117.5046  141.224  -99.9698   62.161   ?       ?       9.9844  5.0576  0.000000       5.057566 
1 1 1 -27 -29 46 o 13.090  6.3736  22.134     64.991   30.302     154.937  20.390     71.594   ?       ?       13.144  6.4599  0.000000       6.459877 
1 1 1 -27 -29 47 o 14.752  7.0252  72.096     69.226   -102.6189  195.304  97.201     74.032   ?       ?       15.571  7.3711  0.000000       7.371060 
1 1 1 -27 -29 48 o 11.487  5.8082  -53.8820   79.467   -201.9120  189.723  -22.3852   87.514   ?       ?       12.254  6.1855  0.000000       6.185459 
1 1 1 -27 -29 49 o 17.958  8.5728  256.348    104.424  389.867    206.071  210.217    121.127  ?       ?       15.648  7.8113  0.000000       7.811290 
1 1 1 -27 -28 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -28 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -28 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -28 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -28 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -28 10 o 14.140  6.1158  40.835     38.520   0.0000     0.0000   40.835     38.520   ?       ?       14.140  6.1158  0.000000       6.115781 
1 1 1 -27 -28 11 o 11.234  5.4831  -18.0994   48.951   0.0000     0.0000   -18.0994   48.951   ?       ?       11.234  5.4831  0.000000       5.483079 
1 1 1 -27 -28 12 o 8.1229  3.8316  -10.6935   19.676   0.0000     0.0000   -10.6935   19.676   ?       ?       8.1229  3.8316  0.000000       3.831556 
1 1 1 -27 -28 13 f 13.559  5.0132  31.752     21.839   0.0000     0.0000   31.752     21.839   ?       ?       13.559  5.0132  0.000000       5.013227 
1 1 1 -27 -28 14 o ?       ?       -606.9455  13.703   0.0000     0.0000   -606.9455  13.703   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -28 15 o 9.3271  4.6792  -70.7884   46.040   0.0000     0.0000   -70.7884   46.040   ?       ?       9.3271  4.6792  0.000000       4.679199 
1 1 1 -27 -28 16 o 15.990  7.2489  77.061     60.743   0.0000     0.0000   77.061     60.743   ?       ?       15.990  7.2489  0.000000       7.248865 
1 1 1 -27 -28 17 o 13.453  6.5045  22.677     64.701   61.189     129.636  9.9022     74.665   14.601  7.3862  13.266  6.5349  1.335296       9.862122 
1 1 1 -27 -28 18 o 13.984  6.7260  36.620     67.003   91.818     135.259  18.670     77.132   14.958  7.5644  13.543  6.6656  1.415009       10.08217 
1 1 1 -27 -28 19 o 17.510  7.6204  101.105    60.544   44.755     114.775  122.829    71.265   14.357  7.2263  17.812  7.9819  -3.455393      10.76710 
1 1 1 -27 -28 20 o 10.532  5.2582  -55.1567   54.945   16.588     104.629  -82.4754   64.564   13.846  6.9605  10.610  5.3502  3.236917       8.779142 
1 1 1 -27 -28 21 o 24.924  9.2640  229.304    74.768   459.672    169.806  173.898    83.276   18.970  9.4339  19.236  8.6237  -0.2659531     12.78150 
1 1 1 -27 -28 22 o 21.127  10.135  471.852    149.827  1070.72    348.892  336.439    165.904  ?       ?       17.412  8.7543  0.000000       8.754306 
1 1 1 -27 -28 23 o 16.012  8.0588  176.610    142.622  395.298    341.361  130.363    156.979  ?       ?       15.241  7.7519  0.000000       7.751863 
1 1 1 -27 -28 24 o 12.319  6.1760  -37.2227   79.499   356.397    340.614  -59.9006   81.757   ?       ?       11.978  6.0379  0.000000       6.037934 
1 1 1 -27 -28 25 o 18.641  8.2691  142.422    74.495   130.162    156.822  145.994    84.657   15.261  7.7606  17.812  8.2509  -2.550679      11.32715 
1 1 1 -27 -28 26 f 16.649  7.7423  105.290    75.650   8.5676     148.659  139.090    87.879   ?       ?       17.295  8.1397  0.000000       8.139696 
1 1 1 -27 -28 27 o 12.373  6.0310  -2.8802    58.646   134.304    131.792  -36.7520   65.487   15.647  7.8587  11.713  5.8302  3.934110       9.785231 
1 1 1 -27 -28 28 o 13.367  6.4664  19.863     64.165   178.905    138.399  -23.6834   72.419   16.187  8.1195  12.357  6.1478  3.829624       10.18440 
1 1 1 -27 -28 29 o 14.626  6.8875  51.185     63.086   171.928    152.181  26.130     69.323   15.805  7.9961  13.681  6.6432  2.124292       10.39567 
1 1 1 -27 -28 30 f 12.001  5.8221  -5.3326    52.920   -150.7579  134.388  21.356     57.572   ?       ?       13.269  6.3429  0.000000       6.342945 
1 1 1 -27 -28 31 o 16.236  7.3278  81.183     61.287   -120.5960  151.800  120.478    66.989   ?       ?       18.184  7.9621  0.000000       7.962069 
1 1 1 -27 -28 32 o 13.565  6.6420  20.374     73.530   1.0252     158.727  25.660     82.970   ?       ?       13.844  6.8327  0.000000       6.832746 
1 1 1 -27 -28 33 o 14.212  6.9059  40.951     75.280   35.955     168.141  42.203     84.189   ?       ?       14.278  7.0148  0.000000       7.014766 
1 1 1 -27 -28 34 o 18.284  8.5515  177.691    94.435   233.449    183.300  157.543    110.183  ?       ?       16.686  8.1620  0.000000       8.162023 
1 1 1 -27 -28 35 o 11.576  5.7729  -42.2324   65.484   115.955    147.144  -81.2987   73.124   15.206  7.7110  11.180  5.6448  4.026203       9.556289 
1 1 1 -27 -28 36 o 18.706  8.0384  125.915    65.697   -32.5970   157.625  159.240    72.273   ?       ?       20.038  8.5159  0.000000       8.515861 
1 1 1 -27 -28 37 o 12.820  6.2190  7.5573     60.362   -60.6276   149.260  20.889     66.000   ?       ?       13.449  6.5191  0.000000       6.519075 
1 1 1 -27 -28 38 o 15.337  7.1261  65.973     63.874   58.983     156.141  67.377     69.999   ?       ?       15.254  7.2049  0.000000       7.204887 
1 1 1 -27 -28 39 o 11.901  6.0291  -83.7256   88.470   -16.8777   283.944  -90.9128   93.104   ?       ?       11.979  6.0806  0.000000       6.080583 
1 1 1 -27 -28 40 o 12.784  6.4590  -46.0133   96.669   -457.3586  290.149  5.3489     102.527  ?       ?       13.746  6.9073  0.000000       6.907257 
1 1 1 -27 -28 41 o 22.823  8.9702  194.463    72.711   287.327    174.691  175.004    79.967   16.768  8.4923  20.027  8.7358  -3.258604      12.18334 
1 1 1 -27 -28 42 o 11.603  5.7467  -32.3971   60.539   32.952     158.574  -43.5466   65.500   ?       ?       11.598  5.7826  0.000000       5.782581 
1 1 1 -27 -28 43 o 11.986  5.9110  -20.9160   61.682   30.759     154.691  -30.6853   67.260   ?       ?       12.000  5.9625  0.000000       5.962457 
1 1 1 -27 -28 44 o 11.986  5.9062  -18.9912   61.135   -177.1623  151.471  11.789     66.819   ?       ?       13.173  6.4244  0.000000       6.424395 
1 1 1 -27 -28 45 o 14.079  6.7438  39.521     65.811   165.312    152.467  10.718     72.957   15.641  7.9225  13.231  6.5064  2.409533       10.25178 
1 1 1 -27 -28 46 o 13.924  6.6787  38.036     65.033   -52.0486   149.568  59.037     72.216   ?       ?       14.691  7.0443  0.000000       7.044306 
1 1 1 -27 -28 47 o 16.089  7.4827  95.453     70.693   17.923     187.359  108.322    76.335   ?       ?       16.342  7.6576  0.000000       7.657589 
1 1 1 -27 -28 48 o ?       ?       -149.7555  70.591   -335.1214  164.542  -107.9424  78.148   ?       ?       10.774  5.4787  0.000000       5.478696 
1 1 1 -27 -28 49 o 14.440  7.1527  81.759     93.955   271.608    189.734  20.082     108.145  ?       ?       13.302  6.7309  0.000000       6.730860 
1 1 1 -27 -28 50 f 16.784  7.6981  129.372    71.148   51.211     155.329  150.124    80.038   ?       ?       16.857  7.8804  0.000000       7.880438 
1 1 1 -27 -27 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -27 10 o 24.032  7.0368  127.740    43.661   0.0000     0.0000   127.740    43.661   ?       ?       24.032  7.0368  0.000000       7.036834 
1 1 1 -27 -27 11 f 37.161  12.784  725.643    139.487  0.0000     0.0000   725.643    139.487  ?       ?       37.161  12.784  0.000000       12.78432 
1 1 1 -27 -27 12 o 13.868  6.2308  34.602     43.731   0.0000     0.0000   34.602     43.731   ?       ?       13.868  6.2308  0.000000       6.230835 
1 1 1 -27 -27 13 o ?       ?       -335.5040  10.095   0.0000     0.0000   -335.5040  10.095   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -27 14 o 54.621  6.7119  593.282    87.082   0.0000     0.0000   593.282    87.082   ?       ?       54.621  6.7119  0.000000       6.711891 
1 1 1 -27 -27 15 o 19.829  8.1283  131.371    62.436   0.0000     0.0000   131.371    62.436   ?       ?       19.829  8.1283  0.000000       8.128284 
1 1 1 -27 -27 16 o 10.992  5.3709  -23.5651   47.327   -55.2613   100.664  -14.5709   53.623   12.809  6.4825  11.774  5.7451  1.034461       8.661933 
1 1 1 -27 -27 17 o 12.565  6.1464  -4.8234    62.494   -145.1826  120.253  47.111     73.148   ?       ?       14.555  7.0072  0.000000       7.007219 
1 1 1 -27 -27 18 f 20.749  8.8938  185.426    80.060   324.041    146.133  125.979    95.699   18.620  9.1663  16.652  8.0164  1.967224       12.17716 
1 1 1 -27 -27 19 o 12.042  5.8664  -10.0782   55.269   -14.5142   108.953  -8.5412    64.133   13.603  6.8707  12.529  6.1488  1.074058       9.220375 
1 1 1 -27 -27 20 o 12.321  6.0265  -9.5119    60.056   -130.4110  131.348  22.443     67.528   ?       ?       13.664  6.6160  0.000000       6.616039 
1 1 1 -27 -27 21 o 11.553  5.7106  -31.9333   58.729   -10.9844   145.433  -36.0151   64.196   ?       ?       11.766  5.8427  0.000000       5.842749 
1 1 1 -27 -27 22 o 12.525  6.2861  -41.7779   83.474   68.322     137.189  -106.5018  105.186  14.949  7.5661  ?       ?       0.000000       7.566096 
1 1 1 -27 -27 23 o 13.736  6.9446  -13.6640   113.390  203.917    323.005  -44.2463   121.097  ?       ?       13.467  6.8452  0.000000       6.845226 
1 1 1 -27 -27 24 o ?       ?       -105.7965  130.541  149.743    310.871  -160.5034  143.838  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -27 25 o 13.045  6.3774  2.8048     67.000   -120.9226  128.502  48.998     78.517   ?       ?       14.708  7.1246  0.000000       7.124613 
1 1 1 -27 -27 26 o 17.078  7.5967  92.433     63.296   20.089     134.955  112.834    71.667   14.409  7.3148  17.639  7.9460  -3.229405      10.80025 
1 1 1 -27 -27 27 o 11.491  5.6836  -34.6370   58.526   -73.6057   129.877  -24.7077   65.559   ?       ?       12.177  6.0217  0.000000       6.021740 
1 1 1 -27 -27 28 o 12.592  6.0512  4.4980     53.947   138.757    133.735  -21.5951   58.957   16.027  8.0312  11.913  5.8565  4.113729       9.939786 
1 1 1 -27 -27 29 o 13.333  6.3809  18.033     58.624   188.986    149.514  -13.0234   63.727   16.436  8.2698  12.427  6.1050  4.009103       10.27911 
1 1 1 -27 -27 30 o 15.061  6.9305  54.335     58.307   59.156     153.013  53.516     63.065   ?       ?       14.958  6.9935  0.000000       6.993509 
1 1 1 -27 -27 31 o 10.037  4.9907  -53.2182   47.440   -210.4025  141.805  -33.4091   50.340   ?       ?       10.927  5.3793  0.000000       5.379317 
1 1 1 -27 -27 32 o 15.541  7.4939  76.860     84.486   202.443    151.843  20.548     101.679  16.537  8.3221  14.149  7.0771  2.387897       10.92446 
1 1 1 -27 -27 33 o 13.051  6.5344  -22.4453   87.637   -151.4236  155.237  37.889     106.174  ?       ?       14.494  7.2470  0.000000       7.247029 
1 1 1 -27 -27 34 o 12.125  6.1163  -66.5860   84.729   37.555     146.547  -118.8784  103.845  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -27 35 o 20.414  8.6916  167.142    75.536   69.078     158.737  195.848    85.883   ?       ?       20.549  9.0058  0.000000       9.005820 
1 1 1 -27 -27 36 o 29.093  9.1593  255.248    72.153   493.168    150.821  184.635    82.165   22.277  10.538  20.453  8.8891  1.824389       13.78670 
1 1 1 -27 -27 37 o 11.731  5.7554  -20.9164   56.037   -199.9016  145.909  10.051     60.691   ?       ?       13.049  6.3068  0.000000       6.306788 
1 1 1 -27 -27 38 o 16.933  7.6222  93.755     65.801   20.411     157.863  109.177    72.389   ?       ?       17.328  7.8777  0.000000       7.877748 
1 1 1 -27 -27 39 o 19.720  9.3426  274.549    119.366  324.811    307.649  265.642    129.512  ?       ?       18.616  9.0489  0.000000       9.048901 
1 1 1 -27 -27 40 o ?       ?       -141.2751  85.724   -16.8028   261.783  -156.2254  90.726   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -27 41 o 11.861  5.8807  -33.4832   64.036   -104.8385  149.321  -17.4028   70.886   ?       ?       12.622  6.2451  0.000000       6.245096 
1 1 1 -27 -27 42 o 35.691  9.5620  367.563    84.477   93.923     172.120  454.397    96.959   ?       ?       37.977  10.273  0.000000       10.27347 
1 1 1 -27 -27 43 o 13.657  6.5899  20.784     65.626   75.075     153.748  8.6888     72.569   15.093  7.6757  13.433  6.5819  1.659653       10.11128 
1 1 1 -27 -27 44 o 14.205  6.8123  35.183     67.602   152.732    150.348  5.3951     75.684   15.973  8.0683  13.401  6.5973  2.571828       10.42212 
1 1 1 -27 -27 45 o 13.965  6.7142  30.512     66.597   216.683    174.783  -1.1065    72.030   16.203  8.2350  13.072  6.4352  3.131253       10.45116 
1 1 1 -27 -27 46 f 14.240  6.8069  39.715     66.292   132.086    146.279  15.841     74.367   15.567  7.8718  13.546  6.6425  2.020765       10.29991 
1 1 1 -27 -27 47 o 16.162  7.4706  87.257     68.849   -109.7954  151.902  138.205    77.238   ?       ?       18.124  8.1989  0.000000       8.198853 
1 1 1 -27 -27 48 o 13.522  6.7305  15.915     87.218   -47.1728   182.985  34.461     99.213   ?       ?       14.007  7.0037  0.000000       7.003654 
1 1 1 -27 -27 49 o 13.267  6.6365  10.848     89.498   174.030    184.857  -39.1118   102.284  ?       ?       12.679  6.4291  0.000000       6.429091 
1 1 1 -27 -27 50 o 14.525  6.9435  65.777     68.989   67.852     154.481  65.260     77.104   ?       ?       14.357  6.9793  0.000000       6.979345 
1 1 1 -27 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -26 10 o 7.7967  3.9118  -65.4046   32.212   0.0000     0.0000   -65.4046   32.212   ?       ?       7.7967  3.9118  0.000000       3.911792 
1 1 1 -27 -26 11 o 11.083  5.5674  -74.0384   66.309   0.0000     0.0000   -74.0384   66.309   ?       ?       11.083  5.5674  0.000000       5.567410 
1 1 1 -27 -26 12 o 24.259  8.2704  163.695    58.349   0.0000     0.0000   163.695    58.349   ?       ?       24.259  8.2704  0.000000       8.270448 
1 1 1 -27 -26 13 o 33.948  8.1213  271.505    65.998   0.0000     0.0000   271.505    65.998   ?       ?       33.948  8.1213  0.000000       8.121283 
1 1 1 -27 -26 14 o ?       ?       -168.2628  27.685   -241.4481  77.480   -157.5514  29.641   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -26 15 o 20.998  7.9001  125.309    54.698   208.278    110.787  98.565     62.899   18.624  8.8740  17.608  7.7122  1.016388       11.75696 
1 1 1 -27 -26 16 o 12.731  6.0301  10.821     49.667   -42.3223   102.437  27.153     56.789   13.199  6.6663  13.758  6.4958  -0.5589905     9.307746 
1 1 1 -27 -26 17 o 15.608  7.2893  66.570     68.212   192.299    126.412  14.924     81.019   17.386  8.5526  13.853  6.8210  3.532906       10.93953 
1 1 1 -27 -26 18 o 11.207  5.5927  -55.9300   61.885   -63.9702   133.588  -53.7331   69.829   ?       ?       11.754  5.8773  0.000000       5.877263 
1 1 1 -27 -26 19 o 11.665  5.7336  -26.9645   56.451   110.630    124.894  -62.2917   63.284   15.910  7.9405  11.158  5.5816  4.751144       9.705973 
1 1 1 -27 -26 20 f 14.884  6.9595  48.291     62.475   -59.9952   133.618  78.587     70.676   ?       ?       16.175  7.5090  0.000000       7.509009 
1 1 1 -27 -26 21 o 18.028  7.8943  106.293    65.871   112.876    143.818  104.546    74.101   15.798  7.9690  17.321  7.9116  -1.522972      11.22936 
1 1 1 -27 -26 22 o 14.208  7.0034  21.138     86.212   97.433     140.736  -24.6890   109.073  15.651  7.8934  13.734  6.9294  1.916677       10.50344 
1 1 1 -27 -26 23 o 15.149  7.5326  56.073     108.115  -58.0300   321.751  70.596     114.790  ?       ?       15.410  7.6786  0.000000       7.678618 
1 1 1 -27 -26 24 o 14.932  7.4574  43.449     110.980  -129.0587  332.455  65.083     117.734  ?       ?       15.322  7.6566  0.000000       7.656566 
1 1 1 -27 -26 25 o 12.594  6.1755  -14.1683   64.262   38.579     127.890  -31.9843   74.326   14.925  7.5268  12.580  6.2536  2.345324       9.785731 
1 1 1 -27 -26 26 o 15.048  6.8751  48.881     56.004   108.535    137.915  37.102     61.284   15.908  7.9959  14.451  6.7999  1.456848       10.49633 
1 1 1 -27 -26 27 o 18.969  7.6456  100.473    54.155   65.987     140.706  106.470    58.675   15.316  7.7427  18.911  7.8290  -3.595147      11.01098 
1 1 1 -27 -26 28 o 10.230  5.1026  -62.7673   51.233   85.613     136.593  -87.0593   55.268   15.587  7.8504  9.9988  5.0304  5.588072       9.323858 
1 1 1 -27 -26 29 o 12.166  5.9099  -11.8018   54.999   -10.7157   143.779  -11.9880   59.526   ?       ?       12.420  6.0588  0.000000       6.058808 
1 1 1 -27 -26 30 o 17.626  7.8475  100.935    67.697   74.438     148.613  107.873    76.046   15.372  7.7899  17.451  7.9876  -2.079962      11.15723 
1 1 1 -27 -26 31 o 17.054  7.6572  89.648     65.924   50.161     140.931  100.709    74.588   15.069  7.6312  17.161  7.8753  -2.092494      10.96612 
1 1 1 -27 -26 32 o 16.888  7.6635  89.313     68.103   118.026    145.073  81.197     77.130   15.883  8.0107  16.155  7.6099  -0.2723179     11.04912 
1 1 1 -27 -26 33 o 15.130  7.4259  56.697     93.590   186.795    165.956  -3.9732    113.330  16.408  8.3064  14.096  7.1060  2.312047       10.93126 
1 1 1 -27 -26 34 o 15.525  7.5825  72.713     94.040   168.125    159.948  22.307     116.257  16.259  8.2225  14.514  7.3011  1.744817       10.99614 
1 1 1 -27 -26 35 o 11.750  5.8208  -36.8675   62.255   -218.1075  132.648  14.331     70.502   ?       ?       13.650  6.6445  0.000000       6.644472 
1 1 1 -27 -26 36 o 10.227  5.1313  -75.8964   55.441   -222.9464  139.489  -48.3087   60.418   ?       ?       11.312  5.6259  0.000000       5.625949 
1 1 1 -27 -26 37 o 14.615  6.9083  43.084     64.581   -6.5388    145.067  55.349     72.122   ?       ?       15.108  7.1877  0.000000       7.187719 
1 1 1 -27 -26 38 o 16.499  7.4845  81.376     64.890   120.613    151.740  72.594     71.785   15.727  7.9593  15.824  7.4184  -0.9763050E-01 10.88045 
1 1 1 -27 -26 39 o 15.575  7.6965  82.375     106.427  -18.9198   290.943  98.023     114.352  ?       ?       15.805  7.8400  0.000000       7.840035 
1 1 1 -27 -26 40 o 14.460  7.1681  30.853     95.023   -307.7497  289.330  71.791     100.603  ?       ?       15.399  7.5856  0.000000       7.585647 
1 1 1 -27 -26 41 o 9.4360  4.7785  -111.9339  55.233   -73.2034   132.324  -120.1054  60.781   ?       ?       9.7794  4.9586  0.000000       4.958644 
1 1 1 -27 -26 42 o 17.663  7.8446  102.566    67.242   72.990     151.646  109.805    75.021   15.258  7.7466  17.513  7.9842  -2.254682      11.12458 
1 1 1 -27 -26 43 o 25.812  9.3830  228.459    76.013   -9.6223    164.899  292.699    85.656   ?       ?       28.459  10.005  0.000000       10.00518 
1 1 1 -27 -26 44 o 10.809  5.4165  -70.8975   60.804   -165.3669  153.644  -53.3550   66.209   ?       ?       11.599  5.7877  0.000000       5.787687 
1 1 1 -27 -26 45 o 10.995  5.4975  -63.5500   61.127   -22.1176   146.926  -72.2227   67.221   ?       ?       11.219  5.6318  0.000000       5.631780 
1 1 1 -27 -26 46 o 13.121  6.3773  5.1700     64.289   -34.4752   143.408  15.141     71.921   ?       ?       13.674  6.6680  0.000000       6.667960 
1 1 1 -27 -26 47 o 16.033  7.4081  77.249     67.607   -53.9867   142.864  115.119    76.744   ?       ?       17.411  7.9894  0.000000       7.989372 
1 1 1 -27 -26 48 o 17.683  8.4474  170.479    101.759  403.719    198.958  87.850     118.420  17.259  8.7730  15.230  7.6209  2.028687       11.62088 
1 1 1 -27 -26 49 o 17.517  8.3896  175.439    101.763  169.742    198.374  177.474    118.549  ?       ?       16.687  8.2227  0.000000       8.222736 
1 1 1 -27 -26 50 o 13.003  6.3674  13.808     67.600   141.205    152.633  -17.2792   75.398   15.027  7.6428  12.404  6.1873  2.623010       9.833382 
1 1 1 -27 -26 51 o 11.035  5.5330  -48.2505   63.914   -1.5021    137.529  -61.1284   72.182   ?       ?       11.193  5.6461  0.000000       5.646138 
1 1 1 -27 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -25 9  o 14.943  6.4170  45.147     41.816   0.0000     0.0000   45.147     41.816   ?       ?       14.943  6.4170  0.000000       6.416993 
1 1 1 -27 -25 10 o 14.765  6.2826  42.931     39.423   0.0000     0.0000   42.931     39.423   ?       ?       14.765  6.2826  0.000000       6.282564 
1 1 1 -27 -25 11 o 20.822  9.2256  206.801    92.454   0.0000     0.0000   206.801    92.454   ?       ?       20.822  9.2256  0.000000       9.225560 
1 1 1 -27 -25 12 o 9.0557  4.4708  -44.1785   35.623   0.0000     0.0000   -44.1785   35.623   ?       ?       9.0557  4.4708  0.000000       4.470814 
1 1 1 -27 -25 13 o 18.116  7.5004  90.975     53.858   76.758     116.603  94.831     60.723   15.519  7.7339  17.764  7.6810  -2.244267      10.90003 
1 1 1 -27 -25 14 o 12.921  6.0029  16.205     45.298   110.142    98.585   -8.9349    51.001   16.602  8.0275  12.021  5.8028  4.580882       9.905179 
1 1 1 -27 -25 15 o 16.685  7.0892  69.638     50.065   152.221    103.151  44.189     57.262   17.729  8.4792  14.788  6.8276  2.940164       10.88637 
1 1 1 -27 -25 16 o 17.018  7.3000  76.706     54.010   -121.1752  107.860  142.926    62.396   ?       ?       21.550  8.3548  0.000000       8.354769 
1 1 1 -27 -25 17 o 18.232  8.1987  120.222    75.900   59.230     150.924  140.869    87.812   15.310  7.7680  18.341  8.4632  -3.031053      11.48773 
1 1 1 -27 -25 18 o 17.138  8.0771  109.085    87.098   0.0000     0.0000   109.085    87.098   ?       ?       17.138  8.0771  0.000000       8.077124 
1 1 1 -27 -25 19 o 16.673  7.3612  73.587     58.355   130.235    129.508  59.156     65.367   16.586  8.2467  15.643  7.2477  0.9428282      10.97896 
1 1 1 -27 -25 20 o 16.444  7.4260  72.331     63.044   -21.7297   125.524  104.062    72.906   14.287  7.2314  17.737  8.0001  -3.450390      10.78399 
1 1 1 -27 -25 21 o 13.241  6.3720  5.4084     60.342   116.847    134.983  -22.4225   67.457   16.370  8.1830  12.647  6.2263  3.722892       10.28241 
1 1 1 -27 -25 22 o 13.570  6.7032  -8.9699    80.487   27.626     119.096  -39.7362   109.199  14.996  7.5233  13.775  6.9480  1.220327       10.24086 
1 1 1 -27 -25 23 o 15.501  7.7150  55.825     114.545  187.946    322.709  36.780     122.522  ?       ?       15.191  7.6226  0.000000       7.622602 
1 1 1 -27 -25 24 o 13.664  6.9047  -52.2727   110.795  159.597    324.246  -80.2807   117.891  ?       ?       13.474  6.8398  0.000000       6.839752 
1 1 1 -27 -25 25 o 12.850  6.1817  -1.3393    56.665   -61.2741   133.210  11.902     62.613   14.052  7.1464  13.645  6.5471  0.4072895      9.692009 
1 1 1 -27 -25 26 o 21.037  8.3679  135.171    63.983   161.747    144.780  128.721    71.326   17.069  8.5237  19.545  8.3867  -2.476398      11.95787 
1 1 1 -27 -25 27 o 14.009  6.6143  23.266     58.892   112.741    141.050  4.3739     64.812   16.360  8.2051  13.448  6.5041  2.911702       10.47025 
1 1 1 -27 -25 28 o 13.971  6.6856  18.872     64.318   -7.5995    142.011  25.704     72.142   14.776  7.5011  14.418  6.9456  0.3575525      10.22291 
1 1 1 -27 -25 29 o 14.020  6.6929  20.852     63.638   -8.1722    132.062  29.630     72.626   14.646  7.4136  14.553  7.0002  0.9284687E-01  10.19629 
1 1 1 -27 -25 30 o 12.250  5.9916  -21.2820   59.341   -37.7941   127.491  -16.7155   67.046   14.187  7.1923  12.823  6.2918  1.364161       9.555895 
1 1 1 -27 -25 31 o 10.707  5.3682  -78.2798   60.135   -162.1386  127.117  -54.1020   68.255   ?       ?       11.864  5.9131  0.000000       5.913114 
1 1 1 -27 -25 32 o 16.091  7.4191  67.637     67.274   92.234     141.920  60.508     76.404   15.919  8.0157  15.646  7.4305  0.2726212      10.92995 
1 1 1 -27 -25 33 o 15.786  7.6800  70.266     93.848   -37.2809   157.037  130.015    117.049  ?       ?       16.886  8.2909  0.000000       8.290944 
1 1 1 -27 -25 34 o 12.581  6.3334  -66.3847   88.361   -29.2669   149.301  -86.3942   109.620  ?       ?       13.041  6.6173  0.000000       6.617311 
1 1 1 -27 -25 35 o 11.777  5.8686  -51.9781   67.136   47.482     154.685  -75.0621   74.521   15.225  7.7390  11.710  5.8852  3.514920       9.722483 
1 1 1 -27 -25 36 o 16.162  7.3678  69.964     63.868   24.907     141.158  81.563     71.618   14.899  7.5550  16.505  7.6257  -1.605935      10.73446 
1 1 1 -27 -25 37 o 16.712  7.5444  80.945     65.004   165.216    146.102  60.145     72.584   16.697  8.3711  15.504  7.3272  1.193172       11.12488 
1 1 1 -27 -25 38 o 14.242  6.7128  32.246     60.175   -88.8039   137.043  61.160     66.978   ?       ?       15.603  7.2654  0.000000       7.265427 
1 1 1 -27 -25 39 o 13.305  6.6831  -34.9892   95.468   400.859    282.801  -91.0472   101.422  ?       ?       12.622  6.4006  0.000000       6.400635 
1 1 1 -27 -25 40 o 16.351  8.0371  109.923    110.914  316.721    293.384  75.439     119.805  ?       ?       15.549  7.7630  0.000000       7.762990 
1 1 1 -27 -25 41 o 23.835  9.1377  197.679    74.032   12.713     156.113  251.344    84.089   ?       ?       25.678  9.7637  0.000000       9.763723 
1 1 1 -27 -25 42 o 16.858  7.6426  85.710     67.530   -64.7633   150.830  123.435    75.522   ?       ?       18.415  8.2369  0.000000       8.236917 
1 1 1 -27 -25 43 o 15.581  7.2681  59.742     67.492   249.406    155.098  15.438     74.961   17.802  8.8793  13.964  6.8090  3.838556       11.18951 
1 1 1 -27 -25 44 o 24.385  10.217  292.343    101.644  281.153    165.960  299.060    128.581  17.951  8.9881  20.590  9.7375  -2.639557      13.25159 
1 1 1 -27 -25 45 o 15.535  7.2740  58.769     68.664   254.592    156.938  12.408     76.361   17.840  8.9036  13.916  6.8044  3.924248       11.20601 
1 1 1 -27 -25 46 o 15.415  7.2241  56.981     67.969   76.352     153.806  52.280     75.769   15.479  7.8528  15.180  7.2620  0.2992296      10.69595 
1 1 1 -27 -25 47 o 12.290  6.0570  -23.9610   64.420   -121.4382  157.472  -4.3690    70.598   ?       ?       13.142  6.4499  0.000000       6.449937 
1 1 1 -27 -25 48 o 16.895  8.1828  133.567    103.486  162.749    226.687  125.884    116.313  ?       ?       16.325  8.0633  0.000000       8.063276 
1 1 1 -27 -25 49 o 13.582  6.7801  0.5449     91.237   -172.9215  219.420  36.807     100.321  ?       ?       14.425  7.1860  0.000000       7.186007 
1 1 1 -27 -25 50 o 13.338  6.5120  16.395     69.179   270.721    224.151  -10.3803   72.730   ?       ?       12.679  6.2828  0.000000       6.282850 
1 1 1 -27 -25 51 o 12.833  6.3263  5.3407     70.432   78.875     174.157  -9.0376    77.011   ?       ?       12.648  6.3001  0.000000       6.300141 
1 1 1 -27 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -24 9  o 12.058  5.2353  17.024     28.445   0.0000     0.0000   17.024     28.445   ?       ?       12.058  5.2353  0.000000       5.235331 
1 1 1 -27 -24 10 o ?       ?       -148.7906  8.4985   0.0000     0.0000   -148.7906  8.4985   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -24 11 o 26.368  10.597  330.717    103.696  0.0000     0.0000   330.717    103.696  ?       ?       26.368  10.597  0.000000       10.59668 
1 1 1 -27 -24 12 o 12.514  5.8264  9.7976     43.045   -51.0890   95.259   25.420     48.252   13.117  6.6000  13.690  6.3016  -0.5732765     9.125207 
1 1 1 -27 -24 13 o 8.4596  4.2748  -96.2483   42.507   -173.5728  95.187   -76.9877   47.506   ?       ?       9.5255  4.7752  0.000000       4.775220 
1 1 1 -27 -24 14 o 15.243  6.6611  47.709     46.686   -138.5688  100.831  98.539     52.671   ?       ?       19.259  7.6138  0.000000       7.613766 
1 1 1 -27 -24 15 o 15.118  6.6845  45.730     48.297   171.715    99.854   7.2543     55.182   19.063  8.8750  13.113  6.2522  5.950397       10.85616 
1 1 1 -27 -24 16 o 18.909  7.6798  96.694     55.089   308.789    118.984  38.823     62.152   22.633  10.213  14.809  6.9299  7.823859       12.34236 
1 1 1 -27 -24 17 o 15.911  7.4355  61.663     71.153   89.550     157.166  54.473     79.799   16.022  8.1077  15.572  7.4504  0.4495974      11.01101 
1 1 1 -27 -24 18 o ?       ?       -164.2098  56.631   -76.6227   127.192  -185.8656  63.245   13.851  7.0383  ?       ?       0.000000       7.038291 
1 1 1 -27 -24 19 o 22.566  8.4994  147.727    63.346   249.533    130.620  116.421    72.433   19.771  9.4786  18.885  8.2737  0.8865280      12.58164 
1 1 1 -27 -24 20 o 14.992  6.9415  39.580     59.821   -8.9851    121.880  54.992     68.661   14.732  7.4194  15.780  7.3506  -1.047349      10.44407 
1 1 1 -27 -24 21 o 14.909  6.8913  37.656     58.579   127.966    105.192  -2.9386    70.526   17.753  8.5098  13.606  6.6279  4.147147       10.78638 
1 1 1 -27 -24 22 f 16.882  8.0116  86.232     88.521   35.914     128.962  131.063    121.726  15.574  7.8155  17.420  8.5331  -1.846160      11.57139 
1 1 1 -27 -24 23 o 14.239  7.1399  -26.9979   106.560  23.066     316.497  -33.3987   113.167  ?       ?       14.291  7.1911  0.000000       7.191092 
1 1 1 -27 -24 24 o 12.884  6.5309  -111.9123  104.869  -162.5406  318.965  -105.7762  111.043  ?       ?       13.200  6.6940  0.000000       6.694028 
1 1 1 -27 -24 25 o 16.911  7.5574  71.925     63.421   118.209    140.391  60.057     71.088   16.940  8.4490  16.137  7.5046  0.8029995      11.30063 
1 1 1 -27 -24 26 o 19.084  8.1372  107.571    66.383   133.065    145.099  100.823    74.654   17.123  8.5483  18.087  8.1325  -0.9636612     11.79878 
1 1 1 -27 -24 27 o 12.529  6.1700  -33.1035   66.392   125.090    131.178  -87.5816   76.980   17.183  8.5011  11.893  5.9773  5.290954       10.39209 
1 1 1 -27 -24 28 o 15.121  7.1760  37.167     71.011   0.4344     136.773  50.722     83.086   15.171  7.6665  15.718  7.5419  -0.5471935     10.75434 
1 1 1 -27 -24 29 o 15.097  7.1879  36.690     72.398   -101.1419  133.435  94.193     86.187   ?       ?       17.252  8.1007  0.000000       8.100725 
1 1 1 -27 -24 30 f 14.990  7.1742  33.991     74.134   -82.6739   141.965  77.732     86.927   ?       ?       16.573  7.8869  0.000000       7.886854 
1 1 1 -27 -24 31 o 17.143  7.7942  82.922     70.879   -53.7600   138.898  131.047    82.418   14.449  7.3432  19.011  8.5468  -4.562316      11.26811 
1 1 1 -27 -24 32 o 25.476  9.3559  209.551    75.851   298.533    152.245  180.171    87.482   19.616  9.5948  21.114  9.1743  -1.498009      13.27505 
1 1 1 -27 -24 33 o 15.248  7.5367  36.849     102.273  164.713    205.981  -4.9876    117.823  ?       ?       14.656  7.3696  0.000000       7.369632 
1 1 1 -27 -24 34 o 16.246  7.9543  81.761     105.396  -40.5373   211.380  122.226    121.589  ?       ?       16.930  8.3397  0.000000       8.339682 
1 1 1 -27 -24 35 o 19.746  8.5834  139.996    76.633   243.377    170.108  113.672    85.837   17.720  8.9035  17.711  8.2399  0.8480072E-02  12.13128 
1 1 1 -27 -24 36 o 9.0875  4.5993  -112.2062  50.691   -222.2295  128.508  -91.9323   55.164   ?       ?       9.9778  5.0206  0.000000       5.020644 
1 1 1 -27 -24 37 o 14.375  6.7871  30.557     62.010   -201.0760  133.217  94.628     70.064   ?       ?       17.476  7.8661  0.000000       7.866130 
1 1 1 -27 -24 38 o 11.444  5.6515  -41.2045   57.088   -18.4271   131.593  -46.4850   63.360   14.455  7.3259  11.739  5.8253  2.715552       9.359587 
1 1 1 -27 -24 39 o 13.146  6.5954  -44.5424   91.549   -30.9480   277.481  -46.2029   96.979   ?       ?       13.297  6.6864  0.000000       6.686354 
1 1 1 -27 -24 40 o 19.069  9.0924  211.422    116.729  399.240    299.763  177.852    126.733  ?       ?       17.682  8.6708  0.000000       8.670753 
1 1 1 -27 -24 41 o 15.928  7.3952  65.129     68.574   100.157    153.913  56.453     76.596   15.934  8.0590  15.477  7.3755  0.4574347      10.92452 
1 1 1 -27 -24 42 o 14.245  6.8308  25.484     67.916   -2.3386    164.428  31.208     74.574   ?       ?       14.569  7.0288  0.000000       7.028822 
1 1 1 -27 -24 43 o 14.266  6.8285  25.975     67.204   69.134     168.836  17.849     73.258   ?       ?       14.114  6.8479  0.000000       6.847858 
1 1 1 -27 -24 44 o 11.681  5.9108  -109.8701  83.419   -70.5440   164.613  -123.4592  96.765   ?       ?       12.147  6.1692  0.000000       6.169189 
1 1 1 -27 -24 45 o 12.760  6.2709  -19.8651   67.432   -46.8097   171.455  -14.9347   73.343   ?       ?       13.172  6.4864  0.000000       6.486423 
1 1 1 -27 -24 46 o 12.947  6.3410  -12.5146   67.117   153.458    163.268  -46.2659   73.625   16.568  8.3725  12.367  6.1601  4.200752       10.39450 
1 1 1 -27 -24 47 o 21.157  8.8398  164.125    75.793   16.805     174.338  198.458    84.162   ?       ?       22.106  9.2810  0.000000       9.280968 
1 1 1 -27 -24 48 o 13.120  6.5826  -39.6588   91.167   -78.8087   214.524  -31.0298   100.714  ?       ?       13.552  6.8146  0.000000       6.814570 
1 1 1 -27 -24 49 o 13.671  6.8488  -11.7615   96.992   165.523    222.061  -53.5569   107.820  ?       ?       13.256  6.7088  0.000000       6.708788 
1 1 1 -27 -24 50 o 14.762  7.0938  50.546     74.128   61.731     211.377  48.978     79.155   ?       ?       14.702  7.1296  0.000000       7.129600 
1 1 1 -27 -24 51 o 16.100  7.5269  90.793     73.036   -23.6282   179.096  113.618    79.989   ?       ?       16.727  7.8383  0.000000       7.838301 
1 1 1 -27 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -23 9  o 19.821  6.7691  84.089     39.088   0.0000     0.0000   84.089     39.088   ?       ?       19.821  6.7691  0.000000       6.769092 
1 1 1 -27 -23 10 o ?       ?       -150.5244  24.530   0.0000     0.0000   -150.5244  24.530   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -23 11 o 17.490  8.1114  104.768    82.172   0.0000     0.0000   104.768    82.172   ?       ?       17.490  8.1114  0.000000       8.111402 
1 1 1 -27 -23 12 o 17.147  6.9017  66.240     44.061   7.8612     95.019   82.232     49.731   14.448  7.1633  18.227  7.3338  -3.779408      10.25170 
1 1 1 -27 -23 13 o 10.160  4.9897  -41.0144   42.456   -19.5473   86.609   -47.8045   48.709   13.663  6.7851  10.590  5.2283  3.073023       8.565816 
1 1 1 -27 -23 14 o 10.913  5.3178  -30.6093   45.518   -47.5517   92.151   -25.1414   52.351   13.324  6.6752  11.737  5.7158  1.587029       8.787987 
1 1 1 -27 -23 15 o 20.614  7.7878  108.459    53.279   63.706     116.584  120.272    59.900   15.996  7.9313  20.744  8.1453  -4.748509      11.36885 
1 1 1 -27 -23 16 o 16.861  7.2559  66.463     53.667   186.944    121.728  37.395     59.792   18.888  9.0802  14.972  6.9348  3.916772       11.42549 
1 1 1 -27 -23 17 o 22.426  9.2800  182.463    82.387   137.594    161.167  198.335    95.858   17.060  8.5838  21.509  9.4684  -4.449579      12.78013 
1 1 1 -27 -23 18 o 19.567  8.6019  129.320    78.884   259.818    153.287  82.311     92.001   19.361  9.5025  16.896  8.0604  2.465000       12.46064 
1 1 1 -27 -23 19 o 16.940  7.4190  67.070     58.196   -0.7946    112.652  91.774     67.967   15.022  7.5042  18.141  7.9797  -3.119456      10.95389 
1 1 1 -27 -23 20 o 17.581  7.6078  76.207     59.665   128.740    112.103  55.444     70.476   18.045  8.6843  16.154  7.4989  1.891134       11.47393 
1 1 1 -27 -23 21 o 16.472  7.3635  59.136     60.260   -63.3488   111.820  109.265    71.536   14.046  7.0778  19.157  8.3100  -5.111341      10.91566 
1 1 1 -27 -23 22 o 11.551  5.7955  -91.0328   70.747   -20.6480   110.918  -139.3065  91.858   14.758  7.3831  12.060  6.1129  2.697945       9.585263 
1 1 1 -27 -23 23 o 14.938  7.4287  -5.5747    105.265  -35.9509   253.317  0.7654     115.730  ?       ?       15.263  7.6219  0.000000       7.621851 
1 1 1 -27 -23 24 o 14.512  7.2679  -33.7439   108.821  -296.6717  307.309  3.9520     116.360  ?       ?       15.348  7.6607  0.000000       7.660744 
1 1 1 -27 -23 25 o 18.301  8.0475  91.625     69.082   17.143     140.821  115.230    79.277   15.860  7.9859  19.105  8.4999  -3.244413      11.66292 
1 1 1 -27 -23 26 o 15.406  7.2600  36.214     70.325   60.326     138.746  27.878     81.581   16.486  8.2492  15.302  7.3747  1.184501       11.06510 
1 1 1 -27 -23 27 o 13.967  6.7179  3.2287     66.852   -145.5297  128.230  58.753     78.341   ?       ?       16.398  7.7072  0.000000       7.707181 
1 1 1 -27 -23 28 o 14.718  7.1256  13.519     78.276   59.946     324.465  10.650     80.659   ?       ?       14.696  7.1428  0.000000       7.142838 
1 1 1 -27 -23 29 o 18.321  8.1304  96.066     72.088   112.127    133.891  89.509     85.546   17.315  8.5700  17.505  8.1712  -0.1902981     11.84118 
1 1 1 -27 -23 30 o 17.209  7.8722  77.725     73.727   -176.6341  141.545  172.428    86.368   ?       ?       21.592  9.2460  0.000000       9.245970 
1 1 1 -27 -23 31 o 12.953  6.3618  -27.8152   69.066   -61.9273   126.548  -13.3438   82.425   14.389  7.2807  13.973  6.8800  0.4152985      10.01717 
1 1 1 -27 -23 32 o 15.102  7.2847  28.954     80.025   104.464    201.149  14.755     87.225   ?       ?       14.820  7.2520  0.000000       7.252036 
1 1 1 -27 -23 33 o 18.527  8.8442  152.430    111.125  104.379    224.666  167.993    127.861  ?       ?       18.303  8.9179  0.000000       8.917879 
1 1 1 -27 -23 34 o 16.625  8.1210  84.812     107.995  83.067     211.649  85.426     125.572  ?       ?       16.496  8.1880  0.000000       8.188046 
1 1 1 -27 -23 35 o 14.038  6.8564  2.7922     76.895   -221.8391  162.956  67.138     87.215   ?       ?       16.225  7.7697  0.000000       7.769714 
1 1 1 -27 -23 36 o 15.093  7.1647  38.683     70.891   -8.4981    136.541  56.095     82.947   14.951  7.5649  15.800  7.5691  -0.8492556     10.70140 
1 1 1 -27 -23 37 o 11.292  5.6457  -71.7983   64.384   -181.0055  135.871  -40.1762   73.113   ?       ?       12.621  6.2618  0.000000       6.261816 
1 1 1 -27 -23 38 o 14.443  6.9259  24.853     69.852   127.433    152.062  -2.5819    78.640   16.615  8.3570  13.811  6.7842  2.803776       10.76403 
1 1 1 -27 -23 39 o 16.660  8.2853  116.733    131.034  -27.8764   291.991  153.199    146.628  ?       ?       17.020  8.5108  0.000000       8.510829 
1 1 1 -27 -23 40 o 16.373  8.1706  102.873    132.040  64.506     291.218  112.801    148.142  ?       ?       16.373  8.2372  0.000000       8.237159 
1 1 1 -27 -23 41 o 16.460  7.6803  75.944     75.449   259.628    168.577  29.933     84.371   17.993  9.0166  14.801  7.2186  3.192518       11.55022 
1 1 1 -27 -23 42 o 12.025  5.9790  -49.8133   68.111   89.813     157.326  -82.0192   75.559   16.011  8.1036  11.766  5.9149  4.245110       10.03261 
1 1 1 -27 -23 43 o 17.500  8.0601  100.905    79.106   46.670     176.362  114.564    88.509   ?       ?       17.667  8.2680  0.000000       8.267992 
1 1 1 -27 -23 44 o 17.586  8.0868  102.070    79.200   75.012     183.377  108.274    87.813   ?       ?       17.483  8.1989  0.000000       8.198886 
1 1 1 -27 -23 45 o 14.830  7.1464  31.727     76.544   -158.6961  175.646  76.368     85.044   ?       ?       16.400  7.8033  0.000000       7.803318 
1 1 1 -27 -23 46 o 10.276  5.1666  -91.3994   57.799   -406.0298  164.519  -47.0979   61.734   ?       ?       11.708  5.7993  0.000000       5.799280 
1 1 1 -27 -23 47 o 13.196  6.4520  -9.3437    68.622   207.942    166.685  -53.6861   75.299   17.384  8.7449  12.358  6.1676  5.026207       10.70102 
1 1 1 -27 -23 48 o 13.241  6.6029  -31.5396   85.626   -113.6268  217.191  -16.4330   93.172   ?       ?       13.795  6.8807  0.000000       6.880708 
1 1 1 -27 -23 49 o 17.291  8.3643  137.060    107.325  122.842    234.753  140.817    120.675  ?       ?       16.964  8.3470  0.000000       8.346965 
1 1 1 -27 -23 50 o 18.142  8.2200  125.675    77.986   -52.5216   235.428  147.638    82.652   ?       ?       18.857  8.5106  0.000000       8.510558 
1 1 1 -27 -23 51 o 14.799  7.0353  51.501     68.825   14.452     177.983  58.016     74.631   ?       ?       15.010  7.1876  0.000000       7.187648 
1 1 1 -27 -23 52 o 17.684  8.0778  132.492    77.260   209.350    185.391  116.339    84.992   ?       ?       16.473  7.8271  0.000000       7.827080 
1 1 1 -27 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -22 9  f 12.351  5.4506  15.902     31.962   0.0000     0.0000   15.902     31.962   ?       ?       12.351  5.4506  0.000000       5.450632 
1 1 1 -27 -22 10 o 16.199  7.2342  60.212     58.006   56.799     90.972   62.550     75.299   15.812  7.6620  16.081  7.5577  -0.2689629     10.76221 
1 1 1 -27 -22 11 o 9.8815  4.7634  -24.2903   34.075   99.196     161.752  -30.0249   34.857   16.420  8.3012  9.7078  4.7131  6.712481       9.545850 
1 1 1 -27 -22 12 o 19.857  7.3344  91.308     46.720   61.027     88.409   103.041    55.031   16.094  7.7372  19.942  7.8143  -3.848230      10.99671 
1 1 1 -27 -22 13 o 24.630  8.0649  146.177    55.570   180.066    104.262  132.730    65.676   19.927  9.2046  21.247  8.4695  -1.320040      12.50827 
1 1 1 -27 -22 14 o 11.661  5.6608  -26.1981   50.254   80.601     108.321  -55.4903   56.729   16.730  8.1637  11.244  5.5677  5.485322       9.881520 
1 1 1 -27 -22 15 o 14.340  6.5016  27.614     48.885   -92.3202   121.157  50.936     53.427   13.904  7.0449  15.978  7.0494  -2.073851      9.966136 
1 1 1 -27 -22 16 o 17.481  7.3570  69.563     53.092   189.055    114.262  36.661     59.957   20.043  9.3843  15.224  7.0136  4.819056       11.71567 
1 1 1 -27 -22 17 o 13.304  6.4985  -20.8255   69.098   137.513    138.799  -72.9972   79.673   17.930  8.8471  12.577  6.2869  5.352916       10.85339 
1 1 1 -27 -22 18 o 19.719  8.5615  118.753    76.071   103.875    133.436  125.916    92.592   17.449  8.6219  19.080  8.7627  -1.630575      12.29315 
1 1 1 -27 -22 19 o 13.088  6.2418  -5.4689    55.071   60.901     102.639  -32.2994   65.260   16.694  8.1009  12.786  6.2600  3.907768       10.23775 
1 1 1 -27 -22 20 o 16.305  7.1156  51.430     53.110   83.833     112.426  42.122     60.257   17.339  8.4286  15.747  7.1699  1.591983       11.06568 
1 1 1 -27 -22 21 o 12.799  6.0180  -1.3897    47.832   1.0650     113.137  -1.9240    52.781   15.526  7.7180  13.142  6.2221  2.384394       9.913724 
1 1 1 -27 -22 22 o 13.088  6.4699  -46.8087   75.457   82.544     194.260  -69.7935   81.887   17.185  8.7288  12.922  6.4463  4.262386       10.85114 
1 1 1 -27 -22 23 o 21.986  9.5655  181.579    95.348   -121.3792  217.004  254.061    106.143  ?       ?       24.676  10.394  0.000000       10.39450 
1 1 1 -27 -22 24 o 16.735  8.1150  55.745     102.502  106.423    199.917  37.672     119.389  17.449  8.8624  16.416  8.1193  1.033493       12.01935 
1 1 1 -27 -22 25 o 18.193  7.9171  80.979     65.348   85.591     125.849  79.276     76.465   17.438  8.5693  17.768  8.0850  -0.3298092     11.78135 
1 1 1 -27 -22 26 o 17.964  7.9397  79.040     68.073   85.229     131.887  76.792     79.478   17.388  8.5880  17.578  8.0896  -0.1892967     11.79809 
1 1 1 -27 -22 27 o 15.514  7.2690  33.058     68.756   -122.8198  133.653  89.157     80.179   14.250  7.2382  18.132  8.2616  -3.882282      10.98394 
1 1 1 -27 -22 28 o 16.794  7.9098  60.602     83.273   42.778     324.213  61.860     86.164   ?       ?       16.839  7.9657  0.000000       7.965659 
1 1 1 -27 -22 29 o 16.860  7.7312  62.153     71.695   122.139    135.732  38.940     84.435   17.967  8.8428  15.961  7.6436  2.006063       11.68849 
1 1 1 -27 -22 30 o 18.988  8.3628  103.827    74.869   73.547     135.445  117.151    89.843   16.969  8.4366  18.927  8.6698  -1.957619      12.09723 
1 1 1 -27 -22 31 o 14.536  7.0533  3.8644     77.764   126.604    151.221  -40.2627   90.672   17.683  8.8113  13.885  6.9033  3.797616       11.19352 
1 1 1 -27 -22 32 o 12.733  6.3206  -53.9336   74.874   -181.3279  155.163  -15.2641   85.486   ?       ?       14.221  7.0027  0.000000       7.002676 
1 1 1 -27 -22 33 o 18.720  8.8394  136.603    105.211  357.842    201.570  53.758     123.347  19.530  9.7970  16.338  8.1109  3.191988       12.71885 
1 1 1 -27 -22 34 o 19.100  8.7457  132.336    91.291   -11.4936   195.650  172.366    103.217  ?       ?       20.040  9.2213  0.000000       9.221265 
1 1 1 -27 -22 35 o 13.307  6.5272  -21.0524   71.959   55.577     143.434  -46.8263   83.185   16.213  8.1500  13.198  6.5699  3.014573       10.46832 
1 1 1 -27 -22 36 o 19.524  8.3994  118.916    71.873   28.738     163.451  140.532    80.025   15.852  8.0473  20.122  8.7591  -4.270611      11.89456 
1 1 1 -27 -22 37 o 18.296  8.2241  105.368    76.282   18.637     165.361  128.814    85.977   15.672  7.9695  18.903  8.5906  -3.230968      11.71801 
1 1 1 -27 -22 38 o 15.012  7.1662  33.661     72.954   66.038     163.679  25.635     81.496   16.086  8.1545  14.883  7.2213  1.202991       10.89236 
1 1 1 -27 -22 39 o 16.635  8.2831  102.249    132.610  -54.7559   284.101  145.985    149.947  ?       ?       17.129  8.5717  0.000000       8.571702 
1 1 1 -27 -22 40 o 18.900  9.1858  216.322    133.357  144.625    298.030  234.271    149.118  ?       ?       18.593  9.1737  0.000000       9.173664 
1 1 1 -27 -22 41 o 14.556  7.0332  22.481     75.350   132.068    174.144  -2.7622    83.579   16.599  8.4143  14.032  6.9124  2.567896       10.88949 
1 1 1 -27 -22 42 o 10.012  5.0891  -148.5438  66.858   -27.4278   156.001  -175.7951  73.998   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -22 43 o 15.523  7.4219  48.948     78.902   186.266    173.680  13.237     88.569   17.211  8.6908  14.567  7.1644  2.644103       11.26312 
1 1 1 -27 -22 44 o 14.875  7.4159  11.147     107.705  173.180    168.111  -101.6724  140.276  17.170  8.6554  ?       ?       0.000000       8.655393 
1 1 1 -27 -22 45 o 16.669  7.8318  77.232     80.770   262.620    176.030  27.792     90.904   18.236  9.1486  15.048  7.3719  3.187555       11.74913 
1 1 1 -27 -22 46 o 11.512  5.7245  -59.1968   62.465   -5.1587    161.889  -68.6492   67.708   ?       ?       11.660  5.8236  0.000000       5.823615 
1 1 1 -27 -22 47 o 15.147  7.2147  38.926     73.098   301.265    183.917  -10.2894   79.660   18.464  9.2749  13.737  6.7636  4.727015       11.47912 
1 1 1 -27 -22 48 f 13.446  6.7466  -46.7767   95.921   -21.8427   220.674  -52.5853   106.510  ?       ?       13.681  6.8957  0.000000       6.895744 
1 1 1 -27 -22 49 f 14.643  7.3019  11.895     104.658  346.010    232.230  -73.2568   117.238  ?       ?       13.574  6.8832  0.000000       6.883169 
1 1 1 -27 -22 50 o 11.591  5.7410  -43.1730   60.487   -588.1507  168.096  37.887     64.829   ?       ?       14.643  6.9218  0.000000       6.921759 
1 1 1 -27 -22 51 o 16.068  7.5430  78.726     74.659   110.353    180.226  72.174     82.029   ?       ?       15.659  7.5083  0.000000       7.508262 
1 1 1 -27 -22 52 o 13.701  6.6322  24.485     67.745   -272.6876  178.199  74.689     73.244   ?       ?       15.591  7.3657  0.000000       7.365724 
1 1 1 -27 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -21 8  o 12.511  5.6491  12.859     36.467   0.0000     0.0000   12.859     36.467   ?       ?       12.511  5.6491  0.000000       5.649139 
1 1 1 -27 -21 9  o 11.942  5.4026  8.3444     33.546   40.063     81.173   1.8117     36.839   15.437  7.4196  11.782  5.4526  3.654604       9.207647 
1 1 1 -27 -21 10 o 17.221  7.8197  78.637     71.053   45.645     166.128  86.023     78.606   16.085  8.1603  17.367  8.0117  -1.282274      11.43586 
1 1 1 -27 -21 11 o 10.244  4.9763  -32.0112   39.010   -255.8318  166.482  -19.0080   40.127   ?       ?       10.989  5.2645  0.000000       5.264536 
1 1 1 -27 -21 12 o 31.820  7.3316  200.049    55.441   324.495    105.268  152.280    65.219   28.354  10.890  23.516  8.6695  4.837626       13.91946 
1 1 1 -27 -21 13 o 15.189  6.8007  37.589     51.620   -53.8556   103.436  67.916     59.568   14.046  7.0422  17.205  7.5213  -3.158875      10.30357 
1 1 1 -27 -21 14 o 16.430  7.2078  54.244     55.132   30.855     120.731  60.407     61.970   16.086  7.9921  16.767  7.4834  -0.6811409     10.94877 
1 1 1 -27 -21 15 o 13.013  6.1639  -3.0772    51.918   116.789    111.133  -36.5402   58.719   18.303  8.7664  12.201  5.9661  6.102091       10.60394 
1 1 1 -27 -21 16 o ?       ?       22.810     192.218  16.404     313.483  26.670     243.329  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -21 17 o 34.034  10.024  311.715    88.362   341.950    149.629  295.525    109.492  23.264  10.842  26.849  10.854  -3.585022      15.34139 
1 1 1 -27 -21 18 o 17.100  7.3984  59.749     56.404   16.429     129.390  69.913     62.672   16.288  8.1216  17.691  7.7248  -1.403471      11.20861 
1 1 1 -27 -21 19 o 11.694  5.6061  -21.9699   45.686   -191.5716  105.425  17.244     50.693   ?       ?       14.185  6.5032  0.000000       6.503180 
1 1 1 -27 -21 20 o 15.227  6.7233  33.882     48.686   29.372     111.882  34.935     54.075   16.435  8.0769  15.458  6.9381  0.9770346      10.64766 
1 1 1 -27 -21 21 o 14.714  6.7361  22.378     54.121   64.459     116.182  10.716     61.163   17.345  8.4621  14.450  6.7975  2.895893       10.85418 
1 1 1 -27 -21 22 o 14.818  7.1619  -0.5810    78.283   -3.6207    195.754  -0.0023    85.410   ?       ?       15.110  7.3455  0.000000       7.345500 
1 1 1 -27 -21 23 o 14.728  7.1523  -6.6245    80.430   68.374     190.078  -22.9817   88.769   17.565  8.8918  14.618  7.1863  2.946719       11.43273 
1 1 1 -27 -21 24 o 22.827  9.7710  186.005    96.392   178.544    221.422  187.749    107.071  18.544  9.4093  21.903  9.8017  -3.358719      13.58709 
1 1 1 -27 -21 25 o 17.581  7.6727  65.223     61.763   210.282    115.736  7.4631     73.031   22.178  10.034  14.893  7.1260  7.285069       12.30726 
1 1 1 -27 -21 26 o 14.589  6.9393  6.7144     67.131   -72.5800   122.165  41.017     80.350   14.848  7.4713  16.384  7.7327  -1.535906      10.75248 
1 1 1 -27 -21 27 o 16.420  7.5355  46.229     68.300   29.357     130.117  52.646     80.245   16.696  8.2957  16.831  7.8754  -0.1349545     11.43855 
1 1 1 -27 -21 28 o 13.740  6.6802  -20.6873   70.703   -1.3903    131.574  -28.5217   83.835   16.140  8.0696  14.199  6.9807  1.941282       10.67003 
1 1 1 -27 -21 29 o 11.979  5.9705  -80.1259   69.631   -187.2137  153.977  -52.5971   78.069   ?       ?       13.239  6.5510  0.000000       6.550989 
1 1 1 -27 -21 30 o 16.786  7.7811  55.390     75.485   0.8268     160.395  70.912     85.551   16.417  8.2967  17.436  8.1500  -1.019146      11.63006 
1 1 1 -27 -21 31 o 18.675  8.3091  93.877     75.771   95.156     162.032  93.519     85.720   17.566  8.8079  18.331  8.4233  -0.7647209     12.18732 
1 1 1 -27 -21 32 o 25.396  9.4142  190.196    77.111   165.880    148.369  199.194    90.258   18.785  9.2453  23.761  9.7604  -4.976311      13.44398 
1 1 1 -27 -21 33 o 15.842  7.6238  33.843     86.381   -75.1980   158.376  80.016     103.060  ?       ?       17.345  8.3422  0.000000       8.342175 
1 1 1 -27 -21 34 o 17.141  8.0842  73.285     87.527   145.336    165.179  45.156     103.207  17.873  8.9518  16.266  7.9443  1.607254       11.96853 
1 1 1 -27 -21 35 o 20.372  8.6532  127.831    74.552   62.704     144.453  151.476    87.040   16.639  8.3391  20.661  9.0603  -4.021963      12.31378 
1 1 1 -27 -21 36 o 20.442  8.7682  136.092    77.910   26.738     158.938  170.680    89.386   16.095  8.1457  21.339  9.2729  -5.244127      12.34257 
1 1 1 -27 -21 37 o 15.724  7.4705  44.056     77.391   -32.9957   164.438  65.980     87.713   ?       ?       16.544  7.8864  0.000000       7.886438 
1 1 1 -27 -21 38 f 15.948  7.4680  52.031     72.395   15.743     161.287  61.186     81.014   15.783  8.0105  16.312  7.7187  -0.5290432     11.12417 
1 1 1 -27 -21 39 o 15.372  7.6932  16.215     120.945  63.716     277.080  5.0337     134.427  ?       ?       15.351  7.7385  0.000000       7.738486 
1 1 1 -27 -21 40 o 14.514  7.3140  -32.7666   119.476  64.980     276.960  -55.1153   132.432  ?       ?       14.478  7.3388  0.000000       7.338779 
1 1 1 -27 -21 41 o 13.355  6.5358  -14.0578   70.928   -39.7051   162.821  -8.0510    78.798   ?       ?       13.856  6.8031  0.000000       6.803071 
1 1 1 -27 -21 42 o 18.187  8.2723  108.242    79.947   57.955     174.357  121.629    89.961   ?       ?       18.287  8.4833  0.000000       8.483287 
1 1 1 -27 -21 43 o 13.012  6.3906  -23.1103   69.700   107.180    152.993  -57.2340   78.297   16.656  8.3786  12.603  6.2897  4.053266       10.47666 
1 1 1 -27 -21 44 o 26.011  8.6930  180.036    64.451   165.661    71.313   244.140    150.588  23.006  8.9283  18.984  9.3377  4.022501       12.91922 
1 1 1 -27 -21 45 o 13.756  6.3319  20.392     48.716   -8.0122    58.464   84.915     88.115   12.921  6.2312  16.974  8.0373  -4.053153      10.16982 
1 1 1 -27 -21 46 o 17.472  7.2406  70.539     50.259   7.3182     63.464   176.878    82.309   13.801  6.6138  22.130  9.2263  -8.329617      11.35195 
1 1 1 -27 -21 47 o 11.469  5.4088  -6.9731    39.176   15.051     45.846   -66.5840   75.425   13.296  6.1283  12.269  6.1304  1.027449       8.668237 
1 1 1 -27 -21 48 o 12.291  5.8604  -6.2694    48.497   23.442     53.999   -130.1853  110.278  14.096  6.5503  12.855  6.5343  1.240434       9.252214 
1 1 1 -27 -21 49 o 8.7479  4.3990  -84.6397   41.985   -76.1181   45.786   -129.6680  105.248  9.4434  4.7272  12.578  6.3926  -3.135049      7.950568 
1 1 1 -27 -21 50 o 13.177  6.0845  16.985     45.491   -36.7215   56.938   111.778    75.644   11.617  5.7195  18.173  8.1773  -6.556262      9.979020 
1 1 1 -27 -21 51 o 13.641  6.2248  26.567     45.739   19.236     56.837   40.041     77.051   13.601  6.4444  14.787  7.1365  -1.185957      9.615556 
1 1 1 -27 -21 52 o 11.890  5.7822  -13.0555   53.044   -13.0555   53.044   0.0000     0.0000   11.890  5.7822  ?       ?       0.000000       5.782225 
1 1 1 -27 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -20 8  o 29.264  6.5029  156.108    44.976   0.0000     0.0000   156.108    44.976   ?       ?       29.264  6.5029  0.000000       6.502943 
1 1 1 -27 -20 9  o 8.4468  4.1065  -30.6505   26.701   7.6509     71.623   -36.8326   28.775   14.327  6.9062  8.5120  4.1652  5.814786       8.064986 
1 1 1 -27 -20 10 o 16.958  7.7480  67.224     71.135   277.178    172.135  23.984     78.117   19.593  9.7013  15.179  7.2910  4.414730       12.13563 
1 1 1 -27 -20 11 o 11.894  5.5355  -2.3982    38.801   -50.6296   88.601   9.0465     43.160   13.616  6.7782  13.005  5.9763  0.6107712      9.036571 
1 1 1 -27 -20 12 o 23.368  7.7668  121.004    51.467   107.064    98.616   126.222    60.336   18.376  8.6403  22.363  8.3200  -3.987473      11.99493 
1 1 1 -27 -20 13 o 29.012  7.9466  177.122    57.588   313.715    117.173  133.620    66.126   26.469  11.019  22.358  8.6195  4.110334       13.99005 
1 1 1 -27 -20 14 o 24.366  8.4361  143.072    60.785   250.909    120.474  106.245    70.403   23.128  10.370  19.868  8.4225  3.260096       13.35958 
1 1 1 -27 -20 15 o 20.058  7.9739  95.152     58.067   143.565    115.557  78.797     67.163   19.581  9.2511  18.291  7.9915  1.289524       12.22484 
1 1 1 -27 -20 16 o 14.775  6.8838  17.385     60.261   -16.7003   98.678   37.656     76.099   15.162  7.4775  16.208  7.6111  -1.045714      10.66962 
1 1 1 -27 -20 17 o 14.153  6.6971  2.4120     60.989   -238.3721  117.110  92.018     71.441   ?       ?       19.173  8.3107  0.000000       8.310685 
1 1 1 -27 -20 18 f 13.286  6.1000  6.6208     44.832   -20.8661   125.989  10.606     47.972   15.954  7.9646  13.773  6.3188  2.180594       10.16672 
1 1 1 -27 -20 19 o 9.3903  4.6537  -63.4276   39.946   -76.5776   102.355  -61.0650   43.386   14.211  7.1069  9.9503  4.9165  4.260383       8.641789 
1 1 1 -27 -20 20 o 13.685  6.4558  -2.5424    55.877   37.054     109.322  -16.5455   65.011   16.967  8.2623  13.731  6.6093  3.236361       10.58056 
1 1 1 -27 -20 21 o 12.797  6.1025  -16.3364   52.612   -94.9400   106.246  9.2001     60.558   14.115  7.0851  14.566  6.8238  -0.4505653     9.836832 
1 1 1 -27 -20 22 o 17.122  8.0016  50.438     82.401   7.1460     200.473  59.239     90.389   17.437  8.8579  17.536  8.2536  -0.9885406E-01 12.10719 
1 1 1 -27 -20 23 o 19.898  8.8607  110.015    86.355   259.653    210.448  79.718     94.694   20.155  10.096  18.331  8.5704  1.823179       13.24306 
1 1 1 -27 -20 24 o 16.315  7.4686  38.668     66.522   214.253    199.391  16.677     70.565   19.765  9.8898  15.407  7.2640  4.357938       12.27083 
1 1 1 -27 -20 25 o 14.996  6.9171  19.419     58.571   205.249    114.696  -46.1363   68.123   22.722  10.158  12.986  6.3658  9.735878       11.98783 
1 1 1 -27 -20 26 o 12.127  5.9311  -46.5394   58.135   40.348     112.157  -78.4595   67.980   17.127  8.3465  12.067  5.9957  5.060244       10.27681 
1 1 1 -27 -20 27 o 11.389  5.6506  -74.7281   59.554   -73.4334   112.544  -75.2316   70.185   14.729  7.3788  12.316  6.1148  2.412868       9.583203 
1 1 1 -27 -20 28 o 13.162  6.3992  -31.5156   64.859   114.665    153.991  -63.0398   71.511   18.623  9.2128  12.713  6.2872  5.909903       11.15364 
1 1 1 -27 -20 29 o 15.032  7.1140  12.335     68.871   -42.2402   133.346  32.190     80.430   15.782  7.9238  16.211  7.6769  -0.4293051     11.03269 
1 1 1 -27 -20 30 o 10.701  5.3611  -99.0646   59.442   -121.7086  123.825  -92.2839   67.759   14.302  7.2331  11.634  5.8131  2.667587       9.279545 
1 1 1 -27 -20 31 o ?       ?       -195.9534  63.565   -409.7308  120.355  -113.2539  74.857   ?       ?       11.734  5.8971  0.000000       5.897071 
1 1 1 -27 -20 32 o 18.853  8.3164  91.718     74.327   9.4498     139.318  124.450    87.878   16.454  8.2380  20.028  8.9270  -3.573786      12.14724 
1 1 1 -27 -20 33 o 43.249  11.499  554.588    122.746  356.430    206.304  663.176    152.718  20.544  10.246  39.046  13.380  -18.50248      16.85196 
1 1 1 -27 -20 34 o 18.709  8.6539  106.695    92.636   137.117    171.895  94.244     109.972  18.092  9.0716  17.912  8.6156  0.1800957      12.51091 
1 1 1 -27 -20 35 o 15.877  7.4514  39.276     72.766   -88.6121   141.137  85.579     84.924   14.857  7.5355  17.864  8.2711  -3.007120      11.18904 
1 1 1 -27 -20 36 o 18.165  8.2449  91.554     78.888   274.984    165.059  37.250     89.809   20.097  9.8632  15.948  7.6988  4.149031       12.51210 
1 1 1 -27 -20 37 o 13.372  6.5537  -25.1611   72.093   -142.5987  240.820  -13.6005   75.558   ?       ?       13.889  6.7862  0.000000       6.786246 
1 1 1 -27 -20 38 o 14.384  7.0319  -2.2604    81.420   -181.0989  270.794  15.514     85.370   ?       ?       15.016  7.3098  0.000000       7.309803 
1 1 1 -27 -20 39 o 17.717  8.7287  131.390    133.356  162.796    284.231  122.525    151.009  ?       ?       17.316  8.6558  0.000000       8.655849 
1 1 1 -27 -20 40 f 16.019  7.9761  45.165     122.938  -84.2664   282.658  75.361     136.527  ?       ?       16.556  8.2689  0.000000       8.268935 
1 1 1 -27 -20 41 o 16.574  7.1786  60.056     53.220   21.847     65.931   131.515    90.164   14.545  6.9060  18.976  8.6898  -4.431139      11.09982 
1 1 1 -27 -20 42 o 20.090  7.6893  99.279     52.369   104.720    64.278   88.536     90.316   19.255  8.0988  17.181  8.1359  2.073503       11.47970 
1 1 1 -27 -20 43 o 8.8413  4.4340  -79.3329   41.171   -69.2441   47.381   -110.4299  83.185   9.8944  4.9306  11.923  6.0201  -2.029106      7.781548 
1 1 1 -27 -20 44 o 21.863  8.1531  125.072    58.006   162.221    63.320   -68.7901   144.648  24.625  8.6054  14.640  7.4457  9.984505       11.37943 
1 1 1 -27 -20 45 o 14.214  6.4874  25.963     49.701   -23.1388   59.428   140.229    90.656   12.494  6.0858  19.347  8.8035  -6.853087      10.70232 
1 1 1 -27 -20 46 o 17.253  7.1990  66.558     50.172   24.403     63.229   138.224    82.442   14.611  6.8848  19.944  8.7800  -5.332930      11.15745 
1 1 1 -27 -20 47 o 13.653  6.2388  19.207     46.138   48.499     56.917   -36.9259   78.791   15.767  7.0942  13.229  6.5526  2.538100       9.657314 
1 1 1 -27 -20 48 o 12.651  6.0612  -7.6353    53.226   -10.5399   60.155   2.8391     114.234  12.980  6.2747  15.082  7.5376  -2.102382      9.807500 
1 1 1 -27 -20 49 o 15.636  7.7466  40.393     110.389  0.0000     0.0000   40.393     110.389  ?       ?       15.636  7.7466  0.000000       7.746614 
1 1 1 -27 -20 50 o 17.670  7.5209  80.699     56.529   78.004     63.476   91.026     124.270  17.113  7.6101  16.411  8.1458  0.7019882      11.14758 
1 1 1 -27 -20 51 o 13.543  6.4472  14.103     58.212   14.103     58.212   0.0000     0.0000   13.543  6.4472  ?       ?       0.000000       6.447184 
1 1 1 -27 -20 52 o 16.644  7.5713  83.117     66.996   83.117     66.996   0.0000     0.0000   16.644  7.5713  ?       ?       0.000000       7.571264 
1 1 1 -27 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -19 8  o 8.1137  3.8854  -20.3284   21.810   -43.8293   62.018   -17.0117   23.299   12.193  5.9964  8.6528  4.1075  3.539911       7.268327 
1 1 1 -27 -19 9  o 10.684  4.9126  -3.6282    29.222   -33.2992   72.374   2.1512     31.942   13.269  6.5160  11.490  5.2274  1.778506       8.353670 
1 1 1 -27 -19 10 o 16.977  7.7477  60.706     70.876   89.121     173.144  54.987     77.683   17.450  8.7952  16.704  7.7938  0.7464104      11.75154 
1 1 1 -27 -19 11 o 24.923  7.5927  128.520    50.056   8.3384     103.375  165.329    57.210   15.746  7.7435  27.850  8.0266  -12.10405      11.15300 
1 1 1 -27 -19 12 o 32.319  7.5582  202.063    58.214   276.107    120.703  179.620    66.453   24.623  10.737  27.364  8.8091  -2.741314      13.88803 
1 1 1 -27 -19 13 o 14.683  6.5687  25.018     48.046   235.643    99.104   -39.6966   54.933   25.793  10.362  11.984  5.8404  13.80938       11.89430 
1 1 1 -27 -19 14 o 13.302  6.2520  -2.9719    51.544   33.870     93.540   -19.0359   61.767   16.564  7.9622  13.374  6.4388  3.189983       10.23982 
1 1 1 -27 -19 15 o 22.177  8.3363  116.077    60.879   -4.6300    112.409  166.178    72.419   16.072  7.9361  25.271  9.1628  -9.199265      12.12179 
1 1 1 -27 -19 16 o 15.939  7.3391  31.352     65.526   59.017     126.972  21.310     76.501   17.776  8.7093  15.848  7.4996  1.928387       11.49327 
1 1 1 -27 -19 17 o 17.686  7.7480  60.784     63.510   75.436     133.387  56.488     72.221   18.250  8.9381  17.443  7.9060  0.8072491      11.93294 
1 1 1 -27 -19 18 f 15.736  6.9048  34.728     50.617   112.280    109.998  13.895     57.012   19.554  9.1721  14.732  6.8054  4.822012       11.42107 
1 1 1 -27 -19 19 o 21.004  7.8493  93.916     53.818   32.828     109.377  113.430    61.820   17.179  8.3421  22.150  8.3838  -4.971954      11.82706 
1 1 1 -27 -19 20 f 13.925  6.5971  -6.9521    59.536   164.520    111.589  -75.1864   70.392   21.678  9.8265  12.479  6.1832  9.198991       11.60997 
1 1 1 -27 -19 21 o 12.768  6.1621  -30.8759   57.454   -33.8071   111.480  -29.8157   67.043   15.735  7.7937  13.592  6.5840  2.142695       10.20252 
1 1 1 -27 -19 22 o 29.948  10.676  268.629    97.848   220.864    250.171  277.255    106.318  19.815  10.048  28.832  10.975  -9.016975      14.88012 
1 1 1 -27 -19 23 o 17.288  8.0898  45.731     84.706   -14.4179   194.604  59.791     94.087   17.613  8.9246  17.943  8.4376  -0.3297634     12.28174 
1 1 1 -27 -19 24 o 17.917  7.9043  61.624     67.158   -295.0144  200.160  106.865    71.290   ?       ?       20.894  8.6382  0.000000       8.638223 
1 1 1 -27 -19 25 o 13.388  6.3833  -15.9720   57.533   30.728     111.165  -33.0568   67.238   17.228  8.3764  13.496  6.5508  3.732322       10.63373 
1 1 1 -27 -19 26 o 13.620  6.4353  -7.6477    55.933   -57.6490   113.006  8.5764     64.371   15.295  7.6208  14.940  7.0106  0.3552637      10.35495 
1 1 1 -27 -19 27 o 15.864  7.1685  31.606     58.854   -17.9957   125.407  45.617     66.649   16.388  8.1427  16.888  7.6302  -0.5005016     11.15898 
1 1 1 -27 -19 28 o 14.894  6.9125  13.928     59.842   11.990     127.423  14.477     67.782   16.953  8.3856  15.320  7.1904  1.633586       11.04628 
1 1 1 -27 -19 29 o 38.370  8.2400  291.123    74.424   169.433    147.665  332.562    86.169   20.223  9.7897  38.898  9.2627  -18.67544      13.47722 
1 1 1 -27 -19 30 o 20.944  8.4959  108.247    67.334   156.588    140.697  93.886     76.687   19.958  9.6350  19.425  8.5117  0.5326977      12.85623 
1 1 1 -27 -19 31 o 29.325  9.5221  218.364    77.525   126.553    150.169  251.724    90.521   18.996  9.3400  29.292  10.286  -10.29597      13.89390 
1 1 1 -27 -19 32 o 13.330  6.4974  -33.1452   68.066   -158.8044  130.243  14.071     79.837   14.151  7.1839  15.553  7.4443  -1.402395      10.34534 
1 1 1 -27 -19 33 o 19.405  8.8699  111.858    93.349   1.5965     168.833  160.409    112.032  16.856  8.5181  20.614  9.5287  -3.757517      12.78106 
1 1 1 -27 -19 34 o 16.824  7.1545  53.382     51.073   44.069     59.204   80.474     100.977  16.207  7.2681  17.895  8.5113  -1.687666      11.19230 
1 1 1 -27 -19 35 o 25.386  7.6386  133.431    50.892   153.800    63.144   95.672     85.973   25.107  8.6034  18.591  8.5033  6.515799       12.09650 
1 1 1 -27 -19 36 o 24.400  8.0514  134.739    55.345   139.544    69.078   126.127    92.489   22.490  8.7708  19.580  8.9028  2.909527       12.49748 
1 1 1 -27 -19 37 f 13.436  6.2309  8.9709     48.482   -28.6004   57.960   96.511     88.471   12.446  6.0505  18.238  8.4437  -5.792629      10.38768 
1 1 1 -27 -19 38 o 14.939  6.7099  32.701     50.670   2.3949     61.609   96.053     89.076   13.829  6.5971  18.050  8.3964  -4.221165      10.67806 
1 1 1 -27 -19 39 o 16.246  8.0653  42.075     121.969  159.261    277.552  14.028     135.782  ?       ?       15.890  7.9803  0.000000       7.980318 
1 1 1 -27 -19 40 o 20.154  9.6122  221.198    130.656  455.516    275.887  153.450    148.346  ?       ?       18.008  8.9322  0.000000       8.932240 
1 1 1 -27 -19 41 o 24.816  8.1790  147.809    57.119   139.286    72.069   162.205    93.671   21.280  8.7292  20.424  9.1518  0.8565960      12.64729 
1 1 1 -27 -19 42 o 11.865  5.6493  -11.3311   44.739   45.419     53.536   -142.7214  81.460   15.627  6.9665  11.358  5.7570  4.269560       9.037420 
1 1 1 -27 -19 43 o 18.344  7.3643  77.887     50.025   92.212     61.375   49.532     86.346   18.699  7.8919  15.990  7.6764  2.709363       11.00953 
1 1 1 -27 -19 44 o 19.254  7.7637  93.232     55.865   42.316     69.314   187.625    94.375   15.582  7.3000  21.569  9.4470  -5.987021      11.93882 
1 1 1 -27 -19 45 o 14.273  6.4713  26.468     48.423   -30.4121   63.129   107.772    75.475   12.565  6.1527  18.823  8.3378  -6.258264      10.36220 
1 1 1 -27 -19 46 o 9.6106  4.7605  -57.7517   41.612   3.6730     52.307   -163.6309  68.675   13.219  6.2390  10.081  5.1272  3.138165       8.075447 
1 1 1 -27 -19 47 o 11.599  5.5563  -17.1929   44.686   -52.0226   54.584   53.591     77.814   11.224  5.5400  16.188  7.6308  -4.963820      9.429800 
1 1 1 -27 -19 48 o 22.952  8.6321  147.212    65.291   141.897    75.153   163.572    131.848  21.035  8.7968  18.443  9.0012  2.592693       12.58591 
1 1 1 -27 -19 49 o 15.471  6.9589  44.317     54.729   30.999     61.062   98.716     123.411  14.828  6.9154  17.010  8.3834  -2.182260      10.86762 
1 1 1 -27 -19 50 o 16.729  7.5538  69.686     65.203   69.686     65.203   0.0000     0.0000   16.729  7.5538  ?       ?       0.000000       7.553787 
1 1 1 -27 -19 51 o 14.229  6.6858  26.194     58.881   26.194     58.881   0.0000     0.0000   14.229  6.6858  ?       ?       0.000000       6.685838 
1 1 1 -27 -19 52 o 14.187  7.1698  -18.1328   119.757  511.018    363.286  -82.6452   126.847  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -18 7  o 15.529  6.6175  40.829     43.858   0.0000     0.0000   40.829     43.858   ?       ?       15.529  6.6175  0.000000       6.617484 
1 1 1 -27 -18 8  o 10.817  4.9366  -1.8033    28.770   33.996     130.203  -3.6409    29.499   16.627  8.2674  10.776  4.9479  5.851078       9.634912 
1 1 1 -27 -18 9  o 10.612  5.1612  -38.1831   42.293   -41.3146   66.839   -36.0921   54.617   12.857  6.3030  12.030  5.8541  0.8267069      8.602224 
1 1 1 -27 -18 10 o 31.102  7.4044  183.760    55.073   260.069    186.816  176.497    57.635   20.237  10.035  29.470  7.8992  -9.233576      12.77118 
1 1 1 -27 -18 11 o 16.202  6.7142  44.518     43.217   184.542    94.711   7.6966     48.568   23.355  9.8274  13.668  6.3025  9.686993       11.67476 
1 1 1 -27 -18 12 f 10.420  5.1007  -48.5130   43.261   14.657     92.857   -66.0253   48.891   16.087  7.7817  10.511  5.1984  5.576068       9.358314 
1 1 1 -27 -18 13 o 14.545  6.4924  21.378     46.657   65.417     87.172   3.6978     55.234   17.910  8.3228  14.044  6.5590  3.866442       10.59668 
1 1 1 -27 -18 14 o 10.497  5.1565  -55.5082   45.457   -145.2958  86.215   -20.9379   53.497   12.209  6.1601  12.778  6.1101  -0.5690165     8.676356 
1 1 1 -27 -18 15 o 12.734  6.0396  -15.8307   50.155   10.592     102.045  -24.2469   57.592   16.497  8.0219  13.046  6.2648  3.451316       10.17837 
1 1 1 -27 -18 16 o 28.124  9.5230  197.452    77.356   14.822     146.746  267.729    91.031   17.526  8.7246  31.682  10.320  -14.15544      13.51355 
1 1 1 -27 -18 17 o 14.177  6.8064  -17.6143   67.891   44.927     118.897  -47.8712   82.699   17.872  8.6833  14.179  6.9634  3.693115       11.13054 
1 1 1 -27 -18 18 o 10.782  5.2653  -49.3554   45.296   -137.4089  100.249  -26.7671   50.775   13.409  6.7501  12.370  5.9250  1.039227       8.981555 
1 1 1 -27 -18 19 o 19.166  7.6400  72.208     53.443   -34.0099   106.915  107.589    61.705   15.781  7.7826  21.996  8.3638  -6.214856      11.42465 
1 1 1 -27 -18 20 o 12.458  6.0518  -42.9086   57.700   -147.0879  110.403  -3.7593    67.679   13.878  6.9983  14.794  7.0163  -0.9157314     9.909871 
1 1 1 -27 -18 21 o 11.649  5.7510  -71.5671   58.952   -284.3381  107.649  19.576     70.456   ?       ?       15.983  7.4455  0.000000       7.445489 
1 1 1 -27 -18 22 o 20.293  9.3892  114.035    109.152  17.412     253.001  136.133    120.992  ?       ?       20.821  9.7187  0.000000       9.718663 
1 1 1 -27 -18 23 o 16.585  7.8830  19.154     86.346   0.0000     0.0000   19.154     86.346   ?       ?       16.585  7.8830  0.000000       7.883015 
1 1 1 -27 -18 24 o 12.957  6.1716  -20.7084   53.490   37.350     112.170  -37.7962   60.854   17.767  8.5836  12.951  6.2735  4.815264       10.63177 
1 1 1 -27 -18 25 o 10.954  5.4138  -71.5503   52.736   -83.5448   112.706  -68.1882   59.671   15.051  7.5168  11.816  5.8248  3.234932       9.509520 
1 1 1 -27 -18 26 o 23.336  8.6262  124.653    64.651   127.237    130.239  123.808    74.475   20.226  9.6330  22.279  8.9709  -2.052986      13.16331 
1 1 1 -27 -18 27 o 15.273  7.0585  15.566     61.425   104.590    126.534  -11.8813   70.259   19.557  9.3635  14.583  6.9810  4.973531       11.67945 
1 1 1 -27 -18 28 o 19.863  8.2356  86.912     65.068   149.097    134.848  68.038     74.289   20.589  9.8048  18.415  8.2081  2.174221       12.78697 
1 1 1 -27 -18 29 o 16.018  7.2374  31.690     59.975   -11.2706   127.515  43.893     67.961   16.718  8.2904  16.945  7.6760  -0.2272415     11.29832 
1 1 1 -27 -18 30 o 20.725  8.3477  99.219     64.510   149.140    134.403  84.276     73.534   20.353  9.7188  19.235  8.3839  1.118196       12.83528 
1 1 1 -27 -18 31 o 14.312  6.3877  18.715     45.153   13.922     57.732   26.264     72.461   14.799  6.8405  16.060  7.5046  -1.261241      10.15437 
1 1 1 -27 -18 32 o 19.440  7.7125  79.704     54.222   28.463     64.009   209.894    102.027  15.794  7.2655  24.518  10.251  -8.723723      12.56476 
1 1 1 -27 -18 33 o 11.953  5.6609  -15.9498   43.765   14.460     48.658   -144.7425  100.137  14.153  6.4436  13.016  6.5758  1.136532       9.206587 
1 1 1 -27 -18 34 o 18.607  7.7475  74.691     57.935   42.520     67.184   167.998    114.418  16.442  7.5189  20.994  9.6780  -4.551847      12.25556 
1 1 1 -27 -18 35 o 23.029  7.5860  110.241    49.139   172.759    62.412   8.2913     79.700   27.776  8.4819  15.263  7.3399  12.51311       11.21676 
1 1 1 -27 -18 36 o 13.386  6.1500  8.6323     45.667   27.272     56.923   -25.0308   76.497   15.124  6.9181  13.960  6.8225  1.164314       9.716330 
1 1 1 -27 -18 37 o 10.268  5.0698  -58.2173   45.865   -95.1753   57.067   9.2066     77.079   10.470  5.2467  14.989  7.2105  -4.518575      8.917377 
1 1 1 -27 -18 38 o 15.222  6.7760  35.078     50.450   35.675     64.239   34.119     81.493   15.597  7.2118  15.881  7.5791  -0.2839432     10.46198 
1 1 1 -27 -18 39 o 16.193  7.9995  32.973     114.643  -132.1148  276.964  67.107     125.938  ?       ?       16.957  8.3781  0.000000       8.378129 
1 1 1 -27 -18 40 o 15.353  7.6450  -2.7574    113.041  -399.6493  280.548  74.168     123.511  ?       ?       16.985  8.3741  0.000000       8.374078 
1 1 1 -27 -18 41 o 15.551  7.0165  41.637     56.141   51.785     62.462   -1.0298    128.072  16.193  7.3447  15.558  7.8048  0.6354351      10.71729 
1 1 1 -27 -18 42 o 13.815  6.3181  18.764     47.444   -24.1074   57.608   109.145    83.645   12.454  6.0495  18.636  8.4706  -6.181108      10.40901 
1 1 1 -27 -18 43 o 23.588  8.2168  137.283    57.709   127.897    75.025   150.883    90.309   20.251  8.6432  20.255  9.0374  -0.3372192E-02 12.50519 
1 1 1 -27 -18 44 o 13.216  6.1650  7.6993     48.568   40.772     61.492   -47.1512   79.190   15.515  7.1310  13.119  6.5102  2.395908       9.655805 
1 1 1 -27 -18 45 o 16.657  7.0910  57.565     50.265   56.881     61.667   58.919     86.764   16.443  7.3925  16.467  7.8480  -0.2351761E-01 10.78148 
1 1 1 -27 -18 46 f 9.8881  4.8814  -53.5980   42.435   -44.1183   50.791   -75.5111   77.222   11.162  5.4767  12.395  6.1949  -1.232766      8.268666 
1 1 1 -27 -18 47 o 29.821  7.9378  189.950    58.451   204.451    73.334   164.691    96.789   27.099  9.2717  20.554  9.2492  6.544233       13.09623 
1 1 1 -27 -18 48 o 24.025  8.7962  159.331    66.975   118.614    77.042   285.306    135.514  19.545  8.5486  21.828  10.220  -2.282982      13.32390 
1 1 1 -27 -18 49 o 16.034  7.3924  51.415     66.772   51.415     66.772   0.0000     0.0000   16.034  7.3924  ?       ?       0.000000       7.392352 
1 1 1 -27 -18 50 o 19.492  8.3161  114.484    69.406   114.484    69.406   0.0000     0.0000   19.492  8.3161  ?       ?       0.000000       8.316059 
1 1 1 -27 -18 51 f 11.354  5.4832  -20.8854   45.671   -73.1535   53.697   115.821    86.841   10.378  5.1839  18.060  8.3627  -7.681918      9.839130 
1 1 1 -27 -18 52 o 12.711  6.4000  -68.5062   90.445   35.853     330.380  -76.9611   94.038   ?       ?       12.715  6.4176  0.000000       6.417597 
1 1 1 -27 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -17 7  o 16.933  6.1983  50.470     33.253   0.0000     0.0000   50.470     33.253   ?       ?       16.933  6.1983  0.000000       6.198326 
1 1 1 -27 -17 8  o 22.203  8.1029  112.700    56.768   219.481    123.049  83.828     63.984   22.318  10.194  19.002  8.0410  3.315948       12.98393 
1 1 1 -27 -17 9  o 21.245  8.5241  112.772    66.981   118.589    163.905  111.606    73.388   18.735  9.3089  20.648  8.6677  -1.913704      12.71946 
1 1 1 -27 -17 10 o 11.552  5.3633  -7.5839    36.069   -85.3553   86.479   8.7945     39.686   13.317  6.6401  13.100  5.9061  0.2168121      8.886617 
1 1 1 -27 -17 11 o 12.913  5.9730  -1.0651    44.124   -52.9226   86.506   17.171     51.299   14.135  6.9765  14.608  6.6377  -0.4731331     9.629653 
1 1 1 -27 -17 12 o 12.689  5.9441  -8.8548    45.942   -26.7886   87.503   -2.0300    53.980   14.951  7.3047  13.776  6.4500  1.175106       9.744803 
1 1 1 -27 -17 13 o 12.766  6.0117  -12.1892   48.060   126.729    144.837  -29.3775   50.947   19.826  9.6212  12.251  5.8856  7.574763       11.27864 
1 1 1 -27 -17 14 o 12.160  5.7886  -22.5315   46.921   -116.1823  89.105   13.400     55.193   13.094  6.5607  14.807  6.7872  -1.712342      9.439752 
1 1 1 -27 -17 15 o 11.719  5.6024  -27.3828   44.925   -26.0334   95.691   -27.7643   50.881   15.569  7.6137  12.382  5.9308  3.187333       9.651067 
1 1 1 -27 -17 16 o 17.373  7.8973  44.817     72.714   -44.2199   120.953  95.209     90.994   16.206  8.0431  19.944  8.9718  -3.737038      12.04922 
1 1 1 -27 -17 17 o 13.913  6.7276  -32.4566   69.259   -142.3825  118.031  25.269     85.532   14.454  7.2822  16.913  7.9810  -2.458464      10.80401 
1 1 1 -27 -17 18 o 14.147  6.5312  2.8845     52.390   -88.9032   109.336  30.240     59.689   14.962  7.4614  16.220  7.2842  -1.258351      10.42746 
1 1 1 -27 -17 19 o 29.419  8.0192  165.926    58.813   174.650    116.993  162.976    68.034   22.919  10.252  27.225  8.9241  -4.305820      13.59182 
1 1 1 -27 -17 20 o 17.369  7.6710  45.721     63.423   107.910    115.403  18.809     75.916   20.352  9.4969  16.394  7.6674  3.957952       12.20569 
1 1 1 -27 -17 21 o 17.177  7.5258  43.921     59.937   35.116     117.135  47.044     69.761   18.123  8.7595  17.608  7.8934  0.5144615      11.79134 
1 1 1 -27 -17 22 o 14.560  7.2524  -92.9994   102.005  176.931    251.530  -146.1309  111.594  20.513  10.369  14.154  7.1246  6.358462       12.58041 
1 1 1 -27 -17 23 o 13.116  6.6037  -151.8607  96.228   93.293     243.330  -197.3086  104.769  19.741  10.001  12.982  6.5747  6.759954       11.96824 
1 1 1 -27 -17 24 o 17.148  7.6119  42.323     63.221   78.003     130.246  31.326     72.311   19.365  9.3295  16.833  7.7354  2.532585       12.11928 
1 1 1 -27 -17 25 o 30.877  8.6349  194.071    67.220   183.358    136.622  197.492    77.213   22.340  10.394  29.077  9.5059  -6.736725      14.08542 
1 1 1 -27 -17 26 o 14.309  6.7231  -4.9076    59.515   68.146     125.658  -26.0343   67.575   18.993  9.1537  14.043  6.7544  4.950286       11.37597 
1 1 1 -27 -17 27 o 13.525  6.4631  -22.1765   59.657   -82.3526   235.316  -18.0433   61.671   ?       ?       13.867  6.6112  0.000000       6.611198 
1 1 1 -27 -17 28 o 11.092  5.3122  -29.6779   40.785   -57.1708   52.435   12.434     64.895   11.425  5.5974  15.432  7.1744  -4.006544      9.099590 
1 1 1 -27 -17 29 o 19.528  7.2493  71.590     45.755   116.411    60.015   9.3755     70.708   23.150  8.3493  15.549  7.3127  7.601385       11.09888 
1 1 1 -27 -17 30 o 19.691  7.3206  74.102     46.694   20.775     60.879   150.298    72.771   15.545  7.1266  24.703  9.1477  -9.157883      11.59610 
1 1 1 -27 -17 31 o 15.522  6.6225  33.196     44.019   49.268     57.385   10.218     68.613   17.146  7.4403  15.355  7.2158  1.791054       10.36461 
1 1 1 -27 -17 32 f 23.028  8.2466  116.662    58.446   129.774    67.621   77.937     116.206  23.178  8.7694  18.620  8.9304  4.557238       12.51616 
1 1 1 -27 -17 33 o 13.761  6.4296  0.0222     53.166   54.380     63.177   -131.8885  98.417   17.369  7.6642  13.240  6.6677  4.128899       10.15871 
1 1 1 -27 -17 34 f 12.705  6.0408  -15.9626   50.777   -39.7610   58.857   53.302     100.410  12.482  6.0748  17.525  8.3773  -5.042977      10.34811 
1 1 1 -27 -17 35 o 62.024  5.0425  580.581    75.230   745.224    104.617  404.270    108.260  65.823  6.6410  37.688  11.094  28.13592       12.92955 
1 1 1 -27 -17 36 o 17.064  7.1760  54.610     50.450   21.673     67.305   96.846     76.218   15.376  7.2002  19.357  8.4837  -3.981482      11.12731 
1 1 1 -27 -17 37 o 10.247  5.0572  -58.7866   45.450   -165.6316  59.100   95.863     71.103   ?       ?       19.347  8.3386  0.000000       8.338636 
1 1 1 -27 -17 38 f 15.466  6.9063  35.943     52.851   48.710     59.906   -8.8921    112.258  16.406  7.3375  15.585  7.7372  0.8210707      10.66319 
1 1 1 -27 -17 39 o 16.783  8.0585  55.055     95.242   -409.7845  276.995  117.380    101.426  ?       ?       18.847  8.8298  0.000000       8.829808 
1 1 1 -27 -17 40 o 16.534  8.0091  49.923     99.219   269.158    265.231  14.251     106.987  ?       ?       15.733  7.7640  0.000000       7.763987 
1 1 1 -27 -17 41 o 29.424  8.4388  197.292    63.377   181.140    90.232   213.019    89.037   22.354  9.5081  24.670  9.8527  -2.315519      13.69228 
1 1 1 -27 -17 42 o 23.280  8.4752  140.188    62.050   175.870    89.360   106.965    86.227   22.027  9.4176  18.593  8.5083  3.433769       12.69184 
1 1 1 -27 -17 43 o 9.5836  4.8264  -103.5492  51.576   -49.0662   75.950   -150.1743  70.260   12.964  6.4233  10.484  5.3175  2.479899       8.338709 
1 1 1 -27 -17 44 o 19.003  7.8219  89.455     58.114   81.207     80.116   98.614     84.424   17.539  8.0901  18.222  8.3681  -0.6826286     11.63932 
1 1 1 -27 -17 45 o 20.081  8.1830  107.037    62.811   181.671    88.285   30.536     89.383   22.485  9.4762  15.683  7.5981  6.802176       12.14617 
1 1 1 -27 -17 46 o 14.907  6.8609  28.971     57.175   -2.8768    77.097   67.894     85.230   14.347  6.9755  16.975  7.9971  -2.627754      10.61184 
1 1 1 -27 -17 47 o 14.799  6.9715  21.331     64.739   32.866     77.905   -4.4132    116.382  15.617  7.4411  15.430  7.6955  0.1861362      10.70466 
1 1 1 -27 -17 48 o 18.611  8.4877  106.184    84.880   106.184    84.880   0.0000     0.0000   18.611  8.4877  ?       ?       0.000000       8.487701 
1 1 1 -27 -17 49 f 12.748  6.3119  -48.5442   72.869   -48.5442   72.869   0.0000     0.0000   12.748  6.3119  ?       ?       0.000000       6.311874 
1 1 1 -27 -17 50 f 30.719  8.5511  221.525    66.081   189.769    89.297   259.967    98.248   22.323  9.4758  25.326  10.266  -3.002758      13.97104 
1 1 1 -27 -17 51 o 11.185  5.5128  -45.8111   53.364   -79.6459   78.842   -17.2065   72.493   12.179  6.1116  13.339  6.5446  -1.160439      8.954510 
1 1 1 -27 -17 52 o 15.018  7.4200  30.787     98.797   153.699    338.502  19.342     103.294  ?       ?       14.822  7.3689  0.000000       7.368903 
1 1 1 -27 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -16 6  o 8.3865  4.0210  -23.0805   23.521   0.0000     0.0000   -23.0805   23.521   ?       ?       8.3865  4.0210  0.000000       4.021016 
1 1 1 -27 -16 7  o 46.676  5.8290  349.470    64.577   122.349    139.985  410.871    72.785   19.107  9.3144  50.006  6.1268  -30.89889      11.14876 
1 1 1 -27 -16 8  o 18.271  7.3345  64.888     49.619   82.522     83.636   55.309     61.639   18.769  8.5074  17.364  7.6192  1.405090       11.42051 
1 1 1 -27 -16 9  o 18.428  8.0375  69.985     67.677   0.0000     0.0000   69.985     67.677   ?       ?       18.428  8.0375  0.000000       8.037548 
1 1 1 -27 -16 10 o 34.159  6.3924  193.137    51.035   331.066    102.604  147.796    58.828   34.467  10.930  26.622  8.2525  7.845343       13.69581 
1 1 1 -27 -16 11 o 10.800  5.2420  -41.9271   43.057   11.852     82.588   -62.0003   50.456   16.120  7.6757  10.981  5.4022  5.138906       9.386199 
1 1 1 -27 -16 12 o 25.017  7.8945  124.249    53.575   220.397    105.305  90.671     62.231   25.972  10.591  20.535  8.2243  5.437117       13.40921 
1 1 1 -27 -16 13 o 20.058  7.7117  79.120     52.823   16.276     103.591  101.202    61.406   17.144  8.2742  21.654  8.3172  -4.510582      11.73198 
1 1 1 -27 -16 14 o 16.640  6.9634  41.972     47.137   -8.4794    94.196   58.827     54.444   16.177  7.8282  18.197  7.5381  -2.020126      10.86757 
1 1 1 -27 -16 15 o 22.347  8.7854  113.770    69.764   114.385    102.663  113.241    95.094   20.918  9.4586  21.070  9.3448  -0.1519127     13.29623 
1 1 1 -27 -16 16 o 11.279  5.6254  -102.2734  62.212   -53.3717   105.611  -128.2594  76.987   15.653  7.7224  12.115  6.0740  3.538295       9.824869 
1 1 1 -27 -16 17 o 14.888  6.7500  12.874     52.692   56.142     124.185  3.3745     58.190   18.978  9.1351  14.755  6.8369  4.223552       11.41016 
1 1 1 -27 -16 18 o 28.886  8.4321  165.513    62.776   202.241    140.247  156.311    70.201   23.344  10.744  26.551  9.0715  -3.207741      14.06170 
1 1 1 -27 -16 19 o 14.571  6.7357  2.2787     55.997   -52.2408   108.584  22.031     65.358   15.927  7.8524  16.246  7.4242  -0.3189802     10.80639 
1 1 1 -27 -16 20 o 14.031  6.5186  -3.8179    53.414   -127.1810  107.733  36.392     61.507   14.410  7.2190  16.929  7.5114  -2.518767      10.41806 
1 1 1 -27 -16 21 o 13.374  6.6879  -123.3339  90.572   -187.7611  241.248  -112.7629  97.721   ?       ?       14.073  7.0238  0.000000       7.023833 
1 1 1 -27 -16 22 o 12.501  6.3049  -168.1642  89.861   -445.8893  230.459  -118.3682  97.585   ?       ?       13.955  6.9731  0.000000       6.973113 
1 1 1 -27 -16 23 o 12.762  6.4427  -176.0887  95.137   -64.2585   241.252  -196.6817  103.526  ?       ?       13.034  6.5942  0.000000       6.594160 
1 1 1 -27 -16 24 o 14.797  7.0220  -12.2360   67.997   46.291     259.103  -16.5649   70.466   19.764  10.043  14.799  7.0586  4.964434       12.27527 
1 1 1 -27 -16 25 o 29.068  7.4042  149.977    52.367   123.430    67.974   188.735    82.134   23.594  8.8205  27.811  9.7955  -4.216541      13.18151 
1 1 1 -27 -16 26 o 19.846  7.4383  72.624     48.400   73.560     63.342   71.309     75.027   19.496  8.1079  19.240  8.4253  0.2552032      11.69289 
1 1 1 -27 -16 27 o 21.460  7.5217  86.984     48.393   35.021     63.728   157.764    74.376   16.806  7.5385  25.912  9.3004  -9.105694      11.97190 
1 1 1 -27 -16 28 o 21.787  7.5866  90.826     49.193   103.693    66.321   75.089     73.347   21.725  8.5579  19.349  8.4039  2.376089       11.99434 
1 1 1 -27 -16 29 o 12.343  5.7479  -10.3429   41.936   14.326     53.537   -49.5087   67.458   14.925  6.7813  13.238  6.4561  1.686940       9.363063 
1 1 1 -27 -16 30 o 29.621  7.3477  157.486    52.555   153.155    69.708   163.189    79.997   25.769  9.0278  25.231  9.5401  0.5385208      13.13446 
1 1 1 -27 -16 31 o 17.808  7.2359  55.911     48.933   33.171     64.712   86.274     74.776   16.477  7.4745  19.736  8.5286  -3.258661      11.34048 
1 1 1 -27 -16 32 o 10.457  5.1943  -80.1444   50.859   -83.5713   56.825   -66.3469   114.022  11.054  5.4904  15.394  7.6677  -4.340625      9.430760 
1 1 1 -27 -16 33 o 28.178  8.8958  178.138    68.022   169.272    77.036   209.511    144.908  25.606  9.4249  21.956  10.369  3.650171       14.01235 
1 1 1 -27 -16 34 o 27.471  9.0852  178.429    70.454   138.820    79.108   330.334    154.922  22.626  9.1976  24.826  11.377  -2.200752      14.62979 
1 1 1 -27 -16 35 o 35.416  7.2219  225.794    59.957   223.826    80.500   228.247    89.854   29.562  9.7081  27.890  10.192  1.672262       14.07562 
1 1 1 -27 -16 36 o 23.647  8.4240  129.790    60.910   123.748    91.821   134.538    81.397   20.387  9.1035  21.682  9.1164  -1.294697      12.88341 
1 1 1 -27 -16 37 o 16.166  7.2088  41.487     57.374   97.799     83.864   -8.0549    78.662   19.166  8.6184  14.747  7.1405  4.419291       11.19211 
1 1 1 -27 -16 38 o 13.722  6.8371  -67.3683   90.981   65.698     270.626  -84.3240   96.604   ?       ?       13.673  6.8477  0.000000       6.847654 
1 1 1 -27 -16 39 o 13.343  6.6793  -82.9052   91.412   371.316    251.569  -152.0023  98.119   19.655  9.9784  12.558  6.3605  7.096457       11.83324 
1 1 1 -27 -16 40 o 18.671  8.8728  117.407    109.304  983.544    295.946  -19.4049   117.620  23.360  11.738  15.415  7.6957  7.944816       14.03610 
1 1 1 -27 -16 41 o 14.695  6.8023  22.694     57.388   -24.6973   83.478   65.161     79.022   14.117  6.9456  17.086  7.9346  -2.968385      10.54512 
1 1 1 -27 -16 42 o 19.049  7.9291  90.051     60.657   27.266     87.523   148.079    84.141   15.679  7.5769  21.106  9.0840  -5.426888      11.82916 
1 1 1 -27 -16 43 o 20.111  8.1308  104.265    61.449   135.441    88.175   74.826     85.684   20.007  8.9282  17.319  8.1146  2.688374       12.06481 
1 1 1 -27 -16 44 o 13.545  6.6233  -22.8338   72.378   -297.0235  279.332  -3.1000    74.938   ?       ?       14.288  6.9306  0.000000       6.930586 
1 1 1 -27 -16 45 o 13.014  6.2273  -9.2718    55.787   -20.6967   75.390   4.5552     82.937   13.777  6.7416  14.837  7.2188  -1.060242      9.877246 
1 1 1 -27 -16 46 o 17.360  8.0528  73.471     81.054   73.471     81.054   0.0000     0.0000   17.360  8.0528  ?       ?       0.000000       8.052784 
1 1 1 -27 -16 47 o 15.933  7.5778  37.676     80.031   37.676     80.031   0.0000     0.0000   15.933  7.5778  ?       ?       0.000000       7.577815 
1 1 1 -27 -16 48 o 15.772  7.5985  31.067     86.402   31.067     86.402   0.0000     0.0000   15.772  7.5985  ?       ?       0.000000       7.598452 
1 1 1 -27 -16 49 o 11.458  5.7004  -70.4811   62.248   -18.3149   72.351   -219.1119  122.126  13.637  6.6584  ?       ?       0.000000       6.658417 
1 1 1 -27 -16 50 o 16.829  7.3886  62.611     58.037   12.915     78.710   121.826    85.918   14.757  7.1446  19.071  8.6354  -4.313920      11.20782 
1 1 1 -27 -16 51 o 17.840  7.6505  81.022     59.290   58.309     81.049   107.169    86.960   16.152  7.6655  18.000  8.3468  -1.848381      11.33267 
1 1 1 -27 -16 52 o 16.545  8.0485  88.143     102.989  144.420    347.203  82.713     107.843  ?       ?       16.350  8.0138  0.000000       8.013818 
1 1 1 -27 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -15 6  o 14.652  5.6708  31.855     28.709   0.0000     0.0000   31.855     28.709   ?       ?       14.652  5.6708  0.000000       5.670835 
1 1 1 -27 -15 7  o 10.002  4.6904  -15.0342   28.732   26.643     68.548   -23.9173   31.646   16.030  7.4250  9.9347  4.7362  6.094793       8.806978 
1 1 1 -27 -15 8  o 16.026  7.1715  32.437     57.308   275.208    157.760  -4.4690    61.510   23.325  10.955  14.290  6.7509  9.034478       12.86779 
1 1 1 -27 -15 9  o 12.021  5.5767  -8.2228    38.878   157.018    155.565  -19.2307   40.152   20.635  10.004  11.530  5.4492  9.104808       11.39185 
1 1 1 -27 -15 10 o 10.066  4.8633  -36.3164   36.005   -146.2265  84.698   -12.0734   39.778   12.301  6.1936  11.935  5.5714  0.3662348      8.330735 
1 1 1 -27 -15 11 o 22.000  7.6859  94.320     50.509   174.819    102.055  68.206     58.127   23.930  10.142  18.955  7.8149  4.974176       12.80389 
1 1 1 -27 -15 12 o 16.996  7.2335  43.691     52.280   -0.4716    100.077  60.266     61.311   16.737  8.0915  18.405  7.8333  -1.668446      11.26200 
1 1 1 -27 -15 13 o 14.254  6.4036  11.133     46.178   -35.4562   97.220   24.707     52.476   15.727  7.6872  15.650  6.9414  0.7674789E-01  10.35743 
1 1 1 -27 -15 14 o 35.171  6.9631  207.126    57.320   158.793    106.912  226.624    67.904   23.253  10.123  34.928  8.1595  -11.67555      13.00198 
1 1 1 -27 -15 15 o 26.315  9.7400  170.196    82.478   242.753    136.008  127.994    103.728  25.449  11.237  21.969  9.7510  3.480183       14.87775 
1 1 1 -27 -15 16 f 19.051  8.5072  63.572     80.200   89.377     131.240  48.192     101.319  20.252  9.6522  18.681  8.7756  1.570892       13.04516 
1 1 1 -27 -15 17 o 18.279  8.0798  51.680     70.509   183.389    113.338  -31.4797   90.059   24.510  10.546  15.663  7.5977  8.846530       12.99770 
1 1 1 -27 -15 18 o 25.744  8.1392  127.766    56.926   -6.1121    118.047  168.333    64.981   17.597  8.5725  29.176  8.5967  -11.57978      12.14047 
1 1 1 -27 -15 19 o 35.040  8.4564  230.565    71.075   266.725    152.144  220.471    80.386   25.727  11.585  31.845  9.6042  -6.117226      15.04822 
1 1 1 -27 -15 20 f 29.244  8.8436  173.415    68.091   67.225     127.253  216.016    80.600   19.799  9.4552  31.376  9.6486  -11.57643      13.50911 
1 1 1 -27 -15 21 o 56.159  10.215  662.355    134.063  922.938    269.035  576.274    154.628  33.806  15.297  42.835  13.396  -9.028767      20.33329 
1 1 1 -27 -15 22 o 30.039  11.536  279.980    118.125  640.720    266.457  191.741    131.783  27.634  13.321  24.014  10.800  3.620544       17.14929 
1 1 1 -27 -15 23 o 26.043  11.426  250.337    138.592  0.0000     0.0000   250.337    138.592  ?       ?       26.043  11.426  0.000000       11.42637 
1 1 1 -27 -15 24 o 16.467  6.9395  36.345     47.339   23.005     60.598   57.235     75.830   16.205  7.3026  18.737  8.3257  -2.532110      11.07455 
1 1 1 -27 -15 25 o 14.802  6.5152  17.805     45.376   13.826     55.702   25.656     78.234   15.314  6.9420  17.159  7.9425  -1.844918      10.54862 
1 1 1 -27 -15 26 f 19.007  7.2986  63.068     47.278   81.337     60.303   33.924     76.165   20.437  8.1254  17.426  7.9825  3.010639       11.39044 
1 1 1 -27 -15 27 o 28.206  7.6700  144.724    53.877   61.840     71.207   255.715    82.401   18.804  8.2218  34.659  9.5107  -15.85509      12.57179 
1 1 1 -27 -15 28 o 25.223  7.9972  123.229    54.928   92.848     69.899   172.274    88.813   20.900  8.5878  25.577  9.9533  -4.676750      13.14603 
1 1 1 -27 -15 29 o 13.110  6.0408  -3.7248    44.496   46.359     53.629   -114.3825  79.715   17.308  7.3449  12.660  6.3227  4.647592       9.691467 
1 1 1 -27 -15 30 o 15.333  6.8038  22.730     50.468   11.404     65.503   39.274     79.169   15.583  7.2325  17.489  8.0581  -1.905551      10.82779 
1 1 1 -27 -15 31 f 22.911  7.9560  105.518    54.083   89.081     68.388   132.961    88.364   20.340  8.4390  22.371  9.4571  -2.030783      12.67493 
1 1 1 -27 -15 32 o 16.671  7.3557  39.067     58.181   41.728     63.857   26.063     141.165  17.009  7.5936  18.084  8.9228  -1.074657      11.71663 
1 1 1 -27 -15 33 o 18.940  8.0835  72.536     65.628   52.868     73.300   152.017    147.352  17.725  8.0058  20.665  9.9477  -2.939207      12.76911 
1 1 1 -27 -15 34 o 12.137  5.7796  -22.3251   46.849   17.407     58.229   -95.2480   78.887   15.173  6.9613  12.759  6.3588  2.414271       9.428333 
1 1 1 -27 -15 35 o 18.071  7.6040  62.767     56.699   6.0853     83.447   111.375    77.276   15.773  7.5656  20.868  8.8341  -5.095324      11.63096 
1 1 1 -27 -15 36 o 14.971  6.8563  19.064     56.148   116.871    82.603   -64.9376   76.552   20.713  8.9573  13.171  6.5122  7.541281       11.07438 
1 1 1 -27 -15 37 o 19.658  7.9475  86.111     58.707   97.310     85.973   76.325     80.360   19.282  8.6930  18.341  8.3235  0.9408989      12.03535 
1 1 1 -27 -15 38 o 24.670  10.587  249.098    113.687  407.980    294.428  221.258    123.245  ?       ?       22.430  10.229  0.000000       10.22868 
1 1 1 -27 -15 39 o 27.508  11.216  319.002    118.090  304.166    303.441  321.651    128.197  ?       ?       25.922  11.184  0.000000       11.18449 
1 1 1 -27 -15 40 o 27.027  8.6692  173.438    64.403   76.444     92.729   263.827    89.515   17.702  8.3404  29.592  10.238  -11.89004      13.20518 
1 1 1 -27 -15 41 o 17.286  7.5015  62.853     58.338   20.228     80.935   108.948    84.164   15.463  7.4260  19.199  8.6334  -3.735419      11.38773 
1 1 1 -27 -15 42 o 17.831  7.6837  72.230     60.349   135.821    88.310   16.513     82.662   20.250  8.9921  15.320  7.3933  4.930042       11.64123 
1 1 1 -27 -15 43 o 17.213  7.5101  63.597     59.133   146.491    81.512   -28.4944   85.915   21.384  9.0639  14.125  6.9681  7.258879       11.43279 
1 1 1 -27 -15 44 o 11.885  5.9576  -94.6187   73.904   -21.4443   274.064  -100.3570  76.747   ?       ?       11.971  6.0106  0.000000       6.010603 
1 1 1 -27 -15 45 o 11.423  5.7387  -104.5453  70.483   -104.5453  70.483   0.0000     0.0000   11.423  5.7387  ?       ?       0.000000       5.738714 
1 1 1 -27 -15 46 o 12.244  6.1367  -93.0321   78.213   -93.0321   78.213   0.0000     0.0000   12.244  6.1367  ?       ?       0.000000       6.136670 
1 1 1 -27 -15 47 o 17.525  8.1216  74.001     82.161   74.001     82.161   0.0000     0.0000   17.525  8.1216  ?       ?       0.000000       8.121560 
1 1 1 -27 -15 48 o 12.537  6.1993  -54.3755   69.426   -88.5880   83.024   25.170     126.596  12.641  6.3335  16.296  8.1110  -3.655544      10.29081 
1 1 1 -27 -15 49 o 16.942  7.4296  60.729     58.527   69.982     82.953   51.557     82.589   17.164  8.0234  16.430  7.7801  0.7333355      11.17612 
1 1 1 -27 -15 50 o 19.905  8.1534  105.797    62.760   104.740    84.050   107.129    94.354   18.469  8.4320  18.204  8.5249  0.2645435      11.99046 
1 1 1 -27 -15 51 o 11.324  5.5788  -46.9494   54.465   -38.3156   72.503   -58.1323   82.515   12.871  6.3588  12.935  6.4556  -0.6415272E-01 9.061409 
1 1 1 -27 -15 52 o 15.253  7.4936  34.323     96.038   -279.5587  342.309  61.140     100.057  ?       ?       15.951  7.7971  0.000000       7.797061 
1 1 1 -27 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -14 6  o 12.788  5.3033  17.483     26.990   61.197     56.479   4.5461     30.725   18.081  7.5975  11.890  5.2906  6.191016       9.258133 
1 1 1 -27 -14 7  o 11.559  5.2338  -1.1745    31.559   74.903     75.281   -17.3949   34.761   18.999  8.3758  10.885  5.1219  8.113362       9.817724 
1 1 1 -27 -14 8  o 18.917  7.9244  69.199     61.134   118.620    164.703  61.302     65.838   20.011  9.8274  18.323  7.9602  1.687830       12.64684 
1 1 1 -27 -14 9  o 28.777  6.7935  140.451    46.675   80.302     98.626   157.809    52.983   19.458  8.9754  29.735  7.3785  -10.27761      11.61896 
1 1 1 -27 -14 10 o 26.521  7.3497  126.403    48.932   135.827    100.093  123.444    56.092   22.202  9.7266  24.946  8.0995  -2.743763      12.65740 
1 1 1 -27 -14 11 o 23.100  7.8007  102.448    51.904   90.353     99.821   106.929    60.764   20.188  9.2060  22.702  8.3684  -2.514536      12.44102 
1 1 1 -27 -14 12 o 15.979  6.8035  32.138     46.287   144.632    96.549   -1.4343    52.744   23.232  9.8568  14.140  6.5370  9.091960       11.82748 
1 1 1 -27 -14 13 o 16.553  7.0068  36.962     48.610   -49.9128   97.454   65.735     56.085   15.571  7.6291  19.185  7.7638  -3.613982      10.88488 
1 1 1 -27 -14 14 o 11.804  5.6711  -37.1940   47.309   23.398     94.513   -57.4512   54.648   17.742  8.3775  11.896  5.8037  5.845390       10.19142 
1 1 1 -27 -14 15 o 18.753  8.2305  56.750     71.958   26.162     127.904  70.915     87.038   18.784  9.0980  19.710  8.8276  -0.9254856     12.67671 
1 1 1 -27 -14 16 o 40.617  9.3146  325.711    89.843   285.332    160.434  344.160    108.441  26.225  11.844  37.522  11.119  -11.29751      16.24538 
1 1 1 -27 -14 17 o 15.545  6.8596  20.714     50.611   177.416    102.662  -29.5975   58.171   25.467  10.429  13.441  6.4116  12.02628       12.24255 
1 1 1 -27 -14 18 o 42.064  6.6974  282.509    66.064   188.388    132.965  313.361    76.125   24.249  10.882  42.940  7.5837  -18.69131      13.26392 
1 1 1 -27 -14 19 o 21.283  8.1898  86.323     59.611   70.950     116.196  91.815     69.446   20.134  9.4387  21.411  8.6482  -1.276703      12.80159 
1 1 1 -27 -14 20 o 17.008  7.1003  39.852     48.840   75.573     69.792   5.5724     68.370   20.172  8.4593  15.936  7.3937  4.235363       11.23505 
1 1 1 -27 -14 21 o 16.349  7.9239  -30.1435   97.420   -222.5012  195.117  33.733     112.438  17.133  8.7067  18.856  8.9723  -1.723921      12.50237 
1 1 1 -27 -14 22 o 21.022  9.5020  94.146     103.489  67.134     220.498  101.777    117.199  20.702  10.365  21.252  9.7964  -0.5500813     14.26170 
1 1 1 -27 -14 23 o 27.966  9.5629  173.759    78.013   -135.2202  252.550  206.352    82.025   ?       ?       30.520  9.7829  0.000000       9.782919 
1 1 1 -27 -14 24 o 12.051  5.6122  -14.7500   39.984   33.044     49.713   -102.3127  67.289   16.430  7.0246  11.996  5.9612  4.434471       9.213058 
1 1 1 -27 -14 25 o 50.815  5.5997  384.241    67.897   383.440    89.324   385.337    104.491  46.233  8.2660  42.343  10.275  3.889427       13.18689 
1 1 1 -27 -14 26 o 22.053  9.7186  119.970    101.261  117.902    122.849  124.352    178.845  21.540  9.9643  21.265  10.401  0.2750072      14.40370 
1 1 1 -27 -14 27 o 14.249  6.3673  10.301     45.010   51.360     51.499   -122.5086  92.622   17.944  7.3721  13.657  6.8196  4.287566       10.04260 
1 1 1 -27 -14 28 o 18.310  7.3074  56.120     48.942   125.107    57.527   -124.6880  93.131   25.288  8.2019  13.609  6.8021  11.67868       10.65551 
1 1 1 -27 -14 29 o 27.293  8.3882  147.579    60.928   89.375     75.536   255.958    103.075  20.593  8.7267  30.275  10.938  -9.681673      13.99301 
1 1 1 -27 -14 30 o 14.291  6.5354  5.0817     50.752   10.230     59.348   -8.9296    97.909   15.248  7.0074  16.558  8.0047  -1.310443      10.63854 
1 1 1 -27 -14 31 o 33.487  7.6529  201.178    60.824   178.779    76.248   240.374    100.862  27.689  9.4542  28.893  10.756  -1.203938      14.32016 
1 1 1 -27 -14 32 o 26.565  9.0888  160.045    70.470   154.905    77.551   184.397    168.802  25.065  9.4113  21.522  10.431  3.542019       14.04919 
1 1 1 -27 -14 33 o 22.838  8.8343  121.874    69.645   144.325    77.796   31.257     156.293  23.928  9.3144  18.404  9.1352  5.524235       13.04640 
1 1 1 -27 -14 34 o 20.455  7.7638  84.356     53.108   106.229    67.742   49.473     85.548   21.472  8.5875  17.761  8.2506  3.710758       11.90871 
1 1 1 -27 -14 35 o 15.415  6.9872  23.240     56.409   122.455    82.581   -63.5498   77.237   21.491  9.1168  13.411  6.6140  8.079808       11.26328 
1 1 1 -27 -14 36 o 22.132  8.3359  111.109    60.931   91.932     89.385   127.756    83.279   19.324  8.7732  21.557  9.1506  -2.232384      12.67688 
1 1 1 -27 -14 37 o 30.489  8.4649  195.702    64.845   107.006    94.000   276.237    89.571   19.701  8.9645  32.293  10.210  -12.59160      13.58663 
1 1 1 -27 -14 38 f 22.839  10.030  194.009    107.025  -32.7523   267.913  237.068    116.745  ?       ?       24.013  10.513  0.000000       10.51268 
1 1 1 -27 -14 39 o 19.404  9.0309  117.706    103.267  52.589     269.158  128.946    111.825  ?       ?       19.557  9.1974  0.000000       9.197372 
1 1 1 -27 -14 40 o 25.342  8.7063  156.879    64.680   73.088     93.816   232.788    89.295   17.706  8.3563  27.255  10.125  -9.548704      13.12814 
1 1 1 -27 -14 41 o 17.355  7.5407  62.632     59.094   59.382     82.422   66.070     84.772   17.069  7.9850  17.343  8.1084  -0.2741299     11.38004 
1 1 1 -27 -14 42 o 17.481  7.6318  66.132     61.150   40.794     87.947   89.846     85.083   16.326  7.8139  18.270  8.3942  -1.944426      11.46817 
1 1 1 -27 -14 43 o 15.513  7.4234  23.453     79.294   -327.1239  296.547  50.448     82.290   ?       ?       16.576  7.8241  0.000000       7.824085 
1 1 1 -27 -14 44 o 16.038  7.6425  36.720     82.212   36.720     82.212   0.0000     0.0000   16.038  7.6425  ?       ?       0.000000       7.642508 
1 1 1 -27 -14 45 o 18.212  8.4856  93.265     91.581   93.265     91.581   0.0000     0.0000   18.212  8.4856  ?       ?       0.000000       8.485558 
1 1 1 -27 -14 46 o 15.028  7.2114  11.986     76.004   11.986     76.004   0.0000     0.0000   15.028  7.2114  ?       ?       0.000000       7.211427 
1 1 1 -27 -14 47 o 12.505  6.1821  -56.7836   68.930   -55.0748   84.591   -60.1608   118.919  13.531  6.7173  14.822  7.4471  -1.290898      10.02902 
1 1 1 -27 -14 48 o 16.464  7.7108  48.306     77.229   126.359    91.842   -140.1156  142.695  19.681  8.9186  ?       ?       0.000000       8.918591 
1 1 1 -27 -14 49 o 19.234  8.0815  94.305     63.897   76.700     89.889   112.285    90.845   17.465  8.2234  18.907  8.6818  -1.441782      11.95815 
1 1 1 -27 -14 50 o 12.653  6.1498  -24.7737   59.791   4.1862     83.492   -55.2615   85.666   14.774  7.2000  13.361  6.6535  1.412910       9.803531 
1 1 1 -27 -14 51 f 15.490  7.0608  42.520     58.650   -24.1000   78.834   125.100    87.771   13.614  6.7079  18.994  8.6504  -5.380518      10.94647 
1 1 1 -27 -14 52 o 16.674  8.0810  85.656     101.301  82.373     341.045  85.973     106.090  ?       ?       16.625  8.1052  0.000000       8.105198 
1 1 1 -27 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -13 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -13 5  o 19.104  6.2732  61.915     33.613   0.0000     0.0000   61.915     33.613   ?       ?       19.104  6.2732  0.000000       6.273201 
1 1 1 -27 -13 6  o 17.529  6.0768  50.148     31.545   55.591     65.815   48.525     35.942   17.947  7.8742  17.181  6.4157  0.7660904      10.15696 
1 1 1 -27 -13 7  o 17.062  7.3615  43.809     55.531   125.414    152.154  31.269     59.645   20.491  9.9240  16.355  7.3174  4.136183       12.33008 
1 1 1 -27 -13 8  o 25.045  7.3214  113.229    47.297   11.080     171.217  121.668    49.212   18.641  9.3028  25.861  7.4419  -7.219290      11.91318 
1 1 1 -27 -13 9  o 16.277  6.6570  37.942     41.756   18.886     91.571   42.945     46.918   17.258  8.1781  16.928  7.0039  0.3300247      10.76734 
1 1 1 -27 -13 10 o 23.168  7.6874  100.377    50.429   150.096    95.542   81.177     59.372   23.729  9.9205  20.475  8.0871  3.253355       12.79914 
1 1 1 -27 -13 11 o 13.387  6.2080  -7.9485    48.122   33.112     90.270   -24.2495   56.877   17.971  8.3903  13.468  6.4006  4.502074       10.55296 
1 1 1 -27 -13 12 o 23.354  7.7078  100.576    50.721   221.824    101.161  59.860     58.621   28.566  10.744  18.824  7.8119  9.741344       13.28412 
1 1 1 -27 -13 13 o 31.692  7.5250  173.610    57.002   124.798    111.644  190.821    66.293   22.199  9.9662  31.855  8.4413  -9.656118      13.06067 
1 1 1 -27 -13 14 f 14.898  6.9174  -2.9835    60.027   -123.9166  99.611   65.975     75.219   14.259  7.1125  19.542  8.4993  -5.283557      11.08263 
1 1 1 -27 -13 15 o 19.203  8.2942  60.500     70.649   -58.1847   127.546  113.034    84.857   17.129  8.4572  22.542  9.3805  -5.413212      12.63003 
1 1 1 -27 -13 16 o 39.780  7.1835  259.756    66.786   594.434    155.190  183.685    73.987   45.868  13.220  29.896  9.2528  15.97225       16.13636 
1 1 1 -27 -13 17 o 45.774  6.7304  331.949    72.520   279.876    191.608  340.655    78.349   25.215  11.913  45.379  7.3684  -20.16368      14.00761 
1 1 1 -27 -13 18 o 21.125  7.3622  77.323     46.331   43.207     69.754   104.255    61.976   18.195  8.0397  23.137  8.4630  -4.942114      11.67301 
1 1 1 -27 -13 19 o 20.144  7.5266  69.936     49.480   106.350    69.179   31.796     70.800   22.908  8.8206  17.585  7.9120  5.323582       11.84915 
1 1 1 -27 -13 20 o 22.602  8.4877  99.321     63.080   112.575    75.170   67.768     115.981  23.129  9.1109  20.326  9.4970  2.802437       13.16057 
1 1 1 -27 -13 21 f 20.041  9.1347  66.161     98.135   -208.1859  204.933  147.792    111.786  17.765  9.0178  23.768  10.349  -6.002596      13.72677 
1 1 1 -27 -13 22 o 15.879  7.7212  -45.9896   94.540   -417.8398  190.315  75.830     108.930  ?       ?       20.530  9.4566  0.000000       9.456601 
1 1 1 -27 -13 23 o 51.995  5.4695  395.170    67.970   345.279    88.713   466.088    105.769  43.426  8.7220  49.957  9.0591  -6.530968      12.57544 
1 1 1 -27 -13 24 o 36.559  7.3103  222.291    62.581   163.354    80.298   313.478    99.879   26.950  9.6646  37.492  10.540  -10.54169      14.30017 
1 1 1 -27 -13 25 f 23.737  7.9455  104.670    53.844   106.439    65.686   101.047    94.006   22.954  8.6531  21.574  9.4395  1.379765       12.80544 
1 1 1 -27 -13 26 o 12.046  5.8009  -41.8013   50.211   -82.0521   60.465   47.617     90.122   11.842  5.8423  18.836  8.6486  -6.994409      10.43695 
1 1 1 -27 -13 27 o 34.629  7.5247  205.616    61.420   196.537    76.380   222.230    103.323  30.486  9.3956  28.487  10.825  1.998835       14.33378 
1 1 1 -27 -13 28 o 11.146  5.4576  -61.7072   49.637   -67.4218   58.770   -47.4861   92.710   12.054  5.9098  15.478  7.5529  -3.424088      9.590227 
1 1 1 -27 -13 29 o 17.360  7.3231  44.274     52.803   73.478     62.436   -29.0739   98.949   19.831  8.1286  16.253  7.9024  3.577717       11.33676 
1 1 1 -27 -13 30 o 22.551  8.2709  102.524    59.251   144.465    72.288   16.665     103.429  25.376  9.1616  17.680  8.4652  7.695532       12.47370 
1 1 1 -27 -13 31 o 14.379  6.7860  -11.5276   61.873   -26.3896   67.971   60.326     149.455  14.252  6.8340  19.452  9.5128  -5.199462      11.71313 
1 1 1 -27 -13 32 o 31.804  9.1861  215.172    74.859   207.492    83.713   245.822    167.236  29.168  9.9065  23.367  11.067  5.800608       14.85301 
1 1 1 -27 -13 33 o 16.978  7.5368  39.935     61.991   50.678     67.443   -18.5804   157.397  17.781  7.8787  17.790  8.8844  -0.9286880E-02 11.87459 
1 1 1 -27 -13 34 o 17.137  7.4878  45.286     58.972   52.319     71.919   30.855     103.024  17.817  7.9990  17.567  8.4207  0.2508316      11.61431 
1 1 1 -27 -13 35 o 42.646  7.8409  334.176    78.144   277.515    105.431  403.252    116.409  29.831  11.018  37.267  11.618  -7.436127      16.01166 
1 1 1 -27 -13 36 o 22.900  8.8358  127.524    69.531   135.167    92.851   117.766    104.912  21.597  9.4171  20.277  9.3181  1.319340       13.24793 
1 1 1 -27 -13 37 o 34.875  8.8520  257.630    75.036   182.642    101.529  347.887    111.388  23.306  10.003  32.959  11.419  -9.653595      15.18123 
1 1 1 -27 -13 38 o 22.256  10.113  196.863    119.093  170.256    306.676  201.588    129.236  ?       ?       21.812  10.135  0.000000       10.13537 
1 1 1 -27 -13 39 o 27.136  11.214  307.258    120.079  0.0015     294.333  368.608    131.522  ?       ?       28.531  11.758  0.000000       11.75827 
1 1 1 -27 -13 40 o 26.063  8.9058  167.996    67.660   87.253     96.719   245.380    94.686   18.327  8.5979  27.371  10.372  -9.044325      13.47223 
1 1 1 -27 -13 41 o 24.536  8.9373  157.396    69.014   75.183     95.531   247.139    99.810   17.751  8.3943  26.210  10.443  -8.459244      13.39868 
1 1 1 -27 -13 42 o 18.782  8.0521  85.702     65.639   137.844    91.501   30.421     94.214   20.445  9.1113  16.185  7.8312  4.259602       12.01434 
1 1 1 -27 -13 43 o 14.481  7.0929  -17.0394   84.066   -17.0394   84.066   0.0000     0.0000   14.481  7.0929  ?       ?       0.000000       7.092898 
1 1 1 -27 -13 44 o 15.368  7.3905  16.408     80.805   16.408     80.805   0.0000     0.0000   15.368  7.3905  ?       ?       0.000000       7.390465 
1 1 1 -27 -13 45 o 15.106  7.3661  0.3475     87.763   0.3475     87.763   0.0000     0.0000   15.106  7.3661  ?       ?       0.000000       7.366117 
1 1 1 -27 -13 46 o 12.384  6.0885  -48.2206   63.778   14.609     82.877   -139.4638  99.874   15.416  7.4306  12.839  6.4936  2.576628       9.868156 
1 1 1 -27 -13 47 o 14.916  7.1363  9.2718     73.208   -12.3345   90.996   48.919     123.264  14.927  7.3256  16.991  8.3748  -2.063069      11.12660 
1 1 1 -27 -13 48 o 15.664  7.4182  28.052     75.127   27.177     91.592   29.849     131.336  16.007  7.7394  16.625  8.2726  -0.6179657     11.32841 
1 1 1 -27 -13 49 o 18.224  7.8895  79.356     64.223   151.515    83.510   -25.0982   100.475  21.619  9.1694  14.806  7.3449  6.813160       11.74840 
1 1 1 -27 -13 50 o 23.943  8.8965  159.113    68.943   95.248     94.753   230.964    100.502  17.933  8.4435  23.959  10.105  -6.026295      13.16815 
1 1 1 -27 -13 51 o 14.477  7.2877  -47.9471   116.860  109.112    297.943  -76.5015   127.039  ?       ?       14.341  7.2609  0.000000       7.260903 
1 1 1 -27 -13 52 o 15.033  7.4992  10.937     110.798  9.8945     310.382  11.089     118.613  ?       ?       15.141  7.5837  0.000000       7.583700 
1 1 1 -27 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -12 4  o 12.840  5.5802  11.882     32.374   0.0000     0.0000   11.882     32.374   ?       ?       12.840  5.5802  0.000000       5.580162 
1 1 1 -27 -12 5  o 19.398  5.9815  61.306     30.952   37.018     62.437   69.220     35.640   16.800  7.5039  20.184  6.4463  -3.384249      9.892617 
1 1 1 -27 -12 6  o 37.125  5.0771  202.182    44.536   270.433    85.574   176.829    52.155   34.992  9.7275  32.518  6.8275  2.473751       11.88444 
1 1 1 -27 -12 7  o 12.981  6.0500  -10.6740   46.609   -176.7041  146.004  8.1659     49.182   15.537  7.8576  14.374  6.5187  1.163765       10.20953 
1 1 1 -27 -12 8  o 20.475  7.0784  73.529     42.786   71.750     92.730   74.010     48.226   19.586  8.9088  20.216  7.4547  -0.6299915     11.61634 
1 1 1 -27 -12 9  o 15.776  6.6184  30.889     42.748   -111.6353  82.000   84.077     50.093   13.079  6.5125  21.368  7.6365  -8.288957      10.03640 
1 1 1 -27 -12 10 o 40.889  6.3029  260.791    60.524   210.066    110.788  282.369    72.260   26.728  10.877  40.601  7.6147  -13.87308      13.27755 
1 1 1 -27 -12 11 o 60.232  5.3310  528.154    77.107   493.343    135.068  544.984    93.913   43.363  12.280  58.416  6.7500  -15.05308      14.01304 
1 1 1 -27 -12 12 o 24.098  7.9153  107.189    53.512   130.166    104.670  99.058     62.263   22.906  9.9928  22.487  8.4349  0.4186192      13.07686 
1 1 1 -27 -12 13 o 14.128  6.3383  6.0620     45.075   18.219     99.492   2.9224     50.561   18.135  8.5730  14.467  6.5795  3.668436       10.80677 
1 1 1 -27 -12 14 o 17.912  7.9926  37.241     70.646   189.170    129.972  -26.4680   84.164   25.010  11.017  15.857  7.6038  9.152911       13.38605 
1 1 1 -27 -12 15 f 21.808  9.3795  98.507     89.588   0.0000     0.0000   98.507     89.588   ?       ?       21.808  9.3795  0.000000       9.379520 
1 1 1 -27 -12 16 o 16.504  6.7898  34.949     43.761   76.084     66.040   2.7477     58.431   20.582  8.3893  15.249  6.9876  5.332625       10.91825 
1 1 1 -27 -12 17 o 15.271  6.5086  22.487     42.439   28.085     63.986   18.091     56.707   17.147  7.6321  16.054  7.1624  1.092455       10.46658 
1 1 1 -27 -12 18 o 20.589  7.6072  72.888     50.268   35.218     76.606   101.373    66.616   18.175  8.1988  22.809  8.6861  -4.634083      11.94438 
1 1 1 -27 -12 19 o 21.084  7.9576  78.936     55.595   78.363     74.941   79.637     82.907   20.776  8.7421  20.855  8.9963  -0.7830620E-01 12.54418 
1 1 1 -27 -12 20 o 33.422  15.235  793.407    273.016  793.407    273.016  0.0000     0.0000   33.422  15.235  ?       ?       0.000000       15.23470 
1 1 1 -27 -12 21 o 17.964  8.4743  11.017     96.283   138.954    202.117  -26.5384   109.506  22.532  11.028  17.386  8.4202  5.145500       13.87534 
1 1 1 -27 -12 22 o 14.173  7.0395  -116.0241  93.399   42.102     199.239  -160.5591  105.736  20.879  10.356  14.201  7.1196  6.678793       12.56688 
1 1 1 -27 -12 23 o 8.0229  4.0523  -108.9996  37.910   -118.4458  43.489   -79.1064   77.364   8.6729  4.3757  13.748  6.7483  -5.075003      8.042814 
1 1 1 -27 -12 24 o 28.823  7.7857  145.729    55.735   205.604    68.842   31.828     94.951   33.580  8.4546  18.608  8.6600  14.97231       12.10273 
1 1 1 -27 -12 25 o 26.643  8.1825  131.524    57.988   129.560    71.652   135.254    98.720   24.890  9.1004  23.645  9.9958  1.244833       13.51786 
1 1 1 -27 -12 26 o 17.327  7.2855  40.873     51.989   83.375     61.886   -61.0607   95.840   21.101  8.2813  15.531  7.6001  5.570354       11.24015 
1 1 1 -27 -12 27 o 22.562  8.1460  96.667     57.151   77.448     70.983   132.087    96.361   20.383  8.5387  23.307  9.8655  -2.923965      13.04747 
1 1 1 -27 -12 28 o 44.437  13.671  611.961    161.784  495.845    201.021  825.457    272.578  30.424  13.536  32.047  14.831  -1.623161      20.07908 
1 1 1 -27 -12 29 o 31.839  8.9702  202.204    72.262   265.878    96.249   119.946    109.397  33.246  10.591  21.953  9.8598  11.29322       14.47012 
1 1 1 -27 -12 30 o 13.318  6.4442  -45.0892   63.796   4.5928     88.271   -99.4195   92.308   16.825  7.9892  14.131  7.0155  2.693413       10.63218 
1 1 1 -27 -12 31 o 15.521  7.3627  -7.9130    74.616   -16.6190   85.165   20.843     154.781  15.831  7.6067  18.915  9.3347  -3.083212      12.04153 
1 1 1 -27 -12 32 o 15.988  7.5494  2.9397     76.765   -30.9619   87.569   115.463    159.537  15.421  7.4829  20.638  10.034  -5.217856      12.51734 
1 1 1 -27 -12 33 o 37.653  10.193  324.271    95.406   358.265    111.241  229.708    185.532  36.387  11.359  22.353  10.857  14.03404       15.71348 
1 1 1 -27 -12 34 o 23.763  8.9660  131.568    70.564   207.591    93.075   28.804     108.213  27.238  10.292  17.741  8.5367  9.496418       13.37200 
1 1 1 -27 -12 35 o 14.914  7.0339  -0.7691    66.271   7.1509     84.261   -13.6132   107.305  16.156  7.7092  16.420  8.0366  -0.2642269     11.13636 
1 1 1 -27 -12 36 o 13.731  6.5667  -19.0244   61.846   -34.9385   77.214   9.4580     103.298  14.267  6.9467  16.738  8.1233  -2.470960      10.68852 
1 1 1 -27 -12 37 o 42.923  13.629  681.813    159.493  949.854    346.890  609.961    179.603  23.723  12.009  32.670  13.625  -8.947035      18.16243 
1 1 1 -27 -12 38 o 21.268  10.023  186.427    134.081  274.213    319.759  167.699    147.693  ?       ?       20.318  9.8244  0.000000       9.824401 
1 1 1 -27 -12 39 o 17.008  8.4007  24.445     126.295  -7.1281    312.836  30.593     138.044  ?       ?       17.265  8.5727  0.000000       8.572677 
1 1 1 -27 -12 40 o 27.511  9.4016  197.283    75.403   198.730    99.464   195.327    115.624  23.622  10.012  21.966  9.9747  1.656055       14.13297 
1 1 1 -27 -12 41 o 16.910  7.6964  53.264     69.342   33.608     90.158   81.730     108.497  16.379  7.8583  17.990  8.6284  -1.611008      11.67055 
1 1 1 -27 -12 42 o 16.643  7.8797  46.087     84.638   46.087     84.638   0.0000     0.0000   16.643  7.8797  ?       ?       0.000000       7.879654 
1 1 1 -27 -12 43 o 14.642  7.1774  -17.1865   86.593   -17.1865   86.593   0.0000     0.0000   14.642  7.1774  ?       ?       0.000000       7.177372 
1 1 1 -27 -12 44 o 18.155  8.4809  87.365     92.418   87.365     92.418   0.0000     0.0000   18.155  8.4809  ?       ?       0.000000       8.480874 
1 1 1 -27 -12 45 o 12.797  6.2415  -34.3216   63.100   -44.9334   84.098   -20.6512   95.451   13.812  6.8284  14.896  7.3474  -1.083426      10.03056 
1 1 1 -27 -12 46 o 12.310  6.0037  -37.8976   58.346   -43.0265   84.866   -33.3003   80.348   13.926  6.8799  13.942  6.8505  -0.1643276E-01 9.708853 
1 1 1 -27 -12 47 o 14.280  6.9000  -9.1915    72.540   22.492     90.751   -65.2552   120.719  15.968  7.7161  14.935  7.5037  1.032824       10.76304 
1 1 1 -27 -12 48 o 15.084  7.1634  15.498     71.009   50.799     83.962   -73.1833   133.077  16.772  7.9125  15.120  7.6315  1.652493       10.99304 
1 1 1 -27 -12 49 o 11.318  5.6061  -65.1662   57.712   -21.0895   82.518   -107.3697  80.746   14.261  6.9939  12.179  6.1214  2.081618       9.294363 
1 1 1 -27 -12 50 o 10.048  5.0400  -93.4420   53.290   -15.6991   72.348   -185.6459  78.790   13.789  6.7162  ?       ?       0.000000       6.716154 
1 1 1 -27 -12 51 o 17.373  8.5349  103.628    124.573  -231.2443  310.384  167.928    136.008  ?       ?       18.551  9.0727  0.000000       9.072704 
1 1 1 -27 -12 52 o 15.580  7.7354  37.454     112.343  -105.6784  308.963  59.262     120.598  ?       ?       16.033  7.9696  0.000000       7.969639 
1 1 1 -27 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -11 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -11 4  o 17.781  6.1342  51.284     32.125   0.0000     0.0000   51.284     32.125   ?       ?       17.781  6.1342  0.000000       6.134185 
1 1 1 -27 -11 5  o 21.103  6.1956  72.850     33.805   110.677    68.016   60.440     38.957   22.486  8.7214  18.865  6.7353  3.620659       11.01938 
1 1 1 -27 -11 6  o 24.553  8.3590  121.410    59.605   144.968    124.371  114.386    67.912   22.207  10.183  23.012  8.7685  -0.8043900     13.43799 
1 1 1 -27 -11 7  o 15.950  6.6149  33.191     41.996   10.893     154.965  34.958     43.628   18.905  9.3318  16.202  6.7327  2.703081       11.50701 
1 1 1 -27 -11 8  o 16.603  6.5727  39.990     39.300   -63.2774   81.516   71.262     44.858   14.317  7.0067  20.243  7.2273  -5.925723      10.06612 
1 1 1 -27 -11 9  o 38.544  6.1285  228.161    55.398   272.388    108.736  212.657    64.380   31.754  11.261  34.940  7.7923  -3.185801      13.69445 
1 1 1 -27 -11 10 o 21.441  7.4259  80.648     47.101   41.964     97.608   92.390     53.777   18.922  8.7976  22.376  7.9213  -3.454580      11.83824 
1 1 1 -27 -11 11 o 20.831  7.7865  77.148     52.968   179.323    101.309  38.711     62.137   26.289  10.506  17.638  7.6969  8.651213       13.02379 
1 1 1 -27 -11 12 o 28.247  8.1816  145.570    59.308   188.290    112.827  129.259    69.716   26.140  10.842  25.144  9.0065  0.9964485      14.09485 
1 1 1 -27 -11 13 o 12.899  6.2339  -50.5292   59.293   -280.4385  179.350  -22.3173   62.826   16.422  8.3458  14.420  6.8155  2.001922       10.77509 
1 1 1 -27 -11 14 o 25.355  8.3149  119.720    59.061   185.821    76.309   20.970     93.270   30.275  9.4012  18.263  8.5275  12.01221       12.69254 
1 1 1 -27 -11 15 o 17.022  7.3101  33.070     54.267   33.007     70.951   33.160     84.237   17.886  7.9933  18.468  8.4354  -0.5821400     11.62103 
1 1 1 -27 -11 16 o 27.919  7.4749  131.762    51.644   247.434    75.923   32.152     70.455   37.137  8.5957  17.842  7.9700  19.29515       11.72206 
1 1 1 -27 -11 17 o 53.086  5.0133  396.490    63.811   390.190    91.514   402.452    89.023   47.725  8.1982  49.317  7.6902  -1.592701      11.24055 
1 1 1 -27 -11 18 o 34.363  7.5595  196.336    61.318   113.215    89.509   269.835    84.169   23.108  9.6265  37.816  9.2495  -14.70843      13.34999 
1 1 1 -27 -11 19 o 36.124  6.6690  203.330    56.301   195.676    74.575   213.474    85.855   31.835  9.1610  31.757  9.9901  0.7829475E-01  13.55459 
1 1 1 -27 -11 20 o 28.285  10.962  205.798    107.381  171.611    239.194  214.426    120.171  23.253  11.500  27.697  11.306  -4.444008      16.12679 
1 1 1 -27 -11 21 o 30.121  13.894  515.436    236.304  515.436    236.304  0.0000     0.0000   30.121  13.894  ?       ?       0.000000       13.89371 
1 1 1 -27 -11 22 o 26.882  10.126  166.158    89.913   -249.8753  224.214  245.881    98.150   18.258  9.2839  32.627  10.720  -14.36884      14.18128 
1 1 1 -27 -11 23 o 16.983  7.1812  34.917     50.974   53.033     61.464   -4.9925    91.227   18.851  7.9237  17.222  8.1614  1.628897       11.37509 
1 1 1 -27 -11 24 o 21.478  8.2095  83.810     59.643   71.568     79.326   99.731     90.464   20.380  8.7956  22.061  9.4551  -1.681501      12.91360 
1 1 1 -27 -11 25 o 30.484  8.5723  173.105    66.058   197.423    90.117   144.862    97.117   29.223  10.263  24.561  10.111  4.661621       14.40692 
1 1 1 -27 -11 26 o 28.073  8.6719  151.618    65.024   142.735    86.125   163.395    99.164   24.966  9.7776  25.526  10.326  -0.5596542     14.22053 
1 1 1 -27 -11 27 o 19.853  8.2173  68.387     64.618   28.554     86.476   118.746    97.232   18.091  8.3657  22.703  9.7683  -4.612532      12.86094 
1 1 1 -27 -11 28 o 32.182  8.7983  198.952    70.673   141.850    97.843   261.242    102.191  23.890  10.017  32.255  10.945  -8.364088      14.83736 
1 1 1 -27 -11 29 o 48.801  6.9154  384.626    79.595   363.431    109.575  408.303    115.812  39.353  11.031  41.682  11.208  -2.329586      15.72611 
1 1 1 -27 -11 30 o 27.481  9.1120  159.640    70.854   210.250    92.099   86.245     110.910  29.047  10.357  20.534  9.4879  8.512684       14.04621 
1 1 1 -27 -11 31 o 24.888  9.7354  152.391    85.305   162.509    97.767   120.118    174.608  24.567  10.133  21.089  10.307  3.478481       14.45339 
1 1 1 -27 -11 32 o 36.981  10.605  323.317    100.098  306.136    117.646  368.370    190.510  31.548  11.641  26.074  12.179  5.474295       16.84774 
1 1 1 -27 -11 33 o 20.925  8.6769  94.464     72.239   100.455    95.673   86.519     110.179  20.694  9.2627  19.968  9.3051  0.7258892      13.12946 
1 1 1 -27 -11 34 o 17.652  7.8802  47.116     68.763   25.732     88.556   79.586     109.124  17.217  8.1235  19.507  9.1456  -2.290380      12.23243 
1 1 1 -27 -11 35 o 15.422  7.2136  7.9616     67.230   -41.4278   87.220   80.265     105.531  14.853  7.2646  19.318  9.0366  -4.464707      11.59457 
1 1 1 -27 -11 36 o 14.846  7.0082  -0.8869    66.058   -13.3301   86.700   16.333     101.992  15.524  7.5118  16.980  8.1990  -1.455697      11.11983 
1 1 1 -27 -11 37 o 149.152 10.603  5317.07    381.213  8374.51    639.161  3628.96    474.934  92.330  26.892  42.177  19.539  50.15301       33.24126 
1 1 1 -27 -11 38 o 22.500  10.306  207.001    126.903  -175.9076  326.518  275.132    137.730  ?       ?       24.306  10.976  0.000000       10.97635 
1 1 1 -27 -11 39 o 28.960  9.5340  212.272    77.620   226.689    103.221  193.510    117.751  25.348  10.428  22.194  10.073  3.154535       14.49897 
1 1 1 -27 -11 40 o 22.005  8.8693  129.747    72.876   62.618     92.401   240.223    118.537  17.615  8.3071  23.856  10.514  -6.241674      13.39974 
1 1 1 -27 -11 41 o 18.930  8.7482  100.147    94.352   100.147    94.352   0.0000     0.0000   18.930  8.7482  ?       ?       0.000000       8.748230 
1 1 1 -27 -11 42 o 21.000  9.3952  152.804    98.302   152.804    98.302   0.0000     0.0000   21.000  9.3952  ?       ?       0.000000       9.395181 
1 1 1 -27 -11 43 o 14.868  7.2209  -4.6573    81.997   -4.6573    81.997   0.0000     0.0000   14.868  7.2209  ?       ?       0.000000       7.220876 
1 1 1 -27 -11 44 o 15.667  7.6081  12.321     90.982   200.352    275.883  -10.6240   96.373   ?       ?       15.215  7.4812  0.000000       7.481240 
1 1 1 -27 -11 45 o 12.257  6.0077  -45.7413   60.616   -66.4246   86.313   -25.6137   85.146   13.481  6.7075  14.410  7.0746  -0.9295025     9.748843 
1 1 1 -27 -11 46 o 18.264  8.2778  80.850     79.154   125.234    98.888   1.7009     132.055  19.729  9.0588  16.359  8.1648  3.369986       12.19533 
1 1 1 -27 -11 47 o 17.564  8.0107  66.071     75.615   72.477     89.267   49.800     142.270  17.772  8.3129  17.291  8.6045  0.4819031      11.96419 
1 1 1 -27 -11 48 o 16.131  7.2912  42.306     60.934   18.852     85.199   66.865     87.184   15.708  7.5622  17.475  8.1868  -1.766759      11.14501 
1 1 1 -27 -11 49 o 13.548  6.4903  -8.4342    60.980   18.532     86.986   -34.4935   85.510   15.615  7.5477  14.078  6.9460  1.536903       10.25737 
1 1 1 -27 -11 50 o 18.178  7.9048  81.096     65.045   31.535     90.501   134.053    93.550   15.882  7.6822  19.694  8.9542  -3.812164      11.79800 
1 1 1 -27 -11 51 o 17.606  8.5720  108.606    117.547  179.989    336.400  98.678     125.455  ?       ?       17.274  8.5019  0.000000       8.501875 
1 1 1 -27 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -10 3  o 15.388  6.3245  31.479     37.923   0.0000     0.0000   31.479     37.923   ?       ?       15.388  6.3245  0.000000       6.324503 
1 1 1 -27 -10 4  o 16.115  5.8549  39.130     29.590   92.859     60.420   22.177     33.939   21.449  8.2474  14.203  5.9233  7.245708       10.15401 
1 1 1 -27 -10 5  o 18.826  7.0623  60.089     43.649   107.200    71.773   32.439     54.986   22.250  8.8588  16.532  7.2267  5.717802       11.43253 
1 1 1 -27 -10 6  o 19.302  7.7458  65.149     55.318   196.261    117.246  27.604     62.741   25.332  10.808  16.703  7.4868  8.629538       13.14785 
1 1 1 -27 -10 7  o 8.6966  4.2797  -53.3081   31.755   -67.2670   74.864   -50.2456   35.066   13.712  6.7116  9.4312  4.6114  4.281012       8.143088 
1 1 1 -27 -10 8  o 26.580  7.5298  123.559    50.774   313.039    105.757  66.802     57.881   36.106  11.044  19.652  7.9101  16.45473       13.58441 
1 1 1 -27 -10 9  o 17.794  6.8986  48.271     42.543   40.137     96.369   50.240     47.414   18.935  8.7824  18.094  7.2015  0.8404751      11.35745 
1 1 1 -27 -10 10 o 15.703  6.5815  27.584     42.204   4.3233     97.391   32.962     46.829   17.731  8.4115  16.497  6.9243  1.234577       10.89493 
1 1 1 -27 -10 11 o 25.126  8.4930  120.058    61.526   -97.1706   190.823  145.260    64.997   18.888  9.4828  27.532  8.6962  -8.643530      12.86653 
1 1 1 -27 -10 12 o 38.262  6.0102  219.139    53.959   175.071    78.096   259.396    74.642   29.015  9.5637  38.653  8.2120  -9.637360      12.60561 
1 1 1 -27 -10 13 o 18.228  7.5682  46.934     55.058   65.037     72.119   21.642     85.243   20.010  8.5054  18.056  8.3341  1.953951       11.90798 
1 1 1 -27 -10 14 o 28.893  8.8635  158.900    68.064   220.062    80.870   10.338     126.038  33.397  9.5176  19.278  9.2605  14.11817       13.27936 
1 1 1 -27 -10 15 o 21.952  7.7030  83.083     50.761   109.097    73.220   59.010     70.436   23.504  9.0676  19.653  8.3808  3.850996       12.34746 
1 1 1 -27 -10 16 o 21.580  7.6320  79.377     49.908   102.151    71.854   58.147     69.374   23.002  8.9522  19.595  8.3358  3.406757       12.23224 
1 1 1 -27 -10 17 o 21.218  7.8071  76.971     52.853   38.855     72.826   119.387    76.825   18.490  8.1904  24.266  9.3072  -5.776062      12.39778 
1 1 1 -27 -10 18 o 16.870  7.0444  33.995     48.090   10.137     62.873   67.632     74.654   16.238  7.3666  20.369  8.6558  -4.131241      11.36619 
1 1 1 -27 -10 19 o 21.072  7.8702  75.822     54.092   63.014     64.266   106.945    100.176  19.882  8.2092  22.747  9.8506  -2.864996      12.82288 
1 1 1 -27 -10 20 o 20.479  9.1213  65.016     91.562   353.594    226.237  8.4900     100.128  27.229  12.889  18.344  8.6501  8.884344       15.52233 
1 1 1 -27 -10 21 o 21.921  9.9466  91.897     114.692  0.0000     0.0000   91.897     114.692  ?       ?       21.921  9.9466  0.000000       9.946599 
1 1 1 -27 -10 22 o 22.199  8.3874  89.773     61.805   136.608    82.592   30.171     93.172   25.281  9.6611  18.845  8.7034  6.436190       13.00334 
1 1 1 -27 -10 23 o 44.303  6.8363  306.889    71.125   335.549    97.291   273.989    104.239  41.496  9.8163  34.279  11.033  7.217487       14.76748 
1 1 1 -27 -10 24 o 23.865  8.6533  109.106    64.591   74.208     86.764   152.491    96.741   20.742  9.0721  25.418  10.228  -4.675823      13.67170 
1 1 1 -27 -10 25 o 27.341  8.7097  142.899    65.092   84.670     86.539   218.764    98.778   21.272  9.1837  30.131  10.728  -8.859083      14.12219 
1 1 1 -27 -10 26 f 24.457  8.8263  118.576    67.085   236.789    90.593   -24.9508   99.823   32.882  10.249  16.974  8.1753  15.90754       13.11004 
1 1 1 -27 -10 27 o 22.272  8.6295  96.210     66.536   71.537     90.538   125.180    98.108   20.356  9.0681  23.229  9.8981  -2.873337      13.42401 
1 1 1 -27 -10 28 o 17.904  7.8137  41.513     64.052   17.888     83.318   75.653     100.156  17.502  8.1342  20.505  9.3007  -3.003826      12.35591 
1 1 1 -27 -10 29 o 41.399  7.7381  292.606    74.872   257.616    99.108   339.124    114.273  32.497  10.777  36.401  11.534  -3.903500      15.78535 
1 1 1 -27 -10 30 o 15.752  7.4303  -6.7822    74.003   -92.6749   84.287   282.178    154.598  13.804  6.8265  26.807  11.901  -13.00294      13.71980 
1 1 1 -27 -10 31 o 29.233  10.515  218.921    95.128   196.018    110.798  283.152    185.545  25.779  10.722  24.722  11.693  1.056728       15.86503 
1 1 1 -27 -10 32 o 20.299  8.9228  84.396     84.863   82.755     96.263   90.119     179.781  20.158  9.1329  20.442  10.083  -0.2840405     13.60440 
1 1 1 -27 -10 33 o 16.393  7.4699  23.585     65.566   -34.6450   87.247   99.141     99.383   15.322  7.4427  20.689  9.3351  -5.366911      11.93892 
1 1 1 -27 -10 34 o 13.243  6.4357  -46.7860   65.428   -39.7706   85.344   -56.7872   101.899  14.948  7.2838  15.432  7.6081  -0.4838667     10.53264 
1 1 1 -27 -10 35 o 13.791  6.6440  -30.5326   66.039   -57.9544   85.533   9.9410     103.914  14.352  7.0550  17.091  8.2582  -2.739123      10.86148 
1 1 1 -27 -10 36 o 27.491  9.3295  178.829    74.246   214.721    98.886   132.449    112.409  26.550  10.453  21.065  9.6672  5.485188       14.23774 
1 1 1 -27 -10 37 o 81.623  10.738  1584.83    207.508  2906.28    411.243  1133.45    240.349  45.422  19.812  41.186  16.270  4.236263       25.63636 
1 1 1 -27 -10 38 o 14.872  7.4976  -118.1024  126.345  -101.9120  298.277  -121.6425  139.475  ?       ?       15.296  7.7308  0.000000       7.730780 
1 1 1 -27 -10 39 o 22.251  8.8625  127.642    71.858   133.583    91.085   117.849    116.934  21.155  9.2728  19.563  9.2617  1.592009       13.10592 
1 1 1 -27 -10 40 o 15.664  7.6063  2.6460     90.900   2.6460     90.900   0.0000     0.0000   15.664  7.6063  ?       ?       0.000000       7.606341 
1 1 1 -27 -10 41 o 19.054  8.8040  101.912    95.486   101.912    95.486   0.0000     0.0000   19.054  8.8040  ?       ?       0.000000       8.803991 
1 1 1 -27 -10 42 o 17.586  8.3715  66.430     98.108   66.430     98.108   0.0000     0.0000   17.586  8.3715  ?       ?       0.000000       8.371494 
1 1 1 -27 -10 43 o 19.693  9.0120  122.073    96.747   -154.1546  340.291  146.365    100.911  ?       ?       20.571  9.3325  0.000000       9.332524 
1 1 1 -27 -10 44 o 14.252  6.6945  7.4326     58.957   -30.8347   82.868   46.655     83.896   14.195  6.9711  16.740  7.9010  -2.545200      10.53668 
1 1 1 -27 -10 45 o 24.150  8.9132  151.710    68.973   173.715    97.074   129.274    98.018   22.230  9.6618  19.973  9.1137  2.257069       13.28190 
1 1 1 -27 -10 46 o 14.731  7.0707  0.0028     73.178   29.661     85.882   -78.5927   139.807  16.220  7.7518  15.406  7.7815  0.8138962      10.98373 
1 1 1 -27 -10 47 o 19.054  8.4309  92.944     76.957   156.594    92.544   -49.7360   138.557  21.749  9.4432  15.754  7.9312  5.994809       12.33193 
1 1 1 -27 -10 48 o 14.723  6.9119  13.660     62.699   -36.7780   87.788   66.176     89.578   14.261  7.0365  17.490  8.2275  -3.229599      10.82609 
1 1 1 -27 -10 49 o 10.659  5.3448  -98.9057   59.685   -57.5579   83.404   -142.3056  85.448   13.432  6.6683  11.915  6.0246  1.516520       8.986748 
1 1 1 -27 -10 50 o 14.813  7.3922  -31.8074   108.071  210.642    297.747  -68.5944   115.981  ?       ?       14.430  7.2632  0.000000       7.263229 
1 1 1 -27 -10 51 o 13.841  6.9580  -65.8520   104.590  -142.3277  295.969  -54.9391   111.803  ?       ?       14.256  7.1700  0.000000       7.170016 
1 1 1 -27 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -9  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -9  3  o 12.494  5.2463  13.223     26.900   7.8355     69.757   14.164     29.155   15.897  7.4065  12.878  5.4374  3.019120       9.188114 
1 1 1 -27 -9  4  o 41.690  4.7819  247.010    47.498   231.865    88.140   253.208    56.386   31.520  10.145  40.807  5.8631  -9.287271      11.71737 
1 1 1 -27 -9  5  o 15.787  6.7772  27.283     46.614   -56.8835   105.200  47.845     51.997   16.024  7.8663  17.783  7.3666  -1.758739      10.77710 
1 1 1 -27 -9  6  o 9.1408  4.4783  -51.0338   33.565   194.358    110.002  -76.2263   35.246   26.251  10.778  8.4855  4.2324  17.76520       11.57942 
1 1 1 -27 -9  7  o 32.345  6.2792  161.975    47.503   200.741    103.317  151.584    53.493   27.575  10.734  29.888  7.4124  -2.313574      13.04461 
1 1 1 -27 -9  8  o 45.423  5.3615  298.344    57.952   265.268    114.419  309.757    67.211   31.141  11.483  44.937  6.3403  -13.79601      13.11681 
1 1 1 -27 -9  9  o 15.551  6.4798  26.776     40.568   67.339     96.028   17.964     44.758   20.350  9.1797  15.118  6.5656  5.231582       11.28603 
1 1 1 -27 -9  10 o 25.848  6.7241  107.101    42.573   216.923    67.058   32.948     55.102   35.589  7.9645  17.087  7.3526  18.50166       10.83948 
1 1 1 -27 -9  11 o 24.782  7.4328  104.196    48.245   245.211    69.078   -30.0921   67.410   38.432  7.6763  14.629  6.9569  23.80253       10.35977 
1 1 1 -27 -9  12 o 46.548  9.1131  393.314    99.245   357.808    124.253  455.884    164.945  37.654  12.038  36.711  13.737  0.9433784      18.26492 
1 1 1 -27 -9  13 o 42.200  8.0287  299.613    79.206   300.591    96.159   297.549    139.683  38.674  10.128  31.160  12.373  7.513964       15.98967 
1 1 1 -27 -9  14 o 17.453  7.6778  29.382     62.941   23.432     73.962   45.005     119.848  17.737  8.0235  20.354  9.5558  -2.617107      12.47753 
1 1 1 -27 -9  15 o 10.272  5.0355  -63.7633   42.621   23.196     64.791   -130.0947  56.587   17.200  7.6660  10.301  5.1706  6.898579       9.246774 
1 1 1 -27 -9  16 o 8.7885  4.4297  -119.1673  43.948   -117.3304  67.382   -120.5272  57.977   11.917  5.9288  10.715  5.3573  1.201455       7.990712 
1 1 1 -27 -9  17 o 17.442  7.3363  36.638     52.747   46.615     72.188   25.209     77.262   19.052  8.3055  18.063  8.1830  0.9895496      11.65951 
1 1 1 -27 -9  18 o 36.698  7.3710  216.869    63.356   217.009    89.197   216.727    90.006   32.121  10.192  31.970  10.248  0.1507854      14.45301 
1 1 1 -27 -9  19 o 20.890  9.1526  70.602     88.651   129.550    219.368  59.096     96.917   23.277  11.413  20.457  9.2255  2.820242       14.67548 
1 1 1 -27 -9  20 o 18.540  8.5249  24.422     87.988   18.034     222.346  25.608     95.809   21.574  10.740  18.932  8.7724  2.642347       13.86696 
1 1 1 -27 -9  21 o 15.299  7.2965  -33.3717   75.279   145.492    226.256  -55.6363   79.826   23.443  11.514  14.908  7.2120  8.535567       13.58623 
1 1 1 -27 -9  22 o 16.699  7.4066  21.006     59.743   77.707     80.311   -49.2485   89.395   21.145  8.9815  15.839  7.6550  5.306128       11.80114 
1 1 1 -27 -9  23 o 46.416  6.8774  335.842    75.112   378.893    102.036  284.920    110.974  44.712  9.6853  34.318  11.405  10.39401       14.96241 
1 1 1 -27 -9  24 o 39.025  9.2451  283.938    86.198   325.115    99.409   159.165    173.045  40.151  10.187  23.766  11.256  16.38480       15.18181 
1 1 1 -27 -9  25 o 16.396  7.3653  16.335     61.076   28.142     84.530   3.4392     88.345   18.346  8.4059  17.479  8.2055  0.8669586      11.74694 
1 1 1 -27 -9  26 o 25.918  9.1735  136.560    72.120   128.854    102.532  144.105    101.463  23.610  10.091  24.549  10.240  -0.9384727     14.37654 
1 1 1 -27 -9  27 o 34.200  8.7451  216.385    72.854   255.022    104.990  180.504    101.177  32.038  11.087  26.781  10.564  5.256750       15.31402 
1 1 1 -27 -9  28 o 51.306  6.0392  396.184    73.742   382.644    101.024  411.627    107.889  44.238  9.6806  45.103  10.109  -0.8648300     13.99631 
1 1 1 -27 -9  29 o 27.624  8.7755  150.327    66.115   108.255    86.855   208.294    101.950  22.336  9.4056  28.233  10.747  -5.896744      14.28161 
1 1 1 -27 -9  30 o 11.538  5.7089  -88.4133   59.263   -62.6479   66.113   -193.7738  133.692  13.069  6.3774  15.163  7.6529  -2.094302      9.961890 
1 1 1 -27 -9  31 o 22.035  8.9033  102.548    73.632   66.142     83.868   224.974    153.797  19.549  8.7169  24.586  11.292  -5.036888      14.26525 
1 1 1 -27 -9  32 o 39.321  9.1322  303.745    85.460   349.788    100.718  185.364    161.496  39.765  10.341  22.796  10.819  16.96872       14.96669 
1 1 1 -27 -9  33 o 15.680  7.1627  14.837     60.752   13.403     74.592   17.663     104.704  16.396  7.6458  17.737  8.4990  -1.341038      11.43204 
1 1 1 -27 -9  34 o 12.827  6.2102  -43.3055   59.461   -51.4410   72.281   -26.2746   104.580  13.705  6.6834  16.346  7.9861  -2.640903      10.41379 
1 1 1 -27 -9  35 o 24.830  8.6593  133.551    64.099   159.557    77.870   78.895     112.889  25.500  9.4589  19.438  9.1717  6.061302       13.17535 
1 1 1 -27 -9  36 o 17.047  8.3606  -2.5388    117.944  33.198     273.813  -10.6800   130.689  ?       ?       17.197  8.5038  0.000000       8.503780 
1 1 1 -27 -9  37 o 36.639  13.276  538.831    152.002  1423.82    342.513  321.793    169.620  29.838  14.551  24.156  11.350  5.681654       18.45368 
1 1 1 -27 -9  38 o 16.978  8.2827  17.485     111.298  -189.9433  283.807  55.182     120.989  ?       ?       18.068  8.7740  0.000000       8.773961 
1 1 1 -27 -9  39 o 15.145  7.1333  10.372     67.739   10.372     67.739   0.0000     0.0000   15.145  7.1333  ?       ?       0.000000       7.133278 
1 1 1 -27 -9  40 o 18.424  8.2504  76.345     75.998   76.345     75.998   0.0000     0.0000   18.424  8.2504  ?       ?       0.000000       8.250397 
1 1 1 -27 -9  41 o 21.296  8.8586  124.015    75.641   124.015    75.641   0.0000     0.0000   21.296  8.8586  ?       ?       0.000000       8.858620 
1 1 1 -27 -9  42 o 15.034  6.9314  21.801     58.718   42.790     69.298   -31.6300   110.567  16.452  7.5648  15.354  7.6321  1.097118       10.74596 
1 1 1 -27 -9  43 f 20.322  9.1513  132.179    94.949   345.189    281.055  104.736    100.880  ?       ?       18.939  8.8516  0.000000       8.851560 
1 1 1 -27 -9  44 o 17.571  7.6704  63.198     61.758   58.989     81.738   68.797     94.276   17.291  8.0433  17.686  8.3561  -0.3948517     11.59820 
1 1 1 -27 -9  45 o 17.472  7.6650  61.461     62.352   197.467    86.609   -84.8807   89.839   25.254  9.8286  13.372  6.6831  11.88230       11.88553 
1 1 1 -27 -9  46 f 20.439  8.9787  122.630    85.808   223.016    105.848  -69.8158   146.554  24.284  10.313  15.744  7.9542  8.539731       13.02397 
1 1 1 -27 -9  47 o 21.165  9.0642  132.536    83.023   113.973    101.826  169.352    143.397  19.336  8.9886  19.854  9.6203  -0.5182381     13.16608 
1 1 1 -27 -9  48 o 13.685  6.5184  -6.0546    59.670   -6.2769    81.653   -5.7999    87.415   14.846  7.2089  15.088  7.3562  -0.2423754     10.29958 
1 1 1 -27 -9  49 o 23.383  8.6789  141.161    65.578   98.154     89.896   190.077    95.874   18.610  8.5789  22.897  9.7714  -4.287107      13.00301 
1 1 1 -27 -9  50 o 19.087  9.2027  157.633    127.353  0.0000     0.0000   157.633    127.353  ?       ?       19.087  9.2027  0.000000       9.202705 
1 1 1 -27 -9  51 o 16.026  8.0104  35.412     129.203  0.0000     0.0000   35.412     129.203  ?       ?       16.026  8.0104  0.000000       8.010375 
1 1 1 -27 -8  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -8  2  o 11.521  5.1095  1.7315     28.425   0.0000     0.0000   1.7315     28.425   ?       ?       11.521  5.1095  0.000000       5.109473 
1 1 1 -27 -8  3  o 19.950  6.1326  63.686     32.564   86.614     57.702   52.971     39.446   21.273  8.0882  18.113  6.7296  3.159491       10.52169 
1 1 1 -27 -8  4  o 18.141  6.9420  52.534     42.680   -45.7010   66.829   120.200    55.465   13.690  6.6169  25.363  8.0356  -11.67330      10.40934 
1 1 1 -27 -8  5  o 13.625  6.1961  -0.7801    44.820   -71.5538   106.346  14.506     49.424   15.895  7.8240  15.125  6.7212  0.7699318      10.31456 
1 1 1 -27 -8  6  o 43.510  5.0721  269.791    52.543   353.368    98.523   236.573    62.113   42.061  9.8304  38.451  6.9114  3.609158       12.01682 
1 1 1 -27 -8  7  o 29.225  6.7390  136.400    46.810   54.173     100.350  159.267    52.920   19.801  9.1044  31.181  7.1474  -11.38009      11.57478 
1 1 1 -27 -8  8  f 22.687  6.6968  83.103     39.402   113.182    62.477   63.239     50.771   24.394  8.5466  19.642  7.5582  4.752224       11.40929 
1 1 1 -27 -8  9  o 21.055  6.8990  72.066     40.662   38.139     64.918   93.969     52.161   18.017  7.8646  23.123  7.8199  -5.106049      11.09068 
1 1 1 -27 -8  10 o 38.988  5.7042  221.952    52.366   234.230    78.243   211.989    70.479   35.543  9.0488  34.603  8.4640  0.9399109      12.39035 
1 1 1 -27 -8  11 o 21.735  7.5589  79.755     48.827   169.463    71.498   1.3541     66.840   29.777  9.0751  16.103  7.4139  13.67331       11.71848 
1 1 1 -27 -8  12 o 16.821  7.4937  20.075     61.835   68.849     72.298   -112.8070  119.334  20.532  8.6100  16.265  8.0575  4.266891       11.79219 
1 1 1 -27 -8  13 o 13.415  6.4206  -42.3339   59.371   -63.8952   68.865   20.094     117.178  13.641  6.6232  19.576  9.2690  -5.934775      11.39214 
1 1 1 -27 -8  14 o 18.046  7.4081  43.656     51.954   -10.8567   73.968   96.734     72.989   16.171  7.5649  22.768  8.9749  -6.597141      11.73783 
1 1 1 -27 -8  15 o 16.800  7.0401  31.741     48.279   26.645     70.115   36.335     66.576   17.819  7.9559  18.221  7.9589  -0.4025497     11.25343 
1 1 1 -27 -8  16 o 23.431  8.0228  95.588     54.910   106.136    71.697   80.624     85.394   23.668  9.0117  21.574  9.2148  2.093370       12.88887 
1 1 1 -27 -8  17 o 18.696  7.7898  47.630     58.623   12.866     80.786   86.299     85.201   17.749  8.1637  21.941  9.2815  -4.192606      12.36095 
1 1 1 -27 -8  18 o 40.620  7.6812  268.338    72.933   277.434    96.594   256.276    111.233  36.890  10.363  32.569  11.404  4.321075       15.40953 
1 1 1 -27 -8  19 o 21.565  9.3269  80.030     89.584   35.136     220.413  88.914     98.048   22.014  10.914  22.107  9.6572  -0.9267426E-01 14.57288 
1 1 1 -27 -8  20 o 19.648  8.8649  44.549     89.609   3.3089     224.890  52.332     97.700   21.587  10.755  20.262  9.1885  1.325871       14.14564 
1 1 1 -27 -8  21 o 28.699  8.3552  146.345    61.710   144.461    90.898   147.955    84.047   25.768  10.058  26.511  9.8283  -0.7427711     14.06253 
1 1 1 -27 -8  22 o 12.771  6.0494  -31.3844   50.017   -81.0338   67.815   27.845     74.069   12.978  6.3596  18.049  8.1092  -5.071082      10.30554 
1 1 1 -27 -8  23 o 18.004  7.5757  41.540     56.282   15.397     77.134   71.306     82.306   17.540  8.0343  20.811  8.9705  -3.270405      12.04237 
1 1 1 -27 -8  24 o 29.893  8.3203  158.898    62.566   136.840    82.329   189.050    96.258   25.469  9.6666  28.547  10.531  -3.078209      14.29489 
1 1 1 -27 -8  25 o 25.979  8.5001  125.255    61.733   55.990     81.506   218.453    94.545   19.751  8.7109  31.109  10.528  -11.35822      13.66453 
1 1 1 -27 -8  26 o 17.177  7.4529  31.656     57.566   102.281    74.736   -71.3713   90.267   22.802  9.0520  15.154  7.4074  7.647614       11.69648 
1 1 1 -27 -8  27 o 22.143  8.3572  90.624     61.316   109.067    79.924   64.240     95.593   23.027  9.2858  20.269  9.1496  2.758158       13.03616 
1 1 1 -27 -8  28 o 34.329  8.0227  205.237    65.625   172.005    84.525   255.669    104.125  27.697  9.9175  32.136  11.046  -4.439146      14.84498 
1 1 1 -27 -8  29 o 44.399  6.8247  312.942    71.169   282.131    95.657   351.144    106.513  35.848  10.393  39.787  10.770  -3.938534      14.96647 
1 1 1 -27 -8  30 o 13.695  6.5950  -42.0944   64.921   -52.5202   72.757   -1.3634    143.809  14.047  6.8173  18.884  9.2556  -4.837463      11.49527 
1 1 1 -27 -8  31 o 21.676  8.8215  96.689     72.872   196.044    84.182   -200.3604  145.558  29.196  9.9340  15.583  7.8776  13.61286       12.67840 
1 1 1 -27 -8  32 o 23.232  8.5482  110.401    63.364   51.767     81.076   202.417    101.567  18.653  8.4226  27.047  10.611  -8.394749      13.54731 
1 1 1 -27 -8  33 o 22.563  8.4426  104.674    62.302   117.184    76.777   80.556     106.605  22.672  9.1157  20.007  9.2648  2.664261       12.99738 
1 1 1 -27 -8  34 o 20.157  8.1066  79.714     60.736   97.073     74.093   44.154     106.044  21.077  8.7676  18.482  8.7706  2.594795       12.40136 
1 1 1 -27 -8  35 o 31.453  8.5915  197.782    67.424   230.136    82.713   133.708    116.400  31.440  9.7918  21.441  9.8389  9.999197       13.88103 
1 1 1 -27 -8  36 o 16.847  8.2435  -6.1526    112.711  -222.2636  225.294  65.994     130.172  ?       ?       18.927  9.1698  0.000000       9.169772 
1 1 1 -27 -8  37 o 17.767  8.6545  32.898     120.209  100.008    266.691  15.786     134.665  ?       ?       17.625  8.7000  0.000000       8.700030 
1 1 1 -27 -8  38 o 20.529  8.7530  104.363    76.804   104.363    76.804   0.0000     0.0000   20.529  8.7530  ?       ?       0.000000       8.753005 
1 1 1 -27 -8  39 o 24.556  9.7187  176.726    85.909   176.726    85.909   0.0000     0.0000   24.556  9.7187  ?       ?       0.000000       9.718709 
1 1 1 -27 -8  40 o 14.152  6.7683  -8.8284    65.717   -8.8284    65.717   0.0000     0.0000   14.152  6.7683  ?       ?       0.000000       6.768275 
1 1 1 -27 -8  41 o 15.885  7.2244  34.171     60.956   17.366     72.738   73.811     111.717  15.486  7.3237  18.011  8.6681  -2.524520      11.34780 
1 1 1 -27 -8  42 o 23.003  7.7696  112.188    51.491   186.612    74.442   43.914     71.300   26.713  9.3308  16.579  7.6419  10.13335       12.06083 
1 1 1 -27 -8  43 f 20.166  8.1169  95.805     60.944   86.050     78.594   110.518    96.516   18.686  8.3773  19.355  8.9102  -0.6694355     12.22993 
1 1 1 -27 -8  44 o 11.957  5.8165  -38.3852   53.786   -26.2303   66.091   -62.2226   92.555   13.414  6.5074  14.009  6.9663  -0.5941763     9.532823 
1 1 1 -27 -8  45 o 21.081  8.7371  118.842    73.191   131.174    82.281   72.093     160.202  21.206  9.0510  17.903  8.9442  3.302677       12.72479 
1 1 1 -27 -8  46 o 21.576  8.8710  126.489    74.646   99.730     83.802   229.261    164.230  19.361  8.6672  20.708  10.093  -1.347141      13.30396 
1 1 1 -27 -8  47 o 12.940  6.1752  -15.1403   54.076   -50.2444   66.480   53.507     92.966   12.684  6.2322  17.229  8.1863  -4.544655      10.28862 
1 1 1 -27 -8  48 o 13.717  6.4863  -1.5012    57.026   -39.2539   71.367   65.177     94.846   13.298  6.5182  17.500  8.3015  -4.202176      10.55473 
1 1 1 -27 -8  49 o 15.887  7.3486  37.446     66.797   37.274     89.017   37.666     101.054  16.286  7.8121  16.466  8.0012  -0.1801949     11.18253 
1 1 1 -27 -8  50 o ?       ?       -163.8453  120.003  0.0000     0.0000   -163.8453  120.003  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -8  51 o 19.114  9.3636  217.683    146.619  0.0000     0.0000   217.683    146.619  ?       ?       19.114  9.3636  0.000000       9.363573 
1 1 1 -27 -7  1  o 15.170  6.3249  27.484     38.688   0.0000     0.0000   27.484     38.688   ?       ?       15.170  6.3249  0.000000       6.324946 
1 1 1 -27 -7  2  o 17.194  6.1219  45.565     32.164   8.8460     63.440   58.270     37.315   15.705  7.2277  18.875  6.6055  -3.169946      9.791467 
1 1 1 -27 -7  3  o 16.135  6.0776  37.519     32.391   42.601     65.343   35.863     37.296   17.887  7.8470  16.128  6.3971  1.759260       10.12413 
1 1 1 -27 -7  4  o 12.208  5.7397  -21.6727   43.510   -28.4130   100.319  -20.1110   48.289   16.715  8.0861  12.903  6.0602  3.812349       10.10504 
1 1 1 -27 -7  5  o 17.532  6.3179  46.582     34.355   38.096     75.527   48.796     38.577   18.236  8.1914  17.854  6.6507  0.3825855      10.55136 
1 1 1 -27 -7  6  o 18.863  6.1792  55.009     32.620   23.952     47.567   82.581     44.819   15.846  6.8251  22.104  7.2431  -6.257379      9.952125 
1 1 1 -27 -7  7  o 15.994  6.3735  32.685     37.181   32.081     58.871   33.086     47.957   17.268  7.5146  16.706  7.0093  0.5625687      10.27621 
1 1 1 -27 -7  8  o 20.615  6.9632  68.817     41.357   50.021     62.628   83.351     55.072   18.813  7.9578  21.812  7.9779  -2.999565      11.26820 
1 1 1 -27 -7  9  o 22.139  7.1247  80.521     43.472   67.623     66.635   90.078     57.361   20.320  8.3712  22.516  8.1561  -2.196262      11.68755 
1 1 1 -27 -7  10 o 14.765  6.3646  15.542     41.436   -11.5959   66.282   32.952     53.088   15.463  7.2096  17.157  7.2953  -1.693789      10.25666 
1 1 1 -27 -7  11 o 16.820  7.4125  22.527     58.907   -11.2997   68.038   123.784    117.715  15.664  7.3035  23.668  10.452  -8.004386      12.75086 
1 1 1 -27 -7  12 o 25.258  8.8641  120.168    67.218   102.043    76.586   180.953    140.253  23.161  9.1732  25.793  11.399  -2.632320      14.63131 
1 1 1 -27 -7  13 o 32.868  9.2207  201.849    76.524   192.967    89.148   226.718    149.171  30.152  10.223  27.505  11.966  2.646338       15.73819 
1 1 1 -27 -7  14 f 21.467  7.8876  77.158     53.922   141.466    71.898   -5.5143    81.519   27.127  9.1809  17.027  7.9576  10.10072       12.14957 
1 1 1 -27 -7  15 o 44.333  5.7469  283.798    60.364   223.372    83.964   348.439    86.844   33.982  9.7027  45.867  8.0993  -11.88514      12.63889 
1 1 1 -27 -7  16 o 21.414  8.1694  77.166     58.992   109.002    82.545   43.934     84.337   23.674  9.4755  19.550  8.7275  4.123728       12.88236 
1 1 1 -27 -7  17 o 13.495  6.3489  -26.5378   53.369   -1.2699    75.611   -51.6252   75.340   16.825  7.7952  14.779  7.1142  2.046036       10.55352 
1 1 1 -27 -7  18 o 25.481  10.406  144.460    101.855  6.2507     243.099  173.889    112.177  22.066  11.023  26.844  10.937  -4.777687      15.52839 
1 1 1 -27 -7  19 f 43.151  10.560  371.552    109.661  -86.3714   258.272  472.264    121.121  21.219  10.700  49.258  10.457  -28.03920      14.96173 
1 1 1 -27 -7  20 o 19.165  8.6395  36.769     84.892   -80.1830   224.352  56.312     91.711   20.663  10.361  20.389  9.1016  0.2737331      13.79091 
1 1 1 -27 -7  21 o 32.953  7.7379  179.613    60.814   148.501    82.687   216.270    89.753   26.794  9.7792  32.238  10.223  -5.444048      14.14709 
1 1 1 -27 -7  22 o 22.366  8.1889  87.374     58.046   58.086     77.764   124.225    87.228   20.038  8.6782  24.496  9.7620  -4.458303      13.06170 
1 1 1 -27 -7  23 o 14.706  6.7070  -2.4604    53.001   -9.0497    72.213   5.2343     78.035   16.103  7.5136  17.172  7.9428  -1.069002      10.93356 
1 1 1 -27 -7  24 o 30.685  8.1591  163.758    61.798   244.074    84.891   73.210     90.137   35.528  9.6138  21.034  9.2221  14.49393       13.32186 
1 1 1 -27 -7  25 o 26.193  8.7343  129.581    65.069   79.844     89.990   184.077    94.197   21.310  9.2820  28.346  10.424  -7.036819      13.95737 
1 1 1 -27 -7  26 o 21.776  8.3460  85.286     61.749   123.748    80.892   31.576     95.590   24.345  9.4921  19.000  8.7895  5.345068       12.93657 
1 1 1 -27 -7  27 o 16.500  7.2512  23.814     56.018   -30.6550   73.183   100.884    87.053   15.087  7.1953  22.351  9.4143  -7.264062      11.84909 
1 1 1 -27 -7  28 o 18.963  7.8952  55.317     60.158   70.732     76.261   29.923     97.881   20.306  8.6915  18.787  8.7599  1.519230       12.34008 
1 1 1 -27 -7  29 o 18.253  8.1788  39.306     74.804   89.849     85.736   -121.8373  153.088  21.352  9.1795  17.255  8.6387  4.097275       12.60515 
1 1 1 -27 -7  30 o 25.403  9.4711  142.748    78.267   120.790    89.019   217.530    164.279  23.042  9.5996  24.502  11.399  -1.460302      14.90280 
1 1 1 -27 -7  31 o 13.465  6.5290  -50.8619   66.328   -30.8974   73.866   -133.9779  150.716  14.827  7.1135  16.712  8.3949  -1.884661      11.00346 
1 1 1 -27 -7  32 o 28.903  8.7818  167.331    67.027   192.032    86.745   130.732    105.589  28.205  10.052  22.532  9.9271  5.673714       14.12792 
1 1 1 -27 -7  33 o 15.047  6.9365  4.9938     58.776   8.1575     71.486   -1.6072    103.258  16.045  7.4831  17.182  8.2850  -1.137003      11.16416 
1 1 1 -27 -7  34 o 13.599  6.3993  -13.9205   54.294   -5.9344    63.711   -35.1044   103.765  14.777  6.9471  16.143  7.9014  -1.365667      10.52114 
1 1 1 -27 -7  35 o 41.334  7.5835  300.817    73.254   319.390    92.455   269.494    120.069  37.922  9.9304  27.904  11.336  10.01843       15.07039 
1 1 1 -27 -7  36 o 27.935  11.602  301.689    129.445  116.563    253.020  367.322    150.654  19.777  10.037  28.321  12.172  -8.544336      15.77633 
1 1 1 -27 -7  37 o 21.857  10.991  387.335    262.017  387.335    262.017  0.0000     0.0000   21.857  10.991  ?       ?       0.000000       10.99090 
1 1 1 -27 -7  38 o 17.463  7.9851  50.672     75.740   50.672     75.740   0.0000     0.0000   17.463  7.9851  ?       ?       0.000000       7.985147 
1 1 1 -27 -7  39 o 19.460  8.5715  91.743     78.675   91.743     78.675   0.0000     0.0000   19.460  8.5715  ?       ?       0.000000       8.571534 
1 1 1 -27 -7  40 o 13.859  6.5911  -7.8481    60.524   24.245     69.839   -104.6565  121.296  15.779  7.3715  14.685  7.3965  1.093978       10.44257 
1 1 1 -27 -7  41 o 15.187  6.9291  24.532     56.645   -17.4308   74.264   82.909     87.593   14.296  6.9261  18.518  8.5114  -4.222429      10.97337 
1 1 1 -27 -7  42 o 11.164  5.5111  -63.1674   54.065   -52.8072   67.330   -81.9730   90.713   12.694  6.2438  13.537  6.7582  -0.8434076     9.201017 
1 1 1 -27 -7  43 f 14.273  6.6357  10.037     55.517   28.852     68.128   -27.1528   95.782   15.787  7.3434  14.979  7.3830  0.8085556      10.41319 
1 1 1 -27 -7  44 o 11.211  5.5301  -61.6122   54.078   -146.1731  66.969   96.874     91.682   10.503  5.3126  18.980  8.7179  -8.477288      10.20906 
1 1 1 -27 -7  45 f 13.406  6.4901  -25.6332   64.921   -39.6684   71.840   36.879     151.614  13.430  6.5739  17.412  8.6991  -3.981309      10.90372 
1 1 1 -27 -7  46 o 15.766  7.3475  26.800     68.713   29.570     76.363   15.017     157.503  16.120  7.5870  17.157  8.6139  -1.037018      11.47880 
1 1 1 -27 -7  47 o 17.421  7.4260  58.929     55.260   87.144     67.045   -0.8454    97.585   19.187  8.1793  15.700  7.6797  3.487713       11.21960 
1 1 1 -27 -7  48 o 10.039  5.0039  -79.5458   48.906   -86.8617   57.652   -60.7717   92.356   10.813  5.3964  13.958  6.9440  -3.145424      8.794341 
1 1 1 -27 -7  49 o 13.912  7.0289  -110.6393  114.508  0.0000     0.0000   -110.6393  114.508  ?       ?       13.912  7.0289  0.000000       7.028924 
1 1 1 -27 -7  50 o 16.742  8.2933  59.188     126.319  0.0000     0.0000   59.188     126.319  ?       ?       16.742  8.2933  0.000000       8.293283 
1 1 1 -27 -6  1  o 36.067  4.7977  184.856    40.945   176.849    71.811   188.713    49.840   29.198  9.1287  34.981  6.0933  -5.783562      10.97553 
1 1 1 -27 -6  2  o 20.219  6.2021  65.078     33.327   29.065     65.817   77.495     38.647   17.091  7.6639  21.648  6.6852  -4.557493      10.16996 
1 1 1 -27 -6  3  o 21.286  7.8373  81.492     53.275   96.327     118.359  77.722     59.661   21.408  9.8597  20.705  8.1293  0.7030525      12.77886 
1 1 1 -27 -6  4  o 66.632  4.9416  624.427    79.324   1096.48    189.779  524.496    87.318   70.728  11.450  58.800  6.2143  11.92785       13.02754 
1 1 1 -27 -6  5  o 12.940  5.4819  11.869     29.791   3.2724     43.710   19.326     40.711   13.913  6.2417  14.892  6.3617  -0.9796610     8.912342 
1 1 1 -27 -6  6  f 15.767  6.2990  30.977     36.405   66.186     55.945   5.1184     47.944   20.009  7.8670  14.550  6.5316  5.459630       10.22501 
1 1 1 -27 -6  7  o 31.730  6.3636  153.768    47.289   119.934    71.876   179.591    62.792   24.632  9.0973  32.299  8.0430  -7.667294      12.14293 
1 1 1 -27 -6  8  o 13.624  6.0437  4.1441     39.793   30.391     65.098   -11.5141   50.281   17.672  7.7900  13.843  6.3936  3.829309       10.07778 
1 1 1 -27 -6  9  o 8.8832  4.3977  -68.0551   35.321   -96.2682   56.719   -50.1846   45.141   11.221  5.5583  11.233  5.4316  -0.1176262E-01 7.771496 
1 1 1 -27 -6  10 o 29.096  7.0964  135.337    49.651   166.892    73.646   109.042    67.228   29.493  9.2485  24.158  8.8177  5.334993       12.77832 
1 1 1 -27 -6  11 o 14.831  6.9109  -15.8184   60.772   -25.1008   68.152   20.212     134.273  15.116  7.1303  20.287  9.6948  -5.171467      12.03454 
1 1 1 -27 -6  12 o 19.000  8.0333  47.999     63.773   35.834     73.320   85.795     129.242  18.625  8.2356  22.339  10.294  -3.714293      13.18286 
1 1 1 -27 -6  13 o 17.979  7.3927  41.685     51.843   18.408     72.829   65.596     73.814   17.640  7.9723  20.590  8.6706  -2.950584      11.77865 
1 1 1 -27 -6  14 o 25.425  7.9496  110.634    54.457   148.335    73.937   65.936     80.508   27.759  9.3107  20.771  8.9115  6.987823       12.88809 
1 1 1 -27 -6  15 o 24.846  7.8848  105.072    53.385   89.132     71.281   125.433    80.563   22.420  8.8593  25.166  9.5597  -2.745203      13.03363 
1 1 1 -27 -6  16 o 19.668  7.7138  58.780     53.663   38.461     71.664   84.718     80.968   18.770  8.2263  22.045  9.1675  -3.275677      12.31725 
1 1 1 -27 -6  17 o 17.245  7.5074  26.713     58.799   -31.2696   71.888   143.902    102.200  15.268  7.2382  25.579  10.433  -10.31144      12.69762 
1 1 1 -27 -6  18 o 19.709  9.0379  34.676     97.994   296.967    239.366  -18.1349   107.407  26.892  12.876  18.210  8.6934  8.682495       15.53617 
1 1 1 -27 -6  19 o 16.901  8.0807  -32.5625   93.537   -396.2173  224.929  43.474     102.852  ?       ?       20.235  9.2717  0.000000       9.271708 
1 1 1 -27 -6  20 o 12.338  5.8705  -36.4223   48.120   -77.2552   66.825   7.5552     69.350   13.069  6.3849  16.817  7.6705  -3.747842      9.980144 
1 1 1 -27 -6  21 o 14.190  6.5365  -10.5946   52.051   -36.2041   70.311   20.460     77.426   14.876  7.0829  17.992  8.1671  -3.115965      10.81058 
1 1 1 -27 -6  22 o 15.179  6.8551  3.1616     53.733   -1.2443    72.262   8.6105     80.362   16.542  7.6486  17.559  8.1003  -1.017225      11.14070 
1 1 1 -27 -6  23 f 33.288  7.9451  186.321    63.282   221.750    88.025   148.423    91.039   32.962  10.074  26.134  10.103  6.828154       14.26760 
1 1 1 -27 -6  24 o 15.124  6.8841  0.4130     55.494   29.821     75.784   -33.5873   81.486   18.258  8.2028  15.837  7.5639  2.420269       11.15794 
1 1 1 -27 -6  25 o 15.766  7.0681  10.820     55.950   -43.9556   74.142   83.270     85.269   14.807  7.1099  21.555  9.2074  -6.748196      11.63297 
1 1 1 -27 -6  26 o 22.132  8.2669  87.828     59.684   151.951    79.771   6.2862     89.956   26.922  9.6351  17.767  8.3212  9.155565       12.73097 
1 1 1 -27 -6  27 o 20.542  8.3261  72.457     64.612   10.886     87.559   146.070    95.739   17.735  8.2747  25.099  10.148  -7.363873      13.09433 
1 1 1 -27 -6  28 o 13.546  6.4226  -28.6549   56.627   -12.4927   74.673   -50.5280   86.870   15.879  7.4821  15.425  7.4778  0.4531603      10.57826 
1 1 1 -27 -6  29 o 24.578  9.5201  132.493    80.961   54.390     95.617   330.311    152.171  19.628  8.9739  30.277  12.577  -10.64895      15.45054 
1 1 1 -27 -6  30 o 19.187  8.4618  56.533     76.905   7.0548     89.892   191.624    148.536  17.352  8.1864  24.256  11.124  -6.903563      13.81196 
1 1 1 -27 -6  31 o 22.213  8.7570  100.816    69.492   116.271    91.904   80.184     106.190  22.461  9.5756  20.492  9.4011  1.968855       13.41914 
1 1 1 -27 -6  32 o 43.056  7.2585  309.073    73.134   262.693    95.398   375.185    113.898  33.113  10.544  38.843  11.363  -5.730843      15.50140 
1 1 1 -27 -6  33 o 18.408  7.8042  55.836     60.454   113.776    73.402   -66.3354   106.587  22.661  8.9788  15.690  7.7437  6.970890       11.85677 
1 1 1 -27 -6  34 o 15.710  7.1490  17.417     59.801   -24.2701   72.771   104.120    104.948  14.699  7.0542  20.790  9.4648  -6.091563      11.80443 
1 1 1 -27 -6  35 o 18.351  8.8199  40.934     114.683  246.558    244.184  -17.2584   129.901  21.482  10.777  17.302  8.5414  4.179642       13.75130 
1 1 1 -27 -6  36 o 20.299  10.295  181.541    263.127  181.541    263.127  0.0000     0.0000   20.299  10.295  ?       ?       0.000000       10.29511 
1 1 1 -27 -6  37 o ?       ?       -125.2636  240.912  -125.2636  240.912  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -6  38 f 20.958  8.8419  110.820    76.994   110.820    76.994   0.0000     0.0000   20.958  8.8419  ?       ?       0.000000       8.841892 
1 1 1 -27 -6  39 o 20.891  8.6778  109.235    72.437   51.495     84.040   276.120    142.874  17.431  8.1241  23.800  10.914  -6.368774      13.60539 
1 1 1 -27 -6  40 o 17.896  7.6450  63.405     58.797   96.076     76.834   17.239     91.335   19.617  8.5597  16.212  7.8108  3.405064       11.58783 
1 1 1 -27 -6  41 o 16.133  7.2061  39.275     57.584   -75.2431   75.821   195.361    88.518   12.775  6.3448  25.150  9.8932  -12.37474      11.75294 
1 1 1 -27 -6  42 o 23.544  8.6659  135.968    65.128   137.129    82.068   133.993    107.039  21.704  9.1412  20.108  9.3017  1.595484       13.04161 
1 1 1 -27 -6  43 o 22.267  8.3864  118.244    61.670   148.979    75.523   56.739     106.837  23.248  9.1404  17.491  8.4322  5.756777       12.43583 
1 1 1 -27 -6  44 o 28.498  8.7526  184.716    66.349   160.501    82.145   230.161    112.534  23.346  9.4141  24.065  10.431  -0.7192364     14.05090 
1 1 1 -27 -6  45 o 12.799  6.2677  -46.1052   65.541   -54.6754   72.161   -5.7176    156.649  13.049  6.4274  16.914  8.5044  -3.864693      10.66002 
1 1 1 -27 -6  46 o 13.428  6.4380  -16.5596   60.270   11.312     65.250   -178.5171  157.290  14.929  7.0225  ?       ?       0.000000       7.022457 
1 1 1 -27 -6  47 o 12.485  6.0195  -26.9252   54.484   -49.0501   64.507   28.142     101.768  12.570  6.1687  16.577  8.0494  -4.006925      10.14128 
1 1 1 -27 -6  48 o 11.396  5.6275  -61.7616   56.559   -61.4443   68.769   -62.4249   99.433   12.469  6.1661  14.237  7.1021  -1.767945      9.405394 
1 1 1 -27 -6  49 o 15.680  7.8176  -8.3598    119.700  0.0000     0.0000   -8.3598    119.700  ?       ?       15.680  7.8176  0.000000       7.817613 
1 1 1 -27 -6  50 f 19.342  9.4566  209.828    147.380  0.0000     0.0000   209.828    147.380  ?       ?       19.342  9.4566  0.000000       9.456626 
1 1 1 -27 -5  1  o 15.668  6.0113  34.006     32.055   37.882     70.678   33.003     35.967   17.823  7.9706  15.745  6.2704  2.077987       10.14142 
1 1 1 -27 -5  2  o 9.2676  4.5307  -49.6805   33.815   -47.2387   53.982   -51.2574   43.381   12.360  5.9673  10.775  5.2373  1.585066       7.939664 
1 1 1 -27 -5  3  o 24.918  8.3045  116.266    58.825   171.478    131.080  102.343    65.826   24.497  10.912  22.931  8.6579  1.565855       13.92955 
1 1 1 -27 -5  4  o 9.3390  4.4260  -23.7747   26.841   -17.5677   40.069   -28.8270   36.150   12.056  5.6159  10.776  5.1158  1.280003       7.596632 
1 1 1 -27 -5  5  o 14.254  6.0460  16.646     36.309   -1.8197    54.909   30.994     48.402   14.825  6.7861  16.591  7.0057  -1.766183      9.753521 
1 1 1 -27 -5  6  o 16.611  6.5058  36.915     38.132   -18.2513   60.642   72.993     49.040   14.577  6.8289  20.917  7.5468  -6.339771      10.17784 
1 1 1 -27 -5  7  o 25.183  7.0510  102.816    44.794   177.271    67.007   42.660     60.230   31.476  8.5513  18.297  7.7750  13.17891       11.55745 
1 1 1 -27 -5  8  o 12.327  5.5918  -6.6572    36.215   -63.3093   57.402   30.804     46.677   12.391  6.0231  16.609  6.9381  -4.218147      9.187729 
1 1 1 -27 -5  9  o 19.077  7.0648  55.460     43.404   20.480     68.128   79.358     56.311   17.389  7.7975  21.635  8.0400  -4.245842      11.20010 
1 1 1 -27 -5  10 o 25.921  8.8576  125.045    66.930   175.657    80.627   12.869     120.034  29.672  9.7144  19.670  9.3331  10.00258       13.47129 
1 1 1 -27 -5  11 o 31.400  9.1124  182.284    73.506   199.269    88.655   144.924    131.482  31.024  10.188  24.786  10.991  6.238291       14.98636 
1 1 1 -27 -5  12 o 25.460  7.6174  107.862    50.716   73.088     82.004   129.402    64.540   21.285  9.0591  26.705  8.6889  -5.419836      12.55247 
1 1 1 -27 -5  13 o 28.677  7.9040  138.269    56.765   123.062    75.835   157.648    85.606   25.264  9.3418  27.665  9.9726  -2.400452      13.66467 
1 1 1 -27 -5  14 o 16.293  7.1807  16.438     55.292   51.156     65.980   -65.4575   101.336  19.427  8.1901  16.501  8.0171  2.925684       11.46083 
1 1 1 -27 -5  15 o 18.101  7.4770  41.406     53.347   24.922     69.784   64.584     82.749   17.896  7.9676  20.830  8.9867  -2.933975      12.01012 
1 1 1 -27 -5  16 f 13.455  6.2885  -22.4780   50.916   -16.7175   66.511   -30.6325   79.134   15.441  7.2068  15.963  7.5754  -0.5220203     10.45580 
1 1 1 -27 -5  17 f 14.204  7.0419  -127.6408  91.750   -209.9913  237.645  -113.2156  99.462   19.842  10.034  15.165  7.4841  4.676600       12.51744 
1 1 1 -27 -5  18 o 17.277  8.2124  -23.6642   93.741   -362.0527  238.621  38.088     101.936  ?       ?       20.066  9.2076  0.000000       9.207567 
1 1 1 -27 -5  19 o 29.340  10.139  178.795    87.776   119.338    257.916  186.584    93.349   23.863  11.826  29.449  10.435  -5.586189      15.77170 
1 1 1 -27 -5  20 o 32.284  8.5809  182.798    68.370   277.607    98.785   95.627     94.722   36.914  10.519  22.737  9.7081  14.17675       14.31409 
1 1 1 -27 -5  21 o 19.140  8.0706  49.290     64.088   66.837     93.109   33.492     88.346   21.060  9.2982  19.228  8.7268  1.831921       12.75198 
1 1 1 -27 -5  22 o 20.011  8.1792  61.328     62.992   -55.9459   93.144   160.170    85.512   16.094  7.7869  27.685  9.9686  -11.59163      12.64945 
1 1 1 -27 -5  23 o 24.755  8.6640  112.800    64.196   140.413    93.182   87.855     88.568   25.486  10.111  22.075  9.4055  3.411184       13.80903 
1 1 1 -27 -5  24 o 13.057  6.3023  -53.9935   60.132   -2.5492    90.836   -94.1219   80.226   17.648  8.2963  13.864  6.8188  3.783863       10.73896 
1 1 1 -27 -5  25 o 52.030  6.4329  408.637    79.483   403.244    116.367  413.353    108.823  43.815  10.970  46.498  9.9462  -2.683308      14.80801 
1 1 1 -27 -5  26 o 18.023  7.8759  36.639     65.260   23.901     99.662   46.201     86.347   18.922  8.8284  19.418  8.7372  -0.4961567     12.42088 
1 1 1 -27 -5  27 o 18.215  7.8585  42.070     63.278   -70.0932   92.571   140.446    86.695   15.371  7.5109  25.264  9.8332  -9.892803      12.37357 
1 1 1 -27 -5  28 o 15.151  7.2911  -40.8629   78.988   -85.4047   95.880   53.220     139.347  15.133  7.4451  20.583  9.8471  -5.449563      12.34484 
1 1 1 -27 -5  29 f 21.327  9.2623  88.911     89.076   50.985     105.015  186.183    168.181  19.703  9.1490  23.890  11.249  -4.186678      14.49944 
1 1 1 -27 -5  30 o 23.971  9.7702  134.242    89.559   81.632     108.313  247.956    159.240  20.778  9.5186  25.797  11.711  -5.018204      15.09133 
1 1 1 -27 -5  31 o 21.044  8.6311  86.709     70.445   47.340     96.769   131.094    102.748  19.023  8.8154  22.943  9.9558  -3.919809      13.29776 
1 1 1 -27 -5  32 o 17.248  7.6641  35.356     64.253   -21.1252   87.221   102.378    95.013   15.967  7.6782  21.361  9.4138  -5.394328      12.14802 
1 1 1 -27 -5  33 o 11.878  5.8498  -74.8805   59.720   -101.4783  80.407   -42.1566   89.187   13.141  6.5280  15.317  7.4597  -2.175822      9.912679 
1 1 1 -27 -5  34 o 13.656  6.5687  -33.1484   63.927   -90.2561   84.690   42.486     97.464   13.653  6.7678  18.276  8.5921  -4.623271      10.93744 
1 1 1 -27 -5  35 o 19.119  9.7195  6.7447     244.585  6.7447     244.585  0.0000     0.0000   19.119  9.7195  ?       ?       0.000000       9.719474 
1 1 1 -27 -5  36 o ?       ?       -153.5973  237.830  -153.5973  237.830  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -5  37 o 16.865  7.9026  31.282     81.297   31.282     81.297   0.0000     0.0000   16.865  7.9026  ?       ?       0.000000       7.902595 
1 1 1 -27 -5  38 o 22.278  8.8360  123.005    71.155   92.837     93.741   164.015    109.297  19.380  8.8696  22.005  9.8713  -2.625507      13.27074 
1 1 1 -27 -5  39 f 40.011  8.5206  321.933    80.185   251.973    103.014  429.489    127.729  27.393  10.703  34.485  12.208  -7.091433      16.23540 
1 1 1 -27 -5  40 o 15.706  7.1762  29.096     61.026   54.968     85.755   2.5505     86.862   17.456  8.1594  15.607  7.5435  1.849210       11.11218 
1 1 1 -27 -5  41 o 16.065  7.1103  39.121     54.777   7.3496     72.284   81.979     83.953   15.111  7.1912  18.572  8.4588  -3.460746      11.10242 
1 1 1 -27 -5  42 o 21.303  8.4888  112.236    65.953   110.506    83.209   115.158    108.171  20.029  8.8191  19.404  9.0999  0.6247940      12.67226 
1 1 1 -27 -5  43 o 11.492  5.6427  -54.0510   54.216   -76.4906   64.733   -1.3301    99.223   11.840  5.8774  15.804  7.7337  -3.964265      9.713537 
1 1 1 -27 -5  44 o 13.782  6.6605  -21.1279   67.645   -16.9856   74.635   -40.1854   160.086  14.349  6.9498  16.513  8.3390  -2.163667      10.85533 
1 1 1 -27 -5  45 o 14.910  7.0141  10.197     65.123   0.0000     70.999   64.272     163.497  14.788  7.0622  18.012  9.0040  -3.223486      11.44317 
1 1 1 -27 -5  46 o 18.626  7.7832  73.932     58.767   96.288     72.290   30.366     100.914  19.709  8.4497  16.736  8.0995  2.972916       11.70467 
1 1 1 -27 -5  47 o 18.157  7.9204  71.794     65.739   0.0001     82.813   194.120    108.098  15.195  7.3499  22.532  9.9798  -7.336797      12.39423 
1 1 1 -27 -5  48 o 23.165  10.152  217.699    109.144  0.0000     0.0000   217.699    109.144  ?       ?       23.165  10.152  0.000000       10.15237 
1 1 1 -27 -5  49 o 15.892  7.9642  -3.5949    131.611  0.0000     0.0000   -3.5949    131.611  ?       ?       15.892  7.9642  0.000000       7.964182 
1 1 1 -27 -5  50 o 15.618  7.7951  12.765     120.349  10.001     280.196  13.390     133.268  ?       ?       15.784  7.9241  0.000000       7.924126 
1 1 1 -27 -4  1  o 14.371  5.7032  24.791     29.658   4.7900     36.200   65.627     51.724   13.033  5.7737  19.666  7.6116  -6.632719      9.553691 
1 1 1 -27 -4  2  o 16.404  6.9060  31.660     46.809   -14.3967   79.619   55.988     57.866   16.091  7.6251  18.926  7.7994  -2.834904      10.90744 
1 1 1 -27 -4  3  o 13.038  5.5845  10.538     31.525   55.458     46.624   -27.2955   42.789   18.810  7.2416  11.894  5.6224  6.916138       9.167998 
1 1 1 -27 -4  4  o 14.296  5.9259  19.731     33.677   24.981     47.744   14.532     47.510   16.043  6.8723  15.199  6.6788  0.8443260      9.583053 
1 1 1 -27 -4  5  o 26.292  6.7526  109.671    43.304   113.034    61.415   106.346    61.068   24.747  8.4847  24.049  8.4484  0.6977749      11.97356 
1 1 1 -27 -4  6  o 18.988  6.8922  55.428     40.991   95.978     60.943   21.926     55.394   23.074  8.3994  16.507  7.2337  6.566380       11.08494 
1 1 1 -27 -4  7  o 16.485  6.5966  34.003     39.997   -9.2091    63.252   62.794     51.630   15.372  7.1246  19.918  7.6322  -4.546323      10.44079 
1 1 1 -27 -4  8  o 12.205  5.6658  -17.7555   40.239   42.056     64.595   -55.6853   51.440   18.586  7.9783  11.936  5.7783  6.649204       9.850988 
1 1 1 -27 -4  9  o 22.839  8.5639  92.604     64.170   110.186    75.704   47.724     120.949  24.036  9.2342  20.890  9.7396  3.145538       13.42129 
1 1 1 -27 -4  10 o 23.440  8.8318  99.856     68.410   98.532     83.046   102.650    120.662  23.014  9.3973  23.103  10.367  -0.8876419E-01 13.99242 
1 1 1 -27 -4  11 o 15.306  7.1332  -15.8635   64.774   46.582     78.205   -152.2961  115.595  19.588  8.5890  15.513  7.7258  4.074899       11.55242 
1 1 1 -27 -4  12 o 16.601  6.9845  28.124     47.830   46.230     75.395   15.930     61.874   19.482  8.4906  16.809  7.4916  2.672672       11.32317 
1 1 1 -27 -4  13 o 54.139  6.1390  428.200    79.219   370.560    99.272   529.263    131.448  45.801  9.2512  52.133  10.749  -6.331936      14.18158 
1 1 1 -27 -4  14 o 71.954  4.9579  711.074    86.032   684.922    122.726  736.343    120.635  65.126  7.9301  68.699  7.3511  -3.572624      10.81314 
1 1 1 -27 -4  15 o 77.663  4.8684  824.496    91.277   808.093    132.787  839.189    125.676  70.933  7.8465  73.909  7.0952  -2.975746      10.57872 
1 1 1 -27 -4  16 o 68.246  8.5718  781.859    138.811  640.992    254.514  841.502    165.611  35.635  15.563  66.225  10.669  -30.58916      18.86907 
1 1 1 -27 -4  17 o 60.322  9.3778  642.650    132.801  314.577    268.093  749.328    152.875  26.983  13.093  63.160  10.333  -36.17770      16.67930 
1 1 1 -27 -4  18 o 52.510  10.493  527.171    129.014  565.604    280.031  516.815    145.359  31.415  14.703  47.795  12.421  -16.37965      19.24736 
1 1 1 -27 -4  19 o 15.639  7.1576  -2.7251    61.049   -1.4991    90.785   -3.7372    82.484   17.930  8.3855  17.307  8.0604  0.6226368      11.63130 
1 1 1 -27 -4  20 o 25.613  9.0046  122.510    69.380   224.193    104.851  43.310     92.536   31.334  11.064  19.945  9.0030  11.38863       14.26429 
1 1 1 -27 -4  21 o 32.696  8.8672  191.778    72.123   194.335    103.741  189.386    100.340  29.010  10.887  28.935  10.736  0.7475471E-01  15.29015 
1 1 1 -27 -4  22 o 23.796  8.8175  104.120    67.631   128.214    100.415  84.115     91.495   24.543  10.208  21.974  9.4649  2.568928       13.92066 
1 1 1 -27 -4  23 o 12.755  6.1891  -62.2743   59.885   -139.0172  85.907   10.268     83.523   13.348  6.6498  17.834  8.2379  -4.485261      10.58696 
1 1 1 -27 -4  24 o 14.074  6.6756  -32.4650   61.298   -25.2147   94.769   -37.6801   80.374   17.092  8.1617  15.637  7.4805  1.454998       11.07119 
1 1 1 -27 -4  25 f 31.186  8.8518  179.176    70.097   209.568    101.131  151.074    97.247   29.857  10.828  25.788  10.298  4.068867       14.94255 
1 1 1 -27 -4  26 o 21.282  8.4353  79.543     64.806   111.857    97.530   53.996     86.718   23.103  9.8573  19.842  8.8543  3.261749       13.25008 
1 1 1 -27 -4  27 o 20.230  8.3679  68.130     66.947   92.329     96.156   45.365     93.264   21.851  9.5541  19.482  8.8896  2.369520       13.05010 
1 1 1 -27 -4  28 o 16.658  7.8691  -8.3020    83.561   -34.9286   100.686  50.622     149.782  16.784  8.1149  20.669  9.9691  -3.884306      12.85434 
1 1 1 -27 -4  29 o 14.089  6.9318  -85.0690   83.177   -62.7163   97.331   -145.5977  160.165  15.709  7.6813  17.215  8.6485  -1.505914      11.56721 
1 1 1 -27 -4  30 o 14.935  7.0523  -16.6664   66.989   -18.9488   102.597  -14.9703   88.443   17.095  8.2468  16.480  7.8736  0.6150990      11.40190 
1 1 1 -27 -4  31 o 17.899  7.7980  44.037     63.551   35.591     88.398   53.072     91.428   18.286  8.4568  19.135  8.7583  -0.8489437     12.17476 
1 1 1 -27 -4  32 o 17.124  7.6770  32.278     66.005   71.064     90.286   -12.2490   96.738   19.770  8.9113  16.730  8.0551  3.040638       12.01237 
1 1 1 -27 -4  33 o 15.075  7.0499  -2.1637    64.160   85.745     87.712   -103.3360  94.096   20.308  8.9925  14.116  7.0203  6.192634       11.40825 
1 1 1 -27 -4  34 o 19.732  9.9656  53.386     229.035  53.386     229.035  0.0000     0.0000   19.732  9.9656  ?       ?       0.000000       9.965616 
1 1 1 -27 -4  35 o 19.595  9.9540  65.925     253.001  65.925     253.001  0.0000     0.0000   19.595  9.9540  ?       ?       0.000000       9.953974 
1 1 1 -27 -4  36 o 28.182  13.938  1288.02    351.626  1288.02    351.626  0.0000     0.0000   28.182  13.938  ?       ?       0.000000       13.93805 
1 1 1 -27 -4  37 o 18.891  8.1371  73.116     67.622   59.539     92.671   88.578     98.895   18.178  8.4919  19.341  8.9447  -1.163076      12.33370 
1 1 1 -27 -4  38 o 17.396  7.8395  51.812     69.832   125.756    92.813   -44.6601   106.013  20.962  9.2675  15.356  7.6050  5.605686       11.98842 
1 1 1 -27 -4  39 o 12.788  6.1583  -27.4130   56.593   -30.6356   79.243   -24.0582   80.850   14.310  6.9830  14.596  7.1071  -0.2854509     9.963582 
1 1 1 -27 -4  40 o 24.790  8.7993  148.386    66.401   121.849    95.777   172.945    92.139   20.235  9.1443  23.301  9.7420  -3.065397      13.36127 
1 1 1 -27 -4  41 o 23.255  8.7933  135.995    67.964   125.256    89.907   150.315    103.816  20.583  9.1096  21.063  9.5192  -0.4806385     13.17572 
1 1 1 -27 -4  42 o 14.310  6.7647  1.4782     61.935   1.3877     80.960   1.6057     96.170   15.261  7.3529  15.811  7.7103  -0.5503941     10.65428 
1 1 1 -27 -4  43 o 15.921  7.2480  33.718     61.539   11.265     80.587   65.126     95.313   15.595  7.4681  17.801  8.4077  -2.206213      11.24549 
1 1 1 -27 -4  44 o 17.013  7.7255  49.897     69.364   20.485     78.175   158.758    150.398  15.886  7.5360  19.812  9.6573  -3.926790      12.24969 
1 1 1 -27 -4  45 o 17.942  7.9851  66.167     70.017   80.027     76.623   -3.9893    172.384  18.653  8.3235  17.189  8.6769  1.464466       12.02369 
1 1 1 -27 -4  46 o 13.857  6.5287  -1.0433    56.817   -6.8325    67.966   12.390     103.534  14.322  6.8586  16.290  7.9562  -1.967721      10.50440 
1 1 1 -27 -4  47 o 12.614  6.3806  -152.1790  96.693   0.0000     0.0000   -152.1790  96.693   ?       ?       12.614  6.3806  0.000000       6.380572 
1 1 1 -27 -4  48 o 15.143  7.6238  -61.7514   128.146  0.0000     0.0000   -61.7514   128.146  ?       ?       15.143  7.6238  0.000000       7.623796 
1 1 1 -27 -4  49 o 13.954  7.0252  -82.0703   108.842  128.306    297.348  -114.6188  116.959  ?       ?       13.784  6.9773  0.000000       6.977272 
1 1 1 -27 -3  1  o 27.250  8.2394  136.573    59.108   168.470    111.507  124.108    69.707   25.189  10.635  24.715  8.9852  0.4733238      13.92221 
1 1 1 -27 -3  2  o 12.568  5.4929  5.4536     31.754   43.194     44.522   -33.6176   45.300   17.456  6.9687  11.921  5.6786  5.534842       8.989370 
1 1 1 -27 -3  3  o 17.668  6.5735  46.177     37.664   37.274     53.669   54.816     52.870   17.421  7.3678  18.923  7.5800  -1.502045      10.57076 
1 1 1 -27 -3  4  o 8.9972  4.4062  -51.3950   32.396   -82.9866   49.720   -28.0877   42.706   10.653  5.2637  11.904  5.6242  -1.251066      7.703128 
1 1 1 -27 -3  5  o 24.789  7.0170  99.360     44.111   59.952     65.456   132.147    59.704   19.806  8.2399  27.230  8.2916  -7.423983      11.68957 
1 1 1 -27 -3  6  o 13.218  5.8921  0.9125     38.285   -31.2763   60.276   22.681     49.569   14.029  6.6442  16.158  6.9633  -2.129056      9.624579 
1 1 1 -27 -3  7  o 18.994  7.0588  54.549     43.406   51.316     70.083   56.561     55.286   19.460  8.3308  19.424  7.7616  0.3653908E-01  11.38615 
1 1 1 -27 -3  8  o 11.820  5.5225  -21.7789   39.221   -28.5762   65.167   -17.9183   49.111   14.724  6.9537  13.444  6.2471  1.280600       9.347790 
1 1 1 -27 -3  9  o 17.681  7.7645  27.631     64.126   -10.9577   76.824   116.285    116.444  16.554  7.7328  23.773  10.451  -7.218987      13.00069 
1 1 1 -27 -3  10 o 46.296  7.3598  336.187    79.909   319.796    93.833   379.454    152.447  42.110  9.4192  36.187  13.268  5.923363       16.27112 
1 1 1 -27 -3  11 o 52.151  4.9644  374.653    62.061   340.032    88.921   407.535    86.659   45.064  8.4424  51.363  7.1471  -6.299061      11.06144 
1 1 1 -27 -3  12 o 22.644  8.0660  86.474     55.843   121.782    83.058   57.348     75.438   24.952  9.6489  20.247  8.6547  4.705534       12.96164 
1 1 1 -27 -3  13 o 17.376  7.5840  25.628     60.352   29.268     80.401   20.931     91.345   18.814  8.4511  18.977  8.7109  -0.1631622     12.13677 
1 1 1 -27 -3  14 o 23.882  8.5187  100.188    62.306   179.399    88.870   23.614     87.378   29.523  10.202  18.906  8.6183  10.61671       13.35477 
1 1 1 -27 -3  15 o 12.156  5.9982  -98.3756   63.835   -140.0282  84.215   -42.1212   97.869   13.287  6.6135  17.031  8.1755  -3.744177      10.51558 
1 1 1 -27 -3  16 o 19.251  8.8242  24.852     93.275   97.177     179.046  -2.0874    109.274  23.477  11.213  18.989  8.9790  4.488346       14.36466 
1 1 1 -27 -3  17 o 18.471  8.5833  7.5146     92.699   -93.9213   190.629  38.930     106.087  20.062  9.9798  20.357  9.3604  -0.2956715     13.68261 
1 1 1 -27 -3  18 o 37.246  8.1745  230.561    71.849   207.844    102.904  252.169    100.364  30.429  10.938  34.580  10.789  -4.150856      15.36334 
1 1 1 -27 -3  19 o 61.839  5.8320  549.210    86.474   584.469    124.784  516.633    119.944  57.806  9.2053  53.709  9.5540  4.097321       13.26710 
1 1 1 -27 -3  20 f 44.448  7.5959  314.739    78.979   347.668    117.155  287.307    106.929  39.912  11.481  36.503  11.092  3.409126       15.96428 
1 1 1 -27 -3  21 o 17.926  7.9116  28.522     67.351   47.009     98.675   12.396     92.157   20.299  9.2166  18.521  8.5898  1.778101       12.59885 
1 1 1 -27 -3  22 o 13.134  6.3672  -62.5960   62.995   -113.5558  87.428   -7.5753    90.845   14.104  6.9707  17.601  8.2813  -3.497097      10.82453 
1 1 1 -27 -3  23 o 22.900  8.8177  95.627     69.137   67.721     103.694  117.959    92.765   21.216  9.5576  24.000  9.8810  -2.784184      13.74702 
1 1 1 -27 -3  24 o 22.113  8.6882  87.393     68.190   111.702    102.804  68.295     91.121   23.312  10.037  20.916  9.2184  2.395632       13.62799 
1 1 1 -27 -3  25 o 19.427  8.2570  54.313     67.959   140.176    101.700  -14.9586   91.348   24.860  10.301  17.165  8.1437  7.695755       13.13117 
1 1 1 -27 -3  26 o 17.677  7.7663  32.121     64.218   94.145     95.574   -18.9301   86.708   22.105  9.5970  16.644  7.9077  5.460459       12.43517 
1 1 1 -27 -3  27 o 18.346  8.5349  20.264     92.090   92.772     114.251  -114.2094  155.591  21.846  9.9182  17.772  8.8687  4.074011       13.30503 
1 1 1 -27 -3  28 o 17.672  8.2427  12.959     86.779   -9.3825    104.448  62.756     155.935  17.724  8.4914  21.005  10.141  -3.281620      13.22693 
1 1 1 -27 -3  29 o 17.313  8.1492  5.4760     88.144   95.572     105.883  -197.9128  159.087  21.550  9.6878  16.471  8.3173  5.078928       12.76834 
1 1 1 -27 -3  30 o 17.488  7.7955  33.720     67.020   23.924     98.362   42.208     91.565   18.292  8.6095  18.802  8.6642  -0.5104046     12.21440 
1 1 1 -27 -3  31 o 24.098  8.8195  120.590    67.319   128.994    96.206   112.527    94.233   22.992  9.7995  22.105  9.5633  0.8864708      13.69257 
1 1 1 -27 -3  32 f 25.573  8.9551  139.169    68.587   147.268    97.613   131.271    96.391   23.727  9.9801  22.836  9.7729  0.8908195      13.96828 
1 1 1 -27 -3  33 o 16.285  7.8085  -8.3700    88.721   -8.3700    88.721   0.0000     0.0000   16.285  7.8085  ?       ?       0.000000       7.808518 
1 1 1 -27 -3  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 -3  35 o ?       ?       -1898.3400 196.055  -1898.3400 196.055  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -3  36 o 16.277  7.4456  28.051     65.939   -24.1725   91.128   85.446     95.533   15.465  7.5338  19.435  8.9164  -3.969243      11.67307 
1 1 1 -27 -3  37 o 17.551  7.6548  53.843     61.383   11.388     93.528   85.967     81.357   16.451  7.9210  19.389  8.6193  -2.937525      11.70613 
1 1 1 -27 -3  38 o 22.128  8.4989  114.578    64.117   183.231    90.468   45.295     90.882   24.624  9.8971  17.365  8.2044  7.258894       12.85554 
1 1 1 -27 -3  39 o 19.731  8.4287  92.968     71.468   78.407     94.874   112.071    108.667  18.502  8.6261  19.581  9.1631  -1.079391      12.58457 
1 1 1 -27 -3  40 o 15.128  6.9804  19.700     59.732   -65.8585   84.202   106.369    84.747   13.601  6.7432  19.880  8.8192  -6.279665      11.10176 
1 1 1 -27 -3  41 o 20.758  8.5042  107.046    68.291   110.831    90.331   101.998    104.330  19.831  8.9285  19.090  8.9476  0.7411194      12.64032 
1 1 1 -27 -3  42 o 17.413  7.7591  57.840     66.326   9.7419     92.817   108.031    94.815   15.957  7.7341  19.539  8.9342  -3.581581      11.81679 
1 1 1 -27 -3  43 o 22.476  9.4334  153.315    86.908   66.719     102.994  367.413    161.946  17.901  8.5368  24.678  11.424  -6.776487      14.26169 
1 1 1 -27 -3  44 o 26.769  10.217  221.952    92.301   220.688    109.568  225.041    171.294  24.211  10.392  20.731  10.148  3.479383       14.52511 
1 1 1 -27 -3  45 o 17.233  7.6848  54.188     65.202   23.741     89.760   88.202     94.871   16.353  7.8443  18.758  8.7052  -2.405434      11.71808 
1 1 1 -27 -3  46 o 18.721  8.7572  92.389     99.102   0.0000     0.0000   92.389     99.102   ?       ?       18.721  8.7572  0.000000       8.757234 
1 1 1 -27 -3  47 o 14.504  7.2197  -53.0795   100.441  0.0000     0.0000   -53.0795   100.441  ?       ?       14.504  7.2197  0.000000       7.219690 
1 1 1 -27 -3  48 o 16.929  8.2765  53.627     112.893  -357.4828  303.595  119.595    121.614  ?       ?       18.551  8.9562  0.000000       8.956216 
1 1 1 -27 -3  49 o 15.588  7.7400  10.324     112.545  -43.5759   216.123  30.378     131.830  ?       ?       16.184  8.0897  0.000000       8.089731 
1 1 1 -27 -2  1  o 20.893  6.4611  69.415     36.085   71.620     47.971   66.541     54.764   20.582  7.4582  19.928  7.7990  0.6535206      10.79117 
1 1 1 -27 -2  2  f 10.634  4.9616  -18.2887   31.486   -8.3982    49.992   -24.7915   40.536   13.913  6.4077  11.725  5.5211  2.188033       8.458253 
1 1 1 -27 -2  3  o 11.220  5.2308  -18.7839   34.880   -27.5822   54.525   -12.6897   45.379   13.468  6.3605  13.150  6.0736  0.3179693      8.794553 
1 1 1 -27 -2  4  o 31.350  6.5367  151.082    48.113   186.798    70.669   120.224    65.688   31.973  8.8216  25.277  8.7687  6.696774       12.43827 
1 1 1 -27 -2  5  o 24.187  7.3189  96.447     46.625   179.107    68.889   26.576     63.337   31.531  8.7141  17.421  7.6813  14.11025       11.61624 
1 1 1 -27 -2  6  o 11.361  5.3388  -24.6932   37.561   -101.5552  57.016   34.243     49.927   11.144  5.5290  17.187  7.1772  -6.043117      9.059927 
1 1 1 -27 -2  7  o 34.225  6.1038  173.031    48.829   177.079    70.278   169.253    67.894   31.309  8.8551  30.771  8.7038  0.5370922      12.41647 
1 1 1 -27 -2  8  o 55.940  6.6656  471.662    88.694   377.183    105.256  703.029    164.714  44.985  9.9106  56.630  12.336  -11.64534      15.82417 
1 1 1 -27 -2  9  f 53.464  7.0751  440.109    89.529   421.566    104.748  490.376    172.463  49.116  9.1253  39.991  14.183  9.124477       16.86462 
1 1 1 -27 -2  10 o 32.580  6.9761  164.587    53.484   73.403     81.577   233.332    70.831   21.428  9.0740  37.721  7.9875  -16.29395      12.08877 
1 1 1 -27 -2  11 o 15.912  6.9911  14.402     52.040   4.8057     82.418   20.765     67.111   17.741  8.1910  17.536  7.8099  0.2051945      11.31759 
1 1 1 -27 -2  12 o 12.221  5.7914  -33.8001   45.925   -87.8220   73.168   1.3169     58.993   13.516  6.6198  15.729  7.1357  -2.212775      9.733405 
1 1 1 -27 -2  13 o 18.997  7.7909  48.671     57.391   82.449     85.416   20.872     77.488   22.138  9.3250  18.240  8.2354  3.897848       12.44092 
1 1 1 -27 -2  14 o 19.968  8.0010  59.182     58.928   134.918    87.063   -4.8484    80.052   25.917  9.9156  17.178  7.9802  8.739571       12.72809 
1 1 1 -27 -2  15 o 24.107  9.9307  113.002    93.766   126.041    183.891  108.421    109.000  24.272  11.527  23.693  10.268  0.5789585      15.43694 
1 1 1 -27 -2  16 o 24.650  10.119  122.411    96.930   77.687     190.712  137.988    112.552  23.175  11.195  25.231  10.670  -2.055893      15.46571 
1 1 1 -27 -2  17 o 19.584  8.9374  31.103     94.297   6.4553     194.231  38.704     107.861  21.814  10.705  20.432  9.4110  1.381828       14.25333 
1 1 1 -27 -2  18 o 17.150  7.4530  25.162     57.747   142.143    76.463   -130.1442  88.102   27.156  9.4583  13.863  6.8773  13.29366       11.69431 
1 1 1 -27 -2  19 o 21.088  8.2176  72.026     60.602   27.714     82.876   122.949    88.844   18.827  8.5071  24.798  9.8615  -5.971220      13.02382 
1 1 1 -27 -2  20 o 49.724  6.3909  366.907    75.322   381.099    106.231  352.560    106.813  45.215  9.9527  42.501  10.435  2.714050       14.41998 
1 1 1 -27 -2  21 o 56.952  5.8154  467.042    79.234   462.314    109.874  472.166    114.370  51.286  9.1657  51.127  9.5710  0.1589012      13.25195 
1 1 1 -27 -2  22 o 25.473  8.8345  120.215    66.675   245.961    91.759   -20.4499   97.049   35.016  10.187  17.516  8.3349  17.50031       13.16193 
1 1 1 -27 -2  23 o 15.877  7.2296  2.9950     61.277   -13.5614   81.494   24.533     92.948   16.691  7.8500  18.948  8.7306  -2.257267      11.74082 
1 1 1 -27 -2  24 o 31.196  8.6384  174.791    67.624   133.263    90.632   226.945    101.568  24.997  9.9541  31.417  10.903  -6.419529      14.76369 
1 1 1 -27 -2  25 o 23.932  8.7290  107.494    65.866   79.357     88.689   142.100    98.357   21.372  9.2619  25.095  10.235  -3.722326      13.80327 
1 1 1 -27 -2  26 o 12.780  6.1576  -49.1470   56.775   -52.8631   82.559   -45.8128   78.202   15.171  7.3382  15.047  7.2441  0.1245203      10.31148 
1 1 1 -27 -2  27 o 17.831  8.1031  25.666     76.489   107.079    86.948   -252.9816  160.857  22.788  9.4900  16.113  8.1592  6.674522       12.51533 
1 1 1 -27 -2  28 o 20.881  8.9583  79.473     81.352   46.808     92.901   186.901    168.475  19.330  8.8405  24.090  11.316  -4.759720      14.35994 
1 1 1 -27 -2  29 o 13.160  6.2922  -35.8417   56.707   -75.7062   78.353   8.0050     82.174   13.904  6.8180  17.069  7.9813  -3.165556      10.49693 
1 1 1 -27 -2  30 o 25.252  8.7903  129.245    66.039   118.342    91.687   141.000    95.199   22.705  9.6178  23.977  9.9531  -1.271929      13.84077 
1 1 1 -27 -2  31 o 34.118  8.8090  224.084    73.428   312.240    104.223  137.200    103.468  35.857  10.963  23.081  10.003  12.77649       14.84058 
1 1 1 -27 -2  32 o 15.202  7.2896  -23.1420   77.333   50.294     89.595   -237.6972  153.143  18.691  8.5973  15.309  7.7733  3.382893       11.59046 
1 1 1 -27 -2  33 o ?       ?       -155.3068  256.254  -155.3068  256.254  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -2  34 o ?       ?       -170.3295  258.904  -170.3295  258.904  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -2  35 o 58.838  11.243  833.534    154.664  946.457    337.882  803.601    173.959  25.622  12.829  49.007  13.957  -23.38486      18.95676 
1 1 1 -27 -2  36 o 23.170  8.7690  125.321    67.627   102.544    99.764   144.684    91.986   20.026  9.1598  22.511  9.5881  -2.484972      13.26021 
1 1 1 -27 -2  37 f 12.368  6.0177  -43.5685   57.643   5.6268     82.527   -90.4334   80.548   15.806  7.5660  12.976  6.4600  2.830128       9.948699 
1 1 1 -27 -2  38 o 16.494  7.5716  36.606     69.025   19.073     93.445   57.661     102.401  16.484  7.9318  17.872  8.5201  -1.388672      11.64066 
1 1 1 -27 -2  39 o 16.975  7.5473  49.325     62.402   111.684    95.739   3.2655     82.281   19.855  9.0394  15.492  7.4517  4.363461       11.71489 
1 1 1 -27 -2  40 o 13.151  6.3547  -27.2837   61.551   44.649     98.106   -73.9783   79.043   17.191  8.2344  13.070  6.4889  4.121332       10.48386 
1 1 1 -27 -2  41 o 28.504  9.2128  197.419    72.628   201.257    104.638  193.852    100.889  23.551  10.133  23.532  10.033  0.1913643E-01  14.25957 
1 1 1 -27 -2  42 o 14.792  6.9134  11.785     61.543   2.6220     87.915   20.591     86.180   15.600  7.5523  16.123  7.7216  -0.5234823     10.80100 
1 1 1 -27 -2  43 o 15.025  7.2739  -8.4294    81.554   63.361     96.003   -194.5549  154.579  17.811  8.4204  ?       ?       0.000000       8.420411 
1 1 1 -27 -2  44 o 14.057  6.8708  -34.0012   77.631   -115.0613  91.195   179.327    147.942  13.032  6.5446  20.439  9.8705  -7.406722      11.84306 
1 1 1 -27 -2  45 o 13.428  6.6476  -63.2967   80.728   0.0000     0.0000   -63.2967   80.728   ?       ?       13.428  6.6476  0.000000       6.647644 
1 1 1 -27 -2  46 o 18.595  8.5954  87.962     91.164   0.0000     0.0000   87.962     91.164   ?       ?       18.595  8.5954  0.000000       8.595438 
1 1 1 -27 -2  47 o 18.418  8.8084  99.878     111.290  821.107    569.773  71.271     113.476  ?       ?       17.592  8.5324  0.000000       8.532434 
1 1 1 -27 -2  48 o 15.570  7.6090  14.851     95.120   -277.8005  238.859  70.008     103.697  ?       ?       17.195  8.2941  0.000000       8.294096 
1 1 1 -27 -1  1  f 13.489  5.6235  15.767     30.576   -21.4097   44.160   50.005     42.378   12.424  5.8225  18.179  6.9268  -5.755135      9.048861 
1 1 1 -27 -1  2  o 11.136  5.1399  -13.7448   32.417   -45.5922   55.178   3.0409     40.059   12.730  6.1181  13.535  6.0306  -0.8052397     8.590631 
1 1 1 -27 -1  3  o 13.528  5.9544  5.8590     37.903   71.047     56.115   -48.8316   51.399   20.648  7.9459  12.154  5.8568  8.493693       9.871171 
1 1 1 -27 -1  4  f 8.7116  4.2832  -54.6932   31.571   -38.2433   44.224   -71.7892   45.084   11.652  5.5669  10.383  5.1076  1.268510       7.555042 
1 1 1 -27 -1  5  o 9.2898  4.5488  -54.4987   34.490   -96.8520   47.243   -6.1645    50.468   9.9148  4.9380  14.262  6.5202  -4.347599      8.179060 
1 1 1 -27 -1  6  o 10.222  4.9232  -41.4278   36.201   -112.0471  51.526   27.407     50.871   10.125  5.0606  16.710  7.1241  -6.584517      8.738542 
1 1 1 -27 -1  7  o 15.481  7.0103  2.1933     56.633   23.428     63.517   -80.1558   125.082  17.370  7.6738  17.558  8.6108  -0.1878891     11.53400 
1 1 1 -27 -1  8  o 17.180  7.3918  28.126     55.679   60.569     62.956   -88.3658   119.297  20.091  8.1905  17.094  8.3886  2.997221       11.72399 
1 1 1 -27 -1  9  f 33.944  7.0308  178.816    56.002   143.383    92.313   199.451    70.447   26.202  10.161  34.022  8.5452  -7.820726      13.27652 
1 1 1 -27 -1  10 o 12.012  5.6551  -27.9729   42.479   -62.7931   69.831   -7.5193    53.520   13.960  6.7514  14.638  6.7003  -0.6784544     9.511886 
1 1 1 -27 -1  11 o 15.661  6.8256  15.057     48.732   -33.7756   71.971   56.399     66.221   15.273  7.2411  19.938  8.2908  -4.664454      11.00775 
1 1 1 -27 -1  12 o 9.2317  4.6361  -115.4176  45.792   -203.7098  63.180   -17.7116   66.463   9.7720  4.9650  15.460  7.2119  -5.688147      8.755705 
1 1 1 -27 -1  13 o 9.7741  4.8804  -104.4122  47.398   -109.7365  66.531   -98.9249   67.542   12.172  6.0276  12.589  6.2041  -0.4168711     8.650064 
1 1 1 -27 -1  14 o 22.546  9.5380  87.916     89.985   395.541    188.031  -3.4660    102.482  33.350  13.928  18.648  8.7805  14.70176       16.46458 
1 1 1 -27 -1  15 o 19.477  8.8510  30.851     91.252   28.317     188.114  31.631     104.351  22.181  10.809  20.065  9.2472  2.116106       14.22497 
1 1 1 -27 -1  16 o 12.045  6.0630  -185.3056  80.835   -136.3069  164.570  -200.8863  92.801   18.546  9.2333  12.907  6.4969  5.638516       11.29001 
1 1 1 -27 -1  17 o 18.338  7.6958  40.546     57.832   59.833     78.192   17.255     85.928   20.529  8.7943  18.541  8.4880  1.987808       12.22235 
1 1 1 -27 -1  18 o 16.183  7.2616  8.8134     59.186   17.894     78.672   -3.0287    89.839   18.124  8.2292  17.874  8.3537  0.2496853      11.72624 
1 1 1 -27 -1  19 o 32.806  8.4749  185.432    67.939   97.628     91.395   293.871    101.569  23.019  9.6684  38.201  10.590  -15.18160      14.33953 
1 1 1 -27 -1  20 o 22.527  8.5462  88.233     64.332   16.228     87.786   171.757    94.548   18.499  8.5093  28.167  10.428  -9.668350      13.45911 
1 1 1 -27 -1  21 o 20.501  8.3514  65.779     65.396   134.656    89.098   -14.6608   96.287   25.506  9.9571  17.715  8.3920  7.791225       13.02189 
1 1 1 -27 -1  22 o 17.869  7.7029  34.358     60.700   57.122     80.724   4.7403     92.079   20.192  8.7932  18.140  8.4709  2.052109       12.20971 
1 1 1 -27 -1  23 o 15.780  7.2343  -0.8668    62.733   62.103     85.565   -74.0561   92.247   20.525  8.9924  15.473  7.5467  5.052144       11.73954 
1 1 1 -27 -1  24 o 15.835  7.3206  -4.4702    66.157   -61.0718   92.757   54.132     94.383   15.819  7.6819  20.227  9.1147  -4.407964      11.92011 
1 1 1 -27 -1  25 o 22.490  8.7611  93.723     68.867   68.802     93.663   123.049    101.606  20.812  9.2502  23.746  10.095  -2.934345      13.69192 
1 1 1 -27 -1  26 o 19.789  8.6693  57.684     79.516   61.010     90.640   46.575     165.667  20.217  9.0349  21.081  10.244  -0.8635159     13.65897 
1 1 1 -27 -1  27 o 15.971  7.5313  -13.3224   75.909   33.767     86.138   -177.0210  160.603  18.609  8.5113  16.989  8.5509  1.619703       12.06483 
1 1 1 -27 -1  28 o 34.143  10.312  254.836    92.621   236.627    106.698  310.509    186.568  30.203  11.096  26.911  12.388  3.292076       16.63099 
1 1 1 -27 -1  29 o 14.959  6.9550  -5.6544    60.995   4.6276     84.023   -17.1093   88.685   16.984  7.9824  16.444  7.8640  0.5400047      11.20541 
1 1 1 -27 -1  30 o 18.766  8.0726  55.354     66.377   14.133     94.865   94.892     92.909   17.701  8.3687  21.237  9.3357  -3.536520      12.53762 
1 1 1 -27 -1  31 o 15.537  7.4320  -19.5176   79.321   38.251     91.897   -188.3162  157.087  18.352  8.5340  16.121  8.1524  2.231647       11.80219 
1 1 1 -27 -1  32 o 16.947  8.0832  4.7587     92.430   4.7587     92.430   0.0000     0.0000   16.947  8.0832  ?       ?       0.000000       8.083184 
1 1 1 -27 -1  33 o ?       ?       13.431     268.287  13.431     268.287  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -1  34 o 17.186  8.2915  10.725     103.799  68.794     273.740  0.9734     112.176  ?       ?       17.174  8.3644  0.000000       8.364356 
1 1 1 -27 -1  35 o 24.009  8.9062  134.165    69.036   162.868    94.503   101.318    101.094  23.657  9.8764  20.123  9.2102  3.533636       13.50451 
1 1 1 -27 -1  36 o 26.848  9.0175  166.301    69.356   214.935    103.028  125.996    93.791   25.669  10.472  21.219  9.3521  4.449371       14.04044 
1 1 1 -27 -1  37 o 22.183  8.9512  125.823    74.321   140.076    101.250  109.172    109.439  21.281  9.5267  19.726  9.2195  1.554365       13.25738 
1 1 1 -27 -1  38 o 16.464  7.6263  35.001     72.322   65.844     101.436  3.1103     103.144  18.081  8.5796  16.255  7.9397  1.826221       11.68965 
1 1 1 -27 -1  39 o 14.471  6.8043  4.5565     61.165   86.176     94.119   -55.1152   80.476   18.738  8.6868  13.652  6.7365  5.085060       10.99277 
1 1 1 -27 -1  40 o 17.950  7.8190  65.541     63.866   85.360     99.856   51.822     83.081   18.580  8.7227  17.262  8.0562  1.317173       11.87386 
1 1 1 -27 -1  41 o 18.517  7.8515  73.052     61.199   60.177     91.010   83.679     82.684   17.635  8.2945  18.706  8.4707  -1.070974      11.85545 
1 1 1 -27 -1  42 o 17.748  8.1479  63.128     79.947   2.5222     91.966   250.597    161.747  15.753  7.6497  21.542  10.383  -5.789408      12.89659 
1 1 1 -27 -1  43 o 23.662  9.7674  175.771    90.942   91.444     107.303  390.797    171.346  18.789  8.8886  24.732  11.551  -5.942577      14.57537 
1 1 1 -27 -1  44 o 16.873  7.4748  48.710     60.673   -26.4566   89.636   112.269    82.425   14.887  7.2987  20.339  8.8704  -5.451475      11.48719 
1 1 1 -27 -1  45 o 17.972  8.3070  69.669     85.123   0.0000     0.0000   69.669     85.123   ?       ?       17.972  8.3070  0.000000       8.306991 
1 1 1 -27 -1  46 o ?       ?       -209.1891  67.024   0.0000     0.0000   -209.1891  67.024   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 -1  47 o 21.476  9.8193  196.542    114.510  52.138     496.373  204.659    117.684  ?       ?       21.568  9.8956  0.000000       9.895558 
1 1 1 -27 -1  48 o 17.302  8.2239  77.720     93.980   -63.8569   262.584  98.520     100.646  ?       ?       17.913  8.5134  0.000000       8.513357 
1 1 1 -27 0   1  o 9.9665  4.6455  -16.9940   27.489   -51.4713   38.917   17.336     38.834   10.144  4.9376  14.588  6.2220  -4.443878      7.943117 
1 1 1 -27 0   2  o 23.464  6.7034  87.647     40.065   110.421    59.390   68.626     54.277   24.636  8.3442  20.380  7.8215  4.255905       11.43684 
1 1 1 -27 0   3  o 31.616  6.1973  150.158    45.841   196.364    65.581   106.011    64.103   33.997  8.0708  23.956  8.6304  10.04145       11.81616 
1 1 1 -27 0   4  f 14.658  6.2307  16.902     38.704   29.215     54.512   4.3852     54.962   17.047  7.3238  15.369  6.9378  1.677810       10.08817 
1 1 1 -27 0   5  o 15.900  6.6839  24.746     43.742   74.117     66.211   -13.4905   58.268   21.132  8.4763  14.720  6.8280  6.411853       10.88436 
1 1 1 -27 0   6  o 19.230  8.2696  46.962     69.622   16.452     83.794   114.983    125.118  18.239  8.3616  23.626  10.582  -5.386095      13.48720 
1 1 1 -27 0   7  o 24.629  9.4029  116.653    78.187   169.687    94.437   1.0709     139.415  28.013  10.412  20.176  9.7036  7.837008       14.23237 
1 1 1 -27 0   8  o 30.258  9.8265  180.753    82.560   200.702    98.633   134.064    150.894  30.261  10.726  24.421  11.205  5.840086       15.51123 
1 1 1 -27 0   9  o 55.404  5.6293  435.930    74.625   470.575    125.624  417.038    92.767   48.889  10.871  51.172  7.7106  -2.283543      13.32815 
1 1 1 -27 0   10 o 20.351  7.5203  64.534     49.130   -35.7222   73.192   146.753    66.282   15.307  7.2704  28.684  8.7368  -13.37630      11.36624 
1 1 1 -27 0   11 o 9.2997  4.6572  -106.2155  44.646   -173.3564  66.537   -51.2305   60.214   10.715  5.4070  13.328  6.4017  -2.612249      8.379586 
1 1 1 -27 0   12 o 9.7744  4.8877  -109.5843  48.347   -57.1956   69.080   -159.8798  67.686   14.103  6.7943  11.123  5.5924  2.979528       8.799858 
1 1 1 -27 0   13 o 10.245  5.1912  -195.0668  65.889   -369.0729  157.325  -158.0538  72.559   ?       ?       11.715  5.8767  0.000000       5.876750 
1 1 1 -27 0   14 o 20.176  8.9566  47.731     87.550   -17.0808   177.219  68.655     100.696  21.087  10.322  21.628  9.6031  -0.5408154     14.09871 
1 1 1 -27 0   15 o 18.613  8.4653  20.750     83.693   61.997     179.643  9.3156     94.585   22.759  10.963  18.705  8.6845  4.054508       13.98577 
1 1 1 -27 0   16 o 14.041  6.5924  -26.4792   57.048   -30.5239   79.011   -22.0742   82.456   16.033  7.5972  16.641  7.8476  -0.6076508     10.92256 
1 1 1 -27 0   17 o 18.456  7.8278  40.054     60.859   -14.7856   81.807   108.020    91.072   16.867  7.9113  23.782  9.7907  -6.914370      12.58754 
1 1 1 -27 0   18 o 52.796  6.0451  404.792    76.045   478.906    106.238  326.916    108.900  53.637  8.4420  39.919  10.925  13.71804       13.80665 
1 1 1 -27 0   19 o 37.193  8.0067  227.716    70.118   99.328     95.302   379.232    103.531  23.086  9.7939  45.684  9.6428  -22.59722      13.74424 
1 1 1 -27 0   20 o 33.283  8.4135  190.429    67.982   179.630    93.268   202.669    99.297   28.890  10.410  30.210  10.756  -1.320257      14.96888 
1 1 1 -27 0   21 o 27.957  8.7076  141.668    65.409   207.909    88.290   61.086     97.380   31.915  10.141  20.888  9.3476  11.02634       13.79212 
1 1 1 -27 0   22 o 18.957  8.0263  47.545     63.803   93.813     85.979   -9.1599    95.183   22.534  9.4151  17.762  8.3933  4.771652       12.61317 
1 1 1 -27 0   23 o 16.931  7.5564  18.946     63.178   -41.7221   84.628   95.323     94.955   15.848  7.6060  22.473  9.6609  -6.625970      12.29569 
1 1 1 -27 0   24 o 27.733  8.9127  145.423    68.048   173.275    93.511   114.072    99.211   27.745  10.351  23.374  9.9567  4.370274       14.36224 
1 1 1 -27 0   25 o 22.820  9.3714  103.120    83.182   55.000     95.096   259.875    171.636  20.105  9.0961  27.051  12.231  -6.945608      15.24263 
1 1 1 -27 0   26 o 16.055  7.5541  -11.9940   75.608   3.7015     87.715   -57.3703   149.142  17.464  8.1914  18.508  9.1395  -1.044096      12.27313 
1 1 1 -27 0   27 o 12.742  6.2997  -98.0125   71.627   -149.4389  82.566   58.401     143.994  12.608  6.3168  20.748  9.9483  -8.140260      11.78439 
1 1 1 -27 0   28 o 16.300  7.7835  -18.8768   86.196   -116.4625  269.455  -7.7526    90.976   ?       ?       16.965  8.0719  0.000000       8.071860 
1 1 1 -27 0   29 o 14.551  6.9009  -22.0600   65.468   12.678     91.155   -59.0695   94.087   17.577  8.2777  15.461  7.5583  2.116254       11.20931 
1 1 1 -27 0   30 o 14.805  6.9513  -10.3305   63.437   7.7704     91.890   -26.8117   87.683   17.275  8.1879  15.882  7.6523  1.393120       11.20713 
1 1 1 -27 0   31 o 23.110  9.8115  136.154    95.766   136.154    95.766   0.0000     0.0000   23.110  9.8115  ?       ?       0.000000       9.811543 
1 1 1 -27 0   32 o 25.385  12.580  616.119    291.867  616.119    291.867  0.0000     0.0000   25.385  12.580  ?       ?       0.000000       12.58031 
1 1 1 -27 0   33 o 22.029  9.8773  138.656    109.299  441.815    259.612  73.346     120.498  23.710  11.770  19.453  9.2652  4.256275       14.97894 
1 1 1 -27 0   34 o 39.274  8.4213  294.986    77.841   307.882    107.163  280.582    113.256  32.630  11.207  29.319  11.287  3.311003       15.90539 
1 1 1 -27 0   35 o 24.927  9.0654  148.010    70.966   296.784    104.667  21.421     96.548   31.687  11.064  17.009  8.1531  14.67741       13.74384 
1 1 1 -27 0   36 f 15.440  7.2476  11.610     68.884   27.396     94.761   -6.0769    100.308  16.962  8.1165  16.143  7.8726  0.8195076      11.30730 
1 1 1 -27 0   37 f 15.729  7.3475  20.191     69.370   30.721     95.130   8.2337     101.377  16.917  8.1045  16.407  7.9822  0.5094643      11.37538 
1 1 1 -27 0   38 o 18.227  7.8200  67.692     61.999   85.793     91.859   52.548     84.023   18.818  8.6737  17.411  8.1175  1.406679       11.87972 
1 1 1 -27 0   39 o 14.294  6.7474  0.9511     61.227   37.127     89.218   -31.2539   84.179   16.810  7.9968  14.484  7.0951  2.326345       10.69060 
1 1 1 -27 0   40 o 35.626  8.7452  268.903    75.037   78.904     112.665  420.374    100.595  18.272  8.7713  42.210  9.9792  -23.93836      13.28606 
1 1 1 -27 0   41 o 22.816  8.6740  128.628    66.361   89.190     102.756  156.846    86.917   18.673  8.7921  22.719  9.4772  -4.046795      12.92745 
1 1 1 -27 0   42 o 15.722  7.4846  15.402     78.440   -67.9562   90.300   271.669    158.330  13.910  6.9112  22.284  10.615  -8.373951      12.66685 
1 1 1 -27 0   43 o 15.891  7.5463  18.721     78.783   1.7123     90.317   72.849     161.116  15.722  7.6223  18.234  9.0876  -2.512341      11.86103 
1 1 1 -27 0   44 o 18.137  8.4487  72.246     90.703   0.0000     0.0000   72.246     90.703   ?       ?       18.137  8.4487  0.000000       8.448738 
1 1 1 -27 0   45 o 17.821  8.3449  68.449     90.387   0.0000     0.0000   68.449     90.387   ?       ?       17.821  8.3449  0.000000       8.344926 
1 1 1 -27 0   46 o 19.473  9.0745  125.556    104.799  -356.0442  519.346  145.999    107.000  ?       ?       20.175  9.3209  0.000000       9.320927 
1 1 1 -27 0   47 o 18.133  8.4890  93.696     93.439   -62.8428   243.866  120.632    101.159  ?       ?       18.951  8.8594  0.000000       8.859358 
1 1 1 -27 1   1  o 30.402  5.9621  138.001    42.409   173.392    60.177   103.081    59.775   31.997  7.8177  23.728  8.3566  8.269049       11.44328 
1 1 1 -27 1   2  o 56.924  6.8534  501.093    92.757   866.763    123.141  21.486     141.027  74.911  6.8506  20.267  9.7504  54.64346       11.91645 
1 1 1 -27 1   3  o 28.751  7.1093  132.525    49.317   121.204    75.633   140.900    65.048   24.800  9.2977  27.689  8.6933  -2.888779      12.72878 
1 1 1 -27 1   4  o 9.5571  4.6991  -63.4090   38.011   -96.3776   63.420   -44.9258   47.486   12.082  5.9650  11.839  5.6863  0.2425537      8.241075 
1 1 1 -27 1   5  o 11.793  5.8329  -99.7408   61.636   -131.7645  73.869   -26.3538   111.825  12.361  6.1591  18.169  8.7263  -5.808510      10.68099 
1 1 1 -27 1   6  o 15.019  7.0737  -25.7072   66.589   23.792     80.038   -137.0126  120.020  18.409  8.3353  16.085  7.9876  2.324263       11.54466 
1 1 1 -27 1   7  o 21.731  8.9560  79.226     76.304   96.958     92.099   40.413     136.260  22.943  9.6746  21.209  10.028  1.733892       13.93427 
1 1 1 -27 1   8  o 26.689  7.7918  118.858    53.601   204.881    89.454   70.671     66.951   31.753  10.220  21.034  8.4930  10.71899       13.28861 
1 1 1 -27 1   9  o 20.462  7.6757  65.611     51.560   62.936     74.050   68.129     71.833   20.614  8.6828  20.940  8.6653  -0.3257904     12.26693 
1 1 1 -27 1   10 o 15.602  6.9247  9.3928     52.311   -18.3791   80.409   29.771     68.879   16.626  7.8124  18.224  8.0240  -1.598217      11.19909 
1 1 1 -27 1   11 o 9.2973  4.6649  -113.1963  45.837   -75.5023   70.854   -140.3260  60.111   13.663  6.6530  10.625  5.3326  3.038198       8.526386 
1 1 1 -27 1   12 o 27.282  8.5934  131.478    63.504   105.624    85.351   163.539    95.046   23.765  9.5915  27.752  10.419  -3.986904      14.16181 
1 1 1 -27 1   13 o 18.634  8.3424  27.625     77.659   -293.3112  178.103  102.967    86.294   17.093  8.6479  23.563  9.5955  -6.469322      12.91744 
1 1 1 -27 1   14 o 31.660  10.596  210.728    95.753   379.193    193.810  156.328    110.133  32.140  13.809  26.437  10.811  5.702971       17.53774 
1 1 1 -27 1   15 o 13.721  6.4477  -27.5573   54.783   -77.8655   76.211   26.232     78.804   14.138  6.8875  18.605  8.3614  -4.467648      10.83286 
1 1 1 -27 1   16 o 10.606  5.2614  -96.3554   51.516   -108.3239  71.855   -83.6973   73.896   12.800  6.3251  13.716  6.7039  -0.9159269     9.216780 
1 1 1 -27 1   17 o 19.717  8.0853  55.722     61.806   32.978     84.028   82.532     91.230   19.185  8.6270  22.144  9.4930  -2.958956      12.82742 
1 1 1 -27 1   18 o 28.759  8.6908  147.656    65.775   214.183    91.211   75.578     94.940   32.365  10.310  21.747  9.5015  10.61727       14.02055 
1 1 1 -27 1   19 o 17.784  7.7167  31.062     61.720   43.771     84.657   16.644     90.173   19.698  8.7723  18.645  8.5940  1.053099       12.28050 
1 1 1 -27 1   20 o 27.467  8.6768  136.359    64.705   137.710    87.055   134.691    96.720   25.850  9.9092  25.191  10.195  0.6587238      14.21739 
1 1 1 -27 1   21 o 13.288  6.3528  -42.8246   57.788   -67.0697   77.396   -12.2799   86.871   14.467  7.0235  17.156  8.0800  -2.689623      10.70587 
1 1 1 -27 1   22 o 11.925  5.8734  -88.4003   60.236   -62.1006   81.894   -119.3998  88.910   14.983  7.2628  14.050  6.9594  0.9334717      10.05884 
1 1 1 -27 1   23 o 16.851  7.5126  19.265     62.267   -34.2359   86.517   76.756     89.686   16.207  7.7552  21.319  9.2764  -5.112148      12.09109 
1 1 1 -27 1   24 o 18.407  8.0114  40.582     66.929   124.890    93.574   -47.7225   95.767   24.091  9.9219  16.344  7.9051  7.746212       12.68598 
1 1 1 -27 1   25 o 14.321  6.9428  -58.2377   74.910   -48.4412   86.817   -86.7863   148.205  15.613  7.5452  18.006  8.9304  -2.392757      11.69111 
1 1 1 -27 1   26 o 23.394  9.5263  116.064    85.046   113.655    99.375   122.656    164.407  22.851  9.8534  22.612  10.784  0.2393494      14.60769 
1 1 1 -27 1   27 f 19.672  9.1055  50.472     102.805  0.0000     0.0000   50.472     102.805  ?       ?       19.672  9.1055  0.000000       9.105528 
1 1 1 -27 1   28 o 16.448  7.5273  13.928     67.499   100.491    95.679   -71.8384   95.238   21.738  9.5168  15.255  7.4881  6.482493       12.10954 
1 1 1 -27 1   29 o 18.018  8.0105  41.936     70.285   -10.7101   97.731   98.334     101.153  16.993  8.1604  21.329  9.5372  -4.336367      12.55185 
1 1 1 -27 1   30 o 23.178  9.8906  136.926    98.209   136.926    98.209   0.0000     0.0000   23.178  9.8906  ?       ?       0.000000       9.890554 
1 1 1 -27 1   31 o ?       ?       15.193     268.158  15.193     268.158  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 1   32 o ?       ?       93.280     294.094  93.280     294.094  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 1   33 o 19.618  9.1354  83.004     105.905  -261.6222  282.769  139.233    114.219  ?       ?       21.703  9.8779  0.000000       9.877864 
1 1 1 -27 1   34 o 18.096  8.0330  57.511     70.423   -14.1468   97.840   134.543    101.443  16.085  7.8293  21.635  9.6209  -5.549995      12.40402 
1 1 1 -27 1   35 o 41.940  7.9940  328.816    78.380   415.585    115.571  254.916    106.657  38.380  11.503  27.809  10.884  10.57092       15.83545 
1 1 1 -27 1   36 o 32.108  9.6413  246.113    81.139   255.686    110.468  234.898    119.566  26.773  10.875  24.489  10.682  2.284002       15.24344 
1 1 1 -27 1   37 o 14.065  6.6527  -4.0572    60.062   -6.5085    87.182   -1.8427    82.864   15.435  7.4843  15.400  7.4247  0.3443432E-01  10.54236 
1 1 1 -27 1   38 o 28.815  9.1073  195.985    71.278   176.596    105.864  212.063    96.404   22.313  9.8797  25.403  10.214  -3.090324      14.21067 
1 1 1 -27 1   39 o 19.645  8.2114  89.937     65.437   79.118     95.776   99.409     89.615   18.373  8.5992  19.337  8.7812  -0.9639931     12.29045 
1 1 1 -27 1   40 o 13.248  6.3828  -23.0804   60.978   -40.2445   89.490   -8.2037    83.314   14.486  7.1393  15.081  7.3138  -0.5956020     10.22064 
1 1 1 -27 1   41 o 12.395  6.1770  -87.7775   74.370   -74.2193   85.120   -131.5119  152.878  13.451  6.6876  15.343  7.7882  -1.891731      10.26550 
1 1 1 -27 1   42 o 17.582  8.2295  57.399     87.754   47.282     102.993  84.202     167.635  17.371  8.3511  18.395  9.1837  -1.023485      12.41298 
1 1 1 -27 1   43 o 18.093  8.4319  70.341     90.496   0.0000     0.0000   70.341     90.496   ?       ?       18.093  8.4319  0.000000       8.431884 
1 1 1 -27 1   44 o 17.584  8.1943  60.769     85.448   0.0000     0.0000   60.769     85.448   ?       ?       17.584  8.1943  0.000000       8.194320 
1 1 1 -27 1   45 o 16.540  7.4123  46.983     61.460   10.227     90.018   79.078     84.118   15.705  7.6130  18.194  8.3544  -2.488983      11.30287 
1 1 1 -27 1   46 o 19.492  8.9448  123.712    96.217   217.932    245.894  106.677    104.553  ?       ?       18.576  8.7836  0.000000       8.783644 
1 1 1 -27 1   47 o 16.432  7.9490  50.778     96.932   -150.9848  243.061  88.935     105.701  ?       ?       17.526  8.4341  0.000000       8.434105 
1 1 1 -27 2   1  o 19.154  6.8800  57.230     40.708   63.008     65.736   53.636     51.846   19.945  8.2743  18.868  7.5238  1.077501       11.18361 
1 1 1 -27 2   2  o 31.026  6.7844  150.444    49.651   162.974    79.903   142.562    63.371   28.208  9.6775  27.998  8.5461  0.2092819      12.91087 
1 1 1 -27 2   3  o 19.052  7.2212  55.173     45.904   85.903     70.624   32.693     60.404   21.984  8.7767  17.662  7.6487  4.322554       11.64187 
1 1 1 -27 2   4  o 16.062  7.2598  7.1715     60.404   10.184     68.599   -3.2245    127.439  16.880  7.6721  19.460  9.3382  -2.579865      12.08570 
1 1 1 -27 2   5  o 33.015  9.0768  198.913    74.971   194.356    86.200   213.065    151.910  30.900  10.041  27.126  11.931  3.774099       15.59371 
1 1 1 -27 2   6  f 50.141  7.6464  401.198    90.084   430.990    104.758  316.641    176.487  49.817  8.9977  30.267  13.091  19.55007       15.88490 
1 1 1 -27 2   7  o 51.137  5.1636  363.877    63.192   420.628    92.175   313.549    86.802   51.466  7.6108  42.933  8.6317  8.532379       11.50786 
1 1 1 -27 2   8  o 24.901  7.8159  103.995    52.584   96.903     77.228   110.126    71.798   23.124  9.1948  24.405  9.0767  -1.280924      12.92013 
1 1 1 -27 2   9  o 19.240  7.6163  53.410     52.770   11.687     73.874   96.883     75.407   17.505  7.9582  23.187  9.1280  -5.681421      12.11003 
1 1 1 -27 2   10 o 12.998  6.1071  -27.4290   49.113   -29.2321   76.011   -26.1368   64.349   15.820  7.4830  14.849  6.9813  0.9705315      10.23394 
1 1 1 -27 2   11 o 23.988  8.6131  101.535    63.795   113.673    89.332   88.902     91.134   24.240  9.8023  22.587  9.5794  1.652464       13.70588 
1 1 1 -27 2   12 o 19.389  8.5800  39.572     79.730   -100.8799  232.620  58.268     84.871   21.102  10.577  20.653  9.0045  0.4490280      13.89074 
1 1 1 -27 2   13 o 21.249  9.1797  67.664     86.579   239.449    209.163  32.145     95.109   26.879  12.621  19.699  8.9843  7.180128       15.49198 
1 1 1 -27 2   14 o 23.018  9.2362  94.856     78.646   -74.3964   184.772  132.304    86.912   20.249  10.030  25.706  9.8898  -5.457283      14.08613 
1 1 1 -27 2   15 o 14.337  6.6913  -21.0133   57.331   7.7093     83.101   -47.1000   79.196   17.931  8.2596  15.423  7.3904  2.508643       11.08329 
1 1 1 -27 2   16 o 13.480  6.4069  -38.0528   57.020   -34.7936   79.298   -41.5422   82.050   15.866  7.5451  15.850  7.5755  0.1594925E-01  10.69187 
1 1 1 -27 2   17 o 28.504  8.8753  147.601    67.958   219.870    94.954   71.711     97.304   32.387  10.539  21.584  9.5186  10.80342       14.20140 
1 1 1 -27 2   18 o 48.545  6.6195  354.158    75.938   206.770    105.937  509.932    108.910  29.921  11.046  55.378  8.3660  -25.45726      13.85636 
1 1 1 -27 2   19 o 63.806  5.5599  577.932    85.218   489.285    117.675  675.690    123.574  51.804  9.7188  64.130  8.1236  -12.32643      12.66679 
1 1 1 -27 2   20 o 35.880  8.4375  220.994    72.222   178.295    99.251   269.046    105.290  28.099  10.626  34.893  11.073  -6.794016      15.34688 
1 1 1 -27 2   21 o 13.308  6.4106  -52.4234   61.450   -68.0460   84.023   -34.4584   90.102   14.996  7.2891  16.536  7.9128  -1.539480      10.75842 
1 1 1 -27 2   22 o 34.253  8.7436  209.675    72.917   221.074    100.622  197.069    105.814  31.051  10.848  28.609  10.935  2.442310       15.40294 
1 1 1 -27 2   23 o 30.985  8.9285  178.579    70.795   173.925    94.939   184.409    106.251  27.617  10.405  27.466  10.828  0.1504536      15.01674 
1 1 1 -27 2   24 o 16.617  7.7792  -5.1335    78.465   -58.0312   91.588   140.806    152.128  15.699  7.6260  23.570  10.967  -7.870255      13.35760 
1 1 1 -27 2   25 o 15.261  7.3843  -50.5827   83.786   -27.3916   97.040   -118.5122  166.082  16.875  8.1111  18.054  9.0324  -1.178614      12.13979 
1 1 1 -27 2   26 o 19.380  9.5313  -11.7232   156.681  0.0000     0.0000   -11.7232   156.681  ?       ?       19.380  9.5313  0.000000       9.531287 
1 1 1 -27 2   27 o 15.423  7.1767  -3.8601    65.162   -10.2440   87.838   3.9529     97.173   16.680  7.9347  17.652  8.3819  -0.9718685     11.54193 
1 1 1 -27 2   28 o 22.094  9.0821  102.452    78.217   14.558     110.867  189.552    110.365  18.350  8.7803  25.985  10.746  -7.635021      13.87683 
1 1 1 -27 2   29 f 24.488  10.581  174.677    115.064  174.677    115.064  0.0000     0.0000   24.488  10.581  ?       ?       0.000000       10.58076 
1 1 1 -27 2   30 o 12.602  6.3309  -150.0729  85.836   -150.0729  85.836   0.0000     0.0000   12.602  6.3309  ?       ?       0.000000       6.330910 
1 1 1 -27 2   31 o 21.682  11.010  283.148    307.638  283.148    307.638  0.0000     0.0000   21.682  11.010  ?       ?       0.000000       11.01015 
1 1 1 -27 2   32 o 16.918  8.3015  -18.6385   116.734  581.874    298.781  -126.8195  126.814  24.041  12.041  15.297  7.6863  8.743904       14.28483 
1 1 1 -27 2   33 o 30.693  8.8006  196.224    68.935   73.142     101.832  300.340    93.658   19.086  8.9113  35.298  10.298  -16.21122      13.61847 
1 1 1 -27 2   34 o 34.722  8.7910  247.390    74.137   182.875    112.309  297.215    98.697   23.151  10.217  33.093  10.744  -9.942347      14.82625 
1 1 1 -27 2   35 o 20.302  8.6265  98.660     74.136   150.900    103.052  42.621     106.734  21.818  9.6998  17.635  8.4837  4.182962       12.88636 
1 1 1 -27 2   36 o 14.861  6.9385  10.078     61.728   -85.3199   90.151   94.285     84.698   13.637  6.7963  19.479  8.7173  -5.842707      11.05360 
1 1 1 -27 2   37 o 17.141  7.6654  51.555     65.364   161.525    101.070  -27.5069   85.697   21.972  9.6949  14.705  7.1940  7.267215       12.07247 
1 1 1 -27 2   38 o 14.651  6.8572  9.2453     60.912   -25.5162   89.904   38.743     82.818   14.901  7.3062  16.730  7.8822  -1.829284      10.74757 
1 1 1 -27 2   39 o 21.101  8.5912  112.331    69.156   114.673    100.358  110.214    95.431   19.668  9.0660  19.626  8.9697  0.4276657E-01  12.75336 
1 1 1 -27 2   40 o 15.846  7.6132  13.412     85.276   1.1080     99.698   46.950     164.603  15.934  7.7876  17.741  8.8928  -1.806783      11.82069 
1 1 1 -27 2   41 o 14.780  7.2200  -22.3687   85.383   -38.8815   100.100  21.732     163.585  15.015  7.4279  17.431  8.7547  -2.415477      11.48128 
1 1 1 -27 2   42 o ?       ?       -256.6862  139.713  0.0000     0.0000   -256.6862  139.713  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 2   43 o 11.912  5.9607  -102.1467  72.460   0.0000     0.0000   -102.1467  72.460   ?       ?       11.912  5.9607  0.000000       5.960734 
1 1 1 -27 2   44 o 24.301  10.050  202.788    96.544   179.934    513.587  203.625    98.296   ?       ?       24.127  10.073  0.000000       10.07264 
1 1 1 -27 2   45 o 18.524  8.7100  98.035     100.209  83.147     240.071  101.176    110.276  ?       ?       18.461  8.8120  0.000000       8.811973 
1 1 1 -27 2   46 o 16.363  7.9244  42.628     96.995   422.171    241.673  -30.2469   105.898  19.906  10.071  14.826  7.3855  5.079533       12.48896 
1 1 1 -27 3   1  o 13.607  5.9492  7.8690     37.280   8.4621     56.704   7.4176     49.475   15.676  7.0643  14.935  6.6747  0.7404814      9.718884 
1 1 1 -27 3   2  o 19.340  7.0178  58.188     42.493   60.336     64.356   56.527     56.581   19.825  8.2026  19.338  7.8077  0.4870014      11.32446 
1 1 1 -27 3   3  o 20.047  8.2862  61.850     65.581   15.871     74.764   215.295    136.579  17.547  7.9884  27.620  11.721  -10.07282      14.18457 
1 1 1 -27 3   4  o 27.225  9.1751  141.820    71.804   138.239    81.835   153.800    149.679  26.078  9.6920  24.738  11.278  1.339375       14.87041 
1 1 1 -27 3   5  o 12.983  6.2137  -44.1145   55.596   -31.9006   61.028   -103.7116  134.807  14.149  6.6966  17.538  8.6656  -3.388392      10.95161 
1 1 1 -27 3   6  o 20.861  7.4917  69.758     48.266   108.795    67.634   29.244     68.901   24.364  8.8517  18.085  7.9909  6.279343       11.92503 
1 1 1 -27 3   7  o 42.709  5.9315  264.484    59.809   259.041    88.423   269.074    81.202   37.185  9.6990  39.556  8.6972  -2.371136      13.02731 
1 1 1 -27 3   8  o 57.281  5.3487  459.839    73.481   513.503    103.921  406.182    103.914  56.671  7.7615  48.048  9.2489  8.622688       12.07403 
1 1 1 -27 3   9  o 27.232  8.3095  128.593    59.918   132.900    86.339   124.592    83.220   25.714  9.8656  25.186  9.6804  0.5283337      13.82177 
1 1 1 -27 3   10 o 11.419  5.6147  -82.5170   54.263   -93.4252   82.305   -74.1300   72.169   14.256  6.9901  13.828  6.7290  0.4282904      9.702643 
1 1 1 -27 3   11 o 21.175  8.9739  69.194     79.880   -203.4211  229.713  106.694    85.197   19.852  10.021  23.788  9.5892  -3.936520      13.86976 
1 1 1 -27 3   12 o ?       ?       -226.2889  62.174   -178.4491  223.242  -230.3115  64.735   19.946  10.044  ?       ?       0.000000       10.04446 
1 1 1 -27 3   13 o 18.346  8.1994  26.219     74.673   142.117    232.028  12.828     78.869   24.530  11.965  17.901  8.1709  6.628399       14.48885 
1 1 1 -27 3   14 o 11.714  5.7181  -70.0141   53.281   -87.3136   75.804   -53.1223   74.906   13.794  6.7522  14.805  7.1185  -1.010386      9.811503 
1 1 1 -27 3   15 f 33.430  8.2249  188.233    66.259   194.920    94.433   181.749    92.992   30.261  10.513  29.270  10.411  0.9906464      14.79526 
1 1 1 -27 3   16 o 50.808  6.2815  380.206    75.790   385.471    107.843  375.069    106.536  45.356  10.062  44.700  10.065  0.6564522      14.23220 
1 1 1 -27 3   17 o 48.100  6.5874  347.209    74.862   313.556    106.711  379.822    105.049  38.936  10.876  45.344  9.8313  -6.408104      14.66112 
1 1 1 -27 3   18 o 25.568  8.8027  120.028    66.137   84.433     92.934   156.553    94.142   22.102  9.5295  26.918  10.308  -4.815742      14.03798 
1 1 1 -27 3   19 o 15.954  7.3024  0.0121     63.558   3.4984     86.866   -4.0046    93.241   17.807  8.2861  17.884  8.4066  -0.7645416E-01 11.80382 
1 1 1 -27 3   20 o 30.017  8.8193  164.400    68.477   154.590    92.597   176.241    101.728  26.645  10.218  27.623  10.679  -0.9785175     14.78044 
1 1 1 -27 3   21 f 25.313  8.9105  121.323    67.955   34.802     91.563   227.418    101.393  19.274  8.8000  31.513  10.896  -12.23904      14.00607 
1 1 1 -27 3   22 o 29.878  8.9220  166.832    69.626   272.486    93.741   36.822     103.986  36.712  10.172  19.704  9.1334  17.00800       13.67099 
1 1 1 -27 3   23 f 21.045  9.2796  74.857     92.444   13.692     105.966  269.694    189.125  18.807  8.8774  26.613  12.329  -7.805902      15.19284 
1 1 1 -27 3   24 o 23.135  9.6290  112.579    89.438   88.334     102.587  189.388    182.593  21.628  9.6424  24.286  11.520  -2.658573      15.02289 
1 1 1 -27 3   25 f 20.137  9.9319  6.7519     174.277  0.0000     0.0000   6.7519     174.277  ?       ?       20.137  9.9319  0.000000       9.931915 
1 1 1 -27 3   26 o 19.701  8.9868  56.606     95.220   419.487    275.911  7.5435     101.453  25.561  12.586  17.995  8.5508  7.566141       15.21574 
1 1 1 -27 3   27 o 19.327  8.4702  59.734     75.966   12.077     109.458  104.019    105.514  18.277  8.7395  21.712  9.7221  -3.434795      13.07283 
1 1 1 -27 3   28 o 20.167  9.3814  72.762     111.233  72.762     111.233  0.0000     0.0000   20.167  9.3814  ?       ?       0.000000       9.381392 
1 1 1 -27 3   29 o 19.871  9.1842  72.402     104.039  72.402     104.039  0.0000     0.0000   19.871  9.1842  ?       ?       0.000000       9.184199 
1 1 1 -27 3   30 o 21.884  11.058  267.262    283.982  267.262    283.982  0.0000     0.0000   21.884  11.058  ?       ?       0.000000       11.05784 
1 1 1 -27 3   31 o 19.114  9.1032  61.811     116.297  -55.6297   298.034  82.905     126.310  ?       ?       19.794  9.4435  0.000000       9.443532 
1 1 1 -27 3   32 o 13.417  6.5629  -54.6106   71.237   30.622     107.925  -120.4128  94.828   17.813  8.5597  13.583  6.8002  4.229195       10.93214 
1 1 1 -27 3   33 o 34.089  9.0590  245.548    76.210   161.851    112.368  316.841    103.707  22.295  10.005  33.733  11.016  -11.43801      14.88107 
1 1 1 -27 3   34 o 24.315  8.9493  142.104    69.457   179.151    108.933  116.725    90.161   22.938  10.095  20.792  9.1664  2.145271       13.63596 
1 1 1 -27 3   35 o 27.892  9.0329  180.860    69.794   127.300    101.957  228.090    95.742   20.576  9.3523  27.124  10.393  -6.548330      13.98159 
1 1 1 -27 3   36 o 19.682  8.2621  89.477     66.684   103.661    97.296   76.912     91.575   19.494  8.9637  18.451  8.5592  1.042515       12.39385 
1 1 1 -27 3   37 o 18.681  8.0932  77.301     67.675   80.543     103.089  74.845     89.714   18.397  8.7058  18.257  8.4699  0.1402569      12.14624 
1 1 1 -27 3   38 o 18.630  8.0747  77.235     67.428   120.988    102.601  43.973     89.459   19.850  9.1556  16.998  8.0630  2.851740       12.19987 
1 1 1 -27 3   39 o 17.649  7.8298  61.888     66.806   183.650    104.205  -23.0825   87.049   22.613  9.9150  14.798  7.2417  7.815255       12.27796 
1 1 1 -27 3   40 o 16.938  7.9679  44.365     84.034   20.857     96.877   115.814    168.895  16.399  7.9364  18.753  9.3394  -2.354275      12.25611 
1 1 1 -27 3   41 o 16.222  8.2059  -71.2306   160.019  0.0000     0.0000   -71.2306   160.019  ?       ?       16.222  8.2059  0.000000       8.205939 
1 1 1 -27 3   42 f 17.849  8.2834  65.391     85.899   0.0000     0.0000   65.391     85.899   ?       ?       17.849  8.2834  0.000000       8.283400 
1 1 1 -27 3   43 o 19.428  8.7896  103.882    88.793   -207.7883  363.859  123.618    91.561   ?       ?       20.294  9.0741  0.000000       9.074107 
1 1 1 -27 3   44 f 21.241  9.6201  168.774    106.684  144.862    282.801  172.742    115.196  ?       ?       20.895  9.6598  0.000000       9.659805 
1 1 1 -27 3   45 o 12.553  6.2554  -75.0787   76.239   -629.9788  278.320  -30.0645   79.271   ?       ?       13.866  6.8111  0.000000       6.811123 
1 1 1 -27 3   46 f 13.862  6.8377  -27.3168   82.671   -395.3473  291.430  4.8906     86.213   ?       ?       14.856  7.2569  0.000000       7.256862 
1 1 1 -27 4   1  o 30.246  6.8182  144.061    48.842   165.868    72.735   126.152    65.912   29.254  9.1940  25.798  8.7902  3.455755       12.71994 
1 1 1 -27 4   2  f 31.625  9.3812  192.737    77.167   254.532    88.247   -8.0458    159.070  36.089  9.8172  20.129  9.8376  15.96036       13.89801 
1 1 1 -27 4   3  o 17.275  7.9305  9.2129     75.737   9.2129     75.737   0.0000     0.0000   17.275  7.9305  ?       ?       0.000000       7.930470 
1 1 1 -27 4   4  o 15.031  7.1019  -27.4232   68.115   -94.3750   77.951   188.779    140.079  13.701  6.7353  26.365  11.529  -12.66300      13.35258 
1 1 1 -27 4   5  o 28.143  7.5952  130.756    53.069   121.173    77.870   139.067    72.518   24.907  9.4137  26.948  9.2199  -2.040874      13.17670 
1 1 1 -27 4   6  o 24.172  8.7473  106.211    65.954   121.359    73.031   39.219     153.578  25.253  9.1945  21.471  10.289  3.781586       13.79892 
1 1 1 -27 4   7  o 21.742  8.1587  79.080     58.263   124.969    74.360   6.1102     93.769   25.563  9.2823  18.399  8.5773  7.164097       12.63844 
1 1 1 -27 4   8  o 15.183  6.8924  -0.8204    55.152   -33.9015   73.049   43.036     84.109   15.320  7.2726  19.665  8.7517  -4.344893      11.37904 
1 1 1 -27 4   9  o 51.629  6.4005  394.873    78.462   407.496    102.432  376.952    122.054  48.456  9.0448  41.621  11.634  6.835171       14.73632 
1 1 1 -27 4   10 f 69.672  7.7926  776.819    129.480  680.468    254.971  810.301    150.302  36.987  15.863  67.717  9.4011  -30.73031      18.43989 
1 1 1 -27 4   11 o 70.610  8.1179  813.406    136.553  719.138    289.216  840.449    154.907  34.695  15.763  68.624  9.5631  -33.92925      18.43682 
1 1 1 -27 4   12 o 79.740  7.8173  1018.67    149.306  1170.31    310.292  972.986    170.319  46.472  18.446  73.148  9.8463  -26.67519      20.90923 
1 1 1 -27 4   13 o 70.539  5.1917  690.905    88.236   763.811    128.277  625.432    121.562  69.082  7.7887  61.413  8.3763  7.668903       11.43791 
1 1 1 -27 4   14 o 49.141  6.6545  363.060    77.305   317.821    116.271  398.902    103.493  37.647  11.591  47.466  9.3185  -9.818935      14.87197 
1 1 1 -27 4   15 o 17.042  7.4398  23.795     58.106   82.018     80.762   -38.6861   83.664   21.949  9.1440  16.041  7.6620  5.908583       11.92974 
1 1 1 -27 4   16 o 16.940  7.4403  21.764     58.900   -38.3901   81.493   87.552     85.225   15.854  7.5698  22.294  9.3486  -6.439847      12.02902 
1 1 1 -27 4   17 o 29.041  8.7289  152.134    66.484   205.220    90.524   89.965     97.963   31.395  10.294  22.420  9.7250  8.974897       14.16134 
1 1 1 -27 4   18 o 27.857  8.7167  141.219    65.460   85.994     90.791   201.006    94.466   22.091  9.4701  30.413  10.517  -8.321882      14.15275 
1 1 1 -27 4   19 f 13.256  6.3279  -40.5472   56.878   -68.6217   74.910   -2.3276    87.403   14.154  6.8802  17.538  8.2102  -3.383930      10.71191 
1 1 1 -27 4   20 o 19.410  8.2027  53.563     66.443   11.689     90.901   101.600    97.361   18.240  8.4837  22.799  9.7912  -4.559225      12.95538 
1 1 1 -27 4   21 o 32.048  8.8515  188.244    71.105   166.264    95.723   215.303    106.206  27.001  10.381  29.746  11.044  -2.745342      15.15718 
1 1 1 -27 4   22 o 25.994  9.8046  145.052    84.362   165.962    94.870   66.043     184.413  26.852  10.332  21.814  10.646  5.037907       14.83565 
1 1 1 -27 4   23 o 15.895  7.5836  -27.4765   81.463   -88.2245   92.564   181.211    171.563  14.903  7.3286  24.299  11.416  -9.396410      13.56604 
1 1 1 -27 4   24 o 27.569  10.384  181.121    94.561   196.123    108.766  134.675    191.378  27.334  10.898  22.701  11.026  4.632380       15.50335 
1 1 1 -27 4   25 o 23.373  9.9022  126.659    97.215   -176.4533  214.946  204.604    109.000  18.484  9.3672  27.558  10.934  -9.074657      14.39813 
1 1 1 -27 4   26 o 17.962  8.1267  35.026     75.908   27.066     104.873  43.784     110.013  18.647  8.8109  19.358  9.1096  -0.7113762     12.67345 
1 1 1 -27 4   27 o 14.316  7.1412  -124.5679  100.476  -124.5679  100.476  0.0000     0.0000   14.316  7.1412  ?       ?       0.000000       7.141185 
1 1 1 -27 4   28 o 17.123  8.3153  -16.6521   108.692  -16.6521   108.692  0.0000     0.0000   17.123  8.3153  ?       ?       0.000000       8.315311 
1 1 1 -27 4   29 o ?       ?       75.827     291.803  75.827     291.803  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 4   30 o 14.691  7.3305  -106.1529  106.170  -267.6899  282.856  -79.6623   114.545  ?       ?       15.631  7.7694  0.000000       7.769442 
1 1 1 -27 4   31 f 22.257  9.6693  136.714    97.140   -300.6644  283.404  194.940    103.404  ?       ?       25.206  10.411  0.000000       10.41067 
1 1 1 -27 4   32 o 16.344  7.5486  25.333     70.093   36.149     107.554  17.348     92.412   17.803  8.5526  16.833  8.0438  0.9703484      11.74094 
1 1 1 -27 4   33 o 18.807  8.2357  72.693     71.693   4.4918     114.614  116.531    91.890   16.906  8.2813  20.787  9.2044  -3.880968      12.38146 
1 1 1 -27 4   34 o 16.155  7.4598  29.007     68.393   -35.4567   109.994  69.640     87.327   15.695  7.7682  18.359  8.4603  -2.663391      11.48577 
1 1 1 -27 4   35 o 18.245  8.0819  69.201     70.912   6.6355     106.726  118.653    94.885   16.418  8.0313  20.275  9.1374  -3.856709      12.16530 
1 1 1 -27 4   36 o 30.809  9.2444  222.980    74.617   247.169    108.642  201.380    102.660  25.806  10.666  23.862  10.145  1.944525       14.72047 
1 1 1 -27 4   37 o 17.493  7.7534  59.250     65.361   14.002     96.639   97.398     88.735   16.181  7.8541  19.209  8.7286  -3.027416      11.74203 
1 1 1 -27 4   38 o 16.877  7.5686  49.622     64.210   -92.8847   94.117   173.701    87.821   13.552  6.7829  23.651  9.6613  -10.09964      11.80459 
1 1 1 -27 4   39 o 14.666  7.1442  -18.8925   81.951   2.6288     94.195   -85.9097   166.222  15.775  7.6789  16.091  8.1635  -0.3169403     11.20750 
1 1 1 -27 4   40 o 17.718  8.9210  40.404     175.678  0.0000     0.0000   40.404     175.678  ?       ?       17.718  8.9210  0.000000       8.921008 
1 1 1 -27 4   41 o ?       ?       -262.1095  71.726   0.0000     0.0000   -262.1095  71.726   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 4   42 o 13.902  6.8141  -37.2242   77.972   -594.1348  316.244  -1.1780    80.456   ?       ?       15.136  7.3019  0.000000       7.301867 
1 1 1 -27 4   43 o 10.838  5.3967  -81.4183   56.297   -39.2909   83.647   -116.3020  76.117   14.066  6.9265  11.822  5.9419  2.244167       9.125948 
1 1 1 -27 4   44 o 17.606  8.4082  74.648     100.663  137.740    287.149  65.808     107.483  ?       ?       17.328  8.3793  0.000000       8.379251 
1 1 1 -27 4   45 o 15.776  7.6597  28.156     92.103   -710.3944  281.409  116.760    97.471   ?       ?       18.734  8.7373  0.000000       8.737331 
1 1 1 -27 5   1  o 15.190  7.2280  -30.7718   72.981   -30.7718   72.981   0.0000     0.0000   15.190  7.2280  ?       ?       0.000000       7.228039 
1 1 1 -27 5   2  o 25.161  9.8534  134.477    87.461   134.477    87.461   0.0000     0.0000   25.161  9.8534  ?       ?       0.000000       9.853436 
1 1 1 -27 5   3  o 16.201  6.9672  23.427     49.423   -31.1665   83.343   53.037     61.380   16.118  7.6845  19.226  7.9874  -3.108305      11.08372 
1 1 1 -27 5   4  o 18.285  7.2587  47.081     48.056   93.159     71.344   8.8101     65.019   22.639  8.8893  16.517  7.4924  6.121984       11.62568 
1 1 1 -27 5   5  f 17.470  7.1452  38.318     48.110   24.424     72.828   49.077     64.084   17.962  8.0576  19.113  8.0653  -1.151159      11.40067 
1 1 1 -27 5   6  o 34.676  7.7437  196.553    63.508   204.767    86.396   186.897    93.674   31.897  10.019  29.370  10.448  2.526575       14.47620 
1 1 1 -27 5   7  o 25.077  8.3218  110.609    59.093   23.723     82.350   202.844    84.847   18.527  8.4148  31.995  9.9096  -13.46849      13.00039 
1 1 1 -27 5   8  o 28.474  8.4481  142.491    62.575   20.509     84.319   292.033    93.360   18.500  8.4460  39.468  9.7950  -20.96767      12.93356 
1 1 1 -27 5   9  o 21.744  9.1003  79.196     80.517   -96.8346   184.958  120.356    89.437   19.745  9.8237  24.535  9.8478  -4.789570      13.90985 
1 1 1 -27 5   10 o 16.644  7.7595  -9.6372    76.760   27.033     174.754  -18.4035   85.444   21.700  10.539  16.928  7.9846  4.772156       13.22232 
1 1 1 -27 5   11 o 14.878  7.1060  -42.3828   71.926   -33.7003   218.330  -43.4398   76.179   21.488  10.688  15.234  7.2862  6.253823       12.93511 
1 1 1 -27 5   12 o 16.139  7.1822  12.237     56.641   -63.5484   79.209   91.539     81.026   14.817  7.1721  22.618  9.2643  -7.801605      11.71610 
1 1 1 -27 5   13 o 16.083  7.2068  9.4699     58.092   -75.4364   92.692   64.390     74.548   15.595  7.5972  20.630  8.7019  -5.035146      11.55163 
1 1 1 -27 5   14 o 18.072  7.6317  38.577     57.449   -57.1358   85.758   116.495    77.376   15.569  7.5176  24.620  9.3648  -9.051089      12.00892 
1 1 1 -27 5   15 o 33.937  8.2127  194.926    66.897   119.411    94.073   272.181    95.150   24.251  9.9635  37.089  10.238  -12.83702      14.28566 
1 1 1 -27 5   16 o 30.527  8.7878  168.095    68.611   187.630    98.063   149.361    96.031   28.957  10.637  26.186  10.303  2.771151       14.80922 
1 1 1 -27 5   17 o 30.016  8.4774  159.113    64.458   241.686    87.194   59.611     95.715   35.317  9.8195  20.703  9.2658  14.61439       13.50107 
1 1 1 -27 5   18 o 24.744  8.6981  112.977    64.737   154.540    90.241   68.908     92.923   26.749  10.128  21.045  9.2904  5.704035       13.74374 
1 1 1 -27 5   19 o 20.491  8.1555  68.547     60.810   49.416     83.770   89.858     88.414   19.693  8.7507  22.116  9.4095  -2.422939      12.84968 
1 1 1 -27 5   20 o 29.282  8.9430  161.320    69.380   149.562    95.413   174.512    101.066  25.772  10.229  27.178  10.606  -1.406981      14.73499 
1 1 1 -27 5   21 o 19.461  8.1106  57.557     63.576   133.115    82.534   -52.6958   99.698   25.121  9.6440  16.413  7.9692  8.707285       12.51055 
1 1 1 -27 5   22 o 16.386  7.7078  -9.3684    78.612   -23.3540   88.023   45.747     174.740  16.491  7.8719  21.106  10.314  -4.615654      12.97508 
1 1 1 -27 5   23 o 21.687  9.2456  91.469     85.676   76.260     96.512   148.016    186.098  20.851  9.3202  23.013  11.103  -2.161234      14.49604 
1 1 1 -27 5   24 o 33.515  11.712  301.968    117.287  0.0000     0.0000   301.968    117.287  ?       ?       33.515  11.712  0.000000       11.71188 
1 1 1 -27 5   25 o 15.719  7.3904  -7.7627    72.120   -53.4730   102.834  36.482     101.173  16.173  7.9057  18.887  8.8393  -2.713926      11.85886 
1 1 1 -27 5   26 o 20.014  9.0128  71.249     92.109   95.840     100.978  -50.5708   224.752  21.196  9.4995  19.500  9.8515  1.695705       13.68547 
1 1 1 -27 5   27 o 16.856  8.1738  -19.7675   103.989  -19.7675   103.989  0.0000     0.0000   16.856  8.1738  ?       ?       0.000000       8.173795 
1 1 1 -27 5   28 o 25.196  10.764  199.890    116.557  199.890    116.557  0.0000     0.0000   25.196  10.764  ?       ?       0.000000       10.76367 
1 1 1 -27 5   29 o 21.393  9.8090  123.844    115.371  -90.4978   258.936  176.935    128.869  ?       ?       23.045  10.490  0.000000       10.48991 
1 1 1 -27 5   30 o 15.518  7.5265  -24.4284   88.299   13.521     294.841  -28.1673   92.546   ?       ?       15.630  7.6092  0.000000       7.609154 
1 1 1 -27 5   31 o 23.840  9.2822  142.305    77.271   298.309    121.963  37.692     99.874   28.783  11.519  17.740  8.4453  11.04265       14.28294 
1 1 1 -27 5   32 o 16.802  7.6517  37.907     68.666   -133.6066  112.282  140.373    86.786   14.180  7.1386  22.524  9.4388  -8.344019      11.83429 
1 1 1 -27 5   33 o 29.816  9.9790  232.166    84.931   183.374    124.482  274.659    116.169  21.959  10.113  27.121  11.099  -5.162859      15.01510 
1 1 1 -27 5   34 o 34.993  9.5102  282.063    82.860   295.186    128.164  272.638    108.612  26.080  11.218  27.796  10.951  -1.716164      15.67692 
1 1 1 -27 5   35 o 14.169  6.8367  -16.7947   70.594   66.318     112.130  -71.3693   90.862   17.963  8.6546  13.869  6.8976  4.094136       11.06699 
1 1 1 -27 5   36 o 15.434  7.2812  16.752     71.107   95.430     112.866  -35.0285   91.563   18.709  8.9260  14.687  7.2352  4.021583       11.49004 
1 1 1 -27 5   37 o 22.849  9.0644  142.698    74.894   195.742    119.749  108.620    95.983   21.888  10.020  19.444  8.9267  2.444092       13.41968 
1 1 1 -27 5   38 o 17.684  7.8079  63.213     65.663   30.796     98.725   88.930     87.933   16.656  8.0486  18.756  8.5864  -2.099781      11.76891 
1 1 1 -27 5   39 o 15.563  7.9039  -119.5349  158.884  0.0000     0.0000   -119.5349  158.884  ?       ?       15.563  7.9039  0.000000       7.903944 
1 1 1 -27 5   40 o 21.568  10.672  349.364    206.945  0.0000     0.0000   349.364    206.945  ?       ?       21.568  10.672  0.000000       10.67160 
1 1 1 -27 5   41 o 17.884  8.2656  67.950     84.257   155.102    350.890  62.617     86.796   ?       ?       17.655  8.2377  0.000000       8.237705 
1 1 1 -27 5   42 o 19.269  8.1608  88.326     65.995   74.402     93.681   102.043    92.985   17.960  8.4373  19.097  8.7744  -1.136639      12.17287 
1 1 1 -27 5   43 o 14.865  7.3263  -21.3984   94.263   234.277    277.255  -54.8151   100.234  ?       ?       14.369  7.1621  0.000000       7.162078 
1 1 1 -27 5   44 o 16.918  8.1729  60.842     101.624  398.289    311.300  20.590     107.515  ?       ?       15.940  7.8500  0.000000       7.850008 
1 1 1 -27 5   45 o 12.180  6.1157  -90.8978   79.486   -121.2682  302.764  -88.6496   82.376   ?       ?       12.400  6.2259  0.000000       6.225938 
1 1 1 -27 6   1  o 21.280  8.9571  79.958     78.718   -22.6357   88.671   461.541    171.007  16.656  7.9369  36.359  13.900  -19.70296      16.00635 
1 1 1 -27 6   2  o 16.705  6.9968  31.675     47.647   26.794     86.414   33.807     57.114   18.593  8.5117  17.469  7.5005  1.124226       11.34493 
1 1 1 -27 6   3  o 12.025  5.6909  -30.2765   44.057   -44.9451   67.057   -19.1353   58.441   14.158  6.7884  14.383  6.7271  -0.2256613     9.557028 
1 1 1 -27 6   4  o 38.996  6.6149  231.503    60.354   173.038    87.937   283.569    82.985   28.487  10.125  40.270  8.7435  -11.78280      13.37747 
1 1 1 -27 6   5  o 17.236  7.4238  29.765     56.283   28.983     80.399   30.516     78.817   18.583  8.3896  18.583  8.3556  0.6637573E-03  11.84071 
1 1 1 -27 6   6  o 12.073  5.8742  -64.6799   54.953   -42.7521   75.963   -88.7552   79.595   15.164  7.2588  14.028  6.8777  1.135427       9.999637 
1 1 1 -27 6   7  f 14.648  6.8580  -21.0220   61.014   -15.5361   80.476   -28.4383   93.569   16.603  7.8063  17.045  8.1308  -0.4416447     11.27154 
1 1 1 -27 6   8  f 13.704  6.6989  -81.4956   73.862   10.252     168.895  -103.1917  82.132   21.096  10.272  13.903  6.8497  7.193423       12.34668 
1 1 1 -27 6   9  o 19.491  8.6209  43.946     80.394   35.868     185.278  45.820     89.232   21.943  10.701  19.926  8.9302  2.017757       13.93771 
1 1 1 -27 6   10 o 21.945  9.2546  82.712     84.290   114.546    185.945  74.478     94.564   23.632  11.324  21.568  9.4513  2.064476       14.75012 
1 1 1 -27 6   11 o 11.428  5.5783  -67.0323   50.689   3.7072     72.025   -136.4535  71.351   16.866  7.7396  11.996  5.9894  4.870790       9.786388 
1 1 1 -27 6   12 o 13.334  6.2862  -29.1388   52.834   -137.8020  78.572   60.547     71.382   12.722  6.3413  20.231  8.5234  -7.509289      10.62357 
1 1 1 -27 6   13 o 17.911  7.6308  36.350     58.291   17.456     85.768   52.569     79.465   18.380  8.4384  19.932  8.7010  -1.551958      12.12079 
1 1 1 -27 6   14 o 19.223  7.8534  52.988     58.037   -30.1185   87.731   117.661    77.392   16.572  7.8965  24.612  9.3648  -8.039347      12.24964 
1 1 1 -27 6   15 o 18.530  7.7497  44.837     58.333   82.837     83.533   8.6689     81.495   21.834  9.2107  17.677  8.1556  4.157446       12.30248 
1 1 1 -27 6   16 o 22.144  8.3938  85.616     62.027   41.573     83.844   138.860    92.187   19.368  8.6700  25.466  10.071  -6.097628      13.28893 
1 1 1 -27 6   17 o 33.391  8.2326  191.495    66.277   141.395    91.508   246.775    96.122   25.592  10.062  34.057  10.547  -8.464464      14.57684 
1 1 1 -27 6   18 o 21.468  8.5454  80.274     66.770   41.515     89.085   129.959    100.862  19.437  8.7981  24.326  10.184  -4.888817      13.45774 
1 1 1 -27 6   19 o 21.469  8.3502  80.629     62.482   132.708    84.124   16.545     93.317   25.098  9.7091  18.434  8.5811  6.664610       12.95769 
1 1 1 -27 6   20 o 33.561  8.3578  198.236    67.801   199.164    94.037   197.231    97.847   29.551  10.473  28.949  10.627  0.6026077      14.92062 
1 1 1 -27 6   21 o 22.349  9.3768  99.634     85.818   128.219    96.821   -5.1274    185.354  23.892  9.9875  20.331  10.067  3.561033       14.18051 
1 1 1 -27 6   22 o 14.361  6.9665  -56.2568   75.729   -14.2139   84.110   -236.2396  174.027  16.460  7.8109  16.761  8.4874  -0.3012314     11.53460 
1 1 1 -27 6   23 o 19.275  9.5956  -38.8247   177.635  0.0000     0.0000   -38.8247   177.635  ?       ?       19.275  9.5956  0.000000       9.595613 
1 1 1 -27 6   24 o 16.269  7.4607  11.676     66.783   -78.3628   91.652   113.599    97.513   14.828  7.2919  22.384  9.7060  -7.555718      12.13989 
1 1 1 -27 6   25 o 28.770  9.3818  176.217    75.227   88.472     105.334  267.565    107.474  20.841  9.4856  31.641  11.199  -10.79987      14.67596 
1 1 1 -27 6   26 o 28.177  10.996  229.130    108.642  229.130    108.642  0.0000     0.0000   28.177  10.996  ?       ?       0.000000       10.99644 
1 1 1 -27 6   27 o 24.413  10.237  166.933    102.199  166.933    102.199  0.0000     0.0000   24.413  10.237  ?       ?       0.000000       10.23724 
1 1 1 -27 6   28 o 20.174  9.3605  90.143     109.620  30.872     224.729  108.649    125.573  19.536  9.8673  20.710  9.7418  -1.174492      13.86600 
1 1 1 -27 6   29 o 18.131  8.6730  37.750     108.015  290.384    223.005  -39.6855   123.464  22.409  11.086  16.651  8.2394  5.758051       13.81256 
1 1 1 -27 6   30 o 19.364  8.3273  76.981     70.594   -26.8098   110.520  148.512    91.750   16.293  8.0114  23.040  9.6826  -6.746616      12.56721 
1 1 1 -27 6   31 o 13.874  6.6814  -25.5459   66.628   -21.5945   108.158  -27.9624   84.582   16.152  7.9387  14.946  7.2757  1.206297       10.76843 
1 1 1 -27 6   32 o 14.786  7.1005  -10.5909   73.995   49.929     113.185  -55.7614   97.784   17.883  8.6355  14.778  7.3161  3.105164       11.31801 
1 1 1 -27 6   33 o 25.700  9.4936  176.750    78.282   236.722    123.850  136.851    101.020  23.833  10.612  20.905  9.4241  2.928143       14.19284 
1 1 1 -27 6   34 o 18.595  8.2153  77.493     72.802   -32.0521   116.154  148.372    93.432   15.733  7.8205  21.710  9.4570  -5.977233      12.27176 
1 1 1 -27 6   35 o 19.989  8.4686  99.967     71.106   16.227     109.000  162.003    93.817   16.495  8.0789  22.276  9.5897  -5.780840      12.53913 
1 1 1 -27 6   36 o 15.399  7.2163  20.107     67.815   -83.4719   104.769  94.798     88.967   14.228  7.1265  18.976  8.6680  -4.748073      11.22149 
1 1 1 -27 6   37 o 28.592  9.7173  219.409    80.547   221.243    124.722  218.096    105.498  22.452  10.259  24.142  10.275  -1.689579      14.51953 
1 1 1 -27 6   38 o 20.854  10.553  453.094    266.232  0.0000     0.0000   453.094    266.232  ?       ?       20.854  10.553  0.000000       10.55302 
1 1 1 -27 6   39 o ?       ?       -201.8553  219.528  0.0000     0.0000   -201.8553  219.528  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 6   40 o 13.024  6.4871  -81.1110   81.602   0.0000     0.0000   -81.1110   81.602   ?       ?       13.024  6.4871  0.000000       6.487067 
1 1 1 -27 6   41 o 15.041  7.0733  14.769     66.134   38.612     99.171   -4.3257    88.751   16.806  8.1076  15.285  7.4435  1.521403       11.00625 
1 1 1 -27 6   42 o 19.651  9.0889  127.944    102.155  -115.9271  285.578  163.728    109.393  ?       ?       20.748  9.5271  0.000000       9.527059 
1 1 1 -27 6   43 o 20.853  9.4134  164.767    101.193  274.494    312.802  151.941    106.943  ?       ?       19.963  9.2568  0.000000       9.256776 
1 1 1 -27 6   44 o 15.014  7.4008  1.6196     96.270   356.379    284.846  -44.1288   102.289  ?       ?       14.230  7.1147  0.000000       7.114655 
1 1 1 -27 7   1  o 19.772  7.3569  62.982     47.178   -45.0121   77.363   126.924    59.529   15.004  7.2192  26.449  8.3183  -11.44490      11.01413 
1 1 1 -27 7   2  o 20.153  7.5094  66.006     49.188   85.706     80.913   54.458     61.950   21.714  9.1073  19.229  8.0094  2.485071       12.12823 
1 1 1 -27 7   3  o 17.612  7.2816  39.745     50.659   187.256    78.912   -63.6709   66.073   30.754  9.5619  13.355  6.4850  17.39855       11.55361 
1 1 1 -27 7   4  o 14.830  6.8103  -5.8025    55.913   -4.1782    81.129   -7.2719    77.165   16.991  7.9402  16.583  7.7473  0.4087620      11.09359 
1 1 1 -27 7   5  o 27.211  8.6452  135.350    64.165   116.465    93.080   152.450    88.573   23.830  9.8627  26.673  10.050  -2.842712      14.08074 
1 1 1 -27 7   6  o 31.904  10.637  222.431    96.515   100.186    189.463  265.271    112.158  23.045  11.139  33.312  11.464  -10.26638      15.98429 
1 1 1 -27 7   7  o 22.691  9.6057  96.687     91.362   68.867     182.022  106.056    105.632  22.386  10.845  23.143  10.069  -0.7570934     14.79824 
1 1 1 -27 7   8  o 37.511  10.757  294.192    102.982  418.457    205.490  252.514    119.006  31.603  13.888  31.572  11.697  0.3080177E-01  18.15783 
1 1 1 -27 7   9  o 29.038  9.9341  173.073    84.187   296.901    190.042  142.840    93.903   28.413  12.857  25.774  10.174  2.639221       16.39486 
1 1 1 -27 7   10 o 15.232  7.0271  -8.0372    60.485   31.053     93.278   -36.3984   79.452   19.309  8.8410  15.695  7.4886  3.613540       11.58629 
1 1 1 -27 7   11 o 39.069  8.3537  258.778    76.793   217.049    104.843  307.077    112.795  30.529  11.032  36.856  11.427  -6.326279      15.88342 
1 1 1 -27 7   12 o 45.264  7.0322  317.633    74.727   340.591    113.766  300.212    99.104   39.552  11.295  38.811  10.338  0.7409096      15.31171 
1 1 1 -27 7   13 o 17.034  7.5429  21.480     61.717   -68.0870   99.086   78.255     78.889   16.160  7.8685  21.469  8.9980  -5.308617      11.95314 
1 1 1 -27 7   14 o 46.937  7.0306  342.246    77.605   324.853    117.614  355.657    103.278  37.265  11.688  43.000  10.075  -5.734894      15.43078 
1 1 1 -27 7   15 o 15.953  7.2149  7.1649     59.765   -30.0605   96.965   29.970     75.895   17.085  8.1846  18.336  8.2254  -1.250294      11.60367 
1 1 1 -27 7   16 o 13.240  6.3526  -45.6778   58.934   17.097     84.118   -106.1998  82.594   18.082  8.3220  13.763  6.7972  4.319259       10.74514 
1 1 1 -27 7   17 o 10.411  5.1901  -105.7511  52.728   -70.4765   71.622   -147.4916  77.911   13.691  6.6715  12.338  6.1747  1.353272       9.090471 
1 1 1 -27 7   18 o 26.082  9.0439  132.798    69.872   153.416    99.685   112.886    97.965   25.660  10.362  23.179  9.8843  2.480989       14.32058 
1 1 1 -27 7   19 o 18.992  8.0031  52.383     62.957   32.138     84.931   77.077     93.798   18.615  8.4899  21.090  9.3209  -2.475069      12.60787 
1 1 1 -27 7   20 o 19.344  8.6575  49.679     83.563   44.805     93.891   68.245     183.268  19.410  8.8808  21.528  10.529  -2.117922      13.77447 
1 1 1 -27 7   21 o 21.436  9.2222  88.527     86.654   99.219     97.382   47.860     189.919  21.965  9.6090  21.014  10.365  0.9510574      14.13389 
1 1 1 -27 7   22 o 29.573  13.637  505.250    227.432  0.0000     0.0000   505.250    227.432  ?       ?       29.573  13.637  0.000000       13.63715 
1 1 1 -27 7   23 o 15.144  7.0380  -3.7219    62.362   39.694     82.462   -61.7275   95.315   18.421  8.3875  15.488  7.5792  2.932630       11.30463 
1 1 1 -27 7   24 o 16.770  7.6421  21.398     68.637   44.630     95.536   -3.3846    98.674   18.861  8.7468  17.240  8.2581  1.620571       12.02920 
1 1 1 -27 7   25 o 14.494  7.1571  -83.2348   91.430   -83.2348   91.430   0.0000     0.0000   14.494  7.1571  ?       ?       0.000000       7.157098 
1 1 1 -27 7   26 o 19.186  8.9037  60.207     99.244   60.207     99.244   0.0000     0.0000   19.186  8.9037  ?       ?       0.000000       8.903743 
1 1 1 -27 7   27 o ?       ?       -508.7643  172.385  -508.7643  172.385  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 7   28 o 34.081  12.208  384.706    128.101  287.942    253.800  417.784    148.389  21.795  10.941  31.922  12.729  -10.12631      16.78510 
1 1 1 -27 7   29 o 35.113  9.3037  263.995    80.536   143.536    112.643  389.969    115.191  21.667  9.8413  37.210  11.550  -15.54373      15.17407 
1 1 1 -27 7   30 o 15.712  7.3236  15.986     68.317   -54.1015   106.365  65.202     89.132   15.362  7.6096  18.451  8.5185  -3.089337      11.42238 
1 1 1 -27 7   31 o 14.706  6.9886  -3.3206    67.808   -132.5582  108.144  80.404     87.043   13.872  6.9867  18.916  8.6146  -5.043373      11.09169 
1 1 1 -27 7   32 o 16.263  7.5577  31.030     71.900   110.478    114.710  -20.3807   92.275   19.467  9.2033  15.256  7.4638  4.210780       11.84945 
1 1 1 -27 7   33 o 15.387  7.1597  20.326     64.848   65.095     101.398  -10.6567   84.353   17.881  8.5114  15.078  7.3231  2.802142       11.22819 
1 1 1 -27 7   34 o 14.688  7.0485  -3.2786    72.628   70.396     118.080  -48.1114   92.112   17.925  8.6960  14.372  7.1125  3.552832       11.23424 
1 1 1 -27 7   35 o 14.052  6.7436  -10.0872   66.486   50.490     107.210  -47.9425   84.750   17.273  8.3566  13.958  6.8920  3.314618       10.83195 
1 1 1 -27 7   36 o 13.881  6.6976  -16.3810   67.751   -53.0590   115.117  3.0561     83.801   15.129  7.5618  15.327  7.4086  -0.1983290     10.58625 
1 1 1 -27 7   37 o 15.812  7.7519  -0.0289    101.090  -61.8917   112.147  268.082    233.471  14.879  7.4409  19.647  9.9357  -4.767509      12.41311 
1 1 1 -27 7   38 o ?       ?       133.050    245.106  0.0000     0.0000   133.050    245.106  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 7   39 o 14.666  7.2119  -30.5402   89.633   0.0000     0.0000   -30.5402   89.633   ?       ?       14.666  7.2119  0.000000       7.211920 
1 1 1 -27 7   40 f 23.960  9.2215  159.112    75.584   120.881    120.799  183.708    96.893   19.152  9.1643  23.030  9.8255  -3.877344      13.43592 
1 1 1 -27 7   41 o 16.347  7.3540  45.216     61.144   85.833     88.660   8.3787     84.435   18.307  8.4675  15.390  7.4383  2.917356       11.27066 
1 1 1 -27 7   42 o 19.646  9.1438  140.181    105.891  227.825    309.677  128.577    112.684  ?       ?       19.000  9.0234  0.000000       9.023358 
1 1 1 -27 7   43 o 15.626  7.6001  26.179     91.731   -635.1724  281.030  105.044    97.046   ?       ?       18.175  8.5539  0.000000       8.553905 
1 1 1 -27 8   1  o 23.952  7.7664  100.095    51.582   36.162     82.676   140.844    66.005   18.705  8.4702  27.204  8.7816  -8.499113      12.20089 
1 1 1 -27 8   2  o 44.323  6.6915  302.821    69.724   372.406    98.262   232.257    98.950   45.017  9.3035  31.793  10.770  13.22437       14.23227 
1 1 1 -27 8   3  f 40.774  7.4358  268.169    70.855   215.507    103.715  314.259    97.028   29.933  10.948  39.976  10.022  -10.04307      14.84257 
1 1 1 -27 8   4  o 14.949  6.9158  -8.9683    59.188   -50.8611   89.860   23.134     78.663   15.883  7.6757  18.044  8.2068  -2.161737      11.23690 
1 1 1 -27 8   5  f 15.152  7.2889  -47.2301   78.765   -30.0773   162.712  -52.4798   90.015   19.806  9.7353  15.874  7.6742  3.932444       12.39633 
1 1 1 -27 8   6  o 24.477  9.7931  124.495    88.138   5.8537     183.051  160.302    100.562  20.992  10.320  26.403  10.494  -5.410933      14.71827 
1 1 1 -27 8   7  o 17.403  8.0848  3.2769     82.163   203.398    169.862  -57.8470   93.876   25.790  11.853  16.032  7.7724  9.758047       14.17438 
1 1 1 -27 8   8  o 14.027  6.6415  -31.1448   60.155   -80.8409   87.427   13.535     82.897   14.891  7.2810  17.917  8.2516  -3.025641      11.00459 
1 1 1 -27 8   9  o 21.085  8.3558  74.568     63.580   142.253    95.075   19.813     85.513   25.520  10.185  18.353  8.4258  7.167139       13.21833 
1 1 1 -27 8   10 o 22.716  8.5993  92.792     65.045   72.532     96.686   109.544    87.914   21.281  9.4313  23.489  9.6389  -2.208469      13.48547 
1 1 1 -27 8   11 f 19.470  8.1682  54.593     65.114   -20.1483   100.301  109.038    85.606   17.617  8.4079  23.489  9.5604  -5.871748      12.73159 
1 1 1 -27 8   12 o 20.576  8.3086  68.983     64.079   -17.2540   96.072   138.092    86.004   17.451  8.3006  25.638  9.8441  -8.187065      12.87654 
1 1 1 -27 8   13 o 16.642  7.3273  21.306     57.431   -193.7041  98.782   131.093    70.586   13.375  6.7285  26.060  9.0870  -12.68490      11.30690 
1 1 1 -27 8   14 o 14.667  6.8488  -16.6194   60.175   -99.3831   100.792  29.220     75.011   15.392  7.5842  18.188  8.1669  -2.795600      11.14528 
1 1 1 -27 8   15 o 23.494  8.6454  102.480    64.814   62.580     101.213  130.217    84.387   20.692  9.3710  24.922  9.7011  -4.230028      13.48800 
1 1 1 -27 8   16 o 30.421  9.1859  178.095    73.504   220.716    113.356  147.172    96.554   29.199  11.277  25.424  10.222  3.775486       15.22101 
1 1 1 -27 8   17 o 35.864  9.0121  237.417    78.329   336.390    117.880  159.167    104.815  37.246  11.704  25.636  10.523  11.61031       15.73910 
1 1 1 -27 8   18 o 20.535  8.4299  72.207     67.273   63.802     96.886   80.032     93.482   20.400  9.2099  21.167  9.3325  -0.7670403     13.11175 
1 1 1 -27 8   19 o 24.680  10.309  147.754    103.043  125.000    121.277  206.820    195.396  22.997  10.350  24.231  11.611  -1.234272      15.55430 
1 1 1 -27 8   20 f 22.480  9.5673  107.957    91.458   113.348    103.326  88.448     196.553  22.552  9.8812  21.656  10.655  0.8964863      14.53170 
1 1 1 -27 8   21 o 25.857  12.450  361.837    231.185  0.0000     0.0000   361.837    231.185  ?       ?       25.857  12.450  0.000000       12.45042 
1 1 1 -27 8   22 o 23.303  8.7095  109.687    66.266   106.270    90.886   113.565    96.824   22.021  9.4585  22.301  9.6709  -0.2804089     13.52738 
1 1 1 -27 8   23 o 17.624  7.8402  38.017     67.431   77.716     97.405   1.4818     93.442   20.279  9.1875  17.134  8.1601  3.144726       12.28804 
1 1 1 -27 8   24 o 24.925  10.424  175.470    105.540  175.470    105.540  0.0000     0.0000   24.925  10.424  ?       ?       0.000000       10.42418 
1 1 1 -27 8   25 o 16.522  7.9705  -12.4910   95.863   -12.4910   95.863   0.0000     0.0000   16.522  7.9705  ?       ?       0.000000       7.970487 
1 1 1 -27 8   26 o 20.598  10.338  131.766    226.086  131.766    226.086  0.0000     0.0000   20.598  10.338  ?       ?       0.000000       10.33824 
1 1 1 -27 8   27 f 24.567  10.638  204.165    116.819  213.114    236.054  201.262    134.436  21.134  10.601  23.303  10.649  -2.168900      15.02611 
1 1 1 -27 8   28 f 15.882  7.6377  -5.0101    86.309   50.433     223.570  -14.7201   93.562   19.105  9.6681  15.911  7.7241  3.193443       12.37470 
1 1 1 -27 8   29 f 32.014  9.2970  229.026    76.492   122.284    111.684  323.336    104.979  20.505  9.4910  33.641  11.088  -13.13574      14.59547 
1 1 1 -27 8   30 o 13.849  6.6622  -21.6042   65.804   75.842     97.735   -102.4081  88.999   18.645  8.7136  13.283  6.6405  5.362070       10.95551 
1 1 1 -27 8   31 o 25.150  9.1479  160.140    72.267   90.673     102.702  228.267    101.706  18.933  8.8749  25.934  10.469  -7.001078      13.72461 
1 1 1 -27 8   32 o 15.743  7.3498  24.548     69.250   39.204     107.875  14.274     90.315   17.136  8.3131  16.046  7.7398  1.090328       11.35836 
1 1 1 -27 8   33 f 13.985  6.7401  -15.2106   68.147   100.796    103.613  -103.6483  90.468   18.925  8.8850  13.106  6.5727  5.819255       11.05182 
1 1 1 -27 8   34 o 14.344  6.9032  -8.3955    70.854   28.363     117.918  -29.1662   88.639   16.801  8.2639  14.600  7.1780  2.201145       10.94602 
1 1 1 -27 8   35 o 17.448  7.9667  61.963     75.051   268.348    115.041  -90.9637   99.027   25.451  10.777  13.746  6.8917  11.70494       12.79188 
1 1 1 -27 8   36 o 13.829  6.9535  -102.3039  104.739  -79.9140   118.090  -184.8611  226.760  14.744  7.4095  ?       ?       0.000000       7.409510 
1 1 1 -27 8   37 f ?       ?       -557.6411  195.404  0.0000     0.0000   -557.6411  195.404  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 8   38 o ?       ?       -50.2967   235.868  0.0000     0.0000   -50.2967   235.868  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 8   39 o 16.361  7.6022  39.490     72.695   126.182    110.001  -27.7295   96.862   19.555  9.1723  14.968  7.3866  4.586386       11.77686 
1 1 1 -27 8   40 o 14.381  6.7566  9.1235     60.103   -10.7356   79.065   36.309     92.506   14.576  7.0818  16.474  7.9185  -1.897357      10.62330 
1 1 1 -27 8   41 o 15.020  7.3682  -7.1002    91.755   405.281    228.681  -86.2277   100.172  20.413  10.265  13.680  6.8685  6.732079       12.35087 
1 1 1 -27 8   42 o 14.389  7.0945  -18.6046   88.640   -440.6926  244.878  45.040     95.089   ?       ?       16.270  7.8711  0.000000       7.871074 
1 1 1 -27 8   43 o 13.934  6.8738  -18.2729   83.601   -193.3279  271.927  0.0001     87.856   ?       ?       14.544  7.1498  0.000000       7.149808 
1 1 1 -27 9   1  o 26.443  8.7274  133.803    65.027   40.927     94.166   218.467    89.906   19.261  8.8424  31.588  10.254  -12.32755      13.54016 
1 1 1 -27 9   2  o 25.872  8.8948  129.972    67.517   144.377    99.833   117.830    91.657   24.871  10.246  23.474  9.7570  1.397135       14.14877 
1 1 1 -27 9   3  o 34.053  8.3204  203.043    68.162   213.709    95.501   191.967    97.317   30.628  10.576  28.595  10.581  2.033211       14.96001 
1 1 1 -27 9   4  o 33.685  10.637  249.456    97.248   299.291    188.880  231.480    113.439  27.607  12.618  29.946  11.351  -2.338829      16.97263 
1 1 1 -27 9   5  o 19.673  8.7348  51.365     83.307   205.115    176.454  7.2655     94.501   25.308  11.787  18.131  8.5035  7.177122       14.53446 
1 1 1 -27 9   6  f 13.812  6.7950  -93.6727   79.885   -2.9801    158.455  -124.5789  92.500   20.147  9.8405  14.159  7.0281  5.987502       12.09251 
1 1 1 -27 9   7  o 16.403  7.4607  8.5566     65.017   22.340     91.591   -5.4441    92.311   18.647  8.6182  17.581  8.2947  1.066307       11.96142 
1 1 1 -27 9   8  o 23.852  8.8802  107.721    68.758   107.077    97.386   108.362    97.092   23.020  9.8365  23.098  9.8446  -0.7843590E-01 13.91667 
1 1 1 -27 9   9  o 33.509  8.7851  202.794    72.303   217.086    107.610  191.033    97.621   29.785  11.105  28.810  10.609  0.9749451      15.35822 
1 1 1 -27 9   10 o 14.636  6.8710  -20.8453   61.944   -32.4951   92.831   -11.4944   83.168   16.677  7.9940  16.785  7.9054  -0.1082706     11.24271 
1 1 1 -27 9   11 o 14.060  6.6396  -27.4214   59.394   -33.2491   92.888   -23.3907   77.250   16.644  7.9829  15.872  7.5185  0.7712946      10.96604 
1 1 1 -27 9   12 o 12.657  6.1657  -67.0937   61.036   -41.6838   92.495   -86.6921   81.232   16.330  7.8661  14.116  6.9264  2.213670       10.48093 
1 1 1 -27 9   13 o 13.669  6.5264  -38.6673   60.571   -56.7049   109.552  -30.7256   72.692   16.937  8.2528  15.170  7.2171  1.767089       10.96339 
1 1 1 -27 9   14 o 33.571  9.4718  218.963    80.510   312.833    116.383  132.816    111.493  35.721  11.670  23.957  10.383  11.76325       15.62076 
1 1 1 -27 9   15 o 42.036  7.7777  293.039    76.408   362.740    115.306  238.471    102.023  40.032  11.350  31.751  10.933  8.281118       15.75885 
1 1 1 -27 9   16 o 15.184  7.1038  -12.9568   65.246   -55.8995   103.872  15.028     83.853   16.489  8.0347  17.734  8.2136  -1.245001      11.48998 
1 1 1 -27 9   17 o 33.973  8.8938  215.090    74.174   229.900    111.348  203.276    99.453   29.490  11.230  28.869  10.693  0.6212826      15.50690 
1 1 1 -27 9   18 o 24.733  10.433  154.189    107.152  112.549    126.973  257.215    199.726  22.314  10.253  25.106  11.949  -2.791328      15.74510 
1 1 1 -27 9   19 o 46.317  11.469  489.070    128.210  638.956    153.293  140.140    233.889  50.883  12.505  22.308  11.091  28.57430       16.71456 
1 1 1 -27 9   20 o 25.651  10.539  174.934    105.257  231.249    122.386  14.927     206.296  27.616  11.357  20.292  10.139  7.324606       15.22482 
1 1 1 -27 9   21 o 12.281  6.1448  -132.9258  76.919   136.156    198.427  -180.5098  83.443   21.862  10.746  11.968  6.0410  9.893521       12.32803 
1 1 1 -27 9   22 o 35.650  9.2568  254.033    80.782   303.117    122.896  216.689    107.194  31.358  11.832  27.624  10.880  3.734312       16.07450 
1 1 1 -27 9   23 o 19.857  9.1276  73.668     100.766  73.668     100.766  0.0000     0.0000   19.857  9.1276  ?       ?       0.000000       9.127582 
1 1 1 -27 9   24 o 18.386  8.5471  45.454     92.063   45.454     92.063   0.0000     0.0000   18.386  8.5471  ?       ?       0.000000       8.547097 
1 1 1 -27 9   25 o 19.540  9.8473  45.919     216.653  45.919     216.653  0.0000     0.0000   19.540  9.8473  ?       ?       0.000000       9.847306 
1 1 1 -27 9   26 o 18.467  8.7379  52.321     103.787  37.990     221.817  56.338     117.434  19.206  9.7104  18.755  8.9904  0.4506683      13.23323 
1 1 1 -27 9   27 o 15.752  7.5783  -6.6582    85.212   -38.8380   220.078  -0.9832    92.420   18.199  9.2485  16.246  7.8346  1.953060       12.12087 
1 1 1 -27 9   28 o 13.942  6.6996  -22.0717   66.091   -59.2750   99.559   7.2409     88.372   14.903  7.3786  16.193  7.7720  -1.290476      10.71666 
1 1 1 -27 9   29 o 10.310  5.2029  -135.3867  61.721   -30.5494   94.304   -213.9455  81.634   15.191  7.4556  ?       ?       0.000000       7.455634 
1 1 1 -27 9   30 o 12.943  6.2968  -37.9975   63.099   -56.6044   91.153   -20.8774   87.435   14.272  7.0654  14.996  7.3215  -0.7238493     10.17474 
1 1 1 -27 9   31 o 20.885  8.6146  111.253    70.670   60.924     101.043  159.447    98.877   17.681  8.4385  21.800  9.6054  -4.118475      12.78566 
1 1 1 -27 9   32 o 17.065  7.7697  53.313     70.748   29.750     105.094  72.841     95.674   16.679  8.1176  17.948  8.4609  -1.268581      11.72525 
1 1 1 -27 9   33 o 19.977  8.5037  103.785    72.280   198.999    104.826  17.485     99.798   22.957  10.008  16.167  7.8775  6.789816       12.73649 
1 1 1 -27 9   34 o 25.892  9.4583  186.497    77.374   72.748     117.820  272.754    102.598  17.746  8.6271  27.768  10.728  -10.02153      13.76638 
1 1 1 -27 9   35 o 16.473  7.6920  42.224     75.897   95.333     129.039  14.132     93.847   18.241  8.9034  15.887  7.7176  2.354856       11.78266 
1 1 1 -27 9   36 o ?       ?       40.338     240.452  0.0000     0.0000   40.338     240.452  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 9   37 o ?       ?       268.229    261.148  0.0000     0.0000   268.229    261.148  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 9   38 o 19.944  9.0979  126.390    97.600   194.956    351.623  120.666    101.592  ?       ?       19.552  9.0507  0.000000       9.050680 
1 1 1 -27 9   39 o 12.850  6.2551  -32.6441   62.502   -8.3546    97.532   -49.5706   81.418   15.334  7.5370  13.605  6.7247  1.728785       10.10083 
1 1 1 -27 9   40 o 14.794  7.2525  -11.4986   88.463   -165.1808  201.781  25.068     98.426   ?       ?       16.050  7.8211  0.000000       7.821100 
1 1 1 -27 9   41 o 15.663  7.6103  25.110     91.349   -215.9838  210.132  81.290     101.436  ?       ?       17.400  8.3447  0.000000       8.344714 
1 1 1 -27 9   42 o 17.712  8.3421  98.938     92.617   128.199    238.347  93.733     100.516  ?       ?       17.364  8.3220  0.000000       8.321954 
1 1 1 -27 10  1  o 36.638  8.2608  235.435    71.684   259.127    105.421  215.060    97.764   32.447  11.116  29.921  10.671  2.526356       15.40924 
1 1 1 -27 10  2  o 25.582  10.175  153.164    94.605   376.142    210.417  96.670     105.914  28.047  12.998  21.938  9.7879  6.109051       16.27109 
1 1 1 -27 10  3  o 23.859  9.8676  125.398    93.073   348.312    196.577  60.988     105.667  28.233  12.892  20.439  9.3772  7.794462       15.94165 
1 1 1 -27 10  4  o 28.608  10.332  186.387    91.948   309.379    187.849  147.635    105.443  27.654  12.618  24.835  10.406  2.819014       16.35499 
1 1 1 -27 10  5  o 24.846  10.050  138.541    93.918   -31.4375   187.103  195.795    108.590  20.091  9.9766  27.777  10.948  -7.685730      14.81167 
1 1 1 -27 10  6  o 29.104  9.3327  167.849    74.643   144.219    98.736   199.368    114.031  25.041  10.238  27.630  11.109  -2.588594      15.10756 
1 1 1 -27 10  7  o 33.041  8.7933  199.542    71.737   239.428    100.543  158.181    102.384  32.195  10.857  25.793  10.472  6.402464       15.08414 
1 1 1 -27 10  8  o 25.785  9.1508  131.656    71.809   65.362     98.414   207.140    105.014  20.670  9.3116  29.029  10.942  -8.358982      14.36742 
1 1 1 -27 10  9  o 26.757  9.0993  140.294    70.628   149.756    99.767   130.788    99.999   25.389  10.326  24.174  10.131  1.214102       14.46600 
1 1 1 -27 10  10 o 26.710  9.1923  141.498    72.119   169.736    97.756   107.774    106.829  26.889  10.448  22.745  10.004  4.143637       14.46568 
1 1 1 -27 10  11 o 25.363  8.9540  125.251    68.667   21.639     97.869   225.707    96.368   18.742  8.7457  31.549  10.629  -12.80688      13.76476 
1 1 1 -27 10  12 o 17.784  7.8168  33.701     65.115   36.114     97.817   31.781     87.257   19.285  8.9108  18.703  8.5588  0.5824203      12.35535 
1 1 1 -27 10  13 o 25.749  9.1749  133.279    72.257   96.578     105.948  165.196    98.800   22.054  9.8182  26.300  10.418  -4.245985      14.31559 
1 1 1 -27 10  14 o 26.543  8.9934  138.756    68.992   89.264     110.452  170.421    88.347   21.643  9.7966  27.492  10.097  -5.848940      14.06853 
1 1 1 -27 10  15 f 28.126  9.3438  161.385    74.492   285.145    115.047  72.041     97.750   33.060  11.597  20.684  9.3024  12.37576       14.86682 
1 1 1 -27 10  16 o 39.155  8.1994  266.811    75.403   183.649    114.654  330.194    100.094  26.008  10.870  39.873  10.280  -13.86510      14.96111 
1 1 1 -27 10  17 f 20.782  9.6123  75.856     114.255  75.856     114.255  0.0000     0.0000   20.782  9.6123  ?       ?       0.000000       9.612269 
1 1 1 -27 10  18 o 24.021  10.239  146.300    105.027  113.793    119.648  255.457    219.253  22.098  10.078  24.082  11.721  -1.984291      15.45801 
1 1 1 -27 10  19 o 96.011  7.8977  1587.12    182.355  1271.47    218.131  2319.73    332.313  69.832  13.360  79.038  17.761  -9.205391      22.22485 
1 1 1 -27 10  20 o 15.972  7.6145  -14.0763   81.796   93.391     193.007  -37.6032   90.306   21.008  10.378  15.722  7.6222  5.285917       12.87655 
1 1 1 -27 10  21 f 26.412  9.5957  161.185    79.483   214.818    123.453  123.213    103.876  25.804  11.052  22.202  9.8107  3.601511       14.77815 
1 1 1 -27 10  22 o 14.111  7.0486  -121.7928  99.302   -44.3221   115.396  -342.8700  194.938  16.596  8.1653  ?       ?       0.000000       8.165294 
1 1 1 -27 10  23 o 20.940  9.7874  113.236    123.373  113.236    123.373  0.0000     0.0000   20.940  9.7874  ?       ?       0.000000       9.787384 
1 1 1 -27 10  24 o 20.213  10.151  113.119    219.488  113.119    219.488  0.0000     0.0000   20.213  10.151  ?       ?       0.000000       10.15066 
1 1 1 -27 10  25 o 14.716  7.2552  -60.6899   92.659   31.143     208.742  -83.2247   103.404  18.978  9.5765  14.814  7.3660  4.164789       12.08175 
1 1 1 -27 10  26 o 19.274  8.7490  80.835     88.858   286.545    226.898  43.571     96.571   21.614  10.774  17.793  8.4218  3.820944       13.67475 
1 1 1 -27 10  27 o 32.823  8.9752  230.760    73.535   131.483    111.717  306.654    97.678   20.738  9.5612  33.893  10.655  -13.15517      14.31575 
1 1 1 -27 10  28 o 13.400  6.4269  -21.1669   60.196   -86.9556   90.589   30.851     80.552   13.661  6.8092  16.592  7.8039  -2.931082      10.35688 
1 1 1 -27 10  29 o 23.213  9.0363  141.317    73.221   156.076    106.907  128.276    100.492  21.335  9.6493  20.407  9.2792  0.9281521      13.38706 
1 1 1 -27 10  30 o 21.056  8.6245  113.762    70.221   39.285     100.295  185.375    98.349   16.953  8.1721  23.187  9.8960  -6.234575      12.83411 
1 1 1 -27 10  31 o 13.499  6.5108  -19.5570   63.896   -1.9306    91.351   -36.4407   89.406   15.430  7.5224  14.445  7.1224  0.9855099      10.35929 
1 1 1 -27 10  32 o 16.465  7.5609  44.529     68.908   154.625    100.662  -52.5552   94.527   20.994  9.4410  14.248  7.0779  6.745354       11.79951 
1 1 1 -27 10  33 o 13.443  6.4786  -17.2737   62.921   -35.3980   102.744  -6.3972    79.592   14.913  7.4033  14.737  7.1473  0.1760712      10.29044 
1 1 1 -27 10  34 o 9.6352  4.8988  -166.9723  62.294   -97.7939   100.622  -209.9636  79.323   13.629  6.8480  ?       ?       0.000000       6.848044 
1 1 1 -27 10  35 o 21.423  10.895  729.750    309.826  0.0000     0.0000   729.750    309.826  ?       ?       21.423  10.895  0.000000       10.89529 
1 1 1 -27 10  36 o ?       ?       233.977    259.881  0.0000     0.0000   233.977    259.881  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 10  37 o 15.950  7.6731  22.147     87.296   -397.6448  342.345  51.341     90.280   ?       ?       16.997  8.0734  0.000000       8.073377 
1 1 1 -27 10  38 o 14.383  6.8941  -1.2227    69.020   -102.5856  105.052  75.763     91.553   13.734  6.9128  17.803  8.3562  -4.069435      10.84501 
1 1 1 -27 10  39 o 15.403  7.5033  8.8909     90.367   170.863    220.503  -23.8041   99.068   18.203  9.2515  14.859  7.3575  3.344665       11.82045 
1 1 1 -27 10  40 o 15.438  7.5251  16.973     91.328   71.687     223.864  6.0484     100.031  ?       ?       15.356  7.5643  0.000000       7.564328 
1 1 1 -27 10  41 o 16.260  7.8563  55.177     94.011   -13.4312   230.579  68.855     102.957  ?       ?       16.645  8.0856  0.000000       8.085633 
1 1 1 -27 11  1  f 26.637  10.224  170.075    92.754   321.862    190.864  123.145    106.129  26.967  12.455  22.949  10.036  4.017195       15.99543 
1 1 1 -27 11  2  o 15.019  7.2277  -40.5525   77.625   -53.4708   200.304  -38.2695   84.206   19.655  9.8460  15.595  7.5102  4.059978       12.38336 
1 1 1 -27 11  3  o 25.383  10.087  150.324    92.884   319.500    209.351  108.860    103.643  26.425  12.475  22.462  9.8675  3.963591       15.90565 
1 1 1 -27 11  4  o 17.368  8.0402  12.687     80.197   4.4666     175.113  14.869     90.214   20.203  9.9629  17.970  8.3893  2.233179       13.02456 
1 1 1 -27 11  5  o 35.801  8.2846  224.538    70.540   285.464    97.913   158.789    101.714  36.446  10.500  25.550  10.413  10.89644       14.78734 
1 1 1 -27 11  6  o 42.337  7.5939  294.980    75.145   256.783    104.705  335.549    107.908  32.654  11.079  38.994  10.953  -6.339783      15.57940 
1 1 1 -27 11  7  f 24.125  8.9246  114.377    69.229   99.078     93.540   132.905    102.943  22.213  9.5692  23.966  10.174  -1.752056      13.96673 
1 1 1 -27 11  8  o 37.526  8.4422  248.054    75.008   247.873    103.024  248.259    109.419  32.203  10.990  31.285  11.275  0.9186649      15.74480 
1 1 1 -27 11  9  o 26.704  8.9688  139.692    68.609   133.989    96.355   145.557    97.716   24.266  10.038  24.958  10.193  -0.6921597     14.30572 
1 1 1 -27 11  10 o 56.512  6.2846  482.549    84.715   534.135    118.525  428.670    121.129  53.478  9.4814  44.020  11.287  9.458015       14.74093 
1 1 1 -27 11  11 o 32.573  8.7868  196.940    71.046   235.856    102.123  160.438    98.903   31.197  10.927  25.803  10.356  5.393700       15.05502 
1 1 1 -27 11  12 o 32.359  8.9500  198.202    72.636   166.506    104.322  228.025    101.195  25.779  10.530  30.590  10.862  -4.811598      15.12848 
1 1 1 -27 11  13 o 21.627  8.6746  87.994     69.344   31.983     98.026   144.097    98.107   18.893  8.7948  24.602  10.149  -5.709442      13.42953 
1 1 1 -27 11  14 o 15.519  7.2078  -3.3812    65.243   69.896     93.062   -74.2085   91.493   20.381  9.1280  15.044  7.3754  5.336626       11.73530 
1 1 1 -27 11  15 o 34.156  9.0834  224.535    76.585   297.268    117.690  171.115    100.862  32.983  11.714  25.955  10.444  7.027895       15.69353 
1 1 1 -27 11  16 o 17.842  8.5414  0.8594     105.203  -21.2463   120.024  74.155     218.551  17.815  8.6711  21.221  10.577  -3.406530      13.67733 
1 1 1 -27 11  17 f 25.400  10.655  179.641    110.767  113.559    130.660  348.459    208.837  21.812  10.154  26.076  12.355  -4.264280      15.99191 
1 1 1 -27 11  18 o 28.147  11.079  227.962    111.062  115.178    126.775  600.205    230.317  21.718  10.073  30.747  14.007  -9.028650      17.25279 
1 1 1 -27 11  19 o 19.019  8.1731  60.710     67.921   112.905    106.405  24.820     88.235   21.712  9.7397  17.706  8.2764  4.005419       12.78125 
1 1 1 -27 11  20 o 29.465  10.159  210.642    88.100   330.128    168.364  165.590    103.383  26.916  12.147  24.371  10.262  2.545025       15.90152 
1 1 1 -27 11  21 o 41.033  9.0716  330.822    87.919   363.623    136.487  307.559    114.943  31.981  12.368  32.188  11.561  -0.2068844     16.93018 
1 1 1 -27 11  22 o 14.004  7.0625  -168.3394  112.622  -168.3394  112.622  0.0000     0.0000   14.004  7.0625  ?       ?       0.000000       7.062543 
1 1 1 -27 11  23 o 20.501  10.275  148.700    219.432  148.700    219.432  0.0000     0.0000   20.501  10.275  ?       ?       0.000000       10.27544 
1 1 1 -27 11  24 o 18.254  8.6064  52.126     99.074   94.814     214.615  40.565     111.687  19.590  9.8631  18.070  8.6893  1.519995       13.14479 
1 1 1 -27 11  25 o 20.863  9.4592  123.901    103.471  126.662    212.330  123.041    118.493  19.667  9.8899  20.440  9.5659  -0.7733116     13.75926 
1 1 1 -27 11  26 o 17.704  7.9015  55.896     69.084   257.597    117.965  -49.3906   85.228   26.066  10.968  14.291  7.0287  11.77433       13.02681 
1 1 1 -27 11  27 o 34.569  8.8967  255.150    75.061   282.977    109.767  230.710    102.873  28.425  11.064  26.053  10.525  2.371464       15.27052 
1 1 1 -27 11  28 o 31.907  9.3230  238.637    76.709   278.024    108.107  198.696    108.864  27.883  10.945  23.095  10.130  4.788166       14.91315 
1 1 1 -27 11  29 o 24.344  8.9480  151.733    69.404   223.074    103.061  92.531     93.883   24.744  10.321  18.755  8.6883  5.988544       13.49079 
1 1 1 -27 11  30 o 17.388  7.7107  60.847     64.721   -81.0992   102.166  155.991    83.644   14.056  7.0398  22.561  9.3444  -8.505255      11.69945 
1 1 1 -27 11  31 o 20.944  8.7115  120.585    73.141   39.128     111.017  183.056    97.223   16.787  8.2074  22.629  9.7520  -5.842201      12.74612 
1 1 1 -27 11  32 o 18.821  8.2318  88.552     71.431   114.698    112.552  70.919     92.432   18.817  8.9600  17.599  8.3025  1.217766       12.21527 
1 1 1 -27 11  33 o 14.261  6.8659  -5.6275    70.230   -23.7907   108.374  7.5223     92.212   15.265  7.5822  15.534  7.5698  -0.2693777     10.71414 
1 1 1 -27 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -27 11  35 o ?       ?       454.562    329.566  0.0000     0.0000   454.562    329.566  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 11  36 f 14.552  7.1718  -29.1263   90.294   -44.6243   341.731  -27.9631   93.621   ?       ?       14.718  7.2627  0.000000       7.262721 
1 1 1 -27 11  37 o 23.364  9.1008  154.837    74.307   254.665    107.916  64.834     102.467  25.210  10.542  17.339  8.3344  7.870628       13.43856 
1 1 1 -27 11  38 o 10.923  5.4244  -70.8560   55.363   -45.9058   77.357   -97.0545   79.269   13.328  6.5815  12.279  6.1572  1.048957       9.012620 
1 1 1 -27 11  39 o 12.876  6.4359  -74.7749   83.394   -265.8453  196.336  -32.7148   92.116   ?       ?       14.207  7.0453  0.000000       7.045341 
1 1 1 -27 11  40 o 19.256  8.9587  147.449    101.478  247.196    239.308  125.580    112.050  ?       ?       18.105  8.7056  0.000000       8.705572 
1 1 1 -27 12  1  o 16.608  7.8307  -2.1018    82.024   226.096    202.495  -46.8934   89.713   23.831  11.518  15.569  7.5593  8.261535       13.77726 
1 1 1 -27 12  2  o 22.007  9.3728  101.402    87.890   -148.2078  212.931  152.662    96.493   18.646  9.4357  24.964  10.154  -6.318213      13.86148 
1 1 1 -27 12  3  o 30.829  9.0307  185.589    71.895   264.224    103.962  113.509    99.533   32.780  11.040  22.557  9.7935  10.22371       14.75796 
1 1 1 -27 12  4  o 13.920  6.6253  -30.6046   61.387   23.540     87.417   -83.2822   86.225   18.070  8.3755  14.403  7.0808  3.667313       10.96751 
1 1 1 -27 12  5  f 20.606  8.4135  75.485     66.562   4.2698     94.392   145.926    93.878   17.656  8.3478  24.884  10.054  -7.227703      13.06750 
1 1 1 -27 12  6  o 23.039  8.7702  104.051    67.896   105.954    95.932   102.142    96.108   22.337  9.6563  22.120  9.6138  0.2165356      13.62601 
1 1 1 -27 12  7  o 12.971  6.2867  -55.1585   61.315   71.561     84.255   -197.8218  89.398   20.429  8.9375  12.329  6.2270  8.099340       10.89283 
1 1 1 -27 12  8  o 23.633  8.9736  112.414    70.966   102.663    97.535   123.384    103.448  22.137  9.6522  23.150  10.018  -1.012907      13.91110 
1 1 1 -27 12  9  o 29.512  9.0448  170.961    70.896   178.819    99.933   162.998    100.595  26.766  10.517  25.629  10.389  1.136913       14.78305 
1 1 1 -27 12  10 o 19.697  8.2612  63.926     66.576   49.501     93.947   78.477     94.360   19.440  8.8904  20.826  9.2690  -1.386021      12.84343 
1 1 1 -27 12  11 f 15.875  7.3108  4.3538     65.062   -13.0161   92.704   21.214     91.334   16.923  8.0783  18.118  8.4527  -1.195578      11.69213 
1 1 1 -27 12  12 o 30.637  9.2153  187.745    74.081   172.893    105.111  202.403    104.424  25.755  10.551  27.794  10.799  -2.039087      15.09767 
1 1 1 -27 12  13 o 26.156  9.1203  141.692    71.105   195.346    102.109  91.179     99.076   27.397  10.669  21.276  9.4814  6.121672       14.27347 
1 1 1 -27 12  14 f 13.369  6.4624  -48.5166   63.780   -19.2472   92.810   -74.7085   87.796   16.577  7.9586  14.635  7.1847  1.942477       10.72194 
1 1 1 -27 12  15 o 18.996  8.8079  45.149     96.803   28.131     104.795  144.131    252.734  18.581  8.7881  21.842  10.958  -3.261166      14.04693 
1 1 1 -27 12  16 o 47.798  11.346  527.033    129.613  483.934    147.372  674.235    272.353  39.287  13.145  28.838  13.788  10.44836       19.05028 
1 1 1 -27 12  17 f 28.608  11.159  240.543    111.844  179.452    124.416  497.805    255.316  24.133  10.697  26.198  12.727  -2.064363      16.62560 
1 1 1 -27 12  18 o 18.131  7.9770  48.733     67.955   -7.9145    106.187  88.024     88.435   17.196  8.3190  20.559  9.0701  -3.362457      12.30738 
1 1 1 -27 12  19 o 20.364  8.7228  84.957     76.915   151.554    132.957  51.459     94.295   22.247  10.318  18.715  8.6830  3.532074       13.48514 
1 1 1 -27 12  20 o 17.326  7.8691  36.483     72.009   -73.1686   129.805  85.229     86.547   16.420  8.1790  20.099  8.9146  -3.679279      12.09823 
1 1 1 -27 12  21 o 25.319  11.271  257.222    139.616  257.222    139.616  0.0000     0.0000   25.319  11.271  ?       ?       0.000000       11.27136 
1 1 1 -27 12  22 o 20.119  10.177  139.095    245.766  139.095    245.766  0.0000     0.0000   20.119  10.177  ?       ?       0.000000       10.17660 
1 1 1 -27 12  23 o 22.481  11.183  372.092    239.309  372.092    239.309  0.0000     0.0000   22.481  11.183  ?       ?       0.000000       11.18321 
1 1 1 -27 12  24 o 20.117  9.2639  109.978    104.451  98.574     222.759  113.192    118.257  19.200  9.7095  19.979  9.4148  -0.7790813     13.52447 
1 1 1 -27 12  25 o 26.285  9.5405  180.677    78.544   313.026    134.360  111.971    96.807   26.576  11.458  20.143  9.1391  6.433161       14.65669 
1 1 1 -27 12  26 o 22.738  9.0680  137.557    75.320   188.645    131.728  112.742    91.808   21.419  10.044  20.082  9.0251  1.336330       13.50290 
1 1 1 -27 12  27 o 21.430  9.0001  128.370    79.183   109.792    131.308  138.986    99.263   18.902  9.1700  20.744  9.3476  -1.842300      13.09449 
1 1 1 -27 12  28 o 25.391  9.3378  175.804    75.596   283.784    119.446  103.650    97.640   25.702  10.936  19.035  8.8328  6.666981       14.05745 
1 1 1 -27 12  29 o 13.178  6.3638  -21.7133   61.485   55.151     102.307  -65.1717   76.927   17.171  8.2714  12.957  6.4276  4.213863       10.47527 
1 1 1 -27 12  30 o 16.178  7.5330  39.940     71.991   39.776     109.052  40.066     95.843   16.701  8.1589  16.553  7.9818  0.1479225      11.41392 
1 1 1 -27 12  31 o 14.260  6.8108  0.9380     66.089   -231.7609  102.159  168.413    86.667   ?       ?       22.671  9.4609  0.000000       9.460903 
1 1 1 -27 12  32 o 20.773  8.6944  121.524    73.498   129.105    110.475  115.505    98.445   19.197  9.0623  19.080  8.8591  0.1169910      12.67318 
1 1 1 -27 12  33 o 15.834  7.7361  15.132     98.129   23.713     103.888  -55.8804   298.871  16.169  7.9126  ?       ?       0.000000       7.912570 
1 1 1 -27 12  34 o ?       ?       671.056    345.952  0.0000     0.0000   671.056    345.952  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 12  35 o 18.774  8.8379  108.689    103.719  0.0000     0.0000   108.689    103.719  ?       ?       18.774  8.8379  0.000000       8.837856 
1 1 1 -27 12  36 o 14.603  6.9632  6.9438     68.488   -52.6346   105.252  50.696     90.196   14.539  7.2615  16.768  7.9946  -2.229431      10.80013 
1 1 1 -27 12  37 o 13.853  6.6448  -4.4996    64.375   -14.7848   91.966   5.3812     90.140   14.763  7.2686  15.232  7.4359  -0.4684362     10.39829 
1 1 1 -27 12  38 o 18.179  8.5694  104.351    98.115   464.193    229.954  24.262     108.485  20.357  10.244  15.884  7.8347  4.472460       12.89669 
1 1 1 -27 12  39 o 17.448  8.2162  89.579     89.774   -212.5274  215.806  152.799    98.722   ?       ?       19.607  9.0206  0.000000       9.020608 
1 1 1 -27 12  40 o 14.370  7.0948  0.7303     89.744   -355.9890  210.332  80.127     99.230   ?       ?       16.540  8.0115  0.000000       8.011526 
1 1 1 -27 13  1  o 16.569  7.8246  -0.7021    82.479   148.702    205.980  -29.2318   90.010   22.024  10.850  16.013  7.7245  6.011574       13.31884 
1 1 1 -27 13  2  o 20.484  8.4839  77.894     68.945   61.090     103.582  91.261     92.383   19.804  9.1572  21.144  9.3017  -1.340055      13.05287 
1 1 1 -27 13  3  o 36.863  8.9463  257.513    79.209   262.578    116.606  253.173    107.933  30.210  11.495  30.787  11.182  -0.5769043     16.03694 
1 1 1 -27 13  4  o 52.823  6.7174  440.314    84.149   409.881    117.313  472.569    120.772  42.120  11.261  46.603  10.878  -4.483006      15.65740 
1 1 1 -27 13  5  o 14.252  6.7897  -28.8683   64.790   -80.0816   95.395   14.983     88.272   15.072  7.4172  17.622  8.2501  -2.549934      11.09405 
1 1 1 -27 13  6  o 21.639  8.6529  90.737     68.766   180.779    97.907   3.0764     96.604   26.752  10.439  17.571  8.3476  9.181034       13.36642 
1 1 1 -27 13  7  o 17.216  7.7673  26.287     68.781   -23.0242   97.522   75.094     97.022   16.774  8.0790  20.497  9.2385  -3.723801      12.27275 
1 1 1 -27 13  8  o 14.678  6.9353  -19.2552   64.953   -102.7224  93.545   58.447     90.257   14.413  7.1389  19.605  8.8666  -5.192661      11.38329 
1 1 1 -27 13  9  o 24.237  9.0320  122.211    71.161   147.683    96.907   92.399     104.835  24.497  10.094  21.275  9.5947  3.222898       13.92653 
1 1 1 -27 13  10 o 54.745  6.6243  470.445    86.203   479.884    119.792  460.308    124.145  47.432  10.667  44.534  11.431  2.898296       15.63516 
1 1 1 -27 13  11 o 35.392  8.6807  233.506    73.980   199.684    105.972  265.660    103.326  27.087  10.771  32.510  11.006  -5.422823      15.39944 
1 1 1 -27 13  12 o 17.656  7.7645  39.135     64.322   5.0879     90.801   73.428     91.130   17.233  8.1596  20.177  9.0349  -2.943480      12.17412 
1 1 1 -27 13  13 o 17.661  8.2902  18.769     90.151   7.6616     96.950   89.742     245.063  17.533  8.3394  21.104  10.614  -3.570601      13.49850 
1 1 1 -27 13  14 o 25.317  10.418  174.987    103.058  229.449    113.784  -73.7132   243.151  27.762  11.120  19.372  9.8327  8.390100       14.84392 
1 1 1 -27 13  15 o 23.787  10.124  151.645    102.413  208.200    111.242  -162.8153  262.309  26.488  10.853  ?       ?       0.000000       10.85284 
1 1 1 -27 13  16 o 22.218  9.7426  124.659    100.627  183.258    110.523  -159.2996  243.298  24.869  10.548  ?       ?       0.000000       10.54832 
1 1 1 -27 13  17 o 17.230  7.7136  36.524     66.379   49.902     98.650   25.456     89.732   18.722  8.7513  17.553  8.2496  1.169342       12.02670 
1 1 1 -27 13  18 o 15.745  7.3248  8.8119     67.813   -203.5610  118.121  113.218    82.821   13.851  7.0114  21.879  9.1972  -8.027632      11.56500 
1 1 1 -27 13  19 o 21.734  8.9915  109.932    77.315   239.124    132.585  43.366     95.171   25.155  11.101  18.134  8.5142  7.021053       13.99043 
1 1 1 -27 13  20 o 14.502  7.2602  -114.2156  108.134  18.844     126.133  -483.2128  210.047  17.897  8.7495  ?       ?       0.000000       8.749543 
1 1 1 -27 13  21 o ?       ?       -36.1713   265.315  -36.1713   265.315  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 13  22 o ?       ?       -406.7074  248.020  -406.7074  248.020  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 13  23 o 14.738  7.2574  -45.8844   91.803   0.0000     0.0000   -45.8844   91.803   ?       ?       14.738  7.2574  0.000000       7.257406 
1 1 1 -27 13  24 o 35.772  9.1576  279.446    79.824   248.127    135.455  296.109    98.804   23.443  10.703  31.934  10.763  -8.491030      15.17891 
1 1 1 -27 13  25 o 20.419  8.4652  102.137    68.735   81.940     128.516  110.229    81.348   18.369  8.9478  20.256  8.8240  -1.887770      12.56686 
1 1 1 -27 13  26 o 21.979  9.1062  138.631    79.468   202.926    131.140  101.321    99.899   21.386  10.026  18.987  8.8518  2.399334       13.37452 
1 1 1 -27 13  27 o 29.612  9.5031  225.135    77.382   276.415    127.399  195.156    97.409   24.105  10.746  23.437  9.9197  0.6678829      14.62464 
1 1 1 -27 13  28 o 29.267  9.5316  225.104    77.658   342.064    127.055  155.352    98.119   26.974  11.368  20.991  9.3890  5.983297       14.74411 
1 1 1 -27 13  29 o 21.251  8.8058  129.394    74.325   289.949    123.209  37.543     93.191   24.674  10.801  16.358  7.8833  8.316647       13.37190 
1 1 1 -27 13  30 o 16.777  7.7015  55.048     71.413   76.012     108.431  38.990     94.903   17.510  8.4547  16.376  7.9075  1.134676       11.57630 
1 1 1 -27 13  31 o 14.223  6.8554  -4.1509    70.514   1.3394     107.355  -8.3169    93.515   15.620  7.7210  15.019  7.3817  0.6016207      10.68189 
1 1 1 -27 13  32 o 16.361  7.9736  35.445     102.401  -16.2137   108.515  455.493    309.433  15.292  7.5942  ?       ?       0.000000       7.594194 
1 1 1 -27 13  33 o ?       ?       85.615     285.258  0.0000     0.0000   85.615     285.258  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 13  34 o 18.257  8.6836  97.538     105.119  0.0000     0.0000   97.538     105.119  ?       ?       18.257  8.6836  0.000000       8.683599 
1 1 1 -27 13  35 o 17.165  7.7685  62.550     69.430   96.672     103.614  34.743     93.536   18.179  8.6391  16.220  7.8369  1.958864       11.66415 
1 1 1 -27 13  36 o 17.245  7.6966  65.518     65.547   105.500    90.939   22.286     94.563   18.634  8.6034  15.750  7.6728  2.883752       11.52782 
1 1 1 -27 13  37 f 12.982  6.4468  -54.5756   78.204   -349.1785  261.240  -25.5761   81.963   ?       ?       13.898  6.8462  0.000000       6.846172 
1 1 1 -27 13  38 o 11.275  5.7065  -133.1265  78.033   -574.1188  223.196  -71.7160   83.290   ?       ?       12.730  6.3728  0.000000       6.372824 
1 1 1 -27 13  39 o 16.295  7.9134  72.069     98.467   387.654    259.181  18.836     106.448  ?       ?       15.065  7.4881  0.000000       7.488113 
1 1 1 -27 14  1  f 27.907  9.2448  166.768    72.940   205.156    107.597  134.126    99.218   26.722  10.775  22.995  9.8799  3.727516       14.61876 
1 1 1 -27 14  2  o 49.633  7.1656  406.036    83.796   364.375    118.918  447.124    118.096  36.880  11.775  44.218  11.041  -7.338203      16.14143 
1 1 1 -27 14  3  o 29.961  9.4317  190.725    76.510   218.863    112.525  166.531    104.340  27.316  11.017  24.778  10.364  2.538788       15.12574 
1 1 1 -27 14  4  o 40.440  8.4665  297.482    80.412   286.921    115.023  307.578    112.461  31.777  11.544  33.876  11.482  -2.098557      16.28182 
1 1 1 -27 14  5  o 20.584  8.5467  80.656     70.221   -37.7007   102.338  185.960    96.530   16.429  7.9987  26.842  10.396  -10.41333      13.11685 
1 1 1 -27 14  6  o 15.551  7.2344  0.1145     66.154   17.143     99.723   -13.2685   88.407   17.984  8.5257  16.424  7.8538  1.560034       11.59181 
1 1 1 -27 14  7  o 16.448  7.5271  16.261     67.498   15.824     98.429   16.650     92.738   17.888  8.4771  17.698  8.3392  0.1894836      11.89135 
1 1 1 -27 14  8  o 19.900  8.5069  71.356     72.887   166.221    102.900  -24.1681   103.257  24.934  10.349  16.835  8.1589  8.099768       13.17832 
1 1 1 -27 14  9  o 37.077  9.1468  268.494    81.779   237.723    114.972  300.005    116.346  28.290  11.228  32.479  11.635  -4.189756      16.16924 
1 1 1 -27 14  10 o 14.119  6.7574  -31.0046   65.771   -49.2099   91.525   -11.5652   94.577   15.442  7.5286  16.737  8.0349  -1.294333      11.01089 
1 1 1 -27 14  11 o 43.596  8.1254  337.272    82.789   432.131    115.197  235.939    119.063  43.632  10.910  27.503  11.244  16.12898       15.66668 
1 1 1 -27 14  12 o 29.524  11.050  245.069    106.738  315.874    118.717  -53.6096   243.829  32.776  11.752  19.408  9.8501  13.36869       15.33381 
1 1 1 -27 14  13 o 14.740  7.2767  -78.9277   94.327   -59.2089   104.141  -169.0054  222.583  15.780  7.7625  ?       ?       0.000000       7.762515 
1 1 1 -27 14  14 o 23.792  10.138  157.407    102.932  212.927    112.185  -138.0928  258.815  26.309  10.853  ?       ?       0.000000       10.85294 
1 1 1 -27 14  15 o 17.721  7.9539  43.061     71.063   100.346    104.819  -5.6649    96.672   20.735  9.4469  16.710  8.0473  4.024452       12.40982 
1 1 1 -27 14  16 o 18.951  8.3938  64.725     76.467   92.544     118.832  45.066     99.898   20.182  9.4879  18.396  8.6641  1.785498       12.84857 
1 1 1 -27 14  17 o 18.028  8.1258  50.485     75.067   83.249     128.022  33.318     92.669   19.716  9.4342  17.681  8.3324  2.035709       12.58700 
1 1 1 -27 14  18 o 31.502  9.9519  237.692    85.120   236.028    141.423  238.637    106.588  24.065  10.968  27.597  10.856  -3.531309      15.43207 
1 1 1 -27 14  19 o 19.616  8.5745  83.055     77.407   152.879    128.697  43.478     96.893   21.437  10.012  17.875  8.4533  3.561987       13.10337 
1 1 1 -27 14  20 o ?       ?       217.494    277.957  217.494    277.957  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 14  21 o ?       ?       184.041    300.273  184.041    300.273  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 14  22 o 13.921  6.9280  -79.2081   92.279   154.918    294.923  -104.6169  97.157   ?       ?       13.696  6.8607  0.000000       6.860704 
1 1 1 -27 14  23 o 33.082  9.7315  266.446    83.331   441.956    139.242  168.510    104.013  31.973  12.457  22.123  9.7943  9.849966       15.84630 
1 1 1 -27 14  24 o 12.554  6.2035  -63.5985   69.111   183.655    135.385  -150.7356  80.372   20.720  9.8551  11.587  5.8570  9.133707       11.46424 
1 1 1 -27 14  25 o 18.545  8.2488  82.638     74.614   -20.3957   132.030  130.984    90.440   16.069  8.0416  20.522  9.1070  -4.452772      12.14925 
1 1 1 -27 14  26 o 14.977  7.0859  14.611     68.232   34.088     125.646  6.4655     81.257   16.789  8.3082  15.176  7.3254  1.612623       11.07647 
1 1 1 -27 14  27 o 14.463  6.9029  4.6343     67.641   115.292    119.720  -47.2514   81.979   18.541  8.9356  13.602  6.7275  4.939778       11.18498 
1 1 1 -27 14  28 o 13.529  6.6036  -25.4602   71.019   13.838     122.210  -45.4983   87.267   16.127  8.0174  13.856  6.8687  2.271709       10.55738 
1 1 1 -27 14  29 o 14.795  7.0322  14.198     68.709   -54.3898   130.777  40.349     80.752   15.142  7.6332  16.139  7.6570  -0.9971132     10.81184 
1 1 1 -27 14  30 o 14.164  6.8292  -3.6208    70.135   -133.9288  130.401  49.416     83.192   14.090  7.1563  16.486  7.8073  -2.396498      10.59083 
1 1 1 -27 14  31 o 16.850  8.1465  57.013     101.469  51.778     108.623  92.868     284.303  16.741  8.1704  ?       ?       0.000000       8.170395 
1 1 1 -27 14  32 o ?       ?       -484.4276  282.479  0.0000     0.0000   -484.4276  282.479  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 14  33 o ?       ?       -116.6295  276.162  0.0000     0.0000   -116.6295  276.162  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 14  34 o 16.612  7.9860  50.009     94.181   -135.2265  288.360  72.128     99.645   ?       ?       17.319  8.2966  0.000000       8.296623 
1 1 1 -27 14  35 o 19.436  8.2993  103.050    69.237   100.753    102.282  104.992    94.064   18.060  8.5827  18.414  8.5864  -0.3542252     12.14041 
1 1 1 -27 14  36 o 14.202  7.0388  -26.9137   91.444   66.815     268.325  -39.2299   97.266   ?       ?       14.151  7.0539  0.000000       7.053923 
1 1 1 -27 14  37 o 16.363  7.9200  62.372     96.544   -72.0771   256.402  84.584     104.214  ?       ?       16.948  8.2094  0.000000       8.209398 
1 1 1 -27 14  38 o 15.031  7.3952  26.226     94.638   -118.1645  261.531  47.982     101.518  ?       ?       15.618  7.6793  0.000000       7.679308 
1 1 1 -27 15  1  o 12.503  6.1152  -62.1542   61.816   -55.8529   92.061   -67.3280   83.418   15.114  7.4072  14.230  6.9895  0.8838654      10.18435 
1 1 1 -27 15  2  o 20.670  8.5199  85.748     69.067   -13.7775   101.035  173.058    94.632   16.781  8.1171  25.515  10.168  -8.734257      13.01049 
1 1 1 -27 15  3  o 24.074  9.1132  128.912    73.052   110.141    105.244  146.365    101.482  21.423  9.6420  23.393  10.020  -1.970152      13.90562 
1 1 1 -27 15  4  o 18.334  8.0074  51.820     67.381   -95.3444   99.377   177.050    91.672   14.709  7.2981  26.230  10.139  -11.52117      12.49210 
1 1 1 -27 15  5  o 24.995  9.1530  137.835    72.523   192.032    104.758  87.955     100.499  25.991  10.577  20.523  9.3118  5.467533       14.09190 
1 1 1 -27 15  6  o 17.547  7.8787  37.467     69.793   -60.6644   97.931   138.752    99.491   15.430  7.5778  23.129  9.9143  -7.698582      12.47864 
1 1 1 -27 15  7  o 32.078  9.4000  216.488    77.882   309.254    110.966  126.427    109.337  33.697  11.406  22.130  9.9041  11.56659       15.10567 
1 1 1 -27 15  8  o 20.623  8.5156  84.500     69.159   117.050    97.216   51.148     98.406   21.966  9.6054  18.926  8.8107  3.040216       13.03428 
1 1 1 -27 15  9  o 16.238  7.5048  13.814     69.450   6.6615     100.570  20.335     96.023   17.389  8.3314  17.681  8.3774  -0.2922726     11.81492 
1 1 1 -27 15  10 o 16.353  7.5218  17.709     68.588   -73.4087   96.026   112.613    98.001   14.934  7.3670  21.597  9.5369  -6.662550      12.05098 
1 1 1 -27 15  11 o 15.202  7.4892  -65.8504   98.128   -88.4422   106.974  54.046     246.437  15.202  7.5477  20.084  10.162  -4.882548      12.65861 
1 1 1 -27 15  12 f 26.649  11.191  241.241    122.436  240.546    135.096  244.434    289.680  25.488  11.229  21.545  10.914  3.943426       15.65920 
1 1 1 -27 15  13 o 23.167  10.234  162.607    112.945  128.162    123.708  335.122    276.852  21.380  9.9283  22.345  11.244  -0.9657612     15.00019 
1 1 1 -27 15  14 o 22.709  8.8579  116.404    70.466   164.486    99.025   67.080     100.296  23.974  10.066  19.143  8.9064  4.831007       13.44079 
1 1 1 -27 15  15 o 22.324  8.9198  115.628    73.011   65.010     117.122  147.801    93.375   19.066  9.0956  23.182  9.7565  -4.116104      13.33862 
1 1 1 -27 15  16 o 18.242  8.1407  57.724     73.312   59.176     119.993  56.858     92.605   18.775  9.0233  18.421  8.5663  0.3541718      12.44194 
1 1 1 -27 15  17 o 16.438  7.6730  22.761     75.433   -24.8967   118.539  55.193     97.788   16.562  8.1726  18.282  8.5986  -1.720356      11.86286 
1 1 1 -27 15  18 o 13.984  6.7328  -24.7287   67.569   -65.3240   120.187  -5.9680    81.704   15.711  7.8329  15.505  7.4501  0.2057467      10.81007 
1 1 1 -27 15  19 o ?       ?       -48.5410   277.815  -48.5410   277.815  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 15  20 o ?       ?       12.918     266.759  12.918     266.759  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 15  21 o 22.239  9.8409  171.159    104.873  522.982    304.523  123.817    111.706  ?       ?       19.921  9.3118  0.000000       9.311832 
1 1 1 -27 15  22 o 12.741  6.3147  -70.3414   73.626   -22.6039   126.359  -94.8798   90.594   16.112  8.0327  13.324  6.6670  2.787704       10.43906 
1 1 1 -27 15  23 o 33.490  9.3677  265.108    79.104   197.235    145.325  293.684    94.297   20.472  9.8607  31.736  10.511  -11.26424      14.41256 
1 1 1 -27 15  24 o 15.982  7.4903  33.908     73.090   172.732    129.445  -31.0683   88.559   20.112  9.5855  14.423  7.1072  5.688862       11.93286 
1 1 1 -27 15  25 o 21.588  9.2223  150.487    85.561   268.942    143.919  85.735     106.407  21.876  10.332  17.876  8.5659  4.000370       13.42117 
1 1 1 -27 15  26 o 14.062  6.7712  -5.0327    68.380   -28.1219   151.004  0.9234     76.694   15.907  8.0398  14.651  7.0833  1.255539       10.71497 
1 1 1 -27 15  27 o 14.797  7.0850  11.529     72.483   14.681     122.248  9.8198     90.012   16.040  7.9811  15.297  7.4597  0.7423916      10.92448 
1 1 1 -27 15  28 o 17.739  8.0931  79.321     77.262   56.297     136.414  90.195     93.749   16.846  8.3903  17.886  8.4147  -1.040157      11.88295 
1 1 1 -27 15  29 o 15.854  7.4222  39.588     71.435   67.477     126.409  26.502     86.586   17.012  8.4032  15.650  7.5560  1.362494       11.30077 
1 1 1 -27 15  30 o 14.881  7.4789  -47.8586   120.429  -67.5747   148.648  -10.2004   205.436  15.255  7.7370  ?       ?       0.000000       7.737026 
1 1 1 -27 15  31 o ?       ?       -328.6938  162.124  0.0000     0.0000   -328.6938  162.124  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 15  32 o ?       ?       -26.2824   298.692  0.0000     0.0000   -26.2824   298.692  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 15  33 o 17.262  8.0818  71.055     84.714   -136.8953  298.748  89.238     88.340   ?       ?       17.958  8.3561  0.000000       8.356105 
1 1 1 -27 15  34 o 15.526  7.2622  35.443     68.129   -93.9277   97.433   159.210    95.300   13.219  6.6543  20.611  9.2337  -7.392141      11.38163 
1 1 1 -27 15  35 o 16.289  7.8268  53.648     90.187   -69.5047   268.970  69.248     95.728   ?       ?       16.782  8.0637  0.000000       8.063709 
1 1 1 -27 15  36 o 13.015  6.4772  -48.5234   80.667   -156.1437  266.039  -37.6271   84.652   ?       ?       13.447  6.6828  0.000000       6.682761 
1 1 1 -27 15  37 o 20.904  9.5792  229.133    109.815  -164.1995  294.418  292.698    118.356  ?       ?       22.511  10.170  0.000000       10.16963 
1 1 1 -27 16  1  o 21.747  8.5920  101.681    67.035   86.064     94.792   117.305    94.813   20.017  9.0668  21.587  9.4615  -1.569075      13.10440 
1 1 1 -27 16  2  o 17.924  7.8668  49.831     65.739   -1.7953    93.746   99.780     92.210   16.634  7.9894  20.785  9.2110  -4.150509      12.19318 
1 1 1 -27 16  3  o 11.904  5.8374  -64.5222   57.435   -84.0838   81.619   -45.3332   80.838   13.585  6.7181  14.585  7.1030  -1.000273      9.776826 
1 1 1 -27 16  4  o 9.9780  5.0413  -146.3739  58.917   -81.3934   91.546   -192.3182  76.978   14.371  7.1081  11.027  5.5902  3.343532       9.043009 
1 1 1 -27 16  5  f 15.970  7.3762  13.797     66.939   52.012     97.601   -20.1434   91.981   18.705  8.7303  16.031  7.7519  2.674393       11.67516 
1 1 1 -27 16  6  o 19.057  8.3306  65.484     73.075   123.835    103.299  7.0324     103.388  21.795  9.6994  17.324  8.3380  4.470722       12.79066 
1 1 1 -27 16  7  o 12.358  6.0930  -76.9746   65.390   -45.8960   95.117   -104.8263  90.044   15.459  7.5663  13.737  6.8376  1.722163       10.19812 
1 1 1 -27 16  8  o 18.998  8.2926  65.296     72.171   201.305    103.738  -62.2832   100.472  26.085  10.558  15.327  7.5562  10.75737       12.98329 
1 1 1 -27 16  9  o 18.808  8.7072  58.244     94.069   36.533     99.361   245.933    292.142  18.076  8.5519  21.330  10.821  -3.253757      13.79241 
1 1 1 -27 16  10 o 24.906  10.654  201.757    114.474  102.286    126.805  639.876    266.125  20.372  9.6447  26.436  12.877  -6.064337      16.08855 
1 1 1 -27 16  11 o 16.619  8.0709  -10.1176   102.416  -61.4001   111.969  252.535    253.398  15.798  7.8223  21.515  10.818  -5.717495      13.34949 
1 1 1 -27 16  12 o 21.154  9.6592  123.178    110.348  82.673     121.303  317.539    265.715  19.594  9.3220  21.868  11.006  -2.274271      14.42303 
1 1 1 -27 16  13 o 13.840  6.6798  -32.3531   67.511   -84.9769   98.809   13.721     92.456   14.524  7.2186  16.832  8.0441  -2.308417      10.80812 
1 1 1 -27 16  14 o 21.191  8.8922  107.160    77.194   87.654     115.640  122.838    103.675  19.513  9.2300  21.048  9.5124  -1.534643      13.25444 
1 1 1 -27 16  15 o 21.327  8.9499  111.918    78.210   239.409    119.871  17.417     103.203  25.435  10.892  17.086  8.2494  8.348846       13.66337 
1 1 1 -27 16  16 o 20.453  8.6911  99.183     75.258   -9.3852    117.287  175.169    98.122   16.683  8.2128  23.741  9.9970  -7.057791      12.93793 
1 1 1 -27 16  17 o 17.120  7.8595  43.684     74.388   24.287     121.023  55.463     94.307   17.394  8.5180  17.915  8.4316  -0.5208740     11.98534 
1 1 1 -27 16  18 o 19.856  10.023  207.027    229.784  207.027    229.784  0.0000     0.0000   19.856  10.023  ?       ?       0.000000       10.02301 
1 1 1 -27 16  19 o 22.284  11.237  602.896    284.734  602.896    284.734  0.0000     0.0000   22.284  11.237  ?       ?       0.000000       11.23700 
1 1 1 -27 16  20 o ?       ?       463.434    302.501  463.434    302.501  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 16  21 o 19.864  8.7528  109.513    82.113   182.495    135.736  67.389     103.123  20.458  9.7682  17.701  8.4692  2.756300       12.92850 
1 1 1 -27 16  22 o 14.997  6.9783  20.500     61.612   -65.9958   127.638  46.776     70.350   15.153  7.6264  16.542  7.6121  -1.388367      10.77524 
1 1 1 -27 16  23 f 10.479  5.2974  -135.6065  65.770   -8.3616    124.946  -184.3786  77.355   15.871  7.9246  ?       ?       0.000000       7.924576 
1 1 1 -27 16  24 o 10.753  5.4326  -131.1541  68.352   29.835     131.475  -190.7830  80.016   16.493  8.2178  ?       ?       0.000000       8.217793 
1 1 1 -27 16  25 o 16.998  7.7986  62.993     73.081   53.342     139.189  66.667     85.870   16.821  8.3934  17.092  8.0447  -0.2705936     11.62609 
1 1 1 -27 16  26 o 21.003  8.9800  142.592    81.250   108.835    132.067  163.150    103.063  17.776  8.7438  20.324  9.3010  -2.547838      12.76570 
1 1 1 -27 16  27 o 15.519  7.3669  31.732     74.936   118.037    127.632  -13.6684   92.570   17.977  8.7915  14.638  7.2231  3.339250       11.37822 
1 1 1 -27 16  28 o 10.151  5.1321  -128.0488  61.885   -427.0692  118.309  -15.4147   72.611   ?       ?       13.762  6.7087  0.000000       6.708707 
1 1 1 -27 16  29 o 19.396  9.2654  167.854    122.393  62.296     145.952  417.984    224.670  16.821  8.4232  19.999  10.072  -3.178734      13.13013 
1 1 1 -27 16  30 o ?       ?       -192.1430  195.172  0.0000     0.0000   -192.1430  195.172  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 16  31 o ?       ?       0.0046     196.030  0.0000     0.0000   0.0046     196.030  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 16  32 o 12.468  6.2501  -87.8009   81.316   0.0000     0.0000   -87.8009   81.316   ?       ?       12.468  6.2501  0.000000       6.250052 
1 1 1 -27 16  33 o 19.483  8.4532  112.688    74.050   1.1419     117.741  185.680    95.244   15.451  7.7114  21.798  9.5203  -6.346609      12.25161 
1 1 1 -27 16  34 o 14.540  7.2007  -11.0353   95.049   290.641    263.641  -56.1048   101.902  ?       ?       13.866  6.9569  0.000000       6.956897 
1 1 1 -27 16  35 o 15.711  7.6895  44.952     98.220   209.167    271.542  20.233     105.353  ?       ?       15.207  7.5402  0.000000       7.540237 
1 1 1 -27 16  36 o 12.086  6.1028  -97.0583   85.638   -222.1238  262.103  -82.1111   90.611   ?       ?       12.579  6.3428  0.000000       6.342766 
1 1 1 -27 17  1  o 19.876  8.2650  81.294     65.806   146.588    91.110   10.086     95.147   23.122  9.6791  16.821  8.0710  6.301266       12.60264 
1 1 1 -27 17  2  o 26.701  9.0655  160.286    70.104   204.194    97.886   114.050    100.448  26.424  10.401  20.954  9.4264  5.469381       14.03677 
1 1 1 -27 17  3  o 14.889  6.9586  1.2858     62.344   -3.8216    88.225   6.3799     88.110   16.144  7.7530  16.484  7.8707  -0.3397884     11.04792 
1 1 1 -27 17  4  o 21.896  8.7993  109.191    71.500   96.911     100.193  121.936    102.067  20.237  9.2264  21.338  9.5579  -1.100906      13.28460 
1 1 1 -27 17  5  o 16.056  7.3471  21.743     64.280   49.550     86.131   -13.2148   96.573   18.124  8.3698  16.237  7.8741  1.887436       11.49149 
1 1 1 -27 17  6  o 21.573  8.6937  104.175    70.007   84.866     99.429   123.158    98.585   19.715  9.0640  21.501  9.5265  -1.785906      13.14950 
1 1 1 -27 17  7  f 16.706  7.6361  30.339     69.181   33.220     100.801  27.773     95.119   17.778  8.4690  17.451  8.2885  0.3266392      11.85009 
1 1 1 -27 17  8  o 23.969  10.612  202.860    122.133  185.603    133.333  292.828    304.440  22.649  10.443  ?       ?       0.000000       10.44323 
1 1 1 -27 17  9  o 15.566  7.7049  -58.0144   108.301  -111.0235  118.073  223.055    271.882  15.020  7.5294  20.703  10.497  -5.683441      12.91775 
1 1 1 -27 17  10 o 15.969  7.8672  -37.5484   108.300  -5.2662    117.755  -214.7047  275.852  17.028  8.3516  ?       ?       0.000000       8.351574 
1 1 1 -27 17  11 o 13.828  6.7544  -47.1412   74.690   -172.3388  116.820  39.424     97.138   13.943  7.0495  17.700  8.3979  -3.756871      10.96447 
1 1 1 -27 17  12 o 16.413  7.6696  23.583     75.687   77.231     112.554  -20.7005   102.260  19.016  9.0273  16.009  7.8374  3.007658       11.95477 
1 1 1 -27 17  13 o 14.652  7.0501  -17.1299   73.803   5.6327     105.843  -38.6698   102.962  16.727  8.1420  15.531  7.6551  1.196159       11.17558 
1 1 1 -27 17  14 o 14.604  6.9968  -11.8461   70.913   15.500     107.230  -33.1012   94.536   16.928  8.2297  15.216  7.4672  1.712023       11.11247 
1 1 1 -27 17  15 o 13.422  6.5492  -41.9451   69.693   -61.8123   104.216  -25.8724   93.737   14.923  7.4164  15.284  7.4869  -0.3602734     10.53835 
1 1 1 -27 17  16 o 15.192  7.4529  -26.2714   93.943   147.375    219.300  -65.2984   103.966  19.211  9.7078  14.755  7.3448  4.455588       12.17327 
1 1 1 -27 17  17 o 18.888  9.5687  137.747    223.016  137.747    223.016  0.0000     0.0000   18.888  9.5687  ?       ?       0.000000       9.568748 
1 1 1 -27 17  18 o ?       ?       -71.2219   214.940  -71.2219   214.940  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 17  19 f 20.151  9.5749  162.332    127.178  162.332    127.178  0.0000     0.0000   20.151  9.5749  ?       ?       0.000000       9.574901 
1 1 1 -27 17  20 o 16.301  7.7612  36.062     84.396   128.584    147.112  -9.3263    103.038  18.644  9.1820  15.467  7.6303  3.176802       11.93863 
1 1 1 -27 17  21 o 15.689  7.2900  33.512     66.863   -155.3127  127.163  105.665    78.606   13.838  7.0321  19.385  8.5517  -5.546986      11.07169 
1 1 1 -27 17  22 o 18.919  8.1628  92.480     68.286   44.278     132.145  110.041    79.761   16.725  8.3183  19.391  8.5812  -2.665546      11.95124 
1 1 1 -27 17  23 o 26.959  9.7244  219.400    81.416   196.143    140.038  231.275    100.066  19.609  9.5028  24.215  10.141  -4.606943      13.89742 
1 1 1 -27 17  24 o 28.717  9.6055  232.876    78.693   289.602    141.311  207.378    94.742   21.857  10.297  23.328  9.8233  -1.471012      14.23131 
1 1 1 -27 17  25 o 18.869  8.3470  103.165    75.390   8.4183     128.874  152.457    92.954   15.778  7.9031  20.348  9.1174  -4.570302      12.06592 
1 1 1 -27 17  26 o 25.104  9.7967  215.344    86.225   444.763    137.109  65.249     110.900  28.400  11.880  16.726  8.1829  11.67365       14.42525 
1 1 1 -27 17  27 o 21.040  8.8962  142.670    78.219   129.597    133.190  149.553    96.640   17.948  8.8190  19.864  9.0582  -1.915411      12.64222 
1 1 1 -27 17  28 o 16.734  8.2642  65.687     122.041  -22.5956   153.540  217.160    201.119  15.635  7.9226  18.180  9.1967  -2.545055      12.13868 
1 1 1 -27 17  29 o 14.730  7.3880  -37.8800   114.434  30.654     139.733  -177.4546  199.411  16.225  8.1413  ?       ?       0.000000       8.141298 
1 1 1 -27 17  30 o ?       ?       -108.6983  209.242  0.0000     0.0000   -108.6983  209.242  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 17  31 o 14.452  7.1275  -13.7689   89.696   0.0000     0.0000   -13.7689   89.696   ?       ?       14.452  7.1275  0.000000       7.127505 
1 1 1 -27 17  32 o 16.619  7.8136  63.573     80.623   91.466     136.432  48.606     99.939   17.035  8.4690  16.150  7.8723  0.8843460      11.56279 
1 1 1 -27 17  33 o 20.507  9.3330  184.074    101.941  241.821    258.078  173.398    110.965  ?       ?       19.448  9.1510  0.000000       9.150969 
1 1 1 -27 17  34 o 21.046  9.6023  223.348    108.774  -309.5602  279.280  318.643    118.100  ?       ?       24.072  10.555  0.000000       10.55495 
1 1 1 -27 17  35 o 14.504  7.1633  15.803     91.731   410.883    275.089  -33.6239   97.300   ?       ?       13.608  6.8237  0.000000       6.823695 
1 1 1 -27 18  1  o 33.257  8.9459  233.119    73.765   280.758    101.811  180.478    107.023  30.937  10.905  23.426  10.163  7.511047       14.90646 
1 1 1 -27 18  2  o 11.838  5.8344  -68.7477   59.783   0.0236     81.618   -148.3555  87.813   15.745  7.5334  12.469  6.2817  3.276045       9.808821 
1 1 1 -27 18  3  o 14.255  6.7529  -9.2123    62.348   14.619     88.167   -33.0500   88.179   16.541  7.8909  15.053  7.3498  1.487947       10.78363 
1 1 1 -27 18  4  o 18.274  8.0274  61.628     68.588   47.244     93.737   78.204     100.623  17.869  8.4089  19.099  8.8974  -1.229473      12.24225 
1 1 1 -27 18  5  o 11.849  5.8354  -67.3067   59.393   -40.1909   81.700   -97.6984   86.495   14.477  7.0701  13.364  6.6601  1.112689       9.713042 
1 1 1 -27 18  6  o 14.697  7.2131  -46.0302   88.262   -68.4017   96.486   68.687     218.489  14.616  7.2414  19.096  9.6532  -4.479959      12.06737 
1 1 1 -27 18  7  o 17.299  8.2115  33.183     93.105   71.126     102.193  -152.1283  225.846  18.774  8.8173  ?       ?       0.000000       8.817257 
1 1 1 -27 18  8  o 19.515  9.1539  93.888     109.556  63.222     122.141  220.121    247.811  18.566  8.9666  20.374  10.298  -1.807625      13.65439 
1 1 1 -27 18  9  o 17.432  8.3794  33.173     103.622  85.670     111.550  -297.2505  279.858  19.151  9.0608  ?       ?       0.000000       9.060779 
1 1 1 -27 18  10 o 15.685  7.3539  14.775     70.574   -104.9749  98.060   143.455    101.650  13.846  6.9291  21.631  9.6243  -7.785210      11.85913 
1 1 1 -27 18  11 o 34.348  9.8144  279.545    85.877   230.679    125.100  323.093    118.098  23.917  10.657  30.004  11.532  -6.086597      15.70190 
1 1 1 -27 18  12 o 17.531  7.9957  53.552     75.333   145.212    106.973  -36.6288   106.107  21.196  9.6133  15.515  7.6701  5.681627       12.29821 
1 1 1 -27 18  13 o 12.208  6.0644  -82.0621   69.377   -150.4646  99.843   -18.2005   96.472   13.036  6.5835  15.503  7.5947  -2.467073      10.05094 
1 1 1 -27 18  14 o 20.868  8.8972  117.089    79.352   243.839    113.972  -2.1601    110.548  25.050  10.671  16.254  7.9961  8.795662       13.33448 
1 1 1 -27 18  15 o 12.084  6.0993  -143.1772  85.046   -50.0653   195.010  -165.0456  94.507   ?       ?       12.377  6.2661  0.000000       6.266144 
1 1 1 -27 18  16 o 16.318  7.8260  27.640     89.244   -146.4387  208.727  66.582     98.723   ?       ?       17.733  8.4287  0.000000       8.428689 
1 1 1 -27 18  17 o ?       ?       -12.9566   212.719  -12.9566   212.719  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 18  18 o 20.514  9.6072  174.906    119.863  174.906    119.863  0.0000     0.0000   20.514  9.6072  ?       ?       0.000000       9.607241 
1 1 1 -27 18  19 o 16.268  7.7279  40.706     82.762   88.049     121.721  0.0001     112.867  17.753  8.6611  15.736  7.8028  2.017178       11.65751 
1 1 1 -27 18  20 o 24.329  9.8244  204.919    89.598   285.297    126.309  123.507    127.118  23.592  10.595  18.347  8.9287  5.245363       13.85583 
1 1 1 -27 18  21 o 14.546  7.0302  3.6916     75.416   206.699    125.949  -109.7782  94.163   20.480  9.6706  12.820  6.4645  7.659854       11.63224 
1 1 1 -27 18  22 o 14.366  6.9263  4.3716     72.125   176.851    131.130  -70.4403   86.361   19.203  9.2785  13.070  6.5352  6.133387       11.34898 
1 1 1 -27 18  23 o 19.327  8.2194  103.818    67.411   3.3670     132.596  138.830    78.282   15.668  7.8709  20.742  8.8401  -5.074459      11.83638 
1 1 1 -27 18  24 o 12.383  6.1340  -52.4363   69.086   45.164     120.449  -100.2880  84.338   16.211  8.0421  12.306  6.1943  3.904874       10.15112 
1 1 1 -27 18  25 o 29.560  9.9643  266.020    84.688   209.094    133.890  303.983    109.339  19.600  9.4468  26.133  10.740  -6.532864      14.30319 
1 1 1 -27 18  26 o 13.530  6.6334  -20.6407   74.036   -66.8221   124.972  4.3321     91.899   14.432  7.2962  14.858  7.3056  -0.4254932     10.32505 
1 1 1 -27 18  27 o 23.306  10.619  322.325    132.473  218.300    157.477  574.125    245.005  18.904  9.3454  20.406  10.306  -1.502056      13.91258 
1 1 1 -27 18  28 o 15.742  7.8411  20.234     119.276  -20.9760   141.788  119.996    220.607  15.416  7.7914  ?       ?       0.000000       7.791438 
1 1 1 -27 18  29 o ?       ?       47.129     228.100  0.0000     0.0000   47.129     228.100  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 18  30 o 19.587  9.0893  157.192    103.395  0.0000     0.0000   157.192    103.395  ?       ?       19.587  9.0893  0.000000       9.089291 
1 1 1 -27 18  31 o 17.754  8.3506  101.559    92.235   299.396    255.574  71.933     98.900   ?       ?       16.660  8.0517  0.000000       8.051682 
1 1 1 -27 18  32 o 18.990  8.8680  150.716    100.911  -486.4561  267.405  256.523    108.967  ?       ?       22.799  10.063  0.000000       10.06269 
1 1 1 -27 18  33 o 14.465  7.1964  0.0688     99.217   133.046    241.518  -26.9283   108.823  ?       ?       14.178  7.1234  0.000000       7.123447 
1 1 1 -27 18  34 o 12.962  6.5144  -53.6281   91.400   287.058    263.526  -100.2149  97.449   ?       ?       12.453  6.3104  0.000000       6.310362 
1 1 1 -27 19  1  o 10.640  5.3047  -89.8608   55.139   -139.3749  78.488   -41.6099   77.480   11.781  5.9357  13.971  6.8359  -2.189796      9.053314 
1 1 1 -27 19  2  o 11.942  5.8846  -64.9266   60.699   47.236     83.271   -192.0896  88.664   17.386  8.0975  11.721  5.9479  5.664828       10.04728 
1 1 1 -27 19  3  o 13.732  6.6105  -23.3014   65.080   17.838     89.759   -68.8983   94.497   16.445  7.8770  14.314  7.1047  2.131542       10.60774 
1 1 1 -27 19  4  o 17.994  8.2990  60.611     84.277   66.879     90.656   20.717     228.698  18.289  8.4951  ?       ?       0.000000       8.495084 
1 1 1 -27 19  5  o 25.295  10.512  221.802    106.370  229.381    118.069  189.143    245.092  24.409  10.632  19.695  9.9835  4.713884       14.58461 
1 1 1 -27 19  6  o 19.365  8.9179  94.505     96.805   184.697    106.340  -341.8383  233.899  23.163  10.090  ?       ?       0.000000       10.08965 
1 1 1 -27 19  7  o 16.389  7.8843  15.600     92.188   70.968     100.615  -274.0079  230.112  18.384  8.6694  ?       ?       0.000000       8.669430 
1 1 1 -27 19  8  o 20.984  8.7687  111.547    74.590   71.917     103.914  153.671    107.133  18.364  8.7049  21.472  9.6901  -3.108274      13.02587 
1 1 1 -27 19  9  o 20.827  8.7255  109.976    74.132   48.849     105.544  169.495    104.147  17.576  8.4508  22.306  9.8418  -4.729694      12.97218 
1 1 1 -27 19  10 o 14.252  6.8992  -20.5855   73.339   -14.2892   108.979  -25.7973   99.151   15.955  7.8663  15.353  7.5565  0.6022120      10.90781 
1 1 1 -27 19  11 o 20.146  8.7150  105.949    78.244   85.190     112.047  125.707    109.313  18.513  8.8495  19.922  9.2786  -1.409536      12.82208 
1 1 1 -27 19  12 o 15.728  7.4640  18.837     76.817   59.741     112.465  -16.9357   105.174  17.674  8.5528  15.633  7.7113  2.041226       11.51583 
1 1 1 -27 19  13 o 17.081  7.8988  52.570     77.093   72.000     110.825  34.351     107.313  17.894  8.6173  16.838  8.1964  1.056789       11.89284 
1 1 1 -27 19  14 o 15.231  7.5122  -19.0821   99.683   -249.5839  203.272  53.901     114.381  ?       ?       17.292  8.4273  0.000000       8.427341 
1 1 1 -27 19  15 o 24.679  10.458  244.133    108.462  31.997     229.557  305.100    123.064  ?       ?       25.822  11.046  0.000000       11.04636 
1 1 1 -27 19  16 o 19.897  10.072  381.998    243.894  381.998    243.894  0.0000     0.0000   19.897  10.072  ?       ?       0.000000       10.07202 
1 1 1 -27 19  17 o 16.563  8.1366  41.414     113.170  41.414     113.170  0.0000     0.0000   16.563  8.1366  ?       ?       0.000000       8.136566 
1 1 1 -27 19  18 o 17.580  8.5831  91.527     120.181  91.527     120.181  0.0000     0.0000   17.580  8.5831  ?       ?       0.000000       8.583085 
1 1 1 -27 19  19 o 19.180  8.6848  119.282    86.906   103.700    126.468  133.223    119.625  17.631  8.6490  18.478  8.9117  -0.8474388     12.41869 
1 1 1 -27 19  20 o 17.909  8.0560  85.837     73.353   90.026     118.439  83.231     93.427   17.260  8.4470  17.342  8.2303  -0.8183861E-01 11.79363 
1 1 1 -27 19  21 o 16.571  7.5899  60.731     68.822   50.023     125.254  65.361     82.370   16.304  8.1070  16.686  7.8614  -0.3827705     11.29272 
1 1 1 -27 19  22 o 12.136  5.9846  -44.7731   63.182   -81.1878   120.855  -31.0773   74.117   14.084  7.1254  13.208  6.5072  0.8761644      9.649597 
1 1 1 -27 19  23 o 10.306  5.2160  -130.7059  65.179   -140.5133  124.954  -127.0398  76.395   ?       ?       11.255  5.6913  0.000000       5.691340 
1 1 1 -27 19  24 f 18.638  8.3552  108.656    78.165   86.486     126.568  122.324    99.381   16.821  8.3267  18.268  8.6153  -1.447668      11.98151 
1 1 1 -27 19  25 o 21.092  8.8737  147.554    77.199   100.468    122.207  178.820    99.585   17.145  8.4291  20.539  9.2990  -3.394165      12.55079 
1 1 1 -27 19  26 o 13.767  6.9826  -102.9097  121.150  49.101     145.646  -444.2920  218.264  16.202  8.1532  ?       ?       0.000000       8.153208 
1 1 1 -27 19  27 o 17.971  8.8091  140.444    130.404  4.0356     157.656  435.931    232.038  15.765  7.9930  19.332  9.7905  -3.567108      12.63891 
1 1 1 -27 19  28 o 13.492  6.7256  -47.4455   88.472   0.0000     0.0000   -47.4455   88.472   ?       ?       13.492  6.7256  0.000000       6.725588 
1 1 1 -27 19  29 o 15.770  7.6755  41.694     94.021   0.0000     0.0000   41.694     94.021   ?       ?       15.770  7.6755  0.000000       7.675510 
1 1 1 -27 19  30 o 12.654  6.3530  -76.9697   85.709   291.909    220.830  -142.3922  92.999   ?       ?       11.974  6.0778  0.000000       6.077849 
1 1 1 -27 19  31 o 19.852  9.3042  202.793    112.786  202.046    252.025  202.980    126.120  ?       ?       19.025  9.1694  0.000000       9.169370 
1 1 1 -27 19  32 o 11.260  5.7047  -123.3755  79.290   -453.3859  245.640  -84.9911   83.775   ?       ?       12.165  6.1296  0.000000       6.129579 
1 1 1 -27 19  33 o 13.211  6.6560  -47.2168   98.629   388.808    260.352  -120.2757  106.572  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 20  1  o 13.134  6.3104  -21.3439   58.600   12.735     98.084   -40.2600   73.075   16.222  7.8827  13.551  6.6324  2.670636       10.30172 
1 1 1 -27 20  2  o 16.194  7.4292  35.310     66.317   14.442     93.351   56.571     94.226   16.159  7.8127  17.554  8.3118  -1.395512      11.40720 
1 1 1 -27 20  3  o 13.767  6.7886  -51.8700   81.286   -37.3457   87.307   -146.4113  222.747  14.477  7.1189  ?       ?       0.000000       7.118939 
1 1 1 -27 20  4  o 12.047  6.0763  -139.9615  83.509   -130.6429  90.432   -193.9290  217.627  12.688  6.3901  ?       ?       0.000000       6.390052 
1 1 1 -27 20  5  o 15.304  7.4902  -15.3201   93.219   -41.9735   101.865  122.006    231.219  15.011  7.4378  18.625  9.4665  -3.614326      12.03889 
1 1 1 -27 20  6  o 17.252  8.2275  48.718     95.680   125.781    104.647  -344.0300  236.245  19.991  9.2297  ?       ?       0.000000       9.229695 
1 1 1 -27 20  7  o 12.426  6.0733  -44.7027   60.649   -18.1040   80.752   -79.1199   91.857   14.626  7.1176  13.704  6.8347  0.9223766      9.867815 
1 1 1 -27 20  8  o 19.055  8.3657  88.473     74.398   35.930     109.145  134.075    101.681  16.951  8.2547  20.315  9.2746  -3.363958      12.41607 
1 1 1 -27 20  9  o 15.025  7.1293  10.043     70.041   10.128     99.858   9.9609     98.266   16.038  7.8287  15.993  7.7978  0.4490089E-01  11.04957 
1 1 1 -27 20  10 o 15.469  7.3377  18.367     74.078   19.789     109.049  17.149     100.945  16.412  8.0470  16.183  7.8932  0.2290592      11.27195 
1 1 1 -27 20  11 o 13.294  6.5366  -44.1034   73.563   47.007     107.571  -124.1454  100.825  16.994  8.2572  13.222  6.6700  3.771505       10.61463 
1 1 1 -27 20  12 o 26.574  11.087  308.617    118.980  296.024    239.665  312.736    137.063  19.361  9.8201  24.215  10.941  -4.853613      14.70168 
1 1 1 -27 20  13 o 23.467  10.336  241.610    114.393  728.045    225.121  72.289     132.818  25.632  12.329  17.437  8.6131  8.195467       15.03924 
1 1 1 -27 20  14 o 19.725  9.2461  150.956    111.454  296.058    222.442  102.317    128.786  19.258  9.7355  17.940  8.7857  1.317223       13.11368 
1 1 1 -27 20  15 o ?       ?       106.929    219.324  106.929    219.324  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 20  16 o 16.417  8.0745  46.314     112.517  46.314     112.517  0.0000     0.0000   16.417  8.0745  ?       ?       0.000000       8.074518 
1 1 1 -27 20  17 o ?       ?       -244.4859  100.584  -244.4859  100.584  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 20  18 o 12.385  6.1734  -66.4239   74.501   -105.1910  108.274  -31.5670   102.669  13.377  6.7652  14.395  7.1869  -1.017868      9.870082 
1 1 1 -27 20  19 o 23.162  9.0443  166.264    73.525   203.049    124.406  146.519    91.146   19.792  9.4232  19.805  8.9377  -0.1228333E-01 12.98768 
1 1 1 -27 20  20 o 14.384  6.8353  18.135     64.854   117.829    124.752  -18.7859   75.918   17.459  8.5699  13.576  6.6681  3.883477       10.85846 
1 1 1 -27 20  21 o 12.753  6.2158  -20.7560   62.250   -104.3573  112.789  15.866     74.650   13.402  6.7914  14.562  7.0273  -1.159973      9.772701 
1 1 1 -27 20  22 o 22.802  9.1861  175.875    78.136   182.958    131.320  171.993    97.217   18.629  9.0681  20.223  9.1689  -1.593512      12.89570 
1 1 1 -27 20  23 o 14.636  7.0207  21.264     71.886   94.009     125.088  -14.6087   87.840   16.807  8.3126  14.068  6.9593  2.739112       10.84112 
1 1 1 -27 20  24 o 12.717  6.2600  -32.5252   68.124   13.232     123.082  -52.7339   81.796   15.348  7.6932  12.951  6.4576  2.397703       10.04420 
1 1 1 -27 20  25 o 13.882  7.0254  -79.9612   118.101  -116.3747  142.477  -0.0012    211.130  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 20  26 o 17.987  8.8251  151.520    131.824  234.341    157.561  -41.7208   240.673  18.828  9.3150  ?       ?       0.000000       9.314993 
1 1 1 -27 20  27 o 17.505  8.1567  92.895     84.633   226.700    141.557  18.458     105.582  19.268  9.3869  15.262  7.5640  4.006024       12.05523 
1 1 1 -27 20  28 o 16.584  8.0022  75.429     96.761   0.0000     0.0000   75.429     96.761   ?       ?       16.584  8.0022  0.000000       8.002239 
1 1 1 -27 20  29 o 14.365  7.1128  -2.6505    92.571   0.0000     0.0000   -2.6505    92.571   ?       ?       14.365  7.1128  0.000000       7.112849 
1 1 1 -27 20  30 f 16.470  7.9775  85.057     98.362   133.682    254.316  76.503     106.662  ?       ?       16.158  7.9298  0.000000       7.929835 
1 1 1 -27 20  31 o 19.982  9.2813  217.779    108.203  34.341     271.428  252.438    117.983  ?       ?       20.296  9.5135  0.000000       9.513515 
1 1 1 -27 20  32 o 12.076  6.1292  -104.7780  94.423   16.056     249.941  -124.8943  101.980  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 21  1  f ?       ?       -197.2694  112.009  -190.6859  123.129  -228.8594  269.716  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 21  2  o 16.209  8.0159  7.5810     116.208  14.308     127.308  -26.0270   284.560  16.529  8.2113  ?       ?       0.000000       8.211345 
1 1 1 -27 21  3  o 23.978  10.508  248.039    116.892  225.179    128.303  359.677    283.534  21.986  10.175  ?       ?       0.000000       10.17514 
1 1 1 -27 21  4  o 23.078  10.126  212.373    108.832  178.415    120.594  361.422    252.652  20.783  9.7014  19.910  10.097  0.8726311      14.00232 
1 1 1 -27 21  5  o 17.459  7.8253  63.615     68.531   72.860     93.987   53.120     100.142  17.743  8.3709  17.092  8.2212  0.6515293      11.73289 
1 1 1 -27 21  6  o 18.411  8.2064  82.508     74.268   26.514     109.902  129.568    100.754  16.455  8.0704  19.764  9.1003  -3.308395      12.16337 
1 1 1 -27 21  7  o 15.717  7.3714  29.837     71.015   42.024     101.958  18.355     98.968   16.702  8.0978  16.009  7.8100  0.6937466      11.25034 
1 1 1 -27 21  8  o 15.565  7.3466  26.297     72.546   3.5363     106.160  46.238     99.367   15.754  7.7666  16.740  8.0855  -0.9862165     11.21144 
1 1 1 -27 21  9  f 17.219  7.8578  63.222     72.885   133.381    103.534  -5.7073    102.623  19.555  9.0817  15.398  7.5995  4.157295       11.84186 
1 1 1 -27 21  10 o 25.239  9.7415  202.565    84.537   278.515    113.689  108.636    126.431  25.238  10.701  18.138  8.8439  7.100307       13.88274 
1 1 1 -27 21  11 o 20.842  9.4782  172.889    104.890  325.210    228.330  132.148    118.087  19.307  9.7707  18.789  9.0089  0.5185566      13.29010 
1 1 1 -27 21  12 o 18.012  8.5958  100.890    104.820  235.080    211.586  57.244     120.669  18.533  9.3818  16.780  8.2740  1.753098       12.50913 
1 1 1 -27 21  13 o 19.061  9.0048  141.434    109.444  213.117    217.604  117.161    126.625  18.083  9.1901  17.936  8.7683  0.1466770      12.70196 
1 1 1 -27 21  14 o 18.777  8.4698  108.823    81.738   162.297    114.768  53.779     116.439  19.348  9.1645  16.453  8.1154  2.894968       12.24121 
1 1 1 -27 21  15 o 24.267  10.731  319.364    124.484  319.364    124.484  0.0000     0.0000   24.267  10.731  ?       ?       0.000000       10.73063 
1 1 1 -27 21  16 f 17.073  8.3491  91.736     115.071  91.736     115.071  0.0000     0.0000   17.073  8.3491  ?       ?       0.000000       8.349150 
1 1 1 -27 21  17 o 10.927  5.5391  -140.9573  75.494   -102.8095  105.022  -181.7464  108.597  13.150  6.6514  ?       ?       0.000000       6.651427 
1 1 1 -27 21  18 o 12.999  6.3959  -27.9361   70.819   -33.2213   110.665  -24.2706   92.162   14.357  7.2095  13.995  6.9581  0.3619099      10.01962 
1 1 1 -27 21  19 o 14.116  6.6840  17.892     60.935   61.899     110.577  -1.2995    73.023   16.127  7.9460  13.858  6.7493  2.269410       10.42556 
1 1 1 -27 21  20 o 10.825  5.4402  -93.3953   63.676   -42.3862   122.979  -112.0799  74.430   14.409  7.2803  11.271  5.6911  3.137945       9.240773 
1 1 1 -27 21  21 o 25.598  9.6851  226.155    82.480   265.894    142.855  206.284    101.018  19.753  9.5787  21.161  9.4915  -1.408493      13.48485 
1 1 1 -27 21  22 o 12.536  6.1767  -33.4636   66.841   42.711     132.867  -59.2733   77.340   15.735  7.9015  12.491  6.2367  3.243759       10.06625 
1 1 1 -27 21  23 o 13.613  6.6555  -7.8809    73.010   86.700     134.869  -47.0879   86.834   16.449  8.2160  13.221  6.6022  3.227313       10.54000 
1 1 1 -27 21  24 o 16.549  8.2266  88.643     128.579  149.119    154.663  -46.6890   231.364  17.247  8.6416  ?       ?       0.000000       8.641590 
1 1 1 -27 21  25 o 19.663  9.4701  235.848    133.926  189.288    160.221  343.815    243.984  17.789  8.8959  ?       ?       0.000000       8.895885 
1 1 1 -27 21  26 f 14.392  6.9603  14.779     74.196   63.183     135.961  -5.7501    88.543   16.095  8.0700  14.224  7.0273  1.871059       10.70082 
1 1 1 -27 21  27 o 14.081  6.9512  -5.8484    86.020   0.0000     0.0000   -5.8484    86.020   ?       ?       14.081  6.9512  0.000000       6.951158 
1 1 1 -27 21  28 o 15.389  7.5162  44.861     92.393   0.0000     0.0000   44.861     92.393   ?       ?       15.389  7.5162  0.000000       7.516174 
1 1 1 -27 21  29 o 13.769  6.8562  -14.2518   90.898   84.912     241.025  -30.6940   98.144   ?       ?       13.649  6.8451  0.000000       6.845066 
1 1 1 -27 21  30 o 17.395  8.3482  139.091    101.900  109.017    245.262  145.366    112.026  ?       ?       17.169  8.3611  0.000000       8.361149 
1 1 1 -27 21  31 o 15.770  7.7129  92.645     98.301   19.210     245.060  106.727    107.313  ?       ?       15.935  7.8465  0.000000       7.846505 
1 1 1 -27 22  1  o 15.859  7.9141  0.2369     123.901  33.045     135.577  -165.9932  305.176  16.565  8.2683  ?       ?       0.000000       8.268267 
1 1 1 -27 22  2  o 15.363  7.6708  -20.2780   117.087  -87.5478   127.992  324.810    289.892  14.618  7.3896  ?       ?       0.000000       7.389570 
1 1 1 -27 22  3  o 26.105  9.8807  217.779    85.868   237.602    130.189  202.516    114.240  21.546  10.065  21.454  9.8086  0.9246254E-01  14.05416 
1 1 1 -27 22  4  o 16.163  7.5952  42.980     76.007   -111.4705  109.391  187.142    105.685  13.606  6.8738  21.454  9.6585  -7.847866      11.85475 
1 1 1 -27 22  5  o 18.119  8.1929  85.377     77.016   107.377    115.830  67.943     103.111  18.133  8.7510  17.136  8.2666  0.9969521      12.03819 
1 1 1 -27 22  6  o 16.298  7.6526  47.341     76.912   -10.7097   119.494  88.400     100.496  15.506  7.7433  17.744  8.4539  -2.238458      11.46417 
1 1 1 -27 22  7  o 18.248  8.2218  89.578     76.770   142.937    112.753  43.464     104.819  19.149  9.0743  16.379  8.0009  2.770361       12.09781 
1 1 1 -27 22  8  o 15.057  7.1796  20.796     72.795   -23.2174   103.986  63.095     101.940  14.798  7.3631  16.832  8.1448  -2.033582      10.97962 
1 1 1 -27 22  9  o 16.864  8.0730  66.366     93.977   -107.7416  200.109  115.631    106.445  ?       ?       18.277  8.7059  0.000000       8.705880 
1 1 1 -27 22  10 o 14.668  7.2663  -14.0273   97.021   -277.4348  209.502  57.888     109.468  ?       ?       16.537  8.0988  0.000000       8.098831 
1 1 1 -27 22  11 f 17.039  8.1854  78.644     98.507   85.343     222.919  77.019     109.811  ?       ?       16.911  8.2450  0.000000       8.244952 
1 1 1 -27 22  12 o 15.241  7.5195  14.705     100.191  -201.5968  206.745  81.094     114.539  ?       ?       16.870  8.2667  0.000000       8.266664 
1 1 1 -27 22  13 o 15.170  7.2838  29.824     77.783   126.753    110.181  -66.4783   109.824  18.025  8.6582  13.890  7.0010  4.135064       11.13459 
1 1 1 -27 22  14 o 15.607  7.7528  31.917     113.372  31.917     113.372  0.0000     0.0000   15.607  7.7528  ?       ?       0.000000       7.752768 
1 1 1 -27 22  15 o 13.612  6.8707  -72.3734   107.878  -72.3734   107.878  0.0000     0.0000   13.612  6.8707  ?       ?       0.000000       6.870721 
1 1 1 -27 22  16 o 18.941  9.0915  186.842    120.983  186.842    120.983  0.0000     0.0000   18.941  9.0915  ?       ?       0.000000       9.091513 
1 1 1 -27 22  17 o 12.844  6.3871  -43.4650   77.811   -96.8467   110.078  9.8473     110.006  13.237  6.7080  14.925  7.4497  -1.687901      10.02470 
1 1 1 -27 22  18 o 22.898  9.1480  180.323    76.782   229.372    123.065  149.060    98.250   19.862  9.4318  18.761  8.7572  1.101107       12.87043 
1 1 1 -27 22  19 o 20.090  8.7552  147.476    80.157   162.344    129.640  138.274    101.989  17.765  8.7231  18.128  8.6020  -0.3633709     12.25103 
1 1 1 -27 22  20 o 19.741  8.6422  139.873    78.892   109.558    129.106  157.939    99.664   16.693  8.2888  18.936  8.8326  -2.242805      12.11279 
1 1 1 -27 22  21 o 18.061  8.1358  104.882    75.119   -6.7011    130.121  160.661    91.998   14.852  7.5024  19.625  8.9062  -4.773127      11.64497 
1 1 1 -27 22  22 o 14.242  7.1840  -35.0829   116.904  9.1958     146.410  -112.9705  194.181  15.230  7.7198  ?       ?       0.000000       7.719817 
1 1 1 -27 22  23 o 18.083  8.7942  163.688    122.749  105.015    144.460  316.083    232.814  16.536  8.2949  ?       ?       0.000000       8.294899 
1 1 1 -27 22  24 f ?       ?       -254.7490  104.087  -208.5408  122.218  -376.7622  198.600  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 22  25 o ?       ?       -154.8034  62.190   88.418     120.041  -244.0330  72.708   16.401  8.1172  ?       ?       0.000000       8.117155 
1 1 1 -27 22  26 f 16.759  7.9481  88.309     86.857   0.0000     0.0000   88.309     86.857   ?       ?       16.759  7.9481  0.000000       7.948140 
1 1 1 -27 22  27 o 14.158  6.9732  8.7513     84.927   0.0000     0.0000   8.7513     84.927   ?       ?       14.158  6.9732  0.000000       6.973177 
1 1 1 -27 22  28 o 13.574  6.7344  -8.0814    84.503   -348.6090  341.461  14.135     87.216   ?       ?       14.169  6.9954  0.000000       6.995415 
1 1 1 -27 22  29 o 18.078  8.5458  164.365    98.848   261.368    264.193  148.575    106.590  ?       ?       17.163  8.3109  0.000000       8.310885 
1 1 1 -27 22  30 f 16.509  8.0238  134.390    101.753  147.019    266.674  132.238    110.081  ?       ?       16.171  7.9599  0.000000       7.959909 
1 1 1 -27 23  1  f 12.931  6.2479  -15.2728   59.451   -162.6747  106.209  51.987     71.744   12.563  6.3883  16.213  7.5396  -3.650018      9.882062 
1 1 1 -27 23  2  o 12.794  6.2794  -33.9563   66.944   -184.4274  110.508  53.274     84.140   ?       ?       16.306  7.7597  0.000000       7.759711 
1 1 1 -27 23  3  o 15.567  7.3900  36.168     75.423   70.005     115.019  10.642     99.900   16.786  8.2372  15.273  7.5304  1.512555       11.16054 
1 1 1 -27 23  4  o 16.809  7.9354  67.587     84.726   63.531     143.461  69.759     104.991  16.624  8.3286  16.781  8.1546  -0.1569672     11.65606 
1 1 1 -27 23  5  o 14.468  7.0055  6.5201     75.720   -4.9665    125.674  13.066     94.874   15.384  7.7197  15.180  7.4559  0.2037868      10.73238 
1 1 1 -27 23  6  o 14.962  7.1663  22.917     74.280   27.527     108.345  18.829     102.034  15.698  7.7588  15.414  7.6019  0.2839355      10.86221 
1 1 1 -27 23  7  o 19.690  9.1788  169.004    107.367  -6.1794    224.648  220.867    122.231  ?       ?       20.517  9.6382  0.000000       9.638161 
1 1 1 -27 23  8  o 12.363  6.2150  -89.9137   83.427   -156.3920  187.294  -73.4591   93.181   ?       ?       13.161  6.6097  0.000000       6.609705 
1 1 1 -27 23  9  o 19.342  9.0842  167.256    108.492  196.611    223.709  158.228    124.057  ?       ?       18.382  8.9167  0.000000       8.916737 
1 1 1 -27 23  10 o 18.789  8.8919  153.194    107.554  159.307    214.453  151.139    124.320  ?       ?       18.088  8.8087  0.000000       8.808655 
1 1 1 -27 23  11 o 11.233  5.6465  -93.9046   68.845   -108.5964  98.003   -79.5917   96.731   12.672  6.4114  13.071  6.5862  -0.3992281     9.191582 
1 1 1 -27 23  12 o 16.766  7.7983  76.389     76.812   13.750     109.056  138.056    108.206  15.035  7.4903  18.053  8.6474  -3.017952      11.44032 
1 1 1 -27 23  13 o 14.055  6.8329  7.2464     73.912   30.698     104.153  -16.5454   104.905  15.255  7.5520  14.330  7.1707  0.9253988      10.41399 
1 1 1 -27 23  14 o 13.211  6.6856  -86.8890   106.946  -86.8890   106.946  0.0000     0.0000   13.211  6.6856  ?       ?       0.000000       6.685639 
1 1 1 -27 23  15 o 14.275  7.1757  -21.2201   111.125  -21.2201   111.125  0.0000     0.0000   14.275  7.1757  ?       ?       0.000000       7.175735 
1 1 1 -27 23  16 o 16.989  7.9209  89.622     80.008   163.807    116.991  24.440     109.662  18.072  8.7398  15.016  7.4856  3.056330       11.50731 
1 1 1 -27 23  17 o 16.464  7.6731  75.321     74.957   46.183     216.791  79.277     79.884   ?       ?       16.521  7.7708  0.000000       7.770774 
1 1 1 -27 23  18 o 15.832  7.3408  59.426     67.248   -66.6599   122.576  113.717    80.433   13.805  7.0044  17.999  8.2295  -4.193580      10.80679 
1 1 1 -27 23  19 o 13.135  6.3495  -1.0248    61.588   68.755     120.374  -25.7687   71.681   15.818  7.8788  12.841  6.3403  2.976620       10.11305 
1 1 1 -27 23  20 o 11.451  5.7345  -72.8089   67.668   90.479     119.450  -149.9736  82.114   16.256  8.0546  11.038  5.6134  5.217407       9.817674 
1 1 1 -27 23  21 o ?       ?       -264.2850  103.594  -291.1432  110.266  -62.2683   302.410  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 23  22 o 15.867  7.9050  67.331     121.494  140.122    136.824  -203.9899  264.159  17.009  8.4602  ?       ?       0.000000       8.460178 
1 1 1 -27 23  23 o 16.432  8.1620  100.937    125.587  154.793    154.787  -2.8157    214.843  16.902  8.4925  ?       ?       0.000000       8.492536 
1 1 1 -27 23  24 o 16.037  7.4698  65.186     70.887   -15.8450   136.141  95.325     83.030   14.644  7.4250  17.038  7.9847  -2.394203      10.90346 
1 1 1 -27 23  25 o 19.087  8.7652  160.559    92.629   0.0000     0.0000   160.559    92.629   ?       ?       19.087  8.7652  0.000000       8.765242 
1 1 1 -27 23  26 o 15.357  7.4978  58.707     91.709   0.0000     0.0000   58.707     91.709   ?       ?       15.357  7.4978  0.000000       7.497814 
1 1 1 -27 23  27 f 14.100  7.0063  15.450     92.865   534.103    346.971  -24.5707   96.382   ?       ?       13.386  6.7230  0.000000       6.722987 
1 1 1 -27 23  28 o 13.438  6.6771  2.6995     84.358   295.733    231.994  -41.9492   90.557   ?       ?       12.718  6.4039  0.000000       6.403897 
1 1 1 -27 23  29 o 18.488  8.7437  215.434    103.704  632.737    274.962  146.231    111.973  ?       ?       16.100  7.9445  0.000000       7.944538 
1 1 1 -27 24  1  o 16.481  7.4953  63.500     65.607   28.733     112.348  81.490     80.818   15.502  7.7035  17.058  7.9557  -1.555575      11.07415 
1 1 1 -27 24  2  o 18.402  7.9961  95.885     66.457   41.631     109.055  127.935    83.819   15.736  7.7787  19.093  8.5978  -3.356956      11.59439 
1 1 1 -27 24  3  o 15.519  7.3948  43.133     76.957   14.290     116.475  65.480     102.523  15.258  7.6234  16.270  7.9401  -1.011973      11.00737 
1 1 1 -27 24  4  f 15.713  7.4886  48.585     78.996   -41.8876   123.775  110.765    102.613  14.481  7.3151  17.526  8.4020  -3.045472      11.14022 
1 1 1 -27 24  5  o 18.630  8.8669  156.111    109.964  352.410    259.224  113.036    121.431  ?       ?       17.146  8.4242  0.000000       8.424183 
1 1 1 -27 24  6  o 18.542  8.8392  155.680    110.198  134.907    261.965  160.146    121.468  ?       ?       18.206  8.8297  0.000000       8.829695 
1 1 1 -27 24  7  o 16.060  7.8583  63.661     102.404  -384.9066  245.369  158.271    112.687  ?       ?       18.431  8.8276  0.000000       8.827649 
1 1 1 -27 24  8  o 17.709  8.4921  127.020    104.982  220.082    209.556  95.838     121.302  ?       ?       16.594  8.2029  0.000000       8.202950 
1 1 1 -27 24  9  o 15.686  7.4186  53.809     74.654   -38.6171   105.675  145.888    105.478  13.908  6.9920  18.202  8.6691  -4.293949      11.13740 
1 1 1 -27 24  10 o 15.124  7.2241  40.760     74.366   -62.7922   105.274  143.903    105.066  13.467  6.7961  18.072  8.6193  -4.604555      10.97631 
1 1 1 -27 24  11 o 17.487  8.0192  98.436     77.146   30.016     108.879  167.419    109.325  15.103  7.5178  18.520  8.8220  -3.417377      11.59073 
1 1 1 -27 24  12 o 15.493  7.3734  53.077     76.015   63.369     107.467  42.772     107.535  15.732  7.7668  15.293  7.5887  0.4395313      10.85874 
1 1 1 -27 24  13 o 13.932  6.9916  -23.0820   103.212  -23.0820   103.212  0.0000     0.0000   13.932  6.9916  ?       ?       0.000000       6.991600 
1 1 1 -27 24  14 f 15.837  7.8271  73.371     110.189  73.371     110.189  0.0000     0.0000   15.837  7.8271  ?       ?       0.000000       7.827064 
1 1 1 -27 24  15 o 11.286  5.7077  -109.9386  77.121   -44.9213   109.745  -173.3711  108.399  13.686  6.9107  ?       ?       0.000000       6.910736 
1 1 1 -27 24  16 o 19.767  9.1339  198.990    102.791  80.487     286.226  216.537    110.138  ?       ?       19.767  9.2420  0.000000       9.241966 
1 1 1 -27 24  17 o 16.138  7.2112  64.302     57.724   30.984     118.967  74.561     66.016   14.988  7.5197  16.476  7.5029  -1.487372      10.62262 
1 1 1 -27 24  18 o 19.374  8.1626  119.279    65.474   52.630     116.164  150.311    79.263   15.354  7.6622  19.824  8.6710  -4.470740      11.57131 
1 1 1 -27 24  19 f 13.798  6.5922  17.928     62.014   -33.7041   119.264  37.061     72.600   14.044  7.1022  14.757  7.0727  -0.7135057     10.02319 
1 1 1 -27 24  20 o 17.783  8.7455  187.128    131.912  278.938    143.746  -302.6011  331.993  19.181  9.3695  ?       ?       0.000000       9.369473 
1 1 1 -27 24  21 o 13.928  7.0545  -47.2810   120.721  -79.7036   132.502  111.106    292.859  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 24  22 o 13.292  6.4977  -3.8704    69.512   133.175    123.490  -67.4342   84.101   16.858  8.3233  12.420  6.2429  4.438663       10.40436 
1 1 1 -27 24  23 o 16.107  7.5666  73.493     75.337   158.959    127.643  27.806     93.325   17.159  8.4700  14.646  7.2319  2.513162       11.13736 
1 1 1 -27 24  24 o 14.319  6.9328  29.045     74.112   104.952    150.391  4.6986     85.172   15.775  7.9773  13.846  6.8501  1.928133       10.51485 
1 1 1 -27 24  25 o 14.425  7.1131  32.030     89.199   0.0000     0.0000   32.030     89.199   ?       ?       14.425  7.1131  0.000000       7.113097 
1 1 1 -27 24  26 o 16.649  8.0607  131.115    100.183  0.0000     0.0000   131.115    100.183  ?       ?       16.649  8.0607  0.000000       8.060680 
1 1 1 -27 24  27 o 15.229  7.4386  83.113     90.553   49.904     348.974  85.511     93.765   ?       ?       15.235  7.4683  0.000000       7.468284 
1 1 1 -27 25  1  o 13.956  6.6599  17.322     62.900   91.659     107.786  -21.0668   77.457   16.498  8.0704  13.273  6.5604  3.224316       10.40053 
1 1 1 -27 25  2  o 12.593  6.1635  -20.2522   63.114   -33.0636   113.479  -14.5142   75.944   14.115  7.1148  13.379  6.5904  0.7362423      9.698115 
1 1 1 -27 25  3  f 15.440  7.6123  47.520     102.061  379.158    236.371  -28.4769   113.152  ?       ?       14.163  7.1348  0.000000       7.134795 
1 1 1 -27 25  4  o 16.202  7.9064  79.485     101.623  -194.0836  249.651  133.817    111.258  ?       ?       17.437  8.4553  0.000000       8.455281 
1 1 1 -27 25  5  o 14.277  7.1255  -4.0983    100.551  250.899    234.938  -61.2829   111.256  ?       ?       13.590  6.8717  0.000000       6.871685 
1 1 1 -27 25  6  o 12.472  6.3072  -94.3029   94.001   -157.3633  230.241  -81.6889   102.975  ?       ?       13.013  6.5827  0.000000       6.582653 
1 1 1 -27 25  7  o 12.090  6.0345  -55.4414   72.213   -105.5194  108.664  -15.8334   96.639   12.860  6.5318  13.899  6.9443  -1.039010      9.533499 
1 1 1 -27 25  8  o 13.812  6.7174  9.6999     71.646   47.891     107.553  -20.7687   96.065   15.289  7.5872  13.755  6.8800  1.534089       10.24207 
1 1 1 -27 25  9  f 13.503  6.5901  1.9951     70.641   -29.3189   105.037  27.855     95.452   13.794  6.9390  14.730  7.2808  -0.9364214     10.05782 
1 1 1 -27 25  10 o 15.534  7.3857  59.063     75.914   32.173     107.587  85.724     107.131  14.885  7.4197  16.017  7.8779  -1.131680      10.82190 
1 1 1 -27 25  11 o 12.121  6.0478  -50.1752   72.219   54.038     102.353  -153.4979  101.914  15.280  7.5501  ?       ?       0.000000       7.550091 
1 1 1 -27 25  12 o 14.437  7.1836  17.218     99.010   21.642     106.675  -10.2895   265.993  14.613  7.3004  ?       ?       0.000000       7.300422 
1 1 1 -27 25  13 o 12.736  6.4539  -86.1107   101.891  -86.1107   101.891  0.0000     0.0000   12.736  6.4539  ?       ?       0.000000       6.453905 
1 1 1 -27 25  14 o 18.137  8.7626  188.971    116.904  188.971    116.904  0.0000     0.0000   18.137  8.7626  ?       ?       0.000000       8.762581 
1 1 1 -27 25  15 o 14.068  6.8879  17.419     79.051   54.032     250.338  13.364     83.314   ?       ?       14.043  6.9148  0.000000       6.914752 
1 1 1 -27 25  16 o 30.917  9.6432  293.065    80.187   206.483    133.560  341.865    100.270  17.762  8.7478  27.839  10.643  -10.07668      13.77704 
1 1 1 -27 25  17 o 15.438  6.9885  54.766     56.219   -37.1311   118.336  81.553     63.889   13.832  7.0035  16.792  7.5388  -2.959586      10.28996 
1 1 1 -27 25  18 o 17.570  8.6659  192.192    132.688  251.277    143.217  -165.9177  352.583  18.299  9.0212  ?       ?       0.000000       9.021204 
1 1 1 -27 25  19 o 16.327  8.0865  111.823    119.950  107.350    128.933  140.606    327.073  16.117  8.0476  ?       ?       0.000000       8.047647 
1 1 1 -27 25  20 o 15.447  7.7493  67.391     126.249  76.134     136.724  16.800     328.878  15.545  7.8325  ?       ?       0.000000       7.832483 
1 1 1 -27 25  21 o 13.161  6.4147  0.1950     66.326   39.986     122.955  -16.1362   78.770   14.956  7.5217  13.159  6.5237  1.797352       9.956685 
1 1 1 -27 25  22 o 9.4235  4.7634  -103.1079  53.119   -32.1579   108.515  -125.4666  60.917   13.592  6.8641  9.7108  4.9281  3.881100       8.449924 
1 1 1 -27 25  23 o 15.991  7.4217  76.030     68.980   -92.1756   119.097  160.943    84.619   ?       ?       19.081  8.6114  0.000000       8.611374 
1 1 1 -27 25  24 o 15.445  7.5495  82.458     93.774   0.0000     0.0000   82.458     93.774   ?       ?       15.445  7.5495  0.000000       7.549544 
1 1 1 -27 25  25 o 11.698  5.9020  -66.6166   79.114   0.0000     0.0000   -66.6166   79.114   ?       ?       11.698  5.9020  0.000000       5.901969 
1 1 1 -27 25  26 o 13.527  6.6938  26.790     81.528   -187.1002  341.368  39.728     83.957   ?       ?       13.862  6.8474  0.000000       6.847378 
1 1 1 -27 26  1  o 14.586  7.0653  33.103     77.186   193.651    197.160  4.0429     83.881   ?       ?       13.887  6.8568  0.000000       6.856779 
1 1 1 -27 26  2  o 15.921  7.4988  69.599     74.852   103.158    190.033  63.436     81.436   ?       ?       15.602  7.4810  0.000000       7.481000 
1 1 1 -27 26  3  o 13.982  6.9351  3.7890     89.406   177.566    213.549  -33.1453   98.450   ?       ?       13.474  6.7704  0.000000       6.770436 
1 1 1 -27 26  4  o 18.213  8.6418  163.487    102.909  114.231    245.357  174.002    113.363  ?       ?       17.957  8.6641  0.000000       8.664095 
1 1 1 -27 26  5  o 13.908  6.9373  -3.2376    94.756   0.0000     0.0000   -3.2376    94.756   ?       ?       13.908  6.9373  0.000000       6.937327 
1 1 1 -27 26  6  o 13.059  6.4785  -19.3277   78.199   38.374     116.326  -66.9039   105.627  14.900  7.4699  13.091  6.6272  1.808613       9.985979 
1 1 1 -27 26  7  o 14.568  7.0922  35.356     80.412   50.384     120.975  23.460     107.630  15.077  7.5669  14.552  7.2790  0.5258102      10.49957 
1 1 1 -27 26  8  o 13.639  6.7041  5.9680     77.203   64.960     110.924  -49.4583   107.519  15.315  7.6175  13.348  6.7499  1.966283       10.17778 
1 1 1 -27 26  9  o 12.355  6.1230  -29.8139   69.170   -69.1933   101.934  3.7945     94.169   12.887  6.5225  13.942  6.9484  -1.055042      9.530087 
1 1 1 -27 26  10 o 16.740  7.8183  96.980     78.481   50.539     110.964  143.463    111.014  14.987  7.4809  16.997  8.2878  -2.010102      11.16474 
1 1 1 -27 26  11 o 18.056  8.1408  121.093    75.412   152.343    106.327  89.460     106.975  17.394  8.3922  15.778  7.7819  1.616256       11.44494 
1 1 1 -27 26  12 o 19.595  9.3092  258.442    120.120  258.442    120.120  0.0000     0.0000   19.595  9.3092  ?       ?       0.000000       9.309170 
1 1 1 -27 26  13 o 18.660  8.9715  223.810    118.935  223.810    118.935  0.0000     0.0000   18.660  8.9715  ?       ?       0.000000       8.971462 
1 1 1 -27 26  14 o 13.116  6.4614  -6.0533    73.031   88.657     106.269  -90.8142   100.533  15.747  7.7646  12.493  6.3391  3.253727       10.02366 
1 1 1 -27 26  15 o 13.517  6.5276  14.930     64.699   -28.6377   109.670  38.187     80.128   13.636  6.8879  14.553  7.0840  -0.9177437     9.880579 
1 1 1 -27 26  16 o 13.500  6.3834  20.967     55.227   -187.0169  116.199  81.657     62.769   ?       ?       16.689  7.4839  0.000000       7.483916 
1 1 1 -27 26  17 o 16.759  8.3297  160.322    131.635  258.904    143.157  -379.2258  334.910  18.172  8.9700  ?       ?       0.000000       8.969952 
1 1 1 -27 26  18 o ?       ?       -180.2216  115.388  -217.3389  124.223  53.228     311.539  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 26  19 o 13.407  6.7891  -46.9060   111.363  -47.1069   118.699  -45.4296   321.755  13.559  6.8808  ?       ?       0.000000       6.880836 
1 1 1 -27 26  20 o 14.961  6.6392  48.774     48.066   -264.7007  116.173  113.520    52.797   ?       ?       20.170  7.7205  0.000000       7.720457 
1 1 1 -27 26  21 f 20.254  8.5138  153.570    70.960   215.131    121.659  121.827    87.360   17.901  8.7167  17.005  8.0372  0.8953972      11.85654 
1 1 1 -27 26  22 o 17.249  7.8081  108.148    70.181   74.053     118.340  126.645    87.163   14.940  7.4959  16.972  8.0235  -2.032218      10.98026 
1 1 1 -27 26  23 o 13.992  6.8331  37.480     76.301   0.0000     0.0000   37.480     76.301   ?       ?       13.992  6.8331  0.000000       6.833108 
1 1 1 -27 26  24 o 12.880  6.3694  6.5560     73.389   0.0000     0.0000   6.5560     73.389   ?       ?       12.880  6.3694  0.000000       6.369446 
1 1 1 -27 26  25 o 14.887  7.2694  91.334     86.296   -143.9675  337.933  107.749    89.255   ?       ?       15.260  7.4386  0.000000       7.438641 
1 1 1 -27 27  1  o 15.889  7.5722  79.904     80.741   253.938    191.370  42.215     89.055   ?       ?       14.668  7.2080  0.000000       7.208015 
1 1 1 -27 27  2  o 10.538  5.2953  -78.8051   60.218   -124.7501  178.921  -72.9358   63.949   ?       ?       10.944  5.4938  0.000000       5.493815 
1 1 1 -27 27  3  o 10.823  5.4112  -63.0297   59.182   -97.6820   106.790  -47.6694   71.099   12.569  6.3928  11.944  5.9658  0.6252041      8.744117 
1 1 1 -27 27  4  o 13.157  6.5374  -12.1253   80.829   106.666    126.017  -95.1598   105.357  15.739  7.8736  12.545  6.3774  3.194700       10.13231 
1 1 1 -27 27  5  o 13.591  6.6743  10.532     75.954   44.767     119.591  -12.6146   98.333   14.755  7.4205  13.575  6.8141  1.180675       10.07448 
1 1 1 -27 27  6  o 12.307  6.1609  -44.4056   77.788   -90.0571   115.875  -6.9550    104.952  ?       ?       13.780  6.9325  0.000000       6.932505 
1 1 1 -27 27  7  f 12.205  6.1115  -46.6521   76.785   -223.5943  116.132  90.783     102.350  ?       ?       15.692  7.7146  0.000000       7.714557 
1 1 1 -27 27  8  o 26.750  10.142  300.567    90.564   461.414    135.235  169.773    121.948  24.157  10.896  16.928  8.3411  7.229139       13.72191 
1 1 1 -27 27  9  o 19.216  9.0779  232.285    111.216  482.591    256.316  174.229    123.442  ?       ?       16.943  8.3570  0.000000       8.356996 
1 1 1 -27 27  10 o 13.826  6.9094  6.6431     95.944   118.599    215.695  -20.9727   107.126  ?       ?       13.548  6.8393  0.000000       6.839274 
1 1 1 -27 27  11 o 17.084  8.3449  164.686    113.975  164.686    113.975  0.0000     0.0000   17.084  8.3449  ?       ?       0.000000       8.344901 
1 1 1 -27 27  12 o 15.872  7.8368  106.143    109.514  106.143    109.514  0.0000     0.0000   15.872  7.8368  ?       ?       0.000000       7.836781 
1 1 1 -27 27  13 o 16.883  8.2605  154.325    113.091  154.325    113.091  0.0000     0.0000   16.883  8.2605  ?       ?       0.000000       8.260459 
1 1 1 -27 27  14 o 10.442  5.2890  -111.1384  67.919   -69.7467   100.071  -146.4894  92.481   12.675  6.4201  ?       ?       0.000000       6.420113 
1 1 1 -27 27  15 f 15.630  7.7671  94.983     114.245  96.784     119.404  75.486     392.945  15.601  7.7828  ?       ?       0.000000       7.782846 
1 1 1 -27 27  16 o ?       ?       -109.6951  113.888  -107.7384  119.286  -129.8592  382.925  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 27  17 o 14.834  7.4799  54.541     126.027  49.697     136.422  82.741     329.171  14.775  7.4850  ?       ?       0.000000       7.484978 
1 1 1 -27 27  18 f 18.158  7.9953  118.204    68.391   107.041    119.235  123.677    83.491   15.644  7.7998  17.241  8.0563  -1.597807      11.21344 
1 1 1 -27 27  19 o 12.467  6.0999  -5.6124    61.659   -9.4261    119.646  -4.2333    71.949   13.756  6.9733  12.895  6.3639  0.8618021      9.440647 
1 1 1 -27 27  20 o 13.142  6.3844  14.479     64.216   -37.6226   112.953  39.361     78.058   13.178  6.6900  14.137  6.9056  -0.9593010     9.614776 
1 1 1 -27 27  21 o ?       ?       -145.3686  61.117   -35.1803   295.034  -150.3090  62.472   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 27  22 o 14.690  7.1387  71.131     80.478   0.0000     0.0000   71.131     80.478   ?       ?       14.690  7.1387  0.000000       7.138728 
1 1 1 -27 27  23 o 11.766  5.8745  -23.6354   68.597   0.0000     0.0000   -23.6354   68.597   ?       ?       11.766  5.8745  0.000000       5.874454 
1 1 1 -27 28  1  o 13.453  6.5932  13.399     72.926   216.791    152.520  -46.8814   83.033   16.560  8.3347  12.362  6.2127  4.197506       10.39542 
1 1 1 -27 28  2  o 14.708  6.9386  50.797     64.554   59.482     112.213  46.501     78.921   14.781  7.3992  14.515  7.0573  0.2655725      10.22520 
1 1 1 -27 28  3  o 10.940  5.4692  -57.5219   60.382   -0.3466    108.314  -83.3021   72.732   13.762  6.9385  11.177  5.6415  2.584526       8.942566 
1 1 1 -27 28  4  o 17.870  8.1364  130.764    77.588   32.040     119.869  201.949    101.786  14.331  7.2347  18.720  8.7942  -4.388246      11.38769 
1 1 1 -27 28  5  o 16.017  7.6475  94.943     83.163   -24.5466   122.752  196.317    113.064  13.609  6.9152  17.681  8.5611  -4.072010      11.00512 
1 1 1 -27 28  6  o 16.565  7.8635  112.730    85.383   -42.7640   125.722  245.844    116.324  ?       ?       18.833  9.0064  0.000000       9.006390 
1 1 1 -27 28  7  o 13.623  6.7058  17.365     78.163   176.047    120.897  -96.6005   102.456  16.792  8.2804  ?       ?       0.000000       8.280392 
1 1 1 -27 28  8  o 14.996  7.4593  72.783     106.408  122.586    261.760  62.924     116.465  ?       ?       14.769  7.4136  0.000000       7.413649 
1 1 1 -27 28  9  o 11.631  5.8566  -66.6727   75.788   -92.3168   111.623  -44.7402   103.229  ?       ?       12.969  6.5639  0.000000       6.563933 
1 1 1 -27 28  10 o 13.099  6.4626  1.4358     73.973   -82.6564   104.412  86.183     104.818  12.491  6.3501  15.295  7.5724  -2.803600      9.882563 
1 1 1 -27 28  11 o 13.780  6.9331  5.0393     105.027  5.0393     105.027  0.0000     0.0000   13.780  6.9331  ?       ?       0.000000       6.933082 
1 1 1 -27 28  12 o 13.234  6.6881  -30.0930   104.169  -30.0930   104.169  0.0000     0.0000   13.234  6.6881  ?       ?       0.000000       6.688084 
1 1 1 -27 28  13 o 21.845  9.9119  319.563    113.887  380.964    124.003  -11.3625   287.879  22.612  10.292  ?       ?       0.000000       10.29192 
1 1 1 -27 28  14 o ?       ?       -114.1768  104.047  -132.4882  107.429  163.034    417.988  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 28  15 o 13.218  6.7133  -44.8285   114.665  -40.5491   120.042  -89.4187   387.490  13.367  6.7966  ?       ?       0.000000       6.796585 
1 1 1 -27 28  16 o 13.292  6.7520  -37.4152   116.429  -48.2939   121.080  96.088     424.157  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 28  17 o 12.637  6.2382  -6.2880    69.298   -31.6691   112.946  9.0347     87.757   13.228  6.7129  13.462  6.7086  -0.2334270     9.490425 
1 1 1 -27 28  18 o 11.497  5.6584  -21.0116   55.562   17.016     117.585  -31.9433   63.045   13.818  6.9949  11.600  5.7654  2.218385       9.064642 
1 1 1 -27 28  19 o 9.8040  4.9404  -79.2473   54.495   -29.7958   110.361  -95.1927   62.668   12.982  6.5926  10.111  5.1172  2.870427       8.345510 
1 1 1 -27 28  20 o 18.180  8.4518  188.358    90.054   279.300    312.312  180.111    94.048   ?       ?       17.473  8.2821  0.000000       8.282137 
1 1 1 -27 28  21 o 11.771  5.8861  -23.8634   70.081   219.457    303.277  -37.5889   72.030   ?       ?       11.551  5.8027  0.000000       5.802739 
1 1 1 -27 28  22 o 16.247  7.8052  157.885    89.602   0.0000     0.0000   157.885    89.602   ?       ?       16.247  7.8052  0.000000       7.805214 
1 1 1 -27 29  1  o 10.913  5.4535  -53.2142   59.760   -146.3977  114.667  -18.4680   70.020   ?       ?       12.332  6.1202  0.000000       6.120208 
1 1 1 -27 29  2  o 12.664  6.1725  4.0932     61.411   8.4834     109.873  2.0986     74.059   13.724  6.9281  12.994  6.4207  0.7309446      9.445891 
1 1 1 -27 29  3  o 13.946  6.6016  38.024     59.356   4.8513     108.091  52.346     71.023   13.646  6.8867  14.518  6.9680  -0.8718920     9.796858 
1 1 1 -27 29  4  o ?       ?       -147.4697  57.469   -98.4671   96.311   -174.5647  71.616   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 29  5  o 13.511  6.6769  17.692     80.121   175.000    119.448  -110.9752  108.027  16.545  8.1718  ?       ?       0.000000       8.171814 
1 1 1 -27 29  6  o 14.359  7.0250  48.797     81.729   98.297     120.795  7.0053     110.992  15.107  7.5787  13.703  6.9230  1.403172       10.26478 
1 1 1 -27 29  7  o 15.485  7.4436  85.231     81.770   148.135    125.442  38.752     107.827  15.852  7.9186  14.177  7.1188  1.674991       10.64812 
1 1 1 -27 29  8  o 15.204  7.2817  73.350     76.668   120.782    116.647  37.275     101.728  15.569  7.7548  14.138  7.0726  1.431315       10.49564 
1 1 1 -27 29  9  o 11.764  5.8925  -45.7627   71.659   -64.3682   106.770  -30.5128   96.663   12.670  6.4391  12.905  6.5125  -0.2349138     9.158362 
1 1 1 -27 29  10 o 13.318  6.7338  -17.7173   106.676  -17.7173   106.676  0.0000     0.0000   13.318  6.7338  ?       ?       0.000000       6.733795 
1 1 1 -27 29  11 o 14.457  7.2458  52.622     109.110  52.622     109.110  0.0000     0.0000   14.457  7.2458  ?       ?       0.000000       7.245812 
1 1 1 -27 29  12 o 12.911  6.5574  -50.1864   109.414  -50.1864   109.414  0.0000     0.0000   12.911  6.5574  ?       ?       0.000000       6.557391 
1 1 1 -27 29  13 o 16.774  8.2824  192.956    122.403  124.992    136.258  477.104    278.608  15.284  7.7151  ?       ?       0.000000       7.715143 
1 1 1 -27 29  14 o ?       ?       -94.3837   113.724  -114.9524  118.892  126.910    389.972  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 29  15 o 14.137  6.7865  45.829     67.467   -36.6716   99.433   116.215    91.844   12.741  6.4475  15.943  7.7187  -3.202350      10.05726 
1 1 1 -27 29  16 o 12.627  6.2070  4.0283     66.178   -31.3099   102.621  29.186     86.587   12.801  6.4858  13.630  6.7715  -0.8291788     9.376475 
1 1 1 -27 29  17 o 16.890  7.8493  129.256    77.562   201.799    109.258  55.555     110.126  17.040  8.2891  14.039  7.0681  3.000277       10.89346 
1 1 1 -27 29  18 o 11.915  6.0187  -43.3438   83.758   46.360     231.519  -56.8523   89.843   ?       ?       11.890  6.0289  0.000000       6.028913 
1 1 1 -27 29  19 o ?       ?       -116.4720  59.090   159.796    280.683  -129.2836  60.444   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 29  20 o 12.396  6.2283  2.6346     83.253   601.821    285.142  -53.2039   87.046   ?       ?       11.560  5.8690  0.000000       5.868986 
1 1 1 -27 30  1  o 18.986  8.3846  158.930    75.757   247.320    132.127  115.641    92.465   17.136  8.4871  15.886  7.7043  1.249455       11.46244 
1 1 1 -27 30  2  f 15.523  7.2246  78.207     66.088   -57.1534   117.613  140.667    79.894   ?       ?       17.549  8.0891  0.000000       8.089101 
1 1 1 -27 30  3  o 11.275  5.6275  -42.1015   62.736   -54.1896   108.930  -36.1021   76.741   12.696  6.4572  12.064  6.0505  0.6323271      8.848983 
1 1 1 -27 30  4  o 16.122  7.5062  96.394     71.442   209.866    116.558  28.112     90.417   17.178  8.4009  13.717  6.8314  3.461347       10.82789 
1 1 1 -27 30  5  o 14.875  7.1870  70.581     78.672   20.376     120.241  108.161    104.030  13.795  6.9927  15.353  7.5909  -1.557704      10.32085 
1 1 1 -27 30  6  o 12.682  6.2977  -5.8115    74.586   -30.1798   113.693  12.600     98.825   13.098  6.6553  13.515  6.7904  -0.4177132     9.507998 
1 1 1 -27 30  7  o 17.994  8.3273  162.093    85.925   239.782    123.424  89.029     119.693  17.505  8.5787  14.790  7.4362  2.714908       11.35298 
1 1 1 -27 30  8  o 20.912  9.2055  235.258    90.607   194.221    130.975  272.921    125.477  16.255  8.1160  18.131  8.8341  -1.875811      11.99635 
1 1 1 -27 30  9  o 13.571  6.8600  9.1429     110.147  34.011     116.871  -188.4977  329.476  13.968  7.0608  ?       ?       0.000000       7.060837 
1 1 1 -27 30  10 o 14.165  7.1718  49.832     123.954  49.832     123.954  0.0000     0.0000   14.165  7.1718  ?       ?       0.000000       7.171751 
1 1 1 -27 30  11 o 16.503  8.2643  238.254    140.534  238.254    140.534  0.0000     0.0000   16.503  8.2643  ?       ?       0.000000       8.264326 
1 1 1 -27 30  12 o 12.499  6.3512  -53.8136   103.615  -95.4297   111.102  224.117    287.118  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 30  13 o 14.448  6.9335  60.248     70.285   56.219     107.475  63.258     92.906   14.090  7.0791  14.293  7.0857  -0.2031841     10.01605 
1 1 1 -27 30  14 o 11.855  5.9001  -20.3176   66.944   -45.0027   105.896  -3.8856    86.398   12.522  6.3685  12.766  6.4053  -0.2444067     9.032509 
1 1 1 -27 30  15 o 15.634  7.4003  101.311    74.575   75.473     113.130  121.166    99.172   14.123  7.1173  15.234  7.5094  -1.110203      10.34632 
1 1 1 -27 30  16 o 15.300  7.3102  99.970     76.258   42.999     115.303  144.265    101.669  13.492  6.8399  15.471  7.6220  -1.979097      10.24106 
1 1 1 -27 30  17 f 14.847  7.3671  127.157    101.319  110.986    235.188  130.842    112.272  ?       ?       14.615  7.3286  0.000000       7.328604 
1 1 1 -27 30  18 f 12.372  6.2554  0.4811     92.177   131.174    209.602  -30.8548   102.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  1  o 12.214  6.0082  -3.8539    62.361   -27.3007   122.047  4.4305     72.546   ?       ?       12.757  6.3129  0.000000       6.312915 
1 1 1 -27 31  2  o 11.023  5.5448  -60.4864   67.019   97.560     121.334  -129.8754  80.396   14.682  7.3951  ?       ?       0.000000       7.395074 
1 1 1 -27 31  3  o 16.673  7.5737  105.162    66.729   68.829     117.057  122.654    81.218   14.287  7.2047  16.444  7.7652  -2.157213      10.59272 
1 1 1 -27 31  4  o ?       ?       54.942     202.347  -73.5713   322.174  138.661    260.034  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  5  o 16.212  7.5889  107.558    74.635   32.314     120.365  154.560    95.131   13.770  6.9818  16.673  8.0182  -2.902792      10.63189 
1 1 1 -27 31  6  o 13.780  6.7484  40.902     76.005   -36.7786   115.858  99.589     100.703  ?       ?       14.991  7.4222  0.000000       7.422228 
1 1 1 -27 31  7  o 12.641  6.2892  -1.7926    75.800   80.992     114.562  -66.2544   101.092  14.429  7.2569  ?       ?       0.000000       7.256948 
1 1 1 -27 31  8  o ?       ?       -40.5482   124.185  -4.5833    134.238  -254.0507  327.068  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  9  o ?       ?       71.262     142.362  71.262     142.362  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  10 o ?       ?       -159.0385  129.511  -159.0385  129.511  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  11 o 11.822  5.9763  -47.5357   83.717   16.170     121.355  -105.3800  115.638  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  12 o 11.996  5.9823  -13.2204   70.296   51.265     100.164  -75.8107   98.681   13.676  6.8665  ?       ?       0.000000       6.866466 
1 1 1 -27 31  13 o 13.354  6.5891  40.577     76.970   97.350     112.688  -9.0722    105.382  14.208  7.1525  12.684  6.4416  1.523132       9.625569 
1 1 1 -27 31  14 o 13.301  6.5229  43.330     71.761   135.973    103.048  -43.8953   99.990   14.939  7.4158  ?       ?       0.000000       7.415824 
1 1 1 -27 31  15 o 11.867  6.0161  -30.2662   89.255   -17.2887   213.314  -33.0205   98.271   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 31  16 o 13.446  6.7217  71.312     91.084   129.205    227.536  60.264     99.395   ?       ?       13.176  6.6437  0.000000       6.643732 
1 1 1 -27 31  17 o 12.295  6.2224  18.255     92.655   126.301    210.327  -7.7624    103.209  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 32  1  o 13.813  6.6207  46.509     63.655   -62.0879   121.670  87.436     74.693   ?       ?       15.135  7.2322  0.000000       7.232163 
1 1 1 -27 32  2  f 12.775  6.2844  15.064     68.258   6.6113     122.629  18.859     82.163   ?       ?       13.083  6.5152  0.000000       6.515228 
1 1 1 -27 32  3  o 14.368  6.8618  62.430     67.036   -58.8313   117.516  120.922    81.618   ?       ?       16.001  7.6220  0.000000       7.621952 
1 1 1 -27 32  4  o 16.932  7.8356  134.327    76.076   221.097    121.172  77.870     97.741   16.428  8.1351  14.294  7.1165  2.133965       10.80848 
1 1 1 -27 32  5  f 16.201  7.4882  107.635    69.166   59.099     118.339  132.817    85.241   13.815  6.9959  16.130  7.7126  -2.314704      10.41284 
1 1 1 -27 32  6  o ?       ?       -66.3475   114.832  -128.5676  122.776  368.305    324.504  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 32  7  o ?       ?       190.339    369.454  0.0000     0.0000   190.339    369.454  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 32  8  o 14.263  7.2476  120.133    134.833  48.927     146.874  501.779    340.028  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 32  9  o ?       ?       -97.0239   120.868  -97.0239   120.868  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 32  10 o 14.816  7.4802  172.612    128.385  172.612    128.385  0.0000     0.0000   14.816  7.4802  ?       ?       0.000000       7.480236 
1 1 1 -27 32  11 o 11.337  5.7020  -32.9000   70.760   -38.7163   102.137  -27.5316   98.124   ?       ?       12.122  6.1616  0.000000       6.161568 
1 1 1 -27 32  12 o 11.653  5.8649  -19.8609   75.511   74.555     106.102  -116.7605  107.488  13.480  6.8050  ?       ?       0.000000       6.804974 
1 1 1 -27 32  13 o 13.276  6.6973  70.164     101.681  -76.9498   234.394  104.266    112.853  ?       ?       13.654  6.9055  0.000000       6.905534 
1 1 1 -27 32  14 o 12.429  6.2557  28.106     85.986   -78.5887   219.366  47.475     93.465   ?       ?       12.767  6.4379  0.000000       6.437891 
1 1 1 -27 32  15 o ?       ?       -58.7175   80.617   26.691     216.021  -72.5373   86.895   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  1  o 12.285  6.0697  7.4980     66.079   -56.2737   126.524  31.417     77.487   ?       ?       13.071  6.4783  0.000000       6.478333 
1 1 1 -27 33  2  o 14.544  6.9357  75.969     67.976   2.1344     125.195  106.836    80.948   ?       ?       15.124  7.3032  0.000000       7.303229 
1 1 1 -27 33  3  o ?       ?       -198.7684  109.294  -198.8926  114.682  -197.5383  360.813  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  4  o ?       ?       -52.7939   114.342  -78.2816   121.889  134.118    330.078  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  5  o ?       ?       -110.5806  122.804  -145.3447  131.017  140.918    352.396  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  6  o ?       ?       -132.6537  325.763  0.0000     0.0000   -132.6537  325.763  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  7  o 16.843  8.0331  192.424    91.260   93.400     139.945  265.691    120.377  ?       ?       16.381  8.1111  0.000000       8.111068 
1 1 1 -27 33  8  o ?       ?       12.402     115.680  12.402     115.680  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  9  o ?       ?       -93.3115   112.683  -93.3115   112.683  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 33  10 o 15.312  7.4050  143.987    83.957   86.137     125.404  190.979    113.025  ?       ?       14.835  7.4265  0.000000       7.426452 
1 1 1 -27 33  11 o 14.225  6.9950  114.168    84.293   138.393    124.135  93.441     114.826  13.574  6.9029  13.168  6.6908  0.4061346      9.613351 
1 1 1 -27 33  12 o ?       ?       -19.4303   107.506  43.214     228.603  -37.2186   121.817  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  1  o ?       ?       -90.8853   135.681  -37.8315   147.628  -379.4637  344.303  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  2  o ?       ?       -99.9924   135.883  -62.6964   147.786  -303.9316  345.583  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  3  o ?       ?       145.978    151.337  94.772     164.161  435.851    390.583  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  4  o ?       ?       -41.3992   129.036  -55.8075   139.496  44.009     339.629  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  5  o 11.771  5.8480  7.0410     64.618   -111.9668  124.301  51.112     75.642   ?       ?       12.968  6.4227  0.000000       6.422669 
1 1 1 -27 34  6  o 13.602  6.6433  75.096     72.163   145.618    118.932  34.003     90.785   13.821  7.0006  12.499  6.3080  1.322392       9.423326 
1 1 1 -27 34  7  o ?       ?       21.749     110.665  -8.2156    117.087  272.637    338.801  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  8  o ?       ?       -144.7411  109.458  -144.7411  109.458  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  9  o ?       ?       -6.1478    116.857  -6.1478    116.857  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 34  10 o ?       ?       -0.5947    96.770   25.679     209.809  -7.6942    109.063  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 35  1  o ?       ?       -69.4707   139.222  -127.3957  151.462  246.111    353.529  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 35  2  o ?       ?       133.710    147.979  68.545     161.593  472.314    368.347  ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 35  3  o 13.590  6.6493  87.317     73.285   161.446    130.240  52.972     88.651   ?       ?       12.529  6.3119  0.000000       6.311936 
1 1 1 -27 35  4  o ?       ?       -93.0523   57.549   -37.8571   117.477  -110.4799  66.012   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 35  5  o 13.230  6.4481  75.183     67.005   -5.4776    111.305  121.029    83.914   ?       ?       13.840  6.8384  0.000000       6.838392 
1 1 1 -27 35  6  o ?       ?       -132.7453  57.943   18.502     108.130  -193.6709  68.628   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 35  7  o ?       ?       -58.6291   214.683  -58.6291   214.683  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 36  1  o 11.836  5.9306  36.182     72.842   118.250    133.236  1.1939     86.995   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 36  2  o 11.004  5.5441  0.4464     68.396   109.325    132.963  -38.7297   79.757   ?       ?       ?       ?       0.000000       ?        
1 1 1 -27 36  3  o 13.173  6.4791  97.247     72.473   142.895    129.599  76.477     87.419   ?       ?       12.309  6.2094  0.000000       6.209449 
1 1 1 -27 36  4  o 10.840  5.4354  4.7867     61.711   -16.6687   116.448  13.165     72.769   ?       ?       11.153  5.6308  0.000000       5.630836 
1 1 1 -26 -39 27 o 11.336  5.6949  13.492     69.462   0.0000     0.0000   13.492     69.462   ?       ?       11.336  5.6949  0.000000       5.694866 
1 1 1 -26 -39 28 o 10.941  5.4809  -1.2369    62.079   67.039     131.577  -20.7872   70.408   ?       ?       10.746  5.4366  0.000000       5.436588 
1 1 1 -26 -39 29 f 11.067  5.6061  -11.5477   76.435   -32.0532   158.185  -5.3016    87.304   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -39 30 o 12.017  6.0656  39.572     84.084   122.070    157.102  6.4528     99.541   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -39 31 o ?       ?       -32.0451   82.390   6.4491     160.277  -45.8704   96.053   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -39 32 o 13.603  6.6454  97.072     72.338   -29.9588   140.020  143.320    84.486   ?       ?       14.261  7.0106  0.000000       7.010617 
1 1 1 -26 -39 33 o 11.713  5.8430  23.946     67.295   99.063     132.761  -2.0274    78.067   ?       ?       11.314  5.7242  0.000000       5.724241 
1 1 1 -26 -39 34 o 11.598  5.7492  21.599     61.104   -67.5814   133.339  45.305     68.747   ?       ?       12.235  6.0707  0.000000       6.070684 
1 1 1 -26 -39 35 o ?       ?       -223.3176  86.251   -321.6046  119.137  -115.0641  125.032  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -39 36 o ?       ?       -26.4512   111.174  -364.0286  237.434  68.342     125.819  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -39 37 o 13.990  7.0890  240.591    122.919  94.940     263.266  281.194    139.001  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -38 23 o 10.904  5.4619  -10.5926   61.578   0.0000     0.0000   -10.5926   61.578   ?       ?       10.904  5.4619  0.000000       5.461884 
1 1 1 -26 -38 24 o 11.657  5.7682  16.668     60.524   0.0000     0.0000   16.668     60.524   ?       ?       11.657  5.7682  0.000000       5.768247 
1 1 1 -26 -38 25 o 13.971  6.7225  88.033     67.099   0.0000     0.0000   88.033     67.099   ?       ?       13.971  6.7225  0.000000       6.722543 
1 1 1 -26 -38 26 o 11.385  5.6278  5.6571     57.073   -82.5403   154.553  19.583     61.413   ?       ?       11.878  5.8655  0.000000       5.865499 
1 1 1 -26 -38 27 o 10.096  5.0734  -41.9675   55.352   86.518     129.388  -70.7486   61.238   ?       ?       9.8393  4.9878  0.000000       4.987799 
1 1 1 -26 -38 28 o 10.201  5.1283  -42.0107   56.842   -186.7528  126.502  -5.3940    63.627   ?       ?       11.339  5.6606  0.000000       5.660599 
1 1 1 -26 -38 29 o 13.807  6.6043  72.003     62.616   47.438     135.286  78.700     70.638   ?       ?       13.760  6.6872  0.000000       6.687216 
1 1 1 -26 -38 30 o 14.508  7.1356  127.640    87.879   -18.5572   173.280  178.262    101.964  ?       ?       14.992  7.4307  0.000000       7.430730 
1 1 1 -26 -38 31 o 14.438  7.1378  131.021    91.910   334.944    166.619  41.833     110.190  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -38 32 o 14.828  6.9705  96.182     64.115   266.722    165.714  66.158     69.531   ?       ?       13.445  6.5562  0.000000       6.556220 
1 1 1 -26 -38 33 f 12.119  5.9127  23.965     56.759   37.235     135.090  21.120     62.548   ?       ?       12.095  5.9627  0.000000       5.962684 
1 1 1 -26 -38 34 o 12.293  5.9752  29.150     56.459   -147.8799  136.321  65.803     62.029   ?       ?       13.625  6.5318  0.000000       6.531790 
1 1 1 -26 -38 35 o 13.904  6.5976  71.168     59.999   240.204    136.968  31.031     66.743   14.522  7.3718  12.388  6.1166  2.134451       9.578954 
1 1 1 -26 -38 36 o 12.382  6.2545  27.894     90.354   -141.9382  236.698  56.862     97.756   ?       ?       12.835  6.4856  0.000000       6.485614 
1 1 1 -26 -38 37 f 14.346  7.1514  148.577    100.042  11.953     251.394  174.284    109.049  ?       ?       14.466  7.2497  0.000000       7.249657 
1 1 1 -26 -38 38 o 10.493  5.2692  -32.3744   59.098   0.0000     0.0000   -32.3744   59.098   ?       ?       10.493  5.2692  0.000000       5.269218 
1 1 1 -26 -38 39 o 14.337  6.8141  92.233     64.508   2.2886     178.606  105.726    69.177   ?       ?       14.579  6.9645  0.000000       6.964539 
1 1 1 -26 -38 40 o 12.228  5.9806  34.191     59.095   -94.1155   144.166  60.104     64.789   ?       ?       13.030  6.3483  0.000000       6.348299 
1 1 1 -26 -38 41 o 12.561  6.1031  46.181     58.756   69.640     142.619  41.385     64.483   ?       ?       12.353  6.0826  0.000000       6.082622 
1 1 1 -26 -37 19 o 10.768  5.3669  -13.4915   56.261   0.0000     0.0000   -13.4915   56.261   ?       ?       10.768  5.3669  0.000000       5.366923 
1 1 1 -26 -37 20 o 13.198  6.6137  78.341     90.747   0.0000     0.0000   78.341     90.747   ?       ?       13.198  6.6137  0.000000       6.613739 
1 1 1 -26 -37 21 o 14.768  7.3110  156.775    97.628   0.0000     0.0000   156.775    97.628   ?       ?       14.768  7.3110  0.000000       7.310981 
1 1 1 -26 -37 22 o 12.992  6.5270  54.041     91.267   0.0000     0.0000   54.041     91.267   ?       ?       12.992  6.5270  0.000000       6.527040 
1 1 1 -26 -37 23 o 15.808  7.3687  120.559    69.173   0.0000     0.0000   120.559    69.173   ?       ?       15.808  7.3687  0.000000       7.368713 
1 1 1 -26 -37 24 o 10.113  5.0968  -57.6012   58.135   0.0000     0.0000   -57.6012   58.135   ?       ?       10.113  5.0968  0.000000       5.096838 
1 1 1 -26 -37 25 o 8.9024  4.5162  -92.3067   50.846   -37.1551   119.940  -104.3898  56.140   ?       ?       9.1092  4.6333  0.000000       4.633255 
1 1 1 -26 -37 26 o 10.178  5.1063  -48.2954   54.886   -41.3618   127.049  -49.8864   60.858   ?       ?       10.494  5.2794  0.000000       5.279396 
1 1 1 -26 -37 27 o 12.353  6.0324  19.775     59.462   85.455     130.198  2.4658     66.839   ?       ?       11.998  5.9588  0.000000       5.958768 
1 1 1 -26 -37 28 o 15.683  7.1956  97.947     62.230   21.890     128.556  121.222    71.117   ?       ?       16.079  7.4869  0.000000       7.486942 
1 1 1 -26 -37 29 o 13.936  6.6285  59.920     61.254   314.224    133.405  -8.0161    68.952   16.659  8.2971  11.840  5.9080  4.818720       10.18558 
1 1 1 -26 -37 30 o 15.066  7.3399  118.440    86.544   212.336    162.095  81.002     102.353  ?       ?       13.829  6.9430  0.000000       6.943031 
1 1 1 -26 -37 31 o 11.334  5.7339  -49.7775   78.233   -238.3152  171.177  0.0007     87.956   ?       ?       12.419  6.2606  0.000000       6.260647 
1 1 1 -26 -37 32 o 14.466  7.1494  102.060    91.953   -79.0183   200.684  150.180    103.452  ?       ?       15.158  7.5080  0.000000       7.508013 
1 1 1 -26 -37 33 o 12.555  6.1220  23.089     60.593   235.437    161.843  -11.5279   65.345   ?       ?       11.664  5.8089  0.000000       5.808909 
1 1 1 -26 -37 34 o 11.205  5.5299  -11.9160   54.304   -227.7369  127.233  36.157     60.048   ?       ?       13.010  6.2842  0.000000       6.284212 
1 1 1 -26 -37 35 o 12.395  6.0082  21.362     56.046   10.130     130.931  23.882     62.015   ?       ?       12.575  6.1450  0.000000       6.144955 
1 1 1 -26 -37 36 o 16.714  7.9725  180.196    89.926   277.999    149.861  125.164    112.413  15.322  7.7709  14.336  7.2078  0.9859314      10.59902 
1 1 1 -26 -37 37 o 11.629  5.9076  -47.5720   89.190   177.855    234.639  -85.6441   96.428   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -37 38 o 13.911  6.9541  90.296     97.484   123.842    233.054  83.182     107.325  ?       ?       13.653  6.8866  0.000000       6.886631 
1 1 1 -26 -37 39 o 10.417  5.2082  -36.9908   54.794   145.657    126.841  -78.8950   60.755   14.144  7.1710  9.8760  5.0024  4.268406       8.743430 
1 1 1 -26 -37 40 o 11.309  5.6120  -9.2893    58.822   -42.8333   134.419  -1.3443    65.418   ?       ?       11.728  5.8359  0.000000       5.835916 
1 1 1 -26 -37 41 f 12.108  5.9085  20.122     56.760   82.433     137.960  7.4255     62.274   ?       ?       11.819  5.8490  0.000000       5.849038 
1 1 1 -26 -37 42 o 12.751  6.2014  40.221     61.043   -81.1232   144.844  66.427     67.312   ?       ?       13.566  6.5778  0.000000       6.577767 
1 1 1 -26 -37 43 o 11.716  5.7706  12.592     58.140   -11.8100   139.017  17.766     64.007   ?       ?       11.967  5.9233  0.000000       5.923332 
1 1 1 -26 -37 44 o 14.573  6.8921  97.012     64.424   106.169    151.605  94.994     71.170   ?       ?       14.100  6.8184  0.000000       6.818379 
1 1 1 -26 -36 16 o 4.6707  2.3450  -29.3482   11.677   0.0000     0.0000   -29.3482   11.677   ?       ?       4.6707  2.3450  0.000000       2.345020 
1 1 1 -26 -36 17 o ?       ?       -490.8200  14.506   0.0000     0.0000   -490.8200  14.506   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -36 18 o ?       ?       5.5296     128.706  0.0000     0.0000   5.5296     128.706  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -36 19 o 12.872  6.3472  34.460     71.015   0.0000     0.0000   34.460     71.015   ?       ?       12.872  6.3472  0.000000       6.347207 
1 1 1 -26 -36 20 o 13.569  6.8387  67.467     104.611  0.0000     0.0000   67.467     104.611  ?       ?       13.569  6.8387  0.000000       6.838737 
1 1 1 -26 -36 21 o 13.166  6.5829  36.657     87.574   0.0000     0.0000   36.657     87.574   ?       ?       13.166  6.5829  0.000000       6.582851 
1 1 1 -26 -36 22 o 13.473  6.7310  47.888     90.714   0.0000     0.0000   47.888     90.714   ?       ?       13.473  6.7310  0.000000       6.730980 
1 1 1 -26 -36 23 o 15.741  7.2464  94.506     63.840   -166.8718  231.782  115.962    66.409   ?       ?       16.670  7.5658  0.000000       7.565835 
1 1 1 -26 -36 24 o 11.907  5.8059  3.4866     54.483   -22.4732   123.629  9.7434     60.694   ?       ?       12.321  6.0331  0.000000       6.033147 
1 1 1 -26 -36 25 o 14.545  6.8113  64.648     60.233   103.409    129.715  53.993     68.010   14.255  7.2296  13.937  6.7212  0.3175459      9.871215 
1 1 1 -26 -36 26 o 11.448  5.6588  -16.3422   57.689   91.695     143.639  -37.1202   62.992   ?       ?       11.160  5.5804  0.000000       5.580381 
1 1 1 -26 -36 27 o 12.021  5.8769  2.1170     56.913   -7.6909    123.830  4.7438     64.083   ?       ?       12.337  6.0728  0.000000       6.072799 
1 1 1 -26 -36 28 o 14.620  6.8591  65.254     61.558   52.230     132.348  68.850     69.538   ?       ?       14.549  6.9592  0.000000       6.959234 
1 1 1 -26 -36 29 o 14.274  6.7422  57.259     61.306   118.816    131.825  40.272     69.250   14.546  7.3679  13.555  6.5951  0.9914627      9.888430 
1 1 1 -26 -36 30 o 13.363  6.4540  34.963     63.306   256.490    155.352  -9.1478    69.322   15.708  7.9607  12.152  6.0405  3.556187       9.993038 
1 1 1 -26 -36 31 o 15.876  7.7183  137.077    94.342   54.624     211.055  157.666    105.465  ?       ?       15.892  7.8163  0.000000       7.816263 
1 1 1 -26 -36 32 o 14.141  7.0211  65.619     92.569   123.989    210.355  51.601     103.087  ?       ?       13.818  6.9413  0.000000       6.941253 
1 1 1 -26 -36 33 o 14.088  6.7484  54.293     65.906   -12.0539   151.330  69.822     73.214   ?       ?       14.532  6.9995  0.000000       6.999526 
1 1 1 -26 -36 34 o 15.990  7.2604  90.780     61.241   169.143    138.209  71.635     68.313   15.079  7.6278  14.716  6.9996  0.3634787      10.35261 
1 1 1 -26 -36 35 o 12.274  5.9258  11.925     53.229   3.1229     129.256  13.723     58.412   ?       ?       12.495  6.0743  0.000000       6.074342 
1 1 1 -26 -36 36 o 13.716  6.4254  43.866     53.683   -126.0431  132.091  77.482     58.754   ?       ?       15.355  7.0254  0.000000       7.025395 
1 1 1 -26 -36 37 o 11.380  5.7663  -67.9306   81.235   22.949     233.582  -80.4347   86.643   ?       ?       11.398  5.7933  0.000000       5.793250 
1 1 1 -26 -36 38 o 15.277  7.5050  123.836    96.292   217.706    252.768  107.901    104.145  ?       ?       14.702  7.3238  0.000000       7.323772 
1 1 1 -26 -36 39 o 15.353  7.1976  89.939     67.571   52.914     233.906  93.310     70.581   ?       ?       15.341  7.2426  0.000000       7.242616 
1 1 1 -26 -36 40 o 15.226  7.0760  83.610     63.031   260.116    142.262  40.497     70.309   15.821  7.9736  13.369  6.5353  2.451696       10.30962 
1 1 1 -26 -36 41 o 10.082  5.0611  -55.6847   54.278   -51.8845   134.529  -56.4236   59.320   ?       ?       10.398  5.2287  0.000000       5.228652 
1 1 1 -26 -36 42 o 14.691  6.8859  75.330     61.796   133.419    141.969  61.751     68.639   ?       ?       13.920  6.7226  0.000000       6.722614 
1 1 1 -26 -36 43 o 14.400  6.7829  71.251     61.268   118.921    142.573  60.453     67.853   ?       ?       13.775  6.6604  0.000000       6.660389 
1 1 1 -26 -36 44 o 15.852  7.2732  106.871    63.584   136.590    149.358  100.292    70.270   ?       ?       15.041  7.1381  0.000000       7.138097 
1 1 1 -26 -36 45 o 13.779  6.5829  64.348     61.819   -82.1470   149.022  94.796     67.940   ?       ?       14.759  7.0085  0.000000       7.008540 
1 1 1 -26 -35 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -35 15 o 10.751  4.6085  15.738     21.497   0.0000     0.0000   15.738     21.497   ?       ?       10.751  4.6085  0.000000       4.608528 
1 1 1 -26 -35 16 o 30.385  11.248  526.620    109.991  0.0000     0.0000   526.620    109.991  ?       ?       30.385  11.248  0.000000       11.24755 
1 1 1 -26 -35 17 o 17.502  8.0546  159.094    78.791   0.0000     0.0000   159.094    78.791   ?       ?       17.502  8.0546  0.000000       8.054642 
1 1 1 -26 -35 18 o 10.172  5.1606  -95.8038   66.456   0.0000     0.0000   -95.8038   66.456   ?       ?       10.172  5.1606  0.000000       5.160619 
1 1 1 -26 -35 19 o 13.820  6.7236  48.361     71.930   0.0000     0.0000   48.361     71.930   ?       ?       13.820  6.7236  0.000000       6.723576 
1 1 1 -26 -35 20 f 11.409  5.7053  -36.3933   65.922   0.0000     0.0000   -36.3933   65.922   ?       ?       11.409  5.7053  0.000000       5.705254 
1 1 1 -26 -35 21 o 12.955  6.5752  -17.5633   108.622  0.0000     0.0000   -17.5633   108.622  ?       ?       12.955  6.5752  0.000000       6.575192 
1 1 1 -26 -35 22 o 13.604  6.7902  31.118     91.388   -249.0356  217.246  91.354     100.735  ?       ?       14.809  7.3479  0.000000       7.347936 
1 1 1 -26 -35 23 f 12.236  5.9384  4.7238     55.215   77.279     120.351  -14.6193   62.141   14.403  7.2681  11.893  5.8778  2.509556       9.347366 
1 1 1 -26 -35 24 o 17.020  7.5106  100.888    60.673   137.804    127.940  90.177     68.915   15.237  7.6641  15.826  7.3694  -0.5889769     10.63231 
1 1 1 -26 -35 25 f 11.804  5.7684  -7.4533    54.629   -22.7342   116.947  -3.1882    61.785   13.146  6.6867  12.261  6.0208  0.8856249      8.997889 
1 1 1 -26 -35 26 o 11.023  5.4688  -34.4675   55.757   -39.7936   122.969  -33.0891   62.558   ?       ?       11.459  5.7030  0.000000       5.702991 
1 1 1 -26 -35 27 o 14.354  6.7315  51.130     59.193   64.530     126.441  47.369     66.986   14.312  7.2457  14.130  6.7776  0.1821318      9.921519 
1 1 1 -26 -35 28 o 13.334  6.3687  28.498     57.781   -16.7826   121.232  41.808     65.727   ?       ?       13.929  6.6901  0.000000       6.690056 
1 1 1 -26 -35 29 o 14.283  6.7571  49.944     62.013   -46.2328   148.538  70.246     68.245   ?       ?       15.051  7.1106  0.000000       7.110582 
1 1 1 -26 -35 30 o 9.5648  4.8420  -99.0382   56.385   -10.8498   143.443  -115.1551  61.322   ?       ?       9.6682  4.9102  0.000000       4.910213 
1 1 1 -26 -35 31 o 13.113  6.5440  4.2403     84.728   -55.0121   187.813  19.380     94.937   ?       ?       13.558  6.7900  0.000000       6.790042 
1 1 1 -26 -35 32 o 12.532  6.2736  -19.0970   80.708   -73.2926   197.988  -8.2966    88.385   ?       ?       12.936  6.4886  0.000000       6.488634 
1 1 1 -26 -35 33 o 11.301  5.6543  -46.2503   65.151   -58.8652   174.816  -44.2156   70.209   ?       ?       11.603  5.8152  0.000000       5.815157 
1 1 1 -26 -35 34 o 14.813  6.8481  59.192     57.885   -24.3075   147.093  74.492     62.965   ?       ?       15.440  7.1392  0.000000       7.139248 
1 1 1 -26 -35 35 o 10.624  5.2873  -44.2817   53.766   82.514     127.478  -71.7177   59.298   14.566  7.3641  10.352  5.2085  4.213402       9.019886 
1 1 1 -26 -35 36 o 10.954  5.4070  -28.8141   52.030   55.482     125.156  -46.4265   57.208   14.205  7.1935  10.803  5.3887  3.402469       8.988022 
1 1 1 -26 -35 37 o 15.385  7.4340  93.158     84.192   193.911    134.521  28.278     107.948  15.994  8.0204  13.766  6.9388  2.228530       10.60540 
1 1 1 -26 -35 38 o 15.802  7.7606  131.841    102.731  312.766    253.374  96.247     112.383  ?       ?       14.844  7.4271  0.000000       7.427149 
1 1 1 -26 -35 39 o 12.575  6.3503  -29.6406   92.796   213.165    241.885  -71.5426   100.484  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -35 40 o 18.196  7.8303  122.668    62.505   26.945     142.652  145.413    69.535   ?       ?       18.718  8.1559  0.000000       8.155861 
1 1 1 -26 -35 41 o 12.834  6.1931  19.838     57.969   -166.6761  134.312  62.536     64.263   ?       ?       14.602  6.8989  0.000000       6.898943 
1 1 1 -26 -35 42 o 23.012  9.0852  224.508    74.904   78.260     191.035  251.077    81.424   ?       ?       23.160  9.3609  0.000000       9.360875 
1 1 1 -26 -35 43 o 13.304  6.4198  34.140     62.295   266.049    149.685  -14.4410   68.510   15.957  8.0589  11.976  5.9617  3.980692       10.02433 
1 1 1 -26 -35 44 o 19.968  8.3925  171.809    68.940   10.469     159.039  209.140    76.501   ?       ?       20.912  8.8176  0.000000       8.817560 
1 1 1 -26 -35 45 o 13.144  6.3474  35.757     61.181   -33.0349   144.145  50.873     67.570   ?       ?       13.668  6.6181  0.000000       6.618089 
1 1 1 -26 -35 46 o 18.711  8.1253  161.082    68.536   140.581    154.388  166.114    76.485   ?       ?       17.741  8.0779  0.000000       8.077861 
1 1 1 -26 -35 47 f 15.882  7.6280  151.061    85.463   84.381     153.518  181.007    102.879  ?       ?       15.584  7.6758  0.000000       7.675752 
1 1 1 -26 -34 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -34 13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -34 14 o 13.258  5.3470  33.321     26.505   0.0000     0.0000   33.321     26.505   ?       ?       13.258  5.3470  0.000000       5.347031 
1 1 1 -26 -34 15 f 5.9337  2.6406  -1.0944    7.6554   0.0000     0.0000   -1.0944    7.6554   ?       ?       5.9337  2.6406  0.000000       2.640590 
1 1 1 -26 -34 16 o 17.751  8.2249  160.609    84.211   0.0000     0.0000   160.609    84.211   ?       ?       17.751  8.2249  0.000000       8.224922 
1 1 1 -26 -34 17 o 13.011  6.4225  10.919     73.395   0.0000     0.0000   10.919     73.395   ?       ?       13.011  6.4225  0.000000       6.422482 
1 1 1 -26 -34 18 o 12.944  6.4286  1.9583     77.810   0.0000     0.0000   1.9583     77.810   ?       ?       12.944  6.4286  0.000000       6.428591 
1 1 1 -26 -34 19 o 14.850  7.0796  63.949     70.715   0.0000     0.0000   63.949     70.715   ?       ?       14.850  7.0796  0.000000       7.079563 
1 1 1 -26 -34 20 o 14.808  7.0617  61.432     70.477   0.0000     0.0000   61.432     70.477   ?       ?       14.808  7.0617  0.000000       7.061725 
1 1 1 -26 -34 21 o 13.907  6.9805  25.207     103.119  69.090     221.810  13.107     116.470  ?       ?       13.825  6.9943  0.000000       6.994275 
1 1 1 -26 -34 22 o ?       ?       -87.9840   100.912  0.0000     0.0000   -87.9840   100.912  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -34 23 o 13.142  6.4068  13.720     66.278   -120.2137  233.161  25.494     69.129   ?       ?       13.586  6.6055  0.000000       6.605466 
1 1 1 -26 -34 24 o 12.905  6.2293  12.710     58.777   -59.1516   119.963  35.411     67.425   ?       ?       13.923  6.7090  0.000000       6.708978 
1 1 1 -26 -34 25 o 15.780  7.1715  73.350     59.931   236.844    127.913  27.367     67.837   17.532  8.6204  13.648  6.6142  3.884053       10.86545 
1 1 1 -26 -34 26 o 18.175  7.8056  112.820    61.882   187.263    129.587  90.830     70.432   16.497  8.2100  16.195  7.5103  0.3023090      11.12690 
1 1 1 -26 -34 27 o 32.606  9.1044  305.218    74.789   142.517    155.199  354.427    85.353   15.352  7.7982  32.631  9.9088  -17.27916      12.60939 
1 1 1 -26 -34 28 o 24.975  9.1011  219.024    71.577   34.905     164.253  262.184    79.525   ?       ?       26.266  9.5898  0.000000       9.589816 
1 1 1 -26 -34 29 o 11.494  5.6914  -30.9237   59.278   35.119     144.119  -44.3716   65.033   ?       ?       11.474  5.7272  0.000000       5.727230 
1 1 1 -26 -34 30 o 13.207  6.3896  17.411     62.671   -56.8181   150.269  33.041     68.953   ?       ?       13.872  6.7090  0.000000       6.708971 
1 1 1 -26 -34 31 o 14.466  7.0785  50.340     83.079   142.823    145.974  6.0303     101.040  15.490  7.8361  13.633  6.8514  1.857631       10.40898 
1 1 1 -26 -34 32 o 13.410  6.5689  16.955     72.133   191.206    177.928  -17.3162   78.908   ?       ?       12.709  6.3382  0.000000       6.338157 
1 1 1 -26 -34 33 o 13.389  6.5520  16.700     71.213   -26.8211   179.339  24.847     77.593   ?       ?       13.733  6.7445  0.000000       6.744471 
1 1 1 -26 -34 34 o 18.162  7.8257  113.214    62.588   272.135    149.399  79.385     68.929   17.205  8.6018  15.760  7.3492  1.445621       11.31374 
1 1 1 -26 -34 35 o 17.573  7.6700  103.273    61.728   316.958    136.588  48.428     69.198   18.793  9.1697  14.455  6.9216  4.338150       11.48877 
1 1 1 -26 -34 36 o 11.668  5.7193  -17.4043   54.957   112.945    126.669  -47.6305   60.997   15.369  7.7172  11.164  5.5685  4.204311       9.516453 
1 1 1 -26 -34 37 o 11.741  5.7569  -16.6195   55.821   -103.9410  125.537  4.9007     62.321   ?       ?       12.766  6.2215  0.000000       6.221476 
1 1 1 -26 -34 38 o 13.776  6.8780  18.472     94.055   83.697     221.883  4.1852     103.846  ?       ?       13.639  6.8663  0.000000       6.866326 
1 1 1 -26 -34 39 o 15.539  7.6415  100.921    100.640  141.445    236.194  91.931     111.243  ?       ?       15.169  7.5586  0.000000       7.558600 
1 1 1 -26 -34 40 o 13.671  6.4814  32.122     57.649   -186.1250  131.479  84.067     64.144   ?       ?       16.133  7.3657  0.000000       7.365724 
1 1 1 -26 -34 41 o 18.434  7.9420  122.768    64.453   130.295    146.092  120.949    71.820   15.209  7.7093  17.518  7.9173  -2.309171      11.05069 
1 1 1 -26 -34 42 o 15.461  7.1148  71.423     61.455   122.080    148.028  60.874     67.552   15.020  7.6283  14.797  7.0153  0.2232656      10.36363 
1 1 1 -26 -34 43 o 16.042  7.3907  88.998     66.577   57.637     159.639  95.601     73.251   ?       ?       16.002  7.4992  0.000000       7.499232 
1 1 1 -26 -34 44 o 14.847  7.0066  65.444     65.936   110.021    149.991  54.766     73.409   ?       ?       14.319  6.9244  0.000000       6.924423 
1 1 1 -26 -34 45 f 15.335  7.1335  77.625     64.297   126.055    147.076  66.183     71.490   ?       ?       14.626  7.0121  0.000000       7.012114 
1 1 1 -26 -34 46 o 14.824  6.9792  70.527     64.706   63.136     148.080  72.272     71.937   ?       ?       14.683  7.0380  0.000000       7.038004 
1 1 1 -26 -34 47 o 13.457  6.4559  40.710     60.825   137.020    140.550  18.517     67.470   14.483  7.3633  12.753  6.2684  1.730548       9.670147 
1 1 1 -26 -34 48 o 12.564  6.2790  10.044     79.263   -222.0078  176.357  68.785     88.730   ?       ?       13.872  6.8852  0.000000       6.885213 
1 1 1 -26 -33 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -33 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -33 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -33 13 o 8.9996  4.1495  -2.7103    21.048   0.0000     0.0000   -2.7103    21.048   ?       ?       8.9996  4.1495  0.000000       4.149525 
1 1 1 -26 -33 14 o 10.753  4.6040  13.064     21.412   0.0000     0.0000   13.064     21.412   ?       ?       10.753  4.6040  0.000000       4.604042 
1 1 1 -26 -33 15 o 17.671  7.6662  104.376    60.895   0.0000     0.0000   104.376    60.895   ?       ?       17.671  7.6662  0.000000       7.666234 
1 1 1 -26 -33 16 o 15.322  7.3264  73.423     76.928   0.0000     0.0000   73.423     76.928   ?       ?       15.322  7.3264  0.000000       7.326433 
1 1 1 -26 -33 17 o 13.971  6.9551  23.399     93.275   0.0000     0.0000   23.399     93.275   ?       ?       13.971  6.9551  0.000000       6.955132 
1 1 1 -26 -33 18 o 16.736  7.8334  108.501    79.491   0.0000     0.0000   108.501    79.491   ?       ?       16.736  7.8334  0.000000       7.833430 
1 1 1 -26 -33 19 o 11.349  5.6026  -31.6729   55.887   -75.7625   199.107  -27.9022   58.227   ?       ?       11.615  5.7311  0.000000       5.731096 
1 1 1 -26 -33 20 o 14.395  6.8566  42.717     66.021   216.590    218.069  25.171     69.273   ?       ?       13.775  6.6776  0.000000       6.677588 
1 1 1 -26 -33 21 o 19.726  8.9079  194.404    90.710   242.371    133.271  153.002    123.817  17.771  8.7494  16.375  8.1286  1.395702       11.94255 
1 1 1 -26 -33 22 o 13.902  6.9555  12.720     98.555   31.920     226.403  8.2318     109.471  ?       ?       13.956  7.0289  0.000000       7.028948 
1 1 1 -26 -33 23 o 15.113  7.5289  75.463     110.141  -133.3671  238.592  132.016    124.162  ?       ?       15.958  7.9568  0.000000       7.956760 
1 1 1 -26 -33 24 f 9.9535  4.9999  -76.0877   53.451   -145.1912  110.285  -54.8724   61.107   ?       ?       11.066  5.5279  0.000000       5.527926 
1 1 1 -26 -33 25 f 14.032  6.6855  34.963     62.858   131.584    121.482  -0.3636    73.456   15.981  7.9527  13.078  6.4500  2.903109       10.23953 
1 1 1 -26 -33 26 o 13.643  6.5679  24.757     64.244   62.961     141.517  14.841     72.101   14.783  7.5033  13.474  6.5931  1.309778       9.988426 
1 1 1 -26 -33 27 o 10.695  5.3618  -66.6486   59.924   -252.8603  141.718  -26.1062   66.127   ?       ?       12.093  5.9921  0.000000       5.992067 
1 1 1 -26 -33 28 o 16.397  7.5182  87.784     67.777   279.866    203.540  63.829     71.879   ?       ?       15.176  7.2071  0.000000       7.207107 
1 1 1 -26 -33 29 o 15.622  7.2159  69.672     64.069   129.977    151.265  56.488     70.726   15.498  7.8545  14.901  7.0975  0.5966673      10.58619 
1 1 1 -26 -33 30 o 11.239  5.5209  -26.7585   52.089   -132.2003  137.380  -9.0548    56.292   ?       ?       12.119  5.9075  0.000000       5.907450 
1 1 1 -26 -33 31 o 14.739  6.7541  49.369     54.601   -10.9984   143.467  59.593     59.044   ?       ?       15.236  6.9975  0.000000       6.997458 
1 1 1 -26 -33 32 o 14.558  7.0861  47.209     80.173   0.0000     0.0000   47.209     80.173   ?       ?       14.558  7.0861  0.000000       7.086101 
1 1 1 -26 -33 33 o 14.534  7.2628  43.933     105.878  0.0000     0.0000   43.933     105.878  ?       ?       14.534  7.2628  0.000000       7.262750 
1 1 1 -26 -33 34 o 13.837  6.6615  28.164     66.111   15.285     155.158  31.021     73.077   ?       ?       14.031  6.8148  0.000000       6.814825 
1 1 1 -26 -33 35 o 11.298  5.5435  -25.5418   52.034   105.054    127.282  -51.7471   57.016   15.497  7.7752  10.874  5.4174  4.622377       9.476398 
1 1 1 -26 -33 36 o 14.488  6.7534  44.102     58.112   -38.5190   129.163  65.071     65.070   ?       ?       15.441  7.1806  0.000000       7.180577 
1 1 1 -26 -33 37 o 16.316  7.3166  77.304     59.985   216.360    138.921  45.436     66.504   17.124  8.5188  14.563  6.9207  2.561896       10.97571 
1 1 1 -26 -33 38 o 19.111  8.9578  212.924    104.601  425.057    259.826  171.893    114.270  ?       ?       17.225  8.4008  0.000000       8.400769 
1 1 1 -26 -33 39 o ?       ?       -174.3215  78.148   -147.4342  228.883  -177.8694  83.144   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -33 40 o 15.504  7.6923  91.409     110.312  474.553    276.734  19.026     120.282  ?       ?       14.269  7.2083  0.000000       7.208339 
1 1 1 -26 -33 41 o 19.598  8.2266  134.894    66.108   20.969     142.704  166.023    74.595   ?       ?       20.476  8.6744  0.000000       8.674428 
1 1 1 -26 -33 42 o 15.402  7.1910  65.893     66.306   113.558    140.958  52.349     75.137   15.437  7.7990  14.744  7.0991  0.6924162      10.54615 
1 1 1 -26 -33 43 o 16.121  7.4103  81.851     66.415   34.035     133.154  97.687     76.627   14.406  7.3084  16.396  7.6794  -1.989532      10.60121 
1 1 1 -26 -33 44 o 13.024  6.3695  7.0363     67.027   -101.3359  142.428  37.864     75.964   ?       ?       14.142  6.8869  0.000000       6.886866 
1 1 1 -26 -33 45 o 21.171  8.6146  169.680    69.480   1.7087     155.199  211.783    77.702   ?       ?       22.556  9.1348  0.000000       9.134827 
1 1 1 -26 -33 46 o 12.751  6.1952  9.6552     60.532   -208.0379  145.464  55.246     66.569   ?       ?       14.565  6.9226  0.000000       6.922639 
1 1 1 -26 -33 47 o 10.970  5.4671  -42.1282   58.323   -99.7497   133.829  -28.6185   64.801   ?       ?       11.677  5.8103  0.000000       5.810336 
1 1 1 -26 -33 48 o 14.007  6.9214  52.865     86.043   114.701    191.905  37.307     96.261   ?       ?       13.672  6.8457  0.000000       6.845736 
1 1 1 -26 -33 49 o 12.398  6.2179  -8.8939    80.968   7.1467     178.275  -13.0626   90.883   ?       ?       12.527  6.3208  0.000000       6.320846 
1 1 1 -26 -32 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -32 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -32 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -32 11 o 9.5604  4.3504  0.9123     22.141   0.0000     0.0000   0.9123     22.141   ?       ?       9.5604  4.3504  0.000000       4.350425 
1 1 1 -26 -32 12 o 17.764  6.7056  74.382     39.480   0.0000     0.0000   74.382     39.480   ?       ?       17.764  6.7056  0.000000       6.705585 
1 1 1 -26 -32 13 o 13.622  5.2042  32.206     23.962   0.0000     0.0000   32.206     23.962   ?       ?       13.622  5.2042  0.000000       5.204247 
1 1 1 -26 -32 14 o ?       ?       -210.5247  7.0779   0.0000     0.0000   -210.5247  7.0779   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -32 15 o 8.7167  4.4052  -95.6240   45.234   0.0000     0.0000   -95.6240   45.234   ?       ?       8.7167  4.4052  0.000000       4.405203 
1 1 1 -26 -32 16 o 16.432  7.9202  107.640    94.139   0.0000     0.0000   107.640    94.139   ?       ?       16.432  7.9202  0.000000       7.920155 
1 1 1 -26 -32 17 o 17.788  8.5363  169.004    106.545  0.0000     0.0000   169.004    106.545  ?       ?       17.788  8.5363  0.000000       8.536330 
1 1 1 -26 -32 18 o 16.208  7.3727  75.162     63.520   -35.6632   155.065  97.509     69.630   ?       ?       17.125  7.7623  0.000000       7.762311 
1 1 1 -26 -32 19 o 15.269  7.0159  56.331     59.455   296.999    111.107  -40.2360   70.379   21.999  9.9036  12.090  6.0223  9.909219       11.59094 
1 1 1 -26 -32 20 f 14.451  6.7467  40.888     58.362   -89.5693   126.305  76.304     65.808   ?       ?       16.145  7.4045  0.000000       7.404536 
1 1 1 -26 -32 21 o 13.098  6.2728  12.358     56.882   -27.8015   113.257  25.906     65.780   13.639  6.8998  13.880  6.6733  -0.2416010     9.598952 
1 1 1 -26 -32 22 o ?       ?       -227.6235  99.726   0.0000     0.0000   -227.6235  99.726   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -32 23 o 12.110  6.1539  -105.9667  97.291   -229.6237  195.736  -65.3916   112.122  ?       ?       13.109  6.6561  0.000000       6.656077 
1 1 1 -26 -32 24 o 20.555  8.3986  145.023    66.386   60.439     126.598  177.103    77.965   15.000  7.5551  20.914  8.8646  -5.914773      11.64735 
1 1 1 -26 -32 25 o 15.103  7.0781  55.349     65.270   -92.8886   142.119  94.973     73.477   ?       ?       16.716  7.7234  0.000000       7.723400 
1 1 1 -26 -32 26 o 13.939  6.7022  27.264     66.386   80.695     144.880  13.065     74.689   15.225  7.7132  13.642  6.6827  1.583491       10.20550 
1 1 1 -26 -32 27 o 10.925  5.4601  -60.7821   59.925   -20.1966   134.244  -70.8818   66.967   ?       ?       11.178  5.6128  0.000000       5.612801 
1 1 1 -26 -32 28 o 9.8099  4.9572  -100.6209  57.151   10.165     163.960  -115.9428  60.975   ?       ?       9.8446  4.9891  0.000000       4.989064 
1 1 1 -26 -32 29 o 14.660  6.7483  45.083     55.353   16.427     135.296  50.844     60.662   14.464  7.3408  14.937  6.9418  -0.4729052     10.10326 
1 1 1 -26 -32 30 o 11.034  5.4568  -40.1605   53.855   -17.9294   135.480  -44.3326   58.691   ?       ?       11.270  5.5949  0.000000       5.594948 
1 1 1 -26 -32 31 f 13.343  6.5391  5.1397     71.717   -3.5700    181.919  6.7423     78.037   ?       ?       13.559  6.6796  0.000000       6.679555 
1 1 1 -26 -32 32 o 14.469  7.0960  36.409     84.936   128.777    149.135  -7.9344    103.332  15.804  7.9881  13.779  6.9255  2.025111       10.57224 
1 1 1 -26 -32 33 o 15.140  7.3933  60.585     89.309   5.5331     157.139  86.852     108.543  ?       ?       15.605  7.7226  0.000000       7.722620 
1 1 1 -26 -32 34 o 16.455  7.8707  103.011    88.909   194.853    163.748  64.615     105.875  16.395  8.2944  15.166  7.5266  1.228613       11.20025 
1 1 1 -26 -32 35 o 15.386  7.1339  59.813     63.503   227.386    131.666  9.0178     72.491   17.916  8.7963  13.501  6.6075  4.415117       11.00156 
1 1 1 -26 -32 36 o 14.192  6.7031  34.471     60.577   76.362     127.603  22.283     68.827   15.304  7.6922  13.850  6.6996  1.453350       10.20069 
1 1 1 -26 -32 37 o 18.764  8.0699  119.371    66.311   150.935    139.889  110.223    75.310   16.303  8.1756  17.441  7.9701  -1.138708      11.41764 
1 1 1 -26 -32 38 o 14.978  7.4209  52.488     101.308  9.2678     134.726  108.726    153.682  14.457  7.3359  15.610  7.9118  -1.152574      10.78945 
1 1 1 -26 -32 39 o 15.728  7.8670  97.483     125.638  238.470    251.920  50.806     144.952  ?       ?       15.012  7.6165  0.000000       7.616463 
1 1 1 -26 -32 40 o ?       ?       -58.9557   130.524  -242.2251  247.657  11.529     153.586  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -32 41 o 13.741  6.4942  24.780     57.028   132.768    129.733  -1.0845    63.491   16.298  8.1278  12.938  6.2994  3.360517       10.28316 
1 1 1 -26 -32 42 o 20.592  8.7680  166.088    76.884   272.381    146.463  125.657    90.330   18.211  9.0047  17.318  8.1812  0.8934441      12.16615 
1 1 1 -26 -32 43 o 16.067  7.4583  75.941     69.705   197.186    142.286  37.654     79.957   17.012  8.4882  14.530  7.0734  2.482230       11.04910 
1 1 1 -26 -32 44 o 11.377  5.6717  -51.6440   62.983   50.732     137.269  -78.9436   70.885   14.908  7.5476  11.272  5.6743  3.635695       9.442630 
1 1 1 -26 -32 45 f 18.930  8.2965  136.177    72.886   97.418     155.674  147.059    82.486   15.300  7.7758  18.527  8.4176  -3.226687      11.45946 
1 1 1 -26 -32 46 o 14.934  7.0126  54.682     64.602   57.001     157.294  54.211     70.854   ?       ?       14.858  7.0844  0.000000       7.084364 
1 1 1 -26 -32 47 o 13.065  6.3667  9.5362     65.233   99.386     192.456  -2.1261    69.337   ?       ?       12.835  6.3179  0.000000       6.317856 
1 1 1 -26 -32 48 o 17.378  8.2710  161.413    95.689   181.641    205.199  155.792    108.170  ?       ?       16.537  8.0885  0.000000       8.088534 
1 1 1 -26 -32 49 o 11.946  5.9944  -38.4438   75.732   49.173     192.542  -54.4797   82.372   ?       ?       11.900  6.0062  0.000000       6.006230 
1 1 1 -26 -32 50 o 16.385  7.5510  107.353    69.566   -23.8586   205.997  124.243    73.908   ?       ?       16.860  7.7744  0.000000       7.774383 
1 1 1 -26 -31 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -31 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -31 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -31 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -31 10 o 9.1205  3.9981  3.9251     16.936   0.0000     0.0000   3.9251     16.936   ?       ?       9.1205  3.9981  0.000000       3.998141 
1 1 1 -26 -31 11 o ?       ?       -61.1065   7.2731   0.0000     0.0000   -61.1065   7.2731   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -31 12 o 5.1446  2.5771  -34.0237   13.716   0.0000     0.0000   -34.0237   13.716   ?       ?       5.1446  2.5771  0.000000       2.577090 
1 1 1 -26 -31 13 o 12.109  4.9664  20.699     23.324   0.0000     0.0000   20.699     23.324   ?       ?       12.109  4.9664  0.000000       4.966408 
1 1 1 -26 -31 14 f 18.042  7.7975  99.600     62.523   0.0000     0.0000   99.600     62.523   ?       ?       18.042  7.7975  0.000000       7.797516 
1 1 1 -26 -31 15 o 21.037  8.6712  156.292    71.543   0.0000     0.0000   156.292    71.543   ?       ?       21.037  8.6712  0.000000       8.671228 
1 1 1 -26 -31 16 o 16.305  7.8871  94.820     95.401   0.0000     0.0000   94.820     95.401   ?       ?       16.305  7.8871  0.000000       7.887071 
1 1 1 -26 -31 17 o 13.723  6.6435  15.249     68.027   195.467    147.629  -33.3332   76.650   17.061  8.5327  12.665  6.3047  4.395953       10.60920 
1 1 1 -26 -31 18 o 8.5135  4.3229  -118.9307  47.338   -197.0519  123.132  -105.3814  51.280   ?       ?       9.2134  4.6592  0.000000       4.659174 
1 1 1 -26 -31 19 o 13.415  6.3590  17.640     55.456   88.583     110.318  -6.3490    64.150   15.845  7.8310  12.838  6.2687  3.006611       10.03107 
1 1 1 -26 -31 20 o 10.566  5.2628  -58.5710   53.706   -73.8232   107.100  -53.4473   62.075   13.020  6.5996  11.352  5.6550  1.667151       8.691020 
1 1 1 -26 -31 21 o 13.277  6.3413  13.109     57.284   76.412     120.809  -5.2525    65.063   15.518  7.7549  12.911  6.3063  2.606977       9.995390 
1 1 1 -26 -31 22 o 13.319  6.6898  -33.0265   95.573   -205.0330  209.872  11.976     107.350  ?       ?       14.351  7.1920  0.000000       7.192012 
1 1 1 -26 -31 23 o 17.368  8.4114  150.161    109.275  193.042    231.346  137.846    123.977  ?       ?       16.621  8.2301  0.000000       8.230084 
1 1 1 -26 -31 24 o 18.564  8.1499  119.700    70.602   100.099    186.180  122.992    76.301   ?       ?       18.250  8.2123  0.000000       8.212276 
1 1 1 -26 -31 25 o 11.697  5.7773  -35.4036   59.696   -17.6749   138.546  -39.4453   66.151   14.329  7.2871  11.985  5.9482  2.343180       9.406489 
1 1 1 -26 -31 26 o 14.019  6.7257  24.605     66.037   -45.9319   144.866  43.107     74.194   ?       ?       14.809  7.1114  0.000000       7.111360 
1 1 1 -26 -31 27 f 11.357  5.6663  -57.4403   63.348   8.3311     134.011  -76.3663   71.887   14.600  7.3989  11.488  5.7741  3.112628       9.385282 
1 1 1 -26 -31 28 o 13.451  6.4482  13.901     60.431   11.858     144.619  14.333     66.516   14.722  7.4831  13.660  6.6021  1.062368       9.979214 
1 1 1 -26 -31 29 o 13.836  6.5675  23.588     59.552   15.579     138.557  25.403     65.955   14.729  7.4701  14.059  6.7390  0.6693125      10.06065 
1 1 1 -26 -31 30 o 11.445  5.7205  -60.9901   65.860   -29.4833   132.015  -71.4300   75.992   14.138  7.1827  11.829  5.9444  2.309264       9.323478 
1 1 1 -26 -31 31 o 12.464  6.1677  -28.0192   69.199   -63.4037   124.356  -12.1482   83.285   13.613  6.9211  13.413  6.6599  0.1990900      9.604953 
1 1 1 -26 -31 32 o 15.623  7.5003  66.671     82.412   88.234     129.217  51.885     106.999  15.716  7.8782  15.144  7.5243  0.5717363      10.89409 
1 1 1 -26 -31 33 o 14.904  7.2827  43.856     87.035   253.286    153.273  -55.8106   105.735  17.826  8.8809  13.267  6.7075  4.559273       11.12925 
1 1 1 -26 -31 34 o 17.103  8.0131  107.073    83.548   25.526     163.558  135.864    97.183   ?       ?       17.531  8.3417  0.000000       8.341732 
1 1 1 -26 -31 35 o 16.581  7.5484  80.363     66.746   204.204    140.349  44.168     75.875   17.458  8.6643  14.870  7.1533  2.588499       11.23566 
1 1 1 -26 -31 36 o 15.993  7.3293  67.739     64.306   121.593    135.240  52.006     73.099   16.194  8.1091  15.162  7.2199  1.031652       10.85746 
1 1 1 -26 -31 37 o 18.902  8.1409  119.367    67.670   101.742    139.896  124.751    77.317   15.852  7.9789  18.326  8.2548  -2.474165      11.48062 
1 1 1 -26 -31 38 o 14.728  6.9793  41.120     66.702   -17.3381   134.542  60.171     76.806   14.336  7.2802  15.474  7.3774  -1.137830      10.36466 
1 1 1 -26 -31 39 o 14.713  7.4338  17.113     128.089  275.959    240.538  -85.3380   151.329  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -31 40 o ?       ?       -263.0117  121.036  -332.6526  228.904  -235.9839  142.602  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -31 41 f 18.302  8.1095  113.652    71.452   106.130    145.498  116.043    82.024   15.975  8.0528  17.697  8.1710  -1.722526      11.47228 
1 1 1 -26 -31 42 o 22.713  9.3121  202.568    81.961   47.911     158.609  258.910    95.733   ?       ?       23.672  9.9164  0.000000       9.916441 
1 1 1 -26 -31 43 o ?       ?       -161.4051  57.167   -284.7916  137.327  -135.5406  62.874   ?       ?       9.7725  4.9640  0.000000       4.964029 
1 1 1 -26 -31 44 o 15.400  7.3222  56.567     74.617   41.221     154.777  61.214     85.168   15.165  7.7114  15.502  7.4870  -0.3370247     10.74805 
1 1 1 -26 -31 45 o 12.975  6.3490  -6.9470    66.837   47.301     146.075  -21.3113   75.167   15.149  7.6821  12.919  6.3989  2.230845       9.998023 
1 1 1 -26 -31 46 o 15.406  7.1722  57.958     65.207   49.158     152.858  59.916     72.095   15.081  7.6684  15.412  7.2893  -0.3303490     10.58011 
1 1 1 -26 -31 47 o 16.075  7.4067  74.628     66.897   27.966     156.849  85.003     73.961   ?       ?       16.325  7.6129  0.000000       7.612871 
1 1 1 -26 -31 48 o 21.519  9.4588  239.431    95.363   186.074    168.538  264.558    115.658  16.059  8.1544  19.859  9.3437  -3.799763      12.40161 
1 1 1 -26 -31 49 o 13.701  6.8087  14.276     87.826   172.159    197.646  -24.5682   98.036   ?       ?       13.157  6.6296  0.000000       6.629581 
1 1 1 -26 -31 50 f 12.911  6.4427  -8.1553    82.105   280.736    199.544  -67.0334   90.084   ?       ?       12.091  6.1206  0.000000       6.120627 
1 1 1 -26 -31 51 o 12.831  6.2761  12.750     65.145   75.985     160.163  0.2152     71.310   ?       ?       12.629  6.2514  0.000000       6.251443 
1 1 1 -26 -30 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -30 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -30 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -30 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -30 9  o ?       ?       -76.0559   7.7775   0.0000     0.0000   -76.0559   7.7775   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -30 10 o 8.6176  3.9472  -4.0354    18.617   0.0000     0.0000   -4.0354    18.617   ?       ?       8.6176  3.9472  0.000000       3.947191 
1 1 1 -26 -30 11 o 9.3033  4.2632  -3.1236    21.752   0.0000     0.0000   -3.1236    21.752   ?       ?       9.3033  4.2632  0.000000       4.263233 
1 1 1 -26 -30 12 o 10.331  4.4512  8.6557     20.248   0.0000     0.0000   8.6557     20.248   ?       ?       10.331  4.4512  0.000000       4.451229 
1 1 1 -26 -30 13 o 22.934  8.5934  158.284    64.592   0.0000     0.0000   158.284    64.592   ?       ?       22.934  8.5934  0.000000       8.593436 
1 1 1 -26 -30 14 o 12.886  6.2056  -0.3009    57.481   0.0000     0.0000   -0.3009    57.481   ?       ?       12.886  6.2056  0.000000       6.205640 
1 1 1 -26 -30 15 o 15.044  7.1143  45.254     68.617   0.0000     0.0000   45.254     68.617   ?       ?       15.044  7.1143  0.000000       7.114254 
1 1 1 -26 -30 16 o 17.220  7.3574  77.429     54.468   75.194     124.433  77.959     60.580   15.735  7.8642  16.904  7.4798  -1.169351      10.85328 
1 1 1 -26 -30 17 o 19.201  8.4368  133.792    75.802   278.357    149.926  84.147     87.859   18.720  9.2289  16.317  7.8098  2.402248       12.08991 
1 1 1 -26 -30 18 o 13.073  6.2331  7.7693     54.855   146.067    131.107  -21.5782   60.396   16.904  8.3866  12.264  6.0080  4.640272       10.31656 
1 1 1 -26 -30 19 o 21.322  8.3021  136.292    61.817   148.076    117.382  131.769    72.718   17.326  8.4643  19.406  8.3983  -2.080355      11.92372 
1 1 1 -26 -30 20 o 27.131  9.4813  237.833    76.865   101.729    134.681  303.579    93.607   16.114  8.0724  27.586  10.343  -11.47206      13.12051 
1 1 1 -26 -30 21 o 12.170  5.9613  -23.0795   59.392   -188.2147  117.151  34.045     68.903   ?       ?       14.606  6.9701  0.000000       6.970082 
1 1 1 -26 -30 22 o 12.215  6.2044  -121.1093  98.052   111.088    312.918  -146.3901  103.252  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -30 23 f 12.215  6.2050  -122.5056  98.299   -59.7730   262.219  -132.7628  106.031  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -30 24 o 17.146  7.8272  90.520     72.406   427.588    229.812  53.373     76.292   ?       ?       15.430  7.3554  0.000000       7.355377 
1 1 1 -26 -30 25 o 18.532  8.0977  110.619    68.976   113.697    144.401  109.709    78.513   16.290  8.1873  17.809  8.1381  -1.519278      11.54389 
1 1 1 -26 -30 26 o 11.534  5.7350  -53.3780   62.658   -101.5495  125.818  -37.4912   72.255   ?       ?       12.525  6.2162  0.000000       6.216184 
1 1 1 -26 -30 27 o 13.234  6.3233  7.6921     57.069   75.316     131.273  -8.0669    63.371   15.824  7.9335  12.934  6.2967  2.889858       10.12861 
1 1 1 -26 -30 28 o 15.804  7.3695  60.505     69.290   140.290    134.401  31.622     80.866   16.885  8.3962  14.749  7.1647  2.135656       11.03765 
1 1 1 -26 -30 29 f 12.688  6.1856  -13.0272   61.783   134.941    112.882  -76.3099   73.821   17.296  8.4166  11.743  5.8958  5.552982       10.27615 
1 1 1 -26 -30 30 o 17.815  8.0508  104.371    74.247   76.531     129.868  117.890    90.495   15.854  7.9401  17.586  8.2714  -1.731406      11.46566 
1 1 1 -26 -30 31 o 16.358  7.6016  73.860     72.720   16.826     129.026  100.411    88.033   14.952  7.5430  17.018  8.0509  -2.066005      11.03242 
1 1 1 -26 -30 32 o 13.673  6.6006  9.8658     66.026   1.6086     125.554  13.022     77.626   14.699  7.4183  14.116  6.8934  0.5825806      10.12665 
1 1 1 -26 -30 33 o 16.611  7.7321  81.467     75.750   -94.8389   163.007  130.027    85.549   ?       ?       18.343  8.4236  0.000000       8.423585 
1 1 1 -26 -30 34 o 14.479  7.0129  26.159     76.001   176.297    168.791  -12.0215   85.118   16.787  8.4859  13.656  6.7721  3.131137       10.85684 
1 1 1 -26 -30 35 o 12.556  6.0954  -10.6861   58.282   -32.0378   133.704  -5.6773    64.759   14.354  7.2860  13.064  6.3612  1.289324       9.672170 
1 1 1 -26 -30 36 o 13.144  6.3301  2.9301     59.819   15.389     128.439  -0.5208    67.597   14.889  7.5131  13.352  6.5007  1.537708       9.935079 
1 1 1 -26 -30 37 o 15.329  7.1773  50.757     66.837   74.359     130.905  42.434     77.733   15.763  7.9055  15.029  7.2325  0.7339106      10.71470 
1 1 1 -26 -30 38 o 15.309  7.2395  50.389     71.047   73.768     138.814  42.091     82.700   15.733  7.9228  15.051  7.2963  0.6819134      10.77066 
1 1 1 -26 -30 39 o 13.645  6.9233  -68.2179   119.762  -106.9470  238.131  -55.1053   138.561  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -30 40 o 16.321  8.1316  104.930    128.635  150.031    256.656  89.801     148.654  ?       ?       15.940  8.0482  0.000000       8.048158 
1 1 1 -26 -30 41 o 21.238  9.0557  176.768    82.220   330.198    263.954  160.282    86.525   ?       ?       19.757  8.8284  0.000000       8.828438 
1 1 1 -26 -30 42 o 11.943  5.8838  -34.4636   60.590   -144.4534  138.900  -8.6165    67.334   ?       ?       13.124  6.4112  0.000000       6.411231 
1 1 1 -26 -30 43 o 19.465  8.5548  137.503    77.974   300.011    152.585  80.067     90.712   19.337  9.4889  16.329  7.8470  3.008354       12.31316 
1 1 1 -26 -30 44 o 14.635  6.9989  31.465     70.246   50.136     152.527  26.439     79.138   15.547  7.8802  14.612  7.0959  0.9348078      10.60423 
1 1 1 -26 -30 45 o 14.585  7.0082  29.821     72.325   27.133     152.059  30.607     82.220   15.256  7.7466  14.760  7.1827  0.4959850      10.56413 
1 1 1 -26 -30 46 o 15.679  7.2538  57.578     65.130   71.458     152.694  54.491     72.009   15.687  7.9440  15.488  7.3130  0.1988792      10.79750 
1 1 1 -26 -30 47 o 14.427  6.8227  32.850     63.118   -53.6257   151.069  51.138     69.473   ?       ?       15.265  7.2003  0.000000       7.200293 
1 1 1 -26 -30 48 o 16.092  7.4396  71.541     68.322   -123.8854  157.897  116.560    75.784   ?       ?       18.021  8.1397  0.000000       8.139663 
1 1 1 -26 -30 49 o 14.408  7.1034  29.828     88.829   97.113     198.096  12.893     99.380   ?       ?       14.165  7.0720  0.000000       7.072018 
1 1 1 -26 -30 50 o 16.515  7.8739  108.514    87.497   -34.5271   204.022  140.751    96.856   ?       ?       17.174  8.2146  0.000000       8.214643 
1 1 1 -26 -30 51 o 16.257  7.5140  90.516     69.644   -69.4876   161.667  126.975    77.172   ?       ?       17.532  8.0325  0.000000       8.032506 
1 1 1 -26 -29 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -29 9  o 15.692  6.3457  48.540     37.437   0.0000     0.0000   48.540     37.437   ?       ?       15.692  6.3457  0.000000       6.345666 
1 1 1 -26 -29 10 o 14.485  6.5627  34.332     49.700   0.0000     0.0000   34.332     49.700   ?       ?       14.485  6.5627  0.000000       6.562700 
1 1 1 -26 -29 11 o 7.5808  3.5928  -13.6486   17.687   0.0000     0.0000   -13.6486   17.687   ?       ?       7.5808  3.5928  0.000000       3.592840 
1 1 1 -26 -29 12 o 8.4214  3.7887  -1.5112    16.231   0.0000     0.0000   -1.5112    16.231   ?       ?       8.4214  3.7887  0.000000       3.788746 
1 1 1 -26 -29 13 o 11.418  5.5432  -23.2694   48.201   0.0000     0.0000   -23.2694   48.201   ?       ?       11.418  5.5432  0.000000       5.543165 
1 1 1 -26 -29 14 o 14.837  6.9400  38.136     62.223   0.0000     0.0000   38.136     62.223   ?       ?       14.837  6.9400  0.000000       6.940001 
1 1 1 -26 -29 15 o 12.859  6.1447  1.3299     53.934   -26.4823   118.434  8.6068     60.580   14.289  7.2107  13.489  6.4639  0.7997952      9.683816 
1 1 1 -26 -29 16 o 36.937  7.6896  287.673    66.677   409.655    128.286  242.523    78.047   25.762  11.152  27.689  9.5608  -1.927647      14.68908 
1 1 1 -26 -29 17 o 14.942  7.0706  38.655     67.973   -106.6423  130.623  92.612     79.600   ?       ?       17.139  7.9607  0.000000       7.960693 
1 1 1 -26 -29 18 o 13.418  6.3577  11.669     55.310   -67.5805   126.608  30.361     61.488   13.950  7.0818  14.487  6.8153  -0.5375500     9.828590 
1 1 1 -26 -29 19 o 16.537  7.2745  65.988     56.495   -28.4123   107.535  101.977    66.397   14.082  7.0760  18.413  7.9965  -4.330627      10.67776 
1 1 1 -26 -29 20 o 14.023  6.6456  19.974     60.491   32.374     106.242  14.026     73.584   15.209  7.5463  14.189  6.8793  1.019917       10.21134 
1 1 1 -26 -29 21 o 20.761  8.6577  143.968    72.503   219.174    147.314  119.928    83.289   18.293  9.0425  18.338  8.3806  -0.4497719E-01 12.32887 
1 1 1 -26 -29 22 o 14.688  7.4301  -22.6275   131.172  -50.6248   322.672  -17.0848   143.570  ?       ?       14.919  7.5706  0.000000       7.570599 
1 1 1 -26 -29 23 o 16.288  8.1180  82.690     128.611  -39.3641   323.347  105.629    140.177  ?       ?       16.586  8.2983  0.000000       8.298337 
1 1 1 -26 -29 24 f 14.210  7.1359  -28.3851   108.378  -40.1491   312.400  -26.7756   115.555  ?       ?       14.397  7.2471  0.000000       7.247139 
1 1 1 -26 -29 25 o 16.588  7.4137  66.671     61.046   258.056    145.833  26.009     67.219   19.316  9.4361  14.560  6.9305  4.756455       11.70777 
1 1 1 -26 -29 26 o 13.590  6.4684  9.7136     58.541   140.626    130.915  -23.0058   65.449   17.425  8.5967  12.749  6.2475  4.676050       10.62709 
1 1 1 -26 -29 27 f 16.113  7.4205  59.779     67.030   -62.9020   128.169  105.966    78.642   14.204  7.2018  18.081  8.2166  -3.877642      10.92607 
1 1 1 -26 -29 28 o 11.334  5.6518  -67.0485   62.666   -163.4448  109.394  -19.9646   76.454   ?       ?       13.391  6.5997  0.000000       6.599715 
1 1 1 -26 -29 29 f 11.447  5.6947  -60.9352   62.121   -74.9686   110.647  -54.4756   75.069   13.583  6.8668  12.460  6.2088  1.122799       9.257526 
1 1 1 -26 -29 30 o 19.112  8.3003  115.822    71.535   116.533    129.135  115.507    85.924   16.980  8.4063  18.148  8.3733  -1.168053      11.86504 
1 1 1 -26 -29 31 o 14.395  6.8089  24.720     62.928   85.940     133.224  7.1388     71.395   16.369  8.1745  13.986  6.7798  2.382595       10.62024 
1 1 1 -26 -29 32 o 12.894  6.2730  -13.1574   62.622   54.761     137.167  -31.0408   70.386   15.854  7.9699  12.771  6.3011  3.083988       10.15983 
1 1 1 -26 -29 33 o 13.589  6.6198  -3.0426    70.378   -75.4185   158.991  14.595     78.487   ?       ?       14.406  7.0119  0.000000       7.011926 
1 1 1 -26 -29 34 o 19.882  8.8065  150.426    84.185   25.989     176.328  187.166    95.810   ?       ?       20.590  9.2390  0.000000       9.238990 
1 1 1 -26 -29 35 o 10.619  5.3433  -95.7580   62.507   -14.0696   148.202  -113.4339  68.939   14.985  7.6128  10.782  5.4480  4.203435       9.361397 
1 1 1 -26 -29 36 o 18.682  8.0737  105.808    67.018   44.620     136.802  125.129    76.874   15.612  7.8624  19.065  8.4313  -3.452288      11.52845 
1 1 1 -26 -29 37 o 15.450  7.1611  48.805     63.914   125.039    138.773  28.281     72.005   16.818  8.3902  14.659  7.0303  2.159450       10.94623 
1 1 1 -26 -29 38 o 17.600  7.9877  95.779     74.012   148.687    146.613  77.685     85.739   17.062  8.5288  16.461  7.8332  0.6009388      11.58010 
1 1 1 -26 -29 39 o 18.459  9.0642  216.622    140.007  431.489    261.976  130.718    165.647  ?       ?       16.572  8.3800  0.000000       8.379973 
1 1 1 -26 -29 40 o 16.498  8.2409  104.898    135.757  242.317    254.493  50.242     160.500  ?       ?       15.699  7.9703  0.000000       7.970284 
1 1 1 -26 -29 41 o 13.864  7.0302  -69.6320   122.264  -98.6249   246.456  -60.1675   140.813  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -29 42 o 17.195  7.8112  85.043     70.989   -96.9725   146.946  140.455    81.078   ?       ?       19.559  8.6539  0.000000       8.653910 
1 1 1 -26 -29 43 o 14.105  6.7815  15.197     67.955   -84.2126   142.784  44.308     77.268   ?       ?       15.349  7.3403  0.000000       7.340274 
1 1 1 -26 -29 44 f 17.128  7.8726  84.938     74.944   205.907    154.679  47.829     85.672   17.940  8.9348  15.551  7.5104  2.388499       11.67206 
1 1 1 -26 -29 45 o 14.724  7.3421  4.1172     105.773  106.380    149.739  -97.7287   149.433  16.524  8.3090  ?       ?       0.000000       8.308956 
1 1 1 -26 -29 46 o 17.552  7.8272  88.036     67.647   28.808     153.720  102.261    75.334   15.515  7.8690  17.947  8.1101  -2.431787      11.30022 
1 1 1 -26 -29 47 o 13.936  6.6523  16.346     62.847   36.003     138.928  11.288     70.470   15.456  7.8009  13.995  6.7720  1.461024       10.33020 
1 1 1 -26 -29 48 o 14.579  6.9052  32.159     65.131   -17.6656   147.410  44.244     72.602   14.773  7.5135  15.159  7.2119  -0.3856039     10.41460 
1 1 1 -26 -29 49 o 13.706  6.7880  -7.0235    84.463   -44.4027   177.763  3.8758     95.990   ?       ?       14.224  7.0766  0.000000       7.076575 
1 1 1 -26 -29 50 f 12.509  6.2571  -46.3483   79.520   -337.2060  175.390  28.911     89.217   ?       ?       14.520  7.1509  0.000000       7.150875 
1 1 1 -26 -29 51 o 15.615  7.3068  67.737     69.088   73.219     160.049  66.481     76.591   ?       ?       15.429  7.3589  0.000000       7.358912 
1 1 1 -26 -29 52 o 17.290  7.8415  110.586    71.169   156.536    153.097  97.919     80.381   15.685  7.9442  16.193  7.6702  -0.5087433     11.04275 
1 1 1 -26 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -28 9  o 19.178  7.1138  82.410     44.045   0.0000     0.0000   82.410     44.045   ?       ?       19.178  7.1138  0.000000       7.113813 
1 1 1 -26 -28 10 o 23.298  7.7673  128.347    51.459   0.0000     0.0000   128.347    51.459   ?       ?       23.298  7.7673  0.000000       7.767263 
1 1 1 -26 -28 11 o ?       ?       -277.1887  9.1257   0.0000     0.0000   -277.1887  9.1257   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -28 12 o ?       ?       -418.5139  11.475   0.0000     0.0000   -418.5139  11.475   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -28 13 o 8.6387  4.3649  -101.0961  44.211   -36.0433   162.372  -106.3051  45.947   ?       ?       8.7345  4.4164  0.000000       4.416413 
1 1 1 -26 -28 14 f 28.524  8.5028  200.622    63.278   56.824     132.363  243.222    72.044   15.899  7.9706  30.316  9.0808  -14.41623      12.08270 
1 1 1 -26 -28 15 o 16.708  7.2341  64.898     54.008   45.717     109.065  71.130     62.166   15.663  7.7491  16.851  7.5100  -1.188968      10.79117 
1 1 1 -26 -28 16 o 13.610  6.3627  15.766     52.186   -23.9657   103.508  29.308     60.428   14.223  7.1179  14.579  6.8255  -0.3558912     9.861636 
1 1 1 -26 -28 17 o 16.011  7.3997  56.754     67.508   161.594    123.675  12.260     80.570   18.193  8.8431  14.484  7.0617  3.709648       11.31670 
1 1 1 -26 -28 18 o 19.978  8.6599  135.844    77.576   82.771     141.378  158.708    92.794   16.435  8.2388  19.843  8.9807  -3.407757      12.18732 
1 1 1 -26 -28 19 o 18.856  7.7046  91.107     55.870   212.243    107.960  46.799     65.293   20.941  9.5591  15.598  7.2328  5.343224       11.98702 
1 1 1 -26 -28 20 o 19.565  8.0135  104.340    60.623   27.079     123.702  128.761    69.547   15.607  7.8062  20.494  8.5071  -4.887464      11.54594 
1 1 1 -26 -28 21 o 13.685  6.6292  -2.7267    67.970   -51.8252   320.949  -0.4212    69.548   ?       ?       13.833  6.7022  0.000000       6.702186 
1 1 1 -26 -28 22 o 18.012  8.6564  127.198    110.423  152.501    159.926  104.145    152.651  17.521  8.7802  16.904  8.4860  0.6165161      12.21079 
1 1 1 -26 -28 23 o 19.199  9.3976  226.577    146.806  18.108     344.355  272.882    162.293  ?       ?       19.465  9.5976  0.000000       9.597617 
1 1 1 -26 -28 24 o 13.593  6.7437  -34.8203   84.770   -135.5774  320.541  -27.2435   87.900   ?       ?       13.894  6.8887  0.000000       6.888740 
1 1 1 -26 -28 25 o 12.336  6.0295  -30.1305   59.779   -17.2349   144.454  -32.7953   65.666   15.369  7.7768  12.654  6.2126  2.714686       9.953647 
1 1 1 -26 -28 26 o 11.768  5.8130  -50.3557   60.529   22.025     116.579  -77.0687   70.823   15.627  7.7788  11.856  5.9265  3.771681       9.779204 
1 1 1 -26 -28 27 o 16.299  7.5087  56.792     68.709   210.664    129.261  -3.8063    81.118   19.770  9.4650  14.275  6.9868  5.494937       11.76444 
1 1 1 -26 -28 28 o 16.041  7.4228  51.582     68.248   49.098     128.789  52.552     80.476   16.212  8.0868  16.113  7.6446  0.9865379E-01  11.12818 
1 1 1 -26 -28 29 o 15.544  7.1309  42.931     61.095   26.546     121.340  48.496     70.712   15.754  7.8569  15.894  7.4225  -0.1400099     10.80856 
1 1 1 -26 -28 30 o 16.088  7.3286  52.954     63.050   -9.0719    220.356  58.485     65.801   ?       ?       16.376  7.4705  0.000000       7.470486 
1 1 1 -26 -28 31 f 12.860  6.2117  -12.9015   58.663   168.135    126.037  -62.9668   66.280   18.687  9.0459  11.844  5.8908  6.843019       10.79489 
1 1 1 -26 -28 32 o 14.013  6.6467  12.845     60.763   171.684    129.468  -32.0262   68.813   18.608  9.0454  12.838  6.3143  5.769705       11.03131 
1 1 1 -26 -28 33 o 14.834  7.0865  24.772     71.619   -140.2969  159.473  66.475     80.157   ?       ?       16.546  7.7832  0.000000       7.783173 
1 1 1 -26 -28 34 o 20.760  9.3397  184.646    98.627   308.613    166.594  117.751    122.378  19.772  9.7441  17.428  8.5409  2.344828       12.95744 
1 1 1 -26 -28 35 f 13.247  6.5792  -39.5107   81.533   -204.9459  141.350  42.975     99.810   ?       ?       15.736  7.7124  0.000000       7.712399 
1 1 1 -26 -28 36 o 19.876  8.4718  124.631    71.910   103.629    141.664  131.920    83.462   16.815  8.4022  19.312  8.6472  -2.496580      12.05698 
1 1 1 -26 -28 37 o 15.224  7.1269  39.501     65.855   68.836     141.744  31.426     74.370   16.235  8.1537  15.021  7.1884  1.213850       10.86992 
1 1 1 -26 -28 38 o 15.588  7.2863  47.382     68.383   156.897    141.049  13.731     78.186   17.656  8.7489  14.488  7.0397  3.167197       11.22951 
1 1 1 -26 -28 39 o 18.166  8.6561  136.059    105.440  147.519    146.980  123.907    151.345  17.352  8.6529  16.929  8.4918  0.4226074      12.12367 
1 1 1 -26 -28 40 o 20.645  9.8495  284.205    137.393  270.859    256.585  289.570    162.681  ?       ?       19.271  9.5216  0.000000       9.521577 
1 1 1 -26 -28 41 o 14.152  7.1808  -72.0258   128.982  -181.0707  231.115  -22.6993   155.441  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -28 42 f 18.699  8.2982  112.068    75.094   130.415    150.676  106.004    86.617   17.019  8.5277  17.795  8.2782  -0.7759552     11.88492 
1 1 1 -26 -28 43 o 11.206  5.6193  -84.7547   66.001   -104.3340  140.045  -79.1643   74.833   ?       ?       11.944  5.9884  0.000000       5.988392 
1 1 1 -26 -28 44 o 12.487  6.1650  -38.7178   67.740   -74.7318   136.706  -26.9972   77.988   14.339  7.2870  13.344  6.5928  0.9952517      9.826796 
1 1 1 -26 -28 45 f 20.268  9.4470  207.477    113.685  160.852    157.371  258.366    164.409  17.508  8.7642  18.853  9.3600  -1.345036      12.82267 
1 1 1 -26 -28 46 o 16.543  7.5388  65.352     66.803   -84.2380   153.802  100.136    74.165   ?       ?       18.187  8.1468  0.000000       8.146788 
1 1 1 -26 -28 47 o 14.095  6.6779  17.353     60.999   -160.6641  143.026  56.932     67.440   ?       ?       16.060  7.4129  0.000000       7.412928 
1 1 1 -26 -28 48 o 12.887  6.2784  -15.3988   63.351   6.0648     146.528  -20.3333   70.257   15.320  7.7606  13.098  6.4296  2.221616       10.07799 
1 1 1 -26 -28 49 o 13.764  6.7694  -6.7833    79.044   -39.2657   177.145  1.2919     88.324   ?       ?       14.248  7.0354  0.000000       7.035388 
1 1 1 -26 -28 50 o 14.518  7.1336  18.802     87.133   -113.4456  168.131  67.364     101.883  ?       ?       15.841  7.7692  0.000000       7.769168 
1 1 1 -26 -28 51 o 17.257  7.8277  94.756     70.952   151.486    156.667  80.118     79.581   16.431  8.2916  16.264  7.6820  0.1666718      11.30327 
1 1 1 -26 -28 52 o 17.120  7.7390  95.920     68.664   124.238    150.495  88.476     77.163   15.799  7.9890  16.361  7.6768  -0.5616169     11.07960 
1 1 1 -26 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -27 9  o 10.822  4.9959  -2.3268    30.646   0.0000     0.0000   -2.3268    30.646   ?       ?       10.822  4.9959  0.000000       4.995922 
1 1 1 -26 -27 10 o 15.705  7.5540  46.093     84.552   0.0000     0.0000   46.093     84.552   ?       ?       15.705  7.5540  0.000000       7.554050 
1 1 1 -26 -27 11 o ?       ?       -425.0903  10.983   0.0000     0.0000   -425.0903  10.983   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -27 12 o 14.412  7.0379  6.3398     80.914   -52.1966   137.907  37.070     99.920   14.682  7.4469  15.585  7.6539  -0.9032278     10.67883 
1 1 1 -26 -27 13 o 12.082  5.7817  -11.7221   48.116   101.090    109.442  -38.7525   53.571   17.220  8.3584  11.485  5.6333  5.735050       10.07949 
1 1 1 -26 -27 14 o 22.749  7.9487  125.868    54.023   58.810     112.330  146.044    61.616   16.210  7.9911  23.369  8.4550  -7.158569      11.63380 
1 1 1 -26 -27 15 o 14.582  6.6757  29.665     53.158   63.678     105.301  18.033     61.581   16.379  8.0048  14.270  6.7454  2.109222       10.46796 
1 1 1 -26 -27 16 o 10.988  5.4004  -45.0803   50.044   -32.4911   93.439   -50.1440   59.259   13.991  6.9642  11.660  5.7585  2.330538       9.036551 
1 1 1 -26 -27 17 o 15.855  7.3622  47.288     68.009   67.441     125.475  38.904     80.928   16.573  8.2192  15.641  7.4887  0.9310999      11.11914 
1 1 1 -26 -27 18 o 14.522  6.8996  17.374     66.022   -33.9091   122.140  38.544     78.475   14.862  7.4771  15.650  7.4601  -0.7882252     10.56215 
1 1 1 -26 -27 19 o 17.282  7.5409  68.857     59.631   -1.4536    125.467  89.373     67.774   15.485  7.7626  18.322  8.0158  -2.836596      11.15848 
1 1 1 -26 -27 20 o 25.303  8.6445  163.637    63.748   313.458    130.707  116.877    73.022   23.534  10.654  19.853  8.5014  3.680765       13.63033 
1 1 1 -26 -27 21 f 13.454  6.4490  -4.8407    60.418   94.915     138.488  -28.2902   67.144   17.325  8.5997  13.033  6.3744  4.291980       10.70456 
1 1 1 -26 -27 22 o 19.811  9.2679  164.004    111.022  94.971     151.488  244.103    163.180  17.318  8.6589  19.613  9.6614  -2.294767      12.97375 
1 1 1 -26 -27 23 o 20.618  9.2705  160.380    97.019   62.557     318.987  170.352    101.843  ?       ?       20.714  9.3888  0.000000       9.388801 
1 1 1 -26 -27 24 o 14.912  7.3216  -3.1852    91.253   0.0000     0.0000   -3.1852    91.253   ?       ?       14.912  7.3216  0.000000       7.321589 
1 1 1 -26 -27 25 o 13.063  6.2283  -7.1084    54.756   -35.9242   117.451  0.8939     61.894   14.991  7.5141  13.854  6.6101  1.136249       10.00771 
1 1 1 -26 -27 26 f 14.934  6.9147  26.360     59.359   22.692     123.586  27.460     67.677   16.149  8.0338  15.245  7.1649  0.9037733      10.76469 
1 1 1 -26 -27 27 o 12.265  5.9289  -24.3270   53.708   181.666    126.000  -70.0649   59.372   19.837  9.4551  11.274  5.6022  8.562179       10.99010 
1 1 1 -26 -27 28 o 14.954  6.8745  28.197     57.173   -115.2347  140.455  56.683     62.594   14.532  7.3852  16.685  7.4786  -2.153666      10.51047 
1 1 1 -26 -27 29 o 14.444  6.8714  10.675     65.885   65.545     342.692  8.5694     67.137   ?       ?       14.414  6.8790  0.000000       6.878964 
1 1 1 -26 -27 30 o 24.744  8.9230  165.936    68.544   154.820    152.154  168.766    76.775   18.375  9.1021  23.476  9.2205  -5.101467      12.95629 
1 1 1 -26 -27 31 o 20.590  8.5438  121.278    70.112   175.980    149.153  105.762    79.435   18.774  9.2457  18.926  8.4578  -0.1518288     12.53070 
1 1 1 -26 -27 32 o 14.153  6.8414  -1.7455    71.495   85.330     127.401  -41.7730   86.379   17.231  8.4975  13.714  6.8045  3.517553       10.88620 
1 1 1 -26 -27 33 o 15.029  7.3347  9.6047     87.528   55.635     147.728  -15.2958   108.654  16.639  8.3519  14.994  7.4710  1.644649       11.20582 
1 1 1 -26 -27 34 o 14.517  7.1103  -3.8418    84.448   159.679    149.869  -79.9155   102.222  18.220  9.0269  13.586  6.8360  4.634363       11.32327 
1 1 1 -26 -27 35 o 17.099  8.1734  78.548     95.574   28.751     161.337  105.469    118.629  16.218  8.2078  17.565  8.5653  -1.347513      11.86305 
1 1 1 -26 -27 36 o 16.650  7.7546  63.747     76.359   54.905     138.097  67.641     91.643   16.415  8.2159  16.707  7.9909  -0.2920265     11.46106 
1 1 1 -26 -27 37 o 19.669  8.4400  116.991    72.237   41.271     142.452  143.203    83.813   16.164  8.1250  20.273  8.8905  -4.109016      12.04389 
1 1 1 -26 -27 38 o 17.082  7.7582  72.897     69.986   17.884     143.756  89.986     80.123   15.792  7.9661  17.661  8.1258  -1.868829      11.37927 
1 1 1 -26 -27 39 o 15.505  7.3019  40.835     70.933   199.884    141.326  -12.7235   82.011   18.840  9.2215  14.009  6.8909  4.830877       11.51173 
1 1 1 -26 -27 40 o 16.770  8.3129  86.026     127.758  62.784     277.575  92.273     143.907  ?       ?       16.786  8.3998  0.000000       8.399817 
1 1 1 -26 -27 41 o 17.655  8.6530  128.712    125.684  380.802    274.076  61.583     141.431  ?       ?       16.302  8.1815  0.000000       8.181498 
1 1 1 -26 -27 42 o 16.558  7.6512  65.055     72.137   -95.7188   145.795  117.173    83.010   ?       ?       18.733  8.4849  0.000000       8.484851 
1 1 1 -26 -27 43 o 17.367  7.7762  78.231     67.497   -56.1183   145.740  114.918    76.157   14.845  7.5423  19.058  8.4120  -4.212902      11.29814 
1 1 1 -26 -27 44 o 13.852  6.6424  5.4987     64.244   140.257    146.941  -26.3488   71.433   17.536  8.7298  13.142  6.4577  4.394467       10.85869 
1 1 1 -26 -27 45 o 15.326  7.1514  38.190     65.432   -77.4269   149.271  65.690     72.799   ?       ?       16.650  7.6909  0.000000       7.690933 
1 1 1 -26 -27 46 o 15.761  7.2941  46.493     65.928   -0.5890    150.764  57.626     73.309   15.637  7.9160  16.302  7.5943  -0.6646986     10.96980 
1 1 1 -26 -27 47 o 14.158  6.7442  12.676     63.903   39.801     142.889  5.8944     71.446   16.076  8.0878  14.193  6.8556  1.882228       10.60245 
1 1 1 -26 -27 48 o 14.538  6.8955  21.503     65.401   273.482    145.695  -42.0828   73.189   20.247  9.7820  12.803  6.3367  7.443845       11.65509 
1 1 1 -26 -27 49 o 14.966  7.2656  23.902     82.789   -8.6141    180.707  32.539     93.138   ?       ?       15.376  7.5174  0.000000       7.517364 
1 1 1 -26 -27 50 o 15.654  7.5443  49.238     85.358   -32.9785   184.833  71.526     96.235   ?       ?       16.316  7.8995  0.000000       7.899513 
1 1 1 -26 -27 51 o 13.206  6.4142  -4.3853    64.741   -197.9761  147.811  41.570     72.016   ?       ?       15.108  7.1862  0.000000       7.186182 
1 1 1 -26 -27 52 o 14.577  6.8842  36.099     63.871   -93.0318   144.648  67.375     71.187   ?       ?       15.956  7.4501  0.000000       7.450054 
1 1 1 -26 -27 53 o 11.622  5.7611  -39.1956   61.345   -261.1093  149.271  5.8998     67.290   ?       ?       13.275  6.4683  0.000000       6.468295 
1 1 1 -26 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -26 9  o 13.145  5.7170  20.935     34.033   0.0000     0.0000   20.935     34.033   ?       ?       13.145  5.7170  0.000000       5.716955 
1 1 1 -26 -26 10 o 21.907  9.6920  209.083    101.676  0.0000     0.0000   209.083    101.676  ?       ?       21.907  9.6920  0.000000       9.691984 
1 1 1 -26 -26 11 o 13.277  6.0259  15.977     42.125   89.928     181.936  11.788     43.302   16.783  8.5169  13.075  6.0003  3.707426       10.41837 
1 1 1 -26 -26 12 o 7.5828  3.8333  -91.3017   34.474   -29.2217   84.997   -103.5247  37.715   13.803  6.8313  7.7759  3.9389  6.027334       7.885541 
1 1 1 -26 -26 13 o 12.909  5.9952  6.2613     45.125   -38.4568   99.133   17.949     50.680   14.180  7.0769  13.931  6.4287  0.2498112      9.560897 
1 1 1 -26 -26 14 o 22.517  7.8610  118.213    52.832   24.686     105.166  149.785    61.102   15.727  7.7487  24.379  8.4571  -8.652314      11.47019 
1 1 1 -26 -26 15 o 14.069  6.4118  20.856     48.329   76.325     96.357   2.2114     55.864   17.178  8.2100  13.485  6.3894  3.692783       10.40330 
1 1 1 -26 -26 16 o 13.406  6.3129  3.4665     52.998   -21.0735   97.461   13.770     63.151   14.648  7.2610  14.425  6.8225  0.2229271      9.963346 
1 1 1 -26 -26 17 o 15.199  7.0883  28.568     64.137   22.890     118.061  30.946     76.392   16.090  7.9785  15.610  7.4183  0.4792976      10.89441 
1 1 1 -26 -26 18 o 16.600  7.6934  53.470     73.746   124.067    157.238  33.561     83.500   17.994  8.9691  15.914  7.6160  2.079518       11.76640 
1 1 1 -26 -26 19 o 24.734  8.7489  156.319    65.587   151.277    132.898  157.942    75.410   19.041  9.2349  23.179  9.1271  -4.137331      12.98408 
1 1 1 -26 -26 20 o 13.907  6.5455  5.4909     56.839   49.704     116.768  -8.2379    65.068   16.887  8.2893  13.810  6.6390  3.076089       10.62021 
1 1 1 -26 -26 21 o 17.497  7.8017  66.428     67.176   70.087     138.499  65.302     76.817   17.435  8.6452  17.354  7.9741  0.8160973E-01  11.76119 
1 1 1 -26 -26 22 o 24.320  8.5590  144.368    62.695   14.944     148.722  172.339    69.139   16.660  8.3649  25.932  8.9961  -9.272430      12.28417 
1 1 1 -26 -26 23 o 12.647  6.3097  -81.9363   78.561   -73.7029   299.892  -82.5429   81.404   ?       ?       12.821  6.4006  0.000000       6.400625 
1 1 1 -26 -26 24 o 17.686  8.3555  72.236     94.241   123.930    319.721  67.317     98.623   ?       ?       17.505  8.3496  0.000000       8.349648 
1 1 1 -26 -26 25 o 29.499  8.6894  197.545    66.398   307.139    140.069  165.780    75.410   23.848  10.887  24.284  9.2431  -0.4356194     14.28139 
1 1 1 -26 -26 26 o 13.161  6.2908  -12.8743   56.596   288.563    315.393  -22.9037   57.530   ?       ?       12.824  6.1838  0.000000       6.183819 
1 1 1 -26 -26 27 o 29.314  8.6120  193.282    65.299   236.534    147.724  182.778    72.797   21.107  10.109  26.353  9.2259  -5.246103      13.68597 
1 1 1 -26 -26 28 o 28.532  8.6872  187.257    65.540   297.477    153.225  162.576    72.508   22.397  10.603  24.466  9.1171  -2.068872      13.98387 
1 1 1 -26 -26 29 o 16.919  7.5955  54.953     64.838   98.087     343.058  53.356     66.028   ?       ?       16.832  7.6006  0.000000       7.600607 
1 1 1 -26 -26 30 o 16.162  7.4314  41.325     66.869   349.330    146.722  -39.4230   75.124   24.483  11.163  13.469  6.6193  11.01417       12.97834 
1 1 1 -26 -26 31 o 12.925  6.2800  -28.3444   62.200   -85.7857   123.275  -8.7260    72.043   14.644  7.3858  14.220  6.8724  0.4239359      10.08863 
1 1 1 -26 -26 32 o 11.424  5.6672  -69.1883   59.794   -44.9567   121.981  -76.8526   68.602   15.183  7.6170  11.979  5.9636  3.204117       9.673808 
1 1 1 -26 -26 33 o 19.384  8.9004  122.783    95.465   205.799    159.270  76.234     119.263  19.535  9.6077  17.456  8.5284  2.079245       12.84681 
1 1 1 -26 -26 34 o 17.748  8.3823  83.387     94.712   37.466     158.310  108.986    118.199  16.780  8.4513  18.202  8.7982  -1.421928      12.19970 
1 1 1 -26 -26 35 f 12.538  6.2981  -98.7342   84.797   -278.2098  136.188  14.901     108.366  ?       ?       15.809  7.8036  0.000000       7.803635 
1 1 1 -26 -26 36 o 11.118  5.5596  -86.9140   62.550   -161.7287  129.006  -63.9206   71.518   ?       ?       12.388  6.1542  0.000000       6.154242 
1 1 1 -26 -26 37 o 15.625  7.1031  40.565     58.846   -38.5326   141.070  57.227     64.748   15.366  7.7670  16.615  7.5125  -1.248779      10.80568 
1 1 1 -26 -26 38 o 30.449  9.3048  240.452    75.093   379.974    156.243  198.543    85.632   23.041  10.847  24.050  9.6421  -1.008869      14.51271 
1 1 1 -26 -26 39 o 15.758  7.2584  43.495     64.163   58.190     142.073  39.730     71.915   16.603  8.3134  15.683  7.3754  0.9197235      11.11349 
1 1 1 -26 -26 40 o 14.983  7.4078  -0.3444    99.064   622.573    286.843  -84.7037   105.559  ?       ?       13.608  6.8596  0.000000       6.859621 
1 1 1 -26 -26 41 o 19.448  9.0926  157.031    106.586  36.675     298.699  174.592    114.097  ?       ?       19.659  9.2590  0.000000       9.258987 
1 1 1 -26 -26 42 o 13.113  6.3399  -12.6323   61.457   -15.9425   142.322  -11.8736   68.138   15.449  7.8083  13.517  6.5685  1.932756       10.20364 
1 1 1 -26 -26 43 f 9.3794  4.7543  -132.6072  55.579   -179.4439  131.238  -122.3709  61.353   ?       ?       10.149  5.1290  0.000000       5.128993 
1 1 1 -26 -26 44 o 14.175  6.7428  11.596     63.421   -67.0131   143.124  30.802     70.745   14.855  7.5401  15.206  7.2005  -0.3512182     10.42599 
1 1 1 -26 -26 45 o 16.901  8.0390  71.911     90.116   111.481    151.761  50.359     112.000  17.295  8.6500  16.284  8.0181  1.010735       11.79460 
1 1 1 -26 -26 46 o 13.590  6.5685  -7.6939    65.866   83.534     150.372  -29.3527   73.269   16.948  8.4960  13.298  6.5357  3.649268       10.71902 
1 1 1 -26 -26 47 o 15.128  7.1309  28.937     67.937   113.216    144.346  4.9561     76.998   17.472  8.6904  14.512  7.0362  2.960175       11.18172 
1 1 1 -26 -26 48 o 18.616  8.1651  96.836     70.717   207.320    151.488  66.052     79.964   18.984  9.3434  16.780  7.8546  2.204905       12.20627 
1 1 1 -26 -26 49 o 10.928  5.5423  -147.9040  76.229   -287.5669  164.677  -109.8162  85.998   ?       ?       12.203  6.1566  0.000000       6.156553 
1 1 1 -26 -26 50 o 11.045  5.6089  -154.0279  79.893   -56.5873   175.049  -179.6654  89.790   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -26 51 o ?       ?       -159.5630  62.184   28.923     183.598  -183.9873  66.091   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -26 52 o 12.036  5.9666  -45.5978   65.841   -10.2027   160.336  -52.7771   72.210   ?       ?       12.245  6.0996  0.000000       6.099578 
1 1 1 -26 -26 53 o 16.879  7.7309  86.937     71.403   -207.9683  170.116  150.002    78.668   ?       ?       19.805  8.6511  0.000000       8.651060 
1 1 1 -26 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -25 8  o 20.283  7.4647  92.657     48.322   0.0000     0.0000   92.657     48.322   ?       ?       20.283  7.4647  0.000000       7.464717 
1 1 1 -26 -25 9  o 17.855  6.6972  63.501     39.251   0.0000     0.0000   63.501     39.251   ?       ?       17.855  6.6972  0.000000       6.697243 
1 1 1 -26 -25 10 o 11.948  5.7100  -15.2620   46.590   9.2280     57.685   -61.2112   79.015   13.903  6.5587  12.862  6.4028  1.040439       9.165828 
1 1 1 -26 -25 11 o 20.474  7.8252  100.044    54.189   156.954    188.025  94.888     56.590   17.862  9.0224  19.714  7.8608  -1.852129      11.96649 
1 1 1 -26 -25 12 o 23.449  7.2683  112.365    45.634   148.919    103.527  103.549    50.840   19.765  9.1445  21.392  7.6881  -1.627104      11.94688 
1 1 1 -26 -25 13 o 16.289  6.8745  49.393     46.568   59.449     97.564   46.426     52.994   16.869  8.1141  16.057  7.0547  0.8120537      10.75211 
1 1 1 -26 -25 14 o 27.877  7.8900  163.471    55.774   189.655    107.815  153.904    65.172   21.500  9.7102  24.555  8.7173  -3.054710      13.04913 
1 1 1 -26 -25 15 o 17.912  7.3354  67.053     50.787   149.275    100.684  38.993     58.818   20.380  9.2751  15.799  7.1504  4.580827       11.71135 
1 1 1 -26 -25 16 o 11.571  5.6145  -34.5669   49.295   -92.7776   94.261   -12.6542   57.833   13.354  6.6988  13.224  6.3313  0.1293545      9.217311 
1 1 1 -26 -25 17 o 19.865  8.6538  109.150    78.247   59.250     167.378  123.105    88.514   17.511  8.8025  20.096  8.9583  -2.585564      12.55931 
1 1 1 -26 -25 18 o 21.994  9.1586  143.264    80.972   116.752    166.268  151.507    92.708   18.450  9.2009  21.478  9.3863  -3.027880      13.14380 
1 1 1 -26 -25 19 o 40.932  7.7310  318.787    73.969   259.552    137.109  343.105    87.851   22.842  10.553  38.767  9.4298  -15.92534      14.15194 
1 1 1 -26 -25 20 o 12.422  5.9566  -22.5948   51.637   -7.7113    112.256  -26.5894   58.155   15.992  7.9029  12.840  6.1977  3.152047       10.04326 
1 1 1 -26 -25 21 o 13.742  6.5438  -8.6906    60.048   -210.4995  125.661  51.030     68.358   ?       ?       17.013  7.7034  0.000000       7.703395 
1 1 1 -26 -25 22 o 11.592  5.6549  -44.8032   51.861   26.215     110.144  -65.0329   58.786   16.826  8.2154  11.631  5.7425  5.194654       10.02341 
1 1 1 -26 -25 23 o 14.704  7.1371  -15.9638   79.818   31.142     297.772  -19.6104   82.850   ?       ?       14.743  7.1824  0.000000       7.182398 
1 1 1 -26 -25 24 o 17.811  8.2433  63.470     84.225   -322.7344  293.478  98.133     87.923   ?       ?       19.376  8.7582  0.000000       8.758211 
1 1 1 -26 -25 25 o 12.810  6.0236  -8.5207    47.933   -179.9868  124.594  21.265     51.930   13.828  7.0206  14.838  6.7167  -1.009871      9.716050 
1 1 1 -26 -25 26 o 12.368  5.9609  -29.2898   53.313   91.713     132.146  -52.8138   58.266   18.621  9.0711  11.987  5.8786  6.633133       10.80935 
1 1 1 -26 -25 27 o 12.895  6.1589  -18.3476   54.034   -19.4662   134.253  -18.1314   59.026   16.433  8.2064  13.323  6.3831  3.109776       10.39657 
1 1 1 -26 -25 28 o 17.210  7.6838  53.592     65.396   205.207    141.498  12.410     73.745   21.295  10.113  15.425  7.3180  5.869541       12.48271 
1 1 1 -26 -25 29 o 10.089  5.0682  -107.9820  54.961   -132.1244  114.337  -100.7273  62.677   13.961  7.0501  11.071  5.5403  2.890610       8.966542 
1 1 1 -26 -25 30 o 14.200  6.7595  -4.1107    63.951   -16.5106   138.622  -0.7581    72.080   16.472  8.2427  14.788  7.0767  1.684332       10.86376 
1 1 1 -26 -25 31 o 14.674  6.9578  4.4631     66.487   -62.3860   143.423  22.761     75.036   15.852  7.9917  15.795  7.4603  0.5721188E-01  10.93264 
1 1 1 -26 -25 32 o 44.667  7.9478  385.843    82.983   450.764    153.061  358.817    98.756   28.574  12.274  36.561  10.548  -7.986826      16.18387 
1 1 1 -26 -25 33 o 25.867  10.344  232.298    98.265   311.542    146.554  167.573    132.449  23.700  10.935  20.111  9.6156  3.588940       14.56159 
1 1 1 -26 -25 34 o 17.973  8.5284  79.326     100.241  247.972    178.742  1.9488     121.073  20.252  10.002  16.190  8.0371  4.061733       12.83065 
1 1 1 -26 -25 35 o 17.724  8.4351  74.978     99.482   22.755     206.951  90.672     113.450  ?       ?       18.108  8.7197  0.000000       8.719697 
1 1 1 -26 -25 36 f 12.160  5.9952  -54.5687   63.287   -167.4525  158.795  -33.2525   69.004   ?       ?       13.229  6.4682  0.000000       6.468223 
1 1 1 -26 -25 37 o 17.709  7.8009  70.858     65.175   63.062     135.550  73.202     74.331   17.183  8.5254  17.673  8.0146  -0.4901447     11.70110 
1 1 1 -26 -25 38 o 19.306  8.2262  97.671     67.760   -63.4936   145.037  142.671    76.639   15.329  7.7608  21.742  8.9697  -6.412212      11.86115 
1 1 1 -26 -25 39 o 23.732  8.8535  153.809    68.413   115.998    151.383  163.513    76.691   17.829  8.8732  23.201  9.1825  -5.371372      12.76918 
1 1 1 -26 -25 40 o 17.189  8.2291  73.194     97.700   -386.4890  285.034  134.391    104.000  ?       ?       19.158  8.9645  0.000000       8.964510 
1 1 1 -26 -25 41 o 15.577  7.6314  19.179     97.445   -5.1420    287.068  22.347     103.596  ?       ?       15.762  7.7516  0.000000       7.751627 
1 1 1 -26 -25 42 o 17.379  7.7178  70.631     65.069   -111.3289  145.061  116.465    72.804   ?       ?       19.938  8.5119  0.000000       8.511883 
1 1 1 -26 -25 43 o 15.091  7.0810  27.962     65.651   -39.2118   145.188  45.226     73.605   15.379  7.7837  16.006  7.5064  -0.6269436     10.81351 
1 1 1 -26 -25 44 o 15.876  7.3614  43.759     67.637   63.095     148.204  38.672     76.015   16.777  8.4137  15.766  7.4652  1.010828       11.24806 
1 1 1 -26 -25 45 o 14.960  7.3101  5.7788     87.700   11.212     154.595  3.2008     106.494  16.132  8.1521  15.355  7.6078  0.7768803      11.15059 
1 1 1 -26 -25 46 o 15.861  7.3871  42.156     69.282   95.827     167.270  31.041     76.118   17.259  8.6921  15.511  7.3809  1.748693       11.40310 
1 1 1 -26 -25 47 o 15.541  7.2827  34.455     69.059   249.105    161.532  -13.5540   76.393   19.842  9.7420  14.038  6.8515  5.803770       11.91007 
1 1 1 -26 -25 48 o 12.072  5.9691  -55.2049   64.368   6.0367     157.473  -67.4900   70.530   16.156  8.1694  12.209  6.0731  3.946353       10.17944 
1 1 1 -26 -25 49 o 14.765  7.2868  -9.0228    94.299   46.535     214.305  -22.3628   105.011  ?       ?       14.787  7.3641  0.000000       7.364142 
1 1 1 -26 -25 50 o 16.107  7.9272  41.517     109.060  0.0000     0.0000   41.517     109.060  ?       ?       16.107  7.9272  0.000000       7.927204 
1 1 1 -26 -25 51 o 16.528  7.6932  63.146     74.980   338.532    210.764  23.243     80.228   18.870  9.5342  15.042  7.2654  3.827990       11.98699 
1 1 1 -26 -25 52 o 15.255  7.4524  31.117     90.973   87.910     163.281  5.5505     109.553  16.427  8.3075  14.961  7.4620  1.465905       11.16673 
1 1 1 -26 -25 53 o ?       ?       -136.4521  153.752  -136.4521  153.752  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -24 8  o 9.5343  4.5179  -17.0010   27.945   0.0000     0.0000   -17.0010   27.945   ?       ?       9.5343  4.5179  0.000000       4.517924 
1 1 1 -26 -24 9  o 10.569  4.9694  -12.4245   32.620   -163.2395  80.727   17.006     35.661   11.180  5.6735  13.108  5.7726  -1.928741      8.093905 
1 1 1 -26 -24 10 o 20.981  8.5231  119.370    67.870   101.288    101.097  134.206    91.572   18.317  8.6538  20.046  9.0108  -1.729443      12.49333 
1 1 1 -26 -24 11 o 22.780  7.8254  114.897    52.254   16.325     190.826  122.887    54.330   16.871  8.5772  23.349  7.9805  -6.478380      11.71568 
1 1 1 -26 -24 12 o 18.801  7.0284  70.536     43.158   -33.2231   103.312  92.472     47.501   14.912  7.4064  20.950  7.4417  -6.037702      10.49924 
1 1 1 -26 -24 13 o 20.331  7.4690  87.132     48.346   117.564    98.546   77.487     55.482   19.434  8.9670  18.810  7.6808  0.6244717      11.80688 
1 1 1 -26 -24 14 o 14.252  6.4294  18.703     47.117   -64.5848   92.100   48.228     54.837   13.935  6.9330  16.585  7.2342  -2.649263      10.01997 
1 1 1 -26 -24 15 o 19.550  7.5642  80.224     51.068   201.044    99.908   37.493     59.416   23.915  10.080  16.042  7.2301  7.873068       12.40484 
1 1 1 -26 -24 16 o 14.168  6.8080  -12.3929   68.239   281.929    207.011  -48.2736   72.279   20.649  10.292  13.264  6.5132  7.384547       12.18007 
1 1 1 -26 -24 17 o 21.903  9.1545  134.600    81.325   263.363    166.345  94.157     93.226   21.834  10.525  19.139  8.7908  2.695385       13.71332 
1 1 1 -26 -24 18 o 16.906  7.7905  43.321     74.031   131.473    150.985  15.420     84.943   19.509  9.5451  16.069  7.6877  3.440071       12.25603 
1 1 1 -26 -24 19 o 15.791  6.9044  34.588     50.219   102.793    118.878  19.772     55.406   19.283  9.1891  15.048  6.8609  4.234532       11.46790 
1 1 1 -26 -24 20 o 13.638  6.3467  -0.2407    50.990   -116.4426  98.333   42.496     59.634   13.574  6.8139  16.659  7.3939  -3.084962      10.05476 
1 1 1 -26 -24 21 o 24.251  8.4721  131.116    61.371   85.446     119.098  147.628    71.611   18.921  9.0657  24.409  9.0675  -5.488342      12.82210 
1 1 1 -26 -24 22 o 14.774  6.7646  14.400     54.611   124.401    113.750  -18.5487   62.255   20.313  9.4620  13.731  6.5724  6.581945       11.52066 
1 1 1 -26 -24 23 o 25.826  10.854  246.146    115.318  10.702     308.928  284.264    124.303  ?       ?       26.759  11.259  0.000000       11.25920 
1 1 1 -26 -24 24 o 24.544  10.345  202.816    105.219  294.070    317.951  191.593    111.502  ?       ?       23.365  10.250  0.000000       10.25030 
1 1 1 -26 -24 25 o 24.813  8.3535  132.487    59.519   226.830    142.684  112.613    65.488   22.754  10.599  22.051  8.5564  0.7036095      13.62138 
1 1 1 -26 -24 26 o 19.207  8.0535  76.977     63.242   121.227    137.454  65.094     71.229   19.866  9.5740  18.300  8.1032  1.566189       12.54289 
1 1 1 -26 -24 27 o 24.215  8.8076  137.707    66.989   124.038    135.631  142.118    77.041   19.937  9.5845  23.380  9.2192  -3.442579      13.29878 
1 1 1 -26 -24 28 o 14.841  6.9204  8.0429     61.101   150.657    131.378  -31.3184   69.020   20.732  9.8159  13.769  6.6724  6.963301       11.86902 
1 1 1 -26 -24 29 o 15.049  7.0314  9.8148     63.590   44.695     124.052  -2.6173    74.061   17.887  8.7302  15.096  7.2102  2.790881       11.32273 
1 1 1 -26 -24 30 o 14.451  6.8268  -1.6216    62.891   64.401     124.073  -24.4509   72.958   18.308  8.8893  14.225  6.8849  4.083431       11.24377 
1 1 1 -26 -24 31 o 12.212  5.9863  -53.9657   60.212   -85.4416   118.771  -43.0779   69.854   15.061  7.5502  13.372  6.5320  1.688644       9.983648 
1 1 1 -26 -24 32 o 14.065  6.7427  -14.3003   66.073   -6.7638    147.846  -16.1812   73.860   17.039  8.5243  14.484  6.9895  2.554968       11.02353 
1 1 1 -26 -24 33 o 22.949  9.0579  139.223    74.436   80.225     162.359  154.923    83.757   18.420  9.1708  23.121  9.4387  -4.700541      13.16029 
1 1 1 -26 -24 34 o 19.042  8.9149  98.240     103.064  196.058    208.108  66.452     118.634  19.567  9.8337  17.977  8.7201  1.590321       13.14311 
1 1 1 -26 -24 35 o 16.817  8.1523  32.590     103.251  423.677    210.461  -91.3728   118.490  22.509  11.065  14.703  7.3929  7.806054       13.30764 
1 1 1 -26 -24 36 o 15.442  7.3013  18.049     72.235   4.5625     159.343  21.537     81.040   16.932  8.5215  15.871  7.5698  1.060750       11.39815 
1 1 1 -26 -24 37 o 18.521  7.9768  78.436     64.971   161.844    141.661  56.218     73.115   19.601  9.5128  17.108  7.8311  2.492939       12.32148 
1 1 1 -26 -24 38 o 13.609  6.5047  -8.2735    60.494   -73.5259   134.493  8.2763     67.733   15.209  7.6758  14.698  6.9848  0.5105371      10.37815 
1 1 1 -26 -24 39 o 19.929  8.3160  102.534    66.953   -90.4000   139.299  160.494    76.350   15.029  7.6085  23.447  9.1994  -8.418037      11.93816 
1 1 1 -26 -24 40 o 26.297  10.965  303.387    116.289  355.613    301.346  294.248    126.053  ?       ?       24.347  10.780  0.000000       10.78046 
1 1 1 -26 -24 41 o 15.474  7.5940  6.9758     97.780   172.258    284.553  -15.1534   104.120  ?       ?       15.132  7.5017  0.000000       7.501696 
1 1 1 -26 -24 42 o 20.163  8.5230  114.659    71.763   86.827     166.967  120.965    79.479   17.372  8.7406  19.990  8.7146  -2.617514      12.34271 
1 1 1 -26 -24 43 o 11.271  5.6276  -83.1803   62.995   9.1795     168.298  -98.2289   67.934   16.409  8.3130  11.346  5.6911  5.062827       10.07445 
1 1 1 -26 -24 44 o 33.683  9.5070  285.767    81.093   366.027    179.367  265.146    90.916   21.427  10.467  28.656  10.283  -7.228817      14.67284 
1 1 1 -26 -24 45 o 14.608  6.9497  12.466     67.401   13.272     164.696  12.304     73.870   16.414  8.3057  14.848  7.1209  1.566208       10.94035 
1 1 1 -26 -24 46 o 11.100  5.5551  -90.5862   63.018   -207.3044  162.256  -69.8525   68.387   ?       ?       12.048  5.9908  0.000000       5.990788 
1 1 1 -26 -24 47 o 14.028  6.7506  -4.1678    67.730   57.969     163.488  -17.0417   74.416   17.037  8.5817  13.936  6.7930  3.100507       10.94488 
1 1 1 -26 -24 48 o 10.591  5.3353  -115.8478  63.300   154.436    156.343  -168.8419  69.228   18.533  9.1886  10.180  5.1747  8.352852       10.54548 
1 1 1 -26 -24 49 o 15.251  7.5052  0.1471     97.677   141.260    219.569  -34.6687   109.063  ?       ?       14.837  7.4076  0.000000       7.407590 
1 1 1 -26 -24 50 o 17.349  8.4515  82.817     114.712  0.0000     0.0000   82.817     114.712  ?       ?       17.349  8.4515  0.000000       8.451483 
1 1 1 -26 -24 51 o 13.953  6.9440  -40.8017   92.720   -86.0910   204.085  -29.0221   104.082  ?       ?       14.582  7.2732  0.000000       7.273207 
1 1 1 -26 -24 52 o 15.860  8.0665  6.2269     169.988  6.2269     169.988  0.0000     0.0000   15.860  8.0665  ?       ?       0.000000       8.066508 
1 1 1 -26 -24 53 o 16.751  8.4991  130.310    180.615  130.310    180.615  0.0000     0.0000   16.751  8.4991  ?       ?       0.000000       8.499095 
1 1 1 -26 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -23 8  o 17.957  6.4937  59.875     36.339   0.0000     0.0000   59.875     36.339   ?       ?       17.957  6.4937  0.000000       6.493676 
1 1 1 -26 -23 9  o 40.588  5.6766  264.777    54.374   157.955    106.013  302.911    63.340   20.667  9.4489  42.116  6.3997  -21.44873      11.41219 
1 1 1 -26 -23 10 o 26.734  9.6320  200.918    79.846   193.273    155.071  203.676    93.142   19.964  9.7475  24.604  9.9882  -4.640238      13.95631 
1 1 1 -26 -23 11 o 17.428  6.8893  56.446     43.120   39.397     99.201   60.418     47.880   16.873  8.1321  17.695  7.1690  -0.8216438     10.84097 
1 1 1 -26 -23 12 f 12.865  5.9152  2.0853     42.362   -12.1533   83.117   7.0818     49.237   14.951  7.2629  13.757  6.3442  1.193887       9.643629 
1 1 1 -26 -23 13 o 13.175  6.0274  4.8391     43.233   229.777    87.863   -67.0186   49.661   28.438  10.119  10.614  5.2474  17.82425       11.39864 
1 1 1 -26 -23 14 o 11.667  5.5553  -22.1120   43.271   83.650     86.517   -57.3934   49.970   18.920  8.6057  11.002  5.4053  7.917558       10.16245 
1 1 1 -26 -23 15 o ?       ?       -251.9770  29.839   -511.6148  91.887   -221.3693  31.549   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -23 16 o 23.711  8.1999  120.153    57.420   138.111    120.912  114.923    65.247   20.646  9.6625  22.245  8.5660  -1.599527      12.91277 
1 1 1 -26 -23 17 o 49.706  8.7740  491.588    101.952  580.705    185.761  453.173    121.963  31.071  13.435  39.531  11.809  -8.460476      17.88705 
1 1 1 -26 -23 18 o 39.973  9.9360  361.277    95.954   119.311    174.605  465.968    114.851  19.737  9.7719  43.369  10.921  -23.63203      14.65454 
1 1 1 -26 -23 19 o 18.769  7.6478  66.898     54.859   65.764     104.443  67.329     64.468   18.662  8.8105  18.674  7.9920  -0.1145363E-01 11.89530 
1 1 1 -26 -23 20 o 14.954  6.7551  17.062     52.209   -58.2509   100.650  44.786     61.067   15.119  7.4735  17.147  7.5524  -2.028430      10.62503 
1 1 1 -26 -23 21 o 15.917  7.0597  29.511     54.275   198.054    119.781  -14.0338   60.883   23.690  10.498  13.994  6.6419  9.696411       12.42293 
1 1 1 -26 -23 22 o 19.408  7.8805  73.703     57.992   -56.9021   124.765  109.695    65.497   16.220  8.0694  22.201  8.5729  -5.981018      11.77333 
1 1 1 -26 -23 23 o 17.849  8.5574  34.357     106.482  130.496    294.525  19.901     114.207  ?       ?       17.608  8.5445  0.000000       8.544492 
1 1 1 -26 -23 24 o 16.570  8.0929  -12.8656   107.137  28.502     300.358  -18.8963   114.681  ?       ?       16.684  8.1949  0.000000       8.194920 
1 1 1 -26 -23 25 o 14.039  6.6833  -16.9229   62.556   -8.7915    117.682  -20.1254   73.854   17.009  8.3439  14.733  7.0800  2.276736       10.94288 
1 1 1 -26 -23 26 o 18.313  7.9454  60.004     65.424   70.434     132.796  56.661     75.181   19.143  9.2711  18.194  8.1724  0.9490261      12.35891 
1 1 1 -26 -23 27 o 15.775  7.2143  20.521     61.851   19.872     119.813  20.757     72.217   17.709  8.6293  16.285  7.5702  1.423960       11.47927 
1 1 1 -26 -23 28 o 10.310  5.1705  -111.3042  55.990   -182.1389  106.868  -84.5040   65.734   13.280  6.7163  12.032  5.9639  1.247970       8.982063 
1 1 1 -26 -23 29 o 23.059  8.7269  121.497    66.980   218.055    138.431  91.981     76.536   23.261  10.694  20.177  8.6735  3.084368       13.76959 
1 1 1 -26 -23 30 o 18.325  7.9895  62.214     66.814   114.655    146.758  48.502     75.042   19.950  9.6823  17.620  8.0146  2.329727       12.56903 
1 1 1 -26 -23 31 o 59.870  6.3742  583.695    91.173   395.307    178.586  650.105    106.032  25.825  11.970  60.833  7.3311  -35.00797      14.03690 
1 1 1 -26 -23 32 o 46.602  7.7922  397.432    84.999   327.723    175.390  418.830    97.174   23.955  11.342  44.853  9.2364  -20.89828      14.62681 
1 1 1 -26 -23 33 o 20.063  8.5316  93.208     72.622   83.514     158.221  95.796     81.741   18.938  9.3631  19.921  8.7570  -0.9833546     12.82003 
1 1 1 -26 -23 34 o 20.249  9.3858  122.144    109.804  64.878     208.081  144.245    129.268  18.615  9.4113  20.495  9.7133  -1.879681      13.52484 
1 1 1 -26 -23 35 f 21.457  9.7144  154.728    108.680  110.092    216.199  169.821    125.719  18.923  9.5693  21.258  9.9174  -2.334902      13.78133 
1 1 1 -26 -23 36 o 17.112  7.7211  49.951     67.984   85.578     159.013  41.982     75.204   18.530  9.2005  16.826  7.7879  1.704065       12.05408 
1 1 1 -26 -23 37 o 16.265  7.3171  39.467     60.526   -115.8566  141.522  74.237     66.959   15.206  7.6949  18.484  8.0291  -3.278350      11.12101 
1 1 1 -26 -23 38 o 11.946  5.8781  -56.7756   59.859   -65.7267   152.801  -55.1529   65.059   15.995  8.0848  12.451  6.1269  3.544332       10.14410 
1 1 1 -26 -23 39 o 18.553  7.9908  78.263     65.202   -265.9202  162.285  144.518    71.202   ?       ?       23.262  8.9509  0.000000       8.950921 
1 1 1 -26 -23 40 o 35.805  12.422  494.694    131.817  365.179    294.482  527.148    147.410  ?       ?       33.106  12.840  0.000000       12.83970 
1 1 1 -26 -23 41 o 21.252  9.6611  177.787    108.848  203.492    292.855  173.667    117.248  ?       ?       20.587  9.5951  0.000000       9.595088 
1 1 1 -26 -23 42 o 15.759  7.2645  35.850     64.454   -256.3809  160.657  91.909     70.366   ?       ?       18.962  8.2337  0.000000       8.233675 
1 1 1 -26 -23 43 o 17.266  7.7624  63.861     67.987   -118.3723  165.703  100.748    74.551   ?       ?       19.260  8.4170  0.000000       8.416970 
1 1 1 -26 -23 44 o 25.621  9.4008  188.132    76.556   211.730    173.321  182.412    85.331   19.282  9.5793  23.625  9.5709  -4.343079      13.54124 
1 1 1 -26 -23 45 o 12.082  5.9657  -56.3598   63.495   -160.5129  161.493  -37.3154   69.056   ?       ?       13.053  6.4009  0.000000       6.400911 
1 1 1 -26 -23 46 o 18.782  8.2499  91.636     72.423   -67.1312   172.118  125.793    79.834   ?       ?       20.453  8.8254  0.000000       8.825449 
1 1 1 -26 -23 47 o 16.077  7.4709  40.400     70.231   163.871    162.214  11.916     77.912   18.798  9.3267  15.133  7.2723  3.665014       11.82687 
1 1 1 -26 -23 48 f 20.456  8.5779  114.906    71.755   247.425    167.966  85.323     79.361   20.212  9.9257  18.286  8.2882  1.925291       12.93107 
1 1 1 -26 -23 49 o 16.060  7.7838  27.659     94.000   136.915    222.945  4.0374     103.665  ?       ?       15.653  7.7087  0.000000       7.708736 
1 1 1 -26 -23 50 o ?       ?       71.137     211.752  71.137     211.752  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -23 51 o ?       ?       57.373     228.286  57.373     228.286  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -23 52 o ?       ?       -63.7397   172.567  -63.7397   172.567  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -23 53 o 18.580  8.1557  100.225    70.677   0.5732     173.961  119.926    77.349   ?       ?       19.312  8.5030  0.000000       8.503047 
1 1 1 -26 -23 54 o 20.352  9.6705  260.812    129.755  -26.3171   278.996  340.059    146.571  ?       ?       21.169  10.120  0.000000       10.11965 
1 1 1 -26 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -22 8  o 14.597  6.0236  30.567     34.573   0.0000     0.0000   30.567     34.573   ?       ?       14.597  6.0236  0.000000       6.023602 
1 1 1 -26 -22 9  o 13.303  5.8695  14.703     37.040   -75.5769   85.815   35.374     41.062   13.455  6.6937  15.385  6.4722  -1.930201      9.311060 
1 1 1 -26 -22 10 o 19.676  8.3838  91.534     70.381   59.032     142.720  101.978    80.903   18.027  8.9089  19.914  8.7338  -1.886969      12.47591 
1 1 1 -26 -22 11 o 19.349  7.0750  70.745     43.308   150.514    87.511   44.871     49.840   22.701  9.4929  16.598  7.0632  6.103273       11.83237 
1 1 1 -26 -22 12 o 16.706  7.1068  45.008     50.422   25.029     95.635   52.699     59.339   16.893  8.1017  17.410  7.5604  -0.5172367     11.08140 
1 1 1 -26 -22 13 o 21.606  7.4750  90.827     47.719   26.492     96.070   111.900    54.981   17.065  8.1675  23.219  8.0242  -6.153173      11.44967 
1 1 1 -26 -22 14 o 15.103  6.6780  23.641     48.199   65.732     109.234  13.465     53.710   18.655  8.8667  14.787  6.7470  3.867482       11.14178 
1 1 1 -26 -22 15 o 12.131  5.7926  -26.8088   47.746   2.1552     107.175  -33.9804   53.330   16.871  8.2079  12.432  5.9845  4.439641       10.15797 
1 1 1 -26 -22 16 f 14.078  6.4943  2.3406     51.645   -33.0452   105.065  13.615     59.304   15.993  7.8531  15.270  7.0129  0.7227001      10.52866 
1 1 1 -26 -22 17 o 15.921  7.4273  12.836     70.511   49.347     131.689  -1.8386    83.487   18.741  9.1128  15.984  7.6402  2.756248       11.89187 
1 1 1 -26 -22 18 o 22.791  9.0487  122.229    74.692   -7.7750    132.429  182.877    90.451   17.581  8.6689  25.969  10.062  -8.387955      13.28105 
1 1 1 -26 -22 19 o 12.762  5.9287  -9.0239    44.173   12.450     97.086   -14.6300   49.606   17.135  8.2036  13.050  6.1335  4.085429       10.24296 
1 1 1 -26 -22 20 o 15.371  6.8004  22.279     50.053   150.623    112.373  -9.4861    55.904   22.566  10.074  13.947  6.5409  8.618959       12.01112 
1 1 1 -26 -22 21 o 33.014  8.0102  200.765    63.514   227.037    136.029  193.440    71.823   24.667  11.043  30.323  9.0632  -5.656015      14.28571 
1 1 1 -26 -22 22 o 22.383  8.4569  104.738    62.831   158.135    125.643  86.932     72.555   22.494  10.285  20.451  8.6032  2.042864       13.40880 
1 1 1 -26 -22 23 o 20.217  9.3967  90.132     111.205  565.841    299.290  13.937     119.780  24.384  12.188  17.979  8.7307  6.404655       14.99280 
1 1 1 -26 -22 24 o 19.128  9.0178  59.749     108.713  -174.3994  300.904  94.901     116.588  ?       ?       20.374  9.5203  0.000000       9.520271 
1 1 1 -26 -22 25 o 19.894  8.3150  77.511     67.093   100.461    124.237  68.063     79.716   20.514  9.6616  19.225  8.5398  1.288715       12.89476 
1 1 1 -26 -22 26 o 13.863  6.6435  -28.3542   64.016   39.352     118.681  -56.1363   76.024   18.616  8.9534  13.906  6.7972  4.710822       11.24122 
1 1 1 -26 -22 27 o 23.490  8.9874  124.891    71.527   127.370    131.648  123.853    85.200   21.227  9.9814  22.454  9.3762  -1.227524      13.69463 
1 1 1 -26 -22 28 o 16.246  7.5386  16.277     71.116   -43.1164   142.479  35.983     82.070   17.313  8.6148  17.588  8.1389  -0.2749290     11.85145 
1 1 1 -26 -22 29 o 21.022  8.6909  96.420     72.162   72.458     145.384  104.254    83.124   19.568  9.5286  21.159  9.0658  -1.591318      13.15235 
1 1 1 -26 -22 30 o 25.618  9.3459  155.761    75.511   151.760    157.206  156.961    86.092   21.239  10.237  24.502  9.7191  -3.262728      14.11563 
1 1 1 -26 -22 31 o 21.581  8.7879  105.995    72.373   48.920     156.762  121.455    81.589   18.982  9.3726  22.183  9.2118  -3.201607      13.14163 
1 1 1 -26 -22 32 o 17.431  7.8485  44.256     69.816   110.365    156.882  27.931     77.962   20.060  9.7969  16.869  7.8496  3.191391       12.55373 
1 1 1 -26 -22 33 o 14.223  6.7640  -13.6968   63.729   112.008    152.900  -40.1268   70.110   19.975  9.7367  13.732  6.6708  6.243175       11.80268 
1 1 1 -26 -22 34 o 22.498  9.6722  146.538    95.189   65.732     176.879  179.482    112.938  18.981  9.4696  23.064  10.209  -4.083014      13.92451 
1 1 1 -26 -22 35 o 21.157  9.2361  120.479    89.546   51.456     165.636  148.982    106.441  18.557  9.2430  21.806  9.7646  -3.248779      13.44546 
1 1 1 -26 -22 36 o 17.724  7.8142  56.430     65.535   -11.5369   138.250  76.130     74.429   17.033  8.4774  18.900  8.3303  -1.866337      11.88532 
1 1 1 -26 -22 37 o 27.468  9.0707  177.258    70.240   220.915    155.520  166.071    78.727   21.655  10.371  24.919  9.4539  -3.263920      14.03358 
1 1 1 -26 -22 38 o 25.440  9.2155  164.890    73.232   63.028     209.524  179.065    78.161   18.319  9.2800  25.905  9.4997  -7.586496      13.28019 
1 1 1 -26 -22 39 o 20.421  8.6004  105.757    72.640   240.405    156.416  68.733     82.021   21.551  10.343  18.022  8.2658  3.529802       13.23987 
1 1 1 -26 -22 40 o 15.611  7.6250  -2.8200    95.147   26.271     271.520  -6.8923    101.588  ?       ?       15.711  7.7162  0.000000       7.716245 
1 1 1 -26 -22 41 o 14.861  7.3133  -25.0837   92.734   -129.0823  253.254  -8.9805    99.655   ?       ?       15.505  7.6206  0.000000       7.620633 
1 1 1 -26 -22 42 o 21.190  9.3612  150.604    94.523   196.917    165.987  128.377    114.989  19.686  9.7063  19.338  9.1638  0.3480129      13.34870 
1 1 1 -26 -22 43 f 13.194  6.4289  -30.7462   66.471   162.062    159.913  -71.0190   73.085   19.062  9.4223  12.525  6.2220  6.537343       11.29132 
1 1 1 -26 -22 44 f 11.135  5.5605  -88.0708   61.597   -162.9920  159.598  -74.9575   66.770   ?       ?       11.920  5.9261  0.000000       5.926093 
1 1 1 -26 -22 45 o 17.482  7.9445  66.479     73.522   105.529    170.889  57.609     81.445   17.984  9.0212  17.050  7.9636  0.9339924      12.03332 
1 1 1 -26 -22 46 o 14.558  7.0563  -6.8603    77.281   51.398     284.779  -11.4916   80.294   ?       ?       14.549  7.0841  0.000000       7.084121 
1 1 1 -26 -22 47 o 11.729  5.8423  -81.1345   66.246   141.700    162.268  -125.7017  72.569   18.647  9.2646  11.294  5.6927  7.352293       10.87381 
1 1 1 -26 -22 48 o 17.054  7.7874  56.504     71.732   -160.0686  169.811  103.544    79.140   ?       ?       19.464  8.5839  0.000000       8.583882 
1 1 1 -26 -22 49 o ?       ?       -90.5527   215.406  -90.5527   215.406  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -22 50 o 18.772  9.5171  213.371    223.343  213.371    223.343  0.0000     0.0000   18.772  9.5171  ?       ?       0.000000       9.517108 
1 1 1 -26 -22 51 o ?       ?       -66.2022   214.866  -66.2022   214.866  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -22 52 o 16.795  7.6770  59.261     69.943   -50.9701   165.456  83.245     77.178   15.703  7.9841  17.920  8.1421  -2.216765      11.40347 
1 1 1 -26 -22 53 f 17.262  7.8498  73.867     71.933   67.715     166.012  75.289     79.815   16.693  8.4366  17.184  7.9783  -0.4908524     11.61159 
1 1 1 -26 -22 54 o 13.595  6.8464  -66.8136   103.726  -189.0147  271.348  -45.9013   112.251  ?       ?       14.190  7.1430  0.000000       7.142973 
1 1 1 -26 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -21 8  o 12.121  5.3368  8.0549     30.468   2.8920     69.385   9.2882     33.912   14.976  7.1030  12.629  5.5918  2.347068       9.039941 
1 1 1 -26 -21 9  o 33.182  6.1675  179.072    47.828   251.838    98.767   156.782    54.664   28.709  10.652  28.654  7.6982  0.5491638E-01  13.14266 
1 1 1 -26 -21 10 f 12.795  6.2083  -40.1229   60.232   81.388     134.721  -70.4794   67.337   19.020  9.2414  12.475  6.1569  6.544566       11.10451 
1 1 1 -26 -21 11 o 27.370  7.1456  133.592    47.965   133.728    87.367   133.533    57.387   22.264  9.4073  25.558  8.1818  -3.293777      12.46754 
1 1 1 -26 -21 12 o 14.455  6.4822  14.447     47.094   72.210     89.009   -8.0105    55.499   19.028  8.6834  13.842  6.5000  5.185996       10.84671 
1 1 1 -26 -21 13 f 22.856  7.9457  103.982    53.950   172.627    117.712  85.728     60.701   22.971  10.278  20.483  8.1495  2.487932       13.11723 
1 1 1 -26 -21 14 o 13.794  6.3560  -0.4145    49.270   131.956    162.330  -13.8458   51.709   20.779  10.107  13.297  6.2536  7.481615       11.88526 
1 1 1 -26 -21 15 o 13.260  6.1631  -7.8747    47.838   53.762     101.081  -25.6645   54.304   18.737  8.7900  13.039  6.2128  5.698110       10.76399 
1 1 1 -26 -21 16 o 12.590  5.8599  -11.5501   43.494   -106.2834  95.715   13.102     48.826   14.111  7.0278  14.698  6.5953  -0.5877600     9.637909 
1 1 1 -26 -21 17 o 26.208  9.4423  158.773    76.731   100.347    131.785  188.739    94.379   20.629  9.7856  26.532  10.278  -5.903706      14.19161 
1 1 1 -26 -21 18 o 15.222  6.9108  12.080     55.469   -113.5536  115.226  49.977     63.285   15.214  7.5983  18.056  7.8242  -2.842000      10.90653 
1 1 1 -26 -21 19 o 20.492  7.4374  75.331     47.731   -4.6375    108.836  94.375     53.111   17.388  8.4141  22.324  7.8754  -4.936811      11.52475 
1 1 1 -26 -21 20 o 21.562  7.6573  85.531     50.290   64.496     112.537  90.780     56.216   19.664  9.2409  21.748  8.0429  -2.084078      12.25083 
1 1 1 -26 -21 21 o 16.827  7.3870  33.345     57.991   38.653     108.259  31.209     68.675   18.762  8.8910  17.186  7.7567  1.575989       11.79900 
1 1 1 -26 -21 22 o 15.409  7.0713  7.7951     60.139   37.730     112.041  -4.3199    71.277   18.841  8.9624  15.605  7.3399  3.236207       11.58444 
1 1 1 -26 -21 23 o 25.600  10.801  197.018    114.888  25.307     304.070  225.613    124.087  ?       ?       26.403  11.187  0.000000       11.18676 
1 1 1 -26 -21 24 o 18.938  8.9274  43.790     106.501  -531.0428  285.609  136.628    114.780  ?       ?       22.587  10.125  0.000000       10.12525 
1 1 1 -26 -21 25 o 9.7924  4.9471  -145.5112  56.671   -315.0824  108.905  -82.5427   66.364   ?       ?       12.419  6.1258  0.000000       6.125837 
1 1 1 -26 -21 26 o 20.707  8.5868  84.943     70.752   132.503    146.394  70.448     80.818   21.783  10.327  19.694  8.6806  2.088202       13.49101 
1 1 1 -26 -21 27 o 18.628  8.2400  54.133     73.463   116.149    145.151  32.777     85.178   21.282  10.145  17.871  8.2777  3.410400       13.09364 
1 1 1 -26 -21 28 o 16.930  7.7845  23.361     73.364   -34.8218   148.846  42.032     84.317   17.967  8.9178  18.218  8.3651  -0.2512436     12.22711 
1 1 1 -26 -21 29 o 19.521  8.4677  70.188     74.274   85.079     148.072  65.182     85.857   20.325  9.8304  19.305  8.6969  1.020117       13.12525 
1 1 1 -26 -21 30 o 17.069  7.7544  30.818     69.981   113.088    155.613  9.9609     78.351   20.868  10.089  16.474  7.7318  4.393696       12.71095 
1 1 1 -26 -21 31 o 13.631  6.5700  -36.7847   64.767   -68.6790   135.817  -27.3968   73.685   16.782  8.3605  14.690  7.0627  2.091637       10.94442 
1 1 1 -26 -21 32 o 22.027  8.8341  108.009    71.908   -42.5485   133.011  170.184    85.476   17.074  8.4670  25.846  9.8400  -8.771427      12.98136 
1 1 1 -26 -21 33 o 33.634  9.1821  236.424    77.037   301.921    143.385  209.844    91.341   27.017  11.742  28.108  10.275  -1.091183      15.60328 
1 1 1 -26 -21 34 o 24.974  10.062  175.856    93.767   237.533    168.392  148.138    112.888  22.924  10.928  22.140  9.9732  0.7842693      14.79450 
1 1 1 -26 -21 35 o 24.042  9.9805  167.944    95.730   298.618    172.775  110.055    114.996  24.050  11.347  20.382  9.5006  3.668142       14.79937 
1 1 1 -26 -21 36 o 21.765  8.8753  113.554    73.951   207.663    137.520  75.270     87.712   22.866  10.565  19.049  8.6647  3.816978       13.66399 
1 1 1 -26 -21 37 o 26.425  9.3889  172.371    75.616   41.172     158.454  211.059    86.046   18.363  9.1288  28.120  10.013  -9.757587      13.54963 
1 1 1 -26 -21 38 o 16.181  7.6170  20.773     77.035   -92.8098   191.622  42.669     84.133   16.970  8.6247  17.284  8.0800  -0.3137493     11.81826 
1 1 1 -26 -21 39 o 17.953  8.1026  62.193     74.927   162.294    166.401  36.736     83.915   20.037  9.8479  16.902  7.9545  3.134758       12.65919 
1 1 1 -26 -21 40 o 22.382  10.303  213.242    129.015  324.551    270.331  180.412    146.813  20.183  10.256  20.602  9.9206  -0.4194279     14.26907 
1 1 1 -26 -21 41 o 19.427  9.3352  126.426    128.355  -76.8056   287.753  176.907    143.413  ?       ?       20.381  9.8118  0.000000       9.811755 
1 1 1 -26 -21 42 o 17.459  8.3722  56.764     102.060  129.105    149.712  -6.0431    139.499  19.008  9.3421  16.570  8.2885  2.438065       12.48893 
1 1 1 -26 -21 43 o 12.435  5.8760  -11.3260   46.655   -15.3568   55.867   -2.0353    84.817   13.062  6.2454  15.188  7.3685  -2.125163      9.659204 
1 1 1 -26 -21 44 o 18.320  7.3564  68.648     49.932   137.405    61.208   -68.1410   86.332   24.104  8.4586  13.510  6.7197  10.59459       10.80289 
1 1 1 -26 -21 45 o 21.099  9.2143  141.261    89.208   281.997    287.724  126.294    93.832   ?       ?       20.049  9.0563  0.000000       9.056275 
1 1 1 -26 -21 46 o 14.822  7.1789  -5.0319    79.634   248.215    283.641  -26.7021   82.971   ?       ?       14.334  7.0263  0.000000       7.026329 
1 1 1 -26 -21 47 o 16.891  7.0304  52.715     47.681   75.168     60.690   16.505     77.071   18.442  7.8191  15.481  7.3834  2.960670       10.75423 
1 1 1 -26 -21 48 o 16.144  7.2341  41.010     58.533   41.010     58.533   0.0000     0.0000   16.144  7.2341  ?       ?       0.000000       7.234105 
1 1 1 -26 -21 49 o 10.028  4.9982  -80.3296   48.798   -80.3296   48.798   0.0000     0.0000   10.028  4.9982  ?       ?       0.000000       4.998155 
1 1 1 -26 -21 50 o 16.612  7.4065  48.694     60.531   48.694     60.531   0.0000     0.0000   16.612  7.4065  ?       ?       0.000000       7.406468 
1 1 1 -26 -21 51 o 12.267  5.8088  -11.9454   46.037   -47.4025   56.806   55.906     78.582   11.852  5.8107  17.002  7.9013  -5.149907      9.807903 
1 1 1 -26 -21 52 o 16.135  6.8982  46.636     47.940   92.498     58.257   -49.5706   84.377   19.659  7.9277  13.627  6.7550  6.032059       10.41530 
1 1 1 -26 -21 53 o 21.832  7.9004  112.234    53.800   53.801     67.098   217.443    90.033   16.436  7.5155  24.815  9.9087  -8.378975      12.43645 
1 1 1 -26 -21 54 o 17.443  8.5462  110.568    122.293  -19.4527   284.253  140.100    135.471  ?       ?       17.844  8.7924  0.000000       8.792361 
1 1 1 -26 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -20 7  o 15.168  6.4487  30.134     41.471   0.0000     0.0000   30.134     41.471   ?       ?       15.168  6.4487  0.000000       6.448719 
1 1 1 -26 -20 8  o 18.475  6.5020  58.669     36.181   14.800     79.545   70.113     40.627   16.209  7.6635  19.726  6.8931  -3.517286      10.30742 
1 1 1 -26 -20 9  f 13.225  6.2280  -13.0428   51.592   -20.6412   78.264   -7.2033    68.610   14.960  7.2133  14.853  7.0500  0.1073294      10.08632 
1 1 1 -26 -20 10 o 22.301  9.0179  117.980    75.602   208.067    165.822  94.340     84.945   22.257  10.673  20.347  8.9360  1.909851       13.91987 
1 1 1 -26 -20 11 o 17.799  6.9465  52.701     43.355   -3.0399    87.350   70.923     49.942   16.234  7.7745  19.619  7.5090  -3.384598      10.80871 
1 1 1 -26 -20 12 o 12.685  5.9984  -20.9439   48.778   -148.7323  105.552  13.757     55.004   13.935  7.0031  15.190  6.8907  -1.254976      9.824736 
1 1 1 -26 -20 13 o 14.829  6.7047  11.134     51.569   -17.1684   103.112  20.575     59.553   16.704  8.1090  15.964  7.2127  0.7401400      10.85262 
1 1 1 -26 -20 14 o 38.074  6.6556  233.370    59.247   184.479    120.317  249.021    68.073   24.308  10.656  37.826  7.6791  -13.51780      13.13487 
1 1 1 -26 -20 15 o 20.014  7.4086  70.686     47.723   122.983    96.381   53.700     54.929   22.423  9.6862  18.278  7.5716  4.145218       12.29435 
1 1 1 -26 -20 16 o 12.953  6.1970  -33.6679   55.179   0.4701     88.465   -55.4070   70.595   16.824  7.9916  13.669  6.6527  3.155022       10.39823 
1 1 1 -26 -20 17 o 24.010  8.7197  117.954    65.624   175.100    131.572  99.031     75.714   23.861  10.756  21.793  8.9443  2.068411       13.98913 
1 1 1 -26 -20 18 o 19.851  8.1846  70.045     63.759   78.300     130.547  67.459     73.066   20.590  9.7592  19.685  8.4687  0.9052067      12.92129 
1 1 1 -26 -20 19 f 11.767  5.6638  -41.7212   47.736   -158.6612  102.165  -9.0614    53.992   13.853  6.9526  14.087  6.5475  -0.2341452     9.550296 
1 1 1 -26 -20 20 o 13.866  6.3896  -5.6345    49.800   -17.2583   102.815  -2.0715    56.923   17.129  8.2611  14.759  6.8118  2.369449       10.70735 
1 1 1 -26 -20 21 o 34.604  7.6997  205.280    62.983   409.272    120.594  128.768    73.855   41.113  11.590  24.570  9.1925  16.54291       14.79271 
1 1 1 -26 -20 22 o 35.744  7.7356  218.852    65.142   303.953    119.137  182.558    77.803   32.896  11.775  29.294  9.5405  3.602728       15.15467 
1 1 1 -26 -20 23 f 20.638  9.4018  78.502     103.774  108.380    214.428  69.363     118.587  21.659  10.742  20.408  9.5569  1.251028       14.37807 
1 1 1 -26 -20 24 o 20.436  9.3896  73.398     106.477  39.071     230.066  82.755     120.115  20.802  10.439  20.880  9.7252  -0.7780838E-01 14.26739 
1 1 1 -26 -20 25 o 21.701  8.8208  93.814     72.749   179.359    148.157  66.635     83.510   23.834  10.996  19.862  8.7857  3.972046       14.07517 
1 1 1 -26 -20 26 o 15.584  7.3248  -8.0625    70.764   7.3023     139.297  -13.4069   82.154   19.008  9.2717  16.138  7.6760  2.870449       12.03682 
1 1 1 -26 -20 27 o 14.122  6.7660  -34.2803   66.328   -21.6310   141.277  -37.8568   75.122   18.397  9.0481  14.738  7.0966  3.658935       11.49912 
1 1 1 -26 -20 28 o 23.235  8.8318  111.517    68.789   206.497    140.384  81.506     78.912   24.876  11.171  20.603  8.8305  4.273506       14.23999 
1 1 1 -26 -20 29 o 23.197  8.7952  111.421    68.112   77.620     130.953  123.957    79.748   20.489  9.7297  23.503  9.3442  -3.013735      13.48998 
1 1 1 -26 -20 30 o 23.811  8.9911  121.517    70.994   73.856     133.928  140.144    83.726   20.294  9.6938  24.376  9.6112  -4.081472      13.65086 
1 1 1 -26 -20 31 o 18.363  8.0467  51.042     68.541   193.188    127.130  -7.2083    81.382   24.535  10.847  16.106  7.6548  8.428755       13.27601 
1 1 1 -26 -20 32 o 23.658  9.0723  124.221    72.988   203.904    133.708  90.397     87.113   24.438  10.944  20.692  9.0693  3.746038       14.21315 
1 1 1 -26 -20 33 f 22.618  9.0131  114.574    74.353   -45.5416   137.042  181.370    88.513   17.312  8.5864  26.686  10.048  -9.374140      13.21684 
1 1 1 -26 -20 34 o 15.178  7.3421  -30.3871   82.694   172.069    154.932  -111.0398  97.788   22.154  10.539  14.137  7.0508  8.017093       12.67966 
1 1 1 -26 -20 35 o 36.753  11.402  363.029    112.275  570.896    191.180  253.594    138.717  32.228  13.777  25.406  11.276  6.821770       17.80351 
1 1 1 -26 -20 36 o 13.366  6.5439  -57.6676   71.328   10.685     249.988  -63.7254   74.422   ?       ?       13.441  6.6020  0.000000       6.602032 
1 1 1 -26 -20 37 o 11.161  5.3274  -27.6861   40.300   -19.6346   47.356   -48.8296   76.741   12.455  5.8959  13.978  6.8320  -1.523270      9.024269 
1 1 1 -26 -20 38 o 27.708  8.1894  153.966    58.890   128.286    76.455   191.428    92.343   22.657  9.1013  25.714  10.108  -3.056982      13.60173 
1 1 1 -26 -20 39 o 15.014  6.5936  25.002     46.243   27.262     54.945   19.513     85.623   15.633  7.0069  16.499  7.8445  -0.8659954     10.51824 
1 1 1 -26 -20 40 o 15.595  7.7738  -56.7065   118.172  229.452    268.084  -125.7188  131.653  ?       ?       15.004  7.5753  0.000000       7.575312 
1 1 1 -26 -20 41 o 19.490  9.3358  116.391    126.115  -208.2555  267.161  209.477    143.057  ?       ?       21.650  10.248  0.000000       10.24813 
1 1 1 -26 -20 42 o 10.441  5.0910  -44.1676   41.903   -19.4471   49.010   -111.3428  80.791   12.373  5.8975  12.398  6.2171  -0.2491283E-01 8.569264 
1 1 1 -26 -20 43 o 11.302  5.4961  -40.7334   47.920   -40.4657   58.345   -41.2882   84.000   12.376  6.0286  14.161  6.9670  -1.784783      9.213249 
1 1 1 -26 -20 44 o 24.752  8.0750  132.400    55.729   130.147    68.941   136.647    94.665   22.490  8.7645  20.788  9.2658  1.701628       12.75424 
1 1 1 -26 -20 45 o 17.429  8.1226  59.306     83.982   -15.4806   298.705  65.725     87.512   ?       ?       17.701  8.2634  0.000000       8.263410 
1 1 1 -26 -20 46 o 9.5782  4.7443  -63.7378   41.313   -46.2193   48.147   -112.6422  80.445   11.081  5.4148  12.252  6.1520  -1.171800      8.195539 
1 1 1 -26 -20 47 o 10.626  5.2473  -62.8551   49.169   -62.8551   49.169   0.0000     0.0000   10.626  5.2473  ?       ?       0.000000       5.247274 
1 1 1 -26 -20 48 o 15.940  7.2113  35.633     59.762   35.633     59.762   0.0000     0.0000   15.940  7.2113  ?       ?       0.000000       7.211294 
1 1 1 -26 -20 49 o 9.6961  4.8526  -90.3876   48.107   -90.3876   48.107   0.0000     0.0000   9.6961  4.8526  ?       ?       0.000000       4.852561 
1 1 1 -26 -20 50 o 14.215  6.5135  13.880     50.764   18.659     57.567   -2.8310    107.651  14.871  6.8588  15.969  7.8627  -1.098247      10.43387 
1 1 1 -26 -20 51 o 18.640  7.3480  71.255     48.927   133.065    61.139   -38.8282   81.593   23.678  8.4393  13.964  6.8693  9.714233       10.88161 
1 1 1 -26 -20 52 o 12.770  5.9514  -0.8548    45.100   2.0672     53.993   -7.5986    82.026   13.618  6.4000  14.741  7.1735  -1.122689      9.613505 
1 1 1 -26 -20 53 o 10.982  5.2835  -25.7945   41.403   1.7344     50.482   -82.3573   72.362   13.223  6.2062  12.063  6.0243  1.160316       8.649227 
1 1 1 -26 -20 54 f 13.832  6.9807  -84.8935   111.203  -381.7772  270.916  -24.7367   121.951  ?       ?       15.057  7.5622  0.000000       7.562204 
1 1 1 -26 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -19 7  o 10.147  4.7053  -11.7926   27.640   0.0000     0.0000   -11.7926   27.640   ?       ?       10.147  4.7053  0.000000       4.705304 
1 1 1 -26 -19 8  o 18.616  6.3061  57.321     33.921   146.943    78.302   36.615     37.636   24.520  9.3981  15.909  6.3873  8.610740       11.36321 
1 1 1 -26 -19 9  o 26.800  9.5283  169.303    77.890   410.899    169.938  105.050    87.638   29.037  12.699  21.192  9.1953  7.845320       15.67819 
1 1 1 -26 -19 10 o 14.671  6.9629  -15.6759   66.875   49.840     153.314  -31.0705   74.318   19.472  9.5465  14.646  7.0540  4.826187       11.86989 
1 1 1 -26 -19 11 o 9.0526  4.4722  -62.1047   35.853   -54.4785   75.263   -64.3433   40.777   14.021  6.8338  9.7734  4.8173  4.247551       8.361017 
1 1 1 -26 -19 12 o 20.835  7.8290  80.116     53.685   54.946     100.659  90.122     63.464   19.245  8.9432  21.388  8.3886  -2.143642      12.26171 
1 1 1 -26 -19 13 o 18.080  7.5424  49.961     55.055   60.210     109.060  46.457     63.778   19.702  9.2066  18.057  7.8397  1.644827       12.09229 
1 1 1 -26 -19 14 o 12.951  5.9458  -6.7792    42.582   -18.9818   89.377   -3.1962    48.432   16.336  7.8339  13.847  6.3512  2.488868       10.08501 
1 1 1 -26 -19 15 o 11.129  5.2429  -22.8996   36.636   -129.3967  89.890   -1.6860    40.119   13.528  6.7495  13.018  5.8973  0.5104876      8.962911 
1 1 1 -26 -19 16 o 30.380  8.4750  171.615    64.837   144.556    111.822  185.320    79.580   23.718  10.339  29.413  9.6522  -5.695133      14.14389 
1 1 1 -26 -19 17 o 15.104  6.9882  -3.1633    60.465   -24.5734   123.093  3.6457     69.417   17.963  8.7515  16.137  7.4737  1.825872       11.50846 
1 1 1 -26 -19 18 o 28.662  7.9440  145.382    57.161   107.647    132.762  153.968    63.331   22.039  10.251  28.724  8.4934  -6.685122      13.31279 
1 1 1 -26 -19 19 o 36.341  7.1212  213.367    60.547   93.627     116.413  257.769    70.890   21.621  9.8912  39.158  7.7355  -17.53651      12.55685 
1 1 1 -26 -19 20 o 24.242  8.1978  108.285    57.324   86.036     112.752  116.041    66.570   21.356  9.7563  24.309  8.7894  -2.952833      13.13161 
1 1 1 -26 -19 21 o 25.754  8.3246  122.895    59.298   110.615    111.923  127.688    69.918   22.458  10.038  25.216  9.0208  -2.757908      13.49560 
1 1 1 -26 -19 22 o 14.051  6.6909  -32.0944   62.777   -59.2331   101.979  -15.5348   79.660   16.205  7.9105  16.132  7.6395  0.7262993E-01  10.99716 
1 1 1 -26 -19 23 o ?       ?       -215.7361  68.562   -198.4849  203.244  -217.9513  72.831   18.157  9.1916  10.458  5.3150  7.699011       10.61767 
1 1 1 -26 -19 24 o 32.593  11.061  258.283    104.361  506.940    248.385  204.977    115.005  28.884  13.621  27.382  11.105  1.501764       17.57409 
1 1 1 -26 -19 25 o 31.776  9.1129  195.552    73.908   144.696    152.128  211.264    84.557   23.212  10.855  31.562  9.9120  -8.349842      14.69996 
1 1 1 -26 -19 26 o 38.637  8.2470  260.935    74.961   210.173    134.088  284.012    90.408   26.215  11.375  37.618  9.8050  -11.40210      15.01730 
1 1 1 -26 -19 27 o 37.237  8.6530  252.006    76.692   271.911    138.265  243.161    92.171   28.875  11.991  33.145  10.339  -4.269695      15.83293 
1 1 1 -26 -19 28 o 30.237  8.9725  178.241    70.581   250.671    130.363  148.204    83.950   28.320  11.693  25.636  9.7538  2.684029       15.22671 
1 1 1 -26 -19 29 o 27.077  9.2525  152.835    73.030   118.665    134.300  167.181    87.021   22.203  10.322  26.809  9.9884  -4.605635      14.36352 
1 1 1 -26 -19 30 o 13.812  6.6493  -42.1747   65.843   -50.1122   127.386  -39.2809   76.914   17.414  8.5699  14.873  7.1662  2.541200       11.17129 
1 1 1 -26 -19 31 o 15.938  7.3384  7.9939     65.509   -126.4932  129.825  53.934     75.877   16.015  8.0085  18.934  8.3750  -2.919346      11.58778 
1 1 1 -26 -19 32 o 14.433  6.8343  -19.6770   63.725   -135.4665  128.884  17.789     73.313   15.747  7.8899  16.830  7.7545  -1.083493      11.06265 
1 1 1 -26 -19 33 o 25.255  7.6908  115.742    51.364   119.347    63.783   109.091    86.637   24.198  8.6203  21.996  9.3351  2.201567       12.70647 
1 1 1 -26 -19 34 o 12.774  5.9654  -14.0859   45.664   -31.0386   52.373   39.656     93.249   12.703  6.0663  18.361  8.5575  -5.657691      10.48956 
1 1 1 -26 -19 35 o 12.084  5.7247  -24.1937   44.823   -14.3785   50.974   -57.6587   94.123   13.306  6.2421  15.177  7.4484  -1.870894      9.718164 
1 1 1 -26 -19 36 o 14.910  6.6433  16.763     48.613   -15.5822   61.287   71.641     79.829   14.158  6.7035  19.399  8.5850  -5.241591      10.89212 
1 1 1 -26 -19 37 o 15.788  6.8465  29.683     48.524   27.064     59.027   35.143     85.223   16.153  7.2496  17.562  8.1838  -1.409214      10.93299 
1 1 1 -26 -19 38 o 19.402  7.4796  70.241     49.790   90.315     60.580   28.455     87.402   20.849  8.1899  17.217  8.1073  3.632589       11.52399 
1 1 1 -26 -19 39 o 80.088  5.8515  999.094    112.923  2381.00    303.782  777.530    121.639  80.389  16.135  65.379  7.8232  15.01023       17.93143 
1 1 1 -26 -19 40 o 18.181  8.8205  49.738     121.482  -283.8580  259.424  143.435    137.488  ?       ?       20.594  9.8328  0.000000       9.832837 
1 1 1 -26 -19 41 o 21.328  10.081  178.806    137.515  -299.8370  289.360  318.446    156.292  ?       ?       24.646  11.343  0.000000       11.34303 
1 1 1 -26 -19 42 o 15.900  6.9062  36.495     49.534   76.290     60.611   -43.5395   85.956   19.022  7.9228  14.380  7.0695  4.642605       10.61826 
1 1 1 -26 -19 43 o 19.265  7.5119  75.285     50.665   77.741     61.249   69.965     90.164   19.006  7.9442  18.169  8.4503  0.8362141      11.59820 
1 1 1 -26 -19 44 o 8.8914  4.4732  -99.6012   43.695   -111.6117  50.927   -66.0894   85.068   9.5387  4.8028  13.652  6.7701  -4.113136      8.300718 
1 1 1 -26 -19 45 o 13.692  6.3482  4.4921     50.279   2.4127     55.963   13.197     114.505  13.995  6.5574  16.600  8.1607  -2.604869      10.46879 
1 1 1 -26 -19 46 o 25.521  9.1841  167.816    72.572   167.816    72.572   0.0000     0.0000   25.521  9.1841  ?       ?       0.000000       9.184052 
1 1 1 -26 -19 47 o 14.206  6.7261  -1.1005    61.698   -1.1005    61.698   0.0000     0.0000   14.206  6.7261  ?       ?       0.000000       6.726119 
1 1 1 -26 -19 48 o 9.4379  4.6961  -73.4410   42.323   -46.4830   46.929   -190.8989  97.958   10.979  5.3612  12.251  6.2205  -1.271799      8.212029 
1 1 1 -26 -19 49 o 15.716  7.0002  33.357     53.936   39.924     59.996   5.6805     123.158  16.318  7.3173  16.679  8.2489  -0.3605881     11.02665 
1 1 1 -26 -19 50 o 17.207  7.3498  54.301     54.331   66.300     61.975   14.465     112.926  18.035  7.7791  16.622  8.1579  1.413301       11.27238 
1 1 1 -26 -19 51 o 18.760  7.4549  72.203     50.738   76.960     63.469   63.779     84.455   18.651  7.9547  17.666  8.2035  0.9853764      11.42691 
1 1 1 -26 -19 52 o 11.853  5.6423  -17.9560   44.554   -30.4028   53.080   11.725     81.968   12.165  5.8839  15.465  7.4386  -3.300628      9.484367 
1 1 1 -26 -19 53 o 15.060  7.4779  -24.3099   105.094  -408.9418  272.237  43.048     113.925  ?       ?       16.710  8.1995  0.000000       8.199494 
1 1 1 -26 -19 54 o 13.611  6.8799  -105.7306  110.746  -74.4190   268.589  -112.1444  121.560  ?       ?       13.920  7.0532  0.000000       7.053191 
1 1 1 -26 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -18 7  o 17.973  6.1230  51.739     31.981   -8.5679    84.067   61.944     34.581   15.997  7.6519  19.375  6.3630  -3.378031      9.951836 
1 1 1 -26 -18 8  o 17.195  6.2858  46.191     34.182   112.136    70.747   26.107     39.042   22.723  8.8721  15.057  6.3214  7.665844       10.89381 
1 1 1 -26 -18 9  f 14.772  6.9501  -10.7785   63.986   -140.1769  149.579  18.203     70.789   16.443  8.2730  16.609  7.6404  -0.1660385     11.26136 
1 1 1 -26 -18 10 o 24.525  7.2521  104.250    46.171   107.995    94.964   103.091    52.836   21.843  9.5241  23.585  7.8709  -1.742090      12.35551 
1 1 1 -26 -18 11 f 15.797  6.6061  29.566     42.380   -52.3970   78.665   63.083     50.305   14.539  7.0637  19.336  7.5002  -4.796713      10.30282 
1 1 1 -26 -18 12 o 15.112  6.6460  16.449     47.132   56.508     91.072   1.7948     55.082   19.516  8.8584  14.849  6.7971  4.666566       11.16559 
1 1 1 -26 -18 13 o 12.457  5.7866  -14.7427   42.075   -150.8024  87.507   26.170     47.985   12.966  6.4973  15.992  6.8710  -3.025957      9.456496 
1 1 1 -26 -18 14 o 10.730  5.1429  -36.2962   38.405   106.057    93.513   -65.1782   42.121   22.378  9.6026  10.070  4.9504  12.30790       10.80358 
1 1 1 -26 -18 15 o 19.292  7.1458  59.810     44.410   96.160     104.556  51.808     49.055   21.860  9.7410  18.462  7.3322  3.398041       12.19217 
1 1 1 -26 -18 16 o 23.683  9.1868  113.597    75.476   138.095    132.256  101.765    91.913   23.490  10.667  22.366  9.5567  1.123976       14.32199 
1 1 1 -26 -18 17 o 28.504  9.6228  168.757    78.984   204.724    134.409  149.786    97.616   26.422  11.426  25.328  10.245  1.093756       15.34657 
1 1 1 -26 -18 18 o 16.676  7.1847  28.178     52.747   174.175    120.779  -6.2305    58.635   25.693  10.966  14.960  6.9076  10.73238       12.96023 
1 1 1 -26 -18 19 o 21.882  7.8901  83.058     53.592   127.944    106.410  67.803     62.033   23.805  10.230  20.269  8.1782  3.536407       13.09716 
1 1 1 -26 -18 20 o 16.842  7.2770  28.383     54.422   -1.2096    106.286  38.898     63.357   18.341  8.7261  18.104  7.8369  0.2376232      11.72864 
1 1 1 -26 -18 21 o 10.374  5.1653  -100.8409  51.555   -54.7378   100.542  -117.2873  60.051   16.439  7.9863  11.042  5.5104  5.396165       9.702886 
1 1 1 -26 -18 22 o 14.976  7.2421  -54.3461   80.291   193.398    214.164  -94.8616   86.607   24.327  11.780  14.345  7.0608  9.982246       13.73389 
1 1 1 -26 -18 23 o 15.977  7.5440  -18.3768   76.629   -231.9520  218.524  11.568     81.825   18.574  9.4161  17.603  8.1392  0.9705315      12.44632 
1 1 1 -26 -18 24 o 32.515  10.734  238.789    98.371   117.176    234.049  264.882    108.411  22.907  11.337  33.174  11.273  -10.26636      15.98790 
1 1 1 -26 -18 25 f 19.343  7.9175  57.342     59.132   72.908     118.838  52.220     68.170   21.270  9.8257  19.191  8.2159  2.079531       12.80799 
1 1 1 -26 -18 26 o 16.207  7.2899  13.493     60.058   134.610    120.878  -26.2055   69.204   23.756  10.536  14.996  7.1071  8.759885       12.70902 
1 1 1 -26 -18 27 o 23.501  8.7782  106.028    67.294   277.620    133.461  47.530     77.925   30.414  12.089  19.130  8.4731  11.28412       14.76296 
1 1 1 -26 -18 28 o 22.758  8.7468  99.066     67.940   33.271     127.501  125.156    80.288   19.924  9.5007  24.384  9.4706  -4.460373      13.41475 
1 1 1 -26 -18 29 f 21.407  8.8113  85.304     73.743   87.892     228.762  85.004     77.902   21.983  10.935  21.347  8.9439  0.6365108      14.12703 
1 1 1 -26 -18 30 o 9.8480  4.8556  -68.7440   41.541   -62.1471   50.439   -82.6526   73.239   11.392  5.5615  13.311  6.5402  -1.918923      8.585090 
1 1 1 -26 -18 31 o 14.324  6.4117  6.6842     45.848   2.1281     57.571   14.583     75.805   15.142  6.9377  17.060  7.8691  -1.917972      10.49069 
1 1 1 -26 -18 32 o 16.009  6.8761  26.979     48.031   34.660     59.397   12.467     81.642   17.245  7.5253  17.198  8.0128  0.4622841E-01  10.99252 
1 1 1 -26 -18 33 o 17.847  7.3495  47.420     51.336   71.078     60.214   -15.5408   98.230   20.011  8.0633  16.931  8.1435  3.080494       11.46009 
1 1 1 -26 -18 34 o 17.915  7.5142  47.998     55.083   50.837     63.649   39.526     109.937  18.352  7.8997  18.994  8.9890  -0.6417789     11.96689 
1 1 1 -26 -18 35 o 31.775  8.2451  187.010    64.118   228.379    76.662   90.705     116.969  33.744  9.1380  20.677  9.6195  13.06623       13.26792 
1 1 1 -26 -18 36 o 11.018  5.3595  -50.3451   45.651   -65.1727   56.331   -21.9733   77.920   11.818  5.7923  15.267  7.3195  -3.448782      9.334080 
1 1 1 -26 -18 37 o 25.819  8.0055  127.628    55.356   161.939    69.803   69.479     90.872   27.423  9.0418  19.387  8.8188  8.035454       12.63033 
1 1 1 -26 -18 38 o 12.927  5.9951  -7.6864    44.884   4.7104     53.110   -38.6673   83.960   14.449  6.6360  14.920  7.2599  -0.4711971     9.835796 
1 1 1 -26 -18 39 o 24.703  9.6171  157.474    82.941   190.199    98.239   76.252     154.768  25.412  10.278  19.450  9.5469  5.961525       14.02809 
1 1 1 -26 -18 40 o 20.372  9.6494  119.323    127.216  312.268    281.406  69.762     142.622  21.166  10.725  19.032  9.3045  2.133373       14.19891 
1 1 1 -26 -18 41 o 18.487  8.9438  60.541     122.788  -6.9849    261.588  79.624     139.059  ?       ?       19.005  9.2685  0.000000       9.268513 
1 1 1 -26 -18 42 o 14.434  6.5381  14.677     49.298   26.834     60.478   -9.3954    85.104   15.796  7.1887  15.425  7.4583  0.3711519      10.35874 
1 1 1 -26 -18 43 o 14.173  6.3997  14.307     46.809   3.3483     56.541   38.180     83.451   14.231  6.6429  16.959  7.9657  -2.728121      10.37209 
1 1 1 -26 -18 44 o 14.286  6.5282  12.763     50.527   2.9193     56.073   55.267     116.517  14.123  6.6003  17.850  8.6546  -3.726274      10.88425 
1 1 1 -26 -18 45 o 15.883  7.2331  31.078     61.353   31.078     61.353   0.0000     0.0000   15.883  7.2331  ?       ?       0.000000       7.233131 
1 1 1 -26 -18 46 o 15.238  7.0136  20.891     59.767   20.891     59.767   0.0000     0.0000   15.238  7.0136  ?       ?       0.000000       7.013605 
1 1 1 -26 -18 47 o 32.004  8.4177  211.834    66.243   199.396    78.778   241.858    122.393  27.575  9.6007  24.060  10.640  3.515091       14.33089 
1 1 1 -26 -18 48 f 15.405  6.8052  30.383     49.945   55.164     63.416   -10.0941   81.050   17.391  7.6761  15.031  7.2706  2.359769       10.57283 
1 1 1 -26 -18 49 o 14.393  6.6487  10.049     54.407   27.374     64.388   -33.1976   101.731  15.837  7.2858  15.337  7.5690  0.4997301      10.50583 
1 1 1 -26 -18 50 o 21.937  8.2014  108.262    58.769   122.261    67.278   63.182     120.728  22.333  8.6706  18.040  8.7612  4.292973       12.32635 
1 1 1 -26 -18 51 o 11.826  5.6394  -21.5559   44.936   -8.2168    54.556   -49.6992   79.243   13.390  6.3355  13.699  6.7451  -0.3091087     9.253879 
1 1 1 -26 -18 52 o 11.142  5.3865  -33.6323   44.350   -70.7077   54.229   41.248     77.068   10.946  5.4243  16.572  7.7424  -5.625850      9.453486 
1 1 1 -26 -18 53 o 15.574  7.6276  3.4627     97.129   -44.1089   323.644  8.1714     101.823  ?       ?       15.813  7.7579  0.000000       7.757920 
1 1 1 -26 -18 54 o 17.786  8.5808  94.892     111.120  385.885    346.886  61.617     117.302  ?       ?       16.916  8.3047  0.000000       8.304721 
1 1 1 -26 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -17 6  o 10.940  5.0682  -12.5875   31.950   0.0000     0.0000   -12.5875   31.950   ?       ?       10.940  5.0682  0.000000       5.068203 
1 1 1 -26 -17 7  o 21.376  6.2219  73.387     34.224   109.313    74.918   63.912     38.473   22.491  9.0182  19.613  6.7156  2.878181       11.24398 
1 1 1 -26 -17 8  o 19.095  7.4746  61.190     50.311   113.792    80.102   26.919     64.655   22.776  9.2565  16.893  7.5841  5.883017       11.96670 
1 1 1 -26 -17 9  o 19.838  8.4121  68.121     70.258   275.653    163.334  21.004     77.826   26.549  11.975  17.355  7.9936  9.194702       14.39751 
1 1 1 -26 -17 10 o 14.710  6.2737  19.380     39.480   -68.2569   80.709   46.947     45.266   14.337  7.0069  17.761  7.0466  -3.424083      9.937397 
1 1 1 -26 -17 11 o 22.313  7.6328  87.103     49.700   85.594     92.500   87.715     58.929   21.249  9.3286  21.893  8.2072  -0.6447678     12.42500 
1 1 1 -26 -17 12 o 17.893  6.9510  47.441     43.259   115.562    87.859   25.642     49.700   23.285  9.6049  16.184  6.9735  7.101334       11.86946 
1 1 1 -26 -17 13 o 14.162  6.0553  14.962     36.944   -309.4865  89.663   81.308     40.546   ?       ?       22.397  6.8358  0.000000       6.835834 
1 1 1 -26 -17 14 o 25.200  7.5807  108.147    50.128   95.689     107.376  111.618    56.685   22.153  9.8716  24.959  8.1441  -2.806091      12.79744 
1 1 1 -26 -17 15 o 16.003  6.9028  22.510     48.801   69.729     99.258   7.4567     56.043   20.964  9.4055  15.568  7.0187  5.396069       11.73571 
1 1 1 -26 -17 16 o 14.151  6.7609  -39.7809   65.228   -39.9298   109.412  -39.6988   81.244   17.447  8.4411  15.599  7.4776  1.847616       11.27683 
1 1 1 -26 -17 17 f 23.931  9.3660  113.037    78.986   153.586    130.311  89.488     99.308   24.831  10.980  22.108  9.6867  2.723104       14.64179 
1 1 1 -26 -17 18 o 46.182  5.9892  312.691    65.532   477.137    124.040  249.021    77.182   48.727  10.777  37.790  8.6095  10.93671       13.79385 
1 1 1 -26 -17 19 o 17.233  7.3397  32.090     53.897   74.871     105.795  17.095     62.634   21.539  9.6832  16.803  7.5096  4.736557       12.25391 
1 1 1 -26 -17 20 o 23.177  8.5930  96.963     64.250   102.102    116.554  94.720     77.007   22.872  10.232  22.655  9.1222  0.2165947      13.70759 
1 1 1 -26 -17 21 o 21.750  7.9867  80.054     55.272   -156.6633  131.775  130.592    60.887   16.327  8.1500  27.078  8.3959  -10.75089      11.70104 
1 1 1 -26 -17 22 o 18.384  8.3840  22.764     82.807   -276.2146  228.209  68.098     88.863   18.739  9.5129  20.964  9.1748  -2.224174      13.21638 
1 1 1 -26 -17 23 o 41.830  10.472  349.062    106.049  373.553    250.314  343.704    117.076  27.788  13.268  39.026  11.550  -11.23756      17.59087 
1 1 1 -26 -17 24 o 17.241  7.9583  5.4561     77.745   -108.2054  216.910  22.210     83.278   20.140  10.111  18.356  8.3854  1.784191       13.13576 
1 1 1 -26 -17 25 o 39.714  7.4701  253.183    69.342   243.283    136.479  256.628    80.508   29.052  11.976  37.948  8.8979  -8.895735      14.91963 
1 1 1 -26 -17 26 o 17.843  7.7391  34.404     62.027   160.590    227.807  24.300     64.463   23.964  11.725  17.326  7.6888  6.637844       14.02112 
1 1 1 -26 -17 27 o 10.062  4.8937  -50.7392   38.017   -49.2270   48.491   -53.1515   61.244   11.753  5.6696  13.201  6.3691  -1.448272      8.527051 
1 1 1 -26 -17 28 o 14.536  6.3060  13.299     41.198   93.642     52.340   -117.5465  66.794   23.243  7.8335  11.839  5.8923  11.40382       9.802155 
1 1 1 -26 -17 29 o 14.498  6.4092  8.9542     44.378   -11.2829   56.981   40.153     70.750   14.547  6.7495  18.498  8.1387  -3.950459      10.57329 
1 1 1 -26 -17 30 o 24.630  7.5083  103.411    48.938   97.766     64.785   110.912    74.681   22.838  8.5967  23.575  9.1402  -0.7370281     12.54774 
1 1 1 -26 -17 31 o 17.629  7.2505  42.519     49.884   -28.7311   63.206   160.193    81.229   14.257  6.7671  27.277  9.7269  -13.02053      11.84932 
1 1 1 -26 -17 32 o 19.500  7.4738  62.370     49.518   82.919     63.404   30.234     79.288   21.302  8.3751  18.077  8.2285  3.225098       11.74102 
1 1 1 -26 -17 33 o 20.926  8.0670  78.686     57.917   55.851     67.212   144.540    114.141  19.060  8.1589  23.736  10.393  -4.675640      13.21282 
1 1 1 -26 -17 34 o 14.307  6.5655  -1.9918    51.843   -1.9270    60.292   -2.1755    101.550  15.079  6.9772  17.565  8.4040  -2.486091      10.92286 
1 1 1 -26 -17 35 o 21.234  8.1162  84.479     58.296   112.463    68.378   10.017     111.541  23.333  8.8207  18.182  8.7279  5.151121       12.40892 
1 1 1 -26 -17 36 o 19.674  7.6094  68.114     51.666   123.226    64.026   -34.7669   87.479   24.586  8.6497  15.582  7.5412  9.003959       11.47556 
1 1 1 -26 -17 37 o 19.883  7.8060  72.263     55.004   126.147    70.519   -11.4470   87.895   24.038  8.9846  16.245  7.7846  7.793119       11.88789 
1 1 1 -26 -17 38 o 13.662  6.4365  -15.2252   55.207   -71.5109   71.334   68.834     87.175   13.095  6.4383  19.357  8.7377  -6.262030      10.85358 
1 1 1 -26 -17 39 o 16.025  7.2309  23.872     59.637   95.628     79.641   -67.7287   89.982   20.736  8.8789  14.522  7.1574  6.214507       11.40453 
1 1 1 -26 -17 40 o 17.777  8.6651  17.501     121.067  -49.9683   273.796  33.899     134.980  ?       ?       18.401  9.0079  0.000000       9.007889 
1 1 1 -26 -17 41 o 18.917  9.1266  68.545     125.756  255.538    283.171  22.605     140.357  20.661  10.499  18.027  8.8952  2.634336       13.76057 
1 1 1 -26 -17 42 o 23.908  8.5896  128.398    63.457   160.617    88.003   93.501     91.588   23.806  9.6918  19.704  8.9195  4.102594       13.17154 
1 1 1 -26 -17 43 o 13.508  6.5309  -30.5624   65.210   64.841     81.316   -202.4711  109.155  18.248  8.3167  12.957  6.5778  5.291070       10.60358 
1 1 1 -26 -17 44 o 14.633  7.0347  -12.4849   73.058   -12.4849   73.058   0.0000     0.0000   14.633  7.0347  ?       ?       0.000000       7.034677 
1 1 1 -26 -17 45 o 17.094  8.0169  41.916     83.981   41.916     83.981   0.0000     0.0000   17.094  8.0169  ?       ?       0.000000       8.016885 
1 1 1 -26 -17 46 o 22.301  10.006  180.019    112.354  232.842    283.319  170.162    122.389  ?       ?       21.353  9.9018  0.000000       9.901780 
1 1 1 -26 -17 47 o 15.414  7.0338  23.827     58.395   14.442     82.170   33.404     83.002   15.970  7.6186  16.709  7.8781  -0.7390203     10.95934 
1 1 1 -26 -17 48 o 12.281  5.9470  -36.4857   54.595   -36.8525   72.762   -36.0131   82.586   13.770  6.7130  14.407  7.0512  -0.6374350     9.735697 
1 1 1 -26 -17 49 o 28.914  9.6908  212.237    80.097   129.964    93.250   443.739    156.422  21.139  9.3204  29.338  12.500  -8.198963      15.59201 
1 1 1 -26 -17 50 o 16.680  7.6056  40.074     68.108   68.095     79.900   -34.4002   130.259  18.251  8.2892  16.292  8.1276  1.959099       11.60896 
1 1 1 -26 -17 51 o 17.353  7.5842  54.753     60.536   121.534    85.531   -12.2747   85.689   20.856  9.0668  15.180  7.3742  5.676215       11.68701 
1 1 1 -26 -17 52 o 19.573  7.9477  85.379     58.987   74.369     79.967   98.520     87.365   18.244  8.2886  19.298  8.7258  -1.053843      12.03495 
1 1 1 -26 -17 53 o 13.402  6.7044  -85.6673   91.396   350.944    329.719  -122.0067  95.123   ?       ?       12.955  6.5283  0.000000       6.528272 
1 1 1 -26 -17 54 o 17.334  8.3695  72.926     106.264  -162.7964  344.488  97.715     111.712  ?       ?       17.996  8.6628  0.000000       8.662836 
1 1 1 -26 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -16 6  o 16.106  5.9857  37.475     31.212   0.0000     0.0000   37.475     31.212   ?       ?       16.106  5.9857  0.000000       5.985667 
1 1 1 -26 -16 7  o 34.510  5.3147  173.010    43.074   242.908    85.864   149.505    49.793   34.001  9.8433  30.306  6.9230  3.694376       12.03401 
1 1 1 -26 -16 8  o 30.513  9.0313  181.816    71.577   105.571    162.465  200.180    79.733   21.897  10.517  31.075  9.6033  -9.177999      14.24191 
1 1 1 -26 -16 9  o 17.771  6.9471  46.523     43.419   1.8156     160.928  50.033     45.091   19.834  9.7353  18.191  7.0884  1.643267       12.04252 
1 1 1 -26 -16 10 o 31.595  6.7192  156.790    49.927   149.960    99.607   159.082    57.698   25.200  10.291  30.553  7.7663  -5.353296      12.89259 
1 1 1 -26 -16 11 o 16.363  6.4511  35.030     37.715   -33.3423   86.594   51.037     41.898   16.133  7.7298  18.383  6.9146  -2.250353      10.37118 
1 1 1 -26 -16 12 o 14.677  6.1899  18.755     37.709   -14.9886   85.159   26.985     42.057   16.764  7.9269  15.867  6.6034  0.8973455      10.31698 
1 1 1 -26 -16 13 o 13.495  6.1226  -4.4289    43.445   -144.7100  88.344   40.317     49.895   13.414  6.6922  17.663  7.2564  -4.248919      9.871179 
1 1 1 -26 -16 14 o 18.435  7.3624  48.118     49.714   135.106    97.241   17.337     57.844   24.978  10.181  16.462  7.2952  8.516506       12.52453 
1 1 1 -26 -16 15 o 29.179  7.6932  141.387    55.244   85.064     109.475  160.629    63.989   22.160  9.9143  30.285  8.4091  -8.124784      13.00025 
1 1 1 -26 -16 16 o 17.929  8.0058  25.122     71.019   206.604    116.485  -82.2500   89.598   28.809  11.344  15.114  7.3860  13.69489       13.53640 
1 1 1 -26 -16 17 o 29.499  9.7526  172.736    81.189   317.940    131.582  83.471     103.169  34.936  12.388  22.159  9.7851  12.77748       15.78661 
1 1 1 -26 -16 18 o 17.103  7.1916  31.659     50.660   37.951     102.062  29.602     58.356   20.081  9.2140  17.464  7.5406  2.616327       11.90623 
1 1 1 -26 -16 19 f 9.5261  4.7368  -87.7866   42.757   2.6443     92.545   -112.3279  48.211   18.213  8.5009  9.6605  4.8381  8.552971       9.781270 
1 1 1 -26 -16 20 o 20.088  8.0507  61.193     59.674   69.856     113.768  57.905     70.089   21.780  9.8919  20.093  8.4545  1.686758       13.01261 
1 1 1 -26 -16 21 o 21.402  8.4002  75.486     63.683   52.055     121.221  84.418     74.842   21.252  9.8547  22.140  8.9655  -0.8881397     13.32272 
1 1 1 -26 -16 22 o 17.728  8.2507  -0.1387    86.189   -475.5327  237.845  71.725     92.475   ?       ?       21.482  9.3817  0.000000       9.381700 
1 1 1 -26 -16 23 o 17.462  8.0958  0.6777     81.754   -35.5695   232.067  5.8135     87.354   21.706  10.832  18.040  8.3654  3.665367       13.68604 
1 1 1 -26 -16 24 o 15.297  7.3298  -45.6462   77.880   -285.7958  210.172  -7.4227    83.849   18.290  9.2685  17.240  8.0616  1.050205       12.28393 
1 1 1 -26 -16 25 o 14.469  6.3431  8.8893     42.635   16.866     57.662   -0.7307    63.325   16.507  7.3012  15.935  7.2918  0.5726213      10.31880 
1 1 1 -26 -16 26 f 13.059  5.9967  -11.7793   43.347   -29.9270   57.312   12.478     66.261   13.826  6.5270  16.884  7.6199  -3.057761      10.03315 
1 1 1 -26 -16 27 o 22.697  7.4425  84.942     47.318   148.089    62.885   2.5296     71.840   28.955  8.4357  16.740  7.6992  12.21525       11.42098 
1 1 1 -26 -16 28 o 22.509  7.6271  84.889     49.621   39.623     64.957   148.320    76.894   18.417  7.9538  27.317  9.4866  -8.900185      12.37978 
1 1 1 -26 -16 29 o 17.982  7.0677  45.724     45.141   31.454     58.438   66.836     71.080   17.431  7.5360  20.474  8.5581  -3.043825      11.40316 
1 1 1 -26 -16 30 o 13.908  6.1716  4.9615     41.526   -3.5479    54.700   16.537     63.799   14.793  6.7722  16.753  7.5268  -1.960019      10.12498 
1 1 1 -26 -16 31 o 18.144  7.2871  47.108     49.005   109.199    63.240   -46.2130   77.529   24.165  8.5862  14.990  7.2158  9.175736       11.21570 
1 1 1 -26 -16 32 f 25.013  7.8738  110.188    53.323   123.862    67.943   88.258     86.043   25.173  8.9046  21.651  9.2486  3.522636       12.83856 
1 1 1 -26 -16 33 o 17.846  7.6682  40.260     59.773   21.002     66.072   127.054    140.270  16.942  7.6309  22.838  10.594  -5.896477      13.05607 
1 1 1 -26 -16 34 f 35.859  8.4801  231.705    72.625   248.248    82.118   172.310    155.603  35.625  9.3734  23.803  11.081  11.82203       14.51337 
1 1 1 -26 -16 35 o 31.247  9.0106  191.310    72.079   144.959    81.124   365.078    157.074  25.432  9.6092  31.082  12.834  -5.650356      16.03262 
1 1 1 -26 -16 36 f 17.527  7.2235  44.750     49.642   85.362     64.158   -15.8326   78.361   21.135  8.3880  15.747  7.4920  5.388377       11.24672 
1 1 1 -26 -16 37 o 15.532  6.9702  16.364     54.551   59.472     82.318   -17.3906   72.843   19.175  8.5867  15.203  7.2305  3.971684       11.22547 
1 1 1 -26 -16 38 o 34.365  8.0070  213.106    65.526   147.897    93.629   275.706    91.736   23.920  9.8952  34.888  10.196  -10.96809      14.20797 
1 1 1 -26 -16 39 o 23.787  10.290  167.559    109.060  -153.1635  280.638  224.611    118.364  ?       ?       26.147  10.993  0.000000       10.99340 
1 1 1 -26 -16 40 o 25.554  10.929  224.848    120.415  265.540    289.982  216.369    132.366  21.349  10.825  24.241  10.869  -2.892340      15.34066 
1 1 1 -26 -16 41 o 14.568  7.1784  -61.4590   90.323   -269.3279  270.872  -35.4545   95.806   ?       ?       15.531  7.5999  0.000000       7.599931 
1 1 1 -26 -16 42 o 20.217  8.4529  89.904     69.372   124.206    82.056   3.9634     129.884  21.994  9.1943  17.432  8.5931  4.562174       12.58481 
1 1 1 -26 -16 43 o 14.350  6.9630  -29.8742   75.778   -29.8742   75.778   0.0000     0.0000   14.350  6.9630  ?       ?       0.000000       6.962956 
1 1 1 -26 -16 44 o 15.258  7.3531  -9.2210    81.056   -9.2210    81.056   0.0000     0.0000   15.258  7.3531  ?       ?       0.000000       7.353071 
1 1 1 -26 -16 45 o 13.478  6.4053  -13.9723   56.966   -23.7387   82.496   -5.0712    78.757   14.825  7.2097  15.235  7.3189  -0.4103518     10.27358 
1 1 1 -26 -16 46 o 14.912  7.1798  -10.9197   76.848   -277.7901  298.476  8.0273     79.530   ?       ?       15.714  7.4960  0.000000       7.495961 
1 1 1 -26 -16 47 o 15.009  6.8718  17.483     56.339   86.398     77.226   -60.9248   82.373   19.350  8.5086  13.773  6.7994  5.577473       10.89168 
1 1 1 -26 -16 48 o 17.623  7.6019  56.160     59.192   -20.6393   79.663   150.824    88.444   14.768  7.1595  22.786  9.5373  -8.018320      11.92551 
1 1 1 -26 -16 49 o 29.375  9.7769  218.011    81.544   75.506     94.672   627.636    160.509  18.708  8.6868  39.240  13.702  -20.53265      16.22329 
1 1 1 -26 -16 50 o 13.989  6.7307  -20.8756   67.237   21.841     76.577   -164.6494  140.487  16.170  7.6067  14.864  7.5368  1.306971       10.70817 
1 1 1 -26 -16 51 o 12.937  6.1764  -19.6826   54.220   14.778     73.863   -59.9474   79.842   15.685  7.4061  13.590  6.7065  2.094522       9.991332 
1 1 1 -26 -16 52 o 16.557  7.2702  44.855     56.203   17.172     78.023   74.711     81.027   15.796  7.5036  18.358  8.3416  -2.562560      11.21992 
1 1 1 -26 -16 53 o 13.978  6.9515  -62.4608   92.214   152.562    333.318  -80.2824   95.960   ?       ?       13.805  6.9006  0.000000       6.900612 
1 1 1 -26 -16 54 o 13.852  6.9231  -67.3013   96.389   -445.4210  331.533  -32.3881   100.741  ?       ?       14.733  7.3168  0.000000       7.316793 
1 1 1 -26 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -15 5  o 13.725  5.6965  18.178     31.178   0.0000     0.0000   18.178     31.178   ?       ?       13.725  5.6965  0.000000       5.696510 
1 1 1 -26 -15 6  o 13.607  5.4606  20.106     27.493   -24.9542   55.513   34.749     31.646   13.560  6.4082  15.864  5.9999  -2.304031      8.778581 
1 1 1 -26 -15 7  o 10.424  4.8747  -18.9157   30.669   16.702     72.162   -26.7677   33.882   17.096  7.8082  10.506  4.9773  6.589780       9.259635 
1 1 1 -26 -15 8  o 15.232  6.9089  4.3425     55.265   -55.2877   141.034  15.160     60.069   18.319  9.0155  16.292  7.3124  2.026848       11.60825 
1 1 1 -26 -15 9  o 21.378  7.0218  74.187     42.113   111.309    90.768   64.004     47.539   23.278  9.6953  19.938  7.3917  3.339291       12.19164 
1 1 1 -26 -15 10 o 9.0894  4.4012  -39.5773   29.889   -75.0523   84.659   -34.5260   31.946   14.785  7.2153  9.7681  4.6842  5.017080       8.602476 
1 1 1 -26 -15 11 o 6.8854  3.4919  -102.2462  30.242   -82.7614   80.512   -105.4469  32.631   14.254  6.9733  7.2510  3.6720  7.003006       7.881008 
1 1 1 -26 -15 12 o 14.957  6.5030  13.358     44.011   -3.9694    89.292   18.919     50.582   17.660  8.2775  16.023  6.9691  1.637804       10.82061 
1 1 1 -26 -15 13 o 23.835  7.6323  94.490     49.934   80.937     92.828   100.009    59.234   21.940  9.4918  23.901  8.3248  -1.960619      12.62526 
1 1 1 -26 -15 14 o 19.593  7.4905  57.954     49.660   5.7039     94.125   78.108     58.459   18.448  8.5978  21.685  8.1655  -3.236813      11.85739 
1 1 1 -26 -15 15 o 19.301  8.2483  46.676     68.492   -73.8200   104.299  138.035    90.817   16.561  8.0660  25.939  10.073  -9.377419      12.90447 
1 1 1 -26 -15 16 o 46.615  8.6717  366.417    94.473   349.496    149.824  377.586    121.722  35.156  13.105  42.053  11.567  -6.897255      17.47950 
1 1 1 -26 -15 17 o 34.656  9.3618  218.556    80.580   278.185    139.661  188.801    98.658   31.981  12.471  29.550  10.698  2.430828       16.43093 
1 1 1 -26 -15 18 o 24.621  7.8247  100.755    52.560   -0.3057    111.603  129.559    59.581   19.276  9.1024  27.520  8.2614  -8.244362      12.29249 
1 1 1 -26 -15 19 o 35.024  7.0764  189.176    58.066   129.559    107.493  213.741    69.000   25.036  10.499  36.097  8.0795  -11.06099      13.24773 
1 1 1 -26 -15 20 f 14.579  6.7832  -19.1893   58.190   116.881    115.337  -65.6514   67.396   24.262  10.538  13.654  6.6108  10.60784       12.44003 
1 1 1 -26 -15 21 o 22.554  8.6988  86.481     67.368   -18.2765   237.849  95.618     70.245   22.406  11.146  23.329  8.9111  -0.9234428     14.27034 
1 1 1 -26 -15 22 o 40.762  11.743  361.352    122.475  409.250    265.687  348.428    138.013  29.456  13.950  37.035  12.718  -7.579126      18.87713 
1 1 1 -26 -15 23 o 28.329  11.246  188.401    115.355  102.450    260.293  209.408    128.682  24.203  11.974  28.807  11.723  -4.603874      16.75730 
1 1 1 -26 -15 24 o 40.252  8.7587  276.613    83.113   0.0000     0.0000   276.613    83.113   ?       ?       40.252  8.7587  0.000000       8.758741 
1 1 1 -26 -15 25 o 43.551  5.6166  269.427    57.968   251.206    83.345   286.501    80.679   37.542  9.2173  41.633  8.2781  -4.090260      12.38892 
1 1 1 -26 -15 26 o 10.852  5.1990  -39.7588   39.139   -19.8314   49.110   -74.4488   64.796   13.404  6.2348  13.011  6.3414  0.3925838      8.892999 
1 1 1 -26 -15 27 o 24.129  7.6168  96.348     49.868   78.951     64.748   121.716    78.186   21.717  8.4854  25.126  9.4468  -3.409008      12.69818 
1 1 1 -26 -15 28 o 23.075  7.6192  88.307     49.560   95.904     63.859   76.802     78.586   23.262  8.5782  21.534  8.9996  1.727997       12.43295 
1 1 1 -26 -15 29 o 15.799  6.8302  18.988     47.999   7.5141     60.395   38.664     79.086   16.112  7.2728  19.096  8.4931  -2.984045      11.18148 
1 1 1 -26 -15 30 o 20.046  7.5082  63.674     49.297   112.923    62.008   -20.9256   81.271   24.955  8.5257  16.381  7.7453  8.573423       11.51858 
1 1 1 -26 -15 31 o 15.855  6.9028  19.026     49.717   -37.2311   61.722   122.967    83.897   13.903  6.6242  24.491  9.6324  -10.58834      11.69026 
1 1 1 -26 -15 32 f 21.485  7.7883  78.642     52.318   99.069     65.443   42.470     87.086   23.091  8.6503  19.315  8.7247  3.775892       12.28614 
1 1 1 -26 -15 33 o 14.407  6.6408  -7.3295    53.839   24.391     57.692   -221.3423  149.852  16.716  7.3522  16.045  8.0986  0.6705685      10.93812 
1 1 1 -26 -15 34 o 16.925  7.4277  27.850     58.597   45.539     64.005   -63.7505   145.651  18.412  7.9236  18.172  8.9844  0.2398262      11.97925 
1 1 1 -26 -15 35 o 24.146  8.1507  107.742    56.665   129.161    73.872   77.123     88.325   24.873  9.2156  20.700  9.1011  4.172522       12.95206 
1 1 1 -26 -15 36 o 17.947  7.5850  45.717     56.822   37.186     84.102   52.882     77.075   18.406  8.4156  19.013  8.4237  -0.6065426     11.90717 
1 1 1 -26 -15 37 o 32.070  8.0887  185.186    62.933   141.872    92.535   222.461    85.844   24.104  9.8898  31.615  9.9948  -7.511677      14.06073 
1 1 1 -26 -15 38 o 16.658  7.3494  30.413     58.074   147.191    85.318   -70.4001   79.273   24.717  9.7160  13.938  6.8395  10.77874       11.88191 
1 1 1 -26 -15 39 o 23.316  10.227  155.555    110.938  151.078    281.219  156.380    120.729  21.081  10.687  22.940  10.326  -1.859060      14.86018 
1 1 1 -26 -15 40 o 30.352  11.519  290.668    116.889  504.487    296.440  251.303    127.195  23.763  11.915  26.587  11.298  -2.823812      16.41976 
1 1 1 -26 -15 41 o ?       ?       -746.4727  235.004  -746.4727  235.004  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -15 42 o 15.535  7.4804  -12.5268   83.458   -12.5268   83.458   0.0000     0.0000   15.535  7.4804  ?       ?       0.000000       7.480352 
1 1 1 -26 -15 43 o 13.811  6.7586  -49.4771   75.796   -49.4771   75.796   0.0000     0.0000   13.811  6.7586  ?       ?       0.000000       6.758636 
1 1 1 -26 -15 44 o 16.265  7.1924  35.804     55.929   -40.0308   78.705   113.162    79.492   14.225  6.9453  21.201  8.9666  -6.976151      11.34178 
1 1 1 -26 -15 45 o 15.780  7.0018  30.849     53.441   21.268     85.943   36.888     68.238   16.543  7.8635  16.673  7.6065  -0.1299915     10.94045 
1 1 1 -26 -15 46 o 30.334  8.5544  191.764    65.685   235.246    91.525   145.581    94.324   28.865  10.322  22.128  9.5705  6.736879       14.07586 
1 1 1 -26 -15 47 o 18.133  7.8133  62.562     62.390   51.083     87.459   74.456     89.027   17.697  8.2611  18.706  8.5914  -1.009207      11.91879 
1 1 1 -26 -15 48 o 14.251  6.8360  -16.9460   68.150   22.302     77.163   -156.1234  145.307  16.286  7.6528  15.208  7.7067  1.077272       10.86090 
1 1 1 -26 -15 49 o 17.950  8.0729  58.023     73.617   62.555     84.120   43.199     152.145  18.247  8.3697  18.279  9.0628  -0.3188896E-01 12.33641 
1 1 1 -26 -15 50 o 13.172  6.2963  -21.5418   56.701   -59.2204   77.578   21.668     83.077   13.568  6.6791  16.468  7.7996  -2.900814      10.26862 
1 1 1 -26 -15 51 o 14.185  6.6177  2.5691     55.980   11.838     77.795   -7.3846    80.615   15.798  7.5012  15.236  7.3403  0.5616856      10.49517 
1 1 1 -26 -15 52 o 16.425  7.3005  41.325     58.343   39.513     80.655   43.315     84.499   16.834  7.8827  17.061  8.0143  -0.2269993     11.24125 
1 1 1 -26 -15 53 o 15.234  7.5553  -33.3143   106.019  0.0000     0.0000   -33.3143   106.019  ?       ?       15.234  7.5553  0.000000       7.555318 
1 1 1 -26 -15 54 f 14.829  7.3862  -38.6800   105.818  0.0000     0.0000   -38.6800   105.818  ?       ?       14.829  7.3862  0.000000       7.386187 
1 1 1 -26 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -14 5  o 25.520  7.9438  116.102    54.446   0.0000     0.0000   116.102    54.446   ?       ?       25.520  7.9438  0.000000       7.943787 
1 1 1 -26 -14 6  o 17.800  6.2246  47.423     33.132   34.230     71.012   51.094     37.460   18.102  8.0496  18.314  6.5975  -0.2123604     10.40786 
1 1 1 -26 -14 7  o 19.728  7.4907  62.049     49.451   92.748     78.848   42.145     63.489   22.237  9.1272  18.372  7.8988  3.864956       12.07049 
1 1 1 -26 -14 8  o 17.866  7.7698  33.907     62.854   0.0000     0.0000   33.907     62.854   ?       ?       17.866  7.7698  0.000000       7.769760 
1 1 1 -26 -14 9  o 37.002  5.6768  197.461    49.340   263.819    99.768   175.976    56.769   35.274  10.713  33.276  7.2371  1.998371       12.92866 
1 1 1 -26 -14 10 o 37.768  6.1086  209.704    54.069   299.209    104.714  177.166    63.136   37.912  10.839  32.500  8.0485  5.411449       13.50063 
1 1 1 -26 -14 11 o 34.441  6.5780  179.005    52.966   222.176    102.258  163.176    61.920   31.675  10.943  31.119  8.1160  0.5557995      13.62447 
1 1 1 -26 -14 12 o 15.708  6.6871  20.288     44.704   -95.9721   90.341   57.987     51.444   14.926  7.3196  19.688  7.5992  -4.762736      10.55100 
1 1 1 -26 -14 13 o 23.510  7.5908  90.250     49.315   138.846    91.976   70.642     58.423   26.108  10.138  21.081  8.1089  5.027145       12.98168 
1 1 1 -26 -14 14 o 36.489  6.8243  201.632    58.199   277.145    105.404  168.512    69.805   36.524  10.994  30.898  8.8550  5.625538       14.11635 
1 1 1 -26 -14 15 o 50.992  7.7100  409.414    92.415   456.518    155.377  383.628    114.961  42.206  13.458  44.442  10.773  -2.236217      17.23849 
1 1 1 -26 -14 16 o 14.941  7.0109  -26.5492   64.379   -83.2310   113.045  0.6590     78.321   17.087  8.3386  17.454  8.0318  -0.3663387     11.57766 
1 1 1 -26 -14 17 o 27.622  8.2190  128.628    59.164   126.846    139.208  129.021    65.361   24.842  11.142  27.092  8.7380  -2.250238      14.15988 
1 1 1 -26 -14 18 o 10.823  5.2840  -65.2776   45.533   -171.6978  97.488   -35.5850   51.495   13.964  6.9762  12.993  6.1500  0.9701004      9.300014 
1 1 1 -26 -14 19 o 15.525  6.6683  16.297     45.168   31.702     49.878   -53.8996   106.474  17.270  7.1896  17.487  8.4273  -0.2171860     11.07744 
1 1 1 -26 -14 20 f 18.175  6.9355  45.125     42.524   57.693     54.047   24.701     68.899   19.905  7.7594  18.118  7.9989  1.787291       11.14410 
1 1 1 -26 -14 21 o 22.788  7.7875  84.108     51.734   110.369    58.050   -17.2689   114.053  25.565  8.2337  19.044  9.0543  6.520367       12.23823 
1 1 1 -26 -14 22 o 21.684  9.7013  61.637     104.825  -141.1054  243.743  107.644    116.110  21.294  10.694  24.057  10.509  -2.762882      14.99340 
1 1 1 -26 -14 23 o 13.229  6.6558  -208.2331  96.800   28.537     233.949  -257.1410  106.328  23.281  11.487  13.272  6.7116  10.00814       13.30398 
1 1 1 -26 -14 24 o 23.698  7.7107  91.592     50.826   105.203    62.656   65.403     86.915   24.645  8.5631  21.351  9.2107  3.293741       12.57636 
1 1 1 -26 -14 25 o 49.223  5.8696  346.161    68.721   298.573    89.240   415.501    107.721  41.540  9.1050  48.686  9.4596  -7.145592      13.12953 
1 1 1 -26 -14 26 o 31.123  7.3206  152.660    54.357   197.306    68.377   76.001     89.599   34.384  8.2920  21.946  9.4078  12.43846       12.54051 
1 1 1 -26 -14 27 o 17.164  7.1364  32.380     49.055   15.315     63.858   56.948     76.622   17.042  7.6019  20.383  8.7179  -3.341558      11.56679 
1 1 1 -26 -14 28 o 17.264  7.1125  34.617     48.106   42.282     61.629   22.664     76.961   18.686  7.8986  18.310  8.2426  0.3764534      11.41616 
1 1 1 -26 -14 29 o 30.405  7.4848  149.115    54.849   185.027    70.590   94.403     87.130   32.363  8.7706  22.841  9.5051  9.521669       12.93331 
1 1 1 -26 -14 30 o 45.160  6.0332  297.669    64.457   284.762    84.571   315.558    99.564   40.405  8.8696  40.441  10.160  -0.3603745E-01 13.48654 
1 1 1 -26 -14 31 o 47.867  5.7522  330.456    65.471   357.325    86.941   295.258    99.507   46.685  7.9606  38.263  10.431  8.422367       13.12194 
1 1 1 -26 -14 32 o 15.288  6.7305  12.842     48.449   40.553     61.380   -32.9564   78.910   18.255  7.8051  15.691  7.4801  2.563603       10.81072 
1 1 1 -26 -14 33 o 16.827  7.4584  21.844     60.486   22.720     66.047   17.291     150.604  17.248  7.7099  20.349  9.8598  -3.100435      12.51629 
1 1 1 -26 -14 34 o 33.463  9.0967  211.241    75.800   171.004    84.970   368.058    167.746  28.045  9.9539  31.521  13.159  -3.475836      16.49954 
1 1 1 -26 -14 35 o 39.423  6.9889  247.169    64.406   191.321    84.915   322.814    98.827   29.652  9.9778  39.667  10.208  -10.01562      14.27455 
1 1 1 -26 -14 36 o 14.607  6.7254  -3.3459    55.011   -15.9726   83.695   6.2579     72.993   16.278  7.7441  16.510  7.6526  -0.2318439     10.88733 
1 1 1 -26 -14 37 o 19.662  7.9041  66.332     57.712   32.210     86.977   93.172     77.141   18.246  8.4206  21.548  8.9534  -3.302326      12.29105 
1 1 1 -26 -14 38 o 18.744  7.8217  57.072     59.235   16.907     86.474   92.580     81.306   17.424  8.1600  21.215  9.0247  -3.791424      12.16684 
1 1 1 -26 -14 39 o 16.918  8.1169  -4.9486    96.202   182.697    271.763  -31.8311   102.863  21.627  10.915  16.447  8.0102  5.180515       13.53877 
1 1 1 -26 -14 40 o 21.716  10.961  234.777    274.375  234.777    274.375  0.0000     0.0000   21.716  10.961  ?       ?       0.000000       10.96058 
1 1 1 -26 -14 41 o 22.236  9.5547  127.812    92.810   127.812    92.810   0.0000     0.0000   22.236  9.5547  ?       ?       0.000000       9.554730 
1 1 1 -26 -14 42 o 21.382  9.3459  117.003    91.943   117.003    91.943   0.0000     0.0000   21.382  9.3459  ?       ?       0.000000       9.345893 
1 1 1 -26 -14 43 o 16.257  7.4641  25.558     67.119   13.234     86.608   44.090     106.202  16.519  7.8640  18.062  8.6288  -1.543036      11.67467 
1 1 1 -26 -14 44 o 11.497  5.5479  -36.7955   46.508   19.694     77.333   -68.8032   58.211   16.317  7.6656  11.673  5.7542  4.643830       9.584961 
1 1 1 -26 -14 45 o 18.116  7.6159  60.525     56.795   73.537     89.763   51.838     73.343   18.807  8.6338  17.657  7.9886  1.149593       11.76264 
1 1 1 -26 -14 46 o 27.120  8.6688  160.105    64.441   151.293    89.993   169.378    92.317   22.943  9.6129  23.913  9.8526  -0.9707890     13.76522 
1 1 1 -26 -14 47 o 23.627  8.5461  125.349    62.945   60.742     87.678   194.060    90.420   18.203  8.4197  25.916  10.055  -7.713440      13.11440 
1 1 1 -26 -14 48 o 23.346  9.3328  143.219    79.971   135.822    92.034   166.017    161.582  21.925  9.4682  20.699  10.072  1.225615       13.82356 
1 1 1 -26 -14 49 o 28.179  9.7625  201.162    81.408   127.742    95.197   400.959    157.041  21.375  9.4212  28.374  12.310  -6.999207      15.50178 
1 1 1 -26 -14 50 o 24.755  8.8017  140.791    66.464   73.523     92.588   212.309    95.467   18.798  8.6798  26.615  10.330  -7.816986      13.49244 
1 1 1 -26 -14 51 o 16.401  7.3078  37.653     58.833   5.3040     79.641   76.513     87.289   15.690  7.4893  18.797  8.5861  -3.106710      11.39346 
1 1 1 -26 -14 52 o 13.685  6.5262  -13.4624   60.191   30.604     84.218   -59.4767   86.059   16.621  7.8664  13.969  6.9060  2.652390       10.46774 
1 1 1 -26 -14 53 o 16.875  8.2527  29.935     112.467  0.0000     0.0000   29.935     112.467  ?       ?       16.875  8.2527  0.000000       8.252738 
1 1 1 -26 -14 54 o 15.224  7.5595  -23.1176   107.381  0.0000     0.0000   -23.1176   107.381  ?       ?       15.224  7.5595  0.000000       7.559499 
1 1 1 -26 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -13 4  o 17.841  6.5564  47.626     37.259   0.0000     0.0000   47.626     37.259   ?       ?       17.841  6.5564  0.000000       6.556444 
1 1 1 -26 -13 5  o 13.900  5.4339  22.195     26.563   1.0591     55.882   28.365     30.193   15.156  6.9025  15.060  5.8192  0.9611988E-01  9.028158 
1 1 1 -26 -13 6  o 24.217  6.2075  89.480     36.645   -33.2065   76.393   126.149    41.764   15.474  7.3720  28.993  6.1285  -13.51885      9.586671 
1 1 1 -26 -13 7  o 21.405  8.3160  77.168     61.919   298.376    158.004  37.033     67.302   30.483  12.752  18.408  8.0222  12.07572       15.06567 
1 1 1 -26 -13 8  f 20.691  6.7157  66.369     38.564   109.337    153.313  63.467     39.845   23.500  10.959  20.242  6.8348  3.257769       12.91597 
1 1 1 -26 -13 9  o 25.796  6.9553  104.608    44.527   291.907    93.479   49.639     50.642   39.673  9.7745  18.805  7.4557  20.86792       12.29340 
1 1 1 -26 -13 10 o 50.068  5.3664  350.657    64.178   358.121    113.703  347.167    77.747   42.111  11.006  47.893  6.8885  -5.782654      12.98357 
1 1 1 -26 -13 11 o 79.545  4.5310  847.878    87.091   769.993    153.050  885.173    105.909  65.340  9.9693  79.485  5.5257  -14.14488      11.39831 
1 1 1 -26 -13 12 o 75.097  5.2850  779.896    95.687   658.430    247.738  801.193    103.737  38.682  16.057  75.345  5.7170  -36.66246      17.04399 
1 1 1 -26 -13 13 o 16.403  6.8673  25.618     45.875   7.8673     92.035   31.487     52.917   18.727  8.6496  17.471  7.3483  1.256384       11.34957 
1 1 1 -26 -13 14 o 23.704  7.6685  90.766     50.311   69.659     96.874   98.562     58.873   21.956  9.5952  24.201  8.3067  -2.244787      12.69130 
1 1 1 -26 -13 15 o 30.924  9.6140  177.031    79.776   192.201    137.010  169.249    98.126   28.113  11.824  28.598  10.616  -0.4846039     15.89070 
1 1 1 -26 -13 16 o 37.316  9.2503  242.757    83.337   360.497    146.274  186.173    101.403  37.691  13.085  29.762  10.835  7.929234       16.98800 
1 1 1 -26 -13 17 o 15.902  6.6372  22.734     42.665   56.213     64.266   -3.6511    57.052   20.199  8.2594  15.447  7.0115  4.751233       10.83417 
1 1 1 -26 -13 18 o 11.862  5.5558  -25.9687   40.107   -30.0341   47.020   -15.1105   76.844   12.697  5.9689  16.751  7.7942  -4.054050      9.817183 
1 1 1 -26 -13 19 o 15.817  6.6398  21.314     43.067   27.024     55.869   12.951     67.609   17.427  7.4488  17.420  7.7927  0.7249832E-02  10.78008 
1 1 1 -26 -13 20 o 9.6339  4.6928  -52.5685   35.344   -42.4622   43.200   -73.0280   61.467   11.480  5.4895  12.810  6.2283  -1.330508      8.302232 
1 1 1 -26 -13 21 o 22.578  9.8764  76.485     102.856  -45.1312   235.156  105.257    114.378  22.578  11.207  24.188  10.500  -1.610201      15.35738 
1 1 1 -26 -13 22 o 20.124  9.2614  22.861     104.175  55.377     243.271  15.559     115.280  24.139  11.873  20.347  9.4939  3.791843       15.20172 
1 1 1 -26 -13 23 o 38.081  11.711  311.788    118.745  221.986    269.077  333.507    132.328  26.800  13.031  37.743  12.450  -10.94225      18.02191 
1 1 1 -26 -13 24 o 19.250  7.4792  51.890     50.087   61.007     60.719   32.477     88.607   20.449  8.1461  19.753  8.8726  0.6960678      12.04501 
1 1 1 -26 -13 25 o 21.408  7.8633  72.037     53.583   98.881     66.023   20.239     91.712   23.965  8.7397  19.294  8.8084  4.671347       12.40847 
1 1 1 -26 -13 26 o 10.511  5.1873  -83.7076   47.792   -94.0121   56.785   -58.6817   88.495   11.468  5.6588  15.999  7.7036  -4.530923      9.558663 
1 1 1 -26 -13 27 o 85.434  4.7812  986.638    98.716   915.714    135.412  1067.08    144.215  77.260  7.3103  83.749  7.1659  -6.489609      10.23670 
1 1 1 -26 -13 28 o 88.430  4.7340  1056.55    101.209  996.890    140.404  1121.08    146.024  80.602  7.2569  85.948  7.0646  -5.345535      10.12770 
1 1 1 -26 -13 29 o 38.251  7.1532  226.102    63.951   210.042    84.246   247.939    98.238   33.215  9.7889  34.803  10.644  -1.587444      14.46071 
1 1 1 -26 -13 30 o 12.898  6.0608  -27.3501   48.399   -39.3207   60.508   -6.0877    80.642   13.837  6.5834  17.140  7.9783  -3.302904      10.34386 
1 1 1 -26 -13 31 o 20.870  7.8103  70.255     53.323   66.047     68.873   76.550     84.249   20.620  8.5046  21.582  9.1839  -0.9622211     12.51687 
1 1 1 -26 -13 32 o 20.067  8.2480  61.487     64.501   95.486     70.962   -100.1329  154.717  22.888  8.8997  18.445  9.1443  4.442707       12.76017 
1 1 1 -26 -13 33 o 26.613  9.6513  145.365    80.352   116.064    91.739   241.911    166.525  23.755  9.8083  27.134  12.177  -3.378351      15.63617 
1 1 1 -26 -13 34 o 15.946  7.5300  -18.7018   76.371   -41.1622   87.255   54.855     157.905  15.947  7.6715  21.334  10.277  -5.387208      12.82439 
1 1 1 -26 -13 35 o 39.749  7.7455  262.923    72.017   257.360    100.048  268.906    103.749  33.576  10.809  33.947  11.015  -0.3711777     15.43253 
1 1 1 -26 -13 36 o 13.944  6.6245  -29.5809   60.834   25.525     83.717   -91.2356   88.552   18.067  8.3101  14.426  7.1084  3.640218       10.93563 
1 1 1 -26 -13 37 o 20.709  8.1643  77.249     60.406   102.172    83.159   49.409     87.892   22.163  9.2597  19.168  8.7013  2.995008       12.70650 
1 1 1 -26 -13 38 o 27.579  8.8375  152.011    66.941   138.719    93.666   165.888    95.706   23.912  9.8949  25.616  10.220  -1.703915      14.22524 
1 1 1 -26 -13 39 o 21.775  11.009  182.933    284.847  182.933    284.847  0.0000     0.0000   21.775  11.009  ?       ?       0.000000       11.00875 
1 1 1 -26 -13 40 o ?       ?       27.402     278.631  27.402     278.631  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -13 41 o 15.576  7.4447  -12.2268   79.257   -12.2268   79.257   0.0000     0.0000   15.576  7.4447  ?       ?       0.000000       7.444670 
1 1 1 -26 -13 42 o 18.190  7.8159  56.536     62.102   26.115     84.478   92.307     91.604   17.141  8.0396  20.209  9.0532  -3.067364      12.10766 
1 1 1 -26 -13 43 o 30.656  8.5817  190.327    66.360   188.411    98.083   191.945    90.117   25.172  10.238  26.410  10.092  -1.237959      14.37582 
1 1 1 -26 -13 44 o 25.521  8.2298  133.659    57.982   203.370    90.441   85.013     75.551   27.035  10.161  19.742  8.5520  7.292364       13.28094 
1 1 1 -26 -13 45 o 16.194  7.2226  32.730     57.620   14.775     82.472   49.851     80.536   16.328  7.7443  17.747  8.1586  -1.419062      11.24888 
1 1 1 -26 -13 46 o 30.275  8.5246  187.999    65.281   135.125    93.620   238.036    91.074   21.862  9.4949  29.611  10.322  -7.749336      14.02489 
1 1 1 -26 -13 47 o 15.413  7.0217  20.018     57.896   -32.6435   80.866   75.398     82.926   14.624  7.1180  18.983  8.5499  -4.359126      11.12509 
1 1 1 -26 -13 48 o 27.304  9.5158  183.187    77.401   128.495    95.317   289.076    132.628  21.482  9.4492  26.518  11.409  -5.036457      14.81399 
1 1 1 -26 -13 49 o 26.817  9.9906  195.014    87.056   232.966    104.792  110.485    156.394  27.007  10.719  19.808  9.6964  7.198421       14.45435 
1 1 1 -26 -13 50 o 19.593  7.9692  78.244     59.430   33.897     83.915   122.870    84.179   17.114  8.0224  21.694  9.2039  -4.579845      12.20945 
1 1 1 -26 -13 51 o 16.632  7.3487  40.725     58.263   -19.7927   81.221   104.879    83.624   14.962  7.2474  20.430  8.9220  -5.468562      11.49462 
1 1 1 -26 -13 52 o 17.397  8.4397  36.757     111.215  0.0000     0.0000   36.757     111.215  ?       ?       17.397  8.4397  0.000000       8.439705 
1 1 1 -26 -13 53 f 15.419  7.5720  -15.6576   97.739   0.0000     0.0000   -15.6576   97.739   ?       ?       15.419  7.5720  0.000000       7.572041 
1 1 1 -26 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -12 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -12 4  o 23.340  7.8124  93.692     52.055   0.0000     0.0000   93.692     52.055   ?       ?       23.340  7.8124  0.000000       7.812406 
1 1 1 -26 -12 5  o 29.135  5.3377  121.227    36.344   67.337     69.725   141.331    42.586   20.599  8.5316  31.038  5.8698  -10.43933      10.35579 
1 1 1 -26 -12 6  o 27.030  7.6546  121.115    52.480   3.0878     84.598   194.949    66.911   17.720  8.2224  33.986  8.2068  -16.26606      11.61715 
1 1 1 -26 -12 7  o 26.261  8.2613  119.219    58.711   65.327     163.218  127.228    62.923   22.544  10.750  26.803  8.5660  -4.259354      13.74533 
1 1 1 -26 -12 8  o 14.024  5.8272  16.095     32.678   49.359     76.083   8.5709     36.186   19.887  8.5984  13.724  5.9319  6.162732       10.44603 
1 1 1 -26 -12 9  o 16.366  6.8779  25.257     46.295   -34.9575   78.956   56.802     57.149   15.965  7.5735  19.838  7.9029  -3.873666      10.94592 
1 1 1 -26 -12 10 o 45.177  5.9071  291.634    63.201   322.123    111.621  277.247    76.677   39.842  11.122  41.773  7.8532  -1.930344      13.61494 
1 1 1 -26 -12 11 o 48.061  5.9051  328.975    67.413   225.048    204.984  341.578    71.384   27.485  12.769  48.640  6.1886  -21.15479      14.18971 
1 1 1 -26 -12 12 o 87.381  4.5017  1016.15    95.122   1054.01    165.437  997.451    116.262  80.220  8.6354  84.340  5.7149  -4.120567      10.35525 
1 1 1 -26 -12 13 o 79.937  5.2206  875.260    100.703  864.659    259.773  877.135    109.245  47.571  17.338  79.113  5.7299  -31.54219      18.25999 
1 1 1 -26 -12 14 o 17.967  7.7182  29.204     60.529   -18.9819   94.409   62.835     78.873   17.979  8.4538  21.239  8.9543  -3.260036      12.31447 
1 1 1 -26 -12 15 o 30.394  8.0206  149.833    60.012   163.824    77.160   128.412    95.474   30.074  9.4724  25.898  10.247  4.176441       13.95430 
1 1 1 -26 -12 16 o 15.726  6.9442  8.1399     51.952   6.9506     67.117   9.9176     82.055   17.097  7.6969  18.402  8.3743  -1.305304      11.37418 
1 1 1 -26 -12 17 o 61.108  4.3032  492.544    63.398   528.155    90.519   458.258    88.821   60.732  6.2310  55.944  6.6751  4.787884       9.131385 
1 1 1 -26 -12 18 o 50.902  5.4318  358.276    66.052   404.629    81.991   272.575    111.486  52.724  6.5502  36.281  11.379  16.44322       13.12992 
1 1 1 -26 -12 19 o 44.132  5.9158  275.765    61.754   129.823    79.687   495.182    97.709   26.646  9.6192  57.473  7.1620  -30.82639      11.99266 
1 1 1 -26 -12 20 o 35.006  6.7468  181.951    55.229   169.737    69.524   202.841    90.924   31.638  8.7583  32.556  10.286  -0.9185905     13.50937 
1 1 1 -26 -12 21 o 56.764  9.4527  547.796    125.617  961.011    238.351  388.885    147.811  58.918  16.179  40.095  13.154  18.82270       20.85154 
1 1 1 -26 -12 22 o 22.566  9.8060  74.708     99.956   185.556    215.892  44.463     112.771  26.878  12.682  21.512  9.8003  5.365896       16.02778 
1 1 1 -26 -12 23 o 26.078  10.841  137.011    113.180  126.827    246.189  139.740    127.447  25.565  12.438  26.013  11.188  -0.4481525     16.72905 
1 1 1 -26 -12 24 o 30.238  7.9967  148.416    59.570   89.462     75.345   246.714    97.291   23.157  9.1216  35.738  10.516  -12.58134      13.92069 
1 1 1 -26 -12 25 o 92.075  4.6593  1133.94    103.756  1078.16    143.829  1194.47    149.820  84.908  7.0448  89.616  6.9442  -4.707886      9.892009 
1 1 1 -26 -12 26 o 90.647  4.7420  1104.02    103.936  1030.01    143.627  1185.38    150.597  82.425  7.2554  88.963  7.0340  -6.537308      10.10532 
1 1 1 -26 -12 27 o 51.551  6.1795  383.335    75.756   318.586    104.865  454.010    109.559  40.906  10.509  51.899  9.0280  -10.99210      13.85448 
1 1 1 -26 -12 28 o 42.234  7.4019  276.092    73.089   215.140    101.633  341.379    105.184  31.858  10.915  42.778  10.265  -10.91920      14.98336 
1 1 1 -26 -12 29 o 23.150  8.7474  92.224     67.227   145.981    90.063   24.587     101.023  26.914  10.135  19.804  9.1165  7.109594       13.63193 
1 1 1 -26 -12 30 o 25.449  8.8876  116.929    67.536   181.765    87.279   20.183     106.616  30.096  10.116  19.776  9.1947  10.32023       13.67009 
1 1 1 -26 -12 31 o 44.321  7.4932  309.499    77.710   251.788    102.248  388.421    119.570  34.334  10.914  43.268  11.275  -8.934063      15.69199 
1 1 1 -26 -12 32 o 20.822  8.9300  65.707     80.789   87.370     92.750   -2.4116    164.473  22.294  9.5648  20.779  10.122  1.514608       13.92623 
1 1 1 -26 -12 33 o 28.198  9.9814  166.106    85.384   87.789     100.548  368.615    161.683  22.167  9.7291  33.606  13.323  -11.43891      16.49689 
1 1 1 -26 -12 34 o 26.939  9.9321  154.872    85.602   148.944    100.280  170.792    164.339  25.542  10.366  24.682  11.455  0.8601971      15.44901 
1 1 1 -26 -12 35 o 43.238  7.1220  296.262    72.118   340.098    103.360  254.675    100.673  40.806  10.407  33.459  10.850  7.346615       15.03393 
1 1 1 -26 -12 36 o 14.216  6.7064  -23.1966   60.303   77.765     84.935   -125.8258  85.633   20.927  9.0664  13.416  6.6763  7.510991       11.25934 
1 1 1 -26 -12 37 o 13.329  6.3433  -31.7303   56.259   -9.6676    76.395   -57.8724   83.159   16.056  7.5664  14.869  7.2328  1.187211       10.46730 
1 1 1 -26 -12 38 o 22.605  9.6193  115.074    92.428   115.074    92.428   0.0000     0.0000   22.605  9.6193  ?       ?       0.000000       9.619263 
1 1 1 -26 -12 39 o ?       ?       -419.5102  245.062  -419.5102  245.062  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -12 40 o 19.993  10.150  4.5650     260.299  4.5650     260.299  0.0000     0.0000   19.993  10.150  ?       ?       0.000000       10.15045 
1 1 1 -26 -12 41 o 25.505  8.8001  138.098    66.116   -38.7198   92.784   320.500    94.238   15.572  7.5891  38.286  10.026  -22.71457      12.57415 
1 1 1 -26 -12 42 o 14.292  6.5794  2.7384     52.620   71.861     80.716   -48.3505   69.392   19.299  8.5820  13.553  6.5960  5.746028       10.82390 
1 1 1 -26 -12 43 o 15.443  6.9260  21.561     53.774   117.140    91.980   -28.0694   66.281   21.384  9.3472  13.927  6.6965  7.456701       11.49839 
1 1 1 -26 -12 44 f 23.259  8.2590  113.596    58.503   123.467    94.105   107.378    74.691   21.473  9.4185  21.377  8.8401  0.9600830E-01  12.91730 
1 1 1 -26 -12 45 o 17.492  7.6576  49.778     61.939   96.779     92.584   11.699     83.334   20.054  9.0328  16.307  7.7491  3.746105       11.90129 
1 1 1 -26 -12 46 o 12.775  6.1421  -31.0380   55.740   -37.6462   80.065   -24.8227   77.649   14.469  7.0513  14.720  7.1191  -0.2506571     10.02008 
1 1 1 -26 -12 47 o 17.022  7.4832  43.724     59.704   125.329    85.367   -34.4124   83.533   21.877  9.2744  14.783  7.2039  7.094140       11.74351 
1 1 1 -26 -12 48 o 20.778  8.8646  102.426    78.862   -32.1300   96.277   376.784    137.477  15.546  7.6094  30.773  12.258  -15.22756      14.42771 
1 1 1 -26 -12 49 o 12.259  6.0876  -89.7953   69.698   -25.4533   88.221   -196.6482  113.689  15.347  7.4619  13.470  6.8251  1.876893       10.11248 
1 1 1 -26 -12 50 o 11.598  5.6990  -62.9471   55.636   -88.1445   75.981   -33.8197   81.692   12.810  6.3604  14.686  7.1495  -1.875971      9.569242 
1 1 1 -26 -12 51 o 14.412  7.0437  -39.6302   81.542   0.0000     0.0000   -39.6302   81.542   ?       ?       14.412  7.0437  0.000000       7.043749 
1 1 1 -26 -12 52 f 15.234  7.6025  -66.7072   114.350  0.0000     0.0000   -66.7072   114.350  ?       ?       15.234  7.6025  0.000000       7.602479 
1 1 1 -26 -12 53 o 17.610  8.5390  56.216     113.482  -206.9894  310.550  96.780     121.913  ?       ?       18.685  9.0079  0.000000       9.007898 
1 1 1 -26 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -11 3  o 18.813  6.9273  53.524     41.623   0.0000     0.0000   53.524     41.623   ?       ?       18.813  6.9273  0.000000       6.927315 
1 1 1 -26 -11 4  o 16.803  5.7689  40.039     28.396   13.086     56.912   48.973     32.766   16.173  7.1984  18.228  6.1976  -2.054338      9.498806 
1 1 1 -26 -11 5  f 22.848  6.1943  78.721     35.203   18.643     70.877   98.394     40.559   17.659  7.9334  25.323  6.5513  -7.664433      10.28870 
1 1 1 -26 -11 6  o 26.889  8.1602  122.980    57.899   166.802    153.915  115.757    62.489   25.892  11.656  25.654  8.5596  0.2371273      14.46134 
1 1 1 -26 -11 7  o 28.091  6.4152  118.158    42.767   24.803     164.611  124.915    44.287   21.909  10.539  28.848  6.4847  -6.939316      12.37411 
1 1 1 -26 -11 8  o 49.917  4.6629  335.848    55.823   492.469    109.475  280.815    64.893   54.846  8.5015  43.946  6.2629  10.89911       10.55935 
1 1 1 -26 -11 9  o 26.017  7.5545  108.465    50.509   9.6606     93.654   148.991    59.979   18.979  8.7516  30.139  8.0496  -11.16043      11.89061 
1 1 1 -26 -11 10 o 20.951  7.5608  67.165     49.225   107.011    95.395   52.705     57.467   24.316  10.017  19.661  7.8931  4.654512       12.75281 
1 1 1 -26 -11 11 o 17.542  7.3179  31.824     51.824   -33.4571   175.191  38.084     54.252   21.399  10.429  18.247  7.5391  3.152163       12.86874 
1 1 1 -26 -11 12 o 17.761  7.2839  35.346     50.165   -151.3371  176.031  51.847     52.335   19.392  9.6376  19.448  7.6204  -0.5546570E-01 12.28635 
1 1 1 -26 -11 13 o 27.080  8.2321  121.090    58.887   546.347    188.998  75.368     61.972   44.050  14.885  21.984  8.3765  22.06608       17.08040 
1 1 1 -26 -11 14 o 51.830  5.9511  379.416    73.484   318.944    95.106   468.996    115.754  43.322  9.3238  52.679  9.4007  -9.357410      13.24040 
1 1 1 -26 -11 15 o 31.281  8.2756  159.772    63.784   130.764    79.635   211.689    106.536  26.845  9.6248  31.919  11.162  -5.073559      14.73845 
1 1 1 -26 -11 16 o 47.030  5.0079  299.908    56.268   293.605    76.497   307.338    83.058   43.953  7.4382  44.272  8.0276  -0.3182907     10.94387 
1 1 1 -26 -11 17 o 26.306  7.4875  108.497    50.083   62.794     60.793   205.029    88.353   20.864  8.2015  33.277  10.076  -12.41269      12.99215 
1 1 1 -26 -11 18 o 27.776  7.4380  120.254    51.131   131.583    63.814   99.938     85.456   28.005  8.5808  24.195  9.6559  3.810030       12.91771 
1 1 1 -26 -11 19 o 45.587  5.8370  291.940    63.082   160.345    82.609   476.018    97.703   29.493  9.8417  56.254  7.3323  -26.76098      12.27281 
1 1 1 -26 -11 20 o 22.458  8.0174  79.187     55.201   87.779     63.601   52.952     111.135  23.269  8.5638  21.998  9.9039  1.270418       13.09297 
1 1 1 -26 -11 21 o 30.949  11.188  200.475    107.864  149.551    213.163  218.003    125.056  26.359  12.487  30.975  11.876  -4.615952      17.23244 
1 1 1 -26 -11 22 o 35.633  11.402  262.609    111.455  490.123    210.697  174.209    131.335  38.138  15.180  28.000  11.662  10.13775       19.14284 
1 1 1 -26 -11 23 o 41.605  7.2667  261.740    70.689   209.410    96.514   322.297    103.823  32.653  10.625  42.128  10.254  -9.475128      14.76610 
1 1 1 -26 -11 24 o 40.328  7.4914  249.558    70.606   268.326    96.763   228.186    103.257  38.109  10.244  33.507  10.995  4.602238       15.02724 
1 1 1 -26 -11 25 o 15.741  7.1134  -1.3869    57.959   88.338     74.596   -138.0592  92.067   23.132  9.0876  14.311  7.0873  8.821058       11.52447 
1 1 1 -26 -11 26 o 16.919  7.5411  10.880     62.699   -37.9502   84.928   69.376     92.955   16.551  7.8526  22.049  9.5185  -5.497530      12.33958 
1 1 1 -26 -11 27 o 25.421  8.6971  111.314    64.526   133.873    86.939   83.646     96.282   26.472  9.9599  22.867  9.7762  3.605618       13.95611 
1 1 1 -26 -11 28 o 19.807  8.1488  52.493     63.033   132.313    83.853   -51.2062   95.577   26.376  9.8093  16.857  8.0886  9.518759       12.71408 
1 1 1 -26 -11 29 o 55.980  6.2686  454.598    83.685   547.856    115.255  350.608    121.706  57.932  8.4478  40.531  11.715  17.40150       14.44303 
1 1 1 -26 -11 30 o 31.927  8.9763  180.394    72.440   232.302    99.818   122.638    105.291  33.399  10.801  24.790  10.393  8.609444       14.98913 
1 1 1 -26 -11 31 o 23.643  8.8771  99.293     68.995   68.270     91.615   139.941    104.868  21.452  9.3541  25.672  10.530  -4.220325      14.08487 
1 1 1 -26 -11 32 o 30.008  10.276  186.983    90.084   172.489    103.889  230.906    180.855  27.664  10.765  27.141  12.382  0.5237160      16.40771 
1 1 1 -26 -11 33 o 27.573  10.061  159.460    87.504   165.246    102.697  144.129    167.171  26.950  10.639  24.356  11.387  2.594362       15.58358 
1 1 1 -26 -11 34 o 19.975  9.2386  39.170     105.538  0.0000     0.0000   39.170     105.538  ?       ?       19.975  9.2386  0.000000       9.238646 
1 1 1 -26 -11 35 o 16.764  7.5814  14.503     65.978   5.0989     83.297   30.338     108.086  17.423  8.1096  19.536  9.1409  -2.113150      12.21968 
1 1 1 -26 -11 36 o 17.371  7.8142  23.921     69.019   -21.3583   90.221   87.808     107.169  16.701  7.9717  21.635  9.7344  -4.933958      12.58200 
1 1 1 -26 -11 37 f 22.753  9.7300  112.623    95.414   112.623    95.414   0.0000     0.0000   22.753  9.7300  ?       ?       0.000000       9.729975 
1 1 1 -26 -11 38 o 23.154  11.699  276.582    317.465  276.582    317.465  0.0000     0.0000   23.154  11.699  ?       ?       0.000000       11.69877 
1 1 1 -26 -11 39 o 23.983  12.100  450.485    332.396  450.485    332.396  0.0000     0.0000   23.983  12.100  ?       ?       0.000000       12.09985 
1 1 1 -26 -11 40 o 53.247  12.841  749.550    163.976  733.324    337.762  754.554    187.562  25.931  12.960  45.534  14.812  -19.60295      19.68142 
1 1 1 -26 -11 41 o 9.9924  4.9492  -75.4215   44.938   -62.1814   77.945   -82.0134   54.998   13.951  6.8326  11.111  5.4982  2.839634       8.770090 
1 1 1 -26 -11 42 o 13.928  6.3518  3.7785     47.531   -76.9474   81.828   44.886     58.392   13.751  6.7863  17.387  7.5250  -3.636333      10.13313 
1 1 1 -26 -11 43 o 9.5879  4.8010  -98.4140   47.381   64.733     81.321   -182.2619  58.299   18.811  8.4702  ?       ?       0.000000       8.470197 
1 1 1 -26 -11 44 f 17.065  7.1758  45.762     50.439   -9.1439    84.583   76.063     62.834   15.732  7.5645  19.523  8.0937  -3.791113      11.07834 
1 1 1 -26 -11 45 o 10.512  5.2702  -112.2152  57.922   -66.8560   84.692   -152.0763  79.393   14.026  6.9190  11.793  5.9454  2.232997       9.122552 
1 1 1 -26 -11 46 o 9.9165  4.9980  -127.9498  55.909   -125.1847  77.763   -130.9084  80.440   12.162  6.0984  12.269  6.1592  -0.1075964     8.667600 
1 1 1 -26 -11 47 o 16.817  7.7282  32.470     72.171   -45.5752   88.903   183.312    123.595  14.833  7.2716  22.826  10.345  -7.992113      12.64461 
1 1 1 -26 -11 48 o 24.114  9.3452  145.331    78.044   96.865     95.091   245.346    136.600  20.148  9.1076  24.616  11.039  -4.467524      14.31151 
1 1 1 -26 -11 49 o 29.398  8.9538  185.818    69.617   271.373    96.971   94.822     100.007  31.802  10.663  19.987  9.1524  11.81556       14.05207 
1 1 1 -26 -11 50 o 14.680  7.1664  -39.2853   83.728   0.0000     0.0000   -39.2853   83.728   ?       ?       14.680  7.1664  0.000000       7.166399 
1 1 1 -26 -11 51 f 21.202  9.4170  126.825    96.910   0.0000     0.0000   126.825    96.910   ?       ?       21.202  9.4170  0.000000       9.416970 
1 1 1 -26 -11 52 o 21.184  9.9234  167.269    128.038  -113.3580  316.206  222.305    140.031  ?       ?       22.431  10.465  0.000000       10.46520 
1 1 1 -26 -11 53 o 24.518  11.004  292.832    135.984  -94.0716   335.415  368.935    148.758  ?       ?       26.106  11.627  0.000000       11.62719 
1 1 1 -26 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -10 3  o 42.350  4.5355  243.081    45.881   168.216    101.741  262.192    51.404   27.390  10.655  43.574  4.9498  -16.18398      11.74822 
1 1 1 -26 -10 4  o 65.758  4.0193  569.558    63.823   606.211    111.036  551.472    77.996   62.193  7.5099  63.167  5.1332  -0.9734192     9.096642 
1 1 1 -26 -10 5  o 38.093  6.3034  213.087    56.224   237.623    86.145   194.878    74.210   35.909  9.6709  33.245  8.9855  2.664017       13.20102 
1 1 1 -26 -10 6  o 21.156  7.8110  70.049     52.979   96.772     154.061  66.465     56.420   23.848  11.076  20.806  7.9769  3.042316       13.64981 
1 1 1 -26 -10 7  o 13.961  5.9096  12.411     34.578   98.544     88.967   -2.9150    37.528   23.680  9.7044  13.015  5.8152  10.66450       11.31334 
1 1 1 -26 -10 8  f 28.142  6.7877  119.929    45.812   120.251    97.150   119.837    51.952   25.198  10.211  27.444  7.5603  -2.246361      12.70507 
1 1 1 -26 -10 9  o 47.497  5.2472  310.091    59.463   293.141    111.269  316.866    70.352   38.005  11.263  46.799  6.3602  -8.794537      12.93473 
1 1 1 -26 -10 10 o 9.6642  4.8005  -90.1655   43.460   -40.3627   155.563  -94.3817   45.262   20.674  10.018  9.8240  4.8831  10.85040       11.14509 
1 1 1 -26 -10 11 o 56.584  4.6077  426.733    62.713   541.550    91.327   324.280    86.269   61.655  6.1882  45.309  8.1466  16.34615       10.23044 
1 1 1 -26 -10 12 o 68.785  5.3177  647.075    88.062   791.565    230.606  622.407    95.283   51.466  16.393  66.503  5.9684  -15.03751      17.44613 
1 1 1 -26 -10 13 o 59.420  5.6484  489.821    80.457   387.875    97.669   705.067    141.919  49.278  8.4739  65.191  9.2299  -15.91225      12.52990 
1 1 1 -26 -10 14 o 21.128  8.3177  64.595     62.615   76.072     74.709   37.501     114.786  22.360  8.9915  21.557  9.8465  0.8027229      13.33420 
1 1 1 -26 -10 15 o 29.551  8.0071  139.831    58.841   199.761    66.519   -75.7580   126.164  35.718  7.8860  18.562  9.0013  17.15675       11.96714 
1 1 1 -26 -10 16 o 14.887  6.4093  10.902     41.914   -28.9375   55.064   65.787     64.631   13.966  6.5312  21.317  8.4320  -7.351878      10.66556 
1 1 1 -26 -10 17 o 8.6958  4.3428  -89.7303   37.619   -110.5510  47.905   -56.2355   60.761   9.7967  4.8938  13.467  6.4585  -3.670262      8.103184 
1 1 1 -26 -10 18 o 20.544  7.5964  61.444     50.145   84.044     65.306   28.978     78.275   23.000  8.6364  19.367  8.5393  3.633320       12.14525 
1 1 1 -26 -10 19 o 8.4614  4.2967  -160.7788  46.841   -97.3513   60.138   -258.6124  74.688   11.941  5.8790  ?       ?       0.000000       5.879000 
1 1 1 -26 -10 20 o 18.768  8.7082  -5.8352    94.878   -7.4605    202.460  -5.3778    107.401  23.118  11.255  19.572  9.1426  3.546629       14.50017 
1 1 1 -26 -10 21 o 25.368  10.249  115.945    97.567   216.904    196.219  82.785     112.454  28.605  12.991  23.549  10.313  5.056620       16.58723 
1 1 1 -26 -10 22 o 23.138  10.004  79.139     102.975  26.284     197.333  98.918     120.714  23.608  11.401  24.424  10.691  -0.8162518     15.62940 
1 1 1 -26 -10 23 o 58.939  5.5383  479.742    78.274   491.521    107.452  466.426    114.253  56.016  8.1441  52.956  9.2271  3.060337       12.30719 
1 1 1 -26 -10 24 o 66.466  5.3020  604.026    84.795   610.965    116.699  596.265    123.421  62.974  7.8045  60.929  8.5864  2.044586       11.60330 
1 1 1 -26 -10 25 o 62.550  5.5023  540.485    82.659   409.628    111.363  701.026    123.349  48.594  9.7834  67.669  7.6467  -19.07485      12.41716 
1 1 1 -26 -10 26 o 12.114  5.9554  -93.5656   60.986   -88.7495   80.610   -100.0117  93.260   14.504  7.0699  15.377  7.5190  -0.8732586     10.32078 
1 1 1 -26 -10 27 o 51.839  6.2373  386.108    76.881   376.144    105.505  397.388    112.261  46.476  9.6706  47.082  10.127  -0.6062660     14.00301 
1 1 1 -26 -10 28 o 37.319  8.1311  224.422    71.546   127.088    97.315   338.926    105.550  25.646  10.280  42.930  10.271  -17.28390      14.53148 
1 1 1 -26 -10 29 o 18.889  8.0839  38.434     65.952   45.961     86.106   27.749     102.584  20.346  8.9644  20.195  9.2557  0.1516151      12.88525 
1 1 1 -26 -10 30 o 17.168  7.6585  14.357     64.812   62.350     85.950   -48.9021   98.678   21.183  9.1488  17.083  8.2028  4.099710       12.28767 
1 1 1 -26 -10 31 o 36.772  8.7761  231.916    77.215   170.760    107.677  296.655    110.786  27.716  10.909  37.386  11.275  -9.670391      15.68824 
1 1 1 -26 -10 32 o 81.999  6.9335  1019.49    136.657  1010.90    165.818  1037.68    241.277  76.468  9.1166  58.139  16.395  18.32953       18.75914 
1 1 1 -26 -10 33 f 43.700  15.392  653.141    202.801  0.0000     0.0000   653.141    202.801  ?       ?       43.700  15.392  0.000000       15.39212 
1 1 1 -26 -10 34 o 29.545  10.854  202.088    102.105  419.372    292.303  171.891    108.969  27.393  13.377  26.851  10.837  0.5422745      17.21579 
1 1 1 -26 -10 35 o 18.461  8.0254  40.562     67.008   117.661    87.265   -70.2125   104.600  23.900  9.6801  16.348  7.9871  7.552406       12.54981 
1 1 1 -26 -10 36 o 26.107  10.175  155.611    92.929   155.611    92.929   0.0000     0.0000   26.107  10.175  ?       ?       0.000000       10.17525 
1 1 1 -26 -10 37 o 27.821  10.673  192.573    101.038  192.573    101.038  0.0000     0.0000   27.821  10.673  ?       ?       0.000000       10.67279 
1 1 1 -26 -10 38 o ?       ?       -117.3872  290.877  -117.3872  290.877  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 -10 39 o 25.058  11.081  199.134    132.746  334.055    294.537  164.743    148.705  23.579  11.830  23.199  10.810  0.3802280      16.02555 
1 1 1 -26 -10 40 o 35.874  7.5999  221.435    64.096   244.443    98.624   204.611    84.336   30.975  10.744  29.863  9.9430  1.112518       14.63926 
1 1 1 -26 -10 41 o 17.446  7.3656  45.263     53.491   199.602    88.784   -42.6830   67.020   28.278  10.160  13.678  6.6150  14.60005       12.12384 
1 1 1 -26 -10 42 o 14.163  6.5943  -4.4636    55.149   124.065    85.902   -94.5782   71.929   22.447  9.3976  12.498  6.2026  9.949048       11.26000 
1 1 1 -26 -10 43 o 14.107  6.4207  6.3108     48.267   -38.5618   88.915   25.058     57.472   15.184  7.4065  15.939  7.1534  -0.7549334     10.29696 
1 1 1 -26 -10 44 f 15.319  6.8110  22.498     50.815   -17.2104   85.512   44.175     63.181   15.554  7.5098  17.296  7.6465  -1.741072      10.71755 
1 1 1 -26 -10 45 o 10.524  5.2653  -105.2660  56.435   -131.1410  82.520   -82.5308   77.352   12.467  6.2556  13.126  6.5000  -0.6597528     9.021205 
1 1 1 -26 -10 46 o 16.329  7.3358  31.009     60.597   -18.6928   84.314   84.110     87.150   15.390  7.4371  19.632  8.8100  -4.241443      11.52941 
1 1 1 -26 -10 47 o 22.021  9.0810  118.386    78.510   152.410    95.208   46.092     138.783  23.147  9.8025  18.636  9.1251  4.510708       13.39242 
1 1 1 -26 -10 48 o 22.846  9.2182  128.766    78.814   104.045    95.256   182.420    140.334  20.590  9.2273  22.298  10.427  -1.708113      13.92393 
1 1 1 -26 -10 49 o 21.265  9.3815  117.550    94.612   0.0000     0.0000   117.550    94.612   ?       ?       21.265  9.3815  0.000000       9.381539 
1 1 1 -26 -10 50 o 25.007  10.185  186.458    97.225   0.0000     0.0000   186.458    97.225   ?       ?       25.007  10.185  0.000000       10.18462 
1 1 1 -26 -10 51 f 21.551  9.5029  133.212    96.957   275.915    310.692  117.815    102.054  ?       ?       20.618  9.3658  0.000000       9.365814 
1 1 1 -26 -10 52 o 19.141  9.1542  96.364     120.186  748.282    344.446  5.9896     128.247  ?       ?       17.029  8.4213  0.000000       8.421277 
1 1 1 -26 -10 53 o 18.562  8.9176  92.556     116.958  238.426    324.168  70.726     125.404  ?       ?       17.971  8.7726  0.000000       8.772556 
1 1 1 -26 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -26 -9  2  o 35.770  7.7664  207.511    65.474   0.0000     0.0000   207.511    65.474   ?       ?       35.770  7.7664  0.000000       7.766437 
1 1 1 -26 -9  3  o 32.713  4.9190  147.623    37.835   192.366    70.123   129.248    44.938   33.484  8.5891  29.295  6.4925  4.189201       10.76691 
1 1 1 -26 -9  4  f 22.986  6.2425  79.037     35.716   90.186     67.904   74.773     41.994   22.996  8.7667  21.935  6.9965  1.061001       11.21638 
1 1 1 -26 -9  5  o 11.070  5.2662  -35.4177   38.688   10.470     100.287  -43.4407   41.934   19.352  8.9701  11.207  5.3721  8.145738       10.45575 
1 1 1 -26 -9  6  f 21.636  6.6736  70.742     38.525   150.711    91.592   53.553     42.464   27.634  10.257  19.256  7.0111  8.378452       12.42420 
1 1 1 -26 -9  7  o 13.773  5.8819  9.7761     34.786   -1.6162    78.083   12.597     38.855   17.540  8.0521  14.574  6.2201  2.965437       10.17479 
1 1 1 -26 -9  8  o 19.808  6.9216  57.405     40.964   -22.4690   92.783   76.744     45.655   17.820  8.3796  22.295  7.3106  -4.474388      11.12036 
1 1 1 -26 -9  9  o 26.870  6.3932  106.367    41.077   96.880     63.999   113.014    53.567   24.163  8.6321  26.585  7.7973  -2.421524      11.63230 
1 1 1 -26 -9  10 o 70.386  5.5042  682.156    93.255   615.831    234.185  694.656    101.663  41.585  16.168  70.220  6.0251  -28.63523      17.25423 
1 1 1 -26 -9  11 o 21.243  7.5588  67.843     49.028   39.341     67.003   100.689    71.930   19.310  8.2030  24.467  9.0880  -5.156532      12.24254 
1 1 1 -26 -9  12 o 18.166  7.1187  41.201     45.674   136.027    64.561   -53.8088   64.624   28.574  8.6047  14.041  6.7142  14.53296       10.91432 
1 1 1 -26 -9  13 o 20.387  8.2328  55.218     62.921   38.183     74.667   96.948     116.864  19.739  8.5261  24.417  10.607  -4.678139      13.60854 
1 1 1 -26 -9  14 o 25.651  8.3452  107.278    59.535   95.903     67.112   149.291    128.980  24.186  8.8128  27.139  11.447  -2.952942      14.44621 
1 1 1 -26 -9  15 o 15.469  6.6199  14.090     44.225   -42.8199   60.331   80.189     65.020   14.005  6.6371  22.702  8.5968  -8.696733      10.86072 
1 1 1 -26 -9  16 o 34.148  7.0882  174.307    56.808   152.241    81.242   195.419    79.465   29.092  9.7597  33.677  9.3781  -4.584743      13.53516 
1 1 1 -26 -9  17 f 60.853  4.8980  496.001    71.708   530.135    101.759  462.332    101.066  59.926  7.1389  55.071  7.7800  4.854095       10.55894 
1 1 1 -26 -9  18 o 66.566  5.2984  602.393    84.869   570.153    128.334  627.453    113.143  58.796  9.3054  64.952  7.3059  -6.156490      11.83072 
1 1 1 -26 -9  19 o 38.838  7.2192  225.581    65.527   222.236    93.853   228.762    91.529   34.650  10.361  35.573  10.121  -0.9228783     14.48422 
1 1 1 -26 -9  20 o 23.497  10.020  83.535     100.671  -100.6708  211.777  137.312    114.426  21.920  10.837  26.695  10.981  -4.775513      15.42732 
1 1 1 -26 -9  21 o 25.520  12.162  96.344     208.270  96.344     208.270  0.0000     0.0000   25.520  12.162  ?       ?       0.000000       12.16191 
1 1 1 -26 -9  22 o 18.304  8.3747  1.2618     83.495   153.851    192.273  -34.1999   92.690   26.873  12.443  17.544  8.2877  9.329210       14.95069 
1 1 1 -26 -9  23 o 20.276  8.1628  54.849     61.650   55.198     84.545   54.454     90.091   21.256  9.1261  21.433  9.3116  -0.1772690     13.03812 
1 1 1 -26 -9  24 o 37.344  7.7501  216.185    67.925   183.581    94.439   251.128    97.767   30.784  10.522  36.663  10.470  -5.878773      14.84371 
1 1 1 -26 -9  25 o 77.303  4.9049  802.645    91.524   807.980    127.671  797.004    131.272  73.542  7.2489  72.419  7.5830  1.123238       10.49044 
1 1 1 -26 -9  26 o 31.195  8.0455  156.523    61.295   217.006    78.898   64.440     97.351   35.709  9.0842  22.082  9.6353  13.62629       13.24246 
1 1 1 -26 -9  27 f 24.939  8.4036  103.492    60.235   39.355     79.580   189.528    92.170   19.878  8.6915  31.220  10.395  -11.34169      13.54956 
1 1 1 -26 -9  28 o 20.798  7.9299  64.692     55.566   58.505     72.583   73.453     86.364   20.754  8.6592  22.161  9.3579  -1.407448      12.74960 
1 1 1 -26 -9  29 o 23.891  8.5792  96.320     63.296   84.428     84.242   111.738    95.919   22.754  9.3972  24.600  10.078  -1.846712      13.77978 
1 1 1 -26 -9  30 o 23.436  8.5301  92.710     62.850   118.112    82.845   58.266     96.470   25.174  9.6626  21.341  9.4413  3.832623       13.50941 
1 1 1 -26 -9  31 o 26.540  9.5948  134.017    79.325   120.263    92.250   173.043    155.393  24.920  10.002  26.382  11.807  -1.461414      15.47384 
1 1 1 -26 -9  32 o 35.179  9.3384  224.116    81.042   243.508    95.108   172.715    154.842  34.876  10.431  26.071  11.718  8.804821       15.68802 
1 1 1 -26 -9  33 o 27.272  12.024  212.638    155.193  0.0000     0.0000   212.638    155.193  ?       ?       27.272  12.024  0.000000       12.02428 
1 1 1 -26 -9  34 o 41.493  7.2866  271.319    70.684   326.406    93.378   197.398    108.169  42.544  9.3049  28.733  11.038  13.81042       14.43686 
1 1 1 -26 -9  35 o 24.305  9.3453  117.207    77.576   117.207    77.576   0.0000     0.0000   24.305  9.3453  ?       ?       0.000000       9.345286 
1 1 1 -26 -9  36 o 23.891  9.3454  115.648    78.608   115.648    78.608   0.0000     0.0000   23.891  9.3454  ?       ?       0.000000       9.345428 
1 1 1 -26 -9  37 o 17.065  7.8271  14.300     73.550   14.300     73.550   0.0000     0.0000   17.065  7.8271  ?       ?       0.000000       7.827109 
1 1 1 -26 -9  38 o 38.346  13.013  440.274    144.450  30.502     325.546  540.729    161.186  ?       ?       41.453  13.743  0.000000       13.74333 
1 1 1 -26 -9  39 o 17.306  7.5313  36.628     59.132   -389.3657  277.307  56.921     60.524   ?       ?       18.859  7.8913  0.000000       7.891283 
1 1 1 -26 -9  40 o 27.168  7.6129  131.128    52.195   107.736    75.717   152.310    72.050   22.374  9.0326  26.653  9.1871  -4.279654      12.88371 
1 1 1 -26 -9  41 o 21.185  7.6901  83.314     51.033   92.765     77.147   75.961     68.049   20.983  8.8515  19.953  8.3596  1.029263       12.17507 
1 1 1 -26 -9  42 f 15.592  6.8957  23.495     51.425   51.289     73.549   -3.0879    71.930   18.209  8.1378  15.487  7.3116  2.721057       10.94003 
1 1 1 -26 -9  43 o 33.699  7.1474  194.281    56.631   185.288    85.322   201.362    75.713   26.948  9.9188  30.186  9.3629  -3.237911      13.63992 
1 1 1 -26 -9  44 o 13.881  6.4925  -6.6277    54.442   49.610     67.071   -115.2404  93.210   17.759  7.8635  13.610  6.8030  4.148186       10.39785 
1 1 1 -26 -9  45 o 13.118  6.2668  -25.5250   56.017   47.290     73.425   -126.9241  86.647   17.714  8.0055  12.889  6.4597  4.824826       10.28672 
1 1 1 -26 -9  46 o 20.504  8.3156  88.423     64.490   42.644     87.998   141.535    94.785   17.806  8.3037  22.598  9.6815  -4.791639      12.75474 
1 1 1 -26 -9  47 o 17.179  7.8818  35.989     74.659   34.860     89.955   38.488     133.841  17.564  8.2565  18.491  9.0345  -0.9273338     12.23893 
1 1 1 -26 -9  48 o 21.201  10.124  145.992    145.839  0.0000     0.0000   145.992    145.839  ?       ?       21.201  10.124  0.000000       10.12396 
1 1 1 -26 -9  49 o 17.950  8.4031  43.468     91.554   0.0000     0.0000   43.468     91.554   ?       ?       17.950  8.4031  0.000000       8.403095 
1 1 1 -26 -9  50 o 23.113  9.8078  153.771    95.614   59.975     306.360  163.893    100.641  ?       ?       23.344  9.9879  0.000000       9.987886 
1 1 1 -26 -9  51 o 15.402  7.6209  -51.0333   105.599  -179.1541  301.704  -33.1465   112.729  ?       ?       16.069  7.9369  0.000000       7.936893 
1 1 1 -26 -9  52 o 14.903  7.4525  -79.8990   112.456  -420.2368  305.216  -26.4397   120.966  ?       ?       16.195  8.0386  0.000000       8.038555 
1 1 1 -26 -8  1  o 17.980  6.6269  46.099     38.104   0.0000     0.0000   46.099     38.104   ?       ?       17.980  6.6269  0.000000       6.626947 
1 1 1 -26 -8  2  o 6.3879  3.1876  -49.6019   20.090   -53.8636   56.361   -48.9815   21.503   12.786  6.1543  6.7736  3.3667  6.012275       7.014979 
1 1 1 -26 -8  3  o 28.547  5.5974  116.243    37.386   142.998    68.715   104.992    44.558   28.353  8.9400  26.050  6.9288  2.302437       11.31071 
1 1 1 -26 -8  4  o 14.261  6.2875  4.1574     42.432   4.7603     97.661   4.0171     47.112   19.026  8.8304  14.826  6.5763  4.199907       11.01018 
1 1 1 -26 -8  5  o 45.204  5.1314  279.921    55.286   491.800    145.123  243.950    59.795   48.251  12.345  41.173  6.1759  7.078423       13.80365 
1 1 1 -26 -8  6  o 42.872  4.9472  249.481    50.519   198.054    99.889   267.155    58.560   31.241  10.815  43.699  5.6556  -12.45767      12.20410 
1 1 1 -26 -8  7  o 26.341  5.8249  99.378     36.241   127.279    53.735   76.097     49.085   28.402  7.6334  22.165  7.5854  6.237122       10.76135 
1 1 1 -26 -8  8  o 23.873  6.5596  84.906     39.168   91.628     63.196   80.714     49.909   23.701  8.5646  22.761  7.6495  0.9400101      11.48337 
1 1 1 -26 -8  9  o 53.482  5.8913  400.732    75.182   491.488    196.377  385.146    81.382   40.602  15.029  51.498  6.6696  -10.89630      16.44237 
1 1 1 -26 -8  10 o 38.412  6.2184  210.712    55.977   213.029    78.003   208.252    80.378   35.671  9.0097  34.844  9.3238  0.8278275      12.96565 
1 1 1 -26 -8  11 o 11.904  5.6923  -46.3242   46.440   -93.6356   62.626   11.475     69.220   12.402  6.0846  17.738  7.9136  -5.336078      9.982339 
1 1 1 -26 -8  12 o 58.608  6.0423  482.085    84.693   518.404    99.885   389.179    159.754  59.367  7.0734  39.692  13.680  19.67494       15.40056 
1 1 1 -26 -8  13 o 66.310  6.3037  623.028    100.204  666.985    122.732  535.151    173.534  66.252  7.7831  47.764  14.041  18.48782       16.05417 
1 1 1 -26 -8  14 o 52.165  7.4072  406.467    91.121   484.513    109.923  235.027    162.917  55.564  8.4168  30.699  12.902  24.86461       15.40466 
1 1 1 -26 -8  15 o 73.954  4.4850  719.657    80.100   694.171    114.542  744.048    112.056  69.058  6.9292  72.286  6.4568  -3.228027      9.471228 
1 1 1 -26 -8  16 o 51.185  5.3365  356.919    65.302   310.868    93.939   399.982    90.841   43.393  9.2072  51.706  7.4561  -8.313663      11.84761 
1 1 1 -26 -8  17 f 19.983  7.7982  53.625     54.635   -10.6165   79.166   112.048    75.495   17.494  8.0596  25.666  9.3478  -8.171495      12.34254 
1 1 1 -26 -8  18 o 56.234  5.3882  431.225    72.620   384.565    105.471  473.286    100.137  48.206  9.3545  56.160  7.5389  -7.953846      12.01424 
1 1 1 -26 -8  19 o 71.791  7.8503  784.268    134.520  952.386    272.308  729.997    154.716  53.799  17.864  65.305  10.089  -11.50567      20.51654 
1 1 1 -26 -8  20 o 41.853  10.550  317.246    107.113  167.554    230.268  358.580    121.001  27.458  12.999  43.283  11.373  -15.82567      17.27184 
1 1 1 -26 -8  21 o 57.223  9.4531  543.417    126.670  651.217    258.519  509.360    145.308  41.335  16.689  51.204  11.919  -9.869198      20.50825 
1 1 1 -26 -8  22 o 55.919  5.5084  429.336    73.769   453.212    99.318   399.955    110.174  54.634  7.7060  48.595  9.6838  6.039272       12.37574 
1 1 1 -26 -8  23 o 24.635  8.3688  98.354     59.742   96.015     78.542   101.564    92.028   24.109  9.3661  24.530  9.9388  -0.4208794     13.65665 
1 1 1 -26 -8  24 o 24.529  8.3605  97.702     59.626   126.458    78.747   59.063     91.282   26.709  9.5715  21.771  9.4155  4.937717       13.42631 
1 1 1 -26 -8  25 o 63.971  5.2113  556.249    80.187   580.038    109.511  528.752    117.737  62.113  7.4128  57.264  8.7514  4.848343       11.46894 
1 1 1 -26 -8  26 o 32.479  8.1524  169.686    64.148   67.041     84.651   308.135    98.313   21.924  9.2615  41.935  9.8328  -20.01096      13.50771 
1 1 1 -26 -8  27 o 19.661  7.8963  51.071     57.540   55.264     74.311   44.791     90.931   20.708  8.7088  20.782  9.1813  -0.7366180E-01 12.65463 
1 1 1 -26 -8  28 o 52.490  6.0564  391.763    75.720   347.672    101.039  448.249    114.363  44.832  9.5792  51.106  9.5744  -6.273960      13.54363 
1 1 1 -26 -8  29 o 56.818  5.7324  453.174    77.949   411.155    106.697  501.271    114.153  49.198  9.2782  55.121  8.8334  -5.922474      12.81065 
1 1 1 -26 -8  30 o 14.837  6.8357  -13.7576   56.951   41.428     70.618   -116.4204  96.319   19.355  8.3262  15.111  7.4394  4.244787       11.16559 
1 1 1 -26 -8  31 o 21.703  9.0009  73.428     77.754   21.468     89.743   229.865    155.716  19.177  8.7387  28.860  12.388  -9.683556      15.16005 
1 1 1 -26 -8  32 o 13.911  6.6915  -55.3638   66.375   -60.4202   74.334   -35.4716   147.436  14.563  7.0237  19.868  9.6567  -5.305209      11.94086 
1 1 1 -26 -8  33 o 36.615  11.198  289.806    108.741  0.0000     0.0000   289.806    108.741  ?       ?       36.615  11.198  0.000000       11.19840 
1 1 1 -26 -8  34 o 17.315  7.9234  9.4593     74.775   9.4593     74.775   0.0000     0.0000   17.315  7.9234  ?       ?       0.000000       7.923433 
1 1 1 -26 -8  35 o 26.652  9.7249  146.973    81.765   146.973    81.765   0.0000     0.0000   26.652  9.7249  ?       ?       0.000000       9.724942 
1 1 1 -26 -8  36 o 19.357  8.4817  50.748     76.142   50.748     76.142   0.0000     0.0000   19.357  8.4817  ?       ?       0.000000       8.481689 
1 1 1 -26 -8  37 o 17.851  8.5983  -17.2321   110.501  219.049    272.540  -63.7152   120.882  23.643  11.789  17.168  8.4287  6.475021       14.49201 
1 1 1 -26 -8  38 o 24.083  9.2179  121.639    75.260   276.744    287.530  110.231    77.979   23.680  11.853  23.008  9.2095  0.6710587      15.00995 
1 1 1 -26 -8  39 o 21.247  8.4365  85.933     64.932   -104.9799  287.262  96.212     66.658   ?       ?       22.083  8.6148  0.000000       8.614789 
1 1 1 -26 -8  40 o 21.031  7.6144  79.795     49.986   74.516     78.298   83.427     64.942   20.036  8.6926  20.822  8.3796  -0.7858372     12.07389 
1 1 1 -26 -8  41 o 19.712  7.5868  69.687     51.162   0.3693     70.637   146.183    74.204   15.684  7.3546  25.495  9.2702  -9.811607      11.83329 
1 1 1 -26 -8  42 o 13.668  6.2580  0.3538     46.731   -79.8634   72.527   57.297     61.106   12.953  6.3919  18.411  7.8277  -5.458708      10.10588 
1 1 1 -26 -8  43 f 18.979  7.3939  64.464     49.055   99.083     76.684   40.485     63.821   21.051  8.8496  17.215  7.6442  3.835943       11.69398 
1 1 1 -26 -8  44 o 19.938  8.0396  78.592     59.906   66.078     75.438   99.956     98.568   18.871  8.3487  20.444  9.2541  -1.572762      12.46353 
1 1 1 -26 -8  45 o 28.160  8.5918  163.284    64.060   190.182    83.059   123.791    100.642  27.515  9.8333  21.460  9.5604  6.055038       13.71477 
1 1 1 -26 -8  46 o 17.163  7.5462  42.757     60.731   82.103     66.221   -165.4339  152.327  19.996  8.3008  15.724  7.9599  4.271483       11.50057 
1 1 1 -26 -8  47 o 16.049  8.0656  -109.2984  139.937  0.0000     0.0000   -109.2984  139.937  ?       ?       16.049  8.0656  0.000000       8.065558 
1 1 1 -26 -8  48 o 19.655  9.6566  78.439     159.550  0.0000     0.0000   78.439     159.550  ?       ?       19.655  9.6566  0.000000       9.656555 
1 1 1 -26 -8  49 o 17.573  8.2767  33.295     91.171   -108.3502  289.823  48.851     96.047   ?       ?       18.267  8.5692  0.000000       8.569199 
1 1 1 -26 -8  50 o 22.261  8.5449  109.879    64.789   111.572    89.616   108.025    93.775   21.002  9.2021  20.684  9.2205  0.3181992      13.02672 
1 1 1 -26 -8  51 o 22.145  10.228  183.008    128.694  622.032    321.995  99.545     140.395  22.528  11.422  19.454  9.4480  3.074097       14.82305 
1 1 1 -26 -8  52 o 17.829  8.6171  53.524     113.302  471.601    318.105  -7.2209    121.254  ?       ?       16.534  8.1787  0.000000       8.178688 
1 1 1 -26 -7  1  o 16.260  5.8955  35.381     29.980   -17.5774   68.785   47.801     33.311   15.764  7.3480  18.199  6.2482  -2.434628      9.645364 
1 1 1 -26 -7  2  o 33.084  4.6328  148.317    36.170   234.763    61.336   102.228    44.786   39.831  6.5760  25.657  6.9997  14.17360       9.604116 
1 1 1 -26 -7  3  o 13.695  6.0028  4.0486     38.169   77.025     67.845   -29.7459   46.169   22.030  8.6627  12.587  5.9164  9.442255       10.49031 
1 1 1 -26 -7  4  o 27.837  8.0596  126.782    57.563   157.709    120.603  117.659    65.506   27.142  11.230  26.154  8.7637  0.9881344      14.24449 
1 1 1 -26 -7  5  o 18.627  6.7364  48.542     39.107   28.106     116.471  51.139     41.517   21.108  9.7424  19.030  6.9319  2.078064       11.95683 
1 1 1 -26 -7  6  f 9.0767  4.3329  -29.9790   26.670   -48.2558   41.760   -17.3884   34.660   11.020  5.3026  11.536  5.3211  -0.5161753     7.512154 
1 1 1 -26 -7  7  f 19.618  6.8240  55.414     39.795   159.120    62.231   -16.3313   51.761   31.522  8.0944  14.223  6.5392  17.29931       10.40580 
1 1 1 -26 -7  8  o 28.493  6.8181  121.169    46.508   116.126    73.695   124.507    59.955   25.950  9.2637  27.638  8.2852  -1.687805      12.42819 
1 1 1 -26 -7  9  o 26.572  7.1572  107.530    47.179   186.753    72.486   49.300     62.144   33.594  8.7908  19.894  8.1269  13.69971       11.97185 
1 1 1 -26 -7  10 o 29.177  7.0547  128.031    49.394   161.980    72.520   98.652     67.462   30.895  9.0755  24.518  8.8507  6.377056       12.67674 
1 1 1 -26 -7  11 o 26.507  7.6976  109.860    52.438   112.556    70.645   106.551    78.253   25.845  9.0863  25.107  9.4486  0.7389221      13.10868 
1 1 1 -26 -7  12 o 13.822  6.5907  -50.9518   61.342   -80.8980   70.765   39.570     123.033  13.849  6.7218  22.253  10.176  -8.403679      12.19557 
1 1 1 -26 -7  13 o 40.066  8.9026  261.186    84.300   226.344    102.217  335.275    149.058  34.336  10.912  37.705  13.202  -3.368755      17.12760 
1 1 1 -26 -7  14 o 27.969  8.0844  124.466    57.961   191.930    91.704   79.587     74.795   32.250  10.345  22.909  9.0679  9.340096       13.75647 
1 1 1 -26 -7  15 o 22.475  7.6375  76.677     49.758   80.777     72.631   73.052     68.304   22.982  8.9850  22.244  8.7086  0.7378407      12.51276 
1 1 1 -26 -7  16 o 16.077  6.9016  15.105     48.340   -32.2406   69.788   58.770     67.021   15.639  7.3261  21.007  8.4920  -5.367655      11.21546 
1 1 1 -26 -7  17 o 23.630  7.8369  86.568     52.411   79.986     73.222   93.484     75.053   22.927  9.0046  24.087  9.2085  -1.159334      12.87940 
1 1 1 -26 -7  18 o 18.748  7.5240  41.712     52.197   18.967     72.182   66.642     75.570   18.524  8.1823  21.927  8.9601  -3.402828      12.13399 
1 1 1 -26 -7  19 f 25.609  9.9827  113.426    89.454   217.401    221.661  93.198     97.769   28.970  13.396  24.227  10.074  4.743486       16.76101 
1 1 1 -26 -7  20 o 46.134  10.184  370.234    110.949  77.235     245.314  445.579    124.399  25.858  12.542  50.220  10.545  -24.36253      16.38582 
1 1 1 -26 -7  21 o 21.260  8.7408  59.850     72.463   -119.1215  213.458  83.162     77.038   21.861  10.820  23.189  9.1951  -1.327925      14.19956 
1 1 1 -26 -7  22 o 19.034  7.7405  42.710     56.055   61.813     74.308   17.485     85.390   21.450  8.8388  19.328  8.6933  2.122128       12.39754 
1 1 1 -26 -7  23 o 25.723  8.3922  107.707    60.193   99.221     80.245   118.624    91.020   24.427  9.4734  25.847  10.071  -1.419628      13.82658 
1 1 1 -26 -7  24 o 29.163  8.4345  139.275    63.072   218.069    82.716   29.820     97.490   35.633  9.4227  20.575  9.2682  15.05847       13.21691 
1 1 1 -26 -7  25 o 40.580  6.9570  243.260    66.036   164.182    86.553   353.413    102.153  29.754  10.073  45.705  9.5205  -15.95045      13.86035 
1 1 1 -26 -7  26 o 34.202  8.0900  186.128    66.086   151.729    87.402   232.045    100.980  28.470  10.096  34.480  10.832  -6.009109      14.80812 
1 1 1 -26 -7  27 o 14.459  6.7397  -25.4278   57.860   -29.9648   74.372   -18.4712   92.092   16.030  7.5264  17.993  8.4246  -1.962543      11.29692 
1 1 1 -26 -7  28 o 20.189  8.1605  55.364     61.884   60.142     81.697   48.931     94.788   21.274  9.0479  21.121  9.3504  0.1526604      13.01134 
1 1 1 -26 -7  29 f 17.061  7.4700  17.863     58.967   -20.3744   75.743   76.695     93.951   16.473  7.6891  22.519  9.6430  -6.046316      12.33331 
1 1 1 -26 -7  30 o 26.925  9.2900  131.542    73.682   103.564    82.713   239.082    162.163  24.131  9.5408  29.410  12.633  -5.278879      15.83129 
1 1 1 -26 -7  31 o 20.467  8.6088  57.449     72.629   74.287     83.847   6.8498     145.350  21.901  9.2327  21.048  10.066  0.8526497      13.65925 
1 1 1 -26 -7  32 o 27.045  12.258  206.868    173.598  0.0000     0.0000   206.868    173.598  ?       ?       27.045  12.258  0.000000       12.25798 
1 1 1 -26 -7  33 o 13.871  6.6503  -49.0243   64.330   -15.9537   72.437   -172.4566  139.943  16.056  7.5030  16.735  8.3604  -0.6789284     11.23349 
1 1 1 -26 -7  34 o 41.354  9.5222  313.386    93.573   313.386    93.573   0.0000     0.0000   41.354  9.5222  ?       ?       0.000000       9.522158 
1 1 1 -26 -7  35 o 19.671  8.5569  52.864     76.271   52.864     76.271   0.0000     0.0000   19.671  8.5569  ?       ?       0.000000       8.556873 
1 1 1 -26 -7  36 o 11.822  5.7828  -70.4686   55.320   -6.4972    65.870   -223.6010  101.912  15.625  7.2521  13.078  6.6095  2.547359       9.812155 
1 1 1 -26 -7  37 o 16.546  7.9045  -22.4521   89.117   260.575    273.376  -56.1046   94.266   24.155  12.005  15.838  7.7034  8.316801       14.26443 
1 1 1 -26 -7  38 o 22.253  9.1254  100.482    78.728   350.160    287.594  80.256     81.855   24.521  12.208  20.848  8.9661  3.673662       15.14677 
1 1 1 -26 -7  39 o 10.804  5.2276  -45.2798   41.973   -26.3386   64.529   -59.1710   55.261   14.295  6.8004  12.036  5.8639  2.259015       8.979424 
1 1 1 -26 -7  40 o 17.667  7.1161  47.877     46.878   -7.7317    72.071   88.657     61.718   15.560  7.3377  21.385  8.3040  -5.824280      11.08147 
1 1 1 -26 -7  41 o 14.619  6.4116  16.877     43.601   -71.6985   72.002   68.162     54.788   13.213  6.4906  19.485  7.7455  -6.271990      10.10549 
1 1 1 -26 -7  42 f 19.847  7.5079  71.790     49.562   81.107     77.836   65.437     64.276   20.017  8.6758  19.038  8.0579  0.9796791      11.84052 
1 1 1 -26 -7  43 o 22.956  7.7782  101.228    51.607   144.975    77.200   65.886     69.389   24.587  9.3538  18.954  8.2031  5.633429       12.44122 
1 1 1 -26 -7  44 o 29.177  8.4124  168.956    62.831   112.173    80.112   259.703    101.275  21.725  9.0835  30.385  10.858  -8.660524      14.15672 
1 1 1 -26 -7  45 o 23.513  8.5990  119.766    63.979   69.785     81.306   201.039    103.679  19.090  8.5422  25.680  10.495  -6.589611      13.53160 
1 1 1 -26 -7  46 o 16.062  8.0845  -118.8245  143.654  0.0000     0.0000   -118.8245  143.654  ?       ?       16.062  8.0845  0.000000       8.084452 
1 1 1 -26 -7  47 o 17.491  8.7302  -40.3354   151.024  0.0000     0.0000   -40.3354   151.024  ?       ?       17.491  8.7302  0.000000       8.730174 
1 1 1 -26 -7  48 o 15.761  7.6439  -23.1835   91.063   0.0000     0.0000   -23.1835   91.063   ?       ?       15.761  7.6439  0.000000       7.643888 
1 1 1 -26 -7  49 o 15.825  7.0649  25.712     55.270   -2.5987    66.532   88.754     99.283   15.008  7.0691  19.902  9.1157  -4.893887      11.53551 
1 1 1 -26 -7  50 o 16.171  7.9890  -39.0482   114.406  -131.0104  268.837  -18.7106   126.425  ?       ?       16.977  8.3892  0.000000       8.389207 
1 1 1 -26 -7  51 o 19.239  9.1308  89.363     115.012  78.597     284.393  91.468     125.754  ?       ?       19.246  9.2464  0.000000       9.246428 
1 1 1 -26 -7  52 o 22.261  10.218  203.031    125.655  418.658    248.705  129.123    145.606  21.540  10.815  19.465  9.4912  2.074461       14.38947 
1 1 1 -26 -6  1  o 34.378  4.9040  161.833    39.748   215.077    73.110   139.491    47.358   35.879  8.5241  30.524  6.5874  5.354467       10.77287 
1 1 1 -26 -6  2  o ?       ?       -138.0880  10.014   -85.4780   39.914   -141.6219  10.345   9.1991  4.5746  ?       ?       0.000000       4.574601 
1 1 1 -26 -6  3  o 21.847  7.6756  74.193     50.408   113.122    109.132  63.635     56.835   24.816  10.501  20.751  7.9935  4.064964       13.19745 
1 1 1 -26 -6  4  o 45.185  5.3212  280.753    57.222   261.808    141.348  284.467    62.579   32.560  12.588  44.925  5.8822  -12.36488      13.89474 
1 1 1 -26 -6  5  o 50.315  4.1130  331.128    49.775   371.923    73.690   296.898    67.501   51.312  6.0340  45.558  6.2727  5.754169       8.703751 
1 1 1 -26 -6  6  o 29.725  6.4405  129.062    45.110   180.809    69.185   90.794     59.496   33.246  8.5333  23.763  8.3394  9.483280       11.93158 
1 1 1 -26 -6  7  o 45.306  5.2384  279.690    56.524   332.024    90.492   246.208    72.382   45.741  8.4652  40.066  7.7256  5.675377       11.46055 
1 1 1 -26 -6  8  o 10.083  4.8548  -43.8478   35.149   -64.8388   55.731   -29.9835   45.293   12.498  6.0411  12.574  5.8941  -0.7620049E-01 8.440095 
1 1 1 -26 -6  9  o 9.2568  4.5498  -63.7212   35.535   -73.9811   54.720   -56.2390   46.729   12.020  5.8516  11.524  5.5608  0.4958649      8.072398 
1 1 1 -26 -6  10 o 13.037  5.9219  -11.6062   40.799   -16.2397   62.149   -8.0971    54.085   15.567  7.1602  15.091  6.8409  0.4754019      9.902866 
1 1 1 -26 -6  11 o 20.580  8.1433  56.981     60.301   32.119     69.587   131.938    120.827  19.170  8.2558  26.610  11.143  -7.440302      13.86849 
1 1 1 -26 -6  12 o 21.489  8.5496  64.455     66.806   95.899     80.819   -3.3898    118.712  24.319  9.4861  20.551  9.6039  3.768360       13.49897 
1 1 1 -26 -6  13 o 18.004  7.6811  26.317     59.212   60.625     69.448   -65.0147   113.312  21.282  8.6299  18.265  8.7756  3.016207       12.30799 
1 1 1 -26 -6  14 o 18.025  7.2247  36.851     48.064   42.907     73.348   32.293     63.628   20.174  8.5764  18.795  7.9891  1.378693       11.72092 
1 1 1 -26 -6  15 o 28.073  7.3149  119.613    50.329   62.570     70.354   179.403    72.028   21.486  8.6954  33.091  8.8132  -11.60453      12.38072 
1 1 1 -26 -6  16 o 23.926  8.0849  89.418     55.756   64.698     77.580   115.827    80.186   21.909  9.0301  26.042  9.6107  -4.132734      13.18741 
1 1 1 -26 -6  17 o 19.849  7.7562  51.717     54.102   26.650     71.927   84.378     82.104   19.018  8.2906  23.475  9.4309  -4.457031      12.55692 
1 1 1 -26 -6  18 o 22.158  9.4230  62.579     88.598   310.616    211.721  9.9235     97.550   32.347  14.159  19.867  9.0757  12.47956       16.81818 
1 1 1 -26 -6  19 o 17.603  8.1746  -18.6095   83.865   -291.6018  208.874  33.858     91.570   19.497  9.8052  20.650  9.1638  -1.152981      13.42075 
1 1 1 -26 -6  20 o 25.317  9.9543  109.029    89.573   -81.9411   213.883  149.646    98.640   22.570  11.107  28.225  10.611  -5.655014      15.36083 
1 1 1 -26 -6  21 o 19.771  7.8632  50.077     56.492   60.514     80.954   40.171     78.869   21.681  9.1024  20.264  8.7578  1.416689       12.63142 
1 1 1 -26 -6  22 o 18.977  7.8348  39.899     58.529   6.6474     81.559   75.206     84.042   18.543  8.4034  22.750  9.3901  -4.207890      12.60124 
1 1 1 -26 -6  23 o 11.114  5.4893  -97.2231   53.889   -80.2671   78.573   -112.2827  74.048   14.723  7.1309  13.267  6.5302  1.455980       9.669201 
1 1 1 -26 -6  24 o 18.429  7.8677  30.176     62.200   35.950     85.984   23.837     90.088   20.312  8.9533  19.910  8.9446  0.4018822      12.65573 
1 1 1 -26 -6  25 o 66.577  5.4314  606.293    86.976   480.955    121.404  738.461    124.668  53.211  9.7627  70.225  7.4292  -17.01400      12.26800 
1 1 1 -26 -6  26 o 22.745  8.5688  81.403     64.392   105.239    91.705   58.223     90.435   24.699  9.9514  21.663  9.3703  3.036028       13.66874 
1 1 1 -26 -6  27 o 59.059  5.9164  489.652    83.642   474.326    115.973  506.266    120.746  53.293  9.3073  54.940  9.3953  -1.647766      13.22493 
1 1 1 -26 -6  28 o 44.154  7.2396  293.714    74.873   388.264    104.722  194.840    107.089  47.946  9.3375  30.498  11.129  17.44702       14.52763 
1 1 1 -26 -6  29 o 16.923  7.6697  2.6366     67.948   19.594     97.874   -13.1401   94.405   19.797  9.0615  18.242  8.5378  1.554834       12.45006 
1 1 1 -26 -6  30 o 14.749  7.1359  -70.7098   78.182   -45.1367   95.042   -124.2350  137.499  17.056  8.1524  17.840  8.8033  -0.7838078     11.99829 
1 1 1 -26 -6  31 o 21.577  9.2016  68.644     84.911   -65.0399   103.102  350.466    149.697  16.943  8.1967  36.178  13.165  -19.23459      15.50824 
1 1 1 -26 -6  32 o 32.795  10.550  220.006    95.321   247.001    115.900  163.575    167.570  32.556  11.618  25.723  11.804  6.832857       16.56230 
1 1 1 -26 -6  33 o 27.924  10.393  166.160    94.167   166.160    94.167   0.0000     0.0000   27.924  10.393  ?       ?       0.000000       10.39303 
1 1 1 -26 -6  34 o 33.363  10.707  238.803    98.229   238.803    98.229   0.0000     0.0000   33.363  10.707  ?       ?       0.000000       10.70692 
1 1 1 -26 -6  35 o 15.327  7.0380  -3.5956    59.706   -12.9012   74.183   13.518     100.600  16.118  7.5516  18.775  8.7955  -2.656723      11.59255 
1 1 1 -26 -6  36 o 38.138  12.039  361.700    124.580  345.098    249.993  367.184    143.693  26.392  12.767  35.016  12.875  -8.623808      18.13114 
1 1 1 -26 -6  37 o 19.901  9.0406  55.282     95.107   -144.3667  242.865  91.445     103.363  19.638  9.9529  21.693  9.6745  -2.054125      13.88002 
1 1 1 -26 -6  38 o 24.276  10.310  147.887    105.815  501.144    258.093  76.511     116.013  27.689  13.287  20.833  9.6534  6.855827       16.42389 
1 1 1 -26 -6  39 o 26.504  8.3807  133.968    60.354   116.538    83.071   153.454    87.834   22.962  9.3900  25.403  9.8948  -2.440887      13.64109 
1 1 1 -26 -6  40 o 14.387  6.6654  -4.1603    55.277   110.546    72.974   -158.5784  84.669   22.719  8.9681  12.415  6.2434  10.30420       10.92737 
1 1 1 -26 -6  41 o 11.986  5.7691  -39.2559   49.519   -70.1076   64.109   6.3799     77.971   12.502  6.1379  16.355  7.6879  -3.853728      9.837575 
1 1 1 -26 -6  42 f 21.391  8.0019  89.570     55.959   47.373     73.234   148.781    86.749   17.998  8.0765  24.181  9.7012  -6.182631      12.62313 
1 1 1 -26 -6  43 o 23.424  8.5243  116.197    62.761   184.451    80.330   9.2562     100.551  27.727  9.6924  17.185  8.2592  10.54164       12.73414 
1 1 1 -26 -6  44 o 10.751  5.3137  -74.5996   50.829   -40.4480   60.900   -153.0168  92.281   13.051  6.3102  12.891  6.4873  0.1602945      9.050080 
1 1 1 -26 -6  45 o 11.914  5.8240  -57.3321   55.844   2.3622     67.906   -182.0420  98.150   15.357  7.2045  12.826  6.4828  2.530656       9.691803 
1 1 1 -26 -6  46 o 14.978  7.5883  -195.1101  140.309  0.0000     0.0000   -195.1101  140.309  ?       ?       14.978  7.5883  0.000000       7.588260 
1 1 1 -26 -6  47 o 16.109  8.1134  -127.4724  145.944  0.0000     0.0000   -127.4724  145.944  ?       ?       16.109  8.1134  0.000000       8.113393 
1 1 1 -26 -6  48 o 17.236  7.4181  44.354     56.110   65.488     68.495   1.2388     97.833   18.899  8.1647  16.813  8.0965  2.085470       11.49853 
1 1 1 -26 -6  49 o 13.912  6.4908  -5.0621    53.869   -1.1368    65.104   -13.5844   95.928   14.971  7.0332  16.193  7.8519  -1.222614      10.54127 
1 1 1 -26 -6  50 o 16.889  8.1972  5.3568     105.261  -6.1731    206.796  9.3887     122.288  18.405  9.3121  17.433  8.5422  0.9720459      12.63662 
1 1 1 -26 -6  51 o 15.851  7.8464  -36.9581   112.365  -248.8246  208.225  50.086     133.466  ?       ?       18.162  8.9047  0.000000       8.904659 
1 1 1 -26 -6  52 o 18.527  8.8329  85.050     110.096  237.321    223.661  36.356     126.480  19.849  10.003  17.338  8.5340  2.511036       13.14901 
1 1 1 -26 -5  1  o 13.640  5.3605  19.096     25.964   -91.0976   56.728   48.296     29.202   11.596  5.7089  18.383  5.8313  -6.787311      8.160641 
1 1 1 -26 -5  2  o 18.169  7.0140  43.241     43.833   61.389     107.428  39.617     48.011   22.128  9.8662  18.033  7.2234  4.094913       12.22784 
1 1 1 -26 -5  3  o 33.073  6.0861  156.853    47.041   218.300    122.531  146.231    50.944   31.178  11.803  31.212  6.9094  -0.3369522E-01 13.67634 
1 1 1 -26 -5  4  o 17.281  6.0932  40.370     31.788   16.042     48.320   58.933     42.208   16.036  6.8925  20.101  7.0258  -4.065672      9.842153 
1 1 1 -26 -5  5  o 15.075  6.0922  21.616     34.483   19.984     49.225   23.190     48.320   16.484  7.0173  16.669  7.0170  -0.1844463     9.923769 
1 1 1 -26 -5  6  o 41.061  5.2519  230.091    51.126   229.977    76.303   230.184    68.873   37.827  8.5183  38.897  7.5698  -1.070019      11.39573 
1 1 1 -26 -5  7  o 11.201  5.2280  -23.9722   35.001   47.673     56.934   -67.5005   44.377   19.532  7.8510  10.676  5.2130  8.855993       9.424069 
1 1 1 -26 -5  8  o 28.691  6.8114  121.955    46.710   120.006    71.134   123.433    61.933   26.625  9.1312  27.523  8.4568  -0.8989315     12.44576 
1 1 1 -26 -5  9  o 34.230  6.2992  167.469    50.391   210.545    78.585   137.390    65.669   35.632  9.0671  28.894  8.6731  6.738197       12.54725 
1 1 1 -26 -5  10 o 49.193  4.8568  323.045    57.215   332.187    84.041   315.147    78.113   46.993  7.6324  46.241  7.1960  0.7514343      10.48981 
1 1 1 -26 -5  11 o 40.354  7.7756  247.738    73.374   262.297    87.827   214.094    133.511  39.812  9.2657  31.246  12.191  8.565722       15.31271 
1 1 1 -26 -5  12 o 46.179  7.5009  318.293    81.163   270.143    96.450   435.116    150.234  39.389  10.057  45.255  12.997  -5.866653      16.43335 
1 1 1 -26 -5  13 o 42.890  6.0406  257.474    61.123   278.362    81.387   230.451    92.571   42.379  8.2114  36.058  10.151  6.320744       13.05607 
1 1 1 -26 -5  14 o 32.107  7.4301  155.797    56.736   99.704     77.079   222.126    83.818   24.729  9.3611  36.326  9.4276  -11.59706      13.28569 
1 1 1 -26 -5  15 o 11.483  5.5181  -51.1335   44.851   -26.6687   60.814   -80.3107   66.413   14.930  6.9425  13.399  6.5054  1.530588       9.514136 
1 1 1 -26 -5  16 o 22.544  8.1164  76.882     56.686   74.386     78.964   79.536     81.424   22.712  9.2049  23.156  9.3603  -0.4434414     13.12804 
1 1 1 -26 -5  17 f 28.942  8.4868  135.413    63.466   80.559     91.051   187.251    88.513   23.438  9.7319  32.283  10.142  -8.844908      14.05570 
1 1 1 -26 -5  18 o 44.653  10.831  359.677    116.146  612.451    244.897  286.322    131.927  42.469  16.528  36.409  12.436  6.060436       20.68365 
1 1 1 -26 -5  19 o 23.860  9.8318  87.184     91.940   -234.5452  232.179  147.014    100.125  21.136  10.590  28.069  10.659  -6.933382      15.02512 
1 1 1 -26 -5  20 o 40.575  9.1844  270.793    88.315   373.853    240.640  254.751    94.940   33.339  14.822  38.055  10.110  -4.715916      17.94191 
1 1 1 -26 -5  21 o 56.512  5.7816  441.249    78.162   420.667    114.411  459.262    107.034  50.020  9.7771  54.288  8.3965  -4.268204      12.88771 
1 1 1 -26 -5  22 o 40.543  7.4383  246.537    70.478   320.609    105.447  186.732    94.750   42.623  10.309  31.521  10.540  11.10255       14.74314 
1 1 1 -26 -5  23 o 21.571  8.5598  66.068     66.806   90.395     107.018  50.535     85.514   24.161  10.318  21.202  9.1415  2.958420       13.78469 
1 1 1 -26 -5  24 o 12.843  6.2033  -65.7681   58.494   10.012     85.344   -132.9064  80.330   18.944  8.5899  13.420  6.6414  5.524714       10.85790 
1 1 1 -26 -5  25 o 63.910  5.7277  565.397    87.879   976.581    131.149  230.336    118.389  82.441  6.6119  32.862  11.740  49.57848       13.47414 
1 1 1 -26 -5  26 o 19.347  8.1523  40.682     65.319   93.120     92.973   -10.4286   91.788   23.905  9.8724  18.390  8.5441  5.515055       13.05627 
1 1 1 -26 -5  27 o 21.688  8.6029  69.747     67.454   66.792     94.840   72.772     95.959   22.239  9.6076  22.610  9.7154  -0.3708534     13.66368 
1 1 1 -26 -5  28 o 34.345  8.6536  195.775    72.083   190.925    100.789  200.854    103.134  30.697  10.847  31.323  10.980  -0.6256123     15.43451 
1 1 1 -26 -5  29 o 19.914  8.8312  35.806     84.905   68.794     99.657   -51.5419   162.165  22.250  9.7275  20.632  10.051  1.617695       13.98710 
1 1 1 -26 -5  30 o 22.953  9.5450  86.794     87.775   19.422     106.778  227.197    154.145  20.122  9.3017  29.283  12.441  -9.161016      15.53355 
1 1 1 -26 -5  31 o 22.594  9.5304  83.570     89.422   77.176     108.707  96.951     157.263  22.535  9.9932  23.916  11.135  -1.380659      14.96194 
1 1 1 -26 -5  32 o 16.805  8.1092  -56.7491   99.394   -56.7491   99.394   0.0000     0.0000   16.805  8.1092  ?       ?       0.000000       8.109188 
1 1 1 -26 -5  33 o 17.705  8.2318  -0.4205    85.461   -0.4205    85.461   0.0000     0.0000   17.705  8.2318  ?       ?       0.000000       8.231796 
1 1 1 -26 -5  34 o 24.448  9.3243  115.341    76.838   99.304     93.761   148.139    134.084  22.917  9.7177  24.869  11.060  -1.951757      14.72252 
1 1 1 -26 -5  35 o 31.872  8.9451  187.089    72.003   120.282    98.254   264.582    105.821  23.856  10.022  33.969  11.130  -10.11345      14.97713 
1 1 1 -26 -5  36 o 18.001  8.4021  11.161     90.423   -255.8036  222.592  63.922     98.956   18.403  9.3474  20.581  9.2982  -2.177887      13.18452 
1 1 1 -26 -5  37 o 24.353  10.101  138.274    97.938   689.726    241.409  29.631     107.152  34.796  15.178  19.173  9.0123  15.62345       17.65217 
1 1 1 -26 -5  38 o 23.512  8.5197  106.960    62.597   95.465     94.123   116.077    83.820   21.619  9.4526  23.146  9.4449  -1.526335      13.36253 
1 1 1 -26 -5  39 f 14.676  6.8186  -5.7683    58.463   55.148     88.197   -53.5142   78.083   19.259  8.7324  14.452  7.0252  4.806396       11.20751 
1 1 1 -26 -5  40 o 17.435  7.5555  41.012     59.014   55.929     82.474   25.361     84.478   18.967  8.5360  17.591  8.1806  1.375908       11.82312 
1 1 1 -26 -5  41 o 19.274  7.8566  66.614     57.922   4.8484     80.421   133.188    83.493   16.403  7.7400  23.503  9.4863  -7.100220      12.24325 
1 1 1 -26 -5  42 o 21.670  8.2597  95.188     60.270   156.583    83.714   29.119     86.842   25.046  9.6865  17.524  8.1975  7.522287       12.68965 
1 1 1 -26 -5  43 o 14.924  6.8396  8.8125     55.999   1.3009     68.941   23.381     96.009   15.429  7.2448  17.504  8.3178  -2.075838      11.03053 
1 1 1 -26 -5  44 o 18.619  7.8648  61.768     61.038   72.055     76.705   44.011     100.783  19.299  8.4831  18.292  8.6415  1.006451       12.10948 
1 1 1 -26 -5  45 o 16.182  8.1605  -130.6162  150.252  0.0000     0.0000   -130.6162  150.252  ?       ?       16.182  8.1605  0.000000       8.160517 
1 1 1 -26 -5  46 o 21.118  10.315  150.133    174.187  0.0000     0.0000   150.133    174.187  ?       ?       21.118  10.315  0.000000       10.31535 
1 1 1 -26 -5  47 o 14.000  6.5507  -7.8321    55.520   18.024     67.682   -61.0260   97.078   16.158  7.4470  15.139  7.4564  1.018766       10.53830 
1 1 1 -26 -5  48 o 13.502  6.3755  -15.9386   54.738   -41.8512   64.849   48.268     102.080  13.376  6.4783  18.472  8.7176  -5.096378      10.86115 
1 1 1 -26 -5  49 o 14.064  6.5812  -5.5039    56.062   -30.1304   66.568   54.576     103.975  13.875  6.6811  18.550  8.7675  -4.674589      11.02301 
1 1 1 -26 -5  50 o 16.822  8.1809  4.0520     106.229  -18.8729   211.405  11.796     122.868  18.233  9.2451  17.431  8.5458  0.8012829      12.58984 
1 1 1 -26 -5  51 o 18.111  8.7008  59.524     111.338  211.180    234.910  15.586     126.442  19.974  10.089  17.224  8.4885  2.749828       13.18464 
1 1 1 -26 -4  1  o 15.526  6.2671  24.525     36.443   35.164     69.205   20.442     42.868   19.016  8.2113  15.771  6.6227  3.245128       10.54919 
1 1 1 -26 -4  2  o 25.185  7.7955  101.304    52.516   141.732    122.177  92.141     58.163   26.496  11.156  23.832  8.2521  2.664036       13.87655 
1 1 1 -26 -4  3  o 18.497  6.2196  48.229     32.994   31.250     48.604   62.741     44.933   17.380  7.1536  20.610  7.2465  -3.229235      10.18258 
1 1 1 -26 -4  4  o 42.883  4.8430  247.053    49.510   349.403    69.806   143.454    70.230   49.999  5.8654  28.982  9.0222  21.01725       10.76118 
1 1 1 -26 -4  5  o 25.428  6.7500  96.371     42.341   156.014    61.709   43.311     58.204   31.357  8.0649  19.198  7.8563  12.15926       11.25897 
1 1 1 -26 -4  6  o 12.665  5.7301  -9.8911    37.742   77.742     65.335   -53.7807   46.237   22.569  8.6004  11.556  5.5651  11.01348       10.24388 
1 1 1 -26 -4  7  o 11.965  5.5487  -21.8387   38.438   63.074     62.305   -74.0163   48.840   21.194  8.3119  11.155  5.4517  10.03906       9.940296 
1 1 1 -26 -4  8  o 19.420  7.1185  51.920     43.881   43.205     69.817   57.611     56.417   19.978  8.4237  20.507  7.9461  -0.5292587     11.58012 
1 1 1 -26 -4  9  o 14.770  6.3903  8.0491     42.084   122.940    67.103   -66.4385   54.030   27.240  8.8596  12.238  5.9239  15.00108       10.65762 
1 1 1 -26 -4  10 o 27.757  8.9130  127.930    68.063   164.082    81.278   43.066     124.527  30.604  9.7308  22.631  10.305  7.972752       14.17357 
1 1 1 -26 -4  11 o 20.489  8.3235  52.694     64.731   58.386     78.172   40.276     115.460  21.534  8.9857  22.181  10.030  -0.6467915     13.46650 
1 1 1 -26 -4  12 o 43.580  6.7966  274.254    69.526   266.419    105.844  280.200    92.209   37.870  10.919  41.062  9.4508  -3.191822      14.44063 
1 1 1 -26 -4  13 o 35.544  7.4224  189.373    61.948   266.000    87.977   114.019    87.243   40.287  9.2018  25.880  9.9201  14.40701       13.53070 
1 1 1 -26 -4  14 o 33.621  7.7799  173.211    62.209   148.438    86.883   199.272    89.113   28.826  10.080  33.470  10.116  -4.643892      14.28068 
1 1 1 -26 -4  15 o 47.605  6.2422  318.725    70.365   361.037    102.170  280.548    97.050   47.109  9.2685  40.431  9.9582  6.677391       13.60413 
1 1 1 -26 -4  16 o 28.021  8.7058  128.311    65.427   136.587    97.134   121.437    88.521   27.470  10.482  26.462  10.028  1.007895       14.50653 
1 1 1 -26 -4  17 o 40.525  11.113  305.628    112.541  360.672    249.628  291.586    126.082  32.910  14.827  37.581  12.138  -4.671246      19.16169 
1 1 1 -26 -4  18 o 43.609  11.074  349.052    117.395  368.271    257.625  344.016    131.883  32.802  14.893  41.022  12.286  -8.220005      19.30656 
1 1 1 -26 -4  19 o 20.490  9.3103  18.184     100.934  282.082    228.731  -45.6300   112.477  31.073  14.078  18.846  8.9690  12.22701       16.69246 
1 1 1 -26 -4  20 o 33.406  8.2632  176.383    66.608   116.873    100.915  222.325    88.667   25.918  10.440  35.706  9.8930  -9.788008      14.38308 
1 1 1 -26 -4  21 o 16.112  7.2560  -2.5477    59.713   31.641     90.966   -28.4339   79.154   20.518  9.1179  16.771  7.8391  3.746931       12.02447 
1 1 1 -26 -4  22 o 32.272  8.4625  167.696    67.082   -6.2197    101.472  302.711    89.406   19.419  9.0088  43.460  8.7806  -24.04103      12.58001 
1 1 1 -26 -4  23 o 17.911  7.8006  20.480     63.541   67.936     96.515   -15.8251   84.417   22.666  9.7418  17.731  8.2227  4.934904       12.74813 
1 1 1 -26 -4  24 o 30.356  9.3210  158.965    75.252   33.997     117.603  245.611    97.925   21.783  9.9564  36.527  10.494  -14.74349      14.46541 
1 1 1 -26 -4  25 o 28.796  8.9823  140.740    69.572   -2.8210    103.614  258.600    93.883   19.549  9.0809  38.218  10.006  -18.66930      13.51249 
1 1 1 -26 -4  26 o 36.764  9.6423  235.601    87.078   269.310    137.279  212.906    112.639  33.859  12.559  31.872  11.445  1.986423       16.99161 
1 1 1 -26 -4  27 o 21.361  8.4646  66.489     65.242   12.013     96.825   111.789    88.295   19.609  8.9891  25.134  9.8828  -5.524553      13.35939 
1 1 1 -26 -4  28 o 19.509  8.3639  40.201     70.829   -58.4753   102.184  131.459    98.267   17.332  8.3288  26.253  10.393  -8.921518      13.31857 
1 1 1 -26 -4  29 o 23.613  9.8073  94.094     92.505   137.288    109.382  -14.3866   173.345  26.213  10.753  21.800  10.567  4.413067       15.07622 
1 1 1 -26 -4  30 o 17.595  8.2344  -15.3526   87.789   -19.0357   103.429  -5.8615    166.033  18.509  8.7470  21.583  10.431  -3.074409      13.61333 
1 1 1 -26 -4  31 o 16.735  8.1074  -68.4509   101.737  -68.4509   101.737  0.0000     0.0000   16.735  8.1074  ?       ?       0.000000       8.107438 
1 1 1 -26 -4  32 o 54.504  9.3338  517.252    118.998  517.252    118.998  0.0000     0.0000   54.504  9.3338  ?       ?       0.000000       9.333811 
1 1 1 -26 -4  33 o 52.006  7.4419  424.694    91.231   387.412    113.285  493.488    153.887  44.401  10.652  44.123  13.284  0.2773972      17.02734 
1 1 1 -26 -4  34 o 15.927  7.3218  -2.4049    64.862   -69.7348   87.708   78.862     96.358   15.282  7.4325  21.720  9.5286  -6.437657      12.08453 
1 1 1 -26 -4  35 o 23.939  10.031  122.482    98.013   177.097    230.321  110.404    108.310  24.129  11.802  23.094  10.118  1.035234       15.54542 
1 1 1 -26 -4  36 o 18.380  8.5495  19.158     92.341   4.3194     241.693  21.695     99.921   21.351  10.713  18.798  8.7933  2.553167       13.85939 
1 1 1 -26 -4  37 f 19.064  8.7648  39.544     92.977   -256.3026  230.819  96.846     101.583  ?       ?       21.865  9.6799  0.000000       9.679916 
1 1 1 -26 -4  38 o 31.303  8.9134  189.320    70.959   193.637    108.826  186.127    93.591   26.705  10.812  27.649  10.347  -0.9440594     14.96558 
1 1 1 -26 -4  39 o 21.309  8.4240  87.669     64.476   74.530     93.934   99.375     88.660   20.214  9.1025  21.569  9.3037  -1.354528      13.01593 
1 1 1 -26 -4  40 o 24.234  8.7408  122.314    65.777   77.405     95.606   162.677    90.638   20.096  9.1036  25.349  9.9985  -5.253120      13.52205 
1 1 1 -26 -4  41 o 15.419  7.0393  12.151     58.567   15.322     81.855   8.8239     83.834   16.869  7.9126  16.701  7.8871  0.1685276      11.17209 
1 1 1 -26 -4  42 o 20.361  8.3738  83.557     66.535   90.596     92.473   76.002     95.805   20.354  9.1088  19.651  8.9836  0.7033138      12.79362 
1 1 1 -26 -4  43 o 24.567  9.0546  137.053    71.135   70.823     102.289  199.083    98.993   19.361  9.0032  26.345  10.431  -6.984081      13.77888 
1 1 1 -26 -4  44 o 24.055  10.189  170.191    102.895  0.0000     0.0000   170.191    102.895  ?       ?       24.055  10.189  0.000000       10.18902 
1 1 1 -26 -4  45 o 20.292  9.8557  103.186    152.840  0.0000     0.0000   103.186    152.840  ?       ?       20.292  9.8557  0.000000       9.855733 
1 1 1 -26 -4  46 o 14.687  6.9281  -8.6715    64.331   -2.4438    69.953   -42.8109   163.785  15.350  7.2357  17.849  8.9357  -2.498785      11.49794 
1 1 1 -26 -4  47 o 12.405  6.0051  -44.1078   55.559   -78.9813   66.105   39.796     102.536  12.348  6.0950  18.263  8.6540  -5.915168      10.58496 
1 1 1 -26 -4  48 o 18.512  7.8142  60.591     60.183   33.805     72.720   118.822    107.219  17.112  7.8243  21.194  9.6170  -4.082764      12.39778 
1 1 1 -26 -4  49 o 18.565  8.8984  52.905     114.993  30.921     214.423  61.780     136.242  19.014  9.6075  18.983  9.2396  0.3063011E-01  13.32946 
1 1 1 -26 -4  50 o 14.856  7.3905  -74.7798   104.570  319.683    194.209  -235.8354  124.095  22.911  11.123  ?       ?       0.000000       11.12350 
1 1 1 -26 -4  51 o 19.886  9.2870  119.049    110.709  353.645    224.175  43.379     127.318  21.570  10.745  17.686  8.6765  3.883465       13.81065 
1 1 1 -26 -3  1  o 26.047  7.3083  105.364    48.069   171.280    87.379   76.759     57.562   30.107  10.122  22.172  8.1491  7.935642       12.99434 
1 1 1 -26 -3  2  o 26.231  7.1273  105.236    46.545   101.927    56.122   112.527    83.308   25.124  8.0962  25.295  9.6943  -0.1716671     12.63043 
1 1 1 -26 -3  3  o 8.2213  4.0492  -54.7308   28.628   -90.3270   42.456   -25.0498   38.768   9.5266  4.7343  11.784  5.5008  -2.257581      7.257545 
1 1 1 -26 -3  4  o 27.371  6.5777  110.278    43.142   86.794     63.714   130.162    58.627   23.388  8.5769  28.523  8.0950  -5.135639      11.79375 
1 1 1 -26 -3  5  o 44.045  5.5015  266.521    57.514   388.735    91.983   188.069    73.697   50.653  7.7290  33.723  8.8830  16.92945       11.77473 
1 1 1 -26 -3  6  o 18.314  6.8092  44.180     40.400   -2.9012    66.078   72.283     51.053   16.723  7.5728  21.943  7.7234  -5.219843      10.81659 
1 1 1 -26 -3  7  o 15.929  6.5486  22.478     40.673   -35.2994   68.346   54.160     50.610   15.366  7.2147  19.940  7.5764  -4.573827      10.46201 
1 1 1 -26 -3  8  o 25.934  6.9654  100.446    44.760   116.535    65.092   86.014     61.648   26.663  8.7285  23.486  8.4633  3.177107       12.15790 
1 1 1 -26 -3  9  o 37.317  9.2466  230.914    83.297   231.333    104.898  230.200    137.042  34.784  11.054  32.184  12.408  2.600231       16.61803 
1 1 1 -26 -3  10 o 45.277  8.6927  324.170    92.027   322.880    115.428  326.421    152.458  41.634  11.187  37.278  13.322  4.355862       17.39641 
1 1 1 -26 -3  11 o 38.727  9.4319  249.980    87.805   191.310    108.446  361.647    149.612  31.232  11.228  40.110  13.238  -8.877991      17.35842 
1 1 1 -26 -3  12 o 53.822  5.4633  393.939    70.359   370.206    100.970  416.341    98.099   48.130  8.9762  52.405  7.9656  -4.275326      12.00096 
1 1 1 -26 -3  13 o 68.560  4.9320  625.250    81.497   649.419    114.882  600.765    115.630  66.697  7.2137  63.480  7.6619  3.216454       10.52345 
1 1 1 -26 -3  14 o 96.674  4.6111  1225.42    108.163  1168.99    154.979  1279.01    151.029  89.632  7.1864  95.011  6.5920  -5.378540      9.751867 
1 1 1 -26 -3  15 f 96.123  4.7014  1215.12    109.653  1132.45    156.919  1294.01    153.291  87.690  7.4454  95.420  6.6627  -7.729408      9.991236 
1 1 1 -26 -3  16 o 65.777  5.9808  599.134    94.411   521.817    123.467  707.995    146.503  56.849  9.2703  66.034  9.4098  -9.184566      13.20919 
1 1 1 -26 -3  17 o 46.297  10.740  380.564    118.312  694.178    257.806  296.894    133.162  45.078  17.107  37.270  12.495  7.807568       21.18395 
1 1 1 -26 -3  18 o 38.528  11.399  285.100    114.051  22.115     254.693  351.062    127.555  25.451  12.441  42.293  11.919  -16.84286      17.22846 
1 1 1 -26 -3  19 o 49.405  6.3135  344.362    73.954   351.542    108.170  338.061    101.336  45.286  10.101  45.135  9.5511  0.1514397      13.90162 
1 1 1 -26 -3  20 o 37.156  7.9692  212.749    69.691   184.270    98.702   241.063    98.415   31.192  10.753  36.380  10.540  -5.187315      15.05698 
1 1 1 -26 -3  21 o 20.824  8.2274  58.623     61.467   -29.0563   88.319   140.990    85.601   17.572  8.2348  28.110  9.9894  -10.53858      12.94604 
1 1 1 -26 -3  22 o 15.050  6.9354  -18.8525   58.683   52.413     84.665   -84.7438   81.410   21.351  9.1488  14.924  7.2356  6.427379       11.66425 
1 1 1 -26 -3  23 o 19.198  7.9635  40.531     60.883   67.722     87.917   15.476     84.393   22.392  9.4478  19.213  8.6419  3.179428       12.80410 
1 1 1 -26 -3  24 o 41.104  7.2734  251.913    69.887   277.064    102.800  230.300    95.297   38.837  10.609  35.408  10.404  3.428947       14.85916 
1 1 1 -26 -3  25 o 35.596  15.309  460.461    238.660  352.187    305.678  629.516    381.959  30.268  14.508  32.927  15.891  -2.659689      21.51754 
1 1 1 -26 -3  26 o 25.309  8.9571  107.957    68.755   4.0833     106.552  182.065    89.999   19.919  9.2376  31.145  10.267  -11.22524      13.81087 
1 1 1 -26 -3  27 o 39.730  7.6790  243.147    71.347   233.037    102.218  252.753    99.633   34.377  10.911  36.520  10.612  -2.142288      15.22021 
1 1 1 -26 -3  28 o 31.102  10.144  182.967    87.952   185.516    101.683  175.396    175.260  30.162  10.869  27.197  12.323  2.965048       16.43139 
1 1 1 -26 -3  29 o 30.272  10.562  183.460    95.374   155.205    116.552  240.725    165.926  27.091  11.105  29.656  12.760  -2.565235      16.91603 
1 1 1 -26 -3  30 o 30.477  11.656  215.467    120.288  215.467    120.288  0.0000     0.0000   30.477  11.656  ?       ?       0.000000       11.65632 
1 1 1 -26 -3  31 f 22.184  9.7573  74.128     101.613  74.128     101.613  0.0000     0.0000   22.184  9.7573  ?       ?       0.000000       9.757338 
1 1 1 -26 -3  32 o 31.792  9.4370  187.832    78.069   162.572    95.156   239.846    136.545  27.736  10.423  29.995  12.123  -2.258509      15.98736 
1 1 1 -26 -3  33 o 36.578  8.5275  229.095    74.289   225.285    101.428  233.505    109.113  31.931  10.904  31.668  11.276  0.2627411      15.68555 
1 1 1 -26 -3  34 o 20.597  8.1727  68.734     60.895   37.597     86.959   98.696     85.302   19.301  8.7184  22.844  9.4470  -3.542370      12.85523 
1 1 1 -26 -3  35 o 17.600  8.2930  -3.2811    91.717   175.651    240.838  -33.6329   99.191   23.921  11.774  17.010  8.1819  6.910854       14.33799 
1 1 1 -26 -3  36 o 25.110  10.293  148.885    100.104  -65.7990   254.809  188.065    108.856  20.676  10.450  27.095  10.868  -6.418423      15.07714 
1 1 1 -26 -3  37 o 18.903  7.9021  54.590     60.612   41.318     86.358   67.476     85.092   18.872  8.5892  20.188  8.9023  -1.316378      12.37037 
1 1 1 -26 -3  38 o 27.458  8.9291  151.197    68.161   238.170    100.716  77.701     92.585   30.807  10.847  20.551  9.1614  10.25615       14.19852 
1 1 1 -26 -3  39 o 16.828  7.5556  26.929     64.179   13.288     98.343   37.049     84.703   17.760  8.4332  18.209  8.3695  -0.4488068     11.88138 
1 1 1 -26 -3  40 o 13.621  6.4629  -22.8163   57.543   -20.7073   81.143   -24.9499   81.614   15.563  7.4636  15.447  7.4280  0.1160965      10.52999 
1 1 1 -26 -3  41 o 19.931  8.1176  75.715     61.769   147.154    88.748   8.5962     86.023   24.014  9.7495  16.762  7.9380  7.252766       12.57240 
1 1 1 -26 -3  42 o 14.986  7.0157  -1.7000    63.822   -31.9628   88.338   31.344     92.309   15.444  7.4993  17.742  8.3475  -2.297114      11.22146 
1 1 1 -26 -3  43 o 17.910  8.4503  34.776     95.816   0.0000     0.0000   34.776     95.816   ?       ?       17.910  8.4503  0.000000       8.450310 
1 1 1 -26 -3  44 o 22.582  10.802  209.736    167.600  0.0000     0.0000   209.736    167.600  ?       ?       22.582  10.802  0.000000       10.80231 
1 1 1 -26 -3  45 o 13.014  6.5967  -213.4915  107.013  0.0000     0.0000   -213.4915  107.013  ?       ?       13.014  6.5967  0.000000       6.596700 
1 1 1 -26 -3  46 o 28.689  9.2507  180.582    73.261   244.973    98.840   102.077    109.136  30.018  10.727  20.654  9.4957  9.363977       14.32609 
1 1 1 -26 -3  47 o 22.266  8.3411  102.576    60.846   139.962    74.429   27.245     105.651  24.498  9.2157  17.921  8.5737  6.577000       12.58724 
1 1 1 -26 -3  48 o 13.612  6.4178  -13.7145   55.092   30.589     65.432   -121.6142  102.113  16.627  7.5319  14.086  7.0525  2.541452       10.31831 
1 1 1 -26 -3  49 o 15.035  7.4598  -70.8457   103.819  -591.0998  223.884  71.674     117.180  ?       ?       19.033  9.0849  0.000000       9.084869 
1 1 1 -26 -3  50 o 22.446  10.233  188.706    123.211  418.100    245.070  111.110    142.535  22.355  11.152  19.557  9.5031  2.797548       14.65154 
1 1 1 -26 -2  1  o 40.305  4.4667  215.800    42.949   246.357    64.430   191.365    57.616   41.043  6.7010  35.949  6.8556  5.094223       9.586566 
1 1 1 -26 -2  2  o 10.285  4.7647  -17.7174   28.243   16.239     46.072   -38.1596   35.747   15.846  6.7684  10.481  5.0070  5.364835       8.419095 
1 1 1 -26 -2  3  o 26.996  6.7792  108.525    44.344   156.470    66.814   70.779     59.284   30.847  8.6025  21.768  8.2170  9.079546       11.89631 
1 1 1 -26 -2  4  o 39.972  5.8830  223.482    55.351   301.450    89.057   174.405    70.656   43.277  8.7812  32.552  8.7550  10.72504       12.39998 
1 1 1 -26 -2  5  o 17.430  6.6516  37.523     39.116   10.833     54.540   65.792     56.130   16.415  7.1859  21.295  8.0047  -4.879965      10.75693 
1 1 1 -26 -2  6  f 48.138  4.7892  308.587    55.197   298.939    79.695   317.483    76.522   44.541  7.6498  46.669  6.9713  -2.128723      10.34977 
1 1 1 -26 -2  7  o 24.130  7.0243  87.160     43.618   51.489     63.523   118.981    59.999   20.313  8.2479  27.245  8.3155  -6.931299      11.71217 
1 1 1 -26 -2  8  o 15.862  7.2943  -16.7811   64.452   -28.9091   75.519   15.740     123.664  16.437  7.6744  21.593  9.9919  -5.156076      12.59902 
1 1 1 -26 -2  9  o 61.283  7.1939  548.787    104.938  439.274    132.137  735.812    172.679  48.876  11.358  63.229  11.686  -14.35363      16.29622 
1 1 1 -26 -2  10 o 64.003  7.1187  595.779    108.678  593.242    136.831  600.115    178.865  59.884  9.7526  52.694  13.819  7.190201       16.91367 
1 1 1 -26 -2  11 o 33.007  6.9238  159.699    53.682   212.339    82.573   121.163    70.650   35.580  9.4174  27.001  9.1011  8.579266       13.09643 
1 1 1 -26 -2  12 o 24.496  7.5278  91.414     49.071   79.092     73.207   101.467    66.126   23.033  9.0162  25.121  8.7932  -2.087690      12.59414 
1 1 1 -26 -2  13 o 23.210  7.9487  82.132     53.900   116.019    72.959   41.415     79.974   26.410  9.2368  20.572  8.8551  5.837397       12.79576 
1 1 1 -26 -2  14 o 35.918  7.4668  193.232    62.952   242.855    86.411   137.108    91.897   38.262  9.3800  27.727  10.277  10.53495       13.91436 
1 1 1 -26 -2  15 o 20.181  7.9355  52.877     56.930   33.616     78.462   74.288     82.729   19.997  8.6887  22.896  9.3676  -2.898716      12.77679 
1 1 1 -26 -2  16 o 21.169  9.2769  41.326     91.111   -31.7936   176.242  67.995     106.438  22.529  10.853  23.239  10.109  -0.7100487     14.83181 
1 1 1 -26 -2  17 o 15.827  7.6462  -82.2067   88.976   -264.3854  188.472  -29.9595   100.932  19.040  9.5400  18.610  8.7475  0.4296188      12.94331 
1 1 1 -26 -2  18 o 69.955  8.6486  765.081    143.673  1071.90    294.354  669.124    164.614  57.604  18.540  60.285  11.675  -2.681164      21.90964 
1 1 1 -26 -2  19 o 62.353  5.4496  528.010    81.621   558.462    116.351  498.505    114.530  60.449  8.1395  56.387  8.6468  4.061756       11.87516 
1 1 1 -26 -2  20 o 22.268  8.3386  73.819     60.800   50.942     82.395   101.166    90.087   21.226  9.0584  24.852  9.9154  -3.626276      13.43013 
1 1 1 -26 -2  21 o 25.868  8.5522  108.337    62.432   75.223     84.295   148.572    92.918   22.879  9.4193  28.455  10.369  -5.575874      14.00883 
1 1 1 -26 -2  22 o 58.661  5.6931  473.487    80.013   453.794    111.006  494.781    115.433  53.266  8.9031  55.752  8.8272  -2.485954      12.53732 
1 1 1 -26 -2  23 o 29.298  8.6185  140.896    65.358   221.819    92.795   61.232     92.071   34.988  10.263  22.135  9.5141  12.85269       13.99445 
1 1 1 -26 -2  24 o 49.158  6.2373  342.136    72.723   244.839    101.015  446.821    104.780  36.061  10.742  53.452  8.3521  -17.39095      13.60665 
1 1 1 -26 -2  25 o 35.308  8.0774  196.376    67.700   323.424    93.180   54.322     98.529   44.552  8.9306  21.855  9.6106  22.69691       13.11940 
1 1 1 -26 -2  26 o 24.672  8.6348  100.369    63.765   161.017    87.024   30.061     93.700   29.407  10.099  20.324  9.1270  9.082603       13.61215 
1 1 1 -26 -2  27 o 45.599  6.7180  303.989    72.102   284.446    100.705  324.543    103.279  39.309  10.398  42.645  10.131  -3.336617      14.51756 
1 1 1 -26 -2  28 o 17.356  7.9367  -1.1822    74.848   -15.5487   87.317   38.620     145.337  17.695  8.2585  22.435  10.530  -4.739943      13.38212 
1 1 1 -26 -2  29 o 14.689  7.1517  -85.0679   81.803   -85.0679   81.803   0.0000     0.0000   14.689  7.1517  ?       ?       0.000000       7.151712 
1 1 1 -26 -2  30 o 17.414  8.1714  -18.0676   87.450   -18.0676   87.450   0.0000     0.0000   17.414  8.1714  ?       ?       0.000000       8.171365 
1 1 1 -26 -2  31 o 28.800  10.764  178.790    101.228  178.790    101.228  0.0000     0.0000   28.800  10.764  ?       ?       0.000000       10.76447 
1 1 1 -26 -2  32 o 46.804  6.9666  333.957    76.705   216.302    109.592  446.945    107.396  30.574  11.243  50.980  9.0118  -20.40571      14.40908 
1 1 1 -26 -2  33 o 23.268  8.5098  95.818     62.660   61.982     89.763   127.978    87.510   20.789  9.1564  25.081  9.8461  -4.291710      13.44565 
1 1 1 -26 -2  34 o 11.866  5.9865  -191.8332  81.365   0.0000     0.0000   -191.8332  81.365   ?       ?       11.866  5.9865  0.000000       5.986531 
1 1 1 -26 -2  35 o 16.549  7.8428  -17.6226   84.268   49.989     261.711  -25.4431   89.008   22.168  11.126  16.585  7.9166  5.583124       13.65499 
1 1 1 -26 -2  36 o 31.278  11.209  247.003    107.990  84.627     275.409  276.503    117.391  22.172  11.164  32.166  11.665  -9.994015      16.14703 
1 1 1 -26 -2  37 o 21.938  8.5069  91.400     64.701   41.783     95.750   133.094    87.773   19.107  8.8241  24.228  9.7449  -5.121233      13.14640 
1 1 1 -26 -2  38 o 41.300  7.5375  286.498    72.750   288.543    102.599  284.430    103.171  34.640  10.924  34.156  10.974  0.4838943      15.48452 
1 1 1 -26 -2  39 o 23.673  8.6146  114.230    64.096   86.077     90.904   142.064    90.389   20.625  9.1426  24.024  9.8061  -3.398891      13.40696 
1 1 1 -26 -2  40 o 19.060  7.8666  63.837     58.979   -42.1188   86.250   156.901    80.833   15.162  7.3733  25.680  9.6150  -10.51739      12.11668 
1 1 1 -26 -2  41 o 21.969  8.9434  107.812    74.930   123.103    106.583  92.870     105.362  21.717  9.7446  20.418  9.3662  1.299273       13.51606 
1 1 1 -26 -2  42 o 19.385  8.9054  70.925     95.737   0.0000     0.0000   70.925     95.737   ?       ?       19.385  8.9054  0.000000       8.905398 
1 1 1 -26 -2  43 o 30.012  11.103  265.592    107.155  0.0000     0.0000   265.592    107.155  ?       ?       30.012  11.103  0.000000       11.10315 
1 1 1 -26 -2  44 o 23.678  11.259  264.524    176.511  0.0000     0.0000   264.524    176.511  ?       ?       23.678  11.259  0.000000       11.25914 
1 1 1 -26 -2  45 o 17.380  7.9983  33.842     77.676   63.820     89.671   -56.2618   155.463  19.029  8.6961  17.479  8.7441  1.549562       12.33210 
1 1 1 -26 -2  46 o 11.425  5.5926  -59.8814   52.004   -48.6641   63.524   -82.6755   90.553   13.063  6.3466  14.254  7.0539  -1.191607      9.488737 
1 1 1 -26 -2  47 o 14.933  6.8945  5.9075     58.397   -20.0542   71.352   58.576     101.629  14.710  7.0397  18.870  8.8402  -4.160748      11.30075 
1 1 1 -26 -2  48 o 14.979  7.4141  -69.5129   100.214  -71.8386   200.698  -68.7405   115.665  17.904  9.0712  15.737  7.8194  2.167415       11.97618 
1 1 1 -26 -2  49 o 20.628  9.5094  120.915    110.452  274.245    223.016  71.082     127.140  21.500  10.711  18.903  9.1342  2.596584       14.07717 
1 1 1 -26 -2  50 o 16.440  8.0211  4.6142     104.443  73.356     214.052  -16.8656   119.653  18.624  9.4285  16.369  8.1018  2.254742       12.43128 
1 1 1 -26 -1  1  o 26.274  5.9353  98.960     36.945   74.449     55.967   117.890    49.185   22.039  8.0452  27.750  7.2316  -5.710707      10.81763 
1 1 1 -26 -1  2  o 42.523  4.8982  243.217    49.615   255.776    70.215   230.692    70.118   41.379  7.2580  38.774  7.7242  2.605053       10.59920 
1 1 1 -26 -1  3  o 63.575  6.1118  567.254    93.117   616.510    111.360  452.759    169.782  64.624  7.2255  42.850  14.100  21.77408       15.84370 
1 1 1 -26 -1  4  o 29.462  6.4012  125.656    44.452   117.962    61.628   134.001    64.179   26.931  8.4628  28.611  8.5710  -1.679609      12.04495 
1 1 1 -26 -1  5  o 12.053  5.5276  -16.1558   36.670   27.433     51.863   -59.7337   51.857   17.468  7.3066  12.185  5.8745  5.282412       9.375273 
1 1 1 -26 -1  6  o 64.451  4.4827  545.311    69.667   520.279    101.390  567.700    95.888   59.650  7.1476  63.498  6.3070  -3.847870      9.532381 
1 1 1 -26 -1  7  o 56.747  4.6844  425.795    63.923   468.356    94.011   389.196    87.176   56.863  6.9589  51.569  7.1602  5.294231       9.984731 
1 1 1 -26 -1  8  o 35.423  8.9688  205.092    77.163   126.988    91.299   400.379    144.367  26.860  10.183  43.744  12.792  -16.88388      16.35041 
1 1 1 -26 -1  9  o 18.509  8.0210  23.933     66.517   75.606     78.720   -105.0694  124.380  22.864  9.2172  18.090  8.8101  4.773729       12.75049 
1 1 1 -26 -1  10 o 43.278  6.2564  263.704    63.792   309.798    89.584   216.286    90.861   44.379  8.6301  35.030  10.121  9.349274       13.30095 
1 1 1 -26 -1  11 o 40.443  6.4287  232.278    60.974   278.777    97.464   202.376    78.158   40.305  10.011  35.080  9.1035  5.225094       13.53137 
1 1 1 -26 -1  12 f 15.593  6.6317  14.447     43.886   -40.4654   68.032   53.581     57.433   15.172  7.1469  20.279  7.9717  -5.107555      10.70634 
1 1 1 -26 -1  13 o 14.490  6.5917  -12.4478   50.785   -31.2313   71.972   6.1793     71.672   16.015  7.4821  17.874  8.0077  -1.859629      10.95923 
1 1 1 -26 -1  14 o 26.397  8.4131  111.218    60.728   33.085     82.769   202.323    89.376   20.249  8.8585  33.845  10.109  -13.59649      13.44115 
1 1 1 -26 -1  15 o 16.381  7.8010  -55.6286   85.364   -161.3851  174.924  -22.5693   97.801   19.943  9.8573  18.674  8.7238  1.268696       13.16322 
1 1 1 -26 -1  16 o 49.788  9.7588  411.891    113.676  423.870    210.925  406.988    134.953  37.650  15.119  45.909  11.986  -8.259220      19.29389 
1 1 1 -26 -1  17 o 37.800  10.771  261.337    103.578  110.275    201.660  315.471    120.719  26.608  12.461  40.356  11.668  -13.74729      17.07115 
1 1 1 -26 -1  18 o 24.860  8.4975  98.259     61.599   130.924    85.791   63.498     88.499   27.345  9.9640  22.330  9.4535  5.014431       13.73496 
1 1 1 -26 -1  19 o 20.688  8.1409  57.293     59.955   29.666     81.516   89.849     88.490   19.912  8.7492  24.061  9.7468  -4.148260      13.09766 
1 1 1 -26 -1  20 o 58.208  5.6543  464.528    78.851   429.589    109.942  501.537    113.152  51.642  9.1068  56.754  8.4765  -5.111897      12.44127 
1 1 1 -26 -1  21 o 64.912  5.4880  573.919    85.628   578.638    121.489  569.260    120.707  60.980  8.4369  60.443  8.4625  0.5369644      11.94968 
1 1 1 -26 -1  22 o 13.027  6.2546  -58.0707   57.354   -30.8511   76.375   -93.2723   86.854   16.385  7.6719  15.211  7.3976  1.173680       10.65746 
1 1 1 -26 -1  23 o 24.307  8.5740  94.978     62.950   8.9132     86.038   194.125    92.346   18.989  8.6158  32.366  10.381  -13.37718      13.49045 
1 1 1 -26 -1  24 o 70.753  5.2697  678.515    89.820   643.350    126.831  713.895    127.219  64.179  8.3418  68.574  7.7838  -4.394806      11.40933 
1 1 1 -26 -1  25 o 39.995  7.7643  245.956    72.631   251.964    102.889  239.988    102.542  36.287  10.848  35.238  10.891  1.048470       15.37169 
1 1 1 -26 -1  26 o 30.318  8.4527  151.127    64.516   255.523    91.663   48.636     90.822   38.020  9.8549  21.124  9.2594  16.89586       13.52239 
1 1 1 -26 -1  27 o 24.126  9.4765  98.937     81.106   41.213     95.103   252.886    155.314  20.820  9.2831  31.207  12.809  -10.38677      15.81955 
1 1 1 -26 -1  28 o 20.124  8.8753  39.516     84.608   39.516     84.608   0.0000     0.0000   20.124  8.8753  ?       ?       0.000000       8.875344 
1 1 1 -26 -1  29 o 20.507  9.1537  42.044     92.752   42.044     92.752   0.0000     0.0000   20.507  9.1537  ?       ?       0.000000       9.153747 
1 1 1 -26 -1  30 o 25.129  10.059  121.635    93.041   121.635    93.041   0.0000     0.0000   25.129  10.059  ?       ?       0.000000       10.05910 
1 1 1 -26 -1  31 o 32.521  9.1271  189.788    74.962   245.751    112.922  145.694    100.234  32.752  11.489  26.312  10.471  6.440325       15.54502 
1 1 1 -26 -1  32 o 40.368  7.8076  263.015    73.708   290.136    110.889  241.547    98.658   36.257  11.345  33.871  10.716  2.386551       15.60561 
1 1 1 -26 -1  33 o 41.267  7.5284  272.439    72.604   278.851    108.940  267.315    97.384   35.104  11.277  36.054  10.496  -0.9499168     15.40540 
1 1 1 -26 -1  34 o 25.290  10.369  145.909    101.621  369.379    259.720  105.512    110.425  26.981  13.042  22.840  10.103  4.141205       16.49701 
1 1 1 -26 -1  35 o 25.773  10.462  159.421    102.183  -11.0064   282.151  185.148    109.625  21.553  10.902  26.958  10.874  -5.405394      15.39781 
1 1 1 -26 -1  36 o 26.949  8.7137  139.496    64.968   80.082     93.655   194.607    90.199   21.005  9.2969  29.166  10.266  -8.161144      13.85000 
1 1 1 -26 -1  37 o 17.053  7.5001  31.086     60.029   46.690     89.397   18.273     81.009   19.054  8.6979  17.445  8.0774  1.609364       11.87007 
1 1 1 -26 -1  38 o ?       ?       -236.5736  52.392   -141.0396  74.868   -328.2531  73.342   11.910  5.9737  ?       ?       0.000000       5.973700 
1 1 1 -26 -1  39 o 16.438  7.3629  25.431     60.570   -24.4695   86.623   73.172     84.727   15.804  7.6126  19.843  8.8098  -4.039284      11.64321 
1 1 1 -26 -1  40 o 24.144  8.8096  125.037    67.096   43.544     106.234  179.117    86.541   18.673  8.8369  26.769  9.9633  -8.095984      13.31761 
1 1 1 -26 -1  41 o 11.550  5.8134  -148.0446  74.271   0.0000     0.0000   -148.0446  74.271   ?       ?       11.550  5.8134  0.000000       5.813393 
1 1 1 -26 -1  42 o 15.115  7.2708  -22.6900   78.359   0.0000     0.0000   -22.6900   78.359   ?       ?       15.115  7.2708  0.000000       7.270758 
1 1 1 -26 -1  43 o 23.495  11.223  261.872    179.474  0.0000     0.0000   261.872    179.474  ?       ?       23.495  11.223  0.000000       11.22257 
1 1 1 -26 -1  44 o 15.520  7.4192  -11.8337   78.763   -28.3983   95.949   22.390     137.915  15.926  7.7520  18.476  9.0572  -2.550255      11.92163 
1 1 1 -26 -1  45 o 25.459  8.5619  134.098    62.526   39.595     86.908   235.498    90.024   17.942  8.3283  30.906  10.272  -12.96408      13.22406 
1 1 1 -26 -1  46 o 16.380  7.2102  31.892     55.579   48.682     72.483   7.9338     86.586   18.001  8.0593  16.656  7.9101  1.344360       11.29260 
1 1 1 -26 -1  47 o 17.101  7.3720  43.040     55.598   121.856    74.502   -56.0205   83.524   22.817  9.0441  14.370  7.0453  8.446443       11.46443 
1 1 1 -26 -1  48 o 19.388  8.9960  80.720     101.245  649.530    244.940  -36.4898   111.188  27.144  13.004  16.139  7.9551  11.00462       15.24458 
1 1 1 -26 -1  49 o 16.260  7.8642  2.4610     94.749   -29.6164   240.069  8.3795     103.121  ?       ?       16.697  8.1063  0.000000       8.106301 
1 1 1 -26 0   1  o 11.606  5.1958  -6.1554    30.117   -15.7352   46.791   0.6207     39.353   13.616  6.2444  13.704  6.0480  -0.8832836E-01 8.693152 
1 1 1 -26 0   2  o 34.423  5.7752  165.888    46.529   156.891    66.249   174.646    65.362   30.984  8.5383  33.162  8.1752  -2.177608      11.82105 
1 1 1 -26 0   3  o 16.047  6.5918  23.396     41.171   53.577     64.343   2.4736     53.574   20.440  8.3004  15.714  6.9895  4.726625       10.85127 
1 1 1 -26 0   4  o 25.996  7.3858  103.365    48.776   116.008    74.011   93.657     64.853   26.188  9.2905  24.191  8.6844  1.997261       12.71738 
1 1 1 -26 0   5  o 19.662  7.2220  53.388     45.199   -20.0318   69.330   107.662    59.609   16.196  7.4898  25.919  8.3431  -9.723150      11.21178 
1 1 1 -26 0   6  o 12.749  5.7799  -11.2395   38.628   -71.5265   59.125   33.658     51.023   12.768  6.1845  17.981  7.3567  -5.212296      9.610869 
1 1 1 -26 0   7  o 31.293  9.3657  166.287    76.659   128.593    92.915   246.646    135.665  26.945  10.259  33.417  12.467  -6.472115      16.14567 
1 1 1 -26 0   8  o 38.983  8.9298  245.380    82.651   268.193    99.157   193.450    149.603  38.996  10.319  29.751  12.424  9.244720       16.15049 
1 1 1 -26 0   9  o 20.768  7.6045  61.144     50.059   24.422     84.963   80.669     61.954   19.886  8.8258  23.027  8.4557  -3.141171      12.22262 
1 1 1 -26 0   10 o 30.094  7.4218  136.813    53.856   133.163    83.045   139.462    70.750   27.688  9.8392  28.957  9.0623  -1.268738      13.37663 
1 1 1 -26 0   11 o 11.623  5.5201  -39.5796   42.178   7.4500     66.533   -71.1796   54.537   17.480  7.7813  12.164  5.9031  5.316591       9.767070 
1 1 1 -26 0   12 o 19.865  7.7621  50.868     54.183   86.066     77.683   17.523     75.610   23.703  9.2853  18.853  8.3486  4.849953       12.48660 
1 1 1 -26 0   13 o 19.762  7.7413  49.911     53.995   37.248     75.813   62.946     76.921   20.073  8.6308  21.901  9.0050  -1.827892      12.47323 
1 1 1 -26 0   14 o 18.304  8.4378  -11.1930   86.960   2.8361     164.871  -16.6000   102.355  22.999  10.920  19.241  8.9671  3.757236       14.13006 
1 1 1 -26 0   15 o 18.547  8.4648  -1.7240    84.619   -72.9975   172.288  20.935     97.144   21.496  10.446  20.488  9.2383  1.008310       13.94499 
1 1 1 -26 0   16 o 25.983  10.199  115.167    93.889   175.520    187.395  94.940     108.488  28.555  12.858  24.772  10.476  3.782843       16.58491 
1 1 1 -26 0   17 o 38.724  7.4621  223.851    67.572   200.161    92.916   250.445    98.446   33.239  10.382  37.417  10.445  -4.177738      14.72716 
1 1 1 -26 0   18 o 47.003  6.4153  312.986    71.255   314.700    99.605   311.189    101.977  43.305  9.7180  42.622  10.028  0.6830788      13.96429 
1 1 1 -26 0   19 o 38.589  7.6609  225.046    69.200   167.511    96.932   284.849    98.824   29.927  10.631  40.550  10.086  -10.62328      14.65374 
1 1 1 -26 0   20 o 20.990  8.2825  59.955     62.222   157.617    84.636   -54.9134   91.790   29.730  9.9616  16.931  8.0700  12.79878       12.82022 
1 1 1 -26 0   21 o 18.792  7.9438  33.493     62.340   48.430     84.173   15.345     92.779   21.101  9.0838  19.817  8.9735  1.284365       12.76864 
1 1 1 -26 0   22 o 30.531  8.6423  152.640    66.913   76.203     90.487   244.873    99.398   23.026  9.6430  36.426  10.604  -13.40022      14.33270 
1 1 1 -26 0   23 o 15.339  7.0513  -16.0621   60.152   -101.7008  82.255   82.380     88.189   14.468  7.0715  23.316  9.6209  -8.847954      11.94016 
1 1 1 -26 0   24 o 46.891  6.8339  320.639    75.469   364.935    104.996  273.293    108.552  46.450  9.6319  37.569  11.122  8.880833       14.71334 
1 1 1 -26 0   25 o 20.236  8.2315  53.187     63.413   20.890     84.142   95.648     96.477   19.325  8.6655  24.122  10.017  -4.797230      13.24501 
1 1 1 -26 0   26 o 17.376  7.7029  13.343     64.540   -63.2709   86.851   107.824    96.449   15.980  7.6789  24.789  10.125  -8.809410      12.70774 
1 1 1 -26 0   27 o 28.265  10.732  161.075    101.512  161.075    101.512  0.0000     0.0000   28.265  10.732  ?       ?       0.000000       10.73240 
1 1 1 -26 0   28 o 24.244  10.077  104.386    97.749   104.386    97.749   0.0000     0.0000   24.244  10.077  ?       ?       0.000000       10.07653 
1 1 1 -26 0   29 o 32.566  11.262  229.362    108.305  229.362    108.305  0.0000     0.0000   32.566  11.262  ?       ?       0.000000       11.26162 
1 1 1 -26 0   30 o 21.757  8.6336  76.146     67.962   109.650    97.904   44.986     94.416   24.145  10.064  20.485  9.1830  3.659903       13.62386 
1 1 1 -26 0   31 o 47.227  7.5863  351.713    83.989   299.158    114.069  413.941    124.123  36.772  11.507  44.698  11.407  -7.925861      16.20243 
1 1 1 -26 0   32 o 26.489  8.8160  128.538    66.304   122.800    100.433  132.970    88.275   24.370  10.178  25.470  9.9199  -1.100561      14.21281 
1 1 1 -26 0   33 o 19.443  8.8752  36.275     93.075   63.559     265.016  32.436     99.408   22.796  11.406  19.517  9.0057  3.278557       14.53252 
1 1 1 -26 0   34 o 18.088  8.4161  12.894     89.593   -186.7059  246.444  43.291     96.173   19.672  9.9759  19.654  8.9909  0.1815033E-01  13.42962 
1 1 1 -26 0   35 o 20.860  9.3190  74.120     96.341   129.170    256.448  65.074     103.956  22.691  11.333  20.547  9.3794  2.143929       14.71097 
1 1 1 -26 0   36 o 12.079  5.9131  -69.9752   58.191   -139.8566  89.183   -18.1667   76.789   13.342  6.6667  15.743  7.4685  -2.401183      10.01116 
1 1 1 -26 0   37 o 25.473  8.8561  131.752    67.022   227.355    96.968   44.304     92.740   30.370  10.647  18.930  8.7219  11.43929       13.76348 
1 1 1 -26 0   38 f 17.162  7.5684  34.954     61.518   177.882    90.963   -85.5232   83.514   26.660  10.151  13.904  6.8608  12.75599       12.25177 
1 1 1 -26 0   39 o 17.703  7.8020  43.440     65.269   150.472    104.428  -25.1770   83.613   23.437  10.104  15.538  7.4830  7.899979       12.57285 
1 1 1 -26 0   40 o 15.162  7.2753  -21.6437   77.320   0.0000     0.0000   -21.6437   77.320   ?       ?       15.162  7.2753  0.000000       7.275302 
1 1 1 -26 0   41 f 21.935  9.4817  120.759    92.471   0.0000     0.0000   120.759    92.471   ?       ?       21.935  9.4817  0.000000       9.481666 
1 1 1 -26 0   42 o 22.492  9.4362  126.696    86.899   72.762     479.078  128.531    88.364   ?       ?       22.532  9.4873  0.000000       9.487338 
1 1 1 -26 0   43 o 14.458  7.0160  -39.4859   77.013   38.528     88.780   -276.6802  154.803  17.884  8.3401  ?       ?       0.000000       8.340106 
1 1 1 -26 0   44 o 11.709  5.8051  -88.6150   62.389   -47.3033   68.739   -281.7207  148.615  13.573  6.5963  ?       ?       0.000000       6.596270 
1 1 1 -26 0   45 o 11.089  5.4600  -69.6359   51.947   -50.4990   69.685   -93.5713   77.933   13.560  6.6019  13.053  6.4744  0.5072775      9.246721 
1 1 1 -26 0   46 o 12.453  5.9908  -36.2928   53.229   49.380     68.807   -163.9780  84.001   17.918  7.9478  12.083  6.0944  5.834743       10.01542 
1 1 1 -26 0   47 o 14.439  7.0551  -47.2314   81.659   -426.7726  226.727  9.3406     87.534   ?       ?       16.569  7.8929  0.000000       7.892871 
1 1 1 -26 0   48 o 14.438  7.1196  -59.7039   89.376   -340.2750  229.412  -9.4991    97.044   ?       ?       16.143  7.8436  0.000000       7.843564 
1 1 1 -26 0   49 o 23.393  10.159  190.217    107.140  401.852    258.029  146.128    117.773  21.523  10.834  20.845  9.6825  0.6779671      14.52995 
1 1 1 -26 1   1  o 41.118  5.2692  230.887    51.361   272.583    79.383   200.866    67.359   41.778  8.1235  35.877  7.9472  5.901623       11.36436 
1 1 1 -26 1   2  o 78.607  4.4539  811.719    84.601   920.629    122.385  712.050    117.078  80.744  6.2965  69.845  7.0027  10.89931       9.417255 
1 1 1 -26 1   3  o 21.356  7.2261  67.431     44.540   11.343     70.565   104.576    57.424   17.945  7.9991  25.600  8.1834  -7.654333      11.44347 
1 1 1 -26 1   4  o 13.160  5.9862  -12.5112   41.870   -13.5933   66.896   -11.8143   53.687   16.254  7.4588  14.847  6.7631  1.407255       10.06844 
1 1 1 -26 1   5  o 64.246  4.6054  544.067    71.316   570.969    102.435  518.762    99.347   62.986  6.8110  59.798  6.9783  3.188095       9.751287 
1 1 1 -26 1   6  o 46.416  8.2347  332.560    89.346   344.084    109.086  309.075    155.727  44.476  10.310  35.829  13.359  8.646679       16.87473 
1 1 1 -26 1   7  o 20.940  8.6371  54.156     71.040   90.756     84.422   -34.6301   131.489  24.092  9.6028  20.391  9.7026  3.700556       13.65114 
1 1 1 -26 1   8  o 23.107  7.7470  81.054     51.188   24.818     88.029   109.783    62.919   20.094  8.9472  26.104  8.5833  -6.010643      12.39861 
1 1 1 -26 1   9  o 31.217  7.2594  145.683    53.947   233.944    82.073   78.543     71.583   37.914  9.0474  22.959  8.9354  14.95526       12.71601 
1 1 1 -26 1   10 o 40.354  6.1844  228.854    58.624   257.358    89.292   207.259    77.721   39.347  9.4676  35.661  8.9858  3.685089       13.05296 
1 1 1 -26 1   11 o 12.856  6.1241  -48.0796   52.695   -75.5863   81.073   -27.9585   69.340   15.266  7.3562  15.885  7.3953  -0.6184635     10.43096 
1 1 1 -26 1   12 o 19.602  7.9681  44.821     59.368   13.842     90.570   68.160     78.613   19.738  8.9083  22.343  9.1355  -2.605198      12.75991 
1 1 1 -26 1   13 o 16.801  7.4198  7.8146     59.331   -100.3110  78.711   150.092    90.290   14.236  6.9495  28.905  10.261  -14.66936      12.39261 
1 1 1 -26 1   14 o 18.904  8.5091  9.6111     81.988   292.520    169.615  -76.6472   93.657   34.124  13.608  16.453  7.9230  17.67045       15.74671 
1 1 1 -26 1   15 o 37.908  10.480  256.801    99.621   460.002    188.054  177.531    117.456  41.942  14.817  29.864  11.495  12.07813       18.75272 
1 1 1 -26 1   16 o 43.307  8.9143  300.025    90.550   116.107    198.094  348.604    101.809  26.737  12.465  46.128  9.4148  -19.39108      15.62102 
1 1 1 -26 1   17 o 23.341  8.4511  83.952     61.575   114.050    85.952   52.221     88.253   25.928  9.8683  21.629  9.3062  4.299042       13.56423 
1 1 1 -26 1   18 o 14.876  6.8753  -21.9931   58.287   -78.4326   80.238   41.066     84.813   15.052  7.2689  20.772  9.0295  -5.720213      11.59178 
1 1 1 -26 1   19 o 61.492  5.5352  515.689    81.703   444.928    114.187  589.919    116.954  52.224  9.3548  62.461  7.8931  -10.23732      12.23983 
1 1 1 -26 1   20 o 70.756  5.3256  677.168    90.762   621.572    128.145  733.134    128.570  62.923  8.6198  69.901  7.7086  -6.978249      11.56383 
1 1 1 -26 1   21 o 15.669  7.1517  -11.2243   60.409   -32.9697   82.834   13.479     88.288   16.906  7.9395  19.411  8.7749  -2.504763      11.83362 
1 1 1 -26 1   22 o 23.181  8.7860  83.851     67.954   153.766    94.432   8.7648     97.862   28.657  10.452  19.768  9.0526  8.889353       13.82727 
1 1 1 -26 1   23 o 66.580  5.5994  609.117    89.619   646.255    126.545  571.748    126.938  64.412  8.2892  59.283  9.1168  5.129128       12.32176 
1 1 1 -26 1   24 o 47.913  6.9317  336.758    78.243   341.376    108.298  331.716    113.167  43.684  10.372  42.011  10.980  1.673431       15.10395 
1 1 1 -26 1   25 o 27.006  8.9306  124.475    68.079   157.549    95.284   89.984     97.303   28.559  10.486  23.712  9.9685  4.847042       14.46848 
1 1 1 -26 1   26 o 14.803  7.2228  -94.0202   84.716   -94.0202   84.716   0.0000     0.0000   14.803  7.2228  ?       ?       0.000000       7.222793 
1 1 1 -26 1   27 o 25.914  10.480  129.601    102.104  129.601    102.104  0.0000     0.0000   25.914  10.480  ?       ?       0.000000       10.47955 
1 1 1 -26 1   28 o 18.496  8.5862  -1.4890    92.408   -1.4890    92.408   0.0000     0.0000   18.496  8.5862  ?       ?       0.000000       8.586246 
1 1 1 -26 1   29 o 23.974  8.7732  99.489     66.613   42.247     94.001   157.230    94.410   20.413  9.1560  27.751  10.391  -7.337904      13.84947 
1 1 1 -26 1   30 o 28.512  8.9300  146.142    68.685   222.994    104.452  87.596     91.168   31.897  11.058  22.650  9.5922  9.247160       14.63846 
1 1 1 -26 1   31 o 50.896  6.5098  385.907    78.550   478.207    118.517  313.600    104.898  51.028  9.9295  39.450  10.692  11.57746       14.59131 
1 1 1 -26 1   32 o 37.084  8.2027  231.573    71.852   276.611    108.867  196.814    95.642   34.919  11.279  29.901  10.566  5.018085       15.45486 
1 1 1 -26 1   33 o 21.382  9.3093  78.213     90.433   164.563    270.058  67.307     95.973   23.771  11.834  20.881  9.3167  2.889690       15.06102 
1 1 1 -26 1   34 o 37.342  11.398  325.697    112.718  282.906    272.004  334.569    123.852  24.776  12.254  35.890  12.050  -11.11426      17.18651 
1 1 1 -26 1   35 o 28.736  8.9171  160.142    68.666   33.426     103.785  258.793    91.573   19.150  8.9592  34.952  10.179  -15.80211      13.55995 
1 1 1 -26 1   36 o 19.305  8.1545  60.424     65.614   56.842     98.771   63.254     87.782   19.715  9.0529  19.824  8.8729  -0.1085529     12.67611 
1 1 1 -26 1   37 o 17.223  7.6404  33.306     63.602   11.752     91.353   53.582     88.603   17.467  8.2443  19.128  8.7037  -1.661295      11.98845 
1 1 1 -26 1   38 o 21.363  8.3319  89.967     62.340   19.880     92.307   148.739    84.528   17.618  8.3070  24.816  9.6955  -7.197760      12.76746 
1 1 1 -26 1   39 o 21.008  9.1386  98.096     86.997   0.0000     0.0000   98.096     86.997   ?       ?       21.008  9.1386  0.000000       9.138565 
1 1 1 -26 1   40 o 26.471  10.173  186.837    91.906   0.0000     0.0000   186.837    91.906   ?       ?       26.471  10.173  0.000000       10.17338 
1 1 1 -26 1   41 o 14.558  7.0744  -41.0187   79.019   -379.7549  465.677  -30.9762   80.182   ?       ?       14.954  7.2330  0.000000       7.233001 
1 1 1 -26 1   42 o 12.951  6.4076  -84.9479   74.553   -85.7559   85.941   -82.4909   149.864  13.827  6.8479  16.890  8.4693  -3.063061      10.89135 
1 1 1 -26 1   43 o 18.062  8.1005  49.801     73.554   -22.0434   81.972   346.681    166.634  15.356  7.3988  26.812  12.094  -11.45597      14.17746 
1 1 1 -26 1   44 o 18.644  7.7844  60.811     58.716   85.989     77.635   27.159     89.752   20.282  8.7275  17.518  8.2387  2.764542       12.00187 
1 1 1 -26 1   45 o 16.801  7.3179  37.690     55.932   46.050     75.266   27.380     83.586   17.917  8.1006  17.292  8.0736  0.6253910      11.43690 
1 1 1 -26 1   46 o 23.054  8.2770  109.663    58.911   65.552     80.922   159.403    85.930   18.909  8.4873  24.730  9.7414  -5.821045      12.92006 
1 1 1 -26 1   47 o 23.752  10.212  177.940    106.124  -38.2790   251.003  225.004    117.106  ?       ?       25.331  10.804  0.000000       10.80446 
1 1 1 -26 1   48 o 19.291  8.8083  86.058     91.755   -441.5711  244.509  172.537    98.989   ?       ?       23.452  9.9666  0.000000       9.966627 
1 1 1 -26 2   1  o 30.808  7.8309  148.648    58.664   327.634    146.027  114.202    64.061   37.253  13.065  26.267  8.6620  10.98521       15.67600 
1 1 1 -26 2   2  o 40.626  5.4133  226.243    52.034   285.836    74.260   168.765    72.931   43.910  7.2210  31.684  9.0415  12.22574       11.57116 
1 1 1 -26 2   3  o 21.030  7.1294  64.854     43.357   35.988     62.083   92.336     60.577   18.939  7.9623  24.111  8.4175  -5.171822      11.58672 
1 1 1 -26 2   4  o 49.979  4.9455  334.316    59.188   375.372    83.618   293.091    83.790   50.796  6.9679  43.421  8.2547  7.374420       10.80241 
1 1 1 -26 2   5  o 27.153  9.5631  126.859    78.282   134.452    93.233   108.715    144.128  27.331  10.308  25.767  11.462  1.564693       15.41543 
1 1 1 -26 2   6  o 20.737  8.6280  51.166     71.777   42.612     85.282   71.941     132.909  20.881  9.0657  24.108  10.844  -3.226538      14.13454 
1 1 1 -26 2   7  o 57.258  5.2923  442.764    72.695   340.077    119.765  502.666    91.473   42.542  11.380  59.657  6.4204  -17.11455      13.06634 
1 1 1 -26 2   8  o 64.500  4.7529  550.182    73.860   590.876    107.307  513.546    101.817  63.855  7.0429  59.258  7.2312  4.597160       10.09416 
1 1 1 -26 2   9  o 37.736  6.4672  203.084    57.085   195.195    87.730   208.876    75.176   33.275  10.033  36.132  8.6827  -2.857372      13.26826 
1 1 1 -26 2   10 o 16.861  7.2202  18.179     52.670   -67.6317   80.805   81.569     69.451   15.502  7.4381  23.194  8.8603  -7.691747      11.56856 
1 1 1 -26 2   11 o 15.425  6.9224  -3.7109    53.806   21.014     81.986   -22.4174   71.313   19.509  8.6635  16.351  7.5736  3.158489       11.50720 
1 1 1 -26 2   12 o 24.426  8.5017  93.962     61.774   87.128     81.912   102.976    94.066   23.837  9.4723  25.123  10.094  -1.285473      13.84242 
1 1 1 -26 2   13 o 21.972  9.5987  50.756     96.867   0.0000     0.0000   50.756     96.867   ?       ?       21.972  9.5987  0.000000       9.598680 
1 1 1 -26 2   14 o 16.998  7.9446  -29.6425   81.277   196.427    168.850  -97.8208   92.727   29.549  12.792  15.728  7.6478  13.82027       14.90416 
1 1 1 -26 2   15 o 27.747  10.112  136.291    88.361   -14.9633   179.476  184.683    101.517  23.016  11.054  31.181  10.896  -8.165049      15.52167 
1 1 1 -26 2   16 f 64.547  5.4300  564.797    84.252   526.194    116.451  607.199    122.047  58.203  8.4962  63.038  8.1715  -4.834862      11.78808 
1 1 1 -26 2   17 o 59.201  5.5827  478.628    79.245   481.144    108.213  475.718    116.370  56.000  8.2076  54.383  9.1433  1.616734       12.28678 
1 1 1 -26 2   18 o 13.674  6.5106  -49.7622   59.393   -64.3144   81.067   -32.9008   87.262   15.603  7.4770  17.356  8.1502  -1.752870      11.06036 
1 1 1 -26 2   19 o 30.372  8.7205  151.144    67.644   212.251    93.841   85.051     97.594   34.118  10.396  23.833  9.9996  10.28476       14.42491 
1 1 1 -26 2   20 o 50.917  6.4436  368.803    77.827   424.892    108.364  309.050    111.847  51.355  9.0258  40.685  11.046  10.66954       14.26448 
1 1 1 -26 2   21 o 15.774  7.2477  -15.1774   63.447   -56.4988   87.494   30.650     92.142   16.428  7.8437  20.470  9.1313  -4.041756      12.03762 
1 1 1 -26 2   22 o 34.386  8.7968  194.366    73.694   111.196    103.319  280.500    105.144  25.315  10.426  38.811  10.780  -13.49606      14.99704 
1 1 1 -26 2   23 o 38.316  8.2357  231.995    74.288   314.940    101.731  137.231    108.737  42.388  10.045  26.818  10.825  15.56997       14.76767 
1 1 1 -26 2   24 o 19.695  8.2589  44.511     66.519   -26.6612   89.543   132.158    99.367   17.567  8.2513  26.528  10.467  -8.961241      13.32831 
1 1 1 -26 2   25 o 45.537  9.9096  362.169    106.381  381.346    126.457  315.741    196.763  43.642  11.702  31.943  13.819  11.69960       18.10811 
1 1 1 -26 2   26 o 17.455  8.2459  -30.4306   91.751   -30.4306   91.751   0.0000     0.0000   17.455  8.2459  ?       ?       0.000000       8.245898 
1 1 1 -26 2   27 o 19.303  8.8705  12.742     95.077   12.742     95.077   0.0000     0.0000   19.303  8.8705  ?       ?       0.000000       8.870487 
1 1 1 -26 2   28 o 29.766  9.1774  158.952    72.866   116.440    99.290   208.570    107.267  24.755  10.211  30.945  11.162  -6.190189      15.12783 
1 1 1 -26 2   29 o 18.398  8.0662  30.252     68.955   -37.7564   108.200  76.764     89.480   17.997  8.6275  22.051  9.4259  -4.054533      12.77818 
1 1 1 -26 2   30 o 27.970  9.2828  146.975    73.529   179.770    116.198  125.074    94.958   27.573  11.169  24.894  10.092  2.678734       15.05355 
1 1 1 -26 2   31 o 14.602  6.9372  -35.5786   66.724   35.965     107.618  -80.2544   85.042   20.136  9.3188  14.797  7.2235  5.338819       11.79065 
1 1 1 -26 2   32 o 15.149  7.3797  -71.3481   87.449   151.600    269.879  -97.5029   92.436   23.795  11.843  14.851  7.3070  8.943766       13.91568 
1 1 1 -26 2   33 o 17.242  8.1444  -7.8750    89.474   -53.9885   263.947  -1.8881    95.104   21.125  10.673  17.777  8.3969  3.348324       13.58000 
1 1 1 -26 2   34 o 17.703  7.7052  36.265     61.916   54.280     90.913   20.680     84.556   19.763  8.9218  17.970  8.2966  1.792856       12.18328 
1 1 1 -26 2   35 o 16.657  7.4752  21.439     62.750   -117.3884  96.192   124.282    82.792   14.342  7.1271  23.837  9.5070  -9.495390      11.88189 
1 1 1 -26 2   36 o 30.923  8.8145  185.220    69.356   150.721    100.928  216.087    95.466   24.308  10.182  29.580  10.545  -5.271860      14.65888 
1 1 1 -26 2   37 o 15.810  7.2581  10.480     63.442   33.189     91.560   -10.4919   87.988   18.186  8.4771  16.403  7.8412  1.782873       11.54758 
1 1 1 -26 2   38 o 18.918  8.5482  57.984     83.682   0.0000     0.0000   57.984     83.682   ?       ?       18.918  8.5482  0.000000       8.548248 
1 1 1 -26 2   39 o 24.246  9.7949  151.903    89.100   0.0000     0.0000   151.903    89.100   ?       ?       24.246  9.7949  0.000000       9.794909 
1 1 1 -26 2   40 o 17.923  8.2452  42.637     82.458   0.0000     0.0000   42.637     82.458   ?       ?       17.923  8.2452  0.000000       8.245237 
1 1 1 -26 2   41 o 16.832  7.6654  30.225     68.914   15.400     103.980  41.838     92.030   17.484  8.4020  18.074  8.4497  -0.5897713     11.91605 
1 1 1 -26 2   42 o 15.557  7.3908  -5.6098    75.732   -68.1340   85.773   215.522    161.305  14.247  7.0154  22.951  10.870  -8.704570      12.93687 
1 1 1 -26 2   43 f 20.978  8.8723  97.334     77.831   89.303     87.083   129.221    173.521  20.294  8.9744  20.818  10.196  -0.5244942     13.58281 
1 1 1 -26 2   44 o 15.025  6.8806  9.3514     56.526   45.045     74.206   -39.9904   87.247   17.849  8.0590  15.142  7.3752  2.707100       10.92433 
1 1 1 -26 2   45 o 12.207  5.9054  -42.9692   53.523   -59.2234   69.621   -19.4819   83.691   13.234  6.4765  15.508  7.4732  -2.274105      9.889045 
1 1 1 -26 2   46 o 16.275  7.7739  3.3061     86.124   -56.4773   231.798  12.881     92.765   ?       ?       16.864  8.0588  0.000000       8.058829 
1 1 1 -26 2   47 o 20.133  9.2171  104.345    101.337  81.008     263.855  108.383    109.754  ?       ?       20.143  9.3533  0.000000       9.353274 
1 1 1 -26 2   48 o 13.006  6.4643  -82.5808   79.232   -267.8726  227.263  -56.9432   84.536   ?       ?       13.982  6.9001  0.000000       6.900066 
1 1 1 -26 3   1  o 58.229  8.6892  539.602    119.011  488.243    241.215  556.127    136.823  36.613  15.559  56.431  10.375  -19.81759      18.70072 
1 1 1 -26 3   2  o 40.992  5.5401  231.443    53.692   198.276    76.052   264.402    75.812   34.571  8.9842  41.598  7.7975  -7.027473      11.89605 
1 1 1 -26 3   3  o 13.078  5.8989  -8.6730    39.643   -74.9032   56.583   55.178     55.558   12.269  5.9678  20.226  7.8719  -7.957092      9.878371 
1 1 1 -26 3   4  o 13.791  6.6350  -65.1937   65.328   -38.9144   75.101   -146.9095  132.433  15.935  7.5073  17.626  8.6865  -1.690261      11.48105 
1 1 1 -26 3   5  o 33.144  10.595  204.060    96.252   204.060    96.252   0.0000     0.0000   33.144  10.595  ?       ?       0.000000       10.59464 
1 1 1 -26 3   6  o 34.298  7.5618  178.127    61.237   158.978    94.625   191.925    80.326   29.323  10.494  33.611  9.4532  -4.287422      14.12398 
1 1 1 -26 3   7  o 35.868  6.9034  187.849    57.900   117.811    79.424   267.285    84.585   26.343  9.5889  40.903  8.7849  -14.56015      13.00467 
1 1 1 -26 3   8  o 39.113  6.2186  215.762    57.041   204.296    84.552   225.339    77.275   34.489  9.6982  37.601  8.6499  -3.112022      12.99522 
1 1 1 -26 3   9  o 43.284  6.0766  261.917    62.061   235.237    88.317   287.944    87.228   37.207  9.6876  42.608  8.7307  -5.401760      13.04124 
1 1 1 -26 3   10 o 64.152  5.1280  551.457    79.155   530.008    115.253  570.606    108.901  58.686  8.3274  62.333  7.3410  -3.647427      11.10116 
1 1 1 -26 3   11 o 90.875  4.6956  1087.73    103.184  1026.85    148.345  1144.78    143.618  83.622  7.3872  89.800  6.6384  -6.177856      9.931670 
1 1 1 -26 3   12 o 90.274  7.3138  1192.29    158.826  1315.84    311.261  1148.80    184.678  66.893  18.537  84.790  9.1199  -17.89661      20.65855 
1 1 1 -26 3   13 o 67.497  7.7178  680.505    124.126  743.830    236.452  656.416    145.836  51.193  16.630  62.788  9.9005  -11.59452      19.35396 
1 1 1 -26 3   14 o 43.956  9.7712  324.551    101.515  744.567    203.095  184.667    117.206  57.782  14.507  30.311  11.527  27.47055       18.52894 
1 1 1 -26 3   15 o 40.875  6.9545  243.216    66.504   129.055    93.257   361.346    94.865   26.988  10.277  48.230  8.4122  -21.24144      13.28119 
1 1 1 -26 3   16 o 46.985  6.4184  313.042    71.259   352.029    98.010   269.323    103.788  46.910  8.9372  38.408  10.725  8.501465       13.96097 
1 1 1 -26 3   17 o 28.017  8.6922  128.519    65.249   167.069    88.445   82.481     96.654   30.379  10.183  23.691  9.9461  6.688114       14.23454 
1 1 1 -26 3   18 o 16.536  7.3588  4.5835     59.457   9.3345     78.677   -1.7423    90.786   18.540  8.3413  18.917  8.6839  -0.3774052     12.04103 
1 1 1 -26 3   19 o 14.904  6.9066  -23.2766   59.401   -25.2571   79.537   -20.7788   89.322   16.933  7.8959  17.964  8.3736  -1.031116      11.50919 
1 1 1 -26 3   20 o 14.921  6.9394  -25.8666   60.799   -103.8750  81.669   71.119     91.062   14.363  7.0258  22.706  9.5997  -8.343579      11.89606 
1 1 1 -26 3   21 o 37.955  8.2533  227.119    73.842   244.269    102.121  208.326    106.901  35.891  10.825  32.269  11.187  3.622490       15.56676 
1 1 1 -26 3   22 o 20.121  8.2814  50.102     65.137   160.357    86.799   -92.0257   98.550   29.505  10.087  16.235  7.8917  13.27051       12.80735 
1 1 1 -26 3   23 o 18.206  7.9112  24.714     65.057   163.312    86.988   -151.1995  98.001   29.648  10.098  14.687  7.2807  14.96070       12.44919 
1 1 1 -26 3   24 o 22.349  9.2120  74.443     80.747   76.924     91.330   65.560     172.807  22.750  9.6157  24.050  11.347  -1.300014      14.87373 
1 1 1 -26 3   25 o 24.717  10.307  109.186    102.771  109.186    102.771  0.0000     0.0000   24.717  10.307  ?       ?       0.000000       10.30746 
1 1 1 -26 3   26 o 41.729  11.574  355.089    121.295  355.089    121.295  0.0000     0.0000   41.729  11.574  ?       ?       0.000000       11.57429 
1 1 1 -26 3   27 o 32.753  9.8574  200.496    84.746   134.300    110.855  293.588    131.461  25.741  10.717  34.876  12.381  -9.134989      16.37528 
1 1 1 -26 3   28 o 27.587  9.5894  144.167    78.579   105.878    108.855  185.829    113.549  23.915  10.312  28.588  11.218  -4.673029      15.23778 
1 1 1 -26 3   29 o 27.562  9.2656  141.967    73.226   161.258    116.730  129.450    94.027   26.555  11.022  25.311  10.119  1.243876       14.96289 
1 1 1 -26 3   30 o 41.937  8.0692  288.978    79.129   282.229    122.276  293.841    103.793  33.740  11.944  37.691  10.796  -3.951767      16.10070 
1 1 1 -26 3   31 o 25.343  10.325  141.962    99.955   104.037    294.376  146.905    106.269  23.413  11.758  25.404  10.528  -1.991182      15.78238 
1 1 1 -26 3   32 o 13.612  6.7459  -116.0305  83.949   46.915     285.522  -131.4498  87.831   22.393  11.287  13.606  6.7691  8.787261       13.16143 
1 1 1 -26 3   33 o 20.944  9.2970  75.212     94.324   -201.2071  298.301  105.920    99.425   ?       ?       22.565  9.7926  0.000000       9.792561 
1 1 1 -26 3   34 o 15.467  7.1649  -2.4439    63.836   7.5689     101.314  -9.0361    82.207   18.086  8.5796  16.493  7.7954  1.593418       11.59217 
1 1 1 -26 3   35 o 10.717  5.3613  -117.1629  58.476   -31.8904   87.145   -187.0063  78.868   15.853  7.6361  11.482  5.8038  4.371536       9.591337 
1 1 1 -26 3   36 o 21.860  8.4672  94.479     64.042   112.340    96.835   80.593     85.381   22.032  9.6117  20.429  8.9657  1.603081       13.14416 
1 1 1 -26 3   37 o 12.972  6.4392  -100.6632  77.686   0.0000     0.0000   -100.6632  77.686   ?       ?       12.972  6.4392  0.000000       6.439155 
1 1 1 -26 3   38 o 19.931  8.7563  79.125     81.624   0.0000     0.0000   79.125     81.624   ?       ?       19.931  8.7563  0.000000       8.756327 
1 1 1 -26 3   39 o 14.378  6.9738  -39.9276   75.834   0.0000     0.0000   -39.9276   75.834   ?       ?       14.378  6.9738  0.000000       6.973825 
1 1 1 -26 3   40 o 32.515  8.8472  213.686    71.659   173.907    108.365  244.599    95.527   23.915  10.301  30.437  10.574  -6.522224      14.76161 
1 1 1 -26 3   41 o 20.910  8.9064  98.172     79.372   59.937     88.903   248.370    176.205  18.769  8.6073  23.218  11.098  -4.449303      14.04487 
1 1 1 -26 3   42 o 17.582  8.0973  37.663     79.824   6.9048     90.340   147.180    170.467  16.735  7.9847  21.129  10.295  -4.394165      13.02862 
1 1 1 -26 3   43 o 17.249  7.5073  42.544     58.773   -90.9865   78.041   217.516    89.334   13.113  6.4996  29.332  10.223  -16.21888      12.11425 
1 1 1 -26 3   44 o 22.299  8.3913  103.796    61.716   97.765     82.122   111.622    93.551   20.840  8.9718  21.316  9.3693  -0.4764366     12.97213 
1 1 1 -26 3   45 o 15.452  7.4159  -13.5642   80.447   132.680    224.974  -35.0058   86.143   20.335  10.220  15.098  7.3483  5.237159       12.58788 
1 1 1 -26 3   46 o 14.443  7.1183  -60.3497   88.951   15.931     224.575  -74.5438   96.874   18.777  9.5222  14.575  7.2273  4.202562       11.95431 
1 1 1 -26 3   47 o 24.094  10.120  187.169    100.139  -161.3127  253.557  251.569    109.000  ?       ?       27.015  10.862  0.000000       10.86169 
1 1 1 -26 4   1  o 30.837  7.9162  149.579    59.533   137.485    146.130  151.986    65.188   26.612  11.703  30.518  8.4923  -3.906609      14.45956 
1 1 1 -26 4   2  o 11.780  5.5411  -30.9138   40.618   -45.1247   63.027   -20.8193   53.120   14.282  6.7726  14.220  6.5689  0.6223774E-01  9.434954 
1 1 1 -26 4   3  o 17.882  8.0710  4.3866     74.350   4.3866     74.350   0.0000     0.0000   17.882  8.0710  ?       ?       0.000000       8.071036 
1 1 1 -26 4   4  o 17.697  8.0744  -3.9292    76.918   -3.9292    76.918   0.0000     0.0000   17.697  8.0744  ?       ?       0.000000       8.074445 
1 1 1 -26 4   5  o 26.612  8.2354  113.007    58.614   9.1895     88.190   195.156    78.448   19.241  8.7272  34.106  9.2470  -14.86543      12.71502 
1 1 1 -26 4   6  o 18.312  7.2712  39.339     48.234   98.491     68.857   -17.6486   67.586   24.693  8.9374  16.146  7.4416  8.546474       11.62992 
1 1 1 -26 4   7  o 30.957  7.4472  145.176    55.258   215.633    77.241   71.318     79.083   36.518  8.8172  22.508  9.1781  14.01001       12.72717 
1 1 1 -26 4   8  o 45.672  6.2570  293.806    67.516   287.227    87.765   303.344    105.672  42.410  8.8164  41.321  10.514  1.089291       13.72119 
1 1 1 -26 4   9  o 29.678  8.0295  138.010    59.223   186.459    84.513   91.264     83.015   32.660  9.8471  24.116  9.5508  8.544115       13.71794 
1 1 1 -26 4   10 o 26.097  8.1528  107.557    57.291   31.938     82.934   176.581    79.235   20.151  8.8401  32.159  9.4977  -12.00779      12.97515 
1 1 1 -26 4   11 o 41.612  9.6981  291.227    96.109   270.638    232.251  295.481    105.573  30.836  14.054  40.644  10.596  -9.807589      17.60126 
1 1 1 -26 4   12 o 34.403  10.270  212.039    92.260   229.808    233.936  208.766    100.397  29.672  13.734  33.299  10.837  -3.627979      17.49516 
1 1 1 -26 4   13 o 24.209  9.7405  91.878     87.728   -106.7699  203.656  137.137    97.209   22.019  10.836  27.513  10.489  -5.494598      15.08110 
1 1 1 -26 4   14 o 50.417  6.5687  362.356    78.449   342.129    116.147  379.324    106.382  43.216  11.037  48.028  9.4652  -4.812050      14.53993 
1 1 1 -26 4   15 f 37.723  7.4475  213.139    65.749   261.269    91.396   161.515    94.656   39.290  9.6557  29.521  10.503  9.768900       14.26693 
1 1 1 -26 4   16 o 27.066  8.5550  119.006    62.894   109.401    87.852   129.105    90.082   25.450  9.9005  26.973  10.140  -1.523350      14.17196 
1 1 1 -26 4   17 o 30.995  8.4330  154.531    65.110   147.594    90.054   162.127    94.247   28.475  10.232  29.510  10.482  -1.035145      14.64854 
1 1 1 -26 4   18 o 19.930  8.1153  48.549     61.717   59.477     82.824   34.906     92.545   21.716  9.1668  20.746  9.2092  0.9698601      12.99380 
1 1 1 -26 4   19 o 14.077  6.5989  -32.7433   56.783   -4.2631    75.889   -68.9722   85.592   17.548  8.0118  15.824  7.6088  1.724109       11.04910 
1 1 1 -26 4   20 o 12.544  6.1480  -93.1840   63.425   -126.7722  78.283   -29.0082   108.207  13.358  6.6010  18.952  8.9534  -5.593293      11.12369 
1 1 1 -26 4   21 o 31.856  8.5143  165.575    67.074   106.077    89.191   243.029    101.762  24.907  9.8884  35.683  10.816  -10.77622      14.65483 
1 1 1 -26 4   22 o 37.390  8.0215  219.274    70.594   238.444    93.167   193.430    108.175  36.213  10.179  30.707  11.189  5.505842       15.12632 
1 1 1 -26 4   23 o 25.057  8.8299  105.620    66.748   140.676    89.813   62.370     99.759   27.382  10.158  22.157  9.7086  5.224197       14.05146 
1 1 1 -26 4   24 o 19.289  8.8752  8.2741     95.589   8.2741     95.589   0.0000     0.0000   19.289  8.8752  ?       ?       0.000000       8.875167 
1 1 1 -26 4   25 o 20.602  9.3128  35.723     99.435   35.723     99.435   0.0000     0.0000   20.602  9.3128  ?       ?       0.000000       9.312800 
1 1 1 -26 4   26 o 30.458  11.319  205.021    111.600  205.021    111.600  0.0000     0.0000   30.458  11.319  ?       ?       0.000000       11.31858 
1 1 1 -26 4   27 o 17.988  8.1343  14.081     75.944   66.021     110.238  -32.8359   104.772  22.021  9.8936  18.009  8.5944  4.012348       13.10523 
1 1 1 -26 4   28 o 57.917  6.3925  492.783    88.337   551.370    130.915  443.809    119.694  54.617  10.255  48.407  10.493  6.209450       14.67241 
1 1 1 -26 4   29 o 59.711  6.3892  527.260    91.133   495.612    138.142  551.647    121.264  47.902  11.930  56.162  9.2186  -8.260029      15.07689 
1 1 1 -26 4   30 o 21.797  8.7799  82.317     71.363   84.605     113.794  80.833     91.618   22.170  9.9976  21.776  9.4253  0.3941479      13.74001 
1 1 1 -26 4   31 o 16.248  7.7474  -28.9513   84.764   -257.7180  283.813  -6.5474    88.817   ?       ?       17.345  8.1692  0.000000       8.169201 
1 1 1 -26 4   32 o 26.869  10.716  179.015    105.193  329.052    304.673  158.709    112.086  24.894  12.421  25.219  10.656  -0.3257027     16.36511 
1 1 1 -26 4   33 o 22.558  8.8987  99.893     71.803   50.707     109.092  137.486    95.374   19.934  9.2790  24.337  10.019  -4.402979      13.65596 
1 1 1 -26 4   34 o 42.894  7.9519  315.858    79.715   376.748    121.213  269.455    105.817  38.479  11.832  32.694  11.138  5.785141       16.24961 
1 1 1 -26 4   35 o 24.769  9.2079  133.049    73.871   88.578     110.767  168.672    99.138   20.863  9.5825  25.421  10.310  -4.557529      14.07555 
1 1 1 -26 4   36 o 21.339  8.7395  94.060     72.098   130.920    116.811  71.377     91.635   22.199  10.059  19.783  8.9417  2.415779       13.45863 
1 1 1 -26 4   37 o 20.515  9.1562  90.850     92.766   0.0000     0.0000   90.850     92.766   ?       ?       20.515  9.1562  0.000000       9.156195 
1 1 1 -26 4   38 o 19.595  8.7346  75.222     84.139   0.0000     0.0000   75.222     84.139   ?       ?       19.595  8.7346  0.000000       8.734560 
1 1 1 -26 4   39 o 19.811  8.2339  77.370     65.270   93.113     104.625  67.339     83.514   20.228  9.2991  19.089  8.5906  1.138720       12.65982 
1 1 1 -26 4   40 f 20.600  8.7903  93.060     77.571   38.064     86.281   324.944    177.168  17.741  8.2563  25.131  11.740  -7.389122      14.35279 
1 1 1 -26 4   41 o 23.121  9.4465  134.266    83.982   111.420    92.972   235.568    195.772  21.264  9.3435  22.350  10.921  -1.085485      14.37268 
1 1 1 -26 4   42 o ?       ?       -203.8691  58.454   -172.8107  63.632   -371.7486  147.940  9.9946  5.0684  ?       ?       0.000000       5.068361 
1 1 1 -26 4   43 o 19.944  8.0728  77.495     60.651   73.438     81.719   82.470     90.500   19.428  8.6376  19.869  8.9418  -0.4400101     12.43236 
1 1 1 -26 4   44 o 22.692  8.3696  108.021    60.797   17.850     83.843   208.011    88.289   16.805  7.9214  28.388  10.139  -11.58306      12.86649 
1 1 1 -26 4   45 o 24.456  10.316  187.611    104.781  665.305    288.988  115.307    112.431  24.816  12.336  20.636  9.5413  4.180445       15.59510 
1 1 1 -26 4   46 o 20.637  9.3763  119.460    102.343  -269.0783  304.985  168.763    108.643  ?       ?       22.631  10.015  0.000000       10.01504 
1 1 1 -26 4   47 o 13.281  6.5826  -71.1379   79.988   -308.2853  279.159  -49.9266   83.489   ?       ?       14.037  6.9138  0.000000       6.913772 
1 1 1 -26 5   1  o 33.062  8.7821  180.619    71.644   148.814    79.999   309.473    161.021  28.903  9.6848  34.649  13.425  -5.745615      16.55338 
1 1 1 -26 5   2  o 20.035  8.5188  42.899     72.386   28.388     83.597   86.380     144.710  19.815  8.7762  24.628  11.174  -4.813322      14.20849 
1 1 1 -26 5   3  o 26.190  10.021  120.725    88.933   120.725    88.933   0.0000     0.0000   26.190  10.021  ?       ?       0.000000       10.02117 
1 1 1 -26 5   4  o 34.212  7.8891  181.251    64.151   116.308    96.986   231.763    85.535   25.816  10.292  36.973  9.4873  -11.15705      13.99751 
1 1 1 -26 5   5  o 49.503  5.7244  338.084    67.490   315.579    90.214   366.688    101.705  44.618  8.6453  47.504  9.1556  -2.886147      12.59230 
1 1 1 -26 5   6  o 26.431  8.0012  110.064    55.716   151.452    75.927   61.775     82.014   29.712  9.4005  21.890  9.1745  7.822504       13.13546 
1 1 1 -26 5   7  o 34.494  7.5119  179.833    61.092   105.070    86.629   253.799    86.166   25.129  9.8160  39.249  9.2068  -14.11978      13.45801 
1 1 1 -26 5   8  o 37.159  7.0323  202.802    61.082   201.840    85.870   203.787    86.906   34.010  9.8430  34.094  9.9122  -0.8351898E-01 13.96910 
1 1 1 -26 5   9  o 23.908  8.1833  89.125     57.128   75.096     81.892   102.423    79.733   22.855  9.3320  24.966  9.5040  -2.111097      13.31955 
1 1 1 -26 5   10 o 21.508  9.0604  56.301     80.649   4.1474     208.174  65.511     87.480   24.156  11.676  22.381  9.4327  1.775576       15.01044 
1 1 1 -26 5   11 o 12.229  6.0797  -137.2229  70.307   -0.0132    204.246  -155.6663  74.883   23.971  11.581  12.336  6.1556  11.63449       13.11557 
1 1 1 -26 5   12 o 34.938  10.513  223.085    96.407   525.414    239.536  164.646    105.313  39.297  15.993  29.273  10.972  10.02401       19.39491 
1 1 1 -26 5   13 o 44.614  6.5665  284.636    68.957   372.820    100.412  205.927    94.864   48.323  8.8914  33.462  10.497  14.86119       13.75669 
1 1 1 -26 5   14 o 40.426  7.0748  239.954    66.869   255.287    93.369   223.809    95.811   38.378  9.9454  35.020  10.468  3.358032       14.43920 
1 1 1 -26 5   15 o 39.399  7.3682  231.600    67.849   214.344    94.178   250.222    97.833   34.260  10.410  37.253  10.417  -2.993565      14.72657 
1 1 1 -26 5   16 o 50.851  6.0866  362.220    73.607   450.014    103.363  271.887    104.846  54.117  8.1224  38.303  10.810  15.81392       13.52117 
1 1 1 -26 5   17 o 39.277  7.8912  237.101    72.595   247.754    92.506   220.024    117.126  37.603  9.9748  32.532  11.672  5.070713       15.35334 
1 1 1 -26 5   18 o 17.593  7.5711  22.259     58.440   26.399     78.334   17.062     87.761   19.378  8.5434  19.501  8.7883  -0.1233559     12.25655 
1 1 1 -26 5   19 o 15.231  7.0158  -17.4092   59.966   20.801     77.331   -75.0420   94.973   18.952  8.4153  16.448  7.9344  2.504787       11.56596 
1 1 1 -26 5   20 o 27.287  8.9368  126.074    68.234   65.664     90.061   207.475    104.545  22.193  9.4708  32.235  11.069  -10.04213      14.56779 
1 1 1 -26 5   21 o 12.961  6.2645  -66.6598   59.906   -92.3734   77.232   -27.8226   94.916   14.146  6.9008  17.944  8.4494  -3.797957      10.90930 
1 1 1 -26 5   22 o 14.396  6.7513  -31.2264   59.542   -5.0637    78.895   -65.8473   90.756   17.587  8.0813  16.246  7.8172  1.341433       11.24343 
1 1 1 -26 5   23 o 26.989  10.563  142.706    100.473  142.706    100.473  0.0000     0.0000   26.989  10.563  ?       ?       0.000000       10.56331 
1 1 1 -26 5   24 o 22.899  9.7869  81.673     96.439   81.673     96.439   0.0000     0.0000   22.899  9.7869  ?       ?       0.000000       9.786885 
1 1 1 -26 5   25 o 14.974  7.2864  -83.3213   84.566   -83.3213   84.566   0.0000     0.0000   14.974  7.2864  ?       ?       0.000000       7.286361 
1 1 1 -26 5   26 o 21.465  8.5537  72.025     66.969   165.597    88.941   -50.4756   101.765  28.827  10.189  17.274  8.3037  11.55310       13.14408 
1 1 1 -26 5   27 o 28.704  9.2494  152.172    73.249   111.838    114.228  180.340    95.460   24.042  10.465  29.268  10.533  -5.226114      14.84804 
1 1 1 -26 5   28 o 18.264  8.0337  30.929     68.894   106.148    113.695  -12.7148   86.604   23.484  10.325  17.275  8.1145  6.208366       13.13225 
1 1 1 -26 5   29 o 30.869  9.4125  181.984    76.900   295.876    122.283  107.475    98.907   34.457  11.963  23.357  9.9452  11.09979       15.55725 
1 1 1 -26 5   30 o 21.217  9.3496  73.831     93.702   -60.8753   290.640  89.457     98.988   21.634  10.956  22.088  9.6748  -0.4544754     14.61645 
1 1 1 -26 5   31 o 15.725  7.6302  -55.7626   91.010   380.250    290.553  -103.1950  95.833   25.874  12.773  14.840  7.3278  11.03333       14.72557 
1 1 1 -26 5   32 o 26.392  9.4099  145.453    76.017   117.302    120.029  164.306    98.227   22.701  10.250  26.056  10.367  -3.354486      14.57826 
1 1 1 -26 5   33 o 20.884  8.7462  81.309     74.445   130.520    118.870  49.552     95.491   22.934  10.291  19.385  8.9012  3.549688       13.60637 
1 1 1 -26 5   34 o 24.274  9.1666  126.766    73.795   211.490    119.678  74.791     93.736   26.485  11.091  20.269  9.1133  6.216053       14.35459 
1 1 1 -26 5   35 f 26.764  9.4706  160.844    76.862   128.650    120.389  182.996    99.864   22.103  10.091  26.001  10.417  -3.897669      14.50320 
1 1 1 -26 5   36 o 26.419  10.436  193.265    98.884   0.0000     0.0000   193.265    98.884   ?       ?       26.419  10.436  0.000000       10.43611 
1 1 1 -26 5   37 o 18.615  8.5733  53.788     89.486   0.0000     0.0000   53.788     89.486   ?       ?       18.615  8.5733  0.000000       8.573285 
1 1 1 -26 5   38 o 12.503  6.2048  -93.1074   71.942   -193.7494  310.999  -87.4175   73.947   ?       ?       12.826  6.3518  0.000000       6.351824 
1 1 1 -26 5   39 o 28.857  9.2696  184.973    73.613   152.271    113.183  208.948    96.909   22.473  10.066  27.174  10.446  -4.701696      14.50629 
1 1 1 -26 5   40 o 12.639  6.2370  -77.0382   69.025   -25.4394   76.197   -313.0698  162.968  14.814  7.1367  ?       ?       0.000000       7.136681 
1 1 1 -26 5   41 o 16.036  7.5300  8.5998     74.481   -22.9790   82.645   145.171    171.870  15.320  7.3932  21.001  10.256  -5.680527      12.64274 
1 1 1 -26 5   42 o 16.900  7.4672  37.252     60.167   -38.1895   81.351   128.350    89.396   14.784  7.1826  22.435  9.4997  -7.651497      11.90946 
1 1 1 -26 5   43 o 14.066  6.5758  -6.0680    55.730   -25.4114   76.829   15.412     80.961   14.862  7.1612  16.605  7.8141  -1.743067      10.59919 
1 1 1 -26 5   44 o 25.459  10.446  199.921    103.237  238.457    291.797  194.408    110.376  20.784  10.570  24.454  10.461  -3.670351      14.87188 
1 1 1 -26 5   45 o 19.242  8.8170  81.424     93.022   -70.3657   289.667  98.878     98.224   ?       ?       19.950  9.1110  0.000000       9.111015 
1 1 1 -26 5   46 o 21.528  9.5545  143.995    99.577   142.129    299.359  144.228    105.590  ?       ?       21.233  9.5977  0.000000       9.597733 
1 1 1 -26 6   1  o 34.465  10.209  216.980    91.442   269.318    105.743  61.790     182.087  37.568  10.937  24.417  11.559  13.15104       15.91344 
1 1 1 -26 6   2  o 17.091  7.9521  -20.9180   79.973   -20.8953   93.084   -20.9822   156.285  18.167  8.4948  21.645  10.374  -3.477205      13.40853 
1 1 1 -26 6   3  o 11.724  5.6017  -45.1253   44.778   -39.1091   73.514   -48.6741   56.461   15.715  7.4107  13.285  6.3316  2.429630       9.747186 
1 1 1 -26 6   4  f 14.457  6.5294  -7.6325    48.757   47.283     74.412   -48.9453   64.541   20.486  8.6704  14.315  6.8073  6.171581       11.02336 
1 1 1 -26 6   5  o 13.877  6.3407  -14.4318   47.655   -18.9845   75.658   -11.4378   61.355   16.845  7.8019  15.762  7.1992  1.082792       10.61595 
1 1 1 -26 6   6  o 10.890  5.4033  -108.0747  54.434   -100.5700  79.681   -114.6420  74.539   14.268  6.9712  13.298  6.5465  0.9704418      9.563201 
1 1 1 -26 6   7  o 13.941  6.4857  -26.6464   53.178   -77.4507   84.521   6.6412     68.416   15.484  7.4733  17.522  7.8385  -2.037853      10.83011 
1 1 1 -26 6   8  o 20.944  8.4310  57.982     65.760   127.101    92.150   -13.7450   93.872   26.741  10.208  18.628  8.6499  8.113192       13.38020 
1 1 1 -26 6   9  o 27.117  10.109  130.804    89.171   -17.8862   187.360  174.347    101.391  23.040  11.122  30.150  10.855  -7.109884      15.54112 
1 1 1 -26 6   10 o 27.930  9.9380  138.461    84.748   174.168    189.499  129.533    94.752   28.201  12.792  26.882  10.330  1.319027       16.44208 
1 1 1 -26 6   11 o 23.446  9.4101  83.868     81.658   -28.6638   222.183  101.442    87.802   23.791  11.627  24.822  9.8248  -1.030930      15.22241 
1 1 1 -26 6   12 o 16.785  7.5263  2.0981     63.465   131.863    94.855   -103.0734  85.395   27.040  10.349  14.800  7.2281  12.23932       12.62304 
1 1 1 -26 6   13 o 25.792  8.6939  108.621    64.469   125.095    101.265  97.393     83.600   26.422  10.522  24.473  9.6185  1.949087       14.25556 
1 1 1 -26 6   14 o 21.484  8.5429  64.391     66.669   12.478     108.150  96.210     84.671   20.579  9.4582  24.365  9.6468  -3.785984      13.50994 
1 1 1 -26 6   15 o 13.609  6.4547  -44.2339   57.298   -49.1329   79.839   -39.0306   82.281   15.979  7.5905  16.602  7.8325  -0.6238060     10.90704 
1 1 1 -26 6   16 o 15.271  7.0405  -18.4181   60.573   -136.8437  84.906   104.324    86.440   13.829  6.8411  24.914  9.7841  -11.08489      11.93858 
1 1 1 -26 6   17 f 10.719  5.3560  -130.1435  57.578   -200.7817  83.570   -66.3123   79.442   12.322  6.1975  15.281  7.3436  -2.959459      9.609207 
1 1 1 -26 6   18 o 13.474  6.4047  -45.5367   57.008   -129.2225  76.516   58.874     85.467   13.086  6.4772  21.645  9.2313  -8.559570      11.27701 
1 1 1 -26 6   19 o 38.173  7.7393  224.312    69.230   168.081    94.219   290.294    102.063  29.640  10.486  39.971  10.418  -10.33022      14.78106 
1 1 1 -26 6   20 o 42.128  7.3934  267.908    72.818   193.275    97.603   361.598    109.358  31.448  10.697  45.159  10.219  -13.71043      14.79337 
1 1 1 -26 6   21 f 61.369  6.1946  535.143    90.979   565.841    114.828  483.374    149.117  60.277  8.0525  47.697  12.670  12.57919       15.01243 
1 1 1 -26 6   22 o 46.198  11.012  403.962    121.688  403.962    121.688  0.0000     0.0000   46.198  11.012  ?       ?       0.000000       11.01171 
1 1 1 -26 6   23 o 13.106  6.5093  -137.7697  79.821   -137.7697  79.821   0.0000     0.0000   13.106  6.5093  ?       ?       0.000000       6.509312 
1 1 1 -26 6   24 f 14.388  6.9870  -77.3798   76.729   -77.3798   76.729   0.0000     0.0000   14.388  6.9870  ?       ?       0.000000       6.986996 
1 1 1 -26 6   25 o 43.213  7.5195  290.366    75.980   202.264    101.662  401.848    114.359  30.836  10.894  46.452  10.405  -15.61620      15.06431 
1 1 1 -26 6   26 f 25.176  9.0432  115.106    70.332   144.548    101.398  87.809     97.637   26.218  10.499  22.734  9.7849  3.483837       14.35173 
1 1 1 -26 6   27 o 33.535  8.8541  198.528    73.108   124.595    106.540  264.321    100.504  24.545  10.381  35.743  10.730  -11.19872      14.92933 
1 1 1 -26 6   28 o 34.795  8.9289  216.495    75.759   265.202    110.745  173.652    103.866  33.775  11.395  27.463  10.743  6.311607       15.66006 
1 1 1 -26 6   29 o 21.913  9.4980  86.099     93.304   12.571     263.660  96.625     99.759   22.110  11.106  22.497  9.7862  -0.3870392     14.80269 
1 1 1 -26 6   30 o 24.867  10.209  141.133    98.668   -8.5693    298.290  159.525    104.554  21.806  11.049  25.757  10.534  -3.950415      15.26587 
1 1 1 -26 6   31 f 12.199  6.1227  -155.9081  79.275   -208.3917  285.607  -151.5271  82.517   ?       ?       12.591  6.3093  0.000000       6.309293 
1 1 1 -26 6   32 o 33.253  9.3830  220.300    79.004   103.245    122.792  302.982    103.200  21.831  10.050  36.358  10.863  -14.52636      14.79930 
1 1 1 -26 6   33 o 19.700  8.5294  66.425     75.080   185.547    120.280  -9.6203    96.103   25.131  10.838  17.018  8.1512  8.112951       13.56152 
1 1 1 -26 6   34 o 17.311  7.8455  30.747     71.097   -26.4540   113.395  67.798     91.263   17.125  8.3556  19.697  8.9113  -2.572636      12.21592 
1 1 1 -26 6   35 f 15.188  7.3881  -41.8883   86.772   0.0000     0.0000   -41.8883   86.772   ?       ?       15.188  7.3881  0.000000       7.388110 
1 1 1 -26 6   36 o 18.858  8.6818  58.420     91.655   0.0000     0.0000   58.420     91.655   ?       ?       18.858  8.6818  0.000000       8.681830 
1 1 1 -26 6   37 o 24.396  10.065  167.474    96.497   611.001    305.869  118.450    101.690  24.297  12.171  21.378  9.5605  2.918827       15.47689 
1 1 1 -26 6   38 o 10.059  5.0765  -139.4720  58.762   -281.7180  96.189   -54.7753   74.223   ?       ?       13.719  6.7079  0.000000       6.707924 
1 1 1 -26 6   39 o 17.428  8.0732  35.645     81.046   68.321     86.667   -192.0461  228.776  19.042  8.6425  ?       ?       0.000000       8.642496 
1 1 1 -26 6   40 o 21.075  9.3007  109.536    93.061   58.100     101.857  369.350    228.921  18.760  8.8083  23.559  11.573  -4.798046      14.54368 
1 1 1 -26 6   41 o 22.239  8.3741  103.569    61.483   42.786     85.859   167.545    88.085   17.935  8.3083  25.186  9.8813  -7.251070      12.90998 
1 1 1 -26 6   42 o 10.175  5.0881  -101.5912  52.412   -53.7215   71.270   -157.9706  77.346   13.520  6.6030  11.592  5.8467  1.928879       8.819535 
1 1 1 -26 6   43 o 12.970  6.1875  -24.9690   54.202   27.581     76.008   -79.3398   77.314   16.828  7.8032  13.234  6.5435  3.593546       10.18373 
1 1 1 -26 6   44 o 14.503  7.1424  -56.8340   89.002   -205.4972  273.069  -39.1640   94.143   ?       ?       15.234  7.4709  0.000000       7.470898 
1 1 1 -26 6   45 o 12.207  6.1517  -143.7946  84.529   -55.5262   270.653  -153.3350  88.980   ?       ?       12.370  6.2434  0.000000       6.243388 
1 1 1 -26 6   46 o 21.917  9.6929  164.310    101.602  219.481    301.483  157.241    107.915  ?       ?       21.193  9.6286  0.000000       9.628597 
1 1 1 -26 7   1  o 38.623  10.324  270.606    98.613   148.070    116.207  585.883    186.400  27.307  11.129  48.558  14.620  -21.25182      18.37444 
1 1 1 -26 7   2  o 14.247  6.4769  -10.6350   48.934   6.4186     76.726   -22.3278   63.532   18.099  8.1812  15.366  7.1286  2.733134       10.85123 
1 1 1 -26 7   3  o 24.443  7.9845  94.367     54.479   67.487     83.069   114.654    72.167   22.152  9.2549  25.996  9.1791  -3.843397      13.03492 
1 1 1 -26 7   4  f 23.511  7.8763  86.003     52.910   114.026    80.273   64.477     70.356   25.753  9.5937  21.548  8.7043  4.205282       12.95387 
1 1 1 -26 7   5  o 13.140  6.2822  -52.3325   56.521   -87.2188   83.170   -22.3941   77.047   15.004  7.2834  16.794  7.8109  -1.790024      10.67985 
1 1 1 -26 7   6  o 29.165  8.8656  141.778    68.300   178.797    99.851   109.227    93.631   30.469  10.793  25.289  10.102  5.179829       14.78335 
1 1 1 -26 7   7  o 33.166  8.9363  182.163    73.535   247.576    99.764   104.347    108.812  36.649  10.610  25.052  10.537  11.59639       14.95359 
1 1 1 -26 7   8  o 16.442  7.6575  -25.2353   74.454   -46.6762   173.704  -20.4096   82.408   21.863  10.592  17.390  8.0849  4.472689       13.32531 
1 1 1 -26 7   9  o 23.822  9.5711  89.077     84.573   95.457     186.508  87.425     94.890   25.693  12.017  23.864  9.9241  1.828230       15.58508 
1 1 1 -26 7   10 o 28.102  10.173  143.518    89.221   144.462    187.786  143.242    101.397  27.129  12.466  27.661  10.671  -0.5322075     16.40975 
1 1 1 -26 7   11 o 21.978  8.4774  70.971     63.988   149.132    104.422  23.973     80.972   27.991  10.820  19.457  8.6266  8.533485       13.83820 
1 1 1 -26 7   12 o 22.951  8.5148  81.400     63.107   35.271     99.277   112.677    81.748   21.089  9.4378  25.669  9.6579  -4.579355      13.50360 
1 1 1 -26 7   13 o 39.458  8.2077  243.588    76.021   305.211    125.076  207.487    95.733   38.384  12.055  33.305  10.558  5.078373       16.02476 
1 1 1 -26 7   14 o 19.630  8.0753  45.340     61.896   45.906     100.766  44.997     78.438   21.634  9.6061  20.516  8.7988  1.118277       13.02675 
1 1 1 -26 7   15 o 13.537  6.5058  -60.9937   62.371   -136.6230  96.359   -6.4582    81.825   14.933  7.3691  17.909  8.2294  -2.975164      11.04653 
1 1 1 -26 7   16 o ?       ?       -378.3540  49.469   -462.0753  80.328   -327.2007  62.789   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 7   17 o 21.109  8.3863  62.646     64.194   82.855     94.594   45.394     87.400   23.357  9.8245  20.887  9.1212  2.470100       13.40582 
1 1 1 -26 7   18 o 32.955  9.2571  186.690    77.077   95.135     118.100  254.622    101.729  24.338  10.616  36.603  10.748  -12.26533      15.10712 
1 1 1 -26 7   19 o 20.253  8.2987  53.081     65.045   -56.1632   91.015   167.122    92.992   16.598  7.9453  29.472  10.418  -12.87467      13.10223 
1 1 1 -26 7   20 o 10.376  5.1961  -130.6309  55.546   -155.7351  73.721   -97.6624   84.483   12.076  6.0384  14.682  7.1741  -2.605051      9.377081 
1 1 1 -26 7   21 o 19.042  8.5499  21.309     82.198   40.315     92.513   -49.9483   179.131  20.583  9.1681  21.361  10.440  -0.7784863     13.89407 
1 1 1 -26 7   22 o 27.718  10.743  157.580    103.140  157.580    103.140  0.0000     0.0000   27.718  10.743  ?       ?       0.000000       10.74281 
1 1 1 -26 7   23 o 15.119  7.3462  -80.0122   85.168   -80.0122   85.168   0.0000     0.0000   15.119  7.3462  ?       ?       0.000000       7.346241 
1 1 1 -26 7   24 o 18.124  7.8825  29.279     64.703   49.298     85.061   1.7899     99.676   20.412  8.9538  18.921  8.8281  1.491652       12.57402 
1 1 1 -26 7   25 o 31.598  8.8001  175.007    69.969   262.293    105.582  106.659    93.429   35.146  11.082  23.872  9.8807  11.27423       14.84695 
1 1 1 -26 7   26 o 12.938  6.2612  -61.1265   60.273   -58.2146   92.462   -63.2782   79.481   16.136  7.7951  14.889  7.2015  1.246387       10.61246 
1 1 1 -26 7   27 o 31.298  9.1766  182.157    74.205   269.365    108.440  105.360    101.762  34.476  11.265  23.236  9.9953  11.23976       15.06008 
1 1 1 -26 7   28 o 13.297  6.5674  -104.7879  77.135   -111.0034  203.898  -103.7498  83.327   19.710  9.8825  13.907  6.8607  5.803120       12.03044 
1 1 1 -26 7   29 o 15.349  7.4183  -51.4875   83.986   124.174    213.169  -83.7656   91.378   22.988  11.267  14.997  7.3560  7.990366       13.45589 
1 1 1 -26 7   30 o 25.214  10.234  150.620    97.763   166.438    233.639  147.263    107.640  23.182  11.446  24.529  10.407  -1.346443      15.47002 
1 1 1 -26 7   31 o 34.615  9.0501  228.742    76.868   271.157    110.140  188.465    107.331  32.318  11.346  26.661  10.757  5.656815       15.63521 
1 1 1 -26 7   32 o 13.615  6.6096  -54.2885   68.528   -18.7790   112.674  -75.1348   86.331   17.508  8.4939  14.495  7.1178  3.012705       11.08190 
1 1 1 -26 7   33 o 14.777  6.9852  -15.2752   66.030   36.205     106.539  -47.3829   84.138   18.727  8.8585  14.992  7.2885  3.735456       11.47149 
1 1 1 -26 7   34 o 20.143  9.1395  81.817     96.815   0.0000     0.0000   81.817     96.815   ?       ?       20.143  9.1395  0.000000       9.139487 
1 1 1 -26 7   35 o 19.194  8.8173  65.564     93.831   0.0000     0.0000   65.564     93.831   ?       ?       19.194  8.8173  0.000000       8.817345 
1 1 1 -26 7   36 o 22.667  9.7031  137.983    95.066   183.279    323.407  133.699    99.460   ?       ?       22.214  9.7146  0.000000       9.714556 
1 1 1 -26 7   37 o 26.321  9.3118  161.813    74.302   296.163    113.315  60.480     98.411   30.827  11.415  18.786  8.7676  12.04107       14.39367 
1 1 1 -26 7   38 o 100.946 7.5863  1797.09    184.457  188.934    212.602  6693.32    370.967  21.082  10.496  191.591 7.9799  -170.5093      13.18486 
1 1 1 -26 7   39 o 17.635  8.2701  35.774     89.335   36.079     96.513   33.950     236.056  17.822  8.4307  19.311  9.7898  -1.489376      12.91966 
1 1 1 -26 7   40 o 11.310  5.6750  -126.3070  67.845   -51.7882   72.020   -713.6024  202.186  13.629  6.6521  ?       ?       0.000000       6.652069 
1 1 1 -26 7   41 f 13.518  6.4410  -22.5249   58.369   -158.3214  77.246   158.191    89.111   11.568  5.8357  24.301  9.8031  -12.73327      11.40856 
1 1 1 -26 7   42 o 16.437  7.3146  32.964     58.737   21.040     81.930   45.573     84.254   16.774  7.8835  17.883  8.2655  -1.109142      11.42221 
1 1 1 -26 7   43 o 24.577  10.436  198.852    108.372  178.385    292.385  202.112    116.683  ?       ?       24.041  10.518  0.000000       10.51777 
1 1 1 -26 7   44 o 13.353  6.6562  -94.2624   86.633   -138.9649  299.292  -90.1743   90.508   ?       ?       13.691  6.8215  0.000000       6.821459 
1 1 1 -26 7   45 o 14.440  7.1377  -50.0341   91.764   36.741     304.277  -58.7161   96.245   ?       ?       14.466  7.1787  0.000000       7.178705 
1 1 1 -26 8   1  o 64.035  5.0515  553.199    77.851   482.664    111.425  620.469    108.816  54.921  8.6474  64.943  7.0171  -10.02208      11.13634 
1 1 1 -26 8   2  o 27.897  7.8165  122.972    55.027   96.217     82.605   144.315    73.779   24.124  9.5356  28.809  9.2828  -4.684938      13.30783 
1 1 1 -26 8   3  o 18.126  7.6171  31.662     56.775   46.972     75.446   11.671     86.211   20.412  8.6885  19.053  8.6368  1.359112       12.25087 
1 1 1 -26 8   4  o 56.624  5.7770  444.666    78.261   463.209    109.817  425.531    111.559  53.911  8.6907  50.594  9.4345  3.316723       12.82729 
1 1 1 -26 8   5  f 61.913  5.9093  533.727    87.695   523.165    113.868  549.123    137.482  57.857  8.3530  55.838  10.534  2.019756       13.44363 
1 1 1 -26 8   6  o 39.141  10.241  273.372    98.376   420.562    192.818  221.574    114.384  38.024  14.702  32.721  11.556  5.302574       18.69998 
1 1 1 -26 8   7  o 72.615  7.6291  792.528    132.412  793.164    241.041  792.253    158.462  51.570  16.792  68.662  9.7885  -17.09180      19.43706 
1 1 1 -26 8   8  o 38.761  10.122  265.847    96.233   383.891    194.485  227.575    110.740  36.089  14.509  33.559  11.394  2.529770       18.44821 
1 1 1 -26 8   9  o 18.672  8.3928  12.336     79.436   -176.9250  181.787  57.003     88.314   19.745  9.8095  21.712  9.3247  -1.966948      13.53423 
1 1 1 -26 8   10 o 56.236  6.0195  442.395    80.861   508.480    116.841  381.652    112.019  56.387  8.8298  46.914  10.137  9.473007       13.44316 
1 1 1 -26 8   11 o 74.400  5.2016  747.367    93.310   738.748    135.026  755.245    129.094  69.063  8.2191  70.870  7.6273  -1.807693      11.21293 
1 1 1 -26 8   12 o 50.578  6.5280  366.747    78.244   357.973    119.459  373.339    103.546  43.532  11.234  47.530  9.3115  -3.997814      14.59132 
1 1 1 -26 8   13 o 64.842  5.6414  578.946    87.875   581.201    131.019  577.102    118.473  59.268  9.4264  60.958  8.2195  -1.690178      12.50667 
1 1 1 -26 8   14 f 55.633  6.0872  435.354    80.829   524.072    120.921  363.693    108.676  56.721  9.0932  45.720  10.069  11.00098       13.56698 
1 1 1 -26 8   15 o 17.425  7.6738  14.990     63.024   87.092     103.778  -27.1390   79.327   23.765  10.155  16.719  7.8254  7.046093       12.82007 
1 1 1 -26 8   16 o 59.166  6.0048  491.565    85.011   501.091    122.157  482.620    118.379  54.579  9.5733  53.799  9.4114  0.7806702      13.42464 
1 1 1 -26 8   17 o 51.346  6.6531  382.607    80.940   430.714    118.237  340.181    111.035  49.499  10.184  42.908  10.701  6.591133       14.77275 
1 1 1 -26 8   18 o 17.995  7.9547  18.482     68.356   -129.0149  99.823   148.714    93.799   15.299  7.5401  27.821  10.369  -12.52187      12.82078 
1 1 1 -26 8   19 o 31.037  8.8814  164.241    70.271   131.634    102.918  192.719    96.181   26.167  10.542  31.250  10.619  -5.082588      14.96318 
1 1 1 -26 8   20 o 54.276  9.5114  502.538    120.695  500.533    143.115  507.478    224.601  49.661  12.009  37.057  15.327  12.60448       19.47148 
1 1 1 -26 8   21 o 38.919  12.431  345.442    132.536  345.442    132.536  0.0000     0.0000   38.919  12.431  ?       ?       0.000000       12.43132 
1 1 1 -26 8   22 o 18.901  8.8426  -3.1191    101.089  -3.1191    101.089  0.0000     0.0000   18.901  8.8426  ?       ?       0.000000       8.842564 
1 1 1 -26 8   23 o 22.639  8.8042  86.038     69.456   57.751     84.626   144.415    121.572  20.858  9.0432  25.840  11.015  -4.981890      14.25146 
1 1 1 -26 8   24 o 12.712  6.2335  -87.6665   65.492   -173.7361  91.392   3.1856     93.897   13.313  6.6663  18.494  8.6086  -5.180991      10.88793 
1 1 1 -26 8   25 o 19.099  8.1967  44.396     68.150   -24.2695   99.810   104.369    93.279   17.707  8.4330  23.467  9.8060  -5.760601      12.93339 
1 1 1 -26 8   26 o 28.524  9.1032  152.905    71.082   156.496    102.241  149.546    98.892   26.348  10.546  26.042  10.389  0.3060017      14.80348 
1 1 1 -26 8   27 o 33.779  10.979  257.085    103.054  347.545    234.376  235.405    114.741  27.487  13.042  30.465  11.446  -2.977625      17.35254 
1 1 1 -26 8   28 o 16.709  7.9142  -15.2125   85.576   136.998    217.222  -43.1760   93.106   23.185  11.366  16.263  7.8481  6.921404       13.81216 
1 1 1 -26 8   29 o 16.201  7.6710  -15.6023   80.264   67.850     218.595  -28.6069   86.292   21.726  10.787  16.141  7.7292  5.584635       13.27050 
1 1 1 -26 8   30 o 25.453  9.0258  131.953    69.848   195.386    99.756   70.946     97.830   27.849  10.624  20.432  9.2365  7.417097       14.07745 
1 1 1 -26 8   31 o 23.210  8.9700  112.273    71.749   149.101    105.852  80.972     97.588   23.988  10.253  20.643  9.2883  3.344633       13.83448 
1 1 1 -26 8   32 o 67.296  5.8848  683.782    95.125   528.087    135.544  834.893    133.534  45.812  12.037  68.562  8.1889  -22.74994      14.55846 
1 1 1 -26 8   33 o 19.730  8.9952  72.691     95.227   0.0000     0.0000   72.691     95.227   ?       ?       19.730  8.9952  0.000000       8.995154 
1 1 1 -26 8   34 o 22.211  9.6483  128.008    96.704   0.0000     0.0000   128.008    96.704   ?       ?       22.211  9.6483  0.000000       9.648287 
1 1 1 -26 8   35 o 20.917  9.4014  108.565    99.658   0.0000     0.0000   108.565    99.658   ?       ?       20.917  9.4014  0.000000       9.401403 
1 1 1 -26 8   36 o 16.876  7.6922  32.709     69.591   -146.2426  114.040  138.885    87.843   14.327  7.2102  22.985  9.5527  -8.658676      11.96831 
1 1 1 -26 8   37 o 20.790  8.5083  93.692     68.269   77.675     96.291   109.881    96.806   19.381  8.9139  20.849  9.3257  -1.467724      12.90061 
1 1 1 -26 8   38 o 19.897  9.0835  89.813     97.521   5.4626     104.901  626.806    264.679  17.036  8.2482  25.710  12.591  -8.673515      15.05251 
1 1 1 -26 8   39 o 17.056  8.0836  20.899     89.532   -6.4142    96.472   190.486    240.388  16.423  7.9408  20.820  10.477  -4.397429      13.14618 
1 1 1 -26 8   40 o 28.438  9.1814  179.387    72.150   149.948    100.244  211.029    103.926  22.896  9.8846  26.283  10.592  -3.386358      14.48794 
1 1 1 -26 8   41 o 14.337  6.7947  -12.0018   63.264   85.965     87.699   -118.2930  91.349   19.821  8.8703  13.404  6.7051  6.416696       11.11932 
1 1 1 -26 8   42 o 13.683  6.7853  -82.3176   85.407   -426.1493  264.849  -42.4129   90.227   ?       ?       14.977  7.3386  0.000000       7.338589 
1 1 1 -26 8   43 o 13.631  6.7852  -88.8780   88.731   -54.5935   295.526  -92.2750   93.023   ?       ?       13.829  6.8939  0.000000       6.893916 
1 1 1 -26 8   44 o 19.247  8.8606  95.451     95.446   149.283    291.750  88.998     101.004  ?       ?       18.910  8.8441  0.000000       8.844097 
1 1 1 -26 9   1  o 67.916  5.2252  627.312    85.447   735.766    116.858  502.702    125.259  70.884  6.8810  53.947  9.9353  16.93688       12.08544 
1 1 1 -26 9   2  o 29.868  8.2037  144.310    61.276   138.081    82.916   151.805    90.956   27.552  9.8271  28.340  10.270  -0.7879162     14.21408 
1 1 1 -26 9   3  o 18.924  7.8661  39.617     59.578   65.687     83.600   12.712     84.928   21.930  9.2308  18.966  8.5870  2.964495       12.60733 
1 1 1 -26 9   4  o 21.775  8.3225  70.914     61.295   82.121     86.669   59.700     86.699   23.139  9.5415  21.686  9.2744  1.452435       13.30619 
1 1 1 -26 9   5  o 23.668  9.5484  89.644     84.547   100.974    166.320  85.696     98.178   25.272  11.657  23.600  9.9722  1.671194       15.34016 
1 1 1 -26 9   6  o 13.581  6.6939  -119.2199  78.727   -266.4272  153.304  -66.4935   91.749   16.817  8.4502  16.405  7.8855  0.4123745      11.55803 
1 1 1 -26 9   7  o 26.271  10.157  124.560    92.013   -50.5184   186.912  180.559    105.709  22.049  10.751  30.026  11.042  -7.977413      15.41171 
1 1 1 -26 9   8  o 61.278  7.1978  555.167    104.982  760.691    219.707  494.358    119.508  53.502  15.820  54.714  9.3370  -1.212006      18.36946 
1 1 1 -26 9   9  o 56.063  5.9742  439.901    80.016   445.765    113.414  434.090    112.908  51.893  9.3512  51.027  9.4678  0.8662796      13.30732 
1 1 1 -26 9   10 o 28.973  8.8448  141.049    67.874   152.693    95.730   129.278    96.249   28.343  10.493  26.527  10.351  1.815968       14.73910 
1 1 1 -26 9   11 o 17.210  7.5405  15.439     60.172   31.134     88.503   1.9478     82.055   20.170  8.9770  18.274  8.3384  1.896542       12.25212 
1 1 1 -26 9   12 o 21.918  8.5124  71.709     64.861   -38.2342   99.578   152.728    85.482   17.958  8.5150  28.843  10.003  -10.88513      13.13652 
1 1 1 -26 9   13 o 20.660  8.4458  56.270     67.177   85.821     105.584  36.171     87.075   23.682  10.184  20.322  8.9810  3.360125       13.57839 
1 1 1 -26 9   14 o 12.306  5.9911  -75.2426   57.383   -48.0451   98.464   -89.2301   70.613   17.500  8.3459  13.500  6.5885  3.999640       10.63309 
1 1 1 -26 9   15 o 36.560  8.3197  214.402    72.144   326.406    110.369  130.842    95.330   41.750  10.810  26.465  10.308  15.28561       14.93699 
1 1 1 -26 9   16 o 82.290  5.1686  918.566    102.676  956.302    149.448  884.831    141.305  78.622  7.9429  75.952  7.7773  2.670715       11.11642 
1 1 1 -26 9   17 o 20.722  8.6900  55.625     73.650   27.326     99.191   90.398     109.953  20.335  9.2358  23.744  10.301  -3.409208      13.83529 
1 1 1 -26 9   18 o 32.747  8.8330  181.781    71.798   148.763    102.662  213.391    100.449  27.252  10.675  32.537  10.852  -5.284597      15.22229 
1 1 1 -26 9   19 f 16.518  7.8017  -32.7696   82.058   -74.6791   92.071   129.086    180.938  15.954  7.7249  25.452  11.882  -9.497952      14.17210 
1 1 1 -26 9   20 o 23.401  10.507  86.458     124.127  86.458     124.127  0.0000     0.0000   23.401  10.507  ?       ?       0.000000       10.50695 
1 1 1 -26 9   21 o 36.841  12.457  324.562    132.355  324.562    132.355  0.0000     0.0000   36.841  12.457  ?       ?       0.000000       12.45664 
1 1 1 -26 9   22 o 31.210  12.001  242.673    127.923  242.673    127.923  0.0000     0.0000   31.210  12.001  ?       ?       0.000000       12.00053 
1 1 1 -26 9   23 o 40.091  8.7499  274.211    82.727   258.905    125.062  286.120    110.308  32.222  11.980  36.342  11.306  -4.119896      16.47291 
1 1 1 -26 9   24 o 53.467  6.7571  432.051    85.705   491.182    134.207  391.331    111.372  48.407  11.581  45.104  10.390  3.303120       15.55924 
1 1 1 -26 9   25 o 42.154  7.7079  287.388    75.934   295.960    108.036  279.020    106.750  36.743  11.146  35.468  11.137  1.274601       15.75626 
1 1 1 -26 9   26 o 23.923  9.0764  110.176    72.567   129.214    103.655  91.876     101.624  24.221  10.241  22.198  9.7608  2.023312       14.14766 
1 1 1 -26 9   27 o 23.304  9.7452  114.006    92.226   181.591    210.238  97.901     102.628  23.983  11.628  22.246  9.7949  1.736849       15.20353 
1 1 1 -26 9   28 o 12.635  6.3064  -132.6588  78.818   214.199    210.617  -189.1447  84.994   24.176  11.700  12.115  6.1131  12.06017       13.20115 
1 1 1 -26 9   29 o 31.572  9.0266  193.640    72.620   241.377    103.632  147.582    101.793  30.907  10.990  24.419  10.227  6.488277       15.01279 
1 1 1 -26 9   30 o ?       ?       -208.7451  57.329   -250.3169  90.029   -180.3903  74.352   ?       ?       11.136  5.6295  0.000000       5.629502 
1 1 1 -26 9   31 o 37.787  8.6408  266.787    77.501   302.804    114.993  236.811    104.906  32.738  11.584  29.374  10.962  3.364851       15.94874 
1 1 1 -26 9   32 o 14.765  7.0369  -19.6721   69.746   43.775     111.294  -60.7050   89.501   18.830  8.9500  14.845  7.2811  3.985223       11.53764 
1 1 1 -26 9   33 o 22.359  9.7866  134.637    101.135  0.0000     0.0000   134.637    101.135  ?       ?       22.359  9.7866  0.000000       9.786587 
1 1 1 -26 9   34 o 24.193  10.221  174.518    103.094  0.0000     0.0000   174.518    103.094  ?       ?       24.193  10.221  0.000000       10.22054 
1 1 1 -26 9   35 o 18.703  8.2009  64.596     71.300   120.361    113.010  27.718     91.900   20.933  9.6385  17.354  8.2145  3.579573       12.66408 
1 1 1 -26 9   36 o 13.540  6.4598  -22.0227   59.103   4.2989     79.724   -54.1416   88.067   15.979  7.5889  14.612  7.1779  1.366811       10.44575 
1 1 1 -26 9   37 o 23.527  9.8449  157.239    94.210   130.255    101.861  316.893    247.766  21.594  9.6191  21.964  10.995  -0.3707905     14.60905 
1 1 1 -26 9   38 o 22.121  9.6541  136.466    97.774   112.842    106.259  266.924    249.704  20.705  9.4637  21.409  10.761  -0.7045135     14.33052 
1 1 1 -26 9   39 o 35.389  8.8717  252.590    76.035   230.058    103.831  278.646    111.654  27.473  10.742  29.673  11.258  -2.199692      15.56113 
1 1 1 -26 9   40 o 13.110  6.2952  -30.4096   58.139   -32.2502   76.577   -27.9049   89.330   14.520  7.0343  15.414  7.4977  -0.8942165     10.28094 
1 1 1 -26 9   41 o 14.874  7.1689  -20.3249   77.122   15.470     213.172  -25.7157   82.726   18.688  9.4555  15.029  7.2881  3.659596       11.93833 
1 1 1 -26 9   42 o 15.075  7.3770  -33.2967   90.301   89.410     245.130  -52.5628   97.132   19.148  9.7336  14.938  7.3763  4.209748       12.21280 
1 1 1 -26 9   43 o 17.358  8.1906  46.773     90.050   217.650    242.512  19.444     96.984   19.769  10.012  16.585  8.0048  3.184776       12.81825 
1 1 1 -26 9   44 o 16.048  7.7917  14.794     95.286   221.494    269.100  -14.8371   101.888  ?       ?       15.478  7.6263  0.000000       7.626314 
1 1 1 -26 10  1  o 55.998  6.5581  454.322    87.419   384.409    134.853  504.997    114.810  42.318  12.360  55.770  8.7740  -13.45274      15.15773 
1 1 1 -26 10  2  o 66.226  5.5335  604.824    88.104   572.510    123.322  638.510    125.913  59.390  8.8262  63.490  8.3780  -4.099998      12.16932 
1 1 1 -26 10  3  o 48.280  6.8201  341.575    77.671   346.129    103.772  335.774    117.122  44.633  9.8463  41.436  11.326  3.196838       15.00738 
1 1 1 -26 10  4  o 19.520  8.7412  23.972     85.314   27.025     169.579  22.938     98.717   23.046  10.980  20.235  9.1993  2.811716       14.32472 
1 1 1 -26 10  5  f 25.554  9.9195  116.179    88.041   122.605    173.495  113.951    102.174  25.847  11.916  25.262  10.382  0.5859013      15.80434 
1 1 1 -26 10  6  o 21.439  9.2147  56.676     86.364   74.383     170.864  50.600     100.091  24.405  11.442  21.646  9.5944  2.758976       14.93255 
1 1 1 -26 10  7  o 14.994  6.9726  -24.0688   61.354   4.9801     82.119   -60.7729   92.307   18.378  8.3689  16.592  7.9581  1.786140       11.54860 
1 1 1 -26 10  8  o 17.916  7.8228  21.312     64.266   61.715     91.153   -18.6198   90.620   21.922  9.4450  17.977  8.3977  3.945683       12.63839 
1 1 1 -26 10  9  o 16.025  7.2384  -2.2693    59.930   -13.6445   85.765   8.5849     83.778   17.803  8.2670  18.671  8.4830  -0.8680172     11.84506 
1 1 1 -26 10  10 o 13.621  6.4866  -47.2948   59.019   -102.5750  84.797   4.6455     82.195   14.627  7.1558  18.356  8.3641  -3.729067      11.00747 
1 1 1 -26 10  11 o 33.517  8.4550  182.926    68.755   135.081    98.996   227.511    95.563   26.710  10.477  34.774  10.468  -8.064207      14.81011 
1 1 1 -26 10  12 o 16.672  7.5152  1.9025     64.218   55.214     91.485   -49.8813   90.165   21.497  9.3613  16.739  7.9839  4.758642       12.30353 
1 1 1 -26 10  13 o 45.442  7.1312  307.869    76.041   442.270    113.117  197.059    102.711  51.250  9.4444  31.214  10.957  20.03624       14.46558 
1 1 1 -26 10  14 o 60.903  5.9601  522.014    86.947   486.603    127.073  553.185    119.224  52.172  10.403  58.620  8.6413  -6.448406      13.52390 
1 1 1 -26 10  15 o 59.965  6.0081  508.030    86.242   525.197    125.578  492.706    118.646  55.322  9.7093  54.082  9.3814  1.239483       13.50120 
1 1 1 -26 10  16 o 19.684  8.2273  47.111     65.688   142.861    102.643  -19.3075   85.487   26.837  10.623  17.387  8.1332  9.450060       13.37863 
1 1 1 -26 10  17 o 51.005  6.7754  383.672    81.777   451.910    122.638  329.038    109.735  49.725  10.494  41.484  10.797  8.240280       15.05697 
1 1 1 -26 10  18 o 24.142  10.270  104.145    105.306  117.035    125.010  72.648     195.417  24.817  10.871  24.006  11.531  0.8105545      15.84776 
1 1 1 -26 10  19 o 20.352  9.4490  21.234     111.948  21.234     111.948  0.0000     0.0000   20.352  9.4490  ?       ?       0.000000       9.449028 
1 1 1 -26 10  20 o 19.472  9.1683  0.0014     111.714  0.0014     111.714  0.0000     0.0000   19.472  9.1683  ?       ?       0.000000       9.168322 
1 1 1 -26 10  21 o 40.617  12.711  396.699    139.189  396.699    139.189  0.0000     0.0000   40.617  12.711  ?       ?       0.000000       12.71080 
1 1 1 -26 10  22 o 92.223  5.3529  1186.06    119.267  1107.31    172.336  1258.44    165.227  80.324  8.9969  89.042  7.7241  -8.717796      11.85768 
1 1 1 -26 10  23 o 53.015  6.6940  424.254    84.190   560.047    138.805  345.224    105.891  52.593  11.219  41.963  10.442  10.63029       15.32665 
1 1 1 -26 10  24 o 25.477  9.0843  124.073    70.849   26.707     123.748  171.551    86.413   20.179  9.5459  28.571  10.049  -8.392124      13.86026 
1 1 1 -26 10  25 o 15.102  7.0217  -11.5165   62.182   10.247     112.757  -21.0274   74.541   19.080  9.0513  15.752  7.4387  3.327955       11.71580 
1 1 1 -26 10  26 o 20.126  8.9336  60.574     87.091   166.128    218.513  40.640     94.959   23.541  11.511  19.380  8.8905  4.161781       14.54433 
1 1 1 -26 10  27 o 21.181  9.3218  83.146     92.869   287.708    225.108  41.188     101.950  25.228  12.181  19.410  9.0133  5.818493       15.15333 
1 1 1 -26 10  28 o 31.973  9.1751  201.674    74.899   145.859    110.158  249.663    102.142  23.902  10.340  31.746  10.939  -7.844658      15.05250 
1 1 1 -26 10  29 o 29.162  9.3078  177.536    74.312   158.252    109.407  194.053    101.252  24.236  10.393  27.075  10.602  -2.839201      14.84643 
1 1 1 -26 10  30 o 32.271  9.3722  216.311    77.731   302.552    113.525  140.193    106.654  32.919  11.521  23.045  10.069  9.873760       15.30159 
1 1 1 -26 10  31 o 27.827  9.6972  180.889    80.379   203.982    125.668  164.900    104.566  24.758  10.871  24.122  10.247  0.6357517      14.93943 
1 1 1 -26 10  32 o 18.577  8.6463  51.974     94.667   0.0000     0.0000   51.974     94.667   ?       ?       18.577  8.6463  0.000000       8.646255 
1 1 1 -26 10  33 o 16.309  7.7654  4.6182     84.521   0.0000     0.0000   4.6182     84.521   ?       ?       16.309  7.7654  0.000000       7.765440 
1 1 1 -26 10  34 o 17.091  7.7247  38.669     68.380   72.670     100.700  9.5765     93.148   19.136  8.9100  16.732  8.0170  2.403597       11.98583 
1 1 1 -26 10  35 o 12.633  6.1229  -42.0925   58.188   -76.5483   78.337   0.3171     86.910   13.336  6.5927  16.126  7.7312  -2.789598      10.16046 
1 1 1 -26 10  36 o 12.802  6.3683  -95.6870   77.608   -92.3105   81.657   -127.2252  249.563  13.195  6.5589  ?       ?       0.000000       6.558917 
1 1 1 -26 10  37 o 17.321  8.2187  28.772     93.090   -5.5901    100.597  233.574    245.589  16.488  8.0054  20.966  10.556  -4.478146      13.24786 
1 1 1 -26 10  38 o 17.899  7.7706  54.066     62.648   133.206    83.749   -46.4854   94.401   22.730  9.3769  15.164  7.4456  7.566204       11.97345 
1 1 1 -26 10  39 o 19.649  8.2051  78.670     65.248   15.825     86.938   159.723    98.733   16.688  7.9257  23.308  9.9306  -6.619593      12.70565 
1 1 1 -26 10  40 o 16.178  7.3717  27.141     63.848   -23.9452   87.869   84.283     92.932   15.347  7.4582  19.467  8.8795  -4.120618      11.59607 
1 1 1 -26 10  41 o 26.225  10.696  232.144    107.436  638.887    245.476  135.773    119.487  25.885  12.553  20.759  9.6792  5.125803       15.85166 
1 1 1 -26 10  42 o 12.750  6.3441  -86.4589   77.208   0.0019     199.077  -101.7663  83.765   17.760  9.0020  12.890  6.4441  4.869536       11.07073 
1 1 1 -26 10  43 o 21.282  9.5693  158.189    103.367  -16.9468   245.367  195.977    113.974  ?       ?       22.249  10.022  0.000000       10.02194 
1 1 1 -26 11  1  o 13.986  6.6488  -44.1418   61.476   105.508    90.294   -173.4541  83.935   24.457  9.8672  12.775  6.3957  11.68172       11.75872 
1 1 1 -26 11  2  o 24.800  9.8227  109.215    87.820   4.0009     205.757  132.651    97.110   23.142  11.284  26.340  10.362  -3.198013      15.31964 
1 1 1 -26 11  3  o 29.706  10.280  169.465    90.249   139.654    181.284  179.288    104.061  26.089  12.081  29.564  10.941  -3.475962      16.29893 
1 1 1 -26 11  4  o 37.208  10.524  260.569    99.265   566.354    184.625  136.230    117.730  46.668  14.645  26.272  11.000  20.39667       18.31615 
1 1 1 -26 11  5  o 45.419  10.089  364.872    108.292  321.290    198.392  383.368    129.245  32.042  13.869  43.289  11.924  -11.24759      18.29048 
1 1 1 -26 11  6  o 22.802  8.6875  82.673     66.656   1.8381     93.997   164.438    94.537   18.974  8.7557  29.061  10.479  -10.08753      13.65572 
1 1 1 -26 11  7  o 38.304  8.0497  231.421    72.439   203.149    99.603   263.165    105.543  31.981  10.806  36.633  10.995  -4.651773      15.41637 
1 1 1 -26 11  8  o 36.361  8.3975  213.768    72.593   145.290    100.007  290.034    105.540  27.307  10.580  39.082  10.780  -11.77495      15.10413 
1 1 1 -26 11  9  o 39.577  7.8249  243.592    72.480   172.249    101.982  316.407    103.029  29.231  10.828  41.916  10.222  -12.68560      14.89091 
1 1 1 -26 11  10 o 74.863  9.9816  971.891    176.796  617.843    337.384  1105.91    207.578  33.350  15.772  76.173  11.597  -42.82260      19.57682 
1 1 1 -26 11  11 o 34.846  8.3950  197.559    70.139   245.254    101.356  153.731    97.160   35.453  10.805  27.979  10.529  7.473282       15.08652 
1 1 1 -26 11  12 o 38.866  12.423  337.612    132.337  190.191    269.514  384.448    151.912  26.988  13.103  39.481  13.345  -12.49340      18.70260 
1 1 1 -26 11  13 o 12.763  6.2183  -78.4001   62.146   -143.6851  85.185   -4.1185    90.865   13.545  6.7269  18.422  8.5389  -4.877451      10.87032 
1 1 1 -26 11  14 o 14.798  6.9175  -26.4831   61.660   38.547     96.208   -71.8160   80.327   20.611  9.2526  14.993  7.2485  5.618529       11.75373 
1 1 1 -26 11  15 o 19.569  8.1104  48.092     63.068   -52.4755   94.012   130.389    85.044   16.798  8.0499  26.374  9.8648  -9.576048      12.73244 
1 1 1 -26 11  16 o 19.734  8.2625  48.850     66.412   34.415     101.824  59.537     87.612   20.544  9.3410  21.269  9.2112  -0.7250137     13.11872 
1 1 1 -26 11  17 o 24.347  10.192  109.599    101.009  101.777    110.600  148.921    247.984  23.906  10.351  25.586  12.456  -1.679991      16.19595 
1 1 1 -26 11  18 o 51.175  10.318  481.083    123.694  438.212    142.811  609.833    247.488  43.687  12.708  37.208  15.783  6.479012       20.26351 
1 1 1 -26 11  19 o 39.098  12.680  371.141    137.488  371.141    137.488  0.0000     0.0000   39.098  12.680  ?       ?       0.000000       12.67972 
1 1 1 -26 11  20 o 30.275  11.918  234.296    128.560  234.296    128.560  0.0000     0.0000   30.275  11.918  ?       ?       0.000000       11.91850 
1 1 1 -26 11  21 o 42.376  8.6875  306.230    86.327   361.215    132.953  266.151    113.509  38.266  12.472  33.840  11.535  4.426613       16.98861 
1 1 1 -26 11  22 o 22.331  8.7753  88.019     69.575   128.682    123.759  69.229     84.129   24.194  10.699  21.045  9.0704  3.148649       14.02622 
1 1 1 -26 11  23 o 20.166  8.3920  63.048     67.920   168.169    123.376  17.336     81.358   25.812  11.052  17.991  8.2445  7.821377       13.78821 
1 1 1 -26 11  24 o 22.410  8.7095  92.540     67.934   129.286    120.905  75.586     82.123   23.687  10.520  21.051  9.0152  2.635185       13.85410 
1 1 1 -26 11  25 o 25.227  9.8774  140.977    87.874   419.880    208.864  80.989     96.865   29.673  13.448  21.251  9.4280  8.421492       16.42337 
1 1 1 -26 11  26 f 23.525  9.5148  119.214    84.184   -80.3198   208.348  158.146    92.031   19.488  9.7996  25.932  10.121  -6.444094      14.08761 
1 1 1 -26 11  27 o 19.100  8.2253  56.842     69.070   43.501     126.333  62.530     82.490   19.762  9.4327  19.688  8.7192  0.7355690E-01  12.84522 
1 1 1 -26 11  28 o 36.110  9.0156  251.551    78.750   272.634    122.439  236.676    102.845  29.766  11.658  29.978  10.912  -0.2123260     15.96780 
1 1 1 -26 11  29 o 18.613  8.0638  55.349     67.184   123.547    96.200   -9.5844    93.869   22.468  9.6914  16.681  8.0074  5.786259       12.57143 
1 1 1 -26 11  30 o 14.616  6.9561  -18.4277   67.652   -69.6997   102.337  21.372     90.164   15.352  7.5790  17.422  8.2131  -2.070039      11.17564 
1 1 1 -26 11  31 o 13.170  6.5549  -103.4950  82.686   0.0000     0.0000   -103.4950  82.686   ?       ?       13.170  6.5549  0.000000       6.554851 
1 1 1 -26 11  32 o 16.973  8.0617  18.139     89.986   0.0000     0.0000   18.139     89.986   ?       ?       16.973  8.0617  0.000000       8.061679 
1 1 1 -26 11  33 f 18.540  8.6111  60.383     93.118   62.069     344.240  60.249     96.724   ?       ?       18.569  8.6749  0.000000       8.674860 
1 1 1 -26 11  34 o 13.669  6.5413  -22.7760   61.586   25.219     86.801   -71.4291   87.394   16.959  8.0141  14.069  6.9565  2.889713       10.61225 
1 1 1 -26 11  35 o 19.049  8.8183  75.137     96.479   75.137     96.479   0.0000     0.0000   19.049  8.8183  ?       ?       0.000000       8.818307 
1 1 1 -26 11  36 o 12.885  6.4597  -124.6285  86.988   -165.7995  92.161   211.490    263.330  12.533  6.3290  20.463  10.370  -7.930190      12.14901 
1 1 1 -26 11  37 o 14.193  6.9705  -55.5323   82.873   -61.4594   87.183   0.0010     266.863  14.317  7.0543  ?       ?       0.000000       7.054264 
1 1 1 -26 11  38 o 22.760  8.7568  118.958    68.143   13.288     91.375   251.365    102.284  16.708  7.9881  28.939  10.820  -12.23087      13.44900 
1 1 1 -26 11  39 o 15.400  7.0319  18.495     58.482   64.155     80.902   -31.4777   84.636   18.487  8.3746  14.925  7.2682  3.562144       11.08871 
1 1 1 -26 11  40 o 15.600  7.4964  -3.1274    82.766   34.825     203.050  -10.6897   90.638   18.499  9.3478  15.713  7.6220  2.786549       12.06132 
1 1 1 -26 11  41 o 20.219  9.0638  112.457    91.979   267.868    220.546  79.735     101.201  20.649  10.342  18.656  8.7659  1.992979       13.55758 
1 1 1 -26 11  42 o 24.656  10.444  231.448    108.119  178.773    251.881  243.346    119.709  ?       ?       23.925  10.554  0.000000       10.55400 
1 1 1 -26 12  1  o 88.567  7.4615  1196.28    158.854  1296.28    287.602  1152.38    190.559  64.314  17.817  81.113  9.8868  -16.79930      20.37611 
1 1 1 -26 12  2  o 40.882  10.789  320.132    108.580  504.472    228.271  266.227    123.439  36.372  15.278  34.183  12.011  2.189381       19.43446 
1 1 1 -26 12  3  o 31.437  10.495  194.411    93.949   265.397    186.874  170.402    108.682  29.931  13.196  28.450  11.027  1.480886       17.19691 
1 1 1 -26 12  4  o 19.299  8.1419  42.342     65.285   -20.6149   94.346   100.183    90.431   17.989  8.4561  24.067  9.8143  -6.077869      12.95477 
1 1 1 -26 12  5  o 65.253  5.7760  595.865    90.508   633.557    127.571  557.665    128.428  62.579  8.6313  57.082  9.6141  5.496582       12.92011 
1 1 1 -26 12  6  o 38.220  8.3718  236.413    75.489   216.343    108.179  255.461    105.390  32.038  11.245  35.690  11.043  -3.652077      15.76045 
1 1 1 -26 12  7  o 20.941  9.0342  53.714     83.623   228.234    128.308  -75.1504   110.255  31.263  12.019  17.402  8.4329  13.86119       14.68241 
1 1 1 -26 12  8  o 37.234  8.6433  228.821    76.586   146.057    105.565  320.784    111.278  26.974  10.742  40.657  11.009  -13.68324      15.38183 
1 1 1 -26 12  9  o 67.195  5.6315  627.841    90.971   574.937    127.582  682.560    129.751  58.469  9.3047  65.409  8.3671  -6.940609      12.51349 
1 1 1 -26 12  10 o 16.223  7.3296  0.5028     61.502   -137.3559  90.408   119.255    83.909   14.181  7.0232  25.569  9.7459  -11.38778      12.01278 
1 1 1 -26 12  11 o 22.263  8.4959  78.717     63.814   52.334     89.891   105.521    90.605   21.039  9.2172  24.380  9.8674  -3.341536      13.50265 
1 1 1 -26 12  12 o 41.544  7.7058  268.752    74.817   197.394    106.488  338.313    105.138  30.472  11.101  43.093  10.212  -12.62129      15.08361 
1 1 1 -26 12  13 o 87.871  5.1460  1053.35    109.240  1001.50    152.244  1108.37    156.835  79.852  7.9638  84.557  7.7296  -4.704575      11.09818 
1 1 1 -26 12  14 o 91.184  5.0877  1132.86    112.118  1061.29    158.465  1204.61    158.652  81.793  8.0907  88.752  7.4358  -6.958595      10.98863 
1 1 1 -26 12  15 o 48.908  7.4389  368.276    85.495   331.784    119.561  406.461    122.302  39.516  11.666  45.419  11.174  -5.903484      16.15411 
1 1 1 -26 12  16 f 37.401  11.415  297.087    113.067  223.344    125.016  628.474    265.015  30.367  11.811  36.037  15.806  -5.669861      19.73179 
1 1 1 -26 12  17 o 20.121  9.1337  35.842     96.844   26.529     105.120  88.094     249.003  20.073  9.2617  24.182  11.916  -4.108358      15.09225 
1 1 1 -26 12  18 o 25.523  10.719  140.163    112.307  140.163    112.307  0.0000     0.0000   25.523  10.719  ?       ?       0.000000       10.71860 
1 1 1 -26 12  19 f 20.780  9.3747  52.618     100.187  52.618     100.187  0.0000     0.0000   20.780  9.3747  ?       ?       0.000000       9.374743 
1 1 1 -26 12  20 o 35.770  9.9594  248.089    89.630   197.671    135.442  287.370    119.551  27.261  11.623  34.415  11.836  -7.153463      16.58884 
1 1 1 -26 12  21 o 34.894  9.5868  231.924    83.665   128.044    130.982  303.519    108.739  23.929  10.764  37.175  11.161  -13.24627      15.50610 
1 1 1 -26 12  22 o 19.678  8.2847  57.633     67.365   95.576     122.025  41.000     80.793   22.387  10.197  19.089  8.5304  3.298355       13.29473 
1 1 1 -26 12  23 o 37.732  9.0559  261.511    81.855   162.598    130.430  325.782    105.137  24.809  10.976  39.066  10.752  -14.25716      15.36549 
1 1 1 -26 12  24 o 17.979  8.1830  27.284     78.395   -35.7707   209.401  37.563     84.543   20.214  10.118  18.745  8.5187  1.468893       13.22619 
1 1 1 -26 12  25 o 14.883  7.1251  -33.3461   73.229   -58.3239   194.688  -29.2300   79.032   19.394  9.7141  15.487  7.4110  3.906484       12.21829 
1 1 1 -26 12  26 o 16.965  7.7794  18.649     72.601   -75.2231   216.466  30.547     77.065   19.330  9.7537  17.777  8.0997  1.553041       12.67827 
1 1 1 -26 12  27 o 17.665  7.7873  40.011     65.059   69.013     115.193  26.427     78.837   20.070  9.4053  17.490  8.0521  2.580296       12.38122 
1 1 1 -26 12  28 o 35.732  8.7499  244.922    75.256   181.272    124.551  281.519    94.445   24.008  10.669  34.909  10.384  -10.90094      14.88784 
1 1 1 -26 12  29 o 20.315  8.2718  81.516     64.116   52.694     118.148  93.547     76.334   19.064  9.1057  20.884  8.8070  -1.820234      12.66793 
1 1 1 -26 12  30 o 15.002  7.2889  -35.0464   83.807   0.0000     0.0000   -35.0464   83.807   ?       ?       15.002  7.2889  0.000000       7.288935 
1 1 1 -26 12  31 o 13.533  6.7033  -82.5577   82.474   0.0000     0.0000   -82.5577   82.474   ?       ?       13.533  6.7033  0.000000       6.703267 
1 1 1 -26 12  32 o 21.700  9.4212  126.919    92.100   72.121     340.498  131.245    95.666   ?       ?       21.770  9.5238  0.000000       9.523756 
1 1 1 -26 12  33 o 12.508  6.1149  -53.8041   61.613   -0.0157    87.580   -106.5107  86.694   16.042  7.7094  13.203  6.5938  2.838629       10.14457 
1 1 1 -26 12  34 o 19.890  8.8578  93.086     86.311   55.262     90.797   447.776    278.042  18.123  8.4458  22.255  11.208  -4.131426      14.03360 
1 1 1 -26 12  35 o 15.599  7.5473  -13.0962   87.471   -54.5631   92.308   351.729    273.800  14.713  7.2513  21.435  10.833  -6.722034      13.03615 
1 1 1 -26 12  36 o 19.491  8.9450  86.530     96.255   39.912     101.325  517.703    308.153  17.770  8.4725  22.322  11.302  -4.551893      14.12523 
1 1 1 -26 12  37 o 19.963  8.2987  84.825     66.316   160.153    88.864   -9.8569    99.628   23.948  9.7432  16.255  7.9092  7.693604       12.54933 
1 1 1 -26 12  38 o 11.526  5.6795  -67.8154   56.559   -68.6700   77.946   -66.8651   82.196   13.426  6.6255  13.775  6.7989  -0.3491240     9.493298 
1 1 1 -26 12  39 o ?       ?       -246.0392  71.322   -560.6506  191.298  -195.2460  76.864   ?       ?       10.765  5.4704  0.000000       5.470369 
1 1 1 -26 12  40 o 19.845  9.0801  109.011    98.154   -289.2068  235.795  192.477    107.952  ?       ?       23.266  10.149  0.000000       10.14914 
1 1 1 -26 12  41 o 16.475  7.9208  28.802     92.672   -134.1832  230.192  60.327     101.238  ?       ?       17.589  8.4090  0.000000       8.409034 
1 1 1 -26 13  1  o 26.240  10.333  136.808    96.655   180.760    211.498  125.205    108.666  26.360  12.473  25.213  10.564  1.147289       16.34519 
1 1 1 -26 13  2  o 23.803  9.7687  99.623     90.308   64.322     202.937  108.340    100.843  23.840  11.525  24.330  10.184  -0.4895592     15.37949 
1 1 1 -26 13  3  o 22.997  8.7787  87.819     68.146   134.998    97.607   42.952     95.185   26.183  10.360  20.653  9.2420  5.530161       13.88348 
1 1 1 -26 13  4  o 17.346  7.6986  15.470     64.649   44.201     91.619   -13.0225   91.237   20.586  9.1492  17.966  8.4035  2.619986       12.42285 
1 1 1 -26 13  5  o 13.109  6.3400  -65.3806   61.574   -27.5193   87.130   -103.1532  87.028   17.107  8.0672  14.668  7.1914  2.438290       10.80727 
1 1 1 -26 13  6  f 16.192  7.4050  -5.5003    65.174   3.3434     92.585   -14.1873   91.760   18.739  8.6622  17.970  8.4125  0.7692909      12.07492 
1 1 1 -26 13  7  o 16.979  7.6595  6.0094     66.861   19.234     94.346   -7.3333    94.767   19.530  8.9230  18.440  8.6052  1.089725       12.39632 
1 1 1 -26 13  8  o 19.985  8.3922  50.579     68.837   54.431     95.471   46.409     99.346   21.270  9.4017  21.011  9.4191  0.2589092      13.30835 
1 1 1 -26 13  9  o 24.656  8.9874  105.875    69.807   138.996    97.815   71.496     99.656   26.469  10.404  22.266  9.7312  4.202892       14.24551 
1 1 1 -26 13  10 o 30.579  9.0328  164.316    71.663   169.855    106.477  159.729    96.892   28.252  10.925  28.024  10.520  0.2280197      15.16664 
1 1 1 -26 13  11 o 23.087  8.7408  89.277     67.209   19.404     97.913   151.530    92.421   19.645  9.0180  27.569  10.289  -7.923990      13.68189 
1 1 1 -26 13  12 o 21.577  8.4684  73.056     64.718   72.714     91.251   73.402     91.801   22.025  9.4694  22.076  9.4949  -0.5171013E-01 13.40977 
1 1 1 -26 13  13 o 21.363  8.5238  70.834     66.577   194.347    94.045   -53.2572   94.264   30.920  10.500  16.645  7.9988  14.27556       13.19965 
1 1 1 -26 13  14 o 81.678  5.2727  921.315    103.938  873.396    144.901  972.099    149.172  73.423  8.2779  78.137  7.9801  -4.713631      11.49807 
1 1 1 -26 13  15 o 74.290  8.4198  905.514    149.094  805.451    170.282  1234.22    308.626  63.803  11.419  51.736  18.891  12.06694       22.07413 
1 1 1 -26 13  16 o 42.009  11.197  362.460    116.209  417.471    128.457  114.555    272.694  44.200  11.769  24.381  12.096  19.81880       16.87641 
1 1 1 -26 13  17 o 23.704  10.321  109.703    111.171  109.703    111.171  0.0000     0.0000   23.704  10.321  ?       ?       0.000000       10.32087 
1 1 1 -26 13  18 o 32.110  11.479  246.015    113.191  246.015    113.191  0.0000     0.0000   32.110  11.479  ?       ?       0.000000       11.47885 
1 1 1 -26 13  19 o 20.547  9.6844  35.167     125.241  35.167     125.241  0.0000     0.0000   20.547  9.6844  ?       ?       0.000000       9.684379 
1 1 1 -26 13  20 o 21.071  8.8345  74.460     76.090   98.350     125.928  60.722     95.493   22.585  10.315  20.601  9.2350  1.984144       13.84501 
1 1 1 -26 13  21 o 19.072  8.0812  51.527     64.762   117.983    128.235  28.775     75.034   23.100  10.495  18.083  8.1396  5.017761       13.28189 
1 1 1 -26 13  22 o 30.884  9.0733  182.992    72.481   143.168    130.635  200.703    87.120   23.793  10.722  30.431  10.105  -6.637604      14.73332 
1 1 1 -26 13  23 o 14.484  6.9618  -41.3574   71.475   -231.9519  200.561  -13.6302   76.497   17.689  8.9734  15.953  7.5340  1.736760       11.71677 
1 1 1 -26 13  24 o 19.239  8.5618  54.536     80.487   -59.9520   211.791  73.862     87.016   19.563  9.8431  20.398  8.9980  -0.8341064     13.33610 
1 1 1 -26 13  25 f 21.784  9.1312  99.515     81.256   414.628    223.750  51.644     87.210   26.795  12.722  19.061  8.6583  7.734024       15.38912 
1 1 1 -26 13  26 o 19.015  7.9846  61.180     62.308   23.291     116.550  76.342     73.728   18.553  8.9101  20.118  8.5767  -1.565371      12.36727 
1 1 1 -26 13  27 o 22.267  8.7276  105.377    68.661   32.990     124.142  137.279    82.413   18.763  9.0562  23.914  9.5017  -5.150978      13.12623 
1 1 1 -26 13  28 o 16.668  7.3907  33.407     59.446   -164.7577  113.642  108.059    69.750   14.149  7.1304  22.188  8.7649  -8.039084      11.29892 
1 1 1 -26 13  29 o 18.608  8.4508  60.365     83.024   0.0000     0.0000   60.365     83.024   ?       ?       18.608  8.4508  0.000000       8.450845 
1 1 1 -26 13  30 o 26.090  10.032  187.443    89.392   0.0000     0.0000   187.443    89.392   ?       ?       26.090  10.032  0.000000       10.03176 
1 1 1 -26 13  31 o 17.823  8.2888  48.395     86.725   0.0000     0.0000   48.395     86.725   ?       ?       17.823  8.2888  0.000000       8.288831 
1 1 1 -26 13  32 o 16.620  7.5740  34.410     67.420   -76.5484   98.067   133.855    92.840   14.500  7.2042  21.823  9.4667  -7.322844      11.89618 
1 1 1 -26 13  33 o 22.144  8.8509  118.789    71.914   140.087    100.175  96.142     103.300  21.706  9.6109  19.652  9.1071  2.054855       13.24042 
1 1 1 -26 13  34 o 15.015  7.3088  -26.8609   85.305   -33.0835   89.730   31.599     275.029  15.072  7.3710  ?       ?       0.000000       7.370967 
1 1 1 -26 13  35 o 22.678  9.9145  161.691    103.519  186.977    110.991  -7.3735    286.996  23.443  10.257  ?       ?       0.000000       10.25701 
1 1 1 -26 13  36 o 40.199  8.5515  316.413    80.845   398.195    108.768  215.454    120.850  39.420  10.970  24.114  10.623  15.30598       15.27000 
1 1 1 -26 13  37 o 22.513  8.7504  119.540    68.580   144.448    91.603   87.774     103.448  22.473  9.5698  19.340  9.0136  3.132744       13.14631 
1 1 1 -26 13  38 o 16.161  7.7792  6.8961     90.082   -0.0009    215.843  8.3508     99.128   18.114  9.2009  16.502  7.9966  1.612690       12.19024 
1 1 1 -26 13  39 o ?       ?       -295.7327  59.284   -423.2094  173.344  -278.8473  63.088   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 13  40 o 14.999  7.2793  -7.9396    82.959   -43.3455   207.886  -1.2333    90.475   ?       ?       15.489  7.5369  0.000000       7.536865 
1 1 1 -26 14  1  o 45.256  7.4863  318.281    79.333   319.973    120.570  316.990    105.351  38.029  11.819  40.435  10.606  -2.406250      15.87992 
1 1 1 -26 14  2  o 25.034  8.7562  109.789    65.566   30.463     92.033   191.543    93.432   19.738  8.9375  30.692  10.465  -10.95394      13.76248 
1 1 1 -26 14  3  o 22.593  8.7256  84.868     67.857   47.935     98.972   117.630    93.215   20.885  9.3793  24.854  10.026  -3.969658      13.72940 
1 1 1 -26 14  4  o 18.824  8.0536  38.383     65.426   85.117     97.932   0.7101     87.927   22.816  9.8097  18.196  8.4216  4.620338       12.92883 
1 1 1 -26 14  5  o 27.705  9.1104  138.146    70.883   119.993    99.452   156.889    101.054  24.944  10.246  27.422  10.632  -2.477930      14.76542 
1 1 1 -26 14  6  o 27.455  9.1403  136.053    71.269   196.889    99.710   72.511     101.904  30.643  10.793  22.216  9.7713  8.426912       14.55891 
1 1 1 -26 14  7  o 22.689  8.8369  85.828     70.054   71.679     97.951   100.642    100.232  22.080  9.6488  23.735  10.055  -1.655470      13.93576 
1 1 1 -26 14  8  o 19.595  8.3802  45.621     70.791   3.8463     98.303   90.621     102.027  18.948  8.8161  23.153  9.9838  -4.205177      13.31915 
1 1 1 -26 14  9  o 18.681  8.1945  31.462     71.242   -71.1349   99.201   140.737    102.378  16.476  7.9878  26.169  10.525  -9.693157      13.21273 
1 1 1 -26 14  10 o 16.418  7.5237  -3.3514    67.751   -99.8628   97.479   86.839     94.233   15.549  7.6208  22.793  9.7061  -7.243617      12.34038 
1 1 1 -26 14  11 o 53.379  6.7398  424.815    85.347   387.558    118.542  464.913    122.978  44.128  11.086  49.776  10.512  -5.647984      15.27717 
1 1 1 -26 14  12 o 36.164  8.8315  225.410    76.825   278.698    109.235  173.253    108.068  36.104  11.254  27.896  10.945  8.208809       15.69848 
1 1 1 -26 14  13 o 23.553  8.9635  98.430     70.909   139.484    100.785  58.188     99.785   25.833  10.424  21.175  9.4702  4.657969       14.08343 
1 1 1 -26 14  14 o 15.563  7.5441  -67.7047   88.394   -43.0634   96.385   -198.0967  221.719  16.937  8.1259  19.744  9.9513  -2.806484      12.84752 
1 1 1 -26 14  15 o 27.136  10.885  169.032    109.199  212.149    122.614  3.6992     240.102  29.041  11.574  22.416  11.159  6.624308       16.07715 
1 1 1 -26 14  16 o 28.130  11.297  195.719    117.763  195.719    117.763  0.0000     0.0000   28.130  11.297  ?       ?       0.000000       11.29692 
1 1 1 -26 14  17 o 22.216  9.7248  87.819     99.882   87.819     99.882   0.0000     0.0000   22.216  9.7248  ?       ?       0.000000       9.724796 
1 1 1 -26 14  18 o 22.327  10.264  90.766     127.465  90.766     127.465  0.0000     0.0000   22.327  10.264  ?       ?       0.000000       10.26388 
1 1 1 -26 14  19 o 21.222  8.8911  78.437     76.972   105.000    132.531  64.916     94.554   22.640  10.429  20.647  9.2272  1.993568       13.92527 
1 1 1 -26 14  20 o 27.581  9.1181  149.740    70.969   80.836     129.217  179.502    84.924   21.553  10.055  28.824  9.9719  -7.270651      14.16117 
1 1 1 -26 14  21 o 30.589  9.3151  186.268    75.352   224.770    133.182  168.141    91.385   27.152  11.550  26.885  10.189  0.2677059      15.40212 
1 1 1 -26 14  22 o 17.638  8.0847  23.839     78.290   222.271    271.838  5.8907     81.754   23.180  11.591  17.012  7.9567  6.167437       14.05902 
1 1 1 -26 14  23 o 14.105  6.8392  -51.5443   72.768   -180.8305  242.699  -38.7739   76.277   ?       ?       14.829  7.1431  0.000000       7.143053 
1 1 1 -26 14  24 o 18.391  8.2186  46.570     74.996   93.702     215.010  40.042     80.022   21.064  10.498  18.200  8.2775  2.863897       13.36859 
1 1 1 -26 14  25 f 20.301  8.5222  80.099     70.947   135.311    126.897  54.994     85.570   22.106  10.191  18.892  8.5797  3.213140       13.32184 
1 1 1 -26 14  26 o 22.264  8.8563  108.800    71.673   341.610    125.509  -3.8588    87.309   32.618  12.026  16.368  7.8206  16.25076       14.34563 
1 1 1 -26 14  27 o 14.434  6.7314  -2.6935    57.836   -155.8746  119.128  44.548     66.156   14.527  7.3185  17.537  7.7853  -3.009893      10.68510 
1 1 1 -26 14  28 o 16.292  7.5685  19.990     71.994   103.417    140.283  -9.8390    83.883   20.034  9.6592  15.698  7.5443  4.336041       12.25635 
1 1 1 -26 14  29 o 17.165  8.0195  34.047     82.678   0.0000     0.0000   34.047     82.678   ?       ?       17.165  8.0195  0.000000       8.019470 
1 1 1 -26 14  30 o 15.622  7.5319  -7.9295    85.274   0.0000     0.0000   -7.9295    85.274   ?       ?       15.622  7.5319  0.000000       7.531915 
1 1 1 -26 14  31 o 16.083  7.4803  22.540     70.663   -23.9148   122.118  45.924     86.641   16.500  8.1701  17.554  8.2040  -1.053801      11.57827 
1 1 1 -26 14  32 o 29.282  9.4271  203.768    76.104   268.486    105.827  134.454    109.521  28.815  10.954  20.920  9.5792  7.894178       14.55166 
1 1 1 -26 14  33 o 19.661  8.9663  96.012     94.715   97.783     99.441   78.698     310.898  19.657  9.0473  ?       ?       0.000000       9.047302 
1 1 1 -26 14  34 o 18.299  8.5162  62.996     91.806   67.123     96.999   27.525     284.380  18.485  8.6523  ?       ?       0.000000       8.652304 
1 1 1 -26 14  35 o 36.222  9.1329  278.362    80.250   277.079    111.686  279.730    115.384  28.542  11.147  28.091  11.217  0.4508801      15.81359 
1 1 1 -26 14  36 o 16.480  7.4963  34.433     65.656   7.9859     88.795   66.333     97.521   16.204  7.7806  18.444  8.6464  -2.239880      11.63183 
1 1 1 -26 14  37 o 15.316  7.4250  -12.5939   85.670   108.950    268.584  -26.3605   90.392   ?       ?       15.142  7.4037  0.000000       7.403651 
1 1 1 -26 14  38 o 17.873  8.4582  61.437     97.323   12.841     259.556  69.387     104.982  ?       ?       18.165  8.6506  0.000000       8.650572 
1 1 1 -26 14  39 o 19.093  8.9178  105.951    102.129  264.995    274.584  80.417     110.023  ?       ?       18.137  8.6963  0.000000       8.696255 
1 1 1 -26 14  40 o 16.167  7.8202  31.510     93.768   -23.9411   239.921  41.507     101.871  ?       ?       16.565  8.0457  0.000000       8.045682 
1 1 1 -26 15  1  o 49.594  6.6884  367.927    78.432   391.520    110.845  344.272    110.994  45.698  10.249  41.439  10.895  4.259674       14.95800 
1 1 1 -26 15  2  o 44.204  7.1332  299.603    73.905   338.540    104.793  261.073    104.244  42.222  10.317  35.198  10.998  7.024055       15.07923 
1 1 1 -26 15  3  o 22.816  8.6504  88.852     65.886   39.269     90.544   144.652    96.052   19.962  8.9676  26.442  10.334  -6.479797      13.68246 
1 1 1 -26 15  4  o 41.887  7.4973  274.584    73.401   316.765    103.646  232.143    103.964  40.513  10.469  32.791  11.040  7.722645       15.21441 
1 1 1 -26 15  5  o 15.024  6.9763  -16.9137   61.061   12.914     87.504   -45.2220   85.246   18.577  8.5267  16.104  7.7036  2.472965       11.49129 
1 1 1 -26 15  6  o 15.197  7.0673  -17.5609   63.042   -77.1711   91.723   35.812     86.791   15.634  7.6029  19.639  8.8039  -4.004776      11.63240 
1 1 1 -26 15  7  o 44.199  7.7674  310.217    80.262   370.054    113.144  249.606    113.873  43.484  10.778  32.992  11.540  10.49165       15.78998 
1 1 1 -26 15  8  o 34.540  8.9853  209.782    76.021   113.883    107.972  304.057    107.053  24.170  10.343  38.640  10.929  -14.46980      15.04778 
1 1 1 -26 15  9  f 48.081  7.4726  361.106    84.349   395.198    118.979  326.658    119.597  44.349  11.087  38.320  11.748  6.029884       16.15334 
1 1 1 -26 15  10 o 41.577  8.3261  286.183    81.066   276.786    114.390  295.664    114.902  34.888  11.578  36.384  11.570  -1.496117      16.36819 
1 1 1 -26 15  11 o 17.406  7.7521  19.312     66.125   -13.2565   95.328   49.515     91.801   17.864  8.4286  20.392  9.1043  -2.528330      12.40684 
1 1 1 -26 15  12 o 35.662  10.930  269.446    103.534  196.921    111.226  740.057    283.333  28.885  11.167  35.817  15.992  -6.932482      19.50528 
1 1 1 -26 15  13 o 26.032  11.088  162.573    123.031  162.573    123.031  0.0000     0.0000   26.032  11.088  ?       ?       0.000000       11.08819 
1 1 1 -26 15  14 o 18.721  8.8966  -5.7347    109.877  -21.5192   122.132  61.292     251.673  18.818  9.0582  22.975  11.435  -4.156593      14.58803 
1 1 1 -26 15  15 o 16.143  7.8350  -61.1159   96.125   -66.6195   103.102  -24.5356   265.810  16.468  8.0204  21.926  11.031  -5.457354      13.63856 
1 1 1 -26 15  16 o 11.968  6.0342  -188.3679  81.916   -188.3679  81.916   0.0000     0.0000   11.968  6.0342  ?       ?       0.000000       6.034154 
1 1 1 -26 15  17 o 18.923  9.0785  -2.5428    120.309  -2.5428    120.309  0.0000     0.0000   18.923  9.0785  ?       ?       0.000000       9.078455 
1 1 1 -26 15  18 o 16.943  7.7902  10.049     73.462   -20.6965   122.761  27.201     91.692   18.389  8.9081  18.672  8.6272  -0.2826824     12.40089 
1 1 1 -26 15  19 o 18.280  8.0093  41.236     67.890   76.730     125.064  26.407     80.838   21.175  9.8830  18.033  8.2470  3.142565       12.87190 
1 1 1 -26 15  20 o 17.070  7.8022  18.310     72.222   105.743    128.082  -22.4488   87.450   21.969  10.167  16.305  7.8008  5.663689       12.81470 
1 1 1 -26 15  21 o 18.369  8.3696  37.765     82.292   430.232    271.390  -1.9741    86.358   25.546  12.560  16.855  7.9738  8.690304       14.87697 
1 1 1 -26 15  22 o 14.540  6.9930  -36.1561   72.389   -266.6763  267.954  -18.0073   75.185   ?       ?       15.429  7.3403  0.000000       7.340258 
1 1 1 -26 15  23 o 15.929  7.3484  9.8514     66.135   -14.4067   127.073  18.863     77.451   17.864  8.7438  16.989  7.8775  0.8753166      11.76893 
1 1 1 -26 15  24 o 9.0110  4.5724  -156.1100  52.327   -292.1419  115.403  -120.9043  58.709   ?       ?       10.535  5.2852  0.000000       5.285153 
1 1 1 -26 15  25 o 34.558  9.4889  254.475    81.993   308.516    142.763  227.875    100.160  27.717  11.878  28.422  10.691  -0.7054367     15.98108 
1 1 1 -26 15  26 f 29.978  9.1404  194.497    72.520   97.242     123.624  245.524    89.546   20.076  9.5102  31.452  10.235  -11.37550      13.97116 
1 1 1 -26 15  27 f 17.414  7.7485  46.593     65.900   -75.0286   140.019  81.199     74.689   16.390  8.2140  19.584  8.4932  -3.193369      11.81541 
1 1 1 -26 15  28 f 20.438  8.9921  103.679    86.357   0.0000     0.0000   103.679    86.357   ?       ?       20.438  8.9921  0.000000       8.992146 
1 1 1 -26 15  29 o 17.087  8.0794  33.273     88.450   0.0000     0.0000   33.273     88.450   ?       ?       17.087  8.0794  0.000000       8.079377 
1 1 1 -26 15  30 o 15.247  7.2213  4.3438     71.223   42.024     122.287  -14.9993   87.617   17.851  8.7028  15.382  7.4690  2.468982       11.46842 
1 1 1 -26 15  31 o 26.384  8.9848  163.104    68.862   167.861    95.351   157.919    99.558   23.273  9.8304  22.369  9.7526  0.9043026      13.84733 
1 1 1 -26 15  32 o 14.225  7.0100  -53.4128   86.216   -74.4696   95.006   44.851     205.235  14.235  7.0755  18.424  9.3172  -4.188776      11.69930 
1 1 1 -26 15  33 o 20.970  9.5027  133.563    104.265  114.684    110.941  276.404    305.162  20.013  9.3297  ?       ?       0.000000       9.329702 
1 1 1 -26 15  34 o 37.946  8.7968  294.271    79.415   380.715    109.942  199.959    114.836  36.867  11.257  23.485  10.350  13.38205       15.29192 
1 1 1 -26 15  35 o 19.759  8.2521  86.214     66.009   77.240     92.366   95.582     94.369   18.778  8.6703  19.557  8.9311  -0.7789440     12.44747 
1 1 1 -26 15  36 o 13.379  6.3899  -17.5994   58.168   84.904     81.918   -121.8411  82.610   19.106  8.5601  12.416  6.2343  6.689934       10.58976 
1 1 1 -26 15  37 o 17.132  8.1958  42.024     96.505   117.956    255.709  29.413     104.211  ?       ?       16.882  8.1854  0.000000       8.185391 
1 1 1 -26 15  38 o 15.995  7.6840  21.563     86.822   -174.3182  254.768  47.301     92.350   ?       ?       16.966  8.0888  0.000000       8.088827 
1 1 1 -26 15  39 o 18.294  8.5413  94.812     93.553   159.556    270.622  86.025     99.699   ?       ?       17.872  8.4878  0.000000       8.487824 
1 1 1 -26 16  1  o 12.222  5.9823  -78.1903   59.473   -215.8613  84.806   55.032     83.425   11.875  6.0039  20.307  8.8885  -8.432239      10.72629 
1 1 1 -26 16  2  o 15.812  7.1811  1.6949     59.950   54.266     85.101   -50.0968   84.467   20.346  8.9395  15.738  7.5652  4.607668       11.71099 
1 1 1 -26 16  3  o 13.466  6.4470  -46.4949   59.964   -29.5327   82.361   -65.6275   87.472   16.310  7.7366  15.504  7.5130  0.8053522      10.78422 
1 1 1 -26 16  4  o 19.040  7.9940  46.908     62.444   54.587     87.263   38.849     89.394   20.463  9.0196  19.721  8.8802  0.7412567      12.65747 
1 1 1 -26 16  5  o 15.582  7.1219  -2.9865    60.169   -8.6416    83.413   3.1480     86.876   17.223  8.0492  17.949  8.3299  -0.7261505     11.58350 
1 1 1 -26 16  6  o 17.523  7.6703  26.060     62.132   79.630     85.903   -32.7075   89.973   21.904  9.2957  16.773  7.9934  5.131258       12.25988 
1 1 1 -26 16  7  o 15.120  7.0523  -18.0009   63.518   -34.2166   91.085   -2.6507    88.621   16.789  8.0126  17.797  8.3108  -1.008160      11.54427 
1 1 1 -26 16  8  o 15.993  7.3590  -4.4109    65.734   102.614    92.701   -112.6526  93.226   23.313  9.7614  14.697  7.2517  8.615606       12.16030 
1 1 1 -26 16  9  o 16.469  7.5775  -1.1642    69.670   72.317     99.921   -70.6885   97.193   21.599  9.5793  16.069  7.8172  5.529926       12.36412 
1 1 1 -26 16  10 o 17.847  7.9790  23.599     70.768   25.314     100.225  21.893     99.938   19.439  8.9951  19.288  8.9454  0.1507149      12.68585 
1 1 1 -26 16  11 o 32.446  11.772  264.210    119.573  195.694    131.609  588.224    286.203  27.170  11.517  30.957  14.606  -3.787670      18.60001 
1 1 1 -26 16  12 o 27.837  11.091  190.584    112.585  177.337    124.540  249.816    263.344  26.391  11.196  25.370  12.453  1.020517       16.74566 
1 1 1 -26 16  13 o ?       ?       -336.8782  252.611  0.0000     0.0000   -336.8782  252.611  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 16  14 o 22.652  11.336  75.918     262.334  0.0000     0.0000   75.918     262.334  ?       ?       22.652  11.336  0.000000       11.33585 
1 1 1 -26 16  15 o 25.265  10.735  159.183    114.787  159.183    114.787  0.0000     0.0000   25.265  10.735  ?       ?       0.000000       10.73472 
1 1 1 -26 16  16 o 23.587  10.366  130.491    114.465  130.491    114.465  0.0000     0.0000   23.587  10.366  ?       ?       0.000000       10.36572 
1 1 1 -26 16  17 o 23.425  9.3796  114.676    80.920   -43.2197   118.651  251.982    110.645  17.494  8.5384  31.160  11.321  -13.66539      14.18022 
1 1 1 -26 16  18 o 47.551  7.9361  384.314    88.338   481.352    133.282  308.291    117.971  44.475  12.051  33.955  11.753  10.51965       16.83303 
1 1 1 -26 16  19 o 36.401  10.095  280.836    92.281   -80.5823   271.471  328.054    98.124   20.080  10.211  39.610  10.160  -19.52962      14.40471 
1 1 1 -26 16  20 o 20.791  9.1022  85.342     87.524   201.611    268.157  71.479     92.595   22.360  11.228  20.074  9.0386  2.285288       14.41381 
1 1 1 -26 16  21 o 15.531  7.4020  -16.6096   77.174   -98.8074   266.118  -9.0620    80.640   ?       ?       16.034  7.6202  0.000000       7.620216 
1 1 1 -26 16  22 o 29.127  9.2609  181.734    73.618   177.751    135.821  183.392    87.603   23.277  10.662  27.126  10.038  -3.848888      14.64381 
1 1 1 -26 16  23 o 21.078  8.8467  96.839     76.431   337.384    140.897  -3.4591    90.981   29.581  12.178  16.510  7.9140  13.07104       14.52363 
1 1 1 -26 16  24 o 64.210  6.1611  648.862    94.811   418.999    154.727  787.063    119.974  31.110  12.779  67.307  7.4724  -36.19650      14.80360 
1 1 1 -26 16  25 o 13.563  6.5276  -30.5026   63.366   -75.2316   119.855  -13.1495   74.653   15.727  7.8381  15.036  7.1973  0.6911058      10.64127 
1 1 1 -26 16  26 o 20.241  8.6567  93.809     75.539   335.211    140.644  -4.0597    89.551   27.782  11.845  15.983  7.7090  11.79811       14.13262 
1 1 1 -26 16  27 o 13.197  6.4526  -49.2897   68.631   0.0000     0.0000   -49.2897   68.631   ?       ?       13.197  6.4526  0.000000       6.452555 
1 1 1 -26 16  28 o 12.594  6.2895  -101.7272  78.848   0.0000     0.0000   -101.7272  78.848   ?       ?       12.594  6.2895  0.000000       6.289528 
1 1 1 -26 16  29 o 16.817  7.8873  35.089     81.301   252.477    276.232  14.472     85.069   ?       ?       16.147  7.7165  0.000000       7.716458 
1 1 1 -26 16  30 o 22.610  8.9749  131.063    73.460   156.284    123.532  117.264    91.371   20.919  9.7829  20.518  9.1271  0.4014416      13.37938 
1 1 1 -26 16  31 o 17.188  8.0673  43.109     85.328   41.343     94.727   50.709     196.483  17.283  8.2270  18.310  9.2455  -1.026751      12.37591 
1 1 1 -26 16  32 o 15.464  7.4403  -1.8320    82.173   55.286     90.726   -262.6227  193.861  17.770  8.3335  ?       ?       0.000000       8.333544 
1 1 1 -26 16  33 o 32.539  8.9868  229.923    73.296   233.754    101.646  225.773    105.791  26.737  10.575  25.614  10.550  1.122379       14.93716 
1 1 1 -26 16  34 o 11.787  5.7975  -60.9837   58.038   -93.1665   78.969   -23.1800   85.588   12.753  6.3566  14.961  7.2907  -2.207908      9.672720 
1 1 1 -26 16  35 o 18.830  8.0778  76.607     66.141   122.790    89.545   21.157     98.118   20.759  9.1442  16.624  8.0305  4.135412       12.16983 
1 1 1 -26 16  36 o 18.509  8.7367  85.003     102.623  446.336    278.928  28.433     110.364  20.746  10.530  16.876  8.2361  3.870529       13.36852 
1 1 1 -26 16  37 o 16.713  7.9747  42.943     90.148   35.912     256.360  43.935     96.298   ?       ?       16.821  8.0839  0.000000       8.083914 
1 1 1 -26 16  38 o 15.515  7.5799  11.892     94.154   -33.6947   276.875  17.853     100.121  ?       ?       15.803  7.7405  0.000000       7.740489 
1 1 1 -26 17  1  o 39.121  7.9430  252.858    72.823   199.223    103.474  305.497    102.508  29.186  10.888  38.553  10.620  -9.366913      15.20953 
1 1 1 -26 17  2  o 21.603  8.4795  79.822     64.893   79.132     92.119   80.501     91.431   21.662  9.4134  21.735  9.4115  -0.7262039E-01 13.31120 
1 1 1 -26 17  3  o 24.539  8.8514  111.783    67.453   161.288    96.342   64.181     94.472   26.978  10.403  20.917  9.2938  6.060982       13.94988 
1 1 1 -26 17  4  o 23.872  8.8130  104.856    67.439   127.342    90.983   77.438     100.467  24.781  9.9376  21.699  9.6154  3.082283       13.82794 
1 1 1 -26 17  5  o 18.897  8.0865  45.142     65.989   62.772     89.474   24.115     97.714   20.734  9.1365  19.196  8.8824  1.537991       12.74255 
1 1 1 -26 17  6  o 16.853  7.5564  15.660     63.963   45.365     88.178   -17.3267   92.922   19.769  8.8674  17.346  8.2249  2.423481       12.09465 
1 1 1 -26 17  7  o 22.254  8.6661  87.703     67.364   -10.4678   92.680   197.653    98.083   17.560  8.2929  29.623  10.675  -12.06274      13.51781 
1 1 1 -26 17  8  o 36.875  8.5057  235.273    74.552   174.446    102.915  302.440    108.145  27.360  10.696  37.114  11.128  -9.754217      15.43447 
1 1 1 -26 17  9  f 15.133  7.1322  -23.5389   67.923   -11.3270   97.196   -35.1950   94.959   17.727  8.4076  16.796  8.0599  0.9314880      11.64694 
1 1 1 -26 17  10 o 15.440  7.5933  -93.8475   99.438   -149.3264  107.228  246.887    265.737  14.814  7.3877  24.952  12.298  -10.13791      14.34676 
1 1 1 -26 17  11 o 15.363  7.6011  -112.3919  104.947  -101.9326  114.129  -169.6586  267.051  16.187  7.9936  20.272  10.291  -4.085245      13.03078 
1 1 1 -26 17  12 o 22.345  11.194  68.480     258.939  0.0000     0.0000   68.480     258.939  ?       ?       22.345  11.194  0.000000       11.19380 
1 1 1 -26 17  13 o 16.789  7.8862  -5.4743    81.807   277.496    205.341  -58.8602   89.190   26.049  12.315  15.469  7.5170  10.58001       14.42782 
1 1 1 -26 17  14 o 34.726  11.971  320.758    122.323  320.758    122.323  0.0000     0.0000   34.726  11.971  ?       ?       0.000000       11.97051 
1 1 1 -26 17  15 o 22.285  9.9546  107.723    109.908  107.723    109.908  0.0000     0.0000   22.285  9.9546  ?       ?       0.000000       9.954560 
1 1 1 -26 17  16 o 17.674  8.4809  -7.7964    105.103  -7.7964    105.103  0.0000     0.0000   17.674  8.4809  ?       ?       0.000000       8.480932 
1 1 1 -26 17  17 o 14.945  7.0878  -20.6257   69.054   -28.6044   99.238   -13.1360   96.149   16.657  8.0542  16.969  8.1343  -0.3115444     11.44714 
1 1 1 -26 17  18 o 15.530  7.4261  -22.6573   79.043   0.0000     0.0000   -22.6573   79.043   ?       ?       15.530  7.4261  0.000000       7.426136 
1 1 1 -26 17  19 o 27.157  10.024  179.479    87.248   104.989    253.275  189.509    92.936   21.067  10.620  27.279  10.290  -6.211462      14.78806 
1 1 1 -26 17  20 o 15.818  7.3928  3.6482     70.370   -134.5364  264.811  14.148     72.994   ?       ?       16.452  7.6352  0.000000       7.635166 
1 1 1 -26 17  21 o 12.621  6.0780  -38.4759   55.140   -209.0021  122.744  4.6388     61.719   14.079  7.1291  15.189  7.0391  -1.109629      10.01859 
1 1 1 -26 17  22 o 40.345  8.6229  311.776    81.852   503.291    138.680  209.393    101.397  40.535  12.688  26.685  10.559  13.84928       16.50718 
1 1 1 -26 17  23 o 9.5420  4.8284  -146.0744  55.693   -150.9258  111.870  -144.4758  64.216   14.094  7.0994  10.529  5.3129  3.564946       8.867280 
1 1 1 -26 17  24 o 25.330  9.2676  156.206    74.327   228.618    136.742  125.840    88.551   23.670  10.787  21.733  9.3357  1.937069       14.26564 
1 1 1 -26 17  25 o 30.048  9.5007  213.440    77.563   266.313    139.146  189.606    93.423   24.548  11.064  25.183  10.080  -0.6355495     14.96725 
1 1 1 -26 17  26 o 11.116  5.5693  -110.3245  64.210   0.0000     0.0000   -110.3245  64.210   ?       ?       11.116  5.5693  0.000000       5.569343 
1 1 1 -26 17  27 o 16.947  8.0450  34.701     89.382   0.0000     0.0000   34.701     89.382   ?       ?       16.947  8.0450  0.000000       8.045001 
1 1 1 -26 17  28 o 19.945  9.1863  115.343    102.760  0.0000     0.0000   115.343    102.760  ?       ?       19.945  9.1863  0.000000       9.186348 
1 1 1 -26 17  29 f 18.417  8.9396  77.087     125.229  207.834    307.700  51.132     137.096  ?       ?       17.880  8.8168  0.000000       8.816832 
1 1 1 -26 17  30 o 11.540  5.8398  -164.1154  81.497   -189.9494  89.202   -33.6544   200.455  11.726  5.9521  17.343  8.8146  -5.616508      10.63604 
1 1 1 -26 17  31 o 17.196  8.1861  41.514     93.844   2.9316     103.916  212.088    218.497  16.288  7.9584  19.909  10.014  -3.621130      12.79150 
1 1 1 -26 17  32 o 21.504  8.6175  112.491    68.366   60.967     100.618  156.677    93.178   17.978  8.5346  22.538  9.6260  -4.560472      12.86467 
1 1 1 -26 17  33 o 14.885  6.9600  10.103     62.486   -16.9051   93.040   32.294     84.336   15.394  7.5234  16.670  7.8842  -1.276139      10.89780 
1 1 1 -26 17  34 o 15.554  7.2304  22.201     65.874   47.838     94.461   -2.0708    91.912   17.301  8.2297  15.669  7.6179  1.631824       11.21430 
1 1 1 -26 17  35 o 19.446  9.0593  115.202    104.334  291.193    276.550  85.997     112.659  ?       ?       18.338  8.7945  0.000000       8.794494 
1 1 1 -26 17  36 o 14.546  7.1451  -23.5138   87.199   226.065    267.635  -53.1543   92.232   ?       ?       14.067  6.9884  0.000000       6.988373 
1 1 1 -26 17  37 f 13.131  6.5309  -60.4575   81.445   -49.9973   249.987  -61.6996   86.145   ?       ?       13.359  6.6559  0.000000       6.655880 
1 1 1 -26 18  1  o 19.288  8.3363  51.316     71.464   133.019    109.519  -9.2688    94.309   24.108  10.370  17.499  8.2944  6.608541       13.27894 
1 1 1 -26 18  2  o 24.532  8.9429  115.765    69.120   121.721    94.843   109.019    100.941  23.884  9.9261  23.004  9.9250  0.8799438      14.03683 
1 1 1 -26 18  3  o 16.814  7.5623  16.690     64.605   36.471     90.881   -3.5185    91.858   19.210  8.7696  17.601  8.2951  1.609783       12.07118 
1 1 1 -26 18  4  o 17.932  7.8232  34.993     64.154   78.941     89.434   -11.5929   92.079   21.358  9.2783  17.318  8.2048  4.039858       12.38569 
1 1 1 -26 18  5  o 15.531  7.1462  -2.5077    61.975   73.733     84.973   -89.1584   90.588   21.002  9.0836  14.840  7.2880  6.161753       11.64587 
1 1 1 -26 18  6  o 23.708  8.8396  106.743    68.179   191.720    93.922   12.082     99.129   29.120  10.451  18.526  8.6953  10.59396       13.59551 
1 1 1 -26 18  7  o 17.575  7.8348  26.882     67.708   -22.9152   90.769   89.350     101.663  16.794  8.0104  21.901  9.6903  -5.106781      12.57251 
1 1 1 -26 18  8  o 17.673  8.2518  6.8925     87.328   -2.5594    94.912   59.046     222.949  17.717  8.3749  21.976  10.909  -4.258125      13.75265 
1 1 1 -26 18  9  o 25.729  10.414  157.667    100.923  189.008    113.594  40.224     219.891  26.915  10.990  21.587  10.735  5.327618       15.36352 
1 1 1 -26 18  10 o 35.349  11.327  298.503    109.970  356.630    122.726  61.667     247.726  37.665  11.955  21.931  10.981  15.73432       16.23288 
1 1 1 -26 18  11 o 24.479  12.209  312.490    293.124  0.0000     0.0000   312.490    293.124  ?       ?       24.479  12.209  0.000000       12.20884 
1 1 1 -26 18  12 o 27.123  9.7809  161.552    82.357   -41.8759   116.201  366.878    116.741  17.363  8.4691  39.329  11.504  -21.96530      14.28516 
1 1 1 -26 18  13 f 18.697  8.7655  27.568     100.248  23.364     107.574  55.313     276.372  18.790  8.8921  21.495  10.865  -2.705250      14.04006 
1 1 1 -26 18  14 o 20.902  9.5929  82.565     110.722  82.565     110.722  0.0000     0.0000   20.902  9.5929  ?       ?       0.000000       9.592936 
1 1 1 -26 18  15 o 21.374  9.7115  97.978     109.802  97.978     109.802  0.0000     0.0000   21.374  9.7115  ?       ?       0.000000       9.711526 
1 1 1 -26 18  16 o 10.820  5.4605  -159.9402  67.957   5.5906     103.300  -286.2416  90.233   17.706  8.4728  ?       ?       0.000000       8.472789 
1 1 1 -26 18  17 o 20.591  8.9715  85.767     84.120   190.317    229.618  69.561     90.405   22.083  10.980  19.728  8.9024  2.354898       14.13559 
1 1 1 -26 18  18 o 18.220  8.2873  45.366     80.236   39.215     229.038  46.226     85.664   19.996  10.083  18.396  8.4410  1.600590       13.14973 
1 1 1 -26 18  19 o 20.388  8.9723  88.929     86.023   189.505    222.093  71.177     93.307   21.532  10.721  19.473  8.8881  2.058664       13.92616 
1 1 1 -26 18  20 o 16.380  7.3915  27.749     62.328   32.724     116.325  25.746     73.819   18.252  8.7990  16.780  7.7488  1.472153       11.72466 
1 1 1 -26 18  21 o 15.611  7.2766  10.144     67.460   5.2611     128.463  12.003     79.270   17.650  8.6703  16.284  7.6841  1.365957       11.58537 
1 1 1 -26 18  22 o 18.501  8.0124  64.338     66.289   62.674     130.509  64.917     76.955   18.786  9.1204  18.545  8.3035  0.2412453      12.33413 
1 1 1 -26 18  23 o 19.451  8.2432  80.741     67.401   166.670    124.466  45.088     80.174   21.704  10.037  17.423  8.0561  4.281647       12.86986 
1 1 1 -26 18  24 f 17.142  7.7854  46.102     70.482   85.310     131.364  30.252     83.521   18.888  9.1655  16.731  7.8926  2.157436       12.09547 
1 1 1 -26 18  25 o 15.955  7.3303  28.508     64.876   -48.3761   133.201  52.419     74.283   16.117  8.0674  17.415  7.9415  -1.297287      11.32038 
1 1 1 -26 18  26 o 20.803  9.3243  132.138    97.301   0.0000     0.0000   132.138    97.301   ?       ?       20.803  9.3243  0.000000       9.324288 
1 1 1 -26 18  27 o 20.180  9.1708  121.296    97.974   0.0000     0.0000   121.296    97.974   ?       ?       20.180  9.1708  0.000000       9.170756 
1 1 1 -26 18  28 o 19.170  8.4467  88.467     76.462   202.485    124.050  18.609     97.100   22.149  10.161  16.403  7.9400  5.746849       12.89556 
1 1 1 -26 18  29 o 20.268  9.0827  119.275    92.284   134.048    102.757  57.680     209.824  20.512  9.3485  18.110  9.1859  2.401440       13.10632 
1 1 1 -26 18  30 o 15.852  7.6089  11.763     84.727   37.465     93.466   -106.7156  200.674  16.943  8.0944  ?       ?       0.000000       8.094434 
1 1 1 -26 18  31 o 20.552  8.4519  101.860    67.775   152.284    93.371   45.704     98.535   22.071  9.5340  17.326  8.2868  4.745007       12.63205 
1 1 1 -26 18  32 o 19.384  8.2784  87.447     68.905   124.754    98.830   52.159     96.120   20.293  9.2175  17.467  8.3067  2.825474       12.40824 
1 1 1 -26 18  33 o 16.921  7.6232  49.766     65.978   75.798     96.377   26.805     90.514   18.179  8.5458  16.410  7.8732  1.769300       11.61976 
1 1 1 -26 18  34 o 16.927  8.1334  45.007     97.394   -43.4871   263.289  59.036     104.830  ?       ?       17.411  8.3838  0.000000       8.383829 
1 1 1 -26 18  35 o 13.440  6.6500  -50.6514   80.406   -310.6542  259.155  -22.9569   84.580   ?       ?       14.367  7.0528  0.000000       7.052800 
1 1 1 -26 18  36 o 15.651  7.5475  28.704     85.748   -277.5320  252.394  68.663     91.171   ?       ?       17.036  8.0984  0.000000       8.098359 
1 1 1 -26 19  1  o 29.053  9.5118  173.842    77.299   188.411    118.570  163.073    101.941  26.249  11.018  25.759  10.452  0.4901543      15.18689 
1 1 1 -26 19  2  o 22.184  8.9658  95.095     74.689   8.5121     115.054  158.159    98.192   18.787  8.9769  25.706  10.318  -6.918634      13.67668 
1 1 1 -26 19  3  o 13.450  6.4656  -44.8758   61.719   -26.8479   85.625   -64.3712   89.042   16.166  7.7299  15.236  7.4276  0.9294767      10.72011 
1 1 1 -26 19  4  o 19.268  8.1989  55.911     67.143   55.371     94.318   56.466     95.604   19.895  9.0244  19.975  9.0704  -0.8030128E-01 12.79504 
1 1 1 -26 19  5  o 24.066  8.8738  113.918    68.334   43.934     91.995   200.062    102.066  19.292  8.8133  28.364  10.764  -9.071751      13.91149 
1 1 1 -26 19  6  o 22.495  9.3642  103.146    84.606   99.565     90.894   126.372    231.492  22.159  9.4868  22.529  11.172  -0.3702450     14.65629 
1 1 1 -26 19  7  o 35.379  11.513  311.058    113.316  266.705    127.088  483.073    250.281  29.998  11.837  28.205  13.410  1.793200       17.88739 
1 1 1 -26 19  8  o 24.318  10.088  139.945    97.708   112.798    107.069  275.156    238.952  22.528  9.9572  24.542  12.008  -2.014248      15.59915 
1 1 1 -26 19  9  o 13.518  6.6941  -104.5156  82.061   -114.6511  88.412   -41.4770   220.492  13.815  6.8598  20.050  10.082  -6.235185      12.19466 
1 1 1 -26 19  10 o 24.453  10.052  143.908    95.815   78.486     210.355  161.034    107.629  21.391  10.614  24.865  10.470  -3.474318      14.90943 
1 1 1 -26 19  11 o 27.484  9.6384  166.053    79.467   116.641    114.797  211.516    110.115  22.262  10.040  27.641  10.983  -5.378290      14.88051 
1 1 1 -26 19  12 o 13.676  6.6760  -63.9363   72.628   -73.5426   106.490  -55.5821   99.308   15.845  7.8051  15.867  7.7587  -0.2228260E-01 11.00537 
1 1 1 -26 19  13 o 16.986  8.2276  -21.3333   104.644  -21.3333   104.644  0.0000     0.0000   16.986  8.2276  ?       ?       0.000000       8.227607 
1 1 1 -26 19  14 o 21.951  9.9398  120.428    113.830  120.428    113.830  0.0000     0.0000   21.951  9.9398  ?       ?       0.000000       9.939759 
1 1 1 -26 19  15 o 19.541  8.9842  66.000     97.687   -7.9680    220.844  83.994     108.923  19.540  9.8586  20.330  9.3968  -0.7904167     13.61959 
1 1 1 -26 19  16 o 13.752  6.7983  -85.3266   83.337   144.005    200.929  -132.9732  91.585   21.215  10.500  13.337  6.6779  7.877580       12.44365 
1 1 1 -26 19  17 o 22.542  9.3123  122.723    82.759   254.151    220.179  101.100    89.308   22.385  11.063  20.944  9.1813  1.440720       14.37685 
1 1 1 -26 19  18 o 14.304  6.8877  -28.9294   70.745   -230.3377  209.751  -3.0769    75.148   ?       ?       15.570  7.3871  0.000000       7.387100 
1 1 1 -26 19  19 o 14.177  6.8075  -24.3993   67.978   95.736     113.981  -90.7200   84.688   19.950  9.3511  13.498  6.7044  6.451502       11.50616 
1 1 1 -26 19  20 o 26.416  9.3240  167.817    74.456   146.468    125.465  179.423    92.507   21.243  9.9091  24.916  10.010  -3.673269      14.08530 
1 1 1 -26 19  21 o 17.850  7.7896  57.171     63.646   52.091     116.398  59.338     76.017   18.173  8.7708  18.058  8.1547  0.1143723      11.97604 
1 1 1 -26 19  22 o 12.605  6.1596  -48.9434   62.301   -116.5653  116.503  -21.8612   73.729   14.529  7.3090  14.379  6.9498  0.1507282      10.08574 
1 1 1 -26 19  23 o 17.989  7.9486  63.714     68.175   -26.9173   122.190  104.680    82.151   16.162  8.0318  20.121  8.8134  -3.958820      11.92417 
1 1 1 -26 19  24 o 14.680  7.0900  -12.5290   76.382   302.476    137.772  -152.3208  91.779   25.062  11.174  12.447  6.2890  12.61476       12.82198 
1 1 1 -26 19  25 o 21.884  9.7482  168.227    104.603  0.0000     0.0000   168.227    104.603  ?       ?       21.884  9.7482  0.000000       9.748197 
1 1 1 -26 19  26 o 17.156  8.2239  45.880     98.268   0.0000     0.0000   45.880     98.268   ?       ?       17.156  8.2239  0.000000       8.223915 
1 1 1 -26 19  27 o 26.632  9.7588  201.247    82.459   214.983    133.553  192.785    104.826  21.771  10.178  22.957  10.008  -1.186399      14.27440 
1 1 1 -26 19  28 o 14.361  7.0213  -27.8056   81.272   -39.5099   87.785   42.404     215.005  14.381  7.0846  ?       ?       0.000000       7.084580 
1 1 1 -26 19  29 o 17.486  8.2023  57.563     87.985   -1.9916    97.408   321.449    205.043  15.763  7.7028  21.167  10.499  -5.403945      13.02198 
1 1 1 -26 19  30 f 30.800  9.2120  222.489    74.183   375.099    102.689  55.922     107.282  37.211  10.762  17.591  8.4729  19.61987       13.69729 
1 1 1 -26 19  31 o 16.954  7.6227  50.571     65.582   -152.1499  93.581   246.218    91.934   12.500  6.3187  28.572  10.329  -16.07269      12.10865 
1 1 1 -26 19  32 o 16.021  7.3869  34.837     66.697   103.835    96.084   -29.3245   92.655   19.123  8.8343  14.783  7.2816  4.340333       11.44849 
1 1 1 -26 19  33 f 22.006  9.8360  189.650    107.471  598.373    257.677  103.581    118.246  21.975  11.030  18.452  8.8897  3.522287       14.16672 
1 1 1 -26 19  34 o 12.813  6.4067  -81.8821   83.007   -445.0916  250.820  -37.2099   87.963   ?       ?       14.069  6.9603  0.000000       6.960334 
1 1 1 -26 19  35 f 16.399  7.9050  53.496     93.842   -439.3438  267.710  122.538    100.200  ?       ?       18.635  8.7452  0.000000       8.745169 
1 1 1 -26 20  1  o 15.996  7.4648  -1.0591    71.315   14.827     112.182  -11.8336   92.386   18.557  8.8661  16.860  8.0529  1.696455       11.97737 
1 1 1 -26 20  2  o 34.605  9.5765  242.462    83.136   329.009    125.094  173.998    111.261  33.904  12.073  25.333  10.655  8.571075       16.10239 
1 1 1 -26 20  3  o 13.055  6.3997  -74.4814   68.852   -81.0866   104.903  -69.4827   91.259   15.679  7.7279  15.077  7.3859  0.6026497      10.68985 
1 1 1 -26 20  4  o 24.806  9.2743  131.392    75.150   53.923     106.773  207.442    105.790  19.747  9.1881  27.893  10.861  -8.145256      14.22581 
1 1 1 -26 20  5  o 22.287  9.7924  112.267    102.105  61.631     112.551  347.712    242.695  20.103  9.3801  25.150  12.261  -5.047373      15.43763 
1 1 1 -26 20  6  f 11.621  5.8890  -212.6267  84.881   -339.7783  92.283   485.933    216.303  ?       ?       29.530  13.499  0.000000       13.49927 
1 1 1 -26 20  7  o 19.600  8.9017  59.461     92.131   58.164     100.356  66.413     232.366  19.683  9.0704  21.069  10.562  -1.385744      13.92222 
1 1 1 -26 20  8  o 18.729  8.6285  42.150     90.744   59.999     98.444   -58.7334   234.041  19.667  9.0335  19.652  9.9393  0.1537895E-01  13.43107 
1 1 1 -26 20  9  o 20.916  8.5268  84.346     68.231   145.721    91.217   6.3858     102.807  24.423  9.8951  17.748  8.4820  6.674904       13.03298 
1 1 1 -26 20  10 o 29.724  9.5097  190.315    77.535   132.614    108.376  250.814    110.972  22.728  10.033  29.645  11.230  -6.916824      15.05888 
1 1 1 -26 20  11 o 24.398  9.2753  133.561    75.878   145.893    105.958  120.579    108.712  23.351  10.121  22.009  9.8609  1.341497       14.13088 
1 1 1 -26 20  12 o 24.623  10.472  176.134    109.433  176.134    109.433  0.0000     0.0000   24.623  10.472  ?       ?       0.000000       10.47194 
1 1 1 -26 20  13 o 22.348  10.063  139.248    114.766  139.248    114.766  0.0000     0.0000   22.348  10.063  ?       ?       0.000000       10.06259 
1 1 1 -26 20  14 o 20.640  10.352  122.214    224.821  122.214    224.821  0.0000     0.0000   20.640  10.352  ?       ?       0.000000       10.35247 
1 1 1 -26 20  15 o 25.535  10.650  204.979    109.746  385.513    222.588  146.997    126.144  24.287  11.819  21.900  10.119  2.386744       15.55869 
1 1 1 -26 20  16 f 20.709  8.9719  99.332     83.176   -33.2337   229.949  119.287    89.217   18.658  9.4790  21.679  9.3422  -3.021122      13.30893 
1 1 1 -26 20  17 o 12.864  6.1577  -27.5050   54.657   -151.8758  107.013  16.390     63.575   13.759  6.9322  15.645  7.2130  -1.886096      10.00415 
1 1 1 -26 20  18 o 23.996  9.0637  139.231    72.159   91.828     117.220  168.154    91.564   19.503  9.2450  24.145  9.8643  -4.642452      13.51939 
1 1 1 -26 20  19 o 12.204  5.9425  -45.9894   56.512   -75.3737   101.116  -32.6424   68.148   14.615  7.2701  13.697  6.6358  0.9176493      9.843175 
1 1 1 -26 20  20 o 18.644  8.1113  72.398     68.556   108.944    109.089  48.543     88.136   19.728  9.2150  17.500  8.2092  2.227345       12.34130 
1 1 1 -26 20  21 o 20.925  8.5607  106.937    69.083   68.068     125.017  124.024    82.888   18.202  8.8575  21.196  9.0666  -2.993990      12.67510 
1 1 1 -26 20  22 o 12.033  5.9046  -53.5391   59.086   -63.4638   121.308  -50.4521   67.654   15.335  7.6793  12.868  6.3151  2.467614       9.942465 
1 1 1 -26 20  23 f 16.490  7.6252  40.010     71.833   132.134    133.105  2.1533     85.326   19.407  9.3695  15.445  7.4682  3.961223       11.98174 
1 1 1 -26 20  24 o 20.078  9.2224  130.713    102.622  0.0000     0.0000   130.713    102.622  ?       ?       20.078  9.2224  0.000000       9.222446 
1 1 1 -26 20  25 o 19.679  9.1987  128.055    109.005  0.0000     0.0000   128.055    109.005  ?       ?       19.679  9.1987  0.000000       9.198718 
1 1 1 -26 20  26 o 17.426  8.7321  44.155     158.085  -85.5292   229.164  161.899    218.360  ?       ?       18.708  9.4767  0.000000       9.476707 
1 1 1 -26 20  27 o 17.812  8.7132  70.641     125.607  99.692     150.983  5.3384     226.367  18.336  9.0800  ?       ?       0.000000       9.080025 
1 1 1 -26 20  28 o 16.090  7.6322  27.832     80.135   1.0050     87.035   177.181    205.355  15.399  7.4697  19.050  9.5986  -3.650745      12.16265 
1 1 1 -26 20  29 o 15.766  7.2929  29.670     65.790   71.887     87.414   -25.4877   99.917   17.962  8.3427  15.189  7.4969  2.772663       11.21623 
1 1 1 -26 20  30 o 16.561  7.6158  44.313     70.249   47.516     97.585   40.868     101.209  17.049  8.1788  16.890  8.1585  0.1592255      11.55222 
1 1 1 -26 20  31 o 16.216  7.4431  40.886     66.679   63.483     96.049   19.865     92.640   17.423  8.2908  15.991  7.7445  1.431273       11.34526 
1 1 1 -26 20  32 f 19.717  9.1142  135.568    102.492  -52.1284   264.703  168.671    111.163  ?       ?       20.584  9.5068  0.000000       9.506790 
1 1 1 -26 20  33 o 17.293  8.2512  75.046     96.475   -173.7602  244.073  121.118    105.028  ?       ?       18.693  8.8279  0.000000       8.827918 
1 1 1 -26 20  34 o 18.944  8.9346  145.044    106.913  494.999    277.026  83.798     115.892  ?       ?       16.991  8.3235  0.000000       8.323512 
1 1 1 -26 21  1  o 18.138  8.2165  41.019     77.876   -7.0414    111.785  86.339     108.552  17.603  8.5205  20.636  9.4812  -3.033209      12.74724 
1 1 1 -26 21  2  o 30.067  9.8019  201.880    82.119   204.298    118.366  199.636    114.023  25.886  10.944  25.967  10.845  -0.8134842E-01 15.40784 
1 1 1 -26 21  3  o 21.389  9.9626  108.223    126.071  141.680    140.688  -28.1546   284.044  22.317  10.438  ?       ?       0.000000       10.43767 
1 1 1 -26 21  4  o 18.675  9.0152  20.530     123.135  41.876     137.049  -68.8706   280.472  19.495  9.4359  ?       ?       0.000000       9.435904 
1 1 1 -26 21  5  o 17.619  8.5645  -10.7544   116.031  -28.2755   127.272  75.491     282.372  17.598  8.6415  20.839  10.579  -3.241837      13.65994 
1 1 1 -26 21  6  o 20.076  9.1661  75.908     99.337   108.717    107.978  -104.8099  253.419  21.475  9.7064  ?       ?       0.000000       9.706416 
1 1 1 -26 21  7  o 27.619  9.2843  165.696    73.521   105.693    101.951  230.710    106.123  21.356  9.5602  28.516  10.938  -7.159565      14.52744 
1 1 1 -26 21  8  o 15.324  7.2120  -5.5776    68.977   -5.4900    99.019   -5.6602    96.142   16.970  8.1655  16.839  8.0884  0.1310329      11.49338 
1 1 1 -26 21  9  o 21.312  8.8178  96.943     74.369   59.952     105.433  133.573    104.917  19.270  9.0201  22.440  9.8907  -3.169662      13.38612 
1 1 1 -26 21  10 o 11.570  5.7773  -112.1817  66.463   -77.3153   93.405   -147.9384  94.590   14.624  7.2235  13.255  6.6572  1.369350       9.823310 
1 1 1 -26 21  11 o 21.536  9.4993  115.923    96.962   96.800     105.588  218.824    244.934  20.486  9.3895  21.568  10.817  -1.082491      14.32347 
1 1 1 -26 21  12 o 17.577  8.4101  21.335     101.722  21.335     101.722  0.0000     0.0000   17.577  8.4101  ?       ?       0.000000       8.410087 
1 1 1 -26 21  13 o 19.337  9.7639  44.365     219.067  44.365     219.067  0.0000     0.0000   19.337  9.7639  ?       ?       0.000000       9.763883 
1 1 1 -26 21  14 o 15.843  7.7775  -35.2027   102.829  160.087    216.720  -91.9419   116.816  20.460  10.248  15.294  7.6401  5.166426       12.78279 
1 1 1 -26 21  15 o 29.023  10.352  230.830    92.014   290.463    228.680  219.311    100.510  21.711  10.821  26.715  10.532  -5.004784      15.09999 
1 1 1 -26 21  16 o 24.077  9.1751  144.565    74.358   326.737    121.441  35.305     94.049   30.151  11.665  17.352  8.2417  12.79830       14.28271 
1 1 1 -26 21  17 o 20.121  8.3848  91.833     67.935   -7.8880    108.400  156.331    87.179   16.355  8.0201  23.362  9.5940  -7.006634      12.50466 
1 1 1 -26 21  18 o 14.797  6.9757  4.0458     65.056   64.810     114.421  -24.9800   79.081   18.196  8.7611  14.536  7.0668  3.660644       11.25595 
1 1 1 -26 21  19 o 13.666  6.5412  -15.2474   61.646   -16.4482   111.361  -14.7168   74.023   15.974  7.8897  14.486  6.9921  1.487975       10.54221 
1 1 1 -26 21  20 o 20.190  8.5706  103.762    73.053   134.438    118.806  85.113     92.635   19.853  9.3801  18.597  8.6205  1.256224       12.73965 
1 1 1 -26 21  21 o 14.739  6.8955  12.496     61.472   93.540     106.828  -27.6254   75.164   18.595  8.8177  13.981  6.8176  4.613688       11.14589 
1 1 1 -26 21  22 o 12.168  5.9894  -55.1146   62.327   -75.8756   128.957  -48.7867   71.195   15.151  7.6303  13.046  6.4177  2.104617       9.970387 
1 1 1 -26 21  23 o 19.181  8.7637  105.511    90.999   0.0000     0.0000   105.511    90.999   ?       ?       19.181  8.7637  0.000000       8.763678 
1 1 1 -26 21  24 o 20.665  9.1096  134.495    89.035   0.0000     0.0000   134.495    89.035   ?       ?       20.665  9.1096  0.000000       9.109550 
1 1 1 -26 21  25 o ?       ?       -352.0251  158.725  0.0000     0.0000   -352.0251  158.725  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 21  26 o 16.300  8.0872  7.9464     121.921  -13.0783   147.351  53.587     217.103  16.363  8.2300  ?       ?       0.000000       8.229956 
1 1 1 -26 21  27 o 14.589  7.0751  -10.0324   77.969   9.1263     84.611   -117.8815  200.748  15.467  7.4683  ?       ?       0.000000       7.468319 
1 1 1 -26 21  28 f 10.718  5.3726  -101.0891  60.080   -115.1706  79.755   -82.6145   91.353   12.097  6.0807  13.473  6.7342  -1.375165      9.073279 
1 1 1 -26 21  29 o 16.675  7.5250  50.195     64.601   144.026    89.609   -51.3428   93.217   21.130  9.2313  14.178  7.0407  6.951357       11.60983 
1 1 1 -26 21  30 f 17.413  7.8211  65.307     68.847   -20.5681   92.512   171.898    103.068  14.766  7.2737  21.310  9.5708  -6.544354      12.02110 
1 1 1 -26 21  31 o 14.173  7.0046  -31.9941   88.258   -173.4266  247.937  -11.4723   94.444   ?       ?       14.900  7.3419  0.000000       7.341853 
1 1 1 -26 21  32 o 14.332  7.0672  -17.1949   88.042   -388.3748  231.869  45.336     95.170   ?       ?       16.182  7.8403  0.000000       7.840267 
1 1 1 -26 21  33 o 14.168  7.0117  -15.7364   89.553   -261.3237  256.245  18.432     95.580   ?       ?       15.141  7.4460  0.000000       7.445980 
1 1 1 -26 22  1  o 22.170  10.127  141.962    121.418  78.307     134.018  433.545    286.833  19.969  9.5806  23.502  11.775  -3.533302      15.17998 
1 1 1 -26 22  2  o 16.996  8.3087  -21.3899   113.711  -24.0434   123.223  -6.1655    295.155  17.267  8.4841  ?       ?       0.000000       8.484126 
1 1 1 -26 22  3  f 15.681  7.7737  -76.2028   111.792  -129.5227  122.256  195.870    276.165  15.228  7.6375  21.296  10.774  -6.068563      13.20622 
1 1 1 -26 22  4  o 20.312  9.5548  91.727     120.810  90.922     132.882  95.564     290.085  20.271  9.6751  ?       ?       0.000000       9.675087 
1 1 1 -26 22  5  o 32.211  9.8343  234.960    83.908   273.091    122.493  201.251    115.172  28.446  11.487  25.116  10.714  3.329870       15.70794 
1 1 1 -26 22  6  o 12.597  6.2333  -86.2273   70.652   -101.0490  102.931  -73.0224   97.154   14.635  7.2890  14.894  7.3590  -0.2591534     10.35776 
1 1 1 -26 22  7  o 12.441  6.1163  -69.5990   64.326   -19.1035   94.363   -113.4353  87.921   16.102  7.8029  13.361  6.6676  2.741163       10.26359 
1 1 1 -26 22  8  o 24.364  9.2548  140.976    75.502   38.313     106.998  242.795    106.556  18.220  8.6924  28.294  10.932  -10.07424      13.96687 
1 1 1 -26 22  9  o 14.904  7.1061  -13.1017   71.277   -30.7905   101.027  4.4303     100.578  15.981  7.8168  16.932  8.1672  -0.9503956     11.30515 
1 1 1 -26 22  10 o 18.612  8.2527  63.272     74.120   86.897     104.129  39.009     105.528  19.712  9.1381  18.037  8.6125  1.675333       12.55702 
1 1 1 -26 22  11 o 24.030  11.791  450.068    235.550  450.068    235.550  0.0000     0.0000   24.030  11.791  ?       ?       0.000000       11.79144 
1 1 1 -26 22  12 o 21.702  10.803  287.556    224.879  287.556    224.879  0.0000     0.0000   21.702  10.803  ?       ?       0.000000       10.80272 
1 1 1 -26 22  13 o 22.062  9.7907  151.627    104.537  166.880    217.690  147.055    119.178  20.055  10.076  21.234  9.8198  -1.179079      14.06969 
1 1 1 -26 22  14 o 25.033  9.5553  167.889    80.733   47.604     113.707  290.168    114.646  17.918  8.6533  28.626  11.260  -10.70776      14.20061 
1 1 1 -26 22  15 o 23.849  9.1531  146.513    74.333   169.094    119.918  132.422    94.727   21.585  9.9349  21.198  9.3677  0.3871632      13.65492 
1 1 1 -26 22  16 o 20.630  8.5851  104.916    71.083   138.788    117.001  85.099     89.492   20.353  9.5191  18.869  8.6471  1.483788       12.86017 
1 1 1 -26 22  17 o 19.183  8.1187  83.467     65.244   70.440     114.268  89.768     79.473   18.058  8.7091  19.125  8.5097  -1.067724      12.17632 
1 1 1 -26 22  18 o 16.559  7.5504  44.027     67.116   121.584    110.245  -1.6464    84.601   19.520  9.1647  15.259  7.3926  4.261621       11.77463 
1 1 1 -26 22  19 o 16.629  7.5352  47.547     65.546   100.356    113.124  20.857     80.422   18.606  8.8933  15.775  7.5286  2.830810       11.65208 
1 1 1 -26 22  20 o 16.051  7.4894  35.383     71.753   193.324    118.284  -56.5737   90.255   21.434  9.8659  13.932  6.9198  7.502118       12.05075 
1 1 1 -26 22  21 o 13.469  6.5150  -19.5594   65.087   -21.5379   111.498  -18.5367   80.163   15.413  7.6617  14.347  7.0060  1.065754       10.38197 
1 1 1 -26 22  22 o 12.956  6.3722  -45.3659   70.082   147.426    136.400  -114.5145  81.689   19.106  9.2868  12.170  6.1220  6.935593       11.12310 
1 1 1 -26 22  23 o 19.773  8.9173  123.060    90.543   0.0000     0.0000   123.060    90.543   ?       ?       19.773  8.9173  0.000000       8.917280 
1 1 1 -26 22  24 o 20.597  10.383  444.034    242.082  0.0000     0.0000   444.034    242.082  ?       ?       20.597  10.383  0.000000       10.38328 
1 1 1 -26 22  25 o 14.627  7.3562  -74.6062   117.539  -164.2402  142.875  113.076    206.744  ?       ?       17.903  9.0850  0.000000       9.084987 
1 1 1 -26 22  26 o 13.354  6.5622  -40.6657   73.780   15.345     79.530   -386.5126  197.625  15.404  7.3877  ?       ?       0.000000       7.387686 
1 1 1 -26 22  27 o 12.131  5.9637  -50.2664   61.145   -127.9166  88.629   20.259     84.466   12.398  6.2540  15.698  7.5506  -3.300028      9.804322 
1 1 1 -26 22  28 f 14.110  6.6448  7.1439     58.734   -17.2810   79.689   36.192     86.904   14.290  6.9797  16.217  7.7631  -1.926474      10.43945 
1 1 1 -26 22  29 o 16.401  7.9172  42.811     94.934   -91.5433   249.899  65.471     102.628  ?       ?       17.116  8.2545  0.000000       8.254550 
1 1 1 -26 22  30 o 16.377  7.9072  49.023     94.809   -185.2292  254.019  86.936     102.193  ?       ?       17.521  8.3958  0.000000       8.395768 
1 1 1 -26 22  31 o 16.829  8.1727  75.425     105.003  109.351    260.234  68.828     114.759  ?       ?       16.626  8.1729  0.000000       8.172942 
1 1 1 -26 22  32 o 15.196  7.4619  28.106     94.876   135.105    261.424  11.876     101.817  ?       ?       14.925  7.4025  0.000000       7.402471 
1 1 1 -26 23  1  o 17.405  8.5249  0.3118     121.387  -13.1168   134.594  58.842     280.997  17.454  8.6305  ?       ?       0.000000       8.630517 
1 1 1 -26 23  2  o 18.090  8.7450  32.232     116.831  -11.2813   128.020  249.020    285.750  17.321  8.5370  20.987  10.653  -3.666241      13.65147 
1 1 1 -26 23  3  o 14.897  7.1186  -14.0594   72.364   -118.9222  124.816  39.034     88.814   15.250  7.6581  17.700  8.2832  -2.450128      11.28084 
1 1 1 -26 23  4  o 20.944  8.9162  102.608    79.473   164.064    116.922  49.834     108.350  22.549  10.154  18.416  8.7750  4.132980       13.42060 
1 1 1 -26 23  5  o 17.443  7.9728  42.048     75.412   177.012    115.117  -59.4102   99.811   23.155  10.275  15.131  7.4728  8.024099       12.70512 
1 1 1 -26 23  6  o 19.164  8.4642  74.518     77.230   20.690     113.929  120.282    105.049  17.582  8.5326  20.947  9.5102  -3.364614      12.77692 
1 1 1 -26 23  7  o 15.838  7.4786  8.4517     75.333   3.6626     109.249  12.793     104.017  16.959  8.2584  17.057  8.2468  -0.9803963E-01 11.67099 
1 1 1 -26 23  8  o 54.854  7.0874  516.822    92.126   587.877    131.375  448.077    129.223  48.065  11.432  37.380  12.301  10.68452       16.79288 
1 1 1 -26 23  9  o 38.884  12.115  460.965    126.605  367.945    245.630  494.619    147.743  22.019  11.011  35.132  13.030  -13.11361      17.05930 
1 1 1 -26 23  10 o 17.732  8.9827  -30.1320   196.301  -30.1320   196.301  0.0000     0.0000   17.732  8.9827  ?       ?       0.000000       8.982663 
1 1 1 -26 23  11 o 22.406  11.126  404.152    232.834  404.152    232.834  0.0000     0.0000   22.406  11.126  ?       ?       0.000000       11.12641 
1 1 1 -26 23  12 o 19.507  9.8324  161.902    216.561  161.902    216.561  0.0000     0.0000   19.507  9.8324  ?       ?       0.000000       9.832394 
1 1 1 -26 23  13 o 15.102  7.1881  3.8372     72.278   8.3932     104.642  -0.3197    99.953   16.412  8.0121  16.053  7.8353  0.3594723      11.20654 
1 1 1 -26 23  14 o 13.559  6.5349  -21.4969   64.069   81.395     103.559  -85.3013   81.550   18.427  8.7218  12.982  6.4693  5.445059       10.85917 
1 1 1 -26 23  15 o 15.693  7.2656  27.902     65.513   14.725     102.288  37.066     85.305   16.276  7.9403  16.602  7.8746  -0.3254452     11.18294 
1 1 1 -26 23  16 o 24.714  9.3587  171.487    77.057   296.182    122.703  90.284     99.018   25.815  11.037  18.465  8.6745  7.349840       14.03752 
1 1 1 -26 23  17 o 42.018  8.8955  380.649    87.866   512.072    134.352  282.426    116.148  36.180  12.541  25.764  10.864  10.41669       16.59248 
1 1 1 -26 23  18 o 20.222  8.5914  112.423    73.517   149.759    120.081  90.037     92.980   19.646  9.3256  18.286  8.5300  1.360226       12.63837 
1 1 1 -26 23  19 o 21.196  8.7662  127.742    73.457   89.703     126.771  146.969    90.129   17.805  8.7191  20.961  9.2051  -3.155598      12.67897 
1 1 1 -26 23  20 o 11.895  5.9064  -69.3727   65.535   -87.0988   109.111  -59.3688   81.968   14.030  7.0598  13.271  6.5923  0.7587376      9.659163 
1 1 1 -26 23  21 o 15.525  7.3091  29.227     70.978   192.478    124.326  -49.7092   86.452   20.506  9.6603  13.712  6.8043  6.794230       11.81605 
1 1 1 -26 23  22 o 10.883  5.5103  -147.0501  73.206   0.0000     0.0000   -147.0501  73.206   ?       ?       10.883  5.5103  0.000000       5.510264 
1 1 1 -26 23  23 o ?       ?       -182.1309  242.271  0.0000     0.0000   -182.1309  242.271  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 23  24 f ?       ?       164.408    233.570  0.0000     0.0000   164.408    233.570  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 23  25 o 23.556  9.4597  175.408    82.569   281.301    136.046  113.654    103.892  22.773  10.518  18.768  8.8380  4.005659       13.73786 
1 1 1 -26 23  26 o 13.736  6.4934  2.2718     57.079   20.163     81.108   -15.2834   80.343   15.467  7.4293  14.321  6.9974  1.146090       10.20573 
1 1 1 -26 23  27 o 15.219  7.0466  29.532     61.637   39.240     90.000   20.956     84.587   16.192  7.7897  15.503  7.4810  0.6889124      10.80023 
1 1 1 -26 23  28 o 15.055  7.2471  16.430     78.177   -386.8476  242.324  63.279     82.593   ?       ?       16.860  7.9209  0.000000       7.920933 
1 1 1 -26 23  29 o 11.807  5.9260  -93.0355   74.293   -24.2742   242.163  -100.1797  78.057   ?       ?       11.921  5.9949  0.000000       5.994934 
1 1 1 -26 23  30 f 17.161  8.1461  88.868     91.632   -3.1214    261.852  101.705    97.816   ?       ?       17.464  8.3261  0.000000       8.326079 
1 1 1 -26 23  31 o 14.159  6.9898  0.0883     87.020   -394.9412  236.012  62.240     93.615   ?       ?       15.893  7.7179  0.000000       7.717876 
1 1 1 -26 24  1  o 30.091  8.9273  196.645    69.877   79.954     111.959  271.105    89.434   19.010  9.0183  32.949  10.169  -13.93830      13.59175 
1 1 1 -26 24  2  f 28.914  9.8375  212.627    82.554   175.137    120.156  246.148    113.616  22.239  10.125  26.292  10.890  -4.052895      14.87022 
1 1 1 -26 24  3  o 21.011  8.8945  109.784    78.336   77.044     116.069  137.172    106.160  18.875  9.0182  21.239  9.6099  -2.364504      13.17869 
1 1 1 -26 24  4  o 17.191  7.9436  42.058     77.763   6.5085     115.603  71.438     105.094  16.959  8.3092  18.645  8.8130  -1.685574      12.11248 
1 1 1 -26 24  5  o 19.689  8.5961  90.016     77.592   80.056     118.303  97.535     102.788  18.864  9.0376  19.561  9.0719  -0.6968517     12.80537 
1 1 1 -26 24  6  o 15.600  7.4438  4.7990     78.555   155.555    116.754  -119.8991  106.185  21.351  9.8183  13.991  7.0306  7.359870       12.07594 
1 1 1 -26 24  7  o 24.772  9.5835  169.240    81.965   167.965    116.824  170.477    115.029  21.724  9.9269  21.921  9.9523  -0.1975403     14.05676 
1 1 1 -26 24  8  o 18.479  8.6435  74.593     96.529   336.643    200.971  -3.9919    110.055  22.194  10.891  16.342  8.0273  5.852070       13.52949 
1 1 1 -26 24  9  o 22.528  9.8750  173.285    103.309  127.340    211.607  187.663    118.376  18.979  9.5849  22.142  10.069  -3.163124      13.90188 
1 1 1 -26 24  10 o 19.536  9.8842  212.199    232.874  212.199    232.874  0.0000     0.0000   19.536  9.8842  ?       ?       0.000000       9.884154 
1 1 1 -26 24  11 o 18.744  8.8929  94.611     108.923  94.611     108.923  0.0000     0.0000   18.744  8.8929  ?       ?       0.000000       8.892938 
1 1 1 -26 24  12 o 14.069  6.7971  -16.1105   70.345   27.565     95.545   -67.8121   103.953  16.448  7.9404  14.460  7.2211  1.988159       10.73286 
1 1 1 -26 24  13 o 18.746  7.9883  80.834     63.906   104.664    108.815  68.288     78.957   18.767  8.8995  17.711  8.1183  1.056747       12.04607 
1 1 1 -26 24  14 o 13.227  6.3670  -17.6555   60.335   -120.7356  102.366  37.217     74.687   13.323  6.7208  16.155  7.5715  -2.832286      10.12402 
1 1 1 -26 24  15 o 22.917  9.0061  148.597    73.286   311.168    113.812  33.439     95.788   27.494  11.083  16.303  7.8905  11.19098       13.60498 
1 1 1 -26 24  16 o 20.725  8.6693  121.649    73.016   149.470    116.618  103.711    93.643   19.545  9.2521  18.652  8.6534  0.8930111      12.66817 
1 1 1 -26 24  17 o 14.345  6.8342  6.4061     65.660   77.029     116.268  -26.6637   79.562   17.392  8.4806  13.923  6.8363  3.468843       10.89285 
1 1 1 -26 24  18 o 19.044  8.0002  90.571     62.599   -21.1679   121.469  130.980    73.046   15.381  7.6998  21.194  8.7515  -5.812389      11.65657 
1 1 1 -26 24  19 o 12.743  6.1417  -18.0838   56.576   52.334     110.745  -42.9520   65.812   16.666  8.1584  12.573  6.1823  4.092289       10.23627 
1 1 1 -26 24  20 o 25.007  9.5664  195.992    81.033   131.540    131.019  235.919    103.121  18.342  8.9568  24.018  10.188  -5.675276      13.56555 
1 1 1 -26 24  21 o ?       ?       -25.9970   311.137  0.0000     0.0000   -25.9970   311.137  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 24  22 o ?       ?       -228.1228  301.488  0.0000     0.0000   -228.1228  301.488  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 24  23 o ?       ?       -29.8155   289.451  0.0000     0.0000   -29.8155   289.451  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 24  24 o ?       ?       -158.5679  47.547   -401.0619  107.400  -99.4565   53.026   ?       ?       9.8949  4.9717  0.000000       4.971656 
1 1 1 -26 24  25 o 16.665  7.3860  56.212     59.302   3.5802     87.251   101.402    80.847   14.984  7.3151  18.721  8.4359  -3.736787      11.16575 
1 1 1 -26 24  26 o 11.914  5.8067  -33.5116   54.326   -105.3361  77.552   35.693     76.125   11.863  5.9672  15.674  7.4359  -3.810954      9.534194 
1 1 1 -26 24  27 f 17.990  8.4269  101.911    92.320   298.709    256.529  72.630     98.950   ?       ?       16.878  8.1316  0.000000       8.131590 
1 1 1 -26 24  28 o 14.706  7.1729  12.023     83.334   88.079     250.810  2.5848     88.354   ?       ?       14.580  7.1680  0.000000       7.168019 
1 1 1 -26 24  29 o 16.458  7.8577  74.720     87.788   -15.6160   257.977  86.551     93.360   ?       ?       16.771  8.0332  0.000000       8.033250 
1 1 1 -26 25  1  o 10.417  5.2066  -94.2827   54.553   -80.4088   112.021  -98.5960   62.461   14.792  7.4030  11.149  5.5720  3.642815       9.265615 
1 1 1 -26 25  2  o 11.536  5.7651  -99.4338   66.789   -73.5045   105.192  -116.9465  86.450   14.610  7.2912  12.726  6.3879  1.884764       9.693698 
1 1 1 -26 25  3  o 11.603  5.8204  -113.6452  71.176   -92.3865   107.837  -130.0559  94.746   14.367  7.2014  13.015  6.5531  1.352023       9.736690 
1 1 1 -26 25  4  o 15.864  7.4755  21.659     74.556   71.516     114.916  -14.5813   97.975   18.161  8.7527  15.554  7.6267  2.606586       11.60931 
1 1 1 -26 25  5  o 16.756  7.8093  41.488     77.652   84.087     120.297  11.060     101.670  18.433  8.9015  16.290  7.9404  2.143059       11.92836 
1 1 1 -26 25  6  o 30.035  11.710  359.295    123.103  59.489     272.326  436.292    138.009  ?       ?       31.410  12.354  0.000000       12.35394 
1 1 1 -26 25  7  o 20.590  9.4860  148.976    109.679  340.544    227.749  91.133     125.147  20.664  10.372  18.423  8.9412  2.240961       13.69417 
1 1 1 -26 25  8  o 18.095  8.6107  78.945     103.601  181.880    205.462  43.852     119.968  19.071  9.6082  17.189  8.4306  1.881943       12.78245 
1 1 1 -26 25  9  o ?       ?       -99.5534   191.491  -99.5534   191.491  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 25  10 o 17.619  8.4773  71.021     106.668  71.021     106.668  0.0000     0.0000   17.619  8.4773  ?       ?       0.000000       8.477324 
1 1 1 -26 25  11 o 13.408  6.6009  -42.3705   75.815   -52.9374   101.831  -29.2282   113.564  14.435  7.1988  15.280  7.6174  -0.8450842     10.48085 
1 1 1 -26 25  12 o 12.507  6.2076  -65.5496   72.117   -64.6395   101.398  -66.4811   102.591  14.123  7.0647  14.138  7.0774  -0.1540565E-01 9.999935 
1 1 1 -26 25  13 o 10.180  5.0955  -89.1686   53.138   -198.0892  97.978   -43.7795   63.248   ?       ?       12.410  6.0937  0.000000       6.093747 
1 1 1 -26 25  14 o 21.313  8.7197  130.779    71.678   68.502     111.885  174.131    93.350   17.099  8.3337  21.824  9.4800  -4.724888      12.62222 
1 1 1 -26 25  15 o 13.226  6.3673  -12.0647   60.410   -49.3145   106.014  5.8458     73.512   14.393  7.2034  14.560  7.0131  -0.1664028     10.05345 
1 1 1 -26 25  16 o 11.896  5.8115  -36.6632   55.322   -142.4096  102.918  6.3066     65.606   12.748  6.4625  14.198  6.7828  -1.450820      9.368601 
1 1 1 -26 25  17 o 12.163  5.9437  -34.9560   58.000   23.502     108.294  -58.4687   68.680   15.815  7.8054  12.274  6.0862  3.540768       9.897813 
1 1 1 -26 25  18 f 20.334  8.3462  114.145    65.933   2.5317     123.950  158.188    77.863   15.611  7.8093  22.266  9.0964  -6.654620      11.98869 
1 1 1 -26 25  19 o 13.880  6.6357  2.6685     63.048   84.038     111.291  -35.7884   76.510   17.237  8.3807  13.338  6.5788  3.899174       10.65445 
1 1 1 -26 25  20 o 15.505  7.7620  -3.6511    123.527  -84.0262   134.268  439.280    315.195  14.592  7.3959  ?       ?       0.000000       7.395917 
1 1 1 -26 25  21 o ?       ?       -163.0554  308.040  0.0000     0.0000   -163.0554  308.040  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 25  22 o ?       ?       209.986    333.173  0.0000     0.0000   209.986    333.173  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 25  23 o 12.033  5.9725  -62.4690   66.783   -15.7872   121.938  -82.4709   79.818   15.303  7.6685  12.460  6.2379  2.843369       9.885213 
1 1 1 -26 25  24 o 15.641  7.1909  41.437     62.578   22.197     93.428   57.092     84.274   15.474  7.5576  16.479  7.8196  -1.005516      10.87491 
1 1 1 -26 25  25 f 15.315  7.0619  37.645     60.976   -14.5283   89.483   82.872     83.312   14.327  7.0758  17.375  8.0950  -3.048040      10.75158 
1 1 1 -26 25  26 o 15.769  7.6529  43.881     91.675   118.251    246.834  31.980     98.738   ?       ?       15.518  7.6186  0.000000       7.618622 
1 1 1 -26 25  27 o 16.905  8.0175  86.148     88.362   218.443    237.353  64.863     95.205   ?       ?       16.134  7.8229  0.000000       7.822927 
1 1 1 -26 25  28 o 16.527  7.8911  85.557     88.546   34.389     257.155  92.440     94.314   ?       ?       16.633  7.9952  0.000000       7.995157 
1 1 1 -26 26  1  o 42.240  8.6664  373.050    85.845   358.489    137.601  382.329    109.843  26.569  11.525  34.616  11.339  -8.046896      16.16805 
1 1 1 -26 26  2  o 23.135  8.9571  144.461    71.644   115.874    114.276  162.973    91.960   19.010  9.0454  22.146  9.5134  -3.136379      13.12723 
1 1 1 -26 26  3  o 16.723  7.7779  47.992     76.401   5.1099     116.877  79.988     100.958  16.174  8.0057  17.993  8.5440  -1.819029      11.70858 
1 1 1 -26 26  4  o 18.386  8.7698  96.190     108.801  410.183    253.443  25.250     120.467  20.268  10.261  16.604  8.2021  3.663837       13.13623 
1 1 1 -26 26  5  o 18.014  8.5457  83.923     100.542  86.307     255.285  83.485     109.383  ?       ?       17.925  8.6147  0.000000       8.614726 
1 1 1 -26 26  6  o 16.376  7.9813  31.391     102.624  -152.5424  239.238  72.868     113.608  ?       ?       17.539  8.5136  0.000000       8.513576 
1 1 1 -26 26  7  o 21.754  9.9196  206.866    115.872  307.374    256.082  180.991    129.935  ?       ?       20.054  9.5703  0.000000       9.570346 
1 1 1 -26 26  8  o 15.397  7.6110  -4.9096    104.364  -24.1712   111.615  129.040    294.340  15.194  7.5707  ?       ?       0.000000       7.570741 
1 1 1 -26 26  9  o 17.102  8.3588  66.415     114.869  66.415     114.869  0.0000     0.0000   17.102  8.3588  ?       ?       0.000000       8.358848 
1 1 1 -26 26  10 o 14.709  7.3177  -28.5956   102.573  -28.5956   102.573  0.0000     0.0000   14.709  7.3177  ?       ?       0.000000       7.317730 
1 1 1 -26 26  11 o 14.418  6.9856  0.0441     75.561   76.552     105.721  -79.8497   108.035  17.203  8.3167  13.920  7.0072  3.282536       10.87513 
1 1 1 -26 26  12 o 18.270  7.8791  83.628     63.562   119.606    109.432  65.311     78.085   18.323  8.7552  16.900  7.8612  1.423674       11.76654 
1 1 1 -26 26  13 o 17.577  7.7824  75.458     65.684   94.129     110.489  65.253     81.686   17.473  8.4612  16.803  7.8889  0.6703606      11.56834 
1 1 1 -26 26  14 o 12.198  5.9888  -39.4497   61.040   13.846     105.424  -66.3259   74.865   15.434  7.6329  12.436  6.1972  2.998024       9.831933 
1 1 1 -26 26  15 o 15.899  7.1567  48.022     58.007   3.1535     110.330  65.163     68.193   15.266  7.5937  16.827  7.6485  -1.561496      10.77790 
1 1 1 -26 26  16 o 22.295  8.8419  149.743    71.240   299.588    121.815  71.856     87.824   23.753  10.554  16.875  8.0001  6.877525       13.24309 
1 1 1 -26 26  17 f 17.264  7.3111  66.706     52.959   -134.2490  102.549  139.791    61.844   12.702  6.4406  22.969  8.4460  -10.26687      10.62154 
1 1 1 -26 26  18 o 17.934  7.9380  85.206     68.284   76.255     122.474  89.243     82.255   16.786  8.2876  17.667  8.1659  -0.8813496     11.63467 
1 1 1 -26 26  19 o 14.315  7.2281  -66.2205   119.984  -71.5640   129.768  -34.7392   314.977  14.498  7.3399  ?       ?       0.000000       7.339889 
1 1 1 -26 26  20 o ?       ?       -493.4618  292.439  0.0000     0.0000   -493.4618  292.439  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 26  21 o 16.286  7.5190  54.548     69.438   0.0000     0.0000   54.548     69.438   ?       ?       16.286  7.5190  0.000000       7.518976 
1 1 1 -26 26  22 o 12.219  5.9916  -36.4468   60.481   -33.3192   108.880  -37.8425   72.736   14.528  7.2750  12.982  6.4055  1.545525       9.693128 
1 1 1 -26 26  23 o 13.307  6.3887  -3.4882    59.809   106.192    95.104   -75.2432   76.924   17.875  8.4293  12.284  6.1458  5.591558       10.43187 
1 1 1 -26 26  24 o 13.761  6.7519  -12.1933   77.188   -31.8312   236.760  -9.8578    81.649   ?       ?       13.995  6.8823  0.000000       6.882251 
1 1 1 -26 26  25 o 13.474  6.6237  -15.0605   75.404   -252.2159  237.275  11.581     79.527   ?       ?       14.386  7.0144  0.000000       7.014436 
1 1 1 -26 26  26 o 14.800  7.2154  29.788     84.082   136.994    228.835  13.055     90.406   ?       ?       14.460  7.1360  0.000000       7.136036 
1 1 1 -26 26  27 o 13.358  6.6287  -13.9471   82.036   240.660    248.682  -45.0378   86.901   ?       ?       12.867  6.4514  0.000000       6.451399 
1 1 1 -26 27  1  o 14.506  6.9942  1.4413     73.574   -72.0128   193.185  13.903     79.570   ?       ?       15.153  7.2981  0.000000       7.298141 
1 1 1 -26 27  2  o 16.839  7.8208  58.913     76.811   153.740    203.837  43.220     82.923   17.958  9.1030  16.238  7.7201  1.720207       11.93582 
1 1 1 -26 27  3  o 22.156  9.9297  214.362    110.319  -81.8283   232.865  300.075    125.268  ?       ?       24.297  10.753  0.000000       10.75314 
1 1 1 -26 27  4  o 15.374  7.5819  3.7966     101.481  72.839     233.109  -12.3479   112.723  ?       ?       15.296  7.6196  0.000000       7.619627 
1 1 1 -26 27  5  o 19.874  9.2386  158.661    107.565  576.239    249.661  63.480     119.195  20.912  10.543  16.873  8.3012  4.038767       13.41854 
1 1 1 -26 27  6  f 13.469  6.6378  -34.0433   77.304   -38.3402   115.196  -30.5230   104.267  14.802  7.4225  14.633  7.2957  0.1686029      10.40779 
1 1 1 -26 27  7  o 16.814  7.8615  64.232     79.707   168.714    120.997  -15.8689   105.943  19.367  9.2405  14.917  7.4237  4.449511       11.85323 
1 1 1 -26 27  8  o 17.282  8.4750  91.933     121.110  91.933     121.110  0.0000     0.0000   17.282  8.4750  ?       ?       0.000000       8.474969 
1 1 1 -26 27  9  o 18.649  8.9679  147.789    118.946  147.789    118.946  0.0000     0.0000   18.649  8.9679  ?       ?       0.000000       8.967866 
1 1 1 -26 27  10 o 17.555  8.1000  85.701     80.419   98.461     114.863  73.432     112.630  17.352  8.4541  16.759  8.2092  0.5928955      11.78400 
1 1 1 -26 27  11 o 16.276  7.3581  55.863     62.083   93.557     108.908  37.718     75.563   17.229  8.3568  15.495  7.3678  1.733547       11.14090 
1 1 1 -26 27  12 o 19.060  8.1291  102.364    66.282   268.930    114.422  18.242     81.315   23.086  10.244  14.894  7.2235  8.191895       12.53489 
1 1 1 -26 27  13 o 11.394  5.6701  -66.2596   61.749   -37.9447   94.228   -87.5704   81.747   13.867  6.9170  12.298  6.1785  1.568297       9.274668 
1 1 1 -26 27  14 o 21.343  8.9898  156.243    79.379   251.189    115.152  70.271     109.575  22.060  9.9923  16.500  8.0854  5.559519       12.85383 
1 1 1 -26 27  15 o 16.488  7.4686  61.913     64.330   73.963     103.436  54.313     82.150   16.608  8.0759  16.056  7.6478  0.5520916      11.12247 
1 1 1 -26 27  16 o 14.240  6.7097  19.229     60.042   -2.8951    111.949  28.162     71.139   14.976  7.4813  14.941  7.1169  0.3536320E-01  10.32569 
1 1 1 -26 27  17 o 16.174  8.0296  55.493     120.966  48.201     127.517  121.032    382.301  16.059  8.0162  ?       ?       0.000000       8.016178 
1 1 1 -26 27  18 o ?       ?       -229.8711  99.277   -185.1008  103.877  -702.0533  337.350  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 27  19 o ?       ?       680.920    366.968  0.0000     0.0000   680.920    366.968  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 27  20 o 18.014  8.3809  106.451    88.805   0.0000     0.0000   106.451    88.805   ?       ?       18.014  8.3809  0.000000       8.380927 
1 1 1 -26 27  21 o 15.765  7.5395  47.298     81.522   648.679    304.282  0.7937     84.615   ?       ?       14.389  7.0621  0.000000       7.062062 
1 1 1 -26 27  22 o 14.644  6.9288  27.181     65.244   101.423    110.422  -12.6418   80.871   17.063  8.3079  13.821  6.8068  3.242233       10.74026 
1 1 1 -26 27  23 o 17.631  8.1833  103.568    83.880   383.686    248.089  67.413     89.129   ?       ?       16.158  7.7681  0.000000       7.768076 
1 1 1 -26 27  24 o 9.5205  4.8344  -135.0393  59.267   208.555    232.903  -158.8291  61.284   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 27  25 o 12.735  6.2982  -23.6244   71.810   -363.6463  237.818  10.487     75.326   ?       ?       13.818  6.7567  0.000000       6.756673 
1 1 1 -26 27  26 o 19.166  8.8486  188.972    96.166   28.222     244.983  218.253    104.558  ?       ?       19.492  9.0768  0.000000       9.076827 
1 1 1 -26 28  1  o 16.113  7.6171  50.424     78.542   5.9842     198.344  58.689     85.534   ?       ?       16.439  7.8232  0.000000       7.823174 
1 1 1 -26 28  2  o 20.747  9.0064  150.465    84.154   289.161    200.544  120.822    92.712   18.768  9.4599  18.677  8.6457  0.9044838E-01  12.81558 
1 1 1 -26 28  3  o 23.279  9.8314  216.944    95.344   344.172    226.659  189.592    105.094  18.703  9.4931  20.747  9.4553  -2.044117      13.39861 
1 1 1 -26 28  4  o 15.571  7.4326  38.438     78.458   -62.1636   116.085  123.037    106.453  14.214  7.1688  18.155  8.6639  -3.940886      11.24522 
1 1 1 -26 28  5  f 14.894  7.1730  21.229     76.819   -27.4620   117.996  57.047     101.205  14.763  7.4173  16.262  7.9256  -1.499292      10.85505 
1 1 1 -26 28  6  o 20.485  8.8984  146.984    82.251   89.353     124.843  191.185    109.334  16.876  8.3387  20.253  9.3798  -3.376572      12.55052 
1 1 1 -26 28  7  o 14.425  7.2620  -41.5066   116.193  -41.5066   116.193  0.0000     0.0000   14.425  7.2620  ?       ?       0.000000       7.262045 
1 1 1 -26 28  8  f 17.808  8.7147  139.521    126.022  139.521    126.022  0.0000     0.0000   17.808  8.7147  ?       ?       0.000000       8.714730 
1 1 1 -26 28  9  o 21.044  9.9073  270.988    130.390  270.988    130.390  0.0000     0.0000   21.044  9.9073  ?       ?       0.000000       9.907330 
1 1 1 -26 28  10 o 15.447  7.3905  41.266     78.518   111.439    117.160  -15.9474   105.790  17.237  8.4283  14.504  7.2494  2.733128       11.11711 
1 1 1 -26 28  11 o 18.399  8.1514  102.836    72.166   120.519    107.863  88.506     97.101   17.648  8.4992  16.924  8.1290  0.7240181      11.76082 
1 1 1 -26 28  12 o 25.940  9.6154  223.048    80.441   235.528    118.808  212.484    109.308  20.686  9.6472  20.671  9.5035  0.1486397E-01  13.54202 
1 1 1 -26 28  13 o 13.278  6.4427  -7.1932    64.894   77.030     100.938  -66.5324   84.725   16.498  8.0121  12.743  6.3867  3.754488       10.24614 
1 1 1 -26 28  14 o 11.675  5.8103  -61.0729   64.891   -91.7042   94.337   -33.5632   89.401   12.747  6.4327  13.619  6.7846  -0.8726778     9.349352 
1 1 1 -26 28  15 o 12.628  6.3880  -107.1566  96.913   -126.5403  99.762   217.718    408.420  12.479  6.3302  ?       ?       0.000000       6.330225 
1 1 1 -26 28  16 o 16.679  8.2586  92.079     124.795  58.624     131.675  387.385    391.204  16.056  8.0343  ?       ?       0.000000       8.034345 
1 1 1 -26 28  17 o 21.182  10.012  292.554    135.649  284.220    144.005  358.179    404.091  20.315  9.7925  ?       ?       0.000000       9.792541 
1 1 1 -26 28  18 o 13.927  7.0304  -61.6125   113.163  -16.0787   118.622  -522.4777  377.386  14.748  7.4133  ?       ?       0.000000       7.413291 
1 1 1 -26 28  19 o 16.171  7.6159  61.874     77.171   0.0000     0.0000   61.874     77.171   ?       ?       16.171  7.6159  0.000000       7.615917 
1 1 1 -26 28  20 o 12.845  6.3195  -25.7997   69.099   0.0000     0.0000   -25.7997   69.099   ?       ?       12.845  6.3195  0.000000       6.319456 
1 1 1 -26 28  21 o 11.412  5.6399  -45.5336   57.176   -63.5910   107.205  -38.3555   67.592   13.509  6.8223  12.333  6.1017  1.175533       9.152837 
1 1 1 -26 28  22 o 11.851  5.9002  -52.4397   67.186   186.995    234.706  -73.8108   70.120   ?       ?       11.547  5.7904  0.000000       5.790403 
1 1 1 -26 28  23 o 15.860  7.5444  71.870     79.385   296.370    249.297  46.537     83.745   ?       ?       14.982  7.2810  0.000000       7.280985 
1 1 1 -26 28  24 o 19.095  8.6504  165.246    86.326   101.279    257.721  173.330    91.619   ?       ?       18.938  8.7044  0.000000       8.704389 
1 1 1 -26 29  1  o 17.473  7.9072  86.014     71.917   84.955     119.869  86.609     89.892   16.590  8.1925  17.002  8.0702  -0.4121857     11.49978 
1 1 1 -26 29  2  o 14.308  6.8566  16.991     68.189   87.412     118.617  -17.7679   83.335   16.623  8.1979  13.775  6.8075  2.848604       10.65590 
1 1 1 -26 29  3  o 16.334  7.5563  64.018     70.660   93.262     121.466  49.060     86.872   16.690  8.2428  15.705  7.5791  0.9850111      11.19762 
1 1 1 -26 29  4  o 13.910  6.8283  -5.3975    79.236   51.263     118.464  -51.2671   106.588  15.830  7.8736  13.836  6.9642  1.994245       10.51161 
1 1 1 -26 29  5  o 15.351  7.3350  42.267     76.820   -31.4626   118.797  95.255     100.709  14.420  7.2699  16.940  8.1716  -2.520206      10.93735 
1 1 1 -26 29  6  o 14.700  7.1364  22.418     79.897   -51.6189   118.430  84.262     108.239  14.098  7.1252  16.504  8.0765  -2.405844      10.77026 
1 1 1 -26 29  7  o 15.276  7.6477  24.825     119.992  24.825     119.992  0.0000     0.0000   15.276  7.6477  ?       ?       0.000000       7.647658 
1 1 1 -26 29  8  f 15.257  7.6026  28.851     112.583  28.851     112.583  0.0000     0.0000   15.257  7.6026  ?       ?       0.000000       7.602600 
1 1 1 -26 29  9  o 21.617  9.7661  243.440    109.161  2.3039     276.421  287.994    118.819  ?       ?       22.289  10.117  0.000000       10.11744 
1 1 1 -26 29  10 o 22.196  9.6951  227.552    98.799   342.501    222.290  199.255    110.291  ?       ?       19.716  9.2278  0.000000       9.227832 
1 1 1 -26 29  11 o 12.740  6.2559  -23.3457   66.691   -30.2147   111.215  -19.4889   83.337   14.172  7.1310  13.584  6.7303  0.5882301      9.805496 
1 1 1 -26 29  12 f 12.694  6.2332  -23.9639   66.203   -21.4475   104.060  -25.6750   85.808   14.153  7.0910  13.529  6.7244  0.6242065      9.772403 
1 1 1 -26 29  13 o 13.065  6.3899  -14.1941   67.471   86.445     100.841  -95.7655   90.787   16.545  8.0289  12.411  6.2691  4.134069       10.18648 
1 1 1 -26 29  14 o 13.772  6.9383  -50.3227   107.147  -67.1987   111.506  152.922    386.967  13.644  6.8974  ?       ?       0.000000       6.897377 
1 1 1 -26 29  15 f 19.090  9.2412  220.467    131.573  219.251    139.270  230.567    401.334  18.693  9.1505  ?       ?       0.000000       9.150454 
1 1 1 -26 29  16 o 14.714  7.4037  -8.7147    119.989  -35.8750   126.008  255.390    392.933  14.430  7.2978  ?       ?       0.000000       7.297790 
1 1 1 -26 29  17 o 10.831  5.4394  -87.5190   63.030   4.2773     96.097   -156.8286  83.501   14.484  7.1851  ?       ?       0.000000       7.185128 
1 1 1 -26 29  18 o 12.024  5.9432  -40.0507   63.601   0.0000     0.0000   -40.0507   63.601   ?       ?       12.024  5.9432  0.000000       5.943185 
1 1 1 -26 29  19 f 17.236  8.1502  107.827    90.033   0.0000     0.0000   107.827    90.033   ?       ?       17.236  8.1502  0.000000       8.150230 
1 1 1 -26 29  20 o 18.040  8.3695  130.686    87.599   466.534    289.330  96.793     91.913   ?       ?       16.592  7.9536  0.000000       7.953591 
1 1 1 -26 29  21 o 13.489  6.5703  8.5285     69.261   -351.5690  229.371  44.656     72.652   ?       ?       14.801  7.0889  0.000000       7.088855 
1 1 1 -26 29  22 o 16.918  7.8359  104.313    76.313   -141.0341  229.751  134.738    80.907   ?       ?       18.033  8.2484  0.000000       8.248400 
1 1 1 -26 29  23 o 11.428  5.6872  -39.9846   62.142   -92.5367   220.298  -35.4416   64.772   ?       ?       11.693  5.8169  0.000000       5.816919 
1 1 1 -26 30  1  o 15.958  7.3935  61.123     68.012   33.670     118.916  74.468     82.910   15.257  7.6347  16.314  7.7454  -1.056480      10.87565 
1 1 1 -26 30  2  o 12.503  6.1531  -27.4618   65.678   -32.6422   117.727  -25.1210   79.137   14.187  7.1627  13.216  6.5498  0.9707747      9.705902 
1 1 1 -26 30  3  f 14.057  6.6949  20.700     62.900   -25.9784   115.218  40.518     75.075   14.220  7.1682  15.055  7.2091  -0.8341904     10.16631 
1 1 1 -26 30  4  o 16.830  7.7434  82.242     72.758   161.916    123.796  40.199     89.928   17.693  8.6539  15.147  7.4017  2.545788       11.38752 
1 1 1 -26 30  5  o 17.392  8.2704  116.077    95.255   -28.8561   251.687  140.307    102.909  ?       ?       17.888  8.5313  0.000000       8.531298 
1 1 1 -26 30  6  o 15.195  7.6207  34.316     121.642  34.316     121.642  0.0000     0.0000   15.195  7.6207  ?       ?       0.000000       7.620702 
1 1 1 -26 30  7  o 16.628  8.2440  117.146    125.828  117.146    125.828  0.0000     0.0000   16.628  8.2440  ?       ?       0.000000       8.243983 
1 1 1 -26 30  8  o 13.896  7.0135  -39.5439   112.383  -39.5439   112.383  0.0000     0.0000   13.896  7.0135  ?       ?       0.000000       7.013532 
1 1 1 -26 30  9  o 15.976  7.5753  67.163     78.807   -2.5292    118.566  122.318    105.478  14.562  7.3318  17.188  8.3088  -2.625353      11.08112 
1 1 1 -26 30  10 o 18.866  8.5061  135.093    82.331   155.516    116.449  114.680    116.419  17.720  8.6056  16.738  8.2287  0.9817181      11.90659 
1 1 1 -26 30  11 o 12.243  6.0811  -43.7467   69.678   60.359     111.549  -110.3553  89.226   15.629  7.7510  12.000  6.0765  3.629069       9.848900 
1 1 1 -26 30  12 o 15.915  7.9379  75.766     123.947  71.443     132.377  106.506    352.986  15.814  7.9338  ?       ?       0.000000       7.933779 
1 1 1 -26 30  13 o 13.369  6.7586  -68.5849   107.133  -84.8832   111.374  133.285    391.966  13.273  6.7281  ?       ?       0.000000       6.728063 
1 1 1 -26 30  14 o 15.499  7.7176  52.019     115.122  23.204     120.179  372.950    401.080  15.024  7.5401  ?       ?       0.000000       7.540130 
1 1 1 -26 30  15 o 12.305  6.1028  -39.9981   69.182   115.954    107.275  -151.0407  90.521   16.965  8.2438  ?       ?       0.000000       8.243806 
1 1 1 -26 30  16 o 14.247  6.8951  21.835     73.137   6.7108     107.511  34.863     99.784   14.493  7.2533  14.965  7.4056  -0.4727535     10.36597 
1 1 1 -26 30  17 f 17.308  8.3804  138.896    108.342  0.0000     0.0000   138.896    108.342  ?       ?       17.308  8.3804  0.000000       8.380383 
1 1 1 -26 30  18 o 20.401  9.4297  243.457    109.696  0.0000     0.0000   243.457    109.696  ?       ?       20.401  9.4297  0.000000       9.429698 
1 1 1 -26 30  19 f 17.122  8.1368  125.364    91.916   371.739    280.772  95.790     97.276   ?       ?       16.023  7.8008  0.000000       7.800776 
1 1 1 -26 30  20 o 13.984  6.8132  29.237     74.627   -53.0748   236.467  38.342     78.646   ?       ?       14.298  6.9727  0.000000       6.972651 
1 1 1 -26 30  21 f 21.131  9.3412  244.542    94.258   543.296    243.557  191.914    102.224  ?       ?       17.968  8.5512  0.000000       8.551189 
1 1 1 -26 31  1  o 17.012  7.7752  90.152     71.711   31.832     123.197  120.038    88.192   14.972  7.5298  17.564  8.2305  -2.591838      11.15522 
1 1 1 -26 31  2  o 19.322  8.2706  125.764    69.062   24.293     124.163  171.221    83.103   14.854  7.4817  20.469  8.9175  -5.614707      11.64036 
1 1 1 -26 31  3  o 19.213  8.6071  148.223    82.797   339.223    212.000  113.846    89.940   ?       ?       17.222  8.1444  0.000000       8.144395 
1 1 1 -26 31  4  o 14.171  6.9245  18.796     78.710   56.205     208.760  12.596     84.981   ?       ?       14.128  6.9619  0.000000       6.961876 
1 1 1 -26 31  5  o 14.487  7.0372  29.688     78.000   -38.2639   116.805  84.377     104.787  13.848  7.0056  15.969  7.8416  -2.121196      10.51520 
1 1 1 -26 31  6  o 16.245  8.0340  104.517    116.768  104.517    116.768  0.0000     0.0000   16.245  8.0340  ?       ?       0.000000       8.034028 
1 1 1 -26 31  7  o 16.410  8.1167  114.186    119.373  114.186    119.373  0.0000     0.0000   16.410  8.1167  ?       ?       0.000000       8.116722 
1 1 1 -26 31  8  o 21.446  9.0917  185.074    82.039   219.150    117.341  152.488    114.745  19.111  9.1135  17.403  8.4726  1.707981       12.44354 
1 1 1 -26 31  9  o 15.677  7.4659  63.965     78.192   27.786     118.232  92.091     104.245  14.862  7.4617  16.183  7.9208  -1.321368      10.88187 
1 1 1 -26 31  10 o ?       ?       -173.8152  113.729  -210.9413  130.104  -53.5457   234.168  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 31  11 o 18.442  8.9507  210.349    125.448  184.010    141.762  305.434    269.350  17.263  8.5908  ?       ?       0.000000       8.590780 
1 1 1 -26 31  12 o 15.788  7.8528  80.400     117.853  92.928     127.362  5.7808     310.843  15.939  7.9647  ?       ?       0.000000       7.964661 
1 1 1 -26 31  13 o 14.853  7.4660  28.436     120.248  34.823     125.248  -46.8132   429.904  14.979  7.5406  ?       ?       0.000000       7.540555 
1 1 1 -26 31  14 o 12.704  6.2598  -18.3957   68.677   -94.1282   107.555  33.736     89.236   12.797  6.4998  14.651  7.2028  -1.853311      9.701975 
1 1 1 -26 31  15 o 18.781  8.3196  132.326    75.155   33.928     110.111  218.147    102.833  14.714  7.3603  20.015  9.2076  -5.301089      11.78793 
1 1 1 -26 31  16 o 21.963  9.2575  208.858    84.274   228.433    126.456  193.219    113.035  18.202  8.8687  18.085  8.7074  0.1177921      12.42871 
1 1 1 -26 31  17 o 17.761  8.5727  187.693    111.245  0.0000     0.0000   187.693    111.245  ?       ?       17.761  8.5727  0.000000       8.572696 
1 1 1 -26 31  18 o 14.458  7.1869  48.132     98.097   0.0000     0.0000   48.132     98.097   ?       ?       14.458  7.1869  0.000000       7.186850 
1 1 1 -26 31  19 o 18.977  9.0129  258.997    112.441  460.257    252.331  209.132    125.600  ?       ?       16.800  8.3125  0.000000       8.312484 
1 1 1 -26 31  20 o 13.938  6.9022  47.635     87.247   -85.0828   189.739  83.222     98.251   ?       ?       14.652  7.2677  0.000000       7.267691 
1 1 1 -26 32  1  o 13.628  6.5733  16.658     65.140   -0.8198    119.920  23.974     77.585   14.240  7.1945  14.138  6.9013  0.1022701      9.969403 
1 1 1 -26 32  2  o 13.525  6.5958  9.3375     70.393   22.624     121.993  2.7056     86.188   14.593  7.3585  13.747  6.8171  0.8457661      10.03096 
1 1 1 -26 32  3  o 18.538  8.2928  130.821    76.572   242.311    128.590  69.570     95.312   18.612  9.0400  15.468  7.5714  3.144515       11.79186 
1 1 1 -26 32  4  o 16.403  7.5690  82.111     70.231   71.543     120.242  87.583     86.524   15.357  7.6835  16.134  7.7295  -0.7774401     10.89865 
1 1 1 -26 32  5  o 17.763  8.7153  205.591    128.579  205.591    128.579  0.0000     0.0000   17.763  8.7153  ?       ?       0.000000       8.715258 
1 1 1 -26 32  6  o 14.843  7.4047  41.744     108.073  41.744     108.073  0.0000     0.0000   14.843  7.4047  ?       ?       0.000000       7.404734 
1 1 1 -26 32  7  o 12.370  6.2047  -53.6064   80.751   30.343     113.182  -140.6451  115.245  14.682  7.3618  ?       ?       0.000000       7.361808 
1 1 1 -26 32  8  o 17.164  8.5250  188.387    136.914  164.655    149.936  307.482    335.880  16.477  8.2892  ?       ?       0.000000       8.289230 
1 1 1 -26 32  9  o ?       ?       -135.6735  106.163  -243.9254  118.286  312.700    240.734  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 32  10 o 13.131  6.6581  -66.7522   109.567  -1.1299    122.146  -337.0453  247.897  14.256  7.2076  ?       ?       0.000000       7.207573 
1 1 1 -26 32  11 o 16.102  8.0464  124.705    129.995  190.756    146.449  -120.6801  282.273  16.807  8.4196  ?       ?       0.000000       8.419585 
1 1 1 -26 32  12 o 16.308  7.7234  92.211     81.449   135.933    122.724  57.793     108.886  16.348  8.1113  15.014  7.4805  1.334285       11.03413 
1 1 1 -26 32  13 o 19.869  8.6452  162.337    77.893   209.747    109.861  114.412    110.457  18.621  8.8626  16.057  7.9171  2.564159       11.88387 
1 1 1 -26 32  14 o 14.589  6.9954  47.795     71.219   25.816     105.533  66.176     96.508   14.202  7.1194  15.015  7.4030  -0.8131943     10.27088 
1 1 1 -26 32  15 o 12.455  6.2752  -46.3058   87.695   0.0000     0.0000   -46.3058   87.695   ?       ?       12.455  6.2752  0.000000       6.275187 
1 1 1 -26 32  16 o 13.592  6.8011  15.168     94.284   0.0000     0.0000   15.168     94.284   ?       ?       13.592  6.8011  0.000000       6.801132 
1 1 1 -26 32  17 o ?       ?       -141.5596  88.747   0.0000     0.0000   -141.5596  88.747   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 32  18 f 14.769  7.3268  97.847     99.952   -32.9425   235.843  126.481    110.352  ?       ?       15.113  7.5300  0.000000       7.529977 
1 1 1 -26 33  1  o 17.730  7.8804  108.245    67.976   16.893     123.258  148.173    81.489   14.334  7.2466  18.689  8.4410  -4.354641      11.12489 
1 1 1 -26 33  2  o 11.674  5.7924  -37.9331   62.615   36.299     120.122  -65.6279   73.371   14.594  7.3517  11.645  5.8507  2.948493       9.395667 
1 1 1 -26 33  3  o 11.100  5.5597  -64.0332   63.734   -1.9317    112.663  -93.2609   77.291   13.967  7.0465  11.352  5.7387  2.615703       9.087700 
1 1 1 -26 33  4  o 14.835  7.4561  51.064     119.712  5.4392     127.595  386.449    345.944  14.237  7.2154  ?       ?       0.000000       7.215365 
1 1 1 -26 33  5  o 16.361  8.1380  145.822    126.661  145.822    126.661  0.0000     0.0000   16.361  8.1380  ?       ?       0.000000       8.138026 
1 1 1 -26 33  6  o 13.911  7.0522  -14.6486   122.516  -14.6486   122.516  0.0000     0.0000   13.911  7.0522  ?       ?       0.000000       7.052209 
1 1 1 -26 33  7  o 15.482  7.7854  100.266    131.521  50.967     143.307  363.550    331.180  14.803  7.5168  ?       ?       0.000000       7.516809 
1 1 1 -26 33  8  o 14.849  7.4408  56.877     114.736  18.228     128.284  211.409    256.515  14.328  7.2588  ?       ?       0.000000       7.258812 
1 1 1 -26 33  9  o 13.927  7.0344  1.7337     114.212  38.987     125.480  -178.1821  275.758  14.531  7.3429  ?       ?       0.000000       7.342906 
1 1 1 -26 33  10 o 14.162  6.9314  34.966     79.810   128.251    120.088  -38.8337   106.812  15.916  7.9181  13.166  6.6648  2.750191       10.34967 
1 1 1 -26 33  11 o 13.628  6.7391  16.702     82.126   123.535    120.184  -76.8847   112.486  15.711  7.8328  ?       ?       0.000000       7.832771 
1 1 1 -26 33  12 o 18.156  8.3630  157.840    85.196   252.367    127.195  80.925     114.736  17.861  8.7436  14.896  7.4609  2.964580       11.49413 
1 1 1 -26 33  13 o 10.328  5.2485  -117.8534  70.914   -106.0011  98.333   -130.6973  102.364  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 33  14 o 12.788  6.4101  -8.9920    85.515   424.620    203.084  -102.4453  94.281   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 33  15 o 13.215  6.6371  15.327     93.983   0.0000     0.0000   15.327     93.983   ?       ?       13.215  6.6371  0.000000       6.637109 
1 1 1 -26 33  16 o ?       ?       -126.4430  80.507   0.0000     0.0000   -126.4430  80.507   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 34  1  o 14.958  7.1069  58.653     70.061   65.536     116.052  54.705     87.882   14.838  7.4417  14.707  7.2136  0.1308842      10.36413 
1 1 1 -26 34  2  o 11.412  5.7063  -51.7333   65.869   -23.9998   122.632  -62.9791   78.090   13.604  6.9126  11.816  5.9490  1.788746       9.120003 
1 1 1 -26 34  3  o 12.371  6.0247  -3.2797    58.153   -33.2247   112.069  7.7545     68.029   13.305  6.7447  13.101  6.4095  0.2031565      9.304489 
1 1 1 -26 34  4  o ?       ?       37.555     154.979  37.555     154.979  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 34  5  o ?       ?       103.895    160.928  103.895    160.928  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 34  6  f 15.215  7.6655  107.767    130.771  107.767    130.771  0.0000     0.0000   15.215  7.6655  ?       ?       0.000000       7.665525 
1 1 1 -26 34  7  o 19.425  9.4862  393.900    147.073  470.103    161.627  27.018     354.642  19.655  9.6692  ?       ?       0.000000       9.669225 
1 1 1 -26 34  8  o 11.841  5.9457  -47.4889   75.185   -103.0581  106.315  8.1061     106.340  ?       ?       13.612  6.8646  0.000000       6.864613 
1 1 1 -26 34  9  o 11.648  5.8479  -48.5458   72.550   -89.0997   106.366  -13.2649   99.210   ?       ?       13.096  6.6076  0.000000       6.607585 
1 1 1 -26 34  10 o 11.793  5.9262  -44.5546   75.498   -12.7422   115.751  -68.1090   99.601   13.252  6.7321  12.229  6.2155  1.023055       9.162634 
1 1 1 -26 34  11 o 15.654  7.5106  104.931    82.356   21.511     123.629  171.482    110.424  13.605  6.9159  16.244  7.9911  -2.638072      10.56817 
1 1 1 -26 34  12 o 13.714  6.8992  44.967     103.837  53.186     236.578  43.006     115.563  ?       ?       13.693  6.9317  0.000000       6.931694 
1 1 1 -26 34  13 o ?       ?       -126.2999  92.550   -271.0522  221.855  -95.8016   101.834  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 34  14 o 12.121  6.1645  -36.5055   99.176   -14.5438   234.591  -41.2849   109.437  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 35  1  o 14.903  7.5112  98.523     126.246  71.423     133.652  322.922    384.589  14.498  7.3512  ?       ?       0.000000       7.351242 
1 1 1 -26 35  2  o 14.785  7.5148  105.978    145.727  33.392     159.758  465.596    355.596  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 35  3  o ?       ?       -156.9264  136.070  -191.8005  146.409  64.142     368.621  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 35  4  o ?       ?       69.487     158.378  69.487     158.378  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 35  5  o ?       ?       -206.8029  144.048  -206.8029  144.048  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 35  6  o 13.204  6.4452  24.446     67.656   113.983    114.908  -23.0636   83.703   14.985  7.4995  12.409  6.2363  2.576134       9.753659 
1 1 1 -26 35  7  o 16.804  7.7510  122.412    73.537   76.232     115.419  153.968    95.410   14.259  7.1860  16.453  7.9407  -2.193694      10.70949 
1 1 1 -26 35  8  o 11.119  5.6298  -74.0379   76.469   -285.9588  111.867  111.841    104.769  ?       ?       14.901  7.4104  0.000000       7.410378 
1 1 1 -26 35  9  o 14.679  7.1415  85.230     81.143   57.384     122.386  107.071    108.392  13.713  6.9618  14.574  7.2922  -0.8606110     10.08176 
1 1 1 -26 35  10 o 15.272  7.5878  154.988    108.816  58.145     225.129  184.511    124.300  ?       ?       15.260  7.6602  0.000000       7.660213 
1 1 1 -26 35  11 o 14.050  7.0597  97.988     107.006  -180.4841  239.459  167.471    119.613  ?       ?       14.889  7.4791  0.000000       7.479063 
1 1 1 -26 35  12 o ?       ?       -16.6861   100.510  17.310     232.666  -24.4860   111.446  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 36  1  o ?       ?       -185.7719  344.358  0.0000     0.0000   -185.7719  344.358  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 36  2  o ?       ?       6.2856     383.500  0.0000     0.0000   6.2856     383.500  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 36  3  o 15.452  7.7845  199.880    134.712  199.880    134.712  0.0000     0.0000   15.452  7.7845  ?       ?       0.000000       7.784501 
1 1 1 -26 36  4  f ?       ?       -133.3398  115.588  -133.3398  115.588  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 36  5  o ?       ?       -114.9709  54.791   -287.9492  111.428  -59.8115   62.923   ?       ?       10.561  5.3204  0.000000       5.320407 
1 1 1 -26 36  6  o 16.656  7.7543  139.721    76.235   274.046    127.960  65.809     94.919   16.489  8.1983  13.726  6.8615  2.762633       10.69075 
1 1 1 -26 36  7  o 14.675  7.0324  87.867     71.730   93.050     121.640  85.104     88.815   13.767  6.9840  14.086  6.9734  -0.3194752     9.869324 
1 1 1 -26 36  8  o 14.354  7.0528  98.874     85.184   -60.5774   229.649  124.313    91.728   ?       ?       14.769  7.2692  0.000000       7.269181 
1 1 1 -26 36  9  o ?       ?       -56.4367   94.699   -266.2447  220.317  -8.8886    104.882  ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 37  1  o 9.8622  5.0038  -89.6254   62.572   -132.3633  121.593  -74.2312   72.976   ?       ?       10.683  5.4185  0.000000       5.418499 
1 1 1 -26 37  2  f 14.893  7.5217  202.184    130.373  203.585    138.990  191.927    376.105  14.673  7.4458  ?       ?       0.000000       7.445842 
1 1 1 -26 37  3  o ?       ?       30.686     125.531  30.686     125.531  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 37  4  o ?       ?       62.394     144.789  62.394     144.789  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 37  5  o 11.589  5.8369  -14.0004   75.494   -284.9867  210.624  25.946     80.867   ?       ?       12.449  6.2395  0.000000       6.239465 
1 1 1 -26 37  6  o 10.984  5.5622  -41.7042   74.759   -389.3684  212.340  7.4879     79.873   ?       ?       11.968  6.0246  0.000000       6.024585 
1 1 1 -26 37  7  o 11.393  5.7724  -20.5149   81.289   -47.3976   223.174  -16.4027   87.285   ?       ?       11.565  5.8722  0.000000       5.872170 
1 1 1 -26 38  1  o 14.805  7.0690  112.237    71.078   31.434     133.423  144.255    83.988   ?       ?       15.005  7.2921  0.000000       7.292069 
1 1 1 -26 38  2  o ?       ?       -199.6466  122.107  -199.6466  122.107  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -26 38  3  o ?       ?       279.037    255.491  279.037    255.491  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -41 28 o 12.524  6.2538  42.100     77.901   190.444    130.435  -40.1547   97.126   13.914  7.0757  ?       ?       0.000000       7.075687 
1 1 1 -25 -41 29 o 11.794  5.9460  2.3297     79.455   6.6070     166.482  1.0680     90.417   ?       ?       11.913  6.0411  0.000000       6.041131 
1 1 1 -25 -41 30 o 11.321  5.7241  -24.0449   77.186   179.748    154.417  -91.9218   89.117   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -41 31 o 16.986  7.8436  170.433    75.622   143.769    140.892  181.223    89.626   ?       ?       15.862  7.6659  0.000000       7.665854 
1 1 1 -25 -41 32 o 10.242  5.1705  -52.4299   61.254   -119.7899  122.939  -30.1858   70.647   ?       ?       11.062  5.5804  0.000000       5.580441 
1 1 1 -25 -41 33 o 11.957  5.9412  14.627     66.736   42.910     130.744  4.6624     77.607   ?       ?       11.898  5.9826  0.000000       5.982639 
1 1 1 -25 -41 34 o 12.831  6.3079  46.331     68.414   94.790     129.964  27.756     80.465   ?       ?       12.378  6.2066  0.000000       6.206555 
1 1 1 -25 -41 35 o ?       ?       -107.1832  109.327  -299.0419  219.016  -43.5120   126.170  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -41 36 o 12.783  6.4994  56.566     109.657  339.364    234.024  -22.9921   124.126  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -41 37 o 12.777  6.2923  47.168     69.076   131.734    221.079  38.020     72.717   ?       ?       12.519  6.2171  0.000000       6.217087 
1 1 1 -25 -41 38 o 8.4786  4.3107  -94.4968   48.225   -4.7266    132.801  -108.1332  51.759   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -40 23 o 13.455  6.6708  71.769     82.385   0.0000     0.0000   71.769     82.385   ?       ?       13.455  6.6708  0.000000       6.670760 
1 1 1 -25 -40 24 o 13.180  6.5424  54.127     80.205   0.0000     0.0000   54.127     80.205   ?       ?       13.180  6.5424  0.000000       6.542358 
1 1 1 -25 -40 25 o 11.554  5.7963  -16.9185   70.617   0.0000     0.0000   -16.9185   70.617   ?       ?       11.554  5.7963  0.000000       5.796323 
1 1 1 -25 -40 26 o 14.169  6.7643  71.107     65.032   176.798    132.620  37.648     74.619   14.496  7.3474  12.961  6.4120  1.534736       9.751852 
1 1 1 -25 -40 27 o 11.316  5.6377  -18.1938   61.799   -101.7216  125.753  8.4014     70.959   ?       ?       12.247  6.0917  0.000000       6.091685 
1 1 1 -25 -40 28 o 13.961  6.7178  63.812     67.032   86.624     127.338  55.068     78.840   ?       ?       13.515  6.6686  0.000000       6.668553 
1 1 1 -25 -40 29 o 13.974  6.8890  73.384     83.508   -111.1854  168.210  133.752    96.200   ?       ?       15.104  7.4358  0.000000       7.435840 
1 1 1 -25 -40 30 f 12.235  6.1344  -3.4289    78.536   91.868     153.816  -37.0328   91.339   ?       ?       11.945  6.0588  0.000000       6.058812 
1 1 1 -25 -40 31 o 11.988  5.9550  -2.7380    66.885   112.964    153.608  -29.8066   74.298   ?       ?       11.612  5.8406  0.000000       5.840600 
1 1 1 -25 -40 32 o 10.241  5.1741  -70.8865   62.025   72.174     117.722  -125.8616  72.976   13.684  6.9344  ?       ?       0.000000       6.934418 
1 1 1 -25 -40 33 o 14.970  7.0956  87.989     69.024   -17.7980   134.846  125.548    80.348   ?       ?       15.782  7.5300  0.000000       7.529988 
1 1 1 -25 -40 34 o 11.530  5.7398  -16.6281   63.554   -187.4707  120.113  49.800     74.898   ?       ?       13.512  6.6339  0.000000       6.633892 
1 1 1 -25 -40 35 o 13.589  6.7936  58.436     93.128   193.372    130.135  -83.2057   133.329  15.089  7.6074  ?       ?       0.000000       7.607359 
1 1 1 -25 -40 36 f 12.337  6.2087  -3.8064    84.538   25.451     212.124  -9.3307    92.174   ?       ?       12.372  6.2558  0.000000       6.255794 
1 1 1 -25 -40 37 o 13.181  6.6056  40.311     90.553   431.223    237.561  -26.1421   97.948   ?       ?       12.195  6.1947  0.000000       6.194731 
1 1 1 -25 -40 38 o 15.029  6.9637  82.498     60.357   134.764    135.736  69.616     67.386   ?       ?       14.153  6.7911  0.000000       6.791097 
1 1 1 -25 -40 39 o 9.5748  4.8221  -64.4252   51.488   -71.0090   132.544  -63.2551   55.876   ?       ?       9.9192  4.9990  0.000000       4.999025 
1 1 1 -25 -40 40 o 13.407  6.4091  49.505     58.778   51.628     141.519  49.063     64.614   ?       ?       13.318  6.4542  0.000000       6.454242 
1 1 1 -25 -40 41 o 14.933  6.8985  83.525     58.586   -189.3738  144.228  137.453    64.114   ?       ?       17.470  7.7142  0.000000       7.714189 
1 1 1 -25 -40 42 o 9.8446  4.9620  -59.0494   55.140   -140.3338  127.337  -40.2902   61.173   ?       ?       10.598  5.3269  0.000000       5.326871 
1 1 1 -25 -39 19 o 13.586  6.9062  97.787     123.290  0.0000     0.0000   97.787     123.290  ?       ?       13.586  6.9062  0.000000       6.906224 
1 1 1 -25 -39 20 o 13.715  6.9624  92.689     122.213  0.0000     0.0000   92.689     122.213  ?       ?       13.715  6.9624  0.000000       6.962406 
1 1 1 -25 -39 21 o 11.951  5.9893  -12.6438   74.492   0.0000     0.0000   -12.6438   74.492   ?       ?       11.951  5.9893  0.000000       5.989285 
1 1 1 -25 -39 22 o 12.565  6.2772  7.5478     78.870   0.0000     0.0000   7.5478     78.870   ?       ?       12.565  6.2772  0.000000       6.277194 
1 1 1 -25 -39 23 o 15.704  7.5570  123.631    84.837   0.0000     0.0000   123.631    84.837   ?       ?       15.704  7.5570  0.000000       7.556984 
1 1 1 -25 -39 24 o 11.348  5.6476  -26.1748   61.297   -82.7042   127.793  -9.2826    69.858   ?       ?       12.110  6.0270  0.000000       6.026961 
1 1 1 -25 -39 25 o 10.911  5.4729  -49.1060   62.818   -129.4576  125.012  -21.9637   72.657   ?       ?       11.957  5.9809  0.000000       5.980859 
1 1 1 -25 -39 26 o 11.379  5.6744  -31.5885   63.209   -259.2904  127.934  41.946     72.703   ?       ?       13.669  6.6741  0.000000       6.674116 
1 1 1 -25 -39 27 o 17.873  7.9494  134.172    69.284   153.963    136.001  127.236    80.516   15.075  7.6204  16.483  7.7676  -1.407714      10.88148 
1 1 1 -25 -39 28 o 20.238  8.5846  179.798    73.207   204.008    140.519  170.779    85.766   15.692  7.9107  17.902  8.2970  -2.210040      11.46381 
1 1 1 -25 -39 29 o 15.126  7.2961  87.051     80.268   54.598     136.251  104.301    99.335   ?       ?       15.093  7.4539  0.000000       7.453928 
1 1 1 -25 -39 30 o 12.877  6.4077  4.9369     78.849   -96.2562   153.050  41.500     91.998   ?       ?       13.816  6.8827  0.000000       6.882685 
1 1 1 -25 -39 31 o 14.104  6.9431  52.835     83.827   132.946    159.154  22.078     98.614   ?       ?       13.493  6.7798  0.000000       6.779758 
1 1 1 -25 -39 32 o 12.355  6.0872  -1.7038    64.866   -144.2264  127.396  48.177     75.367   ?       ?       14.011  6.8312  0.000000       6.831176 
1 1 1 -25 -39 33 o 13.579  6.5326  35.869     63.286   -4.4894    125.910  49.511     73.205   ?       ?       14.062  6.8278  0.000000       6.827825 
1 1 1 -25 -39 34 o 10.818  5.3912  -42.0840   56.678   -135.7250  123.122  -16.9038   63.846   ?       ?       11.883  5.8881  0.000000       5.888082 
1 1 1 -25 -39 35 o 21.066  8.3389  160.911    63.255   196.663    139.815  151.710    70.930   15.693  7.9088  18.885  8.2328  -3.191861      11.41612 
1 1 1 -25 -39 36 o 12.943  6.4837  1.7969     86.868   -41.4323   214.442  10.283     95.012   ?       ?       13.219  6.6435  0.000000       6.643513 
1 1 1 -25 -39 37 o 14.234  7.0634  63.576     93.197   178.620    223.754  39.428     102.513  ?       ?       13.746  6.9072  0.000000       6.907195 
1 1 1 -25 -39 38 o ?       ?       -113.2032  82.681   -107.2458  225.237  -114.1310  88.886   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -39 39 o 13.646  6.5036  41.336     59.576   5.8460     139.043  49.316     65.935   ?       ?       13.936  6.6953  0.000000       6.695302 
1 1 1 -25 -39 40 o 13.021  6.2444  28.163     56.787   12.517     130.557  31.814     63.065   ?       ?       13.229  6.4024  0.000000       6.402373 
1 1 1 -25 -39 41 o 10.728  5.3324  -33.5911   53.980   -143.2406  128.482  -10.0874   59.485   ?       ?       11.702  5.7773  0.000000       5.777251 
1 1 1 -25 -39 42 o 13.351  6.3696  39.226     57.461   5.7776     134.665  46.672     63.535   ?       ?       13.628  6.5534  0.000000       6.553408 
1 1 1 -25 -39 43 o 14.463  6.8204  68.751     62.264   -11.6376   143.473  87.404     69.111   ?       ?       14.986  7.1022  0.000000       7.102221 
1 1 1 -25 -39 44 o 16.575  7.4942  116.396    64.437   124.737    144.882  114.339    71.944   ?       ?       15.788  7.4094  0.000000       7.409365 
1 1 1 -25 -38 17 o 14.570  6.5478  59.255     48.322   0.0000     0.0000   59.255     48.322   ?       ?       14.570  6.5478  0.000000       6.547825 
1 1 1 -25 -38 18 o 13.532  6.4377  41.405     57.847   0.0000     0.0000   41.405     57.847   ?       ?       13.532  6.4377  0.000000       6.437717 
1 1 1 -25 -38 19 o 15.515  7.7294  155.919    116.124  0.0000     0.0000   155.919    116.124  ?       ?       15.515  7.7294  0.000000       7.729421 
1 1 1 -25 -38 20 o 15.372  7.7299  159.024    129.623  0.0000     0.0000   159.024    129.623  ?       ?       15.372  7.7299  0.000000       7.729939 
1 1 1 -25 -38 21 o ?       ?       -43.6739   119.047  0.0000     0.0000   -43.6739   119.047  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -38 22 o 14.522  7.0958  62.118     82.615   0.0000     0.0000   62.118     82.615   ?       ?       14.522  7.0958  0.000000       7.095793 
1 1 1 -25 -38 23 o 13.717  6.5851  34.674     63.515   12.804     131.463  41.334     72.543   ?       ?       14.000  6.7976  0.000000       6.797597 
1 1 1 -25 -38 24 o 20.268  8.5027  163.138    70.547   243.889    140.645  135.991    81.547   16.843  8.4096  17.357  8.0606  -0.5142136     11.64878 
1 1 1 -25 -38 25 f 12.008  5.9184  -15.8091   61.498   -73.4496   119.836  4.7985     71.653   ?       ?       12.975  6.3935  0.000000       6.393518 
1 1 1 -25 -38 26 o 12.941  6.2996  10.376     63.390   31.191     122.465  2.7575     74.087   14.131  7.1517  13.011  6.4280  1.120115       9.615954 
1 1 1 -25 -38 27 o 14.409  6.8558  47.981     65.635   94.138     122.087  29.217     77.841   15.077  7.5716  13.828  6.7837  1.249771       10.16599 
1 1 1 -25 -38 28 o 12.550  6.1622  -4.3535    64.676   39.613     124.559  -20.5826   75.677   14.308  7.2382  12.524  6.2397  1.783859       9.556415 
1 1 1 -25 -38 29 o 16.536  7.5855  95.408     69.106   66.615     131.232  106.456    81.290   14.681  7.4270  16.384  7.7464  -1.702856      10.73160 
1 1 1 -25 -38 30 o 18.013  8.3989  161.217    89.978   7.7283     167.083  223.911    106.784  ?       ?       18.825  8.8936  0.000000       8.893633 
1 1 1 -25 -38 31 f 13.606  6.7233  17.031     81.208   77.506     154.135  -6.2064    95.544   ?       ?       13.367  6.7107  0.000000       6.710730 
1 1 1 -25 -38 32 o 13.282  6.6270  -1.7559    86.719   254.037    180.245  -78.7982   98.920   ?       ?       12.326  6.2577  0.000000       6.257657 
1 1 1 -25 -38 33 o 16.871  7.5358  93.506     62.978   214.079    155.715  69.926     68.861   16.249  8.2080  15.366  7.2236  0.8826132      10.93398 
1 1 1 -25 -38 34 o 12.469  6.0078  5.0794     54.046   148.085    126.315  -26.9666   59.795   15.982  7.9782  11.663  5.7646  4.318933       9.842887 
1 1 1 -25 -38 35 o 14.357  6.7113  45.163     58.028   -29.6722   130.118  63.742     64.832   ?       ?       15.165  7.0904  0.000000       7.090450 
1 1 1 -25 -38 36 o 12.293  5.9441  1.0824     54.063   -48.3868   126.638  12.108     59.785   ?       ?       12.942  6.2562  0.000000       6.256176 
1 1 1 -25 -38 37 o 13.127  6.5670  -8.0485    87.689   -32.7278   214.289  -3.0847    96.104   ?       ?       13.388  6.7223  0.000000       6.722290 
1 1 1 -25 -38 38 o ?       ?       -167.9198  79.863   -63.4944   219.669  -183.8245  85.729   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -38 39 o 14.303  6.6723  45.877     56.900   -84.6030   128.444  77.734     63.467   ?       ?       15.791  7.2531  0.000000       7.253099 
1 1 1 -25 -38 40 o 16.711  7.4793  93.797     62.365   72.922     140.703  98.900     69.573   14.552  7.3953  16.490  7.5815  -1.937794      10.59101 
1 1 1 -25 -38 41 o 12.486  6.0627  5.6124     57.725   113.791    138.023  -17.3209   63.550   14.967  7.5767  11.993  5.9305  2.973632       9.621675 
1 1 1 -25 -38 42 o 12.394  6.0031  6.5863     55.698   -205.9146  133.258  51.568     61.310   ?       ?       14.360  6.7705  0.000000       6.770532 
1 1 1 -25 -38 43 o 15.810  7.2111  82.232     61.287   58.728     140.658  87.740     68.090   ?       ?       15.722  7.3227  0.000000       7.322655 
1 1 1 -25 -38 44 o 16.640  7.4879  102.006    63.438   158.636    144.876  88.571     70.563   15.020  7.6200  15.497  7.2936  -0.4770832     10.54804 
1 1 1 -25 -38 45 o 19.339  8.1721  151.304    65.941   72.604     149.073  170.448    73.525   ?       ?       19.272  8.3924  0.000000       8.392406 
1 1 1 -25 -38 46 o 11.576  5.7111  -10.4999   57.757   -24.2208   138.744  -7.6237    63.523   ?       ?       11.887  5.8870  0.000000       5.887033 
1 1 1 -25 -37 14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -37 15 o 12.963  5.8741  29.712     39.839   0.0000     0.0000   29.712     39.839   ?       ?       12.963  5.8741  0.000000       5.874083 
1 1 1 -25 -37 16 o 22.652  8.0932  156.001    56.260   0.0000     0.0000   156.001    56.260   ?       ?       22.652  8.0932  0.000000       8.093192 
1 1 1 -25 -37 17 o 11.594  5.5464  0.1765     44.197   0.0000     0.0000   0.1765     44.197   ?       ?       11.594  5.5464  0.000000       5.546440 
1 1 1 -25 -37 18 o 9.0929  4.5918  -89.7016   48.518   0.0000     0.0000   -89.7016   48.518   ?       ?       9.0929  4.5918  0.000000       4.591755 
1 1 1 -25 -37 19 o 22.023  8.7544  179.905    69.990   0.0000     0.0000   179.905    69.990   ?       ?       22.023  8.7544  0.000000       8.754397 
1 1 1 -25 -37 20 o 17.107  8.3076  166.508    108.510  0.0000     0.0000   166.508    108.510  ?       ?       17.107  8.3076  0.000000       8.307570 
1 1 1 -25 -37 21 o 13.915  6.9510  15.782     96.605   154.565    205.633  -23.5240   109.434  ?       ?       13.460  6.8065  0.000000       6.806540 
1 1 1 -25 -37 22 o 14.795  6.9400  51.015     62.987   32.164     133.161  56.449     71.491   14.486  7.3447  14.956  7.1269  -0.4698896     10.23417 
1 1 1 -25 -37 23 o 11.505  5.6903  -34.1370   58.634   -7.6748    119.615  -42.5066   67.270   13.920  7.0475  11.797  5.8780  2.123727       9.176981 
1 1 1 -25 -37 24 o 14.212  6.7714  36.073     64.487   -4.5975    126.030  50.498     75.057   14.067  7.1335  14.795  7.1168  -0.7282963     10.07648 
1 1 1 -25 -37 25 o 16.980  7.6684  94.094     67.233   -28.0936   132.852  136.163    77.953   ?       ?       18.428  8.2957  0.000000       8.295690 
1 1 1 -25 -37 26 o 17.827  7.9189  109.940    68.546   59.547     127.604  130.380    81.267   14.977  7.5489  17.888  8.2130  -2.910460      11.15523 
1 1 1 -25 -37 27 o 14.002  6.7116  29.331     65.421   14.901     120.848  35.313     77.808   14.331  7.2383  14.359  6.9874  -0.2741146E-01 10.06064 
1 1 1 -25 -37 28 o 13.205  6.3908  9.6005     62.837   31.016     124.036  2.2067     72.882   14.590  7.3645  13.287  6.5279  1.302418       9.841171 
1 1 1 -25 -37 29 o 13.089  6.3480  6.2938     62.785   -17.3263   120.121  15.172     73.646   13.903  7.0414  13.695  6.6933  0.2084570      9.715016 
1 1 1 -25 -37 30 o 14.879  7.1171  50.469     72.713   97.698     119.956  23.035     91.424   15.682  7.8198  14.205  7.0400  1.477061       10.52194 
1 1 1 -25 -37 31 o 12.694  6.3590  -38.6358   83.522   -33.8092   197.411  -39.6882   92.179   ?       ?       12.968  6.5206  0.000000       6.520551 
1 1 1 -25 -37 32 o 13.478  6.6248  5.8005     75.379   378.386    198.816  -56.7498   81.462   17.479  8.8734  12.258  6.1596  5.220193       10.80177 
1 1 1 -25 -37 33 o 10.553  5.2401  -50.3956   51.617   21.079     193.342  -55.8809   53.561   ?       ?       10.564  5.2606  0.000000       5.260557 
1 1 1 -25 -37 34 o 13.743  6.4505  27.494     54.561   -35.3863   127.749  41.523     60.341   13.810  7.0206  14.504  6.8001  -0.6944103     9.774012 
1 1 1 -25 -37 35 o 11.189  5.5080  -32.8501   52.737   -52.4795   121.263  -28.2716   58.566   13.497  6.8597  11.742  5.7846  1.755675       8.973151 
1 1 1 -25 -37 36 o 17.147  7.5595  89.182     61.327   -1.0046    132.852  113.604    69.133   14.263  7.2421  18.056  7.9898  -3.792774      10.78357 
1 1 1 -25 -37 37 o 15.737  7.6793  85.367     95.869   -47.9940   238.068  111.179    104.737  ?       ?       16.224  7.9403  0.000000       7.940334 
1 1 1 -25 -37 38 o 18.369  8.6225  171.250    97.506   -21.5960   246.594  206.990    106.157  ?       ?       18.953  8.9278  0.000000       8.927775 
1 1 1 -25 -37 39 o 11.582  5.8727  -104.9025  85.259   -57.4500   209.197  -114.3545  93.365   ?       ?       11.820  6.0086  0.000000       6.008612 
1 1 1 -25 -37 40 o 11.627  5.7005  -22.4088   54.675   14.285     126.579  -30.8253   60.622   14.301  7.2413  11.739  5.8025  2.561871       9.279264 
1 1 1 -25 -37 41 o 15.853  7.2010  69.885     60.319   221.132    136.070  32.895     67.292   17.311  8.5808  14.068  6.7599  3.243126       10.92365 
1 1 1 -25 -37 42 o 14.163  6.6808  38.150     59.828   -99.4688   144.160  66.784     65.758   ?       ?       15.455  7.1975  0.000000       7.197513 
1 1 1 -25 -37 43 o 12.272  5.9421  -1.4409    54.461   -24.0128   141.795  2.4652     58.985   ?       ?       12.624  6.1292  0.000000       6.129211 
1 1 1 -25 -37 44 o 10.812  5.3840  -48.1434   56.072   127.950    133.194  -86.0729   61.816   15.495  7.7973  10.351  5.2216  5.144143       9.384176 
1 1 1 -25 -37 45 o 13.977  6.6218  39.564     59.966   73.048     131.999  30.857     67.312   14.614  7.3991  13.691  6.6231  0.9231377      9.930408 
1 1 1 -25 -37 46 o 16.525  7.4665  95.041     63.826   105.907    145.921  92.470     70.976   14.742  7.4957  15.953  7.4455  -1.210455      10.56508 
1 1 1 -25 -37 47 o 14.496  6.8048  57.129     60.739   -161.1214  137.135  110.394    67.747   ?       ?       16.845  7.6438  0.000000       7.643789 
1 1 1 -25 -37 48 o 13.509  6.6386  37.462     75.524   -4.8075    178.607  46.666     83.342   ?       ?       13.757  6.8006  0.000000       6.800628 
1 1 1 -25 -36 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -36 13 o ?       ?       -191.5900  11.317   0.0000     0.0000   -191.5900  11.317   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -36 14 f 14.138  6.5384  41.469     52.843   0.0000     0.0000   41.469     52.843   ?       ?       14.138  6.5384  0.000000       6.538404 
1 1 1 -25 -36 15 o ?       ?       -37.7829   8.9908   0.0000     0.0000   -37.7829   8.9908   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -36 16 o 17.808  7.9827  116.011    71.345   0.0000     0.0000   116.011    71.345   ?       ?       17.808  7.9827  0.000000       7.982742 
1 1 1 -25 -36 17 o 13.261  6.2418  20.049     51.713   0.0000     0.0000   20.049     51.713   ?       ?       13.261  6.2418  0.000000       6.241823 
1 1 1 -25 -36 18 o 15.647  7.1286  62.586     59.671   0.0000     0.0000   62.586     59.671   ?       ?       15.647  7.1286  0.000000       7.128574 
1 1 1 -25 -36 19 o 14.916  7.0043  48.309     64.458   0.0000     0.0000   48.309     64.458   ?       ?       14.916  7.0043  0.000000       7.004339 
1 1 1 -25 -36 20 o 12.116  6.0529  -49.4255   73.339   67.106     202.664  -66.9852   78.671   ?       ?       12.022  6.0426  0.000000       6.042566 
1 1 1 -25 -36 21 o 10.860  5.5069  -121.9384  75.069   0.0000     0.0000   -121.9384  75.069   ?       ?       10.860  5.5069  0.000000       5.506874 
1 1 1 -25 -36 22 o 10.196  5.0847  -62.8740   50.797   -586.9124  191.273  -23.1099   52.689   ?       ?       11.614  5.6732  0.000000       5.673249 
1 1 1 -25 -36 23 o 12.511  6.0787  -8.4227    58.281   -114.5030  147.079  11.336     63.477   ?       ?       13.466  6.4938  0.000000       6.493763 
1 1 1 -25 -36 24 o 30.264  9.0817  255.342    72.010   234.998    142.046  262.379    83.541   17.999  8.8937  26.834  9.8241  -8.835302      13.25186 
1 1 1 -25 -36 25 o 21.030  8.6188  153.057    70.180   172.584    133.933  145.666    82.398   17.123  8.4920  19.000  8.5434  -1.877485      12.04588 
1 1 1 -25 -36 26 o 19.390  8.3234  130.620    70.304   4.6086     126.967  186.341    84.429   14.525  7.3439  21.038  9.0769  -6.513198      11.67579 
1 1 1 -25 -36 27 o 14.806  6.9397  43.408     62.757   38.482     118.711  45.319     73.932   14.959  7.5060  14.926  7.1492  0.3344536E-01  10.36585 
1 1 1 -25 -36 28 f 11.768  5.8282  -39.5682   62.269   -54.6499   116.851  -33.5869   73.588   13.577  6.8835  12.547  6.2348  1.030675       9.287352 
1 1 1 -25 -36 29 o 12.770  6.2235  -7.1215    62.366   96.569     115.143  -50.1715   74.192   16.033  7.9375  12.190  6.0896  3.842362       10.00438 
1 1 1 -25 -36 30 o 14.048  6.7851  22.250     69.979   237.435    147.700  -40.0366   79.464   17.818  8.8504  12.662  6.3219  5.155600       10.87642 
1 1 1 -25 -36 31 o 11.408  5.7070  -64.1177   66.214   336.786    201.061  -112.8864  70.126   17.464  8.8715  10.700  5.4150  6.763340       10.39356 
1 1 1 -25 -36 32 o 19.619  8.9247  179.477    93.087   0.0000     0.0000   179.477    93.087   ?       ?       19.619  8.9247  0.000000       8.924685 
1 1 1 -25 -36 33 o 13.923  6.7749  15.872     73.124   18.752     206.659  15.459     78.182   ?       ?       14.027  6.8644  0.000000       6.864395 
1 1 1 -25 -36 34 o 14.892  6.8531  44.826     57.023   -203.9825  141.724  92.886     62.288   ?       ?       17.657  7.7058  0.000000       7.705823 
1 1 1 -25 -36 35 o 11.193  5.5012  -34.4884   51.940   -92.9210   124.090  -22.0764   57.191   ?       ?       11.998  5.8710  0.000000       5.871033 
1 1 1 -25 -36 36 o 16.138  7.2460  66.405     59.038   341.859    135.033  1.3075     65.645   21.189  10.008  13.232  6.4341  7.957361       11.89772 
1 1 1 -25 -36 37 o 21.168  8.4947  145.865    66.533   -66.3042   143.685  203.773    75.065   ?       ?       24.278  9.2265  0.000000       9.226497 
1 1 1 -25 -36 38 o 12.654  6.3643  -60.2358   88.071   187.611    209.740  -113.2921  97.041   ?       ?       12.199  6.1935  0.000000       6.193540 
1 1 1 -25 -36 39 o 14.315  7.0618  18.479     88.275   -281.1399  238.687  65.953     95.011   ?       ?       15.568  7.6075  0.000000       7.607513 
1 1 1 -25 -36 40 o 13.054  6.2429  7.8549     55.892   58.326     130.690  -3.4427    61.832   15.315  7.7090  12.889  6.2621  2.426023       9.931864 
1 1 1 -25 -36 41 o 11.791  5.7869  -26.8703   56.831   54.405     140.199  -42.8510   62.168   15.230  7.7020  11.669  5.7871  3.560817       9.633840 
1 1 1 -25 -36 42 o 13.664  6.5183  19.622     60.158   -128.4507  164.947  42.340     64.608   ?       ?       14.723  6.9444  0.000000       6.944392 
1 1 1 -25 -36 43 o 15.252  7.0503  54.288     61.338   133.743    148.600  37.970     67.342   16.068  8.1046  14.506  6.9138  1.561872       10.65291 
1 1 1 -25 -36 44 o 13.084  6.2812  9.8524     57.795   -16.8873   142.071  15.155     63.267   ?       ?       13.479  6.4959  0.000000       6.495949 
1 1 1 -25 -36 45 o 18.112  7.8910  109.356    65.079   187.339    145.438  89.832     72.771   16.620  8.3348  16.497  7.6446  0.1229362      11.30968 
1 1 1 -25 -36 46 o 15.669  7.2106  68.596     63.125   333.241    138.805  -0.4116    70.879   19.479  9.4451  13.047  6.4152  6.432569       11.41774 
1 1 1 -25 -36 47 o 19.615  8.2514  139.674    66.738   236.985    144.183  113.141    75.288   16.984  8.4849  17.109  7.8737  -0.1253300     11.57541 
1 1 1 -25 -36 48 o 13.378  6.6248  12.881     80.383   32.919     177.177  7.6874     90.200   ?       ?       13.427  6.7084  0.000000       6.708373 
1 1 1 -25 -36 49 o 11.904  5.9498  -31.8416   71.274   -47.8019   173.290  -28.5919   78.194   ?       ?       12.233  6.1316  0.000000       6.131584 
1 1 1 -25 -35 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -35 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -35 12 o 29.541  9.1691  260.077    72.597   0.0000     0.0000   260.077    72.597   ?       ?       29.541  9.1691  0.000000       9.169149 
1 1 1 -25 -35 13 o ?       ?       -210.4175  23.081   0.0000     0.0000   -210.4175  23.081   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -35 14 f 15.679  7.0045  58.969     54.434   0.0000     0.0000   58.969     54.434   ?       ?       15.679  7.0045  0.000000       7.004550 
1 1 1 -25 -35 15 o 17.216  7.7398  91.604     67.596   0.0000     0.0000   91.604     67.596   ?       ?       17.216  7.7398  0.000000       7.739761 
1 1 1 -25 -35 16 o 15.415  7.3899  56.250     79.392   0.0000     0.0000   56.250     79.392   ?       ?       15.415  7.3899  0.000000       7.389949 
1 1 1 -25 -35 17 o 14.959  6.7510  44.178     52.008   0.0000     0.0000   44.178     52.008   ?       ?       14.959  6.7510  0.000000       6.750965 
1 1 1 -25 -35 18 o 11.387  5.5887  -33.3238   53.020   0.0000     0.0000   -33.3238   53.020   ?       ?       11.387  5.5887  0.000000       5.588702 
1 1 1 -25 -35 19 o 12.453  6.0122  -8.0778    54.813   -194.6386  135.563  28.383     59.930   ?       ?       14.243  6.7090  0.000000       6.708967 
1 1 1 -25 -35 20 o 17.032  7.9608  95.428     81.612   462.801    172.651  -10.2798   92.613   21.013  10.265  13.916  6.9281  7.096366       12.38438 
1 1 1 -25 -35 21 o 19.269  8.7216  152.700    87.534   124.061    216.651  158.287    95.692   ?       ?       18.866  8.7508  0.000000       8.750752 
1 1 1 -25 -35 22 f 15.597  7.4767  58.144     81.244   -120.4563  200.842  93.087     88.837   ?       ?       16.704  7.9555  0.000000       7.955538 
1 1 1 -25 -35 23 o 13.558  6.4481  14.832     57.943   -121.7568  146.050  40.348     63.124   ?       ?       14.839  6.9567  0.000000       6.956686 
1 1 1 -25 -35 24 f 14.547  6.7387  36.134     56.476   32.534     120.559  37.146     63.924   15.080  7.5664  14.693  6.9232  0.3875771      10.25576 
1 1 1 -25 -35 25 o 14.840  6.9075  41.048     60.451   -8.3811    145.435  51.371     66.464   14.738  7.4925  15.349  7.1773  -0.6109753     10.37547 
1 1 1 -25 -35 26 o 15.956  7.1905  61.015     58.749   138.735    123.296  38.186     66.822   17.024  8.3885  14.769  6.9949  2.255529       10.92221 
1 1 1 -25 -35 27 o 14.161  6.6787  27.117     59.735   124.119    122.324  -3.2588    68.452   16.743  8.2696  13.291  6.4867  3.451906       10.51014 
1 1 1 -25 -35 28 o 15.624  7.1875  56.288     62.647   0.6747     134.789  71.611     70.753   14.746  7.4671  16.250  7.5329  -1.504068      10.60665 
1 1 1 -25 -35 29 o 11.853  5.7599  -18.9578   52.382   -135.8885  141.203  -0.2976    56.407   ?       ?       12.842  6.1755  0.000000       6.175548 
1 1 1 -25 -35 30 o 13.266  6.2605  13.302     52.636   37.856     144.476  9.5444     56.520   15.268  7.7314  13.265  6.3256  2.002575       9.989391 
1 1 1 -25 -35 31 o 12.059  5.9779  -41.5610   66.091   181.097    143.865  -101.1214  74.407   17.320  8.6244  11.284  5.6968  6.035511       10.33609 
1 1 1 -25 -35 32 o 21.711  9.2284  191.523    84.896   144.644    201.780  201.606    93.582   ?       ?       21.042  9.3042  0.000000       9.304242 
1 1 1 -25 -35 33 f 14.722  7.0739  34.269     73.677   88.256     179.324  23.305     80.813   ?       ?       14.478  7.0618  0.000000       7.061800 
1 1 1 -25 -35 34 o 18.324  7.8117  97.638     61.156   109.083    144.050  95.122     67.546   16.231  8.1603  17.678  7.8564  -1.446573      11.32750 
1 1 1 -25 -35 35 o 18.005  7.6724  90.736     58.949   267.727    133.048  47.506     65.755   19.692  9.4729  15.210  7.1207  4.481812       11.85075 
1 1 1 -25 -35 36 o 11.769  5.7046  -18.0881   50.513   -98.1985   123.969  -2.1401    55.312   ?       ?       12.737  6.1226  0.000000       6.122557 
1 1 1 -25 -35 37 o 19.537  8.0986  115.180    62.902   203.294    140.249  92.992     70.378   17.927  8.8546  17.442  7.8643  0.4851856      11.84273 
1 1 1 -25 -35 38 o ?       ?       -158.7385  81.526   0.0000     0.0000   -158.7385  81.526   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -35 39 o 16.203  7.9706  83.727     109.813  0.0000     0.0000   83.727     109.813  ?       ?       16.203  7.9706  0.000000       7.970560 
1 1 1 -25 -35 40 o 16.438  8.0064  89.508     102.809  276.711    269.888  57.732     111.193  ?       ?       15.640  7.7533  0.000000       7.753274 
1 1 1 -25 -35 41 o 12.915  6.2236  -2.2928    58.046   10.028     136.268  -5.0240    64.158   14.993  7.5830  13.119  6.3751  1.873567       9.906805 
1 1 1 -25 -35 42 o 12.824  6.1696  -2.1847    56.460   -155.0140  137.783  28.656     61.895   ?       ?       14.353  6.7781  0.000000       6.778141 
1 1 1 -25 -35 43 o 10.253  5.1337  -76.2230   54.111   -96.1486   134.845  -72.3985   59.077   ?       ?       10.787  5.3956  0.000000       5.395551 
1 1 1 -25 -35 44 o 16.664  7.4670  74.428     62.356   162.097    147.471  55.341     68.810   16.928  8.4754  15.530  7.2750  1.397616       11.16953 
1 1 1 -25 -35 45 o 12.522  6.0305  -4.3527    54.305   -46.1737   144.090  2.5710     58.628   ?       ?       13.027  6.2719  0.000000       6.271851 
1 1 1 -25 -35 46 o 18.523  7.8846  105.038    62.136   35.508     139.364  122.288    69.418   15.029  7.6085  18.970  8.2076  -3.941618      11.19165 
1 1 1 -25 -35 47 o 15.937  7.2946  67.886     63.426   65.608     168.239  68.264     68.478   ?       ?       15.828  7.3625  0.000000       7.362471 
1 1 1 -25 -35 48 o 12.463  6.2242  -37.2323   77.236   11.498     172.867  -49.3863   86.333   ?       ?       12.582  6.3244  0.000000       6.324406 
1 1 1 -25 -35 49 o 15.573  7.5159  81.109     85.457   -86.2791   181.918  128.505    96.802   ?       ?       16.694  8.0426  0.000000       8.042605 
1 1 1 -25 -35 50 o 14.236  6.9518  43.316     78.965   -78.3179   181.458  71.731     87.705   ?       ?       15.000  7.3254  0.000000       7.325416 
1 1 1 -25 -34 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -34 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -34 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -34 11 o 11.214  4.8266  12.971     23.757   0.0000     0.0000   12.971     23.757   ?       ?       11.214  4.8266  0.000000       4.826575 
1 1 1 -25 -34 12 o 14.110  6.6457  26.637     58.778   0.0000     0.0000   26.637     58.778   ?       ?       14.110  6.6457  0.000000       6.645658 
1 1 1 -25 -34 13 o 12.535  5.9080  4.3698     46.601   0.0000     0.0000   4.3698     46.601   ?       ?       12.535  5.9080  0.000000       5.907969 
1 1 1 -25 -34 14 o ?       ?       -313.4632  31.814   0.0000     0.0000   -313.4632  31.814   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -34 15 o 15.165  7.1286  42.656     67.051   0.0000     0.0000   42.656     67.051   ?       ?       15.165  7.1286  0.000000       7.128551 
1 1 1 -25 -34 16 o 13.023  6.4132  -22.7712   71.729   0.0000     0.0000   -22.7712   71.729   ?       ?       13.023  6.4132  0.000000       6.413167 
1 1 1 -25 -34 17 o 16.971  7.7184  79.340     69.572   0.0000     0.0000   79.340     69.572   ?       ?       16.971  7.7184  0.000000       7.718421 
1 1 1 -25 -34 18 o 14.508  6.6769  32.626     54.148   151.062    135.092  9.9566     59.103   17.384  8.6050  13.560  6.4667  3.824024       10.76408 
1 1 1 -25 -34 19 o 11.929  5.7663  -16.7709   50.779   -55.3141   127.130  -9.4543    55.390   14.159  7.1787  12.548  6.0548  1.611343       9.391150 
1 1 1 -25 -34 20 o 15.756  7.0528  53.636     55.481   15.004     119.911  64.159     62.583   15.022  7.5384  16.273  7.3692  -1.250422      10.54194 
1 1 1 -25 -34 21 o 11.472  5.7672  -87.7112   71.901   -207.5059  191.841  -68.1330   77.555   ?       ?       12.219  6.1218  0.000000       6.121784 
1 1 1 -25 -34 22 o 18.054  8.5108  131.730    96.810   0.0000     0.0000   131.730    96.810   ?       ?       18.054  8.5108  0.000000       8.510789 
1 1 1 -25 -34 23 o 13.016  6.2529  -0.5023    57.498   -63.8462   200.308  5.1858     60.024   ?       ?       13.372  6.4145  0.000000       6.414502 
1 1 1 -25 -34 24 o 21.862  8.3213  136.115    61.119   214.135    123.770  110.954    70.286   19.205  9.2123  18.701  8.1727  0.5041122      12.31500 
1 1 1 -25 -34 25 o 13.838  6.5233  18.782     56.871   -67.5715   115.786  46.239     65.289   13.715  6.9425  15.309  7.1435  -1.593588      9.961315 
1 1 1 -25 -34 26 o 11.323  5.5452  -33.6407   51.308   -11.2415   107.941  -40.1788   58.318   14.398  7.2148  11.674  5.7555  2.723375       9.229284 
1 1 1 -25 -34 27 o 15.844  7.2168  56.142     61.114   175.732    143.996  29.867     67.494   17.565  8.7273  14.623  6.9560  2.942400       11.16030 
1 1 1 -25 -34 28 o 14.218  6.5827  28.014     53.777   58.332     141.739  22.916     58.123   15.784  7.9558  14.084  6.6258  1.700276       10.35354 
1 1 1 -25 -34 29 o 16.768  7.3330  68.989     56.667   199.687    145.218  45.512     61.546   17.969  8.8993  15.273  7.0609  2.695521       11.36025 
1 1 1 -25 -34 30 o 20.015  8.0633  114.014    60.203   240.467    147.180  88.605     65.975   18.674  9.1942  17.621  7.8010  1.052505       12.05772 
1 1 1 -25 -34 31 o 17.072  7.4683  74.564     58.823   338.922    145.477  22.894     64.316   21.033  10.062  14.272  6.7896  6.760890       12.13875 
1 1 1 -25 -34 32 o 14.809  7.1012  31.484     73.413   202.129    177.103  -3.9212    80.671   17.294  8.7379  13.887  6.8315  3.406531       11.09146 
1 1 1 -25 -34 33 f 16.076  7.4705  62.308     70.227   -23.3256   179.850  77.713     76.283   ?       ?       16.675  7.7610  0.000000       7.760998 
1 1 1 -25 -34 34 o 10.918  5.5263  -123.4866  73.284   -240.7422  168.703  -96.2139   81.362   ?       ?       11.911  6.0064  0.000000       6.006439 
1 1 1 -25 -34 35 o 18.776  7.7610  95.538     57.529   -100.6845  129.246  144.020    64.244   ?       ?       22.091  8.5018  0.000000       8.501765 
1 1 1 -25 -34 36 o 18.272  7.6641  89.072     57.307   -46.2823   129.969  121.738    63.849   14.348  7.2728  20.221  8.2464  -5.872825      10.99531 
1 1 1 -25 -34 37 o 13.928  6.5871  18.340     58.864   285.196    126.916  -54.7947   66.442   21.268  9.9362  11.871  5.9033  9.396800       11.55755 
1 1 1 -25 -34 38 o 13.663  6.4920  12.543     58.467   164.702    133.945  -23.2717   64.984   17.723  8.7346  12.672  6.2129  5.051214       10.71885 
1 1 1 -25 -34 39 o 18.530  8.7790  153.568    105.420  169.645    269.227  150.657    114.568  ?       ?       18.038  8.7047  0.000000       8.704731 
1 1 1 -25 -34 40 o 13.254  6.6494  -55.3906   93.017   -305.1453  280.397  -24.5072   98.600   ?       ?       14.022  7.0072  0.000000       7.007192 
1 1 1 -25 -34 41 f 13.162  6.2998  1.3933     57.172   40.685     138.320  -6.7024    62.786   15.684  7.8995  13.144  6.3682  2.540105       10.14675 
1 1 1 -25 -34 42 o 17.555  7.7489  83.985     64.632   137.608    148.201  71.391     71.821   17.076  8.5417  16.612  7.6616  0.4636898      11.47429 
1 1 1 -25 -34 43 o 9.4435  4.7740  -112.8444  53.487   8.7058     136.536  -134.8791  58.133   15.238  7.6957  9.4868  4.8144  5.750777       9.077563 
1 1 1 -25 -34 44 o 12.646  6.1492  -15.8379   59.963   184.361    136.815  -63.4361   66.711   18.110  8.9067  11.704  5.8355  6.406069       10.64807 
1 1 1 -25 -34 45 o 21.930  8.6565  149.326    67.988   171.357    155.362  144.107    75.613   17.338  8.6833  20.421  8.6953  -3.083113      12.28854 
1 1 1 -25 -34 46 o 10.191  5.1032  -78.5941   53.585   -102.4046  136.811  -74.2794   58.238   ?       ?       10.725  5.3632  0.000000       5.363220 
1 1 1 -25 -34 47 o 20.192  8.5810  140.961    73.380   323.399    253.250  124.240    76.669   ?       ?       18.815  8.3654  0.000000       8.365440 
1 1 1 -25 -34 48 o 10.319  5.1796  -82.2906   56.763   31.110     135.772  -106.3104  62.487   15.112  7.6368  10.298  5.2016  4.813936       9.239987 
1 1 1 -25 -34 49 o 14.060  6.9032  15.057     81.121   118.854    165.409  -17.8153   93.084   15.881  8.0652  13.586  6.7920  2.294426       10.54414 
1 1 1 -25 -34 50 o 14.141  6.9476  23.596     82.584   125.687    167.785  -9.0443    94.872   ?       ?       13.633  6.8217  0.000000       6.821675 
1 1 1 -25 -34 51 o 16.976  7.6997  98.931     68.642   166.346    158.297  83.319     76.177   15.861  8.0380  15.891  7.5088  -0.3005028E-01 10.99963 
1 1 1 -25 -33 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -33 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -33 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -33 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -33 10 o 15.703  5.7690  44.928     28.844   0.0000     0.0000   44.928     28.844   ?       ?       15.703  5.7690  0.000000       5.768998 
1 1 1 -25 -33 11 o 8.4175  2.9992  8.8139     7.7209   0.0000     0.0000   8.8139     7.7209   ?       ?       8.4175  2.9992  0.000000       2.999151 
1 1 1 -25 -33 12 o 8.5061  4.2078  -48.5919   32.109   0.0000     0.0000   -48.5919   32.109   ?       ?       8.5061  4.2078  0.000000       4.207756 
1 1 1 -25 -33 13 o 3.6042  1.8267  -28.3959   8.1853   0.0000     0.0000   -28.3959   8.1853   ?       ?       3.6042  1.8267  0.000000       1.826676 
1 1 1 -25 -33 14 o 9.4713  4.6234  -35.8103   34.831   0.0000     0.0000   -35.8103   34.831   ?       ?       9.4713  4.6234  0.000000       4.623421 
1 1 1 -25 -33 15 o 13.949  6.6402  12.935     61.741   0.0000     0.0000   12.935     61.741   ?       ?       13.949  6.6402  0.000000       6.640241 
1 1 1 -25 -33 16 o 15.889  7.5755  53.679     81.012   29.461     166.276  61.217     92.768   15.790  8.0257  16.130  7.7960  -0.3396597     11.18880 
1 1 1 -25 -33 17 o 14.565  6.9524  23.380     68.637   297.082    175.584  -25.9873   74.570   18.925  9.4405  13.189  6.5035  5.735753       11.46381 
1 1 1 -25 -33 18 o 12.433  6.0286  -17.1340   56.557   -94.0419   130.017  0.8153     62.811   13.934  7.0840  13.475  6.4886  0.4597721      9.606493 
1 1 1 -25 -33 19 o 16.498  7.1918  61.355     54.120   -112.0778  118.381  107.179    60.851   13.385  6.8004  19.619  8.0314  -6.234126      10.52371 
1 1 1 -25 -33 20 o 14.049  6.5164  22.862     53.053   96.345     119.282  4.7413     59.234   16.789  8.2683  13.454  6.4321  3.335297       10.47552 
1 1 1 -25 -33 21 o 14.524  7.0411  16.286     77.031   24.225     191.227  14.748     84.161   ?       ?       14.652  7.1598  0.000000       7.159809 
1 1 1 -25 -33 22 o 17.082  8.0362  87.117     85.502   145.158    214.882  76.199     93.197   ?       ?       16.567  7.9595  0.000000       7.959534 
1 1 1 -25 -33 23 o 18.393  8.5062  122.127    89.441   132.499    211.153  119.860    98.737   ?       ?       17.907  8.4875  0.000000       8.487509 
1 1 1 -25 -33 24 o 18.078  7.7658  87.242     61.279   86.050     142.550  87.513     67.870   16.478  8.2622  17.729  7.8775  -1.251312      11.41570 
1 1 1 -25 -33 25 f 19.553  7.9679  103.988    59.554   143.883    123.353  91.863     68.004   17.856  8.7130  18.002  7.9472  -0.1456013     11.79299 
1 1 1 -25 -33 26 o 16.897  7.4721  69.042     60.369   97.552     140.162  62.549     66.891   16.700  8.3464  16.374  7.4933  0.3254642      11.21661 
1 1 1 -25 -33 27 o 16.686  7.3135  64.140     56.651   36.936     211.014  66.253     58.810   ?       ?       16.767  7.3968  0.000000       7.396815 
1 1 1 -25 -33 28 o 15.463  6.9546  45.352     54.644   -19.1726   141.601  56.642     59.232   15.095  7.6448  16.148  7.2537  -1.053465      10.53848 
1 1 1 -25 -33 29 o 12.457  5.9485  -6.7492    50.352   -24.4513   136.905  -3.9801    54.148   14.970  7.5745  12.840  6.1416  2.129959       9.751517 
1 1 1 -25 -33 30 o 17.676  7.5577  78.114     57.555   191.777    132.718  51.787     63.873   18.723  9.1142  15.850  7.2789  2.872227       11.66411 
1 1 1 -25 -33 31 o 12.622  6.0439  -6.9070    52.754   -46.4014   129.072  1.0135     57.802   14.557  7.3642  13.271  6.3473  1.285202       9.722157 
1 1 1 -25 -33 32 o 13.795  6.6629  2.5496     67.485   -117.5702  136.312  41.550     77.672   ?       ?       15.472  7.3880  0.000000       7.388010 
1 1 1 -25 -33 33 o 18.838  8.6649  132.579    91.015   36.922     174.904  168.100    106.582  ?       ?       19.319  9.0512  0.000000       9.051227 
1 1 1 -25 -33 34 o 16.399  7.8133  67.134     85.849   212.620    156.930  5.0002     102.555  18.308  9.0991  14.861  7.3805  3.447778       11.71599 
1 1 1 -25 -33 35 o 16.634  7.5048  66.233     64.209   12.744     130.289  83.391     73.793   15.383  7.7372  17.304  7.9003  -1.920775      11.05804 
1 1 1 -25 -33 36 o 17.151  7.4907  72.017     58.964   136.986    141.382  58.337     64.876   17.353  8.6261  16.177  7.3945  1.175220       11.36171 
1 1 1 -25 -33 37 o 16.897  7.4892  69.213     60.985   164.637    136.895  45.585     68.118   17.972  8.8524  15.543  7.2675  2.429259       11.45342 
1 1 1 -25 -33 38 o 9.9059  4.9533  -77.2488   49.631   -67.0390   125.959  -79.1253   53.999   14.213  7.1995  10.310  5.1571  3.902860       8.856033 
1 1 1 -25 -33 39 o 15.117  7.4534  20.196     97.860   147.456    258.976  -1.0025    105.697  ?       ?       14.802  7.3745  0.000000       7.374501 
1 1 1 -25 -33 40 o 16.053  7.8439  56.254     100.947  -87.8036   284.909  76.935     107.950  ?       ?       16.559  8.0953  0.000000       8.095261 
1 1 1 -25 -33 41 o 11.855  5.8523  -45.6760   60.975   2.6211     261.325  -48.4569   62.706   ?       ?       11.903  5.8869  0.000000       5.886913 
1 1 1 -25 -33 42 o 14.884  6.9291  32.681     60.857   -115.5682  142.039  66.014     67.352   ?       ?       16.630  7.5753  0.000000       7.575332 
1 1 1 -25 -33 43 o 13.371  6.4073  -0.1586    59.536   -24.6209   141.395  5.1131     65.639   15.125  7.6577  13.871  6.6680  1.253801       10.15397 
1 1 1 -25 -33 44 o 12.056  5.9255  -38.2640   60.249   -185.1463  162.921  -14.9952   64.846   ?       ?       13.114  6.3811  0.000000       6.381082 
1 1 1 -25 -33 45 o 15.778  7.2225  49.259     62.197   17.994     146.475  56.136     68.698   15.688  7.9281  16.126  7.4567  -0.4380512     10.88381 
1 1 1 -25 -33 46 o 16.572  7.4721  64.304     63.540   138.167    142.769  46.060     70.955   17.412  8.6577  15.618  7.3390  1.793678       11.34977 
1 1 1 -25 -33 47 o 10.407  5.2132  -83.0573   56.148   -35.1670   133.776  -93.2979   61.861   14.736  7.4596  10.685  5.3690  4.050710       9.190872 
1 1 1 -25 -33 48 o 11.538  5.6925  -44.2363   57.410   -35.7122   144.742  -45.8277   62.539   14.791  7.5150  11.878  5.8751  2.913181       9.538994 
1 1 1 -25 -33 49 o 12.025  6.0117  -64.4058   72.961   -8.9733    186.267  -74.4524   79.298   ?       ?       12.179  6.1141  0.000000       6.114057 
1 1 1 -25 -33 50 o 15.854  7.6620  67.643     89.547   283.470    187.472  3.8460     101.926  17.629  8.9141  14.387  7.1792  3.241983       11.44564 
1 1 1 -25 -33 51 o 15.028  7.0099  48.124     62.784   -37.7888   156.290  64.655     68.559   ?       ?       15.758  7.3421  0.000000       7.342068 
1 1 1 -25 -33 52 o 15.132  7.0555  55.399     63.490   201.092    152.838  25.014     69.798   16.658  8.3788  13.924  6.7380  2.734253       10.75196 
1 1 1 -25 -32 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -32 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -32 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -32 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -32 9  o 10.807  4.6815  8.8645     22.643   0.0000     0.0000   8.8645     22.643   ?       ?       10.807  4.6815  0.000000       4.681475 
1 1 1 -25 -32 10 o 13.208  5.7161  22.089     33.691   0.0000     0.0000   22.089     33.691   ?       ?       13.208  5.7161  0.000000       5.716063 
1 1 1 -25 -32 11 o 15.700  5.9530  44.036     31.204   0.0000     0.0000   44.036     31.204   ?       ?       15.700  5.9530  0.000000       5.952981 
1 1 1 -25 -32 12 o 40.043  11.570  531.921    118.732  0.0000     0.0000   531.921    118.732  ?       ?       40.043  11.570  0.000000       11.56980 
1 1 1 -25 -32 13 o 42.283  6.0340  307.098    60.150   0.0000     0.0000   307.098    60.150   ?       ?       42.283  6.0340  0.000000       6.034026 
1 1 1 -25 -32 14 o 13.877  6.5667  11.649     58.635   0.0000     0.0000   11.649     58.635   ?       ?       13.877  6.5667  0.000000       6.566678 
1 1 1 -25 -32 15 o 24.144  8.6116  156.846    63.673   134.227    130.522  163.910    72.942   17.742  8.7202  22.962  8.9967  -5.219780      12.52924 
1 1 1 -25 -32 16 o 11.547  5.7931  -88.9812   70.617   -217.3120  160.888  -58.3585   78.592   ?       ?       12.727  6.3433  0.000000       6.343333 
1 1 1 -25 -32 17 f 12.482  6.1286  -33.6753   63.948   -42.3069   157.409  -31.9690   69.984   ?       ?       12.906  6.3517  0.000000       6.351650 
1 1 1 -25 -32 18 o 18.979  8.0327  99.077     63.870   106.346    123.489  96.422     74.628   17.251  8.4796  18.145  8.1471  -0.8942852     11.75917 
1 1 1 -25 -32 19 o 19.005  8.0865  100.691    65.312   134.288    122.564  87.368     77.183   17.936  8.7374  17.596  8.0514  0.3401756      11.88134 
1 1 1 -25 -32 20 o 24.507  8.5306  156.663    62.195   102.466    124.281  174.771    71.837   17.204  8.4663  24.177  9.0619  -6.972422      12.40147 
1 1 1 -25 -32 21 o 10.413  5.2456  -106.9681  61.151   -15.0921   99.304   -163.0878  77.611   14.545  7.2301  10.776  5.4779  3.768340       9.070946 
1 1 1 -25 -32 22 o 18.182  8.3729  104.518    85.322   -85.6974   203.799  144.943    93.952   ?       ?       19.551  8.9218  0.000000       8.921805 
1 1 1 -25 -32 23 o 18.373  8.4883  111.312    88.722   111.017    208.688  111.378    98.022   ?       ?       18.045  8.5238  0.000000       8.523840 
1 1 1 -25 -32 24 o 12.155  5.8735  -20.6929   52.577   -148.3355  114.499  13.413     59.186   13.035  6.6286  14.048  6.6321  -1.013277      9.376715 
1 1 1 -25 -32 25 o 12.491  6.0371  -18.4787   55.618   -8.5694    135.111  -20.5005   61.029   15.440  7.7804  12.796  6.2180  2.643695       9.959832 
1 1 1 -25 -32 26 o 20.820  8.0406  110.686    57.620   216.787    144.765  90.713     62.809   19.345  9.4393  18.625  7.9277  0.7193966      12.32680 
1 1 1 -25 -32 27 o 12.235  5.8842  -16.6835   51.255   132.250    139.022  -40.1123   55.140   17.788  8.7913  11.679  5.7257  6.108784       10.49143 
1 1 1 -25 -32 28 o 12.328  5.9005  -12.5610   50.155   -267.1893  128.726  33.013     54.459   ?       ?       14.945  6.8093  0.000000       6.809258 
1 1 1 -25 -32 29 o 16.360  7.2037  54.843     55.521   262.801    137.129  14.068     60.721   20.965  9.9558  14.185  6.7032  6.779559       12.00211 
1 1 1 -25 -32 30 f 12.766  6.1295  -11.1295   55.073   202.213    129.109  -58.5815   60.890   19.728  9.4490  11.606  5.7508  8.122163       11.06137 
1 1 1 -25 -32 31 o 22.677  8.6901  145.456    66.939   214.492    137.989  124.211    76.549   19.612  9.4863  19.887  8.6115  -0.2755394     12.81199 
1 1 1 -25 -32 32 o 24.135  8.8180  161.766    67.256   224.277    130.189  139.009    78.550   20.262  9.6449  20.626  8.8245  -0.3637733     13.07274 
1 1 1 -25 -32 33 o 14.187  6.9263  -4.8511    78.228   -6.8932    137.677  -3.8775    95.064   15.504  7.8177  14.754  7.2879  0.7495623      10.68785 
1 1 1 -25 -32 34 o 23.768  10.097  240.789    101.513  127.002    173.640  299.871    125.122  17.268  8.7161  23.298  10.497  -6.030136      13.64400 
1 1 1 -25 -32 35 f 17.123  7.7583  72.022     69.474   136.020    159.365  57.005     77.196   17.499  8.7685  16.327  7.6666  1.171478       11.64742 
1 1 1 -25 -32 36 o 14.824  6.8627  29.886     58.438   270.920    138.432  -22.3808   64.463   20.939  9.9609  12.933  6.3081  8.005860       11.79029 
1 1 1 -25 -32 37 o 30.056  8.7553  219.588    67.744   119.100    151.918  244.530    75.686   17.291  8.6492  30.176  9.3615  -12.88465      12.74545 
1 1 1 -25 -32 38 o 14.367  6.7164  21.487     58.136   -44.0057   136.346  36.040     64.272   14.935  7.5569  15.250  7.1067  -0.3159742     10.37363 
1 1 1 -25 -32 39 o 18.302  8.6159  119.822    98.586   42.517     267.598  131.963    106.045  ?       ?       18.452  8.7603  0.000000       8.760306 
1 1 1 -25 -32 40 o 14.155  7.0575  -32.6687   97.629   122.082    279.659  -54.1456   104.183  ?       ?       13.974  7.0142  0.000000       7.014250 
1 1 1 -25 -32 41 o 14.293  7.0554  -13.0264   88.573   -468.0546  264.224  44.580     94.013   ?       ?       15.935  7.7373  0.000000       7.737251 
1 1 1 -25 -32 42 o 24.951  9.0076  177.001    69.878   310.585    150.051  140.007    78.963   21.176  10.154  20.564  8.8242  0.6112862      13.45230 
1 1 1 -25 -32 43 o 21.589  8.4946  131.120    65.274   184.651    141.639  116.686    73.550   18.714  9.1749  19.590  8.4620  -0.8760204     12.48138 
1 1 1 -25 -32 44 o 11.916  5.8385  -37.9416   57.088   -210.7624  140.875  -3.9850    62.445   ?       ?       13.507  6.4958  0.000000       6.495847 
1 1 1 -25 -32 45 o 14.836  7.2557  6.8127     86.963   123.288    149.480  -52.7770   106.919  17.510  8.7306  14.167  7.1104  3.342804       11.25972 
1 1 1 -25 -32 46 o 15.405  7.1273  38.374     62.880   126.022    150.806  19.929     69.181   17.509  8.7364  14.730  7.0167  2.778894       11.20532 
1 1 1 -25 -32 47 o 17.319  7.7070  73.601     65.203   -37.5257   151.509  98.861     72.234   15.284  7.7582  18.550  8.1899  -3.265831      11.28116 
1 1 1 -25 -32 48 o 17.062  7.6730  71.344     66.490   278.297    154.087  23.992     73.705   19.998  9.7536  14.906  7.1394  5.091232       12.08732 
1 1 1 -25 -32 49 o 16.658  7.9268  72.996     87.795   103.668    183.589  63.902     99.967   16.658  8.4634  16.302  7.9301  0.3553905      11.59808 
1 1 1 -25 -32 50 o 12.712  6.3369  -52.5064   78.521   -87.7205   172.869  -43.3525   88.138   ?       ?       13.351  6.6647  0.000000       6.664729 
1 1 1 -25 -32 51 f 11.781  5.8266  -44.0788   61.457   -185.0433  178.214  -25.0528   65.473   ?       ?       12.597  6.1884  0.000000       6.188383 
1 1 1 -25 -32 52 o 13.796  6.5990  17.643     62.515   97.130     150.370  1.0345     68.736   15.930  8.0492  13.411  6.5354  2.518971       10.36830 
1 1 1 -25 -31 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -31 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -31 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -31 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -31 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -31 8  o ?       ?       -169.8652  7.0628   0.0000     0.0000   -169.8652  7.0628   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -31 9  o 9.9271  4.1687  7.9712     16.986   0.0000     0.0000   7.9712     16.986   ?       ?       9.9271  4.1687  0.000000       4.168727 
1 1 1 -25 -31 10 o 11.976  5.3264  9.7562     31.102   0.0000     0.0000   9.7562     31.102   ?       ?       11.976  5.3264  0.000000       5.326354 
1 1 1 -25 -31 11 o ?       ?       -484.0526  11.212   0.0000     0.0000   -484.0526  11.212   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -31 12 o 34.419  6.7612  216.987    54.452   0.0000     0.0000   216.987    54.452   ?       ?       34.419  6.7612  0.000000       6.761223 
1 1 1 -25 -31 13 o 18.261  7.5428  78.445     54.288   0.0000     0.0000   78.445     54.288   ?       ?       18.261  7.5428  0.000000       7.542819 
1 1 1 -25 -31 14 o 16.044  7.0527  49.752     53.025   -225.8778  118.274  119.087    59.320   ?       ?       21.464  8.1912  0.000000       8.191207 
1 1 1 -25 -31 15 o 20.661  8.3439  117.896    64.632   103.385    126.252  123.049    75.239   17.439  8.5723  19.978  8.5942  -2.538958      12.13850 
1 1 1 -25 -31 16 o 13.192  6.4414  -22.5895   67.724   -193.2738  161.042  14.082     74.646   ?       ?       14.736  7.0904  0.000000       7.090446 
1 1 1 -25 -31 17 o 17.320  7.8199  73.140     69.867   15.003     137.942  93.201     81.030   15.931  8.0062  18.039  8.2522  -2.107932      11.49775 
1 1 1 -25 -31 18 o 21.145  8.4397  123.523    65.291   120.489    141.790  124.340    73.554   17.686  8.7653  20.310  8.6094  -2.624643      12.28627 
1 1 1 -25 -31 19 o 16.104  7.2702  49.334     60.367   -78.4382   115.160  97.749     70.887   14.125  7.1258  18.800  8.2120  -4.674436      10.87261 
1 1 1 -25 -31 20 o 18.667  7.8444  86.200     60.216   21.784     116.469  109.700    70.347   15.909  7.8950  19.678  8.3833  -3.769430      11.51565 
1 1 1 -25 -31 21 o 14.954  6.8529  29.778     56.217   98.976     112.123  6.5407     64.974   17.749  8.5769  14.191  6.7710  3.558593       10.92747 
1 1 1 -25 -31 22 o 19.650  9.0758  144.216    101.327  -327.1683  217.948  274.198    114.448  ?       ?       24.353  10.537  0.000000       10.53742 
1 1 1 -25 -31 23 o 17.167  8.1241  70.387     89.781   25.656     202.287  81.360     100.189  ?       ?       17.460  8.3523  0.000000       8.352280 
1 1 1 -25 -31 24 o 11.045  5.4012  -42.1797   48.158   -131.9081  197.256  -36.4925   49.661   ?       ?       11.416  5.5613  0.000000       5.561307 
1 1 1 -25 -31 25 o 9.9352  4.8944  -52.2919   41.904   -110.7881  126.748  -45.1138   44.400   14.218  7.2041  10.514  5.1512  3.703376       8.856233 
1 1 1 -25 -31 26 o 20.591  7.9250  101.375    55.826   -34.2813   138.636  127.629    60.989   15.537  7.8355  22.497  8.3659  -6.960582      11.46224 
1 1 1 -25 -31 27 o 29.819  8.3528  196.841    62.846   377.134    140.100  151.423    70.317   25.634  11.357  23.264  8.9086  2.369974       14.43421 
1 1 1 -25 -31 28 o 10.481  5.1766  -58.1544   47.935   74.991     125.335  -80.9666   51.879   17.281  8.5038  10.246  5.1143  7.035320       9.923245 
1 1 1 -25 -31 29 o 25.895  8.7775  169.013    65.719   127.441    138.057  181.193    74.729   18.272  8.9782  25.153  9.2788  -6.880833      12.91145 
1 1 1 -25 -31 30 o 15.102  6.9921  27.855     60.690   77.453     117.351  9.7468     70.909   17.349  8.4728  14.677  7.0224  2.672083       11.00469 
1 1 1 -25 -31 31 o 19.071  8.0206  91.131     63.034   57.766     122.165  103.236    73.586   16.888  8.3267  19.268  8.3931  -2.380478      11.82280 
1 1 1 -25 -31 32 o 15.333  7.0669  32.618     60.960   -18.2803   119.912  50.357     70.791   15.387  7.6949  16.390  7.5755  -1.002242      10.79813 
1 1 1 -25 -31 33 o 16.163  7.7005  42.561     83.369   -0.0004    150.753  61.312     100.062  16.116  8.1331  16.878  8.1426  -0.7616100     11.50864 
1 1 1 -25 -31 34 o 23.042  9.4593  178.284    84.712   250.051    166.009  153.017    98.502   19.782  9.7445  20.247  9.1989  -0.4652557     13.40062 
1 1 1 -25 -31 35 o 19.985  8.6401  120.234    76.815   -63.8330   162.241  173.417    87.208   15.484  7.8758  22.326  9.4143  -6.842160      12.27423 
1 1 1 -25 -31 36 o 15.423  6.9860  37.646     56.283   63.941     133.136  31.924     62.105   16.866  8.3820  15.243  7.0631  1.623054       10.96105 
1 1 1 -25 -31 37 o 17.529  7.6376  70.974     60.973   61.502     130.686  73.610     68.935   16.778  8.3327  17.484  7.8415  -0.7051353     11.44212 
1 1 1 -25 -31 38 o 33.905  8.8858  268.056    73.987   384.005    153.706  233.089    84.409   23.514  10.968  27.161  9.8855  -3.647388      14.76579 
1 1 1 -25 -31 39 o 20.606  8.2397  112.433    62.355   -11.5681   141.060  142.548    69.515   15.669  7.9024  22.254  8.7631  -6.585022      11.79994 
1 1 1 -25 -31 40 o 12.800  6.4166  -82.1770   85.758   -228.2275  276.077  -66.5795   90.221   ?       ?       13.338  6.6706  0.000000       6.670619 
1 1 1 -25 -31 41 o 16.568  8.0126  57.832     98.356   227.211    280.851  34.155     105.006  ?       ?       15.988  7.8508  0.000000       7.850757 
1 1 1 -25 -31 42 o 12.755  6.2001  -23.7057   60.819   107.935    141.144  -53.7210   67.397   17.508  8.6888  12.297  6.0855  5.210211       10.60792 
1 1 1 -25 -31 43 o 17.360  7.7197  70.833     65.311   58.783     136.358  74.421     74.400   16.688  8.3236  17.367  7.9305  -0.6791267     11.49678 
1 1 1 -25 -31 44 o 15.421  7.2034  34.305     66.656   15.483     141.894  39.634     75.505   16.072  8.0825  15.811  7.4726  0.2607269      11.00754 
1 1 1 -25 -31 45 o 12.079  5.9452  -46.6619   61.361   -208.7465  141.995  -9.4431    68.043   ?       ?       13.740  6.6499  0.000000       6.649875 
1 1 1 -25 -31 46 o 37.762  9.2082  336.000    83.612   625.398    165.435  236.717    96.898   31.033  13.020  24.949  10.165  6.084497       16.51776 
1 1 1 -25 -31 47 o 16.756  7.5417  59.511     64.391   -11.5670   150.303  75.488     71.262   15.850  8.0118  17.554  7.9142  -1.704177      11.26155 
1 1 1 -25 -31 48 o 18.249  7.9494  85.102     66.014   -119.9325  146.796  137.076    73.909   ?       ?       21.252  8.7916  0.000000       8.791592 
1 1 1 -25 -31 49 o 16.309  7.7205  53.647     81.222   -115.4403  145.682  129.913    97.840   ?       ?       18.942  8.8074  0.000000       8.807378 
1 1 1 -25 -31 50 o 15.410  7.3944  32.877     79.892   -39.7042   179.498  50.807     89.217   ?       ?       16.106  7.7502  0.000000       7.750249 
1 1 1 -25 -31 51 o 16.452  7.8956  67.580     91.177   99.032     200.822  59.413     102.332  ?       ?       16.185  7.9060  0.000000       7.906009 
1 1 1 -25 -31 52 o 12.532  6.1175  -21.0556   60.973   30.984     151.684  -31.0848   66.590   15.601  7.9024  12.561  6.1843  3.040383       10.03456 
1 1 1 -25 -31 53 o 18.534  8.0185  106.251    66.253   46.919     165.724  117.537    72.281   ?       ?       18.736  8.2352  0.000000       8.235237 
1 1 1 -25 -30 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -30 8  o 45.058  5.9909  340.397    63.875   0.0000     0.0000   340.397    63.875   ?       ?       45.058  5.9909  0.000000       5.990943 
1 1 1 -25 -30 9  o 9.4334  2.7394  11.973     6.6411   0.0000     0.0000   11.973     6.6411   ?       ?       9.4334  2.7394  0.000000       2.739377 
1 1 1 -25 -30 10 o ?       ?       -54.3884   8.7378   0.0000     0.0000   -54.3884   8.7378   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -30 11 o 25.237  8.6823  162.027    64.335   0.0000     0.0000   162.027    64.335   ?       ?       25.237  8.6823  0.000000       8.682289 
1 1 1 -25 -30 12 o 18.569  7.2798  74.825     47.779   0.0000     0.0000   74.825     47.779   ?       ?       18.569  7.2798  0.000000       7.279806 
1 1 1 -25 -30 13 o 27.084  7.9077  158.312    55.206   139.824    123.564  162.923    61.708   18.665  9.0155  25.960  8.4985  -7.295258      12.38966 
1 1 1 -25 -30 14 o 12.713  6.0497  -8.6051    51.145   -6.8764    106.154  -9.1277    58.366   15.232  7.5555  13.216  6.3359  2.016583       9.860460 
1 1 1 -25 -30 15 o 14.450  6.6934  19.976     55.703   -51.6750   114.768  42.056     63.710   14.664  7.3608  15.866  7.2801  -1.202559      10.35286 
1 1 1 -25 -30 16 o 18.636  8.0344  87.689     66.047   24.640     111.640  121.639    81.922   16.074  7.9318  19.832  8.7406  -3.758451      11.80309 
1 1 1 -25 -30 17 o 11.035  5.5071  -82.7245   60.029   -58.7333   119.269  -90.8639   69.469   14.759  7.4207  11.657  5.8335  3.101983       9.439080 
1 1 1 -25 -30 18 o 22.353  8.7422  137.049    68.777   234.826    146.105  109.214    77.955   20.595  9.9123  19.502  8.5628  1.093256       13.09864 
1 1 1 -25 -30 19 o 19.852  8.2179  100.534    64.641   47.116     116.149  124.503    77.804   16.792  8.2479  20.533  8.7834  -3.740353      12.04892 
1 1 1 -25 -30 20 o 13.017  6.2191  -11.8343   55.193   20.753     107.323  -23.5517   64.355   16.134  7.9255  13.223  6.4161  2.911356       10.19709 
1 1 1 -25 -30 21 o 17.875  7.6335  69.171     58.585   156.830    112.303  36.396     68.670   20.175  9.3992  15.923  7.3952  4.252626       11.95966 
1 1 1 -25 -30 22 o 13.475  6.7483  -85.3967   93.774   61.026     204.474  -124.3953  105.526  17.496  8.8937  13.406  6.7701  4.090250       11.17731 
1 1 1 -25 -30 23 o 14.040  7.0419  -82.6280   103.925  -160.4459  189.769  -49.2918   124.206  ?       ?       15.312  7.6824  0.000000       7.682390 
1 1 1 -25 -30 24 o 19.276  9.1786  129.820    118.131  92.075     222.572  144.622    139.384  ?       ?       19.182  9.3385  0.000000       9.338546 
1 1 1 -25 -30 25 o 13.542  6.3768  -0.9583    54.061   10.143     127.059  -3.4123    59.738   16.459  8.1813  13.818  6.5647  2.641014       10.48951 
1 1 1 -25 -30 26 o 18.272  7.7125  72.117     58.626   44.665     136.446  78.332     64.924   17.222  8.5464  18.523  7.9758  -1.300800      11.68990 
1 1 1 -25 -30 27 o 13.456  6.3440  -2.6909    53.810   22.360     160.793  -5.8503    57.102   17.073  8.5882  13.548  6.4311  3.524352       10.72923 
1 1 1 -25 -30 28 o 16.486  7.3954  46.343     61.352   68.163     122.503  39.038     70.881   17.666  8.6337  16.260  7.5385  1.405146       11.46164 
1 1 1 -25 -30 29 o 24.301  9.1243  159.718    72.891   200.827    223.583  154.829    77.104   18.940  9.5938  23.263  9.2072  -4.322956      13.29710 
1 1 1 -25 -30 30 o 15.658  7.1327  33.198     59.717   138.444    118.258  -2.8257    69.186   19.604  9.2907  14.402  6.9029  5.201363       11.57440 
1 1 1 -25 -30 31 f 14.750  6.8619  16.805     59.514   -9.0715    116.968  25.844     69.132   15.888  7.8894  15.565  7.2917  0.3229465      10.74294 
1 1 1 -25 -30 32 o 17.245  7.4755  58.995     57.809   56.107     121.622  59.838     65.706   17.288  8.4809  17.250  7.7018  0.3762627E-01  11.45617 
1 1 1 -25 -30 33 o 17.530  7.9051  65.973     71.142   131.559    128.374  36.903     85.466   19.004  9.1817  16.343  7.7892  2.660608       12.04059 
1 1 1 -25 -30 34 o 15.148  7.1309  19.722     67.524   14.937     139.923  21.174     77.095   16.571  8.2908  15.530  7.4006  1.041372       11.11334 
1 1 1 -25 -30 35 o 17.696  8.0783  72.200     77.118   -55.5399   157.420  112.536    88.460   15.840  8.0260  19.365  8.7660  -3.525203      11.88529 
1 1 1 -25 -30 36 o 18.645  7.8116  80.419     59.421   -89.1898   135.623  120.712    66.103   14.918  7.5475  21.426  8.5108  -6.507419      11.37530 
1 1 1 -25 -30 37 f 17.796  7.6505  69.911     59.553   207.059    129.106  32.844     67.120   20.804  9.8136  15.629  7.2763  5.174088       12.21683 
1 1 1 -25 -30 38 o 16.454  7.4062  50.576     62.119   176.278    128.695  12.395     70.928   19.820  9.4772  14.840  7.0791  4.980483       11.82923 
1 1 1 -25 -30 39 o 10.985  5.4786  -81.0861   59.012   -198.1545  131.347  -51.4792   66.053   ?       ?       12.390  6.1117  0.000000       6.111680 
1 1 1 -25 -30 40 o 14.412  7.2660  -79.7049   118.740  -61.9783   212.760  -87.7237   143.098  ?       ?       14.978  7.5961  0.000000       7.596076 
1 1 1 -25 -30 41 o 15.696  7.8350  -3.8319    121.799  -196.9403  225.454  75.758     144.739  ?       ?       17.239  8.5948  0.000000       8.594804 
1 1 1 -25 -30 42 o 23.182  9.1911  163.492    76.959   356.513    159.203  104.634    87.913   22.664  10.752  18.675  8.5625  3.989368       13.74516 
1 1 1 -25 -30 43 o 11.751  5.8082  -57.8026   60.717   -16.2538   137.174  -67.9264   67.711   15.747  7.9225  12.044  5.9843  3.702167       9.928681 
1 1 1 -25 -30 44 o 13.905  6.6789  -3.6950    65.532   6.7411     139.731  -6.6376    74.197   16.129  8.0999  14.231  6.9016  1.898160       10.64147 
1 1 1 -25 -30 45 o 16.708  7.6638  56.072     70.520   137.097    145.634  31.254     80.600   18.346  9.0542  15.767  7.5283  2.578674       11.77513 
1 1 1 -25 -30 46 o 17.559  7.8105  70.109     66.905   -18.0244   147.096  93.097     75.125   15.953  8.0488  18.667  8.2912  -2.713588      11.55537 
1 1 1 -25 -30 47 o 14.256  6.7640  6.8579     63.024   240.643    144.768  -47.8117   70.006   20.796  9.9723  12.793  6.3070  8.002897       11.79939 
1 1 1 -25 -30 48 o 17.828  7.7858  73.268     63.692   -73.4956   152.061  104.494    70.141   15.361  7.7947  19.638  8.3687  -4.276838      11.43641 
1 1 1 -25 -30 49 o 17.429  7.7685  69.135     66.537   81.650     147.438  65.935     74.562   17.311  8.6379  17.151  7.8717  0.1602707      11.68666 
1 1 1 -25 -30 50 o 17.654  8.2429  83.710     87.132   225.741    184.985  43.214     98.776   18.793  9.4214  16.266  7.9054  2.527559       12.29875 
1 1 1 -25 -30 51 o 13.912  6.8695  -26.6110   84.227   -146.1936  183.811  5.1710     94.761   ?       ?       15.050  7.4036  0.000000       7.403574 
1 1 1 -25 -30 52 o 17.898  7.9945  88.205     70.880   -110.8141  190.880  120.036    76.338   ?       ?       19.452  8.5086  0.000000       8.508615 
1 1 1 -25 -30 53 o 12.894  6.2548  -12.2408   61.037   -74.5249   144.715  1.2368     67.318   ?       ?       13.689  6.6227  0.000000       6.622672 
1 1 1 -25 -29 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -29 8  o 37.997  6.7097  256.541    59.599   0.0000     0.0000   256.541    59.599   ?       ?       37.997  6.7097  0.000000       6.709726 
1 1 1 -25 -29 9  o 17.470  7.4186  64.502     54.765   0.0000     0.0000   64.502     54.765   ?       ?       17.470  7.4186  0.000000       7.418552 
1 1 1 -25 -29 10 o ?       ?       -99.8259   8.8347   0.0000     0.0000   -99.8259   8.8347   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -29 11 o 36.696  7.9876  272.271    69.103   0.0000     0.0000   272.271    69.103   ?       ?       36.696  7.9876  0.000000       7.987589 
1 1 1 -25 -29 12 o 13.370  6.1838  7.6245     47.290   28.139     103.956  2.2713     53.103   16.188  7.9202  13.486  6.3409  2.701606       10.14579 
1 1 1 -25 -29 13 o 9.2313  4.6278  -87.4050   44.633   -121.0476  99.618   -78.9555   49.924   13.078  6.6013  10.117  5.0446  2.961317       8.308123 
1 1 1 -25 -29 14 o 11.587  5.6665  -43.5180   53.016   27.406     149.711  -53.6876   56.690   16.778  8.4201  11.603  5.7113  5.175593       10.17431 
1 1 1 -25 -29 15 o 16.181  6.9584  45.752     49.294   110.533    100.886  25.436     56.497   18.919  8.8453  15.001  6.8728  3.918083       11.20161 
1 1 1 -25 -29 16 f 16.776  7.4913  52.371     62.185   34.207     100.845  63.516     78.992   16.523  8.0206  17.383  8.0233  -0.8600769     11.34472 
1 1 1 -25 -29 17 o 13.711  6.5642  -9.7724    62.159   116.167    118.492  -57.5887   73.012   18.909  9.0554  12.905  6.3767  6.004101       11.07526 
1 1 1 -25 -29 18 o 29.769  8.9664  206.645    70.097   153.271    142.317  223.741    80.545   19.498  9.4794  28.842  9.7175  -9.343679      13.57532 
1 1 1 -25 -29 19 o 30.088  8.8099  204.232    68.435   306.700    121.769  156.926    82.737   26.785  11.199  22.941  9.3751  3.843515       14.60513 
1 1 1 -25 -29 20 o 48.088  6.7086  399.196    76.145   436.201    138.250  383.082    91.230   31.208  12.336  41.822  9.2367  -10.61444      15.41083 
1 1 1 -25 -29 21 o 31.460  8.8674  219.403    70.599   138.914    142.785  245.448    81.222   19.501  9.4840  31.301  9.6957  -11.80074      13.56293 
1 1 1 -25 -29 22 f 15.461  7.5349  -8.3091    91.415   97.533     125.533  -127.8025  133.384  18.795  9.0804  14.823  7.4978  3.971422       11.77587 
1 1 1 -25 -29 23 o 27.866  11.518  328.138    126.716  264.662    238.190  353.195    149.651  20.052  10.132  25.795  11.562  -5.742996      15.37343 
1 1 1 -25 -29 24 o 20.645  9.5595  144.275    113.479  221.236    213.483  113.965    133.974  19.994  10.037  19.253  9.3214  0.7408733      13.69759 
1 1 1 -25 -29 25 o 24.060  8.4870  132.210    61.679   64.063     130.672  151.746    69.963   18.129  8.8722  24.738  9.0005  -6.609194      12.63819 
1 1 1 -25 -29 26 o 15.363  7.2212  13.560     68.785   -123.1626  166.152  41.839     75.564   15.933  8.0909  16.872  7.8083  -0.9390221     11.24422 
1 1 1 -25 -29 27 o 15.909  7.3263  27.985     65.323   130.302    114.228  -21.7364   79.629   20.188  9.4299  14.625  7.1056  5.563466       11.80732 
1 1 1 -25 -29 28 o 20.409  8.4268  98.836     67.717   108.617    119.451  94.204     82.203   19.362  9.2226  19.504  8.6676  -0.1422577     12.65638 
1 1 1 -25 -29 29 o 15.675  7.3910  16.607     73.089   -249.0765  210.372  53.079     77.944   ?       ?       17.427  8.0167  0.000000       8.016743 
1 1 1 -25 -29 30 o 18.554  7.9077  71.931     62.638   97.114     117.799  62.004     73.961   18.984  9.0746  17.831  8.0486  1.153601       12.12966 
1 1 1 -25 -29 31 o 34.405  8.4999  243.366    70.545   204.223    134.218  258.307    82.922   21.773  10.187  32.415  9.7497  -10.64252      14.10067 
1 1 1 -25 -29 32 o 40.353  7.9822  312.747    75.387   358.362    135.943  292.490    90.593   27.853  11.750  33.487  10.217  -5.634306      15.57088 
1 1 1 -25 -29 33 o 23.715  8.8161  139.799    67.718   62.418     128.788  169.368    79.612   17.901  8.7708  24.589  9.4639  -6.687777      12.90312 
1 1 1 -25 -29 34 o 22.045  9.1766  139.667    81.246   54.920     152.691  173.137    95.958   17.780  8.8587  22.787  9.7514  -5.007557      13.17446 
1 1 1 -25 -29 35 o 26.502  10.038  214.422    88.672   396.875    162.834  137.510    105.723  25.262  11.609  20.294  9.3361  4.968298       14.89714 
1 1 1 -25 -29 36 o 35.059  9.2989  282.987    80.400   363.454    143.694  246.315    97.006   26.142  11.546  27.231  10.455  -1.088718      15.57612 
1 1 1 -25 -29 37 o 23.436  8.8939  144.248    69.689   216.227    139.258  120.199    80.494   21.172  10.048  20.524  8.8590  0.6479225      13.39569 
1 1 1 -25 -29 38 o 17.791  7.7683  67.545     63.380   -9.4406    132.883  90.216     72.111   16.201  8.1018  19.010  8.2938  -2.808502      11.59420 
1 1 1 -25 -29 39 o 15.062  7.0543  19.376     64.652   113.066    139.854  -6.0875    72.910   18.420  9.0481  14.418  6.9545  4.002088       11.41197 
1 1 1 -25 -29 40 o 15.653  7.8026  -18.1737   119.055  -17.2042   217.175  -18.5903   142.352  ?       ?       16.102  8.0972  0.000000       8.097235 
1 1 1 -25 -29 41 f 16.692  8.2633  33.894     124.693  265.162    242.215  -49.4992   145.448  18.957  9.6404  15.696  7.9293  3.260603       12.48242 
1 1 1 -25 -29 42 o 17.533  8.6043  75.517     125.542  122.439    231.996  56.087     149.289  ?       ?       17.199  8.5987  0.000000       8.598705 
1 1 1 -25 -29 43 o 15.466  7.2554  27.417     68.860   33.856     140.857  25.394     78.936   16.778  8.3828  15.663  7.4707  1.114819       11.22871 
1 1 1 -25 -29 44 f 15.687  7.3469  31.607     70.116   157.724    144.178  -7.4586    80.244   19.058  9.3251  14.605  7.1047  4.452651       11.72325 
1 1 1 -25 -29 45 o 15.100  7.4793  -20.2916   102.688  -87.1534   142.057  52.880     148.609  15.122  7.6585  17.137  8.5693  -2.014846      11.49286 
1 1 1 -25 -29 46 o 20.732  8.7304  122.040    74.840   171.447    152.012  106.232    85.983   19.229  9.4431  19.148  8.6574  0.8143425E-01  12.81102 
1 1 1 -25 -29 47 o 14.840  6.9172  18.897     60.959   5.3748     142.751  21.912     67.415   16.451  8.2511  15.236  7.1575  1.214481       10.92296 
1 1 1 -25 -29 48 o 12.967  6.2848  -25.7416   61.282   -169.9792  139.611  8.6819     68.204   ?       ?       14.708  6.9952  0.000000       6.995180 
1 1 1 -25 -29 49 o 17.743  7.8103  69.698     65.224   190.019    148.659  41.015     72.584   19.726  9.6123  16.206  7.5522  3.520115       12.22424 
1 1 1 -25 -29 50 o 14.095  6.9384  -30.1719   83.704   29.879     174.037  -48.2430   95.471   16.887  8.5441  14.199  7.0631  2.688285       11.08548 
1 1 1 -25 -29 51 o 19.790  9.2827  157.581    112.668  0.0000     0.0000   157.581    112.668  ?       ?       19.790  9.2827  0.000000       9.282692 
1 1 1 -25 -29 52 o 17.098  7.7154  66.526     67.899   115.486    147.592  53.383     76.472   17.653  8.7815  16.411  7.6819  1.241562       11.66737 
1 1 1 -25 -29 53 o 14.469  7.0786  -0.1741    82.987   18.084     151.372  -8.0198    99.228   15.934  8.0532  14.744  7.3120  1.189593       10.87743 
1 1 1 -25 -29 54 o ?       ?       -128.9091  130.294  -128.9091  130.294  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -28 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -28 8  o 7.7217  3.7890  -37.2635   24.325   0.0000     0.0000   -37.2635   24.325   ?       ?       7.7217  3.7890  0.000000       3.789035 
1 1 1 -25 -28 9  f 33.948  7.1180  211.988    56.758   0.0000     0.0000   211.988    56.758   ?       ?       33.948  7.1180  0.000000       7.117957 
1 1 1 -25 -28 10 o ?       ?       -668.4997  15.782   159.989    45.936   -779.3787  16.805   30.401  6.4283  ?       ?       0.000000       6.428255 
1 1 1 -25 -28 11 o 29.359  7.2508  162.827    51.347   133.368    95.914   174.661    60.791   20.185  9.1335  28.319  8.3066  -8.133612      12.34590 
1 1 1 -25 -28 12 o 25.888  8.0981  145.119    56.503   89.822     119.713  160.969    64.091   18.179  8.8040  26.060  8.6675  -7.880503      12.35455 
1 1 1 -25 -28 13 o 39.268  7.3141  283.340    67.125   336.039    131.066  264.604    78.152   26.630  11.396  33.735  9.2643  -7.104855      14.68679 
1 1 1 -25 -28 14 o 16.230  7.0848  43.036     52.682   102.304    109.481  25.177     60.097   18.867  8.9408  15.334  7.0486  3.532699       11.38507 
1 1 1 -25 -28 15 o 25.868  8.4778  150.798    61.401   276.081    175.386  133.298    65.549   21.441  10.446  23.320  8.6728  -1.878361      13.57733 
1 1 1 -25 -28 16 o 17.023  7.5534  50.618     62.199   2.0854     102.190  79.178     78.393   16.101  7.8727  18.623  8.3566  -2.521494      11.48094 
1 1 1 -25 -28 17 o 17.379  7.8254  54.078     69.417   -24.3161   124.733  89.252     83.551   16.231  8.0740  19.168  8.6123  -2.936705      11.80514 
1 1 1 -25 -28 18 o 11.633  5.7572  -73.3786   60.376   -184.5193  115.211  -31.3006   70.890   13.435  6.8135  13.815  6.7106  -0.3809385     9.563268 
1 1 1 -25 -28 19 o 29.012  8.7201  182.962    66.350   103.164    117.658  220.172    80.344   19.419  9.2217  29.706  9.6960  -10.28771      13.38101 
1 1 1 -25 -28 20 o 31.869  8.2960  203.127    64.775   178.831    132.304  210.787    74.288   21.577  10.101  30.324  9.2523  -8.747406      13.69810 
1 1 1 -25 -28 21 o 20.565  8.0071  89.581     57.501   13.858     138.563  105.334    63.199   17.546  8.6905  21.604  8.3992  -4.057463      12.08603 
1 1 1 -25 -28 22 o 16.028  7.1314  32.477     55.812   71.268     125.984  23.005     62.254   18.740  9.0645  15.747  7.2147  2.992752       11.58521 
1 1 1 -25 -28 23 f 15.858  7.8056  -30.7947   105.827  -42.8883   191.746  -25.4973   126.905  17.649  8.9337  16.657  8.2621  0.9912529      12.16851 
1 1 1 -25 -28 24 o 13.141  6.6367  -163.4027  101.511  30.315     181.331  -251.8204  122.506  18.438  9.2549  ?       ?       0.000000       9.254905 
1 1 1 -25 -28 25 o 14.330  6.7711  -6.5602    61.939   -74.6587   110.488  24.649     74.797   15.173  7.5559  16.428  7.6591  -1.254880      10.75885 
1 1 1 -25 -28 26 o 24.064  8.9140  136.165    69.110   175.325    121.078  117.242    84.168   22.379  10.179  21.355  9.1354  1.023815       13.67761 
1 1 1 -25 -28 27 o 15.997  7.3645  23.070     65.938   -60.4752   113.895  65.189     80.869   15.604  7.7544  18.495  8.3762  -2.891395      11.41450 
1 1 1 -25 -28 28 o 11.664  5.7570  -71.5929   58.931   -58.2521   104.653  -77.7874   71.312   15.244  7.5507  12.660  6.2639  2.584173       9.810661 
1 1 1 -25 -28 29 o 12.656  6.0598  -26.7678   53.018   -68.9871   114.228  -15.1753   59.856   15.432  7.6847  13.782  6.5545  1.649991       10.10033 
1 1 1 -25 -28 30 o 19.295  8.0592  76.448     62.967   -58.5964   122.023  125.459    73.511   15.899  7.9214  22.584  8.9736  -6.684364      11.96974 
1 1 1 -25 -28 31 o 16.378  7.3547  34.839     60.843   147.647    118.113  -5.9080    70.986   21.255  9.8105  14.903  7.1017  6.351338       12.11115 
1 1 1 -25 -28 32 o 14.411  6.7724  -0.8697    60.441   -65.1708   121.208  20.411     69.729   15.677  7.8240  15.930  7.4164  -0.2532959     10.78042 
1 1 1 -25 -28 33 o 22.169  8.6825  116.904    67.915   131.160    125.180  110.957    80.849   20.311  9.6062  20.847  8.9367  -0.5353794     13.12031 
1 1 1 -25 -28 34 o 15.946  7.6891  2.9455     88.971   3.1616     149.614  2.8273     110.664  17.403  8.6867  16.627  8.1428  0.7761955      11.90647 
1 1 1 -25 -28 35 o 18.095  8.4159  64.060     89.438   -36.9478   157.243  112.366    108.741  16.855  8.4806  19.801  9.2328  -2.945747      12.53657 
1 1 1 -25 -28 36 f 20.243  8.7597  104.864    79.103   207.450    160.732  72.076     90.869   20.959  10.163  18.332  8.5116  2.626848       13.25629 
1 1 1 -25 -28 37 o 21.039  8.6512  111.282    71.002   306.000    141.736  46.048     82.038   24.815  11.177  17.095  7.9872  7.720409       13.73767 
1 1 1 -25 -28 38 f 38.381  9.0893  319.669    83.340   329.017    153.660  315.773    99.198   24.261  11.195  32.964  10.774  -8.703218      15.53773 
1 1 1 -25 -28 39 o 15.247  7.1386  17.587     66.116   39.685     139.909  11.233     75.022   17.400  8.6380  15.353  7.3119  2.046907       11.31717 
1 1 1 -25 -28 40 o 23.186  10.647  266.684    136.667  170.366    260.239  303.363    160.595  ?       ?       22.572  10.735  0.000000       10.73501 
1 1 1 -25 -28 41 o 19.610  9.4350  148.004    132.112  27.301     255.810  191.906    154.279  ?       ?       20.058  9.7781  0.000000       9.778070 
1 1 1 -25 -28 42 o 25.726  11.363  346.170    139.221  477.668    257.455  291.826    165.507  20.969  10.588  21.720  10.477  -0.7505436     14.89512 
1 1 1 -25 -28 43 o 24.757  9.4626  177.744    79.242   175.251    148.483  178.736    93.701   19.698  9.6003  22.858  9.7050  -3.160204      13.65109 
1 1 1 -25 -28 44 o 29.097  9.5126  220.481    77.321   243.160    150.468  212.344    90.132   21.191  10.163  25.598  10.009  -4.407019      14.26411 
1 1 1 -25 -28 45 o 13.552  6.7991  -93.6615   97.237   -95.1064   130.295  -91.8452   146.082  14.853  7.5034  15.330  7.7641  -0.4773684     10.79734 
1 1 1 -25 -28 46 o 15.701  7.3358  28.743     69.190   46.449     131.185  21.919     81.437   17.184  8.5015  15.784  7.5451  1.399936       11.36674 
1 1 1 -25 -28 47 o 17.844  7.8140  68.108     64.538   -70.3546   136.231  108.175    73.283   15.399  7.7661  20.171  8.5738  -4.771779      11.56817 
1 1 1 -25 -28 48 o 21.377  8.6266  119.054    69.031   143.993    151.216  112.489    77.587   19.107  9.3901  20.243  8.7177  -1.136269      12.81297 
1 1 1 -25 -28 49 o 11.987  5.9134  -59.6983   61.877   3.0816     140.449  -74.8185   68.927   16.589  8.3005  12.171  6.0455  4.418122       10.26873 
1 1 1 -25 -28 50 o 18.614  8.6372  94.189     93.349   115.401    183.467  86.780     108.434  18.239  9.1749  18.146  8.6826  0.9370613E-01  12.63191 
1 1 1 -25 -28 51 o 17.858  8.5733  81.827     107.705  0.0000     0.0000   81.827     107.705  ?       ?       17.858  8.5733  0.000000       8.573320 
1 1 1 -25 -28 52 o 19.270  9.4754  186.377    154.644  186.377    154.644  0.0000     0.0000   19.270  9.4754  ?       ?       0.000000       9.475402 
1 1 1 -25 -28 53 o 17.306  8.6519  89.915     151.074  89.915     151.074  0.0000     0.0000   17.306  8.6519  ?       ?       0.000000       8.651947 
1 1 1 -25 -28 54 o 15.931  8.0377  18.437     146.673  18.437     146.673  0.0000     0.0000   15.931  8.0377  ?       ?       0.000000       8.037668 
1 1 1 -25 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -27 8  o 6.5331  3.2516  -43.7755   20.343   0.0000     0.0000   -43.7755   20.343   ?       ?       6.5331  3.2516  0.000000       3.251570 
1 1 1 -25 -27 9  o 15.539  6.2172  38.869     35.525   -17.2900   89.423   49.393     38.710   14.965  7.3271  16.736  6.5550  -1.770773      9.831294 
1 1 1 -25 -27 10 o 16.190  7.5204  34.590     71.054   0.0000     0.0000   34.590     71.054   ?       ?       16.190  7.5204  0.000000       7.520375 
1 1 1 -25 -27 11 o 14.870  6.4791  28.188     43.877   14.514     102.732  31.239     48.526   16.370  7.9798  15.313  6.7389  1.056600       10.44462 
1 1 1 -25 -27 12 o 23.238  8.1722  119.318    57.148   235.610    112.694  79.059     66.306   24.737  10.576  18.900  8.0974  5.837662       13.32009 
1 1 1 -25 -27 13 o 35.310  7.4783  228.914    62.076   177.924    125.626  245.386    71.403   21.442  9.9732  34.518  8.5659  -13.07531      13.14680 
1 1 1 -25 -27 14 f 18.473  7.6090  66.999     55.040   -33.7577   104.507  105.674    64.748   15.529  7.6651  21.316  8.4370  -5.787173      11.39899 
1 1 1 -25 -27 15 o 14.733  6.6381  18.295     50.045   -33.0940   96.087   37.424     58.624   15.280  7.5046  16.381  7.2972  -1.100688      10.46747 
1 1 1 -25 -27 16 o 16.233  6.9930  38.253     49.960   131.791    93.769   1.1734     59.038   21.557  9.4299  14.433  6.7538  7.124525       11.59897 
1 1 1 -25 -27 17 o 15.527  7.1827  16.009     63.828   -23.4668   118.320  32.213     75.804   16.506  8.1488  16.807  7.7932  -0.3008480     11.27553 
1 1 1 -25 -27 18 o 12.639  6.1671  -50.8867   61.791   -81.0427   109.309  -36.7254   74.907   15.062  7.5032  14.174  6.8878  0.8881445      10.18530 
1 1 1 -25 -27 19 o 22.694  7.6524  99.752     49.948   123.287    122.530  95.062     54.699   20.681  9.6943  21.660  7.9465  -0.9790840     12.53501 
1 1 1 -25 -27 20 o 22.984  7.7835  103.313    51.677   142.575    122.239  94.769     57.023   21.477  9.9367  21.509  8.0714  -0.3161240E-01 12.80178 
1 1 1 -25 -27 21 o 15.146  6.8268  17.534     52.986   179.901    135.034  -12.0159   57.607   22.474  10.414  13.889  6.5527  8.585883       12.30426 
1 1 1 -25 -27 22 o 28.726  8.5913  168.438    64.523   90.276     145.864  187.452    71.944   19.845  9.6362  29.354  9.1306  -9.509138      13.27493 
1 1 1 -25 -27 23 o 14.723  7.3425  -100.1704  105.911  -222.5189  201.353  -53.3729   124.529  ?       ?       16.464  8.1693  0.000000       8.169341 
1 1 1 -25 -27 24 f 19.782  9.2493  83.851     110.333  100.226    205.672  77.234     130.736  20.095  10.053  19.599  9.4189  0.4959984      13.77616 
1 1 1 -25 -27 25 o 19.807  8.2564  77.864     65.902   8.4632     114.879  111.907    80.458   17.569  8.5356  21.759  9.1009  -4.190031      12.47733 
1 1 1 -25 -27 26 o 17.891  7.8339  50.693     64.860   51.001     111.760  50.536     79.644   18.719  8.9174  18.170  8.2615  0.5486469      12.15617 
1 1 1 -25 -27 27 o 26.639  8.5800  146.776    63.035   251.012    124.289  110.679    73.140   26.584  11.226  22.066  8.8884  4.517504       14.31854 
1 1 1 -25 -27 28 o 24.443  8.7054  129.255    65.044   223.243    130.351  98.094     75.056   24.669  10.941  21.013  8.7897  3.655834       14.03437 
1 1 1 -25 -27 29 o 11.078  5.4627  -71.2850   52.636   26.153     110.218  -100.0732  59.909   17.895  8.6118  11.098  5.5328  6.796576       10.23592 
1 1 1 -25 -27 30 o 19.153  7.9335  69.230     60.298   104.155    116.371  56.411     70.501   20.396  9.5240  18.271  8.0776  2.125278       12.48818 
1 1 1 -25 -27 31 o 22.038  8.6233  107.271    66.944   107.798    119.748  107.032    80.739   20.418  9.5751  21.265  9.0175  -0.8466301     13.15287 
1 1 1 -25 -27 32 o 33.953  9.1925  243.581    77.591   351.440    132.156  186.844    95.849   30.734  12.089  25.412  10.197  5.322247       15.81489 
1 1 1 -25 -27 33 o 15.035  7.1212  -4.2817    69.270   53.449     117.743  -34.8401   85.664   18.570  8.9279  14.976  7.2973  3.594269       11.53075 
1 1 1 -25 -27 34 o 15.227  7.3992  -26.0371   86.440   227.954    143.300  -171.3139  108.377  23.361  10.791  13.510  6.8269  9.851257       12.76920 
1 1 1 -25 -27 35 o 19.024  8.7492  75.936     92.745   107.300    147.612  55.479     119.215  19.748  9.6131  18.448  8.8970  1.300066       13.09836 
1 1 1 -25 -27 36 o 17.073  8.0852  30.750     89.223   100.741    155.035  -3.9110    109.101  19.434  9.5423  16.609  8.1236  2.825689       12.53185 
1 1 1 -25 -27 37 o 11.328  5.6174  -79.9121   58.552   -146.0998  117.622  -58.1077   67.511   14.205  7.1704  12.815  6.2933  1.389447       9.540426 
1 1 1 -25 -27 38 o 27.095  9.3493  181.225    74.626   57.236     144.110  226.658    87.233   18.280  9.0187  28.829  10.099  -10.54929      13.53987 
1 1 1 -25 -27 39 o 32.021  9.4517  240.056    78.490   120.732    153.837  282.049    91.262   19.351  9.5022  32.730  10.301  -13.37840      14.01402 
1 1 1 -25 -27 40 o 17.427  8.3327  47.692     99.498   34.335     134.566  63.802     147.784  17.500  8.6489  18.143  8.9843  -0.6436100     12.47080 
1 1 1 -25 -27 41 o 18.148  8.8512  71.747     126.889  -118.4139  233.200  151.726    151.237  ?       ?       19.722  9.6286  0.000000       9.628637 
1 1 1 -25 -27 42 o 16.883  8.3851  12.795     132.388  -216.4308  231.714  123.886    161.309  ?       ?       18.940  9.3802  0.000000       9.380183 
1 1 1 -25 -27 43 o 20.850  8.6744  113.521    72.543   79.458     138.274  126.457    85.211   18.138  8.9269  20.831  9.0530  -2.692965      12.71399 
1 1 1 -25 -27 44 f 13.033  6.3728  -41.0620   67.001   -82.4206   132.431  -26.8340   77.675   15.263  7.6927  14.164  6.9120  1.099133       10.34181 
1 1 1 -25 -27 45 o 19.826  8.5621  102.014    75.269   136.048    143.942  89.206     88.304   19.202  9.3789  18.713  8.5805  0.4886646      12.71182 
1 1 1 -25 -27 46 o 20.383  8.7057  111.300    76.214   2.0647     148.634  150.266    88.772   16.813  8.4312  21.914  9.3784  -5.100403      12.61109 
1 1 1 -25 -27 47 o 16.707  7.5561  47.073     65.558   87.737     141.696  35.997     73.949   18.258  8.9955  16.312  7.6087  1.945557       11.78180 
1 1 1 -25 -27 48 o 13.730  6.5525  -10.2501   60.913   -109.2026  134.089  15.480     68.376   14.993  7.5779  15.253  7.1791  -0.2600031     10.43855 
1 1 1 -25 -27 49 o 25.249  8.9406  157.910    68.511   267.304    153.022  130.484    76.619   22.292  10.566  21.804  8.9788  0.4877319      13.86555 
1 1 1 -25 -27 50 o 13.256  6.5515  -59.2564   77.228   70.563     160.235  -98.5364   88.140   17.986  8.9795  13.080  6.5494  4.905846       11.11421 
1 1 1 -25 -27 51 o 17.920  9.0029  74.264     173.600  74.264     173.600  0.0000     0.0000   17.920  9.0029  ?       ?       0.000000       9.002918 
1 1 1 -25 -27 52 o 17.473  8.7275  59.264     152.108  59.264     152.108  0.0000     0.0000   17.473  8.7275  ?       ?       0.000000       8.727475 
1 1 1 -25 -27 53 o ?       ?       -160.2465  138.278  -160.2465  138.278  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -27 54 o 12.352  6.0579  -40.0299   61.911   -3.1781    150.128  -47.5811   67.959   16.013  8.0852  12.569  6.1998  3.444033       10.18859 
1 1 1 -25 -27 55 o 15.508  7.6803  19.787     108.116  485.942    269.325  -69.7654   118.045  ?       ?       14.182  7.1619  0.000000       7.161896 
1 1 1 -25 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -26 8  o 18.094  6.4906  58.279     36.219   42.648     95.140   60.928     39.168   17.137  8.1814  18.263  6.7207  -1.125769      10.58786 
1 1 1 -25 -26 9  o 37.201  5.7255  218.771    50.024   128.561    111.349  241.582    55.992   20.157  9.3802  38.320  6.2365  -18.16259      11.26415 
1 1 1 -25 -26 10 o 23.873  9.0181  143.218    71.439   221.547    164.065  124.893    79.357   21.303  10.314  21.628  9.0416  -0.3248978     13.71622 
1 1 1 -25 -26 11 o 10.853  5.2093  -30.1322   39.725   100.058    99.471   -54.8359   43.330   19.645  9.0442  10.292  5.0516  9.352654       10.35937 
1 1 1 -25 -26 12 o 19.962  7.5064  77.980     49.369   211.824    100.987  35.947     56.593   25.734  10.417  16.285  7.2164  9.449724       12.67217 
1 1 1 -25 -26 13 o 97.555  6.8620  1608.34    161.396  1596.27    365.465  1611.26    179.887  30.510  14.911  92.889  8.0612  -62.37880      16.95097 
1 1 1 -25 -26 14 o 25.862  8.0358  132.776    55.743   459.690    104.691  3.4224     65.854   46.788  9.5450  15.127  7.0959  31.66148       11.89364 
1 1 1 -25 -26 15 o 15.188  6.7889  20.303     51.213   78.549     94.295   -4.0663    60.993   19.399  8.8847  14.512  6.8144  4.886846       11.19705 
1 1 1 -25 -26 16 o 16.852  7.1993  41.511     52.141   37.463     99.747   43.033     61.163   17.974  8.5225  17.233  7.5751  0.7409744      11.40238 
1 1 1 -25 -26 17 o 13.417  6.4453  -31.8233   61.075   -48.5901   114.285  -25.1207   72.258   16.224  8.0094  14.583  7.0067  1.641032       10.64165 
1 1 1 -25 -26 18 o 23.396  8.6391  117.094    64.810   74.628     162.592  125.117    70.667   19.829  9.7432  23.603  8.9564  -3.774683      13.23438 
1 1 1 -25 -26 19 o 15.072  6.5629  22.101     44.960   68.796     116.881  13.991     48.708   19.549  9.2565  14.759  6.6074  4.789823       11.37279 
1 1 1 -25 -26 20 o 11.936  5.6054  -18.3738   41.285   -61.5356   105.695  -10.6028   44.848   15.720  7.7499  12.834  5.9658  2.886360       9.780141 
1 1 1 -25 -26 21 o 23.491  8.0625  107.059    55.461   251.020    140.880  80.656     60.333   25.831  11.419  20.469  8.1308  5.361528       14.01814 
1 1 1 -25 -26 22 o 38.780  7.6019  259.802    68.974   304.432    145.098  246.772    78.398   27.973  11.981  35.105  9.1211  -7.131874      15.05810 
1 1 1 -25 -26 23 o 28.309  11.364  254.200    119.105  293.626    319.838  247.852    128.336  22.155  11.248  26.937  11.393  -4.782152      16.01007 
1 1 1 -25 -26 24 o 16.894  8.2557  -29.3815   111.913  61.707     299.035  -44.2173   120.683  ?       ?       16.908  8.3249  0.000000       8.324896 
1 1 1 -25 -26 25 o 34.227  8.9455  230.421    75.119   384.428    268.722  217.366    78.238   23.857  11.865  32.131  9.4231  -8.273806      15.15163 
1 1 1 -25 -26 26 o 16.459  7.3130  27.759     58.497   -56.5830   121.065  53.448     66.814   16.674  8.2337  18.451  8.0174  -1.777273      11.49225 
1 1 1 -25 -26 27 o 12.168  5.8641  -41.4776   51.568   -65.8925   115.826  -35.4416   57.591   16.241  8.0262  13.091  6.2805  3.150440       10.19146 
1 1 1 -25 -26 28 f 39.117  7.6554  264.759    70.058   264.277    128.388  264.964    83.601   27.832  11.556  35.849  9.4697  -8.017384      14.94070 
1 1 1 -25 -26 29 o 33.992  8.7394  223.743    72.481   281.620    129.339  197.246    87.514   28.611  11.710  28.368  10.098  0.2434406      15.46309 
1 1 1 -25 -26 30 o 25.582  9.1800  145.312    72.459   93.387     127.317  170.189    88.123   20.535  9.7044  25.945  9.9640  -5.410841      13.90893 
1 1 1 -25 -26 31 o 14.602  6.9290  -16.3492   66.193   11.307     113.939  -30.4383   81.324   17.885  8.6435  15.165  7.3223  2.720201       11.32808 
1 1 1 -25 -26 32 o 14.437  6.8712  -19.1807   66.030   -102.4984  112.167  25.004     81.683   15.179  7.5674  17.218  8.0197  -2.039772      11.02638 
1 1 1 -25 -26 33 o 40.307  8.5422  306.586    80.948   260.091    133.953  333.332    101.597  26.385  11.408  37.311  10.680  -10.92597      15.62726 
1 1 1 -25 -26 34 o 17.864  8.3072  39.403     87.084   47.069     150.285  35.528     106.851  19.120  9.3896  18.188  8.6798  0.9321251      12.78680 
1 1 1 -25 -26 35 o 15.944  7.7084  -16.1390   90.845   -41.6979   148.808  -0.9539    114.700  17.393  8.6785  17.277  8.4243  0.1150608      12.09483 
1 1 1 -25 -26 36 o 14.666  7.1903  -50.8828   86.985   -61.2417   152.902  -45.9260   105.769  17.089  8.5667  15.781  7.7746  1.307545       11.56861 
1 1 1 -25 -26 37 o 22.251  9.2427  125.608    82.171   363.281    153.651  30.406     97.245   27.842  12.128  17.492  8.3288  10.35010       14.71232 
1 1 1 -25 -26 38 o 16.568  7.4472  35.305     62.545   62.350     122.820  25.835     72.674   18.693  9.0190  16.447  7.6278  2.246618       11.81215 
1 1 1 -25 -26 39 o 15.923  7.4454  17.487     71.504   -150.1552  158.306  60.456     80.146   15.774  7.9988  18.176  8.2734  -2.402112      11.50782 
1 1 1 -25 -26 40 o 10.819  5.4244  -111.6518  61.434   -78.7469   120.052  -123.3256  71.506   15.353  7.6812  11.541  5.7955  3.812566       9.622298 
1 1 1 -25 -26 41 o 23.142  10.581  229.490    132.989  341.825    241.013  180.313    159.463  21.259  10.671  20.629  10.030  0.6295090      14.64492 
1 1 1 -25 -26 42 o 24.653  11.175  300.070    144.327  331.306    254.475  285.258    175.238  20.692  10.457  22.209  10.730  -1.516716      14.98221 
1 1 1 -25 -26 43 o 18.339  8.6749  74.374     102.170  115.395    138.236  24.988     151.679  19.245  9.3533  17.522  8.7462  1.723072       12.80550 
1 1 1 -25 -26 44 o 14.805  7.0584  -0.0866    70.302   -132.5477  134.363  49.846     82.495   14.822  7.5002  17.247  8.0420  -2.425171      10.99667 
1 1 1 -25 -26 45 o 14.015  6.7878  -22.6810   71.192   -114.5927  139.339  9.7880     82.817   15.190  7.6813  15.699  7.5318  -0.5090046     10.75777 
1 1 1 -25 -26 46 o 19.715  8.7621  102.596    84.024   260.060    278.376  86.813     88.134   ?       ?       18.822  8.6092  0.000000       8.609208 
1 1 1 -25 -26 47 o 17.991  8.0871  66.814     73.765   113.521    312.687  64.061     75.908   ?       ?       17.838  8.0932  0.000000       8.093162 
1 1 1 -25 -26 48 o 14.964  6.9370  15.658     60.011   -73.3729   134.678  37.715     67.034   15.632  7.8632  16.386  7.4997  -0.7533855     10.86625 
1 1 1 -25 -26 49 o 18.411  7.9483  70.816     64.817   -84.5665   139.257  113.788    73.234   15.647  7.8867  21.101  8.7420  -5.453630      11.77377 
1 1 1 -25 -26 50 o ?       ?       -154.1857  175.998  -154.1857  175.998  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -26 51 o ?       ?       -147.2383  171.756  -147.2383  171.756  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -26 52 o 20.940  9.3191  139.902    95.369   -11.1834   169.345  210.075    115.410  16.943  8.5589  22.830  10.199  -5.886782      13.31467 
1 1 1 -25 -26 53 o 13.674  6.6249  -21.0058   67.942   206.918    166.246  -66.7071   74.442   19.914  9.7984  12.776  6.3353  7.138212       11.66807 
1 1 1 -25 -26 54 o 18.887  8.0963  88.460     66.355   115.943    167.375  83.336     72.278   18.000  9.0147  18.328  8.1369  -0.3277111     12.14388 
1 1 1 -25 -26 55 o 16.403  7.9871  48.115     102.111  23.421     270.237  52.227     110.287  ?       ?       16.552  8.1110  0.000000       8.110991 
1 1 1 -25 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -25 8  o 18.758  6.5134  61.623     36.247   54.712     75.211   63.714     41.369   17.703  8.0412  18.713  6.9036  -1.009714      10.59815 
1 1 1 -25 -25 9  o 17.678  7.5610  54.976     57.634   -30.2090   81.738   139.202    81.277   14.709  7.1586  22.904  9.3181  -8.195148      11.75045 
1 1 1 -25 -25 10 o 15.035  6.9501  10.506     59.604   53.499     146.424  1.9676     65.256   18.663  9.1854  14.975  7.0370  3.688817       11.57115 
1 1 1 -25 -25 11 o 16.469  6.8248  40.792     44.653   47.901     93.062   38.665     50.894   18.065  8.4617  16.486  7.0794  1.579248       11.03263 
1 1 1 -25 -25 12 o 15.083  6.5755  23.645     45.250   -11.4639   94.738   34.021     51.505   16.228  7.8523  16.234  7.0467  -0.5989075E-02 10.55057 
1 1 1 -25 -25 13 o 12.345  5.8171  -18.7038   45.147   -7.1698    87.831   -22.8456   52.632   16.143  7.7480  12.979  6.1648  3.164185       9.901314 
1 1 1 -25 -25 14 o 11.894  5.6695  -28.6568   45.318   -71.0563   86.568   -12.6503   53.189   14.289  7.0384  13.579  6.3723  0.7099943      9.494494 
1 1 1 -25 -25 15 o 20.719  7.8814  81.413     54.806   9.8987     100.100  112.028    65.494   17.402  8.3308  23.036  8.6490  -5.634014      12.00868 
1 1 1 -25 -25 16 o 16.925  7.2904  37.799     54.288   52.085     103.801  32.420     63.694   19.044  8.9256  16.972  7.5800  2.071751       11.70991 
1 1 1 -25 -25 17 o 16.208  7.1533  26.547     55.061   -67.5431   153.179  40.508     59.005   17.631  8.7986  17.372  7.5415  0.2586174      11.58834 
1 1 1 -25 -25 18 o 30.904  9.0036  191.736    71.636   120.738    167.693  207.584    79.229   21.463  10.401  31.130  9.5651  -9.667233      14.13033 
1 1 1 -25 -25 19 o 10.186  4.9569  -48.6823   39.165   -61.1100   101.495  -46.5080   42.453   15.764  7.7363  10.787  5.2290  4.976761       9.337700 
1 1 1 -25 -25 20 o 16.634  6.9819  35.757     47.612   -23.3152   108.275  49.918     53.012   17.127  8.3132  18.071  7.4581  -0.9436588     11.16838 
1 1 1 -25 -25 21 o 24.841  8.3870  119.332    60.000   128.474    125.497  116.624    68.313   22.395  10.254  23.797  8.8531  -1.401682      13.54722 
1 1 1 -25 -25 22 o 10.558  5.2371  -87.4402   51.010   -74.1886   106.709  -91.3653   58.075   15.858  7.8118  11.338  5.6176  4.520068       9.621952 
1 1 1 -25 -25 23 o 27.767  10.750  204.213    103.203  351.636    314.660  186.443    109.246  23.648  11.911  26.027  10.720  -2.378424      16.02491 
1 1 1 -25 -25 24 o 33.660  11.258  288.203    108.106  35.434     324.550  319.748    114.654  ?       ?       34.981  11.591  0.000000       11.59071 
1 1 1 -25 -25 25 o 27.489  10.890  206.669    107.973  525.513    315.603  164.404    114.907  25.468  12.697  24.487  10.577  0.9810066      16.52502 
1 1 1 -25 -25 26 o 35.561  7.8313  218.396    65.746   146.947    131.102  242.401    75.992   23.144  10.553  36.015  8.7764  -12.87083      13.72525 
1 1 1 -25 -25 27 o 43.015  7.2656  303.819    73.131   118.274    137.837  376.510    86.275   22.012  10.306  46.953  7.8499  -24.94183      12.95547 
1 1 1 -25 -25 28 o 16.430  7.4535  17.931     64.365   0.3149     117.071  25.563     77.057   18.199  8.7865  17.510  8.0241  0.6882973      11.89914 
1 1 1 -25 -25 29 o 20.313  8.4974  75.714     70.156   116.837    120.348  54.546     86.344   22.032  10.071  19.209  8.6813  2.822245       13.29596 
1 1 1 -25 -25 30 o 11.012  5.5096  -119.9418  61.822   -171.1147  104.964  -92.7616   76.498   13.814  6.9477  13.188  6.5186  0.6258097      9.526940 
1 1 1 -25 -25 31 o 16.931  7.7055  23.510     69.500   194.922    117.236  -69.3728   86.299   25.589  10.859  14.575  7.1489  11.01351       13.00129 
1 1 1 -25 -25 32 o 29.135  9.4805  183.702    76.835   144.660    129.319  205.005    95.524   22.647  10.384  28.271  10.478  -5.623722      14.75234 
1 1 1 -25 -25 33 o 18.070  7.9771  46.101     68.507   174.710    114.736  -25.1526   85.402   24.391  10.552  15.734  7.5739  8.656641       12.98898 
1 1 1 -25 -25 34 o 19.575  8.9082  67.932     92.864   23.229     145.873  98.394     120.417  19.019  9.3217  20.827  9.7126  -1.807518      13.46213 
1 1 1 -25 -25 35 o 19.024  8.8489  55.893     98.911   87.857     203.130  45.958     113.243  20.433  10.187  18.910  8.9995  1.523590       13.59255 
1 1 1 -25 -25 36 o 17.536  8.4173  12.795     103.698  -30.7868   202.132  28.362     120.807  18.777  9.4687  18.425  8.9033  0.3519669      12.99706 
1 1 1 -25 -25 37 o 23.905  9.5278  142.829    83.103   105.600    155.022  157.841    98.443   20.401  9.9126  23.739  10.006  -3.337999      14.08454 
1 1 1 -25 -25 38 f 34.042  9.3746  247.711    79.894   144.504    146.126  291.717    95.418   21.234  10.138  34.516  10.476  -13.28244      14.57805 
1 1 1 -25 -25 39 o ?       ?       -282.9766  60.180   -219.2000  129.302  -300.6113  67.992   14.076  7.1468  ?       ?       0.000000       7.146803 
1 1 1 -25 -25 40 o 11.249  5.6162  -102.5237  62.676   -277.5642  130.460  -50.0012   71.463   ?       ?       13.509  6.6006  0.000000       6.600574 
1 1 1 -25 -25 41 o 16.121  7.9911  -40.2906   117.996  -130.2951  266.973  -18.4404   131.541  ?       ?       16.938  8.4032  0.000000       8.403196 
1 1 1 -25 -25 42 o 16.142  7.9349  -18.7845   108.155  -214.1625  261.237  21.632     118.817  ?       ?       17.375  8.4939  0.000000       8.493858 
1 1 1 -25 -25 43 o 10.393  5.2258  -119.0106  59.151   -28.0980   131.761  -141.9566  66.196   16.549  8.2430  10.650  5.3764  5.899252       9.841363 
1 1 1 -25 -25 44 o 22.325  8.7914  123.085    69.969   133.349    152.643  120.354    78.727   19.700  9.6301  21.401  8.9802  -1.700823      13.16747 
1 1 1 -25 -25 45 f 17.331  7.7821  52.143     68.102   157.204    159.180  28.604     75.346   20.018  9.7956  16.318  7.6342  3.699564       12.41916 
1 1 1 -25 -25 46 o 15.994  7.4348  26.143     69.659   32.117     281.575  25.754     71.894   ?       ?       16.055  7.4933  0.000000       7.493342 
1 1 1 -25 -25 47 o 29.766  9.8220  228.102    82.363   30.084     299.511  244.302    85.666   ?       ?       30.529  10.014  0.000000       10.01428 
1 1 1 -25 -25 48 o 15.029  7.2894  -14.9148   82.845   170.723    156.416  -87.2948   97.669   20.338  9.8992  14.034  7.0072  6.303868       12.12825 
1 1 1 -25 -25 49 o 21.475  10.443  241.231    173.047  241.231    173.047  0.0000     0.0000   21.475  10.443  ?       ?       0.000000       10.44320 
1 1 1 -25 -25 50 o 17.229  8.7485  -55.1980   193.936  -55.1980   193.936  0.0000     0.0000   17.229  8.7485  ?       ?       0.000000       8.748475 
1 1 1 -25 -25 51 o 20.187  10.134  226.068    217.797  226.068    217.797  0.0000     0.0000   20.187  10.134  ?       ?       0.000000       10.13428 
1 1 1 -25 -25 52 o 20.125  8.6100  101.154    74.773   -75.0448   209.051  127.003    80.070   ?       ?       21.527  9.0460  0.000000       9.046000 
1 1 1 -25 -25 53 o 25.942  9.3990  179.721    76.180   389.678    173.720  129.733    84.765   24.178  11.399  21.109  9.1012  3.069187       14.58642 
1 1 1 -25 -25 54 o 14.758  6.9296  13.210     63.069   209.360    162.261  -21.6978   68.451   20.047  9.8269  13.676  6.6316  6.371257       11.85520 
1 1 1 -25 -25 55 o 16.653  8.1419  45.049     109.273  125.272    267.144  28.930     119.749  ?       ?       16.397  8.1137  0.000000       8.113670 
1 1 1 -25 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -24 7  o 14.384  6.0800  24.037     36.514   0.0000     0.0000   24.037     36.514   ?       ?       14.384  6.0800  0.000000       6.079978 
1 1 1 -25 -24 8  o 19.679  6.8042  68.205     39.536   -181.1645  122.234  97.342     41.782   14.173  7.1699  23.526  6.8824  -9.352955      9.938602 
1 1 1 -25 -24 9  o 12.611  6.0112  -25.9516   50.944   -24.3353   68.028   -28.0154   76.869   14.243  6.8314  14.742  7.1180  -0.4988489     9.865777 
1 1 1 -25 -24 10 o 22.904  8.8609  117.256    70.070   140.957    174.775  112.717    76.486   21.009  10.277  22.108  9.0219  -1.099024      13.67518 
1 1 1 -25 -24 11 o 16.915  6.6848  43.810     40.588   -103.6885  94.435   77.231     44.952   14.103  7.0171  20.770  7.2511  -6.666645      10.09048 
1 1 1 -25 -24 12 o 13.770  6.2063  5.2575     43.786   65.973     86.511   -15.6522   50.768   19.373  8.7285  13.252  6.2210  6.121158       10.71857 
1 1 1 -25 -24 13 o 16.256  6.8287  33.891     45.606   -10.0266   89.979   49.073     52.905   16.484  7.8932  17.858  7.4169  -1.373804      10.83109 
1 1 1 -25 -24 14 o 17.201  7.3831  39.034     55.304   -102.1296  170.871  55.552     58.451   17.768  8.9272  18.585  7.7638  -0.8166523     11.83094 
1 1 1 -25 -24 15 o 29.571  8.1554  160.254    60.413   242.179    113.757  128.072    71.298   28.953  11.265  24.582  9.0642  4.370495       14.45911 
1 1 1 -25 -24 16 o 11.309  5.3441  -25.0199   38.598   -185.2784  160.210  -15.1451   39.769   16.547  8.3546  12.068  5.6125  4.479074       10.06478 
1 1 1 -25 -24 17 o 14.033  6.4769  -6.5534    51.473   18.624     145.404  -10.1606   55.037   19.529  9.5142  14.198  6.6028  5.331954       11.58084 
1 1 1 -25 -24 18 o 28.417  8.9131  158.685    68.397   132.998    152.000  165.206    76.590   22.608  10.660  27.957  9.4757  -5.348999      14.26245 
1 1 1 -25 -24 19 o 29.487  7.8631  152.060    57.290   187.662    118.502  141.201    65.446   25.921  10.954  26.979  8.7480  -1.058422      14.01886 
1 1 1 -25 -24 20 o 17.751  7.3426  43.807     51.548   -21.6566   100.813  66.981     59.982   17.155  8.2510  19.947  8.0441  -2.791735      11.52331 
1 1 1 -25 -24 21 o 32.450  7.9447  182.173    62.052   278.499    123.712  149.792    71.728   31.235  11.851  27.259  9.1703  3.976116       14.98457 
1 1 1 -25 -24 22 o 40.042  6.7657  251.008    63.393   267.373    132.994  246.197    72.113   29.530  11.954  37.805  8.1048  -8.274536      14.44232 
1 1 1 -25 -24 23 o 18.770  8.5904  35.288     87.942   214.595    301.967  18.671     91.926   23.393  11.768  18.219  8.4931  5.174395       14.51268 
1 1 1 -25 -24 24 o 22.227  9.4734  99.466     89.911   -96.7368   309.755  117.518    93.956   ?       ?       23.256  9.7872  0.000000       9.787182 
1 1 1 -25 -24 25 o 21.601  9.4325  89.102     93.457   -49.2821   223.018  118.579    102.931  20.296  10.197  23.104  9.9952  -2.808815      14.27896 
1 1 1 -25 -24 26 o 19.957  8.1087  66.034     61.448   66.197     118.925  65.975     71.770   20.776  9.6769  20.056  8.5032  0.7202473      12.88202 
1 1 1 -25 -24 27 o 38.854  7.7782  253.331    70.770   288.273    136.069  240.374    82.860   30.426  12.170  34.971  9.5126  -4.545053      15.44666 
1 1 1 -25 -24 28 o 25.400  8.7140  124.768    64.783   120.049    122.002  126.621    76.452   22.772  10.303  24.629  9.3230  -1.857321      13.89482 
1 1 1 -25 -24 29 o 34.476  8.2854  210.466    68.449   208.651    128.979  211.178    80.760   26.507  11.323  32.197  9.6077  -5.690310      14.85000 
1 1 1 -25 -24 30 o 20.621  8.4142  75.712     66.519   -105.2902  144.274  124.576    74.962   17.270  8.6058  24.423  9.2349  -7.153149      12.62312 
1 1 1 -25 -24 31 o 34.602  8.7358  222.035    73.355   368.978    144.076  170.615    85.229   33.614  12.781  27.429  9.9409  6.185396       16.19151 
1 1 1 -25 -24 32 o 20.546  8.4202  76.458     66.981   -98.8479   149.934  120.168    74.867   17.462  8.7130  23.865  9.1795  -6.402302      12.65623 
1 1 1 -25 -24 33 o 13.395  6.4746  -48.6007   64.002   64.418     148.027  -74.5864   70.979   20.541  9.9083  13.228  6.4873  7.313029       11.84315 
1 1 1 -25 -24 34 o 16.949  8.0924  -6.5540    93.107   -11.2344   152.552  -3.7756    117.537  18.869  9.3039  18.046  8.7355  0.8231506      12.76208 
1 1 1 -25 -24 35 o 20.521  9.3016  82.288     99.976   -23.8116   192.283  121.598    117.040  19.295  9.6630  22.076  10.029  -2.781258      13.92666 
1 1 1 -25 -24 36 o 20.239  9.3752  78.360     109.295  66.657     207.065  82.880     128.680  20.486  10.224  20.464  9.6963  0.2190018E-01  14.09094 
1 1 1 -25 -24 37 o 22.279  8.9232  107.760    73.259   -93.4499   161.986  159.496    82.139   17.410  8.7401  25.823  9.6877  -8.412773      13.04768 
1 1 1 -25 -24 38 o 23.948  8.7591  122.628    66.386   253.441    144.285  87.498     74.771   25.524  11.403  20.572  8.6980  4.952532       14.34195 
1 1 1 -25 -24 39 o 26.229  8.9331  149.006    68.072   83.840     142.604  168.238    77.468   19.962  9.6529  26.761  9.5037  -6.798132      13.54619 
1 1 1 -25 -24 40 o 17.871  7.8389  50.958     65.189   -23.3414   149.663  68.355     72.420   17.715  8.8174  19.042  8.3096  -1.326954      12.11591 
1 1 1 -25 -24 41 o 16.130  7.8585  -18.8819   99.232   -440.2459  253.988  57.024     107.801  ?       ?       18.629  8.8410  0.000000       8.840993 
1 1 1 -25 -24 42 o 18.104  8.5499  49.651     98.528   -179.6751  262.834  87.147     106.279  ?       ?       19.501  9.1047  0.000000       9.104671 
1 1 1 -25 -24 43 o 20.531  8.5375  95.881     70.219   36.426     165.761  108.884    77.519   18.402  9.1787  21.101  8.8856  -2.698460      12.77505 
1 1 1 -25 -24 44 o 18.817  8.1834  72.527     69.724   87.047     162.886  69.269     77.149   19.080  9.4454  18.572  8.3149  0.5083961      12.58380 
1 1 1 -25 -24 45 o 33.629  9.5436  259.326    81.488   271.339    176.756  256.084    91.829   22.288  10.770  30.649  10.376  -8.360565      14.95467 
1 1 1 -25 -24 46 o 12.201  6.0238  -69.6554   64.678   22.910     160.402  -87.6276   70.678   17.880  8.9352  12.258  6.0943  5.622272       10.81568 
1 1 1 -25 -24 47 o 25.474  10.382  212.749    101.113  211.645    178.461  213.271    122.710  20.919  10.264  23.345  10.467  -2.426403      14.65981 
1 1 1 -25 -24 48 o 19.187  9.6968  114.839    219.314  114.839    219.314  0.0000     0.0000   19.187  9.6968  ?       ?       0.000000       9.696794 
1 1 1 -25 -24 49 o 19.915  9.8019  141.897    166.776  141.897    166.776  0.0000     0.0000   19.915  9.8019  ?       ?       0.000000       9.801907 
1 1 1 -25 -24 50 f 22.245  11.108  407.970    245.723  407.970    245.723  0.0000     0.0000   22.245  11.108  ?       ?       0.000000       11.10802 
1 1 1 -25 -24 51 o 18.353  8.6871  65.073     102.764  173.417    223.572  36.051     115.712  19.851  10.004  17.629  8.5654  2.221487       13.16965 
1 1 1 -25 -24 52 o 25.102  9.3933  164.813    77.127   42.819     217.856  182.294    82.468   18.391  9.3317  25.789  9.7008  -7.398081      13.46060 
1 1 1 -25 -24 53 o 21.519  8.6372  114.113    68.798   -133.9509  173.917  160.132    74.908   ?       ?       24.748  9.2579  0.000000       9.257936 
1 1 1 -25 -24 54 o 14.287  6.7555  1.3024     61.846   11.178     172.128  -0.1616    66.272   17.261  8.7085  14.483  6.8903  2.778888       11.10471 
1 1 1 -25 -24 55 o 14.634  7.2412  -34.3208   95.346   -351.1907  257.215  16.155     102.659  ?       ?       16.071  7.8646  0.000000       7.864619 
1 1 1 -25 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -23 7  o 13.646  5.8909  15.496     35.603   0.0000     0.0000   15.496     35.603   ?       ?       13.646  5.8909  0.000000       5.890890 
1 1 1 -25 -23 8  o 27.202  12.653  441.807    202.312  611.517    332.712  342.244    254.839  24.046  12.129  23.063  11.483  0.9834728      16.70242 
1 1 1 -25 -23 9  o ?       ?       -530.0623  43.476   -850.1680  77.375   -382.3726  52.557   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -23 10 o 24.242  9.2479  131.418    75.594   83.828     181.344  141.427    83.164   20.649  10.174  24.440  9.5972  -3.790644      13.98653 
1 1 1 -25 -23 11 o 41.907  5.4587  258.179    54.189   225.473    109.821  268.705    62.302   28.145  11.036  41.500  6.3923  -13.35550      12.75361 
1 1 1 -25 -23 12 f 43.051  5.7386  275.906    58.452   282.125    108.891  273.388    69.280   32.874  11.296  40.720  7.2791  -7.845924      13.43846 
1 1 1 -25 -23 13 o 18.377  7.2175  52.892     47.041   8.1344     91.617   68.916     54.819   17.539  8.2716  19.989  7.8083  -2.449699      11.37497 
1 1 1 -25 -23 14 o 13.350  6.1785  -11.1446   47.313   119.521    96.951   -51.9900   54.206   23.010  9.8231  12.245  5.9288  10.76483       11.47359 
1 1 1 -25 -23 15 o 30.062  6.9837  146.193    49.968   32.773     116.294  171.872    55.336   19.487  9.2291  32.407  7.2219  -12.91953      11.71889 
1 1 1 -25 -23 16 o 27.095  7.5116  124.639    51.101   247.105    115.799  95.023     56.945   30.260  11.469  22.879  8.1457  7.380402       14.06758 
1 1 1 -25 -23 17 o 21.665  8.1832  83.475     58.819   -2.0458    138.607  102.258    64.958   19.371  9.4031  23.259  8.6369  -3.888453      12.76770 
1 1 1 -25 -23 18 o 23.063  9.0526  103.489    73.964   91.575     134.264  108.680    88.624   22.024  10.266  23.038  9.5865  -1.014063      14.04592 
1 1 1 -25 -23 19 o 32.809  7.5038  177.055    58.439   150.624    107.928  188.018    69.510   25.103  10.523  32.171  8.6968  -7.067904      13.65171 
1 1 1 -25 -23 20 o 24.193  7.8911  101.980    53.220   132.275    105.236  91.571     61.690   24.219  10.284  22.543  8.4077  1.676167       13.28343 
1 1 1 -25 -23 21 f 24.180  7.9835  102.394    54.412   120.253    124.403  98.169     60.506   23.356  10.500  23.304  8.3859  0.5227661E-01  13.43792 
1 1 1 -25 -23 22 o 38.393  6.8802  229.131    61.739   103.753    131.555  264.543    69.916   22.726  10.440  40.684  7.3532  -17.95839      12.76953 
1 1 1 -25 -23 23 o 32.534  11.024  244.482    103.668  188.448    290.890  252.635    110.954  24.024  12.010  32.166  11.379  -8.142078      16.54443 
1 1 1 -25 -23 24 o 20.821  9.0914  68.634     86.807   62.092     225.041  69.777     94.089   22.366  11.077  21.004  9.3064  1.362135       14.46773 
1 1 1 -25 -23 25 o 32.707  10.923  243.193    101.767  589.438    236.225  164.290    112.767  33.964  14.909  25.936  10.805  8.027344       18.41285 
1 1 1 -25 -23 26 o 37.230  7.7853  228.970    68.066   306.689    128.721  198.804    80.195   33.651  12.214  31.777  9.5948  1.873491       15.53169 
1 1 1 -25 -23 27 o 14.278  6.6875  -20.0299   58.115   28.621     111.902  -37.9975   68.005   19.672  9.2350  14.492  6.9182  5.180201       11.53893 
1 1 1 -25 -23 28 o 24.451  8.8910  114.323    68.257   29.816     147.842  137.216    76.949   20.616  9.9342  25.994  9.4420  -5.377979      13.70544 
1 1 1 -25 -23 29 o 44.224  7.4767  315.971    77.370   394.024    152.025  288.688    89.880   35.509  13.208  38.946  9.5779  -3.437317      16.31482 
1 1 1 -25 -23 30 o 28.245  9.1505  156.020    71.618   260.011    153.552  127.109    80.963   27.996  12.160  24.698  9.5332  3.298161       15.45116 
1 1 1 -25 -23 31 o 14.828  7.0021  -22.9144   66.042   296.825    144.141  -107.8699  74.299   30.390  12.391  12.826  6.3547  17.56362       13.92594 
1 1 1 -25 -23 32 o 21.143  8.6499  80.524     70.532   0.6895     154.724  101.466    79.244   19.771  9.6711  22.578  9.1950  -2.807535      13.34458 
1 1 1 -25 -23 33 o 30.197  9.2819  181.755    74.599   129.508    162.998  195.598    83.902   22.715  10.807  30.166  9.9114  -7.451149      14.66361 
1 1 1 -25 -23 34 o 24.675  10.269  149.914    101.693  72.091     160.403  202.215    131.497  21.140  10.226  25.881  11.247  -4.741030      15.20077 
1 1 1 -25 -23 35 o 23.018  9.8616  122.743    98.344   58.716     194.387  144.768    114.011  20.964  10.367  23.686  10.379  -2.721609      14.66958 
1 1 1 -25 -23 36 o 29.071  10.771  218.225    100.922  420.662    196.899  146.091    117.535  29.010  13.110  23.426  10.389  5.583801       16.72770 
1 1 1 -25 -23 37 o 44.517  7.4243  331.119    77.370   369.369    146.826  316.415    91.034   32.115  12.707  39.792  9.5501  -7.676453      15.89573 
1 1 1 -25 -23 38 o 26.050  9.0190  143.471    69.475   169.311    161.850  137.634    76.923   22.654  10.775  24.701  9.3514  -2.047211      14.26708 
1 1 1 -25 -23 39 o 16.410  7.4405  22.508     64.024   -52.3979   151.857  38.701     70.606   17.746  8.8406  17.617  7.9161  0.1290092      11.86683 
1 1 1 -25 -23 40 o 27.747  9.2681  169.710    73.261   389.715    161.371  112.594    82.222   29.610  12.658  22.018  9.2039  7.592445       15.65018 
1 1 1 -25 -23 41 o 12.017  6.0665  -169.9335  84.344   -243.6534  242.272  -159.7665  89.972   ?       ?       12.639  6.3665  0.000000       6.366529 
1 1 1 -25 -23 42 f 15.682  7.6935  -40.8383   100.144  19.124     255.815  -51.6906   108.830  ?       ?       15.830  7.8151  0.000000       7.815131 
1 1 1 -25 -23 43 o 15.187  7.0725  7.1310     63.492   43.556     155.583  -0.1474    69.547   18.724  9.2624  15.228  7.1892  3.496297       11.72508 
1 1 1 -25 -23 44 o 13.814  6.6455  -26.8151   65.500   55.354     157.844  -43.9074   71.991   18.798  9.3044  13.728  6.6895  5.069808       11.45958 
1 1 1 -25 -23 45 o 22.495  8.8718  121.529    71.357   231.473    168.301  97.434     78.789   22.092  10.634  20.314  8.7664  1.778082       13.78149 
1 1 1 -25 -23 46 o 20.951  9.3627  122.227    97.341   206.036    171.302  82.258     118.296  21.335  10.379  19.085  9.1145  2.250353       13.81287 
1 1 1 -25 -23 47 o 16.095  8.1523  -126.9215  161.391  -126.9215  161.391  0.0000     0.0000   16.095  8.1523  ?       ?       0.000000       8.152310 
1 1 1 -25 -23 48 o 18.980  9.3977  78.731     161.592  78.731     161.592  0.0000     0.0000   18.980  9.3977  ?       ?       0.000000       9.397741 
1 1 1 -25 -23 49 o 19.440  8.2886  80.675     68.871   -105.3557  163.154  121.011    75.972   16.417  8.3028  22.013  8.9882  -5.595423      12.23624 
1 1 1 -25 -23 50 o 24.332  10.372  197.833    107.799  379.309    235.012  149.475    121.315  22.548  11.194  21.336  9.8812  1.212347       14.93139 
1 1 1 -25 -23 51 o 16.343  7.7259  17.768     80.793   -139.9874  203.893  47.152     87.996   ?       ?       17.711  8.2740  0.000000       8.274030 
1 1 1 -25 -23 52 o 27.959  9.3371  186.479    74.356   154.194    235.374  190.059    78.369   19.723  9.9745  27.535  9.5763  -7.812527      13.82735 
1 1 1 -25 -23 53 o 11.484  5.6385  -58.2138   54.113   -219.5563  157.375  -36.5803   57.627   ?       ?       12.610  6.1073  0.000000       6.107283 
1 1 1 -25 -23 54 o 16.875  7.5319  47.178     62.784   -162.7186  166.415  82.012     67.794   ?       ?       19.115  8.1885  0.000000       8.188504 
1 1 1 -25 -23 55 o 25.347  10.911  279.975    121.433  328.578    294.974  270.057    133.247  ?       ?       23.574  10.706  0.000000       10.70614 
1 1 1 -25 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -22 7  o 22.375  6.5912  83.029     38.203   0.0000     0.0000   83.029     38.203   ?       ?       22.375  6.5912  0.000000       6.591187 
1 1 1 -25 -22 8  o 36.318  5.6893  197.321    48.489   25.188     97.504   253.879    55.890   18.146  8.5502  41.152  5.7547  -23.00668      10.30646 
1 1 1 -25 -22 9  f 16.387  7.2800  24.028     57.946   -10.7024   78.121   66.509     86.400   15.971  7.5639  19.839  8.8466  -3.867604      11.63935 
1 1 1 -25 -22 10 o 15.398  6.6156  22.509     44.483   117.953    169.801  15.476     46.092   22.014  10.617  14.969  6.5781  7.044665       12.48981 
1 1 1 -25 -22 11 o 20.143  6.9343  66.451     41.041   55.458     83.461   69.956     47.133   19.491  8.6930  20.365  7.3908  -0.8739262     11.41016 
1 1 1 -25 -22 12 o 31.037  6.9618  154.750    51.136   274.046    97.446   109.413    60.072   35.378  10.553  24.201  8.3861  11.17732       13.47923 
1 1 1 -25 -22 13 o 22.986  7.6544  91.331     49.980   195.924    101.602  57.943     57.405   28.317  10.741  19.290  7.8375  9.027143       13.29625 
1 1 1 -25 -22 14 o 38.538  5.7560  217.161    52.174   78.616     118.396  250.550    58.122   21.505  9.8882  41.134  6.0001  -19.62892      11.56624 
1 1 1 -25 -22 15 o 51.727  5.0679  374.533    62.790   425.512    129.502  358.865    71.793   42.643  12.006  49.150  6.1549  -6.506939      13.49204 
1 1 1 -25 -22 16 o 62.699  4.8315  541.748    72.936   472.189    139.344  567.997    85.599   44.421  12.436  62.816  5.6775  -18.39466      13.67039 
1 1 1 -25 -22 17 o 20.413  8.4779  65.526     69.123   69.196     115.801  63.494     86.156   21.458  9.8343  20.622  9.0295  0.8355446      13.35087 
1 1 1 -25 -22 18 o 16.374  7.5002  2.4760     67.231   -6.2134    112.409  7.3154     83.889   18.765  8.9405  17.766  8.2240  0.9988232      12.14769 
1 1 1 -25 -22 19 o 24.925  7.5239  102.928    49.318   131.603    103.689  94.544     56.066   24.726  10.336  23.398  8.1020  1.328100       13.13286 
1 1 1 -25 -22 20 o 18.108  7.2390  44.500     48.114   29.035     104.285  48.683     54.231   19.753  9.1528  18.754  7.6186  0.9991817      11.90869 
1 1 1 -25 -22 21 o 26.169  8.0236  117.115    55.784   25.750     121.497  141.521    62.794   20.286  9.5543  28.333  8.4758  -8.047258      12.77199 
1 1 1 -25 -22 22 o 22.395  8.5446  86.748     64.541   76.901     127.648  90.130     74.807   22.236  10.240  22.550  9.0223  -0.3145313     13.64781 
1 1 1 -25 -22 23 f 13.434  6.5875  -89.2404   73.131   -75.0563   208.882  -91.2220   78.072   20.719  10.329  13.876  6.8048  6.843048       12.36933 
1 1 1 -25 -22 24 o 18.037  8.2441  14.741     80.633   -225.4215  205.905  58.241     87.632   18.792  9.4859  20.606  9.0622  -1.813902      13.11891 
1 1 1 -25 -22 25 o 19.347  8.6931  36.490     85.138   -162.1933  212.949  74.291     92.885   19.709  9.9104  21.599  9.4184  -1.889938      13.67194 
1 1 1 -25 -22 26 o 19.731  8.0674  56.971     61.307   39.056     111.707  64.693     73.339   20.440  9.4716  20.617  8.6601  -0.1769505     12.83390 
1 1 1 -25 -22 27 o 27.194  8.9458  137.017    68.342   167.876    144.625  128.145    77.547   25.593  11.427  25.609  9.4511  -0.1620293E-01 14.82873 
1 1 1 -25 -22 28 o 22.459  8.6773  88.957     67.129   127.049    139.275  77.430     76.616   23.994  10.916  21.496  8.9266  2.498138       14.10088 
1 1 1 -25 -22 29 o 12.635  6.1667  -73.1517   61.896   -174.9617  138.337  -47.6685   69.210   16.429  8.2230  14.339  6.8809  2.090148       10.72218 
1 1 1 -25 -22 30 o 28.547  9.1863  155.678    72.272   184.029    153.728  147.634    81.885   25.648  11.588  26.820  9.7403  -1.172266      15.13786 
1 1 1 -25 -22 31 o 72.905  5.6748  764.061    99.594   744.587    188.414  771.612    117.324  51.603  14.466  70.660  6.9323  -19.05744      16.04081 
1 1 1 -25 -22 32 o 51.944  6.8437  416.895    84.156   572.494    168.832  365.454    97.075   44.382  14.015  44.922  9.2152  -0.5397339     16.77342 
1 1 1 -25 -22 33 o 34.897  8.6821  218.393    73.217   373.914    148.563  168.501    84.145   34.730  13.029  28.081  9.9121  6.649078       16.37072 
1 1 1 -25 -22 34 o 23.077  8.6973  100.880    66.349   42.325     134.090  119.865    76.351   20.430  9.7421  24.268  9.2854  -3.838516      13.45840 
1 1 1 -25 -22 35 o 29.175  10.368  195.968    92.216   36.433     159.209  276.511    113.124  20.577  10.009  32.795  11.500  -12.21758      15.24564 
1 1 1 -25 -22 36 o 16.884  7.9657  -3.6921    85.111   -128.0203  143.903  63.198     105.552  16.904  8.4498  20.298  9.3346  -3.394251      12.59104 
1 1 1 -25 -22 37 f 19.075  8.0310  57.399     63.306   -74.0237   130.488  97.854     72.397   17.155  8.4856  22.166  8.8731  -5.010267      12.27755 
1 1 1 -25 -22 38 o 29.630  9.0631  176.179    71.224   214.109    154.060  165.869    80.323   24.768  11.348  27.263  9.6778  -2.494463      14.91460 
1 1 1 -25 -22 39 o 34.884  9.0608  237.821    77.381   474.005    161.690  167.656    88.129   35.493  13.529  26.283  9.9951  9.210014       16.82040 
1 1 1 -25 -22 40 o 24.847  9.0650  133.724    71.041   99.682     162.245  141.799    79.018   20.899  10.151  24.797  9.4561  -3.897970      13.87325 
1 1 1 -25 -22 41 o 26.056  10.703  201.986    108.516  201.100    270.159  202.156    118.496  21.566  10.884  25.216  10.815  -3.650719      15.34312 
1 1 1 -25 -22 42 o 14.058  6.9750  -92.3052   90.700   92.000     249.416  -120.3923  97.366   20.275  10.255  13.924  6.9587  6.351461       12.39329 
1 1 1 -25 -22 43 o 17.912  7.9086  50.670     67.371   145.949    160.701  30.354     74.207   21.111  10.218  16.996  7.8201  4.114380       12.86699 
1 1 1 -25 -22 44 o 16.705  7.6018  31.577     67.612   -78.9905   160.465  55.443     74.553   17.019  8.5634  18.187  8.1559  -1.167959      11.82584 
1 1 1 -25 -22 45 f 18.193  9.0922  5.4373     166.238  5.4373     166.238  0.0000     0.0000   18.193  9.0922  ?       ?       0.000000       9.092154 
1 1 1 -25 -22 46 f 16.951  8.5349  -70.6059   160.801  -70.6059   160.801  0.0000     0.0000   16.951  8.5349  ?       ?       0.000000       8.534877 
1 1 1 -25 -22 47 o 16.105  8.1332  -116.6074  152.382  -116.6074  152.382  0.0000     0.0000   16.105  8.1332  ?       ?       0.000000       8.133205 
1 1 1 -25 -22 48 o 23.543  9.2113  138.856    76.381   174.385    228.596  134.391    81.039   20.266  10.200  22.775  9.2894  -2.508684      13.79640 
1 1 1 -25 -22 49 o 13.654  6.6284  -38.7103   68.897   10.409     146.947  -52.5506   78.002   17.877  8.8711  13.904  6.8149  3.973647       11.18661 
1 1 1 -25 -22 50 o 18.422  8.4020  61.066     83.184   -136.6569  196.526  104.221    91.814   ?       ?       20.489  9.1292  0.000000       9.129185 
1 1 1 -25 -22 51 o 20.138  9.0159  96.868     90.706   31.359     204.357  112.941    101.224  18.808  9.4889  20.662  9.3632  -1.854010      13.33074 
1 1 1 -25 -22 52 o 15.536  6.5414  32.751     42.006   27.255     51.110   44.189     73.734   15.548  6.8755  17.373  7.9184  -1.824828      10.48683 
1 1 1 -25 -22 53 o 14.687  6.3216  24.897     40.752   25.394     49.287   23.823     72.453   15.237  6.7441  16.231  7.5577  -0.9946136     10.12927 
1 1 1 -25 -22 54 o 12.089  5.6106  -6.9322    39.416   4.9655     46.457   -37.5031   74.469   13.558  6.2194  13.899  6.7794  -0.3409481     9.200050 
1 1 1 -25 -22 55 o 15.525  7.7099  -35.2837   111.813  283.808    248.532  -116.2590  125.199  19.946  10.104  14.657  7.3983  5.289256       12.52332 
1 1 1 -25 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -21 7  o 14.829  6.1100  24.537     35.504   0.0000     0.0000   24.537     35.504   ?       ?       14.829  6.1100  0.000000       6.110007 
1 1 1 -25 -21 8  o 24.322  6.8285  96.839     41.952   40.470     87.051   113.890    47.878   18.805  8.5837  25.935  7.2997  -7.130133      11.26792 
1 1 1 -25 -21 9  o 36.593  9.4243  258.966    84.186   261.070    155.471  258.094    100.137  27.356  12.050  33.360  10.821  -6.004255      16.19558 
1 1 1 -25 -21 10 o 31.440  7.4359  163.385    55.836   113.607    186.629  168.279    58.517   22.600  10.957  31.583  7.7045  -8.983212      13.39454 
1 1 1 -25 -21 11 o 37.742  6.0205  211.326    53.282   141.369    105.745  235.131    61.685   24.663  10.381  38.939  6.7748  -14.27575      12.39640 
1 1 1 -25 -21 12 o 45.328  5.4974  294.093    59.226   274.128    113.035  301.648    69.536   33.566  11.511  44.440  6.6532  -10.87473      13.29518 
1 1 1 -25 -21 13 o 36.322  6.0093  194.230    51.109   202.612    117.555  192.277    56.753   28.188  11.299  35.181  6.8950  -6.992334      13.23642 
1 1 1 -25 -21 14 o 17.827  6.8487  44.670     41.642   54.904     102.656  42.654     45.559   20.712  9.4027  17.774  7.0639  2.937792       11.76053 
1 1 1 -25 -21 15 o 32.548  6.8920  163.928    52.735   -17.5137   112.506  215.016    59.699   18.548  8.8666  37.499  6.8121  -18.95150      11.18123 
1 1 1 -25 -21 16 o 21.947  7.5989  78.533     49.320   38.354     97.578   92.320     57.158   20.004  9.1144  23.232  8.1727  -3.228264      12.24195 
1 1 1 -25 -21 17 o 24.017  9.0115  104.779    71.076   -32.4623   124.794  170.673    86.471   18.866  9.0996  29.025  10.061  -10.15905      13.56575 
1 1 1 -25 -21 18 o 14.635  6.7219  -10.1500   54.504   66.891     121.150  -29.7004   61.030   22.008  10.076  14.363  6.7667  7.645546       12.13760 
1 1 1 -25 -21 19 o 25.689  7.7494  108.908    52.331   347.542    107.211  34.271     59.959   42.551  10.458  18.057  7.7172  24.49388       12.99730 
1 1 1 -25 -21 20 o 20.127  7.7957  60.925     54.285   180.052    109.209  21.832     62.561   28.258  11.026  17.390  7.6523  10.86777       13.42112 
1 1 1 -25 -21 21 o 45.751  6.8923  315.819    74.137   164.827    136.012  379.645    88.429   26.358  11.446  49.118  7.6705  -22.75978      13.77864 
1 1 1 -25 -21 22 o 26.235  8.6598  121.046    64.023   228.693    114.775  72.423     77.139   31.384  11.511  21.548  8.9533  9.835560       14.58322 
1 1 1 -25 -21 23 o 70.947  9.0960  858.793    152.980  -56.1765   289.082  1214.69    180.294  22.818  11.483  84.897  8.8839  -62.07906      14.51852 
1 1 1 -25 -21 24 o 20.574  9.3223  43.069     100.316  -185.2003  223.777  100.479    112.224  20.148  10.135  23.551  10.309  -3.402979      14.45629 
1 1 1 -25 -21 25 o 38.696  11.403  317.803    114.321  241.826    240.139  340.068    129.997  26.820  12.856  37.882  12.332  -11.06120      17.81471 
1 1 1 -25 -21 26 o 30.532  8.7264  163.039    67.882   17.632     144.236  204.409    76.935   21.120  10.080  33.849  9.1492  -12.72916      13.61323 
1 1 1 -25 -21 27 o 15.954  7.2709  -1.0576    62.140   196.022    140.771  -48.7536   69.252   27.566  11.804  14.469  6.9274  13.09715       13.68661 
1 1 1 -25 -21 28 o 16.769  7.5818  7.9630     65.944   155.822    143.676  -31.4982   74.224   25.608  11.415  15.610  7.3870  9.998507       13.59628 
1 1 1 -25 -21 29 o 33.864  8.7678  200.169    72.609   181.014    148.595  206.178    83.221   26.423  11.702  32.880  9.7397  -6.457499      15.22489 
1 1 1 -25 -21 30 o 23.089  8.6468  93.628     65.380   56.922     140.642  103.747    73.844   21.880  10.297  23.768  9.1228  -1.888390      13.75721 
1 1 1 -25 -21 31 o 31.078  8.5054  168.549    66.004   324.789    136.800  121.142    75.355   34.760  12.595  25.149  9.3096  9.611004       15.66208 
1 1 1 -25 -21 32 o 14.255  6.6637  -20.6620   57.213   91.705     121.859  -52.4348   64.799   22.593  10.252  13.716  6.6013  8.876846       12.19343 
1 1 1 -25 -21 33 o 54.253  6.3452  438.704    81.951   598.154    153.131  374.707    97.013   51.159  12.453  46.138  8.9890  5.021065       15.35863 
1 1 1 -25 -21 34 o 46.509  6.9605  336.071    76.134   349.946    141.781  330.449    90.250   34.745  12.787  43.232  8.9001  -8.486729      15.57908 
1 1 1 -25 -21 35 o 38.856  10.563  314.517    102.199  263.285    172.537  342.207    126.846  27.264  12.301  36.295  12.195  -9.031401      17.32154 
1 1 1 -25 -21 36 o 41.925  10.632  366.300    108.313  226.030    187.189  436.902    132.803  25.265  11.887  42.126  12.255  -16.86062      17.07313 
1 1 1 -25 -21 37 o 30.433  8.9609  177.385    70.626   226.390    140.639  160.859    81.671   26.812  11.641  27.268  9.7502  -0.4552402     15.18504 
1 1 1 -25 -21 38 o 34.088  8.7972  216.538    73.253   141.844    157.031  237.312    82.815   22.919  10.815  34.384  9.5733  -11.46516      14.44332 
1 1 1 -25 -21 39 o 29.494  9.1499  175.398    72.303   110.655    160.128  191.978    81.034   21.800  10.463  29.802  9.7380  -8.002510      14.29328 
1 1 1 -25 -21 40 o 14.830  6.9660  -11.9110   63.830   -50.8336   153.146  -3.7281    70.220   18.159  9.0185  15.692  7.3504  2.466174       11.63448 
1 1 1 -25 -21 41 o 23.003  9.8484  132.107    97.963   81.705     279.990  139.138    104.572  20.909  10.606  23.120  10.038  -2.210758      14.60344 
1 1 1 -25 -21 42 f 14.873  7.3239  -70.8014   93.497   20.856     272.066  -83.0755   99.560   20.092  10.218  14.963  7.4033  5.128899       12.61785 
1 1 1 -25 -21 43 o 19.574  7.4496  68.906     48.981   58.123     62.390   86.231     79.081   18.510  7.8904  20.344  8.7810  -1.833567      11.80530 
1 1 1 -25 -21 44 o 24.894  8.7588  133.959    65.652   133.959    65.652   0.0000     0.0000   24.894  8.7588  ?       ?       0.000000       8.758757 
1 1 1 -25 -21 45 o 12.330  5.9419  -37.3700   52.939   -37.3700   52.939   0.0000     0.0000   12.330  5.9419  ?       ?       0.000000       5.941928 
1 1 1 -25 -21 46 o 20.574  8.5686  92.639     70.887   92.639     70.887   0.0000     0.0000   20.574  8.5686  ?       ?       0.000000       8.568563 
1 1 1 -25 -21 47 o 18.912  7.4175  65.736     49.621   62.526     65.293   70.125     76.348   18.485  7.9788  18.958  8.3925  -0.4733067     11.57996 
1 1 1 -25 -21 48 o 19.410  8.4533  77.805     74.613   -244.0617  253.186  108.417    78.081   ?       ?       21.312  8.9430  0.000000       8.943048 
1 1 1 -25 -21 49 o 14.138  6.3861  10.122     46.656   27.225     57.407   -23.1573   80.078   15.961  7.1573  15.016  7.2542  0.9443026      10.19069 
1 1 1 -25 -21 50 o 23.212  8.2534  112.148    58.443   90.185     68.189   172.929    113.436  20.491  8.4580  23.136  10.236  -2.644863      13.27862 
1 1 1 -25 -21 51 o 13.427  6.2744  -8.2143    50.650   -76.1071   57.853   214.637    104.815  11.495  5.6795  26.249  10.617  -14.75309      12.04037 
1 1 1 -25 -21 52 o 15.794  6.7641  32.514     46.236   79.113     56.963   -57.4758   79.160   19.955  7.9087  13.919  6.8310  6.035941       10.45037 
1 1 1 -25 -21 53 o 13.304  6.0744  2.6837     43.630   40.514     53.943   -68.8815   74.193   16.638  7.2167  13.163  6.4898  3.475111       9.705554 
1 1 1 -25 -21 54 o 20.508  7.6149  83.971     50.494   77.404     62.234   96.622     86.381   19.296  8.0317  19.883  8.8576  -0.5876579     11.95678 
1 1 1 -25 -21 55 o 16.573  8.2267  -10.3356   126.781  0.0000     0.0000   -10.3356   126.781  ?       ?       16.573  8.2267  0.000000       8.226660 
1 1 1 -25 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -20 7  o 22.070  6.5444  77.545     37.559   105.063    97.632   72.766     40.690   22.484  9.7306  21.133  6.9003  1.351030       11.92893 
1 1 1 -25 -20 8  o 18.781  6.5541  54.256     36.724   -1.5679    80.704   68.834     41.241   16.928  7.9136  20.655  6.9535  -3.726976      10.53455 
1 1 1 -25 -20 9  o 31.279  9.3712  189.132    76.720   106.128    148.345  219.439    89.639   22.802  10.682  32.334  10.212  -9.532169      14.77803 
1 1 1 -25 -20 10 o 37.659  6.9396  220.252    61.075   167.252    171.691  227.930    65.350   24.739  11.557  37.762  7.3968  -13.02320      13.72176 
1 1 1 -25 -20 11 o 45.608  5.6339  297.670    61.022   406.749    113.640  253.474    72.336   45.645  10.482  39.419  7.8388  6.225914       13.08871 
1 1 1 -25 -20 12 o 18.467  6.8147  49.771     40.316   64.988     104.271  47.096     43.716   21.374  9.6106  18.248  7.0156  3.125320       11.89887 
1 1 1 -25 -20 13 o 21.744  7.0719  74.561     42.755   99.153     99.289   68.964     47.372   23.220  9.9275  20.892  7.4305  2.327887       12.40030 
1 1 1 -25 -20 14 o 37.981  6.2508  211.678    55.601   143.855    112.495  233.603    63.960   25.756  10.766  39.109  6.9970  -13.35241      12.84014 
1 1 1 -25 -20 15 o 33.860  6.6657  172.349    52.814   192.902    102.371  164.894    61.652   29.797  10.880  31.647  8.0189  -1.850374      13.51600 
1 1 1 -25 -20 16 o 38.851  5.9265  216.642    54.100   326.404    109.276  181.006    62.265   40.600  10.875  33.563  7.7951  7.036751       13.37983 
1 1 1 -25 -20 17 o 27.339  9.5527  140.196    78.026   0.0000     0.0000   140.196    78.026   ?       ?       27.339  9.5527  0.000000       9.552701 
1 1 1 -25 -20 18 o 33.248  8.9039  191.186    73.268   142.700    140.172  209.412    85.943   25.683  11.370  33.417  9.8974  -7.734377      15.07454 
1 1 1 -25 -20 19 o 45.703  6.1149  300.294    66.111   349.031    117.740  277.852    79.895   41.430  11.369  41.466  8.2312  -0.3623581E-01 14.03563 
1 1 1 -25 -20 20 o 44.849  6.1226  289.107    64.887   255.854    118.389  303.384    77.576   33.634  11.766  44.372  7.4708  -10.73809      13.93745 
1 1 1 -25 -20 21 o 26.777  8.6953  123.909    64.647   71.055     114.347  148.740    78.375   22.551  10.108  28.312  9.5855  -5.761503      13.93011 
1 1 1 -25 -20 22 o 20.243  8.1044  58.140     60.403   54.697     105.336  59.827     73.730   21.577  9.6841  20.814  8.7095  0.7624893      13.02452 
1 1 1 -25 -20 23 o 22.696  9.9102  78.518     103.151  76.582     206.583  79.160     119.054  24.179  11.673  23.015  10.315  1.163544       15.57776 
1 1 1 -25 -20 24 o 24.795  10.469  116.393    108.070  265.959    214.670  65.620     125.076  28.666  13.229  22.566  10.296  6.099483       16.76392 
1 1 1 -25 -20 25 o 55.247  10.436  557.360    134.769  558.444    257.013  556.949    158.274  35.193  15.497  50.090  12.933  -14.89780      20.18509 
1 1 1 -25 -20 26 o 38.270  8.7122  245.389    79.085   258.915    149.998  240.181    93.073   30.991  12.639  35.523  10.238  -4.532459      16.26527 
1 1 1 -25 -20 27 o 39.807  7.9870  253.299    74.462   191.269    149.543  273.748    85.863   27.618  11.998  39.986  9.0595  -12.36793      15.03398 
1 1 1 -25 -20 28 f 24.562  8.9898  106.535    69.946   -41.0762   131.206  165.142    82.673   19.261  9.3000  29.356  9.8453  -10.09511      13.54332 
1 1 1 -25 -20 29 o 35.652  8.5861  214.284    73.389   10.846     130.356  308.686    88.798   20.609  9.7635  42.735  8.8546  -22.12582      13.18073 
1 1 1 -25 -20 30 o 40.786  7.6575  262.578    72.998   405.503    135.229  203.804    86.718   42.226  12.390  32.470  10.012  9.755569       15.92953 
1 1 1 -25 -20 31 o 32.298  8.5841  179.450    68.424   -71.0938   132.277  270.981    79.952   18.390  8.9844  40.337  8.4400  -21.94630      12.32692 
1 1 1 -25 -20 32 o 29.932  8.7208  158.378    67.205   66.603     133.460  189.556    77.787   22.170  10.301  31.940  9.4041  -9.770948      13.94792 
1 1 1 -25 -20 33 o 23.623  8.6570  99.284     64.893   171.215    134.036  77.262     74.165   26.193  11.369  21.596  8.8566  4.597015       14.41130 
1 1 1 -25 -20 34 o 42.368  7.8304  291.547    77.533   287.485    147.659  293.094    91.102   31.007  12.580  39.892  9.5405  -8.885386      15.78862 
1 1 1 -25 -20 35 o 37.700  11.021  306.548    107.174  330.248    182.866  294.147    132.273  29.812  13.101  32.697  12.288  -2.884813      17.96259 
1 1 1 -25 -20 36 o 34.125  12.066  305.066    124.750  0.0000     0.0000   305.066    124.750  ?       ?       34.125  12.066  0.000000       12.06643 
1 1 1 -25 -20 37 o 24.348  7.7370  102.435    51.389   57.713     67.938   162.240    78.564   19.583  8.2861  28.086  9.5967  -8.502825      12.67896 
1 1 1 -25 -20 38 o 16.674  6.9498  33.456     46.687   -25.4419   58.970   132.374    76.422   13.998  6.6120  25.277  9.3717  -11.27965      11.46939 
1 1 1 -25 -20 39 o 13.134  6.0769  -11.9680   45.720   3.8473     59.474   -34.8177   71.487   15.457  7.0708  14.724  7.0466  0.7331781      9.982553 
1 1 1 -25 -20 40 o 23.961  7.6166  101.364    49.799   131.367    64.358   56.596     78.615   25.890  8.6866  19.323  8.5368  6.567007       12.17920 
1 1 1 -25 -20 41 o 16.949  8.0987  -7.8534    93.649   -174.2046  247.619  19.912     101.163  ?       ?       18.210  8.6194  0.000000       8.619417 
1 1 1 -25 -20 42 o 33.494  12.060  337.856    125.163  452.765    281.556  309.556    139.728  24.753  12.282  29.430  12.123  -4.676929      17.25743 
1 1 1 -25 -20 43 o 24.061  9.0077  126.618    70.940   126.618    70.940   0.0000     0.0000   24.061  9.0077  ?       ?       0.000000       9.007741 
1 1 1 -25 -20 44 o 14.666  6.7126  6.0182     53.705   6.0182     53.705   0.0000     0.0000   14.666  6.7126  ?       ?       0.000000       6.712643 
1 1 1 -25 -20 45 o 24.938  8.9055  136.871    68.112   136.871    68.112   0.0000     0.0000   24.938  8.9055  ?       ?       0.000000       8.905502 
1 1 1 -25 -20 46 f 13.587  6.2928  -3.8334    49.216   -34.7531   59.080   66.284     88.968   13.090  6.3007  18.998  8.6741  -5.907913      10.72101 
1 1 1 -25 -20 47 o 10.660  5.1661  -42.3389   41.399   -28.5819   52.353   -65.2994   67.635   12.640  6.0441  12.827  6.2989  -0.1866798     8.729730 
1 1 1 -25 -20 48 o 18.157  7.1950  57.031     47.137   64.360     59.011   44.111     78.353   18.735  7.8115  17.712  8.1072  1.023045       11.25817 
1 1 1 -25 -20 49 o 21.188  7.7002  86.781     51.187   100.355    63.589   61.797     86.272   21.671  8.4251  18.695  8.5380  2.976053       11.99504 
1 1 1 -25 -20 50 o 14.609  6.5965  12.330     49.731   5.8456     58.111   30.075     96.134   14.857  6.8659  17.638  8.3641  -2.780478      10.82125 
1 1 1 -25 -20 51 o 12.136  5.7861  -27.3896   47.247   -57.4482   54.898   58.471     92.784   11.807  5.7725  18.691  8.6510  -6.883369      10.40005 
1 1 1 -25 -20 52 o 16.416  6.9612  38.019     48.113   54.207     59.751   8.1670     81.139   17.975  7.6935  16.278  7.7091  1.696829       10.89123 
1 1 1 -25 -20 53 o 23.337  7.9155  108.346    53.445   99.865     67.866   122.192    86.717   21.232  8.5586  21.814  9.3008  -0.5817680     12.63940 
1 1 1 -25 -20 54 o 14.465  6.4796  15.973     46.918   -1.2807    57.943   48.827     79.956   14.285  6.6867  17.680  8.1282  -3.394900      10.52517 
1 1 1 -25 -20 55 o 18.066  8.8477  51.748     130.633  0.0000     0.0000   51.748     130.633  ?       ?       18.066  8.8477  0.000000       8.847700 
1 1 1 -25 -20 56 o 20.808  9.9269  189.033    139.550  0.0000     0.0000   189.033    139.550  ?       ?       20.808  9.9269  0.000000       9.926902 
1 1 1 -25 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -19 6  o 26.945  8.0682  127.818    56.880   0.0000     0.0000   127.818    56.880   ?       ?       26.945  8.0682  0.000000       8.068191 
1 1 1 -25 -19 7  o 40.652  4.8375  228.807    46.779   135.660    92.139   261.156    54.298   25.100  10.023  42.911  5.3298  -17.81082      11.35234 
1 1 1 -25 -19 8  o 13.146  5.7262  6.2392     34.253   -87.9052   75.320   30.785     38.459   13.635  6.6860  16.080  6.4565  -2.444401      9.294552 
1 1 1 -25 -19 9  o 18.246  7.9266  34.690     65.277   18.506     136.623  39.477     74.308   20.566  9.8144  19.015  8.3543  1.550114       12.88858 
1 1 1 -25 -19 10 o 23.796  7.2156  90.702     45.284   49.191     85.479   106.897    53.392   20.155  8.9032  25.256  7.8673  -5.100990      11.88118 
1 1 1 -25 -19 11 o 37.792  5.4744  201.386    48.739   260.450    107.716  186.180    54.653   34.663  11.221  35.210  6.6406  -0.5474815     13.03899 
1 1 1 -25 -19 12 o 27.003  6.7650  111.623    44.232   106.248    105.578  112.767    48.713   23.927  10.233  26.658  7.3115  -2.731770      12.57700 
1 1 1 -25 -19 13 o 33.022  6.6819  163.414    51.701   143.266    102.344  170.317    59.907   26.404  10.557  32.702  7.6807  -6.298275      13.05531 
1 1 1 -25 -19 14 f 43.897  5.5219  269.429    57.514   158.284    106.412  315.295    68.358   27.406  10.826  46.784  6.1726  -19.37760      12.46214 
1 1 1 -25 -19 15 o 32.085  6.4938  152.085    48.820   148.524    102.478  153.130    55.526   27.006  10.638  31.320  7.4203  -4.313925      12.97033 
1 1 1 -25 -19 16 o 45.250  7.0094  306.276    74.470   488.057    119.877  192.039    95.031   53.143  9.6521  31.037  10.555  22.10622       14.30270 
1 1 1 -25 -19 17 o 45.337  8.3676  330.199    88.658   335.713    150.082  327.244    109.879  36.106  13.175  41.377  10.821  -5.271561      17.04965 
1 1 1 -25 -19 18 o 35.974  9.5526  228.564    84.783   186.689    136.372  254.946    108.245  28.383  11.858  35.251  11.232  -6.868137      16.33300 
1 1 1 -25 -19 19 o 24.401  7.8824  95.689     53.172   57.710     101.559  110.030    62.409   21.830  9.6708  25.590  8.5542  -3.759619      12.91118 
1 1 1 -25 -19 20 o 65.932  4.8270  583.591    76.685   536.232    128.645  609.695    95.508   55.574  9.9033  65.622  6.0670  -10.04779      11.61395 
1 1 1 -25 -19 21 o 49.978  6.5645  362.869    77.680   440.698    145.809  332.025    91.790   44.730  12.791  45.154  8.6934  -0.4243088     15.46574 
1 1 1 -25 -19 22 o 30.532  8.9142  159.542    70.154   102.715    137.588  179.507    81.552   24.610  11.055  31.444  9.7114  -6.833519      14.71486 
1 1 1 -25 -19 23 o 46.088  11.152  405.771    123.360  240.636    245.263  461.695    142.729  28.175  13.361  46.973  12.357  -18.79827      18.19881 
1 1 1 -25 -19 24 o 59.738  9.7739  614.003    136.771  718.197    265.767  576.467    159.516  41.436  16.853  52.330  12.693  -10.89399      21.09817 
1 1 1 -25 -19 25 o 14.733  7.3000  -145.1627  98.104   -319.9721  201.607  -90.9267   112.296  18.399  9.2987  17.149  8.3560  1.250187       12.50153 
1 1 1 -25 -19 26 o 43.731  7.2544  288.865    74.278   252.772    133.018  305.219    89.538   32.494  12.298  42.902  8.8934  -10.40803      15.17686 
1 1 1 -25 -19 27 o 43.049  7.3993  282.644    74.504   339.037    134.054  257.440    89.619   38.465  12.523  38.113  9.6741  0.3518448      15.82438 
1 1 1 -25 -19 28 o 42.363  7.7072  279.068    76.304   224.428    139.272  302.504    91.211   30.121  12.219  42.210  9.1682  -12.08863      15.27593 
1 1 1 -25 -19 29 o 21.544  8.6051  70.871     67.923   52.183     125.719  78.574     80.717   22.125  10.179  22.347  9.2107  -0.2218876     13.72792 
1 1 1 -25 -19 30 o 45.070  8.0274  322.872    84.568   338.516    170.614  317.776    97.372   33.613  13.563  42.347  9.6866  -8.733948      16.66677 
1 1 1 -25 -19 31 o 24.857  8.8071  107.942    66.491   99.831     122.997  111.291    79.035   23.805  10.589  24.725  9.4503  -0.9203415     14.19312 
1 1 1 -25 -19 32 o 23.868  9.4034  102.408    80.084   227.978    240.513  86.750     84.931   26.736  12.829  22.698  9.4097  4.038464       15.91024 
1 1 1 -25 -19 33 o 47.593  5.4994  318.487    62.337   347.617    82.461   279.641    95.227   47.263  7.4363  38.487  10.078  8.775696       12.52469 
1 1 1 -25 -19 34 o 20.399  7.7328  64.694     52.643   116.263    62.092   -67.1296   99.274   25.673  8.5308  16.414  7.9656  9.258402       11.67160 
1 1 1 -25 -19 35 o 19.929  7.8248  60.592     55.275   76.690     65.684   21.531     102.319  21.486  8.4998  19.438  9.0275  2.048004       12.39930 
1 1 1 -25 -19 36 o 32.303  7.8916  173.961    61.326   178.126    72.607   163.593    114.552  31.037  9.0706  26.173  10.896  4.864914       14.17713 
1 1 1 -25 -19 37 o 56.375  5.0924  443.857    68.906   471.094    91.115   407.469    105.316  55.135  6.9663  47.076  9.5466  8.058937       11.81803 
1 1 1 -25 -19 38 o 42.674  6.1158  270.898    61.516   265.340    79.268   279.313    97.539   38.799  8.6416  36.486  10.470  2.313637       13.57597 
1 1 1 -25 -19 39 o 16.680  7.0924  30.789     50.180   51.221     62.720   -5.5539    83.646   18.869  7.9716  16.878  7.9426  1.991550       11.25312 
1 1 1 -25 -19 40 o 25.335  8.0038  115.573    55.057   71.069     69.550   190.274    90.107   20.320  8.4771  28.790  10.247  -8.470181      13.29901 
1 1 1 -25 -19 41 o 14.041  7.0753  -192.9067  111.731  -335.4996  239.275  -153.1447  126.352  ?       ?       15.547  7.7929  0.000000       7.792881 
1 1 1 -25 -19 42 o 21.669  10.918  124.122    265.734  124.122    265.734  0.0000     0.0000   21.669  10.918  ?       ?       0.000000       10.91809 
1 1 1 -25 -19 43 o 11.388  5.5517  -56.3746   49.756   -56.3746   49.756   0.0000     0.0000   11.388  5.5517  ?       ?       0.000000       5.551716 
1 1 1 -25 -19 44 o 22.472  8.9473  110.206    73.216   110.206    73.216   0.0000     0.0000   22.472  8.9473  ?       ?       0.000000       8.947261 
1 1 1 -25 -19 45 o 13.944  6.4870  -6.1777    53.196   -13.3374   57.537   35.968     139.598  13.981  6.5819  18.977  9.2621  -4.996196      11.36260 
1 1 1 -25 -19 46 o 19.716  7.4430  70.630     48.644   88.375     64.470   47.175     74.121   20.798  8.3565  17.966  8.0882  2.832773       11.62972 
1 1 1 -25 -19 47 o 39.974  6.1697  251.507    57.916   237.882    78.546   267.742    85.738   33.521  9.3198  34.851  9.7541  -1.329838      13.49074 
1 1 1 -25 -19 48 o 29.563  7.7534  160.371    56.305   189.274    74.880   122.768    85.409   29.120  9.3485  22.244  9.3447  6.876333       13.21807 
1 1 1 -25 -19 49 o 14.228  6.4559  7.7249     48.314   -31.3901   62.713   64.836     75.779   13.579  6.5251  18.896  8.3633  -5.317840      10.60764 
1 1 1 -25 -19 50 o 26.389  8.4435  141.315    61.123   188.961    70.952   4.1871     120.369  29.943  9.0213  17.660  8.6151  12.28320       12.47415 
1 1 1 -25 -19 51 o 15.801  6.9674  26.245     52.123   27.948     60.477   21.325     102.774  16.358  7.3401  17.680  8.4580  -1.321972      11.19891 
1 1 1 -25 -19 52 f 14.040  6.3534  7.2778     46.418   -1.5016    55.995   26.565     82.995   14.356  6.6709  17.193  8.0334  -2.837513      10.44208 
1 1 1 -25 -19 53 o 32.240  7.3699  182.775    56.397   193.545    72.859   166.676    89.079   29.804  9.1749  24.853  9.8774  4.951088       13.48116 
1 1 1 -25 -19 54 o 15.691  7.5118  -3.8593    81.385   0.0000     0.0000   -3.8593    81.385   ?       ?       15.691  7.5118  0.000000       7.511841 
1 1 1 -25 -19 55 o 20.046  9.6280  126.705    136.147  0.0000     0.0000   126.705    136.147  ?       ?       20.046  9.6280  0.000000       9.628040 
1 1 1 -25 -19 56 o 13.467  6.8321  -180.1111  116.418  0.0000     0.0000   -180.1111  116.418  ?       ?       13.467  6.8321  0.000000       6.832130 
1 1 1 -25 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -18 6  o 16.106  6.7332  26.581     44.008   0.0000     0.0000   26.581     44.008   ?       ?       16.106  6.7332  0.000000       6.733238 
1 1 1 -25 -18 7  o 10.520  4.8162  -11.5234   27.670   3.1094     78.504   -13.5991   29.568   17.373  8.0115  10.728  4.9360  6.645208       9.409986 
1 1 1 -25 -18 8  o 21.531  7.9295  75.049     54.540   17.040     75.217   139.365    79.200   17.947  8.1074  26.851  9.6015  -8.904495      12.56657 
1 1 1 -25 -18 9  o 41.795  9.0276  300.148    88.874   344.654    178.814  285.547    102.420  32.504  13.579  37.946  10.675  -5.442551      17.27271 
1 1 1 -25 -18 10 o 31.601  5.7546  142.732    42.499   150.637    90.901   140.521    48.077   27.471  10.214  30.563  6.6704  -3.091875      12.19903 
1 1 1 -25 -18 11 o 30.816  6.0750  137.684    43.809   -20.5019   93.932   181.658    49.525   17.838  8.4012  35.623  5.9389  -17.78476      10.28837 
1 1 1 -25 -18 12 o 36.011  6.1981  187.414    52.205   178.122    101.454  190.760    60.883   29.340  10.813  35.195  7.3659  -5.854610      13.08384 
1 1 1 -25 -18 13 o 19.378  7.0688  53.790     43.195   22.173     93.278   62.420     48.735   19.712  8.9542  20.497  7.5036  -0.7849770     11.68250 
1 1 1 -25 -18 14 o 24.851  7.1758  95.368     45.685   190.575    97.968   68.911     51.645   30.899  10.709  21.298  7.7354  9.600439       13.21071 
1 1 1 -25 -18 15 o 65.250  5.1081  577.225    80.227   693.352    222.208  559.818    86.029   47.517  16.140  63.540  5.6386  -16.02306      17.09650 
1 1 1 -25 -18 16 o 47.834  7.2012  341.760    80.989   411.848    118.040  279.419    111.326  47.856  10.458  37.345  11.311  10.51058       15.40478 
1 1 1 -25 -18 17 o 21.668  8.7334  68.048     70.661   82.625     117.240  59.732     88.552   23.656  10.440  21.671  9.3230  1.985460       13.99654 
1 1 1 -25 -18 18 o 36.637  9.4878  231.723    85.011   196.839    138.555  252.783    107.657  29.353  12.079  35.642  11.183  -6.289169      16.46102 
1 1 1 -25 -18 19 o 46.702  5.7833  304.197    64.133   348.909    114.100  283.547    77.541   43.305  10.874  43.041  7.7079  0.2636261      13.32903 
1 1 1 -25 -18 20 o 20.678  8.3393  57.775     64.468   132.011    99.708   4.4475     84.508   26.572  10.485  18.547  8.4627  8.024704       13.47404 
1 1 1 -25 -18 21 o 12.822  6.1469  -53.6285   54.925   -72.3668   123.480  -49.0065   61.326   18.560  8.9768  13.857  6.6024  4.703870       11.14335 
1 1 1 -25 -18 22 o 17.497  7.6056  19.892     60.169   24.937     128.289  18.469     68.127   21.753  10.105  18.062  7.9652  3.690802       12.86659 
1 1 1 -25 -18 23 o 27.576  10.930  149.845    108.802  34.513     224.950  185.064    124.310  24.479  11.905  29.304  11.661  -4.825155      16.66479 
1 1 1 -25 -18 24 o 36.040  11.783  272.510    118.633  123.982    241.137  319.939    136.265  26.296  12.675  37.584  12.640  -11.28753      17.90017 
1 1 1 -25 -18 25 f 49.325  10.823  444.555    125.972  537.036    257.996  415.604    144.349  36.479  15.803  43.638  12.800  -7.159576      20.33629 
1 1 1 -25 -18 26 o 10.928  5.4594  -131.9035  59.694   -106.5543  108.821  -142.8147  71.395   16.614  8.1236  12.127  6.0448  4.487154       10.12577 
1 1 1 -25 -18 27 o 37.095  8.1335  218.251    71.192   115.262    128.313  264.054    85.571   25.261  11.041  39.751  9.0718  -14.49051      14.28992 
1 1 1 -25 -18 28 o 64.501  5.7819  580.381    89.530   761.456    159.046  496.387    108.323  65.648  10.326  56.227  8.1797  9.421047       13.17305 
1 1 1 -25 -18 29 o 27.357  7.4119  116.795    50.421   168.693    64.221   33.400     81.409   32.284  8.1866  19.687  8.6930  12.59659       11.94109 
1 1 1 -25 -18 30 o 26.439  7.4739  110.050    50.078   83.549     64.488   150.305    79.481   22.762  8.5752  28.614  9.6531  -5.851639      12.91188 
1 1 1 -25 -18 31 o 33.035  6.9491  164.709    53.936   186.171    69.866   133.051    84.854   33.387  8.5782  26.611  9.8733  6.776718       13.07934 
1 1 1 -25 -18 32 f 32.188  7.3167  160.660    55.850   151.078    71.399   175.765    89.647   29.169  9.0997  29.907  10.251  -0.7384205     13.70726 
1 1 1 -25 -18 33 o 29.578  7.5906  139.653    54.749   167.892    70.210   95.842     87.451   31.023  8.8775  23.435  9.6147  7.587887       13.08640 
1 1 1 -25 -18 34 o 46.304  6.4325  315.143    70.318   325.519    84.148   291.130    128.019  45.075  7.9862  34.576  12.224  10.49906       14.60139 
1 1 1 -25 -18 35 o 37.247  7.7214  222.142    67.492   264.469    81.399   129.029    120.731  39.350  8.7515  24.754  10.767  14.59657       13.87491 
1 1 1 -25 -18 36 o 23.088  8.0894  90.601     55.972   90.025     64.889   92.274     110.629  22.745  8.5941  22.780  10.092  -0.3497124E-01 13.25576 
1 1 1 -25 -18 37 o 33.366  7.4769  179.332    59.033   168.854    77.780   193.570    90.664   29.421  9.5365  30.262  10.309  -0.8416443     14.04381 
1 1 1 -25 -18 38 o 30.569  7.5422  153.616    55.599   165.235    70.006   133.768    91.497   29.808  8.9566  25.044  9.9924  4.763845       13.41898 
1 1 1 -25 -18 39 o 14.829  6.5431  10.678     46.038   48.875     56.331   -66.1540   79.893   18.599  7.6830  14.581  7.0918  4.017982       10.45576 
1 1 1 -25 -18 40 o 21.340  7.7747  78.456     52.230   26.574     65.179   171.544    87.307   17.307  7.7032  27.790  10.063  -10.48232      12.67291 
1 1 1 -25 -18 41 o 24.013  11.931  266.314    269.137  266.314    269.137  0.0000     0.0000   24.013  11.931  ?       ?       0.000000       11.93096 
1 1 1 -25 -18 42 o 26.469  13.025  533.758    294.143  533.758    294.143  0.0000     0.0000   26.469  13.025  ?       ?       0.000000       13.02530 
1 1 1 -25 -18 43 o 16.386  7.4753  16.202     65.896   16.202     65.896   0.0000     0.0000   16.386  7.4753  ?       ?       0.000000       7.475297 
1 1 1 -25 -18 44 o 15.159  6.8044  13.641     52.023   -4.9059    63.850   50.268     89.727   15.061  7.0400  18.857  8.6476  -3.796402      11.15089 
1 1 1 -25 -18 45 f 12.711  5.9732  -17.9781   47.014   -8.3833    54.280   -46.7920   94.064   13.990  6.5232  15.524  7.5826  -1.534221      10.00239 
1 1 1 -25 -18 46 o 25.736  8.2946  130.785    58.904   166.613    68.341   27.255     116.172  28.271  8.9157  18.355  8.8350  9.916656       12.55180 
1 1 1 -25 -18 47 o 16.483  7.1803  33.880     53.866   30.528     70.597   38.550     83.332   17.007  7.7503  17.830  8.2336  -0.8233032     11.30753 
1 1 1 -25 -18 48 o 26.486  7.9133  132.651    54.762   66.994     69.225   242.453    89.521   19.113  8.2328  31.653  10.228  -12.53997      13.12980 
1 1 1 -25 -18 49 o 13.191  6.0544  -2.6894    44.109   56.816     52.374   -147.8685  81.807   18.293  7.4654  12.221  6.1448  6.071750       9.669084 
1 1 1 -25 -18 50 o 18.777  7.6305  61.934     54.422   86.195     63.101   -8.5081    107.524  20.721  8.2878  17.042  8.2746  3.679625       11.71135 
1 1 1 -25 -18 51 o 13.550  6.2938  -7.1498    49.768   -23.5651   57.293   43.318     100.458  13.482  6.4119  18.481  8.6992  -4.998942      10.80689 
1 1 1 -25 -18 52 o 17.083  7.0521  44.171     47.412   45.275     58.434   42.044     81.115   17.479  7.5463  17.926  8.2211  -0.4469185     11.15943 
1 1 1 -25 -18 53 o 22.552  7.8411  98.727     52.540   59.851     67.475   158.602    83.738   18.538  8.0562  25.000  9.6824  -6.461416      12.59568 
1 1 1 -25 -18 54 o 14.694  7.3963  -139.9530  120.266  0.0000     0.0000   -139.9530  120.266  ?       ?       14.694  7.3963  0.000000       7.396347 
1 1 1 -25 -18 55 o 22.102  10.375  196.465    141.226  0.0000     0.0000   196.465    141.226  ?       ?       22.102  10.375  0.000000       10.37550 
1 1 1 -25 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -17 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -17 6  o 22.387  5.9536  74.177     32.900   110.999    82.461   67.206     35.880   24.316  9.5540  21.057  6.4312  3.258736       11.51694 
1 1 1 -25 -17 7  o 14.375  5.8705  19.133     32.415   5.5137     69.939   22.859     36.582   17.064  7.7523  15.243  6.2320  1.821780       9.946610 
1 1 1 -25 -17 8  f 18.212  7.9409  28.288     66.018   -96.5554   139.935  64.031     74.875   18.487  9.0748  21.093  8.7973  -2.605944      12.63901 
1 1 1 -25 -17 9  o 44.972  5.3004  279.152    56.727   914.402    180.058  209.152    59.770   69.972  10.966  37.442  6.8307  32.52991       12.91910 
1 1 1 -25 -17 10 o 24.905  6.5092  92.571     39.773   13.078     84.901   114.921    45.018   18.783  8.5363  27.622  6.7697  -8.838467      10.89478 
1 1 1 -25 -17 11 o 19.718  7.0294  56.260     42.420   116.571    83.530   35.300     49.243   25.504  9.7231  17.756  7.2418  7.747374       12.12364 
1 1 1 -25 -17 12 o 16.191  6.4773  28.121     38.553   -5.5855    89.051   35.896     42.769   18.347  8.4860  17.384  6.8646  0.9631138      10.91488 
1 1 1 -25 -17 13 o 10.359  5.0054  -49.3467   38.167   -43.7782   180.337  -49.6079   39.051   21.821  10.623  10.505  5.0728  11.31516       11.77183 
1 1 1 -25 -17 14 o 23.545  7.4954  85.663     48.214   19.666     101.021  105.130    54.865   20.299  9.2584  25.672  7.9716  -5.373890      12.21731 
1 1 1 -25 -17 15 o 19.975  7.6756  54.824     52.312   9.6239     161.630  60.112     55.287   22.571  10.745  20.614  7.8981  1.956980       13.33518 
1 1 1 -25 -17 16 o 27.994  9.5307  137.522    77.486   92.539     125.715  165.081    98.399   24.520  10.816  29.296  10.672  -4.776262      15.19444 
1 1 1 -25 -17 17 o 47.927  8.2342  357.412    92.304   492.551    145.858  267.138    119.212  50.018  12.141  35.910  11.815  14.10764       16.94090 
1 1 1 -25 -17 18 o 38.989  10.231  270.474    97.999   148.658    174.632  326.469    118.399  27.151  12.301  41.091  11.449  -13.93992      16.80476 
1 1 1 -25 -17 19 o 27.334  7.9759  118.180    56.177   49.155     101.548  148.620    67.435   21.864  9.6788  30.006  8.7338  -8.141678      13.03681 
1 1 1 -25 -17 20 o 34.349  6.9351  173.884    55.809   163.428    102.951  178.236    66.415   29.081  10.858  33.552  8.2222  -4.470991      13.62021 
1 1 1 -25 -17 21 o 30.991  7.9042  150.144    59.624   120.229    113.812  161.460    69.998   25.976  10.841  31.228  8.8393  -5.251873      13.98790 
1 1 1 -25 -17 22 o 52.952  5.5742  384.775    70.544   280.650    131.377  426.959    83.621   35.793  12.402  54.821  6.4073  -19.02833      13.95911 
1 1 1 -25 -17 23 o 42.237  10.146  311.863    102.678  468.755    239.726  276.615    113.628  36.407  15.492  37.469  11.445  -1.062099      19.26116 
1 1 1 -25 -17 24 o 56.461  9.2564  520.641    122.413  862.830    249.198  411.807    140.538  54.110  17.020  44.662  12.484  9.448139       21.10736 
1 1 1 -25 -17 25 o 34.069  11.763  242.637    118.146  237.336    230.474  244.527    137.601  29.296  13.586  32.649  12.472  -3.352804      18.44231 
1 1 1 -25 -17 26 o 30.532  7.0729  139.756    51.370   105.457    67.681   186.369    78.899   25.225  8.8912  32.892  9.4104  -7.666817      12.94635 
1 1 1 -25 -17 27 o 10.890  5.2046  -40.9320   38.713   19.410     47.263   -163.9565  67.486   16.274  6.9000  11.214  5.6314  5.059175       8.906347 
1 1 1 -25 -17 28 o 27.227  7.2569  113.454    48.812   153.915    61.841   46.588     79.500   31.043  8.1180  20.566  8.8403  10.47707       12.00220 
1 1 1 -25 -17 29 o 13.671  6.1921  -9.0364    44.208   -11.1937   54.300   -4.7955    76.134   14.859  6.7813  17.420  7.9801  -2.560913      10.47229 
1 1 1 -25 -17 30 o 17.323  7.0076  33.169     45.673   66.911     56.199   -32.4707   78.383   21.208  8.0017  16.340  7.6892  4.868296       11.09731 
1 1 1 -25 -17 31 o 19.799  7.4594  55.659     48.798   91.812     61.704   -4.7102    79.734   23.707  8.4751  17.628  8.1089  6.078827       11.72955 
1 1 1 -25 -17 32 o 21.955  7.7354  75.003     51.224   96.399     64.851   39.510     83.527   24.021  8.6767  20.089  8.8409  3.931807       12.38731 
1 1 1 -25 -17 33 f 42.615  6.0856  260.056    61.139   266.629    80.748   251.225    93.595   40.358  8.5137  36.735  10.159  3.623310       13.25485 
1 1 1 -25 -17 34 o 22.681  8.2166  83.976     58.217   80.407     68.862   92.915     108.997  22.276  8.7377  23.440  10.212  -1.163527      13.44022 
1 1 1 -25 -17 35 o 22.379  8.2684  82.370     59.386   119.930    67.922   -39.5343   122.365  25.918  8.9208  18.792  9.0508  7.125925       12.70814 
1 1 1 -25 -17 36 o 20.484  8.1840  63.602     61.456   56.870     68.396   91.811     140.015  20.127  8.4025  23.252  10.715  -3.125051      13.61628 
1 1 1 -25 -17 37 o 18.701  7.5411  47.916     52.709   87.395     61.793   -57.5378   100.992  22.572  8.4155  16.759  8.1088  5.813227       11.68644 
1 1 1 -25 -17 38 o 11.494  5.6079  -66.3539   51.052   -5.4344    69.183   -139.1861  75.645   16.166  7.4779  12.381  6.1793  3.784894       9.700666 
1 1 1 -25 -17 39 o 13.376  6.3490  -33.9766   55.644   -82.1189   75.953   21.797     81.752   13.812  6.7604  18.218  8.3167  -4.405634      10.71777 
1 1 1 -25 -17 40 o 26.526  9.9529  153.007    86.703   153.007    86.703   0.0000     0.0000   26.526  9.9529  ?       ?       0.000000       9.952938 
1 1 1 -25 -17 41 o 19.831  10.036  -128.0720  241.147  -128.0720  241.147  0.0000     0.0000   19.831  10.036  ?       ?       0.000000       10.03643 
1 1 1 -25 -17 42 f 36.207  12.784  392.975    139.971  377.878    282.736  397.876    161.098  25.115  12.435  32.946  13.219  -7.831251      18.14869 
1 1 1 -25 -17 43 f 51.378  6.1983  402.578    75.709   408.080    104.023  396.380    110.398  45.556  9.7077  42.818  10.666  2.738079       14.42216 
1 1 1 -25 -17 44 o 22.692  8.3510  100.455    60.478   55.829     82.730   151.677    88.633   19.113  8.5801  25.033  9.8830  -5.919857      13.08787 
1 1 1 -25 -17 45 o 25.411  9.1245  140.132    71.596   143.413    90.426   134.618    117.213  24.038  9.8096  22.412  10.123  1.625704       14.09625 
1 1 1 -25 -17 46 o 17.945  7.6739  49.301     59.348   25.254     84.980   72.195     82.920   17.483  8.1552  19.691  8.7301  -2.208481      11.94661 
1 1 1 -25 -17 47 o 10.997  5.4413  -80.9452   53.793   -111.4528  70.040   -37.0685   83.996   11.966  5.9680  15.132  7.3397  -3.166471      9.459867 
1 1 1 -25 -17 48 o 28.653  8.5799  163.624    64.323   70.824     85.602   283.978    97.485   19.493  8.7408  34.029  10.636  -14.53572      13.76657 
1 1 1 -25 -17 49 o 17.821  7.6900  48.440     60.618   84.238     83.812   9.1735     87.778   20.226  8.8796  16.866  7.9963  3.360321       11.94942 
1 1 1 -25 -17 50 o 13.825  6.6434  -33.2908   65.002   -12.4713   76.371   -88.0214   123.825  15.479  7.3732  16.054  7.9955  -0.5757074     10.87618 
1 1 1 -25 -17 51 o 20.187  8.4968  79.969     70.833   56.939     83.398   139.589    134.187  18.846  8.5232  21.932  10.236  -3.085573      13.32024 
1 1 1 -25 -17 52 o 15.259  6.9709  10.635     57.561   81.238     77.305   -77.2166   86.232   20.140  8.6875  14.167  6.9871  5.973594       11.14867 
1 1 1 -25 -17 53 o 14.276  7.0488  -76.5852   88.617   0.0000     0.0000   -76.5852   88.617   ?       ?       14.276  7.0488  0.000000       7.048804 
1 1 1 -25 -17 54 o 16.906  8.1782  1.1420     102.611  0.0000     0.0000   1.1420     102.611  ?       ?       16.906  8.1782  0.000000       8.178187 
1 1 1 -25 -17 55 o 13.672  6.8544  -120.6629  97.957   225.233    333.477  -153.3273  102.478  ?       ?       13.395  6.7530  0.000000       6.752997 
1 1 1 -25 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -16 5  o 6.4355  3.2031  -46.6272   19.743   0.0000     0.0000   -46.6272   19.743   ?       ?       6.4355  3.2031  0.000000       3.203051 
1 1 1 -25 -16 6  o 11.358  4.9832  -0.3498    26.359   -9.0475    56.933   2.0233     29.738   15.109  6.9139  12.204  5.3252  2.905120       8.726939 
1 1 1 -25 -16 7  o 39.436  4.9835  212.025    46.621   406.638    90.146   140.967    54.471   51.676  7.4008  29.962  7.5078  21.71339       10.54220 
1 1 1 -25 -16 8  o 37.825  8.5129  233.355    76.244   111.459    169.760  264.156    85.335   25.133  11.657  39.605  9.0745  -14.47200      14.77271 
1 1 1 -25 -16 9  o 26.361  6.6906  103.856    42.868   -10.6625   157.949  112.962    44.539   21.670  10.398  27.494  6.7306  -5.824396      12.38610 
1 1 1 -25 -16 10 o 53.935  4.4659  384.405    57.919   499.255    112.073  342.553    67.654   56.096  8.5002  49.638  5.7219  6.458389       10.24661 
1 1 1 -25 -16 11 o 56.434  4.4947  420.489    61.036   429.673    112.218  416.630    72.736   50.755  9.4602  55.074  5.5172  -4.319489      10.95152 
1 1 1 -25 -16 12 o 28.656  6.7158  121.248    45.882   28.817     96.560   148.202    52.145   20.566  9.2480  31.542  6.9963  -10.97607      11.59628 
1 1 1 -25 -16 13 o 68.855  5.6474  651.082    93.522   0.0000     0.0000   651.082    93.522   ?       ?       68.855  5.6474  0.000000       5.647450 
1 1 1 -25 -16 14 o 73.611  5.1476  728.510    91.363   1166.09    246.947  659.117    98.341   73.037  14.446  68.914  5.9392  4.123077       15.61963 
1 1 1 -25 -16 15 o 59.027  4.8053  462.998    68.227   189.099    123.196  584.166    81.940   30.148  11.725  65.899  5.1659  -35.75084      12.81284 
1 1 1 -25 -16 16 o 19.215  8.3122  30.031     71.178   18.691     111.615  37.803     92.405   21.090  9.6618  20.965  9.2592  0.1251984      13.38223 
1 1 1 -25 -16 17 o 24.723  9.6392  99.427     83.419   46.853     156.699  120.219    98.543   23.864  11.113  26.224  10.399  -2.359606      15.21952 
1 1 1 -25 -16 18 o 21.317  7.8843  65.550     54.025   53.046     161.093  67.135     57.346   24.203  11.269  21.557  8.0933  2.645483       13.87442 
1 1 1 -25 -16 19 o 41.480  5.9302  239.466    57.988   220.620    107.607  247.179    68.839   33.686  11.232  40.993  7.1827  -7.306465      13.33233 
1 1 1 -25 -16 20 o 34.955  6.9584  179.001    56.944   -52.6155   99.746   290.984    69.357   17.719  8.4365  45.218  6.5090  -27.49864      10.65559 
1 1 1 -25 -16 21 o 38.820  6.9584  219.740    63.135   374.992    120.330  160.767    74.163   45.492  11.018  30.948  9.2005  14.54315       14.35438 
1 1 1 -25 -16 22 o 44.534  6.4212  281.325    67.380   303.887    128.165  272.707    79.211   38.370  12.221  42.203  8.0286  -3.833183      14.62252 
1 1 1 -25 -16 23 o 16.281  7.6491  -36.3439   77.027   -205.4624  199.897  -6.8542    83.473   20.344  10.136  18.172  8.3362  2.172485       13.12397 
1 1 1 -25 -16 24 o 15.585  7.3797  -46.2203   74.294   -65.2359   205.949  -43.3755   79.657   22.785  11.148  16.248  7.6778  6.537203       13.53616 
1 1 1 -25 -16 25 f 26.608  8.9920  117.503    68.968   327.762    223.108  95.288     72.520   32.705  14.419  24.357  9.1097  8.347969       17.05525 
1 1 1 -25 -16 26 f 29.437  6.9275  128.437    48.657   111.936    64.374   150.426    74.312   26.180  8.6856  29.718  9.2855  -3.537724      12.71455 
1 1 1 -25 -16 27 o 77.923  4.4836  797.041    84.415   892.769    119.532  701.795    119.230  79.765  6.2253  69.136  7.2137  10.62883       9.528470 
1 1 1 -25 -16 28 o 63.951  4.7151  542.313    72.649   520.151    98.546   568.696    107.522  59.839  6.9145  62.051  7.2798  -2.211575      10.04021 
1 1 1 -25 -16 29 o 33.402  6.8545  164.426    53.692   152.037    69.397   182.902    84.747   30.144  8.8846  31.942  9.9055  -1.798285      13.30621 
1 1 1 -25 -16 30 o 60.942  5.0194  499.584    73.562   411.325    96.653   621.094    113.408  51.710  7.9584  64.536  7.3748  -12.82511      10.85007 
1 1 1 -25 -16 31 o 57.222  5.2375  445.360    71.913   483.190    93.076   389.328    113.275  57.605  6.7895  46.978  10.228  10.62711       12.27609 
1 1 1 -25 -16 32 o 36.219  7.4396  200.403    63.193   200.360    79.475   200.477    104.205  33.985  9.3463  31.380  11.035  2.605104       14.46139 
1 1 1 -25 -16 33 o 54.563  5.5823  413.217    72.865   333.843    94.517   529.491    114.397  44.835  9.0009  57.562  8.4415  -12.72659      12.33999 
1 1 1 -25 -16 34 o 66.247  6.5472  638.586    103.863  423.385    121.104  1237.13    201.968  47.622  10.737  83.347  10.200  -35.72521      14.80940 
1 1 1 -25 -16 35 o 17.395  7.4805  25.836     56.969   62.834     62.167   -168.0697  142.322  20.671  8.2400  17.285  8.6025  3.385866       11.91222 
1 1 1 -25 -16 36 f 15.361  7.7246  -232.1748  129.561  0.0000     0.0000   -232.1748  129.561  ?       ?       15.361  7.7246  0.000000       7.724608 
1 1 1 -25 -16 37 o 15.873  6.9186  15.602     50.074   7.3415     61.144   32.424     87.258   16.337  7.3514  19.429  8.7588  -3.092043      11.43502 
1 1 1 -25 -16 38 o 19.736  8.0650  56.531     61.224   53.338     84.074   60.137     89.335   20.252  8.8923  20.786  9.1455  -0.5337658     12.75595 
1 1 1 -25 -16 39 o 19.095  8.4612  40.016     77.790   40.016     77.790   0.0000     0.0000   19.095  8.4612  ?       ?       0.000000       8.461207 
1 1 1 -25 -16 40 o 22.860  11.449  82.517     269.960  82.517     269.960  0.0000     0.0000   22.860  11.449  ?       ?       0.000000       11.44870 
1 1 1 -25 -16 41 o 35.830  12.638  363.200    136.776  782.135    276.526  227.511    157.375  34.547  15.581  26.471  11.862  8.075363       19.58273 
1 1 1 -25 -16 42 o 17.768  8.5811  -21.6767   111.869  97.666     253.324  -50.5887   124.686  22.216  11.121  17.620  8.6321  4.596682       14.07793 
1 1 1 -25 -16 43 o 36.579  7.9414  230.635    68.463   196.590    97.542   263.692    96.116   28.177  10.560  34.216  10.539  -6.038877      14.91905 
1 1 1 -25 -16 44 o 17.660  7.5709  42.071     58.032   78.819     78.988   -1.0277    85.541   20.524  8.8168  16.795  7.9423  3.729567       11.86659 
1 1 1 -25 -16 45 o 17.573  7.7285  39.442     63.737   36.615     78.426   44.942     109.386  17.962  8.1790  19.147  9.0322  -1.184603      12.18513 
1 1 1 -25 -16 46 o 26.838  8.6599  144.822    64.193   129.688    92.242   159.036    89.390   23.007  9.6906  25.209  9.9338  -2.202469      13.87764 
1 1 1 -25 -16 47 o 24.825  8.6651  127.325    64.192   22.129     83.853   276.246    99.769   17.323  8.0876  33.175  10.804  -15.85148      13.49544 
1 1 1 -25 -16 48 o 31.232  8.7857  193.538    69.376   105.657    95.201   293.054    101.308  21.345  9.4141  34.238  10.861  -12.89296      14.37345 
1 1 1 -25 -16 49 o 22.122  8.4028  99.180     62.240   24.995     83.357   192.649    93.567   17.392  8.1008  27.098  10.300  -9.706285      13.10420 
1 1 1 -25 -16 50 o 16.476  7.5698  18.539     69.194   8.8655     81.226   44.131     132.111  16.657  7.8352  19.255  9.3058  -2.597624      12.16507 
1 1 1 -25 -16 51 o 13.783  6.6487  -40.1375   66.667   -36.4823   75.951   -52.4075   139.156  14.672  7.0820  17.404  8.6356  -2.732224      11.16815 
1 1 1 -25 -16 52 o 19.143  8.6609  61.144     86.219   0.0000     0.0000   61.144     86.219   ?       ?       19.143  8.6609  0.000000       8.660923 
1 1 1 -25 -16 53 o 15.967  7.6278  -8.8363    82.975   0.0000     0.0000   -8.8363    82.975   ?       ?       15.967  7.6278  0.000000       7.627777 
1 1 1 -25 -16 54 o 17.482  8.4218  14.607     106.089  371.180    338.813  -24.1534   111.706  ?       ?       16.649  8.1596  0.000000       8.159583 
1 1 1 -25 -16 55 o 31.870  11.857  346.621    122.534  472.425    396.507  333.338    128.840  ?       ?       29.772  11.864  0.000000       11.86428 
1 1 1 -25 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -15 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -15 5  o 17.045  6.6509  35.674     39.739   0.0000     0.0000   35.674     39.739   ?       ?       17.045  6.6509  0.000000       6.650946 
1 1 1 -25 -15 6  o 23.262  6.1911  79.391     35.560   163.584    74.879   54.874     40.408   30.471  9.2872  19.495  6.8702  10.97660       11.55211 
1 1 1 -25 -15 7  o 36.478  7.2689  201.059    62.079   88.538     90.635   300.495    85.203   23.518  9.7328  43.433  8.3885  -19.91510      12.84892 
1 1 1 -25 -15 8  o 29.021  9.3505  147.055    74.860   293.735    161.518  106.925    84.482   33.548  13.311  24.960  9.7092  8.587715       16.47549 
1 1 1 -25 -15 9  o 23.552  6.6257  82.111     39.455   135.990    88.829   68.869     44.037   27.339  10.110  21.504  7.1857  5.835138       12.40365 
1 1 1 -25 -15 10 o 34.737  5.6157  167.300    45.718   170.442    97.903   166.424    51.702   29.897  10.677  33.940  6.5151  -4.042877      12.50762 
1 1 1 -25 -15 11 o 30.203  6.8239  134.342    48.830   212.941    92.121   103.630    57.585   34.344  10.264  25.532  8.1983  8.811209       13.13640 
1 1 1 -25 -15 12 o 44.288  6.6980  282.005    69.729   0.0000     0.0000   282.005    69.729   ?       ?       44.288  6.6980  0.000000       6.698016 
1 1 1 -25 -15 13 o 19.738  7.4050  52.690     47.990   83.159     94.406   42.073     55.728   23.756  9.8905  19.105  7.7364  4.650763       12.55681 
1 1 1 -25 -15 14 o 57.797  4.9671  445.249    68.982   387.292    126.508  469.773    82.292   45.663  11.441  58.340  5.8942  -12.67705      12.87036 
1 1 1 -25 -15 15 f 66.317  4.8203  582.118    77.034   621.221    137.723  564.315    92.930   61.861  9.4774  63.763  6.0802  -1.902740      11.26011 
1 1 1 -25 -15 16 f 23.615  9.0420  85.278     72.432   101.148    153.420  80.726     82.166   25.883  11.646  23.418  9.4251  2.464869       14.98212 
1 1 1 -25 -15 17 o 39.491  8.8940  249.458    83.174   207.044    144.345  270.541    101.768  30.890  12.471  39.090  10.505  -8.199286      16.30577 
1 1 1 -25 -15 18 o 32.773  7.0914  158.126    54.753   49.655     101.585  202.541    65.004   22.223  9.7657  36.814  7.5310  -14.59096      12.33226 
1 1 1 -25 -15 19 o 14.957  6.6150  0.7733     47.323   -157.4558  93.153   55.813     54.941   14.310  7.0946  20.439  7.8632  -6.129039      10.59077 
1 1 1 -25 -15 20 o 16.420  7.0732  14.076     51.103   -74.3050   93.715   51.478     60.965   16.586  7.9717  20.329  8.1408  -3.742971      11.39390 
1 1 1 -25 -15 21 o 9.9833  4.8211  -47.4374   35.290   -30.6863   45.895   -71.6670   55.197   12.728  5.9556  12.262  5.9479  0.4662075      8.417078 
1 1 1 -25 -15 22 o 36.911  6.6511  195.365    57.377   175.633    68.598   241.318    104.687  33.323  8.4669  36.067  10.979  -2.744175      13.86431 
1 1 1 -25 -15 23 o 20.239  8.7910  34.594     80.268   94.920     208.615  24.111     86.963   26.514  12.497  20.074  8.9183  6.439194       15.35305 
1 1 1 -25 -15 24 f 15.997  7.5291  -40.0935   75.216   -187.7969  219.205  -20.3823   80.078   21.520  10.704  17.331  8.0269  4.188683       13.37972 
1 1 1 -25 -15 25 o 72.988  4.3505  693.919    76.696   698.759    109.202  689.208    107.741  70.431  6.4621  70.018  6.4130  0.4126358      9.104130 
1 1 1 -25 -15 26 o 52.744  5.0376  372.107    63.688   348.904    88.096   397.510    92.178   48.159  7.8063  51.726  7.5682  -3.567757      10.87274 
1 1 1 -25 -15 27 o 16.144  6.8762  16.463     47.312   23.307     61.103   6.2157     74.764   18.011  7.7464  18.115  8.1423  -0.1038704     11.23849 
1 1 1 -25 -15 28 o 34.679  7.0529  177.358    57.326   118.614    73.498   268.600    91.599   26.562  9.2719  39.995  9.5674  -13.43309      13.32308 
1 1 1 -25 -15 29 f 33.083  7.1517  163.005    55.735   177.226    71.827   141.484    88.358   32.877  8.8208  28.026  10.127  4.851265       13.43008 
1 1 1 -25 -15 30 o 40.124  6.1893  227.814    58.318   291.558    76.814   141.074    89.605   44.164  7.4322  27.848  10.178  16.31561       12.60241 
1 1 1 -25 -15 31 o 35.998  6.7229  189.124    56.563   264.907    73.612   79.873     88.384   41.904  7.5160  23.128  9.5946  18.77600       12.18790 
1 1 1 -25 -15 32 o 13.404  6.2688  -29.1095   50.742   -58.9776   62.477   28.767     86.970   13.599  6.5289  19.941  8.8852  -6.342192      11.02601 
1 1 1 -25 -15 33 o 47.550  5.9004  317.535    66.613   277.722    85.819   377.876    105.652  41.109  8.8645  47.168  9.5588  -6.059307      13.03651 
1 1 1 -25 -15 34 o 24.098  8.7042  96.672     65.261   103.031    72.199   68.275     152.571  24.554  9.1080  23.596  10.980  0.9586029      14.26608 
1 1 1 -25 -15 35 o 25.981  8.8532  116.905    66.860   131.341    73.906   51.835     156.906  27.040  9.3056  22.971  10.831  4.068916       14.27923 
1 1 1 -25 -15 36 o 21.812  10.412  20.729     154.024  0.0000     0.0000   20.729     154.024  ?       ?       21.812  10.412  0.000000       10.41222 
1 1 1 -25 -15 37 o 38.969  7.7731  241.632    70.921   268.570    97.377   211.200    103.498  37.216  10.388  31.221  10.996  5.995155       15.12660 
1 1 1 -25 -15 38 o 41.626  9.8626  319.900    98.086   319.900    98.086   0.0000     0.0000   41.626  9.8626  ?       ?       0.000000       9.862556 
1 1 1 -25 -15 39 o 16.010  7.5363  -21.4764   75.398   -21.4764   75.398   0.0000     0.0000   16.010  7.5363  ?       ?       0.000000       7.536314 
1 1 1 -25 -15 40 o 19.625  9.2985  15.077     118.330  80.415     245.778  -4.6372    135.007  22.969  11.411  19.650  9.4747  3.318851       14.83147 
1 1 1 -25 -15 41 o 52.717  11.873  612.078    148.218  602.687    295.733  615.228    171.283  29.573  14.200  46.652  14.008  -17.07896      19.94662 
1 1 1 -25 -15 42 o 33.935  11.245  276.720    107.923  37.780     274.119  320.551    117.405  21.871  11.029  35.861  11.722  -13.98928      16.09439 
1 1 1 -25 -15 43 o 22.644  8.3704  95.995     60.874   7.8501     90.224   169.650    82.475   17.619  8.2779  27.833  9.8144  -10.21437      12.83926 
1 1 1 -25 -15 44 o 24.970  8.3281  118.305    59.156   232.667    86.560   18.080     81.033   32.881  9.9773  17.426  8.0723  15.45461       12.83389 
1 1 1 -25 -15 45 o 33.719  7.7155  196.808    61.759   230.186    90.703   167.958    84.327   31.491  10.303  26.823  9.8626  4.667095       14.26284 
1 1 1 -25 -15 46 o 10.099  4.9786  -68.2054   43.618   -90.4174   73.795   -56.2787   54.075   12.950  6.4011  11.934  5.8111  1.016327       8.645390 
1 1 1 -25 -15 47 o 18.612  7.8668  56.582     61.127   62.432     87.712   51.058     85.236   19.342  8.7448  18.749  8.5331  0.5936203      12.21821 
1 1 1 -25 -15 48 o 30.739  8.4515  180.290    64.995   116.170    90.393   248.926    93.522   22.200  9.4814  32.115  10.460  -9.914751      14.11762 
1 1 1 -25 -15 49 o 16.238  7.2551  24.329     58.415   94.260     80.153   -54.8889   85.310   21.120  8.9718  14.789  7.2228  6.331191       11.51788 
1 1 1 -25 -15 50 o 22.341  9.2320  112.164    81.374   134.822    95.365   51.488     156.058  23.177  9.8127  19.840  9.7064  3.336973       13.80229 
1 1 1 -25 -15 51 o 19.677  9.5149  50.862     138.557  0.0000     0.0000   50.862     138.557  ?       ?       19.677  9.5149  0.000000       9.514949 
1 1 1 -25 -15 52 o 14.456  7.0767  -61.9690   83.335   0.0000     0.0000   -61.9690   83.335   ?       ?       14.456  7.0767  0.000000       7.076667 
1 1 1 -25 -15 53 o 29.608  8.3190  167.650    62.238   137.619    86.957   199.194    89.120   23.577  9.6203  28.161  10.172  -4.583586      14.00041 
1 1 1 -25 -15 54 o 15.851  7.7702  -41.2569   101.480  6.2340     365.943  -45.2132   105.622  ?       ?       15.951  7.8411  0.000000       7.841108 
1 1 1 -25 -15 55 o 20.523  9.4290  111.050    107.346  421.523    385.166  84.903     111.775  ?       ?       19.499  9.1777  0.000000       9.177750 
1 1 1 -25 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -14 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -14 5  o 14.843  5.6853  24.995     28.643   86.730     68.158   11.754     31.566   23.223  8.7999  13.581  5.6919  9.641740       10.48024 
1 1 1 -25 -14 6  o 42.880  4.3881  242.695    45.013   251.684    91.326   239.811    51.733   37.878  9.8458  41.971  5.1905  -4.093159      11.13024 
1 1 1 -25 -14 7  o 12.488  5.9159  -39.3599   47.854   125.903    127.846  -66.2878   51.606   26.187  11.232  11.862  5.7534  14.32527       12.62010 
1 1 1 -25 -14 8  o 22.273  8.8700  71.921     71.971   102.388    154.606  63.492     81.320   25.537  11.572  21.940  9.1609  3.596052       14.75896 
1 1 1 -25 -14 9  o 33.029  5.7630  151.987    44.505   284.642    95.675   115.356    50.276   40.961  9.7644  27.549  7.3750  13.41207       12.23663 
1 1 1 -25 -14 10 o 63.265  4.5120  525.088    68.809   583.775    124.339  499.181    82.612   61.164  8.6169  60.348  5.7096  0.8159904      10.33687 
1 1 1 -25 -14 11 o 83.664  4.6637  920.366    94.297   741.689    191.574  977.500    108.330  60.315  13.435  85.347  5.2567  -25.03201      14.42644 
1 1 1 -25 -14 12 f 47.538  5.2491  304.495    59.537   301.993    105.716  305.656    72.049   41.488  10.494  46.375  6.5882  -4.887001      12.39082 
1 1 1 -25 -14 13 o 20.655  7.4905  59.891     48.400   -125.9580  91.739   131.574    56.975   14.934  7.3341  29.226  7.8624  -14.29184      10.75205 
1 1 1 -25 -14 14 o 14.027  6.3248  -9.0483    45.526   141.186    96.540   -52.0127   51.627   28.153  10.514  12.557  6.0036  15.59697       12.10763 
1 1 1 -25 -14 15 o 47.025  7.8227  330.484    86.123   235.872    141.341  386.354    108.614  32.973  12.629  48.797  9.5152  -15.82417      15.81270 
1 1 1 -25 -14 16 o 68.981  6.7114  673.477    110.911  549.410    178.960  750.848    141.324  50.154  14.112  70.021  8.4919  -19.86632      16.46957 
1 1 1 -25 -14 17 o 60.279  7.2107  525.616    103.371  601.801    169.374  480.396    130.492  55.667  12.806  53.192  10.483  2.474674       16.54989 
1 1 1 -25 -14 18 o 33.808  7.4704  170.218    59.649   111.553    153.495  180.652    64.737   26.590  11.829  34.469  7.9083  -7.879364      14.22893 
1 1 1 -25 -14 19 o 16.742  6.6147  29.776     39.732   15.842     54.346   45.777     58.236   16.954  7.2986  19.749  7.9396  -2.795572      10.78462 
1 1 1 -25 -14 20 o 26.443  7.0675  103.391    46.216   105.150    59.287   100.665    73.784   25.941  8.3174  25.170  9.2299  0.7712231      12.42460 
1 1 1 -25 -14 21 o 34.005  6.5103  164.652    51.761   135.858    69.048   201.590    78.206   28.917  8.9368  35.286  9.0811  -6.369402      12.74097 
1 1 1 -25 -14 22 o 57.842  9.7794  545.823    132.360  0.0000     0.0000   545.823    132.360  ?       ?       57.842  9.7794  0.000000       9.779430 
1 1 1 -25 -14 23 o 62.208  8.0611  581.452    118.815  793.456    254.452  522.339    134.362  52.354  17.263  55.755  10.312  -3.400974      20.10840 
1 1 1 -25 -14 24 o 20.056  8.7594  29.845     80.622   -104.0263  212.738  52.296     87.121   22.735  11.166  21.789  9.3070  0.9460640      14.53608 
1 1 1 -25 -14 25 o 23.967  7.7239  87.024     51.078   15.822     66.915   186.433    79.066   18.119  7.9449  33.483  9.3653  -15.36385      12.28130 
1 1 1 -25 -14 26 o 21.785  7.7071  69.199     50.899   89.952     66.364   39.549     79.323   24.074  8.7648  20.519  8.8255  3.555696       12.43832 
1 1 1 -25 -14 27 o 50.987  5.3841  351.669    65.602   386.849    89.754   311.318    96.124   51.269  7.4317  43.738  9.3414  7.530708       11.93701 
1 1 1 -25 -14 28 o 86.736  4.4405  981.969    93.140   896.544    130.312  1071.19    133.174  79.146  6.8532  87.538  6.3122  -8.391922      9.317243 
1 1 1 -25 -14 29 o 46.566  5.8302  299.675    64.431   268.778    85.916   339.382    97.397   40.914  8.9071  45.951  9.0576  -5.036594      12.70343 
1 1 1 -25 -14 30 o 36.832  7.0335  199.329    60.567   145.370    80.552   269.512    91.868   28.835  9.7180  40.036  9.5842  -11.20069      13.64903 
1 1 1 -25 -14 31 o 14.732  6.6427  -6.5706    50.220   33.446     65.979   -61.6858   77.433   19.038  8.1149  15.287  7.3205  3.751730       10.92889 
1 1 1 -25 -14 32 o 17.218  7.2144  26.276     50.687   37.958     63.566   5.8796     83.994   19.147  8.0537  18.679  8.4894  0.4686165      11.70180 
1 1 1 -25 -14 33 f 48.427  5.7428  325.898    66.164   319.619    88.758   333.751    99.262   44.872  8.4624  44.515  9.4804  0.3569946      12.70787 
1 1 1 -25 -14 34 o 20.325  8.2686  54.564     63.995   59.441     70.193   30.544     155.765  20.958  8.6081  22.729  10.739  -1.770229      13.76330 
1 1 1 -25 -14 35 o 19.432  9.5046  -86.7837   149.337  0.0000     0.0000   -86.7837   149.337  ?       ?       19.432  9.5046  0.000000       9.504595 
1 1 1 -25 -14 36 o 12.199  5.8700  -53.4629   51.176   -104.8847  63.622   40.793     86.137   12.085  5.9680  20.184  8.9257  -8.098952      10.73711 
1 1 1 -25 -14 37 o 39.085  10.437  291.893    100.839  291.893    100.839  0.0000     0.0000   39.085  10.437  ?       ?       0.000000       10.43665 
1 1 1 -25 -14 38 o 30.870  10.295  192.581    90.405   192.581    90.405   0.0000     0.0000   30.870  10.295  ?       ?       0.000000       10.29536 
1 1 1 -25 -14 39 o 21.649  8.6237  77.706     68.046   47.441     88.686   121.024    106.100  20.135  8.9720  24.344  10.331  -4.208994      13.68308 
1 1 1 -25 -14 40 o 16.078  7.7747  -56.3974   92.534   299.194    245.106  -115.5026  99.929   26.750  12.866  15.096  7.4594  11.65453       14.87186 
1 1 1 -25 -14 41 o 17.781  7.9183  27.305     68.970   -234.8583  271.216  45.430     71.314   ?       ?       19.011  8.2718  0.000000       8.271843 
1 1 1 -25 -14 42 o 23.409  8.0613  97.499     55.468   172.266    86.307   44.885     72.400   28.132  10.027  18.854  8.2658  9.278149       12.99474 
1 1 1 -25 -14 43 o 19.100  7.5383  57.716     51.551   0.3406     80.951   96.855     66.861   16.876  7.9009  22.544  8.6739  -5.667196      11.73288 
1 1 1 -25 -14 44 o 27.708  8.2534  141.285    59.636   183.841    94.729   113.346    76.756   27.463  10.382  23.274  9.1943  4.188869       13.86803 
1 1 1 -25 -14 45 o 19.763  7.8679  67.655     56.611   123.954    85.571   23.835     75.494   23.397  9.5448  17.351  7.9478  6.046511       12.42053 
1 1 1 -25 -14 46 o 13.189  6.1833  -17.0751   49.876   53.158     79.750   -62.1927   63.920   18.901  8.4588  12.849  6.2704  6.052118       10.52946 
1 1 1 -25 -14 47 o 13.517  6.4123  -24.4480   56.594   -26.0198   78.045   -22.7048   82.187   15.268  7.3217  15.662  7.5111  -0.3932629     10.48920 
1 1 1 -25 -14 48 o 35.282  8.1072  223.915    67.948   284.507    94.662   159.518    97.589   35.428  10.358  24.669  10.143  10.75857       14.49726 
1 1 1 -25 -14 49 o 23.015  9.4156  122.163    83.571   92.443     98.084   200.895    159.643  20.885  9.3611  23.584  11.058  -2.699112      14.48846 
1 1 1 -25 -14 50 o 23.875  11.096  202.923    155.040  0.0000     0.0000   202.923    155.040  ?       ?       23.875  11.096  0.000000       11.09633 
1 1 1 -25 -14 51 o 13.840  6.7834  -69.4666   77.263   0.0000     0.0000   -69.4666   77.263   ?       ?       13.840  6.7834  0.000000       6.783359 
1 1 1 -25 -14 52 o 18.598  7.8528  55.997     60.811   84.728     81.450   19.812     91.409   20.595  8.9004  17.644  8.3031  2.950836       12.17211 
1 1 1 -25 -14 53 o 12.399  5.8878  -26.2793   47.955   -8.6942    57.625   -65.8894   86.485   14.278  6.6786  14.528  7.1320  -0.2497663     9.770816 
1 1 1 -25 -14 54 o 22.748  9.9980  146.984    106.513  197.898    381.502  142.680    110.924  ?       ?       22.358  9.9929  0.000000       9.992899 
1 1 1 -25 -14 55 o 18.753  8.8885  61.693     108.297  6.4846     378.374  66.619     113.025  ?       ?       18.945  9.0089  0.000000       9.008893 
1 1 1 -25 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -13 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -13 4  o 19.789  7.2335  55.497     45.265   0.0000     0.0000   55.497     45.265   ?       ?       19.789  7.2335  0.000000       7.233490 
1 1 1 -25 -13 5  o 29.621  4.9900  119.323    34.590   160.339    74.123   107.904    39.109   30.639  9.2184  27.476  6.0316  3.163212       11.01636 
1 1 1 -25 -13 6  o 22.516  5.8985  72.357     32.611   45.046     74.038   78.931     36.324   20.359  8.6344  23.329  6.2786  -2.970154      10.67579 
1 1 1 -25 -13 7  o 25.483  8.4657  103.912    61.149   0.0000     0.0000   103.912    61.149   ?       ?       25.483  8.4657  0.000000       8.465671 
1 1 1 -25 -13 8  o 56.281  4.5310  415.934    61.351   566.845    112.947  352.771    73.071   61.629  7.7226  50.294  6.1136  11.33565       9.849596 
1 1 1 -25 -13 9  o 31.369  5.9239  137.692    43.436   87.616     86.364   154.649    50.255   24.034  9.6664  32.832  6.5382  -8.798193      11.66991 
1 1 1 -25 -13 10 f 36.138  6.1101  182.844    51.667   108.817    97.900   211.423    60.828   25.725  10.311  38.342  6.7868  -12.61654      12.34420 
1 1 1 -25 -13 11 o 30.002  7.3504  134.439    53.088   93.028     113.013  146.164    60.136   25.012  10.640  30.800  7.9815  -5.787823      13.30077 
1 1 1 -25 -13 12 o 30.112  6.9900  132.816    50.089   156.314    93.735   123.424    59.259   29.605  10.460  28.126  8.1874  1.479010       13.28359 
1 1 1 -25 -13 13 o 23.718  7.4590  83.893     47.865   89.923     91.852   81.645     56.082   24.495  9.9277  23.324  8.1016  1.171257       12.81384 
1 1 1 -25 -13 14 o 20.398  7.5021  56.773     48.796   47.724     93.660   60.145     57.167   21.941  9.5132  21.078  8.0419  0.8626041      12.45683 
1 1 1 -25 -13 15 o 41.020  8.8252  264.079    85.233   431.552    144.338  174.415    105.612  47.380  12.408  30.693  11.075  16.68685       16.63168 
1 1 1 -25 -13 16 o 35.980  6.5212  183.392    54.835   187.787    66.799   174.312    96.020   35.155  8.0098  31.203  10.610  3.951437       13.29366 
1 1 1 -25 -13 17 o 35.569  6.8779  182.031    57.212   205.297    70.164   135.868    98.831   36.746  8.0885  27.951  10.595  8.795000       13.32986 
1 1 1 -25 -13 18 o 10.521  4.9795  -32.4902   33.745   -20.5065   46.501   -45.8221   49.047   13.476  6.1967  12.493  5.9390  0.9831181      8.583181 
1 1 1 -25 -13 19 o 13.553  5.9271  0.8570     37.027   -22.8662   50.819   27.702     54.059   13.970  6.4437  17.927  7.4757  -3.956285      9.869517 
1 1 1 -25 -13 20 o 17.482  7.1438  28.928     48.040   0.2498     59.688   81.671     80.946   16.499  7.3554  23.742  9.4220  -7.242878      11.95307 
1 1 1 -25 -13 21 o 45.087  5.7270  277.278    61.240   257.870    78.733   307.005    97.441   41.256  8.1542  43.584  9.4836  -2.328068      12.50721 
1 1 1 -25 -13 22 o 33.444  12.027  223.529    124.427  0.0000     0.0000   223.529    124.427  ?       ?       33.444  12.027  0.000000       12.02665 
1 1 1 -25 -13 23 o 45.180  11.228  365.056    122.554  262.128    269.263  391.949    137.636  31.210  14.545  45.219  12.244  -14.00818      19.01192 
1 1 1 -25 -13 24 o 30.213  10.710  164.874    98.335   -1.5131    243.798  197.202    107.464  25.566  12.424  32.390  11.217  -6.823605      16.73865 
1 1 1 -25 -13 25 o 24.548  7.9112  91.709     53.585   101.506    71.857   79.436     80.427   25.292  9.1337  23.476  9.3680  1.815428       13.08373 
1 1 1 -25 -13 26 f 43.543  6.0426  262.701    62.121   299.036    84.321   219.571    91.869   44.423  8.1221  35.635  10.140  8.788105       12.99210 
1 1 1 -25 -13 27 o 13.499  6.2497  -24.4134   48.478   -19.7338   62.726   -31.3544   76.393   15.626  7.1895  16.554  7.7256  -0.9289427     10.55338 
1 1 1 -25 -13 28 o 30.724  7.5677  142.642    56.045   175.478    74.824   100.674    84.591   32.706  9.0974  25.068  9.7253  7.637470       13.31710 
1 1 1 -25 -13 29 o 60.582  5.0176  489.010    73.093   472.958    99.443   507.873    107.800  56.774  7.3943  58.274  7.8213  -1.500561      10.76330 
1 1 1 -25 -13 30 o 70.206  4.8752  653.654    82.533   661.063    114.552  645.656    119.016  67.529  7.0974  66.028  7.5652  1.500534       10.37326 
1 1 1 -25 -13 31 o 23.522  8.2985  85.757     58.972   82.051     80.150   90.131     87.077   23.348  9.3398  24.062  9.6963  -0.7144299     13.46292 
1 1 1 -25 -13 32 o 24.084  8.5047  92.034     61.953   43.952     87.792   139.731    87.439   21.013  9.1598  27.890  10.075  -6.876923      13.61643 
1 1 1 -25 -13 33 o 35.643  8.1169  199.521    68.627   284.788    100.353  124.611    94.060   39.952  10.290  26.337  10.245  13.61542       14.51991 
1 1 1 -25 -13 34 o 28.437  9.8937  147.256    83.654   132.764    99.028   183.364    156.315  26.656  10.471  28.325  12.285  -1.669281      16.14232 
1 1 1 -25 -13 35 o 47.233  8.7373  361.989    96.447   383.667    115.359  311.650    175.793  45.859  10.582  33.010  13.598  12.84866       17.23038 
1 1 1 -25 -13 36 f 19.347  8.7465  21.317     87.730   21.317     87.730   0.0000     0.0000   19.347  8.7465  ?       ?       0.000000       8.746533 
1 1 1 -25 -13 37 o 23.369  9.7103  93.200     90.738   93.200     90.738   0.0000     0.0000   23.369  9.7103  ?       ?       0.000000       9.710292 
1 1 1 -25 -13 38 o 39.305  8.0272  249.316    73.967   211.846    94.206   309.545    119.437  32.366  10.496  37.324  11.788  -4.957653      15.78369 
1 1 1 -25 -13 39 o 40.713  7.5737  262.134    72.064   289.081    101.387  234.618    102.450  38.096  10.587  32.970  10.958  5.125183       15.23719 
1 1 1 -25 -13 40 o 29.861  10.221  185.709    89.124   330.451    282.103  169.660    93.936   26.783  13.092  28.026  10.390  -1.243513      16.71406 
1 1 1 -25 -13 41 o 22.405  8.8228  90.549     70.467   -115.8415  254.887  107.629    73.325   20.807  10.509  23.790  9.1002  -2.982510      13.90179 
1 1 1 -25 -13 42 o 11.033  5.3961  -65.5909   48.121   -22.3559   84.391   -86.4218   58.578   16.409  7.7974  11.726  5.7784  4.682854       9.705154 
1 1 1 -25 -13 43 o 16.321  7.0870  24.758     52.132   90.782     84.099   -16.4475   66.437   21.794  9.2204  15.123  7.1047  6.671350       11.64010 
1 1 1 -25 -13 44 o 51.076  5.9872  390.088    72.793   605.114    114.060  242.324    94.552   59.333  8.1370  32.650  10.507  26.68291       13.28968 
1 1 1 -25 -13 45 o 40.485  6.8131  260.812    64.550   290.761    102.853  241.350    82.912   35.020  10.921  34.450  9.5743  0.5696945      14.52372 
1 1 1 -25 -13 46 f 23.982  7.8794  105.684    53.026   74.659     86.109   124.636    67.301   20.226  8.9353  24.639  8.8466  -4.412384      12.57386 
1 1 1 -25 -13 47 o 15.319  6.9595  9.8513     56.365   -9.9805    80.463   28.959     78.981   16.063  7.6274  17.639  8.0981  -1.576677      11.12455 
1 1 1 -25 -13 48 o 14.268  6.6597  -9.5759    56.797   -67.0368   89.597   29.028     73.438   14.849  7.2836  17.378  7.9138  -2.528986      10.75536 
1 1 1 -25 -13 49 o 26.597  11.598  252.114    140.861  0.0000     0.0000   252.114    140.861  ?       ?       26.597  11.598  0.000000       11.59805 
1 1 1 -25 -13 50 o 29.001  12.455  336.226    157.546  0.0000     0.0000   336.226    157.546  ?       ?       29.001  12.455  0.000000       12.45484 
1 1 1 -25 -13 51 o ?       ?       -219.6042  68.267   -801.3381  314.382  -190.8165  69.936   ?       ?       10.486  5.3172  0.000000       5.317233 
1 1 1 -25 -13 52 o 14.741  6.8533  -4.3815    59.221   -36.3233   86.239   24.123     81.467   15.491  7.4948  17.476  8.0949  -1.984720      11.03170 
1 1 1 -25 -13 53 o 25.391  10.599  188.246    108.806  27.572     377.156  202.832    113.637  ?       ?       25.838  10.812  0.000000       10.81228 
1 1 1 -25 -13 54 o 19.348  9.0697  66.557     107.265  -47.4086   376.692  76.614     111.898  ?       ?       19.731  9.2538  0.000000       9.253792 
1 1 1 -25 -13 55 o 17.413  8.4075  18.071     107.211  1148.28    385.402  -76.7245   111.616  25.500  12.884  15.352  7.6370  10.14730       14.97776 
1 1 1 -25 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -12 3  o 23.780  7.1445  85.752     44.547   0.0000     0.0000   85.752     44.547   ?       ?       23.780  7.1445  0.000000       7.144514 
1 1 1 -25 -12 4  o 32.775  4.8511  144.526    37.413   218.806    90.466   129.201    41.091   35.061  10.090  30.347  5.7918  4.714437       11.63421 
1 1 1 -25 -12 5  o 42.894  4.2902  240.795    44.053   229.125    86.748   244.851    51.138   36.727  9.6198  42.690  5.0336  -5.962708      10.85714 
1 1 1 -25 -12 6  o 13.903  6.0828  2.2664     39.032   62.244     75.805   -19.3722   45.532   21.818  8.9515  13.319  6.1271  8.499086       10.84757 
1 1 1 -25 -12 7  o 40.116  7.5864  239.990    71.139   387.528    164.311  205.954    78.920   40.658  13.879  35.516  9.1129  5.142574       16.60297 
1 1 1 -25 -12 8  o 34.711  5.7840  166.522    47.000   144.152    88.953   175.186    55.358   28.674  10.184  34.847  6.7912  -6.173756      12.24050 
1 1 1 -25 -12 9  o 33.539  6.8370  162.604    53.751   55.484     96.824   210.322    64.623   22.472  9.7079  37.854  7.3005  -15.38174      12.14661 
1 1 1 -25 -12 10 o 37.956  6.0491  200.074    53.840   200.137    101.291  200.049    63.563   33.052  10.892  36.877  7.3616  -3.825275      13.14611 
1 1 1 -25 -12 11 o 34.203  6.4444  165.577    51.521   268.336    100.757  129.197    59.952   39.469  10.382  28.856  8.1847  10.61238       13.22013 
1 1 1 -25 -12 12 o 19.260  7.2032  47.889     45.342   106.491    86.740   25.855     53.187   25.779  9.8890  17.695  7.4002  8.084642       12.35136 
1 1 1 -25 -12 13 f 51.111  5.1402  347.917    62.883   306.332    111.266  367.433    76.223   41.756  10.874  51.511  6.2247  -9.755550      12.52993 
1 1 1 -25 -12 14 o 80.949  3.9088  836.161    76.775   759.094    110.395  908.352    106.845  74.275  6.1817  82.467  5.3689  -8.192184      8.187688 
1 1 1 -25 -12 15 o 88.583  5.2651  1043.66    112.658  1106.78    146.855  953.404    175.622  88.535  6.8904  77.451  9.5473  11.08404       11.77410 
1 1 1 -25 -12 16 o 85.410  5.2346  969.161    107.957  989.152    140.020  939.856    169.525  83.570  6.9687  77.587  9.1831  5.983101       11.52792 
1 1 1 -25 -12 17 o 18.660  7.0449  43.286     43.581   59.346     57.892   22.282     66.208   21.122  8.0845  18.643  8.0408  2.479031       11.40240 
1 1 1 -25 -12 18 o 14.700  6.3558  6.0313     41.573   -11.7104   53.347   33.468     66.341   15.017  6.8017  19.449  8.2066  -4.432650      10.65890 
1 1 1 -25 -12 19 o 23.066  7.1454  77.597     44.111   120.425    59.491   25.297     65.742   27.921  8.2252  18.815  8.0619  9.105913       11.51728 
1 1 1 -25 -12 20 o 14.868  6.5256  1.8969     45.234   31.070     54.605   -61.9106   80.755   18.304  7.5631  15.902  7.5768  2.402170       10.70558 
1 1 1 -25 -12 21 o 94.895  4.6707  1172.71    107.544  971.336    159.648  1340.00    145.514  80.502  8.2919  98.983  6.0882  -18.48148      10.28697 
1 1 1 -25 -12 22 o 88.819  9.4558  1248.11    200.651  0.0000     0.0000   1248.11    200.651  ?       ?       88.819  9.4558  0.000000       9.455850 
1 1 1 -25 -12 23 o 81.991  8.0072  996.207    157.264  1096.72    301.877  958.768    184.240  61.448  18.630  76.445  10.186  -14.99692      21.23255 
1 1 1 -25 -12 24 o 56.991  8.5256  494.534    114.272  0.0000     0.0000   494.534    114.272  ?       ?       56.991  8.5256  0.000000       8.525558 
1 1 1 -25 -12 25 f 17.488  7.4886  19.058     56.659   -21.4369   71.934   85.237     91.960   16.633  7.6697  24.278  9.8983  -7.645632      12.52204 
1 1 1 -25 -12 26 o 43.439  6.8958  269.868    70.254   192.682    98.993   348.190    99.719   32.626  10.768  46.998  9.0731  -14.37178      14.08097 
1 1 1 -25 -12 27 o 41.031  7.0629  243.268    67.780   353.440    99.706   148.608    92.420   47.395  8.9992  29.071  10.374  18.32400       13.73370 
1 1 1 -25 -12 28 o 43.272  6.9233  268.999    70.242   313.557    101.209  227.592    97.566   43.482  9.8243  35.807  10.529  7.675415       14.40060 
1 1 1 -25 -12 29 o 29.820  8.5382  141.660    64.927   79.577     93.888   198.560    89.884   23.751  9.8739  33.685  10.155  -9.933203      14.16398 
1 1 1 -25 -12 30 o 45.723  6.4299  295.057    69.364   271.221    99.331   317.742    96.905   39.519  10.266  44.257  9.3187  -4.737953      13.86489 
1 1 1 -25 -12 31 o 11.144  5.5058  -100.3352  54.360   -21.1410   75.727   -184.5263  78.080   16.863  7.8088  12.115  6.0798  4.748955       9.896523 
1 1 1 -25 -12 32 o 50.772  6.0273  359.136    72.803   425.393    105.088  297.990    100.953  52.087  8.6162  41.494  10.118  10.59330       13.28965 
1 1 1 -25 -12 33 o 39.786  9.7350  270.470    93.210   251.413    108.730  323.297    181.029  35.955  11.231  34.385  13.937  1.569878       17.89916 
1 1 1 -25 -12 34 o 41.691  9.4600  292.777    93.502   325.152    111.307  215.161    172.344  41.910  10.858  29.518  12.852  12.39201       16.82427 
1 1 1 -25 -12 35 f 26.551  10.527  133.074    100.957  133.074    100.957  0.0000     0.0000   26.551  10.527  ?       ?       0.000000       10.52696 
1 1 1 -25 -12 36 o 27.770  10.377  149.663    94.056   149.663    94.056   0.0000     0.0000   27.770  10.377  ?       ?       0.000000       10.37679 
1 1 1 -25 -12 37 o 17.257  7.7000  12.574     65.557   -46.7251   87.118   89.996     99.544   16.410  7.8329  23.336  9.9577  -6.925903      12.66923 
1 1 1 -25 -12 38 o 23.394  8.6082  92.842     64.257   -4.8691    91.263   188.900    90.488   18.171  8.4678  30.808  10.300  -12.63742      13.33419 
1 1 1 -25 -12 39 o 19.559  7.6600  55.681     52.860   13.661     90.519   77.425     65.116   18.748  8.6301  21.761  8.5075  -3.012432      12.11844 
1 1 1 -25 -12 40 o 25.295  9.3583  122.431    76.123   68.582     258.739  127.534    79.648   23.388  11.633  25.561  9.5495  -2.172470      15.05089 
1 1 1 -25 -12 41 o 41.490  9.8935  326.340    98.199   171.417    277.661  348.488    104.983  24.261  12.065  42.121  10.347  -17.85990      15.89398 
1 1 1 -25 -12 42 o 36.413  6.9967  208.295    59.572   211.500    95.839   206.277    76.048   30.693  10.595  33.209  9.1466  -2.516466      13.99676 
1 1 1 -25 -12 43 o 36.136  7.1510  209.259    60.480   174.968    94.544   233.012    78.686   27.408  10.369  35.253  9.1273  -7.845343      13.81414 
1 1 1 -25 -12 44 o 18.340  7.5288  49.679     53.661   130.525    86.082   -1.7037    68.627   24.288  9.6917  15.898  7.3866  8.389907       12.18570 
1 1 1 -25 -12 45 o 12.285  5.8330  -29.6509   47.034   -79.6644   78.275   -1.3888    58.841   13.788  6.7722  15.028  6.9322  -1.239503      9.691168 
1 1 1 -25 -12 46 o 18.694  7.8378  54.840     59.888   108.036    91.815   15.447     79.010   22.147  9.5096  17.131  7.9480  5.016050       12.39369 
1 1 1 -25 -12 47 o 18.346  7.7883  50.972     60.336   51.976     88.608   50.104     82.387   19.091  8.6934  18.854  8.5042  0.2367668      12.16123 
1 1 1 -25 -12 48 o 12.849  6.3263  -81.4714   69.705   0.0000     0.0000   -81.4714   69.705   ?       ?       12.849  6.3263  0.000000       6.326336 
1 1 1 -25 -12 49 o 22.271  10.312  130.042    132.002  0.0000     0.0000   130.042    132.002  ?       ?       22.271  10.312  0.000000       10.31184 
1 1 1 -25 -12 50 o ?       ?       -264.6801  91.778   0.0000     0.0000   -264.6801  91.778   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 -12 51 o 20.201  8.1900  73.744     62.535   107.300    92.556   45.560     84.824   22.016  9.5013  18.717  8.5163  3.299047       12.75939 
1 1 1 -25 -12 52 f 14.083  6.4460  -0.5452    49.532   10.073     62.814   -18.0038   80.546   15.802  7.2426  15.767  7.5273  0.3575706E-01  10.44584 
1 1 1 -25 -12 53 o 20.594  9.5371  89.665     112.990  477.595    376.902  51.358     118.438  ?       ?       19.329  9.2003  0.000000       9.200292 
1 1 1 -25 -12 54 o 20.763  9.4613  101.988    105.191  -60.3984   369.584  116.302    109.729  ?       ?       21.299  9.6892  0.000000       9.689171 
1 1 1 -25 -12 55 o 13.631  6.8703  -156.2334  105.624  -203.4245  329.574  -150.8316  111.505  ?       ?       14.055  7.0808  0.000000       7.080752 
1 1 1 -25 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -11 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -11 3  o 11.925  5.1297  3.0571     26.803   0.0000     0.0000   3.0571     26.803   ?       ?       11.925  5.1297  0.000000       5.129689 
1 1 1 -25 -11 4  o 18.226  5.5901  45.933     27.075   -28.6402   56.636   68.024     30.826   14.346  6.6804  21.959  5.7262  -7.613042      8.798719 
1 1 1 -25 -11 5  o 14.626  5.6977  21.982     29.128   106.205    72.257   5.6400     31.828   25.585  9.1687  13.111  5.6135  12.47388       10.75065 
1 1 1 -25 -11 6  o 19.039  7.4059  44.538     49.155   100.569    146.533  37.433     52.178   25.973  11.556  18.553  7.4953  7.420294       13.77381 
1 1 1 -25 -11 7  o 19.837  6.5858  55.047     37.009   -97.5892   143.320  65.952     38.308   19.736  9.5759  21.433  6.6620  -1.696844      11.66535 
1 1 1 -25 -11 8  o 88.561  4.2572  1011.44    91.481   1061.97    156.902  985.421    112.601  85.096  7.6818  85.700  5.4432  -0.6037445     9.414799 
1 1 1 -25 -11 9  o 102.275 4.3821  1352.57    108.746  1244.29    179.140  1415.76    136.844  91.216  8.1808  102.707 5.5113  -11.49052      9.864086 
1 1 1 -25 -11 10 o 56.906  4.7832  425.579    65.432   365.188    120.089  451.078    78.033   45.768  10.959  57.753  5.6405  -11.98463      12.32519 
1 1 1 -25 -11 11 o 56.911  4.8016  425.615    65.686   421.458    122.624  427.288    77.787   50.217  10.406  56.062  5.8024  -5.844940      11.91425 
1 1 1 -25 -11 12 o 96.874  3.9828  1198.81    93.619   1336.43    136.982  1078.19    128.244  99.598  5.6919  88.990  5.9739  10.60802       8.251356 
1 1 1 -25 -11 13 o 69.326  3.9915  615.559    66.858   609.521    95.565   621.347    93.568   66.889  5.9503  67.789  5.7426  -0.9001465     8.269450 
1 1 1 -25 -11 14 o 35.020  6.4793  172.690    53.028   160.401    62.766   203.335    99.120   32.541  8.0045  33.877  10.743  -1.336056      13.39729 
1 1 1 -25 -11 15 o 25.445  8.1184  98.345     56.538   60.821     65.254   211.337    113.233  21.632  8.4991  33.595  11.521  -11.96304      14.31656 
1 1 1 -25 -11 16 o 75.270  5.6284  761.566    102.052  679.352    125.164  924.613    176.263  68.324  7.6832  76.129  9.7675  -7.805183      12.42719 
1 1 1 -25 -11 17 o 32.350  6.4886  147.836    49.161   146.947    65.387   148.991    74.560   30.742  8.4871  30.314  9.2731  0.4282055      12.57060 
1 1 1 -25 -11 18 o 40.725  5.9945  227.806    57.463   203.477    80.070   253.644    82.515   35.676  9.1926  40.609  8.6398  -4.933357      12.61547 
1 1 1 -25 -11 19 o 39.815  6.1024  218.763    57.074   198.468    73.125   250.396    91.295   35.868  8.5274  39.230  9.6561  -3.362106      12.88239 
1 1 1 -25 -11 20 o 79.022  4.5184  810.370    86.276   712.225    116.996  927.361    127.736  71.141  6.8629  81.810  6.4881  -10.66918      9.444299 
1 1 1 -25 -11 21 o 35.099  11.334  226.605    109.949  348.169    246.835  196.515    122.805  34.803  15.260  31.977  11.875  2.825562       19.33609 
1 1 1 -25 -11 22 o 38.225  11.376  266.644    113.333  360.542    242.898  240.513    128.136  35.306  15.314  34.836  12.238  0.4702415      19.60305 
1 1 1 -25 -11 23 o 78.080  8.1772  907.002    152.622  728.299    295.158  972.221    178.310  45.520  18.015  78.293  9.5865  -32.77323      20.40663 
1 1 1 -25 -11 24 o 105.875 4.6073  1456.32    118.360  1504.09    169.630  1411.00    165.230  103.537 6.7898  100.177 6.8385  3.359810       9.636698 
1 1 1 -25 -11 25 o 60.452  5.5961  492.775    81.152   446.677    113.295  541.348    116.297  53.568  9.0380  60.192  8.1742  -6.623943      12.18617 
1 1 1 -25 -11 26 o 57.078  5.9216  445.203    80.818   468.585    112.258  420.044    116.445  55.337  8.6432  50.917  9.7808  4.420307       13.05248 
1 1 1 -25 -11 27 o 110.895 4.7008  1605.11    126.487  1529.44    179.322  1680.04    178.442  103.344 7.1962  109.297 6.7618  -5.952698      9.874580 
1 1 1 -25 -11 28 o 101.810 4.7612  1356.69    117.616  1419.64    168.407  1296.75    164.336  99.883  6.9929  95.085  7.1758  4.797989       10.01958 
1 1 1 -25 -11 29 o 28.662  8.8482  132.599    67.708   169.679    91.941   88.660     100.083  30.911  10.382  24.568  10.202  6.342890       14.55626 
1 1 1 -25 -11 30 o 24.918  8.6609  97.542     64.098   85.170     89.122   110.800    92.257   24.015  9.7625  25.905  10.127  -1.889599      14.06619 
1 1 1 -25 -11 31 f 13.159  6.2932  -54.9292   56.802   -61.7956   82.406   -48.7136   78.404   15.918  7.6036  15.997  7.5767  -0.7927322E-01 10.73411 
1 1 1 -25 -11 32 o 21.999  8.4252  69.834     62.897   89.524     90.163   51.169     87.784   24.142  9.8173  21.583  9.2838  2.559389       13.51181 
1 1 1 -25 -11 33 o 20.801  9.0053  43.148     83.677   -9.6866    95.472   218.227    173.793  18.935  8.7681  30.120  13.009  -11.18489      15.68809 
1 1 1 -25 -11 34 o 27.403  10.704  141.207    103.005  141.207    103.005  0.0000     0.0000   27.403  10.704  ?       ?       0.000000       10.70374 
1 1 1 -25 -11 35 o 53.658  9.6104  484.309    120.528  484.309    120.528  0.0000     0.0000   53.658  9.6104  ?       ?       0.000000       9.610446 
1 1 1 -25 -11 36 o 28.922  9.2000  146.347    72.647   138.441    96.247   156.814    110.750  26.913  10.392  27.729  11.016  -0.8157864     15.14415 
1 1 1 -25 -11 37 o 22.793  8.5702  84.355     64.352   83.342     91.896   85.329     90.143   22.915  9.6634  23.015  9.6304  -0.9997559E-01 13.64281 
1 1 1 -25 -11 38 o 20.053  7.6852  59.108     52.355   8.8888     85.159   89.623     66.383   18.413  8.4368  23.098  8.7006  -4.684919      12.11936 
1 1 1 -25 -11 39 f 36.333  10.160  253.027    93.066   228.555    266.943  256.413    99.296   26.284  12.824  35.659  10.656  -9.375256      16.67335 
1 1 1 -25 -11 40 o 23.465  9.2724  100.928    78.086   -55.8944   256.221  116.985    81.986   21.973  11.025  24.643  9.5705  -2.670328      14.59981 
1 1 1 -25 -11 41 o 23.604  9.3858  106.548    80.472   44.101     261.329  113.089    84.582   22.788  11.390  23.989  9.5952  -1.201429      14.89317 
1 1 1 -25 -11 42 o 12.731  6.0221  -30.3617   49.237   -2.5578    81.722   -46.2063   61.692   17.077  7.9765  13.531  6.4940  3.546440       10.28577 
1 1 1 -25 -11 43 o 14.517  6.5435  3.0201     48.683   -37.7438   83.144   24.287     60.054   15.703  7.5373  16.889  7.4614  -1.185375      10.60582 
1 1 1 -25 -11 44 o 18.098  7.5595  45.868     55.403   93.943     93.102   19.508     68.939   21.778  9.4635  17.025  7.7197  4.752954       12.21279 
1 1 1 -25 -11 45 o 19.019  7.4949  58.459     50.886   2.0825     84.734   90.261     63.640   17.006  8.0002  21.844  8.4463  -4.838659      11.63370 
1 1 1 -25 -11 46 o 18.944  7.9148  57.331     60.755   -75.0109   96.876   143.126    78.001   15.275  7.5086  25.519  9.4666  -10.24399      12.08292 
1 1 1 -25 -11 47 o 18.510  8.4305  41.511     83.379   0.0000     0.0000   41.511     83.379   ?       ?       18.510  8.4305  0.000000       8.430507 
1 1 1 -25 -11 48 o 14.763  7.0974  -35.4274   74.406   0.0000     0.0000   -35.4274   74.406   ?       ?       14.763  7.0974  0.000000       7.097426 
1 1 1 -25 -11 49 o 26.524  11.694  251.895    146.777  0.0000     0.0000   251.895    146.777  ?       ?       26.524  11.694  0.000000       11.69427 
1 1 1 -25 -11 50 o 22.920  9.3131  113.928    81.062   177.155    101.352  1.6797     135.043  26.070  10.476  18.805  9.1628  7.264938       13.91808 
1 1 1 -25 -11 51 o 17.789  7.4068  45.905     52.949   48.441     66.877   41.645     86.680   18.408  8.0100  18.637  8.5292  -0.2286148     11.70077 
1 1 1 -25 -11 52 o 15.738  6.9164  22.150     50.960   -42.0725   63.314   140.278    85.869   13.505  6.5058  24.395  9.6970  -10.89049      11.67722 
1 1 1 -25 -11 53 o 24.073  10.609  176.050    120.648  15.486     323.915  201.913    130.002  ?       ?       24.742  10.952  0.000000       10.95209 
1 1 1 -25 -11 54 o 15.990  7.9159  -64.9146   114.453  -492.0529  310.221  2.3867     123.140  ?       ?       17.792  8.6868  0.000000       8.686833 
1 1 1 -25 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -10 2  o 26.113  6.9499  101.378    44.811   0.0000     0.0000   101.378    44.811   ?       ?       26.113  6.9499  0.000000       6.949857 
1 1 1 -25 -10 3  o 13.809  5.2189  20.793     23.934   -44.1479   65.572   30.774     25.707   14.751  6.9690  15.587  5.4811  -0.8361549     8.866202 
1 1 1 -25 -10 4  o 43.287  4.2594  244.033    44.158   302.918    82.267   220.200    52.337   44.980  7.8219  40.210  5.5091  4.769295       9.567224 
1 1 1 -25 -10 5  o 28.851  7.6690  126.231    54.609   2.6181     143.053  147.317    59.083   22.443  10.506  31.098  7.8339  -8.655666      13.10486 
1 1 1 -25 -10 6  o 37.863  7.6716  213.348    68.066   192.927    162.265  217.709    74.981   30.298  12.812  37.514  8.4415  -7.215643      15.34318 
1 1 1 -25 -10 7  o 60.434  4.3226  473.236    62.967   553.685    118.948  441.914    74.219   60.625  8.3044  57.396  5.3926  3.229286       9.901649 
1 1 1 -25 -10 8  o 56.294  4.7108  415.359    63.755   345.435    110.722  450.043    77.981   45.429  10.284  57.707  5.6414  -12.27766      11.72985 
1 1 1 -25 -10 9  f 40.906  5.9660  229.928    57.472   333.849    104.671  185.077    68.765   45.309  9.8056  34.777  8.2700  10.53190       12.82741 
1 1 1 -25 -10 10 o 33.526  5.7629  154.127    45.190   161.562    67.810   148.186    60.611   32.208  8.5384  31.272  7.9658  0.9359779      11.67726 
1 1 1 -25 -10 11 o 18.601  6.7387  44.695     39.158   54.474     59.563   37.252     51.966   20.794  8.1347  18.687  7.5045  2.107058       11.06759 
1 1 1 -25 -10 12 o 13.653  5.9272  2.5014     36.448   -38.2807   47.632   60.120     56.616   12.695  5.9801  21.216  8.0249  -8.521215      10.00806 
1 1 1 -25 -10 13 o 46.605  4.7480  284.925    52.941   307.416    71.507   257.641    78.757   47.029  6.4352  41.510  8.1103  5.519627       10.35314 
1 1 1 -25 -10 14 o 16.357  6.9907  13.596     49.204   12.112     54.766   19.812     112.053  16.873  7.2951  21.871  9.8864  -4.998224      12.28660 
1 1 1 -25 -10 15 o 32.801  7.8093  160.605    61.259   150.810    70.244   191.713    125.184  30.888  8.8917  31.733  11.949  -0.8452835     14.89441 
1 1 1 -25 -10 16 o 29.155  6.9802  122.942    48.725   171.482    66.652   67.229     71.407   33.571  8.2430  22.516  8.8767  11.05445       12.11373 
1 1 1 -25 -10 17 o 11.118  5.3415  -51.0790   41.977   -68.8984   55.303   -26.8604   64.474   12.501  6.0363  15.637  7.2282  -3.135904      9.417213 
1 1 1 -25 -10 18 o 12.896  6.0163  -30.8240   46.265   -27.4105   68.167   -33.7393   62.995   16.045  7.4224  15.112  7.0399  0.9334135      10.23002 
1 1 1 -25 -10 19 o 20.648  8.0650  53.004     58.476   35.213     79.286   74.225     86.592   20.617  8.8443  23.623  9.6151  -3.005974      13.06415 
1 1 1 -25 -10 20 o 43.303  6.5043  261.574    66.230   234.861    89.720   293.560    98.177   37.973  9.7019  42.678  9.7006  -4.704636      13.71963 
1 1 1 -25 -10 21 f 27.063  10.624  119.266    101.883  54.002     189.578  145.770    120.812  26.094  12.175  28.780  11.482  -2.685921      16.73555 
1 1 1 -25 -10 22 o 44.902  10.729  343.115    115.290  48.039     230.726  441.308    133.098  26.856  12.799  50.625  11.138  -23.76912      16.96666 
1 1 1 -25 -10 23 o 28.066  10.942  134.503    107.473  222.365    226.502  108.974    122.091  31.296  14.110  26.569  11.168  4.727217       17.99453 
1 1 1 -25 -10 24 o 30.946  8.7018  150.551    68.071   171.072    92.627   126.455    100.371  31.411  10.419  27.499  10.614  3.912207       14.87320 
1 1 1 -25 -10 25 o 39.534  7.7668  231.371    71.847   239.183    98.739   222.581    104.739  37.257  10.482  35.154  11.030  2.102955       15.21619 
1 1 1 -25 -10 26 o 30.504  9.0281  149.482    71.527   116.553    103.806  179.250    98.697   26.716  10.648  31.706  10.757  -4.989901      15.13586 
1 1 1 -25 -10 27 o 51.877  6.2248  372.165    76.791   407.733    105.267  331.710    112.268  51.501  8.7360  43.984  10.636  7.517483       13.76398 
1 1 1 -25 -10 28 o 66.582  5.4347  594.754    87.034   607.304    119.556  580.604    126.946  64.145  7.8450  61.433  8.7649  2.712646       11.76297 
1 1 1 -25 -10 29 o 44.408  7.2267  285.918    75.192   351.239    105.257  217.844    107.452  46.485  9.6479  34.169  11.216  12.31548       14.79463 
1 1 1 -25 -10 30 o 29.722  8.8252  142.446    68.266   163.340    90.539   114.917    103.924  30.408  10.303  26.298  10.594  4.109926       14.77782 
1 1 1 -25 -10 31 o 44.753  6.9970  289.111    73.492   245.975    99.760   340.301    108.677  37.175  10.563  44.705  10.239  -7.529408      14.71087 
1 1 1 -25 -10 32 o 31.377  8.4737  156.759    66.028   176.430    88.857   132.505    98.667   31.470  10.192  27.308  10.529  4.162228       14.65374 
1 1 1 -25 -10 33 o 46.253  10.077  364.806    109.900  364.806    109.900  0.0000     0.0000   46.253  10.077  ?       ?       0.000000       10.07745 
1 1 1 -25 -10 34 o 38.212  10.537  265.298    100.858  265.298    100.858  0.0000     0.0000   38.212  10.537  ?       ?       0.000000       10.53708 
1 1 1 -25 -10 35 o 18.372  7.9952  24.473     66.646   46.415     78.095   -34.3379   127.855  20.528  8.7911  19.923  9.5040  0.6049366      12.94639 
1 1 1 -25 -10 36 o 15.294  6.8934  -3.1504    54.019   -14.1079   65.111   21.048     96.760   15.881  7.3136  20.018  9.1035  -4.137287      11.67745 
1 1 1 -25 -10 37 o 32.603  7.5533  165.820    58.581   249.766    90.695   105.726    76.736   37.208  9.8799  24.617  9.3351  12.59104       13.59247 
1 1 1 -25 -10 38 o 46.250  5.6904  301.187    62.510   303.782    94.595   299.176    83.287   41.496  9.5878  43.019  8.2796  -1.523026      12.66792 
1 1 1 -25 -10 39 o 28.387  9.7785  155.702    81.618   329.836    277.839  139.255    85.386   27.944  13.503  26.655  9.9014  1.289619       16.74405 
1 1 1 -25 -10 40 o 16.028  7.2734  2.5501     61.342   -105.5813  289.013  7.6510     62.772   22.013  11.126  16.451  7.4214  5.561604       13.37374 
1 1 1 -25 -10 41 o 34.040  7.2839  183.832    58.343   165.293    95.453   194.889    73.716   27.460  10.412  32.788  8.9948  -5.327736      13.75915 
1 1 1 -25 -10 42 o 31.723  8.0371  171.508    61.936   160.368    101.856  178.044    78.017   26.311  10.527  30.026  9.5321  -3.715475      14.20172 
1 1 1 -25 -10 43 o 41.224  6.6709  262.122    64.447   296.720    107.127  242.499    80.679   36.031  11.131  35.983  9.2037  0.4765320E-01  14.44313 
1 1 1 -25 -10 44 o 36.786  7.3455  221.046    63.269   280.945    105.817  187.717    78.933   34.350  11.122  30.194  9.5882  4.156153       14.68453 
1 1 1 -25 -10 45 o 32.220  7.6179  176.357    58.618   207.053    100.096  160.335    72.317   28.721  10.710  28.070  9.2007  0.6504364      14.11948 
1 1 1 -25 -10 46 o 16.886  7.9638  0.3047     84.949   0.0000     0.0000   0.3047     84.949   ?       ?       16.886  7.9638  0.000000       7.963840 
1 1 1 -25 -10 47 o 15.758  7.6019  -34.6029   87.202   0.0000     0.0000   -34.6029   87.202   ?       ?       15.758  7.6019  0.000000       7.601851 
1 1 1 -25 -10 48 o 20.674  9.8094  75.218     132.593  0.0000     0.0000   75.218     132.593  ?       ?       20.674  9.8094  0.000000       9.809370 
1 1 1 -25 -10 49 o 22.592  9.2645  109.190    81.147   102.880    100.779  120.826    136.842  21.770  9.6395  22.125  10.330  -0.3548622     14.12912 
1 1 1 -25 -10 50 o 32.844  8.0021  190.043    63.184   204.714    81.754   168.282    99.568   30.953  9.7504  25.726  10.368  5.226826       14.23248 
1 1 1 -25 -10 51 o 19.748  7.7548  66.940     54.300   58.657     68.124   81.371     89.917   19.163  8.2088  20.720  9.1432  -1.556841      12.28750 
1 1 1 -25 -10 52 o 11.895  5.9536  -131.0475  72.498   -564.0520  291.802  -102.5614  74.844   ?       ?       12.784  6.3416  0.000000       6.341562 
1 1 1 -25 -10 53 f 22.902  10.295  149.088    119.567  211.551    322.408  139.127    128.748  ?       ?       22.259  10.263  0.000000       10.26301 
1 1 1 -25 -10 54 o 15.475  7.6515  -68.4342   105.727  -51.3485   309.261  -70.6953   112.506  ?       ?       15.760  7.8105  0.000000       7.810486 
1 1 1 -25 -9  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -25 -9  2  o 26.659  4.9199  96.049     30.653   36.274     74.780   108.121    33.606   20.028  8.5905  28.223  5.0948  -8.195000      9.987675 
1 1 1 -25 -9  3  o 41.023  4.2670  219.225    41.852   323.915    78.504   177.656    49.468   47.416  7.0369  35.812  5.8983  11.60420       9.181927 
1 1 1 -25 -9  4  o 10.117  4.6254  -13.1045   25.404   25.988     53.872   -24.2829   28.808   17.748  7.4369  10.017  4.6972  7.730216       8.796127 
1 1 1 -25 -9  5  o 24.563  7.9649  91.335     54.252   139.945    147.721  83.757     58.328   28.050  12.054  23.637  8.2593  4.413012       14.61192 
1 1 1 -25 -9  6  o 24.463  6.3972  85.474     38.403   50.485     85.688   94.268     42.959   21.831  9.2751  25.483  6.8152  -3.651985      11.50978 
1 1 1 -25 -9  7  o 14.481  5.9502  15.293     33.555   -15.9539   75.386   23.013     37.472   17.324  7.9380  15.836  6.3679  1.488672       10.17652 
1 1 1 -25 -9  8  o 27.701  5.9454  106.826    38.766   163.436    57.909   60.857     52.183   33.417  7.3424  21.108  7.7589  12.30927       10.68230 
1 1 1 -25 -9  9  o 33.445  5.9266  154.132    46.335   160.802    67.534   148.199    63.691   32.204  8.5134  31.058  8.2949  1.145823       11.88626 
1 1 1 -25 -9  10 o 64.049  4.3675  530.194    67.470   526.826    93.874   533.794    97.037   61.809  6.3497  61.985  6.5512  -0.1758995     9.123431 
1 1 1 -25 -9  11 o 51.835  4.4419  348.518    55.327   349.088    75.899   347.873    80.820   50.243  6.3688  49.654  6.8941  0.5883827      9.385684 
1 1 1 -25 -9  12 o 35.029  5.7239  167.178    46.969   194.587    63.716   134.557    69.512   36.554  7.4368  29.162  8.9592  7.392086       11.64356 
1 1 1 -25 -9  13 o 43.070  6.3292  256.659    64.170   237.928    72.129   327.761    140.529  40.348  7.6474  40.780  12.774  -0.4315300     14.88775 
1 1 1 -25 -9  14 o 30.363  8.1567  140.025    61.372   156.252    70.305   88.067     125.805  31.569  8.8316  25.743  11.094  5.826029       14.17971 
1 1 1 -25 -9  15 f 59.160  6.6903  487.498    94.350   529.486    116.588  407.820    160.607  59.778  8.2585  44.580  13.605  15.19833       15.91515 
1 1 1 -25 -9  16 o 39.797  6.5822  221.498    61.338   252.859    94.694   198.829    80.511   39.342  9.9215  35.345  9.2722  3.996552       13.57978 
1 1 1 -25 -9  17 o 30.853  7.4746  139.871    55.367   109.366    77.950   170.932    78.655   26.415  9.5170  32.553  9.4201  -6.138313      13.39070 
1 1 1 -25 -9  18 o 44.158  6.2533  268.608    65.129   261.855    89.181   276.327    95.339   40.857  9.2153  41.537  9.6447  -0.6801491     13.33949 
1 1 1 -25 -9  19 o 50.783  5.8010  348.767    70.197   330.450    96.103   369.718    102.779  46.476  8.8453  49.087  8.9593  -2.611355      12.59002 
1 1 1 -25 -9  20 o 24.771  8.7834  92.287     66.145   130.766    95.598   56.947     91.616   28.067  10.467  22.754  9.6249  5.312840       14.21937 
1 1 1 -25 -9  21 o 45.580  10.559  347.553    114.486  315.188    210.829  361.088    136.339  35.345  14.753  43.891  12.306  -8.545753      19.21185 
1 1 1 -25 -9  22 o 27.732  10.680  127.645    101.438  -116.4358  196.601  216.195    118.417  22.519  10.991  33.908  11.773  -11.38823      16.10588 
1 1 1 -25 -9  23 o 57.979  5.3608  447.952    74.561   387.651    101.880  517.499    109.413  50.593  8.6075  59.626  7.7455  -9.033344      11.57939 
1 1 1 -25 -9  24 o 72.434  4.8559  687.216    84.851   623.927    118.050  754.862    122.045  65.751  7.5355  73.200  6.9550  -7.448944      10.25455 
1 1 1 -25 -9  25 o 32.214  7.9538  156.484    61.798   18.143     80.853   350.843    95.835   19.665  8.6742  48.121  8.5195  -28.45657      12.15830 
1 1 1 -25 -9  26 o 28.455  8.4874  126.090    63.035   99.282     83.968   160.704    95.414   25.373  9.7305  30.346  10.566  -4.973394      14.36382 
1 1 1 -25 -9  27 o 16.708  7.2717  9.9684     55.135   21.440     69.623   -9.3265    90.293   18.904  8.1992  18.981  8.6936  -0.7693100E-01 11.95014 
1 1 1 -25 -9  28 o 31.814  8.1198  154.945    62.890   208.792    82.563   80.514     97.069   35.837  9.3840  24.191  10.047  11.64661       13.74760 
1 1 1 -25 -9  29 o 21.127  8.2059  58.765     60.280   2.5635     76.738   149.325    97.411   18.336  8.2447  29.090  10.615  -10.75348      13.44047 
1 1 1 -25 -9  30 o 17.514  7.4633  20.863     55.786   111.179    72.094   -113.9106  88.068   26.264  9.1820  14.956  7.3116  11.30820       11.73755 
1 1 1 -25 -9  31 o 44.440  6.9854  284.469    72.838   303.364    98.108   261.264    108.724  42.931  9.6527  37.647  11.128  5.283707       14.73087 
1 1 1 -25 -9  32 o 45.332  9.7494  340.739    104.052  340.739    104.052  0.0000     0.0000   45.332  9.7494  ?       ?       0.000000       9.749445 
1 1 1 -25 -9  33 o 17.791  8.1008  -3.9428    76.922   -3.9428    76.922   0.0000     0.0000   17.791  8.1008  ?       ?       0.000000       8.100779 
1 1 1 -25 -9  34 o 14.650  7.0429  -67.1810   73.248   -67.1810   73.248   0.0000     0.0000   14.650  7.0429  ?       ?       0.000000       7.042927 
1 1 1 -25 -9  35 o 18.974  7.8264  40.296     58.333   0.4672     73.279   109.195    96.380   17.527  7.9519  25.183  10.182  -7.655987      12.91951 
1 1 1 -25 -9  36 o 23.562  7.2851  85.400     45.879   62.895     73.847   99.547     58.549   21.368  8.8090  24.750  8.2854  -3.381510      12.09321 
1 1 1 -25 -9  37 o 47.153  5.7053  311.168    63.949   428.392    95.441   215.666    86.146   52.769  7.6792  34.481  9.8220  18.28889       12.46765 
1 1 1 -25 -9  38 o 32.973  7.2149  167.327    56.119   219.424    85.041   127.140    74.691   34.686  9.7166  26.452  9.3385  8.234686       13.47659 
1 1 1 -25 -9  39 o 22.267  9.1830  81.293     80.288   525.663    286.587  43.447     83.637   31.576  14.809  19.972  8.8154  11.60370       17.23436 
1 1 1 -25 -9  40 o 21.916  8.7433  80.221     70.043   -103.5514  283.460  92.172     72.284   21.985  11.102  22.899  8.9605  -0.9137306     14.26663 
1 1 1 -25 -9  41 o 13.082  6.0641  -17.0103   45.845   24.054     67.226   -52.7101   62.681   17.641  7.8391  13.485  6.4906  4.156586       10.17741 
1 1 1 -25 -9  42 o 12.919  6.0023  -17.4060   45.299   11.512     72.610   -35.8340   57.963   17.154  7.8339  13.558  6.4486  3.595927       10.14667 
1 1 1 -25 -9  43 o 13.618  6.2657  -9.4682    47.633   43.630     72.607   -49.5880   63.113   18.786  8.2556  13.488  6.4970  5.298230       10.50558 
1 1 1 -25 -9  44 o 13.470  6.1808  -7.3962    45.929   22.879     71.168   -29.0046   60.125   17.368  7.8623  13.929  6.6081  3.438693       10.27043 
1 1 1 -25 -9  45 o 25.884  10.431  168.078    100.792  0.0000     0.0000   168.078    100.792  ?       ?       25.884  10.431  0.000000       10.43139 
1 1 1 -25 -9  46 o 11.628  5.8570  -164.9052  76.068   0.0000     0.0000   -164.9052  76.068   ?       ?       11.628  5.8570  0.000000       5.856965 
1 1 1 -25 -9  47 o 26.612  10.361  177.207    96.266   13.055     291.552  197.293    101.985  20.971  10.656  27.510  10.677  -6.539301      15.08471 
1 1 1 -25 -9  48 o 16.352  7.6126  4.0606     73.454   73.508     88.564   -148.9879  131.476  20.329  9.0171  15.827  7.9354  4.502064       12.01156 
1 1 1 -25 -9  49 o 16.288  7.3326  18.169     60.910   -18.5431   68.586   155.191    132.503  15.027  7.1081  23.546  10.687  -8.519296      12.83479 
1 1 1 -25 -9  50 o 24.179  8.1901  109.260    57.218   158.273    72.734   29.683     92.679   27.698  9.2344  18.447  8.5754  9.250616       12.60207 
1 1 1 -25 -9  51 o 21.014  8.0296  80.244     57.049   66.432     70.801   105.812    96.330   19.754  8.4127  22.020  9.5971  -2.266548      12.76240 
1 1 1 -25 -9  52 o 19.527  9.2903  47.117     120.493  -9.0855    311.006  57.043     130.700  ?       ?       19.972  9.5499  0.000000       9.549880 
1 1 1 -25 -9  53 o 19.079  9.1410  41.945     121.066  -9.3821    312.654  50.999     131.311  ?       ?       19.485  9.3826  0.000000       9.382567 
1 1 1 -25 -9  54 o 15.339  7.6387  -91.1947   112.925  -42.0999   308.433  -98.7943   121.351  ?       ?       15.599  7.7918  0.000000       7.791835 
1 1 1 -25 -8  1  o 16.760  6.2703  34.009     34.363   0.0000     0.0000   34.009     34.363   ?       ?       16.760  6.2703  0.000000       6.270304 
1 1 1 -25 -8  2  o 34.321  4.3766  154.433    35.618   225.423    67.031   126.504    42.044   39.237  7.3097  30.083  5.9707  9.153481       9.438292 
1 1 1 -25 -8  3  o 12.885  5.2829  11.264     26.381   39.821     53.508   2.0930     30.323   18.956  7.6141  12.544  5.4258  6.412286       9.349533 
1 1 1 -25 -8  4  o 29.364  7.7778  130.341    56.296   140.460    115.028  127.154    64.556   28.210  11.220  28.399  8.6161  -0.1891537     14.14676 
1 1 1 -25 -8  5  o 16.774  6.8271  25.534     43.651   -92.3067   139.882  38.246     45.945   19.863  9.5936  18.292  7.1476  1.571321       11.96351 
1 1 1 -25 -8  6  o 27.652  6.8463  110.513    45.692   128.022    161.445  108.988    47.640   27.935  12.293  27.293  7.1193  0.6426659      14.20547 
1 1 1 -25 -8  7  o 25.946  5.9957  94.075     36.989   57.486     54.970   124.351    50.003   20.892  7.9061  29.215  7.1191  -8.323511      10.63898 
1 1 1 -25 -8  8  o 9.3446  4.5297  -47.4302   31.866   -67.7840   50.230   -33.7207   41.224   11.769  5.7004  11.887  5.5884  -0.1184130     7.982744 
1 1 1 -25 -8  9  o 12.863  5.9550  -25.2819   44.009   26.225     61.219   -80.3662   63.309   18.602  7.8681  13.207  6.3975  5.395008       10.14075 
1 1 1 -25 -8  10 o 15.078  6.3450  12.693     39.481   -1.2590    47.924   42.164     69.652   15.070  6.6613  20.479  8.5084  -5.409492      10.80577 
1 1 1 -25 -8  11 o 17.724  6.7224  36.816     39.799   66.827     51.825   -6.3231    62.135   21.863  7.7723  16.522  7.4250  5.340382       10.74893 
1 1 1 -25 -8  12 o 19.305  7.2365  46.617     45.813   91.852     66.221   5.0938     63.447   24.766  8.7877  17.387  7.6759  7.379286       11.66805 
1 1 1 -25 -8  13 f 37.115  8.6386  210.927    76.338   236.587    92.385   155.694    135.539  38.067  9.9065  29.560  12.030  8.506689       15.58432 
1 1 1 -25 -8  14 f 18.786  8.0302  23.369     64.943   71.171     75.808   -108.4743  125.899  23.128  9.1371  18.704  9.0507  4.424040       12.86083 
1 1 1 -25 -8  15 o 43.794  8.4367  287.716    86.398   196.512    104.290  487.254    154.259  33.371  11.054  51.679  12.450  -18.30780      16.64902 
1 1 1 -25 -8  16 o 54.052  4.9807  383.753    64.588   448.394    92.769   322.946    89.976   56.580  6.9004  46.651  8.2506  9.928226       10.75583 
1 1 1 -25 -8  17 o 55.904  5.3298  414.764    71.421   463.588    115.314  384.380    90.970   55.252  8.9041  51.799  7.4525  3.453148       11.61129 
1 1 1 -25 -8  18 o 43.597  6.0886  259.866    62.651   195.000    88.874   323.943    88.332   34.303  10.038  46.921  8.0484  -12.61776      12.86647 
1 1 1 -25 -8  19 o 18.288  7.4883  30.886     52.915   43.459     71.093   15.270     79.234   20.728  8.6024  19.502  8.5954  1.225922       12.16066 
1 1 1 -25 -8  20 o 35.285  10.916  217.693    102.986  365.930    207.378  169.167    118.652  38.111  15.095  30.618  11.609  7.492760       19.04221 
1 1 1 -25 -8  21 o 21.623  9.4454  34.803     93.781   68.810     186.009  23.213     108.593  26.675  12.312  21.945  9.8422  4.729443       15.76239 
1 1 1 -25 -8  22 o 25.013  10.375  85.834     103.329  328.316    194.490  -9.5243    121.966  36.808  14.606  21.404  9.9109  15.40364       17.65069 
1 1 1 -25 -8  23 o 18.098  7.5380  27.056     54.869   60.949     71.736   -20.7280   85.176   22.056  8.8314  18.141  8.3582  3.915312       12.15949 
1 1 1 -25 -8  24 o 18.134  7.5036  28.750     53.862   -22.2281   69.781   103.889    84.718   16.494  7.5868  25.878  9.8097  -9.384424      12.40117 
1 1 1 -25 -8  25 o 24.517  8.4475  90.321     60.913   -6.6501    79.806   225.658    94.280   18.277  8.2948  36.589  10.224  -18.31183      13.16572 
1 1 1 -25 -8  26 o 24.840  8.2261  93.117     57.753   119.582    75.063   54.723     90.411   27.304  9.3791  22.457  9.5337  4.846560       13.37386 
1 1 1 -25 -8  27 o 30.671  8.1357  143.741    61.540   169.434    82.511   111.529    92.386   31.898  9.7545  26.390  10.184  5.508223       14.10211 
1 1 1 -25 -8  28 o 17.224  7.4403  14.486     56.870   18.100     73.262   9.0065     90.209   18.995  8.3215  19.835  8.9270  -0.8398323     12.20409 
1 1 1 -25 -8  29 o 27.734  8.4786  120.439    62.342   189.553    81.392   22.333     96.972   33.917  9.5074  20.906  9.3437  13.01150       13.33024 
1 1 1 -25 -8  30 o 15.792  7.1338  -8.4308    58.229   -27.7288   74.477   21.915     93.393   16.593  7.7049  20.591  9.1888  -3.998255      11.99165 
1 1 1 -25 -8  31 o 31.319  10.171  171.674    88.458   171.674    88.458   0.0000     0.0000   31.319  10.171  ?       ?       0.000000       10.17143 
1 1 1 -25 -8  32 o 26.447  10.028  118.031    88.545   118.031    88.545   0.0000     0.0000   26.447  10.028  ?       ?       0.000000       10.02794 
1 1 1 -25 -8  33 o 41.113  10.302  294.335    102.559  294.335    102.559  0.0000     0.0000   41.113  10.302  ?       ?       0.000000       10.30173 
1 1 1 -25 -8  34 o 31.990  9.6291  177.285    80.861   166.122    94.299   208.294    157.168  29.905  10.499  30.105  12.663  -0.1999989     16.44934 
1 1 1 -25 -8  35 o 37.002  6.7005  199.221    57.944   157.142    87.853   231.620    77.088   29.260  10.141  37.995  8.5663  -8.734911      13.27510 
1 1 1 -25 -8  36 o 15.569  6.7426  11.859     46.944   -74.9043   75.766   65.921     59.807   14.535  7.0304  21.222  8.1930  -6.687244      10.79592 
1 1 1 -25 -8  37 o 13.343  6.1355  -16.1807   45.586   58.169     73.804   -62.0428   57.965   20.868  8.7214  12.821  6.1881  8.047446       10.69371 
1 1 1 -25 -8  38 o 16.334  7.5788  -14.5921   71.858   496.052    274.582  -52.1354   74.452   32.378  14.949  15.022  7.1895  17.35642       16.58836 
1 1 1 -25 -8  39 o 27.690  9.3468  142.105    74.517   113.579    306.800  143.894    76.818   24.826  12.399  27.681  9.4893  -2.855118      15.61356 
1 1 1 -25 -8  40 o 25.478  9.7100  126.982    83.285   660.591    314.076  86.621     86.378   32.038  15.171  22.444  9.4115  9.594429       17.85331 
1 1 1 -25 -8  41 o 27.721  7.6536  127.350    53.173   141.372    82.344   117.321    69.638   26.446  9.7427  25.049  8.9984  1.396549       13.26238 
1 1 1 -25 -8  42 o 47.784  5.5828  327.650    63.509   176.703    93.772   455.559    86.320   28.148  10.392  54.750  6.6332  -26.60134      12.32859 
1 1 1 -25 -8  43 o 27.543  7.8610  131.181    55.125   87.879     86.814   160.437    71.358   21.755  9.2916  28.763  9.1146  -7.007999      13.01574 
1 1 1 -25 -8  44 o 25.512  9.2459  133.548    73.726   0.0000     0.0000   133.548    73.726   ?       ?       25.512  9.2459  0.000000       9.245854 
1 1 1 -25 -8  45 o 19.826  9.0863  55.707     98.843   0.0000     0.0000   55.707     98.843   ?       ?       19.826  9.0863  0.000000       9.086326 
1 1 1 -25 -8  46 o 21.558  9.4368  94.529     94.052   -12.7133   276.500  108.561    100.016  20.812  10.555  22.236  9.7325  -1.423956      14.35731 
1 1 1 -25 -8  47 o 40.535  7.2871  269.466    69.037   170.438    87.519   432.577    112.322  27.026  10.027  45.665  10.373  -18.63896      14.42746 
1 1 1 -25 -8  48 o 27.061  9.4550  156.714    76.439   159.835    86.473   145.561    163.489  26.271  9.9222  22.731  10.817  3.539375       14.67847 
1 1 1 -25 -8  49 o 15.698  7.1752  7.0800     61.080   1.5585     68.479   28.568     135.090  15.964  7.4040  19.634  9.4696  -3.670788      12.02047 
1 1 1 -25 -8  50 o 20.238  7.8409  70.991     54.929   108.296    70.066   11.501     88.478   23.177  8.8886  17.570  8.2367  5.606894       12.11819 
1 1 1 -25 -8  51 o 12.323  5.9407  -45.2268   53.014   -116.8283  64.809   99.575     92.164   11.466  5.7221  21.752  9.4341  -10.28650      11.03379 
1 1 1 -25 -8  52 o 21.074  9.8123  94.527     122.114  -18.3475   314.420  114.576    132.516  ?       ?       21.705  10.145  0.000000       10.14463 
1 1 1 -25 -8  53 o 17.224  8.3279  -6.8290    106.085  -148.4237  281.389  16.631     114.537  ?       ?       18.162  8.7497  0.000000       8.749723 
1 1 1 -25 -8  54 o 17.780  8.6403  13.837     117.893  9.7887     317.308  14.485     126.983  ?       ?       18.004  8.7972  0.000000       8.797200 
1 1 1 -25 -7  1  o 15.520  5.4795  30.078     25.716   155.470    70.072   10.562     27.644   31.100  8.8582  12.998  5.3769  18.10213       10.36235 
1 1 1 -25 -7  2  o 25.006  6.7784  90.831     42.158   58.844     66.757   112.050    54.372   21.438  8.5411  27.149  7.8252  -5.710686      11.58374 
1 1 1 -25 -7  3  o 22.880  7.1668  76.203     44.238   191.322    68.787   -4.9931    57.770   35.467  8.1625  15.996  7.1760  19.47138       10.86831 
1 1 1 -25 -7  4  o 19.022  7.3394  43.595     47.973   97.857     105.318  29.388     53.888   25.592  10.531  18.138  7.5054  7.454308       12.93226 
1 1 1 -25 -7  5  o 10.564  4.7762  -10.3010   26.164   23.638     39.774   -36.1894   34.738   16.191  6.5431  10.533  5.0045  5.658384       8.237525 
1 1 1 -25 -7  6  o 18.898  6.2347  48.414     33.187   73.966     52.027   30.885     43.093   22.651  7.8069  17.318  6.8740  5.332861       10.40190 
1 1 1 -25 -7  7  o 31.142  6.2279  135.314    45.416   172.865    68.891   106.449    60.399   33.555  8.4626  26.387  8.3882  7.168577       11.91541 
1 1 1 -25 -7  8  o 15.741  6.4773  18.907     39.837   21.458     63.902   17.286     50.950   18.518  7.9419  16.893  7.1635  1.624523       10.69528 
1 1 1 -25 -7  9  o 21.274  7.1508  63.333     43.614   60.444     57.159   67.360     67.476   21.371  8.0681  22.454  8.6929  -1.082394      11.86004 
1 1 1 -25 -7  10 o 31.975  7.0660  147.000    53.361   157.323    71.664   134.155    79.939   31.660  8.9376  28.786  9.6810  2.874594       13.17584 
1 1 1 -25 -7  11 o 30.263  7.3582  133.612    53.509   128.857    71.714   139.584    80.370   28.572  9.1463  29.331  9.7036  -0.7592182     13.33466 
1 1 1 -25 -7  12 o 18.324  7.8112  21.571     61.141   37.841     69.311   -35.4939   129.806  20.214  8.4503  21.112  9.9224  -0.8980465     13.03308 
1 1 1 -25 -7  13 f 46.682  7.6771  315.196    83.935   330.207    103.916  287.020    142.367  45.698  9.6732  37.993  12.919  7.705170       16.13901 
1 1 1 -25 -7  14 o 49.537  7.0260  345.422    82.085   335.968    102.920  361.946    136.074  46.360  9.4694  44.465  12.230  1.895706       15.46760 
1 1 1 -25 -7  15 o 14.115  6.2991  -6.9687    43.893   -3.9586    61.403   -10.1140   62.768   16.642  7.4368  16.432  7.4162  0.2100163      10.50265 
1 1 1 -25 -7  16 o 14.313  6.3505  -4.4537    43.960   115.382    60.440   -139.0518  64.055   27.584  8.3298  11.581  5.7647  16.00316       10.13006 
1 1 1 -25 -7  17 o 25.261  7.6957  93.909     51.422   55.007     69.720   140.314    76.147   21.597  8.6856  29.651  9.4177  -8.053701      12.81140 
1 1 1 -25 -7  18 o 43.600  6.3417  261.773    65.124   269.566    95.898   255.103    88.719   41.034  9.7718  40.431  9.2447  0.6031647      13.45183 
1 1 1 -25 -7  19 f 37.034  7.3364  197.468    63.594   257.163    92.416   143.778    87.645   40.199  9.6059  29.521  10.135  10.67793       13.96398 
1 1 1 -25 -7  20 o 21.892  9.6189  33.116     98.528   15.331     203.835  38.538     112.550  25.863  12.240  22.957  10.175  2.906010       15.91678 
1 1 1 -25 -7  21 o 23.505  9.8941  64.270     96.054   26.975     191.269  76.848     111.076  25.731  12.078  24.825  10.554  0.9056149      16.03912 
1 1 1 -25 -7  22 o 21.761  9.1082  49.769     80.664   296.206    207.025  5.6600     87.585   34.958  14.608  19.659  8.8264  15.29876       17.06763 
1 1 1 -25 -7  23 o 26.076  8.3544  103.243    59.825   104.088    79.584   102.145    90.713   25.950  9.5750  25.881  10.063  0.6861115E-01  13.89017 
1 1 1 -25 -7  24 o 19.091  7.9206  33.320     60.240   35.866     81.931   30.323     88.876   20.887  8.9762  21.026  9.1895  -0.1395016     12.84601 
1 1 1 -25 -7  25 f 49.779  5.9187  336.970    70.087   345.420    92.776   325.738    106.967  48.146  8.2377  44.598  10.117  3.548721       13.04681 
1 1 1 -25 -7  26 o 23.019  8.2386  76.602     58.324   80.149     75.632   71.399     91.612   23.733  9.1990  23.611  9.7793  0.1219368      13.42597 
1 1 1 -25 -7  27 o 17.119  7.4527  10.921     57.951   9.3643     73.415   13.494     94.392   18.539  8.2171  20.428  9.1679  -1.889132      12.31142 
1 1 1 -25 -7  28 o 22.596  8.4150  72.493     61.750   86.333     78.622   50.211     99.759   24.223  9.3819  22.599  9.8082  1.624540       13.57282 
1 1 1 -25 -7  29 o 15.600  7.0667  -11.0168   57.599   10.554     73.937   -44.3182   91.866   18.583  8.2409  17.650  8.3113  0.9327621      11.70430 
1 1 1 -25 -7  30 o 15.824  7.3282  -26.3764   66.719   -26.3764   66.719   0.0000     0.0000   15.824  7.3282  ?       ?       0.000000       7.328182 
1 1 1 -25 -7  31 o 22.517  9.2691  65.737     81.617   65.737     81.617   0.0000     0.0000   22.517  9.2691  ?       ?       0.000000       9.269104 
1 1 1 -25 -7  32 f 28.074  10.324  138.594    92.405   138.594    92.405   0.0000     0.0000   28.074  10.324  ?       ?       0.000000       10.32401 
1 1 1 -25 -7  33 o 38.649  9.4238  247.440    87.579   258.116    100.786  214.524    176.974  37.981  10.556  30.290  13.105  7.690704       16.82777 
1 1 1 -25 -7  34 o 9.5329  4.6815  -65.9403   37.365   -26.4209   74.179   -79.3771   43.254   16.408  7.6424  10.071  4.9636  6.337032       9.112864 
1 1 1 -25 -7  35 o 37.267  6.5675  200.712    57.218   191.242    87.715   207.726    75.490   32.503  10.077  35.653  8.7835  -3.149967      13.36783 
1 1 1 -25 -7  36 o 45.058  5.9134  285.196    63.089   318.809    95.134   258.809    84.290   43.652  9.2684  39.506  8.9948  4.145687       12.91543 
1 1 1 -25 -7  37 f 32.798  7.4284  166.211    57.745   238.322    85.661   106.148    78.178   36.882  9.5106  24.671  9.4063  12.21102       13.37642 
1 1 1 -25 -7  38 o 18.662  7.9540  36.746     63.382   92.722     275.351  33.614     65.131   24.932  12.331  18.547  7.9873  6.384514       14.69196 
1 1 1 -25 -7  39 o 12.060  5.7944  -49.2452   49.415   -397.5403  268.503  -37.0345   50.274   ?       ?       12.743  6.0447  0.000000       6.044658 
1 1 1 -25 -7  40 f 18.393  7.3742  45.396     50.088   44.492     77.875   46.033     65.413   19.593  8.5816  19.146  8.1177  0.4469509      11.81269 
1 1 1 -25 -7  41 o 20.825  7.6547  70.020     50.791   103.419    78.448   45.915     66.645   23.451  9.2852  19.029  8.1344  4.421843       12.34438 
1 1 1 -25 -7  42 o 17.533  7.1212  40.368     47.369   -43.7813   75.750   94.404     60.702   15.023  7.2065  22.974  8.3798  -7.951271      11.05239 
1 1 1 -25 -7  43 o 7.2735  3.6930  -117.5585  34.511   0.0000     0.0000   -117.5585  34.511   ?       ?       7.2735  3.6930  0.000000       3.692996 
1 1 1 -25 -7  44 o 12.690  6.1055  -45.5793   55.333   0.0000     0.0000   -45.5793   55.333   ?       ?       12.690  6.1055  0.000000       6.105525 
1 1 1 -25 -7  45 o 19.405  8.8749  48.637     93.626   72.277     272.990  45.486     99.671   21.738  10.967  19.430  8.9837  2.308010       14.17679 
1 1 1 -25 -7  46 o 18.274  7.7931  47.139     60.910   28.097     76.715   79.619     100.190  17.766  8.0894  20.835  9.3897  -3.069666      12.39375 
1 1 1 -25 -7  47 o 18.098  7.9039  42.488     65.637   54.140     72.278   -12.3229   156.761  19.051  8.3078  19.212  9.4649  -0.1608601     12.59382 
1 1 1 -25 -7  48 o 16.658  7.5201  19.721     64.585   14.819     71.041   43.072     155.052  16.788  7.6974  20.330  9.8864  -3.541805      12.52962 
1 1 1 -25 -7  49 o 20.351  8.9279  71.356     84.588   63.754     94.963   100.556    186.112  20.092  9.0901  21.822  10.660  -1.730125      14.00963 
1 1 1 -25 -7  50 o 14.554  6.7022  -3.6586    54.669   -38.9948   65.908   74.276     97.880   14.008  6.7201  20.583  9.2780  -6.575223      11.45605 
1 1 1 -25 -7  51 o 19.406  8.9190  51.905     96.170   445.267    308.720  9.6316     101.206  24.802  12.395  17.962  8.5366  6.840113       15.04989 
1 1 1 -25 -7  52 o 13.471  6.7774  -170.4826  100.368  348.771    300.762  -235.5560  106.472  23.376  11.757  12.928  6.5558  10.44855       13.46152 
1 1 1 -25 -7  53 o 22.970  10.253  153.451    116.360  -220.1028  321.792  209.642    124.805  ?       ?       25.125  10.938  0.000000       10.93757 
1 1 1 -25 -6  1  o 27.440  5.0239  101.484    32.217   20.491     58.923   136.021    38.477   17.839  7.6378  31.778  5.1678  -13.93853      9.221856 
1 1 1 -25 -6  2  o 19.553  6.1053  52.952     32.132   6.6580     64.522   68.220     37.054   17.482  7.7283  21.893  6.5022  -4.410347      10.09977 
1 1 1 -25 -6  3  o 26.575  7.8272  106.414    53.879   77.788     108.815  115.712    62.015   24.532  10.438  27.318  8.4738  -2.785887      13.44473 
1 1 1 -25 -6  4  o 28.595  6.5560  116.285    44.516   201.636    120.090  102.688    47.931   32.649  11.805  26.449  7.2519  6.200274       13.85465 
1 1 1 -25 -6  5  o 14.323  5.6858  18.426     29.486   32.956     46.811   8.8695     37.964   17.885  7.1436  14.494  6.1663  3.390332       9.436845 
1 1 1 -25 -6  6  o 12.523  5.5997  -7.8720    34.875   -12.9243   56.028   -4.6762    44.561   15.375  6.9668  14.344  6.3777  1.031319       9.445130 
1 1 1 -25 -6  7  o 70.042  4.1879  629.400    70.848   637.415    103.168  622.247    97.464   68.217  6.3042  67.769  5.9888  0.4478531      8.695333 
1 1 1 -25 -6  8  o 55.349  4.8650  401.019    64.674   355.208    103.972  429.931    82.598   47.801  9.2991  56.123  6.1672  -8.321957      11.15831 
1 1 1 -25 -6  9  o 41.641  5.8599  235.298    57.569   225.411    95.302   240.979    72.238   36.759  10.282  40.778  7.5800  -4.018997      12.77420 
1 1 1 -25 -6  10 f 38.420  6.2626  203.498    56.371   281.597    77.877   117.541    81.700   44.220  7.5279  27.261  9.7515  16.95847       12.31912 
1 1 1 -25 -6  11 o 54.300  4.8666  385.415    63.438   397.887    86.880   371.171    92.847   53.372  6.8681  50.603  7.8134  2.768345       10.40294 
1 1 1 -25 -6  12 o 42.927  7.5413  265.287    75.682   281.088    92.320   232.910    132.154  42.611  9.1987  34.877  12.410  7.734650       15.44747 
1 1 1 -25 -6  13 o 50.772  6.9046  360.390    82.854   407.440    100.267  259.100    147.117  52.804  8.0830  35.923  13.054  16.88095       15.35416 
1 1 1 -25 -6  14 o 23.699  7.7941  81.294     51.880   43.381     78.910   110.158    68.852   21.340  8.9745  26.788  8.9848  -5.447985      12.69914 
1 1 1 -25 -6  15 o 16.368  6.8254  18.142     45.059   -10.7503   62.467   49.481     65.058   16.385  7.3963  20.905  8.3962  -4.520121      11.18935 
1 1 1 -25 -6  16 o 11.872  5.6097  -38.9891   42.512   -18.2514   57.016   -64.9501   63.794   15.263  6.9591  13.926  6.6624  1.336829       9.634109 
1 1 1 -25 -6  17 o 22.769  7.9612  73.325     54.198   133.673    75.820   10.271     77.502   29.037  9.4160  19.155  8.4688  9.882124       12.66415 
1 1 1 -25 -6  18 o 60.450  5.0530  479.360    73.436   542.315    104.148  417.110    103.563  62.248  7.0179  53.203  8.2927  9.045174       10.86366 
1 1 1 -25 -6  19 o 48.836  9.5882  373.151    109.561  299.033    235.976  393.518    123.701  34.692  15.071  48.740  10.749  -14.04780      18.51131 
1 1 1 -25 -6  20 o 51.926  9.0230  410.803    109.557  178.205    233.191  476.686    124.107  30.793  14.053  55.279  9.6012  -24.48599      17.01980 
1 1 1 -25 -6  21 o 31.679  10.984  175.011    103.072  316.642    219.020  134.721    116.817  35.650  14.970  28.455  11.310  7.195175       18.76228 
1 1 1 -25 -6  22 o 34.038  8.1680  174.117    66.600   207.124    97.579   145.333    91.124   34.807  10.600  29.515  10.323  5.291754       14.79624 
1 1 1 -25 -6  23 o 52.837  6.0514  379.965    76.182   487.299    107.087  269.984    108.399  57.929  7.8184  39.548  10.931  18.38060       13.43968 
1 1 1 -25 -6  24 o 59.472  5.5541  473.074    79.219   473.713    112.873  472.453    111.211  56.207  8.5454  56.310  8.3961  -0.1031303     11.97995 
1 1 1 -25 -6  25 f 13.339  6.4255  -71.2128   61.728   -77.3324   91.165   -66.0320   83.881   16.547  7.9293  16.192  7.7169  0.3554306      11.06455 
1 1 1 -25 -6  26 o 18.361  8.0455  13.130     68.519   27.635     105.944  2.6999     89.838   21.916  9.7827  19.619  8.8619  2.296570       13.19979 
1 1 1 -25 -6  27 o 22.221  8.6231  66.226     66.518   25.401     90.812   113.487    97.709   20.813  9.1861  26.636  10.419  -5.823523      13.89048 
1 1 1 -25 -6  28 o 25.975  8.7811  104.914    65.771   80.628     92.858   129.366    93.173   24.188  9.9137  27.798  10.340  -3.609776      14.32450 
1 1 1 -25 -6  29 o 22.806  9.6433  60.840     91.915   60.840     91.915   0.0000     0.0000   22.806  9.6433  ?       ?       0.000000       9.643291 
1 1 1 -25 -6  30 o 28.324  10.632  139.869    98.957   139.869    98.957   0.0000     0.0000   28.324  10.632  ?       ?       0.000000       10.63197 
1 1 1 -25 -6  31 o 14.875  7.2649  -110.0641  86.294   -110.0641  86.294   0.0000     0.0000   14.875  7.2649  ?       ?       0.000000       7.264868 
1 1 1 -25 -6  32 o 49.802  8.8164  388.080    102.639  293.405    125.661  577.840    177.903  38.401  12.087  52.249  13.820  -13.84781      18.36006 
1 1 1 -25 -6  33 o 69.205  6.7422  682.445    111.776  814.881    146.614  498.634    172.727  72.699  8.4703  46.944  14.060  25.75557       16.41471 
1 1 1 -25 -6  34 o 65.063  5.0897  567.381    79.711   862.743    131.555  396.038    100.199  76.961  7.1257  50.342  8.5060  26.61910       11.09625 
1 1 1 -25 -6  35 o 22.271  7.9695  75.503     54.574   152.383    94.895   37.510     66.709   28.476  10.464  19.313  8.1936  9.163290       13.28996 
1 1 1 -25 -6  36 o 27.384  7.9684  120.176    56.141   101.445    96.311   129.817    69.095   24.440  10.066  27.524  8.9920  -3.083900      13.49726 
1 1 1 -25 -6  37 o 16.161  6.9305  18.033     48.654   -46.2839   81.451   53.714     60.667   15.999  7.6194  19.993  8.0803  -3.993269      11.10616 
1 1 1 -25 -6  38 o 32.060  9.9157  193.683    84.986   331.312    285.728  180.325    89.015   28.482  13.745  30.344  10.216  -1.862255      17.12587 
1 1 1 -25 -6  39 o 21.651  8.8628  74.194     74.098   214.685    280.686  63.670     76.824   26.056  12.803  20.952  8.8355  5.104031       15.55580 
1 1 1 -25 -6  40 o 12.416  5.7565  -18.2380   41.340   -12.7961   66.566   -21.6544   52.743   15.691  7.2853  13.766  6.4228  1.924306       9.712238 
1 1 1 -25 -6  41 o 17.262  7.0025  37.445     45.741   41.743     78.641   35.247     56.232   19.253  8.5205  17.693  7.5153  1.560314       11.36127 
1 1 1 -25 -6  42 o 10.999  5.4026  -74.0169   49.852   0.0000     0.0000   -74.0169   49.852   ?       ?       10.999  5.4026  0.000000       5.402635 
1 1 1 -25 -6  43 o 10.283  5.1029  -89.3724   48.643   0.0000     0.0000   -89.3724   48.643   ?       ?       10.283  5.1029  0.000000       5.102896 
1 1 1 -25 -6  44 o 19.448  8.8030  49.408     89.190   168.326    268.255  34.629     94.570   22.993  11.500  18.952  8.7585  4.040949       14.45557 
1 1 1 -25 -6  45 o 22.408  8.3863  94.314     61.479   91.947     76.630   98.588     102.989  21.734  8.9683  21.840  9.7038  -0.1056995     13.21343 
1 1 1 -25 -6  46 o 15.097  6.8689  4.7874     55.172   67.711     67.130   -126.1842  96.850   19.949  8.3258  14.212  7.0770  5.736564       10.92717 
1 1 1 -25 -6  47 o 20.180  8.4778  70.774     70.297   -16.4672   77.714   463.467    164.879  15.857  7.5197  35.715  13.650  -19.85887      15.58416 
1 1 1 -25 -6  48 o 19.720  8.3233  64.215     68.274   67.838     75.387   47.690     161.010  20.044  8.6122  20.583  10.024  -0.5389996     13.21562 
1 1 1 -25 -6  49 o 15.343  6.9276  8.8289     54.840   35.301     69.105   -36.1984   90.127   17.873  7.9447  16.052  7.7401  1.821087       11.09177 
1 1 1 -25 -6  50 o 14.198  6.5795  -8.7759    53.916   -8.4245    64.517   -9.5895    98.172   15.191  7.0928  17.308  8.2762  -2.116763      10.89972 
1 1 1 -25 -6  51 o 18.691  8.8867  23.530     109.906  -257.1215  262.280  83.307     121.046  ?       ?       20.892  9.7415  0.000000       9.741479 
1 1 1 -25 -6  52 o 21.592  9.8260  110.297    112.982  462.820    238.442  8.2344     128.299  26.575  12.758  18.509  8.9990  8.065380       15.61225 
1 1 1 -25 -6  53 o 20.145  9.3619  85.653     110.313  197.354    222.024  49.040     127.114  21.721  10.800  19.112  9.2099  2.609192       14.19358 
1 1 1 -25 -5  1  o 13.205  5.4515  11.047     28.334   -39.1279   63.729   23.409     31.632   14.905  6.9881  15.202  5.9334  -0.2977419     9.167277 
1 1 1 -25 -5  2  o 40.190  6.9986  230.552    65.769   229.138    131.390  231.024    75.972   33.977  12.338  39.094  8.2673  -5.117470      14.85213 
1 1 1 -25 -5  3  o 32.641  6.1483  147.977    46.908   400.230    119.595  102.115    50.994   49.323  10.324  26.215  7.5846  23.10748       12.81090 
1 1 1 -25 -5  4  o 31.356  5.3518  132.630    39.256   176.637    57.528   94.281     53.702   35.146  6.9919  25.138  7.8999  10.00837       10.54967 
1 1 1 -25 -5  5  o 9.6718  4.6087  -33.9422   29.891   6.3306     46.615   -62.0636   38.953   15.488  6.7133  10.084  4.9153  5.403787       8.320374 
1 1 1 -25 -5  6  f 53.932  4.5438  377.405    58.907   424.943    86.914   337.014    80.115   55.354  6.6013  48.932  6.9423  6.421448       9.579847 
1 1 1 -25 -5  7  o 22.426  7.0529  71.632     42.795   52.900     70.184   82.719     53.994   21.416  8.6786  23.797  7.9566  -2.381144      11.77396 
1 1 1 -25 -5  8  o 44.449  4.9174  259.533    52.146   308.662    76.495   216.883    71.273   46.869  6.9360  38.377  7.9168  8.491344       10.52533 
1 1 1 -25 -5  9  o 41.601  5.2247  229.653    51.575   313.441    75.103   154.875    70.950   47.461  6.7086  31.545  8.8887  15.91614       11.13621 
1 1 1 -25 -5  10 o 21.547  7.4360  64.312     47.209   85.740     62.393   35.615     72.203   24.232  8.5372  20.325  8.5680  3.907228       12.09527 
1 1 1 -25 -5  11 o 20.363  7.8898  50.029     55.618   30.068     62.636   124.432    120.929  19.158  8.0229  27.988  11.374  -8.830654      13.91894 
1 1 1 -25 -5  12 o 20.396  8.2288  45.033     62.798   59.277     73.803   7.6686     119.533  22.226  8.9370  22.150  10.091  0.7546806E-01  13.47922 
1 1 1 -25 -5  13 o 45.665  7.5009  298.238    80.224   320.986    95.646   244.260    147.335  46.058  8.8804  35.089  13.012  10.96865       15.75350 
1 1 1 -25 -5  14 o 41.425  6.0392  233.341    58.917   314.508    85.652   160.444    81.171   46.592  7.8557  31.596  9.6772  14.99652       12.46433 
1 1 1 -25 -5  15 o 20.281  7.5794  52.121     50.183   -5.2784    74.254   100.379    68.085   18.009  8.1028  25.829  8.9291  -7.820295      12.05754 
1 1 1 -25 -5  16 o 41.079  6.5337  233.524    62.944   222.908    88.756   244.265    89.279   37.374  9.7022  39.464  9.4489  -2.090229      13.54303 
1 1 1 -25 -5  17 o 43.194  6.5751  258.262    66.736   265.596    101.557  252.688    88.535   40.221  10.347  40.367  9.2388  -0.1466408     13.87140 
1 1 1 -25 -5  18 o 15.270  6.9296  -15.2413   55.684   -104.9543  82.888   58.547     75.173   14.900  7.2418  22.237  8.9921  -7.336423      11.54560 
1 1 1 -25 -5  19 o 24.164  9.7153  77.491     87.206   -13.7732   213.955  95.674     95.499   25.705  12.271  25.707  10.224  -0.1276016E-02 15.97215 
1 1 1 -25 -5  20 o 19.038  8.6767  -10.5959   88.513   119.879    201.220  -41.9000   98.561   28.868  13.128  18.608  8.7137  10.25997       15.75674 
1 1 1 -25 -5  21 o 51.243  7.6559  378.177    92.272   336.136    236.743  385.707    100.196  35.953  15.349  50.987  8.3908  -15.03429      17.49301 
1 1 1 -25 -5  22 o 49.327  6.3054  333.907    73.740   369.803    109.728  304.345    99.579   48.432  9.6758  43.857  9.6220  4.574951       13.64562 
1 1 1 -25 -5  23 o 28.336  8.7685  124.669    66.449   41.937     100.421  189.109    88.627   22.450  9.7911  33.751  10.063  -11.30066      14.04050 
1 1 1 -25 -5  24 o 48.791  6.6741  331.885    76.941   353.628    109.528  310.704    108.107  46.918  9.9306  43.269  10.421  3.649231       14.39506 
1 1 1 -25 -5  25 o 21.979  8.6184  62.414     66.976   107.791    97.780   22.305     91.928   26.364  10.389  20.813  9.2115  5.550615       13.88483 
1 1 1 -25 -5  26 o 33.636  8.6061  174.901    70.527   193.149    99.963   156.815    99.517   33.161  10.815  30.065  10.762  3.096268       15.25683 
1 1 1 -25 -5  27 o 33.891  8.6504  178.339    71.376   157.941    104.314  196.298    97.875   29.935  10.975  33.506  10.681  -3.570627      15.31438 
1 1 1 -25 -5  28 o 51.096  9.5313  414.011    113.821  414.011    113.821  0.0000     0.0000   51.096  9.5313  ?       ?       0.000000       9.531272 
1 1 1 -25 -5  29 o 26.293  10.389  110.701    98.018   110.701    98.018   0.0000     0.0000   26.293  10.389  ?       ?       0.000000       10.38903 
1 1 1 -25 -5  30 o 26.171  10.379  110.509    98.152   110.509    98.152   0.0000     0.0000   26.171  10.379  ?       ?       0.000000       10.37854 
1 1 1 -25 -5  31 o 12.671  6.3146  -159.8789  77.756   -185.6841  94.723   -106.5653  136.152  13.935  6.9485  19.107  9.2850  -5.171723      11.59712 
1 1 1 -25 -5  32 o 30.511  10.035  162.535    86.003   282.853    118.095  26.666     125.495  38.382  11.656  22.385  10.251  15.99749       15.52223 
1 1 1 -25 -5  33 o 67.511  5.1646  610.412    83.960   650.179    128.616  580.882    110.834  65.123  8.3304  62.883  7.4059  2.239532       11.14645 
1 1 1 -25 -5  34 o 50.183  6.0727  352.019    72.440   500.963    108.011  230.257    97.659   57.411  7.9685  35.432  10.563  21.97915       13.23187 
1 1 1 -25 -5  35 o 46.542  6.5261  310.978    71.674   333.887    105.088  291.053    98.006   43.733  10.106  40.853  9.9739  2.880260       14.19898 
1 1 1 -25 -5  36 o 13.203  6.3084  -49.9725   56.800   16.079     84.261   -104.9854  76.898   19.032  8.5909  13.720  6.7334  5.311890       10.91523 
1 1 1 -25 -5  37 o 16.140  7.6031  -31.6824   77.012   -670.2966  212.036  65.365     82.657   ?       ?       21.603  9.1403  0.000000       9.140285 
1 1 1 -25 -5  38 o 21.127  9.3633  53.818     95.304   -31.3589   226.662  72.111     105.041  22.498  11.138  22.320  9.8641  0.1777554      14.87805 
1 1 1 -25 -5  39 o 16.533  7.2695  16.291     56.362   49.664     81.453   -14.3676   78.070   20.180  8.8091  16.714  7.8033  3.466002       11.76831 
1 1 1 -25 -5  40 o 17.209  7.5380  23.553     60.100   101.923    89.107   -41.8512   81.403   23.355  9.6567  15.779  7.5428  7.575810       12.25336 
1 1 1 -25 -5  41 o 18.540  8.3460  29.166     78.900   0.0000     0.0000   29.166     78.900   ?       ?       18.540  8.3460  0.000000       8.346012 
1 1 1 -25 -5  42 f 14.716  7.1159  -56.1516   77.499   0.0000     0.0000   -56.1516   77.499   ?       ?       14.716  7.1159  0.000000       7.115896 
1 1 1 -25 -5  43 o 23.123  9.4308  109.112    83.517   237.288    249.133  92.885     88.646   24.360  11.988  21.961  9.3845  2.399220       15.22424 
1 1 1 -25 -5  44 o 24.323  8.8827  116.915    68.237   141.074    74.769   -3.5100    166.933  26.091  9.3291  19.871  9.7851  6.220156       13.51964 
1 1 1 -25 -5  45 o 13.783  6.4857  -21.1089   55.756   -91.6566   68.358   119.111    96.373   12.562  6.2004  23.062  9.8181  -10.49927      11.61206 
1 1 1 -25 -5  46 o 19.443  8.3079  60.076     69.465   44.375     76.568   133.122    165.151  18.657  8.3231  22.577  10.779  -3.920002      13.61808 
1 1 1 -25 -5  47 o 13.707  6.6282  -51.1752   67.259   -24.6311   74.443   -169.1287  156.927  15.318  7.2921  16.809  8.4591  -1.490371      11.16833 
1 1 1 -25 -5  48 o 16.946  7.4511  28.573     59.211   28.827     73.825   28.116     99.139   17.742  8.0218  18.748  8.7663  -1.006193      11.88267 
1 1 1 -25 -5  49 o 17.005  7.3676  31.984     56.093   55.335     68.203   -16.8238   98.606   19.136  8.2058  17.165  8.2309  1.970438       11.62253 
1 1 1 -25 -5  50 o 15.613  7.1051  8.2980     59.070   -8.6369    71.984   43.212     103.359  15.754  7.3994  19.345  9.0140  -3.591303      11.66205 
1 1 1 -25 -5  51 o 24.287  10.552  163.437    115.692  -15.3737   226.250  226.745    134.624  20.058  10.103  26.267  11.397  -6.208941      15.23013 
1 1 1 -25 -5  52 o 17.879  8.6166  6.6160     111.327  244.982    208.301  -88.6954   131.717  23.246  11.339  16.541  8.2392  6.705238       14.01592 
1 1 1 -25 -5  53 o 20.411  9.5073  97.942     114.824  181.194    205.490  60.146     138.457  21.425  10.606  19.350  9.3943  2.074038       14.16861 
1 1 1 -25 -4  1  o 16.818  6.5785  30.100     38.950   -41.0898   89.868   46.566     43.221   17.671  8.2892  19.081  7.0531  -1.410791      10.88384 
1 1 1 -25 -4  2  o 24.883  7.8244  92.210     52.672   120.996    110.038  83.654     59.991   27.282  10.933  23.814  8.3731  3.468557       13.77090 
1 1 1 -25 -4  3  o 15.128  5.9520  22.078     32.044   17.364     47.329   26.069     43.541   16.492  6.9437  16.889  6.8386  -0.3968792     9.745810 
1 1 1 -25 -4  4  o 34.502  5.2381  159.223    42.473   141.799    63.775   173.111    56.937   30.438  8.3730  34.826  6.9811  -4.387186      10.90151 
1 1 1 -25 -4  5  o 39.627  5.1905  208.748    48.708   224.289    73.924   196.824    64.750   38.829  8.1080  36.805  7.5050  2.024574       11.04830 
1 1 1 -25 -4  6  o 26.267  6.4320  97.386     40.666   76.825     60.261   114.579    55.106   23.208  8.3670  27.724  7.8411  -4.516129      11.46689 
1 1 1 -25 -4  7  o 50.651  4.6388  333.500    56.378   303.542    82.192   360.120    77.478   45.837  7.6604  51.206  6.3737  -5.369408      9.965226 
1 1 1 -25 -4  8  o 28.043  6.7060  111.654    45.015   134.633    68.310   94.017     59.847   29.460  8.8464  25.135  8.3762  4.324865       12.18279 
1 1 1 -25 -4  9  o 47.176  4.8677  291.156    54.920   264.116    78.786   316.715    76.596   42.526  7.9270  47.660  6.8178  -5.134113      10.45566 
1 1 1 -25 -4  10 o 41.381  5.7164  230.439    55.865   200.768    82.609   255.444    75.834   35.658  9.4106  42.009  7.7244  -6.351116      12.17474 
1 1 1 -25 -4  11 o 37.187  9.2006  215.091    82.563   175.916    103.195  284.772    137.628  31.988  10.997  38.569  12.695  -6.580462      16.79562 
1 1 1 -25 -4  12 o 19.796  8.5336  24.173     74.493   -2.9525    92.914   72.983     124.637  19.843  8.9831  25.384  10.990  -5.540831      14.19418 
1 1 1 -25 -4  13 o 37.577  7.7617  205.339    68.426   168.717    108.444  229.564    88.200   31.273  11.230  38.157  9.5492  -6.883677      14.74085 
1 1 1 -25 -4  14 o 22.373  7.8633  69.588     52.905   68.792     79.144   70.231     71.134   23.278  9.2917  23.060  8.9260  0.2176342      12.88447 
1 1 1 -25 -4  15 o 25.358  7.9707  94.541     54.665   62.099     82.477   119.959    73.003   22.937  9.3653  27.817  9.2504  -4.879879      13.16354 
1 1 1 -25 -4  16 o 35.062  7.9315  180.806    65.899   173.268    99.485   186.699    87.966   31.959  10.800  33.857  10.010  -1.898239      14.72498 
1 1 1 -25 -4  17 o 15.085  6.9340  -24.5058   58.153   -116.2559  85.245   55.362     79.534   14.852  7.2461  22.278  9.1580  -7.426698      11.67800 
1 1 1 -25 -4  18 o 44.841  10.042  321.463    106.547  239.901    240.358  341.410    118.863  32.975  14.726  45.129  10.963  -12.15342      18.35910 
1 1 1 -25 -4  19 o 34.442  10.650  201.001    98.048   418.535    225.995  150.561    108.824  40.279  15.820  29.784  11.155  10.49481       19.35723 
1 1 1 -25 -4  20 o 53.416  9.2829  437.838    115.947  767.560    238.753  336.075    132.639  58.146  16.278  42.939  12.172  15.20729       20.32582 
1 1 1 -25 -4  21 o 18.700  7.9018  25.503     61.643   86.284     94.254   -19.9260   81.487   24.977  10.080  17.942  8.2329  7.034914       13.01477 
1 1 1 -25 -4  22 o 51.148  6.2765  358.214    76.260   389.876    114.101  332.651    102.523  49.613  9.8257  46.112  9.4799  3.501587       13.65332 
1 1 1 -25 -4  23 o 32.194  8.5420  159.017    67.828   110.819    97.687   203.885    94.251   26.697  10.425  34.778  10.379  -8.080683      14.71098 
1 1 1 -25 -4  24 o 50.165  6.4007  347.019    76.134   383.633    109.749  313.054    105.705  49.499  9.4830  43.809  10.144  5.690495       13.88635 
1 1 1 -25 -4  25 o 41.965  7.5479  255.358    74.031   273.801    105.969  237.775    103.468  40.095  10.695  37.030  10.830  3.064995       15.22085 
1 1 1 -25 -4  26 o 23.993  8.9099  84.096     69.131   120.243    95.560   44.406     100.132  27.239  10.396  22.464  9.7876  4.775427       14.27857 
1 1 1 -25 -4  27 o 26.331  10.386  108.767    97.808   108.767    97.808   0.0000     0.0000   26.331  10.386  ?       ?       0.000000       10.38626 
1 1 1 -25 -4  28 o 21.904  9.5389  41.344     95.001   41.344     95.001   0.0000     0.0000   21.904  9.5389  ?       ?       0.000000       9.538895 
1 1 1 -25 -4  29 o 14.321  7.0586  -138.5997  87.530   -138.5997  87.530   0.0000     0.0000   14.321  7.0586  ?       ?       0.000000       7.058589 
1 1 1 -25 -4  30 o 39.914  10.370  272.532    101.336  358.240    124.172  101.627    175.344  44.558  11.430  26.856  12.229  17.70140       16.73892 
1 1 1 -25 -4  31 o 26.435  10.240  116.156    93.670   160.914    114.198  24.127     163.752  29.350  11.324  23.953  11.221  5.397392       15.94207 
1 1 1 -25 -4  32 f 15.265  7.2005  -43.6065   69.481   17.471     105.952  -89.6916   92.034   20.993  9.5388  15.985  7.7360  5.007665       12.28146 
1 1 1 -25 -4  33 o 46.462  6.4531  305.711    70.785   297.108    113.495  311.187    90.556   39.832  11.249  44.418  8.7134  -4.586769      14.22873 
1 1 1 -25 -4  34 o 21.163  8.3017  62.190     62.165   66.541     93.140   58.696     83.481   22.575  9.6324  21.728  9.1890  0.8467884      13.31245 
1 1 1 -25 -4  35 o 16.339  7.3068  3.0318     59.387   18.498     88.662   -9.5536    79.980   19.563  8.8231  17.580  8.0996  1.983406       11.97712 
1 1 1 -25 -4  36 o 29.846  8.6335  149.073    66.080   206.317    98.123   101.567    89.388   32.400  10.722  24.347  9.8195  8.053484       14.53905 
1 1 1 -25 -4  37 o 21.337  9.3802  55.524     93.814   -144.6203  224.219  97.996     103.289  21.146  10.567  23.887  10.167  -2.740574      14.66360 
1 1 1 -25 -4  38 o 18.079  8.3597  0.3718     86.335   97.523     227.422  -15.9868   93.322   24.502  11.928  17.885  8.4082  6.616297       14.59382 
1 1 1 -25 -4  39 f 16.296  7.2703  10.357     58.431   23.794     82.252   -3.3321    83.020   18.757  8.4753  17.529  8.1379  1.227846       11.74973 
1 1 1 -25 -4  40 o 31.800  10.336  208.876    91.333   0.0000     0.0000   208.876    91.333   ?       ?       31.800  10.336  0.000000       10.33582 
1 1 1 -25 -4  41 o 26.951  10.055  154.815    88.239   0.0000     0.0000   154.815    88.239   ?       ?       26.951  10.055  0.000000       10.05475 
1 1 1 -25 -4  42 o 26.850  9.8298  153.377    83.637   172.595    252.338  151.005    88.648   23.748  11.756  26.255  10.015  -2.507299      15.44354 
1 1 1 -25 -4  43 f 37.703  9.3006  268.519    84.558   268.550    100.369  268.443    156.953  34.515  10.792  27.853  12.192  6.661638       16.28235 
1 1 1 -25 -4  44 o 16.957  7.3660  30.540     56.359   34.176     69.221   23.389     97.069   17.874  7.9478  18.557  8.6762  -0.6833687     11.76622 
1 1 1 -25 -4  45 o 12.961  6.1778  -34.0491   53.798   -41.8797   66.323   -18.9849   91.989   13.971  6.7126  16.727  8.0019  -2.756148      10.44465 
1 1 1 -25 -4  46 o 16.289  7.4434  10.988     65.682   87.068     73.394   -295.0344  147.199  21.413  8.7993  14.857  7.5513  6.556426       11.59528 
1 1 1 -25 -4  47 o 17.802  7.9228  34.237     68.931   34.623     75.705   32.364     166.724  18.125  8.1659  20.405  9.9936  -2.279818      12.90557 
1 1 1 -25 -4  48 o 31.042  8.5060  176.673    65.966   70.981     82.658   362.059    109.473  20.405  8.8915  40.663  10.881  -20.25875      14.05208 
1 1 1 -25 -4  49 o 22.959  8.3811  99.251     60.739   104.936    74.785   88.235     104.110  22.798  9.0535  21.363  9.6048  1.435141       13.19920 
1 1 1 -25 -4  50 f 28.514  11.562  246.371    124.659  382.010    229.835  189.838    148.380  26.405  12.636  24.416  11.169  1.989300       16.86452 
1 1 1 -25 -4  51 f 20.835  9.6001  87.224     112.375  -225.8666  223.535  193.110    129.995  ?       ?       24.837  10.975  0.000000       10.97505 
1 1 1 -25 -4  52 o 21.759  10.033  126.586    123.049  -13.0097   244.684  173.841    142.361  19.637  9.9563  22.942  10.653  -3.305143      14.58118 
1 1 1 -25 -3  1  o 29.215  7.5082  126.226    53.513   145.269    118.839  121.383    59.933   28.848  11.426  28.170  8.2434  0.6774960      14.08956 
1 1 1 -25 -3  2  o 37.357  4.6476  182.881    41.217   183.187    62.305   182.643    54.962   35.440  7.4805  36.122  6.5104  -0.6821098     9.916844 
1 1 1 -25 -3  3  o 30.893  5.4364  129.031    39.262   177.438    58.789   90.059     52.751   35.159  7.1352  24.677  7.8385  10.48171       10.59967 
1 1 1 -25 -3  4  o 21.399  6.9603  64.260     41.416   85.975     61.837   46.595     55.772   24.175  8.5009  19.971  7.8539  4.204012       11.57362 
1 1 1 -25 -3  5  o 30.593  6.1299  129.628    43.918   95.310     66.613   156.014    58.411   25.195  8.8251  32.679  7.5223  -7.483992      11.59604 
1 1 1 -25 -3  6  o 27.650  6.5767  108.137    43.480   59.130     66.320   145.080    57.582   21.772  8.5637  31.431  7.6276  -9.659039      11.46812 
1 1 1 -25 -3  7  o 34.085  6.4449  161.681    51.349   160.321    83.315   162.515    65.206   31.390  9.8358  32.914  8.1960  -1.523855      12.80306 
1 1 1 -25 -3  8  o 25.070  7.4465  91.384     48.598   132.120    79.599   67.177     61.361   28.795  9.6605  22.343  8.3751  6.451256       12.78544 
1 1 1 -25 -3  9  o 27.075  7.4286  106.784    50.275   134.517    79.892   88.601     64.690   29.055  9.6777  24.608  8.6904  4.446835       13.00700 
1 1 1 -25 -3  10 o 30.732  9.6344  150.963    79.927   86.462     99.321   269.495    134.641  25.274  10.294  37.693  12.564  -12.41822      16.24221 
1 1 1 -25 -3  11 o 56.766  7.3462  454.942    98.811   451.538    122.157  461.385    168.055  53.934  9.6908  48.677  13.667  5.256824       16.75444 
1 1 1 -25 -3  12 o 42.933  8.9226  279.348    89.914   264.232    111.026  308.155    153.270  39.297  11.135  39.232  13.404  0.6439590E-01  17.42609 
1 1 1 -25 -3  13 f 18.946  7.7541  33.043     56.706   41.012     79.356   24.728     81.059   21.311  8.9831  20.397  8.8468  0.9145813      12.60802 
1 1 1 -25 -3  14 o 18.317  7.5082  29.436     53.270   55.104     76.273   4.9931     74.430   22.119  9.0160  18.648  8.2692  3.471323       12.23384 
1 1 1 -25 -3  15 o 39.564  7.2009  221.767    66.581   280.892    94.561   163.634    93.765   42.578  9.4041  31.394  10.485  11.18376       14.08458 
1 1 1 -25 -3  16 o 37.228  7.2802  197.571    63.406   124.323    87.623   278.088    91.868   28.034  10.091  42.592  9.1614  -14.55722      13.62957 
1 1 1 -25 -3  17 o 60.799  5.8980  496.201    85.914   472.957    108.090  536.083    141.582  57.155  8.0144  57.799  10.481  -0.6438789     13.19432 
1 1 1 -25 -3  18 o 42.357  10.973  302.521    113.680  343.397    237.573  290.382    129.464  36.709  15.512  39.729  12.230  -3.019871      19.75350 
1 1 1 -25 -3  19 o 37.569  10.773  238.910    103.287  426.359    233.912  193.509    115.118  40.234  16.001  32.901  11.596  7.333431       19.76093 
1 1 1 -25 -3  20 o 32.597  8.1064  158.659    63.847   127.817    88.881   191.542    91.775   28.202  10.162  33.960  10.266  -5.758600      14.44545 
1 1 1 -25 -3  21 o 31.340  8.2056  147.874    63.133   127.990    89.167   167.862    89.399   28.169  10.174  31.783  10.216  -3.613516      14.41811 
1 1 1 -25 -3  22 f 29.083  8.4205  129.030    62.833   134.044    89.560   124.171    88.174   28.641  10.214  27.808  10.106  0.8330631      14.36839 
1 1 1 -25 -3  23 o 30.389  8.3890  140.924    63.887   76.073     90.080   206.559    90.623   24.064  9.8021  35.352  10.075  -11.28825      14.05681 
1 1 1 -25 -3  24 o 22.767  8.3464  72.831     60.328   52.915     82.592   95.609     88.329   22.099  9.2301  25.397  9.9142  -3.297691      13.54570 
1 1 1 -25 -3  25 o 34.321  8.0119  176.159    65.508   133.370    90.345   223.593    95.123   28.412  10.244  36.485  10.296  -8.073843      14.52443 
1 1 1 -25 -3  26 o 38.266  10.186  243.908    96.245   243.908    96.245   0.0000     0.0000   38.266  10.186  ?       ?       0.000000       10.18575 
1 1 1 -25 -3  27 o 15.291  7.2940  -64.1377   75.290   -64.1377   75.290   0.0000     0.0000   15.291  7.2940  ?       ?       0.000000       7.294025 
1 1 1 -25 -3  28 o 25.958  9.9187  105.954    87.048   105.954    87.048   0.0000     0.0000   25.958  9.9187  ?       ?       0.000000       9.918691 
1 1 1 -25 -3  29 o 23.023  8.5528  76.684     63.713   33.166     85.534   130.928    95.495   20.794  9.0536  27.800  10.443  -7.005939      13.82082 
1 1 1 -25 -3  30 o 33.037  10.047  186.971    87.705   180.969    104.621  201.161    160.870  31.370  11.055  30.829  12.879  0.5408916      16.97310 
1 1 1 -25 -3  31 o 20.192  8.4872  41.313     70.513   30.051     100.192  52.366     99.255   21.338  9.5199  22.435  9.7602  -1.097109      13.63418 
1 1 1 -25 -3  32 o 22.601  8.1520  75.897     57.215   -23.1167   97.501   127.899    70.660   18.726  8.7353  27.862  9.0928  -9.136158      12.60892 
1 1 1 -25 -3  33 o 54.138  5.9811  406.568    77.255   368.535    112.978  439.972    105.879  46.159  10.344  53.233  8.4818  -7.074528      13.37650 
1 1 1 -25 -3  34 o 23.157  8.3827  83.319     60.577   14.003     87.357   147.525    84.075   19.368  8.7444  28.707  9.9225  -9.339193      13.22580 
1 1 1 -25 -3  35 f 14.094  6.6240  -34.0669   57.848   35.195     88.917   -84.8963   76.172   20.384  9.0385  14.279  6.9404  6.104748       11.39579 
1 1 1 -25 -3  36 o 14.522  7.1069  -100.5939  83.835   -67.4004   211.890  -106.7544  91.283   22.121  10.918  15.064  7.3812  7.057007       13.17883 
1 1 1 -25 -3  37 o 22.527  9.7466  76.535     97.894   483.828    230.581  -13.0190   108.121  35.048  15.060  19.037  8.9804  16.01059       17.53443 
1 1 1 -25 -3  38 o 25.270  8.7201  111.862    64.921   70.099     95.493   147.752    88.525   21.866  9.5419  27.273  10.091  -5.406452      13.88836 
1 1 1 -25 -3  39 f 18.825  8.4423  28.662     79.885   0.0000     0.0000   28.662     79.885   ?       ?       18.825  8.4423  0.000000       8.442279 
1 1 1 -25 -3  40 o 17.966  8.3082  8.1616     85.296   0.0000     0.0000   8.1616     85.296   ?       ?       17.966  8.3082  0.000000       8.308234 
1 1 1 -25 -3  41 o 12.070  6.0420  -146.5961  74.746   0.0000     0.0000   -146.5961  74.746   ?       ?       12.070  6.0420  0.000000       6.041950 
1 1 1 -25 -3  42 o 16.631  7.3782  20.683     59.320   -15.7006   83.535   57.695     84.252   16.554  7.8347  19.975  8.8306  -3.420563      11.80511 
1 1 1 -25 -3  43 o 17.183  7.6506  25.939     64.349   -1.6921    71.538   143.064    147.286  16.193  7.5296  23.437  10.866  -7.244717      13.21996 
1 1 1 -25 -3  44 o 19.605  8.0324  62.740     60.931   80.334     79.004   36.914     95.719   20.976  8.9089  19.027  8.7997  1.948698       12.52209 
1 1 1 -25 -3  45 o 31.369  8.4235  179.214    65.468   104.026    82.379   308.104    107.858  22.480  9.2892  36.057  11.174  -13.57658      14.53067 
1 1 1 -25 -3  46 o 13.815  6.6246  -39.7228   63.896   -53.4046   71.398   15.313     143.198  14.037  6.7982  19.608  9.5273  -5.571498      11.70408 
1 1 1 -25 -3  47 o 15.210  7.0807  -7.5281    63.554   54.656     72.477   -214.4531  132.210  19.218  8.3504  15.065  7.6042  4.152614       11.29394 
1 1 1 -25 -3  48 o 11.881  5.7832  -59.7361   53.412   -53.6444   64.840   -72.5961   94.209   13.415  6.4923  15.328  7.5082  -1.913700      9.925905 
1 1 1 -25 -3  49 o 16.364  7.2546  21.996     57.251   10.802     69.981   44.649     99.553   16.567  7.6120  19.378  8.9661  -2.810541      11.76152 
1 1 1 -25 -3  50 o 27.418  11.227  221.279    118.954  30.891     233.291  288.170    138.281  20.775  10.437  29.270  12.059  -8.495752      15.94828 
1 1 1 -25 -3  51 o 24.621  10.763  183.910    121.970  169.451    229.372  189.610    144.020  21.996  10.943  23.864  10.948  -1.867615      15.47934 
1 1 1 -25 -3  52 o 13.747  6.9113  -153.9944  103.348  -152.3661  196.197  -154.6197  121.584  17.423  8.8421  14.796  7.4462  2.626689       11.55978 
1 1 1 -25 -2  1  o 27.743  5.4302  104.643    35.245   111.069    55.615   100.329    45.563   27.174  7.9378  26.314  7.0101  0.8595581      10.59010 
1 1 1 -25 -2  2  o 21.389  6.3888  64.157     35.698   103.690    53.630   32.704     47.835   26.366  7.8206  17.989  7.2085  8.377844       10.63596 
1 1 1 -25 -2  3  o 13.847  5.9339  5.4813     35.620   -30.9185   50.799   40.691     49.961   13.631  6.3408  18.979  7.4432  -5.347477      9.777869 
1 1 1 -25 -2  4  o 43.261  4.8566  245.530    50.099   301.219    70.485   188.669    71.223   46.771  6.3771  35.281  8.4341  11.48992       10.57363 
1 1 1 -25 -2  5  o 17.074  6.7617  29.189     41.609   57.040     67.327   11.978     52.926   21.648  8.5923  16.759  7.2087  4.888779       11.21575 
1 1 1 -25 -2  6  o 32.655  6.5054  149.018    49.735   223.486    77.907   97.794     64.614   38.460  8.5679  25.528  8.7031  12.93233       12.21284 
1 1 1 -25 -2  7  o 40.323  5.8086  219.657    55.192   223.275    87.745   217.289    70.995   37.484  9.6041  38.558  7.8551  -1.073769      12.40728 
1 1 1 -25 -2  8  o 59.792  4.6563  463.109    67.021   430.787    101.377  488.203    89.328   54.633  7.8750  59.946  6.2324  -5.313709      10.04282 
1 1 1 -25 -2  9  o 22.703  8.7386  67.719     67.882   81.930     81.759   36.185     121.792  24.407  9.5355  23.558  10.504  0.8491955      14.18683 
1 1 1 -25 -2  10 o 48.515  7.4862  334.884    85.290   406.244    102.834  177.599    152.669  52.627  8.3305  31.228  12.745  21.39925       15.22620 
1 1 1 -25 -2  11 o 70.375  6.5141  676.450    109.971  726.109    135.800  581.846    187.438  70.957  8.0287  54.726  14.045  16.23176       16.17804 
1 1 1 -25 -2  12 o 83.551  4.4698  896.638    90.287   896.161    124.973  897.160    130.581  81.232  6.3922  80.834  6.7186  0.3984070      9.273550 
1 1 1 -25 -2  13 o 44.359  6.0550  266.509    63.470   278.861    86.672   252.226    93.204   43.287  8.5554  39.997  9.7030  3.289608       12.93607 
1 1 1 -25 -2  14 o 51.946  5.5834  358.961    69.269   195.867    95.434   540.556    100.701  34.332  10.489  62.657  6.7292  -28.32470      12.46220 
1 1 1 -25 -2  15 o 80.199  4.6799  830.747    90.674   702.180    127.693  961.509    128.778  70.350  7.6014  84.208  6.3494  -13.85748      9.904388 
1 1 1 -25 -2  16 o 78.290  4.7705  793.834    90.190   878.859    128.912  712.315    126.226  79.999  6.7029  71.063  7.4304  8.936707       10.00704 
1 1 1 -25 -2  17 o 66.659  8.2566  647.601    130.685  834.633    272.016  591.477    149.008  57.541  17.730  60.787  10.481  -3.246906      20.59663 
1 1 1 -25 -2  18 o 27.670  10.820  119.922    105.332  1.3846     226.903  152.484    118.923  26.602  12.682  29.903  11.551  -3.301029      17.15359 
1 1 1 -25 -2  19 o 74.416  8.1884  806.278    145.406  782.564    282.157  814.853    169.671  52.874  18.183  72.112  9.9630  -19.23780      20.73368 
1 1 1 -25 -2  20 o 45.581  6.3051  284.674    67.866   265.065    95.572   304.618    96.387   40.782  9.7837  44.436  9.2408  -3.654331      13.45784 
1 1 1 -25 -2  21 o 33.884  7.9590  170.197    64.323   132.838    92.084   205.795    89.888   28.547  10.335  35.456  10.010  -6.909168      14.38784 
1 1 1 -25 -2  22 o 11.810  5.7543  -80.0708   53.246   -40.3997   72.853   -125.5601  78.013   16.072  7.5152  13.712  6.7398  2.360753       10.09471 
1 1 1 -25 -2  23 o 38.176  7.5868  211.827    67.800   304.180    97.456   125.202    94.386   44.081  9.3987  27.796  10.393  16.28459       14.01275 
1 1 1 -25 -2  24 o 10.497  5.2686  -152.8684  58.733   -76.5336   75.355   -271.0102  93.746   14.898  7.1573  12.460  6.3009  2.437613       9.535664 
1 1 1 -25 -2  25 o 17.374  7.9113  -13.2461   73.379   19.742     84.374   -115.6549  148.662  20.136  8.8727  20.075  9.7434  0.6098557E-01  13.17796 
1 1 1 -25 -2  26 o 17.912  8.1863  -14.1143   79.486   -14.1143   79.486   0.0000     0.0000   17.912  8.1863  ?       ?       0.000000       8.186290 
1 1 1 -25 -2  27 o 42.626  9.8817  295.718    100.213  295.718    100.213  0.0000     0.0000   42.626  9.8817  ?       ?       0.000000       9.881661 
1 1 1 -25 -2  28 o 29.153  8.5934  133.026    64.920   155.208    90.195   109.181    93.515   30.092  10.283  26.223  10.211  3.869789       14.49112 
1 1 1 -25 -2  29 o 47.693  8.5779  347.603    95.616   282.191    113.876  503.945    176.051  39.413  11.314  48.444  14.115  -9.031216      18.08971 
1 1 1 -25 -2  30 o 23.231  8.7726  79.120     67.587   85.375     87.877   70.062     105.749  24.180  9.7418  23.751  10.202  0.4291573      14.10632 
1 1 1 -25 -2  31 o 30.287  9.2739  151.988    74.553   135.202    93.348   181.551    123.884  27.851  10.351  30.348  11.770  -2.497021      15.67458 
1 1 1 -25 -2  32 o 25.966  8.2987  106.282    59.057   104.815    91.310   107.337    77.433   25.347  10.023  25.595  9.4445  -0.2478657     13.77200 
1 1 1 -25 -2  33 o 26.873  8.5129  116.657    62.251   93.439     89.945   138.003    86.244   24.328  9.8366  27.903  10.015  -3.575243      14.03775 
1 1 1 -25 -2  34 o 36.475  7.9945  207.038    68.801   138.900    101.135  265.734    93.868   27.251  10.617  39.091  9.8890  -11.84030      14.50887 
1 1 1 -25 -2  35 o 50.371  6.1319  359.421    73.397   359.224    105.717  359.604    101.983  45.562  9.8498  46.231  9.4113  -0.6693344     13.62322 
1 1 1 -25 -2  36 f 22.064  9.5539  67.000     94.214   -297.5234  244.414  130.616    102.105  20.169  10.197  26.022  10.495  -5.852465      14.63290 
1 1 1 -25 -2  37 o 36.439  11.595  286.290    115.381  0.0000     0.0000   286.290    115.381  ?       ?       36.439  11.595  0.000000       11.59469 
1 1 1 -25 -2  38 o 21.070  9.0073  63.700     81.725   0.0000     0.0000   63.700     81.725   ?       ?       21.070  9.0073  0.000000       9.007323 
1 1 1 -25 -2  39 f 19.828  8.8528  42.854     86.810   0.0000     0.0000   42.854     86.810   ?       ?       19.828  8.8528  0.000000       8.852773 
1 1 1 -25 -2  40 o 49.636  9.2697  438.656    107.536  0.0000     0.0000   438.656    107.536  ?       ?       49.636  9.2697  0.000000       9.269658 
1 1 1 -25 -2  41 o 19.264  8.0414  53.961     62.638   113.895    88.855   -5.2452    88.314   23.603  9.6886  17.357  8.1659  6.246513       12.67086 
1 1 1 -25 -2  42 o 12.046  5.9082  -76.5182   58.944   -140.9944  64.968   223.581    140.162  11.045  5.5436  27.061  11.685  -16.01591      12.93369 
1 1 1 -25 -2  43 o 13.389  6.3683  -32.4514   56.527   -52.1964   69.549   5.9776     97.027   13.963  6.7492  17.956  8.4815  -3.992615      10.83914 
1 1 1 -25 -2  44 o 23.388  8.5779  104.964    63.731   159.117    83.205   28.094     99.132   26.824  9.8068  18.777  8.7753  8.047428       13.15977 
1 1 1 -25 -2  45 o 11.265  5.6065  -107.0992  60.458   -77.1905   67.149   -235.1335  138.933  12.860  6.3074  15.143  7.6587  -2.282777      9.921641 
1 1 1 -25 -2  46 o 13.255  6.4067  -51.3610   62.648   4.9178     69.469   -296.4379  144.968  16.271  7.5149  14.754  7.4988  1.516201       10.61629 
1 1 1 -25 -2  47 o 19.439  8.0324  60.423     61.596   61.957     79.379   58.101     97.651   19.852  8.6804  20.011  9.1177  -0.1588364     12.58899 
1 1 1 -25 -2  48 o 11.671  5.7234  -72.0980   55.225   -20.2567   69.624   -160.0476  90.686   15.152  7.1655  13.111  6.5759  2.041612       9.725583 
1 1 1 -25 -2  49 o 18.090  8.6188  6.0647     104.453  30.543     207.016  -2.2954    120.982  20.745  10.333  18.458  8.9167  2.286945       13.64801 
1 1 1 -25 -2  50 o 17.407  8.3662  -7.7897    103.179  104.294    207.975  -44.3835   118.835  21.461  10.633  17.129  8.3990  4.331909       13.54975 
1 1 1 -25 -2  51 o 22.744  10.276  146.748    120.878  386.164    244.080  68.946     139.139  24.599  12.057  20.048  9.6548  4.550812       15.44623 
1 1 1 -25 -1  1  o 32.144  5.5854  140.244    41.983   182.986    65.496   110.434    54.697   35.121  7.8797  27.168  7.8537  7.953033       11.12523 
1 1 1 -25 -1  2  o 23.922  6.6316  81.464     39.830   59.554     55.685   104.418    56.994   21.246  7.9755  26.348  8.1154  -5.101419      11.37842 
1 1 1 -25 -1  3  o 57.533  4.3231  426.216    59.909   387.777    83.904   466.197    85.570   52.820  6.6971  58.559  6.1124  -5.739529      9.067092 
1 1 1 -25 -1  4  o 75.658  4.2623  734.064    77.927   791.176    112.176  680.798    108.334  76.454  6.0977  70.531  6.3999  5.922546       8.839752 
1 1 1 -25 -1  5  o 64.870  4.2977  540.333    67.263   509.867    96.169   569.510    94.113   60.782  6.6282  64.908  6.0451  -4.126366      8.970846 
1 1 1 -25 -1  6  f 32.889  6.3216  149.916    48.615   225.150    72.415   88.187     65.594   39.245  7.8784  24.553  8.7424  14.69220       11.76855 
1 1 1 -25 -1  7  o 52.599  4.8601  360.921    61.327   388.556    91.846   338.687    82.383   52.281  7.4510  49.071  7.1275  3.210136       10.31108 
1 1 1 -25 -1  8  o 64.329  5.8168  553.752    89.812   537.790    105.221  596.591    172.381  61.998  7.1241  57.806  12.642  4.192081       14.51125 
1 1 1 -25 -1  9  o 63.671  6.6267  556.720    100.878  500.859    123.621  668.060    174.526  57.522  9.1646  62.499  11.944  -4.976048      15.05499 
1 1 1 -25 -1  10 o 23.266  9.0123  71.510     72.556   12.869     86.665   208.942    132.673  20.179  8.9368  33.559  12.366  -13.37980      15.25735 
1 1 1 -25 -1  11 o 37.341  6.2418  190.980    54.557   148.926    82.092   224.247    73.015   30.520  9.7873  39.219  7.9450  -8.699245      12.60613 
1 1 1 -25 -1  12 o 48.938  5.6036  318.989    65.339   333.145    89.795   303.060    95.252   47.962  7.9976  44.648  9.1012  3.314007       12.11580 
1 1 1 -25 -1  13 o 9.6010  4.8004  -116.5629  46.575   -110.4082  63.029   -123.9659  69.127   12.280  6.0403  12.709  6.2656  -0.4289217     8.703083 
1 1 1 -25 -1  14 o 48.483  5.7650  314.745    66.491   286.634    92.645   344.606    95.483   43.394  9.0900  48.354  8.4457  -4.959682      12.40800 
1 1 1 -25 -1  15 o 36.154  7.4124  187.303    62.841   100.012    86.738   283.740    91.169   26.037  9.9125  43.265  8.9786  -17.22822      13.37430 
1 1 1 -25 -1  16 o 28.847  10.687  134.865    99.342   20.098     194.411  175.421    115.570  26.129  12.236  31.675  11.561  -5.546066      16.83417 
1 1 1 -25 -1  17 o 71.732  8.1158  745.232    138.770  931.743    270.126  678.361    161.746  63.394  17.147  64.929  10.635  -1.535786      20.17743 
1 1 1 -25 -1  18 o 69.241  8.1901  697.565    134.936  582.108    271.240  735.535    155.549  44.709  17.395  69.226  9.5118  -24.51740      19.82606 
1 1 1 -25 -1  19 o 44.975  6.7576  281.420    71.464   232.936    101.125  329.788    101.005  37.211  10.656  46.240  9.3244  -9.028271      14.15967 
1 1 1 -25 -1  20 o 29.533  8.5897  133.509    65.251   -13.4005   89.594   299.448    95.221   19.027  8.6942  44.081  9.1999  -25.05414      12.65806 
1 1 1 -25 -1  21 o 71.409  5.0800  668.565    87.445   666.952    123.542  670.185    123.789  68.337  7.5783  68.510  7.5734  -0.1727066     10.71385 
1 1 1 -25 -1  22 o 77.940  4.8678  791.840    91.598   810.049    129.934  773.851    129.147  75.920  7.1373  73.985  7.2888  1.935036       10.20132 
1 1 1 -25 -1  23 o 70.718  5.0512  656.316    86.104   563.988    121.961  748.066    121.578  61.727  8.3579  73.171  6.9304  -11.44421      10.85748 
1 1 1 -25 -1  24 o 28.995  9.5737  135.693    78.246   98.250     89.192   260.774    163.019  25.601  9.9712  34.884  13.510  -9.283503      16.79111 
1 1 1 -25 -1  25 o 23.530  9.5337  72.686     84.679   72.686     84.679   0.0000     0.0000   23.530  9.5337  ?       ?       0.000000       9.533678 
1 1 1 -25 -1  26 o 37.766  10.385  241.215    98.134   241.215    98.134   0.0000     0.0000   37.766  10.385  ?       ?       0.000000       10.38549 
1 1 1 -25 -1  27 o 36.888  8.8665  212.602    78.378   233.531    105.041  186.311    117.729  36.260  10.988  31.578  11.647  4.682306       16.01228 
1 1 1 -25 -1  28 o 14.561  6.8077  -35.6181   59.743   -1.3892    87.202   -65.8959   82.015   19.113  8.6727  15.921  7.5995  3.192238       11.53120 
1 1 1 -25 -1  29 o 33.568  10.715  201.064    98.476   201.064    98.476   0.0000     0.0000   33.568  10.715  ?       ?       0.000000       10.71490 
1 1 1 -25 -1  30 o 17.865  7.8475  12.585     65.544   -37.6816   89.631   70.359     96.092   17.618  8.2688  23.385  9.8726  -5.767162      12.87792 
1 1 1 -25 -1  31 o 30.162  7.8893  139.757    58.398   44.302     86.172   220.826    79.414   21.246  9.1684  37.125  8.9258  -15.87937      12.79568 
1 1 1 -25 -1  32 f 10.414  5.2010  -123.9674  53.961   -187.4728  84.595   -80.4020   70.066   12.771  6.3979  13.880  6.7255  -1.109111      9.282503 
1 1 1 -25 -1  33 o 19.545  8.0526  43.617     61.663   -13.9309   103.124  75.644     76.932   19.270  8.9871  22.715  9.1278  -3.445372      12.80952 
1 1 1 -25 -1  34 o 29.018  8.6243  139.323    65.170   116.527    101.799  155.153    84.833   25.587  10.421  29.167  9.9722  -3.580385      14.42372 
1 1 1 -25 -1  35 o 25.486  10.363  119.392    100.461  330.154    258.999  82.067     108.994  30.126  14.113  23.367  10.196  6.758835       17.41038 
1 1 1 -25 -1  36 o 23.519  9.9205  92.787     96.890   152.434    236.029  80.699     106.255  26.011  12.538  22.969  10.043  3.041885       16.06451 
1 1 1 -25 -1  37 o 29.063  9.0389  150.724    70.509   152.862    110.284  149.246    91.699   26.731  10.862  27.290  10.236  -0.5591335     14.92568 
1 1 1 -25 -1  38 o 48.604  9.7690  425.460    111.214  0.0000     0.0000   425.460    111.214  ?       ?       48.604  9.7690  0.000000       9.769049 
1 1 1 -25 -1  39 f 37.152  10.365  274.929    96.983   0.0000     0.0000   274.929    96.983   ?       ?       37.152  10.365  0.000000       10.36549 
1 1 1 -25 -1  40 o 21.758  8.4290  82.005     63.475   39.411     90.365   123.489    89.180   19.488  8.8373  24.446  9.8260  -4.957920      13.21546 
1 1 1 -25 -1  41 o 19.096  7.8179  54.407     57.665   -14.5492   80.777   126.069    82.347   16.438  7.7569  24.628  9.5841  -8.189857      12.32978 
1 1 1 -25 -1  42 o 30.070  8.5163  165.143    64.958   243.721    84.040   48.527     102.380  35.238  9.5780  19.855  9.1536  15.38362       13.24869 
1 1 1 -25 -1  43 o 17.067  7.4865  29.438     59.469   -32.2805   75.506   130.273    96.513   15.181  7.2589  23.862  9.9730  -8.681230      12.33502 
1 1 1 -25 -1  44 o 23.153  8.5612  102.729    63.690   202.951    83.281   -38.4673   98.850   30.896  9.8527  16.541  8.0080  14.35498       12.69666 
1 1 1 -25 -1  45 o 27.763  9.8761  170.716    83.692   141.194    96.230   262.379    169.563  24.468  10.068  26.392  12.021  -1.923666      15.68000 
1 1 1 -25 -1  46 o 23.653  9.3705  117.870    79.934   98.752     91.531   179.303    164.074  22.026  9.4772  24.032  11.250  -2.005568      14.70982 
1 1 1 -25 -1  47 o 12.668  6.0801  -42.1880   54.095   -15.8970   66.793   -92.3093   92.223   15.118  7.1094  14.700  7.2453  0.4186907      10.15076 
1 1 1 -25 -1  48 f 14.955  6.9040  -3.6219    58.538   -5.1074    74.779   -1.2708    94.075   16.167  7.5766  17.452  8.2756  -1.285572      11.22010 
1 1 1 -25 -1  49 o 14.382  7.1567  -120.7824  98.355   -299.7470  198.516  -62.5602   113.229  ?       ?       16.561  8.1364  0.000000       8.136356 
1 1 1 -25 -1  50 o 18.957  8.9004  41.951     104.002  -106.6341  222.037  83.713     117.714  18.869  9.5580  20.633  9.6159  -1.764147      13.55807 
1 1 1 -25 -1  51 f 14.473  7.1906  -97.6219   97.681   -40.1587   213.643  -112.8092  109.833  18.929  9.5669  14.898  7.4374  4.030788       12.11783 
1 1 1 -25 0   1  o 52.515  5.8478  372.701    73.249   344.968    84.941   453.145    144.667  49.126  7.3520  50.400  12.002  -1.274380      14.07462 
1 1 1 -25 0   2  o 56.050  4.9429  411.814    66.536   406.601    88.914   418.449    100.304  53.807  6.9744  53.548  7.9623  0.2589111      10.58492 
1 1 1 -25 0   3  o 11.480  5.3417  -25.6113   36.094   -50.1170   54.123   -5.9817    48.440   13.179  6.2572  14.852  6.6233  -1.673432      9.111578 
1 1 1 -25 0   4  o 79.629  4.2229  811.838    81.300   804.174    115.824  819.283    114.147  76.898  6.2619  77.842  6.0920  -0.9442139     8.736388 
1 1 1 -25 0   5  o 59.505  4.5146  457.355    64.697   471.419    94.138   444.766    89.064   58.294  6.7822  56.811  6.5831  1.483269       9.451748 
1 1 1 -25 0   6  o 15.657  6.4981  16.366     40.566   17.604     62.427   15.461     53.370   18.237  7.8364  17.122  7.2982  1.115597       10.70858 
1 1 1 -25 0   7  o 23.555  8.5118  78.500     62.418   111.391    71.789   -23.3960   126.357  26.954  9.1737  21.480  9.9945  5.474277       13.56640 
1 1 1 -25 0   8  o 23.116  8.9440  70.566     71.398   73.578     85.552   63.654     129.599  23.928  9.6219  25.181  11.049  -1.253860      14.65121 
1 1 1 -25 0   9  o 61.824  6.7942  527.802    100.239  564.188    123.258  456.738    172.256  62.057  8.4018  47.954  13.959  14.10336       16.29241 
1 1 1 -25 0   10 o 68.159  4.9158  604.289    80.754   709.585    131.122  539.946    102.499  70.482  7.7977  62.466  6.8764  8.016026       10.39658 
1 1 1 -25 0   11 o 16.835  6.9211  22.047     45.429   6.2168     70.550   33.260     59.378   18.362  8.1010  19.219  7.9082  -0.8574829     11.32102 
1 1 1 -25 0   12 o 22.397  7.5847  70.064     49.070   119.796    74.657   32.238     65.110   27.847  9.3558  19.632  8.1971  8.214788       12.43878 
1 1 1 -25 0   13 o 20.772  8.0300  52.078     57.512   -43.4910   80.493   151.755    82.204   16.897  7.9003  30.816  9.7847  -13.91858      12.57604 
1 1 1 -25 0   14 o 22.505  8.0917  69.542     56.324   75.636     79.158   63.292     80.158   23.880  9.3678  22.971  9.2867  0.9095688      13.19081 
1 1 1 -25 0   15 o 67.661  7.8397  655.387    126.322  599.779    225.970  680.664    152.350  50.704  16.236  66.385  9.7486  -15.68108      18.93786 
1 1 1 -25 0   16 o 69.387  7.8671  690.404    130.111  642.518    232.139  712.338    157.109  52.346  16.421  67.736  9.8476  -15.38971      19.14713 
1 1 1 -25 0   17 o 31.749  10.988  172.154    103.127  179.940    194.934  169.127    121.526  31.216  13.627  31.038  11.753  0.1778851      17.99533 
1 1 1 -25 0   18 o 20.440  8.1835  46.205     61.592   120.451    83.572   -42.0675   91.125   27.680  9.8667  17.982  8.4070  9.697887       12.96261 
1 1 1 -25 0   19 o 16.339  7.3216  -6.7389    59.956   49.990     84.186   -65.1266   85.408   22.143  9.2887  16.509  7.8448  5.634308       12.15816 
1 1 1 -25 0   20 o 66.535  5.3103  584.416    85.017   558.635    119.385  610.942    121.096  61.842  8.1550  65.118  7.8206  -3.275852      11.29894 
1 1 1 -25 0   21 o 80.155  4.9822  839.621    96.417   743.623    136.134  936.245    136.577  71.601  7.9711  81.999  6.9293  -10.39809      10.56196 
1 1 1 -25 0   22 o 20.436  8.2854  45.357     64.001   -46.4005   90.390   137.605    90.632   17.651  8.2907  28.898  10.278  -11.24711      13.20485 
1 1 1 -25 0   23 o 67.616  5.2815  604.612    85.962   741.999    122.930  473.145    120.252  72.672  7.0606  55.365  9.2799  17.30737       11.66052 
1 1 1 -25 0   24 o 49.663  9.2109  381.773    106.907  381.773    106.907  0.0000     0.0000   49.663  9.2109  ?       ?       0.000000       9.210934 
1 1 1 -25 0   25 o 56.397  8.5238  477.153    113.003  477.153    113.003  0.0000     0.0000   56.397  8.5238  ?       ?       0.000000       8.523780 
1 1 1 -25 0   26 o 21.311  8.5556  54.853     67.520   -47.6384   87.915   202.245    105.428  17.256  8.1275  33.540  11.115  -16.28403      13.76924 
1 1 1 -25 0   27 o 36.356  7.9556  197.914    68.231   140.268    97.176   253.967    95.824   28.623  10.577  39.080  10.049  -10.45659      14.58947 
1 1 1 -25 0   28 o 19.346  8.1334  33.518     64.780   -84.7607   90.342   158.697    92.940   16.121  7.7675  30.188  10.433  -14.06689      13.00667 
1 1 1 -25 0   29 f 13.627  6.5622  -70.1871   64.259   -7.1419    88.400   -140.8283  93.574   18.842  8.6198  14.845  7.3132  3.997651       11.30412 
1 1 1 -25 0   30 o 21.242  8.7995  53.015     74.191   150.897    99.102   -71.7904   111.904  28.975  10.686  18.271  8.7630  10.70391       13.81961 
1 1 1 -25 0   31 o 26.426  8.5838  111.637    62.998   57.475     93.543   156.592    85.222   22.315  9.5907  29.898  9.9961  -7.582899      13.85292 
1 1 1 -25 0   32 o 40.917  7.1952  246.443    68.826   314.069    103.740  193.273    91.986   42.621  10.173  32.630  10.349  9.990959       14.51179 
1 1 1 -25 0   33 o 17.871  7.7034  23.302     60.697   -6.0389    90.411   47.377     81.897   18.627  8.5925  20.858  8.9694  -2.231140      12.42097 
1 1 1 -25 0   34 o 17.426  8.2012  -29.6922   89.202   155.106    241.660  -58.8433   95.980   26.860  12.881  16.956  8.1280  9.903246       15.23106 
1 1 1 -25 0   35 o 17.660  8.2764  -20.1523   89.230   -67.0284   243.682  -12.8938   95.890   22.796  11.331  18.418  8.6152  4.378185       14.23428 
1 1 1 -25 0   36 o 31.833  11.648  230.479    117.417  0.0000     0.0000   230.479    117.417  ?       ?       31.833  11.648  0.000000       11.64802 
1 1 1 -25 0   37 o 21.003  8.9974  62.232     81.849   0.0000     0.0000   62.232     81.849   ?       ?       21.003  8.9974  0.000000       8.997400 
1 1 1 -25 0   38 o 18.651  8.4000  26.101     80.032   0.0000     0.0000   26.101     80.032   ?       ?       18.651  8.4000  0.000000       8.400043 
1 1 1 -25 0   39 o 14.648  6.8296  -17.6584   59.479   -55.6246   85.408   18.094     82.880   15.543  7.5045  18.231  8.3424  -2.688032      11.22113 
1 1 1 -25 0   40 o 18.779  7.9798  46.986     63.443   73.380     92.188   23.239     87.443   21.145  9.2971  18.518  8.5085  2.626875       12.60285 
1 1 1 -25 0   41 o 19.241  8.2375  53.302     68.533   33.078     76.130   139.722    157.374  18.296  8.2207  23.441  10.988  -5.145580      13.72260 
1 1 1 -25 0   42 o 17.276  7.4030  34.999     55.439   -8.1565    75.500   85.497     81.670   16.173  7.5901  21.406  9.0728  -5.232906      11.82901 
1 1 1 -25 0   43 o 18.310  7.6417  48.198     56.552   115.120    76.907   -30.5863   83.445   23.581  9.2384  15.821  7.5825  7.759979       11.95169 
1 1 1 -25 0   44 o 18.833  8.2831  48.386     73.223   79.450     82.130   -71.9914   161.676  20.878  8.9801  18.456  9.1827  2.421560       12.84386 
1 1 1 -25 0   45 o 14.479  6.8987  -30.7333   66.948   -31.7382   74.472   -26.5002   152.846  15.089  7.2132  19.015  9.3635  -3.926247      11.81973 
1 1 1 -25 0   46 o 15.807  7.0878  13.651     56.287   2.7781     73.702   28.867     87.191   16.490  7.6595  18.392  8.4676  -1.902313      11.41785 
1 1 1 -25 0   47 o 13.319  6.3175  -29.4324   54.909   -16.6924   75.739   -43.5470   79.720   15.783  7.4670  15.108  7.2834  0.6758738      10.43090 
1 1 1 -25 0   48 o 22.350  9.6329  107.802    94.891   169.493    243.132  96.717     103.065  22.740  11.305  21.672  9.6632  1.067894       14.87234 
1 1 1 -25 0   49 o 18.848  8.6754  43.423     91.445   162.568    241.270  23.437     98.818   22.227  11.084  18.286  8.6138  3.940609       14.03769 
1 1 1 -25 0   50 o 21.767  9.5184  110.451    95.469   135.276    248.642  106.158    103.394  21.279  10.701  21.395  9.5991  -0.1157913     14.37554 
1 1 1 -25 1   1  o 32.815  8.1203  161.875    64.305   167.359    75.255   147.036    123.789  32.520  9.1512  29.159  11.626  3.361141       14.79588 
1 1 1 -25 1   2  o 63.722  4.7434  528.359    72.815   553.519    95.286   493.044    112.891  63.699  6.2453  57.808  8.2852  5.890984       10.37536 
1 1 1 -25 1   3  o 74.348  4.2764  709.152    76.821   704.215    110.406  713.786    106.960  71.731  6.4110  72.564  6.1322  -0.8338242     8.871591 
1 1 1 -25 1   4  o 66.501  4.4579  570.055    71.516   561.541    102.060  578.269    100.242  63.729  6.7005  64.970  6.4438  -1.240601      9.296213 
1 1 1 -25 1   5  o 32.100  6.5827  144.392    49.551   128.642    74.307   157.005    66.494   28.613  9.3239  32.200  8.4165  -3.587664      12.56075 
1 1 1 -25 1   6  o 43.713  7.2740  271.032    74.440   241.424    85.002   368.457    154.192  39.653  9.0360  43.330  13.349  -3.676430      16.11947 
1 1 1 -25 1   7  o 59.674  7.1948  499.707    102.075  522.860    126.054  455.607    173.969  58.785  9.1339  47.507  14.084  11.27751       16.78666 
1 1 1 -25 1   8  o 63.708  6.9696  563.953    105.979  579.429    130.059  533.370    182.827  62.314  8.8506  51.947  14.130  10.36638       16.67323 
1 1 1 -25 1   9  o 29.529  7.5972  127.210    54.747   94.221     96.498   142.868    66.482   25.797  10.272  30.664  8.5916  -4.867161      13.39113 
1 1 1 -25 1   10 o 36.079  6.4963  180.129    54.778   143.113    84.082   207.426    72.204   29.881  9.9270  37.500  8.1667  -7.618725      12.85462 
1 1 1 -25 1   11 o 44.027  5.6802  259.327    59.264   266.583    88.613   253.455    79.716   41.910  8.9839  41.550  8.1982  0.3602524      12.16227 
1 1 1 -25 1   12 o 16.012  7.0570  -0.0597    53.406   43.637     77.235   -40.0933   73.927   21.380  8.9274  16.311  7.6079  5.068642       11.72940 
1 1 1 -25 1   13 o 50.458  5.8540  341.603    70.340   429.681    100.374  256.607    98.602   54.796  7.7668  39.892  10.159  14.90371       12.78805 
1 1 1 -25 1   14 o 28.910  8.9929  128.746    69.790   96.345     88.659   181.531    113.162  25.784  9.9693  32.244  11.483  -6.460707      15.20649 
1 1 1 -25 1   15 o 34.081  10.721  195.780    98.871   323.572    177.902  138.668    118.930  38.647  14.305  29.080  11.458  9.566952       18.32812 
1 1 1 -25 1   16 o 69.693  7.5775  689.442    126.073  814.177    225.163  632.477    152.162  63.995  14.796  63.172  10.281  0.8222847      18.01718 
1 1 1 -25 1   17 o 70.576  7.7724  712.990    130.893  512.419    232.389  806.187    158.411  44.739  16.384  73.061  9.1355  -28.32181      18.75909 
1 1 1 -25 1   18 f 51.661  6.1672  362.727    75.777   359.301    106.078  366.298    108.287  48.235  9.4015  48.570  9.5288  -0.3357925     13.38603 
1 1 1 -25 1   19 o 17.572  7.6703  9.2873     61.751   -73.2198   87.103   92.655     87.557   16.388  7.8252  25.321  9.8746  -8.932556      12.59920 
1 1 1 -25 1   20 o 70.972  5.1653  662.082    88.340   636.740    124.565  687.723    125.300  66.359  7.8910  69.423  7.5606  -3.064468      10.92846 
1 1 1 -25 1   21 o 85.383  4.8758  950.011    100.594  977.388    141.908  922.359    142.618  83.536  7.0675  80.685  7.3661  2.851120       10.20822 
1 1 1 -25 1   22 o 62.045  5.5430  513.503    82.569   578.099    116.460  448.213    117.084  63.278  7.7468  53.879  9.2916  9.399200       12.09739 
1 1 1 -25 1   23 o 28.811  10.452  138.485    94.255   138.485    94.255   0.0000     0.0000   28.811  10.452  ?       ?       0.000000       10.45219 
1 1 1 -25 1   24 f 30.662  10.842  163.713    100.723  163.713    100.723  0.0000     0.0000   30.662  10.842  ?       ?       0.000000       10.84230 
1 1 1 -25 1   25 o 41.995  11.106  307.770    114.896  307.770    114.896  0.0000     0.0000   41.995  11.106  ?       ?       0.000000       11.10555 
1 1 1 -25 1   26 o 30.603  8.3871  144.513    64.129   129.129    88.919   161.187    92.574   27.906  10.148  30.597  10.417  -2.690575      14.54303 
1 1 1 -25 1   27 o 17.927  7.9040  9.6090     67.058   -23.5001   92.800   45.789     97.008   18.592  8.6217  22.211  9.6559  -3.618460      12.94491 
1 1 1 -25 1   28 o 88.774  5.8432  1069.51    125.160  573.812    159.385  1866.88    202.146  56.101  12.067  113.950 7.3504  -57.84811      14.12942 
1 1 1 -25 1   29 o 27.211  9.4295  121.802    75.951   88.775     101.287  164.228    114.799  24.664  10.255  29.593  11.371  -4.929346      15.31185 
1 1 1 -25 1   30 o 29.817  8.3284  139.976    62.573   295.060    97.192   30.187     81.776   42.210  9.6940  20.146  8.8096  22.06338       13.09900 
1 1 1 -25 1   31 o 24.676  8.7915  96.831     66.343   78.622     100.301  110.993    88.457   23.695  10.049  25.741  9.9566  -2.046642      14.14653 
1 1 1 -25 1   32 o 19.872  8.1198  47.316     62.053   53.782     91.802   41.876     84.204   21.777  9.4303  20.719  9.0018  1.057995       13.03696 
1 1 1 -25 1   33 o 17.339  7.6606  12.917     63.313   5.0931     97.091   18.705     83.512   19.476  8.9551  19.233  8.6281  0.2432556      12.43534 
1 1 1 -25 1   34 o 19.330  8.8636  9.8739     94.234   231.506    266.042  -21.9219   100.767  27.941  13.430  18.488  8.7058  9.452574       16.00490 
1 1 1 -25 1   35 o 20.648  9.3513  36.240     100.796  0.0000     0.0000   36.240     100.796  ?       ?       20.648  9.3513  0.000000       9.351282 
1 1 1 -25 1   36 o 22.060  9.3707  75.340     87.438   0.0000     0.0000   75.340     87.438   ?       ?       22.060  9.3707  0.000000       9.370734 
1 1 1 -25 1   37 o 43.248  10.111  348.990    104.202  0.0000     0.0000   348.990    104.202  ?       ?       43.248  10.111  0.000000       10.11092 
1 1 1 -25 1   38 o 30.470  10.305  193.889    90.582   -6.9189    276.017  218.126    95.893   22.559  11.336  32.002  10.600  -9.442972      15.51945 
1 1 1 -25 1   39 o 15.920  7.2701  2.1194     62.531   68.167     91.691   -55.3074   85.498   20.976  9.2456  15.492  7.4870  5.483445       11.89692 
1 1 1 -25 1   40 o 18.754  7.8078  49.907     58.830   150.148    82.476   -53.9218   83.939   26.631  9.7596  15.286  7.3951  11.34521       12.24486 
1 1 1 -25 1   41 o 27.686  8.6611  144.126    64.631   82.538     89.448   211.409    93.491   21.288  9.2634  30.476  10.467  -9.188099      13.97774 
1 1 1 -25 1   42 o 24.413  8.6237  114.600    63.703   155.481    87.705   68.951     92.679   26.169  9.9664  20.447  9.1367  5.721956       13.52068 
1 1 1 -25 1   43 o 24.110  9.3433  122.715    78.011   93.003     87.704   235.293    170.717  21.694  9.3040  25.475  11.771  -3.781696      15.00418 
1 1 1 -25 1   44 o 19.210  8.3884  54.278     73.916   6.7031     82.665   244.020    165.086  17.160  8.0178  25.966  11.840  -8.805185      14.29941 
1 1 1 -25 1   45 o 11.934  5.9056  -95.5111   63.440   -83.7025   69.917   -150.5369  150.927  12.963  6.3738  16.889  8.4727  -3.925398      10.60241 
1 1 1 -25 1   46 o 12.068  5.8862  -64.0536   56.124   -80.1634   76.473   -45.2469   82.627   13.710  6.7255  15.286  7.3807  -1.576457      9.985303 
1 1 1 -25 1   47 o 20.637  7.9667  74.533     56.548   28.440     77.324   127.524    82.909   17.880  8.1337  24.184  9.5550  -6.303925      12.54814 
1 1 1 -25 1   48 o 19.593  8.8734  57.644     90.759   -210.4300  237.513  103.479    98.212   ?       ?       21.921  9.6182  0.000000       9.618245 
1 1 1 -25 1   49 o 16.786  7.9515  0.6112     86.414   -25.9974   235.930  4.7340     92.868   19.833  10.026  17.245  8.1906  2.587200       12.94639 
1 1 1 -25 1   50 o 25.799  10.407  187.347    100.412  -23.5450   257.140  225.291    109.072  19.494  9.9154  27.371  10.913  -7.877131      14.74511 
1 1 1 -25 2   1  o 15.276  6.2277  18.363     36.400   -87.3541   54.010   106.343    49.272   11.657  5.7045  26.971  7.3351  -15.31438      9.292145 
1 1 1 -25 2   2  o 31.833  6.5088  142.105    48.579   161.145    71.899   126.113    65.894   32.148  8.9091  28.571  8.7131  3.577068       12.46161 
1 1 1 -25 2   3  o 18.089  6.9400  37.389     42.724   58.362     63.551   20.093     57.712   21.570  8.4124  17.907  7.6100  3.663080       11.34374 
1 1 1 -25 2   4  o 29.424  7.0660  124.335    49.813   101.562    74.533   142.717    66.964   25.894  9.3085  30.483  8.6516  -4.588703      12.70822 
1 1 1 -25 2   5  o 33.730  8.5886  173.163    70.478   201.320    80.145   77.107     148.030  35.943  9.1622  26.298  11.662  9.645462       14.83026 
1 1 1 -25 2   6  o 57.944  7.3112  473.845    100.505  469.147    121.541  484.003    178.731  55.298  9.3944  48.807  14.222  6.490971       17.04480 
1 1 1 -25 2   7  o 28.151  9.5625  124.304    78.002   111.233    93.088   155.115    142.921  26.945  10.266  30.016  12.300  -3.071939      16.02178 
1 1 1 -25 2   8  o 60.874  5.1437  485.921    75.264   495.655    120.996  479.777    96.125   57.450  8.9734  58.839  6.8619  -1.389526      11.29635 
1 1 1 -25 2   9  o 71.830  4.6063  665.631    79.860   725.141    115.880  611.801    110.211  72.727  6.6400  66.425  6.9405  6.301315       9.605195 
1 1 1 -25 2   10 o 75.983  4.4753  741.974    82.145   689.519    118.370  790.704    114.089  70.461  7.0168  76.532  6.1970  -6.071083      9.361543 
1 1 1 -25 2   11 o 52.629  5.3456  365.732    67.316   416.649    95.134   314.675    95.265   54.293  7.4153  45.700  8.9112  8.593117       11.59295 
1 1 1 -25 2   12 o 57.797  5.1698  438.307    71.736   489.039    100.981  386.620    101.927  59.099  7.1902  51.193  8.5040  7.905659       11.13627 
1 1 1 -25 2   13 o 77.117  4.7241  769.112    87.970   817.489    125.380  722.206    123.459  77.075  6.7730  71.919  7.1704  5.155479       9.863502 
1 1 1 -25 2   14 o 75.580  7.2516  799.963    131.353  738.415    237.985  826.927    157.519  57.332  16.323  74.464  8.8942  -17.13194      18.58895 
1 1 1 -25 2   15 o 57.611  8.5290  489.833    115.622  564.645    215.415  459.559    137.034  49.686  15.846  52.678  11.073  -2.992138      19.33143 
1 1 1 -25 2   16 o 32.835  11.029  185.616    103.740  159.003    193.212  196.396    122.969  30.382  13.405  32.899  11.938  -2.517231      17.95032 
1 1 1 -25 2   17 o 68.802  5.1060  620.213    84.632   647.952    118.166  590.996    121.270  67.828  7.2946  63.905  7.9959  3.922607       10.82340 
1 1 1 -25 2   18 o 41.949  7.2556  250.206    71.179   319.745    99.823   178.276    101.525  45.426  9.3677  32.199  10.910  13.22689       14.37965 
1 1 1 -25 2   19 o 43.452  6.9109  265.029    70.423   277.830    96.180   250.234    103.399  41.880  9.6615  38.493  10.690  3.387077       14.40892 
1 1 1 -25 2   20 o 15.771  7.2138  -19.8854   61.881   3.7908     84.763   -46.9032   90.548   19.399  8.6983  17.662  8.2965  1.737118       12.02046 
1 1 1 -25 2   21 o 42.619  7.4470  261.241    74.207   210.715    107.338  307.499    102.705  34.462  11.205  43.755  9.9046  -9.292770      14.95507 
1 1 1 -25 2   22 o 17.121  7.9885  -37.2972   81.621   -37.2972   81.621   0.0000     0.0000   17.121  7.9885  ?       ?       0.000000       7.988463 
1 1 1 -25 2   23 o 25.793  10.318  99.393     97.807   99.393     97.807   0.0000     0.0000   25.793  10.318  ?       ?       0.000000       10.31754 
1 1 1 -25 2   24 o 22.396  9.6779  46.966     96.281   46.966     96.281   0.0000     0.0000   22.396  9.6779  ?       ?       0.000000       9.677930 
1 1 1 -25 2   25 o 25.620  9.2172  101.622    73.092   32.621     102.333  173.483    104.433  21.916  9.7083  31.161  11.038  -9.245388      14.69987 
1 1 1 -25 2   26 o 21.910  8.2644  65.970     59.940   191.258    95.916   -14.3105   76.778   33.058  10.577  17.564  8.0344  15.49413       13.28252 
1 1 1 -25 2   27 o 47.310  8.4045  339.405    92.943   371.230    121.621  294.725    144.105  46.166  11.012  37.395  12.987  8.770901       17.02687 
1 1 1 -25 2   28 o 19.944  8.4107  37.910     69.617   -27.1092   95.734   110.881    101.419  18.580  8.6634  26.149  10.490  -7.568947      13.60490 
1 1 1 -25 2   29 o 27.801  8.2905  121.272    60.148   151.814    89.985   96.605     80.868   29.370  10.259  24.809  9.5409  4.561619       14.00974 
1 1 1 -25 2   30 o 28.634  9.1810  136.477    72.237   183.752    113.245  104.044    93.799   30.653  11.400  25.298  10.109  5.354622       15.23654 
1 1 1 -25 2   31 o 74.016  5.4079  741.934    96.449   961.883    140.917  548.094    132.290  81.108  7.2364  57.273  9.8761  23.83433       12.24347 
1 1 1 -25 2   32 o 42.788  7.8282  280.011    78.277   314.526    119.339  253.949    103.702  39.868  11.623  36.623  10.878  3.245277       15.91884 
1 1 1 -25 2   33 f 43.321  10.918  351.592    114.723  853.058    269.433  240.541    126.792  47.931  17.628  32.680  12.080  15.25169       21.37041 
1 1 1 -25 2   34 o 40.064  11.906  338.879    124.213  0.0000     0.0000   338.879    124.213  ?       ?       40.064  11.906  0.000000       11.90617 
1 1 1 -25 2   35 o 35.876  11.939  290.246    121.608  0.0000     0.0000   290.246    121.608  ?       ?       35.876  11.939  0.000000       11.93946 
1 1 1 -25 2   36 o 16.719  7.8658  -21.9154   81.942   0.0000     0.0000   -21.9154   81.942   ?       ?       16.719  7.8658  0.000000       7.865816 
1 1 1 -25 2   37 o 28.278  9.9379  161.285    84.504   191.027    267.779  157.995    89.054   25.156  12.389  27.620  10.138  -2.463812      16.00846 
1 1 1 -25 2   38 o 42.244  7.3200  281.629    72.313   315.316    106.482  252.793    98.516   38.806  10.873  34.498  10.677  4.307999       15.23903 
1 1 1 -25 2   39 o 16.724  7.3597  22.533     57.880   68.221     82.085   -22.6464   81.627   20.671  8.9343  16.241  7.7034  4.430315       11.79674 
1 1 1 -25 2   40 o 16.767  7.3446  25.679     57.056   57.305     76.503   -13.9586   85.647   19.689  8.5672  16.708  7.9148  2.980984       11.66364 
1 1 1 -25 2   41 o 32.085  8.1216  180.647    63.285   198.514    87.169   160.734    92.025   30.046  10.109  26.294  10.160  3.751650       14.33233 
1 1 1 -25 2   42 o 11.682  5.6978  -62.1011   52.592   -69.6671   69.662   -52.0729   80.200   13.355  6.5237  14.854  7.1968  -1.498441      9.713477 
1 1 1 -25 2   43 o 12.990  6.4008  -88.9295   71.819   -78.2418   81.099   -127.7718  154.607  14.136  6.9329  17.331  8.6775  -3.195411      11.10692 
1 1 1 -25 2   44 o 21.738  8.9712  91.668     76.697   68.756     85.788   182.909    171.198  20.277  8.9400  23.920  11.289  -3.643658      14.40007 
1 1 1 -25 2   45 o 21.021  8.1013  78.336     58.398   42.076     79.078   121.831    86.609   18.712  8.3950  23.667  9.6226  -4.954876      12.76994 
1 1 1 -25 2   46 o 14.609  6.7231  -3.9499    54.890   21.299     72.919   -36.9619   83.380   17.319  7.8864  15.591  7.5000  1.727767       10.88327 
1 1 1 -25 2   47 o 25.286  10.290  158.906    99.160   185.650    245.209  153.678    108.420  22.888  11.375  24.456  10.413  -1.568260      15.42110 
1 1 1 -25 2   48 o 19.158  8.7545  51.385     90.867   -19.1986   237.312  63.512     98.364   20.102  10.151  19.832  9.0798  0.2698021      13.61962 
1 1 1 -25 2   49 o 20.011  9.0081  76.488     91.903   -175.5325  243.049  118.534    99.274   ?       ?       22.048  9.6722  0.000000       9.672250 
1 1 1 -25 3   1  o 15.338  6.5089  11.332     42.115   41.792     62.290   -14.3164   57.159   20.005  8.1503  15.474  7.0214  4.531735       10.75762 
1 1 1 -25 3   2  o 22.105  7.2431  69.141     44.819   70.018     65.188   68.354     61.722   22.689  8.6040  22.407  8.3995  0.2823410      12.02414 
1 1 1 -25 3   3  o 20.255  7.1517  54.891     43.808   33.357     65.080   72.733     59.238   19.592  8.1891  22.799  8.2839  -3.207207      11.64841 
1 1 1 -25 3   4  o 30.436  8.5174  141.431    65.381   151.633    72.293   95.606     153.218  31.143  9.0366  27.139  11.958  4.004192       14.98811 
1 1 1 -25 3   5  o 25.631  9.2595  98.479     73.859   71.161     85.547   178.464    146.382  23.674  9.5857  31.146  12.564  -7.472288      15.80350 
1 1 1 -25 3   6  o 25.662  9.3159  98.417     74.894   104.113    87.968   83.412     142.775  26.286  9.9885  26.449  11.601  -0.1623440     15.30867 
1 1 1 -25 3   7  o 30.712  7.5845  137.638    56.184   174.733    94.627   117.441    69.824   32.317  10.521  27.627  9.0400  4.690323       13.87158 
1 1 1 -25 3   8  o 60.210  4.7959  470.959    69.485   462.642    100.914  478.457    95.817   57.141  7.4562  58.758  6.8491  -1.617149      10.12449 
1 1 1 -25 3   9  o 36.725  6.5710  187.207    56.405   251.938    85.938   138.219    74.761   40.689  8.9479  29.694  9.3193  10.99525       12.91954 
1 1 1 -25 3   10 o 24.810  7.9328  89.776     53.959   152.574    76.725   28.319     75.901   31.125  9.3820  20.218  8.6629  10.90641       12.76980 
1 1 1 -25 3   11 o 21.482  7.9949  60.319     55.721   47.148     81.158   72.064     76.639   21.849  9.1398  23.468  9.2138  -1.618277      12.97803 
1 1 1 -25 3   12 o 35.567  7.3785  181.338    61.589   182.617    84.810   179.911    89.586   33.729  9.7879  33.144  10.169  0.5851784      14.11415 
1 1 1 -25 3   13 o 23.932  9.4937  75.353     82.153   25.475     162.905  92.364     95.137   25.083  11.558  25.601  10.197  -0.5182781     15.41306 
1 1 1 -25 3   14 o 57.725  8.0490  482.890    109.671  425.311    205.041  505.965    129.798  42.453  15.414  57.112  9.7144  -14.65941      18.21966 
1 1 1 -25 3   15 o 22.275  9.5920  42.106     93.912   -107.9100  178.561  99.468     110.416  22.259  10.773  26.404  10.815  -4.144945      15.26478 
1 1 1 -25 3   16 o 23.973  8.4444  82.958     61.041   93.431     82.926   70.571     90.181   25.324  9.6799  23.843  9.7708  1.480707       13.75384 
1 1 1 -25 3   17 o 18.381  7.7019  25.736     57.775   32.938     76.263   16.034     88.510   20.471  8.7249  20.402  9.0337  0.6823540E-01  12.55916 
1 1 1 -25 3   18 o 41.342  7.0363  241.444    68.054   282.362    90.730   188.812    102.901  42.936  8.9969  32.974  10.983  9.962559       14.19773 
1 1 1 -25 3   19 o 29.408  8.6232  133.107    65.523   103.390    88.924   168.408    96.918   26.101  10.013  31.423  10.659  -5.322063      14.62442 
1 1 1 -25 3   20 o 40.347  7.3081  233.301    68.911   221.477    91.955   248.447    104.075  36.710  10.036  38.119  10.774  -1.408600      14.72426 
1 1 1 -25 3   21 o 22.571  9.3867  58.050     84.896   58.050     84.896   0.0000     0.0000   22.571  9.3867  ?       ?       0.000000       9.386674 
1 1 1 -25 3   22 f 33.734  10.663  196.715    97.711   196.715    97.711   0.0000     0.0000   33.734  10.663  ?       ?       0.000000       10.66318 
1 1 1 -25 3   23 o 41.756  10.591  294.580    107.473  294.580    107.473  0.0000     0.0000   41.756  10.591  ?       ?       0.000000       10.59149 
1 1 1 -25 3   24 f 26.230  9.1344  107.582    71.314   79.825     102.790  133.342    99.023   24.535  10.276  28.147  10.621  -3.612238      14.77874 
1 1 1 -25 3   25 o 28.648  8.2441  126.190    60.393   121.622    96.894   129.092    77.230   27.178  10.446  28.154  9.5153  -0.9764576     14.12984 
1 1 1 -25 3   26 o 18.016  8.0638  2.6949     72.508   9.4798     96.545   -6.0836    109.816  20.308  9.1787  20.542  9.4738  -0.2332668     13.19096 
1 1 1 -25 3   27 o 33.865  9.6843  191.579    83.579   194.656    110.773  187.512    127.351  32.139  11.370  30.911  11.949  1.227781       16.49415 
1 1 1 -25 3   28 o 23.025  8.8645  77.100     69.863   -99.1290   95.922   276.202    101.957  16.126  7.8266  39.940  10.414  -23.81377      13.02679 
1 1 1 -25 3   29 o 17.744  7.7964  13.323     64.726   -21.9914   100.041  38.749     84.887   18.960  8.8456  20.805  9.0386  -1.845282      12.64676 
1 1 1 -25 3   30 o 57.347  6.3962  463.813    87.485   523.078    132.230  417.674    116.672  55.558  10.184  49.759  10.010  5.799423       14.28014 
1 1 1 -25 3   31 o 25.326  9.1412  106.626    71.961   128.829    113.248  91.590     93.194   26.501  10.915  24.098  9.9105  2.403458       14.74299 
1 1 1 -25 3   32 o 14.139  6.7457  -51.4549   64.463   24.312     98.160   -108.9101  85.480   20.337  9.2177  14.542  7.1292  5.795077       11.65300 
1 1 1 -25 3   33 o 24.357  10.075  102.928    97.062   43.263     268.073  111.930    104.127  24.767  12.235  24.914  10.381  -0.1464386     16.04537 
1 1 1 -25 3   34 o 16.132  7.7809  -65.3187   91.247   0.0000     0.0000   -65.3187   91.247   ?       ?       16.132  7.7809  0.000000       7.780923 
1 1 1 -25 3   35 o 21.671  9.4496  67.524     93.499   0.0000     0.0000   67.524     93.499   ?       ?       21.671  9.4496  0.000000       9.449586 
1 1 1 -25 3   36 o 18.855  8.5256  25.700     83.397   31.327     258.033  25.043     88.127   23.153  11.533  19.071  8.6785  4.082613       14.43341 
1 1 1 -25 3   37 o 18.461  7.9302  39.485     63.897   10.572     93.512   64.807     87.513   18.521  8.6111  20.895  9.1260  -2.374594      12.54732 
1 1 1 -25 3   38 o 12.639  6.0875  -50.2608   55.371   -97.3653   77.814   -1.9447    78.808   13.559  6.6778  16.936  7.8847  -3.377052      10.33253 
1 1 1 -25 3   39 o 12.459  6.0070  -49.5521   54.240   -104.5254  71.921   22.953     82.597   12.700  6.2849  18.130  8.3077  -5.429958      10.41719 
1 1 1 -25 3   40 o 12.966  6.2012  -38.8148   55.174   69.077     73.163   -181.0766  84.012   20.302  8.5951  12.181  6.1378  8.121038       10.56166 
1 1 1 -25 3   41 o 21.137  8.2061  80.175     60.260   -55.5569   86.034   210.896    84.431   15.204  7.3867  31.518  9.9056  -16.31412      12.35656 
1 1 1 -25 3   42 o 25.665  9.7463  146.970    83.720   127.658    92.987   229.631    192.379  23.696  9.8365  24.583  11.708  -0.8875332     15.29158 
1 1 1 -25 3   43 o 14.805  7.1184  -39.8197   74.895   -57.9976   84.700   25.347     160.370  14.997  7.2960  20.146  9.8527  -5.149422      12.26001 
1 1 1 -25 3   44 o 11.091  5.4686  -79.5761   52.687   -83.9067   69.276   -73.6345   81.144   12.884  6.3365  14.279  6.9885  -1.394911      9.433478 
1 1 1 -25 3   45 o 18.594  7.6981  51.642     56.731   28.138     78.276   77.650     82.339   17.941  8.1702  20.798  8.9685  -2.856262      12.13201 
1 1 1 -25 3   46 o 23.745  8.6364  109.865    64.411   167.727    88.028   43.188     94.497   26.941  10.044  19.160  8.8188  7.781122       13.36639 
1 1 1 -25 3   47 f 24.361  10.089  146.325    97.488   -204.3929  246.428  211.397    106.147  ?       ?       28.024  10.888  0.000000       10.88799 
1 1 1 -25 3   48 o 16.133  7.7775  -24.4036   90.891   -146.3996  232.422  -2.3785    98.756   18.602  9.4583  17.217  8.2507  1.385424       12.55127 
1 1 1 -25 3   49 o 20.244  9.2218  87.953     99.829   -50.5155   246.917  115.009    109.147  ?       ?       21.303  9.6804  0.000000       9.680387 
1 1 1 -25 4   1  o 40.548  5.6717  221.859    54.274   262.559    79.168   185.766    74.552   42.192  8.0264  34.606  8.8451  7.585896       11.94400 
1 1 1 -25 4   2  o 22.703  7.2802  73.655     45.421   10.763     65.730   131.135    62.837   18.036  7.8921  29.315  8.4015  -11.27958      11.52694 
1 1 1 -25 4   3  o 45.456  7.0037  290.928    74.766   279.209    83.180   340.217    170.593  43.455  8.1893  39.550  14.097  3.904751       16.30301 
1 1 1 -25 4   4  o 25.719  9.3089  99.806     74.699   114.611    86.262   55.417     149.365  27.058  9.9712  25.409  11.456  1.649380       15.18803 
1 1 1 -25 4   5  f 42.464  8.7566  272.769    87.225   280.098    103.367  254.643    162.556  41.353  10.332  35.029  13.512  6.323364       17.00899 
1 1 1 -25 4   6  o 36.802  6.7336  189.575    57.914   248.113    94.915   154.854    73.098   39.256  9.9513  31.495  9.0717  7.760248       13.46571 
1 1 1 -25 4   7  o 42.056  5.7287  237.822    56.938   277.784    82.778   201.938    78.442   43.499  8.1421  36.208  8.9738  7.290768       12.11707 
1 1 1 -25 4   8  o 15.149  6.5599  4.7914     44.419   27.637     65.299   -14.8853   60.601   19.254  8.1341  15.950  7.2344  3.304646       10.88581 
1 1 1 -25 4   9  o 28.444  7.9619  120.079    57.122   149.452    81.524   91.750     80.062   30.526  9.7496  25.175  9.5379  5.351473       13.63919 
1 1 1 -25 4   10 o 32.321  7.8226  153.511    60.688   78.680     89.396   217.475    82.651   24.432  9.8318  37.483  9.1643  -13.05043      13.44060 
1 1 1 -25 4   11 o 24.886  8.2025  90.879     57.448   60.248     82.615   119.557    79.938   22.819  9.3515  27.667  9.6689  -4.848331      13.45135 
1 1 1 -25 4   12 o 29.669  10.099  142.660    86.997   85.923     173.740  161.646    100.505  27.452  12.369  30.940  10.840  -3.488010      16.44670 
1 1 1 -25 4   13 o 17.366  7.9929  -25.0603   77.605   -126.0576  162.605  4.7309     88.313   20.966  10.179  19.842  8.8890  1.124342       13.51405 
1 1 1 -25 4   14 o 40.018  10.253  261.330    100.010  132.184    186.956  313.100    118.369  29.281  13.038  42.738  11.258  -13.45655      17.22623 
1 1 1 -25 4   15 o 38.902  6.9711  213.342    63.384   158.915    87.310   273.990    92.165   31.109  10.105  42.047  9.2821  -10.93831      13.72133 
1 1 1 -25 4   16 o 50.857  6.6574  358.126    80.179   320.244    101.235  421.881    131.331  45.276  9.5173  50.162  11.085  -4.885986      14.61048 
1 1 1 -25 4   17 o 18.551  7.7844  26.517     59.159   23.365     77.312   30.969     91.892   19.906  8.6370  21.421  9.3536  -1.514585      12.73137 
1 1 1 -25 4   18 o 52.353  6.1252  373.152    76.338   292.888    104.751  464.059    111.480  42.223  10.313  55.853  8.4936  -13.63052      13.36053 
1 1 1 -25 4   19 o 20.444  8.1132  48.605     60.021   29.356     80.812   72.286     89.637   20.493  8.8610  23.783  9.7431  -3.289507      13.16986 
1 1 1 -25 4   20 o 44.684  8.4075  299.052    87.811   191.500    98.070   733.933    197.202  33.291  10.700  62.203  13.457  -28.91209      17.19222 
1 1 1 -25 4   21 o 44.757  9.4368  315.372    99.253   315.372    99.253   0.0000     0.0000   44.757  9.4368  ?       ?       0.000000       9.436804 
1 1 1 -25 4   22 o 20.713  8.7846  38.801     76.638   38.801     76.638   0.0000     0.0000   20.713  8.7846  ?       ?       0.000000       8.784578 
1 1 1 -25 4   23 o 25.180  8.9801  96.846     69.236   -63.6352   97.293   261.499    98.549   17.555  8.3509  39.609  10.194  -22.05395      13.17803 
1 1 1 -25 4   24 o 21.962  8.4123  65.297     62.710   -15.4734   89.706   142.492    87.698   18.707  8.6038  29.073  10.129  -10.36551      13.29007 
1 1 1 -25 4   25 o 10.778  5.3836  -134.5589  57.900   -220.3809  77.727   -27.5637   86.787   11.502  5.8088  17.877  8.3064  -6.374740      10.13599 
1 1 1 -25 4   26 o 24.432  9.2971  90.633     76.282   142.939    96.420   3.1166     124.720  28.625  10.543  21.706  10.041  6.918867       14.55919 
1 1 1 -25 4   27 o 23.396  9.1926  79.472     76.340   68.906     103.471  92.095     113.091  23.536  10.100  25.087  10.657  -1.551197      14.68289 
1 1 1 -25 4   28 o 13.682  6.3667  -28.2729   51.293   -110.0904  87.695   14.273     63.239   14.965  7.3120  17.684  7.7397  -2.719317      10.64746 
1 1 1 -25 4   29 o 56.229  6.4640  446.716    86.587   467.662    133.568  431.533    113.718  51.126  11.086  51.451  9.4575  -0.3249016     14.57230 
1 1 1 -25 4   30 o 24.622  9.1400  98.723     72.735   137.001    117.128  74.697     92.796   27.033  11.113  23.057  9.7162  3.975590       14.76166 
1 1 1 -25 4   31 o 25.127  9.1232  106.021    71.831   115.744    114.643  99.736     92.166   25.520  10.779  24.466  9.9345  1.054482       14.65908 
1 1 1 -25 4   32 o 22.286  9.7556  65.089     100.517  632.768    295.608  -9.1292    106.886  36.107  16.213  19.341  9.0623  16.76652       18.57392 
1 1 1 -25 4   33 o 15.517  7.5343  -80.7661   89.148   0.0000     0.0000   -80.7661   89.148   ?       ?       15.517  7.5343  0.000000       7.534274 
1 1 1 -25 4   34 o 31.633  10.908  211.153    101.578  0.0000     0.0000   211.153    101.578  ?       ?       31.633  10.908  0.000000       10.90810 
1 1 1 -25 4   35 o 19.979  8.9968  39.230     91.766   0.0000     0.0000   39.230     91.766   ?       ?       19.979  8.9968  0.000000       8.996778 
1 1 1 -25 4   36 o 26.310  9.0585  129.349    70.037   190.218    108.526  85.905     91.685   28.499  11.027  22.259  9.5287  6.239954       14.57354 
1 1 1 -25 4   37 o 24.798  8.8013  114.490    66.431   208.557    90.966   6.9937     97.242   31.377  10.321  18.433  8.6393  12.94347       13.45933 
1 1 1 -25 4   38 o 10.509  5.2302  -101.1914  52.594   -16.0194   68.782   -221.1019  81.612   15.448  7.2484  11.357  5.7571  4.091549       9.256496 
1 1 1 -25 4   39 o 36.525  8.0743  228.944    69.655   236.811    97.371   220.699    99.684   32.139  10.683  30.411  10.783  1.727131       15.17879 
1 1 1 -25 4   40 o 15.812  7.1325  11.733     57.963   36.828     78.143   -18.9641   86.426   18.398  8.2917  16.435  7.8327  1.963076       11.40627 
1 1 1 -25 4   41 o 8.5753  4.3609  -165.2400  49.573   -125.0286  66.016   -217.2341  75.068   11.453  5.7249  10.673  5.4218  0.7801151      7.884761 
1 1 1 -25 4   42 o 14.415  6.9309  -41.0338   71.003   6.8735     78.919   -244.5322  162.654  16.917  7.8806  16.123  8.1686  0.7940998      11.35031 
1 1 1 -25 4   43 o 18.229  8.1836  37.211     75.266   47.675     83.788   -6.5190    171.284  19.076  8.5927  19.740  9.7565  -0.6645546     13.00096 
1 1 1 -25 4   44 o 47.425  6.5007  346.696    72.837   524.917    100.877  152.587    105.278  56.420  7.5588  24.746  10.384  31.67443       12.84394 
1 1 1 -25 4   45 o 22.835  8.4791  99.305     62.605   76.702     88.531   121.913    88.543   20.706  9.1074  23.483  9.6592  -2.777588      13.27574 
1 1 1 -25 4   46 o 14.815  7.2628  -72.3549   88.689   102.074    224.913  -104.4710  96.509   21.698  10.801  14.602  7.2361  7.095577       13.00107 
1 1 1 -25 4   47 o 28.542  10.845  219.641    103.701  454.374    256.362  173.717    113.393  25.917  12.628  24.755  10.597  1.161722       16.48500 
1 1 1 -25 4   48 o 18.010  8.4722  30.752     94.999   -298.0793  238.682  92.650     103.555  ?       ?       20.612  9.3907  0.000000       9.390718 
1 1 1 -25 5   1  o 40.052  5.9878  218.987    56.405   115.977    86.378   295.566    74.476   27.037  9.9754  45.834  6.9116  -18.79715      12.13585 
1 1 1 -25 5   2  o 23.554  8.8349  78.441     68.308   119.432    76.111   -91.2721   154.870  27.506  9.4446  21.118  10.174  6.387064       13.88206 
1 1 1 -25 5   3  o 33.819  10.201  190.411    90.680   236.696    108.847  85.419     163.937  36.688  11.201  26.894  12.075  9.794483       16.47009 
1 1 1 -25 5   4  o 36.627  10.025  219.373    91.688   252.713    108.868  138.027    170.054  38.175  11.093  29.110  12.717  9.065073       16.87544 
1 1 1 -25 5   5  o 20.629  7.9380  52.580     55.999   106.008    103.188  30.275     66.671   26.567  10.608  19.514  8.2300  7.053051       13.42617 
1 1 1 -25 5   6  o 24.607  7.7078  88.356     51.169   179.437    80.710   27.142     66.166   33.563  9.4885  19.255  8.1640  14.30786       12.51730 
1 1 1 -25 5   7  o 19.101  7.6544  37.890     53.938   9.3494     102.255  48.893     63.490   21.101  9.4999  20.779  8.3124  0.3221703      12.62312 
1 1 1 -25 5   8  f 46.367  6.1080  292.202    67.046   150.580    96.073   426.654    93.609   30.071  10.594  55.082  7.1743  -25.01117      12.79448 
1 1 1 -25 5   9  o 26.611  8.4092  106.427    60.772   107.399    93.868   105.726    79.740   26.611  10.267  26.354  9.6057  0.2568874      14.05965 
1 1 1 -25 5   10 o 21.172  8.0711  56.800     57.553   54.632     92.047   58.192     73.746   22.907  9.6661  22.166  8.9263  0.7409267      13.15725 
1 1 1 -25 5   11 o 41.405  9.5064  268.498    93.489   75.869     227.951  307.451    102.507  28.306  13.254  44.050  9.8389  -15.74425      16.50660 
1 1 1 -25 5   12 o 45.876  9.6250  329.366    103.721  490.681    235.481  290.536    115.532  43.179  16.358  41.039  11.262  2.139847       19.85964 
1 1 1 -25 5   13 o 19.567  8.6316  13.148     80.071   -74.1669   158.756  42.937     92.729   21.903  10.487  22.207  9.5468  -0.3048916     14.18159 
1 1 1 -25 5   14 o 22.371  8.3382  67.827     60.654   60.486     86.594   74.898     84.985   22.953  9.5073  23.900  9.5973  -0.9472942     13.50910 
1 1 1 -25 5   15 o 12.750  6.0856  -54.6601   52.586   -15.3783   70.259   -104.6921  79.292   17.011  7.7443  14.479  7.0478  2.531940       10.47117 
1 1 1 -25 5   16 f 40.957  7.1369  238.234    68.347   143.993    94.784   340.312    98.647   29.400  10.505  47.295  8.9232  -17.89564      13.78308 
1 1 1 -25 5   17 o 34.876  8.1388  181.987    67.617   222.829    91.006   131.659    101.025  36.955  9.9348  28.282  10.714  8.673464       14.61152 
1 1 1 -25 5   18 o 27.092  8.5455  112.397    62.780   36.788     84.888   203.678    93.272   21.217  9.1280  34.817  10.311  -13.59987      13.77051 
1 1 1 -25 5   19 o 40.826  7.8000  244.262    74.450   202.174    93.414   317.544    123.263  34.604  10.335  42.064  11.668  -7.460602      15.58672 
1 1 1 -25 5   20 o 16.830  7.8200  -32.1084   76.925   -32.1084   76.925   0.0000     0.0000   16.830  7.8200  ?       ?       0.000000       7.820017 
1 1 1 -25 5   21 o 16.597  7.7660  -39.6865   78.040   -39.6865   78.040   0.0000     0.0000   16.597  7.7660  ?       ?       0.000000       7.765991 
1 1 1 -25 5   22 f 22.027  8.9304  59.553     74.354   71.610     93.165   38.400     123.400  23.685  9.8402  23.276  10.462  0.4088020      14.36233 
1 1 1 -25 5   23 f 46.384  6.8167  303.801    74.432   367.378    100.984  228.181    110.135  48.887  8.8386  35.289  11.339  13.59761       14.37650 
1 1 1 -25 5   24 o 14.649  6.9249  -47.9044   64.910   39.625     80.595   -209.4926  109.506  20.881  8.9362  14.940  7.4532  5.940863       11.63640 
1 1 1 -25 5   25 o 41.799  8.8154  272.591    86.592   317.825    107.324  188.224    146.570  43.338  10.349  30.501  12.473  12.83700       16.20710 
1 1 1 -25 5   26 f 22.980  9.0317  75.117     73.710   -24.0424   94.213   231.598    118.351  18.543  8.6287  34.395  11.778  -15.85163      14.60092 
1 1 1 -25 5   27 o 24.028  8.3421  88.739     59.457   154.654    92.149   41.725     77.824   29.450  10.375  20.610  8.7998  8.839596       13.60448 
1 1 1 -25 5   28 o 75.682  5.4155  773.599    98.790   823.107    141.356  726.330    138.121  73.837  8.0189  68.588  8.4801  5.249947       11.67112 
1 1 1 -25 5   29 o 63.031  5.8570  549.012    88.551   411.122    131.391  663.768    119.863  46.509  11.664  66.822  7.5235  -20.31363      13.87979 
1 1 1 -25 5   30 o 38.004  8.7075  234.062    78.573   225.641    123.681  239.760    101.742  32.257  11.930  35.485  10.828  -3.227676      16.11098 
1 1 1 -25 5   31 o 30.471  10.920  187.208    102.492  118.929    295.416  196.551    109.280  26.233  12.937  30.722  11.238  -4.489532      17.13637 
1 1 1 -25 5   32 o 13.209  6.5769  -150.7753  83.607   0.0000     0.0000   -150.7753  83.607   ?       ?       13.209  6.5769  0.000000       6.576929 
1 1 1 -25 5   33 o 31.122  11.136  209.707    106.559  0.0000     0.0000   209.707    106.559  ?       ?       31.122  11.136  0.000000       11.13623 
1 1 1 -25 5   34 o 22.788  9.6960  88.930     93.890   0.0000     0.0000   88.930     93.890   ?       ?       22.788  9.6960  0.000000       9.695954 
1 1 1 -25 5   35 o 17.422  7.7355  21.193     65.336   26.338     104.757  17.918     83.585   19.782  9.1688  18.399  8.4034  1.382999       12.43723 
1 1 1 -25 5   36 o 45.864  7.1902  329.152    77.386   547.997    109.351  109.595    109.529  57.770  8.0173  23.313  10.195  34.45649       12.96979 
1 1 1 -25 5   37 o 14.493  6.7588  -15.9471   58.315   12.614     80.501   -47.4832   84.590   17.623  8.1220  15.580  7.5090  2.043270       11.06124 
1 1 1 -25 5   38 o 12.109  5.8940  -61.8959   55.459   -139.2001  74.427   34.614     83.160   12.099  6.0522  18.635  8.4609  -6.535777      10.40271 
1 1 1 -25 5   39 o 15.539  7.1548  0.6253     62.274   -49.2556   86.266   54.906     89.990   15.434  7.4742  19.701  8.8869  -4.267521      11.61208 
1 1 1 -25 5   40 o 17.658  7.5660  39.846     57.899   82.847     82.498   -1.8921    81.277   21.047  9.0251  16.701  7.8499  4.346441       11.96136 
1 1 1 -25 5   41 o 12.934  6.3417  -75.7410   67.714   -120.3434  77.232   72.497     140.799  12.695  6.3213  20.924  9.9793  -8.228664      11.81295 
1 1 1 -25 5   42 o 23.064  9.2841  111.959    79.741   110.861    91.508   115.425    162.550  22.607  9.5940  22.116  10.595  0.4908009      14.29329 
1 1 1 -25 5   43 o ?       ?       -181.5737  47.104   -372.7032  68.187   -7.0989    65.148   ?       ?       15.337  7.1496  0.000000       7.149601 
1 1 1 -25 5   44 o 15.346  7.0018  4.7411     57.846   53.701     84.816   -37.8374   79.096   19.417  8.7041  15.209  7.3132  4.208669       11.36856 
1 1 1 -25 5   45 o 16.881  7.9823  -3.0035    86.345   -30.4786   275.049  0.0002     90.943   20.641  10.475  17.237  8.1627  3.403891       13.27951 
1 1 1 -25 5   46 o 23.221  10.100  136.100    106.222  441.345    294.693  90.519     113.877  24.767  12.335  21.033  9.6811  3.734037       15.68027 
1 1 1 -25 5   47 o 26.364  10.598  195.300    103.759  287.103    303.338  183.136    110.420  22.365  11.312  25.048  10.579  -2.683529      15.48810 
1 1 1 -25 5   48 o 15.833  7.6867  -25.5066   92.700   -97.9731   286.991  -17.0652   97.951   ?       ?       16.325  7.9200  0.000000       7.919975 
1 1 1 -25 6   1  o 62.256  7.7261  560.225    114.200  555.750    136.821  570.502    207.354  59.218  9.8694  49.762  15.505  9.456711       18.37925 
1 1 1 -25 6   2  o 45.659  9.3363  325.036    99.945   309.968    120.238  358.723    179.780  41.851  11.490  39.724  14.432  2.127213       18.44724 
1 1 1 -25 6   3  o 36.441  10.376  222.584    96.159   256.145    115.242  145.658    174.473  37.779  11.523  29.331  12.846  8.448122       17.25681 
1 1 1 -25 6   4  o 32.486  7.2985  152.626    56.127   189.590    84.672   123.653    74.963   34.196  9.7365  27.988  9.3751  6.208679       13.51630 
1 1 1 -25 6   5  o 51.725  5.4761  356.350    67.684   369.297    97.867   344.480    93.707   49.913  8.3778  48.258  8.3021  1.654694       11.79455 
1 1 1 -25 6   6  f 39.842  6.2056  217.730    58.038   185.010    89.453   241.517    76.271   33.443  10.142  40.498  8.0453  -7.054783      12.94518 
1 1 1 -25 6   7  o 49.542  6.0883  333.432    71.647   405.968    104.456  268.987    98.458   52.239  8.5357  40.809  10.017  11.42999       13.16078 
1 1 1 -25 6   8  o 30.902  8.2457  143.885    62.975   168.115    96.535   125.935    83.090   31.514  10.638  28.111  9.8558  3.402529       14.50213 
1 1 1 -25 6   9  o 15.776  7.0524  -6.2941    55.277   -49.2559   90.001   19.728     70.044   17.558  8.2554  19.083  8.2504  -1.524654      11.67139 
1 1 1 -25 6   10 o 18.383  8.2955  -5.7092    78.501   59.581     205.323  -16.8869   84.955   27.276  12.708  18.444  8.4421  8.831795       15.25621 
1 1 1 -25 6   11 o 19.983  8.6772  23.146     78.154   116.965    203.265  6.8699     84.662   28.878  13.156  19.595  8.7460  9.283062       15.79825 
1 1 1 -25 6   12 o 49.966  9.0060  379.552    105.171  458.563    235.303  359.828    117.568  41.374  16.173  46.742  10.609  -5.368626      19.34217 
1 1 1 -25 6   13 o 53.852  6.1128  394.052    78.459   468.101    115.952  331.515    106.559  55.702  8.8771  45.590  9.9152  10.11139       13.30840 
1 1 1 -25 6   14 f 48.236  6.5107  321.405    74.255   282.799    107.239  356.964    102.920  41.038  10.670  48.237  9.1276  -7.199028      14.04156 
1 1 1 -25 6   15 o 28.243  8.7576  123.398    66.245   66.411     97.592   172.091    90.212   23.755  9.9848  32.060  10.258  -8.304592      14.31498 
1 1 1 -25 6   16 o 33.243  8.5955  169.707    69.846   239.173    101.961  108.289    95.874   37.436  10.693  26.491  10.332  10.94520       14.86950 
1 1 1 -25 6   17 o 63.885  5.3853  541.984    82.700   446.628    118.155  633.562    115.791  53.547  9.4389  66.855  7.2544  -13.30758      11.90459 
1 1 1 -25 6   18 o 72.374  5.2747  693.013    91.991   707.006    130.548  679.212    129.647  69.764  7.8485  68.177  7.9887  1.586708       11.19899 
1 1 1 -25 6   19 o 18.623  8.4277  -4.1216    81.696   -4.1216    81.696   0.0000     0.0000   18.623  8.4277  ?       ?       0.000000       8.427651 
1 1 1 -25 6   20 o 24.802  9.6895  90.500     84.420   90.500     84.420   0.0000     0.0000   24.802  9.6895  ?       ?       0.000000       9.689516 
1 1 1 -25 6   21 o 29.565  10.800  152.314    100.885  152.314    100.885  0.0000     0.0000   29.565  10.800  ?       ?       0.000000       10.80009 
1 1 1 -25 6   22 f 18.892  8.1184  24.104     67.010   33.442     83.452   7.1545     112.433  20.731  8.9841  21.303  9.7362  -0.5727119     13.24792 
1 1 1 -25 6   23 o 28.419  9.1313  130.233    71.429   169.929    85.369   37.573     130.430  31.666  9.9619  23.380  10.608  8.285872       14.55226 
1 1 1 -25 6   24 f 34.581  9.5116  197.107    82.305   266.528    101.481  63.675     140.692  39.324  10.455  24.676  11.123  14.64825       15.26545 
1 1 1 -25 6   25 o 11.731  5.7987  -111.9706  60.580   -117.3951  75.249   -101.9792  102.125  13.443  6.6101  16.627  8.0711  -3.183662      10.43246 
1 1 1 -25 6   26 o 35.054  7.6867  184.958    63.579   60.160     103.735  260.041    80.463   22.951  9.9815  41.054  8.3615  -18.10245      13.02095 
1 1 1 -25 6   27 o 79.509  5.2963  849.656    101.592  878.954    147.095  822.935    140.479  76.219  8.0768  73.961  7.9529  2.258797       11.33501 
1 1 1 -25 6   28 o 75.276  5.7765  779.040    104.704  789.825    140.286  765.478    157.321  71.747  8.2059  67.706  9.8663  4.041603       12.83282 
1 1 1 -25 6   29 o 24.447  8.9899  97.865     70.067   90.738     105.700  103.451    93.581   24.133  10.278  24.808  10.032  -0.6749058     14.36295 
1 1 1 -25 6   30 o 21.180  9.2881  49.110     91.473   -154.2786  284.511  72.558     96.602   22.932  11.521  22.668  9.7444  0.2640133      15.08947 
1 1 1 -25 6   31 o 18.413  8.6016  -11.0633   95.083   0.0000     0.0000   -11.0633   95.083   ?       ?       18.413  8.6016  0.000000       8.601571 
1 1 1 -25 6   32 o 15.543  7.5511  -79.6621   89.868   0.0000     0.0000   -79.6621   89.868   ?       ?       15.543  7.5511  0.000000       7.551073 
1 1 1 -25 6   33 o 18.801  8.6487  13.222     90.698   0.0000     0.0000   13.222     90.698   ?       ?       18.801  8.6487  0.000000       8.648703 
1 1 1 -25 6   34 o 15.300  7.1148  -15.4237   63.876   -59.0313   103.543  11.368     81.160   16.911  8.1893  17.973  8.2357  -1.062595      11.61428 
1 1 1 -25 6   35 o 18.001  7.8368  33.324     64.076   84.138     89.034   -21.2721   92.287   21.982  9.3995  17.192  8.1651  4.789949       12.45074 
1 1 1 -25 6   36 f 25.120  8.8901  120.042    67.730   -19.0384   93.485   273.699    98.262   17.176  8.1750  36.025  10.559  -18.84924      13.35380 
1 1 1 -25 6   37 o 21.039  8.2513  77.193     61.400   99.617     85.090   52.833     88.688   22.448  9.3717  19.755  8.8749  2.693218       12.90710 
1 1 1 -25 6   38 o 13.465  6.3877  -29.6178   56.173   -26.7434   79.169   -32.5321   79.715   15.674  7.4775  15.506  7.4259  0.1683550      10.53834 
1 1 1 -25 6   39 o 27.315  8.6865  143.561    64.767   78.974     89.675   213.988    93.642   20.816  9.1608  30.211  10.470  -9.395191      13.91199 
1 1 1 -25 6   40 o 14.363  6.9829  -57.9181   77.229   -76.1411   82.267   77.323     224.116  14.248  6.9868  21.480  10.707  -7.231445      12.78493 
1 1 1 -25 6   41 o 23.654  9.5395  123.409    84.360   198.517    91.528   -300.5642  217.459  29.023  10.328  ?       ?       0.000000       10.32774 
1 1 1 -25 6   42 f 11.413  5.6090  -74.1177   53.967   -84.2529   77.933   -64.7797   74.805   13.662  6.7196  13.947  6.8010  -0.2847738     9.560729 
1 1 1 -25 6   43 o 14.831  6.8376  -3.1368    57.129   -34.0594   81.119   27.294     80.471   15.480  7.4342  17.934  8.2116  -2.454098      11.07693 
1 1 1 -25 6   44 o 12.006  5.8252  -53.9405   53.031   -9.6936    74.649   -99.0215   75.349   15.893  7.4864  13.022  6.4423  2.871084       9.876727 
1 1 1 -25 6   45 o 12.414  6.2035  -130.0471  77.298   -199.1503  274.148  -124.0790  80.567   ?       ?       12.844  6.4049  0.000000       6.404941 
1 1 1 -25 6   46 f 14.531  7.1437  -72.8935   87.772   -299.4362  277.317  -47.6733   92.529   ?       ?       15.522  7.5681  0.000000       7.568067 
1 1 1 -25 6   47 o 16.997  8.0511  13.189     88.582   -30.0010   311.407  16.992     92.399   ?       ?       17.281  8.1965  0.000000       8.196468 
1 1 1 -25 7   1  o 21.260  9.0802  40.317     82.911   -10.7609   91.888   264.083    192.327  19.210  8.7881  33.924  14.120  -14.71375      16.63137 
1 1 1 -25 7   2  o 23.404  9.5548  69.698     85.835   74.968     95.201   46.800     198.447  24.120  9.9779  26.425  12.371  -2.304850      15.89335 
1 1 1 -25 7   3  o 18.736  7.4763  37.233     51.223   -35.2838   75.184   100.051    69.977   16.534  7.6988  25.632  9.0401  -9.097372      11.87409 
1 1 1 -25 7   4  o 27.808  7.6570  114.450    53.304   52.735     76.862   171.633    73.987   21.796  8.9863  33.115  8.9810  -11.31965      12.70483 
1 1 1 -25 7   5  o 13.929  6.3719  -19.5745   48.306   -41.2619   69.564   0.6217     67.131   15.641  7.3229  17.543  7.8123  -1.902812      10.70781 
1 1 1 -25 7   6  o 46.834  6.4777  302.929    71.641   302.005    99.861   303.909    102.836  43.651  9.6818  43.471  9.9627  0.1800613      13.89219 
1 1 1 -25 7   7  o 40.608  7.0543  233.515    66.984   201.430    96.134   263.791    93.386   34.490  10.526  40.792  9.5956  -6.301964      14.24305 
1 1 1 -25 7   8  o 17.457  7.5599  12.247     59.003   42.640     89.996   -10.6657   78.139   21.959  9.4215  18.060  8.2004  3.899485       12.49048 
1 1 1 -25 7   9  o 15.421  7.2924  -53.7321   72.100   -259.7820  160.155  -1.3566    80.746   18.208  9.0722  18.786  8.4513  -0.5781288     12.39870 
1 1 1 -25 7   10 o 27.903  9.9802  124.759    85.575   178.112    219.391  115.186    92.937   30.791  13.884  27.072  10.272  3.718618       17.27026 
1 1 1 -25 7   11 o 41.601  9.9396  278.933    98.960   419.008    234.970  248.730    109.109  39.383  15.907  37.742  11.145  1.640213       19.42306 
1 1 1 -25 7   12 o 27.563  8.5829  116.396    63.552   70.310     99.535   148.114    82.574   24.080  10.101  30.139  9.8292  -6.058781      14.09377 
1 1 1 -25 7   13 o 18.339  7.7947  22.476     60.563   -29.0195   96.908   55.479     77.579   18.919  8.7862  22.043  9.0511  -3.123915      12.61428 
1 1 1 -25 7   14 o 28.596  8.8827  127.613    68.117   185.952    101.941  80.553     91.557   32.612  10.933  24.403  9.9042  8.209448       14.75180 
1 1 1 -25 7   15 o 18.008  7.9008  10.056     66.262   54.659     102.735  -21.7152   86.707   23.237  10.019  18.288  8.4289  4.948778       13.09318 
1 1 1 -25 7   16 o 22.198  8.5478  65.640     64.972   122.595    97.711   20.500     86.989   27.481  10.507  20.380  8.9932  7.101158       13.83000 
1 1 1 -25 7   17 o 20.490  8.3339  46.177     64.993   103.948    92.960   -9.0641    90.902   26.014  10.166  19.186  8.7631  6.828453       13.42196 
1 1 1 -25 7   18 o 28.279  10.548  134.075    97.100   134.075    97.100   0.0000     0.0000   28.279  10.548  ?       ?       0.000000       10.54805 
1 1 1 -25 7   19 o 15.389  7.4474  -93.6398   85.281   -93.6398   85.281   0.0000     0.0000   15.389  7.4474  ?       ?       0.000000       7.447365 
1 1 1 -25 7   20 o 14.683  7.1861  -118.9270  85.773   -118.9270  85.773   0.0000     0.0000   14.683  7.1861  ?       ?       0.000000       7.186094 
1 1 1 -25 7   21 o 36.982  9.0680  216.792    80.747   295.591    119.369  150.319    109.637  40.101  11.605  29.092  11.128  11.00927       16.07801 
1 1 1 -25 7   22 o 19.401  7.7899  42.213     55.986   -1.9534    86.469   74.093     73.464   18.986  8.6232  23.020  9.0263  -4.034027      12.48332 
1 1 1 -25 7   23 o 28.008  9.9611  132.393    85.133   303.775    107.463  -156.4247  139.505  41.989  10.559  18.295  8.9967  23.69384       13.87162 
1 1 1 -25 7   24 o 19.663  8.5638  26.934     76.587   107.197    97.155   -104.8094  124.472  25.777  10.293  18.331  8.9013  7.445892       13.60805 
1 1 1 -25 7   25 o 29.094  9.9738  147.007    84.863   258.115    106.467  -46.5786   140.533  37.533  10.988  20.775  9.9254  16.75746       14.80719 
1 1 1 -25 7   26 o 46.789  6.9878  316.956    76.900   362.914    112.206  276.250    105.600  45.922  10.321  39.044  10.788  6.878887       14.93038 
1 1 1 -25 7   27 o 16.301  7.4174  -8.2669    64.357   -21.2859   96.156   2.2977     86.619   18.524  8.6523  18.818  8.5790  -0.2936993     12.18452 
1 1 1 -25 7   28 f 39.563  8.0315  242.985    74.467   272.831    106.690  214.632    103.986  37.935  10.969  33.073  11.042  4.861820       15.56441 
1 1 1 -25 7   29 o 53.663  6.4733  413.941    82.586   366.023    118.743  458.837    114.937  43.913  11.130  52.426  9.3798  -8.512951      14.55522 
1 1 1 -25 7   30 o 34.127  11.683  252.907    116.431  0.0000     0.0000   252.907    116.431  ?       ?       34.127  11.683  0.000000       11.68257 
1 1 1 -25 7   31 o 14.144  6.9728  -116.8541  85.555   0.0000     0.0000   -116.8541  85.555   ?       ?       14.144  6.9728  0.000000       6.972840 
1 1 1 -25 7   32 o 18.861  8.6923  12.239     92.197   0.0000     0.0000   12.239     92.197   ?       ?       18.861  8.6923  0.000000       8.692310 
1 1 1 -25 7   33 o 15.406  7.4607  -65.5949   85.940   417.614    297.999  -109.4291  89.754   28.264  13.735  14.525  7.1568  13.73899       15.48805 
1 1 1 -25 7   34 o 21.751  8.8154  81.131     72.423   118.176    111.655  54.226     95.155   23.831  10.360  20.494  9.2007  3.337507       13.85571 
1 1 1 -25 7   35 f 38.420  8.2168  250.554    74.280   131.778    103.148  378.506    107.058  24.400  10.261  43.999  10.223  -19.59863      14.48433 
1 1 1 -25 7   36 o 13.092  6.3257  -53.3557   60.943   -108.3967  84.497   6.3174     87.981   13.783  6.8195  17.651  8.2552  -3.868340      10.70766 
1 1 1 -25 7   37 o 18.410  7.9091  45.877     63.573   130.760    92.422   -30.3558   87.586   24.085  9.8831  16.143  7.7452  7.941874       12.55648 
1 1 1 -25 7   38 o 10.214  5.1294  -127.3265  56.070   -60.4036   82.172   -185.6325  76.699   14.719  7.1665  11.347  5.7345  3.372025       9.178422 
1 1 1 -25 7   39 o 17.040  7.5660  28.346     62.511   1.5339     90.417   52.897     86.520   17.269  8.1664  19.322  8.7151  -2.053308      11.94337 
1 1 1 -25 7   40 o 12.910  6.4253  -118.5594  79.412   -87.2112   85.142   -328.2357  220.196  14.160  6.9760  ?       ?       0.000000       6.976027 
1 1 1 -25 7   41 o 20.495  9.1129  74.905     90.992   62.792     98.643   144.023    235.638  20.006  9.1341  22.299  11.093  -2.292948      14.36968 
1 1 1 -25 7   42 o 25.443  8.7567  127.666    65.446   179.502    91.493   73.355     93.653   27.479  10.241  20.498  9.1703  6.981186       13.74680 
1 1 1 -25 7   43 o 12.010  5.8517  -60.4987   55.059   6.8789     76.594   -132.5432  79.202   16.730  7.7835  12.592  6.2905  4.138294       10.00768 
1 1 1 -25 7   44 o 24.200  10.128  146.429    99.732   307.721    290.193  124.827    106.201  23.536  11.799  22.752  9.9920  0.7839584      15.46173 
1 1 1 -25 7   45 o 13.820  6.8037  -80.1047   80.549   -226.0105  275.920  -66.5119   84.217   ?       ?       14.472  7.0911  0.000000       7.091063 
1 1 1 -25 7   46 o 15.072  7.3400  -43.9156   86.305   293.243    282.540  -78.6123   90.637   22.248  11.216  14.442  7.1304  7.806140       13.29074 
1 1 1 -25 8   1  o 13.920  6.3169  -14.3342   46.273   24.131     89.269   -28.4669   54.110   20.706  9.1249  14.219  6.5901  6.486504       11.25583 
1 1 1 -25 8   2  o 18.701  7.2898  39.966     47.703   -32.5843   71.720   97.527     63.883   16.240  7.5474  25.351  8.6537  -9.111315      11.48258 
1 1 1 -25 8   3  o 17.374  7.2175  23.783     50.112   52.387     76.053   1.8365     66.618   21.669  8.9371  17.517  7.7928  4.151766       11.85744 
1 1 1 -25 8   4  o 25.859  7.9415  99.897     54.623   105.422    78.842   94.796     75.747   26.107  9.5460  25.135  9.3280  0.9719372      13.34680 
1 1 1 -25 8   5  o 38.895  7.4804  218.988    68.032   198.472    93.908   241.647    98.693   34.248  10.392  37.950  10.406  -3.701427      14.70685 
1 1 1 -25 8   6  o 14.227  6.6339  -34.3084   56.146   -122.4167  79.887   51.693     78.926   14.000  6.8692  21.826  9.0616  -7.826191      11.37097 
1 1 1 -25 8   7  o 44.927  6.9938  284.852    73.761   315.288    99.924   248.411    109.337  44.788  9.4899  37.590  11.170  7.197483       14.65733 
1 1 1 -25 8   8  o 48.100  8.9084  352.554    100.142  335.396    194.979  358.701    116.711  37.477  14.702  46.542  10.575  -9.064983      18.11029 
1 1 1 -25 8   9  o 39.297  10.045  252.492    96.149   619.882    192.148  129.772    111.053  55.528  14.204  28.091  11.071  27.43760       18.00913 
1 1 1 -25 8   10 o 43.607  9.2237  295.655    94.545   291.815    206.967  296.667    106.283  34.905  14.598  42.296  10.423  -7.390461      17.93722 
1 1 1 -25 8   11 o 14.417  6.7176  -33.9365   57.401   -41.5774   87.223   -28.0990   76.237   17.510  8.1986  16.975  7.8514  0.5351810      11.35169 
1 1 1 -25 8   12 o 38.781  7.8387  221.234    71.224   189.803    106.050  247.061    96.131   32.678  11.150  38.713  10.120  -6.034828      15.05785 
1 1 1 -25 8   13 o 34.055  8.5047  177.547    70.065   149.056    107.426  198.639    92.429   29.384  11.068  34.327  10.286  -4.943741      15.11006 
1 1 1 -25 8   14 o 23.287  8.4779  77.890     62.090   106.874    97.497   58.116     80.532   26.305  10.372  22.305  9.1976  3.999971       13.86241 
1 1 1 -25 8   15 o 16.897  7.5136  0.4303     61.863   -76.7931   89.078   72.374     85.979   16.357  7.8380  23.533  9.5800  -7.175589      12.37786 
1 1 1 -25 8   16 o 21.908  8.6520  61.473     67.950   83.957     109.467  47.379     86.668   25.023  10.549  21.872  9.3112  3.150980       14.07068 
1 1 1 -25 8   17 o 21.265  9.3554  30.264     93.462   30.264     93.462   0.0000     0.0000   21.265  9.3554  ?       ?       0.000000       9.355352 
1 1 1 -25 8   18 o 21.113  9.3138  28.258     93.233   28.258     93.233   0.0000     0.0000   21.113  9.3138  ?       ?       0.000000       9.313782 
1 1 1 -25 8   19 o 40.049  10.936  281.264    109.260  281.264    109.260  0.0000     0.0000   40.049  10.936  ?       ?       0.000000       10.93585 
1 1 1 -25 8   20 o 19.926  8.3827  37.128     68.884   -15.4320   109.969  71.069     88.369   20.201  9.3740  23.334  9.6298  -3.133003      13.43890 
1 1 1 -25 8   21 o 24.738  8.4841  93.749     61.409   185.827    100.393  38.700     77.624   32.088  10.849  20.583  8.7883  11.50484       13.96179 
1 1 1 -25 8   22 f 19.544  8.6021  21.086     79.092   87.007     103.325  -72.2035   122.916  24.647  10.312  19.134  9.1790  5.512840       13.80523 
1 1 1 -25 8   23 o 18.294  8.3446  -5.9990    82.089   40.175     111.862  -59.8835   120.841  22.401  10.022  19.271  9.2058  3.130646       13.60843 
1 1 1 -25 8   24 o 19.371  8.4461  25.898     74.682   8.4298     100.700  47.251     111.332  20.265  9.2432  22.586  10.059  -2.320770      13.66092 
1 1 1 -25 8   25 o 29.301  8.2012  135.414    60.610   202.788    88.654   76.287     83.051   33.990  10.049  23.078  9.4076  10.91134       13.76511 
1 1 1 -25 8   26 o 28.760  9.1113  139.167    71.309   262.366    105.116  34.135     97.057   37.509  10.900  21.011  9.3722  16.49806       14.37550 
1 1 1 -25 8   27 f 33.892  8.7586  188.495    72.547   94.456     105.462  272.967    99.954   24.340  10.313  38.873  10.395  -14.53281      14.64308 
1 1 1 -25 8   28 o 27.676  8.9351  130.706    68.331   107.026    97.949   153.156    95.372   24.814  10.177  28.225  10.468  -3.410547      14.60021 
1 1 1 -25 8   29 o 23.501  9.8430  90.822     94.294   0.0000     0.0000   90.822     94.294   ?       ?       23.501  9.8430  0.000000       9.842954 
1 1 1 -25 8   30 o 19.854  9.0684  24.246     97.348   0.0000     0.0000   24.246     97.348   ?       ?       19.854  9.0684  0.000000       9.068362 
1 1 1 -25 8   31 o 19.876  8.9726  34.602     91.932   0.0000     0.0000   34.602     91.932   ?       ?       19.876  8.9726  0.000000       8.972560 
1 1 1 -25 8   32 o 34.681  10.952  256.081    103.095  277.800    273.409  252.481    111.311  26.548  12.958  33.216  11.421  -6.667751      17.27288 
1 1 1 -25 8   33 f 21.050  8.6746  71.901     71.579   187.845    105.239  -27.9130   97.644   28.400  10.893  17.336  8.2798  11.06439       13.68258 
1 1 1 -25 8   34 o 24.989  9.0077  119.721    69.840   143.961    96.469   93.024     101.243  25.462  10.225  22.289  9.7730  3.173450       14.14434 
1 1 1 -25 8   35 o 22.986  8.6353  98.856     65.304   137.170    88.681   53.465     96.526   25.033  9.8848  20.029  9.1023  5.004124       13.43731 
1 1 1 -25 8   36 o 27.504  8.9032  147.355    67.809   151.106    92.729   143.045    99.413   25.492  10.095  24.568  10.182  0.9243851      14.33814 
1 1 1 -25 8   37 o 18.112  7.7861  44.217     61.674   -17.1238   84.312   114.817    90.452   16.289  7.7557  22.902  9.6187  -6.613304      12.35597 
1 1 1 -25 8   38 o 18.082  7.7413  45.304     60.525   6.1973     84.921   85.677     86.286   17.142  8.0467  21.065  9.1322  -3.922508      12.17154 
1 1 1 -25 8   39 o 55.318  9.8037  599.799    126.772  711.088    142.724  183.784    275.948  59.052  10.338  22.485  11.303  36.56668       15.31756 
1 1 1 -25 8   40 o 27.761  10.616  197.183    99.765   183.735    108.970  266.847    248.015  26.012  10.709  23.775  11.749  2.236723       15.89714 
1 1 1 -25 8   41 o ?       ?       -232.5524  50.401   -209.0114  67.616   -261.9851  75.606   9.9985  5.0855  ?       ?       0.000000       5.085521 
1 1 1 -25 8   42 o 9.3449  4.7239  -143.7811  52.305   -199.1764  73.050   -85.5038   74.926   10.726  5.4383  13.327  6.5614  -2.601262      8.522112 
1 1 1 -25 8   43 o 16.677  7.9968  -16.9245   93.092   109.758    272.235  -33.6994   99.064   21.659  10.930  16.490  7.9918  5.168625       13.54016 
1 1 1 -25 8   44 o 82.892  9.3065  1323.90    183.946  2623.14    404.060  984.246    206.596  57.920  21.534  55.032  15.042  2.888390       26.26770 
1 1 1 -25 8   45 o 24.487  10.439  175.447    109.224  127.234    318.372  181.879    116.281  ?       ?       24.371  10.583  0.000000       10.58337 
1 1 1 -25 8   46 o 18.845  8.7046  62.449     93.237   104.720    292.011  57.651     98.387   ?       ?       18.705  8.7421  0.000000       8.742109 
1 1 1 -25 9   1  o 63.282  5.0219  527.322    76.477   431.927    110.088  616.297    106.320  53.179  8.8421  66.508  6.6785  -13.32869      11.08089 
1 1 1 -25 9   2  o 42.644  6.1145  249.775    61.458   116.626    87.251   380.885    86.581   26.952  10.009  51.832  7.0686  -24.88039      12.25376 
1 1 1 -25 9   3  o 39.945  6.9332  226.386    64.762   271.194    86.812   170.159    97.248   42.023  8.7962  31.306  10.677  10.71734       13.83373 
1 1 1 -25 9   4  o 39.691  7.4111  227.852    68.750   191.188    95.341   267.566    99.229   33.340  10.532  40.233  10.162  -6.893013      14.63542 
1 1 1 -25 9   5  o 37.794  7.7292  209.810    68.489   174.952    94.261   248.792    99.683   31.934  10.506  38.422  10.426  -6.487978      14.80160 
1 1 1 -25 9   6  o 42.854  9.8397  296.031    100.154  90.068     192.535  372.438    117.269  27.455  12.619  47.484  10.461  -20.02973      16.39077 
1 1 1 -25 9   7  o 38.756  9.9236  245.386    93.724   187.563    184.966  265.361    108.713  30.806  13.363  39.042  11.003  -8.236099      17.31009 
1 1 1 -25 9   8  f 17.456  7.9930  -17.5011   76.252   55.349     157.449  -39.8230   87.155   25.422  11.581  17.546  8.2090  7.876879       14.19538 
1 1 1 -25 9   9  o 28.243  10.196  131.251    89.542   300.250    184.083  78.871     102.483  35.975  14.230  24.585  10.276  11.38979       17.55273 
1 1 1 -25 9   10 o 50.660  6.2925  352.937    75.681   421.916    106.648  282.962    107.415  52.947  8.5962  40.762  10.718  12.18498       13.73939 
1 1 1 -25 9   11 o 28.823  8.4885  128.158    63.370   154.654    96.862   108.332    83.789   30.020  10.631  26.306  9.8011  3.713985       14.45933 
1 1 1 -25 9   12 o 43.064  7.2255  265.517    72.826   280.371    106.612  252.524    99.715   40.554  10.685  38.721  10.395  1.832661       14.90719 
1 1 1 -25 9   13 o 47.879  6.6096  319.819    74.739   310.856    111.479  327.138    100.730  42.698  10.763  45.540  9.4265  -2.841713      14.30768 
1 1 1 -25 9   14 o 46.270  6.9417  302.988    75.530   439.520    112.186  189.795    102.148  53.513  8.9566  32.681  10.944  20.83158       14.14169 
1 1 1 -25 9   15 o 64.031  5.5717  549.803    85.702   517.119    124.095  579.606    118.499  57.790  9.1551  62.834  7.9503  -5.044445      12.12531 
1 1 1 -25 9   16 o 36.745  10.060  225.857    92.325   234.570    102.029  186.481    216.899  36.611  10.768  30.278  13.715  6.332193       17.43661 
1 1 1 -25 9   17 o 34.995  12.410  245.141    132.046  245.141    132.046  0.0000     0.0000   34.995  12.410  ?       ?       0.000000       12.40997 
1 1 1 -25 9   18 o 21.629  9.4553  38.284     94.144   38.284     94.144   0.0000     0.0000   21.629  9.4553  ?       ?       0.000000       9.455268 
1 1 1 -25 9   19 o 38.983  8.7736  237.165    80.984   274.251    132.807  215.213    102.179  36.842  12.478  34.590  10.901  2.252247       16.56892 
1 1 1 -25 9   20 o 18.590  7.9974  23.389     65.159   60.732     95.226   -9.4874    89.350   22.848  9.7441  18.822  8.6307  4.026079       13.01675 
1 1 1 -25 9   21 o 22.558  9.4485  62.921     86.897   117.132    116.600  -4.8010    130.322  26.581  11.023  21.632  10.094  4.948355       14.94612 
1 1 1 -25 9   22 o 37.718  9.9793  242.054    92.745   219.013    118.763  278.070    148.483  33.222  11.771  35.277  13.066  -2.054443      17.58616 
1 1 1 -25 9   23 o 31.022  10.651  176.751    96.798   309.822    126.631  -10.3065   150.136  39.447  12.088  22.189  10.502  17.25829       16.01275 
1 1 1 -25 9   24 o 22.898  8.4833  79.278     62.597   139.182    102.596  43.754     79.006   27.618  10.712  20.667  8.8462  6.951468       13.89215 
1 1 1 -25 9   25 o 21.253  8.5583  60.796     67.787   -39.3956   118.924  109.014    82.501   19.424  9.2381  25.430  9.6707  -6.005913      13.37406 
1 1 1 -25 9   26 o 13.705  6.5780  -59.6569   63.321   -142.7463  103.320  -9.6767    80.133   15.406  7.6074  17.609  8.1110  -2.203149      11.12026 
1 1 1 -25 9   27 o 20.444  8.4176  54.112     67.326   124.798    101.003  -2.4110    90.319   25.946  10.447  18.596  8.5818  7.349541       13.52003 
1 1 1 -25 9   28 f 58.051  9.0467  558.216    123.275  520.153    259.561  569.302    140.083  34.718  15.417  55.683  10.757  -20.96500      18.79866 
1 1 1 -25 9   29 o 28.550  10.796  171.178    102.446  0.0000     0.0000   171.178    102.446  ?       ?       28.550  10.796  0.000000       10.79584 
1 1 1 -25 9   30 o 30.498  11.388  213.717    113.243  0.0000     0.0000   213.717    113.243  ?       ?       30.498  11.388  0.000000       11.38812 
1 1 1 -25 9   31 f 14.061  6.8579  -80.1358   76.161   -94.7063   214.725  -78.0390   81.458   20.761  10.370  14.633  7.1271  6.128276       12.58269 
1 1 1 -25 9   32 o 13.561  6.5149  -49.7409   62.416   -4.5886    98.235   -80.3096   80.828   18.172  8.5684  14.406  7.0348  3.765246       11.08630 
1 1 1 -25 9   33 o 17.281  7.6506  24.668     63.458   -9.5289    84.273   69.451     96.439   16.973  7.9828  21.040  9.3670  -4.067308      12.30713 
1 1 1 -25 9   34 o 12.533  6.1014  -64.3100   59.495   -21.4960   78.420   -122.3719  91.323   15.945  7.5595  14.044  6.9732  1.901091       10.28453 
1 1 1 -25 9   35 o 13.134  6.3125  -44.1091   58.755   -50.7466   78.751   -35.7759   88.239   14.813  7.1655  16.007  7.7037  -1.193763      10.52100 
1 1 1 -25 9   36 o 21.796  8.6160  90.798     67.444   128.150    94.388   51.831     96.406   23.583  9.8601  19.553  8.9657  4.029873       13.32689 
1 1 1 -25 9   37 o 15.122  7.0084  -3.0206    61.185   -20.7829   83.635   17.432     89.745   16.025  7.6562  17.791  8.3259  -1.765898      11.31097 
1 1 1 -25 9   38 o 23.788  9.8150  133.355    91.776   131.124    98.876   147.242    246.646  23.340  9.9410  22.102  11.050  1.238417       14.86377 
1 1 1 -25 9   39 o 17.782  8.3365  17.495     90.653   0.9127     98.144   113.855    236.587  17.510  8.3455  21.694  10.843  -4.184719      13.68273 
1 1 1 -25 9   40 o 15.397  7.0548  4.9152     59.538   -88.9361   82.950   104.644    85.508   13.907  6.8579  22.175  9.3347  -8.267562      11.58308 
1 1 1 -25 9   41 o 28.134  9.2520  163.655    73.104   136.442    102.150  192.224    104.664  23.607  10.081  26.923  10.705  -3.315935      14.70390 
1 1 1 -25 9   42 f 14.915  6.8906  -1.8778    58.462   14.908     81.364   -19.7939   84.057   17.241  8.0215  16.040  7.6667  1.201231       11.09605 
1 1 1 -25 9   43 f 30.075  11.400  262.080    114.416  184.886    317.340  273.615    122.667  21.867  11.112  29.699  11.658  -7.831900      16.10536 
1 1 1 -25 9   44 o 25.387  10.563  187.536    107.570  -12.9678   316.452  213.731    114.381  ?       ?       26.338  10.920  0.000000       10.91957 
1 1 1 -25 9   45 o 18.617  8.6986  53.748     97.311   -23.4876   289.567  63.581     103.320  ?       ?       19.060  8.9240  0.000000       8.924007 
1 1 1 -25 10  1  o 26.708  7.8121  107.326    53.835   158.025    86.748   75.570     68.656   30.573  10.080  23.115  8.8144  7.457661       13.39007 
1 1 1 -25 10  2  o 17.122  7.5132  7.6888     59.937   -36.8604   85.289   51.156     84.247   17.413  8.1386  21.931  9.2506  -4.517773      12.32109 
1 1 1 -25 10  3  o 54.387  5.9714  402.831    77.504   393.107    109.471  412.604    109.745  50.065  9.3556  51.639  9.0909  -1.573586      13.04494 
1 1 1 -25 10  4  o 12.053  5.8705  -80.5813   55.259   -124.1592  79.234   -39.3148   77.104   13.827  6.7955  16.495  7.7188  -2.668702      10.28387 
1 1 1 -25 10  5  o 27.378  10.062  121.970    87.750   67.265     168.457  142.342    102.798  26.016  11.901  28.810  10.832  -2.793585      16.09216 
1 1 1 -25 10  6  o 26.584  10.068  112.326    89.193   101.225    172.296  116.390    104.248  27.284  12.303  26.947  10.693  0.3368797      16.30047 
1 1 1 -25 10  7  o 23.390  9.6456  69.361     88.576   109.728    172.272  54.854     103.272  27.590  12.384  23.160  10.016  4.430090       15.92685 
1 1 1 -25 10  8  o 15.116  7.2088  -63.3484   73.442   -238.3373  153.549  -11.4419   83.628   17.956  8.9361  18.414  8.4083  -0.4579620     12.27005 
1 1 1 -25 10  9  o 23.013  8.4026  75.899     61.055   57.988     89.145   91.724     83.794   22.662  9.5350  24.882  9.6720  -2.219887      13.58178 
1 1 1 -25 10  10 o 25.769  8.7753  102.247    65.689   173.365    92.238   29.058     93.572   31.785  10.390  21.216  9.3464  10.56932       13.97497 
1 1 1 -25 10  11 o 20.643  8.2852  49.859     63.301   -7.5817    89.853   106.458    89.192   19.113  8.7230  26.078  10.022  -6.965204      13.28659 
1 1 1 -25 10  12 o 48.226  6.6263  325.284    75.490   323.779    108.561  326.694    105.044  44.108  10.326  44.831  9.9193  -0.7236328     14.31840 
1 1 1 -25 10  13 o 18.664  7.9704  24.450     63.869   -38.8255   94.799   77.045     86.429   18.197  8.5288  23.773  9.6318  -5.576050      12.86515 
1 1 1 -25 10  14 o 20.619  8.3582  48.794     65.117   92.906     99.297   15.511     86.252   25.178  10.278  19.921  8.8644  5.257006       13.57237 
1 1 1 -25 10  15 o 31.455  8.7171  155.688    68.833   173.439    100.884  140.227    94.154   31.167  10.864  28.639  10.438  2.528179       15.06554 
1 1 1 -25 10  16 o 23.176  9.8223  64.077     95.704   64.077     95.704   0.0000     0.0000   23.176  9.8223  ?       ?       0.000000       9.822281 
1 1 1 -25 10  17 o 47.199  9.7871  361.809    108.407  361.809    108.407  0.0000     0.0000   47.199  9.7871  ?       ?       0.000000       9.787050 
1 1 1 -25 10  18 o 71.163  6.5304  706.956    111.502  780.384    158.837  635.617    156.562  69.845  9.6284  60.861  11.007  8.984016       14.62393 
1 1 1 -25 10  19 o 37.863  8.3198  220.288    74.348   188.761    107.023  249.695    103.362  31.782  11.183  37.412  10.791  -5.630026      15.54018 
1 1 1 -25 10  20 o 20.727  9.0298  35.447     85.201   67.881     114.292  -5.1228    127.827  23.814  10.414  21.433  9.9992  2.381031       14.43730 
1 1 1 -25 10  21 o 47.478  9.7471  371.408    108.527  482.551    140.336  206.039    171.181  51.588  11.504  30.337  13.004  21.25033       17.36276 
1 1 1 -25 10  22 f 29.879  10.408  161.681    92.599   149.891    122.502  177.398    141.438  28.097  11.436  29.318  12.148  -1.220665      16.68409 
1 1 1 -25 10  23 o 42.769  6.9836  266.286    69.971   332.963    112.738  224.509    89.238   42.973  10.819  35.971  9.9084  7.001472       14.67081 
1 1 1 -25 10  24 o 42.598  8.0733  280.151    80.392   363.583    132.695  231.770    101.047  42.192  12.243  35.059  10.807  7.132957       16.33037 
1 1 1 -25 10  25 o 51.104  6.8551  380.645    82.859   493.288    135.195  312.878    104.863  51.839  11.084  41.746  10.393  10.09306       15.19430 
1 1 1 -25 10  26 o 13.429  6.4674  -62.2855   62.459   -225.9648  115.583  5.2233     74.230   14.723  7.3899  17.726  8.0266  -3.003263      10.91038 
1 1 1 -25 10  27 o 29.453  10.631  174.584    97.332   134.968    225.486  183.656    107.902  25.796  12.390  29.459  11.093  -3.662565      16.63057 
1 1 1 -25 10  28 o 58.994  10.740  647.976    148.072  0.0000     0.0000   647.976    148.072  ?       ?       58.994  10.740  0.000000       10.73993 
1 1 1 -25 10  29 o 27.812  10.984  172.341    109.526  0.0000     0.0000   172.341    109.526  ?       ?       27.812  10.984  0.000000       10.98424 
1 1 1 -25 10  30 o 19.576  8.9210  31.470     93.544   0.0000     0.0000   31.470     93.544   ?       ?       19.576  8.9210  0.000000       8.921033 
1 1 1 -25 10  31 o 38.999  8.4046  258.215    77.185   165.859    108.931  351.340    109.384  26.630  10.805  41.587  10.759  -14.95709      15.24767 
1 1 1 -25 10  32 o 22.348  8.5019  89.337     63.780   55.171     88.197   126.791    92.344   20.113  8.9559  24.430  9.9349  -4.316811      13.37574 
1 1 1 -25 10  33 o 35.727  8.3918  223.860    71.510   187.389    95.462   270.493    107.946  28.376  10.483  33.545  11.250  -5.168594      15.37742 
1 1 1 -25 10  34 f 51.486  6.5955  409.976    80.502   376.900    107.790  451.692    121.053  42.506  10.510  45.717  11.038  -3.211655      15.24142 
1 1 1 -25 10  35 o 38.978  8.0209  262.554    73.329   366.121    98.542   134.038    109.771  43.364  9.6174  23.352  10.209  20.01196       14.02576 
1 1 1 -25 10  36 o 26.926  9.0552  148.494    69.937   212.470    95.785   75.442     102.354  29.387  10.554  20.495  9.3368  8.892267       14.09104 
1 1 1 -25 10  37 o 14.953  7.2513  -47.4957   81.863   -55.4888   86.885   15.713     244.330  15.079  7.3478  20.553  10.370  -5.474075      12.70921 
1 1 1 -25 10  38 o 13.578  6.7260  -101.0347  83.094   -75.3280   89.095   -272.8177  230.313  14.686  7.2157  ?       ?       0.000000       7.215673 
1 1 1 -25 10  39 o 18.857  8.5772  46.970     85.943   51.000     91.875   18.747     243.123  19.189  8.7818  20.578  10.378  -1.388784      13.59484 
1 1 1 -25 10  40 o 37.464  8.3429  251.537    73.892   291.306    103.742  210.587    105.273  34.799  10.986  28.026  10.856  6.773018       15.44475 
1 1 1 -25 10  41 o 17.139  7.5800  31.929     62.140   51.406     82.784   6.7895     94.049   18.996  8.5504  17.495  8.2898  1.500498       11.90919 
1 1 1 -25 10  42 o 13.314  6.5697  -87.0774   76.559   -102.8662  210.225  -84.6632   82.204   18.697  9.4533  13.854  6.8306  4.843716       11.66288 
1 1 1 -25 10  43 o 13.982  6.9020  -83.0242   84.774   6.4518     215.764  -99.3584   92.188   19.639  9.8879  14.139  7.0179  5.499475       12.12521 
1 1 1 -25 10  44 o 20.904  9.3467  104.938    97.143   697.024    221.958  -35.3474   108.040  32.287  14.300  16.296  7.9941  15.99159       16.38317 
1 1 1 -25 11  1  o 100.154 4.8482  1311.32    117.819  1305.15    167.077  1317.42    166.169  95.608  7.2562  96.231  7.1679  -0.6227036     10.19958 
1 1 1 -25 11  2  o 74.961  5.1930  744.568    93.871   659.799    130.212  836.296    135.451  66.525  8.2434  76.261  7.4138  -9.735550      11.08684 
1 1 1 -25 11  3  o 44.698  9.4426  317.892    99.201   452.872    188.629  266.286    116.633  43.736  14.870  37.938  11.597  5.797867       18.85771 
1 1 1 -25 11  4  o 29.229  10.288  145.418    90.577   455.291    179.342  39.309     104.946  45.059  14.468  22.337  9.8662  22.72191       17.51184 
1 1 1 -25 11  5  o 71.985  7.4432  745.318    128.129  550.869    226.970  836.271    155.229  45.149  16.242  74.064  8.8106  -28.91536      18.47820 
1 1 1 -25 11  6  o 48.802  9.3439  374.718    106.615  377.234    198.302  373.695    126.445  38.588  14.913  45.986  11.391  -7.398499      18.76544 
1 1 1 -25 11  7  o 37.944  8.1957  217.345    73.249   215.404    101.060  219.493    106.319  34.925  10.815  34.864  11.134  0.6115723E-01  15.52162 
1 1 1 -25 11  8  o 45.857  6.9061  297.968    74.459   241.449    105.986  353.050    104.629  36.840  11.009  47.177  9.4693  -10.33754      14.52154 
1 1 1 -25 11  9  o 71.582  5.2735  680.547    90.949   743.002    128.372  617.606    128.872  71.809  7.4773  64.028  8.5057  7.781410       11.32502 
1 1 1 -25 11  10 o 35.006  8.4273  188.363    70.721   139.891    99.420   238.010    100.620  28.536  10.667  37.013  10.638  -8.477552      15.06542 
1 1 1 -25 11  11 o 33.885  8.3725  176.540    68.438   185.286    98.757   168.458    94.927   32.313  10.760  31.040  10.549  1.273514       15.06830 
1 1 1 -25 11  12 o 75.038  5.1087  744.448    92.462   737.270    131.732  751.419    129.810  71.018  7.7715  72.055  7.5362  -1.037163      10.82545 
1 1 1 -25 11  13 o 98.843  4.8791  1279.07    117.017  1276.89    167.656  1281.13    163.401  94.253  7.3902  94.877  7.1505  -0.6237869     10.28319 
1 1 1 -25 11  14 o 63.166  5.6815  539.191    86.147   413.092    126.860  647.100    117.354  48.931  10.958  67.058  7.3319  -18.12675      13.18425 
1 1 1 -25 11  15 o 38.999  12.202  297.099    128.271  297.099    128.271  0.0000     0.0000   38.999  12.202  ?       ?       0.000000       12.20175 
1 1 1 -25 11  16 o 99.784  7.4414  1440.39    178.874  1440.39    178.874  0.0000     0.0000   99.784  7.4414  ?       ?       0.000000       7.441437 
1 1 1 -25 11  17 o 89.120  7.6036  1160.33    162.847  1160.33    162.847  0.0000     0.0000   89.120  7.6036  ?       ?       0.000000       7.603580 
1 1 1 -25 11  18 o 28.574  8.9633  132.553    69.167   152.929    95.102   109.672    100.779  29.299  10.517  25.950  10.440  3.349276       14.81886 
1 1 1 -25 11  19 o 33.307  10.587  200.348    96.210   351.233    120.035  -70.7487   160.896  44.044  11.205  21.240  10.266  22.80407       15.19709 
1 1 1 -25 11  20 o 15.797  7.4802  -48.3004   76.327   -132.1276  105.480  43.837     110.586  16.044  7.8762  22.346  9.9833  -6.302242      12.71616 
1 1 1 -25 11  21 o 13.858  6.7951  -109.7771  77.798   71.362     101.427  -368.6518  121.254  23.284  9.9963  13.409  6.8192  9.874680       12.10070 
1 1 1 -25 11  22 o 26.449  8.5215  113.200    62.175   205.089    104.796  63.286     77.238   32.494  11.084  21.828  9.0049  10.66692       14.28064 
1 1 1 -25 11  23 o 27.218  9.3639  127.583    74.832   178.861    124.426  98.524     93.666   29.241  11.657  24.516  9.9918  4.725420       15.35333 
1 1 1 -25 11  24 o 48.442  7.3673  351.527    83.867   461.816    136.707  284.969    106.200  48.878  11.685  38.852  10.849  10.02599       15.94538 
1 1 1 -25 11  25 o 15.000  6.9515  -20.3479   60.197   -53.3889   109.983  -6.2164    71.927   18.078  8.6750  16.911  7.7505  1.166868       11.63297 
1 1 1 -25 11  26 o 35.142  10.754  243.779    100.260  320.232    230.600  225.958    111.334  30.036  13.807  32.328  11.403  -2.292650      17.90669 
1 1 1 -25 11  27 o 18.004  8.3286  -0.9363    85.820   0.0000     0.0000   -0.9363    85.820   ?       ?       18.004  8.3286  0.000000       8.328582 
1 1 1 -25 11  28 o 34.601  11.758  276.124    117.931  0.0000     0.0000   276.124    117.931  ?       ?       34.601  11.758  0.000000       11.75802 
1 1 1 -25 11  29 o 21.179  9.2714  65.962     90.794   0.0000     0.0000   65.962     90.794   ?       ?       21.179  9.2714  0.000000       9.271379 
1 1 1 -25 11  30 o 19.582  8.2960  53.530     68.232   95.282     97.820   13.966     95.221   22.636  9.7683  18.678  8.6859  3.958237       13.07151 
1 1 1 -25 11  31 o 9.8209  4.9447  -136.4566  53.948   -190.4778  71.827   -66.5417   81.713   10.889  5.5072  14.767  7.1800  -3.877637      9.048793 
1 1 1 -25 11  32 o 14.236  7.1001  -141.6205  99.117   -167.2835  105.817  41.978     283.034  14.252  7.1419  22.012  11.113  -7.760777      13.20989 
1 1 1 -25 11  33 o 20.773  8.3358  76.701     64.062   173.616    85.443   -47.7240   96.814   27.873  9.9722  16.170  7.8514  11.70301       12.69204 
1 1 1 -25 11  34 o 18.221  7.8486  45.971     62.917   105.252    85.058   -25.6543   93.495   22.320  9.3483  16.499  7.9380  5.820271       12.26391 
1 1 1 -25 11  35 o 20.314  8.2865  74.661     64.492   66.965     86.376   84.357     96.949   19.889  8.8589  20.832  9.3243  -0.9429836     12.86165 
1 1 1 -25 11  36 o 24.561  8.9869  126.334    69.894   107.248    91.025   153.755    109.103  22.030  9.4643  23.997  10.336  -1.966824      14.01451 
1 1 1 -25 11  37 o 20.914  9.3590  88.702     97.615   106.199    104.696  -27.6881   270.027  21.691  9.7007  20.221  10.273  1.470659       14.12919 
1 1 1 -25 11  38 o 18.119  8.3810  31.568     86.884   33.586     92.522   16.503     252.777  18.394  8.5566  20.508  10.368  -2.113668      13.44318 
1 1 1 -25 11  39 o 22.561  8.5966  101.091    65.272   163.486    87.330   22.117     98.250   26.226  9.9553  18.197  8.5769  8.028921       13.14046 
1 1 1 -25 11  40 f 14.997  7.0054  -7.1722    63.061   -19.6173   87.044   6.5749     91.484   16.179  7.7514  17.332  8.2016  -1.153038      11.28496 
1 1 1 -25 11  41 o 18.763  8.5677  47.964     86.825   223.462    209.873  11.726     95.369   23.102  11.293  17.580  8.3351  5.521795       14.03556 
1 1 1 -25 11  42 f 15.962  7.6950  -22.5614   88.962   -83.4023   220.579  -10.7426   97.219   18.763  9.5065  16.748  8.0666  2.014610       12.46771 
1 1 1 -25 11  43 o 18.841  8.7109  58.686     93.700   -9.9554    218.620  74.132     103.708  19.048  9.6314  19.541  9.0797  -0.4927502     13.23649 
1 1 1 -25 12  1  o 55.927  5.9904  428.269    80.026   414.077    115.402  441.415    111.070  50.635  9.7465  53.442  8.8769  -2.806137      13.18311 
1 1 1 -25 12  2  o 88.003  7.0476  1099.44    149.227  1255.34    259.083  1022.04    182.549  79.621  13.917  80.220  9.5672  -0.5994415     16.88851 
1 1 1 -25 12  3  o 94.570  6.8751  1259.76    156.681  1217.12    266.281  1282.33    193.777  76.202  14.935  91.439  8.8443  -15.23695      17.35773 
1 1 1 -25 12  4  o 94.518  7.0617  1267.35    160.784  1084.69    270.851  1366.75    199.795  67.860  16.589  94.494  8.8158  -26.63327      18.78576 
1 1 1 -25 12  5  o 18.247  8.3440  -11.0264   82.718   42.557     165.105  -28.9836   95.579   24.852  11.516  18.584  8.6623  6.268074       14.41011 
1 1 1 -25 12  6  o 24.673  8.7954  92.958     66.410   125.397    95.576   62.676     92.343   27.380  10.410  22.948  9.6825  4.432413       14.21661 
1 1 1 -25 12  7  o 16.572  7.5200  -10.4636   65.570   -118.6033  91.595   103.205    93.908   15.262  7.4604  25.715  10.166  -10.45306      12.61000 
1 1 1 -25 12  8  o 24.741  8.9012  93.746     68.166   91.076     98.556   96.194     94.382   24.951  10.218  25.215  10.118  -0.2638969     14.38014 
1 1 1 -25 12  9  o 96.406  4.9723  1223.12    115.918  1095.48    162.315  1355.97    165.599  86.446  7.8232  97.830  7.0230  -11.38448      10.51304 
1 1 1 -25 12  10 o 97.691  4.8784  1250.28    115.637  1199.56    161.125  1304.14    166.059  91.401  7.3268  95.530  7.2173  -4.128448      10.28450 
1 1 1 -25 12  11 o 90.454  5.0143  1079.17    109.622  1018.60    151.486  1145.76    158.833  83.815  7.5291  89.132  7.4114  -5.316261      10.56487 
1 1 1 -25 12  12 o 49.050  6.6378  338.629    76.969   345.428    108.416  331.719    109.291  45.692  10.052  44.345  10.346  1.346375       14.42535 
1 1 1 -25 12  13 o 18.731  7.9985  26.387     64.309   95.275     94.415   -33.2311   87.833   25.039  10.094  17.673  8.2597  7.365870       13.04278 
1 1 1 -25 12  14 o 30.969  10.857  174.488    100.823  174.488    100.823  0.0000     0.0000   30.969  10.857  ?       ?       0.000000       10.85672 
1 1 1 -25 12  15 o 33.542  11.012  207.527    103.569  207.527    103.569  0.0000     0.0000   33.542  11.012  ?       ?       0.000000       11.01151 
1 1 1 -25 12  16 o 29.551  10.922  160.289    103.626  160.289    103.626  0.0000     0.0000   29.551  10.922  ?       ?       0.000000       10.92155 
1 1 1 -25 12  17 o 23.563  8.7558  84.181     66.782   33.011     98.587   127.570    90.783   21.316  9.4814  27.226  10.191  -5.910631      13.91917 
1 1 1 -25 12  18 o 35.414  10.302  221.538    93.850   272.955    119.482  138.717    151.641  37.234  11.794  27.478  12.007  9.755430       16.83012 
1 1 1 -25 12  19 o 18.069  8.2048  -1.0163    78.229   -11.7702   102.311  14.121     121.383  19.435  9.0264  21.543  9.9442  -2.108068      13.42992 
1 1 1 -25 12  20 o 48.149  9.2248  376.163    103.849  393.447    130.843  346.739    170.713  45.273  11.793  36.809  13.932  8.463985       18.25322 
1 1 1 -25 12  21 o 39.532  7.2576  232.231    67.050   265.036    108.159  211.755    85.450   37.226  11.121  34.933  9.7238  2.293171       14.77251 
1 1 1 -25 12  22 o 52.761  6.5413  399.382    81.946   345.279    133.846  431.821    103.640  40.178  12.447  52.393  8.4392  -12.21442      15.03791 
1 1 1 -25 12  23 o 34.765  8.4884  196.443    70.981   281.384    122.479  153.487    87.099   36.197  11.979  28.703  10.089  7.494064       15.66176 
1 1 1 -25 12  24 o 27.944  9.2108  137.728    72.439   220.897    127.274  97.877     88.101   30.948  11.951  23.982  9.7217  6.966305       15.40556 
1 1 1 -25 12  25 o 14.967  7.1543  -50.8186   73.230   48.763     206.747  -65.1040   78.306   23.695  11.498  14.969  7.2171  8.726192       13.57547 
1 1 1 -25 12  26 o 16.182  7.6596  -32.9654   79.898   0.0000     0.0000   -32.9654   79.898   ?       ?       16.182  7.6596  0.000000       7.659641 
1 1 1 -25 12  27 o 24.465  10.003  116.440    94.247   0.0000     0.0000   116.440    94.247   ?       ?       24.465  10.003  0.000000       10.00274 
1 1 1 -25 12  28 o 26.978  10.175  152.929    90.860   0.0000     0.0000   152.929    90.860   ?       ?       26.978  10.175  0.000000       10.17534 
1 1 1 -25 12  29 o 22.197  9.3278  88.808     85.145   92.111     215.572  88.197     92.680   23.042  11.301  22.163  9.5363  0.8784199      14.78699 
1 1 1 -25 12  30 o 30.780  9.4970  186.851    78.013   254.397    121.622  139.633    101.688  30.785  11.733  24.806  10.291  5.979513       15.60705 
1 1 1 -25 12  31 o 53.446  6.4397  434.915    81.829   219.434    109.604  706.278    122.998  29.169  11.134  64.852  7.9852  -35.68325      13.70107 
1 1 1 -25 12  32 o 13.783  6.5566  -30.8671   59.981   -10.4218   80.073   -57.0078   90.541   16.304  7.7023  15.464  7.5278  0.8400021      10.77002 
1 1 1 -25 12  33 o 16.853  7.4714  27.644     60.723   -9.5593    88.477   60.772     83.491   16.714  7.9547  19.601  8.7218  -2.887098      11.80449 
1 1 1 -25 12  34 o 16.328  7.2920  22.378     58.937   -69.4035   82.452   118.266    84.276   14.335  7.0224  22.997  9.4372  -8.661340      11.76324 
1 1 1 -25 12  35 o 10.258  5.1235  -103.8057  52.425   -26.1040   73.855   -182.7200  74.429   15.013  7.1789  11.077  5.6025  3.936590       9.106277 
1 1 1 -25 12  36 o 16.795  8.0572  -11.2448   94.749   -70.4562   101.245  406.254    268.844  15.521  7.6388  24.641  12.187  -9.119939      14.38303 
1 1 1 -25 12  37 o 19.213  8.7631  55.357     90.496   45.927     95.844   132.849    274.760  18.918  8.7690  21.523  10.875  -2.604689      13.97028 
1 1 1 -25 12  38 o 17.296  7.6684  34.091     63.980   14.680     85.709   58.520     96.152   17.338  8.1209  19.501  8.9462  -2.163345      12.08237 
1 1 1 -25 12  39 o 18.365  7.9302  50.118     64.554   92.935     85.912   -5.4042    97.832   21.211  9.1540  17.165  8.2222  4.046436       12.30445 
1 1 1 -25 12  40 o 17.350  8.1908  12.120     90.269   -151.5081  218.605  45.756     99.114   18.305  9.2941  18.919  8.8191  -0.6135368     12.81238 
1 1 1 -25 12  41 o 23.368  9.8079  139.160    93.943   -57.5012   235.966  176.202    102.409  19.177  9.7287  25.109  10.365  -5.931902      14.21540 
1 1 1 -25 12  42 o 16.247  7.8096  -8.3374    89.986   -184.9535  207.184  32.726     99.901   ?       ?       17.978  8.5258  0.000000       8.525824 
1 1 1 -25 12  43 o 17.676  8.2450  42.534     86.844   64.925     216.904  38.260     94.771   19.268  9.7276  17.681  8.3611  1.587177       12.82703 
1 1 1 -25 13  1  o 19.510  8.7165  13.332     84.304   58.296     198.686  3.4595     93.100   25.940  12.217  19.677  8.9412  6.262367       15.13974 
1 1 1 -25 13  2  o 46.164  9.5855  344.594    103.859  258.249    201.727  375.735    121.149  32.336  13.991  46.404  10.938  -14.06782      17.75929 
1 1 1 -25 13  3  o 40.293  9.7692  267.904    94.521   253.308    183.495  273.176    110.278  32.675  13.710  38.866  11.127  -6.190422      17.65767 
1 1 1 -25 13  4  o 26.192  8.7958  108.288    65.988   29.500     92.631   189.469    94.027   20.968  9.2650  32.787  10.471  -11.81896      13.98116 
1 1 1 -25 13  5  o 17.467  7.7302  6.9036     64.730   134.338    91.360   -121.5515  91.725   28.036  10.272  15.157  7.4210  12.87829       12.67237 
1 1 1 -25 13  6  o 20.018  8.3292  41.085     66.891   -19.7264   92.753   106.990    96.558   18.662  8.6419  25.896  10.286  -7.233559      13.43463 
1 1 1 -25 13  7  o 19.570  8.1845  36.926     65.059   -8.7512    94.750   77.672     89.489   19.285  8.8596  23.718  9.7279  -4.432856      13.15773 
1 1 1 -25 13  8  o 21.456  8.6055  58.380     68.236   56.703     93.184   60.320     100.200  22.515  9.6214  23.026  9.9117  -0.5117512     13.81351 
1 1 1 -25 13  9  o 31.010  8.7294  152.931    68.464   117.281    98.043   186.858    95.646   26.601  10.428  32.394  10.579  -5.792856      14.85507 
1 1 1 -25 13  10 o 44.423  7.1705  285.195    74.657   253.908    105.003  317.181    106.170  37.649  10.881  43.326  10.258  -5.676899      14.95405 
1 1 1 -25 13  11 o 38.085  8.3190  222.874    74.724   215.183    107.330  230.109    104.095  33.944  11.213  35.533  10.971  -1.589603      15.68756 
1 1 1 -25 13  12 o 34.028  8.8556  185.036    73.823   203.762    108.382  168.828    100.828  32.854  11.271  30.416  10.838  2.438107       15.63645 
1 1 1 -25 13  13 o 43.625  7.5587  280.916    77.113   249.472    109.383  311.984    108.727  36.602  11.238  42.318  10.609  -5.715832      15.45421 
1 1 1 -25 13  14 o 27.216  10.633  129.053    101.653  129.053    101.653  0.0000     0.0000   27.216  10.633  ?       ?       0.000000       10.63257 
1 1 1 -25 13  15 o 20.207  9.2285  6.8577     100.778  6.8577     100.778  0.0000     0.0000   20.207  9.2285  ?       ?       0.000000       9.228531 
1 1 1 -25 13  16 o 45.173  7.3088  299.379    77.373   315.791    111.929  284.360    107.076  41.877  10.907  39.695  10.821  2.182232       15.36393 
1 1 1 -25 13  17 o 59.495  9.2034  567.464    128.569  541.023    144.473  668.120    281.877  54.931  11.219  41.569  17.180  13.36240       20.51885 
1 1 1 -25 13  18 o 21.165  9.0280  50.009     81.768   20.582     106.479  92.304     127.654  20.940  9.5331  24.890  10.942  -3.950331      14.51249 
1 1 1 -25 13  19 o 23.342  10.187  71.905     108.860  71.905     108.860  0.0000     0.0000   23.342  10.187  ?       ?       0.000000       10.18676 
1 1 1 -25 13  20 o 25.488  8.4161  105.255    60.468   76.683     100.175  121.632    75.843   23.233  9.9533  26.566  9.4068  -3.332863      13.69515 
1 1 1 -25 13  21 o 16.722  7.4207  8.4817     60.048   8.1454     111.810  8.6181     71.186   20.393  9.4593  17.730  7.9591  2.663046       12.36224 
1 1 1 -25 13  22 o 54.953  6.5173  436.123    85.206   530.581    136.519  375.848    109.055  53.870  10.820  46.286  10.002  7.583241       14.73493 
1 1 1 -25 13  23 o 17.879  7.7904  24.154     63.442   -7.7051    112.933  38.844     76.686   19.583  9.2197  19.672  8.5685  -0.8881378E-01 12.58651 
1 1 1 -25 13  24 o 14.125  6.8322  -68.5864   71.578   40.339     199.697  -84.6433   76.672   23.281  11.298  14.144  6.8946  9.136727       13.23539 
1 1 1 -25 13  25 o 30.618  10.468  191.930    93.482   371.067    226.585  155.184    102.623  30.549  13.907  27.037  10.647  3.511583       17.51495 
1 1 1 -25 13  26 o 25.860  10.314  139.724    97.449   0.0000     0.0000   139.724    97.449   ?       ?       25.860  10.314  0.000000       10.31413 
1 1 1 -25 13  27 o 24.662  9.6995  120.932    85.070   0.0000     0.0000   120.932    85.070   ?       ?       24.662  9.6995  0.000000       9.699535 
1 1 1 -25 13  28 o 16.529  7.6236  0.6516     71.130   -306.5352  219.351  36.749     75.193   18.146  9.2229  18.698  8.3005  -0.5519924     12.40804 
1 1 1 -25 13  29 o 13.876  6.6006  -34.1599   60.776   12.356     110.705  -54.2277   72.714   18.986  8.9953  14.305  6.9110  4.681026       11.34356 
1 1 1 -25 13  30 o 30.127  8.8498  171.719    68.958   231.188    101.348  120.454    94.097   30.976  10.884  23.447  9.8272  7.529175       14.66371 
1 1 1 -25 13  31 o 50.313  6.6020  393.818    78.652   507.928    114.414  291.579    108.300  51.789  9.4533  34.383  11.259  17.40646       14.70127 
1 1 1 -25 13  32 o 26.948  8.9173  146.438    67.871   187.402    91.113   95.371     101.732  27.870  10.251  21.377  9.5612  6.492643       14.01794 
1 1 1 -25 13  33 o 16.385  7.3651  21.718     61.175   -76.9768   85.156   126.971    87.940   14.307  7.0343  23.336  9.6156  -9.028688      11.91388 
1 1 1 -25 13  34 o 14.263  6.7156  -15.4647   59.931   -25.7820   80.396   -2.5603    89.912   15.453  7.4156  16.817  8.0079  -1.364510      10.91414 
1 1 1 -25 13  35 o 20.552  9.3453  85.083     101.932  -0.9316    109.267  661.956    282.973  17.656  8.5155  27.664  13.430  -10.00871      15.90254 
1 1 1 -25 13  36 o 20.568  9.3107  85.260     99.787   63.958     106.923  229.056    277.797  19.727  9.1839  22.262  11.210  -2.535318      14.49190 
1 1 1 -25 13  37 o 14.853  6.9241  -5.3719    61.106   -16.0045   82.021   7.8906     91.605   15.905  7.5942  17.271  8.1828  -1.365973      11.16374 
1 1 1 -25 13  38 o 17.454  7.6704  38.287     62.676   89.054     83.961   -25.6087   94.195   20.921  9.0391  16.301  7.8732  4.619818       11.98719 
1 1 1 -25 13  39 o 15.702  7.1975  10.441     62.056   -19.5371   82.551   49.393     94.100   15.763  7.5514  18.901  8.7355  -3.137560      11.54702 
1 1 1 -25 13  40 o 18.573  8.6124  46.586     92.580   -76.2434   209.418  76.422     103.214  18.588  9.4014  19.932  9.1897  -1.343481      13.14676 
1 1 1 -25 13  41 f 18.270  8.5388  45.009     93.879   105.077    228.535  32.815     102.968  20.285  10.209  18.036  8.5830  2.249619       13.33736 
1 1 1 -25 13  42 o 18.236  8.4452  55.118     88.603   326.037    217.540  1.2366     97.015   22.675  11.167  16.538  7.9882  6.136574       13.72974 
1 1 1 -25 14  1  o 41.735  10.225  297.013    102.729  271.992    212.495  304.644    117.353  32.196  14.137  40.479  11.441  -8.282803      18.18615 
1 1 1 -25 14  2  o 73.627  7.6163  795.697    134.099  789.716    249.887  798.115    158.920  53.265  17.075  70.510  9.5333  -17.24450      19.55646 
1 1 1 -25 14  3  o 61.633  5.4097  510.959    80.082   499.347    110.568  523.772    116.145  57.606  8.1369  58.649  8.4016  -1.043320      11.69596 
1 1 1 -25 14  4  o 28.443  8.4966  127.983    63.136   76.490     88.155   182.208    90.465   23.485  9.6465  32.205  10.269  -8.719887      14.08904 
1 1 1 -25 14  5  o 24.058  8.5836  88.529     63.263   67.808     85.570   113.507    93.950   22.808  9.4494  26.221  10.228  -3.412821      13.92478 
1 1 1 -25 14  6  o 17.606  7.6787  14.373     61.763   97.438     87.291   -68.9049   87.403   24.979  9.8249  16.252  7.7814  8.726664       12.53314 
1 1 1 -25 14  7  o 33.676  8.7062  180.054    71.663   58.871     102.467  296.077    100.261  22.927  9.9454  42.039  9.9787  -19.11219      14.08849 
1 1 1 -25 14  8  o 62.819  6.1165  545.030    92.047   370.513    126.990  738.217    133.611  44.833  11.589  70.351  7.9677  -25.51749      14.06381 
1 1 1 -25 14  9  o 63.642  5.9063  555.114    90.167   494.051    125.775  619.677    129.329  55.017  9.7802  63.439  8.6255  -8.422459      13.04038 
1 1 1 -25 14  10 o 44.805  7.2841  292.911    76.470   271.592    108.473  313.973    107.819  38.601  11.031  42.547  10.506  -3.946037      15.23342 
1 1 1 -25 14  11 f 18.713  8.0286  26.484     65.351   -86.6501   96.523   122.237    88.800   16.503  7.9706  26.824  10.071  -10.32065      12.84351 
1 1 1 -25 14  12 f 23.819  8.8842  87.048     68.881   107.196    98.617   67.855     96.251   25.621  10.321  23.067  9.8160  2.553522       14.24329 
1 1 1 -25 14  13 o 45.544  10.569  361.191    114.536  361.191    114.536  0.0000     0.0000   45.544  10.569  ?       ?       0.000000       10.56856 
1 1 1 -25 14  14 o 79.620  7.8309  947.759    149.328  947.759    149.328  0.0000     0.0000   79.620  7.8309  ?       ?       0.000000       7.830860 
1 1 1 -25 14  15 o 51.474  11.928  500.831    146.056  500.831    146.056  0.0000     0.0000   51.474  11.928  ?       ?       0.000000       11.92752 
1 1 1 -25 14  16 o 32.157  11.076  200.377    104.709  247.221    116.403  1.7399     239.700  34.998  11.683  24.793  12.108  10.20513       16.82555 
1 1 1 -25 14  17 o 15.844  7.4629  -38.5485   74.148   -102.8559  98.367   46.073     112.839  16.024  7.8104  22.239  9.9989  -6.215492      12.68785 
1 1 1 -25 14  18 o 22.746  9.3880  75.312     83.997   65.201     108.613  90.358     132.495  22.870  10.073  24.587  10.960  -1.716755      14.88582 
1 1 1 -25 14  19 o 50.826  6.0694  363.837    73.370   347.810    117.962  373.948    93.700   42.684  11.236  48.986  8.1710  -6.301682      13.89291 
1 1 1 -25 14  20 f 27.035  8.9707  125.300    68.669   26.698     126.844  166.180    81.673   21.637  10.050  30.250  9.7688  -8.613720      14.01509 
1 1 1 -25 14  21 o 15.243  7.1017  -23.5575   64.130   -15.7255   139.404  -25.6599   72.227   20.670  9.8779  15.975  7.4738  4.694859       12.38668 
1 1 1 -25 14  22 o 24.079  8.7211  98.354     65.581   127.623    121.076  86.202     78.017   25.385  10.911  22.892  9.1945  2.492580       14.26819 
1 1 1 -25 14  23 o 25.669  10.036  127.810    90.612   635.237    218.033  21.873     99.622   42.528  15.817  19.755  9.0789  22.77296       18.23768 
1 1 1 -25 14  24 o 32.816  10.533  220.056    95.054   267.143    225.108  209.838    104.862  27.555  12.986  30.807  11.045  -3.251646      17.04774 
1 1 1 -25 14  25 o 23.465  9.6209  103.271    87.491   0.0000     0.0000   103.271    87.491   ?       ?       23.465  9.6209  0.000000       9.620872 
1 1 1 -25 14  26 o 20.462  8.8448  61.379     80.469   0.0000     0.0000   61.379     80.469   ?       ?       20.462  8.8448  0.000000       8.844759 
1 1 1 -25 14  27 o 17.695  8.1061  15.497     78.556   0.0000     0.0000   15.497     78.556   ?       ?       17.695  8.1061  0.000000       8.106054 
1 1 1 -25 14  28 o 25.430  9.0157  126.876    69.688   97.880     127.982  139.097    83.086   22.209  10.237  25.526  9.7054  -3.317081      14.10665 
1 1 1 -25 14  29 o 23.225  8.4821  101.911    62.222   176.840    90.115   33.639     86.019   27.705  10.194  18.573  8.4987  9.131966       13.27213 
1 1 1 -25 14  30 o 21.637  8.2810  87.206     60.738   55.473     87.304   116.971    84.555   19.461  8.7681  23.153  9.4713  -3.692131      12.90681 
1 1 1 -25 14  31 o 18.563  7.8788  53.055     61.725   44.691     86.328   61.803     88.291   18.727  8.5482  19.598  8.8248  -0.8702106     12.28616 
1 1 1 -25 14  32 o 13.666  6.4817  -24.1657   57.773   110.488    84.528   -142.2135  79.145   22.269  9.3225  12.264  6.1503  10.00481       11.16853 
1 1 1 -25 14  33 o 16.565  7.4622  24.560     63.199   84.955     86.437   -44.8152   92.640   20.553  9.0206  15.591  7.5951  4.962661       11.79227 
1 1 1 -25 14  34 o 29.220  10.854  232.714    102.604  252.320    109.676  95.237     290.425  29.634  11.179  20.887  10.616  8.746891       15.41612 
1 1 1 -25 14  35 o 30.502  10.993  251.934    104.018  266.457    111.213  150.466    293.964  30.437  11.301  21.317  10.819  9.119833       15.64514 
1 1 1 -25 14  36 o 14.330  6.7918  -19.5685   63.219   -2.5162    85.241   -40.4132   94.245   16.513  7.8441  15.800  7.6889  0.7136564      10.98407 
1 1 1 -25 14  37 o 21.630  8.5794  94.413     67.083   77.025     89.879   116.281    100.796  20.139  8.9985  22.020  9.7004  -1.880905      13.23147 
1 1 1 -25 14  38 o 20.999  8.3819  86.773     64.403   45.977     88.692   132.278    93.671   18.565  8.5446  23.065  9.7429  -4.499613      12.95894 
1 1 1 -25 14  39 o 16.033  7.6453  -7.6071    82.562   -15.7907   202.905  -5.9833    90.383   19.089  9.6083  16.492  7.9008  2.596731       12.43960 
1 1 1 -25 14  40 o 13.345  6.5833  -76.5859   76.726   -130.5425  197.355  -66.9784   83.278   17.469  8.8659  14.097  6.9357  3.372878       11.25652 
1 1 1 -25 14  41 o 23.631  10.095  172.387    102.507  192.345    227.804  167.319    114.784  20.617  10.352  22.583  10.124  -1.966503      14.47973 
1 1 1 -25 15  1  o 14.440  6.7263  -29.5791   57.483   -35.6559   84.821   -24.4177   78.171   17.149  8.0473  16.997  7.8928  0.1520844      11.27185 
1 1 1 -25 15  2  o 28.037  8.7728  127.327    66.306   184.710    91.393   63.559     96.344   32.155  10.329  22.804  9.7651  9.351425       14.21390 
1 1 1 -25 15  3  o 33.300  8.2294  172.661    66.110   179.206    91.761   165.598    95.328   31.631  10.364  30.190  10.558  1.440954       14.79482 
1 1 1 -25 15  4  o 20.854  8.2689  56.390     62.297   86.429     84.161   19.985     92.653   23.969  9.5769  20.285  9.0948  3.684729       13.20733 
1 1 1 -25 15  5  o 21.183  8.2590  60.542     61.240   92.743     80.243   15.626     94.772   24.409  9.4714  20.211  9.1181  4.198301       13.14709 
1 1 1 -25 15  6  o 15.540  7.1248  -16.8974   60.860   -41.6279   81.755   13.842     91.148   16.634  7.8354  19.879  8.9575  -3.244471      11.90087 
1 1 1 -25 15  7  f 31.742  8.5844  160.756    67.708   75.985     93.345   254.880    98.359   23.456  9.8061  38.132  10.361  -14.67562      14.26561 
1 1 1 -25 15  8  o 43.881  7.3998  283.671    75.985   167.306    107.067  401.760    107.857  29.746  11.080  50.074  9.2167  -20.32793      14.41223 
1 1 1 -25 15  9  o 18.296  8.0424  16.491     68.940   -50.8045   93.617   96.222     101.900  17.354  8.2368  24.872  10.309  -7.518055      13.19530 
1 1 1 -25 15  10 o 59.172  6.3253  490.826    89.410   482.024    126.391  499.643    126.499  53.578  10.092  54.923  9.8542  -1.345547      14.10547 
1 1 1 -25 15  11 o 56.419  6.2804  446.135    84.517   503.082    118.100  386.355    121.002  56.394  8.9281  46.528  10.908  9.866543       14.09568 
1 1 1 -25 15  12 o 39.005  11.241  286.788    112.205  286.788    112.205  0.0000     0.0000   39.005  11.241  ?       ?       0.000000       11.24077 
1 1 1 -25 15  13 o 69.209  8.3384  738.558    137.207  738.558    137.207  0.0000     0.0000   69.209  8.3384  ?       ?       0.000000       8.338394 
1 1 1 -25 15  14 o 35.428  12.380  272.459    131.046  272.459    131.046  0.0000     0.0000   35.428  12.380  ?       ?       0.000000       12.37985 
1 1 1 -25 15  15 o 28.448  11.138  159.018    111.743  163.384    123.835  139.880    259.270  28.393  11.520  27.198  13.118  1.194931       17.45826 
1 1 1 -25 15  16 o 26.767  10.685  133.606    104.672  134.345    122.292  131.581    202.414  26.612  11.181  26.598  12.465  0.1384354E-01  16.74501 
1 1 1 -25 15  17 o 29.633  8.6559  145.780    66.134   42.967     115.699  195.674    80.599   21.969  9.9768  33.555  9.4804  -11.58588      13.76286 
1 1 1 -25 15  18 o 36.669  8.5910  219.290    75.099   243.468    133.092  207.995    90.964   32.333  12.286  33.413  10.246  -1.080078      15.99774 
1 1 1 -25 15  19 o 18.783  8.1172  32.218     67.737   197.720    125.804  -35.3524   80.384   29.582  11.744  16.348  7.7215  13.23362       14.05504 
1 1 1 -25 15  20 o 21.709  8.5612  72.540     66.441   2.5244     125.115  100.039    78.410   20.458  9.6535  24.039  9.3529  -3.581455      13.44124 
1 1 1 -25 15  21 o 16.630  7.5500  1.9477     66.199   39.563     125.253  -12.6326   77.981   21.512  9.9898  16.913  7.8637  4.598415       12.71355 
1 1 1 -25 15  22 o 25.103  9.7834  120.466    85.906   215.226    276.191  110.316    90.390   26.099  12.799  24.251  9.8415  1.847887       16.14516 
1 1 1 -25 15  23 o 29.477  10.313  180.109    90.950   -124.6451  255.074  224.499    97.349   21.317  10.735  32.705  10.673  -11.38829      15.13783 
1 1 1 -25 15  24 o 17.249  7.9589  2.9536     77.628   0.0000     0.0000   2.9536     77.628   ?       ?       17.249  7.9589  0.000000       7.958867 
1 1 1 -25 15  25 o 20.203  8.8238  58.126     81.820   0.0000     0.0000   58.126     81.820   ?       ?       20.203  8.8238  0.000000       8.823806 
1 1 1 -25 15  26 o 46.964  9.6643  413.063    106.455  0.0000     0.0000   413.063    106.455  ?       ?       46.964  9.6643  0.000000       9.664276 
1 1 1 -25 15  27 o 23.026  8.7242  101.167    66.987   104.607    119.980  99.609     80.743   22.336  10.150  22.458  9.2291  -0.1221809     13.71824 
1 1 1 -25 15  28 o 28.331  8.6972  153.135    65.521   192.224    93.043   114.683    92.282   28.492  10.377  22.909  9.6734  5.583218       14.18677 
1 1 1 -25 15  29 o 29.854  8.5494  168.141    65.092   229.936    95.594   114.720    88.881   30.930  10.586  22.722  9.5385  8.207962       14.24920 
1 1 1 -25 15  30 o 18.252  7.7895  49.976     60.933   -19.3236   88.855   111.495    83.719   16.244  7.7955  22.439  9.3258  -6.195250      12.15481 
1 1 1 -25 15  31 o 15.064  6.9330  3.6614     58.391   -93.0548   85.091   89.735     80.273   13.819  6.8385  20.920  8.9347  -7.100659      11.25138 
1 1 1 -25 15  32 o 12.193  5.9478  -58.4244   57.355   -68.5894   80.326   -47.8517   81.921   14.030  6.8848  14.747  7.1748  -0.7168093     9.943704 
1 1 1 -25 15  33 f 29.550  10.697  231.660    98.646   120.229    109.445  714.185    227.747  21.791  9.8177  33.507  14.676  -11.71609      17.65679 
1 1 1 -25 15  34 o 16.242  7.7776  -10.7862   87.385   -10.4384   91.154   -14.7333   307.093  16.447  7.8938  ?       ?       0.000000       7.893771 
1 1 1 -25 15  35 o 13.385  6.4121  -32.8688   59.525   -69.7257   84.604   3.2600     83.764   14.314  7.0324  16.582  7.8472  -2.268284      10.53725 
1 1 1 -25 15  36 o 16.717  7.5785  25.144     66.392   -27.1535   91.080   84.441     96.983   15.966  7.7190  20.396  9.2107  -4.430014      12.01746 
1 1 1 -25 15  37 o 15.455  7.1123  8.1715     61.427   -43.0956   85.947   61.704     87.825   15.134  7.3599  19.197  8.7079  -4.062363      11.40158 
1 1 1 -25 15  38 o 16.140  7.8038  -19.9280   93.167   100.414    270.836  -36.0798   99.222   20.490  10.398  15.988  7.8043  4.502383       13.00080 
1 1 1 -25 15  39 o 14.736  7.2227  -52.5716   87.587   -311.2296  269.472  -22.0175   92.616   ?       ?       15.875  7.7014  0.000000       7.701444 
1 1 1 -25 15  40 o 19.985  9.1828  98.539     101.859  321.720    272.289  62.226     109.833  21.342  10.788  18.639  8.8686  2.702658       13.96515 
1 1 1 -25 16  1  o 18.268  7.9061  22.827     64.452   177.503    89.365   -144.8438  93.043   31.399  10.225  14.538  7.1865  16.86087       12.49763 
1 1 1 -25 16  2  o 13.786  6.5330  -45.0185   58.450   -69.0540   82.675   -21.0000   82.646   15.641  7.5099  17.493  8.1206  -1.851645      11.06083 
1 1 1 -25 16  3  o 48.459  6.3694  331.355    73.078   305.296    99.283   362.165    107.957  42.562  9.8144  46.426  9.8866  -3.864208      13.93077 
1 1 1 -25 16  4  o 29.113  8.6730  137.625    65.851   233.555    91.520   34.647     94.822   36.683  10.005  21.028  9.3286  15.65532       13.67952 
1 1 1 -25 16  5  o 28.516  8.6004  131.559    64.460   60.177     87.502   216.264    95.319   22.121  9.3844  34.567  10.466  -12.44608      14.05700 
1 1 1 -25 16  6  o 51.024  6.3964  367.580    77.451   282.312    107.137  460.922    112.094  39.290  10.871  53.992  8.8641  -14.70229      14.02661 
1 1 1 -25 16  7  o 15.534  7.1224  -15.7512   60.834   38.086     83.634   -76.2397   88.649   20.565  8.9530  15.985  7.7001  4.579555       11.80881 
1 1 1 -25 16  8  o 25.825  8.7320  108.151    65.038   202.520    87.453   -8.6336    97.287   33.982  9.9616  19.156  8.8635  14.82598       13.33403 
1 1 1 -25 16  9  o 22.320  8.5312  73.528     64.410   53.608     85.324   99.919     98.208   21.550  9.2080  24.855  10.192  -3.304144      13.73551 
1 1 1 -25 16  10 o 85.774  5.2509  990.508    108.757  980.179    152.611  1001.17    155.029  80.509  7.9146  81.270  7.9641  -0.7609940     11.22795 
1 1 1 -25 16  11 f 58.698  8.0906  527.629    112.168  543.849    122.654  444.754    277.249  58.318  8.9542  33.869  15.405  24.44846       17.81853 
1 1 1 -25 16  12 o 63.593  8.8521  644.746    132.887  644.746    132.887  0.0000     0.0000   63.593  8.8521  ?       ?       0.000000       8.852124 
1 1 1 -25 16  13 o 25.618  10.949  115.116    120.694  115.116    120.694  0.0000     0.0000   25.618  10.949  ?       ?       0.000000       10.94887 
1 1 1 -25 16  14 o 48.000  11.085  426.231    126.497  435.361    142.301  391.838    276.179  45.903  12.458  31.845  14.804  14.05746       19.34813 
1 1 1 -25 16  15 o 56.945  10.087  560.940    134.268  589.993    151.741  456.135    288.203  55.741  11.597  32.609  15.147  23.13209       19.07638 
1 1 1 -25 16  16 o 11.514  5.5874  -63.2692   48.847   -186.6463  94.670   -18.5056   57.024   13.619  6.8147  14.743  6.8091  -1.124158      9.633488 
1 1 1 -25 16  17 o 56.096  6.5894  457.322    87.981   540.955    136.018  397.158    115.365  54.503  10.667  46.803  10.426  7.700737       14.91597 
1 1 1 -25 16  18 o 24.609  9.0042  104.588    70.164   98.975     122.338  107.339    85.651   24.084  10.644  24.536  9.7063  -0.4521637     14.40542 
1 1 1 -25 16  19 o 18.567  7.9851  34.434     64.920   3.1653     123.390  46.404     76.341   20.253  9.5660  19.975  8.6246  0.2784901      12.87994 
1 1 1 -25 16  20 o 26.788  8.9744  128.815    68.693   106.842    129.953  137.335    80.923   23.998  10.765  26.793  9.6902  -2.794672      14.48371 
1 1 1 -25 16  21 o 23.689  9.5973  103.776    85.808   -37.7191   270.399  119.620    90.485   22.566  11.324  24.735  9.9135  -2.168987      15.04998 
1 1 1 -25 16  22 o 18.483  8.1468  32.933     71.184   -239.9547  246.697  57.717     74.347   19.838  10.051  20.205  8.6131  -0.3668308     13.23700 
1 1 1 -25 16  23 o 17.608  8.1846  2.9757     84.386   0.0000     0.0000   2.9757     84.386   ?       ?       17.608  8.1846  0.000000       8.184603 
1 1 1 -25 16  24 o 13.126  6.4213  -78.1163   68.272   0.0000     0.0000   -78.1163   68.272   ?       ?       13.126  6.4213  0.000000       6.421297 
1 1 1 -25 16  25 o 17.636  8.1025  16.724     79.261   0.0000     0.0000   16.724     79.261   ?       ?       17.636  8.1025  0.000000       8.102466 
1 1 1 -25 16  26 o 11.909  5.8832  -91.1691   62.006   5.9099     114.733  -131.2214  73.695   18.648  8.9252  12.158  6.0729  6.490301       10.79534 
1 1 1 -25 16  27 o 36.330  8.3203  235.125    71.766   310.314    104.090  166.999    99.081   36.768  10.893  25.805  10.363  10.96235       15.03461 
1 1 1 -25 16  28 o 26.751  8.7458  142.417    65.358   144.378    99.063   140.905    86.974   23.992  10.071  24.478  9.7500  -0.4864159     14.01718 
1 1 1 -25 16  29 o 19.776  8.1768  70.576     63.886   156.410    89.632   -18.0569   91.082   25.134  9.9336  16.336  7.8535  8.798281       12.66309 
1 1 1 -25 16  30 o 20.588  8.3248  82.225     64.426   94.160     90.543   69.987     91.691   20.913  9.2041  19.683  8.9161  1.229677       12.81454 
1 1 1 -25 16  31 o 16.104  7.3139  19.578     62.193   59.019     86.142   -23.3667   89.886   18.997  8.6199  15.937  7.6957  3.059742       11.55541 
1 1 1 -25 16  32 o 18.960  8.6606  58.453     88.808   -7.5634    97.200   392.032    218.493  16.747  8.0662  25.261  12.149  -8.514032      14.58302 
1 1 1 -25 16  33 o 21.482  9.4558  110.221    95.589   136.521    108.293  17.441     203.400  22.418  9.9561  19.471  9.7775  2.946592       13.95432 
1 1 1 -25 16  34 o 17.288  7.7794  35.344     68.471   153.336    102.882  -58.4734   91.739   23.588  10.096  15.036  7.3742  8.552035       12.50206 
1 1 1 -25 16  35 o 18.417  8.0674  53.488     68.840   56.323     93.192   50.083     102.129  18.996  8.7487  18.900  8.8566  0.9551048E-01  12.44904 
1 1 1 -25 16  36 o 17.933  7.7741  48.909     62.525   83.454     87.921   13.563     88.936   20.201  8.9713  17.110  8.0938  3.090942       12.08276 
1 1 1 -25 16  37 o 16.621  7.9864  -3.3967    93.910   171.405    252.332  -31.5011   101.178  21.037  10.604  16.142  7.8798  4.894644       13.21158 
1 1 1 -25 16  38 o 30.438  11.503  298.974    116.267  508.575    282.432  256.206    127.578  23.622  11.812  26.274  11.244  -2.651821      16.30798 
1 1 1 -25 16  39 o 21.448  9.4865  129.243    97.350   63.205     270.719  139.050    104.328  ?       ?       21.626  9.6767  0.000000       9.676684 
1 1 1 -25 17  1  o 14.144  6.8069  -66.9108   68.886   -29.3357   109.326  -91.6517   88.712   19.099  9.0159  15.441  7.5019  3.657634       11.72877 
1 1 1 -25 17  2  o 44.228  8.0611  301.120    83.320   381.217    121.049  229.007    114.859  45.586  11.057  33.493  11.596  12.09274       16.02305 
1 1 1 -25 17  3  o 35.512  8.2495  198.574    69.725   120.495    96.967   282.164    100.330  26.142  10.332  39.915  10.293  -13.77280      14.58397 
1 1 1 -25 17  4  o 42.395  7.1710  265.106    71.135   326.416    97.078   194.014    104.536  44.571  9.2782  31.498  11.054  13.07233       14.43190 
1 1 1 -25 17  5  o 43.716  16.393  618.793    235.145  472.170    380.529  709.367    299.081  31.495  15.354  40.272  17.224  -8.776583      23.07404 
1 1 1 -25 17  6  o 33.608  8.7098  183.909    71.607   245.890    96.897   109.331    106.289  36.888  10.385  25.358  10.521  11.53024       14.78319 
1 1 1 -25 17  7  o 43.180  7.4098  278.465    74.839   225.848    103.117  337.027    108.786  34.271  10.967  43.621  10.421  -9.349354      15.12857 
1 1 1 -25 17  8  o 28.389  9.1313  136.936    71.414   175.270    95.943   89.313     106.938  30.403  10.595  24.137  10.311  6.265516       14.78360 
1 1 1 -25 17  9  o 22.637  8.6489  78.313     66.182   -3.3168    88.512   181.823    99.671   18.585  8.5471  30.647  10.791  -12.06210      13.76590 
1 1 1 -25 17  10 o 22.592  8.6369  78.232     66.023   106.136    87.371   41.088     100.804  24.972  9.8271  21.347  9.5347  3.625214       13.69243 
1 1 1 -25 17  11 o 23.047  9.7460  77.817     93.896   77.817     93.896   0.0000     0.0000   23.047  9.7460  ?       ?       0.000000       9.746035 
1 1 1 -25 17  12 o 22.924  10.237  65.707     116.151  65.707     116.151  0.0000     0.0000   22.924  10.237  ?       ?       0.000000       10.23722 
1 1 1 -25 17  13 o 13.644  6.8482  -208.7959  99.261   -208.7959  99.261   0.0000     0.0000   13.644  6.8482  ?       ?       0.000000       6.848232 
1 1 1 -25 17  14 o 23.144  10.171  77.765     110.225  41.853     120.061  270.399    278.067  21.854  10.015  28.473  13.697  -6.619123      16.96759 
1 1 1 -25 17  15 o 19.989  8.1144  53.297     61.471   -24.2703   101.435  98.317     77.277   18.357  8.6712  24.006  9.3003  -5.649281      12.71560 
1 1 1 -25 17  16 o 26.867  8.7540  124.576    65.501   90.227     111.376  142.738    80.987   23.508  10.280  27.653  9.7282  -4.144876      14.15355 
1 1 1 -25 17  17 o 14.948  6.8867  -13.5340   57.803   44.456     99.075   -43.4594   71.172   20.812  9.3622  14.996  7.1361  5.816525       11.77180 
1 1 1 -25 17  18 o 23.232  8.4274  91.061     61.273   -20.3022   106.595  146.015    74.880   18.498  8.7823  28.067  9.3700  -9.569859      12.84233 
1 1 1 -25 17  19 o 24.260  8.9559  105.796    69.643   76.752     122.572  119.643    84.631   22.470  10.229  24.930  9.7120  -2.459877      14.10526 
1 1 1 -25 17  20 o 16.558  7.8125  -21.9160   81.893   242.964    280.546  -46.5884   85.622   25.739  12.677  15.955  7.6557  9.784295       14.80927 
1 1 1 -25 17  21 o 25.849  9.9517  139.236    88.051   280.873    275.320  123.099    92.932   25.884  12.711  24.462  9.9593  1.422129       16.14777 
1 1 1 -25 17  22 o 18.331  8.3626  23.631     82.475   60.231     272.277  19.933     86.541   22.686  11.381  18.365  8.4480  4.321011       14.17364 
1 1 1 -25 17  23 o 25.103  9.8687  136.560    88.028   0.0000     0.0000   136.560    88.028   ?       ?       25.103  9.8687  0.000000       9.868735 
1 1 1 -25 17  24 o 21.313  8.9608  83.489     78.638   0.0000     0.0000   83.489     78.638   ?       ?       21.313  8.9608  0.000000       8.960838 
1 1 1 -25 17  25 o 17.716  8.0748  26.268     76.680   -38.0783   290.082  31.102     79.508   20.852  10.599  18.085  8.2351  2.766832       13.42200 
1 1 1 -25 17  26 o 34.905  9.2941  240.547    80.115   240.277    132.558  240.702    100.559  27.205  11.546  31.002  10.844  -3.796593      15.84019 
1 1 1 -25 17  27 o 16.741  7.4422  28.506     60.652   139.877    88.337   -70.8189   83.423   24.131  9.7513  14.311  7.0211  9.820007       12.01592 
1 1 1 -25 17  28 o 12.509  6.0553  -47.2794   56.472   -35.6858   82.083   -57.6990   77.815   15.150  7.3254  14.156  6.9104  0.9942884      10.07047 
1 1 1 -25 17  29 o 23.839  8.6453  118.857    64.476   33.205     91.909   201.853    90.473   17.989  8.4207  28.210  10.239  -10.22125      13.25717 
1 1 1 -25 17  30 o 14.507  6.8190  -9.0687    61.341   45.593     91.678   -53.3738   82.537   18.392  8.5429  14.516  7.0926  3.876224       11.10342 
1 1 1 -25 17  31 o 20.440  9.2041  92.181     96.037   167.632    108.647  -177.4410  205.382  23.803  10.283  ?       ?       0.000000       10.28318 
1 1 1 -25 17  32 o 15.564  7.4848  -19.3288   82.904   -5.7682    90.148   -93.6783   211.083  16.398  7.8647  18.227  9.2421  -1.829744      12.13546 
1 1 1 -25 17  33 o 16.998  7.5806  35.050     63.464   -13.5909   93.686   76.299     86.275   16.340  7.8818  19.734  8.8172  -3.394762      11.82648 
1 1 1 -25 17  34 o 25.402  8.9646  140.216    68.823   152.369    101.170  129.747    93.898   23.518  10.037  22.584  9.6548  0.9345570      13.92692 
1 1 1 -25 17  35 o 23.606  8.7688  120.494    66.968   88.932     93.631   153.552    95.822   20.317  9.1237  23.843  9.9489  -3.526411      13.49895 
1 1 1 -25 17  36 o 22.400  9.8593  140.068    103.912  438.217    259.415  83.087     113.408  23.812  11.811  19.826  9.3041  3.985569       15.03547 
1 1 1 -25 17  37 o 24.939  10.374  192.322    103.734  404.807    269.105  155.237    112.423  22.604  11.336  22.381  10.028  0.2225685      15.13486 
1 1 1 -25 17  38 o 16.789  8.0758  15.637     96.652   122.163    280.312  1.2632     102.966  ?       ?       16.568  8.0568  0.000000       8.056832 
1 1 1 -25 18  1  o ?       ?       -249.2258  73.526   90.992     116.116  -476.9410  94.997   24.195  10.541  ?       ?       0.000000       10.54095 
1 1 1 -25 18  2  o 20.622  8.5959  52.737     71.430   63.889     110.166  44.649     93.824   22.749  10.075  21.163  9.3393  1.585272       13.73801 
1 1 1 -25 18  3  o 15.204  7.1583  -36.5590   68.098   -0.0438    105.905  -62.2989   88.917   19.799  9.1917  16.294  7.8139  3.505514       12.06413 
1 1 1 -25 18  4  o 9.8410  4.9895  -195.4861  61.459   -394.8132  87.509   -1.4763    86.334   ?       ?       18.445  8.4675  0.000000       8.467470 
1 1 1 -25 18  5  o 11.796  5.7995  -92.8816   57.858   -54.7552   79.360   -136.1382  84.531   15.647  7.4708  13.765  6.8123  1.882721       10.11040 
1 1 1 -25 18  6  o 48.489  6.6680  340.503    76.376   279.164    103.284  414.519    113.456  38.767  10.652  49.221  9.8437  -10.45412      14.50388 
1 1 1 -25 18  7  o 35.455  8.4230  202.534    71.389   225.204    96.332   174.918    106.325  34.580  10.533  29.453  11.028  5.126978       15.24942 
1 1 1 -25 18  8  o 15.559  7.1284  -12.0261   60.775   7.3599     80.165   -38.2283   93.199   18.345  8.3210  17.432  8.2574  0.9138050      11.72275 
1 1 1 -25 18  9  o 34.794  8.5461  197.716    71.627   189.927    96.754   207.161    106.544  31.190  10.650  31.814  11.160  -0.6240826     15.42616 
1 1 1 -25 18  10 o 35.234  11.652  261.966    115.893  261.966    115.893  0.0000     0.0000   35.234  11.652  ?       ?       0.000000       11.65216 
1 1 1 -25 18  11 o 17.971  8.5219  -33.8686   99.785   -33.8686   99.785   0.0000     0.0000   17.971  8.5219  ?       ?       0.000000       8.521926 
1 1 1 -25 18  12 o 17.916  8.4939  -32.3287   99.017   -32.3287   99.017   0.0000     0.0000   17.916  8.4939  ?       ?       0.000000       8.493946 
1 1 1 -25 18  13 o 20.203  9.2947  21.160     104.807  59.947     114.852  -171.9340  256.260  22.215  10.028  21.670  10.893  0.5448704      14.80647 
1 1 1 -25 18  14 o 28.841  8.9679  146.162    69.410   67.235     109.307  199.491    89.850   22.273  9.9400  32.115  10.233  -9.841967      14.26603 
1 1 1 -25 18  15 o 38.775  8.0079  241.270    72.847   139.258    115.858  307.967    93.681   25.824  10.868  41.930  9.4359  -16.10579      14.39275 
1 1 1 -25 18  16 o 31.011  8.7649  167.610    68.878   160.184    114.922  171.773    86.046   26.838  11.018  29.506  10.043  -2.668142      14.90830 
1 1 1 -25 18  17 o 26.351  9.0397  127.255    69.716   237.783    115.581  64.044     87.408   31.730  11.565  21.123  9.1743  10.60711       14.76184 
1 1 1 -25 18  18 o 16.414  7.5455  -1.6930    68.886   -453.0021  201.878  57.780     73.285   ?       ?       20.195  8.5788  0.000000       8.578828 
1 1 1 -25 18  19 o 15.277  7.1649  -20.2889   67.073   -162.1435  235.823  -7.8036    69.962   20.142  10.165  16.112  7.4765  4.030088       12.61880 
1 1 1 -25 18  20 o 27.865  10.174  168.308    89.516   -111.1685  270.481  202.684    94.862   21.019  10.636  30.243  10.535  -9.223791      14.97058 
1 1 1 -25 18  21 o 18.774  8.0940  46.095     67.030   138.585    129.585  12.308     78.323   23.932  10.741  17.440  8.0278  6.492138       13.40967 
1 1 1 -25 18  22 o 13.476  6.5886  -74.1324   71.557   0.0000     0.0000   -74.1324   71.557   ?       ?       13.476  6.5886  0.000000       6.588554 
1 1 1 -25 18  23 o 27.636  10.304  180.782    92.638   0.0000     0.0000   180.782    92.638   ?       ?       27.636  10.304  0.000000       10.30392 
1 1 1 -25 18  24 o 21.839  9.1670  97.739     82.082   0.0000     0.0000   97.739     82.082   ?       ?       21.839  9.1670  0.000000       9.166981 
1 1 1 -25 18  25 o 23.893  8.9987  120.666    71.005   -43.1176   133.399  185.413    83.873   17.647  8.7009  28.409  9.9054  -10.76205      13.18420 
1 1 1 -25 18  26 o 16.222  7.2334  24.244     57.754   120.525    80.067   -80.1933   83.389   23.029  9.2915  13.991  6.8948  9.037897       11.57020 
1 1 1 -25 18  27 o 12.773  6.1434  -37.8361   55.888   35.956     75.319   -128.2413  83.368   17.584  8.0101  12.809  6.4071  4.775058       10.25731 
1 1 1 -25 18  28 o 22.908  8.7713  113.981    68.162   70.180     95.879   158.737    96.920   19.462  8.9302  24.106  10.028  -4.643898      13.42761 
1 1 1 -25 18  29 o 14.133  6.6713  -13.2920   59.850   -7.9269    84.422   -18.7134   84.862   15.993  7.6548  15.655  7.5393  0.3380556      10.74410 
1 1 1 -25 18  30 o 13.464  6.6515  -80.3331   79.291   -49.9804   85.702   -260.7458  208.943  14.734  7.2053  ?       ?       0.000000       7.205343 
1 1 1 -25 18  31 o 13.826  6.8399  -82.7456   84.896   -94.0404   95.155   -38.6738   187.963  14.268  7.0900  18.315  9.2226  -4.047235      11.63289 
1 1 1 -25 18  32 o 11.318  5.6064  -84.2483   57.741   -58.6728   86.796   -104.5526  77.336   14.586  7.1572  12.727  6.3351  1.859051       9.558159 
1 1 1 -25 18  33 o 31.575  9.1056  207.911    73.604   192.707    101.889  224.505    106.444  25.736  10.447  27.340  10.819  -1.604042      15.03956 
1 1 1 -25 18  34 o 13.261  6.4122  -40.9977   62.922   23.411     89.332   -104.4167  88.643   17.315  8.1665  13.611  6.7763  3.704491       10.61176 
1 1 1 -25 18  35 o 23.099  10.069  159.335    106.087  12.235     275.911  184.855    114.922  ?       ?       23.838  10.433  0.000000       10.43333 
1 1 1 -25 18  36 o 18.073  8.4151  50.694     89.828   -208.5607  271.118  82.663     95.206   ?       ?       19.456  8.9168  0.000000       8.916807 
1 1 1 -25 18  37 o 16.809  8.0469  21.948     93.396   -473.3523  252.306  100.593    100.538  ?       ?       19.779  9.1011  0.000000       9.101055 
1 1 1 -25 18  38 o 17.267  8.1940  46.526     92.570   195.715    281.860  28.488     98.006   ?       ?       16.771  8.0831  0.000000       8.083108 
1 1 1 -25 19  1  o 69.813  5.7888  679.876    97.176   748.904    139.613  615.007    135.342  68.272  8.6200  60.233  9.5814  8.038792       12.88824 
1 1 1 -25 19  2  o 49.064  7.2706  361.338    83.938   434.395    122.314  296.309    115.399  48.848  10.622  38.131  11.509  10.71756       15.66168 
1 1 1 -25 19  3  o 27.165  9.4125  131.231    75.677   217.237    112.260  59.588     102.458  31.975  11.431  22.054  9.7444  9.921185       15.02102 
1 1 1 -25 19  4  o 58.646  6.3881  493.751    89.431   432.064    125.776  556.829    127.185  47.983  11.034  57.534  9.4380  -9.551392      14.51943 
1 1 1 -25 19  5  f 67.217  5.8708  632.984    94.789   685.102    133.866  580.574    134.238  65.160  8.6831  57.942  9.9039  7.217434       13.17130 
1 1 1 -25 19  6  o 19.256  8.2235  38.748     67.994   81.873     90.524   -17.0789   102.995  22.954  9.6307  18.767  8.8260  4.187574       13.06327 
1 1 1 -25 19  7  o 32.179  8.8360  175.494    71.097   179.647    98.093   170.898    103.192  29.939  10.688  28.913  10.856  1.025358       15.23437 
1 1 1 -25 19  8  o 36.013  10.945  257.382    104.106  280.854    115.535  156.048    240.062  36.499  11.601  26.295  12.667  10.20393       17.17711 
1 1 1 -25 19  9  o 37.676  11.034  282.201    107.343  241.805    119.221  455.161    246.693  32.830  11.776  33.317  14.896  -0.4869995     18.98840 
1 1 1 -25 19  10 o 22.237  9.7603  69.171     101.204  69.171     101.204  0.0000     0.0000   22.237  9.7603  ?       ?       0.000000       9.760259 
1 1 1 -25 19  11 o 34.265  11.703  261.184    116.839  261.184    116.839  0.0000     0.0000   34.265  11.703  ?       ?       0.000000       11.70317 
1 1 1 -25 19  12 o 26.231  9.0866  123.409    70.526   109.477    93.535   141.767    107.366  24.354  9.9620  26.190  10.689  -1.836544      14.61128 
1 1 1 -25 19  13 o 17.787  7.7092  27.840     61.463   55.606     102.079  12.049     76.981   21.295  9.5472  17.936  8.1425  3.358919       12.54785 
1 1 1 -25 19  14 o 42.429  7.7311  285.630    76.659   334.828    121.942  253.481    98.573   38.745  11.860  35.440  10.623  3.304600       15.92226 
1 1 1 -25 19  15 o 25.287  8.9062  116.265    67.898   1.9534     111.584  183.475    85.560   19.284  9.1047  30.339  10.011  -11.05551      13.53188 
1 1 1 -25 19  16 o 30.446  9.1535  171.499    73.103   280.352    118.947  105.428    92.670   34.080  11.801  23.467  9.7871  10.61333       15.33136 
1 1 1 -25 19  17 o 34.445  10.023  235.312    88.830   42.755     221.797  272.100    96.945   22.390  11.073  36.598  10.417  -14.20830      15.20289 
1 1 1 -25 19  18 o 50.103  9.7320  466.284    114.048  715.925    249.188  400.137    128.270  37.042  15.779  41.159  12.064  -4.116680      19.86270 
1 1 1 -25 19  19 o 35.077  10.435  260.409    95.371   -153.9347  230.116  346.339    104.795  19.627  9.9205  41.226  10.460  -21.59848      14.41595 
1 1 1 -25 19  20 o 16.446  7.3723  17.202     60.846   14.527     105.785  18.524     74.382   18.704  8.8414  17.386  7.9356  1.317913       11.88043 
1 1 1 -25 19  21 o 23.299  8.9302  108.293    70.698   6.3079     135.943  146.100    82.771   19.259  9.3405  25.739  9.7109  -6.479218      13.47391 
1 1 1 -25 19  22 o 10.985  5.4939  -120.2334  61.205   0.0000     0.0000   -120.2334  61.205   ?       ?       10.985  5.4939  0.000000       5.493855 
1 1 1 -25 19  23 o 71.109  8.2612  894.264    139.881  0.0000     0.0000   894.264    139.881  ?       ?       71.109  8.2612  0.000000       8.261165 
1 1 1 -25 19  24 o 17.747  7.8117  42.208     65.237   -2.5524    130.518  57.114     75.321   18.264  8.9229  18.917  8.3570  -0.6538315     12.22530 
1 1 1 -25 19  25 o 24.522  8.6015  124.028    63.291   61.675     88.227   190.133    90.844   19.163  8.7062  27.231  10.194  -8.067965      13.40552 
1 1 1 -25 19  26 o 20.897  8.4676  89.869     66.806   112.342    89.609   61.750     100.238  21.646  9.3452  19.135  8.9029  2.510792       12.90711 
1 1 1 -25 19  27 f 21.026  8.2933  90.549     62.359   52.652     84.190   136.611    92.818   18.397  8.4145  22.782  9.6650  -4.384960      12.81472 
1 1 1 -25 19  28 o 43.130  7.9128  334.662    79.758   273.768    108.299  406.832    117.901  30.244  11.168  38.806  11.615  -8.561476      16.11289 
1 1 1 -25 19  29 o 21.793  9.3965  120.883    90.359   125.109    100.096  102.276    210.028  21.642  9.5936  20.043  10.047  1.599464       13.89151 
1 1 1 -25 19  30 o 14.841  7.2264  -39.0171   83.571   -85.1194   90.866   213.997    212.869  14.122  7.0020  21.538  10.686  -7.416399      12.77557 
1 1 1 -25 19  31 o 12.751  6.2614  -66.1069   66.804   73.029     97.264   -190.3538  91.912   19.337  8.9175  12.253  6.2005  7.084466       10.86132 
1 1 1 -25 19  32 o 14.752  6.9145  -3.1180    62.309   -68.3613   85.877   69.410     90.544   14.226  7.0078  19.193  8.7585  -4.967496      11.21697 
1 1 1 -25 19  33 o 29.013  9.3193  188.301    74.405   236.352    106.227  142.023    104.250  27.792  10.866  22.339  9.8520  5.452690       14.66736 
1 1 1 -25 19  34 o 17.904  8.4106  42.608     93.074   -185.2484  261.285  75.723     99.607   ?       ?       19.265  8.9333  0.000000       8.933259 
1 1 1 -25 19  35 o 22.002  9.7097  143.756    101.424  329.109    276.054  114.831    109.051  21.244  10.750  20.440  9.4318  0.8041248      14.30114 
1 1 1 -25 19  36 o 11.433  5.7670  -144.9506  75.309   80.934     235.738  -170.6231  79.473   18.827  9.5680  11.343  5.7427  7.484201       11.15908 
1 1 1 -25 19  37 o 16.925  8.0691  40.099     91.896   130.459    274.595  28.703     97.518   ?       ?       16.662  8.0384  0.000000       8.038403 
1 1 1 -25 20  1  o 22.911  9.0891  86.432     75.303   -1.2385    108.515  167.865    104.583  19.490  9.1318  28.329  10.861  -8.838690      14.18955 
1 1 1 -25 20  2  f 14.093  6.7912  -62.8766   69.116   -121.8490  108.123  -22.1304   89.875   16.003  7.8794  17.534  8.2459  -1.531462      11.40522 
1 1 1 -25 20  3  o 15.467  7.2791  -31.1199   70.265   -42.9332   109.810  -22.9294   91.434   18.195  8.7143  17.617  8.2947  0.5775242      12.03081 
1 1 1 -25 20  4  o 25.837  9.4130  120.824    76.560   -5.1807    113.210  227.018    103.930  19.588  9.2249  33.073  11.039  -13.48482      14.38602 
1 1 1 -25 20  5  o 46.829  7.6883  340.782    84.327   306.688    120.230  373.794    118.307  37.596  11.821  43.690  11.129  -6.094032      16.23582 
1 1 1 -25 20  6  o 52.183  7.1101  410.232    87.683   325.165    124.498  493.958    123.513  38.378  12.023  52.654  10.034  -14.27552      15.66000 
1 1 1 -25 20  7  o 29.288  10.969  183.868    105.220  168.164    117.215  249.032    238.772  27.579  11.202  27.638  13.128  -0.5821991E-01 17.25788 
1 1 1 -25 20  8  o 24.175  10.002  107.099    95.692   99.780     104.865  143.531    233.955  23.728  10.175  25.410  12.306  -1.682053      15.96780 
1 1 1 -25 20  9  o 33.396  11.729  256.034    117.703  256.034    117.703  0.0000     0.0000   33.396  11.729  ?       ?       0.000000       11.72914 
1 1 1 -25 20  10 o 39.016  11.954  339.474    123.841  339.474    123.841  0.0000     0.0000   39.016  11.954  ?       ?       0.000000       11.95361 
1 1 1 -25 20  11 o 21.817  8.7352  77.680     70.179   -32.4948   92.106   230.174    108.361  17.059  8.1180  32.063  11.254  -15.00406      13.87674 
1 1 1 -25 20  12 o 24.426  9.2554  110.660    75.394   43.382     104.853  182.683    108.488  20.588  9.4065  28.279  11.002  -7.691616      14.47484 
1 1 1 -25 20  13 o 21.554  8.4626  77.061     64.652   136.089    103.467  39.251     82.808   25.240  10.419  19.431  8.6631  5.809191       13.54973 
1 1 1 -25 20  14 o 32.378  9.1521  192.968    75.093   211.235    114.426  179.150    99.523   29.320  11.329  28.233  10.649  1.086485       15.54819 
1 1 1 -25 20  15 o 42.455  7.5282  288.930    74.711   350.792    116.434  245.633    97.408   39.781  11.447  33.879  10.638  5.902378       15.62689 
1 1 1 -25 20  16 o 27.567  10.021  163.163    86.699   348.625    220.134  129.114    94.322   27.936  13.063  24.487  10.009  3.449121       16.45626 
1 1 1 -25 20  17 o 21.467  9.1334  82.991     83.304   472.705    220.070  17.810     90.001   30.949  13.935  18.270  8.4788  12.67876       16.31154 
1 1 1 -25 20  18 o 20.997  8.8093  78.547     75.741   -146.4294  214.831  110.481    80.938   19.104  9.6488  23.222  9.3515  -4.118427      13.43693 
1 1 1 -25 20  19 o 30.160  9.0962  178.466    72.107   114.889    119.319  215.042    90.502   22.475  10.177  30.884  10.301  -8.409220      14.48016 
1 1 1 -25 20  20 o 17.692  7.7931  37.088     65.034   81.436     113.719  15.535     79.277   20.896  9.6383  17.239  7.9852  3.656538       12.51643 
1 1 1 -25 20  21 o 17.167  7.9358  18.647     77.727   0.0000     0.0000   18.647     77.727   ?       ?       17.167  7.9358  0.000000       7.935836 
1 1 1 -25 20  22 o 74.794  8.7387  1037.23    155.600  0.0000     0.0000   1037.23    155.600  ?       ?       74.794  8.7387  0.000000       8.738672 
1 1 1 -25 20  23 o 18.419  8.1571  52.329     72.203   -136.5412  284.741  65.308     74.642   ?       ?       19.234  8.4135  0.000000       8.413454 
1 1 1 -25 20  24 o 14.608  6.8079  -2.5959    59.008   -38.2662   91.969   22.362     76.929   15.507  7.5572  16.875  7.8341  -1.367972      10.88506 
1 1 1 -25 20  25 o 22.113  9.1832  117.122    81.088   94.603     87.369   257.071    217.805  20.500  9.0312  22.267  11.005  -1.766390      14.23601 
1 1 1 -25 20  26 o 13.632  6.5264  -26.0866   61.464   -90.0737   83.639   49.039     90.627   13.488  6.6931  18.209  8.4699  -4.721075      10.79524 
1 1 1 -25 20  27 o 16.560  7.4084  33.424     61.115   44.926     82.537   19.463     90.929   17.809  8.2135  17.028  8.0924  0.7812767      11.53038 
1 1 1 -25 20  28 o 13.564  6.7008  -75.3149   80.454   -92.9447   87.030   28.307     210.993  13.619  6.7699  19.001  9.5927  -5.381439      11.74106 
1 1 1 -25 20  29 o 13.719  6.7182  -55.3351   75.285   -75.0212   80.515   81.594     212.346  13.578  6.7067  19.604  9.8627  -6.026652      11.92697 
1 1 1 -25 20  30 o 17.060  7.6686  38.637     66.327   36.298     95.687   40.801     92.021   17.765  8.4008  17.850  8.3780  -0.8526993E-01 11.86446 
1 1 1 -25 20  31 o 20.506  8.4332  89.143     67.481   -5.4966    93.589   191.623    97.389   16.335  7.8793  25.673  10.286  -9.338099      12.95731 
1 1 1 -25 20  32 o 23.049  8.9236  123.602    71.107   162.763    101.528  85.900     99.619   23.381  10.019  19.691  9.0602  3.690107       13.50781 
1 1 1 -25 20  33 o 22.011  9.7279  142.158    102.169  -48.2602   248.367  180.943    112.092  ?       ?       23.354  10.261  0.000000       10.26065 
1 1 1 -25 20  34 o 19.699  9.0484  96.533     98.781   -168.0616  251.876  144.626    107.383  ?       ?       21.541  9.7131  0.000000       9.713147 
1 1 1 -25 20  35 o 17.771  8.3939  55.984     95.032   -327.7397  249.232  121.264    102.798  ?       ?       20.246  9.2740  0.000000       9.273953 
1 1 1 -25 20  36 o 13.863  6.9260  -80.2187   96.096   431.468    240.807  -177.1382  104.803  21.283  10.681  12.770  6.4788  8.513227       12.49201 
1 1 1 -25 21  1  o 20.837  8.6125  63.770     70.843   -34.2994   106.133  142.574    95.139   18.017  8.6125  26.496  10.304  -8.479010      13.42949 
1 1 1 -25 21  2  o 19.451  8.4126  42.760     72.880   16.598     107.808  64.778     98.902   19.858  9.2373  21.644  9.5681  -1.785713      13.29943 
1 1 1 -25 21  3  o 19.824  8.6002  46.027     76.635   179.781    116.854  -54.9152   101.514  27.998  11.250  17.080  8.2306  10.91825       13.93936 
1 1 1 -25 21  4  o 45.125  8.1775  329.857    86.240   323.809    125.044  335.344    119.098  37.540  12.084  39.503  11.638  -1.962852      16.77674 
1 1 1 -25 21  5  o 158.658 8.7113  4197.73    334.074  3499.40    416.739  5453.47    558.830  118.626 14.800  135.948 17.336  -17.32189      22.79432 
1 1 1 -25 21  6  o 83.783  8.8611  1183.95    177.406  505.346    208.617  2956.61    337.176  36.634  14.919  120.931 11.635  -84.29681      18.91937 
1 1 1 -25 21  7  o 22.987  11.523  -9.6166    276.387  0.0000     0.0000   -9.6166    276.387  ?       ?       22.987  11.523  0.000000       11.52291 
1 1 1 -25 21  8  o 34.771  11.860  285.618    119.996  285.618    119.996  0.0000     0.0000   34.771  11.860  ?       ?       0.000000       11.86031 
1 1 1 -25 21  9  o 23.740  9.9139  108.327    95.263   108.327    95.263   0.0000     0.0000   23.740  9.9139  ?       ?       0.000000       9.913938 
1 1 1 -25 21  10 o 17.167  8.2245  -35.9846   97.962   -35.9846   97.962   0.0000     0.0000   17.167  8.2245  ?       ?       0.000000       8.224525 
1 1 1 -25 21  11 o 30.375  9.5032  177.988    77.809   139.691    109.329  217.294    110.762  25.066  10.554  30.057  11.255  -4.991011      15.42903 
1 1 1 -25 21  12 o 37.295  8.4591  239.192    74.788   277.305    113.812  210.227    99.218   34.067  11.551  30.524  10.764  3.543133       15.78919 
1 1 1 -25 21  13 o 35.866  8.6184  226.398    74.069   156.996    114.257  276.705    97.277   25.490  10.764  36.592  10.442  -11.10229      14.99638 
1 1 1 -25 21  14 o 40.529  9.9110  319.283    96.654   365.340    227.565  309.145    106.763  27.748  13.071  37.429  11.016  -9.680498      17.09438 
1 1 1 -25 21  15 o 30.501  10.446  209.643    93.084   474.211    209.887  144.865    103.857  31.592  13.954  24.753  10.346  6.838991       17.37044 
1 1 1 -25 21  16 o 26.054  9.9268  152.536    87.034   -37.9570   217.990  188.661    94.928   20.302  10.184  28.215  10.448  -7.913298      14.59064 
1 1 1 -25 21  17 o 33.723  10.180  245.581    90.276   -40.7622   227.469  299.114    98.354   20.176  10.158  37.195  10.460  -17.01864      14.58065 
1 1 1 -25 21  18 o 12.608  6.1179  -54.5364   58.517   -69.7420   106.172  -47.9021   70.130   15.989  7.8600  14.023  6.7778  1.966527       10.37870 
1 1 1 -25 21  19 o 15.317  7.1172  -1.3333    63.734   53.587     112.807  -27.0844   77.245   19.610  9.2269  15.251  7.3057  4.358287       11.76901 
1 1 1 -25 21  20 o 24.351  10.172  157.502    100.332  0.0000     0.0000   157.502    100.332  ?       ?       24.351  10.172  0.000000       10.17216 
1 1 1 -25 21  21 o 24.338  9.6992  146.552    86.110   0.0000     0.0000   146.552    86.110   ?       ?       24.338  9.6992  0.000000       9.699206 
1 1 1 -25 21  22 f 24.437  9.5708  147.448    82.521   469.567    239.270  103.960    87.915   25.393  12.333  21.178  9.1995  4.214794       15.38586 
1 1 1 -25 21  23 o 19.395  9.2163  71.789     117.888  36.983     135.095  182.908    241.385  18.647  9.1034  20.940  10.532  -2.292761      13.92118 
1 1 1 -25 21  24 o 19.368  8.6443  76.171     82.693   73.438     89.879   91.245     211.057  19.217  8.7526  19.782  9.9367  -0.5643311     13.24184 
1 1 1 -25 21  25 o 22.834  8.5288  114.334    63.524   80.977     86.447   153.490    93.660   19.479  8.7554  23.296  9.7862  -3.817310      13.13115 
1 1 1 -25 21  26 o 11.306  5.5978  -79.1143   57.278   -123.5266  80.513   -33.6021   81.504   12.428  6.2282  14.732  7.1650  -2.304641      9.493549 
1 1 1 -25 21  27 o 25.070  9.9978  178.941    91.551   223.015    99.658   -59.3732   231.737  27.194  10.554  ?       ?       0.000000       10.55425 
1 1 1 -25 21  28 o 21.715  9.2611  121.878    86.023   170.275    94.268   -119.0401  210.325  24.211  9.9636  ?       ?       0.000000       9.963552 
1 1 1 -25 21  29 o 10.279  5.1598  -114.7313  56.392   -190.1428  79.997   -40.2455   79.505   11.210  5.6845  14.419  7.0268  -3.208807      9.038222 
1 1 1 -25 21  30 o 10.482  5.2520  -109.8896  57.121   -81.2817   72.890   -155.4183  91.953   12.776  6.3236  12.725  6.4129  0.5158520E-01  9.006330 
1 1 1 -25 21  31 o 13.888  6.6299  -19.1384   62.453   56.726     86.135   -103.2244  90.683   18.234  8.4028  13.578  6.7751  4.656236       10.79395 
1 1 1 -25 21  32 o 16.268  7.9154  -6.3318    99.761   84.000     234.470  -26.2993   110.237  19.206  9.7385  16.150  7.9524  3.056404       12.57298 
1 1 1 -25 21  33 o 17.027  8.1272  31.092     93.785   -154.6919  242.806  63.671     101.676  ?       ?       18.244  8.6372  0.000000       8.637166 
1 1 1 -25 21  34 o 16.644  8.0019  27.358     94.579   -38.2950   245.027  38.853     102.525  ?       ?       17.142  8.2633  0.000000       8.263292 
1 1 1 -25 21  35 o 11.222  5.7078  -193.4768  85.202   -362.6282  223.383  -164.6793  92.170   ?       ?       12.116  6.1397  0.000000       6.139659 
1 1 1 -25 22  1  o 17.778  7.9713  20.326     71.181   -33.8276   105.566  65.474     96.389   17.759  8.5160  21.282  9.4249  -3.522249      12.70240 
1 1 1 -25 22  2  o 15.739  7.4405  -28.3649   74.957   -111.8996  129.053  14.163     92.081   17.204  8.4967  18.710  8.6451  -1.505518      12.12150 
1 1 1 -25 22  3  o 26.227  11.103  163.309    122.096  145.801    135.472  239.061    281.796  25.063  11.133  25.673  12.656  -0.6100426     16.85584 
1 1 1 -25 22  4  o 26.487  11.221  170.985    124.816  86.539     138.320  541.230    289.627  22.750  10.541  30.432  14.457  -7.682314      17.89178 
1 1 1 -25 22  5  f 26.248  11.139  166.799    123.347  163.815    136.601  179.978    287.047  25.703  11.309  24.715  12.287  0.9876976      16.69903 
1 1 1 -25 22  6  o 20.708  10.452  -142.6982  249.468  0.0000     0.0000   -142.6982  249.468  ?       ?       20.708  10.452  0.000000       10.45159 
1 1 1 -25 22  7  o 15.530  7.3331  -25.6022   72.413   0.3802     104.221  -49.8525   100.687  18.637  8.7992  16.834  8.1330  1.802223       11.98211 
1 1 1 -25 22  8  o 27.994  11.266  198.001    117.375  198.001    117.375  0.0000     0.0000   27.994  11.266  ?       ?       0.000000       11.26556 
1 1 1 -25 22  9  o 51.037  10.661  516.543    127.764  516.543    127.764  0.0000     0.0000   51.037  10.661  ?       ?       0.000000       10.66094 
1 1 1 -25 22  10 o 50.219  7.3927  402.511    87.386   481.622    122.938  321.721    124.235  49.074  10.632  35.448  12.068  13.62569       16.08344 
1 1 1 -25 22  11 o 48.081  6.9051  359.919    78.246   377.127    119.842  347.133    103.303  40.566  11.595  41.634  10.286  -1.068386      15.49974 
1 1 1 -25 22  12 o 21.501  8.4664  82.852     64.888   127.812    100.062  50.224     85.241   23.878  10.077  19.532  8.7428  4.345549       13.34113 
1 1 1 -25 22  13 o 34.008  10.298  248.512    92.281   32.922     218.483  295.323    101.807  21.259  10.593  36.540  10.759  -15.28164      15.09814 
1 1 1 -25 22  14 o 17.885  8.1690  26.741     78.991   130.178    205.963  8.9023     85.532   22.460  11.022  17.411  8.1417  5.048641       13.70287 
1 1 1 -25 22  15 o 21.484  8.9880  90.660     78.498   118.613    214.207  86.324     84.368   21.993  10.877  21.141  9.0975  0.8522205      14.18034 
1 1 1 -25 22  16 o 19.567  8.3234  64.815     69.159   119.988    111.598  30.414     88.121   22.362  10.007  18.186  8.4221  4.175333       13.07933 
1 1 1 -25 22  17 o 41.427  8.4426  311.084    81.984   403.235    129.242  249.035    106.052  37.778  12.296  30.349  11.075  7.429052       16.54840 
1 1 1 -25 22  18 o 21.761  8.6646  97.506     68.666   149.642    115.509  69.012     85.393   23.088  10.267  19.641  8.7740  3.447325       13.50514 
1 1 1 -25 22  19 o 13.693  6.6987  -61.2690   74.299   0.0000     0.0000   -61.2690   74.299   ?       ?       13.693  6.6987  0.000000       6.698704 
1 1 1 -25 22  20 o 16.281  7.6882  6.2169     79.626   0.0000     0.0000   6.2169     79.626   ?       ?       16.281  7.6882  0.000000       7.688169 
1 1 1 -25 22  21 o 17.867  8.3690  39.487     91.023   0.0000     0.0000   39.487     91.023   ?       ?       17.867  8.3690  0.000000       8.368972 
1 1 1 -25 22  22 f 16.315  7.5372  22.671     69.946   -55.3446   122.859  60.084     85.080   16.230  8.0636  18.503  8.4614  -2.272457      11.68834 
1 1 1 -25 22  23 o 21.212  9.3304  118.771    92.931   136.151    98.332   -26.5183   284.302  21.900  9.6162  ?       ?       0.000000       9.616189 
1 1 1 -25 22  24 o 27.164  8.6546  158.269    64.269   14.775     90.742   302.700    91.038   16.649  7.9600  35.901  10.052  -19.25251      12.82205 
1 1 1 -25 22  25 o 18.047  7.8259  58.888     63.400   12.791     97.358   92.829     83.541   16.761  8.0728  19.919  8.8002  -3.158123      11.94207 
1 1 1 -25 22  26 o 22.173  9.4518  136.135    89.521   111.319    97.348   272.114    227.872  20.495  9.2441  21.291  10.641  -0.7965088     14.09591 
1 1 1 -25 22  27 f 17.941  8.2263  54.156     81.155   95.383     88.544   -162.4025  202.935  19.945  8.9202  ?       ?       0.000000       8.920222 
1 1 1 -25 22  28 o 12.480  6.0879  -50.1376   60.089   -87.9102   84.652   -11.7757   85.309   13.458  6.6875  15.551  7.5063  -2.092888      10.05323 
1 1 1 -25 22  29 o 18.275  7.9571  61.706     66.078   65.079     91.122   57.964     95.964   18.558  8.5836  18.308  8.5811  0.2493744      12.13732 
1 1 1 -25 22  30 o 22.562  8.6889  118.320    67.139   142.762    89.962   87.592     100.868  22.513  9.5311  19.374  8.9859  3.138735       13.09914 
1 1 1 -25 22  31 o 16.007  7.7635  -3.2462    93.958   247.229    254.447  -42.7924   101.104  20.318  10.286  15.283  7.5427  5.035376       12.75481 
1 1 1 -25 22  32 o 13.206  6.6220  -111.5827  91.674   -178.0460  226.354  -98.5419   100.265  ?       ?       13.947  6.9838  0.000000       6.983844 
1 1 1 -25 22  33 o 16.333  7.8790  23.129     93.625   -15.8259   242.716  29.938     101.479  ?       ?       16.695  8.0904  0.000000       8.090445 
1 1 1 -25 23  1  o 19.654  9.1317  31.353     104.875  -7.0968    113.490  256.151    274.415  18.689  8.9260  25.163  12.420  -6.473787      15.29503 
1 1 1 -25 23  2  o 38.116  12.756  387.783    138.772  420.999    156.349  264.470    301.249  37.242  13.469  24.976  12.444  12.26663       18.33773 
1 1 1 -25 23  3  o 20.731  9.6187  52.429     115.734  109.937    127.042  -228.1607  280.619  23.061  10.466  ?       ?       0.000000       10.46563 
1 1 1 -25 23  4  f 19.251  9.7740  -241.4122  241.584  0.0000     0.0000   -241.4122  241.584  ?       ?       19.251  9.7740  0.000000       9.774004 
1 1 1 -25 23  5  o 19.380  8.9791  31.305     100.328  0.0000     0.0000   31.305     100.328  ?       ?       19.380  8.9791  0.000000       8.979081 
1 1 1 -25 23  6  o 34.001  9.3208  219.490    79.190   242.222    115.191  199.119    109.046  30.635  11.477  28.222  11.016  2.412977       15.90799 
1 1 1 -25 23  7  o 26.503  11.017  182.837    116.873  182.837    116.873  0.0000     0.0000   26.503  11.017  ?       ?       0.000000       11.01702 
1 1 1 -25 23  8  o 22.815  10.151  112.057    113.079  112.057    113.079  0.0000     0.0000   22.815  10.151  ?       ?       0.000000       10.15111 
1 1 1 -25 23  9  o 29.302  11.448  235.020    117.842  235.020    117.842  0.0000     0.0000   29.302  11.448  ?       ?       0.000000       11.44782 
1 1 1 -25 23  10 o 24.920  9.2576  128.320    74.647   118.726    108.012  137.091    103.280  22.930  10.073  24.044  10.198  -1.114359      14.33381 
1 1 1 -25 23  11 o 20.371  8.7603  72.018     78.125   47.780     200.929  76.335     84.798   21.057  10.436  20.674  9.0075  0.3831348      13.78557 
1 1 1 -25 23  12 o 17.195  7.8777  19.765     74.212   -58.3582   199.418  32.323     79.955   19.390  9.7292  18.086  8.2443  1.304556       12.75245 
1 1 1 -25 23  13 o 18.970  8.3004  54.601     72.691   -77.2639   205.160  73.531     77.734   19.104  9.6219  20.218  8.7164  -1.113560      12.98295 
1 1 1 -25 23  14 o 36.128  10.676  301.324    100.095  307.699    231.682  299.862    110.988  24.252  11.857  33.651  11.407  -9.398130      16.45314 
1 1 1 -25 23  15 o 31.594  8.8263  195.835    70.271   71.883     105.704  293.998    94.067   19.995  9.2473  36.505  10.217  -16.51008      13.78025 
1 1 1 -25 23  16 o 19.230  8.1565  65.516     66.080   54.122     110.107  71.929     82.611   19.215  9.0639  19.689  8.7223  -0.4739857     12.57903 
1 1 1 -25 23  17 o 40.431  8.6549  309.865    82.344   426.388    129.564  230.907    106.654  37.996  12.307  27.959  10.900  10.03744       16.44017 
1 1 1 -25 23  18 o 17.575  7.7785  45.026     65.559   -85.9467   121.920  98.300     77.757   15.831  7.8924  21.000  8.8741  -5.168424      11.87602 
1 1 1 -25 23  19 o 26.601  10.487  208.835    99.680   0.0000     0.0000   208.835    99.680   ?       ?       26.601  10.487  0.000000       10.48748 
1 1 1 -25 23  20 o 15.606  7.4299  -1.0620    77.323   0.0000     0.0000   -1.0620    77.323   ?       ?       15.606  7.4299  0.000000       7.429896 
1 1 1 -25 23  21 o 23.881  9.0617  137.880    72.338   31.167     124.848  191.810    88.753   17.915  8.7472  26.267  10.020  -8.351402      13.30126 
1 1 1 -25 23  22 o 23.906  8.8281  133.661    67.681   91.336     99.474   170.143    92.352   19.517  9.0068  24.050  9.8753  -4.532316      13.36573 
1 1 1 -25 23  23 o 21.582  8.5254  107.166    65.991   120.240    97.760   96.222     89.445   20.756  9.3216  19.820  8.9077  0.9360523      12.89338 
1 1 1 -25 23  24 o 21.888  9.8529  157.542    109.957  115.192    118.394  423.319    296.593  19.987  9.4189  21.292  10.812  -1.305206      14.33943 
1 1 1 -25 23  25 o 18.706  8.5988  73.560     89.437   111.096    97.864   -116.6640  220.309  20.268  9.1932  ?       ?       0.000000       9.193212 
1 1 1 -25 23  26 o 19.175  8.6463  82.402     85.095   70.774     91.961   151.656    224.425  18.603  8.6110  19.701  9.9400  -1.098730      13.15114 
1 1 1 -25 23  27 o 17.204  7.5663  47.882     61.094   81.054     86.395   14.701     86.404   19.148  8.6659  16.381  7.8141  2.766449       11.66866 
1 1 1 -25 23  28 o 16.153  7.2653  32.258     59.644   -119.3585  86.376   170.438    82.460   12.843  6.4385  25.125  9.6410  -12.28167      11.59326 
1 1 1 -25 23  29 o 19.825  8.2807  87.068     66.477   4.2303     92.239   176.597    95.892   16.151  7.7981  23.839  9.9502  -7.688185      12.64187 
1 1 1 -25 23  30 o 21.521  9.6293  149.537    103.293  29.738     261.162  171.752    112.463  ?       ?       22.008  9.9303  0.000000       9.930296 
1 1 1 -25 23  31 o 18.133  8.5054  72.007     94.573   -462.5307  255.860  156.595    101.781  ?       ?       21.566  9.6104  0.000000       9.610450 
1 1 1 -25 23  32 f 15.489  7.5979  -5.2083    97.569   -344.1222  235.180  65.252     107.233  ?       ?       17.556  8.4598  0.000000       8.459758 
1 1 1 -25 24  1  o 18.679  8.8732  9.5740     109.086  55.128     118.547  -242.1570  278.672  20.482  9.5802  ?       ?       0.000000       9.580197 
1 1 1 -25 24  2  o 18.811  8.8498  20.010     103.705  49.847     111.485  -171.6498  282.560  20.129  9.3735  ?       ?       0.000000       9.373452 
1 1 1 -25 24  3  o 42.937  9.3374  344.475    94.508   330.212    158.567  352.333    117.697  30.423  12.754  38.302  11.637  -7.878973      17.26529 
1 1 1 -25 24  4  o 38.996  8.9423  278.634    82.809   319.832    123.847  245.322    111.365  34.355  12.033  30.671  11.325  3.683929       16.52423 
1 1 1 -25 24  5  o 25.476  9.6336  140.769    81.576   159.566    119.426  124.328    111.692  24.633  10.711  23.132  10.200  1.501648       14.79087 
1 1 1 -25 24  6  o 23.576  10.327  135.863    112.807  135.863    112.807  0.0000     0.0000   23.576  10.327  ?       ?       0.000000       10.32724 
1 1 1 -25 24  7  o 15.377  7.6052  -97.5922   104.716  -97.5922   104.716  0.0000     0.0000   15.377  7.6052  ?       ?       0.000000       7.605214 
1 1 1 -25 24  8  o 18.848  8.9302  25.249     109.125  25.249     109.125  0.0000     0.0000   18.848  8.9302  ?       ?       0.000000       8.930246 
1 1 1 -25 24  9  o 17.419  7.9366  25.624     73.988   14.079     110.427  35.029     99.668   18.439  8.8063  18.813  8.7944  -0.3731785     12.44560 
1 1 1 -25 24  10 o 24.573  9.4162  134.145    78.590   121.484    206.275  136.294    85.001   21.707  10.725  24.282  9.6491  -2.574572      14.42644 
1 1 1 -25 24  11 o 15.395  7.2651  -10.6895   70.884   209.860    200.078  -42.3453   75.801   23.089  11.229  14.582  7.0479  8.507106       13.25731 
1 1 1 -25 24  12 o 15.129  7.1630  -13.7186   69.947   -181.6810  198.945  9.9725     74.717   17.529  8.8966  16.465  7.6692  1.063869       11.74590 
1 1 1 -25 24  13 o 17.639  7.5698  45.399     58.120   -102.4750  103.667  113.184    70.188   14.815  7.3680  22.926  8.8686  -8.111290      11.52992 
1 1 1 -25 24  14 o 20.738  8.3394  85.945     64.265   3.9369     106.451  132.974    80.613   17.421  8.4030  23.614  9.3927  -6.193325      12.60295 
1 1 1 -25 24  15 o 26.435  8.9333  151.028    68.070   131.207    111.954  162.653    85.740   21.793  9.8637  25.232  9.7905  -3.439417      13.89772 
1 1 1 -25 24  16 o 19.913  8.4028  81.073     69.555   194.143    113.118  12.333     88.200   24.464  10.531  16.760  7.9664  7.704233       13.20462 
1 1 1 -25 24  17 o 24.733  8.9260  139.362    68.609   78.548     104.175  185.946    91.176   19.345  9.0258  25.833  10.076  -6.488533      13.52737 
1 1 1 -25 24  18 o 27.627  10.642  232.551    100.724  0.0000     0.0000   232.551    100.724  ?       ?       27.627  10.642  0.000000       10.64168 
1 1 1 -25 24  19 o 17.837  8.2885  51.367     86.449   0.0000     0.0000   51.367     86.449   ?       ?       17.837  8.2885  0.000000       8.288516 
1 1 1 -25 24  20 o 16.548  7.6775  30.892     73.729   -80.0751   294.981  38.286     76.146   ?       ?       16.961  7.8456  0.000000       7.845647 
1 1 1 -25 24  21 o 23.298  8.9201  133.522    70.489   178.493    111.866  103.907    90.779   22.577  10.067  20.013  8.9855  2.564285       13.49384 
1 1 1 -25 24  22 o 15.174  7.0650  13.215     63.303   37.022     91.391   -8.7420    87.767   17.138  8.1355  15.517  7.5206  1.621750       11.07903 
1 1 1 -25 24  23 o 16.124  7.8920  -7.3695    103.510  22.996     109.745  -252.0369  311.516  17.062  8.3019  ?       ?       0.000000       8.301857 
1 1 1 -25 24  24 o 18.165  8.7212  61.845     111.467  8.0817     118.734  461.158    323.587  16.898  8.3079  ?       ?       0.000000       8.307900 
1 1 1 -25 24  25 o 15.091  7.3769  -26.5932   89.557   -85.5333   96.617   333.041    238.660  14.079  7.0199  21.261  10.665  -7.182074      12.76761 
1 1 1 -25 24  26 o 22.175  8.6112  116.047    66.371   65.701     90.716   174.036    97.360   18.273  8.4912  23.472  9.9249  -5.198183      13.06152 
1 1 1 -25 24  27 o 18.670  7.8041  70.179     59.111   23.250     83.073   118.310    84.129   16.422  7.7842  21.010  9.0628  -4.587423      11.94684 
1 1 1 -25 24  28 o 27.383  8.8980  172.495    67.692   203.591    94.789   140.132    96.700   25.407  10.159  21.381  9.4561  4.025967       13.87912 
1 1 1 -25 24  29 o 16.959  8.0573  40.102     90.014   469.773    256.382  -20.3093   96.134   21.695  10.905  15.332  7.5253  6.362847       13.24920 
1 1 1 -25 24  30 o 16.253  7.7287  30.536     83.184   0.0002     237.296  34.815     88.820   ?       ?       16.524  7.8933  0.000000       7.893256 
1 1 1 -25 24  31 o 15.122  7.3498  2.1758     85.406   318.436    258.164  -36.6901   90.502   ?       ?       14.295  7.0701  0.000000       7.070147 
1 1 1 -25 25  1  o 38.553  8.6497  271.185    78.923   336.081    133.577  236.380    97.823   32.936  12.355  31.253  10.708  1.682606       16.34945 
1 1 1 -25 25  2  o 41.355  8.7545  313.121    85.109   305.232    119.370  321.278    121.379  33.097  11.793  33.947  11.912  -0.8498459     16.76159 
1 1 1 -25 25  3  o 17.560  8.1114  21.707     80.976   83.340     128.497  -18.8914   104.290  20.961  9.8580  17.205  8.3033  3.755896       12.88896 
1 1 1 -25 25  4  o 17.440  7.8976  28.636     71.871   -64.4293   110.931  95.963     94.353   16.329  8.0285  21.454  9.4201  -5.125231      12.37723 
1 1 1 -25 25  5  f 19.990  8.6114  70.966     75.755   51.769     116.608  84.985     99.647   19.683  9.2976  20.810  9.3725  -1.126789      13.20187 
1 1 1 -25 25  6  o 19.618  9.2625  52.721     115.492  52.721     115.492  0.0000     0.0000   19.618  9.2625  ?       ?       0.000000       9.262499 
1 1 1 -25 25  7  o 23.733  10.429  158.222    115.848  158.222    115.848  0.0000     0.0000   23.733  10.429  ?       ?       0.000000       10.42896 
1 1 1 -25 25  8  o 19.969  9.0803  72.914     96.237   137.616    197.732  52.829     110.166  21.589  10.635  19.342  9.1063  2.247042       14.00090 
1 1 1 -25 25  9  o 18.992  8.0504  61.745     64.309   -114.9951  197.711  82.656     68.008   18.076  9.1416  20.547  8.4600  -2.471373      12.45553 
1 1 1 -25 25  10 o 19.727  8.4175  73.357     71.128   201.995    204.429  55.640     75.868   22.225  10.922  18.657  8.3069  3.568172       13.72167 
1 1 1 -25 25  11 o 9.1680  4.6091  -108.7622  45.941   -91.0940   100.109  -113.4757  51.707   14.726  7.3099  9.8311  4.9357  4.894966       8.820217 
1 1 1 -25 25  12 o 15.252  7.0184  9.5240     59.793   -22.4894   103.300  25.654     73.325   16.428  8.0069  16.811  7.7491  -0.3825378     11.14265 
1 1 1 -25 25  13 o 15.485  7.1760  10.081     64.133   98.739     108.570  -37.4346   79.482   20.303  9.3835  14.629  7.1059  5.673980       11.77045 
1 1 1 -25 25  14 o 14.947  6.9532  4.9057     61.091   -121.4392  106.782  66.380     74.484   14.289  7.1625  18.778  8.3022  -4.489579      10.96483 
1 1 1 -25 25  15 o 15.976  7.3109  23.554     63.665   17.846     100.119  27.428     82.492   17.090  8.2202  16.894  7.9303  0.1958561      11.42196 
1 1 1 -25 25  16 o 15.185  7.0602  10.828     62.867   -27.6481   98.205   37.544     81.832   15.632  7.6587  17.172  8.0077  -1.540096      11.08058 
1 1 1 -25 25  17 o 14.310  6.9753  -35.0638   78.474   0.0000     0.0000   -35.0638   78.474   ?       ?       14.310  6.9753  0.000000       6.975255 
1 1 1 -25 25  18 o 17.698  7.6325  57.355     59.641   0.0000     0.0000   57.355     59.641   ?       ?       17.698  7.6325  0.000000       7.632473 
1 1 1 -25 25  19 o 15.892  7.4849  19.033     74.560   0.0000     0.0000   19.033     74.560   ?       ?       15.892  7.4849  0.000000       7.484870 
1 1 1 -25 25  20 o 15.312  7.0521  20.391     60.555   -49.7093   119.539  44.589     70.233   15.652  7.8051  16.912  7.7160  -1.259489      10.97524 
1 1 1 -25 25  21 o 14.966  6.9411  14.590     60.184   -37.2300   91.980   53.386     79.586   14.801  7.2835  17.443  8.0517  -2.642069      10.85727 
1 1 1 -25 25  22 o 15.681  7.6531  -8.5134    95.314   -14.1001   101.131  35.896     285.132  15.743  7.7253  ?       ?       0.000000       7.725297 
1 1 1 -25 25  23 o 17.931  8.5196  61.773     100.664  43.744     107.314  193.865    290.472  17.433  8.4157  ?       ?       0.000000       8.415730 
1 1 1 -25 25  24 o 9.9572  5.0277  -132.1274  58.083   -68.8612   91.442   -174.9172  75.202   14.059  6.9799  10.859  5.5069  3.199891       8.890728 
1 1 1 -25 25  25 o 17.173  7.7886  49.303     70.219   64.694     104.145  36.475     95.081   18.097  8.6175  17.071  8.1579  1.025888       11.86650 
1 1 1 -25 25  26 o 18.150  7.8296  66.279     62.799   76.466     91.403   57.170     86.428   18.472  8.5625  17.664  8.2346  0.8078079      11.87960 
1 1 1 -25 25  27 o 21.772  9.5694  155.039    97.581   463.319    260.014  104.501    105.277  21.447  10.806  19.233  9.0061  2.213711       14.06670 
1 1 1 -25 25  28 o 16.698  7.9939  37.480     92.178   214.349    252.258  10.224     99.027   ?       ?       16.038  7.8217  0.000000       7.821672 
1 1 1 -25 25  29 o 13.987  6.8758  -33.5441   81.237   214.394    247.161  -63.5727   86.015   ?       ?       13.510  6.7181  0.000000       6.718084 
1 1 1 -25 25  30 o 19.480  8.8761  126.255    92.554   3.1511     263.109  143.640    98.873   ?       ?       19.918  9.1135  0.000000       9.113476 
1 1 1 -25 26  1  o 14.632  6.8465  -8.1711    60.649   -42.1291   116.363  4.4942     71.064   16.849  8.2718  15.989  7.4582  0.8602934      11.13768 
1 1 1 -25 26  2  o 34.655  9.7065  254.889    84.871   236.489    130.453  268.392    111.755  26.356  11.327  30.519  11.329  -4.163189      16.02021 
1 1 1 -25 26  3  o 24.378  9.6761  144.225    85.384   158.079    129.550  133.584    113.533  22.910  10.463  22.376  10.047  0.5345173      14.50606 
1 1 1 -25 26  4  o 18.337  8.2571  48.186     77.299   74.967     120.248  29.325     100.911  20.020  9.4520  18.177  8.6051  1.842594       12.78232 
1 1 1 -25 26  5  o 19.562  9.2629  63.875     117.066  63.875     117.066  0.0000     0.0000   19.562  9.2629  ?       ?       0.000000       9.262864 
1 1 1 -25 26  6  o 19.928  10.067  41.853     234.508  41.853     234.508  0.0000     0.0000   19.928  10.067  ?       ?       0.000000       10.06709 
1 1 1 -25 26  7  o 24.568  12.024  419.763    240.042  419.763    240.042  0.0000     0.0000   24.568  12.024  ?       ?       0.000000       12.02373 
1 1 1 -25 26  8  o 15.569  7.5698  -31.7658   90.790   21.598     192.562  -47.0194   102.951  19.161  9.6069  15.797  7.7603  3.364602       12.34970 
1 1 1 -25 26  9  o 16.864  7.4704  37.057     60.592   -456.7693  195.254  89.682     63.739   ?       ?       20.810  8.3274  0.000000       8.327400 
1 1 1 -25 26  10 o 15.266  6.9642  14.914     57.193   -24.8593   111.687  29.051     66.586   16.528  8.1119  16.552  7.5367  -0.2438545E-01 11.07272 
1 1 1 -25 26  11 o 15.284  6.9565  16.940     56.657   -54.1088   111.279  41.802     65.827   15.768  7.8058  17.160  7.6819  -1.392389      10.95182 
1 1 1 -25 26  12 o 12.851  6.1113  -20.9021   52.026   -107.9553  103.850  8.2662     60.113   14.260  7.1358  14.952  6.9356  -0.6918268     9.950997 
1 1 1 -25 26  13 o 12.535  5.9893  -24.9054   51.214   -110.9355  101.423  4.5379     59.334   13.992  7.0089  14.638  6.8237  -0.6463480     9.782008 
1 1 1 -25 26  14 o 18.055  7.9994  61.403     69.510   127.792    110.737  18.236     89.293   20.558  9.4927  16.516  7.8963  4.042620       12.34757 
1 1 1 -25 26  15 o 29.941  9.1147  204.124    72.154   207.858    111.387  201.423    94.712   23.906  10.370  25.423  10.159  -1.517538      14.51675 
1 1 1 -25 26  16 o 37.708  9.0174  302.716    81.391   322.395    132.932  290.914    102.942  26.899  11.493  30.435  10.940  -3.535919      15.86738 
1 1 1 -25 26  17 o 16.999  7.9396  43.845     80.947   0.0000     0.0000   43.845     80.947   ?       ?       16.999  7.9396  0.000000       7.939557 
1 1 1 -25 26  18 o 21.094  9.0989  127.104    84.796   0.0000     0.0000   127.104    84.796   ?       ?       21.094  9.0989  0.000000       9.098873 
1 1 1 -25 26  19 o 9.2094  4.6601  -131.8001  51.870   -52.3942   116.421  -151.4662  57.938   15.343  7.6591  9.5263  4.8315  5.816662       9.055623 
1 1 1 -25 26  20 o 16.179  7.9350  3.4475     106.254  -16.2047   112.994  153.593    312.325  15.919  7.8782  ?       ?       0.000000       7.878220 
1 1 1 -25 26  21 o 17.726  8.5437  60.198     109.517  39.773     116.714  210.650    316.766  17.251  8.4303  ?       ?       0.000000       8.430256 
1 1 1 -25 26  22 o 19.021  9.0057  101.644    110.576  115.104    117.669  -0.0011    323.356  19.335  9.1937  ?       ?       0.000000       9.193740 
1 1 1 -25 26  23 o 16.316  7.5055  36.168     68.316   109.222    105.259  -17.0039   89.800   19.438  9.0703  15.153  7.4026  4.285352       11.70769 
1 1 1 -25 26  24 o 11.644  5.7578  -68.7191   59.906   -74.1216   95.981   -65.2714   76.673   14.080  7.0168  13.123  6.4935  0.9574499      9.560345 
1 1 1 -25 26  25 o 16.963  7.6704  50.231     67.512   42.581     104.141  55.776     88.667   17.131  8.2750  17.410  8.1882  -0.2789059     11.64142 
1 1 1 -25 26  26 f 17.384  8.2368  58.210     92.853   -17.3741   245.966  70.772     100.273  ?       ?       17.829  8.4804  0.000000       8.480416 
1 1 1 -25 26  27 o 12.068  6.0407  -96.0338   74.688   208.253    222.490  -134.6786  79.289   18.827  9.5401  11.663  5.8874  7.163970       11.21048 
1 1 1 -25 26  28 o 13.594  6.6709  -30.9979   75.432   -201.8981  223.886  -9.1141    80.116   ?       ?       14.461  7.0487  0.000000       7.048657 
1 1 1 -25 26  29 o 10.051  5.0996  -148.0773  64.962   -183.1754  217.221  -144.6299  68.077   ?       ?       10.386  5.2641  0.000000       5.264073 
1 1 1 -25 27  1  o 29.311  9.0861  183.546    71.314   138.217    120.661  207.881    88.407   21.794  10.007  28.590  10.153  -6.796206      14.25529 
1 1 1 -25 27  2  o 16.202  7.5193  15.951     70.801   38.790     115.370  2.1527     89.673   18.444  8.8595  16.541  7.9098  1.902153       11.87669 
1 1 1 -25 27  3  o 27.955  9.9133  194.684    84.259   119.523    133.084  244.969    108.855  20.806  9.8590  28.119  10.998  -7.313026      14.77006 
1 1 1 -25 27  4  o 16.595  8.0571  -9.9239    101.879  0.0000     0.0000   -9.9239    101.879  ?       ?       16.595  8.0571  0.000000       8.057107 
1 1 1 -25 27  5  o 22.357  11.191  346.668    256.435  346.668    256.435  0.0000     0.0000   22.357  11.191  ?       ?       0.000000       11.19098 
1 1 1 -25 27  6  o ?       ?       -37.1180   248.130  -37.1180   248.130  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 27  7  o 12.506  6.3206  -174.2849  93.309   -257.8251  227.385  -157.3689  102.320  ?       ?       13.378  6.7448  0.000000       6.744847 
1 1 1 -25 27  8  o 22.272  8.8165  116.975    70.713   325.328    120.734  8.1812     87.243   30.590  11.683  16.318  7.8026  14.27206       14.04899 
1 1 1 -25 27  9  o 21.747  8.1673  101.119    58.411   32.069     108.188  129.526    69.393   17.566  8.4725  23.352  8.8720  -5.786785      12.26762 
1 1 1 -25 27  10 o 18.246  7.6642  62.997     57.442   2.8101     109.551  85.818     67.459   16.709  8.1657  19.762  8.3037  -3.053659      11.64607 
1 1 1 -25 27  11 o 16.959  7.5711  45.367     63.477   -38.6375   117.692  79.827     75.380   15.941  7.9152  19.039  8.3880  -3.097713      11.53294 
1 1 1 -25 27  12 o 31.395  9.0230  218.949    72.386   270.082    121.376  190.724    90.178   25.900  11.022  25.160  9.9575  0.7395248      14.85394 
1 1 1 -25 27  13 o 17.467  7.6233  56.525     60.971   -50.3884   109.881  104.086    73.288   15.250  7.5847  20.412  8.6199  -5.162038      11.48180 
1 1 1 -25 27  14 o 22.623  8.9864  135.608    73.700   226.577    117.821  77.132     94.463   23.651  10.450  18.348  8.5720  5.303312       13.51597 
1 1 1 -25 27  15 o ?       ?       -157.8257  45.013   -139.4510  100.581  -162.4273  50.334   13.127  6.6267  ?       ?       0.000000       6.626689 
1 1 1 -25 27  16 o 22.951  9.2019  148.945    77.997   0.0000     0.0000   148.945    77.997   ?       ?       22.951  9.2019  0.000000       9.201946 
1 1 1 -25 27  17 o 13.278  6.4219  -24.9680   63.197   0.0000     0.0000   -24.9680   63.197   ?       ?       13.278  6.4219  0.000000       6.421937 
1 1 1 -25 27  18 f 22.702  9.3637  155.758    83.497   381.400    288.786  135.174    87.222   ?       ?       21.062  9.1563  0.000000       9.156293 
1 1 1 -25 27  19 o 23.021  10.541  255.296    132.628  308.087    142.665  -80.7713   359.960  24.055  10.984  ?       ?       0.000000       10.98351 
1 1 1 -25 27  20 o 15.925  7.8337  -0.7294    106.021  -5.1640    112.520  34.366     316.538  15.991  7.9042  ?       ?       0.000000       7.904165 
1 1 1 -25 27  21 o 13.232  6.6608  -119.5924  97.665   -94.5800   102.852  -349.0091  311.492  13.931  6.9897  ?       ?       0.000000       6.989667 
1 1 1 -25 27  22 f 13.132  6.2244  -9.7120    53.111   -114.6105  98.341   33.484     63.106   13.361  6.7205  15.894  7.2754  -2.533210      9.904369 
1 1 1 -25 27  23 o 8.8513  4.4428  -89.6562   41.780   -183.9881  90.042   -63.7741   47.165   11.743  5.9625  10.344  5.1138  1.398750       7.855074 
1 1 1 -25 27  24 o 14.370  6.7957  4.8597     62.626   -1.8877    95.865   9.8829     82.715   15.523  7.5973  15.440  7.4377  0.8286285E-01  10.63197 
1 1 1 -25 27  25 f 15.456  7.4302  15.262     81.514   -124.9817  243.046  33.036     86.526   ?       ?       16.187  7.7481  0.000000       7.748077 
1 1 1 -25 27  26 o 15.957  7.5870  35.409     80.096   -322.4397  243.814  78.701     84.803   ?       ?       17.711  8.2233  0.000000       8.223333 
1 1 1 -25 27  27 o 19.115  8.7352  122.415    90.470   -113.5359  256.603  155.909    96.679   ?       ?       20.283  9.1746  0.000000       9.174634 
1 1 1 -25 27  28 o 15.310  7.4149  30.201     84.944   78.898     251.878  23.952     90.230   ?       ?       15.216  7.4307  0.000000       7.430704 
1 1 1 -25 28  1  o 13.621  6.6393  -44.8211   71.062   -24.2414   175.645  -48.8490   77.706   17.791  8.9528  13.988  6.8446  3.803134       11.26952 
1 1 1 -25 28  2  o 19.962  8.7961  92.630     82.921   66.165     189.917  98.864     92.170   19.028  9.5402  20.087  9.0335  -1.058712      13.13850 
1 1 1 -25 28  3  o 17.692  8.4830  37.847     104.691  270.187    231.319  -22.0012   117.403  21.208  10.618  16.491  8.1370  4.717520       13.37730 
1 1 1 -25 28  4  o ?       ?       -176.8048  219.470  -176.8048  219.470  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 28  5  o 22.008  11.069  431.594    266.440  431.594    266.440  0.0000     0.0000   22.008  11.069  ?       ?       0.000000       11.06858 
1 1 1 -25 28  6  o 19.642  8.6732  91.414     81.041   21.041     119.004  152.273    110.668  17.293  8.4639  21.521  9.7672  -4.227554      12.92419 
1 1 1 -25 28  7  o 18.096  8.2190  63.823     78.548   108.358    119.397  29.841     104.296  19.541  9.2825  17.150  8.2835  2.390484       12.44115 
1 1 1 -25 28  8  o 17.044  7.4895  49.336     59.745   27.534     118.451  56.775     69.191   17.243  8.4403  17.593  7.8758  -0.3504410     11.54409 
1 1 1 -25 28  9  o 13.413  6.4166  -17.0359   59.148   79.700     114.020  -52.6518   69.184   18.462  8.8523  12.965  6.3674  5.497665       10.90446 
1 1 1 -25 28  10 o 27.721  8.8988  178.968    67.850   122.741    122.234  204.008    81.571   19.507  9.3021  27.278  9.7452  -7.770592      13.47213 
1 1 1 -25 28  11 o 14.267  6.6684  6.7613     57.269   33.125     113.129  -2.3228    66.407   16.987  8.3011  14.408  6.8667  2.579013       10.77310 
1 1 1 -25 28  12 o 35.021  8.8322  266.017    75.040   385.720    128.504  204.077    92.438   30.114  11.896  25.005  10.020  5.109179       15.55426 
1 1 1 -25 28  13 f 22.200  8.8813  133.492    72.479   102.159    110.023  157.514    96.337   18.733  8.9022  21.571  9.4938  -2.837992      13.01466 
1 1 1 -25 28  14 o 18.567  8.2913  84.374     76.185   34.249     110.880  129.202    104.856  16.749  8.1915  19.724  9.1528  -2.975012      12.28312 
1 1 1 -25 28  15 o 18.350  8.6513  90.622     100.089  0.0000     0.0000   90.622     100.089  ?       ?       18.350  8.6513  0.000000       8.651321 
1 1 1 -25 28  16 o 24.540  9.9958  206.459    93.669   0.0000     0.0000   206.459    93.669   ?       ?       24.540  9.9958  0.000000       9.995787 
1 1 1 -25 28  17 o ?       ?       -286.3430  364.357  0.0000     0.0000   -286.3430  364.357  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 28  18 o 19.547  9.2992  142.494    120.666  206.571    128.426  -340.2345  352.495  21.245  9.9479  ?       ?       0.000000       9.947862 
1 1 1 -25 28  19 o 15.926  7.7521  15.068     95.942   -7.3324    99.050   355.396    386.077  15.431  7.5868  ?       ?       0.000000       7.586846 
1 1 1 -25 28  20 o 23.476  8.8766  144.875    69.256   200.314    111.388  109.937    88.426   22.304  9.9880  19.482  8.7966  2.821888       13.30942 
1 1 1 -25 28  21 o 18.341  7.8689  75.466     62.773   31.318     102.748  101.757    79.291   16.514  8.0346  19.390  8.5698  -2.876560      11.74714 
1 1 1 -25 28  22 o 17.808  7.7188  68.406     61.624   53.099     102.585  77.048     77.082   17.050  8.2301  18.032  8.1710  -0.9825535     11.59744 
1 1 1 -25 28  23 o 17.174  7.8421  61.928     72.746   -102.4029  222.805  81.537     76.963   ?       ?       18.133  8.1953  0.000000       8.195253 
1 1 1 -25 28  24 o 13.498  6.5910  -24.7886   70.934   253.947    223.294  -56.0744   74.809   18.724  9.4952  12.861  6.3727  5.863585       11.43545 
1 1 1 -25 28  25 o 14.047  6.7991  -3.8638    71.176   164.850    244.961  -19.4207   74.385   ?       ?       13.705  6.7044  0.000000       6.704441 
1 1 1 -25 28  26 o 16.186  7.6642  55.619     80.127   117.022    232.641  47.355     85.349   ?       ?       15.907  7.6355  0.000000       7.635492 
1 1 1 -25 29  1  o 19.229  8.5864  87.816     81.696   -9.5560    191.299  109.535    90.349   17.586  8.9042  20.117  9.0031  -2.531576      12.66260 
1 1 1 -25 29  2  o 14.658  7.0873  -15.9662   76.829   19.428     186.758  -23.1763   84.292   17.809  8.9950  14.826  7.2276  2.982241       11.53895 
1 1 1 -25 29  3  o 22.208  11.063  444.889    237.652  444.889    237.652  0.0000     0.0000   22.208  11.063  ?       ?       0.000000       11.06288 
1 1 1 -25 29  4  o 25.311  11.307  319.745    141.805  319.745    141.805  0.0000     0.0000   25.311  11.307  ?       ?       0.000000       11.30672 
1 1 1 -25 29  5  o 25.592  11.423  338.916    144.434  338.916    144.434  0.0000     0.0000   25.592  11.423  ?       ?       0.000000       11.42327 
1 1 1 -25 29  6  o 22.127  9.3798  149.685    87.311   100.752    125.645  195.381    121.417  18.722  9.0549  21.840  10.032  -3.118622      13.51405 
1 1 1 -25 29  7  o 25.146  9.4836  178.034    78.922   358.931    130.242  73.064     99.213   28.213  11.671  17.970  8.5144  10.24347       14.44655 
1 1 1 -25 29  8  o 24.252  9.1865  160.592    74.262   167.600    126.691  156.924    91.660   20.341  9.6331  21.925  9.4587  -1.584673      13.50054 
1 1 1 -25 29  9  o 14.007  6.4915  9.9150     52.490   -150.9223  113.375  53.795     59.219   13.475  6.8263  16.925  7.4464  -3.449716      10.10180 
1 1 1 -25 29  10 o 11.558  5.6659  -48.4958   53.962   37.317     112.886  -73.9125   61.436   16.771  8.2157  11.508  5.7148  5.263037       10.00785 
1 1 1 -25 29  11 o 15.134  7.0618  22.358     63.790   70.911     118.136  2.3753     75.789   17.534  8.5496  14.810  7.1307  2.724083       11.13295 
1 1 1 -25 29  12 o 13.377  6.5069  -25.4615   67.308   -29.6548   112.824  -23.1444   83.868   15.242  7.5974  14.349  7.0400  0.8924561      10.35770 
1 1 1 -25 29  13 o 17.457  7.8477  66.640     69.477   116.163    104.403  27.278     93.079   18.924  8.8956  16.053  7.7716  2.870911       11.81227 
1 1 1 -25 29  14 f 21.705  8.8863  136.173    74.508   255.658    108.567  29.793     102.440  24.936  10.509  16.255  7.9336  8.681372       13.16736 
1 1 1 -25 29  15 o 18.435  8.6559  100.119    98.389   0.0000     0.0000   100.119    98.389   ?       ?       18.435  8.6559  0.000000       8.655941 
1 1 1 -25 29  16 o ?       ?       -206.8139  373.444  0.0000     0.0000   -206.8139  373.444  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 29  17 o 16.560  8.1952  31.565     122.281  13.795     127.917  219.978    416.523  16.293  8.1163  ?       ?       0.000000       8.116280 
1 1 1 -25 29  18 o 18.179  8.5246  89.608     94.890   108.597    97.809   -214.3228  391.300  18.850  8.7784  ?       ?       0.000000       8.778358 
1 1 1 -25 29  19 o ?       ?       -167.6690  49.568   -242.2162  80.324   -121.8210  62.993   ?       ?       10.491  5.2898  0.000000       5.289844 
1 1 1 -25 29  20 o 12.005  5.7944  -26.5364   50.824   -18.3827   91.109   -30.2201   61.238   14.722  7.2456  12.751  6.2036  1.970797       9.538533 
1 1 1 -25 29  21 o 13.938  6.6444  0.4538     62.275   15.248     101.962  -8.3486    78.649   15.780  7.7459  14.425  7.0207  1.354940       10.45415 
1 1 1 -25 29  22 o 9.7464  4.8658  -77.9415   47.042   -506.2193  204.250  -53.9506   48.342   ?       ?       10.639  5.2444  0.000000       5.244380 
1 1 1 -25 29  23 o 16.647  7.6857  60.542     72.552   -108.5365  224.113  80.337     76.682   ?       ?       17.551  8.0287  0.000000       8.028690 
1 1 1 -25 29  24 o 14.997  7.2572  22.017     80.978   292.053    247.455  -10.3692   85.697   ?       ?       14.208  6.9993  0.000000       6.999323 
1 1 1 -25 29  25 o 10.172  5.1042  -86.6761   54.918   -194.8099  233.989  -80.3723   56.496   ?       ?       10.475  5.2449  0.000000       5.244913 
1 1 1 -25 30  1  o 15.351  7.3286  12.744     76.341   -33.3440   184.044  22.322     83.899   16.715  8.4910  15.937  7.6289  0.7779799      11.41478 
1 1 1 -25 30  2  o 15.713  7.2679  30.716     65.330   31.960     118.943  30.178     78.178   16.820  8.2785  16.043  7.5889  0.7770119      11.23051 
1 1 1 -25 30  3  o 20.574  9.7271  182.629    128.157  182.629    128.157  0.0000     0.0000   20.574  9.7271  ?       ?       0.000000       9.727127 
1 1 1 -25 30  4  o 16.281  8.1092  3.8002     127.504  3.8002     127.504  0.0000     0.0000   16.281  8.1092  ?       ?       0.000000       8.109239 
1 1 1 -25 30  5  o 16.613  7.9273  44.047     89.075   164.607    131.428  -58.3816   121.143  19.738  9.4748  15.033  7.5486  4.704976       12.11412 
1 1 1 -25 30  6  o 19.997  8.2820  101.954    65.699   -39.1847   125.171  155.621    77.185   15.400  7.7246  22.967  9.1732  -7.566341      11.99237 
1 1 1 -25 30  7  o 14.060  6.6256  6.4145     58.576   -73.6583   115.804  33.945     67.903   14.532  7.3071  15.734  7.3228  -1.202148      10.34493 
1 1 1 -25 30  8  o 23.182  8.9556  150.478    71.498   136.473    128.641  156.738    86.006   18.816  9.1158  21.815  9.2810  -2.999779      13.00906 
1 1 1 -25 30  9  f 12.375  6.0498  -37.8031   60.291   72.694     119.143  -75.8394   69.902   17.308  8.4705  12.055  6.0041  5.253240       10.38264 
1 1 1 -25 30  10 f 12.171  6.0209  -58.2846   65.756   18.446     108.855  -102.3708  82.512   15.947  7.8624  12.352  6.2058  3.594831       10.01645 
1 1 1 -25 30  11 o 11.826  5.8558  -61.5669   62.754   -108.1569  108.308  -38.0218   76.995   13.589  6.8619  13.452  6.6282  0.1371355      9.540423 
1 1 1 -25 30  12 o 30.045  9.7271  249.307    80.939   199.273    122.690  287.862    107.700  20.616  9.6755  26.533  10.751  -5.917017      14.46388 
1 1 1 -25 30  13 o 15.301  7.2124  27.123     69.488   54.358     112.487  10.316     88.365   16.747  8.2035  15.242  7.4237  1.504831       11.06386 
1 1 1 -25 30  14 o ?       ?       -75.6637   380.070  0.0000     0.0000   -75.6637   380.070  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 30  15 o ?       ?       251.929    400.407  0.0000     0.0000   251.929    400.407  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 30  16 o ?       ?       -510.5351  368.477  0.0000     0.0000   -510.5351  368.477  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 30  17 o 22.758  8.9279  148.103    71.903   205.712    98.595   82.657     105.087  23.127  9.8903  17.584  8.4489  5.543406       13.00773 
1 1 1 -25 30  18 o 10.391  5.1592  -68.1464   49.974   -80.1604   76.857   -59.3467   65.777   12.414  6.2010  12.125  6.0023  0.2892551      8.630162 
1 1 1 -25 30  19 o 13.660  6.4670  3.0959     57.007   106.802    89.589   -67.4644   73.898   18.621  8.5768  12.468  6.2041  6.152897       10.58547 
1 1 1 -25 30  20 o 13.264  6.4255  -15.2910   63.864   -103.5630  224.765  -7.5385    66.610   ?       ?       13.698  6.6171  0.000000       6.617064 
1 1 1 -25 30  21 o 16.302  7.5700  55.364     71.912   -28.6902   219.745  65.445     76.102   ?       ?       16.745  7.7797  0.000000       7.779656 
1 1 1 -25 30  22 o 10.068  5.0553  -91.3892   54.308   -223.5092  208.918  -81.8144   56.241   ?       ?       10.492  5.2503  0.000000       5.250309 
1 1 1 -25 30  23 o 16.566  7.6232  70.639     70.552   -262.5234  222.678  107.815    74.384   ?       ?       18.379  8.2011  0.000000       8.201057 
1 1 1 -25 31  1  o 12.785  6.2169  -28.0117   61.286   -1.1622    115.056  -38.6475   72.415   15.687  7.7954  13.203  6.4905  2.484200       10.14366 
1 1 1 -25 31  2  o 13.716  6.9128  -97.5466   106.938  -80.5254   112.767  -249.5306  336.965  14.210  7.1537  ?       ?       0.000000       7.153660 
1 1 1 -25 31  3  o 17.493  8.5616  84.840     121.783  84.840     121.783  0.0000     0.0000   17.493  8.5616  ?       ?       0.000000       8.561605 
1 1 1 -25 31  4  o 17.852  8.6879  101.589    120.329  101.589    120.329  0.0000     0.0000   17.852  8.6879  ?       ?       0.000000       8.687883 
1 1 1 -25 31  5  o 18.140  8.2943  90.619     81.706   85.233     125.680  94.563     107.531  17.373  8.5424  17.772  8.5415  -0.3997765     12.08014 
1 1 1 -25 31  6  o 19.262  8.1925  99.170     66.985   -54.5866   132.296  152.176    77.678   15.018  7.5838  22.041  9.0544  -7.022884      11.81084 
1 1 1 -25 31  7  o 19.646  8.3834  108.872    70.563   138.026    117.523  92.438     88.238   18.721  8.9794  17.963  8.3560  0.7587605      12.26591 
1 1 1 -25 31  8  o 15.188  7.2590  23.332     75.337   -137.2379  113.346  150.408    100.834  13.277  6.7364  19.816  9.1168  -6.538746      11.33558 
1 1 1 -25 31  9  o 14.965  7.2260  14.371     79.243   -11.5915   115.252  37.649     109.132  15.237  7.6086  16.142  7.9418  -0.9048166     10.99833 
1 1 1 -25 31  10 o 19.294  8.6549  119.373    84.021   75.198     121.279  160.144    116.512  16.999  8.3651  19.317  9.1743  -2.317631      12.41541 
1 1 1 -25 31  11 o 13.323  6.4639  -15.7016   65.271   -101.0460  105.944  36.510     82.865   13.446  6.7893  15.775  7.5594  -2.329731      10.16067 
1 1 1 -25 31  12 o 18.965  9.0915  153.209    120.131  47.635     135.968  528.873    256.482  16.492  8.2394  19.996  10.144  -3.503613      13.06847 
1 1 1 -25 31  13 o ?       ?       110.054    257.071  0.0000     0.0000   110.054    257.071  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 31  14 o ?       ?       -133.9336  384.272  0.0000     0.0000   -133.9336  384.272  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 31  15 o ?       ?       480.913    421.639  0.0000     0.0000   480.913    421.639  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 31  16 o 14.446  6.8833  12.017     66.647   74.731     98.585   -40.7683   90.446   17.112  8.2120  13.902  6.9089  3.210380       10.73169 
1 1 1 -25 31  17 o 14.825  6.9751  23.801     64.448   -49.9682   84.396   127.003    99.822   13.381  6.6538  18.802  8.7933  -5.421500      11.02700 
1 1 1 -25 31  18 o 14.910  7.0153  26.956     65.200   -3.3302    85.446   69.169     100.878  14.498  7.1117  16.736  8.0993  -2.237801      10.77842 
1 1 1 -25 31  19 o 13.621  6.7364  -28.5435   82.150   -22.5516   194.111  -29.8508   90.671   ?       ?       13.929  6.9215  0.000000       6.921531 
1 1 1 -25 31  20 o ?       ?       -146.6187  45.166   -199.2018  200.581  -143.8102  46.356   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 31  21 o 10.599  5.3271  -91.0623   61.137   210.078    214.165  -117.7798  63.791   ?       ?       10.283  5.1997  0.000000       5.199686 
1 1 1 -25 31  22 o 13.445  6.5271  3.9486     66.827   -72.8303   220.687  11.700     70.119   ?       ?       13.817  6.7027  0.000000       6.702710 
1 1 1 -25 32  1  o 16.569  7.5794  58.999     68.334   -9.8554    118.688  93.140     83.575   15.254  7.6321  17.943  8.2715  -2.689310      11.25468 
1 1 1 -25 32  2  o 17.610  8.6354  110.555    125.676  110.555    125.676  0.0000     0.0000   17.610  8.6354  ?       ?       0.000000       8.635438 
1 1 1 -25 32  3  o 16.232  8.0718  43.790     124.248  43.790     124.248  0.0000     0.0000   16.232  8.0718  ?       ?       0.000000       8.071764 
1 1 1 -25 32  4  o 19.011  8.4129  109.761    76.658   230.149    127.749  42.020     95.828   20.624  9.7389  15.966  7.7660  4.657924       12.45617 
1 1 1 -25 32  5  o 16.379  7.5822  57.148     71.314   -134.3552  241.178  75.495     74.652   ?       ?       17.232  7.8970  0.000000       7.897006 
1 1 1 -25 32  6  o 22.769  9.4264  184.299    85.062   270.319    131.868  123.001    111.318  21.501  10.072  18.090  8.6931  3.411324       13.30449 
1 1 1 -25 32  7  o 15.695  7.4469  41.501     76.413   -25.3785   116.278  92.338     101.377  14.826  7.4378  17.363  8.3309  -2.536357      11.16798 
1 1 1 -25 32  8  o 11.352  5.7098  -101.9004  70.962   -185.4195  108.945  -40.3546   93.522   ?       ?       13.875  6.9163  0.000000       6.916342 
1 1 1 -25 32  9  o 12.469  6.2009  -58.7955   73.392   -57.7462   111.860  -59.5887   97.250   14.179  7.1365  13.643  6.8383  0.5363264      9.883907 
1 1 1 -25 32  10 f 19.945  9.3494  185.523    113.968  100.995    124.898  606.049    278.581  17.274  8.4979  ?       ?       0.000000       8.497936 
1 1 1 -25 32  11 o 19.348  9.3175  192.460    129.580  139.186    149.222  355.809    261.295  17.693  8.8062  ?       ?       0.000000       8.806160 
1 1 1 -25 32  12 f 17.219  8.4866  96.731     126.495  129.062    145.109  -5.5990    258.158  17.619  8.7551  ?       ?       0.000000       8.755067 
1 1 1 -25 32  13 o ?       ?       230.110    269.159  0.0000     0.0000   230.110    269.159  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 32  14 o 17.614  8.3579  96.615     96.272   0.0000     0.0000   96.615     96.272   ?       ?       17.614  8.3579  0.000000       8.357931 
1 1 1 -25 32  15 o 17.854  8.0057  87.463     71.804   31.844     105.346  135.725    98.131   15.700  7.7393  18.917  8.8039  -3.217037      11.72196 
1 1 1 -25 32  16 o 15.567  7.1299  44.818     60.728   54.903     79.707   30.864     93.758   16.100  7.6293  15.442  7.5481  0.6579838      10.73220 
1 1 1 -25 32  17 o 16.593  7.8908  72.846     86.734   111.125    175.774  60.527     99.719   16.681  8.4554  16.141  7.8668  0.5401497      11.54903 
1 1 1 -25 32  18 o 17.211  8.1388  96.992     89.803   258.584    182.052  45.027     103.237  18.012  9.0706  15.580  7.6765  2.432095       11.88295 
1 1 1 -25 32  19 o 13.699  6.8156  -18.8122   89.012   -197.7770  184.497  35.483     101.621  ?       ?       15.134  7.4862  0.000000       7.486222 
1 1 1 -25 32  20 o 13.029  6.4822  -27.4763   80.529   -226.4246  172.137  28.264     91.115   ?       ?       14.616  7.2038  0.000000       7.203761 
1 1 1 -25 33  1  o 18.759  8.9546  157.850    113.883  168.097    120.750  75.376     342.574  18.764  9.0260  ?       ?       0.000000       9.025992 
1 1 1 -25 33  2  o 15.787  7.8554  37.450     118.433  37.450     118.433  0.0000     0.0000   15.787  7.8554  ?       ?       0.000000       7.855376 
1 1 1 -25 33  3  o 18.912  9.1757  193.165    131.541  193.165    131.541  0.0000     0.0000   18.912  9.1757  ?       ?       0.000000       9.175655 
1 1 1 -25 33  4  o 15.553  7.4478  41.743     80.144   33.468     208.134  43.183     86.840   ?       ?       15.660  7.5626  0.000000       7.562594 
1 1 1 -25 33  5  o 12.085  5.9853  -49.9300   65.667   -26.6537   119.708  -59.9490   78.538   14.690  7.3921  12.636  6.3052  2.053178       9.715904 
1 1 1 -25 33  6  o 11.251  5.6762  -111.0322  73.137   -175.9276  119.188  -71.8391   92.626   ?       ?       13.090  6.5764  0.000000       6.576445 
1 1 1 -25 33  7  o 15.051  7.2435  28.269     78.007   -17.2127   120.996  60.619     102.046  14.862  7.4727  16.209  7.9127  -1.347112      10.88363 
1 1 1 -25 33  8  f 12.537  6.3528  -123.9494  98.624   -78.9788   108.574  -336.1205  235.833  13.599  6.8675  ?       ?       0.000000       6.867511 
1 1 1 -25 33  9  o 14.518  7.3103  -36.9916   118.086  -62.8232   134.969  47.320     243.839  14.536  7.3722  ?       ?       0.000000       7.372217 
1 1 1 -25 33  10 o 15.092  7.5788  -6.4697    122.299  8.8857     137.453  -64.8165   267.937  15.513  7.8207  ?       ?       0.000000       7.820725 
1 1 1 -25 33  11 o 18.269  8.9145  160.812    129.100  202.073    147.492  25.627     266.969  18.563  9.1519  ?       ?       0.000000       9.151860 
1 1 1 -25 33  12 o 17.677  8.6074  126.315    118.570  0.0000     0.0000   126.315    118.570  ?       ?       17.677  8.6074  0.000000       8.607372 
1 1 1 -25 33  13 o 17.651  8.4905  117.523    106.828  0.0000     0.0000   117.523    106.828  ?       ?       17.651  8.4905  0.000000       8.490474 
1 1 1 -25 33  14 o 17.449  8.1725  98.044     86.785   -284.0182  207.165  179.363    95.575   ?       ?       20.482  9.2063  0.000000       9.206322 
1 1 1 -25 33  15 o 16.834  7.6833  76.242     69.716   9.7584     100.738  137.350    96.580   14.739  7.3189  18.406  8.6211  -3.667506      11.30888 
1 1 1 -25 33  16 f 17.137  8.1301  102.614    91.015   142.527    192.829  91.173     103.238  ?       ?       16.509  8.0368  0.000000       8.036837 
1 1 1 -25 33  17 o 18.360  8.5485  144.112    92.685   114.274    185.611  154.023    106.977  ?       ?       17.913  8.5850  0.000000       8.585000 
1 1 1 -25 33  18 o 15.750  7.6780  77.883     95.159   381.400    192.399  -20.4070   109.488  18.010  9.1002  13.839  6.9775  4.170245       11.46727 
1 1 1 -25 33  19 o 19.871  9.1323  221.042    100.803  279.308    212.492  204.122    114.507  ?       ?       18.094  8.7247  0.000000       8.724737 
1 1 1 -25 34  1  o 17.109  8.3745  113.175    116.567  113.175    116.567  0.0000     0.0000   17.109  8.3745  ?       ?       0.000000       8.374511 
1 1 1 -25 34  2  o 13.870  7.0106  -62.5453   114.949  -62.5453   114.949  0.0000     0.0000   13.870  7.0106  ?       ?       0.000000       7.010560 
1 1 1 -25 34  3  o 13.792  6.6097  9.7988     63.398   -81.4720   119.979  45.156     74.675   13.754  6.9731  15.436  7.3351  -1.682080      10.12066 
1 1 1 -25 34  4  o 17.637  7.8780  89.019     68.824   129.218    122.578  70.511     83.172   17.349  8.5115  16.381  7.7715  0.9679012      11.52572 
1 1 1 -25 34  5  o 15.591  7.2857  49.372     68.297   81.359     125.251  35.837     81.476   16.343  8.1233  15.173  7.3269  1.169477       10.93945 
1 1 1 -25 34  6  o 16.598  8.2678  97.513     132.635  -45.1908   157.417  446.773    246.268  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 34  7  o 16.573  8.2555  94.416     132.315  47.639     155.930  214.724    250.070  15.865  8.0337  ?       ?       0.000000       8.033659 
1 1 1 -25 34  8  o 18.018  8.8235  165.484    129.885  24.522     146.245  691.859    282.604  15.548  7.8631  ?       ?       0.000000       7.863074 
1 1 1 -25 34  9  o 14.518  7.3144  -25.3025   119.048  -43.7754   135.457  37.388     249.537  14.571  7.3897  ?       ?       0.000000       7.389660 
1 1 1 -25 34  10 o 15.740  7.5346  53.314     81.854   89.514     117.396  19.064     114.190  16.529  8.1521  15.139  7.5614  1.389974       11.11898 
1 1 1 -25 34  11 o 20.477  9.1249  176.992    91.745   168.337    150.123  182.152    115.910  17.370  8.6749  18.825  8.9992  -1.454912      12.49958 
1 1 1 -25 34  12 o 14.555  7.2555  4.2494     102.937  0.0000     0.0000   4.2494     102.937  ?       ?       14.555  7.2555  0.000000       7.255540 
1 1 1 -25 34  13 o 16.527  8.0950  99.693     109.468  0.0000     0.0000   99.693     109.468  ?       ?       16.527  8.0950  0.000000       8.095046 
1 1 1 -25 34  14 o 14.074  6.9943  1.4089     92.707   221.231    208.948  -52.4713   103.447  ?       ?       13.364  6.7433  0.000000       6.743276 
1 1 1 -25 34  15 o 12.326  6.1687  -50.5038   77.758   -172.2566  171.361  -18.9335   87.259   ?       ?       13.357  6.6617  0.000000       6.661724 
1 1 1 -25 34  16 o 17.044  8.1219  126.067    92.862   0.0095     197.151  162.007    105.271  ?       ?       17.567  8.4446  0.000000       8.444607 
1 1 1 -25 34  17 o 12.888  6.4319  -17.1638   81.869   26.555     181.235  -28.3721   91.765   ?       ?       12.949  6.5105  0.000000       6.510530 
1 1 1 -25 35  1  o 14.815  7.4510  5.6976     120.725  5.6976     120.725  0.0000     0.0000   14.815  7.4510  ?       ?       0.000000       7.450957 
1 1 1 -25 35  2  o 16.441  8.1603  99.927     124.635  99.927     124.635  0.0000     0.0000   16.441  8.1603  ?       ?       0.000000       8.160253 
1 1 1 -25 35  3  o 20.460  8.7616  151.227    77.563   92.133     160.749  169.160    88.553   16.096  8.1513  20.233  8.9935  -4.136854      12.13785 
1 1 1 -25 35  4  o 17.144  8.4762  139.105    129.656  195.035    150.027  -25.9257   257.709  17.656  8.7945  ?       ?       0.000000       8.794504 
1 1 1 -25 35  5  f 14.741  7.4195  -0.3968    120.911  -175.5548  138.811  550.426    246.158  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 35  6  o 15.068  7.5785  19.790     124.924  92.074     143.965  -200.5433  251.347  16.145  8.1222  ?       ?       0.000000       8.122166 
1 1 1 -25 35  7  o ?       ?       -180.4229  114.854  -171.5461  132.374  -207.4567  231.010  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 35  8  o 23.114  9.4135  205.647    83.057   139.920    119.650  266.774    115.387  17.255  8.4539  21.393  9.8090  -4.137823      12.94934 
1 1 1 -25 35  9  o 13.486  6.6218  -4.7771    74.693   57.896     108.981  -60.2986   102.574  15.515  7.6886  13.276  6.7009  2.238916       10.19883 
1 1 1 -25 35  10 o 26.288  9.9529  264.809    87.142   349.619    124.922  184.422    121.620  22.991  10.411  18.009  8.7573  4.981434       13.60463 
1 1 1 -25 35  11 o 15.647  7.7491  75.117     110.090  0.0000     0.0000   75.117     110.090  ?       ?       15.647  7.7491  0.000000       7.749106 
1 1 1 -25 35  12 o 12.909  6.5531  -81.1898   108.289  0.0000     0.0000   -81.1898   108.289  ?       ?       12.909  6.5531  0.000000       6.553077 
1 1 1 -25 35  13 o 13.547  6.8107  -15.7422   100.364  30.667     231.371  -26.4989   111.390  ?       ?       13.594  6.8738  0.000000       6.873836 
1 1 1 -25 35  14 f 13.140  6.6181  -25.8559   97.046   -93.9252   196.256  -3.8250    111.651  ?       ?       13.747  6.9447  0.000000       6.944652 
1 1 1 -25 35  15 o 13.826  6.9061  24.632     95.296   -343.1476  196.396  137.886    108.985  ?       ?       16.079  7.9158  0.000000       7.915798 
1 1 1 -25 36  1  o 17.010  8.4450  154.419    133.839  154.419    133.839  0.0000     0.0000   17.010  8.4450  ?       ?       0.000000       8.445034 
1 1 1 -25 36  2  o ?       ?       -161.3217  121.546  -119.6983  128.675  -506.0645  370.315  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 36  3  o 13.391  6.8084  -83.4349   120.302  -30.5384   135.100  -285.9888  264.370  14.291  7.2609  ?       ?       0.000000       7.260870 
1 1 1 -25 36  4  o 15.194  7.6724  44.829     135.376  -22.6660   156.300  247.508    270.848  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 36  5  o 20.149  9.7964  364.937    152.053  389.646    176.496  293.800    299.473  19.030  9.4883  ?       ?       0.000000       9.488322 
1 1 1 -25 36  6  o 19.248  8.4774  140.863    76.934   78.255     131.237  173.643    94.962   15.556  7.8166  19.123  8.8160  -3.567045      11.78221 
1 1 1 -25 36  7  o 15.882  7.5288  73.851     77.758   149.617    129.777  31.417     97.122   16.666  8.2813  14.599  7.2388  2.066938       10.99910 
1 1 1 -25 36  8  o 11.944  5.9749  -52.9123   72.568   -67.3829   114.973  -43.3302   93.558   13.229  6.7189  12.993  6.5379  0.2356834      9.374865 
1 1 1 -25 36  9  o 18.805  8.4705  149.379    81.412   104.455    117.708  190.579    112.723  15.784  7.8504  17.942  8.6524  -2.157162      11.68302 
1 1 1 -25 36  10 o 14.221  7.1642  21.201     114.132  0.0000     0.0000   21.201     114.132  ?       ?       14.221  7.1642  0.000000       7.164152 
1 1 1 -25 36  11 o 13.467  6.8148  -17.6668   111.027  0.0000     0.0000   -17.6668   111.027  ?       ?       13.467  6.8148  0.000000       6.814788 
1 1 1 -25 36  12 o 15.213  7.6299  110.773    121.976  0.0000     0.0000   110.773    121.976  ?       ?       15.213  7.6299  0.000000       7.629924 
1 1 1 -25 36  13 o 14.779  7.3475  86.466     102.730  -23.0115   192.681  129.946    121.428  ?       ?       15.251  7.6438  0.000000       7.643816 
1 1 1 -25 37  1  o ?       ?       -52.8499   136.067  -52.8499   136.067  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 37  2  o 15.366  7.7415  83.779     133.399  156.477    142.007  -461.9514  389.078  16.312  8.1881  ?       ?       0.000000       8.188100 
1 1 1 -25 37  3  f 10.695  5.3613  -70.0014   59.876   -161.3583  148.023  -52.1293   65.471   ?       ?       11.503  5.7423  0.000000       5.742291 
1 1 1 -25 37  4  o 12.805  6.3157  -10.0248   70.469   43.050     125.131  -34.6748   85.277   14.678  7.4077  12.765  6.3992  1.912964       9.788953 
1 1 1 -25 37  5  o 16.778  7.7678  101.722    74.891   170.989    129.542  66.950     91.783   16.574  8.2418  15.107  7.4023  1.466212       11.07796 
1 1 1 -25 37  6  o 15.440  7.3173  72.009     73.347   59.639     131.880  77.550     88.256   14.719  7.4463  15.341  7.4600  -0.6219711     10.54036 
1 1 1 -25 37  7  o 13.476  6.5195  22.718     65.236   -173.5785  126.725  93.492     76.093   ?       ?       16.099  7.5759  0.000000       7.575902 
1 1 1 -25 37  8  o 11.927  5.9786  -42.0892   74.365   142.243    203.075  -70.6360   79.916   ?       ?       11.630  5.8756  0.000000       5.875610 
1 1 1 -25 37  9  o 13.866  7.0067  30.083     114.145  0.0000     0.0000   30.083     114.145  ?       ?       13.866  7.0067  0.000000       7.006692 
1 1 1 -25 37  10 o 14.655  7.3737  97.648     118.838  0.0000     0.0000   97.648     118.838  ?       ?       14.655  7.3737  0.000000       7.373652 
1 1 1 -25 37  11 o 13.734  6.9508  48.762     115.723  0.0000     0.0000   48.762     115.723  ?       ?       13.734  6.9508  0.000000       6.950827 
1 1 1 -25 38  1  o 14.157  6.8239  41.019     69.910   115.885    128.814  9.7611     83.234   15.352  7.7181  13.423  6.6635  1.929197       10.19666 
1 1 1 -25 38  2  o 20.215  8.9029  198.752    84.839   273.416    132.370  146.700    110.523  17.950  8.8142  16.255  7.9964  1.694775       11.90097 
1 1 1 -25 38  3  o 11.875  5.8649  -19.2038   61.521   -69.3081   112.757  2.0339     73.411   ?       ?       12.902  6.3785  0.000000       6.378530 
1 1 1 -25 38  4  o 15.353  7.2103  76.414     68.329   27.198     120.923  99.500     82.819   13.879  7.0328  15.724  7.5406  -1.844724      10.31120 
1 1 1 -25 38  5  o 13.752  6.7503  37.327     77.413   40.231     158.664  36.419     88.686   ?       ?       13.777  6.8460  0.000000       6.845953 
1 1 1 -25 38  6  f 17.197  8.1636  167.289    92.026   138.888    233.979  172.486    100.092  ?       ?       16.786  8.1095  0.000000       8.109513 
1 1 1 -25 38  7  o 13.085  6.5158  18.994     82.123   260.911    226.996  -17.4378   88.090   ?       ?       12.472  6.2845  0.000000       6.284497 
1 1 1 -25 38  8  o 15.468  7.5133  122.813    88.870   279.526    219.114  91.957     97.227   ?       ?       14.440  7.1740  0.000000       7.173977 
1 1 1 -25 39  1  o 10.559  5.2874  -51.4060   57.498   -60.3754   117.338  -48.5717   65.960   ?       ?       11.119  5.5813  0.000000       5.581269 
1 1 1 -25 39  2  o 15.263  7.3687  101.681    82.308   179.322    136.472  57.295     103.186  15.190  7.6742  13.857  6.9590  1.332596       10.35953 
1 1 1 -25 39  3  o 12.728  6.3718  7.5914     83.229   -5.2249    218.809  9.7594     89.993   ?       ?       12.862  6.4644  0.000000       6.464406 
1 1 1 -25 39  4  o 12.611  6.2859  11.248     77.203   63.645     217.438  3.6896     82.584   ?       ?       12.537  6.2865  0.000000       6.286523 
1 1 1 -25 39  5  o 14.956  7.2910  112.087    85.793   70.139     226.656  119.102    92.690   ?       ?       14.876  7.3187  0.000000       7.318742 
1 1 1 -25 40  1  o 12.332  6.2421  0.4468     93.578   93.765     234.581  -17.2137   102.050  ?       ?       ?       ?       0.000000       ?        
1 1 1 -25 40  2  o 14.097  7.0603  117.334    102.684  201.025    265.067  102.557    111.380  ?       ?       13.691  6.9185  0.000000       6.918474 
1 1 1 -24 -43 29 o 13.240  6.4615  49.782     67.896   16.265     169.305  56.205     74.117   ?       ?       13.367  6.5704  0.000000       6.570378 
1 1 1 -24 -43 30 o 11.318  5.6762  -24.1660   67.458   70.811     126.506  -61.9033   79.742   ?       ?       11.074  5.6217  0.000000       5.621690 
1 1 1 -24 -43 31 o 10.621  5.2710  -24.6225   51.952   -21.9427   124.162  -25.1913   57.199   ?       ?       10.886  5.4236  0.000000       5.423553 
1 1 1 -24 -43 32 o 12.591  6.1044  27.700     57.936   170.946    128.217  -9.0516    64.945   14.557  7.3618  11.632  5.7926  2.924914       9.367558 
1 1 1 -24 -43 33 o 11.100  5.5058  -16.8536   56.360   -65.8058   122.490  -3.7066    63.479   ?       ?       11.736  5.8247  0.000000       5.824714 
1 1 1 -24 -43 34 o ?       ?       -47.3990   103.671  -216.0072  211.537  5.8993     118.933  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -43 35 o 15.355  7.6594  194.262    115.515  165.321    220.551  205.202    135.601  ?       ?       14.820  7.5032  0.000000       7.503196 
1 1 1 -24 -43 36 f ?       ?       -30.8054   105.978  -158.3288  202.924  17.021     124.271  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -43 37 o 11.060  5.4562  -11.3550   52.695   109.892    160.851  -25.9319   55.772   ?       ?       10.787  5.3711  0.000000       5.371114 
1 1 1 -24 -42 24 o 14.145  6.9488  75.457     82.521   0.0000     0.0000   75.457     82.521   ?       ?       14.145  6.9488  0.000000       6.948755 
1 1 1 -24 -42 25 o 12.596  6.2177  14.475     68.820   -11.2604   147.611  21.622     77.792   ?       ?       12.905  6.4124  0.000000       6.412444 
1 1 1 -24 -42 26 o 11.469  5.7302  -28.2494   65.776   -277.5489  204.273  0.5890     69.476   ?       ?       12.308  6.1063  0.000000       6.106325 
1 1 1 -24 -42 27 o ?       ?       -125.6829  64.090   -141.2819  122.877  -119.8533  75.118   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -42 28 o 15.376  7.4585  108.679    86.793   150.902    181.418  96.146     98.839   ?       ?       14.715  7.2975  0.000000       7.297460 
1 1 1 -24 -42 29 o 15.222  7.3903  100.085    85.714   167.989    170.886  77.259     99.079   ?       ?       14.375  7.1582  0.000000       7.158224 
1 1 1 -24 -42 30 f 16.718  7.7568  123.688    75.272   127.267    172.508  122.846    83.656   ?       ?       16.115  7.6877  0.000000       7.687662 
1 1 1 -24 -42 31 o 14.168  6.6992  51.770     60.824   -12.6561   132.627  68.929     68.447   ?       ?       14.747  7.0120  0.000000       7.011979 
1 1 1 -24 -42 32 o 12.054  5.8721  1.2094     55.385   34.423     126.639  -6.6458    61.587   13.739  6.9851  12.045  5.9337  1.693664       9.165128 
1 1 1 -24 -42 33 o 12.086  6.0104  -15.5267   68.954   198.634    159.134  -65.0313   76.509   ?       ?       11.365  5.7423  0.000000       5.742271 
1 1 1 -24 -42 34 o 10.994  5.5215  -54.6033   64.996   -78.0551   127.312  -46.3363   75.588   ?       ?       11.669  5.8723  0.000000       5.872335 
1 1 1 -24 -42 35 o ?       ?       -74.4249   102.139  2.6773     191.089  -105.2641  120.852  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -42 36 o 12.393  6.2129  -16.8032   80.462   110.888    202.735  -40.6770   87.662   ?       ?       12.162  6.1452  0.000000       6.145172 
1 1 1 -24 -42 37 o 15.338  7.0187  74.474     58.671   38.213     210.355  77.533     61.096   ?       ?       15.380  7.0836  0.000000       7.083605 
1 1 1 -24 -42 38 o 9.1080  4.5887  -75.6010   46.865   -10.6613   123.138  -86.6008   50.679   ?       ?       9.2192  4.6595  0.000000       4.659462 
1 1 1 -24 -42 39 o 12.804  6.1356  23.618     54.589   56.087     125.997  16.115     60.569   13.827  7.0241  12.642  6.1547  1.185500       9.339068 
1 1 1 -24 -42 40 o 14.373  6.6732  57.894     55.837   -20.3710   130.256  75.514     61.803   ?       ?       15.055  6.9999  0.000000       6.999911 
1 1 1 -24 -42 41 o 14.565  6.7459  63.471     56.561   41.932     136.448  67.940     62.153   ?       ?       14.585  6.8583  0.000000       6.858324 
1 1 1 -24 -42 42 o 13.302  6.3646  39.401     58.246   155.112    132.211  11.534     64.882   14.675  7.4273  12.405  6.1070  2.269995       9.615604 
1 1 1 -24 -41 20 o 11.390  5.7006  -34.3208   66.408   0.0000     0.0000   -34.3208   66.408   ?       ?       11.390  5.7006  0.000000       5.700551 
1 1 1 -24 -41 21 o 12.325  6.1224  -5.9392    70.708   0.0000     0.0000   -5.9392    70.708   ?       ?       12.325  6.1224  0.000000       6.122373 
1 1 1 -24 -41 22 o 17.061  7.9084  132.682    77.960   0.0000     0.0000   132.682    77.960   ?       ?       17.061  7.9084  0.000000       7.908446 
1 1 1 -24 -41 23 o 16.121  7.7051  116.441    84.872   0.0000     0.0000   116.441    84.872   ?       ?       16.121  7.7051  0.000000       7.705118 
1 1 1 -24 -41 24 o 13.028  6.3995  11.604     69.983   46.488     140.610  0.1171     80.687   ?       ?       12.976  6.4611  0.000000       6.461062 
1 1 1 -24 -41 25 o 11.864  5.8677  -21.1723   62.350   33.145     143.154  -33.8889   69.266   ?       ?       11.864  5.9201  0.000000       5.920054 
1 1 1 -24 -41 26 o 11.741  5.8087  -24.9582   61.278   17.469     126.921  -37.8538   69.973   13.961  7.0879  11.845  5.9168  2.115933       9.232937 
1 1 1 -24 -41 27 o 13.648  6.5713  28.719     64.367   39.403     126.960  25.022     74.676   14.290  7.2375  13.672  6.6944  0.6177483      9.858806 
1 1 1 -24 -41 28 o 11.900  5.9617  -45.5038   73.508   3.1419     122.937  -72.5737   91.707   13.856  7.0284  12.157  6.1565  1.698862       9.343451 
1 1 1 -24 -41 29 o 15.370  7.4839  82.229     89.615   206.244    172.245  36.201     104.936  ?       ?       14.255  7.1391  0.000000       7.139125 
1 1 1 -24 -41 30 o 15.142  7.3570  70.941     85.383   59.573     163.075  75.234     100.218  ?       ?       15.080  7.4549  0.000000       7.454874 
1 1 1 -24 -41 31 o 14.058  6.7943  35.166     70.423   6.1326     163.609  41.769     78.020   ?       ?       14.318  6.9739  0.000000       6.973855 
1 1 1 -24 -41 32 o 19.090  8.3244  143.406    72.560   162.643    135.966  135.746    85.799   16.111  8.0767  17.434  8.1529  -1.322819      11.47621 
1 1 1 -24 -41 33 o 14.085  6.7320  36.808     64.787   9.7460     125.636  46.611     75.616   14.057  7.1279  14.482  7.0093  -0.4244814     9.996835 
1 1 1 -24 -41 34 o 15.499  7.0013  63.538     56.087   71.361     126.233  61.614     62.607   14.880  7.5011  15.206  7.0620  -0.3259926     10.30233 
1 1 1 -24 -41 35 o 13.532  6.6346  16.839     74.102   106.474    128.067  -28.2745   90.856   15.373  7.7245  12.919  6.4932  2.454188       10.09102 
1 1 1 -24 -41 36 o 12.204  6.0943  -34.4521   74.013   -102.8194  200.048  -23.6097   79.666   ?       ?       12.657  6.3211  0.000000       6.321074 
1 1 1 -24 -41 37 o 10.518  5.3372  -114.4467  71.373   298.199    197.205  -176.6455  76.563   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -41 38 o 14.225  6.6309  42.463     56.022   75.574     130.431  34.973     62.036   14.810  7.4841  13.906  6.6298  0.9039307      9.998353 
1 1 1 -24 -41 39 o 18.004  7.6379  104.228    57.964   81.767     134.931  109.311    64.188   14.814  7.4983  17.673  7.7645  -2.858862      10.79406 
1 1 1 -24 -41 40 o 18.913  7.9434  123.701    61.688   280.036    135.719  82.992     69.256   17.858  8.7995  15.802  7.3682  2.055643       11.47700 
1 1 1 -24 -41 41 o 12.205  5.8953  2.8399     52.831   -49.7507   122.829  14.778     58.521   ?       ?       12.888  6.2199  0.000000       6.219879 
1 1 1 -24 -41 42 o 17.049  7.3991  93.551     56.763   208.417    135.687  69.185     62.494   16.286  8.1505  15.213  7.0618  1.073517       10.78420 
1 1 1 -24 -41 43 o 15.011  6.9214  64.770     58.563   52.815     141.014  67.261     64.377   ?       ?       14.952  7.0145  0.000000       7.014513 
1 1 1 -24 -41 44 o 16.359  7.3148  91.225     59.502   194.756    122.029  58.930     68.154   16.201  8.0467  14.389  6.8847  1.811345       10.59002 
1 1 1 -24 -41 45 o 11.498  5.6346  -9.5354    53.244   95.200     113.352  -39.1868   60.312   14.478  7.2740  11.017  5.5018  3.461062       9.120306 
1 1 1 -24 -40 17 o 14.655  6.8583  60.639     60.893   0.0000     0.0000   60.639     60.893   ?       ?       14.655  6.8583  0.000000       6.858294 
1 1 1 -24 -40 18 o 15.037  7.5362  105.659    117.951  0.0000     0.0000   105.659    117.951  ?       ?       15.037  7.5362  0.000000       7.536204 
1 1 1 -24 -40 19 o 13.563  6.8580  -0.8089    110.867  0.0000     0.0000   -0.8089    110.867  ?       ?       13.563  6.8580  0.000000       6.858043 
1 1 1 -24 -40 20 o 13.115  6.5295  -4.4711    82.291   0.0000     0.0000   -4.4711    82.291   ?       ?       13.115  6.5295  0.000000       6.529532 
1 1 1 -24 -40 21 o 13.606  6.6010  21.938     68.063   0.0000     0.0000   21.938     68.063   ?       ?       13.606  6.6010  0.000000       6.600972 
1 1 1 -24 -40 22 o 11.547  5.7655  -49.4773   66.120   -228.9737  141.305  0.8411     74.816   ?       ?       13.207  6.5126  0.000000       6.512627 
1 1 1 -24 -40 23 o 13.151  6.4133  5.5272     66.537   99.679     135.460  -24.4118   76.387   15.472  7.7958  12.684  6.3108  2.788584       10.02998 
1 1 1 -24 -40 24 o 15.943  7.3580  72.741     66.417   -6.3402    145.148  93.684     74.696   ?       ?       16.628  7.7196  0.000000       7.719550 
1 1 1 -24 -40 25 o 13.589  6.5414  17.930     63.716   46.431     128.097  8.5600     73.446   14.892  7.5132  13.539  6.6312  1.353545       10.02108 
1 1 1 -24 -40 26 o 12.615  6.1610  -8.4877    62.048   97.944     123.276  -44.5985   71.806   15.768  7.8727  12.107  6.0393  3.660150       9.922276 
1 1 1 -24 -40 27 o 13.500  6.5084  14.136     63.648   -8.5498    122.600  22.506     74.470   14.181  7.1747  14.049  6.8364  0.1321821      9.910223 
1 1 1 -24 -40 28 o 11.438  5.6647  -41.6052   58.845   -6.4923    115.146  -54.0176   68.461   14.135  7.1303  11.737  5.8612  2.398427       9.230106 
1 1 1 -24 -40 29 o 19.200  8.7335  165.158    89.122   248.612    167.625  132.270    105.228  17.231  8.6810  17.023  8.2466  0.2084846      11.97356 
1 1 1 -24 -40 30 o 12.656  6.3085  -35.5314   77.756   -43.1046   149.441  -32.7202   91.051   ?       ?       13.200  6.6166  0.000000       6.616553 
1 1 1 -24 -40 31 o 12.412  6.2030  -46.1247   77.355   -166.9549  149.655  -2.0728    90.362   ?       ?       13.813  6.8713  0.000000       6.871261 
1 1 1 -24 -40 32 o 14.533  6.9007  37.395     65.844   68.832     123.046  24.781     77.942   15.423  7.7248  14.253  6.9486  1.169378       10.39017 
1 1 1 -24 -40 33 o 19.936  7.9067  115.077    56.971   52.877     126.747  130.826    63.777   15.169  7.6298  20.240  8.2465  -5.070895      11.23476 
1 1 1 -24 -40 34 o 14.143  6.5668  32.563     54.082   -91.8967   124.683  61.405     60.022   ?       ?       15.732  7.1605  0.000000       7.160471 
1 1 1 -24 -40 35 o 11.570  5.6371  -20.9093   51.070   12.345     118.979  -28.4198   56.543   14.509  7.3101  11.702  5.7492  2.807021       9.300006 
1 1 1 -24 -40 36 o 13.760  6.8017  3.2747     83.353   48.867     204.083  -5.8533    91.317   ?       ?       13.742  6.8473  0.000000       6.847309 
1 1 1 -24 -40 37 o 13.339  6.6254  -12.9552   82.724   -39.1571   205.298  -7.8762    90.387   ?       ?       13.660  6.8078  0.000000       6.807775 
1 1 1 -24 -40 38 f 14.477  7.0801  32.271     82.797   -42.2186   212.493  45.604     89.902   ?       ?       14.888  7.3011  0.000000       7.301091 
1 1 1 -24 -40 39 o 12.373  5.9665  -3.3836    53.571   -104.4416  123.732  19.931     59.431   ?       ?       13.593  6.4830  0.000000       6.482985 
1 1 1 -24 -40 40 o 13.583  6.4087  23.182     55.102   -147.4292  128.235  61.816     61.022   ?       ?       15.586  7.1418  0.000000       7.141756 
1 1 1 -24 -40 41 o 15.885  7.2078  67.775     60.221   63.011     134.434  68.971     67.357   15.066  7.6125  15.739  7.3147  -0.6728344     10.55719 
1 1 1 -24 -40 42 o 14.840  6.8966  49.707     59.874   168.325    130.767  18.243     67.348   16.646  8.2784  13.601  6.5909  3.045827       10.58168 
1 1 1 -24 -40 43 o 10.825  5.3520  -39.3761   51.682   -43.4911   111.901  -38.2604   58.269   13.283  6.7346  11.343  5.6214  1.940124       8.772448 
1 1 1 -24 -40 44 o 15.912  7.0899  69.449     55.379   62.564     121.566  71.252     62.209   14.774  7.4366  15.729  7.2084  -0.9543810     10.35685 
1 1 1 -24 -40 45 o 10.853  5.3710  -37.3800   52.523   -20.9804   111.576  -42.0487   59.532   13.380  6.7776  11.208  5.5758  2.172161       8.776435 
1 1 1 -24 -40 46 o 12.498  6.0525  6.1396     56.572   -1.9574    121.024  8.4035     63.994   13.609  6.9105  12.829  6.2634  0.7807064      9.326589 
1 1 1 -24 -40 47 o 12.462  6.2152  -14.0046   75.958   130.801    161.515  -55.1252   86.069   ?       ?       12.006  6.0682  0.000000       6.068170 
1 1 1 -24 -39 15 o 12.898  6.4299  -10.3846   80.895   0.0000     0.0000   -10.3846   80.895   ?       ?       12.898  6.4299  0.000000       6.429867 
1 1 1 -24 -39 16 o 12.016  5.9320  -22.4753   62.673   0.0000     0.0000   -22.4753   62.673   ?       ?       12.016  5.9320  0.000000       5.931993 
1 1 1 -24 -39 17 o 11.386  5.5771  -24.1721   51.980   0.0000     0.0000   -24.1721   51.980   ?       ?       11.386  5.5771  0.000000       5.577134 
1 1 1 -24 -39 18 f 13.545  6.8503  -36.2225   111.150  0.0000     0.0000   -36.2225   111.150  ?       ?       13.545  6.8503  0.000000       6.850341 
1 1 1 -24 -39 19 o 16.656  8.2280  137.720    121.269  0.0000     0.0000   137.720    121.269  ?       ?       16.656  8.2280  0.000000       8.227994 
1 1 1 -24 -39 20 o 20.284  9.7212  320.986    137.157  0.0000     0.0000   320.986    137.157  ?       ?       20.284  9.7212  0.000000       9.721215 
1 1 1 -24 -39 21 o 20.347  8.6340  149.872    74.098   235.128    147.551  121.119    85.687   17.939  8.8996  17.737  8.2454  0.2021217      12.13210 
1 1 1 -24 -39 22 o 14.849  7.0223  41.007     66.877   198.644    135.034  -10.2242   76.981   17.825  8.7822  13.378  6.5988  4.446923       10.98505 
1 1 1 -24 -39 23 o 16.516  7.5314  74.705     66.799   53.962     138.348  81.011     76.280   15.454  7.7980  16.539  7.7188  -1.084602      10.97213 
1 1 1 -24 -39 24 o 19.445  8.2461  121.746    67.524   337.144    128.397  39.397     79.389   22.332  10.279  14.972  7.2304  7.359653       12.56739 
1 1 1 -24 -39 25 o 13.850  6.6157  17.042     62.390   -10.8788   122.718  26.774     72.451   14.517  7.3273  14.475  6.9698  0.4193687E-01  10.11276 
1 1 1 -24 -39 26 o 13.655  6.5443  12.081     62.151   -26.1160   119.374  26.285     72.795   14.265  7.2033  14.481  6.9760  -0.2162075     10.02759 
1 1 1 -24 -39 27 o 11.878  5.8527  -35.7548   60.009   78.897     117.287  -76.4104   69.843   16.032  7.9503  11.516  5.7754  4.515857       9.826573 
1 1 1 -24 -39 28 o 14.938  6.9723  40.671     62.258   -56.0443   118.640  77.427     73.138   13.862  7.0178  16.596  7.6811  -2.734173      10.40428 
1 1 1 -24 -39 29 o 9.6504  4.8816  -114.9638  56.598   -200.5409  111.171  -85.0227   65.757   ?       ?       11.051  5.5506  0.000000       5.550568 
1 1 1 -24 -39 30 o 13.115  6.5058  -28.4568   78.779   -52.7177   149.060  -19.0539   92.798   ?       ?       13.816  6.8873  0.000000       6.887328 
1 1 1 -24 -39 31 o 12.847  6.2643  -12.5815   63.454   -26.4932   142.597  -9.1466    70.856   14.658  7.4486  13.304  6.5155  1.354182       9.896152 
1 1 1 -24 -39 32 o 17.742  7.9996  99.098     72.831   180.170    164.938  79.462     81.173   17.079  8.6050  16.524  7.7909  0.5542336      11.60789 
1 1 1 -24 -39 33 o 13.948  6.4397  25.653     50.943   -13.6361   125.007  33.477     55.785   14.587  7.3666  14.506  6.7119  0.8079147E-01  9.965771 
1 1 1 -24 -39 34 o 11.065  5.4264  -36.0275   49.667   -200.2858  119.043  -1.4083    54.651   ?       ?       12.786  6.1300  0.000000       6.129972 
1 1 1 -24 -39 35 o 16.628  7.3008  68.127     56.672   245.582    131.180  27.407     62.839   19.470  9.3759  14.360  6.7961  5.109767       11.57990 
1 1 1 -24 -39 36 o 12.562  6.0035  -2.1398    51.504   5.0727     122.155  -3.6991    56.799   14.819  7.4587  12.813  6.1701  2.006151       9.679948 
1 1 1 -24 -39 37 o 13.004  6.4880  -41.4723   83.079   53.526     202.067  -60.7978   91.139   ?       ?       12.957  6.5110  0.000000       6.510986 
1 1 1 -24 -39 38 o 17.406  8.1949  108.847    89.227   -20.6308   218.804  134.674    97.721   ?       ?       17.991  8.5023  0.000000       8.502301 
1 1 1 -24 -39 39 o 16.563  7.4192  70.543     61.498   -52.2045   217.910  81.165     64.104   ?       ?       17.107  7.6248  0.000000       7.624763 
1 1 1 -24 -39 40 o 14.008  6.5581  24.991     55.784   188.547    127.894  -13.4358   61.991   18.092  8.8379  12.699  6.1922  5.393283       10.79130 
1 1 1 -24 -39 41 o 13.273  6.2774  12.367     53.447   -1.3204    111.568  16.444     60.889   14.459  7.2579  13.748  6.5583  0.7111254      9.782025 
1 1 1 -24 -39 42 o 29.686  8.7517  230.073    67.330   99.692     134.595  273.589    77.759   16.107  8.0692  30.448  9.4959  -14.34086      12.46132 
1 1 1 -24 -39 43 o 20.139  8.0985  121.449    60.608   130.891    127.542  118.695    68.882   16.647  8.2611  18.900  8.1765  -2.253633      11.62332 
1 1 1 -24 -39 44 o 16.085  7.2441  66.326     59.519   -90.8699   126.457  111.060    67.459   ?       ?       18.411  8.0274  0.000000       8.027375 
1 1 1 -24 -39 45 o 15.349  7.0549  55.541     60.182   45.871     138.271  57.801     66.845   15.023  7.6025  15.377  7.1927  -0.3542213     10.46578 
1 1 1 -24 -39 46 o 11.597  5.7062  -28.5824   56.370   -60.6610   127.586  -20.8017   62.836   ?       ?       12.227  6.0175  0.000000       6.017480 
1 1 1 -24 -39 47 o 14.669  7.1026  48.090     77.824   129.526    141.358  12.672     93.223   15.743  7.9360  13.889  6.9205  1.853523       10.52968 
1 1 1 -24 -39 48 o 15.586  7.5019  84.185     83.741   66.470     170.671  89.802     96.104   ?       ?       15.486  7.5848  0.000000       7.584843 
1 1 1 -24 -38 12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -38 13 o 25.167  9.9403  275.955    89.702   0.0000     0.0000   275.955    89.702   ?       ?       25.167  9.9403  0.000000       9.940274 
1 1 1 -24 -38 14 o 9.6504  4.5767  -12.2835   28.792   0.0000     0.0000   -12.2835   28.792   ?       ?       9.6504  4.5767  0.000000       4.576683 
1 1 1 -24 -38 15 o ?       ?       -395.6500  18.319   0.0000     0.0000   -395.6500  18.319   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -38 16 o 15.212  6.8842  48.239     54.509   0.0000     0.0000   48.239     54.509   ?       ?       15.212  6.8842  0.000000       6.884203 
1 1 1 -24 -38 17 o 13.729  6.5077  17.416     58.069   0.0000     0.0000   17.416     58.069   ?       ?       13.729  6.5077  0.000000       6.507652 
1 1 1 -24 -38 18 o 16.426  7.6174  72.208     72.453   0.0000     0.0000   72.208     72.453   ?       ?       16.426  7.6174  0.000000       7.617426 
1 1 1 -24 -38 19 o 16.281  8.0589  83.368     118.487  0.0000     0.0000   83.368     118.487  ?       ?       16.281  8.0589  0.000000       8.058892 
1 1 1 -24 -38 20 o 19.449  9.1184  185.618    108.482  542.414    211.092  57.567     126.459  20.368  10.189  15.845  7.9205  4.523540       12.90571 
1 1 1 -24 -38 21 o 18.276  8.2025  107.317    75.564   263.135    190.152  78.097     82.345   17.882  9.0367  16.665  7.8540  1.217106       11.97279 
1 1 1 -24 -38 22 o 12.544  6.1195  -20.5856   60.746   290.174    130.478  -106.5829  68.638   21.285  9.9857  10.924  5.5097  10.36076       11.40487 
1 1 1 -24 -38 23 o 13.668  6.5258  9.2234     60.559   -47.7671   122.189  27.781     69.725   14.275  7.2166  14.710  7.0177  -0.4352226     10.06610 
1 1 1 -24 -38 24 o 16.398  7.4562  64.225     64.880   206.551    124.310  10.941     76.061   19.288  9.2470  14.290  6.9434  4.998371       11.56367 
1 1 1 -24 -38 25 o 15.349  7.1543  43.770     65.201   24.846     124.188  50.971     76.609   15.403  7.7214  15.712  7.4555  -0.3092566     10.73336 
1 1 1 -24 -38 26 o 14.849  6.9589  33.819     63.067   77.946     118.324  16.308     74.538   16.361  8.0905  14.427  6.9769  1.933743       10.68328 
1 1 1 -24 -38 27 o 12.735  6.1804  -13.9342   59.790   29.107     110.862  -31.5881   71.001   15.355  7.6340  12.823  6.3272  2.532238       9.915179 
1 1 1 -24 -38 28 o 17.701  7.8425  87.690     66.803   92.754     122.158  85.530     79.792   16.627  8.2218  17.097  7.9508  -0.4697704     11.43730 
1 1 1 -24 -38 29 o 11.390  5.6524  -56.2359   59.712   105.628    112.388  -119.8987  70.484   17.042  8.3159  10.828  5.4743  6.214175       9.956047 
1 1 1 -24 -38 30 o 15.373  7.2479  43.628     70.245   274.882    154.407  -16.7239   78.880   19.309  9.4892  13.586  6.6972  5.722644       11.61454 
1 1 1 -24 -38 31 o 16.674  7.7548  73.960     75.927   0.0000     0.0000   73.960     75.927   ?       ?       16.674  7.7548  0.000000       7.754751 
1 1 1 -24 -38 32 o 10.591  5.3036  -81.2399   57.880   -259.0212  189.363  -62.9190   60.789   ?       ?       11.301  5.6240  0.000000       5.624000 
1 1 1 -24 -38 33 o 13.410  6.3466  9.0442     54.823   72.453     195.820  3.6515     57.106   ?       ?       13.285  6.3415  0.000000       6.341450 
1 1 1 -24 -38 34 f 16.355  7.1801  59.766     54.801   84.912     123.162  53.558     61.192   16.500  8.1763  15.874  7.2268  0.6267071      10.91232 
1 1 1 -24 -38 35 o 21.012  8.1491  120.700    59.379   231.361    129.653  91.328     66.796   19.741  9.4587  17.977  7.9089  1.764334       12.32951 
1 1 1 -24 -38 36 o 12.546  5.9904  -5.1581    51.037   27.965     115.936  -13.1200   56.840   15.435  7.6952  12.607  6.0958  2.827984       9.817068 
1 1 1 -24 -38 37 o 16.646  7.9725  77.861     91.915   -7.4717    212.995  97.388     101.890  ?       ?       17.097  8.2405  0.000000       8.240541 
1 1 1 -24 -38 38 o 18.387  8.5369  124.374    91.385   -5.0453    219.572  151.488    100.503  ?       ?       18.975  8.8571  0.000000       8.857078 
1 1 1 -24 -38 39 o 14.190  7.0114  -7.4294    88.231   -217.2127  211.512  36.765     97.081   ?       ?       15.455  7.5809  0.000000       7.580903 
1 1 1 -24 -38 40 o 25.833  8.5743  174.124    62.733   173.170    125.900  174.439    72.355   18.419  8.9457  23.557  9.0330  -5.138256      12.71306 
1 1 1 -24 -38 41 o 19.819  8.0938  110.796    61.615   112.238    126.317  110.345    70.581   17.018  8.4050  18.921  8.2310  -1.902521      11.76408 
1 1 1 -24 -38 42 o 13.863  6.5199  17.451     56.218   37.509     120.352  11.853     63.581   15.581  7.7795  13.904  6.6518  1.677327       10.23552 
1 1 1 -24 -38 43 o 10.142  5.0738  -77.2462   52.337   -88.5581   126.653  -74.9168   57.474   13.832  7.0280  10.690  5.3432  3.141820       8.828528 
1 1 1 -24 -38 44 o 18.856  7.9442  101.611    62.011   36.769     139.201  117.665    69.263   15.543  7.8403  19.321  8.2769  -3.778354      11.40080 
1 1 1 -24 -38 45 o 10.401  5.2005  -74.1919   54.668   -146.7938  131.181  -58.9335   60.138   ?       ?       11.270  5.6060  0.000000       5.605983 
1 1 1 -24 -38 46 o 17.330  7.6261  83.427     62.139   211.741    137.513  50.503     69.657   18.230  8.9581  15.391  7.2444  2.839059       11.52080 
1 1 1 -24 -38 47 o 13.385  6.3982  11.101     58.565   -4.8328    137.256  14.647     64.756   14.657  7.4341  13.747  6.6121  0.9102583      9.949131 
1 1 1 -24 -38 48 o 16.056  7.6318  77.727     80.949   141.209    182.433  62.164     90.328   ?       ?       15.434  7.5146  0.000000       7.514572 
1 1 1 -24 -38 49 o 18.193  8.4967  153.971    92.688   379.140    192.743  86.237     105.713  17.751  8.9825  15.684  7.7357  2.066887       11.85438 
1 1 1 -24 -38 50 o 12.328  6.0336  -10.0217   60.458   -107.8245  165.333  5.0753     64.957   ?       ?       13.011  6.3431  0.000000       6.343114 
1 1 1 -24 -37 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -37 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -37 12 o 11.696  5.5302  -3.1913    41.444   0.0000     0.0000   -3.1913    41.444   ?       ?       11.696  5.5302  0.000000       5.530172 
1 1 1 -24 -37 13 o 10.745  5.3730  -73.3137   58.398   0.0000     0.0000   -73.3137   58.398   ?       ?       10.745  5.3730  0.000000       5.372973 
1 1 1 -24 -37 14 o 10.279  4.8504  -11.0393   31.584   0.0000     0.0000   -11.0393   31.584   ?       ?       10.279  4.8504  0.000000       4.850385 
1 1 1 -24 -37 15 o 10.114  5.0191  -59.3718   47.070   0.0000     0.0000   -59.3718   47.070   ?       ?       10.114  5.0191  0.000000       5.019100 
1 1 1 -24 -37 16 f 12.210  5.8136  -6.9582    47.375   0.0000     0.0000   -6.9582    47.375   ?       ?       12.210  5.8136  0.000000       5.813646 
1 1 1 -24 -37 17 o 15.170  7.1376  36.396     67.480   0.0000     0.0000   36.396     67.480   ?       ?       15.170  7.1376  0.000000       7.137581 
1 1 1 -24 -37 18 o 13.394  6.3835  3.2183     57.392   -16.8450   125.984  8.4723     64.470   14.986  7.5468  13.948  6.6796  1.038158       10.07823 
1 1 1 -24 -37 19 o 12.825  6.4120  -63.9726   83.027   127.717    120.070  -239.6132  114.934  17.759  8.6503  ?       ?       0.000000       8.650290 
1 1 1 -24 -37 20 o 13.623  6.8242  -53.7607   96.184   38.933     177.964  -92.0093   114.319  ?       ?       13.660  6.9127  0.000000       6.912746 
1 1 1 -24 -37 21 o 14.670  7.3049  -10.7903   103.170  -159.3118  190.170  51.154     122.814  ?       ?       16.119  8.0172  0.000000       8.017205 
1 1 1 -24 -37 22 o 16.173  7.3544  55.819     63.136   25.106     123.994  66.570     73.358   15.648  7.8250  16.625  7.6939  -0.9773693     10.97391 
1 1 1 -24 -37 23 o 17.717  7.7695  81.876     64.012   -7.8073    123.476  114.838    74.857   15.093  7.5839  19.130  8.3952  -4.036592      11.31349 
1 1 1 -24 -37 24 o 13.741  6.5581  7.0778     61.037   12.130     117.569  5.2138     71.415   15.325  7.6570  14.102  6.8221  1.222455       10.25527 
1 1 1 -24 -37 25 o 14.436  6.8025  22.404     61.738   41.715     115.929  14.758     72.943   15.858  7.8709  14.482  6.9782  1.376051       10.51887 
1 1 1 -24 -37 26 o 12.199  5.9843  -34.2941   60.531   -59.3527   114.534  -24.5825   71.302   14.103  7.1135  13.160  6.4637  0.9422588      9.611527 
1 1 1 -24 -37 27 o 16.432  7.4927  61.488     66.105   83.131     123.345  52.767     78.299   16.687  8.2532  15.981  7.5697  0.7059793      11.19896 
1 1 1 -24 -37 28 o 13.884  6.5304  14.963     56.418   110.208    115.784  -14.6932   64.608   17.378  8.4715  13.105  6.3749  4.273377       10.60216 
1 1 1 -24 -37 29 o 11.662  5.6474  -23.9590   49.236   -115.7855  111.067  -1.4996    54.929   13.197  6.6929  13.047  6.2253  0.1508350      9.140509 
1 1 1 -24 -37 30 o 11.856  5.6905  -15.5812   47.374   -145.9510  111.714  13.004     52.311   ?       ?       13.594  6.3602  0.000000       6.360157 
1 1 1 -24 -37 31 o 13.573  6.5530  -2.3049    65.097   44.131     199.145  -7.8604    68.882   ?       ?       13.562  6.5937  0.000000       6.593708 
1 1 1 -24 -37 32 o 17.126  7.8594  77.555     74.296   173.456    197.479  61.743     80.188   17.302  8.7898  16.348  7.7184  0.9546890      11.69759 
1 1 1 -24 -37 33 o 13.720  6.6874  -7.7966    72.114   73.902     206.122  -19.1915   76.979   ?       ?       13.598  6.6863  0.000000       6.686311 
1 1 1 -24 -37 34 o 15.206  6.9484  39.091     57.234   91.410     143.274  29.157     62.432   16.765  8.3880  14.796  6.9306  1.969203       10.88083 
1 1 1 -24 -37 35 o 15.760  7.0876  48.271     56.735   55.302     126.920  46.514     63.425   16.208  8.0756  15.684  7.2213  0.5234203      10.83335 
1 1 1 -24 -37 36 o 12.436  5.9727  -12.1296   52.395   140.180    123.677  -45.4436   57.842   18.008  8.7732  11.662  5.7460  6.346028       10.48740 
1 1 1 -24 -37 37 o 20.264  8.1619  112.398    61.668   113.026    128.689  112.211    70.261   17.325  8.5431  19.391  8.3223  -2.065887      11.92666 
1 1 1 -24 -37 38 o 13.903  6.8884  -25.5509   87.336   22.233     204.816  -36.1702   96.554   ?       ?       14.006  6.9888  0.000000       6.988811 
1 1 1 -24 -37 39 o 13.615  6.7731  -40.0559   87.869   20.045     206.523  -53.3401   97.095   ?       ?       13.713  6.8676  0.000000       6.867640 
1 1 1 -24 -37 40 o 17.001  8.0849  78.613     91.044   160.126    220.548  61.868     99.959   ?       ?       16.424  7.9756  0.000000       7.975578 
1 1 1 -24 -37 41 o 16.835  7.4557  64.476     60.318   145.594    133.190  43.547     67.653   18.030  8.8509  15.650  7.2924  2.379296       11.46814 
1 1 1 -24 -37 42 o 12.689  6.1157  -13.3897   56.102   -59.6552   127.381  -2.2557    62.489   14.530  7.3472  13.515  6.4990  1.015015       9.809087 
1 1 1 -24 -37 43 o 15.575  7.1082  44.044     59.665   186.132    135.064  9.5917     66.507   18.829  9.1722  14.146  6.7771  4.682587       11.40428 
1 1 1 -24 -37 44 o 14.579  6.8046  25.967     59.302   77.595     135.757  13.793     65.924   16.617  8.2912  14.263  6.8095  2.354577       10.72908 
1 1 1 -24 -37 45 o 11.716  5.7396  -36.1928   55.095   -61.2721   129.753  -30.6766   60.853   14.461  7.3232  12.341  6.0428  2.119728       9.494485 
1 1 1 -24 -37 46 o 15.247  6.9636  41.180     57.396   40.753     137.403  41.270     63.172   15.874  7.9792  15.316  7.1062  0.5581856      10.68487 
1 1 1 -24 -37 47 o 26.744  9.1574  206.462    71.539   405.749    191.197  174.021    77.142   19.807  9.8759  22.582  9.1170  -2.774725      13.44077 
1 1 1 -24 -37 48 o 11.484  5.7588  -80.0507   69.340   -195.6819  135.315  -38.8753   80.747   ?       ?       13.053  6.4937  0.000000       6.493695 
1 1 1 -24 -37 49 o 15.749  7.5583  60.090     83.549   172.925    167.808  22.901     96.338   16.899  8.5343  14.787  7.3101  2.111318       11.23708 
1 1 1 -24 -37 50 o 11.800  5.9230  -71.4459   74.242   60.993     156.802  -109.7154  84.289   15.446  7.8453  11.676  5.9119  3.769729       9.823361 
1 1 1 -24 -37 51 o 13.308  6.3784  13.177     59.052   -46.5559   144.551  25.143     64.697   ?       ?       13.946  6.6818  0.000000       6.681827 
1 1 1 -24 -36 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -36 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -36 10 o 13.823  6.4330  21.140     52.381   0.0000     0.0000   21.140     52.381   ?       ?       13.823  6.4330  0.000000       6.432984 
1 1 1 -24 -36 11 o 19.669  7.3416  89.923     47.054   0.0000     0.0000   89.923     47.054   ?       ?       19.669  7.3416  0.000000       7.341557 
1 1 1 -24 -36 12 o 15.609  6.7467  46.506     46.814   0.0000     0.0000   46.506     46.814   ?       ?       15.609  6.7467  0.000000       6.746706 
1 1 1 -24 -36 13 o 27.878  8.2651  180.740    59.910   0.0000     0.0000   180.740    59.910   ?       ?       27.878  8.2651  0.000000       8.265062 
1 1 1 -24 -36 14 o 44.389  12.274  683.421    136.626  0.0000     0.0000   683.421    136.626  ?       ?       44.389  12.274  0.000000       12.27373 
1 1 1 -24 -36 15 o 16.390  7.4555  56.414     64.946   0.0000     0.0000   56.414     64.946   ?       ?       16.390  7.4555  0.000000       7.455492 
1 1 1 -24 -36 16 o 12.871  6.1108  -3.5459    51.601   0.0000     0.0000   -3.5459    51.601   ?       ?       12.871  6.1108  0.000000       6.110773 
1 1 1 -24 -36 17 o 37.639  7.6692  283.532    67.663   534.134    147.653  216.915    76.127   30.322  12.473  27.534  9.4461  2.787403       15.64612 
1 1 1 -24 -36 18 o 11.606  5.7530  -59.8772   61.152   -98.9920   119.723  -46.0700   71.131   13.916  7.0459  12.707  6.2815  1.209272       9.439402 
1 1 1 -24 -36 19 o 18.936  8.2320  101.825    70.504   113.867    136.930  97.481     82.244   17.501  8.6631  18.127  8.3004  -0.6255665     11.99771 
1 1 1 -24 -36 20 o 16.188  7.9372  47.576     106.093  -261.6830  199.965  168.734    125.161  ?       ?       18.985  9.1461  0.000000       9.146060 
1 1 1 -24 -36 21 o 11.767  5.9740  -155.7305  90.170   -26.0640   169.321  -207.0613  106.533  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -36 22 o 16.682  7.5881  62.289     67.279   87.146     197.023  59.008     71.582   ?       ?       16.482  7.6180  0.000000       7.617953 
1 1 1 -24 -36 23 o 15.350  7.0833  37.670     61.513   114.177    117.477  8.7698     72.203   17.763  8.6304  14.419  6.9467  3.343618       11.07884 
1 1 1 -24 -36 24 o 14.834  6.8942  28.436     59.837   154.120    116.254  -16.8617   69.792   18.905  9.0304  13.453  6.5623  5.451118       11.16299 
1 1 1 -24 -36 25 o 10.901  5.4273  -71.2468   56.865   -212.3996  107.483  -16.3801   67.011   ?       ?       13.320  6.4824  0.000000       6.482392 
1 1 1 -24 -36 26 o 17.786  7.8731  81.139     67.189   65.887     119.919  88.117     81.117   16.637  8.2116  17.707  8.1578  -1.070278      11.57492 
1 1 1 -24 -36 27 o 23.194  8.2052  133.471    57.692   219.238    126.061  110.748    64.885   20.413  9.6500  20.013  8.2545  0.4007683      12.69878 
1 1 1 -24 -36 28 o 30.861  8.0226  204.956    60.632   302.753    127.023  176.100    69.000   23.333  10.539  25.218  8.9678  -1.884871      13.83771 
1 1 1 -24 -36 29 o 93.359  5.6334  1434.43    127.014  1011.10    188.464  1786.72    171.924  42.257  14.842  95.055  7.5154  -52.79841      16.63607 
1 1 1 -24 -36 30 o 17.240  7.3013  65.506     52.825   -65.0621   139.689  87.294     57.063   14.850  7.5286  18.807  7.7472  -3.957008      10.80271 
1 1 1 -24 -36 31 f 18.828  8.1650  98.507     69.018   102.477    145.268  97.350     78.436   17.239  8.5974  18.282  8.2670  -1.042707      11.92725 
1 1 1 -24 -36 32 o 24.101  9.7071  206.085    87.225   123.256    217.025  222.042    95.258   ?       ?       23.816  9.9269  0.000000       9.926894 
1 1 1 -24 -36 33 o 16.004  7.5300  47.356     75.122   312.022    191.142  -0.9931    81.696   19.430  9.7163  14.473  7.0684  4.957175       12.01534 
1 1 1 -24 -36 34 o 16.790  7.4500  61.822     60.506   146.903    181.508  51.185     64.177   17.560  8.8690  16.136  7.3674  1.423361       11.52984 
1 1 1 -24 -36 35 o 11.932  5.7974  -28.4486   53.019   89.375     118.433  -57.9799   59.292   17.209  8.4271  11.504  5.6955  5.705167       10.17122 
1 1 1 -24 -36 36 f 11.687  5.6943  -32.9004   52.123   -29.6681   120.414  -33.6457   57.820   14.944  7.5065  12.145  5.9346  2.799398       9.569087 
1 1 1 -24 -36 37 o 15.357  6.9388  38.942     55.122   0.0203     114.874  50.585     62.828   15.347  7.6525  16.114  7.3311  -0.7674465     10.59743 
1 1 1 -24 -36 38 o 15.800  7.4362  42.285     73.355   76.600     116.007  19.424     94.689   16.954  8.3102  15.402  7.5408  1.551529       11.22155 
1 1 1 -24 -36 39 o 13.250  6.5969  -54.6688   84.038   265.466    224.300  -106.9467  90.641   18.299  9.3028  12.590  6.3479  5.708303       11.26227 
1 1 1 -24 -36 40 o 16.395  7.9159  53.694     95.024   -334.2847  218.942  143.739    105.477  ?       ?       19.174  8.9899  0.000000       8.989949 
1 1 1 -24 -36 41 o 19.967  8.0833  103.567    60.820   131.311    133.634  96.318     68.305   18.041  8.8585  18.834  8.1451  -0.7931385     12.03396 
1 1 1 -24 -36 42 o 10.742  5.3260  -63.6025   52.544   12.141     122.447  -80.6977   58.172   15.780  7.8738  10.828  5.4068  4.952024       9.551440 
1 1 1 -24 -36 43 o 19.311  8.0828  97.724     63.526   192.208    139.937  73.198     71.295   19.296  9.3853  17.381  7.8687  1.914572       12.24749 
1 1 1 -24 -36 44 o 11.047  5.4804  -64.7298   55.947   37.699     130.567  -87.7658   61.919   16.308  8.1360  11.000  5.5053  5.307800       9.823594 
1 1 1 -24 -36 45 o 17.301  7.6107  68.873     61.841   254.581    136.168  20.616     69.412   21.049  9.9738  14.869  7.0676  6.179335       12.22404 
1 1 1 -24 -36 46 o 29.587  8.9147  216.963    69.282   431.116    151.777  160.595    77.868   25.042  11.393  22.346  9.1092  2.696877       14.58724 
1 1 1 -24 -36 47 o 18.355  7.8553  86.435     62.276   102.764    144.316  82.698     69.034   17.197  8.5753  17.793  7.9231  -0.5965710     11.67523 
1 1 1 -24 -36 48 o 11.006  5.4664  -63.9990   56.291   -38.6362   128.538  -70.0174   62.614   14.832  7.4880  11.394  5.6764  3.438144       9.396373 
1 1 1 -24 -36 49 o 16.240  7.7615  60.573     86.116   196.240    181.887  21.375     97.768   17.668  8.9182  15.205  7.4878  2.462680       11.64476 
1 1 1 -24 -36 50 o 11.849  5.9535  -86.2661   76.006   128.549    171.165  -139.0278  84.828   16.753  8.4762  11.490  5.8292  5.263663       10.28715 
1 1 1 -24 -36 51 f 13.544  6.4891  8.8848     60.997   160.843    134.270  -30.6303   68.470   17.473  8.6364  12.591  6.2129  4.882257       10.63896 
1 1 1 -24 -36 52 o 13.599  6.5087  14.445     61.011   162.867    141.434  -19.4888   67.627   16.954  8.4600  12.716  6.2552  4.238573       10.52131 
1 1 1 -24 -35 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -35 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -35 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -35 9  o 9.2436  4.3568  -13.4517   25.350   0.0000     0.0000   -13.4517   25.350   ?       ?       9.2436  4.3568  0.000000       4.356822 
1 1 1 -24 -35 10 o 10.038  4.7350  -13.5541   30.057   0.0000     0.0000   -13.5541   30.057   ?       ?       10.038  4.7350  0.000000       4.735024 
1 1 1 -24 -35 11 o 8.8935  4.4181  -60.5065   36.851   0.0000     0.0000   -60.5065   36.851   ?       ?       8.8935  4.4181  0.000000       4.418137 
1 1 1 -24 -35 12 o 12.578  5.8088  4.1982     41.486   0.0000     0.0000   4.1982     41.486   ?       ?       12.578  5.8088  0.000000       5.808805 
1 1 1 -24 -35 13 o 55.049  6.3646  527.160    83.446   0.0000     0.0000   527.160    83.446   ?       ?       55.049  6.3646  0.000000       6.364575 
1 1 1 -24 -35 14 o 18.904  8.1251  93.367     67.147   0.0000     0.0000   93.367     67.147   ?       ?       18.904  8.1251  0.000000       8.125124 
1 1 1 -24 -35 15 o 9.8344  4.9020  -74.5274   46.961   0.0000     0.0000   -74.5274   46.961   ?       ?       9.8344  4.9020  0.000000       4.902001 
1 1 1 -24 -35 16 o 16.835  7.2533  58.153     53.761   51.517     179.588  58.806     56.345   16.820  8.5282  16.842  7.3401  -0.2197266E-01 11.25199 
1 1 1 -24 -35 17 o 15.916  7.1270  45.304     56.709   -33.0588   128.301  64.331     63.220   15.234  7.6642  17.088  7.5971  -1.854182      10.79152 
1 1 1 -24 -35 18 o 17.829  7.8587  77.439     66.249   3.2458     131.979  102.430    76.598   15.843  7.9444  18.894  8.3830  -3.051243      11.54940 
1 1 1 -24 -35 19 o 12.542  6.1327  -33.8671   62.025   -175.3111  129.234  8.4649     70.700   ?       ?       14.518  6.9638  0.000000       6.963796 
1 1 1 -24 -35 20 o 12.887  6.4098  -60.9604   78.505   -2.9776    111.498  -117.9653  110.554  15.386  7.6505  13.451  6.8060  1.935442       10.23972 
1 1 1 -24 -35 21 o 19.938  9.3073  166.110    111.015  330.382    200.070  93.031     133.443  19.789  9.9024  17.424  8.6115  2.365137       13.12308 
1 1 1 -24 -35 22 o 17.844  8.5560  97.897     106.509  19.672     190.852  133.279    128.356  ?       ?       18.379  8.9504  0.000000       8.950427 
1 1 1 -24 -35 23 o 13.640  6.5064  -1.0434    59.902   -36.9301   110.548  13.873     71.271   14.756  7.3806  14.767  7.0585  -0.1058292E-01 10.21258 
1 1 1 -24 -35 24 o 18.593  8.0182  88.042     65.818   109.690    119.782  78.679     78.776   17.997  8.7373  17.633  8.0923  0.3639717      11.90911 
1 1 1 -24 -35 25 o 20.508  8.3610  113.247    65.614   112.564    118.646  113.548    78.753   18.109  8.7688  19.489  8.5805  -1.379551      12.26849 
1 1 1 -24 -35 26 o 17.951  7.4539  71.345     53.417   309.764    120.893  13.504     59.546   25.299  10.889  14.296  6.7193  11.00295       12.79489 
1 1 1 -24 -35 27 o 13.313  6.1880  6.9674     48.239   -79.5874   109.908  27.619     53.686   14.055  7.0740  14.806  6.7517  -0.7513170     9.778944 
1 1 1 -24 -35 28 o 17.738  7.4677  69.248     54.734   218.240    140.053  42.389     59.463   20.211  9.7216  15.833  7.1754  4.377413       12.08291 
1 1 1 -24 -35 29 o 12.810  6.0970  -8.4535    51.994   11.420     134.896  -11.9210   56.348   16.111  8.0721  12.986  6.2256  3.124823       10.19394 
1 1 1 -24 -35 30 o 22.185  8.2457  122.233    59.234   316.143    145.658  83.812     64.837   22.633  10.597  18.412  7.9492  4.220295       13.24676 
1 1 1 -24 -35 31 o 19.571  7.8831  92.667     57.529   209.573    142.129  69.761     62.913   19.924  9.6350  17.534  7.6956  2.390581       12.33109 
1 1 1 -24 -35 32 o 17.106  7.8657  65.397     74.911   120.590    174.480  52.923     82.945   17.723  8.9193  16.562  7.8287  1.161491       11.86770 
1 1 1 -24 -35 33 o 14.424  6.9505  2.0114     72.368   146.751    173.979  -28.2711   79.579   18.063  9.0666  13.825  6.7980  4.238000       11.33211 
1 1 1 -24 -35 34 o 18.726  8.4721  102.004    82.491   302.045    186.706  53.482     91.953   20.004  9.9387  16.620  7.9637  3.384007       12.73572 
1 1 1 -24 -35 35 o 14.876  6.8619  26.281     57.644   60.177     135.376  18.775     63.707   16.917  8.4147  14.730  6.9317  2.187702       10.90214 
1 1 1 -24 -35 36 o 20.299  8.0681  103.055    59.440   189.948    115.236  71.556     69.382   20.702  9.6025  17.483  7.8521  3.218904       12.40421 
1 1 1 -24 -35 37 o 24.081  8.5383  146.518    62.505   270.647    129.748  109.005    71.327   22.502  10.349  19.725  8.4233  2.777111       13.34340 
1 1 1 -24 -35 38 o 16.812  7.4394  58.372     59.934   248.246    130.993  8.1009     67.402   21.605  10.094  14.420  6.8850  7.184261       12.21833 
1 1 1 -24 -35 39 o 11.756  5.9206  -114.1196  77.598   -352.2016  200.333  -72.0932   84.168   ?       ?       13.012  6.4980  0.000000       6.498044 
1 1 1 -24 -35 40 o 15.350  7.5253  8.2332     95.267   384.585    230.981  -68.9118   104.576  19.714  9.9621  14.034  7.0420  5.680048       12.19977 
1 1 1 -24 -35 41 o 19.298  8.1800  97.616     66.393   32.358     224.763  103.855    69.494   ?       ?       19.531  8.3267  0.000000       8.326730 
1 1 1 -24 -35 42 o 12.322  5.9738  -27.0017   55.459   -176.0796  129.289  6.6138     61.394   ?       ?       14.101  6.6862  0.000000       6.686161 
1 1 1 -24 -35 43 o 16.295  7.3181  49.261     60.253   -16.6144   132.395  66.469     67.666   15.689  7.8795  17.281  7.7586  -1.592169      11.05815 
1 1 1 -24 -35 44 o 15.761  7.1882  39.479     60.879   114.497    143.367  22.976     67.243   17.994  8.8994  15.111  7.1142  2.883345       11.39350 
1 1 1 -24 -35 45 o 13.774  6.7748  -31.6093   79.245   -121.4676  139.294  11.390     96.357   14.523  7.3782  15.546  7.6102  -1.022847      10.59970 
1 1 1 -24 -35 46 o 16.736  7.4561  56.111     61.216   186.117    150.187  30.210     67.037   19.237  9.4345  15.417  7.2089  3.819556       11.87345 
1 1 1 -24 -35 47 o 12.549  6.0891  -26.3320   57.954   54.380     128.129  -47.0914   64.981   16.819  8.3353  12.406  6.1084  4.413193       10.33394 
1 1 1 -24 -35 48 o 13.373  6.3837  -4.3994    57.878   153.891    138.581  -37.8429   63.699   18.640  9.1252  12.553  6.1540  6.086997       11.00641 
1 1 1 -24 -35 49 o 16.971  7.9104  67.411     79.714   -6.6025    178.786  85.775     89.055   ?       ?       17.602  8.2553  0.000000       8.255277 
1 1 1 -24 -35 50 o 20.060  9.0390  150.711    92.811   112.090    190.087  162.800    106.350  17.076  8.6698  19.681  9.1613  -2.604456      12.61327 
1 1 1 -24 -35 51 o 14.879  6.9578  30.771     62.467   111.939    167.682  17.692     67.312   16.920  8.5432  14.448  6.8931  2.472164       10.97734 
1 1 1 -24 -35 52 o 14.480  6.8351  25.715     62.812   -87.3888   146.214  51.312     69.558   ?       ?       15.726  7.3501  0.000000       7.350149 
1 1 1 -24 -34 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -34 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -34 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -34 8  o 14.150  5.6837  30.671     29.817   0.0000     0.0000   30.671     29.817   ?       ?       14.150  5.6837  0.000000       5.683735 
1 1 1 -24 -34 9  o 12.755  5.3169  19.872     27.330   0.0000     0.0000   19.872     27.330   ?       ?       12.755  5.3169  0.000000       5.316943 
1 1 1 -24 -34 10 o 28.061  9.2645  205.961    73.275   0.0000     0.0000   205.961    73.275   ?       ?       28.061  9.2645  0.000000       9.264510 
1 1 1 -24 -34 11 o 18.240  7.6659  74.768     57.519   0.0000     0.0000   74.768     57.519   ?       ?       18.240  7.6659  0.000000       7.665909 
1 1 1 -24 -34 12 o 43.450  7.5473  360.496    76.683   0.0000     0.0000   360.496    76.683   ?       ?       43.450  7.5473  0.000000       7.547256 
1 1 1 -24 -34 13 o 11.401  5.4270  -17.6558   41.215   0.0000     0.0000   -17.6558   41.215   ?       ?       11.401  5.4270  0.000000       5.427007 
1 1 1 -24 -34 14 o 13.642  6.0295  19.803     39.257   -145.6862  117.026  40.787     41.672   13.508  6.8526  15.572  6.5338  -2.063602      9.468243 
1 1 1 -24 -34 15 o 12.174  5.9736  -44.7719   60.448   -29.6067   153.834  -47.5410   65.735   15.948  8.0652  12.506  6.1549  3.441723       10.14545 
1 1 1 -24 -34 16 f 16.116  7.5077  42.097     71.649   -102.6540  165.126  75.672     79.525   ?       ?       17.682  8.1206  0.000000       8.120643 
1 1 1 -24 -34 17 o 10.971  5.3903  -50.2982   49.739   -150.7996  172.159  -41.1452   51.955   ?       ?       11.524  5.6300  0.000000       5.630022 
1 1 1 -24 -34 18 o 24.242  8.7156  150.956    65.342   -71.0898   189.330  180.980    69.620   ?       ?       26.404  9.0338  0.000000       9.033815 
1 1 1 -24 -34 19 o 14.125  6.6066  10.982     56.371   31.126     114.605  4.5528     64.745   16.403  8.0834  14.273  6.7961  2.130320       10.56073 
1 1 1 -24 -34 20 o 11.807  5.7872  -45.3263   56.253   -115.6279  105.881  -17.6794   66.399   13.460  6.7954  13.534  6.5549  -0.7377529E-01 9.441636 
1 1 1 -24 -34 21 o 16.151  7.9357  22.250     107.840  -220.5067  198.199  124.340    128.531  ?       ?       18.581  9.0278  0.000000       9.027799 
1 1 1 -24 -34 22 o 16.091  7.8741  22.258     102.879  -108.8071  181.905  83.898     124.747  ?       ?       17.703  8.6646  0.000000       8.664640 
1 1 1 -24 -34 23 o 18.740  8.2024  88.449     71.034   90.820     191.736  88.072     76.476   17.679  8.9474  18.528  8.2882  -0.8493576     12.19632 
1 1 1 -24 -34 24 o 11.965  5.8756  -48.8931   58.821   -2.7535    108.990  -67.8549   69.870   15.694  7.7614  12.331  6.1186  3.362907       9.883157 
1 1 1 -24 -34 25 o 16.033  6.9274  43.871     49.318   55.466     109.302  40.907     55.264   17.109  8.3154  15.912  7.0869  1.196787       10.92562 
1 1 1 -24 -34 26 o 13.924  6.3479  15.084     47.424   -115.3640  110.108  44.795     52.548   13.751  6.9410  16.157  7.0635  -2.405138      9.903060 
1 1 1 -24 -34 27 o 14.334  6.5444  18.473     50.634   -8.2675    128.318  23.404     55.105   16.053  8.0179  14.849  6.7975  1.204551       10.51155 
1 1 1 -24 -34 28 o 10.568  5.2062  -56.3835   47.434   -201.7164  128.043  -33.2665   51.067   ?       ?       11.817  5.7295  0.000000       5.729510 
1 1 1 -24 -34 29 o 19.035  7.7665  81.525     56.668   143.381    139.583  69.317     62.009   19.070  9.2971  17.876  7.7457  1.193279       12.10094 
1 1 1 -24 -34 30 o 13.247  6.2749  -5.8969    53.815   72.340     127.977  -22.7030   59.314   17.617  8.6540  12.957  6.2555  4.659750       10.67810 
1 1 1 -24 -34 31 o 19.622  7.9510  90.019     58.904   227.096    129.243  54.080     66.177   21.832  10.142  16.879  7.6166  4.953499       12.68328 
1 1 1 -24 -34 32 o 14.841  6.8086  22.752     55.696   9.6320     132.878  25.548     61.345   16.436  8.2013  15.222  7.0416  1.213982       10.80948 
1 1 1 -24 -34 33 o 19.310  8.3423  96.187     71.503   -127.8797  166.385  146.940    79.188   ?       ?       22.183  9.1308  0.000000       9.130788 
1 1 1 -24 -34 34 o 18.666  8.5440  95.246     87.021   100.897    157.276  92.752     104.470  18.000  8.9718  18.236  8.6687  -0.2365322     12.47556 
1 1 1 -24 -34 35 o 18.829  8.0987  86.439     66.791   -5.2141    150.997  108.734    74.473   16.394  8.2564  19.911  8.5574  -3.517252      11.89106 
1 1 1 -24 -34 36 o 14.203  6.6029  12.678     54.954   -95.3235   120.006  41.335     61.816   14.397  7.2644  16.035  7.2860  -1.637896      10.28875 
1 1 1 -24 -34 37 o 22.528  8.3526  124.397    60.706   20.568     126.374  155.544    69.215   16.445  8.1715  24.181  8.9280  -7.736128      12.10302 
1 1 1 -24 -34 38 o 19.113  7.8467  85.003     58.294   38.515     126.174  97.620     65.729   16.771  8.3040  19.635  8.2204  -2.864328      11.68463 
1 1 1 -24 -34 39 o 17.410  8.2366  68.848     92.153   -52.1198   234.743  90.887     100.197  ?       ?       18.121  8.5774  0.000000       8.577419 
1 1 1 -24 -34 40 o 17.624  8.4010  76.381     99.498   -173.2365  250.557  123.113    108.412  ?       ?       19.037  8.9840  0.000000       8.984049 
1 1 1 -24 -34 41 o 12.214  6.1480  -116.0434  83.163   -112.4999  246.684  -116.4977  88.334   ?       ?       12.536  6.3139  0.000000       6.313914 
1 1 1 -24 -34 42 o 13.551  6.4465  -4.1882    57.982   -124.8216  132.686  24.285     64.463   14.402  7.3051  15.186  7.0903  -0.7841845     10.18022 
1 1 1 -24 -34 43 o 16.677  7.3596  52.661     58.263   167.492    133.088  25.436     64.803   19.636  9.4528  15.267  7.1215  4.369036       11.83515 
1 1 1 -24 -34 44 o 15.275  7.0751  27.089     62.224   117.077    164.018  11.961     67.251   18.137  9.0593  14.773  7.0028  3.363345       11.45033 
1 1 1 -24 -34 45 o 13.937  6.8443  -32.0502   79.883   -151.2244  138.194  27.754     97.896   14.334  7.2889  16.227  7.8829  -1.892732      10.73627 
1 1 1 -24 -34 46 o 26.782  9.2164  187.682    72.496   387.791    158.738  134.944    81.491   24.494  11.329  21.132  9.0131  3.362457       14.47724 
1 1 1 -24 -34 47 o 19.362  8.1046  91.521     63.875   193.697    135.675  62.425     72.401   20.346  9.7290  17.282  7.8650  3.064064       12.51050 
1 1 1 -24 -34 48 o 11.468  5.6404  -52.6084   54.891   -92.5087   126.772  -43.4019   60.895   14.651  7.4015  12.310  6.0310  2.341617       9.547521 
1 1 1 -24 -34 49 o 17.864  7.8091  72.668     64.210   63.012     135.073  75.487     72.984   17.196  8.5284  17.834  8.0278  -0.6377087     11.71236 
1 1 1 -24 -34 50 o 14.790  7.1907  0.4905     81.919   -2.1992    174.540  1.2503     92.772   16.393  8.3215  15.161  7.4313  1.232446       11.15668 
1 1 1 -24 -34 51 o 12.476  6.1958  -61.3545   72.225   40.361     166.070  -85.0812   80.208   16.610  8.3985  12.460  6.2403  4.150019       10.46309 
1 1 1 -24 -34 52 o 19.198  8.0557  98.482     63.349   88.741     147.767  100.675    70.120   16.980  8.4989  18.874  8.2073  -1.893862      11.81484 
1 1 1 -24 -34 53 o 17.610  7.8498  83.311     67.964   228.310    153.551  47.983     75.793   18.836  9.2963  15.773  7.4643  3.063302       11.92208 
1 1 1 -24 -33 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -33 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -33 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -33 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -33 7  o 13.193  5.0242  24.897     22.288   0.0000     0.0000   24.897     22.288   ?       ?       13.193  5.0242  0.000000       5.024188 
1 1 1 -24 -33 8  o 11.283  4.8508  9.5524     23.945   0.0000     0.0000   9.5524     23.945   ?       ?       11.283  4.8508  0.000000       4.850827 
1 1 1 -24 -33 9  o 13.511  5.2344  26.057     24.478   0.0000     0.0000   26.057     24.478   ?       ?       13.511  5.2344  0.000000       5.234375 
1 1 1 -24 -33 10 o 12.553  5.9750  -14.3093   49.958   0.0000     0.0000   -14.3093   49.958   ?       ?       12.553  5.9750  0.000000       5.975023 
1 1 1 -24 -33 11 o 8.8699  4.4252  -72.3339   38.625   0.0000     0.0000   -72.3339   38.625   ?       ?       8.8699  4.4252  0.000000       4.425177 
1 1 1 -24 -33 12 o 17.443  7.5935  62.648     60.157   0.0000     0.0000   62.648     60.157   ?       ?       17.443  7.5935  0.000000       7.593543 
1 1 1 -24 -33 13 f 20.203  7.4632  86.672     48.378   -2.0499    126.537  101.861    52.356   16.133  8.0425  21.432  7.7877  -5.298786      11.19512 
1 1 1 -24 -33 14 o 12.102  5.7107  -10.8756   43.792   -35.1073   113.224  -6.6130    47.488   15.220  7.5907  12.682  5.9732  2.538126       9.659029 
1 1 1 -24 -33 15 o 23.403  9.2845  161.628    78.578   126.918    175.345  170.350    87.898   18.328  9.1860  22.836  9.5285  -4.507565      13.23543 
1 1 1 -24 -33 16 o 13.067  6.4448  -51.0790   73.355   16.071     153.515  -70.9480   83.506   16.807  8.4466  13.224  6.5827  3.583185       10.70874 
1 1 1 -24 -33 17 o 14.415  6.6249  17.018     53.054   420.373    170.795  -26.0584   55.815   24.472  11.463  12.561  6.0652  11.91103       12.96874 
1 1 1 -24 -33 18 o 13.357  6.1389  7.3996     45.556   -80.0732   110.747  25.216     49.981   14.409  7.2328  14.782  6.6497  -0.3728323     9.825047 
1 1 1 -24 -33 19 o 13.636  6.3312  5.7385     50.274   -78.0350   105.983  30.062     57.108   14.282  7.1555  15.407  7.0015  -1.125282      10.01114 
1 1 1 -24 -33 20 o 19.861  8.0687  92.300     60.832   148.599    140.382  79.285     67.498   19.430  9.4390  18.570  8.0639  0.8596306      12.41456 
1 1 1 -24 -33 21 o 20.556  9.3641  143.152    102.938  224.884    204.759  115.509    119.080  19.606  9.8403  19.055  9.1127  0.5506668      13.41169 
1 1 1 -24 -33 22 o 16.682  8.0808  31.323     101.004  -18.5274   189.055  51.236     119.486  17.023  8.6431  17.414  8.5143  -0.3916206     12.13244 
1 1 1 -24 -33 23 o 22.920  9.6462  169.092    91.279   -131.4970  197.519  250.719    102.929  ?       ?       26.669  10.612  0.000000       10.61164 
1 1 1 -24 -33 24 f 12.904  6.0352  -4.3663    47.030   86.981     107.388  -26.0436   52.313   18.494  8.7906  12.361  5.9448  6.132738       10.61200 
1 1 1 -24 -33 25 o 15.787  6.9291  36.492     51.008   63.705     121.812  30.705     56.170   17.859  8.7019  15.575  7.0238  2.283453       11.18292 
1 1 1 -24 -33 26 o 19.285  7.7774  79.693     56.072   223.289    134.822  49.660     61.658   22.152  10.313  16.914  7.5121  5.237837       12.75880 
1 1 1 -24 -33 27 f 16.089  6.9889  40.241     50.741   -18.2221   128.864  50.968     55.200   16.314  8.1301  16.963  7.3291  -0.6489601     10.94593 
1 1 1 -24 -33 28 o 15.175  6.8340  25.931     52.963   76.146     132.488  16.380     57.780   18.235  8.9262  14.857  6.8590  3.378469       11.25708 
1 1 1 -24 -33 29 o 11.746  5.6671  -32.1156   48.500   -110.8453  127.912  -18.8963   52.414   14.846  7.4920  12.720  6.0726  2.126474       9.643992 
1 1 1 -24 -33 30 o 13.718  6.4013  1.5606     52.437   81.478     124.170  -15.7850   57.849   18.368  8.9124  13.320  6.3647  5.048208       10.95172 
1 1 1 -24 -33 31 o 20.842  8.0851  98.180     58.461   -11.3499   133.502  124.167    65.027   16.526  8.2418  22.602  8.5880  -6.076624      11.90300 
1 1 1 -24 -33 32 o 12.974  6.2227  -20.8891   56.441   -159.8932  127.260  13.149     62.973   14.149  7.1743  14.940  6.9862  -0.7914448     10.01389 
1 1 1 -24 -33 33 f 15.036  7.2400  -2.3323    78.182   -65.8925   135.534  29.364     95.710   15.669  7.8825  16.628  8.0075  -0.9583254     11.23626 
1 1 1 -24 -33 34 o 22.043  9.5375  157.253    93.751   164.024    153.822  153.250    118.252  19.758  9.6602  20.468  9.5718  -0.7096214     13.59920 
1 1 1 -24 -33 35 o 19.762  8.9157  111.499    90.622   250.006    160.743  46.966     109.721  21.371  10.313  17.272  8.3801  4.098970       13.28816 
1 1 1 -24 -33 36 o 20.648  8.3791  104.612    65.522   146.279    128.799  90.064     76.106   19.795  9.4693  19.079  8.4158  0.7158203      12.66858 
1 1 1 -24 -33 37 o 19.371  7.9949  85.751     60.920   238.526    132.682  44.940     68.576   22.459  10.377  16.596  7.5919  5.863430       12.85804 
1 1 1 -24 -33 38 o 20.114  8.1281  95.494     61.375   81.411     134.436  99.202     68.983   18.031  8.8599  19.902  8.3815  -1.870960      12.19620 
1 1 1 -24 -33 39 o 14.111  6.5801  8.0552     55.245   -12.6112   127.370  12.844     61.312   16.122  8.0419  14.692  6.8775  1.429914       10.58165 
1 1 1 -24 -33 40 o 19.657  9.1405  126.842    105.413  96.956     278.983  131.819    113.854  ?       ?       19.567  9.2257  0.000000       9.225713 
1 1 1 -24 -33 41 o 11.575  5.8495  -144.2798  79.741   -589.1426  242.022  -90.1063   84.457   ?       ?       12.921  6.4610  0.000000       6.461030 
1 1 1 -24 -33 42 o 34.491  8.6956  257.315    72.754   480.823    153.721  192.796    82.590   29.343  12.443  25.468  9.6781  3.875811       15.76354 
1 1 1 -24 -33 43 o 16.866  7.4420  52.839     59.562   -12.2531   136.953  68.023     66.145   16.258  8.1442  17.805  7.8503  -1.546942      11.31173 
1 1 1 -24 -33 44 o 15.983  7.2250  38.533     59.852   -41.3272   131.632  59.347     67.201   15.710  7.8856  17.283  7.7474  -1.572783      11.05464 
1 1 1 -24 -33 45 o 21.032  8.3984  110.220    64.681   71.175     145.932  119.766    72.156   17.761  8.8182  21.117  8.7068  -3.355898      12.39225 
1 1 1 -24 -33 46 o 12.870  6.2260  -27.4586   59.477   5.9239     139.840  -34.8312   65.717   16.669  8.3321  13.093  6.3825  3.576070       10.49566 
1 1 1 -24 -33 47 o 19.427  8.1867  90.103     65.884   181.886    145.484  66.424     73.896   20.142  9.7423  17.733  8.0212  2.408558       12.61947 
1 1 1 -24 -33 48 o 12.159  5.9182  -38.3537   55.898   -27.6699   135.095  -40.5607   61.401   16.064  8.0529  12.567  6.1357  3.496318       10.12399 
1 1 1 -24 -33 49 o 14.233  6.6768  6.9848     58.314   -358.4236  146.254  76.056     63.587   ?       ?       18.428  7.9133  0.000000       7.913278 
1 1 1 -24 -33 50 o 17.207  8.1146  58.732     88.142   241.956    181.864  2.4800     100.768  19.983  9.9082  15.706  7.7077  4.277944       12.55315 
1 1 1 -24 -33 51 o 24.501  10.170  223.161    99.369   79.359     197.049  272.201    115.072  17.563  8.9078  25.017  10.691  -7.453691      13.91591 
1 1 1 -24 -33 52 f 15.466  7.1743  32.512     64.333   -68.9171   154.500  53.787     70.759   15.448  7.8404  16.618  7.6424  -1.170141      10.94886 
1 1 1 -24 -33 53 o 14.689  6.8600  22.669     60.410   124.390    155.749  4.6558     65.541   17.695  8.8372  14.112  6.7518  3.583391       11.12130 
1 1 1 -24 -33 54 o 15.128  7.2761  26.383     78.407   88.311     152.093  3.9677     91.503   16.800  8.4386  14.782  7.2727  2.017773       11.14006 
1 1 1 -24 -32 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -32 7  o 7.2665  3.1135  1.2160     9.8043   0.0000     0.0000   1.2160     9.8043   ?       ?       7.2665  3.1135  0.000000       3.113467 
1 1 1 -24 -32 8  o 12.558  5.3301  15.778     28.252   0.0000     0.0000   15.778     28.252   ?       ?       12.558  5.3301  0.000000       5.330120 
1 1 1 -24 -32 9  o ?       ?       -316.4885  8.4892   0.0000     0.0000   -316.4885  8.4892   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -32 10 f 49.130  7.1276  433.970    82.488   0.0000     0.0000   433.970    82.488   ?       ?       49.130  7.1276  0.000000       7.127641 
1 1 1 -24 -32 11 o 20.312  8.1976  98.300     62.345   0.0000     0.0000   98.300     62.345   ?       ?       20.312  8.1976  0.000000       8.197604 
1 1 1 -24 -32 12 o 13.538  6.2482  6.3722     47.891   109.118    132.827  -8.9803    51.344   18.694  9.1042  12.995  6.1479  5.699085       10.98552 
1 1 1 -24 -32 13 o 22.278  9.8021  178.797    102.620  -261.3483  167.385  443.862    129.896  ?       ?       33.546  12.255  0.000000       12.25490 
1 1 1 -24 -32 14 o 12.610  5.9668  -11.8093   48.415   26.007     116.103  -19.7692   53.267   16.791  8.2471  12.686  6.0742  4.105070       10.24261 
1 1 1 -24 -32 15 o 14.154  6.8057  -11.4663   68.466   6.2740     115.024  -21.2008   85.205   16.367  8.0717  14.725  7.1974  1.641445       10.81454 
1 1 1 -24 -32 16 o 15.943  7.5940  20.581     81.006   -63.1719   166.785  46.437     92.670   16.363  8.2883  17.116  8.1445  -0.7524700     11.62022 
1 1 1 -24 -32 17 o 12.224  5.7935  -15.7685   45.987   199.579    139.387  -42.0726   48.715   21.193  10.056  11.356  5.5266  9.837152       11.47484 
1 1 1 -24 -32 18 o 21.937  7.9581  104.448    54.638   -1.3424    141.850  122.878    59.206   16.894  8.4365  23.318  8.3055  -6.424580      11.83869 
1 1 1 -24 -32 19 o 23.123  7.9385  113.299    53.771   228.771    115.531  81.369     60.752   24.193  10.528  19.329  7.9812  4.864864       13.21109 
1 1 1 -24 -32 20 o 27.475  8.1843  156.560    58.641   205.788    117.246  140.137    67.720   23.088  10.300  24.013  8.8369  -0.9246712     13.57118 
1 1 1 -24 -32 21 o 28.846  10.205  233.635    89.237   94.771     155.243  302.160    109.054  18.890  9.3275  30.104  11.188  -11.21417      14.56648 
1 1 1 -24 -32 22 o 21.782  9.3152  134.502    87.460   -113.4456  197.732  194.810    97.518   ?       ?       24.658  10.139  0.000000       10.13893 
1 1 1 -24 -32 23 o 21.019  9.4273  131.090    99.639   0.0000     0.0000   131.090    99.639   ?       ?       21.019  9.4273  0.000000       9.427344 
1 1 1 -24 -32 24 o 10.264  5.0062  -46.1399   40.613   -174.1781  121.027  -29.8926   43.113   13.964  7.0716  11.326  5.4341  2.637707       8.918364 
1 1 1 -24 -32 25 o 14.046  6.4300  7.9847     49.309   -7.9288    129.408  10.688     53.333   16.953  8.3971  14.506  6.6576  2.447508       10.71609 
1 1 1 -24 -32 26 o 12.033  5.7387  -24.2133   46.550   -75.9574   124.958  -15.8754   50.161   15.627  7.8208  12.824  6.0700  2.802732       9.899966 
1 1 1 -24 -32 27 f 11.676  5.6603  -40.9609   49.787   50.521     129.083  -56.9486   53.963   18.230  8.8993  11.557  5.6654  6.673127       10.54960 
1 1 1 -24 -32 28 o 14.033  6.4982  3.0711     52.449   -93.6637   185.032  11.523     54.692   16.958  8.6043  14.673  6.7373  2.285071       10.92821 
1 1 1 -24 -32 29 o 14.249  6.6020  4.5017     54.250   81.054     201.585  -1.4755    56.328   19.020  9.5741  14.093  6.5956  4.926945       11.62612 
1 1 1 -24 -32 30 o 15.374  6.9507  22.731     55.415   -25.9434   124.731  34.701     61.854   16.524  8.1950  16.377  7.3795  0.1466351      11.02794 
1 1 1 -24 -32 31 o 21.050  8.3966  100.176    64.589   -88.3593   134.012  157.222    73.716   15.734  7.9052  25.170  9.2263  -9.435682      12.14978 
1 1 1 -24 -32 32 o 18.288  7.8102  64.355     61.330   129.452    127.310  44.683     69.986   20.243  9.6072  17.121  7.7691  3.122139       12.35544 
1 1 1 -24 -32 33 o 14.266  6.9068  -25.6790   73.527   -101.7311  116.778  24.274     94.642   14.814  7.4346  16.848  8.0747  -2.033865      10.97603 
1 1 1 -24 -32 34 f 14.526  7.0712  -28.8045   79.872   79.795     144.103  -76.9633   95.961   18.742  9.2018  14.228  7.0785  4.513565       11.60939 
1 1 1 -24 -32 35 o 25.205  10.194  202.010    96.617   200.080    168.488  202.955    117.934  20.803  10.158  23.113  10.319  -2.310102      14.47985 
1 1 1 -24 -32 36 o 23.718  8.4141  126.615    60.706   216.882    133.564  103.112    68.153   22.500  10.402  20.787  8.5034  1.712704       13.43527 
1 1 1 -24 -32 37 f 24.280  8.5066  134.318    61.893   58.276     131.453  155.977    70.156   18.031  8.8398  25.149  9.0321  -7.118319      12.63808 
1 1 1 -24 -32 38 o 12.888  6.1750  -21.8129   55.243   52.729     125.833  -39.6100   61.485   17.806  8.7123  12.754  6.2075  5.051951       10.69748 
1 1 1 -24 -32 39 o 18.533  7.8496  72.045     61.065   127.663    133.989  57.464     68.604   19.508  9.4140  17.499  7.8374  2.008703       12.24943 
1 1 1 -24 -32 40 f 15.159  7.3977  -14.9754   88.985   -76.7099   246.963  -5.7647    95.392   ?       ?       15.656  7.6445  0.000000       7.644520 
1 1 1 -24 -32 41 o 18.752  8.7626  90.313     98.780   335.759    261.672  49.524     106.673  20.147  10.223  17.399  8.3973  2.747547       13.22985 
1 1 1 -24 -32 42 o 16.554  7.9646  28.418     94.131   21.663     260.091  29.436     100.977  ?       ?       16.721  8.0948  0.000000       8.094782 
1 1 1 -24 -32 43 o 44.372  7.4942  363.409    77.813   103.341    162.061  441.328    88.707   18.545  9.2214  48.102  7.8727  -29.55757      12.12491 
1 1 1 -24 -32 44 o 13.647  6.5193  -11.8029   60.609   117.643    142.182  -40.5488   67.002   18.948  9.2692  13.077  6.3899  5.871313       11.25825 
1 1 1 -24 -32 45 f 16.371  7.7976  29.317     85.369   108.559    149.379  -9.1173    104.032  18.712  9.2226  15.781  7.7622  2.930876       12.05444 
1 1 1 -24 -32 46 o 20.078  8.3391  97.179     66.881   145.341    155.855  86.309     74.045   19.384  9.5278  19.026  8.3496  0.3585644      12.66869 
1 1 1 -24 -32 47 o 20.843  8.4438  105.841    66.418   259.462    159.217  73.477     73.080   21.879  10.483  18.331  8.1579  3.548561       13.28306 
1 1 1 -24 -32 48 o 27.953  9.1871  189.959    72.085   165.327    158.008  196.433    81.007   19.857  9.7258  26.720  9.6904  -6.863529      13.72940 
1 1 1 -24 -32 49 o 14.455  6.7248  9.6814     57.172   -280.8885  139.409  68.432     62.686   ?       ?       18.173  7.8310  0.000000       7.830975 
1 1 1 -24 -32 50 o 18.469  8.5404  81.828     90.118   272.144    183.079  20.970     103.529  21.056  10.345  16.524  8.0451  4.532248       13.10489 
1 1 1 -24 -32 51 o 12.288  6.1802  -120.4183  83.038   0.0000     0.0000   -120.4183  83.038   ?       ?       12.288  6.1802  0.000000       6.180236 
1 1 1 -24 -32 52 o 24.894  9.3400  173.843    76.351   57.419     217.487  190.208    81.541   ?       ?       25.382  9.6234  0.000000       9.623398 
1 1 1 -24 -32 53 o 14.065  6.8494  -17.2294   75.142   -51.2696   153.402  -6.4834    86.190   15.772  7.9844  14.868  7.2610  0.9042931      10.79227 
1 1 1 -24 -32 54 o ?       ?       -149.7713  139.161  -149.7713  139.161  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -31 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -31 7  o 6.7530  3.2693  -22.3415   16.474   0.0000     0.0000   -22.3415   16.474   ?       ?       6.7530  3.2693  0.000000       3.269319 
1 1 1 -24 -31 8  o ?       ?       -71.1032   8.6263   0.0000     0.0000   -71.1032   8.6263   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -31 9  o 35.855  10.141  322.733    92.167   0.0000     0.0000   322.733    92.167   ?       ?       35.855  10.141  0.000000       10.14074 
1 1 1 -24 -31 10 o 6.8895  3.4629  -66.3197   25.860   0.0000     0.0000   -66.3197   25.860   ?       ?       6.8895  3.4629  0.000000       3.462932 
1 1 1 -24 -31 11 o 14.372  6.5173  16.591     49.140   -54.3480   113.004  33.134     54.570   15.228  7.5925  15.722  7.0192  -0.4940739     10.33999 
1 1 1 -24 -31 12 o 18.678  7.4756  69.975     51.378   73.389     115.582  69.134     57.356   18.233  8.7851  18.406  7.6901  -0.1737232     11.67542 
1 1 1 -24 -31 13 o 12.132  5.7800  -20.6040   46.967   19.499     106.015  -30.3972   52.389   16.719  8.1404  12.259  5.9089  4.459457       10.05883 
1 1 1 -24 -31 14 o 13.265  6.3529  -19.8922   58.336   64.294     115.333  -48.8341   67.624   18.117  8.7408  12.991  6.3630  5.125871       10.81155 
1 1 1 -24 -31 15 o 19.049  8.0026  76.977     62.636   -49.0023   122.664  121.411    72.849   15.832  7.8964  21.903  8.8538  -6.070878      11.86347 
1 1 1 -24 -31 16 o 14.441  6.8812  -7.9136    66.622   79.894     140.519  -33.3742   75.667   18.735  9.1754  14.125  6.8774  4.609694       11.46676 
1 1 1 -24 -31 17 o 16.602  7.5325  37.217     65.761   67.669     133.104  27.383     75.637   18.568  9.0582  16.433  7.6751  2.134617       11.87260 
1 1 1 -24 -31 18 o 18.461  7.3345  63.377     49.102   121.613    108.036  48.216     55.125   20.536  9.4438  17.126  7.3615  3.409613       11.97397 
1 1 1 -24 -31 19 o 30.790  7.6265  175.164    56.681   260.793    117.627  149.268    64.686   26.806  11.090  26.016  8.7088  0.7898617      14.10085 
1 1 1 -24 -31 20 o 14.693  6.7095  11.954     53.246   -113.2576  125.394  39.498     58.812   15.206  7.6410  16.715  7.3844  -1.509169      10.62609 
1 1 1 -24 -31 21 o 13.508  6.1639  3.5553     44.841   -91.2208   104.365  25.012     49.658   14.650  7.3033  15.357  6.7848  -0.7068405     9.968510 
1 1 1 -24 -31 22 o 19.472  8.7082  80.319     84.369   104.041    192.333  74.667     93.885   19.808  9.8810  19.165  8.8099  0.6429024      13.23813 
1 1 1 -24 -31 23 o 20.906  9.1127  106.182    86.875   149.205    186.622  94.280     98.160   20.616  10.188  20.064  9.1418  0.5515995      13.68846 
1 1 1 -24 -31 24 o 29.290  10.485  233.606    94.477   454.261    204.439  173.685    106.536  26.307  12.391  23.703  10.212  2.604113       16.05679 
1 1 1 -24 -31 25 o 24.786  8.0409  121.587    55.287   38.627     131.681  139.342    60.917   18.527  9.0322  25.995  8.4407  -7.467249      12.36226 
1 1 1 -24 -31 26 o 19.517  7.7505  72.223     54.807   -227.3627  167.001  108.383    58.020   ?       ?       22.961  8.2172  0.000000       8.217203 
1 1 1 -24 -31 27 o 12.337  5.8549  -23.1150   47.285   -29.7175   117.748  -21.8456   51.631   16.683  8.2158  12.880  6.1144  3.802505       10.24131 
1 1 1 -24 -31 28 o 18.064  7.5454  55.701     55.200   -108.0544  129.502  92.059     61.020   15.686  7.8664  21.107  8.2401  -5.420931      11.39204 
1 1 1 -24 -31 29 o 12.436  6.0377  -46.5666   57.213   -117.2502  118.340  -25.0054   65.360   15.035  7.5373  14.009  6.7133  1.026091       10.09351 
1 1 1 -24 -31 30 o 36.169  8.2285  245.918    70.586   0.8914     137.154  334.197    82.325   17.828  8.7965  42.256  8.3254  -24.42768      12.11160 
1 1 1 -24 -31 31 o 13.314  6.3882  -29.4136   59.596   254.204    118.551  -125.3235  68.940   27.108  11.167  11.420  5.7287  15.68766       12.55025 
1 1 1 -24 -31 32 o 14.019  6.6370  -13.3337   60.039   42.716     119.772  -32.1447   69.386   18.395  8.8830  14.020  6.7677  4.375949       11.16731 
1 1 1 -24 -31 33 o 29.185  8.8973  181.729    68.717   260.949    128.517  150.012    81.318   26.118  11.234  24.197  9.4938  1.920658       14.70812 
1 1 1 -24 -31 34 o 23.484  9.2351  136.930    77.109   160.654    150.855  128.540    89.715   21.201  10.170  21.981  9.4183  -0.7800541     13.86120 
1 1 1 -24 -31 35 o 12.059  5.9697  -80.4362   65.051   -51.6435   131.937  -89.6836   74.772   16.480  8.2147  12.691  6.3026  3.788873       10.35394 
1 1 1 -24 -31 36 o 32.073  8.6563  210.568    68.930   296.266    161.871  191.586    76.182   24.226  11.286  28.369  9.4504  -4.142492      14.71994 
1 1 1 -24 -31 37 o 24.793  8.5942  136.041    63.094   127.424    132.880  138.549    71.690   20.283  9.6792  23.881  9.0309  -3.598404      13.23796 
1 1 1 -24 -31 38 o 17.857  7.6666  57.866     59.659   20.628     129.556  67.887     67.209   17.563  8.6431  18.530  8.0465  -0.9671879     11.80887 
1 1 1 -24 -31 39 o 15.489  7.0675  22.497     58.948   35.834     138.249  19.533     65.170   17.897  8.8308  15.631  7.2401  2.266746       11.41938 
1 1 1 -24 -31 40 o 16.115  7.6788  14.872     82.974   -69.9909   130.565  72.363     107.465  15.789  7.9155  18.511  8.7972  -2.721585      11.83410 
1 1 1 -24 -31 41 o 12.926  6.4682  -106.2126  85.341   -37.5624   245.750  -115.6268  91.005   ?       ?       13.122  6.5826  0.000000       6.582567 
1 1 1 -24 -31 42 o 16.271  7.8588  11.819     93.859   83.747     259.309  0.9750     100.686  ?       ?       16.173  7.8874  0.000000       7.887399 
1 1 1 -24 -31 43 o 19.012  8.0311  78.010     63.649   7.5211     147.498  94.140     70.556   17.246  8.6109  19.915  8.4365  -2.669048      12.05493 
1 1 1 -24 -31 44 o 11.552  5.6532  -51.0584   53.049   -190.5328  142.422  -28.5905   57.162   ?       ?       12.796  6.1685  0.000000       6.168465 
1 1 1 -24 -31 45 o 12.812  6.2060  -33.6293   59.569   -106.5989  146.142  -19.0901   65.234   15.579  7.8770  13.801  6.6376  1.777610       10.30070 
1 1 1 -24 -31 46 o 20.868  8.4344  103.627    66.105   177.453    157.360  87.807     72.844   20.337  9.9054  19.374  8.3949  0.9629841      12.98429 
1 1 1 -24 -31 47 o 10.999  5.4671  -81.7091   56.711   -228.0500  144.768  -55.1809   61.637   ?       ?       12.275  6.0251  0.000000       6.025131 
1 1 1 -24 -31 48 o 17.339  7.5548  53.614     59.653   -54.8575   141.562  77.034     65.778   16.224  8.1481  18.926  8.0856  -2.701900      11.47902 
1 1 1 -24 -31 49 o 29.626  9.0828  200.692    71.487   318.193    155.408  169.157    80.510   24.379  11.253  24.845  9.5281  -0.4667873     14.74477 
1 1 1 -24 -31 50 f 19.991  8.8752  104.761    85.986   88.319     148.557  113.044    105.443  18.709  9.2166  19.809  9.1876  -1.099949      13.01370 
1 1 1 -24 -31 51 o 22.756  9.8378  172.802    99.573   306.668    206.961  132.482    113.583  21.260  10.546  20.194  9.4226  1.066442       14.14227 
1 1 1 -24 -31 52 o 18.021  9.0824  60.920     184.452  60.920     184.452  0.0000     0.0000   18.021  9.0824  ?       ?       0.000000       9.082389 
1 1 1 -24 -31 53 o 14.875  7.5368  -122.9449  138.710  -122.9449  138.710  0.0000     0.0000   14.875  7.5368  ?       ?       0.000000       7.536819 
1 1 1 -24 -31 54 o 16.300  8.2078  -11.9063   148.825  -11.9063   148.825  0.0000     0.0000   16.300  8.2078  ?       ?       0.000000       8.207750 
1 1 1 -24 -31 55 o 17.381  8.3363  76.502     101.296  117.618    270.621  69.803     109.237  ?       ?       17.157  8.3329  0.000000       8.332858 
1 1 1 -24 -30 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -30 7  o ?       ?       -155.9187  6.3093   0.0000     0.0000   -155.9187  6.3093   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -30 8  o ?       ?       -146.8481  8.4516   0.0000     0.0000   -146.8481  8.4516   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -30 9  o 17.110  8.0128  42.230     83.380   0.0000     0.0000   42.230     83.380   ?       ?       17.110  8.0128  0.000000       8.012813 
1 1 1 -24 -30 10 o 16.747  6.6985  47.196     41.223   120.117    100.033  32.279     45.244   20.373  9.2616  15.436  6.6524  4.936912       11.40315 
1 1 1 -24 -30 11 o 13.842  6.0909  16.821     39.636   -103.8649  94.930   42.303     43.620   13.626  6.8191  16.310  6.7512  -2.683828      9.595771 
1 1 1 -24 -30 12 o 31.163  7.9792  187.987    60.595   57.874     118.554  233.996    70.499   18.234  8.8131  33.930  8.5629  -15.69604      12.28792 
1 1 1 -24 -30 13 o 24.787  8.4126  132.842    60.369   230.010    120.897  100.567    69.677   24.564  10.727  20.811  8.5652  3.753670       13.72733 
1 1 1 -24 -30 14 o 21.550  8.3956  103.000    63.245   53.386     122.616  120.984    73.822   18.369  8.8995  22.244  8.9404  -3.875114      12.61472 
1 1 1 -24 -30 15 o 15.149  6.8997  16.465     55.859   116.216    115.405  -14.0543   63.835   20.446  9.5261  14.195  6.7559  6.251051       11.67849 
1 1 1 -24 -30 16 o 11.920  5.8493  -62.3306   58.005   -128.9782  119.764  -41.9056   66.300   14.806  7.4435  13.394  6.5023  1.412032       9.883620 
1 1 1 -24 -30 17 o 20.896  8.6692  96.869     72.164   64.803     134.658  109.789    85.474   19.144  9.2874  21.232  9.1469  -2.088158      13.03539 
1 1 1 -24 -30 18 o 15.560  6.7379  27.982     46.867   -15.9351   102.844  39.493     52.651   16.487  8.0253  16.733  7.1935  -0.2459202     10.77739 
1 1 1 -24 -30 19 f 30.073  7.6865  163.989    56.300   130.686    114.493  174.610    64.658   21.626  9.8608  29.608  8.5330  -7.982876      13.04023 
1 1 1 -24 -30 20 o 10.670  5.1529  -39.7150   40.327   -156.9709  96.013   -14.5983   44.437   13.160  6.6220  12.514  5.8570  0.6459789      8.840546 
1 1 1 -24 -30 21 o 15.707  6.7358  28.974     45.960   62.572     103.827  20.786     51.255   19.232  8.9857  15.421  6.8490  3.810740       11.29830 
1 1 1 -24 -30 22 f 14.212  6.9069  -46.6199   75.364   98.100     177.284  -78.5412   83.262   20.510  10.097  13.911  6.8618  6.599198       12.20780 
1 1 1 -24 -30 23 o 20.685  9.1826  92.811     92.027   0.0000     0.0000   92.811     92.027   ?       ?       20.685  9.1826  0.000000       9.182631 
1 1 1 -24 -30 24 o 15.269  7.3011  -19.2922   76.400   -150.6483  177.475  10.588     84.645   17.107  8.6524  16.865  7.9527  0.2418385      11.75198 
1 1 1 -24 -30 25 o 14.562  6.5248  11.252     47.611   -41.5912   120.027  21.119     51.867   16.902  8.3180  15.578  6.9056  1.323800       10.81090 
1 1 1 -24 -30 26 o 19.903  7.8719  72.538     56.326   209.828    125.524  37.923     63.029   25.253  10.981  17.299  7.6432  7.954166       13.37927 
1 1 1 -24 -30 27 o 18.843  7.6886  60.700     55.540   62.842     125.824  60.182     61.896   19.711  9.4097  18.834  7.9359  0.8766117      12.30937 
1 1 1 -24 -30 28 o 23.030  8.4671  107.772    62.149   181.028    118.626  80.058     72.964   24.306  10.620  20.246  8.5781  4.059666       13.65168 
1 1 1 -24 -30 29 o 12.917  6.1892  -34.0568   55.534   -176.9211  113.116  11.314     63.745   14.083  7.0994  15.785  7.2571  -1.701451      10.15224 
1 1 1 -24 -30 30 o 21.647  8.3927  94.371     62.966   2.8299     123.603  126.453    73.173   18.027  8.7800  23.823  9.0960  -5.795620      12.64222 
1 1 1 -24 -30 31 o 15.960  7.2324  18.939     60.402   -24.6482   120.858  33.451     69.736   17.262  8.4656  17.249  7.7979  0.1380157E-01  11.50969 
1 1 1 -24 -30 32 o 9.6595  4.8390  -103.3412  48.384   62.783     113.961  -139.8706  53.439   19.439  9.1849  9.4709  4.7865  9.967717       10.35730 
1 1 1 -24 -30 33 o 22.575  8.1321  100.891    56.912   -25.3112   120.467  137.151    64.572   17.142  8.4157  25.627  8.7005  -8.484570      12.10469 
1 1 1 -24 -30 34 o 12.554  6.1556  -65.4450   63.813   -142.6977  127.868  -39.8241   73.638   15.250  7.6698  14.249  6.9016  1.001804       10.31785 
1 1 1 -24 -30 35 o 14.264  6.8533  -28.2495   69.105   -51.9265   134.632  -19.7800   80.522   16.950  8.4245  15.354  7.3819  1.596144       11.20108 
1 1 1 -24 -30 36 o 15.447  7.2422  2.9596     68.447   -54.1562   139.473  21.079     78.558   16.982  8.4619  16.761  7.8261  0.2204456      11.52612 
1 1 1 -24 -30 37 o 16.186  7.2227  29.194     57.699   -55.2640   127.162  51.090     64.748   16.480  8.1903  17.833  7.8175  -1.353510      11.32232 
1 1 1 -24 -30 38 o 13.643  6.4210  -11.2088   54.686   -88.9215   123.440  7.7675     60.998   15.659  7.8274  15.089  6.9945  0.5706644      10.49714 
1 1 1 -24 -30 39 o 13.202  6.2983  -22.8003   56.172   88.744     131.938  -47.4946   62.079   19.529  9.4041  12.802  6.2325  6.726911       11.28185 
1 1 1 -24 -30 40 o 29.012  8.8116  180.379    67.492   65.471     147.468  210.825    75.908   18.888  9.2805  30.452  9.3634  -11.56454      13.18334 
1 1 1 -24 -30 41 o 15.507  7.5623  -22.8787   92.513   264.273    253.814  -66.8724   99.347   20.773  10.492  14.768  7.3223  6.005453       12.79410 
1 1 1 -24 -30 42 o 14.366  7.0923  -59.2512   89.651   -137.1437  255.319  -48.2969   95.747   ?       ?       14.956  7.3738  0.000000       7.373784 
1 1 1 -24 -30 43 o 14.999  6.9452  12.262     59.892   -201.3740  142.142  58.378     66.040   14.564  7.4042  17.865  7.8618  -3.301430      10.79952 
1 1 1 -24 -30 44 o 11.594  5.7183  -67.3472   57.760   -81.5667   141.420  -64.5001   63.279   15.990  8.0451  12.225  6.0207  3.765890       10.04854 
1 1 1 -24 -30 45 o 16.902  7.5295  44.697     62.415   -24.1518   146.766  59.897     68.961   16.940  8.4777  17.908  7.9494  -0.9674339     11.62170 
1 1 1 -24 -30 46 o 12.122  5.9416  -55.1396   59.298   -113.8651  142.931  -42.9305   65.171   15.567  7.8636  13.054  6.3616  2.513672       10.11464 
1 1 1 -24 -30 47 o 16.086  7.4622  25.644     69.615   213.474    139.323  -36.8558   80.367   22.317  10.421  14.325  6.9992  7.992660       12.55344 
1 1 1 -24 -30 48 o 13.859  6.5960  -12.7832   60.851   -148.9473  142.711  17.474     67.273   15.154  7.6749  15.619  7.2757  -0.4643612     10.57550 
1 1 1 -24 -30 49 o 13.660  6.5092  -15.8324   59.646   28.989     139.330  -25.8897   66.000   17.818  8.8052  13.757  6.6309  4.061417       11.02270 
1 1 1 -24 -30 50 o 21.803  8.6906  113.609    69.147   110.101    154.667  114.486    77.303   19.445  9.5443  21.293  8.9147  -1.848131      13.06010 
1 1 1 -24 -30 51 o 16.034  8.1127  -111.1041  156.941  -111.1041  156.941  0.0000     0.0000   16.034  8.1127  ?       ?       0.000000       8.112700 
1 1 1 -24 -30 52 o 19.467  9.7294  141.383    190.454  141.383    190.454  0.0000     0.0000   19.467  9.7294  ?       ?       0.000000       9.729417 
1 1 1 -24 -30 53 o 18.848  8.5057  83.295     82.537   -128.3555  144.807  185.143    100.452  15.250  7.7243  23.359  9.9861  -8.109072      12.62489 
1 1 1 -24 -30 54 o 12.722  6.1909  -36.6539   61.081   -58.2968   148.345  -32.2356   67.026   16.015  8.0802  13.333  6.4873  2.682384       10.36224 
1 1 1 -24 -30 55 o 16.865  8.2708  40.977     115.353  -166.5781  266.763  88.712     127.932  ?       ?       17.989  8.7982  0.000000       8.798179 
1 1 1 -24 -29 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -29 7  o 27.210  7.2094  134.656    48.361   0.0000     0.0000   134.656    48.361   ?       ?       27.210  7.2094  0.000000       7.209437 
1 1 1 -24 -29 8  o ?       ?       -354.7358  8.9281   0.0000     0.0000   -354.7358  8.9281   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -29 9  o 17.002  8.0067  31.948     85.283   0.0000     0.0000   31.948     85.283   ?       ?       17.002  8.0067  0.000000       8.006723 
1 1 1 -24 -29 10 f 21.417  7.4183  87.914     47.005   75.325     105.039  91.067     52.561   18.957  8.9149  21.253  7.7908  -2.296053      11.83938 
1 1 1 -24 -29 11 o 14.794  6.1905  27.472     37.247   -96.2580   74.872   68.165     42.938   12.541  6.2411  19.385  7.0513  -6.844481      9.416583 
1 1 1 -24 -29 12 o 25.942  7.7458  128.184    52.480   -2.0510    111.388  165.343    59.498   16.983  8.2852  29.215  8.1075  -12.23189      11.59207 
1 1 1 -24 -29 13 o 36.240  7.6586  234.494    65.235   301.422    122.459  207.975    77.084   29.506  11.627  30.431  9.4487  -0.9252682     14.98209 
1 1 1 -24 -29 14 o 18.508  7.8025  60.028     59.881   -173.7172  119.631  138.171    69.170   14.299  7.2194  24.873  8.9646  -10.57454      11.51021 
1 1 1 -24 -29 15 o 15.538  6.9296  21.170     53.033   59.464     100.425  6.3604     62.451   19.019  8.8696  15.306  7.0889  3.712884       11.35437 
1 1 1 -24 -29 16 f 19.701  8.3047  73.519     67.828   -64.4648   127.012  128.570    80.226   16.608  8.2424  23.320  9.3387  -6.711937      12.45586 
1 1 1 -24 -29 17 o 17.248  7.7144  35.390     66.230   48.924     118.973  29.313     79.726   19.169  9.1508  17.461  8.0596  1.708313       12.19402 
1 1 1 -24 -29 18 o 17.194  7.2967  41.296     52.929   199.059    122.110  4.7977     58.733   25.094  10.871  15.121  6.9572  9.972774       12.90682 
1 1 1 -24 -29 19 o 16.715  6.8930  38.727     45.236   90.271     103.229  26.476     50.325   20.773  9.4298  15.951  6.9446  4.822217       11.71109 
1 1 1 -24 -29 20 o 15.481  6.5840  26.086     43.258   -10.5354   104.663  33.631     47.506   17.263  8.3282  16.405  6.9345  0.8585739      10.83730 
1 1 1 -24 -29 21 o 16.724  7.0114  36.671     47.922   61.552     125.146  32.396     51.877   20.024  9.5097  16.574  7.1330  3.450394       11.88756 
1 1 1 -24 -29 22 o 15.845  6.7003  28.695     44.376   -182.2153  120.764  61.619     47.714   14.655  7.3813  19.198  7.3416  -4.542717      10.41071 
1 1 1 -24 -29 23 o 19.932  8.8460  68.276     85.348   225.675    194.367  30.678     94.996   23.830  11.460  18.426  8.6044  5.403976       14.33088 
1 1 1 -24 -29 24 o 13.397  6.5735  -75.7280   73.177   79.803     173.154  -109.5455  80.741   21.035  10.277  13.198  6.5536  7.837275       12.18885 
1 1 1 -24 -29 25 o 13.135  6.1179  -14.2853   47.542   -111.7379  113.941  6.2571     52.313   15.520  7.7197  14.855  6.7315  0.6645374      10.24242 
1 1 1 -24 -29 26 o 18.958  7.8772  57.578     59.713   -23.8201   119.952  84.394     68.850   17.739  8.6420  21.087  8.5772  -3.347193      12.17588 
1 1 1 -24 -29 27 o 11.695  5.6923  -56.9529   51.715   60.628     104.613  -94.9808   59.493   19.918  9.2073  11.422  5.6638  8.496118       10.80985 
1 1 1 -24 -29 28 o 22.052  8.3403  92.629     61.150   12.073     116.726  123.100    71.790   18.569  8.9176  24.253  9.0651  -5.684343      12.71614 
1 1 1 -24 -29 29 o 15.911  7.1520  16.361     57.691   -22.4500   113.736  29.805     66.941   17.500  8.5001  17.278  7.7398  0.2215862      11.49589 
1 1 1 -24 -29 30 o 19.300  7.8199  62.482     56.972   125.589    139.149  49.772     62.446   22.194  10.380  18.378  7.8655  3.816105       13.02363 
1 1 1 -24 -29 31 o 17.321  7.3261  40.523     53.071   -55.2411   118.820  64.388     59.316   16.873  8.2986  19.441  7.9406  -2.568193      11.48564 
1 1 1 -24 -29 32 o 13.175  6.2206  -22.5933   52.087   14.156     117.146  -31.6489   58.152   18.494  8.8948  13.415  6.4022  5.079160       10.95928 
1 1 1 -24 -29 33 o 16.969  7.3587  35.102     56.061   125.568    120.381  10.049     63.350   22.208  10.120  15.843  7.2656  6.365105       12.45839 
1 1 1 -24 -29 34 o 12.245  6.0209  -75.3218   62.419   -73.7675   115.569  -75.9619   74.168   16.177  7.9987  13.377  6.5747  2.799442       10.35402 
1 1 1 -24 -29 35 o 17.835  8.1074  37.247     76.640   -19.9343   149.106  57.778     89.345   18.349  9.0751  19.155  8.7253  -0.8064022     12.58920 
1 1 1 -24 -29 36 o 18.713  8.5617  51.042     87.254   -45.1960   144.490  106.280    109.468  17.677  8.7760  21.222  9.6632  -3.544706      13.05358 
1 1 1 -24 -29 37 o 42.725  7.8729  321.749    78.610   467.794    148.085  264.448    92.758   36.644  13.126  33.426  10.363  3.218449       16.72381 
1 1 1 -24 -29 38 o 40.021  7.8137  283.427    73.155   285.548    156.277  282.832    82.785   25.762  11.658  37.491  9.1751  -11.72864      14.83519 
1 1 1 -24 -29 39 o 11.545  5.6637  -63.9059   54.255   -175.5955  153.269  -47.9057   58.011   15.802  7.9978  12.525  6.0806  3.277602       10.04681 
1 1 1 -24 -29 40 o 30.641  8.7827  192.228    68.665   123.514    148.414  210.942    77.453   20.686  9.9641  30.763  9.4581  -10.07744      13.73822 
1 1 1 -24 -29 41 o 23.554  10.153  170.157    105.453  481.794    269.334  113.734    114.602  23.532  11.731  20.642  9.5753  2.890083       15.14294 
1 1 1 -24 -29 42 o 15.541  7.5656  -25.4842   91.478   23.403     243.001  -33.5562   98.741   19.011  9.6669  15.672  7.6786  3.339718       12.34540 
1 1 1 -24 -29 43 o 15.790  7.7640  -35.1051   103.793  88.501     232.264  -65.9485   116.023  19.431  9.8354  15.645  7.7831  3.786053       12.54241 
1 1 1 -24 -29 44 o 14.464  6.8543  -7.5791    64.344   1.5811     133.057  -10.3751   73.512   17.399  8.5992  14.944  7.1500  2.455204       11.18346 
1 1 1 -24 -29 45 o 16.135  7.4175  25.843     66.569   -0.6448    133.060  34.686     76.883   17.306  8.5617  16.922  7.8474  0.3835812      11.61398 
1 1 1 -24 -29 46 f 19.624  8.4088  84.284     71.520   180.136    143.038  52.332     82.585   21.521  10.205  17.821  8.2177  3.700340       13.10219 
1 1 1 -24 -29 47 o 15.914  7.5086  12.934     75.663   -133.6842  236.212  29.697     79.871   ?       ?       16.766  7.8487  0.000000       7.848716 
1 1 1 -24 -29 48 o 13.107  6.3293  -33.5953   60.826   28.648     135.085  -49.4242   68.122   17.908  8.8154  13.186  6.4429  4.722514       10.91894 
1 1 1 -24 -29 49 o 19.712  8.7184  88.857     82.212   74.165     148.965  95.292     98.585   18.978  9.3255  19.752  9.0605  -0.7739143     13.00220 
1 1 1 -24 -29 50 o 30.024  12.986  493.146    173.656  493.146    173.656  0.0000     0.0000   30.024  12.986  ?       ?       0.000000       12.98560 
1 1 1 -24 -29 51 o 16.966  8.5695  -76.3060   169.491  -76.3060   169.491  0.0000     0.0000   16.966  8.5695  ?       ?       0.000000       8.569472 
1 1 1 -24 -29 52 o 17.994  9.0497  4.2135     178.020  4.2135     178.020  0.0000     0.0000   17.994  9.0497  ?       ?       0.000000       9.049698 
1 1 1 -24 -29 53 o 16.090  7.3413  29.762     63.582   172.438    138.563  -8.2929    71.561   21.152  10.034  14.760  7.0603  6.391792       12.26894 
1 1 1 -24 -29 54 o 9.4210  4.7314  -101.1900  47.722   -121.0644  140.304  -98.5900   50.747   15.265  7.7182  9.8690  4.9457  5.395760       9.166842 
1 1 1 -24 -29 55 o 13.326  6.7283  -138.0913  103.966  90.998     225.993  -199.5911  117.092  18.274  9.2950  13.173  6.6996  5.100909       11.45783 
1 1 1 -24 -29 56 o 13.817  6.9314  -87.2123   100.966  -163.7727  261.941  -73.8524   109.421  ?       ?       14.411  7.2275  0.000000       7.227538 
1 1 1 -24 -28 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -28 7  o 12.382  5.4476  7.7776     31.691   0.0000     0.0000   7.7776     31.691   ?       ?       12.382  5.4476  0.000000       5.447562 
1 1 1 -24 -28 8  o 19.240  8.4086  75.070     74.411   123.945    121.679  45.872     94.047   20.736  9.7010  17.980  8.4488  2.756077       12.86442 
1 1 1 -24 -28 9  o 14.668  6.9723  -11.7226   67.571   125.147    133.296  -59.0588   78.390   20.739  9.8390  13.861  6.8015  6.878476       11.96101 
1 1 1 -24 -28 10 o 11.361  5.3538  -19.7635   38.243   -98.0175   78.588   4.5170     43.776   12.937  6.4310  13.573  6.1534  -0.6364536     8.900715 
1 1 1 -24 -28 11 o 21.632  7.5897  87.689     49.278   60.443     103.152  95.746     56.093   19.048  8.9179  21.984  8.0498  -2.936436      12.01371 
1 1 1 -24 -28 12 o 39.821  9.1368  313.749    86.409   -185.3052  209.898  415.583    94.816   ?       ?       47.202  8.5953  0.000000       8.595285 
1 1 1 -24 -28 13 o 44.333  6.3793  309.273    66.646   139.269    128.780  371.459    77.887   22.152  10.231  47.665  6.9380  -25.51284      12.36198 
1 1 1 -24 -28 14 o 39.399  7.0064  254.330    64.525   235.997    117.729  262.202    77.144   27.631  11.225  37.337  8.6799  -9.706133      14.18945 
1 1 1 -24 -28 15 o 13.466  6.2426  -9.2778    48.590   -4.8794    91.904   -10.9843   57.246   16.871  8.0506  14.252  6.6631  2.619082       10.45037 
1 1 1 -24 -28 16 o 15.815  7.1610  13.871     59.078   81.405     98.385   -24.2118   73.881   20.625  9.2989  15.134  7.2207  5.491535       11.77322 
1 1 1 -24 -28 17 o 28.722  8.8387  162.026    67.623   208.913    131.365  145.123    78.876   25.783  11.223  25.618  9.5164  0.1649723      14.71434 
1 1 1 -24 -28 18 o 20.240  8.0361  71.823     58.910   87.843     124.304  67.183     66.899   21.207  9.8827  19.846  8.2996  1.360968       12.90546 
1 1 1 -24 -28 19 o 16.581  6.9383  33.773     46.790   80.330     110.675  23.641     51.631   20.971  9.6124  16.072  7.0149  4.898891       11.89986 
1 1 1 -24 -28 20 o 19.262  7.4547  60.139     49.610   25.253     124.955  66.667     54.053   19.441  9.3072  19.911  7.7603  -0.4701843     12.11802 
1 1 1 -24 -28 21 o 13.621  6.2698  -8.1977    47.769   35.449     117.898  -16.7700   52.249   19.635  9.2971  13.649  6.3763  5.985632       11.27362 
1 1 1 -24 -28 22 o 15.803  6.9516  18.755     51.595   115.143    114.694  -5.6988    57.770   22.704  10.154  14.830  6.8507  7.874555       12.24854 
1 1 1 -24 -28 23 o 15.301  7.5001  -76.9762   94.520   0.0000     0.0000   -76.9762   94.520   ?       ?       15.301  7.5001  0.000000       7.500103 
1 1 1 -24 -28 24 o 20.129  8.8423  63.497     83.215   -107.3275  195.444  101.322    91.968   19.094  9.5876  22.363  9.5576  -3.269005      13.53767 
1 1 1 -24 -28 25 o 17.250  8.0190  7.4865     81.032   -17.2920   183.658  13.476     90.296   20.124  9.9742  17.993  8.3978  2.130764       13.03873 
1 1 1 -24 -28 26 o 38.471  7.2893  239.067    65.552   212.200    120.051  250.481    78.246   27.713  11.305  37.149  8.8135  -9.436171      14.33485 
1 1 1 -24 -28 27 o 18.580  7.7593  49.406     58.358   41.921     112.745  52.146     68.206   19.879  9.3122  19.088  8.1961  0.7911987      12.40536 
1 1 1 -24 -28 28 o 13.606  6.3594  -18.0721   52.078   -6.0258    110.599  -21.5040   59.032   18.230  8.7350  14.189  6.6758  4.041189       10.99390 
1 1 1 -24 -28 29 o 19.636  7.7935  62.574     55.389   167.121    121.924  35.386     62.176   25.055  10.859  17.675  7.7067  7.379930       13.31560 
1 1 1 -24 -28 30 o 26.209  8.2828  125.899    58.958   207.614    123.248  101.650    67.138   27.035  11.282  22.990  8.7285  4.045401       14.26440 
1 1 1 -24 -28 31 o 18.535  7.6743  50.628     56.386   241.163    121.264  -1.9316    63.690   29.096  11.537  15.531  7.1810  13.56484       13.58913 
1 1 1 -24 -28 32 o 17.028  7.3722  32.068     56.081   -10.0875   120.510  43.721     63.359   18.353  8.8743  18.205  7.8589  0.1472569      11.85393 
1 1 1 -24 -28 33 o 19.401  7.9503  61.237     59.708   53.481     124.867  63.536     67.984   20.219  9.5720  19.679  8.3058  0.5400829      12.67321 
1 1 1 -24 -28 34 o 16.386  7.3670  18.887     61.245   96.264     125.517  -5.2929    70.165   21.538  10.002  15.760  7.3711  5.778185       12.42433 
1 1 1 -24 -28 35 o 18.720  8.5716  41.140     87.698   234.347    138.623  -87.7884   113.240  26.565  11.546  15.985  7.9063  10.58042       13.99342 
1 1 1 -24 -28 36 o 16.768  7.9144  0.3668     84.180   90.191     138.886  -51.7941   105.836  21.092  10.017  16.338  7.9934  4.753981       12.81564 
1 1 1 -24 -28 37 o 16.218  7.4169  14.275     65.380   45.130     141.622  5.9181     73.704   19.785  9.5802  16.325  7.6085  3.459501       12.23390 
1 1 1 -24 -28 38 o 28.446  9.0219  166.478    69.902   60.575     139.244  202.159    80.824   19.987  9.6334  30.284  9.7114  -10.29686      13.67902 
1 1 1 -24 -28 39 o 35.441  8.5988  237.330    73.191   439.109    148.750  172.872    84.073   35.155  13.067  26.831  9.8504  8.324881       16.36371 
1 1 1 -24 -28 40 o 18.298  7.9399  53.140     65.343   91.191     131.677  40.708     75.264   20.432  9.7182  17.815  8.0733  2.616461       12.63417 
1 1 1 -24 -28 41 f 26.565  11.392  257.106    131.460  316.268    236.283  230.582    158.207  23.071  11.413  23.767  11.100  -0.6964588     15.92085 
1 1 1 -24 -28 42 o 15.550  7.7491  -89.0825   117.034  -192.9316  210.883  -42.8617   140.689  ?       ?       17.247  8.5788  0.000000       8.578830 
1 1 1 -24 -28 43 o 15.071  7.5468  -111.6728  117.109  -133.0555  211.232  -102.1838  140.714  ?       ?       16.191  8.1307  0.000000       8.130719 
1 1 1 -24 -28 44 o 19.791  8.4035  81.248     70.268   117.900    133.872  67.309     82.555   20.493  9.7617  18.874  8.5130  1.618664       12.95229 
1 1 1 -24 -28 45 o 16.467  7.4890  29.920     65.491   99.685     122.346  1.9015     77.535   19.945  9.4516  15.749  7.4810  4.195603       12.05397 
1 1 1 -24 -28 46 o 16.123  7.4982  19.019     70.977   -65.1516   139.527  48.404     82.441   16.526  8.2696  17.838  8.2203  -1.312185      11.66018 
1 1 1 -24 -28 47 o 66.092  7.7145  786.056    121.385  1662.61    316.602  635.002    131.429  41.016  17.637  52.233  10.729  -11.21671      20.64371 
1 1 1 -24 -28 48 o 17.820  8.1127  50.374     77.116   8.4414     139.883  68.683     92.431   17.784  8.7947  18.817  8.6829  -1.032566      12.35874 
1 1 1 -24 -28 49 o 18.476  9.0275  45.100     133.708  45.100     133.708  0.0000     0.0000   18.476  9.0275  ?       ?       0.000000       9.027481 
1 1 1 -24 -28 50 o 20.908  10.074  147.838    152.016  147.838    152.016  0.0000     0.0000   20.908  10.074  ?       ?       0.000000       10.07444 
1 1 1 -24 -28 51 o 16.905  7.9989  21.689     86.977   58.994     165.857  7.5389     102.150  19.070  9.4564  16.941  8.1865  2.128284       12.50767 
1 1 1 -24 -28 52 o 14.873  7.1818  -23.0645   78.294   -137.3512  176.036  5.1176     87.416   16.589  8.4142  16.286  7.7935  0.3028507      11.46904 
1 1 1 -24 -28 53 o 16.597  7.5142  34.649     65.028   30.976     143.104  35.605     73.001   18.151  8.9612  16.905  7.7700  1.246141       11.86071 
1 1 1 -24 -28 54 o 14.024  6.6753  -12.5057   62.349   68.298     150.098  -29.3557   68.542   18.688  9.2173  13.837  6.6914  4.850815       11.39006 
1 1 1 -24 -28 55 f 15.997  7.3368  29.568     64.608   -55.3551   145.282  50.504     72.133   16.309  8.1989  17.285  7.8603  -0.9753780     11.35809 
1 1 1 -24 -28 56 o 17.764  8.6147  63.537     115.564  116.228    274.678  52.204     127.386  ?       ?       17.554  8.6251  0.000000       8.625127 
1 1 1 -24 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -27 7  o 10.014  4.6638  -13.9684   27.610   0.0000     0.0000   -13.9684   27.610   ?       ?       10.014  4.6638  0.000000       4.663757 
1 1 1 -24 -27 8  o 14.048  5.9621  19.560     35.343   19.234     82.376   19.633     39.128   16.948  7.9459  14.385  6.1928  2.563704       10.07410 
1 1 1 -24 -27 9  o 24.581  9.2384  137.806    74.760   412.766    155.726  55.456     85.223   31.759  12.907  18.776  8.5405  12.98280       15.47663 
1 1 1 -24 -27 10 o 32.537  6.6595  171.087    50.805   212.224    89.578   151.579    61.685   29.512  10.240  27.978  8.4076  1.533224       13.24915 
1 1 1 -24 -27 11 o 21.825  7.7369  87.296     51.320   2.9833     108.371  111.670    58.267   17.776  8.5509  24.001  8.2624  -6.225039      11.89057 
1 1 1 -24 -27 12 o 29.174  7.8290  151.302    56.575   140.218    114.006  154.923    65.165   23.141  10.249  28.159  8.6784  -5.018913      13.42972 
1 1 1 -24 -27 13 o 14.761  6.5281  13.050     46.083   49.123     91.743   0.8769     53.294   19.183  8.7776  14.628  6.6922  4.554932       11.03773 
1 1 1 -24 -27 14 o 21.680  7.7012  83.054     50.871   69.514     94.818   88.527     60.282   20.319  9.1480  21.824  8.2744  -1.504513      12.33495 
1 1 1 -24 -27 15 f 15.716  6.8597  20.587     49.375   -13.6038   90.440   35.104     58.932   16.845  8.0238  17.399  7.5449  -0.5542202     11.01399 
1 1 1 -24 -27 16 o 22.640  7.9763  91.674     54.463   39.935     96.279   116.020    66.045   19.253  8.8764  24.440  8.7649  -5.187231      12.47457 
1 1 1 -24 -27 17 o 13.014  6.0571  -16.7037   46.459   -85.2005   108.159  -1.2060    51.447   16.046  7.8967  14.510  6.6138  1.536146       10.30052 
1 1 1 -24 -27 18 o 17.772  7.5624  38.929     57.123   13.987     142.236  43.725     62.375   19.952  9.6460  18.369  7.8614  1.582663       12.44377 
1 1 1 -24 -27 19 o 17.516  7.3022  38.681     51.556   21.705     185.638  40.100     53.667   21.079  10.368  17.741  7.4277  3.337458       12.75408 
1 1 1 -24 -27 20 o 10.936  5.2683  -44.0954   41.506   -183.7393  115.464  -23.3734   44.479   14.745  7.3992  12.439  5.8341  2.306136       9.422537 
1 1 1 -24 -27 21 o 24.256  8.1628  104.269    56.832   -73.4280   119.838  155.830    64.553   17.195  8.4321  29.420  8.5398  -12.22502      12.00123 
1 1 1 -24 -27 22 o 55.968  5.7204  452.104    76.592   487.119    140.948  437.432    91.239   45.289  12.443  52.488  7.3669  -7.198742      14.46051 
1 1 1 -24 -27 23 o 24.056  10.387  126.809    110.716  -74.3406   199.991  215.699    132.947  20.151  10.056  27.838  11.675  -7.686932      15.40876 
1 1 1 -24 -27 24 o 19.477  9.1234  22.479     108.207  -239.8799  195.070  139.089    130.049  18.010  9.1057  24.340  10.854  -6.330275      14.16751 
1 1 1 -24 -27 25 o 18.917  8.9043  9.9189     105.222  148.202    181.695  -59.8586   129.067  24.135  11.461  18.066  8.8362  6.069298       14.47184 
1 1 1 -24 -27 26 o 22.230  8.3594  86.377     61.226   -47.7094   111.997  143.531    73.120   17.493  8.4827  27.201  9.2584  -9.707113      12.55682 
1 1 1 -24 -27 27 o 27.279  8.3756  132.431    60.762   286.305    115.204  73.129     71.519   34.498  11.622  21.011  8.6662  13.48755       14.49720 
1 1 1 -24 -27 28 o 23.150  8.1440  93.814     56.757   45.067     111.197  110.988    66.003   20.392  9.4498  24.444  8.7625  -4.051752      12.88721 
1 1 1 -24 -27 29 o 55.844  5.7539  450.785    76.848   521.342    139.346  419.946    92.124   48.467  11.929  50.915  7.6971  -2.448326      14.19712 
1 1 1 -24 -27 30 f 33.050  8.0767  186.041    64.220   192.946    121.134  183.341    75.741   27.166  11.248  30.876  9.3249  -3.710329      14.61060 
1 1 1 -24 -27 31 o 22.453  8.5827  91.347     65.193   187.134    116.822  48.025     78.564   26.983  11.096  19.383  8.5503  7.599382       14.00844 
1 1 1 -24 -27 32 o 31.144  9.0081  181.986    71.941   277.425    123.619  133.109    88.465   32.052  11.912  24.895  9.8593  7.156448       15.46303 
1 1 1 -24 -27 33 o 29.114  9.2276  165.862    73.135   104.123    127.125  196.404    89.413   22.498  10.308  29.942  10.238  -7.443680      14.52847 
1 1 1 -24 -27 34 o 23.047  8.9884  103.423    72.550   153.067    123.803  77.458     89.534   24.463  10.765  21.065  9.2145  3.398514       14.16992 
1 1 1 -24 -27 35 o 17.747  8.3252  7.7604     90.666   -120.5174  147.540  85.597     114.928  17.312  8.6387  21.496  9.8317  -4.184160      13.08777 
1 1 1 -24 -27 36 o 19.452  8.7714  51.381     87.575   80.801     143.240  33.819     110.668  21.370  10.156  19.372  9.1223  1.998392       13.65154 
1 1 1 -24 -27 37 o 22.883  9.7756  117.017    96.138   45.687     162.692  155.287    119.170  20.559  10.026  24.178  10.602  -3.618618      14.59207 
1 1 1 -24 -27 38 f 20.652  8.4090  77.904     66.259   76.143     131.109  78.507     76.787   20.815  9.8402  20.629  8.7727  0.1854954      13.18297 
1 1 1 -24 -27 39 o 48.358  7.1469  381.114    81.331   421.193    149.909  364.396    96.819   35.080  13.102  43.175  9.4998  -8.095573      16.18355 
1 1 1 -24 -27 40 o 26.233  9.3412  150.503    74.889   126.654    133.381  161.483    90.501   22.040  10.260  25.563  10.020  -3.522741      14.34072 
1 1 1 -24 -27 41 o 23.271  10.546  163.752    128.461  99.451     230.525  192.713    154.708  20.935  10.498  23.418  10.950  -2.482824      15.16994 
1 1 1 -24 -27 42 o 20.883  9.7977  103.146    125.642  90.107     226.607  108.934    150.972  20.571  10.328  20.923  10.071  -0.3515873     14.42600 
1 1 1 -24 -27 43 o 16.228  8.0394  -64.5829   118.801  -2.3603    214.611  -92.0743   142.652  19.253  9.7146  16.659  8.3399  2.594458       12.80341 
1 1 1 -24 -27 44 f 16.678  7.5986  27.648     67.806   250.273    129.875  -55.7735   79.502   26.171  11.275  14.158  6.9268  12.01382       13.23261 
1 1 1 -24 -27 45 o 19.867  8.5014  80.646     72.930   32.128     137.344  99.698     86.066   18.576  9.0917  20.774  9.0622  -2.198643      12.83678 
1 1 1 -24 -27 46 o 21.252  8.8531  103.084    75.701   -80.1801   141.808  176.122    89.524   16.551  8.2905  25.525  9.9764  -8.973570      12.97151 
1 1 1 -24 -27 47 o 17.363  8.5963  -19.1332   135.035  -19.1332   135.035  0.0000     0.0000   17.363  8.5963  ?       ?       0.000000       8.596292 
1 1 1 -24 -27 48 o 17.113  8.4664  -24.4734   130.116  -24.4734   130.116  0.0000     0.0000   17.113  8.4664  ?       ?       0.000000       8.466446 
1 1 1 -24 -27 49 o 24.754  11.313  270.587    151.809  270.587    151.809  0.0000     0.0000   24.754  11.313  ?       ?       0.000000       11.31339 
1 1 1 -24 -27 50 o 19.877  8.3358  80.566     67.772   96.815     139.879  75.582     77.472   20.003  9.6446  19.416  8.5303  0.5868111      12.87574 
1 1 1 -24 -27 51 o 16.345  7.7254  9.6054     80.725   -156.8021  175.617  54.185     90.897   16.606  8.4212  18.469  8.5533  -1.862509      12.00313 
1 1 1 -24 -27 52 o 14.647  7.0186  -20.1881   71.429   -88.5030   162.590  -3.8502    79.512   17.026  8.5740  15.750  7.5084  1.275784       11.39690 
1 1 1 -24 -27 53 o 23.154  8.8153  122.149    68.601   183.983    148.435  105.354    77.359   22.052  10.439  21.221  8.9031  0.8308563      13.71982 
1 1 1 -24 -27 54 o 17.290  7.5182  47.552     58.832   -446.5901  137.960  157.389    65.043   ?       ?       27.007  8.7173  0.000000       8.717342 
1 1 1 -24 -27 55 o 14.451  6.7937  -0.8433    60.928   -240.1673  152.193  44.833     66.489   ?       ?       17.097  7.6823  0.000000       7.682263 
1 1 1 -24 -27 56 o 14.651  7.2803  -62.3604   100.305  187.792    235.321  -117.9012  110.883  19.519  9.8823  14.146  7.1178  5.373532       12.17880 
1 1 1 -24 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -26 7  o 10.884  4.9575  -6.6083    28.840   57.000     91.273   -13.6635   30.398   19.087  8.7415  10.611  4.9256  8.475520       10.03370 
1 1 1 -24 -26 8  o 23.783  6.6584  93.296     39.945   137.812    89.771   82.306     44.605   23.848  9.7579  21.718  7.2311  2.130131       12.14513 
1 1 1 -24 -26 9  o 23.217  8.9327  112.144    70.907   201.209    153.930  88.155     79.887   24.242  11.193  21.082  8.9563  3.159733       14.33517 
1 1 1 -24 -26 10 o ?       ?       -362.3813  52.598   -277.9637  75.577   -441.6778  73.248   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -26 11 o 14.281  6.4211  4.6986     46.538   -64.9914   91.113   29.297     54.132   15.268  7.4585  16.677  7.2316  -1.409273      10.38874 
1 1 1 -24 -26 12 o 17.056  7.1013  36.904     48.668   -90.7634   97.429   79.352     56.179   15.138  7.4585  21.223  8.0020  -6.085076      10.93893 
1 1 1 -24 -26 13 o 13.340  6.1958  -14.8631   48.204   -34.0444   148.766  -12.6130   50.953   18.994  9.3305  13.792  6.3932  5.202196       11.31064 
1 1 1 -24 -26 14 o 23.269  7.6504  92.815     49.986   269.142    92.959   21.093     59.287   36.341  10.151  16.669  7.3864  19.67243       12.55420 
1 1 1 -24 -26 15 o 12.210  5.6061  -11.5641   37.870   -128.7947  85.294   17.219     42.264   13.456  6.6908  15.003  6.4473  -1.547282      9.291691 
1 1 1 -24 -26 16 f 20.585  7.2587  68.186     45.115   168.097    97.908   41.255     50.833   27.176  10.485  17.810  7.3214  9.366138       12.78834 
1 1 1 -24 -26 17 o 20.882  8.3223  71.638     63.402   242.504    147.181  32.706     70.255   28.486  12.130  18.270  8.0709  10.21592       14.57006 
1 1 1 -24 -26 18 f 22.844  8.4640  91.794     62.316   13.504     157.922  106.233    67.820   20.888  10.115  24.038  8.8439  -3.149868      13.43605 
1 1 1 -24 -26 19 o 25.019  7.8987  106.244    53.627   345.806    122.259  49.172     59.674   38.726  11.879  19.028  7.8879  19.69776       14.25943 
1 1 1 -24 -26 20 o 20.251  7.5649  64.092     49.979   63.821     114.812  64.156     55.516   21.554  9.8461  20.298  7.8775  1.255581       12.60952 
1 1 1 -24 -26 21 o 21.650  8.0818  77.282     57.024   214.661    114.849  32.334     65.693   29.859  11.397  18.170  7.9221  11.68879       13.87983 
1 1 1 -24 -26 22 o 22.667  8.5028  88.206     63.270   28.479     111.038  116.921    76.991   20.173  9.3805  24.859  9.3689  -4.686810      13.25786 
1 1 1 -24 -26 23 o 22.014  9.8580  73.838     108.496  -81.7331   196.256  142.311    130.201  20.493  10.183  25.159  11.056  -4.665815      15.03085 
1 1 1 -24 -26 24 o 18.274  8.7334  -25.8953   109.003  -216.8474  181.607  81.634     136.280  18.154  9.1315  22.763  10.518  -4.609213      13.92873 
1 1 1 -24 -26 25 o 19.407  9.0731  11.968     106.116  121.072    183.215  -43.1072   130.173  24.231  11.507  18.886  9.1549  5.345598       14.70470 
1 1 1 -24 -26 26 o 18.840  7.6755  47.584     55.245   33.347     107.136  52.741     64.478   20.265  9.3500  19.634  8.1741  0.6304855      12.41929 
1 1 1 -24 -26 27 o 26.502  8.5584  123.937    62.688   58.050     115.896  151.186    74.531   21.499  9.8477  28.332  9.3431  -6.833332      13.57466 
1 1 1 -24 -26 28 o 20.018  7.9931  59.895     58.584   152.148    110.715  24.019     69.042   26.117  10.779  17.887  7.9465  8.230160       13.39126 
1 1 1 -24 -26 29 o 17.174  7.6459  18.131     64.255   7.6760     106.728  24.075     80.474   19.203  9.0161  18.554  8.3833  0.6493416      12.31139 
1 1 1 -24 -26 30 o 28.328  9.1612  149.868    71.809   207.869    119.205  116.834    89.963   28.973  11.454  24.330  9.8376  4.642281       15.09878 
1 1 1 -24 -26 31 o 21.260  8.6036  74.038     68.876   207.170    114.456  -1.5420    86.238   29.170  11.314  17.640  8.2242  11.52957       13.98693 
1 1 1 -24 -26 32 o 15.342  7.1189  -11.8982   63.405   24.946     105.228  -32.9002   79.446   19.605  9.1217  15.857  7.5443  3.747768       11.83730 
1 1 1 -24 -26 33 o 14.489  6.8872  -35.3235   65.923   10.296     107.457  -62.8542   83.477   19.086  8.9880  15.131  7.3339  3.954714       11.60038 
1 1 1 -24 -26 34 o 14.159  6.7971  -47.2421   67.680   -66.4769   108.699  -35.0638   86.491   16.790  8.1899  16.228  7.7621  0.5627060      11.28384 
1 1 1 -24 -26 35 o 16.743  7.9014  -14.1656   83.864   -67.8550   135.294  19.336     106.873  18.057  8.8759  19.197  9.0161  -1.139389      12.65194 
1 1 1 -24 -26 36 o 21.842  9.5646  88.079     96.689   45.532     173.625  107.204    116.410  21.356  10.402  22.738  10.195  -1.381542      14.56500 
1 1 1 -24 -26 37 o 15.347  7.4983  -71.4447   92.224   -0.0005    182.322  -96.0102   106.910  20.477  10.111  15.752  7.7708  4.725570       12.75185 
1 1 1 -24 -26 38 o 17.824  7.8993  33.527     67.829   -120.9984  141.048  80.011     77.361   17.013  8.4826  21.064  8.8737  -4.051544      12.27583 
1 1 1 -24 -26 39 o 19.030  8.1382  54.133     66.757   -54.7609   126.479  96.184     78.596   17.510  8.6017  22.036  9.0864  -4.525982      12.51212 
1 1 1 -24 -26 40 o 15.593  7.2343  -1.1545    65.448   -132.0495  125.653  47.578     76.669   15.865  7.9254  18.775  8.3557  -2.909674      11.51655 
1 1 1 -24 -26 41 o 18.664  8.2075  50.163     71.866   -12.5133   132.375  76.356     85.575   18.382  8.9818  20.396  8.9630  -2.014618      12.68889 
1 1 1 -24 -26 42 o 26.379  11.354  230.694    131.465  565.542    237.093  82.037     157.974  29.214  13.626  20.749  10.064  8.465158       16.93959 
1 1 1 -24 -26 43 o 23.121  10.491  159.593    127.558  604.289    230.289  -37.2335   153.208  30.243  13.864  18.142  9.0121  12.10091       16.53537 
1 1 1 -24 -26 44 o 25.891  9.3859  152.895    75.985   133.394    136.944  161.569    91.334   21.723  10.204  24.999  9.9807  -3.276667      14.27336 
1 1 1 -24 -26 45 o 16.530  7.6192  20.111     70.873   -59.7102   128.207  55.238     85.050   16.709  8.2906  18.697  8.5150  -1.987284      11.88438 
1 1 1 -24 -26 46 o 23.074  10.721  193.836    144.547  193.836    144.547  0.0000     0.0000   23.074  10.721  ?       ?       0.000000       10.72088 
1 1 1 -24 -26 47 o 13.339  6.7725  -231.8127  116.004  -231.8127  116.004  0.0000     0.0000   13.339  6.7725  ?       ?       0.000000       6.772472 
1 1 1 -24 -26 48 o ?       ?       -438.4499  204.933  -438.4499  204.933  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -26 49 o 15.659  7.1971  14.170     62.629   -7.0978    137.735  19.714     70.319   17.829  8.8002  16.357  7.5569  1.471771       11.59958 
1 1 1 -24 -26 50 o 18.949  7.9954  65.421     62.968   -153.4127  154.135  109.259    68.987   16.086  8.1296  22.277  8.7432  -6.191132      11.93877 
1 1 1 -24 -26 51 o 13.265  6.4739  -55.4777   68.186   25.919     192.922  -67.0973   72.891   19.266  9.6531  13.323  6.5421  5.942593       11.66108 
1 1 1 -24 -26 52 o 16.436  7.6840  14.375     76.103   -114.3990  190.984  38.682     82.975   17.576  8.8991  17.773  8.2102  -0.1966782     12.10786 
1 1 1 -24 -26 53 o 15.500  7.1323  12.314     61.745   232.844    159.076  -26.8047   66.998   23.494  11.024  14.124  6.7759  9.370154       12.93949 
1 1 1 -24 -26 54 o 13.579  6.5008  -25.9819   60.950   61.961     165.844  -39.7148   65.536   19.290  9.5461  13.461  6.5177  5.829844       11.55890 
1 1 1 -24 -26 55 f 15.144  7.0063  10.656     60.760   -2.0281    155.676  12.935     65.995   17.854  8.9036  15.562  7.2350  2.291878       11.47252 
1 1 1 -24 -26 56 o 16.339  7.9264  2.7530     98.064   -65.2724   264.529  13.591     105.587  ?       ?       16.860  8.1894  0.000000       8.189392 
1 1 1 -24 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -25 7  o 33.249  6.2012  169.881    48.189   104.193    116.547  183.427    52.925   21.747  9.9289  34.052  6.6441  -12.30460      11.94678 
1 1 1 -24 -25 8  o 9.2026  4.4437  -36.4838   29.969   1.7692     76.716   -43.3726   32.556   16.572  7.7364  9.3501  4.5430  7.221679       8.971697 
1 1 1 -24 -25 9  o 19.589  8.1518  61.257     64.087   129.441    140.287  43.275     72.044   22.989  10.639  18.578  8.1918  4.411243       13.42776 
1 1 1 -24 -25 10 o 30.527  7.0271  149.592    50.973   239.320    105.876  122.519    58.157   31.262  11.110  26.045  8.2258  5.216501       13.82340 
1 1 1 -24 -25 11 o 18.541  7.1322  51.543     45.198   147.491    94.100   22.768     51.532   25.657  10.166  16.241  7.0491  9.416550       12.37094 
1 1 1 -24 -25 12 o 24.077  7.7938  99.331     51.964   133.242    95.589   85.106     61.911   24.799  10.099  22.025  8.3770  2.774517       13.12120 
1 1 1 -24 -25 13 o 17.102  7.1318  33.723     49.201   99.218     90.854   6.5451     58.526   22.863  9.6231  15.862  7.1599  7.000805       11.99449 
1 1 1 -24 -25 14 f 40.549  5.5352  234.242    53.037   386.737    106.993  184.562    61.068   45.439  9.9775  33.709  7.6425  11.72957       12.56816 
1 1 1 -24 -25 15 o 23.219  7.0796  85.922     43.505   28.494     94.350   101.429    49.028   19.423  8.8926  24.871  7.5005  -5.447626      11.63343 
1 1 1 -24 -25 16 f 41.681  5.7547  248.668    56.647   432.175    121.632  197.842    64.013   46.750  10.920  35.007  7.7417  11.74355       13.38583 
1 1 1 -24 -25 17 o 27.601  8.8046  136.085    66.501   173.229    158.047  128.094    73.306   26.116  11.779  26.225  9.2522  -0.1089382     14.97843 
1 1 1 -24 -25 18 o 19.738  8.0188  54.712     60.081   82.841     146.328  49.009     65.892   23.151  10.767  19.512  8.2030  3.639290       13.53554 
1 1 1 -24 -25 19 o 13.114  6.0114  -12.8463   43.295   -55.6385   102.798  -3.6193    47.735   17.154  8.2700  14.311  6.4623  2.842663       10.49547 
1 1 1 -24 -25 20 o 12.200  5.8344  -44.5634   48.814   -174.4024  105.896  -9.5314    55.006   14.622  7.3001  14.821  6.7873  -0.1992235     9.967888 
1 1 1 -24 -25 21 o 15.255  6.9569  -6.1633    57.009   9.7251     92.657   -15.8417   72.317   18.885  8.7072  16.261  7.5643  2.624708       11.53404 
1 1 1 -24 -25 22 o 35.887  8.0998  208.746    68.857   119.249    119.855  252.838    84.126   24.768  10.750  38.162  9.1941  -13.39340      14.14568 
1 1 1 -24 -25 23 o 21.541  9.1750  66.895     84.235   32.463     106.595  124.152    137.460  20.583  9.4341  24.974  11.146  -4.390421      14.60247 
1 1 1 -24 -25 24 o 26.056  10.823  140.403    112.666  6.5441     194.871  207.613    138.084  22.517  10.980  28.928  11.996  -6.410959      16.26200 
1 1 1 -24 -25 25 o 23.630  10.778  89.666     136.932  0.0000     0.0000   89.666     136.932  ?       ?       23.630  10.778  0.000000       10.77827 
1 1 1 -24 -25 26 o 15.863  7.0519  7.4640     54.461   47.917     106.933  -6.7042    63.284   21.257  9.6288  15.894  7.2792  5.362355       12.07062 
1 1 1 -24 -25 27 o 41.307  7.5967  265.984    73.334   267.691    121.578  265.007    91.942   34.048  11.923  38.094  9.8678  -4.046440      15.47662 
1 1 1 -24 -25 28 o 17.829  7.8099  24.433     64.517   29.183     111.153  22.021     79.229   20.589  9.5080  18.667  8.3870  1.921478       12.67851 
1 1 1 -24 -25 29 o 20.915  8.5095  65.066     67.788   27.430     113.254  86.078     84.620   20.562  9.5312  22.720  9.4036  -2.158762      13.38928 
1 1 1 -24 -25 30 o 18.412  7.9780  32.804     65.791   88.336     105.424  -2.6179    84.198   22.985  10.028  17.745  8.2231  5.240074       12.96854 
1 1 1 -24 -25 31 o 23.152  8.9298  92.838     70.998   101.015    116.601  88.020     89.503   23.607  10.415  22.750  9.5622  0.8565845      14.13865 
1 1 1 -24 -25 32 o 33.626  9.0764  201.070    75.778   192.320    126.464  205.973    94.652   28.023  11.537  31.552  10.535  -3.529205      15.62322 
1 1 1 -24 -25 33 o 36.763  9.0914  238.940    80.644   169.377    133.597  278.817    101.151  26.377  11.399  37.151  10.663  -10.77365      15.60897 
1 1 1 -24 -25 34 o 23.382  9.2237  99.986     77.144   -47.5195   146.458  156.624    90.754   19.377  9.4636  27.364  10.199  -7.986937      13.91356 
1 1 1 -24 -25 35 o 32.522  11.455  250.317    112.317  152.882    198.021  296.530    136.376  24.542  11.741  32.871  12.450  -8.328342      17.11241 
1 1 1 -24 -25 36 o 22.674  9.8471  96.104     100.678  -27.3595   191.905  142.989    118.260  20.823  10.298  24.913  10.746  -4.090279      14.88352 
1 1 1 -24 -25 37 o 19.672  9.0458  36.999     99.097   -303.1168  200.580  146.824    113.979  17.534  8.9028  25.026  10.666  -7.491348      13.89355 
1 1 1 -24 -25 38 o 17.819  8.1482  18.652     78.879   -102.2523  145.576  68.901     93.850   17.799  8.8319  20.878  9.2704  -3.078430      12.80402 
1 1 1 -24 -25 39 o 27.631  9.2125  151.132    72.390   317.559    130.589  77.304     86.977   33.593  12.285  21.100  9.1581  12.49240       15.32305 
1 1 1 -24 -25 40 o 20.003  8.3239  65.756     66.817   -15.6650   123.432  99.504     79.467   18.449  8.9358  22.431  9.1797  -3.982464      12.81080 
1 1 1 -24 -25 41 o 10.955  5.4979  -136.6075  63.864   -142.5871  142.074  -135.0933  71.495   16.598  8.3116  11.822  5.9162  4.776731       10.20218 
1 1 1 -24 -25 42 o 40.681  12.823  465.368    141.375  522.771    242.595  435.849    173.969  28.807  13.547  32.538  13.477  -3.731258      19.10868 
1 1 1 -24 -25 43 o 19.678  9.4323  44.296     129.237  -117.2296  246.309  105.657    151.813  19.313  9.8117  21.485  10.279  -2.171917      14.20985 
1 1 1 -24 -25 44 o 15.400  7.2585  -9.0418    70.372   80.995     138.404  -40.4346   81.725   20.566  9.8320  15.061  7.2889  5.504843       12.23914 
1 1 1 -24 -25 45 o 23.576  11.037  204.395    157.972  204.395    157.972  0.0000     0.0000   23.576  11.037  ?       ?       0.000000       11.03730 
1 1 1 -24 -25 46 o 25.478  11.611  271.539    158.432  271.539    158.432  0.0000     0.0000   25.478  11.611  ?       ?       0.000000       11.61063 
1 1 1 -24 -25 47 o 25.056  11.609  281.857    167.695  281.857    167.695  0.0000     0.0000   25.056  11.609  ?       ?       0.000000       11.60886 
1 1 1 -24 -25 48 o 17.049  7.8148  28.592     73.165   -180.1389  153.987  89.454     83.150   15.883  8.0363  20.503  8.9267  -4.620057      12.01111 
1 1 1 -24 -25 49 o 16.776  7.4721  32.862     61.444   43.151     159.828  31.078     66.559   19.335  9.5317  16.892  7.6292  2.442810       12.20891 
1 1 1 -24 -25 50 o 20.411  8.3110  82.557     64.726   214.884    162.591  57.637     70.558   23.245  10.980  18.601  8.1571  4.644073       13.67812 
1 1 1 -24 -25 51 o 20.437  9.0585  88.616     89.224   289.823    205.782  42.033     99.015   23.660  11.479  18.456  8.6714  5.204500       14.38600 
1 1 1 -24 -25 52 o 15.374  7.3486  -16.8148   77.248   213.679    203.128  -55.7855   83.524   22.358  10.967  14.550  7.1147  7.807950       13.07231 
1 1 1 -24 -25 53 o 25.039  9.1781  141.755    72.946   103.301    173.958  149.959    80.352   20.546  10.092  24.962  9.5316  -4.416018      13.88173 
1 1 1 -24 -25 54 o 18.974  8.1059  65.417     66.105   145.730    164.640  49.981     72.179   21.250  10.300  18.064  8.0682  3.186203       13.08351 
1 1 1 -24 -25 55 o 11.575  5.6761  -61.5258   54.293   -16.3383   157.581  -67.6125   57.834   17.913  8.9371  11.773  5.7899  6.140755       10.64867 
1 1 1 -24 -25 56 o 17.214  8.4151  7.9216     116.599  0.0000     0.0000   7.9216     116.599  ?       ?       17.214  8.4151  0.000000       8.415120 
1 1 1 -24 -25 57 o 17.905  8.6079  52.751     109.440  0.0000     0.0000   52.751     109.440  ?       ?       17.905  8.6079  0.000000       8.607935 
1 1 1 -24 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -24 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -24 6  o 13.397  5.6768  13.612     31.959   0.0000     0.0000   13.612     31.959   ?       ?       13.397  5.6768  0.000000       5.676829 
1 1 1 -24 -24 7  o 21.127  6.3643  69.975     35.315   9.1193     71.454   89.644     40.623   16.750  7.6944  23.609  6.7516  -6.859167      10.23661 
1 1 1 -24 -24 8  o 16.093  6.1490  34.604     33.454   7.6408     65.170   44.251     38.982   16.323  7.4416  17.534  6.6524  -1.211231      9.981593 
1 1 1 -24 -24 9  o 13.898  6.5263  -23.6282   55.958   89.708     131.237  -48.8116   61.863   22.309  10.313  13.462  6.4719  8.847266       12.17521 
1 1 1 -24 -24 10 o 16.161  6.6260  29.365     41.497   -56.8403   88.056   53.976     47.049   15.700  7.5902  19.005  7.2849  -3.305058      10.52051 
1 1 1 -24 -24 11 o 21.993  7.2705  77.901     45.121   63.071     96.988   81.998     50.973   21.078  9.3881  22.252  7.7241  -1.174112      12.15722 
1 1 1 -24 -24 12 o 18.181  7.2180  44.519     47.524   4.2639     87.380   61.428     56.633   18.058  8.3712  20.116  7.9133  -2.058245      11.51937 
1 1 1 -24 -24 13 o 13.302  5.8750  2.0818     37.203   22.536     84.132   -2.8902    41.479   18.798  8.5256  13.508  6.0688  5.290488       10.46495 
1 1 1 -24 -24 14 o 27.565  6.9670  117.706    46.620   56.592     96.643   136.241    53.222   21.139  9.3957  29.234  7.4742  -8.094978      12.00601 
1 1 1 -24 -24 15 o 45.811  5.3407  291.533    58.250   427.583    125.510  254.183    65.761   46.443  11.255  41.211  6.8147  5.232513       13.15762 
1 1 1 -24 -24 16 o 42.460  5.7427  254.819    57.646   370.602    123.078  222.282    65.245   42.345  11.625  37.998  7.3424  4.347584       13.74962 
1 1 1 -24 -24 17 f 17.659  7.5109  29.383     56.306   -48.6223   133.820  46.164     62.068   19.367  9.3616  19.336  8.0325  0.3082466E-01  12.33531 
1 1 1 -24 -24 18 o 31.912  8.8454  174.122    70.866   279.184    148.472  143.126    80.645   32.652  12.823  27.757  9.7110  4.895292       16.08509 
1 1 1 -24 -24 19 o 22.902  7.7717  83.128     51.521   -19.5082   99.606   120.617    60.199   18.385  8.6567  26.902  8.3495  -8.516775      12.02713 
1 1 1 -24 -24 20 f 33.076  7.3724  168.381    57.657   165.871    105.550  169.448    68.835   28.385  10.904  31.750  8.6844  -3.364687      13.93970 
1 1 1 -24 -24 21 o 12.589  5.9919  -42.6352   50.218   -11.7682   90.149   -56.5231   60.469   18.087  8.4245  13.369  6.4198  4.718227       10.59181 
1 1 1 -24 -24 22 o 48.136  6.0729  328.944    69.351   293.712    128.019  343.578    82.507   36.123  12.251  47.670  7.3709  -11.54731      14.29718 
1 1 1 -24 -24 23 o 12.394  5.8816  -39.2304   47.697   -97.8614   98.440   -21.2431   54.525   15.937  7.7780  14.265  6.6127  1.671915       10.20911 
1 1 1 -24 -24 24 o 15.100  7.4634  -138.5635  100.272  -101.3659  180.268  -155.2287  120.661  20.560  10.133  16.351  8.1005  4.209690       12.97301 
1 1 1 -24 -24 25 o 16.862  8.1783  -80.9034   104.247  -209.7997  178.642  -14.3432   128.372  18.784  9.3932  20.281  9.6314  -1.496992      13.45348 
1 1 1 -24 -24 26 o 34.306  8.5951  194.316    71.397   180.020    115.530  203.150    90.815   28.996  11.333  32.788  10.268  -3.791882      15.29301 
1 1 1 -24 -24 27 o 18.062  7.8098  26.724     62.778   69.022     104.408  2.7726     78.566   22.518  9.8977  17.878  8.1582  4.640211       12.82656 
1 1 1 -24 -24 28 f 29.096  8.9564  146.368    69.430   185.899    115.457  123.975    86.898   29.294  11.363  25.945  9.9110  3.349945       15.07777 
1 1 1 -24 -24 29 o 20.113  8.4348  50.623     69.391   8.8006     115.742  74.090     86.700   20.318  9.4911  22.290  9.3923  -1.972450      13.35271 
1 1 1 -24 -24 30 o 35.101  8.9930  210.390    76.938   100.019    125.910  276.160    97.194   24.184  10.738  38.684  10.207  -14.49989      14.81507 
1 1 1 -24 -24 31 o 31.367  9.4934  178.141    78.440   198.340    137.996  168.499    95.341   28.661  11.947  28.929  10.510  -0.2680454     15.91204 
1 1 1 -24 -24 32 o 43.258  8.1639  300.162    82.549   137.153    146.912  375.374    99.792   25.525  11.448  47.206  9.0416  -21.68096      14.58768 
1 1 1 -24 -24 33 o 36.978  9.2651  240.064    82.960   233.533    141.811  243.461    102.290  29.974  12.264  34.393  10.914  -4.419352      16.41745 
1 1 1 -24 -24 34 f 24.103  9.4442  105.513    80.380   171.914    144.531  75.779     96.717   26.626  11.676  22.170  9.6398  4.455610       15.14091 
1 1 1 -24 -24 35 o 22.245  9.9023  76.042     107.739  254.645    199.771  2.7863     127.940  27.861  12.823  20.125  9.5746  7.735954       16.00355 
1 1 1 -24 -24 36 o 17.019  8.1427  -38.0267   95.326   -141.7818  182.415  0.9515     111.807  19.168  9.5716  19.259  9.0995  -0.9094620E-01 13.20663 
1 1 1 -24 -24 37 o 26.735  10.977  167.909    114.098  361.380    200.125  74.735     138.881  30.560  13.555  22.341  10.423  8.219290       17.09882 
1 1 1 -24 -24 38 o 22.014  9.0833  84.931     78.604   -25.8653   154.817  123.412    91.239   19.915  9.7271  24.535  9.9117  -4.620461      13.88736 
1 1 1 -24 -24 39 o 13.644  6.5597  -49.2702   63.570   -90.9933   121.875  -33.6761   74.508   16.976  8.3596  15.313  7.2911  1.662475       11.09253 
1 1 1 -24 -24 40 o 22.966  9.1606  101.636    76.877   133.642    144.421  88.981     90.812   23.628  10.885  21.937  9.4394  1.690683       14.40811 
1 1 1 -24 -24 41 o 22.151  8.9077  92.447     73.326   126.954    143.375  80.225     85.330   23.133  10.724  21.223  9.1411  1.909409       14.09091 
1 1 1 -24 -24 42 o 29.665  12.052  274.896    135.725  343.577    242.302  243.493    163.842  25.916  12.544  26.254  11.903  -0.3383446     17.29314 
1 1 1 -24 -24 43 o 30.730  12.147  297.734    134.060  886.482    242.910  39.865     160.760  41.315  16.345  20.400  9.9525  20.91510       19.13677 
1 1 1 -24 -24 44 o 21.965  10.476  119.434    155.188  119.434    155.188  0.0000     0.0000   21.965  10.476  ?       ?       0.000000       10.47611 
1 1 1 -24 -24 45 o 28.703  12.692  367.203    174.165  367.203    174.165  0.0000     0.0000   28.703  12.692  ?       ?       0.000000       12.69244 
1 1 1 -24 -24 46 o 18.593  8.6448  41.244     94.252   -117.3309  161.278  123.494    116.151  17.220  8.6545  22.043  10.005  -4.823431      13.22881 
1 1 1 -24 -24 47 o 15.634  7.2106  7.9668     63.630   -201.3886  161.650  46.353     69.218   16.105  8.1577  18.065  7.9942  -1.959425      11.42169 
1 1 1 -24 -24 48 o 12.747  6.0984  -32.6781   53.455   137.985    164.726  -52.7654   56.514   21.572  10.417  12.288  5.9738  9.284516       12.00839 
1 1 1 -24 -24 49 o 27.259  8.9931  156.899    69.050   273.507    158.370  129.530    76.726   25.585  11.640  23.784  9.2524  1.801329       14.86902 
1 1 1 -24 -24 50 o 17.772  7.7926  44.913     64.370   168.934    154.976  19.055     70.763   22.464  10.643  16.570  7.6285  5.893852       13.09463 
1 1 1 -24 -24 51 o 19.509  8.7039  68.148     83.742   204.193    206.323  41.316     91.629   22.382  10.993  18.387  8.5406  3.995390       13.92108 
1 1 1 -24 -24 52 o 20.676  9.1667  89.511     91.427   150.449    226.029  77.590     99.970   21.476  10.713  20.086  9.1802  1.390013       14.10800 
1 1 1 -24 -24 53 o 18.608  7.9805  56.773     64.522   -114.7232  204.128  75.809     68.008   18.169  9.1995  19.994  8.3653  -1.824295      12.43418 
1 1 1 -24 -24 54 o 20.334  8.3532  81.317     66.112   308.914    158.702  33.527     72.722   26.667  11.933  17.332  7.8859  9.334858       14.30365 
1 1 1 -24 -24 55 o 24.858  9.1131  140.512    71.920   285.251    180.702  113.269    78.397   24.103  11.441  22.069  9.0845  2.034437       14.60918 
1 1 1 -24 -24 56 o 22.717  10.400  181.821    129.042  0.0000     0.0000   181.821    129.042  ?       ?       22.717  10.400  0.000000       10.40047 
1 1 1 -24 -24 57 o 18.685  8.9012  69.828     111.331  0.0000     0.0000   69.828     111.331  ?       ?       18.685  8.9012  0.000000       8.901152 
1 1 1 -24 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -23 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -23 6  o 20.868  7.2388  70.801     44.766   0.0000     0.0000   70.801     44.766   ?       ?       20.868  7.2388  0.000000       7.238809 
1 1 1 -24 -23 7  o 25.829  6.3560  101.987    39.564   16.400     78.107   131.525    45.886   17.814  8.1313  29.196  6.6287  -11.38138      10.49086 
1 1 1 -24 -23 8  o 27.764  6.7044  119.217    44.654   198.837    90.446   93.555     51.349   30.888  10.298  23.613  7.7536  7.275007       12.89017 
1 1 1 -24 -23 9  f 17.263  7.4605  26.938     57.224   -124.7273  134.801  60.277     63.201   17.307  8.5719  20.155  8.2103  -2.848629      11.86957 
1 1 1 -24 -23 10 o 41.688  5.3976  243.685    53.317   255.413    107.097  239.820    61.477   34.318  11.194  40.173  6.5312  -5.854332      12.96017 
1 1 1 -24 -23 11 f 32.216  6.2660  152.571    47.218   162.661    91.571   148.917    55.110   28.315  10.298  30.649  7.4771  -2.333109      12.72595 
1 1 1 -24 -23 12 o 11.818  5.4154  -13.5549   35.097   -4.5226    80.753   -15.6584   38.970   17.500  8.0896  12.312  5.6656  5.188204       9.876264 
1 1 1 -24 -23 13 o 15.070  6.2943  18.498     38.410   -50.6378   85.488   35.984     42.993   16.132  7.7166  17.284  6.8643  -1.152031      10.32789 
1 1 1 -24 -23 14 o 29.774  6.7670  132.969    47.779   64.567     109.086  149.206    53.148   22.322  9.9481  31.231  7.1657  -8.909201      12.26017 
1 1 1 -24 -23 15 o 60.888  4.7450  496.294    69.549   566.753    138.748  472.649    80.375   55.953  10.608  58.141  5.7737  -2.188076      12.07736 
1 1 1 -24 -23 16 o 58.964  4.7303  464.559    67.107   624.529    132.826  409.732    77.761   61.408  9.1975  53.827  6.0592  7.581078       11.01397 
1 1 1 -24 -23 17 o 28.092  9.1656  137.032    71.797   232.382    140.205  103.140    83.589   31.211  12.396  24.561  9.6289  6.649101       15.69612 
1 1 1 -24 -23 18 o 41.691  8.4823  277.972    82.886   287.254    136.106  272.501    104.498  35.218  12.588  37.881  10.827  -2.662746      16.60343 
1 1 1 -24 -23 19 o 34.264  7.3589  178.077    59.355   93.637     132.718  199.188    66.362   24.547  10.954  35.790  7.8571  -11.24322      13.48037 
1 1 1 -24 -23 20 o 17.860  7.0623  38.008     45.326   -16.9893   93.100   55.094     51.892   18.290  8.5331  19.982  7.6526  -1.691977      11.46194 
1 1 1 -24 -23 21 o 18.270  7.0764  42.113     44.730   41.777     84.769   42.243     52.658   20.593  8.9881  18.771  7.5487  1.821453       11.73748 
1 1 1 -24 -23 22 o 15.624  6.7712  11.200     47.407   -138.3403  101.164  53.280     53.665   15.316  7.5565  19.894  7.7383  -4.578436      10.81587 
1 1 1 -24 -23 23 o 41.297  6.6731  247.143    64.587   114.111    122.365  298.517    76.042   25.524  10.970  44.833  7.2367  -19.30882      13.14152 
1 1 1 -24 -23 24 o 31.290  10.939  192.437    102.322  235.002    223.081  181.096    115.149  29.244  13.493  29.659  11.390  -0.4142151     17.65752 
1 1 1 -24 -23 25 o 20.184  9.1734  19.118     98.059   141.633    211.988  -14.2320   110.603  26.846  12.637  19.600  9.1949  7.246141       15.62819 
1 1 1 -24 -23 26 o 22.161  8.9111  71.666     73.376   182.188    216.452  57.316     77.994   27.836  12.995  21.258  8.9303  6.577909       15.76782 
1 1 1 -24 -23 27 o 12.986  6.2946  -72.3984   61.526   -90.9611   101.775  -61.7073   77.238   16.539  8.0352  15.191  7.2845  1.347839       10.84561 
1 1 1 -24 -23 28 o 27.525  9.1873  130.599    71.988   120.116    124.657  135.844    88.178   25.709  11.061  27.241  10.073  -1.532043      14.96049 
1 1 1 -24 -23 29 o 39.240  8.5734  248.442    79.347   330.678    144.079  212.643    95.062   37.420  12.986  33.529  10.506  3.891602       16.70409 
1 1 1 -24 -23 30 o 32.686  9.3749  185.928    78.215   213.754    139.091  173.059    94.587   30.219  12.227  29.917  10.514  0.3015347      16.12623 
1 1 1 -24 -23 31 o 70.108  5.9027  688.277    99.476   724.092    170.410  669.765    122.517  60.962  11.948  66.052  7.7947  -5.089287      14.26550 
1 1 1 -24 -23 32 o 61.104  6.5346  540.263    95.382   687.307    165.021  466.493    116.884  59.273  11.888  52.370  9.5501  6.902103       15.24878 
1 1 1 -24 -23 33 o 39.140  9.2224  261.741    86.148   259.159    151.864  262.966    104.607  31.458  12.760  36.428  10.949  -4.970314      16.81356 
1 1 1 -24 -23 34 o 19.796  8.5849  42.162     76.302   77.965     136.828  26.003     91.922   23.368  10.702  19.731  8.9335  3.636423       13.94089 
1 1 1 -24 -23 35 o 18.045  8.3355  -0.2987    85.519   85.488     143.387  -47.6637   106.544  23.558  10.851  17.758  8.5261  5.799381       13.79964 
1 1 1 -24 -23 36 o 26.073  10.329  137.048    97.124   210.342    180.310  107.089    115.277  27.362  12.437  24.030  10.485  3.332296       16.26699 
1 1 1 -24 -23 37 o 39.455  10.477  302.213    101.985  312.232    177.798  297.300    124.504  30.956  13.261  35.339  12.081  -4.382978      17.93885 
1 1 1 -24 -23 38 o 28.681  9.3939  155.613    75.391   192.895    136.013  139.079    90.579   27.386  11.662  26.085  10.079  1.301397       15.41371 
1 1 1 -24 -23 39 o 30.923  9.4723  182.059    77.768   419.705    148.410  92.105     91.308   39.585  13.190  22.615  9.5898  16.97000       16.30803 
1 1 1 -24 -23 40 f 28.658  9.4000  159.597    75.480   213.221    152.409  142.171    86.882   26.953  11.898  26.083  9.9229  0.8703365      15.49302 
1 1 1 -24 -23 41 o 17.465  7.8225  22.722     68.356   -31.6419   148.866  37.246     76.947   19.358  9.4725  18.747  8.3549  0.6108112      12.63068 
1 1 1 -24 -23 42 o 21.009  9.4187  72.239     99.349   31.550     257.339  79.365     107.698  21.908  11.000  21.431  9.6894  0.4768772      14.65924 
1 1 1 -24 -23 43 o 22.048  11.078  71.426     263.084  71.426     263.084  0.0000     0.0000   22.048  11.078  ?       ?       0.000000       11.07757 
1 1 1 -24 -23 44 o 18.537  9.1764  -51.7418   153.722  -51.7418   153.722  0.0000     0.0000   18.537  9.1764  ?       ?       0.000000       9.176384 
1 1 1 -24 -23 45 o 23.625  9.8926  131.978    95.213   278.466    166.108  60.297     116.196  26.638  12.040  20.121  9.4345  6.517120       15.29575 
1 1 1 -24 -23 46 f 25.434  10.225  164.394    96.582   112.680    169.514  189.250    117.523  21.581  10.458  25.448  10.838  -3.866617      15.06103 
1 1 1 -24 -23 47 o 38.866  7.5270  256.047    68.418   287.869    176.718  250.436    74.205   25.672  11.902  36.940  8.4608  -11.26876      14.60289 
1 1 1 -24 -23 48 o 18.883  7.8174  59.751     58.503   254.255    170.299  33.726     62.294   24.784  11.556  17.102  7.5752  7.682533       13.81731 
1 1 1 -24 -23 49 o 14.725  6.8570  -4.6441    59.666   64.861     151.084  -17.4875   64.945   20.120  9.7784  14.569  6.8988  5.551720       11.96709 
1 1 1 -24 -23 50 o 13.384  6.4296  -36.9858   60.793   -88.9629   206.964  -32.0777   63.598   18.618  9.4102  13.847  6.6321  4.770391       11.51241 
1 1 1 -24 -23 51 o 25.487  9.6783  153.273    82.554   -202.2870  205.859  221.412    90.118   17.516  8.9057  30.423  10.279  -12.90682      13.60011 
1 1 1 -24 -23 52 o 24.682  10.001  153.537    93.204   219.731    230.765  140.634    101.884  22.675  11.228  23.376  10.027  -0.7006416     15.05347 
1 1 1 -24 -23 53 o 18.747  8.2441  54.735     72.511   -39.6727   225.984  65.570     76.559   19.475  9.8426  19.463  8.5171  0.1211166E-01  13.01606 
1 1 1 -24 -23 54 f 14.434  6.7822  -11.6474   60.579   -66.4202   166.592  -3.3009    65.031   17.983  9.0044  15.183  7.0998  2.799688       11.46674 
1 1 1 -24 -23 55 o 15.414  7.2330  -1.4687    68.518   0.0000     0.0000   -1.4687    68.518   ?       ?       15.414  7.2330  0.000000       7.232992 
1 1 1 -24 -23 56 o 22.058  10.017  144.299    116.617  0.0000     0.0000   144.299    116.617  ?       ?       22.058  10.017  0.000000       10.01688 
1 1 1 -24 -23 57 o 19.422  9.1499  85.016     111.559  -175.4282  270.709  138.294    122.439  ?       ?       21.108  9.8270  0.000000       9.827028 
1 1 1 -24 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -22 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -22 6  o 13.230  5.7015  8.1329     33.235   0.0000     0.0000   8.1329     33.235   ?       ?       13.230  5.7015  0.000000       5.701516 
1 1 1 -24 -22 7  f ?       ?       -99.0143   18.609   -140.7713  27.921   -65.6393   24.962   ?       ?       6.9183  3.4672  0.000000       3.467219 
1 1 1 -24 -22 8  o 24.406  7.2045  94.241     45.601   102.382    93.010   91.665     52.321   23.719  9.8414  23.625  7.8300  0.9401703E-01  12.57621 
1 1 1 -24 -22 9  o 19.437  7.9887  49.312     60.508   -14.0392   147.630  62.103     66.335   20.697  9.9619  20.692  8.4182  0.5270004E-02  13.04245 
1 1 1 -24 -22 10 o 15.412  6.3393  22.124     38.139   -95.3831   82.844   53.726     42.962   14.489  7.0853  19.313  7.0490  -4.823645      9.994466 
1 1 1 -24 -22 11 o 9.7340  4.6205  -29.0632   29.476   -133.8143  69.177   -5.8264    32.581   12.032  5.9897  12.031  5.3938  0.1096725E-02  8.060327 
1 1 1 -24 -22 12 o 20.785  8.4570  59.312     66.956   102.702    151.486  48.777     74.643   24.841  11.333  20.333  8.6482  4.507984       14.25580 
1 1 1 -24 -22 13 o 63.118  4.5762  528.070    69.609   499.500    136.475  538.116    80.927   51.731  11.198  62.742  5.3675  -11.01084      12.41760 
1 1 1 -24 -22 14 o 56.216  4.7839  421.811    64.633   299.328    129.306  462.605    74.624   37.016  12.311  58.250  5.3393  -21.23342      13.41914 
1 1 1 -24 -22 15 o 71.694  4.4740  676.263    77.440   804.468    145.154  625.254    91.559   71.435  8.5439  67.401  5.6506  4.034447       10.24344 
1 1 1 -24 -22 16 o 30.847  7.8339  148.379    58.746   173.037    171.922  145.120    62.508   28.052  12.496  30.056  8.2983  -2.003872      15.00071 
1 1 1 -24 -22 17 f 30.517  9.3949  160.144    76.393   155.616    127.926  162.654    95.238   27.903  11.556  29.448  10.529  -1.545357      15.63368 
1 1 1 -24 -22 18 o 39.945  8.6835  254.989    81.761   270.109    136.781  246.583    101.987  34.724  12.592  36.400  10.782  -1.675182      16.57750 
1 1 1 -24 -22 19 o 31.119  7.2365  145.181    53.608   144.021    131.434  145.412    58.713   27.378  11.552  30.596  7.8653  -3.217602      13.97517 
1 1 1 -24 -22 20 o 18.551  7.1317  43.443     45.173   96.133     82.086   20.554     54.102   24.458  9.5547  17.154  7.3310  7.303448       12.04306 
1 1 1 -24 -22 21 o 28.166  8.5304  128.313    63.318   43.098     92.041   204.874    87.242   21.273  9.3231  34.219  9.9264  -12.94611      13.61817 
1 1 1 -24 -22 22 o 24.079  8.2734  90.608     58.409   -95.4427   108.998  165.555    69.180   17.180  8.3394  31.954  8.6921  -14.77414      12.04564 
1 1 1 -24 -22 23 o 50.491  6.2233  357.779    74.629   174.121    153.214  414.907    85.451   28.732  12.309  53.870  6.6808  -25.13780      14.00546 
1 1 1 -24 -22 24 o 22.404  9.4609  64.876     88.280   391.589    212.260  -3.4579    97.074   35.938  14.885  19.353  8.9191  16.58476       17.35291 
1 1 1 -24 -22 25 o 22.614  9.3995  69.903     85.064   66.183     216.077  70.586     92.537   25.662  12.273  22.895  9.6782  2.766457       15.62989 
1 1 1 -24 -22 26 o 25.819  9.1818  110.510    72.332   -24.1191   225.124  126.008    76.382   24.051  11.744  27.188  9.4542  -3.136854      15.07629 
1 1 1 -24 -22 27 f 40.745  7.6455  250.292    72.810   169.063    146.018  277.171    83.998   28.479  12.104  41.910  8.5497  -13.43118      14.81895 
1 1 1 -24 -22 28 o 39.003  8.2691  237.838    75.828   218.779    185.717  241.650    83.067   29.816  13.149  38.404  9.0608  -8.588051      15.96888 
1 1 1 -24 -22 29 o 29.856  8.9269  148.588    69.669   102.549    143.055  162.902    79.768   25.394  11.349  30.528  9.6329  -5.133530      14.88624 
1 1 1 -24 -22 30 o 31.049  8.9904  161.463    71.624   171.370    146.370  158.344    82.128   28.325  12.080  29.823  9.8064  -1.498381      15.55952 
1 1 1 -24 -22 31 o 71.218  5.5537  694.816    95.211   776.039    178.481  662.508    112.566  63.793  11.970  67.375  6.9872  -3.582245      13.86047 
1 1 1 -24 -22 32 o 65.004  5.5831  581.091    87.205   581.534    170.609  580.934    101.460  51.536  13.487  63.419  6.6946  -11.88349      15.05717 
1 1 1 -24 -22 33 o 59.174  5.7439  486.384    81.432   398.658    151.097  522.295    96.673   41.270  13.283  59.921  6.7677  -18.65144      14.90760 
1 1 1 -24 -22 34 o 24.384  8.7938  99.120     66.575   19.704     130.358  127.142    77.434   21.487  10.049  26.707  9.4999  -5.219810      13.82855 
1 1 1 -24 -22 35 o 24.650  9.7396  107.226    86.145   164.153    133.820  66.941     112.572  27.341  11.603  22.590  10.084  4.751081       15.37221 
1 1 1 -24 -22 36 o 18.750  8.4585  18.183     81.543   -60.0094   144.121  55.001     98.895   19.627  9.5414  21.461  9.5235  -1.834040      13.48092 
1 1 1 -24 -22 37 o 31.941  10.734  209.160    98.281   319.711    172.380  155.917    119.629  32.438  13.423  26.756  11.136  5.682051       17.44133 
1 1 1 -24 -22 38 o 35.688  9.4638  229.613    83.288   445.687    254.854  203.776    88.127   31.295  14.433  32.376  10.111  -1.080734      17.62236 
1 1 1 -24 -22 39 o 21.783  8.5898  77.863     66.881   202.984    148.217  45.873     74.945   27.570  11.960  19.622  8.5087  7.947498       14.67825 
1 1 1 -24 -22 40 o 19.399  8.1495  50.452     64.959   -5.2714    147.159  63.938     72.394   20.358  9.8345  20.614  8.6284  -0.2566414     13.08307 
1 1 1 -24 -22 41 o 16.511  7.7677  -16.7046   79.884   -109.3746  146.209  22.731     95.378   17.971  8.9055  19.078  8.8093  -1.107239      12.52645 
1 1 1 -24 -22 42 o 24.425  12.161  209.360    285.662  209.360    285.662  0.0000     0.0000   24.425  12.161  ?       ?       0.000000       12.16121 
1 1 1 -24 -22 43 o 20.541  10.376  -97.9112   249.074  -97.9112   249.074  0.0000     0.0000   20.541  10.376  ?       ?       0.000000       10.37638 
1 1 1 -24 -22 44 o 24.617  10.073  138.443    95.657   275.493    165.636  69.858     117.173  27.576  12.276  20.967  9.7106  6.609407       15.65271 
1 1 1 -24 -22 45 o 19.572  8.3580  60.890     70.229   152.940    161.949  39.571     77.938   23.262  10.979  18.500  8.3145  4.762283       13.77173 
1 1 1 -24 -22 46 o 18.124  8.1512  37.225     75.057   156.150    191.866  15.737     81.557   22.698  11.029  17.369  8.0645  5.328728       13.66251 
1 1 1 -24 -22 47 o 14.884  6.9942  -12.7162   64.463   -100.5324  153.855  5.9820     70.995   17.456  8.7276  16.236  7.5332  1.220613       11.52909 
1 1 1 -24 -22 48 o 23.449  8.3261  106.655    59.456   92.631     159.216  108.927    64.093   21.070  10.191  23.313  8.5944  -2.242483      13.33148 
1 1 1 -24 -22 49 o 14.413  6.8390  -21.8442   64.456   -36.5406   148.001  -18.4042   71.604   18.195  9.0064  15.136  7.1897  3.058632       11.52418 
1 1 1 -24 -22 50 o 21.752  7.5015  84.406     48.040   25.376     59.392   196.103    81.698   16.481  7.3431  29.678  9.7818  -13.19664      12.23128 
1 1 1 -24 -22 51 o 14.231  6.4184  5.6260     46.923   -34.1850   52.949   151.268    101.275  12.718  6.0804  24.149  10.162  -11.43141      11.84220 
1 1 1 -24 -22 52 o 10.292  5.0563  -64.0257   43.718   -41.0622   49.460   -146.0530  93.480   12.011  5.7773  13.430  6.7276  -1.419553      8.867790 
1 1 1 -24 -22 53 o 25.059  7.3262  108.862    47.357   160.399    58.391   9.8121     80.950   29.945  7.9161  16.917  7.9140  13.02714       11.19358 
1 1 1 -24 -22 54 o 16.430  7.5716  13.855     69.940   0.0000     0.0000   13.855     69.940   ?       ?       16.430  7.5716  0.000000       7.571608 
1 1 1 -24 -22 55 o 20.401  8.7857  82.773     78.801   0.0000     0.0000   82.773     78.801   ?       ?       20.401  8.7857  0.000000       8.785685 
1 1 1 -24 -22 56 o 17.642  8.4593  16.062     104.138  -273.1032  272.644  65.454     112.682  ?       ?       19.395  9.1550  0.000000       9.154962 
1 1 1 -24 -22 57 o 18.573  8.9201  50.235     116.837  93.569     267.845  40.052     129.841  ?       ?       18.479  8.9997  0.000000       8.999708 
1 1 1 -24 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -21 6  o 18.018  6.9260  43.769     42.602   0.0000     0.0000   43.769     42.602   ?       ?       18.018  6.9260  0.000000       6.925958 
1 1 1 -24 -21 7  o 23.066  6.6396  80.628     39.168   67.581     78.798   84.910     45.140   21.497  9.0002  23.297  7.2300  -1.800747      11.54459 
1 1 1 -24 -21 8  o 11.139  5.0591  -10.2400   29.759   -30.4835   68.779   -5.5773    33.009   15.385  7.2283  12.118  5.4311  3.267739       9.041293 
1 1 1 -24 -21 9  o 33.272  9.4265  194.301    79.570   351.394    179.570  155.919    88.760   34.596  13.930  28.664  10.174  5.932158       17.24960 
1 1 1 -24 -21 10 o 39.369  5.0112  210.073    46.785   288.883    91.554   182.220    54.427   41.389  9.3384  35.348  6.5881  6.041069       11.42848 
1 1 1 -24 -21 11 o 66.838  4.3085  585.021    69.501   454.983    130.520  636.485    82.109   49.660  11.110  68.938  4.9415  -19.27854      12.15926 
1 1 1 -24 -21 12 o 30.660  6.4778  136.361    46.680   424.448    106.830  68.376     51.897   51.447  8.8789  21.485  7.7617  29.96231       11.79313 
1 1 1 -24 -21 13 o 39.300  5.6181  213.079    52.049   265.564    114.299  199.348    58.463   36.600  11.529  37.047  6.7525  -0.4466972     13.36090 
1 1 1 -24 -21 14 o 33.654  6.7800  165.037    53.450   46.344     172.067  177.714    56.232   24.256  11.408  34.859  6.8923  -10.60305      13.32821 
1 1 1 -24 -21 15 o 24.835  8.0630  96.268     55.588   96.992     165.247  96.175     59.028   25.770  11.787  24.716  8.3189  1.053595       14.42732 
1 1 1 -24 -21 16 o 17.292  7.3425  22.230     53.645   -10.8610   166.009  26.088     56.686   22.715  10.834  17.876  7.5667  4.839394       13.21499 
1 1 1 -24 -21 17 o 34.383  8.2788  184.739    68.241   309.786    127.170  134.169    80.871   39.286  12.126  27.958  9.7277  11.32861       15.54570 
1 1 1 -24 -21 18 o 40.463  7.9410  248.311    75.180   351.185    145.656  210.952    87.777   40.334  13.048  35.030  9.8924  5.304314       16.37391 
1 1 1 -24 -21 19 o 99.490  4.7470  1299.43    114.594  1182.71    229.457  1338.22    132.270  79.638  12.269  99.588  5.4951  -19.94997      13.44296 
1 1 1 -24 -21 20 o 72.909  4.5071  694.393    79.344   769.898    134.501  654.093    98.263   71.910  7.8353  69.007  5.9260  2.902985       9.823982 
1 1 1 -24 -21 21 o 29.147  7.5097  128.219    53.440   196.658    90.689   91.814     66.144   33.418  10.228  24.297  8.7648  9.121315       13.46957 
1 1 1 -24 -21 22 o 42.555  6.5100  256.253    65.083   136.784    118.926  307.329    77.760   27.546  11.246  45.954  7.2112  -18.40776      13.35981 
1 1 1 -24 -21 23 o 46.311  6.2969  300.287    68.923   264.287    123.652  316.513    83.016   36.267  12.038  46.148  7.6841  -9.880905      14.28136 
1 1 1 -24 -21 24 o 25.643  9.8778  107.489    86.784   262.487    213.250  76.724     95.007   31.655  14.019  23.597  9.8814  8.058237       17.15136 
1 1 1 -24 -21 25 o 71.667  7.6879  759.495    131.599  841.888    271.276  734.137    150.494  51.727  17.827  67.600  9.4320  -15.87264      20.16810 
1 1 1 -24 -21 26 o 106.544 5.4107  1526.47    139.418  1931.47    334.870  1441.55    153.340  93.607  15.270  101.932 6.2297  -8.325165      16.49205 
1 1 1 -24 -21 27 o 59.863  6.2803  500.512    89.864   495.815    210.807  501.555    99.342   41.817  15.553  58.905  7.0931  -17.08868      17.09399 
1 1 1 -24 -21 28 o 27.975  8.9206  128.220    68.270   93.524     139.682  139.109    78.254   25.388  11.290  28.563  9.5786  -3.174957      14.80562 
1 1 1 -24 -21 29 f 19.944  8.1718  46.008     63.071   -128.2341  140.642  89.870     70.564   18.696  9.1612  23.997  8.9838  -5.300785      12.83108 
1 1 1 -24 -21 30 o 15.096  6.9342  -17.7422   58.020   -17.7331   120.306  -17.7450   66.231   20.327  9.5529  16.039  7.3826  4.287800       12.07314 
1 1 1 -24 -21 31 o 41.139  7.1510  248.732    68.790   287.398    134.310  234.982    80.092   36.373  12.543  38.205  8.8186  -1.832722      15.33280 
1 1 1 -24 -21 32 o 41.779  7.2885  258.788    71.199   373.432    136.948  216.322    83.349   42.481  12.470  35.728  9.4638  6.752167       15.65418 
1 1 1 -24 -21 33 o 57.688  5.8647  461.802    80.949   610.197    148.962  399.616    96.430   58.435  10.907  50.987  8.0625  7.447182       13.56363 
1 1 1 -24 -21 34 f 66.420  5.4005  601.448    86.282   529.658    155.370  633.461    103.751  50.873  12.642  66.573  6.5060  -15.70011      14.21806 
1 1 1 -24 -21 35 o 22.703  9.3519  77.331     83.150   152.590    132.779  28.776     106.651  27.206  11.552  20.937  9.5353  6.268961       14.97891 
1 1 1 -24 -21 36 o 32.050  10.553  199.238    95.098   -50.2119   159.915  335.720    118.286  20.789  10.094  41.117  11.439  -20.32798      15.25538 
1 1 1 -24 -21 37 o 14.518  7.1745  -131.5415  92.504   0.0000     0.0000   -131.5415  92.504   ?       ?       14.518  7.1745  0.000000       7.174544 
1 1 1 -24 -21 38 o 24.587  9.2680  106.916    75.349   407.192    244.243  75.332     79.212   31.599  14.406  22.066  9.1127  9.532969       17.04638 
1 1 1 -24 -21 39 o 19.437  8.1578  47.317     64.988   20.930     145.643  53.877     72.618   21.464  10.213  20.232  8.5642  1.231663       13.32823 
1 1 1 -24 -21 40 o 23.446  9.5491  99.205     85.475   73.355     139.694  114.675    108.066  22.687  10.540  24.244  10.361  -1.556986      14.77996 
1 1 1 -24 -21 41 o 17.458  7.4770  30.338     56.503   30.338     56.503   0.0000     0.0000   17.458  7.4770  ?       ?       0.000000       7.477022 
1 1 1 -24 -21 42 o 27.962  13.511  406.510    278.144  406.510    278.144  0.0000     0.0000   27.962  13.511  ?       ?       0.000000       13.51100 
1 1 1 -24 -21 43 o 29.694  10.860  205.487    102.043  112.790    267.751  221.239    110.373  23.343  11.647  30.013  11.236  -6.669756      16.18284 
1 1 1 -24 -21 44 o 27.918  7.5347  130.449    52.225   130.484    68.867   130.400    80.118   25.982  8.9803  25.127  9.5362  0.8546124      13.09904 
1 1 1 -24 -21 45 o 11.467  5.4018  -24.8329   38.878   67.573     53.154   -131.1383  57.012   20.147  7.7382  10.292  5.1691  9.854739       9.305909 
1 1 1 -24 -21 46 o 25.182  7.6736  110.915    51.123   84.428     64.183   156.886    84.555   21.422  8.4251  26.481  9.8498  -5.058649      12.96155 
1 1 1 -24 -21 47 o 14.582  6.3804  14.110     42.953   -54.3615   55.510   116.282    67.808   12.291  5.9626  24.041  8.8434  -11.75036      10.66573 
1 1 1 -24 -21 48 o 25.757  7.2275  112.741    47.010   59.933     66.091   166.820    66.881   19.225  8.1559  29.383  8.7376  -10.15792      11.95258 
1 1 1 -24 -21 49 o 18.324  7.1986  53.101     46.807   -10.0735   60.808   144.955    73.324   14.691  6.8682  26.091  9.2482  -11.40022      11.51955 
1 1 1 -24 -21 50 o 14.245  6.4014  6.3058     46.181   -3.4603    57.621   23.845     77.218   14.737  6.8197  17.416  7.9999  -2.679211      10.51220 
1 1 1 -24 -21 51 o 22.810  8.0728  97.322     55.850   94.171     66.263   105.051    103.780  21.915  8.5782  21.779  9.7049  0.1364136      12.95259 
1 1 1 -24 -21 52 o 10.141  4.9940  -67.9836   43.517   -54.0529   49.871   -112.4351  89.086   11.563  5.6192  13.834  6.8718  -2.270667      8.876733 
1 1 1 -24 -21 53 o 15.116  7.2788  -36.8841   79.027   0.0000     0.0000   -36.8841   79.027   ?       ?       15.116  7.2788  0.000000       7.278825 
1 1 1 -24 -21 54 o 26.417  9.9833  166.496    87.574   0.0000     0.0000   166.496    87.574   ?       ?       26.417  9.9833  0.000000       9.983298 
1 1 1 -24 -21 55 o 14.867  7.0838  -22.2875   70.603   -290.6750  248.762  1.2258     73.631   ?       ?       16.054  7.5219  0.000000       7.521939 
1 1 1 -24 -21 56 o 24.843  10.704  192.444    117.081  56.035     277.564  221.969    129.132  20.330  10.337  25.435  11.098  -5.104956      15.16620 
1 1 1 -24 -21 57 o 15.092  7.5118  -90.0639   108.659  182.581    254.486  -150.8507  120.163  20.874  10.538  14.643  7.3737  6.230574       12.86163 
1 1 1 -24 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -20 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -20 6  o 25.526  6.7386  98.278     42.349   0.0000     0.0000   98.278     42.349   ?       ?       25.526  6.7386  0.000000       6.738552 
1 1 1 -24 -20 7  o 14.160  5.9665  12.734     34.988   -118.3180  72.348   52.742     39.974   12.844  6.3466  19.260  6.8282  -6.416071      9.322274 
1 1 1 -24 -20 8  o 17.667  7.4361  28.505     54.253   86.252     71.607   -49.3149   83.126   23.305  8.9738  16.207  7.7127  7.097300       11.83277 
1 1 1 -24 -20 9  o 36.115  8.3674  207.291    71.886   6.3876     176.079  247.475    78.748   23.086  11.051  39.467  8.4763  -16.38136      13.92735 
1 1 1 -24 -20 10 o 36.218  5.4297  179.869    46.245   304.421    97.097   143.326    52.593   42.569  9.6262  30.975  7.1435  11.59328       11.98719 
1 1 1 -24 -20 11 o 18.012  6.4806  43.017     36.134   -5.2884    87.196   53.032     39.704   18.557  8.5156  19.493  6.8141  -0.9355965     10.90628 
1 1 1 -24 -20 12 o 25.291  6.7180  93.843     41.923   64.640     102.822  99.666     45.912   23.009  9.9719  25.835  7.1033  -2.825743      12.24320 
1 1 1 -24 -20 13 o 33.368  6.4865  159.105    50.627   -10.8400   166.188  176.489    53.153   22.834  10.877  35.207  6.4601  -12.37296      12.65068 
1 1 1 -24 -20 14 o 20.232  7.3257  56.618     46.268   93.291     94.780   45.145     53.013   24.671  10.053  19.332  7.6398  5.339151       12.62625 
1 1 1 -24 -20 15 o 29.526  7.8933  133.803    57.639   232.424    170.269  121.039    61.256   31.707  13.249  27.702  8.3904  4.004486       15.68204 
1 1 1 -24 -20 16 o 43.321  5.5946  255.422    57.432   143.022    108.654  299.002    67.656   28.197  10.999  46.397  6.1621  -18.20079      12.60750 
1 1 1 -24 -20 17 o 31.491  8.4685  155.817    66.112   55.658     130.074  190.704    76.768   23.873  10.734  34.355  9.0742  -10.48174      14.05589 
1 1 1 -24 -20 18 o 18.987  8.1033  28.491     65.941   36.800     113.722  24.283     80.937   22.419  10.062  19.856  8.7214  2.563330       13.31585 
1 1 1 -24 -20 19 o 44.613  6.4040  278.624    67.335   163.496    138.312  314.386    77.087   29.195  12.048  46.850  6.9954  -17.65512      13.93161 
1 1 1 -24 -20 20 o 50.273  5.4225  340.177    65.097   359.072    111.333  330.360    80.244   46.392  10.171  47.930  7.1159  -1.537743      12.41302 
1 1 1 -24 -20 21 o 69.101  4.8047  627.354    80.059   621.623    132.684  630.635    100.394  63.412  8.8659  67.627  6.1868  -4.214184      10.81110 
1 1 1 -24 -20 22 o 53.138  5.8061  384.900    73.642   427.845    136.105  367.123    87.567   48.525  11.697  50.258  7.4024  -1.733028      13.84226 
1 1 1 -24 -20 23 o 69.379  5.1069  638.567    85.367   565.149    158.991  668.306    101.190  55.384  12.164  69.833  6.0311  -14.44944      13.57702 
1 1 1 -24 -20 24 o 30.106  10.493  160.079    94.115   373.520    214.575  109.236    104.727  36.592  15.042  26.088  10.591  10.50325       18.39667 
1 1 1 -24 -20 25 o 19.890  8.7354  24.261     81.180   24.098     195.848  24.295     89.204   25.041  11.894  20.448  9.0607  4.593777       14.95166 
1 1 1 -24 -20 26 o 27.874  10.456  134.323    95.666   175.707    221.851  124.870    106.031  29.316  13.501  27.082  10.772  2.234409       17.27159 
1 1 1 -24 -20 27 o 26.125  8.5897  107.443    63.014   -102.7700  133.272  167.969    71.512   19.015  9.2280  32.383  8.8493  -13.36775      12.78541 
1 1 1 -24 -20 28 o 35.913  7.8532  194.682    66.526   26.819     129.615  254.720    77.515   22.687  10.400  41.008  8.0777  -18.32071      13.16867 
1 1 1 -24 -20 29 o 58.571  5.6175  465.580    78.855   600.112    143.928  407.875    94.262   59.952  10.263  52.612  7.6046  7.340069       12.77346 
1 1 1 -24 -20 30 o 23.884  8.5672  87.557     63.102   38.028     123.291  105.136    73.451   22.738  10.316  25.539  9.2327  -2.800386      13.84394 
1 1 1 -24 -20 31 o 22.858  8.5560  77.660     63.997   110.215    123.271  65.648     74.879   25.989  11.085  22.118  8.9639  3.870171       14.25586 
1 1 1 -24 -20 32 o 21.113  8.2493  60.481     61.196   76.524     124.875  55.410     70.204   24.283  10.742  21.079  8.6274  3.204090       13.77771 
1 1 1 -24 -20 33 o 16.985  7.4880  9.5847     60.170   -5.5435    125.072  14.140     68.634   20.982  9.8223  18.059  7.9775  2.923450       12.65377 
1 1 1 -24 -20 34 o 26.898  8.7088  118.524    64.878   -42.5259   128.400  173.738    75.182   19.924  9.5099  32.164  9.1804  -12.24058      13.21805 
1 1 1 -24 -20 35 o 41.031  9.2080  278.217    89.421   216.371    136.727  324.443    118.206  31.044  12.269  40.980  11.447  -9.935610      16.77990 
1 1 1 -24 -20 36 o 10.219  5.0570  -89.9402   46.548   -100.7439  53.203   -54.6752   96.122   10.896  5.3947  17.160  8.2011  -6.263976      9.816394 
1 1 1 -24 -20 37 o 22.845  9.9824  72.182     104.828  0.0000     0.0000   72.182     104.828  ?       ?       22.845  9.9824  0.000000       9.982438 
1 1 1 -24 -20 38 o 19.522  8.3446  41.231     70.129   -147.3484  235.861  59.520     73.450   21.597  10.799  20.961  8.7253  0.6354485      13.88342 
1 1 1 -24 -20 39 o 27.659  8.0443  125.521    57.228   144.993    66.362   69.030     113.033  29.063  8.7176  22.501  10.070  6.561241       13.31927 
1 1 1 -24 -20 40 o 19.214  7.8439  48.403     57.844   48.403     57.844   0.0000     0.0000   19.214  7.8439  ?       ?       0.000000       7.843920 
1 1 1 -24 -20 41 o 19.384  7.9941  50.325     60.846   50.325     60.846   0.0000     0.0000   19.384  7.9941  ?       ?       0.000000       7.994147 
1 1 1 -24 -20 42 o 28.225  10.872  180.284    105.143  -17.3790   259.389  219.147    115.015  22.469  11.248  30.208  11.435  -7.739143      16.03996 
1 1 1 -24 -20 43 o 14.270  6.7763  -35.3912   63.515   48.848     248.917  -41.2579   65.689   22.819  11.360  14.256  6.8039  8.562893       13.24169 
1 1 1 -24 -20 44 o 19.197  6.9952  56.718     42.284   132.586    61.227   -12.4605   58.466   27.194  8.4173  14.739  6.8380  12.45468       10.84472 
1 1 1 -24 -20 45 o 15.572  6.5401  24.422     41.816   44.345     59.184   4.5631     59.088   18.323  7.7424  15.642  7.1136  2.680396       10.51418 
1 1 1 -24 -20 46 o 16.653  7.0078  32.247     48.163   57.623     60.483   -11.7277   79.621   19.279  7.9624  16.341  7.7078  2.938511       11.08198 
1 1 1 -24 -20 47 o 18.889  7.0769  56.690     43.804   127.735    60.988   -19.0099   62.955   26.065  8.4442  14.612  6.8806  11.45286       10.89250 
1 1 1 -24 -20 48 o 9.3700  4.6202  -63.8729   37.625   -72.2205   56.470   -57.2084   50.457   11.786  5.7811  11.555  5.6237  0.2309361      8.065192 
1 1 1 -24 -20 49 f 12.132  5.6969  -21.3149   42.633   -50.4200   53.057   31.720     71.621   12.134  5.8727  17.675  7.9546  -5.540381      9.887563 
1 1 1 -24 -20 50 o 16.267  6.9358  29.836     48.227   -14.5348   61.864   98.572     76.999   14.623  6.8652  22.024  9.0273  -7.401680      11.34123 
1 1 1 -24 -20 51 o 17.785  7.4413  44.658     53.815   76.555     61.589   -58.3017   110.653  20.606  8.2056  16.531  8.1054  4.074982       11.53385 
1 1 1 -24 -20 52 o 15.909  7.7145  -43.8554   92.637   0.0000     0.0000   -43.8554   92.637   ?       ?       15.909  7.7145  0.000000       7.714468 
1 1 1 -24 -20 53 o 14.815  7.1442  -42.6578   76.813   0.0000     0.0000   -42.6578   76.813   ?       ?       14.815  7.1442  0.000000       7.144242 
1 1 1 -24 -20 54 o 31.949  10.462  236.734    93.509   0.0000     0.0000   236.734    93.509   ?       ?       31.949  10.462  0.000000       10.46181 
1 1 1 -24 -20 55 o 16.767  6.9724  37.544     46.836   83.345     57.673   -51.1634   80.263   21.171  8.0773  14.682  7.1337  6.488298       10.77648 
1 1 1 -24 -20 56 f 18.591  8.8243  34.205     107.471  -89.7507   260.423  59.649     117.987  ?       ?       19.603  9.2874  0.000000       9.287397 
1 1 1 -24 -20 57 o 21.123  9.8017  117.801    120.237  242.194    273.208  87.921     133.901  21.561  10.889  20.089  9.6221  1.471041       14.53098 
1 1 1 -24 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -19 6  f 13.925  5.7323  14.917     31.215   -66.1407   83.316   28.153     33.667   15.657  7.5232  15.802  6.1340  -0.1445284     9.706905 
1 1 1 -24 -19 7  o 13.059  5.5410  7.7523     30.516   68.336     69.443   -6.7469    33.972   21.903  8.7159  12.292  5.5094  9.611027       10.31116 
1 1 1 -24 -19 8  o 15.190  6.4358  13.992     41.066   70.490     61.537   -31.3718   55.141   21.986  8.3542  13.984  6.5386  8.001499       10.60882 
1 1 1 -24 -19 9  o 21.574  8.1506  66.330     58.359   26.469     159.026  72.534     62.737   23.509  11.028  22.285  8.4431  1.224678       13.88867 
1 1 1 -24 -19 10 o 11.614  5.2212  -8.4487    30.756   115.052    83.243   -27.9733   33.098   26.255  9.7717  10.643  5.0048  15.61117       10.97879 
1 1 1 -24 -19 11 o 37.697  5.2702  191.926    46.888   174.075    96.582   197.431    53.632   30.971  10.639  37.641  6.0793  -6.670271      12.25335 
1 1 1 -24 -19 12 f 60.328  5.4991  490.978    79.611   727.517    176.927  430.928    89.146   63.250  11.967  55.068  6.8174  8.181656       13.77237 
1 1 1 -24 -19 13 o 82.973  4.6441  899.507    93.122   729.223    190.212  953.187    106.796  61.196  13.198  84.622  5.2268  -23.42611      14.19535 
1 1 1 -24 -19 14 o 39.697  5.5884  214.178    52.338   164.077    102.763  231.726    60.816   30.119  10.916  40.696  6.3677  -10.57669      12.63728 
1 1 1 -24 -19 15 f 27.236  6.9253  108.080    45.869   43.199     96.606   126.964    52.119   21.975  9.5932  29.282  7.3476  -7.306341      12.08374 
1 1 1 -24 -19 16 o 39.568  5.7448  213.641    53.542   176.959    106.119  226.169    62.014   31.127  11.116  40.043  6.6134  -8.916378      12.93440 
1 1 1 -24 -19 17 o 53.254  7.3295  408.600    92.199   322.931    148.669  462.142    117.531  39.107  13.202  54.304  9.2514  -15.19767      16.12094 
1 1 1 -24 -19 18 o 39.601  8.9973  246.363    84.488   195.896    136.607  277.625    107.517  31.438  12.314  39.872  10.832  -8.434750      16.39988 
1 1 1 -24 -19 19 o 43.583  6.0667  261.237    62.416   77.143     105.496  360.379    77.419   24.355  10.317  50.945  6.4045  -26.58990      12.14300 
1 1 1 -24 -19 20 o 25.383  8.1184  97.718     56.511   145.220    99.481   75.088     68.665   28.946  10.700  23.042  8.8081  5.903770       13.85926 
1 1 1 -24 -19 21 o 75.372  4.7913  743.161    87.169   791.403    150.017  718.570    107.106  72.094  8.7555  72.446  6.1512  -0.3516693     10.70029 
1 1 1 -24 -19 22 o 75.232  5.1826  749.431    94.028   664.913    166.776  788.815    113.847  61.747  11.556  75.787  6.2467  -14.03995      13.13654 
1 1 1 -24 -19 23 o 14.922  6.9924  -38.8228   63.654   -10.0075   121.638  -49.6902   74.699   21.206  9.8468  15.758  7.4428  5.448459       12.34324 
1 1 1 -24 -19 24 o 29.382  10.995  152.853    105.675  -191.5608  226.667  248.503    119.451  22.387  11.093  36.172  11.823  -13.78528      16.21255 
1 1 1 -24 -19 25 f 33.845  10.998  206.376    103.406  95.885     224.717  236.057    116.470  27.712  13.034  35.368  11.680  -7.656940      17.50194 
1 1 1 -24 -19 26 o 44.753  7.5240  292.006    78.804   468.765    221.362  266.354    84.328   41.121  15.792  41.606  8.6360  -0.4849930     17.99922 
1 1 1 -24 -19 27 o 36.375  7.7165  196.579    65.995   236.047    127.677  182.190    77.093   34.462  12.205  33.609  9.1896  0.8529396      15.27771 
1 1 1 -24 -19 28 o 38.156  7.4751  213.646    66.731   282.963    124.658  185.804    79.004   38.286  12.037  33.777  9.3307  4.508801       15.22982 
1 1 1 -24 -19 29 o 41.925  6.9661  251.706    68.376   299.800    134.936  235.090    79.313   38.481  12.566  38.919  8.6255  -0.4381638     15.24132 
1 1 1 -24 -19 30 o 81.545  5.0286  879.351    99.012   856.856    174.047  890.114    120.392  72.021  10.249  80.315  6.2265  -8.294312      11.99189 
1 1 1 -24 -19 31 o 78.385  4.9575  811.785    93.803   1199.44    168.459  637.573    112.930  90.229  7.7704  66.691  7.0873  23.53722       10.51708 
1 1 1 -24 -19 32 o 24.454  7.0918  88.486     44.536   135.811    58.358   22.482     68.918   29.717  7.9415  18.759  8.1469  10.95802       11.37719 
1 1 1 -24 -19 33 o 18.600  7.1605  42.722     45.585   37.894     61.144   48.764     68.398   19.228  7.9788  20.538  8.4735  -1.309452      11.63883 
1 1 1 -24 -19 34 o 18.462  7.1521  41.746     45.699   -0.6855    60.757   97.024     69.347   16.431  7.3661  24.690  8.9641  -8.259350      11.60237 
1 1 1 -24 -19 35 o 23.502  8.2399  85.354     58.078   94.945     67.527   58.096     113.838  24.409  8.8482  22.964  10.203  1.444693       13.50510 
1 1 1 -24 -19 36 o 23.291  8.1972  84.209     57.507   105.161    68.514   34.255     105.790  25.294  8.9424  21.402  9.6464  3.892401       13.15374 
1 1 1 -24 -19 37 o 22.082  9.8265  51.907     106.002  0.0000     0.0000   51.907     106.002  ?       ?       22.082  9.8265  0.000000       9.826520 
1 1 1 -24 -19 38 o 36.974  8.7841  225.178    77.640   225.178    77.640   0.0000     0.0000   36.974  8.7841  ?       ?       0.000000       8.784119 
1 1 1 -24 -19 39 f 23.631  8.7355  92.246     66.302   92.246     66.302   0.0000     0.0000   23.631  8.7355  ?       ?       0.000000       8.735523 
1 1 1 -24 -19 40 o 28.085  9.1689  140.638    71.844   140.638    71.844   0.0000     0.0000   28.085  9.1689  ?       ?       0.000000       9.168878 
1 1 1 -24 -19 41 o 29.701  7.3882  138.989    53.024   221.298    70.239   29.926     80.852   37.006  8.0513  19.169  8.5523  17.83678       11.74587 
1 1 1 -24 -19 42 o 15.625  7.2843  -17.9240   67.633   -87.7145   241.286  -11.9731   70.458   21.637  10.834  16.164  7.5016  5.473043       13.17787 
1 1 1 -24 -19 43 o 23.469  9.1497  100.489    75.157   116.019    255.919  99.023     78.624   24.082  11.907  23.284  9.2715  0.7974110      15.09068 
1 1 1 -24 -19 44 o 18.267  6.9472  48.212     42.577   40.966     61.339   54.949     59.147   18.402  7.8336  19.426  7.9313  -1.024220      11.14766 
1 1 1 -24 -19 45 o 10.339  5.0112  -48.3875   38.981   -29.8667   52.754   -70.6636   57.855   13.207  6.2430  12.180  5.9485  1.026709       8.623191 
1 1 1 -24 -19 46 o 27.561  7.2966  125.339    49.563   184.465    67.573   56.491     72.917   32.039  8.5378  19.606  8.4473  12.43319       12.01048 
1 1 1 -24 -19 47 f 30.488  7.5452  156.083    55.516   153.805    75.388   158.783    82.058   27.349  9.3991  27.102  9.7645  0.2471237      13.55322 
1 1 1 -24 -19 48 o 17.347  7.1005  41.105     47.557   -16.0909   61.326   127.394    75.325   14.603  6.8493  24.715  9.2762  -10.11214      11.53088 
1 1 1 -24 -19 49 o 21.607  7.7296  82.285     51.333   126.285    67.319   21.155     79.348   25.174  8.8679  17.597  8.0927  7.576784       12.00552 
1 1 1 -24 -19 50 o 29.976  7.5279  152.701    54.677   126.910    68.703   197.258    90.302   25.074  8.9451  29.158  10.271  -4.083826      13.62007 
1 1 1 -24 -19 51 o 17.113  8.1900  -13.7386   96.565   0.0000     0.0000   -13.7386   96.565   ?       ?       17.113  8.1900  0.000000       8.189951 
1 1 1 -24 -19 52 o 23.033  10.198  125.943    112.784  0.0000     0.0000   125.943    112.784  ?       ?       23.033  10.198  0.000000       10.19796 
1 1 1 -24 -19 53 o 22.066  9.0129  96.176     76.420   53.714     268.323  99.924     79.721   21.566  10.879  22.259  9.1617  -0.6933956     14.22293 
1 1 1 -24 -19 54 o 22.424  7.6503  88.768     49.926   96.336     63.106   76.106     81.628   22.459  8.4778  20.577  8.9014  1.882172       12.29266 
1 1 1 -24 -19 55 o 16.129  7.8728  -50.9061   100.946  -221.5137  229.488  -9.9757    112.405  ?       ?       17.782  8.5913  0.000000       8.591303 
1 1 1 -24 -19 56 o 16.064  7.9184  -66.9247   110.246  -49.4458   251.349  -71.0884   122.676  19.696  9.9970  16.567  8.2004  3.129454       12.93006 
1 1 1 -24 -19 57 o 20.896  9.7233  106.673    119.615  223.235    273.450  79.092     133.016  21.604  10.908  20.001  9.5826  1.602131       14.51966 
1 1 1 -24 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -18 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -18 6  o 10.759  4.8145  -6.6142    25.827   -25.8218   58.605   -1.9848    28.771   14.731  6.8382  11.794  5.1896  2.936587       8.584525 
1 1 1 -24 -18 7  o 37.466  4.7149  186.304    41.913   197.492    85.017   182.712    48.175   33.948  9.7849  36.467  5.6254  -2.519283      11.28666 
1 1 1 -24 -18 8  o 36.438  7.8796  201.077    67.637   215.796    140.349  196.624    77.193   31.832  12.478  34.833  9.0508  -3.001375      15.41448 
1 1 1 -24 -18 9  o 35.027  8.4258  190.903    70.738   -164.4855  154.675  284.893    79.545   19.052  9.3891  43.760  7.7764  -24.70775      12.19133 
1 1 1 -24 -18 10 o 32.908  5.7882  149.274    44.531   418.653    96.485   76.364     50.196   53.392  7.6677  22.785  7.6714  30.60684       10.84639 
1 1 1 -24 -18 11 o 13.117  5.8133  -3.9425    36.735   -48.3343   80.960   7.5663     41.222   16.438  7.7593  14.779  6.3596  1.658593       10.03249 
1 1 1 -24 -18 12 o 16.968  6.7738  28.976     42.068   53.824     83.091   20.411     48.782   21.956  9.2200  16.843  7.0684  5.112415       11.61763 
1 1 1 -24 -18 13 f 63.584  4.3734  523.134    67.062   562.276    122.512  506.387    80.134   61.062  8.4993  61.544  5.4216  -0.4824409     10.08125 
1 1 1 -24 -18 14 o 60.717  4.5021  478.635    65.854   490.227    122.627  473.937    78.067   55.939  9.3657  59.511  5.4674  -3.572937      10.84482 
1 1 1 -24 -18 15 o 29.094  7.3088  124.269    51.529   228.610    100.662  87.217     59.985   36.253  10.705  24.180  8.3799  12.07306       13.59458 
1 1 1 -24 -18 16 o 33.003  6.5204  153.437    50.362   161.707    84.721   148.918    62.629   31.119  9.9390  31.293  8.1629  -0.1738300     12.86143 
1 1 1 -24 -18 17 o 26.518  9.2646  110.439    73.389   86.742     118.681  125.111    93.385   25.447  10.866  27.607  10.335  -2.160465      14.99603 
1 1 1 -24 -18 18 o 27.614  9.4407  121.947    76.031   111.720    119.200  128.962    98.721   26.856  11.142  27.889  10.585  -1.032764      15.36844 
1 1 1 -24 -18 19 o 17.006  7.2148  17.665     51.726   149.466    97.381   -34.1367   61.051   29.550  10.638  14.865  6.9268  14.68537       12.69456 
1 1 1 -24 -18 20 o 24.226  8.2048  87.062     57.422   81.237     109.206  89.288     67.508   24.907  10.520  24.484  8.8513  0.4230118      13.74858 
1 1 1 -24 -18 21 o 35.150  7.6920  182.046    63.781   177.295    115.313  184.141    76.558   31.196  11.523  34.133  9.0840  -2.936752      14.67276 
1 1 1 -24 -18 22 o 19.642  7.9887  40.426     59.716   29.082     118.685  44.271     69.100   22.734  10.235  20.608  8.5109  2.126486       13.31128 
1 1 1 -24 -18 23 o 20.790  8.0666  54.228     58.202   -13.1228   105.852  83.414     69.680   20.171  9.3022  23.948  8.9349  -3.777248      12.89822 
1 1 1 -24 -18 24 o 23.604  10.073  63.418     101.885  -84.8497   218.056  104.826    115.237  24.016  11.689  26.398  10.954  -2.382816      16.01928 
1 1 1 -24 -18 25 o 36.447  11.791  247.930    118.946  -30.3740   226.361  354.086    139.803  25.296  12.215  42.903  12.600  -17.60667      17.54886 
1 1 1 -24 -18 26 o 24.324  8.5885  88.336     63.178   111.390    111.717  77.496     76.604   26.687  10.899  23.562  9.2231  3.124756       14.27742 
1 1 1 -24 -18 27 o 17.336  7.5554  11.058     59.703   132.691    112.722  -36.3676   70.386   28.013  11.118  15.874  7.4106  12.13853       13.36147 
1 1 1 -24 -18 28 o 65.955  6.2423  597.323    98.709   649.283    255.272  588.188    107.035  47.075  17.182  64.587  6.9387  -17.51277      18.53042 
1 1 1 -24 -18 29 o 71.418  4.4698  661.193    77.067   630.649    107.104  693.988    110.978  67.214  6.6547  70.671  6.5462  -3.457481      9.334778 
1 1 1 -24 -18 30 o 20.667  7.3040  59.041     45.704   81.852     56.995   17.951     76.495   23.507  8.1672  19.264  8.4697  4.242622       11.76600 
1 1 1 -24 -18 31 o 13.271  6.0226  -13.4300   42.069   -36.5951   52.477   28.231     70.375   13.491  6.3304  19.390  8.3257  -5.898925      10.45901 
1 1 1 -24 -18 32 o 31.496  7.2026  145.613    53.848   196.424    70.998   76.801     82.622   35.706  8.3448  23.449  9.4464  12.25704       12.60438 
1 1 1 -24 -18 33 o 41.516  5.6629  235.174    55.557   201.652    76.303   272.998    81.051   35.597  8.8672  42.424  8.1701  -6.827194      12.05727 
1 1 1 -24 -18 34 o 44.677  5.4935  270.827    58.297   298.388    80.617   240.618    84.403   44.815  7.6908  38.613  9.1488  6.201164       11.95199 
1 1 1 -24 -18 35 o 28.127  8.2392  124.612    59.844   133.945    70.573   100.722    112.907  28.490  9.0683  25.328  10.698  3.162212       14.02409 
1 1 1 -24 -18 36 o 36.734  7.5918  203.155    65.429   207.811    80.007   193.755    113.689  35.428  9.2187  31.191  11.454  4.237566       14.70317 
1 1 1 -24 -18 37 o 50.119  7.8595  381.053    92.434   381.053    92.434   0.0000     0.0000   50.119  7.8595  ?       ?       0.000000       7.859455 
1 1 1 -24 -18 38 o 24.146  8.9435  94.847     69.564   94.847     69.564   0.0000     0.0000   24.146  8.9435  ?       ?       0.000000       8.943503 
1 1 1 -24 -18 39 o 16.054  7.2378  -0.9465    59.594   -0.9465    59.594   0.0000     0.0000   16.054  7.2378  ?       ?       0.000000       7.237825 
1 1 1 -24 -18 40 o 35.370  6.7519  185.320    55.832   185.044    71.994   185.738    88.435   33.120  8.8065  31.289  10.171  1.830143       13.45337 
1 1 1 -24 -18 41 o 29.953  7.3974  140.400    53.445   180.891    72.500   92.208     79.095   32.355  8.9386  23.332  9.2965  9.023209       12.89662 
1 1 1 -24 -18 42 o 23.722  10.175  101.407    104.907  637.132    260.014  -2.7579    114.654  36.804  15.904  19.535  9.2251  17.26928       18.38593 
1 1 1 -24 -18 43 o 23.293  10.011  98.559     101.927  -73.6976   257.469  130.573    110.996  22.008  11.044  25.008  10.587  -2.999830      15.29918 
1 1 1 -24 -18 44 o 11.480  5.5178  -45.5458   44.902   -83.6031   59.270   5.7162     68.788   12.022  5.9021  16.771  7.6458  -4.749836      9.658850 
1 1 1 -24 -18 45 o 15.654  6.8635  15.193     49.934   41.251     69.623   -12.4073   71.655   18.769  8.1699  15.999  7.4716  2.770101       11.07124 
1 1 1 -24 -18 46 o 30.234  7.7155  153.372    56.789   192.138    76.834   106.694    84.310   31.546  9.3617  23.192  9.4691  8.353540       13.31559 
1 1 1 -24 -18 47 o 40.641  6.4122  251.230    61.136   300.134    84.727   198.111    88.302   41.012  8.7793  30.151  10.175  10.86131       13.43872 
1 1 1 -24 -18 48 o 21.002  8.0447  77.079     57.350   73.038     76.129   82.382     87.207   20.593  8.7456  21.225  9.1912  -0.6325474     12.68721 
1 1 1 -24 -18 49 o 28.286  7.9765  141.402    57.113   154.816    73.297   120.670    91.120   27.576  9.2701  23.439  9.7343  4.136862       13.44216 
1 1 1 -24 -18 50 o 21.700  9.3984  93.092     91.213   0.0000     0.0000   93.092     91.213   ?       ?       21.700  9.3984  0.000000       9.398379 
1 1 1 -24 -18 51 f 18.365  8.6748  13.949     101.491  0.0000     0.0000   13.949     101.491  ?       ?       18.365  8.6748  0.000000       8.674782 
1 1 1 -24 -18 52 o 16.221  7.8633  -45.4675   96.033   0.0000     0.0000   -45.4675   96.033   ?       ?       16.221  7.8633  0.000000       7.863311 
1 1 1 -24 -18 53 o 12.578  5.8350  -14.7619   42.563   -18.6153   51.457   -6.4136    75.739   13.474  6.3052  16.243  7.6163  -2.768600      9.887549 
1 1 1 -24 -18 54 o 20.605  7.2471  71.111     44.943   44.787     53.142   137.230    84.222   17.893  7.4326  24.902  9.6920  -7.009325      12.21391 
1 1 1 -24 -18 55 o 18.718  8.9566  15.542     115.413  -375.0833  260.029  111.374    128.794  ?       ?       22.022  10.193  0.000000       10.19262 
1 1 1 -24 -18 56 o 19.118  9.1005  37.407     115.910  -9.2913    262.983  48.665     129.129  20.291  10.291  19.696  9.4376  0.5957165      13.96362 
1 1 1 -24 -18 57 o 23.008  10.243  152.740    115.331  326.211    276.478  116.196    126.899  22.797  11.441  21.285  9.9414  1.511034       15.15650 
1 1 1 -24 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -17 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -17 5  o 21.795  7.6535  69.347     50.116   0.0000     0.0000   69.347     50.116   ?       ?       21.795  7.6535  0.000000       7.653540 
1 1 1 -24 -17 6  o 32.279  5.1772  140.801    39.179   139.009    78.359   141.398    45.239   28.737  9.5850  31.752  6.0935  -3.015205      11.35791 
1 1 1 -24 -17 7  o 32.308  5.1667  140.703    39.138   87.695     80.412   157.159    44.804   24.202  9.4562  33.864  5.6519  -9.661936      11.01655 
1 1 1 -24 -17 8  o 30.110  8.3786  141.092    63.454   29.053     143.938  168.118    70.694   23.577  10.864  32.612  8.7515  -9.034910      13.95039 
1 1 1 -24 -17 9  o 18.499  6.6086  44.676     37.512   9.9168     123.814  48.189     39.362   22.033  10.124  19.056  6.7737  2.977095       12.18120 
1 1 1 -24 -17 10 o 14.852  5.9539  19.420     32.648   62.025     78.677   10.557     35.883   22.381  9.1437  14.335  6.0414  8.046349       10.95931 
1 1 1 -24 -17 11 o 15.142  6.3632  13.311     39.626   11.617     78.551   13.889     45.893   19.149  8.4930  15.993  6.7912  3.156066       10.87434 
1 1 1 -24 -17 12 o 50.197  4.9461  331.649    59.460   421.444    136.684  310.690    66.036   48.755  11.703  47.892  5.8011  0.8630409      13.06159 
1 1 1 -24 -17 13 o 63.326  4.3779  517.593    66.857   383.692    123.055  573.671    79.635   47.630  10.885  66.086  5.0034  -18.45546      11.98015 
1 1 1 -24 -17 14 o 14.950  6.4835  4.7985     43.520   135.013    85.935   -40.1153   50.470   28.674  10.025  13.084  6.1611  15.58973       11.76676 
1 1 1 -24 -17 15 f 15.956  6.6574  17.017     42.905   -37.3628   78.627   40.076     51.200   16.806  7.8412  19.005  7.5089  -2.199432      10.85668 
1 1 1 -24 -17 16 o 11.089  5.3058  -46.7067   40.491   -112.3491  68.648   -11.6846   50.142   12.909  6.3405  14.688  6.6289  -1.779611      9.173075 
1 1 1 -24 -17 17 o 15.265  7.2161  -52.2584   70.494   -103.7885  139.957  -34.7414   81.601   19.857  9.5921  17.246  8.0270  2.610897       12.50766 
1 1 1 -24 -17 18 o 41.188  9.7217  271.227    95.596   392.685    171.480  216.460    115.149  42.707  14.176  34.450  11.619  8.257023       18.32928 
1 1 1 -24 -17 19 o 41.313  6.2791  234.958    60.962   251.779    107.072  226.890    74.155   38.149  10.977  39.126  8.0787  -0.9768372     13.62913 
1 1 1 -24 -17 20 o 65.722  4.8476  563.552    76.759   481.527    130.819  606.619    94.791   54.712  10.230  67.116  5.8800  -12.40469      11.79989 
1 1 1 -24 -17 21 o 59.831  5.1826  472.093    74.494   399.377    120.815  516.697    94.623   49.502  10.390  61.302  6.4587  -11.79966      12.23360 
1 1 1 -24 -17 22 o 53.396  5.9392  385.834    75.645   298.754    132.919  427.549    91.997   39.676  12.422  55.137  7.0370  -15.46085      14.27674 
1 1 1 -24 -17 23 o 45.787  6.7231  292.562    72.467   300.315    126.027  288.732    88.575   40.463  11.986  43.689  8.6616  -3.225800      14.78771 
1 1 1 -24 -17 24 o 25.007  10.474  81.995     106.796  272.795    207.550  13.286     124.549  34.136  14.466  22.524  10.276  11.61141       17.74409 
1 1 1 -24 -17 25 o 25.212  10.444  86.829     104.515  -7.1441    211.025  117.372    120.307  25.539  12.191  27.367  11.258  -1.827698      16.59391 
1 1 1 -24 -17 26 o 21.893  7.3283  67.709     45.804   78.240     58.224   50.609     74.194   23.298  8.2429  21.458  8.8359  1.839664       12.08383 
1 1 1 -24 -17 27 o 10.468  5.0908  -62.5715   41.140   -111.7554  50.481   34.690     70.988   10.327  5.1368  20.075  8.4809  -9.748230      9.915220 
1 1 1 -24 -17 28 o 67.275  4.6027  587.468    74.681   563.281    103.156  614.107    108.260  63.510  6.7997  66.294  6.8278  -2.783997      9.636113 
1 1 1 -24 -17 29 o 50.249  5.2599  335.588    63.182   327.020    84.754   346.305    94.791   47.482  7.6137  48.017  8.4442  -0.5349770     11.36977 
1 1 1 -24 -17 30 o 15.669  6.7796  7.7211     47.370   -8.9050    60.754   33.503     75.655   16.178  7.2995  20.260  8.6640  -4.082066      11.32903 
1 1 1 -24 -17 31 o 17.283  7.1007  26.077     47.783   56.287     61.309   -20.6685   76.264   21.076  8.2509  17.227  7.9269  3.848902       11.44169 
1 1 1 -24 -17 32 o 89.181  6.9240  1120.72    148.654  1311.37    183.755  759.625    252.884  94.095  8.1281  52.828  17.200  41.26782       19.02374 
1 1 1 -24 -17 33 o 23.386  7.8775  81.083     52.930   24.868     67.946   167.852    84.415   18.963  8.1623  31.483  9.9063  -12.51995      12.83580 
1 1 1 -24 -17 34 o 39.040  6.4422  214.424    58.897   246.040    74.403   161.367    96.385   40.596  7.8373  30.095  10.610  10.50105       13.19078 
1 1 1 -24 -17 35 o 39.216  7.9642  232.428    73.196   197.486    83.728   345.698    150.749  34.290  9.6539  39.781  13.295  -5.491947      16.43017 
1 1 1 -24 -17 36 o 33.103  9.4126  183.290    79.188   183.290    79.188   0.0000     0.0000   33.103  9.4126  ?       ?       0.000000       9.412583 
1 1 1 -24 -17 37 f 36.034  9.4047  217.079    83.106   217.079    83.106   0.0000     0.0000   36.034  9.4047  ?       ?       0.000000       9.404732 
1 1 1 -24 -17 38 o 25.142  8.9864  103.723    69.369   103.723    69.369   0.0000     0.0000   25.142  8.9864  ?       ?       0.000000       8.986365 
1 1 1 -24 -17 39 o 29.416  8.3548  140.479    62.426   59.474     83.929   240.785    93.394   21.622  9.1827  36.583  10.160  -14.96125      13.69448 
1 1 1 -24 -17 40 o 21.740  8.1661  71.893     58.398   112.798    84.888   35.140     80.463   25.268  9.7591  19.817  8.7003  5.450624       13.07424 
1 1 1 -24 -17 41 o 40.721  6.9115  246.839    65.848   279.194    92.040   212.915    94.245   39.901  9.6191  33.135  10.472  6.766502       14.21951 
1 1 1 -24 -17 42 o 22.500  9.6243  79.034     93.398   -69.1852   252.207  102.591    100.547  22.522  11.248  23.961  10.106  -1.439102      15.12108 
1 1 1 -24 -17 43 o 18.846  8.7671  5.1312     97.140   70.889     250.509  -6.5063    105.385  23.982  11.843  18.867  8.8899  5.114540       14.80826 
1 1 1 -24 -17 44 o 23.752  8.3719  97.589     60.006   120.737    82.337   71.368     87.633   24.992  9.6230  21.495  9.2609  3.497314       13.35535 
1 1 1 -24 -17 45 f 12.149  5.8673  -54.0589   52.282   -50.0020   72.599   -58.4295   75.353   14.625  7.0259  14.594  7.0469  0.3060436E-01  9.950976 
1 1 1 -24 -17 46 o 13.986  6.5048  -16.4920   53.435   -72.6105   74.077   44.389     77.156   13.920  6.7836  19.210  8.4736  -5.289356      10.85445 
1 1 1 -24 -17 47 o 23.671  8.3886  102.185    60.324   104.515    88.792   100.188    82.209   22.866  9.5621  22.691  9.3173  0.1745872      13.35088 
1 1 1 -24 -17 48 o 22.399  8.4225  91.857     62.154   36.016     80.948   172.066    97.017   18.639  8.4163  26.991  10.431  -8.351202      13.40276 
1 1 1 -24 -17 49 o 30.512  11.103  233.676    106.469  0.0000     0.0000   233.676    106.469  ?       ?       30.512  11.103  0.000000       11.10276 
1 1 1 -24 -17 50 o 58.944  8.6673  613.453    120.260  0.0000     0.0000   613.453    120.260  ?       ?       58.944  8.6673  0.000000       8.667252 
1 1 1 -24 -17 51 o 24.628  11.110  173.138    140.658  0.0000     0.0000   173.138    140.658  ?       ?       24.628  11.110  0.000000       11.10979 
1 1 1 -24 -17 52 o 17.934  7.9518  33.965     68.811   -10.2482   80.974   148.875    130.542  16.502  7.7805  24.004  10.777  -7.502716      13.29187 
1 1 1 -24 -17 53 o 19.490  6.8762  60.458     40.490   75.416     45.648   5.2672     87.684   21.233  7.3129  17.527  8.2109  3.705906       10.99536 
1 1 1 -24 -17 54 o 23.580  7.4412  95.128     47.599   76.278     54.831   152.782    95.891   20.946  7.9035  25.442  10.202  -4.495350      12.90546 
1 1 1 -24 -17 55 o 32.320  11.960  300.711    124.340  668.523    284.126  213.585    138.284  29.521  14.106  25.986  11.407  3.535524       18.14136 
1 1 1 -24 -17 56 o 16.911  8.2062  -28.2402   105.313  152.393    256.638  -64.8170   115.484  21.991  11.035  16.509  8.1316  5.481827       13.70711 
1 1 1 -24 -17 57 o 17.943  8.5674  18.576     104.392  -16.0776   306.134  23.136     111.048  ?       ?       18.277  8.7562  0.000000       8.756177 
1 1 1 -24 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -16 5  o 12.748  5.0566  14.014     23.304   -6.4773    68.609   16.687     24.777   17.066  7.7232  13.360  5.2410  3.705903       9.333546 
1 1 1 -24 -16 6  o 18.852  6.5130  47.775     36.221   -61.8416   78.217   77.698     40.867   15.642  7.4540  23.185  6.8134  -7.543283      10.09875 
1 1 1 -24 -16 7  f 43.430  4.5116  246.045    46.849   322.391    93.542   220.482    54.127   45.855  8.7261  40.285  5.6962  5.569698       10.42070 
1 1 1 -24 -16 8  o 10.706  5.1764  -56.1231   40.977   -232.4738  129.570  -36.5252   43.194   16.288  8.1227  12.073  5.6895  4.214936       9.917125 
1 1 1 -24 -16 9  o 20.155  6.3729  56.287     34.899   129.747    74.058   35.317     39.568   28.479  9.3096  17.520  6.6890  10.95885       11.46351 
1 1 1 -24 -16 10 o 14.806  5.9852  17.965     33.292   -127.7120  78.300   50.112     36.782   13.656  6.7201  19.300  6.5665  -5.644099      9.395724 
1 1 1 -24 -16 11 o 11.363  5.2853  -24.8821   35.283   -37.1092   95.449   -22.9469   37.973   18.455  8.6201  11.995  5.5457  6.459351       10.24993 
1 1 1 -24 -16 12 o 52.629  4.8574  362.312    61.329   352.356    114.284  366.339    72.681   46.352  10.415  52.099  5.8505  -5.747520      11.94605 
1 1 1 -24 -16 13 o 20.274  7.2311  54.759     44.895   -1.8284    86.933   75.339     52.427   19.301  8.7179  22.949  7.8394  -3.647635      11.72429 
1 1 1 -24 -16 14 o 51.377  4.9112  345.596    60.479   393.148    104.976  321.972    73.992   51.082  8.7864  48.326  6.4727  2.755024       10.91317 
1 1 1 -24 -16 15 o 34.869  6.7533  171.046    55.073   133.472    104.354  185.550    64.837   28.504  10.868  35.621  7.7241  -7.117565      13.33281 
1 1 1 -24 -16 16 o 17.190  7.6330  0.3310     63.629   -112.4316  89.756   114.255    90.217   15.425  7.5059  27.053  10.152  -11.62795      12.62560 
1 1 1 -24 -16 17 o 25.197  9.6336  92.449     82.144   -73.9379   150.896  162.524    97.926   21.437  10.254  30.989  10.709  -9.551741      14.82612 
1 1 1 -24 -16 18 o 31.724  9.4610  160.253    78.330   105.346    142.158  184.191    93.865   27.369  11.793  33.148  10.448  -5.778513      15.75604 
1 1 1 -24 -16 19 o 46.198  5.4112  283.740    59.508   184.964    100.708  336.732    73.763   32.846  10.862  49.671  6.2593  -16.82438      12.53642 
1 1 1 -24 -16 20 o 38.339  6.3499  202.583    57.004   153.569    97.156   228.313    70.393   30.274  10.655  39.799  7.5660  -9.524075      13.06781 
1 1 1 -24 -16 21 o 48.447  5.7957  315.598    66.777   205.655    119.479  365.543    80.529   33.631  11.817  51.465  6.6009  -17.83367      13.53563 
1 1 1 -24 -16 22 o 25.013  8.7087  92.653     64.820   -12.0106   209.248  103.763    68.173   25.646  12.213  26.161  8.9396  -0.5150661     15.13529 
1 1 1 -24 -16 23 o 26.022  7.6424  99.377     51.430   124.006    56.789   -12.9617   121.285  28.899  7.8811  21.460  9.9178  7.439899       12.66784 
1 1 1 -24 -16 24 o 34.191  11.298  206.446    108.954  221.130    217.261  201.512    125.935  32.378  14.254  33.001  12.065  -0.6226158     18.67427 
1 1 1 -24 -16 25 o 33.902  11.441  205.201    111.650  301.053    222.174  172.816    129.141  35.209  14.946  30.943  12.013  4.265631       19.17553 
1 1 1 -24 -16 26 o 57.136  4.7675  425.079    65.491   441.728    88.439   404.865    97.452   56.596  6.5619  52.886  7.8310  3.709892       10.21681 
1 1 1 -24 -16 27 o 20.792  7.4510  58.091     47.721   38.101     60.120   92.135     78.457   19.567  7.9933  25.030  9.4518  -5.463129      12.37858 
1 1 1 -24 -16 28 o 51.975  5.2203  357.248    64.945   296.771    86.485   435.450    98.346   44.708  8.2773  55.108  7.5536  -10.40014      11.20582 
1 1 1 -24 -16 29 f 15.084  6.6081  1.6322     46.198   11.356     56.497   -17.9901   80.254   17.089  7.3989  17.867  8.1880  -0.7782497     11.03571 
1 1 1 -24 -16 30 o 15.795  6.8372  7.4724     48.218   11.539     57.062   -2.6818    90.168   17.146  7.4297  19.459  8.8254  -2.312824      11.53644 
1 1 1 -24 -16 31 o 12.966  6.0704  -34.2153   47.788   16.394     56.572   -160.2993  89.293   17.429  7.4736  14.061  6.9664  3.367926       10.21693 
1 1 1 -24 -16 32 o 15.165  6.7717  -5.2043    50.805   -24.1818   60.970   37.910     91.898   15.346  7.0709  21.599  9.3940  -6.253060      11.75779 
1 1 1 -24 -16 33 o 62.959  5.1216  524.418    77.562   288.206    100.450  873.179    122.057  41.802  10.031  79.582  6.3745  -37.77975      11.88541 
1 1 1 -24 -16 34 o 29.933  7.8214  135.344    57.435   139.671    70.337   126.687    99.496   29.502  9.0033  27.436  10.574  2.065308       13.88789 
1 1 1 -24 -16 35 o 17.341  7.6897  5.5549     64.369   5.5549     64.369   0.0000     0.0000   17.341  7.6897  ?       ?       0.000000       7.689710 
1 1 1 -24 -16 36 o 40.143  8.7257  252.736    82.565   252.736    82.565   0.0000     0.0000   40.143  8.7257  ?       ?       0.000000       8.725682 
1 1 1 -24 -16 37 o 51.433  8.3203  404.954    100.290  404.954    100.290  0.0000     0.0000   51.433  8.3203  ?       ?       0.000000       8.320303 
1 1 1 -24 -16 38 o 23.942  8.0669  88.772     55.505   49.792     68.861   161.070    93.782   20.515  8.4862  29.620  10.463  -9.105042      13.47206 
1 1 1 -24 -16 39 o 15.905  7.1055  0.9988     56.013   -33.9326   82.225   31.245     76.512   16.799  7.8959  19.579  8.5425  -2.779663      11.63268 
1 1 1 -24 -16 40 o 14.984  6.8151  -9.2979    54.253   43.413     74.202   -69.8425   79.525   20.079  8.5832  15.122  7.2864  4.957067       11.25893 
1 1 1 -24 -16 41 o 22.776  9.8213  75.751     98.735   -91.3906   245.687  107.944    107.826  22.638  11.272  24.711  10.447  -2.072767      15.36877 
1 1 1 -24 -16 42 o 35.871  11.481  272.281    112.999  281.376    267.993  270.314    124.618  28.195  13.533  34.270  12.066  -6.074244      18.13110 
1 1 1 -24 -16 43 o 29.236  11.117  188.799    109.022  312.165    264.580  163.569    119.652  28.235  13.524  27.066  11.191  1.168833       17.55360 
1 1 1 -24 -16 44 o 13.000  6.2447  -51.4810   57.329   47.990     81.283   -149.9425  80.869   20.034  8.7711  12.791  6.3849  7.242473       10.84897 
1 1 1 -24 -16 45 o 24.495  8.5593  106.704    62.642   156.641    89.805   59.382     87.422   27.381  10.158  20.692  9.0770  6.688509       13.62240 
1 1 1 -24 -16 46 o 20.035  7.9798  62.551     58.256   82.036     81.356   42.047     83.457   21.762  9.1301  19.415  8.6735  2.346622       12.59322 
1 1 1 -24 -16 47 o 14.131  6.5966  -18.0745   55.771   -18.9960   81.868   -17.2765   76.184   16.408  7.7626  16.052  7.5619  0.3556499      10.83695 
1 1 1 -24 -16 48 o 26.426  10.458  164.526    99.479   0.0000     0.0000   164.526    99.479   ?       ?       26.426  10.458  0.000000       10.45843 
1 1 1 -24 -16 49 o 16.194  7.7882  -36.8060   89.786   0.0000     0.0000   -36.8060   89.786   ?       ?       16.194  7.7882  0.000000       7.788207 
1 1 1 -24 -16 50 o 51.102  9.4670  485.609    113.062  1096.83    314.090  394.618    121.186  37.974  16.905  41.295  11.610  -3.321892      20.50802 
1 1 1 -24 -16 51 o 23.857  9.3532  116.549    78.875   160.826    95.525   21.691     139.820  26.254  10.293  20.000  9.6428  6.254229       14.10435 
1 1 1 -24 -16 52 o 18.353  7.0669  50.599     44.407   62.653     47.147   -44.1772   132.199  19.724  7.3514  18.242  8.9266  1.481680       11.56401 
1 1 1 -24 -16 53 o 16.809  6.7676  36.908     42.381   27.457     47.432   74.326     94.375   16.246  6.9014  20.987  9.3086  -4.740906      11.58792 
1 1 1 -24 -16 54 o 23.373  7.4453  93.048     47.565   80.962     54.647   130.825    96.612   21.509  7.9347  24.077  10.013  -2.568281      12.77600 
1 1 1 -24 -16 55 o 31.804  11.938  291.271    124.765  587.576    384.874  256.477    131.887  25.324  12.802  28.782  11.808  -3.458931      17.41627 
1 1 1 -24 -16 56 o 27.565  11.254  225.570    119.100  291.122    385.092  218.637    125.240  ?       ?       26.647  11.261  0.000000       11.26138 
1 1 1 -24 -16 57 f 13.339  6.6840  -141.2898  92.595   -116.5576  335.659  -143.3270  96.333   ?       ?       13.575  6.8047  0.000000       6.804730 
1 1 1 -24 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -15 4  o 10.472  4.6499  -5.1597    23.614   0.0000     0.0000   -5.1597    23.614   ?       ?       10.472  4.6499  0.000000       4.649920 
1 1 1 -24 -15 5  o 45.821  4.0312  269.826    44.363   437.952    82.362   201.112    52.654   56.564  6.0973  38.359  5.8416  18.20486       8.444026 
1 1 1 -24 -15 6  f 89.703  4.1402  1029.13    90.113   699.747    152.825  1204.69    111.573  66.472  9.7665  96.235  4.7782  -29.76265      10.87265 
1 1 1 -24 -15 7  o 23.041  7.6728  76.755     50.220   88.642     77.599   68.188     65.875   24.602  9.3735  22.470  8.6184  2.131954       12.73333 
1 1 1 -24 -15 8  o 20.396  7.9799  49.978     57.324   136.057    144.700  33.954     62.433   28.626  12.102  19.380  8.0538  9.246044       14.53666 
1 1 1 -24 -15 9  o 15.935  6.1840  26.200     34.211   71.199     75.674   14.641     38.354   23.192  9.1396  15.161  6.3075  8.030762       11.10478 
1 1 1 -24 -15 10 f 14.831  6.0680  16.151     34.714   37.792     79.185   11.003     38.623   20.972  8.9134  14.852  6.2640  6.120552       10.89430 
1 1 1 -24 -15 11 o 76.026  4.2922  741.069    78.854   840.956    138.319  692.975    95.979   76.950  7.5036  72.264  5.5154  4.685936       9.312535 
1 1 1 -24 -15 12 o 46.491  5.3056  286.363    58.779   252.610    108.239  300.480    69.999   38.361  11.036  46.847  6.3194  -8.486313      12.71723 
1 1 1 -24 -15 13 o 107.329 4.2996  1472.13    111.973  1554.85    184.880  1424.20    140.717  105.296 7.2810  103.618 5.6179  1.677589       9.196369 
1 1 1 -24 -15 14 f 52.011  5.0917  355.088    63.433   405.353    114.746  332.967    76.122   51.133  9.6012  49.192  6.5396  1.941051       11.61672 
1 1 1 -24 -15 15 o 23.265  7.5099  77.242     48.272   200.729    97.302   36.926     55.597   34.602  10.595  19.187  7.7421  15.41586       13.12203 
1 1 1 -24 -15 16 o 24.581  8.9911  86.976     69.951   46.843     134.096  101.979    81.990   24.657  11.006  26.113  9.7020  -1.456291      14.67192 
1 1 1 -24 -15 17 o 14.857  6.9358  -38.4417   61.665   -86.2221   108.630  -15.7250   74.902   18.109  8.6718  17.575  7.9990  0.5342255      11.79763 
1 1 1 -24 -15 18 o 28.339  9.3652  124.882    74.869   121.433    130.237  126.584    91.500   28.177  11.665  28.253  10.291  -0.7504463E-01 15.55516 
1 1 1 -24 -15 19 o 18.519  7.1551  38.391     45.643   95.572     80.795   11.588     55.316   25.574  9.6054  17.087  7.3598  8.486715       12.10086 
1 1 1 -24 -15 20 o 14.300  6.0494  8.5631     36.198   24.735     47.079   -14.8203   56.611   17.271  7.0666  15.467  7.0060  1.804654       9.950904 
1 1 1 -24 -15 21 o 36.979  5.5682  183.185    48.412   188.111    67.695   178.028    69.261   35.789  7.9968  34.504  8.3606  1.285091       11.56930 
1 1 1 -24 -15 22 o 16.822  6.6522  27.643     40.217   42.390     52.942   7.5221     61.841   19.502  7.6576  17.524  7.6620  1.978186       10.83264 
1 1 1 -24 -15 23 o 20.258  8.8512  20.521     82.403   -84.2764   209.968  39.600     89.590   24.292  11.738  21.906  9.3996  2.386034       15.03795 
1 1 1 -24 -15 24 o 24.826  10.121  80.736     96.131   -102.6585  207.723  130.718    108.443  23.804  11.545  28.488  11.023  -4.683649      15.96194 
1 1 1 -24 -15 25 o 60.141  9.3189  551.345    131.589  489.878    238.611  578.209    157.745  43.126  16.435  58.617  11.502  -15.49071      20.06021 
1 1 1 -24 -15 26 o 108.922 4.3499  1517.90    114.964  1477.71    162.310  1558.35    162.859  104.154 6.4543  107.267 6.2846  -3.113029      9.008595 
1 1 1 -24 -15 27 o 47.650  5.6664  304.083    64.230   281.529    82.356   339.101    102.622  43.872  8.0325  46.869  9.3517  -2.996315      12.32779 
1 1 1 -24 -15 28 o 83.898  4.5485  907.891    92.248   851.970    125.198  974.308    136.443  78.727  6.6153  84.013  6.7503  -5.285202      9.451425 
1 1 1 -24 -15 29 o 20.658  7.7190  55.002     52.044   57.438     62.903   49.714     92.661   21.465  8.3700  22.564  9.6171  -1.098858      12.74935 
1 1 1 -24 -15 30 o 11.512  5.5645  -63.4254   47.281   -73.2405   55.461   -37.3149   90.458   12.404  6.0034  18.032  8.4122  -5.627801      10.33470 
1 1 1 -24 -15 31 o 14.491  6.5908  -16.1711   50.740   -29.1761   61.182   12.479     90.809   15.171  7.0230  20.295  9.0583  -5.123636      11.46191 
1 1 1 -24 -15 32 o 15.698  6.9136  1.2698     51.162   -11.3064   61.268   30.241     92.991   16.140  7.3017  21.334  9.3600  -5.194363      11.87120 
1 1 1 -24 -15 33 o 76.396  4.7547  760.888    87.700   718.651    117.434  814.146    131.870  71.670  6.8358  75.661  7.2727  -3.990326      9.980983 
1 1 1 -24 -15 34 o 55.629  7.4709  446.622    98.293   446.622    98.293   0.0000     0.0000   55.629  7.4709  ?       ?       0.000000       7.470901 
1 1 1 -24 -15 35 o 11.856  5.8156  -93.4965   57.155   -93.4965   57.155   0.0000     0.0000   11.856  5.8156  ?       ?       0.000000       5.815573 
1 1 1 -24 -15 36 o 18.210  7.8308  21.478     62.428   21.478     62.428   0.0000     0.0000   18.210  7.8308  ?       ?       0.000000       7.830818 
1 1 1 -24 -15 37 o 30.862  8.9698  154.814    71.177   175.323    79.028   66.705     163.798  32.403  9.4614  25.177  11.597  7.225676       14.96668 
1 1 1 -24 -15 38 o 26.932  8.4518  115.666    61.491   206.225    90.081   36.649     84.145   34.263  10.129  20.593  8.9724  13.67022       13.53158 
1 1 1 -24 -15 39 o 21.900  8.2360  70.381     59.437   -8.5449    86.900   139.760    81.475   18.342  8.4478  28.239  9.7675  -9.897442      12.91393 
1 1 1 -24 -15 40 o 20.315  7.9959  55.759     57.852   36.366     81.515   75.441     82.118   20.128  8.7987  22.684  9.3130  -2.556545      12.81207 
1 1 1 -24 -15 41 o 25.444  10.489  117.766    104.699  203.117    270.905  102.779    113.520  27.586  13.331  24.596  10.568  2.989803       17.01139 
1 1 1 -24 -15 42 o 28.694  10.955  171.242    106.119  41.676     257.150  197.836    116.502  24.463  12.065  29.975  11.470  -5.511866      16.64710 
1 1 1 -24 -15 43 o 24.452  10.326  110.994    105.166  438.449    260.875  47.453     114.918  31.472  14.545  21.524  9.8395  9.948528       17.56090 
1 1 1 -24 -15 44 o 18.704  7.8173  42.367     59.296   30.059     81.068   56.527     86.956   19.096  8.5383  20.814  9.0935  -1.718515      12.47376 
1 1 1 -24 -15 45 o 19.966  8.1634  57.991     62.775   163.408    90.564   -39.4983   87.092   28.028  10.234  16.354  7.8134  11.67308       12.87539 
1 1 1 -24 -15 46 o 19.007  7.7802  50.545     57.100   41.716     81.194   59.183     80.317   19.379  8.6130  20.364  8.8195  -0.9850979     12.32754 
1 1 1 -24 -15 47 o 20.969  9.0094  71.308     82.505   0.0000     0.0000   71.308     82.505   ?       ?       20.969  9.0094  0.000000       9.009417 
1 1 1 -24 -15 48 o 18.377  8.4557  22.010     86.765   0.0000     0.0000   22.010     86.765   ?       ?       18.377  8.4557  0.000000       8.455704 
1 1 1 -24 -15 49 o 26.393  10.272  159.384    94.602   310.969    263.310  136.917    101.371  25.527  12.514  24.514  10.231  1.013464       16.16402 
1 1 1 -24 -15 50 o 37.038  8.1577  234.997    71.330   253.022    99.412   215.869    102.408  33.537  10.772  29.941  10.890  3.596056       15.31753 
1 1 1 -24 -15 51 o 14.529  6.4576  7.5384     45.648   -12.5337   48.367   171.126    138.079  13.528  6.2559  24.990  11.161  -11.46222      12.79441 
1 1 1 -24 -15 52 o 10.544  5.1272  -53.2509   41.687   -68.3798   43.935   83.338     132.014  10.301  5.0621  21.848  10.182  -11.54722      11.37136 
1 1 1 -24 -15 53 o 22.918  7.1335  86.412     43.906   120.291    50.739   -14.5889   87.606   26.762  7.5083  16.887  8.0012  9.875561       10.97238 
1 1 1 -24 -15 54 o 18.095  6.9628  48.655     43.086   27.011     50.536   106.268    82.451   16.422  7.0533  22.975  9.3705  -6.553343      11.72838 
1 1 1 -24 -15 55 o 18.167  8.5465  13.277     96.698   85.470     368.651  7.9427     100.207  ?       ?       18.128  8.5798  0.000000       8.579832 
1 1 1 -24 -15 56 f 17.661  8.3286  10.704     92.874   -243.0799  370.648  27.705     95.935   ?       ?       18.423  8.6174  0.000000       8.617449 
1 1 1 -24 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -14 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -14 4  o 62.362  6.8012  544.047    101.243  0.0000     0.0000   544.047    101.243  ?       ?       62.362  6.8012  0.000000       6.801181 
1 1 1 -24 -14 5  o 39.790  4.2630  204.697    40.516   163.248    82.066   218.057    46.590   31.581  9.7400  40.752  4.8041  -9.171289      10.86031 
1 1 1 -24 -14 6  o 13.776  5.6435  13.005     30.074   -30.2325   67.733   23.621     33.564   15.939  7.3823  15.535  6.0981  0.4036074      9.575197 
1 1 1 -24 -14 7  o 37.336  8.6591  212.112    76.922   239.512    158.548  203.677    87.969   34.189  13.300  35.405  9.8699  -1.215408      16.56242 
1 1 1 -24 -14 8  o 38.512  5.4038  197.988    49.106   236.449    165.208  194.261    51.430   33.939  13.463  37.907  5.7739  -3.967865      14.64903 
1 1 1 -24 -14 9  o 20.378  6.5426  56.981     36.676   0.6536     82.094   71.027     40.994   19.082  8.5579  22.438  6.8780  -3.356071      10.97923 
1 1 1 -24 -14 10 o 67.792  4.2852  588.760    70.124   445.688    118.376  666.112    87.041   53.929  9.3875  71.393  5.0574  -17.46421      10.66313 
1 1 1 -24 -14 11 o 51.008  4.8706  339.222    59.549   406.238    104.819  307.285    72.360   52.430  8.5330  47.321  6.4717  5.108719       10.70952 
1 1 1 -24 -14 12 o 60.339  4.7872  472.410    69.512   496.670    128.390  462.350    82.679   56.728  9.6747  58.743  5.8796  -2.015312      11.32120 
1 1 1 -24 -14 13 o 75.317  4.5225  729.460    82.265   724.562    144.703  731.799    99.997   70.058  8.6998  74.355  5.5834  -4.297295      10.33737 
1 1 1 -24 -14 14 o 37.330  6.2130  190.367    54.298   279.817    110.360  161.798    62.369   40.957  10.910  33.267  7.8528  7.690125       13.44191 
1 1 1 -24 -14 15 o 45.314  5.2591  270.650    56.749   339.970    100.717  238.405    68.692   47.483  9.0725  41.191  7.1310  6.291992       11.53962 
1 1 1 -24 -14 16 o 27.368  9.2458  113.990    72.916   191.778    123.211  72.063     90.457   32.890  11.948  24.163  9.8303  8.727211       15.47189 
1 1 1 -24 -14 17 o 39.749  8.7360  236.748    81.958   248.970    140.618  230.460    100.860  36.299  12.813  37.380  10.621  -1.081017      16.64296 
1 1 1 -24 -14 18 o 24.436  6.8218  84.300     41.993   37.350     59.549   130.742    59.227   19.636  7.9809  29.779  8.0184  -10.14247      11.31326 
1 1 1 -24 -14 19 f 20.254  6.7244  55.286     38.583   59.725     51.906   49.805     57.679   21.326  7.7534  20.626  8.0227  0.7000542      11.15704 
1 1 1 -24 -14 20 o 27.814  6.6080  108.408    43.936   110.610    59.363   105.741    65.337   27.315  8.2567  26.616  8.7464  0.6990852      12.02802 
1 1 1 -24 -14 21 o 41.491  5.2882  227.359    52.028   244.668    72.714   209.201    74.475   41.472  7.5021  37.589  8.3794  3.883526       11.24706 
1 1 1 -24 -14 22 o 22.736  7.4356  72.582     47.241   42.610     62.538   112.415    72.095   20.309  8.2055  27.218  9.1936  -6.908560      12.32285 
1 1 1 -24 -14 23 o 40.198  10.181  259.394    99.409   376.824    221.450  229.759    111.247  39.461  15.608  36.473  11.355  2.988384       19.30181 
1 1 1 -24 -14 24 o 42.842  9.7624  287.551    99.221   277.557    225.978  289.938    110.435  35.006  14.972  41.864  10.800  -6.858681      18.46080 
1 1 1 -24 -14 25 o 72.771  7.4964  746.766    130.472  914.705    266.701  693.929    149.594  63.580  16.971  67.648  9.3649  -4.067799      19.38322 
1 1 1 -24 -14 26 o 63.093  4.7530  515.833    72.229   516.787    99.559   514.772    104.949  61.164  6.8248  60.543  7.2908  0.6210976      9.986632 
1 1 1 -24 -14 27 o 47.186  5.7340  298.221    64.300   271.686    85.674   332.446    97.300   42.674  8.5718  47.035  8.8504  -4.361202      12.32092 
1 1 1 -24 -14 28 o 73.781  4.6503  703.431    82.824   585.178    113.354  838.870    121.312  64.383  7.3900  78.479  6.4270  -14.09596      9.793814 
1 1 1 -24 -14 29 o 17.014  7.1151  19.787     49.164   43.725     59.617   -31.1002   86.921   20.080  8.0472  18.029  8.3546  2.051813       11.59980 
1 1 1 -24 -14 30 o 45.050  6.2523  277.551    66.500   248.977    86.115   319.766    104.669  40.247  9.0392  44.867  9.8817  -4.619812      13.39236 
1 1 1 -24 -14 31 o 39.454  7.0314  220.236    64.844   191.865    80.041   274.415    110.608  34.878  9.2911  39.976  11.039  -5.097832      14.42880 
1 1 1 -24 -14 32 o 18.425  7.5462  31.235     53.754   59.135     63.878   -36.4605   99.501   21.626  8.4341  18.859  8.8063  2.767460       12.19368 
1 1 1 -24 -14 33 o 49.231  7.7768  352.436    89.814   352.436    89.814   0.0000     0.0000   49.231  7.7768  ?       ?       0.000000       7.776843 
1 1 1 -24 -14 34 o 82.753  6.4998  944.862    129.462  944.862    129.462  0.0000     0.0000   82.753  6.4998  ?       ?       0.000000       6.499811 
1 1 1 -24 -14 35 f 30.852  9.3093  154.237    75.512   154.237    75.512   0.0000     0.0000   30.852  9.3093  ?       ?       0.000000       9.309325 
1 1 1 -24 -14 36 o 15.514  6.9709  -6.7120    54.744   10.842     59.357   -106.6638  141.639  17.213  7.5167  19.598  9.5116  -2.385614      12.12321 
1 1 1 -24 -14 37 o 23.890  8.1065  86.256     56.056   83.938     73.241   89.534     87.099   23.746  9.0922  24.440  9.7500  -0.6945171     13.33156 
1 1 1 -24 -14 38 o 24.245  8.4148  90.886     60.497   82.747     89.428   97.753     82.145   23.842  9.7454  24.851  9.5997  -1.009489      13.67939 
1 1 1 -24 -14 39 o 26.495  8.5070  112.749    62.004   74.123     91.894   145.031    84.010   23.145  9.7065  28.722  9.9192  -5.577158      13.87829 
1 1 1 -24 -14 40 o 21.219  8.2343  63.743     60.656   91.870     88.947   39.294     82.929   24.056  9.7625  20.449  8.9085  3.607435       13.21622 
1 1 1 -24 -14 41 o 20.139  9.1346  21.907     96.617   77.325     245.484  11.749     105.099  25.514  12.415  20.171  9.2902  5.343534       15.50595 
1 1 1 -24 -14 42 f 29.266  11.065  178.236    107.623  334.194    260.205  146.050    118.207  30.011  14.087  26.775  11.101  3.235201       17.93479 
1 1 1 -24 -14 43 o 16.862  7.3936  16.621     57.949   33.979     80.691   -1.8651    83.274   19.521  8.6355  17.878  8.2468  1.643700       11.94074 
1 1 1 -24 -14 44 o 18.760  7.7685  43.433     57.794   104.860    83.340   -13.4776   80.217   24.054  9.5557  16.996  7.9266  7.057676       12.41541 
1 1 1 -24 -14 45 o 25.851  8.5991  117.996    63.084   139.760    93.360   99.711     85.575   26.096  10.191  23.393  9.5443  2.702494       13.96251 
1 1 1 -24 -14 46 o 15.001  7.1195  -34.0992   69.930   0.0000     0.0000   -34.0992   69.930   ?       ?       15.001  7.1195  0.000000       7.119466 
1 1 1 -24 -14 47 o 17.747  7.8584  27.474     66.982   0.0000     0.0000   27.474     66.982   ?       ?       17.747  7.8584  0.000000       7.858369 
1 1 1 -24 -14 48 o 21.522  9.1612  80.936     83.883   -64.1949   303.236  92.962     87.289   21.706  11.013  22.287  9.4093  -0.5805664     14.48548 
1 1 1 -24 -14 49 o 22.543  8.6128  92.896     65.630   104.556    93.646   81.642     92.006   22.845  9.7009  21.518  9.3786  1.327299       13.49318 
1 1 1 -24 -14 50 o 30.381  7.8070  156.379    57.862   162.301    62.723   122.555    149.899  30.330  8.2874  23.173  10.817  7.157036       13.62659 
1 1 1 -24 -14 51 o 15.036  6.6149  12.419     46.728   12.647     49.653   10.650     138.203  15.334  6.7791  19.889  9.5887  -4.554221      11.74302 
1 1 1 -24 -14 52 o 16.840  6.7379  36.778     41.723   78.240     47.848   -94.7661   85.228   21.666  7.4857  14.270  7.0204  7.395743       10.26261 
1 1 1 -24 -14 53 o 15.706  6.5587  25.626     41.692   32.973     48.312   4.1946     82.518   16.860  7.0521  17.370  8.0804  -0.5099945     10.72500 
1 1 1 -24 -14 54 o 9.8847  4.8202  -52.5282   37.578   -55.3202   42.192   -41.8155   82.645   10.527  5.1276  15.548  7.4763  -5.021624      9.065747 
1 1 1 -24 -14 55 o 15.793  7.7491  -75.8903   101.704  271.205    370.720  -104.1397  105.761  23.475  11.937  15.405  7.6235  8.069951       14.16372 
1 1 1 -24 -14 56 o 26.173  10.657  182.684    106.436  -130.7579  384.829  208.647    110.757  ?       ?       27.470  10.983  0.000000       10.98262 
1 1 1 -24 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -13 3  o 44.571  4.5288  258.323    48.298   0.0000     0.0000   258.323    48.298   ?       ?       44.571  4.5288  0.000000       4.528835 
1 1 1 -24 -13 4  o 18.381  5.3326  45.702     25.177   -97.2690   70.585   66.543     26.950   13.636  6.6399  22.171  5.1139  -8.535124      8.380956 
1 1 1 -24 -13 5  o 12.133  5.0541  7.0576     24.669   25.566     63.216   3.7330     26.793   18.865  7.9883  12.149  5.1746  6.716348       9.517843 
1 1 1 -24 -13 6  o 15.281  6.5400  8.5175     43.170   -48.3517   82.329   30.083     50.698   16.836  7.9092  18.096  7.3604  -1.260239      10.80421 
1 1 1 -24 -13 7  o 25.504  9.1186  96.643     71.431   352.972    143.724  12.557     82.317   43.365  12.787  19.773  8.7357  23.59157       15.48626 
1 1 1 -24 -13 8  f 31.586  5.7752  135.426    42.630   206.670    90.297   114.993    48.359   35.744  10.012  28.353  7.0571  7.390612       12.24937 
1 1 1 -24 -13 9  o 42.442  4.8615  235.299    49.161   78.114     92.308   297.536    58.084   24.576  9.9551  47.607  5.1081  -23.03162      11.18911 
1 1 1 -24 -13 10 o 35.989  6.0109  175.978    50.639   24.465     88.092   250.751    61.885   20.986  9.1610  43.016  6.1001  -22.02991      11.00613 
1 1 1 -24 -13 11 o 63.696  4.6458  523.434    71.307   499.720    124.642  534.972    86.940   57.579  9.2336  63.455  5.7077  -5.876564      10.85525 
1 1 1 -24 -13 12 o 75.694  4.4066  733.605    80.583   683.879    142.433  757.015    97.728   68.034  8.8369  75.983  5.3346  -7.948730      10.32223 
1 1 1 -24 -13 13 o 37.367  6.0594  189.271    53.058   71.478     97.904   238.254    63.133   24.507  10.127  41.736  6.4416  -17.22842      12.00187 
1 1 1 -24 -13 14 o 56.600  4.7974  414.715    65.265   480.974    117.531  385.174    78.477   57.157  8.7534  53.475  6.1608  3.681343       10.70410 
1 1 1 -24 -13 15 o 19.863  7.5122  47.228     49.609   193.808    155.382  30.590     52.348   32.639  13.022  18.435  7.4865  14.20499       15.02078 
1 1 1 -24 -13 16 o 20.167  7.2964  51.868     45.886   73.229     55.354   4.9478     82.038   23.019  8.0458  19.511  8.6654  3.507805       11.82473 
1 1 1 -24 -13 17 o 45.176  6.0202  274.230    64.349   254.434    79.741   311.187    108.955  41.895  8.1376  44.275  10.331  -2.379322      13.15098 
1 1 1 -24 -13 18 o 32.921  5.8132  146.134    44.738   179.399    61.956   109.893    64.669   35.518  7.4279  27.187  8.6835  8.331886       11.42702 
1 1 1 -24 -13 19 o 28.013  6.7533  110.074    45.366   80.207     61.343   146.126    67.398   23.933  8.4615  31.216  8.6160  -7.283773      12.07613 
1 1 1 -24 -13 20 o 45.731  4.9541  272.415    54.092   167.596    73.942   393.090    79.338   33.207  8.9669  54.069  6.1572  -20.86229      10.87729 
1 1 1 -24 -13 21 o 18.772  7.2876  38.424     47.525   -39.2350   62.796   142.538    72.709   15.048  7.0165  30.513  9.1187  -15.46503      11.50577 
1 1 1 -24 -13 22 o 38.123  6.1980  197.503    55.363   180.055    73.849   219.893    83.654   34.558  8.7874  37.969  9.1811  -3.411018      12.70867 
1 1 1 -24 -13 23 o 58.207  8.1380  487.328    111.794  558.766    240.118  467.557    126.321  47.824  16.755  55.172  9.7949  -7.347626      19.40811 
1 1 1 -24 -13 24 o 35.761  10.364  208.045    95.145   276.537    222.490  192.716    105.254  35.361  14.981  33.751  11.102  1.609810       18.64577 
1 1 1 -24 -13 25 o 68.190  7.7331  659.305    125.687  718.501    261.996  641.609    143.247  53.730  17.508  65.278  9.3075  -11.54790      19.82797 
1 1 1 -24 -13 26 o 62.592  4.8637  508.389    73.287   484.166    100.857  535.486    106.674  58.884  7.2097  61.919  7.2367  -3.035343      10.21519 
1 1 1 -24 -13 27 o 19.013  7.4978  38.668     50.960   34.111     67.737   44.612     77.355   20.014  8.3591  21.489  8.9504  -1.474897      12.24677 
1 1 1 -24 -13 28 o 57.696  5.0005  434.511    69.312   443.701    93.657   423.384    103.059  56.507  6.9792  54.050  8.1083  2.456207       10.69833 
1 1 1 -24 -13 29 o 25.631  8.1649  96.921     57.203   63.144     77.022   138.470    85.425   22.784  9.1410  29.382  10.007  -6.597923      13.55358 
1 1 1 -24 -13 30 o 23.444  8.3760  77.734     60.261   70.940     85.002   84.599     85.442   23.702  9.5699  24.738  9.7235  -1.036179      13.64293 
1 1 1 -24 -13 31 o 16.030  7.1521  -5.0962    56.551   96.002     81.458   -99.1529   78.570   25.516  9.6319  14.593  7.0829  10.92252       11.95575 
1 1 1 -24 -13 32 o 20.383  8.9047  23.033     83.375   23.033     83.375   0.0000     0.0000   20.383  8.9047  ?       ?       0.000000       8.904710 
1 1 1 -24 -13 33 o 34.444  10.409  199.873    94.347   199.873    94.347   0.0000     0.0000   34.444  10.409  ?       ?       0.000000       10.40857 
1 1 1 -24 -13 34 o 56.950  8.0109  474.839    107.637  474.839    107.637  0.0000     0.0000   56.950  8.0109  ?       ?       0.000000       8.010856 
1 1 1 -24 -13 35 o 49.617  8.0186  363.118    93.244   393.645    110.178  286.071    175.036  50.083  9.4120  35.437  13.921  14.64654       16.80404 
1 1 1 -24 -13 36 o 44.769  9.1413  314.187    95.941   356.883    112.305  198.868    184.571  46.423  10.245  30.783  13.351  15.64043       16.82835 
1 1 1 -24 -13 37 o 24.416  7.5804  89.018     49.615   78.025     89.560   93.886     59.596   23.767  9.7379  24.768  8.3588  -1.001572      12.83342 
1 1 1 -24 -13 38 o 41.517  6.2876  241.329    61.357   301.498    100.260  205.302    77.580   42.514  9.9034  35.774  8.9576  6.739159       13.35348 
1 1 1 -24 -13 39 o 19.002  7.6713  41.116     54.615   245.717    93.001   -66.5832   67.475   37.802  9.9890  14.071  6.7635  23.73114       12.06339 
1 1 1 -24 -13 40 o 29.518  7.9001  136.113    57.699   207.184    95.788   95.640     72.285   33.440  10.556  24.362  9.0982  9.078619       13.93605 
1 1 1 -24 -13 41 o 19.737  8.4755  38.700     72.941   -32.7050   266.038  44.504     75.847   24.267  12.023  20.285  8.6747  3.982361       14.82615 
1 1 1 -24 -13 42 o 19.094  8.1757  36.208     67.522   -352.6310  266.939  62.788     69.792   20.528  10.407  21.169  8.6260  -0.6408195     13.51707 
1 1 1 -24 -13 43 o 20.908  7.7691  66.065     52.578   71.106     85.742   63.028     66.561   22.011  9.3109  20.920  8.4607  1.091406       12.58079 
1 1 1 -24 -13 44 o 16.731  7.1703  22.889     52.020   147.952    84.219   -54.2589   66.147   27.669  9.9003  14.015  6.7260  13.65368       11.96893 
1 1 1 -24 -13 45 f 33.673  9.2943  205.142    78.426   0.0000     0.0000   205.142    78.426   ?       ?       33.673  9.2943  0.000000       9.294338 
1 1 1 -24 -13 46 o 16.837  7.5312  14.468     63.134   0.0000     0.0000   14.468     63.134   ?       ?       16.837  7.5312  0.000000       7.531214 
1 1 1 -24 -13 47 o 18.453  7.9909  38.698     65.920   86.964     275.154  35.759     67.897   23.302  11.653  18.360  8.0281  4.941095       14.15086 
1 1 1 -24 -13 48 o 11.967  5.8295  -65.1854   54.553   -9.7305    78.806   -116.2109  75.593   16.615  7.7839  12.861  6.3786  3.754122       10.06358 
1 1 1 -24 -13 49 o 16.443  7.0526  25.957     50.399   3.2540     65.116   59.878     79.593   16.139  7.3884  20.141  8.7511  -4.001972      11.45298 
1 1 1 -24 -13 50 o 8.6520  4.3925  -158.1388  48.745   -95.9318   54.424   -410.4069  109.598  10.923  5.4166  ?       ?       0.000000       5.416628 
1 1 1 -24 -13 51 o 15.102  6.8623  1.0784     54.836   -6.0026    60.402   34.274     130.780  15.234  7.0260  20.427  9.7068  -5.192735      11.98278 
1 1 1 -24 -13 52 o 29.816  7.6143  147.543    55.282   126.926    69.017   184.446    92.338   25.787  8.9857  28.925  10.365  -3.138805      13.71759 
1 1 1 -24 -13 53 o 20.342  7.1880  66.399     44.261   56.334     50.984   97.192     89.179   19.209  7.5229  22.540  9.5131  -3.331656      12.12820 
1 1 1 -24 -13 54 o 23.767  10.162  124.947    104.048  114.409    342.356  126.020    109.215  22.999  11.673  23.711  10.277  -0.7113647     15.55206 
1 1 1 -24 -13 55 o 21.108  9.2658  80.091     91.236   -927.2766  372.187  144.494    94.107   ?       ?       25.032  10.082  0.000000       10.08247 
1 1 1 -24 -13 56 o 27.061  10.931  202.186    110.954  212.354    391.628  201.298    115.694  ?       ?       26.609  11.003  0.000000       11.00288 
1 1 1 -24 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -12 3  o 18.402  6.5007  43.512     36.199   0.0000     0.0000   43.512     36.199   ?       ?       18.402  6.5007  0.000000       6.500669 
1 1 1 -24 -12 4  o 24.611  5.0685  81.297     29.259   16.576     64.387   98.140     32.846   18.367  7.9257  27.041  5.1949  -8.673655      9.476436 
1 1 1 -24 -12 5  f 33.709  6.1223  155.759    48.231   144.303    80.287   162.227    60.330   30.093  9.6822  33.420  7.6102  -3.327803      12.31502 
1 1 1 -24 -12 6  o 36.398  7.4652  190.063    63.717   282.604    146.181  168.357    70.797   38.082  13.088  33.294  8.6759  4.787918       15.70271 
1 1 1 -24 -12 7  o 23.224  8.8775  71.686     69.749   240.115    143.381  19.473     79.832   35.413  12.885  20.037  8.7346  15.37544       15.56624 
1 1 1 -24 -12 8  o 56.552  4.2744  409.264    58.219   446.522    106.157  393.238    69.624   55.616  8.1049  54.666  5.3162  0.9495583      9.692832 
1 1 1 -24 -12 9  o 62.960  4.2984  506.804    65.272   537.135    120.739  494.279    77.588   60.743  8.4182  61.408  5.2579  -0.6653786     9.925305 
1 1 1 -24 -12 10 o 67.316  4.3997  580.100    71.467   632.836    126.913  555.613    86.482   66.514  8.0260  64.892  5.5458  1.622009       9.755592 
1 1 1 -24 -12 11 o 76.735  5.1811  767.418    95.903   743.113    133.188  793.589    138.205  72.627  7.6742  75.031  7.7005  -2.404114      10.87160 
1 1 1 -24 -12 12 o 30.760  7.3257  134.976    53.893   222.340    119.040  112.453    60.442   35.698  11.809  27.595  8.3293  8.103312       14.45133 
1 1 1 -24 -12 13 o 59.125  7.3122  486.408    102.665  315.917    197.355  549.663    120.211  38.287  14.854  61.908  8.2048  -23.62033      16.96980 
1 1 1 -24 -12 14 f 18.626  6.7397  42.602     39.152   16.825     55.544   68.058     55.197   17.643  7.4803  22.485  8.0182  -4.841980      10.96568 
1 1 1 -24 -12 15 o 59.144  4.9373  453.032    70.206   469.201    85.523   419.619    122.941  59.303  6.0272  52.119  10.086  7.184582       11.74988 
1 1 1 -24 -12 16 o 50.465  5.8129  338.391    69.878   379.609    85.075   252.919    122.509  52.662  6.8180  38.190  11.921  14.47204       13.73268 
1 1 1 -24 -12 17 o 41.618  6.9279  239.334    67.499   191.525    78.912   369.685    130.301  35.568  9.1051  47.266  11.476  -11.69886      14.64956 
1 1 1 -24 -12 18 o 43.666  5.1644  249.429    53.658   212.335    72.401   294.630    79.923   38.361  8.0358  45.854  7.4383  -7.492619      10.95001 
1 1 1 -24 -12 19 o 34.803  6.1519  164.289    50.051   202.239    67.593   118.225    74.470   37.690  7.6526  28.020  9.3441  9.669369       12.07779 
1 1 1 -24 -12 20 o 59.617  4.6609  457.032    66.886   478.073    87.291   427.110    104.096  59.813  6.1000  54.703  8.0863  5.110069       10.12902 
1 1 1 -24 -12 21 o 62.253  4.8609  500.695    72.842   406.523    98.264   615.567    108.527  53.626  7.7789  67.248  6.7419  -13.62240      10.29391 
1 1 1 -24 -12 22 o 17.696  7.4339  19.544     54.050   50.785     66.475   -41.3989   92.845   21.405  8.5246  18.409  8.5663  2.995871       12.08513 
1 1 1 -24 -12 23 o 50.521  8.9578  378.253    105.789  492.134    237.306  350.008    118.182  45.040  16.547  46.766  10.653  -1.726292      19.67989 
1 1 1 -24 -12 24 o 25.385  9.7524  89.384     84.438   -238.6239  200.372  160.211    93.109   21.404  10.574  31.497  10.446  -10.09394      14.86313 
1 1 1 -24 -12 25 o 77.561  4.6414  773.391    86.947   806.008    124.364  742.205    121.606  76.861  6.7364  73.551  6.8944  3.309937       9.639091 
1 1 1 -24 -12 26 o 65.565  4.9800  558.445    78.632   669.705    113.168  454.591    109.337  69.969  6.7496  56.021  8.2943  13.94826       10.69358 
1 1 1 -24 -12 27 o 75.580  4.7167  736.856    86.067   689.990    125.577  778.372    118.192  70.066  7.5032  75.724  6.4956  -5.658279      9.924237 
1 1 1 -24 -12 28 o 61.437  5.2985  495.733    78.214   531.179    113.019  463.155    108.350  61.035  7.8107  56.638  8.1162  4.396477       11.26407 
1 1 1 -24 -12 29 o 21.102  8.1031  54.817     58.277   109.838    84.359   4.5881     80.601   26.892  9.8681  19.249  8.5669  7.643093       13.06794 
1 1 1 -24 -12 30 o 20.906  8.1901  51.624     60.442   84.687     85.239   18.188     85.720   24.803  9.7235  20.414  8.9707  4.388758       13.22950 
1 1 1 -24 -12 31 o 41.221  9.9181  270.634    97.996   270.634    97.996   0.0000     0.0000   41.221  9.9181  ?       ?       0.000000       9.918078 
1 1 1 -24 -12 32 o 36.588  10.408  222.112    96.804   222.112    96.804   0.0000     0.0000   36.588  10.408  ?       ?       0.000000       10.40835 
1 1 1 -24 -12 33 o 26.810  10.127  111.415    90.085   111.415    90.085   0.0000     0.0000   26.810  10.127  ?       ?       0.000000       10.12702 
1 1 1 -24 -12 34 o 54.325  8.1024  432.727    103.534  509.797    121.807  232.088    196.533  57.974  8.9470  32.741  13.982  25.23377       16.59927 
1 1 1 -24 -12 35 o 51.506  7.9668  388.980    96.352   332.686    113.294  536.114    183.162  44.538  10.631  50.766  14.274  -6.228699      17.79769 
1 1 1 -24 -12 36 o 35.365  8.6413  193.633    73.520   207.926    106.377  180.563    101.726  33.920  11.161  31.859  10.920  2.060631       15.61443 
1 1 1 -24 -12 37 o 15.936  6.6072  19.088     41.880   -36.6160   85.535   36.653     48.031   17.375  8.1301  18.282  7.2569  -0.9070854     10.89777 
1 1 1 -24 -12 38 o 72.174  4.8517  686.055    84.470   1059.76    131.475  423.354    110.232  87.599  6.2261  51.877  9.0885  35.72184       11.01655 
1 1 1 -24 -12 39 o 20.366  7.6244  56.592     50.824   88.357     83.581   37.955     64.020   24.084  9.5689  19.418  8.1198  4.665054       12.54968 
1 1 1 -24 -12 40 o 30.719  7.5817  144.065    56.168   99.794     96.779   166.551    68.973   24.830  10.142  32.059  8.6617  -7.228621      13.33768 
1 1 1 -24 -12 41 o 33.718  9.8475  201.472    85.602   -24.6938   257.275  229.627    90.774   24.327  12.011  35.913  10.031  -11.58622      15.64907 
1 1 1 -24 -12 42 o 24.042  9.5069  96.562     82.139   295.949    259.846  74.427     86.578   29.529  13.927  22.514  9.4308  7.015306       16.82004 
1 1 1 -24 -12 43 o 23.564  7.9458  89.355     53.852   83.007     86.511   93.370     68.810   22.857  9.4881  23.633  8.8668  -0.7757626     12.98626 
1 1 1 -24 -12 44 o 11.629  5.7026  -81.4532   54.835   0.0000     0.0000   -81.4532   54.835   ?       ?       11.629  5.7026  0.000000       5.702613 
1 1 1 -24 -12 45 o 24.014  8.9568  102.441    70.011   0.0000     0.0000   102.441    70.011   ?       ?       24.014  8.9568  0.000000       8.956767 
1 1 1 -24 -12 46 o 18.519  7.8924  40.001     62.392   0.0000     0.0000   40.001     62.392   ?       ?       18.519  7.8924  0.000000       7.892353 
1 1 1 -24 -12 47 o 15.863  7.1959  3.7810     59.982   42.887     88.719   -29.1431   81.405   19.726  8.8679  16.148  7.6692  3.578142       11.72416 
1 1 1 -24 -12 48 o 16.238  7.1068  19.424     53.316   36.727     70.169   -4.2127    82.010   18.480  8.1186  17.103  7.9892  1.377047       11.39028 
1 1 1 -24 -12 49 o ?       ?       -146.2032  39.693   -123.4567  47.641   -197.8320  71.774   9.2532  4.6573  10.772  5.4544  -1.519226      7.172190 
1 1 1 -24 -12 50 o 14.244  6.6225  -15.3527   55.304   45.666     62.724   -228.4492  117.217  18.687  7.9374  14.218  7.1745  4.469313       10.69931 
1 1 1 -24 -12 51 o 27.385  9.0381  142.703    69.740   123.161    81.938   194.074    132.848  24.665  9.5708  26.700  11.451  -2.035200      14.92403 
1 1 1 -24 -12 52 o 22.558  8.1759  88.581     57.652   45.738     77.063   143.036    86.881   19.318  8.4970  26.054  9.9202  -6.736015      13.06172 
1 1 1 -24 -12 53 o 19.316  7.5006  57.180     50.353   42.132     64.244   81.146     81.077   18.506  7.9507  21.576  9.0865  -3.069614      12.07385 
1 1 1 -24 -12 54 o 15.061  7.3724  -79.6933   90.393   51.589     366.142  -88.2142   93.280   ?       ?       15.061  7.3965  0.000000       7.396480 
1 1 1 -24 -12 55 o 29.775  11.694  252.652    123.490  552.015    389.861  219.267    130.194  25.393  12.842  27.247  11.497  -1.853403      17.23609 
1 1 1 -24 -12 56 o 20.666  9.4646  77.008     106.990  -194.5827  384.972  99.741     111.378  ?       ?       21.626  9.8085  0.000000       9.808550 
1 1 1 -24 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -11 2  o 12.198  4.6173  14.826     18.752   0.0000     0.0000   14.826     18.752   ?       ?       12.198  4.6173  0.000000       4.617318 
1 1 1 -24 -11 3  o 25.663  5.1493  88.373     30.949   49.659     75.540   96.182     33.927   21.667  8.9181  26.670  5.4274  -5.003448      10.43975 
1 1 1 -24 -11 4  o 29.830  6.2820  123.186    44.032   139.730    73.974   114.108    54.797   29.950  9.2491  27.874  7.7967  2.075726       12.09683 
1 1 1 -24 -11 5  o 28.226  5.5411  107.617    36.595   173.613    78.302   89.173     41.393   33.371  9.3149  25.153  6.6725  8.218035       11.45819 
1 1 1 -24 -11 6  o 48.485  6.7440  323.986    77.191   530.879    166.791  267.595    87.077   54.538  12.820  42.305  8.7709  12.23332       15.53339 
1 1 1 -24 -11 7  o 62.745  4.8980  510.693    73.979   531.565    192.976  507.097    80.098   51.306  14.729  62.126  5.3663  -10.81926      15.67574 
1 1 1 -24 -11 8  f 59.643  4.4663  456.363    64.166   421.892    116.113  471.518    76.989   52.816  9.4053  59.937  5.3501  -7.121323      10.82045 
1 1 1 -24 -11 9  o 16.000  6.5007  20.111     39.491   92.540     76.705   -6.0107    46.065   25.462  9.3992  14.637  6.4973  10.82533       11.42626 
1 1 1 -24 -11 10 o 40.372  6.7555  224.637    63.838   141.285    93.356   297.846    87.491   29.862  10.448  45.360  8.2533  -15.49788      13.31474 
1 1 1 -24 -11 11 o 21.811  7.4796  64.322     47.727   194.510    123.337  41.394     51.760   33.531  11.983  19.474  7.5929  14.05657       14.18584 
1 1 1 -24 -11 12 o 25.961  6.2588  92.883     38.965   72.673     53.130   116.406    57.319   22.983  7.8910  28.280  7.9966  -5.296921      11.23450 
1 1 1 -24 -11 13 o 82.183  3.8685  849.716    77.142   869.337    110.819  831.269    107.449  81.352  5.6491  79.598  5.5989  1.754082       7.953664 
1 1 1 -24 -11 14 o 89.736  4.7737  1033.85    103.566  958.966    124.478  1202.29    186.685  84.987  6.0764  91.585  8.4976  -6.598373      10.44662 
1 1 1 -24 -11 15 o 45.846  6.3320  283.402    68.557   250.210    80.986   367.336    128.785  41.587  8.3164  47.450  11.340  -5.862988      14.06284 
1 1 1 -24 -11 16 o 28.463  8.1218  117.873    58.851   99.908     67.217   176.866    121.805  26.252  8.8771  32.514  11.869  -6.261663      14.82126 
1 1 1 -24 -11 17 o 65.329  5.8330  563.586    91.489   507.939    110.774  682.993    162.267  60.190  7.7661  66.657  10.370  -6.467167      12.95556 
1 1 1 -24 -11 18 o 63.871  4.3305  519.372    66.716   509.377    92.388   530.263    96.443   61.717  6.2559  62.831  6.4160  -1.113819      8.961123 
1 1 1 -24 -11 19 o 17.779  6.8830  32.911     42.303   42.161     55.608   20.206     65.174   19.921  7.8398  18.985  8.0781  0.9355354      11.25692 
1 1 1 -24 -11 20 o 52.372  5.5375  360.579    69.301   380.449    93.823   336.722    102.804  52.095  7.6504  47.545  9.2443  4.550415       11.99939 
1 1 1 -24 -11 21 o 96.890  4.4411  1193.98    104.409  1127.65    148.859  1258.21    146.482  91.249  6.7716  97.152  6.2470  -5.903770      9.213055 
1 1 1 -24 -11 22 o 84.513  7.6217  995.411    154.611  977.639    291.428  1002.37    182.396  65.924  17.802  82.329  9.2932  -16.40536      20.08135 
1 1 1 -24 -11 23 o 21.309  9.5400  6.0823     101.552  -228.0492  226.306  65.116     113.636  23.060  11.363  25.087  10.670  -2.027317      15.58745 
1 1 1 -24 -11 24 o 22.761  9.7737  40.698     96.997   -254.4575  232.949  102.606    106.686  22.928  11.340  27.049  10.791  -4.121111      15.65388 
1 1 1 -24 -11 25 o 49.913  5.9508  332.925    70.649   439.269    103.762  241.020    96.461   55.582  7.9176  39.040  10.105  16.54147       12.83719 
1 1 1 -24 -11 26 o 22.948  8.1979  71.887     57.723   39.649     82.005   103.546    81.266   21.614  9.1223  26.517  9.6923  -4.903423      13.30999 
1 1 1 -24 -11 27 o 64.203  5.0606  536.459    78.196   585.577    112.678  490.825    108.607  64.841  7.2880  58.788  7.8070  6.053368       10.68009 
1 1 1 -24 -11 28 o 74.297  4.8161  713.636    86.354   785.546    124.106  646.146    120.232  75.683  6.8318  67.924  7.4156  7.758919       10.08287 
1 1 1 -24 -11 29 o 57.156  5.5894  432.873    76.524   332.428    108.581  532.001    107.867  45.979  10.016  61.601  7.3626  -15.62196      12.43100 
1 1 1 -24 -11 30 o 28.149  10.235  124.256    90.447   124.256    90.447   0.0000     0.0000   28.149  10.235  ?       ?       0.000000       10.23474 
1 1 1 -24 -11 31 o 33.228  10.446  182.696    93.888   182.696    93.888   0.0000     0.0000   33.228  10.446  ?       ?       0.000000       10.44610 
1 1 1 -24 -11 32 o 36.714  10.437  222.978    97.367   222.978    97.367   0.0000     0.0000   36.714  10.437  ?       ?       0.000000       10.43659 
1 1 1 -24 -11 33 o 26.682  8.5521  107.547    62.684   69.593     90.925   141.924    86.535   23.807  9.7899  29.559  10.072  -5.751463      14.04578 
1 1 1 -24 -11 34 o 41.119  9.5789  267.351    93.794   269.006    110.954  263.209    175.565  39.430  11.118  34.861  13.863  4.568966       17.77015 
1 1 1 -24 -11 35 o 27.161  9.1782  115.472    71.854   204.335    104.755  36.511     98.746   34.018  11.070  22.059  9.6625  11.95818       14.69373 
1 1 1 -24 -11 36 o 17.382  7.6240  8.4586     61.655   14.962     95.035   3.7318     81.019   20.615  9.2292  18.948  8.4994  1.667185       12.54657 
1 1 1 -24 -11 37 o 18.672  7.5230  36.818     52.411   131.608    91.368   -9.6684    63.985   27.978  10.269  16.457  7.4521  11.52103       12.68832 
1 1 1 -24 -11 38 o 26.472  7.7548  106.327    53.014   129.188    88.366   93.473     66.263   27.628  10.106  24.620  8.7846  3.008514       13.39000 
1 1 1 -24 -11 39 o 16.782  7.0854  20.300     49.500   14.673     82.117   23.512     62.039   19.295  8.6127  18.217  7.8194  1.077370       11.63282 
1 1 1 -24 -11 40 o 17.658  8.0023  -0.9978    73.950   264.794    246.696  -27.2387   77.514   30.450  14.098  16.731  7.7994  13.71862       16.11168 
1 1 1 -24 -11 41 o 32.491  10.097  191.106    87.999   234.536    262.392  185.602    93.409   28.931  13.749  31.482  10.463  -2.551029      17.27732 
1 1 1 -24 -11 42 o 17.844  7.8710  17.520     66.573   -17.0578   272.104  19.722     68.659   24.325  12.071  18.146  7.9994  6.178919       14.48079 
1 1 1 -24 -11 43 o 17.021  7.5772  11.014     63.089   0.0000     0.0000   11.014     63.089   ?       ?       17.021  7.5772  0.000000       7.577169 
1 1 1 -24 -11 44 o 20.936  8.5140  64.217     67.817   0.0000     0.0000   64.217     67.817   ?       ?       20.936  8.5140  0.000000       8.513971 
1 1 1 -24 -11 45 o 20.827  8.5768  64.503     69.914   0.0000     0.0000   64.503     69.914   ?       ?       20.827  8.5768  0.000000       8.576812 
1 1 1 -24 -11 46 o 10.619  5.1913  -64.5107   44.389   -110.5976  78.843   -43.1233   53.710   13.469  6.6499  12.850  6.1382  0.6187382      9.049797 
1 1 1 -24 -11 47 o 25.468  8.6730  117.703    64.166   148.037    73.458   20.046     131.805  27.832  9.2803  20.392  9.7061  7.439842       13.42876 
1 1 1 -24 -11 48 o 27.544  8.1358  131.639    58.138   107.382    76.873   164.056    88.865   23.702  9.2499  27.728  10.135  -4.026394      13.72165 
1 1 1 -24 -11 49 o 59.707  5.2109  499.862    74.736   521.781    102.328  474.801    109.413  57.040  7.5813  52.001  8.9972  5.039738       11.76543 
1 1 1 -24 -11 50 o 26.434  9.1083  134.087    70.817   174.651    83.036   25.866     135.627  29.170  9.8665  20.452  9.7653  8.718140       13.88194 
1 1 1 -24 -11 51 o 15.290  6.9706  -0.7251    57.177   15.202     64.692   -57.5813   122.228  16.856  7.5754  17.800  8.6830  -0.9445534     11.52307 
1 1 1 -24 -11 52 o 11.395  5.5089  -51.6076   46.399   25.542     59.266   -173.7720  74.578   17.142  7.4977  11.532  5.8073  5.609524       9.483635 
1 1 1 -24 -11 53 o 16.788  7.1265  29.540     50.511   10.897     64.227   59.764     81.777   16.543  7.4809  20.276  8.8394  -3.732214      11.58014 
1 1 1 -24 -11 54 o 25.472  10.628  156.376    109.328  113.122    369.469  160.527    114.453  ?       ?       25.486  10.768  0.000000       10.76796 
1 1 1 -24 -11 55 o 18.476  8.8510  -0.4272    113.416  164.304    310.143  -25.8573   121.856  22.946  11.590  18.122  8.8016  4.823811       14.55331 
1 1 1 -24 -11 56 o 19.684  9.2591  49.574     113.431  189.475    323.076  29.904     121.143  22.355  11.345  19.234  9.1964  3.120779       14.60440 
1 1 1 -24 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -24 -10 2  f 23.394  6.9293  77.463     42.125   0.0000     0.0000   77.463     42.125   ?       ?       23.394  6.9293  0.000000       6.929313 
1 1 1 -24 -10 3  o 26.635  5.0229  94.445     31.272   21.224     61.611   119.854    36.295   18.511  7.8647  30.013  5.1705  -11.50223      9.412091 
1 1 1 -24 -10 4  o 49.630  4.0881  314.134    48.792   350.828    92.596   300.029    57.409   49.346  8.0080  47.922  5.0113  1.424541       9.446751 
1 1 1 -24 -10 5  o 67.221  6.0728  605.431    97.982   742.825    194.176  558.497    113.490  65.332  12.707  62.951  7.5826  2.380589       14.79710 
1 1 1 -24 -10 6  o 64.418  6.2162  557.952    95.956   559.530    192.435  557.430    110.700  53.528  14.470  63.197  7.3568  -9.668621      16.23308 
1 1 1 -24 -10 7  o 57.416  4.4729  422.740    61.822   409.536    110.068  428.826    74.722   52.594  8.9453  57.093  5.4605  -4.498756      10.48029 
1 1 1 -24 -10 8  o 31.163  6.0875  132.239    44.379   159.009    70.679   114.817    57.020   32.543  8.7580  28.055  7.9907  4.487686       11.85557 
1 1 1 -24 -10 9  o 22.948  7.3607  73.269     46.429   36.591     120.257  79.694     50.331   23.985  10.580  23.798  7.6670  0.1873665      13.06553 
1 1 1 -24 -10 10 o 29.147  6.2702  116.469    43.028   75.520     52.483   200.428    75.150   23.330  7.8442  36.884  8.5618  -13.55347      11.61193 
1 1 1 -24 -10 11 o 72.251  3.8585  657.902    67.399   588.901    95.421   726.604    95.213   66.650  5.9634  74.743  5.2841  -8.092911      7.967719 
1 1 1 -24 -10 12 o 46.989  4.6073  283.768    51.854   257.746    70.638   314.179    76.362   43.282  6.9622  48.024  6.7386  -4.742268      9.689225 
1 1 1 -24 -10 13 o 18.921  6.6815  44.780     38.237   129.698    49.363   -82.6083   60.461   30.552  6.8303  12.952  6.2686  17.60033       9.270858 
1 1 1 -24 -10 14 o 33.904  5.9156  154.227    46.895   184.802    62.617   115.173    70.768   36.306  7.3599  27.917  9.0993  8.389399       11.70318 
1 1 1 -24 -10 15 o 66.166  5.6883  574.572    90.435   490.566    109.238  757.564    161.227  59.226  7.7905  71.546  9.5239  -12.31947      12.30426 
1 1 1 -24 -10 16 o 38.448  7.4407  207.036    66.905   224.538    76.732   151.532    136.644  39.475  8.2755  30.988  12.259  8.487202       14.79111 
1 1 1 -24 -10 17 o 37.086  6.5565  187.379    56.841   106.961    84.044   255.175    77.167   27.188  9.8688  42.549  7.7602  -15.36182      12.55447 
1 1 1 -24 -10 18 o 43.860  5.9197  255.771    61.389   209.585    89.488   296.828    84.373   36.906  9.8207  45.875  7.8629  -8.968681      12.58057 
1 1 1 -24 -10 19 o 67.638  4.4813  583.319    73.129   551.312    105.575  612.840    101.392  63.655  6.9483  67.846  6.2287  -4.190697      9.331368 
1 1 1 -24 -10 20 o 35.533  7.6782  179.220    64.266   220.129    87.166   130.496    95.127   38.108  9.4687  29.243  10.516  8.865395       14.15052 
1 1 1 -24 -10 21 o 20.895  8.1966  48.239     60.601   45.079     81.007   52.254     91.323   22.115  9.1807  23.273  9.7118  -1.158066      13.36432 
1 1 1 -24 -10 22 o 41.836  11.144  285.516    115.158  328.185    240.577  272.834    131.161  38.228  15.842  39.518  12.334  -1.290180      20.07714 
1 1 1 -24 -10 23 o 71.109  8.3579  722.414    141.456  658.850    276.119  745.032    164.713  51.061  17.963  70.139  9.9580  -19.07763      20.53842 
1 1 1 -24 -10 24 o 27.178  10.917  101.757    110.013  94.997     238.065  103.593    124.054  30.221  13.942  27.675  11.414  2.545786       18.01821 
1 1 1 -24 -10 25 o 19.027  7.9428  26.760     61.113   23.366     80.959   31.256     93.176   20.575  8.8827  21.986  9.5106  -1.411303      13.01365 
1 1 1 -24 -10 26 o 35.758  8.3360  187.866    70.992   299.894    99.155   70.043     101.688  44.390  9.4934  24.750  10.281  19.63947       13.99397 
1 1 1 -24 -10 27 o 68.075  5.0915  602.575    83.491   673.256    116.603  528.211    119.603  70.020  6.9552  60.453  8.3790  9.566933       10.88955 
1 1 1 -24 -10 28 o 78.841  4.6408  799.087    88.388   823.437    126.862  776.118    123.215  77.601  6.8063  75.316  6.8163  2.285660       9.632580 
1 1 1 -24 -10 29 o 62.213  7.3979  542.171    109.486  542.171    109.486  0.0000     0.0000   62.213  7.3979  ?       ?       0.000000       7.397899 
1 1 1 -24 -10 30 o 53.776  7.9614  415.118    100.742  415.118    100.742  0.0000     0.0000   53.776  7.9614  ?       ?       0.000000       7.961377 
1 1 1 -24 -10 31 o 41.128  9.1009  257.606    88.417   257.606    88.417   0.0000     0.0000   41.128  9.1009  ?       ?       0.000000       9.100877 
1 1 1 -24 -10 32 o 29.851  8.3198  133.718    62.514   160.668    87.013   104.968    89.873   31.467  10.075  26.496  10.089  4.970577       14.25831 
1 1 1 -24 -10 33 o 9.1456  4.5689  -103.7243  41.782   -93.2284   67.478   -110.2508  53.209   13.413  6.5225  10.831  5.3685  2.581771       8.447725 
1 1 1 -24 -10 34 f 91.852  5.8631  1129.96    129.989  1214.82    169.113  1007.44    203.214  92.352  7.6147  78.255  11.007  14.09761       13.38387 
1 1 1 -24 -10 35 f 25.143  8.7231  94.827     65.007   143.740    88.034   36.173     96.403   29.501  10.156  21.940  9.5802  7.561337       13.96152 
1 1 1 -24 -10 36 o 12.173  5.7089  -33.0962   42.583   3.3868     74.093   -51.0907   52.036   18.329  8.1815  12.783  6.0885  5.545585       10.19832 
1 1 1 -24 -10 37 o 27.893  7.4077  115.168    50.979   66.599     75.277   156.314    69.286   22.566  9.0428  31.524  8.7492  -8.957624      12.58256 
1 1 1 -24 -10 38 o 19.798  7.3677  51.607     47.320   75.493     69.768   31.258     64.395   22.985  8.8558  19.100  8.0738  3.884470       11.98380 
1 1 1 -24 -10 39 o 13.518  6.1767  -16.1530   45.221   0.0137     63.985   -32.2870   63.920   16.878  7.5633  15.138  7.0654  1.739457       10.34999 
1 1 1 -24 -10 40 o 25.725  9.6149  110.471    80.760   91.443     254.006  112.611    85.180   26.743  12.919  25.853  9.8277  0.8891640      16.23241 
1 1 1 -24 -10 41 o 22.802  9.2277  77.059     79.230   156.538    274.544  69.838     82.751   27.481  13.315  22.376  9.2834  5.104412       16.23159 
1 1 1 -24 -10 42 o 22.676  8.6532  80.302     66.198   0.0000     0.0000   80.302     66.198   ?       ?       22.676  8.6532  0.000000       8.653195 
1 1 1 -24 -10 43 o 21.064  8.5450  63.306     68.118   0.0000     0.0000   63.306     68.118   ?       ?       21.064  8.5450  0.000000       8.545037 
1 1 1 -24 -10 44 o 18.567  7.8294  38.043     60.322   0.0000     0.0000   38.043     60.322   ?       ?       18.567  7.8294  0.000000       7.829371 
1 1 1 -24 -10 45 o 27.457  7.8088  123.743    54.496   9.3200     90.011   189.955    68.471   18.604  8.5791  33.616  8.4143  -15.01140      12.01671 
1 1 1 -24 -10 46 o 13.942  6.2859  -2.7483    44.963   -12.2452   63.002   7.1100     64.189   15.387  7.1243  16.539  7.4788  -1.151435      10.32903 
1 1 1 -24 -10 47 o 25.291  8.2953  112.098    58.782   245.980    81.595   -32.3504   84.754   37.013  9.1399  16.329  7.7752  20.68378       11.99966 
1 1 1 -24 -10 48 o 19.349  7.6062  56.190     52.290   106.532    69.143   -11.0705   79.922   23.967  8.9086  16.727  7.8371  7.239584       11.86520 
1 1 1 -24 -10 49 o 23.832  8.7580  104.365    66.481   112.989    76.257   77.047     135.719  24.188  9.2737  22.081  10.302  2.107031       13.86137 
1 1 1 -24 -10 50 o 28.337  9.2298  153.757    72.817   166.605    85.077   118.562    140.809  28.299  9.9692  23.536  10.808  4.763712       14.70355 
1 1 1 -24 -10 51 o 15.544  6.9172  9.9295     52.527   26.134     65.322   -19.7218   88.361   17.609  7.7806  16.985  8.0442  0.6243324      11.19138 
1 1 1 -24 -10 52 o 26.589  8.1240  122.621    57.246   17.258     73.002   290.869    92.250   17.586  7.9619  39.346  9.7197  -21.76021      12.56437 
1 1 1 -24 -10 53 o 14.740  7.1503  -63.9940   79.788   8.9350     302.065  -69.4640   82.726   22.495  11.370  14.829  7.2135  7.666035       13.46491 
1 1 1 -24 -10 54 o 24.611  10.890  152.371    128.419  -30.7761   321.414  187.161    140.086  21.945  11.154  25.765  11.389  -3.820715      15.94130 
1 1 1 -24 -10 55 o 18.447  8.8060  3.7339     110.148  22.265     316.650  1.1829     117.485  21.763  11.063  18.649  8.9536  3.113529       14.23225 
1 1 1 -24 -9  1  o 45.636  6.5734  286.297    70.689   0.0000     0.0000   286.297    70.689   ?       ?       45.636  6.5734  0.000000       6.573407 
1 1 1 -24 -9  2  o 59.480  4.0627  450.177    58.284   457.055    125.633  448.291    65.792   54.301  9.9000  58.944  4.6375  -4.642895      10.93236 
1 1 1 -24 -9  3  o 43.845  5.1521  252.339    53.766   270.252    79.569   237.288    72.936   43.385  7.8475  40.745  7.6586  2.640022       10.96533 
1 1 1 -24 -9  4  f 26.241  5.5646  93.116     34.332   156.478    70.924   73.725     39.235   32.145  8.8246  22.990  6.6533  9.155737       11.05171 
1 1 1 -24 -9  5  o 9.1440  4.4195  -43.8772   29.806   -210.9479  126.796  -34.1053   30.665   16.835  8.3339  9.8915  4.7004  6.943739       9.568101 
1 1 1 -24 -9  6  o 31.100  5.6298  129.763    40.920   203.070    79.704   103.526    47.683   36.683  9.0181  27.006  7.1604  9.677725       11.51514 
1 1 1 -24 -9  7  o 39.708  4.9351  205.389    46.523   142.171    75.836   243.539    58.911   30.484  9.3566  42.733  5.8340  -12.24908      11.02636 
1 1 1 -24 -9  8  o 32.902  4.6662  140.594    36.208   170.042    45.008   86.575     60.959   35.901  5.3284  24.735  8.4533  11.16650       9.992476 
1 1 1 -24 -9  9  o 18.580  6.8541  40.852     40.775   13.649     47.978   111.598    77.371   16.539  6.9789  27.459  9.5171  -10.91943      11.80172 
1 1 1 -24 -9  10 o 27.867  6.1793  106.057    40.687   54.493     54.275   172.210    61.475   21.088  7.8821  34.926  7.4797  -13.83776      10.86613 
1 1 1 -24 -9  11 o 29.935  6.1887  121.891    43.467   144.360    57.746   92.518     66.024   31.874  7.5777  25.537  8.7949  6.337196       11.60915 
1 1 1 -24 -9  12 o 53.567  4.4279  366.028    57.036   351.829    78.090   382.262    83.503   51.173  6.4311  53.225  6.6080  -2.051205      9.220909 
1 1 1 -24 -9  13 o 43.462  5.1055  245.510    52.815   225.226    72.532   268.404    77.057   39.956  7.7612  43.893  7.5049  -3.937557      10.79627 
1 1 1 -24 -9  14 o 68.250  6.0937  616.381    99.851   558.178    124.975  719.118    166.040  62.658  8.4344  68.977  10.231  -6.318447      13.25936 
1 1 1 -24 -9  15 o 53.621  7.0651  392.404    89.683   418.700    110.349  341.241    153.921  53.928  8.7316  43.596  13.321  10.33246       15.92805 
1 1 1 -24 -9  16 o 45.279  8.0095  289.617    84.778   216.242    101.687  456.872    153.527  36.885  10.722  52.444  12.281  -15.55927      16.30257 
1 1 1 -24 -9  17 o 40.770  6.3050  223.370    60.359   248.987    87.869   200.484    83.054   41.103  9.0550  36.558  9.3313  4.544411       13.00256 
1 1 1 -24 -9  18 o 55.617  5.0489  399.572    67.393   363.551    96.611   433.714    94.056   50.722  8.1241  56.438  7.0200  -5.715702      10.73687 
1 1 1 -24 -9  19 o 62.695  5.0990  507.784    76.896   438.141    108.773  577.362    108.723  55.543  8.3277  65.215  6.9792  -9.671959      10.86553 
1 1 1 -24 -9  20 f 53.577  5.6151  376.534    71.911   348.551    102.523  403.634    100.892  48.859  8.9788  53.539  8.0127  -4.679844      12.03423 
1 1 1 -24 -9  21 o 58.359  5.9369  450.323    82.897   449.102    103.073  452.560    139.493  56.783  7.6779  53.447  11.118  3.336071       13.51181 
1 1 1 -24 -9  22 o 16.839  8.0556  -88.8280   93.228   -259.2966  201.325  -42.2946   105.186  21.459  10.601  19.683  9.1454  1.775431       14.00037 
1 1 1 -24 -9  23 o 48.962  10.439  372.966    120.226  352.873    238.755  379.792    139.156  39.424  15.996  47.531  12.050  -8.107227      20.02672 
1 1 1 -24 -9  24 f 21.897  8.1567  60.525     58.026   79.161     76.816   35.761     88.550   24.482  9.3264  22.008  9.3914  2.473530       13.23562 
1 1 1 -24 -9  25 o 18.451  7.5667  27.786     54.135   55.295     70.297   -12.3017   84.859   22.101  8.7774  18.995  8.5933  3.106560       12.28356 
1 1 1 -24 -9  26 o 42.088  6.7541  243.248    66.642   274.736    89.551   204.167    99.766   43.067  8.8651  35.402  10.705  7.664997       13.89884 
1 1 1 -24 -9  27 o 16.037  7.1960  -10.5132   58.125   -12.6973   75.485   -7.3319    91.101   17.958  8.1163  19.753  8.9231  -1.795475      12.06215 
1 1 1 -24 -9  28 o 29.969  9.7930  140.312    81.951   140.312    81.951   0.0000     0.0000   29.969  9.7930  ?       ?       0.000000       9.792974 
1 1 1 -24 -9  29 o 24.566  9.3982  82.213     78.212   82.213     78.212   0.0000     0.0000   24.566  9.3982  ?       ?       0.000000       9.398231 
1 1 1 -24 -9  30 o 50.124  8.4114  366.812    98.677   366.812    98.677   0.0000     0.0000   50.124  8.4114  ?       ?       0.000000       8.411412 
1 1 1 -24 -9  31 o 72.876  5.3045  696.281    93.153   768.728    133.418  627.368    130.122  73.882  7.5484  65.733  8.3464  8.148537       11.25349 
1 1 1 -24 -9  32 o 70.988  4.9840  655.870    85.303   641.299    130.101  666.857    112.976  66.504  8.2389  69.649  6.7707  -3.144989      10.66404 
1 1 1 -24 -9  33 o 92.363  5.5005  1126.46    122.713  1309.51    152.806  794.025    205.930  98.131  6.4536  65.943  13.329  32.18788       14.80885 
1 1 1 -24 -9  34 o 25.261  8.4300  94.741     60.610   63.355     79.834   137.447    93.124   22.855  9.2580  29.006  10.407  -6.151175      13.92916 
1 1 1 -24 -9  35 o 15.188  6.9341  -18.7927   56.844   3.2725     79.307   -42.1054   81.518   18.893  8.4466  16.949  7.9329  1.943974       11.58780 
1 1 1 -24 -9  36 o 54.514  5.0218  391.216    65.678   424.527    103.208  368.546    85.143   53.578  8.1999  51.044  7.0638  2.533779       10.82291 
1 1 1 -24 -9  37 o 28.416  7.5299  120.001    52.751   163.279    75.766   79.284     73.490   31.808  9.2572  23.569  9.0867  8.239033       12.97170 
1 1 1 -24 -9  38 o 21.723  7.7128  67.238     51.019   120.270    78.067   27.701     67.406   27.117  9.5500  19.097  8.1725  8.020470       12.56951 
1 1 1 -24 -9  39 o 15.378  6.6838  7.2725     46.460   34.275     72.876   -11.2173   60.305   19.826  8.4914  15.821  7.1916  4.005219       11.12762 
1 1 1 -24 -9  40 o 35.020  10.172  216.757    91.563   334.799    267.124  201.042    97.467   31.946  14.748  32.950  10.675  -1.004652      18.20610 
1 1 1 -24 -9  41 o 36.830  10.126  241.055    93.301   0.0000     0.0000   241.055    93.301   ?       ?       36.830  10.126  0.000000       10.12588 
1 1 1 -24 -9  42 o 24.250  9.0537  97.542     71.569   0.0000     0.0000   97.542     71.569   ?       ?       24.250  9.0537  0.000000       9.053652 
1 1 1 -24 -9  43 o 18.639  8.0950  30.072     68.046   0.0000     0.0000   30.072     68.046   ?       ?       18.639  8.0950  0.000000       8.095033 
1 1 1 -24 -9  44 o 28.785  7.7836  133.658    55.670   153.970    81.790   116.125    75.989   28.528  9.7909  25.354  9.3560  3.173319       13.54244 
1 1 1 -24 -9  45 o 41.008  6.2289  245.145    60.029   195.064    86.152   292.403    83.688   31.710  10.011  41.973  8.5087  -10.26278      13.13877 
1 1 1 -24 -9  46 o 55.142  5.5765  430.043    73.587   273.784    96.084   651.716    114.442  37.501  10.261  64.598  7.4371  -27.09637      12.67316 
1 1 1 -24 -9  47 o 26.802  8.4961  127.515    61.997   74.744     78.467   215.189    101.141  21.408  8.9733  31.086  10.875  -9.678083      14.09927 
1 1 1 -24 -9  48 f 18.773  7.7102  48.300     56.309   112.433    72.103   -51.9595   90.152   24.418  9.0931  16.039  7.7356  8.378878       11.93834 
1 1 1 -24 -9  49 o 29.212  9.3017  163.138    74.247   103.892    86.603   327.474    144.235  23.266  9.5593  33.574  12.782  -10.30780      15.96136 
1 1 1 -24 -9  50 o 21.349  8.4288  76.355     64.472   14.548     73.174   290.822    136.308  17.464  7.9323  32.264  12.392  -14.79996      14.71329 
1 1 1 -24 -9  51 o 22.716  8.2245  88.987     58.317   81.891     73.075   101.433    96.778   21.841  8.8539  23.086  9.8339  -1.244873      13.23243 
1 1 1 -24 -9  52 o 11.471  5.5509  -53.5599   47.364   -47.0712   57.892   -66.6956   82.369   13.139  6.3020  14.949  7.2547  -1.809824      9.609699 
1 1 1 -24 -9  53 o 24.419  10.648  136.130    118.713  395.677    318.340  94.207     127.941  26.423  13.102  22.554  10.337  3.868853       16.68879 
1 1 1 -24 -9  54 o 17.157  8.3751  -58.6009   114.270  -387.0932  307.180  -5.8427    123.105  ?       ?       18.937  9.1102  0.000000       9.110191 
1 1 1 -24 -9  55 o 14.710  7.3059  -118.9503  100.540  -268.8658  307.703  -101.0320  106.379  ?       ?       15.486  7.6600  0.000000       7.660047 
1 1 1 -24 -8  1  o 29.808  6.1100  121.841    42.707   74.295     78.757   141.646    50.829   23.883  9.3510  31.797  6.7944  -7.914209      11.55873 
1 1 1 -24 -8  2  o 32.554  4.5444  137.699    34.917   132.191    64.752   139.958    41.462   29.706  8.5329  32.365  5.4750  -2.659092      10.13832 
1 1 1 -24 -8  3  o 34.101  4.8252  151.951    38.810   92.949     72.986   175.211    45.826   25.434  9.2021  36.375  5.3522  -10.94090      10.64540 
1 1 1 -24 -8  4  o 21.167  7.4887  59.059     48.056   50.210     129.082  60.483     51.778   25.002  10.997  21.495  7.7548  3.506355       13.45623 
1 1 1 -24 -8  5  o 48.239  6.7343  318.182    76.674   347.375    170.669  310.800    85.823   41.860  14.145  46.780  7.8383  -4.919926      16.17174 
1 1 1 -24 -8  6  o 45.243  4.1157  260.514    44.687   265.934    66.378   256.020    60.432   44.359  6.3481  43.860  5.8224  0.4983749      8.613867 
1 1 1 -24 -8  7  f 41.852  3.9678  222.306    39.811   201.895    55.316   244.239    57.341   38.758  6.0823  42.971  5.6354  -4.213406      8.291729 
1 1 1 -24 -8  8  o 35.147  6.1652  166.838    50.660   158.794    59.618   187.735    96.093   33.480  7.5223  34.312  10.533  -0.8323212     12.94289 
1 1 1 -24 -8  9  o 45.824  4.8164  270.939    52.751   212.327    68.866   354.157    82.058   38.858  7.5761  51.053  6.7928  -12.19469      10.17544 
1 1 1 -24 -8  10 o 58.429  4.2093  432.949    59.276   381.510    82.215   488.635    85.542   53.281  6.4937  60.893  5.8620  -7.611961      8.748172 
1 1 1 -24 -8  11 o 75.706  4.1058  723.724    75.139   763.430    107.397  685.652    105.163  76.256  5.8490  72.037  6.0731  4.218384       8.431673 
1 1 1 -24 -8  12 o 47.694  5.0617  294.424    57.681   327.771    82.185   262.052    80.975   48.934  7.1315  43.015  8.0544  5.919098       10.75783 
1 1 1 -24 -8  13 o 52.706  4.8646  357.173    61.510   324.831    88.259   387.718    85.771   48.213  7.8118  53.604  6.7437  -5.391182      10.32000 
1 1 1 -24 -8  14 o 18.479  8.0855  4.7579     68.976   -15.4965   82.064   53.503     127.309  18.739  8.4665  25.631  11.102  -6.892473      13.96212 
1 1 1 -24 -8  15 o 28.069  9.4931  115.120    76.871   71.255     93.063   209.315    136.376  24.870  10.023  35.106  12.594  -10.23639      16.09608 
1 1 1 -24 -8  16 o 26.707  7.7763  100.993    53.452   87.952     86.951   108.915    67.770   25.849  9.9046  27.449  8.9022  -1.600233      13.31726 
1 1 1 -24 -8  17 o 38.211  6.1010  195.072    54.662   215.057    78.099   175.881    76.532   38.555  8.5705  34.470  9.0390  4.084480       12.45623 
1 1 1 -24 -8  18 o 23.179  7.5842  73.368     49.146   65.117     71.103   80.917     68.006   23.211  8.9409  24.539  8.8820  -1.328129      12.60271 
1 1 1 -24 -8  19 o 49.454  5.5966  320.426    65.975   293.728    89.529   352.153    97.597   45.301  8.4560  49.754  8.3823  -4.453022      11.90656 
1 1 1 -24 -8  20 o 52.700  5.4660  362.478    68.877   287.443    94.369   448.019    100.759  44.249  9.0935  57.016  7.4624  -12.76700      11.76346 
1 1 1 -24 -8  21 o 73.125  7.5482  737.102    132.004  689.628    230.165  760.371    161.139  59.322  15.733  71.957  9.4584  -12.63417      18.35723 
1 1 1 -24 -8  22 o 44.952  10.541  315.577    112.985  220.708    212.343  353.044    133.444  34.685  14.661  46.185  11.849  -11.50047      18.85106 
1 1 1 -24 -8  23 o 48.810  10.044  363.413    114.981  71.181     238.484  451.916    131.243  30.017  13.885  54.243  10.349  -24.22598      17.31753 
1 1 1 -24 -8  24 o 39.941  6.9841  220.067    65.219   196.100    89.704   246.943    94.992   35.473  9.9944  40.083  9.8397  -4.609890      14.02524 
1 1 1 -24 -8  25 o 46.292  6.1877  287.544    67.764   223.838    91.353   365.483    101.043  38.041  9.8273  50.209  8.6034  -12.16810      13.06122 
1 1 1 -24 -8  26 o 50.385  6.0600  339.257    72.601   347.344    100.132  330.295    105.418  48.674  8.8023  46.645  9.6332  2.029430       13.04915 
1 1 1 -24 -8  27 o 60.284  6.7550  495.312    97.109   431.657    115.916  645.145    177.840  53.871  9.1981  61.894  12.275  -8.022606      15.33913 
1 1 1 -24 -8  28 o 18.446  8.2316  -2.5862    74.958   -2.5862    74.958   0.0000     0.0000   18.446  8.2316  ?       ?       0.000000       8.231606 
1 1 1 -24 -8  29 o 40.420  9.3245  249.271    89.586   249.271    89.586   0.0000     0.0000   40.420  9.3245  ?       ?       0.000000       9.324452 
1 1 1 -24 -8  30 o 36.860  7.7181  195.408    66.816   163.839    89.211   235.742    100.837  31.908  10.200  38.003  10.558  -6.094784      14.67993 
1 1 1 -24 -8  31 o 45.758  7.1488  292.775    76.775   272.428    103.644  317.513    114.286  41.100  10.388  44.078  10.776  -2.977200      14.96779 
1 1 1 -24 -8  32 o 45.152  5.3684  269.627    57.662   273.729    95.441   267.269    72.362   41.967  9.5832  43.707  7.0643  -1.739880      11.90554 
1 1 1 -24 -8  33 o 69.226  6.3045  649.672    104.737  778.479    134.637  452.247    166.685  74.127  7.5926  48.387  13.621  25.73987       15.59385 
1 1 1 -24 -8  34 o 27.771  8.7562  117.912    65.919   103.773    83.997   140.582    106.361  26.220  9.8045  29.133  11.004  -2.913403      14.73834 
1 1 1 -24 -8  35 f 24.779  8.6129  90.992     63.390   29.909     80.671   189.584    102.489  20.564  8.8725  33.030  10.959  -12.46602      14.10062 
1 1 1 -24 -8  36 o 53.629  5.0670  379.100    65.153   348.129    95.787   405.768    88.882   48.148  8.5102  53.673  6.9907  -5.524910      11.01337 
1 1 1 -24 -8  37 o 35.150  6.7683  175.582    55.632   181.743    85.098   170.984    73.518   33.023  9.8642  32.846  8.9711  0.1763611      13.33351 
1 1 1 -24 -8  38 o 27.450  7.4116  112.269    50.519   43.150     77.249   163.922    66.779   20.849  8.8296  32.482  8.4077  -11.63255      12.19227 
1 1 1 -24 -8  39 o 34.885  9.6506  204.555    84.444   364.916    307.259  191.454    87.826   32.546  15.287  33.228  10.043  -0.6819534     18.29030 
1 1 1 -24 -8  40 o 17.773  7.8907  10.201     67.972   0.0000     0.0000   10.201     67.972   ?       ?       17.773  7.8907  0.000000       7.890728 
1 1 1 -24 -8  41 o 14.406  6.7962  -39.6143   61.948   0.0000     0.0000   -39.6143   61.948   ?       ?       14.406  6.7962  0.000000       6.796228 
1 1 1 -24 -8  42 o 20.056  8.3412  48.834     67.044   0.0000     0.0000   48.834     67.044   ?       ?       20.056  8.3412  0.000000       8.341206 
1 1 1 -24 -8  43 o 12.463  5.7998  -23.2073   42.574   -57.5185   70.508   -3.5191    53.410   14.494  6.9526  15.139  6.8361  -0.6453400     9.750379 
1 1 1 -24 -8  44 o 36.921  6.4529  200.153    55.704   158.078    83.040   234.577    75.111   28.799  9.8661  37.795  8.4075  -8.995504      12.96246 
1 1 1 -24 -8  45 o 23.801  7.5513  91.691     48.967   114.010    72.476   72.947     66.419   25.035  9.1527  21.450  8.5277  3.585197       12.50976 
1 1 1 -24 -8  46 f 40.982  7.3954  263.227    70.834   190.048    92.206   368.598    110.644  30.194  10.394  43.507  10.583  -13.31323      14.83317 
1 1 1 -24 -8  47 o 15.849  7.0589  10.318     54.833   -50.0700   68.291   119.886    91.988   14.220  6.8269  24.432  9.9235  -10.21249      12.04504 
1 1 1 -24 -8  48 o 29.597  8.4488  153.675    63.671   154.571    82.193   152.330    100.684  27.636  9.7920  26.221  10.475  1.415646       14.33938 
1 1 1 -24 -8  49 o 16.759  7.5130  14.316     63.205   0.7644     69.502   79.111     151.971  16.506  7.5848  22.467  10.613  -5.960709      13.04485 
1 1 1 -24 -8  50 o 21.125  8.4109  73.277     64.701   106.530    73.830   -36.7972   134.327  23.859  9.1304  18.983  9.2246  4.875673       12.97910 
1 1 1 -24 -8  51 o 25.626  8.3460  115.472    59.541   67.158     76.178   191.325    95.451   20.842  8.7942  29.682  10.548  -8.839514      13.73340 
1 1 1 -24 -8  52 o 15.378  6.8879  6.4326     52.996   -10.7628   66.292   36.884     88.218   15.665  7.2722  19.424  8.7770  -3.759333      11.39828 
1 1 1 -24 -8  53 o 21.578  9.8275  73.468     113.294  100.089    311.325  69.404     121.633  23.336  11.766  21.543  9.9479  1.792715       15.40739 
1 1 1 -24 -8  54 o 27.529  11.542  216.060    129.881  441.171    327.503  174.049    141.482  26.007  12.961  25.046  11.234  0.9610386      17.15131 
1 1 1 -24 -8  55 o 20.080  9.3660  54.434     112.058  84.128     317.865  50.220     119.746  21.995  11.171  20.082  9.4665  1.912619       14.64282 
1 1 1 -24 -7  1  o 20.094  5.2012  54.341     25.556   43.018     46.070   59.374     30.714   19.154  7.2404  20.867  5.8373  -1.713503      9.300364 
1 1 1 -24 -7  2  o 15.402  5.7229  26.147     28.529   -13.0312   59.817   37.683     32.458   16.092  7.2533  17.457  6.1568  -1.364735      9.514026 
1 1 1 -24 -7  3  o 12.480  5.5862  -9.7309    34.798   -7.0418    54.706   -11.5584   45.098   15.817  7.0472  14.109  6.3343  1.707279       9.475550 
1 1 1 -24 -7  4  o 59.407  6.1966  472.423    88.007   501.953    181.115  463.295    100.695  51.667  14.068  57.771  7.3498  -6.104996      15.87234 
1 1 1 -24 -7  5  o 35.485  4.5845  162.762    38.550   163.885    58.873   161.920    51.004   34.098  7.3336  34.489  6.3281  -0.3905067     9.686449 
1 1 1 -24 -7  6  o 35.065  4.3408  157.875    36.144   118.280    49.896   201.588    52.427   28.992  7.1400  38.960  5.7159  -9.967548      9.146133 
1 1 1 -24 -7  7  o 53.611  4.1509  364.608    53.574   301.110    74.504   432.595    77.092   47.082  6.7117  57.431  5.6037  -10.34874      8.743454 
1 1 1 -24 -7  8  o 28.493  6.9757  113.261    47.839   142.551    55.878   32.865     92.577   31.818  7.3806  22.255  9.5523  9.563183       12.07149 
1 1 1 -24 -7  9  o 12.949  5.9555  -24.6743   42.981   1.5612     56.576   -60.4840   66.097   16.770  7.3306  14.670  6.9507  2.099681       10.10192 
1 1 1 -24 -7  10 o 39.499  5.7761  206.504    53.723   173.620    76.051   239.259    75.901   34.219  9.0286  41.202  7.8792  -6.983673      11.98324 
1 1 1 -24 -7  11 o 38.073  5.9375  192.781    53.062   182.940    77.327   201.539    72.946   35.187  9.0160  37.521  8.2382  -2.333546      12.21296 
1 1 1 -24 -7  12 o 41.745  5.5432  228.524    54.758   187.741    82.114   261.182    73.481   35.426  9.3981  43.631  7.1915  -8.204899      11.83394 
1 1 1 -24 -7  13 o 29.449  8.7142  126.257    66.645   108.364    80.993   163.778    117.282  27.505  9.7230  32.193  11.662  -4.687187      15.18369 
1 1 1 -24 -7  14 o 27.277  8.6314  106.655    64.010   107.991    75.541   103.253    120.536  27.425  9.4096  28.163  11.387  -0.7372608     14.77186 
1 1 1 -24 -7  15 o 22.496  8.4847  61.516     63.175   91.309     74.088   -17.8645   120.933  25.795  9.2798  22.169  10.119  3.625740       13.72955 
1 1 1 -24 -7  16 o 27.109  7.4000  102.986    50.039   137.150    69.205   65.556     72.437   30.621  8.8289  23.390  9.0204  7.231136       12.62204 
1 1 1 -24 -7  17 o 29.982  7.0902  124.824    50.770   104.140    69.801   148.060    73.981   26.996  9.0465  31.640  9.1301  -4.644506      12.85295 
1 1 1 -24 -7  18 o 39.980  6.5544  215.707    61.379   273.666    82.591   144.208    91.733   44.112  8.0115  30.790  10.371  13.32139       13.10465 
1 1 1 -24 -7  19 o 44.476  6.2293  263.792    65.381   300.650    88.498   219.501    97.013   46.101  8.2125  37.657  10.314  8.443844       13.18407 
1 1 1 -24 -7  20 o 45.842  5.9338  278.013    64.453   220.969    87.833   344.571    94.876   38.406  9.4821  49.388  8.2051  -10.98193      12.53934 
1 1 1 -24 -7  21 o 36.269  12.034  220.839    123.572  0.0000     0.0000   220.839    123.572  ?       ?       36.269  12.034  0.000000       12.03380 
1 1 1 -24 -7  22 o 25.933  10.214  86.526     94.474   147.107    190.149  66.671     108.860  31.666  13.642  25.287  10.582  6.379482       17.26540 
1 1 1 -24 -7  23 o 34.398  11.217  192.679    107.541  196.021    202.966  191.374    126.804  33.657  14.286  33.751  12.141  -0.9435654E-01 18.74809 
1 1 1 -24 -7  24 o 54.509  5.4296  388.323    70.857   398.178    97.597   377.338    103.039  53.316  7.7728  51.140  8.6096  2.175842       11.59926 
1 1 1 -24 -7  25 o 37.215  7.4484  194.814    64.910   153.798    89.911   239.461    93.806   31.331  10.259  39.431  9.8370  -8.099970      14.21279 
1 1 1 -24 -7  26 o 44.527  8.0755  283.555    84.036   293.097    98.133   257.315    162.732  44.064  9.4611  36.760  13.666  7.303993       16.62169 
1 1 1 -24 -7  27 o 52.785  8.7650  407.300    108.323  407.300    108.323  0.0000     0.0000   52.785  8.7650  ?       ?       0.000000       8.765041 
1 1 1 -24 -7  28 o 14.800  7.1494  -94.3030   77.767   -94.3030   77.767   0.0000     0.0000   14.800  7.1494  ?       ?       0.000000       7.149396 
1 1 1 -24 -7  29 o 29.479  8.9087  131.399    69.115   223.222    95.150   28.839     100.559  37.394  10.203  22.289  9.7573  15.10466       14.11760 
1 1 1 -24 -7  30 o 31.833  8.6266  152.211    68.294   145.081    94.460   160.020    98.854   30.073  10.510  31.262  10.762  -1.188837      15.04291 
1 1 1 -24 -7  31 o 17.424  7.1159  25.085     47.630   157.905    95.877   -18.4344   54.881   31.088  10.602  15.068  6.8537  16.02087       12.62399 
1 1 1 -24 -7  32 o 36.350  6.3553  181.389    54.014   153.705    93.610   195.206    66.133   30.692  10.475  36.822  7.6518  -6.130466      12.97242 
1 1 1 -24 -7  33 o 52.850  6.9759  388.584    87.270   393.718    115.507  381.755    133.217  50.247  9.8260  47.088  11.709  3.158615       15.28567 
1 1 1 -24 -7  34 o 42.100  8.0529  259.478    79.264   295.223    104.614  211.299    121.455  42.726  10.227  34.061  11.917  8.665287       15.70397 
1 1 1 -24 -7  35 f 14.452  6.4160  -4.6344    44.933   104.867    81.838   -51.8885   53.761   26.191  9.7006  13.050  6.2079  13.14138       11.51690 
1 1 1 -24 -7  36 o 25.874  7.2893  97.848     47.719   75.490     74.840   113.164    61.944   23.431  9.1316  27.178  8.4753  -3.747278      12.45865 
1 1 1 -24 -7  37 o 24.235  7.7584  87.117     51.601   172.910    77.173   17.746     69.395   32.742  9.2859  18.701  8.1483  14.04017       12.35406 
1 1 1 -24 -7  38 o 34.833  6.5699  172.090    53.492   113.216    84.599   211.307    69.046   26.388  9.8451  37.601  7.8227  -11.21255      12.57462 
1 1 1 -24 -7  39 f 36.297  9.6376  220.546    86.304   0.0000     0.0000   220.546    86.304   ?       ?       36.297  9.6376  0.000000       9.637637 
1 1 1 -24 -7  40 o 20.623  8.4426  52.132     67.248   0.0000     0.0000   52.132     67.248   ?       ?       20.623  8.4426  0.000000       8.442621 
1 1 1 -24 -7  41 o 30.350  9.3680  158.841    75.899   0.0000     0.0000   158.841    75.899   ?       ?       30.350  9.3680  0.000000       9.367955 
1 1 1 -24 -7  42 o 12.383  5.7236  -19.6731   40.406   10.774     64.861   -38.9835   51.654   17.277  7.6875  13.010  6.1585  4.266651       9.850095 
1 1 1 -24 -7  43 o 14.406  6.4536  -1.9120    46.547   33.092     70.525   -28.9297   61.959   18.973  8.2407  14.727  6.9003  4.245761       10.74812 
1 1 1 -24 -7  44 o 40.615  5.8796  234.999    56.257   -5.9499    79.790   473.185    79.331   17.369  8.0331  58.005  5.7107  -40.63598      9.856120 
1 1 1 -24 -7  45 o 24.866  7.7725  101.832    52.062   137.164    74.714   68.484     72.585   27.104  9.3546  21.169  8.7309  5.935572       12.79599 
1 1 1 -24 -7  46 o 52.788  6.2141  407.416    78.069   434.155    103.118  371.510    119.495  50.752  8.6861  41.921  11.432  8.831146       14.35771 
1 1 1 -24 -7  47 o 34.947  8.1392  204.128    67.732   227.921    89.582   172.375    103.489  33.870  10.122  27.598  10.743  6.271982       14.76001 
1 1 1 -24 -7  48 o 17.080  7.7382  11.760     69.099   13.016     77.511   6.8973     152.515  17.718  8.0925  20.669  9.9918  -2.951092      12.85781 
1 1 1 -24 -7  49 o 18.463  8.0866  35.265     69.150   90.395     77.390   -183.0539  154.006  22.495  9.1142  17.190  8.6147  5.305399       12.54119 
1 1 1 -24 -7  50 o 11.366  5.5382  -63.8668   49.341   -37.9888   60.780   -113.8784  84.495   13.887  6.6046  13.881  6.8591  0.6393433E-02  9.521941 
1 1 1 -24 -7  51 o 18.981  7.7816  49.495     57.232   59.352     71.224   31.531     96.148   20.206  8.5134  19.587  8.9712  0.6187477      12.36776 
1 1 1 -24 -7  52 o 20.047  8.9814  47.999     90.172   159.406    306.950  37.476     94.334   24.250  12.154  19.695  8.9689  4.554630       15.10498 
1 1 1 -24 -7  53 o 21.339  9.7254  69.457     111.199  -259.4211  312.499  117.137    118.987  ?       ?       23.447  10.423  0.000000       10.42348 
1 1 1 -24 -7  54 o 14.834  7.3570  -118.5487  100.561  -94.7217   303.531  -121.4865  106.580  ?       ?       15.195  7.5426  0.000000       7.542600 
1 1 1 -24 -6  1  o 21.768  5.6188  64.353     29.879   80.390     59.256   58.886     34.599   23.948  8.3271  20.783  6.3083  3.164417       10.44682 
1 1 1 -24 -6  2  o 45.776  4.7639  271.046    52.138   340.133    122.699  255.823    57.597   45.589  11.178  44.009  5.5149  1.580910       12.46437 
1 1 1 -24 -6  3  o 61.080  5.9400  495.226    86.920   537.479    156.403  476.345    104.552  57.337  11.640  58.415  7.5533  -1.077412      13.87563 
1 1 1 -24 -6  4  o 46.240  5.1822  278.884    57.143   434.665    163.543  257.220    60.988   49.092  13.369  43.972  5.8621  5.120342       14.59747 
1 1 1 -24 -6  5  o 31.473  4.6220  128.452    34.245   135.133    46.786   120.742    50.260   31.468  6.3465  29.315  7.1336  2.152672       9.548108 
1 1 1 -24 -6  6  o 22.826  5.9899  70.891     33.592   50.441     42.845   103.520    54.120   19.971  7.0704  26.920  7.8209  -6.948908      10.54307 
1 1 1 -24 -6  7  o 41.862  5.5309  230.341    54.804   239.938    74.482   219.012    80.926   41.335  7.7099  38.640  8.8250  2.694798       11.71850 
1 1 1 -24 -6  8  o 63.197  4.3743  507.226    66.664   540.826    95.003   474.635    93.567   63.861  6.2096  59.480  6.5941  4.380428       9.057669 
1 1 1 -24 -6  9  o 45.646  5.2749  270.977    57.347   269.654    80.342   272.351    81.882   43.870  7.8351  43.998  7.9631  -0.1279144     11.17139 
1 1 1 -24 -6  10 o 42.093  5.3983  231.370    53.865   254.601    71.796   201.456    81.472   43.136  7.1071  36.926  9.1417  6.210308       11.57936 
1 1 1 -24 -6  11 o 35.058  6.3921  165.812    52.371   245.639    79.847   105.544    69.379   41.638  8.1951  27.154  9.0173  14.48373       12.18488 
1 1 1 -24 -6  12 o 63.377  4.3773  509.034    66.901   588.576    94.069   427.628    95.165   67.090  5.8368  56.125  7.1504  10.96458       9.230219 
1 1 1 -24 -6  13 o 97.060  5.7712  1225.75    135.303  1286.11    170.787  1124.02    221.726  97.537  7.2686  86.041  10.863  11.49576       13.07018 
1 1 1 -24 -6  14 o 119.831 5.9669  1871.06    173.495  1856.95    223.037  1892.67    276.081  116.129 7.9635  113.161 10.163  2.967552       12.91150 
1 1 1 -24 -6  15 o 97.381  4.5449  1199.84    107.390  1274.60    170.678  1150.84    138.168  97.084  7.2989  93.676  6.1122  3.407822       9.520139 
1 1 1 -24 -6  16 o 115.301 4.2703  1674.04    119.467  1682.38    170.289  1665.96    167.647  113.154 6.2263  112.699 6.1540  0.4550629      8.754330 
1 1 1 -24 -6  17 o 93.586  4.3305  1104.21    98.335   1069.31    141.236  1137.05    136.995  89.794  6.5270  93.106  6.0978  -3.311440      8.932191 
1 1 1 -24 -6  18 o 63.080  5.3618  514.928    81.289   645.886    129.045  428.779    104.665  68.299  7.9347  55.484  8.0062  12.81557       11.27200 
1 1 1 -24 -6  19 o 31.456  8.2809  142.391    64.070   105.288    91.820   177.598    89.444   27.471  10.255  34.060  10.099  -6.588617      14.39309 
1 1 1 -24 -6  20 o 34.151  11.809  190.080    119.093  0.0000     0.0000   190.080    119.093  ?       ?       34.151  11.809  0.000000       11.80915 
1 1 1 -24 -6  21 o 38.622  10.943  237.435    107.225  -174.7380  202.567  397.877    126.383  23.247  11.304  50.870  10.584  -27.62289      15.48520 
1 1 1 -24 -6  22 o 54.512  9.3264  435.731    118.925  583.279    219.947  374.773    141.372  54.071  15.783  47.400  12.215  6.671444       19.95799 
1 1 1 -24 -6  23 o 44.336  6.8679  268.072    71.493   212.055    103.677  318.858    98.718   36.352  10.895  46.657  9.0464  -10.30508      14.16080 
1 1 1 -24 -6  24 o 33.809  8.3561  166.418    68.156   194.768    98.426   140.300    94.471   34.946  10.647  30.144  10.512  4.802338       14.96237 
1 1 1 -24 -6  25 o 37.937  7.5879  203.057    67.407   139.492    96.103   264.613    94.572   29.982  10.592  41.840  9.5287  -11.85850      14.24725 
1 1 1 -24 -6  26 o 42.960  10.458  291.086    107.986  291.086    107.986  0.0000     0.0000   42.960  10.458  ?       ?       0.000000       10.45791 
1 1 1 -24 -6  27 o 76.982  7.4821  822.801    137.993  822.801    137.993  0.0000     0.0000   76.982  7.4821  ?       ?       0.000000       7.482117 
1 1 1 -24 -6  28 o 46.024  7.8974  301.846    85.017   230.942    107.704  419.060    138.480  37.293  11.088  50.307  11.584  -13.01367      16.03526 
1 1 1 -24 -6  29 o 36.331  8.4668  195.000    73.256   187.716    103.304  202.369    103.898  33.613  10.996  34.877  10.993  -1.263836      15.54796 
1 1 1 -24 -6  30 o 44.729  5.7523  266.746    60.983   367.937    109.258  220.956    73.497   49.200  9.4960  39.055  8.0242  10.14508       12.43230 
1 1 1 -24 -6  31 o 40.050  6.3505  218.889    59.655   349.416    109.230  163.410    71.213   47.521  9.7987  32.872  8.7670  14.64808       13.14822 
1 1 1 -24 -6  32 o 59.552  7.1404  493.627    101.119  566.371    137.742  408.598    148.919  60.845  9.6522  47.605  12.669  13.23999       15.92725 
1 1 1 -24 -6  33 o 19.228  8.4001  14.518     74.192   147.524    110.246  -95.5797   100.303  29.789  11.214  17.079  8.2182  12.71044       13.90310 
1 1 1 -24 -6  34 o 91.930  6.4377  1150.78    142.692  1341.68    188.586  895.118    218.240  96.219  8.1543  69.936  13.348  26.28273       15.64141 
1 1 1 -24 -6  35 f 66.666  4.7236  577.216    75.914   598.187    123.694  564.544    96.152   63.964  8.1554  64.401  6.2311  -0.4374580     10.26342 
1 1 1 -24 -6  36 o 17.592  7.4565  20.165     55.165   -64.9597   259.116  24.206     56.459   25.747  12.578  18.044  7.5900  7.703079       14.69035 
1 1 1 -24 -6  37 o 27.818  7.6851  115.885    53.592   30.332     93.243   158.087    65.489   21.211  9.3377  32.071  8.3381  -10.86020      12.51869 
1 1 1 -24 -6  38 o 17.820  7.2430  31.421     49.049   -21.9025   96.024   50.245     57.053   18.833  8.7462  20.170  7.9399  -1.336359      11.81266 
1 1 1 -24 -6  39 o 13.389  6.3298  -42.2880   54.249   0.0000     0.0000   -42.2880   54.249   ?       ?       13.389  6.3298  0.000000       6.329797 
1 1 1 -24 -6  40 o 36.782  9.6534  230.075    87.242   0.0000     0.0000   230.075    87.242   ?       ?       36.782  9.6534  0.000000       9.653419 
1 1 1 -24 -6  41 o 15.204  6.9673  -14.1563   58.097   63.799     279.276  -17.6824   59.397   25.918  12.742  15.162  6.9835  10.75673       14.53057 
1 1 1 -24 -6  42 o 28.601  7.4762  127.101    52.464   61.812     78.236   180.451    70.722   21.418  8.9677  32.954  8.7122  -11.53599      12.50290 
1 1 1 -24 -6  43 o 11.232  5.3872  -45.1153   42.309   -24.6540   63.527   -61.4266   56.720   15.091  7.0434  12.661  6.1135  2.430096       9.326553 
1 1 1 -24 -6  44 o 12.291  5.7888  -30.4688   44.594   85.701     67.562   -120.1454  59.360   22.712  8.7240  11.088  5.5244  11.62428       10.32610 
1 1 1 -24 -6  45 o 17.024  7.3450  24.492     55.283   30.022     68.840   14.447     92.777   18.344  8.0506  18.931  8.7226  -0.5868073     11.86996 
1 1 1 -24 -6  46 o 13.141  6.2470  -38.2773   54.263   -41.8736   67.666   -31.7973   90.830   14.522  6.9238  16.895  8.0460  -2.373006      10.61491 
1 1 1 -24 -6  47 o 24.587  8.5065  107.271    61.799   86.196     77.203   144.860    103.106  22.255  9.0710  25.765  10.490  -3.509907      13.86816 
1 1 1 -24 -6  48 o 25.634  9.2208  125.046    73.147   102.464    81.480   218.814    166.035  23.388  9.3953  27.007  12.137  -3.618723      15.34863 
1 1 1 -24 -6  49 o 24.936  9.3320  119.057    76.124   85.958     85.817   241.251    164.889  22.223  9.3530  27.945  12.354  -5.722805      15.49517 
1 1 1 -24 -6  50 o 39.070  7.3939  240.642    67.526   183.568    87.038   326.937    107.024  30.012  10.102  40.227  10.756  -10.21565      14.75619 
1 1 1 -24 -6  51 o 21.241  8.2703  73.864     61.343   60.621     79.107   93.837     97.150   20.516  8.8187  22.755  9.7766  -2.238806      13.16628 
1 1 1 -24 -6  52 o 17.294  8.3638  -48.1337   107.171  396.889    302.195  -112.1570  114.621  27.113  13.315  16.200  8.0022  10.91268       15.53421 
1 1 1 -24 -6  53 o 15.395  7.5862  -100.4013  100.916  -157.5008  300.374  -93.1363   107.144  ?       ?       15.992  7.8683  0.000000       7.868265 
1 1 1 -24 -6  54 o 17.169  8.3098  -35.7171   106.252  131.125    309.309  -58.0389   113.137  22.755  11.501  16.954  8.2884  5.800241       14.17668 
1 1 1 -24 -5  1  o 55.752  4.3429  396.889    58.287   429.464    71.916   334.527    99.506   57.386  5.2220  47.566  8.9501  9.819756       10.36213 
1 1 1 -24 -5  2  o 60.774  5.8438  488.803    85.112   450.560    152.201  506.204    102.665  51.413  12.354  60.691  7.1061  -9.278301      14.25223 
1 1 1 -24 -5  3  o 48.283  6.4304  314.513    73.463   276.485    135.223  330.436    87.502   39.562  12.548  48.514  7.6898  -8.952358      14.71710 
1 1 1 -24 -5  4  o 44.817  3.9799  254.471    42.828   207.915    58.925   306.609    62.357   39.180  6.4207  48.406  5.4013  -9.225334      8.390449 
1 1 1 -24 -5  5  o 39.327  4.2772  197.489    40.157   191.944    54.881   203.879    58.914   37.777  6.2026  38.785  6.4896  -1.007557      8.977068 
1 1 1 -24 -5  6  o 61.311  4.7630  481.684    70.300   520.442    93.803   432.019    106.184  62.568  6.2628  55.360  8.1487  7.207893       10.27734 
1 1 1 -24 -5  7  o 45.655  4.6414  267.164    50.701   361.670    73.459   181.187    70.066   52.389  5.8803  35.481  8.2882  16.90858       10.16233 
1 1 1 -24 -5  8  o 13.401  5.8325  -1.3759    35.475   10.165     52.150   -11.3160   48.398   16.892  7.2076  14.757  6.5979  2.134392       9.771464 
1 1 1 -24 -5  9  o 63.077  4.4674  505.333    67.931   465.909    92.785   550.880    99.730   59.043  6.5889  64.340  6.4762  -5.297352      9.238762 
1 1 1 -24 -5  10 o 61.154  4.5227  475.362    66.634   421.846    91.292   536.381    97.481   55.977  6.8653  63.577  6.4064  -7.599762      9.390103 
1 1 1 -24 -5  11 o 65.415  4.4833  542.917    70.731   488.431    97.554   603.305    102.702  60.378  6.7758  67.541  6.3411  -7.162907      9.280155 
1 1 1 -24 -5  12 o 70.932  6.1883  662.053    105.439  684.962    131.598  620.979    176.213  70.578  7.8157  62.475  12.061  8.102661       14.37206 
1 1 1 -24 -5  13 o 59.595  6.8663  476.533    97.473   526.246    123.391  394.021    158.966  61.133  8.5525  47.986  13.227  13.14767       15.75140 
1 1 1 -24 -5  14 o 20.817  8.7586  28.717     75.216   41.273     92.587   4.3478     128.987  23.045  9.7080  23.778  10.691  -0.7322788     14.44069 
1 1 1 -24 -5  15 o 19.516  7.5648  39.629     51.147   61.692     77.768   22.810     67.899   23.476  9.2609  19.703  8.3075  3.772608       12.44101 
1 1 1 -24 -5  16 o 51.171  5.3305  339.017    65.213   335.996    96.676   341.541    88.338   48.747  8.4815  49.885  7.5328  -1.138165      11.34364 
1 1 1 -24 -5  17 o 73.449  4.5913  685.107    81.414   782.758    118.530  597.890    112.019  76.946  6.4068  66.639  7.0341  10.30705       9.514524 
1 1 1 -24 -5  18 o 63.979  5.0995  526.093    78.506   621.813    115.785  444.644    106.805  67.839  7.1413  56.564  8.0055  11.27485       10.72784 
1 1 1 -24 -5  19 o 62.901  5.4890  513.425    82.935   389.414    137.161  584.893    104.126  49.397  11.635  66.267  6.5622  -16.86931      13.35824 
1 1 1 -24 -5  20 o 58.489  10.287  514.239    140.660  0.0000     0.0000   514.239    140.660  ?       ?       58.489  10.287  0.000000       10.28686 
1 1 1 -24 -5  21 o 25.458  10.295  75.450     98.530   157.055    191.294  45.982     114.951  32.380  13.810  24.613  10.605  7.767094       17.41224 
1 1 1 -24 -5  22 o 43.984  10.592  301.011    111.698  108.569    203.022  384.547    133.762  30.636  13.618  48.997  11.456  -18.36168      17.79548 
1 1 1 -24 -5  23 o 62.118  5.4478  502.449    81.282   466.021    117.213  536.194    112.814  56.910  8.7701  62.239  7.6301  -5.328632      11.62468 
1 1 1 -24 -5  24 o 48.156  6.9406  316.632    78.756   376.207    120.713  272.480    103.920  49.372  10.405  41.868  10.300  7.503754       14.64066 
1 1 1 -24 -5  25 o 42.040  11.426  290.852    119.595  290.852    119.595  0.0000     0.0000   42.040  11.426  ?       ?       0.000000       11.42551 
1 1 1 -24 -5  26 o 52.854  9.0522  410.725    111.916  410.725    111.916  0.0000     0.0000   52.854  9.0522  ?       ?       0.000000       9.052230 
1 1 1 -24 -5  27 o 60.347  8.3443  521.989    118.914  521.989    118.914  0.0000     0.0000   60.347  8.3443  ?       ?       0.000000       8.344347 
1 1 1 -24 -5  28 o 57.026  6.1084  434.901    83.206   430.395    118.896  439.227    116.485  53.461  9.5143  54.407  9.1484  -0.9450951     13.19909 
1 1 1 -24 -5  29 o 43.678  6.4581  259.710    66.379   377.970    107.682  187.230    84.301   50.321  9.1566  34.648  9.6630  15.67241       13.31234 
1 1 1 -24 -5  30 o 54.455  5.5891  391.975    72.802   519.441    115.561  308.094    93.744   60.212  8.1166  45.608  8.7897  14.60331       11.96406 
1 1 1 -24 -5  31 o 16.993  7.0836  19.218     48.512   -31.1555   93.593   37.723     56.727   18.828  8.7054  19.467  7.8326  -0.6391068     11.71041 
1 1 1 -24 -5  32 o 39.812  9.3713  244.364    89.024   360.024    124.541  123.522    127.300  46.536  11.171  28.442  11.627  18.09436       16.12370 
1 1 1 -24 -5  33 o 47.114  8.6167  329.482    94.874   425.930    131.459  224.639    137.061  50.916  10.965  34.563  12.594  16.35296       16.69853 
1 1 1 -24 -5  34 o 15.933  7.3746  -30.9172   67.425   -29.4200   105.116  -31.9638   87.888   19.708  9.1521  18.090  8.3895  1.618134       12.41550 
1 1 1 -24 -5  35 o 25.135  8.4400  94.221     60.757   181.822    259.097  89.123     62.500   31.012  14.390  24.573  8.5516  6.438572       16.73909 
1 1 1 -24 -5  36 o 17.714  7.2088  29.191     48.663   -13.8874   89.697   47.159     57.929   18.879  8.6534  20.128  7.9760  -1.248638      11.76857 
1 1 1 -24 -5  37 o 16.662  7.0061  18.985     48.082   -53.0997   86.884   50.808     57.728   16.901  7.9964  20.353  7.9948  -3.451794      11.30748 
1 1 1 -24 -5  38 o 16.474  7.3475  -0.0008    59.632   0.0000     0.0000   -0.0008    59.632   ?       ?       16.474  7.3475  0.000000       7.347480 
1 1 1 -24 -5  39 o 45.388  9.2185  331.473    98.057   0.0000     0.0000   331.473    98.057   ?       ?       45.388  9.2185  0.000000       9.218459 
1 1 1 -24 -5  40 o 12.918  6.1598  -48.9711   53.594   -8.3246    273.829  -50.5902   54.651   25.214  12.439  12.996  6.2033  12.21885       13.89966 
1 1 1 -24 -5  41 o 22.497  7.5527  77.245     48.654   10.228     80.868   115.266    60.911   18.628  8.4115  26.571  8.4212  -7.943321      11.90252 
1 1 1 -24 -5  42 o 28.750  7.4073  128.135    51.993   95.998     76.726   155.423    70.701   23.953  9.2707  30.094  8.9916  -6.140688      12.91488 
1 1 1 -24 -5  43 o 43.209  5.9208  265.063    60.444   349.501    88.655   191.723    82.624   47.007  8.0630  32.326  9.7342  14.68139       12.63988 
1 1 1 -24 -5  44 f 14.009  6.3090  -3.5548    45.143   -48.6354   67.783   32.379     60.517   14.400  6.8834  18.078  7.7403  -3.677993      10.35822 
1 1 1 -24 -5  45 o 22.399  8.3380  83.910     60.613   68.235     77.216   109.076    97.838   21.185  8.8919  23.952  10.029  -2.766993      13.40296 
1 1 1 -24 -5  46 o 21.331  8.4078  73.985     64.050   67.877     82.090   83.491     102.403  21.133  9.0308  22.340  9.8112  -1.206415      13.33473 
1 1 1 -24 -5  47 o 17.616  7.7940  24.145     65.761   27.241     72.143   8.9337     159.923  18.200  8.1021  21.007  10.174  -2.807020      13.00598 
1 1 1 -24 -5  48 o 12.868  6.2351  -62.1553   60.216   -35.4034   65.516   -207.7387  152.835  14.517  6.8903  16.825  8.4519  -2.307413      10.90464 
1 1 1 -24 -5  49 o 16.771  7.3904  19.179     58.544   0.0027     73.581   52.262     96.645   16.856  7.7672  20.582  9.2537  -3.725540      12.08143 
1 1 1 -24 -5  50 o 26.034  8.7016  121.921    64.578   177.435    83.397   38.785     102.058  29.887  9.8845  20.200  9.2484  9.687576       13.53647 
1 1 1 -24 -5  51 o 17.350  7.4615  29.464     56.682   6.4181     69.582   74.923     97.725   16.863  7.6884  21.716  9.5597  -4.852556      12.26783 
1 1 1 -24 -5  52 o 22.898  10.128  100.701    110.983  109.050    217.384  97.758     129.072  23.416  11.456  22.808  10.427  0.6080208      15.49075 
1 1 1 -24 -5  53 o 20.727  9.5145  59.585     108.993  -81.5898   216.219  107.678    126.199  20.206  10.137  22.798  10.379  -2.592020      14.50816 
1 1 1 -24 -5  54 o 20.306  9.4033  59.221     109.819  -191.9549  220.816  141.763    126.584  18.674  9.4669  23.598  10.602  -4.923708      14.21343 
1 1 1 -24 -4  1  f 37.148  6.9336  191.129    60.198   31.655     123.174  241.172    68.999   24.010  10.643  41.734  7.0660  -17.72385      12.77486 
1 1 1 -24 -4  2  o 27.810  7.7237  110.913    53.977   -25.6224   109.455  154.786    62.046   20.664  9.5039  32.802  7.8916  -12.13753      12.35321 
1 1 1 -24 -4  3  o 22.867  5.3644  70.133     29.251   86.064     38.163   47.446     45.542   25.038  6.2899  19.762  7.2508  5.275816       9.598785 
1 1 1 -24 -4  4  o 10.897  4.7407  -1.9383    23.416   0.8070     30.989   -5.5921    35.751   12.760  5.5022  13.052  5.7621  -0.2924919     7.967191 
1 1 1 -24 -4  5  o 29.425  5.9316  116.552    40.888   94.597     60.004   135.584    55.867   25.819  8.3769  30.989  7.5087  -5.170017      11.24961 
1 1 1 -24 -4  6  o 68.706  4.1195  595.834    68.359   634.795    99.092   560.457    94.424   69.512  5.9318  65.204  6.0367  4.307701       8.463348 
1 1 1 -24 -4  7  o 16.532  6.5604  23.851     39.243   -35.7534   59.813   68.900     52.000   14.995  6.9423  22.742  7.8067  -7.746772      10.44702 
1 1 1 -24 -4  8  f 59.093  4.3873  442.923    62.458   477.957    90.992   411.710    85.887   60.025  6.3436  55.564  6.4928  4.460606       9.077367 
1 1 1 -24 -4  9  o 68.146  4.5415  589.722    74.664   540.083    106.974  636.875    104.261  63.233  7.0946  69.481  6.2512  -6.248016      9.455729 
1 1 1 -24 -4  10 o 36.816  6.7782  184.012    58.319   200.917    81.203   166.005    83.808   37.042  9.1002  33.265  9.7520  3.777634       13.33851 
1 1 1 -24 -4  11 o 37.466  8.0461  197.887    70.962   224.299    84.477   134.579    130.789  39.259  9.0532  30.574  12.026  8.685534       15.05276 
1 1 1 -24 -4  12 o 18.415  8.1149  -1.0799    70.592   25.129     88.753   -46.2120   116.466  21.783  9.3514  20.852  9.6656  0.9313889      13.44887 
1 1 1 -24 -4  13 o 26.492  9.6550  95.299     80.559   50.713     103.038  165.410    129.208  24.372  10.253  32.625  12.168  -8.252821      15.91144 
1 1 1 -24 -4  14 o 40.147  6.4141  215.443    60.379   272.040    90.145   169.393    81.313   43.562  8.8308  33.793  9.5135  9.769253       12.98040 
1 1 1 -24 -4  15 o 31.553  7.5556  139.092    57.080   217.290    86.077   77.715     76.259   38.467  9.3202  24.771  9.3264  13.69613       13.18519 
1 1 1 -24 -4  16 o 21.692  7.8399  58.628     52.956   27.784     79.397   83.346     71.074   21.145  8.9530  25.066  9.0790  -3.921371      12.75085 
1 1 1 -24 -4  17 o 37.284  7.3685  191.873    64.297   214.732    96.677   173.742    86.099   37.483  10.308  33.982  9.8621  3.500408       14.26615 
1 1 1 -24 -4  18 o 44.071  6.5297  260.141    67.712   266.898    102.210  254.857    90.395   42.012  10.142  41.803  9.1647  0.2094498      13.66934 
1 1 1 -24 -4  19 o 71.116  8.7779  717.076    148.254  0.0000     0.0000   717.076    148.254  ?       ?       71.116  8.7779  0.000000       8.777933 
1 1 1 -24 -4  20 o 59.445  8.2502  495.347    115.790  235.427    237.748  576.171    132.576  35.994  15.375  63.562  8.8350  -27.56826      17.73241 
1 1 1 -24 -4  21 o 16.806  7.9251  -64.5769   84.071   -41.7046   201.796  -69.3805   92.478   26.234  12.343  17.560  8.2901  8.673977       14.86853 
1 1 1 -24 -4  22 o 79.756  4.7731  812.791    91.945   870.506    131.513  757.608    128.596  80.517  6.7951  74.668  7.1866  5.848732       9.890431 
1 1 1 -24 -4  23 o 25.513  8.5505  91.845     62.356   -16.9965   87.823   202.502    88.552   19.216  8.7132  36.404  9.8054  -17.18861      13.11744 
1 1 1 -24 -4  24 o 23.431  9.5460  58.538     85.455   58.538     85.455   0.0000     0.0000   23.431  9.5460  ?       ?       0.000000       9.546023 
1 1 1 -24 -4  25 o 25.771  10.051  87.850     90.712   87.850     90.712   0.0000     0.0000   25.771  10.051  ?       ?       0.000000       10.05069 
1 1 1 -24 -4  26 o 39.346  10.625  247.514    103.817  247.514    103.817  0.0000     0.0000   39.346  10.625  ?       ?       0.000000       10.62517 
1 1 1 -24 -4  27 f 45.078  7.2356  282.391    76.465   268.735    105.385  297.573    111.117  41.069  10.527  43.159  10.671  -2.090401      14.98933 
1 1 1 -24 -4  28 o 39.539  6.7669  215.294    62.587   177.834    103.962  236.587    78.381   32.843  11.040  40.349  8.2835  -7.506458      13.80232 
1 1 1 -24 -4  29 o 20.178  7.9297  44.763     56.814   113.798    95.113   6.4658     70.841   27.595  10.410  18.559  8.1554  9.035614       13.22422 
1 1 1 -24 -4  30 o 34.128  7.6119  167.147    61.429   216.869    96.214   132.931    79.815   36.663  10.358  29.286  9.6691  7.377556       14.16974 
1 1 1 -24 -4  31 o 21.959  8.7518  55.673     70.115   -19.4098   107.867  110.609    92.267   20.532  9.4400  27.171  10.252  -6.638971      13.93649 
1 1 1 -24 -4  32 o 34.841  9.5308  190.404    82.901   170.792    118.593  209.146    115.931  31.492  11.675  34.511  11.658  -3.019627      16.49887 
1 1 1 -24 -4  33 o 39.746  9.6591  248.413    92.238   329.344    126.258  155.778    135.078  43.511  11.704  30.192  12.108  13.31880       16.83995 
1 1 1 -24 -4  34 o 13.300  6.3894  -68.0660   60.039   -145.0918  201.826  -60.5880   62.886   22.656  11.075  13.999  6.6746  8.657080       12.93048 
1 1 1 -24 -4  35 f 31.753  9.7631  164.254    82.528   139.658    220.664  168.254    88.986   29.582  13.564  31.774  10.190  -2.192528      16.96541 
1 1 1 -24 -4  36 o 21.208  8.4070  55.216     64.379   71.816     100.775  43.769     83.682   24.051  10.130  21.490  9.1490  2.560957       13.64970 
1 1 1 -24 -4  37 o 15.562  7.3736  -53.2103   74.398   0.0000     0.0000   -53.2103   74.398   ?       ?       15.562  7.3736  0.000000       7.373621 
1 1 1 -24 -4  38 o 36.078  11.200  241.443    108.311  0.0000     0.0000   241.443    108.311  ?       ?       36.078  11.200  0.000000       11.19995 
1 1 1 -24 -4  39 o 15.467  7.4137  -66.6197   79.820   -106.3929  226.261  -60.9663   85.304   22.965  11.325  16.220  7.7445  6.745398       13.71972 
1 1 1 -24 -4  40 o 15.653  7.0363  -2.9624    55.844   89.332     84.417   -74.7815   74.467   23.874  9.5729  14.515  7.0078  9.359774       11.86375 
1 1 1 -24 -4  41 o 17.186  7.2808  24.509     52.555   3.5665     70.899   50.051     78.297   17.438  7.8749  20.733  8.8387  -3.295584      11.83795 
1 1 1 -24 -4  42 o 12.964  6.1111  -34.1816   49.913   76.700     67.031   -172.1704  74.777   22.214  8.6463  11.839  5.9426  10.37488       10.49156 
1 1 1 -24 -4  43 o 13.321  6.2491  -29.0882   51.080   -40.1296   66.737   -13.4701   79.372   14.699  6.9701  17.047  7.9284  -2.347878      10.55664 
1 1 1 -24 -4  44 o 23.781  8.3063  95.494     58.990   67.617     81.032   126.926    86.043   21.366  9.0456  25.665  9.8483  -4.299456      13.37204 
1 1 1 -24 -4  45 o 15.785  7.0707  6.4034     55.856   -34.1706   70.056   77.200     92.540   15.113  7.1591  21.990  9.4951  -6.876486      11.89163 
1 1 1 -24 -4  46 o 19.151  7.8492  50.410     58.208   52.492     72.261   46.564     98.230   19.833  8.4740  20.423  9.2420  -0.5899925     12.53889 
1 1 1 -24 -4  47 o 19.766  8.3481  53.870     68.756   107.540    77.424   -146.3405  149.540  23.948  9.3005  17.615  8.7752  6.332750       12.78682 
1 1 1 -24 -4  48 o 21.686  8.9490  78.338     76.308   70.176     85.566   110.051    168.669  21.269  9.1573  23.649  11.174  -2.380114      14.44734 
1 1 1 -24 -4  49 o 15.891  7.0355  12.014     53.670   99.223     64.696   -180.4551  96.112   23.664  8.6481  13.542  6.7890  10.12277       10.99460 
1 1 1 -24 -4  50 o 17.401  7.4585  29.945     56.302   68.178     67.005   -61.8845   103.844  20.845  8.4683  16.836  8.1648  4.009600       11.76336 
1 1 1 -24 -4  51 o 19.107  8.9661  9.8074     105.307  -131.1224  206.811  59.137     122.356  19.883  9.9671  21.464  9.9345  -1.580902      14.07257 
1 1 1 -24 -4  52 o 61.417  9.6502  689.893    139.068  2581.39    273.111  27.783     161.585  118.980 9.5405  21.126  10.231  97.85359       13.98874 
1 1 1 -24 -4  53 o 21.147  9.6517  72.623     110.020  -89.6318   220.973  126.103    126.863  20.055  10.086  23.362  10.544  -3.307335      14.59066 
1 1 1 -24 -3  1  o 68.787  5.7868  623.309    95.688   709.662    170.404  583.539    115.641  67.486  10.768  64.883  7.4825  2.602928       13.11279 
1 1 1 -24 -3  2  o 26.952  5.5981  97.479     35.413   140.210    52.965   62.931     47.623   31.690  7.0680  21.744  7.4706  9.946014       10.28428 
1 1 1 -24 -3  3  o 42.725  4.0934  231.784    41.916   219.362    58.141   245.228    60.487   40.496  6.1068  42.938  5.9670  -2.442051      8.538039 
1 1 1 -24 -3  4  o 58.482  3.9581  431.198    55.835   430.682    76.596   431.783    81.564   57.412  5.5684  57.191  5.9655  0.2209816      8.160525 
1 1 1 -24 -3  5  o 53.936  4.5490  371.111    58.977   421.676    87.383   328.806    79.927   56.120  6.5398  49.254  6.8753  6.866020       9.488933 
1 1 1 -24 -3  6  o 13.319  5.9188  -8.3862    38.331   -40.0630   68.000   6.3669     46.407   15.899  7.3754  15.817  6.7753  0.8205223E-01  10.01502 
1 1 1 -24 -3  7  o 45.692  5.2169  270.540    56.801   299.251    88.447   250.388    74.101   46.083  8.2110  42.603  7.4391  3.480309       11.07975 
1 1 1 -24 -3  8  o 74.328  4.2764  697.536    76.801   730.322    112.778  669.182    104.878  74.396  6.3070  71.367  6.1156  3.028542       8.785094 
1 1 1 -24 -3  9  o 17.232  7.1278  18.796     48.576   60.959     89.786   1.3482     57.758   24.160  9.8071  17.012  7.4224  7.147440       12.29923 
1 1 1 -24 -3  10 o 46.614  5.6763  283.870    62.876   302.226    89.759   266.184    88.104   46.383  8.2792  43.151  8.7148  3.231743       12.02052 
1 1 1 -24 -3  11 o 17.565  7.8758  -13.4857   69.489   28.919     86.768   -89.3209   116.035  21.870  9.3136  19.354  9.1814  2.516079       13.07827 
1 1 1 -24 -3  12 o 50.134  7.2246  340.876    85.348   263.269    105.190  490.404    146.010  41.604  10.438  56.713  11.007  -15.10901      15.16931 
1 1 1 -24 -3  13 o 21.002  7.7610  52.486     52.325   72.556     82.375   38.912     67.748   24.677  9.5905  20.966  8.5159  3.710989       12.82567 
1 1 1 -24 -3  14 o 30.256  7.2855  126.872    52.845   186.756    76.774   72.954     72.849   35.926  8.8622  24.217  9.1160  11.70897       12.71375 
1 1 1 -24 -3  15 o 45.159  5.6505  266.233    60.560   271.471    86.998   261.309    84.353   43.790  8.4944  43.022  8.3820  0.7676392      11.93373 
1 1 1 -24 -3  16 o 24.974  8.5777  84.779     62.783   79.860     92.079   89.052     85.827   25.696  10.096  26.144  9.8825  -0.4486980     14.12769 
1 1 1 -24 -3  17 o 44.998  6.1305  267.818    65.194   310.889    93.618   227.264    90.841   46.842  8.5520  39.120  9.6339  7.722397       12.88209 
1 1 1 -24 -3  18 f 11.903  5.8231  -96.0478   56.139   -146.1090  75.994   -35.9121   83.290   13.225  6.5296  17.999  8.2828  -4.773909      10.54703 
1 1 1 -24 -3  19 o 66.727  7.6732  610.724    121.973  743.813    243.692  566.237    140.891  62.421  16.012  62.277  9.6349  0.1442337      18.68712 
1 1 1 -24 -3  20 o 48.452  9.4995  345.085    107.687  540.796    228.318  289.091    122.124  51.423  16.305  42.337  11.562  9.085789       19.98816 
1 1 1 -24 -3  21 o 20.020  8.7366  10.747     80.061   0.0000     0.0000   10.747     80.061   ?       ?       20.020  8.7366  0.000000       8.736572 
1 1 1 -24 -3  22 o 59.955  5.2715  465.552    75.908   426.550    107.007  505.057    107.696  54.963  8.2808  60.617  7.4810  -5.654026      11.15963 
1 1 1 -24 -3  23 o 58.453  7.7765  475.428    107.559  475.428    107.559  0.0000     0.0000   58.453  7.7765  ?       ?       0.000000       7.776522 
1 1 1 -24 -3  24 o 46.116  9.1545  313.461    98.823   313.461    98.823   0.0000     0.0000   46.116  9.1545  ?       ?       0.000000       9.154519 
1 1 1 -24 -3  25 o 33.399  10.093  174.242    88.719   174.242    88.719   0.0000     0.0000   33.399  10.093  ?       ?       0.000000       10.09349 
1 1 1 -24 -3  26 o 79.110  4.8489  804.755    92.627   771.843    128.387  840.484    133.768  75.074  7.1338  78.387  7.1105  -3.312843      10.07222 
1 1 1 -24 -3  27 o 89.449  4.5025  1021.34    97.410   1160.17    143.644  903.151    132.542  93.049  6.4012  81.629  6.7525  11.41982       9.304361 
1 1 1 -24 -3  28 o 54.774  5.3056  392.517    69.630   371.939    105.339  408.486    92.793   50.152  8.9865  54.288  7.2237  -4.136734      11.52994 
1 1 1 -24 -3  29 f 54.103  5.3258  383.677    69.008   445.715    103.665  334.309    92.476   56.084  7.8314  48.151  8.2095  7.932899       11.34581 
1 1 1 -24 -3  30 o 13.689  6.3363  -29.4611   49.784   -42.1681   79.074   -21.1169   64.077   16.906  7.8797  16.155  7.3703  0.7513561      10.78938 
1 1 1 -24 -3  31 o 32.382  9.1568  161.438    75.157   159.199    100.220  164.316    113.610  31.095  10.829  31.221  11.453  -0.1266727     15.76129 
1 1 1 -24 -3  32 o 19.978  8.2483  36.433     64.875   63.783     85.150   -1.4118    100.162  23.326  9.5191  20.624  9.3327  2.701780       13.33091 
1 1 1 -24 -3  33 o 22.643  8.9053  64.574     71.710   -13.1891   102.916  137.953    99.973   20.244  9.2753  29.097  10.733  -8.853592      14.18520 
1 1 1 -24 -3  34 o 46.967  8.3408  326.143    91.571   65.460     251.656  365.926    98.310   28.450  13.504  49.673  8.4598  -21.22297      15.93477 
1 1 1 -24 -3  35 o 25.128  8.8267  94.888     66.659   175.543    105.368  41.070     86.072   31.590  11.097  21.565  9.2321  10.02455       14.43553 
1 1 1 -24 -3  36 o 29.777  10.199  149.717    88.738   0.0000     0.0000   149.717    88.738   ?       ?       29.777  10.199  0.000000       10.19900 
1 1 1 -24 -3  37 o 44.061  11.802  358.534    128.712  0.0000     0.0000   358.534    128.712  ?       ?       44.061  11.802  0.000000       11.80220 
1 1 1 -24 -3  38 o 31.432  10.742  180.639    98.439   347.605    234.851  145.053    108.423  34.084  14.916  28.269  10.998  5.814785       18.53255 
1 1 1 -24 -3  39 o 17.925  8.3032  -17.3253   85.721   -74.8080   165.604  3.7137     100.188  21.153  10.271  19.903  9.1311  1.250553       13.74266 
1 1 1 -24 -3  40 o 22.870  8.2996  80.778     59.437   153.946    80.577   -6.5543    88.031   29.500  9.7140  18.431  8.4939  11.06897       12.90380 
1 1 1 -24 -3  41 o 19.837  7.9526  51.461     58.249   104.611    78.675   -13.0186   86.655   24.760  9.4370  17.890  8.3083  6.869680       12.57321 
1 1 1 -24 -3  42 o 39.437  7.0359  233.070    64.858   191.645    86.497   286.276    98.027   32.014  10.020  39.642  10.148  -7.628502      14.26147 
1 1 1 -24 -3  43 o 55.431  5.5954  429.988    74.227   431.944    102.980  427.874    107.086  51.397  8.5586  50.316  9.1065  1.080425       12.49706 
1 1 1 -24 -3  44 o 32.472  8.2086  175.490    64.709   126.396    83.235   250.494    102.881  25.653  9.7237  34.617  10.942  -8.964298      14.63788 
1 1 1 -24 -3  45 o 14.261  6.6792  -24.3981   57.952   -13.7771   72.867   -42.6788   95.598   16.235  7.5661  16.904  8.1052  -0.6683102     11.08786 
1 1 1 -24 -3  46 o 16.831  7.3623  21.252     57.157   42.913     70.217   -21.2898   98.402   19.104  8.2599  17.730  8.4237  1.373693       11.79768 
1 1 1 -24 -3  47 o 12.103  5.9466  -86.1383   60.515   -67.3081   67.357   -164.9626  137.811  13.520  6.5612  16.706  8.3383  -3.185432      10.61020 
1 1 1 -24 -3  48 o 24.770  9.2180  115.256    74.072   70.317     82.935   292.445    164.680  21.259  9.0807  30.307  12.867  -9.047901      15.74827 
1 1 1 -24 -3  49 o 19.040  7.8521  48.674     58.702   42.322     72.141   61.122     100.987  19.179  8.3325  21.214  9.5044  -2.034361      12.63974 
1 1 1 -24 -3  50 o 13.598  6.3932  -27.5454   53.968   10.790     63.833   -123.6276  101.056  16.688  7.5101  15.095  7.4665  1.593466       10.59015 
1 1 1 -24 -3  51 o ?       ?       -388.6564  84.711   -457.0176  165.638  -364.4435  98.578   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 -3  52 o 35.900  11.997  322.523    122.755  641.368    243.229  213.554    142.193  35.051  15.264  27.087  11.733  7.963470       19.25221 
1 1 1 -24 -3  53 o 26.569  10.987  187.922    115.385  252.469    234.225  167.238    132.590  24.691  12.039  24.716  10.995  -0.2487564E-01 16.30377 
1 1 1 -24 -2  1  o 33.091  5.0744  143.470    39.443   131.798    58.596   153.142    53.337   30.258  7.8970  33.284  6.8332  -3.025684      10.44296 
1 1 1 -24 -2  2  o 26.186  5.4807  91.703     33.705   69.096     44.532   122.022    51.572   22.490  7.2082  29.453  7.2623  -6.963495      10.23226 
1 1 1 -24 -2  3  o 18.007  6.1262  40.857     32.014   50.690     40.230   23.876     52.865   19.891  6.8644  18.086  7.4542  1.804979       10.13338 
1 1 1 -24 -2  4  o 64.303  4.6732  527.958    72.414   464.974    96.544   608.972    109.493  58.634  6.9192  67.285  6.8000  -8.650532      9.701287 
1 1 1 -24 -2  5  o 32.342  6.3445  141.512    48.010   119.053    75.060   157.062    62.457   28.531  9.3746  33.284  7.8593  -4.753311      12.23327 
1 1 1 -24 -2  6  o 44.606  5.1652  257.653    54.870   250.952    84.523   262.533    72.137   41.822  8.6159  43.936  7.0016  -2.113667      11.10212 
1 1 1 -24 -2  7  o 29.997  6.6547  122.932    47.170   97.260     70.991   143.224    63.117   26.385  9.1179  31.675  8.1616  -5.289703      12.23717 
1 1 1 -24 -2  8  o 19.824  6.9767  48.810     41.657   22.392     63.813   68.429     54.991   19.260  8.0836  22.883  8.0182  -3.622734      11.38579 
1 1 1 -24 -2  9  o 27.326  7.0230  103.052    46.818   83.345     68.414   120.410    64.207   24.987  8.9250  28.992  8.5461  -4.004816      12.35684 
1 1 1 -24 -2  10 o 39.800  8.3119  223.971    77.679   213.894    93.090   247.076    140.955  37.711  10.008  38.307  12.855  -0.5960960     16.29156 
1 1 1 -24 -2  11 o 33.660  9.0543  165.162    75.564   146.129    90.165   210.075    138.505  31.285  10.274  35.754  12.707  -4.469713      16.34083 
1 1 1 -24 -2  12 o 25.045  9.0878  82.430     71.259   91.976     85.968   61.470     127.385  26.441  9.9127  26.450  11.275  -0.9117126E-02 15.01285 
1 1 1 -24 -2  13 o 31.152  7.6131  135.528    57.058   124.209    77.214   149.144    84.688   29.278  9.5027  31.682  9.9147  -2.403484      13.73333 
1 1 1 -24 -2  14 o 32.931  7.1198  148.956    55.233   151.108    79.557   146.955    76.741   32.008  9.5323  31.656  9.3464  0.3522949      13.34990 
1 1 1 -24 -2  15 o 27.063  7.9092  102.688    55.203   144.333    73.856   49.969     83.096   31.453  9.1358  23.017  9.3995  8.435810       13.10776 
1 1 1 -24 -2  16 o 37.321  7.4742  192.449    65.324   137.617    90.578   251.877    94.298   30.466  10.305  41.330  9.5886  -10.86418      14.07588 
1 1 1 -24 -2  17 o 22.198  8.3700  58.489     61.469   93.520     88.341   25.611     85.584   26.584  10.032  21.551  9.2154  5.033257       13.62199 
1 1 1 -24 -2  18 o 18.102  8.3859  -44.1402   87.480   -32.9469   212.645  -46.4205   95.978   27.239  12.769  18.902  8.7664  8.337185       15.48884 
1 1 1 -24 -2  19 o 32.113  10.575  157.913    95.495   301.359    211.397  121.137    107.038  39.306  15.339  29.121  11.029  10.18483       18.89290 
1 1 1 -24 -2  20 f 29.828  10.508  132.728    94.520   159.826    201.290  125.063    107.058  32.837  14.090  29.337  11.050  3.499657       17.90549 
1 1 1 -24 -2  21 f 23.684  8.3212  75.089     59.245   131.695    87.010   26.163     80.893   29.679  10.100  21.047  8.9786  8.631687       13.51355 
1 1 1 -24 -2  22 o 55.716  8.0548  435.176    105.731  435.176    105.731  0.0000     0.0000   55.716  8.0548  ?       ?       0.000000       8.054798 
1 1 1 -24 -2  23 o 32.460  10.109  162.798    88.165   162.798    88.165   0.0000     0.0000   32.460  10.109  ?       ?       0.000000       10.10940 
1 1 1 -24 -2  24 o 25.232  9.9596  80.314     89.998   80.314     89.998   0.0000     0.0000   25.232  9.9596  ?       ?       0.000000       9.959646 
1 1 1 -24 -2  25 o 28.576  8.8668  120.839    67.894   103.532    87.483   147.050    107.660  26.910  10.017  30.540  11.157  -3.630293      14.99384 
1 1 1 -24 -2  26 o 35.423  7.1825  175.516    59.621   238.848    94.266   133.292    76.971   39.279  9.8955  29.619  9.4749  9.659863       13.70016 
1 1 1 -24 -2  27 o 68.038  4.8135  596.215    78.952   751.061    116.819  466.016    107.119  74.663  6.5135  57.417  7.8979  17.24573       10.23732 
1 1 1 -24 -2  28 o 27.923  7.6684  112.419    53.544   97.668     81.073   123.830    71.308   26.090  9.6567  28.648  9.1151  -2.558245      13.27913 
1 1 1 -24 -2  29 o 23.147  8.0933  73.913     56.012   125.830    86.503   36.430     73.501   28.559  10.053  20.785  8.6966  7.773489       13.29282 
1 1 1 -24 -2  30 o 38.031  8.6160  215.037    77.665   138.971    102.989  315.332    118.258  29.490  10.890  43.638  11.133  -14.14792      15.57344 
1 1 1 -24 -2  31 o 61.032  6.7369  510.562    98.103   596.383    124.698  371.165    158.923  64.354  8.1699  43.827  13.560  20.52714       15.83122 
1 1 1 -24 -2  32 o 31.920  9.5968  161.164    80.354   201.439    103.757  100.810    127.012  34.432  10.999  27.091  11.389  7.341185       15.83336 
1 1 1 -24 -2  33 o 35.193  9.2844  193.632    80.429   713.541    228.658  120.226    85.919   57.090  15.912  27.684  9.9891  29.40549       18.78741 
1 1 1 -24 -2  34 o 59.600  6.9667  496.420    98.847   607.693    264.109  478.295    106.593  45.922  17.341  57.532  7.8400  -11.61040      19.03130 
1 1 1 -24 -2  35 o 12.084  6.0357  -164.1457  72.762   0.0000     0.0000   -164.1457  72.762   ?       ?       12.084  6.0357  0.000000       6.035731 
1 1 1 -24 -2  36 o 22.679  9.4219  62.019     85.409   0.0000     0.0000   62.019     85.409   ?       ?       22.679  9.4219  0.000000       9.421929 
1 1 1 -24 -2  37 o 39.140  11.033  275.328    109.292  631.594    243.031  185.014    122.364  46.337  16.788  30.880  11.769  15.45705       20.50230 
1 1 1 -24 -2  38 o 20.326  8.9223  30.640     84.597   45.338     182.874  26.638     95.421   24.868  11.715  20.780  9.2793  4.088037       14.94490 
1 1 1 -24 -2  39 o 49.228  5.9424  336.718    69.543   338.281    93.812   334.810    103.616  46.279  8.6730  44.477  9.8601  1.801880       13.13173 
1 1 1 -24 -2  40 o 30.924  8.0920  151.985    61.420   118.220    85.838   187.409    87.923   25.937  9.8641  32.035  10.114  -6.098303      14.12761 
1 1 1 -24 -2  41 o 23.809  8.1795  91.305     57.090   113.898    77.087   63.861     84.960   25.504  9.4209  21.740  9.2360  3.763805       13.19311 
1 1 1 -24 -2  42 o 36.004  7.7859  204.287    66.037   135.103    89.914   285.313    97.305   26.571  10.098  39.497  10.110  -12.92581      14.28949 
1 1 1 -24 -2  43 o 23.007  8.1740  87.409     57.313   109.375    76.481   59.274     86.555   24.604  9.3221  21.065  9.1393  3.538914       13.05477 
1 1 1 -24 -2  44 o 30.075  8.4071  154.671    63.733   149.991    81.714   161.940    101.838  27.727  9.7699  27.388  10.658  0.3387051      14.45847 
1 1 1 -24 -2  45 o 20.702  8.0983  67.261     59.030   99.943     74.637   12.671     96.461   23.492  9.1292  18.923  8.7803  4.568871       12.66632 
1 1 1 -24 -2  46 o 23.652  9.3076  103.733    78.376   95.736     90.241   128.286    158.121  22.939  9.6194  24.246  11.247  -1.306831      14.79967 
1 1 1 -24 -2  47 o 31.201  9.8847  191.757    83.928   240.294    96.754   44.228     168.683  34.043  10.588  22.044  10.619  11.99966       14.99612 
1 1 1 -24 -2  48 o 12.449  6.0091  -55.5144   54.668   54.008     70.828   -216.9178  85.982   19.890  8.4408  11.991  6.0612  7.898810       10.39161 
1 1 1 -24 -2  49 o 15.254  6.9132  -0.3712    55.204   53.041     66.865   -114.7279  97.838   19.698  8.2714  15.067  7.4331  4.631464       11.12058 
1 1 1 -24 -2  50 f 22.204  9.9452  80.849     110.485  -312.0133  217.374  217.693    128.292  18.320  9.2983  28.887  11.724  -10.56680      14.96365 
1 1 1 -24 -2  51 o 23.179  10.348  107.267    118.603  74.657     223.213  120.096    140.001  22.859  11.268  23.626  10.822  -0.7668209     15.62340 
1 1 1 -24 -2  52 f 18.279  8.6732  -0.7210    103.667  135.511    209.853  -44.6986   119.232  23.306  11.371  17.757  8.6430  5.548595       14.28253 
1 1 1 -24 -1  1  f 41.567  4.2710  220.422    42.464   237.035    58.533   201.964    61.699   42.249  5.8683  38.344  6.8847  3.905190       9.046327 
1 1 1 -24 -1  2  o 42.619  4.4822  232.500    45.657   145.628    61.284   340.860    68.445   31.879  7.9499  50.974  5.6278  -19.09463      9.740271 
1 1 1 -24 -1  3  o 83.356  4.5384  883.433    91.446   938.862    117.303  797.557    146.008  84.799  5.7348  75.570  8.0884  9.228996       9.915108 
1 1 1 -24 -1  4  o 76.291  4.5779  740.242    84.352   714.326    109.622  777.860    132.072  73.551  6.2003  75.633  7.2869  -2.082161      9.567801 
1 1 1 -24 -1  5  o 77.864  4.1520  764.169    78.160   736.315    111.644  790.945    109.458  74.728  6.2136  77.823  5.8392  -3.094574      8.526707 
1 1 1 -24 -1  6  o 77.262  4.1879  752.374    78.216   856.891    114.798  661.815    106.857  81.032  5.8787  70.816  6.2841  10.21529       8.605134 
1 1 1 -24 -1  7  o 62.946  4.4389  502.054    67.363   568.796    99.656   445.902    91.408   65.620  6.3378  57.823  6.6352  7.797295       9.175707 
1 1 1 -24 -1  8  o 62.831  4.4431  499.998    67.301   435.803    97.933   557.445    92.643   56.688  7.2888  65.334  5.9079  -8.646439      9.382402 
1 1 1 -24 -1  9  o 65.165  6.4707  561.709    100.959  564.168    126.034  557.305    168.659  63.623  8.3670  59.254  12.139  4.369392       14.74317 
1 1 1 -24 -1  10 f 21.371  8.6171  42.647     68.819   45.866     81.644   34.746     127.904  22.625  9.2872  25.166  11.011  -2.540932      14.40456 
1 1 1 -24 -1  11 f 27.634  9.2806  108.019    73.462   83.998     88.882   159.802    130.500  25.925  9.9936  32.382  12.199  -6.456490      15.76969 
1 1 1 -24 -1  12 o 25.910  8.0835  93.295     56.342   103.005    74.972   80.694     85.402   27.158  9.3709  25.513  9.8064  1.644964       13.56390 
1 1 1 -24 -1  13 o 18.274  7.4666  24.723     52.472   -19.7027   69.152   85.018     80.560   17.202  7.7721  25.662  9.6007  -8.460033      12.35232 
1 1 1 -24 -1  14 o 17.954  7.4135  21.253     52.417   40.552     71.006   -1.8583    77.705   21.393  8.7072  19.197  8.4839  2.196617       12.15696 
1 1 1 -24 -1  15 o 29.637  8.1982  124.716    60.942   126.377    85.886   123.032    86.486   29.466  10.034  29.160  10.065  0.3060646      14.21194 
1 1 1 -24 -1  16 f 64.655  5.1604  536.654    80.281   453.339    114.451  617.351    112.639  56.780  8.5745  67.928  6.9311  -11.14837      11.02551 
1 1 1 -24 -1  17 o 57.581  10.333  494.445    139.063  0.0000     0.0000   494.445    139.063  ?       ?       57.581  10.333  0.000000       10.33312 
1 1 1 -24 -1  18 o 67.981  8.1542  641.654    131.820  817.890    262.576  582.270    152.419  64.785  16.622  62.370  10.441  2.415348       19.62889 
1 1 1 -24 -1  19 o 77.183  7.5900  813.873    140.304  1109.39    280.961  715.698    161.942  78.414  15.316  69.849  9.8269  8.565643       18.19760 
1 1 1 -24 -1  20 o 83.539  4.7042  888.725    94.965   974.166    136.734  809.106    131.993  85.515  6.6419  77.406  7.1071  8.108917       9.727554 
1 1 1 -24 -1  21 o 72.698  7.1214  715.981    124.004  715.981    124.004  0.0000     0.0000   72.698  7.1214  ?       ?       0.000000       7.121369 
1 1 1 -24 -1  22 o 90.033  6.7590  1087.15    146.579  1087.15    146.579  0.0000     0.0000   90.033  6.7590  ?       ?       0.000000       6.759047 
1 1 1 -24 -1  23 o 33.120  10.287  171.140    91.358   171.140    91.358   0.0000     0.0000   33.120  10.287  ?       ?       0.000000       10.28687 
1 1 1 -24 -1  24 o 52.895  5.9486  370.748    75.023   343.090    105.605  398.930    106.600  48.027  9.3988  52.590  8.6551  -4.563225      12.77683 
1 1 1 -24 -1  25 o 19.229  7.8996  30.641     59.134   99.012     91.201   -18.9519   77.674   26.605  10.156  17.972  8.1667  8.632618       13.03204 
1 1 1 -24 -1  26 o 13.600  6.2365  -23.3957   46.655   -63.7527   73.818   3.4479     60.204   15.467  7.3331  17.258  7.5525  -1.791404      10.52684 
1 1 1 -24 -1  27 o 16.740  7.1865  9.6887     52.416   70.319     83.313   -30.0341   67.435   23.973  9.5445  16.158  7.4419  7.815092       12.10291 
1 1 1 -24 -1  28 o 43.404  6.2933  254.989    64.346   247.977    99.274   260.070    84.499   39.510  10.263  42.084  8.5663  -2.573982      13.36826 
1 1 1 -24 -1  29 o 41.446  6.6774  236.098    64.870   189.873    100.230  269.418    85.096   33.919  10.808  42.873  8.4805  -8.953888      13.73806 
1 1 1 -24 -1  30 o 50.867  7.3734  362.912    88.353   401.737    112.949  301.701    141.822  51.542  9.3770  40.299  12.858  11.24208       15.91408 
1 1 1 -24 -1  31 o 20.105  8.4721  31.658     70.554   112.270    89.431   -101.2061  114.814  27.206  10.128  18.294  8.8004  8.911781       13.41717 
1 1 1 -24 -1  32 o 35.926  7.7196  187.135    65.287   199.646    106.583  179.622    82.596   34.050  11.170  33.640  9.6297  0.4103966      14.74801 
1 1 1 -24 -1  33 o 66.306  6.7075  606.304    106.428  1230.51    259.566  480.154    116.688  81.583  13.591  56.688  8.7663  24.89545       16.17255 
1 1 1 -24 -1  34 o 19.242  8.4575  14.385     76.231   0.0000     0.0000   14.385     76.231   ?       ?       19.242  8.4575  0.000000       8.457528 
1 1 1 -24 -1  35 o 17.036  7.9437  -35.4819   80.501   0.0000     0.0000   -35.4819   80.501   ?       ?       17.036  7.9437  0.000000       7.943657 
1 1 1 -24 -1  36 o 16.948  8.0961  -68.7663   93.464   0.0000     0.0000   -68.7663   93.464   ?       ?       16.948  8.0961  0.000000       8.096077 
1 1 1 -24 -1  37 o 19.108  8.7923  -9.2370    93.824   367.057    242.568  -75.4396   101.744  34.622  15.155  17.350  8.3306  17.27198       17.29409 
1 1 1 -24 -1  38 o 20.648  9.1231  32.124     89.799   -2.0988    185.825  42.550     102.571  23.619  11.318  21.858  9.6993  1.760601       14.90576 
1 1 1 -24 -1  39 o 41.961  6.6576  253.854    65.521   255.424    87.935   251.895    98.241   39.051  9.3948  37.290  10.443  1.760864       14.04670 
1 1 1 -24 -1  40 f 51.755  5.8840  374.523    72.577   413.431    102.202  334.944    103.081  50.942  8.5728  43.926  9.9075  7.015751       13.10163 
1 1 1 -24 -1  41 o 19.896  8.0382  52.609     60.012   83.204     81.881   17.102     88.211   22.883  9.3361  19.224  8.7229  3.659662       12.77700 
1 1 1 -24 -1  42 o 18.871  7.7116  44.698     55.978   -11.4855   76.272   110.295    82.415   16.860  7.8176  24.686  9.5932  -7.826046      12.37515 
1 1 1 -24 -1  43 o 43.211  7.0628  283.986    71.493   382.736    91.858   132.266    113.861  48.894  8.0211  25.274  10.713  23.61923       13.38274 
1 1 1 -24 -1  44 o 23.941  8.5552  100.068    62.869   154.557    78.734   4.2017     104.434  28.331  9.6074  19.068  8.9417  9.263803       13.12465 
1 1 1 -24 -1  45 o 24.807  8.7072  110.326    64.861   75.109     81.892   169.603    106.245  21.592  9.1146  27.399  10.819  -5.807798      14.14693 
1 1 1 -24 -1  46 o 13.296  6.4461  -64.9898   64.585   -83.4336   71.934   11.681     146.666  13.500  6.6018  20.758  9.9761  -7.257689      11.96268 
1 1 1 -24 -1  47 o 23.905  9.3949  107.192    79.755   121.700    91.472   61.191     162.881  24.680  9.9405  22.390  10.694  2.290438       14.60022 
1 1 1 -24 -1  48 o 17.143  7.5446  21.340     60.834   -34.6088   78.127   107.499    96.953   15.797  7.5055  23.707  9.9576  -7.910302      12.46944 
1 1 1 -24 -1  49 o 19.324  7.9143  52.005     59.127   37.992     72.609   79.587     101.872  18.916  8.2856  22.115  9.7467  -3.198912      12.79258 
1 1 1 -24 -1  50 o 17.689  8.4641  -28.1881   103.041  -135.3029  205.007  8.0195     119.191  19.756  9.9059  19.614  9.3048  0.1415462      13.59066 
1 1 1 -24 -1  51 o 19.445  9.1951  15.762     114.622  -248.6947  219.015  115.520    134.515  18.649  9.4514  23.286  10.645  -4.636612      14.23540 
1 1 1 -24 -1  52 o 25.968  10.861  175.061    114.565  142.235    233.768  185.437    131.430  23.040  11.389  25.673  11.199  -2.633526      15.97284 
1 1 1 -24 0   1  o 30.525  5.4690  123.645    39.019   102.738    51.596   151.576    59.636   26.920  7.5781  32.688  7.6538  -5.767883      10.77076 
1 1 1 -24 0   2  o 52.877  4.9987  360.655    63.374   401.830    83.899   305.950    96.708   54.816  6.4301  45.768  9.0291  9.048256       11.08469 
1 1 1 -24 0   3  o 35.176  5.6697  163.727    46.748   165.007    67.835   162.569    64.513   33.830  8.3213  33.767  7.9972  0.6341934E-01  11.54123 
1 1 1 -24 0   4  o 23.641  7.1958  76.814     44.974   14.180     63.983   137.981    63.229   18.613  7.9637  30.978  8.2606  -12.36516      11.47427 
1 1 1 -24 0   5  o 95.179  4.1730  1138.88    96.374   1217.76    137.722  1063.20    134.908  96.603  5.9039  89.898  6.2231  6.705566       8.578020 
1 1 1 -24 0   6  f 121.921 4.3230  1872.20    127.886  1952.85    182.301  1794.05    179.451  122.091 6.1738  116.750 6.3586  5.340424       8.862756 
1 1 1 -24 0   7  o 67.817  4.4247  582.041    72.410   586.270    107.170  578.489    98.222   66.294  6.7569  66.340  6.1727  -0.4634857E-01 9.151943 
1 1 1 -24 0   8  o 71.984  5.5772  670.547    96.653   623.449    113.387  795.728    184.856  68.251  6.9436  72.759  10.799  -4.508484      12.83825 
1 1 1 -24 0   9  o 27.589  9.3246  107.683    74.164   10.492     88.437   338.027    136.148  20.952  9.1618  45.767  12.082  -24.81477      15.16319 
1 1 1 -24 0   10 o 42.414  8.4687  254.372    84.104   261.639    102.723  239.594    146.483  41.698  10.230  37.699  13.093  3.999596       16.61592 
1 1 1 -24 0   11 o 56.180  4.9866  403.967    67.268   427.698    96.707   381.721    93.631   56.263  7.2527  52.939  7.4990  3.324631       10.43247 
1 1 1 -24 0   12 o 39.517  6.7335  210.193    62.248   185.672    84.082   239.934    92.598   35.447  9.5578  40.379  9.5931  -4.932190      13.54180 
1 1 1 -24 0   13 o 65.983  4.8407  554.671    76.961   593.493    105.341  510.228    112.710  66.963  6.5679  61.053  7.7857  5.910046       10.18597 
1 1 1 -24 0   14 o 40.807  6.6807  223.672    63.859   201.616    88.841   247.249    91.853   36.789  9.7830  41.122  9.4094  -4.333012      13.57365 
1 1 1 -24 0   15 o 16.599  7.2637  -1.1054    55.683   65.795     76.903   -74.8369   80.733   23.830  9.2650  16.117  7.6496  7.712168       12.01484 
1 1 1 -24 0   16 o 70.703  9.5579  722.004    159.767  0.0000     0.0000   722.004    159.767  ?       ?       70.703  9.5579  0.000000       9.557926 
1 1 1 -24 0   17 o 71.619  7.8519  704.599    134.212  629.776    264.172  730.630    155.820  53.983  17.580  71.459  9.2005  -17.47544      19.84180 
1 1 1 -24 0   18 o 131.802 7.1046  2330.20    226.369  2337.24    386.680  2326.53    279.215  117.759 13.794  127.982 9.0497  -10.22321      16.49790 
1 1 1 -24 0   19 o 99.525  5.8122  1289.99    139.747  1337.69    303.763  1277.19    157.392  86.788  14.965  97.994  6.6589  -11.20627      16.37994 
1 1 1 -24 0   20 o 28.179  9.6275  115.527    79.069   126.318    92.600   86.482     151.918  29.226  10.389  28.388  12.212  0.8381042      16.03349 
1 1 1 -24 0   21 o 34.275  10.396  182.870    93.995   182.870    93.995   0.0000     0.0000   34.275  10.396  ?       ?       0.000000       10.39632 
1 1 1 -24 0   22 o 52.938  8.5562  400.722    106.155  400.722    106.155  0.0000     0.0000   52.938  8.5562  ?       ?       0.000000       8.556219 
1 1 1 -24 0   23 o 38.439  7.5410  207.290    67.822   238.240    94.937   175.032    96.922   39.390  9.9346  33.234  10.632  6.155846       14.55134 
1 1 1 -24 0   24 o 24.551  8.4193  84.196     60.474   77.025     87.571   90.733     83.612   24.831  9.8171  25.765  9.7505  -0.9334679     13.83649 
1 1 1 -24 0   25 o 14.286  6.4723  -16.9516   48.334   -31.2626   80.549   -8.8991    60.421   17.673  8.1373  16.497  7.3741  1.176235       10.98144 
1 1 1 -24 0   26 o 41.989  6.6115  240.657    65.133   260.262    99.476   225.945    86.174   40.805  10.101  38.620  9.3058  2.184601       13.73427 
1 1 1 -24 0   27 o 12.066  5.7904  -59.6240   49.022   -34.3972   81.779   -73.7737   61.247   17.600  8.1376  13.362  6.4278  4.238277       10.37003 
1 1 1 -24 0   28 o 20.085  7.8009  45.605     54.473   106.152    84.220   2.0591     71.424   26.832  9.8578  18.352  8.1209  8.480576       12.77206 
1 1 1 -24 0   29 o 20.666  8.4656  41.218     67.665   -20.7576   93.603   109.053    97.928   19.312  8.8474  27.202  10.489  -7.890160      13.72191 
1 1 1 -24 0   30 o 26.465  9.3698  104.337    75.245   170.105    95.097   -5.7722    123.047  32.211  10.550  22.147  10.145  10.06400       14.63698 
1 1 1 -24 0   31 o 91.950  6.3443  1142.47    140.682  1313.52    179.145  867.287    227.227  96.292  7.7327  67.598  14.300  28.69392       16.25694 
1 1 1 -24 0   32 o 67.335  6.5760  621.029    106.068  1145.69    296.352  543.944    113.593  70.815  17.377  61.661  7.7646  9.154346       19.03304 
1 1 1 -24 0   33 o 17.223  7.9587  -28.3270   78.063   0.0000     0.0000   -28.3270   78.063   ?       ?       17.223  7.9587  0.000000       7.958658 
1 1 1 -24 0   34 o 10.225  5.1668  -186.8314  62.000   0.0000     0.0000   -186.8314  62.000   ?       ?       10.225  5.1668  0.000000       5.166831 
1 1 1 -24 0   35 o 18.641  8.4162  -1.1716    80.927   0.0000     0.0000   -1.1716    80.927   ?       ?       18.641  8.4162  0.000000       8.416245 
1 1 1 -24 0   36 o 21.948  9.4320  49.296     90.457   -493.7891  242.539  137.043    97.491   19.461  9.8716  28.118  10.553  -8.657017      14.45054 
1 1 1 -24 0   37 o 17.925  8.2871  -17.8309   84.788   -95.6942   167.079  9.1762     98.400   20.966  10.211  20.161  9.1731  0.8046379      13.72603 
1 1 1 -24 0   38 o 24.917  8.5025  98.966     61.670   172.060    85.717   20.534     88.792   31.109  10.004  19.892  8.9122  11.21673       13.39784 
1 1 1 -24 0   39 o 21.637  8.0487  69.573     56.461   70.753     77.052   68.205     82.971   22.213  9.0589  22.206  9.2609  0.7148743E-02  12.95484 
1 1 1 -24 0   40 o 11.926  5.7787  -63.7141   51.734   -11.1369   67.672   -137.6528  80.250   16.286  7.4838  13.227  6.5621  3.059209       9.953298 
1 1 1 -24 0   41 o 55.867  5.7516  437.809    76.852   562.689    103.401  283.683    114.872  61.361  7.0745  36.663  11.559  24.69773       13.55189 
1 1 1 -24 0   42 o 40.797  7.1057  253.039    67.784   140.546    90.903   393.925    101.731  26.661  10.148  48.285  9.0146  -21.62394      13.57390 
1 1 1 -24 0   43 o 15.654  7.1398  -3.1489    60.075   22.914     78.277   -40.5002   93.709   18.503  8.3226  16.909  8.0856  1.593712       11.60358 
1 1 1 -24 0   44 o 27.188  8.8092  133.214    66.374   54.039     88.044   237.451    101.021  20.515  9.0503  33.334  10.872  -12.81927      14.14592 
1 1 1 -24 0   45 o 30.072  9.7052  176.003    80.621   201.593    93.487   101.746    159.249  30.977  10.469  23.454  11.013  7.522486       15.19473 
1 1 1 -24 0   46 o 32.681  9.7169  204.713    82.718   169.661    93.795   327.378    175.462  28.183  10.396  31.094  13.243  -2.910975      16.83574 
1 1 1 -24 0   47 o 15.875  7.2168  1.1379     60.735   42.259     76.672   -68.1268   99.509   19.369  8.4986  16.375  7.9529  2.994865       11.63933 
1 1 1 -24 0   48 o 11.480  5.6326  -78.5986   53.711   -63.1973   65.540   -110.0956  93.726   13.489  6.5278  14.845  7.3145  -1.356565      9.803789 
1 1 1 -24 0   49 o 23.871  10.221  113.821    105.533  200.512    226.516  89.787     119.268  25.490  12.286  22.704  10.237  2.785460       15.99192 
1 1 1 -24 0   50 o 41.523  11.663  383.212    122.347  220.364    263.536  427.954    138.135  25.056  12.330  41.790  12.587  -16.73447      17.61975 
1 1 1 -24 0   51 o 20.788  9.4112  64.667     101.992  68.545     238.781  63.802     112.799  22.372  11.136  20.947  9.6392  1.424709       14.72797 
1 1 1 -24 1   1  o 46.864  5.1563  285.127    57.664   258.383    76.815   319.655    87.282   42.990  7.6441  47.788  7.7962  -4.797504      10.91846 
1 1 1 -24 1   2  o 85.841  4.1362  927.631    86.152   875.912    123.054  977.353    120.655  81.327  6.2846  86.477  5.7836  -5.149147      8.540822 
1 1 1 -24 1   3  o 76.902  4.2097  746.778    78.252   807.958    111.927  688.280    109.445  78.529  5.9176  72.080  6.3216  6.449043       8.659141 
1 1 1 -24 1   4  o 76.619  4.2141  740.789    78.042   726.164    112.176  754.507    108.644  74.133  6.2958  75.905  5.9465  -1.771523      8.660128 
1 1 1 -24 1   5  o 76.732  4.2507  742.939    78.832   708.217    113.361  775.454    109.699  73.112  6.4564  77.039  5.9137  -3.926804      8.755399 
1 1 1 -24 1   6  o 61.662  4.5066  482.485    66.960   457.769    97.225   504.788    92.355   58.298  7.0140  61.873  6.2368  -3.574619      9.385816 
1 1 1 -24 1   7  o 64.057  5.8841  535.673    90.433   580.998    105.651  411.447    174.907  66.073  6.6818  48.119  14.083  17.95417       15.58765 
1 1 1 -24 1   8  o 65.272  6.7635  567.720    105.564  515.621    130.357  666.979    179.931  59.970  9.2565  65.437  11.765  -5.466736      14.96975 
1 1 1 -24 1   9  o 20.159  8.4821  24.701     70.548   42.364     85.309   -13.5110   125.475  22.661  9.4156  22.907  10.398  -0.2459545     14.02729 
1 1 1 -24 1   10 f 20.292  7.5249  47.877     49.276   -36.9890   83.391   93.405     61.079   18.024  8.2918  25.945  8.4533  -7.921494      11.84110 
1 1 1 -24 1   11 o 20.763  7.5335  52.185     48.967   95.542     75.699   20.991     64.210   26.453  9.3946  19.254  8.0963  7.199009       12.40199 
1 1 1 -24 1   12 o 12.973  6.1384  -50.9102   51.222   -40.9497   70.980   -61.7332   73.990   16.342  7.5648  15.802  7.4467  0.5397615      10.61505 
1 1 1 -24 1   13 o 20.691  7.9904  45.952     56.901   99.782     77.717   -16.2467   83.540   26.894  9.5224  19.042  8.5785  7.851957       12.81666 
1 1 1 -24 1   14 o 30.256  8.1701  129.950    61.385   165.427    85.128   91.522     88.598   33.287  9.8484  26.493  10.034  6.794046       14.05993 
1 1 1 -24 1   15 o 63.878  5.6460  529.477    86.609   423.859    130.921  611.670    115.493  53.087  10.536  67.397  7.1727  -14.30932      12.74539 
1 1 1 -24 1   16 o 70.094  7.5209  668.419    125.915  713.551    225.882  648.072    151.664  63.115  14.975  66.832  9.6307  -3.716873      17.80475 
1 1 1 -24 1   17 o 58.647  8.9369  490.486    123.154  703.033    252.237  423.959    141.118  59.225  16.785  51.954  11.498  7.270676       20.34564 
1 1 1 -24 1   18 o 89.841  7.3398  1093.29    158.603  1177.83    298.932  1060.17    187.111  79.569  16.037  86.153  9.0880  -6.584511      18.43337 
1 1 1 -24 1   19 f 85.390  4.8579  931.319    100.236  846.294    143.932  1011.39    139.673  78.561  7.6477  87.122  6.6576  -8.561172      10.13957 
1 1 1 -24 1   20 o 89.843  7.0070  1087.71    151.540  1087.71    151.540  0.0000     0.0000   89.843  7.0070  ?       ?       0.000000       7.006958 
1 1 1 -24 1   21 o 95.820  6.8342  1233.39    157.852  1233.39    157.852  0.0000     0.0000   95.820  6.8342  ?       ?       0.000000       6.834240 
1 1 1 -24 1   22 f 46.924  6.8277  299.408    75.459   413.304    104.936  177.446    108.587  53.982  8.2753  33.140  11.283  20.84252       13.99195 
1 1 1 -24 1   23 o 48.685  6.6337  320.832    76.323   392.020    109.089  252.575    106.821  51.794  9.0074  39.742  10.797  12.05273       14.06080 
1 1 1 -24 1   24 o 24.167  8.0562  81.703     55.358   59.186     88.900   95.963     70.749   23.585  9.6872  25.912  9.0939  -2.327023      13.28691 
1 1 1 -24 1   25 o 32.252  7.5808  148.404    58.323   77.178     92.736   195.011    75.016   24.961  10.025  36.342  8.6346  -11.38113      13.23072 
1 1 1 -24 1   26 o 19.560  7.7925  38.794     55.566   98.036     88.670   0.4855     71.303   26.325  10.022  18.287  8.1021  8.037954       12.88752 
1 1 1 -24 1   27 o 39.099  7.0394  212.823    64.328   339.893    101.275  126.883    83.287   47.784  9.0665  28.726  9.8789  19.05843       13.40875 
1 1 1 -24 1   28 o 49.179  5.8644  322.651    68.598   300.788    106.549  338.129    89.650   43.635  10.240  48.724  7.8497  -5.089211      12.90234 
1 1 1 -24 1   29 o 48.697  8.1644  342.638    93.054   416.722    121.929  239.300    144.005  51.729  10.077  35.685  12.924  16.04422       16.38762 
1 1 1 -24 1   30 o 27.479  9.3670  115.169    74.847   151.186    97.556   63.632     116.697  30.400  10.678  24.846  10.696  5.554560       15.11358 
1 1 1 -24 1   31 o 64.588  6.7779  574.631    104.637  811.926    275.835  534.743    113.090  56.221  17.931  61.162  7.7979  -4.941143      19.55355 
1 1 1 -24 1   32 o 74.586  7.3686  784.693    131.609  0.0000     0.0000   784.693    131.609  ?       ?       74.586  7.3686  0.000000       7.368553 
1 1 1 -24 1   33 o 27.841  10.100  124.737    87.999   0.0000     0.0000   124.737    87.999   ?       ?       27.841  10.100  0.000000       10.09952 
1 1 1 -24 1   34 o 17.648  8.0133  -9.8060    74.601   0.0000     0.0000   -9.8060    74.601   ?       ?       17.648  8.0133  0.000000       8.013268 
1 1 1 -24 1   35 o 25.742  10.342  102.764    98.732   78.129     269.632  106.579    106.101  27.854  13.420  26.088  10.634  1.765907       17.12254 
1 1 1 -24 1   36 o 24.828  9.7575  95.758     86.031   278.042    177.893  40.111     98.290   33.725  13.760  21.737  9.5774  11.98833       16.76535 
1 1 1 -24 1   37 o 26.998  8.2009  114.992    58.458   35.410     80.446   204.034    85.093   20.269  8.8023  34.520  9.7371  -14.25134      13.12596 
1 1 1 -24 1   38 o 31.622  8.1389  158.057    62.816   125.499    84.690   197.870    93.654   26.728  9.8744  32.692  10.451  -5.964014      14.37778 
1 1 1 -24 1   39 o 51.999  5.8910  378.198    73.017   204.439    98.965   585.788    108.171  32.393  10.770  62.810  7.2296  -30.41724      12.97168 
1 1 1 -24 1   40 f 24.740  8.4290  101.503    60.607   117.481    80.991   81.169     91.366   25.587  9.6158  22.887  9.6425  2.700562       13.61772 
1 1 1 -24 1   41 o 18.436  7.6663  39.162     56.623   15.553     77.482   66.223     82.951   18.279  8.2457  21.506  9.1311  -3.227196      12.30319 
1 1 1 -24 1   42 o 40.533  7.2508  253.010    68.694   276.825    97.993   230.000    96.323   37.914  10.358  33.740  10.576  4.174206       14.80382 
1 1 1 -24 1   43 o 29.210  8.5049  148.142    63.939   74.338     85.252   243.028    96.664   21.691  9.2344  34.588  10.554  -12.89704      14.02389 
1 1 1 -24 1   44 o 15.576  7.0154  3.9252     55.834   5.0178     73.700   2.4532     85.541   17.152  7.8554  17.844  8.2756  -0.6912880     11.41023 
1 1 1 -24 1   45 o 20.489  8.6394  61.863     73.443   47.300     84.154   108.396    150.432  19.932  8.8179  23.588  10.952  -3.655798      14.06066 
1 1 1 -24 1   46 o 29.162  9.7445  167.256    80.986   99.710     91.411   413.733    174.618  23.192  9.7006  35.420  13.907  -12.22769      16.95636 
1 1 1 -24 1   47 o 16.912  7.3252  23.970     55.417   38.608     74.720   6.0750     82.616   19.078  8.3797  17.833  8.2220  1.245047       11.73972 
1 1 1 -24 1   48 o 14.448  6.6372  -10.0518   53.166   112.456    71.176   -164.6895  79.966   24.673  9.0627  12.341  6.1877  12.33265       10.97362 
1 1 1 -24 1   49 o 14.292  6.9909  -84.9386   80.823   -161.4584  225.418  -73.6503   86.580   19.983  10.067  15.128  7.3635  4.855725       12.47287 
1 1 1 -24 1   50 o 23.815  9.9388  117.784    95.651   -61.1385   248.563  148.885    103.632  21.187  10.661  25.515  10.467  -4.327295      14.94012 
1 1 1 -24 1   51 o 17.271  8.2076  -10.9777   93.535   -233.5614  237.553  29.861     101.754  18.877  9.5946  19.137  8.9258  -0.2597790     13.10445 
1 1 1 -24 2   1  o 23.183  7.3131  73.890     45.978   115.614    64.137   29.783     65.944   28.202  8.5953  19.895  8.2734  8.306274       11.93010 
1 1 1 -24 2   2  o 58.423  4.8849  438.195    68.611   445.827    90.231   427.735    105.643  57.701  6.5615  55.187  8.1331  2.513523       10.44991 
1 1 1 -24 2   3  o 26.632  6.9772  98.362     45.626   106.931    65.688   90.374     63.423   27.295  8.7552  25.463  8.6228  1.832394       12.28848 
1 1 1 -24 2   4  o 43.537  5.7854  249.345    59.602   275.724    80.853   217.951    88.206   44.521  7.7670  38.235  9.5389  6.285912       12.30108 
1 1 1 -24 2   5  o 23.311  7.0739  74.176     43.511   49.631     65.498   93.564     58.211   21.619  8.5083  25.849  8.2367  -4.230265      11.84206 
1 1 1 -24 2   6  o 25.544  8.3350  90.657     59.373   106.923    66.439   26.157     132.301  27.408  8.8066  24.943  11.044  2.465057       14.12563 
1 1 1 -24 2   7  o 26.082  9.1654  93.384     71.877   109.751    82.927   43.955     144.116  27.855  9.8393  26.436  11.624  1.418999       15.22928 
1 1 1 -24 2   8  o 34.621  9.2141  175.727    78.766   161.656    92.648   212.412    149.596  32.675  10.389  35.715  13.136  -3.039909      16.74748 
1 1 1 -24 2   9  o 17.821  7.2004  25.273     48.157   -37.1754   81.140   59.231     59.834   17.747  8.1699  22.205  8.2806  -4.457836      11.63249 
1 1 1 -24 2   10 o 20.612  7.4409  51.702     47.682   112.751    71.440   2.6565     64.033   28.108  9.1414  17.924  7.8178  10.18424       12.02843 
1 1 1 -24 2   11 o 29.602  7.1220  120.846    50.534   84.031     73.806   153.335    69.334   25.298  9.2382  32.661  8.6222  -7.362947      12.63674 
1 1 1 -24 2   12 o 26.952  7.8740  101.669    54.722   187.588    76.626   12.242     78.174   36.050  8.8299  20.083  8.6995  15.96711       12.39549 
1 1 1 -24 2   13 o 19.432  7.8244  32.829     56.656   -17.6155   75.441   98.082     85.803   18.058  8.1421  26.935  9.9414  -8.876812      12.85009 
1 1 1 -24 2   14 o 39.160  7.4754  211.387    68.438   201.204    100.561  220.173    93.407   36.095  10.710  38.304  9.9578  -2.208599      14.62376 
1 1 1 -24 2   15 o 26.827  10.180  95.222     91.299   17.792     168.511  127.396    108.624  26.683  12.087  29.726  11.143  -3.043482      16.43955 
1 1 1 -24 2   16 o 23.514  9.7274  50.810     90.482   19.407     166.073  64.066     107.903  26.557  12.017  25.415  10.577  1.142159       16.00909 
1 1 1 -24 2   17 o 36.566  10.745  208.671    101.640  14.482     185.348  292.178    121.545  27.253  12.473  42.753  11.476  -15.49961      16.94896 
1 1 1 -24 2   18 o 50.028  6.2600  332.384    74.326   321.899    103.005  343.774    107.354  46.849  9.3884  48.368  9.4863  -1.518993      13.34660 
1 1 1 -24 2   19 o 26.873  9.9317  100.288    85.692   100.288    85.692   0.0000     0.0000   26.873  9.9317  ?       ?       0.000000       9.931673 
1 1 1 -24 2   20 o 65.457  7.8732  595.455    122.538  595.455    122.538  0.0000     0.0000   65.457  7.8732  ?       ?       0.000000       7.873193 
1 1 1 -24 2   21 o 18.165  8.3440  -30.8488   84.001   -30.8488   84.001   0.0000     0.0000   18.165  8.3440  ?       ?       0.000000       8.343984 
1 1 1 -24 2   22 o 20.784  8.3119  43.991     63.461   106.637    87.908   -24.1866   91.707   27.250  10.062  19.213  8.7856  8.037451       13.35745 
1 1 1 -24 2   23 o 15.251  6.8641  -13.7858   53.338   23.496     88.083   -35.3719   67.024   21.291  9.2285  15.898  7.3564  5.393147       11.80183 
1 1 1 -24 2   24 o 23.626  8.2795  76.636     58.633   213.471    94.565   -8.8222    74.732   36.779  10.226  18.164  8.1543  18.61575       13.07929 
1 1 1 -24 2   25 o 70.771  4.9423  646.883    84.337   700.511    128.413  606.205    111.838  70.876  7.5848  66.493  7.0389  4.382835       10.34771 
1 1 1 -24 2   26 o 31.824  7.5644  145.062    57.551   41.221     93.251   208.949    73.143   22.557  9.6318  37.909  8.1910  -15.35242      12.64372 
1 1 1 -24 2   27 o 26.025  8.2749  98.698     58.777   152.358    92.639   62.542     76.043   30.847  10.421  22.925  9.1213  7.922390       13.84936 
1 1 1 -24 2   28 o 18.715  8.2460  6.3281     72.871   115.649    99.649   -119.3298  106.836  27.701  10.606  17.126  8.2997  10.57501       13.46722 
1 1 1 -24 2   29 o 54.452  7.9046  424.029    101.385  586.932    132.191  191.315    157.996  62.955  8.9020  32.344  13.051  30.61071       15.79824 
1 1 1 -24 2   30 f 36.953  9.4765  213.399    85.376   246.660    113.160  169.448    130.080  37.755  11.397  31.150  12.067  6.604677       16.59824 
1 1 1 -24 2   31 o 40.430  10.324  266.590    101.629  0.0000     0.0000   266.590    101.629  ?       ?       40.430  10.324  0.000000       10.32373 
1 1 1 -24 2   32 o 61.572  8.0234  551.300    117.021  0.0000     0.0000   551.300    117.021  ?       ?       61.572  8.0234  0.000000       8.023404 
1 1 1 -24 2   33 o 16.647  7.8599  -52.5442   83.161   0.0000     0.0000   -52.5442   83.161   ?       ?       16.647  7.8599  0.000000       7.859936 
1 1 1 -24 2   34 o 31.240  10.902  173.939    101.608  122.620    251.385  183.960    111.086  28.744  13.600  31.620  11.364  -2.875856      17.72316 
1 1 1 -24 2   35 o 25.192  10.017  98.381     91.664   -4.0634    177.405  135.691    107.062  23.767  11.297  27.843  10.902  -4.076300      15.70012 
1 1 1 -24 2   36 o 21.868  9.2232  56.785     83.735   77.408     174.795  50.643     95.393   25.590  11.855  22.034  9.5771  3.556189       15.23984 
1 1 1 -24 2   37 o 42.036  6.8317  255.947    67.289   263.901    96.543   248.432    93.836   38.838  10.137  37.697  10.068  1.141071       14.28720 
1 1 1 -24 2   38 o 24.669  8.2979  97.778     58.729   127.308    81.390   65.702     84.827   26.830  9.7159  22.073  9.2950  4.756359       13.44601 
1 1 1 -24 2   39 o 24.849  8.4166  101.662    60.426   79.598     81.114   129.175    90.578   22.707  9.2814  26.389  10.110  -3.682137      13.72399 
1 1 1 -24 2   40 o 48.471  6.3422  339.707    72.802   320.335    102.654  359.311    103.265  41.880  10.197  45.353  9.6787  -3.473419      14.05929 
1 1 1 -24 2   41 o 33.880  7.9804  186.115    64.523   186.816    86.698   185.245    96.602   31.005  10.070  29.890  10.613  1.115244       14.62995 
1 1 1 -24 2   42 o 29.340  8.4227  147.874    63.108   147.951    85.266   147.782    93.845   27.278  9.9344  26.752  10.280  0.5255585      14.29608 
1 1 1 -24 2   43 o 16.383  7.2496  14.682     56.913   32.228     76.197   -7.4591    85.596   18.781  8.3455  17.447  8.1541  1.333479       11.66772 
1 1 1 -24 2   44 o 14.573  6.9568  -42.7190   68.751   -14.1584   76.584   -161.3157  156.059  16.461  7.6996  17.708  8.8439  -1.246502      11.72595 
1 1 1 -24 2   45 o 18.730  8.2616  34.861     73.341   65.587     81.966   -88.5209   164.251  20.929  8.9858  19.236  9.5159  1.692682       13.08806 
1 1 1 -24 2   46 o 17.349  7.4969  27.856     57.773   106.321    82.266   -48.4996   81.153   23.783  9.4795  15.530  7.4522  8.252604       12.05797 
1 1 1 -24 2   47 o 14.817  6.7600  -5.2737    53.904   6.3174     72.598   -19.5157   80.473   17.140  7.8296  16.569  7.7951  0.5712128      11.04838 
1 1 1 -24 2   48 o 27.755  10.614  170.949    99.737   321.193    246.786  141.619    109.039  27.498  13.142  25.352  10.599  2.145802       16.88285 
1 1 1 -24 2   49 o 19.290  8.7790  33.982     90.202   253.500    239.433  -2.3266    97.376   25.826  12.493  18.141  8.5469  7.685469       15.13704 
1 1 1 -24 2   50 o 19.701  9.0170  43.812     96.907   279.169    239.268  -2.3704    105.989  25.566  12.397  18.319  8.7150  7.246878       15.15417 
1 1 1 -24 3   1  o 61.423  4.3878  479.438    64.964   411.793    91.890   547.035    91.857   55.000  7.0477  64.454  5.9404  -9.454071      9.217254 
1 1 1 -24 3   2  o 56.995  4.5635  414.218    62.580   451.499    88.237   376.487    88.769   58.250  6.3457  52.541  7.1487  5.708904       9.558841 
1 1 1 -24 3   3  o 15.641  6.5361  12.322     41.443   3.4454     60.595   20.123     56.805   17.461  7.6108  18.263  7.6436  -0.8016090     10.78647 
1 1 1 -24 3   4  o 43.381  5.2439  244.257    54.076   247.427    77.492   241.249    75.498   42.048  7.8851  41.588  7.7674  0.4598694      11.06826 
1 1 1 -24 3   5  o 63.562  5.6725  525.812    86.566   554.463    98.906   432.004    178.967  64.713  6.3820  48.961  14.221  15.75200       15.58773 
1 1 1 -24 3   6  o 19.883  8.3148  26.215     67.140   -7.6795    77.676   126.351    133.512  18.807  8.3871  30.129  12.054  -11.32234      14.68453 
1 1 1 -24 3   7  o 41.750  8.6168  248.701    84.395   288.141    99.603   148.317    158.906  44.290  9.5495  31.932  13.014  12.35809       16.14208 
1 1 1 -24 3   8  o 23.197  9.0343  61.139     73.215   94.497     84.735   -37.1301   145.435  26.570  9.8648  23.443  10.844  3.126925       14.65946 
1 1 1 -24 3   9  o 51.902  5.1706  346.832    64.249   387.352    94.979   312.649    87.238   53.234  7.5662  47.564  7.8315  5.669292       10.88942 
1 1 1 -24 3   10 o 17.172  6.9540  22.489     45.029   34.662     69.473   13.671     59.131   20.788  8.5539  18.115  7.7008  2.672871       11.50959 
1 1 1 -24 3   11 o 27.560  7.9751  106.857    56.376   62.308     75.685   162.385    84.498   23.464  9.1723  32.988  9.8238  -9.524237      13.44018 
1 1 1 -24 3   12 o 46.368  5.9837  282.765    65.750   316.486    91.138   246.164    94.950   47.599  8.1863  40.740  9.7377  6.859173       12.72157 
1 1 1 -24 3   13 o 18.936  7.6949  28.961     55.346   37.419     79.555   21.027     77.048   21.835  9.0841  20.505  8.7553  1.330046       12.61649 
1 1 1 -24 3   14 o 31.102  10.472  145.352    93.532   62.108     171.073  180.844    111.706  28.420  12.573  33.895  11.444  -5.475515      17.00098 
1 1 1 -24 3   15 o 23.548  9.6952  52.543     89.313   164.278    165.221  6.4128     106.161  32.760  13.302  22.182  9.8541  10.57868       16.55415 
1 1 1 -24 3   16 o 71.340  7.6141  696.182    129.763  389.023    227.396  844.505    158.018  43.218  16.138  77.534  8.5411  -34.31626      18.25851 
1 1 1 -24 3   17 o 49.853  5.9209  327.166    70.221   385.942    93.657   251.705    106.122  53.026  7.4875  40.194  10.694  12.83277       13.05475 
1 1 1 -24 3   18 o 19.015  8.4911  -6.6393    79.895   -6.6393    79.895   0.0000     0.0000   19.015  8.4911  ?       ?       0.000000       8.491148 
1 1 1 -24 3   19 o 53.415  8.2475  402.708    103.451  402.708    103.451  0.0000     0.0000   53.415  8.2475  ?       ?       0.000000       8.247488 
1 1 1 -24 3   20 o 64.915  7.6900  583.722    118.771  583.722    118.771  0.0000     0.0000   64.915  7.6900  ?       ?       0.000000       7.690000 
1 1 1 -24 3   21 o 42.166  7.3938  247.247    72.889   273.952    99.256   215.990    107.385  42.432  9.8328  36.448  11.125  5.984509       14.84737 
1 1 1 -24 3   22 o 18.624  7.5909  29.183     54.065   -11.7140   83.903   58.222     70.700   19.008  8.5770  22.461  8.8397  -3.452911      12.31683 
1 1 1 -24 3   23 o 72.460  4.7830  674.496    83.619   713.285    125.869  643.852    111.875  71.952  7.3112  68.910  6.7787  3.041748       9.970120 
1 1 1 -24 3   24 o 83.221  4.7160  888.615    94.838   977.380    142.275  817.636    127.225  84.616  6.9923  77.558  6.8302  7.058029       9.774700 
1 1 1 -24 3   25 o 60.891  5.2516  483.754    76.832   720.009    115.507  296.263    102.898  72.948  6.5971  43.739  9.9234  29.20931       11.91616 
1 1 1 -24 3   26 o 63.840  5.1497  530.680    79.092   565.298    122.652  506.037    103.482  62.746  8.2566  60.444  7.1973  2.302383       10.95321 
1 1 1 -24 3   27 o 30.752  9.5981  147.431    79.424   146.058    107.084  149.110    118.415  30.030  11.102  30.200  11.562  -0.1693249     16.02859 
1 1 1 -24 3   28 o 25.222  9.3429  90.821     75.919   72.104     102.806  113.269    112.590  24.775  10.319  27.662  11.068  -2.887079      15.13196 
1 1 1 -24 3   29 o 27.529  9.3573  115.958    74.690   94.108     97.231   147.412    116.658  25.923  10.314  29.836  11.463  -3.912842      15.42011 
1 1 1 -24 3   30 o 40.570  8.8462  249.128    84.626   0.0000     0.0000   249.128    84.626   ?       ?       40.570  8.8462  0.000000       8.846198 
1 1 1 -24 3   31 o 50.173  9.4586  389.637    110.926  0.0000     0.0000   389.637    110.926  ?       ?       50.173  9.4586  0.000000       9.458632 
1 1 1 -24 3   32 o 22.829  9.5831  58.022     89.708   0.0000     0.0000   58.022     89.708   ?       ?       22.829  9.5831  0.000000       9.583137 
1 1 1 -24 3   33 o 40.220  9.9950  266.144    97.115   561.238    258.063  217.458    104.821  42.857  16.882  34.904  11.046  7.952900       20.17399 
1 1 1 -24 3   34 o 37.474  10.625  245.543    101.047  -10.0228   191.927  343.549    118.853  24.243  11.587  44.121  11.109  -19.87781      16.05202 
1 1 1 -24 3   35 o 41.250  9.8799  284.861    97.584   957.164    196.572  64.991     112.414  73.605  11.373  23.561  10.315  50.04380       15.35423 
1 1 1 -24 3   36 o 23.000  8.4289  80.390     61.519   124.825    81.530   21.640     93.746   26.973  9.7309  20.302  9.1223  6.670301       13.33815 
1 1 1 -24 3   37 o 20.937  8.2479  60.569     61.606   138.841    84.475   -28.3545   90.039   27.842  9.9203  17.681  8.2951  10.16139       12.93141 
1 1 1 -24 3   38 o 29.386  8.3640  141.342    62.494   138.544    84.388   144.742    92.998   27.517  9.9034  27.658  10.322  -0.1410675     14.30431 
1 1 1 -24 3   39 o 28.230  8.3753  132.716    61.503   179.839    85.041   81.039     89.055   30.998  9.9638  22.781  9.5548  8.216764       13.80478 
1 1 1 -24 3   40 o 38.983  7.5309  236.489    68.656   208.384    92.832   270.422    102.004  32.484  10.407  37.003  10.733  -4.518909      14.95009 
1 1 1 -24 3   41 o 38.764  7.4255  234.646    67.300   30.296     95.927   432.729    94.444   19.814  9.0313  52.528  7.6334  -32.71426      11.82510 
1 1 1 -24 3   42 o 11.931  5.7794  -58.7093   51.646   -80.9010   70.938   -33.6793   75.338   13.506  6.5939  15.604  7.4010  -2.098338      9.912374 
1 1 1 -24 3   43 o 15.002  7.0693  -27.4190   66.672   -38.7653   73.626   24.277     157.156  15.202  7.2408  21.344  10.275  -6.142632      12.56964 
1 1 1 -24 3   44 o 12.708  6.2412  -89.3515   66.455   -56.5803   73.523   -235.6330  155.335  14.524  7.0001  16.590  8.3576  -2.065970      10.90185 
1 1 1 -24 3   45 o 23.122  8.4445  93.043     61.671   93.770     86.832   92.302     87.605   22.793  9.4872  22.692  9.4943  0.1008778      13.42195 
1 1 1 -24 3   46 o 38.858  7.5280  239.531    68.415   240.768    92.078   238.006    102.220  34.892  10.220  33.121  10.943  1.770844       14.97295 
1 1 1 -24 3   47 o 18.099  7.6056  38.860     56.603   59.454     76.447   13.870     84.212   20.400  8.7162  18.240  8.3694  2.160706       12.08379 
1 1 1 -24 3   48 o 19.206  8.7580  30.571     90.328   443.018    237.288  -39.3233   97.682   30.418  13.991  16.970  8.1517  13.44889       16.19275 
1 1 1 -24 3   49 o 18.173  8.4979  8.0164     93.163   -449.2563  240.971  88.378     101.018  ?       ?       22.024  9.7064  0.000000       9.706367 
1 1 1 -24 3   50 o 21.216  9.4660  80.839     99.070   -455.6172  248.193  182.516    108.052  ?       ?       26.708  10.787  0.000000       10.78746 
1 1 1 -24 4   1  o 21.030  7.4794  56.382     47.997   48.714     68.085   63.957     67.673   21.594  8.6185  22.898  8.7465  -1.304432      12.27924 
1 1 1 -24 4   2  o 74.035  4.4066  695.258    78.802   728.789    113.291  663.831    109.682  74.101  6.3627  70.597  6.4751  3.504211       9.078040 
1 1 1 -24 4   3  o 13.993  6.2972  -14.3297   44.874   45.763     68.128   -60.3809   59.639   21.425  8.5967  13.796  6.5555  7.629715       10.81096 
1 1 1 -24 4   4  o 53.414  6.4157  379.865    81.487   347.749    92.187   494.615    174.256  50.025  7.8536  53.668  13.418  -3.643253      15.54700 
1 1 1 -24 4   5  o 56.838  9.6333  472.749    128.110  472.749    128.110  0.0000     0.0000   56.838  9.6333  ?       ?       0.000000       9.633290 
1 1 1 -24 4   6  o 46.879  11.050  341.664    123.642  341.664    123.642  0.0000     0.0000   46.879  11.050  ?       ?       0.000000       11.05026 
1 1 1 -24 4   7  o 31.644  7.8560  141.298    60.040   205.183    108.485  113.091    72.086   36.038  11.212  28.066  9.1853  7.972313       14.49445 
1 1 1 -24 4   8  o 15.301  6.6727  -1.0048    46.630   -52.0259   77.757   27.647     58.270   16.654  7.7794  19.119  7.8466  -2.465237      11.04937 
1 1 1 -24 4   9  o 23.511  7.8819  74.227     52.987   -13.4947   87.869   124.352    66.422   19.591  8.8145  29.397  8.6998  -9.805765      12.38474 
1 1 1 -24 4   10 o 43.842  6.2645  255.142    64.746   207.625    95.649   295.328    87.962   36.921  10.291  45.919  8.1954  -8.997704      13.15592 
1 1 1 -24 4   11 o 31.559  8.4941  143.083    66.480   108.393    89.858   185.031    98.811   27.869  10.191  34.631  10.689  -6.762774      14.76833 
1 1 1 -24 4   12 o 17.908  7.6811  10.151     59.787   54.001     94.659   -18.9513   77.115   24.026  9.9451  18.150  8.2033  5.875984       12.89188 
1 1 1 -24 4   13 o 34.763  11.089  189.584    105.488  0.0000     0.0000   189.584    105.488  ?       ?       34.763  11.089  0.000000       11.08908 
1 1 1 -24 4   14 o 50.136  9.0077  361.298    105.551  382.657    190.688  351.864    126.737  44.834  14.952  47.442  11.191  -2.607552      18.67647 
1 1 1 -24 4   15 o 62.688  8.0837  546.397    120.093  352.719    212.168  637.703    145.676  41.883  15.598  66.498  9.2815  -24.61557      18.15057 
1 1 1 -24 4   16 o 64.618  5.1631  537.859    80.276   515.093    109.107  564.730    118.533  61.340  7.4859  63.953  7.8002  -2.612766      10.81124 
1 1 1 -24 4   17 o 19.610  8.5280  11.033     75.716   11.033     75.716   0.0000     0.0000   19.610  8.5280  ?       ?       0.000000       8.527958 
1 1 1 -24 4   18 o 81.582  6.8067  893.787    133.509  893.787    133.509  0.0000     0.0000   81.582  6.8067  ?       ?       0.000000       6.806715 
1 1 1 -24 4   19 o 16.455  7.6607  -44.3787   74.400   -44.3787   74.400   0.0000     0.0000   16.455  7.6607  ?       ?       0.000000       7.660748 
1 1 1 -24 4   20 f 32.304  8.3547  151.974    65.976   161.885    87.418   138.856    100.567  32.333  10.066  30.030  10.811  2.302727       14.77149 
1 1 1 -24 4   21 o 23.824  8.2177  78.147     57.653   173.781    87.514   4.8163     76.632   33.417  10.008  19.182  8.4538  14.23585       13.10066 
1 1 1 -24 4   22 o 39.336  6.5284  210.680    60.126   193.128    90.764   224.406    80.263   35.066  10.111  39.062  8.6922  -3.996452      13.33382 
1 1 1 -24 4   23 o 44.024  6.3206  261.761    65.581   220.928    101.337  291.186    86.024   36.945  10.693  45.030  8.1743  -8.084278      13.45937 
1 1 1 -24 4   24 o 49.482  5.8632  325.874    69.027   293.036    105.867  350.158    91.039   43.153  10.261  49.728  7.8018  -6.575230      12.89019 
1 1 1 -24 4   25 o 12.070  5.8062  -62.9108   49.980   -13.4523   80.332   -94.1476   63.841   18.417  8.3439  12.978  6.3184  5.439646       10.46631 
1 1 1 -24 4   26 o 42.127  8.0892  256.650    79.680   258.571    96.786   252.611    140.365  40.632  9.9065  36.882  12.817  3.750248       16.19901 
1 1 1 -24 4   27 o 19.682  8.3267  27.584     68.585   93.305     88.656   -70.3714   108.235  25.743  9.9648  18.702  8.8705  7.041008       13.34102 
1 1 1 -24 4   28 o 44.841  8.3900  295.272    87.931   310.451    112.777  271.739    140.425  43.537  10.742  37.912  12.831  5.625858       16.73363 
1 1 1 -24 4   29 o 35.085  9.5031  193.913    82.901   421.810    261.548  168.461    87.407   39.174  16.399  32.201  10.072  6.972744       19.24501 
1 1 1 -24 4   30 o 18.120  8.3278  -22.1263   83.833   0.0000     0.0000   -22.1263   83.833   ?       ?       18.120  8.3278  0.000000       8.327796 
1 1 1 -24 4   31 o 35.129  10.310  206.499    93.621   0.0000     0.0000   206.499    93.621   ?       ?       35.129  10.310  0.000000       10.30958 
1 1 1 -24 4   32 o 19.851  8.7359  19.147     81.553   -142.1253  237.954  40.611     86.810   23.758  11.696  21.480  9.2356  2.278143       14.90277 
1 1 1 -24 4   33 o 21.983  9.3755  50.164     88.164   132.312    179.745  24.139     101.170  28.160  12.644  21.319  9.5349  6.841345       15.83604 
1 1 1 -24 4   34 o 32.052  10.598  184.664    95.871   160.489    183.155  193.787    112.516  28.712  12.836  31.797  11.436  -3.085085      17.19187 
1 1 1 -24 4   35 o 26.736  10.290  124.094    94.110   -75.2702   192.126  187.031    107.948  22.321  10.888  31.123  11.201  -8.802288      15.62050 
1 1 1 -24 4   36 o 19.636  7.9871  46.234     59.702   16.449     78.912   86.102     91.297   18.921  8.4447  23.740  9.7915  -4.818638      12.93011 
1 1 1 -24 4   37 o 22.907  8.5554  82.433     63.919   84.104     86.843   80.457     94.422   23.280  9.5697  23.184  9.7871  0.9555244E-01  13.68814 
1 1 1 -24 4   38 o 14.438  6.7052  -22.2047   56.444   56.921     74.017   -132.1636  87.254   20.815  8.7195  14.036  6.9422  6.778792       11.14556 
1 1 1 -24 4   39 o 69.050  5.1743  652.493    86.061   593.956    117.635  719.906    126.239  61.152  8.1295  67.953  7.7975  -6.801418      11.26449 
1 1 1 -24 4   40 o 21.251  8.1384  71.143     58.686   63.531     82.013   79.131     84.014   21.114  9.0247  22.165  9.2876  -1.051039      12.95006 
1 1 1 -24 4   41 o 24.545  8.6563  106.579    64.161   91.618     89.604   122.322    91.916   22.820  9.5783  24.865  9.9823  -2.044523      13.83439 
1 1 1 -24 4   42 o 18.879  7.8465  46.751     59.268   112.666    79.860   -34.0697   88.430   24.331  9.4467  16.607  7.9172  7.724077       12.32566 
1 1 1 -24 4   43 o 26.905  9.8003  145.735    82.985   96.966     93.617   324.611    179.291  22.940  9.7180  30.547  13.203  -7.606756      16.39415 
1 1 1 -24 4   44 f 15.166  7.1830  -31.6171   70.466   -32.5560   78.188   -27.5557   162.620  15.819  7.5139  20.282  9.9196  -4.462303      12.44417 
1 1 1 -24 4   45 o 15.879  7.1066  8.2999     56.304   13.985     77.182   1.8334     82.318   17.815  8.1129  17.578  8.1404  0.2372341      11.49283 
1 1 1 -24 4   46 o 12.887  6.1678  -45.0641   54.789   -28.4744   72.299   -67.4421   83.970   15.488  7.3174  15.143  7.3435  0.3447247      10.36684 
1 1 1 -24 4   47 o 16.836  8.0274  -30.6388   90.981   134.905    227.839  -62.0435   99.236   24.088  11.773  16.434  7.9727  7.653404       14.21828 
1 1 1 -24 4   48 o 44.126  11.294  414.701    121.427  1645.13    276.452  120.576    135.163  78.177  15.121  23.526  10.722  54.65159       18.53643 
1 1 1 -24 4   49 o 21.064  9.3972  74.783     97.609   -125.0827  245.984  112.135    106.339  20.111  10.174  22.937  10.038  -2.825333      14.29175 
1 1 1 -24 5   1  o 63.888  4.5665  520.503    70.322   598.806    102.772  451.566    96.431   67.034  6.3961  57.613  7.0450  9.421486       9.515354 
1 1 1 -24 5   2  o 48.682  5.3567  308.503    62.228   212.041    91.452   391.673    84.918   37.256  9.9345  54.000  6.6196  -16.74414      11.93791 
1 1 1 -24 5   3  o 24.535  9.6351  72.441     83.827   56.700     99.300   111.476    156.373  24.308  10.134  29.663  12.562  -5.354588      16.14038 
1 1 1 -24 5   4  o 61.244  7.6759  516.502    111.561  537.646    135.850  472.710    195.508  60.649  9.5471  49.992  14.956  10.65717       17.74317 
1 1 1 -24 5   5  o 53.332  8.4714  401.913    105.958  347.538    128.711  516.247    186.640  46.793  11.434  53.975  14.097  -7.182365      18.15112 
1 1 1 -24 5   6  o 64.573  5.2418  537.378    81.420   609.568    137.814  498.671    100.914  65.420  8.9141  60.870  6.9576  4.549664       11.30788 
1 1 1 -24 5   7  o 66.922  4.9730  573.434    80.176   525.677    109.718  628.156    117.447  62.126  7.4256  68.165  7.2104  -6.038940      10.35033 
1 1 1 -24 5   8  o 53.844  5.8220  379.332    74.852   449.589    107.099  312.244    104.657  56.977  7.9645  45.990  9.6846  10.98683       12.53898 
1 1 1 -24 5   9  o 20.929  8.0403  48.578     57.392   45.579     87.781   50.817     75.849   22.982  9.5502  22.498  9.0553  0.4840412      13.16070 
1 1 1 -24 5   10 o 14.947  6.8243  -24.8558   55.056   -4.9114    88.947   -37.2433   70.099   20.107  8.9704  16.361  7.5540  3.745642       11.72736 
1 1 1 -24 5   11 o 55.581  6.1900  407.699    82.061   487.329    130.954  356.213    105.300  57.728  9.6927  49.750  9.0568  7.977684       13.26547 
1 1 1 -24 5   12 o 72.766  8.7463  748.396    151.333  0.0000     0.0000   748.396    151.333  ?       ?       72.766  8.7463  0.000000       8.746328 
1 1 1 -24 5   13 o 56.442  8.0753  443.599    107.441  320.378    196.410  496.215    128.346  40.721  15.039  58.525  9.3530  -17.80447      17.70989 
1 1 1 -24 5   14 o 59.596  7.9090  492.220    111.543  377.114    204.925  540.680    132.966  43.465  15.455  61.178  9.2459  -17.71281      18.00945 
1 1 1 -24 5   15 o 63.977  5.3322  529.528    82.020   580.922    117.900  481.328    114.177  65.022  7.6173  58.550  8.2668  6.471485       11.24112 
1 1 1 -24 5   16 o 15.732  7.5263  -84.7673   81.393   -84.7673   81.393   0.0000     0.0000   15.732  7.5263  ?       ?       0.000000       7.526265 
1 1 1 -24 5   17 o 56.499  8.5679  454.973    113.772  454.973    113.772  0.0000     0.0000   56.499  8.5679  ?       ?       0.000000       8.567856 
1 1 1 -24 5   18 o 54.955  8.1728  426.290    105.661  426.290    105.661  0.0000     0.0000   54.955  8.1728  ?       ?       0.000000       8.172812 
1 1 1 -24 5   19 o 38.314  7.4929  205.707    67.162   213.240    91.166   196.767    99.320   37.205  9.9181  35.119  10.694  2.085594       14.58554 
1 1 1 -24 5   20 o 49.475  5.9619  325.153    70.129   236.145    99.430   413.263    98.927   38.722  10.374  54.365  7.7161  -15.64237      12.92866 
1 1 1 -24 5   21 o 44.396  6.0666  263.686    63.641   296.004    96.679   238.974    84.541   44.533  9.2496  40.167  8.9076  4.365383       12.84138 
1 1 1 -24 5   22 o 63.286  5.0620  519.167    77.081   640.568    116.082  423.423    103.088  68.307  7.1079  54.607  8.0193  13.70052       10.71594 
1 1 1 -24 5   23 f 60.621  5.2961  480.045    77.119   593.336    117.083  393.231    102.492  65.182  7.5423  52.194  8.3762  12.98766       11.27148 
1 1 1 -24 5   24 o 37.588  7.1645  198.071    62.958   203.978    98.616   194.007    81.797   35.351  10.632  35.534  9.3577  -0.1837845     14.16370 
1 1 1 -24 5   25 o 41.352  6.9148  237.136    66.931   339.039    103.050  162.781    88.026   47.397  9.2927  31.923  10.124  15.47343       13.74238 
1 1 1 -24 5   26 o 19.907  8.4013  29.529     69.548   58.664     86.410   -24.0604   117.192  23.117  9.5293  21.060  9.7388  2.056606       13.62540 
1 1 1 -24 5   27 o 54.688  7.7819  426.488    100.349  517.894    126.512  271.409    164.787  58.718  9.1803  36.617  13.725  22.10111       16.51207 
1 1 1 -24 5   28 o 57.490  7.5296  468.269    102.508  514.779    129.218  389.307    168.368  57.995  9.5127  43.767  14.015  14.22733       16.93818 
1 1 1 -24 5   29 o 17.232  8.0603  -42.9654   83.935   0.0000     0.0000   -42.9654   83.935   ?       ?       17.232  8.0603  0.000000       8.060283 
1 1 1 -24 5   30 o 39.287  10.574  258.991    103.023  0.0000     0.0000   258.991    103.023  ?       ?       39.287  10.574  0.000000       10.57400 
1 1 1 -24 5   31 o 17.664  8.2550  -37.9256   87.712   0.0000     0.0000   -37.9256   87.712   ?       ?       17.664  8.2550  0.000000       8.254981 
1 1 1 -24 5   32 o 17.928  8.3746  -34.3724   90.108   273.127    261.904  -75.6581   95.967   32.292  14.796  16.985  8.1378  15.30783       16.88642 
1 1 1 -24 5   33 o 32.868  10.564  192.487    95.594   304.876    221.026  166.627    106.023  33.444  14.557  30.096  11.060  3.348537       18.28218 
1 1 1 -24 5   34 f 50.729  9.4136  416.340    111.604  530.278    243.603  386.072    125.556  40.152  16.204  46.004  11.324  -5.852497      19.76921 
1 1 1 -24 5   35 o 31.601  8.7583  163.296    69.482   113.383    95.762   218.783    100.968  25.717  10.235  34.035  10.848  -8.317867      14.91413 
1 1 1 -24 5   36 o 32.290  8.5559  170.191    68.109   119.975    97.401   218.239    95.276   25.866  10.313  34.178  10.487  -8.311781      14.70845 
1 1 1 -24 5   37 o 23.704  8.5753  91.870     63.379   28.663     84.425   173.491    95.938   19.645  8.7537  29.710  10.573  -10.06486      13.72684 
1 1 1 -24 5   38 o 49.667  6.4738  359.028    76.162   469.473    102.549  223.168    113.737  54.678  7.9634  31.811  11.491  22.86698       13.98045 
1 1 1 -24 5   39 o 16.283  7.2132  11.482     56.501   -34.9091   76.231   68.032     84.166   15.775  7.4714  21.509  9.1666  -5.733397      11.82572 
1 1 1 -24 5   40 o 24.043  8.6073  101.182    63.664   161.688    84.825   23.138     96.338   28.493  9.9600  19.438  8.9311  9.055315       13.37775 
1 1 1 -24 5   41 o 15.232  6.8928  0.4013     54.640   -20.9903   77.285   21.779     77.260   16.243  7.6411  18.243  8.2311  -1.999769      11.23110 
1 1 1 -24 5   42 o 18.297  8.2395  24.224     76.976   29.969     86.392   2.0917     169.557  19.081  8.6481  21.063  10.264  -1.981565      13.42157 
1 1 1 -24 5   43 o 15.479  7.3149  -27.8193   72.320   20.735     80.369   -234.4564  165.798  18.293  8.3105  17.078  8.6074  1.215487       11.96460 
1 1 1 -24 5   44 o 23.693  8.3863  98.334     60.273   47.353     83.187   154.675    87.451   19.849  8.7749  27.330  10.045  -7.480877      13.33755 
1 1 1 -24 5   45 o 41.825  7.2662  272.973    71.064   281.795    95.999   262.279    105.701  38.100  10.187  34.629  11.106  3.470997       15.07061 
1 1 1 -24 5   46 o 19.800  8.6870  48.851     80.098   353.027    232.721  7.9756     85.310   28.563  13.380  17.986  8.3143  10.57746       15.75272 
1 1 1 -24 5   47 o 15.268  7.4166  -66.6935   86.627   -531.2810  225.226  13.968     93.846   ?       ?       18.576  8.6334  0.000000       8.633405 
1 1 1 -24 5   48 o 23.389  10.021  116.429    101.547  291.485    253.695  83.030     110.812  25.546  12.472  21.698  9.8176  3.848623       15.87257 
1 1 1 -24 5   49 o 22.118  9.6989  101.722    99.729   -466.8060  264.608  195.852    107.669  ?       ?       27.378  10.866  0.000000       10.86609 
1 1 1 -24 6   1  o 34.760  6.5730  164.697    53.407   102.956    77.204   221.354    73.957   26.822  9.4916  39.478  7.9950  -12.65527      12.41007 
1 1 1 -24 6   2  o 51.397  8.4540  376.165    101.764  375.482    117.595  378.204    203.074  49.852  10.068  43.050  15.377  6.801777       18.37975 
1 1 1 -24 6   3  o 44.115  9.4193  288.013    97.757   260.298    111.997  376.689    200.332  40.393  11.089  43.292  15.293  -2.898449      18.89030 
1 1 1 -24 6   4  o 35.374  10.124  192.089    91.302   144.807    102.966  366.030    197.490  30.779  10.954  42.969  15.183  -12.19011      18.72227 
1 1 1 -24 6   5  o 36.424  7.2615  183.417    61.925   256.819    106.109  145.504    76.258   40.641  10.637  31.307  9.3347  9.333937       14.15183 
1 1 1 -24 6   6  o 64.827  4.7279  536.133    73.856   473.347    106.319  594.685    102.672  58.659  7.6522  66.974  6.3957  -8.315819      9.973053 
1 1 1 -24 6   7  o 95.611  4.4390  1154.51    102.982  1276.06    146.155  1034.67    145.127  98.618  6.1384  87.961  6.8539  10.65742       9.200802 
1 1 1 -24 6   8  o 112.762 4.5327  1608.29    124.017  1574.36    174.190  1643.16    176.609  108.928 6.6219  111.369 6.5646  -2.441460      9.324385 
1 1 1 -24 6   9  o 97.283  4.6307  1199.13    109.306  1190.34    159.240  1206.95    150.311  94.186  7.0183  95.454  6.5290  -1.268967      9.585629 
1 1 1 -24 6   10 o 110.723 5.0539  1566.14    135.777  1676.74    218.767  1496.84    173.166  109.847 8.2685  105.999 6.7681  3.847923       10.68531 
1 1 1 -24 6   11 f 94.719  8.2189  1246.91    187.020  0.0000     0.0000   1246.91    187.020  ?       ?       94.719  8.2189  0.000000       8.218948 
1 1 1 -24 6   12 f 72.938  7.2124  720.464    125.970  549.649    228.512  795.034    150.984  51.967  16.290  75.290  8.4083  -23.32354      18.33229 
1 1 1 -24 6   13 o 31.383  11.121  151.978    106.015  0.0000     0.0000   151.978    106.015  ?       ?       31.383  11.121  0.000000       11.12068 
1 1 1 -24 6   14 o 34.513  8.2150  170.766    67.803   119.391    98.617   216.821    93.373   28.695  10.644  37.665  10.036  -8.970493      14.62953 
1 1 1 -24 6   15 o 50.249  6.1950  335.627    73.933   306.611    109.282  360.115    100.395  44.752  10.280  50.229  8.5433  -5.477703      13.36695 
1 1 1 -24 6   16 o 59.468  8.1464  497.217    114.458  497.217    114.458  0.0000     0.0000   59.468  8.1464  ?       ?       0.000000       8.146390 
1 1 1 -24 6   17 o 43.523  10.063  289.838    104.142  289.838    104.142  0.0000     0.0000   43.523  10.063  ?       ?       0.000000       10.06259 
1 1 1 -24 6   18 o 29.677  8.7946  130.188    67.843   143.531    96.547   117.174    95.353   30.408  10.626  28.219  10.467  2.189079       14.91550 
1 1 1 -24 6   19 o 38.890  7.9668  216.008    72.649   258.391    102.303  172.891    103.185  40.566  10.358  32.711  10.999  7.854282       15.10813 
1 1 1 -24 6   20 o 40.591  6.6323  224.940    63.064   165.881    102.581  260.822    79.959   32.032  10.966  42.747  8.0032  -10.71434      13.57570 
1 1 1 -24 6   21 o 74.366  4.8061  711.632    86.258   677.707    126.997  740.686    117.527  69.646  7.6406  74.038  6.6117  -4.391701      10.10410 
1 1 1 -24 6   22 f 34.020  7.6567  165.790    61.678   141.252    92.374   185.530    82.851   29.937  10.398  34.627  9.5509  -4.690317      14.11851 
1 1 1 -24 6   23 o 29.751  8.0409  129.630    59.428   36.517     90.904   199.126    78.534   22.072  9.4694  36.328  8.9644  -14.25570      13.03956 
1 1 1 -24 6   24 o 50.202  5.9294  337.027    70.831   325.025    107.546  346.222    94.130   45.651  9.9868  48.939  8.2183  -3.287590      12.93358 
1 1 1 -24 6   25 o 46.273  7.9644  307.877    86.197   211.802    106.412  491.215    146.997  35.386  11.120  54.413  11.494  -19.02629      15.99308 
1 1 1 -24 6   26 o 62.255  7.2114  540.516    106.915  581.924    134.338  468.973    176.581  62.293  9.1615  48.779  14.114  13.51421       16.82681 
1 1 1 -24 6   27 o 29.247  9.4481  133.960    76.394   158.356    97.033   94.184     123.898  30.893  10.661  26.595  11.218  4.297798       15.47577 
1 1 1 -24 6   28 o 91.809  6.7695  1161.05    149.738  0.0000     0.0000   1161.05    149.738  ?       ?       91.809  6.7695  0.000000       6.769516 
1 1 1 -24 6   29 o 72.595  7.8950  761.880    136.825  0.0000     0.0000   761.880    136.825  ?       ?       72.595  7.8950  0.000000       7.895031 
1 1 1 -24 6   30 o 19.510  8.7304  7.2091     84.939   0.0000     0.0000   7.2091     84.939   ?       ?       19.510  8.7304  0.000000       8.730447 
1 1 1 -24 6   31 o 26.752  9.0671  113.059    70.128   34.945     105.545  174.804    93.836   22.162  9.8362  31.724  10.485  -9.561941      14.37625 
1 1 1 -24 6   32 o 17.601  8.1900  -28.3257   84.854   23.838     200.389  -39.7224   93.665   25.188  11.983  17.934  8.4286  7.254269       14.65033 
1 1 1 -24 6   33 o 29.576  10.762  160.605    100.029  381.892    235.780  112.034    110.463  35.010  15.137  26.019  10.755  8.990177       18.56819 
1 1 1 -24 6   34 o 24.132  8.6069  91.934     63.602   88.147     86.334   96.429     94.056   23.912  9.6481  24.591  10.016  -0.6793194     13.90735 
1 1 1 -24 6   35 o 16.680  7.3566  9.8986     58.138   25.553     81.313   -6.4747    83.159   19.500  8.6452  18.015  8.2848  1.485264       11.97406 
1 1 1 -24 6   36 o 23.308  8.5874  87.602     63.976   117.142    86.340   51.637     95.268   25.585  9.8532  21.432  9.4368  4.152550       13.64327 
1 1 1 -24 6   37 o 19.741  8.1604  49.686     63.609   52.597     85.731   46.122     94.877   20.889  9.0792  20.902  9.2992  -0.1356697E-01 12.99642 
1 1 1 -24 6   38 f 9.3598  4.7367  -162.1769  53.686   -188.1880  72.112   -129.8342  80.411   11.144  5.6238  13.278  6.5841  -2.133776      8.659010 
1 1 1 -24 6   39 o 28.385  8.8305  143.647    67.290   109.821    91.033   184.392    99.910   24.102  9.8398  29.210  10.736  -5.108057      14.56313 
1 1 1 -24 6   40 o 23.594  8.5190  97.529     62.505   64.105     86.721   133.665    90.170   20.997  9.1289  25.622  10.013  -4.625389      13.54972 
1 1 1 -24 6   41 o 27.412  9.0310  139.754    69.641   94.182     96.730   188.794    100.344  22.742  9.7628  29.034  10.744  -6.292053      14.51701 
1 1 1 -24 6   42 o 15.180  7.2110  -34.2155   72.058   -32.2013   82.629   -40.6113   147.243  16.158  7.6891  19.421  9.4860  -3.263378      12.21093 
1 1 1 -24 6   43 o 16.572  7.6896  -5.8271    73.996   58.816     82.203   -281.9265  169.887  20.438  8.8870  16.688  8.4434  3.750086       12.25848 
1 1 1 -24 6   44 o 37.566  7.9480  231.399    70.186   185.407    95.820   284.639    103.094  29.207  10.547  36.993  10.808  -7.786535      15.10144 
1 1 1 -24 6   45 o 15.425  7.0277  -1.2749    58.007   -13.4756   77.831   13.970     87.000   16.544  7.7458  18.350  8.4520  -1.806063      11.46444 
1 1 1 -24 6   46 o 17.243  8.0856  -7.6225    85.368   -101.6609  276.114  2.3169     89.767   21.407  10.824  17.915  8.3652  3.492168       13.67997 
1 1 1 -24 6   47 o 17.231  8.1087  -6.8504    87.170   -15.9611   283.950  -5.9025    91.592   21.894  11.062  17.534  8.2694  4.360474       13.81156 
1 1 1 -24 6   48 o 22.995  10.020  116.878    104.966  364.060    297.798  81.813     112.164  25.121  12.493  21.335  9.7406  3.785643       15.84127 
1 1 1 -24 7   1  o 23.305  9.3853  59.731     81.527   60.711     91.802   56.073     177.351  23.974  9.8451  27.819  12.519  -3.845642      15.92653 
1 1 1 -24 7   2  o 36.637  9.9101  205.820    90.225   211.696    101.940  184.574    193.852  36.482  10.772  33.339  14.046  3.142998       17.70113 
1 1 1 -24 7   3  f 44.054  9.4089  287.771    97.518   247.608    110.750  426.363    205.731  39.270  11.119  45.747  15.530  -6.477001      19.10032 
1 1 1 -24 7   4  f 39.375  6.5294  209.403    60.197   260.429    86.747   162.010    83.603   42.445  8.7148  32.670  9.7814  9.775570       13.10050 
1 1 1 -24 7   5  o 50.934  5.4407  337.799    66.200   380.336    93.483   295.011    93.759   52.518  7.5533  45.148  8.8750  7.370007       11.65412 
1 1 1 -24 7   6  o 17.523  7.2018  21.727     49.171   43.963     74.140   4.2653     65.699   21.747  8.8795  18.118  7.9102  3.629480       11.89183 
1 1 1 -24 7   7  o 13.707  6.4129  -41.5307   53.182   -11.2772   78.303   -67.4361   72.458   18.609  8.3510  15.284  7.2521  3.324676       11.06039 
1 1 1 -24 7   8  o 30.082  8.3764  130.488    63.399   203.186    91.856   64.351     87.613   36.476  10.055  24.170  9.7309  12.30533       13.99251 
1 1 1 -24 7   9  o 29.798  8.5097  128.464    64.579   140.333    102.687  120.699    83.061   30.453  10.928  28.702  9.8658  1.750944       14.72280 
1 1 1 -24 7   10 o 19.515  8.6693  -1.9684    82.168   0.0000     0.0000   -1.9684    82.168   ?       ?       19.515  8.6693  0.000000       8.669279 
1 1 1 -24 7   11 o 38.202  9.9084  221.558    92.623   62.713     227.062  253.265    101.447  30.063  13.775  40.606  10.285  -10.54305      17.19140 
1 1 1 -24 7   12 o 59.608  8.0883  496.898    113.963  519.999    251.574  490.934    127.832  48.031  17.119  57.960  9.4126  -9.929268      19.53605 
1 1 1 -24 7   13 o 43.902  6.8626  262.007    70.709   295.510    103.732  232.928    96.640   44.246  9.9086  38.941  10.131  5.304634       14.17113 
1 1 1 -24 7   14 o 41.373  7.3650  237.144    71.225   290.194    103.269  189.012    98.365   43.737  9.9547  34.602  10.662  9.134621       14.58683 
1 1 1 -24 7   15 o 26.308  10.299  91.056     95.538   91.056     95.538   0.0000     0.0000   26.308  10.299  ?       ?       0.000000       10.29946 
1 1 1 -24 7   16 o 22.549  9.5627  39.909     90.811   39.909     90.811   0.0000     0.0000   22.549  9.5627  ?       ?       0.000000       9.562743 
1 1 1 -24 7   17 o 50.963  9.2848  384.001    110.583  384.001    110.583  0.0000     0.0000   50.963  9.2848  ?       ?       0.000000       9.284760 
1 1 1 -24 7   18 o 25.867  8.9814  95.782     68.920   125.317    95.844   64.156     99.177   28.774  10.524  24.467  10.158  4.307505       14.62685 
1 1 1 -24 7   19 o 32.455  7.9552  152.330    62.161   217.552    99.925   111.157    79.393   36.767  10.611  27.392  9.6323  9.375732       14.33114 
1 1 1 -24 7   20 o 58.774  5.3586  451.868    75.579   544.764    117.093  385.525    98.953   62.027  7.9641  51.952  8.1153  10.07459       11.37036 
1 1 1 -24 7   21 o 14.308  6.5418  -22.0043   50.824   -216.8233  89.181   71.706     61.852   13.064  6.5481  23.117  8.4547  -10.05329      10.69393 
1 1 1 -24 7   22 o 26.360  8.3412  101.781    59.778   14.076     97.161   155.201    75.828   21.282  9.4420  31.769  9.2655  -10.48680      13.22880 
1 1 1 -24 7   23 o 22.502  8.1662  67.963     57.541   4.1969     93.196   107.246    73.149   20.431  9.1437  26.792  9.2556  -6.361422      13.01052 
1 1 1 -24 7   24 o 25.499  9.2509  94.316     73.834   84.302     91.712   112.759    124.469  25.140  10.012  27.849  11.453  -2.709284      15.21280 
1 1 1 -24 7   25 o 26.929  9.7406  109.864    81.770   203.064    103.622  -43.9561   133.123  34.640  10.984  21.411  10.058  13.22951       14.89366 
1 1 1 -24 7   26 o 48.161  8.6452  344.582    97.315   442.505    122.515  177.182    160.186  53.328  9.8304  31.289  12.943  22.03897       16.25307 
1 1 1 -24 7   27 o 53.853  6.0092  391.572    77.183   433.784    118.799  360.740    101.530  52.896  9.6100  48.936  8.8775  3.959919       13.08293 
1 1 1 -24 7   28 o 36.322  10.844  226.590    102.867  0.0000     0.0000   226.590    102.867  ?       ?       36.322  10.844  0.000000       10.84421 
1 1 1 -24 7   29 o 28.056  10.449  129.694    95.202   0.0000     0.0000   129.694    95.202   ?       ?       28.056  10.449  0.000000       10.44852 
1 1 1 -24 7   30 o 26.812  8.9831  113.188    68.826   91.278     100.376  132.629    94.553   25.130  10.304  28.089  10.422  -2.958746      14.65625 
1 1 1 -24 7   31 o 18.074  8.2499  -9.2397    80.405   149.900    200.856  -39.6082   87.742   28.666  13.067  17.421  8.1781  11.24528       15.41532 
1 1 1 -24 7   32 o 52.297  9.4881  441.922    115.965  119.476    241.673  538.370    132.175  27.647  13.155  57.231  9.8750  -29.58380      16.44885 
1 1 1 -24 7   33 o 12.510  6.0491  -67.3398   55.997   -55.5520   76.395   -81.0265   82.319   15.464  7.3685  15.199  7.3455  0.2656164      10.40438 
1 1 1 -24 7   34 o 30.970  8.4105  155.009    64.834   97.549     90.443   215.747    92.988   24.410  9.8659  34.334  10.324  -9.923565      14.28006 
1 1 1 -24 7   35 o 12.773  6.1639  -62.6959   57.436   -64.6362   77.223   -60.2937   85.925   15.025  7.2253  16.019  7.6819  -0.9939375     10.54589 
1 1 1 -24 7   36 o 22.815  8.4237  84.073     61.616   14.309     86.116   157.252    88.198   18.905  8.5939  28.609  10.143  -9.703545      13.29389 
1 1 1 -24 7   37 o 19.204  8.1632  42.526     66.434   138.380    93.049   -57.1376   94.880   26.461  10.218  16.615  7.9943  9.846136       12.97380 
1 1 1 -24 7   38 o 35.489  8.5464  213.195    72.715   128.256    101.678  302.113    104.032  25.155  10.349  39.075  10.671  -13.91984      14.86563 
1 1 1 -24 7   39 o 43.158  7.2523  289.457    73.251   180.944    101.906  405.467    105.367  28.503  10.770  47.799  9.4199  -19.29602      14.30821 
1 1 1 -24 7   40 o 28.192  8.6476  142.336    64.790   61.196     89.952   229.817    93.400   20.793  9.1618  33.406  10.405  -12.61274      13.86405 
1 1 1 -24 7   41 o 27.955  10.582  174.515    98.489   153.094    108.048  279.753    239.489  25.924  10.668  26.570  12.764  -0.6461773     16.63455 
1 1 1 -24 7   42 o 14.505  6.9988  -56.9481   74.002   -24.8459   79.766   -255.3236  198.286  16.188  7.6599  18.104  9.1557  -1.915546      11.93737 
1 1 1 -24 7   43 o 16.112  7.2572  7.9306     59.751   -101.4519  80.489   142.203    89.177   13.805  6.7974  26.115  10.025  -12.31043      12.11207 
1 1 1 -24 7   44 o 11.078  5.4906  -98.7555   55.666   9.6899     79.203   -204.6124  78.252   17.672  8.1117  11.396  5.7621  6.276245       9.949990 
1 1 1 -24 7   45 o 13.383  6.6157  -110.5370  78.869   -21.2980   289.257  -117.7043  81.975   22.322  11.265  13.505  6.6883  8.816777       13.10086 
1 1 1 -24 7   46 o 105.822 8.9231  1969.00    226.978  1598.12    450.216  2095.40    262.823  35.114  17.023  102.554 10.720  -67.44029      20.11704 
1 1 1 -24 7   47 f 29.006  11.026  212.737    107.220  509.735    323.835  176.170    113.629  26.545  13.172  26.098  10.857  0.4471054      17.06971 
1 1 1 -24 8   1  o 41.470  10.285  267.517    102.991  228.352    116.645  406.044    219.372  36.986  11.646  43.164  15.902  -6.177933      19.71045 
1 1 1 -24 8   2  o 44.019  9.8298  293.624    102.337  237.859    114.663  511.962    226.887  37.995  11.473  48.752  16.310  -10.75700      19.94126 
1 1 1 -24 8   3  o 68.696  4.7155  603.517    78.124   632.782    109.139  572.762    111.881  68.678  6.6318  64.733  7.2475  3.945663       9.823761 
1 1 1 -24 8   4  o 44.110  5.9404  257.926    61.962   251.213    87.542   264.665    87.715   41.404  8.9729  42.703  8.7592  -1.298965      12.53939 
1 1 1 -24 8   5  o 47.363  5.6077  294.112    63.194   371.029    89.683   218.262    89.059   51.999  7.3099  38.027  9.6393  13.97250       12.09753 
1 1 1 -24 8   6  o 20.294  7.9742  43.006     57.446   73.468     84.258   16.548     78.527   24.593  9.6593  20.197  8.7338  4.396603       13.02233 
1 1 1 -24 8   7  o 28.333  8.3157  115.601    60.908   115.046    87.282   116.128    85.037   28.139  10.078  28.212  9.9638  -0.7383728E-01 14.17169 
1 1 1 -24 8   8  o 24.146  8.2964  79.606     58.734   112.171    85.994   51.134     80.410   27.872  10.001  22.697  9.2550  5.175890       13.62611 
1 1 1 -24 8   9  o 20.888  8.9269  25.006     80.224   0.0000     0.0000   25.006     80.224   ?       ?       20.888  8.9269  0.000000       8.926918 
1 1 1 -24 8   10 o 22.002  9.2516  37.731     83.840   359.565    214.825  -20.0967   91.061   41.547  15.651  19.431  8.8345  22.11657       17.97266 
1 1 1 -24 8   11 o 43.138  9.7209  279.730    99.312   316.496    233.656  271.624    109.715  38.841  15.800  41.507  10.793  -2.665638      19.13467 
1 1 1 -24 8   12 o 42.073  6.9421  241.989    68.397   258.878    99.736   226.993    93.977   41.095  10.079  38.479  9.9807  2.616066       14.18452 
1 1 1 -24 8   13 o 71.909  5.1369  667.482    89.039   706.135    129.481  632.806    122.638  71.547  7.5736  67.679  7.5994  3.867584       10.72897 
1 1 1 -24 8   14 o 43.942  9.7814  292.368    101.608  292.368    101.608  0.0000     0.0000   43.942  9.7814  ?       ?       0.000000       9.781403 
1 1 1 -24 8   15 o 43.695  9.8931  291.353    102.448  291.353    102.448  0.0000     0.0000   43.695  9.8931  ?       ?       0.000000       9.893064 
1 1 1 -24 8   16 o 50.737  9.5267  385.014    112.976  385.014    112.976  0.0000     0.0000   50.737  9.5267  ?       ?       0.000000       9.526732 
1 1 1 -24 8   17 o 49.102  6.5887  326.942    76.519   285.519    107.649  369.244    108.787  42.491  10.502  49.758  9.3540  -7.267097      14.06344 
1 1 1 -24 8   18 o 42.108  6.6598  242.392    65.781   204.945    108.632  264.072    82.658   35.067  11.260  42.754  8.2669  -7.687473      13.96907 
1 1 1 -24 8   19 o 64.876  5.0453  545.873    78.796   579.342    121.256  521.409    103.669  63.904  7.9950  61.555  7.0692  2.348770       10.67215 
1 1 1 -24 8   20 o 9.8486  4.9267  -125.0991  49.337   -81.2568   87.100   -145.8121  59.868   16.311  7.7984  10.914  5.4549  5.396578       9.516935 
1 1 1 -24 8   21 o 33.902  8.0084  167.637    64.828   255.510    104.083  111.940    82.864   39.658  10.609  27.271  9.8137  12.38617       14.45210 
1 1 1 -24 8   22 o 29.311  8.2334  127.304    60.973   135.654    99.649   122.308    77.088   29.196  10.723  28.229  9.5067  0.9672680      14.33068 
1 1 1 -24 8   23 f 40.071  10.128  256.196    98.520   358.434    129.907  117.784    151.152  45.849  11.653  28.607  12.240  17.24130       16.89995 
1 1 1 -24 8   24 o 28.202  10.216  124.790    89.988   159.499    120.652  81.276     135.094  30.618  11.683  26.370  11.429  4.247561       16.34365 
1 1 1 -24 8   25 o 76.662  7.1154  818.316    130.846  881.555    167.698  719.906    209.197  76.409  9.2324  60.786  14.404  15.62356       17.10903 
1 1 1 -24 8   26 o 22.082  9.0825  53.742     78.284   0.0000     0.0000   53.742     78.284   ?       ?       22.082  9.0825  0.000000       9.082497 
1 1 1 -24 8   27 o 13.289  6.5629  -136.8741  76.971   0.0000     0.0000   -136.8741  76.971   ?       ?       13.289  6.5629  0.000000       6.562931 
1 1 1 -24 8   28 o 50.171  9.5831  396.395    112.407  0.0000     0.0000   396.395    112.407  ?       ?       50.171  9.5831  0.000000       9.583132 
1 1 1 -24 8   29 o 25.613  9.9983  100.888    89.832   -234.2879  265.263  144.308    95.473   23.286  11.614  29.025  10.521  -5.738354      15.67106 
1 1 1 -24 8   30 o 19.033  8.6340  -0.0782    86.354   -122.0951  200.098  27.847     95.727   22.239  10.904  21.089  9.3635  1.150240       14.37237 
1 1 1 -24 8   31 o 29.634  10.710  159.934    98.835   218.250    232.690  147.098    109.172  30.075  13.841  28.361  11.036  1.714220       17.70220 
1 1 1 -24 8   32 o 18.996  8.6841  0.2061     89.525   203.359    224.764  -38.1010   97.601   29.134  13.478  18.067  8.5257  11.06700       15.94781 
1 1 1 -24 8   33 o 32.052  9.0997  172.994    74.069   78.234     99.430   291.146    111.026  23.343  9.9561  39.060  11.159  -15.71688      14.95476 
1 1 1 -24 8   34 o 23.095  8.5884  84.961     64.277   94.300     86.917   73.690     95.488   23.921  9.6704  22.725  9.7263  1.195581       13.71561 
1 1 1 -24 8   35 o 15.988  7.2442  -2.0968    60.572   -57.1373   81.603   65.438     90.392   15.621  7.4897  21.856  9.4111  -6.235441      12.02764 
1 1 1 -24 8   36 o 36.833  8.4543  224.274    73.959   171.319    103.478  279.577    105.747  28.450  10.828  37.276  10.962  -8.825882      15.40792 
1 1 1 -24 8   37 f 30.616  8.5911  161.846    66.423   120.756    93.361   203.965    94.521   24.876  10.035  31.483  10.527  -6.606958      14.54361 
1 1 1 -24 8   38 o 39.397  7.8228  250.504    72.142   322.549    101.343  176.489    102.720  41.092  10.210  28.119  10.767  12.97302       14.83820 
1 1 1 -24 8   39 o 15.430  7.0766  -4.6564    60.102   -99.1860   84.722   91.110     85.275   14.266  7.0146  22.531  9.3919  -8.264554      11.72234 
1 1 1 -24 8   40 o 28.105  10.450  173.675    95.163   102.050    103.395  570.533    243.379  23.038  9.9922  33.664  14.939  -10.62592      17.97294 
1 1 1 -24 8   41 o 18.571  8.5665  17.671     89.852   -10.7385   97.443   178.998    232.205  17.873  8.4597  24.649  12.012  -6.776026      14.69162 
1 1 1 -24 8   42 o 34.208  8.6475  205.154    71.815   281.598    97.174   113.154    106.604  37.527  10.341  23.608  10.192  13.91923       14.51953 
1 1 1 -24 8   43 o 28.819  9.0735  154.774    70.806   62.405     98.857   252.075    101.462  21.022  9.4121  34.125  10.874  -13.10323      14.38189 
1 1 1 -24 8   44 o 19.832  8.1711  58.546     63.494   81.858     85.193   29.416     95.231   21.815  9.2575  19.334  8.8819  2.481522       12.82924 
1 1 1 -24 8   45 o 25.371  10.334  144.446    100.109  199.215    313.142  138.212    105.653  24.171  12.137  24.772  10.399  -0.6008205     15.98271 
1 1 1 -24 8   46 o 26.609  10.695  174.529    105.651  -96.7827   293.695  214.857    113.231  21.014  10.679  28.681  11.217  -7.666983      15.48780 
1 1 1 -24 8   47 o 19.929  9.0243  60.497     93.832   230.889    314.097  43.801     98.322   23.081  11.659  19.301  8.9235  3.780434       14.68192 
1 1 1 -24 9   1  o 30.367  8.3360  134.806    63.289   227.607    112.967  92.354     76.406   37.025  11.429  25.703  9.3975  11.32218       14.79639 
1 1 1 -24 9   2  o 23.477  7.8412  75.956     52.438   -6.1268    77.670   144.711    71.085   18.686  8.3561  31.168  8.9368  -12.48153      12.23487 
1 1 1 -24 9   3  o 53.868  5.3520  378.112    69.028   393.463    97.087   362.419    98.161   53.057  7.7719  50.433  8.3112  2.623985       11.37890 
1 1 1 -24 9   4  o 46.037  6.0075  281.642    65.507   260.421    94.472   301.294    90.911   41.611  9.5582  45.782  8.4966  -4.171795      12.78872 
1 1 1 -24 9   5  o 64.239  5.4596  537.394    84.294   450.199    116.725  632.429    121.859  55.760  8.9285  67.715  7.5449  -11.95522      11.68952 
1 1 1 -24 9   6  o 47.277  6.5886  301.504    73.527   304.121    104.859  298.972    103.128  44.799  9.9094  44.491  9.8162  0.3076096      13.94828 
1 1 1 -24 9   7  o 36.970  8.0163  194.858    69.837   120.654    95.216   281.252    102.740  28.608  10.486  42.907  10.046  -14.29915      14.52134 
1 1 1 -24 9   8  f 31.909  10.652  159.395    96.762   0.0000     0.0000   159.395    96.762   ?       ?       31.909  10.652  0.000000       10.65151 
1 1 1 -24 9   9  o 50.024  8.8365  362.279    103.335  272.483    198.959  395.449    120.924  37.329  14.785  51.061  10.118  -13.73156      17.91562 
1 1 1 -24 9   10 o 47.273  9.1005  327.646    100.598  293.206    219.634  336.790    113.167  37.838  15.346  46.867  10.238  -9.028378      18.44763 
1 1 1 -24 9   11 o 46.948  6.4637  296.667    71.679   262.579    106.509  324.887    96.908   40.773  10.650  47.341  8.7591  -6.567570      13.78889 
1 1 1 -24 9   12 o 61.808  5.4805  498.641    81.340   521.070    115.841  476.827    114.240  60.856  8.0421  57.862  8.3809  2.993607       11.61527 
1 1 1 -24 9   13 o 26.566  10.418  95.204     97.868   95.204     97.868   0.0000     0.0000   26.566  10.418  ?       ?       0.000000       10.41782 
1 1 1 -24 9   14 o 28.984  10.911  126.960    104.373  126.960    104.373  0.0000     0.0000   28.984  10.911  ?       ?       0.000000       10.91132 
1 1 1 -24 9   15 o 20.980  9.0414  25.145     83.577   25.145     83.577   0.0000     0.0000   20.980  9.0414  ?       ?       0.000000       9.041426 
1 1 1 -24 9   16 f 30.355  8.8333  137.920    68.989   137.654    95.350   138.211    99.941   29.695  10.544  29.715  10.765  -0.1945686E-01 15.06885 
1 1 1 -24 9   17 o 43.559  6.2613  256.213    64.275   401.403    101.816  160.014    82.876   52.935  8.1915  32.031  9.7724  20.90453       12.75147 
1 1 1 -24 9   18 o 30.665  7.9212  136.861    59.355   221.335    99.678   90.454     73.881   36.934  10.580  25.271  9.2407  11.66241       14.04766 
1 1 1 -24 9   19 o 24.637  8.1271  86.945     56.392   50.819     96.813   105.496    69.376   23.274  9.8722  26.667  9.0185  -3.392530      13.37137 
1 1 1 -24 9   20 o 30.856  8.2024  140.732    62.466   219.965    102.313  93.645     78.872   36.445  10.800  25.569  9.5126  10.87585       14.39208 
1 1 1 -24 9   21 o 55.591  6.4454  420.106    85.328   454.149    117.960  382.741    123.580  55.044  9.1535  48.657  10.754  6.387455       14.12193 
1 1 1 -24 9   22 o 70.797  7.4206  703.025    125.578  792.082    161.497  566.824    199.718  72.367  9.4205  52.582  14.947  19.78587       17.66824 
1 1 1 -24 9   23 o 70.318  7.3419  693.361    123.421  851.435    156.322  431.736    201.107  76.120  8.6153  43.572  15.330  32.54796       17.58482 
1 1 1 -24 9   24 o 94.690  6.8125  1234.59    155.474  1377.44    196.800  997.400    253.590  97.045  8.4418  70.230  15.313  26.81560       17.48597 
1 1 1 -24 9   25 o 16.244  7.4832  -26.2894   68.245   -109.2304  184.378  -13.1226   73.462   22.477  10.896  17.502  7.9488  4.974657       13.48689 
1 1 1 -24 9   26 o 30.035  10.278  150.047    90.125   0.0000     0.0000   150.047    90.125   ?       ?       30.035  10.278  0.000000       10.27845 
1 1 1 -24 9   27 f 57.499  8.3605  491.843    113.227  0.0000     0.0000   491.843    113.227  ?       ?       57.499  8.3605  0.000000       8.360540 
1 1 1 -24 9   28 o 19.913  8.7037  23.839     79.744   99.877     190.938  7.7733     87.765   27.405  12.585  19.649  8.8278  7.755823       15.37243 
1 1 1 -24 9   29 o 30.496  10.429  163.314    92.792   313.007    186.195  113.851    107.030  35.454  14.217  26.447  10.717  9.007372       17.80372 
1 1 1 -24 9   30 f 29.662  10.467  157.661    93.826   121.144    189.118  169.584    108.063  27.257  12.520  30.017  11.141  -2.760834      16.75924 
1 1 1 -24 9   31 o 40.565  10.526  292.351    104.496  385.454    211.903  262.435    120.117  35.816  14.857  36.016  11.860  -0.1991920     19.01050 
1 1 1 -24 9   32 o 25.733  8.8055  109.312    66.145   166.853    91.739   47.010     95.459   29.940  10.364  21.478  9.4517  8.462637       14.02665 
1 1 1 -24 9   33 o 17.820  7.7013  23.918     60.985   -47.7583   86.134   95.966     86.357   16.488  7.8474  24.047  9.6680  -7.559172      12.45201 
1 1 1 -24 9   34 o 27.646  8.7179  130.446    65.342   18.101     91.544   247.133    93.296   19.438  8.8456  36.594  10.151  -17.15547      13.46447 
1 1 1 -24 9   35 o 25.702  8.9785  116.741    68.927   95.546     93.760   141.664    101.674  23.506  9.8275  26.434  10.538  -2.927740      14.40919 
1 1 1 -24 9   36 o 38.179  8.2194  239.316    73.889   269.422    100.279  203.554    109.291  36.738  10.638  30.013  11.191  6.725052       15.44071 
1 1 1 -24 9   37 o 47.957  6.9176  350.009    78.168   392.340    107.987  303.413    113.296  46.105  9.9452  37.112  11.444  8.993439       15.16141 
1 1 1 -24 9   38 o 25.118  8.9431  117.161    68.640   187.094    94.168   37.882     100.263  29.407  10.474  19.971  9.1521  9.436306       13.90953 
1 1 1 -24 9   39 o 15.396  7.3791  -43.7741   79.052   -19.6599   83.367   -258.8380  248.965  16.629  7.8569  19.507  9.9058  -2.878040      12.64338 
1 1 1 -24 9   40 o 19.784  8.9576  42.883     92.419   18.046     100.437  180.058    236.041  19.047  8.8786  24.536  11.990  -5.488747      14.91928 
1 1 1 -24 9   41 o 22.353  9.3905  90.803     86.245   138.441    92.439   -229.3545  239.641  25.495  10.084  19.512  9.8886  5.983410       14.12357 
1 1 1 -24 9   42 o 54.422  6.1490  435.167    79.773   120.849    109.633  788.829    116.293  23.970  10.343  72.172  6.7180  -48.20161      12.33294 
1 1 1 -24 9   43 o 18.310  7.8515  39.235     62.437   101.250    84.531   -35.2168   92.620   23.094  9.4612  16.723  8.0078  6.370733       12.39510 
1 1 1 -24 9   44 o 17.594  8.3045  -7.7346    92.710   -219.5296  296.710  15.180     97.596   ?       ?       18.716  8.7337  0.000000       8.733679 
1 1 1 -24 9   45 o 13.666  6.7047  -84.3774   76.045   -448.5048  294.178  -58.3036   78.720   ?       ?       14.696  7.1227  0.000000       7.122686 
1 1 1 -24 9   46 o 16.930  8.0989  -17.3446   94.198   106.285    283.042  -32.7431   99.892   22.165  11.181  16.772  8.1023  5.393347       13.80766 
1 1 1 -24 10  1  o 76.075  4.7357  742.460    86.983   676.279    121.752  811.455    124.312  70.101  7.2633  77.530  6.6732  -7.428665      9.863424 
1 1 1 -24 10  2  o 50.850  5.4868  339.165    66.625   366.207    96.496   314.531    92.100   50.764  8.1069  46.708  8.4371  4.056480       11.70070 
1 1 1 -24 10  3  o 17.959  7.6442  15.521     58.400   -23.0100   78.507   63.259     87.385   17.876  8.1565  23.807  9.6711  -5.931829      12.65146 
1 1 1 -24 10  4  o 30.258  8.5338  134.578    65.367   118.017    90.821   152.377    94.154   28.206  10.256  31.181  10.506  -2.975420      14.68223 
1 1 1 -24 10  5  o 64.464  5.4687  542.230    84.732   533.935    118.691  550.851    121.001  61.460  8.1608  62.405  8.1887  -0.9451256     11.56085 
1 1 1 -24 10  6  o 46.271  9.3833  318.718    101.744  280.343    186.203  335.052    121.483  37.785  14.490  45.776  11.061  -7.991547      18.22929 
1 1 1 -24 10  7  o 43.055  10.443  289.670    107.980  0.0000     0.0000   289.670    107.980  ?       ?       43.055  10.443  0.000000       10.44325 
1 1 1 -24 10  8  o 39.198  9.6877  234.012    91.611   316.016    187.665  208.357    104.968  39.717  14.694  35.847  11.009  3.870132       18.36030 
1 1 1 -24 10  9  o 64.550  7.4602  575.526    114.692  219.987    218.119  711.396    134.838  34.520  14.735  71.275  7.9312  -36.75486      16.73410 
1 1 1 -24 10  10 o 40.950  7.4448  234.387    71.248   252.106    100.877  216.751    100.643  40.132  10.306  36.818  10.656  3.314365       14.82449 
1 1 1 -24 10  11 o 27.132  8.5743  107.259    63.181   178.063    97.001   55.086     83.266   33.376  10.632  22.978  9.3993  10.39838       14.19127 
1 1 1 -24 10  12 o 38.683  7.6559  211.689    69.315   255.096    104.542  177.637    92.595   40.010  10.599  33.479  10.349  6.530548       14.81411 
1 1 1 -24 10  13 o 72.221  7.6376  726.843    131.810  726.843    131.810  0.0000     0.0000   72.221  7.6376  ?       ?       0.000000       7.637642 
1 1 1 -24 10  14 o 22.374  9.4789  41.796     89.081   41.796     89.081   0.0000     0.0000   22.374  9.4789  ?       ?       0.000000       9.478910 
1 1 1 -24 10  15 o 19.250  8.1242  24.692     65.037   34.137     98.983   17.516     86.274   22.555  9.7796  20.677  9.0450  1.878420       13.32111 
1 1 1 -24 10  16 o 31.968  8.7180  153.254    69.490   163.130    98.353   143.411    98.195   31.688  10.738  30.011  10.695  1.677877       15.15564 
1 1 1 -24 10  17 o 54.764  5.6944  397.411    74.561   570.541    114.651  270.528    98.151   63.783  7.5549  41.671  9.8609  22.11217       12.42233 
1 1 1 -24 10  18 o 70.276  4.8497  638.597    82.190   643.603    124.186  634.695    109.636  67.507  7.7204  68.192  6.7131  -0.6848679     10.23091 
1 1 1 -24 10  19 o 62.706  5.1069  512.825    77.026   532.529    118.065  498.224    101.634  60.747  8.2212  59.897  7.1335  0.8505669      10.88460 
1 1 1 -24 10  20 o 47.738  6.1622  308.209    69.712   372.580    112.499  268.082    88.822   49.020  9.8008  42.175  8.9562  6.844299       13.27670 
1 1 1 -24 10  21 o 36.591  10.457  220.018    97.482   292.103    128.441  122.078    149.712  40.327  12.135  28.653  12.219  11.67369       17.22090 
1 1 1 -24 10  22 o 26.231  10.114  101.399    91.052   178.245    121.597  3.3120     137.378  31.786  11.814  23.174  10.654  8.611650       15.90870 
1 1 1 -24 10  23 o 19.817  8.8613  5.6724     87.330   141.459    117.338  -162.9413  130.754  29.185  11.417  17.958  8.8064  11.22713       14.41909 
1 1 1 -24 10  24 o 92.508  4.8606  1112.76    108.720  1278.24    161.225  974.751    147.232  95.857  6.9798  83.047  7.3836  12.80947       10.16042 
1 1 1 -24 10  25 o 35.002  10.409  206.633    94.915   0.0000     0.0000   206.633    94.915   ?       ?       35.002  10.409  0.000000       10.40908 
1 1 1 -24 10  26 o 18.745  8.2980  9.8443     74.641   0.0000     0.0000   9.8443     74.641   ?       ?       18.745  8.2980  0.000000       8.297988 
1 1 1 -24 10  27 o 22.406  9.4139  57.300     86.693   0.0000     0.0000   57.300     86.693   ?       ?       22.406  9.4139  0.000000       9.413880 
1 1 1 -24 10  28 o 30.923  10.577  170.033    95.442   13.790     207.322  212.050    107.512  25.151  12.027  33.773  11.226  -8.622684      16.45159 
1 1 1 -24 10  29 o 17.833  8.1224  -6.1398    77.415   212.045    172.755  -60.9635   86.597   30.613  13.092  16.403  7.8239  14.21013       15.25143 
1 1 1 -24 10  30 o 31.521  10.613  184.390    96.068   113.948    193.959  207.288    110.585  26.618  12.384  32.392  11.369  -5.773849      16.81177 
1 1 1 -24 10  31 o 18.656  7.8219  34.913     59.645   49.928     83.141   18.991     85.613   21.070  9.0483  19.464  8.7337  1.605545       12.57567 
1 1 1 -24 10  32 o 12.877  6.2013  -60.0856   57.400   -42.3517   76.365   -83.1179   87.028   15.774  7.4728  15.403  7.4708  0.3711367      10.56670 
1 1 1 -24 10  33 o 20.299  8.2256  56.296     63.045   27.517     84.275   92.867     95.003   19.478  8.7077  23.615  9.8845  -4.137201      13.17294 
1 1 1 -24 10  34 o 18.081  7.7858  30.393     61.872   -2.8815    82.783   72.504     93.129   17.735  8.1955  22.101  9.5344  -4.366192      12.57259 
1 1 1 -24 10  35 o 14.503  6.8287  -29.9274   61.973   19.490     86.087   -83.0871   89.287   18.815  8.5681  15.273  7.4436  3.542555       11.34990 
1 1 1 -24 10  36 o 21.324  8.2494  74.098     60.731   118.951    84.234   25.544     87.639   24.719  9.6727  19.007  8.6516  5.711164       12.97734 
1 1 1 -24 10  37 o 23.949  8.8712  105.285    68.446   -4.7899    92.407   239.085    101.880  17.846  8.3825  32.906  10.927  -15.05996      13.77199 
1 1 1 -24 10  38 o 21.944  8.6870  84.221     68.653   112.072    96.832   56.070     97.350   23.572  9.9289  20.557  9.2608  3.015406       13.57734 
1 1 1 -24 10  39 o 19.846  8.9302  46.780     90.220   -64.4827   97.299   729.083    240.947  16.110  7.8335  39.173  16.002  -23.06329      17.81693 
1 1 1 -24 10  40 o 12.036  6.0244  -146.4735  74.240   -169.7129  78.651   43.444     224.841  12.016  6.0397  22.271  11.038  -10.25475      12.58219 
1 1 1 -24 10  41 o 9.0773  4.6124  -179.0767  54.599   -131.0977  73.015   -239.9398  82.236   12.264  6.1128  11.199  5.6875  1.064818       8.349476 
1 1 1 -24 10  42 o 11.847  5.7778  -67.2464   54.039   -171.8143  80.140   19.945     73.179   12.137  6.0998  17.703  7.9971  -5.566689      10.05790 
1 1 1 -24 10  43 o 18.375  8.4996  16.727     89.370   126.039    296.729  5.8216     93.722   23.457  11.783  18.153  8.4995  5.303514       14.52836 
1 1 1 -24 10  44 f 20.259  9.1054  58.585     93.479   168.744    308.564  47.453     98.088   23.437  11.803  19.864  9.0844  3.572935       14.89452 
1 1 1 -24 10  45 o 23.484  11.866  257.373    326.633  257.373    326.633  0.0000     0.0000   23.484  11.866  ?       ?       0.000000       11.86583 
1 1 1 -24 11  1  o 16.797  6.9689  18.688     46.638   -61.7472   69.711   83.857     62.749   15.012  7.1201  24.455  8.5653  -9.442893      11.13826 
1 1 1 -24 11  2  o 81.981  4.8635  865.069    96.312   878.909    134.394  850.456    138.092  80.278  6.9687  78.504  7.3346  1.773987       10.11722 
1 1 1 -24 11  3  o 95.147  4.7056  1157.38    108.637  1127.93    152.671  1187.60    154.621  91.032  6.9647  93.571  6.8580  -2.538803      9.774446 
1 1 1 -24 11  4  o 48.776  6.4766  321.510    74.755   290.216    104.762  353.975    106.704  43.204  10.163  48.685  9.3729  -5.480595      13.82559 
1 1 1 -24 11  5  o 24.513  9.7220  74.437     86.135   -11.9938   165.028  106.799    100.981  24.761  11.488  27.400  10.627  -2.638882      15.64930 
1 1 1 -24 11  6  o 77.720  7.0981  825.613    132.379  916.291    231.084  781.319    161.507  72.125  13.705  72.726  9.3705  -0.6002579     16.60258 
1 1 1 -24 11  7  o 72.928  7.1022  727.571    124.082  779.904    219.337  702.940    150.475  65.565  14.198  69.182  9.1917  -3.616325      16.91391 
1 1 1 -24 11  8  o 18.405  8.2299  -5.7670    75.321   22.920     160.173  -13.9117   85.347   25.662  11.687  19.001  8.6051  6.660809       14.51290 
1 1 1 -24 11  9  o 53.800  6.1816  387.104    79.229   327.046    114.089  443.046    110.109  45.571  10.530  55.523  8.4387  -9.952587      13.49383 
1 1 1 -24 11  10 o 89.989  5.2857  1052.23    114.907  1089.43    150.989  1001.02    177.130  89.364  7.0199  82.891  8.9489  6.472725       11.37370 
1 1 1 -24 11  11 o 84.838  5.4557  940.129    111.710  1022.97    178.183  886.481    143.389  83.814  8.8977  79.944  7.4790  3.870476       11.62344 
1 1 1 -24 11  12 o 29.792  10.986  140.141    104.745  140.141    104.745  0.0000     0.0000   29.792  10.986  ?       ?       0.000000       10.98629 
1 1 1 -24 11  13 o 23.740  9.7866  61.969     91.145   61.969     91.145   0.0000     0.0000   23.740  9.7866  ?       ?       0.000000       9.786595 
1 1 1 -24 11  14 o 37.701  10.706  232.032    102.508  232.032    102.508  0.0000     0.0000   37.701  10.706  ?       ?       0.000000       10.70562 
1 1 1 -24 11  15 o 21.815  8.5301  56.651     65.470   78.546     99.363   39.853     87.035   25.130  10.272  21.982  9.3437  3.148470       13.88613 
1 1 1 -24 11  16 o 58.023  5.6416  445.686    78.422   416.830    132.470  461.255    97.305   50.500  11.112  57.689  7.1015  -7.188717      13.18776 
1 1 1 -24 11  17 o 66.882  4.9588  580.829    79.899   642.660    120.872  532.846    106.480  67.660  7.4881  61.847  7.2321  5.812634       10.41033 
1 1 1 -24 11  18 o 45.234  6.2733  278.067    67.000   351.354    106.010  229.322    86.457   47.937  9.4500  38.552  9.3407  9.384956       13.28729 
1 1 1 -24 11  19 o 28.002  8.1977  116.580    59.259   220.415    96.029   52.724     75.307   36.749  10.336  21.959  8.9556  14.79032       13.67616 
1 1 1 -24 11  20 o 27.479  10.044  116.944    87.282   195.195    112.452  -1.6359    138.428  33.394  11.479  23.073  10.640  10.32036       15.65176 
1 1 1 -24 11  21 o 36.998  10.166  223.003    94.074   244.019    121.963  192.133    147.816  36.679  11.945  32.085  12.732  4.594757       17.45841 
1 1 1 -24 11  22 o 13.802  6.7542  -113.8393  75.722   10.685     99.873   -282.2050  116.131  20.999  9.4268  14.481  7.2861  6.517921       11.91435 
1 1 1 -24 11  23 o 25.641  8.4428  98.682     60.868   119.011    103.851  88.044     75.124   27.423  10.738  24.625  9.2596  2.797661       14.17875 
1 1 1 -24 11  24 o 18.534  8.3594  -3.0302    79.591   0.0000     0.0000   -3.0302    79.591   ?       ?       18.534  8.3594  0.000000       8.359352 
1 1 1 -24 11  25 o 21.794  9.1649  50.112     82.289   0.0000     0.0000   50.112     82.289   ?       ?       21.794  9.1649  0.000000       9.164900 
1 1 1 -24 11  26 o 20.222  8.7099  32.310     77.473   0.0000     0.0000   32.310     77.473   ?       ?       20.222  8.7099  0.000000       8.709862 
1 1 1 -24 11  27 o 26.047  9.5010  109.461    78.034   -41.3187   202.003  135.908    84.601   23.760  11.489  28.302  9.9437  -4.541935      15.19459 
1 1 1 -24 11  28 o 26.430  10.028  117.788    88.583   102.921    171.784  123.174    103.389  26.380  12.048  26.718  10.634  -0.3380280     16.06987 
1 1 1 -24 11  29 o 20.059  8.7339  34.063     79.607   97.333     179.368  18.543     88.836   25.915  12.006  19.800  8.8896  6.114700       14.93916 
1 1 1 -24 11  30 o 28.647  8.4940  134.084    63.271   144.013    88.709   123.803    90.270   28.062  10.146  26.350  10.093  1.711689       14.31130 
1 1 1 -24 11  31 o 18.956  7.9579  38.671     61.870   36.025     83.626   41.870     91.960   20.067  8.8383  20.809  9.2111  -0.7415447     12.76556 
1 1 1 -24 11  32 o 15.289  7.0941  -19.5636   62.969   33.342     86.737   -78.5166   91.560   19.903  8.8703  15.827  7.6736  4.075488       11.72884 
1 1 1 -24 11  33 f 25.741  8.8823  116.513    67.358   72.851     90.101   171.831    101.417  22.037  9.4403  28.591  10.757  -6.553949      14.31215 
1 1 1 -24 11  34 o 21.650  8.5046  75.735     65.327   109.981    87.904   33.486     97.634   24.212  9.7472  20.017  9.1191  4.194683       13.34786 
1 1 1 -24 11  35 o 17.544  7.6391  27.643     60.908   23.167     82.458   33.018     90.358   18.601  8.4378  19.470  8.8323  -0.8689957     12.21503 
1 1 1 -24 11  36 o 29.597  8.7230  157.749    66.897   174.457    94.809   141.182    94.405   28.205  10.442  25.693  10.182  2.511395       14.58452 
1 1 1 -24 11  37 o 18.198  7.8997  36.667     64.735   -6.3053    90.084   82.552     93.088   17.530  8.2475  21.800  9.4680  -4.269808      12.55648 
1 1 1 -24 11  38 o 25.606  10.291  146.279    97.804   87.629     104.612  553.372    275.610  22.068  9.7938  30.158  14.260  -8.089569      17.29952 
1 1 1 -24 11  39 o 18.430  8.4535  22.081     85.797   7.3823     91.895   121.939    239.519  18.115  8.4604  23.367  11.547  -5.251991      14.31469 
1 1 1 -24 11  40 o 13.801  6.4885  -24.9473   55.585   -87.9739   77.550   41.640     79.711   13.805  6.7724  19.162  8.5243  -5.356462      10.88712 
1 1 1 -24 11  41 o 12.262  5.9820  -69.7671   58.070   -125.8695  77.381   2.5579     87.860   12.821  6.3748  17.741  8.2812  -4.919652      10.45065 
1 1 1 -24 11  42 o 28.070  10.582  181.327    98.247   434.363    237.091  128.869    107.951  29.406  13.685  24.130  10.335  5.276289       17.14920 
1 1 1 -24 11  43 o 18.170  8.3701  20.351     85.361   -82.3462   223.714  37.851     92.348   20.229  10.170  19.253  8.8084  0.9766102      13.45435 
1 1 1 -24 11  44 o 18.491  9.3525  -177.1693  207.283  -177.1693  207.283  0.0000     0.0000   18.491  9.3525  ?       ?       0.000000       9.352473 
1 1 1 -24 11  45 o 19.064  8.6986  49.087     89.289   312.915    233.026  3.6855     96.667   24.623  12.006  17.522  8.3319  7.101320       14.61410 
1 1 1 -24 12  1  o 59.243  5.3711  459.879    76.369   482.427    106.278  435.805    109.812  58.565  7.6628  54.767  8.5424  3.798195       11.47564 
1 1 1 -24 12  2  o 15.823  7.0522  -7.2294    54.828   -25.8823   73.725   15.852     82.011   17.103  7.8415  20.202  8.8284  -3.098997      11.80802 
1 1 1 -24 12  3  o 61.505  7.6442  530.367    111.618  631.655    199.206  484.015    134.760  58.153  14.233  55.826  10.329  2.327053       17.58614 
1 1 1 -24 12  4  o 59.093  7.9713  495.113    111.379  427.291    200.151  525.535    134.051  44.750  15.317  58.979  9.7049  -14.22857      18.13302 
1 1 1 -24 12  5  o 49.739  8.9287  364.574    103.798  429.157    184.552  334.693    125.535  46.252  14.658  44.895  11.479  1.357014       18.61823 
1 1 1 -24 12  6  o 46.753  9.5839  331.537    105.070  459.775    193.290  277.752    125.180  47.446  14.998  40.130  11.958  7.316113       19.18154 
1 1 1 -24 12  7  f 44.123  7.1442  270.264    73.871   317.474    103.389  221.027    105.584  45.664  9.6341  36.608  10.999  9.056026       14.62208 
1 1 1 -24 12  8  o 54.991  5.9826  403.011    78.539   389.484    112.692  415.787    109.518  50.862  9.4802  53.316  8.7707  -2.454384      12.91509 
1 1 1 -24 12  9  o 63.517  5.6162  531.338    85.664   475.164    120.368  588.992    121.942  56.720  9.0503  64.468  7.9649  -7.748489      12.05600 
1 1 1 -24 12  10 o 16.266  7.3121  -11.4643   60.317   -69.2233   88.220   39.236     82.654   16.874  8.0049  21.693  9.1572  -4.819664      12.16276 
1 1 1 -24 12  11 o 60.339  8.3499  524.785    118.972  524.785    118.972  0.0000     0.0000   60.339  8.3499  ?       ?       0.000000       8.349900 
1 1 1 -24 12  12 o 35.201  11.352  210.550    110.323  210.550    110.323  0.0000     0.0000   35.201  11.352  ?       ?       0.000000       11.35221 
1 1 1 -24 12  13 o 79.414  7.7007  888.205    146.521  888.205    146.521  0.0000     0.0000   79.414  7.7007  ?       ?       0.000000       7.700664 
1 1 1 -24 12  14 o 67.314  5.5521  597.638    89.874   580.415    129.102  613.833    125.190  62.911  8.6894  65.487  8.0480  -2.575676      11.84384 
1 1 1 -24 12  15 o 63.109  5.2641  521.900    79.874   706.349    125.577  396.577    103.511  71.045  7.3930  52.049  8.4887  18.99599       11.25674 
1 1 1 -24 12  16 o 61.949  5.2594  503.365    78.310   566.991    122.455  459.341    101.860  62.541  8.2725  57.002  7.5504  5.539295       11.20015 
1 1 1 -24 12  17 o 26.940  8.0935  107.300    57.168   31.679     96.791   147.813    70.846   21.998  9.6027  31.026  8.9293  -9.027866      13.11276 
1 1 1 -24 12  18 o 33.934  7.6426  167.024    61.415   161.893    97.484   170.401    79.082   31.171  10.690  32.909  9.4232  -1.738455      14.25006 
1 1 1 -24 12  19 o 24.157  9.5768  77.561     83.547   97.292     108.908  49.343     130.240  26.291  10.751  24.580  10.917  1.711372       15.32243 
1 1 1 -24 12  20 f 27.191  9.9852  115.158    86.397   155.420    111.762  55.367     136.196  30.154  11.303  25.008  11.133  5.146362       15.86470 
1 1 1 -24 12  21 o 27.852  10.045  123.839    86.871   123.136    112.128  124.895    137.396  27.807  11.072  28.179  11.846  -0.3722076     16.21479 
1 1 1 -24 12  22 o 45.571  6.4266  286.723    69.088   420.679    110.772  201.442    88.384   52.515  9.0181  35.044  9.9372  17.47163       13.41917 
1 1 1 -24 12  23 o 60.901  6.3439  509.687    92.368   585.721    164.555  474.710    111.610  57.164  12.233  56.417  8.4103  0.7470512      14.84557 
1 1 1 -24 12  24 o 33.981  9.9465  192.977    87.244   0.0000     0.0000   192.977    87.244   ?       ?       33.981  9.9465  0.000000       9.946476 
1 1 1 -24 12  25 o 18.953  8.3314  16.713     73.987   0.0000     0.0000   16.713     73.987   ?       ?       18.953  8.3314  0.000000       8.331434 
1 1 1 -24 12  26 o 32.652  9.0809  173.132    74.560   462.305    129.190  28.709     91.300   52.154  10.571  20.768  9.1864  31.38600       14.00470 
1 1 1 -24 12  27 o 22.331  9.1753  66.265     79.784   -14.0969   165.320  90.664     91.094   22.709  10.826  24.354  9.8809  -1.644800      14.65710 
1 1 1 -24 12  28 o 25.717  10.035  112.795    90.467   175.673    184.750  92.962     103.758  28.366  12.770  24.466  10.290  3.900759       16.40008 
1 1 1 -24 12  29 o 16.434  7.2629  8.1245     56.950   3.1034     80.888   13.060     80.195   18.281  8.3174  18.734  8.4257  -0.4533653     11.83939 
1 1 1 -24 12  30 o 36.277  7.7179  204.114    65.847   116.701    92.747   292.954    93.502   25.442  10.089  41.337  9.5188  -15.89505      13.87068 
1 1 1 -24 12  31 o 21.637  8.4610  71.801     64.416   166.812    91.080   -23.2835   91.115   29.201  10.312  17.624  8.2924  11.57706       13.23252 
1 1 1 -24 12  32 o 20.515  8.3592  60.384     65.537   111.909    90.564   3.7370     94.959   24.555  9.8907  18.780  8.7134  5.774427       13.18136 
1 1 1 -24 12  33 o 24.803  8.9265  110.516    68.559   181.224    94.985   33.612     99.059   29.385  10.514  20.053  9.1546  9.332830       13.94106 
1 1 1 -24 12  34 o 19.568  8.1275  53.553     63.529   11.378     85.782   104.783    94.544   18.210  8.3893  23.451  9.8407  -5.240755      12.93135 
1 1 1 -24 12  35 o 17.380  7.6286  26.209     61.832   -38.0192   83.175   105.549    92.443   15.937  7.6200  23.279  9.7477  -7.342196      12.37264 
1 1 1 -24 12  36 o 13.697  6.4712  -29.3682   56.546   -0.1531    78.805   -60.3731   81.184   17.029  7.9133  14.956  7.2448  2.072902       10.72877 
1 1 1 -24 12  37 o 16.359  7.7839  -25.8684   84.618   -37.5612   89.302   76.895     264.741  16.289  7.8168  22.753  11.387  -6.463528      13.81141 
1 1 1 -24 12  38 o 19.078  8.6886  34.604     88.550   22.247     93.765   136.516    269.277  18.754  8.6860  23.420  11.684  -4.665968      14.55904 
1 1 1 -24 12  39 o 18.822  8.0105  47.131     64.114   69.218     86.073   19.601     96.094   20.830  9.0752  18.767  8.7268  2.062681       12.59031 
1 1 1 -24 12  40 f 11.088  5.4660  -82.8942   52.562   -121.3475  74.039   -43.8224   74.632   12.568  6.2466  14.928  7.1588  -2.360199      9.500965 
1 1 1 -24 12  41 o 19.836  8.1959  60.651     64.122   68.509     85.659   50.637     96.706   20.766  9.0503  20.102  9.1260  0.6641827      12.85267 
1 1 1 -24 12  42 o 14.829  7.1776  -55.6174   79.302   -56.7462   216.151  -55.4418   85.246   20.365  10.206  15.318  7.4212  5.047120       12.61881 
1 1 1 -24 12  43 o 13.223  6.5236  -94.4066   75.357   -225.2617  213.190  -75.7230   80.557   18.178  9.2245  14.209  6.9563  3.969171       11.55346 
1 1 1 -24 12  44 o 24.981  10.182  156.150    97.288   243.578    244.136  139.645    106.075  23.378  11.571  23.543  10.166  -0.1654072     15.40245 
1 1 1 -24 13  1  o 57.188  5.6640  433.161    77.560   434.077    109.897  432.252    109.479  54.475  8.5997  54.377  8.5823  0.9806824E-01  12.14951 
1 1 1 -24 13  2  o 21.396  9.0714  36.726     81.688   -113.2194  155.775  93.599     95.937   21.156  10.195  26.031  10.281  -4.874525      14.47857 
1 1 1 -24 13  3  o 18.283  8.2712  -12.2331   78.616   36.494     146.003  -32.1290   93.295   25.171  11.340  18.805  8.6935  6.366671       14.28903 
1 1 1 -24 13  4  o 46.360  9.4366  326.248    102.541  309.419    188.740  333.295    122.139  38.247  14.607  44.874  11.241  -6.626373      18.43212 
1 1 1 -24 13  5  o 19.094  8.6011  -6.8578    83.955   -146.1621  156.215  49.719     99.555   20.456  9.9420  23.382  9.9673  -2.926294      14.07802 
1 1 1 -24 13  6  o 30.156  8.5052  135.613    64.928   150.854    86.801   116.252    97.829   30.859  10.078  27.782  10.539  3.076698       14.58232 
1 1 1 -24 13  7  o 39.415  7.8980  223.587    72.903   181.693    101.995  267.348    104.244  33.104  10.930  40.778  10.479  -7.674145      15.14207 
1 1 1 -24 13  8  o 26.950  8.8108  107.985    66.334   162.303    96.908   60.097     90.992   31.563  10.659  23.522  9.7446  8.041224       14.44194 
1 1 1 -24 13  9  o 28.434  8.9166  122.085    68.455   147.052    100.342  100.349    93.625   30.163  10.805  26.453  10.240  3.709999       14.88652 
1 1 1 -24 13  10 o 63.964  7.3329  570.745    111.754  455.514    122.544  1140.05    272.381  54.718  9.5788  76.597  15.192  -21.87834      17.95972 
1 1 1 -24 13  11 o 24.507  10.191  69.679     100.049  69.679     100.049  0.0000     0.0000   24.507  10.191  ?       ?       0.000000       10.19082 
1 1 1 -24 13  12 o 76.726  7.6686  831.260    140.852  831.260    140.852  0.0000     0.0000   76.726  7.6686  ?       ?       0.000000       7.668550 
1 1 1 -24 13  13 o 54.197  6.3383  398.698    81.777   348.317    120.090  442.261    111.668  46.036  10.916  54.728  8.7004  -8.691792      13.95943 
1 1 1 -24 13  14 f 22.421  8.3981  66.482     61.677   184.575    103.556  1.5611     76.781   32.978  11.019  18.734  8.3477  14.24462       13.82404 
1 1 1 -24 13  15 o 56.312  5.9476  425.735    80.035   515.216    123.134  360.274    105.317  58.749  8.9182  48.643  9.2614  10.10662       12.85716 
1 1 1 -24 13  16 o 34.886  7.6848  176.723    63.294   127.867    102.869  206.486    80.291   28.321  10.792  36.612  9.0820  -8.290829      14.10486 
1 1 1 -24 13  17 o 14.337  6.5581  -20.6336   51.149   -83.7949   90.739   8.7829     61.925   16.456  7.8920  17.600  7.6820  -1.144491      11.01348 
1 1 1 -24 13  18 o 29.294  10.005  138.639    85.396   113.875    111.007  174.542    133.659  27.292  10.965  31.113  12.182  -3.820620      16.39015 
1 1 1 -24 13  19 o 17.184  7.9780  -33.0941   79.793   88.260     104.186  -205.2583  124.095  25.435  10.472  16.488  8.1767  8.947100       13.28591 
1 1 1 -24 13  20 o 12.404  6.1725  -153.6059  73.196   25.603     101.321  -349.2234  105.858  21.714  9.6374  12.565  6.3880  9.148896       11.56225 
1 1 1 -24 13  21 o 107.399 4.6012  1490.85    119.905  1762.87    175.307  1251.73    164.363  113.482 6.3927  94.064  7.2575  19.41748       9.671467 
1 1 1 -24 13  22 o 43.561  9.3703  299.590    96.101   0.0000     0.0000   299.590    96.101   ?       ?       43.561  9.3703  0.000000       9.370313 
1 1 1 -24 13  23 o 43.658  9.3544  302.646    96.111   0.0000     0.0000   302.646    96.111   ?       ?       43.658  9.3544  0.000000       9.354423 
1 1 1 -24 13  24 o 29.607  9.9937  149.578    85.189   0.0000     0.0000   149.578    85.189   ?       ?       29.607  9.9937  0.000000       9.993710 
1 1 1 -24 13  25 o 46.746  8.1462  330.936    89.040   375.577    220.951  322.280    97.290   35.808  15.036  44.836  9.2499  -9.027748      17.65331 
1 1 1 -24 13  26 o 32.181  10.159  183.993    88.706   66.230     192.020  215.943    100.018  25.453  11.995  34.153  10.788  -8.699078      16.13246 
1 1 1 -24 13  27 o 35.183  9.9441  217.533    88.657   389.385    200.758  175.899    98.814   36.258  14.683  30.397  10.740  5.860609       18.19206 
1 1 1 -24 13  28 o 26.609  8.5489  116.791    62.610   38.890     88.799   193.804    88.291   20.607  9.0901  32.548  10.113  -11.94073      13.59813 
1 1 1 -24 13  29 o 23.121  8.2891  85.646     59.064   46.045     85.369   122.007    81.804   20.652  9.0168  26.040  9.6878  -5.387606      13.23464 
1 1 1 -24 13  30 o 16.816  7.3707  16.247     57.541   110.100    82.464   -72.8073   80.328   24.770  9.6043  14.929  7.2256  9.840960       12.01882 
1 1 1 -24 13  31 o 19.226  7.9721  47.001     60.978   103.970    84.284   -15.5686   88.330   24.002  9.5861  17.537  8.2237  6.465343       12.63025 
1 1 1 -24 13  32 o 17.851  7.6790  31.545     60.062   81.541     82.471   -24.9226   87.647   22.154  9.2357  16.977  8.0321  5.176805       12.23980 
1 1 1 -24 13  33 o 17.117  7.6122  18.994     63.510   -11.6060   85.987   55.726     94.209   17.223  8.0885  20.646  9.2200  -3.423559      12.26504 
1 1 1 -24 13  34 o 17.018  7.5795  19.571     63.210   -16.2611   85.036   63.819     94.496   16.846  7.9520  20.855  9.2792  -4.008728      12.22037 
1 1 1 -24 13  35 o 16.556  7.4388  14.317     62.332   -69.3865   83.970   117.048    93.026   14.890  7.2486  23.764  9.8496  -8.874510      12.22940 
1 1 1 -24 13  36 o 17.741  8.2836  5.5413     88.014   -9.1964    93.144   128.369    268.900  17.466  8.2684  23.226  11.601  -5.759825      14.24628 
1 1 1 -24 13  37 f 19.281  8.7157  41.421     87.082   69.746     91.868   -209.3587  273.356  20.851  9.2192  ?       ?       0.000000       9.219246 
1 1 1 -24 13  38 f 13.643  6.5138  -38.9939   60.333   -44.8849   81.051   -31.6729   90.353   15.375  7.3955  16.506  7.9051  -1.130890      10.82520 
1 1 1 -24 13  39 o 21.031  8.5542  75.258     68.474   72.791     94.138   78.030     99.783   21.116  9.3348  21.449  9.5397  -0.3324738     13.34711 
1 1 1 -24 13  40 o 22.640  8.6151  93.818     65.501   140.514    93.149   48.144     92.124   25.237  10.078  19.798  8.9553  5.439323       13.48215 
1 1 1 -24 13  41 o 21.589  9.4781  85.415     95.494   3.1366     212.285  106.288    106.924  21.034  10.475  22.628  9.9786  -1.593771      14.46691 
1 1 1 -24 13  42 o 20.232  9.0251  65.380     90.004   74.722     234.624  63.768     97.461   21.801  10.881  20.274  9.1872  1.527277       14.24105 
1 1 1 -24 13  43 o 21.640  9.4003  98.312     91.794   171.635    223.125  83.373     100.712  22.552  11.144  20.831  9.3984  1.721472       14.57822 
1 1 1 -24 14  1  f 40.050  10.125  256.204    98.446   -37.2692   203.961  345.341    112.406  25.300  12.051  46.695  10.206  -21.39524      15.79192 
1 1 1 -24 14  2  o 35.156  10.285  200.736    93.304   -80.7988   172.643  316.896    110.894  22.826  10.931  44.386  10.467  -21.55978      15.13411 
1 1 1 -24 14  3  o 33.012  10.360  177.647    92.398   88.318     166.713  217.253    111.007  27.751  12.337  35.532  11.380  -7.781300      16.78422 
1 1 1 -24 14  4  o 30.490  8.4044  138.919    64.177   154.122    86.889   120.669    95.201   31.024  10.081  27.962  10.441  3.062180       14.51389 
1 1 1 -24 14  5  o 21.543  8.2492  57.569     60.291   73.566     79.865   36.372     91.933   23.874  9.3954  22.023  9.4867  1.851582       13.35185 
1 1 1 -24 14  6  o 30.393  8.5808  139.054    66.053   197.803    88.264   64.273     99.582   35.250  9.9077  24.124  10.110  11.12514       14.15550 
1 1 1 -24 14  7  o 42.638  7.0593  253.983    70.478   288.868    96.805   214.636    102.809  43.350  9.4684  35.809  10.875  7.541103       14.41948 
1 1 1 -24 14  8  o 18.321  7.8647  16.695     62.768   17.522     83.270   15.606     95.518   20.259  8.8735  21.120  9.3663  -0.8607273     12.90218 
1 1 1 -24 14  9  o 42.702  7.2053  256.385    71.998   350.365    102.622  165.288    101.036  48.212  9.1063  31.484  10.878  16.72794       14.18624 
1 1 1 -24 14  10 o 43.559  10.325  304.738    107.467  304.738    107.467  0.0000     0.0000   43.559  10.325  ?       ?       0.000000       10.32541 
1 1 1 -24 14  11 o 76.400  7.5494  823.731    138.118  823.731    138.118  0.0000     0.0000   76.400  7.5494  ?       ?       0.000000       7.549400 
1 1 1 -24 14  12 o 69.123  5.8135  637.449    96.600   572.686    127.931  723.357    147.342  62.200  8.7159  69.668  8.9211  -7.467815      12.47210 
1 1 1 -24 14  13 o 50.267  6.7599  349.593    80.359   288.674    113.214  411.448    114.080  41.319  11.069  51.811  9.4217  -10.49148      14.53615 
1 1 1 -24 14  14 o 71.891  5.2401  678.730    90.777   704.078    137.451  659.121    120.893  69.427  8.3254  68.343  7.4089  1.083664       11.14467 
1 1 1 -24 14  15 o 15.367  6.9171  -10.7486   54.184   35.469     100.158  -29.8713   64.426   22.287  9.7477  15.615  7.2209  6.672221       12.13089 
1 1 1 -24 14  16 o 39.869  7.3824  227.466    68.787   304.029    109.719  177.886    88.294   42.859  10.608  32.894  10.096  9.965263       14.64411 
1 1 1 -24 14  17 o 40.179  10.707  271.599    106.276  231.834    125.492  372.441    199.842  35.202  12.125  39.456  15.040  -4.253510      19.31894 
1 1 1 -24 14  18 o 29.031  9.9070  137.102    83.726   18.532     109.296  305.508    130.256  21.874  9.8372  40.497  12.228  -18.62334      15.69394 
1 1 1 -24 14  19 o 38.260  10.523  247.446    100.743  466.000    128.380  -102.8529  162.531  53.687  10.229  21.230  10.276  32.45686       14.49882 
1 1 1 -24 14  20 o 88.992  5.9010  1069.48    126.699  1233.37    309.735  1036.54    138.847  69.591  18.153  86.402  6.6746  -16.81105      19.34131 
1 1 1 -24 14  21 o 29.323  9.4905  140.526    77.053   79.131     189.000  152.765    84.385   26.744  12.367  30.177  9.9411  -3.432041      15.86752 
1 1 1 -24 14  22 o 16.898  7.6253  -5.9088    66.329   0.0000     0.0000   -5.9088    66.329   ?       ?       16.898  7.6253  0.000000       7.625290 
1 1 1 -24 14  23 o 17.954  7.9994  6.4670     70.486   0.0000     0.0000   6.4670     70.486   ?       ?       17.954  7.9994  0.000000       7.999357 
1 1 1 -24 14  24 o 41.175  9.0680  271.879    88.147   639.006    226.354  206.252    95.702   47.916  16.290  33.847  10.531  14.06965       19.39747 
1 1 1 -24 14  25 o 22.816  9.3360  73.655     82.183   37.973     196.794  81.192     90.447   24.720  11.792  23.547  9.7321  1.172764       15.28940 
1 1 1 -24 14  26 o 18.792  8.4181  14.455     79.191   219.537    194.166  -26.4660   86.733   29.439  13.185  17.488  8.1842  11.95170       15.51858 
1 1 1 -24 14  27 o 19.432  7.8978  46.642     58.317   67.292     84.772   28.090     80.350   22.068  9.2923  19.475  8.6161  2.592226       12.67212 
1 1 1 -24 14  28 o 28.263  8.4142  132.909    61.995   77.937     89.205   184.265    86.220   22.649  9.5344  31.397  10.026  -8.748163      13.83593 
1 1 1 -24 14  29 o 13.530  6.3450  -28.8295   52.580   -51.4618   80.416   -11.9282   69.492   15.627  7.4774  16.253  7.5100  -0.6254902     10.59772 
1 1 1 -24 14  30 o 15.503  7.0254  -1.2316    56.995   93.367     90.348   -63.7607   73.454   23.163  9.6624  14.418  6.9610  8.744528       11.90869 
1 1 1 -24 14  31 o 27.656  8.5952  134.900    63.770   91.282     97.870   167.081    84.064   22.792  9.8033  28.967  9.9268  -6.174650      13.95156 
1 1 1 -24 14  32 o 26.634  8.7904  129.853    65.969   78.921     95.010   177.266    91.669   21.813  9.5181  28.796  10.326  -6.983122      14.04373 
1 1 1 -24 14  33 o 15.714  7.1505  2.8104     59.809   36.826     82.173   -35.5099   87.217   19.013  8.5420  16.263  7.7832  2.749701       11.55607 
1 1 1 -24 14  34 o 17.618  7.7233  30.888     63.200   29.485     85.294   32.596     94.111   18.669  8.5121  19.178  8.8174  -0.5084248     12.25576 
1 1 1 -24 14  35 o 18.018  8.3503  15.001     86.850   25.832     91.732   -78.6927   269.795  18.712  8.6399  20.983  10.619  -2.271664      13.68981 
1 1 1 -24 14  36 o 21.241  9.5177  76.916     101.304  24.277     108.689  425.226    279.587  19.272  9.0645  26.866  13.111  -7.594196      15.93954 
1 1 1 -24 14  37 o 20.675  9.3240  65.202     98.999   68.053     104.676  41.036     304.763  20.898  9.4900  22.277  11.275  -1.379021      14.73710 
1 1 1 -24 14  38 o 21.888  8.6271  86.420     67.434   179.176    90.784   -27.7458   100.718  28.373  10.263  17.249  8.2836  11.12381       13.18916 
1 1 1 -24 14  39 o 17.128  7.6201  23.588     63.710   56.063     85.316   -17.3512   95.791   19.942  8.8477  17.283  8.2395  2.659447       12.09011 
1 1 1 -24 14  40 o 16.492  7.7793  -11.6333   81.115   -265.2644  217.034  29.547     87.452   18.087  9.1910  18.591  8.5299  -0.5038853     12.53928 
1 1 1 -24 14  41 o 23.603  9.9821  127.982    98.511   226.075    220.533  103.530    110.106  24.096  11.734  22.109  9.9135  1.987232       15.36123 
1 1 1 -24 14  42 o 22.193  9.5667  108.936    93.613   210.698    240.495  90.764     101.629  22.933  11.375  21.152  9.5014  1.781830       14.82100 
1 1 1 -24 15  1  o 46.106  9.2442  324.544    99.818   17.314     211.832  412.231    113.169  26.694  12.585  52.035  9.3050  -25.34096      15.65170 
1 1 1 -24 15  2  o 20.821  8.8995  32.467     79.754   211.206    153.432  -33.7054   93.357   33.224  13.039  18.598  8.6325  14.62596       15.63784 
1 1 1 -24 15  3  o 28.838  8.7781  126.763    66.925   163.368    88.208   77.103     102.739  31.702  10.143  24.924  10.342  6.777811       14.48622 
1 1 1 -24 15  4  o 15.718  7.1428  -17.0016   59.426   -51.4920   79.299   27.180     89.750   16.443  7.7367  21.245  9.2611  -4.801556      12.06751 
1 1 1 -24 15  5  o 14.595  6.7731  -32.4520   57.426   -7.8766    78.680   -60.4684   84.008   18.391  8.3015  16.606  7.8584  1.785563       11.43110 
1 1 1 -24 15  6  o 41.270  7.5292  243.391    72.617   267.511    98.122   214.183    107.975  41.011  9.9598  35.235  11.217  5.775944       15.00058 
1 1 1 -24 15  7  o 28.143  8.7082  120.284    65.539   84.128     89.951   161.201    95.689   24.915  9.9182  31.175  10.591  -6.259731      14.51022 
1 1 1 -24 15  8  o 30.413  8.6773  140.969    67.180   182.244    91.891   93.578     98.464   33.269  10.314  25.818  10.343  7.450562       14.60719 
1 1 1 -24 15  9  o 19.778  8.7791  9.4874     84.099   9.4874     84.099   0.0000     0.0000   19.778  8.7791  ?       ?       0.000000       8.779106 
1 1 1 -24 15  10 o 53.618  8.9809  432.781    112.708  432.781    112.708  0.0000     0.0000   53.618  8.9809  ?       ?       0.000000       8.980853 
1 1 1 -24 15  11 o 102.593 7.2376  1472.73    179.011  1472.73    179.011  0.0000     0.0000   102.593 7.2376  ?       ?       0.000000       7.237584 
1 1 1 -24 15  12 o 46.957  7.2237  311.609    79.667   266.348    112.174  357.672    113.165  39.258  11.217  47.246  10.172  -7.987732      15.14239 
1 1 1 -24 15  13 o 74.832  5.4515  741.151    98.304   679.874    161.918  776.923    123.715  64.746  10.679  74.813  6.8928  -10.06730      12.71034 
1 1 1 -24 15  14 o 21.753  8.2993  61.514     60.886   -125.5755  112.523  138.970    72.400   17.260  8.4000  29.746  9.1442  -12.48613      12.41678 
1 1 1 -24 15  15 o 15.383  7.0375  -20.1930   58.933   23.979     100.482  -43.3540   72.761   21.600  9.5916  15.936  7.4703  5.663399       12.15749 
1 1 1 -24 15  16 o 24.187  10.131  72.386     99.917   137.820    116.973  -104.1935  192.157  28.631  11.338  22.768  11.056  5.862997       15.83622 
1 1 1 -24 15  17 o 30.680  10.820  163.215    100.255  148.631    115.715  207.118    200.766  29.249  11.367  31.495  13.787  -2.246067      17.86866 
1 1 1 -24 15  18 o 82.818  7.6355  989.074    151.708  978.553    182.286  1012.78    273.644  78.658  9.7607  64.661  17.158  13.99667       19.73964 
1 1 1 -24 15  19 o 44.520  8.1501  296.057    84.797   513.642    268.754  272.001    89.362   39.857  16.649  41.649  9.0973  -1.792740      18.97211 
1 1 1 -24 15  20 o 19.557  8.3709  30.001     70.740   -134.2233  232.850  46.699     74.249   23.387  11.524  20.959  8.7525  2.428194       14.47136 
1 1 1 -24 15  21 o 29.801  9.7484  149.895    81.199   0.0000     0.0000   149.895    81.199   ?       ?       29.801  9.7484  0.000000       9.748432 
1 1 1 -24 15  22 o 18.205  8.1823  3.8859     75.488   0.0000     0.0000   3.8859     75.488   ?       ?       18.205  8.1823  0.000000       8.182285 
1 1 1 -24 15  23 o 30.679  10.071  166.445    86.631   0.0000     0.0000   166.445    86.631   ?       ?       30.679  10.071  0.000000       10.07090 
1 1 1 -24 15  24 o 38.804  9.6984  256.331    91.061   -17.8191   222.642  311.405    99.790   24.024  11.719  42.839  9.8113  -18.81421      15.28397 
1 1 1 -24 15  25 o 16.237  7.6082  -30.4809   75.344   232.037    173.193  -91.7593   83.677   30.191  13.013  14.884  7.2438  15.30641       14.89353 
1 1 1 -24 15  26 o 27.122  8.3649  121.219    60.529   110.151    83.753   133.322    87.578   25.078  9.6915  26.870  10.019  -1.792469      13.93898 
1 1 1 -24 15  27 o 46.626  6.7653  320.424    74.303   344.573    107.703  298.492    102.641  43.341  10.379  39.966  10.462  3.374435       14.73678 
1 1 1 -24 15  28 o 16.864  7.3713  18.384     57.203   -49.5890   90.198   64.117     73.985   16.494  7.8993  21.070  8.7626  -4.575676      11.79750 
1 1 1 -24 15  29 o 16.353  7.2367  13.112     56.721   -11.0230   82.939   34.319     77.744   17.236  8.0458  19.126  8.4676  -1.889290      11.68057 
1 1 1 -24 15  30 o 17.135  7.4558  24.681     57.938   9.0616     83.340   39.290     80.601   17.993  8.2818  19.368  8.5960  -1.375313      11.93648 
1 1 1 -24 15  31 o 15.076  6.8647  -1.6642    55.243   -31.0197   87.565   17.744     71.199   16.523  7.8775  17.497  7.8977  -0.9742088     11.15471 
1 1 1 -24 15  32 o 17.840  7.7195  35.007     61.421   -8.4764    86.191   79.870     87.549   17.131  8.0620  21.488  9.2571  -4.357265      12.27559 
1 1 1 -24 15  33 o 14.752  6.8777  -14.1861   60.307   7.4392     83.804   -37.4133   86.852   17.536  8.1527  16.040  7.7001  1.495787       11.21419 
1 1 1 -24 15  34 o 16.202  7.6912  -20.8403   81.703   12.049     89.204   -192.1086  203.562  17.950  8.3672  18.453  9.3276  -0.5034771     12.53054 
1 1 1 -24 15  35 f 24.338  10.055  133.645    96.486   164.979    101.584  -155.2453  308.448  26.139  10.494  ?       ?       0.000000       10.49405 
1 1 1 -24 15  36 f 26.822  10.451  170.807    98.013   196.329    104.225  -24.3533   288.212  28.136  10.829  21.461  10.873  6.675478       15.34538 
1 1 1 -24 15  37 o 16.236  7.3668  10.176     62.900   48.572     85.306   -35.5718   93.115   19.482  8.7314  16.477  7.9261  3.004444       11.79239 
1 1 1 -24 15  38 o 19.243  8.2292  53.382     68.258   20.694     93.875   90.052     99.429   18.523  8.6174  21.826  9.6238  -3.302870      12.91808 
1 1 1 -24 15  39 o 21.321  9.4182  82.950     95.647   -235.7548  219.445  157.695    106.273  18.352  9.3176  25.291  10.509  -6.938915      14.04464 
1 1 1 -24 15  40 o 20.072  8.9545  64.410     88.627   147.632    213.520  47.087     97.415   22.697  11.155  19.449  8.9527  3.247953       14.30348 
1 1 1 -24 15  41 o 19.403  9.7489  -46.5141   203.857  -46.5141   203.857  0.0000     0.0000   19.403  9.7489  ?       ?       0.000000       9.748939 
1 1 1 -24 15  42 o 16.353  7.7680  -2.6108    83.601   24.091     212.182  -7.5178    90.959   19.815  9.9547  16.557  7.9302  3.258310       12.72729 
1 1 1 -24 16  1  o 27.552  9.2122  117.535    72.379   30.968     106.603  191.571    98.586   22.438  9.9257  33.599  10.720  -11.16064      14.60987 
1 1 1 -24 16  2  f 24.573  8.8869  87.729     68.061   95.899     103.526  81.510     90.325   25.999  10.539  24.634  9.8935  1.364742       14.45504 
1 1 1 -24 16  3  o 48.908  7.0539  335.401    81.288   282.110    114.776  389.032    115.142  40.435  11.275  49.704  9.8951  -9.269424      15.00092 
1 1 1 -24 16  4  o 38.338  7.9853  215.657    71.869   217.400    97.485   213.581    106.372  36.100  10.499  35.091  11.129  1.008587       15.30005 
1 1 1 -24 16  5  o 48.809  6.4346  326.887    74.348   239.641    102.792  422.603    107.666  37.726  10.723  53.320  8.6157  -15.59396      13.75551 
1 1 1 -24 16  6  o 18.558  7.8599  23.494     61.218   63.156     80.111   -32.1736   94.908   22.869  9.2704  18.723  8.6952  4.145844       12.71011 
1 1 1 -24 16  7  o 27.311  8.6593  113.524    64.399   73.099     86.485   163.830    96.479   23.867  9.6472  31.198  10.635  -7.331093      14.35855 
1 1 1 -24 16  8  f 14.360  6.9946  -106.2158  78.509   -106.2158  78.509   0.0000     0.0000   14.360  6.9946  ?       ?       0.000000       6.994563 
1 1 1 -24 16  9  o 33.910  10.684  195.589    98.153   195.589    98.153   0.0000     0.0000   33.910  10.684  ?       ?       0.000000       10.68393 
1 1 1 -24 16  10 o 43.398  9.7189  298.205    99.797   298.205    99.797   0.0000     0.0000   43.398  9.7189  ?       ?       0.000000       9.718939 
1 1 1 -24 16  11 o 22.473  8.3466  69.130     60.670   -22.6800   85.464   162.396    86.139   18.198  8.3801  31.412  10.021  -13.21430      13.06296 
1 1 1 -24 16  12 o 41.218  7.4369  244.233    71.640   221.690    124.450  255.406    87.613   34.392  12.062  40.596  9.1175  -6.203720      15.11993 
1 1 1 -24 16  13 o 22.892  8.3464  73.832     60.209   -10.6133   98.406   124.360    76.120   19.803  9.0722  27.985  9.4468  -8.181633      13.09760 
1 1 1 -24 16  14 o 28.365  10.293  132.527    91.408   128.859    103.657  145.357    193.843  27.971  10.789  29.331  13.153  -1.360125      17.01182 
1 1 1 -24 16  15 o 17.962  8.4697  -50.1046   96.002   -69.2440   109.865  11.704     197.432  18.504  8.8225  25.399  12.028  -6.894255      14.91646 
1 1 1 -24 16  16 o 18.162  8.5202  -41.1470   94.960   -65.7949   110.788  27.100     184.351  18.642  8.8803  25.275  11.861  -6.632729      14.81738 
1 1 1 -24 16  17 o 43.524  11.066  330.662    117.125  244.571    135.798  580.733    231.443  34.765  12.556  46.224  16.426  -11.45881      20.67505 
1 1 1 -24 16  18 o 21.499  8.9655  51.525     77.755   453.416    247.417  7.4832     81.904   38.394  16.000  19.102  8.5586  19.29196       18.14569 
1 1 1 -24 16  19 o 18.181  8.0372  10.805     69.788   23.190     250.236  9.7602     72.672   26.295  12.733  18.377  8.1588  7.918343       15.12273 
1 1 1 -24 16  20 o 44.710  8.1405  302.866    85.058   545.995    161.683  209.830    100.017  53.064  12.722  33.955  10.794  19.10929       16.68447 
1 1 1 -24 16  21 o 36.924  9.6866  229.780    87.867   0.0000     0.0000   229.780    87.867   ?       ?       36.924  9.6866  0.000000       9.686605 
1 1 1 -24 16  22 o 23.326  9.5320  79.882     85.529   0.0000     0.0000   79.882     85.529   ?       ?       23.326  9.5320  0.000000       9.532009 
1 1 1 -24 16  23 o 22.172  9.1094  68.770     78.638   -1.9833    254.791  76.219     82.675   24.727  12.160  22.817  9.3534  1.909618       15.34080 
1 1 1 -24 16  24 o 26.770  10.086  131.232    89.206   1157.31    207.500  -101.4020  98.802   79.737  11.019  15.967  7.7926  63.76985       13.49644 
1 1 1 -24 16  25 o 17.659  7.4142  30.478     53.714   -95.2021   81.650   126.372    71.321   14.453  7.0605  26.868  9.1438  -12.41462      11.55247 
1 1 1 -24 16  26 o 38.647  7.4176  229.924    67.028   231.840    97.557   228.210    92.250   34.282  10.627  34.647  10.252  -0.3651619     14.76655 
1 1 1 -24 16  27 o 37.607  7.3032  218.515    64.240   207.730    91.764   228.880    89.962   32.377  10.344  34.665  10.087  -2.288132      14.44810 
1 1 1 -24 16  28 o 14.210  6.6634  -25.8325   57.975   -79.0361   87.139   16.421     77.656   15.152  7.3782  18.080  8.1962  -2.927381      11.02795 
1 1 1 -24 16  29 o 37.331  7.7650  225.964    68.044   128.359    97.800   317.540    94.732   24.838  10.176  41.710  9.5643  -16.87140      13.96553 
1 1 1 -24 16  30 o 15.081  6.9715  -9.3504    59.986   74.733     90.245   -75.9102   80.292   21.338  9.2946  14.429  7.0383  6.908652       11.65874 
1 1 1 -24 16  31 o 16.638  7.4736  15.834     62.873   -48.9257   91.500   73.763     86.540   16.039  7.7500  21.025  9.1302  -4.985497      11.97594 
1 1 1 -24 16  32 o 19.765  8.1947  61.676     64.424   58.907     89.880   64.602     92.391   20.124  8.9948  20.464  9.1351  -0.3397446     12.82020 
1 1 1 -24 16  33 o 20.130  8.9072  62.355     85.909   70.004     95.787   30.900     194.249  20.685  9.2627  21.065  10.407  -0.3794270     13.93218 
1 1 1 -24 16  34 o 40.870  10.745  356.779    107.964  443.838    120.832  12.098     240.427  45.389  11.071  21.230  10.656  24.15899       15.36602 
1 1 1 -24 16  35 f 23.683  9.8517  123.654    93.551   126.728    101.410  106.098    242.365  23.623  10.065  22.389  11.156  1.233635       15.02523 
1 1 1 -24 16  36 o 18.673  8.0566  46.868     66.517   132.458    90.294   -54.7034   98.363   24.471  9.8692  16.186  7.8719  8.284714       12.62413 
1 1 1 -24 16  37 o 19.563  8.2470  59.353     66.894   68.397     90.901   48.670     98.797   20.539  9.1216  19.774  9.0704  0.7651291      12.86375 
1 1 1 -24 16  38 o 24.174  10.216  138.611    103.047  218.791    262.625  124.020    112.031  23.650  11.757  23.145  10.210  0.5044136      15.57118 
1 1 1 -24 16  39 o 15.344  7.4676  -55.9244   88.949   -73.3040   250.124  -53.4082   95.170   20.107  10.181  15.834  7.7100  4.273674       12.77095 
1 1 1 -24 16  40 o ?       ?       -316.6787  224.680  -316.6787  224.680  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 16  41 o 17.421  8.2105  18.951     89.995   122.974    286.385  7.5533     94.797   20.922  10.624  17.202  8.1999  3.720085       13.42081 
1 1 1 -24 17  1  o 49.647  7.0340  346.780    82.364   339.286    122.384  352.985    111.356  44.286  11.340  46.850  10.094  -2.564106      15.18150 
1 1 1 -24 17  2  o 49.633  7.1977  348.675    84.154   296.371    122.370  395.605    115.914  40.628  11.748  49.912  9.9207  -9.284191      15.37627 
1 1 1 -24 17  3  o 74.705  5.3113  736.752    95.648   764.524    134.398  708.250    136.153  72.985  7.7058  69.502  8.2337  3.483101       11.27707 
1 1 1 -24 17  4  o 66.682  5.7788  596.252    92.577   572.038    132.576  619.295    129.330  61.152  9.2215  64.693  8.4402  -3.540604      12.50093 
1 1 1 -24 17  5  o 48.236  7.0259  327.501    79.816   224.821    113.732  427.150    112.041  35.316  11.536  52.952  9.0452  -17.63519      14.65964 
1 1 1 -24 17  6  o 50.263  6.4262  347.770    76.579   383.836    102.525  302.255    115.174  50.553  8.6704  41.879  11.140  8.673798       14.11650 
1 1 1 -24 17  7  o 21.150  8.4164  53.164     64.751   75.456     89.215   28.349     94.126   24.014  9.7653  21.387  9.3993  2.626390       13.55390 
1 1 1 -24 17  8  o 26.871  10.004  113.497    87.251   113.497    87.251   0.0000     0.0000   26.871  10.004  ?       ?       0.000000       10.00358 
1 1 1 -24 17  9  o 35.061  10.366  207.002    94.341   207.002    94.341   0.0000     0.0000   35.061  10.366  ?       ?       0.000000       10.36607 
1 1 1 -24 17  10 o 24.823  9.0864  91.768     71.461   80.465     100.652  103.256    101.475  24.674  10.238  26.177  10.496  -1.502390      14.66190 
1 1 1 -24 17  11 o 68.256  5.8231  627.629    95.518   468.953    143.311  754.462    128.127  51.738  11.691  72.803  7.3540  -21.06451      13.81170 
1 1 1 -24 17  12 o 42.279  6.4644  248.514    64.209   262.574    103.281  239.656    81.977   39.300  10.591  39.443  8.7903  -0.1430817     13.76394 
1 1 1 -24 17  13 o 16.488  7.8121  -56.4404   83.512   5.4856     103.542  -171.7162  141.270  20.752  9.4295  18.311  9.0140  2.440901       13.04485 
1 1 1 -24 17  14 o 16.926  8.0921  -71.9793   93.760   -6.3063    109.017  -258.5794  183.763  20.581  9.4729  19.443  9.6922  1.138796       13.55263 
1 1 1 -24 17  15 o 28.052  10.916  135.031    106.819  236.546    122.962  -177.2616  215.667  34.926  12.004  22.139  10.943  12.78779       16.24319 
1 1 1 -24 17  16 f 29.128  10.991  151.498    106.041  139.192    124.109  184.773    204.085  28.106  11.484  29.902  13.446  -1.796053      17.68207 
1 1 1 -24 17  17 o 38.276  9.7579  243.208    90.898   179.154    272.877  251.202    96.404   29.485  14.014  38.403  10.181  -8.918209      17.32199 
1 1 1 -24 17  18 o 25.649  9.4241  106.032    76.974   83.554     252.679  108.331    80.816   27.184  13.071  25.823  9.6247  1.360888       16.23267 
1 1 1 -24 17  19 o 19.712  8.1580  41.990     63.682   -91.2870   127.941  85.885     73.423   18.795  9.1021  23.739  9.1002  -4.943636      12.87098 
1 1 1 -24 17  20 o 36.682  10.083  235.063    92.526   0.0000     0.0000   235.063    92.526   ?       ?       36.682  10.083  0.000000       10.08306 
1 1 1 -24 17  21 f 28.196  10.568  148.385    97.705   0.0000     0.0000   148.385    97.705   ?       ?       28.196  10.568  0.000000       10.56832 
1 1 1 -24 17  22 o 30.671  10.052  172.336    86.318   -39.2494   256.025  199.471    91.686   23.970  11.862  32.758  10.326  -8.788137      15.72687 
1 1 1 -24 17  23 o 24.960  9.6725  109.002    83.601   416.829    203.769  46.700     91.672   35.780  14.678  21.000  9.2512  14.78019       17.34990 
1 1 1 -24 17  24 o 41.037  7.3253  256.380    70.265   301.322    100.715  213.763    98.076   40.531  10.238  32.731  10.714  7.800037       14.81912 
1 1 1 -24 17  25 f 18.800  7.7667  43.308     57.570   120.136    87.271   -15.8826   76.601   25.270  9.8574  16.657  7.7608  8.613455       12.54591 
1 1 1 -24 17  26 o 12.588  6.0463  -50.5061   53.703   -99.4594   78.635   -7.7156    73.519   13.822  6.7885  16.653  7.7053  -2.831030      10.26912 
1 1 1 -24 17  27 o 19.904  8.0102  58.560     59.344   -5.3667    84.828   119.834    83.049   17.473  8.1497  24.846  9.6371  -7.373392      12.62101 
1 1 1 -24 17  28 o 39.360  7.3237  244.721    67.369   340.602    96.365   153.059    94.221   43.350  9.4298  26.573  10.276  16.77757       13.94730 
1 1 1 -24 17  29 o 17.044  7.4200  27.138     57.440   -28.5342   86.496   71.059     76.826   16.412  7.8259  20.833  8.8132  -4.420954      11.78632 
1 1 1 -24 17  30 o 31.937  8.7812  187.376    70.164   266.924    103.503  119.740    95.440   34.103  10.995  23.614  9.8970  10.48940       14.79363 
1 1 1 -24 17  31 o 22.236  8.5962  92.153     65.909   17.425     91.807   171.628    94.678   18.216  8.4903  27.047  10.342  -8.831051      13.38065 
1 1 1 -24 17  32 o 32.586  10.400  235.312    92.769   166.273    101.364  591.434    230.217  25.987  10.465  32.838  14.553  -6.851370      17.92529 
1 1 1 -24 17  33 o 44.567  10.325  404.550    109.465  342.464    124.279  619.388    231.185  35.783  12.071  33.468  14.719  2.314770       19.03566 
1 1 1 -24 17  34 o 25.401  10.109  151.055    93.414   254.026    102.782  -337.8604  223.962  32.482  10.977  ?       ?       0.000000       10.97715 
1 1 1 -24 17  35 f 12.612  6.0904  -50.3559   56.310   -174.0001  82.194   59.004     77.301   12.126  6.1049  19.672  8.5846  -7.546069      10.53400 
1 1 1 -24 17  36 o 13.059  6.3141  -52.7433   60.985   41.315     82.167   -168.1078  90.999   18.831  8.4934  13.015  6.5362  5.815977       10.71728 
1 1 1 -24 17  37 o 18.108  8.3526  25.036     85.413   -278.4640  250.619  64.921     90.853   ?       ?       20.167  9.0266  0.000000       9.026567 
1 1 1 -24 17  38 o 19.007  8.7387  43.267     92.430   262.642    277.552  15.903     98.026   23.442  11.721  18.116  8.5474  5.326090       14.50616 
1 1 1 -24 17  39 o 19.918  9.0234  68.952     93.934   225.904    284.895  49.808     99.498   22.408  11.292  19.179  8.9057  3.228315       14.38149 
1 1 1 -24 17  40 o 18.064  8.5088  31.926     96.416   16.945     263.853  34.234     103.579  19.926  10.126  18.334  8.6908  1.592060       13.34435 
1 1 1 -24 18  1  o 14.096  6.7348  -62.5357   64.729   7.5449     101.187  -111.0778  84.214   20.762  9.3889  14.795  7.2148  5.966800       11.84083 
1 1 1 -24 18  2  o 22.755  8.8869  69.147     70.998   -12.2416   103.424  141.684    97.638   20.070  9.2334  28.987  10.619  -8.917343      14.07229 
1 1 1 -24 18  3  o 25.057  9.0968  94.511     71.413   62.936     105.354  121.350    97.133   23.790  10.200  27.400  10.476  -3.610050      14.62131 
1 1 1 -24 18  4  o 20.810  8.5356  46.678     68.902   -15.8367   99.682   103.874    95.348   19.629  9.0433  26.086  10.266  -6.456718      13.68090 
1 1 1 -24 18  5  o 24.253  9.0530  86.011     71.551   60.959     106.210  106.828    96.818   23.702  10.204  26.307  10.347  -2.604834      14.53202 
1 1 1 -24 18  6  o 28.343  9.1590  127.386    71.785   137.371    101.098  117.233    101.946  28.557  10.741  27.075  10.628  1.481627       15.11033 
1 1 1 -24 18  7  o 36.459  10.636  228.572    99.917   228.572    99.917   0.0000     0.0000   36.459  10.636  ?       ?       0.000000       10.63648 
1 1 1 -24 18  8  o 22.914  9.4778  63.752     85.881   63.752     85.881   0.0000     0.0000   22.914  9.4778  ?       ?       0.000000       9.477848 
1 1 1 -24 18  9  o 25.520  10.105  98.047     92.925   98.047     92.925   0.0000     0.0000   25.520  10.105  ?       ?       0.000000       10.10535 
1 1 1 -24 18  10 o 68.307  5.4580  622.932    89.705   563.916    121.781  692.938    132.636  61.391  8.3954  68.451  8.1457  -7.060135      11.69766 
1 1 1 -24 18  11 o 65.879  5.1649  574.697    81.899   607.669    123.574  548.869    109.368  64.030  8.1377  61.712  7.4551  2.317978       11.03630 
1 1 1 -24 18  12 o 23.704  9.5263  77.995     83.808   174.816    103.636  -104.9744  142.467  31.147  11.000  19.741  9.5713  11.40627       14.58093 
1 1 1 -24 18  13 o 33.071  10.156  187.482    89.330   270.104    112.302  45.141     147.403  38.536  11.286  24.306  11.123  14.23068       15.84633 
1 1 1 -24 18  14 o 34.761  10.629  214.085    97.975   169.967    119.777  303.291    170.317  30.000  11.591  35.836  13.828  -5.835707      18.04359 
1 1 1 -24 18  15 o 38.280  10.638  258.141    102.368  244.399    114.325  313.717    229.916  35.803  11.557  33.401  14.684  2.401764       18.68703 
1 1 1 -24 18  16 o 33.893  8.6482  182.175    71.354   309.714    116.046  104.642    90.480   41.047  11.296  25.480  10.009  15.56717       15.09233 
1 1 1 -24 18  17 f 34.131  8.6652  185.891    71.890   146.799    114.653  211.217    92.284   28.099  11.194  34.576  10.260  -6.476734      15.18418 
1 1 1 -24 18  18 o 18.139  7.7899  24.285     61.628   -97.0820   110.425  79.187     74.270   17.271  8.3858  23.058  9.0648  -5.787140      12.34876 
1 1 1 -24 18  19 o 45.057  10.521  359.405    112.934  0.0000     0.0000   359.405    112.934  ?       ?       45.057  10.521  0.000000       10.52084 
1 1 1 -24 18  20 o 17.837  8.0990  1.9023     76.200   0.0000     0.0000   1.9023     76.200   ?       ?       17.837  8.0990  0.000000       8.098966 
1 1 1 -24 18  21 o 27.781  9.8956  141.705    84.049   -19.5126   267.979  159.294    88.515   24.166  11.990  29.092  10.174  -4.925377      15.72463 
1 1 1 -24 18  22 o 33.304  10.302  210.998    91.740   144.557    279.934  218.992    97.102   26.142  12.833  33.421  10.637  -7.279221      16.66825 
1 1 1 -24 18  23 f 40.581  7.2697  251.457    68.953   348.225    99.125   160.734    95.979   44.922  9.3962  28.171  10.491  16.75105       14.08372 
1 1 1 -24 18  24 o 25.639  8.4228  112.864    60.593   200.846    86.914   29.665     84.518   32.257  10.036  19.295  8.6662  12.96189       13.25988 
1 1 1 -24 18  25 o 14.705  6.7830  -12.4935   56.334   11.509     81.574   -34.3760   77.889   18.069  8.2712  15.819  7.5096  2.249922       11.17164 
1 1 1 -24 18  26 o 18.064  7.5564  39.715     55.476   171.287    80.687   -78.2458   76.399   29.453  9.7217  14.080  6.8675  15.37272       11.90263 
1 1 1 -24 18  27 o 11.927  5.8135  -66.4387   54.498   18.562     82.983   -130.9030  72.267   18.173  8.3273  12.176  6.0712  5.996257       10.30551 
1 1 1 -24 18  28 o 24.250  8.4729  108.090    61.383   82.886     90.957   129.169    83.182   21.558  9.3610  24.866  9.6448  -3.308197      13.44057 
1 1 1 -24 18  29 o 35.767  8.3821  224.995    71.474   340.857    97.895   92.729     104.596  41.909  9.8018  21.869  9.7442  20.03955       13.82119 
1 1 1 -24 18  30 o 13.800  6.5933  -36.4282   62.047   -28.6788   90.831   -43.2080   84.959   16.406  7.8755  15.538  7.4976  0.8682060      10.87373 
1 1 1 -24 18  31 o 24.115  9.6988  129.347    86.939   128.768    94.531   132.528    221.415  23.733  9.8904  22.444  11.093  1.288767       14.86181 
1 1 1 -24 18  32 o 27.588  10.448  185.870    96.054   114.706    107.579  465.648    213.305  22.543  9.9715  29.866  13.557  -7.323612      16.82900 
1 1 1 -24 18  33 o 19.204  8.8025  44.989     92.813   66.628     104.894  -33.0541   199.205  20.382  9.3482  19.847  9.9241  0.5354633      13.63363 
1 1 1 -24 18  34 o 12.928  6.2481  -51.0095   59.566   -134.9073  83.121   37.561     85.404   12.944  6.4632  18.664  8.5128  -5.720185      10.68834 
1 1 1 -24 18  35 o 13.221  6.3464  -41.8457   58.963   -131.3430  88.617   29.252     78.984   13.498  6.7289  18.010  8.2038  -4.512879      10.61034 
1 1 1 -24 18  36 o 28.415  10.844  208.962    103.962  466.431    262.950  161.259    113.184  26.863  13.019  24.697  10.580  2.165455       16.77618 
1 1 1 -24 18  37 o 14.429  7.0233  -57.5045   78.735   -388.3226  262.020  -24.6676   82.550   ?       ?       15.787  7.5597  0.000000       7.559737 
1 1 1 -24 18  38 o 22.328  9.6477  118.041    95.671   110.156    262.386  119.250    102.744  21.203  10.703  22.195  9.7848  -0.9920597     14.50194 
1 1 1 -24 18  39 o 17.944  8.3763  35.518     89.897   100.606    262.016  26.834     95.706   20.502  10.385  17.785  8.4076  2.716864       13.36159 
1 1 1 -24 19  1  o 20.117  8.5181  35.830     71.873   76.735     106.896  2.0808     97.098   24.451  10.373  20.102  9.1330  4.348837       13.82033 
1 1 1 -24 19  2  o 78.121  5.5288  816.139    104.123  776.095    151.115  852.336    143.672  71.180  8.9473  76.376  7.8652  -5.196045      11.91283 
1 1 1 -24 19  3  o 77.385  5.4960  800.070    102.526  720.664    145.870  877.597    144.133  68.507  8.9926  77.686  7.7498  -9.178665      11.87127 
1 1 1 -24 19  4  o 17.247  7.7240  -1.5163    66.630   -76.3042   96.485   66.663     92.123   17.039  8.1629  23.289  9.7395  -6.250048      12.70784 
1 1 1 -24 19  5  o 47.480  7.4990  326.860    83.525   409.224    121.014  251.925    115.428  49.731  10.365  36.886  11.580  12.84457       15.54143 
1 1 1 -24 19  6  o 44.317  10.199  325.380    107.399  298.317    116.372  480.838    278.914  40.761  11.348  38.004  16.447  2.756645       19.98228 
1 1 1 -24 19  7  o 50.005  10.545  418.731    123.918  418.731    123.918  0.0000     0.0000   50.005  10.545  ?       ?       0.000000       10.54515 
1 1 1 -24 19  8  o 20.751  9.1493  26.950     89.856   26.950     89.856   0.0000     0.0000   20.751  9.1493  ?       ?       0.000000       9.149252 
1 1 1 -24 19  9  o 22.946  8.7508  74.975     67.674   76.225     90.804   73.413     101.497  23.746  9.7762  23.929  10.127  -0.1832199     14.07569 
1 1 1 -24 19  10 o 27.316  9.9216  123.849    84.966   138.171    107.044  99.461     139.689  28.120  10.931  26.192  11.482  1.927940       15.85353 
1 1 1 -24 19  11 o 62.801  7.8917  583.717    117.599  691.451    146.854  391.130    196.345  65.994  9.4399  38.698  14.870  27.29644       17.61359 
1 1 1 -24 19  12 o 55.649  8.2711  468.123    108.286  436.473    133.379  529.320    185.470  49.462  11.354  48.154  14.603  1.307678       18.49759 
1 1 1 -24 19  13 o 23.224  9.4346  75.421     83.169   90.216     102.292  46.565     142.858  24.692  10.289  23.885  10.938  0.8064098      15.01680 
1 1 1 -24 19  14 o 21.420  7.9457  65.036     54.949   142.205    90.759   20.380     69.041   28.406  10.264  18.589  8.1127  9.816339       13.08301 
1 1 1 -24 19  15 f 30.328  8.9138  150.751    69.941   152.843    111.112  149.378    90.010   28.492  11.120  28.924  10.247  -0.4322453     15.12176 
1 1 1 -24 19  16 o 21.170  8.3452  61.103     63.106   -84.6432   106.888  139.088    78.187   17.309  8.3665  28.409  9.5743  -11.09989      12.71477 
1 1 1 -24 19  17 o 28.949  9.2587  142.990    73.500   134.884    116.857  148.297    94.544   26.871  11.080  28.304  10.438  -1.432884      15.22183 
1 1 1 -24 19  18 o 16.653  7.6322  -9.9254    69.750   0.0000     0.0000   -9.9254    69.750   ?       ?       16.653  7.6322  0.000000       7.632242 
1 1 1 -24 19  19 o 23.574  9.5696  89.892     85.494   0.0000     0.0000   89.892     85.494   ?       ?       23.574  9.5696  0.000000       9.569598 
1 1 1 -24 19  20 o 23.718  9.8258  94.057     92.515   0.0000     0.0000   94.057     92.515   ?       ?       23.718  9.8258  0.000000       9.825769 
1 1 1 -24 19  21 o 20.643  8.8792  53.354     80.291   135.976    268.675  45.252     84.136   25.621  12.576  20.322  8.9098  5.299223       15.41250 
1 1 1 -24 19  22 o 24.385  8.5617  102.177    62.713   70.134     95.235   126.709    83.330   21.897  9.5429  25.819  9.7430  -3.921751      13.63791 
1 1 1 -24 19  23 o 22.354  8.3335  83.466     60.592   46.290     87.178   118.207    84.275   20.161  8.9443  24.849  9.6885  -4.687319      13.18590 
1 1 1 -24 19  24 o 20.459  8.0394  65.426     58.395   47.630     87.857   79.510     78.157   20.070  8.9375  21.795  9.0303  -1.724138      12.70534 
1 1 1 -24 19  25 f ?       ?       -177.3516  40.539   -342.4812  64.837   -71.3607   51.945   ?       ?       11.424  5.5915  0.000000       5.591480 
1 1 1 -24 19  26 o 13.740  6.4110  -18.5811   52.569   41.477     76.629   -71.9730   72.251   18.944  8.3958  13.722  6.6898  5.221389       10.73511 
1 1 1 -24 19  27 o 35.244  8.6516  223.073    73.437   121.200    100.007  342.293    108.187  23.500  10.003  39.807  10.887  -16.30683      14.78476 
1 1 1 -24 19  28 o 18.866  7.9259  52.881     61.447   14.905     82.313   100.682    92.350   17.568  8.1374  22.204  9.5358  -4.635803      12.53587 
1 1 1 -24 19  29 o 14.923  6.8899  -3.5931    58.314   -19.5065   78.729   15.748     86.795   15.844  7.5297  17.727  8.2599  -1.882700      11.17689 
1 1 1 -24 19  30 o 14.166  6.9614  -81.2804   83.045   -134.6517  92.995   128.865    184.529  13.727  6.8513  22.274  10.821  -8.546668      12.80739 
1 1 1 -24 19  31 o 14.794  7.1820  -52.8365   80.905   -97.3929   89.477   146.876    189.433  14.253  7.0456  22.541  10.954  -8.288218      13.02389 
1 1 1 -24 19  32 o 10.442  5.3103  -220.0197  73.462   -308.6129  78.998   346.439    199.757  ?       ?       26.977  12.557  0.000000       12.55697 
1 1 1 -24 19  33 o 15.757  7.2214  6.2656     62.429   -22.3406   93.638   29.155     83.760   16.640  7.9900  18.114  8.3247  -1.474707      11.53868 
1 1 1 -24 19  34 o 9.9729  5.0250  -138.8360  56.292   -60.6500   85.309   -199.1321  74.916   14.926  7.2749  10.928  5.5373  3.997473       9.142519 
1 1 1 -24 19  35 o 21.450  9.4073  93.866     93.855   114.152    247.584  90.462     101.425  21.831  10.938  21.239  9.5196  0.5924549      14.50043 
1 1 1 -24 19  36 o 17.320  8.1299  12.192     86.683   -15.5304   244.794  16.166     92.689   20.167  10.197  17.734  8.3502  2.432842       13.17951 
1 1 1 -24 19  37 o 22.200  9.7948  122.528    103.151  411.033    261.989  69.599     112.215  24.493  12.098  19.890  9.3087  4.602964       15.26499 
1 1 1 -24 19  38 o 19.711  9.0692  77.370     99.812   -152.8470  275.779  112.072    107.071  ?       ?       21.125  9.5950  0.000000       9.595037 
1 1 1 -24 20  1  o 70.665  5.7041  675.208    96.971   616.636    138.712  731.193    135.614  62.374  9.4623  70.042  8.1309  -7.667763      12.47579 
1 1 1 -24 20  2  o 55.122  6.7661  428.800    88.595   330.231    130.194  513.805    120.905  41.491  12.152  57.601  8.9406  -16.10933      15.08674 
1 1 1 -24 20  3  o 73.853  5.6429  735.777    100.354  705.187    142.697  765.712    141.159  67.551  8.9245  71.398  8.3032  -3.847137      12.18976 
1 1 1 -24 20  4  o 55.111  6.5630  425.465    86.037   418.123    122.289  432.661    121.068  49.908  10.434  51.278  10.090  -1.369823      14.51483 
1 1 1 -24 20  5  o 24.094  9.2291  86.869     75.480   23.915     109.441  143.979    104.238  21.693  9.7916  28.533  10.866  -6.839457      14.62655 
1 1 1 -24 20  6  o 16.976  8.1734  -83.5520   99.589   -83.5520   99.589   0.0000     0.0000   16.976  8.1734  ?       ?       0.000000       8.173380 
1 1 1 -24 20  7  o 29.443  11.282  160.497    112.817  160.497    112.817  0.0000     0.0000   29.443  11.282  ?       ?       0.000000       11.28187 
1 1 1 -24 20  8  o 92.364  7.1059  1220.78    158.030  1304.60    175.828  868.475    360.466  94.126  7.7680  42.853  18.622  51.27334       20.17679 
1 1 1 -24 20  9  o 67.589  8.4776  697.547    135.973  473.780    153.843  1496.38    290.676  48.960  12.804  83.991  14.804  -35.03061      19.57319 
1 1 1 -24 20  10 o 33.226  10.173  193.294    89.715   86.484     110.124  404.087    154.705  24.605  10.486  43.378  13.372  -18.77272      16.99300 
1 1 1 -24 20  11 o 23.939  9.6261  85.709     85.623   133.514    105.018  -9.0756    147.875  27.397  10.776  22.162  10.469  5.235548       15.02427 
1 1 1 -24 20  12 o 25.211  8.3099  99.904     58.962   74.510     104.723  111.689    71.344   23.633  10.152  26.102  9.1337  -2.468660      13.65620 
1 1 1 -24 20  13 o 18.425  7.8584  27.863     61.946   92.879     100.020  -12.5941   78.899   24.501  10.189  17.536  8.0667  6.964237       12.99556 
1 1 1 -24 20  14 o 40.081  7.4685  240.409    69.961   275.309    106.054  213.520    93.088   38.576  10.867  34.348  10.330  4.227497       14.99286 
1 1 1 -24 20  15 o 36.451  8.4758  212.230    73.545   312.473    110.456  132.395    98.573   41.087  10.900  26.887  10.480  14.20048       15.12057 
1 1 1 -24 20  16 o 17.110  7.6163  8.7709     63.733   51.978     106.183  -15.5606   79.682   22.042  9.8198  17.271  8.0021  4.770842       12.66737 
1 1 1 -24 20  17 o 16.421  7.6166  -18.1023   72.493   0.0000     0.0000   -18.1023   72.493   ?       ?       16.421  7.6166  0.000000       7.616570 
1 1 1 -24 20  18 o 16.197  7.5559  -22.1782   72.968   0.0000     0.0000   -22.1782   72.968   ?       ?       16.197  7.5559  0.000000       7.555864 
1 1 1 -24 20  19 o 28.879  10.436  166.988    93.827   0.0000     0.0000   166.988    93.827   ?       ?       28.879  10.436  0.000000       10.43584 
1 1 1 -24 20  20 o 20.395  8.8826  50.467     82.390   0.0000     0.0000   50.467     82.390   ?       ?       20.395  8.8826  0.000000       8.882592 
1 1 1 -24 20  21 o 20.975  8.2111  68.899     60.720   -47.2970   96.872   144.095    77.929   16.911  8.1221  27.475  9.5497  -10.56402      12.53660 
1 1 1 -24 20  22 o 22.986  8.5196  91.871     63.147   -83.1424   100.180  207.250    81.341   16.006  7.8193  33.169  9.5741  -17.16312      12.36144 
1 1 1 -24 20  23 o 19.982  8.2302  60.044     64.391   63.163     96.959   57.582     86.126   20.960  9.3573  20.396  8.9768  0.5638046      12.96696 
1 1 1 -24 20  24 o 24.245  8.3777  106.009    59.932   254.037    87.176   -26.6493   82.527   36.294  9.7093  16.194  7.6999  20.10061       12.39188 
1 1 1 -24 20  25 o 17.932  7.5215  42.006     55.193   -55.1772   80.216   129.380    76.060   14.914  7.2186  25.214  9.3492  -10.29996      11.81171 
1 1 1 -24 20  26 o 13.744  6.4971  -26.1627   57.132   -78.4723   77.520   36.030     84.527   13.878  6.8006  18.669  8.4971  -4.790768      10.88340 
1 1 1 -24 20  27 o 18.820  8.1340  51.180     68.037   103.820    87.672   -28.5231   107.880  22.301  9.4234  17.256  8.3570  5.045343       12.59524 
1 1 1 -24 20  28 o 15.187  7.0364  -2.8050    61.615   37.545     85.959   -45.4453   88.365   18.536  8.4871  15.557  7.5415  2.979665       11.35363 
1 1 1 -24 20  29 o 18.823  8.4814  47.503     81.698   40.444     88.259   89.753     215.934  18.677  8.5693  21.390  10.638  -2.713238      13.65977 
1 1 1 -24 20  30 o 14.839  7.1628  -41.6948   77.691   -91.4141   83.335   288.534    214.769  13.855  6.8400  24.680  11.912  -10.82521      13.73634 
1 1 1 -24 20  31 o 18.892  8.6164  46.124     87.482   152.225    95.295   -522.4753  220.603  24.829  10.094  ?       ?       0.000000       10.09430 
1 1 1 -24 20  32 o 26.227  9.3437  147.213    74.937   146.915    104.199  147.532    107.848  24.069  10.227  23.942  10.294  0.1273289      14.51078 
1 1 1 -24 20  33 f 10.445  5.2424  -126.7986  58.104   -130.5764  77.784   -122.0296  87.395   12.469  6.2299  13.497  6.7209  -1.027287      9.164226 
1 1 1 -24 20  34 o 18.909  8.8731  37.276     103.116  -89.4684   257.305  61.526     112.549  19.712  10.016  19.972  9.3394  -0.2600765     13.69452 
1 1 1 -24 20  35 o 24.122  10.258  155.857    104.987  144.826    274.779  157.743    113.606  21.577  10.900  23.795  10.395  -2.218904      15.06186 
1 1 1 -24 20  36 o 20.586  9.4171  91.890     105.499  216.607    273.415  70.074     114.354  21.767  10.981  19.775  9.3002  1.991919       14.39002 
1 1 1 -24 20  37 o 25.748  10.665  207.850    108.971  497.542    291.657  160.849    117.479  23.518  11.796  22.730  10.213  0.7875843      15.60242 
1 1 1 -24 21  1  o 50.927  7.0652  373.548    84.953   627.459    121.730  132.466    118.615  64.924  7.8895  27.378  11.211  37.54552       13.70876 
1 1 1 -24 21  2  f 49.926  7.0766  359.333    83.326   376.267    124.247  345.491    112.333  45.669  11.279  44.769  10.519  0.9003677      15.42320 
1 1 1 -24 21  3  o 31.148  9.5554  163.521    79.105   230.882    115.635  104.268    108.452  34.396  11.643  25.624  10.629  8.772160       15.76507 
1 1 1 -24 21  4  o 78.197  5.4286  822.743    102.362  805.258    142.157  841.570    147.516  73.087  8.1551  74.459  8.3066  -1.371651      11.64070 
1 1 1 -24 21  5  o 111.441 7.3813  1805.69    198.461  1805.69    198.461  0.0000     0.0000   111.441 7.3813  ?       ?       0.000000       7.381297 
1 1 1 -24 21  6  o 40.542  11.247  303.362    114.523  303.362    114.523  0.0000     0.0000   40.542  11.247  ?       ?       0.000000       11.24705 
1 1 1 -24 21  7  o 24.437  10.897  74.469     131.078  74.469     131.078  0.0000     0.0000   24.437  10.897  ?       ?       0.000000       10.89680 
1 1 1 -24 21  8  f 20.039  9.3935  -18.9915   115.049  -34.5068   126.942  52.362     272.228  20.254  9.6069  26.460  12.918  -6.205458      16.09904 
1 1 1 -24 21  9  o 20.660  9.3721  18.642     101.740  -38.0676   127.340  118.739    169.178  20.118  9.5654  26.619  12.079  -6.501234      15.40791 
1 1 1 -24 21  10 o 32.886  10.392  196.777    92.814   195.477    112.629  199.528    163.842  31.302  11.415  29.681  12.723  1.620649       17.09309 
1 1 1 -24 21  11 o 45.088  6.5630  290.815    69.694   414.510    106.888  199.335    91.921   50.828  8.9961  33.092  10.325  17.73594       13.69445 
1 1 1 -24 21  12 o 50.291  6.7168  364.687    79.915   320.991    119.172  400.392    107.726  40.574  11.550  49.344  9.3395  -8.769623      14.85392 
1 1 1 -24 21  13 o 65.874  5.8898  603.598    93.148   766.348    134.754  454.675    128.903  70.671  7.9993  49.984  10.933  20.68770       13.54674 
1 1 1 -24 21  14 o 26.422  9.0150  119.037    69.328   220.988    106.493  44.047     91.332   33.077  11.174  20.947  9.2306  12.12954       14.49320 
1 1 1 -24 21  15 o 17.228  7.6013  14.576     62.130   -26.0030   101.445  38.933     78.595   18.390  8.6823  19.904  8.6720  -1.514256      12.27139 
1 1 1 -24 21  16 f 19.641  8.4187  42.323     71.732   -73.2895   204.671  58.512     76.590   21.684  10.707  20.955  8.8286  0.7286472      13.87781 
1 1 1 -24 21  17 o 11.960  5.9192  -109.7038  63.815   0.0000     0.0000   -109.7038  63.815   ?       ?       11.960  5.9192  0.000000       5.919194 
1 1 1 -24 21  18 o 18.326  8.2697  17.747     78.012   0.0000     0.0000   17.747     78.012   ?       ?       18.326  8.2697  0.000000       8.269708 
1 1 1 -24 21  19 o 20.403  8.8097  55.059     79.653   122.614    217.867  44.636     85.577   24.488  11.864  20.022  8.8733  4.465361       14.81494 
1 1 1 -24 21  20 o 20.733  8.3017  67.454     63.392   -32.9601   104.267  126.336    79.844   17.708  8.4839  25.489  9.5536  -7.781158      12.77688 
1 1 1 -24 21  21 o 24.505  8.6163  108.693    63.526   41.041     96.415   160.594    84.448   19.913  9.0679  27.928  9.9222  -8.014427      13.44160 
1 1 1 -24 21  22 o 35.553  8.1943  215.271    69.239   95.113     104.449  309.466    92.478   22.419  9.8756  40.792  9.5175  -18.37273      13.71531 
1 1 1 -24 21  23 o 24.700  8.7837  116.243    66.196   88.371     103.678  135.424    86.009   21.829  9.7156  25.126  9.7902  -3.297575      13.79273 
1 1 1 -24 21  24 o 16.374  7.2926  19.207     58.516   -69.6071   91.118   81.544     76.337   15.248  7.4507  21.178  8.8621  -5.930929      11.57795 
1 1 1 -24 21  25 o 28.004  8.7667  151.391    66.204   283.588    90.143   -3.4227    97.549   37.533  9.7943  17.521  8.3425  20.01248       12.86565 
1 1 1 -24 21  26 o 14.255  6.6899  -15.9274   58.645   -7.6968    79.277   -25.8749   87.154   16.240  7.6696  16.080  7.7179  0.1596279      10.88065 
1 1 1 -24 21  27 o 19.180  8.0035  60.783     62.017   110.808    83.593   -0.4608    92.492   22.541  9.3392  17.161  8.1574  5.379496       12.40018 
1 1 1 -24 21  28 o 17.954  8.1962  33.991     79.391   75.728     86.873   -177.4919  195.552  20.269  8.9634  17.682  8.9581  2.586739       12.67243 
1 1 1 -24 21  29 o 13.497  6.6653  -90.2924   79.392   -75.5129   85.890   -177.0233  208.067  14.402  7.0776  17.969  9.1177  -3.567042      11.54232 
1 1 1 -24 21  30 o 23.031  9.7412  125.940    93.832   99.051     102.784  260.444    229.879  21.379  9.5827  23.561  11.579  -2.181881      15.02987 
1 1 1 -24 21  31 o 15.563  7.1850  3.6370     63.406   -34.1665   89.036   42.535     90.315   15.832  7.6484  18.730  8.6212  -2.898222      11.52495 
1 1 1 -24 21  32 o 17.617  7.8286  36.572     67.058   88.592     96.956   -11.1307   92.846   20.954  9.3556  16.781  8.0308  4.172937       12.32973 
1 1 1 -24 21  33 o 31.545  11.523  283.199    114.841  506.639    278.317  237.350    126.074  25.794  12.689  27.168  11.380  -1.373329      17.04467 
1 1 1 -24 21  34 f 15.430  7.4884  -39.1363   87.768   -299.9066  253.986  -3.7740    93.530   ?       ?       16.857  8.0653  0.000000       8.065268 
1 1 1 -24 21  35 o 14.930  7.2963  -50.3939   87.464   -224.5431  237.407  -23.0451   94.081   ?       ?       16.090  7.7954  0.000000       7.795445 
1 1 1 -24 21  36 o 17.536  8.3261  28.875     95.829   153.694    252.236  7.8203     103.596  20.396  10.316  17.100  8.2584  3.296383       13.21451 
1 1 1 -24 22  1  o 49.151  7.0952  351.518    82.167   351.101    114.042  351.969    118.489  44.527  10.691  43.917  11.111  0.6097450      15.41881 
1 1 1 -24 22  2  o 30.055  9.2809  152.182    74.486   140.882    104.877  163.684    105.807  27.710  10.807  29.340  10.998  -1.630238      15.41875 
1 1 1 -24 22  3  o 27.683  9.4499  130.262    76.179   159.954    109.105  102.019    106.411  28.926  11.092  25.154  10.489  3.772163       15.26611 
1 1 1 -24 22  4  o 18.979  8.7991  -11.9523   96.571   -52.2616   103.631  253.996    266.187  18.044  8.5934  29.957  14.119  -11.91287      16.52867 
1 1 1 -24 22  5  o 28.755  11.901  169.406    135.525  169.406    135.525  0.0000     0.0000   28.755  11.901  ?       ?       0.000000       11.90091 
1 1 1 -24 22  6  o 38.638  13.169  340.398    147.936  340.398    147.936  0.0000     0.0000   38.638  13.169  ?       ?       0.000000       13.16893 
1 1 1 -24 22  7  o 28.170  11.457  157.408    122.815  191.879    136.509  10.992     281.340  29.803  12.094  25.493  12.582  4.309721       17.45216 
1 1 1 -24 22  8  o 23.838  10.259  83.059     107.282  234.285    137.313  -153.8877  171.879  32.174  12.416  19.713  9.7487  12.46115       15.78600 
1 1 1 -24 22  9  o 70.574  5.3194  675.641    90.421   661.399    141.576  685.452    117.511  63.157  9.5354  68.206  7.2099  -5.048138      11.95437 
1 1 1 -24 22  10 f 57.701  6.1260  468.880    84.455   595.821    130.336  377.003    110.884  60.348  9.1913  46.527  10.111  13.82097       13.66421 
1 1 1 -24 22  11 o 66.713  5.7582  617.700    92.297   636.406    131.349  599.454    129.722  62.743  8.8753  60.486  9.1224  2.257370       12.72751 
1 1 1 -24 22  12 o 19.416  8.0736  44.275     62.792   14.188     97.504   65.595     82.079   19.731  9.0359  21.771  9.1541  -2.039845      12.86258 
1 1 1 -24 22  13 o 21.885  8.3250  74.120     61.151   -10.8535   98.689   127.078    77.910   18.687  8.7405  26.548  9.5198  -7.861330      12.92375 
1 1 1 -24 22  14 o 17.763  7.7615  23.103     63.363   100.891    97.731   -33.3080   83.225   24.006  10.035  16.585  7.8405  7.420734       12.73457 
1 1 1 -24 22  15 o 20.253  8.8336  47.339     81.752   238.305    208.295  12.565     88.885   27.875  12.923  18.826  8.6235  9.049414       15.53607 
1 1 1 -24 22  16 o 28.017  10.287  159.660    91.695   0.0000     0.0000   159.660    91.695   ?       ?       28.017  10.287  0.000000       10.28708 
1 1 1 -24 22  17 o 16.013  7.5939  -32.7398   79.249   0.0000     0.0000   -32.7398   79.249   ?       ?       16.013  7.5939  0.000000       7.593850 
1 1 1 -24 22  18 o 15.612  7.3510  -24.3718   71.829   0.0000     0.0000   -24.3718   71.829   ?       ?       15.612  7.3510  0.000000       7.351003 
1 1 1 -24 22  19 o 20.507  8.2150  66.932     62.103   17.139     105.086  93.655     76.986   19.261  9.0124  22.666  9.1228  -3.404436      12.82380 
1 1 1 -24 22  20 o 31.366  8.6909  177.434    68.426   225.664    97.168   129.988    96.374   31.899  10.674  24.536  10.083  7.363028       14.68315 
1 1 1 -24 22  21 o 13.000  6.1847  -34.6990   53.389   -44.1251   82.317   -27.8546   70.144   15.460  7.4406  15.043  7.1369  0.4169722      10.31005 
1 1 1 -24 22  22 o 29.719  8.9691  169.613    70.088   256.873    101.706  90.698     96.720   33.124  10.914  21.695  9.5315  11.42914       14.49003 
1 1 1 -24 22  23 o 18.429  7.7922  48.990     60.009   94.946     89.846   11.978     80.630   21.731  9.3697  17.249  8.0118  4.481874       12.32798 
1 1 1 -24 22  24 o 29.846  8.9486  175.258    69.938   247.559    100.440  107.210    97.441   31.679  10.851  22.086  9.6383  9.592566       14.51325 
1 1 1 -24 22  25 f 19.125  8.0558  60.273     63.744   103.282    90.165   17.299     90.129   21.821  9.3975  17.673  8.2940  4.147509       12.53409 
1 1 1 -24 22  26 o 33.941  8.4502  213.526    69.322   198.467    94.956   230.710    101.437  27.921  10.428  29.589  10.826  -1.668026      15.03164 
1 1 1 -24 22  27 o 24.028  9.9126  144.478    93.592   240.468    104.881  -230.7812  207.372  29.719  10.987  ?       ?       0.000000       10.98673 
1 1 1 -24 22  28 o 12.926  6.4198  -104.8994  77.618   -145.3140  85.472   85.193     185.368  12.735  6.3870  20.757  10.239  -8.022285      12.06758 
1 1 1 -24 22  29 o 17.097  8.0649  9.2021     87.181   -50.9389   94.879   335.351    220.950  15.592  7.6156  24.793  11.996  -9.201074      14.20881 
1 1 1 -24 22  30 o 14.443  6.7971  -14.3821   61.262   -54.1945   84.818   29.039     88.579   14.874  7.2505  17.985  8.3683  -3.111345      11.07235 
1 1 1 -24 22  31 o 15.618  7.2217  4.8144     64.430   -26.0734   86.117   44.086     97.104   15.814  7.6109  18.831  8.7617  -3.016286      11.60575 
1 1 1 -24 22  32 o 16.126  7.7929  -25.9961   92.589   220.240    247.967  -65.8894   99.808   22.312  11.144  15.460  7.6041  6.851252       13.49098 
1 1 1 -24 22  33 o 16.936  8.0968  1.8094     93.859   45.661     255.238  -5.0478    100.931  20.160  10.216  17.017  8.2020  3.142597       13.10087 
1 1 1 -24 22  34 o 13.239  6.5916  -105.0146  83.895   -44.0169   230.564  -114.3231  90.069   18.807  9.5484  13.501  6.7391  5.305722       11.68704 
1 1 1 -24 22  35 o 20.568  9.3165  108.996    100.104  -29.2506   252.791  134.707    109.016  ?       ?       21.451  9.7191  0.000000       9.719125 
1 1 1 -24 23  1  o 35.989  8.9395  213.250    77.712   119.657    110.863  303.664    108.963  25.900  10.745  40.482  10.866  -14.58134      15.28150 
1 1 1 -24 23  2  o 19.358  8.2809  35.692     69.150   18.881     96.881   53.152     98.731   20.150  9.1425  21.922  9.6306  -1.772058      13.27908 
1 1 1 -24 23  3  o 21.654  9.6534  44.876     102.796  58.575     112.573  -23.8696   252.184  22.673  10.105  24.265  11.964  -1.592203      15.66064 
1 1 1 -24 23  4  o 26.272  11.266  128.827    128.551  128.827    128.551  0.0000     0.0000   26.272  11.266  ?       ?       0.000000       11.26585 
1 1 1 -24 23  5  o 31.666  12.427  233.439    139.350  233.439    139.350  0.0000     0.0000   31.666  12.427  ?       ?       0.000000       12.42687 
1 1 1 -24 23  6  o 36.809  13.102  325.755    147.325  325.755    147.325  0.0000     0.0000   36.809  13.102  ?       ?       0.000000       13.10241 
1 1 1 -24 23  7  o 35.487  10.107  228.602    91.226   269.016    143.461  201.167    118.202  33.309  12.732  30.609  11.591  2.699863       17.21787 
1 1 1 -24 23  8  o 59.367  5.7826  491.268    82.241   618.325    131.941  410.539    105.171  61.226  9.1630  50.035  8.9934  11.19156       12.83910 
1 1 1 -24 23  9  o 68.517  5.5342  648.010    91.221   790.237    141.552  546.989    119.297  70.419  8.4533  58.135  8.7268  12.28436       12.14971 
1 1 1 -24 23  10 o 25.448  8.5787  109.120    62.772   23.092     113.137  147.381    75.450   20.744  9.5841  28.652  9.3982  -7.908344      13.42317 
1 1 1 -24 23  11 o 18.880  7.8777  41.455     60.077   -100.8164  98.624   125.393    75.754   15.768  7.7148  26.337  9.3932  -10.56893      12.15529 
1 1 1 -24 23  12 o 20.119  8.1298  56.692     61.399   128.729    99.252   12.034     78.147   25.631  10.344  18.121  8.2179  7.509768       13.21079 
1 1 1 -24 23  13 f 27.209  10.028  145.830    87.250   224.135    212.847  130.015    95.656   27.142  12.740  25.624  10.219  1.518000       16.33218 
1 1 1 -24 23  14 o 14.243  6.8072  -46.6853   66.226   -55.2290   198.962  -45.6208   70.231   21.150  10.465  14.707  7.0234  6.443378       12.60295 
1 1 1 -24 23  15 o 15.428  7.2885  -29.5529   71.706   0.0000     0.0000   -29.5529   71.706   ?       ?       15.428  7.2885  0.000000       7.288531 
1 1 1 -24 23  16 o 23.672  9.6538  107.903    87.504   0.0000     0.0000   107.903    87.504   ?       ?       23.672  9.6538  0.000000       9.653806 
1 1 1 -24 23  17 o 22.786  9.7125  98.620     94.520   0.0000     0.0000   98.620     94.520   ?       ?       22.786  9.7125  0.000000       9.712451 
1 1 1 -24 23  18 o 31.164  9.0586  181.980    72.590   142.414    117.471  206.420    92.326   24.551  10.649  30.760  10.404  -6.209557      14.88786 
1 1 1 -24 23  19 o 19.136  8.0139  53.914     62.495   70.578     95.998   41.657     82.331   20.849  9.3091  19.034  8.5509  1.815247       12.64032 
1 1 1 -24 23  20 f 24.966  8.8211  121.632    66.657   122.064    100.099  121.288    89.349   23.347  9.9744  23.633  9.7098  -0.2859001     13.92005 
1 1 1 -24 23  21 o 13.995  6.5884  -20.4953   57.658   48.090     91.074   -66.3720   74.485   19.281  8.7929  13.884  6.7738  5.397529       11.09957 
1 1 1 -24 23  22 o 25.375  8.8420  130.087    66.827   111.438    100.623  144.803    89.386   22.219  9.7426  24.740  9.8748  -2.521288      13.87190 
1 1 1 -24 23  23 o 31.635  9.0198  198.348    72.614   97.605     107.990  281.490    98.104   21.249  9.6455  34.735  10.639  -13.48648      14.36030 
1 1 1 -24 23  24 o 21.158  8.6514  89.621     70.508   134.948    106.850  54.661     93.839   22.839  10.026  19.162  8.8080  3.676935       13.34576 
1 1 1 -24 23  25 o 22.683  8.7007  107.138    67.144   57.235     101.266  146.288    89.695   19.297  8.9683  24.252  9.8169  -4.954947      13.29673 
1 1 1 -24 23  26 o 15.443  7.4348  -26.8951   82.368   -18.6937   91.321   -62.6756   190.744  16.231  7.8178  18.522  9.3219  -2.290768      12.16621 
1 1 1 -24 23  27 o 18.728  8.5663  51.090     87.262   46.766     96.921   69.598     200.526  18.749  8.7338  20.351  10.142  -1.601982      13.38414 
1 1 1 -24 23  28 o 22.983  8.7421  111.110    67.428   217.346    93.703   -2.9731    97.102   29.267  10.446  17.010  8.1596  12.25652       13.25515 
1 1 1 -24 23  29 o 15.743  7.1930  12.542     61.306   129.283    82.084   -134.7169  92.191   23.551  9.4409  13.443  6.7263  10.10785       11.59194 
1 1 1 -24 23  30 o 18.630  8.0363  56.108     66.156   -2.2174    91.480   120.056    95.788   16.795  8.0193  22.257  9.6353  -5.461720      12.53586 
1 1 1 -24 23  31 f 19.468  8.9500  66.273     96.931   82.018     252.749  63.558     104.957  20.512  10.370  19.440  9.0667  1.071640       13.77494 
1 1 1 -24 23  32 o 19.148  8.9427  61.961     102.676  -0.0003    238.331  76.081     113.776  19.401  9.8354  19.731  9.2785  -0.3298798     13.52127 
1 1 1 -24 23  33 o 15.193  7.4580  -48.3940   94.498   -84.2313   232.460  -41.2994   103.430  ?       ?       15.814  7.7707  0.000000       7.770657 
1 1 1 -24 23  34 o 19.279  8.9517  84.089     100.525  380.216    253.641  28.907     109.491  22.062  11.056  17.531  8.4723  4.531635       13.92905 
1 1 1 -24 24  1  o 20.902  9.4859  32.793     104.377  11.180     112.741  162.449    276.134  20.425  9.4827  26.781  13.061  -6.356161      16.14047 
1 1 1 -24 24  2  o 35.106  11.720  262.522    117.142  294.064    128.032  100.416    290.250  36.298  12.252  25.867  12.769  10.43119       17.69592 
1 1 1 -24 24  3  o 22.179  10.025  53.657     115.183  53.657     115.183  0.0000     0.0000   22.179  10.025  ?       ?       0.000000       10.02470 
1 1 1 -24 24  4  o 30.793  11.950  218.200    127.763  218.200    127.763  0.0000     0.0000   30.793  11.950  ?       ?       0.000000       11.95046 
1 1 1 -24 24  5  o 23.892  10.766  88.283     131.662  88.283     131.662  0.0000     0.0000   23.892  10.766  ?       ?       0.000000       10.76588 
1 1 1 -24 24  6  o 35.267  9.2025  215.062    79.581   232.594    115.273  199.097    110.002  32.563  11.590  30.462  11.254  2.100628       16.15463 
1 1 1 -24 24  7  o 30.309  8.6598  156.051    66.860   170.336    117.197  149.159    81.408   27.956  11.255  28.240  9.7637  -0.2838364     14.89955 
1 1 1 -24 24  8  o 42.530  7.0600  272.658    70.300   159.053    120.215  331.699    86.664   27.027  11.199  45.587  8.1331  -18.56057      13.84069 
1 1 1 -24 24  9  o 48.314  6.6753  345.353    76.165   434.339    120.996  286.950    98.023   48.039  10.659  39.160  10.211  8.878986       14.76055 
1 1 1 -24 24  10 o 19.319  7.8406  50.454     57.375   150.667    105.216  8.0435     68.448   26.669  10.689  17.086  7.7249  9.582788       13.18861 
1 1 1 -24 24  11 o 10.869  5.3953  -102.9628  54.552   -206.3360  169.565  -91.0284   57.615   17.870  8.9670  11.638  5.7343  6.232086       10.64369 
1 1 1 -24 24  12 o 15.859  7.3991  -16.2906   69.994   202.713    199.309  -47.1003   74.756   26.147  12.291  15.036  7.1986  11.11106       14.24381 
1 1 1 -24 24  13 o 24.108  9.6207  112.469    84.830   149.246    210.371  105.327    92.701   24.521  11.824  23.473  9.7892  1.047102       15.35039 
1 1 1 -24 24  14 o 26.280  9.8465  142.234    84.799   -54.8083   214.403  178.773    92.327   20.919  10.435  28.751  10.358  -7.831959      14.70237 
1 1 1 -24 24  15 o 17.357  7.8823  15.656     72.222   0.0000     0.0000   15.656     72.222   ?       ?       17.357  7.8823  0.000000       7.882256 
1 1 1 -24 24  16 o 22.902  9.8143  106.631    97.445   0.0000     0.0000   106.631    97.445   ?       ?       22.902  9.8143  0.000000       9.814345 
1 1 1 -24 24  17 o 19.795  8.7255  57.137     81.669   -41.6703   219.943  72.939     87.958   20.486  10.271  20.797  9.1143  -0.3106575     13.73156 
1 1 1 -24 24  18 f 23.586  8.4275  104.676    61.005   72.910     84.005   140.124    88.739   20.571  8.9639  24.920  9.8729  -4.349215      13.33507 
1 1 1 -24 24  19 o 53.911  6.4991  449.709    83.301   379.009    114.641  528.792    121.248  40.506  11.259  51.578  10.050  -11.07200      15.09135 
1 1 1 -24 24  20 o 23.082  8.5679  105.310    63.912   126.811    97.594   89.166     84.569   23.086  9.8556  21.143  9.1035  1.942915       13.41664 
1 1 1 -24 24  21 o 18.794  8.1290  55.836     68.060   35.426     100.275  73.270     92.677   18.613  8.7393  20.075  9.0405  -1.461929      12.57406 
1 1 1 -24 24  22 o 27.067  9.1288  156.147    71.081   137.699    106.306  171.064    95.593   22.884  10.025  25.541  10.206  -2.656326      14.30588 
1 1 1 -24 24  23 o 18.402  8.1007  52.396     70.170   52.259     104.076  52.510     95.013   19.051  8.9315  18.902  8.7508  0.1483097      12.50391 
1 1 1 -24 24  24 o 21.238  8.6518  93.949     70.184   6.3720     104.222  166.619    94.938   17.468  8.3984  24.982  10.104  -7.514095      13.13883 
1 1 1 -24 24  25 o 24.013  10.345  169.163    109.337  91.314     117.493  672.191    298.662  20.406  9.5423  26.060  12.881  -5.654099      16.03019 
1 1 1 -24 24  26 o 17.673  8.1660  33.804     82.164   22.035     88.862   103.163    215.723  17.415  8.1927  20.595  10.302  -3.179781      13.16270 
1 1 1 -24 24  27 o 16.590  7.3246  31.584     57.778   42.603     81.712   20.565     81.709   18.090  8.2799  17.101  7.9837  0.9893856      11.50199 
1 1 1 -24 24  28 o 14.755  6.8171  1.3938     57.241   0.2979     80.772   2.4994     81.131   16.262  7.6985  16.366  7.7383  -0.1047478     10.91547 
1 1 1 -24 24  29 o 18.674  7.7795  59.606     58.457   -91.2898   83.004   208.106    82.342   13.589  6.7300  30.100  9.8154  -16.51083      11.90101 
1 1 1 -24 24  30 o 23.842  10.141  161.740    102.660  386.170    262.897  121.360    111.514  23.355  11.635  21.481  9.7705  1.873762       15.19297 
1 1 1 -24 24  31 o 21.482  9.6229  123.067    103.472  368.019    264.711  78.890     112.416  22.645  11.340  19.591  9.2159  3.054064       14.61290 
1 1 1 -24 24  32 o 15.565  7.5581  -20.8719   89.742   -59.1337   233.491  -14.2400   97.209   ?       ?       16.092  7.8258  0.000000       7.825834 
1 1 1 -24 24  33 o 16.205  7.8282  4.6706     93.227   93.188     243.453  -10.5400   100.919  19.014  9.6689  16.050  7.8424  2.963884       12.44956 
1 1 1 -24 25  1  o 24.350  10.474  108.422    111.719  -36.7965   122.388  834.088    273.588  19.057  9.1464  43.599  17.316  -24.54213      19.58290 
1 1 1 -24 25  2  o 35.478  11.876  282.275    120.296  297.295    131.477  205.058    298.101  35.198  12.394  26.434  13.028  8.764009       17.98176 
1 1 1 -24 25  3  o 23.074  10.301  82.940     117.505  82.940     117.505  0.0000     0.0000   23.074  10.301  ?       ?       0.000000       10.30095 
1 1 1 -24 25  4  o 15.574  7.5909  -86.4949   92.873   -86.4949   92.873   0.0000     0.0000   15.574  7.5909  ?       ?       0.000000       7.590868 
1 1 1 -24 25  5  o 20.114  8.8081  46.182     82.009   84.669     127.447  18.985     107.135  23.142  10.495  19.965  9.2602  3.177341       13.99606 
1 1 1 -24 25  6  o 21.150  7.8783  70.360     54.131   52.499     106.443  76.590     62.868   21.249  9.6178  21.774  8.4016  -0.5246181     12.77065 
1 1 1 -24 25  7  o 73.683  5.3048  753.209    94.208   464.025    143.187  973.943    125.098  45.091  12.600  81.628  6.3664  -36.53626      14.11698 
1 1 1 -24 25  8  o 38.513  7.9210  240.210    71.549   261.869    119.784  228.196    89.213   33.021  11.808  34.287  10.064  -1.265747      15.51517 
1 1 1 -24 25  9  f 27.571  8.6090  134.933    63.890   158.930    116.312  124.563    76.458   26.250  10.958  25.528  9.3905  0.7215405      14.43095 
1 1 1 -24 25  10 o 33.247  9.9552  217.444    86.598   273.388    213.927  206.481    94.704   27.209  12.772  31.092  10.537  -3.882292      16.55742 
1 1 1 -24 25  11 o 20.104  8.4285  60.307     69.250   77.642     202.914  58.022     73.673   22.809  11.140  20.062  8.5637  2.746546       14.05095 
1 1 1 -24 25  12 o 16.481  7.5431  4.8246     67.809   -48.2267   199.523  11.752     72.101   20.500  10.200  17.151  7.8224  3.348949       12.85415 
1 1 1 -24 25  13 o 21.839  8.4761  84.660     64.278   92.110     100.115  79.436     83.840   22.130  9.7104  21.359  9.1269  0.7706165      13.32639 
1 1 1 -24 25  14 o 21.665  8.7934  85.685     72.176   0.0000     0.0000   85.685     72.176   ?       ?       21.665  8.7934  0.000000       8.793417 
1 1 1 -24 25  15 o 20.128  9.0029  61.812     90.210   0.0000     0.0000   61.812     90.210   ?       ?       20.128  9.0029  0.000000       9.002933 
1 1 1 -24 25  16 o 22.844  9.5096  111.490    87.253   0.0000     0.0000   111.490    87.253   ?       ?       22.844  9.5096  0.000000       9.509567 
1 1 1 -24 25  17 o 30.030  9.2870  183.662    74.552   245.580    109.884  130.850    101.483  30.145  11.226  23.333  10.008  6.812374       15.03884 
1 1 1 -24 25  18 o 10.712  5.2996  -81.9515   50.998   -34.8356   71.937   -129.5570  72.310   14.573  6.9992  11.918  5.9624  2.654925       9.194501 
1 1 1 -24 25  19 o 16.476  7.3563  25.613     59.946   1.6597     84.776   49.567     84.777   16.683  7.8947  18.737  8.5209  -2.053965      11.61608 
1 1 1 -24 25  20 o 28.498  9.0187  169.041    69.881   109.044    106.511  214.386    92.596   21.384  9.6552  29.128  10.385  -7.744041      14.18026 
1 1 1 -24 25  21 o 20.992  8.4814  89.683     66.814   107.018    101.909  76.613     88.486   21.202  9.5199  19.842  8.8928  1.359684       13.02732 
1 1 1 -24 25  22 o 19.910  8.3260  77.247     67.323   140.978    103.957  31.212     88.354   22.676  9.9239  17.687  8.2722  4.988705       12.91948 
1 1 1 -24 25  23 o 21.963  9.7772  129.082    105.052  103.734    112.612  299.082    291.634  20.714  9.5675  21.914  11.085  -1.200039      14.64274 
1 1 1 -24 25  24 o 12.731  6.3889  -139.3439  86.144   -108.9011  89.905   -480.6108  301.015  13.626  6.7904  ?       ?       0.000000       6.790421 
1 1 1 -24 25  25 o 18.104  8.5315  37.273     97.131   81.854     102.175  -381.1117  313.009  19.890  9.1607  ?       ?       0.000000       9.160700 
1 1 1 -24 25  26 o 10.913  5.4341  -96.8576   57.109   -84.1958   87.485   -106.2596  75.386   14.029  6.9407  12.544  6.2459  1.484819       9.337269 
1 1 1 -24 25  27 o 14.201  6.6432  -7.4480    57.031   -47.7304   84.715   25.940     77.126   14.801  7.2218  17.054  7.8911  -2.252721      10.69695 
1 1 1 -24 25  28 f 24.834  8.7831  132.852    66.099   137.263    95.813   128.847    91.305   22.746  9.7392  22.473  9.5618  0.2731037      13.64845 
1 1 1 -24 25  29 o 18.242  8.3628  51.066     83.825   -196.0548  247.647  83.042     89.083   ?       ?       19.817  8.8991  0.000000       8.899084 
1 1 1 -24 25  30 o 15.621  7.4769  -6.2011    80.568   -60.3045   251.248  0.0000     85.060   ?       ?       16.057  7.6849  0.000000       7.684907 
1 1 1 -24 25  31 o 13.180  6.5123  -71.5099   76.118   52.875     247.230  -84.5352   80.004   ?       ?       13.150  6.5286  0.000000       6.528648 
1 1 1 -24 25  32 o 19.415  8.9406  99.226     97.286   0.0000     0.0000   99.226     97.286   ?       ?       19.415  8.9406  0.000000       8.940626 
1 1 1 -24 26  1  o 36.211  11.632  294.521    115.918  0.0000     0.0000   294.521    115.918  ?       ?       36.211  11.632  0.000000       11.63218 
1 1 1 -24 26  2  o 29.053  11.122  194.251    109.571  194.251    109.571  0.0000     0.0000   29.053  11.122  ?       ?       0.000000       11.12174 
1 1 1 -24 26  3  o 16.662  8.1924  -101.4759  115.549  -101.4759  115.549  0.0000     0.0000   16.662  8.1924  ?       ?       0.000000       8.192436 
1 1 1 -24 26  4  o 34.775  12.542  317.843    135.433  317.843    135.433  0.0000     0.0000   34.775  12.542  ?       ?       0.000000       12.54231 
1 1 1 -24 26  5  o 23.178  9.3743  99.007     81.712   152.027    128.313  62.837     105.979  25.418  11.077  21.312  9.6260  4.105776       14.67520 
1 1 1 -24 26  6  o 19.004  7.9526  48.165     61.481   86.810     116.011  33.073     72.499   22.429  10.106  18.508  8.1863  3.921555       13.00584 
1 1 1 -24 26  7  o 13.693  6.4218  -24.0912   53.883   -50.3243   100.912  -13.6286   63.729   16.823  8.1310  15.264  7.1010  1.558082       10.79523 
1 1 1 -24 26  8  o 16.506  7.4025  13.700     61.418   -9.2089    191.124  16.339     64.858   20.986  10.360  16.921  7.5964  4.065172       12.84663 
1 1 1 -24 26  9  o 16.968  7.7447  10.694     70.848   231.281    199.146  -21.2694   75.807   25.721  12.150  15.876  7.4983  9.845516       14.27750 
1 1 1 -24 26  10 o 22.094  9.1052  90.972     78.863   361.473    208.646  45.886     85.182   28.563  13.131  19.431  8.7156  9.132023       15.76026 
1 1 1 -24 26  11 o 18.472  8.1935  38.654     73.131   173.276    203.767  18.750     78.350   23.812  11.521  17.670  8.0951  6.141605       14.08025 
1 1 1 -24 26  12 o 27.363  8.8669  144.777    67.245   109.264    112.279  164.639    83.970   22.503  10.056  27.411  9.8774  -4.907703      14.09570 
1 1 1 -24 26  13 o 16.629  7.5807  14.444     67.619   -118.4855  126.232  67.936     80.077   16.232  8.0823  20.161  8.7689  -3.928894      11.92552 
1 1 1 -24 26  14 o 11.773  5.8724  -118.8812  67.908   0.0000     0.0000   -118.8812  67.908   ?       ?       11.773  5.8724  0.000000       5.872437 
1 1 1 -24 26  15 o 30.848  10.991  246.286    103.697  0.0000     0.0000   246.286    103.697  ?       ?       30.848  10.991  0.000000       10.99122 
1 1 1 -24 26  16 o 32.264  8.9051  203.756    71.997   242.118    111.397  176.236    94.351   29.033  11.189  26.272  10.249  2.760525       15.17361 
1 1 1 -24 26  17 o 29.113  8.4784  163.858    63.534   212.946    85.035   101.830    95.588   30.389  9.9778  21.287  9.4085  9.102407       13.71412 
1 1 1 -24 26  18 o 18.921  7.7911  62.506     57.684   93.470     86.581   37.791     77.353   20.788  9.0782  17.730  8.0925  3.058136       12.16148 
1 1 1 -24 26  19 o 16.010  7.1284  25.503     55.868   35.827     86.549   18.128     73.150   17.812  8.2825  16.514  7.6567  1.298603       11.27940 
1 1 1 -24 26  20 o 18.154  7.4822  55.709     53.262   -25.3991   89.386   100.361    66.322   15.670  7.5937  21.691  8.5536  -6.020326      11.43802 
1 1 1 -24 26  21 o 13.777  6.5586  -20.9914   60.236   33.907     92.800   -60.9628   79.185   17.751  8.3572  13.944  6.8412  3.806423       10.80023 
1 1 1 -24 26  22 o 22.454  10.081  153.393    114.226  174.012    122.300  12.529     319.660  22.978  10.363  ?       ?       0.000000       10.36308 
1 1 1 -24 26  23 o 17.808  8.5327  27.361     105.535  25.223     113.598  40.839     285.212  17.933  8.6576  ?       ?       0.000000       8.657586 
1 1 1 -24 26  24 o 21.298  9.7405  124.823    112.775  130.233    120.387  86.054     322.252  21.332  9.8665  ?       ?       0.000000       9.866543 
1 1 1 -24 26  25 o 16.200  7.3556  24.090     62.859   111.228    94.024   -46.3288   84.524   21.228  9.3594  14.733  7.1944  6.494207       11.80496 
1 1 1 -24 26  26 o 16.980  7.5701  37.217     63.227   70.614     94.664   10.320     84.954   19.257  8.8500  16.596  7.8679  2.661482       11.84177 
1 1 1 -24 26  27 o 29.226  8.7166  176.232    66.487   152.472    93.932   200.089    94.123   23.475  9.8274  26.773  10.294  -3.297152      14.23175 
1 1 1 -24 26  28 o 12.243  6.1154  -110.6816  74.760   -436.7787  212.509  -64.6238   79.865   ?       ?       13.777  6.7811  0.000000       6.781061 
1 1 1 -24 26  29 o 19.889  8.8579  93.497     86.333   -362.2795  253.673  153.203    91.814   ?       ?       23.085  9.6929  0.000000       9.692900 
1 1 1 -24 26  30 o 20.192  9.0315  108.875    90.789   -90.2334   261.827  136.088    96.795   ?       ?       21.321  9.4434  0.000000       9.443369 
1 1 1 -24 27  1  o 17.186  8.2929  -42.8408   103.906  -51.9797   111.868  14.594     280.444  17.400  8.4465  22.479  11.312  -5.078949      14.11753 
1 1 1 -24 27  2  o 47.590  12.412  524.999    144.809  524.999    144.809  0.0000     0.0000   47.590  12.412  ?       ?       0.000000       12.41156 
1 1 1 -24 27  3  o 19.566  9.3205  11.019     122.064  11.019     122.064  0.0000     0.0000   19.566  9.3205  ?       ?       0.000000       9.320500 
1 1 1 -24 27  4  o 17.404  8.0073  10.317     77.784   68.332     123.688  -27.6363   100.042  21.413  9.9382  17.307  8.2968  4.105690       12.94621 
1 1 1 -24 27  5  o 17.033  7.6412  19.253     65.500   115.542    120.233  -21.3843   78.108   23.168  10.376  16.011  7.5771  7.156879       12.84791 
1 1 1 -24 27  6  o 18.760  8.3983  38.319     78.688   164.941    234.785  22.296     83.518   23.642  11.635  18.177  8.3385  5.464790       14.31442 
1 1 1 -24 27  7  o 27.552  9.5258  156.479    77.490   -95.1333   205.448  198.211    83.670   19.597  9.8388  30.824  9.8806  -11.22651      13.94371 
1 1 1 -24 27  8  f 13.676  6.5081  -33.0877   59.195   62.558     190.799  -43.2745   62.268   21.535  10.576  13.584  6.5208  7.950675       12.42476 
1 1 1 -24 27  9  o 17.688  7.8019  34.126     65.396   28.897     211.665  34.678     68.760   21.024  10.468  17.884  7.9384  3.139326       13.13730 
1 1 1 -24 27  10 o 16.611  7.2509  27.661     55.176   92.925     102.979  1.3796     65.348   21.530  9.6254  15.759  7.2820  5.771540       12.06961 
1 1 1 -24 27  11 o 16.513  7.3615  22.987     59.781   -36.4813   113.759  45.676     70.265   17.212  8.3918  18.426  8.1090  -1.214315      11.66954 
1 1 1 -24 27  12 o 30.867  9.0842  190.057    72.598   265.506    124.112  150.814    89.508   29.337  11.659  25.068  9.9206  4.268778       15.30853 
1 1 1 -24 27  13 o 19.363  8.5452  62.279     78.558   0.0000     0.0000   62.279     78.558   ?       ?       19.363  8.5452  0.000000       8.545225 
1 1 1 -24 27  14 o 23.677  9.3182  127.816    78.562   0.0000     0.0000   127.816    78.562   ?       ?       23.677  9.3182  0.000000       9.318219 
1 1 1 -24 27  15 o 25.377  9.0593  140.797    70.480   105.100    115.257  162.117    89.074   21.000  9.6923  25.221  9.9233  -4.220737      13.87130 
1 1 1 -24 27  16 o 20.108  7.9498  77.044     57.427   85.554     83.628   69.451     78.996   20.230  8.8759  19.331  8.5482  0.8986835      12.32292 
1 1 1 -24 27  17 o 16.809  7.9124  16.914     83.111   16.382     85.387   26.511     362.398  16.881  7.9686  ?       ?       0.000000       7.968568 
1 1 1 -24 27  18 o 15.590  6.9924  22.028     54.819   106.734    82.577   -44.7133   73.300   21.250  9.0686  13.952  6.7876  7.298445       11.32743 
1 1 1 -24 27  19 o 19.597  7.9721  75.135     59.487   211.832    90.443   -29.0936   78.974   28.155  10.235  14.808  7.1662  13.34672       12.49432 
1 1 1 -24 27  20 o 27.545  8.8054  162.678    66.486   214.469    101.239  123.403    88.162   26.650  10.549  21.868  9.3522  4.782003       14.09801 
1 1 1 -24 27  21 o 18.621  8.7424  59.548     100.327  68.836     107.038  -7.6331    287.867  19.001  8.9550  ?       ?       0.000000       8.954990 
1 1 1 -24 27  22 o 23.911  10.359  185.999    110.864  162.170    117.817  370.191    327.558  22.383  10.126  ?       ?       0.000000       10.12598 
1 1 1 -24 27  23 o 17.638  7.8455  48.331     67.502   105.532    104.409  7.2515     88.480   20.457  9.3619  16.489  7.8770  3.968517       12.23487 
1 1 1 -24 27  24 o 25.527  9.0353  148.348    69.963   151.280    106.684  146.136    92.675   22.522  9.9477  23.061  9.7134  -0.5394096     13.90348 
1 1 1 -24 27  25 o 12.731  6.1911  -47.3070   60.820   25.406     92.309   -103.0907  80.852   17.254  8.1862  12.934  6.4444  4.320220       10.41844 
1 1 1 -24 27  26 o 16.811  7.8970  24.736     82.051   22.792     225.184  25.034     88.108   18.877  9.5687  17.019  8.0522  1.857725       12.50589 
1 1 1 -24 27  27 o 18.823  8.6204  72.484     88.757   269.597    234.174  39.417     95.913   21.155  10.605  17.581  8.3422  3.573765       13.49259 
1 1 1 -24 27  28 o 22.329  9.6136  150.452    94.303   226.230    242.436  136.943    102.365  20.135  10.178  21.168  9.5199  -1.033287      13.93597 
1 1 1 -24 27  29 o 18.278  8.3860  73.198     84.516   -248.5532  235.438  120.793    90.551   ?       ?       20.460  9.0945  0.000000       9.094478 
1 1 1 -24 28  1  f 19.040  9.0350  16.415     112.521  16.415     112.521  0.0000     0.0000   19.040  9.0350  ?       ?       0.000000       9.035034 
1 1 1 -24 28  2  o 20.148  9.5479  42.002     124.836  42.002     124.836  0.0000     0.0000   20.148  9.5479  ?       ?       0.000000       9.547945 
1 1 1 -24 28  3  o 14.560  7.0525  -54.4936   76.897   31.077     120.108  -113.9339  100.104  19.634  9.3219  14.816  7.3471  4.817248       11.86917 
1 1 1 -24 28  4  o 22.012  9.0515  94.620     77.723   -109.3321  229.422  121.062    82.608   19.650  9.9299  23.815  9.4969  -4.164356      13.74028 
1 1 1 -24 28  5  o 30.301  9.9520  199.282    84.593   57.559     240.738  219.247    90.355   21.486  10.768  31.281  10.286  -9.794624      14.89125 
1 1 1 -24 28  6  o 25.756  9.6044  145.878    80.494   28.279     241.780  160.537    85.364   21.019  10.568  26.552  9.8928  -5.533043      14.47576 
1 1 1 -24 28  7  o 19.383  8.4530  59.336     74.835   -227.9034  237.908  90.878     78.837   ?       ?       21.446  8.9921  0.000000       8.992121 
1 1 1 -24 28  8  o 17.431  7.4068  40.756     54.657   -5.7618    103.192  58.896     64.439   17.498  8.3982  19.089  8.0732  -1.591581      11.64927 
1 1 1 -24 28  9  o 21.110  8.2329  84.150     60.865   4.7230     112.488  117.030    72.375   18.063  8.6942  23.471  9.0261  -5.408535      12.53238 
1 1 1 -24 28  10 o 31.492  8.7986  193.660    69.827   291.916    122.661  146.552    84.932   30.701  11.764  24.787  9.7091  5.913757       15.25307 
1 1 1 -24 28  11 o 32.566  8.8157  207.809    71.365   153.827    117.866  239.052    89.670   23.139  10.325  31.965  10.227  -8.826061      14.53216 
1 1 1 -24 28  12 o 16.363  7.6444  10.646     75.118   0.0000     0.0000   10.646     75.118   ?       ?       16.363  7.6444  0.000000       7.644351 
1 1 1 -24 28  13 o 14.936  7.0844  -11.9274   69.037   0.0000     0.0000   -11.9274   69.037   ?       ?       14.936  7.0844  0.000000       7.084421 
1 1 1 -24 28  14 o 21.137  9.2552  107.534    90.525   0.0000     0.0000   107.534    90.525   ?       ?       21.137  9.2552  0.000000       9.255220 
1 1 1 -24 28  15 o 22.315  9.8266  142.473    103.328  129.369    107.524  300.612    373.529  21.530  9.7128  ?       ?       0.000000       9.712804 
1 1 1 -24 28  16 o 19.349  8.7128  77.518     86.066   82.203     88.478   -4.9162    371.151  19.568  8.8207  ?       ?       0.000000       8.820682 
1 1 1 -24 28  17 o 10.786  5.3189  -67.8779   49.909   21.632     82.508   -119.5289  62.676   16.700  7.8679  10.862  5.4507  5.837988       9.571486 
1 1 1 -24 28  18 o 14.222  6.4921  8.2450     49.803   33.178     76.477   -10.1145   65.625   16.947  7.8475  14.491  6.8831  2.456701       10.43843 
1 1 1 -24 28  19 o 24.879  10.507  206.923    108.886  181.837    113.559  493.100    383.549  23.186  10.251  ?       ?       0.000000       10.25092 
1 1 1 -24 28  20 o 19.285  8.9056  81.941     97.493   77.000     100.831  152.889    382.090  19.078  8.8941  ?       ?       0.000000       8.894125 
1 1 1 -24 28  21 o 18.930  8.8252  72.794     99.292   119.828    104.511  -363.1859  318.193  20.795  9.4586  ?       ?       0.000000       9.458566 
1 1 1 -24 28  22 o 13.030  6.2443  -27.3012   56.572   -66.2301   91.339   -3.0740    72.056   14.431  7.1311  15.198  7.2171  -0.7663136     10.14588 
1 1 1 -24 28  23 o 9.1012  4.5989  -126.6508  49.151   -205.7141  92.380   -95.4323   58.049   11.947  6.0636  10.931  5.4489  1.016049       8.152204 
1 1 1 -24 28  24 o 9.3348  4.7041  -117.3442  49.415   -10.1794   88.352   -166.1266  59.610   15.751  7.6119  9.5805  4.8633  6.170850       9.032877 
1 1 1 -24 28  25 o 17.786  8.1137  53.372     77.624   -134.4137  223.140  79.225     82.796   ?       ?       19.109  8.5804  0.000000       8.580388 
1 1 1 -24 28  26 o 16.823  7.9721  30.396     87.031   367.608    248.813  -16.6143   92.900   21.465  10.783  15.530  7.5742  5.935680       13.17754 
1 1 1 -24 28  27 o 22.885  9.7761  170.374    96.141   163.418    261.281  171.464    103.395  ?       ?       22.339  9.8337  0.000000       9.833701 
1 1 1 -24 28  28 o 21.291  9.3222  145.593    91.834   -130.8633  260.382  184.867    98.141   ?       ?       22.941  9.8407  0.000000       9.840707 
1 1 1 -24 29  1  o 17.467  8.7827  -136.4761  167.185  -136.4761  167.185  0.0000     0.0000   17.467  8.7827  ?       ?       0.000000       8.782655 
1 1 1 -24 29  2  o 16.554  8.3689  -198.4613  164.416  -198.4613  164.416  0.0000     0.0000   16.554  8.3689  ?       ?       0.000000       8.368946 
1 1 1 -24 29  3  o 24.581  10.219  154.988    100.568  -217.9334  233.153  240.231    111.471  ?       ?       29.216  11.210  0.000000       11.20973 
1 1 1 -24 29  4  o 19.942  8.7054  70.953     79.550   80.599     233.753  69.689     84.599   21.056  10.561  19.905  8.8218  1.150776       13.76040 
1 1 1 -24 29  5  o 16.924  7.8897  13.352     79.342   222.566    236.874  -13.0865   84.206   22.704  11.266  16.154  7.7079  6.549826       13.65006 
1 1 1 -24 29  6  o 15.710  7.1261  14.486     58.811   -33.5122   126.079  27.834     66.487   17.435  8.5697  16.934  7.6386  0.5014629      11.47988 
1 1 1 -24 29  7  o 11.451  5.6822  -93.1451   60.294   -34.1359   124.043  -111.3998  68.992   17.259  8.4864  11.911  5.9376  5.348112       10.35734 
1 1 1 -24 29  8  o 18.359  7.9251  54.087     64.430   88.982     110.560  36.143     79.284   20.409  9.4452  17.730  8.1301  2.678871       12.46234 
1 1 1 -24 29  9  o 20.128  8.1697  78.527     62.301   175.305    116.586  39.844     73.707   23.783  10.456  17.640  7.9920  6.143003       13.16081 
1 1 1 -24 29  10 o 14.533  6.7787  -2.7165    58.686   -27.0581   112.494  6.3851     68.788   16.685  8.1793  15.672  7.3194  1.013165       10.97612 
1 1 1 -24 29  11 o 18.570  7.9367  61.504     63.421   190.873    129.605  20.774     72.722   23.290  10.570  16.460  7.6328  6.829168       13.03770 
1 1 1 -24 29  12 o 17.273  7.9706  36.107     77.892   0.0000     0.0000   36.107     77.892   ?       ?       17.273  7.9706  0.000000       7.970643 
1 1 1 -24 29  13 o 17.433  7.8831  44.686     71.311   0.0000     0.0000   44.686     71.311   ?       ?       17.433  7.8831  0.000000       7.883090 
1 1 1 -24 29  14 o 26.545  9.3359  169.578    74.582   102.631    111.924  223.048    100.026  19.966  9.3288  27.016  10.549  -7.050713      14.08236 
1 1 1 -24 29  15 o 15.230  7.0154  14.748     59.952   26.767     81.614   0.6607     88.357   16.737  7.8665  16.043  7.7180  0.6938496      11.02040 
1 1 1 -24 29  16 o 15.196  6.9568  17.059     57.729   69.370     89.796   -19.7926   75.368   18.614  8.5785  14.665  7.0730  3.948744       11.11837 
1 1 1 -24 29  17 o 18.805  7.8046  69.750     58.519   118.655    86.667   28.769     79.336   21.145  9.1596  16.671  7.8102  4.473608       12.03734 
1 1 1 -24 29  18 o 16.775  7.8503  31.229     79.791   51.948     81.633   -412.2707  377.682  17.723  8.1720  ?       ?       0.000000       8.171969 
1 1 1 -24 29  19 o 13.088  6.5368  -103.3846  85.289   -115.7963  87.558   126.883    377.135  12.997  6.5107  ?       ?       0.000000       6.510689 
1 1 1 -24 29  20 o 12.465  5.9840  -29.1022   52.445   -36.6887   84.458   -24.3410   66.908   14.666  7.1679  13.922  6.7023  0.7438154      9.813262 
1 1 1 -24 29  21 o 26.925  8.9158  163.675    67.844   204.452    107.463  136.653    87.481   24.627  10.421  22.268  9.4115  2.359287       14.04186 
1 1 1 -24 29  22 o 21.202  8.3808  100.639    63.810   -5.3925    106.615  159.819    79.651   16.464  8.0480  24.659  9.4723  -8.195229      12.42953 
1 1 1 -24 29  23 o 18.304  7.7417  64.397     59.264   8.6917     96.649   97.962     75.023   16.454  7.9538  20.279  8.6488  -3.825790      11.75012 
1 1 1 -24 29  24 o 14.347  6.8370  -8.1098    65.808   -103.4112  219.946  1.2606     68.967   ?       ?       14.921  7.0784  0.000000       7.078353 
1 1 1 -24 29  25 o 18.455  8.3616  75.889     80.692   271.657    253.526  53.823     85.118   19.901  10.095  17.447  8.1463  2.454266       12.97164 
1 1 1 -24 29  26 o 18.245  8.3598  78.400     83.613   124.530    234.302  71.668     89.506   ?       ?       17.903  8.3574  0.000000       8.357359 
1 1 1 -24 29  27 o 17.343  8.0582  66.109     81.666   -125.0509  233.458  92.763     87.174   ?       ?       18.446  8.4828  0.000000       8.482796 
1 1 1 -24 30  1  o 19.274  9.6134  7.4026     181.855  7.4026     181.855  0.0000     0.0000   19.274  9.6134  ?       ?       0.000000       9.613393 
1 1 1 -24 30  2  o 14.210  6.8915  -44.6457   73.999   -3.7512    194.139  -51.5970   80.041   19.205  9.6313  14.456  7.0460  4.749593       11.93354 
1 1 1 -24 30  3  o 15.822  7.3570  7.6008     68.282   -117.8042  205.981  23.083     72.374   18.039  9.1449  16.791  7.7247  1.247972       11.97082 
1 1 1 -24 30  4  f 14.083  6.6814  -18.6286   61.476   127.721    127.739  -62.7425   70.132   21.475  10.011  13.252  6.4882  8.223099       11.92976 
1 1 1 -24 30  5  o 46.026  7.9625  378.842    85.704   541.955    146.495  293.963    105.676  41.625  13.042  32.778  11.130  8.847107       17.14611 
1 1 1 -24 30  6  o 15.691  7.1967  15.309     62.172   -43.6378   129.420  32.993     70.888   16.888  8.3708  17.051  7.7686  -0.1622696     11.42023 
1 1 1 -24 30  7  o 20.265  8.4261  85.623     68.391   187.644    126.043  43.052     81.419   23.306  10.515  17.779  8.1844  5.527000       13.32468 
1 1 1 -24 30  8  o 22.052  8.4849  105.666    63.977   -51.5148   120.286  167.671    75.550   16.235  8.0510  26.544  9.3897  -10.30912      12.36874 
1 1 1 -24 30  9  o 13.042  6.2467  -27.2376   56.444   21.726     112.022  -43.8985   65.345   17.559  8.5069  13.225  6.4280  4.334406       10.66243 
1 1 1 -24 30  10 o 21.217  8.2634  96.991     61.254   117.130    109.298  87.770     73.960   20.543  9.4662  19.914  8.5424  0.6291618      12.75073 
1 1 1 -24 30  11 o 23.439  9.4982  149.339    84.062   0.0000     0.0000   149.339    84.062   ?       ?       23.439  9.4982  0.000000       9.498214 
1 1 1 -24 30  12 f 26.109  10.688  232.135    107.754  0.0000     0.0000   232.135    107.754  ?       ?       26.109  10.688  0.000000       10.68773 
1 1 1 -24 30  13 o 13.899  6.6744  -20.3742   65.356   -40.0113   105.452  -8.1272    83.278   15.516  7.6660  15.395  7.4273  0.1208515      10.67389 
1 1 1 -24 30  14 f 13.888  6.6104  -12.2386   61.146   21.882     88.782   -43.0273   84.336   16.570  7.9089  14.384  7.0574  2.186838       10.59989 
1 1 1 -24 30  15 o 11.417  5.6149  -60.8718   54.383   36.351     74.190   -173.7777  79.950   16.707  7.7338  11.318  5.7335  5.388464       9.627258 
1 1 1 -24 30  16 o 18.006  8.4273  60.750     91.978   47.367     94.701   283.498    386.351  17.536  8.3116  ?       ?       0.000000       8.311594 
1 1 1 -24 30  17 o 20.224  9.3021  119.635    104.881  91.994     108.835  479.493    392.693  19.118  9.0160  ?       ?       0.000000       9.016009 
1 1 1 -24 30  18 o 18.253  8.5462  66.296     94.753   77.470     97.743   -108.0284  386.065  18.682  8.7253  ?       ?       0.000000       8.725310 
1 1 1 -24 30  19 o 11.898  5.7288  -32.2048   48.928   -106.4155  76.363   19.480     63.729   12.289  6.1446  15.528  7.1811  -3.239873      9.451144 
1 1 1 -24 30  20 o 26.430  8.8237  159.452    66.402   215.073    98.616   113.318    89.813   25.933  10.365  20.496  9.0863  5.436846       13.78376 
1 1 1 -24 30  21 o 18.143  7.7004  63.828     58.960   -6.5416    88.851   119.196    78.813   15.602  7.5631  21.330  8.9695  -5.727968      11.73253 
1 1 1 -24 30  22 o 16.725  7.7394  39.387     74.200   81.298     236.219  34.799     78.156   ?       ?       16.614  7.7732  0.000000       7.773198 
1 1 1 -24 30  23 o 22.588  9.3688  150.426    84.252   124.165    250.477  153.776    89.465   ?       ?       22.317  9.4795  0.000000       9.479469 
1 1 1 -24 30  24 o 14.745  6.9927  7.0811     67.212   -89.0059   223.165  16.666     70.484   ?       ?       15.291  7.2245  0.000000       7.224498 
1 1 1 -24 30  25 o 15.590  7.2522  31.145     66.458   -295.8908  243.856  57.383     69.072   ?       ?       16.963  7.7055  0.000000       7.705518 
1 1 1 -24 31  1  o 17.698  8.9227  -62.6913   178.941  -62.6913   178.941  0.0000     0.0000   17.698  8.9227  ?       ?       0.000000       8.922677 
1 1 1 -24 31  2  o 20.780  8.6153  94.997     71.201   188.406    122.207  46.996     87.605   23.394  10.470  18.010  8.3606  5.383514       13.39849 
1 1 1 -24 31  3  o 13.318  6.2833  -14.3786   52.962   -240.1640  112.636  49.709     60.009   12.901  6.5618  17.558  7.6139  -4.657796      10.05128 
1 1 1 -24 31  4  o 11.395  5.6401  -78.9464   58.017   -70.3141   123.181  -81.4073   65.769   15.895  7.9255  12.119  5.9997  3.775893       9.940310 
1 1 1 -24 31  5  o 22.218  8.7536  115.051    69.401   186.038    126.230  84.297     83.086   22.647  10.337  19.542  8.6977  3.104622       13.50949 
1 1 1 -24 31  6  f 18.160  8.0328  60.439     69.814   92.985     132.372  47.897     82.172   19.405  9.3626  17.654  8.1607  1.750465       12.41993 
1 1 1 -24 31  7  o 21.805  8.7226  113.243    69.906   145.590    135.012  101.395    81.712   20.667  9.8333  20.336  8.8515  0.3314438      13.23040 
1 1 1 -24 31  8  f 19.965  8.3212  88.919     66.927   94.218     120.043  86.529     80.619   19.261  9.1941  19.406  8.6057  -0.1446323     12.59326 
1 1 1 -24 31  9  o 15.906  7.2748  27.542     62.918   84.861     113.055  1.8230     75.729   18.910  8.9974  15.334  7.3147  3.575715       11.59558 
1 1 1 -24 31  10 o 17.939  8.5318  58.001     101.446  0.0000     0.0000   58.001     101.446  ?       ?       17.939  8.5318  0.000000       8.531811 
1 1 1 -24 31  11 o 14.924  7.2506  -17.9469   82.878   0.0000     0.0000   -17.9469   82.878   ?       ?       14.924  7.2506  0.000000       7.250583 
1 1 1 -24 31  12 o 15.280  7.4009  -8.0647    84.673   0.0000     0.0000   -8.0647    84.673   ?       ?       15.280  7.4009  0.000000       7.400929 
1 1 1 -24 31  13 f 19.132  8.3633  84.802     73.644   96.516     119.062  77.543     93.723   18.934  9.0699  18.480  8.6016  0.4544144      12.49999 
1 1 1 -24 31  14 o 16.646  7.9739  28.258     92.029   62.657     99.376   -178.8997  243.871  17.903  8.4939  ?       ?       0.000000       8.493943 
1 1 1 -24 31  15 o 19.640  9.0327  108.329    98.867   125.036    102.678  -104.2365  366.258  20.229  9.2672  ?       ?       0.000000       9.267195 
1 1 1 -24 31  16 o 18.221  8.5954  71.479     99.038   61.248     102.396  219.852    389.947  17.880  8.5226  ?       ?       0.000000       8.522560 
1 1 1 -24 31  17 o 17.054  7.6286  49.229     64.792   22.672     89.697   78.205     93.692   16.444  7.8757  18.538  8.6191  -2.094057      11.67544 
1 1 1 -24 31  18 o 19.664  8.2882  89.000     67.549   -46.0624   90.670   257.463    101.262  14.526  7.1646  28.112  10.708  -13.58545      12.88412 
1 1 1 -24 31  19 f 19.142  7.9928  79.704     61.909   216.321    87.217   -59.0409   87.893   27.449  10.040  14.038  6.9474  13.41135       12.20907 
1 1 1 -24 31  20 o 11.210  5.4961  -52.7311   50.840   -11.2337   82.467   -78.1714   64.570   14.988  7.2703  11.825  5.8701  3.162445       9.344272 
1 1 1 -24 31  21 o 10.745  5.3383  -76.6242   53.817   -251.0105  224.004  -65.9419   55.441   ?       ?       11.235  5.5523  0.000000       5.552307 
1 1 1 -24 31  22 f 12.237  5.9956  -46.2700   60.181   -141.8610  229.169  -39.1898   62.370   ?       ?       12.653  6.1787  0.000000       6.178688 
1 1 1 -24 31  23 f 22.695  9.4274  168.113    85.491   148.695    240.913  170.911    91.442   ?       ?       22.196  9.5094  0.000000       9.509417 
1 1 1 -24 31  24 o 19.877  8.8713  131.712    87.090   623.511    242.378  58.805     93.322   21.710  10.869  16.700  8.0075  5.010067       13.50016 
1 1 1 -24 32  1  o 14.792  6.8864  7.5041     60.119   45.190     84.798   -30.5794   85.245   17.463  8.1461  14.852  7.2463  2.610431       10.90267 
1 1 1 -24 32  2  o 11.826  5.8588  -78.1803   63.108   46.317     117.134  -129.0978  74.909   17.907  8.6813  11.719  5.8910  6.187423       10.49139 
1 1 1 -24 32  3  o 39.597  9.3290  338.564    88.159   410.116    135.825  286.477    115.887  31.814  12.329  27.969  11.216  3.845211       16.66698 
1 1 1 -24 32  4  o 21.108  8.8736  114.436    77.101   111.933    127.387  115.883    96.856   19.508  9.3545  20.286  9.1788  -0.7781868     13.10561 
1 1 1 -24 32  5  o 24.090  8.9947  144.912    70.641   129.857    134.380  150.662    83.041   19.789  9.5196  23.074  9.4065  -3.285131      13.38304 
1 1 1 -24 32  6  o 23.442  8.9527  139.183    70.894   149.584    128.406  134.623    85.028   20.377  9.6641  21.716  9.2330  -1.338869      13.36580 
1 1 1 -24 32  7  o 19.350  8.3452  87.659     71.310   213.038    136.723  40.808     83.578   21.902  10.258  16.909  7.9518  4.993183       12.97938 
1 1 1 -24 32  8  o 20.611  8.9014  115.894    81.354   151.722    124.085  88.881     107.742  20.373  9.6137  18.676  8.8561  1.697006       13.07108 
1 1 1 -24 32  9  o 15.225  7.2470  8.2965     73.491   53.457     106.575  -32.6457   101.476  17.520  8.4402  15.192  7.5089  2.327352       11.29696 
1 1 1 -24 32  10 f 16.538  8.0520  21.018     103.701  0.0000     0.0000   21.018     103.701  ?       ?       16.538  8.0520  0.000000       8.051957 
1 1 1 -24 32  11 o 18.152  8.6204  76.432     102.829  0.0000     0.0000   76.432     102.829  ?       ?       18.152  8.6204  0.000000       8.620446 
1 1 1 -24 32  12 o 13.432  6.7308  -98.1037   93.928   -77.2920   101.127  -228.8656  253.485  14.199  7.0954  ?       ?       0.000000       7.095397 
1 1 1 -24 32  13 o 16.219  7.8803  15.703     97.943   53.765     107.080  -179.1891  242.304  17.439  8.4158  ?       ?       0.000000       8.415784 
1 1 1 -24 32  14 o 18.111  8.5146  74.718     95.724   67.165     103.460  119.635    252.292  17.840  8.5213  ?       ?       0.000000       8.521263 
1 1 1 -24 32  15 o 11.920  6.0151  -140.7300  82.350   -103.5984  85.287   -652.1970  316.535  12.817  6.4214  ?       ?       0.000000       6.421352 
1 1 1 -24 32  16 o 23.263  9.0231  143.292    72.803   97.890     95.802   205.350    112.005  19.084  8.8182  23.035  10.183  -3.950151      13.47013 
1 1 1 -24 32  17 o 19.449  8.1500  87.826     64.697   123.358    82.618   31.492     104.028  20.847  8.9867  16.808  8.1560  4.038809       12.13598 
1 1 1 -24 32  18 o 12.526  6.0890  -35.8761   58.656   -102.9593  79.839   42.799     86.462   12.412  6.2178  16.810  7.9602  -4.397847      10.10082 
1 1 1 -24 32  19 o 24.926  10.214  219.654    98.533   437.573    195.219  145.162    114.138  23.154  11.221  20.025  9.3769  3.129921       14.62311 
1 1 1 -24 32  20 o 18.498  8.5666  93.421     91.164   150.495    216.501  81.120     100.509  18.284  9.2800  17.902  8.5079  0.3816452      12.58984 
1 1 1 -24 32  21 o 15.543  7.1753  34.035     63.212   -402.0379  233.848  68.410     65.657   ?       ?       17.498  7.7624  0.000000       7.762447 
1 1 1 -24 32  22 o 14.974  7.0348  25.357     65.131   -281.1535  237.946  50.182     67.717   ?       ?       16.213  7.4637  0.000000       7.463671 
1 1 1 -24 33  1  o 30.826  9.0494  217.030    72.123   223.824    104.625  210.877    99.558   24.942  10.401  24.805  10.227  0.1362514      14.58656 
1 1 1 -24 33  2  o 19.134  8.2667  85.917     70.225   -0.6770    122.655  128.145    85.652   16.459  8.1563  20.999  9.1010  -4.539991      12.22106 
1 1 1 -24 33  3  o 17.058  7.6094  52.621     63.991   -136.9926  118.027  131.561    76.155   14.015  7.0855  21.900  8.9772  -7.885764      11.43658 
1 1 1 -24 33  4  o 18.275  8.0944  74.146     71.119   239.700    124.864  -5.3505    86.525   23.240  10.477  15.229  7.4009  8.011547       12.82746 
1 1 1 -24 33  5  o 22.568  8.8316  133.737    70.222   126.546    126.084  136.970    84.549   19.252  9.2516  21.402  9.1557  -2.149593      13.01611 
1 1 1 -24 33  6  o 15.219  7.2800  9.0630     76.097   -22.3763   121.419  29.401     97.657   15.845  7.8954  16.495  7.9792  -0.6502190     11.22518 
1 1 1 -24 33  7  o 17.922  8.2632  72.741     83.450   73.871     126.452  71.869     111.070  17.834  8.7279  17.794  8.5829  0.4078674E-01  12.24104 
1 1 1 -24 33  8  o 12.230  6.0943  -83.4234   72.392   -34.4064   109.866  -121.0333  96.237   15.242  7.5813  13.059  6.5788  2.183172       10.03777 
1 1 1 -24 33  9  o 20.072  9.3565  145.251    111.543  0.0000     0.0000   145.251    111.543  ?       ?       20.072  9.3565  0.000000       9.356501 
1 1 1 -24 33  10 o 13.983  6.9817  -71.0704   96.949   0.0000     0.0000   -71.0704   96.949   ?       ?       13.983  6.9817  0.000000       6.981745 
1 1 1 -24 33  11 o ?       ?       115.544    253.424  0.0000     0.0000   115.544    253.424  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 33  12 o 14.304  7.1018  -50.7477   94.660   -67.4327   102.926  40.785     241.075  14.331  7.1610  ?       ?       0.000000       7.160965 
1 1 1 -24 33  13 o 16.281  7.9158  22.409     99.296   60.314     108.326  -176.9364  248.424  17.444  8.4296  ?       ?       0.000000       8.429555 
1 1 1 -24 33  14 o 29.045  9.3341  211.398    74.635   175.631    100.561  255.264    111.365  22.148  9.7249  25.247  10.642  -3.098883      14.41602 
1 1 1 -24 33  15 o 12.145  5.9623  -50.2456   60.454   5.3805     86.284   -103.8818  84.726   15.424  7.4709  12.667  6.3540  2.756673       9.807544 
1 1 1 -24 33  16 o 21.439  8.4846  116.954    65.475   103.304    85.797   135.988    101.317  19.217  8.6720  20.082  9.2019  -0.8650150     12.64433 
1 1 1 -24 33  17 o 12.232  6.0751  -71.0143   69.478   -40.9187   150.011  -79.2334   78.394   15.931  8.0485  12.679  6.3221  3.252256       10.23459 
1 1 1 -24 33  18 o 16.511  7.9282  44.544     92.198   -94.9569   176.912  96.560     108.028  ?       ?       18.111  8.6661  0.000000       8.666133 
1 1 1 -24 33  19 o 15.623  7.5367  25.759     85.703   -54.3745   189.292  46.422     96.120   ?       ?       16.410  7.9327  0.000000       7.932663 
1 1 1 -24 33  20 o 17.647  8.2943  90.431     90.720   38.145     197.967  104.329    102.067  ?       ?       17.892  8.5231  0.000000       8.523106 
1 1 1 -24 33  21 o 18.667  8.6544  128.178    93.434   -150.5492  203.442  202.683    105.182  ?       ?       20.988  9.5240  0.000000       9.523974 
1 1 1 -24 34  1  o 21.041  8.4614  113.745    66.162   167.906    99.525   70.856     88.564   21.600  9.5710  17.661  8.2670  3.938913       12.64705 
1 1 1 -24 34  2  o 21.618  8.7269  127.005    70.674   110.604    115.958  136.698    89.145   18.644  8.9363  20.681  9.1161  -2.036968      12.76562 
1 1 1 -24 34  3  o 14.557  6.9367  5.3405     67.725   38.992     113.666  -13.1814   84.328   16.745  8.2114  14.680  7.1721  2.064986       10.90254 
1 1 1 -24 34  4  o 13.059  6.3594  -30.2136   64.774   6.2936     121.239  -44.7969   76.627   16.137  8.0161  13.399  6.6044  2.737544       10.38630 
1 1 1 -24 34  5  o 12.547  6.1544  -43.8974   63.979   -88.3522   118.218  -25.4832   76.085   14.436  7.2747  13.899  6.7952  0.5366735      9.954659 
1 1 1 -24 34  6  o 77.334  6.2043  1010.30    115.440  1003.80    168.194  1016.09    158.730  56.972  12.510  62.428  10.874  -5.455719      16.57523 
1 1 1 -24 34  7  o 18.411  8.3959  89.672     83.034   119.636    121.515  63.427     113.726  18.648  8.9909  17.249  8.4055  1.399645       12.30808 
1 1 1 -24 34  8  f 17.840  8.6170  85.905     112.883  0.0000     0.0000   85.905     112.883  ?       ?       17.840  8.6170  0.000000       8.617023 
1 1 1 -24 34  9  o ?       ?       -40.6885   240.916  0.0000     0.0000   -40.6885   240.916  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 34  10 o ?       ?       433.305    282.264  0.0000     0.0000   433.305    282.264  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 34  11 o 15.900  7.8519  5.6662     110.137  -102.4061  125.995  355.742    226.766  14.509  7.3343  20.120  10.131  -5.610532      12.50724 
1 1 1 -24 34  12 o 19.688  8.4804  104.477    73.451   74.110     98.065   143.285    110.859  17.636  8.3880  19.760  9.2494  -2.124374      12.48639 
1 1 1 -24 34  13 o 12.971  6.3123  -29.6121   63.517   2.5825     84.221   -72.0749   96.724   15.095  7.3281  13.830  6.9153  1.265489       10.07581 
1 1 1 -24 34  14 o 12.440  6.0937  -41.5347   62.075   -6.0505    89.611   -74.2695   86.070   14.990  7.3384  13.202  6.5894  1.788756       9.862671 
1 1 1 -24 34  15 o 11.719  5.7738  -53.2369   58.378   -138.1982  82.804   30.729     82.317   11.753  5.9415  15.833  7.5732  -4.080170      9.625731 
1 1 1 -24 34  16 o 15.070  7.3062  10.507     82.968   -107.0409  168.307  48.241     95.359   ?       ?       16.457  7.9417  0.000000       7.941700 
1 1 1 -24 34  17 o ?       ?       -228.6226  72.781   -328.6295  154.616  -200.1559  82.491   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 34  18 o 14.294  7.0114  -5.8159    83.056   306.094    183.601  -86.0687   93.130   19.359  9.6565  12.979  6.5299  6.379850       11.65712 
1 1 1 -24 34  19 o 16.938  8.0464  84.313     89.721   -150.9106  195.317  147.224    101.009  ?       ?       18.830  8.8188  0.000000       8.818801 
1 1 1 -24 35  1  o 16.124  7.3416  45.590     63.174   29.805     93.547   58.826     85.657   15.975  7.7476  16.861  7.9658  -0.8865919     11.11216 
1 1 1 -24 35  2  o 20.849  8.5712  121.267    69.676   162.460    114.929  97.327     87.613   19.851  9.3319  18.396  8.4764  1.454872       12.60691 
1 1 1 -24 35  3  o 19.460  8.4263  105.852    73.290   115.945    124.991  100.564    90.475   18.194  8.8543  18.441  8.5380  -0.2472019     12.30025 
1 1 1 -24 35  4  o 13.073  6.3384  -21.1422   62.473   -182.3135  119.714  39.175     73.236   ?       ?       15.922  7.4735  0.000000       7.473480 
1 1 1 -24 35  5  o 13.723  6.6089  -8.0015    65.210   52.171     116.219  -35.6493   78.779   16.735  8.2260  13.603  6.7031  3.132088       10.61129 
1 1 1 -24 35  6  o 13.900  6.9775  -75.1062   103.184  -25.4882   114.366  -292.2683  239.258  15.147  7.5656  ?       ?       0.000000       7.565619 
1 1 1 -24 35  7  o 17.913  8.8243  110.225    136.158  155.784    161.292  -2.7529    253.993  18.403  9.1586  ?       ?       0.000000       9.158641 
1 1 1 -24 35  8  o ?       ?       61.264     249.175  0.0000     0.0000   61.264     249.175  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 35  9  o ?       ?       -44.9325   263.879  0.0000     0.0000   -44.9325   263.879  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 35  10 o 22.631  9.3432  166.763    83.233   220.394    122.615  120.931    113.350  21.460  9.9371  18.603  8.8948  2.857531       13.33654 
1 1 1 -24 35  11 o 32.508  9.4768  267.921    79.343   225.577    104.951  324.405    121.214  23.358  10.099  26.186  11.073  -2.827297      14.98699 
1 1 1 -24 35  12 o 14.618  6.9883  10.620     69.901   52.594     94.155   -40.9196   104.335  16.576  7.9728  14.521  7.2488  2.055646       10.77551 
1 1 1 -24 35  13 o 14.155  6.7766  4.3187     66.250   62.315     85.929   -80.6789   104.027  16.795  7.9478  13.736  6.9094  3.058771       10.53126 
1 1 1 -24 35  14 o 17.041  8.2375  76.450     103.623  21.643     200.286  96.483     121.089  ?       ?       17.403  8.5218  0.000000       8.521781 
1 1 1 -24 35  15 o 18.086  8.4460  106.866    91.553   83.218     192.648  113.764    104.054  ?       ?       17.956  8.5680  0.000000       8.567962 
1 1 1 -24 35  16 o 14.627  7.1451  10.935     83.607   -130.5280  183.419  48.036     93.933   ?       ?       15.840  7.7011  0.000000       7.701075 
1 1 1 -24 35  17 o 13.583  6.7064  -16.8835   80.194   -124.9069  167.294  15.344     91.376   ?       ?       14.711  7.2434  0.000000       7.243360 
1 1 1 -24 36  1  o 12.916  6.1760  -8.4411    54.657   -77.6657   83.634   43.166     72.212   12.772  6.3928  15.889  7.4461  -3.117006      9.813885 
1 1 1 -24 36  2  o 15.482  7.2068  36.499     65.808   190.296    107.260  -56.3451   83.337   20.963  9.5529  13.208  6.5748  7.754813       11.59684 
1 1 1 -24 36  3  o 14.876  7.0153  23.207     65.879   -25.6162   122.419  43.110     78.162   15.134  7.5975  15.958  7.5600  -0.8238220     10.71795 
1 1 1 -24 36  4  o 19.146  9.3435  190.606    141.939  159.909    164.464  280.214    280.992  18.077  9.0356  ?       ?       0.000000       9.035603 
1 1 1 -24 36  5  o 15.273  7.6541  -16.6522   121.567  -21.9759   139.656  -0.0017    246.984  15.511  7.8277  ?       ?       0.000000       7.827690 
1 1 1 -24 36  6  o 15.727  7.8541  7.4764     122.971  3.3163     141.928  20.003     246.284  15.908  8.0109  ?       ?       0.000000       8.010867 
1 1 1 -24 36  7  o ?       ?       647.960    302.579  0.0000     0.0000   647.960    302.579  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 36  8  o 15.235  7.5239  3.9409     101.148  0.0000     0.0000   3.9409     101.148  ?       ?       15.235  7.5239  0.000000       7.523924 
1 1 1 -24 36  9  o 16.810  8.1814  67.408     106.775  0.0000     0.0000   67.408     106.775  ?       ?       16.810  8.1814  0.000000       8.181381 
1 1 1 -24 36  10 o 16.469  7.7295  58.026     78.302   90.370     112.512  27.648     109.040  17.291  8.4113  15.800  7.8044  1.490644       11.47429 
1 1 1 -24 36  11 o 12.361  6.0874  -41.4997   64.661   -44.3307   83.799   -37.3335   101.656  13.388  6.6530  14.231  7.1118  -0.8423948     9.738580 
1 1 1 -24 36  12 o 14.980  7.4037  7.4648     98.638   144.650    195.244  -39.5477   114.296  17.125  8.7034  14.455  7.2675  2.669700       11.33866 
1 1 1 -24 36  13 o 14.646  7.2497  1.2113     95.917   -27.3597   180.286  12.491     113.280  ?       ?       15.189  7.5779  0.000000       7.577906 
1 1 1 -24 36  14 f 12.175  6.1648  -116.5572  91.733   -134.2128  189.059  -111.1207  104.909  ?       ?       12.843  6.5122  0.000000       6.512189 
1 1 1 -24 36  15 o 18.695  8.8952  177.290    110.508  154.428    218.502  185.148    128.099  ?       ?       18.058  8.8261  0.000000       8.826073 
1 1 1 -24 36  16 o 17.867  8.4976  148.151    100.637  187.849    205.214  135.581    115.476  ?       ?       16.934  8.2987  0.000000       8.298664 
1 1 1 -24 37  1  o 14.686  7.2321  -0.8606    91.234   18.318     94.945   -231.9165  329.547  15.253  7.4847  ?       ?       0.000000       7.484732 
1 1 1 -24 37  2  o 14.396  7.2156  -38.7001   108.266  -55.6319   114.474  104.832    333.295  14.296  7.1984  ?       ?       0.000000       7.198429 
1 1 1 -24 37  3  o 15.641  7.8655  7.5337     134.345  34.525     154.537  -75.9842   271.837  16.161  8.1651  ?       ?       0.000000       8.165137 
1 1 1 -24 37  4  o 18.878  9.2230  190.057    139.421  122.891    163.101  372.304    268.665  17.276  8.6853  ?       ?       0.000000       8.685324 
1 1 1 -24 37  5  o ?       ?       -167.6560  115.569  -149.0806  132.607  -226.3320  235.682  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 37  6  o 13.361  6.4832  -11.0391   65.705   -8.2774    117.849  -12.2848   79.147   15.092  7.5590  13.948  6.8421  1.144018       10.19576 
1 1 1 -24 37  7  o 16.292  7.8293  59.463     90.307   0.0000     0.0000   59.463     90.307   ?       ?       16.292  7.8293  0.000000       7.829348 
1 1 1 -24 37  8  o 13.637  6.7785  -34.3076   87.225   0.0000     0.0000   -34.3076   87.225   ?       ?       13.637  6.7785  0.000000       6.778450 
1 1 1 -24 37  9  o 14.042  6.8595  -0.9074    77.065   25.037     118.189  -20.0967   101.645  15.463  7.7186  14.333  7.1552  1.129689       10.52491 
1 1 1 -24 37  10 o 14.988  7.3997  19.862     97.574   222.233    190.831  -51.7748   113.539  17.512  8.8697  14.014  7.0704  3.498268       11.34288 
1 1 1 -24 37  11 o 14.257  7.1656  -23.7052   110.564  0.0000     0.0000   -23.7052   110.564  ?       ?       14.257  7.1656  0.000000       7.165573 
1 1 1 -24 37  12 o 14.453  7.1896  8.0984     98.917   -96.4802   195.257  44.204     114.729  ?       ?       15.317  7.6393  0.000000       7.639309 
1 1 1 -24 37  13 o 14.960  7.4056  40.659     100.105  257.326    198.611  -33.1285   115.904  ?       ?       13.887  7.0213  0.000000       7.021265 
1 1 1 -24 37  14 o 11.931  6.0526  -104.5705  91.393   -138.7531  188.410  -94.0526   104.512  ?       ?       12.577  6.3899  0.000000       6.389932 
1 1 1 -24 38  1  o 14.690  7.2845  0.4856     98.394   32.827     102.213  -408.1824  363.341  15.480  7.6294  ?       ?       0.000000       7.629389 
1 1 1 -24 38  2  o 14.859  7.3941  2.9857     104.993  -24.9659   109.572  316.615    367.032  14.439  7.2403  ?       ?       0.000000       7.240280 
1 1 1 -24 38  3  f 17.545  7.9494  88.229     72.933   31.810     145.176  107.276    84.350   15.721  7.9395  17.995  8.3006  -2.273878      11.48630 
1 1 1 -24 38  4  o 14.028  6.7277  12.267     65.924   40.546     118.140  -0.5207    79.443   15.656  7.7990  14.072  6.8933  1.583567       10.40873 
1 1 1 -24 38  5  o 16.730  7.6887  73.850     71.457   61.163     128.995  79.467     85.829   15.977  7.9887  16.681  7.9083  -0.7035723     11.24105 
1 1 1 -24 38  6  f 14.172  6.8948  10.274     75.637   0.0000     0.0000   10.274     75.637   ?       ?       14.172  6.8948  0.000000       6.894809 
1 1 1 -24 38  7  o 14.882  7.2345  31.021     82.839   0.0000     0.0000   31.021     82.839   ?       ?       14.882  7.2345  0.000000       7.234480 
1 1 1 -24 38  8  o 15.873  7.6336  65.868     86.246   309.950    229.479  25.720     93.069   ?       ?       14.766  7.2779  0.000000       7.277872 
1 1 1 -24 38  9  o 14.899  7.3048  37.771     89.837   -104.4500  217.835  66.917     98.613   ?       ?       15.660  7.6731  0.000000       7.673129 
1 1 1 -24 38  10 o 12.047  6.0965  -95.1166   88.938   -199.4684  167.174  -53.9220   105.036  ?       ?       13.255  6.7000  0.000000       6.700018 
1 1 1 -24 38  11 o 14.079  7.0284  13.128     98.074   -19.5269   195.458  24.117     113.381  ?       ?       14.434  7.2544  0.000000       7.254415 
1 1 1 -24 38  12 o ?       ?       -113.0804  103.978  0.0000     0.0000   -113.0804  103.978  ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 39  1  o 19.373  8.5365  135.475    78.106   270.910    106.586  -21.6012   114.786  22.971  10.051  14.284  7.1947  8.686690       12.36058 
1 1 1 -24 39  2  o 12.366  6.1292  -38.5369   69.352   -61.2482   96.332   -14.0996   99.925   13.103  6.5987  14.051  7.0263  -0.9476223     9.639080 
1 1 1 -24 39  3  o 24.172  9.5855  223.659    83.721   326.604    134.814  159.035    106.814  21.150  9.9923  18.171  8.6735  2.978033       13.23167 
1 1 1 -24 39  4  o 22.261  9.1304  186.851    78.835   308.977    135.860  124.855    96.798   20.340  9.7290  17.401  8.2922  2.939215       12.78340 
1 1 1 -24 39  5  o 18.447  8.3729  132.267    81.354   151.673    149.255  124.065    97.036   16.489  8.2921  17.221  8.2329  -0.7317886     11.68501 
1 1 1 -24 39  6  o 13.546  6.7025  -2.4364    81.679   0.0000     0.0000   -2.4364    81.679   ?       ?       13.546  6.7025  0.000000       6.702538 
1 1 1 -24 39  7  o 12.115  6.0777  -55.4131   77.673   0.0000     0.0000   -55.4131   77.673   ?       ?       12.115  6.0777  0.000000       6.077743 
1 1 1 -24 39  8  o 16.176  7.7062  95.592     83.471   -143.7379  229.630  132.029    89.600   ?       ?       17.235  8.1438  0.000000       8.143828 
1 1 1 -24 39  9  o 15.229  7.3991  75.864     86.343   30.433     279.594  80.654     90.780   ?       ?       15.292  7.4646  0.000000       7.464606 
1 1 1 -24 40  1  f 15.333  7.2578  60.402     71.745   -42.0596   97.532   181.223    105.910  13.125  6.6133  18.260  8.6937  -5.134970      10.92320 
1 1 1 -24 40  2  o 16.437  7.5935  86.803     70.992   107.462    97.069   63.045     104.096  16.296  7.9010  15.100  7.4886  1.195728       10.88597 
1 1 1 -24 40  3  o 12.733  6.4008  -40.6448   88.439   -45.8666   238.830  -39.8150   95.207   ?       ?       12.954  6.5282  0.000000       6.528245 
1 1 1 -24 40  4  o 13.854  6.8425  21.890     83.737   0.0000     0.0000   21.890     83.737   ?       ?       13.854  6.8425  0.000000       6.842487 
1 1 1 -24 40  5  o 13.960  6.8946  30.676     84.995   0.0000     0.0000   30.676     84.995   ?       ?       13.960  6.8946  0.000000       6.894594 
1 1 1 -24 40  6  o 11.802  5.9634  -65.6791   82.586   0.0000     0.0000   -65.6791   82.586   ?       ?       11.802  5.9634  0.000000       5.963412 
1 1 1 -24 40  7  o ?       ?       -174.0041  60.797   -107.1620  206.636  -180.3387  63.613   ?       ?       ?       ?       0.000000       ?        
1 1 1 -24 41  1  o 12.480  6.3071  -43.5753   92.707   88.953     229.787  -69.3411   101.320  ?       ?       12.351  6.2764  0.000000       6.276362 
1 1 1 -24 41  2  o 12.321  6.2231  -42.2965   89.371   -338.5024  252.830  -0.0002    95.539   ?       ?       13.170  6.6244  0.000000       6.624351 
1 1 1 -24 41  3  o 13.716  6.8767  36.226     98.647   84.119     261.725  28.295     106.502  ?       ?       13.617  6.8673  0.000000       6.867348 
1 1 1 -24 41  4  o 16.638  8.1321  194.553    108.735  0.0000     0.0000   194.553    108.735  ?       ?       16.638  8.1321  0.000000       8.132150 
1 1 1 -23 -44 25 o 13.834  6.6851  46.372     68.129   51.390     139.538  44.802     78.067   ?       ?       13.762  6.7601  0.000000       6.760087 
1 1 1 -23 -44 26 o 14.142  7.0695  59.825     100.788  115.524    213.131  43.781     114.387  ?       ?       13.859  7.0041  0.000000       7.004135 
1 1 1 -23 -44 27 o 12.882  6.5088  -17.3719   98.231   12.064     214.058  -25.2243   110.560  ?       ?       12.981  6.5928  0.000000       6.592842 
1 1 1 -23 -44 28 o 12.457  6.2470  -22.7966   81.648   85.202     203.459  -43.5275   89.141   ?       ?       12.305  6.2152  0.000000       6.215216 
1 1 1 -23 -44 29 o 9.4464  4.7832  -100.6222  55.242   -161.3336  115.792  -82.7320   62.857   ?       ?       10.388  5.2434  0.000000       5.243367 
1 1 1 -23 -44 30 f 14.442  6.9545  54.074     72.157   -64.4135   132.078  104.483    86.149   ?       ?       15.832  7.6176  0.000000       7.617590 
1 1 1 -23 -44 31 o 11.054  5.5357  -54.0615   63.065   -119.2003  123.074  -30.8685   73.439   ?       ?       12.104  6.0483  0.000000       6.048261 
1 1 1 -23 -44 32 o 18.842  7.9995  127.667    63.661   266.902    133.592  86.760     72.411   17.626  8.6940  15.782  7.4153  1.844135       11.42678 
1 1 1 -23 -44 33 o 14.279  7.0572  47.853     89.585   -84.3941   133.991  154.758    120.471  ?       ?       16.036  7.9702  0.000000       7.970187 
1 1 1 -23 -44 34 o 14.956  7.4327  82.685     104.697  348.519    209.622  -5.6684    120.850  ?       ?       13.596  6.9037  0.000000       6.903689 
1 1 1 -23 -44 35 o 10.300  5.1971  -84.5477   61.416   -164.1841  198.810  -76.1463   64.574   ?       ?       10.689  5.3852  0.000000       5.385230 
1 1 1 -23 -44 36 o 12.849  6.1357  17.057     53.581   33.637     196.850  15.730     55.683   ?       ?       12.857  6.1702  0.000000       6.170231 
1 1 1 -23 -44 37 o 15.656  7.0158  69.892     55.058   77.936     133.839  68.253     60.406   14.605  7.4004  15.326  7.0530  -0.7211943     10.22306 
1 1 1 -23 -44 38 o 11.566  5.6332  -10.2080   50.879   152.248    124.516  -42.7700   55.746   15.757  7.8739  10.839  5.3929  4.917268       9.543646 
1 1 1 -23 -44 39 o 10.574  5.2195  -32.7440   48.458   -183.2143  124.220  -5.7365    52.627   ?       ?       11.804  5.7447  0.000000       5.744652 
1 1 1 -23 -44 40 o 15.380  6.9818  69.329     56.591   115.232    128.822  58.352     62.995   14.943  7.5380  14.606  6.8793  0.3368196      10.20522 
1 1 1 -23 -44 41 o 11.643  5.6659  -5.7546    51.156   77.606     130.221  -20.9669   55.629   14.340  7.2698  11.371  5.6087  2.969639       9.181943 
1 1 1 -23 -43 21 o 12.954  6.3328  13.050     66.055   0.0000     0.0000   13.050     66.055   ?       ?       12.954  6.3328  0.000000       6.332786 
1 1 1 -23 -43 22 o 17.583  8.0045  128.177    75.056   0.0000     0.0000   128.177    75.056   ?       ?       17.583  8.0045  0.000000       8.004469 
1 1 1 -23 -43 23 o 11.022  5.4925  -47.3813   58.773   -240.5723  133.019  -0.5176    65.515   ?       ?       12.706  6.2316  0.000000       6.231575 
1 1 1 -23 -43 24 o 13.737  6.6457  26.565     67.799   -0.6718    133.608  36.010     78.682   ?       ?       14.160  6.9202  0.000000       6.920193 
1 1 1 -23 -43 25 o 16.376  7.5790  89.517     71.187   91.488     147.943  88.924     81.206   15.146  7.6854  15.971  7.6066  -0.8259535     10.81325 
1 1 1 -23 -43 26 o 20.775  8.7311  168.762    74.608   322.928    149.060  117.231    86.179   18.629  9.1876  16.934  7.9971  1.695309       12.18053 
1 1 1 -23 -43 27 o 15.359  7.4808  69.957     89.763   -38.3943   199.666  97.404     100.491  ?       ?       15.932  7.7934  0.000000       7.793353 
1 1 1 -23 -43 28 o 11.848  5.9473  -61.9272   74.904   -219.1044  159.776  -17.6520   84.800   ?       ?       13.182  6.5731  0.000000       6.573091 
1 1 1 -23 -43 29 o 13.753  6.7893  8.4668     82.089   197.491    167.391  -51.3859   94.193   16.441  8.3252  12.871  6.4870  3.570486       10.55411 
1 1 1 -23 -43 30 o 15.769  7.2829  66.606     65.236   279.240    129.182  -6.1813    75.581   19.474  9.3601  13.222  6.5250  6.252145       11.40992 
1 1 1 -23 -43 31 o 20.204  8.1318  127.249    61.164   69.076     130.666  143.572    69.215   15.292  7.6987  20.238  8.4510  -4.946358      11.43188 
1 1 1 -23 -43 32 o 13.526  6.3839  21.148     54.772   190.183    123.676  -20.0938   61.089   17.672  8.6446  12.215  5.9960  5.456579       10.52054 
1 1 1 -23 -43 33 o 23.391  8.1649  150.033    56.995   170.858    133.277  145.372    63.051   16.945  8.4154  21.508  8.3818  -4.563189      11.87745 
1 1 1 -23 -43 34 o 10.757  5.3966  -74.9721   61.230   82.826     119.750  -130.8320  71.248   15.597  7.7828  10.438  5.3003  5.158749       9.416174 
1 1 1 -23 -43 35 o 16.447  7.7005  87.683     76.929   -117.5564  215.236  117.742    82.370   ?       ?       17.497  8.1168  0.000000       8.116823 
1 1 1 -23 -43 36 o 11.772  5.9058  -64.2575   73.331   -282.8373  187.297  -24.6855   79.693   ?       ?       12.931  6.4357  0.000000       6.435687 
1 1 1 -23 -43 37 o 9.7739  4.8831  -65.8537   47.768   34.756     120.403  -84.6472   52.038   14.747  7.4198  9.7217  4.8897  5.024857       8.886107 
1 1 1 -23 -43 38 o 15.633  7.0083  60.009     54.998   -111.9486  128.791  98.361     60.823   ?       ?       17.890  7.7115  0.000000       7.711479 
1 1 1 -23 -43 39 o 12.264  5.8988  -1.9325    51.536   95.880     127.746  -20.9460   56.322   15.590  7.8176  11.839  5.8002  3.751643       9.734317 
1 1 1 -23 -43 40 o 15.989  7.1112  67.254     55.446   -33.7411   128.174  90.504     61.498   13.787  7.0115  17.167  7.5692  -3.379988      10.31759 
1 1 1 -23 -43 41 o 11.272  5.5339  -27.3286   52.103   -122.5963  127.177  -8.1134    57.116   ?       ?       12.259  5.9702  0.000000       5.970245 
1 1 1 -23 -43 42 o 10.950  5.3457  -23.1866   46.577   -333.4482  122.310  29.438     50.372   ?       ?       13.608  6.3247  0.000000       6.324742 
1 1 1 -23 -43 43 o 13.178  6.2788  19.654     55.459   26.077     142.726  18.512     60.189   ?       ?       13.260  6.3769  0.000000       6.376863 
1 1 1 -23 -43 44 o 14.251  6.6515  43.800     56.661   299.355    147.681  -0.3112    61.356   17.657  8.7836  12.534  6.1226  5.122372       10.70686 
1 1 1 -23 -42 18 o 14.225  6.7147  41.553     60.628   0.0000     0.0000   41.553     60.628   ?       ?       14.225  6.7147  0.000000       6.714691 
1 1 1 -23 -42 19 o 14.331  6.7777  40.558     62.314   0.0000     0.0000   40.558     62.314   ?       ?       14.331  6.7777  0.000000       6.777744 
1 1 1 -23 -42 20 f 15.414  7.1682  61.269     64.856   0.0000     0.0000   61.269     64.856   ?       ?       15.414  7.1682  0.000000       7.168249 
1 1 1 -23 -42 21 o 13.531  6.5734  11.283     68.097   0.0000     0.0000   11.283     68.097   ?       ?       13.531  6.5734  0.000000       6.573429 
1 1 1 -23 -42 22 o 15.719  7.2352  62.173     63.598   280.178    141.519  7.0023     71.192   18.923  9.2549  13.566  6.6195  5.357211       11.37853 
1 1 1 -23 -42 23 o 13.883  6.6829  18.276     66.484   75.779     132.459  -1.0884    76.867   15.635  7.8561  13.573  6.6752  2.062597       10.30903 
1 1 1 -23 -42 24 o 15.521  7.2735  56.051     68.901   -32.5729   142.820  82.935     78.661   ?       ?       16.512  7.7488  0.000000       7.748753 
1 1 1 -23 -42 25 o 16.405  7.6035  74.923     72.037   115.863    143.361  61.095     83.320   16.331  8.2015  15.690  7.5347  0.6410990      11.13719 
1 1 1 -23 -42 26 o 13.807  6.6164  14.910     63.502   -131.2048  129.714  60.965     72.825   ?       ?       15.818  7.4335  0.000000       7.433519 
1 1 1 -23 -42 27 o 14.813  6.9749  37.327     64.676   174.334    127.033  -10.6132   75.144   17.886  8.7520  13.422  6.6007  4.464303       10.96204 
1 1 1 -23 -42 28 o 17.095  8.0457  96.868     85.868   43.495     168.723  115.524    99.752   ?       ?       17.308  8.2937  0.000000       8.293698 
1 1 1 -23 -42 29 o 13.701  6.7497  -7.9861    79.714   -42.8736   157.137  4.1028     92.499   ?       ?       14.350  7.1062  0.000000       7.106244 
1 1 1 -23 -42 30 o 15.762  7.5803  57.909     85.049   68.809     163.917  53.894     99.489   15.876  8.0595  15.641  7.6724  0.2353563      11.12748 
1 1 1 -23 -42 31 o 17.892  7.9380  95.924     68.675   -61.0429   131.362  154.959    80.560   14.159  7.1905  20.416  8.8375  -6.257504      11.39317 
1 1 1 -23 -42 32 o 16.501  7.1684  63.623     53.383   122.145    129.303  51.599     58.612   16.897  8.3737  15.607  7.0928  1.289743       10.97386 
1 1 1 -23 -42 33 o 13.068  6.1671  8.1011     51.089   -41.9672   121.815  18.787     56.277   14.219  7.1897  13.827  6.5095  0.3917809      9.698707 
1 1 1 -23 -42 34 o 14.074  6.5259  25.681     53.145   -34.2633   125.191  38.858     58.696   14.388  7.2763  14.903  6.8919  -0.5153561     10.02217 
1 1 1 -23 -42 35 o 13.132  6.4997  -27.1404   77.013   -73.1981   205.083  -19.5794   83.094   ?       ?       13.561  6.7191  0.000000       6.719052 
1 1 1 -23 -42 36 o 13.704  6.7088  -2.6758    74.888   207.056    195.941  -38.5522   81.040   17.025  8.6591  13.029  6.4856  3.995594       10.81866 
1 1 1 -23 -42 37 o 17.589  8.2639  111.870    89.927   425.949    223.511  51.208     98.228   18.421  9.3575  15.565  7.6330  2.856029       12.07580 
1 1 1 -23 -42 38 o 14.446  6.6751  32.359     54.902   -79.7952   128.012  57.639     60.775   13.832  7.0314  15.886  7.2206  -2.054266      10.07857 
1 1 1 -23 -42 39 o 17.039  7.4059  74.381     57.041   168.380    126.834  50.548     63.864   17.781  8.7102  15.449  7.1598  2.332600       11.27522 
1 1 1 -23 -42 40 o 15.287  6.9421  47.897     56.014   79.151     127.196  40.377     62.389   15.969  7.9769  14.906  6.9649  1.063108       10.58961 
1 1 1 -23 -42 41 o 17.057  7.4206  76.349     57.374   -15.4012   134.811  96.643     63.403   14.587  7.3953  18.077  7.8324  -3.489456      10.77207 
1 1 1 -23 -42 42 o 12.449  6.0173  -8.1011    55.271   105.546    146.252  -27.0370   59.699   16.082  8.1026  12.059  5.9212  4.022293       10.03561 
1 1 1 -23 -42 43 f 11.847  5.7592  -17.8636   52.506   -19.9857   139.731  -17.5147   56.658   14.439  7.3408  12.139  5.9194  2.299671       9.430077 
1 1 1 -23 -42 44 o 14.402  6.6505  37.084     54.361   128.694    113.120  9.5749     61.987   16.747  8.2084  13.339  6.4286  3.408883       10.42615 
1 1 1 -23 -42 45 o 14.075  6.5468  32.803     54.149   16.446     119.684  37.014     60.719   14.471  7.2961  14.368  6.7634  0.1030159      9.948649 
1 1 1 -23 -42 46 o 15.455  7.0075  59.534     56.796   -118.5455  118.803  112.291    64.664   ?       ?       18.345  7.9292  0.000000       7.929208 
1 1 1 -23 -42 47 o 16.308  7.7178  98.576     81.047   215.862    152.349  52.282     95.715   16.579  8.3425  14.692  7.2672  1.887424       11.06383 
1 1 1 -23 -41 15 o ?       ?       -170.6864  11.873   0.0000     0.0000   -170.6864  11.873   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -41 16 o 12.702  6.4254  -73.1181   98.158   0.0000     0.0000   -73.1181   98.158   ?       ?       12.702  6.4254  0.000000       6.425388 
1 1 1 -23 -41 17 o 13.720  6.8834  -21.4345   99.657   0.0000     0.0000   -21.4345   99.657   ?       ?       13.720  6.8834  0.000000       6.883354 
1 1 1 -23 -41 18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -41 19 o 15.327  6.9886  48.160     57.507   0.0000     0.0000   48.160     57.507   ?       ?       15.327  6.9886  0.000000       6.988578 
1 1 1 -23 -41 20 o 14.280  6.7951  23.050     64.498   93.731     182.359  12.944     68.955   ?       ?       14.024  6.7640  0.000000       6.763985 
1 1 1 -23 -41 21 o 22.114  8.6173  147.898    66.641   218.438    141.286  127.713    75.577   18.635  9.1415  19.440  8.4859  -0.8056793     12.47312 
1 1 1 -23 -41 22 o 13.324  6.4594  -5.1840    64.825   -8.8436    130.675  -3.9894    74.659   14.975  7.5587  13.787  6.7385  1.187585       10.12630 
1 1 1 -23 -41 23 o 16.243  7.4965  61.185     68.934   46.666     138.689  65.949     79.442   15.880  7.9868  16.352  7.7089  -0.4715614     11.10029 
1 1 1 -23 -41 24 o 16.952  7.7443  74.993     71.036   286.648    142.705  5.2710     81.905   20.489  9.8452  14.376  7.0331  6.113194       12.09932 
1 1 1 -23 -41 25 o 20.642  8.4464  127.410    67.266   32.754     134.370  159.063    77.703   15.755  7.9157  21.615  8.9840  -5.860479      11.97369 
1 1 1 -23 -41 26 o 11.913  5.8439  -36.1925   57.716   2.6881     114.913  -49.3097   66.746   15.093  7.5455  12.180  6.0326  2.912627       9.660592 
1 1 1 -23 -41 27 o 13.839  6.6598  4.1493     65.917   -93.4571   181.051  19.065     70.774   ?       ?       14.571  6.9833  0.000000       6.983263 
1 1 1 -23 -41 28 o 17.218  7.9501  81.361     77.661   71.709     126.743  87.163     98.271   16.465  8.1820  17.043  8.1841  -0.5778255     11.57252 
1 1 1 -23 -41 29 o 13.107  6.4918  -38.5534   77.311   96.787     150.418  -87.1426   90.127   16.793  8.4292  12.740  6.4112  4.053417       10.59030 
1 1 1 -23 -41 30 o 14.422  7.0379  4.8272     80.517   -51.9162   146.590  29.342     96.353   14.912  7.5751  15.434  7.5668  -0.5219307     10.70697 
1 1 1 -23 -41 31 f 9.8259  4.8950  -69.0328   46.555   3.8480     149.562  -76.8520   48.989   15.595  7.8937  9.8821  4.9383  5.712999       9.311198 
1 1 1 -23 -41 32 o ?       ?       -147.4624  36.015   -199.1235  102.974  -140.2621  38.443   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -41 33 o 7.8578  3.9809  -104.7224  38.611   -179.0393  116.517  -95.5550   40.923   ?       ?       8.3979  4.2379  0.000000       4.237932 
1 1 1 -23 -41 34 o 14.937  6.7551  35.778     52.384   174.519    121.417  4.0461     58.066   18.988  9.1126  13.496  6.4289  5.492082       11.15214 
1 1 1 -23 -41 35 o 12.470  5.9384  -6.4849    49.473   -46.2436   113.961  2.7485     54.919   14.329  7.2107  13.265  6.2995  1.064046       9.574862 
1 1 1 -23 -41 36 f 14.631  7.1331  9.7887     82.164   7.2277     210.599  10.249     89.236   ?       ?       14.825  7.2710  0.000000       7.270963 
1 1 1 -23 -41 37 o 19.579  8.7835  137.760    86.555   228.685    211.015  119.367    94.907   17.700  9.0010  18.295  8.5618  -0.5948505     12.42264 
1 1 1 -23 -41 38 o 18.459  8.4468  113.290    84.967   -14.8206   209.717  138.449    92.937   ?       ?       19.162  8.7925  0.000000       8.792512 
1 1 1 -23 -41 39 f 12.644  6.0703  -9.4492    53.990   106.927    126.074  -35.5848   59.746   17.156  8.4591  12.102  5.9386  5.054013       10.33555 
1 1 1 -23 -41 40 o 9.9606  4.9745  -74.8471   49.354   42.532     132.248  -93.8396   53.197   15.935  7.9852  9.8891  4.9701  6.045547       9.405589 
1 1 1 -23 -41 41 o 17.490  7.5917  76.807     59.778   171.907    147.334  58.067     65.403   17.908  8.8859  16.196  7.4109  1.712656       11.57067 
1 1 1 -23 -41 42 o 22.845  8.4073  142.083    61.296   211.658    127.079  120.988    69.974   19.453  9.3321  19.779  8.3914  -0.3256855     12.55011 
1 1 1 -23 -41 43 o 18.974  7.8308  96.651     58.441   269.436    118.844  41.544     67.117   21.914  10.013  15.283  7.1674  6.631020       12.31414 
1 1 1 -23 -41 44 o 20.324  8.0933  115.500    59.914   174.120    124.285  97.754     68.384   18.337  8.9020  18.170  7.9978  0.1676388      11.96706 
1 1 1 -23 -41 45 o 16.008  7.1696  57.817     57.419   8.4213     118.183  73.079     65.693   14.912  7.4830  16.716  7.5618  -1.804704      10.63847 
1 1 1 -23 -41 46 o 13.123  6.2373  7.4707     54.044   108.313    113.561  -22.0551   61.448   16.721  8.2012  12.406  6.0739  4.314985       10.20551 
1 1 1 -23 -41 47 o 13.793  6.7381  7.0262     74.365   34.371     139.758  -3.7737    87.831   15.168  7.6726  13.880  6.8825  1.288425       10.30716 
1 1 1 -23 -41 48 o 18.714  8.4399  138.143    81.122   370.797    158.001  54.858     94.533   19.723  9.6736  15.230  7.4724  4.492978       12.22356 
1 1 1 -23 -40 13 o 12.830  5.9965  12.565     46.293   0.0000     0.0000   12.565     46.293   ?       ?       12.830  5.9965  0.000000       5.996487 
1 1 1 -23 -40 14 o 14.812  7.1217  35.428     74.964   0.0000     0.0000   35.428     74.964   ?       ?       14.812  7.1217  0.000000       7.121732 
1 1 1 -23 -40 15 o 16.738  7.6263  74.830     68.311   0.0000     0.0000   74.830     68.311   ?       ?       16.738  7.6263  0.000000       7.626280 
1 1 1 -23 -40 16 o 13.535  6.4974  4.2878     61.833   0.0000     0.0000   4.2878     61.833   ?       ?       13.535  6.4974  0.000000       6.497396 
1 1 1 -23 -40 17 o 15.405  7.6485  25.476     109.806  0.0000     0.0000   25.476     109.806  ?       ?       15.405  7.6485  0.000000       7.648471 
1 1 1 -23 -40 18 o 14.673  7.3234  -13.6963   106.237  0.0000     0.0000   -13.6963   106.237  ?       ?       14.673  7.3234  0.000000       7.323360 
1 1 1 -23 -40 19 o 14.756  7.2494  5.1226     89.881   24.502     177.638  -1.5461    104.205  ?       ?       14.938  7.4225  0.000000       7.422535 
1 1 1 -23 -40 20 o 17.787  7.7435  79.368     62.558   35.307     135.005  91.415     70.594   16.058  8.0498  18.188  8.0599  -2.130941      11.39131 
1 1 1 -23 -40 21 o 25.888  9.1799  191.227    72.253   205.757    140.793  186.032    84.184   19.268  9.3815  23.090  9.4486  -3.821440      13.31500 
1 1 1 -23 -40 22 o 15.042  7.0928  28.008     67.311   -124.9057  136.811  76.845     77.316   ?       ?       17.295  7.9666  0.000000       7.966612 
1 1 1 -23 -40 23 o ?       ?       -171.1209  61.951   -287.5571  127.997  -135.4998  70.796   ?       ?       10.754  5.4419  0.000000       5.441908 
1 1 1 -23 -40 24 o 14.805  6.9521  24.483     63.482   192.600    130.555  -27.5745   72.649   19.509  9.3846  13.325  6.5404  6.184030       11.43892 
1 1 1 -23 -40 25 o 11.969  5.8884  -44.8319   59.997   -77.5432   118.757  -33.6216   69.522   14.207  7.1757  12.975  6.3748  1.232176       9.598322 
1 1 1 -23 -40 26 o 52.503  7.0626  516.446    87.691   591.450    161.160  484.900    104.518  29.834  12.699  43.139  10.154  -13.30431      16.25923 
1 1 1 -23 -40 27 f 13.064  6.3142  -14.5856   60.859   -31.9133   122.872  -8.9527    70.056   14.997  7.5393  13.781  6.6884  1.216295       10.07846 
1 1 1 -23 -40 28 f 15.866  7.2925  45.383     64.306   -25.1639   122.167  72.421     75.632   15.086  7.5757  17.180  7.9009  -2.093785      10.94599 
1 1 1 -23 -40 29 o 14.552  6.8049  21.621     59.752   -97.2836   113.276  67.460     70.333   13.749  6.9503  17.009  7.7452  -3.260069      10.40651 
1 1 1 -23 -40 30 o 15.722  7.3151  41.727     67.678   5.5290     146.892  51.482     76.254   15.895  8.0223  16.232  7.6212  -0.3368816     11.06524 
1 1 1 -23 -40 31 o 14.356  6.8131  13.552     64.034   -251.5388  151.441  71.265     70.662   ?       ?       17.209  7.8080  0.000000       7.808022 
1 1 1 -23 -40 32 o 11.578  5.5900  -24.8510   47.396   -13.0051   142.029  -26.3354   50.278   15.605  7.8773  11.791  5.7089  3.814338       9.728509 
1 1 1 -23 -40 33 o 8.0298  4.0607  -101.2337  38.961   -173.6119  107.757  -90.3485   41.789   ?       ?       8.6967  4.3752  0.000000       4.375211 
1 1 1 -23 -40 34 o 10.161  5.0339  -60.8505   46.581   47.581     117.758  -80.9641   50.717   16.369  8.0902  10.045  5.0203  6.324572       9.521306 
1 1 1 -23 -40 35 o 14.248  6.5540  21.284     52.081   -10.6561   122.846  28.283     57.504   15.368  7.7003  14.845  6.8496  0.5226116      10.30590 
1 1 1 -23 -40 36 o 11.051  5.4022  -40.0887   48.055   -146.4432  117.803  -18.8580   52.633   13.309  6.7638  12.318  5.9336  0.9907703      8.997593 
1 1 1 -23 -40 37 f 22.932  9.7127  199.892    93.488   379.374    232.556  165.296    102.102  19.278  9.7668  20.293  9.2759  -1.015284      13.46966 
1 1 1 -23 -40 38 o 14.240  6.9888  -13.7409   82.863   19.307     198.222  -20.7391   91.216   ?       ?       14.376  7.1079  0.000000       7.107886 
1 1 1 -23 -40 39 o 11.881  5.7732  -29.8490   52.594   -58.6754   197.018  -27.6371   54.575   ?       ?       12.136  5.8933  0.000000       5.893293 
1 1 1 -23 -40 40 o 13.705  6.4039  10.717     52.756   -57.6111   112.757  29.866     59.692   14.367  7.2224  15.003  6.9422  -0.6361494     10.01785 
1 1 1 -23 -40 41 o 15.795  7.0066  45.276     53.482   138.637    111.467  17.356     60.957   18.795  8.9404  14.418  6.7836  4.377545       11.22262 
1 1 1 -23 -40 42 o 24.625  8.5130  153.665    61.887   126.551    124.891  162.489    71.250   18.055  8.8005  23.599  8.9841  -5.544271      12.57626 
1 1 1 -23 -40 43 o 17.749  7.5750  74.286     57.625   125.398    119.287  58.728     65.813   18.081  8.7646  16.548  7.5185  1.533558       11.54754 
1 1 1 -23 -40 44 o 13.308  6.2617  5.5106     51.945   92.497     106.822  -21.4286   59.447   17.341  8.3776  12.665  6.1502  4.675998       10.39271 
1 1 1 -23 -40 45 o 17.571  7.5474  73.860     57.871   -130.0516  120.773  134.635    65.934   13.465  6.8435  21.729  8.5413  -8.263866      10.94473 
1 1 1 -23 -40 46 o 14.263  6.6558  21.764     56.691   74.949     117.561  5.6490     64.713   16.600  8.1817  13.877  6.6578  2.723287       10.54828 
1 1 1 -23 -40 47 f 14.843  6.8806  33.394     59.025   -26.9920   169.599  41.717     62.961   ?       ?       15.332  7.1068  0.000000       7.106799 
1 1 1 -23 -40 48 o 11.634  5.8264  -76.9086   69.939   -199.1206  149.812  -42.8500   79.087   ?       ?       12.939  6.4352  0.000000       6.435193 
1 1 1 -23 -40 49 o 16.322  7.7677  74.216     84.355   251.618    167.638  14.065     97.614   18.058  9.0405  14.681  7.2753  3.377593       11.60438 
1 1 1 -23 -40 50 o 9.2396  4.6726  -108.7567  51.616   -168.0286  124.288  -96.4035   56.741   ?       ?       10.005  5.0416  0.000000       5.041561 
1 1 1 -23 -39 11 o 26.321  8.1585  169.163    57.497   0.0000     0.0000   169.163    57.497   ?       ?       26.321  8.1585  0.000000       8.158477 
1 1 1 -23 -39 12 o 14.558  6.9258  25.136     66.941   0.0000     0.0000   25.136     66.941   ?       ?       14.558  6.9258  0.000000       6.925784 
1 1 1 -23 -39 13 o 15.483  7.2439  42.570     67.865   0.0000     0.0000   42.570     67.865   ?       ?       15.483  7.2439  0.000000       7.243947 
1 1 1 -23 -39 14 o 38.688  7.6024  299.536    68.822   0.0000     0.0000   299.536    68.822   ?       ?       38.688  7.6024  0.000000       7.602442 
1 1 1 -23 -39 15 o 20.433  8.1983  111.568    61.959   0.0000     0.0000   111.568    61.959   ?       ?       20.433  8.1983  0.000000       8.198283 
1 1 1 -23 -39 16 o 11.452  5.5673  -32.3326   49.063   0.0000     0.0000   -32.3326   49.063   ?       ?       11.452  5.5673  0.000000       5.567291 
1 1 1 -23 -39 17 o 12.986  6.2452  -12.8669   57.717   0.0000     0.0000   -12.8669   57.717   ?       ?       12.986  6.2452  0.000000       6.245225 
1 1 1 -23 -39 18 o 14.234  7.1268  -55.2031   104.315  0.0000     0.0000   -55.2031   104.315  ?       ?       14.234  7.1268  0.000000       7.126822 
1 1 1 -23 -39 19 o 13.044  6.5489  -89.3593   91.023   -346.9891  169.878  14.392     107.804  ?       ?       15.749  7.7758  0.000000       7.775833 
1 1 1 -23 -39 20 o 18.560  8.1941  91.251     72.312   -15.9080   184.368  110.732    78.611   ?       ?       19.389  8.5527  0.000000       8.552730 
1 1 1 -23 -39 21 o 37.629  8.9203  319.736    80.205   325.373    155.973  317.709    93.516   22.071  10.520  32.648  10.444  -10.57701      14.82364 
1 1 1 -23 -39 22 o 18.866  8.2312  95.168     71.034   -72.0199   142.923  150.014    81.860   15.115  7.6577  21.556  9.1069  -6.440981      11.89862 
1 1 1 -23 -39 23 o 10.552  5.2780  -87.2983   56.522   4.5245     120.525  -113.1859  63.995   15.780  7.8634  10.681  5.3788  5.098562       9.527047 
1 1 1 -23 -39 24 o 21.235  8.5351  124.070    67.284   131.883    130.009  121.212    78.633   18.399  8.9708  19.977  8.6892  -1.577751      12.48904 
1 1 1 -23 -39 25 o 14.518  6.8405  15.621     62.388   -29.6940   115.150  34.451     74.226   15.038  7.5233  15.690  7.4134  -0.6520758     10.56212 
1 1 1 -23 -39 26 o 14.430  6.8114  13.666     62.386   88.954     118.393  -15.2746   73.404   17.525  8.5479  13.876  6.7599  3.648639       10.89784 
1 1 1 -23 -39 27 o 18.297  7.9506  83.173     65.702   113.313    121.493  70.715     78.109   18.097  8.7892  17.296  7.9813  0.8018894      11.87228 
1 1 1 -23 -39 28 f 14.193  6.5230  19.045     51.429   -29.7651   116.440  30.875     57.323   15.073  7.5443  15.107  6.9221  -0.3445244E-01 10.23879 
1 1 1 -23 -39 29 o 13.867  6.3988  14.569     50.204   -8.9427    118.304  19.733     55.443   15.480  7.7266  14.422  6.6794  1.058680       10.21344 
1 1 1 -23 -39 30 o 16.032  7.3432  45.042     64.429   -47.8722   152.997  65.071     71.035   15.556  7.8856  17.096  7.7845  -1.540086      11.08063 
1 1 1 -23 -39 31 o 19.675  8.5366  112.727    75.524   259.280    154.764  66.919     86.526   20.470  9.9366  17.078  8.0493  3.392496       12.78782 
1 1 1 -23 -39 32 f 15.203  7.1136  27.829     65.478   91.119     146.341  11.987     73.215   17.426  8.6807  14.805  7.0974  2.620520       11.21285 
1 1 1 -23 -39 33 o 22.892  8.3222  130.155    59.799   300.889    142.406  93.605     65.889   22.413  10.489  19.031  8.1105  3.382145       13.25858 
1 1 1 -23 -39 34 o 19.735  7.8364  93.027     56.024   155.446    121.962  76.333     63.072   19.267  9.2161  17.968  7.7986  1.298491       12.07289 
1 1 1 -23 -39 35 o 13.035  6.1812  -4.5908    52.482   92.186     149.766  -18.1385   56.036   17.466  8.7139  12.714  6.1240  4.752039       10.65060 
1 1 1 -23 -39 36 o 18.259  7.5445  75.013     54.337   54.937     120.246  80.164     60.910   16.804  8.2808  18.345  7.8077  -1.540932      11.38115 
1 1 1 -23 -39 37 o 14.676  7.0383  8.6935     72.155   17.746     129.677  4.6339     86.840   16.184  8.0794  15.055  7.3383  1.128511       10.91459 
1 1 1 -23 -39 38 o 17.681  8.2887  81.076     89.614   205.379    207.027  52.415     99.410   18.452  9.3342  16.683  8.0653  1.769207       12.33598 
1 1 1 -23 -39 39 o 12.851  6.4161  -75.5073   81.795   -248.7523  197.652  -39.7065   89.850   ?       ?       14.066  6.9722  0.000000       6.972237 
1 1 1 -23 -39 40 o 17.363  7.5138  64.464     58.202   42.597     115.452  71.915     67.392   16.596  8.1656  17.658  7.8474  -1.062054      11.32514 
1 1 1 -23 -39 41 o 31.616  8.2735  214.574    64.204   263.035    124.976  197.199    74.834   22.978  10.409  26.745  9.3546  -3.767645      13.99477 
1 1 1 -23 -39 42 o 11.797  5.7302  -32.9197   51.709   -53.5079   108.682  -26.8955   58.789   14.538  7.2786  12.634  6.1310  1.903912       9.516617 
1 1 1 -23 -39 43 o 16.659  7.3041  54.314     56.543   51.714     119.855  55.059     64.128   16.817  8.2830  16.687  7.5170  0.1292591      11.18544 
1 1 1 -23 -39 44 o 16.555  7.3144  53.182     57.720   -25.5795   123.105  75.376     65.349   15.380  7.7067  17.891  7.8481  -2.511573      10.99933 
1 1 1 -23 -39 45 o 13.203  6.2935  -6.1061    55.839   25.032     127.339  -13.5189   62.131   16.261  8.1001  13.320  6.4236  2.941069       10.33801 
1 1 1 -23 -39 46 f 9.8723  4.9512  -91.8973   51.350   -169.5345  126.153  -76.4797   56.218   ?       ?       10.786  5.3741  0.000000       5.374105 
1 1 1 -23 -39 47 o 20.922  8.1622  112.293    59.840   52.510     138.582  125.995    66.344   16.616  8.3039  21.315  8.5075  -4.699142      11.88833 
1 1 1 -23 -39 48 o 13.987  6.7608  -1.8270    69.796   -28.3351   137.029  7.4596     81.106   15.282  7.7170  14.715  7.1545  0.5667820      10.52329 
1 1 1 -23 -39 49 o 12.271  6.0752  -50.5767   67.454   -179.5788  166.463  -25.2327   73.783   ?       ?       13.347  6.5593  0.000000       6.559279 
1 1 1 -23 -39 50 o 17.230  8.0869  87.978     85.719   199.080    171.907  51.212     98.890   17.823  8.9546  15.934  7.7808  1.888893       11.86276 
1 1 1 -23 -39 51 o 9.1887  4.6559  -122.3486  52.952   -104.0653  129.495  -126.0196  58.025   ?       ?       9.6301  4.8789  0.000000       4.878935 
1 1 1 -23 -38 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -38 10 o 18.488  7.6439  84.383     55.829   0.0000     0.0000   84.383     55.829   ?       ?       18.488  7.6439  0.000000       7.643919 
1 1 1 -23 -38 11 o 10.480  5.1134  -38.0846   42.465   0.0000     0.0000   -38.0846   42.465   ?       ?       10.480  5.1134  0.000000       5.113394 
1 1 1 -23 -38 12 o 16.218  7.4869  49.161     68.831   0.0000     0.0000   49.161     68.831   ?       ?       16.218  7.4869  0.000000       7.486923 
1 1 1 -23 -38 13 o 15.307  7.1118  30.472     63.606   0.0000     0.0000   30.472     63.606   ?       ?       15.307  7.1118  0.000000       7.111816 
1 1 1 -23 -38 14 o 23.056  8.4456  133.225    61.753   0.0000     0.0000   133.225    61.753   ?       ?       23.056  8.4456  0.000000       8.445588 
1 1 1 -23 -38 15 o 18.086  7.6393  72.632     57.584   0.0000     0.0000   72.632     57.584   ?       ?       18.086  7.6393  0.000000       7.639304 
1 1 1 -23 -38 16 o 18.990  7.7583  82.556     56.643   83.097     183.066  82.498     59.566   17.567  8.8768  18.816  7.8470  -1.248745      11.84790 
1 1 1 -23 -38 17 o 17.923  7.6124  69.818     57.689   66.493     123.481  70.746     65.247   17.351  8.5187  17.794  7.8227  -0.4425945     11.56553 
1 1 1 -23 -38 18 o 22.154  9.4775  167.095    90.590   267.584    139.805  94.364     118.938  22.193  10.388  18.038  8.7455  4.155243       13.57904 
1 1 1 -23 -38 19 o 14.926  7.4512  -40.9006   110.220  0.0000     0.0000   -40.9006   110.220  ?       ?       14.926  7.4512  0.000000       7.451206 
1 1 1 -23 -38 20 o 18.635  8.7291  104.995    99.056   69.442     181.405  120.099    118.240  17.401  8.7962  18.694  8.9770  -1.293417      12.56821 
1 1 1 -23 -38 21 o 16.051  7.4200  40.532     67.949   47.408     134.700  38.185     78.696   16.954  8.4265  16.136  7.6271  0.8172417      11.36567 
1 1 1 -23 -38 22 o 11.023  5.5024  -85.1364   60.061   -169.0353  155.256  -70.3713   65.131   ?       ?       11.855  5.8868  0.000000       5.886772 
1 1 1 -23 -38 23 o 29.953  9.3621  228.570    75.536   127.568    174.160  251.971    83.831   18.113  9.0887  29.943  9.9105  -11.83003      13.44705 
1 1 1 -23 -38 24 o 21.008  8.4444  115.653    65.865   189.215    121.746  85.214     78.316   20.696  9.6891  18.267  8.2604  2.429159       12.73240 
1 1 1 -23 -38 25 o 28.554  9.0380  201.386    70.178   159.003    132.177  218.023    82.815   19.373  9.3491  27.063  9.8005  -7.690742      13.54459 
1 1 1 -23 -38 26 o 40.862  7.8510  328.449    75.013   357.039    176.426  322.140    82.877   21.954  10.646  37.441  9.1907  -15.48693      14.06419 
1 1 1 -23 -38 27 o 45.217  6.8015  364.129    72.311   424.996    180.868  352.549    78.891   23.162  11.117  41.977  8.0382  -18.81560      13.71874 
1 1 1 -23 -38 28 o 23.998  8.1230  131.457    56.282   247.030    124.153  101.562    63.143   22.692  10.317  20.115  8.2017  2.576841       13.17949 
1 1 1 -23 -38 29 o 15.773  6.9570  40.578     52.001   118.013    118.542  22.127     57.866   18.645  8.9627  14.823  6.8507  3.822085       11.28108 
1 1 1 -23 -38 30 o 11.534  5.5797  -30.8299   47.768   18.694     114.205  -41.3311   52.590   16.210  8.0034  11.619  5.6737  4.591572       9.810471 
1 1 1 -23 -38 31 o 13.302  6.4236  -18.2609   62.629   -125.1717  137.618  9.6655     70.335   14.558  7.3898  14.792  7.0542  -0.2340622     10.21618 
1 1 1 -23 -38 32 o 19.127  8.4967  100.728    78.918   83.087     197.547  104.077    86.085   17.579  8.9163  19.017  8.6244  -1.437426      12.40481 
1 1 1 -23 -38 33 o 21.916  9.0660  144.307    78.591   10.509     202.365  168.071    85.285   ?       ?       22.794  9.4379  0.000000       9.437923 
1 1 1 -23 -38 34 o 26.679  8.6003  167.973    63.324   242.234    146.161  150.812    70.260   21.043  10.072  23.555  8.9324  -2.511358      13.46232 
1 1 1 -23 -38 35 o 38.844  7.5381  287.844    68.485   361.247    139.666  264.608    78.580   25.671  11.358  32.957  9.3783  -7.286358      14.72952 
1 1 1 -23 -38 36 o 28.764  8.4881  185.904    63.308   159.979    134.696  193.255    71.724   19.411  9.3850  27.399  9.1703  -7.987820      13.12150 
1 1 1 -23 -38 37 o 18.848  7.6494  79.134     54.611   142.549    109.430  58.102     63.020   19.754  9.2279  17.034  7.5784  2.720226       11.94099 
1 1 1 -23 -38 38 o 24.430  10.038  212.578    95.484   231.089    219.387  208.252    106.055  18.939  9.5833  22.843  10.009  -3.903873      13.85747 
1 1 1 -23 -38 39 o 19.269  8.7589  110.743    89.446   391.254    213.057  50.723     98.552   20.984  10.457  16.885  8.1300  4.098738       13.24517 
1 1 1 -23 -38 40 o 23.690  9.9251  201.130    95.921   76.327     222.277  229.690    106.332  ?       ?       24.009  10.269  0.000000       10.26930 
1 1 1 -23 -38 41 o 23.420  8.2651  128.766    58.503   174.931    120.166  114.425    66.976   20.501  9.6070  20.947  8.4817  -0.4458199     12.81536 
1 1 1 -23 -38 42 o 10.654  5.2397  -53.6163   47.369   -76.2183   111.898  -48.6818   52.285   14.456  7.2581  11.369  5.5740  3.087073       9.151477 
1 1 1 -23 -38 43 o 17.692  7.6663  66.155     60.750   309.312    135.224  4.6701     67.998   24.419  10.965  14.581  6.9488  9.838437       12.98160 
1 1 1 -23 -38 44 f 17.355  7.4688  60.635     56.871   16.505     126.804  71.747     63.629   16.501  8.1971  18.017  7.8264  -1.515837      11.33339 
1 1 1 -23 -38 45 o 19.408  8.6094  104.559    80.756   71.456     129.712  125.511    103.195  17.590  8.6549  19.492  9.0570  -1.901606      12.52740 
1 1 1 -23 -38 46 o 16.985  7.4809  56.449     59.915   79.879     130.444  50.185     67.451   17.715  8.7091  16.634  7.5786  1.080526       11.54482 
1 1 1 -23 -38 47 o 17.239  7.5680  61.218     60.876   113.027    129.737  46.591     68.936   18.368  8.9569  16.404  7.5436  1.964653       11.71030 
1 1 1 -23 -38 48 o 16.719  7.4674  54.452     61.823   69.333     140.142  50.856     68.888   17.300  8.5979  16.540  7.5822  0.7595577      11.46359 
1 1 1 -23 -38 49 o 15.994  7.5432  39.477     76.205   37.887     163.764  39.916     86.094   16.753  8.4570  16.155  7.7317  0.5981007      11.45860 
1 1 1 -23 -38 50 o 13.214  6.5458  -47.4825   78.734   161.104    173.905  -101.2616  88.303   18.076  9.0720  12.628  6.3540  5.448093       11.07589 
1 1 1 -23 -38 51 o 13.093  6.2936  -8.8584    58.453   -125.2067  135.905  17.550     64.748   ?       ?       14.504  6.8742  0.000000       6.874168 
1 1 1 -23 -38 52 o 13.428  6.3696  5.6196     55.825   -1.0418    136.074  6.9676     61.213   15.372  7.7538  13.757  6.5663  1.615197       10.16059 
1 1 1 -23 -37 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -37 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -37 9  o 8.8945  4.4564  -81.1927   41.101   0.0000     0.0000   -81.1927   41.101   ?       ?       8.8945  4.4564  0.000000       4.456374 
1 1 1 -23 -37 10 o 16.972  7.2684  57.161     53.386   0.0000     0.0000   57.161     53.386   ?       ?       16.972  7.2684  0.000000       7.268402 
1 1 1 -23 -37 11 o 20.725  7.9403  99.666     55.879   0.0000     0.0000   99.666     55.879   ?       ?       20.725  7.9403  0.000000       7.940322 
1 1 1 -23 -37 12 o 16.437  7.0798  48.043     51.186   0.0000     0.0000   48.043     51.186   ?       ?       16.437  7.0798  0.000000       7.079787 
1 1 1 -23 -37 13 o 16.721  7.8369  46.366     80.033   0.0000     0.0000   46.366     80.033   ?       ?       16.721  7.8369  0.000000       7.836902 
1 1 1 -23 -37 14 o 22.345  9.6569  171.919    95.888   0.0000     0.0000   171.919    95.888   ?       ?       22.345  9.6569  0.000000       9.656921 
1 1 1 -23 -37 15 f 16.850  6.9261  51.813     45.485   9.6078     127.919  57.922     48.666   16.526  8.2133  17.371  7.1549  -0.8455715     10.89276 
1 1 1 -23 -37 16 o 13.217  6.0521  7.2019     43.729   68.265     121.378  -1.9058    46.876   17.668  8.6259  12.938  6.0426  4.729311       10.53181 
1 1 1 -23 -37 17 o 17.373  7.5569  60.326     59.480   9.2568     127.811  74.444     67.200   16.468  8.1888  18.193  7.9699  -1.724783      11.42698 
1 1 1 -23 -37 18 o 17.338  7.5695  59.956     60.162   105.104    130.151  47.688     67.846   18.461  8.9952  16.621  7.5833  1.839985       11.76519 
1 1 1 -23 -37 19 o 18.976  8.8627  107.118    100.860  116.186    184.114  103.231    120.559  18.265  9.1883  18.508  8.9311  -0.2429943     12.81364 
1 1 1 -23 -37 20 o 17.888  8.5100  76.618     101.058  50.328     177.179  89.295     123.034  17.472  8.8170  18.127  8.8131  -0.6556416     12.46641 
1 1 1 -23 -37 21 o 23.996  10.286  225.047    107.074  43.304     205.859  292.451    125.367  17.496  8.8965  25.097  10.943  -7.600483      14.10297 
1 1 1 -23 -37 22 o 21.999  8.5075  121.475    64.575   54.424     120.559  148.453    76.470   17.315  8.4839  22.816  9.1244  -5.501320      12.45921 
1 1 1 -23 -37 23 o 9.3864  4.7461  -127.4746  53.078   27.026     101.997  -184.8516  62.157   16.443  8.0012  ?       ?       0.000000       8.001225 
1 1 1 -23 -37 24 o 16.091  7.2987  39.464     61.683   150.301    117.433  -2.7685    72.488   20.071  9.4344  14.593  7.0131  5.478025       11.75551 
1 1 1 -23 -37 25 o 12.986  6.0418  -0.1228    46.155   10.071     114.178  -2.1138    50.462   16.292  8.0362  13.239  6.2106  3.053483       10.15637 
1 1 1 -23 -37 26 o 15.709  6.8913  37.512     50.391   175.670    118.356  6.9226     55.691   20.968  9.7280  14.085  6.5809  6.882773       11.74491 
1 1 1 -23 -37 27 o 10.736  5.2381  -43.6049   44.557   -127.5082  101.517  -23.5849   49.589   13.269  6.6936  12.138  5.8248  1.130978       8.873150 
1 1 1 -23 -37 28 o 17.537  7.3021  60.084     51.467   -7.9036    116.246  76.661     57.399   15.997  7.9296  18.754  7.7520  -2.757440      11.08933 
1 1 1 -23 -37 29 o 16.707  7.1395  50.044     51.308   128.167    116.314  31.170     57.171   19.469  9.2231  15.518  7.0340  3.950397       11.59925 
1 1 1 -23 -37 30 o 13.123  6.1743  -4.8176    50.497   -62.6504   125.606  6.3315     55.150   15.292  7.6795  14.040  6.5560  1.252483       10.09734 
1 1 1 -23 -37 31 o 14.987  6.9870  17.365     62.240   43.299     129.057  9.5047     71.048   17.247  8.5138  15.037  7.1481  2.210048       11.11668 
1 1 1 -23 -37 32 o 15.277  7.1537  19.637     66.439   -32.0074   188.556  26.958     70.993   16.820  8.5490  15.771  7.3882  1.049291       11.29919 
1 1 1 -23 -37 33 o 13.840  6.6450  -12.2684   64.736   -74.7300   188.406  -3.9070    68.933   ?       ?       14.409  6.9022  0.000000       6.902154 
1 1 1 -23 -37 34 o 10.274  5.1019  -72.7899   48.957   -262.0174  188.818  -59.1518   50.691   ?       ?       10.906  5.3747  0.000000       5.374673 
1 1 1 -23 -37 35 o 20.777  7.9437  97.455     55.855   90.918     111.746  99.632     64.489   18.391  8.8039  20.236  8.2741  -1.844667      12.08177 
1 1 1 -23 -37 36 o 9.0109  4.5232  -91.6069   43.341   -9.0791    91.496   -115.4825  49.213   15.242  7.4517  9.1933  4.6403  6.048620       8.778422 
1 1 1 -23 -37 37 o 18.106  7.5425  67.853     54.944   85.153     107.495  61.735     63.925   18.237  8.7039  17.502  7.7169  0.7354183      11.63219 
1 1 1 -23 -37 38 o 26.620  8.4490  159.470    61.297   131.535    119.663  169.407    71.371   19.460  9.2584  25.576  9.1179  -6.115679      12.99441 
1 1 1 -23 -37 39 o 28.553  10.696  273.186    100.041  278.859    211.871  271.559    113.490  20.065  10.062  25.923  10.823  -5.858479      14.77770 
1 1 1 -23 -37 40 o 19.184  8.7527  102.503    90.373   37.414     215.213  116.438    99.578   ?       ?       19.507  9.0054  0.000000       9.005358 
1 1 1 -23 -37 41 o 23.061  8.4616  127.839    62.025   201.826    133.946  107.644    69.979   21.098  9.9655  20.456  8.5159  0.6420937      13.10848 
1 1 1 -23 -37 42 o 12.789  6.1284  -19.3148   54.455   21.184     124.642  -28.8688   60.539   16.762  8.2914  12.917  6.2570  3.844494       10.38742 
1 1 1 -23 -37 43 o 21.369  8.3195  109.827    62.072   161.587    135.642  96.117     69.811   19.959  9.5925  19.681  8.3671  0.2774181      12.72885 
1 1 1 -23 -37 44 o 15.666  7.1136  31.894     58.803   4.2395     128.322  39.245     66.158   16.551  8.2259  16.280  7.4509  0.2711334      11.09872 
1 1 1 -23 -37 45 o 111.022 7.0134  2195.15    187.960  2323.01    266.270  2068.16    265.363  86.614  13.077  73.789  15.322  12.82526       20.14408 
1 1 1 -23 -37 46 o 12.870  6.1893  -22.7009   56.696   29.934     125.033  -36.3248   63.612   17.019  8.3975  12.931  6.2980  4.088405       10.49681 
1 1 1 -23 -37 47 o 15.252  7.0164  24.090     59.700   -36.0884   129.746  40.253     67.241   15.873  7.9474  16.347  7.4926  -0.4742680     10.92252 
1 1 1 -23 -37 48 o 14.237  6.6587  7.7624     57.256   92.359     130.464  -12.4174   63.720   18.284  8.9302  13.760  6.6031  4.523371       11.10629 
1 1 1 -23 -37 49 o 20.322  8.8810  120.481    82.989   35.641     145.389  161.484    101.073  17.112  8.5448  21.303  9.5289  -4.190754      12.79894 
1 1 1 -23 -37 50 o 19.641  8.8034  114.956    86.730   -364.3298  181.665  256.448    98.705   ?       ?       27.033  10.500  0.000000       10.50045 
1 1 1 -23 -37 51 o 17.539  8.2186  73.802     87.928   201.390    185.477  36.816     99.863   18.896  9.4672  16.360  7.9509  2.535246       12.36301 
1 1 1 -23 -37 52 o 15.434  7.0577  36.064     59.176   -15.2763   133.887  48.529     65.970   15.643  7.8650  16.213  7.4277  -0.5699034     10.81800 
1 1 1 -23 -37 53 o 11.323  5.5634  -45.3210   52.980   30.560     129.699  -60.5182   58.043   16.050  8.0228  11.318  5.6093  4.731620       9.789253 
1 1 1 -23 -36 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -36 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -36 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -36 8  o 13.040  5.8903  9.9698     39.690   0.0000     0.0000   9.9698     39.690   ?       ?       13.040  5.8903  0.000000       5.890277 
1 1 1 -23 -36 9  o 13.696  6.2586  10.848     46.432   0.0000     0.0000   10.848     46.432   ?       ?       13.696  6.2586  0.000000       6.258584 
1 1 1 -23 -36 10 o 22.421  8.0898  112.640    56.352   0.0000     0.0000   112.640    56.352   ?       ?       22.421  8.0898  0.000000       8.089827 
1 1 1 -23 -36 11 o 20.389  7.8411  90.688     54.620   0.0000     0.0000   90.688     54.620   ?       ?       20.389  7.8411  0.000000       7.841125 
1 1 1 -23 -36 12 o 22.849  8.3014  119.682    59.486   0.0000     0.0000   119.682    59.486   ?       ?       22.849  8.3014  0.000000       8.301402 
1 1 1 -23 -36 13 o 15.849  7.5109  20.557     77.258   0.0000     0.0000   20.557     77.258   ?       ?       15.849  7.5109  0.000000       7.510861 
1 1 1 -23 -36 14 o 17.172  7.6252  54.120     63.506   267.503    223.647  35.405     66.233   20.044  10.089  16.152  7.4154  3.892056       12.52076 
1 1 1 -23 -36 15 o 14.038  6.3109  16.568     44.934   -59.1531   160.277  23.028     46.811   16.286  8.2359  14.614  6.5145  1.672123       10.50089 
1 1 1 -23 -36 16 o 13.554  6.3193  1.5513     50.921   56.956     162.788  -4.4579    53.612   17.824  8.9212  13.455  6.3398  4.369504       10.94446 
1 1 1 -23 -36 17 o 11.324  5.5436  -49.5977   51.144   -165.0017  112.730  -19.6880   57.390   13.390  6.7855  13.074  6.2718  0.3160486      9.240048 
1 1 1 -23 -36 18 o 21.245  8.5263  112.292    67.033   39.422     127.976  139.845    78.692   17.315  8.5343  22.283  9.1288  -4.968351      12.49676 
1 1 1 -23 -36 19 o 15.971  7.6377  18.901     83.652   -49.4256   126.999  71.263     111.176  15.682  7.8535  18.020  8.6665  -2.338645      11.69556 
1 1 1 -23 -36 20 o 14.278  7.0863  -58.6543   93.925   -151.5025  161.262  -10.9867   115.547  ?       ?       16.097  7.9661  0.000000       7.966054 
1 1 1 -23 -36 21 o 17.954  8.4797  67.726     96.944   315.471    172.751  -46.1586   117.126  22.527  10.826  15.481  7.7204  7.046027       13.29707 
1 1 1 -23 -36 22 o 13.219  6.4220  -33.1209   65.002   14.745     170.957  -41.2105   70.281   17.428  8.7783  13.346  6.5263  4.081430       10.93852 
1 1 1 -23 -36 23 o 17.334  7.6282  55.369     62.176   116.119    113.234  29.146     74.394   19.537  9.2082  16.173  7.5723  3.364134       11.92186 
1 1 1 -23 -36 24 o 15.514  6.7632  33.329     47.865   64.354     108.143  25.770     53.378   17.972  8.6181  15.222  6.8574  2.749675       11.01344 
1 1 1 -23 -36 25 o 27.761  8.0593  157.609    57.489   171.706    122.009  153.587    65.178   21.273  9.8722  25.683  8.7411  -4.410070      13.18590 
1 1 1 -23 -36 26 o 10.242  5.0253  -52.6503   42.753   -119.8623  102.303  -38.4283   47.059   13.646  6.8625  11.352  5.5032  2.293803       8.796550 
1 1 1 -23 -36 27 o 12.939  6.0543  -6.0660    47.421   -67.3255   108.490  8.4023     52.724   14.895  7.4286  14.180  6.5485  0.7143431      9.902897 
1 1 1 -23 -36 28 o 15.248  6.7432  28.339     49.171   -69.0506   111.627  51.786     54.771   15.001  7.4903  17.142  7.3522  -2.140696      10.49570 
1 1 1 -23 -36 29 o 11.220  5.4800  -48.3215   49.128   -109.8726  128.681  -37.8193   53.154   15.006  7.5654  12.061  5.8473  2.944939       9.561767 
1 1 1 -23 -36 30 o 13.157  6.1937  -8.3042    50.945   -32.7730   133.527  -4.1356    55.114   16.341  8.1639  13.712  6.4511  2.628843       10.40512 
1 1 1 -23 -36 31 o 15.829  6.9232  35.429     50.524   27.785     129.103  36.811     54.903   17.371  8.5641  16.071  7.1155  1.299965       11.13440 
1 1 1 -23 -36 32 o 15.025  7.1241  4.4731     69.698   -14.7144   187.178  7.5618     75.098   17.432  8.8245  15.406  7.3312  2.026237       11.47251 
1 1 1 -23 -36 33 o 17.881  7.9637  62.473     69.780   69.722     150.377  60.483     78.775   18.311  9.0667  17.789  8.1375  0.5225277      12.18289 
1 1 1 -23 -36 34 o 24.762  9.5995  173.327    82.371   200.686    155.552  162.665    97.104   20.904  10.102  22.447  9.7096  -1.542984      14.01144 
1 1 1 -23 -36 35 o 15.086  6.8321  22.896     53.801   130.005    114.489  -7.4611    60.951   20.094  9.4035  13.963  6.6326  6.130911       11.50732 
1 1 1 -23 -36 36 o 12.423  5.9276  -20.5535   49.800   47.833     99.934   -43.1470   57.441   17.416  8.3339  12.259  5.9738  5.157379       10.25380 
1 1 1 -23 -36 37 o 15.156  6.8664  24.012     54.402   178.390    107.399  -29.2702   63.095   22.353  9.9216  13.235  6.4052  9.117567       11.80949 
1 1 1 -23 -36 38 o 13.522  6.3271  -1.5626    51.789   77.028     111.823  -23.0226   58.433   18.328  8.7821  13.088  6.2917  5.239331       10.80331 
1 1 1 -23 -36 39 o 15.770  7.5704  10.457     83.927   133.374    202.962  -14.8962   92.176   18.936  9.5411  15.319  7.4873  3.616547       12.12818 
1 1 1 -23 -36 40 o 16.123  7.7141  19.535     85.540   -96.4323   207.367  43.315     93.901   ?       ?       17.124  8.1621  0.000000       8.162107 
1 1 1 -23 -36 41 o 39.359  11.219  434.095    112.363  550.614    231.101  398.024    128.584  23.786  11.673  31.559  12.056  -7.772461      16.78131 
1 1 1 -23 -36 42 o 11.254  5.5162  -52.3286   51.092   9.5867     113.702  -67.9935   57.192   16.554  8.1371  11.401  5.6356  5.152938       9.898036 
1 1 1 -23 -36 43 o 19.872  8.0657  88.904     60.723   70.522     132.447  93.796     68.327   18.131  8.8857  19.845  8.3486  -1.713398      12.19236 
1 1 1 -23 -36 44 o 17.972  7.7082  64.344     60.202   296.897    135.039  6.6608     67.255   25.093  11.132  14.916  7.0503  10.17731       13.17690 
1 1 1 -23 -36 45 o 20.155  8.2025  93.302     63.004   -36.4680   136.700  128.303    70.995   16.262  8.1448  22.401  8.8447  -6.138224      12.02356 
1 1 1 -23 -36 46 o 14.886  6.9010  14.076     59.398   -143.4125  124.923  60.082     67.519   14.360  7.2627  17.707  7.8628  -3.346996      10.70374 
1 1 1 -23 -36 47 o 20.330  8.2658  95.496     63.904   171.060    136.320  74.213     72.346   20.731  9.8685  18.529  8.1875  2.202309       12.82274 
1 1 1 -23 -36 48 o 22.364  8.6330  121.881    66.401   186.707    144.652  104.575    74.741   20.838  9.9860  20.348  8.6541  0.4902763      13.21409 
1 1 1 -23 -36 49 o 18.698  7.8692  74.333     60.743   88.013     134.911  70.855     68.029   18.524  9.0549  18.296  8.0170  0.2281876      12.09391 
1 1 1 -23 -36 50 o 15.014  7.2394  -3.6686    78.839   -67.3939   158.438  17.303     90.891   16.169  8.1777  16.129  7.7762  0.3962708E-01  11.28470 
1 1 1 -23 -36 51 o 16.415  7.7842  34.622     83.254   -137.3446  176.173  84.068     94.468   ?       ?       18.369  8.5786  0.000000       8.578569 
1 1 1 -23 -36 52 o 19.164  8.0212  86.723     62.558   140.771    137.351  72.576     70.270   19.104  9.2935  17.953  7.9939  1.151302       12.25854 
1 1 1 -23 -36 53 o 15.205  7.0418  27.457     61.607   -222.8967  169.498  65.565     66.130   ?       ?       17.378  7.7451  0.000000       7.745133 
1 1 1 -23 -36 54 o 20.946  8.4829  121.354    67.008   64.867     142.615  137.357    75.909   16.905  8.4445  21.178  8.8474  -4.273512      12.23058 
1 1 1 -23 -35 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -35 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -35 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -35 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -35 7  o 37.276  10.762  374.192    102.772  0.0000     0.0000   374.192    102.772  ?       ?       37.276  10.762  0.000000       10.76240 
1 1 1 -23 -35 8  o 13.364  5.9580  12.376     39.164   0.0000     0.0000   12.376     39.164   ?       ?       13.364  5.9580  0.000000       5.957979 
1 1 1 -23 -35 9  o 13.968  6.1763  17.584     41.232   0.0000     0.0000   17.584     41.232   ?       ?       13.968  6.1763  0.000000       6.176274 
1 1 1 -23 -35 10 o 18.841  7.4364  69.854     50.170   0.0000     0.0000   69.854     50.170   ?       ?       18.841  7.4364  0.000000       7.436378 
1 1 1 -23 -35 11 o 15.922  6.9313  36.679     50.122   0.0000     0.0000   36.679     50.122   ?       ?       15.922  6.9313  0.000000       6.931348 
1 1 1 -23 -35 12 o 18.528  7.7515  69.901     58.388   0.0000     0.0000   69.901     58.388   ?       ?       18.528  7.7515  0.000000       7.751486 
1 1 1 -23 -35 13 o 21.244  8.6289  111.348    69.556   98.938     137.315  115.631    80.671   18.917  9.2223  20.811  8.9242  -1.893726      12.83320 
1 1 1 -23 -35 14 o 13.856  6.4639  1.5519     53.398   -93.4044   161.229  13.251     56.592   16.129  8.1677  14.698  6.7865  1.431253       10.61924 
1 1 1 -23 -35 15 o 15.278  7.1689  13.314     67.309   100.766    155.824  -6.7456    74.630   18.865  9.3206  14.844  7.1292  4.021134       11.73455 
1 1 1 -23 -35 16 o 17.335  7.3588  54.175     53.860   -67.4401   122.861  83.107     59.925   15.457  7.7383  19.573  7.9864  -4.116712      11.12047 
1 1 1 -23 -35 17 o 22.391  8.4152  115.568    62.031   25.456     128.933  142.709    70.759   17.353  8.5558  23.862  8.9839  -6.508940      12.40614 
1 1 1 -23 -35 18 o 22.913  8.7187  126.783    67.082   269.387    129.290  74.252     78.471   24.962  10.992  18.571  8.3452  6.390625       13.80102 
1 1 1 -23 -35 19 o 16.942  7.4547  47.010     59.370   48.597     119.997  46.495     68.317   17.857  8.6869  17.068  7.7171  0.7887974      11.61969 
1 1 1 -23 -35 20 o 15.654  7.6182  -11.1972   92.519   -21.0340   162.658  -6.4928    112.487  17.237  8.6666  16.449  8.0868  0.7883377      11.85351 
1 1 1 -23 -35 21 o 18.243  8.6193  63.219     100.319  136.568    182.677  31.547     120.040  19.638  9.7691  17.549  8.5701  2.089212       12.99543 
1 1 1 -23 -35 22 o 17.466  8.3372  39.429     98.712   -247.6181  180.944  161.054    117.782  ?       ?       21.622  9.9128  0.000000       9.912780 
1 1 1 -23 -35 23 o 24.190  7.8225  117.142    52.356   63.133     115.105  131.231    58.790   18.427  8.8511  24.824  8.3024  -6.397112      12.13556 
1 1 1 -23 -35 24 o 14.714  6.5333  20.451     46.608   -2.1650    107.589  25.676     51.713   16.576  8.0992  15.385  6.8536  1.191316       10.60979 
1 1 1 -23 -35 25 o 24.507  7.9769  121.686    54.394   103.778    116.527  126.675    61.506   19.784  9.3298  24.017  8.4747  -4.232485      12.60421 
1 1 1 -23 -35 26 o 17.978  7.3747  58.088     51.440   73.137     113.117  54.165     57.757   18.856  8.9796  17.660  7.5616  1.195484       11.73926 
1 1 1 -23 -35 27 o 14.628  6.5419  17.628     47.615   -74.3823   107.865  39.896     53.065   15.057  7.4931  16.518  7.1613  -1.460677      10.36484 
1 1 1 -23 -35 28 o 14.220  6.4808  9.3587     49.378   -50.8680   128.807  19.734     53.462   16.314  8.1297  15.156  6.8421  1.157615       10.62570 
1 1 1 -23 -35 29 o 26.670  8.3479  147.275    60.033   196.232    137.481  135.741    66.731   22.383  10.418  24.341  8.8002  -1.958206      13.63748 
1 1 1 -23 -35 30 o 25.711  8.1730  135.071    57.341   104.073    132.830  142.171    63.569   19.746  9.4909  25.474  8.6327  -5.727282      12.82967 
1 1 1 -23 -35 31 o 15.781  6.9191  31.060     50.745   47.994     125.827  27.771     55.454   18.293  8.8982  15.777  7.0574  2.516663       11.35715 
1 1 1 -23 -35 32 o 21.691  7.9399  96.880     54.566   234.718    121.644  62.159     61.053   24.958  10.831  18.277  7.7986  6.680769       13.34682 
1 1 1 -23 -35 33 f 21.400  8.8128  110.297    73.815   120.194    154.001  107.345    84.106   19.884  9.7099  20.698  8.9946  -0.8139191     13.23575 
1 1 1 -23 -35 34 o 13.694  6.5660  -22.3712   62.734   31.201     134.357  -37.3071   70.942   17.932  8.8203  13.788  6.7009  4.143892       11.07697 
1 1 1 -23 -35 35 o 17.400  7.5980  50.902     60.634   -68.4184   143.481  76.843     66.902   16.357  8.2135  19.182  8.1736  -2.824467      11.58751 
1 1 1 -23 -35 36 o 17.071  7.3260  47.977     54.435   67.364     111.494  41.910     62.374   18.539  8.8526  16.822  7.5079  1.717461       11.60758 
1 1 1 -23 -35 37 o 20.122  7.9328  84.756     57.027   94.418     121.088  82.002     64.645   19.290  9.2151  19.547  8.1653  -0.2571926     12.31222 
1 1 1 -23 -35 38 o 16.414  7.1965  39.644     54.890   -48.5291   119.895  63.025     61.740   15.870  7.8980  18.159  7.7976  -2.288241      11.09871 
1 1 1 -23 -35 39 o 12.460  5.9462  -22.5747   50.141   -121.7282  117.721  -0.5998    55.419   14.516  7.3082  13.998  6.5484  0.5178585      9.812797 
1 1 1 -23 -35 40 o 18.928  8.7296  82.504     93.237   171.423    192.597  55.287     106.555  19.960  9.9455  17.959  8.5969  2.000557       13.14605 
1 1 1 -23 -35 41 o 17.019  8.0592  35.805     88.636   43.616     210.695  34.125     97.702   18.359  9.3008  17.149  8.2152  1.209761       12.40950 
1 1 1 -23 -35 42 o 11.735  5.7292  -48.6419   53.537   223.762    115.573  -123.0658  60.410   24.299  10.552  10.422  5.2454  13.87721       11.78351 
1 1 1 -23 -35 43 o 23.702  8.3832  125.319    60.219   8.0706     125.155  160.640    68.693   17.003  8.3916  26.028  8.9705  -9.025162      12.28371 
1 1 1 -23 -35 44 o 11.877  5.7956  -47.7067   54.583   -224.9257  121.363  -2.7708    61.112   ?       ?       14.265  6.7359  0.000000       6.735881 
1 1 1 -23 -35 45 f 15.676  7.4513  9.9303     77.177   49.275     124.140  -14.8566   98.532   17.920  8.7433  15.759  7.7104  2.161038       11.65747 
1 1 1 -23 -35 46 o 20.742  8.3510  98.439     64.528   48.083     134.396  113.526    73.562   18.008  8.8504  21.319  8.7907  -3.311481      12.47426 
1 1 1 -23 -35 47 o 11.117  5.4694  -61.4014   51.754   -128.8802  123.103  -46.9139   57.040   14.646  7.3858  12.184  5.9406  2.461951       9.478424 
1 1 1 -23 -35 48 o 14.450  6.7414  4.2998     58.103   130.160    130.066  -27.0778   64.943   20.125  9.5964  13.603  6.5621  6.521727       11.62548 
1 1 1 -23 -35 49 o 13.950  6.5071  0.4851     54.097   -108.1442  127.685  24.250     59.721   15.126  7.6146  15.594  7.1149  -0.4681845     10.42137 
1 1 1 -23 -35 50 o 20.930  9.0320  117.359    83.629   101.925    170.170  122.273    96.024   19.017  9.4551  20.627  9.2529  -1.610430      13.22934 
1 1 1 -23 -35 51 o 13.416  6.6255  -62.0909   78.455   0.0000     0.0000   -62.0909   78.455   ?       ?       13.416  6.6255  0.000000       6.625487 
1 1 1 -23 -35 52 o 31.691  9.3680  237.008    77.054   196.663    199.287  244.100    83.553   19.722  9.8710  30.666  9.8782  -10.94398      13.96484 
1 1 1 -23 -35 53 o 18.325  8.2800  77.827     78.499   -5.4739    148.398  110.191    92.500   16.689  8.3762  19.557  8.8965  -2.868277      12.21921 
1 1 1 -23 -35 54 o 16.095  8.0736  -15.8488   136.916  -15.8488   136.916  0.0000     0.0000   16.095  8.0736  ?       ?       0.000000       8.073606 
1 1 1 -23 -34 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -34 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -34 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -34 5  o 9.4116  4.0624  3.1174     16.927   0.0000     0.0000   3.1174     16.927   ?       ?       9.4116  4.0624  0.000000       4.062438 
1 1 1 -23 -34 6  o 14.816  5.6944  32.402     28.796   0.0000     0.0000   32.402     28.796   ?       ?       14.816  5.6944  0.000000       5.694399 
1 1 1 -23 -34 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -34 8  o 23.315  7.5656  106.164    48.943   0.0000     0.0000   106.164    48.943   ?       ?       23.315  7.5656  0.000000       7.565604 
1 1 1 -23 -34 9  o 14.966  6.3831  28.423     40.868   0.0000     0.0000   28.423     40.868   ?       ?       14.966  6.3831  0.000000       6.383149 
1 1 1 -23 -34 10 o 17.794  7.0186  56.688     44.665   0.0000     0.0000   56.688     44.665   ?       ?       17.794  7.0186  0.000000       7.018630 
1 1 1 -23 -34 11 o 11.301  5.4157  -28.7187   42.544   0.0000     0.0000   -28.7187   42.544   ?       ?       11.301  5.4157  0.000000       5.415725 
1 1 1 -23 -34 12 o 17.202  7.3289  50.618     53.771   -118.6169  209.703  62.528     55.631   ?       ?       18.163  7.5797  0.000000       7.579696 
1 1 1 -23 -34 13 o 18.528  7.0611  63.214     44.044   -149.0004  120.132  96.169     47.341   14.253  7.2009  22.219  7.4502  -7.966310      10.36133 
1 1 1 -23 -34 14 o 16.169  7.3447  31.272     62.755   137.176    153.899  10.151     68.728   20.005  9.7553  15.383  7.2266  4.622561       12.14039 
1 1 1 -23 -34 15 o 16.299  7.5707  26.624     72.005   385.849    163.889  -59.3023   80.155   26.534  11.979  13.750  6.7727  12.78479       13.76089 
1 1 1 -23 -34 16 o 23.598  8.6117  126.380    64.119   256.801    169.198  104.509    69.287   22.487  10.783  21.162  8.6058  1.325134       13.79575 
1 1 1 -23 -34 17 o 20.964  8.2303  95.161     61.148   13.314     125.649  120.561    69.996   17.443  8.5698  22.504  8.8143  -5.061146      12.29365 
1 1 1 -23 -34 18 o 17.721  7.4473  54.662     54.278   153.226    121.761  30.218     60.636   21.527  9.9447  16.173  7.2951  5.353664       12.33355 
1 1 1 -23 -34 19 o 13.738  6.4680  -9.4838    55.583   46.062     104.087  -31.6426   65.742   18.060  8.6043  13.661  6.5927  4.399694       10.83966 
1 1 1 -23 -34 20 o 18.795  7.9038  67.035     61.200   -17.1003   109.645  105.109    73.758   16.512  8.0906  21.266  8.7888  -4.754238      11.94570 
1 1 1 -23 -34 21 o 13.379  6.5265  -49.9184   69.074   -187.5313  160.974  -18.8611   76.473   15.709  7.9758  14.957  7.1918  0.7519817      10.73942 
1 1 1 -23 -34 22 o 21.629  9.1714  114.913    83.515   -54.0014   182.965  159.369    93.864   17.819  8.9882  23.830  9.8868  -6.011282      13.36176 
1 1 1 -23 -34 23 o 23.572  9.6391  146.419    87.533   -144.5842  188.485  226.438    98.838   17.020  8.6407  28.106  10.610  -11.08534      13.68317 
1 1 1 -23 -34 24 f 14.179  6.4030  9.1713     46.867   -111.7732  103.588  40.301     52.553   14.380  7.1853  16.798  7.2032  -2.418042      10.17424 
1 1 1 -23 -34 25 o 16.040  6.9230  32.151     49.153   114.037    102.142  7.4744     56.072   21.151  9.5112  14.838  6.8161  6.313608       11.70138 
1 1 1 -23 -34 26 o 17.937  7.3052  53.701     50.022   -114.1646  113.051  94.566     55.779   14.904  7.4561  21.817  8.0214  -6.912745      10.95156 
1 1 1 -23 -34 27 o 19.697  7.7574  72.708     54.484   92.842     125.642  68.045     60.464   20.159  9.5605  19.174  7.9435  0.9847984      12.42988 
1 1 1 -23 -34 28 o 21.479  8.1127  92.364     57.810   -1.8602    190.799  101.888    60.661   18.839  9.4610  22.224  8.3278  -3.385881      12.60411 
1 1 1 -23 -34 29 o 10.636  5.1898  -51.8861   43.762   -121.1244  125.672  -42.3318   46.684   15.428  7.7388  11.426  5.5246  4.002238       9.508414 
1 1 1 -23 -34 30 o 19.811  7.8197  74.137     55.479   120.506    130.225  63.855     61.322   20.993  9.8886  18.845  7.9175  2.147804       12.66777 
1 1 1 -23 -34 31 o 15.359  6.8095  21.702     50.451   139.975    112.657  -7.9675    56.425   22.085  9.9545  14.070  6.5900  8.014817       11.93816 
1 1 1 -23 -34 32 o 14.011  6.4422  1.3273     50.242   52.566     111.067  -11.8553   56.336   18.782  8.9313  13.858  6.5206  4.924100       11.05829 
1 1 1 -23 -34 33 o 19.030  8.3237  67.534     73.044   -49.0163   148.436  104.775    83.907   17.308  8.6415  21.149  9.0862  -3.840580      12.53936 
1 1 1 -23 -34 34 o 22.736  9.5826  136.002    90.289   83.556     158.500  161.196    109.856  19.758  9.6907  23.013  10.133  -3.254055      14.02097 
1 1 1 -23 -34 35 o 21.474  9.3638  117.309    91.812   143.660    150.220  101.597    115.999  21.070  10.118  20.267  9.4785  0.8028030      13.86417 
1 1 1 -23 -34 36 o 16.791  7.4264  37.976     59.651   8.2395     115.997  48.667     69.552   17.431  8.4931  17.721  7.9172  -0.2899132     11.61095 
1 1 1 -23 -34 37 o 21.224  8.1658  93.777     59.255   74.868     125.383  99.215     67.237   19.249  9.2435  21.220  8.5311  -1.971292      12.57860 
1 1 1 -23 -34 38 o 13.124  6.2086  -16.5698   52.361   -58.8086   115.068  -5.5395    58.802   15.797  7.8409  14.221  6.6819  1.576455       10.30185 
1 1 1 -23 -34 39 o 14.188  6.5788  1.8043     54.018   -66.5027   118.786  19.613     60.652   15.751  7.8423  15.607  7.1397  0.1442127      10.60555 
1 1 1 -23 -34 40 o 17.031  8.0442  28.477     87.256   -71.0531   205.659  50.326     96.359   17.677  8.9793  18.037  8.4993  -0.3596401     12.36385 
1 1 1 -23 -34 41 o 18.006  8.3955  53.179     89.906   92.652     209.790  44.298     99.507   19.315  9.7282  17.818  8.4671  1.496990       12.89689 
1 1 1 -23 -34 42 o 13.719  6.7810  -69.6071   82.815   -103.5332  203.893  -62.9045   90.627   ?       ?       14.373  7.1026  0.000000       7.102638 
1 1 1 -23 -34 43 o 12.266  5.9489  -41.1124   55.138   82.582     117.648  -75.9285   62.417   19.080  9.1059  11.864  5.8686  7.215291       10.83319 
1 1 1 -23 -34 44 o 20.908  8.2085  95.038     60.823   8.4137     130.923  118.879    68.685   17.375  8.5769  22.399  8.7429  -5.023781      12.24750 
1 1 1 -23 -34 45 o 12.248  6.1048  -97.8389   72.802   68.624     118.418  -198.9881  92.308   18.644  8.9611  11.960  6.0694  6.683517       10.82303 
1 1 1 -23 -34 46 o 14.912  6.9075  10.163     59.334   -75.7795   130.431  32.589     66.627   15.859  7.9446  16.450  7.5093  -0.5916424     10.93188 
1 1 1 -23 -34 47 o 20.165  8.3037  88.992     65.531   374.425    147.517  18.818     73.144   28.393  12.119  16.053  7.5137  12.34027       14.25910 
1 1 1 -23 -34 48 o 20.826  8.3082  94.961     63.245   149.718    141.078  81.189     70.753   20.792  9.9363  19.475  8.3547  1.316626       12.98195 
1 1 1 -23 -34 49 o 28.937  8.9894  184.865    69.762   260.138    145.007  162.196    79.576   24.106  11.032  25.028  9.5025  -0.9214821     14.56051 
1 1 1 -23 -34 50 o 16.368  7.6132  25.175     73.214   24.574     133.625  25.432     87.520   17.821  8.7718  16.859  7.9907  0.9623013      11.86574 
1 1 1 -23 -34 51 o 18.570  8.4139  69.110     81.709   0.0000     174.217  88.599     92.515   17.871  8.9831  19.426  8.8601  -1.555019      12.61738 
1 1 1 -23 -34 52 o 19.715  9.8357  145.443    190.840  145.443    190.840  0.0000     0.0000   19.715  9.8357  ?       ?       0.000000       9.835682 
1 1 1 -23 -34 53 o 18.941  9.3013  98.339     147.420  98.339     147.420  0.0000     0.0000   18.941  9.3013  ?       ?       0.000000       9.301251 
1 1 1 -23 -34 54 o 17.979  8.9394  62.564     152.135  62.564     152.135  0.0000     0.0000   17.979  8.9394  ?       ?       0.000000       8.939378 
1 1 1 -23 -34 55 o 13.442  6.6977  -73.9985   87.316   -387.1747  221.639  -16.4637   94.998   ?       ?       15.137  7.4400  0.000000       7.440026 
1 1 1 -23 -33 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -33 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -33 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -33 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -33 5  o 9.6821  3.6516  10.508     11.701   0.0000     0.0000   10.508     11.701   ?       ?       9.6821  3.6516  0.000000       3.651638 
1 1 1 -23 -33 6  o 15.600  5.8949  36.909     30.532   0.0000     0.0000   36.909     30.532   ?       ?       15.600  5.8949  0.000000       5.894920 
1 1 1 -23 -33 7  o 13.053  5.6566  13.421     33.081   0.0000     0.0000   13.421     33.081   ?       ?       13.053  5.6566  0.000000       5.656569 
1 1 1 -23 -33 8  o 34.183  8.2901  227.368    68.052   0.0000     0.0000   227.368    68.052   ?       ?       34.183  8.2901  0.000000       8.290127 
1 1 1 -23 -33 9  o 14.795  6.2767  26.770     39.146   0.0000     0.0000   26.770     39.146   ?       ?       14.795  6.2767  0.000000       6.276692 
1 1 1 -23 -33 10 o 11.347  5.3847  -22.3684   39.974   243.424    128.430  -50.8798   42.063   24.738  10.921  10.319  5.0467  14.41891       12.03096 
1 1 1 -23 -33 11 o 11.904  5.6057  -16.6070   41.789   22.837     198.714  -18.4322   42.745   18.523  9.3462  11.923  5.6311  6.599840       10.91149 
1 1 1 -23 -33 12 o 12.963  5.9040  1.9153     40.897   255.049    124.727  -28.5785   43.290   25.780  11.077  11.480  5.4912  14.30017       12.36342 
1 1 1 -23 -33 13 o 16.482  6.9106  41.070     46.562   56.570     153.368  39.496     48.869   18.809  9.2843  16.416  6.9902  2.392923       11.62160 
1 1 1 -23 -33 14 o 21.536  8.6184  104.567    68.274   164.089    120.885  76.687     82.733   22.213  10.130  19.249  8.6149  2.963348       13.29781 
1 1 1 -23 -33 15 o 18.030  8.1090  53.327     74.283   31.724     157.369  59.520     84.260   18.586  9.2156  18.470  8.4364  0.1161804      12.49404 
1 1 1 -23 -33 16 o 14.829  7.1538  -25.4963   77.221   80.043     161.647  -56.7024   87.899   19.598  9.6464  14.589  7.1675  5.008891       12.01774 
1 1 1 -23 -33 17 o 14.731  6.7048  10.396     52.629   -53.7500   116.567  26.820     58.983   16.170  8.0020  16.141  7.2453  0.2857018E-01  10.79474 
1 1 1 -23 -33 18 o 25.515  8.1792  128.614    57.335   32.313     115.672  159.980    66.016   18.298  8.8097  27.698  8.7657  -9.399765      12.42776 
1 1 1 -23 -33 19 o 15.881  7.1346  22.303     57.320   12.108     104.149  26.733     68.652   17.503  8.4104  16.721  7.6289  0.7816086      11.35492 
1 1 1 -23 -33 20 o 16.404  6.9487  35.772     47.861   145.673    106.411  7.9006     53.587   22.902  10.031  14.786  6.7437  8.116152       12.08729 
1 1 1 -23 -33 21 o 18.796  8.4232  57.130     79.370   71.844     182.482  53.696     88.145   20.169  9.9866  18.775  8.5957  1.393509       13.17640 
1 1 1 -23 -33 22 o 22.152  9.1879  110.831    81.030   311.531    181.989  61.205     90.495   25.481  11.902  19.226  8.7666  6.255434       14.78240 
1 1 1 -23 -33 23 o 23.556  9.5221  131.882    84.264   336.163    187.271  80.024     94.355   26.030  12.130  20.199  9.1066  5.831545       15.16828 
1 1 1 -23 -33 24 o 11.363  5.4558  -36.9129   43.650   -152.1452  100.046  -9.8206    48.510   13.695  6.8744  13.374  6.2129  0.3211040      9.265925 
1 1 1 -23 -33 25 o 16.347  7.0031  32.161     49.588   -52.3780   122.779  48.640     54.206   16.913  8.3407  17.883  7.4741  -0.9701920     11.19957 
1 1 1 -23 -33 26 o 24.052  8.0223  109.298    54.892   -6.0656    132.303  133.286    60.329   18.269  8.9376  26.183  8.3897  -7.914358      12.25838 
1 1 1 -23 -33 27 o 22.876  8.0753  99.728     55.850   198.835    131.260  77.818     61.716   24.771  10.983  20.419  8.1859  4.352886       13.69804 
1 1 1 -23 -33 28 f 13.627  6.3464  -10.9448   51.129   57.976     125.799  -24.5826   55.960   19.797  9.4394  13.453  6.3802  6.344268       11.39333 
1 1 1 -23 -33 29 o 15.507  6.7856  21.916     48.589   29.399     106.750  19.961     54.570   18.535  8.7969  15.791  7.0369  2.744740       11.26509 
1 1 1 -23 -33 30 o 33.408  7.4685  190.787    59.021   50.643     121.595  233.982    67.507   19.503  9.2937  36.578  7.8416  -17.07575      12.15994 
1 1 1 -23 -33 31 o 20.205  7.8687  74.231     55.539   -14.2649   115.992  100.555    63.263   17.541  8.5347  22.399  8.4803  -4.858089      12.03152 
1 1 1 -23 -33 32 o 12.469  6.0164  -43.6428   54.665   -124.1708  105.436  -14.0382   63.928   14.572  7.2763  14.640  6.9059  -0.6826878E-01 10.03175 
1 1 1 -23 -33 33 o 22.460  8.4810  101.959    63.167   122.344    122.551  94.584     73.713   21.775  10.030  21.346  8.8006  0.4289017      13.34376 
1 1 1 -23 -33 34 o 21.147  9.2544  98.414     90.399   -39.2943   146.408  183.260    114.922  17.854  8.8588  24.681  10.619  -6.826794      13.82930 
1 1 1 -23 -33 35 o 21.914  9.4332  113.437    90.765   306.637    146.265  -7.5521    115.747  27.942  12.000  17.526  8.5272  10.41598       14.72153 
1 1 1 -23 -33 36 o 15.574  7.1893  8.7625     63.451   175.824    140.768  -33.8351   71.082   22.915  10.624  14.320  6.8971  8.595679       12.66619 
1 1 1 -23 -33 37 o 20.821  8.0506  84.448     57.817   58.877     121.022  92.011     65.813   19.304  9.2191  21.148  8.4621  -1.844387      12.51390 
1 1 1 -23 -33 38 o 22.630  8.3009  104.667    59.685   54.278     122.337  120.407    68.374   19.083  9.1551  23.394  8.8260  -4.311033      12.71669 
1 1 1 -23 -33 39 o 10.809  5.3310  -70.8061   50.208   -164.7400  112.819  -47.6075   56.066   14.061  7.0883  12.315  5.9785  1.745514       9.272881 
1 1 1 -23 -33 40 o 18.130  7.6783  56.014     58.419   259.145    124.071  -1.8474    66.218   26.915  11.283  15.057  7.0798  11.85870       13.32002 
1 1 1 -23 -33 41 o 18.458  8.5297  56.039     89.673   -269.2726  209.168  129.293    99.257   ?       ?       21.797  9.6131  0.000000       9.613065 
1 1 1 -23 -33 42 o 19.547  8.9072  81.911     93.231   -20.4008   216.645  105.165    103.284  18.550  9.4011  20.456  9.3423  -1.906267      13.25363 
1 1 1 -23 -33 43 o 17.397  7.5931  47.614     60.492   41.039     128.485  49.486     68.567   18.376  8.9502  17.676  7.8817  0.6992493      11.92590 
1 1 1 -23 -33 44 o 14.552  6.7295  5.1933     55.967   -128.9206  122.908  40.276     62.862   14.922  7.5065  16.952  7.5536  -2.030324      10.64918 
1 1 1 -23 -33 45 o 12.650  6.1325  -41.7871   58.430   28.765     134.733  -58.1298   64.846   18.116  8.8953  12.704  6.2242  5.412250       10.85664 
1 1 1 -23 -33 46 o 15.627  7.1514  19.393     60.928   37.215     139.596  15.200     67.719   18.346  9.0172  15.769  7.3304  2.576634       11.62091 
1 1 1 -23 -33 47 o 20.224  8.4315  88.618     68.740   94.480     180.772  87.628     74.323   19.570  9.7326  19.985  8.5679  -0.4147434     12.96656 
1 1 1 -23 -33 48 o 38.112  8.0583  270.426    72.190   280.765    152.278  267.429    81.988   24.694  11.303  35.104  9.4265  -10.41067      14.71766 
1 1 1 -23 -33 49 o 34.606  8.7735  241.507    73.771   200.921    154.386  253.516    83.979   22.226  10.557  33.243  9.7666  -11.01674      14.38211 
1 1 1 -23 -33 50 o 39.378  8.2318  291.426    76.121   367.120    158.445  268.713    86.793   27.548  12.148  34.091  9.9042  -6.542534      15.67358 
1 1 1 -23 -33 51 o 16.266  8.2340  -137.9795  162.977  -137.9795  162.977  0.0000     0.0000   16.266  8.2340  ?       ?       0.000000       8.233973 
1 1 1 -23 -33 52 o 25.258  12.159  484.907    220.170  484.907    220.170  0.0000     0.0000   25.258  12.159  ?       ?       0.000000       12.15920 
1 1 1 -23 -33 53 o 21.241  9.1395  117.543    85.129   93.744     153.327  128.149    102.354  19.322  9.4877  21.071  9.4936  -1.748215      13.42184 
1 1 1 -23 -33 54 o 29.136  9.0248  191.582    70.370   354.860    166.997  156.331    77.595   24.940  11.565  24.401  9.3549  0.5391312      14.87524 
1 1 1 -23 -33 55 o 19.760  7.9631  85.267     58.734   7.5043     159.781  97.416     63.156   17.342  8.7022  20.530  8.2631  -3.188755      12.00029 
1 1 1 -23 -33 56 o 11.360  5.7475  -154.5742  78.702   186.877    246.361  -193.3811  83.054   ?       ?       11.103  5.6462  0.000000       5.646163 
1 1 1 -23 -32 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -32 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -32 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -32 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -32 5  o 14.775  5.5793  31.190     27.338   0.0000     0.0000   31.190     27.338   ?       ?       14.775  5.5793  0.000000       5.579300 
1 1 1 -23 -32 6  o 15.922  5.7328  38.839     28.280   0.0000     0.0000   38.839     28.280   ?       ?       15.922  5.7328  0.000000       5.732770 
1 1 1 -23 -32 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -32 8  o 22.611  8.1519  105.858    57.203   0.0000     0.0000   105.858    57.203   ?       ?       22.611  8.1519  0.000000       8.151883 
1 1 1 -23 -32 9  o 9.1385  4.5441  -73.4426   39.353   -273.9360  97.574   -34.4957   43.005   ?       ?       11.210  5.3909  0.000000       5.390883 
1 1 1 -23 -32 10 o 16.416  6.6809  40.774     41.797   52.615     126.530  39.324     44.283   18.721  9.0625  16.350  6.7877  2.370817       11.32263 
1 1 1 -23 -32 11 o 16.010  6.7231  35.335     44.180   101.028    127.538  26.378     47.096   20.139  9.5748  15.404  6.7121  4.735332       11.69314 
1 1 1 -23 -32 12 o 10.996  5.1952  -21.4490   36.443   -22.9888   142.937  -21.3419   37.689   17.576  8.7263  11.187  5.2848  6.388865       10.20188 
1 1 1 -23 -32 13 o 9.8521  4.8122  -49.3415   37.895   -89.2362   102.913  -43.0839   40.758   14.834  7.3715  10.564  5.1214  4.269387       8.975998 
1 1 1 -23 -32 14 o 11.125  5.3716  -40.7368   43.777   163.663    108.248  -80.7033   47.866   23.593  10.228  10.211  5.0665  13.38183       11.41442 
1 1 1 -23 -32 15 o 20.283  8.8826  84.546     83.408   76.508     163.957  87.353     96.881   20.101  9.8582  20.329  9.1906  -0.2273617     13.47784 
1 1 1 -23 -32 16 o 19.610  8.6028  70.647     78.539   176.147    165.388  39.928     89.244   22.479  10.747  18.255  8.4615  4.224262       13.67829 
1 1 1 -23 -32 17 o 23.016  8.2940  104.340    59.207   9.0015     141.769  124.480    65.161   18.752  9.1906  24.554  8.7166  -5.801748      12.66676 
1 1 1 -23 -32 18 o 34.726  7.4407  204.756    60.808   295.247    116.296  170.708    71.336   32.058  11.613  28.716  9.1147  3.342422       14.76295 
1 1 1 -23 -32 19 o 19.365  7.4675  63.760     49.640   13.611     108.849  76.929     55.778   18.198  8.7052  20.574  7.9207  -2.376581      11.76939 
1 1 1 -23 -32 20 o 18.647  7.2273  56.305     46.682   14.343     99.159   68.254     52.913   17.956  8.5091  19.840  7.6932  -1.884733      11.47125 
1 1 1 -23 -32 21 o 17.461  7.1511  43.692     48.270   68.381     105.958  37.226     54.224   20.222  9.3190  17.160  7.3364  3.061998       11.86030 
1 1 1 -23 -32 22 o 19.849  8.7234  65.574     81.074   115.448    174.470  51.839     91.560   21.906  10.614  19.339  8.8181  2.567526       13.79914 
1 1 1 -23 -32 23 o 16.732  7.7616  8.6753     75.295   -45.1301   173.046  21.241     83.626   19.033  9.4747  17.737  8.2106  1.296503       12.53727 
1 1 1 -23 -32 24 o 16.819  7.2001  32.941     52.350   -59.3038   177.696  41.708     54.781   18.981  9.4731  17.636  7.4504  1.344648       12.05193 
1 1 1 -23 -32 25 o 25.938  8.3155  125.530    59.261   473.935    191.637  88.690     62.315   32.334  13.807  21.799  8.3772  10.53492       16.14968 
1 1 1 -23 -32 26 o 21.232  7.7772  79.273     52.365   82.855     125.106  78.512     57.659   21.198  9.8905  20.985  8.0596  0.2125301      12.75849 
1 1 1 -23 -32 27 o 13.741  6.3095  -6.1053    47.970   0.3696     115.723  -7.4487    52.712   18.418  8.8539  14.175  6.5467  4.242835       11.01142 
1 1 1 -23 -32 28 o 11.959  5.7090  -35.1327   46.303   -110.1455  107.029  -17.8609   51.357   15.276  7.5789  13.461  6.2992  1.815283       9.854867 
1 1 1 -23 -32 29 o 25.186  8.0877  115.796    56.042   146.726    114.340  106.016    64.294   23.986  10.455  23.399  8.6106  0.5863476      13.54414 
1 1 1 -23 -32 30 f 28.071  8.3258  145.191    60.784   118.559    117.857  154.842    70.948   22.571  10.177  27.724  9.1144  -5.152699      13.66167 
1 1 1 -23 -32 31 o 15.945  7.1336  16.488     56.669   -60.0194   110.454  43.822     66.020   16.556  8.1138  18.241  7.9476  -1.684984      11.35771 
1 1 1 -23 -32 32 o 11.881  5.8075  -65.7167   55.478   -146.8650  107.961  -36.5994   64.670   14.573  7.2898  13.973  6.6911  0.6001778      9.895041 
1 1 1 -23 -32 33 o 24.196  8.5988  114.645    63.428   115.759    122.091  114.233    74.232   22.227  10.154  23.409  9.1024  -1.181610      13.63634 
1 1 1 -23 -32 34 f 20.378  8.9277  74.870     84.331   64.168     142.335  80.658     104.683  20.528  9.8555  20.762  9.4521  -0.2335873     13.65552 
1 1 1 -23 -32 35 o 12.314  6.1163  -106.0365  70.507   -80.6771   126.475  -117.4716  84.929   16.727  8.2880  13.367  6.6514  3.359846       10.62697 
1 1 1 -23 -32 36 o 19.923  8.5228  70.593     73.259   15.747     145.837  89.103     84.724   19.254  9.4121  21.053  9.0880  -1.798967      13.08353 
1 1 1 -23 -32 37 o 15.467  7.0030  12.190     56.492   -55.2255   120.501  31.181     63.956   16.849  8.3003  17.084  7.6152  -0.2349510     11.26437 
1 1 1 -23 -32 38 o 12.952  6.1755  -30.3331   53.851   61.495     116.384  -55.3484   60.745   19.741  9.3140  12.710  6.1825  7.031101       11.17915 
1 1 1 -23 -32 39 o 10.090  5.0325  -95.7397   49.822   13.177     133.231  -113.4469  53.720   18.599  9.0712  10.134  5.0799  8.465479       10.39675 
1 1 1 -23 -32 40 o 12.762  6.1008  -31.4727   53.266   -83.3812   118.954  -18.4539   59.572   15.965  7.9324  13.978  6.6156  1.987519       10.32906 
1 1 1 -23 -32 41 o 16.509  7.8889  -2.1318    88.899   -96.4716   238.890  13.033     95.777   ?       ?       17.311  8.2491  0.000000       8.249107 
1 1 1 -23 -32 42 o 23.593  10.064  157.067    101.629  250.250    259.893  140.246    110.421  21.788  10.955  22.301  9.9686  -0.5128803     14.81144 
1 1 1 -23 -32 43 o 15.645  7.5590  -21.7451   87.025   -471.5750  247.228  41.876     92.976   ?       ?       18.112  8.4756  0.000000       8.475639 
1 1 1 -23 -32 44 o 19.138  8.0452  68.837     63.373   54.354     142.357  72.417     70.773   19.114  9.3343  19.336  8.3267  -0.2219887     12.50855 
1 1 1 -23 -32 45 o 16.344  7.3839  27.846     62.402   -144.6377  139.663  70.869     69.751   15.566  7.8519  19.195  8.2660  -3.628812      11.40082 
1 1 1 -23 -32 46 o 22.075  8.5172  105.404    64.605   259.006    145.290  67.548     72.128   24.875  11.250  18.949  8.2801  5.926233       13.96837 
1 1 1 -23 -32 47 o 23.784  9.1020  133.298    73.374   267.344    255.528  121.252    76.600   21.538  10.833  22.526  9.0883  -0.9882030     14.14071 
1 1 1 -23 -32 48 o 21.226  8.4380  96.142     65.022   252.992    148.985  59.237     72.268   24.405  11.174  18.443  8.1647  5.961817       13.83905 
1 1 1 -23 -32 49 o 33.258  10.148  263.128    89.368   206.760    149.549  294.439    111.458  22.917  10.732  31.104  11.354  -8.187098      15.62312 
1 1 1 -23 -32 50 o 22.948  10.801  211.219    154.750  211.219    154.750  0.0000     0.0000   22.948  10.801  ?       ?       0.000000       10.80066 
1 1 1 -23 -32 51 o ?       ?       -289.1705  153.153  -289.1705  153.153  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -32 52 o 22.043  10.868  243.212    208.104  243.212    208.104  0.0000     0.0000   22.043  10.868  ?       ?       0.000000       10.86828 
1 1 1 -23 -32 53 o 22.223  8.5606  108.712    65.184   5.6986     157.619  129.965    71.593   18.175  9.0468  23.555  8.9964  -5.379225      12.75857 
1 1 1 -23 -32 54 o 17.677  7.5580  53.222     57.552   76.284     156.588  49.620     61.883   19.184  9.4528  17.481  7.6533  1.703327       12.16257 
1 1 1 -23 -32 55 o 16.296  7.3632  33.289     62.077   114.489    158.637  18.606     67.456   19.577  9.6205  15.744  7.3179  3.833098       12.08743 
1 1 1 -23 -32 56 o 22.252  10.031  182.239    114.448  107.223    273.533  198.159    126.008  ?       ?       22.185  10.201  0.000000       10.20105 
1 1 1 -23 -31 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -31 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -31 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -31 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -31 5  o 14.030  6.2492  11.962     42.985   0.0000     0.0000   11.962     42.985   ?       ?       14.030  6.2492  0.000000       6.249241 
1 1 1 -23 -31 6  o ?       ?       -265.8066  8.0508   0.0000     0.0000   -265.8066  8.0508   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -31 7  o 28.975  10.037  209.518    86.057   0.0000     0.0000   209.518    86.057   ?       ?       28.975  10.037  0.000000       10.03745 
1 1 1 -23 -31 8  o 12.399  6.2285  -141.4151  82.946   0.0000     0.0000   -141.4151  82.946   ?       ?       12.399  6.2285  0.000000       6.228527 
1 1 1 -23 -31 9  o 13.811  6.1837  8.7349     42.678   62.485     94.568   -5.0121    47.825   19.014  8.7772  13.430  6.2142  5.584481       10.75432 
1 1 1 -23 -31 10 o 20.131  7.6980  75.452     52.459   113.560    110.247  64.298     59.644   21.201  9.6707  18.970  7.8766  2.231461       12.47254 
1 1 1 -23 -31 11 o 16.396  6.5424  39.154     39.224   97.890     119.319  32.037     41.533   20.646  9.6418  15.768  6.5622  4.877541       11.66304 
1 1 1 -23 -31 12 o 21.935  7.2542  85.200     44.918   82.496     110.578  85.735     49.157   20.267  9.4029  21.645  7.5811  -1.377913      12.07842 
1 1 1 -23 -31 13 o 18.415  7.2214  55.477     47.026   251.317    113.727  15.086     51.648   29.154  11.286  15.229  6.8118  13.92542       13.18226 
1 1 1 -23 -31 14 o 23.488  7.8820  102.066    52.988   258.300    118.530  63.046     59.236   29.299  11.472  19.254  7.9079  10.04514       13.93318 
1 1 1 -23 -31 15 o 15.919  7.4860  -5.4933    74.059   90.195     155.708  -33.4687   84.192   21.143  10.190  15.569  7.5008  5.574060       12.65277 
1 1 1 -23 -31 16 o 16.876  7.6196  22.564     66.333   -21.8206   129.387  38.389     77.259   18.172  8.8795  18.252  8.2336  -0.7974243E-01 12.10943 
1 1 1 -23 -31 17 o 13.891  6.6545  -37.6449   64.116   -23.9961   122.857  -42.7535   75.163   17.987  8.7588  14.700  7.0835  3.286166       11.26463 
1 1 1 -23 -31 18 o 23.314  7.3366  92.726     46.299   85.673     107.686  94.326     51.280   21.285  9.6503  23.082  7.7539  -1.796864      12.37944 
1 1 1 -23 -31 19 o 20.544  7.3159  70.450     45.935   191.581    106.604  42.831     50.904   27.292  10.818  17.684  7.3043  9.608040       13.05338 
1 1 1 -23 -31 20 o 21.348  7.5538  77.652     48.897   169.128    105.479  52.613     55.185   26.043  10.607  18.741  7.6574  7.301748       13.08261 
1 1 1 -23 -31 21 f 18.559  7.3361  51.840     48.893   65.198     106.641  48.285     55.015   20.691  9.4662  18.404  7.5969  2.287169       12.13761 
1 1 1 -23 -31 22 o 22.318  9.3316  96.686     84.548   160.677    187.122  80.270     94.774   23.760  11.379  21.322  9.3991  2.437555       14.75861 
1 1 1 -23 -31 23 o 17.921  8.2063  20.405     80.403   158.132    172.030  -18.0888   90.948   23.949  11.307  16.960  8.0697  6.988747       13.89091 
1 1 1 -23 -31 24 o 24.428  9.6482  124.587    84.506   372.061    175.661  50.068     96.393   31.368  13.301  19.972  9.0838  11.39674       16.10713 
1 1 1 -23 -31 25 o 18.760  7.4414  52.424     50.470   -2.9908    126.395  62.935     55.049   19.162  9.2217  19.852  7.8041  -0.6895866     12.08070 
1 1 1 -23 -31 26 o 18.975  7.5425  54.166     51.951   -27.2070   116.497  74.365     58.042   18.117  8.7516  20.961  8.0770  -2.843880      11.90924 
1 1 1 -23 -31 27 o 18.705  7.4584  51.595     50.944   192.873    104.411  7.4525     58.363   28.239  10.846  15.789  7.1363  12.45040       12.98287 
1 1 1 -23 -31 28 o 23.543  7.9247  96.635     53.565   204.834    109.586  62.669     61.400   28.622  11.079  19.918  8.1007  8.703554       13.72451 
1 1 1 -23 -31 29 o 18.316  7.7117  44.172     58.378   53.230     105.425  40.166     70.108   20.380  9.3562  18.550  8.1331  1.830233       12.39701 
1 1 1 -23 -31 30 o 21.753  8.2960  83.332     60.821   -14.2829   113.865  122.302    71.945   18.327  8.8031  24.951  9.1196  -6.624241      12.67523 
1 1 1 -23 -31 31 o 27.293  8.6020  137.751    63.623   182.077    116.372  118.853    75.985   26.525  11.007  24.355  9.2763  2.170364       14.39461 
1 1 1 -23 -31 32 o 29.713  8.6299  161.955    65.904   190.950    119.571  149.303    78.985   26.756  11.135  26.796  9.5878  -0.4069710E-01 14.69364 
1 1 1 -23 -31 33 o 23.190  8.4213  99.128     61.207   5.0250     120.170  132.092    71.124   19.008  9.1070  25.796  9.1122  -6.788691      12.88285 
1 1 1 -23 -31 34 o 17.286  7.6402  28.312     63.034   -45.3572   109.195  65.128     77.194   17.074  8.3014  20.148  8.6862  -3.074282      12.01511 
1 1 1 -23 -31 35 o 17.205  7.7363  23.386     67.572   -24.2124   137.173  38.637     77.646   18.713  9.1437  18.544  8.3192  0.1695442      12.36194 
1 1 1 -23 -31 36 o 20.279  8.5761  70.115     72.710   -3.0710    143.487  95.401     84.340   19.282  9.4062  21.936  9.2545  -2.654636      13.19551 
1 1 1 -23 -31 37 o 15.682  7.0060  14.784     54.457   101.337    118.158  -8.5588    61.362   21.863  9.9877  14.938  6.9555  6.924390       12.17099 
1 1 1 -23 -31 38 o 16.630  7.3150  26.939     57.122   37.565     123.232  24.032     64.465   19.591  9.3416  16.883  7.5768  2.708578       12.02802 
1 1 1 -23 -31 39 o 35.931  8.2763  231.015    70.668   219.890    166.772  233.450    78.018   24.567  11.448  34.607  9.1512  -10.04031      14.65600 
1 1 1 -23 -31 40 o 29.643  8.6286  168.935    65.819   190.001    135.985  162.490    75.217   24.459  10.989  27.475  9.3900  -3.015965      14.45424 
1 1 1 -23 -31 41 o 17.645  8.3554  14.020     95.252   321.969    265.634  -31.4199   102.037  23.544  11.723  16.538  8.0371  7.005812       14.21359 
1 1 1 -23 -31 42 o 24.103  10.170  156.222    101.879  187.265    257.440  150.457    110.935  21.817  10.961  23.327  10.229  -1.509789      14.99273 
1 1 1 -23 -31 43 o 15.267  7.4450  -46.5121   89.653   107.871    247.061  -69.9242   96.211   20.807  10.489  15.064  7.4202  5.742450       12.84839 
1 1 1 -23 -31 44 o 18.260  7.7555  54.294     59.873   131.806    137.272  36.084     66.535   21.559  10.154  17.235  7.7187  4.323530       12.75500 
1 1 1 -23 -31 45 f 16.664  7.4325  31.381     61.022   205.642    146.371  -5.2788    67.135   23.531  10.882  15.105  7.1106  8.426499       12.99945 
1 1 1 -23 -31 46 f 17.592  7.7116  45.237     63.006   -63.4211   143.497  71.188     70.128   17.084  8.5241  19.411  8.3223  -2.327387      11.91302 
1 1 1 -23 -31 47 o 17.220  7.5262  41.564     59.613   215.183    143.988  5.6482     65.489   23.800  10.929  15.452  7.1915  8.348314       13.08304 
1 1 1 -23 -31 48 o 26.508  9.8947  177.863    85.474   179.892    153.926  176.958    102.776  22.319  10.584  24.628  10.292  -2.309710      14.76311 
1 1 1 -23 -31 49 o 25.936  11.716  296.764    157.091  296.764    157.091  0.0000     0.0000   25.936  11.716  ?       ?       0.000000       11.71646 
1 1 1 -23 -31 50 o 28.333  12.410  369.813    162.872  369.813    162.872  0.0000     0.0000   28.333  12.410  ?       ?       0.000000       12.41008 
1 1 1 -23 -31 51 o 27.137  10.308  196.902    93.660   22.227     202.320  244.547    105.665  19.413  9.7485  29.036  10.968  -9.623529      14.67399 
1 1 1 -23 -31 52 o 19.379  8.7922  69.647     89.578   -121.9074  180.979  131.802    103.091  17.341  8.7677  22.217  9.7976  -4.875982      13.14785 
1 1 1 -23 -31 53 o 31.649  10.488  253.251    93.872   509.429    203.766  184.235    105.763  28.656  13.101  24.782  10.404  3.874708       16.72964 
1 1 1 -23 -31 54 o 10.875  5.3608  -69.3158   50.519   -71.5025   142.409  -69.0010   54.033   16.736  8.3718  11.314  5.5707  5.421521       10.05585 
1 1 1 -23 -31 55 o 15.524  7.1030  17.704     60.063   -117.4114  148.575  44.099     65.668   16.090  8.1142  17.287  7.7104  -1.197149      11.19331 
1 1 1 -23 -31 56 o 19.192  9.0505  85.262     109.645  94.397     267.306  83.414     120.224  ?       ?       19.100  9.1401  0.000000       9.140145 
1 1 1 -23 -31 57 o 22.744  10.338  209.556    124.606  -12.9859   282.049  263.524    138.896  ?       ?       23.755  10.843  0.000000       10.84311 
1 1 1 -23 -30 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -30 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -30 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -30 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -30 5  o 16.212  6.8009  35.432     45.131   0.0000     0.0000   35.432     45.131   ?       ?       16.212  6.8009  0.000000       6.800904 
1 1 1 -23 -30 6  o ?       ?       -357.1724  8.8785   0.0000     0.0000   -357.1724  8.8785   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -30 7  o 17.199  7.4196  41.211     56.402   61.943     100.700  31.734     68.083   19.262  8.9492  17.052  7.7074  2.210020       11.81070 
1 1 1 -23 -30 8  o 21.992  9.3199  111.820    86.162   0.0000     0.0000   111.820    86.162   ?       ?       21.992  9.3199  0.000000       9.319918 
1 1 1 -23 -30 9  o 22.442  7.6685  92.510     50.166   117.391    102.171  84.606     57.585   21.980  9.7205  21.093  8.0655  0.8873997      12.63092 
1 1 1 -23 -30 10 o 18.052  7.3061  51.019     49.671   -21.0141   105.910  71.331     56.240   17.017  8.2512  19.970  7.8762  -2.952320      11.40687 
1 1 1 -23 -30 11 f 14.587  6.1987  20.089     38.285   -74.8419   99.704   36.507     41.463   15.408  7.5826  16.433  6.6666  -1.024662      10.09648 
1 1 1 -23 -30 12 o 29.265  7.2525  143.381    51.238   88.641     116.606  156.480    57.040   21.166  9.7620  29.925  7.7825  -8.758406      12.48453 
1 1 1 -23 -30 13 o 30.435  7.3518  154.701    53.682   216.295    113.835  137.086    60.877   27.955  11.148  27.093  8.3943  0.8616371      13.95519 
1 1 1 -23 -30 14 o 16.311  6.9119  29.434     47.382   59.386     110.484  22.684     52.450   20.324  9.4185  16.136  7.0556  4.187805       11.76815 
1 1 1 -23 -30 15 o 12.285  5.9838  -63.5438   57.441   21.709     120.252  -88.7464   65.382   19.422  9.2516  12.394  6.1074  7.027163       11.08566 
1 1 1 -23 -30 16 o 14.323  6.8869  -45.9307   70.115   0.0000     0.0000   -45.9307   70.115   ?       ?       14.323  6.8869  0.000000       6.886944 
1 1 1 -23 -30 17 o 22.220  8.3101  87.920     60.347   -3.3900    126.854  114.628    68.607   19.156  9.2235  24.443  8.9098  -5.287134      12.82408 
1 1 1 -23 -30 18 o 11.200  5.2851  -26.7483   37.509   49.758     96.376   -40.4053   40.719   20.069  9.1106  10.997  5.2773  9.072188       10.52869 
1 1 1 -23 -30 19 o 31.769  6.9873  158.926    52.397   190.270    135.611  153.426    56.809   26.433  11.454  30.367  7.6991  -3.933773      13.80115 
1 1 1 -23 -30 20 o 12.642  5.8766  -18.4843   43.521   18.192     98.897   -27.2929   48.467   18.980  8.8348  12.830  6.0401  6.149908       10.70217 
1 1 1 -23 -30 21 o 15.750  6.7234  21.259     45.413   105.966    104.262  1.4257     50.451   23.228  10.054  14.772  6.6596  8.455560       12.05969 
1 1 1 -23 -30 22 o 15.979  7.4243  -9.9590    69.324   16.590     114.756  -25.2154   86.991   19.692  9.2780  16.731  7.9408  2.960875       12.21218 
1 1 1 -23 -30 23 o 17.566  8.0220  11.465     76.143   -103.3785  169.037  40.699     85.285   19.082  9.4768  19.549  8.7480  -0.4662781     12.89716 
1 1 1 -23 -30 24 o 24.303  9.6732  115.495    85.551   101.717    184.747  119.256    96.524   23.456  11.253  24.292  10.048  -0.8359070     15.08574 
1 1 1 -23 -30 25 o 28.463  7.9147  135.898    56.642   125.781    123.705  138.582    63.714   24.282  10.719  27.942  8.5762  -3.660194      13.72781 
1 1 1 -23 -30 26 o 9.4963  4.7352  -95.2550   43.981   4.8830     99.111   -119.8086  49.077   18.680  8.7445  9.5984  4.8175  9.082070       9.983685 
1 1 1 -23 -30 27 o 16.398  7.2038  17.544     55.242   20.482     103.192  16.364     65.403   19.473  9.0512  17.126  7.6625  2.347254       11.85909 
1 1 1 -23 -30 28 o 24.810  8.3990  108.211    60.173   175.168    112.630  81.465     71.184   27.290  11.017  21.912  8.7889  5.377983       14.09304 
1 1 1 -23 -30 29 o 13.784  6.4336  -21.2846   53.006   -87.8357   104.866  1.5535     61.431   16.186  7.9268  15.924  7.2462  0.2619057      10.73968 
1 1 1 -23 -30 30 o 10.916  5.3888  -86.5002   51.721   -146.6095  103.043  -66.2552   59.800   14.721  7.3255  12.664  6.1540  2.057437       9.567335 
1 1 1 -23 -30 31 o 23.717  8.3876  99.040     60.279   185.758    119.260  69.284     69.860   27.403  11.234  20.862  8.5803  6.541351       14.13568 
1 1 1 -23 -30 32 o 22.169  8.0275  83.293     55.559   51.162     116.000  92.858     63.290   20.922  9.6799  22.915  8.5221  -1.992754      12.89674 
1 1 1 -23 -30 33 o 14.556  6.6645  -6.2174    52.994   176.530    120.399  -50.1294   59.019   26.597  11.130  13.129  6.3143  13.46804       12.79600 
1 1 1 -23 -30 34 o 25.050  8.3932  112.596    60.084   124.164    120.571  108.774    69.302   23.816  10.545  24.068  8.9243  -0.2518921     13.81418 
1 1 1 -23 -30 35 o 17.639  7.8965  24.232     69.563   207.371    137.281  -39.0390   80.690   27.054  11.623  15.608  7.4741  11.44604       13.81845 
1 1 1 -23 -30 36 o 19.155  8.3187  48.451     71.847   89.662     141.668  34.181     83.363   22.217  10.417  18.808  8.5123  3.408241       13.45278 
1 1 1 -23 -30 37 o 21.116  9.0024  77.436     81.228   145.818    146.379  47.010     97.640   23.881  10.986  19.821  9.0643  4.060719       14.24278 
1 1 1 -23 -30 38 o 15.042  6.8717  0.1847     55.932   -46.0723   128.260  11.047     62.153   17.992  8.8017  16.197  7.3386  1.794275       11.45969 
1 1 1 -23 -30 39 o 14.681  6.7793  -6.2943    56.496   -136.5787  132.760  22.517     62.431   16.344  8.1618  16.835  7.5126  -0.4909039     11.09299 
1 1 1 -23 -30 40 o 22.851  8.5304  99.622     63.530   88.269     138.977  102.621    71.430   21.496  10.153  22.754  8.9064  -1.257584      13.50574 
1 1 1 -23 -30 41 o 30.775  8.6010  177.329    66.715   -37.0003   145.103  234.783    75.127   18.429  9.0844  35.575  8.7612  -17.14588      12.62080 
1 1 1 -23 -30 42 o 13.340  6.6279  -111.9368  83.008   -354.1294  239.335  -78.8195   88.502   ?       ?       14.585  7.1710  0.000000       7.170996 
1 1 1 -23 -30 43 o 16.896  8.0692  -6.5377    92.713   46.549     250.010  -15.0023   99.832   20.745  10.469  16.973  8.1748  3.772097       13.28292 
1 1 1 -23 -30 44 o 25.192  8.7019  129.247    64.657   21.080     148.698  154.467    71.800   19.226  9.4207  26.908  9.1744  -7.682074      13.14983 
1 1 1 -23 -30 45 o 15.839  7.2379  13.441     62.104   59.217     144.581  3.0833     68.772   19.882  9.6402  15.755  7.3450  4.126609       12.11950 
1 1 1 -23 -30 46 o 20.728  8.3034  83.997     63.447   32.062     149.288  95.446     70.092   19.233  9.4274  21.443  8.6787  -2.209385      12.81390 
1 1 1 -23 -30 47 o 16.834  8.4033  -82.7455   140.153  -82.7455   140.153  0.0000     0.0000   16.834  8.4033  ?       ?       0.000000       8.403265 
1 1 1 -23 -30 48 o 25.220  11.592  273.596    162.499  273.596    162.499  0.0000     0.0000   25.220  11.592  ?       ?       0.000000       11.59216 
1 1 1 -23 -30 49 o 21.392  10.744  172.253    246.193  172.253    246.193  0.0000     0.0000   21.392  10.744  ?       ?       0.000000       10.74364 
1 1 1 -23 -30 50 o 26.499  8.9325  148.679    68.057   257.376    145.374  118.170    77.018   25.789  11.490  22.817  9.1456  2.972544       14.68507 
1 1 1 -23 -30 51 o 20.005  8.2018  75.444     63.583   -94.8593   141.545  118.497    71.168   16.725  8.3634  23.302  8.9530  -6.576473      12.25163 
1 1 1 -23 -30 52 o 15.549  7.3448  -6.4790    72.769   22.385     177.249  -12.3301   79.805   19.428  9.6578  15.766  7.5177  3.661345       12.23882 
1 1 1 -23 -30 53 o 21.857  9.0004  105.289    76.983   79.126     173.662  111.688    85.882   20.277  9.9844  21.944  9.3026  -1.666784      13.64645 
1 1 1 -23 -30 54 o 19.248  8.1121  67.666     64.698   167.416    150.805  45.165     71.625   22.248  10.529  17.880  8.0079  4.368114       13.22790 
1 1 1 -23 -30 55 o 16.271  7.1905  30.630     55.812   -86.1173   139.122  53.023     60.930   16.482  8.2492  18.003  7.7390  -1.520748      11.31111 
1 1 1 -23 -30 56 o 20.441  9.4639  108.632    111.158  34.567     269.957  123.753    121.979  ?       ?       20.799  9.7251  0.000000       9.725066 
1 1 1 -23 -30 57 o 19.958  9.4164  110.801    118.965  -90.8126   274.043  157.618    132.057  ?       ?       21.163  9.9655  0.000000       9.965466 
1 1 1 -23 -29 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -29 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -29 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -29 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -29 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -29 6  o 8.4601  3.5199  3.7818     11.945   72.302     25.782   -14.9472   13.479   22.300  4.8988  6.5234  3.1047  15.77675       5.799728 
1 1 1 -23 -29 7  o 15.037  6.2215  26.104     37.021   -20.8468   94.785   34.555     40.215   16.513  7.9563  16.118  6.5557  0.3946552      10.30917 
1 1 1 -23 -29 8  o 26.902  9.2609  153.027    73.201   193.173    147.768  139.971    84.267   24.263  11.116  24.663  9.6681  -0.4003868     14.73215 
1 1 1 -23 -29 9  o 12.215  5.6559  -13.2614   39.720   -52.9956   89.406   -3.4907    44.335   15.423  7.5016  13.446  6.1332  1.976331       9.689693 
1 1 1 -23 -29 10 o 16.828  7.0199  35.480     47.690   -63.5224   91.632   72.258     55.850   15.373  7.5033  20.450  7.9110  -5.076504      10.90338 
1 1 1 -23 -29 11 o 25.250  8.0244  114.139    55.278   30.887     108.642  143.220    64.211   19.329  9.0821  27.602  8.6325  -8.273043      12.53016 
1 1 1 -23 -29 12 o 16.587  7.2378  24.831     54.938   -44.7038   106.026  50.352     64.234   16.990  8.2421  18.913  8.0327  -1.922190      11.50902 
1 1 1 -23 -29 13 o 14.848  6.8256  -5.4653    56.361   11.509     165.242  -7.6999    59.956   20.588  10.055  15.077  6.9699  5.510909       12.23414 
1 1 1 -23 -29 14 o 16.843  6.9363  33.958     45.729   245.655    105.307  -15.2392   50.765   32.512  11.111  13.738  6.3728  18.77436       12.80847 
1 1 1 -23 -29 15 o 13.403  5.8893  5.0435     36.937   -28.8896   93.004   11.398     40.248   16.948  8.0905  14.359  6.2311  2.588159       10.21188 
1 1 1 -23 -29 16 o 14.566  6.6162  -2.9506    50.918   2.1412     116.894  -4.1429    56.567   19.316  9.1786  15.094  6.9013  4.222554       11.48366 
1 1 1 -23 -29 17 o 15.473  6.9481  5.1279     54.296   88.301     117.136  -17.6332   61.276   22.619  10.177  14.901  6.9423  7.718136       12.31944 
1 1 1 -23 -29 18 o 14.916  6.3630  16.105     40.624   -44.8256   114.826  24.823     43.433   18.011  8.6975  15.992  6.6875  2.019516       10.97132 
1 1 1 -23 -29 19 o 11.705  5.4931  -25.6775   39.535   4.2650     94.054   -32.1033   43.571   18.516  8.6179  11.980  5.6664  6.535884       10.31388 
1 1 1 -23 -29 20 o 12.732  5.8110  -10.6747   39.880   6.4884     109.638  -13.2917   42.813   19.468  9.1399  12.987  5.9623  6.480928       10.91266 
1 1 1 -23 -29 21 o 16.177  6.9105  21.222     48.036   164.622    116.117  -8.3863    52.763   27.022  11.082  14.591  6.6690  12.43152       12.93382 
1 1 1 -23 -29 22 o 18.326  7.3161  43.898     49.073   105.015    117.449  30.971     54.014   23.875  10.496  17.484  7.3926  6.391636       12.83803 
1 1 1 -23 -29 23 o 19.794  8.8783  35.205     88.385   0.0000     0.0000   35.205     88.385   ?       ?       19.794  8.8783  0.000000       8.878313 
1 1 1 -23 -29 24 o 24.658  9.8158  113.590    88.104   -56.7658   213.581  148.523    96.716   21.720  10.763  26.965  10.416  -5.245447      14.97834 
1 1 1 -23 -29 25 o 24.138  9.6638  105.765    85.884   108.913    218.793  105.192    93.379   24.652  11.930  24.026  9.9054  0.6258907      15.50595 
1 1 1 -23 -29 26 o 26.287  8.4474  118.224    61.129   222.767    118.126  79.988     71.439   30.983  11.619  22.199  8.8382  8.783747       14.59835 
1 1 1 -23 -29 27 o 27.796  8.3279  130.712    60.588   96.959     116.401  143.255    70.958   23.611  10.412  28.227  9.1044  -4.616041      13.83093 
1 1 1 -23 -29 28 o 30.338  8.3070  154.322    62.943   182.048    118.853  143.515    74.202   28.191  11.339  27.954  9.3275  0.2368450      14.68266 
1 1 1 -23 -29 29 o 23.503  8.4658  93.470     61.678   147.924    118.780  73.367     72.171   26.147  11.004  21.637  8.7892  4.509947       14.08338 
1 1 1 -23 -29 30 o 13.733  6.3128  -13.6885   48.203   115.699    105.700  -47.6627   54.163   24.487  10.347  12.792  6.1249  11.69533       12.02395 
1 1 1 -23 -29 31 o 9.8512  4.8833  -85.7275   44.081   -35.5547   102.519  -97.1077   48.825   17.723  8.4698  10.231  5.0830  7.491652       9.877987 
1 1 1 -23 -29 32 o 13.388  6.2427  -22.6122   49.720   -45.3797   131.116  -18.7884   53.733   18.985  9.1992  14.100  6.5462  4.885289       11.29060 
1 1 1 -23 -29 33 o 13.288  6.2504  -29.0256   51.698   -48.9520   116.726  -24.1630   57.662   18.090  8.7439  14.260  6.6735  3.830004       10.99964 
1 1 1 -23 -29 34 o 20.582  8.0431  65.933     58.181   6.1829     119.141  84.644     66.671   19.752  9.3506  22.309  8.6398  -2.557409      12.73108 
1 1 1 -23 -29 35 o 18.459  8.4117  19.599     83.147   -192.6337  145.257  123.028    101.403  16.690  8.3644  24.509  10.231  -7.818657      13.21518 
1 1 1 -23 -29 36 o 20.629  9.1344  57.958     90.502   40.936     142.322  69.513     117.264  21.310  10.126  21.750  9.9414  -0.4398880     14.19064 
1 1 1 -23 -29 37 f 16.208  7.7134  -30.5889   83.157   -20.8267   136.639  -36.3315   104.799  19.390  9.3945  17.473  8.4061  1.916950       12.60628 
1 1 1 -23 -29 38 o 22.174  8.5646  86.983     65.381   -80.0093   126.571  147.758    76.357   17.478  8.5897  27.279  9.4545  -9.801535      12.77386 
1 1 1 -23 -29 39 o 17.406  7.5522  31.052     59.112   116.289    135.033  10.846     65.746   23.167  10.618  16.592  7.5294  6.574829       13.01685 
1 1 1 -23 -29 40 o 25.280  8.4755  117.882    61.268   -52.0000   138.750  159.030    68.286   18.396  9.0316  29.067  8.8712  -10.67053      12.65965 
1 1 1 -23 -29 41 o 19.828  8.1018  63.623     61.781   -118.5251  138.053  109.237    69.085   16.981  8.4545  23.690  8.8852  -6.708858      12.26478 
1 1 1 -23 -29 42 o 16.754  8.0186  -21.2244   92.618   110.355    248.945  -42.3629   99.781   22.287  11.137  16.529  8.0130  5.758390       13.71976 
1 1 1 -23 -29 43 o 16.368  7.8192  -19.8481   87.177   -725.3672  248.479  79.185     93.095   ?       ?       20.815  9.2383  0.000000       9.238324 
1 1 1 -23 -29 44 o 21.771  8.5394  91.465     65.770   193.304    140.777  63.030     74.387   24.687  11.127  19.575  8.4827  5.111511       13.99192 
1 1 1 -23 -29 45 o 21.609  8.4840  90.766     64.979   292.399    148.447  42.976     72.270   28.108  12.081  18.196  8.1042  9.912380       14.54759 
1 1 1 -23 -29 46 o 23.107  10.635  159.903    137.388  159.903    137.388  0.0000     0.0000   23.107  10.635  ?       ?       0.000000       10.63499 
1 1 1 -23 -29 47 o 24.480  11.183  213.775    148.110  213.775    148.110  0.0000     0.0000   24.480  11.183  ?       ?       0.000000       11.18293 
1 1 1 -23 -29 48 o 24.304  11.065  205.538    143.457  205.538    143.457  0.0000     0.0000   24.304  11.065  ?       ?       0.000000       11.06501 
1 1 1 -23 -29 49 o 14.633  6.8545  -8.8142    61.086   186.837    212.674  -26.4067   63.773   22.202  10.954  14.087  6.7177  8.115115       12.85000 
1 1 1 -23 -29 50 o 20.782  8.4292  84.262     66.272   96.600     144.242  80.960     74.613   20.857  9.9889  20.391  8.6590  0.4660606      13.21955 
1 1 1 -23 -29 51 o 16.548  7.3750  26.983     59.950   148.040    130.148  -5.6204    67.543   22.681  10.406  15.309  7.1830  7.372123       12.64465 
1 1 1 -23 -29 52 o 34.150  10.593  275.062    96.908   372.602    199.943  245.113    110.791  26.644  12.456  29.224  11.184  -2.579865      16.74028 
1 1 1 -23 -29 53 o 25.094  9.7659  151.424    85.504   120.994    178.406  160.498    97.422   21.410  10.454  24.789  10.157  -3.378550      14.57547 
1 1 1 -23 -29 54 o 17.723  7.8624  41.456     67.361   -27.7728   147.169  59.803     75.763   18.122  8.9721  19.018  8.3925  -0.8966236     12.28548 
1 1 1 -23 -29 55 o 16.862  7.5153  32.495     62.269   20.154     148.054  35.147     68.635   18.875  9.2791  17.284  7.7820  1.591131       12.11038 
1 1 1 -23 -29 56 o 20.081  9.4443  89.349     117.933  28.352     269.088  103.851    131.205  ?       ?       20.481  9.7295  0.000000       9.729523 
1 1 1 -23 -29 57 o 15.504  7.6889  -64.6673   109.752  -373.4845  261.908  1.1126     120.877  ?       ?       17.331  8.4924  0.000000       8.492396 
1 1 1 -23 -28 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -28 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -28 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -28 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -28 6  o 15.927  6.2984  33.735     36.055   128.464    86.410   13.766     39.674   23.876  9.6457  14.217  6.1779  9.658578       11.45453 
1 1 1 -23 -28 7  o 8.4354  4.1358  -47.1929   28.794   -88.0936   75.005   -40.1230   31.184   13.332  6.5639  9.2567  4.4856  4.075166       7.950184 
1 1 1 -23 -28 8  o 58.887  7.6435  570.320    106.638  289.693    205.275  674.045    124.799  26.157  12.349  62.249  8.4835  -36.09206      14.98267 
1 1 1 -23 -28 9  o 24.338  7.3976  99.516     47.555   45.254     136.817  106.972    50.717   20.681  9.8562  24.990  7.6486  -4.308939      12.47581 
1 1 1 -23 -28 10 o 32.909  6.8390  169.144    52.826   139.736    90.613   184.285    65.019   25.399  10.004  32.667  8.2119  -7.268864      12.94253 
1 1 1 -23 -28 11 o 25.870  7.9341  115.051    54.542   258.974    106.516  63.905     63.498   33.627  11.173  20.204  8.2299  13.42249       13.87705 
1 1 1 -23 -28 12 o 21.780  8.1637  79.970     58.303   71.139     108.501  83.555     69.132   21.613  9.7528  21.987  8.7131  -0.3747482     13.07804 
1 1 1 -23 -28 13 o 14.733  6.7206  -5.1724    53.249   0.9982     109.371  -7.0895    60.963   19.061  9.0038  15.422  7.0928  3.638769       11.46195 
1 1 1 -23 -28 14 o 20.915  7.1807  68.489     43.995   156.342    101.024  47.928     48.873   26.891  10.572  18.610  7.3415  8.280821       12.87108 
1 1 1 -23 -28 15 o 34.613  6.2017  175.587    50.173   288.916    105.841  142.739    56.982   37.550  10.945  29.520  7.8278  8.030785       13.45621 
1 1 1 -23 -28 16 o 20.836  8.0094  66.903     56.974   69.085     121.143  66.283     64.559   22.360  10.175  20.903  8.3750  1.457146       13.17868 
1 1 1 -23 -28 17 o 30.605  8.5515  159.472    65.957   -68.3059   129.159  239.827    76.714   18.506  9.0050  37.992  8.5307  -19.48582      12.40410 
1 1 1 -23 -28 18 o 40.404  7.9318  259.098    74.985   344.138    139.857  224.790    88.833   37.496  12.804  34.671  10.005  2.824398       16.24930 
1 1 1 -23 -28 19 o 30.691  7.1964  145.141    52.661   313.709    121.117  105.846    58.477   38.119  11.845  25.195  8.2743  12.92386       14.44898 
1 1 1 -23 -28 20 o 13.701  6.2380  -10.2094   45.603   0.0000     0.0000   -10.2094   45.603   ?       ?       13.701  6.2380  0.000000       6.238037 
1 1 1 -23 -28 21 o 28.840  7.6980  132.136    54.875   125.387    120.217  133.913    61.675   25.479  10.909  28.358  8.3807  -2.879147      13.75668 
1 1 1 -23 -28 22 o 42.798  6.0013  260.062    60.607   319.670    128.158  242.891    68.784   37.997  12.234  39.944  7.3684  -1.946533      14.28120 
1 1 1 -23 -28 23 o 17.392  8.0347  -9.0333    79.492   12.125     212.277  -12.4841   85.730   23.459  11.443  17.733  8.2448  5.726137       14.10406 
1 1 1 -23 -28 24 f 29.297  10.449  167.505    93.745   308.041    220.521  136.506    103.569  30.526  13.828  26.511  10.613  4.014791       17.43084 
1 1 1 -23 -28 25 o 24.018  9.6152  97.653     85.017   92.387     206.737  98.724     93.269   25.048  11.986  24.106  9.9143  0.9421825      15.55519 
1 1 1 -23 -28 26 f 19.159  7.8114  45.232     57.273   76.022     106.635  32.748     67.898   22.973  10.052  18.854  8.1372  4.119028       12.93310 
1 1 1 -23 -28 27 o 36.306  7.7354  205.316    66.058   294.294    123.235  169.441    78.250   36.798  12.008  30.780  9.5138  6.018137       15.32021 
1 1 1 -23 -28 28 o 25.634  8.1148  107.168    56.572   62.195     116.095  121.173    64.785   22.525  10.134  26.721  8.7059  -4.195335      13.35972 
1 1 1 -23 -28 29 o 39.590  6.8378  232.079    63.310   270.974    125.672  218.852    73.289   34.573  12.121  36.700  8.4103  -2.126583      14.75302 
1 1 1 -23 -28 30 o 24.087  8.2022  94.807     57.389   101.568    118.373  92.730     65.617   24.293  10.612  23.646  8.6991  0.6472149      13.72159 
1 1 1 -23 -28 31 o 18.810  7.5381  45.253     52.312   56.933     111.699  41.971     59.207   22.022  9.9203  18.904  7.8485  3.117462       12.64955 
1 1 1 -23 -28 32 o 37.187  7.5091  214.201    65.422   314.652    127.449  178.262    76.232   37.305  12.214  31.663  9.3060  5.642126       15.35497 
1 1 1 -23 -28 33 o 53.065  6.2485  406.024    78.912   466.445    146.128  381.151    93.759   45.795  12.705  48.806  8.2086  -3.010746      15.12576 
1 1 1 -23 -28 34 o 37.107  7.9378  220.353    69.307   168.730    134.558  238.993    80.858   26.989  11.548  37.259  9.0368  -10.26962      14.66385 
1 1 1 -23 -28 35 o 19.623  8.5893  41.150     77.912   26.242     115.966  53.417     105.189  20.596  9.5803  21.317  9.6127  -0.7219620     13.57153 
1 1 1 -23 -28 36 o 27.793  10.326  158.945    92.881   286.855    150.264  79.856     118.157  31.882  12.776  22.656  10.205  9.226450       16.35126 
1 1 1 -23 -28 37 o 26.250  10.202  141.558    93.219   200.177    151.243  105.647    118.378  27.301  11.958  23.657  10.462  3.643841       15.88918 
1 1 1 -23 -28 38 o 14.982  6.9605  -15.7329   60.910   -75.0272   118.650  5.4847     70.976   17.430  8.5139  16.970  7.7480  0.4596672      11.51166 
1 1 1 -23 -28 39 o 23.792  8.5096  100.462    62.214   -11.6507   135.107  130.632    70.087   19.673  9.4838  26.392  9.0631  -6.718441      13.11806 
1 1 1 -23 -28 40 o 23.846  8.6109  103.043    63.864   175.686    138.791  83.531     71.931   25.846  11.385  21.881  8.8143  3.964750       14.39796 
1 1 1 -23 -28 41 o 40.393  7.4839  262.433    70.649   332.372    153.561  243.655    79.571   32.208  12.912  36.699  9.0037  -4.490734      15.74152 
1 1 1 -23 -28 42 o 20.126  9.1341  53.295     96.784   -32.1881   255.305  67.641     104.591  21.298  10.728  20.933  9.4983  0.3652439      14.32834 
1 1 1 -23 -28 43 o 36.719  11.604  326.522    115.716  484.800    277.593  293.234    127.304  27.618  13.383  32.202  12.065  -4.583199      18.01843 
1 1 1 -23 -28 44 o 19.776  9.0358  52.828     96.754   197.593    238.601  24.339     105.847  23.505  11.598  18.925  8.9146  4.580477       14.62844 
1 1 1 -23 -28 45 o 22.125  10.417  113.220    144.175  113.220    144.175  0.0000     0.0000   22.125  10.417  ?       ?       0.000000       10.41677 
1 1 1 -23 -28 46 o 27.406  11.856  262.103    144.814  262.103    144.814  0.0000     0.0000   27.406  11.856  ?       ?       0.000000       11.85599 
1 1 1 -23 -28 47 o 19.350  8.8588  53.745     93.626   198.669    128.781  -108.7331  136.358  25.326  11.065  16.642  8.3046  8.683638       13.83510 
1 1 1 -23 -28 48 o 14.576  6.8688  -15.7573   62.953   -50.8026   123.989  -3.5851    73.072   17.153  8.4443  15.890  7.4606  1.263208       11.26796 
1 1 1 -23 -28 49 o 34.022  8.7040  218.990    72.145   249.686    151.873  210.044    81.986   25.892  11.624  31.074  9.7604  -5.181910      15.17828 
1 1 1 -23 -28 50 o 10.981  5.4472  -90.7764   55.244   -128.6414  131.937  -82.7266   60.833   16.029  8.0239  11.878  5.8602  4.150544       9.936086 
1 1 1 -23 -28 51 o 19.453  8.0702  65.074     62.532   24.544     136.812  75.778     70.305   19.230  9.3365  20.253  8.4918  -1.022976      12.62062 
1 1 1 -23 -28 52 o 15.276  7.2182  -13.9389   70.398   128.585    176.560  -40.8799   76.764   21.901  10.627  14.756  7.1220  7.144687       12.79273 
1 1 1 -23 -28 53 o 9.1676  4.6425  -149.9800  52.128   -158.0928  150.086  -148.8670  55.589   16.437  8.2722  9.6334  4.8698  6.803700       9.599179 
1 1 1 -23 -28 54 o 13.454  6.3662  -23.3465   55.097   12.088     136.661  -30.2238   60.206   18.919  9.2183  13.672  6.5220  5.246861       11.29220 
1 1 1 -23 -28 55 o 20.930  8.3125  84.430     63.050   91.259     143.106  82.785     70.234   20.780  9.9512  20.627  8.5546  0.1524544      13.12280 
1 1 1 -23 -28 56 o 22.175  10.183  139.859    125.003  0.0000     0.0000   139.859    125.003  ?       ?       22.175  10.183  0.000000       10.18325 
1 1 1 -23 -28 57 o 18.932  9.0662  53.201     118.752  0.0000     0.0000   53.201     118.752  ?       ?       18.932  9.0662  0.000000       9.066174 
1 1 1 -23 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -27 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -27 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -27 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -27 6  o 24.897  6.6023  97.939     40.536   276.027    133.958  79.988     42.529   30.458  12.110  22.097  7.0403  8.361591       14.00795 
1 1 1 -23 -27 7  o 21.056  7.1619  72.003     43.754   70.386     113.325  72.286     47.432   21.285  9.7453  20.962  7.4373  0.3226051      12.25905 
1 1 1 -23 -27 8  o 13.542  6.5115  -49.9301   62.688   85.198     120.848  -99.6769   73.325   22.184  10.121  13.081  6.4498  9.103581       12.00179 
1 1 1 -23 -27 9  o 23.209  7.3348  87.799     46.235   -148.5337  144.286  114.843    48.808   17.247  8.5962  26.614  7.3265  -9.366890      11.29480 
1 1 1 -23 -27 10 o 29.805  7.1188  139.683    50.776   138.949    101.627  139.927    58.616   25.559  10.411  28.779  8.0687  -3.219637      13.17199 
1 1 1 -23 -27 11 o 18.160  7.3834  41.883     50.990   76.967     94.251   27.365     60.629   22.041  9.5498  17.605  7.6436  4.436029       12.23209 
1 1 1 -23 -27 12 o 31.648  7.9249  163.370    60.722   64.338     113.543  203.037    71.861   21.974  9.9406  34.613  8.5955  -12.63970      13.14148 
1 1 1 -23 -27 13 o 38.285  5.7450  207.939    51.722   66.237     109.313  248.814    58.709   22.112  9.8989  41.685  5.9754  -19.57303      11.56261 
1 1 1 -23 -27 14 o 20.718  7.1476  65.013     43.616   110.188    97.016   53.569     48.829   24.533  10.103  19.440  7.4286  5.092768       12.54027 
1 1 1 -23 -27 15 o 14.962  6.3734  14.367     40.651   198.848    92.376   -29.9370   45.269   31.994  10.394  12.477  5.8627  19.51640       11.93378 
1 1 1 -23 -27 16 o 48.989  6.3777  345.780    74.013   231.145    118.616  418.867    94.712   32.333  11.726  52.179  7.7131  -19.84636      14.03544 
1 1 1 -23 -27 17 o 43.859  7.3354  290.103    75.306   120.221    138.699  361.116    89.675   25.467  11.291  48.230  7.9392  -22.76223      13.80274 
1 1 1 -23 -27 18 o 26.748  8.6907  120.004    64.575   97.452     162.996  124.202    70.330   24.948  11.519  26.863  9.0803  -1.914598      14.66739 
1 1 1 -23 -27 19 o 23.181  7.3696  82.488     46.621   159.229    118.834  68.528     50.684   27.907  11.299  21.389  7.6775  6.518806       13.66017 
1 1 1 -23 -27 20 o 45.145  5.5302  280.831    59.312   293.363    130.114  277.544    66.638   36.521  12.351  44.001  6.4316  -7.479290      13.92499 
1 1 1 -23 -27 21 o 39.670  6.2354  223.858    58.039   134.111    122.923  249.605    65.840   26.560  11.187  41.379  6.7935  -14.81928      13.08813 
1 1 1 -23 -27 22 o 11.144  5.3514  -47.5979   42.016   -39.5306   93.340   -49.6479   47.053   17.503  8.2830  11.870  5.6901  5.632717       10.04919 
1 1 1 -23 -27 23 o 29.257  9.6665  151.243    79.767   56.540     133.604  203.699    99.434   23.275  10.628  32.574  10.794  -9.298721      15.14816 
1 1 1 -23 -27 24 o 12.997  6.4445  -136.0334  76.988   0.0000     0.0000   -136.0334  76.988   ?       ?       12.997  6.4445  0.000000       6.444480 
1 1 1 -23 -27 25 o 29.623  10.422  164.107    92.956   -23.1877   209.898  209.802    103.677  23.417  11.413  32.763  11.025  -9.345724      15.86861 
1 1 1 -23 -27 26 o 14.586  6.6116  -9.0667    50.513   146.883    102.609  -58.9489   58.032   27.823  10.734  13.069  6.2793  14.75428       12.43593 
1 1 1 -23 -27 27 f 28.661  7.8234  128.710    55.929   145.044    115.370  123.692    63.946   27.382  11.116  27.413  8.6214  -0.3179359E-01 14.06766 
1 1 1 -23 -27 28 o 13.687  6.2896  -17.4582   47.796   -23.4143   104.090  -15.8668   53.803   18.885  8.8789  14.585  6.6915  4.300193       11.11806 
1 1 1 -23 -27 29 o 43.539  6.2296  268.918    63.936   141.554    127.610  311.606    73.877   26.936  11.375  46.325  6.7726  -19.38946      13.23816 
1 1 1 -23 -27 30 f 55.442  5.5005  421.711    73.020   449.517    137.540  410.798    86.165   47.904  11.889  53.117  6.8448  -5.212521      13.71851 
1 1 1 -23 -27 31 o 19.262  7.9763  42.523     60.927   122.638    111.129  8.0919     72.852   25.854  10.745  17.846  8.0280  8.008125       13.41255 
1 1 1 -23 -27 32 o 34.314  8.3556  189.878    68.920   188.166    128.187  190.574    81.739   29.253  11.773  32.796  9.6355  -3.543026      15.21317 
1 1 1 -23 -27 33 o 57.460  5.7112  459.130    78.571   524.349    142.018  430.362    94.321   52.379  11.490  53.316  7.4981  -0.9377174     13.72043 
1 1 1 -23 -27 34 o 50.409  6.5525  368.766    78.251   374.538    145.346  366.411    92.858   39.808  13.044  48.092  8.2548  -8.283825      15.43619 
1 1 1 -23 -27 35 o 19.408  8.0628  45.756     62.544   18.269     123.066  55.327     72.621   20.962  9.7902  20.582  8.6300  0.3801613      13.05087 
1 1 1 -23 -27 36 o 24.357  9.8442  106.275    90.041   273.732    143.763  -1.8109    115.500  32.581  12.668  19.826  9.3310  12.75507       15.73333 
1 1 1 -23 -27 37 o 35.472  11.073  259.516    105.700  168.702    163.149  325.207    138.759  26.490  11.956  36.171  12.733  -9.680773      17.46625 
1 1 1 -23 -27 38 o 36.990  8.7211  231.871    76.998   40.766     168.865  282.034    86.516   22.502  10.785  40.545  9.0263  -18.04285      14.06371 
1 1 1 -23 -27 39 o 13.414  6.3504  -35.3639   54.964   -153.0857  120.320  -4.3193    61.787   16.003  7.9554  15.756  7.2073  0.2466822      10.73468 
1 1 1 -23 -27 40 o 44.092  6.8502  294.712    70.909   346.435    143.962  278.143    81.479   35.713  12.923  40.629  8.5365  -4.915916      15.48824 
1 1 1 -23 -27 41 o 21.477  8.4000  76.697     63.500   87.062     132.640  73.615     72.327   22.655  10.435  21.265  8.7365  1.389114       13.60949 
1 1 1 -23 -27 42 o 17.745  8.2426  4.7911     85.352   42.611     235.849  -0.9085    91.558   22.492  11.174  17.881  8.3810  4.611038       13.96788 
1 1 1 -23 -27 43 f 15.791  7.7803  -98.9418   106.009  -220.2818  216.506  -60.6780   121.580  18.808  9.5175  17.599  8.6011  1.208872       12.82819 
1 1 1 -23 -27 44 o 27.410  13.144  397.640    251.494  397.640    251.494  0.0000     0.0000   27.410  13.144  ?       ?       0.000000       13.14372 
1 1 1 -23 -27 45 o 23.895  10.907  151.130    140.506  151.130    140.506  0.0000     0.0000   23.895  10.907  ?       ?       0.000000       10.90661 
1 1 1 -23 -27 46 o 19.876  9.1195  54.309     99.964   63.253     133.669  42.958     150.580  20.762  9.8508  20.474  9.9050  0.2884007      13.96954 
1 1 1 -23 -27 47 o 16.033  7.7435  -37.5679   91.099   -83.2007   124.256  15.469     133.957  16.742  8.2811  19.317  9.3447  -2.575325      12.48600 
1 1 1 -23 -27 48 o 9.9813  4.9880  -103.6738  49.991   105.191    129.621  -140.1685  54.182   21.767  10.126  9.6636  4.8766  12.10302       11.23931 
1 1 1 -23 -27 49 o 34.596  8.5992  221.066    71.872   187.373    151.385  230.870    81.662   24.081  11.112  33.610  9.5592  -9.528770      14.65804 
1 1 1 -23 -27 50 o 31.914  8.8727  196.203    71.191   369.120    145.787  142.058    81.579   32.813  12.757  25.107  9.6001  7.705416       15.96561 
1 1 1 -23 -27 51 o 19.078  8.0165  58.568     62.878   233.375    144.404  17.670     69.847   26.089  11.546  16.778  7.6704  9.310740       13.86151 
1 1 1 -23 -27 52 o 16.922  7.7063  20.132     69.650   -23.4858   163.363  29.822     76.999   19.077  9.4467  17.788  8.1016  1.289066       12.44490 
1 1 1 -23 -27 53 o 23.604  9.4340  121.797    81.695   224.743    176.333  93.660     92.186   24.578  11.556  21.480  9.3743  3.098122       14.87996 
1 1 1 -23 -27 54 o 15.534  7.1574  3.0492     62.459   60.741     135.385  -12.5495   70.398   20.370  9.7345  15.410  7.2623  4.960084       12.14508 
1 1 1 -23 -27 55 o 19.404  8.1907  63.390     66.125   -205.6194  150.909  127.313    73.563   15.869  8.0219  24.378  9.1637  -8.509252      12.17880 
1 1 1 -23 -27 56 o 28.662  9.8939  189.895    83.578   0.0000     0.0000   189.895    83.578   ?       ?       28.662  9.8939  0.000000       9.893893 
1 1 1 -23 -27 57 o 23.859  10.834  196.137    136.363  0.0000     0.0000   196.137    136.363  ?       ?       23.859  10.834  0.000000       10.83364 
1 1 1 -23 -27 58 o 20.842  9.5907  112.766    111.658  -56.4629   279.002  145.039    121.841  ?       ?       21.852  10.042  0.000000       10.04180 
1 1 1 -23 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -26 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -26 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -26 6  o 13.594  5.6662  14.828     31.034   243.282    113.681  -3.5687    32.259   31.662  11.480  11.991  5.3722  19.67021       12.67484 
1 1 1 -23 -26 7  o 17.700  6.4566  44.493     36.038   130.827    77.956   21.029     40.641   25.984  9.4935  15.356  6.4483  10.62881       11.47639 
1 1 1 -23 -26 8  o 14.676  6.9459  -34.2409   65.664   -69.5292   125.678  -20.9905   77.012   18.071  8.8128  16.307  7.6571  1.764528       11.67459 
1 1 1 -23 -26 9  o 11.855  5.6091  -32.8535   42.755   -114.2440  128.391  -22.7019   45.343   17.360  8.5548  12.808  5.9688  4.551259       10.43130 
1 1 1 -23 -26 10 o 17.773  7.1566  38.399     47.398   -30.4736   131.430  48.695     50.818   19.625  9.4347  18.967  7.4850  0.6579533      12.04314 
1 1 1 -23 -26 11 o 20.363  7.5215  61.636     49.134   112.398    95.147   43.177     57.376   24.769  10.080  18.871  7.7704  5.898062       12.72738 
1 1 1 -23 -26 12 o 15.525  6.3382  23.091     37.770   -17.0093   86.672   32.491     41.964   17.596  8.2175  16.904  6.7594  0.6926270      10.64037 
1 1 1 -23 -26 13 o 14.725  6.2261  14.182     38.313   -23.4151   86.039   23.481     42.789   17.364  8.1345  16.116  6.6800  1.248217       10.52577 
1 1 1 -23 -26 14 o 13.931  6.1243  2.3637     39.987   14.584     87.302   -0.8808    44.983   19.221  8.7042  14.363  6.3956  4.858685       10.80120 
1 1 1 -23 -26 15 o 17.875  6.9256  39.576     42.855   -86.4772   109.942  62.160     46.535   17.317  8.3987  20.649  7.3624  -3.332315      11.16883 
1 1 1 -23 -26 16 o 35.766  6.1804  181.697    51.696   159.314    105.435  188.782    59.315   28.637  10.922  35.660  7.1048  -7.022970      13.02980 
1 1 1 -23 -26 17 o 21.353  8.2132  65.094     59.933   64.470     151.762  65.209     65.236   24.173  11.145  21.524  8.4847  2.649904       14.00694 
1 1 1 -23 -26 18 o 14.627  6.6576  -12.0010   51.890   -71.8038   143.281  -2.9736    55.668   20.003  9.6735  15.654  7.0318  4.349891       11.95924 
1 1 1 -23 -26 19 o 12.167  5.6907  -28.4173   41.820   62.732     106.141  -45.1671   45.500   22.919  10.029  11.880  5.6680  11.03843       11.51982 
1 1 1 -23 -26 20 o 37.167  6.1927  194.736    53.882   119.447    117.358  214.845    60.653   26.243  10.985  38.617  6.7170  -12.37385      12.87613 
1 1 1 -23 -26 21 o 58.133  4.9002  449.143    68.475   487.380    115.998  428.693    84.832   55.521  8.9120  55.077  6.4712  0.4446144      11.01364 
1 1 1 -23 -26 22 o 17.953  7.4292  30.953     52.802   -21.7275   100.340  51.129     62.096   18.930  8.8410  20.323  8.1885  -1.392015      12.05050 
1 1 1 -23 -26 23 o 16.829  7.2248  16.991     52.979   118.301    102.538  -19.9025   61.878   26.273  10.545  15.467  7.1256  10.80605       12.72671 
1 1 1 -23 -26 24 o 24.054  9.7263  87.661     87.943   224.399    211.691  59.140     96.681   30.140  13.610  22.507  9.7119  7.633413       16.71959 
1 1 1 -23 -26 25 o 27.580  10.268  133.961    91.936   133.926    218.214  133.969    101.372  27.566  12.927  27.389  10.641  0.1772709      16.74272 
1 1 1 -23 -26 26 o 22.791  9.3842  71.354     83.684   -35.6015   204.255  92.928     91.737   23.515  11.415  24.479  9.9213  -0.9636669     15.12393 
1 1 1 -23 -26 27 o 20.714  7.7450  59.660     52.411   -6.7198    109.526  79.375     59.689   20.127  9.3450  22.934  8.3181  -2.807425      12.51073 
1 1 1 -23 -26 28 o 59.612  5.2473  477.986    75.125   630.247    139.661  415.993    89.116   62.168  9.5652  53.618  7.0183  8.549606       11.86381 
1 1 1 -23 -26 29 o 27.442  8.4385  120.671    61.651   199.414    117.442  90.717     72.434   31.419  11.624  24.043  9.0811  7.375818       14.75058 
1 1 1 -23 -26 30 o 17.622  7.6007  20.251     59.165   4.8414     111.438  26.300     69.819   20.600  9.5155  18.916  8.2077  1.683088       12.56629 
1 1 1 -23 -26 31 o 15.664  7.0538  -4.3112    56.421   -69.5025   112.876  17.401     65.143   18.168  8.7363  17.930  7.8511  0.2379112      11.74569 
1 1 1 -23 -26 32 o 24.264  8.5886  93.812     63.217   203.309    123.227  54.702     73.646   31.078  11.819  21.031  8.7441  10.04769       14.70191 
1 1 1 -23 -26 33 o 37.835  7.8257  219.761    69.472   126.863    127.662  258.846    82.807   26.318  11.255  40.081  8.7593  -13.76307      14.26152 
1 1 1 -23 -26 34 o 17.842  7.7408  21.718     62.087   -139.9850  115.613  87.251     73.600   16.467  8.1155  23.464  9.0802  -6.996861      12.17836 
1 1 1 -23 -26 35 o 13.911  6.5952  -43.0898   59.696   5.0765     110.640  -62.8707   70.902   20.220  9.3897  14.445  6.9406  5.775315       11.67641 
1 1 1 -23 -26 36 o 26.188  10.615  129.867    105.038  179.093    183.770  105.983    128.009  27.536  12.531  24.844  10.939  2.691942       16.63408 
1 1 1 -23 -26 37 o 25.995  10.603  129.766    105.587  238.409    205.215  90.650     123.136  28.762  13.149  23.921  10.620  4.841776       16.90193 
1 1 1 -23 -26 38 o 22.027  9.7276  63.544     101.970  239.870    192.062  -5.6687    120.330  28.785  12.984  19.996  9.4451  8.789366       16.05585 
1 1 1 -23 -26 39 o 26.640  8.8891  124.616    67.391   204.098    130.193  95.526     78.764   29.181  11.822  23.548  9.3103  5.632368       15.04790 
1 1 1 -23 -26 40 o 14.985  7.0179  -25.1791   63.957   -77.8007   118.531  -3.5655    75.965   17.615  8.5834  17.111  7.8873  0.5041771      11.65696 
1 1 1 -23 -26 41 o 21.742  8.6331  76.836     67.991   127.755    125.470  55.668     80.899   24.760  10.868  20.500  8.8649  4.259995       14.02457 
1 1 1 -23 -26 42 o 32.217  12.523  286.569    140.456  286.569    140.456  0.0000     0.0000   32.217  12.523  ?       ?       0.000000       12.52250 
1 1 1 -23 -26 43 o 21.388  10.620  -26.0968   211.818  -26.0968   211.818  0.0000     0.0000   21.388  10.620  ?       ?       0.000000       10.61961 
1 1 1 -23 -26 44 o ?       ?       -376.3944  186.793  -376.3944  186.793  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 -26 45 o 11.692  5.7983  -104.2157  62.418   -292.2716  122.738  -38.6158   72.492   13.707  6.9599  14.884  7.1157  -1.176986      9.953558 
1 1 1 -23 -26 46 o 14.690  6.9259  -22.5456   64.153   -13.7519   129.426  -25.4099   73.866   18.849  9.1349  15.427  7.3205  3.421451       11.70624 
1 1 1 -23 -26 47 o 17.482  7.5957  34.458     59.959   126.427    134.341  11.581     67.003   22.981  10.555  16.519  7.5366  6.462059       12.96916 
1 1 1 -23 -26 48 o 13.479  6.6477  -93.4194   78.063   -51.8352   127.752  -118.1982  98.615   17.647  8.6643  14.563  7.2335  3.083977       11.28686 
1 1 1 -23 -26 49 o 16.180  7.3418  13.153     62.493   120.235    133.342  -16.9877   70.743   22.464  10.388  15.338  7.2442  7.125463       12.66439 
1 1 1 -23 -26 50 f 16.966  7.4978  28.301     60.684   118.340    148.818  10.343     66.461   22.238  10.504  16.282  7.4577  5.956356       12.88231 
1 1 1 -23 -26 51 o 17.896  7.7328  41.448     61.463   56.306     141.522  37.994     68.235   20.498  9.8373  17.952  7.9411  2.545950       12.64250 
1 1 1 -23 -26 52 o 16.705  7.6170  15.802     68.308   -147.6812  186.288  41.198     73.423   18.080  9.1140  18.365  8.1748  -0.2843246     12.24303 
1 1 1 -23 -26 53 o 14.475  6.9756  -44.8430   72.944   -115.6292  202.943  -34.3413   78.168   18.944  9.5447  15.275  7.3254  3.669016       12.03174 
1 1 1 -23 -26 54 o 18.371  7.8649  47.089     62.468   -241.2328  164.775  95.483     67.507   16.268  8.2398  22.251  8.6725  -5.983170      11.96267 
1 1 1 -23 -26 55 o 16.326  7.5349  7.6246     69.643   0.0000     0.0000   7.6246     69.643   ?       ?       16.326  7.5349  0.000000       7.534851 
1 1 1 -23 -26 56 o 23.417  9.1788  117.658    75.947   0.0000     0.0000   117.658    75.947   ?       ?       23.417  9.1788  0.000000       9.178821 
1 1 1 -23 -26 57 o 23.458  10.147  147.018    106.069  673.031    257.861  39.889     116.370  29.582  13.929  19.044  9.0798  10.53821       16.62676 
1 1 1 -23 -26 58 o 14.869  7.3295  -69.4916   94.456   -362.9010  326.680  -42.7241   98.671   ?       ?       15.777  7.7186  0.000000       7.718564 
1 1 1 -23 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -25 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -25 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -25 6  o 39.637  5.1353  217.412    48.228   240.141    125.427  213.469    52.244   31.233  11.913  38.710  5.7358  -7.477711      13.22177 
1 1 1 -23 -25 7  o 29.409  6.1082  126.239    42.162   181.901    88.897   110.085    47.890   30.402  10.209  26.467  7.2455  3.934305       12.51890 
1 1 1 -23 -25 8  o 17.608  7.8373  15.744     67.474   66.397     131.601  -2.3203    78.591   22.838  10.473  17.521  8.0564  5.316971       13.21332 
1 1 1 -23 -25 9  o 16.034  7.4672  -21.3467   70.791   -152.1899  133.755  29.566     83.435   17.249  8.5427  19.570  8.7125  -2.320425      12.20187 
1 1 1 -23 -25 10 o 43.188  5.6441  259.493    57.731   269.629    107.256  255.358    68.501   37.072  11.074  41.424  7.0688  -4.352524      13.13805 
1 1 1 -23 -25 11 o 29.868  6.5318  130.529    46.019   152.517    128.961  127.321    49.262   27.373  11.490  29.068  7.0556  -1.694946      13.48360 
1 1 1 -23 -25 12 o 36.354  5.5758  182.810    47.614   191.083    97.382   180.211    54.583   31.651  10.685  35.234  6.6278  -3.583578      12.57363 
1 1 1 -23 -25 13 o 25.636  6.8986  97.907     43.856   210.595    90.459   63.281     50.143   34.312  10.152  20.942  7.6196  13.37065       12.69351 
1 1 1 -23 -25 14 o 12.597  5.6886  -9.7762    36.989   -34.0356   79.622   -3.0998    41.770   16.641  7.8049  13.855  6.1667  2.785278       9.947090 
1 1 1 -23 -25 15 o 49.495  5.0989  328.423    60.359   277.567    114.192  348.141    71.104   38.069  11.439  50.130  5.9626  -12.06076      12.89989 
1 1 1 -23 -25 16 o 68.087  4.6489  609.142    76.344   599.971    145.897  612.599    89.588   59.264  10.532  67.217  5.5424  -7.953217      11.90114 
1 1 1 -23 -25 17 o 23.242  8.5368  81.340     63.155   227.841    146.960  48.156     69.943   32.172  12.718  20.593  8.5383  11.57898       15.31840 
1 1 1 -23 -25 18 o 23.666  8.4515  85.178     61.346   22.130     136.623  101.099    68.656   22.754  10.520  25.243  8.9488  -2.488773      13.81104 
1 1 1 -23 -25 19 o 40.867  6.3822  234.749    61.216   344.815    150.541  212.943    67.006   39.758  13.286  37.878  7.5555  1.880089       15.28379 
1 1 1 -23 -25 20 o 9.8353  4.8618  -84.2772   42.594   -123.3507  69.281   -60.5333   54.007   12.554  6.2049  12.572  6.0449  -0.1785278E-01 8.662629 
1 1 1 -23 -25 21 f 11.769  5.7208  -72.4239   51.777   -41.0928   70.203   -109.7932  76.670   15.517  7.2940  13.832  6.7749  1.684537       9.954948 
1 1 1 -23 -25 22 o 17.844  7.5833  23.082     57.309   146.420    95.253   -46.8971   71.749   28.859  10.502  15.453  7.2976  13.40587       12.78819 
1 1 1 -23 -25 23 o 16.458  6.9619  17.670     47.936   -0.5878    94.966   23.913     55.530   19.632  8.9629  17.749  7.4998  1.882635       11.68673 
1 1 1 -23 -25 24 o 14.822  7.2449  -112.8913  86.335   -31.0129   160.990  -145.9452  102.288  22.409  10.683  15.552  7.6584  6.857134       13.14431 
1 1 1 -23 -25 25 o 20.051  9.2844  -11.0815   107.040  0.0000     0.0000   -11.0815   107.040  ?       ?       20.051  9.2844  0.000000       9.284435 
1 1 1 -23 -25 26 o 26.886  10.466  121.606    98.213   157.452    195.215  109.459    113.642  28.753  13.018  26.157  10.868  2.595791       16.95836 
1 1 1 -23 -25 27 o 17.233  7.4506  15.250     57.121   -25.0073   103.004  33.129     68.643   19.208  8.9664  19.517  8.2969  -0.3080921     12.21615 
1 1 1 -23 -25 28 o 18.919  7.8576  34.636     59.379   74.069     106.096  16.651     71.652   23.926  10.247  18.658  8.2004  5.268101       13.12402 
1 1 1 -23 -25 29 o 50.907  5.9437  356.348    72.035   321.364    128.982  372.206    86.840   40.506  12.154  50.638  7.2768  -10.13169      14.16608 
1 1 1 -23 -25 30 o 35.591  8.1622  194.754    68.986   51.266     120.983  263.887    83.976   23.259  10.413  41.044  8.7022  -17.78539      13.57053 
1 1 1 -23 -25 31 o 27.262  8.7567  119.643    65.692   112.609    118.188  122.788    79.024   26.153  10.990  27.079  9.6007  -0.9263840     14.59295 
1 1 1 -23 -25 32 o 69.631  5.3200  651.602    89.202   681.261    146.804  634.243    112.313  64.690  9.6478  66.289  7.0928  -1.599197      11.97449 
1 1 1 -23 -25 33 o 47.401  7.2878  329.428    81.136   310.303    141.515  338.793    99.029   37.646  12.880  45.793  9.2314  -8.146049      15.84632 
1 1 1 -23 -25 34 o 13.077  6.3637  -83.5338   64.559   -208.8699  121.370  -34.0782   76.240   15.712  7.8397  16.316  7.6477  -0.6036568     10.95206 
1 1 1 -23 -25 35 o 16.075  7.4778  -25.6548   70.662   -141.7142  126.780  26.646     85.107   17.368  8.5477  19.936  8.8412  -2.568020      12.29756 
1 1 1 -23 -25 36 o 32.368  11.267  209.677    108.496  446.865    195.883  104.710    130.310  39.340  14.916  25.255  11.080  14.08489       18.58079 
1 1 1 -23 -25 37 o 25.111  10.551  108.813    108.928  241.882    190.997  44.667     132.608  29.982  13.273  22.682  10.443  7.299349       16.88861 
1 1 1 -23 -25 38 o 30.993  12.176  222.514    133.928  0.0000     0.0000   222.514    133.928  ?       ?       30.993  12.176  0.000000       12.17636 
1 1 1 -23 -25 39 o 25.445  9.5483  115.027    79.800   273.751    147.092  48.826     94.995   32.840  12.801  21.178  9.3689  11.66204       15.86325 
1 1 1 -23 -25 40 o 19.089  8.1664  38.466     67.266   23.189     122.174  45.111     80.579   21.032  9.8000  20.209  8.7931  0.8228512      13.16652 
1 1 1 -23 -25 41 o 23.343  10.514  86.442     125.413  86.442     125.413  0.0000     0.0000   23.343  10.514  ?       ?       0.000000       10.51380 
1 1 1 -23 -25 42 o 35.824  12.939  337.558    144.204  337.558    144.204  0.0000     0.0000   35.824  12.939  ?       ?       0.000000       12.93882 
1 1 1 -23 -25 43 o 22.102  10.916  -6.5022    213.018  -6.5022    213.018  0.0000     0.0000   22.102  10.916  ?       ?       0.000000       10.91564 
1 1 1 -23 -25 44 o 19.262  9.2331  -12.8745   123.852  -331.3310  220.027  134.829    149.846  18.242  9.2680  24.436  11.195  -6.194008      14.53331 
1 1 1 -23 -25 45 o 40.784  8.1780  277.727    78.112   461.900    160.933  220.967    89.342   39.617  13.726  32.944  10.163  6.673229       17.07900 
1 1 1 -23 -25 46 o 32.174  8.7962  187.881    70.637   541.428    157.838  99.337     78.989   45.151  13.422  22.846  9.2248  22.30496       16.28648 
1 1 1 -23 -25 47 o 16.157  7.7173  -29.4211   84.862   -138.8629  146.400  25.960     104.143  17.140  8.5612  19.193  8.9779  -2.052971      12.40549 
1 1 1 -23 -25 48 f 20.604  9.1267  69.289     90.428   50.983     153.725  78.976     111.821  20.960  10.107  21.297  9.7243  -0.3375225     14.02549 
1 1 1 -23 -25 49 o 17.249  7.6380  28.323     63.287   227.582    157.652  -9.9561    69.099   26.017  11.747  15.607  7.3045  10.40987       13.83264 
1 1 1 -23 -25 50 o 17.848  7.8307  36.705     65.091   68.246     149.201  29.291     72.339   21.126  10.129  17.755  7.9922  3.370401       12.90206 
1 1 1 -23 -25 51 o 14.753  6.7697  -2.0962    55.103   -123.6500  141.067  19.790     59.858   16.904  8.4370  16.458  7.3494  0.4460068      11.18906 
1 1 1 -23 -25 52 o 24.195  9.4346  123.895    79.923   -89.0788   199.648  164.539    87.217   19.299  9.6902  26.983  10.010  -7.684484      13.93212 
1 1 1 -23 -25 53 o 13.859  6.7546  -66.9706   73.516   -143.1190  209.768  -56.3082   78.494   18.969  9.5754  14.638  7.0987  4.331659       11.91974 
1 1 1 -23 -25 54 o 21.535  8.7755  86.226     72.236   0.0000     0.0000   86.226     72.236   ?       ?       21.535  8.7755  0.000000       8.775520 
1 1 1 -23 -25 55 o 19.066  8.3275  51.755     72.878   0.0000     0.0000   51.755     72.878   ?       ?       19.066  8.3275  0.000000       8.327536 
1 1 1 -23 -25 56 o 16.466  7.4074  19.257     62.027   59.456     161.772  12.329     67.159   20.766  10.098  16.414  7.5105  4.351433       12.58498 
1 1 1 -23 -25 57 o 16.669  8.1153  -36.4685   105.281  -333.9781  354.868  -7.7557    110.244  ?       ?       17.671  8.5306  0.000000       8.530602 
1 1 1 -23 -25 58 o 16.799  8.1824  -25.6010   107.410  -68.7105   359.156  -21.3666   112.562  ?       ?       17.119  8.3468  0.000000       8.346776 
1 1 1 -23 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -24 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -24 5  o 6.3498  3.1425  -38.7720   17.983   0.0000     0.0000   -38.7720   17.983   ?       ?       6.3498  3.1425  0.000000       3.142493 
1 1 1 -23 -24 6  o 11.580  5.0534  0.7380     26.784   47.448     74.236   -6.2525    28.719   20.105  8.5895  11.280  5.0600  8.824636       9.969112 
1 1 1 -23 -24 7  o 8.6785  4.2140  -41.6735   27.893   72.212     68.893   -64.0030   30.505   21.909  8.6930  8.2210  4.0729  13.68808       9.599818 
1 1 1 -23 -24 8  o 42.307  8.0588  278.905    79.706   573.835    159.038  179.977    92.109   53.177  12.531  30.841  10.392  22.33595       16.27933 
1 1 1 -23 -24 9  o 37.241  9.8389  241.625    90.237   92.247     163.165  307.445    108.309  25.173  11.587  40.913  10.765  -15.73972      15.81606 
1 1 1 -23 -24 10 o ?       ?       -112.3870  24.556   -319.8702  75.556   -87.8823   25.966   ?       ?       6.4768  3.2795  0.000000       3.279524 
1 1 1 -23 -24 11 o 22.549  6.8443  74.771     40.728   156.542    93.292   55.516     45.270   29.316  10.427  19.988  7.2449  9.328699       12.69717 
1 1 1 -23 -24 12 o 23.776  6.7846  82.936     41.067   80.372     87.701   83.656     46.477   23.575  9.6452  23.642  7.3362  -0.6746674E-01 12.11820 
1 1 1 -23 -24 13 o 13.424  5.8811  0.5477     36.596   56.026     78.135   -15.0424   41.420   21.615  8.9984  13.001  5.9292  8.613975       10.77625 
1 1 1 -23 -24 14 o 55.984  4.5942  410.485    61.857   337.137    115.411  440.048    73.270   43.695  10.917  57.258  5.3353  -13.56293      12.15085 
1 1 1 -23 -24 15 o 62.318  4.9964  514.082    74.915   544.512    199.180  509.068    80.851   47.269  15.255  61.506  5.4748  -14.23706      16.20720 
1 1 1 -23 -24 16 f 52.811  5.3811  374.246    67.990   696.674    185.539  324.234    73.073   60.118  13.090  48.201  6.4066  11.91707       14.57413 
1 1 1 -23 -24 17 o 22.281  8.2453  70.489     59.101   29.275     132.818  80.665     65.995   23.134  10.577  23.431  8.7046  -0.2963409     13.69795 
1 1 1 -23 -24 18 o 22.807  8.6804  73.606     66.504   274.123    131.845  5.1783     77.020   37.031  12.433  18.573  8.3123  18.45810       14.95576 
1 1 1 -23 -24 19 f 25.954  8.1418  102.740    57.070   150.575    119.087  88.478     65.023   28.974  11.450  24.249  8.6968  4.724327       14.37856 
1 1 1 -23 -24 20 o 40.348  6.2294  225.601    59.022   193.392    97.923   243.979    73.968   33.124  10.697  40.641  7.7845  -7.516895      13.22931 
1 1 1 -23 -24 21 o 21.277  7.6111  62.901     49.771   63.226     85.579   62.734     61.182   22.769  9.4429  21.662  8.3063  1.106430       12.57630 
1 1 1 -23 -24 22 o 29.711  7.5450  131.062    54.495   41.057     99.723   169.383    65.070   22.167  9.7100  33.440  8.1043  -11.27239      12.64768 
1 1 1 -23 -24 23 o 9.1704  4.5809  -102.6558  41.970   -190.3658  84.646   -74.0628   48.329   12.871  6.4408  11.211  5.4670  1.659616       8.448205 
1 1 1 -23 -24 24 o 20.468  9.3706  -1.8915    104.755  -197.2953  175.248  106.744    130.669  19.929  9.8533  26.634  11.388  -6.704893      15.05894 
1 1 1 -23 -24 25 o 21.593  9.7245  20.335     107.254  -11.9148   179.075  38.374     133.933  23.972  11.382  23.698  10.751  0.2740555      15.65682 
1 1 1 -23 -24 26 o 33.151  11.594  205.878    114.949  112.056    199.792  252.302    140.540  27.909  12.838  35.031  12.755  -7.121609      18.09661 
1 1 1 -23 -24 27 o 31.316  8.6870  153.821    68.323   199.991    110.288  125.066    87.036   32.917  11.365  27.544  10.036  5.373402       15.16218 
1 1 1 -23 -24 28 o 48.376  6.7376  329.435    76.938   414.002    125.520  278.541    97.375   49.383  10.778  41.216  9.8677  8.166973       14.61297 
1 1 1 -23 -24 29 f 12.533  6.1123  -87.5042   60.487   -88.4388   96.533   -86.9000   77.612   16.619  8.0129  14.710  7.1150  1.909750       10.71582 
1 1 1 -23 -24 30 o 41.213  7.7250  250.972    74.412   277.342    124.214  236.211    92.934   37.923  12.026  37.520  10.019  0.4025192      15.65318 
1 1 1 -23 -24 31 f 60.220  6.1635  499.570    88.792   655.443    155.288  423.855    108.229  62.505  10.619  52.389  8.8280  10.11679       13.80927 
1 1 1 -23 -24 32 o 62.894  6.0382  542.964    91.014   627.933    155.989  499.108    112.067  60.339  11.062  57.561  8.2607  2.778465       13.80607 
1 1 1 -23 -24 33 o 62.569  6.3096  544.085    94.483   525.927    161.736  553.492    116.413  51.737  12.922  60.765  8.0972  -9.027977      15.24939 
1 1 1 -23 -24 34 o 22.683  9.1864  70.260     78.585   -23.9356   138.687  114.807    95.374   21.375  10.110  26.243  10.286  -4.868349      14.42261 
1 1 1 -23 -24 35 o 14.795  7.0731  -61.0970   71.633   57.235     135.166  -107.3120  84.471   23.879  10.820  14.698  7.1802  9.181553       12.98593 
1 1 1 -23 -24 36 o 16.038  7.7784  -92.8137   94.296   -39.9133   187.952  -110.6082  109.008  22.835  11.052  16.833  8.2088  6.001560       13.76686 
1 1 1 -23 -24 37 o 27.898  10.914  146.376    107.210  232.176    193.660  108.461    128.737  30.266  13.384  25.626  11.132  4.639841       17.40816 
1 1 1 -23 -24 38 o 36.448  12.280  285.794    128.624  0.0000     0.0000   285.794    128.624  ?       ?       36.448  12.280  0.000000       12.27999 
1 1 1 -23 -24 39 o 27.248  9.3508  129.184    74.600   145.135    137.608  122.546    88.778   26.905  11.598  26.155  10.011  0.7502747      15.32137 
1 1 1 -23 -24 40 o 18.336  8.9223  -85.7640   126.834  -85.7640   126.834  0.0000     0.0000   18.336  8.9223  ?       ?       0.000000       8.922349 
1 1 1 -23 -24 41 o 31.236  12.623  249.753    148.023  249.753    148.023  0.0000     0.0000   31.236  12.623  ?       ?       0.000000       12.62260 
1 1 1 -23 -24 42 o 19.945  9.5883  -28.8459   135.740  -28.8459   135.740  0.0000     0.0000   19.945  9.5883  ?       ?       0.000000       9.588331 
1 1 1 -23 -24 43 o 18.512  8.9296  -47.3228   120.243  -282.1564  214.735  59.944     145.130  18.950  9.5787  22.591  10.577  -3.640972      14.26976 
1 1 1 -23 -24 44 o 18.576  8.6451  3.8141     94.608   -55.6066   218.655  17.501     104.939  21.569  10.723  19.643  9.1294  1.926056       14.08304 
1 1 1 -23 -24 45 o 20.977  8.2750  70.382     62.091   196.726    144.804  41.919     68.730   27.084  11.786  18.968  8.1867  8.116558       14.35033 
1 1 1 -23 -24 46 o 23.819  8.5103  101.409    62.208   36.896     151.359  114.522    68.238   21.291  10.206  24.816  8.9082  -3.524441      13.54705 
1 1 1 -23 -24 47 o 34.384  8.4692  206.314    70.193   360.065    161.395  170.448    77.952   32.866  13.216  29.290  9.5501  3.576393       16.30535 
1 1 1 -23 -24 48 o 13.839  6.5880  -35.3011   60.767   346.757    153.441  -106.3683  66.178   32.599  12.961  12.055  5.9773  20.54317       14.27294 
1 1 1 -23 -24 49 o 18.383  7.8580  44.132     62.189   75.632     156.012  38.181     67.809   21.705  10.393  18.224  7.9942  3.480787       13.11206 
1 1 1 -23 -24 50 o 19.506  8.2362  58.206     66.891   105.532    152.864  46.998     74.392   22.385  10.596  18.980  8.3484  3.404999       13.48930 
1 1 1 -23 -24 51 o 13.190  6.3432  -46.0454   59.546   99.401     150.059  -73.2279   64.872   22.167  10.494  12.815  6.2671  9.351952       12.22281 
1 1 1 -23 -24 52 o 21.545  9.3194  86.403     89.462   143.220    219.676  75.107     97.952   23.058  11.329  20.988  9.3849  2.069418       14.71120 
1 1 1 -23 -24 53 o 21.847  9.4202  90.796     90.827   0.0000     0.0000   90.796     90.827   ?       ?       21.847  9.4202  0.000000       9.420232 
1 1 1 -23 -24 54 o 14.392  6.8153  -27.4893   63.385   0.0000     0.0000   -27.4893   63.385   ?       ?       14.392  6.8153  0.000000       6.815325 
1 1 1 -23 -24 55 o 14.158  6.7380  -32.4317   63.462   242.798    159.962  -83.8443   69.136   26.668  11.954  12.943  6.3585  13.72469       13.53978 
1 1 1 -23 -24 56 o 17.216  7.6619  27.431     64.466   72.268     148.160  16.960     71.598   21.191  10.142  17.045  7.7820  4.146633       12.78382 
1 1 1 -23 -24 57 o 20.043  9.3733  58.327     113.418  24.997     357.662  62.053     119.590  ?       ?       20.263  9.5236  0.000000       9.523559 
1 1 1 -23 -24 58 o 20.863  9.6267  90.997     113.600  39.030     333.971  97.796     120.803  ?       ?       21.097  9.8018  0.000000       9.801784 
1 1 1 -23 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -23 5  o 12.662  5.4068  6.3012     29.387   0.0000     0.0000   6.3012     29.387   ?       ?       12.662  5.4068  0.000000       5.406775 
1 1 1 -23 -23 6  o 17.863  6.1364  43.787     32.131   -8.8805    80.151   53.872     35.072   17.638  8.1197  19.429  6.4093  -1.790819      10.34448 
1 1 1 -23 -23 7  o 17.700  6.3045  41.769     34.115   -1.7355    62.724   60.044     40.654   16.476  7.4269  20.399  6.9037  -3.922834      10.14003 
1 1 1 -23 -23 8  o 9.5824  4.7948  -114.5356  46.872   -206.1541  111.903  -95.0411   51.618   14.995  7.4890  10.896  5.3799  4.098848       9.221044 
1 1 1 -23 -23 9  o 83.133  6.0587  954.034    121.371  1738.26    231.628  657.217    142.500  104.434 9.2360  63.758  9.5014  40.67610       13.25073 
1 1 1 -23 -23 10 o 14.335  5.9932  12.802     34.869   -54.3556   83.567   26.959     38.368   16.370  7.7733  16.292  6.4800  0.7843399E-01  10.12006 
1 1 1 -23 -23 11 o 11.432  5.2677  -18.8044   33.839   41.159     72.139   -35.7208   38.316   20.333  8.5674  11.205  5.3039  9.128081       10.07629 
1 1 1 -23 -23 12 o 16.127  6.3927  26.058     37.223   5.1734     82.804   31.347     41.671   19.018  8.5566  17.160  6.7759  1.858341       10.91461 
1 1 1 -23 -23 13 o 70.947  5.1894  667.715    88.714   0.0000     0.0000   667.715    88.714   ?       ?       70.947  5.1894  0.000000       5.189431 
1 1 1 -23 -23 14 o 79.035  4.2974  805.357    82.103   1040.19    150.750  706.324    97.896   85.215  7.3632  72.525  5.6066  12.68944       9.254782 
1 1 1 -23 -23 15 o 56.147  5.1328  417.296    69.152   317.012    183.489  433.898    74.657   36.505  14.279  56.943  5.4707  -20.43801      15.29075 
1 1 1 -23 -23 16 o 46.021  5.3311  282.700    58.428   55.704     115.374  360.995    67.759   23.747  10.422  51.947  5.4573  -28.20036      11.76436 
1 1 1 -23 -23 17 o 24.934  9.1464  93.583     72.462   71.466     133.667  102.788    86.233   25.212  11.136  25.850  9.8734  -0.6375771     14.88242 
1 1 1 -23 -23 18 o 23.662  8.7998  80.543     67.482   96.613     113.436  71.741     83.953   25.942  10.825  23.444  9.4949  2.498150       14.39883 
1 1 1 -23 -23 19 o 64.423  6.7727  578.310    104.284  481.322    165.831  641.756    134.124  49.455  13.460  65.351  8.6726  -15.89615      16.01167 
1 1 1 -23 -23 20 o 20.140  7.2586  53.830     45.348   60.210     80.189   50.831     54.985   22.483  9.2135  20.321  7.8528  2.161427       12.10595 
1 1 1 -23 -23 21 o 22.686  7.5422  73.741     48.533   143.319    85.370   40.517     58.993   29.502  10.004  19.644  7.9580  9.858883       12.78323 
1 1 1 -23 -23 22 o 19.708  7.5697  47.182     50.864   9.8864     95.836   61.807     60.014   20.528  9.2237  21.668  8.2462  -1.140165      12.37238 
1 1 1 -23 -23 23 o 37.906  8.1737  214.538    72.966   206.944    136.112  217.600    86.435   32.744  12.429  36.828  9.5813  -4.083981      15.69326 
1 1 1 -23 -23 24 o 27.938  10.972  127.804    108.708  236.800    182.488  67.851     135.343  33.119  13.767  25.251  11.176  7.868250       17.73231 
1 1 1 -23 -23 25 o 21.332  9.6206  12.917     105.412  155.411    175.688  -67.2349   131.765  29.646  12.939  20.258  9.6595  9.387556       16.14727 
1 1 1 -23 -23 26 o 32.533  11.447  191.471    112.140  147.786    188.239  215.504    139.620  29.400  13.088  33.128  12.585  -3.727684      18.15687 
1 1 1 -23 -23 27 o 59.142  5.7835  471.054    81.932   435.171    133.142  492.924    103.943  50.576  11.150  58.665  7.4718  -8.088554      13.42166 
1 1 1 -23 -23 28 o 21.489  8.6318  55.320     68.771   40.999     118.303  62.628     84.518   23.281  10.369  22.829  9.4190  0.4527035      14.00832 
1 1 1 -23 -23 29 o 36.033  8.8932  202.284    77.282   184.753    134.736  210.879    94.344   31.192  12.226  35.291  10.347  -4.099112      16.01663 
1 1 1 -23 -23 30 o 40.308  8.6317  248.349    81.875   153.297    142.017  295.669    100.203  29.250  12.150  42.716  9.8667  -13.46617      15.65198 
1 1 1 -23 -23 31 o 71.945  7.4567  743.178    128.280  1232.25    285.831  619.825    143.548  74.173  16.324  62.409  9.8027  11.76371       19.04156 
1 1 1 -23 -23 32 o 78.701  5.4914  827.730    104.207  733.395    172.742  881.701    130.659  65.401  11.294  79.242  6.8633  -13.84034      13.21567 
1 1 1 -23 -23 33 o 80.899  5.5471  877.424    108.229  829.184    181.160  904.198    134.962  69.815  11.063  79.889  7.0342  -10.07320      13.10989 
1 1 1 -23 -23 34 o 17.703  7.9391  0.6747     70.647   3.0486     130.965  -0.2996    83.900   22.081  10.241  18.844  8.5330  3.237720       13.32974 
1 1 1 -23 -23 35 o 17.159  7.7453  -4.4097    68.485   65.353     130.819  -30.7478   80.380   24.375  10.876  17.061  7.9495  7.313852       13.47185 
1 1 1 -23 -23 36 o 20.004  8.8195  24.707     83.482   88.224     155.682  -0.9290    98.905   25.775  11.652  19.828  9.0879  5.946341       14.77685 
1 1 1 -23 -23 37 o 22.771  9.4156  69.603     84.720   76.736     145.156  65.918     104.334  24.927  11.261  23.239  10.058  1.687441       15.09926 
1 1 1 -23 -23 38 o 21.922  9.3011  57.860     85.975   245.090    147.974  -37.5536   105.634  32.739  12.818  18.716  8.8434  14.02274       15.57245 
1 1 1 -23 -23 39 f 21.489  9.8970  20.122     119.257  20.122     119.257  0.0000     0.0000   21.489  9.8970  ?       ?       0.000000       9.896963 
1 1 1 -23 -23 40 o 23.073  10.604  50.628     135.949  50.628     135.949  0.0000     0.0000   23.073  10.604  ?       ?       0.000000       10.60445 
1 1 1 -23 -23 41 o 19.749  9.4905  -45.4795   132.667  -45.4795   132.667  0.0000     0.0000   19.749  9.4905  ?       ?       0.000000       9.490469 
1 1 1 -23 -23 42 o 19.276  8.2750  37.938     69.492   -95.6471   136.721  84.470     80.692   18.599  9.0964  22.978  9.3077  -4.378706      13.01453 
1 1 1 -23 -23 43 o 17.903  8.4081  -18.3037   92.934   177.227    214.561  -63.4577   103.108  26.542  12.560  17.131  8.2650  9.410864       15.03559 
1 1 1 -23 -23 44 o 31.895  11.250  222.724    108.374  580.418    237.569  128.728    121.783  37.354  15.632  25.164  10.879  12.18954       19.04551 
1 1 1 -23 -23 45 o 17.249  7.5729  21.422     60.963   113.177    146.570  2.2278     67.037   24.129  11.061  16.592  7.5578  7.537003       13.39616 
1 1 1 -23 -23 46 o 14.747  6.7890  -10.4658   56.039   -21.0585   148.217  -8.6991    60.532   20.056  9.7329  15.310  7.0512  4.745968       12.01870 
1 1 1 -23 -23 47 o 30.590  8.6577  166.636    67.156   154.709    158.317  169.253    74.159   24.784  11.410  29.923  9.2639  -5.139317      14.69732 
1 1 1 -23 -23 48 o 21.313  8.1802  76.962     59.374   217.693    158.163  53.877     64.059   26.680  11.928  19.380  8.1146  7.299814       14.42647 
1 1 1 -23 -23 49 o 17.255  7.3122  34.072     53.036   -8.6862    157.157  39.568     56.342   20.016  9.7816  17.877  7.5542  2.138763       12.35904 
1 1 1 -23 -23 50 o 20.182  8.3124  65.819     65.682   4.8782     156.962  78.755     72.318   20.194  9.8483  21.216  8.7284  -1.022011      13.15950 
1 1 1 -23 -23 51 o 22.706  8.7020  96.119     67.127   -103.7828  201.183  121.162    71.207   19.477  9.7727  24.820  9.0725  -5.343033      13.33476 
1 1 1 -23 -23 52 o 20.652  9.1078  68.056     89.097   0.0000     0.0000   68.056     89.097   ?       ?       20.652  9.1078  0.000000       9.107815 
1 1 1 -23 -23 53 o 16.331  7.7080  -15.7002   79.855   0.0000     0.0000   -15.7002   79.855   ?       ?       16.331  7.7080  0.000000       7.708020 
1 1 1 -23 -23 54 f 16.796  7.6061  14.018     66.668   272.338    170.053  -32.8958   72.469   27.787  12.400  15.081  7.1835  12.70622       14.33019 
1 1 1 -23 -23 55 o 12.426  6.0509  -64.8961   58.619   -175.6999  135.837  -39.5394   64.981   16.044  8.0473  14.084  6.7344  1.959770       10.49335 
1 1 1 -23 -23 56 o 25.840  9.1762  134.218    72.219   137.661    165.967  133.413    80.211   23.194  10.997  25.142  9.5417  -1.947908      14.55910 
1 1 1 -23 -23 57 o 18.414  8.8033  5.5782     110.949  106.434    352.176  -5.5346    116.902  ?       ?       18.317  8.8279  0.000000       8.827937 
1 1 1 -23 -23 58 o 16.581  8.0869  -42.3387   105.881  -57.9262   321.053  -40.4364   112.156  ?       ?       16.933  8.2726  0.000000       8.272649 
1 1 1 -23 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -22 5  o 20.583  7.0303  61.175     42.163   0.0000     0.0000   61.175     42.163   ?       ?       20.583  7.0303  0.000000       7.030292 
1 1 1 -23 -22 6  o 20.236  6.5666  58.340     36.872   70.804     72.246   53.950     42.876   22.380  8.8951  19.742  7.0640  2.638344       11.35880 
1 1 1 -23 -22 7  o 42.523  4.8671  240.224    49.313   326.875    97.488   210.429    57.166   45.172  9.2068  38.684  6.3078  6.487930       11.16038 
1 1 1 -23 -22 8  o 40.120  7.5323  237.365    70.632   166.897    156.494  255.393    79.153   29.153  12.464  40.929  8.2550  -11.77677      14.94948 
1 1 1 -23 -22 9  o 34.998  8.1320  186.469    67.740   89.077     157.571  208.549    75.027   26.154  11.782  36.640  8.5887  -10.48648      14.58012 
1 1 1 -23 -22 10 o 24.787  6.5059  87.871     39.624   133.492    80.067   73.075     45.599   28.454  9.6882  22.472  7.3030  5.982523       12.13242 
1 1 1 -23 -22 11 o 24.579  6.7464  86.931     41.455   109.440    86.606   80.240     47.216   26.298  9.9305  23.443  7.4126  2.855160       12.39205 
1 1 1 -23 -22 12 o 59.406  4.3936  456.143    62.882   553.735    115.786  415.319    74.888   61.516  7.9426  55.603  5.6282  5.913387       9.734602 
1 1 1 -23 -22 13 o 51.985  5.1365  357.147    63.943   605.181    162.590  311.764    69.548   58.944  11.780  47.725  6.1488  11.21905       13.28828 
1 1 1 -23 -22 14 o 46.518  5.0362  285.271    55.936   433.558    115.349  239.679    63.960   52.926  9.3226  41.487  6.5728  11.43943       11.40674 
1 1 1 -23 -22 15 o 9.2114  4.5227  -64.0695   34.818   16.750     84.030   -80.8218   38.257   20.022  8.8368  9.2329  4.5718  10.78911       9.949416 
1 1 1 -23 -22 16 o 26.023  7.4393  98.996     49.328   135.802    95.351   85.545     57.641   28.722  10.499  24.172  8.2203  4.549692       13.33390 
1 1 1 -23 -22 17 o 34.180  9.0238  181.945    75.941   99.059     124.864  230.602    95.668   26.595  11.242  37.384  10.243  -10.78892      15.20910 
1 1 1 -23 -22 18 o 49.561  7.1050  345.776    82.998   341.668    140.105  347.998    103.020  42.605  12.641  47.549  9.2624  -4.943520      15.67133 
1 1 1 -23 -22 19 o 38.574  9.6042  235.917    89.545   0.0000     0.0000   235.917    89.545   ?       ?       38.574  9.6042  0.000000       9.604156 
1 1 1 -23 -22 20 o 16.383  6.7228  20.998     42.768   15.075     77.875   23.556     51.176   19.500  8.5601  17.553  7.2929  1.946419       11.24549 
1 1 1 -23 -22 21 o 23.967  7.7459  83.160     51.343   64.689     84.081   94.142     64.833   23.163  9.4566  25.186  8.7129  -2.023117      12.85857 
1 1 1 -23 -22 22 o 28.637  8.5273  124.765    63.668   118.712    105.106  128.273    80.020   27.545  10.798  28.447  9.6853  -0.9021587     14.50501 
1 1 1 -23 -22 23 o 22.313  8.4163  66.326     62.164   -2.1538    100.128  109.277    79.297   20.436  9.2808  26.670  9.5999  -6.233664      13.35259 
1 1 1 -23 -22 24 f 31.587  11.522  175.870    114.753  157.852    199.074  184.837    140.432  30.297  13.475  31.634  12.456  -1.337313      18.34975 
1 1 1 -23 -22 25 o 33.346  11.704  200.372    117.199  120.019    196.498  244.742    146.014  28.970  13.094  35.192  12.972  -6.222748      18.43173 
1 1 1 -23 -22 26 o 48.539  10.616  385.805    121.544  447.731    205.021  352.247    150.925  43.439  15.457  42.363  13.232  1.076157       20.34748 
1 1 1 -23 -22 27 o 54.264  6.4002  403.447    82.647   426.231    143.384  392.111    101.140  48.940  12.135  51.520  8.3785  -2.579666      14.74605 
1 1 1 -23 -22 28 o 39.098  8.4282  229.238    77.602   293.239    133.948  196.903    95.208   39.364  12.489  34.206  10.481  5.158566       16.30456 
1 1 1 -23 -22 29 o 28.895  9.3886  132.353    75.363   169.124    130.589  113.992    92.281   30.646  12.029  26.997  10.237  3.648262       15.79530 
1 1 1 -23 -22 30 o 14.966  7.0662  -50.1768   67.216   -84.8365   118.406  -33.6971   81.646   18.823  9.0243  17.318  8.0501  1.505049       12.09303 
1 1 1 -23 -22 31 o 57.222  6.3758  449.586    87.019   397.792    145.990  478.127    108.375  45.990  12.675  57.190  8.0312  -11.20051      15.00559 
1 1 1 -23 -22 32 o 48.716  7.0916  336.025    81.366   250.065    141.250  378.713    99.539   35.291  12.796  50.335  8.4495  -15.04369      15.33440 
1 1 1 -23 -22 33 o 84.634  5.1803  944.661    105.870  1159.64    170.583  809.976    135.021  89.140  7.9709  75.163  7.5037  13.97684       10.94714 
1 1 1 -23 -22 34 o 18.945  8.1357  23.936     67.212   76.000     114.467  -3.4581    83.032   24.704  10.613  18.734  8.4856  5.969543       13.58836 
1 1 1 -23 -22 35 o 23.471  8.8161  79.892     68.062   133.088    114.515  50.836     84.633   27.920  11.166  21.885  9.2538  6.034403       14.50181 
1 1 1 -23 -22 36 o 24.781  9.5266  93.518     80.606   130.365    114.254  57.003     113.737  27.604  11.113  23.501  10.330  4.102098       15.17243 
1 1 1 -23 -22 37 o 49.412  9.2741  387.533    107.107  326.190    176.187  423.492    134.896  36.587  14.080  48.269  11.651  -11.68211      18.27487 
1 1 1 -23 -22 38 o 45.598  14.781  500.131    186.853  500.131    186.853  0.0000     0.0000   45.598  14.781  ?       ?       0.000000       14.78116 
1 1 1 -23 -22 39 o 26.976  11.362  130.140    126.782  130.140    126.782  0.0000     0.0000   26.976  11.362  ?       ?       0.000000       11.36176 
1 1 1 -23 -22 40 o 21.027  9.9417  -16.2780   133.902  -16.2780   133.902  0.0000     0.0000   21.027  9.9417  ?       ?       0.000000       9.941674 
1 1 1 -23 -22 41 o 16.726  7.6358  -7.5565    68.907   -59.4520   135.307  10.616     80.068   19.725  9.5044  18.635  8.3964  1.090145       12.68203 
1 1 1 -23 -22 42 o 38.560  7.7723  229.519    70.207   394.645    154.769  186.736    78.779   40.498  13.469  32.766  9.4118  7.732204       16.43149 
1 1 1 -23 -22 43 f 50.487  9.9817  445.661    117.944  451.186    268.117  444.336    131.334  32.601  14.950  47.826  11.466  -15.22496      18.84054 
1 1 1 -23 -22 44 o 48.124  9.0641  388.188    101.958  66.049     281.135  436.974    109.406  24.796  12.299  50.912  9.1947  -26.11642      15.35565 
1 1 1 -23 -22 45 o 19.943  7.8500  57.328     55.764   102.583    158.524  50.938     59.572   24.158  11.225  19.507  7.9615  4.650633       13.76187 
1 1 1 -23 -22 46 o 28.792  8.4539  142.833    62.939   297.835    167.205  117.245    67.935   31.016  13.055  25.526  8.9139  5.490364       15.80774 
1 1 1 -23 -22 47 o 18.371  7.5552  43.420     54.160   105.506    153.666  34.614     57.874   23.552  10.980  17.860  7.6060  5.692163       13.35678 
1 1 1 -23 -22 48 o 14.967  6.7404  2.5143     51.526   45.409     150.334  -3.1954    54.849   21.506  10.272  14.959  6.8226  6.546804       12.33133 
1 1 1 -23 -22 49 o 16.753  6.5628  36.895     38.810   28.265     53.185   46.725     56.760   16.887  7.2439  18.574  7.6957  -1.687471      10.56874 
1 1 1 -23 -22 50 o 15.692  6.6849  22.290     44.731   12.733     54.807   41.355     77.409   15.850  7.0584  19.001  8.4291  -3.151919      10.99417 
1 1 1 -23 -22 51 o 17.673  8.0540  18.237     76.244   0.0000     0.0000   18.237     76.244   ?       ?       17.673  8.0540  0.000000       8.054010 
1 1 1 -23 -22 52 o 17.755  8.4333  -10.3795   98.502   0.0000     0.0000   -10.3795   98.502   ?       ?       17.755  8.4333  0.000000       8.433270 
1 1 1 -23 -22 53 o 25.244  10.504  147.990    106.394  0.0000     0.0000   147.990    106.394  ?       ?       25.244  10.504  0.000000       10.50405 
1 1 1 -23 -22 54 o 16.464  6.8122  30.981     44.388   54.979     54.921   -14.2235   75.376   19.191  7.7120  16.153  7.5817  3.038179       10.81471 
1 1 1 -23 -22 55 o 23.131  8.7803  99.391     67.930   95.462     147.928  100.441    76.470   22.504  10.581  22.958  9.1430  -0.4548321     13.98436 
1 1 1 -23 -22 56 o 29.084  9.1767  164.240    72.393   225.298    152.832  146.578    82.200   26.694  11.843  26.320  9.7272  0.3733425      15.32528 
1 1 1 -23 -22 57 o 24.715  10.753  159.791    120.493  297.496    362.573  142.695    127.754  23.771  12.059  23.729  10.657  0.4112816E-01  16.09283 
1 1 1 -23 -22 58 o 16.496  8.0462  -48.0605   104.908  19.126     320.296  -56.1344   111.033  ?       ?       16.617  8.1420  0.000000       8.141986 
1 1 1 -23 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -21 6  f 10.740  4.8933  -12.9417   28.128   -10.9674   46.347   -14.0930   35.392   14.077  6.3613  12.075  5.4968  2.002257       8.407179 
1 1 1 -23 -21 7  o 52.931  4.2835  362.382    54.542   485.048    110.584  322.949    62.699   56.958  8.2411  49.119  5.3471  7.838825       9.823789 
1 1 1 -23 -21 8  o 43.276  7.1319  267.784    72.279   455.111    155.060  215.781    81.698   48.560  12.930  36.889  9.1676  11.67145       15.85021 
1 1 1 -23 -21 9  o 25.798  8.4165  101.137    60.542   304.294    145.165  58.362     66.611   38.675  13.046  21.609  8.5560  17.06673       15.60116 
1 1 1 -23 -21 10 o 25.039  6.4990  88.902     39.829   274.374    82.238   32.066     45.524   42.989  8.1829  17.725  7.0559  25.26413       10.80490 
1 1 1 -23 -21 11 o 25.731  6.6710  94.235     41.996   84.111     90.637   97.003     47.390   24.686  9.9118  25.831  7.2596  -1.144981      12.28600 
1 1 1 -23 -21 12 o 20.572  6.8945  58.014     40.542   -54.0276   97.818   81.253     44.549   18.106  8.5414  23.788  7.1442  -5.681955      11.13532 
1 1 1 -23 -21 13 o 14.434  6.2274  4.5312     39.737   141.806    116.706  -13.4710   42.263   29.124  11.389  13.414  6.0669  15.70986       12.90373 
1 1 1 -23 -21 14 o 46.982  5.0604  290.016    56.777   379.497    111.080  258.370    66.059   49.404  9.6122  43.298  6.4876  6.106319       11.59672 
1 1 1 -23 -21 15 o 23.321  7.4804  77.673     47.952   87.490     90.250   73.811     56.602   25.106  9.9534  22.946  8.1263  2.160069       12.84942 
1 1 1 -23 -21 16 o 22.887  7.3275  74.224     46.028   86.899     77.697   67.370     57.132   24.747  9.3912  22.283  8.1293  2.464075       12.42097 
1 1 1 -23 -21 17 o 22.822  8.1715  72.218     57.384   -33.3028   111.168  110.547    67.000   20.107  9.3620  27.011  8.8561  -6.903677      12.88712 
1 1 1 -23 -21 18 o 22.872  8.3631  71.725     60.513   72.689     115.886  71.363     70.955   25.166  10.741  23.213  8.9345  1.952480       13.97144 
1 1 1 -23 -21 19 o 43.207  7.3979  264.941    74.769   296.051    133.048  250.581    90.393   40.149  12.405  40.176  9.4338  -0.2687836E-01 15.58453 
1 1 1 -23 -21 20 f 20.856  7.5331  57.183     48.881   -6.4943    80.983   93.678     61.309   18.690  8.4306  25.253  8.4783  -6.562712      11.95644 
1 1 1 -23 -21 21 o 38.621  6.1973  203.490    56.111   311.850    93.364   142.220    70.204   45.719  8.7347  30.428  8.9270  15.29137       12.48946 
1 1 1 -23 -21 22 o 73.328  4.7991  696.235    84.916   623.071    148.373  731.872    103.551  63.269  9.9971  74.128  5.8035  -10.85914      11.55950 
1 1 1 -23 -21 23 o 51.421  5.8890  354.677    72.151   408.625    124.000  327.064    88.716   50.501  10.464  47.584  7.9653  2.916157       13.15033 
1 1 1 -23 -21 24 o 24.631  10.188  74.476     99.246   132.853    206.967  57.044     113.098  29.900  13.483  24.251  10.484  5.649147       17.07974 
1 1 1 -23 -21 25 f 36.041  11.580  228.626    114.885  327.689    218.824  190.931    134.984  37.158  15.223  32.406  12.359  4.752296       19.60804 
1 1 1 -23 -21 26 o 28.843  11.349  134.079    116.523  176.849    196.242  110.789    144.815  31.302  13.668  27.945  11.969  3.356567       18.16855 
1 1 1 -23 -21 27 o 25.431  9.1497  95.257     72.026   32.243     128.850  123.896    86.866   23.838  10.704  28.067  10.053  -4.228985      14.68492 
1 1 1 -23 -21 28 o 25.990  9.1425  101.205    71.527   -20.4008   126.549  158.292    86.705   21.659  10.052  31.226  10.063  -9.566778      14.22396 
1 1 1 -23 -21 29 f 22.339  8.6939  63.433     67.764   -47.9823   124.250  110.603    80.846   20.542  9.6712  26.855  9.6898  -6.312754      13.69026 
1 1 1 -23 -21 30 o 40.925  7.9407  244.316    76.007   113.741    125.596  319.770    95.475   27.569  11.437  46.041  8.8681  -18.47133      14.47249 
1 1 1 -23 -21 31 o 20.632  8.3697  45.587     65.349   17.534     111.959  60.083     80.482   22.125  9.9527  22.654  9.2507  -0.5283852     13.58790 
1 1 1 -23 -21 32 o 21.931  8.5052  61.424     64.680   72.157     114.326  56.372     78.440   24.862  10.642  22.237  9.1125  2.624594       14.01004 
1 1 1 -23 -21 33 o 27.421  9.2194  117.348    72.497   19.150     121.129  172.158    90.495   22.630  10.250  32.095  10.274  -9.464643      14.51275 
1 1 1 -23 -21 34 o 35.040  8.6871  188.786    73.492   204.788    121.297  179.505    92.379   33.182  11.881  32.584  10.375  0.5980797      15.77332 
1 1 1 -23 -21 35 o 21.401  8.7403  52.160     71.857   -34.9099   126.845  93.307     87.199   20.854  9.8034  25.143  9.8408  -4.289871      13.89055 
1 1 1 -23 -21 36 o 39.179  9.5179  246.541    89.587   283.238    131.086  214.381    122.717  38.142  12.382  33.490  11.954  4.651711       17.21082 
1 1 1 -23 -21 37 o 50.855  15.148  590.533    200.882  590.533    200.882  0.0000     0.0000   50.855  15.148  ?       ?       0.000000       15.14763 
1 1 1 -23 -21 38 o 18.338  8.9824  -140.1281  134.836  -140.1281  134.836  0.0000     0.0000   18.338  8.9824  ?       ?       0.000000       8.982367 
1 1 1 -23 -21 39 o 29.790  12.005  175.640    133.503  175.640    133.503  0.0000     0.0000   29.790  12.005  ?       ?       0.000000       12.00538 
1 1 1 -23 -21 40 o 40.263  5.9763  225.252    56.612   146.137    75.910   324.402    84.980   29.434  9.4087  46.517  7.8056  -17.08247      12.22504 
1 1 1 -23 -21 41 o 20.085  7.0739  57.127     42.834   73.057     60.166   40.754     60.996   22.204  8.2989  19.319  7.9888  2.885201       11.51923 
1 1 1 -23 -21 42 o 19.475  7.1063  52.697     43.660   65.093     61.363   39.987     62.135   21.336  8.2815  19.224  8.0155  2.112312       11.52524 
1 1 1 -23 -21 43 o 13.720  6.4822  -38.7152   56.730   -662.7035  237.334  -0.9021    58.424   ?       ?       15.954  7.1818  0.000000       7.181763 
1 1 1 -23 -21 44 o 9.3686  4.7299  -147.8893  51.308   -17.4574   242.761  -153.9881  52.494   23.543  11.632  9.4067  4.7532  14.13622       12.56576 
1 1 1 -23 -21 45 o 13.730  6.1128  -0.6910    41.072   26.221     56.580   -30.6689   59.717   17.445  7.4771  14.339  6.7361  3.105926       10.06391 
1 1 1 -23 -21 46 o 10.059  4.8870  -52.0923   37.650   -72.0415   52.358   -30.7310   54.179   11.593  5.6611  13.591  6.3947  -1.997909      8.540502 
1 1 1 -23 -21 47 o 22.673  7.1942  81.562     44.445   118.504    63.315   45.676     62.404   25.934  8.6143  19.054  7.9953  6.879642       11.75287 
1 1 1 -23 -21 48 o 12.408  5.6976  -12.9710   39.123   -91.6734   54.614   69.990     56.072   11.168  5.5177  20.895  7.9663  -9.727167      9.690522 
1 1 1 -23 -21 49 o 11.174  5.3178  -34.1273   39.543   -16.0561   53.960   -55.0883   58.115   14.135  6.5618  12.848  6.2002  1.286968       9.027725 
1 1 1 -23 -21 50 o 19.390  8.4822  47.149     75.880   0.0000     0.0000   47.149     75.880   ?       ?       19.390  8.4822  0.000000       8.482233 
1 1 1 -23 -21 51 o 15.420  7.2213  -16.9844   67.710   0.0000     0.0000   -16.9844   67.710   ?       ?       15.420  7.2213  0.000000       7.221298 
1 1 1 -23 -21 52 o 21.725  9.6787  79.951     103.161  0.0000     0.0000   79.951     103.161  ?       ?       21.725  9.6787  0.000000       9.678717 
1 1 1 -23 -21 53 o 16.473  7.0939  24.629     51.373   4.3423     60.435   77.472     97.537   15.872  7.2089  21.571  9.5205  -5.698674      11.94185 
1 1 1 -23 -21 54 f 23.750  7.5458  94.109     48.882   61.104     60.592   155.628    82.724   19.941  8.0697  27.523  9.8159  -7.582514      12.70720 
1 1 1 -23 -21 55 o 21.563  6.8633  73.876     40.426   77.270     48.027   65.625     74.882   21.644  7.4984  20.525  8.6929  1.119089       11.48010 
1 1 1 -23 -21 56 o 16.020  7.4336  -5.4779    69.145   35.839     301.124  -7.7776    71.044   22.492  11.367  16.066  7.4816  6.426342       13.60800 
1 1 1 -23 -21 57 o 23.156  10.257  119.480    114.191  77.028     286.967  127.467    124.470  22.396  11.292  23.366  10.504  -0.9704857     15.42224 
1 1 1 -23 -21 58 o 24.820  10.779  168.269    120.623  174.509    257.314  166.512    136.557  22.851  11.404  24.167  10.920  -1.315289      15.78910 
1 1 1 -23 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -20 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -20 5  o 26.817  7.6607  107.689    52.328   0.0000     0.0000   107.689    52.328   ?       ?       26.817  7.6607  0.000000       7.660737 
1 1 1 -23 -20 6  o 49.522  4.1280  315.328    49.150   363.851    96.529   298.345    57.107   49.307  8.3676  47.527  5.0284  1.779938       9.762261 
1 1 1 -23 -20 7  o 29.033  5.7012  115.336    38.730   27.160     83.825   139.268    43.671   20.552  8.9550  31.877  5.8621  -11.32479      10.70313 
1 1 1 -23 -20 8  o 48.621  6.9013  331.191    79.133   513.990    173.362  283.080    88.939   51.164  13.694  43.159  8.7914  8.005196       16.27308 
1 1 1 -23 -20 9  o 34.769  8.0176  179.075    66.257   -103.9428  151.708  245.782    73.652   20.736  10.009  41.246  7.6407  -20.50986      12.59236 
1 1 1 -23 -20 10 o 29.935  5.8323  122.367    40.840   135.140    88.339   118.895    46.057   28.935  10.161  29.025  6.6786  -0.8987236E-01 12.15963 
1 1 1 -23 -20 11 o 67.260  4.6322  584.372    75.136   898.973    201.588  533.616    80.971   72.943  11.792  63.681  5.2881  9.261517       12.92367 
1 1 1 -23 -20 12 o 74.158  4.2319  702.455    75.832   759.414    138.572  678.106    90.603   72.699  7.9873  71.922  5.2275  0.7772751      9.545914 
1 1 1 -23 -20 13 o 85.990  4.2241  941.237    88.135   1001.26    152.766  911.291    107.903  84.276  7.5508  83.289  5.3679  0.9869385      9.264350 
1 1 1 -23 -20 14 o 51.179  4.9961  341.945    61.250   372.171    107.808  327.539    74.429   49.466  9.3241  49.003  6.4136  0.4625893      11.31698 
1 1 1 -23 -20 15 o 18.384  7.0719  37.715     44.436   95.651     80.748   12.548     53.219   25.687  9.6115  16.961  7.2603  8.725500       12.04544 
1 1 1 -23 -20 16 o 19.405  7.0264  47.497     42.565   -4.4440    81.593   66.917     49.892   18.908  8.5018  22.091  7.6432  -3.182775      11.43242 
1 1 1 -23 -20 17 o 27.807  8.4139  115.214    61.621   115.664    111.486  115.015    73.943   27.773  11.046  27.507  9.3106  0.2664146      14.44666 
1 1 1 -23 -20 18 o 42.185  8.4043  261.426    83.004   196.669    130.917  304.954    107.334  33.154  12.271  43.756  10.284  -10.60232      16.01042 
1 1 1 -23 -20 19 o 36.231  9.1743  201.107    80.735   205.587    127.030  198.071    104.572  33.926  12.157  34.288  11.052  -0.3619804     16.42959 
1 1 1 -23 -20 20 o 38.593  6.3354  203.349    57.267   134.968    94.641   242.848    71.929   29.173  10.489  41.431  7.4280  -12.25840      12.85278 
1 1 1 -23 -20 21 o 82.915  4.4203  879.228    88.610   713.149    142.851  983.093    112.969  69.913  8.6025  86.608  5.4027  -16.69534      10.15833 
1 1 1 -23 -20 22 o 87.329  5.0414  989.970    106.372  1184.06    226.199  934.862    120.531  85.664  11.147  83.772  5.9687  1.891518       12.64402 
1 1 1 -23 -20 23 o 38.445  7.2704  208.548    65.336   67.632     127.605  258.617    76.062   25.607  11.103  42.616  7.6363  -17.00911      13.47585 
1 1 1 -23 -20 24 o 20.594  8.8961  25.182     81.292   153.936    200.991  0.0004     88.887   30.893  13.649  19.833  8.8991  11.05988       16.29403 
1 1 1 -23 -20 25 o 47.945  9.5518  351.867    107.219  411.438    231.222  335.549    121.016  40.953  16.026  44.982  11.145  -4.028690      19.52004 
1 1 1 -23 -20 26 o 14.575  7.0530  -94.5832   76.453   15.957     202.943  -112.8658  82.534   26.640  12.484  14.729  7.1738  11.91120       14.39832 
1 1 1 -23 -20 27 o 15.443  6.9844  -14.6699   56.013   110.208    107.658  -61.0213   65.590   27.330  10.860  14.416  6.8575  12.91350       12.84351 
1 1 1 -23 -20 28 o 21.340  8.1126  56.955     58.046   -81.9634   110.476  109.930    68.221   18.488  8.8237  27.026  8.9401  -8.537542      12.56119 
1 1 1 -23 -20 29 o 54.602  5.6898  396.620    74.274   476.281    136.219  362.916    88.605   54.432  10.695  50.728  7.4178  3.704849       13.01579 
1 1 1 -23 -20 30 o 87.194  4.7926  982.961    101.008  904.570    171.406  1024.67    125.021  77.444  9.3082  87.642  5.9137  -10.19813      11.02786 
1 1 1 -23 -20 31 o 77.290  4.9710  777.013    92.730   875.646    163.827  730.515    112.484  76.610  8.9837  73.368  6.3821  3.242317       11.01996 
1 1 1 -23 -20 32 o 77.015  5.0052  772.885    93.024   977.773    162.443  672.911    113.472  82.023  8.2753  69.887  6.7767  12.13555       10.69598 
1 1 1 -23 -20 33 o 23.764  8.5599  80.355     63.057   180.036    122.444  44.377     73.562   31.759  11.845  21.128  8.7581  10.63048       14.73129 
1 1 1 -23 -20 34 o 45.829  6.8639  293.368    73.977   426.920    139.426  241.038    87.275   49.562  11.769  39.329  9.2931  10.23281       14.99589 
1 1 1 -23 -20 35 o 53.551  4.8284  374.414    62.064   405.105    85.704   340.571    89.997   54.062  6.6753  48.325  7.9519  5.736740       10.38233 
1 1 1 -23 -20 36 o 29.726  9.0393  139.226    70.994   139.226    70.994   0.0000     0.0000   29.726  9.0393  ?       ?       0.000000       9.039331 
1 1 1 -23 -20 37 o 55.016  7.4261  434.378    96.600   434.378    96.600   0.0000     0.0000   55.016  7.4261  ?       ?       0.000000       7.426106 
1 1 1 -23 -20 38 f 30.312  9.3535  149.341    75.671   149.341    75.671   0.0000     0.0000   30.312  9.3535  ?       ?       0.000000       9.353498 
1 1 1 -23 -20 39 o 22.623  7.4694  74.721     47.630   137.230    62.934   -9.0882    72.871   29.688  8.3737  17.387  7.9044  12.30056       11.51511 
1 1 1 -23 -20 40 o 32.234  6.4898  148.012    49.003   169.033    73.061   130.823    66.066   32.318  8.9896  28.582  8.7264  3.736856       12.52844 
1 1 1 -23 -20 41 o 23.004  7.2222  78.619     44.896   61.558     63.429   95.749     63.556   21.326  8.3792  24.666  8.6214  -3.340563      12.02242 
1 1 1 -23 -20 42 o 23.487  7.1373  82.684     44.271   131.066    62.294   33.312     62.929   28.544  8.4189  18.866  7.9784  9.678183       11.59881 
1 1 1 -23 -20 43 o 18.547  8.0873  24.414     68.482   -265.6942  246.380  48.704     71.292   21.085  10.609  20.385  8.5494  0.6991425      13.62548 
1 1 1 -23 -20 44 o 19.010  8.3070  29.081     72.596   -23.7680   251.999  33.864     75.810   23.904  11.818  19.510  8.5080  4.394922       14.56217 
1 1 1 -23 -20 45 o 15.970  6.6657  22.195     43.033   -0.2502    59.871   46.184     61.896   16.042  7.2413  19.438  8.0436  -3.396048      10.82295 
1 1 1 -23 -20 46 o 13.197  5.9185  -4.1350    39.265   9.6510     56.478   -17.0323   54.627   16.237  7.2014  14.414  6.6595  1.823146       9.808651 
1 1 1 -23 -20 47 o 20.888  7.1782  67.328     43.970   56.196     63.186   77.780     61.225   20.026  8.1893  21.914  8.3316  -1.888496      11.68247 
1 1 1 -23 -20 48 o 14.098  6.2448  3.6249     42.339   24.814     58.859   -19.0960   60.950   17.272  7.5151  14.863  6.9242  2.409296       10.21873 
1 1 1 -23 -20 49 o 15.695  7.1227  1.5821     58.842   0.0000     0.0000   1.5821     58.842   ?       ?       15.695  7.1227  0.000000       7.122706 
1 1 1 -23 -20 50 o 11.207  5.5964  -125.9407  62.418   0.0000     0.0000   -125.9407  62.418   ?       ?       11.207  5.5964  0.000000       5.596448 
1 1 1 -23 -20 51 o 17.573  7.9930  14.926     74.630   -36.1364   237.823  20.503     78.601   21.556  10.788  18.099  8.2207  3.457203       13.56334 
1 1 1 -23 -20 52 o 17.888  7.3967  40.462     52.285   55.801     61.400   0.0005     99.723   19.547  8.0422  18.375  8.6548  1.172108       11.81452 
1 1 1 -23 -20 53 o 14.622  6.3838  10.887     42.791   16.604     47.541   -13.5100   98.209   15.566  6.7634  17.833  8.4559  -2.267071      10.82800 
1 1 1 -23 -20 54 o 19.716  7.2395  60.030     45.413   42.955     54.666   98.060     81.582   18.264  7.5587  22.999  9.3438  -4.734854      12.01833 
1 1 1 -23 -20 55 o 15.832  6.4749  27.558     39.502   40.885     46.342   -7.8639    75.550   17.637  7.0854  16.556  7.7117  1.081491       10.47252 
1 1 1 -23 -20 56 o 27.309  11.292  193.150    121.848  249.689    250.941  175.707    139.382  25.412  12.406  25.683  11.356  -0.2708073     16.81870 
1 1 1 -23 -20 57 o 21.279  9.6940  73.715     110.332  526.666    269.209  -17.7258   120.958  29.315  13.930  18.525  8.9410  10.78996       16.55213 
1 1 1 -23 -20 58 o 19.640  9.2718  36.438     115.659  -145.1958  266.111  78.740     128.423  19.955  10.144  21.254  9.9506  -1.298563      14.20950 
1 1 1 -23 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -19 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -19 5  o 16.820  6.2711  33.082     34.314   0.0000     0.0000   33.082     34.314   ?       ?       16.820  6.2711  0.000000       6.271133 
1 1 1 -23 -19 6  o 22.786  5.8611  71.836     32.590   61.580     72.141   74.465     36.530   22.300  8.8806  23.036  6.3370  -0.7361526     10.90973 
1 1 1 -23 -19 7  o 24.952  5.9937  86.200     35.834   152.804    77.990   68.376     40.345   31.016  9.4833  22.068  6.8330  8.948397       11.68859 
1 1 1 -23 -19 8  o ?       ?       -113.0655  27.617   -236.8540  125.875  -106.8052  28.307   16.130  8.0379  ?       ?       0.000000       8.037863 
1 1 1 -23 -19 9  o 35.376  5.4698  167.176    45.437   55.171     143.488  179.659    47.902   25.503  11.385  36.640  5.5629  -11.13638      12.67098 
1 1 1 -23 -19 10 o 61.379  4.6261  485.913    68.391   556.277    186.868  475.031    73.489   53.552  14.164  60.332  5.0670  -6.780254      15.04270 
1 1 1 -23 -19 11 o 66.813  4.1402  568.351    66.788   611.084    121.773  549.966    79.873   65.567  7.8078  64.929  5.1112  0.6378555      9.331972 
1 1 1 -23 -19 12 o 50.936  4.8582  336.913    59.316   271.105    112.380  362.327    69.836   40.205  11.137  52.297  5.5901  -12.09146      12.46116 
1 1 1 -23 -19 13 o 63.961  4.4186  523.916    68.155   619.620    120.383  478.770    82.682   66.338  7.6170  60.061  5.7436  6.277077       9.539816 
1 1 1 -23 -19 14 o 70.598  4.2017  634.441    71.649   640.459    122.104  631.281    88.484   67.530  7.5830  69.485  5.2879  -1.954948      9.244692 
1 1 1 -23 -19 15 o 33.835  6.2137  156.178    49.133   54.522     87.175   203.503    59.480   22.948  9.5250  38.466  6.6110  -15.51824      11.59444 
1 1 1 -23 -19 16 o 52.187  4.9115  353.347    61.461   271.816    103.924  397.202    76.219   41.261  10.387  54.647  5.8385  -13.38641      11.91581 
1 1 1 -23 -19 17 o 32.176  9.1587  158.157    74.932   207.714    120.650  127.038    95.607   34.564  11.890  28.661  10.507  5.902870       15.86722 
1 1 1 -23 -19 18 o 25.500  9.1757  93.121     72.438   93.568     113.124  92.811     94.309   26.648  10.934  26.011  10.218  0.6366253      14.96572 
1 1 1 -23 -19 19 f 24.976  9.2860  86.702     75.135   65.654     116.568  101.661    98.272   25.212  10.767  26.778  10.456  -1.566914      15.00887 
1 1 1 -23 -19 20 o 60.011  5.4561  472.620    78.579   543.056    178.576  455.707    87.506   54.689  13.531  58.210  6.2958  -3.520844      14.92422 
1 1 1 -23 -19 21 o 40.512  6.2555  222.189    59.510   159.827    102.196  254.184    73.201   31.352  10.934  42.588  7.3493  -11.23626      13.17421 
1 1 1 -23 -19 22 o 48.937  6.1354  321.489    71.251   368.903    135.057  303.203    83.873   46.645  11.896  46.255  7.7469  0.3896828      14.19592 
1 1 1 -23 -19 23 o 16.216  7.2329  -7.1437    57.789   -56.5025   122.621  6.9490     65.521   20.462  9.6255  18.048  7.8890  2.414225       12.44532 
1 1 1 -23 -19 24 o 16.310  7.6084  -43.1931   73.983   -190.6284  191.971  -17.4755   80.177   21.834  10.700  18.214  8.2846  3.619196       13.53199 
1 1 1 -23 -19 25 o 20.587  8.9078  23.015     81.780   46.074     191.307  17.860     90.462   27.374  12.580  20.992  9.2204  6.381676       15.59753 
1 1 1 -23 -19 26 o 51.191  8.9545  387.984    107.174  422.977    226.422  377.880    121.667  42.301  16.037  48.754  10.588  -6.452652      19.21674 
1 1 1 -23 -19 27 o 31.854  8.3372  150.240    65.190   61.158     138.505  175.590    73.885   25.863  11.383  34.121  8.8495  -8.257607      14.41844 
1 1 1 -23 -19 28 o 80.557  4.8123  837.168    93.632   772.600    160.961  870.191    115.112  71.638  9.4940  80.942  5.9019  -9.303909      11.17889 
1 1 1 -23 -19 29 o 73.025  4.9775  691.571    87.670   689.028    154.690  692.775    106.409  67.207  9.7723  71.882  6.1604  -4.675003      11.55203 
1 1 1 -23 -19 30 o 60.441  5.4104  480.410    78.505   353.029    143.656  534.649    93.741   44.059  12.725  63.029  6.2102  -18.96981      14.15971 
1 1 1 -23 -19 31 o 71.176  4.2953  646.932    73.834   676.022    104.297  617.706    104.538  70.994  6.1143  67.474  6.4643  3.520081       8.897839 
1 1 1 -23 -19 32 o 70.516  4.3392  636.062    73.883   680.500    105.602  593.453    103.405  71.113  6.1816  66.000  6.5432  5.112137       9.001449 
1 1 1 -23 -19 33 o 41.535  5.6392  230.551    55.364   243.398    74.081   214.297    83.324   41.160  7.7008  37.238  9.2607  3.922173       12.04418 
1 1 1 -23 -19 34 o 16.343  6.7973  17.977     44.524   38.776     57.764   -12.4686   69.888   19.554  7.8910  17.211  7.7913  2.342699       11.08932 
1 1 1 -23 -19 35 o 31.808  8.8353  155.757    70.627   155.757    70.627   0.0000     0.0000   31.808  8.8353  ?       ?       0.000000       8.835299 
1 1 1 -23 -19 36 o 18.681  7.9463  23.225     63.032   23.225     63.032   0.0000     0.0000   18.681  7.9463  ?       ?       0.000000       7.946323 
1 1 1 -23 -19 37 o 24.111  8.9788  83.856     70.302   83.856     70.302   0.0000     0.0000   24.111  8.9788  ?       ?       0.000000       8.978814 
1 1 1 -23 -19 38 o 43.509  6.7191  265.389    68.649   294.165    81.819   196.955    126.175  44.846  7.8025  32.251  12.025  12.59494       14.33464 
1 1 1 -23 -19 39 o 41.864  5.1270  233.180    50.992   270.918    76.526   203.045    68.385   43.076  7.5995  36.932  7.8719  6.144566       10.94162 
1 1 1 -23 -19 40 o 14.829  6.3804  7.7676     41.486   1.1315     57.810   14.814     59.570   16.375  7.2733  17.496  7.5864  -1.120535      10.50972 
1 1 1 -23 -19 41 o 23.322  7.1608  80.255     44.414   52.583     63.447   106.847    62.195   20.647  8.2919  26.037  8.5324  -5.390820      11.89777 
1 1 1 -23 -19 42 o 12.752  5.8117  -14.1717   39.706   35.684     57.926   -58.3564   54.532   18.766  7.7748  12.686  6.0930  6.080618       9.877824 
1 1 1 -23 -19 43 o 23.701  9.1995  87.922     75.723   -156.7751  250.741  112.478    79.431   22.684  11.310  25.790  9.5559  -3.106190      14.80655 
1 1 1 -23 -19 44 o 23.083  9.2780  81.974     79.509   190.508    255.154  70.302     83.675   27.860  13.328  22.339  9.3070  5.521078       16.25584 
1 1 1 -23 -19 45 o 23.929  7.0236  87.247     43.449   107.738    62.941   68.594     60.054   25.433  8.5902  21.436  8.2271  3.997267       11.89434 
1 1 1 -23 -19 46 o 7.8317  3.9490  -103.0910  35.123   -42.8583   46.562   -182.6157  53.501   12.015  5.7327  8.9766  4.5617  3.038629       7.326171 
1 1 1 -23 -19 47 o 11.431  5.4189  -33.8274   40.275   47.036     57.300   -112.7831  56.620   19.106  7.8041  10.925  5.4354  8.180819       9.510407 
1 1 1 -23 -19 48 o 17.815  7.7925  26.277     64.020   0.0000     0.0000   26.277     64.020   ?       ?       17.815  7.7925  0.000000       7.792483 
1 1 1 -23 -19 49 o 18.661  7.9051  41.584     61.947   0.0000     0.0000   41.584     61.947   ?       ?       18.661  7.9051  0.000000       7.905101 
1 1 1 -23 -19 50 o 19.297  8.5480  39.766     79.332   -216.6158  238.753  71.586     84.111   19.868  10.048  21.336  9.1300  -1.468410      13.57620 
1 1 1 -23 -19 51 o 18.325  7.1897  47.047     46.634   38.550     58.179   62.319     77.997   18.118  7.6673  20.564  8.7955  -2.445301      11.66823 
1 1 1 -23 -19 52 o 11.409  5.3705  -26.4213   38.293   -1.4297    41.942   -151.5956  93.866   13.594  6.1053  13.862  6.9130  -0.2682142     9.223028 
1 1 1 -23 -19 53 o 14.129  6.2540  4.8128     42.390   20.920     46.951   -66.2113   98.591   15.905  6.8141  16.292  7.9137  -0.3869247     10.44315 
1 1 1 -23 -19 54 o 37.607  6.4050  210.802    56.352   92.645     71.146   409.725    92.313   22.841  8.9029  50.563  7.7732  -27.72229      11.81879 
1 1 1 -23 -19 55 o 17.904  7.0610  43.515     45.198   3.2908     53.771   140.367    83.437   15.286  6.8847  26.377  9.7898  -11.09079      11.96824 
1 1 1 -23 -19 56 o 14.912  7.4246  -146.9659  106.505  -304.7139  242.076  -109.1016  118.600  18.954  9.6389  16.495  8.1461  2.459579       12.62010 
1 1 1 -23 -19 57 o 17.610  8.4506  -25.2207   104.372  94.556     257.601  -48.7456   114.163  22.921  11.434  17.478  8.4957  5.442400       14.24463 
1 1 1 -23 -19 58 o 19.027  8.9613  23.207     106.881  173.086    266.091  -5.6255    116.709  23.237  11.597  18.488  8.8884  4.749651       14.61109 
1 1 1 -23 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -18 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -18 5  o 43.778  4.4893  247.913    47.013   370.202    111.756  221.619    51.821   48.606  9.8139  40.845  5.3581  7.761120       11.18126 
1 1 1 -23 -18 6  o 54.395  4.0811  377.339    53.472   342.310    101.377  390.841    62.939   47.547  9.1190  54.882  4.7739  -7.334881      10.29307 
1 1 1 -23 -18 7  o 45.317  4.2831  263.500    46.537   284.936    84.762   254.251    55.680   44.204  8.2048  43.864  5.3418  0.3401566      9.790471 
1 1 1 -23 -18 8  o 56.140  6.5910  430.297    88.073   415.839    184.997  434.535    100.151  44.494  14.722  55.394  7.6558  -10.89999      16.59377 
1 1 1 -23 -18 9  o 17.025  6.1879  34.453     33.057   -116.0184  143.610  42.872     33.970   20.229  9.7581  18.297  6.3081  1.932398       11.61951 
1 1 1 -23 -18 10 o 32.931  5.3391  144.039    41.200   89.597     85.513   160.497    47.017   25.433  9.8028  34.532  5.8181  -9.099211      11.39939 
1 1 1 -23 -18 11 o 29.470  6.5774  120.677    45.840   84.966     90.480   133.010    53.169   25.274  9.9831  30.580  7.2720  -5.306221      12.35085 
1 1 1 -23 -18 12 o 25.244  6.9036  89.655     43.503   119.927    82.109   77.841     51.294   28.083  9.8002  23.548  7.7503  4.534607       12.49440 
1 1 1 -23 -18 13 o 44.386  5.1987  257.924    54.929   382.001    128.066  229.952    60.806   48.515  11.117  41.213  6.2790  7.301819       12.76792 
1 1 1 -23 -18 14 o 78.533  4.1362  781.946    78.539   621.299    130.145  873.962    98.496   65.849  8.3319  82.275  4.9570  -16.42625      9.694991 
1 1 1 -23 -18 15 o 68.826  4.3660  603.732    72.535   628.785    118.408  588.683    91.770   67.394  7.3607  66.837  5.7137  0.5571060      9.318025 
1 1 1 -23 -18 16 o 87.469  4.2490  969.132    90.179   951.923    147.458  979.413    113.978  83.002  7.3993  86.627  5.4504  -3.624496      9.190030 
1 1 1 -23 -18 17 o 76.357  6.2476  777.878    114.738  781.277    178.925  775.504    149.531  70.757  10.761  73.471  8.5476  -2.714157      13.74242 
1 1 1 -23 -18 18 o 49.918  7.9644  353.044    93.224   417.773    159.711  319.593    114.812  48.238  13.242  44.867  10.697  3.371265       17.02320 
1 1 1 -23 -18 19 o 55.012  7.8454  425.843    101.756  407.159    176.478  435.148    124.544  45.887  14.305  53.489  9.9626  -7.601959      17.43214 
1 1 1 -23 -18 20 o 27.188  8.0418  106.792    56.768   112.707    102.276  104.159    68.245   27.865  10.726  26.726  8.9451  1.138924       13.96658 
1 1 1 -23 -18 21 o 26.343  7.8792  99.517     54.269   100.974    104.318  98.976     63.544   27.085  10.713  26.173  8.6268  0.9123554      13.75445 
1 1 1 -23 -18 22 o 42.826  6.3497  247.620    63.983   266.528    120.833  240.253    75.425   39.739  11.727  41.128  7.8444  -1.388252      14.10844 
1 1 1 -23 -18 23 o 38.023  6.8615  199.286    60.975   243.889    113.714  181.287    72.237   38.275  11.396  35.089  8.5605  3.185989       14.25302 
1 1 1 -23 -18 24 o 66.505  7.4961  613.963    118.854  447.157    243.333  666.227    136.207  43.282  16.573  68.244  8.4031  -24.96208      18.58140 
1 1 1 -23 -18 25 o 85.184  7.0372  990.854    144.152  937.034    277.340  1010.78    168.735  66.123  17.143  84.150  8.3752  -18.02608      19.07965 
1 1 1 -23 -18 26 o 65.387  7.7397  599.494    120.412  648.307    241.995  583.431    138.817  53.997  16.737  62.575  9.4359  -8.578461      19.21408 
1 1 1 -23 -18 27 o 81.065  5.3893  857.650    105.402  1017.18    265.112  827.700    114.871  72.227  15.585  78.925  6.0443  -6.698372      16.71595 
1 1 1 -23 -18 28 o 51.353  4.8589  341.302    59.824   351.795    83.194   330.067    86.088   50.562  6.9661  48.461  7.5687  2.101185       10.28643 
1 1 1 -23 -18 29 o 32.884  6.3598  148.180    48.910   165.360    67.509   129.201    70.956   33.502  8.3379  29.225  9.0639  4.276844       12.31565 
1 1 1 -23 -18 30 o 34.239  6.2907  160.115    50.336   123.696    67.154   206.813    76.043   28.711  8.8035  37.375  8.5682  -8.663807      12.28479 
1 1 1 -23 -18 31 o 38.704  5.8577  201.006    53.290   191.415    73.587   211.581    77.275   35.883  8.5698  37.737  8.6274  -1.854107      12.16028 
1 1 1 -23 -18 32 o 24.041  7.4700  82.098     48.170   34.580     65.131   139.473    71.567   19.932  8.2497  30.226  9.0500  -10.29483      12.24583 
1 1 1 -23 -18 33 o 56.554  4.8334  414.516    65.689   369.378    91.423   462.689    94.446   51.085  7.6078  57.999  6.8429  -6.914928      10.23252 
1 1 1 -23 -18 34 o 50.121  7.4667  354.711    88.033   354.711    88.033   0.0000     0.0000   50.121  7.4667  ?       ?       0.000000       7.466674 
1 1 1 -23 -18 35 o 59.988  6.6094  492.865    94.607   492.865    94.607   0.0000     0.0000   59.988  6.6094  ?       ?       0.000000       6.609441 
1 1 1 -23 -18 36 o 32.603  9.4127  167.682    78.614   167.682    78.614   0.0000     0.0000   32.603  9.4127  ?       ?       0.000000       9.412724 
1 1 1 -23 -18 37 o 23.118  8.0023  76.062     54.694   123.998    64.890   -41.5364   101.637  28.473  8.6384  18.930  8.8593  9.543396       12.37368 
1 1 1 -23 -18 38 o 37.889  6.6376  200.745    58.799   238.711    77.478   149.181    90.293   40.016  8.2537  29.943  10.287  10.07267       13.18860 
1 1 1 -23 -18 39 o 15.979  6.4791  21.990     39.140   42.796     58.914   5.5499     52.368   19.797  7.9763  16.150  7.0563  3.647459       10.64957 
1 1 1 -23 -18 40 o 14.218  6.2923  -2.6091    42.893   65.084     63.527   -59.3265   58.149   21.968  8.4542  13.283  6.3564  8.684947       10.57719 
1 1 1 -23 -18 41 o 15.927  6.5728  20.144     41.167   0.9245     59.606   37.673     56.925   16.546  7.3653  19.030  7.7765  -2.484243      10.71080 
1 1 1 -23 -18 42 o 25.076  7.3672  94.357     47.785   110.132    68.850   79.697     66.374   26.134  8.9823  23.141  8.7033  2.993296       12.50717 
1 1 1 -23 -18 43 o 24.333  9.3095  93.889     76.742   -53.6335   248.320  109.466    80.692   24.255  11.942  25.651  9.6062  -1.396027      15.32612 
1 1 1 -23 -18 44 o 15.944  7.2577  -8.7840    61.688   -150.0841  243.454  0.9107     63.770   22.451  11.186  16.718  7.5168  5.732265       13.47689 
1 1 1 -23 -18 45 o 15.832  6.7597  16.172     45.924   -0.7169    74.006   26.748     58.564   17.468  7.9506  17.861  7.6300  -0.3928204     11.01945 
1 1 1 -23 -18 46 o 19.357  7.4756  51.240     49.808   -62.1919   79.166   125.560    64.080   15.250  7.3290  27.269  8.6370  -12.01925      11.32747 
1 1 1 -23 -18 47 o 38.915  9.1024  258.635    84.416   0.0000     0.0000   258.635    84.416   ?       ?       38.915  9.1024  0.000000       9.102403 
1 1 1 -23 -18 48 o 21.759  9.0800  73.157     79.826   0.0000     0.0000   73.157     79.826   ?       ?       21.759  9.0800  0.000000       9.079954 
1 1 1 -23 -18 49 o 16.820  7.8787  -16.1948   80.675   -40.9553   271.437  -13.7956   84.493   22.640  11.358  17.207  8.0610  5.432346       13.92812 
1 1 1 -23 -18 50 o 26.752  7.9242  120.063    55.089   178.872    71.971   36.862     85.605   31.590  8.9704  19.509  8.7449  12.08091       12.52764 
1 1 1 -23 -18 51 o 21.746  7.3264  75.802     45.782   94.348     55.428   35.980     81.219   23.559  8.0606  19.209  8.5706  4.350582       11.76559 
1 1 1 -23 -18 52 o 10.009  4.8624  -50.4572   37.263   -38.6681   40.504   -115.4135  95.075   11.126  5.3192  14.802  7.3071  -3.675619      9.038124 
1 1 1 -23 -18 53 o 18.566  7.3523  47.859     49.194   16.620     54.269   191.811    116.498  16.270  7.1439  28.211  11.269  -11.94155      13.34270 
1 1 1 -23 -18 54 o 55.611  6.8418  467.478    90.372   532.027    105.961  295.231    173.092  57.827  7.7465  30.084  12.988  27.74334       15.12286 
1 1 1 -23 -18 55 o 14.786  6.3994  12.725     42.233   1.3791     49.390   43.588     81.457   14.733  6.6205  19.647  8.6844  -4.913840      10.92015 
1 1 1 -23 -18 56 o 14.853  7.3535  -123.9757  98.819   -221.7145  245.420  -105.0630  107.958  19.875  10.066  15.953  7.8583  3.922707       12.77005 
1 1 1 -23 -18 57 f 16.868  8.2446  -70.3670   111.801  -268.8185  257.982  -24.4783   124.055  ?       ?       18.658  9.0174  0.000000       9.017373 
1 1 1 -23 -18 58 o 21.650  9.8097  86.188     111.073  315.877    270.518  39.613     121.815  25.249  12.438  20.097  9.4962  5.151897       15.64871 
1 1 1 -23 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -17 4  o 26.200  6.7862  97.119     43.486   0.0000     0.0000   97.119     43.486   ?       ?       26.200  6.7862  0.000000       6.786179 
1 1 1 -23 -17 5  o 9.9676  4.4996  -9.7920    23.120   -76.0655   62.700   0.6370     24.873   13.428  6.4701  11.453  4.9341  1.974807       8.136833 
1 1 1 -23 -17 6  f 29.615  6.3889  121.294    44.560   129.296    72.781   116.496    56.358   29.067  9.2045  28.224  7.9113  0.8423195      12.13715 
1 1 1 -23 -17 7  o 40.408  6.0782  220.290    57.749   194.228    85.985   241.707    77.946   35.207  9.7378  40.817  8.1555  -5.610233      12.70185 
1 1 1 -23 -17 8  o 59.904  6.4201  484.695    91.863   420.036    184.101  506.132    106.003  45.401  14.667  60.253  7.4066  -14.85173      16.43120 
1 1 1 -23 -17 9  o 34.220  5.4752  155.647    43.929   168.401    89.899   151.647    50.350   32.519  10.222  33.216  6.4799  -0.6969566     12.10242 
1 1 1 -23 -17 10 o 61.270  4.1581  476.879    61.451   530.179    114.270  455.194    72.887   61.295  7.8647  59.173  5.1272  2.121864       9.388349 
1 1 1 -23 -17 11 o 63.097  4.2524  506.381    64.725   558.334    115.335  482.497    78.201   63.157  7.6846  60.774  5.3579  2.382751       9.368004 
1 1 1 -23 -17 12 o 29.493  6.1305  118.466    42.439   93.272     80.259   128.244    50.002   25.809  9.5971  30.287  6.9512  -4.478119      11.85002 
1 1 1 -23 -17 13 o 47.425  4.7454  289.889    53.873   243.234    91.151   314.934    66.785   40.035  9.5223  48.803  5.7502  -8.768627      11.12378 
1 1 1 -23 -17 14 o 37.500  5.7675  187.154    50.798   142.641    83.377   213.429    64.059   30.477  9.8732  39.348  6.9644  -8.871029      12.08233 
1 1 1 -23 -17 15 o 18.475  6.9450  38.683     42.254   184.552    68.435   -51.1868   53.716   35.833  8.0656  13.252  6.2749  22.58136       10.21898 
1 1 1 -23 -17 16 o 12.802  5.9286  -28.7034   43.662   -41.6235   71.957   -21.1743   54.930   16.245  7.5533  15.042  6.8477  1.203299       10.19528 
1 1 1 -23 -17 17 o 24.335  9.4425  74.374     79.755   112.006    146.959  58.664     94.955   29.096  12.242  23.998  9.9493  5.097172       15.77535 
1 1 1 -23 -17 18 o 31.821  10.071  156.352    87.132   158.629    151.987  155.237    106.343  31.638  12.789  31.343  11.134  0.2957783      16.95665 
1 1 1 -23 -17 19 o 16.891  7.6243  -15.8770   66.367   -123.7193  142.937  13.762     74.934   20.359  9.8000  19.613  8.5064  0.7466354      12.97689 
1 1 1 -23 -17 20 o 14.702  6.5504  -9.0524    47.256   58.166     85.638   -38.4812   56.664   23.441  9.5539  14.349  6.6820  9.091941       11.65874 
1 1 1 -23 -17 21 o 12.268  5.8240  -48.6097   46.848   -11.9092   82.292   -66.2066   56.982   18.891  8.5120  13.105  6.2767  5.786522       10.57603 
1 1 1 -23 -17 22 o 30.925  8.1545  138.335    62.063   42.337     108.346  185.217    75.716   23.862  10.289  35.421  8.8384  -11.55854      13.56392 
1 1 1 -23 -17 23 o 23.179  8.3252  71.295     59.606   -4.2933    107.279  105.050    71.690   21.489  9.6972  26.928  9.1674  -5.439819      13.34451 
1 1 1 -23 -17 24 o 25.986  10.362  86.212     98.347   250.913    204.023  36.358     112.249  35.989  14.716  23.755  10.356  12.23385       17.99504 
1 1 1 -23 -17 25 o 27.061  10.272  103.408    92.964   -92.3995   209.751  151.274    103.706  25.050  12.010  30.958  10.996  -5.907982      16.28336 
1 1 1 -23 -17 26 o 45.244  9.5162  307.517    101.158  219.525    216.703  332.034    114.385  34.407  14.687  46.122  10.462  -11.71475      18.03211 
1 1 1 -23 -17 27 o 53.016  4.7826  361.995    60.861   393.039    84.913   329.199    87.276   53.883  6.6349  48.442  7.6816  5.441032       10.15028 
1 1 1 -23 -17 28 o 21.137  7.1906  59.467     44.105   77.138     58.696   36.547     66.845   23.687  8.2848  20.371  8.3874  3.315842       11.78927 
1 1 1 -23 -17 29 o 64.920  4.4296  537.959    69.360   593.896    98.146   482.150    98.033   66.762  6.1270  59.385  6.9341  7.377747       9.253237 
1 1 1 -23 -17 30 o 63.567  4.5282  517.306    69.386   529.304    97.735   505.114    98.523   62.594  6.5312  60.900  6.7827  1.694641       9.416013 
1 1 1 -23 -17 31 o 37.418  6.0182  188.576    52.788   154.998    72.567   226.313    76.931   32.020  8.9778  39.422  8.3048  -7.402454      12.22993 
1 1 1 -23 -17 32 o 66.979  4.4722  574.053    72.265   584.199    101.228  563.510    103.195  65.816  6.4206  64.343  6.7085  1.472359       9.285907 
1 1 1 -23 -17 33 o 49.603  7.3732  344.349    86.042   344.349    86.042   0.0000     0.0000   49.603  7.3732  ?       ?       0.000000       7.373183 
1 1 1 -23 -17 34 o 28.765  9.0854  125.865    70.946   125.865    70.946   0.0000     0.0000   28.765  9.0854  ?       ?       0.000000       9.085438 
1 1 1 -23 -17 35 o 14.266  6.6848  -41.7819   58.182   -41.7819   58.182   0.0000     0.0000   14.266  6.6848  ?       ?       0.000000       6.684849 
1 1 1 -23 -17 36 o 55.563  6.4659  420.989    85.543   470.918    99.205   276.242    168.914  58.064  7.1957  36.630  13.860  21.43344       15.61635 
1 1 1 -23 -17 37 o 14.424  6.4067  -5.4882    44.858   -90.0520   61.960   87.666     65.030   12.780  6.2226  24.583  8.7099  -11.80346      10.70435 
1 1 1 -23 -17 38 o 31.125  7.4677  140.891    55.675   132.175    71.866   153.975    88.049   29.080  9.1388  30.612  10.158  -1.531410      13.66392 
1 1 1 -23 -17 39 o 11.784  5.4402  -21.6757   36.344   -39.2510   60.236   -11.6153   45.573   14.550  6.8128  14.033  6.3278  0.5162802      9.298149 
1 1 1 -23 -17 40 o 45.116  5.6759  274.864    60.759   289.129    94.161   264.688    79.532   42.850  9.3216  42.223  8.0570  0.6275024      12.32103 
1 1 1 -23 -17 41 o 46.803  5.8784  299.018    65.284   367.820    100.826  249.349    85.667   48.850  8.8314  39.739  9.0828  9.111134       12.66852 
1 1 1 -23 -17 42 o 24.566  8.2921  92.584     58.650   206.962    89.052   4.9694     77.940   34.795  10.010  18.529  8.3222  16.26600       13.01780 
1 1 1 -23 -17 43 o 21.978  9.4916  52.406     92.497   4.0821     249.939  60.074     99.566   25.419  12.403  22.711  9.8278  2.707333       15.82473 
1 1 1 -23 -17 44 o 20.982  9.3855  31.962     98.057   -104.8246  251.725  56.431     106.467  23.445  11.630  22.565  9.9537  0.8797646      15.30790 
1 1 1 -23 -17 45 o 20.812  8.1606  60.276     60.048   42.368     84.382   78.649     85.471   20.630  8.9870  22.980  9.4755  -2.349293      13.05954 
1 1 1 -23 -17 46 o 53.153  8.1697  442.353    101.992  0.0000     0.0000   442.353    101.992  ?       ?       53.153  8.1697  0.000000       8.169657 
1 1 1 -23 -17 47 o 36.164  10.175  242.958    93.041   0.0000     0.0000   242.958    93.041   ?       ?       36.164  10.175  0.000000       10.17493 
1 1 1 -23 -17 48 o 22.391  9.3615  79.764     85.085   0.0000     0.0000   79.764     85.085   ?       ?       22.391  9.3615  0.000000       9.361546 
1 1 1 -23 -17 49 o 24.024  8.9012  101.610    68.919   36.970     80.859   273.282    131.773  19.474  8.6280  32.907  12.285  -13.43315      15.01227 
1 1 1 -23 -17 50 o 22.476  7.1025  79.723     43.352   96.638     49.767   26.500     88.279   24.316  7.5990  19.202  8.7181  5.113543       11.56503 
1 1 1 -23 -17 51 o 61.512  4.8640  516.422    72.003   465.343    92.176   596.380    115.327  55.225  7.0390  60.819  8.0099  -5.593910      10.66326 
1 1 1 -23 -17 52 o 30.462  7.6192  150.303    56.173   132.365    61.359   243.179    139.616  27.606  8.4055  29.863  12.188  -2.257240      14.80561 
1 1 1 -23 -17 53 o 27.487  7.8030  125.054    54.466   135.728    59.372   68.353     136.835  28.253  8.1868  22.334  10.395  5.919071       13.23168 
1 1 1 -23 -17 54 o 13.538  5.9651  3.4408     38.132   -1.6318    42.496   24.400     86.382   13.731  6.1578  18.995  8.6240  -5.263772      10.59680 
1 1 1 -23 -17 55 o 24.623  7.2976  97.417     46.711   92.141     53.144   115.334    97.942   23.496  7.8935  24.249  10.083  -0.7528248     12.80541 
1 1 1 -23 -17 56 o 20.578  9.5721  37.772     115.772  -47.4682   257.701  59.325     129.584  21.980  11.033  21.691  10.102  0.2888870      14.95912 
1 1 1 -23 -17 57 o 17.181  8.2810  -40.7393   102.896  -49.0868   255.672  -39.1259   112.401  21.548  10.838  17.768  8.5864  3.780081       13.82726 
1 1 1 -23 -17 58 o 14.566  7.2661  -145.1405  104.021  -374.6666  228.801  -85.3382   116.789  ?       ?       16.623  8.1853  0.000000       8.185327 
1 1 1 -23 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -16 4  o 20.874  6.8105  59.181     39.640   0.0000     0.0000   59.181     39.640   ?       ?       20.874  6.8105  0.000000       6.810455 
1 1 1 -23 -16 5  f 39.275  4.8224  200.624    44.991   150.174    100.490  213.273    50.315   30.520  10.826  40.251  5.2790  -9.731438      12.04423 
1 1 1 -23 -16 6  o 22.790  6.9764  72.212     42.193   150.676    74.005   34.424     51.358   31.462  9.1469  18.762  7.4862  12.70042       11.81984 
1 1 1 -23 -16 7  o 35.842  6.6202  176.546    55.454   239.258    84.937   129.956    73.210   40.057  8.9628  29.301  9.2264  10.75576       12.86307 
1 1 1 -23 -16 8  o 80.040  5.9720  848.286    115.148  891.214    209.571  829.723    137.814  73.345  12.205  77.434  7.4260  -4.089836      14.28658 
1 1 1 -23 -16 9  o 47.835  4.5334  293.505    51.989   365.819    102.486  268.447    60.328   50.125  8.7445  45.079  5.6388  5.045940       10.40489 
1 1 1 -23 -16 10 o 11.781  5.2930  -10.8684   31.550   -10.6538   80.397   -10.9075   34.301   18.697  8.4200  12.321  5.5284  6.375645       10.07271 
1 1 1 -23 -16 11 o 34.264  5.4425  155.165    43.736   183.917    80.669   143.196    52.049   34.877  9.3440  32.143  6.8814  2.734341       11.60449 
1 1 1 -23 -16 12 o 45.846  5.9145  278.799    64.260   422.619    93.388   149.473    88.558   55.615  7.0812  31.105  10.181  24.51016       12.40134 
1 1 1 -23 -16 13 o 75.764  4.1678  725.710    76.325   813.487    126.767  675.796    95.594   77.722  6.7901  72.030  5.5114  5.692558       8.745365 
1 1 1 -23 -16 14 o 28.246  6.8677  110.696    46.612   65.199     77.579   136.399    58.311   23.544  9.2617  30.945  7.7755  -7.400822      12.09289 
1 1 1 -23 -16 15 o 25.365  7.4399  90.136     48.769   89.058     87.073   90.629     58.869   25.916  9.9159  25.379  8.3004  0.5366707      12.93141 
1 1 1 -23 -16 16 o 35.104  6.5737  167.529    53.935   147.785    93.888   177.254    65.892   31.021  10.491  35.353  7.8824  -4.332121      13.12260 
1 1 1 -23 -16 17 o 52.069  7.5216  373.909    92.274   239.542    164.949  435.110    111.322  36.514  13.723  55.283  8.5769  -18.76926      16.18252 
1 1 1 -23 -16 18 o 47.454  7.5132  311.129    83.628   281.219    137.488  328.694    105.360  40.488  12.627  47.122  9.5420  -6.634029      15.82673 
1 1 1 -23 -16 19 o 15.142  6.7638  -10.8569   50.734   207.694    112.797  -66.2832   56.804   35.780  11.472  13.107  6.2751  22.67234       13.07647 
1 1 1 -23 -16 20 o 15.768  6.8459  1.9264     48.636   37.128     84.620   -15.4388   59.434   22.057  9.2857  16.079  7.2404  5.978214       11.77483 
1 1 1 -23 -16 21 o 37.746  6.6566  193.386    58.738   175.589    99.488   202.909    72.776   33.438  10.780  37.714  8.1877  -4.275902      13.53687 
1 1 1 -23 -16 22 o 48.695  4.8991  305.198    57.099   279.082    75.841   339.371    86.756   45.138  7.1640  49.645  7.4306  -4.506668      10.32166 
1 1 1 -23 -16 23 o 31.944  6.8439  140.513    51.449   101.032    67.169   196.560    80.030   26.599  8.8744  36.460  9.0805  -9.860960      12.69686 
1 1 1 -23 -16 24 o 32.109  11.181  163.027    106.846  249.701    209.060  132.383    124.306  36.291  14.875  29.926  11.739  6.364880       18.94918 
1 1 1 -23 -16 25 o 24.195  10.236  52.249     103.658  51.434     205.637  52.526     120.023  28.790  13.162  25.140  10.835  3.649773       17.04746 
1 1 1 -23 -16 26 o 74.071  9.5528  807.880    167.687  0.0000     0.0000   807.880    167.687  ?       ?       74.071  9.5528  0.000000       9.552811 
1 1 1 -23 -16 27 f 65.516  4.5334  547.512    71.624   771.757    99.233   303.642    103.484  77.129  5.3352  44.793  9.7943  32.33539       11.15318 
1 1 1 -23 -16 28 o 16.942  7.0055  19.283     46.901   21.065     59.277   16.302     76.693   18.499  7.7790  19.901  8.6186  -1.401936      11.61005 
1 1 1 -23 -16 29 o 28.710  7.8410  118.555    56.164   151.816    70.437   60.490     93.065   31.953  8.8036  23.927  9.8791  8.025345       13.23249 
1 1 1 -23 -16 30 o 50.707  5.4901  337.467    66.469   340.486    85.154   332.759    106.338  49.577  7.2972  46.904  9.6651  2.672485       12.11042 
1 1 1 -23 -16 31 o 82.228  4.5022  862.966    89.487   824.224    120.379  910.819    133.786  78.443  6.3799  81.980  6.7868  -3.536812      9.314695 
1 1 1 -23 -16 32 o 36.202  8.6868  194.322    75.332   194.322    75.332   0.0000     0.0000   36.202  8.6868  ?       ?       0.000000       8.686813 
1 1 1 -23 -16 33 o 18.433  7.9212  15.162     63.793   15.162     63.793   0.0000     0.0000   18.433  7.9212  ?       ?       0.000000       7.921172 
1 1 1 -23 -16 34 o 47.523  7.9010  321.929    87.907   321.929    87.907   0.0000     0.0000   47.523  7.9010  ?       ?       0.000000       7.901008 
1 1 1 -23 -16 35 o 16.504  7.0969  9.1316     51.267   28.256     61.388   -34.9533   93.203   19.116  7.9686  18.670  8.6516  0.4459724      11.76217 
1 1 1 -23 -16 36 o 17.177  7.0721  22.560     47.524   88.300     63.579   -60.6742   71.540   24.774  8.6249  15.209  7.2132  9.564898       11.24366 
1 1 1 -23 -16 37 o 26.867  8.2438  107.017    58.875   218.516    77.956   -41.0157   89.824   38.208  8.6145  17.996  8.3911  20.21231       12.02580 
1 1 1 -23 -16 38 o 42.821  6.4731  252.252    65.157   277.058    83.683   214.060    103.835  43.404  8.2474  35.404  10.962  8.000420       13.71812 
1 1 1 -23 -16 39 o 69.094  4.8642  621.826    81.028   539.206    115.825  701.018    113.396  60.911  8.0329  71.360  6.6246  -10.44981      10.41212 
1 1 1 -23 -16 40 o 35.567  7.3265  182.783    61.124   197.825    88.485   169.054    84.535   34.610  9.9845  32.026  9.8868  2.583618       14.05129 
1 1 1 -23 -16 41 o 56.669  5.5653  431.217    75.536   339.388    108.683  517.023    105.058  45.492  10.109  60.031  7.3672  -14.53962      12.50836 
1 1 1 -23 -16 42 o 68.329  8.2127  699.131    133.433  766.838    279.206  679.091    151.903  48.553  17.931  64.562  10.022  -16.00932      20.54111 
1 1 1 -23 -16 43 o 34.715  10.890  221.159    102.091  -190.6025  258.942  296.945    111.090  23.030  11.484  40.547  11.008  -17.51719      15.90842 
1 1 1 -23 -16 44 o 35.185  12.090  257.014    124.731  0.0000     0.0000   257.014    124.731  ?       ?       35.185  12.090  0.000000       12.09009 
1 1 1 -23 -16 45 o 32.239  10.046  186.963    87.047   0.0000     0.0000   186.963    87.047   ?       ?       32.239  10.046  0.000000       10.04580 
1 1 1 -23 -16 46 o 38.282  9.8148  256.909    91.596   0.0000     0.0000   256.909    91.596   ?       ?       38.282  9.8148  0.000000       9.814818 
1 1 1 -23 -16 47 o 57.733  7.5604  508.191    103.363  1033.10    299.525  437.230    110.129  49.470  18.511  51.154  9.2115  -1.683998      20.67662 
1 1 1 -23 -16 48 o 18.002  7.5408  34.659     55.355   22.911     77.611   46.824     78.974   18.710  8.3609  20.177  8.7420  -1.467295      12.09656 
1 1 1 -23 -16 49 o 21.293  7.2946  70.489     45.394   63.665     48.440   119.703    130.083  20.448  7.4816  24.643  10.930  -4.194885      13.24497 
1 1 1 -23 -16 50 o 18.071  6.8396  45.187     41.144   48.734     46.667   32.804     87.188   18.684  7.2305  19.528  8.7836  -0.8431702     11.37679 
1 1 1 -23 -16 51 o 46.669  5.7567  310.265    63.806   172.902    78.563   576.440    109.362  30.263  9.5610  60.631  7.6008  -30.36795      12.21409 
1 1 1 -23 -16 52 o 20.545  7.4556  65.526     47.963   64.486     51.369   72.602     133.953  20.436  7.6623  22.524  10.414  -2.087824      12.92935 
1 1 1 -23 -16 53 o 19.120  7.1754  53.329     45.067   65.049     47.925   -36.2599   132.503  20.506  7.4510  19.260  9.3111  1.245974       11.92531 
1 1 1 -23 -16 54 o 26.249  8.4952  119.656    61.739   47.180     76.352   256.555    104.936  19.832  8.5940  34.832  11.055  -15.00000      14.00224 
1 1 1 -23 -16 55 o 18.315  6.7670  47.844     39.777   61.922     44.598   -6.9145    87.956   20.123  7.2041  17.720  8.2761  2.403547       10.97237 
1 1 1 -23 -16 56 o 18.581  8.8833  -20.7847   112.982  77.587     257.691  -44.1950   125.709  23.608  11.720  18.572  9.0012  5.036190       14.77810 
1 1 1 -23 -16 57 o 21.717  9.9151  72.719     116.225  355.172    308.151  25.875     125.493  26.343  13.032  20.278  9.5986  6.065580       16.18543 
1 1 1 -23 -16 58 o 19.758  8.9935  46.958     94.715   -243.1017  358.199  68.763     98.211   ?       ?       20.856  9.3565  0.000000       9.356472 
1 1 1 -23 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -15 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -15 4  f 62.369  5.2883  507.543    79.275   449.335    134.999  538.181    97.941   53.197  10.827  63.155  6.4833  -9.958118      12.61968 
1 1 1 -23 -15 5  o 55.722  4.0261  393.406    54.067   429.019    95.466   376.590    65.603   55.722  7.2314  53.844  5.0814  1.877129       8.838220 
1 1 1 -23 -15 6  o 30.112  5.2787  120.115    37.163   242.956    77.084   82.917     42.418   41.239  7.9920  24.378  6.8742  16.86176       10.54166 
1 1 1 -23 -15 7  o 87.213  5.9858  1004.65    125.901  1185.90    231.562  928.581    150.010  86.521  11.300  81.781  7.6485  4.739494       13.64520 
1 1 1 -23 -15 8  f 52.289  6.6287  369.533    82.213   310.984    157.495  391.462    96.388   40.911  13.586  52.906  7.7371  -11.99549      15.63474 
1 1 1 -23 -15 9  o 17.384  6.2782  35.694     33.950   75.057     75.282   25.644     38.038   24.197  9.2293  16.536  6.4916  7.661146       11.28360 
1 1 1 -23 -15 10 o 59.763  4.1439  451.943    59.720   356.761    101.520  502.310    73.850   49.734  8.7313  62.511  4.9083  -12.77779      10.01634 
1 1 1 -23 -15 11 o 66.354  5.1641  568.411    82.488   576.352    117.723  560.752    115.616  64.584  7.6617  63.730  7.6283  0.8537941      10.81165 
1 1 1 -23 -15 12 o 82.729  5.0214  878.508    100.320  821.547    137.182  943.985    147.081  77.600  7.3743  83.230  7.3589  -5.629761      10.41800 
1 1 1 -23 -15 13 o 9.2403  4.5716  -81.5980   37.953   81.229     77.173   -133.5432  43.589   24.967  9.3857  8.7296  4.4014  16.23705       10.36645 
1 1 1 -23 -15 14 o 31.882  7.0272  140.376    52.897   134.590    99.817   142.635    62.376   29.992  10.773  31.590  8.0996  -1.597925      13.47833 
1 1 1 -23 -15 15 o 12.829  5.8818  -23.0411   41.479   -70.6376   77.894   -4.2026    49.005   15.865  7.5251  15.381  6.7703  0.4842501      10.12243 
1 1 1 -23 -15 16 o 17.121  6.7560  26.585     41.401   1.8514     71.871   38.868     50.648   18.698  8.2154  19.374  7.5227  -0.6760063     11.13926 
1 1 1 -23 -15 17 o 26.186  8.9563  95.728     68.430   -76.9506   118.912  181.226    83.673   19.949  9.4127  34.819  9.5959  -14.87017      13.44176 
1 1 1 -23 -15 18 o 62.091  6.7248  515.188    99.696   448.572    159.544  557.862    127.696  51.994  12.745  62.906  8.5906  -10.91190      15.36986 
1 1 1 -23 -15 19 o 76.949  4.7702  754.230    88.625   865.437    181.928  719.628    101.481  76.702  10.014  74.442  5.6607  2.259644       11.50346 
1 1 1 -23 -15 20 o 60.118  4.1709  456.026    60.465   419.153    83.680   496.312    87.467   56.324  6.2272  61.559  5.9292  -5.235210      8.598414 
1 1 1 -23 -15 21 o 30.912  6.1684  128.513    44.644   133.626    58.736   121.519    68.701   30.734  7.8486  28.964  8.9081  1.770309       11.87247 
1 1 1 -23 -15 22 o 16.228  6.6676  17.144     42.132   -1.6568    54.398   45.328     66.604   16.338  7.1637  21.321  8.5193  -4.982666      11.13088 
1 1 1 -23 -15 23 o 17.223  6.8669  25.675     43.182   19.582     55.526   34.999     68.688   18.098  7.5643  20.649  8.5021  -2.551418      11.38000 
1 1 1 -23 -15 24 f 29.948  11.041  133.532    105.786  258.134    208.456  90.313     122.770  37.075  14.980  27.514  11.352  9.561680       18.79583 
1 1 1 -23 -15 25 o 21.380  9.5226  3.0798     99.783   60.119     189.838  -18.6949   117.293  28.752  12.944  21.838  9.9666  6.914368       16.33671 
1 1 1 -23 -15 26 o 89.141  7.4491  1085.03    159.642  909.044    279.240  1170.48    194.576  66.658  17.162  90.376  8.9925  -23.71836      19.37538 
1 1 1 -23 -15 27 o 66.404  4.8079  564.739    76.942   528.685    101.949  612.453    117.280  62.616  6.8205  66.915  7.3441  -4.298790      10.02274 
1 1 1 -23 -15 28 o 64.655  4.8370  536.308    75.333   484.882    99.396   605.721    115.477  59.752  6.9877  66.560  7.2683  -6.808311      10.08250 
1 1 1 -23 -15 29 o 11.624  5.5708  -55.3892   45.042   -21.3147   53.269   -140.8564  84.365   14.800  6.7398  14.313  7.0298  0.4874554      9.738765 
1 1 1 -23 -15 30 o 46.869  5.9044  291.434    65.656   223.229    84.364   396.193    104.554  38.699  9.1318  52.558  8.4878  -13.85938      12.46724 
1 1 1 -23 -15 31 o 82.629  6.3103  910.158    125.560  910.158    125.560  0.0000     0.0000   82.629  6.3103  ?       ?       0.000000       6.310304 
1 1 1 -23 -15 32 o 18.335  7.8912  13.410     63.493   13.410     63.493   0.0000     0.0000   18.335  7.8912  ?       ?       0.000000       7.891222 
1 1 1 -23 -15 33 o 58.879  6.8085  472.111    95.474   472.111    95.474   0.0000     0.0000   58.879  6.8085  ?       ?       0.000000       6.808458 
1 1 1 -23 -15 34 o 93.906  4.8311  1134.27    109.706  888.274    159.307  1356.15    151.299  78.608  8.4869  100.867 6.2121  -22.25929      10.51751 
1 1 1 -23 -15 35 o 49.868  4.9156  322.638    58.706   395.058    84.897   256.276    81.268   53.871  6.6351  42.026  8.2641  11.84480       10.59814 
1 1 1 -23 -15 36 o 37.353  7.3218  197.080    63.987   209.100    83.959   180.424    98.831   36.879  9.3652  33.109  10.751  3.770248       14.25816 
1 1 1 -23 -15 37 o 44.656  6.6249  273.883    69.606   295.441    90.795   243.150    108.405  44.634  8.6962  38.015  11.076  6.618690       14.08181 
1 1 1 -23 -15 38 o 26.133  8.0860  100.552    56.508   112.389    76.774   86.559     83.475   27.129  9.4759  24.944  9.6654  2.185516       13.53563 
1 1 1 -23 -15 39 o 42.876  6.5880  254.235    66.345   240.309    93.565   268.318    94.088   38.695  9.9192  41.370  9.5643  -2.675159      13.77919 
1 1 1 -23 -15 40 o 25.064  8.4087  93.621     60.307   42.183     89.878   135.743    81.334   21.915  9.4094  29.005  9.7651  -7.089649      13.56070 
1 1 1 -23 -15 41 o 54.474  5.5660  397.865    72.536   408.204    103.457  387.868    101.728  52.182  8.4607  50.726  8.5704  1.456158       12.04306 
1 1 1 -23 -15 42 o 62.765  8.9836  608.491    132.912  428.288    285.686  658.270    150.152  35.812  16.019  63.684  10.051  -27.87180      18.91120 
1 1 1 -23 -15 43 o 85.953  9.4652  1179.26    194.132  0.0000     0.0000   1179.26    194.132  ?       ?       85.953  9.4652  0.000000       9.465182 
1 1 1 -23 -15 44 o 23.050  10.139  59.842     109.731  0.0000     0.0000   59.842     109.731  ?       ?       23.050  10.139  0.000000       10.13881 
1 1 1 -23 -15 45 o 22.886  9.4537  74.909     85.282   0.0000     0.0000   74.909     85.282   ?       ?       22.886  9.4537  0.000000       9.453732 
1 1 1 -23 -15 46 o 19.060  8.4830  21.130     79.027   48.258     258.378  18.330     83.004   25.309  12.405  19.181  8.6036  6.127779       15.09646 
1 1 1 -23 -15 47 o 32.985  8.1673  174.951    65.021   193.167    90.243   155.285    93.766   31.970  10.263  28.339  10.403  3.631351       14.61323 
1 1 1 -23 -15 48 o 26.300  7.3885  108.764    49.098   48.070     58.889   247.152    88.922   19.371  7.9120  37.099  9.7504  -17.72805      12.55666 
1 1 1 -23 -15 49 o 16.582  6.7711  29.600     43.116   37.053     48.901   3.5750     91.380   17.727  7.2217  18.573  8.5924  -0.8456287     11.22413 
1 1 1 -23 -15 50 o 31.404  7.1193  152.589    52.996   128.541    61.719   220.086    103.400  27.356  8.4483  32.045  11.008  -4.688349      13.87628 
1 1 1 -23 -15 51 o 22.637  7.4702  82.081     47.642   75.079     55.741   101.061    91.774   21.623  8.0064  23.605  9.7833  -1.982088      12.64178 
1 1 1 -23 -15 52 o 15.736  6.5895  22.422     42.248   32.154     44.552   -64.4389   133.103  16.868  6.8849  18.658  9.0925  -1.789511      11.40502 
1 1 1 -23 -15 53 o 14.351  6.3640  3.4024     44.091   -11.0545   46.694   122.337    133.928  13.687  6.2624  24.609  10.991  -10.92236      12.64995 
1 1 1 -23 -15 54 o 17.837  6.6956  43.651     39.246   68.724     43.497   -66.1369   91.020   21.077  7.1410  15.955  7.7144  5.121309       10.51216 
1 1 1 -23 -15 55 o 16.105  6.6390  26.590     41.943   8.0331     47.807   88.624     87.409   15.113  6.6680  22.761  9.5002  -7.648527      11.60669 
1 1 1 -23 -15 56 o 24.001  10.140  112.496    101.469  -12.0316   372.568  122.473    105.456  23.545  11.972  24.533  10.349  -0.9886799     15.82482 
1 1 1 -23 -15 57 o 15.488  7.5602  -78.6712   93.124   -423.7630  363.700  -54.4596   96.336   ?       ?       16.414  7.9361  0.000000       7.936135 
1 1 1 -23 -15 58 f 22.933  10.124  110.245    110.372  313.239    350.491  87.899     116.289  24.591  12.409  21.927  9.9748  2.664549       15.92100 
1 1 1 -23 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -14 3  o 34.026  4.7432  150.459    38.096   0.0000     0.0000   150.459    38.096   ?       ?       34.026  4.7432  0.000000       4.743176 
1 1 1 -23 -14 4  o 16.492  5.4405  34.503     25.271   4.6800     58.347   41.389     28.037   17.142  7.4702  17.831  5.7200  -0.6881542     9.408609 
1 1 1 -23 -14 5  o 32.506  5.0232  138.338    38.342   258.104    74.692   95.487     44.677   43.028  7.4222  26.137  6.9316  16.89185       10.15559 
1 1 1 -23 -14 6  o 48.709  4.2388  301.746    49.598   307.315    92.225   299.480    58.830   46.159  8.5491  48.024  5.1280  -1.864990      9.969144 
1 1 1 -23 -14 7  o 18.353  7.4963  27.021     52.864   194.351    133.615  -4.0334    57.561   33.926  12.424  16.508  7.2984  17.41785       14.40887 
1 1 1 -23 -14 8  o 51.609  4.7233  341.516    58.492   465.624    155.716  321.127    63.114   53.004  12.339  49.682  5.3181  3.321377       13.43598 
1 1 1 -23 -14 9  o 71.247  3.9554  638.554    68.110   483.894    111.966  729.403    85.813   58.824  8.0563  75.616  4.7004  -16.79218      9.327219 
1 1 1 -23 -14 10 o 20.444  6.7776  54.713     39.201   20.192     61.032   78.955     51.146   18.733  7.8860  23.959  7.7299  -5.226141      11.04266 
1 1 1 -23 -14 11 o 56.898  5.6707  422.416    77.245   408.505    111.581  435.219    107.041  53.355  8.9349  55.803  8.1455  -2.448219      12.09056 
1 1 1 -23 -14 12 o 71.614  4.3506  648.501    75.240   734.234    132.173  607.400    91.516   73.381  7.5300  68.432  5.5596  4.949142       9.360015 
1 1 1 -23 -14 13 o 89.870  4.1896  1014.70    91.360   1077.45    153.073  979.984    113.865  89.579  7.1007  87.191  5.4088  2.388222       8.926057 
1 1 1 -23 -14 14 o 66.705  4.3497  562.309    70.017   609.495    118.769  537.177    86.681   67.007  7.4301  64.353  5.6073  2.653725       9.308500 
1 1 1 -23 -14 15 o 29.763  6.9070  121.553    48.918   79.862     86.730   141.004    59.241   25.464  9.8562  31.690  7.7651  -6.226206      12.54760 
1 1 1 -23 -14 16 o 20.378  7.9146  43.521     56.074   111.371    79.253   -24.4958   79.350   28.004  9.6363  18.153  8.2508  9.850866       12.68601 
1 1 1 -23 -14 17 o 31.113  10.212  143.946    89.069   0.0000     0.0000   143.946    89.069   ?       ?       31.113  10.212  0.000000       10.21151 
1 1 1 -23 -14 18 o 64.191  5.1480  528.397    79.507   495.282    101.336  581.427    128.234  60.786  6.9984  64.656  8.3703  -3.870411      10.91053 
1 1 1 -23 -14 19 f 58.150  4.1650  425.966    58.377   373.342    81.746   480.733    83.393   53.056  6.4849  60.832  5.7169  -7.775803      8.645038 
1 1 1 -23 -14 20 o 38.743  5.0933  194.007    46.720   219.909    63.452   163.336    69.046   40.445  6.7003  33.816  8.4413  6.628601       10.77725 
1 1 1 -23 -14 21 f 18.004  6.7222  35.593     39.456   30.004     51.620   43.446     61.192   18.657  7.4840  20.801  8.2119  -2.144594      11.11061 
1 1 1 -23 -14 22 o 43.593  5.6781  248.458    58.635   194.927    76.171   326.308    91.858   36.838  8.6666  48.400  8.1087  -11.56181      11.86842 
1 1 1 -23 -14 23 o 69.706  4.5590  616.232    76.684   639.758    102.820  586.745    115.112  69.835  6.1300  65.823  7.3320  4.011368       9.556894 
1 1 1 -23 -14 24 o 89.786  9.0402  1145.54    194.269  0.0000     0.0000   1145.54    194.269  ?       ?       89.786  9.0402  0.000000       9.040237 
1 1 1 -23 -14 25 o 67.659  8.4222  641.603    135.273  664.792    251.055  632.116    160.577  56.917  16.930  64.802  10.577  -7.885769      19.96224 
1 1 1 -23 -14 26 o 67.660  8.4914  644.374    136.332  892.974    254.490  544.314    161.454  69.739  15.446  58.613  11.761  11.12619       19.41453 
1 1 1 -23 -14 27 o 23.768  7.7955  77.325     51.912   107.284    63.929   19.330     88.946   27.350  8.6230  21.338  9.2611  6.012085       12.65399 
1 1 1 -23 -14 28 o 82.255  4.4719  858.747    88.917   841.477    121.263  878.831    130.769  79.701  6.3224  81.033  6.7113  -1.332291      9.220344 
1 1 1 -23 -14 29 o 57.042  5.2576  421.802    71.950   390.408    93.016   468.569    113.527  53.263  7.3969  57.500  8.3838  -4.236061      11.18038 
1 1 1 -23 -14 30 o 16.055  7.1740  -10.0915   57.131   -10.0915   57.131   0.0000     0.0000   16.055  7.1740  ?       ?       0.000000       7.174023 
1 1 1 -23 -14 31 o 52.002  7.4867  374.899    91.743   374.899    91.743   0.0000     0.0000   52.002  7.4867  ?       ?       0.000000       7.486710 
1 1 1 -23 -14 32 o 18.720  7.9702  18.254     63.515   18.254     63.515   0.0000     0.0000   18.720  7.9702  ?       ?       0.000000       7.970189 
1 1 1 -23 -14 33 o 25.191  8.1081  90.298     56.300   110.251    68.398   48.376     99.144   27.385  8.9465  23.503  9.9810  3.881613       13.40377 
1 1 1 -23 -14 34 o 56.075  4.7694  404.911    64.276   410.168    93.484   400.197    88.519   54.480  7.2521  54.112  6.8989  0.3681602      10.00938 
1 1 1 -23 -14 35 o 83.105  4.4195  880.501    88.797   949.685    131.776  822.957    120.180  83.993  6.5169  78.326  6.3790  5.667152       9.119324 
1 1 1 -23 -14 36 o 11.084  5.4151  -79.6002   48.069   -33.5086   76.872   -109.1943  61.597   17.086  7.8961  12.177  5.9863  4.908139       9.908834 
1 1 1 -23 -14 37 o 20.198  8.0969  42.375     60.378   115.051    90.149   -16.7450   81.308   27.570  10.187  18.317  8.3357  9.252686       13.16292 
1 1 1 -23 -14 38 o 8.1554  4.1152  -119.3267  38.546   -175.7270  71.611   -96.3203   45.736   11.777  5.8978  10.080  4.9925  1.697081       7.727191 
1 1 1 -23 -14 39 o 16.165  7.1332  -0.2212    54.727   69.416     79.548   -62.8004   75.409   23.402  9.3235  15.532  7.3778  7.870361       11.88942 
1 1 1 -23 -14 40 o 13.749  6.3712  -28.7368   50.539   -48.9511   77.683   -13.9026   66.547   16.286  7.6611  16.688  7.5739  -0.4022121     10.77297 
1 1 1 -23 -14 41 o 19.261  7.7692  38.931     55.967   95.203     82.736   -8.5398    75.991   25.256  9.6653  17.895  8.1107  7.360239       12.61746 
1 1 1 -23 -14 42 o 20.689  9.4275  4.4062     104.425  0.0000     0.0000   4.4062     104.425  ?       ?       20.689  9.4275  0.000000       9.427464 
1 1 1 -23 -14 43 o 35.541  12.040  249.939    123.650  0.0000     0.0000   249.939    123.650  ?       ?       35.541  12.040  0.000000       12.03992 
1 1 1 -23 -14 44 f 15.041  7.1553  -54.2723   71.437   0.0000     0.0000   -54.2723   71.437   ?       ?       15.041  7.1553  0.000000       7.155313 
1 1 1 -23 -14 45 f 23.634  9.3007  86.106     78.260   436.215    261.248  51.591     82.026   34.688  15.432  21.273  9.0573  13.41464       17.89339 
1 1 1 -23 -14 46 o 31.396  8.2274  157.553    63.433   -23.7205   92.182   320.595    87.424   18.000  8.4281  45.300  8.2579  -27.30053      11.79943 
1 1 1 -23 -14 47 o 17.364  6.6893  37.529     39.803   82.916     45.887   -100.3841  79.989   23.210  7.3039  14.180  6.9400  9.029598       10.07525 
1 1 1 -23 -14 48 o 21.693  7.4649  72.547     47.559   24.381     56.177   194.418    89.359   17.324  7.4385  31.927  10.209  -14.60296      12.63115 
1 1 1 -23 -14 49 o 13.406  5.9572  -0.5211    38.823   18.122     42.823   -86.5592   91.994   15.490  6.5679  15.540  7.5701  -0.4999352E-01 10.02212 
1 1 1 -23 -14 50 o 27.390  7.6389  120.995    52.682   78.281     62.356   227.520    98.474   22.011  8.3986  33.415  10.720  -11.40419      13.61811 
1 1 1 -23 -14 51 o 21.525  7.5958  73.137     49.410   76.775     52.742   47.041     141.250  21.893  7.8346  22.056  10.361  -0.1633186     12.98962 
1 1 1 -23 -14 52 o 8.5885  4.2550  -67.8394   33.300   -67.8730   34.455   -67.3631   129.735  8.8081  4.3574  18.483  9.0007  -9.675364      10.00002 
1 1 1 -23 -14 53 o 16.506  6.5991  31.577     39.987   63.065     45.239   -80.9237   85.510   20.367  7.2594  15.061  7.3283  5.306171       10.31513 
1 1 1 -23 -14 54 o 20.689  7.1592  65.491     43.774   63.262     50.485   72.245     87.867   20.428  7.6085  21.879  9.3461  -1.451002      12.05146 
1 1 1 -23 -14 55 o 18.865  8.5069  23.899     82.381   2.9356     332.121  25.273     85.038   23.865  12.047  19.083  8.6206  4.782240       14.81374 
1 1 1 -23 -14 56 o 27.449  11.129  175.439    115.475  495.354    348.642  136.020    122.382  28.378  14.006  25.053  10.868  3.325315       17.72835 
1 1 1 -23 -14 57 o 26.941  10.705  166.210    104.629  -69.2960   378.755  185.666    108.865  ?       ?       27.991  10.984  0.000000       10.98412 
1 1 1 -23 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -13 3  f 15.660  6.0743  23.624     32.996   0.0000     0.0000   23.624     32.996   ?       ?       15.660  6.0743  0.000000       6.074309 
1 1 1 -23 -13 4  o 50.814  3.8854  325.811    47.543   390.302    88.717   299.829    56.311   53.484  7.0046  48.204  4.8818  5.280319       8.537953 
1 1 1 -23 -13 5  o 48.128  4.3793  295.231    50.581   337.881    109.603  283.689    57.015   47.336  9.8627  46.773  5.1067  0.5628700      11.10638 
1 1 1 -23 -13 6  o 41.661  6.5383  234.265    63.918   181.213    89.309   289.976    91.519   34.297  10.070  44.795  8.7339  -10.49773      13.33027 
1 1 1 -23 -13 7  o 74.667  6.0194  732.793    108.129  987.090    207.249  637.680    126.747  80.262  10.926  67.864  7.8417  12.39847       13.44857 
1 1 1 -23 -13 8  o 44.488  4.2607  251.302    45.431   222.629    75.953   267.274    56.689   39.623  8.1715  45.390  5.2437  -5.767300      9.709306 
1 1 1 -23 -13 9  o 33.933  5.1787  150.165    41.288   84.622     69.099   186.560    51.491   25.071  8.9680  37.566  5.8386  -12.49461      10.70116 
1 1 1 -23 -13 10 o 12.353  5.6955  -25.3633   39.641   -135.4351  81.530   8.7141     45.364   14.219  6.9692  15.911  6.7539  -1.692045      9.704918 
1 1 1 -23 -13 11 o 67.619  4.4541  578.676    72.669   540.768    128.929  596.326    87.975   61.808  8.8495  68.015  5.3746  -6.207012      10.35371 
1 1 1 -23 -13 12 o 87.157  4.1790  952.881    88.377   878.895    148.332  993.598    110.040  80.363  7.7013  88.109  5.1698  -7.745461      9.275656 
1 1 1 -23 -13 13 o 49.854  4.8527  317.640    57.957   194.446    102.053  376.289    70.414   35.537  10.845  53.951  5.4539  -18.41399      12.13891 
1 1 1 -23 -13 14 o 34.309  6.1489  156.627    49.308   94.035     89.438   183.958    59.101   26.817  10.100  36.882  6.8565  -10.06534      12.20706 
1 1 1 -23 -13 15 o 18.397  6.4438  40.950     35.514   30.788     48.525   52.671     52.116   18.449  7.3034  21.070  7.7526  -2.621529      10.65090 
1 1 1 -23 -13 16 o 68.102  5.0781  592.309    83.308   585.586    107.340  602.492    132.113  66.471  6.7488  65.918  8.4549  0.5535126      10.81812 
1 1 1 -23 -13 17 o 37.003  6.6795  183.938    57.765   185.220    71.804   181.586    97.253   36.225  8.3414  34.641  10.590  1.584011       13.48033 
1 1 1 -23 -13 18 o 33.744  7.1137  155.471    56.410   186.471    67.157   81.189     103.956  36.667  7.7888  26.569  10.634  10.09813       13.18110 
1 1 1 -23 -13 19 o 41.775  5.0998  224.626    50.621   237.973    67.997   208.032    75.817   42.073  6.9001  38.429  8.3680  3.643093       10.84597 
1 1 1 -23 -13 20 o 75.425  4.0167  712.645    73.246   731.551    100.669  691.377    106.772  75.365  5.5439  72.818  6.0992  2.547653       8.242303 
1 1 1 -23 -13 21 o 21.496  7.1991  59.988     44.203   107.362    57.380   -9.1697    69.327   27.685  8.0558  17.864  7.9482  9.820986       11.31679 
1 1 1 -23 -13 22 o 42.001  5.7377  230.622    56.944   247.882    77.242   210.075    84.279   42.363  7.8021  38.020  9.2288  4.342602       12.08481 
1 1 1 -23 -13 23 o 51.156  5.2041  336.787    63.696   376.206    88.888   295.181    91.321   52.853  7.1117  45.756  8.5394  7.096603       11.11298 
1 1 1 -23 -13 24 f 88.075  8.2049  1069.79    173.328  0.0000     0.0000   1069.79    173.328  ?       ?       88.075  8.2049  0.000000       8.204944 
1 1 1 -23 -13 25 o 65.107  8.1220  586.630    125.518  294.863    247.523  687.628    145.630  38.864  16.084  69.832  8.7895  -30.96783      18.32893 
1 1 1 -23 -13 26 f 30.097  10.007  134.055    85.427   -330.7075  206.287  230.258    93.853   21.091  10.473  39.184  9.8751  -18.09269      14.39475 
1 1 1 -23 -13 27 o 32.040  7.8789  145.267    60.825   108.002    77.468   205.163    98.215   27.529  9.5241  36.412  10.523  -8.883539      14.19331 
1 1 1 -23 -13 28 o 52.323  5.8281  359.288    72.735   295.803    96.687   442.053    110.396  45.041  9.1590  56.008  8.3811  -10.96703      12.41491 
1 1 1 -23 -13 29 o 74.284  6.9727  744.029    124.206  744.029    124.206  0.0000     0.0000   74.284  6.9727  ?       ?       0.000000       6.972666 
1 1 1 -23 -13 30 o 45.272  9.6658  306.433    102.947  306.433    102.947  0.0000     0.0000   45.272  9.6658  ?       ?       0.000000       9.665774 
1 1 1 -23 -13 31 o 56.094  8.1683  443.896    107.912  443.896    107.912  0.0000     0.0000   56.094  8.1683  ?       ?       0.000000       8.168324 
1 1 1 -23 -13 32 o 63.883  5.4234  531.538    83.271   437.741    114.027  638.722    121.893  54.988  8.8462  68.029  7.5097  -13.04087      11.60395 
1 1 1 -23 -13 33 o 31.200  7.6574  138.792    57.539   157.019    99.375   129.600    70.572   31.488  10.793  29.499  9.0213  1.988855       14.06670 
1 1 1 -23 -13 34 o 36.394  7.0401  183.809    59.921   281.597    95.490   120.290    76.959   43.354  9.3521  28.355  9.4991  14.99978       13.33022 
1 1 1 -23 -13 35 o 79.766  4.5035  812.082    86.806   904.466    131.421  740.583    115.616  81.843  6.6761  74.236  6.4837  7.606857       9.306316 
1 1 1 -23 -13 36 o 25.049  8.8369  88.986     66.872   171.039    100.391  23.541     89.658   32.413  10.849  21.302  9.2719  11.11157       14.27146 
1 1 1 -23 -13 37 o 57.503  6.6479  450.280    91.045   555.157    126.038  335.836    131.661  61.727  8.6529  44.163  11.982  17.56393       14.77979 
1 1 1 -23 -13 38 o 17.905  7.5365  20.503     55.727   24.956     80.464   16.399     77.253   20.515  8.8562  19.715  8.5934  0.7996883      12.34013 
1 1 1 -23 -13 39 o 40.286  8.5244  241.414    80.726   307.596    265.436  234.669    84.740   35.371  15.654  39.193  9.0875  -3.822742      18.10021 
1 1 1 -23 -13 40 o 21.737  8.1740  61.943     58.542   39.451     90.962   77.846     76.488   21.931  9.4420  23.885  9.2530  -1.954229      13.21999 
1 1 1 -23 -13 41 o 27.078  8.4586  111.775    61.670   118.144    94.119   106.983    81.636   27.242  10.337  26.300  9.6989  0.9425259      14.17434 
1 1 1 -23 -13 42 o 41.555  12.046  322.766    128.512  0.0000     0.0000   322.766    128.512  ?       ?       41.555  12.046  0.000000       12.04564 
1 1 1 -23 -13 43 o 54.516  10.671  502.736    136.095  0.0000     0.0000   502.736    136.095  ?       ?       54.516  10.671  0.000000       10.67058 
1 1 1 -23 -13 44 o 26.824  9.5645  119.772    78.536   171.255    257.285  114.482    82.473   28.855  13.683  26.275  9.7368  2.579248       16.79406 
1 1 1 -23 -13 45 o 18.262  7.6728  30.362     57.593   71.218     81.589   -10.2139   81.309   22.628  9.2856  17.857  8.2048  4.771370       12.39119 
1 1 1 -23 -13 46 o 29.146  7.6043  131.251    54.344   25.240     72.840   264.341    81.615   18.940  8.2975  40.778  8.5231  -21.83777      11.89501 
1 1 1 -23 -13 47 o 26.290  7.8263  109.822    53.635   106.269    74.906   113.560    76.835   24.965  9.2738  25.576  9.4128  -0.6107025     13.21379 
1 1 1 -23 -13 48 o 45.698  5.4761  289.421    59.510   280.799    83.026   298.531    85.343   41.600  8.5121  42.965  8.4875  -1.364059      12.02052 
1 1 1 -23 -13 49 o 42.405  6.0444  257.304    60.432   283.128    82.870   227.973    88.318   41.615  8.4945  35.153  9.9213  6.462048       13.06096 
1 1 1 -23 -13 50 o 10.911  5.3314  -67.8911   46.632   -106.0945  59.808   -8.6561    74.473   11.532  5.7115  16.801  7.7673  -5.268887      9.641164 
1 1 1 -23 -13 51 o 34.738  8.3549  199.962    69.561   120.192    78.403   494.995    150.780  25.503  9.4850  46.587  12.899  -21.08426      16.01054 
1 1 1 -23 -13 52 o 14.365  6.4383  -0.8173    46.382   -2.2329    49.144   10.724     140.321  14.605  6.5796  21.045  10.016  -6.439355      11.98396 
1 1 1 -23 -13 53 o 9.2046  4.5654  -78.9214   38.746   -90.3915   43.769   -37.3736   83.301   9.6748  4.8077  16.352  7.7636  -6.677270      9.131716 
1 1 1 -23 -13 54 o 12.880  5.7629  -3.5548    36.995   2.8162     41.187   -30.1646   84.174   13.983  6.1782  16.693  7.8895  -2.710594      10.02073 
1 1 1 -23 -13 55 o 24.209  10.424  110.756    110.907  160.275    370.602  105.885    116.234  25.426  12.822  23.961  10.490  1.465494       16.56574 
1 1 1 -23 -13 56 o 19.247  9.0205  6.6212     106.015  159.913    373.397  -6.8193    110.565  24.937  12.607  19.006  9.0006  5.930319       15.49025 
1 1 1 -23 -13 57 o 20.178  9.2724  40.396     103.887  -204.0330  344.020  64.922     108.975  ?       ?       21.348  9.6901  0.000000       9.690116 
1 1 1 -23 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -12 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -12 3  o 71.763  5.1572  664.986    89.201   649.538    146.507  674.086    112.445  66.676  9.3098  70.911  6.6115  -4.235283      11.41857 
1 1 1 -23 -12 4  o 29.412  4.8629  112.843    33.491   205.639    68.758   83.979     38.348   38.278  7.6702  24.772  6.3502  13.50595       9.957773 
1 1 1 -23 -12 5  o 49.544  4.0520  310.136    48.284   406.746    91.297   272.621    56.892   54.754  7.0346  45.842  5.2071  8.912392       8.752134 
1 1 1 -23 -12 6  o 56.877  6.8065  434.834    92.068   614.842    173.473  364.247    108.630  62.143  11.939  49.998  9.2964  12.14450       15.13117 
1 1 1 -23 -12 7  o 16.167  6.9127  7.2248     48.152   -155.6196  96.965   60.527     55.475   15.472  7.5868  22.016  8.0139  -6.543360      11.03546 
1 1 1 -23 -12 8  o 17.399  6.1192  36.296     32.042   117.332    52.869   -10.7509   40.284   28.988  7.4700  13.513  6.0322  15.47442       9.601451 
1 1 1 -23 -12 9  o 22.732  6.3033  69.745     35.979   51.825     58.794   80.474     45.492   21.402  8.1579  24.244  7.2055  -2.842033      10.88438 
1 1 1 -23 -12 10 o 31.788  6.2936  135.565    46.825   190.354    87.658   113.688    55.391   35.772  9.8066  28.492  7.7890  7.279255       12.52354 
1 1 1 -23 -12 11 o 40.558  5.4797  213.862    52.546   215.878    94.358   212.956    63.263   38.012  10.070  39.792  6.7963  -1.779362      12.14873 
1 1 1 -23 -12 12 o 33.137  6.8620  148.976    53.358   197.193    115.604  135.924    60.147   35.530  11.632  31.145  7.9363  4.385363       14.08166 
1 1 1 -23 -12 13 o 64.171  3.9479  515.441    61.173   509.707    88.013   520.798    85.083   62.681  5.8548  63.554  5.5737  -0.8737144     8.083605 
1 1 1 -23 -12 14 o 39.010  4.7797  194.621    44.296   195.937    62.647   193.305    62.640   38.072  7.0409  37.780  7.0937  0.2912636      9.994758 
1 1 1 -23 -12 15 o 36.161  5.1016  168.688    43.518   124.225    60.993   214.796    62.111   29.751  8.1901  40.149  6.6055  -10.39768      10.52189 
1 1 1 -23 -12 16 f 56.744  5.7222  416.486    77.710   357.584    93.636   546.836    139.295  51.244  7.7748  61.950  9.5757  -10.70566      12.33455 
1 1 1 -23 -12 17 o 14.079  6.3304  -15.5807   45.237   -10.2563   49.684   -41.3923   109.393  15.171  6.7403  20.661  9.5020  -5.490348      11.64981 
1 1 1 -23 -12 18 o 11.973  5.7359  -60.1356   47.646   -69.8257   52.566   -15.5104   112.805  12.387  5.9576  22.051  9.9480  -9.664212      11.59549 
1 1 1 -23 -12 19 o 48.696  4.8083  301.879    56.071   315.973    76.151   285.190    82.866   48.866  6.5906  45.689  7.7519  3.177753       10.17488 
1 1 1 -23 -12 20 o 29.808  6.5721  119.855    46.255   125.281    60.107   111.976    72.433   29.907  8.0882  28.230  9.2059  1.677198       12.25430 
1 1 1 -23 -12 21 o 35.982  6.4794  172.851    54.489   137.206    72.552   218.970    82.526   30.920  9.0760  39.197  8.8825  -8.276793      12.69932 
1 1 1 -23 -12 22 o 64.764  4.5613  530.331    71.220   607.931    99.131   447.545    102.389  68.352  6.0393  57.532  7.5142  10.82001       9.640305 
1 1 1 -23 -12 23 o 47.781  10.147  336.895    114.011  0.0000     0.0000   336.895    114.011  ?       ?       47.781  10.147  0.000000       10.14731 
1 1 1 -23 -12 24 o 37.874  10.266  215.867    96.709   487.207    220.560  151.285    107.604  50.261  16.035  31.795  11.210  18.46631       19.56501 
1 1 1 -23 -12 25 o 44.966  9.5518  294.937    100.998  174.202    227.657  324.523    112.695  34.476  14.890  46.650  10.237  -12.17418      18.06949 
1 1 1 -23 -12 26 o 27.816  8.3202  109.515    60.512   132.375    88.549   89.485     82.886   30.022  10.189  26.110  9.7442  3.912201       14.09815 
1 1 1 -23 -12 27 o 18.000  7.6278  14.618     57.712   -7.4989    85.016   33.520     78.596   19.603  8.7559  21.467  8.9882  -1.863815      12.54809 
1 1 1 -23 -12 28 o 13.875  6.8010  -130.1486  77.705   -130.1486  77.705   0.0000     0.0000   13.875  6.8010  ?       ?       0.000000       6.800983 
1 1 1 -23 -12 29 o 52.104  8.5018  384.677    103.777  384.677    103.777  0.0000     0.0000   52.104  8.5018  ?       ?       0.000000       8.501836 
1 1 1 -23 -12 30 o 58.899  7.9011  482.290    110.070  482.290    110.070  0.0000     0.0000   58.899  7.9011  ?       ?       0.000000       7.901066 
1 1 1 -23 -12 31 o 29.729  8.4412  128.336    63.733   193.912    85.140   44.761     96.118   35.814  9.6013  23.309  9.8590  12.50564       13.76170 
1 1 1 -23 -12 32 o 103.593 4.3364  1357.16    109.000  1550.99    163.816  1203.17    146.014  108.247 6.2638  95.186  6.3586  13.06073       8.925662 
1 1 1 -23 -12 33 o 51.940  5.4714  352.775    67.917   434.464    106.874  297.438    87.963   55.395  8.1990  45.664  8.2422  9.730774       11.62572 
1 1 1 -23 -12 34 o 30.270  7.4193  129.709    54.070   56.248     91.562   169.044    67.000   23.595  9.7750  34.174  8.1876  -10.57927      12.75093 
1 1 1 -23 -12 35 o 81.329  6.0237  875.375    118.025  1044.11    158.876  667.584    176.306  86.746  7.6257  64.127  11.764  22.61894       14.01961 
1 1 1 -23 -12 36 o 50.319  7.1199  349.311    84.503   491.798    115.205  183.367    124.327  58.591  8.3389  32.882  11.993  25.70842       14.60705 
1 1 1 -23 -12 37 o 13.801  6.4561  -39.4319   53.870   -51.6644   83.854   -30.8359   70.293   17.084  8.0117  16.454  7.5855  0.6293697      11.03302 
1 1 1 -23 -12 38 o 21.813  8.4408  57.945     63.595   288.622    233.620  39.484     66.091   35.898  15.285  20.405  8.3634  15.49302       17.42319 
1 1 1 -23 -12 39 o 16.071  7.3109  -18.0987   62.475   -230.5145  226.184  -0.5541    65.004   22.668  11.205  17.407  7.7230  5.260368       13.60853 
1 1 1 -23 -12 40 o 37.395  7.1441  198.221    62.458   139.654    106.930  228.550    76.950   29.134  11.026  39.229  8.3411  -10.09480      13.82589 
1 1 1 -23 -12 41 o 32.009  9.2298  162.204    75.630   0.0000     0.0000   162.204    75.630   ?       ?       32.009  9.2298  0.000000       9.229754 
1 1 1 -23 -12 42 o 19.370  8.4483  20.460     74.773   0.0000     0.0000   20.460     74.773   ?       ?       19.370  8.4483  0.000000       8.448271 
1 1 1 -23 -12 43 o 21.984  8.9570  60.280     75.237   2.0388     250.172  66.071     78.889   26.066  12.649  22.575  9.1818  3.491474       15.62985 
1 1 1 -23 -12 44 o 16.838  7.1070  20.344     49.778   39.170     78.131   7.4819     64.581   20.502  8.7869  17.410  7.7122  3.092041       11.69129 
1 1 1 -23 -12 45 o 36.162  6.3736  185.889    53.882   256.029    76.229   115.856    76.171   41.001  7.9494  26.320  9.4156  14.68093       12.32262 
1 1 1 -23 -12 46 o 12.694  5.8705  -21.2317   42.600   24.849     62.251   -61.8170   58.421   18.124  7.8070  13.015  6.2650  5.108950       10.00997 
1 1 1 -23 -12 47 o 15.126  6.5874  8.5992     45.309   48.447     68.947   -21.6891   60.111   20.131  8.4228  14.975  6.9423  5.156016       10.91507 
1 1 1 -23 -12 48 o 20.864  7.8896  64.606     54.714   55.917     76.135   73.886     78.682   20.820  8.7886  22.161  9.1093  -1.341324      12.65772 
1 1 1 -23 -12 49 o 15.800  6.9916  8.0015     52.939   0.7820     70.996   17.042     79.448   17.063  7.7744  18.550  8.3604  -1.487007      11.41655 
1 1 1 -23 -12 50 o 18.039  7.3849  38.350     51.453   41.368     68.661   34.485     77.706   19.279  8.2494  19.332  8.5168  -0.5287170E-01 11.85699 
1 1 1 -23 -12 51 o 10.878  5.3653  -87.0287   50.858   -85.4106   57.423   -92.9168   109.539  11.850  5.8161  16.718  8.1691  -4.867852      10.02799 
1 1 1 -23 -12 52 o 18.370  7.8620  33.900     62.389   30.747     72.855   42.569     120.818  18.814  8.2689  21.511  9.9264  -2.696360      12.91934 
1 1 1 -23 -12 53 o 14.945  6.6297  4.1958     47.888   41.624     60.727   -57.3533   77.875   18.878  7.9023  15.173  7.2859  3.705697       10.74852 
1 1 1 -23 -12 54 o 40.046  6.9158  240.590    64.770   307.680    87.380   158.775    96.495   43.157  8.6458  27.944  10.497  15.21330       13.59909 
1 1 1 -23 -12 55 f 19.951  9.1759  24.214     102.035  501.255    371.732  -14.6560   106.111  28.841  14.276  18.703  8.8452  10.13811       16.79408 
1 1 1 -23 -12 56 o 32.004  11.404  235.203    111.641  105.666    385.555  247.057    116.638  24.565  12.459  32.352  11.643  -7.786436      17.05266 
1 1 1 -23 -12 57 o 20.646  9.4809  48.819     108.352  218.904    382.431  33.974     112.982  24.612  12.475  20.217  9.4215  4.394930       15.63314 
1 1 1 -23 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -11 2  o 18.261  6.2703  41.838     33.547   0.0000     0.0000   41.838     33.547   ?       ?       18.261  6.2703  0.000000       6.270333 
1 1 1 -23 -11 3  o 45.666  3.8664  262.851    42.439   190.467    76.361   295.202    51.050   36.100  8.7979  48.144  4.4194  -12.04381      9.845499 
1 1 1 -23 -11 4  o 14.825  5.4658  23.701     25.923   22.840     63.394   23.874     28.407   19.197  8.0570  15.169  5.6959  4.028163       9.867039 
1 1 1 -23 -11 5  o 27.641  5.3776  101.016    34.768   62.680     74.580   111.662    39.300   23.341  9.1104  28.920  5.8023  -5.578905      10.80125 
1 1 1 -23 -11 6  o 46.342  7.2498  292.469    78.848   323.235    134.174  276.240    97.450   44.580  12.096  43.359  9.5232  1.220451       15.39503 
1 1 1 -23 -11 7  o 52.906  4.7501  356.948    60.328   510.754    145.918  325.237    66.256   58.284  10.713  50.046  5.5497  8.238209       12.06488 
1 1 1 -23 -11 8  o 64.155  3.9834  516.172    61.703   437.877    100.395  563.700    78.220   56.819  7.4625  66.522  4.8801  -9.702747      8.916515 
1 1 1 -23 -11 9  o 81.567  4.0143  831.261    79.449   662.337    126.448  941.451    102.126  69.993  7.5659  86.068  4.9106  -16.07541      9.019755 
1 1 1 -23 -11 10 o 91.278  4.0669  1041.08    90.073   1030.86    147.352  1047.18    113.812  88.210  6.9406  90.587  5.1997  -2.377289      8.672323 
1 1 1 -23 -11 11 o 90.441  3.7893  1017.60    83.155   969.822    119.889  1061.90    115.436  86.765  5.7269  91.236  5.2364  -4.471512      7.759967 
1 1 1 -23 -11 12 o 79.508  3.8255  786.471    73.801   779.896    106.973  792.443    101.950  77.829  5.7043  78.712  5.3701  -0.8826447     7.834382 
1 1 1 -23 -11 13 f 16.362  6.4986  21.800     38.538   -30.3675   53.078   79.962     56.044   14.433  6.6308  24.481  8.1033  -10.04720      10.47049 
1 1 1 -23 -11 14 f 36.653  5.3607  173.923    46.267   203.763    61.685   135.546    69.954   39.066  6.7518  30.907  8.8664  8.158741       11.14453 
1 1 1 -23 -11 15 o 30.919  6.0242  126.570    43.570   135.231    59.960   116.880    63.421   31.213  7.9078  28.906  8.4860  2.306896       11.59932 
1 1 1 -23 -11 16 o 58.509  5.8475  442.572    81.904   405.734    97.952   528.187    149.329  54.911  7.5516  60.106  10.628  -5.195629      13.03754 
1 1 1 -23 -11 17 o 88.074  5.4835  991.467    116.603  895.151    144.837  1168.87    196.569  82.036  7.3545  91.979  8.9199  -9.942978      11.56079 
1 1 1 -23 -11 18 o 63.005  4.6296  501.219    70.280   418.255    104.120  570.653    95.253   55.467  7.9649  66.410  5.9752  -10.94326      9.957002 
1 1 1 -23 -11 19 o 41.000  5.6582  218.203    54.789   313.911    78.133   125.614    76.850   48.651  6.8050  29.760  9.4619  18.89138       11.65484 
1 1 1 -23 -11 20 o 40.702  5.9222  216.475    56.772   262.900    81.882   173.497    78.784   43.742  8.0100  34.760  9.1981  8.981815       12.19695 
1 1 1 -23 -11 21 f 13.716  6.3674  -36.5579   50.823   19.523     75.494   -83.0386   68.729   20.468  8.7012  14.335  6.8733  6.132444       11.08836 
1 1 1 -23 -11 22 o 89.305  4.3927  1000.14    95.186   1087.81    137.751  920.025    131.681  91.463  6.2444  83.829  6.5253  7.633972       9.031777 
1 1 1 -23 -11 23 o 92.464  6.7829  1126.41    151.118  1089.90    284.802  1140.71    178.285  79.508  15.318  91.530  8.1117  -12.02199      17.33357 
1 1 1 -23 -11 24 f 88.471  6.7859  1033.28    144.561  1327.81    281.727  928.016    168.424  91.262  13.098  81.861  8.6083  9.400757       15.67362 
1 1 1 -23 -11 25 o 86.863  6.8009  998.328    142.194  988.683    272.822  1001.92    166.614  74.791  15.541  85.541  8.1249  -10.75055      17.53698 
1 1 1 -23 -11 26 o 66.447  4.9551  563.301    79.316   568.086    116.282  559.138    108.465  64.718  7.5466  64.645  7.0282  0.7289886E-01  10.31246 
1 1 1 -23 -11 27 o 52.470  8.3908  385.279    103.227  385.279    103.227  0.0000     0.0000   52.470  8.3908  ?       ?       0.000000       8.390825 
1 1 1 -23 -11 28 f 42.757  10.003  273.716    101.935  273.716    101.935  0.0000     0.0000   42.757  10.003  ?       ?       0.000000       10.00318 
1 1 1 -23 -11 29 o 45.626  9.3442  304.280    99.966   304.280    99.966   0.0000     0.0000   45.626  9.3442  ?       ?       0.000000       9.344151 
1 1 1 -23 -11 30 o 20.126  8.0415  38.881     59.338   93.674     86.305   -10.2401   81.716   26.385  9.9242  19.036  8.5375  7.349419       13.09118 
1 1 1 -23 -11 31 o 55.554  4.9059  396.487    65.451   443.500    108.398  369.512    82.108   56.182  8.1928  52.479  6.5938  3.702763       10.51662 
1 1 1 -23 -11 32 o 15.975  6.8083  8.5576     46.429   74.758     88.328   -16.7172   54.577   24.858  9.8494  15.300  6.9095  9.557937       12.03132 
1 1 1 -23 -11 33 o 23.033  7.4202  72.769     47.144   68.652     88.756   74.386     55.642   24.380  9.8016  23.414  8.0733  0.9663639      12.69843 
1 1 1 -23 -11 34 o 42.844  5.7180  242.601    57.958   283.948    100.343  221.900    71.000   43.260  9.7881  39.725  7.6433  3.534790       12.41883 
1 1 1 -23 -11 35 o 49.108  7.1972  332.370    83.214   327.234    117.231  337.586    118.138  45.439  10.793  46.245  10.735  -0.8065681     15.22258 
1 1 1 -23 -11 36 o 16.120  7.2720  -14.7151   60.266   1.2652     86.571   -29.7414   83.948   19.887  8.8628  18.105  8.3255  1.782372       12.15987 
1 1 1 -23 -11 37 o 36.651  8.7701  199.903    76.951   258.913    110.014  143.377    107.674  39.712  11.026  30.039  11.127  9.672855       15.66431 
1 1 1 -23 -11 38 o 24.292  8.5084  83.301     61.917   -245.8920  251.081  104.616    63.890   23.783  11.765  26.629  8.6441  -2.845503      14.59941 
1 1 1 -23 -11 39 o 9.4878  4.7404  -111.9323  45.036   -90.0007   89.989   -119.2609  52.020   16.264  7.8157  10.416  5.1865  5.848216       9.380018 
1 1 1 -23 -11 40 o 15.513  7.0508  -16.9327   57.941   0.0000     0.0000   -16.9327   57.941   ?       ?       15.513  7.0508  0.000000       7.050827 
1 1 1 -23 -11 41 o 22.303  9.1408  57.296     78.941   0.0000     0.0000   57.296     78.941   ?       ?       22.303  9.1408  0.000000       9.140770 
1 1 1 -23 -11 42 f 41.451  9.4424  272.806    92.847   216.445    263.551  280.792    99.208   31.293  14.518  41.453  9.9825  -10.16000      17.61869 
1 1 1 -23 -11 43 o 19.194  8.2533  26.404     69.333   -30.9421   172.624  37.434     75.708   23.070  11.016  20.405  8.6950  2.664112       14.03375 
1 1 1 -23 -11 44 o 16.132  6.7252  19.671     43.728   64.449     63.859   -19.8639   60.003   21.709  8.4422  15.317  7.0417  6.392586       10.99345 
1 1 1 -23 -11 45 o 26.460  7.3017  105.586    48.410   47.790     70.034   158.469    66.992   20.473  8.5209  31.445  8.5534  -10.97201      12.07337 
1 1 1 -23 -11 46 o 39.604  6.1561  221.533    57.236   267.930    80.897   175.030    80.990   41.309  8.3579  31.638  9.6623  9.671570       12.77554 
1 1 1 -23 -11 47 o 36.030  6.6231  189.276    55.767   262.950    78.644   114.760    79.092   40.844  8.2200  25.678  9.5312  15.16645       12.58622 
1 1 1 -23 -11 48 o 20.990  7.8758  65.744     54.291   71.060     70.978   58.247     84.284   21.802  8.7651  21.299  9.1274  0.5028744      12.65452 
1 1 1 -23 -11 49 o 20.601  7.7808  63.110     53.174   71.571     71.329   52.527     79.775   21.724  8.7681  20.636  8.8625  1.088034       12.46692 
1 1 1 -23 -11 50 o 13.640  6.2978  -17.5685   48.732   47.357     63.681   -109.3137  75.700   19.496  8.1207  13.353  6.5783  6.143019       10.45078 
1 1 1 -23 -11 51 o 15.309  6.9698  -5.8186    56.917   23.912     64.560   -109.5613  120.599  17.856  7.8174  17.118  8.4074  0.7378235      11.48021 
1 1 1 -23 -11 52 o 14.644  6.7553  -15.5657   55.880   -15.8528   63.322   -14.5549   118.803  15.451  7.1497  19.537  9.2744  -4.086043      11.71036 
1 1 1 -23 -11 53 o 40.337  8.0916  259.721    76.440   9.9116     107.074  519.365    109.162  19.826  9.2168  57.338  8.0695  -37.51227      12.25014 
1 1 1 -23 -11 54 o 20.500  7.8289  62.529     54.214   38.124     70.555   97.710     84.711   19.188  8.2882  23.719  9.5616  -4.530302      12.65378 
1 1 1 -23 -11 55 o 24.581  10.214  114.935    100.402  -251.5126  373.563  143.467    104.238  ?       ?       26.329  10.609  0.000000       10.60910 
1 1 1 -23 -11 56 o 17.177  8.2156  -37.8056   96.845   461.189    371.149  -74.2626   100.321  27.654  13.784  16.339  7.9470  11.31495       15.91048 
1 1 1 -23 -11 57 o 22.302  9.6946  88.778     97.769   -350.9342  382.971  119.434    101.119  ?       ?       24.031  10.135  0.000000       10.13540 
1 1 1 -23 -10 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -10 2  o 33.683  5.7616  150.579    45.397   174.499    80.668   139.493    54.919   34.172  9.4238  31.628  7.3037  2.543087       11.92280 
1 1 1 -23 -10 3  o 45.006  3.9573  255.460    42.776   250.534    79.293   257.482    50.802   42.237  8.0307  44.820  4.7434  -2.583908      9.326959 
1 1 1 -23 -10 4  o 55.868  3.9359  392.226    53.013   421.906    95.723   379.096    63.669   55.780  7.2436  54.425  4.8729  1.354111       8.730080 
1 1 1 -23 -10 5  o 45.831  6.3393  278.695    68.608   258.501    131.112  286.310    80.511   39.642  12.325  45.705  7.5214  -6.063313      14.43896 
1 1 1 -23 -10 6  o 25.576  8.7467  89.112     65.264   95.308     106.394  85.373     82.638   27.539  10.842  25.815  9.7108  1.723858       14.55504 
1 1 1 -23 -10 7  o 54.503  4.3294  374.966    56.783   293.773    89.207   430.270    73.624   45.888  8.3182  57.862  5.3030  -11.97369      9.864834 
1 1 1 -23 -10 8  o 24.639  6.2906  81.765     37.738   74.185     61.450   86.355     47.817   23.956  8.4690  25.132  7.3657  -1.176163      11.22396 
1 1 1 -23 -10 9  o 53.094  3.9705  353.249    50.781   377.414    72.262   329.673    71.376   54.072  5.5884  50.296  5.9648  3.775539       8.173671 
1 1 1 -23 -10 10 o 55.950  3.9653  391.815    53.484   397.701    76.482   386.183    74.821   55.445  5.7695  54.655  5.7270  0.7907143      8.129300 
1 1 1 -23 -10 11 o 50.335  4.3133  319.072    52.170   320.987    72.136   316.972    75.542   49.595  6.1246  49.065  6.5057  0.5302238      8.935038 
1 1 1 -23 -10 12 f 53.118  4.4008  355.421    56.209   289.827    77.308   428.986    81.870   46.603  7.0575  57.553  5.9485  -10.94942      9.229991 
1 1 1 -23 -10 13 o 17.243  6.6663  28.021     39.640   61.421     52.533   -16.1409   60.407   22.232  7.8335  16.409  7.3513  5.822334       10.74274 
1 1 1 -23 -10 14 o 75.654  6.1695  740.867    112.265  734.794    134.646  754.718    203.340  74.180  7.5876  70.300  12.373  3.879356       14.51377 
1 1 1 -23 -10 15 o 121.341 5.6455  1877.39    166.218  1760.15    214.928  2051.88    262.190  114.858 7.7575  122.331 8.8940  -7.473839      11.80175 
1 1 1 -23 -10 16 o 154.023 6.2571  3057.82    233.843  2923.75    310.022  3234.78    356.167  146.352 8.7708  152.094 9.7017  -5.742249      13.07859 
1 1 1 -23 -10 17 o 157.028 6.4043  3187.21    244.013  3249.42    324.837  3106.65    369.664  154.431 8.7045  147.637 10.385  6.794006       13.55081 
1 1 1 -23 -10 18 o 120.105 4.2550  1800.81    124.000  1906.81    177.639  1700.07    173.171  121.897 6.0059  114.710 6.2452  7.187019       8.664529 
1 1 1 -23 -10 19 o 59.159  4.8036  442.945    68.358   470.142    99.293   418.441    94.250   59.633  6.9951  56.175  7.0715  3.458447       9.946739 
1 1 1 -23 -10 20 o 33.151  6.9324  148.145    53.968   52.162     78.531   234.041    74.291   23.175  9.2540  41.486  7.6624  -18.31165      12.01453 
1 1 1 -23 -10 21 o 53.831  5.7589  374.296    74.054   417.153    102.617  327.721    106.975  55.508  7.8369  47.936  9.5328  7.572239       12.34064 
1 1 1 -23 -10 22 o 51.469  5.9323  344.024    72.729   341.600    102.284  346.502    103.435  49.414  8.8562  49.746  8.8959  -0.3320007     12.55264 
1 1 1 -23 -10 23 o 57.227  8.3151  450.189    112.082  249.996    235.956  508.522    127.368  38.364  15.773  60.312  8.9772  -21.94755      18.14849 
1 1 1 -23 -10 24 o 44.905  9.1408  287.181    96.210   266.531    214.574  292.377    107.636  38.957  15.378  44.538  10.182  -5.580784      18.44345 
1 1 1 -23 -10 25 o 27.819  9.9515  106.104    85.087   96.258     204.868  108.156    93.536   31.481  13.850  28.213  10.385  3.267570       17.31139 
1 1 1 -23 -10 26 o 65.260  7.1695  570.606    111.656  570.606    111.656  0.0000     0.0000   65.260  7.1695  ?       ?       0.000000       7.169549 
1 1 1 -23 -10 27 o 15.717  7.3177  -45.8604   67.917   -45.8604   67.917   0.0000     0.0000   15.717  7.3177  ?       ?       0.000000       7.317720 
1 1 1 -23 -10 28 o 49.289  8.0172  337.076    92.587   337.076    92.587   0.0000     0.0000   49.289  8.0172  ?       ?       0.000000       8.017239 
1 1 1 -23 -10 29 o 56.892  5.1326  416.352    70.089   424.146    98.808   408.459    99.437   55.719  7.4988  54.476  7.7405  1.243595       10.77713 
1 1 1 -23 -10 30 f 46.682  4.9773  280.592    55.508   265.990    89.813   289.616    70.608   42.880  8.9227  46.585  6.4169  -3.705261      10.99049 
1 1 1 -23 -10 31 o 38.086  5.9134  192.455    52.875   157.405    84.143   215.327    67.971   32.248  9.8486  39.454  7.3712  -7.205639      12.30161 
1 1 1 -23 -10 32 o 47.247  5.0480  288.532    56.974   262.551    91.650   304.895    72.736   42.219  9.2062  47.699  6.4500  -5.479828      11.24089 
1 1 1 -23 -10 33 o 83.049  4.2652  872.714    85.658   996.821    128.270  772.821    115.079  86.920  6.1210  76.345  6.2675  10.57450       8.760664 
1 1 1 -23 -10 34 f 39.757  5.8774  210.103    54.989   203.622    88.408   214.192    70.226   36.482  9.7853  39.005  7.6935  -2.523319      12.44756 
1 1 1 -23 -10 35 o 31.000  8.4894  140.933    65.733   129.084    89.259   154.973    97.163   29.185  10.216  31.381  10.673  -2.196777      14.77402 
1 1 1 -23 -10 36 o 23.430  8.0866  75.278     55.832   -62.5119   74.474   252.093    84.364   15.621  7.3944  41.529  8.6529  -25.90828      11.38203 
1 1 1 -23 -10 37 o 40.546  5.8688  219.545    56.059   227.377    96.187   215.516    68.986   37.935  10.220  39.054  7.5532  -1.118671      12.70838 
1 1 1 -23 -10 38 o 35.183  8.4884  183.239    71.631   105.091    241.702  190.764    75.000   30.300  14.003  35.737  8.7252  -5.436388      16.49861 
1 1 1 -23 -10 39 o 43.787  8.0470  277.234    82.345   0.0000     0.0000   277.234    82.345   ?       ?       43.787  8.0470  0.000000       8.047044 
1 1 1 -23 -10 40 o 54.793  7.3020  422.376    94.664   0.0000     0.0000   422.376    94.664   ?       ?       54.793  7.3020  0.000000       7.302001 
1 1 1 -23 -10 41 o 19.642  8.4148  26.346     71.602   -78.7459   263.552  34.721     74.400   25.963  12.683  20.429  8.6592  5.534081       15.35743 
1 1 1 -23 -10 42 o 11.313  5.5951  -109.8613  56.677   -182.4082  155.755  -98.7890   60.849   19.115  9.4203  12.252  6.0083  6.862337       11.17325 
1 1 1 -23 -10 43 o 23.960  7.5166  84.982     48.641   38.036     68.622   132.387    68.957   19.966  8.3814  28.782  8.9368  -8.815350      12.25210 
1 1 1 -23 -10 44 o 20.676  7.3514  59.943     46.366   44.178     67.491   74.034     63.807   20.209  8.3839  22.605  8.5267  -2.396399      11.95801 
1 1 1 -23 -10 45 o 32.801  6.9378  157.551    53.492   192.626    75.478   122.155    75.823   34.384  8.9574  26.959  9.4170  7.424698       12.99670 
1 1 1 -23 -10 46 o 51.692  5.1657  360.696    63.923   247.723    89.863   476.415    90.948   38.004  9.7095  57.687  6.6173  -19.68300      11.75005 
1 1 1 -23 -10 47 o 40.303  6.0109  229.333    56.983   144.719    83.380   303.490    78.057   28.207  9.8739  44.900  7.4243  -16.69288      12.35368 
1 1 1 -23 -10 48 o 21.842  8.0059  73.628     55.503   88.775     74.415   54.637     83.323   23.303  9.0990  21.049  9.0493  2.253721       12.83287 
1 1 1 -23 -10 49 o 12.468  5.9202  -39.3070   48.458   -36.4622   63.474   -43.2815   75.026   14.538  6.8650  15.477  7.3539  -0.9387636     10.06023 
1 1 1 -23 -10 50 o 16.856  7.4422  14.155     59.656   11.212     67.856   24.172     125.183  17.369  7.7858  21.135  9.8721  -3.765778      12.57288 
1 1 1 -23 -10 51 o 11.565  5.6445  -71.9933   51.857   -70.2510   59.959   -77.1653   103.305  12.729  6.1803  16.748  8.1270  -4.018587      10.21001 
1 1 1 -23 -10 52 o 15.213  6.8180  0.8316     52.010   27.380     70.126   -31.6261   77.539   18.518  8.1263  16.151  7.6145  2.367844       11.13636 
1 1 1 -23 -10 53 o 18.279  7.4987  39.041     53.186   68.738     73.637   6.6503     76.903   21.554  8.8305  17.856  8.1186  3.698023       11.99541 
1 1 1 -23 -10 54 o 27.272  10.220  145.746    91.368   375.224    363.445  130.265    94.399   28.149  13.965  25.965  10.216  2.183922       17.30294 
1 1 1 -23 -10 55 o 19.276  9.0707  -2.9779    109.053  421.908    333.101  -53.9858   115.414  28.634  14.045  18.065  8.7223  10.56949       16.53279 
1 1 1 -23 -10 56 o 24.777  10.716  129.449    118.260  522.200    323.888  69.035     127.030  29.370  14.284  22.193  10.219  7.177315       17.56285 
1 1 1 -23 -9  1  o 23.338  6.8422  74.507     41.255   0.0000     0.0000   74.507     41.255   ?       ?       23.338  6.8422  0.000000       6.842174 
1 1 1 -23 -9  2  o 40.472  3.9930  206.969    38.701   175.181    69.637   221.174    46.552   35.014  8.3196  41.541  4.7012  -6.527153      9.555971 
1 1 1 -23 -9  3  o 44.015  4.0469  244.494    42.736   184.051    76.811   271.593    51.431   35.612  8.9110  46.127  4.6591  -10.51532      10.05545 
1 1 1 -23 -9  4  f 24.068  5.5220  77.060     31.563   8.3450     54.774   111.221    38.620   17.194  7.3629  28.958  5.6994  -11.76379      9.311013 
1 1 1 -23 -9  5  o 32.990  7.4403  150.331    58.138   210.031    122.631  133.023    66.030   36.330  11.985  30.542  8.5641  5.788330       14.73016 
1 1 1 -23 -9  6  o 16.726  6.6547  23.121     40.475   -31.6531   101.496  33.479     44.137   20.254  9.2544  18.290  7.0446  1.963747       11.63057 
1 1 1 -23 -9  7  o 6.7033  3.2177  -21.5226   15.158   -12.6983   16.346   -75.6719   40.493   7.8816  3.6420  9.9974  4.9023  -2.115835      6.107092 
1 1 1 -23 -9  8  o 28.304  4.9260  103.772    32.601   114.080    42.528   89.083     50.768   29.242  6.1870  25.545  7.6164  3.697411       9.812653 
1 1 1 -23 -9  9  o 24.743  6.4226  82.249     38.897   91.506     52.184   70.676     58.347   25.888  7.7226  23.544  8.2587  2.344646       11.30685 
1 1 1 -23 -9  10 o 45.160  4.5636  258.135    49.320   226.646    66.983   295.424    72.889   41.194  6.9487  47.387  6.5113  -6.193714      9.522729 
1 1 1 -23 -9  11 o 72.804  3.9645  661.011    69.770   585.721    97.481   740.089    99.903   67.329  6.0309  76.154  5.4424  -8.824570      8.123517 
1 1 1 -23 -9  12 o 92.622  3.9507  1066.36    88.787   991.603    125.085  1142.28    126.049  87.865  5.9014  94.658  5.5119  -6.793114      8.075115 
1 1 1 -23 -9  13 o 137.315 4.3541  2354.94    145.070  2328.58    208.395  2379.71    202.072  134.341 6.3931  136.152 6.1167  -1.811203      8.847935 
1 1 1 -23 -9  14 o 118.532 4.2133  1751.12    121.177  1787.19    175.217  1718.05    167.766  117.858 6.1484  115.713 5.9959  2.145660       8.587946 
1 1 1 -23 -9  15 o 77.842  5.8733  777.572    110.116  776.361    138.405  779.661    181.765  76.445  7.5608  73.886  10.429  2.559685       12.88113 
1 1 1 -23 -9  16 o 15.325  7.1041  -42.8737   62.928   -32.8389   73.609   -70.1227   121.298  17.297  7.8947  20.928  9.7560  -3.630745      12.55019 
1 1 1 -23 -9  17 o 71.324  6.1767  657.169    105.840  653.999    130.290  663.320    181.488  69.914  7.8140  66.943  11.593  2.971428       13.98066 
1 1 1 -23 -9  18 o 120.928 4.2534  1823.60    124.805  1869.51    178.495  1779.68    174.573  120.576 6.1211  117.618 6.1383  2.957413       8.668711 
1 1 1 -23 -9  19 o 135.485 4.4161  2294.55    145.176  2339.00    208.175  2252.47    202.560  134.664 6.3711  132.220 6.3138  2.444107       8.969703 
1 1 1 -23 -9  20 o 96.230  4.3107  1156.36    100.652  1046.54    143.581  1262.48    141.139  89.610  6.6510  99.186  5.8909  -9.576653      8.884768 
1 1 1 -23 -9  21 o 75.435  4.6000  716.135    83.795   620.505    118.077  813.160    118.935  68.431  7.2204  79.237  6.2365  -10.80614      9.540880 
1 1 1 -23 -9  22 o 45.361  10.787  305.866    116.988  226.986    239.582  330.563    134.057  37.847  15.757  46.300  11.875  -8.452763      19.73060 
1 1 1 -23 -9  23 o 29.874  11.211  120.910    110.023  141.602    233.409  114.999    124.752  34.362  14.958  29.924  11.753  4.437426       19.02329 
1 1 1 -23 -9  24 o 33.486  11.218  168.026    107.341  54.021     225.753  201.330    122.017  31.091  14.045  36.019  11.958  -4.927937      18.44638 
1 1 1 -23 -9  25 o 23.076  9.0277  57.187     73.361   57.187     73.361   0.0000     0.0000   23.076  9.0277  ?       ?       0.000000       9.027746 
1 1 1 -23 -9  26 o 35.844  9.4875  187.723    83.805   187.723    83.805   0.0000     0.0000   35.844  9.4875  ?       ?       0.000000       9.487481 
1 1 1 -23 -9  27 o 45.629  8.6302  293.702    92.050   293.702    92.050   0.0000     0.0000   45.629  8.6302  ?       ?       0.000000       8.630239 
1 1 1 -23 -9  28 o 20.551  7.8950  45.760     55.336   90.008     75.367   -5.9907    81.507   25.924  9.3554  19.375  8.6195  6.548676       12.72080 
1 1 1 -23 -9  29 o 52.422  4.8357  351.418    60.815   398.887    96.888   320.558    78.121   53.969  7.6101  48.889  6.7670  5.079803       10.18359 
1 1 1 -23 -9  30 o 48.311  5.1277  301.156    59.189   392.587    94.796   242.735    75.775   53.543  7.5027  41.765  7.7631  11.77708       10.79613 
1 1 1 -23 -9  31 o 29.757  7.0251  122.597    49.910   148.956    83.335   107.854    62.324   31.464  9.8334  27.459  8.4912  4.005428       12.99216 
1 1 1 -23 -9  32 o 36.611  6.0174  178.761    51.597   210.887    81.524   157.292    66.643   37.897  8.9997  33.027  8.3201  4.869537       12.25639 
1 1 1 -23 -9  33 o 25.334  7.3222  89.727     47.548   24.002     79.242   126.705    59.438   20.718  8.8635  29.712  8.0462  -8.994347      11.97095 
1 1 1 -23 -9  34 o 27.456  8.4292  108.878    61.544   98.055     82.015   122.827    93.110   26.468  9.7273  28.759  10.395  -2.291130      14.23670 
1 1 1 -23 -9  35 o 30.119  8.7312  133.809    67.518   154.108    91.600   109.660    99.911   31.459  10.357  27.742  10.620  3.717262       14.83425 
1 1 1 -23 -9  36 o 46.224  7.1959  295.133    78.083   291.508    103.315  299.961    119.240  43.560  9.9880  42.841  11.306  0.7192192      15.08598 
1 1 1 -23 -9  37 o 36.411  7.9598  190.689    68.362   426.872    244.693  170.694    71.197   42.141  16.487  33.941  8.6267  8.199474       18.60778 
1 1 1 -23 -9  38 o 19.777  8.1731  33.392     63.786   0.0000     0.0000   33.392     63.786   ?       ?       19.777  8.1731  0.000000       8.173120 
1 1 1 -23 -9  39 o 24.902  8.8742  88.940     67.600   0.0000     0.0000   88.940     67.600   ?       ?       24.902  8.8742  0.000000       8.874170 
1 1 1 -23 -9  40 o 52.049  14.428  542.794    188.545  0.0000     0.0000   542.794    188.545  ?       ?       52.049  14.428  0.000000       14.42822 
1 1 1 -23 -9  41 o 35.917  10.115  212.075    91.904   389.098    280.099  190.718    97.290   36.599  16.145  33.479  10.646  3.120861       19.33889 
1 1 1 -23 -9  42 o 18.337  8.0659  11.008     69.453   126.650    170.791  -11.9042   76.022   28.273  12.532  17.692  8.0548  10.58068       14.89752 
1 1 1 -23 -9  43 o 15.614  6.7593  8.0662     47.138   -68.3122   68.854   75.441     64.668   14.312  6.8668  22.921  8.5966  -8.608643      11.00245 
1 1 1 -23 -9  44 o 28.114  7.3028  117.864    50.264   53.086     71.847   179.964    70.346   21.128  8.6970  33.793  8.5675  -12.66409      12.20819 
1 1 1 -23 -9  45 o 25.232  7.6962  97.734     51.407   87.010     71.352   109.309    74.130   23.732  9.0011  25.768  9.2812  -2.036566      12.92900 
1 1 1 -23 -9  46 o 23.386  7.8183  84.389     52.133   165.979    76.736   14.453     71.045   31.091  9.3852  18.181  8.0698  12.90931       12.37755 
1 1 1 -23 -9  47 o 24.043  7.6667  90.394     50.426   100.433    70.816   80.069     71.822   24.549  9.0363  22.733  8.9214  1.816715       12.69829 
1 1 1 -23 -9  48 f 47.107  6.0613  314.870    67.675   339.615    91.692   285.260    100.301  45.911  8.5454  39.365  10.360  6.545845       13.42966 
1 1 1 -23 -9  49 o 21.204  8.0951  67.977     57.951   64.747     78.161   71.921     86.360   21.427  8.9668  22.124  9.3509  -0.6976185     12.95535 
1 1 1 -23 -9  50 o 23.017  8.6647  87.000     65.816   144.489    75.148   -102.3029  136.367  28.273  9.3845  18.314  8.9834  9.959415       12.99113 
1 1 1 -23 -9  51 o 25.407  8.8555  111.516    67.033   95.042     76.697   164.806    137.943  23.644  9.2361  27.063  11.639  -3.418766      14.85861 
1 1 1 -23 -9  52 o 12.682  5.9742  -32.4135   47.539   10.115     57.338   -125.9412  85.029   16.412  7.2687  13.929  6.8824  2.482812       10.01008 
1 1 1 -23 -9  53 f 14.557  6.6715  -12.5143   53.295   -1.3149    68.334   -29.9051   85.153   16.756  7.6317  16.914  7.9759  -0.1575832     11.03897 
1 1 1 -23 -9  54 o 27.334  11.456  167.456    127.889  271.053    319.585  147.702    139.550  27.344  13.480  26.140  11.467  1.203974       17.69746 
1 1 1 -23 -9  55 o 18.414  8.7530  -23.8547   106.501  -212.6514  311.384  1.1566     113.336  21.977  11.152  19.613  9.2345  2.364143       14.47889 
1 1 1 -23 -9  56 f 15.736  7.7307  -101.3785  102.199  -130.7945  309.723  -97.7843   108.263  22.091  11.200  16.259  7.9814  5.831879       13.75327 
1 1 1 -23 -8  1  o 55.231  3.9719  383.643    52.873   438.901    112.885  368.113    59.843   55.738  8.6254  53.757  4.6332  1.981354       9.790994 
1 1 1 -23 -8  2  o 33.648  4.4475  144.826    35.421   88.032     62.724   171.418    42.920   25.354  8.5753  36.425  4.9872  -11.07114      9.920022 
1 1 1 -23 -8  3  o 54.151  3.9259  367.899    51.234   431.839    89.503   336.737    62.483   57.076  6.5836  51.221  5.0951  5.854267       8.324862 
1 1 1 -23 -8  4  o 105.532 5.8466  1439.58    149.124  1551.19    250.413  1378.25    185.628  103.560 10.094  101.122 7.6215  2.438057       12.64803 
1 1 1 -23 -8  5  o 55.860  6.1026  407.384    81.369   452.090    157.684  391.159    94.993   53.468  12.396  53.809  7.4778  -0.3415184     14.47664 
1 1 1 -23 -8  6  o 45.706  3.7687  261.274    41.423   285.390    57.683   235.594    59.523   47.207  5.1178  42.459  5.9402  4.747787       7.840781 
1 1 1 -23 -8  7  o 55.654  3.8953  387.050    52.270   301.684    71.022   487.930    77.206   48.001  6.2458  61.847  5.1929  -13.84594      8.122558 
1 1 1 -23 -8  8  o 67.756  3.9946  573.272    65.382   514.585    89.752   639.630    95.438   63.112  5.9306  70.628  5.6154  -7.515968      8.167290 
1 1 1 -23 -8  9  o 69.676  3.9633  605.482    66.727   616.594    93.429   593.913    95.332   69.391  5.5965  67.939  5.8398  1.452507       8.088552 
1 1 1 -23 -8  10 o 27.243  7.1249  100.625    47.633   127.275    71.569   79.433     63.822   30.119  9.0574  24.821  8.6414  5.298182       12.51838 
1 1 1 -23 -8  11 o 15.490  6.5275  7.8428     41.881   -6.3680    61.344   20.250     57.318   17.208  7.5748  18.667  7.7339  -1.459181      10.82543 
1 1 1 -23 -8  12 o 44.592  5.7862  256.884    61.130   265.405    96.195   251.112    79.172   43.333  9.4179  43.024  7.8741  0.3083115      12.27591 
1 1 1 -23 -8  13 f 33.728  7.0680  152.842    55.993   168.294    87.820   142.257    72.682   34.223  9.9683  31.834  9.0059  2.389412       13.43401 
1 1 1 -23 -8  14 o 41.129  7.5026  227.498    72.115   199.066    83.987   307.281    140.689  37.522  9.2772  44.534  12.506  -7.011539      15.57101 
1 1 1 -23 -8  15 o 69.293  5.9606  616.680    99.243   570.046    124.736  697.118    163.824  65.155  8.0621  70.565  9.8354  -5.409943      12.71743 
1 1 1 -23 -8  16 o 58.073  6.1970  436.211    85.973   374.245    105.797  556.689    147.520  52.272  8.6435  62.821  10.014  -10.54916      13.22845 
1 1 1 -23 -8  17 o 32.728  6.7795  143.045    52.066   136.984    72.792   149.394    74.502   31.263  9.0666  32.589  9.0824  -1.325537      12.83329 
1 1 1 -23 -8  18 o 39.727  5.9400  205.175    55.501   299.823    78.224   109.226    78.759   47.626  6.9759  28.372  9.6090  19.25393       11.87416 
1 1 1 -23 -8  19 o 41.579  5.7500  223.638    56.458   242.694    80.510   205.200    79.194   42.112  8.1740  38.363  8.7070  3.748249       11.94264 
1 1 1 -23 -8  20 o 20.192  7.8118  40.413     54.463   42.721     71.872   37.301     83.466   21.984  8.8266  22.588  9.3433  -0.6036892     12.85326 
1 1 1 -23 -8  21 o 25.678  8.2626  88.618     58.468   46.979     77.342   144.149    89.317   22.752  9.1488  31.729  10.213  -8.976212      13.71124 
1 1 1 -23 -8  22 o 82.630  7.4789  907.464    148.323  909.914    271.270  906.419    177.148  72.797  15.810  80.848  9.1939  -8.050713      18.28924 
1 1 1 -23 -8  23 o 63.758  8.8680  562.769    133.476  615.666    264.311  544.662    154.643  56.223  17.503  60.930  10.858  -4.707752      20.59731 
1 1 1 -23 -8  24 o 40.689  16.427  301.332    250.437  301.332    250.437  0.0000     0.0000   40.689  16.427  ?       ?       0.000000       16.42708 
1 1 1 -23 -8  25 o 44.151  9.2045  277.901    95.412   277.901    95.412   0.0000     0.0000   44.151  9.2045  ?       ?       0.000000       9.204522 
1 1 1 -23 -8  26 o 67.547  7.2420  610.199    116.842  610.199    116.842  0.0000     0.0000   67.547  7.2420  ?       ?       0.000000       7.242028 
1 1 1 -23 -8  27 o 120.441 4.5086  1825.94    131.760  1833.58    186.920  1818.40    185.757  118.215 6.5421  117.743 6.5276  0.4719620      9.241625 
1 1 1 -23 -8  28 o 50.689  4.9778  329.080    60.434   437.500    99.035   264.754    76.283   56.872  7.3486  44.052  7.3991  12.82002       10.42826 
1 1 1 -23 -8  29 o 34.437  6.5564  159.996    52.782   289.967    88.443   88.097     65.781   45.421  8.3319  25.422  8.7774  19.99907       12.10225 
1 1 1 -23 -8  30 o 61.036  4.7077  474.677    69.182   649.915    109.978  359.925    88.995   69.978  6.5534  51.380  7.3478  18.59824       9.845662 
1 1 1 -23 -8  31 o 20.704  7.3540  53.768     46.388   23.095     80.750   68.877     56.673   20.894  8.9435  22.958  8.1313  -2.063770      12.08736 
1 1 1 -23 -8  32 o 69.793  4.5054  618.851    75.889   787.536    114.675  487.410    101.226  77.296  6.1656  59.952  7.0964  17.34439       9.400659 
1 1 1 -23 -8  33 o 45.994  5.4560  276.358    59.702   284.102    96.348   271.531    76.066   43.848  9.3419  44.392  7.3169  -0.5440865     11.86629 
1 1 1 -23 -8  34 o 67.470  6.2101  603.490    100.523  714.390    131.145  445.523    156.520  71.954  7.6280  51.353  12.645  20.60080       14.76795 
1 1 1 -23 -8  35 o 115.330 6.1803  1758.25    172.318  2063.04    224.895  1324.89    268.165  122.403 7.6099  89.252  12.745  33.15145       14.84389 
1 1 1 -23 -8  36 o 39.343  7.8616  219.928    72.423   227.984    93.668   207.955    114.198  38.388  9.9678  35.311  11.561  3.077778       15.26503 
1 1 1 -23 -8  37 o 33.737  8.1196  165.288    65.664   0.0000     0.0000   165.288    65.664   ?       ?       33.737  8.1196  0.000000       8.119593 
1 1 1 -23 -8  38 o 18.807  7.8404  26.205     59.437   0.0000     0.0000   26.205     59.437   ?       ?       18.807  7.8404  0.000000       7.840412 
1 1 1 -23 -8  39 o 42.930  8.6796  273.357    87.303   0.0000     0.0000   273.357    87.303   ?       ?       42.930  8.6796  0.000000       8.679552 
1 1 1 -23 -8  40 o 50.013  9.0183  376.824    105.413  796.736    272.864  303.162    114.285  55.779  17.839  42.551  10.992  13.22803       20.95356 
1 1 1 -23 -8  41 o 19.833  8.4992  27.471     73.086   359.832    186.707  -32.6735   79.424   39.623  14.657  17.154  7.9624  22.46921       16.67989 
1 1 1 -23 -8  42 o 26.626  9.4254  111.787    76.137   -72.0078   180.623  151.502    83.961   22.743  10.964  30.209  9.9144  -7.465961      14.78211 
1 1 1 -23 -8  43 o 11.992  5.7153  -46.5926   46.006   2.2612     68.445   -86.8546   62.135   17.590  7.8567  12.771  6.2212  4.819205       10.02150 
1 1 1 -23 -8  44 o 36.593  6.5387  190.276    55.926   172.459    78.558   208.585    79.635   32.147  9.4465  35.876  9.1265  -3.728985      13.13508 
1 1 1 -23 -8  45 o 15.982  6.8059  15.626     46.333   -0.7827    71.689   27.396     60.719   17.493  7.9074  18.306  7.7933  -0.8136272     11.10242 
1 1 1 -23 -8  46 o 26.998  7.5277  112.398    51.166   71.331     72.855   152.367    71.875   22.215  8.8982  30.040  9.0864  -7.825449      12.71776 
1 1 1 -23 -8  47 o 30.261  8.2422  148.053    62.157   144.228    79.515   154.062    99.668   28.365  9.6547  28.164  10.649  0.2008476      14.37394 
1 1 1 -23 -8  48 o 21.628  8.0779  71.433     56.984   9.1370     71.722   178.069    93.838   17.690  7.9610  30.216  10.481  -12.52550      13.16130 
1 1 1 -23 -8  49 o 31.254  8.1367  158.645    62.308   176.635    79.657   130.289    100.007  31.241  9.5895  26.029  10.426  5.211710       14.16512 
1 1 1 -23 -8  50 o 12.107  5.9012  -74.1672   56.143   -68.3062   61.888   -101.4131  133.435  13.067  6.3288  18.193  8.9164  -5.125380      10.93418 
1 1 1 -23 -8  51 o 13.836  6.5320  -36.0703   57.400   -45.9921   64.494   1.7322     125.888  14.251  6.7849  20.523  9.6839  -6.271673      11.82425 
1 1 1 -23 -8  52 o 17.512  7.5214  25.219     57.463   -32.4663   72.909   119.810    93.363   15.735  7.4082  25.455  10.113  -9.719389      12.53647 
1 1 1 -23 -8  53 o 15.268  6.8338  1.0358     52.077   8.4332     64.918   -12.3188   87.224   17.013  7.6214  17.796  8.2883  -0.7832222     11.25975 
1 1 1 -23 -8  54 o 17.415  8.4657  -78.4563   113.422  105.035    301.959  -108.5978  122.383  25.289  12.577  17.281  8.4838  8.007380       15.17076 
1 1 1 -23 -8  55 f 20.044  9.3444  17.129     111.313  282.594    314.286  -20.9476   119.028  26.864  13.266  19.153  9.1459  7.710934       16.11315 
1 1 1 -23 -8  56 o 28.622  11.479  204.010    121.418  228.262    330.742  200.233    130.532  25.258  12.653  27.864  11.618  -2.606068      17.17772 
1 1 1 -23 -7  1  o 20.141  5.5724  53.853     28.153   87.858     55.265   41.937     32.716   25.237  8.0239  18.314  6.1931  6.922827       10.13592 
1 1 1 -23 -7  2  o 22.805  5.8422  69.596     32.472   102.699    60.670   56.305     38.442   27.076  8.3786  20.753  6.7020  6.322062       10.72930 
1 1 1 -23 -7  3  o 23.942  6.3173  77.237     37.232   85.345     53.440   69.588     51.902   25.004  7.8839  23.039  7.8005  1.964958       11.09069 
1 1 1 -23 -7  4  o 79.474  5.7299  813.906    109.751  704.367    191.604  867.395    133.892  67.597  12.127  81.036  6.8743  -13.43878      13.94031 
1 1 1 -23 -7  5  o 87.572  4.5588  965.593    96.534   983.031    215.989  961.241    107.911  81.415  11.233  86.949  5.1378  -5.533249      12.35194 
1 1 1 -23 -7  6  o 25.776  5.0316  86.530     30.340   66.536     40.260   112.808    46.155   22.396  6.8064  28.920  6.7075  -6.524147      9.555990 
1 1 1 -23 -7  7  o 32.660  5.7790  139.704    44.121   98.479     55.614   209.715    72.475   26.817  7.9661  39.118  7.9077  -12.30066      11.22454 
1 1 1 -23 -7  8  o 65.870  4.3412  543.976    68.995   535.608    96.036   552.901    99.187   64.278  6.2360  65.242  6.3459  -0.9639969     8.897069 
1 1 1 -23 -7  9  o 75.569  4.4806  716.234    81.790   802.036    130.037  660.072    105.206  78.268  6.9185  71.534  6.1202  6.734055       9.237021 
1 1 1 -23 -7  10 o 35.528  6.1760  165.670    51.308   167.678    74.602   163.869    70.677   34.576  8.8538  34.316  8.5261  0.2603340      12.29163 
1 1 1 -23 -7  11 o 66.001  4.6130  547.339    73.410   603.294    119.345  513.282    93.108   67.555  7.4021  63.064  6.1635  4.490437       9.632221 
1 1 1 -23 -7  12 f 50.011  4.7793  315.971    57.289   253.515    80.457   380.203    81.593   43.260  7.9583  54.135  6.3313  -10.87516      10.16958 
1 1 1 -23 -7  13 o 76.728  4.0687  733.015    75.478   775.950    106.665  689.956    106.818  78.022  5.6731  73.303  6.0600  4.719536       8.301127 
1 1 1 -23 -7  14 o 35.997  8.0744  177.329    68.788   173.620    83.038   185.440    122.803  35.003  9.5235  35.481  11.999  -0.4781647     15.31882 
1 1 1 -23 -7  15 o 15.937  7.1691  -19.9374   58.098   -10.8351   68.750   -42.6757   108.661  17.960  7.9565  20.870  9.5507  -2.910103      12.43069 
1 1 1 -23 -7  16 o 34.525  8.6569  165.644    72.388   174.511    87.364   146.223    129.296  34.965  9.8673  32.674  12.175  2.290981       15.67138 
1 1 1 -23 -7  17 o 78.379  4.3079  767.190    81.613   818.493    116.307  717.427    114.549  79.883  6.0453  74.523  6.3969  5.360207       8.801424 
1 1 1 -23 -7  18 o 46.971  5.4032  282.101    60.459   268.677    85.594   295.467    85.411   44.396  8.2493  46.877  7.7821  -2.480164      11.34077 
1 1 1 -23 -7  19 o 63.155  4.8163  502.932    73.247   559.106    100.965  440.517    106.426  65.675  6.4179  57.334  7.8569  8.340984       10.14499 
1 1 1 -23 -7  20 o 23.907  8.2075  73.089     57.477   52.421     75.764   101.110    88.219   23.119  9.1342  27.899  10.113  -4.779821      13.62770 
1 1 1 -23 -7  21 o 70.970  4.8405  635.500    82.857   702.416    116.480  566.956    117.888  73.446  6.6068  65.232  7.5900  8.213707       10.06269 
1 1 1 -23 -7  22 o 77.816  7.8533  811.062    146.253  110.135    268.716  1106.09    174.337  34.719  15.533  90.807  7.9939  -56.08724      17.46941 
1 1 1 -23 -7  23 o 91.780  14.513  1370.49    312.458  1370.49    312.458  0.0000     0.0000   91.780  14.513  ?       ?       0.000000       14.51328 
1 1 1 -23 -7  24 o 36.922  15.447  208.288    231.846  208.288    231.846  0.0000     0.0000   36.922  15.447  ?       ?       0.000000       15.44653 
1 1 1 -23 -7  25 o 101.312 6.7139  1345.61    164.109  1345.61    164.109  0.0000     0.0000   101.312 6.7139  ?       ?       0.000000       6.713900 
1 1 1 -23 -7  26 o 91.826  4.7753  1066.67    106.029  1054.52    150.819  1078.54    149.092  89.219  7.0236  90.421  6.8463  -1.202499      9.808278 
1 1 1 -23 -7  27 o 29.049  7.5536  117.055    53.740   157.598    96.943   99.070     64.568   32.474  10.653  26.720  8.6907  5.753571       13.74831 
1 1 1 -23 -7  28 o 15.659  6.6220  8.6133     43.350   24.167     92.793   4.2713     49.029   22.180  9.5429  16.112  6.9343  6.068624       11.79625 
1 1 1 -23 -7  29 o 23.331  7.5105  73.461     48.306   109.007    96.310   61.513     55.837   28.137  10.503  22.209  8.0467  5.927980       13.23120 
1 1 1 -23 -7  30 o 57.551  4.8654  423.519    67.304   495.116    112.721  383.852    83.902   59.855  7.9587  53.661  6.5819  6.193966       10.32775 
1 1 1 -23 -7  31 o 83.544  4.5496  885.397    91.879   1161.19    146.870  708.065    117.769  93.640  6.5044  72.814  6.7423  20.82604       9.368391 
1 1 1 -23 -7  32 o 20.521  7.3052  52.734     45.797   -9.6737    96.538   70.858     52.024   20.493  9.2280  22.988  7.8095  -2.494534      12.08901 
1 1 1 -23 -7  33 o 26.537  7.6466  99.328     51.927   146.503    99.711   81.773     60.826   30.873  10.798  24.440  8.4402  6.432512       13.70540 
1 1 1 -23 -7  34 o 25.458  9.1497  89.372     72.008   232.087    98.514   -74.3492   105.515  38.661  10.312  18.658  8.8227  20.00344       13.57109 
1 1 1 -23 -7  35 o 38.865  8.6186  219.906    79.145   193.651    105.678  253.443    119.436  34.603  11.106  39.038  11.692  -4.434452      16.12552 
1 1 1 -23 -7  36 o 21.766  8.0924  59.249     57.061   0.0000     0.0000   59.249     57.061   ?       ?       21.766  8.0924  0.000000       8.092406 
1 1 1 -23 -7  37 o 10.123  5.0316  -108.6188  48.052   0.0000     0.0000   -108.6188  48.052   ?       ?       10.123  5.0316  0.000000       5.031594 
1 1 1 -23 -7  38 o 28.323  9.0612  120.727    70.394   0.0000     0.0000   120.727    70.394   ?       ?       28.323  9.0612  0.000000       9.061171 
1 1 1 -23 -7  39 o 13.223  6.0497  -20.3876   43.560   -5.0226    66.437   -31.9737   57.691   17.328  7.7400  14.701  6.8105  2.626565       10.30968 
1 1 1 -23 -7  40 o 37.135  8.5691  207.172    75.641   -70.3375   183.470  264.002    83.026   23.446  11.238  42.235  8.3975  -18.78904      14.02925 
1 1 1 -23 -7  41 o 33.661  9.1952  178.524    77.228   -102.5316  195.770  230.323    84.044   23.044  11.184  38.474  9.1385  -15.42941      14.44256 
1 1 1 -23 -7  42 f 20.482  7.5350  55.769     49.229   114.255    72.028   4.4959     67.440   26.911  9.1888  17.721  7.8640  9.189877       12.09449 
1 1 1 -23 -7  43 o 19.493  7.3196  48.928     46.910   22.857     68.944   71.402     64.011   18.906  8.1795  22.487  8.5263  -3.581894      11.81537 
1 1 1 -23 -7  44 o 25.419  7.7962  98.738     52.661   125.209    78.599   77.177     70.937   27.346  9.5859  23.011  8.9118  4.335232       13.08852 
1 1 1 -23 -7  45 o 17.558  7.0525  33.230     45.905   -0.2941    72.566   55.596     59.272   17.582  7.9511  20.536  8.0901  -2.953985      11.34326 
1 1 1 -23 -7  46 o 11.046  5.3280  -52.6468   42.790   -70.8769   62.967   -37.0045   58.327   13.256  6.4111  14.066  6.6233  -0.8097458     9.217927 
1 1 1 -23 -7  47 o 17.806  7.5133  29.410     55.605   63.032     69.717   -29.3707   92.183   21.262  8.6379  17.673  8.3232  3.589495       11.99534 
1 1 1 -23 -7  48 o 17.943  7.6895  27.943     59.825   25.715     75.661   31.660     97.720   18.919  8.3659  20.477  9.2465  -1.557812      12.46943 
1 1 1 -23 -7  49 o 20.541  8.5868  54.996     71.570   50.119     80.709   72.943     154.841  20.598  8.8809  23.703  11.041  -3.105091      14.16916 
1 1 1 -23 -7  50 o 28.996  9.2725  149.525    73.722   105.033    82.364   328.791    165.327  24.473  9.5681  34.206  13.500  -9.732748      16.54673 
1 1 1 -23 -7  51 o 17.942  7.6111  30.815     57.552   35.599     70.495   21.255     99.659   19.146  8.2772  20.027  9.1581  -0.8810043     12.34438 
1 1 1 -23 -7  52 o 48.079  13.567  535.553    165.158  96.108     247.297  889.366    221.898  25.344  12.360  59.254  15.321  -33.90982      19.68497 
1 1 1 -23 -7  53 o 21.460  9.2850  59.733     88.842   41.079     309.289  61.410     92.751   24.904  12.440  21.682  9.4339  3.222021       15.61232 
1 1 1 -23 -7  54 o 19.061  8.9828  -10.6260   107.689  -91.0983   331.805  -1.1512    113.853  23.527  11.893  19.711  9.2731  3.815502       15.08116 
1 1 1 -23 -7  55 o 20.180  9.4883  13.785     118.913  132.074    315.113  -5.8574    128.407  24.937  12.471  19.962  9.5230  4.975426       15.69123 
1 1 1 -23 -7  56 o 30.378  11.760  237.439    123.474  495.298    334.482  196.756    132.858  27.954  13.782  27.360  11.583  0.5941429      18.00303 
1 1 1 -23 -6  1  o 63.007  3.8095  496.345    57.966   509.695    96.250   488.746    72.611   62.168  6.4758  61.946  4.8702  0.2224159      8.102752 
1 1 1 -23 -6  2  o 35.295  3.8769  156.928    32.655   172.268    44.482   138.997    48.091   36.505  5.1660  32.219  6.3774  4.286877       8.207278 
1 1 1 -23 -6  3  o 37.084  6.7249  184.251    58.282   250.013    109.963  158.561    68.730   40.583  10.925  33.513  8.4532  7.070129       13.81345 
1 1 1 -23 -6  4  o 32.408  7.3293  143.530    56.284   30.909     116.187  178.062    64.337   24.603  10.631  36.053  7.5944  -11.44997      13.06531 
1 1 1 -23 -6  5  o 37.150  4.2920  174.518    37.976   171.114    52.801   178.167    54.660   35.991  6.2743  36.699  6.3694  -0.7072411     8.940705 
1 1 1 -23 -6  6  o 25.008  5.5293  82.345     32.660   70.891     42.859   98.207     50.437   23.100  7.0232  26.844  7.4700  -3.743780      10.25310 
1 1 1 -23 -6  7  o 56.574  4.5212  402.766    61.544   399.658    86.413   405.965    87.675   55.284  6.5706  55.695  6.6172  -0.4112320     9.325280 
1 1 1 -23 -6  8  o 71.834  4.2622  645.083    73.957   662.425    105.569  628.369    103.641  71.690  6.1278  69.773  6.1859  1.916855       8.707255 
1 1 1 -23 -6  9  o 131.002 4.2667  2137.46    135.624  2114.94    193.173  2159.35    190.457  128.477 6.1967  129.993 6.0383  -1.516479      8.652148 
1 1 1 -23 -6  10 o 95.271  3.9837  1126.19    92.089   1039.01    130.879  1211.67    129.597  90.063  6.0238  97.718  5.4881  -7.655037      8.148948 
1 1 1 -23 -6  11 o 69.434  4.1526  601.063    69.639   526.713    98.599   675.070    98.371   63.774  6.4610  72.810  5.6114  -9.036247      8.557638 
1 1 1 -23 -6  12 o 64.709  4.2542  522.856    66.423   512.338    94.750   533.020    93.144   63.018  6.2802  64.436  6.0274  -1.417847      8.704630 
1 1 1 -23 -6  13 o 14.067  6.4504  -29.6250   49.904   -38.1852   56.818   -0.7349    104.381  14.702  6.7924  22.410  9.8721  -7.708641      11.98312 
1 1 1 -23 -6  14 o 46.767  7.2254  289.433    79.348   297.621    96.554   272.400    139.261  46.506  8.8805  42.154  12.625  4.351315       15.43537 
1 1 1 -23 -6  15 o 42.420  8.3574  245.486    82.962   199.036    103.648  328.303    138.397  36.984  10.846  46.664  12.116  -9.680340      16.26125 
1 1 1 -23 -6  16 o 25.531  7.7578  87.097     52.306   44.868     77.244   122.858    71.082   22.751  9.1449  29.839  9.0385  -7.087683      12.85785 
1 1 1 -23 -6  17 o 67.526  4.7364  572.988    77.113   563.507    114.482  580.863    104.331  65.427  7.3378  66.992  6.5003  -1.564430      9.802891 
1 1 1 -23 -6  18 o 73.003  4.5993  668.248    81.053   767.198    121.803  589.607    108.585  76.972  6.5851  67.319  6.7382  9.652565       9.421625 
1 1 1 -23 -6  19 o 93.343  4.8748  1095.74    110.026  1023.77    174.085  1143.61    141.978  87.354  8.3136  94.319  6.2390  -6.965416      10.39429 
1 1 1 -23 -6  20 o 131.624 4.5466  2165.55    145.207  2256.96    207.907  2078.50    202.893  132.389 6.4722  126.741 6.6206  5.648186       9.258576 
1 1 1 -23 -6  21 o 63.080  8.2952  538.547    123.886  466.162    222.309  571.151    149.200  51.173  16.072  63.576  10.002  -12.40292      18.93017 
1 1 1 -23 -6  22 o 42.651  15.505  315.749    207.562  315.749    207.562  0.0000     0.0000   42.651  15.505  ?       ?       0.000000       15.50492 
1 1 1 -23 -6  23 o 34.399  14.246  157.641    194.395  157.641    194.395  0.0000     0.0000   34.399  14.246  ?       ?       0.000000       14.24641 
1 1 1 -23 -6  24 o 46.651  10.067  315.567    110.603  315.567    110.603  0.0000     0.0000   46.651  10.067  ?       ?       0.000000       10.06655 
1 1 1 -23 -6  25 o 32.206  8.6383  146.707    68.897   183.086    98.563   111.946    96.345   35.021  10.651  28.770  10.548  6.250126       14.98992 
1 1 1 -23 -6  26 o 35.592  8.2408  177.485    69.765   145.363    101.213  206.562    96.296   31.518  10.887  37.222  10.309  -5.704327      14.99349 
1 1 1 -23 -6  27 o 39.071  5.9587  200.672    54.703   182.722    101.676  207.984    64.896   34.671  10.866  39.201  7.0833  -4.530769      12.97085 
1 1 1 -23 -6  28 o 67.567  4.6653  578.902    76.017   706.521    126.918  507.510    94.927   72.493  7.3155  62.083  6.3930  10.40998       9.715301 
1 1 1 -23 -6  29 o 50.733  5.3101  332.318    64.399   435.286    113.129  282.955    78.329   55.595  8.6691  45.572  7.3324  10.02306       11.35416 
1 1 1 -23 -6  30 o 60.665  4.9625  471.181    72.407   708.708    119.789  334.438    90.890   72.834  6.8591  49.129  7.8916  23.70433       10.45585 
1 1 1 -23 -6  31 o 76.619  4.6343  746.172    85.751   907.521    138.652  646.228    109.124  82.191  7.0198  69.753  6.5233  12.43787       9.582833 
1 1 1 -23 -6  32 o 12.448  5.8515  -40.2154   45.174   86.683     96.994   -75.3670   51.049   26.232  10.344  11.825  5.7324  14.40728       11.82640 
1 1 1 -23 -6  33 o 56.960  6.4184  432.602    87.161   395.415    112.930  487.391    137.078  52.029  9.2861  56.777  10.331  -4.748333      13.89078 
1 1 1 -23 -6  34 o 34.552  9.3390  178.976    80.162   183.970    116.169  174.437    110.756  33.610  11.661  32.960  11.389  0.6494904      16.29980 
1 1 1 -23 -6  35 o 24.045  9.9887  58.025     95.984   0.0000     0.0000   58.025     95.984   ?       ?       24.045  9.9887  0.000000       9.988735 
1 1 1 -23 -6  36 o 24.350  8.1835  82.835     57.121   0.0000     0.0000   82.835     57.121   ?       ?       24.350  8.1835  0.000000       8.183540 
1 1 1 -23 -6  37 o 24.641  8.8271  84.456     66.968   0.0000     0.0000   84.456     66.968   ?       ?       24.641  8.8271  0.000000       8.827077 
1 1 1 -23 -6  38 o 16.953  6.9741  21.308     46.165   -35.9295   80.358   49.504     56.401   17.356  8.0395  20.611  7.9564  -3.254145      11.31098 
1 1 1 -23 -6  39 o 33.950  6.7627  160.756    53.752   220.579    83.487   118.401    70.248   37.985  9.1638  27.920  9.0641  10.06533       12.88923 
1 1 1 -23 -6  40 o 14.587  6.6512  -18.8734   52.089   -164.8345  160.984  -1.8052    55.050   20.098  9.8381  16.086  7.1233  4.011942       12.14620 
1 1 1 -23 -6  41 o 32.427  9.3952  168.085    78.197   177.728    197.545  166.293    85.152   30.652  13.538  31.787  9.9410  -1.134480      16.79573 
1 1 1 -23 -6  42 o 14.259  6.3826  -7.3063    45.432   -26.6449   71.818   5.5961     58.662   16.486  7.6237  16.845  7.4113  -0.3587704     10.63240 
1 1 1 -23 -6  43 o 24.581  7.6153  90.484     50.104   103.378    73.888   79.507     68.172   25.569  9.2576  23.310  8.8085  2.258837       12.77866 
1 1 1 -23 -6  44 o 33.863  6.9346  166.844    55.061   128.221    79.321   202.762    76.492   27.560  9.6315  35.525  8.8942  -7.965212      13.11001 
1 1 1 -23 -6  45 o 29.079  7.4951  128.827    53.217   146.385    76.872   112.668    73.746   29.202  9.4819  26.005  9.2686  3.197557       13.25947 
1 1 1 -23 -6  46 o 16.658  7.3207  11.084     57.091   5.8482     72.766   19.468     92.082   17.779  8.0082  19.866  8.9728  -2.087177      12.02677 
1 1 1 -23 -6  47 o 25.305  8.3933  105.024    60.116   169.567    76.247   -1.0184    97.732   31.159  9.3439  19.158  8.8711  12.00096       12.88429 
1 1 1 -23 -6  48 o 28.074  8.4607  131.298    62.400   68.632     79.889   229.352    99.932   21.852  9.0982  34.175  10.782  -12.32274      14.10749 
1 1 1 -23 -6  49 o 15.369  7.1711  -24.5105   65.772   -50.7100   75.388   58.989     134.585  15.263  7.2858  22.830  10.514  -7.566788      12.79199 
1 1 1 -23 -6  50 o 31.727  9.2644  176.754    75.770   180.689    84.781   161.138    168.895  31.152  9.9417  26.703  12.098  4.449585       15.65882 
1 1 1 -23 -6  51 o 22.772  8.2832  82.752     59.252   122.798    74.130   11.902     98.600   26.351  9.3033  19.616  9.0213  6.734688       12.95896 
1 1 1 -23 -6  52 o 22.077  8.0778  75.976     56.468   56.295     71.411   108.818    92.248   20.672  8.6040  24.755  9.9784  -4.082659      13.17561 
1 1 1 -23 -6  53 o 22.588  10.237  63.829     121.043  426.768    310.650  -1.1358    131.430  30.178  14.507  20.669  9.7952  9.509413       17.50433 
1 1 1 -23 -6  54 f 20.993  9.7797  27.733     121.559  2155.17    336.090  -292.4581  130.386  92.215  15.576  14.656  7.4133  77.55856       17.24975 
1 1 1 -23 -6  55 o 19.217  9.1167  -6.9385    114.420  -330.9828  311.657  43.543     123.010  ?       ?       21.249  9.8786  0.000000       9.878626 
1 1 1 -23 -5  1  o 23.068  4.7768  69.448     25.856   57.447     34.252   85.346     39.424   20.843  6.2654  25.134  6.4364  -4.291357      8.982375 
1 1 1 -23 -5  2  o 30.338  7.3744  126.503    53.755   87.576     99.413   142.588    63.903   26.951  10.519  31.879  8.2113  -4.927696      13.34421 
1 1 1 -23 -5  3  o 40.451  6.4774  216.557    61.431   236.757    114.901  208.471    72.693   39.309  11.389  38.885  7.9723  0.4245338      13.90163 
1 1 1 -23 -5  4  o 30.745  4.7417  121.282    34.235   76.538     45.849   177.662    51.467   23.903  7.2632  36.834  5.9624  -12.93031      9.397101 
1 1 1 -23 -5  5  o 48.701  3.9218  296.430    45.951   335.710    66.225   259.963    63.810   51.196  5.4133  44.699  6.0379  6.497128       8.109240 
1 1 1 -23 -5  6  o 45.302  4.5025  258.917    48.836   207.598    70.086   307.349    68.087   39.129  7.6562  48.778  5.8707  -9.649220      9.647943 
1 1 1 -23 -5  7  o 54.975  4.2563  378.521    56.333   399.973    81.794   359.164    77.697   55.595  6.1674  52.635  6.2027  2.959736       8.747005 
1 1 1 -23 -5  8  o 70.152  4.2041  614.258    71.231   596.784    98.655   633.287    102.954  68.151  6.0282  70.166  6.1081  -2.014923      8.581849 
1 1 1 -23 -5  9  o 68.752  4.3109  590.582    71.551   571.616    98.267   611.984    104.386  66.654  6.1451  68.875  6.3166  -2.220367      8.812643 
1 1 1 -23 -5  10 o 57.411  4.4479  413.046    61.476   434.754    88.794   393.060    85.199   57.940  6.4242  55.018  6.5082  2.921719       9.144753 
1 1 1 -23 -5  11 o 23.704  7.4033  73.715     47.245   65.221     73.371   79.731     61.751   24.156  9.1358  24.936  8.5081  -0.7808762     12.48400 
1 1 1 -23 -5  12 o 66.775  4.9155  561.266    79.083   661.451    132.714  506.107    98.476   70.616  7.8799  62.498  6.5933  8.117710       10.27444 
1 1 1 -23 -5  13 o 86.127  6.0600  948.112    125.835  947.705    159.969  948.773    203.800  84.659  7.8779  82.258  10.446  2.401451       13.08392 
1 1 1 -23 -5  14 o 78.108  6.2286  782.626    117.063  752.903    149.321  830.028    188.569  75.032  8.3431  76.987  10.357  -1.954887      13.29975 
1 1 1 -23 -5  15 o 88.846  6.1008  1009.39    130.722  1059.02    166.051  928.499    211.989  89.677  7.7062  80.665  11.127  9.011566       13.53500 
1 1 1 -23 -5  16 o 62.564  4.7785  492.071    71.992   534.387    105.315  454.953    98.636   64.055  6.8840  58.970  7.0323  5.085094       9.840852 
1 1 1 -23 -5  17 o 26.857  7.9484  97.301     55.443   92.479     81.197   101.514    75.889   27.028  9.7158  27.693  9.4320  -0.6645489     13.54102 
1 1 1 -23 -5  18 o 62.045  5.2874  488.180    78.840   471.869    110.680  504.982    112.331  59.492  7.8598  61.697  7.6691  -2.204956      10.98137 
1 1 1 -23 -5  19 o 77.422  4.7866  753.311    89.479   787.922    127.662  719.888    125.451  77.826  6.8294  74.205  7.0523  3.621414       9.817094 
1 1 1 -23 -5  20 o 77.952  4.7211  763.442    88.875   648.312    125.482  879.331    125.896  70.006  7.5043  82.575  6.3317  -12.56947      9.818539 
1 1 1 -23 -5  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -5  22 o 31.646  13.525  97.484     184.195  97.484     184.195  0.0000     0.0000   31.646  13.525  ?       ?       0.000000       13.52546 
1 1 1 -23 -5  23 o 16.788  8.4297  -378.9279  151.136  -378.9279  151.136  0.0000     0.0000   16.788  8.4297  ?       ?       0.000000       8.429699 
1 1 1 -23 -5  24 o 37.555  7.8556  193.666    69.281   305.089    98.039   82.514     97.919   46.634  8.9902  26.671  10.431  19.96320       13.77062 
1 1 1 -23 -5  25 o 51.748  6.1583  349.470    75.807   357.007    105.655  341.473    108.831  50.460  8.9573  48.914  9.5122  1.546234       13.06583 
1 1 1 -23 -5  26 o 26.920  7.7563  100.053    53.428   147.109    97.730   79.994     63.808   31.673  10.704  24.709  8.6383  6.964018       13.75482 
1 1 1 -23 -5  27 o 32.155  6.6070  139.353    49.824   61.161     99.998   165.175    57.465   25.071  10.283  34.867  7.0351  -9.795324      12.45937 
1 1 1 -23 -5  28 o 49.654  5.3387  318.113    63.311   484.551    108.308  231.721    78.031   59.672  7.6570  40.692  8.1867  18.98055       11.20944 
1 1 1 -23 -5  29 f 61.676  4.9931  486.520    74.080   699.690    124.119  368.563    92.328   72.156  7.1848  51.958  7.5440  20.19776       10.41792 
1 1 1 -23 -5  30 o 69.448  4.7871  614.521    80.174   832.047    133.085  490.602    100.448  78.768  7.0374  60.422  6.9799  18.34625       9.911843 
1 1 1 -23 -5  31 o 97.640  4.5266  1205.64    107.242  1509.00    167.355  994.284    139.692  106.827 6.4872  86.399  6.7162  20.42824       9.337614 
1 1 1 -23 -5  32 o 36.762  6.6542  183.338    57.170   189.576    108.442  180.937    67.279   34.472  11.265  35.743  7.9616  -1.271523      13.79462 
1 1 1 -23 -5  33 o 15.326  7.1498  -44.3646   65.338   -58.6664   104.680  -35.2367   83.629   19.177  8.9800  17.981  8.2836  1.196295       12.21714 
1 1 1 -23 -5  34 o 36.030  11.712  214.475    117.282  0.0000     0.0000   214.475    117.282  ?       ?       36.030  11.712  0.000000       11.71249 
1 1 1 -23 -5  35 o 16.638  7.8544  -63.8987   82.991   0.0000     0.0000   -63.8987   82.991   ?       ?       16.638  7.8544  0.000000       7.854371 
1 1 1 -23 -5  36 o 36.998  8.5179  200.007    74.886   0.0000     0.0000   200.007    74.886   ?       ?       36.998  8.5179  0.000000       8.517942 
1 1 1 -23 -5  37 o 19.050  7.5187  37.116     51.283   103.667    87.392   2.1627     63.335   26.806  10.005  17.531  7.7072  9.275074       12.62959 
1 1 1 -23 -5  38 o 53.265  4.9485  368.337    63.225   295.245    95.108   426.217    84.634   44.341  9.1437  56.221  6.3133  -11.88047      11.11150 
1 1 1 -23 -5  39 o 24.577  8.7467  86.521     65.651   86.529     171.178  86.520     71.087   27.752  12.408  24.679  9.0582  3.073320       15.36264 
1 1 1 -23 -5  40 f 35.845  9.0642  198.813    78.884   116.750    185.166  217.008    87.192   28.752  12.877  36.971  9.6255  -8.218172      16.07664 
1 1 1 -23 -5  41 o 30.962  9.0102  150.922    71.778   112.060    182.488  158.035    78.071   28.095  12.666  31.319  9.4692  -3.224134      15.81416 
1 1 1 -23 -5  42 o 27.818  7.4050  114.523    50.866   97.197     75.345   129.033    68.950   25.160  9.3100  28.493  8.9510  -3.333149      12.91492 
1 1 1 -23 -5  43 o 32.852  6.9669  156.581    53.813   194.303    79.128   124.123    73.399   34.538  9.2548  27.560  9.2765  6.978752       13.10363 
1 1 1 -23 -5  44 o 15.389  6.6275  10.306     44.844   -42.7024   67.025   53.265     60.338   14.998  7.0738  20.457  8.1296  -5.458817      10.77632 
1 1 1 -23 -5  45 f 44.257  5.9380  272.827    62.157   181.731    91.035   352.386    85.075   31.528  10.322  48.706  7.4343  -17.17860      12.72087 
1 1 1 -23 -5  46 o 18.193  7.6523  31.762     57.391   66.205     72.779   -24.8750   93.326   21.704  8.8223  18.010  8.4480  3.693617       12.21482 
1 1 1 -23 -5  47 o 24.922  8.6233  103.039    63.508   123.975    83.509   74.323     97.804   26.244  9.7834  22.775  9.7981  3.468197       13.84620 
1 1 1 -23 -5  48 o 23.955  8.3790  93.838     60.039   116.956    76.467   56.679     96.948   25.733  9.4023  21.672  9.5315  4.060791       13.38852 
1 1 1 -23 -5  49 o 21.593  8.7072  68.978     70.271   89.726     77.771   -23.2896   164.007  23.345  9.2446  21.436  10.362  1.908493       13.88658 
1 1 1 -23 -5  50 o 15.377  7.1772  -25.0922   65.977   -8.6560    75.132   -80.4754   137.917  17.037  7.8499  19.003  9.2595  -1.965822      12.13921 
1 1 1 -23 -5  51 o 22.509  8.2553  79.892     59.028   87.793     73.943   66.011     98.010   23.237  9.0710  22.226  9.6837  1.011618       13.26867 
1 1 1 -23 -5  52 o 15.464  6.9656  -1.6161    55.061   -9.2089    66.701   14.626     97.555   16.242  7.4511  19.678  9.0216  -3.436806      11.70074 
1 1 1 -23 -5  53 f 21.620  9.8009  48.896     111.040  258.402    310.889  18.262     118.881  27.444  13.483  20.729  9.6616  6.715076       16.58705 
1 1 1 -23 -5  54 o 20.976  9.5805  41.810     108.653  -495.4621  284.358  133.662    117.575  ?       ?       25.455  10.841  0.000000       10.84090 
1 1 1 -23 -5  55 o 30.675  12.007  245.089    129.829  294.321    274.047  230.843    147.422  26.785  13.052  28.669  12.173  -1.884483      17.84703 
1 1 1 -23 -4  1  o 30.230  7.1931  125.046    51.997   156.835    95.570   111.679    61.971   32.571  10.572  28.254  8.4128  4.316370       13.51094 
1 1 1 -23 -4  2  o 35.657  7.0978  171.870    59.250   141.018    107.780  185.232    70.929   31.356  11.202  36.473  8.2124  -5.116926      13.88984 
1 1 1 -23 -4  3  o 38.775  4.0573  189.112    37.607   128.523    53.016   250.477    53.355   30.724  7.2318  44.281  5.0565  -13.55722      8.824237 
1 1 1 -23 -4  4  o 73.183  3.6506  663.291    64.825   644.284    92.243   681.837    91.119   71.104  5.3866  73.302  5.1558  -2.198265      7.456400 
1 1 1 -23 -4  5  o 89.309  3.8357  989.183    83.119   884.684    117.206  1094.91    117.893  83.096  5.8504  92.953  5.2485  -9.857040      7.859627 
1 1 1 -23 -4  6  o 36.848  5.2750  174.438    45.818   111.073    67.024   230.026    62.776   28.435  8.8076  41.924  6.3718  -13.48845      10.87077 
1 1 1 -23 -4  7  o 46.187  4.8654  270.165    53.705   349.855    80.857   207.256    71.841   51.787  6.5836  39.092  7.8466  12.69484       10.24271 
1 1 1 -23 -4  8  o 104.591 4.2290  1360.22    107.324  1212.44    152.547  1505.06    151.023  96.957  6.5222  108.779 5.7421  -11.82282      8.689730 
1 1 1 -23 -4  9  o 48.426  5.3196  298.574    61.476   299.719    85.385   297.341    88.585   47.366  7.6933  46.971  8.0630  0.3948860      11.14445 
1 1 1 -23 -4  10 o 93.285  4.2915  1081.84    97.137   1052.80    137.318  1110.93    137.427  90.601  6.2853  93.216  6.1098  -2.614906      8.765523 
1 1 1 -23 -4  11 o 42.075  5.8818  228.268    58.405   191.744    87.607   257.488    78.360   36.857  9.6739  43.912  7.6315  -7.054947      12.32167 
1 1 1 -23 -4  12 o 24.108  9.4094  58.858     79.553   43.550     100.369  84.726     130.473  24.637  10.223  29.072  11.814  -4.435162      15.62321 
1 1 1 -23 -4  13 o 31.414  9.6960  137.008    81.308   105.949    103.632  186.744    131.139  29.180  10.895  35.879  12.393  -6.698660      16.50071 
1 1 1 -23 -4  14 o 31.755  9.8235  140.406    83.407   158.630    107.324  112.615    132.536  33.513  11.218  30.851  12.115  2.661938       16.51109 
1 1 1 -23 -4  15 o 29.025  7.6492  113.970    54.629   129.299    81.790   101.623    73.403   30.629  9.7638  27.692  9.2770  2.936739       13.46829 
1 1 1 -23 -4  16 o 49.987  5.2559  317.284    62.794   236.498    89.347   396.138    88.272   41.256  9.1638  55.175  6.7332  -13.91899      11.37152 
1 1 1 -23 -4  17 o 88.017  4.2112  962.287    89.936   880.291    128.093  1042.01    126.303  82.703  6.4339  90.505  5.7817  -7.802246      8.649986 
1 1 1 -23 -4  18 o 42.198  6.3680  232.147    63.173   289.086    91.244   179.724    87.550   46.063  8.4761  35.570  9.8210  10.49251       12.97286 
1 1 1 -23 -4  19 f 107.137 4.7753  1436.94    124.137  1561.27    195.938  1353.58    160.447  109.096 7.4464  102.488 6.4855  6.608047       9.874757 
1 1 1 -23 -4  20 o 45.966  10.178  302.566    110.522  47.433     205.241  406.765    131.163  30.910  13.718  53.234  10.528  -22.32443      17.29176 
1 1 1 -23 -4  21 o 36.349  14.649  188.700    198.781  188.700    198.781  0.0000     0.0000   36.349  14.649  ?       ?       0.000000       14.64918 
1 1 1 -23 -4  22 o 95.117  12.756  1375.26    286.986  1375.26    286.986  0.0000     0.0000   95.117  12.756  ?       ?       0.000000       12.75625 
1 1 1 -23 -4  23 o 85.956  5.6432  944.579    117.042  837.932    156.158  1081.29    176.804  78.657  8.3078  89.502  8.2336  -10.84518      11.69665 
1 1 1 -23 -4  24 o 27.455  8.7413  103.830    65.573   59.719     92.435   148.516    93.035   24.727  9.9809  32.016  10.433  -7.289707      14.43832 
1 1 1 -23 -4  25 o 34.648  6.8357  161.460    55.427   177.158    86.498   150.524    72.197   34.840  9.8135  32.525  8.8930  2.315105       13.24347 
1 1 1 -23 -4  26 o 31.122  7.1436  132.311    52.803   32.139     82.475   201.895    68.739   21.936  9.1974  38.354  7.6545  -16.41767      11.96595 
1 1 1 -23 -4  27 o 59.244  4.9696  447.592    70.778   413.040    105.838  475.545    95.196   54.695  8.2300  59.962  6.6553  -5.267086      10.58427 
1 1 1 -23 -4  28 o 100.131 4.3698  1260.16    106.167  1212.94    155.854  1301.05    145.016  95.783  6.7492  100.073 5.9999  -4.290024      9.030540 
1 1 1 -23 -4  29 o 42.545  6.1972  239.735    62.096   277.511    100.214  216.191    79.114   43.352  9.7619  38.918  8.6064  4.433815       13.01402 
1 1 1 -23 -4  30 o 14.860  6.5944  -8.4318    47.423   -26.4353   93.802   -2.2504    54.964   19.555  8.9201  16.397  7.1950  3.157747       11.46018 
1 1 1 -23 -4  31 o 23.461  7.7296  74.649     51.016   128.043    102.559  57.093     58.808   29.559  10.875  21.841  8.1966  7.718449       13.61836 
1 1 1 -23 -4  32 o 24.545  9.2403  77.322     74.853   95.529     102.259  56.304     109.867  27.056  10.637  24.940  10.544  2.116896       14.97719 
1 1 1 -23 -4  33 o 15.926  7.3134  -30.0205   64.470   -40.6506   96.294   -21.3846   86.793   19.063  8.8197  18.961  8.6225  0.1017246      12.33429 
1 1 1 -23 -4  34 o 35.057  12.123  205.986    125.505  0.0000     0.0000   205.986    125.505  ?       ?       35.057  12.123  0.000000       12.12287 
1 1 1 -23 -4  35 o 31.623  8.3863  145.803    65.399   0.0000     0.0000   145.803    65.399   ?       ?       31.623  8.3863  0.000000       8.386303 
1 1 1 -23 -4  36 o 32.522  8.6214  156.253    69.134   476.867    266.030  133.032    71.594   43.686  17.162  29.802  9.0808  13.88390       19.41619 
1 1 1 -23 -4  37 o 13.998  6.3710  -19.1355   47.519   20.506     83.195   -38.3303   57.892   20.615  8.9522  14.466  6.7423  6.149686       11.20713 
1 1 1 -23 -4  38 o 27.957  7.2486  111.537    49.582   43.798     75.319   163.339    65.865   21.427  8.8703  33.323  8.2016  -11.89608      12.08090 
1 1 1 -23 -4  39 o 15.408  7.1521  -34.2260   64.086   561.800    166.618  -137.7121  69.427   56.640  12.462  12.389  6.1390  44.25087       13.89206 
1 1 1 -23 -4  40 o 29.077  9.2435  132.820    73.345   109.704    179.171  137.474    80.389   28.275  12.664  29.294  9.7054  -1.019058      15.95554 
1 1 1 -23 -4  41 o 25.550  7.5666  96.415     50.232   71.363     81.627   111.684    63.728   23.323  9.3916  26.922  8.6224  -3.598640      12.74944 
1 1 1 -23 -4  42 o 27.785  7.5348  115.235    52.079   123.919    77.498   108.083    70.326   27.576  9.5268  26.176  9.0734  1.400341       13.15620 
1 1 1 -23 -4  43 o 11.326  5.3938  -41.5980   40.812   -1.0460    66.802   -65.7467   51.550   17.138  7.7005  11.988  5.7985  5.149924       9.639503 
1 1 1 -23 -4  44 o 19.507  7.4530  49.683     49.146   95.107     78.803   20.770     62.870   24.487  9.4181  18.031  7.8060  6.456589       12.23246 
1 1 1 -23 -4  45 o 14.615  6.3227  7.7555     41.187   -19.5446   65.707   25.424     52.860   15.815  7.3059  17.383  7.3296  -1.567679      10.34883 
1 1 1 -23 -4  46 o 12.666  6.0615  -50.7362   52.896   -47.3461   67.254   -56.2346   85.651   14.638  6.9573  16.183  7.7362  -1.545534      10.40447 
1 1 1 -23 -4  47 o 19.689  8.0841  48.212     61.882   3.3626     81.388   109.672    95.274   18.184  8.3000  24.917  10.107  -6.732916      13.07795 
1 1 1 -23 -4  48 o 30.056  9.4940  161.829    77.469   142.705    86.349   240.728    175.387  27.599  10.005  29.713  12.950  -2.113880      16.36474 
1 1 1 -23 -4  49 o 19.919  8.4140  46.840     69.859   5.5377     77.089   236.540    165.211  17.902  8.1353  29.867  12.788  -11.96411      15.15671 
1 1 1 -23 -4  50 o 34.292  7.9884  186.729    65.233   196.917    82.429   169.656    106.708  33.156  9.6576  28.717  10.980  4.439693       14.62262 
1 1 1 -23 -4  51 o 17.287  7.4305  22.929     56.163   50.504     68.190   -35.2261   99.030   20.146  8.3982  17.893  8.4864  2.252748       11.93941 
1 1 1 -23 -4  52 o 31.431  11.455  213.607    113.387  286.098    207.452  182.726    135.402  30.133  13.552  28.282  11.816  1.850931       17.97980 
1 1 1 -23 -4  53 o 30.844  11.542  213.890    116.437  492.645    228.432  116.041    135.339  35.595  15.134  24.809  11.067  10.78545       18.74860 
1 1 1 -23 -4  54 o 22.845  11.218  22.234     214.337  22.234     214.337  0.0000     0.0000   22.845  11.218  ?       ?       0.000000       11.21752 
1 1 1 -23 -3  1  o 68.796  5.6374  608.265    93.277   501.759    158.778  664.393    115.264  57.381  11.798  71.065  6.7662  -13.68406      13.60059 
1 1 1 -23 -3  2  o 22.610  6.8176  67.883     40.509   178.431    96.115   44.005     44.670   34.779  10.505  19.644  7.1850  15.13429       12.72690 
1 1 1 -23 -3  3  o 31.022  4.8572  123.609    35.362   115.322    48.339   133.150    51.865   29.221  6.9238  31.414  6.9851  -2.193235      9.835180 
1 1 1 -23 -3  4  o 46.254  4.0925  268.029    45.456   263.549    63.246   272.817    65.377   45.105  5.9220  45.855  6.0216  -0.7493477     8.445638 
1 1 1 -23 -3  5  o 60.016  4.4251  451.731    63.986   450.670    96.772   452.555    85.290   58.595  6.9415  59.270  6.0139  -0.6752090     9.184340 
1 1 1 -23 -3  6  o 32.129  6.3801  136.434    47.985   64.559     76.188   183.689    61.777   24.227  9.2741  37.083  7.1246  -12.85586      11.69488 
1 1 1 -23 -3  7  o 30.508  6.5801  123.682    47.278   123.772    74.451   123.621    61.201   29.933  9.2846  30.030  8.1782  -0.9779930E-01 12.37284 
1 1 1 -23 -3  8  o 48.350  4.8942  295.481    56.627   300.088    85.711   291.913    75.434   47.394  7.7191  47.217  6.7787  0.1765404      10.27304 
1 1 1 -23 -3  9  o 19.133  7.4085  34.314     49.015   40.363     67.254   27.460     71.585   21.537  8.5752  20.939  8.6564  0.5973854      12.18469 
1 1 1 -23 -3  10 o 61.830  4.6640  479.451    69.456   465.200    95.959   495.132    100.662  59.871  6.7215  61.718  6.8368  -1.846565      9.587519 
1 1 1 -23 -3  11 o 14.797  6.5824  -12.8480   47.523   -140.9012  63.772   147.072    71.267   11.869  5.8817  32.633  8.7994  -20.76458      10.58411 
1 1 1 -23 -3  12 o 43.397  8.0336  253.413    81.477   215.907    98.408   335.161    145.286  38.908  10.272  47.146  12.498  -8.237911      16.17778 
1 1 1 -23 -3  13 o 24.411  8.8879  70.691     68.241   82.356     81.463   43.247     124.952  26.239  9.6862  26.490  11.225  -0.2518158     14.82627 
1 1 1 -23 -3  14 o 29.891  7.7884  121.043    57.056   119.268    91.967   122.153    72.750   29.902  10.375  29.872  9.1634  0.2952194E-01  13.84257 
1 1 1 -23 -3  15 o 28.409  7.9461  109.277    56.918   65.938     74.258   171.004    88.623   24.344  9.1948  34.783  9.9801  -10.43841      13.57003 
1 1 1 -23 -3  16 o 53.142  5.5527  359.806    70.541   339.390    92.057   388.845    109.790  50.489  7.7631  53.493  8.7621  -3.004406      11.70635 
1 1 1 -23 -3  17 o 15.963  7.0501  -9.7364    53.573   -95.7629   75.813   76.067     75.714   15.001  7.1995  25.304  9.3388  -10.30322      11.79177 
1 1 1 -23 -3  18 o 49.454  5.7327  313.470    67.513   253.652    97.506   368.557    93.571   42.413  9.6872  52.719  7.5288  -10.30573      12.26884 
1 1 1 -23 -3  19 o 33.096  8.3341  150.919    66.887   174.448    85.327   113.415    107.726  35.062  9.7015  29.757  11.108  5.304886       14.74818 
1 1 1 -23 -3  20 o 25.804  12.015  -73.8732   183.120  -73.8732   183.120  0.0000     0.0000   25.804  12.015  ?       ?       0.000000       12.01481 
1 1 1 -23 -3  21 o 55.367  16.074  537.700    228.692  537.700    228.692  0.0000     0.0000   55.367  16.074  ?       ?       0.000000       16.07438 
1 1 1 -23 -3  22 o 45.749  16.025  374.429    219.630  374.429    219.630  0.0000     0.0000   45.749  16.025  ?       ?       0.000000       16.02462 
1 1 1 -23 -3  23 o 29.101  8.4903  117.694    63.661   76.172     84.695   171.620    96.519   25.548  9.7785  34.215  10.565  -8.667688      14.39552 
1 1 1 -23 -3  24 o 16.535  7.1233  3.2394     51.840   114.995    80.796   -74.9616   67.586   28.784  9.7325  14.518  6.9212  14.26661       11.94258 
1 1 1 -23 -3  25 o 70.696  4.6039  630.495    78.543   664.060    116.983  602.945    105.983  70.935  6.8834  67.850  6.5178  3.084862       9.479557 
1 1 1 -23 -3  26 o 86.949  4.3769  950.290    92.045   1004.44    135.308  903.648    125.579  87.693  6.4033  83.289  6.2597  4.403885       8.954697 
1 1 1 -23 -3  27 o 46.462  5.6798  280.643    62.699   360.774    93.869   216.095    84.249   51.382  7.7720  38.727  9.1169  12.65413       11.98005 
1 1 1 -23 -3  28 o 52.551  5.4151  356.712    68.059   469.107    102.662  268.584    90.906   58.933  7.3384  43.333  8.9424  15.59963       11.56799 
1 1 1 -23 -3  29 o 37.871  6.8638  194.354    60.750   302.362    93.182   114.508    80.118   46.185  8.6326  28.305  9.6910  17.87991       12.97832 
1 1 1 -23 -3  30 o 23.041  7.9070  70.364     53.343   -25.6495   78.943   151.036    72.362   18.005  8.2014  32.170  8.9458  -14.16512      12.13632 
1 1 1 -23 -3  31 o 20.365  7.6920  47.426     51.968   84.616     83.573   23.979     66.358   25.580  9.7320  19.602  8.2359  5.978455       12.74919 
1 1 1 -23 -3  32 o 15.200  6.9919  -30.5635   59.277   -23.9669   79.464   -38.8396   89.007   18.080  8.2327  18.425  8.5086  -0.3453293     11.83945 
1 1 1 -23 -3  33 o 29.274  11.453  123.074    118.077  0.0000     0.0000   123.074    118.077  ?       ?       29.274  11.453  0.000000       11.45305 
1 1 1 -23 -3  34 o 32.287  11.645  167.521    116.742  0.0000     0.0000   167.521    116.742  ?       ?       32.287  11.645  0.000000       11.64473 
1 1 1 -23 -3  35 o 30.141  9.7731  138.121    81.682   -388.8481  231.137  213.323    87.316   21.355  10.680  37.486  9.5676  -16.13074      14.33867 
1 1 1 -23 -3  36 o 39.806  7.0392  219.211    65.501   200.536    91.811   238.570    93.477   35.738  10.126  39.356  9.8205  -3.617931      14.10580 
1 1 1 -23 -3  37 o 29.562  7.7622  126.330    56.390   98.444     78.086   156.722    81.519   26.122  9.5079  31.743  9.6937  -5.621059      13.57822 
1 1 1 -23 -3  38 o 17.486  8.0501  -28.1085   78.788   -34.2896   171.579  -26.4569   88.692   24.041  11.332  18.571  8.5463  5.470234       14.19376 
1 1 1 -23 -3  39 o 32.566  10.302  174.368    91.185   264.738    181.116  143.684    105.537  35.340  14.072  29.517  10.999  5.822592       17.86061 
1 1 1 -23 -3  40 o 45.178  9.6492  321.879    102.560  208.036    199.071  363.013    119.663  31.874  13.844  46.668  10.784  -14.79470      17.54894 
1 1 1 -23 -3  41 o 10.538  5.1995  -91.1969   47.905   -95.1003   69.966   -87.7521   65.729   13.572  6.6090  13.269  6.4491  0.3021593      9.234172 
1 1 1 -23 -3  42 f 25.734  8.2064  101.718    57.775   -5.8396    77.230   238.401    87.062   17.968  8.1564  38.353  9.4230  -20.38567      12.46276 
1 1 1 -23 -3  43 o 43.187  6.5552  264.180    66.534   237.731    92.839   292.108    95.400   37.251  10.043  42.208  9.5395  -4.957706      13.85134 
1 1 1 -23 -3  44 o 34.587  7.5126  180.201    61.244   139.262    82.669   230.002    91.178   28.224  9.8344  36.317  10.020  -8.093136      14.04008 
1 1 1 -23 -3  45 o 16.791  7.2772  15.981     54.763   -13.5765   70.074   62.358     87.776   16.531  7.6035  22.023  9.3727  -5.491697      12.06903 
1 1 1 -23 -3  46 o 20.903  8.0794  62.846     58.216   94.459     74.799   14.277     92.715   23.946  9.1838  19.535  8.8943  4.411188       12.78478 
1 1 1 -23 -3  47 f 12.100  5.8202  -53.8421   50.197   -55.0351   61.660   -51.4976   86.436   13.600  6.5181  16.328  7.7961  -2.727787      10.16188 
1 1 1 -23 -3  48 o 27.083  9.3929  130.740    75.371   143.073    85.241   86.547     161.359  27.686  9.9545  24.341  11.315  3.345102       15.07069 
1 1 1 -23 -3  49 o 18.564  8.0837  28.239     68.211   55.343     74.817   -105.2280  166.025  20.756  8.7343  19.884  9.7853  0.8718204      13.11635 
1 1 1 -23 -3  50 o 16.945  7.3709  17.674     56.594   34.209     69.056   -16.1479   98.762   19.047  8.2134  18.569  8.7038  0.4781456      11.96733 
1 1 1 -23 -3  51 o 36.430  7.8045  207.289    66.909   127.925    84.235   342.961    110.136  26.461  9.8334  43.100  10.604  -16.63948      14.46172 
1 1 1 -23 -3  52 o 20.073  9.2720  15.153     105.803  -24.0801   210.463  28.421     122.393  22.660  11.125  21.303  9.8868  1.357121       14.88300 
1 1 1 -23 -3  53 o 20.927  10.383  -96.9853   201.082  -96.9853   201.082  0.0000     0.0000   20.927  10.383  ?       ?       0.000000       10.38334 
1 1 1 -23 -3  54 o 29.251  11.637  211.138    123.773  195.098    235.702  217.245    145.439  25.761  12.445  28.350  12.065  -2.589264      17.33356 
1 1 1 -23 -2  1  o 78.186  4.6789  770.626    88.357   598.065    176.057  828.721    102.153  62.734  12.003  80.705  5.2451  -17.97088      13.09931 
1 1 1 -23 -2  2  o 55.247  3.8845  380.832    51.742   376.660    71.654   385.378    74.795   54.190  5.5269  54.718  5.7180  -0.5272675     7.952476 
1 1 1 -23 -2  3  o 35.416  4.5697  159.316    38.353   172.828    53.199   144.692    55.344   36.242  6.2769  32.732  7.1670  3.510017       9.527048 
1 1 1 -23 -2  4  o 52.345  4.4426  344.292    55.893   288.931    83.382   389.464    75.319   46.372  7.6794  55.097  5.7172  -8.725166      9.573941 
1 1 1 -23 -2  5  o 110.820 4.1134  1525.94    110.607  1587.74    159.186  1468.24    153.798  111.526 5.9036  107.207 5.9355  4.318085       8.371512 
1 1 1 -23 -2  6  f 87.451  4.0641  949.078    86.237   1018.46    124.803  885.679    119.298  89.412  5.7836  83.245  5.9454  6.166924       8.294446 
1 1 1 -23 -2  7  f 38.616  5.4427  191.344    49.582   185.724    74.263   195.863    66.600   36.738  8.4998  38.235  7.4465  -1.497173      11.30033 
1 1 1 -23 -2  8  o 36.228  5.7919  169.831    49.199   232.066    73.551   119.435    66.186   41.679  7.5509  29.534  8.6686  12.14517       11.49614 
1 1 1 -23 -2  9  o 68.435  4.4615  585.170    73.679   628.020    101.609  537.656    106.996  70.085  6.0339  64.264  6.9736  5.820480       9.221661 
1 1 1 -23 -2  10 o 26.240  7.7272  92.060     52.514   122.848    70.461   53.588     78.764   29.949  8.9826  23.655  9.3236  6.294693       12.94670 
1 1 1 -23 -2  11 o 52.977  7.0326  366.882    88.166   378.539    108.741  344.516    150.621  52.813  8.7950  47.658  12.768  5.155342       15.50396 
1 1 1 -23 -2  12 o 49.285  7.5311  321.370    87.203   316.513    107.082  330.933    150.255  47.749  9.5757  46.644  12.861  1.105244       16.03406 
1 1 1 -23 -2  13 f 46.205  8.0674  286.447    87.154   342.678    106.964  175.372    150.333  49.990  9.1558  35.435  13.143  14.55485       16.01769 
1 1 1 -23 -2  14 o 50.772  5.1088  326.036    62.084   316.950    88.229   334.947    87.376   48.843  7.6998  50.417  7.3594  -1.573933      10.65119 
1 1 1 -23 -2  15 o 26.865  7.7424  96.907     53.232   139.317    75.851   55.749     74.723   31.712  9.2720  23.511  9.1351  8.200731       13.01616 
1 1 1 -23 -2  16 o 64.336  4.6397  518.686    71.941   461.263    102.788  573.826    100.724  59.284  7.2998  66.824  6.2860  -7.539669      9.633345 
1 1 1 -23 -2  17 o 41.349  6.7507  224.548    65.393   291.815    92.675   157.846    92.285   46.289  8.5667  33.395  10.333  12.89441       13.42268 
1 1 1 -23 -2  18 o 41.245  6.5214  222.602    63.094   211.563    89.635   233.442    88.827   38.716  9.5912  40.931  9.1712  -2.215511      13.27031 
1 1 1 -23 -2  19 o 96.497  13.244  1412.62    301.926  1412.62    301.926  0.0000     0.0000   96.497  13.244  ?       ?       0.000000       13.24431 
1 1 1 -23 -2  20 o 107.451 12.566  1725.44    321.440  1725.44    321.440  0.0000     0.0000   107.451 12.566  ?       ?       0.000000       12.56620 
1 1 1 -23 -2  21 o 56.236  16.318  560.455    235.721  560.455    235.721  0.0000     0.0000   56.236  16.318  ?       ?       0.000000       16.31753 
1 1 1 -23 -2  22 o 20.837  8.2150  40.584     61.160   93.866     88.639   -7.8330    84.496   27.252  10.095  19.907  8.8198  7.345015       13.40520 
1 1 1 -23 -2  23 f 59.237  4.9843  445.216    70.976   380.175    110.231  491.277    92.763   52.227  9.0250  61.462  6.3097  -9.235329      11.01195 
1 1 1 -23 -2  24 o 83.932  4.4334  884.535    89.968   923.346    133.840  852.541    121.519  84.056  6.6157  81.086  6.2238  2.969688       9.083174 
1 1 1 -23 -2  25 o 24.637  7.8910  81.759     53.375   40.182     85.402   108.408    68.373   22.765  9.4365  27.891  8.9309  -5.126478      12.99268 
1 1 1 -23 -2  26 o 47.170  5.6585  288.602    63.470   180.225    96.897   370.047    83.999   34.641  10.566  52.839  6.7025  -18.19746      12.51279 
1 1 1 -23 -2  27 o 90.734  4.4427  1035.24    97.809   1147.63    144.501  940.204    132.875  93.611  6.4002  84.574  6.5255  9.036461       9.140288 
1 1 1 -23 -2  28 o 67.435  5.3680  585.167    87.106   592.809    112.019  573.478    138.536  66.544  7.0449  63.377  9.2840  3.166496       11.65435 
1 1 1 -23 -2  29 o 54.074  5.6080  380.042    72.511   361.813    118.365  390.993    91.741   49.191  10.249  53.735  7.2188  -4.543953      12.53636 
1 1 1 -23 -2  30 o 59.445  4.9059  452.339    70.129   454.703    103.599  450.340    95.278   57.600  7.5979  57.871  6.9228  -0.2703133     10.27878 
1 1 1 -23 -2  31 o 31.577  9.3487  147.948    76.689   115.833    100.428  192.872    118.777  28.541  10.711  34.517  11.800  -5.975500      15.93629 
1 1 1 -23 -2  32 f 33.081  12.000  176.471    124.242  0.0000     0.0000   176.471    124.242  ?       ?       33.081  12.000  0.000000       12.00043 
1 1 1 -23 -2  33 o 51.371  12.538  441.526    154.911  0.0000     0.0000   441.526    154.911  ?       ?       51.371  12.538  0.000000       12.53795 
1 1 1 -23 -2  34 o 25.935  8.9698  95.195     68.710   293.048    209.861  71.440     72.718   38.079  15.152  23.797  9.0722  14.28181       17.66052 
1 1 1 -23 -2  35 o 53.723  5.6366  379.248    72.380   371.960    103.426  386.242    101.327  50.672  8.7269  52.039  8.3038  -1.367165      12.04622 
1 1 1 -23 -2  36 o 18.840  7.6010  32.577     53.580   61.126     72.263   -2.2822    79.851   22.724  8.9388  19.041  8.4967  3.682896       12.33278 
1 1 1 -23 -2  37 o 38.570  6.9246  206.537    62.424   180.792    84.089   238.142    93.170   34.005  9.7101  39.069  9.8352  -5.063721      13.82088 
1 1 1 -23 -2  38 o 34.232  10.327  191.038    92.935   191.809    182.173  190.767    108.054  32.180  13.590  33.407  11.255  -1.227375      17.64560 
1 1 1 -23 -2  39 o 20.440  8.8954  24.113     82.497   115.705    169.050  -4.5176    94.515   28.442  12.544  19.905  9.0310  8.536707       15.45715 
1 1 1 -23 -2  40 o 52.868  5.5782  374.179    70.476   403.810    97.025   341.083    102.540  52.712  7.8233  46.762  9.3637  5.950108       12.20176 
1 1 1 -23 -2  41 o 26.749  8.3095  109.969    59.608   58.424     83.155   164.449    85.490   22.325  9.2876  31.236  9.9848  -8.911686      13.63652 
1 1 1 -23 -2  42 o 23.731  8.2345  84.914     57.929   166.266    76.522   -24.2973   88.661   31.783  9.3187  18.089  8.4020  13.69324       12.54716 
1 1 1 -23 -2  43 o 22.984  8.1431  79.585     56.841   33.714     76.541   135.986    84.874   19.964  8.6279  28.009  9.9476  -8.045616      13.16794 
1 1 1 -23 -2  44 o 12.509  5.9769  -49.5470   50.997   -91.3420   68.244   3.3045     76.742   13.254  6.4704  18.077  8.1755  -4.822506      10.42617 
1 1 1 -23 -2  45 o 27.109  8.5514  121.089    62.866   116.804    78.805   128.591    104.257  25.956  9.5357  26.376  10.616  -0.4195766     14.27013 
1 1 1 -23 -2  46 o 23.803  8.3837  91.568     60.164   90.307     76.426   93.622     97.562   23.548  9.2138  23.934  10.017  -0.3861809     13.61027 
1 1 1 -23 -2  47 o 28.562  9.4881  146.209    76.811   111.716    87.272   264.766    161.798  25.078  9.8366  31.488  13.015  -6.410419      16.31436 
1 1 1 -23 -2  48 o 27.703  9.3008  135.920    73.782   76.529     85.460   309.773    146.215  22.522  9.3964  35.209  12.981  -12.68734      16.02473 
1 1 1 -23 -2  49 o 16.240  7.1990  7.9559     56.367   -41.8505   70.368   97.137     94.161   15.127  7.1683  24.013  9.9276  -8.886667      12.24511 
1 1 1 -23 -2  50 o 28.859  8.3971  137.410    62.347   196.581    78.867   38.814     101.805  33.645  9.3333  21.050  9.4777  12.59505       13.30179 
1 1 1 -23 -2  51 o 18.364  8.7794  -43.6573   110.352  -196.3568  201.900  21.392     131.777  19.928  9.9686  21.523  10.078  -1.594824      14.17499 
1 1 1 -23 -2  52 o 26.013  10.945  137.039    117.463  329.332    220.346  60.699     138.835  30.649  13.858  22.840  10.575  7.809084       17.43237 
1 1 1 -23 -2  53 o 23.119  11.322  31.984     213.852  31.984     213.852  0.0000     0.0000   23.119  11.322  ?       ?       0.000000       11.32170 
1 1 1 -23 -2  54 f 12.783  6.4619  -234.5196  97.871   -96.4383   186.547  -286.9615  114.964  19.880  9.8866  13.414  6.8035  6.465857       12.00134 
1 1 1 -23 -1  1  o 37.182  4.4121  175.097    39.028   122.073    53.780   234.090    56.727   29.876  7.4456  42.551  5.6327  -12.67569      9.336193 
1 1 1 -23 -1  2  o 14.643  5.6709  18.842     28.724   44.151     37.965   -15.0389   43.927   19.158  6.6652  13.956  6.2594  5.202316       9.143575 
1 1 1 -23 -1  3  o 24.476  6.5764  80.015     39.890   22.618     60.350   124.549    53.159   19.238  7.9502  30.303  7.3134  -11.06509      10.80238 
1 1 1 -23 -1  4  o 32.194  5.8796  135.506    44.236   87.601     67.262   172.019    58.723   25.920  8.8795  35.903  6.9923  -9.982697      11.30211 
1 1 1 -23 -1  5  o 22.914  7.0262  68.888     42.776   19.778     66.731   103.143    55.732   19.794  8.2845  27.566  7.9157  -7.772432      11.45823 
1 1 1 -23 -1  6  o 70.602  4.2287  621.464    72.107   627.517    105.368  616.132    98.890   69.832  6.2859  69.409  5.9287  0.4233398      8.640713 
1 1 1 -23 -1  7  o 71.035  4.2531  628.952    72.970   616.140    106.589  640.253    100.107  69.145  6.4267  70.829  5.8780  -1.683792      8.709350 
1 1 1 -23 -1  8  o 64.739  4.3936  523.448    68.607   558.418    99.386   491.614    94.825   65.915  6.2905  61.742  6.4238  4.173161       8.990817 
1 1 1 -23 -1  9  o 38.972  5.7053  195.427    52.354   242.389    77.731   156.435    70.829   42.530  7.8205  33.714  8.6237  8.815853       11.64164 
1 1 1 -23 -1  10 o 18.642  8.0693  1.6012     67.163   7.5608     79.851   -12.8119   124.179  20.512  8.8387  23.755  10.598  -3.242992      13.80026 
1 1 1 -23 -1  11 o 46.866  7.9446  293.593    87.116   394.247    107.242  98.310     149.376  54.162  8.4349  30.901  12.609  23.26122       15.17007 
1 1 1 -23 -1  12 o 32.611  9.2831  147.467    76.979   269.295    92.449   -127.9808  139.011  44.345  8.9014  21.040  10.001  23.30498       13.38852 
1 1 1 -23 -1  13 o 48.192  5.3069  294.864    61.027   332.277    86.970   258.572    85.657   50.232  7.3532  43.699  8.3834  6.533066       11.15130 
1 1 1 -23 -1  14 o 33.378  7.1145  148.515    55.857   201.181    82.108   103.146    76.209   38.131  9.0164  27.976  9.4523  10.15437       13.06294 
1 1 1 -23 -1  15 o 46.212  5.4908  272.392    60.362   153.733    87.222   381.458    83.622   33.101  10.009  54.311  6.4731  -21.20914      11.91975 
1 1 1 -23 -1  16 o 62.561  5.2069  494.634    78.323   549.834    112.935  443.482    108.715  64.773  7.3137  57.705  7.9779  7.068203       10.82300 
1 1 1 -23 -1  17 o 81.549  4.6822  832.856    92.260   927.074    132.660  744.599    128.395  84.858  6.4922  75.591  7.0828  9.267189       9.608059 
1 1 1 -23 -1  18 o 58.330  16.364  587.359    241.026  587.359    241.026  0.0000     0.0000   58.330  16.364  ?       ?       0.000000       16.36443 
1 1 1 -23 -1  19 o 28.524  12.830  4.8732     185.989  4.8732     185.989  0.0000     0.0000   28.524  12.830  ?       ?       0.000000       12.82973 
1 1 1 -23 -1  20 o 35.262  14.809  154.180    214.397  154.180    214.397  0.0000     0.0000   35.262  14.809  ?       ?       0.000000       14.80907 
1 1 1 -23 -1  21 o 23.739  8.3153  70.869     59.138   27.982     83.949   113.118    83.323   22.037  9.2615  28.833  9.8829  -6.795692      13.54424 
1 1 1 -23 -1  22 o 23.036  8.0360  66.703     55.206   -2.9935    92.461   105.314    68.819   20.978  9.2637  27.731  8.9685  -6.752834      12.89376 
1 1 1 -23 -1  23 o 42.785  5.9904  238.545    60.484   257.019    96.135   226.440    77.815   42.359  9.5780  40.515  8.1970  1.844074       12.60674 
1 1 1 -23 -1  24 o 75.500  4.5885  718.202    83.660   804.997    125.804  649.386    112.019  78.368  6.6797  70.374  6.6386  7.993782       9.417559 
1 1 1 -23 -1  25 o 86.285  4.5538  938.055    95.002   1160.05    141.725  756.911    128.024  94.502  6.2154  75.534  7.0674  18.96806       9.411698 
1 1 1 -23 -1  26 f 60.230  5.0104  462.748    72.560   484.111    110.857  446.737    95.974   59.597  7.8578  57.890  6.9729  1.706562       10.50552 
1 1 1 -23 -1  27 o 34.552  7.0973  162.964    57.511   190.567    89.954   143.881    74.794   35.744  9.9864  31.485  9.2076  4.259306       13.58342 
1 1 1 -23 -1  28 o 47.357  5.8552  293.577    65.847   333.199    101.329  264.615    86.632   48.296  8.9774  43.216  8.5644  5.079758       12.40734 
1 1 1 -23 -1  29 o 24.788  7.9159  84.665     53.742   155.627    82.419   32.175     70.884   32.313  9.7203  20.697  8.5898  11.61537       12.97182 
1 1 1 -23 -1  30 o 18.667  7.4558  31.387     50.991   32.485     78.531   30.587     67.048   21.340  8.9626  20.181  8.3630  1.159719       12.25836 
1 1 1 -23 -1  31 o 34.883  11.914  198.777    121.085  0.0000     0.0000   198.777    121.085  ?       ?       34.883  11.914  0.000000       11.91393 
1 1 1 -23 -1  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 -1  33 o 28.222  11.131  110.242    112.329  0.0000     0.0000   110.242    112.329  ?       ?       28.222  11.131  0.000000       11.13097 
1 1 1 -23 -1  34 o 41.685  6.9701  238.351    68.010   240.116    94.802   236.479    97.622   39.599  9.8947  39.024  10.197  0.5748367      14.20864 
1 1 1 -23 -1  35 o 45.876  6.1266  281.534    66.494   295.527    94.177   267.623    93.898   44.786  8.9789  42.181  9.4131  2.605145       13.00870 
1 1 1 -23 -1  36 o 46.222  6.0327  285.928    66.046   289.381    89.478   281.794    97.893   44.495  8.5990  42.953  9.6306  1.541893       12.91092 
1 1 1 -23 -1  37 o 18.979  8.5859  -10.0662   84.704   -234.5772  163.071  72.890     99.125   19.157  9.4775  24.728  10.201  -5.571129      13.92441 
1 1 1 -23 -1  38 o 29.562  10.281  140.848    90.328   -19.7870   179.927  194.974    104.443  24.609  11.601  33.801  11.056  -9.191742      16.02589 
1 1 1 -23 -1  39 o 25.263  9.9268  91.753     89.027   -52.9902   190.734  132.071    100.665  23.940  11.471  28.422  10.713  -4.482012      15.69526 
1 1 1 -23 -1  40 o 15.236  6.8464  -8.3863    52.818   -28.6790   71.691   15.704     78.112   16.409  7.5982  19.382  8.5390  -2.973221      11.43009 
1 1 1 -23 -1  41 o 47.431  6.0239  308.963    67.763   281.796    93.028   339.669    98.904   41.967  9.3725  46.574  9.0782  -4.606609      13.04828 
1 1 1 -23 -1  42 o 64.990  5.1320  562.770    80.269   490.509    110.190  644.470    117.165  56.953  8.2110  66.555  7.3795  -9.602074      11.03984 
1 1 1 -23 -1  43 o 36.983  7.3007  202.760    63.188   185.274    86.005   223.269    93.144   32.486  9.9630  35.491  10.246  -3.005131      14.29101 
1 1 1 -23 -1  44 o 17.205  7.5208  15.094     59.555   27.095     74.224   -6.5977    99.787   19.167  8.3869  19.274  8.9386  -0.1067295     12.25719 
1 1 1 -23 -1  45 o 38.870  7.7440  232.532    70.472   206.474    90.991   271.593    111.404  33.413  10.248  36.906  11.343  -3.492947      15.28632 
1 1 1 -23 -1  46 f 22.161  8.4422  75.863     62.941   84.106     81.817   63.912     98.514   23.060  9.3614  22.187  9.6864  0.8737450      13.47082 
1 1 1 -23 -1  47 o 15.678  7.2816  -20.4759   66.578   16.979     74.591   -167.2571  147.662  18.350  8.1986  17.855  8.8655  0.4954681      12.07538 
1 1 1 -23 -1  48 o 24.968  9.1756  107.355    72.974   79.184     84.016   193.897    147.257  22.684  9.3777  28.597  12.155  -5.913729      15.35182 
1 1 1 -23 -1  49 o 8.4356  4.2886  -168.1695  47.673   -152.5855  56.208   -208.1119  89.987   9.9632  5.0203  12.766  6.4221  -2.802598      8.151457 
1 1 1 -23 -1  50 o 34.423  7.9070  186.803    64.653   145.970    83.614   247.517    101.956  28.106  9.8850  35.671  10.829  -7.564491      14.66245 
1 1 1 -23 -1  51 o 30.372  11.373  199.568    113.099  727.138    224.647  20.450     130.898  48.387  16.229  21.387  10.024  26.99958       19.07510 
1 1 1 -23 -1  52 o 22.344  10.998  -25.2770   210.038  -25.2770   210.038  0.0000     0.0000   22.344  10.998  ?       ?       0.000000       10.99793 
1 1 1 -23 -1  53 o 27.719  11.406  183.767    123.508  -3.2896    236.468  253.938    144.833  22.637  11.237  30.377  12.408  -7.739769      16.73958 
1 1 1 -23 0   1  o 59.950  4.3313  450.902    62.581   395.344    79.155   543.521    102.202  55.285  5.9970  64.490  6.6255  -9.205368      8.936525 
1 1 1 -23 0   2  o 35.255  5.5449  160.998    45.867   131.843    66.571   187.346    63.284   30.769  8.5890  37.332  7.2477  -6.562902      11.23829 
1 1 1 -23 0   3  o 27.129  6.5970  98.436     43.006   102.407    63.653   95.102     58.333   27.442  8.5970  26.532  8.2165  0.9095554      11.89200 
1 1 1 -23 0   4  o 125.654 4.7633  1976.93    145.226  2223.52    237.736  1830.14    183.429  130.054 7.5664  119.320 6.3586  10.73380       9.883433 
1 1 1 -23 0   5  o 108.580 4.1585  1464.27    109.560  1564.83    156.485  1367.58    153.441  110.875 5.8372  103.372 6.1452  7.503387       8.475636 
1 1 1 -23 0   6  o 8.8572  4.3808  -76.8268   34.756   -84.1442   63.265   -73.6636   41.596   13.621  6.5476  10.347  5.0514  3.273755       8.269659 
1 1 1 -23 0   7  o 24.841  7.3719  81.902     47.644   149.097    75.213   36.868     61.573   32.750  9.1250  20.698  8.2164  12.05204       12.27908 
1 1 1 -23 0   8  o 39.763  5.7897  203.654    54.219   259.571    81.220   158.702    72.822   44.000  7.8978  33.899  8.7825  10.10117       11.81130 
1 1 1 -23 0   9  o 17.120  7.6876  -21.2521   66.471   -15.7340   79.052   -34.5686   122.805  19.046  8.4799  22.709  10.300  -3.662960      13.34138 
1 1 1 -23 0   10 o 36.115  9.2497  181.487    81.412   152.526    98.224   245.046    145.512  33.016  10.718  40.276  13.043  -7.260498      16.88153 
1 1 1 -23 0   11 o 17.611  7.8856  -19.8005   69.410   -81.0758   84.101   111.096    122.920  16.678  7.8836  30.462  11.750  -13.78415      14.14943 
1 1 1 -23 0   12 o 23.740  8.0028  71.215     54.627   82.452     72.820   56.751     82.613   25.831  9.2099  24.235  9.5499  1.595987       13.26733 
1 1 1 -23 0   13 o 41.831  6.3850  227.419    62.753   218.831    85.143   237.631    92.850   39.811  9.0227  41.296  9.4684  -1.485237      13.07900 
1 1 1 -23 0   14 o 21.234  7.7744  50.675     52.319   128.285    75.314   -21.7033   72.732   30.551  9.3148  17.926  8.0463  12.62428       12.30889 
1 1 1 -23 0   15 o 33.100  8.1037  149.342    64.562   43.285     92.132   251.670    90.498   23.983  9.8575  42.724  9.0132  -18.74105      13.35699 
1 1 1 -23 0   16 f 28.853  8.4430  113.395    62.872   45.921     89.977   177.770    87.888   23.959  9.7821  35.449  9.8594  -11.49040      13.88875 
1 1 1 -23 0   17 o 17.918  8.2485  -46.0261   82.714   -46.0261   82.714   0.0000     0.0000   17.918  8.2485  ?       ?       0.000000       8.248515 
1 1 1 -23 0   18 o 113.878 12.627  1927.24    343.043  1927.24    343.043  0.0000     0.0000   113.878 12.627  ?       ?       0.000000       12.62750 
1 1 1 -23 0   19 o 128.717 12.416  2458.25    382.971  2458.25    382.971  0.0000     0.0000   128.717 12.416  ?       ?       0.000000       12.41621 
1 1 1 -23 0   20 o 26.017  9.9952  77.569     88.696   -10.1059   209.319  96.756     97.922   29.150  13.308  27.974  10.560  1.175604       16.98868 
1 1 1 -23 0   21 o 33.954  7.0768  155.077    56.413   122.662    90.127   175.956    72.334   29.811  10.275  35.558  8.4994  -5.746235      13.33488 
1 1 1 -23 0   22 o 67.042  4.9246  568.771    79.549   678.568    121.733  486.940    105.092  71.740  7.0859  60.539  7.3017  11.20061       10.17471 
1 1 1 -23 0   23 o 32.602  7.4332  145.271    57.495   199.073    92.809   111.764    73.242   36.863  10.084  28.368  9.2575  8.495367       13.68926 
1 1 1 -23 0   24 o 16.143  6.9264  4.3860     48.646   -18.7370   82.645   16.644     60.175   18.994  8.5469  18.616  7.8334  0.3775177      11.59361 
1 1 1 -23 0   25 o 53.663  5.4435  370.773    69.898   529.525    106.862  252.063    92.407   63.016  7.1133  41.852  9.3369  21.16410       11.73782 
1 1 1 -23 0   26 o 54.406  5.2973  380.558    69.043   378.637    107.564  381.905    90.040   51.808  8.8760  53.331  7.1370  -1.523731      11.38953 
1 1 1 -23 0   27 o 27.750  8.0359  108.112    57.220   142.350    92.082   86.575     73.032   31.006  10.391  25.550  9.2110  5.455599       13.88546 
1 1 1 -23 0   28 o 17.880  7.5076  16.813     55.080   106.798    95.136   -28.5562   67.552   27.906  10.435  16.501  7.5436  11.40453       12.87572 
1 1 1 -23 0   29 o 34.029  7.5256  161.366    60.488   227.189    95.190   116.787    78.338   38.774  10.039  28.431  9.5835  10.34292       13.87892 
1 1 1 -23 0   30 o 25.432  10.486  68.609     104.648  0.0000     0.0000   68.609     104.648  ?       ?       25.432  10.486  0.000000       10.48554 
1 1 1 -23 0   31 o 41.296  12.323  286.673    132.853  0.0000     0.0000   286.673    132.853  ?       ?       41.296  12.323  0.000000       12.32268 
1 1 1 -23 0   32 o 101.462 10.673  1564.37    258.823  0.0000     0.0000   1564.37    258.823  ?       ?       101.462 10.673  0.000000       10.67328 
1 1 1 -23 0   33 o 134.969 4.7273  2321.13    154.816  2450.04    224.938  2205.11    213.404  134.961 6.8919  128.018 6.8956  6.942871       9.749245 
1 1 1 -23 0   34 o 90.910  4.5209  1050.36    99.724   1072.57    138.846  1026.69    143.324  89.651  6.4254  87.200  6.8284  2.450844       9.376243 
1 1 1 -23 0   35 o 28.082  8.2724  115.166    60.178   124.029    80.728   104.081    90.281   28.631  9.7282  26.930  10.146  1.700434       14.05635 
1 1 1 -23 0   36 o 15.056  6.8488  -19.2667   54.817   43.027     77.993   -80.0812   77.062   21.612  8.9932  15.203  7.2862  6.409386       11.57436 
1 1 1 -23 0   37 o 30.225  10.595  148.287    96.011   478.027    193.593  40.731     110.566  47.613  15.005  23.400  10.238  24.21280       18.16483 
1 1 1 -23 0   38 o 48.768  9.7161  371.209    110.934  129.068    206.229  469.803    131.595  29.532  13.375  54.162  10.391  -24.62915      16.93749 
1 1 1 -23 0   39 o 58.859  5.4178  460.563    76.506   399.435    108.081  521.953    108.313  51.094  9.0491  60.323  7.5665  -9.228416      11.79573 
1 1 1 -23 0   40 o 20.707  8.1191  53.363     59.438   192.893    81.476   -105.3752  86.903   34.467  9.4568  15.189  7.3896  19.27827       12.00156 
1 1 1 -23 0   41 o 40.729  6.8270  236.793    65.080   205.533    89.256   272.278    95.096   34.700  10.033  40.607  9.7702  -5.906483      14.00415 
1 1 1 -23 0   42 o 79.788  4.8462  840.849    93.377   797.138    130.083  887.316    134.119  73.933  7.3487  78.400  7.1282  -4.466644      10.23792 
1 1 1 -23 0   43 o 11.744  5.7188  -73.2089   52.363   -111.2025  68.427   -19.5188   81.342   12.685  6.2500  17.389  8.0665  -4.703958      10.20447 
1 1 1 -23 0   44 o 20.838  8.3185  59.349     63.439   77.568     81.447   31.246     101.155  22.798  9.3074  20.892  9.4233  1.905521       13.24486 
1 1 1 -23 0   45 f 57.189  5.7683  455.290    78.950   502.455    104.649  392.985    120.279  57.388  7.7104  45.954  10.944  11.43398       13.38716 
1 1 1 -23 0   46 o 53.064  7.9154  436.355    98.798   369.156    117.836  595.397    181.281  44.089  11.040  49.395  14.303  -5.305988      18.06796 
1 1 1 -23 0   47 o 20.401  8.5841  51.760     72.256   70.669     81.038   -21.5745   159.591  22.028  9.1667  21.381  10.307  0.6471672      13.79360 
1 1 1 -23 0   48 o 14.588  6.8470  -31.6089   61.471   -59.2281   77.491   15.272     100.959  15.201  7.2910  19.932  9.1526  -4.731385      11.70161 
1 1 1 -23 0   49 o 33.181  8.0929  175.930    64.574   256.552    83.786   57.979     101.342  39.235  8.9934  21.965  9.6989  17.26953       13.22687 
1 1 1 -23 0   50 o 26.975  11.223  150.240    121.428  15.038     225.933  205.157    143.993  23.800  11.651  29.258  12.201  -5.457451      16.87065 
1 1 1 -23 0   51 o 31.308  11.745  223.213    120.730  -118.6546  238.263  341.312    140.039  21.856  10.917  37.670  12.813  -15.81459      16.83315 
1 1 1 -23 0   52 o 32.354  11.807  245.751    120.524  304.896    253.597  228.494    136.983  28.266  13.456  29.907  12.123  -1.641041      18.11172 
1 1 1 -23 0   53 o 23.840  10.288  112.422    108.520  -30.3404   230.777  152.953    122.964  21.866  10.894  25.708  11.021  -3.842054      15.49657 
1 1 1 -23 1   1  o 25.757  6.7950  89.251     43.081   68.740     64.270   105.987    58.054   23.759  8.6292  27.788  8.1079  -4.029484      11.84064 
1 1 1 -23 1   2  o 40.088  5.3522  206.318    50.761   265.022    73.240   152.052    70.417   44.736  6.9746  32.998  8.6787  11.73801       11.13396 
1 1 1 -23 1   3  o 19.210  6.9351  42.054     41.421   62.050     61.846   25.788     55.779   23.016  8.4488  19.012  7.7253  4.004210       11.44824 
1 1 1 -23 1   4  o 20.201  7.0580  48.921     42.594   45.870     64.669   51.257     56.607   21.729  8.4830  21.564  8.0517  0.1650257      11.69574 
1 1 1 -23 1   5  o 66.058  4.2844  544.682    68.301   525.304    98.237   562.814    95.028   63.764  6.4376  66.295  5.9716  -2.531578      8.780850 
1 1 1 -23 1   6  o 75.213  4.6904  708.822    85.173   632.826    113.029  808.677    129.563  69.876  6.7506  78.998  6.8264  -9.121872      9.600513 
1 1 1 -23 1   7  o 60.633  4.9877  463.224    72.728   501.425    98.743   417.925    107.524  62.237  6.6413  55.884  8.1710  6.352505       10.52957 
1 1 1 -23 1   8  o 44.602  8.0051  267.124    83.450   267.124    83.450   0.0000     0.0000   44.602  8.0051  ?       ?       0.000000       8.005075 
1 1 1 -23 1   9  o 25.993  9.2105  84.312     72.723   111.032    85.496   14.387     138.306  29.006  10.007  26.085  11.430  2.921574       15.19194 
1 1 1 -23 1   10 o 41.556  9.7579  242.257    96.711   242.257    96.711   0.0000     0.0000   41.556  9.7579  ?       ?       0.000000       9.757920 
1 1 1 -23 1   11 o 37.273  8.2325  188.801    72.466   176.158    93.839   207.480    114.061  35.260  10.314  37.775  11.451  -2.514748      15.41125 
1 1 1 -23 1   12 o 45.438  5.9011  265.182    63.525   271.689    85.766   257.273    94.549   44.931  8.1677  43.094  9.3140  1.837860       12.38802 
1 1 1 -23 1   13 o 19.832  7.8352  33.711     55.745   -23.3521   71.599   121.545    88.830   17.690  7.9580  30.056  10.205  -12.36670      12.94091 
1 1 1 -23 1   14 f 45.269  5.9979  263.913    64.259   240.970    86.577   292.056    95.888   41.907  8.7947  46.198  8.8766  -4.291203      12.49561 
1 1 1 -23 1   15 f 66.273  5.0322  553.291    80.316   484.232    112.814  624.268    114.370  60.390  7.8874  69.340  6.8889  -8.949463      10.47226 
1 1 1 -23 1   16 o 67.957  7.1645  603.692    116.357  603.692    116.357  0.0000     0.0000   67.957  7.1645  ?       ?       0.000000       7.164529 
1 1 1 -23 1   17 o 74.275  15.754  907.741    275.120  907.741    275.120  0.0000     0.0000   74.275  15.754  ?       ?       0.000000       15.75397 
1 1 1 -23 1   18 o 27.211  12.770  -94.9842   213.620  -94.9842   213.620  0.0000     0.0000   27.211  12.770  ?       ?       0.000000       12.76952 
1 1 1 -23 1   19 o 32.746  10.878  153.180    100.969  4.9760     219.226  193.082    113.752  30.159  13.710  36.110  11.515  -5.950846      17.90439 
1 1 1 -23 1   20 f 41.555  6.9722  229.393    67.810   169.754    100.917  278.486    91.561   34.130  10.842  44.867  8.7246  -10.73746      13.91634 
1 1 1 -23 1   21 o 16.334  7.0691  0.7175     51.531   72.738     85.139   -40.9187   64.734   25.329  9.7761  15.676  7.2452  9.652799       12.16825 
1 1 1 -23 1   22 o 48.210  5.7731  300.532    66.189   375.708    103.228  248.046    86.253   52.312  8.4182  42.134  8.7240  10.17792       12.12330 
1 1 1 -23 1   23 o 72.957  4.7487  672.551    83.605   652.631    127.382  687.626    110.812  69.716  7.6564  72.657  6.3494  -2.941208      9.946578 
1 1 1 -23 1   24 o 85.897  4.5959  930.306    95.442   1064.06    142.526  821.563    128.511  90.157  6.5602  78.986  6.7709  11.17162       9.427693 
1 1 1 -23 1   25 o 60.995  5.0967  475.298    74.739   544.092    115.444  425.658    98.064   63.382  7.6621  56.208  7.3677  7.174019       10.62968 
1 1 1 -23 1   26 o 40.815  6.9320  224.671    66.194   279.648    110.571  193.962    82.639   42.928  10.663  36.473  9.3072  6.455559       14.15382 
1 1 1 -23 1   27 o 40.239  6.9321  219.081    65.239   185.978    110.174  236.956    80.959   34.496  11.359  40.926  8.4333  -6.429726      14.14720 
1 1 1 -23 1   28 o 33.938  7.5092  160.244    60.200   288.250    92.769   67.131     79.121   44.856  8.8378  24.022  9.3816  20.83414       12.88882 
1 1 1 -23 1   29 o 24.039  9.1341  71.570     73.561   0.0000     0.0000   71.570     73.561   ?       ?       24.039  9.1341  0.000000       9.134088 
1 1 1 -23 1   30 o 42.274  12.375  299.879    135.050  0.0000     0.0000   299.879    135.050  ?       ?       42.274  12.375  0.000000       12.37542 
1 1 1 -23 1   31 o 55.473  12.100  499.568    158.288  0.0000     0.0000   499.568    158.288  ?       ?       55.473  12.100  0.000000       12.10039 
1 1 1 -23 1   32 o 22.685  8.3516  65.580     60.494   85.745     101.501  54.472     75.335   26.215  10.502  22.572  9.0459  3.642790       13.86081 
1 1 1 -23 1   33 o 46.688  6.3758  292.712    70.339   245.030    96.510   346.739    102.730  39.934  9.9863  48.697  9.0267  -8.763069      13.46136 
1 1 1 -23 1   34 o 43.240  6.5208  253.458    66.288   269.089    94.273   238.173    93.226   42.285  9.4286  39.379  9.7968  2.905403       13.59691 
1 1 1 -23 1   35 o 45.421  6.3452  278.856    68.021   274.203    94.686   283.819    97.782   42.546  9.4206  43.152  9.5879  -0.6060066     13.44153 
1 1 1 -23 1   36 o 12.825  6.3759  -161.7564  77.299   -318.9764  162.797  -115.9928  87.832   17.794  8.9086  15.266  7.4277  2.528355       11.59882 
1 1 1 -23 1   37 o 13.285  6.5092  -112.5229  70.947   -696.7452  169.973  10.739     78.074   ?       ?       19.363  8.5333  0.000000       8.533298 
1 1 1 -23 1   38 o 21.374  9.2678  33.340     88.901   78.361     173.524  17.317     103.519  26.987  12.241  21.517  9.6328  5.469803       15.57678 
1 1 1 -23 1   39 o 19.393  7.7823  40.917     55.838   48.607     77.365   32.554     80.673   21.435  8.9415  20.591  8.8784  0.8447189      12.60059 
1 1 1 -23 1   40 o 38.118  7.3610  211.987    65.616   182.781    92.491   241.581    93.103   32.390  10.389  38.025  9.9690  -5.635368      14.39829 
1 1 1 -23 1   41 o 60.840  5.3286  496.934    77.871   352.598    107.883  653.928    112.514  46.058  9.9447  67.657  6.9527  -21.59911      12.13412 
1 1 1 -23 1   42 o 45.039  6.4121  287.076    68.095   220.476    93.649   361.795    99.192   35.158  10.309  47.732  8.8917  -12.57377      13.61399 
1 1 1 -23 1   43 o 30.797  8.4721  153.633    65.293   207.802    84.396   72.878     103.046  34.599  9.6752  23.158  10.010  11.44159       13.92127 
1 1 1 -23 1   44 o 45.340  6.7665  299.730    72.161   219.888    94.729   410.118    111.385  34.264  10.447  49.146  9.6851  -14.88196      14.24540 
1 1 1 -23 1   45 o 27.389  8.5578  125.378    63.121   137.472    80.807   106.449    101.094  27.509  9.7131  24.686  10.253  2.823448       14.12316 
1 1 1 -23 1   46 o 21.214  8.9613  59.448     79.246   62.588     90.651   49.270     163.195  21.800  9.4055  23.306  11.006  -1.506481      14.47736 
1 1 1 -23 1   47 o 25.947  9.4787  119.688    77.709   124.809    87.527   100.627    168.865  26.069  9.9496  24.876  11.568  1.192434       15.25813 
1 1 1 -23 1   48 o 30.211  8.3472  149.647    63.220   157.229    83.528   139.480    96.730   29.164  9.8956  26.981  10.419  2.183367       14.36898 
1 1 1 -23 1   49 o 34.104  7.9899  184.477    64.959   278.949    85.267   53.809     100.280  41.221  8.7933  21.691  9.6094  19.53012       13.02547 
1 1 1 -23 1   50 o 19.545  8.8441  22.169     89.938   -27.7452   248.346  29.703     96.488   23.395  11.596  20.250  9.1621  3.144918       14.77871 
1 1 1 -23 1   51 o 28.037  10.902  166.898    106.495  368.017    252.718  123.473    117.430  30.133  14.059  25.101  10.766  5.032148       17.70715 
1 1 1 -23 1   52 o 30.236  10.886  199.285    101.977  152.903    257.910  207.880    111.024  25.044  12.299  30.088  11.268  -5.043989      16.68029 
1 1 1 -23 2   1  o 17.560  6.6639  30.856     39.122   55.600     56.363   7.8518     54.346   21.912  8.0622  17.293  7.3678  4.618946       10.92172 
1 1 1 -23 2   2  o 55.116  4.8521  383.888    64.227   337.374    84.286   448.298    99.184   50.535  7.0673  58.295  7.1627  -7.760647      10.06234 
1 1 1 -23 2   3  o 104.606 4.5822  1367.28    116.304  1363.89    147.963  1372.76    188.140  103.329 5.9263  101.978 7.6594  1.351318       9.684445 
1 1 1 -23 2   4  o 89.912  4.0752  1003.34    88.907   912.165    125.674  1094.69    125.791  84.314  6.1862  92.840  5.6104  -8.526764      8.351425 
1 1 1 -23 2   5  o 35.604  6.0266  165.084    50.206   233.727    74.010   106.566    68.334   41.790  7.5779  28.070  8.9221  13.72061       11.70587 
1 1 1 -23 2   6  o 33.853  6.5025  150.975    51.471   152.907    76.603   149.384    69.498   33.118  9.2024  32.910  8.6058  0.2081375      12.59932 
1 1 1 -23 2   7  o 66.433  5.6782  561.369    90.651   581.945    104.623  499.402    181.566  67.177  6.4999  57.068  13.350  10.10940       14.84817 
1 1 1 -23 2   8  f 28.614  9.3500  109.961    74.704   162.187    87.662   -28.5741   142.774  33.940  9.9804  24.626  11.143  9.314651       14.95919 
1 1 1 -23 2   9  o 45.061  8.2540  273.931    86.920   187.473    103.221  484.667    161.152  36.142  10.879  57.534  11.935  -21.39198      16.14944 
1 1 1 -23 2   10 o 40.028  10.361  228.531    101.413  228.531    101.413  0.0000     0.0000   40.028  10.361  ?       ?       0.000000       10.36106 
1 1 1 -23 2   11 o 44.892  5.3887  256.667    57.525   208.009    82.652   302.380    80.112   38.816  8.9576  48.003  7.0916  -9.186718      11.42491 
1 1 1 -23 2   12 o 54.519  5.3350  376.800    69.670   395.024    93.170   353.683    104.933  54.928  7.1610  51.016  8.7946  3.912029       11.34132 
1 1 1 -23 2   13 o 33.994  7.7009  156.017    62.047   122.708    81.428   202.134    95.813   30.007  9.7596  37.674  10.221  -7.666389      14.13252 
1 1 1 -23 2   14 o 69.682  4.8050  609.402    80.745   710.181    112.001  500.335    116.515  74.409  6.2617  61.311  8.0247  13.09734       10.17859 
1 1 1 -23 2   15 o 22.104  8.2121  54.432     58.740   27.549     79.097   87.489     87.710   21.702  9.0458  26.949  10.030  -5.247583      13.50684 
1 1 1 -23 2   16 o 39.795  15.259  246.384    206.475  246.384    206.475  0.0000     0.0000   39.795  15.259  ?       ?       0.000000       15.25928 
1 1 1 -23 2   17 o 93.174  14.172  1353.67    310.305  1353.67    310.305  0.0000     0.0000   93.174  14.172  ?       ?       0.000000       14.17223 
1 1 1 -23 2   18 o 118.758 6.9156  1833.24    198.416  1918.04    346.983  1792.04    241.861  112.736 12.918  115.195 8.7176  -2.459190      15.58427 
1 1 1 -23 2   19 o 55.978  5.7538  402.279    77.039   448.627    105.112  348.486    113.240  57.979  7.6592  49.638  9.7499  8.340805       12.39861 
1 1 1 -23 2   20 o 28.291  7.8918  109.812    56.223   106.075    86.709   112.523    73.853   28.232  10.052  28.573  9.2946  -0.3413124     13.69025 
1 1 1 -23 2   21 o 63.277  4.8650  506.612    74.123   501.660    112.953  510.357    98.233   61.076  7.8001  62.476  6.5790  -1.400028      10.20414 
1 1 1 -23 2   22 o 90.415  4.4802  1024.59    98.287   1137.37    146.880  933.142    132.264  93.426  6.5203  84.615  6.4917  8.811028       9.200869 
1 1 1 -23 2   23 o 17.505  7.3207  15.267     52.051   17.710     87.095   13.910     64.920   21.473  9.2419  18.950  8.0628  2.522587       12.26467 
1 1 1 -23 2   24 o 36.218  7.2699  178.822    61.668   230.741    97.859   144.625    79.422   39.416  10.166  31.570  9.5521  7.846266       13.94939 
1 1 1 -23 2   25 o 89.566  4.5306  1012.42    98.141   1207.99    144.238  843.826    133.921  96.256  6.2088  79.644  7.0011  16.61174       9.357601 
1 1 1 -23 2   26 o 68.037  4.8845  589.848    80.100   585.578    122.688  593.020    105.747  65.378  7.8938  66.936  6.5968  -1.557838      10.28734 
1 1 1 -23 2   27 o 62.333  5.0491  497.903    75.710   361.895    116.789  596.491    99.433   49.336  10.096  67.424  6.1454  -18.08754      11.81940 
1 1 1 -23 2   28 o 53.001  7.6248  386.026    95.234   0.0000     0.0000   386.026    95.234   ?       ?       53.001  7.6248  0.000000       7.624792 
1 1 1 -23 2   29 o 41.575  12.343  289.301    133.540  0.0000     0.0000   289.301    133.540  ?       ?       41.575  12.343  0.000000       12.34280 
1 1 1 -23 2   30 o 27.588  11.041  98.856     112.076  0.0000     0.0000   98.856     112.076  ?       ?       27.588  11.041  0.000000       11.04136 
1 1 1 -23 2   31 o 67.102  6.7996  605.825    109.180  629.757    141.521  570.641    171.597  66.044  9.0708  58.937  12.392  7.106937       15.35747 
1 1 1 -23 2   32 o 21.864  7.2099  64.305     44.383   124.933    55.704   -41.0950   73.447   29.628  7.6838  16.479  7.6518  13.14858       10.84391 
1 1 1 -23 2   33 o 63.028  5.0409  513.225    76.445   462.862    104.647  570.855    111.942  57.628  7.6748  64.451  7.2861  -6.823208      10.58247 
1 1 1 -23 2   34 o 22.351  8.2566  64.544     59.210   54.908     77.935   77.698     91.058   22.566  9.1451  24.925  9.9605  -2.358887      13.52200 
1 1 1 -23 2   35 o 39.112  7.3170  215.243    66.888   214.387    92.950   216.163    96.328   36.747  10.108  36.665  10.366  0.8212280E-01  14.47883 
1 1 1 -23 2   36 o 38.407  10.078  235.837    95.100   485.721    189.069  151.203    110.033  48.538  14.750  30.217  11.237  18.32140       18.54233 
1 1 1 -23 2   37 o 14.616  7.0534  -86.5532   75.237   -245.0358  161.433  -42.5765   85.038   18.627  9.2523  17.365  8.1196  1.261528       12.30987 
1 1 1 -23 2   38 o 59.904  5.4381  477.526    78.182   469.452    108.989  486.085    112.214  56.433  8.1994  57.295  8.3145  -0.8622818     11.67741 
1 1 1 -23 2   39 o 33.696  7.7418  169.097    61.966   169.603    85.710   168.543    89.693   31.718  9.9823  31.370  10.245  0.3483696      14.30398 
1 1 1 -23 2   40 o 30.556  8.2044  144.678    62.111   223.422    83.479   47.035     92.959   37.110  9.2918  21.899  9.4861  15.21129       13.27875 
1 1 1 -23 2   41 o 22.369  8.2976  73.544     59.922   15.375     80.301   146.634    90.014   19.148  8.5344  28.741  10.240  -9.593212      13.33048 
1 1 1 -23 2   42 o 17.985  7.5726  28.898     56.292   50.049     76.782   4.3178     82.772   20.869  8.8184  18.606  8.4452  2.262806       12.21009 
1 1 1 -23 2   43 o 17.894  7.6185  27.324     58.035   44.295     82.898   11.012     81.275   20.633  8.9480  18.685  8.4355  1.947927       12.29734 
1 1 1 -23 2   44 o 18.047  7.5810  32.146     56.202   -52.4440   77.217   127.446    81.959   15.458  7.3774  26.605  9.7321  -11.14671      12.21232 
1 1 1 -23 2   45 o 30.554  9.7716  170.515    81.870   118.962    92.755   352.302    174.178  25.526  10.100  35.069  13.851  -9.543522      17.14258 
1 1 1 -23 2   46 o 17.611  7.9352  8.2153     71.519   19.196     79.834   -36.4118   160.945  18.819  8.4395  21.070  10.205  -2.250874      13.24259 
1 1 1 -23 2   47 o 12.741  6.0918  -48.6791   53.167   -53.9460   69.382   -41.1870   82.750   14.533  6.9518  16.354  7.7568  -1.820509      10.41610 
1 1 1 -23 2   48 o 16.002  7.2085  -0.1829    58.976   35.514     80.428   -41.7015   86.738   19.809  8.6975  16.707  7.9293  3.102045       11.76950 
1 1 1 -23 2   49 o 23.877  9.8956  95.740     93.888   185.405    238.926  79.365     102.101  27.051  12.928  23.015  9.9557  4.035870       16.31750 
1 1 1 -23 2   50 o 25.507  10.193  123.135    95.350   15.767     245.617  142.187    103.464  23.772  11.737  26.616  10.624  -2.844297      15.83106 
1 1 1 -23 2   51 o 26.686  10.415  145.855    97.455   189.881    249.396  137.921    105.873  26.026  12.629  25.860  10.591  0.1658459      16.48187 
1 1 1 -23 2   52 o 15.847  7.6614  -60.0246   89.718   241.434    236.685  -110.6091  96.954   26.209  12.615  15.062  7.4247  11.14761       14.63744 
1 1 1 -23 3   1  o 44.357  5.1992  251.357    54.897   272.517    79.785   232.331    75.652   45.027  7.5714  41.370  7.8230  3.656487       10.88696 
1 1 1 -23 3   2  o 59.955  4.5445  451.578    65.620   406.435    94.570   493.494    91.127   55.464  7.1968  61.834  6.1555  -6.370590      9.470194 
1 1 1 -23 3   3  o 27.052  7.1775  98.637     47.890   183.362    71.705   30.410     64.346   36.521  8.2822  20.353  8.2869  16.16851       11.71612 
1 1 1 -23 3   4  o 26.540  7.1849  94.674     47.402   144.985    74.132   59.875     61.653   32.231  9.0871  22.826  8.4265  9.405554       12.39283 
1 1 1 -23 3   5  o 42.577  5.5062  232.209    55.552   277.769    83.342   195.784    74.520   45.508  7.8301  37.812  8.3457  7.695610       11.44383 
1 1 1 -23 3   6  o 18.519  7.9683  4.8759     64.704   0.9478     72.933   19.396     140.223  19.263  8.3735  26.341  11.527  -7.077692      14.24715 
1 1 1 -23 3   7  o 56.050  7.6602  415.964    101.452  397.042    122.630  457.001    180.598  53.367  9.8324  54.124  13.730  -0.7569275     16.88781 
1 1 1 -23 3   8  o 25.320  9.5636  72.576     80.338   23.288     96.418   184.492    145.291  23.092  9.8255  35.883  12.983  -12.79134      16.28207 
1 1 1 -23 3   9  o 48.517  8.4679  318.354    96.059   381.769    116.049  180.344    171.199  52.615  9.4368  36.085  13.881  16.52968       16.78492 
1 1 1 -23 3   10 o 38.403  6.7173  193.794    60.314   195.408    99.672   192.862    75.760   36.928  10.580  37.526  8.5155  -0.5975647     13.58164 
1 1 1 -23 3   11 o 48.979  5.2180  304.225    61.057   240.965    87.764   363.561    84.999   41.842  8.9171  52.848  6.7853  -11.00517      11.20518 
1 1 1 -23 3   12 o 25.546  8.0078  86.311     55.217   64.644     75.552   111.155    80.901   24.323  9.2533  28.857  9.7389  -4.533689      13.43393 
1 1 1 -23 3   13 o 54.520  5.5499  378.511    72.395   346.357    98.217   416.762    107.125  50.728  8.2640  55.802  8.1523  -5.073975      11.60837 
1 1 1 -23 3   14 o 37.740  7.2635  189.951    64.100   122.471    85.533   276.402    96.813   29.985  10.014  44.632  9.2438  -14.64724      13.62852 
1 1 1 -23 3   15 o 35.152  13.838  167.054    173.292  167.054    173.292  0.0000     0.0000   35.152  13.838  ?       ?       0.000000       13.83777 
1 1 1 -23 3   16 o 31.845  13.270  105.721    170.148  105.721    170.148  0.0000     0.0000   31.845  13.270  ?       ?       0.000000       13.26983 
1 1 1 -23 3   17 o 35.744  14.443  174.549    193.775  174.549    193.775  0.0000     0.0000   35.744  14.443  ?       ?       0.000000       14.44298 
1 1 1 -23 3   18 o 66.944  5.2127  568.401    84.003   436.693    116.355  711.784    121.402  56.436  8.7826  73.833  6.8548  -17.39788      11.14104 
1 1 1 -23 3   19 o 53.647  5.3151  367.210    68.277   448.891    107.250  311.547    88.536   57.805  7.8497  48.009  7.8733  9.795219       11.11784 
1 1 1 -23 3   20 o 32.191  7.3677  141.073    56.304   155.572    89.485   131.572    72.442   32.801  10.180  30.558  9.0951  2.242868       13.65095 
1 1 1 -23 3   21 o 28.085  7.6963  108.499    54.003   86.608     85.811   122.854    69.490   26.389  9.9016  29.564  8.9326  -3.175306      13.33534 
1 1 1 -23 3   22 o 71.700  4.7300  649.830    81.828   620.831    123.786  672.336    109.053  67.950  7.6404  71.827  6.3217  -3.876450      9.916592 
1 1 1 -23 3   23 o 91.411  4.4571  1049.25    98.859   1034.83    145.948  1061.47    134.383  88.572  6.8441  90.391  6.1639  -1.819008      9.210603 
1 1 1 -23 3   24 o 47.158  5.8071  289.856    65.044   287.220    101.481  291.694    84.739   44.384  9.6944  46.057  7.8651  -1.672523      12.48363 
1 1 1 -23 3   25 o 58.718  5.1699  442.323    72.906   547.843    111.643  363.868    96.266   63.715  7.3567  51.358  7.9843  12.35679       10.85685 
1 1 1 -23 3   26 o 44.301  6.2142  259.860    64.960   277.225    100.692  247.480    85.019   43.262  9.8173  41.634  8.6965  1.628029       13.11525 
1 1 1 -23 3   27 o 24.978  8.3929  85.648     60.080   187.282    103.664  34.241     73.725   34.612  10.988  21.083  8.7559  13.52841       14.04978 
1 1 1 -23 3   28 o 14.942  7.3144  -140.8872  88.999   0.0000     0.0000   -140.8872  88.999   ?       ?       14.942  7.3144  0.000000       7.314402 
1 1 1 -23 3   29 o 37.767  12.323  240.146    129.774  0.0000     0.0000   240.146    129.774  ?       ?       37.767  12.323  0.000000       12.32257 
1 1 1 -23 3   30 o 46.435  8.1372  304.370    88.340   346.388    113.830  240.740    140.079  47.832  10.123  37.267  12.812  10.56582       16.32884 
1 1 1 -23 3   31 o 41.685  6.5867  235.136    64.407   285.364    93.620   190.003    88.746   44.123  9.0483  35.149  9.9541  8.974274       13.45197 
1 1 1 -23 3   32 o 26.529  8.4555  101.361    61.342   170.252    86.318   31.072     87.189   33.182  9.9398  21.724  9.2957  11.45831       13.60918 
1 1 1 -23 3   33 o 53.716  5.6718  380.244    72.808   386.388    99.832   373.263    106.414  52.077  8.1694  50.363  9.0403  1.713978       12.18462 
1 1 1 -23 3   34 o 21.938  8.3466  59.760     61.474   86.154     83.757   28.937     90.512   25.202  9.7050  21.653  9.3702  3.548527       13.49028 
1 1 1 -23 3   35 o 21.350  9.0413  37.404     80.991   -66.5659   168.023  68.873     92.438   22.991  10.948  24.123  9.8896  -1.131674      14.75309 
1 1 1 -23 3   36 o 27.179  10.013  113.753    86.980   -2.0173    177.776  150.188    99.733   24.932  11.684  30.105  10.773  -5.173088      15.89262 
1 1 1 -23 3   37 o 52.367  6.2202  374.424    77.490   378.020    100.461  369.142    121.759  50.322  8.5325  46.906  10.905  3.415535       13.84631 
1 1 1 -23 3   38 o 21.703  8.1749  63.735     58.602   41.866     79.054   90.412     87.312   21.044  8.9232  24.842  9.8086  -3.798218      13.26014 
1 1 1 -23 3   39 o 16.930  7.3138  13.662     54.955   6.1647     76.221   21.780     79.308   18.511  8.2778  19.650  8.6319  -1.138723      11.95963 
1 1 1 -23 3   40 f 36.597  7.6305  200.471    65.563   158.394    88.755   251.008    97.270   29.967  10.200  37.992  10.295  -8.024393      14.49271 
1 1 1 -23 3   41 o 56.764  7.1728  470.473    96.588   629.528    122.237  206.096    157.595  64.477  7.9840  30.152  12.682  34.32493       14.98565 
1 1 1 -23 3   42 o 20.939  8.1497  61.585     59.550   68.868     80.434   52.751     88.588   22.196  9.1758  21.465  9.2794  0.7305069      13.05004 
1 1 1 -23 3   43 o 12.103  5.8411  -59.2746   51.610   -121.3560  71.712   7.4299     74.334   12.705  6.2856  17.894  8.0738  -5.188802      10.23208 
1 1 1 -23 3   44 o 18.733  7.8423  38.159     59.819   101.319    84.156   -26.3391   85.043   24.318  9.6208  17.140  8.0477  7.177980       12.54293 
1 1 1 -23 3   45 o 16.537  7.7100  -20.8889   75.788   -33.5134   86.150   22.325     159.391  16.921  7.9927  22.435  10.677  -5.513205      13.33727 
1 1 1 -23 3   46 o 24.660  9.6064  106.285    82.797   98.168     94.615   132.825    171.085  24.036  9.9455  25.847  11.886  -1.810854      15.49775 
1 1 1 -23 3   47 o 36.722  7.8220  210.743    67.561   201.913    95.268   219.676    95.827   32.245  10.560  33.822  10.541  -1.577408      14.92019 
1 1 1 -23 3   48 o 24.340  8.4900  97.753     61.619   87.950     86.716   107.751    87.576   23.329  9.5730  24.754  9.8077  -1.425900      13.70523 
1 1 1 -23 3   49 o 20.503  10.259  -176.9730  214.581  -176.9730  214.581  0.0000     0.0000   20.503  10.259  ?       ?       0.000000       10.25923 
1 1 1 -23 3   50 o 14.291  7.0344  -111.9525  85.961   170.754    222.654  -161.4712  93.185   26.059  12.462  13.829  6.8951  12.23007       14.24213 
1 1 1 -23 3   51 o 32.294  11.046  228.368    104.083  197.356    261.314  234.216    113.473  25.584  12.526  31.694  11.473  -6.109880      16.98610 
1 1 1 -23 4   1  o 97.112  4.2189  1174.83    99.412   1151.95    141.199  1197.33    139.988  94.585  6.1865  96.599  6.0022  -2.014000      8.619676 
1 1 1 -23 4   2  o 41.019  5.5917  216.779    54.204   248.317    81.592   191.864    72.519   42.659  8.1803  37.360  8.2228  5.299507       11.59878 
1 1 1 -23 4   3  o 49.797  5.1049  314.855    60.809   207.842    89.657   406.020    82.752   38.233  9.6607  56.060  6.1867  -17.82631      11.47185 
1 1 1 -23 4   4  o 99.286  4.6267  1231.52    111.461  1239.57    145.375  1220.05    173.616  98.392  6.1196  96.379  7.4828  2.013588       9.666489 
1 1 1 -23 4   5  f 39.727  8.1913  214.918    76.335   161.428    86.345   406.333    163.338  33.763  9.8986  51.295  13.082  -17.53236      16.40520 
1 1 1 -23 4   6  o 90.451  6.5019  1053.12    141.746  1079.58    177.884  1007.10    234.609  90.063  8.2311  83.106  11.981  6.956116       14.53564 
1 1 1 -23 4   7  o 50.203  8.4703  341.193    99.508   286.577    121.427  452.864    173.630  44.225  11.280  54.207  13.301  -9.981308      17.43989 
1 1 1 -23 4   8  o 27.339  10.053  91.930     87.620   115.788    106.468  41.858     154.241  30.033  11.076  28.295  12.238  1.737629       16.50609 
1 1 1 -23 4   9  o 33.924  7.1641  153.714    57.121   199.957    93.602   126.273    72.103   37.499  10.073  30.299  9.0865  7.200262       13.56583 
1 1 1 -23 4   10 o 32.340  7.0305  139.574    53.595   132.684    83.596   144.383    69.836   30.989  9.8702  32.351  8.7053  -1.362623      13.16061 
1 1 1 -23 4   11 o 30.929  7.5255  129.184    55.938   198.455    84.609   75.393     74.559   37.679  9.3089  25.198  9.2725  12.48012       13.13906 
1 1 1 -23 4   12 o 42.677  6.7675  238.963    67.741   290.049    97.035   190.396    94.612   45.880  9.0381  36.501  10.257  9.378712       13.67099 
1 1 1 -23 4   13 o 88.958  4.6101  989.879    99.167   982.294    141.158  997.271    139.346  87.159  6.7267  87.942  6.5780  -0.7827454     9.408383 
1 1 1 -23 4   14 o 27.936  12.260  28.621     159.637  28.621     159.637  0.0000     0.0000   27.936  12.260  ?       ?       0.000000       12.26000 
1 1 1 -23 4   15 o 81.421  12.835  996.971    245.175  996.971    245.175  0.0000     0.0000   81.421  12.835  ?       ?       0.000000       12.83523 
1 1 1 -23 4   16 o 32.597  13.504  120.421    174.736  120.421    174.736  0.0000     0.0000   32.597  13.504  ?       ?       0.000000       13.50401 
1 1 1 -23 4   17 o 51.951  9.1097  374.256    110.645  362.922    190.288  380.046    135.998  46.347  14.905  50.670  11.344  -4.323212      18.73106 
1 1 1 -23 4   18 o 94.276  4.4035  1110.06    100.731  1143.85    146.599  1079.84    138.643  93.978  6.4683  91.461  6.2855  2.517128       9.019259 
1 1 1 -23 4   19 o 94.586  4.4965  1119.85    103.196  1504.46    153.764  804.648    139.201  108.331 5.8717  77.845  7.4611  30.48615       9.494469 
1 1 1 -23 4   20 f 36.847  6.9754  182.300    60.081   303.830    93.860   97.935     78.202   46.814  8.5792  27.105  9.5569  19.70866       12.84282 
1 1 1 -23 4   21 o 38.036  7.0645  194.905    62.798   307.225    95.947   110.729    83.061   46.869  8.7589  28.349  9.8589  18.51977       13.18770 
1 1 1 -23 4   22 o 26.765  8.1641  99.104     57.846   29.677     88.837   150.209    76.218   22.323  9.4622  32.279  9.2534  -9.955915      13.23476 
1 1 1 -23 4   23 o 65.075  4.9438  539.227    77.478   557.232    117.434  525.349    103.100  64.091  7.7060  62.886  6.8685  1.204792       10.32274 
1 1 1 -23 4   24 o 100.081 4.5217  1262.03    109.803  1356.46    162.711  1183.07    148.790  101.432 6.6479  94.868  6.5031  6.563683       9.299722 
1 1 1 -23 4   25 o 43.948  6.1929  255.542    64.207   150.630    100.491  327.916    83.466   31.610  10.852  49.197  7.2057  -17.58634      13.02683 
1 1 1 -23 4   26 o 14.140  6.5450  -33.9230   53.122   33.763     88.049   -72.6618   66.611   22.248  9.4247  14.330  6.8426  7.918048       11.64671 
1 1 1 -23 4   27 o 43.194  8.4361  265.296    85.244   0.0000     0.0000   265.296    85.244   ?       ?       43.194  8.4361  0.000000       8.436114 
1 1 1 -23 4   28 o 29.583  11.715  124.060    124.890  0.0000     0.0000   124.060    124.890  ?       ?       29.583  11.715  0.000000       11.71497 
1 1 1 -23 4   29 o 34.388  12.169  195.857    126.895  0.0000     0.0000   195.857    126.895  ?       ?       34.388  12.169  0.000000       12.16862 
1 1 1 -23 4   30 o 51.730  5.9875  353.980    73.765   340.195    124.937  361.357    91.395   46.133  11.260  51.040  7.6127  -4.907307      13.59203 
1 1 1 -23 4   31 o 14.021  6.5475  -39.9234   55.017   -5.6088    72.390   -86.8491   84.653   18.169  8.1002  15.982  7.6535  2.187750       11.14406 
1 1 1 -23 4   32 o 30.613  8.4042  137.507    64.326   86.592     88.353   194.938    93.837   25.558  9.9326  35.106  10.327  -9.547550      14.32824 
1 1 1 -23 4   33 o 15.197  6.9235  -20.7540   56.289   -60.3942   74.498   31.984     85.929   15.666  7.4095  21.524  9.2197  -5.857988      11.82806 
1 1 1 -23 4   34 o 35.540  10.363  204.278    94.868   671.682    180.350  25.470     111.548  62.927  12.252  22.812  10.119  40.11505       15.89080 
1 1 1 -23 4   35 o 14.992  7.1701  -72.2013   73.738   153.125    157.014  -135.9590  83.522   30.205  12.679  14.164  6.9644  16.04140       14.46563 
1 1 1 -23 4   36 o 23.364  9.5485  66.891     85.831   327.958    188.034  -1.8220    96.467   37.894  14.554  20.132  9.1300  17.76196       17.18099 
1 1 1 -23 4   37 o 23.174  8.2843  77.390     58.955   25.997     80.698   136.216    86.337   20.209  8.7964  28.729  10.048  -8.519855      13.35433 
1 1 1 -23 4   38 o 41.142  7.0950  243.140    68.269   344.061    91.450   116.103    102.603  47.955  8.1511  26.695  10.603  21.26035       13.37426 
1 1 1 -23 4   39 o 13.323  6.3262  -47.5354   55.334   -17.7987   73.126   -87.3733   84.640   16.885  7.7667  15.364  7.4311  1.520994       10.74909 
1 1 1 -23 4   40 o 8.9288  4.5191  -155.6911  48.958   -187.8302  66.334   -117.2382  72.558   10.657  5.3799  13.053  6.4324  -2.396598      8.385670 
1 1 1 -23 4   41 o 14.820  6.8067  -16.7668   55.883   47.014     75.505   -94.0257   83.101   20.542  8.7161  14.809  7.2096  5.733361       11.31144 
1 1 1 -23 4   42 o 15.246  6.9414  -9.2346    56.461   -13.1417   76.459   -4.5489    83.732   17.072  7.8845  18.073  8.3124  -1.001900      11.45688 
1 1 1 -23 4   43 o 16.913  7.3956  15.802     57.624   -16.8956   77.400   56.465     86.313   16.901  7.8500  21.329  9.1902  -4.428747      12.08642 
1 1 1 -23 4   44 o 18.728  8.3071  23.362     75.166   -4.2180    84.262   130.811    166.319  17.979  8.2943  25.765  11.800  -7.786139      14.42360 
1 1 1 -23 4   45 o 15.631  7.3386  -30.0552   70.679   -26.3536   78.549   -45.8004   162.003  16.538  7.7554  20.862  10.136  -4.324032      12.76257 
1 1 1 -23 4   46 o 33.796  8.1352  183.472    65.909   133.488    88.585   245.449    98.642   26.702  10.052  35.793  10.604  -9.090685      14.61141 
1 1 1 -23 4   47 o 11.176  5.5219  -97.1784   54.705   -83.1197   74.529   -113.6006  80.551   14.083  6.8499  13.841  6.8122  0.2421522      9.660604 
1 1 1 -23 4   48 o 24.423  10.196  105.103    100.719  351.334    240.039  52.489     110.959  30.862  14.150  21.878  9.8685  8.983339       17.25106 
1 1 1 -23 4   49 o 45.944  11.036  407.142    121.491  836.532    273.273  301.367    135.633  43.875  17.343  35.108  12.564  8.767025       21.41595 
1 1 1 -23 4   50 o 22.317  9.5666  80.309     92.643   49.326     245.663  85.445     100.029  23.600  11.668  22.701  9.8371  0.8987999      15.26135 
1 1 1 -23 5   1  o 50.168  5.0553  319.936    60.699   320.646    87.017   319.264    84.711   48.904  7.5784  48.923  7.3645  -0.1821899E-01 10.56728 
1 1 1 -23 5   2  o 56.161  4.8188  398.306    65.030   413.469    92.600   383.552    91.346   56.083  6.9539  53.866  7.1668  2.217346       9.985969 
1 1 1 -23 5   3  o 68.284  4.7966  586.923    78.969   569.320    104.161  610.718    121.100  66.218  6.5695  67.974  7.4653  -1.755920      9.944341 
1 1 1 -23 5   4  o 63.526  7.4749  533.320    113.014  552.627    134.521  487.001    208.360  63.589  8.9675  53.901  15.248  9.687302       17.68947 
1 1 1 -23 5   5  o 50.885  8.8562  354.828    105.375  400.856    124.616  239.333    197.397  53.360  9.9920  39.291  14.955  14.06906       17.98571 
1 1 1 -23 5   6  o 39.426  10.219  222.844    98.566   159.508    114.347  405.979    194.441  33.540  11.573  49.577  14.934  -16.03685      18.89308 
1 1 1 -23 5   7  o 72.345  7.1338  683.482    123.595  638.383    149.632  780.325    219.267  68.299  9.2686  71.920  13.045  -3.621323      16.00276 
1 1 1 -23 5   8  o 75.766  4.5566  718.110    83.379   600.670    121.910  821.331    114.291  67.501  7.5740  80.239  5.9120  -12.73887      9.608143 
1 1 1 -23 5   9  o 73.003  4.6073  667.265    81.192   600.811    119.666  723.954    110.524  67.622  7.4148  75.187  6.1112  -7.564522      9.608671 
1 1 1 -23 5   10 o 77.704  4.5164  754.819    84.786   714.162    124.321  790.172    115.929  74.070  7.0003  78.550  6.1311  -4.480232      9.305592 
1 1 1 -23 5   11 f 57.656  5.9084  425.976    81.490   424.964    132.066  426.598    103.555  54.815  10.308  56.667  7.7333  -1.852261      12.88632 
1 1 1 -23 5   12 o 30.528  8.2610  127.834    62.681   10.104     91.821   230.575    85.777   21.817  9.4394  40.803  8.9132  -18.98615      12.98262 
1 1 1 -23 5   13 f 52.448  14.730  451.324    195.185  451.324    195.185  0.0000     0.0000   52.448  14.730  ?       ?       0.000000       14.73048 
1 1 1 -23 5   14 o 72.109  13.544  803.030    228.268  803.030    228.268  0.0000     0.0000   72.109  13.544  ?       ?       0.000000       13.54375 
1 1 1 -23 5   15 o 72.406  13.242  805.521    224.064  805.521    224.064  0.0000     0.0000   72.406  13.242  ?       ?       0.000000       13.24157 
1 1 1 -23 5   16 o 66.167  7.7870  584.416    122.626  687.914    215.242  534.681    149.208  65.871  13.904  61.169  10.427  4.702351       17.37906 
1 1 1 -23 5   17 o 49.390  5.7379  314.255    67.481   343.752    105.748  293.993    87.645   49.654  9.1130  46.494  8.0611  3.159416       12.16674 
1 1 1 -23 5   18 o 50.286  5.8386  326.772    69.913   513.901    108.033  191.934    91.705   62.215  7.2949  36.310  10.061  25.90472       12.42768 
1 1 1 -23 5   19 o 37.435  7.1573  188.905    62.642   248.668    100.611  151.072    80.050   41.252  10.127  32.436  9.5371  8.815678       13.91052 
1 1 1 -23 5   20 o 52.881  5.4572  359.432    69.015   337.973    107.557  374.451    89.982   48.711  9.4409  52.942  7.1908  -4.230598      11.86757 
1 1 1 -23 5   21 f 31.183  7.8637  135.329    59.488   153.300    91.621   122.232    78.218   32.276  10.339  29.329  9.5665  2.947411       14.08570 
1 1 1 -23 5   22 o 27.132  7.9761  102.394    55.995   133.554    84.763   78.265     74.588   30.351  9.9616  24.939  9.2561  5.411976       13.59814 
1 1 1 -23 5   23 o 53.570  5.5111  371.175    70.614   382.562    108.060  362.688    93.286   52.001  8.8833  51.505  7.7010  0.4957161      11.75658 
1 1 1 -23 5   24 o 63.935  5.0145  522.860    77.167   572.600    117.358  484.975    102.423  64.858  7.6015  59.992  7.1788  4.866142       10.45555 
1 1 1 -23 5   25 o 60.603  5.0436  471.043    73.492   430.965    111.907  501.436    97.452   55.238  8.6319  61.355  6.6526  -6.117393      10.89799 
1 1 1 -23 5   26 o 99.489  6.4378  1307.82    154.577  0.0000     0.0000   1307.82    154.577  ?       ?       99.489  6.4378  0.000000       6.437840 
1 1 1 -23 5   27 o 24.282  10.547  37.620     115.520  0.0000     0.0000   37.620     115.520  ?       ?       24.282  10.547  0.000000       10.54655 
1 1 1 -23 5   28 o 14.925  7.2665  -121.1314  84.459   0.0000     0.0000   -121.1314  84.459   ?       ?       14.925  7.2665  0.000000       7.266473 
1 1 1 -23 5   29 o 33.489  9.4909  169.225    80.649   186.376    105.204  144.781    125.595  34.098  11.093  30.726  11.870  3.372324       16.24669 
1 1 1 -23 5   30 o 36.286  6.5189  179.024    55.285   151.315    74.487   213.009    82.494   31.791  9.1577  37.866  9.0931  -6.074696      12.90541 
1 1 1 -23 5   31 o 33.474  8.0894  161.979    64.973   181.909    88.588   138.777    95.583   34.152  10.030  29.937  10.565  4.215012       14.56764 
1 1 1 -23 5   32 o 21.461  8.2472  55.028     60.397   133.195    81.102   -42.2955   90.496   29.470  9.7476  18.203  8.4659  11.26717       12.91075 
1 1 1 -23 5   33 o 53.987  5.7857  387.197    74.609   332.848    100.608  453.608    111.212  47.166  9.1210  55.921  8.4607  -8.755356      12.44085 
1 1 1 -23 5   34 o 18.985  8.5546  -5.4927    83.123   -41.1427   162.621  7.1156     96.711   23.276  10.990  20.774  9.3046  2.501616       14.39992 
1 1 1 -23 5   35 o 25.625  10.040  94.911     90.838   42.394     175.505  114.128    106.165  26.012  11.990  27.262  10.799  -1.250134      16.13624 
1 1 1 -23 5   36 o 14.098  6.5653  -32.7475   54.703   48.132     74.660   -126.4952  80.380   21.302  8.8260  13.938  6.8492  7.363450       11.17182 
1 1 1 -23 5   37 o 19.477  7.9045  40.661     58.313   93.279     79.458   -20.7574   85.845   24.843  9.4803  18.123  8.3646  6.719528       12.64289 
1 1 1 -23 5   38 o 17.552  7.5247  19.283     57.325   51.512     78.006   -18.5585   84.526   21.389  8.9549  17.967  8.2951  3.422012       12.20653 
1 1 1 -23 5   39 o 21.951  8.3273  69.112     61.078   45.073     81.337   100.192    92.487   20.961  8.9741  25.026  10.025  -4.065245      13.45504 
1 1 1 -23 5   40 o 40.622  7.1935  243.718    68.309   201.434    92.597   294.204    101.179  33.214  10.363  40.988  10.211  -7.774738      14.54852 
1 1 1 -23 5   41 o 20.043  7.9852  52.991     58.350   7.0986     81.149   102.118    83.961   18.466  8.3742  24.625  9.6513  -6.159193      12.77792 
1 1 1 -23 5   42 o 23.064  8.4258  84.968     61.404   15.049     88.769   149.119    85.028   19.256  8.7425  28.354  9.9684  -9.097555      13.25902 
1 1 1 -23 5   43 o 17.628  7.9958  4.9746     74.033   25.456     82.902   -75.6707   164.504  19.335  8.6405  20.359  9.9615  -1.024267      13.18671 
1 1 1 -23 5   44 o 21.839  9.0536  69.850     78.621   92.517     88.314   -16.7360   172.604  23.568  9.6648  21.828  10.571  1.739933       14.32331 
1 1 1 -23 5   45 f 20.055  7.9549  55.552     57.674   72.822     80.738   37.557     82.415   22.112  9.1713  19.948  8.7803  2.163729       12.69676 
1 1 1 -23 5   46 o 58.734  9.8989  597.314    136.057  726.952    157.179  209.867    271.728  63.590  10.557  27.363  13.255  36.22751       16.94518 
1 1 1 -23 5   47 o 10.520  5.2299  -105.7314  51.991   -141.3432  68.058   -55.8247   80.567   11.722  5.8524  15.589  7.4656  -3.866162      9.486119 
1 1 1 -23 5   48 o 24.422  11.949  65.414     236.601  65.414     236.601  0.0000     0.0000   24.422  11.949  ?       ?       0.000000       11.94887 
1 1 1 -23 5   49 o 22.559  9.6025  82.623     92.156   -48.4865   241.478  104.974    99.702   22.385  11.151  23.946  10.080  -1.561245      15.03184 
1 1 1 -23 5   50 o 19.746  8.9958  34.108     95.023   16.782     240.918  37.300     103.406  22.656  11.262  20.212  9.2744  2.443262       14.58920 
1 1 1 -23 6   1  f 52.903  4.9840  355.152    63.223   304.410    90.071   404.434    88.765   47.272  8.1468  55.533  6.7248  -8.260101      10.56371 
1 1 1 -23 6   2  o 71.856  4.4731  647.318    77.602   660.990    108.706  633.110    110.817  71.479  6.3333  69.742  6.6283  1.737297       9.167580 
1 1 1 -23 6   3  o 128.700 6.5818  2140.69    204.849  2159.64    255.407  2106.50    342.982  126.959 8.3373  119.627 11.977  7.331306       14.59321 
1 1 1 -23 6   4  o 94.849  6.4986  1161.51    148.658  1042.56    180.664  1410.91    261.594  87.915  8.5786  99.245  11.051  -11.33003      13.98974 
1 1 1 -23 6   5  o 75.989  6.8723  751.738    125.341  702.285    148.661  873.329    233.105  72.016  8.6826  75.738  13.162  -3.721581      15.76809 
1 1 1 -23 6   6  o 62.774  5.2823  499.623    79.709   467.417    130.907  518.600    100.485  57.952  9.6488  63.185  6.6542  -5.232861      11.72083 
1 1 1 -23 6   7  o 32.185  7.2628  139.400    55.371   143.197    81.210   136.100    75.695   31.952  9.6571  31.254  9.2958  0.6975517      13.40415 
1 1 1 -23 6   8  o 51.138  5.3206  332.661    65.052   336.204    96.220   329.677    88.286   49.895  8.2351  49.796  7.5432  0.9877014E-01  11.16767 
1 1 1 -23 6   9  o 47.379  5.8065  288.503    65.355   225.952    98.409   337.863    87.417   39.706  10.170  50.529  7.3451  -10.82359      12.54477 
1 1 1 -23 6   10 o 30.726  8.2326  129.598    62.617   101.921    93.275   152.303    84.484   28.325  10.379  32.844  9.8326  -4.518440      14.29707 
1 1 1 -23 6   11 o 57.750  5.4718  424.688    75.759   394.844    104.503  457.745    109.985  54.128  8.2149  58.516  7.9523  -4.388157      11.43344 
1 1 1 -23 6   12 f 75.585  12.878  863.113    227.711  863.113    227.711  0.0000     0.0000   75.585  12.878  ?       ?       0.000000       12.87779 
1 1 1 -23 6   13 o 98.908  11.549  1421.38    271.941  1421.38    271.941  0.0000     0.0000   98.908  11.549  ?       ?       0.000000       11.54878 
1 1 1 -23 6   14 o 121.937 11.646  2169.87    340.385  2169.87    340.385  0.0000     0.0000   121.937 11.646  ?       ?       0.000000       11.64622 
1 1 1 -23 6   15 o 74.539  7.0679  729.400    126.303  877.869    225.909  661.888    152.337  76.029  12.693  69.125  9.3201  6.903572       15.74762 
1 1 1 -23 6   16 o 57.121  5.4772  417.331    74.983   431.209    110.766  405.591    101.876  56.250  8.3707  54.863  7.8790  1.386173       11.49555 
1 1 1 -23 6   17 o 36.378  7.0704  177.915    60.160   132.827    96.359   206.717    77.014   30.696  10.622  38.544  8.4662  -7.847980      13.58316 
1 1 1 -23 6   18 o 39.297  6.9377  206.635    63.732   294.114    104.838  155.356    80.267   45.153  9.8464  32.866  9.5177  12.28680       13.69445 
1 1 1 -23 6   19 o 46.925  5.9307  286.617    66.019   236.285    105.700  318.810    84.535   39.674  10.724  48.664  7.3916  -8.989979      13.02468 
1 1 1 -23 6   20 o 41.214  6.6881  226.467    64.590   269.453    102.316  197.986    83.283   42.836  10.022  37.033  9.2855  5.803627       13.66237 
1 1 1 -23 6   21 o 37.861  7.4034  196.062    65.575   288.590    104.090  135.175    84.437   44.340  9.9228  30.504  9.9391  13.83589       14.04448 
1 1 1 -23 6   22 o 71.711  4.8912  654.554    84.600   587.598    130.607  702.953    111.044  65.010  8.4820  73.213  6.3126  -8.203621      10.57322 
1 1 1 -23 6   23 o 43.465  6.5759  252.504    67.185   321.978    104.559  203.649    87.681   47.034  9.4892  37.061  9.6542  9.973698       13.53690 
1 1 1 -23 6   24 o 66.151  5.1048  561.452    81.303   737.253    123.007  425.069    108.342  74.245  6.9073  55.076  8.3707  19.16854       10.85261 
1 1 1 -23 6   25 f 75.126  6.4759  748.128    116.893  0.0000     0.0000   748.128    116.893  ?       ?       75.126  6.4759  0.000000       6.475871 
1 1 1 -23 6   26 o 23.985  10.310  41.067     108.124  0.0000     0.0000   41.067     108.124  ?       ?       23.985  10.310  0.000000       10.30982 
1 1 1 -23 6   27 o 37.008  12.465  233.157    132.534  0.0000     0.0000   233.157    132.534  ?       ?       37.008  12.465  0.000000       12.46531 
1 1 1 -23 6   28 o 27.797  9.2929  112.724    73.653   99.002     93.967   134.584    118.605  26.905  10.299  29.970  11.547  -3.065607      15.47269 
1 1 1 -23 6   29 o 26.074  7.3115  95.608     48.127   40.436     62.116   178.471    76.124   20.392  8.1992  34.664  8.9787  -14.27235      12.15913 
1 1 1 -23 6   30 o 39.397  7.5641  218.241    69.679   185.806    94.261   257.318    103.464  34.252  10.416  40.397  10.470  -6.144783      14.76825 
1 1 1 -23 6   31 o 20.791  8.2362  46.633     61.751   39.043     83.527   55.783     91.704   21.828  9.2092  23.453  9.7549  -1.625437      13.41517 
1 1 1 -23 6   32 o 19.450  7.9825  33.245     60.306   7.4288     81.525   64.443     89.621   19.650  8.6868  23.793  9.7441  -4.142801      13.05406 
1 1 1 -23 6   33 o 32.491  10.751  175.238    98.652   328.977    215.855  134.647    110.913  37.714  15.242  29.041  11.172  8.672554       18.89815 
1 1 1 -23 6   34 o 17.869  8.2764  -31.3441   85.131   -251.1339  201.808  16.234     93.894   20.966  10.402  20.894  9.2753  0.7139587E-01  13.93698 
1 1 1 -23 6   35 o 24.132  8.7074  85.039     65.285   176.907    87.816   -28.4664   97.612   32.649  10.076  19.000  8.8220  13.64874       13.39262 
1 1 1 -23 6   36 o 17.339  7.5575  11.191     59.750   -80.5953   86.643   94.422     82.506   15.937  7.6613  25.025  9.6335  -9.087506      12.30854 
1 1 1 -23 6   37 o 22.193  8.4056  69.300     62.169   50.622     89.171   86.964     86.720   21.956  9.3980  24.293  9.7160  -2.337248      13.51750 
1 1 1 -23 6   38 o 30.255  8.4707  145.415    64.649   114.334    88.959   180.201    94.113   26.143  10.018  31.560  10.503  -5.416681      14.51486 
1 1 1 -23 6   39 o 41.184  7.4836  253.383    72.028   301.112    96.675   193.830    107.987  42.407  9.6168  31.403  11.213  11.00399       14.77234 
1 1 1 -23 6   40 o 16.503  7.3532  5.1213     59.566   -22.4473   85.649   30.946     82.896   17.511  8.1746  19.886  8.7768  -2.374912      11.99400 
1 1 1 -23 6   41 o 14.834  6.8864  -22.3708   59.446   -12.3358   79.555   -35.0575   89.451   17.321  8.0146  17.210  8.1336  0.1104774      11.41882 
1 1 1 -23 6   42 o 15.276  7.0071  -12.0964   58.959   -4.5019    78.964   -21.6646   88.632   17.554  8.0730  17.575  8.2405  -0.2135086E-01 11.53601 
1 1 1 -23 6   43 o 24.845  11.652  102.771    177.414  0.0000     0.0000   102.771    177.414  ?       ?       24.845  11.652  0.000000       11.65219 
1 1 1 -23 6   44 o 26.570  9.7914  130.604    83.179   97.513     93.546   255.570    181.788  23.891  9.8876  29.814  13.084  -5.923050      16.39948 
1 1 1 -23 6   45 o 12.281  5.9936  -78.5492   58.445   56.768     80.739   -227.5079  84.712   21.031  8.9708  11.878  6.0052  9.152430       10.79529 
1 1 1 -23 6   46 o 20.431  8.1474  58.523     60.797   75.373     81.463   37.340     91.341   22.303  9.2285  20.385  9.0927  1.918253       12.95539 
1 1 1 -23 6   47 f 25.869  12.777  138.017    292.124  138.017    292.124  0.0000     0.0000   25.869  12.777  ?       ?       0.000000       12.77747 
1 1 1 -23 6   48 o 17.588  8.2270  -13.6623   87.451   73.192     290.901  -22.2915   91.692   24.594  12.249  17.559  8.2790  7.035027       14.78485 
1 1 1 -23 6   49 o 21.571  9.4145  69.671     92.992   -69.3831   306.377  83.782     97.597   22.683  11.464  22.426  9.7171  0.2578926      15.02800 
1 1 1 -23 7   1  o 60.691  4.8451  465.715    70.754   467.431    100.349  464.019    99.776   59.475  7.0936  59.265  7.0785  0.2095451      10.02121 
1 1 1 -23 7   2  o 66.724  7.4270  590.430    118.202  526.689    138.457  761.743    226.986  61.294  9.6269  69.134  14.011  -7.839951      16.99981 
1 1 1 -23 7   3  o 29.148  10.121  115.331    87.514   90.379     97.496   218.807    198.544  27.444  10.495  37.785  14.832  -10.34064      18.16899 
1 1 1 -23 7   4  o 68.632  7.1805  619.421    117.806  657.914    138.595  519.201    223.634  69.838  8.3440  54.647  15.904  15.19121       17.96025 
1 1 1 -23 7   5  o 49.003  5.9386  309.777    69.168   248.290    115.183  344.454    86.501   40.885  11.255  51.040  7.1834  -10.15464      13.35194 
1 1 1 -23 7   6  o 76.535  5.0048  738.756    92.430   755.746    150.385  728.441    117.175  74.910  8.4196  75.033  6.5003  -0.1230011     10.63692 
1 1 1 -23 7   7  o 19.692  7.3573  41.507     47.278   -14.6663   72.101   83.877     62.619   18.158  8.0904  25.379  8.5681  -7.220881      11.78421 
1 1 1 -23 7   8  f 18.651  7.5274  25.761     52.567   116.561    81.480   -38.9760   68.800   29.235  9.7742  16.407  7.5419  12.82771       12.34568 
1 1 1 -23 7   9  o 37.674  7.3479  190.413    64.757   248.443    96.106   142.158    87.639   41.890  9.6536  31.762  10.105  10.12759       13.97505 
1 1 1 -23 7   10 o 80.308  4.7851  810.563    92.820   930.738    133.236  697.236    129.383  84.847  6.5217  72.705  7.4389  12.14188       9.892928 
1 1 1 -23 7   11 o 51.251  8.4828  357.967    101.798  652.600    225.736  282.753    114.054  63.011  14.984  43.983  10.773  19.02811       18.45432 
1 1 1 -23 7   12 o 25.952  11.672  -7.1449    153.934  -7.1449    153.934  0.0000     0.0000   25.952  11.672  ?       ?       0.000000       11.67243 
1 1 1 -23 7   13 o 36.806  14.074  204.802    175.331  204.802    175.331  0.0000     0.0000   36.806  14.074  ?       ?       0.000000       14.07376 
1 1 1 -23 7   14 o 69.546  7.2508  638.801    120.555  564.200    210.049  675.445    147.215  58.128  14.841  70.203  8.8383  -12.07499      17.27367 
1 1 1 -23 7   15 o 63.819  5.3519  519.310    82.110   420.348    117.130  614.937    115.139  54.956  9.1026  68.317  7.0471  -13.36168      11.51166 
1 1 1 -23 7   16 o 37.168  7.0136  185.437    60.933   174.407    102.359  191.492    75.834   34.317  10.921  36.964  8.6146  -2.646244      13.90964 
1 1 1 -23 7   17 o 19.724  7.8757  33.804     56.878   111.176    95.660   -8.5071    70.741   28.750  10.515  18.205  8.0678  10.54490       13.25311 
1 1 1 -23 7   18 o 89.713  4.5756  1013.69    99.272   1090.61    147.436  949.894    134.268  91.179  6.7113  85.227  6.5427  5.951950       9.372810 
1 1 1 -23 7   19 o 90.895  4.6031  1042.18    101.190  1072.74    149.181  1016.14    137.716  90.151  6.8716  88.117  6.4867  2.034531       9.449708 
1 1 1 -23 7   20 o 27.848  8.1160  108.517    58.200   74.701     96.105   128.100    73.136   25.741  10.250  29.873  9.1918  -4.132076      13.76790 
1 1 1 -23 7   21 o 17.809  7.4601  16.794     54.175   -7.3394    91.807   29.688     67.104   20.379  9.1010  20.240  8.3752  0.1393337      12.36823 
1 1 1 -23 7   22 o 16.720  7.3607  -3.7513    57.944   111.378    94.326   -73.5277   73.433   28.274  10.426  15.244  7.2527  13.03040       12.70030 
1 1 1 -23 7   23 o 63.528  5.1416  518.517    78.577   471.882    121.089  552.439    103.273  57.513  8.9697  64.365  6.7113  -6.852100      11.20254 
1 1 1 -23 7   24 o 78.494  6.6422  820.101    125.320  0.0000     0.0000   820.101    125.320  ?       ?       78.494  6.6422  0.000000       6.642217 
1 1 1 -23 7   25 o 27.726  11.219  97.951     117.103  0.0000     0.0000   97.951     117.103  ?       ?       27.726  11.219  0.000000       11.21923 
1 1 1 -23 7   26 o 17.093  8.1443  -84.5276   93.301   0.0000     0.0000   -84.5276   93.301   ?       ?       17.093  8.1443  0.000000       8.144317 
1 1 1 -23 7   27 o 35.930  9.3364  193.414    82.138   199.719    101.351  181.348    140.208  35.437  10.806  33.098  12.602  2.339127       16.60063 
1 1 1 -23 7   28 o 27.364  7.4285  105.844    50.589   102.461    64.965   111.056    80.634   26.662  8.7196  27.581  9.7065  -0.9186707     13.04792 
1 1 1 -23 7   29 o 21.766  8.3244  56.794     61.348   -27.3329   89.370   131.760    84.364   18.810  8.6278  29.425  9.9451  -10.61437      13.16601 
1 1 1 -23 7   30 o 13.977  6.5988  -50.7852   58.601   -77.4714   82.664   -23.8267   83.085   16.008  7.6379  18.271  8.3577  -2.262962      11.32201 
1 1 1 -23 7   31 o 26.292  8.7543  101.378    65.375   69.032     88.494   140.241    97.000   24.067  9.7479  29.758  10.627  -5.691086      14.42098 
1 1 1 -23 7   32 o 41.475  10.342  276.131    103.723  -53.6884   221.807  368.441    117.344  25.701  12.329  48.196  10.344  -22.49467      16.09378 
1 1 1 -23 7   33 o 39.819  10.691  263.568    105.472  657.245    227.330  155.580    119.062  53.972  16.123  30.210  11.587  23.76178       19.85415 
1 1 1 -23 7   34 o 34.809  10.885  209.773    102.098  146.362    225.542  226.116    114.502  29.844  13.695  35.354  11.577  -5.509478      17.93263 
1 1 1 -23 7   35 o 31.509  8.3909  152.692    65.296   106.873    91.473   200.298    93.238   26.145  10.121  34.256  10.346  -8.111349      14.47372 
1 1 1 -23 7   36 o 11.869  5.8307  -97.0016   58.139   -29.4280   81.642   -166.5243  82.811   17.272  8.0357  13.125  6.5369  4.147436       10.35876 
1 1 1 -23 7   37 o 17.698  7.7181  15.502     62.386   -70.3655   84.173   120.166    92.931   15.839  7.5975  26.613  10.229  -10.77408      12.74214 
1 1 1 -23 7   38 o 16.551  7.3905  2.3758     60.518   -19.0965   81.107   29.345     90.899   17.423  8.0726  20.492  9.1102  -3.069727      12.17218 
1 1 1 -23 7   39 o 16.401  7.3233  3.4435     59.421   -49.3834   83.220   58.391     84.874   16.264  7.7331  21.652  9.2158  -5.387846      12.03044 
1 1 1 -23 7   40 o 15.484  7.0950  -12.0440   60.235   33.876     81.483   -67.3748   89.444   19.832  8.7300  16.108  7.7532  3.724747       11.67578 
1 1 1 -23 7   41 o 19.208  8.0615  41.873     63.460   -50.8525   85.636   154.809    94.509   16.242  7.7563  28.158  10.425  -11.91574      12.99421 
1 1 1 -23 7   42 o 31.118  14.360  384.118    252.894  0.0000     0.0000   384.118    252.894  ?       ?       31.118  14.360  0.000000       14.36035 
1 1 1 -23 7   43 o 27.401  10.131  144.271    89.192   143.392    96.937   149.124    227.726  26.992  10.428  26.039  12.492  0.9528389      16.27234 
1 1 1 -23 7   44 o 17.151  7.4897  18.807     58.928   3.2849     81.284   36.002     85.554   18.043  8.2583  19.975  8.8613  -1.932302      12.11287 
1 1 1 -23 7   45 f 24.273  8.6503  98.602     64.234   209.159    90.026   -16.0486   91.677   33.330  10.189  17.989  8.4175  15.34041       13.21591 
1 1 1 -23 7   46 o 17.090  8.1214  -38.6948   91.548   -54.4544   270.198  -36.6510   97.303   23.287  11.631  17.594  8.3642  5.693338       14.32647 
1 1 1 -23 7   47 o 42.984  11.376  372.571    120.505  -451.9647  316.058  512.821    130.351  ?       ?       52.657  10.570  0.000000       10.56959 
1 1 1 -23 7   48 o 24.006  10.189  109.659    103.230  263.913    295.288  88.182     110.183  26.502  13.044  22.890  10.110  3.612286       16.50289 
1 1 1 -23 7   49 o 32.257  11.546  251.746    114.545  494.104    312.017  213.996    123.144  28.391  13.854  28.815  11.559  -0.4242706     18.04322 
1 1 1 -23 8   1  o 73.339  7.3770  713.786    129.494  697.980    152.292  755.040    246.043  71.053  9.0380  66.473  15.534  4.580116       17.97195 
1 1 1 -23 8   2  o 20.448  8.9672  0.6914     85.264   6.9392     95.949   -22.7671   185.918  21.847  9.5483  27.268  12.484  -5.420454      15.71666 
1 1 1 -23 8   3  o 20.377  9.0232  -6.8392    88.321   -11.3805   98.087   12.619     203.038  21.134  9.4248  29.392  13.295  -8.258541      16.29684 
1 1 1 -23 8   4  o 43.563  6.1568  247.165    63.265   204.862    90.855   286.984    88.147   37.758  9.8232  45.864  8.2228  -8.106281      12.81053 
1 1 1 -23 8   5  o 31.685  7.3289  136.019    55.223   58.758     85.141   192.126    72.554   24.324  9.6599  37.365  8.2255  -13.04040      12.68751 
1 1 1 -23 8   6  o 31.033  7.4410  130.823    55.305   3.6591     84.164   227.460    73.369   20.569  8.9675  41.058  7.6460  -20.48879      11.78461 
1 1 1 -23 8   7  o 61.982  5.0823  486.542    75.762   415.207    103.624  568.466    111.049  55.616  7.9010  65.794  7.0668  -10.17789      10.60026 
1 1 1 -23 8   8  o 68.159  4.8962  586.062    80.435   613.383    115.272  560.136    112.291  68.376  7.0490  65.199  7.2192  3.177681       10.08986 
1 1 1 -23 8   9  o 42.982  6.5292  242.447    65.952   197.174    96.729   281.778    90.157   36.822  10.380  45.296  8.5156  -8.474483      13.42591 
1 1 1 -23 8   10 o 26.426  9.5927  88.264     79.409   20.786     211.999  99.277     85.644   30.187  13.626  27.656  9.9740  2.531799       16.88666 
1 1 1 -23 8   11 o 49.891  16.487  453.288    232.050  453.288    232.050  0.0000     0.0000   49.891  16.487  ?       ?       0.000000       16.48750 
1 1 1 -23 8   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 8   13 o 30.826  13.025  96.008     167.495  96.008     167.495  0.0000     0.0000   30.826  13.025  ?       ?       0.000000       13.02524 
1 1 1 -23 8   14 f 69.714  5.1939  617.867    87.228   592.044    120.859  645.941    126.019  66.534  7.6240  69.549  7.5909  -3.014664      10.75857 
1 1 1 -23 8   15 o 59.946  4.9597  456.172    71.492   517.611    109.123  409.970    94.629   62.304  7.3606  55.488  7.1980  6.815575       10.29512 
1 1 1 -23 8   16 o 60.263  4.9513  461.399    71.759   531.505    110.268  409.898    94.510   63.087  7.3407  55.425  7.1975  7.661911       10.28057 
1 1 1 -23 8   17 o 46.963  5.8736  287.057    65.466   338.853    105.055  254.173    83.706   48.884  9.1945  42.722  8.3743  6.161480       12.43654 
1 1 1 -23 8   18 o 64.792  5.0229  534.979    78.349   498.559    120.219  561.870    103.299  59.991  8.4964  65.296  6.6111  -5.305004      10.76549 
1 1 1 -23 8   19 o 120.806 4.6138  1840.16    135.243  2034.66    196.109  1663.77    186.760  124.589 6.5097  112.127 6.8980  12.46207       9.484662 
1 1 1 -23 8   20 o 57.004  5.4206  419.366    74.073   513.494    115.061  352.744    96.800   61.161  7.9408  50.380  8.2008  10.78091       11.41532 
1 1 1 -23 8   21 f 45.397  6.1997  272.634    66.506   284.693    102.500  263.866    87.401   43.799  9.8800  43.040  8.6689  0.7592735      13.14400 
1 1 1 -23 8   22 o 67.818  4.9763  588.665    81.315   576.703    124.458  597.573    107.409  64.443  8.1411  66.952  6.7017  -2.509338      10.54469 
1 1 1 -23 8   23 o 21.455  8.3552  50.466     62.618   76.016     115.425  39.811     74.540   26.413  10.961  21.507  8.8563  4.906422       14.09211 
1 1 1 -23 8   24 o 55.890  13.107  529.205    174.667  0.0000     0.0000   529.205    174.667  ?       ?       55.890  13.107  0.000000       13.10689 
1 1 1 -23 8   25 o 20.079  9.2150  -29.0951   102.156  0.0000     0.0000   -29.0951   102.156  ?       ?       20.079  9.2150  0.000000       9.214985 
1 1 1 -23 8   26 o 62.797  7.7012  546.540    114.885  733.455    146.739  250.518    184.665  71.781  8.5961  36.529  14.314  35.25130       16.69704 
1 1 1 -23 8   27 o 115.784 4.8856  1715.42    137.255  1519.92    213.168  1853.86    179.389  103.367 8.5766  118.271 6.2735  -14.90396      10.62613 
1 1 1 -23 8   28 o 40.453  7.4555  229.027    70.484   244.231    96.276   211.465    103.471  39.745  9.9936  36.137  10.896  3.607430       14.78475 
1 1 1 -23 8   29 o 25.644  8.7924  94.425     65.951   152.039    92.528   34.929     94.027   31.022  10.416  22.323  9.6053  8.698990       14.16847 
1 1 1 -23 8   30 o 19.841  8.0025  38.704     59.369   48.482     83.256   28.588     84.683   22.346  9.2946  21.164  9.1109  1.182831       13.01532 
1 1 1 -23 8   31 o 51.706  9.3323  404.159    112.774  411.543    232.806  401.895    128.908  40.865  16.054  49.635  10.993  -8.769794      19.45738 
1 1 1 -23 8   32 o 51.682  9.1916  405.146    111.039  569.997    251.100  365.073    123.802  46.342  17.022  46.794  11.076  -0.4516029     20.30823 
1 1 1 -23 8   33 o 15.863  7.4872  -52.2651   75.343   -360.6981  215.096  -9.1299    80.439   20.027  10.056  18.362  8.3309  1.665333       13.05880 
1 1 1 -23 8   34 o 23.228  8.5827  77.363     63.989   25.591     93.249   123.440    87.969   21.033  9.2947  27.516  10.080  -6.482578      13.71127 
1 1 1 -23 8   35 o 26.295  8.8055  108.849    66.131   68.199     89.146   158.596    98.617   23.126  9.6182  29.897  10.712  -6.771278      14.39613 
1 1 1 -23 8   36 o 25.447  8.7722  102.615    65.690   27.414     89.789   189.218    96.357   20.538  9.0960  32.322  10.622  -11.78425      13.98415 
1 1 1 -23 8   37 o ?       ?       -256.3492  44.947   -339.6600  65.576   -182.5292  61.728   ?       ?       10.165  5.1378  0.000000       5.137839 
1 1 1 -23 8   38 o 24.212  8.7231  94.443     65.488   116.286    88.545   68.068     97.301   25.828  9.9695  22.698  9.7688  3.130060       13.95776 
1 1 1 -23 8   39 o 34.711  8.6907  198.367    73.029   152.988    102.917  244.390    103.644  27.904  10.755  35.369  10.952  -7.464464      15.34954 
1 1 1 -23 8   40 o 26.300  8.6825  117.210    64.358   153.984    90.027   78.773     92.039   28.337  10.225  22.771  9.6405  5.565203       14.05312 
1 1 1 -23 8   41 o 24.009  9.7394  99.930     88.487   91.387     95.689   150.354    232.478  23.477  9.8783  26.072  12.537  -2.594967      15.96116 
1 1 1 -23 8   42 o 13.581  6.7087  -121.3115  80.614   -131.2663  86.572   -56.3679   221.121  13.933  6.8953  22.263  11.018  -8.330369      12.99800 
1 1 1 -23 8   43 o 15.068  6.9489  -15.1168   59.067   31.342     82.724   -63.4377   84.366   19.533  8.6869  15.628  7.5242  3.904295       11.49241 
1 1 1 -23 8   44 f 18.859  7.8829  40.506     60.307   -2.0158    83.522   86.823     87.169   17.958  8.2752  23.113  9.5534  -5.154449      12.63909 
1 1 1 -23 8   45 o 28.026  8.7261  134.716    65.693   116.628    90.130   155.216    95.952   25.178  9.9578  27.919  10.471  -2.741161      14.45018 
1 1 1 -23 8   46 o 23.686  11.885  -27.9110   297.698  -27.9110   297.698  0.0000     0.0000   23.686  11.885  ?       ?       0.000000       11.88496 
1 1 1 -23 8   47 o 23.273  9.6351  95.759     88.873   -733.8869  290.113  181.679    93.361   ?       ?       29.701  10.445  0.000000       10.44530 
1 1 1 -23 8   48 o 23.427  10.052  105.907    102.471  217.282    297.067  90.865     109.172  25.180  12.515  22.652  10.031  2.527906       16.03889 
1 1 1 -23 9   1  o 44.015  10.099  281.749    105.572  183.300    119.687  626.853    224.087  34.847  11.845  60.353  15.286  -25.50555      19.33802 
1 1 1 -23 9   2  o 76.923  7.3178  784.046    134.938  759.100    157.484  852.943    261.716  74.213  8.9247  70.591  15.687  3.621826       18.04796 
1 1 1 -23 9   3  o 90.467  4.4334  1023.47    97.317   1013.94    136.249  1033.40    139.048  88.449  6.3916  89.230  6.4661  -0.7817841     9.091960 
1 1 1 -23 9   4  o 131.526 4.5849  2166.95    146.322  2236.36    204.096  2093.54    209.887  131.681 6.3877  126.699 6.8528  4.981758       9.368236 
1 1 1 -23 9   5  o 116.319 4.4663  1691.64    126.057  1601.35    174.637  1789.86    182.141  111.191 6.5013  117.681 6.4028  -6.490097      9.124838 
1 1 1 -23 9   6  o 62.359  5.3589  495.516    80.297   432.533    113.017  559.717    114.105  56.234  8.5525  64.978  7.3675  -8.744339      11.28827 
1 1 1 -23 9   7  o 12.537  6.0499  -78.6205   55.327   -73.2348   84.453   -82.6700   73.231   16.874  7.9531  15.051  7.1834  1.823640       10.71693 
1 1 1 -23 9   8  o 72.419  5.0576  663.903    88.313   649.929    124.449  678.078    125.344  70.002  7.4409  71.613  7.3163  -1.610710      10.43524 
1 1 1 -23 9   9  o 118.535 6.6514  1824.84    190.531  1785.55    330.161  1844.46    233.298  108.215 12.823  117.113 8.2630  -8.898315      15.25511 
1 1 1 -23 9   10 o 117.214 12.491  2076.82    349.778  2076.82    349.778  0.0000     0.0000   117.214 12.491  ?       ?       0.000000       12.49082 
1 1 1 -23 9   11 o 87.540  14.203  1228.68    291.346  1228.68    291.346  0.0000     0.0000   87.540  14.203  ?       ?       0.000000       14.20299 
1 1 1 -23 9   12 o 54.476  16.918  558.513    247.120  558.513    247.120  0.0000     0.0000   54.476  16.918  ?       ?       0.000000       16.91836 
1 1 1 -23 9   13 o 44.293  9.0397  276.384    93.863   208.838    143.803  326.523    123.895  36.542  12.952  46.666  11.103  -10.12367      17.05925 
1 1 1 -23 9   14 o 25.025  7.8299  84.701     52.820   72.131     87.202   91.986     66.384   25.256  9.8531  26.133  8.8219  -0.8767471     13.22538 
1 1 1 -23 9   15 o 31.943  7.3618  139.820    55.889   103.345    90.865   162.017    70.882   27.869  10.239  33.837  8.6117  -5.967628      13.37926 
1 1 1 -23 9   16 o 14.657  6.5985  -16.8939   49.332   26.922     87.854   -37.0719   59.619   22.056  9.3817  15.045  6.9532  7.011253       11.67747 
1 1 1 -23 9   17 o 32.659  7.4223  146.968    57.483   164.248    92.512   136.101    73.364   33.184  10.359  30.747  9.1531  2.436781       13.82351 
1 1 1 -23 9   18 o 40.402  6.4490  217.398    61.095   202.160    97.971   227.095    78.153   36.502  10.499  40.220  8.2842  -3.717724      13.37374 
1 1 1 -23 9   19 o 20.691  7.9196  46.969     55.556   37.986     90.374   52.426     70.436   22.785  9.5943  22.322  8.8111  0.4621201      13.02632 
1 1 1 -23 9   20 o 47.928  6.2091  303.771    70.510   367.835    112.066  261.790    90.717   50.226  9.5445  42.543  9.0654  7.683105       13.16356 
1 1 1 -23 9   21 o 52.860  5.7525  365.293    72.591   403.846    113.880  338.907    94.211   52.869  9.2121  49.184  8.1818  3.685547       12.32091 
1 1 1 -23 9   22 o 27.998  8.6157  112.782    64.255   177.893    110.532  79.547     78.969   33.463  11.383  24.933  9.4663  8.529625       14.80496 
1 1 1 -23 9   23 o 41.552  9.2696  254.791    91.082   0.0000     0.0000   254.791    91.082   ?       ?       41.552  9.2696  0.000000       9.269555 
1 1 1 -23 9   24 o 34.548  12.413  201.007    132.523  0.0000     0.0000   201.007    132.523  ?       ?       34.548  12.413  0.000000       12.41299 
1 1 1 -23 9   25 o 19.456  9.1448  -63.2681   110.298  0.0000     0.0000   -63.2681   110.298  ?       ?       19.456  9.1448  0.000000       9.144776 
1 1 1 -23 9   26 o 21.552  9.1323  33.833     82.708   121.825    108.475  -88.3572   127.827  28.776  11.054  20.104  9.5661  8.672518       14.61856 
1 1 1 -23 9   27 o 45.355  6.5360  278.587    69.852   293.208    99.723   264.503    97.873   44.044  9.6021  41.524  9.8609  2.520527       13.76364 
1 1 1 -23 9   28 o 76.959  6.1607  788.930    114.076  388.370    174.343  1088.82    150.852  44.564  14.260  89.316  7.0173  -44.75202      15.89333 
1 1 1 -23 9   29 o 10.381  5.1809  -127.7744  53.160   -124.1182  71.980   -132.1614  78.846   13.148  6.4650  13.787  6.7767  -0.6390324     9.365891 
1 1 1 -23 9   30 o 35.882  8.4170  191.012    72.016   150.708    100.678  233.243    103.057  30.373  10.829  37.550  10.759  -7.177811      15.26495 
1 1 1 -23 9   31 o 72.289  7.8797  748.382    135.974  938.638    276.423  687.651    156.175  63.080  17.464  66.386  10.006  -3.305981      20.12771 
1 1 1 -23 9   32 o 26.833  10.331  111.673    94.892   203.082    214.015  89.305     105.867  31.665  14.033  25.514  10.536  6.150532       17.54740 
1 1 1 -23 9   33 o 17.293  7.5891  7.8181     61.166   -68.2410   82.520   100.564    91.123   15.961  7.6198  25.704  10.060  -9.743737      12.61999 
1 1 1 -23 9   34 o 16.422  7.3628  -3.5531    60.726   21.146     82.486   -32.7805   89.729   19.877  8.7649  17.907  8.3621  1.970188       12.11398 
1 1 1 -23 9   35 o 32.722  8.6369  170.060    69.579   209.697    94.882   123.947    102.340  34.368  10.450  26.884  10.618  7.484379       14.89752 
1 1 1 -23 9   36 o 16.365  7.3603  -2.1562    61.205   20.006     89.378   -21.7250   83.987   19.957  8.9413  17.588  8.1719  2.368822       12.11308 
1 1 1 -23 9   37 o 32.094  8.7443  169.192    69.948   57.633     94.706   303.081    103.753  22.039  9.5608  41.256  10.375  -19.21724      14.10840 
1 1 1 -23 9   38 o 28.730  8.7310  138.534    66.249   115.099    93.394   162.270    93.989   25.417  10.110  29.078  10.453  -3.661234      14.54219 
1 1 1 -23 9   39 o 40.421  7.5959  251.465    71.763   297.447    100.706  204.024    102.290  40.377  10.259  31.652  10.944  8.724890       15.00064 
1 1 1 -23 9   40 o 32.245  8.9819  179.343    72.881   154.760    102.574  204.407    103.572  27.566  10.705  31.329  11.003  -3.762875      15.35109 
1 1 1 -23 9   41 o 30.176  14.109  366.012    256.702  0.0000     0.0000   366.012    256.702  ?       ?       30.176  14.109  0.000000       14.10886 
1 1 1 -23 9   42 o 19.613  8.7184  33.150     83.232   38.820     88.958   -6.6838    235.787  20.201  8.9946  23.219  11.471  -3.018717      14.57660 
1 1 1 -23 9   43 o 19.705  8.0483  50.990     60.934   -83.8982   84.436   197.583    88.023   14.986  7.2893  32.271  10.110  -17.28514      12.46346 
1 1 1 -23 9   44 o 13.464  6.3897  -40.7014   56.302   -101.4060  74.982   37.763     85.248   13.517  6.6368  20.003  8.8608  -6.485546      11.07069 
1 1 1 -23 9   45 o 21.741  10.947  -165.6402  264.740  -165.6402  264.740  0.0000     0.0000   21.741  10.947  ?       ?       0.000000       10.94745 
1 1 1 -23 9   46 o 22.235  9.7441  75.594     100.526  219.653    287.900  55.592     107.278  26.187  12.887  21.433  9.6822  4.754574       16.11876 
1 1 1 -23 9   47 o 16.532  7.8193  -25.1054   82.974   -201.6421  303.651  -10.8603   86.256   21.364  10.858  17.330  8.1268  4.033670       13.56216 
1 1 1 -23 10  1  o 50.100  5.1824  321.045    62.089   221.294    87.074   424.223    88.557   39.324  9.2759  56.846  6.5395  -17.52189      11.34935 
1 1 1 -23 10  2  o 43.024  5.8622  240.758    59.605   251.152    85.649   230.997    83.001   42.425  8.6144  40.601  8.6879  1.824085       12.23468 
1 1 1 -23 10  3  o 24.368  8.1003  78.411     55.982   86.086     82.045   71.725     76.577   26.191  9.7104  24.666  9.3322  1.525478       13.46775 
1 1 1 -23 10  4  o 61.996  5.0740  488.325    75.658   605.848    106.227  367.335    107.783  68.148  6.5030  51.324  8.9822  16.82494       11.08919 
1 1 1 -23 10  5  o 122.692 4.6026  1887.87    137.022  1717.28    189.771  2073.67    198.051  114.604 6.8558  126.452 6.4766  -11.84743      9.431273 
1 1 1 -23 10  6  o 151.627 4.7936  2890.96    176.360  2778.00    246.014  3010.37    252.952  145.831 6.9526  151.950 6.8608  -6.118790      9.767739 
1 1 1 -23 10  7  o 153.331 4.8106  2957.12    178.975  2852.10    249.702  3068.07    256.659  147.740 6.9656  153.337 6.8983  -5.596985      9.803414 
1 1 1 -23 10  8  o 120.449 6.5509  1884.85    190.734  1899.59    316.984  1876.48    238.803  113.132 11.717  117.694 8.4178  -4.561714      14.42764 
1 1 1 -23 10  9  o 64.705  14.692  696.602    225.406  696.602    225.406  0.0000     0.0000   64.705  14.692  ?       ?       0.000000       14.69238 
1 1 1 -23 10  10 o 27.119  12.586  -45.7272   198.353  -45.7272   198.353  0.0000     0.0000   27.119  12.586  ?       ?       0.000000       12.58601 
1 1 1 -23 10  11 o 47.471  16.566  429.028    234.606  429.028    234.606  0.0000     0.0000   47.471  16.566  ?       ?       0.000000       16.56562 
1 1 1 -23 10  12 o 55.341  5.9883  397.606    79.129   368.364    112.970  425.770    110.869  50.869  9.5020  55.564  8.4932  -4.694149      12.74449 
1 1 1 -23 10  13 o 49.547  5.8452  318.782    68.919   344.723    104.771  298.995    91.503   49.436  9.0687  46.401  8.4382  3.035389       12.38725 
1 1 1 -23 10  14 o 50.981  5.4748  335.056    66.663   312.964    105.082  349.934    86.237   46.577  9.6167  51.102  7.1509  -4.524551      11.98398 
1 1 1 -23 10  15 o 26.638  8.0224  98.352     56.117   189.914    91.295   42.751     71.143   35.737  10.087  21.695  8.7567  14.04187       13.35800 
1 1 1 -23 10  16 o 58.718  5.1073  441.286    72.040   562.650    110.410  351.314    95.064   64.829  7.1372  50.476  8.0310  14.35374       10.74417 
1 1 1 -23 10  17 o 27.086  8.0021  102.661    56.238   207.534    91.965   40.019     71.076   37.266  9.9737  21.387  8.7089  15.87885       13.24086 
1 1 1 -23 10  18 o 44.793  6.1897  265.404    65.477   324.757    103.434  225.715    84.581   47.341  9.3364  39.486  9.0251  7.855072       12.98538 
1 1 1 -23 10  19 o 59.958  5.1204  462.016    73.779   523.534    113.733  417.319    96.945   61.731  7.7648  55.339  7.4057  6.392902       10.73018 
1 1 1 -23 10  20 o 46.440  6.1915  286.128    68.029   449.344    106.157  172.394    88.617   56.952  7.8943  33.662  10.069  23.29018       12.79439 
1 1 1 -23 10  21 o 42.704  6.8522  247.535    68.599   389.819    105.969  144.898    90.002   52.275  8.6574  30.897  10.271  21.37811       13.43285 
1 1 1 -23 10  22 o 52.118  7.8381  378.527    96.051   0.0000     0.0000   378.527    96.051   ?       ?       52.118  7.8381  0.000000       7.838129 
1 1 1 -23 10  23 o 74.055  12.459  898.491    215.920  0.0000     0.0000   898.491    215.920  ?       ?       74.055  12.459  0.000000       12.45877 
1 1 1 -23 10  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 10  25 o 27.806  10.149  113.319    89.051   75.453     119.487  160.629    133.558  26.179  11.028  31.544  12.225  -5.365147      16.46429 
1 1 1 -23 10  26 o 23.430  8.3034  74.509     59.105   143.305    81.920   -0.1895    85.362   30.537  9.7754  19.714  8.7921  10.82270       13.14760 
1 1 1 -23 10  27 o 45.009  6.3182  273.530    67.101   193.940    94.735   353.662    95.056   34.798  10.411  49.707  8.1650  -14.90902      13.23069 
1 1 1 -23 10  28 o 29.643  8.3339  130.058    62.443   57.927     86.262   209.462    90.506   23.152  9.5297  36.437  9.9547  -13.28472      13.78080 
1 1 1 -23 10  29 o 48.278  6.3736  316.963    72.835   218.077    101.955  420.029    104.087  36.208  10.793  53.875  8.2230  -17.66724      13.56849 
1 1 1 -23 10  30 o 95.112  7.1888  1260.95    164.679  1143.40    293.964  1314.72    198.803  71.350  17.185  94.186  8.8011  -22.83562      19.30716 
1 1 1 -23 10  31 o 16.624  7.8210  -48.9594   80.987   -269.1660  171.170  14.553     91.927   18.786  9.3631  20.543  9.1456  -1.757389      13.08850 
1 1 1 -23 10  32 o 21.692  8.4390  61.081     63.830   -8.9199    86.311   145.580    94.829   18.783  8.5635  29.268  10.502  -10.48493      13.55077 
1 1 1 -23 10  33 o 29.011  8.6934  133.091    66.019   92.713     89.926   180.297    97.231   24.862  9.9105  31.844  10.677  -6.982473      14.56771 
1 1 1 -23 10  34 o 17.817  7.6889  19.255     60.609   58.135     82.592   -26.1156   89.220   21.989  9.2109  17.999  8.3827  3.989658       12.45429 
1 1 1 -23 10  35 o 37.974  8.3229  224.993    74.571   213.053    104.270  237.495    106.691  33.438  11.052  35.340  11.139  -1.901989      15.69188 
1 1 1 -23 10  36 o 51.438  6.8260  383.346    83.091   369.445    116.011  397.988    119.065  45.290  10.723  47.240  10.643  -1.950214      15.10780 
1 1 1 -23 10  37 o 34.563  8.6313  195.824    72.168   179.274    98.327   215.150    106.254  30.232  10.710  32.580  11.160  -2.348505      15.46805 
1 1 1 -23 10  38 o 28.629  8.9404  141.577    68.902   33.157     94.069   267.068    101.205  20.322  9.1340  37.411  10.642  -17.08913      14.02446 
1 1 1 -23 10  39 o 11.862  5.8258  -88.1253   57.907   -153.9465  79.177   -12.4325   84.907   12.661  6.3194  17.569  8.1809  -4.908677      10.33741 
1 1 1 -23 10  40 o 23.749  11.664  35.041     232.210  0.0000     0.0000   35.041     232.210  ?       ?       23.749  11.664  0.000000       11.66419 
1 1 1 -23 10  41 o 15.407  7.3693  -50.8738   77.945   -19.0989   82.978   -289.2181  227.260  17.080  7.9973  19.473  9.8438  -2.392103      12.68296 
1 1 1 -23 10  42 f 15.137  7.0149  -17.8040   61.284   6.6251     83.020   -47.0541   90.844   18.234  8.3459  16.682  7.9728  1.552071       11.54208 
1 1 1 -23 10  43 o 17.969  7.7751  27.524     62.307   99.850     83.975   -61.0583   92.934   23.923  9.5636  16.414  7.9012  7.509254       12.40526 
1 1 1 -23 10  44 o ?       ?       -414.5137  240.211  -414.5137  240.211  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 10  45 o 19.071  8.6882  20.471     88.632   -0.0003    301.620  22.406     92.726   23.651  11.880  19.377  8.8506  4.273634       14.81453 
1 1 1 -23 10  46 f 36.166  11.724  299.890    117.550  873.075    309.521  203.284    127.071  37.176  16.649  28.353  11.606  8.822102       20.29487 
1 1 1 -23 10  47 o 17.728  8.3481  -4.9566    92.675   -320.4822  311.097  25.771     97.083   ?       ?       19.158  8.8607  0.000000       8.860696 
1 1 1 -23 11  1  o 82.682  4.4154  859.493    88.262   831.851    123.501  888.351    126.186  79.797  6.4332  82.551  6.3485  -2.753929      9.038162 
1 1 1 -23 11  2  o 12.592  5.8865  -37.6958   44.652   -43.1583   64.529   -32.6777   61.849   15.468  7.1786  15.628  7.1716  -0.1606836     10.14713 
1 1 1 -23 11  3  o 40.242  6.7714  215.976    63.771   230.200    83.746   196.346    98.383   40.412  8.7909  36.292  10.545  4.119888       13.72869 
1 1 1 -23 11  4  o 26.269  8.4585  94.120     61.267   81.286     84.260   108.517    89.243   25.830  9.7851  28.323  10.185  -2.492853      14.12404 
1 1 1 -23 11  5  o 55.294  5.7015  394.348    75.397   369.526    104.236  421.585    109.192  51.643  8.6225  55.398  8.3856  -3.755337      12.02769 
1 1 1 -23 11  6  o 93.316  6.5844  1136.75    148.129  1132.06    247.533  1139.37    184.888  86.354  12.150  91.415  8.4304  -5.061066      14.78805 
1 1 1 -23 11  7  o 50.518  8.4142  351.917    99.512   476.862    194.487  307.606    115.821  52.742  14.666  45.525  10.671  7.217030       18.13701 
1 1 1 -23 11  8  o 27.033  9.7928  96.156     82.693   22.406     167.376  119.970    95.111   27.481  12.279  29.435  10.522  -1.954868      16.17098 
1 1 1 -23 11  9  o 48.974  15.120  425.696    197.697  425.696    197.697  0.0000     0.0000   48.974  15.120  ?       ?       0.000000       15.11956 
1 1 1 -23 11  10 o 19.125  8.9686  -71.4759   105.054  -71.4759   105.054  0.0000     0.0000   19.125  8.9686  ?       ?       0.000000       8.968552 
1 1 1 -23 11  11 o 87.581  5.2200  977.571    110.426  1016.97    147.568  927.431    166.465  87.696  6.9932  82.185  8.4690  5.510422       10.98309 
1 1 1 -23 11  12 o 94.626  4.8293  1133.73    110.512  1168.77    160.176  1101.90    152.668  93.871  7.0846  91.286  6.9446  2.585228       9.920672 
1 1 1 -23 11  13 o 99.428  4.5740  1244.77    110.348  1210.01    161.417  1275.27    151.196  95.518  7.0137  98.837  6.3380  -3.319283      9.453140 
1 1 1 -23 11  14 o 84.900  4.7378  913.289    97.211   1032.72    144.512  814.578    131.379  88.369  6.7916  78.245  6.9937  10.12402       9.748745 
1 1 1 -23 11  15 f 61.336  5.1214  481.931    75.522   620.031    116.649  382.270    99.094   67.970  7.1817  52.636  8.0118  15.33413       10.75946 
1 1 1 -23 11  16 o 41.283  6.1845  225.856    60.043   204.444    98.633   238.462    75.682   36.540  10.542  41.461  7.8095  -4.920517      13.11912 
1 1 1 -23 11  17 o 33.410  7.2386  154.110    56.984   105.446    89.139   187.742    74.104   27.592  10.141  36.161  8.5757  -8.569105      13.28085 
1 1 1 -23 11  18 o 39.712  6.6882  212.999    62.156   277.364    99.199   171.394    79.754   43.214  9.6987  33.989  9.3690  9.225498       13.48489 
1 1 1 -23 11  19 o 17.430  7.4993  8.5123     57.307   -43.6415   86.994   48.496     76.170   18.014  8.3513  22.261  9.0342  -4.247662      12.30287 
1 1 1 -23 11  20 o 46.350  6.0120  284.495    66.021   264.463    104.331  297.874    85.263   41.374  10.403  46.121  7.9034  -4.747272      13.06494 
1 1 1 -23 11  21 o 33.494  9.2938  168.038    78.190   0.0000     0.0000   168.038    78.190   ?       ?       33.494  9.2938  0.000000       9.293850 
1 1 1 -23 11  22 o 20.529  9.5284  -41.5495   113.726  0.0000     0.0000   -41.5495   113.726  ?       ?       20.529  9.5284  0.000000       9.528375 
1 1 1 -23 11  23 o 31.265  12.404  154.730    140.249  0.0000     0.0000   154.730    140.249  ?       ?       31.265  12.404  0.000000       12.40387 
1 1 1 -23 11  24 o 47.188  9.0923  328.284    100.329  355.402    128.136  285.315    161.292  46.732  11.401  38.872  13.723  7.860188       17.84137 
1 1 1 -23 11  25 o 9.6088  4.6923  -61.6836   35.972   -29.3778   42.637   -141.4713  67.006   12.556  5.8300  12.050  5.9814  0.5056553      8.352585 
1 1 1 -23 11  26 o 33.400  7.9462  161.541    63.463   147.480    87.431   177.200    92.264   30.645  10.120  33.287  10.338  -2.641827      14.46657 
1 1 1 -23 11  27 o 17.736  7.5453  16.443     56.842   -50.9453   78.470   90.842     82.451   16.473  7.7331  25.463  9.6715  -8.990639      12.38302 
1 1 1 -23 11  28 o 17.743  7.4805  19.707     55.046   -13.6196   78.800   51.468     76.927   18.159  8.2417  22.009  9.0223  -3.849693      12.21993 
1 1 1 -23 11  29 o 17.069  7.9431  -37.4062   79.845   -103.6447  167.219  -17.8442   90.874   21.792  10.517  19.019  8.7149  2.773100       13.65827 
1 1 1 -23 11  30 o 16.064  7.5318  -43.8260   74.036   -249.1012  170.851  3.6319     82.149   19.064  9.4778  19.172  8.5822  -0.1081619     12.78599 
1 1 1 -23 11  31 o 32.692  10.622  185.716    96.472   92.927     196.206  215.300    110.788  27.463  12.665  34.332  11.395  -6.869144      17.03638 
1 1 1 -23 11  32 o 28.854  8.7052  131.816    66.033   106.066    88.601   163.991    99.038   25.841  9.9732  30.333  10.749  -4.491579      14.66271 
1 1 1 -23 11  33 o 22.890  8.5171  77.357     63.231   47.781     84.425   115.144    95.427   21.403  9.1525  26.268  10.291  -4.865725      13.77210 
1 1 1 -23 11  34 o 17.882  7.7105  21.533     60.848   -14.3972   83.759   61.684     88.543   17.888  8.2583  22.256  9.4408  -4.367800      12.54302 
1 1 1 -23 11  35 o 32.948  8.6934  177.333    70.509   167.846    94.891   189.029    105.357  29.842  10.527  30.930  11.073  -1.088400      15.27797 
1 1 1 -23 11  36 o 43.938  7.2145  288.283    74.243   296.442    101.302  278.815    109.126  40.553  10.281  37.753  11.145  2.799915       15.16284 
1 1 1 -23 11  37 o 23.096  8.6444  86.761     65.324   54.707     87.652   126.807    97.970   21.171  9.1911  25.883  10.336  -4.711720      13.83138 
1 1 1 -23 11  38 o 25.478  8.9035  112.926    67.782   90.370     91.336   140.577    101.128  23.286  9.7144  26.537  10.531  -3.251474      14.32753 
1 1 1 -23 11  39 o 27.432  13.245  255.441    266.112  0.0000     0.0000   255.441    266.112  ?       ?       27.432  13.245  0.000000       13.24526 
1 1 1 -23 11  40 o 15.476  7.4352  -57.1144   81.324   -69.5347   86.832   31.567     232.022  15.570  7.5298  23.546  11.583  -7.975751      13.81570 
1 1 1 -23 11  41 o 21.661  8.4051  73.745     63.193   92.820     88.527   53.926     90.235   23.305  9.6298  20.973  9.2105  2.332449       13.32538 
1 1 1 -23 11  42 o 36.148  8.2194  212.496    70.462   251.732    97.979   170.468    101.406  35.989  10.542  28.596  10.757  7.392437       15.06187 
1 1 1 -23 11  43 o 20.667  9.0112  51.968     85.013   236.425    246.622  27.095     90.563   27.251  13.054  19.608  8.8735  7.642384       15.78414 
1 1 1 -23 11  44 o 13.834  6.7810  -95.0538   77.262   -216.8798  251.009  -82.3036   81.204   20.640  10.426  14.598  7.1112  6.042744       12.61992 
1 1 1 -23 11  45 o 15.278  7.4222  -72.7534   86.826   -234.8386  255.367  -51.5664   92.327   20.252  10.258  16.370  7.8787  3.882736       12.93445 
1 1 1 -23 11  46 o 17.552  8.1901  0.0401     85.812   98.211     237.635  -14.6809   92.021   23.231  11.484  17.367  8.2204  5.864244       14.12269 
1 1 1 -23 12  1  o 61.817  4.8313  485.552    71.890   431.816    101.401  539.856    101.937  56.465  7.5937  63.941  6.6684  -7.476917      10.10605 
1 1 1 -23 12  2  o 34.725  7.6115  166.250    62.363   120.371    84.712   220.534    92.146   29.157  9.9650  38.775  9.7918  -9.618338      13.97075 
1 1 1 -23 12  3  o 34.511  7.7352  164.695    63.170   126.486    85.668   210.228    93.518   29.761  10.022  37.712  10.041  -7.950556      14.18688 
1 1 1 -23 12  4  o 42.987  7.2421  249.458    72.854   258.560    107.753  241.794    98.879   41.490  10.650  40.478  10.100  1.012501       14.67746 
1 1 1 -23 12  5  f 22.836  9.4284  42.408     84.767   -35.5406   153.592  76.550     101.650  24.434  11.245  26.286  10.517  -1.852297      15.39687 
1 1 1 -23 12  6  o 16.239  7.6392  -63.5126   77.238   -88.4518   159.130  -55.8264   88.342   23.186  10.925  17.901  8.3385  5.285107       13.74318 
1 1 1 -23 12  7  o 49.685  8.4331  342.482    98.031   352.241    186.577  338.761    115.216  44.508  14.788  48.059  10.196  -3.551365      17.96214 
1 1 1 -23 12  8  o 32.325  13.410  136.502    172.674  136.502    172.674  0.0000     0.0000   32.325  13.410  ?       ?       0.000000       13.41036 
1 1 1 -23 12  9  o 33.494  10.669  168.031    97.678   168.031    97.678   0.0000     0.0000   33.494  10.669  ?       ?       0.000000       10.66930 
1 1 1 -23 12  10 o 56.390  8.4812  441.445    112.451  441.445    112.451  0.0000     0.0000   56.390  8.4812  ?       ?       0.000000       8.481209 
1 1 1 -23 12  11 o 43.058  7.1329  250.495    71.914   182.944    105.548  309.022    98.247   34.561  11.099  46.604  9.0142  -12.04289      14.29874 
1 1 1 -23 12  12 o 29.905  8.2663  126.539    61.984   113.094    101.989  134.415    78.053   28.734  10.792  30.417  9.5184  -1.683350      14.38987 
1 1 1 -23 12  13 o 35.755  7.5444  176.818    63.394   137.116    103.818  200.422    80.052   30.575  10.987  37.257  8.9641  -6.682014      14.17958 
1 1 1 -23 12  14 o 33.342  8.7591  160.519    71.781   174.077    118.121  152.581    90.384   33.382  11.748  31.895  10.274  1.487328       15.60697 
1 1 1 -23 12  15 o 31.210  7.9416  137.730    60.289   -51.6363   101.066  242.342    75.118   19.229  8.9444  41.834  7.6834  -22.60500      11.79135 
1 1 1 -23 12  16 o 19.558  7.8020  35.774     55.771   10.083     92.250   50.573     70.014   21.184  9.3076  22.034  8.7569  -0.8505516     12.77945 
1 1 1 -23 12  17 o 62.902  4.9753  507.638    75.317   508.549    114.970  506.953    99.685   60.454  8.0370  61.458  6.7987  -1.003674      10.52694 
1 1 1 -23 12  18 o 60.107  5.1503  466.142    74.389   495.954    114.360  444.276    97.942   59.521  8.1311  57.081  7.2338  2.439842       10.88316 
1 1 1 -23 12  19 o 43.319  6.4106  252.050    65.347   303.239    103.504  218.123    84.264   44.930  9.7724  38.367  9.1753  6.562424       13.40470 
1 1 1 -23 12  20 o 90.171  6.4319  1082.34    139.802  0.0000     0.0000   1082.34    139.802  ?       ?       90.171  6.4319  0.000000       6.431924 
1 1 1 -23 12  21 o 51.282  13.672  472.494    173.230  0.0000     0.0000   472.494    173.230  ?       ?       51.282  13.672  0.000000       13.67220 
1 1 1 -23 12  22 o 25.571  11.120  55.631     128.722  0.0000     0.0000   55.631     128.722  ?       ?       25.571  11.120  0.000000       11.11986 
1 1 1 -23 12  23 o 80.665  6.7366  879.111    130.647  841.457    166.820  938.841    210.104  75.619  9.2870  76.209  11.739  -0.5903244     14.96845 
1 1 1 -23 12  24 o 54.395  5.1164  384.681    66.735   401.373    90.637   364.917    98.624   53.995  7.0894  50.340  8.3681  3.655281       10.96747 
1 1 1 -23 12  25 o 45.400  6.4850  280.264    69.408   327.977    96.333   228.755    100.092  47.256  8.7227  37.632  10.541  9.623936       13.68221 
1 1 1 -23 12  26 o 11.852  5.7644  -79.0440   52.754   -80.8156   72.817   -77.0868   76.534   14.617  7.0258  15.211  7.2827  -0.5945511     10.11929 
1 1 1 -23 12  27 o 31.182  8.2034  144.483    62.903   169.269    87.920   118.492    90.034   32.363  10.098  27.691  10.190  4.672396       14.34557 
1 1 1 -23 12  28 o 32.778  10.353  178.138    92.123   257.946    175.398  147.736    108.257  34.975  13.873  29.691  11.125  5.284250       17.78267 
1 1 1 -23 12  29 o 16.866  7.7900  -27.3324   74.659   -345.3681  169.556  49.158     83.153   17.574  8.8376  21.932  9.2174  -4.357885      12.76966 
1 1 1 -23 12  30 o 20.030  8.8617  18.199     85.003   -156.8933  178.655  69.435     96.643   20.872  10.247  23.688  9.9453  -2.816584      14.27981 
1 1 1 -23 12  31 o 27.160  8.7091  116.554    65.002   156.263    91.983   76.940     91.872   29.937  10.377  23.774  9.8157  6.162800       14.28382 
1 1 1 -23 12  32 o 12.223  5.9432  -76.2839   55.979   -164.1130  76.592   24.428     82.018   12.416  6.2002  19.845  8.7460  -7.428877      10.72074 
1 1 1 -23 12  33 o 23.235  8.5499  82.754     63.390   65.956     88.275   100.638    91.086   22.496  9.4781  24.908  9.9592  -2.411671      13.74840 
1 1 1 -23 12  34 o 13.898  6.5893  -44.2122   59.602   50.006     79.637   -164.1937  89.867   20.908  8.9138  13.710  6.8253  7.198439       11.22674 
1 1 1 -23 12  35 o ?       ?       -316.4920  47.599   -198.8288  62.113   -483.9106  74.091   9.8490  4.9959  ?       ?       0.000000       4.995907 
1 1 1 -23 12  36 o 13.353  6.3840  -49.9822   58.367   -67.8655   78.116   -27.3797   87.820   14.919  7.1969  17.254  8.1253  -2.334513      10.85430 
1 1 1 -23 12  37 o 21.186  8.4546  67.349     65.511   49.174     93.567   84.826     91.754   20.914  9.2729  22.897  9.6558  -1.983068      13.38737 
1 1 1 -23 12  38 o 26.799  13.071  232.337    276.834  0.0000     0.0000   232.337    276.834  ?       ?       26.799  13.071  0.000000       13.07141 
1 1 1 -23 12  39 o 20.624  9.1929  46.628     93.188   -23.8955   99.229   573.455    271.210  17.988  8.5206  34.092  15.398  -16.10427      17.59864 
1 1 1 -23 12  40 o 15.227  7.0286  -13.6719   60.638   39.951     80.558   -83.7709   92.107   19.725  8.6816  15.579  7.5858  4.146355       11.52889 
1 1 1 -23 12  41 f 12.712  6.1600  -65.7415   58.803   -161.9364  78.661   56.107     88.531   12.389  6.2011  21.016  9.1787  -8.626616      11.07714 
1 1 1 -23 12  42 o 17.256  7.6238  17.664     62.699   71.732     90.554   -32.1260   86.897   21.947  9.4345  16.827  7.9716  5.120663       12.35137 
1 1 1 -23 12  43 o 13.056  6.4358  -105.7555  72.815   -566.0635  207.392  -41.0348   77.766   ?       ?       15.648  7.4502  0.000000       7.450226 
1 1 1 -23 12  44 o 20.506  9.1922  49.431     94.597   -126.5155  227.808  86.091     103.986  20.711  10.393  22.551  9.8957  -1.839048      14.35054 
1 1 1 -23 12  45 o 19.344  8.8332  33.084     92.291   -158.2519  213.920  76.842     102.301  19.580  9.8568  21.676  9.6491  -2.096195      13.79357 
1 1 1 -23 13  1  o 46.350  6.5166  285.343    71.263   277.106    98.296   294.469    103.467  43.616  9.5526  44.814  9.7893  -1.198124      13.67781 
1 1 1 -23 13  2  o 26.571  8.2435  98.192     58.687   111.755    80.873   83.105     85.295   28.195  9.7325  25.807  9.8286  2.387186       13.83195 
1 1 1 -23 13  3  o 75.784  8.7225  799.987    157.466  0.0000     0.0000   799.987    157.466  ?       ?       75.784  8.7225  0.000000       8.722474 
1 1 1 -23 13  4  o 43.646  9.5273  276.472    98.066   282.016    173.504  273.869    118.876  40.161  14.227  41.957  11.386  -1.795666      18.22242 
1 1 1 -23 13  5  o 24.858  9.8261  69.002     87.717   252.288    158.976  -11.2221   105.176  38.620  13.625  21.488  9.6581  17.13129       16.70103 
1 1 1 -23 13  6  o 46.496  9.6398  313.887    105.185  418.813    190.966  268.189    126.026  48.213  14.856  41.047  11.937  7.166180       19.05770 
1 1 1 -23 13  7  o 52.718  15.028  499.557    201.588  499.557    201.588  0.0000     0.0000   52.718  15.028  ?       ?       0.000000       15.02781 
1 1 1 -23 13  8  o 24.151  9.6186  62.521     84.639   62.521     84.639   0.0000     0.0000   24.151  9.6186  ?       ?       0.000000       9.618633 
1 1 1 -23 13  9  o 31.680  10.212  148.896    89.277   148.896    89.277   0.0000     0.0000   31.680  10.212  ?       ?       0.000000       10.21167 
1 1 1 -23 13  10 o 61.220  5.6359  485.483    82.778   478.116    116.235  493.064    117.915  58.589  8.4181  59.527  8.3970  -0.9380646     11.89009 
1 1 1 -23 13  11 o 85.193  4.7935  922.250    98.686   968.388    145.508  882.951    134.293  85.052  7.1162  81.465  6.8577  3.586655       9.882729 
1 1 1 -23 13  12 o 64.827  5.3299  541.423    83.095   549.749    129.976  535.667    108.064  62.342  8.8400  63.020  7.1961  -0.6770935     11.39869 
1 1 1 -23 13  13 o 16.887  7.3667  1.1149     56.873   24.596     98.149   -10.7545   69.782   22.505  9.7480  17.741  7.9278  4.763844       12.56479 
1 1 1 -23 13  14 o 17.651  7.5742  9.6700     58.181   139.720    98.520   -59.9706   72.094   30.501  10.730  15.573  7.3421  14.92834       13.00136 
1 1 1 -23 13  15 o 54.976  5.9168  397.156    77.684   435.419    121.163  370.447    101.229  54.556  9.4980  51.154  8.4507  3.402039       12.71327 
1 1 1 -23 13  16 o 72.936  5.1491  685.063    90.540   828.036    137.182  574.719    120.516  77.984  7.3360  64.364  7.8815  13.62048       10.76733 
1 1 1 -23 13  17 o 46.110  7.0217  290.188    76.079   390.619    128.803  236.376    94.283   49.997  10.923  39.420  9.8773  10.57664       14.72655 
1 1 1 -23 13  18 o 55.255  5.4099  397.790    71.600   338.483    109.758  441.727    94.470   47.373  9.8690  57.012  6.9745  -9.639229      12.08474 
1 1 1 -23 13  19 o 58.269  5.7806  446.820    80.649   617.158    136.966  356.415    99.782   65.386  8.8614  49.778  8.5705  15.60743       12.32790 
1 1 1 -23 13  20 o 27.490  11.524  92.970     129.438  0.0000     0.0000   92.970     129.438  ?       ?       27.490  11.524  0.000000       11.52384 
1 1 1 -23 13  21 f 15.031  7.4181  -170.7357  97.739   0.0000     0.0000   -170.7357  97.739   ?       ?       15.031  7.4181  0.000000       7.418108 
1 1 1 -23 13  22 o 71.051  7.3154  696.485    124.312  793.379    157.309  535.349    202.862  73.725  8.9792  51.668  15.179  22.05690       17.63634 
1 1 1 -23 13  23 o 21.490  8.1489  56.767     58.473   213.293    94.500   -40.3372   74.432   36.633  10.236  16.512  7.6789  20.12099       12.79610 
1 1 1 -23 13  24 o 42.742  6.3945  248.451    64.279   241.614    89.498   255.735    92.380   39.721  9.4273  40.838  9.5016  -1.116421      13.38491 
1 1 1 -23 13  25 o 22.273  8.0520  66.646     55.866   35.468     79.138   97.619     78.876   21.073  8.9314  25.884  9.5354  -4.811197      13.06496 
1 1 1 -23 13  26 o 28.343  8.5339  121.129    63.507   184.288    93.637   67.331     86.420   33.424  10.420  23.596  9.6051  9.827942       14.17150 
1 1 1 -23 13  27 o 20.316  8.7329  28.669     77.578   -107.2620  172.852  62.957     86.813   21.936  10.612  23.171  9.5515  -1.235237      14.27758 
1 1 1 -23 13  28 o 18.447  8.3677  -7.6626    81.087   -168.3407  158.471  49.326     94.377   19.643  9.6454  22.536  9.6580  -2.892904      13.64957 
1 1 1 -23 13  29 o 17.682  8.1525  -21.5131   81.240   -296.6898  161.057  72.396     94.086   17.517  8.7831  23.736  9.8773  -6.218792      13.21758 
1 1 1 -23 13  30 o 40.201  7.5055  237.520    70.520   239.025    99.490   236.000    99.971   36.931  10.568  36.596  10.629  0.3346367      14.98821 
1 1 1 -23 13  31 o 12.099  5.8495  -65.2665   52.310   -224.4902  75.396   82.508     72.635   11.103  5.6183  23.465  9.0373  -12.36204      10.64132 
1 1 1 -23 13  32 o 13.608  6.4445  -43.4920   56.704   -92.1946   77.699   12.004     82.941   14.344  6.9807  19.055  8.5693  -4.710614      11.05273 
1 1 1 -23 13  33 o 24.685  8.7990  99.636     66.464   136.156    93.650   62.574     94.343   27.219  10.315  22.246  9.5966  4.972988       14.08868 
1 1 1 -23 13  34 o 25.247  8.9165  107.755    68.099   28.201     91.386   207.093    102.119  20.066  9.0120  32.171  10.941  -12.10513      14.17497 
1 1 1 -23 13  35 o 44.029  7.1715  291.963    73.977   225.026    101.594  367.510    107.931  33.367  10.904  45.373  10.067  -12.00589      14.84027 
1 1 1 -23 13  36 o 31.011  8.8114  165.917    69.420   252.281    93.570   60.182     103.534  36.675  10.163  21.750  9.6926  14.92513       14.04426 
1 1 1 -23 13  37 o 27.343  10.514  154.418    98.194   149.400    104.012  195.547    297.768  26.730  10.657  26.004  12.855  0.7252903      16.69797 
1 1 1 -23 13  38 o 36.466  11.135  277.082    107.567  196.374    115.930  776.693    288.437  29.187  11.368  38.279  16.646  -9.092323      20.15723 
1 1 1 -23 13  39 o 20.617  9.2189  46.687     94.517   46.687     94.517   0.0000     0.0000   20.617  9.2189  ?       ?       0.000000       9.218874 
1 1 1 -23 13  40 o 11.616  5.7177  -89.5173   56.803   -127.7272  84.308   -57.7529   76.869   13.707  6.7872  14.994  7.2098  -1.286763      9.901937 
1 1 1 -23 13  41 o 18.109  7.8159  30.909     62.644   16.011     83.629   49.956     94.558   18.601  8.4607  20.817  9.2709  -2.216145      12.55123 
1 1 1 -23 13  42 o 21.529  10.687  -59.1633   213.940  -59.1633   213.940  0.0000     0.0000   21.529  10.687  ?       ?       0.000000       10.68652 
1 1 1 -23 13  43 o 30.805  11.146  215.911    107.072  529.476    248.312  144.293    118.672  33.065  14.852  25.461  10.868  7.604511       18.40436 
1 1 1 -23 13  44 o 23.987  10.105  119.214    100.310  -90.4424   241.357  162.989    110.285  20.953  10.538  26.308  10.796  -5.354628      15.08612 
1 1 1 -23 14  1  o 45.296  7.1466  278.266    75.941   288.639    109.390  268.615    105.510  43.642  10.465  42.112  10.390  1.529297       14.74694 
1 1 1 -23 14  2  o 27.981  10.796  103.757    103.797  0.0000     0.0000   103.757    103.797  ?       ?       27.981  10.796  0.000000       10.79584 
1 1 1 -23 14  3  o 47.485  9.0556  322.938    100.528  286.735    176.489  340.325    122.308  39.980  14.329  47.169  10.905  -7.189404      18.00642 
1 1 1 -23 14  4  o 64.976  7.5327  573.008    116.556  618.941    200.987  549.733    143.071  60.278  14.008  61.357  9.9508  -1.078896      17.18292 
1 1 1 -23 14  5  o 65.411  7.7145  583.567    120.084  630.204    211.788  561.469    145.782  59.858  14.691  61.915  10.048  -2.057304      17.79894 
1 1 1 -23 14  6  o 37.246  7.4778  191.326    65.232   167.100    88.055   220.791    97.113   33.391  10.048  38.215  10.258  -4.824001      14.35924 
1 1 1 -23 14  7  o 23.059  9.2710  53.840     79.413   53.840     79.413   0.0000     0.0000   23.059  9.2710  ?       ?       0.000000       9.271027 
1 1 1 -23 14  8  o 29.093  10.205  122.194    89.087   122.194    89.087   0.0000     0.0000   29.093  10.205  ?       ?       0.000000       10.20497 
1 1 1 -23 14  9  o 67.561  5.0467  584.505    82.134   541.917    113.577  631.190    118.916  63.037  7.5775  68.351  7.2823  -5.314156      10.50953 
1 1 1 -23 14  10 o 86.652  4.7809  955.409    100.130  942.052    139.824  969.469    143.456  83.945  6.9266  85.067  7.0127  -1.121445      9.856728 
1 1 1 -23 14  11 o 66.903  5.0033  573.549    80.633   563.290    122.507  581.389    107.103  63.674  8.1136  65.927  6.7926  -2.252773      10.58159 
1 1 1 -23 14  12 o 59.361  5.4272  456.801    77.305   487.321    117.707  433.651    102.514  58.766  8.5019  56.053  7.7443  2.713493       11.50029 
1 1 1 -23 14  13 o 24.202  8.1940  80.041     57.272   -8.4897    106.388  116.166    67.960   21.405  9.6584  28.306  8.8856  -6.900473      13.12397 
1 1 1 -23 14  14 o 81.608  4.9763  854.056    98.067   1057.15    147.441  692.929    131.328  88.677  6.9069  70.814  7.7709  17.86343       10.39677 
1 1 1 -23 14  15 o 54.957  5.8958  398.017    77.391   454.780    120.493  358.157    100.971  55.846  9.2135  49.961  8.6419  5.884537       12.63214 
1 1 1 -23 14  16 o 14.389  6.6077  -26.7764   52.632   45.293     97.421   -56.4826   62.546   23.360  9.9056  14.345  6.7862  9.014832       12.00721 
1 1 1 -23 14  17 o 51.990  6.1413  359.973    75.976   325.390    119.547  383.406    98.405   45.162  11.009  52.121  8.0396  -6.959461      13.63230 
1 1 1 -23 14  18 o 26.291  10.017  95.357     88.621   124.267    100.105  -9.4018    190.560  28.783  10.715  26.165  12.208  2.617092       16.24325 
1 1 1 -23 14  19 o 23.151  10.561  -3.1977    131.547  0.0000     0.0000   -3.1977    131.547  ?       ?       23.151  10.561  0.000000       10.56149 
1 1 1 -23 14  20 o 43.670  13.288  349.795    153.374  0.0000     0.0000   349.795    153.374  ?       ?       43.670  13.288  0.000000       13.28769 
1 1 1 -23 14  21 f 54.253  13.856  542.250    183.042  0.0000     0.0000   542.250    183.042  ?       ?       54.253  13.856  0.000000       13.85561 
1 1 1 -23 14  22 o 16.509  7.1429  6.7328     52.577   -121.6130  101.845  53.368     61.391   16.622  8.0666  21.306  8.2797  -4.684801      11.55956 
1 1 1 -23 14  23 o 34.488  7.2639  168.505    58.866   114.197    83.937   221.066    82.577   27.453  9.8773  38.202  9.0480  -10.74892      13.39504 
1 1 1 -23 14  24 o 13.730  6.3835  -32.5566   51.382   -62.7881   75.247   -6.1456    70.332   15.555  7.3835  17.663  7.9214  -2.107664      10.82884 
1 1 1 -23 14  25 o 21.734  8.0770  62.221     56.832   25.297     80.061   99.725     80.687   20.364  8.8125  25.914  9.6253  -5.549311      13.05014 
1 1 1 -23 14  26 o 11.156  5.5774  -149.8720  62.820   -229.3831  173.431  -137.8646  67.397   19.581  9.7028  12.068  5.9919  7.512584       11.40380 
1 1 1 -23 14  27 o 15.964  7.4441  -36.2609   70.711   -375.5925  170.686  34.043     77.692   17.200  8.6768  20.510  8.7756  -3.310322      12.34091 
1 1 1 -23 14  28 o 22.532  9.2683  62.850     81.526   209.531    186.105  28.017     90.691   31.178  13.464  20.888  9.2018  10.28989       16.30806 
1 1 1 -23 14  29 o 20.686  8.1855  53.968     60.932   8.9701     89.851   92.281     82.908   19.689  8.8808  24.582  9.6027  -4.893398      13.07974 
1 1 1 -23 14  30 o 15.142  6.9250  -15.4510   57.004   -11.8146   78.553   -19.4959   82.848   17.617  8.0834  17.650  8.1711  -0.3318024E-01 11.49382 
1 1 1 -23 14  31 o 27.794  8.5754  125.648    63.608   131.348    93.107   120.659    87.102   27.095  10.281  26.365  9.9582  0.7303543      14.31296 
1 1 1 -23 14  32 o 20.206  8.1356  53.130     61.247   -10.7382   83.753   126.545    89.794   17.846  8.2457  26.502  10.087  -8.656031      13.02805 
1 1 1 -23 14  33 f 26.418  8.7272  117.941    65.019   157.493    90.184   75.132     93.824   28.749  10.249  22.678  9.6718  6.071474       14.09233 
1 1 1 -23 14  34 o 23.237  8.6221  89.129     64.711   128.754    87.445   41.162     96.211   26.168  9.9550  20.697  9.2745  5.470903       13.60583 
1 1 1 -23 14  35 o 16.530  7.3795  9.2712     60.303   13.737     81.177   3.7723     90.080   18.388  8.3529  18.502  8.5496  -0.1142750     11.95268 
1 1 1 -23 14  36 o 32.913  8.9634  189.776    73.516   188.707    101.586  190.951    106.523  29.660  10.837  29.444  11.035  0.2161732      15.46671 
1 1 1 -23 14  37 o 25.835  12.729  200.915    283.789  0.0000     0.0000   200.915    283.789  ?       ?       25.835  12.729  0.000000       12.72890 
1 1 1 -23 14  38 o 16.221  7.7399  -41.6256   84.898   -45.9360   88.760   4.6881     290.950  16.384  7.8438  23.464  11.770  -7.079678      14.14426 
1 1 1 -23 14  39 o 19.451  8.0115  50.476     61.016   33.614     84.425   68.914     88.284   19.471  8.7091  21.587  9.2978  -2.115883      12.73957 
1 1 1 -23 14  40 o 27.608  8.9983  136.998    69.206   93.955     92.829   190.858    103.839  23.196  9.7433  29.611  10.935  -6.414698      14.64596 
1 1 1 -23 14  41 o 19.943  9.9216  -114.6174  188.577  -114.6174  188.577  0.0000     0.0000   19.943  9.9216  ?       ?       0.000000       9.921631 
1 1 1 -23 14  42 o 20.273  9.1276  45.662     94.412   491.247    227.947  -46.6054   103.727  33.356  14.644  17.288  8.3282  16.06761       16.84653 
1 1 1 -23 14  43 o 29.321  10.989  202.738    105.623  106.557    247.037  224.254    116.841  23.427  11.603  29.801  11.466  -6.373369      16.31313 
1 1 1 -23 15  1  o 19.454  8.6824  -6.5701    83.414   -2.2798    169.003  -7.9519    95.910   25.932  11.883  20.591  9.2412  5.341333       15.05373 
1 1 1 -23 15  2  o 31.106  10.352  145.704    91.423   58.222     168.436  182.241    108.853  28.090  12.449  34.010  11.295  -5.919428      16.80905 
1 1 1 -23 15  3  o 65.746  7.6027  590.739    119.045  262.524    203.379  761.802    146.827  37.689  14.942  73.933  8.3298  -36.24426      17.10678 
1 1 1 -23 15  4  o 79.935  5.0383  817.805    97.221   761.216    135.657  877.560    139.402  74.715  7.5882  80.695  7.1951  -5.980118      10.45703 
1 1 1 -23 15  5  o 67.519  5.2322  586.711    85.048   577.522    113.397  598.526    128.582  65.292  7.2818  65.528  8.2712  -0.2363586     11.01988 
1 1 1 -23 15  6  o 29.612  10.193  129.270    88.670   129.270    88.670   0.0000     0.0000   29.612  10.193  ?       ?       0.000000       10.19264 
1 1 1 -23 15  7  o 20.197  8.8450  8.1935     82.703   8.1935     82.703   0.0000     0.0000   20.197  8.8450  ?       ?       0.000000       8.844970 
1 1 1 -23 15  8  o 16.906  7.8117  -38.6316   75.195   -38.6316   75.195   0.0000     0.0000   16.906  7.8117  ?       ?       0.000000       7.811735 
1 1 1 -23 15  9  o 32.002  8.2394  146.912    64.362   153.608    89.192   139.637    92.969   31.782  10.203  30.440  10.439  1.342012       14.59702 
1 1 1 -23 15  10 o 19.195  7.5351  36.899     51.249   83.293     82.782   8.0682     65.258   25.379  9.6786  18.324  7.9429  7.055307       12.52057 
1 1 1 -23 15  11 o 87.440  4.5418  971.285    96.030   1095.54    141.678  865.688    130.609  90.826  6.4711  80.385  6.7590  10.44091       9.357329 
1 1 1 -23 15  12 o 59.826  5.1578  462.420    74.140   588.737    113.663  368.876    97.813   65.698  7.2510  51.156  8.1539  14.54240       10.91164 
1 1 1 -23 15  13 o 56.362  5.6204  415.827    75.837   340.688    115.759  472.324    100.377  47.009  10.422  58.800  7.1850  -11.79079      12.65882 
1 1 1 -23 15  14 o 18.546  7.6890  24.680     56.712   59.537     101.360  8.7944     68.425   24.429  10.216  18.625  8.1033  5.804441       13.03965 
1 1 1 -23 15  15 f 46.490  6.6788  293.288    73.177   273.530    115.360  306.591    94.659   40.951  11.260  45.840  8.8308  -4.888638      14.30957 
1 1 1 -23 15  16 o 90.917  4.8273  1060.60    106.110  1095.42    158.333  1032.22    142.965  89.253  7.3773  87.406  6.7944  1.846817       10.02938 
1 1 1 -23 15  17 o 21.252  9.4270  10.636     96.806   86.572     113.766  -188.6222  184.288  26.457  10.923  21.597  10.562  4.860426       15.19447 
1 1 1 -23 15  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -23 15  19 o 81.167  15.224  1252.97    288.806  0.0000     0.0000   1252.97    288.806  ?       ?       81.167  15.224  0.000000       15.22359 
1 1 1 -23 15  20 o 28.984  12.479  115.189    158.895  0.0000     0.0000   115.189    158.895  ?       ?       28.984  12.479  0.000000       12.47894 
1 1 1 -23 15  21 o 37.002  7.6137  195.684    66.077   92.368     111.480  251.639    82.042   26.420  10.849  41.394  8.4541  -14.97415      13.75430 
1 1 1 -23 15  22 o 48.281  6.0677  313.972    69.513   257.970    99.295   367.797    97.346   40.181  10.174  50.333  8.2573  -10.15118      13.10333 
1 1 1 -23 15  23 o 18.555  7.5831  30.846     54.136   93.411     75.487   -35.4057   77.680   25.330  9.3287  16.954  7.8713  8.375975       12.20588 
1 1 1 -23 15  24 o 33.309  8.0331  164.493    64.171   95.571     89.850   236.254    91.682   25.658  10.004  38.456  9.7977  -12.79827      14.00257 
1 1 1 -23 15  25 o 28.966  9.8019  135.780    81.952   113.951    197.058  140.345    90.114   28.508  12.975  29.159  10.261  -0.6509075     16.54214 
1 1 1 -23 15  26 o 33.719  9.9579  189.321    87.101   123.361    205.895  203.699    96.126   28.525  13.088  34.392  10.531  -5.867481      16.79837 
1 1 1 -23 15  27 o 62.697  7.8353  577.993    116.594  660.853    244.518  553.609    132.645  48.299  16.909  58.940  9.6059  -10.64059      19.44684 
1 1 1 -23 15  28 o 72.259  5.1597  695.454    89.869   797.916    127.581  594.539    126.613  74.495  7.1459  62.168  8.6261  12.32719       11.20152 
1 1 1 -23 15  29 o 18.602  7.7859  32.852     58.942   -148.2690  88.984   174.446    78.677   14.081  6.9725  32.105  9.4592  -18.02423      11.75131 
1 1 1 -23 15  30 o 18.675  7.7692  35.894     58.189   0.1950     84.614   67.926     80.150   18.520  8.4573  22.210  9.1689  -3.690250      12.47374 
1 1 1 -23 15  31 o 18.907  7.8833  38.716     60.100   13.051     92.091   57.756     79.319   19.481  8.8678  21.285  8.9770  -1.804167      12.61841 
1 1 1 -23 15  32 o 44.440  6.7828  290.346    70.820   331.943    102.545  252.413    97.925   43.345  9.9594  36.579  10.489  6.766037       14.46432 
1 1 1 -23 15  33 o 18.155  7.7824  31.183     61.308   53.426     91.831   13.297     82.348   21.092  9.2765  18.529  8.4154  2.563524       12.52489 
1 1 1 -23 15  34 f 22.956  8.4090  87.803     61.219   30.194     87.543   142.939    85.643   19.530  8.7916  27.102  9.9432  -7.572206      13.27250 
1 1 1 -23 15  35 o 29.433  9.0454  155.902    70.850   101.698    97.497   216.558    103.135  23.613  9.9554  31.650  10.987  -8.036310      14.82646 
1 1 1 -23 15  36 o ?       ?       -510.6959  239.391  0.0000     0.0000   -510.6959  239.391  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 15  37 o 26.445  10.266  144.069    94.296   193.686    100.087  -247.8412  281.290  29.922  10.784  20.852  10.583  9.070244       15.10895 
1 1 1 -23 15  38 o 16.207  7.3130  4.9006     60.994   -18.2571   81.858   33.807     91.455   16.835  7.9018  19.740  8.9266  -2.904955      11.92155 
1 1 1 -23 15  39 o 15.452  7.0545  -4.7121    58.824   -111.6061  83.382   101.203    82.999   13.961  6.8827  23.648  9.4885  -9.686728      11.72193 
1 1 1 -23 15  40 f 19.586  9.8169  -163.2347  200.331  -163.2347  200.331  0.0000     0.0000   19.586  9.8169  ?       ?       0.000000       9.816857 
1 1 1 -23 15  41 o 15.929  7.5753  -34.3023   79.939   -12.7636   202.097  -38.2973   87.038   21.580  10.653  16.354  7.8124  5.226631       13.21081 
1 1 1 -23 15  42 o 18.329  8.5051  12.304     90.524   -119.1025  208.816  42.714     100.454  19.872  9.9686  20.039  9.1751  -0.1677608     13.54828 
1 1 1 -23 15  43 o 26.749  10.653  174.777    103.818  477.061    246.414  109.540    114.474  29.145  13.689  22.733  10.157  6.412596       17.04565 
1 1 1 -23 16  1  o 53.099  8.8531  404.996    110.047  249.462    209.325  464.402    129.368  36.518  14.916  55.882  9.9036  -19.36331      17.90473 
1 1 1 -23 16  2  o 42.864  9.5688  273.307    97.001   343.538    181.395  245.181    114.793  42.453  14.580  38.947  11.412  3.506031       18.51535 
1 1 1 -23 16  3  o 20.995  8.5474  40.142     68.447   -22.2293   98.775   97.760     94.936   20.115  9.1669  26.953  10.344  -6.838003      13.82149 
1 1 1 -23 16  4  o 20.600  8.4188  37.023     66.722   32.196     93.385   42.057     95.365   22.439  9.6116  23.171  9.8116  -0.7317905     13.73495 
1 1 1 -23 16  5  o 40.598  10.985  260.908    110.838  260.908    110.838  0.0000     0.0000   40.598  10.985  ?       ?       0.000000       10.98492 
1 1 1 -23 16  6  o 60.271  8.3797  512.436    119.231  512.436    119.231  0.0000     0.0000   60.271  8.3797  ?       ?       0.000000       8.379747 
1 1 1 -23 16  7  o 34.602  10.109  184.209    90.196   184.209    90.196   0.0000     0.0000   34.602  10.109  ?       ?       0.000000       10.10913 
1 1 1 -23 16  8  f 37.984  7.7948  203.328    69.432   176.220    93.123   237.263    104.189  33.660  10.374  38.798  10.714  -5.138222      14.91385 
1 1 1 -23 16  9  o 30.560  7.5767  132.126    55.904   127.237    89.183   135.291    71.750   29.167  10.212  30.221  9.0646  -1.053865      13.65440 
1 1 1 -23 16  10 o 73.063  4.6941  682.140    82.778   827.597    124.133  565.661    111.082  78.668  6.5631  64.325  7.2431  14.34304       9.774334 
1 1 1 -23 16  11 o 35.108  7.0581  170.800    58.040   148.515    92.502   185.270    74.537   30.953  10.414  35.508  8.7159  -4.555824      13.58005 
1 1 1 -23 16  12 o 38.294  6.7174  200.470    60.140   268.980    96.774   157.365    76.762   42.144  9.6691  32.288  9.2952  9.855701       13.41240 
1 1 1 -23 16  13 o 14.944  6.6321  -6.7938    47.969   10.489     83.745   -15.2331   58.520   20.178  8.8669  15.881  7.1649  4.296653       11.39989 
1 1 1 -23 16  14 o 53.062  6.4238  379.032    81.022   420.746    137.508  356.848    100.278  50.938  11.409  49.599  8.6468  1.339466       14.31543 
1 1 1 -23 16  15 o 85.371  5.0522  941.762    104.189  1113.82    155.037  800.061    140.696  90.201  7.1421  75.602  7.7809  14.59868       10.56187 
1 1 1 -23 16  16 o 26.130  10.533  89.163     102.803  48.280     118.731  211.609    205.478  24.510  10.669  33.703  14.342  -9.193474      17.87518 
1 1 1 -23 16  17 o 23.593  11.249  -74.2573   178.608  0.0000     0.0000   -74.2573   178.608  ?       ?       23.593  11.249  0.000000       11.24882 
1 1 1 -23 16  18 o 42.832  15.923  425.124    220.894  0.0000     0.0000   425.124    220.894  ?       ?       42.832  15.923  0.000000       15.92264 
1 1 1 -23 16  19 o 14.012  6.6524  -56.8785   61.141   0.0000     0.0000   -56.8785   61.141   ?       ?       14.012  6.6524  0.000000       6.652353 
1 1 1 -23 16  20 o 17.358  7.6435  2.7405     62.516   88.399     105.687  -43.3625   77.536   25.886  10.589  16.643  7.7725  9.242872       13.13556 
1 1 1 -23 16  21 o 22.899  8.3679  71.654     60.569   60.891     85.406   82.544     85.910   23.116  9.4948  24.717  9.7389  -1.600801      13.60137 
1 1 1 -23 16  22 o 35.143  7.5976  178.850    62.898   229.381    90.292   131.213    87.669   37.973  9.7496  28.642  10.117  9.330334       14.04999 
1 1 1 -23 16  23 o 58.124  5.3578  447.346    74.712   455.160    104.213  439.083    107.166  56.078  7.8760  54.530  8.3666  1.547974       11.49049 
1 1 1 -23 16  24 o 19.673  8.4816  25.738     73.610   0.0004     184.337  30.621     80.289   24.736  11.686  20.493  8.8466  4.242867       14.65686 
1 1 1 -23 16  25 o 46.187  9.3935  337.334    101.688  315.825    205.867  344.276    116.952  35.256  14.636  44.768  10.874  -9.511513      18.23353 
1 1 1 -23 16  26 o 35.144  10.259  213.289    92.929   152.290    196.788  230.796    105.424  28.687  13.021  35.587  11.050  -6.899101      17.07813 
1 1 1 -23 16  27 o 34.194  7.5644  175.214    61.098   93.969     87.586   252.223    85.272   24.616  9.7907  39.626  9.0652  -15.01073      13.34298 
1 1 1 -23 16  28 o 39.608  7.3219  232.453    67.776   217.937    97.226   246.175    94.531   34.470  10.597  37.486  10.146  -3.015434      14.67039 
1 1 1 -23 16  29 o 27.006  8.7494  120.884    65.476   220.492    96.501   35.910     89.131   34.412  10.553  20.565  9.0875  13.84660       13.92693 
1 1 1 -23 16  30 o 48.502  6.3129  336.066    72.533   231.406    104.795  432.314    100.495  34.076  11.071  52.658  8.1270  -18.58143      13.73380 
1 1 1 -23 16  31 o 52.685  6.3894  400.428    80.008   541.515    116.513  274.538    110.059  58.007  8.5332  36.730  11.271  21.27655       14.13723 
1 1 1 -23 16  32 o 14.478  6.7755  -26.4493   59.434   34.939     91.144   -71.8649   78.395   20.038  8.9997  14.723  7.1286  5.315061       11.48093 
1 1 1 -23 16  33 o 18.706  7.8562  41.401     60.338   -35.4175   86.616   113.823    84.100   16.612  7.8958  24.679  9.6629  -8.066149      12.47859 
1 1 1 -23 16  34 o 23.851  8.7506  100.043    66.331   104.384    98.439   96.433     89.772   23.673  9.9931  23.203  9.6513  0.4691086      13.89281 
1 1 1 -23 16  35 o 28.362  13.144  297.449    215.245  0.0000     0.0000   297.449    215.245  ?       ?       28.362  13.144  0.000000       13.14441 
1 1 1 -23 16  36 o 28.440  10.755  178.394    101.672  141.596    108.443  445.765    292.314  25.615  10.627  29.024  13.981  -3.408623      17.56174 
1 1 1 -23 16  37 o 18.640  7.9878  39.153     64.546   -66.6159   95.499   128.106    87.579   16.175  7.8411  25.429  9.8871  -9.253563      12.61895 
1 1 1 -23 16  38 o 26.122  9.0025  124.463    69.183   104.963    96.511   145.075    99.225   23.682  9.9403  26.258  10.428  -2.576302      14.40685 
1 1 1 -23 16  39 o 15.528  7.4736  -54.6554   83.067   214.238    237.981  -91.9608   88.642   25.938  12.524  14.896  7.2935  11.04219       14.49318 
1 1 1 -23 16  40 o 19.723  8.9959  35.215     95.368   95.103     252.280  25.230     103.012  23.633  11.709  19.615  9.0917  4.017927       14.82449 
1 1 1 -23 16  41 o 17.251  8.0885  -5.8865    85.399   151.138    242.226  -28.1750   91.259   23.926  11.783  16.811  8.0221  7.115726       14.25473 
1 1 1 -23 16  42 o 28.741  11.047  209.902    108.369  357.764    268.475  181.121    118.448  25.937  12.698  26.163  10.999  -0.2256374     16.79927 
1 1 1 -23 17  1  o 18.287  8.0180  3.7432     68.142   29.209     101.993  -16.7880   91.580   22.768  9.8996  19.583  8.8865  3.185709       13.30310 
1 1 1 -23 17  2  o 22.513  8.6306  60.994     66.041   50.464     94.258   71.147     92.556   23.484  9.8387  24.761  9.9900  -1.276672      14.02144 
1 1 1 -23 17  3  o 16.525  7.4594  -16.2702   63.532   19.778     91.858   -49.3268   87.964   21.491  9.3688  17.789  8.2979  3.701303       12.51517 
1 1 1 -23 17  4  o 25.789  8.9707  93.743     68.772   128.580    98.342   60.402     96.209   29.262  10.667  24.231  10.028  5.030930       14.64047 
1 1 1 -23 17  5  o 32.750  11.087  171.559    104.856  171.559    104.856  0.0000     0.0000   32.750  11.087  ?       ?       0.000000       11.08726 
1 1 1 -23 17  6  o 28.538  10.777  119.300    101.997  119.300    101.997  0.0000     0.0000   28.538  10.777  ?       ?       0.000000       10.77675 
1 1 1 -23 17  7  o 25.307  9.1217  88.716     71.618   23.558     103.530  148.509    99.176   22.539  9.8826  30.839  10.770  -8.300692      14.61718 
1 1 1 -23 17  8  o 15.706  6.9634  -6.0040    52.763   6.9667     86.037   -13.8224   66.798   20.222  8.9326  17.038  7.6736  3.184645       11.77607 
1 1 1 -23 17  9  o 45.351  6.0915  274.653    65.336   266.197    103.104  280.327    84.459   41.272  10.322  44.315  8.1552  -3.042980      13.15512 
1 1 1 -23 17  10 o 43.373  6.2685  253.059    64.055   317.728    98.583   205.805    84.268   46.387  9.0838  36.846  9.3964  9.541107       13.06937 
1 1 1 -23 17  11 o 23.473  7.7538  76.500     51.324   13.159     86.189   111.302    63.886   20.505  9.0034  27.548  8.6098  -7.042435      12.45754 
1 1 1 -23 17  12 o 60.044  5.1118  467.933    73.766   549.838    112.214  405.606    97.888   62.880  7.5030  53.728  7.7314  9.152462       10.77354 
1 1 1 -23 17  13 o 62.549  5.0889  507.670    76.564   503.454    116.073  510.917    101.869  59.291  8.2954  61.045  7.0043  -1.754150      10.85700 
1 1 1 -23 17  14 o 37.332  6.8782  193.069    60.009   147.707    95.314   222.859    77.240   30.479  10.563  39.039  8.4030  -8.559481      13.49786 
1 1 1 -23 17  15 o 58.999  8.7959  509.589    122.069  483.064    147.230  567.922    218.337  54.167  11.555  51.378  15.894  2.789112       19.64995 
1 1 1 -23 17  16 o 51.875  9.5609  408.228    115.909  486.804    133.579  168.764    233.192  55.974  10.212  31.917  14.360  24.05688       17.62051 
1 1 1 -23 17  17 o 31.260  13.961  157.821    216.053  0.0000     0.0000   157.821    216.053  ?       ?       31.260  13.961  0.000000       13.96076 
1 1 1 -23 17  18 o 20.090  8.6456  24.232     76.201   0.0000     0.0000   24.232     76.201   ?       ?       20.090  8.6456  0.000000       8.645579 
1 1 1 -23 17  19 o 70.187  5.6764  653.633    95.844   907.825    146.529  463.559    126.709  80.135  7.6280  54.567  9.9360  25.56741       12.52641 
1 1 1 -23 17  20 o 15.537  7.0756  -18.1722   58.719   -126.5097  90.383   60.949     77.240   15.151  7.4069  22.617  9.1257  -7.466191      11.75330 
1 1 1 -23 17  21 o 38.349  7.5803  212.638    68.036   195.783    103.919  225.283    90.007   33.592  11.030  37.452  9.7936  -3.860413      14.75062 
1 1 1 -23 17  22 o 18.560  7.5702  32.844     53.816   18.699     79.254   44.946     73.308   19.730  8.6489  21.009  8.7287  -1.279804      12.28795 
1 1 1 -23 17  23 o 47.087  9.1245  344.284    100.484  399.165    231.482  331.542    111.542  37.872  15.602  44.516  10.497  -6.644299      18.80502 
1 1 1 -23 17  24 o 41.543  9.8986  284.273    98.360   392.548    204.769  251.797    112.145  38.538  15.081  36.984  11.382  1.553898       18.89440 
1 1 1 -23 17  25 o 28.743  10.218  143.672    89.567   159.441    200.597  139.746    100.099  28.691  13.071  28.132  10.663  0.5590439      16.86869 
1 1 1 -23 17  26 o 20.919  8.1376  59.002     59.348   108.534    84.775   11.396     83.112   25.627  9.7893  19.132  8.5933  6.495625       13.02598 
1 1 1 -23 17  27 o 14.307  6.5638  -16.8939   51.763   18.640     74.604   -49.8807   71.881   18.749  8.2981  15.157  7.2009  3.591783       10.98689 
1 1 1 -23 17  28 o 25.816  8.3887  108.490    60.165   71.165     83.622   148.548    86.629   22.382  9.3128  28.467  10.056  -6.084633      13.70615 
1 1 1 -23 17  29 o 34.847  7.9792  192.039    66.013   63.801     93.561   319.161    93.153   22.007  9.5249  43.848  9.0555  -21.84098      13.14248 
1 1 1 -23 17  30 o 17.919  7.6408  30.201     58.535   8.6235     93.169   44.272     75.238   19.041  8.7614  19.901  8.5776  -0.8603916     12.26123 
1 1 1 -23 17  31 o 14.608  6.8029  -21.6007   58.743   -1.7200    90.062   -36.3212   77.497   18.237  8.4698  15.859  7.5176  2.377780       11.32483 
1 1 1 -23 17  32 o 16.558  7.3561  13.054     59.173   -39.2644   85.200   61.804     82.243   16.310  7.7744  20.935  8.9950  -4.624430      11.88914 
1 1 1 -23 17  33 o 31.286  8.6745  171.145    68.144   153.598    97.791   187.707    95.009   26.844  10.445  29.754  10.529  -2.910015      14.83099 
1 1 1 -23 17  34 f 23.482  11.474  86.230     215.926  0.0000     0.0000   86.230     215.926  ?       ?       23.482  11.474  0.000000       11.47354 
1 1 1 -23 17  35 o 21.102  9.1781  65.926     87.723   5.6950     98.043   307.699    196.431  18.680  8.7290  29.100  13.128  -10.42054      15.76508 
1 1 1 -23 17  36 o 24.607  8.7451  108.879    65.606   108.163    94.444   109.546    91.203   23.728  9.8869  23.862  9.8078  -0.1344032     13.92635 
1 1 1 -23 17  37 o 22.614  8.7933  88.585     69.276   1.0834     93.811   193.539    102.741  18.317  8.5526  29.456  10.877  -11.13838      13.83682 
1 1 1 -23 17  38 o 21.218  9.3437  65.511     93.425   212.762    254.143  42.503     100.459  25.567  12.483  20.313  9.2524  5.254168       15.53772 
1 1 1 -23 17  39 o 15.515  7.4462  -46.6120   81.107   -132.1982  247.113  -36.2789   85.863   20.755  10.467  16.256  7.7640  4.499218       13.03184 
1 1 1 -23 17  40 o 15.842  7.6604  -53.7290   89.790   -16.2956   252.466  -59.1495   96.071   21.699  10.896  16.135  7.8314  5.563938       13.41817 
1 1 1 -23 17  41 o 23.877  9.9681  126.742    96.267   30.429     270.481  140.712    103.013  21.773  10.976  24.485  10.273  -2.712269      15.03368 
1 1 1 -23 18  1  o 47.826  7.2127  315.894    81.098   375.171    115.643  258.534    113.759  49.648  9.9462  39.645  11.285  10.00329       15.04243 
1 1 1 -23 18  2  o 29.796  9.0943  132.973    71.763   79.704     106.067  177.942    97.455   25.791  10.586  33.349  10.661  -7.557596      15.02375 
1 1 1 -23 18  3  o 18.393  7.9928  9.3397     66.414   40.609     98.405   -16.8174   90.003   23.027  9.8650  19.342  8.7897  3.685501       13.21275 
1 1 1 -23 18  4  o 56.749  9.3261  476.316    123.955  476.316    123.955  0.0000     0.0000   56.749  9.3261  ?       ?       0.000000       9.326122 
1 1 1 -23 18  5  o 31.020  10.921  153.007    102.089  153.007    102.089  0.0000     0.0000   31.020  10.921  ?       ?       0.000000       10.92130 
1 1 1 -23 18  6  o 70.385  8.0208  698.507    134.535  698.507    134.535  0.0000     0.0000   70.385  8.0208  ?       ?       0.000000       8.020798 
1 1 1 -23 18  7  o 88.633  5.1154  1016.16    109.544  947.286    152.778  1089.03    157.152  82.387  7.7330  88.916  7.3500  -6.528290      10.66875 
1 1 1 -23 18  8  o 71.976  5.0226  669.855    87.167   743.863    132.951  614.059    115.440  73.071  7.6103  66.749  7.2439  6.321609       10.50675 
1 1 1 -23 18  9  o 76.780  4.7452  757.334    87.971   852.379    129.645  676.230    119.760  79.210  6.8117  70.151  7.1351  9.058937       9.864552 
1 1 1 -23 18  10 o 43.109  6.2655  251.018    63.620   306.489    98.785   211.704    83.162   45.131  9.3293  37.365  9.2275  7.765617       13.12180 
1 1 1 -23 18  11 o 18.031  7.3510  27.381     50.715   74.774     85.674   1.8163     62.924   24.380  9.6876  17.422  7.6702  6.958099       12.35644 
1 1 1 -23 18  12 o 28.614  7.9203  119.286    56.860   177.007    92.599   84.351     72.040   33.157  10.366  24.650  9.1070  8.506565       13.79834 
1 1 1 -23 18  13 o 42.376  8.6370  265.038    85.795   319.281    101.660  130.779    159.937  45.828  9.4559  29.607  12.627  16.22153       15.77544 
1 1 1 -23 18  14 o 24.223  9.5662  75.500     83.068   167.117    103.092  -94.0947   140.262  31.764  10.987  20.568  9.8506  11.19567       14.75633 
1 1 1 -23 18  15 o 58.348  7.7865  483.677    107.486  466.657    133.056  515.649    182.361  54.278  10.482  51.624  14.141  2.654514       17.60272 
1 1 1 -23 18  16 o 40.153  15.689  388.417    221.350  0.0000     0.0000   388.417    221.350  ?       ?       40.153  15.689  0.000000       15.68895 
1 1 1 -23 18  17 o 60.154  7.7093  515.159    109.934  0.0000     0.0000   515.159    109.934  ?       ?       60.154  7.7093  0.000000       7.709310 
1 1 1 -23 18  18 o 83.893  6.7774  968.939    136.781  2250.49    315.282  671.807    151.812  116.737 11.271  65.804  9.8076  50.93240       14.94069 
1 1 1 -23 18  19 o 19.698  8.1914  34.719     64.646   61.052     106.985  19.576     81.132   23.976  10.279  20.024  8.7650  3.952147       13.50884 
1 1 1 -23 18  20 o 33.465  8.3349  169.561    67.424   234.758    97.302   109.340    93.516   37.504  10.353  26.573  10.249  10.93055       14.56777 
1 1 1 -23 18  21 o 9.6044  4.8175  -127.6997  48.700   -28.9528   79.775   -186.3620  61.487   17.256  7.9991  10.157  5.1332  7.099355       9.504462 
1 1 1 -23 18  22 o 22.343  9.2026  60.812     80.505   363.412    209.664  8.4821     87.189   37.055  15.006  19.617  8.8070  17.43889       17.39931 
1 1 1 -23 18  23 o 25.903  9.8872  108.073    86.438   232.551    199.815  79.416     95.873   31.391  13.748  23.997  9.9770  7.393864       16.98638 
1 1 1 -23 18  24 o 20.013  8.0182  48.599     59.174   53.141     82.189   43.711     85.264   21.584  9.1223  21.151  9.1236  0.4333286      12.90181 
1 1 1 -23 18  25 o 14.467  6.6013  -13.9725   51.425   -16.6436   76.257   -11.7446   69.644   17.094  7.8874  16.692  7.6413  0.4020901      10.98188 
1 1 1 -23 18  26 o 18.043  7.4907  32.559     53.930   54.618     78.855   13.173     73.921   21.185  8.9435  18.311  8.1729  2.873295       12.11541 
1 1 1 -23 18  27 o 21.279  8.1907  66.465     59.637   -11.4961   86.339   137.602    82.473   17.940  8.3181  27.556  9.8038  -9.616074      12.85712 
1 1 1 -23 18  28 o 20.457  8.1240  58.989     60.219   80.369     86.830   39.176     83.587   22.747  9.4793  20.102  8.8455  2.645195       12.96530 
1 1 1 -23 18  29 o 24.558  8.6039  102.717    63.317   189.014    91.162   22.289     88.008   30.976  10.339  19.279  8.7340  11.69698       13.53411 
1 1 1 -23 18  30 o 26.515  8.7083  123.569    64.772   131.549    92.275   115.818    90.944   25.777  10.113  24.674  9.9209  1.103209       14.16708 
1 1 1 -23 18  31 o 16.545  7.3735  12.629     59.926   7.2041     86.745   17.582     82.883   18.201  8.4032  18.448  8.4033  -0.2469482     11.88396 
1 1 1 -23 18  32 o 34.095  8.3888  197.760    68.925   168.181    99.159   225.411    95.874   27.683  10.584  32.814  10.583  -5.131140      14.96729 
1 1 1 -23 18  33 o 24.186  9.9000  116.465    92.448   120.952    101.714  95.152     221.695  24.282  10.199  23.485  11.507  0.7965202      15.37625 
1 1 1 -23 18  34 o 18.709  8.6491  15.786     92.336   118.483    102.553  -423.9197  212.203  24.087  10.186  ?       ?       0.000000       10.18575 
1 1 1 -23 18  35 o 18.741  8.0911  40.596     67.175   147.344    96.052   -61.6006   93.981   26.204  10.306  16.091  7.7949  10.11278       12.92216 
1 1 1 -23 18  36 o 50.987  6.6846  391.334    80.706   378.361    113.870  404.430    114.404  43.439  10.839  45.624  10.546  -2.184643      15.12240 
1 1 1 -23 18  37 o 17.981  7.8530  31.181     64.799   69.311     87.951   -14.0926   95.835   21.220  9.2095  17.757  8.4001  3.462986       12.46504 
1 1 1 -23 18  38 o 20.316  10.250  -146.8562  238.756  -146.8562  238.756  0.0000     0.0000   20.316  10.250  ?       ?       0.000000       10.25019 
1 1 1 -23 18  39 o 23.197  9.8646  110.141    97.086   459.541    267.533  57.149     104.188  28.349  13.584  20.567  9.3892  7.782015       16.51329 
1 1 1 -23 18  40 o 25.321  10.267  151.990    98.275   -43.6138   290.470  177.275    104.434  21.154  10.738  26.609  10.655  -5.454720      15.12744 
1 1 1 -23 19  1  o 53.465  6.3344  384.992    80.578   437.724    112.898  330.240    115.040  54.708  8.8035  45.588  10.601  9.120136       13.77950 
1 1 1 -23 19  2  o 23.955  8.8934  77.311     68.865   34.434     98.037   119.076    96.757   22.522  9.7489  28.127  10.522  -5.605003      14.34404 
1 1 1 -23 19  3  o 55.060  9.1605  449.349    118.081  449.349    118.081  0.0000     0.0000   55.060  9.1605  ?       ?       0.000000       9.160489 
1 1 1 -23 19  4  o 21.459  9.5009  14.891     97.883   14.891     97.883   0.0000     0.0000   21.459  9.5009  ?       ?       0.000000       9.500907 
1 1 1 -23 19  5  o 19.281  8.8895  -29.4121   96.567   -29.4121   96.567   0.0000     0.0000   19.281  8.8895  ?       ?       0.000000       8.889515 
1 1 1 -23 19  6  o 23.291  9.0024  68.788     72.277   75.925     103.225  61.924     101.234  25.208  10.406  24.257  10.181  0.9517937      14.55805 
1 1 1 -23 19  7  o 56.004  5.7373  415.516    76.864   372.746    126.249  440.706    96.891   47.860  11.089  56.337  7.2567  -8.477356      13.25229 
1 1 1 -23 19  8  o 33.408  8.1260  163.366    65.239   266.202    109.435  106.671    81.256   40.241  10.926  26.836  9.7095  13.40484       14.61718 
1 1 1 -23 19  9  o 71.419  5.1037  663.183    87.860   781.718    134.847  575.741    115.819  74.743  7.5384  64.012  7.6057  10.73116       10.70855 
1 1 1 -23 19  10 o 61.902  5.1499  499.755    76.650   532.640    115.708  474.039    102.320  61.089  7.9983  58.202  7.4137  2.887089       10.90578 
1 1 1 -23 19  11 o 59.414  5.3234  463.078    75.930   551.913    114.263  392.828    101.610  62.485  7.6993  52.027  8.3301  10.45817       11.34331 
1 1 1 -23 19  12 o 70.300  7.2609  687.978    122.071  753.162    151.607  567.814    205.844  71.312  8.9596  52.111  15.285  19.20058       17.71750 
1 1 1 -23 19  13 o 58.783  7.9354  494.723    110.291  617.383    138.484  281.986    182.377  64.215  9.1464  36.540  14.251  27.67479       16.93361 
1 1 1 -23 19  14 o 23.542  9.5159  67.755     84.148   227.624    106.388  -199.3953  137.527  36.602  11.051  17.823  8.7965  18.77891       14.12462 
1 1 1 -23 19  15 o 15.300  7.5437  -161.8655  100.259  0.0000     0.0000   -161.8655  100.259  ?       ?       15.300  7.5437  0.000000       7.543659 
1 1 1 -23 19  16 o 25.151  9.4620  91.973     78.463   0.0000     0.0000   91.973     78.463   ?       ?       25.151  9.4620  0.000000       9.462048 
1 1 1 -23 19  17 o 12.279  5.9886  -87.4491   58.053   0.0000     0.0000   -87.4491   58.053   ?       ?       12.279  5.9886  0.000000       5.988570 
1 1 1 -23 19  18 o 30.986  8.5252  147.342    66.107   7.6451     115.133  216.048    80.743   21.752  9.9069  37.272  9.0245  -15.51914      13.40102 
1 1 1 -23 19  19 o 25.695  8.8282  101.170    66.504   152.587    99.781   60.072     89.207   29.753  10.760  22.844  9.5711  6.908838       14.40103 
1 1 1 -23 19  20 o 32.680  9.9136  179.034    85.466   70.169     209.152  200.856    93.641   26.895  12.626  34.165  10.380  -7.270222      16.34456 
1 1 1 -23 19  21 o 18.210  8.1878  1.6779     75.676   -107.8970  184.933  23.717     82.938   21.846  10.662  20.020  8.8101  1.825485       13.83071 
1 1 1 -23 19  22 o 13.581  6.5884  -82.7412   67.763   -374.7717  178.751  -33.7297   73.229   17.357  8.7707  16.135  7.5411  1.222776       11.56690 
1 1 1 -23 19  23 o 11.444  5.5989  -80.4636   51.939   -126.5744  90.893   -58.1070   63.290   14.796  7.2734  13.869  6.6356  0.9271402      9.845490 
1 1 1 -23 19  24 o 35.827  7.8890  197.914    66.725   243.349    95.561   154.688    93.209   36.856  10.291  28.913  10.408  7.942909       14.63688 
1 1 1 -23 19  25 o 19.255  7.8856  43.813     58.694   -47.2541   85.173   126.165    80.996   16.474  7.8299  26.691  9.6882  -10.21706      12.45667 
1 1 1 -23 19  26 o 15.385  6.9363  -2.6676    54.743   12.949     83.245   -14.5668   72.665   18.759  8.4968  16.571  7.6649  2.188444       11.44314 
1 1 1 -23 19  27 o 10.008  4.9742  -96.6653   46.942   -191.3455  75.784   -37.7222   59.795   11.539  5.8163  14.035  6.6381  -2.495455      8.825757 
1 1 1 -23 19  28 o 16.822  7.3501  18.627     56.824   -20.8901   84.917   50.672     76.468   17.088  8.0293  20.190  8.6742  -3.101980      11.81990 
1 1 1 -23 19  29 o 19.803  8.1068  55.140     62.000   117.296    87.762   -6.7864    87.599   24.704  9.8085  17.710  8.2675  6.994141       12.82803 
1 1 1 -23 19  30 o 15.117  6.9898  -11.9503   60.344   70.950     83.171   -104.0994  87.688   21.329  9.1017  14.459  7.1146  6.870688       11.55242 
1 1 1 -23 19  31 o 16.277  7.3512  7.6054     61.796   58.608     94.024   -31.1791   81.992   20.748  9.2421  16.154  7.6791  4.594280       12.01598 
1 1 1 -23 19  32 o 19.103  8.6472  32.613     86.066   60.987     95.592   -88.8418   197.775  20.837  9.2976  20.097  10.024  0.7401733      13.67227 
1 1 1 -23 19  33 o 16.928  7.9491  -11.7324   83.010   -90.5075   91.766   342.992    194.729  15.051  7.3803  29.785  13.282  -14.73390      15.19438 
1 1 1 -23 19  34 o 27.614  8.8398  140.256    66.988   162.875    96.018   118.806    93.503   27.194  10.411  24.168  9.9316  3.026180       14.38836 
1 1 1 -23 19  35 o 26.133  8.8957  126.457    67.503   70.746     95.736   181.541    95.194   21.381  9.4346  28.817  10.497  -7.436630      14.11345 
1 1 1 -23 19  36 o 12.866  6.1933  -51.3304   57.091   -45.5203   82.369   -56.7024   79.203   15.632  7.5030  14.984  7.2326  0.6484013      10.42144 
1 1 1 -23 19  37 o 21.464  10.764  -33.9929   242.470  -33.9929   242.470  0.0000     0.0000   21.464  10.764  ?       ?       0.000000       10.76411 
1 1 1 -23 19  38 o 17.437  8.2592  -9.0413    93.196   -41.6035   249.342  -3.7536    100.479  21.118  10.632  18.010  8.5438  3.107914       13.63986 
1 1 1 -23 19  39 o 16.113  7.6952  -24.6354   84.321   -169.1171  251.772  -6.3823    89.489   19.508  9.9115  17.089  8.0941  2.418570       12.79658 
1 1 1 -23 20  1  o 90.616  5.0779  1065.80    111.200  1109.04    156.111  1021.26    158.435  89.492  7.2516  85.120  7.7562  4.372131       10.61809 
1 1 1 -23 20  2  o 95.606  4.9909  1183.56    115.377  1221.87    160.579  1142.69    165.885  94.222  7.0755  90.222  7.6497  4.000488       10.42016 
1 1 1 -23 20  3  o 53.569  9.1078  428.133    114.147  428.133    114.147  0.0000     0.0000   53.569  9.1078  ?       ?       0.000000       9.107815 
1 1 1 -23 20  4  o 28.572  10.760  127.174    101.505  127.174    101.505  0.0000     0.0000   28.572  10.760  ?       ?       0.000000       10.75955 
1 1 1 -23 20  5  o 42.293  7.9599  257.803    78.687   262.616    112.329  253.165    110.260  39.507  11.203  38.839  11.128  0.6685905      15.79053 
1 1 1 -23 20  6  o 21.998  8.2666  62.279     59.857   149.183    107.385  23.109     72.095   30.183  11.125  19.685  8.4390  10.49755       13.96350 
1 1 1 -23 20  7  f 16.518  7.2181  3.7839     54.814   29.334     99.835   -7.2419    65.583   22.172  9.7137  17.093  7.6587  5.078821       12.36984 
1 1 1 -23 20  8  o 24.399  8.4169  85.325     60.482   102.737    107.358  77.230     73.205   26.831  10.782  23.913  9.1058  2.918062       14.11294 
1 1 1 -23 20  9  o 58.379  5.7025  452.951    79.745   481.718    125.604  433.525    103.216  56.176  9.5571  54.951  7.9741  1.225010       12.44687 
1 1 1 -23 20  10 o 80.631  6.3712  879.900    123.634  931.321    144.824  741.732    237.396  81.527  7.4018  58.274  16.203  23.25230       17.81329 
1 1 1 -23 20  11 o 55.242  8.1962  443.146    106.530  504.111    133.942  338.185    175.747  56.686  10.109  39.872  14.298  16.81430       17.51063 
1 1 1 -23 20  12 o 69.401  7.3427  676.816    121.770  703.880    150.839  626.173    206.334  68.025  9.3889  55.059  15.026  12.96535       17.71772 
1 1 1 -23 20  13 o 28.135  9.9235  125.270    84.325   112.847    106.420  146.229    138.230  27.216  10.803  29.518  12.097  -2.302109      16.21800 
1 1 1 -23 20  14 o 33.433  7.9294  165.218    63.351   205.377    110.242  145.417    77.409   34.071  11.369  30.227  9.4823  3.843895       14.80447 
1 1 1 -23 20  15 o 48.721  10.227  383.121    117.044  0.0000     0.0000   383.121    117.044  ?       ?       48.721  10.227  0.000000       10.22665 
1 1 1 -23 20  16 o 37.124  10.424  232.001    97.760   0.0000     0.0000   232.001    97.760   ?       ?       37.124  10.424  0.000000       10.42443 
1 1 1 -23 20  17 o 52.264  6.4362  377.910    79.896   313.060    123.457  424.642    104.802  41.478  11.738  53.316  8.3774  -11.83825      14.42120 
1 1 1 -23 20  18 o 28.065  8.4469  122.241    62.227   62.397     94.623   167.845    82.601   23.097  9.7764  31.752  9.7682  -8.655018      13.82015 
1 1 1 -23 20  19 o 40.489  10.504  281.953    104.082  0.0000     0.0000   281.953    104.082  ?       ?       40.489  10.504  0.000000       10.50441 
1 1 1 -23 20  20 o 27.782  9.7580  130.286    81.467   43.587     208.766  145.860    88.482   25.631  12.204  28.938  10.169  -3.307474      15.88556 
1 1 1 -23 20  21 o 19.541  8.5700  25.690     77.893   -79.6547   188.398  47.411     85.548   22.112  10.785  21.309  9.1653  0.8037853      14.15347 
1 1 1 -23 20  22 o 16.513  7.3025  6.9010     57.665   17.913     89.908   -0.7947    75.161   19.794  8.9100  17.732  8.0483  2.061756       12.00681 
1 1 1 -23 20  23 o 21.342  8.1854  66.141     59.422   -85.6199   91.605   176.389    78.077   15.831  7.6755  31.913  9.4289  -16.08228      12.15797 
1 1 1 -23 20  24 o 19.660  8.0371  48.292     60.835   32.784     95.325   58.949     79.019   20.496  9.2048  21.253  8.9614  -0.7564659     12.84664 
1 1 1 -23 20  25 o 15.745  7.0181  4.5121     54.317   -144.4626  82.534   118.331    72.141   13.247  6.5860  25.924  9.1750  -12.67769      11.29404 
1 1 1 -23 20  26 o 12.119  5.8680  -61.6032   53.130   24.804     82.264   -123.4369  69.590   19.042  8.5515  12.278  6.0946  6.764561       10.50106 
1 1 1 -23 20  27 o 16.539  7.2718  16.071     56.394   29.148     85.544   6.0199     74.998   19.279  8.6834  17.451  7.9664  1.827841       11.78409 
1 1 1 -23 20  28 o 20.727  8.2921  66.919     63.185   -29.9652   89.393   163.649    89.322   16.864  8.0170  28.150  10.181  -11.28638      12.95839 
1 1 1 -23 20  29 o 19.014  8.0375  46.868     63.823   7.1990     88.715   89.424     91.887   18.140  8.4182  22.423  9.5676  -4.283722      12.74380 
1 1 1 -23 20  30 o 12.394  6.0084  -59.8308   56.077   -163.9233  74.636   75.099     84.975   11.737  5.8975  21.366  9.1607  -9.628803      10.89493 
1 1 1 -23 20  31 o 13.165  6.4734  -92.3157   72.182   -68.2176   77.229   -258.8381  203.014  14.384  6.9907  18.107  9.1685  -3.722674      11.52959 
1 1 1 -23 20  32 o 12.930  6.4165  -119.5577  76.941   -151.4850  84.604   33.132     185.018  12.958  6.4775  21.620  10.576  -8.662481      12.40174 
1 1 1 -23 20  33 o 15.990  7.2706  4.4151     61.699   11.630     87.738   -2.6429    86.780   18.129  8.3986  17.479  8.1823  0.6499481      11.72545 
1 1 1 -23 20  34 o 23.887  8.8793  105.866    68.691   185.932    94.544   16.347     99.969   29.049  10.479  18.967  8.8467  10.08236       13.71401 
1 1 1 -23 20  35 o 20.615  8.3067  68.808     63.905   82.357     91.208   55.743     89.564   21.788  9.4174  20.295  9.0317  1.493401       13.04836 
1 1 1 -23 20  36 o 20.740  10.433  -76.6082   237.431  -76.6082   237.431  0.0000     0.0000   20.740  10.433  ?       ?       0.000000       10.43338 
1 1 1 -23 20  37 o 19.912  9.0917  50.589     97.740   -66.6175   270.908  68.129     104.799  20.969  10.615  20.826  9.4722  0.1425934      14.22673 
1 1 1 -23 20  38 o 18.522  8.6424  26.125     95.528   -253.0265  271.509  65.564     102.053  ?       ?       20.316  9.2814  0.000000       9.281372 
1 1 1 -23 21  1  o 73.740  5.3872  714.731    95.722   655.114    133.773  777.285    137.029  67.082  8.4030  74.006  7.7458  -6.923622      11.42840 
1 1 1 -23 21  2  o 51.287  9.7776  407.190    117.233  407.190    117.233  0.0000     0.0000   51.287  9.7776  ?       ?       0.000000       9.777608 
1 1 1 -23 21  3  o 31.239  10.954  163.325    102.636  163.325    102.636  0.0000     0.0000   31.239  10.954  ?       ?       0.000000       10.95379 
1 1 1 -23 21  4  o 20.938  9.3095  13.760     94.950   13.760     94.950   0.0000     0.0000   20.938  9.3095  ?       ?       0.000000       9.309506 
1 1 1 -23 21  5  o 29.992  9.7586  142.701    81.409   150.159    130.214  137.916    104.307  29.939  11.928  29.161  10.922  0.7776489      16.17301 
1 1 1 -23 21  6  o 29.250  8.0418  126.795    58.847   144.484    105.198  118.739    70.994   29.627  10.993  27.834  9.1158  1.793068       14.28105 
1 1 1 -23 21  7  o 14.143  6.4674  -20.5597   49.693   11.010     100.861  -30.6792   57.104   21.194  9.4968  14.639  6.7796  6.555112       11.66842 
1 1 1 -23 21  8  o 23.951  8.3860  82.256     60.145   208.435    107.265  24.391     72.639   34.702  11.194  19.694  8.4575  15.00763       14.02981 
1 1 1 -23 21  9  o 42.564  11.021  305.379    114.717  213.992    144.510  461.099    188.637  33.435  12.779  46.222  14.838  -12.78642      19.58217 
1 1 1 -23 21  10 o 24.621  10.106  78.176     96.677   38.373     121.576  146.633    159.439  23.609  10.513  29.592  12.614  -5.983599      16.42093 
1 1 1 -23 21  11 o 10.917  5.5442  -263.5679  78.079   -387.0503  99.575   -66.4456   125.810  ?       ?       19.987  9.5046  0.000000       9.504566 
1 1 1 -23 21  12 o 140.618 8.6190  2934.52    292.659  4694.61    379.676  357.829    459.386  177.174 8.8318  33.516  16.450  143.6578       18.67124 
1 1 1 -23 21  13 o 18.406  8.0384  13.498     67.892   318.133    193.715  -29.1604   72.490   36.658  14.567  16.525  7.6479  20.13266       16.45244 
1 1 1 -23 21  14 o 29.377  10.014  142.887    85.547   0.0000     0.0000   142.887    85.547   ?       ?       29.377  10.014  0.000000       10.01417 
1 1 1 -23 21  15 o 32.122  10.547  178.966    95.019   0.0000     0.0000   178.966    95.019   ?       ?       32.122  10.547  0.000000       10.54730 
1 1 1 -23 21  16 o 67.905  6.9506  651.866    112.908  839.648    249.238  603.379    126.649  58.085  16.757  63.278  8.4605  -5.193382      18.77190 
1 1 1 -23 21  17 o 13.028  6.2480  -60.0974   56.869   93.958     92.027   -155.2706  72.333   24.920  9.9940  12.156  6.0631  12.76425       11.68943 
1 1 1 -23 21  18 o 13.821  6.6120  -59.3599   62.800   -109.5821  148.151  -48.3590   69.338   19.738  9.6131  15.079  7.1369  4.659215       11.97276 
1 1 1 -23 21  19 o 31.145  9.8179  168.135    82.878   161.568    174.848  170.038    94.124   28.316  12.609  30.552  10.502  -2.236298      16.40982 
1 1 1 -23 21  20 o 17.235  7.7755  0.2833     68.916   -15.5789   160.015  3.8956     76.361   22.194  10.600  18.092  8.1714  4.101938       13.38391 
1 1 1 -23 21  21 o 18.041  7.6712  28.110     58.705   62.734     85.501   -2.7700    80.745   21.945  9.2912  18.002  8.2364  3.942547       12.41626 
1 1 1 -23 21  22 o 17.104  7.4432  17.812     57.753   30.362     89.792   8.9574     75.424   20.120  8.9920  18.053  8.1404  2.067310       12.12937 
1 1 1 -23 21  23 o 23.541  8.7527  91.585     66.754   -9.6937    100.975  170.211    88.969   18.871  8.8315  29.791  10.212  -10.91992      13.50127 
1 1 1 -23 21  24 o 20.469  8.1661  60.466     61.099   3.9800     99.201   94.990     77.555   19.125  8.8846  23.542  9.2605  -4.416260      12.83322 
1 1 1 -23 21  25 o 19.997  7.9494  57.851     57.713   79.023     85.062   39.791     78.563   22.198  9.3255  19.553  8.5903  2.644550       12.67906 
1 1 1 -23 21  26 o 13.879  6.4985  -24.7787   54.796   -18.9488   76.649   -30.8728   78.366   16.337  7.6609  15.995  7.5754  0.3416862      10.77389 
1 1 1 -23 21  27 o 17.656  7.6074  31.559     59.140   -2.5939    79.218   74.558     88.888   17.124  7.9497  21.542  9.3039  -4.417839      12.23762 
1 1 1 -23 21  28 o 15.014  6.9122  -7.5277    58.094   40.175     78.654   -64.7876   86.174   19.121  8.4887  15.296  7.4225  3.824906       11.27612 
1 1 1 -23 21  29 o 13.772  6.5356  -33.5653   58.904   -54.5271   82.592   -11.8660   84.033   15.260  7.3708  16.891  7.9526  -1.631300      10.84312 
1 1 1 -23 21  30 o 14.207  6.9407  -77.4892   78.939   -43.5832   85.606   -270.0826  204.026  15.826  7.6095  17.911  9.0820  -2.085161      11.84847 
1 1 1 -23 21  31 o 16.771  7.9186  -14.4549   84.427   -23.5010   92.066   33.372     211.691  16.944  8.0779  21.786  10.782  -4.842064      13.47221 
1 1 1 -23 21  32 o 29.381  9.0711  163.523    71.160   11.945     100.706  314.674    100.564  18.690  8.7697  39.511  10.362  -20.82137      13.57470 
1 1 1 -23 21  33 o 27.630  9.0919  146.030    70.592   301.039    98.891   -15.0253   100.801  38.661  10.341  17.789  8.4731  20.87109       13.36864 
1 1 1 -23 21  34 o 10.663  5.3212  -113.1947  56.005   -108.6030  78.141   -118.0446  80.308   13.283  6.5695  13.259  6.5756  0.2434254E-01  9.295018 
1 1 1 -23 21  35 o 22.354  11.159  69.947     247.264  69.947     247.264  0.0000     0.0000   22.354  11.159  ?       ?       0.000000       11.15927 
1 1 1 -23 21  36 o 19.169  8.8609  36.611     96.873   94.419     267.940  27.918     103.902  22.296  11.199  19.067  8.9344  3.228668       14.32633 
1 1 1 -23 21  37 f 17.201  8.1611  -2.0161    91.742   -218.3955  266.173  27.154     97.730   ?       ?       18.531  8.6773  0.000000       8.677337 
1 1 1 -23 22  1  o 19.891  8.8773  7.1505     87.198   -14.9485   92.778   174.485    255.299  19.297  8.8288  31.262  14.427  -11.96469      16.91443 
1 1 1 -23 22  2  o 29.080  10.886  139.027    103.604  139.027    103.604  0.0000     0.0000   29.080  10.886  ?       ?       0.000000       10.88598 
1 1 1 -23 22  3  o 34.410  11.117  205.179    105.765  205.179    105.765  0.0000     0.0000   34.410  11.117  ?       ?       0.000000       11.11710 
1 1 1 -23 22  4  o 54.497  6.9747  414.500    90.112   387.930    138.697  433.907    118.539  46.629  12.140  52.923  9.5840  -6.294186      15.46714 
1 1 1 -23 22  5  o 44.515  6.5792  274.039    68.923   272.574    135.065  274.554    80.143   37.813  12.583  43.444  7.8934  -5.630913      14.85357 
1 1 1 -23 22  6  o 46.087  6.1367  289.239    66.919   207.265    108.882  338.999    84.832   34.294  11.292  48.813  7.3940  -14.51841      13.49741 
1 1 1 -23 22  7  o 38.241  11.209  254.853    110.726  298.060    142.132  188.150    176.600  39.025  12.904  31.302  13.308  7.723660       18.53649 
1 1 1 -23 22  8  o 17.287  8.2554  -74.9702   97.007   -55.0605   123.298  -107.3172  157.160  20.102  9.5151  20.930  10.124  -0.8277340     13.89353 
1 1 1 -23 22  9  o 30.420  11.370  162.828    112.941  268.701    142.287  -17.4790   185.687  36.677  12.895  24.454  11.605  12.22283       17.34813 
1 1 1 -23 22  10 o 73.501  8.8159  815.119    154.089  1151.54    196.040  271.306    249.247  85.997  9.5567  33.188  14.896  52.80872       17.69801 
1 1 1 -23 22  11 o 58.153  6.8286  473.486    94.518   510.396    228.480  465.865    103.818  43.546  16.193  56.635  7.7589  -13.08869      17.95551 
1 1 1 -23 22  12 o 22.616  8.9997  67.087     74.038   320.531    197.830  25.807     79.840   36.013  14.579  20.079  8.7445  15.93417       17.00024 
1 1 1 -23 22  13 o 19.907  8.5580  30.316     74.517   0.0000     0.0000   30.316     74.517   ?       ?       19.907  8.5580  0.000000       8.557956 
1 1 1 -23 22  14 o 20.182  8.6910  32.728     77.107   0.0000     0.0000   32.728     77.107   ?       ?       20.182  8.6910  0.000000       8.691030 
1 1 1 -23 22  15 o 44.761  10.221  336.854    108.566  0.0000     0.0000   336.854    108.566  ?       ?       44.761  10.221  0.000000       10.22068 
1 1 1 -23 22  16 o 34.480  10.423  210.954    94.595   413.498    219.988  165.009    104.776  37.374  15.282  29.811  10.989  7.562731       18.82233 
1 1 1 -23 22  17 o 22.566  8.9073  73.094     71.984   -68.8819   150.040  115.545    82.043   20.595  9.9444  26.221  9.7125  -5.626072      13.90045 
1 1 1 -23 22  18 o 15.625  7.2474  -23.8054   65.626   3.4940     143.281  -31.0527   73.825   22.030  10.376  16.161  7.5593  5.868914       12.83737 
1 1 1 -23 22  19 o 30.107  9.8057  162.016    82.189   172.019    175.565  159.208    93.010   27.887  12.510  29.133  10.406  -1.245947      16.27262 
1 1 1 -23 22  20 o 33.159  8.5081  179.676    68.792   146.478    96.805   213.543    97.775   27.653  10.485  33.251  10.683  -5.598124      14.96911 
1 1 1 -23 22  21 o 43.580  7.4335  289.152    75.785   234.415    108.214  341.839    106.167  33.588  11.264  43.540  10.224  -9.951874      15.21201 
1 1 1 -23 22  22 o 43.325  7.3515  286.886    74.519   300.523    107.694  274.358    103.219  39.063  10.931  37.382  10.784  1.681183       15.35528 
1 1 1 -23 22  23 o 15.420  7.0514  -6.6878    59.080   21.220     87.360   -30.2087   80.201   19.060  8.6610  16.311  7.7064  2.749832       11.59317 
1 1 1 -23 22  24 o 28.357  8.9254  144.885    68.519   68.536     101.755  208.225    92.681   21.721  9.6484  31.949  10.413  -10.22853      14.19596 
1 1 1 -23 22  25 o 23.057  8.9612  95.473     71.920   46.482     97.976   152.718    105.908  20.345  9.2163  26.163  10.640  -5.817661      14.07628 
1 1 1 -23 22  26 o 10.987  5.4457  -96.7328   54.749   -209.2537  77.522   15.236     77.331   11.213  5.6763  17.733  8.0929  -6.520489      9.885152 
1 1 1 -23 22  27 o 15.791  7.2020  2.6107     61.113   -87.0470   79.864   129.282    94.928   14.030  6.8808  24.543  10.037  -10.51318      12.16934 
1 1 1 -23 22  28 o 16.857  7.4974  20.814     61.634   64.904     79.904   -43.9526   96.844   20.397  8.8152  16.552  7.9915  3.844803       11.89846 
1 1 1 -23 22  29 o 21.651  9.1752  85.050     83.503   111.285    91.840   -40.0825   200.576  23.241  9.7223  20.365  10.148  2.875383       14.05354 
1 1 1 -23 22  30 o 22.513  9.5835  99.789     91.809   87.841     100.539  159.762    225.250  21.825  9.6475  23.622  11.579  -1.797054      15.07122 
1 1 1 -23 22  31 o 21.799  8.5588  85.076     66.131   67.584     91.356   104.332    95.853   20.718  9.1753  22.770  9.7450  -2.052017      13.38476 
1 1 1 -23 22  32 o 21.528  8.5226  81.538     66.081   19.242     86.580   168.463    102.273  18.245  8.4136  26.659  10.587  -8.414045      13.52325 
1 1 1 -23 22  33 o 27.875  9.1628  151.705    71.704   170.159    97.443   129.910    105.895  27.038  10.452  24.015  10.259  3.023315       14.64609 
1 1 1 -23 22  34 o 22.209  11.092  78.565     245.616  78.565     245.616  0.0000     0.0000   22.209  11.092  ?       ?       0.000000       11.09229 
1 1 1 -23 22  35 o 22.851  9.9759  117.641    104.477  284.508    273.735  89.187     113.034  24.175  12.015  21.466  9.7918  2.708752       15.49967 
1 1 1 -23 22  36 o 17.874  8.3891  18.531     92.266   -469.2136  245.607  98.674     99.558   ?       ?       21.532  9.5552  0.000000       9.555240 
1 1 1 -23 23  1  o 18.465  8.5794  -31.2056   92.570   -31.2056   92.570   0.0000     0.0000   18.465  8.5794  ?       ?       0.000000       8.579390 
1 1 1 -23 23  2  o 23.575  10.097  59.204     103.057  59.204     103.057  0.0000     0.0000   23.575  10.097  ?       ?       0.000000       10.09748 
1 1 1 -23 23  3  o 25.671  9.4326  100.084    77.115   32.359     114.915  155.567    104.012  22.805  10.184  30.057  10.968  -7.251556      14.96686 
1 1 1 -23 23  4  o 50.469  6.8387  356.540    81.588   251.138    112.908  471.719    118.029  37.491  11.399  55.549  9.0698  -18.05814      14.56731 
1 1 1 -23 23  5  o 21.184  9.1601  34.902     86.366   121.017    115.429  -74.6249   130.177  27.494  11.134  19.920  9.5267  7.574343       14.65348 
1 1 1 -23 23  6  o 41.249  11.070  295.252    113.101  364.732    143.989  183.330    182.749  43.430  12.797  30.648  13.288  12.78174       18.44839 
1 1 1 -23 23  7  o 26.347  10.515  107.300    101.332  23.235     131.015  232.454    159.860  23.116  10.544  33.240  13.225  -10.12337      16.91360 
1 1 1 -23 23  8  o 52.186  10.224  444.085    124.824  530.720    158.895  304.439    201.733  53.790  12.425  35.141  14.530  18.64877       19.11780 
1 1 1 -23 23  9  o 59.951  9.5666  567.406    134.483  592.388    168.150  523.060    224.027  56.600  12.571  44.076  16.095  12.52410       20.42255 
1 1 1 -23 23  10 o 67.292  6.5938  631.255    106.279  652.252    226.089  625.299    120.412  50.817  16.237  65.450  7.7315  -14.63323      17.98373 
1 1 1 -23 23  11 o 20.044  8.5192  35.752     72.342   342.476    192.528  -14.6722   78.062   36.727  14.545  17.620  8.0751  19.10657       16.63607 
1 1 1 -23 23  12 o 24.126  9.4725  86.537     81.003   0.0000     0.0000   86.537     81.003   ?       ?       24.126  9.4725  0.000000       9.472500 
1 1 1 -23 23  13 o 16.059  7.5136  -35.2486   73.022   0.0000     0.0000   -35.2486   73.022   ?       ?       16.059  7.5136  0.000000       7.513560 
1 1 1 -23 23  14 o 18.012  8.1570  -0.7811    76.685   0.0000     0.0000   -0.7811    76.685   ?       ?       18.012  8.1570  0.000000       8.156979 
1 1 1 -23 23  15 o 16.348  7.4773  -12.3833   66.481   -139.3796  184.145  6.6504     71.289   20.752  10.230  17.862  7.9954  2.889341       12.98398 
1 1 1 -23 23  16 o 19.728  8.3684  39.655     69.570   -191.1309  155.625  97.295     77.774   18.259  9.0721  24.470  9.3694  -6.210920      13.04179 
1 1 1 -23 23  17 o 19.029  8.2243  30.996     69.557   57.468     147.546  23.432     78.871   23.607  10.920  19.203  8.5139  4.404169       13.84701 
1 1 1 -23 23  18 o 29.697  8.2886  143.653    62.000   151.688    87.689   135.621    87.675   28.485  10.112  27.102  10.040  1.383329       14.24956 
1 1 1 -23 23  19 o 26.296  8.7266  117.796    64.982   -17.6642   91.125   257.950    92.691   17.901  8.3813  37.796  9.9652  -19.89421      13.02122 
1 1 1 -23 23  20 o 37.257  8.1423  223.744    71.551   203.856    105.396  240.745    97.446   30.965  11.076  35.091  10.572  -4.126007      15.31169 
1 1 1 -23 23  21 o 13.389  6.3211  -33.7118   53.770   -4.4647    82.906   -54.9456   70.641   17.598  8.1566  14.459  6.9421  3.139096       10.71085 
1 1 1 -23 23  22 o 14.645  6.7654  -13.9617   56.339   -23.0446   90.559   -8.2266    71.960   17.267  8.1676  16.454  7.6167  0.8129272      11.16798 
1 1 1 -23 23  23 o 13.727  6.5362  -39.8414   59.898   -110.8203  91.197   14.007     79.433   14.575  7.1878  17.949  8.1956  -3.374093      10.90100 
1 1 1 -23 23  24 o 35.686  8.5623  221.198    73.193   173.676    103.745  268.291    103.277  27.373  10.728  35.091  10.944  -7.718151      15.32511 
1 1 1 -23 23  25 o 22.940  8.7375  96.902     67.414   84.409     98.506   107.908    92.458   21.809  9.5994  23.184  9.7303  -1.374754      13.66847 
1 1 1 -23 23  26 o 15.374  7.1302  -7.7762    63.506   -68.9165   91.104   50.012     88.571   15.399  7.5083  19.731  8.8663  -4.332325      11.61836 
1 1 1 -23 23  27 o 19.803  8.7544  55.962     82.804   40.751     89.873   141.405    213.008  19.242  8.7593  23.192  11.345  -3.950243      14.33310 
1 1 1 -23 23  28 o 14.584  7.0371  -49.9689   74.814   -73.6669   81.582   75.344     187.600  14.431  7.0513  21.865  10.685  -7.433500      12.80232 
1 1 1 -23 23  29 o 17.829  8.2930  12.770     86.870   -25.8514   94.905   212.337    215.734  16.861  8.0823  24.376  11.809  -7.515203      14.30968 
1 1 1 -23 23  30 o 15.579  7.1535  0.2800     61.675   33.246     85.296   -35.8405   89.284   18.698  8.5203  16.198  7.7842  2.500938       11.54072 
1 1 1 -23 23  31 o 20.130  8.2118  66.255     63.337   33.372     85.585   106.071    94.176   18.742  8.5379  22.770  9.7001  -4.028883      12.92236 
1 1 1 -23 23  32 o 21.394  9.3041  83.396     90.126   -229.0685  257.458  127.034    96.214   ?       ?       23.921  9.9742  0.000000       9.974201 
1 1 1 -23 23  33 f 20.555  10.386  -53.9255   250.388  -53.9255   250.388  0.0000     0.0000   20.555  10.386  ?       ?       0.000000       10.38581 
1 1 1 -23 23  34 o 18.165  8.5167  20.068     94.661   -74.3330   259.343  34.578     101.676  20.137  10.214  18.956  8.8681  1.180946       13.52643 
1 1 1 -23 23  35 o 17.620  8.2997  15.932     91.733   -312.0665  242.930  70.479     99.068   ?       ?       20.022  9.1462  0.000000       9.146217 
1 1 1 -23 24  1  o 151.792 8.8834  3503.20    325.757  3503.20    325.757  0.0000     0.0000   151.792 8.8834  ?       ?       0.000000       8.883352 
1 1 1 -23 24  2  f 29.184  11.116  149.392    109.113  149.392    109.113  0.0000     0.0000   29.184  11.116  ?       ?       0.000000       11.11595 
1 1 1 -23 24  3  o 40.067  12.357  309.955    132.091  309.955    132.091  0.0000     0.0000   40.067  12.357  ?       ?       0.000000       12.35701 
1 1 1 -23 24  4  o 42.642  9.8028  295.543    99.304   112.007    126.379  591.743    160.549  26.804  11.319  57.717  11.861  -30.91374      16.39511 
1 1 1 -23 24  5  o 23.221  9.5760  69.349     87.305   75.907     116.519  60.955     131.829  24.644  10.648  24.468  10.918  0.1765175      15.25060 
1 1 1 -23 24  6  o 23.026  9.6350  65.262     90.230   141.035    119.756  -34.2365   137.230  28.310  11.384  21.276  10.061  7.033754       15.19290 
1 1 1 -23 24  7  o 54.623  9.8559  482.940    125.823  401.729    156.460  631.599    211.687  43.770  13.440  51.356  15.607  -7.586349      20.59672 
1 1 1 -23 24  8  o 56.690  5.7594  436.923    78.123   523.157    128.672  386.575    98.318   57.103  9.6293  50.574  8.3000  6.528706       12.71272 
1 1 1 -23 24  9  o 52.091  7.2497  392.588    89.148   499.704    219.228  371.366    97.580   42.016  15.814  49.282  8.4653  -7.266304      17.93755 
1 1 1 -23 24  10 o 13.231  6.2745  -45.5812   54.107   40.036     96.936   -84.3265   65.210   21.629  9.5212  13.205  6.4190  8.423849       11.48290 
1 1 1 -23 24  11 o 18.777  7.8380  33.857     59.509   94.445     109.681  8.5800     70.843   24.955  10.542  18.010  8.0225  6.944906       13.24757 
1 1 1 -23 24  12 o 30.896  9.9522  167.818    84.809   0.0000     0.0000   167.818    84.809   ?       ?       30.896  9.9522  0.000000       9.952194 
1 1 1 -23 24  13 o 23.478  9.4317  83.592     82.116   0.0000     0.0000   83.592     82.116   ?       ?       23.478  9.4317  0.000000       9.431733 
1 1 1 -23 24  14 o 49.713  8.8263  395.536    102.567  386.101    232.387  397.818    114.302  33.841  14.823  47.999  10.132  -14.15797      17.95528 
1 1 1 -23 24  15 o 25.629  9.3888  113.030    76.319   305.655    154.956  51.338     87.693   34.779  13.247  21.238  9.2067  13.54143       16.13210 
1 1 1 -23 24  16 o 14.170  6.7669  -51.6177   65.191   75.198     151.141  -80.6035   72.258   23.928  11.063  13.934  6.7697  9.994318       12.97012 
1 1 1 -23 24  17 o 20.011  7.8233  56.385     55.064   90.918     76.487   19.230     79.337   23.379  9.1964  18.722  8.4034  4.657215       12.45759 
1 1 1 -23 24  18 o 23.097  8.4446  88.196     61.697   146.231    87.459   30.706     87.047   27.464  10.052  19.641  8.8101  7.823483       13.36665 
1 1 1 -23 24  19 o 13.467  6.3225  -28.5961   52.473   -6.8397    76.203   -48.2144   72.362   16.964  7.8477  14.876  7.1111  2.088566       10.59026 
1 1 1 -23 24  20 o 13.399  6.3482  -35.7308   55.131   -27.8403   85.610   -41.3214   72.062   16.715  7.9168  15.028  7.1595  1.687284       10.67402 
1 1 1 -23 24  21 f 33.211  8.6288  192.167    70.165   74.083     101.108  301.857    97.448   21.755  9.6428  39.729  10.090  -17.97475      13.95658 
1 1 1 -23 24  22 o 28.057  8.8777  145.569    67.715   201.636    101.887  101.209    90.627   29.605  10.848  23.000  9.6423  6.605106       14.51370 
1 1 1 -23 24  23 o 39.513  8.0053  260.879    74.122   187.939    107.682  326.557    102.182  27.716  10.909  40.240  10.393  -12.52447      15.06680 
1 1 1 -23 24  24 o 25.998  8.9706  131.143    68.703   132.029    100.946  130.379    93.771   24.212  10.165  24.368  9.9719  -0.1557617     14.23940 
1 1 1 -23 24  25 o 22.012  8.6921  90.106     68.575   138.272    105.609  54.993     90.171   24.237  10.297  19.862  8.9336  4.374727       13.63235 
1 1 1 -23 24  26 o 23.746  10.098  129.500    101.738  192.743    107.630  -401.1017  311.753  27.366  10.863  ?       ?       0.000000       10.86319 
1 1 1 -23 24  27 o 32.250  10.534  235.255    94.824   286.635    105.659  22.594     214.958  34.911  11.094  21.037  10.486  13.87420       15.26566 
1 1 1 -23 24  28 o 22.370  9.5724  103.058    92.459   87.050     101.513  180.972    223.961  21.459  9.5778  23.438  11.500  -1.978645      14.96627 
1 1 1 -23 24  29 o 20.889  8.3297  76.841     63.545   5.9647     85.654   163.607    94.769   17.407  8.1422  26.359  10.275  -8.952124      13.10990 
1 1 1 -23 24  30 o 11.114  5.5033  -91.7434   55.457   -53.1195   74.039   -141.1062  83.702   14.368  6.9496  12.928  6.4595  1.440150       9.487991 
1 1 1 -23 24  31 o 15.049  7.4036  -86.2939   94.807   92.588     241.717  -118.8161  103.065  22.079  11.024  14.897  7.3984  7.182014       13.27630 
1 1 1 -23 24  32 o 16.626  7.9598  -19.9508   91.419   5.9787     250.281  -23.9429   98.205   20.891  10.535  16.880  8.1246  4.010757       13.30370 
1 1 1 -23 24  33 o 15.262  7.5003  -73.2353   96.471   157.475    251.744  -112.9467  104.444  22.128  11.078  14.890  7.4038  7.238150       13.32440 
1 1 1 -23 24  34 o 15.249  7.4136  -43.7306   87.027   -204.3323  235.410  -18.3073   93.663   ?       ?       16.404  7.9050  0.000000       7.904956 
1 1 1 -23 25  1  o 19.845  9.3261  -31.8228   114.624  -31.8228   114.624  0.0000     0.0000   19.845  9.3261  ?       ?       0.000000       9.326110 
1 1 1 -23 25  2  o 20.129  9.2197  -0.3031    101.561  -5.0364    109.349  29.420     274.017  20.456  9.4411  26.802  13.058  -6.345558      16.11343 
1 1 1 -23 25  3  o 15.532  7.4458  -70.3272   80.560   -73.2555   105.547  -66.2405   124.687  17.782  8.5237  19.420  9.2970  -1.637787      12.61301 
1 1 1 -23 25  4  o 39.044  10.766  270.255    105.293  392.089    133.805  72.123     170.635  45.754  11.930  25.633  11.818  20.12025       16.79206 
1 1 1 -23 25  5  o 29.974  10.231  157.666    89.299   134.469    113.979  194.537    143.698  27.563  11.098  30.608  12.413  -3.044889      16.65098 
1 1 1 -23 25  6  o 25.367  8.1308  99.648     56.660   166.169    101.824  69.812     68.193   30.027  10.868  22.298  8.7094  7.728287       13.92738 
1 1 1 -23 25  7  o 60.254  5.9663  500.311    86.081   625.410    136.943  418.592    110.682  62.536  9.3089  51.110  9.2661  11.42522       13.13451 
1 1 1 -23 25  8  f 50.032  6.4900  353.982    76.931   443.858    124.461  298.413    97.866   50.874  10.433  42.249  9.7453  8.625244       14.27631 
1 1 1 -23 25  9  o 12.805  6.0361  -36.7311   48.677   -71.7109   98.615   -25.4628   55.971   17.031  8.1836  14.416  6.6890  2.614289       10.56945 
1 1 1 -23 25  10 o 26.072  8.5321  109.866    62.198   138.357    114.627  97.977     74.047   27.210  11.067  24.586  9.2032  2.623816       14.39401 
1 1 1 -23 25  11 o 34.886  9.8935  214.379    87.604   0.0000     0.0000   214.379    87.604   ?       ?       34.886  9.8935  0.000000       9.893503 
1 1 1 -23 25  12 o 25.370  10.041  112.461    91.713   0.0000     0.0000   112.461    91.713   ?       ?       25.370  10.041  0.000000       10.04135 
1 1 1 -23 25  13 o 27.660  10.455  146.713    96.058   0.0000     0.0000   146.713    96.058   ?       ?       27.660  10.455  0.000000       10.45511 
1 1 1 -23 25  14 o 18.746  8.3200  23.308     75.515   -159.7102  203.774  52.443     81.303   20.469  10.204  20.808  8.9420  -0.3382244     13.56788 
1 1 1 -23 25  15 o 12.210  5.8654  -51.3703   50.583   -54.4123   75.481   -48.8904   68.151   15.080  7.2233  14.521  6.9304  0.5589876      10.01036 
1 1 1 -23 25  16 f 16.698  7.2743  18.485     55.287   41.571     77.258   -5.7468    79.152   19.691  8.5879  17.315  8.0056  2.376278       11.74061 
1 1 1 -23 25  17 o 32.687  8.3151  178.859    66.105   183.753    92.926   173.846    94.057   29.926  10.427  28.976  10.452  0.9495564      14.76357 
1 1 1 -23 25  18 o 20.850  7.9360  68.726     55.588   43.645     76.667   96.526     80.715   19.514  8.5317  23.172  9.3361  -3.658150      12.64721 
1 1 1 -23 25  19 o 23.122  8.3970  93.231     60.854   93.046     84.551   93.431     87.655   22.691  9.3963  22.704  9.4980  -0.1289368E-01 13.36045 
1 1 1 -23 25  20 o 27.674  9.7766  156.630    81.878   90.267     118.010  218.230    113.696  22.392  10.132  29.619  11.331  -7.226484      15.20035 
1 1 1 -23 25  21 o 23.074  8.5804  97.533     64.157   73.895     96.825   116.034    85.660   21.198  9.4141  23.838  9.6131  -2.640043      13.45502 
1 1 1 -23 25  22 o 15.306  7.0445  -2.6288    60.277   -59.6630   96.494   33.868     77.190   15.982  7.7780  18.392  8.2696  -2.410563      11.35268 
1 1 1 -23 25  23 o 22.698  8.6252  97.499     65.595   57.361     96.188   132.394    89.685   20.042  9.0997  24.418  9.8402  -4.376373      13.40275 
1 1 1 -23 25  24 o 20.729  8.3750  76.187     65.145   72.692     100.953  78.680     85.276   20.698  9.3676  20.887  9.0667  -0.1883640     13.03674 
1 1 1 -23 25  25 o ?       ?       -503.8495  63.399   -463.6651  64.977   -1301.1500 289.430  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 25  26 o 13.289  6.6341  -135.6282  87.409   -133.5703  92.234   -153.7707  273.860  13.727  6.8467  ?       ?       0.000000       6.846725 
1 1 1 -23 25  27 o 11.744  5.7601  -72.3529   55.998   -26.1826   85.835   -106.5637  73.887   16.098  7.7086  12.726  6.3108  3.371860       9.962354 
1 1 1 -23 25  28 o 11.446  5.5835  -61.2650   50.565   -70.6196   72.794   -52.5426   70.291   13.629  6.6596  13.978  6.7637  -0.3495083     9.492016 
1 1 1 -23 25  29 o 19.488  8.1730  60.919     65.153   141.637    91.108   -23.5614   93.207   24.787  9.9428  16.663  7.9933  8.123978       12.75748 
1 1 1 -23 25  30 o 13.465  6.6419  -92.0040   77.986   0.0000     0.0000   -92.0040   77.986   ?       ?       13.465  6.6419  0.000000       6.641863 
1 1 1 -23 25  31 o 23.485  9.7386  127.854    91.005   -128.3075  243.245  169.546    98.132   19.291  9.7954  25.854  10.337  -6.563032      14.24111 
1 1 1 -23 25  32 o 14.559  7.1147  -60.6880   83.135   215.734    231.137  -101.7621  89.098   22.659  11.223  13.963  6.9250  8.696191       13.18763 
1 1 1 -23 25  33 o 20.758  9.2772  95.768     95.589   -334.4345  248.405  170.545    103.564  ?       ?       24.501  10.291  0.000000       10.29134 
1 1 1 -23 26  1  o 18.601  8.8091  -43.6127   105.928  -43.6127   105.928  0.0000     0.0000   18.601  8.8091  ?       ?       0.000000       8.809120 
1 1 1 -23 26  2  o 51.206  10.964  463.440    132.111  372.105    145.879  879.953    311.521  41.773  13.003  46.765  18.507  -4.991829      22.61860 
1 1 1 -23 26  3  o 25.112  10.196  101.807    97.076   116.082    127.118  81.832     150.365  26.194  11.217  25.076  11.382  1.117943       15.98030 
1 1 1 -23 26  4  o 15.950  7.1021  1.3592     55.467   129.168    102.438  -51.6580   65.976   26.918  10.626  14.451  6.8752  12.46716       12.65591 
1 1 1 -23 26  5  o 12.209  5.9317  -73.2494   55.491   -56.4317   110.225  -78.9588   64.223   18.386  8.7856  13.182  6.3994  5.203774       10.86919 
1 1 1 -23 26  6  o 22.572  8.2228  77.204     58.422   100.254    116.814  69.515     67.466   25.026  10.736  21.993  8.6417  3.032919       13.78156 
1 1 1 -23 26  7  o 35.705  8.3498  202.166    71.047   319.668    127.256  148.956    85.635   39.365  12.127  28.751  10.010  10.61447       15.72435 
1 1 1 -23 26  8  o 17.584  7.4335  26.651     54.594   21.398     107.603  28.471     63.354   20.815  9.5176  18.425  7.9051  2.389631       12.37236 
1 1 1 -23 26  9  o 8.9983  4.5261  -121.4529  44.611   -41.1340   102.765  -140.1037  49.520   18.094  8.6000  9.3083  4.6930  8.785332       9.797162 
1 1 1 -23 26  10 o 19.077  8.2277  33.859     69.314   0.0000     0.0000   33.859     69.314   ?       ?       19.077  8.2277  0.000000       8.227708 
1 1 1 -23 26  11 o 22.188  8.9611  75.168     74.554   0.0000     0.0000   75.168     74.554   ?       ?       22.188  8.9611  0.000000       8.961143 
1 1 1 -23 26  12 o 22.966  9.4052  85.767     83.492   0.0000     0.0000   85.767     83.492   ?       ?       22.966  9.4052  0.000000       9.405178 
1 1 1 -23 26  13 o 29.126  9.8050  160.601    82.000   9.5531     213.934  186.614    88.781   22.967  11.263  30.951  10.197  -7.984554      15.19306 
1 1 1 -23 26  14 o 17.594  7.4976  30.085     56.301   -25.3146   78.487   88.805     80.806   16.351  7.6944  22.858  9.2943  -6.507103      12.06603 
1 1 1 -23 26  15 o 17.556  7.4439  31.854     55.012   -5.9782    80.556   64.915     75.307   17.242  8.0086  20.921  8.7810  -3.678333      11.88461 
1 1 1 -23 26  16 o 21.594  8.0853  76.696     57.158   -18.1420   79.943   175.880    81.754   16.577  7.7897  29.947  9.7810  -13.37001      12.50387 
1 1 1 -23 26  17 o 16.164  6.9853  21.005     50.167   -44.8968   75.406   73.336     67.196   15.066  7.2174  21.134  8.5171  -6.067241      11.16392 
1 1 1 -23 26  18 o 33.166  8.1093  187.050    64.715   199.122    88.183   172.961    95.268   30.820  10.163  27.788  10.432  3.032351       14.56373 
1 1 1 -23 26  19 o 13.668  6.3852  -19.0987   52.400   -9.0998    73.083   -29.6772   75.172   16.117  7.5332  15.433  7.3413  0.6841040      10.51873 
1 1 1 -23 26  20 o 13.753  6.4560  -21.2233   54.668   18.203     81.077   -54.0924   74.028   17.757  8.1715  14.366  6.9488  3.390793       10.72659 
1 1 1 -23 26  21 o 15.980  7.2327  11.432     60.194   -77.8402   92.001   78.252     79.595   15.051  7.3822  20.878  8.9064  -5.826873      11.56809 
1 1 1 -23 26  22 o 18.853  8.0956  52.292     66.547   86.150     101.799  27.027     87.939   21.217  9.5215  18.248  8.4375  2.968847       12.72203 
1 1 1 -23 26  23 o 15.561  7.1221  5.6681     60.452   115.411    91.196   -80.3513   80.739   22.829  9.6268  13.994  6.8743  8.834932       11.82925 
1 1 1 -23 26  24 o 24.910  10.441  161.667    106.217  172.860    114.102  88.966     290.789  25.101  10.685  21.650  10.964  3.450987       15.30880 
1 1 1 -23 26  25 o 15.044  7.3612  -66.7693   89.866   -43.1373   94.061   -314.1183  304.310  15.982  7.7554  ?       ?       0.000000       7.755354 
1 1 1 -23 26  26 f 21.585  8.5821  89.286     67.275   95.732     100.296  84.014     90.707   21.521  9.5684  20.951  9.2167  0.5704231      13.28546 
1 1 1 -23 26  27 o 15.312  7.1593  -8.2151    66.108   88.614     103.791  -74.3108   85.752   21.231  9.5635  14.566  7.1408  6.664851       11.93536 
1 1 1 -23 26  28 o 11.688  5.7187  -66.4029   54.200   -8.9792    76.866   -123.1859  76.436   16.056  7.5736  12.531  6.2473  3.525536       9.817743 
1 1 1 -23 26  29 o 14.293  6.9562  -57.6314   77.176   109.938    224.601  -80.0654   82.180   21.650  10.780  14.062  6.9130  7.588370       12.80617 
1 1 1 -23 26  30 o 22.758  9.6120  120.857    91.149   -104.4589  259.029  152.700    97.377   ?       ?       24.456  10.102  0.000000       10.10205 
1 1 1 -23 26  31 o 13.881  6.7394  -48.6699   71.284   -508.3013  225.043  2.5897     75.153   ?       ?       16.084  7.5564  0.000000       7.556354 
1 1 1 -23 26  32 o 14.161  6.8934  -46.3829   75.910   -194.1001  233.939  -28.9993   80.252   ?       ?       15.018  7.2567  0.000000       7.256727 
1 1 1 -23 27  1  o 24.619  9.3993  99.911     78.130   49.827     117.791  139.256    104.401  22.531  10.165  27.262  10.738  -4.730991      14.78606 
1 1 1 -23 27  2  o 31.725  8.4193  162.406    65.885   261.131    110.008  107.188    82.272   36.500  11.280  25.155  9.6354  11.34453       14.83524 
1 1 1 -23 27  3  f 75.897  7.5366  862.975    136.956  1324.84    188.460  346.087    199.370  91.610  8.5782  33.876  14.257  57.73413       16.63850 
1 1 1 -23 27  4  o 13.776  6.5041  -38.5810   56.932   -132.5484  119.904  -11.2291   64.690   16.913  8.3217  16.058  7.3562  0.8548927      11.10696 
1 1 1 -23 27  5  o 28.174  8.8726  134.413    67.701   143.196    128.542  131.042    79.642   26.791  11.370  27.116  9.6355  -0.3243942     14.90396 
1 1 1 -23 27  6  o 46.064  7.0261  314.237    76.046   363.245    129.821  288.635    93.829   41.704  12.112  40.902  9.6163  0.8022881      15.46522 
1 1 1 -23 27  7  o 57.621  6.1259  471.297    84.334   573.544    140.111  413.209    105.606  56.282  10.650  50.021  9.0335  6.260609       13.96509 
1 1 1 -23 27  8  o 19.668  8.1384  48.435     63.358   -126.6751  191.234  70.026     67.150   20.425  10.133  21.571  8.5749  -1.145761      13.27406 
1 1 1 -23 27  9  o 21.958  8.8542  74.706     72.661   -9.0824    198.192  87.717     78.099   22.472  10.983  23.025  9.2164  -0.5529270     14.33736 
1 1 1 -23 27  10 o 22.118  8.9424  77.866     74.332   0.0000     0.0000   77.866     74.332   ?       ?       22.118  8.9424  0.000000       8.942422 
1 1 1 -23 27  11 o 23.397  9.4476  96.204     82.854   0.0000     0.0000   96.204     82.854   ?       ?       23.397  9.4476  0.000000       9.447617 
1 1 1 -23 27  12 o 16.976  7.2168  27.322     51.932   -133.4039  109.914  73.513     58.924   15.662  7.7543  21.406  8.1651  -5.744127      11.26044 
1 1 1 -23 27  13 o 35.586  7.8287  205.621    65.761   162.361    92.616   249.607    93.389   27.781  10.314  35.597  10.254  -7.815901      14.54353 
1 1 1 -23 27  14 o 20.716  8.0515  68.722     58.061   89.936     89.812   53.491     76.101   22.459  9.5165  19.937  8.6096  2.522594       12.83316 
1 1 1 -23 27  15 o 14.700  6.7243  -5.0459    53.779   45.217     79.236   -47.9776   73.230   19.414  8.5741  14.703  7.0616  4.711137       11.10773 
1 1 1 -23 27  16 o 30.847  8.2142  165.477    62.576   85.946     86.418   253.145    90.731   21.833  9.2962  35.475  10.071  -13.64225      13.70578 
1 1 1 -23 27  17 o 12.308  5.9205  -46.1883   51.956   -75.6613   77.754   -22.4123   69.836   14.070  6.8768  15.230  7.1944  -1.159846      9.952403 
1 1 1 -23 27  18 o 14.398  6.6134  -4.8882    52.774   -46.8827   74.113   38.310     75.167   14.582  7.0281  18.439  8.2348  -3.857245      10.82622 
1 1 1 -23 27  19 o 12.559  5.9886  -34.5405   50.662   -44.4652   81.571   -28.3081   64.641   15.189  7.3338  14.351  6.8209  0.8387594      10.01549 
1 1 1 -23 27  20 o 27.018  8.4846  138.638    61.957   27.887     93.799   224.362    82.522   18.420  8.5842  32.913  9.6849  -14.49310      12.94161 
1 1 1 -23 27  21 o 15.508  6.9028  16.247     52.343   29.267     88.361   9.2086     64.969   18.183  8.4251  16.022  7.3515  2.160643       11.18156 
1 1 1 -23 27  22 o 26.557  10.837  197.778    110.342  184.123    117.629  297.855    318.444  25.244  10.800  23.037  11.646  2.207314       15.88285 
1 1 1 -23 27  23 o 20.176  9.3926  68.443     111.834  22.086     119.597  391.169    315.556  18.826  9.0373  23.823  11.990  -4.996519      15.01440 
1 1 1 -23 27  24 o 13.624  6.8250  -147.3714  96.216   -137.8307  102.789  -214.8922  273.448  14.270  7.1345  ?       ?       0.000000       7.134472 
1 1 1 -23 27  25 o 13.473  6.4493  -35.3221   59.960   -14.8215   90.527   -51.3452   80.033   16.565  7.9280  14.690  7.1341  1.874835       10.66532 
1 1 1 -23 27  26 o 26.116  9.0664  141.498    70.231   152.092    102.671  132.182    96.279   24.356  10.239  23.464  9.8927  0.8919811      14.23771 
1 1 1 -23 27  27 o 23.896  8.9287  118.677    69.633   136.205    102.207  103.494    95.127   23.380  10.036  21.773  9.5118  1.607462       13.82739 
1 1 1 -23 27  28 o 29.935  10.897  237.105    102.575  381.448    267.431  212.207    111.069  24.348  12.062  27.096  10.940  -2.747801      16.28380 
1 1 1 -23 27  29 o 20.419  10.295  59.784     238.540  59.784     238.540  0.0000     0.0000   20.419  10.295  ?       ?       0.000000       10.29533 
1 1 1 -23 27  30 o 22.663  9.6351  131.667    92.582   -24.6710   262.921  153.796    98.918   ?       ?       23.630  9.9985  0.000000       9.998528 
1 1 1 -23 27  31 o 24.922  10.231  184.606    99.091   203.752    272.810  181.696    106.355  20.643  10.471  24.097  10.288  -3.453083      14.67937 
1 1 1 -23 28  1  o 43.613  7.1417  284.698    72.960   348.833    104.509  223.723    101.901  44.572  9.9189  33.458  10.920  11.11395       14.75199 
1 1 1 -23 28  2  o 18.534  7.7797  36.723     59.117   -38.9313   114.572  64.173     69.013   18.745  8.9573  21.177  8.5974  -2.431131      12.41571 
1 1 1 -23 28  3  o 19.861  8.2133  50.240     64.475   59.794     115.940  45.963     77.577   22.317  10.075  20.178  8.7034  2.139034       13.31379 
1 1 1 -23 28  4  o 36.748  8.5350  222.575    74.647   270.728    132.861  200.363    90.235   33.503  12.370  32.317  10.251  1.186386       16.06494 
1 1 1 -23 28  5  o 62.356  6.0783  554.690    90.795   679.320    144.706  473.766    116.604  62.125  9.9344  52.464  9.5100  9.660316       13.75257 
1 1 1 -23 28  6  o 33.280  10.296  215.104    91.622   447.032    248.266  178.536    98.580   32.245  14.632  29.329  10.682  2.915291       18.11631 
1 1 1 -23 28  7  o 11.088  5.4555  -83.1439   51.536   -75.8977   196.939  -83.6766   53.397   20.983  10.387  11.335  5.5723  9.648751       11.78746 
1 1 1 -23 28  8  o 25.705  9.4268  123.589    76.967   310.599    205.355  93.025     83.019   29.565  13.372  23.078  9.4065  6.486603       16.34925 
1 1 1 -23 28  9  o 18.311  8.0407  30.270     68.760   0.0000     0.0000   30.270     68.760   ?       ?       18.311  8.0407  0.000000       8.040739 
1 1 1 -23 28  10 o 20.746  8.6983  64.994     73.766   0.0000     0.0000   64.994     73.766   ?       ?       20.746  8.6983  0.000000       8.698318 
1 1 1 -23 28  11 o 14.985  6.9983  -18.5433   62.870   0.0000     0.0000   -18.5433   62.870   ?       ?       14.985  6.9983  0.000000       6.998292 
1 1 1 -23 28  12 o 24.420  8.8678  111.048    67.869   195.210    116.842  68.192     83.377   27.875  11.232  20.894  9.0174  6.981401       14.40397 
1 1 1 -23 28  13 o 23.336  8.1204  95.830     56.355   130.973    87.232   70.656     73.830   24.959  9.8201  20.765  8.7041  4.193090       13.12233 
1 1 1 -23 28  14 o 37.406  7.9921  235.969    70.336   282.784    101.082  192.023    97.934   36.068  10.745  28.644  10.611  7.424252       15.10175 
1 1 1 -23 28  15 o 24.587  9.0544  120.361    71.111   -73.7741   98.638   330.459    102.613  15.700  7.6885  39.811  10.479  -24.11142      12.99740 
1 1 1 -23 28  16 o 18.289  7.5991  48.291     55.571   58.181     78.010   38.102     79.181   19.581  8.5823  18.498  8.3408  1.082981       11.96764 
1 1 1 -23 28  17 o 15.840  7.0367  18.166     54.130   77.178     86.340   -20.0489   69.480   20.624  9.0344  15.068  7.1355  5.555362       11.51245 
1 1 1 -23 28  18 o 24.802  8.5647  120.713    62.632   158.926    91.610   87.175     85.824   25.587  10.065  21.047  9.1161  4.539816       13.57954 
1 1 1 -23 28  19 o 19.918  7.9713  70.198     58.413   125.401    90.609   30.940     76.412   23.156  9.6693  17.688  8.0617  5.467457       12.58915 
1 1 1 -23 28  20 o 28.301  8.6525  156.938    64.925   194.936    96.961   126.055    87.415   27.424  10.471  23.231  9.5813  4.192677       14.19293 
1 1 1 -23 28  21 o 25.206  10.239  166.419    97.953   161.448    101.420  235.429    377.871  24.640  10.254  ?       ?       0.000000       10.25440 
1 1 1 -23 28  22 o 21.992  9.8960  118.775    110.794  154.472    119.717  -94.2482   292.454  23.334  10.409  ?       ?       0.000000       10.40881 
1 1 1 -23 28  23 o 16.279  7.8961  -31.5197   97.234   -53.2818   102.256  173.845    314.125  15.969  7.8222  21.684  11.023  -5.714898      13.51610 
1 1 1 -23 28  24 o 10.130  5.0923  -127.3309  56.021   -136.7079  91.510   -121.7102  70.849   13.418  6.7120  11.918  5.9531  1.500472       8.971603 
1 1 1 -23 28  25 o 15.117  6.9827  1.2778     60.000   17.567     91.749   -10.8939   79.310   17.659  8.3126  15.944  7.5715  1.714455       11.24400 
1 1 1 -23 28  26 o 12.801  6.3355  -93.4964   73.125   39.412     232.301  -108.1149  77.041   20.358  10.251  12.798  6.3630  7.559942       12.06567 
1 1 1 -23 28  27 o 15.330  7.3574  -23.8819   79.175   72.471     242.486  -35.3799   83.766   20.521  10.351  15.253  7.3811  5.268490       12.71311 
1 1 1 -23 28  28 o 20.906  10.566  149.375    260.507  149.375    260.507  0.0000     0.0000   20.906  10.566  ?       ?       0.000000       10.56585 
1 1 1 -23 28  29 o 11.666  5.8356  -115.7710  69.174   -215.6451  217.901  -104.5777  72.948   ?       ?       12.276  6.1176  0.000000       6.117625 
1 1 1 -23 28  30 o 16.582  7.8038  23.156     80.756   -276.5233  252.856  57.195     85.219   ?       ?       18.134  8.3572  0.000000       8.357216 
1 1 1 -23 29  1  o 9.7250  4.8931  -136.3599  52.353   -269.8653  75.038   -9.7456    73.076   ?       ?       16.591  7.6786  0.000000       7.678574 
1 1 1 -23 29  2  o 15.052  7.0088  -19.8716   62.317   100.017    101.937  -91.4139   78.745   23.599  10.073  14.090  6.8936  9.509705       12.20644 
1 1 1 -23 29  3  o 14.409  6.6081  -10.7541   52.402   -154.1256  110.989  30.373     59.445   15.353  7.6338  17.789  7.6454  -2.435929      10.80399 
1 1 1 -23 29  4  o 20.836  8.8282  62.870     77.285   -22.9148   227.477  74.064     82.173   22.195  11.018  21.687  9.1413  0.5078926      14.31617 
1 1 1 -23 29  5  o 17.663  7.8530  21.448     67.554   -107.8675  227.884  33.906     70.733   20.968  10.504  18.626  8.1677  2.342079       13.30557 
1 1 1 -23 29  6  o 22.625  9.0633  90.029     75.591   -10.9551   236.113  101.561    79.790   22.205  11.056  23.471  9.3419  -1.266600      14.47412 
1 1 1 -23 29  7  o 15.510  7.3633  -32.8398   74.903   399.413    239.439  -79.7283   78.860   29.447  13.721  14.274  6.9656  15.17294       15.38746 
1 1 1 -23 29  8  o 16.040  7.2112  8.8643     58.683   -23.4844   138.971  15.884     64.738   19.424  9.4258  16.948  7.6004  2.475723       12.10836 
1 1 1 -23 29  9  o 24.272  9.1385  113.176    73.216   0.0000     0.0000   113.176    73.216   ?       ?       24.272  9.1385  0.000000       9.138497 
1 1 1 -23 29  10 f 16.289  7.5318  -1.3082    70.077   0.0000     0.0000   -1.3082    70.077   ?       ?       16.289  7.5318  0.000000       7.531835 
1 1 1 -23 29  11 o 16.318  7.2877  16.227     58.874   37.497     104.678  6.3860     71.204   19.638  9.1238  16.668  7.6657  2.969746       11.91666 
1 1 1 -23 29  12 o 15.895  7.0515  16.486     54.183   51.795     89.190   -4.1669    68.213   19.663  8.8604  15.848  7.3638  3.814543       11.52098 
1 1 1 -23 29  13 o 21.306  9.6026  85.232     104.812  96.171     113.956  25.155     267.054  21.792  9.8984  21.395  10.800  0.3971252      14.65017 
1 1 1 -23 29  14 f 16.725  7.1472  32.530     51.417   30.122     82.478   34.061     65.759   18.114  8.3011  17.585  7.7863  0.5295658      11.38135 
1 1 1 -23 29  15 o 44.102  7.0041  313.495    72.444   396.696    106.383  241.550    98.926   43.797  10.201  31.330  10.767  12.46756       14.83170 
1 1 1 -23 29  16 o 27.442  8.1707  140.287    58.456   123.763    86.170   154.374    79.564   23.212  9.5361  26.136  9.5846  -2.923729      13.52040 
1 1 1 -23 29  17 o 20.155  7.9587  73.879     57.489   71.541     86.022   75.766     77.282   19.893  8.8523  20.119  8.6822  -0.2253971     12.39935 
1 1 1 -23 29  18 o 21.877  8.4037  95.345     62.693   15.076     95.141   156.948    83.347   17.581  8.3324  25.645  9.7279  -8.064203      12.80865 
1 1 1 -23 29  19 o 13.620  6.6957  -74.1658   77.094   -74.4516   78.850   -67.9631   367.342  13.757  6.7647  ?       ?       0.000000       6.764688 
1 1 1 -23 29  20 o 18.792  8.7618  47.641     97.899   16.400     101.991  413.690    349.116  17.794  8.4883  22.752  11.571  -4.958456      14.35040 
1 1 1 -23 29  21 o 16.510  7.9011  -7.2942    89.870   -4.1211    92.554   -59.6532   375.965  16.745  8.0149  ?       ?       0.000000       8.014896 
1 1 1 -23 29  22 o 11.680  5.6951  -56.6045   52.421   -130.6351  84.825   -10.8605   66.678   12.923  6.4640  14.954  7.0537  -2.030878      9.567524 
1 1 1 -23 29  23 o 26.110  9.1496  147.682    71.605   255.406    113.688  76.851     92.188   29.270  11.297  20.063  9.0276  9.206520       14.46100 
1 1 1 -23 29  24 o 24.285  8.7116  122.657    65.248   55.298     102.681  168.277    84.502   19.203  8.9600  26.378  9.8398  -7.174831      13.30800 
1 1 1 -23 29  25 o 20.396  8.6019  83.131     72.827   -234.5838  223.204  120.984    77.044   ?       ?       23.045  9.1774  0.000000       9.177354 
1 1 1 -23 29  26 o 10.438  5.2463  -127.0763  59.331   -20.3672   216.333  -135.7554  61.696   19.035  9.6211  10.518  5.2945  8.517310       10.98166 
1 1 1 -23 29  27 o 15.086  7.2491  -19.2999   77.370   -8.9885    227.207  -20.6524   82.288   18.927  9.5959  15.338  7.3958  3.588897       12.11525 
1 1 1 -23 29  28 o 26.006  10.336  203.344    97.539   -52.5220   266.322  242.982    104.823  ?       ?       27.753  10.810  0.000000       10.80959 
1 1 1 -23 30  1  o 21.192  9.0736  70.189     83.157   185.741    184.664  40.796     93.135   25.562  11.956  19.885  8.9987  5.677393       14.96440 
1 1 1 -23 30  2  o 17.564  8.0384  10.723     77.000   -38.7469   167.441  23.991     86.713   20.121  9.8870  18.760  8.5649  1.360514       13.08088 
1 1 1 -23 30  3  o 22.118  8.9171  86.118     73.684   -8.9293    229.438  97.049     77.806   21.786  10.855  22.921  9.1904  -1.135246      14.22331 
1 1 1 -23 30  4  o 35.898  10.071  255.440    91.284   226.952    244.840  260.039    98.377   25.209  12.295  35.078  10.635  -9.868822      16.25664 
1 1 1 -23 30  5  o 24.574  9.7030  124.102    85.446   97.764     238.494  127.981    91.521   23.038  11.409  24.614  9.9328  -1.575386      15.12710 
1 1 1 -23 30  6  o 14.540  6.8420  -23.0698   62.055   174.135    127.145  -84.7335   71.098   25.763  11.127  13.213  6.4824  12.54964       12.87759 
1 1 1 -23 30  7  o 16.973  7.4308  26.571     58.331   -98.9878   118.263  66.937     67.056   16.440  8.1218  20.270  8.3788  -3.830719      11.66911 
1 1 1 -23 30  8  o 15.602  7.3281  -14.3213   70.608   0.0000     0.0000   -14.3213   70.608   ?       ?       15.602  7.3281  0.000000       7.328051 
1 1 1 -23 30  9  o 9.7307  4.9028  -135.6571  53.565   0.0000     0.0000   -135.6571  53.565   ?       ?       9.7307  4.9028  0.000000       4.902834 
1 1 1 -23 30  10 o 25.280  8.4535  120.938    60.949   105.203    107.944  128.303    73.847   22.148  9.8813  24.866  9.2137  -2.717985      13.51052 
1 1 1 -23 30  11 o 19.594  7.9994  64.371     60.163   120.011    92.222   23.145     79.382   23.074  9.7027  17.621  8.1002  5.453491       12.63951 
1 1 1 -23 30  12 o 14.891  6.6942  9.5307     50.552   -68.7099   82.265   57.000     64.078   14.368  7.0333  18.945  8.0334  -4.576387      10.67727 
1 1 1 -23 30  13 o 25.243  8.4499  124.696    60.898   89.661     89.742   154.597    82.908   20.964  9.1964  25.762  9.7191  -4.797617      13.38039 
1 1 1 -23 30  14 o 29.702  9.0843  181.094    71.558   297.698    99.210   54.652     103.311  35.620  10.653  19.295  8.9976  16.32502       13.94444 
1 1 1 -23 30  15 o 28.985  8.8352  169.850    67.764   134.160    92.906   210.422    99.055   23.173  9.7412  27.914  10.601  -4.741043      14.39703 
1 1 1 -23 30  16 o 15.249  6.9766  9.4496     57.927   -7.1237    83.101   25.114     80.791   16.108  7.6779  17.282  8.0247  -1.174107      11.10618 
1 1 1 -23 30  17 o 26.471  8.6535  143.617    63.987   158.338    96.345   131.999    85.589   24.250  10.035  23.225  9.5182  1.025583       13.83113 
1 1 1 -23 30  18 o 26.550  10.451  196.731    98.830   211.677    102.211  -17.9812   387.414  27.205  10.653  ?       ?       0.000000       10.65253 
1 1 1 -23 30  19 o 19.252  8.8616  64.627     95.419   74.012     98.503   -78.2235   384.313  19.674  9.0363  ?       ?       0.000000       9.036289 
1 1 1 -23 30  20 o 19.722  8.9585  75.207     93.360   100.559    96.232   -330.7091  385.068  20.920  9.3320  ?       ?       0.000000       9.332046 
1 1 1 -23 30  21 o 25.381  8.6566  133.560    63.926   100.679    93.022   162.984    87.996   21.031  9.2892  25.300  9.8903  -4.268944      13.56860 
1 1 1 -23 30  22 o 23.055  8.6495  112.221    65.476   191.876    101.637  55.712     85.606   26.000  10.476  18.779  8.5489  7.220938       13.52157 
1 1 1 -23 30  23 o 23.422  8.6149  115.669    64.348   58.921     101.731  153.516    83.080   19.089  8.9108  24.968  9.6515  -5.878729      13.13594 
1 1 1 -23 30  24 o 28.901  10.230  213.518    89.697   144.809    238.889  224.794    96.778   20.731  10.433  28.674  10.562  -7.942999      14.84645 
1 1 1 -23 30  25 o 14.859  7.1132  -17.1243   72.951   -11.6888   220.653  -17.7913   77.298   18.799  9.5234  15.114  7.2580  3.685371       11.97385 
1 1 1 -23 30  26 o 14.797  7.0359  -8.0955    68.906   -12.0378   246.694  -7.7619    71.762   ?       ?       14.991  7.1427  0.000000       7.142662 
1 1 1 -23 30  27 o 17.408  8.0065  48.178     77.695   -151.9020  248.891  69.780     81.782   ?       ?       18.486  8.3922  0.000000       8.392201 
1 1 1 -23 31  1  o 31.362  10.337  213.615    91.231   555.876    201.885  125.787    102.269  36.433  14.735  23.869  10.137  12.56404       17.88495 
1 1 1 -23 31  2  f 21.084  9.1313  76.844     86.101   326.415    191.606  13.698     96.380   28.199  12.819  18.387  8.6122  9.811872       15.44305 
1 1 1 -23 31  3  o 15.576  7.3380  -17.0834   71.753   -239.3449  202.460  14.844     76.734   17.899  9.0730  17.372  7.9779  0.5266438      12.08165 
1 1 1 -23 31  4  o 15.459  7.0999  0.4729     60.787   -128.8031  122.822  42.411     69.955   15.980  7.9594  18.485  8.1139  -2.504740      11.36607 
1 1 1 -23 31  5  o 11.613  5.6376  -54.7926   49.849   -220.1568  119.708  -20.1024   54.828   14.271  7.2072  13.770  6.4642  0.5008945      9.681401 
1 1 1 -23 31  6  o 8.9032  4.4161  -70.4442   36.262   -392.9012  111.748  -32.4928   38.337   ?       ?       10.912  5.2052  0.000000       5.205204 
1 1 1 -23 31  7  o 11.486  5.6591  -79.7898   56.079   0.0000     0.0000   -79.7898   56.079   ?       ?       11.486  5.6591  0.000000       5.659139 
1 1 1 -23 31  8  o 19.602  8.8079  60.317     87.404   0.0000     0.0000   60.317     87.404   ?       ?       19.602  8.8079  0.000000       8.807927 
1 1 1 -23 31  9  o 30.849  10.015  213.889    85.761   0.0000     0.0000   213.889    85.761   ?       ?       30.849  10.015  0.000000       10.01499 
1 1 1 -23 31  10 o 12.130  5.8998  -54.9822   55.286   8.8146     112.338  -75.3729   63.510   18.077  8.6981  12.365  6.0786  5.711860       10.61156 
1 1 1 -23 31  11 o 30.550  8.2431  174.266    62.515   245.149    90.358   109.181    86.583   32.449  10.254  21.924  9.3192  10.52498       13.85599 
1 1 1 -23 31  12 o 19.710  8.0745  71.899     61.562   128.185    85.394   10.989     88.831   23.070  9.4872  17.055  8.0738  6.015694       12.45762 
1 1 1 -23 31  13 o 11.881  5.8330  -67.6763   57.865   -117.3340  82.651   -19.9359   81.040   12.947  6.4613  15.476  7.4319  -2.529903      9.847919 
1 1 1 -23 31  14 o 15.624  7.1395  14.841     60.424   -35.6419   83.713   69.750     87.306   15.080  7.3172  19.352  8.7391  -4.272408      11.39796 
1 1 1 -23 31  15 o 16.727  7.5450  30.795     64.860   10.858     87.147   55.553     97.112   16.779  7.9590  18.758  8.7393  -1.978445      11.82034 
1 1 1 -23 31  16 o 14.035  6.9594  -88.3571   89.798   -95.2942   93.257   -0.0001    332.821  14.113  7.0141  ?       ?       0.000000       7.014144 
1 1 1 -23 31  17 o 19.937  9.0618  85.088     95.714   66.411     98.786   371.441    386.797  19.142  8.8831  ?       ?       0.000000       8.883131 
1 1 1 -23 31  18 o 26.150  10.476  200.012    100.990  205.690    104.497  119.679    393.085  26.134  10.590  ?       ?       0.000000       10.58994 
1 1 1 -23 31  19 o 41.395  7.9019  307.111    76.473   359.482    109.507  257.259    106.841  37.324  11.199  29.465  11.050  7.858263       15.73280 
1 1 1 -23 31  20 o 43.642  7.4099  327.268    75.660   386.785    107.158  268.104    106.840  40.565  10.724  30.370  11.111  10.19510       15.44226 
1 1 1 -23 31  21 o 21.415  8.3163  94.521     61.903   104.032    90.752   86.244     84.654   20.991  9.2271  20.125  8.8765  0.8661461      12.80355 
1 1 1 -23 31  22 o 19.079  8.5767  68.486     82.985   589.669    247.482  2.4613     88.084   26.560  12.811  16.428  7.8510  10.13187       15.02560 
1 1 1 -23 31  23 o 12.077  5.8998  -55.0033   57.002   -646.0306  206.513  -6.2599    59.306   ?       ?       14.280  6.7099  0.000000       6.709885 
1 1 1 -23 31  24 o 18.207  8.1018  59.865     72.052   -164.4329  243.880  81.315     75.419   ?       ?       19.476  8.4898  0.000000       8.489830 
1 1 1 -23 31  25 o 20.759  8.8793  108.887    79.497   -18.1341   252.388  122.877    83.760   ?       ?       21.417  9.1364  0.000000       9.136425 
1 1 1 -23 31  26 o 18.468  8.2557  75.236     75.745   -71.5945   235.449  92.187     79.998   ?       ?       19.323  8.5704  0.000000       8.570374 
1 1 1 -23 32  1  o 19.235  8.4350  55.560     75.440   -128.8709  186.265  91.751     82.511   18.257  9.1916  21.540  9.1239  -3.282604      12.95107 
1 1 1 -23 32  2  o 20.207  8.2083  72.041     62.945   74.172     95.051   70.377     84.003   20.461  9.1901  20.169  8.8714  0.2915497      12.77344 
1 1 1 -23 32  3  o 11.154  5.5355  -95.0016   57.294   -42.2665   101.738  -119.4931  69.333   16.409  7.9860  11.879  5.9269  4.529151       9.945089 
1 1 1 -23 32  4  o 18.665  9.0591  6.2740     128.527  -13.4891   295.005  10.904     142.792  ?       ?       19.123  9.3408  0.000000       9.340830 
1 1 1 -23 32  5  o 41.996  9.6577  353.466    96.358   675.216    157.218  159.891    121.946  50.910  12.754  23.647  10.530  27.26297       16.53915 
1 1 1 -23 32  6  o 19.660  8.3298  69.146     68.803   131.867    143.050  50.270     78.476   21.953  10.348  18.629  8.3601  3.323978       13.30308 
1 1 1 -23 32  7  o 16.830  7.8098  17.328     76.329   0.0000     0.0000   17.328     76.329   ?       ?       16.830  7.8098  0.000000       7.809844 
1 1 1 -23 32  8  o 14.446  6.8850  -22.0588   66.786   0.0000     0.0000   -22.0588   66.786   ?       ?       14.446  6.8850  0.000000       6.884984 
1 1 1 -23 32  9  o 11.659  5.7729  -86.2658   60.965   70.744     121.948  -138.5821  70.393   19.687  9.3605  11.387  5.7224  8.299368       10.97113 
1 1 1 -23 32  10 o 13.246  6.5488  -83.9186   77.386   -59.1054   82.548   -263.8830  222.311  14.302  7.0101  ?       ?       0.000000       7.010148 
1 1 1 -23 32  11 o 14.413  6.7355  -4.1063    58.381   13.953     81.228   -23.4035   83.967   16.601  7.8167  15.404  7.4381  1.197188       10.79008 
1 1 1 -23 32  12 o 16.516  7.3874  31.805     60.741   -20.8540   84.038   89.405     87.892   15.436  7.4506  20.126  8.9522  -4.689689      11.64700 
1 1 1 -23 32  13 o 16.611  7.4478  33.047     62.133   -20.6456   89.218   83.611     86.580   15.682  7.5961  19.773  8.8337  -4.090667      11.65052 
1 1 1 -23 32  14 o 16.070  7.6082  6.4730     78.923   17.265     83.462   -84.7264   242.628  16.688  7.8777  ?       ?       0.000000       7.877748 
1 1 1 -23 32  15 o 16.413  7.8872  0.7086     91.627   4.2448     98.834   -20.9216   244.438  16.798  8.1011  ?       ?       0.000000       8.101063 
1 1 1 -23 32  16 o 18.873  8.8394  64.616     101.506  76.996     107.817  -31.9417   301.105  19.350  9.0779  ?       ?       0.000000       9.077909 
1 1 1 -23 32  17 o 26.713  10.872  232.468    110.700  240.128    115.234  140.845    398.528  26.626  10.993  ?       ?       0.000000       10.99311 
1 1 1 -23 32  18 o 51.622  6.9009  444.532    84.273   531.456    111.744  329.891    128.330  51.232  9.3330  30.290  11.913  20.94190       15.13366 
1 1 1 -23 32  19 o 15.272  7.0870  8.2693     62.856   -3.7408    83.265   24.180     95.837   15.919  7.6148  17.373  8.2713  -1.454696      11.24276 
1 1 1 -23 32  20 o 13.132  6.2004  -16.0129   51.756   -99.4360   84.191   34.665     65.620   13.273  6.6073  16.786  7.5787  -3.513144      10.05448 
1 1 1 -23 32  21 o 17.359  7.8201  44.456     69.416   -83.5594   216.141  59.178     73.299   ?       ?       18.253  8.1432  0.000000       8.143165 
1 1 1 -23 32  22 o 11.686  5.8076  -88.3775   63.889   -57.2439   212.374  -91.4755   66.993   17.793  9.0461  11.906  5.9217  5.886466       10.81199 
1 1 1 -23 32  23 o 10.656  5.3432  -109.7955  59.678   103.014    231.995  -124.8753  61.756   19.009  9.6437  10.540  5.3048  8.468622       11.00646 
1 1 1 -23 32  24 o 18.757  8.4865  82.892     82.782   163.528    233.479  71.297     88.534   19.084  9.6809  18.169  8.4238  0.9153347      12.83273 
1 1 1 -23 33  1  o 28.767  9.0555  171.548    70.529   201.037    101.430  143.943    98.136   27.046  10.606  23.582  9.9676  3.463987       14.55459 
1 1 1 -23 33  2  o 18.128  7.8067  50.499     62.219   57.749     90.399   43.973     85.765   19.081  8.7245  18.360  8.4326  0.7212276      12.13361 
1 1 1 -23 33  3  o 21.024  8.3424  88.053     63.450   31.008     100.108  126.357    82.031   18.153  8.5869  23.125  9.3785  -4.971802      12.71581 
1 1 1 -23 33  4  o 15.175  7.0581  2.0773     62.920   -26.6596   112.623  15.117     75.864   16.836  8.2387  16.557  7.7174  0.2787457      11.28874 
1 1 1 -23 33  5  f 21.892  8.7747  104.810    70.895   172.444    134.186  78.620     83.501   22.762  10.489  19.811  8.7729  2.951654       13.67410 
1 1 1 -23 33  6  o 13.388  6.4608  -37.8351   63.125   0.0000     0.0000   -37.8351   63.125   ?       ?       13.388  6.4608  0.000000       6.460822 
1 1 1 -23 33  7  o 22.418  9.2928  124.161    82.823   0.0000     0.0000   124.161    82.823   ?       ?       22.418  9.2928  0.000000       9.292850 
1 1 1 -23 33  8  o 17.997  8.2017  49.701     79.076   89.180     123.957  22.611     102.683  19.790  9.4176  17.514  8.3985  2.275839       12.61849 
1 1 1 -23 33  9  o 13.569  6.6772  -65.8277   77.286   -70.7607   82.406   -29.7830   222.751  13.816  6.8169  18.505  9.3944  -4.689576      11.60709 
1 1 1 -23 33  10 o 22.000  8.6831  110.058    68.399   148.603    88.866   54.036     107.135  23.316  9.6424  18.444  8.7707  4.872475       13.03457 
1 1 1 -23 33  11 o 15.152  7.1142  3.4338     66.444   10.896     89.614   -5.6769    99.019   16.550  7.9120  16.390  7.9541  0.1601563      11.21904 
1 1 1 -23 33  12 o 23.340  8.6969  123.532    65.976   147.342    91.382   97.608     95.354   22.913  9.6479  20.045  9.0851  2.867735       13.25225 
1 1 1 -23 33  13 o 16.827  8.0623  15.871     94.184   -25.5844   100.737  303.747    265.460  15.884  7.7769  21.229  10.723  -5.344984      13.24596 
1 1 1 -23 33  14 o 15.053  7.4031  -47.0558   94.541   -21.4713   102.879  -185.9754  239.728  16.073  7.8671  ?       ?       0.000000       7.867069 
1 1 1 -23 33  15 o 30.580  11.374  301.937    112.748  301.142    123.746  305.825    273.582  28.557  11.541  21.162  10.708  7.394400       15.74316 
1 1 1 -23 33  16 o 36.727  8.6104  266.309    75.397   261.606    103.230  271.687    110.384  29.494  10.901  28.945  11.143  0.5492001      15.58803 
1 1 1 -23 33  17 o 36.282  9.0553  272.601    79.466   185.730    103.879  395.161    123.385  24.269  10.256  35.270  12.027  -11.00111      15.80604 
1 1 1 -23 33  18 o 18.919  8.1470  70.778     67.756   59.669     91.843   84.044     100.367  18.384  8.5429  19.388  8.9822  -1.004673      12.39601 
1 1 1 -23 33  19 o 18.071  8.4702  53.952     93.512   -226.8575  177.267  162.225    110.073  ?       ?       22.337  9.9711  0.000000       9.971135 
1 1 1 -23 33  20 o 16.536  7.8484  21.840     84.999   -47.6860   174.954  43.321     97.247   17.225  8.7010  17.589  8.3619  -0.3637314     12.06765 
1 1 1 -23 33  21 o 13.820  6.7735  -44.8918   77.028   -167.1012  183.788  -18.8511   84.838   ?       ?       15.027  7.3089  0.000000       7.308859 
1 1 1 -23 33  22 o 17.172  7.9234  51.318     76.940   91.794     225.135  45.965     81.870   18.373  9.3387  16.999  7.9544  1.373804       12.26721 
1 1 1 -23 33  23 o 10.769  5.3753  -87.2208   57.293   -30.4381   233.709  -90.8515   59.096   ?       ?       10.861  5.4269  0.000000       5.426886 
1 1 1 -23 34  1  o 20.216  8.3687  84.186     67.040   82.656     96.804   85.596     92.932   19.731  9.0241  19.889  8.9958  -0.1579456     12.74204 
1 1 1 -23 34  2  o 11.572  5.6916  -67.2386   55.920   -42.5049   87.672   -84.2023   72.607   14.960  7.3098  12.737  6.3054  2.223073       9.653535 
1 1 1 -23 34  3  f 13.761  6.5768  -22.6303   61.818   0.3879     91.045   -42.3191   84.204   16.366  7.8639  14.712  7.1832  1.654200       10.65077 
1 1 1 -23 34  4  o 18.519  8.0104  63.270     66.091   -64.9959   120.236  118.805    79.116   15.909  7.9160  21.978  9.0942  -6.068488      12.05685 
1 1 1 -23 34  5  o 13.893  6.8016  -51.3780   77.018   0.0000     0.0000   -51.3780   77.018   ?       ?       13.893  6.8016  0.000000       6.801637 
1 1 1 -23 34  6  o 19.370  9.0510  84.979     105.382  0.0000     0.0000   84.979     105.382  ?       ?       19.370  9.0510  0.000000       9.050998 
1 1 1 -23 34  7  o 17.638  8.4463  36.716     103.061  0.0000     0.0000   36.716     103.061  ?       ?       17.638  8.4463  0.000000       8.446271 
1 1 1 -23 34  8  o 17.757  8.1060  52.338     77.651   144.849    116.201  -22.3058   104.378  21.262  9.7839  16.004  7.8524  5.257849       12.54535 
1 1 1 -23 34  9  o 11.074  5.5295  -99.4534   60.835   -154.9637  79.427   -20.6753   94.621   11.658  5.8857  15.622  7.6246  -3.963861      9.632042 
1 1 1 -23 34  10 o 15.710  7.3370  16.054     69.112   11.349     93.687   21.671     102.367  16.496  7.9387  17.053  8.2290  -0.5570259     11.43411 
1 1 1 -23 34  11 o 17.757  8.3292  49.913     90.706   120.364    97.677   -391.4268  244.478  20.742  9.3164  ?       ?       0.000000       9.316384 
1 1 1 -23 34  12 o 17.768  8.3699  49.247     93.316   51.647     100.700  34.654     248.275  17.948  8.5257  ?       ?       0.000000       8.525747 
1 1 1 -23 34  13 o 13.480  6.7348  -102.5714  90.882   -84.8432   98.361   -206.0290  237.615  14.284  7.1157  ?       ?       0.000000       7.115700 
1 1 1 -23 34  14 o 19.316  8.1439  78.082     65.246   66.806     89.916   90.623     94.824   18.489  8.5430  19.502  8.9238  -1.013330      12.35386 
1 1 1 -23 34  15 o 15.154  7.0521  10.559     62.951   8.9271     88.209   12.253     89.866   16.261  7.7940  16.431  7.8733  -0.1701889     11.07857 
1 1 1 -23 34  16 o 19.554  8.2976  82.994     68.435   242.401    98.612   -65.0999   95.049   28.275  10.613  14.528  7.1962  13.74631       12.82304 
1 1 1 -23 34  17 o 26.047  9.0927  162.202    70.686   174.979    93.318   145.002    108.270  24.012  9.9011  21.343  9.6765  2.668930       13.84432 
1 1 1 -23 34  18 o 20.556  9.1322  117.080    91.187   -0.0007    182.581  155.990    105.254  17.683  8.9270  21.787  9.7362  -4.103884      13.20928 
1 1 1 -23 34  19 o 14.381  7.0182  -29.1464   80.087   -161.2041  167.547  9.9618     91.178   ?       ?       16.046  7.7488  0.000000       7.748835 
1 1 1 -23 34  20 o 15.183  7.3510  -2.8178    83.304   -139.3354  188.500  30.315     92.864   ?       ?       16.523  7.9401  0.000000       7.940050 
1 1 1 -23 34  21 o 24.666  10.361  235.535    104.991  307.103    201.829  208.984    122.933  20.345  10.145  21.618  9.9889  -1.272974      14.23696 
1 1 1 -23 35  1  o 23.147  8.7642  125.675    67.573   116.321    94.449   135.484    96.717   20.747  9.2508  21.635  9.5175  -0.8874474     13.27251 
1 1 1 -23 35  2  o 19.786  8.2345  84.781     65.401   144.385    96.962   35.030     88.587   22.024  9.6127  17.163  8.1061  4.860807       12.57430 
1 1 1 -23 35  3  o 17.871  7.7445  58.449     62.008   58.050     90.521   58.803     85.115   18.042  8.4164  18.029  8.3238  0.1324654E-01  11.83730 
1 1 1 -23 35  4  o 20.329  8.4606  95.440     69.043   10.859     122.963  134.385    83.437   17.138  8.4312  22.175  9.2709  -5.037884      12.53137 
1 1 1 -23 35  5  o 16.626  7.7993  30.568     79.557   0.0000     0.0000   30.568     79.557   ?       ?       16.626  7.7993  0.000000       7.799303 
1 1 1 -23 35  6  o 18.152  8.5882  62.886     100.235  0.0000     0.0000   62.886     100.235  ?       ?       18.152  8.5882  0.000000       8.588236 
1 1 1 -23 35  7  o 15.521  7.4066  5.2094     77.799   -28.1892   120.597  29.017     101.820  16.180  8.0303  17.060  8.2262  -0.8794708     11.49594 
1 1 1 -23 35  8  o 21.722  8.7732  117.558    71.464   60.970     94.348   193.725    109.459  17.996  8.4582  23.299  10.190  -5.303411      13.24315 
1 1 1 -23 35  9  o 17.508  8.3965  44.287     102.715  -5.3425    113.365  271.815    242.732  16.429  8.0851  20.390  10.293  -3.960575      13.08901 
1 1 1 -23 35  10 o 16.687  8.0198  22.926     94.792   19.391     102.784  43.046     245.193  16.779  8.1339  ?       ?       0.000000       8.133852 
1 1 1 -23 35  11 o 15.228  7.4141  -17.5678   87.932   -36.9636   95.543   89.821     224.815  15.063  7.4147  18.779  9.5234  -3.715699      12.06950 
1 1 1 -23 35  12 o 13.433  6.5258  -35.5886   67.098   29.847     88.632   -123.4361  102.695  16.804  7.9869  13.704  6.8896  3.099929       10.54783 
1 1 1 -23 35  13 o 14.070  6.7502  -16.7920   66.513   -50.6324   86.585   31.924     103.888  14.290  7.0388  17.209  8.3010  -2.919587      10.88350 
1 1 1 -23 35  14 o 11.126  5.5276  -82.2649   57.739   -181.8398  78.793   33.222     84.855   11.082  5.6221  16.811  7.9380  -5.728467      9.727243 
1 1 1 -23 35  15 o 19.940  8.3282  91.915     67.236   106.280    95.375   77.724     94.800   19.781  9.0121  18.576  8.6478  1.205460       12.49010 
1 1 1 -23 35  16 o 16.938  7.9760  41.061     84.586   35.197     170.335  42.980     97.451   17.773  8.9277  17.214  8.2354  0.5590973      12.14601 
1 1 1 -23 35  17 o 22.742  9.6991  170.150    94.357   393.860    187.643  94.438     109.163  23.255  11.202  18.718  8.8872  4.536661       14.29935 
1 1 1 -23 35  18 o 13.503  6.6731  -52.9127   80.045   31.277     178.119  -74.2174   89.602   17.309  8.7471  13.565  6.7631  3.744126       11.05668 
1 1 1 -23 35  19 f 11.999  6.0191  -101.9518  76.131   26.351     176.633  -131.2253  84.370   16.929  8.5701  12.032  6.0736  4.896832       10.50403 
1 1 1 -23 35  20 o 13.244  6.5705  -51.3643   80.452   -45.0897   182.357  -52.8808   89.649   ?       ?       13.674  6.8088  0.000000       6.808843 
1 1 1 -23 36  1  o 14.484  6.8413  0.9931     63.121   139.129    92.951   -117.2258  85.989   21.431  9.3814  12.696  6.3729  8.735017       11.34131 
1 1 1 -23 36  2  o 13.379  6.4124  -18.9358   59.682   -20.2834   92.158   -17.9624   78.325   15.223  7.4502  14.631  7.0946  0.5919104      10.28782 
1 1 1 -23 36  3  o 13.877  6.5223  -1.3322    56.101   31.486     84.831   -26.8411   74.790   16.578  7.8603  14.131  6.8706  2.446741       10.43983 
1 1 1 -23 36  4  o 19.554  8.9026  103.748    92.875   0.0000     0.0000   103.748    92.875   ?       ?       19.554  8.9026  0.000000       8.902639 
1 1 1 -23 36  5  o 28.639  11.011  286.211    107.686  0.0000     0.0000   286.211    107.686  ?       ?       28.639  11.011  0.000000       11.01083 
1 1 1 -23 36  6  o ?       ?       165.252    254.818  0.0000     0.0000   165.252    254.818  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 36  7  o 20.538  9.8126  171.510    137.404  136.423    162.804  258.382    256.173  19.261  9.5180  19.685  10.001  -0.4243546     13.80636 
1 1 1 -23 36  8  o 16.654  8.0192  27.434     95.937   -18.4126   104.285  279.881    244.714  15.669  7.7195  20.031  10.135  -4.362413      12.73977 
1 1 1 -23 36  9  o 16.184  7.9004  5.2670     101.724  -11.9994   111.788  88.419     245.319  16.055  7.9252  ?       ?       0.000000       7.925208 
1 1 1 -23 36  10 o 17.993  8.0203  65.676     70.935   -8.5162    94.153   163.075    107.877  15.597  7.6111  21.624  9.7443  -6.026693      12.36448 
1 1 1 -23 36  11 o 20.437  8.5730  103.853    71.715   107.421    94.009   98.886     110.915  19.711  8.9674  19.042  9.0166  0.6690369      12.71664 
1 1 1 -23 36  12 o 18.049  8.0495  67.422     71.553   160.176    95.118   -53.4911   108.600  22.293  9.6264  15.082  7.5073  7.211617       12.20766 
1 1 1 -23 36  13 o 21.386  8.7866  120.077    73.168   88.085     96.033   164.348    112.969  18.702  8.7058  21.197  9.7141  -2.494133      13.04439 
1 1 1 -23 36  14 o 16.721  8.1376  29.483     105.576  -74.6606   185.023  79.762     128.560  ?       ?       18.117  8.8522  0.000000       8.852164 
1 1 1 -23 36  15 f 15.934  7.7798  10.243     98.773   10.914     175.018  9.9297     119.648  17.053  8.6223  16.372  8.1030  0.6813240      11.83229 
1 1 1 -23 36  16 o 17.247  8.1148  62.465     87.237   -39.2377   187.928  90.400     98.492   ?       ?       18.210  8.5843  0.000000       8.584273 
1 1 1 -23 36  17 o 18.957  8.6788  110.939    89.853   347.496    182.805  35.581     103.177  21.073  10.350  16.273  7.9468  4.799833       13.04880 
1 1 1 -23 36  18 o 13.156  6.5255  -48.5136   79.157   -73.6221   179.583  -42.4590   88.186   ?       ?       13.739  6.8269  0.000000       6.826910 
1 1 1 -23 37  1  o 129.758 5.7195  2685.31    180.077  2737.76    247.407  2626.23    262.608  111.728 9.2081  101.315 10.851  10.41304       14.23160 
1 1 1 -23 37  2  o 29.820  8.9637  206.230    70.108   247.025    100.646  167.777    97.714   26.633  10.526  22.106  9.6493  4.526546       14.27964 
1 1 1 -23 37  3  o 19.896  8.3781  98.542     68.914   116.922    99.207   81.403     95.800   19.593  9.0249  18.252  8.5607  1.341558       12.43929 
1 1 1 -23 37  4  o ?       ?       2.7833     275.416  0.0000     0.0000   2.7833     275.416  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 37  5  o ?       ?       380.394    278.285  0.0000     0.0000   380.394    278.285  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 37  6  o 15.924  7.9425  -23.8254   124.078  38.205     140.252  -247.2100  266.153  17.274  8.5877  ?       ?       0.000000       8.587662 
1 1 1 -23 37  7  o 15.772  7.7356  -2.7829    101.021  -1.0970    110.561  -11.3068   248.597  16.066  7.9216  ?       ?       0.000000       7.921648 
1 1 1 -23 37  8  o 33.202  9.5712  266.976    81.338   322.949    106.233  187.671    126.450  31.212  11.124  21.156  9.8951  10.05538       14.88842 
1 1 1 -23 37  9  o 11.350  5.6613  -88.8555   63.093   -64.6090   83.027   -121.9928  97.062   13.461  6.6775  13.152  6.6234  0.3081093      9.405269 
1 1 1 -23 37  10 o 17.316  7.8746  58.463     72.399   74.312     98.121   39.524     107.265  17.957  8.4964  16.942  8.2351  1.014975       11.83245 
1 1 1 -23 37  11 o 11.728  5.8199  -73.2716   63.279   -109.6796  81.547   -18.1709   100.321  12.342  6.1967  15.277  7.5348  -2.934489      9.755626 
1 1 1 -23 37  12 o 14.967  7.3832  -22.2434   96.476   -92.3273   189.005  2.4508     112.192  ?       ?       15.969  7.8934  0.000000       7.893354 
1 1 1 -23 37  13 o 20.017  9.2925  149.160    108.232  164.498    211.550  143.722    125.966  18.320  9.2850  19.205  9.2336  -0.8856525     13.09472 
1 1 1 -23 37  14 f 15.731  7.7152  15.673     100.457  234.508    199.262  -58.9005   116.321  18.925  9.5251  14.670  7.3701  4.254503       12.04354 
1 1 1 -23 37  15 o 15.772  7.7283  25.865     100.076  -0.0001    202.408  34.234     115.133  ?       ?       16.151  7.9858  0.000000       7.985756 
1 1 1 -23 37  16 o 18.216  8.7034  125.639    108.116  -141.7912  214.365  216.872    125.207  ?       ?       20.232  9.5803  0.000000       9.580256 
1 1 1 -23 38  1  f 17.991  8.3979  80.247     90.342   99.033     93.831   -158.3607  334.404  18.695  8.6695  ?       ?       0.000000       8.669480 
1 1 1 -23 38  2  o 18.399  8.7455  97.514     106.277  133.933    111.188  -287.7136  361.615  19.504  9.1719  ?       ?       0.000000       9.171944 
1 1 1 -23 38  3  o ?       ?       278.223    350.874  0.0000     0.0000   278.223    350.874  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 38  4  o ?       ?       -891.5820  217.876  0.0000     0.0000   -891.5820  217.876  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 38  5  o 15.166  7.6051  -53.0101   120.959  -53.2582   138.612  -52.2177   247.683  15.615  7.8702  ?       ?       0.000000       7.870227 
1 1 1 -23 38  6  o 10.797  5.3662  -75.0636   54.620   -138.4077  92.922   -41.6225   67.516   12.524  6.3282  12.929  6.3376  -0.4040861     8.956093 
1 1 1 -23 38  7  o 16.053  7.2945  40.676     61.974   -7.1247    95.370   75.616     81.536   15.265  7.4929  17.889  8.2183  -2.623903      11.12135 
1 1 1 -23 38  8  o 13.715  6.5445  -5.2898    60.727   -37.7550   99.062   14.255     76.863   14.644  7.2694  15.247  7.2996  -0.6038561     10.30185 
1 1 1 -23 38  9  o 16.948  7.7663  57.771     72.184   -6.2745    98.633   131.631    105.922  15.277  7.5225  19.402  9.0687  -4.125161      11.78256 
1 1 1 -23 38  10 o 17.281  8.3140  70.157     102.563  -195.2065  197.295  168.425    120.061  ?       ?       19.920  9.4172  0.000000       9.417184 
1 1 1 -23 38  11 o 18.377  8.7053  110.272    103.588  -55.8332   191.312  179.170    123.212  ?       ?       19.880  9.4396  0.000000       9.439576 
1 1 1 -23 38  12 o 12.615  6.3616  -109.1697  91.257   -388.6068  183.627  -17.5191   105.163  ?       ?       14.869  7.3990  0.000000       7.399037 
1 1 1 -23 38  13 o 14.141  7.0483  -33.4696   97.073   287.454    193.119  -141.9698  112.290  18.857  9.4765  13.015  6.6135  5.842150       11.55607 
1 1 1 -23 38  14 o 16.058  7.8619  56.490     102.950  57.124     207.604  56.283     118.553  ?       ?       16.074  7.9748  0.000000       7.974848 
1 1 1 -23 39  1  o 22.898  10.095  221.761    109.353  245.703    115.104  0.0006     350.310  23.403  10.335  ?       ?       0.000000       10.33519 
1 1 1 -23 39  2  o ?       ?       608.466    402.702  0.0000     0.0000   608.466    402.702  ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 39  3  o ?       ?       -157.6390  47.821   0.0000     0.0000   -157.6390  47.821   ?       ?       ?       ?       0.000000       ?        
1 1 1 -23 39  4  o 19.246  8.8469  120.750    94.663   0.0000     0.0000   120.750    94.663   ?       ?       19.246  8.8469  0.000000       8.846861 
1 1 1 -23 39  5  o 18.896  8.2632  95.302     71.948   131.562    122.767  76.334     88.795   18.671  9.0103  17.516  8.2241  1.154480       12.19918 
1 1 1 -23 39  6  o 15.325  7.1500  30.350     65.366   92.942     103.658  -10.9697   84.221   17.830  8.5200  14.498  7.1009  3.332449       11.09119 
1 1 1 -23 39  7  o 22.404  8.8069  143.677    70.100   169.399    105.617  123.425    93.718   20.399  9.3650  19.127  8.7960  1.272108       12.84800 
1 1 1 -23 39  8  o 15.244  7.3632  20.952     82.440   113.622    250.551  9.7009     87.301   ?       ?       15.028  7.3325  0.000000       7.332471 
1 1 1 -23 39  9  o 13.842  6.8032  -19.4188   79.436   26.354     250.408  -24.5404   83.763   ?       ?       13.892  6.8582  0.000000       6.858170 
1 1 1 -23 39  10 o 14.718  7.3004  -4.8541    99.086   -61.8960   177.152  21.116     119.532  ?       ?       15.578  7.7738  0.000000       7.773840 
1 1 1 -23 39  11 o 16.939  8.1918  91.628     102.759  266.759    201.633  30.183     119.432  17.925  9.0828  15.534  7.7549  2.391044       11.94300 
1 1 1 -23 39  12 o 16.425  8.0094  83.663     103.737  -33.7472   206.009  123.549    120.072  ?       ?       17.120  8.4043  0.000000       8.404259 
1 1 1 -23 40  1  o 14.403  6.8703  10.774     66.779   101.465    90.227   -99.0850   99.305   18.222  8.4677  13.201  6.6544  5.021058       10.76956 
1 1 1 -23 40  2  o 20.119  9.3893  179.614    112.847  0.0000     0.0000   179.614    112.847  ?       ?       20.119  9.3893  0.000000       9.389321 
1 1 1 -23 40  3  o 21.836  9.7261  206.348    104.117  0.0000     0.0000   206.348    104.117  ?       ?       21.836  9.7261  0.000000       9.726081 
1 1 1 -23 40  4  o 11.994  5.9188  -48.4198   62.194   -53.7626   112.381  -46.0610   74.671   14.303  7.1930  12.892  6.3844  1.410986       9.617640 
1 1 1 -23 40  5  o 13.450  6.4373  -0.2455    59.686   -108.2491  99.620   60.233     74.547   12.912  6.5266  16.432  7.6562  -3.519995      10.06054 
1 1 1 -23 40  6  o 14.329  7.0616  -6.3367    87.498   255.611    264.267  -38.5886   92.729   ?       ?       13.778  6.8709  0.000000       6.870865 
1 1 1 -23 40  7  o 10.978  5.5196  -95.8540   65.942   -279.9229  257.238  -82.9077   68.221   ?       ?       11.431  5.7291  0.000000       5.729149 
1 1 1 -23 40  8  o 16.382  7.7711  71.335     83.100   -141.4517  269.214  93.745     87.366   ?       ?       17.146  8.0836  0.000000       8.083647 
1 1 1 -23 40  9  o 16.650  7.9401  87.664     89.106   190.748    281.067  76.146     93.953   ?       ?       16.201  7.8341  0.000000       7.834143 
1 1 1 -23 40  10 f 18.286  8.5239  143.400    92.573   61.234     287.416  152.911    97.784   ?       ?       18.323  8.6115  0.000000       8.611541 
1 1 1 -23 41  1  o 15.330  7.5385  28.538     97.910   0.0000     0.0000   28.538     97.910   ?       ?       15.330  7.5385  0.000000       7.538537 
1 1 1 -23 41  2  o 15.454  7.6186  35.099     102.128  0.0000     0.0000   35.099     102.128  ?       ?       15.454  7.6186  0.000000       7.618557 
1 1 1 -23 41  3  o 20.624  9.7038  254.600    124.740  0.0000     0.0000   254.600    124.740  ?       ?       20.624  9.7038  0.000000       9.703815 
1 1 1 -23 41  4  o 14.818  7.1036  32.012     73.348   -399.4983  254.556  71.082     76.597   ?       ?       16.365  7.6692  0.000000       7.669241 
1 1 1 -23 41  5  o 15.348  7.3793  48.748     80.468   -10.3645   244.687  55.917     85.208   ?       ?       15.588  7.5186  0.000000       7.518588 
1 1 1 -23 41  6  f 11.535  5.8134  -89.7644   75.595   -142.6903  255.957  -84.7066   79.125   ?       ?       11.832  5.9612  0.000000       5.961217 
1 1 1 -23 41  7  o 14.115  6.9517  16.253     84.332   -94.3059   266.648  28.540     88.895   ?       ?       14.495  7.1384  0.000000       7.138404 
1 1 1 -23 42  1  o 14.983  7.4499  37.381     105.710  0.0000     0.0000   37.381     105.710  ?       ?       14.983  7.4499  0.000000       7.449882 
1 1 1 -23 42  2  o 16.119  7.9428  98.177     110.573  0.0000     0.0000   98.177     110.573  ?       ?       16.119  7.9428  0.000000       7.942827 
1 1 1 -23 42  3  o 14.888  7.4075  45.738     105.250  118.696    245.270  29.270     116.524  ?       ?       14.646  7.3602  0.000000       7.360218 
1 1 1 -23 42  4  o 16.037  7.8019  99.144     96.828   42.072     194.549  117.936    111.636  ?       ?       16.158  7.9655  0.000000       7.965519 
1 1 1 -23 42  5  o 10.480  5.3139  -112.7723  69.755   58.926     257.660  -126.3519  72.461   ?       ?       10.442  5.3065  0.000000       5.306454 
1 1 1 -23 43  1  o 14.882  7.4315  74.972     109.994  0.0000     0.0000   74.972     109.994  ?       ?       14.882  7.4315  0.000000       7.431514 
1 1 1 -22 -46 28 o 13.059  6.1652  23.137     51.137   150.205    121.148  -4.4112    56.409   15.895  7.9149  12.107  5.9043  3.787846       9.874526 
1 1 1 -22 -46 29 o 9.6989  4.8346  -54.9719   45.688   19.867     116.138  -68.6746   49.695   13.930  7.0413  9.7112  4.8705  4.218340       8.561616 
1 1 1 -22 -46 30 o 15.698  7.1350  71.291     59.336   -138.6208  128.552  128.120    66.888   ?       ?       18.622  8.0567  0.000000       8.056720 
1 1 1 -22 -46 31 o 18.001  7.9947  122.570    69.832   142.675    136.717  115.473    81.227   15.682  7.8925  16.771  7.8716  -1.089373      11.14690 
1 1 1 -22 -46 32 o 16.194  7.8591  117.295    96.658   21.405     186.144  152.696    113.102  ?       ?       16.509  8.1150  0.000000       8.115014 
1 1 1 -22 -46 33 o 16.139  7.8721  118.684    100.418  385.501    196.653  24.574     116.792  ?       ?       14.162  7.1482  0.000000       7.148191 
1 1 1 -22 -46 34 o 15.261  7.5119  81.280     98.017   210.041    183.985  30.254     115.822  ?       ?       14.251  7.1840  0.000000       7.183980 
1 1 1 -22 -46 35 o 16.975  7.1836  80.221     51.069   78.226     126.966  80.606     55.781   14.951  7.5352  16.620  7.2715  -1.668236      10.47159 
1 1 1 -22 -46 36 o 20.015  7.7866  119.012    54.343   39.763     130.476  135.644    59.774   14.419  7.3063  20.521  8.1114  -6.101687      10.91682 
1 1 1 -22 -46 37 o 15.724  6.9393  65.098     51.805   120.990    127.713  54.090     56.677   15.542  7.7965  14.875  6.8404  0.6668720      10.37194 
1 1 1 -22 -46 38 o 14.922  6.7073  53.334     50.731   103.430    124.188  43.300     55.580   15.265  7.6618  14.269  6.6358  0.9956665      10.13595 
1 1 1 -22 -46 39 o 10.694  5.2651  -31.5628   48.255   -62.1235   123.015  -26.0052   52.459   ?       ?       11.199  5.5090  0.000000       5.509044 
1 1 1 -22 -46 40 o 15.347  6.8370  61.569     51.469   120.346    126.551  49.920     56.339   15.350  7.7087  14.516  6.7265  0.8345385      10.23085 
1 1 1 -22 -45 23 o 11.784  5.6782  -5.7002    48.292   23.379     126.230  -10.6861   52.268   14.293  7.2366  11.833  5.7512  2.459564       9.243578 
1 1 1 -22 -45 24 o 12.626  5.9605  11.374     47.787   -70.7453   133.934  23.353     51.154   ?       ?       13.376  6.2680  0.000000       6.267988 
1 1 1 -22 -45 25 o 14.294  7.0350  28.508     85.914   266.064    199.103  -25.8444   95.237   ?       ?       13.313  6.6858  0.000000       6.685759 
1 1 1 -22 -45 26 o 16.013  7.8753  97.858     106.967  -22.0159   232.046  130.204    120.538  ?       ?       16.445  8.1382  0.000000       8.138184 
1 1 1 -22 -45 27 o 15.813  7.7531  82.039     101.186  207.116    219.393  48.245     114.039  ?       ?       15.050  7.5228  0.000000       7.522840 
1 1 1 -22 -45 28 o 11.971  5.8951  -29.2321   60.623   2.3459     207.691  -32.1731   63.384   ?       ?       12.052  5.9527  0.000000       5.952716 
1 1 1 -22 -45 29 o 12.844  6.2539  -6.4827    62.606   5.7441     122.922  -10.7653   72.749   14.558  7.3464  13.149  6.4720  1.409151       9.790634 
1 1 1 -22 -45 30 o 17.935  8.0614  108.826    73.284   159.736    132.691  86.481     87.907   17.076  8.4660  16.358  7.8246  0.7182159      11.52815 
1 1 1 -22 -45 31 o 13.952  6.7366  17.187     68.851   -47.2164   127.493  43.703     81.806   14.006  7.1099  15.038  7.2814  -1.031895      10.17690 
1 1 1 -22 -45 32 o 13.677  6.5210  16.492     60.032   73.038     117.627  -3.4237    69.808   15.750  7.8357  13.318  6.5108  2.431744       10.18762 
1 1 1 -22 -45 33 o 16.121  7.4836  69.054     70.195   144.624    181.783  55.811     76.097   ?       ?       15.489  7.3731  0.000000       7.373070 
1 1 1 -22 -45 34 o 16.104  7.4701  68.395     69.740   -162.3901  182.318  107.950    75.480   ?       ?       17.846  8.0863  0.000000       8.086321 
1 1 1 -22 -45 35 o 14.250  6.8407  24.756     68.546   30.872     183.894  23.769     73.869   ?       ?       14.325  6.9322  0.000000       6.932217 
1 1 1 -22 -45 36 o 13.670  6.3505  22.973     50.697   10.518     126.890  25.338     55.302   14.766  7.4529  13.938  6.5268  0.8281803      9.906817 
1 1 1 -22 -45 37 o 18.080  7.4288  85.681     52.305   124.260    129.327  78.137     57.191   16.543  8.2277  17.097  7.4234  -0.5545483     11.08163 
1 1 1 -22 -45 38 f 10.738  5.2635  -34.4525   46.537   -59.7918   121.950  -30.1335   50.347   13.714  6.9611  11.239  5.5016  2.475321       8.872698 
1 1 1 -22 -45 39 o 14.690  6.6117  41.297     49.494   -112.9171  127.617  68.599     53.697   ?       ?       16.511  7.1811  0.000000       7.181062 
1 1 1 -22 -45 40 o 11.371  5.5078  -18.1348   46.908   -179.6449  120.272  10.841     50.943   ?       ?       12.949  6.1254  0.000000       6.125379 
1 1 1 -22 -45 41 o 12.659  5.9989  7.4620     49.273   -17.5674   123.506  12.200     53.734   14.125  7.1522  13.098  6.2234  1.027369       9.480732 
1 1 1 -22 -45 42 o 14.198  6.5240  35.732     51.413   -6.0678    125.401  44.178     56.369   14.217  7.1998  14.704  6.7837  -0.4869385     9.892184 
1 1 1 -22 -45 43 o 15.968  7.1877  68.251     58.510   336.855    145.053  16.055     63.942   19.409  9.4659  13.484  6.5061  5.925260       11.48615 
1 1 1 -22 -45 44 o 17.581  7.5562  93.746     58.069   69.783     145.728  98.269     63.313   14.982  7.6051  17.431  7.6831  -2.449330      10.81055 
1 1 1 -22 -44 19 o 22.186  8.2499  146.077    59.309   0.0000     0.0000   146.077    59.309   ?       ?       22.186  8.2499  0.000000       8.249933 
1 1 1 -22 -44 20 o 13.920  6.3697  30.819     48.321   0.0000     0.0000   30.819     48.321   ?       ?       13.920  6.3697  0.000000       6.369657 
1 1 1 -22 -44 21 o 14.766  6.5507  42.070     46.762   -203.1398  170.902  61.914     48.617   ?       ?       16.265  6.9502  0.000000       6.950170 
1 1 1 -22 -44 22 o 17.305  7.2228  74.147     50.527   -12.4902   130.255  89.492     54.819   14.556  7.3677  18.259  7.5640  -3.703243      10.55924 
1 1 1 -22 -44 23 o 19.835  7.7862  105.289    54.719   47.826     141.377  115.414    59.345   15.537  7.8449  20.117  8.0405  -4.580421      11.23349 
1 1 1 -22 -44 24 o 17.385  7.4335  76.717     55.677   -9.3858    131.302  95.593     61.478   14.811  7.4871  18.394  7.8366  -3.582680      10.83828 
1 1 1 -22 -44 25 f 11.909  5.8478  -33.8686   58.249   -117.7577  130.721  -13.0850   65.066   ?       ?       13.015  6.3457  0.000000       6.345734 
1 1 1 -22 -44 26 o 18.892  8.8814  158.464    104.125  393.125    220.512  91.129     118.123  18.547  9.4086  16.614  8.1909  1.933395       12.47453 
1 1 1 -22 -44 27 o 14.484  7.2002  -5.8338    98.539   -126.2939  204.420  30.630     112.468  ?       ?       15.442  7.6791  0.000000       7.679114 
1 1 1 -22 -44 28 o 20.181  9.0977  168.097    94.137   -39.8247   191.646  234.219    108.074  ?       ?       21.806  9.7964  0.000000       9.796420 
1 1 1 -22 -44 29 o 13.736  6.6048  4.4861     64.507   -184.5041  167.130  37.569     69.926   ?       ?       15.220  7.1925  0.000000       7.192524 
1 1 1 -22 -44 30 o 12.900  6.3159  -23.1514   66.430   36.715     116.361  -52.0981   80.912   15.703  7.8092  12.922  6.4399  2.781132       10.12203 
1 1 1 -22 -44 31 o 11.006  5.3842  -37.4257   47.998   -36.3235   118.669  -37.6413   52.482   14.518  7.3129  11.422  5.5968  3.096048       9.208856 
1 1 1 -22 -44 32 o 17.623  7.2296  70.979     49.440   54.002     123.697  74.207     53.936   16.100  8.0139  17.633  7.4178  -1.533096      10.92000 
1 1 1 -22 -44 33 f 10.053  4.9529  -48.4178   42.936   -39.1575   113.976  -49.9492   46.350   14.383  7.2346  10.393  5.1252  3.990300       8.866030 
1 1 1 -22 -44 34 o 13.416  6.4989  -6.6209    65.329   -94.1596   177.019  7.1818     70.291   ?       ?       14.118  6.8145  0.000000       6.814456 
1 1 1 -22 -44 35 o 15.217  7.1784  36.393     69.083   -135.2500  184.890  64.244     74.478   ?       ?       16.459  7.6634  0.000000       7.663429 
1 1 1 -22 -44 36 o 16.024  7.4842  54.539     71.922   21.184     174.522  61.363     78.936   ?       ?       16.292  7.6818  0.000000       7.681802 
1 1 1 -22 -44 37 o 11.384  5.5216  -26.4152   47.533   -42.4231   120.878  -23.4871   51.698   14.468  7.2991  11.872  5.7583  2.595994       9.297052 
1 1 1 -22 -44 38 o 19.531  7.7318  96.703     54.385   315.287    126.589  47.227     60.226   23.042  10.453  15.608  7.1305  7.433953       12.65353 
1 1 1 -22 -44 39 o 14.091  6.4989  23.867     51.678   -39.8409   127.057  36.495     56.568   14.582  7.3706  14.942  6.8574  -0.3601122     10.06725 
1 1 1 -22 -44 40 o 14.793  6.6816  36.179     51.065   -13.1745   129.197  45.317     55.592   14.939  7.5376  15.415  6.9663  -0.4765644     10.26376 
1 1 1 -22 -44 41 o 13.527  6.3309  14.563     51.903   206.580    137.996  -17.0769   56.016   18.626  9.1158  12.371  5.9987  6.255550       10.91245 
1 1 1 -22 -44 42 o 16.643  7.2888  65.800     56.163   22.739     146.143  73.262     60.835   15.443  7.8153  16.976  7.5044  -1.533120      10.83493 
1 1 1 -22 -44 43 o 12.331  5.9228  -8.3507    51.526   91.073     142.661  -23.2661   55.256   16.243  8.1604  12.012  5.8549  4.230492       10.04348 
1 1 1 -22 -44 44 o 12.629  6.0639  -3.7958    53.934   -61.7769   139.449  6.4032     58.486   ?       ?       13.296  6.3660  0.000000       6.365969 
1 1 1 -22 -44 45 o 11.777  5.7412  -22.6612   53.195   -13.4502   135.458  -24.3407   57.841   14.587  7.3969  12.045  5.8964  2.541831       9.459439 
1 1 1 -22 -44 46 o 12.708  6.3202  -33.6580   76.300   22.728     192.771  -44.1324   83.085   ?       ?       12.767  6.3875  0.000000       6.387542 
1 1 1 -22 -43 17 o 17.258  7.6932  85.313     65.278   0.0000     0.0000   85.313     65.278   ?       ?       17.258  7.6932  0.000000       7.693231 
1 1 1 -22 -43 18 o 17.027  7.6458  78.515     65.745   0.0000     0.0000   78.515     65.745   ?       ?       17.027  7.6458  0.000000       7.645776 
1 1 1 -22 -43 19 o 13.916  6.4971  20.140     54.125   0.0000     0.0000   20.140     54.125   ?       ?       13.916  6.4971  0.000000       6.497088 
1 1 1 -22 -43 20 o 12.897  6.0602  4.9717     48.377   -51.1035   124.315  14.979     52.517   14.397  7.2781  13.656  6.3838  0.7406578      9.681107 
1 1 1 -22 -43 21 o 13.474  6.3905  6.1300     56.160   115.006    126.177  -20.7672   62.715   17.354  8.5381  12.803  6.2398  4.550389       10.57521 
1 1 1 -22 -43 22 o 16.099  7.2267  52.782     58.681   191.343    131.112  18.074     65.621   19.132  9.2524  14.462  6.8735  4.669487       11.52616 
1 1 1 -22 -43 23 o 12.406  6.0339  -25.0063   57.829   -41.7316   126.749  -20.6094   64.988   14.818  7.4753  13.038  6.3536  1.779924       9.810581 
1 1 1 -22 -43 24 o 15.460  7.1681  38.621     64.108   -73.2233   131.650  73.387     73.399   14.564  7.3754  17.191  7.8606  -2.627164      10.77894 
1 1 1 -22 -43 25 o 13.252  6.4059  -12.2181   62.670   -161.3907  128.217  34.608     71.836   ?       ?       15.455  7.2997  0.000000       7.299667 
1 1 1 -22 -43 26 o 14.193  6.8062  5.6648     67.445   -127.4151  133.246  51.506     78.203   14.038  7.1399  16.261  7.6606  -2.222720      10.47202 
1 1 1 -22 -43 27 o 19.447  8.8245  129.950    90.283   304.102    186.637  76.749     103.156  19.662  9.7962  17.114  8.2591  2.548155       12.81317 
1 1 1 -22 -43 28 o 18.232  8.4244  99.618     87.448   -60.1095   173.525  153.992    101.244  ?       ?       19.910  9.1509  0.000000       9.150949 
1 1 1 -22 -43 29 o 19.766  9.2085  158.904    107.803  0.0000     0.0000   158.904    107.803  ?       ?       19.766  9.2085  0.000000       9.208468 
1 1 1 -22 -43 30 f 14.421  6.4765  26.626     47.193   -94.3763   154.115  39.147     49.575   ?       ?       15.377  6.7870  0.000000       6.786973 
1 1 1 -22 -43 31 o 18.826  7.5368  81.233     52.239   74.531     122.573  82.720     57.746   17.064  8.3996  18.576  7.7347  -1.511404      11.41836 
1 1 1 -22 -43 32 o 15.636  6.7859  42.739     47.744   64.594     119.681  38.603     52.066   16.862  8.2999  15.396  6.8664  1.465473       10.77198 
1 1 1 -22 -43 33 o 10.782  5.2563  -37.9485   44.600   100.874    113.865  -63.1073   48.473   17.785  8.6064  10.339  5.1242  7.446279       10.01637 
1 1 1 -22 -43 34 o 14.018  6.4325  18.252     49.749   -41.2338   118.010  31.109     54.863   14.857  7.4586  14.996  6.8333  -0.1394701     10.11554 
1 1 1 -22 -43 35 o 12.810  6.2815  -35.2239   66.476   -36.4445   196.666  -35.0664   70.633   ?       ?       13.082  6.4267  0.000000       6.426740 
1 1 1 -22 -43 36 o 18.267  8.2212  91.226     76.506   128.909    193.896  84.278     83.261   17.544  8.8914  17.739  8.2050  -0.1955452     12.09871 
1 1 1 -22 -43 37 o 17.533  8.0501  77.846     78.074   242.193    212.035  52.069     83.974   18.474  9.3562  16.413  7.7933  2.061037       12.17681 
1 1 1 -22 -43 38 o 28.245  8.0568  174.446    57.924   246.491    130.385  156.732    64.654   21.357  10.008  24.523  8.6851  -3.166054      13.25069 
1 1 1 -22 -43 39 o 12.992  6.1245  -0.2309    50.122   46.521     123.558  -9.4396    54.836   16.447  8.1568  12.903  6.1742  3.543903       10.23005 
1 1 1 -22 -43 40 o 9.9237  4.9262  -64.4569   45.481   -75.2971   134.757  -63.0634   48.316   14.718  7.4546  10.299  5.1064  4.419800       9.035851 
1 1 1 -22 -43 41 o 12.471  5.9263  -7.9765    48.753   -110.2371  134.659  7.4495     52.301   14.269  7.2495  13.493  6.3277  0.7754622      9.622672 
1 1 1 -22 -43 42 o 9.1695  4.6281  -107.7097  48.935   78.872     132.576  -137.1395  52.653   16.918  8.4005  8.9946  4.5663  7.923829       9.561404 
1 1 1 -22 -43 43 o 17.113  7.4353  66.372     57.455   -64.7796   143.386  91.458     62.709   14.886  7.5551  18.684  7.9363  -3.798071      10.95736 
1 1 1 -22 -43 44 o 12.584  6.0573  -13.4494   54.599   39.761     139.888  -23.0123   59.303   16.105  8.0900  12.555  6.1073  3.550766       10.13645 
1 1 1 -22 -43 45 o 16.055  7.1702  53.084     56.989   21.155     133.565  60.190     63.013   15.675  7.8778  16.428  7.4210  -0.7528706     10.82266 
1 1 1 -22 -43 46 o 13.534  6.3342  13.272     51.957   70.946     112.052  -2.5247    58.643   16.371  8.0532  13.169  6.3232  3.202808       10.23896 
1 1 1 -22 -43 47 o 13.718  6.6413  2.6526     67.993   -111.0774  138.126  39.024     78.112   ?       ?       15.248  7.3153  0.000000       7.315269 
1 1 1 -22 -43 48 o 15.709  7.4194  55.770     74.207   147.615    146.769  24.228     86.011   17.001  8.5034  14.743  7.2113  2.257864       11.14944 
1 1 1 -22 -42 14 o 14.811  6.8467  36.508     57.848   0.0000     0.0000   36.508     57.848   ?       ?       14.811  6.8467  0.000000       6.846745 
1 1 1 -22 -42 15 o 19.423  9.1446  179.687    111.104  0.0000     0.0000   179.687    111.104  ?       ?       19.423  9.1446  0.000000       9.144567 
1 1 1 -22 -42 16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -42 17 o 16.422  7.9006  58.235     92.601   0.0000     0.0000   58.235     92.601   ?       ?       16.422  7.9006  0.000000       7.900636 
1 1 1 -22 -42 18 o 17.576  7.5543  71.295     58.041   0.0000     0.0000   71.295     58.041   ?       ?       17.576  7.5543  0.000000       7.554285 
1 1 1 -22 -42 19 o 15.129  6.7776  34.873     51.341   151.206    124.823  11.185     56.326   18.874  9.1026  13.973  6.5571  4.900835       11.21844 
1 1 1 -22 -42 20 o 20.889  8.3397  115.318    63.771   84.553     131.593  124.760    72.903   17.352  8.5715  20.679  8.6574  -3.327248      12.18285 
1 1 1 -22 -42 21 o 16.322  7.3142  49.844     59.841   143.570    127.967  23.612     67.699   18.818  9.1108  15.119  7.1242  3.699368       11.56545 
1 1 1 -22 -42 22 o 18.566  7.9318  83.677     63.298   151.960    130.306  62.588     72.417   19.050  9.2157  17.067  7.8055  1.983027       12.07704 
1 1 1 -22 -42 23 f 13.538  6.5349  -13.7307   64.668   -211.9971  131.670  49.299     74.239   ?       ?       16.473  7.6634  0.000000       7.663382 
1 1 1 -22 -42 24 o 13.857  6.6647  -7.3177    65.767   -183.9646  128.897  54.854     76.469   ?       ?       16.762  7.7913  0.000000       7.791256 
1 1 1 -22 -42 25 o 16.985  7.6864  59.118     67.948   -20.6704   133.464  87.034     78.945   15.771  7.9195  18.300  8.2829  -2.529028      11.45973 
1 1 1 -22 -42 26 o 13.954  6.6561  -0.9283    62.682   120.000    123.714  -42.6931   72.704   18.538  8.9707  13.153  6.4734  5.384320       11.06246 
1 1 1 -22 -42 27 o 13.190  6.3455  -15.3424   59.726   -64.8504   118.236  1.6182     69.204   14.738  7.4075  14.402  6.9031  0.3361645      10.12543 
1 1 1 -22 -42 28 o 27.820  10.566  270.350    98.398   380.857    185.964  227.381    115.962  21.853  10.671  22.597  10.150  -0.7445011     14.72730 
1 1 1 -22 -42 29 o 15.262  7.0616  27.997     61.745   -134.3315  159.203  56.738     66.989   ?       ?       16.892  7.6392  0.000000       7.639228 
1 1 1 -22 -42 30 o 19.616  8.5748  108.591    77.410   383.096    171.365  38.216     86.767   22.886  10.941  16.270  7.7801  6.616213       13.42531 
1 1 1 -22 -42 31 o 21.143  7.7484  100.148    51.987   6.5789     118.521  122.439    57.849   16.015  7.9504  22.707  8.1960  -6.691828      11.41862 
1 1 1 -22 -42 32 o 13.309  6.1668  5.9884     47.343   94.516     122.920  -9.4313    51.300   17.959  8.7487  12.814  6.0862  5.145334       10.65753 
1 1 1 -22 -42 33 o 9.5636  4.7388  -62.1609   41.359   -192.6770  108.972  -40.1957   44.704   ?       ?       10.804  5.2660  0.000000       5.265963 
1 1 1 -22 -42 34 o 26.811  8.0274  154.819    56.308   31.632     126.739  185.115    62.852   16.629  8.2493  28.753  8.4497  -12.12472      11.80880 
1 1 1 -22 -42 35 o 21.164  7.9208  103.475    54.844   125.204    119.844  97.719     61.682   18.837  9.0436  19.935  8.1147  -1.097527      12.15055 
1 1 1 -22 -42 36 o 28.862  10.277  258.902    90.651   558.310    210.948  191.087    100.394  23.672  11.516  22.482  9.7978  1.190275       15.12006 
1 1 1 -22 -42 37 o 13.177  6.3843  -22.7385   63.106   -202.7987  185.234  0.9043     67.121   ?       ?       14.306  6.8414  0.000000       6.841390 
1 1 1 -22 -42 38 o 17.641  8.0770  71.650     77.851   99.238     198.071  66.610     84.665   17.744  8.9924  17.365  8.1137  0.3788700      12.11180 
1 1 1 -22 -42 39 o 12.454  5.9224  -12.6965   48.846   65.603     136.808  -24.1362   52.293   17.331  8.5932  12.258  5.9072  5.072687       10.42777 
1 1 1 -22 -42 40 o 12.543  6.0316  -20.3731   53.802   9.1094     131.418  -26.3095   58.971   16.281  8.1291  12.733  6.1696  3.548625       10.20524 
1 1 1 -22 -42 41 o 10.710  5.3007  -64.0277   51.213   98.518     132.192  -92.7320   55.551   17.968  8.8202  10.385  5.1997  7.583833       10.23880 
1 1 1 -22 -42 42 o 12.928  6.1602  -10.2344   53.409   92.183     130.249  -30.9360   58.559   17.799  8.7408  12.508  6.0808  5.291439       10.64795 
1 1 1 -22 -42 43 o 11.899  5.7476  -27.1744   50.234   -71.3951   129.961  -19.4072   54.467   14.933  7.5378  12.597  6.0602  2.335898       9.671805 
1 1 1 -22 -42 44 o 15.317  6.8113  35.899     50.845   9.3670     114.110  42.471     56.795   15.860  7.8609  15.871  7.1180  -0.1138401E-01 10.60464 
1 1 1 -22 -42 45 o 13.463  6.3139  4.6823     52.085   -56.0576   114.725  20.452     58.456   14.615  7.3395  14.613  6.7989  0.2211571E-02  10.00471 
1 1 1 -22 -42 46 o 16.381  7.1917  52.311     54.975   -284.3651  143.721  110.015    59.499   ?       ?       20.840  8.1365  0.000000       8.136505 
1 1 1 -22 -42 47 o 16.775  7.8179  63.298     77.813   -108.4844  146.176  131.223    91.918   ?       ?       19.392  8.8397  0.000000       8.839719 
1 1 1 -22 -42 48 o 18.556  8.3947  106.320    80.975   49.583     143.138  133.023    98.198   16.352  8.2097  18.927  8.8080  -2.575378      12.04081 
1 1 1 -22 -42 49 o 12.239  6.0446  -44.8534   65.340   -137.6697  137.563  -17.8121   74.251   ?       ?       13.524  6.6329  0.000000       6.632864 
1 1 1 -22 -42 50 o 13.301  6.2745  8.6383     52.783   140.264    122.176  -21.5672   58.527   17.731  8.6563  12.403  6.0411  5.327758       10.55588 
1 1 1 -22 -41 12 o 13.827  6.7181  -4.0895    71.185   0.0000     0.0000   -4.0895    71.185   ?       ?       13.827  6.7181  0.000000       6.718093 
1 1 1 -22 -41 13 f 15.202  7.0011  34.874     59.673   0.0000     0.0000   34.874     59.673   ?       ?       15.202  7.0011  0.000000       7.001078 
1 1 1 -22 -41 14 o 13.319  6.3491  -3.6349    56.839   0.0000     0.0000   -3.6349    56.839   ?       ?       13.319  6.3491  0.000000       6.349137 
1 1 1 -22 -41 15 o 20.400  9.4563  172.775    111.485  0.0000     0.0000   172.775    111.485  ?       ?       20.400  9.4563  0.000000       9.456272 
1 1 1 -22 -41 16 o 13.182  6.6139  -90.9038   92.106   0.0000     0.0000   -90.9038   92.106   ?       ?       13.182  6.6139  0.000000       6.613902 
1 1 1 -22 -41 17 o 18.275  8.4654  89.284     89.107   288.782    166.720  9.5045     105.429  21.122  10.267  15.860  7.8037  5.261402       12.89591 
1 1 1 -22 -41 18 o 22.115  8.2354  117.151    59.141   441.390    174.685  75.174     62.853   24.451  11.498  18.230  7.8486  6.220388       13.92103 
1 1 1 -22 -41 19 o 19.648  8.0699  92.240     61.692   156.473    128.770  73.104     70.283   19.706  9.4379  17.974  7.9997  1.732185       12.37208 
1 1 1 -22 -41 20 o 14.978  6.9277  21.494     59.346   6.0338     125.589  25.939     67.338   16.335  8.1217  15.502  7.2407  0.8328161      10.88066 
1 1 1 -22 -41 21 o 15.349  7.1011  25.966     62.415   4.4049     125.124  33.109     72.014   16.320  8.1132  15.982  7.4727  0.3378468      11.03022 
1 1 1 -22 -41 22 o 17.713  7.8772  66.961     68.012   110.756    132.771  51.381     79.190   18.572  9.0573  16.921  7.8864  1.650692       12.00956 
1 1 1 -22 -41 23 o 16.921  7.6477  53.207     67.019   -7.3763    131.073  74.652     77.983   16.233  8.1070  18.017  8.1854  -1.784035      11.52062 
1 1 1 -22 -41 24 o 12.799  6.2504  -38.2253   63.837   71.294     128.951  -73.7795   73.472   17.702  8.6940  12.527  6.2257  5.175328       10.69322 
1 1 1 -22 -41 25 o 12.192  5.9681  -44.9994   59.252   -88.6138   113.539  -28.6752   69.462   14.379  7.2310  13.503  6.5777  0.8761549      9.775128 
1 1 1 -22 -41 26 o 15.969  7.2429  38.505     60.729   -1.5962    115.112  53.970     71.486   15.995  7.9221  16.959  7.7558  -0.9641161     11.08659 
1 1 1 -22 -41 27 o 18.567  7.3916  71.731     49.962   165.204    118.855  51.669     55.063   20.411  9.5614  16.745  7.2773  3.665653       12.01581 
1 1 1 -22 -41 28 o 11.794  5.6391  -21.1602   45.555   124.082    114.218  -48.6355   49.677   19.211  9.1122  11.115  5.4461  8.095838       10.61567 
1 1 1 -22 -41 29 o 15.134  7.2032  12.624     72.585   0.0000     0.0000   12.624     72.585   ?       ?       15.134  7.2032  0.000000       7.203242 
1 1 1 -22 -41 30 o 26.391  9.7609  204.661    82.802   235.807    172.459  195.331    94.393   20.228  9.9579  23.808  9.8991  -3.580072      14.04109 
1 1 1 -22 -41 31 o 14.777  6.9976  9.7675     66.823   -36.3256   146.639  21.848     75.071   16.063  8.0958  15.595  7.3942  0.4682474      10.96435 
1 1 1 -22 -41 32 o 11.342  5.4753  -30.9419   45.432   -92.0383   110.279  -18.4528   49.860   14.200  7.1393  12.362  5.9077  1.837805       9.266629 
1 1 1 -22 -41 33 o 33.037  7.7523  213.471    61.074   205.464    132.808  215.619    68.778   21.095  9.9517  31.005  8.7569  -9.909630      13.25595 
1 1 1 -22 -41 34 o 11.567  5.5324  -22.3549   43.924   -78.4081   112.896  -12.3564   47.681   14.535  7.2965  12.451  5.9003  2.083943       9.383657 
1 1 1 -22 -41 35 o 12.026  5.7052  -15.1367   44.812   -19.9345   109.608  -14.1739   49.103   15.508  7.6897  12.498  5.9418  3.009746       9.717829 
1 1 1 -22 -41 36 o 11.855  5.6935  -24.8673   47.585   -85.7428   116.243  -12.6129   52.155   14.555  7.3191  12.849  6.1128  1.706272       9.535991 
1 1 1 -22 -41 37 o 14.558  7.0163  -5.7226    73.857   218.593    189.864  -45.7184   80.171   19.636  9.7986  13.698  6.7521  5.938263       11.89976 
1 1 1 -22 -41 38 o 20.620  8.9363  123.733    82.567   58.763     203.239  136.576    90.360   17.710  8.9891  20.845  9.1836  -3.134348      12.85075 
1 1 1 -22 -41 39 o 15.816  7.1054  36.372     56.856   41.234     180.463  35.837     59.906   17.491  8.8354  15.868  7.1955  1.623361       11.39473 
1 1 1 -22 -41 40 o 13.181  6.2666  -10.5823   54.626   132.246    139.276  -36.5481   59.384   19.109  9.3098  12.538  6.1021  6.570827       11.13138 
1 1 1 -22 -41 41 o 47.028  6.8558  388.888    75.930   169.988    156.749  455.999    86.792   19.595  9.6160  49.662  7.4310  -30.06662      12.15270 
1 1 1 -22 -41 42 o 17.022  7.2764  54.003     53.327   94.113     113.292  42.587     60.442   18.475  8.8494  16.296  7.3231  2.179789       11.48655 
1 1 1 -22 -41 43 o 17.909  7.5594  65.887     56.322   -7.9642    115.861  88.739     64.450   15.982  7.9214  19.371  8.1267  -3.389217      11.34861 
1 1 1 -22 -41 44 o 16.896  7.2608  52.836     53.605   -58.6002   112.901  85.269     60.908   14.912  7.4587  19.255  7.9745  -4.343241      10.91902 
1 1 1 -22 -41 45 o 25.409  8.4924  150.208    61.510   168.392    125.415  144.448    70.582   20.289  9.6015  23.262  8.9213  -2.973598      13.10639 
1 1 1 -22 -41 46 o 16.609  7.2700  50.118     55.814   143.432    112.587  19.713     64.267   19.854  9.3022  15.073  7.0513  4.781013       11.67266 
1 1 1 -22 -41 47 o 14.103  6.5640  10.941     54.561   62.666     110.589  -5.7006    62.727   17.292  8.3951  13.827  6.6127  3.465088       10.68670 
1 1 1 -22 -41 48 o 21.745  9.1335  147.911    81.566   179.222    156.473  136.229    95.579   19.150  9.4386  20.017  9.0817  -0.8668594     13.09822 
1 1 1 -22 -41 49 o 11.772  5.8534  -71.3398   65.255   11.264     137.250  -95.4663   74.175   16.180  8.1119  11.904  5.9674  4.276040       10.07039 
1 1 1 -22 -41 50 o 11.936  5.8283  -35.7563   55.446   263.891    157.313  -78.2602   59.248   20.218  9.8597  11.006  5.4891  9.212137       11.28472 
1 1 1 -22 -41 51 f 15.995  7.2545  49.666     60.930   191.903    137.624  14.990     67.952   19.059  9.2786  14.490  6.9169  4.568489       11.57306 
1 1 1 -22 -40 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -40 10 o 14.528  6.9661  10.105     70.624   0.0000     0.0000   10.105     70.624   ?       ?       14.528  6.9661  0.000000       6.966104 
1 1 1 -22 -40 11 o 18.950  8.4308  101.262    77.989   0.0000     0.0000   101.262    77.989   ?       ?       18.950  8.4308  0.000000       8.430790 
1 1 1 -22 -40 12 o 14.514  6.6156  21.770     51.469   0.0000     0.0000   21.770     51.469   ?       ?       14.514  6.6156  0.000000       6.615618 
1 1 1 -22 -40 13 f 41.380  7.8016  331.558    75.458   0.0000     0.0000   331.558    75.458   ?       ?       41.380  7.8016  0.000000       7.801583 
1 1 1 -22 -40 14 o 12.770  6.0844  -14.4362   52.079   0.0000     0.0000   -14.4362   52.079   ?       ?       12.770  6.0844  0.000000       6.084441 
1 1 1 -22 -40 15 o 15.844  7.2884  32.251     64.419   0.0000     0.0000   32.251     64.419   ?       ?       15.844  7.2884  0.000000       7.288389 
1 1 1 -22 -40 16 o 11.513  5.7954  -125.7852  73.869   -3.6800    116.918  -206.9078  95.298   16.207  8.0192  ?       ?       0.000000       8.019247 
1 1 1 -22 -40 17 o 19.155  8.7684  98.204     91.679   183.839    169.980  63.073     108.872  19.820  9.7818  17.757  8.5485  2.063883       12.99083 
1 1 1 -22 -40 18 f 14.602  7.1554  -28.4502   85.822   -207.1628  165.030  37.798     100.478  ?       ?       16.964  8.1782  0.000000       8.178173 
1 1 1 -22 -40 19 f 36.926  8.5029  279.942    74.609   930.468    189.812  161.067    81.140   44.999  14.914  23.637  9.4165  21.36262       17.63763 
1 1 1 -22 -40 20 o 15.708  7.1465  31.076     59.708   218.058    123.557  -25.8915   68.199   22.613  10.285  13.655  6.6210  8.958428       12.23191 
1 1 1 -22 -40 21 o 20.700  8.4901  106.794    68.163   41.209     131.929  130.677    79.612   17.379  8.5844  21.539  9.0339  -4.160246      12.46205 
1 1 1 -22 -40 22 o 19.042  8.1645  83.962     67.504   152.408    136.003  61.589     77.758   19.862  9.5602  17.593  8.0613  2.269291       12.50529 
1 1 1 -22 -40 23 o 15.989  7.3369  33.628     64.725   2.5583     128.070  44.286     75.009   16.573  8.2336  16.748  7.7610  -0.1749859     11.31488 
1 1 1 -22 -40 24 f 9.6655  4.8799  -124.5848  54.637   -184.1890  108.886  -104.5271  63.165   12.930  6.5645  11.006  5.5157  1.924452       8.574139 
1 1 1 -22 -40 25 o 18.974  8.0405  81.302     64.121   155.422    119.834  51.567     75.900   20.452  9.5869  17.098  7.8824  3.353283       12.41129 
1 1 1 -22 -40 26 o 15.344  6.7240  32.426     47.862   2.2206     116.670  38.538     52.481   16.342  8.0725  15.941  7.0117  0.4018650      10.69248 
1 1 1 -22 -40 27 o 20.285  7.5602  85.983     49.862   120.873    118.752  78.515     54.939   19.375  9.2194  19.166  7.7094  0.2083168      12.01801 
1 1 1 -22 -40 28 o 25.576  7.8190  134.180    53.020   11.792     122.449  162.421    58.820   16.664  8.2385  27.776  8.1775  -11.11165      11.60794 
1 1 1 -22 -40 29 o 18.421  7.3704  67.937     49.923   121.768    115.617  55.600     55.349   19.489  9.2217  17.247  7.3940  2.241272       11.81990 
1 1 1 -22 -40 30 o 19.077  8.3767  87.816     74.618   227.984    160.212  48.989     84.322   20.965  10.161  17.102  8.0247  3.863161       12.94782 
1 1 1 -22 -40 31 o 20.330  8.7478  110.329    77.990   340.535    163.804  42.847     88.687   23.618  11.115  16.931  8.0305  6.686308       13.71214 
1 1 1 -22 -40 32 o 18.474  8.2147  77.138     73.945   160.693    152.062  51.260     84.625   19.745  9.6434  17.207  8.0628  2.537992       12.56993 
1 1 1 -22 -40 33 o 29.220  7.8068  168.917    56.404   160.024    128.618  171.035    62.760   20.349  9.6570  27.899  8.5024  -7.549917      12.86660 
1 1 1 -22 -40 34 o 15.334  6.7626  31.315     49.121   172.253    117.375  1.3899     54.085   21.240  9.7954  13.798  6.4591  7.442547       11.73327 
1 1 1 -22 -40 35 o 12.461  5.8771  -11.4198   46.261   -161.4572  125.400  12.215     49.771   14.033  7.1164  14.097  6.4559  -0.6388950E-01 9.608410 
1 1 1 -22 -40 36 o 20.326  7.8704  90.540     55.317   94.745     134.109  89.678     60.723   18.568  9.0657  19.859  8.0638  -1.291098      12.13309 
1 1 1 -22 -40 37 o 13.609  6.6127  -29.3854   69.002   22.569     130.003  -49.7628   81.417   17.046  8.4383  13.806  6.8054  3.239623       10.84056 
1 1 1 -22 -40 38 o 17.515  8.1010  58.253     81.158   88.551     196.549  52.025     89.109   18.342  9.2599  17.318  8.1644  1.023586       12.34517 
1 1 1 -22 -40 39 o 14.670  7.0797  -10.3397   75.787   -278.3759  190.855  39.837     82.577   ?       ?       16.766  7.8904  0.000000       7.890392 
1 1 1 -22 -40 40 o 22.600  8.1420  113.993    57.053   161.652    111.996  97.290     66.301   21.193  9.6975  20.180  8.3357  1.012403       12.78775 
1 1 1 -22 -40 41 o 34.602  7.8624  230.740    64.512   204.885    126.387  239.850    75.021   22.091  10.180  32.562  9.1278  -10.47101      13.67260 
1 1 1 -22 -40 42 o 16.175  7.1261  39.755     54.407   126.752    109.250  11.064     62.740   20.025  9.3094  14.875  6.9613  5.149377       11.62433 
1 1 1 -22 -40 43 o 40.110  7.3815  292.185    69.192   305.716    132.298  287.091    81.179   25.870  11.262  35.884  9.2610  -10.01408      14.58045 
1 1 1 -22 -40 44 o 16.943  7.7635  46.199     72.119   245.077    115.215  -81.9233   92.476   24.984  10.688  13.774  6.8680  11.20978       12.70460 
1 1 1 -22 -40 45 o 11.913  5.7730  -36.6135   51.660   70.091     103.135  -72.3528   59.688   18.119  8.6132  11.537  5.7126  6.581812       10.33539 
1 1 1 -22 -40 46 o 12.788  6.0824  -15.7327   51.571   23.212     102.453  -28.9485   59.683   16.657  8.0855  12.949  6.2572  3.708751       10.22392 
1 1 1 -22 -40 47 o 18.840  7.7505  75.372     57.017   -0.8717    129.027  93.873     63.560   16.586  8.2441  20.039  8.2063  -3.453520      11.63224 
1 1 1 -22 -40 48 o 13.413  6.3698  -9.1175    56.138   131.881    122.795  -46.3725   63.120   19.573  9.3307  12.567  6.1536  7.005922       11.17714 
1 1 1 -22 -40 49 o 19.137  8.6359  98.285     85.082   -28.7459   167.119  142.730    98.851   16.574  8.3841  20.688  9.3246  -4.113956      12.53961 
1 1 1 -22 -40 50 o 16.720  7.7939  48.743     77.390   60.825     165.155  45.343     87.603   17.494  8.7879  16.702  7.9389  0.7924843      11.84285 
1 1 1 -22 -40 51 o 16.401  7.3625  48.749     60.917   48.954     137.937  48.699     67.897   16.991  8.4582  16.458  7.5381  0.5331841      11.32979 
1 1 1 -22 -40 52 o 10.119  5.0571  -83.1623   51.416   -120.6627  123.122  -75.2411   56.586   13.952  7.0726  10.873  5.4134  3.079101       8.906486 
1 1 1 -22 -39 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -39 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -39 9  o 14.356  6.5079  20.325     48.955   0.0000     0.0000   20.325     48.955   ?       ?       14.356  6.5079  0.000000       6.507880 
1 1 1 -22 -39 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -39 11 o 25.269  9.9361  198.552    89.251   0.0000     0.0000   198.552    89.251   ?       ?       25.269  9.9361  0.000000       9.936059 
1 1 1 -22 -39 12 o 19.833  8.6794  101.232    79.509   0.0000     0.0000   101.232    79.509   ?       ?       19.833  8.6794  0.000000       8.679351 
1 1 1 -22 -39 13 o 23.887  8.3558  128.055    59.707   0.0000     0.0000   128.055    59.707   ?       ?       23.887  8.3558  0.000000       8.355809 
1 1 1 -22 -39 14 o 12.994  6.1998  -18.3743   54.456   0.0000     0.0000   -18.3743   54.456   ?       ?       12.994  6.1998  0.000000       6.199847 
1 1 1 -22 -39 15 o 11.963  5.8388  -47.2210   55.488   -1.3858    131.942  -57.0692   61.159   16.883  8.3825  12.188  5.9861  4.695090       10.30051 
1 1 1 -22 -39 16 o 23.037  8.0984  114.593    56.117   28.729     130.250  134.164    62.185   17.443  8.6000  24.271  8.5254  -6.827936      12.10959 
1 1 1 -22 -39 17 o 19.553  8.9091  100.485    93.242   58.039     171.101  118.416    111.205  18.219  9.1230  19.854  9.2840  -1.635151      13.01626 
1 1 1 -22 -39 18 o 16.289  7.8284  16.935     90.318   -10.6426   165.556  28.620     107.767  17.222  8.6699  17.043  8.2774  0.1786880      11.98679 
1 1 1 -22 -39 19 o 17.885  8.3748  61.374     91.041   3.5695     165.667  86.383     108.970  17.404  8.7499  18.757  8.8980  -1.353733      12.47943 
1 1 1 -22 -39 20 o 27.302  9.0169  175.983    69.409   327.241    132.753  119.079    81.425   27.072  11.524  20.983  8.9812  6.088188       14.61055 
1 1 1 -22 -39 21 o 12.153  5.9852  -61.6541   62.515   17.241     118.212  -92.2858   73.658   16.947  8.3233  12.307  6.1353  4.639954       10.34022 
1 1 1 -22 -39 22 o 18.711  8.0495  74.824     66.012   46.292     128.021  85.158     77.044   17.733  8.6995  19.117  8.4482  -1.384342      12.12656 
1 1 1 -22 -39 23 f 23.945  8.6325  134.433    64.147   168.362    119.852  120.811    75.940   21.361  9.8675  21.492  8.9028  -0.1310749     13.29012 
1 1 1 -22 -39 24 o 15.520  7.1198  23.859     60.896   28.329     110.877  21.928     72.871   17.112  8.3302  15.914  7.4649  1.197865       11.18558 
1 1 1 -22 -39 25 o 18.420  7.3271  65.353     49.058   168.115    114.388  42.191     54.306   21.675  9.8728  16.445  7.1855  5.229826       12.21079 
1 1 1 -22 -39 26 o 19.327  7.4377  74.185     49.168   17.815     117.581  86.130     54.127   17.008  8.3425  20.228  7.7984  -3.220482      11.41982 
1 1 1 -22 -39 27 o 24.013  7.8434  118.168    52.571   52.508     119.022  134.083    58.597   17.877  8.6859  24.871  8.2883  -6.994854      12.00591 
1 1 1 -22 -39 28 o 16.742  7.0368  46.927     48.471   -12.2552   113.936  60.005     53.560   16.272  8.0265  17.860  7.4439  -1.587944      10.94698 
1 1 1 -22 -39 29 o 16.436  7.0592  42.755     50.618   259.806    116.800  -7.4358    56.166   25.982  10.922  13.668  6.4552  12.31394       12.68717 
1 1 1 -22 -39 30 o 19.260  8.2087  81.912     67.506   119.158    116.594  63.130     82.795   19.862  9.3560  18.022  8.2803  1.839207       12.49395 
1 1 1 -22 -39 31 o 21.712  8.9391  122.223    75.924   212.928    152.993  92.585     87.452   21.506  10.297  19.397  8.7541  2.109602       13.51499 
1 1 1 -22 -39 32 o 14.381  6.8349  -5.6035    64.896   -214.2989  140.166  51.340     73.216   ?       ?       17.379  7.9093  0.000000       7.909304 
1 1 1 -22 -39 33 o 20.945  8.8761  113.365    78.151   120.845    200.044  112.017    84.897   19.134  9.6192  20.518  8.9741  -1.383947      13.15532 
1 1 1 -22 -39 34 o 26.281  8.0885  142.491    56.630   132.852    122.948  145.086    63.800   20.174  9.5347  25.233  8.6479  -5.059298      12.87237 
1 1 1 -22 -39 35 o 23.562  8.2134  120.834    57.665   185.570    134.699  106.307    63.808   21.446  10.089  21.407  8.4064  0.3940582E-01  13.13186 
1 1 1 -22 -39 36 o 11.197  5.4630  -47.4253   48.460   31.334     125.905  -61.1219   52.505   17.484  8.5876  11.181  5.5026  6.302497       10.19927 
1 1 1 -22 -39 37 o 15.243  6.9253  22.575     55.826   -21.3799   129.302  32.646     61.892   16.500  8.2097  16.089  7.3029  0.4105587      10.98782 
1 1 1 -22 -39 38 o 27.240  10.312  224.709    93.543   141.012    213.085  244.689    104.111  19.279  9.7220  26.907  10.683  -7.627272      14.44455 
1 1 1 -22 -39 39 f 16.179  7.6727  20.345     80.905   193.652    195.937  -15.2772   88.832   20.100  10.018  15.315  7.4558  4.784873       12.48806 
1 1 1 -22 -39 40 o 15.435  7.3917  2.1865     78.949   227.814    179.774  -51.7252   87.876   20.977  10.295  14.297  7.0518  6.680099       12.47848 
1 1 1 -22 -39 41 o 25.562  8.3286  140.807    59.290   196.413    117.556  121.837    68.663   22.784  10.228  22.322  8.7335  0.4625549      13.44933 
1 1 1 -22 -39 42 o 18.417  7.6321  66.675     55.842   170.395    110.059  30.716     64.802   22.159  9.9253  16.106  7.3725  6.052578       12.36392 
1 1 1 -22 -39 43 o 14.671  6.7015  15.108     53.179   0.6358     109.602  19.564     60.818   16.496  8.0841  15.351  7.0691  1.145290       10.73890 
1 1 1 -22 -39 44 o 14.239  6.5917  6.3851     53.905   173.128    111.114  -44.9385   61.646   22.304  9.9827  12.674  6.1788  9.629972       11.74016 
1 1 1 -22 -39 45 o 32.621  8.2434  211.124    65.276   435.414    134.947  142.614    74.582   33.705  12.462  23.593  9.1377  10.11170       15.45306 
1 1 1 -22 -39 46 o 11.833  5.7618  -45.3769   53.132   79.152     116.446  -78.1193   59.710   18.749  8.9781  11.471  5.6858  7.277451       10.62701 
1 1 1 -22 -39 47 o 14.685  6.7730  11.723     56.136   71.766     129.756  -2.1021    62.264   18.530  9.0186  14.400  6.7996  4.130025       11.29467 
1 1 1 -22 -39 48 o 18.870  7.8785  73.530     60.141   32.021     129.900  84.855     67.851   17.579  8.6519  19.481  8.2640  -1.901457      11.96453 
1 1 1 -22 -39 49 o 16.525  7.7795  30.657     80.389   -138.0578  171.222  78.362     91.048   15.924  8.0986  18.619  8.6007  -2.694874      11.81352 
1 1 1 -22 -39 50 o 21.027  9.0702  124.255    84.267   156.068    172.850  114.337    96.513   19.557  9.6903  19.951  9.0801  -0.3931217     13.27969 
1 1 1 -22 -39 51 o 14.207  6.8825  -18.9178   73.298   -24.6464   172.762  -17.6603   80.945   16.875  8.5353  14.656  7.1309  2.218637       11.12208 
1 1 1 -22 -39 52 o 15.826  7.1445  36.185     58.296   73.597     138.083  28.071     64.308   17.819  8.7982  15.565  7.2033  2.254334       11.37084 
1 1 1 -22 -39 53 o 20.397  8.2443  104.226    63.161   172.419    137.912  86.127     71.050   19.650  9.4996  18.617  8.1744  1.033367       12.53250 
1 1 1 -22 -38 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -38 7  o 15.901  6.8694  39.937     48.485   0.0000     0.0000   39.937     48.485   ?       ?       15.901  6.8694  0.000000       6.869425 
1 1 1 -22 -38 8  o 8.8834  4.4489  -84.5842   40.759   0.0000     0.0000   -84.5842   40.759   ?       ?       8.8834  4.4489  0.000000       4.448874 
1 1 1 -22 -38 9  f 14.196  6.4532  13.182     48.566   0.0000     0.0000   13.182     48.566   ?       ?       14.196  6.4532  0.000000       6.453248 
1 1 1 -22 -38 10 o 16.309  6.9561  41.211     48.539   0.0000     0.0000   41.211     48.539   ?       ?       16.309  6.9561  0.000000       6.956130 
1 1 1 -22 -38 11 o 16.688  7.5909  38.277     67.325   0.0000     0.0000   38.277     67.325   ?       ?       16.688  7.5909  0.000000       7.590932 
1 1 1 -22 -38 12 o 15.907  7.3527  23.070     66.701   0.0000     0.0000   23.070     66.701   ?       ?       15.907  7.3527  0.000000       7.352738 
1 1 1 -22 -38 13 o 25.447  8.6737  144.948    64.178   0.0000     0.0000   144.948    64.178   ?       ?       25.447  8.6737  0.000000       8.673732 
1 1 1 -22 -38 14 o 12.188  5.8627  -31.3115   50.939   -136.2789  132.166  -12.9986   55.204   14.974  7.5635  13.420  6.3564  1.553862       9.879746 
1 1 1 -22 -38 15 f 10.669  5.1967  -45.4454   43.321   45.166     124.995  -57.8157   46.184   17.975  8.7711  10.574  5.1950  7.401567       10.19409 
1 1 1 -22 -38 16 o 9.1727  4.5757  -79.2647   41.247   -48.0075   104.004  -85.0985   44.931   15.283  7.5624  9.5230  4.7545  5.759978       8.932801 
1 1 1 -22 -38 17 o 12.671  6.0820  -27.3181   54.150   -129.5968  111.115  4.5374     62.012   14.109  7.1028  14.732  6.9026  -0.6226921     9.904325 
1 1 1 -22 -38 18 o 20.412  9.2128  114.785    96.868   128.771    176.210  108.729    115.963  19.602  9.7246  19.748  9.3111  -0.1466770     13.46348 
1 1 1 -22 -38 19 o 30.361  10.934  282.097    102.888  369.022    184.496  242.862    123.952  24.162  11.496  24.701  10.823  -0.5387821     15.78865 
1 1 1 -22 -38 20 o 14.823  7.2636  -37.1095   88.430   -31.4620   156.918  -39.7377   107.046  17.111  8.5916  15.611  7.7151  1.500051       11.54725 
1 1 1 -22 -38 21 o 17.354  7.7018  49.988     64.700   84.057     125.827  37.742     75.436   19.007  9.1601  16.924  7.8216  2.082979       12.04515 
1 1 1 -22 -38 22 o 15.396  7.0495  19.635     59.310   -34.3427   111.871  40.738     69.950   15.944  7.8811  16.952  7.7210  -1.007495      11.03295 
1 1 1 -22 -38 23 o 13.113  6.0112  1.2760     43.302   -139.8618  111.017  26.601     47.027   14.005  7.0569  15.195  6.6615  -1.189056      9.704439 
1 1 1 -22 -38 24 o 19.403  7.4252  72.254     48.828   96.218     117.503  67.252     53.683   19.505  9.2490  18.732  7.5904  0.7732677      11.96483 
1 1 1 -22 -38 25 f 22.182  7.8167  99.536     52.308   177.451    121.066  81.652     58.001   22.362  10.175  19.907  7.9515  2.455151       12.91310 
1 1 1 -22 -38 26 o 14.235  6.4103  13.190     46.590   30.187     111.799  9.6183     51.252   17.598  8.5190  14.362  6.5677  3.235935       10.75673 
1 1 1 -22 -38 27 o 10.938  5.2687  -34.7201   41.497   -154.6371  105.619  -12.8296   45.126   13.537  6.8287  12.503  5.8680  1.034150       9.003560 
1 1 1 -22 -38 28 o 15.637  6.7333  31.849     46.277   -1.9219    104.641  40.059     51.597   16.593  8.0807  16.498  7.1069  0.9505463E-01  10.76136 
1 1 1 -22 -38 29 o 21.195  7.6832  89.051     50.915   107.450    111.265  84.177     57.262   20.105  9.3629  20.247  7.9595  -0.1417770     12.28893 
1 1 1 -22 -38 30 o 12.989  6.0631  -8.0730    47.093   -29.3119   106.154  -2.8688    52.546   15.981  7.8565  13.786  6.4248  2.194320       10.14904 
1 1 1 -22 -38 31 o 18.192  7.9203  60.429     65.461   19.919     113.479  80.632     80.138   17.421  8.4684  19.346  8.5796  -1.925402      12.05502 
1 1 1 -22 -38 32 f 16.391  7.5568  27.438     69.769   -152.0417  185.279  57.094     75.313   ?       ?       18.058  8.1394  0.000000       8.139365 
1 1 1 -22 -38 33 o 18.247  8.0834  61.126     70.953   175.393    149.563  27.941     80.600   21.352  10.212  16.792  7.8685  4.559879       12.89139 
1 1 1 -22 -38 34 f 14.691  6.7293  11.382     54.117   198.337    148.967  -17.0422   58.085   21.970  10.417  13.565  6.4530  8.404524       12.25344 
1 1 1 -22 -38 35 o 29.078  8.4950  174.423    63.693   315.266    134.191  133.466    72.364   27.558  11.652  23.422  9.0205  4.135935       14.73586 
1 1 1 -22 -38 36 o 20.688  7.9500  88.591     56.122   -64.8868   115.135  136.422    64.274   15.539  7.7342  24.690  8.6677  -9.151052      11.61661 
1 1 1 -22 -38 37 o 10.907  5.3286  -51.0906   46.552   22.003     95.517   -73.8604   53.312   16.957  8.1231  10.958  5.4208  5.999004       9.765746 
1 1 1 -22 -38 38 o 16.706  7.1805  43.109     52.443   -47.6014   106.035  72.482     60.339   15.485  7.6577  19.032  7.9142  -3.547377      11.01243 
1 1 1 -22 -38 39 o 16.790  7.9266  26.928     84.544   -88.8235   179.581  59.888     95.829   16.948  8.5860  18.262  8.5645  -1.314468      12.12724 
1 1 1 -22 -38 40 o 14.143  6.9594  -55.0942   83.936   0.0000     0.0000   -55.0942   83.936   ?       ?       14.143  6.9594  0.000000       6.959351 
1 1 1 -22 -38 41 o 30.269  8.9370  199.161    70.165   475.564    219.111  167.579    74.065   24.592  11.910  26.177  9.2931  -1.585352      15.10653 
1 1 1 -22 -38 42 o 14.303  6.6049  6.1512     53.632   -134.5829  113.089  46.988     60.918   14.199  7.1505  17.142  7.5469  -2.942295      10.39638 
1 1 1 -22 -38 43 o 11.180  5.4680  -53.0752   49.427   -81.3130   117.212  -46.9680   54.510   15.276  7.6347  11.979  5.8336  3.297060       9.608347 
1 1 1 -22 -38 44 o 11.441  5.6127  -58.4910   53.260   45.447     123.342  -82.3127   59.049   18.110  8.8092  11.344  5.6280  6.766179       10.45355 
1 1 1 -22 -38 45 o 18.789  8.4196  72.039     79.290   220.434    133.638  -8.5818    98.501   23.306  10.637  16.142  7.8567  7.163544       13.22415 
1 1 1 -22 -38 46 o 15.417  7.0043  20.804     57.100   -75.6318   120.376  48.802     64.861   15.562  7.7715  17.400  7.7173  -1.837535      10.95228 
1 1 1 -22 -38 47 o 11.751  5.7582  -57.6172   55.571   158.108    125.207  -110.5367  62.014   21.546  9.9996  10.961  5.4891  10.58490       11.40709 
1 1 1 -22 -38 48 o 18.214  7.8005  61.308     61.492   54.281     133.701  63.193     69.250   18.492  9.0338  18.338  8.0606  0.1539783      12.10716 
1 1 1 -22 -38 49 o 18.110  7.6785  60.345     58.526   56.492     129.062  61.343     65.666   18.453  8.9840  18.175  7.9225  0.2774963      11.97822 
1 1 1 -22 -38 50 o 21.299  9.1094  119.095    83.653   204.693    170.929  92.136     95.925   21.188  10.321  19.503  8.9431  1.684797       13.65639 
1 1 1 -22 -38 51 o 16.859  7.9815  31.173     86.826   0.0000     0.0000   31.173     86.826   ?       ?       16.859  7.9815  0.000000       7.981538 
1 1 1 -22 -38 52 o 13.261  6.2975  -13.4575   54.863   16.447     127.149  -20.2988   60.815   17.136  8.4577  13.458  6.4559  3.678760       10.64013 
1 1 1 -22 -38 53 f 13.290  6.4946  -40.4039   69.282   -24.2659   134.342  -46.2510   80.865   16.323  8.1599  13.884  6.8319  2.438447       10.64232 
1 1 1 -22 -38 54 o 15.918  7.9894  -35.5384   134.988  -35.5384   134.988  0.0000     0.0000   15.918  7.9894  ?       ?       0.000000       7.989372 
1 1 1 -22 -37 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -37 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -37 6  o 15.600  6.7319  33.702     46.457   0.0000     0.0000   33.702     46.457   ?       ?       15.600  6.7319  0.000000       6.731916 
1 1 1 -22 -37 7  o 17.442  7.3018  53.180     51.853   0.0000     0.0000   53.180     51.853   ?       ?       17.442  7.3018  0.000000       7.301754 
1 1 1 -22 -37 8  o 26.710  8.1462  144.392    57.596   0.0000     0.0000   144.392    57.596   ?       ?       26.710  8.1462  0.000000       8.146245 
1 1 1 -22 -37 9  o 23.735  8.1223  116.556    56.279   0.0000     0.0000   116.556    56.279   ?       ?       23.735  8.1223  0.000000       8.122295 
1 1 1 -22 -37 10 o 9.9155  4.8745  -57.2274   40.848   0.0000     0.0000   -57.2274   40.848   ?       ?       9.9155  4.8745  0.000000       4.874513 
1 1 1 -22 -37 11 o 18.053  7.4426  58.022     52.718   0.0000     0.0000   58.022     52.718   ?       ?       18.053  7.4426  0.000000       7.442639 
1 1 1 -22 -37 12 o 18.306  8.0348  61.666     68.590   159.474    236.104  52.650     71.681   20.077  10.137  17.797  7.9880  2.280025       12.90631 
1 1 1 -22 -37 13 o 17.021  7.8681  35.679     76.392   344.885    231.453  -2.1230    80.927   22.307  11.080  15.666  7.4974  6.640866       13.37840 
1 1 1 -22 -37 14 o 11.938  5.7476  -34.3000   49.233   482.067    219.868  -61.5575   50.516   25.053  12.082  11.044  5.4275  14.00886       13.24546 
1 1 1 -22 -37 15 o 16.188  6.8824  37.858     47.239   99.311     120.676  26.737     51.336   19.728  9.3600  15.514  6.8741  4.213893       11.61298 
1 1 1 -22 -37 16 o 20.659  8.2081  91.038     61.498   146.988    122.807  72.311     71.048   21.294  9.8898  18.957  8.2526  2.336971       12.88071 
1 1 1 -22 -37 17 o 16.697  7.3907  38.998     59.199   -79.1923   118.840  78.005     68.272   15.501  7.7378  19.403  8.2621  -3.902356      11.31975 
1 1 1 -22 -37 18 o 20.857  8.3872  94.964     65.006   89.096     123.334  97.221     76.494   19.493  9.3086  20.512  8.7403  -1.019680      12.76879 
1 1 1 -22 -37 19 o 19.402  8.9003  82.045     95.152   -53.7444   175.646  138.447    113.201  17.503  8.8264  21.420  9.7818  -3.916542      13.17532 
1 1 1 -22 -37 20 o 19.096  8.8320  73.576     96.447   8.4717     177.567  100.822    114.869  18.383  9.2180  20.036  9.3901  -1.652380      13.15845 
1 1 1 -22 -37 21 o 16.311  7.8298  1.0587     89.764   5.1321     162.802  -0.7205    107.597  18.210  9.0848  16.910  8.2259  1.300076       12.25560 
1 1 1 -22 -37 22 o 29.183  7.5794  155.351    54.150   283.481    122.543  124.261    60.363   28.199  11.454  24.316  8.4074  3.883165       14.20807 
1 1 1 -22 -37 23 f 18.334  7.2354  58.836     47.488   83.883     109.869  53.082     52.661   19.650  9.2012  17.789  7.3949  1.861782       11.80452 
1 1 1 -22 -37 24 o 20.826  7.5560  82.138     49.259   -21.4804   114.903  105.469    54.523   16.762  8.2271  23.020  7.9886  -6.258360      11.46748 
1 1 1 -22 -37 25 o 10.767  5.2123  -41.7161   41.867   -39.9773   104.058  -42.0520   45.732   15.927  7.8198  11.282  5.4581  4.645576       9.536240 
1 1 1 -22 -37 26 o 19.882  7.5796  73.793     50.759   66.467     114.477  75.586     56.630   19.219  9.1180  19.842  7.8787  -0.6229134     12.05038 
1 1 1 -22 -37 27 f 7.7359  3.9213  -116.5449  37.809   -109.3131  98.819   -117.7851  40.923   14.168  7.0699  8.1910  4.1442  5.976848       8.194975 
1 1 1 -22 -37 28 o 13.356  6.1924  -5.9763    47.846   29.675     109.333  -14.4210   53.211   18.056  8.6605  13.444  6.3291  4.612435       10.72669 
1 1 1 -22 -37 29 o 11.852  5.6748  -31.9646   46.483   78.203     104.006  -59.4633   51.962   19.656  9.1195  11.418  5.5892  8.238698       10.69600 
1 1 1 -22 -37 30 o 16.181  7.0288  32.294     51.316   148.700    126.266  9.2626     56.164   22.002  10.151  14.968  6.8560  7.033350       12.24953 
1 1 1 -22 -37 31 o 16.780  7.1178  40.418     50.326   223.067    117.586  -0.5419    55.683   25.855  10.918  14.386  6.6739  11.46862       12.79665 
1 1 1 -22 -37 32 o 15.894  7.3351  14.928     65.988   183.373    141.719  -31.7015   74.564   22.670  10.561  14.526  7.0132  8.144118       12.67712 
1 1 1 -22 -37 33 o 17.347  7.7678  40.754     67.359   -40.0948   144.134  63.347     76.191   17.368  8.6458  18.816  8.3539  -1.448107      12.02241 
1 1 1 -22 -37 34 o 13.085  6.3534  -46.1819   63.379   81.367     142.309  -77.7408   70.787   19.741  9.5699  12.789  6.3119  6.951216       11.46404 
1 1 1 -22 -37 35 o 22.078  7.9845  97.090     54.941   104.991    116.761  94.844     62.265   20.467  9.5512  21.320  8.3236  -0.8536892     12.66920 
1 1 1 -22 -37 36 o 16.496  7.1126  37.146     51.771   159.730    103.974  -3.2648    59.697   23.240  10.050  14.507  6.7896  8.732489       12.12832 
1 1 1 -22 -37 37 o 23.736  8.1199  113.783    56.245   90.284     113.685  121.399    64.721   19.879  9.3244  23.564  8.6440  -3.685808      12.71470 
1 1 1 -22 -37 38 o 21.691  8.0978  96.235     57.253   146.793    109.987  77.443     67.054   22.161  9.9245  19.608  8.2609  2.552469       12.91270 
1 1 1 -22 -37 39 o 15.159  7.2918  -17.4554   78.794   -180.5229  191.000  15.988     86.497   ?       ?       16.723  7.9312  0.000000       7.931244 
1 1 1 -22 -37 40 o 21.038  9.3066  113.535    93.723   446.435    207.137  27.837     105.096  25.672  12.204  17.635  8.4673  8.036180       14.85387 
1 1 1 -22 -37 41 o 16.787  7.9005  22.604     82.782   -135.8857  186.035  61.735     92.438   16.880  8.5708  18.598  8.6174  -1.717859      12.15396 
1 1 1 -22 -37 42 o 19.480  7.9552  75.050     59.523   75.888     128.248  74.820     67.199   19.227  9.2617  19.300  8.2071  -0.7290649E-01 12.37482 
1 1 1 -22 -37 43 o 35.304  7.7668  227.432    64.725   497.075    131.657  141.491    74.328   41.051  12.271  24.145  9.1798  16.90584       15.32478 
1 1 1 -22 -37 44 o 16.439  7.2788  35.099     57.456   50.089     119.512  30.593     65.526   18.455  8.9023  16.483  7.4943  1.971603       11.63677 
1 1 1 -22 -37 45 f 20.835  8.9272  103.218    80.606   105.303    130.200  101.922    102.641  20.019  9.5612  20.215  9.2626  -0.1961803     13.31210 
1 1 1 -22 -37 46 o 12.803  6.1320  -28.3730   54.384   6.0712     120.181  -37.2423   60.985   17.392  8.5108  13.085  6.3238  4.306413       10.60298 
1 1 1 -22 -37 47 o 10.911  5.4052  -79.3574   53.715   -120.3222  119.004  -68.8761   60.196   14.920  7.4904  11.949  5.8827  2.971092       9.524296 
1 1 1 -22 -37 48 o 18.624  7.8352  63.713     60.186   82.522     132.102  58.787     67.610   19.521  9.4023  18.294  8.0046  1.227007       12.34820 
1 1 1 -22 -37 49 o 13.748  6.4655  -10.0863   55.257   -17.2393   127.047  -8.4175    61.365   17.121  8.4511  14.333  6.7626  2.788376       10.82380 
1 1 1 -22 -37 50 o 18.055  8.2105  53.022     78.700   2.1094     177.088  65.552     87.853   18.326  9.1916  18.748  8.5827  -0.4218159     12.57570 
1 1 1 -22 -37 51 o 16.246  7.7631  6.1614     86.075   0.0000     0.0000   6.1614     86.075   ?       ?       16.246  7.7631  0.000000       7.763089 
1 1 1 -22 -37 52 o 21.155  10.383  203.962    182.966  203.962    182.966  0.0000     0.0000   21.155  10.383  ?       ?       0.000000       10.38275 
1 1 1 -22 -37 53 o 16.072  8.0229  -53.4488   127.739  -53.4488   127.739  0.0000     0.0000   16.072  8.0229  ?       ?       0.000000       8.022923 
1 1 1 -22 -37 54 o 20.383  9.8650  165.842    149.740  165.842    149.740  0.0000     0.0000   20.383  9.8650  ?       ?       0.000000       9.864975 
1 1 1 -22 -37 55 o 18.176  8.5271  74.863     95.142   5.9506     229.616  89.147     104.539  ?       ?       18.623  8.7987  0.000000       8.798694 
1 1 1 -22 -36 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -36 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -36 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -36 5  o 23.485  9.1931  137.910    76.108   0.0000     0.0000   137.910    76.108   ?       ?       23.485  9.1931  0.000000       9.193138 
1 1 1 -22 -36 6  o 21.181  7.6321  87.139     50.132   0.0000     0.0000   87.139     50.132   ?       ?       21.181  7.6321  0.000000       7.632098 
1 1 1 -22 -36 7  f 17.096  7.2379  45.323     51.885   0.0000     0.0000   45.323     51.885   ?       ?       17.096  7.2379  0.000000       7.237925 
1 1 1 -22 -36 8  o 11.517  5.5034  -29.3216   43.261   0.0000     0.0000   -29.3216   43.261   ?       ?       11.517  5.5034  0.000000       5.503384 
1 1 1 -22 -36 9  o 16.828  7.0142  43.091     47.558   0.0000     0.0000   43.091     47.558   ?       ?       16.828  7.0142  0.000000       7.014229 
1 1 1 -22 -36 10 o 12.156  5.7251  -17.6677   43.618   0.0000     0.0000   -17.6677   43.618   ?       ?       12.156  5.7251  0.000000       5.725111 
1 1 1 -22 -36 11 o 24.393  7.7792  114.802    51.915   260.685    135.388  89.654     56.212   25.546  11.249  21.075  7.9903  4.470316       13.79774 
1 1 1 -22 -36 12 o 17.815  7.9583  50.273     70.254   -13.2604   130.115  76.417     83.466   17.301  8.5420  19.341  8.6547  -2.040064      12.16014 
1 1 1 -22 -36 13 o 17.746  8.1040  46.076     77.695   220.981    222.069  21.680     82.936   21.297  10.623  16.819  7.9133  4.477510       13.24614 
1 1 1 -22 -36 14 o 12.803  6.0290  -15.7768   48.343   -178.5079  156.594  1.3662     50.826   15.708  7.9643  13.988  6.4491  1.720434       10.24800 
1 1 1 -22 -36 15 o 31.355  7.3874  173.829    55.280   203.400    124.246  166.531    61.726   23.996  10.660  29.034  8.3286  -5.037212      13.52800 
1 1 1 -22 -36 16 o 23.500  7.9813  109.317    54.338   278.304    125.464  70.301     60.285   27.760  11.467  19.242  7.9485  8.517275       13.95217 
1 1 1 -22 -36 17 o 21.938  8.3482  100.545    61.505   205.811    119.992  63.032     71.630   24.622  10.722  18.743  8.2192  5.879129       13.50953 
1 1 1 -22 -36 18 o 17.659  7.7451  47.033     63.631   115.305    119.712  20.148     75.122   20.933  9.7360  16.612  7.7219  4.320526       12.42647 
1 1 1 -22 -36 19 o 14.341  6.9763  -44.9813   77.371   8.4257     115.393  -88.6017   104.286  17.697  8.5879  14.966  7.4346  2.730431       11.35894 
1 1 1 -22 -36 20 o 22.024  9.6545  124.458    98.752   246.906    179.368  71.198     118.295  23.435  11.201  19.634  9.3014  3.801197       14.55946 
1 1 1 -22 -36 21 o 25.429  9.5922  155.348    80.751   174.680    177.190  150.281    90.719   21.998  10.668  24.123  9.8327  -2.124477      14.50801 
1 1 1 -22 -36 22 o 35.917  9.9278  281.250    89.408   52.117     192.989  343.868    100.887  19.927  9.9336  39.013  10.449  -19.08530      14.41694 
1 1 1 -22 -36 23 o 35.582  6.9903  209.274    58.198   253.596    121.660  196.122    66.273   27.940  11.388  32.254  8.3890  -4.313732      14.14391 
1 1 1 -22 -36 24 o 21.418  7.6415  84.147     50.139   91.068     107.756  82.235     56.645   20.656  9.4741  20.863  7.9942  -0.2065258     12.39621 
1 1 1 -22 -36 25 o 15.027  6.6275  17.570     47.182   179.250    103.977  -24.3546   52.947   25.369  10.455  13.106  6.2129  12.26258       12.16152 
1 1 1 -22 -36 26 o 25.333  7.8818  118.804    53.607   -13.1834   112.553  157.529    60.966   17.420  8.4600  28.910  8.2724  -11.49064      11.83229 
1 1 1 -22 -36 27 o 16.592  7.1175  33.949     51.345   -219.9571  176.441  57.440     53.668   16.518  8.3829  18.649  7.5778  -2.131666      11.30031 
1 1 1 -22 -36 28 o 29.912  7.5779  156.290    55.063   148.761    118.593  158.359    62.171   23.106  10.330  28.850  8.3826  -5.744120      13.30296 
1 1 1 -22 -36 29 o 16.735  7.1697  35.172     51.980   68.608     122.366  27.810     57.419   20.070  9.4937  16.488  7.2895  3.581903       11.96947 
1 1 1 -22 -36 30 o 20.806  7.6930  78.450     51.428   176.841    111.906  52.107     57.905   24.821  10.574  18.278  7.6874  6.543217       13.07295 
1 1 1 -22 -36 31 o 18.454  7.4078  55.489     50.611   50.941     112.430  56.645     56.678   19.354  9.1382  18.619  7.7003  0.7347851      11.94997 
1 1 1 -22 -36 32 o 20.326  7.7509  74.779     53.089   39.073     112.948  84.905     60.147   18.953  9.0109  21.070  8.1932  -2.116117      12.17888 
1 1 1 -22 -36 33 o 18.025  7.9876  44.727     69.337   122.158    146.301  22.298     78.741   21.554  10.249  17.214  7.9682  4.339333       12.98242 
1 1 1 -22 -36 34 o 15.418  7.1830  0.5193     65.587   58.856     136.576  -16.9666   74.773   19.800  9.5425  15.318  7.2963  4.481937       12.01228 
1 1 1 -22 -36 35 o 23.196  9.1592  120.663    76.139   -12.8662   156.147  162.316    87.210   18.556  9.1971  25.584  9.8887  -7.027063      13.50460 
1 1 1 -22 -36 36 o 29.133  8.1448  159.132    59.816   227.399    124.145  138.493    68.262   26.187  11.146  25.474  8.9331  0.7126732      14.28389 
1 1 1 -22 -36 37 o 30.288  8.1088  170.747    60.777   63.775     111.813  215.606    72.407   19.486  9.1740  33.004  8.8571  -13.51760      12.75185 
1 1 1 -22 -36 38 o 30.406  8.3334  176.717    63.309   126.038    122.332  195.255    73.987   21.574  9.9672  30.330  9.2290  -8.755737      13.58379 
1 1 1 -22 -36 39 o 15.024  6.8022  12.621     53.292   3.3858     112.834  15.273     60.461   17.556  8.5135  15.675  7.1544  1.881769       11.12046 
1 1 1 -22 -36 40 o 16.523  7.8014  9.2404     81.925   -80.4894   194.570  28.576     90.322   18.041  9.1191  17.598  8.2726  0.4432526      12.31236 
1 1 1 -22 -36 41 o 18.901  8.5829  62.275     85.615   209.683    187.574  23.484     96.222   22.178  10.805  17.548  8.3350  4.630600       13.64622 
1 1 1 -22 -36 42 o 21.679  9.4063  117.610    91.700   79.189     212.300  126.423    101.674  19.909  9.9960  21.789  9.6632  -1.880165      13.90320 
1 1 1 -22 -36 43 o 20.377  8.0947  82.669     59.799   129.322    125.615  68.999     67.999   21.238  9.9097  19.135  8.1992  2.102968       12.86191 
1 1 1 -22 -36 44 o 13.958  6.5588  -9.9204    56.670   59.504     125.923  -27.5522   63.460   19.086  9.1897  13.778  6.6055  5.308349       11.31744 
1 1 1 -22 -36 45 f 21.016  8.2505  90.977     61.445   94.355     124.407  89.887     70.666   20.065  9.5151  20.544  8.5554  -0.4785042     12.79583 
1 1 1 -22 -36 46 o 17.120  7.4853  41.835     59.018   -45.7702   122.103  68.542     67.416   16.538  8.1854  19.080  8.1694  -2.541430      11.56461 
1 1 1 -22 -36 47 o 21.343  8.2277  93.467     60.249   51.243     127.457  105.616    68.370   18.899  9.1356  21.927  8.6727  -3.027773      12.59659 
1 1 1 -22 -36 48 o 16.695  7.4226  34.224     60.351   82.445     130.039  20.986     68.134   19.784  9.4777  16.300  7.4972  3.484768       12.08448 
1 1 1 -22 -36 49 o 26.816  8.8225  152.815    66.472   117.261    139.671  163.225    75.580   20.765  9.9134  26.483  9.3891  -5.717993      13.65397 
1 1 1 -22 -36 50 o 18.368  7.8536  57.710     62.151   122.358    135.859  40.599     69.893   20.939  9.9335  17.439  7.8524  3.499342       12.66234 
1 1 1 -22 -36 51 o 23.977  11.469  303.203    188.803  303.203    188.803  0.0000     0.0000   23.977  11.469  ?       ?       0.000000       11.46881 
1 1 1 -22 -36 52 o 24.213  11.688  362.025    206.837  362.025    206.837  0.0000     0.0000   24.213  11.688  ?       ?       0.000000       11.68765 
1 1 1 -22 -36 53 o 20.367  9.8619  122.674    150.069  122.674    150.069  0.0000     0.0000   20.367  9.8619  ?       ?       0.000000       9.861933 
1 1 1 -22 -36 54 o 16.845  7.5263  40.052     62.865   66.064     134.723  32.812     71.078   18.814  9.1641  16.704  7.6738  2.109991       11.95274 
1 1 1 -22 -36 55 f 12.882  6.3477  -64.0775   70.620   -197.9819  130.444  -8.5571    83.995   14.098  7.1602  15.412  7.4416  -1.314304      10.32694 
1 1 1 -22 -36 56 o 13.844  6.8645  -65.7147   87.314   -75.6593   220.092  -63.8573   95.119   ?       ?       14.313  7.1085  0.000000       7.108545 
1 1 1 -22 -35 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -35 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -35 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -35 4  o 17.103  7.6636  38.445     65.681   0.0000     0.0000   38.445     65.681   ?       ?       17.103  7.6636  0.000000       7.663630 
1 1 1 -22 -35 5  o 23.201  8.6839  116.817    65.923   0.0000     0.0000   116.817    65.923   ?       ?       23.201  8.6839  0.000000       8.683870 
1 1 1 -22 -35 6  o 9.2927  4.5641  -53.7167   35.553   0.0000     0.0000   -53.7167   35.553   ?       ?       9.2927  4.5641  0.000000       4.564115 
1 1 1 -22 -35 7  o 12.875  5.9503  -6.8227    43.652   0.0000     0.0000   -6.8227    43.652   ?       ?       12.875  5.9503  0.000000       5.950285 
1 1 1 -22 -35 8  o 11.903  5.6566  -25.6757   44.421   0.0000     0.0000   -25.6757   44.421   ?       ?       11.903  5.6566  0.000000       5.656606 
1 1 1 -22 -35 9  f 26.876  8.0599  139.141    56.731   0.0000     0.0000   139.141    56.731   ?       ?       26.876  8.0599  0.000000       8.059860 
1 1 1 -22 -35 10 o 24.716  7.7535  115.456    51.756   28.192     188.315  122.587    53.829   19.168  9.5940  25.299  7.9025  -6.131065      12.42960 
1 1 1 -22 -35 11 o 49.194  5.6005  365.327    65.658   270.691    150.509  387.570    72.968   25.313  11.449  49.647  6.1917  -24.33470      13.01572 
1 1 1 -22 -35 12 o 11.120  5.3887  -44.3444   45.003   0.0307     117.874  -51.9163   48.691   17.531  8.5464  11.300  5.5052  6.231230       10.16604 
1 1 1 -22 -35 13 o 15.098  6.9006  10.389     56.491   90.400     197.073  3.2261     58.965   20.200  10.065  14.888  6.8928  5.312054       12.19859 
1 1 1 -22 -35 14 o 17.239  7.4930  41.549     58.391   19.461     158.426  45.021     62.813   18.896  9.3472  17.616  7.7115  1.280367       12.11770 
1 1 1 -22 -35 15 o 18.822  7.5938  61.488     53.478   151.851    166.498  51.093     56.471   21.682  10.471  17.957  7.5740  3.725075       12.92298 
1 1 1 -22 -35 16 o 30.926  7.9712  174.547    60.194   157.903    171.572  176.883    64.280   21.895  10.587  30.370  8.4266  -8.475090      13.53144 
1 1 1 -22 -35 17 o 25.905  8.2275  129.339    58.118   147.891    125.474  124.271    65.576   22.653  10.327  24.433  8.7368  -1.780132      13.52668 
1 1 1 -22 -35 18 o 22.528  8.5517  102.773    64.441   142.062    121.114  87.259     76.108   22.693  10.266  20.843  8.7921  1.850122       13.51665 
1 1 1 -22 -35 19 o 19.932  7.7248  70.263     53.328   -2.7058    112.165  91.575     60.617   17.787  8.5910  21.769  8.2868  -3.981373      11.93634 
1 1 1 -22 -35 20 o 13.640  6.5422  -36.7065   62.396   -343.4268  161.432  17.164     67.654   ?       ?       16.538  7.5560  0.000000       7.556048 
1 1 1 -22 -35 21 o 32.285  9.9153  225.866    85.149   340.961    184.490  194.712    95.984   27.326  12.482  27.825  10.466  -0.4987888     16.28933 
1 1 1 -22 -35 22 o 42.192  9.4954  346.634    94.861   1019.90    200.757  153.103    107.635  61.247  13.835  24.268  10.355  36.97974       17.28117 
1 1 1 -22 -35 23 o 28.131  7.6572  137.703    53.667   46.196     114.555  163.434    60.745   19.652  9.2623  30.148  8.1217  -10.49585      12.31879 
1 1 1 -22 -35 24 o 16.839  6.9387  37.395     45.793   63.678     101.854  30.737     51.266   20.135  9.2263  16.569  7.1100  3.566051       11.64798 
1 1 1 -22 -35 25 o 10.977  5.3206  -49.1309   43.943   -36.0990   101.417  -52.1432   48.758   16.692  8.0888  11.534  5.5938  5.158112       9.834593 
1 1 1 -22 -35 26 o 11.540  5.5455  -40.9684   45.292   32.229     103.577  -58.2731   50.362   19.015  8.9134  11.517  5.6083  7.498098       10.53098 
1 1 1 -22 -35 27 f 15.769  6.8454  22.252     48.615   -41.0599   113.664  36.427     53.782   17.229  8.3975  17.213  7.3315  0.1620293E-01  11.14760 
1 1 1 -22 -35 28 o 14.043  6.4232  -3.2244    49.057   -118.8736  124.210  18.150     53.398   16.116  8.0232  15.844  7.0161  0.2715635      10.65819 
1 1 1 -22 -35 29 o 9.5762  4.7615  -84.4619   43.188   -119.4522  94.994   -75.3452   48.489   14.253  7.0830  10.657  5.2530  3.596096       8.818347 
1 1 1 -22 -35 30 o 20.144  7.6163  68.702     50.985   152.053    107.843  44.708     57.860   24.559  10.418  18.047  7.6422  6.511732       12.92073 
1 1 1 -22 -35 31 o 18.891  7.5057  56.496     51.425   31.568     109.206  63.599     58.292   19.174  9.0390  19.606  7.9219  -0.4323921     12.01917 
1 1 1 -22 -35 32 o 16.875  7.2131  33.343     52.396   -33.1516   142.518  43.735     56.341   18.502  9.0976  17.885  7.5556  0.6171093      11.82602 
1 1 1 -22 -35 33 o 21.699  8.8274  91.402     72.935   160.778    150.592  70.141     83.364   23.502  10.927  20.239  8.8713  3.263350       14.07506 
1 1 1 -22 -35 34 o 23.176  9.0831  111.142    74.363   130.024    146.315  104.566    86.347   22.523  10.569  22.269  9.3777  0.2537289      14.12971 
1 1 1 -22 -35 35 o 23.050  9.3745  115.025    82.226   259.522    157.738  61.108     96.354   26.461  11.865  19.853  9.0500  6.607990       14.92270 
1 1 1 -22 -35 36 o 30.212  8.4951  171.070    64.876   272.736    123.017  131.900    76.358   30.101  11.714  24.664  9.3219  5.436283       14.97047 
1 1 1 -22 -35 37 o 14.426  6.6286  -1.5023    53.081   68.082     110.468  -22.3911   60.526   20.172  9.3722  14.079  6.6649  6.092526       11.50043 
1 1 1 -22 -35 38 o 30.097  8.2077  166.660    61.593   226.758    121.597  145.918    71.436   27.087  11.247  26.260  9.1423  0.8269634      14.49388 
1 1 1 -22 -35 39 o 28.093  8.3377  149.889    60.944   32.548     123.153  187.944    70.133   19.046  9.1502  30.837  8.8869  -11.79103      12.75552 
1 1 1 -22 -35 40 o 18.613  8.2785  52.083     75.142   105.840    121.412  18.708     95.666   21.250  9.8568  17.755  8.3975  3.494614       12.94894 
1 1 1 -22 -35 41 o 21.843  9.3791  109.696    89.317   0.0006     190.447  140.626    101.128  19.334  9.6729  23.177  9.9667  -3.842621      13.88886 
1 1 1 -22 -35 42 o 16.939  7.9745  12.370     84.461   385.244    187.138  -83.0131   94.649   27.269  12.499  14.657  7.2457  12.61243       14.44754 
1 1 1 -22 -35 43 o 20.666  8.8576  89.353     79.396   78.400     129.127  96.011     100.677  20.055  9.5627  20.740  9.3736  -0.6850548     13.39065 
1 1 1 -22 -35 44 o 24.653  8.5043  124.499    61.744   116.604    122.793  127.171    71.432   21.226  9.8684  23.894  9.0196  -2.667662      13.36936 
1 1 1 -22 -35 45 o 16.000  7.2048  22.181     58.855   -42.2694   124.304  40.805     66.819   16.910  8.3489  17.485  7.7897  -0.5754032     11.41858 
1 1 1 -22 -35 46 o 22.484  8.4801  105.170    63.107   46.527     127.170  124.329    72.688   19.027  9.1793  23.469  9.0401  -4.442274      12.88344 
1 1 1 -22 -35 47 o 31.386  9.1231  205.040    73.626   357.057    237.807  188.923    77.431   23.713  11.677  28.940  9.5221  -5.227049      15.06760 
1 1 1 -22 -35 48 o 15.729  7.0874  19.558     57.054   81.105     126.677  3.8966     63.902   20.010  9.5220  15.321  7.1218  4.689045       11.89068 
1 1 1 -22 -35 49 o 12.053  5.8549  -50.2444   53.997   -26.5865   122.707  -55.9257   60.132   17.212  8.4589  12.523  6.1047  4.689030       10.43165 
1 1 1 -22 -35 50 o 19.237  9.7314  -25.6818   225.186  -25.6818   225.186  0.0000     0.0000   19.237  9.7314  ?       ?       0.000000       9.731432 
1 1 1 -22 -35 51 o 21.162  10.314  129.697    171.492  129.697    171.492  0.0000     0.0000   21.162  10.314  ?       ?       0.000000       10.31443 
1 1 1 -22 -35 52 o 21.414  10.448  149.263    177.203  149.263    177.203  0.0000     0.0000   21.414  10.448  ?       ?       0.000000       10.44794 
1 1 1 -22 -35 53 o 26.474  8.9162  150.803    67.808   44.657     140.159  183.239    77.479   19.048  9.2930  28.223  9.5307  -9.175510      13.31142 
1 1 1 -22 -35 54 o 24.091  8.5976  124.365    63.474   375.978    155.042  73.701     69.571   28.932  12.388  19.413  8.3051  9.519217       14.91462 
1 1 1 -22 -35 55 o 14.849  6.8171  10.234     55.973   231.069    138.150  -33.1371   61.223   23.934  10.882  13.263  6.3913  10.67095       12.61981 
1 1 1 -22 -35 56 o 17.158  8.1090  33.593     88.899   -71.9979   252.899  48.480     94.959   ?       ?       17.826  8.4111  0.000000       8.411122 
1 1 1 -22 -34 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -34 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -34 3  o 21.386  8.3681  92.784     63.040   0.0000     0.0000   92.784     63.040   ?       ?       21.386  8.3681  0.000000       8.368052 
1 1 1 -22 -34 4  o 14.020  5.6652  23.208     29.813   0.0000     0.0000   23.208     29.813   ?       ?       14.020  5.6652  0.000000       5.665180 
1 1 1 -22 -34 5  o 14.114  6.3521  7.6124     45.667   0.0000     0.0000   7.6124     45.667   ?       ?       14.114  6.3521  0.000000       6.352065 
1 1 1 -22 -34 6  o 15.025  6.4233  23.910     41.558   0.0000     0.0000   23.910     41.558   ?       ?       15.025  6.4233  0.000000       6.423252 
1 1 1 -22 -34 7  o 20.944  7.6664  81.557     50.871   0.0000     0.0000   81.557     50.871   ?       ?       20.944  7.6664  0.000000       7.666428 
1 1 1 -22 -34 8  o 13.129  6.0596  -6.1513    45.056   0.0000     0.0000   -6.1513    45.056   ?       ?       13.129  6.0596  0.000000       6.059630 
1 1 1 -22 -34 9  o 19.060  7.2390  62.862     46.190   -180.4078  113.864  110.781    50.535   14.023  7.0755  24.517  7.6567  -10.49406      10.42538 
1 1 1 -22 -34 10 o 12.960  5.9456  -4.4032    42.473   -28.7034   122.074  -1.0564    45.304   17.211  8.4540  13.492  6.1717  3.718469       10.46708 
1 1 1 -22 -34 11 o 31.207  7.5645  170.736    56.683   283.112    132.824  145.712    62.677   28.284  11.750  27.044  8.5393  1.239880       14.52523 
1 1 1 -22 -34 12 o 13.347  6.0807  -0.8562    43.422   135.742    117.722  -22.3668   46.716   22.379  10.123  12.472  5.8894  9.906415       11.71154 
1 1 1 -22 -34 13 o 25.994  8.4142  132.153    60.566   101.319    114.813  144.042    71.292   21.159  9.7323  25.888  9.1253  -4.729250      13.34121 
1 1 1 -22 -34 14 o 30.024  9.8501  201.715    82.880   259.016    170.302  183.932    94.872   25.152  11.669  26.827  10.329  -1.675192      15.58421 
1 1 1 -22 -34 15 o 13.872  6.6556  -36.7687   64.690   -173.8515  154.707  -7.7220    71.214   16.420  8.2806  15.604  7.3388  0.8159542      11.06465 
1 1 1 -22 -34 16 o 15.966  7.0033  22.885     52.037   5.3256     112.159  27.702     58.742   18.236  8.7534  16.729  7.3856  1.507462       11.45294 
1 1 1 -22 -34 17 o 37.136  7.2982  226.597    63.417   342.088    129.218  189.955    72.785   34.286  12.264  31.123  9.0778  3.162928       15.25798 
1 1 1 -22 -34 18 o 33.611  6.8462  179.972    53.938   259.317    119.336  159.601    60.467   30.279  11.603  29.900  8.1233  0.3791637      14.16401 
1 1 1 -22 -34 19 o 16.497  6.7144  34.899     42.224   -252.7956  105.288  90.036     46.093   12.817  6.5018  23.021  7.3288  -10.20334      9.797159 
1 1 1 -22 -34 20 o 14.816  6.4373  15.457     43.067   114.903    101.335  -6.4636    47.577   22.959  9.9250  13.739  6.2993  9.220199       11.75524 
1 1 1 -22 -34 21 o 20.839  8.8308  75.299     77.344   190.634    168.868  44.681     87.006   24.676  11.506  19.280  8.7137  5.396029       14.43308 
1 1 1 -22 -34 22 o 15.538  7.3347  -19.8398   72.355   -68.5841   161.938  -7.6816    80.876   18.846  9.3453  16.670  7.8337  2.176748       12.19430 
1 1 1 -22 -34 23 o 21.193  8.9341  78.620     78.510   303.509    175.954  22.716     87.727   28.441  12.658  18.390  8.4766  10.05064       15.23389 
1 1 1 -22 -34 24 o 26.419  7.6549  118.591    51.909   202.437    107.792  93.276     59.229   28.535  11.004  22.805  8.2837  5.730200       13.77334 
1 1 1 -22 -34 25 o 14.864  6.5566  10.722     46.195   23.545     102.543  7.4574     51.743   19.129  8.9350  15.184  6.8030  3.944788       11.23007 
1 1 1 -22 -34 26 o 21.743  7.7275  80.047     51.225   -9.0055    123.116  98.691     56.333   18.923  9.1053  23.614  8.1244  -4.690659      12.20299 
1 1 1 -22 -34 27 o 17.681  7.2502  40.981     49.694   143.923    135.668  25.029     53.406   24.225  10.921  16.589  7.1881  7.635876       13.07425 
1 1 1 -22 -34 28 o 12.210  5.7865  -31.5700   45.876   -123.9360  101.989  -8.1405    51.366   14.933  7.4069  14.190  6.5206  0.7430744      9.868156 
1 1 1 -22 -34 29 o 13.746  6.3268  -10.2696   48.631   116.036    99.750   -49.6505   55.699   23.517  9.9997  12.686  6.1092  10.83035       11.71820 
1 1 1 -22 -34 30 o 16.697  7.1073  29.139     50.485   -20.7248   104.191  44.438     57.713   17.725  8.4892  18.338  7.6915  -0.6127701     11.45538 
1 1 1 -22 -34 31 o 12.312  5.8372  -31.8294   46.773   -10.9952   103.229  -37.2117   52.468   17.965  8.5618  12.805  6.1029  5.160273       10.51424 
1 1 1 -22 -34 32 o 22.644  8.0278  89.860     55.252   -46.0334   108.982  136.873    64.101   17.212  8.3512  27.197  8.6409  -9.984814      12.01701 
1 1 1 -22 -34 33 f 32.858  7.6667  179.591    60.006   331.250    121.529  130.696    69.005   36.392  11.927  25.979  8.9888  10.41290       14.93506 
1 1 1 -22 -34 34 o 14.763  7.1560  -58.1510   79.514   -30.2690   126.077  -76.5662   102.462  18.356  8.9238  15.961  7.8207  2.395228       11.86582 
1 1 1 -22 -34 35 o 16.905  7.9948  -10.7050   86.700   -104.5541  144.834  41.707     108.235  17.568  8.7326  19.824  9.2328  -2.256750      12.70840 
1 1 1 -22 -34 36 o 15.437  7.4096  -37.8125   80.338   -67.1988   134.941  -21.6771   99.990   17.784  8.7653  17.250  8.2759  0.5345173      12.05486 
1 1 1 -22 -34 37 o 19.574  8.0214  61.609     60.780   -58.4320   115.978  107.061    71.365   17.034  8.3409  23.270  8.9591  -6.236355      12.24076 
1 1 1 -22 -34 38 o 15.786  7.0652  14.339     55.646   231.621    116.740  -49.5455   63.300   28.852  11.358  13.400  6.4674  15.45246       13.06999 
1 1 1 -22 -34 39 o 19.500  7.9872  62.479     60.229   83.176     151.982  58.623     65.600   21.326  10.224  19.273  8.1480  2.052341       13.07358 
1 1 1 -22 -34 40 o 13.087  6.2046  -27.7605   52.826   -76.4449   111.096  -13.5368   60.049   16.149  7.9581  14.519  6.7996  1.630109       10.46739 
1 1 1 -22 -34 41 o 16.862  7.9306  3.3928     83.178   211.292    181.268  -52.0583   93.616   23.879  11.370  15.650  7.6266  8.228643       13.69134 
1 1 1 -22 -34 42 o 19.483  8.7889  60.166     88.035   57.555     190.480  60.875     99.273   20.592  10.197  19.692  9.0546  0.8997269      13.63705 
1 1 1 -22 -34 43 o 27.860  10.602  204.327    99.210   -136.9307  220.783  290.667    111.053  18.552  9.4112  32.762  11.399  -14.21090      14.78225 
1 1 1 -22 -34 44 o 15.292  6.9390  10.863     55.823   10.630     124.972  10.921     62.394   18.460  8.9533  15.772  7.2249  2.687457       11.50487 
1 1 1 -22 -34 45 o 23.373  8.4488  109.664    61.505   107.609    129.680  110.260    69.862   21.212  9.9526  22.809  8.8412  -1.597845      13.31240 
1 1 1 -22 -34 46 o 19.772  8.1103  71.548     62.212   -52.3882   127.589  110.204    71.256   17.030  8.4177  22.671  8.8896  -5.640957      12.24266 
1 1 1 -22 -34 47 o 54.177  6.9763  480.275    89.577   215.517    260.990  515.629    95.371   21.995  11.049  55.613  7.2393  -33.61743      13.20918 
1 1 1 -22 -34 48 o 18.409  8.3072  48.289     78.721   26.620     136.279  59.140     96.439   18.951  9.2277  19.252  8.8787  -0.3010559     12.80556 
1 1 1 -22 -34 49 o 18.502  8.9914  14.415     127.692  14.415     127.692  0.0000     0.0000   18.502  8.9914  ?       ?       0.000000       8.991449 
1 1 1 -22 -34 50 o 20.723  9.9092  93.038     140.710  93.038     140.710  0.0000     0.0000   20.723  9.9092  ?       ?       0.000000       9.909176 
1 1 1 -22 -34 51 o 26.101  10.021  169.481    89.109   276.652    147.167  107.446    111.967  26.926  11.795  21.399  9.7550  5.527594       15.30638 
1 1 1 -22 -34 52 o 20.267  8.9239  80.151     85.204   241.687    182.602  35.192     96.333   23.871  11.379  18.363  8.6039  5.507761       14.26582 
1 1 1 -22 -34 53 o 13.345  6.5635  -75.3955   74.354   498.462    192.189  -176.4079  80.633   30.852  13.498  11.701  5.9100  19.15140       14.73507 
1 1 1 -22 -34 54 o 11.351  5.5414  -56.5176   50.054   42.590     134.792  -72.3700   53.908   19.147  9.2896  11.284  5.5572  7.863787       10.82492 
1 1 1 -22 -34 55 o 16.942  7.3226  39.828     55.142   202.644    147.835  13.515     59.431   23.204  10.801  15.464  7.0718  7.740525       12.91052 
1 1 1 -22 -34 56 f 21.122  9.4726  116.836    100.583  515.176    239.026  31.122     110.877  25.381  12.327  17.952  8.6389  7.428715       15.05273 
1 1 1 -22 -34 57 o 18.976  8.7372  75.478     92.861   12.329     260.132  84.700     99.411   ?       ?       19.334  8.9507  0.000000       8.950720 
1 1 1 -22 -33 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -33 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -33 3  o 26.525  8.7671  142.961    65.611   0.0000     0.0000   142.961    65.611   ?       ?       26.525  8.7671  0.000000       8.767116 
1 1 1 -22 -33 4  o 7.2042  3.4061  -15.0510   15.716   0.0000     0.0000   -15.0510   15.716   ?       ?       7.2042  3.4061  0.000000       3.406128 
1 1 1 -22 -33 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -33 6  o 14.191  6.4551  3.4987     48.693   0.0000     0.0000   3.4987     48.693   ?       ?       14.191  6.4551  0.000000       6.455110 
1 1 1 -22 -33 7  o 32.471  7.1008  175.973    54.388   0.0000     0.0000   175.973    54.388   ?       ?       32.471  7.1008  0.000000       7.100835 
1 1 1 -22 -33 8  o 18.216  7.0870  53.651     45.018   -25.4854   164.767  60.035     46.798   18.655  9.2797  18.899  7.2604  -0.2440701     11.78246 
1 1 1 -22 -33 9  o 21.947  7.4503  85.849     47.349   58.472     115.217  91.412     51.937   19.683  9.2807  22.257  7.7927  -2.573481      12.11855 
1 1 1 -22 -33 10 o 14.971  6.5763  16.963     46.027   76.877     116.770  5.9423     50.082   20.436  9.5418  14.559  6.5927  5.876782       11.59779 
1 1 1 -22 -33 11 o 22.881  7.9605  96.934     54.155   84.260     127.769  99.709     59.792   20.869  9.8196  22.769  8.3150  -1.900183      12.86716 
1 1 1 -22 -33 12 o 18.533  7.1075  54.618     44.800   -24.8246   110.113  70.378     49.043   17.335  8.4071  20.239  7.5068  -2.904003      11.27081 
1 1 1 -22 -33 13 f 21.962  7.7980  85.896     52.153   36.730     152.831  92.376     55.484   20.220  9.8286  22.493  8.0371  -2.273634      12.69630 
1 1 1 -22 -33 14 o 14.055  6.7137  -35.4113   64.256   -22.2523   141.367  -38.8380   72.139   18.816  9.2124  14.654  7.0302  4.162016       11.58844 
1 1 1 -22 -33 15 o 24.623  9.7523  132.315    86.563   228.560    165.745  96.217     101.506  25.855  11.818  22.004  9.7121  3.850809       15.29708 
1 1 1 -22 -33 16 o 14.347  6.6342  -9.8316    54.384   -23.5005   157.143  -7.9717    57.967   19.521  9.5894  14.810  6.8487  4.711516       11.78395 
1 1 1 -22 -33 17 o 16.926  6.4136  40.078     36.204   -88.5966   107.663  56.484     38.443   16.057  7.8976  19.102  6.7035  -3.045086      10.35900 
1 1 1 -22 -33 18 o 21.241  6.9906  72.564     41.732   -3.2943    105.476  86.643     45.440   18.369  8.7255  22.916  7.2747  -4.547148      11.36027 
1 1 1 -22 -33 19 o 47.044  5.4820  315.577    61.402   382.930    122.872  293.159    70.888   41.043  11.744  43.496  6.9508  -2.452950      13.64671 
1 1 1 -22 -33 20 o 46.912  5.4583  312.725    60.969   322.991    122.027  309.310    70.384   36.474  11.951  45.206  6.6122  -8.732220      13.65868 
1 1 1 -22 -33 21 o 40.199  9.6644  300.703    93.104   217.173    182.672  330.016    108.214  26.273  12.153  39.902  10.878  -13.62810      16.31035 
1 1 1 -22 -33 22 o 33.985  10.161  231.180    90.263   362.626    185.902  190.632    103.251  31.425  13.513  28.856  10.855  2.568331       17.33311 
1 1 1 -22 -33 23 o 22.344  9.1072  87.572     77.820   224.501    163.932  47.739     88.417   27.363  12.195  20.064  8.9481  7.298723       15.12569 
1 1 1 -22 -33 24 o 22.403  7.6416  82.523     49.813   17.855     103.161  102.186    56.884   19.377  9.0209  24.355  8.1667  -4.978434      12.16841 
1 1 1 -22 -33 25 o 14.248  6.4109  -0.7991    46.493   -78.3523   115.870  14.083     50.758   17.178  8.3955  15.766  6.9163  1.411373       10.87745 
1 1 1 -22 -33 26 o 21.990  7.6219  78.739     49.625   -12.5880   105.394  104.754    56.250   18.448  8.7512  24.747  8.1147  -6.298338      11.93444 
1 1 1 -22 -33 27 o 20.707  7.6476  67.760     50.792   44.117     103.415  75.276     58.309   20.520  9.3625  21.462  8.1377  -0.9417667     12.40475 
1 1 1 -22 -33 28 o 16.432  6.9982  24.429     48.998   -146.5366  106.590  70.235     55.172   15.061  7.4873  20.964  7.9238  -5.903439      10.90165 
1 1 1 -22 -33 29 o 17.264  7.1694  33.777     49.425   -91.3970   101.941  72.244     56.511   15.946  7.8106  21.161  8.0142  -5.215452      11.19074 
1 1 1 -22 -33 30 o 16.497  6.9999  25.648     48.702   -12.3094   103.528  36.435     55.190   18.346  8.6940  17.846  7.5052  0.4995365      11.48537 
1 1 1 -22 -33 31 o 18.047  7.3468  41.944     50.564   75.015     106.414  32.300     57.465   21.927  9.7949  17.649  7.5492  4.278469       12.36651 
1 1 1 -22 -33 32 o 22.397  8.3015  85.573     59.957   263.754    107.785  5.7323     72.150   34.399  11.230  17.030  7.7895  17.36869       13.66749 
1 1 1 -22 -33 33 o 43.270  6.7883  284.726    68.926   353.372    124.104  254.106    82.885   39.027  11.968  37.642  9.1614  1.385284       15.07185 
1 1 1 -22 -33 34 o 48.777  8.2747  395.615    94.433   350.231    134.551  439.672    132.568  36.735  12.559  44.207  12.035  -7.472584      17.39472 
1 1 1 -22 -33 35 o 43.348  10.066  358.480    103.844  324.319    170.028  378.803    131.144  30.741  13.063  39.343  12.342  -8.601717      17.97153 
1 1 1 -22 -33 36 o 42.706  10.172  353.577    103.898  504.237    171.049  265.488    130.792  40.120  14.135  31.000  12.074  9.120659       18.59035 
1 1 1 -22 -33 37 o 33.111  8.1581  187.632    65.118   238.330    123.977  168.316    76.524   29.746  11.706  29.234  9.4574  0.5117455      15.04904 
1 1 1 -22 -33 38 o 20.618  8.0184  70.632     57.613   123.849    113.210  52.033     66.928   23.652  10.353  19.237  8.1856  4.415276       13.19835 
1 1 1 -22 -33 39 o 18.074  7.6233  42.382     57.209   130.639    119.022  15.865     65.240   23.719  10.490  16.764  7.5638  6.955280       12.93286 
1 1 1 -22 -33 40 o 21.872  8.2097  85.459     59.002   99.831     118.452  80.716     68.044   22.212  10.090  21.263  8.5703  0.9486256      13.23854 
1 1 1 -22 -33 41 o 25.237  10.146  148.709    95.104   212.293    210.087  132.320    106.659  24.202  11.706  23.732  10.221  0.4701767      15.54028 
1 1 1 -22 -33 42 o 20.112  9.0127  64.073     90.863   109.396    208.170  53.405     100.991  22.117  10.898  19.820  9.1207  2.296568       14.21118 
1 1 1 -22 -33 43 o 24.417  9.9991  141.532    94.367   -40.7820   200.674  193.294    106.927  19.679  9.8576  26.962  10.787  -7.283602      14.61273 
1 1 1 -22 -33 44 o 26.059  8.6345  132.806    63.627   24.271     131.933  165.700    72.632   19.329  9.3310  28.386  9.2167  -9.056910      13.11544 
1 1 1 -22 -33 45 o 13.950  6.5606  -17.7411   56.911   158.055    115.198  -74.4976   65.456   24.043  10.486  12.662  6.2138  11.38093       12.18917 
1 1 1 -22 -33 46 o 27.144  8.7795  147.208    65.948   184.095    132.928  135.165    75.955   24.325  10.901  24.810  9.3144  -0.4855652     14.33823 
1 1 1 -22 -33 47 o 18.154  8.8888  -15.2964   131.655  -15.2964   131.655  0.0000     0.0000   18.154  8.8888  ?       ?       0.000000       8.888784 
1 1 1 -22 -33 48 o 25.885  11.599  249.617    150.446  249.617    150.446  0.0000     0.0000   25.885  11.599  ?       ?       0.000000       11.59867 
1 1 1 -22 -33 49 o 23.645  11.701  299.442    249.108  299.442    249.108  0.0000     0.0000   23.645  11.701  ?       ?       0.000000       11.70091 
1 1 1 -22 -33 50 o 32.656  8.8064  205.563    71.376   292.464    148.967  179.668    81.317   27.856  12.038  28.190  9.7576  -0.3343678     15.49560 
1 1 1 -22 -33 51 o 14.959  6.8066  6.3320     54.190   5.7084     144.022  6.4349     58.488   18.972  9.2909  15.315  7.0082  3.656441       11.63767 
1 1 1 -22 -33 52 o 12.870  6.2996  -68.7402   65.951   38.631     169.411  -87.9194   71.600   20.077  9.8809  12.868  6.3502  7.209115       11.74556 
1 1 1 -22 -33 53 o 16.660  7.6161  18.564     68.858   83.212     179.085  7.3483     74.592   20.913  10.266  16.450  7.6624  4.463087       12.81005 
1 1 1 -22 -33 54 o 16.357  7.2110  27.166     55.794   97.141     139.874  13.926     60.844   21.003  9.9975  15.852  7.2128  5.150926       12.32782 
1 1 1 -22 -33 55 o 23.647  8.5191  113.713    62.460   351.669    155.261  67.767     68.224   29.274  12.462  19.447  8.2696  9.826422       14.95640 
1 1 1 -22 -33 56 o 15.817  7.6867  -31.1473   93.313   -77.4068   247.707  -23.4970   100.734  ?       ?       16.398  7.9728  0.000000       7.972815 
1 1 1 -22 -33 57 o 18.898  8.6713  64.409     90.400   -184.1096  238.886  105.946    97.662   ?       ?       20.773  9.3239  0.000000       9.323929 
1 1 1 -22 -32 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -32 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -32 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -32 4  o 13.165  5.0513  21.055     22.635   0.0000     0.0000   21.055     22.635   ?       ?       13.165  5.0513  0.000000       5.051309 
1 1 1 -22 -32 5  o 69.105  5.8148  714.274    96.594   0.0000     0.0000   714.274    96.594   ?       ?       69.105  5.8148  0.000000       5.814750 
1 1 1 -22 -32 6  o 12.075  5.6831  -21.9114   42.844   21.137     136.578  -26.6098   45.121   19.189  9.3191  12.131  5.7461  7.058066       10.94821 
1 1 1 -22 -32 7  o 24.747  6.9850  102.598    43.774   159.796    150.205  97.289     45.761   23.080  10.792  23.753  7.2644  -0.6725712     13.00895 
1 1 1 -22 -32 8  o 18.065  6.6881  50.884     38.893   -131.7618  97.255   85.656     42.434   14.065  7.0176  22.566  7.0112  -8.500906      9.919837 
1 1 1 -22 -32 9  o 13.332  6.0236  -0.4533    41.543   -45.6448   188.588  1.8514     42.589   19.398  9.6931  13.621  6.1316  5.777529       11.46964 
1 1 1 -22 -32 10 o 25.462  7.8121  114.643    52.873   110.663    124.248  115.522    58.427   22.300  10.208  24.955  8.2744  -2.655365      13.14023 
1 1 1 -22 -32 11 o 15.881  6.6440  27.700     42.894   -87.4590   118.613  45.025     46.007   16.561  8.1727  17.742  7.0836  -1.181599      10.81530 
1 1 1 -22 -32 12 o 13.522  6.0363  2.3831     40.338   -105.6553  102.907  21.997     43.847   15.296  7.5603  15.504  6.6120  -0.2081251     10.04378 
1 1 1 -22 -32 13 o 17.512  7.2911  38.397     51.307   -131.1458  109.663  85.908     58.053   15.300  7.6043  22.121  8.1747  -6.821099      11.16474 
1 1 1 -22 -32 14 o 18.863  8.1935  43.645     69.734   -48.7971   105.477  115.424    92.944   17.049  8.2584  23.736  9.8422  -6.687334      12.84795 
1 1 1 -22 -32 15 o 23.856  9.6724  112.866    87.224   223.689    166.387  70.869     102.426  26.854  12.101  21.400  9.5809  5.454609       15.43500 
1 1 1 -22 -32 16 o 20.510  8.2141  66.198     62.072   102.652    154.277  59.157     67.802   23.252  10.893  20.060  8.3694  3.192024       13.73670 
1 1 1 -22 -32 17 o 16.538  6.5333  33.992     38.755   60.351     101.324  29.474     41.945   21.124  9.4882  16.292  6.6684  4.832617       11.59719 
1 1 1 -22 -32 18 o 23.520  7.0381  87.513     43.293   222.897    105.659  60.197     47.460   31.538  11.110  19.876  7.3822  11.66224       13.33887 
1 1 1 -22 -32 19 o 29.188  7.1679  133.810    50.393   242.671    106.336  102.280    57.228   33.279  11.166  24.506  8.1914  8.772865       13.84819 
1 1 1 -22 -32 20 o 25.284  7.4920  103.247    49.236   102.680    101.925  103.420    56.232   23.648  10.083  24.769  8.1129  -1.120373      12.94178 
1 1 1 -22 -32 21 o 26.645  7.5640  114.557    51.180   214.492    105.703  83.954     58.493   31.321  11.104  22.553  8.2260  8.767380       13.81882 
1 1 1 -22 -32 22 o 13.759  6.6527  -65.6139   67.707   114.597    156.528  -107.0928  75.096   24.470  11.294  13.289  6.5477  11.18084       13.05499 
1 1 1 -22 -32 23 o 17.716  7.9920  12.377     72.803   -22.9337   156.057  22.200     82.308   20.752  10.050  18.863  8.5049  1.888374       13.16610 
1 1 1 -22 -32 24 o 20.488  8.6492  56.051     73.746   -158.0870  162.695  111.425    82.733   18.487  9.2000  24.698  9.6078  -6.211185      13.30226 
1 1 1 -22 -32 25 o 17.253  7.1150  32.295     48.198   138.244    101.102  1.1344     54.829   26.222  10.490  15.493  6.9675  10.72896       12.59283 
1 1 1 -22 -32 26 o 29.347  7.6213  137.269    54.754   242.312    108.728  101.579    63.377   33.661  11.291  24.414  8.6040  9.246559       14.19532 
1 1 1 -22 -32 27 f 17.079  7.0414  31.129     47.188   44.855     98.468   27.037     53.764   20.846  9.3592  17.248  7.3378  3.598433       11.89275 
1 1 1 -22 -32 28 o 25.407  7.7763  104.751    52.425   65.359     104.935  117.853    60.519   22.039  9.7935  26.384  8.3974  -4.345457      12.90073 
1 1 1 -22 -32 29 o 13.139  6.1228  -23.5575   47.702   -79.4077   101.562  -7.7492    54.033   16.503  8.0198  14.861  6.7756  1.641694       10.49884 
1 1 1 -22 -32 30 o 18.575  7.6818  41.324     56.402   39.580     105.773  42.017     66.671   20.850  9.4959  19.194  8.1688  1.656092       12.52605 
1 1 1 -22 -32 31 f 19.249  7.8818  48.180     58.623   -140.2053  107.680  127.539    69.889   15.478  7.6654  26.699  9.0517  -11.22104      11.86133 
1 1 1 -22 -32 32 o 23.437  8.3609  92.104     60.021   128.662    108.873  76.142     71.941   25.296  10.584  21.882  8.8148  3.414778       13.77408 
1 1 1 -22 -32 33 o 16.825  7.3709  18.362     57.480   -49.9141   104.964  47.607     68.696   17.484  8.4115  19.597  8.3144  -2.113047      11.82717 
1 1 1 -22 -32 34 o 12.741  6.1090  -48.9003   54.287   23.247     103.286  -76.4387   63.812   19.872  9.1731  12.904  6.2900  6.968509       11.12246 
1 1 1 -22 -32 35 o 18.880  8.3892  31.230     76.989   36.489     137.367  28.821     92.962   21.453  10.121  19.571  8.9091  1.881735       13.48337 
1 1 1 -22 -32 36 o 17.714  7.9008  20.549     68.951   -62.2470   137.187  48.533     79.756   18.775  9.1673  19.950  8.7126  -1.175180      12.64708 
1 1 1 -22 -32 37 o 17.489  7.8470  17.457     69.109   -54.1729   139.036  40.962     79.645   18.952  9.2482  19.429  8.5878  -0.4775181     12.62057 
1 1 1 -22 -32 38 f 31.244  8.0298  163.803    61.206   238.247    122.438  139.003    70.669   30.598  11.746  27.246  9.1027  3.351419       14.86051 
1 1 1 -22 -32 39 o 18.433  7.6904  43.768     57.243   221.433    116.454  -12.8376   65.732   29.775  11.450  15.505  7.2124  14.27041       13.53193 
1 1 1 -22 -32 40 o 11.488  5.6178  -69.7500   52.090   -110.0127  112.566  -58.7791   58.759   16.042  7.9251  12.748  6.1723  3.294036       10.04514 
1 1 1 -22 -32 41 o 22.259  8.2908  87.323     59.947   -18.4735   122.914  120.342    68.667   18.699  9.0218  25.109  8.9444  -6.410698      12.70409 
1 1 1 -22 -32 42 o 18.481  8.4990  24.538     87.501   130.819    186.635  -5.4057    99.063   23.230  11.186  17.877  8.4814  5.352978       14.03770 
1 1 1 -22 -32 43 o 15.549  7.4985  -45.1374   84.663   -220.4507  200.934  -7.2950    93.355   18.039  9.1328  17.401  8.2491  0.6381721      12.30674 
1 1 1 -22 -32 44 o 21.131  8.1483  79.093     59.104   100.496    126.593  73.127     66.835   22.035  10.166  20.537  8.4131  1.498482       13.19557 
1 1 1 -22 -32 45 o 13.733  6.4389  -18.6474   54.114   -210.5177  122.381  27.985     60.333   14.529  7.3316  16.972  7.4894  -2.442919      10.48063 
1 1 1 -22 -32 46 o 23.877  10.848  163.157    136.988  163.157    136.988  0.0000     0.0000   23.877  10.848  ?       ?       0.000000       10.84817 
1 1 1 -22 -32 47 o 21.680  10.208  103.625    138.479  103.625    138.479  0.0000     0.0000   21.680  10.208  ?       ?       0.000000       10.20784 
1 1 1 -22 -32 48 o 22.069  10.508  121.874    154.762  121.874    154.762  0.0000     0.0000   22.069  10.508  ?       ?       0.000000       10.50779 
1 1 1 -22 -32 49 f 35.904  9.1352  249.207    79.777   485.865    246.109  221.421    84.331   27.474  13.128  32.075  9.8703  -4.600937      16.42485 
1 1 1 -22 -32 50 o 32.553  8.3691  193.613    66.471   232.648    146.899  183.564    74.538   25.901  11.544  29.932  9.2910  -4.031754      14.81813 
1 1 1 -22 -32 51 o 30.372  8.3880  170.561    63.855   184.495    154.648  167.697    70.111   23.901  11.100  28.980  9.0133  -5.079323      14.29835 
1 1 1 -22 -32 52 o 16.286  7.4774  10.255     67.357   41.918     175.648  4.7959     72.933   20.486  10.078  16.383  7.6130  4.102825       12.63041 
1 1 1 -22 -32 53 o 24.476  9.5323  133.000    81.508   279.937    190.462  100.056    90.184   25.544  12.010  21.855  9.4055  3.688915       15.25452 
1 1 1 -22 -32 54 o 22.060  8.3044  92.394     60.457   -7.2206    145.492  113.183    66.467   18.909  9.2760  23.718  8.7506  -4.809549      12.75217 
1 1 1 -22 -32 55 o 14.437  6.7117  -7.3097    56.790   14.590     146.464  -11.1848   61.610   19.241  9.4115  14.677  6.8779  4.564722       11.65685 
1 1 1 -22 -32 56 o 21.235  8.3070  87.576     62.114   249.154    153.843  56.107     67.893   25.421  11.529  18.732  8.1106  6.689167       14.09601 
1 1 1 -22 -32 57 o 18.792  8.7732  50.618     98.658   0.0000     0.0000   50.618     98.658   ?       ?       18.792  8.7732  0.000000       8.773165 
1 1 1 -22 -32 58 o 17.951  8.6832  24.000     115.635  0.0000     0.0000   24.000     115.635  ?       ?       17.951  8.6832  0.000000       8.683211 
1 1 1 -22 -31 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -31 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -31 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -31 4  o 18.878  7.6532  57.050     54.601   0.0000     0.0000   57.050     54.601   ?       ?       18.878  7.6532  0.000000       7.653194 
1 1 1 -22 -31 5  o 11.845  5.4801  -13.3269   37.180   -66.5527   83.455   -0.1462    41.530   14.603  7.1346  13.345  6.0269  1.257772       9.339497 
1 1 1 -22 -31 6  o 25.205  8.9628  127.907    68.921   200.492    112.137  83.842     87.372   27.135  10.979  21.105  9.1694  6.030998       14.30457 
1 1 1 -22 -31 7  o 15.963  6.2889  33.408     35.820   -49.0715   143.731  38.870     36.987   18.360  9.0487  16.674  6.4413  1.686729       11.10715 
1 1 1 -22 -31 8  o 13.946  5.9883  13.368     36.406   41.325     93.795   8.4086     39.504   19.325  8.8546  13.870  6.0926  5.454730       10.74823 
1 1 1 -22 -31 9  o 13.878  6.3636  -7.2652    48.566   165.169    92.665   -72.5686   57.026   27.017  10.255  11.970  5.8587  15.04659       11.81063 
1 1 1 -22 -31 10 o 24.339  8.0325  103.722    55.084   540.013    193.742  65.352     57.455   37.609  14.683  20.172  7.9592  17.43723       16.70121 
1 1 1 -22 -31 11 o ?       ?       -144.4136  27.700   -172.1276  89.098   -141.4484  29.144   12.983  6.5128  ?       ?       0.000000       6.512846 
1 1 1 -22 -31 12 o 18.226  7.3062  45.142     49.158   -24.5514   102.473  65.975     56.026   17.774  8.4871  20.428  7.9176  -2.654320      11.60686 
1 1 1 -22 -31 13 o 18.162  7.3643  43.023     50.567   74.210     103.623  33.276     57.933   21.874  9.7255  17.768  7.5894  4.105778       12.33629 
1 1 1 -22 -31 14 o 14.709  6.6615  -2.7835    51.154   146.396    106.255  -47.7918   58.363   26.067  10.635  13.269  6.3545  12.79779       12.38890 
1 1 1 -22 -31 15 f 15.029  6.7475  1.4220     51.181   -49.5687   148.966  8.2469     54.499   19.714  9.6097  15.829  7.0446  3.885146       11.91526 
1 1 1 -22 -31 16 o 26.933  8.5384  125.151    62.614   90.279     135.478  134.623    70.608   23.475  10.713  27.315  9.0980  -3.839737      14.05488 
1 1 1 -22 -31 17 f 38.022  6.1365  208.848    54.686   149.333    144.392  218.814    59.087   25.987  11.521  38.511  6.5584  -12.52377      13.25675 
1 1 1 -22 -31 18 o 57.555  4.7913  446.413    66.304   550.241    130.189  410.051    77.045   55.805  9.9811  53.657  6.0216  2.148117       11.65687 
1 1 1 -22 -31 19 o 56.752  4.7649  432.893    65.007   342.096    126.861  465.225    75.701   39.740  12.083  58.007  5.4421  -18.26658      13.25216 
1 1 1 -22 -31 20 o 46.075  5.4819  294.292    60.082   138.993    115.554  351.831    70.337   26.309  10.947  49.910  5.9237  -23.60158      12.44696 
1 1 1 -22 -31 21 o 38.127  6.2999  209.641    56.246   242.967    108.846  197.501    65.697   34.299  11.290  35.450  7.8453  -1.150723      13.74809 
1 1 1 -22 -31 22 o 27.457  9.8726  139.011    83.845   216.450    165.228  112.154    97.305   29.145  12.636  25.026  10.190  4.118319       16.23293 
1 1 1 -22 -31 23 o 22.649  9.2971  78.222     81.825   26.896     162.761  95.581     94.655   22.798  10.832  23.990  9.9388  -1.192520      14.70084 
1 1 1 -22 -31 24 o 12.169  6.0283  -118.9083  66.779   -156.1360  146.265  -109.1045  75.059   18.052  8.9388  13.407  6.5940  4.645196       11.10783 
1 1 1 -22 -31 25 o 16.696  6.9992  24.349     47.749   11.070     100.622  28.209     54.246   19.837  9.1193  17.591  7.4216  2.246105       11.75757 
1 1 1 -22 -31 26 o 14.618  6.5111  -0.2092    46.661   -22.9630   95.261   6.9731     53.521   18.141  8.5178  15.931  7.0407  2.210629       11.05103 
1 1 1 -22 -31 27 o 17.852  7.1421  37.344     46.874   132.742    97.807   8.8997     53.407   26.599  10.419  16.052  7.0668  10.54709       12.58952 
1 1 1 -22 -31 28 o 29.683  7.7956  138.967    56.868   137.643    111.140  139.436    66.188   26.649  10.875  28.821  8.7200  -2.171930      13.93944 
1 1 1 -22 -31 29 o 18.179  7.5929  33.965     55.889   180.703    101.988  -29.0140   66.815   30.032  10.876  15.348  7.1828  14.68416       13.03380 
1 1 1 -22 -31 30 o 20.786  8.1071  61.890     59.025   -84.5484   107.013  125.920    70.762   17.024  8.2634  26.970  9.1082  -9.946524      12.29807 
1 1 1 -22 -31 31 o 24.644  8.4222  99.848     60.512   178.580    114.092  69.033     71.378   29.069  11.290  21.706  8.7675  7.363440       14.29437 
1 1 1 -22 -31 32 o 47.367  6.3202  322.170    70.826   437.741    127.343  270.407    85.223   48.084  11.134  40.321  8.9450  7.762924       14.28216 
1 1 1 -22 -31 33 o 50.698  5.9065  362.436    71.297   440.654    128.633  327.751    85.659   47.909  11.257  45.697  8.0178  2.211533       13.82006 
1 1 1 -22 -31 34 o 57.940  5.2968  460.934    73.642   586.922    137.153  409.897    87.293   57.461  10.211  52.414  7.0420  5.047703       12.40394 
1 1 1 -22 -31 35 o 52.598  8.0149  435.887    99.056   539.264    176.265  388.169    119.755  45.415  14.318  44.777  11.082  0.6382103      18.10598 
1 1 1 -22 -31 36 o 28.755  9.6368  154.148    79.207   -2.8895    149.907  214.969    93.293   21.133  10.138  33.127  10.413  -11.99357      14.53260 
1 1 1 -22 -31 37 o 16.110  7.4126  -8.2946    66.692   -160.8995  135.591  40.408     76.599   16.962  8.4345  19.560  8.5404  -2.597870      12.00331 
1 1 1 -22 -31 38 o 21.379  8.0594  72.490     56.982   112.437    115.693  59.696     65.474   24.231  10.540  20.368  8.3336  3.862560       13.43618 
1 1 1 -22 -31 39 o 20.766  8.0474  67.021     57.871   170.725    118.128  34.272     66.382   27.178  11.165  18.460  8.0065  8.717377       13.73921 
1 1 1 -22 -31 40 o 18.293  7.5993  41.241     55.555   94.531     113.782  24.560     63.659   23.027  10.217  17.569  7.7253  5.457821       12.80871 
1 1 1 -22 -31 41 o 12.970  6.1752  -38.9780   53.425   -222.6417  117.738  8.6433     59.952   14.497  7.3000  16.208  7.2876  -1.710122      10.31500 
1 1 1 -22 -31 42 o 16.015  7.6830  -43.0263   86.145   82.023     199.486  -71.6910   95.509   22.907  11.156  15.853  7.7205  7.053596       13.56704 
1 1 1 -22 -31 43 o 15.385  7.4391  -56.4311   84.687   62.835     189.584  -86.1619   94.655   22.214  10.831  15.322  7.5094  6.891915       13.17960 
1 1 1 -22 -31 44 o 14.760  7.1716  -64.5648   81.138   44.952     238.228  -78.9358   86.297   22.108  11.023  14.776  7.2265  7.332675       13.18087 
1 1 1 -22 -31 45 o 15.824  7.9104  -153.7780  126.184  -153.7780  126.184  0.0000     0.0000   15.824  7.9104  ?       ?       0.000000       7.910436 
1 1 1 -22 -31 46 o 17.589  8.7041  -82.4343   137.901  -82.4343   137.901  0.0000     0.0000   17.589  8.7041  ?       ?       0.000000       8.704143 
1 1 1 -22 -31 47 o 23.761  9.4798  120.063    82.344   78.507     142.940  140.703    100.739  21.343  10.144  24.344  10.183  -3.001638      14.37332 
1 1 1 -22 -31 48 o 19.325  8.0015  59.668     61.300   77.033     137.854  55.388     68.438   21.146  10.024  19.149  8.2159  1.997559       12.96114 
1 1 1 -22 -31 49 o 12.498  5.9897  -39.5627   52.058   -32.0675   134.967  -40.8726   56.424   18.285  8.9627  12.961  6.2179  5.323496       10.90837 
1 1 1 -22 -31 50 o 17.928  7.5712  44.231     56.543   213.450    140.694  11.636     61.749   25.860  11.423  16.036  7.2847  9.824064       13.54797 
1 1 1 -22 -31 51 o 42.082  7.3454  289.567    72.273   332.350    153.194  277.318    81.968   30.437  12.630  38.727  8.9084  -8.290062      15.45532 
1 1 1 -22 -31 52 o 18.297  8.2891  34.973     79.274   253.848    192.803  -9.5580    86.966   25.198  11.919  16.766  7.9520  8.432182       14.32788 
1 1 1 -22 -31 53 o 16.365  7.5728  4.4331     71.040   -90.6712   175.356  23.106     77.701   18.601  9.3026  17.662  8.0803  0.9392376      12.32189 
1 1 1 -22 -31 54 o 11.631  5.6380  -52.1840   49.375   -109.4001  172.580  -47.0832   51.529   18.219  9.1286  12.122  5.8468  6.097030       10.84051 
1 1 1 -22 -31 55 o 12.604  6.0619  -43.2260   54.397   -40.5189   150.180  -43.6348   58.359   18.534  9.1558  13.043  6.2741  5.491693       11.09928 
1 1 1 -22 -31 56 o 23.948  8.8483  117.127    68.007   258.519    156.902  84.419     75.464   26.266  11.802  20.952  8.7919  5.314503       14.71668 
1 1 1 -22 -31 57 o 19.546  9.2567  53.691     116.988  0.0000     0.0000   53.691     116.988  ?       ?       19.546  9.2567  0.000000       9.256673 
1 1 1 -22 -31 58 o 19.303  9.2743  53.330     126.553  0.0000     0.0000   53.330     126.553  ?       ?       19.303  9.2743  0.000000       9.274284 
1 1 1 -22 -30 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -30 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -30 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -30 4  o 14.372  5.9066  21.314     33.075   0.0000     0.0000   21.314     33.075   ?       ?       14.372  5.9066  0.000000       5.906558 
1 1 1 -22 -30 5  o 23.973  6.9526  93.783     42.804   25.568     92.087   112.584    48.344   18.598  8.6116  25.929  7.3482  -7.331417      11.32056 
1 1 1 -22 -30 6  o 23.975  9.0678  112.318    72.285   22.832     107.851  185.301    97.399   19.234  9.0413  28.179  10.554  -8.944691      13.89696 
1 1 1 -22 -30 7  o 11.999  5.9117  -89.0079   61.175   -13.7681   126.828  -111.8210  69.837   19.006  9.1688  12.356  6.1285  6.650849       11.02837 
1 1 1 -22 -30 8  o 37.323  5.5568  199.536    48.788   228.155    109.269  192.410    54.525   30.901  11.247  35.630  6.5482  -4.729351      13.01460 
1 1 1 -22 -30 9  o 7.7816  3.8731  -64.8476   28.873   -144.5481  87.894   -55.2065   30.570   13.497  6.7240  8.5204  4.1941  4.976152       7.924852 
1 1 1 -22 -30 10 o 23.362  6.8312  85.216     41.171   -21.6322   110.433  102.465    44.370   18.474  8.8181  25.544  6.9663  -7.070892      11.23783 
1 1 1 -22 -30 11 o 15.491  6.5917  18.572     43.402   -2.2432    98.100   23.638     48.396   18.572  8.6957  16.396  6.9683  2.176689       11.14331 
1 1 1 -22 -30 12 o 17.827  7.2927  37.675     50.128   174.979    154.284  21.470     53.004   26.669  11.862  16.685  7.1954  9.983690       13.87356 
1 1 1 -22 -30 13 o 13.880  6.3931  -15.5447   49.769   -200.4885  103.120  40.617     56.826   13.975  7.0100  18.561  7.6961  -4.585989      10.41009 
1 1 1 -22 -30 14 o 16.996  6.7037  34.626     40.745   152.233    109.122  15.573     43.921   27.123  10.881  15.427  6.5994  11.69604       12.72578 
1 1 1 -22 -30 15 o 10.708  5.2059  -59.3773   42.934   -41.5512   89.066   -64.7733   49.003   16.845  8.0065  11.451  5.5659  5.394318       9.751046 
1 1 1 -22 -30 16 o 31.613  8.6077  166.101    67.804   232.057    135.046  143.870    78.403   31.331  12.251  28.242  9.5871  3.089159       15.55639 
1 1 1 -22 -30 17 o 37.141  8.1343  218.192    71.277   258.206    137.522  203.496    83.345   33.041  12.505  33.927  9.6600  -0.8857079     15.80139 
1 1 1 -22 -30 18 o 21.122  7.2816  66.291     45.263   189.112    99.205   34.002     50.866   31.113  10.777  17.865  7.3315  13.24755       13.03438 
1 1 1 -22 -30 19 o 29.652  6.8543  130.545    48.328   136.405    105.568  128.991    54.359   26.923  10.736  28.808  7.6486  -1.885046      13.18198 
1 1 1 -22 -30 20 o 30.346  7.0407  137.544    50.840   150.977    103.051  133.223    58.448   28.112  10.780  29.002  8.0310  -0.8895645     13.44270 
1 1 1 -22 -30 21 o 40.012  6.1751  226.186    58.022   105.646    124.814  259.417    65.534   25.307  10.977  42.518  6.5636  -17.21083      12.78987 
1 1 1 -22 -30 22 o 18.601  7.2742  42.753     47.616   -101.6478  96.907   88.712     54.671   15.943  7.7669  23.879  8.0062  -7.936568      11.15452 
1 1 1 -22 -30 23 o 12.725  6.2574  -105.6306  67.459   -94.7567   154.458  -108.1936  74.989   20.070  9.7837  13.550  6.6499  6.519579       11.82971 
1 1 1 -22 -30 24 o 113.491 6.7532  1840.05    185.126  2144.80    317.815  1683.54    227.755  104.451 12.808  101.972 9.3075  2.479218       15.83300 
1 1 1 -22 -30 25 o 34.439  10.222  211.934    91.592   124.735    181.810  241.592    106.031  26.764  12.287  35.633  11.085  -8.869719      16.54793 
1 1 1 -22 -30 26 o 33.911  7.0312  169.428    55.955   121.740    111.512  185.477    64.689   26.297  10.831  34.760  7.8549  -8.462795      13.37936 
1 1 1 -22 -30 27 o 28.402  8.0959  127.217    58.508   136.638    104.366  122.899    70.654   27.323  10.744  27.138  9.1016  0.1850643      14.08110 
1 1 1 -22 -30 28 f 24.595  8.3128  95.462     58.943   197.222    103.873  47.133     71.584   31.976  11.030  20.434  8.5682  11.54256       13.96724 
1 1 1 -22 -30 29 o 27.489  8.2095  120.242    58.947   65.246     107.829  143.683    70.398   23.052  10.097  29.341  9.0163  -6.289591      13.53693 
1 1 1 -22 -30 30 o 26.541  8.4818  113.882    61.693   73.590     112.413  131.247    73.800   23.571  10.318  27.771  9.3020  -4.199528      13.89169 
1 1 1 -22 -30 31 o 37.010  7.3711  205.152    63.867   287.744    113.683  167.063    77.202   38.563  11.373  31.196  9.4129  7.367521       14.76297 
1 1 1 -22 -30 32 o 25.047  7.9603  98.798     54.398   105.366    108.439  96.589     62.882   25.088  10.534  24.503  8.5749  0.5850220      13.58289 
1 1 1 -22 -30 33 o 29.794  7.8945  139.540    57.985   57.076     111.919  169.798    67.794   22.576  10.068  32.343  8.5199  -9.767544      13.18893 
1 1 1 -22 -30 34 o 19.256  7.7073  46.399     54.614   121.888    108.681  20.897     63.169   25.877  10.679  17.846  7.7749  8.030931       13.20974 
1 1 1 -22 -30 35 o 39.334  7.0209  229.446    64.549   315.070    129.433  201.102    74.470   38.066  12.298  34.852  8.8036  3.213757       15.12447 
1 1 1 -22 -30 36 o 36.472  9.7902  236.068    88.456   70.284     155.863  314.833    107.433  23.882  11.108  41.118  10.674  -17.23637      15.40568 
1 1 1 -22 -30 37 f 20.971  8.8213  57.873     76.269   101.515    141.341  39.946     90.589   24.590  11.111  20.516  9.1089  4.074366       14.36734 
1 1 1 -22 -30 38 o 20.005  8.2754  51.811     65.483   -48.0146   143.343  78.138     73.613   19.932  9.6480  22.308  8.9413  -2.376574      13.15406 
1 1 1 -22 -30 39 o 19.295  7.8326  48.641     57.273   16.461     116.726  58.845     65.730   20.479  9.5546  20.487  8.3623  -0.7982254E-02 12.69718 
1 1 1 -22 -30 40 o 24.236  8.4273  99.536     60.689   42.038     127.874  116.253    68.949   21.638  10.064  25.586  8.9776  -3.947643      13.48610 
1 1 1 -22 -30 41 o 12.997  6.1902  -41.6486   53.791   -257.5296  117.974  15.011     60.439   14.158  7.1508  16.824  7.4564  -2.665964      10.33108 
1 1 1 -22 -30 42 o 18.628  8.6186  9.6571     91.956   149.913    240.945  -14.2544   99.486   24.894  12.154  18.146  8.5764  6.748732       14.87531 
1 1 1 -22 -30 43 o 26.884  10.525  157.773    99.759   37.257     232.974  184.832    110.392  22.803  11.290  28.120  11.052  -5.316580      15.79918 
1 1 1 -22 -30 44 o 26.678  12.989  319.528    269.917  319.528    269.917  0.0000     0.0000   26.678  12.989  ?       ?       0.000000       12.98924 
1 1 1 -22 -30 45 o 16.324  8.1439  -152.4281  130.838  -152.4281  130.838  0.0000     0.0000   16.324  8.1439  ?       ?       0.000000       8.143909 
1 1 1 -22 -30 46 o 25.551  9.7634  137.563    84.344   60.927     148.970  173.721    102.325  21.483  10.251  27.065  10.640  -5.581882      14.77494 
1 1 1 -22 -30 47 o 33.024  10.200  230.025    89.970   252.171    152.779  218.267    111.320  27.751  12.091  29.161  11.199  -1.409700      16.48028 
1 1 1 -22 -30 48 o 29.112  7.6587  143.789    54.827   53.338     154.624  156.796    58.637   21.045  10.145  30.137  7.9164  -9.091389      12.86851 
1 1 1 -22 -30 49 o 22.237  7.7660  86.408     51.565   -77.5281   144.118  110.476    55.220   17.923  8.8746  24.813  8.0346  -6.890636      11.97133 
1 1 1 -22 -30 50 o 28.493  8.4916  149.931    63.116   285.244    147.953  119.827    69.785   29.122  12.270  24.544  8.9800  4.577724       15.20507 
1 1 1 -22 -30 51 o 14.719  6.7823  -4.9093    56.104   57.888     134.043  -18.2470   61.775   20.723  9.8416  14.588  6.8525  6.135097       11.99225 
1 1 1 -22 -30 52 o 14.355  6.7985  -26.4567   63.114   23.291     133.963  -40.6490   71.552   19.783  9.5141  14.576  6.9952  5.207350       11.80897 
1 1 1 -22 -30 53 o 29.348  10.233  192.577    89.520   254.170    191.267  175.300    101.300  25.765  12.088  26.785  10.568  -1.019587      16.05690 
1 1 1 -22 -30 54 o 13.407  6.4965  -57.0396   65.395   148.552    162.654  -96.6799   71.422   23.474  11.055  12.812  6.3263  10.66163       12.73755 
1 1 1 -22 -30 55 o 20.600  8.3645  73.815     65.333   285.159    145.545  20.484     73.112   29.307  12.248  17.358  7.9012  11.94928       14.57521 
1 1 1 -22 -30 56 o 14.514  6.8304  -18.5942   61.868   0.0000     0.0000   -18.5942   61.868   ?       ?       14.514  6.8304  0.000000       6.830400 
1 1 1 -22 -30 57 o 16.722  8.1728  -47.1422   109.821  0.0000     0.0000   -47.1422   109.821  ?       ?       16.722  8.1728  0.000000       8.172768 
1 1 1 -22 -30 58 o 19.766  9.3079  61.318     115.211  211.290    267.504  27.164     127.657  22.216  11.163  18.977  9.1656  3.239218       14.44374 
1 1 1 -22 -29 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -29 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -29 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -29 4  o 7.1351  3.5677  -63.6559   25.747   0.0000     0.0000   -63.6559   25.747   ?       ?       7.1351  3.5677  0.000000       3.567736 
1 1 1 -22 -29 5  o 16.232  6.4019  33.072     37.156   -98.1636   113.781  48.737     39.311   16.401  8.0770  18.219  6.7281  -1.817394      10.51211 
1 1 1 -22 -29 6  o 21.955  8.4850  82.056     64.201   134.845    93.921   35.757     87.959   25.398  10.127  19.423  8.7715  5.974852       13.39759 
1 1 1 -22 -29 7  o ?       ?       -266.0786  34.358   -98.3707   41.683   -621.4730  60.679   9.0475  4.5263  ?       ?       0.000000       4.526319 
1 1 1 -22 -29 8  o 45.698  8.8641  353.519    94.740   365.060    183.141  349.302    110.703  32.985  13.758  42.208  10.773  -9.223324      17.47393 
1 1 1 -22 -29 9  o 23.055  6.8262  81.774     40.886   61.918     100.390  85.722     44.767   21.638  9.5988  23.360  7.1919  -1.722763      11.99419 
1 1 1 -22 -29 10 o 22.327  6.8583  76.147     40.736   121.530    100.515  67.228     44.559   25.232  10.325  20.993  7.2255  4.238503       12.60189 
1 1 1 -22 -29 11 o 17.574  6.8963  38.276     42.914   3.9518     133.774  42.213     45.308   20.947  9.9141  18.143  7.0956  2.804104       12.19172 
1 1 1 -22 -29 12 o 16.621  6.6843  29.998     41.292   -133.4286  98.957   64.452     45.437   15.114  7.4599  20.789  7.2882  -5.674977      10.42919 
1 1 1 -22 -29 13 o 14.916  6.1891  17.699     36.789   -95.7895   100.129  35.410     39.556   16.218  7.8996  17.127  6.6487  -0.9087753     10.32516 
1 1 1 -22 -29 14 o 23.854  6.9538  85.633     42.720   66.237     99.718   89.993     47.279   22.582  9.8036  24.202  7.3805  -1.619473      12.27119 
1 1 1 -22 -29 15 o 11.608  5.3976  -22.8565   36.761   69.856     88.712   -42.0768   40.392   22.569  9.5046  11.148  5.3245  11.42106       10.89439 
1 1 1 -22 -29 16 o 33.219  8.2099  173.857    65.793   13.153     134.685  224.225    75.402   21.961  10.252  37.636  8.4623  -15.67502      13.29328 
1 1 1 -22 -29 17 o 35.645  8.1155  197.230    68.618   50.018     135.651  247.850    79.545   23.399  10.694  39.668  8.5187  -16.26899      13.67234 
1 1 1 -22 -29 18 o 40.689  5.9494  230.109    57.003   522.515    139.546  171.546    62.451   54.459  10.940  33.487  7.8265  20.97153       13.45152 
1 1 1 -22 -29 19 o 15.018  6.3966  11.724     40.943   115.598    92.694   -13.4549   45.637   26.170  10.173  13.733  6.2478  12.43717       11.93813 
1 1 1 -22 -29 20 o 21.783  7.3524  69.256     46.110   -50.8811   114.660  92.433     50.361   19.039  9.0594  24.680  7.6330  -5.641779      11.84636 
1 1 1 -22 -29 21 o 31.137  7.6508  146.644    57.389   -11.0426   169.500  167.061    60.991   23.076  10.990  33.256  7.7088  -10.17995      13.42411 
1 1 1 -22 -29 22 o 24.762  7.4707  92.135     48.632   103.965    98.683   88.341     55.890   25.516  10.308  24.072  8.0949  1.443972       13.10662 
1 1 1 -22 -29 23 o 35.128  10.224  214.535    92.421   96.943     183.227  254.663    107.035  26.568  12.248  37.335  11.042  -10.76667      16.49054 
1 1 1 -22 -29 24 o 43.754  9.0920  304.065    93.373   260.747    184.363  319.009    108.288  32.698  13.733  43.072  10.465  -10.37323      17.26549 
1 1 1 -22 -29 25 o 18.131  8.2010  -1.2104    77.251   -100.0777  159.047  29.316     88.376   20.599  10.016  20.609  9.0809  -0.9769440E-02 13.51980 
1 1 1 -22 -29 26 o 14.308  6.5644  -19.0880   51.779   -25.3128   96.920   -16.6018   61.252   18.705  8.7199  15.659  7.1677  3.045844       11.28775 
1 1 1 -22 -29 27 o 34.356  7.5488  175.933    61.210   39.720     110.022  236.991    73.662   22.325  9.9671  39.670  7.9300  -17.34501      12.73688 
1 1 1 -22 -29 28 o 16.683  7.2355  12.225     54.213   -27.0074   96.588   30.269     65.505   18.597  8.6815  19.043  8.1004  -0.4455814     11.87376 
1 1 1 -22 -29 29 o 28.184  8.2602  124.324    60.136   -62.7809   110.617  202.821    71.648   18.441  8.8089  36.195  8.3309  -17.75387      12.12440 
1 1 1 -22 -29 30 o 39.124  6.4926  216.718    59.475   172.547    113.497  233.439    69.830   30.059  11.364  39.697  7.5252  -9.637264      13.62969 
1 1 1 -22 -29 31 o 16.457  7.1359  11.909     52.706   11.123     104.253  12.179     61.088   20.628  9.4072  17.345  7.5987  3.282558       12.09280 
1 1 1 -22 -29 32 o 24.588  8.1010  93.433     56.037   157.082    107.369  69.605     65.694   28.997  11.031  22.143  8.5760  6.853876       13.97263 
1 1 1 -22 -29 33 o 46.577  6.0078  301.215    66.314   415.406    122.898  254.311    78.765   48.767  10.682  40.553  8.2846  8.213455       13.51795 
1 1 1 -22 -29 34 o 29.261  8.0677  134.255    59.130   122.272    113.033  138.769    69.380   26.404  10.893  28.971  8.9590  -2.567041      14.10413 
1 1 1 -22 -29 35 o 30.816  8.4319  152.311    64.877   217.498    116.402  122.936    78.139   32.646  11.644  26.814  9.5424  5.831957       15.05436 
1 1 1 -22 -29 36 o 18.005  8.2679  -6.8325    82.400   74.268     132.984  -57.3751   104.982  24.047  10.829  17.876  8.5509  6.171167       13.79821 
1 1 1 -22 -29 37 o 24.491  9.8749  99.226     90.374   91.030     145.999  104.318    115.068  24.795  11.240  24.981  10.684  -0.1861305     15.50727 
1 1 1 -22 -29 38 o 25.349  10.017  113.044    91.121   299.637    146.894  -3.6666    116.174  35.069  12.995  20.197  9.4583  14.87257       16.07251 
1 1 1 -22 -29 39 o 30.830  8.6280  158.294    67.088   261.600    130.099  120.873    78.301   33.750  12.274  26.119  9.5188  7.630741       15.53277 
1 1 1 -22 -29 40 o 25.698  8.5548  110.998    62.431   133.336    134.686  104.886    70.458   25.859  11.307  24.743  9.0276  1.116377       14.46879 
1 1 1 -22 -29 41 f 27.186  8.4948  125.089    62.194   162.772    138.254  115.528    69.638   26.928  11.617  25.672  9.0215  1.255939       14.70835 
1 1 1 -22 -29 42 o 30.128  9.9059  173.245    83.803   237.621    137.940  135.583    105.507  30.565  12.244  25.895  10.585  4.670053       16.18483 
1 1 1 -22 -29 43 o 23.366  11.480  42.978     225.532  42.978     225.532  0.0000     0.0000   23.366  11.480  ?       ?       0.000000       11.48025 
1 1 1 -22 -29 44 o 23.145  11.500  29.296     249.931  29.296     249.931  0.0000     0.0000   23.145  11.500  ?       ?       0.000000       11.49957 
1 1 1 -22 -29 45 o 19.554  8.1123  53.364     63.188   195.321    135.748  14.099     71.394   27.343  11.647  17.436  7.8858  9.906206       14.06534 
1 1 1 -22 -29 46 o 14.417  6.3132  9.2228     42.129   -185.1171  126.034  33.668     44.700   15.576  7.8040  16.834  6.8864  -1.257862      10.40795 
1 1 1 -22 -29 47 o 17.615  7.2133  39.962     49.107   51.623     127.774  37.941     53.192   21.017  9.8670  17.653  7.3932  3.363886       12.32947 
1 1 1 -22 -29 48 o 34.212  9.0933  216.682    76.780   213.327    151.577  217.839    89.049   26.506  11.775  32.250  10.178  -5.744503      15.56402 
1 1 1 -22 -29 49 o 12.589  5.8530  -17.2899   43.197   -168.3875  127.893  2.1668     45.894   15.727  7.8768  14.186  6.3776  1.540655       10.13500 
1 1 1 -22 -29 50 o 19.758  7.9827  62.236     59.188   -74.0373   127.622  99.579     66.807   17.422  8.5745  23.013  8.7141  -5.591082      12.22534 
1 1 1 -22 -29 51 o 18.774  7.8487  50.441     59.798   25.480     133.099  56.753     66.933   20.002  9.5836  19.455  8.2279  0.5474548      12.63107 
1 1 1 -22 -29 52 o 19.074  7.8068  54.773     57.481   -34.5272   133.330  75.160     63.705   18.523  9.0428  20.884  8.3362  -2.360720      12.29895 
1 1 1 -22 -29 53 o 27.870  10.142  171.852    88.845   228.882    189.021  155.680    100.657  25.505  11.983  25.740  10.406  -0.2351723     15.87055 
1 1 1 -22 -29 54 o 26.960  10.186  162.724    91.145   437.235    194.485  85.464     103.177  32.173  13.828  21.721  9.6780  10.45194       16.87852 
1 1 1 -22 -29 55 o 14.355  6.8574  -37.5841   67.039   0.0000     0.0000   -37.5841   67.039   ?       ?       14.355  6.8574  0.000000       6.857403 
1 1 1 -22 -29 56 o 13.684  6.5300  -36.4535   60.469   0.0000     0.0000   -36.4535   60.469   ?       ?       13.684  6.5300  0.000000       6.529959 
1 1 1 -22 -29 57 o 16.396  8.0449  -67.8139   109.578  210.602    250.405  -133.7579  121.866  23.465  11.633  15.740  7.8538  7.724976       14.03589 
1 1 1 -22 -29 58 o 19.063  8.9649  37.208     106.237  154.735    267.504  15.200     115.757  22.158  11.137  18.631  8.9296  3.526924       14.27513 
1 1 1 -22 -29 59 o 18.173  8.7569  12.038     114.900  -13.1260   295.264  16.528     124.731  ?       ?       18.559  8.9875  0.000000       8.987514 
1 1 1 -22 -28 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -28 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -28 4  o 9.9175  4.7064  -28.2327   30.540   0.0000     0.0000   -28.2327   30.540   ?       ?       9.9175  4.7064  0.000000       4.706352 
1 1 1 -22 -28 5  o 29.076  6.4120  126.563    44.021   80.269     96.315   138.787    49.493   22.291  9.6559  29.998  6.9380  -7.706928      11.88998 
1 1 1 -22 -28 6  o 28.815  6.2705  122.653    42.596   83.391     96.715   132.102    47.445   22.671  9.7481  29.495  6.7724  -6.823645      11.86977 
1 1 1 -22 -28 7  o 55.448  8.2301  491.185    107.366  376.797    185.276  549.020    131.741  34.368  14.035  55.338  10.187  -20.96974      17.34243 
1 1 1 -22 -28 8  f 17.151  6.8116  34.695     42.335   -0.8849    133.999  38.640     44.621   20.820  9.8736  17.727  7.0079  3.092653       12.10781 
1 1 1 -22 -28 9  o 37.877  6.2691  206.140    55.600   141.053    102.325  233.407    66.230   26.949  10.625  39.422  7.1889  -12.47306      12.82883 
1 1 1 -22 -28 10 o 33.654  6.0931  161.364    47.923   67.677     97.042   191.581    55.112   22.500  9.7195  36.394  6.4785  -13.89329      11.68075 
1 1 1 -22 -28 11 o 35.298  5.6841  173.339    47.030   260.708    109.761  153.692    52.050   36.490  11.266  32.276  6.8578  4.214088       13.18902 
1 1 1 -22 -28 12 o 16.875  6.5908  32.602     39.051   77.841     101.504  24.743     42.307   23.503  10.043  16.338  6.6934  7.164492       12.06884 
1 1 1 -22 -28 13 o 17.285  6.5394  36.630     37.602   0.7900     91.476   43.918     41.248   19.174  8.7702  18.411  6.8733  0.7628918      11.14268 
1 1 1 -22 -28 14 o 26.904  6.7047  105.701    43.611   27.598     94.787   126.674    49.119   20.756  9.2601  29.304  7.0035  -8.547422      11.61029 
1 1 1 -22 -28 15 o 76.632  4.3365  762.432    80.303   629.927    146.464  819.385    96.023   61.511  10.169  78.524  5.0668  -17.01326      11.36099 
1 1 1 -22 -28 16 f 71.910  6.1312  713.214    105.956  788.714    182.442  674.789    130.156  66.197  11.791  66.962  8.1808  -0.7647476     14.35085 
1 1 1 -22 -28 17 o 35.579  8.0680  192.657    68.048   138.197    129.302  213.518    80.026   27.873  11.587  36.496  9.0753  -8.622589      14.71831 
1 1 1 -22 -28 18 o 33.937  8.3390  177.832    68.175   179.490    129.283  177.193    80.238   30.400  11.957  32.711  9.5285  -2.310768      15.28926 
1 1 1 -22 -28 19 o 22.763  7.2430  75.485     45.025   33.968     110.857  83.687     49.272   22.286  9.9732  23.766  7.5784  -1.480099      12.52590 
1 1 1 -22 -28 20 o 35.706  5.9142  175.502    49.447   184.142    91.187   171.903    58.850   32.664  10.299  34.307  7.2943  -1.643417      12.62007 
1 1 1 -22 -28 21 o 27.947  7.2260  114.805    49.362   119.324    86.892   112.651    59.981   27.025  9.9983  27.026  8.3255  -0.8678436E-03 13.01080 
1 1 1 -22 -28 22 o 26.967  7.6693  108.929    52.566   188.189    101.479  79.862     61.454   32.446  10.908  23.361  8.4452  9.084812       13.79482 
1 1 1 -22 -28 23 o 29.375  9.0465  137.874    70.824   96.241     102.544  175.850    97.937   25.488  10.429  31.602  10.715  -6.113407      14.95247 
1 1 1 -22 -28 24 o 41.536  9.7516  279.969    96.598   336.128    193.372  261.294    111.508  36.846  14.581  38.098  11.271  -1.252926      18.43003 
1 1 1 -22 -28 25 o 18.124  8.2514  -9.3616    79.776   112.480    170.462  -43.5322   90.272   27.535  12.341  17.614  8.2771  9.920826       14.86010 
1 1 1 -22 -28 26 o 48.718  6.6372  332.167    76.415   411.998    203.160  319.012    82.472   40.110  15.194  46.914  7.4974  -6.804398      16.94332 
1 1 1 -22 -28 27 o 38.616  7.0251  213.411    63.399   238.820    112.680  201.642    76.690   36.026  11.458  35.877  8.8618  0.1487198      14.48478 
1 1 1 -22 -28 28 o 17.905  7.2585  31.444     49.114   92.010     94.053   8.7370     57.589   25.018  10.079  16.923  7.3968  8.094994       12.50170 
1 1 1 -22 -28 29 o 39.506  6.3932  217.841    59.190   156.260    110.350  242.716    70.133   29.534  11.196  40.939  7.3294  -11.40489      13.38148 
1 1 1 -22 -28 30 o 39.163  6.4447  214.762    59.110   319.145    114.773  177.080    68.959   42.698  11.008  33.875  8.4248  8.822723       13.86188 
1 1 1 -22 -28 31 o 24.095  8.1620  87.229     56.825   195.796    111.112  48.775     66.127   32.380  11.394  20.626  8.3998  11.75404       14.15590 
1 1 1 -22 -28 32 o 25.478  8.1431  99.307     56.863   108.016    112.515  96.319     65.898   26.179  10.840  24.967  8.7758  1.212290       13.94701 
1 1 1 -22 -28 33 o 46.210  6.5360  300.102    71.240   324.438    125.245  288.462    86.617   41.477  11.853  43.295  8.5486  -1.817539      14.61386 
1 1 1 -22 -28 34 o 74.078  5.0742  728.044    90.657   832.249    156.407  675.322    111.251  72.988  9.0238  69.188  6.7112  3.799660       11.24590 
1 1 1 -22 -28 35 o 76.437  5.0548  775.801    93.221   753.958    162.145  786.586    113.933  67.215  10.268  75.216  6.3008  -8.001419      12.04690 
1 1 1 -22 -28 36 o 25.491  10.008  106.185    90.416   -1.3501    143.986  176.195    116.179  22.202  10.440  30.067  11.466  -7.865105      15.50658 
1 1 1 -22 -28 37 o 19.237  8.6649  11.214     85.188   52.054     135.925  -15.2043   109.322  23.556  10.742  19.770  9.2314  3.786596       14.16393 
1 1 1 -22 -28 38 o 32.534  12.118  227.212    128.069  0.0000     0.0000   227.212    128.069  ?       ?       32.534  12.118  0.000000       12.11813 
1 1 1 -22 -28 39 o 20.641  8.6214  51.186     72.058   -81.7083   231.049  65.505     75.841   23.024  11.370  21.849  8.9577  1.174381       14.47501 
1 1 1 -22 -28 40 o 30.194  8.5088  149.383    65.011   48.172     137.453  178.548    73.786   22.948  10.589  32.552  9.0268  -9.604298      13.91439 
1 1 1 -22 -28 41 o 29.827  12.270  210.683    142.895  210.683    142.895  0.0000     0.0000   29.827  12.270  ?       ?       0.000000       12.26994 
1 1 1 -22 -28 42 o 21.244  9.8857  23.601     123.660  23.601     123.660  0.0000     0.0000   21.244  9.8857  ?       ?       0.000000       9.885669 
1 1 1 -22 -28 43 o 31.041  14.552  430.413    276.274  430.413    276.274  0.0000     0.0000   31.041  14.552  ?       ?       0.000000       14.55237 
1 1 1 -22 -28 44 f 34.764  10.982  249.147    103.651  282.027    266.982  243.311    112.473  27.739  13.362  33.164  11.476  -5.424425      17.61378 
1 1 1 -22 -28 45 o 29.156  7.9920  140.732    58.222   24.949     131.976  168.711    64.877   21.022  9.9183  31.662  8.3319  -10.63945      12.95347 
1 1 1 -22 -28 46 o 17.075  7.0300  33.280     46.955   33.429     129.477  33.257     50.384   21.002  9.8830  17.310  7.2178  3.691999       12.23809 
1 1 1 -22 -28 47 o 13.586  6.2340  -10.9321   46.723   114.320    136.721  -27.4943   49.716   23.681  10.789  13.038  6.1317  10.64293       12.40986 
1 1 1 -22 -28 48 o 15.015  6.9544  -11.4337   60.116   50.847     129.966  -28.3860   67.806   21.173  9.9438  14.971  7.0771  6.202543       12.20515 
1 1 1 -22 -28 49 o 30.997  7.8412  161.298    59.019   299.843    140.919  131.828    64.993   31.888  12.502  26.717  8.7207  5.171429       15.24304 
1 1 1 -22 -28 50 o 23.031  8.5554  96.520     63.750   152.201    135.632  80.730     72.226   24.596  11.018  21.488  8.7678  3.107855       14.08055 
1 1 1 -22 -28 51 o 13.069  6.2239  -36.6271   54.353   25.972     127.428  -50.5485   60.093   20.064  9.5482  13.167  6.3419  6.896941       11.46242 
1 1 1 -22 -28 52 o 15.168  6.9382  -1.5900    57.262   63.568     132.512  -16.5510   63.497   21.325  10.023  14.985  7.0098  6.340012       12.23139 
1 1 1 -22 -28 53 o 17.809  8.0284  23.909     73.313   -201.1217  170.948  74.626     81.156   17.433  8.7803  21.082  8.9933  -3.649632      12.56877 
1 1 1 -22 -28 54 o 15.673  7.3909  -21.1871   73.112   0.0000     0.0000   -21.1871   73.112   ?       ?       15.673  7.3909  0.000000       7.390911 
1 1 1 -22 -28 55 o 16.091  7.4033  0.0062     66.497   0.0000     0.0000   0.0062     66.497   ?       ?       16.091  7.4033  0.000000       7.403295 
1 1 1 -22 -28 56 o 27.277  8.9896  142.718    69.003   299.867    150.298  100.749    77.672   30.436  12.559  22.864  9.1773  7.571627       15.55513 
1 1 1 -22 -28 57 o 30.594  11.667  256.031    120.278  174.776    284.464  273.720    132.726  23.322  11.691  30.306  12.053  -6.983406      16.79130 
1 1 1 -22 -28 58 o 31.118  12.048  291.415    129.627  275.673    292.053  295.277    144.656  23.806  11.920  29.593  12.275  -5.786875      17.11066 
1 1 1 -22 -28 59 o 18.721  8.8852  27.305     108.934  32.758     297.218  26.459     117.081  20.966  10.664  18.915  9.0431  2.050644       13.98189 
1 1 1 -22 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -27 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -27 4  o 10.901  5.0292  -15.8859   30.980   0.0000     0.0000   -15.8859   30.980   ?       ?       10.901  5.0292  0.000000       5.029177 
1 1 1 -22 -27 5  o 19.201  6.5908  53.406     37.063   57.495     83.686   52.409     41.338   21.103  9.0707  19.138  6.9252  1.965763       11.41204 
1 1 1 -22 -27 6  o 12.989  5.6370  4.0225     32.948   -124.4183  76.776   33.016     36.478   13.159  6.5091  16.559  6.3969  -3.399853      9.126235 
1 1 1 -22 -27 7  o 18.051  7.6559  29.737     58.216   164.744    109.267  -23.7778   68.794   28.564  11.061  15.829  7.3684  12.73505       13.29061 
1 1 1 -22 -27 8  o 21.086  8.9760  52.321     80.534   -0.8742    130.411  85.112     102.389  21.145  9.9402  23.777  10.121  -2.631863      14.18608 
1 1 1 -22 -27 9  o 30.370  6.9969  136.815    50.499   200.210    83.819   100.690    63.272   34.044  9.6852  25.019  8.6101  9.025055       12.95907 
1 1 1 -22 -27 10 o 42.934  5.2383  249.020    53.440   246.418    117.264  249.702    60.036   35.098  11.726  42.342  6.0124  -7.243980      13.17728 
1 1 1 -22 -27 11 o 18.631  6.7272  46.101     38.978   22.902     102.466  50.026     42.146   21.033  9.4857  19.273  6.9897  1.760080       11.78277 
1 1 1 -22 -27 12 o 22.904  6.6851  76.018     39.460   -20.5002   97.143   95.091     43.184   18.905  8.7853  25.502  6.8384  -6.597046      11.13307 
1 1 1 -22 -27 13 o 17.699  6.6396  38.315     38.582   81.175     90.577   28.815     42.644   23.987  9.8065  16.967  6.8037  7.019045       11.93558 
1 1 1 -22 -27 14 f 36.596  5.6185  182.307    48.296   182.367    101.074  182.290    54.978   31.827  10.885  35.925  6.5482  -4.098640      12.70280 
1 1 1 -22 -27 15 o 21.440  6.9459  65.322     41.266   27.800     93.097   74.497     46.035   21.045  9.2941  22.665  7.3356  -1.620253      11.84030 
1 1 1 -22 -27 16 o 14.004  6.3237  -11.5458   45.707   -41.2056   86.340   0.0030     53.876   17.346  8.1331  15.906  7.0453  1.439464       10.76023 
1 1 1 -22 -27 17 o 14.794  6.6318  -7.6694    49.244   -83.6252   104.061  14.249     55.900   17.543  8.4234  17.182  7.3995  0.3610592      11.21190 
1 1 1 -22 -27 18 o 24.526  8.6094  89.768     63.412   164.920    154.358  74.510     69.552   29.892  12.560  23.150  8.8612  6.742472       15.37156 
1 1 1 -22 -27 19 o 46.277  4.9767  282.057    55.003   353.478    99.814   250.912    65.914   48.141  8.8720  42.394  6.6245  5.746395       11.07231 
1 1 1 -22 -27 20 o 39.420  7.1083  221.365    65.489   347.578    94.792   106.115    90.581   48.275  8.3975  26.251  10.097  22.02371       13.13286 
1 1 1 -22 -27 21 o 43.517  5.1763  250.965    53.584   252.415    96.795   250.324    64.342   39.233  10.106  42.531  6.4360  -3.298164      11.98145 
1 1 1 -22 -27 22 o 45.392  5.8360  278.634    62.789   316.060    119.887  264.487    73.706   42.501  11.393  43.006  7.3259  -0.5053558     13.54512 
1 1 1 -22 -27 23 o 43.701  6.2266  261.895    64.158   136.002    115.551  318.004    77.141   28.566  11.282  47.646  6.8713  -19.07938      13.21005 
1 1 1 -22 -27 24 o 48.779  8.8842  361.184    101.278  483.439    215.939  326.708    114.673  43.983  15.841  44.096  10.803  -0.1128769     19.17360 
1 1 1 -22 -27 25 o 34.946  10.257  203.597    92.665   233.230    214.821  196.823    102.713  32.620  14.271  33.610  10.963  -0.9905434     17.99549 
1 1 1 -22 -27 26 o 37.813  10.561  241.015    100.621  362.423    223.343  210.098    112.707  37.487  15.371  34.134  11.495  3.352222       19.19375 
1 1 1 -22 -27 27 o 23.549  7.9674  80.420     54.147   43.647     113.165  91.338     61.663   23.264  10.262  24.786  8.5017  -1.522491      13.32610 
1 1 1 -22 -27 28 o 55.031  5.4018  402.588    71.200   536.177    133.161  349.106    84.255   58.442  9.7328  49.606  7.2111  8.835632       12.11313 
1 1 1 -22 -27 29 o 45.577  6.0137  282.842    64.881   321.033    125.152  268.806    75.873   42.244  11.771  43.166  7.5172  -0.9217529     13.96656 
1 1 1 -22 -27 30 o 49.301  5.8964  329.383    69.136   296.412    130.721  342.187    81.462   39.555  12.308  49.245  7.0159  -9.690384      14.16742 
1 1 1 -22 -27 31 o 16.177  7.2639  -6.7246    59.335   -71.3028   108.774  20.631     70.796   18.367  8.7628  19.093  8.2746  -0.7265358     12.05222 
1 1 1 -22 -27 32 o 20.192  8.0663  46.830     59.695   34.839     110.051  51.830     71.057   22.521  10.017  21.304  8.6951  1.216513       13.26474 
1 1 1 -22 -27 33 o 16.029  7.1572  -3.5397    56.749   4.4328     107.960  -6.5836    66.708   20.989  9.5723  16.984  7.6572  4.004826       12.25812 
1 1 1 -22 -27 34 o 21.711  8.4650  61.805     64.334   88.499     120.704  51.212     76.034   25.461  10.917  21.455  8.8996  4.006504       14.08510 
1 1 1 -22 -27 35 f 43.984  6.9805  275.946    72.009   259.529    133.425  282.693    85.536   35.826  12.493  43.045  8.4912  -7.219055      15.10569 
1 1 1 -22 -27 36 o 20.522  8.8770  34.242     81.167   39.127     116.838  29.686     112.841  22.757  10.207  22.145  9.9738  0.6117687      14.27121 
1 1 1 -22 -27 37 o 22.222  9.4485  56.092     89.046   -33.6435   140.824  115.873    114.941  21.299  10.107  26.499  10.963  -5.199965      14.91099 
1 1 1 -22 -27 38 o 30.257  11.835  182.384    126.062  0.0000     0.0000   182.384    126.062  ?       ?       30.257  11.835  0.000000       11.83502 
1 1 1 -22 -27 39 o 53.589  6.4158  404.583    81.765   450.476    167.473  390.220    93.690   44.395  13.951  51.011  7.8188  -6.616211      15.99233 
1 1 1 -22 -27 40 o 29.728  11.997  186.375    133.532  186.375    133.532  0.0000     0.0000   29.728  11.997  ?       ?       0.000000       11.99749 
1 1 1 -22 -27 41 o 17.140  8.3438  -99.3886   111.232  -99.3886   111.232  0.0000     0.0000   17.140  8.3438  ?       ?       0.000000       8.343782 
1 1 1 -22 -27 42 o 25.660  11.112  118.807    127.473  118.807    127.473  0.0000     0.0000   25.660  11.112  ?       ?       0.000000       11.11202 
1 1 1 -22 -27 43 o 23.340  9.9075  84.732     97.618   78.964     249.534  85.775     106.071  25.307  12.358  23.544  10.166  1.763302       16.00243 
1 1 1 -22 -27 44 o 21.687  8.6150  71.289     67.735   -93.3934   251.559  84.162     70.332   22.566  11.264  22.816  8.8633  -0.2496624     14.33300 
1 1 1 -22 -27 45 o 22.273  8.8055  79.592     70.449   325.727    239.185  56.211     73.720   29.579  13.759  20.558  8.6614  9.020679       16.25809 
1 1 1 -22 -27 46 f 64.272  5.3715  573.271    83.001   834.023    172.580  494.809    94.669   65.635  11.241  57.400  6.9380  8.235081       13.20957 
1 1 1 -22 -27 47 o 22.508  7.5548  81.918     48.680   -72.3449   131.665  106.344    52.392   18.327  8.9556  25.357  7.7760  -7.030111      11.86038 
1 1 1 -22 -27 48 o 16.251  7.1465  16.178     54.489   -148.3076  131.648  50.181     59.856   16.663  8.2896  19.185  7.9220  -2.522169      11.46631 
1 1 1 -22 -27 49 o 22.788  8.4414  90.777     61.976   12.110     128.831  114.464    70.694   20.068  9.5639  24.725  9.0395  -4.657877      13.15981 
1 1 1 -22 -27 50 o 18.249  7.7094  41.036     58.657   111.743    136.954  25.152     64.912   23.330  10.693  17.504  7.7441  5.825699       13.20292 
1 1 1 -22 -27 51 o 18.149  7.7188  39.646     59.453   14.844     133.043  45.834     66.458   20.106  9.6199  18.922  8.1067  1.184488       12.58018 
1 1 1 -22 -27 52 o 15.235  7.1714  -22.4445   68.278   0.0000     0.0000   -22.4445   68.278   ?       ?       15.235  7.1714  0.000000       7.171407 
1 1 1 -22 -27 53 f 21.142  9.1101  72.401     84.831   0.0000     0.0000   72.401     84.831   ?       ?       21.142  9.1101  0.000000       9.110130 
1 1 1 -22 -27 54 o 22.776  9.5535  97.528     89.043   0.0000     0.0000   97.528     89.043   ?       ?       22.776  9.5535  0.000000       9.553518 
1 1 1 -22 -27 55 o 13.509  6.4357  -38.6840   58.220   -74.9124   133.994  -30.2530   64.640   18.019  8.8523  14.572  6.8951  3.447742       11.22075 
1 1 1 -22 -27 56 o 18.563  7.9524  42.618     63.945   29.613     146.699  45.669     71.051   20.820  9.9982  19.072  8.2775  1.747849       12.98003 
1 1 1 -22 -27 57 o 14.862  7.4095  -146.2879  107.536  -756.6721  278.769  -39.5813   116.557  ?       ?       17.803  8.6374  0.000000       8.637417 
1 1 1 -22 -27 58 o 29.347  11.575  240.173    121.470  338.623    312.828  222.694    131.812  24.773  12.395  27.457  11.576  -2.684456      16.95945 
1 1 1 -22 -27 59 o 16.591  8.1325  -59.5853   111.096  -49.0380   267.225  -61.7892   122.153  20.499  10.394  17.085  8.4049  3.413631       13.36717 
1 1 1 -22 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -26 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -26 4  o 14.194  6.0091  12.034     35.761   0.0000     0.0000   12.034     35.761   ?       ?       14.194  6.0091  0.000000       6.009149 
1 1 1 -22 -26 5  o 28.083  6.4919  115.403    43.351   241.438    131.341  99.994     45.924   32.729  12.256  25.658  7.1237  7.071171       14.17585 
1 1 1 -22 -26 6  o 37.305  5.6336  192.427    49.406   62.280     96.020   239.291    57.619   22.410  9.6743  41.425  5.8990  -19.01515      11.33099 
1 1 1 -22 -26 7  o 36.041  8.4626  205.154    72.741   203.825    132.191  205.730    87.117   30.979  12.119  34.404  9.9018  -3.424810      15.64958 
1 1 1 -22 -26 8  o 18.038  7.8485  18.370     64.201   -9.0913    116.184  30.442     77.030   20.533  9.5639  19.821  8.6106  0.7123051      12.86903 
1 1 1 -22 -26 9  o 9.7184  4.5979  -28.4129   28.723   -53.8753   83.811   -25.0244   30.574   16.442  7.8008  10.342  4.8460  6.100430       9.183501 
1 1 1 -22 -26 10 o 15.090  6.2830  15.417     38.101   17.652     93.455   14.972     41.726   20.445  9.1527  15.510  6.5245  4.934791       11.24017 
1 1 1 -22 -26 11 o 16.860  6.5312  31.297     38.107   24.313     96.716   32.580     41.461   21.082  9.3835  17.314  6.7832  3.768259       11.57846 
1 1 1 -22 -26 12 o 11.019  5.0845  -19.2512   31.689   -263.3845  80.339   25.730     34.485   11.122  5.6458  15.848  6.1925  -4.726268      8.379878 
1 1 1 -22 -26 13 o 14.941  6.2854  12.261     38.729   45.512     148.081  9.8194     40.126   24.708  11.246  14.903  6.3398  9.804453       12.90999 
1 1 1 -22 -26 14 o 32.078  6.0968  142.197    45.720   61.456     98.291   164.490    51.647   23.434  9.9441  34.330  6.4368  -10.89550      11.84553 
1 1 1 -22 -26 15 o 12.430  5.6579  -15.5049   37.483   -144.8921  150.163  -6.9071    38.709   19.628  9.5856  13.291  5.9244  6.337454       11.26867 
1 1 1 -22 -26 16 o 63.291  4.3950  515.791    67.076   499.149    124.866  522.541    79.524   56.959  9.3600  62.939  5.2554  -5.979752      10.73449 
1 1 1 -22 -26 17 o 36.664  8.3925  201.802    73.050   366.570    164.809  161.518    81.492   42.009  13.895  31.657  9.6964  10.35217       16.94412 
1 1 1 -22 -26 18 o 19.102  7.6989  36.914     54.908   -85.3732   106.519  81.166     64.077   17.895  8.5739  23.843  8.6229  -5.948400      12.16001 
1 1 1 -22 -26 19 o 30.446  7.0226  132.245    50.821   176.097    121.861  123.012    55.915   31.489  11.803  28.878  7.7973  2.610889       14.14569 
1 1 1 -22 -26 20 o 19.839  6.9214  52.087     40.955   -61.2359   76.996   96.798     48.364   15.760  7.4770  25.859  7.3571  -10.09894      10.48968 
1 1 1 -22 -26 21 o 22.347  7.3334  70.160     45.938   36.791     77.949   87.917     56.861   20.932  8.8673  24.563  8.1637  -3.631372      12.05297 
1 1 1 -22 -26 22 o 16.302  7.0691  6.9316     51.731   -14.5272   96.504   15.584     61.280   19.663  8.9993  18.022  7.7544  1.641613       11.87931 
1 1 1 -22 -26 23 o 31.467  7.7902  145.185    59.162   43.002     104.275  193.692    71.845   23.003  10.006  36.022  8.3781  -13.01876      13.05017 
1 1 1 -22 -26 24 f 61.627  7.7080  541.547    112.739  415.150    229.937  581.549    129.354  40.444  15.934  62.600  8.7558  -22.15524      18.18104 
1 1 1 -22 -26 25 o 33.428  10.269  183.578    91.322   139.988    215.776  193.090    100.795  30.117  13.657  33.754  10.847  -3.636410      17.44063 
1 1 1 -22 -26 26 o 14.772  7.0970  -78.7860   74.101   -47.9789   186.336  -84.5732   80.761   24.098  11.489  15.360  7.3868  8.737996       13.65908 
1 1 1 -22 -26 27 o 21.609  7.8039  62.759     52.456   71.260     106.380  60.029     60.296   24.658  10.398  21.673  8.2614  2.984444       13.28006 
1 1 1 -22 -26 28 o 18.780  7.5546  35.074     52.761   -96.5518   105.425  79.057     60.942   17.497  8.4209  23.610  8.4245  -6.112701      11.91154 
1 1 1 -22 -26 29 o 31.118  8.2639  145.310    63.446   202.398    113.328  119.249    76.571   33.792  11.526  27.683  9.4741  6.108206       14.92004 
1 1 1 -22 -26 30 o 22.941  8.2928  73.392     59.255   44.838     106.671  86.136     71.261   23.150  10.094  24.477  9.0547  -1.327185      13.56007 
1 1 1 -22 -26 31 o 39.867  7.2668  226.373    67.705   129.995    122.696  268.568    81.185   28.396  11.486  42.742  8.1252  -14.34591      14.06942 
1 1 1 -22 -26 32 f 55.711  5.6239  414.523    74.981   374.556    132.878  433.195    90.823   46.074  11.826  55.775  6.8554  -9.700775      13.66945 
1 1 1 -22 -26 33 o 15.020  6.9716  -31.7297   60.879   -38.0410   110.743  -28.9963   72.879   19.733  9.2392  16.605  7.6790  3.128387       12.01378 
1 1 1 -22 -26 34 f 48.858  6.5626  330.863    75.833   331.987    138.329  330.380    90.673   41.703  12.604  47.263  8.2042  -5.560146      15.03861 
1 1 1 -22 -26 35 o 28.313  8.7844  124.955    66.641   51.622     124.753  154.236    78.830   24.051  10.683  30.823  9.5526  -6.772247      14.33134 
1 1 1 -22 -26 36 o 13.209  6.3586  -68.8696   60.196   -203.9197  136.526  -36.2804   67.066   17.348  8.5985  15.500  7.2352  1.848239       11.23754 
1 1 1 -22 -26 37 o 20.684  9.3097  13.710     98.132   170.270    192.795  -41.0338   114.005  29.710  13.234  19.631  9.2488  10.07839       16.14569 
1 1 1 -22 -26 38 o 22.243  9.7267  44.921     99.696   126.423    185.542  11.839     118.210  27.921  12.662  21.734  9.9519  6.186747       16.10499 
1 1 1 -22 -26 39 o 26.665  12.364  91.832     190.786  91.832     190.786  0.0000     0.0000   26.665  12.364  ?       ?       0.000000       12.36405 
1 1 1 -22 -26 40 o 36.845  12.796  292.079    139.908  292.079    139.908  0.0000     0.0000   36.845  12.796  ?       ?       0.000000       12.79630 
1 1 1 -22 -26 41 o 22.320  10.215  30.768     124.353  30.768     124.353  0.0000     0.0000   22.320  10.215  ?       ?       0.000000       10.21526 
1 1 1 -22 -26 42 o 45.555  6.7389  299.100    72.240   282.828    144.162  304.556    83.478   35.001  12.891  44.594  8.0092  -9.593975      15.17687 
1 1 1 -22 -26 43 o 34.318  9.4990  202.964    81.787   451.229    260.328  175.777    86.149   34.297  15.320  31.114  10.031  3.182907       18.31234 
1 1 1 -22 -26 44 o 19.866  8.0720  50.350     60.895   -88.8684   243.299  59.654     62.897   22.845  11.349  20.747  8.2826  2.097725       14.05025 
1 1 1 -22 -26 45 o 14.072  6.8547  -86.0810   75.405   -61.5228   221.270  -89.3077   80.206   22.427  11.085  14.477  7.0556  7.949804       13.14005 
1 1 1 -22 -26 46 o 28.422  8.3465  135.066    61.345   163.577    130.280  126.944    69.536   27.116  11.474  26.832  9.0291  0.2840691      14.60075 
1 1 1 -22 -26 47 o 13.762  6.4769  -31.1316   55.636   86.590     130.451  -57.3050   61.511   23.320  10.592  13.355  6.4284  9.965422       12.38983 
1 1 1 -22 -26 48 o 13.641  6.4040  -27.8248   53.822   -42.2932   123.504  -24.4328   59.799   18.687  9.0231  14.514  6.7934  4.173861       11.29452 
1 1 1 -22 -26 49 o 17.788  7.5707  33.770     57.273   81.701     131.345  22.517     63.642   22.653  10.416  17.431  7.6920  5.222427       12.94822 
1 1 1 -22 -26 50 o 18.707  8.0278  41.084     65.363   37.561     138.952  42.085     74.070   21.204  10.055  19.184  8.3867  2.019979       13.09387 
1 1 1 -22 -26 51 o 23.580  8.9198  101.676    69.952   0.0000     0.0000   101.676    69.952   ?       ?       23.580  8.9198  0.000000       8.919766 
1 1 1 -22 -26 52 o 15.223  7.0586  -11.9630   62.183   0.0000     0.0000   -11.9630   62.183   ?       ?       15.223  7.0586  0.000000       7.058646 
1 1 1 -22 -26 53 o 22.252  9.4145  87.535     87.686   0.0000     0.0000   87.535     87.686   ?       ?       22.252  9.4145  0.000000       9.414461 
1 1 1 -22 -26 54 o 24.160  9.7989  115.797    89.553   152.498    214.532  108.053    98.549   24.458  11.830  23.508  9.9653  0.9500637      15.46799 
1 1 1 -22 -26 55 o 26.151  9.0345  127.714    69.696   180.313    141.991  111.018    79.996   26.265  11.544  24.097  9.4272  2.167995       14.90397 
1 1 1 -22 -26 56 o 14.524  6.8369  -26.2327   62.053   -93.2505   128.685  -5.9283    70.832   17.449  8.5923  16.295  7.5479  1.154119       11.43665 
1 1 1 -22 -26 57 f 20.140  9.1225  48.629     95.972   -102.5034  142.049  175.555    130.176  17.810  8.8173  26.044  11.254  -8.233917      14.29649 
1 1 1 -22 -26 58 o 16.754  8.0941  -42.9676   99.720   -340.9185  324.793  -11.9583   104.781  ?       ?       17.983  8.5855  0.000000       8.585450 
1 1 1 -22 -26 59 o 25.652  10.740  171.032    112.220  237.834    377.008  164.538    117.549  ?       ?       25.033  10.755  0.000000       10.75475 
1 1 1 -22 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -25 4  o 24.163  7.5309  89.237     48.916   0.0000     0.0000   89.237     48.916   ?       ?       24.163  7.5309  0.000000       7.530885 
1 1 1 -22 -25 5  o 19.655  6.3546  54.438     34.552   68.253     114.286  53.048     36.248   23.609  10.367  19.465  6.5192  4.144171       12.24635 
1 1 1 -22 -25 6  o 14.961  5.9938  20.589     33.063   -71.7107   69.618   47.470     37.570   14.201  6.8365  18.779  6.6239  -4.578178      9.519083 
1 1 1 -22 -25 7  o 14.809  6.6999  -11.0199   51.592   -57.4570   77.571   25.816     69.089   15.702  7.4659  19.090  8.2239  -3.388000      11.10728 
1 1 1 -22 -25 8  o 17.998  7.4743  27.951     53.716   370.693    125.378  -49.1070   59.449   45.776  11.345  13.897  6.5864  31.87874       13.11862 
1 1 1 -22 -25 9  o 25.219  6.4956  90.547     39.990   -12.4128   93.831   113.399    44.206   19.244  8.8318  28.232  6.5756  -8.987627      11.01089 
1 1 1 -22 -25 10 o 28.483  6.2917  113.698    42.322   2.3147     89.334   145.931    48.057   19.635  8.8559  32.330  6.3527  -12.69529      10.89879 
1 1 1 -22 -25 11 o 23.008  6.9767  75.567     42.335   58.820     90.961   80.197     47.831   22.987  9.6496  23.554  7.4622  -0.5663147     12.19835 
1 1 1 -22 -25 12 o 46.567  5.1985  286.557    57.736   242.270    134.167  296.622    63.961   35.532  12.519  46.988  5.7287  -11.45583      13.76745 
1 1 1 -22 -25 13 o 17.754  7.0931  30.987     46.164   43.636     152.186  29.705     48.446   25.204  11.445  17.851  7.2187  7.353222       13.53096 
1 1 1 -22 -25 14 o 58.196  4.5643  437.277    63.934   473.592    119.141  422.591    75.768   56.036  9.0726  56.351  5.6162  -0.3147697     10.67025 
1 1 1 -22 -25 15 o 61.388  4.4060  484.004    65.192   421.169    121.036  509.682    77.374   51.821  9.9882  62.375  5.1587  -10.55366      11.24168 
1 1 1 -22 -25 16 o 28.341  6.8481  113.700    46.567   136.396    110.025  108.747    51.398   29.040  11.138  27.375  7.5111  1.665010       13.43404 
1 1 1 -22 -25 17 o 13.873  6.3441  -20.6534   47.825   -72.2534   96.482   -3.8455    55.066   17.493  8.3199  15.995  7.1016  1.498105       10.93863 
1 1 1 -22 -25 18 f 20.781  8.0409  51.432     57.710   69.780     113.887  45.093     66.941   25.055  10.670  20.846  8.4659  4.209612       13.62063 
1 1 1 -22 -25 19 o 11.177  5.4450  -74.4701   47.613   -73.0994   98.386   -74.8893   54.408   17.677  8.4057  12.255  5.9350  5.422219       10.28984 
1 1 1 -22 -25 20 o 15.443  6.6791  4.9711     45.938   -10.4238   109.726  8.2429     50.584   21.021  9.6115  16.319  7.0335  4.701231       11.91011 
1 1 1 -22 -25 21 o 31.175  6.8485  136.474    50.389   30.638     85.427   192.941    62.400   21.238  9.1468  36.972  7.2147  -15.73451      11.64974 
1 1 1 -22 -25 22 o 22.881  8.0116  72.343     54.896   169.141    100.949  31.698     65.414   31.935  10.878  19.711  8.2220  12.22383       13.63599 
1 1 1 -22 -25 23 o 24.053  7.7493  82.485     51.418   216.395    103.011  38.051     59.339   36.038  10.873  19.714  7.9831  16.32381       13.48885 
1 1 1 -22 -25 24 o 22.804  9.2747  58.775     80.493   121.077    189.633  45.083     88.899   29.567  13.151  22.381  9.4748  7.185652       16.20847 
1 1 1 -22 -25 25 o 23.831  9.4929  71.226     82.451   61.676     195.030  73.304     90.982   27.732  12.729  24.356  9.8774  3.375376       16.11196 
1 1 1 -22 -25 26 o 27.574  10.083  115.943    87.958   129.852    202.887  112.723    97.608   30.070  13.472  27.398  10.495  2.671791       17.07738 
1 1 1 -22 -25 27 o 16.729  7.3037  4.6581     56.011   53.133     102.471  -15.9956   66.887   23.637  10.095  16.747  7.5977  6.890219       12.63463 
1 1 1 -22 -25 28 o 23.024  8.3215  72.601     59.663   43.422     108.755  85.164     71.359   23.439  10.207  24.584  9.0676  -1.144968      13.65296 
1 1 1 -22 -25 29 o 33.409  7.8797  162.826    62.839   102.637    114.753  188.605    75.101   26.991  11.037  35.314  8.7972  -8.322681      14.11390 
1 1 1 -22 -25 30 o 24.002  8.3675  81.972     59.850   166.386    109.861  46.346     71.370   31.343  11.298  21.246  8.6978  10.09667       14.25787 
1 1 1 -22 -25 31 o 26.191  8.5297  101.876    62.190   9.4513     111.056  144.101    75.064   21.888  9.8729  30.416  9.3044  -8.528250      13.56632 
1 1 1 -22 -25 32 o 60.530  5.4944  484.609    79.817   549.801    140.430  453.499    97.010   59.183  10.144  56.945  7.1807  2.237793       12.42852 
1 1 1 -22 -25 33 f 65.061  5.5837  561.550    87.293   692.098    164.413  510.303    103.011  65.572  10.703  60.392  7.1698  5.179707       12.88253 
1 1 1 -22 -25 34 o 29.022  8.8712  129.709    68.252   253.242    139.331  90.708     78.288   36.231  12.758  25.043  9.4453  11.18768       15.87428 
1 1 1 -22 -25 35 o 49.298  6.5895  335.625    76.849   193.731    150.107  386.027    89.463   31.936  12.779  52.275  7.2483  -20.33858      14.69183 
1 1 1 -22 -25 36 o 17.890  7.8250  10.071     64.557   84.581     137.304  -11.0758   73.146   26.168  11.430  17.533  7.9508  8.634773       13.92316 
1 1 1 -22 -25 37 o 43.264  10.836  317.319    113.511  331.982    200.651  310.418    137.655  36.932  14.776  40.023  12.657  -3.090500      19.45608 
1 1 1 -22 -25 38 o 31.279  13.655  205.093    195.738  205.093    195.738  0.0000     0.0000   31.279  13.655  ?       ?       0.000000       13.65491 
1 1 1 -22 -25 39 o 25.760  12.071  44.580     189.654  44.580     189.654  0.0000     0.0000   25.760  12.071  ?       ?       0.000000       12.07063 
1 1 1 -22 -25 40 o 25.853  11.165  97.156     127.987  97.156     127.987  0.0000     0.0000   25.853  11.165  ?       ?       0.000000       11.16494 
1 1 1 -22 -25 41 o 13.231  6.3103  -52.7061   56.302   -266.9304  117.756  10.779     64.104   14.589  7.3401  17.591  7.7432  -3.002040      10.66930 
1 1 1 -22 -25 42 o 21.728  7.9244  68.320     54.281   88.644     120.439  63.139     60.807   24.823  10.775  21.382  8.2593  3.441553       13.57658 
1 1 1 -22 -25 43 o 49.024  8.3810  372.700    96.111   408.646    142.640  342.809    130.071  44.651  12.611  41.244  12.165  3.406837       17.52231 
1 1 1 -22 -25 44 o 33.457  10.796  213.495    99.765   216.605    225.981  212.742    111.186  28.900  13.420  32.385  11.398  -3.484684      17.60714 
1 1 1 -22 -25 45 o 30.350  10.636  178.669    96.762   211.994    211.377  169.835    108.835  28.468  13.134  28.962  11.085  -0.4938526     17.18684 
1 1 1 -22 -25 46 o 20.020  8.0702  53.459     60.342   -10.6880   143.719  67.187     66.486   21.060  10.055  21.399  8.5243  -0.3395729     13.18180 
1 1 1 -22 -25 47 o 29.131  8.5923  143.886    64.886   56.594     153.712  162.813    71.575   23.032  10.816  30.552  9.0280  -7.520096      14.08873 
1 1 1 -22 -25 48 o 13.959  6.5332  -26.4534   55.278   -87.5327   137.217  -14.6208   60.395   18.507  9.0646  15.160  7.0035  3.347884       11.45497 
1 1 1 -22 -25 49 o 18.017  7.6683  34.082     58.758   -129.0538  149.998  63.652     63.861   18.186  9.0137  20.613  8.3046  -2.426884      12.25617 
1 1 1 -22 -25 50 o 21.202  8.7049  70.480     71.748   0.0000     0.0000   70.480     71.748   ?       ?       21.202  8.7049  0.000000       8.704947 
1 1 1 -22 -25 51 o 22.626  9.0114  89.690     74.289   0.0000     0.0000   89.690     74.289   ?       ?       22.626  9.0114  0.000000       9.011426 
1 1 1 -22 -25 52 o 29.299  9.5618  165.647    78.136   0.0000     0.0000   165.647    78.136   ?       ?       29.299  9.5618  0.000000       9.561797 
1 1 1 -22 -25 53 o 22.640  9.4287  91.143     85.829   34.161     198.871  104.186    95.146   22.320  10.928  23.436  9.8552  -1.116173      14.71534 
1 1 1 -22 -25 54 f 25.261  9.7820  126.454    85.459   241.888    162.294  82.168     100.524  28.332  12.399  22.234  9.7438  6.098639       15.76981 
1 1 1 -22 -25 55 o 42.532  7.6580  287.700    76.123   341.064    150.565  269.376    88.231   34.464  13.074  38.479  9.5057  -4.014996      16.16472 
1 1 1 -22 -25 56 f 12.074  5.8852  -69.4432   55.830   -200.4519  130.437  -40.0578   61.775   15.724  7.8865  13.947  6.6402  1.776543       10.30966 
1 1 1 -22 -25 57 o 21.930  8.3695  81.800     61.931   54.127     142.094  88.290     68.811   21.667  10.243  22.424  8.7514  -0.7574425     13.47270 
1 1 1 -22 -25 58 o 20.211  9.3827  40.881     110.339  -110.0013  359.391  56.582     115.938  ?       ?       20.950  9.6873  0.000000       9.687262 
1 1 1 -22 -25 59 o 21.855  9.7650  89.846     105.831  -42.1315   368.684  101.697    110.480  ?       ?       22.405  9.9964  0.000000       9.996412 
1 1 1 -22 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -24 4  o 22.649  7.2992  75.347     45.616   0.0000     0.0000   75.347     45.616   ?       ?       22.649  7.2992  0.000000       7.299199 
1 1 1 -22 -24 5  o 18.920  6.2411  48.901     33.256   149.086    93.442   34.370     35.586   29.312  10.435  16.993  6.3763  12.31956       12.22865 
1 1 1 -22 -24 6  o 10.810  4.9851  -18.4438   30.396   28.093     68.064   -30.0366   33.971   19.294  8.2334  10.750  5.0597  8.544050       9.663803 
1 1 1 -22 -24 7  o 17.357  6.8320  31.644     42.238   70.853     60.828   -4.8662    58.697   22.558  8.3615  16.221  7.2582  6.336790       11.07229 
1 1 1 -22 -24 8  o 22.948  8.1261  74.820     56.598   84.364     132.375  72.685     62.609   25.988  11.289  22.871  8.4819  3.117117       14.12014 
1 1 1 -22 -24 9  o 29.974  5.9224  123.207    41.546   53.563     86.745   143.938    47.327   22.523  9.4374  32.243  6.2752  -9.720249      11.33322 
1 1 1 -22 -24 10 o 14.291  5.8981  13.030     33.154   -36.9508   79.826   23.449     36.446   17.081  7.9464  15.913  6.3200  1.167438       10.15322 
1 1 1 -22 -24 11 o 50.792  4.5701  333.304    55.720   302.440    104.061  345.710    65.975   43.645  10.036  51.136  5.3989  -7.490707      11.39593 
1 1 1 -22 -24 12 o 32.824  6.3394  148.490    48.662   81.874     113.899  163.364    53.821   25.695  10.793  34.226  6.7208  -8.530815      12.71421 
1 1 1 -22 -24 13 o 54.191  4.5467  378.193    59.232   342.151    109.913  392.944    70.315   46.749  9.9928  54.632  5.3740  -7.882847      11.34612 
1 1 1 -22 -24 14 o 54.475  4.6794  383.136    61.251   324.142    115.396  406.276    72.272   44.643  10.776  55.538  5.4326  -10.89553      12.06790 
1 1 1 -22 -24 15 o 43.316  5.8272  250.945    59.691   341.152    177.032  239.375    63.404   40.594  14.372  41.874  6.4472  -1.279678      15.75194 
1 1 1 -22 -24 16 o 25.557  7.0854  92.596     45.467   133.471    81.070   73.841     54.916   29.325  9.7479  23.098  8.0173  6.226494       12.62132 
1 1 1 -22 -24 17 o 62.156  6.0773  516.523    90.483   449.569    153.252  552.353    112.109  50.776  12.518  62.835  7.5015  -12.05896      14.59395 
1 1 1 -22 -24 18 o 27.250  9.0534  110.752    69.933   -11.4794   115.452  181.594    87.893   21.527  9.8490  33.856  10.004  -12.32881      14.03890 
1 1 1 -22 -24 19 o 16.672  7.4887  -10.4867   63.120   -2.6935    104.963  -14.9014   79.000   21.127  9.5577  18.218  8.2621  2.909302       12.63376 
1 1 1 -22 -24 20 o 49.787  5.0119  322.366    59.723   320.914    101.912  323.125    73.705   46.052  9.4375  48.883  6.3650  -2.831329      11.38328 
1 1 1 -22 -24 21 o 37.094  5.6186  183.186    48.986   102.780    88.750   218.415    58.745   26.666  10.057  40.178  6.2274  -13.51191      11.82875 
1 1 1 -22 -24 22 o 41.224  5.5224  224.900    53.850   199.142    93.912   237.519    65.730   35.267  10.319  41.576  6.7469  -6.308617      12.32858 
1 1 1 -22 -24 23 o 14.940  6.5925  -3.6481    46.740   -97.6422   93.058   28.064     54.053   16.442  7.9128  18.439  7.5613  -1.996891      10.94467 
1 1 1 -22 -24 24 o 30.457  7.5483  132.975    55.501   173.609    108.310  118.507    64.631   32.350  11.258  28.248  8.6323  4.101753       14.18625 
1 1 1 -22 -24 25 o 35.566  10.937  208.730    103.560  0.0000     0.0000   208.730    103.560  ?       ?       35.566  10.937  0.000000       10.93683 
1 1 1 -22 -24 26 o 44.909  10.675  322.917    114.618  0.0000     0.0000   322.917    114.618  ?       ?       44.909  10.675  0.000000       10.67538 
1 1 1 -22 -24 27 o 25.361  10.192  82.757     95.929   0.0000     0.0000   82.757     95.929   ?       ?       25.361  10.192  0.000000       10.19214 
1 1 1 -22 -24 28 o 29.885  8.4609  132.646    64.127   11.796     133.071  169.200    73.185   23.609  10.713  33.513  8.8638  -9.904558      13.90448 
1 1 1 -22 -24 29 o 73.244  4.9753  694.583    87.897   515.633    150.595  787.041    108.248  56.117  11.448  77.098  5.8295  -20.98101      12.84649 
1 1 1 -22 -24 30 o 24.884  8.6672  88.555     64.208   158.894    120.510  60.673     75.874   30.920  11.705  22.758  9.0931  8.162046       14.82190 
1 1 1 -22 -24 31 o 45.220  6.9771  283.349    74.092   289.023    148.416  281.465    85.509   39.016  13.191  43.961  8.3211  -4.945145      15.59607 
1 1 1 -22 -24 32 o 55.253  5.9359  407.924    78.333   458.284    149.275  388.787    92.020   51.704  12.111  52.645  7.4088  -0.9403000     14.19748 
1 1 1 -22 -24 33 o 59.305  5.8837  469.265    83.548   575.925    158.678  428.354    98.273   59.041  11.490  55.103  7.5485  3.937843       13.74754 
1 1 1 -22 -24 34 o 41.665  7.6777  248.532    74.759   183.951    144.904  271.957    87.270   31.987  12.634  42.710  8.7162  -10.72317      15.34894 
1 1 1 -22 -24 35 o 61.787  5.8186  509.551    86.205   401.414    169.264  547.423    100.169  44.639  14.025  63.227  6.6278  -18.58821      15.51190 
1 1 1 -22 -24 36 f 22.281  8.6580  62.947     67.128   27.678     139.764  73.522     76.533   24.166  10.971  23.589  9.2229  0.5770416      14.33261 
1 1 1 -22 -24 37 o 31.919  13.741  200.747    192.631  200.747    192.631  0.0000     0.0000   31.919  13.741  ?       ?       0.000000       13.74119 
1 1 1 -22 -24 38 o 23.901  11.370  -33.9776   180.327  -33.9776   180.327  0.0000     0.0000   23.901  11.370  ?       ?       0.000000       11.36960 
1 1 1 -22 -24 39 f 26.423  12.007  73.494     167.947  73.494     167.947  0.0000     0.0000   26.423  12.007  ?       ?       0.000000       12.00750 
1 1 1 -22 -24 40 o 23.482  8.8996  78.839     69.720   -23.6940   115.649  137.378    87.384   20.415  9.5199  28.711  10.105  -8.296389      13.88280 
1 1 1 -22 -24 41 o 20.438  7.9741  52.416     57.118   55.236     133.597  51.786     63.184   24.227  10.888  20.715  8.2905  3.511810       13.68469 
1 1 1 -22 -24 42 o 38.085  7.5724  214.833    67.512   300.971    140.413  188.932    76.996   37.818  12.830  34.163  9.1183  3.654533       15.74020 
1 1 1 -22 -24 43 f 23.998  8.2736  88.543     58.436   68.644     133.602  93.251     64.982   24.316  10.910  24.434  8.7013  -0.1178093     13.95537 
1 1 1 -22 -24 44 o 35.871  11.185  245.666    107.892  210.455    232.226  255.358    121.840  29.250  13.590  35.265  11.951  -6.014841      18.09744 
1 1 1 -22 -24 45 o 19.847  8.8998  21.934     88.749   2.1187     215.308  25.990     97.409   24.070  11.692  20.555  9.2615  3.514477       14.91584 
1 1 1 -22 -24 46 o 20.318  8.2215  54.104     62.883   64.399     142.104  51.597     70.122   23.596  10.844  20.452  8.5203  3.144407       13.79056 
1 1 1 -22 -24 47 o 24.423  8.4982  98.434     61.720   18.928     150.065  114.621    67.712   22.123  10.479  25.890  8.9072  -3.767237      13.75316 
1 1 1 -22 -24 48 o 28.239  8.6064  135.639    64.303   79.657     148.245  148.613    71.367   23.660  10.945  29.028  9.1045  -5.367132      14.23708 
1 1 1 -22 -24 49 o 25.193  9.2900  114.756    74.895   0.0000     0.0000   114.756    74.895   ?       ?       25.193  9.2900  0.000000       9.289964 
1 1 1 -22 -24 50 o 21.194  8.5132  69.589     66.893   0.0000     0.0000   69.589     66.893   ?       ?       21.194  8.5132  0.000000       8.513237 
1 1 1 -22 -24 51 o 16.432  7.5281  -1.6226    67.763   0.0000     0.0000   -1.6226    67.763   ?       ?       16.432  7.5281  0.000000       7.528099 
1 1 1 -22 -24 52 o 20.634  8.4298  64.268     66.870   205.916    154.922  31.835     74.131   27.400  12.050  18.709  8.2764  8.691389       14.61841 
1 1 1 -22 -24 53 o 15.135  7.1403  -29.6236   68.387   -37.9643   156.559  -27.6569   76.023   20.089  9.8054  15.924  7.5176  4.164065       12.35554 
1 1 1 -22 -24 54 o 14.373  6.9398  -61.8563   73.060   279.092    162.203  -148.6350  81.832   30.293  12.810  12.904  6.4382  17.38929       14.33686 
1 1 1 -22 -24 55 o 15.033  7.0243  -21.5754   63.468   -105.9848  138.611  0.8168     71.392   17.990  8.8702  16.864  7.7264  1.125963       11.76337 
1 1 1 -22 -24 56 o 12.017  5.8540  -69.1450   55.043   -100.2117  133.436  -62.7746   60.424   17.805  8.7640  12.939  6.2633  4.866291       10.77205 
1 1 1 -22 -24 57 o 20.651  8.4707  65.219     67.861   144.969    155.365  46.418     75.437   24.883  11.399  19.578  8.5131  5.305370       14.22745 
1 1 1 -22 -24 58 f 25.516  10.972  155.154    122.528  787.175    370.065  77.338     129.852  30.353  14.870  22.156  10.248  8.196253       18.05938 
1 1 1 -22 -24 59 f 20.558  9.3687  57.434     103.166  -196.3715  363.376  79.686     107.593  ?       ?       21.613  9.7362  0.000000       9.736232 
1 1 1 -22 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -23 5  o 15.409  5.8691  25.526     30.417   -109.7635  80.466   48.080     32.854   14.431  7.0408  18.888  6.2020  -4.456769      9.382849 
1 1 1 -22 -23 6  o 45.661  4.3035  268.631    47.117   293.805    97.244   260.908    53.861   43.314  9.5131  44.497  5.0796  -1.183640      10.78434 
1 1 1 -22 -23 7  o 56.811  5.4641  427.620    74.391   376.610    108.508  472.859    102.186  49.536  9.3709  57.770  7.4645  -8.233513      11.98051 
1 1 1 -22 -23 8  o 77.141  6.1535  800.918    114.221  906.117    213.197  758.566    135.273  71.968  12.672  73.025  7.7530  -1.056557      14.85541 
1 1 1 -22 -23 9  f 56.642  4.2995  410.607    58.649   436.409    111.727  400.793    68.906   54.309  8.7780  55.307  5.1956  -0.9981270     10.20037 
1 1 1 -22 -23 10 o 30.071  5.8843  122.857    41.397   -20.3878   87.393   164.297    47.005   18.721  8.5664  34.970  5.7388  -16.24950      10.31103 
1 1 1 -22 -23 11 o 72.396  4.0988  665.386    71.704   641.537    126.261  676.740    87.115   67.255  7.8869  72.240  5.0007  -4.985664      9.338645 
1 1 1 -22 -23 12 o 50.982  4.5530  334.201    55.729   391.271    104.476  311.504    65.886   51.761  8.6219  48.442  5.7155  3.319874       10.34423 
1 1 1 -22 -23 13 o 55.664  4.5316  397.536    60.675   362.060    111.659  412.400    72.278   48.631  9.8013  56.095  5.3761  -7.463970      11.17895 
1 1 1 -22 -23 14 o 21.302  7.1796  61.071     43.966   136.268    103.396  44.473     48.577   29.490  10.907  19.565  7.4254  9.924200       13.19491 
1 1 1 -22 -23 15 o 54.453  4.6304  381.047    60.599   193.218    103.215  479.852    74.860   34.287  10.972  60.775  5.1242  -26.48825      12.10991 
1 1 1 -22 -23 16 o 66.311  4.3218  559.906    69.157   505.988    115.689  589.888    86.268   59.546  8.2269  67.259  5.3297  -7.713402      9.802427 
1 1 1 -22 -23 17 o 45.063  7.8003  287.372    82.202   254.851    133.511  307.227    104.319  37.889  12.505  44.757  9.8711  -6.868080      15.93182 
1 1 1 -22 -23 18 o 21.106  8.4080  47.584     64.687   75.838     106.820  31.223     81.287   25.514  10.563  21.173  9.0156  4.341040       13.88740 
1 1 1 -22 -23 19 o 22.567  8.6842  62.381     67.026   119.543    112.043  30.524     83.644   28.508  11.156  21.327  9.1147  7.181452       14.40585 
1 1 1 -22 -23 20 o 23.556  7.2327  77.330     45.310   53.408     77.761   89.627     55.752   22.482  9.1265  25.106  8.0673  -2.623781      12.18094 
1 1 1 -22 -23 21 o 44.584  5.8144  263.809    61.403   260.289    133.105  264.761    69.207   38.460  12.476  44.090  6.6783  -5.630188      14.15123 
1 1 1 -22 -23 22 o 20.712  7.3357  55.259     46.125   -70.5310   80.697   116.297    56.213   16.062  7.6303  28.408  7.8793  -12.34618      10.96840 
1 1 1 -22 -23 23 o 18.948  7.6624  32.397     54.587   -123.2826  92.830   114.680    67.488   15.720  7.6458  27.884  8.8670  -12.16389      11.70826 
1 1 1 -22 -23 24 o 40.576  6.6874  224.900    63.547   210.975    108.520  232.166    78.394   35.762  11.229  40.055  8.3373  -4.292515      13.98541 
1 1 1 -22 -23 25 o 19.979  8.6663  16.672     77.799   -252.8450  182.168  76.795     86.040   20.339  10.054  24.700  9.7419  -4.360817      13.99975 
1 1 1 -22 -23 26 o 18.679  8.3663  -6.3117    78.191   -99.5913   176.093  16.596     87.265   23.005  11.023  20.796  9.0970  2.208992       14.29184 
1 1 1 -22 -23 27 o 28.561  10.200  123.433    89.363   101.570    195.236  129.227    100.509  29.633  13.250  29.071  10.754  0.5615330      17.06477 
1 1 1 -22 -23 28 o 42.373  7.0275  247.972    69.722   85.247     131.797  311.206    82.159   27.018  11.492  47.253  7.4094  -20.23479      13.67318 
1 1 1 -22 -23 29 o 74.562  5.0111  718.426    90.132   847.956    159.090  657.197    109.380  76.571  8.7183  69.842  6.5303  6.728935       10.89276 
1 1 1 -22 -23 30 o 53.592  5.9378  381.952    75.915   367.314    146.708  387.304    88.716   45.519  12.766  53.043  7.0689  -7.524654      14.59262 
1 1 1 -22 -23 31 o 23.659  8.6783  75.465     65.234   176.370    127.641  39.791     75.895   32.262  12.082  21.282  8.8649  10.97987       14.98522 
1 1 1 -22 -23 32 o 58.657  5.9767  458.101    83.874   469.001    148.794  453.025    101.545  53.020  11.863  56.905  7.5400  -3.885471      14.05606 
1 1 1 -22 -23 33 o 58.206  6.3263  456.328    87.909   397.257    148.969  487.889    108.890  47.340  12.704  58.727  7.8373  -11.38704      14.92708 
1 1 1 -22 -23 34 o 79.748  5.2758  829.703    101.511  656.967    173.338  919.866    125.232  63.006  11.771  82.799  6.2802  -19.79368      13.34173 
1 1 1 -22 -23 35 o 41.774  7.8607  250.548    76.753   234.541    136.904  257.886    92.689   35.696  12.639  40.927  9.5142  -5.230644      15.81944 
1 1 1 -22 -23 36 o 62.848  10.215  616.576    150.428  616.576    150.428  0.0000     0.0000   62.848  10.215  ?       ?       0.000000       10.21526 
1 1 1 -22 -23 37 f 77.384  12.346  1028.69    224.023  1028.69    224.023  0.0000     0.0000   77.384  12.346  ?       ?       0.000000       12.34596 
1 1 1 -22 -23 38 o 72.277  12.878  928.356    217.563  928.356    217.563  0.0000     0.0000   72.277  12.878  ?       ?       0.000000       12.87772 
1 1 1 -22 -23 39 o 36.474  10.220  218.972    94.068   69.122     151.450  313.092    120.028  26.081  11.665  42.494  11.403  -16.41371      16.31300 
1 1 1 -22 -23 40 o 14.277  6.4074  -9.2454    46.103   -87.2107   117.692  4.8868     50.108   18.681  8.9669  15.859  6.9166  2.821724       11.32449 
1 1 1 -22 -23 41 o 12.436  5.9821  -62.3855   53.033   -38.3507   128.447  -67.3247   58.228   20.811  9.8082  13.000  6.2569  7.810499       11.63401 
1 1 1 -22 -23 42 o 41.703  6.9457  247.910    67.811   313.534    148.452  230.607    76.228   38.517  13.192  38.952  8.3183  -0.4342155     15.59524 
1 1 1 -22 -23 43 o 37.197  7.5828  205.112    66.117   330.777    148.573  174.079    73.831   39.226  13.198  32.882  8.9941  6.344345       15.97131 
1 1 1 -22 -23 44 f 54.967  9.5557  489.681    122.821  580.310    253.370  461.844    140.422  41.639  16.624  49.940  11.779  -8.301632      20.37394 
1 1 1 -22 -23 45 o 23.641  9.7988  81.893     92.070   -97.9850   220.525  119.867    101.324  22.783  11.225  26.262  10.503  -3.478411      15.37209 
1 1 1 -22 -23 46 o 15.955  7.1799  -2.2893    58.337   12.633     192.605  -3.7965    61.213   23.735  11.413  16.176  7.3099  7.559334       13.55323 
1 1 1 -22 -23 47 o 16.352  7.2443  7.4461     56.996   -131.0157  135.064  37.445     62.868   17.936  8.8265  18.982  7.9980  -1.045141      11.91114 
1 1 1 -22 -23 48 o 25.626  9.0543  113.264    70.228   0.0000     0.0000   113.264    70.228   ?       ?       25.626  9.0543  0.000000       9.054260 
1 1 1 -22 -23 49 f 21.803  8.7681  72.904     71.048   0.0000     0.0000   72.904     71.048   ?       ?       21.803  8.7681  0.000000       8.768061 
1 1 1 -22 -23 50 o 16.814  7.5313  9.5233     63.365   0.0000     0.0000   9.5233     63.365   ?       ?       16.814  7.5313  0.000000       7.531297 
1 1 1 -22 -23 51 o 16.191  7.4225  -4.7596    66.032   -64.9880   156.526  8.2795     72.830   19.763  9.6799  17.442  7.9190  2.320408       12.50641 
1 1 1 -22 -23 52 o 11.096  5.4893  -96.1677   54.669   -138.8597  126.702  -86.4013   60.601   16.725  8.2884  12.182  5.9784  4.542083       10.21951 
1 1 1 -22 -23 53 o 21.015  8.7309  66.116     73.344   -231.9870  152.412  155.953    83.669   16.693  8.3925  28.197  9.8898  -11.50426      12.97085 
1 1 1 -22 -23 54 o 31.948  10.357  204.931    91.741   269.893    184.258  183.519    105.785  29.081  12.947  28.835  10.954  0.2456856      16.95943 
1 1 1 -22 -23 55 o 27.307  9.1685  136.018    71.698   64.666     151.656  156.556    81.365   22.771  10.709  28.542  9.7662  -5.770987      14.49374 
1 1 1 -22 -23 56 o 19.019  7.9133  45.508     60.376   -104.7900  141.931  78.715     66.713   18.267  9.0005  21.967  8.6048  -3.700182      12.45201 
1 1 1 -22 -23 57 f 17.139  7.5094  21.581     59.676   27.733     154.094  20.495     64.727   21.606  10.342  17.447  7.7253  4.159098       12.90850 
1 1 1 -22 -23 58 o 13.837  6.9447  -190.6082  101.929  373.509    349.371  -243.0926  106.566  26.552  13.257  13.368  6.7565  13.18414       14.87937 
1 1 1 -22 -23 59 o 21.608  9.6464  76.724     103.036  -346.0002  361.822  114.029    107.486  ?       ?       23.488  10.187  0.000000       10.18746 
1 1 1 -22 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -22 5  o 29.435  5.1030  115.263    35.125   23.107     91.391   131.235    38.047   21.120  9.2722  31.414  5.1716  -10.29402      10.61695 
1 1 1 -22 -22 6  o 45.585  4.2008  266.035    45.942   231.906    87.034   279.218    54.091   38.758  9.3603  46.290  4.8898  -7.532734      10.56060 
1 1 1 -22 -22 7  o 82.976  3.9978  870.504    80.490   946.865    145.738  836.989    96.551   82.456  7.3617  80.353  4.9766  2.103333       8.885995 
1 1 1 -22 -22 8  o 49.325  7.1008  337.398    82.534   211.792    163.272  380.512    95.656   33.690  13.378  51.720  7.8706  -18.03002      15.52132 
1 1 1 -22 -22 9  o 32.941  6.1441  147.560    47.302   37.407     147.230  160.238    49.950   25.378  11.415  34.309  6.2296  -8.930969      13.00407 
1 1 1 -22 -22 10 o 30.901  5.8470  128.813    42.235   137.923    81.382   125.455    49.409   29.901  9.7584  29.918  6.9406  -0.1760864E-01 11.97487 
1 1 1 -22 -22 11 o 41.820  4.9767  227.531    49.508   283.996    95.885   207.005    57.811   43.430  9.3739  39.098  6.3086  4.332481       11.29904 
1 1 1 -22 -22 12 o 74.480  4.1506  702.860    74.711   645.561    133.095  729.220    90.275   67.269  8.3325  75.177  4.9771  -7.907959      9.705827 
1 1 1 -22 -22 13 o 32.560  6.1230  143.547    46.599   161.403    99.493   138.530    52.741   31.779  10.800  31.455  7.0810  0.3239174      12.91423 
1 1 1 -22 -22 14 o 65.283  4.2702  541.319    67.269   423.094    114.352  603.880    83.184   53.683  9.1043  68.367  5.0503  -14.68430      10.41119 
1 1 1 -22 -22 15 o 60.767  4.3547  469.933    63.783   479.227    108.930  465.084    78.682   58.447  7.8821  59.640  5.4991  -1.193455      9.610825 
1 1 1 -22 -22 16 o 33.629  6.4583  154.187    50.783   145.170    82.891   159.605    64.254   30.798  9.8305  33.289  8.0444  -2.490980      12.70239 
1 1 1 -22 -22 17 o 14.811  6.6656  -14.0637   50.292   9.1019     68.663   -40.8771   73.871   18.661  8.1181  16.521  7.6719  2.140163       11.16969 
1 1 1 -22 -22 18 o 20.129  7.8191  44.156     54.734   26.798     106.483  50.390     63.809   22.930  10.039  21.389  8.4042  1.541262       13.09260 
1 1 1 -22 -22 19 o 26.235  8.5227  98.487     62.103   -3.4253    109.880  146.322    75.280   21.761  9.8175  31.235  9.2659  -9.474171      13.49965 
1 1 1 -22 -22 20 o 46.439  5.2572  280.762    58.194   100.882    98.599   376.920    72.090   27.123  10.506  53.626  5.6241  -26.50221      11.91671 
1 1 1 -22 -22 21 o 48.733  5.3787  309.807    62.541   314.404    99.204   306.775    80.569   46.252  9.1637  47.202  7.2679  -0.9500961     11.69594 
1 1 1 -22 -22 22 f 18.544  7.2900  34.070     48.035   98.791     74.780   -11.3946   62.675   26.392  9.3412  16.705  7.4857  9.687281       11.97048 
1 1 1 -22 -22 23 o 58.511  5.5613  447.337    78.004   280.189    122.081  562.657    101.404  41.196  11.678  64.820  6.5366  -23.62428      13.38276 
1 1 1 -22 -22 24 o 46.526  6.5686  292.008    72.091   117.721    113.446  410.060    93.367   28.675  11.224  54.715  7.2082  -26.03977      13.33941 
1 1 1 -22 -22 25 o 35.398  11.442  205.651    112.022  154.164    189.499  233.309    138.889  31.929  13.684  36.528  12.746  -4.599598      18.70092 
1 1 1 -22 -22 26 o 22.884  10.012  26.838     105.726  -33.8845   175.938  61.160     132.272  24.906  11.656  26.115  11.314  -1.209436      16.24427 
1 1 1 -22 -22 27 o 21.741  9.9977  -24.1400   121.069  0.0000     0.0000   -24.1400   121.069  ?       ?       21.741  9.9977  0.000000       9.997743 
1 1 1 -22 -22 28 o 30.694  9.4801  142.546    77.713   155.558    168.616  139.036    87.568   31.580  13.189  30.122  10.132  1.458727       16.63183 
1 1 1 -22 -22 29 o 60.939  6.6359  500.696    96.534   296.987    199.188  563.230    110.361  38.235  14.898  64.090  7.2228  -25.85490      16.55694 
1 1 1 -22 -22 30 o 72.904  5.3662  691.434    94.259   805.061    155.667  625.656    118.440  74.767  8.7460  67.393  7.3628  7.374451       11.43255 
1 1 1 -22 -22 31 o 29.500  8.9622  129.776    69.812   56.115     124.038  163.929    84.459   25.312  10.961  32.535  9.8518  -7.223009      14.73787 
1 1 1 -22 -22 32 o 80.535  5.0026  836.732    97.274   850.333    161.832  829.039    121.715  76.563  8.8760  78.663  6.4332  -2.099892      10.96217 
1 1 1 -22 -22 33 o 44.330  7.1349  271.970    74.142   335.246    121.256  234.186    93.699   45.536  11.080  38.860  9.9072  6.676277       14.86324 
1 1 1 -22 -22 34 o 37.254  8.4688  203.561    74.818   201.073    119.104  205.182    96.159   34.311  11.813  35.797  10.432  -1.486107      15.75980 
1 1 1 -22 -22 35 o 44.533  11.948  338.515    131.781  338.515    131.781  0.0000     0.0000   44.533  11.948  ?       ?       0.000000       11.94788 
1 1 1 -22 -22 36 o 61.207  10.161  578.433    145.611  578.433    145.611  0.0000     0.0000   61.207  10.161  ?       ?       0.000000       10.16081 
1 1 1 -22 -22 37 o 76.052  12.421  984.329    221.298  984.329    221.298  0.0000     0.0000   76.052  12.421  ?       ?       0.000000       12.42121 
1 1 1 -22 -22 38 o 52.364  8.4897  401.409    104.173  304.604    175.609  453.971    129.400  38.164  14.195  53.653  10.314  -15.48886      17.54669 
1 1 1 -22 -22 39 o 19.894  7.9399  42.395     57.785   42.496     147.244  42.376     62.825   25.140  11.351  20.272  8.2125  4.868187       14.01072 
1 1 1 -22 -22 40 o 40.605  6.7717  230.008    64.367   226.313    132.361  231.153    73.664   34.643  12.410  39.797  7.9072  -5.154510      14.71484 
1 1 1 -22 -22 41 f 16.422  7.2505  1.3527     56.618   -99.8642   132.537  23.947     62.619   19.481  9.3918  18.659  7.9283  0.8222733      12.29078 
1 1 1 -22 -22 42 o 52.150  6.2721  373.822    77.773   438.184    157.034  352.905    89.523   47.272  13.190  49.219  7.7526  -1.947258      15.29976 
1 1 1 -22 -22 43 o 25.590  8.5212  100.857    61.940   30.902     143.294  116.932    68.689   23.728  10.899  27.156  8.9701  -3.427204      14.11545 
1 1 1 -22 -22 44 o 31.273  10.699  176.167    97.659   -8.2789    226.197  218.425    108.270  25.112  12.146  34.182  11.260  -9.069735      16.56305 
1 1 1 -22 -22 45 o 19.067  8.6894  0.3591     88.755   208.435    215.760  -42.0231   97.376   29.801  13.569  18.020  8.5071  11.78189       16.01487 
1 1 1 -22 -22 46 o 16.921  7.4323  10.819     58.780   97.319     146.173  -5.8663    64.199   25.448  11.416  16.445  7.4539  9.003311       13.63373 
1 1 1 -22 -22 47 o 23.960  9.0932  92.296     72.848   0.0000     0.0000   92.296     72.848   ?       ?       23.960  9.0932  0.000000       9.093169 
1 1 1 -22 -22 48 o 15.893  7.3397  -16.8510   66.237   0.0000     0.0000   -16.8510   66.237   ?       ?       15.893  7.3397  0.000000       7.339659 
1 1 1 -22 -22 49 o 11.277  5.4889  -65.8217   48.101   0.0000     0.0000   -65.8217   48.101   ?       ?       11.277  5.4889  0.000000       5.488924 
1 1 1 -22 -22 50 o 19.194  6.9238  53.075     41.274   75.027     55.838   26.635     61.282   21.846  8.0266  17.839  7.7149  4.007391       11.13310 
1 1 1 -22 -22 51 f 15.330  6.3755  20.647     39.167   10.730     43.412   64.049     90.818   14.905  6.4697  21.547  9.3550  -6.641477      11.37418 
1 1 1 -22 -22 52 o 13.514  5.8121  8.3107     34.396   3.4198     39.516   23.599     69.866   13.790  6.0744  18.132  8.0275  -4.342379      10.06674 
1 1 1 -22 -22 53 o 20.857  7.2387  66.992     44.767   39.164     49.278   198.437    107.101  17.909  7.2670  30.037  11.103  -12.12769      13.26951 
1 1 1 -22 -22 54 o 20.989  9.0150  60.141     82.554   219.617    154.217  -3.9146    97.737   28.595  12.303  18.609  8.7023  9.985790       15.06933 
1 1 1 -22 -22 55 o 13.143  6.2788  -46.5233   56.235   61.656     128.237  -72.2795   62.573   22.367  10.287  12.943  6.2910  9.423493       12.05815 
1 1 1 -22 -22 56 o 18.152  7.7764  32.570     61.148   12.639     143.518  36.990     67.590   21.211  10.105  18.858  8.1288  2.353451       12.96862 
1 1 1 -22 -22 57 o 17.059  8.0184  -19.7675   84.803   -190.3674  152.303  56.890     102.093  17.334  8.6688  21.330  9.5563  -3.996294      12.90242 
1 1 1 -22 -22 58 o 31.371  11.743  240.598    120.563  881.627    370.356  164.615    127.508  32.961  15.844  26.355  11.258  6.606230       19.43631 
1 1 1 -22 -22 59 o 18.710  8.8256  1.5648     104.413  692.099    359.600  -62.0135   109.114  29.510  14.498  17.049  8.2912  12.46148       16.70161 
1 1 1 -22 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -21 4  o 16.340  6.1759  29.191     33.516   0.0000     0.0000   29.191     33.516   ?       ?       16.340  6.1759  0.000000       6.175909 
1 1 1 -22 -21 5  o 56.369  4.2699  405.663    57.968   436.595    137.658  398.996    63.910   51.567  11.313  55.551  4.7883  -3.983387      12.28443 
1 1 1 -22 -21 6  o 58.429  4.0374  433.002    56.889   296.052    108.347  485.128    66.844   43.149  10.458  61.537  4.5081  -18.38739      11.38805 
1 1 1 -22 -21 7  o 46.232  4.3675  273.540    48.413   291.882    94.657   267.042    56.340   44.246  9.1200  45.173  5.2373  -0.9266586     10.51679 
1 1 1 -22 -21 8  o 66.070  6.1323  581.242    97.188   685.170    188.518  543.622    113.422  63.586  12.664  62.399  7.6516  1.187443       14.79583 
1 1 1 -22 -21 9  o 60.465  4.6935  469.112    68.319   462.500    179.098  470.238    73.908   49.590  14.175  60.243  5.1042  -10.65230      15.06563 
1 1 1 -22 -21 10 o 91.767  4.0685  1061.37    90.591   984.066    154.632  1101.76    111.783  84.256  7.6470  92.510  4.9985  -8.253593      9.135692 
1 1 1 -22 -21 11 o 91.878  4.0538  1063.17    90.373   1140.57    154.707  1023.07    111.346  91.703  7.0059  88.981  5.1796  2.722107       8.712678 
1 1 1 -22 -21 12 f 46.141  4.8601  274.717    53.594   307.978    110.059  264.379    61.361   44.575  10.371  44.712  5.7920  -0.1365318     11.87871 
1 1 1 -22 -21 13 o 34.447  5.4807  156.675    44.274   241.279    79.296   118.355    53.367   41.067  8.2443  28.901  7.5333  12.16611       11.16780 
1 1 1 -22 -21 14 o 61.558  4.3653  481.357    64.779   251.206    108.212  609.899    80.871   39.717  10.899  68.959  4.8644  -29.24230      11.93532 
1 1 1 -22 -21 15 o 50.990  4.8042  333.926    58.738   344.404    97.390   327.935    73.638   49.133  8.4754  49.604  6.2573  -0.4717064     10.53498 
1 1 1 -22 -21 16 o 10.677  5.1787  -63.8133   41.819   -121.7412  91.788   -48.6392   46.978   15.751  7.6473  12.311  5.8406  3.440412       9.622560 
1 1 1 -22 -21 17 o 38.197  6.7030  198.202    59.859   175.506    87.947   217.790    81.704   33.867  10.007  38.600  8.9049  -4.732777      13.39574 
1 1 1 -22 -21 18 o 17.845  7.5099  17.103     55.322   88.148     103.584  -11.2481   65.436   26.567  10.621  17.113  7.6601  9.454044       13.09537 
1 1 1 -22 -21 19 o 27.513  8.9016  108.940    67.791   102.539    115.652  112.291    83.673   27.967  11.208  27.920  9.8811  0.4763031E-01  14.94176 
1 1 1 -22 -21 20 o 61.953  4.7220  490.057    70.448   442.879    112.171  520.787    90.528   55.900  8.5410  62.938  6.0007  -7.037712      10.43826 
1 1 1 -22 -21 21 o 49.949  5.3667  324.064    64.023   259.295    102.646  365.305    81.907   41.132  10.306  52.213  6.6135  -11.08047      12.24543 
1 1 1 -22 -21 22 o 57.466  5.5453  429.808    76.362   466.809    150.734  417.034    88.568   54.002  11.831  55.775  6.6772  -1.772228      13.58499 
1 1 1 -22 -21 23 f 65.669  5.1102  554.870    80.784   580.111    129.893  538.949    103.164  64.035  8.5752  63.343  6.8196  0.6920090      10.95634 
1 1 1 -22 -21 24 o 24.691  8.8315  82.088     67.010   235.220    117.800  8.8316     81.477   37.950  11.664  20.059  8.7820  17.89105       14.60012 
1 1 1 -22 -21 25 o 27.341  10.707  99.476     103.269  229.725    167.228  19.188     131.294  36.007  13.750  24.394  10.890  11.61307       17.54017 
1 1 1 -22 -21 26 o 35.290  11.710  203.660    117.015  115.202    184.572  263.108    151.310  30.567  13.304  38.489  13.311  -7.922312      18.81947 
1 1 1 -22 -21 27 o 27.602  10.963  101.101    109.667  16.553     177.645  153.164    139.402  26.718  12.221  31.478  12.405  -4.760328      17.41381 
1 1 1 -22 -21 28 f 58.760  5.8660  453.961    82.517   352.482    141.915  505.795    101.425  45.671  12.460  61.122  6.9632  -15.45058      14.27382 
1 1 1 -22 -21 29 o 66.042  5.4680  567.372    86.834   574.208    145.187  563.565    108.348  61.951  9.9992  64.433  7.0450  -2.482655      12.23179 
1 1 1 -22 -21 30 o 41.993  7.0552  242.122    69.337   315.114    118.075  203.704    85.663   44.550  10.991  36.715  9.5319  7.835167       14.54848 
1 1 1 -22 -21 31 o 52.221  6.3290  364.701    78.556   334.076    129.893  382.362    98.639   45.010  11.763  52.064  8.0692  -7.054588      14.26454 
1 1 1 -22 -21 32 o 101.487 4.7922  1315.75    118.007  1371.00    186.887  1279.11    152.183  99.353  7.8155  97.950  6.4390  1.402031       10.12635 
1 1 1 -22 -21 33 o 99.326  4.8573  1262.82    117.064  1116.37    185.493  1359.76    150.913  88.091  8.7958  101.325 6.1676  -13.23442      10.74273 
1 1 1 -22 -21 34 o 65.844  9.8753  651.604    152.907  651.604    152.907  0.0000     0.0000   65.844  9.8753  ?       ?       0.000000       9.875314 
1 1 1 -22 -21 35 o 54.713  10.775  470.220    137.961  470.220    137.961  0.0000     0.0000   54.713  10.775  ?       ?       0.000000       10.77540 
1 1 1 -22 -21 36 o 52.561  8.2812  396.053    102.119  546.602    132.886  178.914    159.591  60.697  9.3208  32.308  13.089  28.38905       16.06851 
1 1 1 -22 -21 37 o 70.860  7.5421  700.335    127.683  742.739    207.518  674.501    161.972  64.257  13.727  65.833  10.492  -1.575981      17.27737 
1 1 1 -22 -21 38 o 60.423  8.6707  532.975    123.479  0.0000     0.0000   532.975    123.479  ?       ?       60.423  8.6707  0.000000       8.670664 
1 1 1 -22 -21 39 o 15.235  7.0061  -26.5692   59.460   176.595    131.450  -78.8322   66.670   31.821  12.182  13.878  6.6832  17.94377       13.89448 
1 1 1 -22 -21 40 o 12.747  5.8072  -17.0905   39.597   16.956     55.782   -51.6711   56.218   17.576  7.4759  13.489  6.3966  4.087239       9.838991 
1 1 1 -22 -21 41 o 11.027  5.2651  -44.6838   39.424   15.220     49.616   -147.2768  64.932   16.685  7.0717  11.522  5.7467  5.162395       9.112272 
1 1 1 -22 -21 42 o 32.059  6.7327  145.309    50.707   187.359    66.945   88.714     77.663   35.576  7.9549  24.715  9.3867  10.86048       12.30406 
1 1 1 -22 -21 43 o 17.850  7.0868  33.423     45.812   -47.2358   60.469   142.097    70.189   14.162  6.6914  29.979  8.9593  -15.81706      11.18229 
1 1 1 -22 -21 44 o 25.694  10.405  101.462    100.810  282.819    227.641  57.219     112.437  33.017  14.560  23.504  10.303  9.513226       17.83627 
1 1 1 -22 -21 45 o 24.624  9.7939  92.235     87.642   305.296    225.990  54.518     95.083   33.203  14.579  22.400  9.6487  10.80241       17.48250 
1 1 1 -22 -21 46 o 16.540  6.6714  26.937     41.264   -0.6647    60.871   50.405     56.129   16.466  7.3780  19.975  7.8716  -3.509367      10.78872 
1 1 1 -22 -21 47 o 19.270  8.0017  39.837     61.559   0.0000     0.0000   39.837     61.559   ?       ?       19.270  8.0017  0.000000       8.001689 
1 1 1 -22 -21 48 o 18.382  7.7968  30.989     60.383   0.0000     0.0000   30.989     60.383   ?       ?       18.382  7.7968  0.000000       7.796755 
1 1 1 -22 -21 49 o 12.971  5.8274  -6.2387    38.244   3.8853     54.560   -16.0178   53.623   15.818  7.0435  14.477  6.6561  1.340055       9.690933 
1 1 1 -22 -21 50 o 13.941  6.1544  1.9952     40.782   9.7641     45.394   -30.5174   92.863   15.144  6.5945  17.532  8.2863  -2.388251      10.59009 
1 1 1 -22 -21 51 o 16.345  6.6457  28.226     41.310   25.602     45.331   41.078     100.325  16.449  6.8515  20.826  9.3899  -4.376919      11.62382 
1 1 1 -22 -21 52 o 15.650  6.4641  23.007     39.867   9.1660     47.710   55.033     72.573   15.286  6.7054  20.416  8.5973  -5.130339      10.90298 
1 1 1 -22 -21 53 o 11.955  5.5660  -22.0305   39.279   -7.1185    42.722   -103.5268  99.874   13.462  6.0933  15.730  7.7106  -2.267982      9.827547 
1 1 1 -22 -21 54 o 16.409  6.6898  28.612     42.003   13.654     46.582   93.665     97.144   15.508  6.7164  23.424  9.9098  -7.916319      11.97138 
1 1 1 -22 -21 55 o 15.442  6.3912  21.615     39.088   21.310     46.144   22.390     73.549   16.120  6.8254  18.405  8.1879  -2.284519      10.65965 
1 1 1 -22 -21 56 o 23.342  7.2844  85.484     45.749   63.279     56.756   126.678    77.304   20.617  7.9751  26.281  9.4762  -5.663944      12.38550 
1 1 1 -22 -21 57 o 18.929  8.8313  0.6160     99.726   -86.0813   343.645  8.5887     104.210  23.481  11.894  19.477  9.0673  4.004293       14.95609 
1 1 1 -22 -21 58 o 24.540  10.464  119.752    109.765  201.805    357.928  111.234    115.321  25.512  12.831  24.058  10.492  1.453751       16.57476 
1 1 1 -22 -21 59 o 20.439  9.3412  44.488     103.495  -368.7699  325.840  90.857     109.147  ?       ?       22.660  10.033  0.000000       10.03253 
1 1 1 -22 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -20 4  f 47.109  6.7357  303.441    74.801   0.0000     0.0000   303.441    74.801   ?       ?       47.109  6.7357  0.000000       6.735716 
1 1 1 -22 -20 5  o 13.081  5.1524  14.323     24.039   87.227     59.564   0.1385     26.274   24.817  8.3567  11.732  5.0626  13.08563       9.770547 
1 1 1 -22 -20 6  o 51.698  5.3150  348.804    65.722   423.420    104.979  300.708    84.283   54.586  8.1778  46.187  7.7983  8.398743       11.29999 
1 1 1 -22 -20 7  o 15.704  5.9819  25.259     31.599   128.726    74.119   2.2760     34.933   29.326  9.2889  13.604  5.8542  15.72188       10.97978 
1 1 1 -22 -20 8  o 13.117  5.9908  -20.5958   42.474   -138.1614  117.392  -2.8873    45.560   17.835  8.6567  14.895  6.5428  2.940451       10.85117 
1 1 1 -22 -20 9  o 78.576  4.4754  785.141    84.974   779.220    208.721  786.318    93.033   67.756  13.170  78.260  4.9244  -10.50394      14.06061 
1 1 1 -22 -20 10 o 73.109  4.0512  673.974    71.583   786.266    127.204  621.933    86.596   76.289  6.9481  69.394  5.1803  6.894470       8.666646 
1 1 1 -22 -20 11 o 45.604  4.7794  267.363    52.100   259.713    100.055  270.209    61.026   41.222  10.086  45.345  5.6705  -4.122917      11.57067 
1 1 1 -22 -20 12 o 34.390  5.5676  156.133    44.871   185.345    81.905   143.607    53.635   35.195  9.4095  32.207  7.0582  2.987743       11.76253 
1 1 1 -22 -20 13 o 31.717  7.3870  140.635    55.791   85.274     80.015   193.012    77.830   25.443  9.5585  36.319  8.9010  -10.87617      13.06114 
1 1 1 -22 -20 14 f 14.379  6.1941  2.2645     39.193   13.041     64.707   -3.9804    49.257   18.627  7.9904  15.432  6.7903  3.195436       10.48591 
1 1 1 -22 -20 15 o 26.695  6.4845  97.310     41.586   111.661    75.054   90.953     49.955   27.867  9.3805  25.550  7.5401  2.316311       12.03524 
1 1 1 -22 -20 16 o 33.398  6.0228  148.815    47.012   88.726     81.520   178.758    57.546   25.893  9.6635  36.269  6.7886  -10.37550      11.80967 
1 1 1 -22 -20 17 o 49.407  4.7204  311.880    55.900   292.567    95.131   322.066    69.086   45.031  9.0210  49.561  5.8582  -4.530102      10.75623 
1 1 1 -22 -20 18 o 44.913  8.0292  281.534    84.288   309.852    133.768  262.888    108.547  43.503  12.186  41.259  10.739  2.243931       16.24278 
1 1 1 -22 -20 19 o 40.917  8.4882  237.995    81.508   175.994    129.059  279.134    105.128  33.370  12.212  43.030  10.221  -9.660099      15.92431 
1 1 1 -22 -20 20 o 21.385  7.5358  57.929     48.616   171.057    74.121   -27.4884   64.406   34.350  8.8410  16.136  7.3724  18.21376       11.51160 
1 1 1 -22 -20 21 o 44.151  5.7570  255.325    60.207   268.935    94.531   246.037    78.095   42.937  9.3394  41.998  7.9548  0.9393539      12.26796 
1 1 1 -22 -20 22 o 28.783  7.8078  116.586    55.911   31.862     94.277   162.552    69.441   22.653  9.6791  33.661  8.5003  -11.00746      12.88175 
1 1 1 -22 -20 23 o 39.662  7.8902  219.666    73.260   210.429    123.448  224.688    91.021   36.028  12.031  38.882  9.6842  -2.854240      15.44431 
1 1 1 -22 -20 24 o 50.516  6.5574  340.248    78.480   339.434    133.052  340.683    97.187   45.990  11.850  49.170  8.4505  -3.180107      14.55424 
1 1 1 -22 -20 25 o 34.527  11.696  190.213    116.689  -27.6807   183.930  336.986    150.958  26.001  12.085  44.371  13.111  -18.36917      17.83108 
1 1 1 -22 -20 26 o 32.221  11.496  160.966    113.475  102.322    191.290  192.808    140.954  30.586  13.422  34.325  12.727  -3.739166      18.49669 
1 1 1 -22 -20 27 o 23.003  10.037  24.382     105.618  68.762     170.383  -3.3139    134.598  28.516  12.585  23.804  10.791  4.712172       16.57751 
1 1 1 -22 -20 28 o 22.676  8.4330  63.738     61.973   59.815     102.384  66.006     77.856   24.759  10.303  23.769  9.2998  0.9901943      13.87973 
1 1 1 -22 -20 29 o 27.479  8.7067  108.407    65.115   38.449     109.162  147.049    81.129   23.918  10.320  31.311  9.6888  -7.392736      14.15563 
1 1 1 -22 -20 30 o 45.813  6.6012  282.436    71.261   279.317    118.054  284.225    89.382   41.675  11.362  44.529  8.5839  -2.853443      14.24022 
1 1 1 -22 -20 31 o 46.350  7.2330  294.788    78.689   200.356    127.838  352.393    99.846   34.665  12.219  49.630  8.6031  -14.96469      14.94416 
1 1 1 -22 -20 32 o 88.067  5.0247  996.291    106.926  842.600    167.165  1102.71    139.105  76.203  9.2291  91.214  6.3242  -15.01152      11.18803 
1 1 1 -22 -20 33 o 78.131  8.6828  871.142    161.823  871.142    161.823  0.0000     0.0000   78.131  8.6828  ?       ?       0.000000       8.682809 
1 1 1 -22 -20 34 o 31.290  11.611  155.250    117.369  155.250    117.369  0.0000     0.0000   31.290  11.611  ?       ?       0.000000       11.61150 
1 1 1 -22 -20 35 o 28.067  8.1807  113.944    59.129   130.883    64.857   30.556     143.902  29.876  8.5265  25.304  11.341  4.572281       14.18838 
1 1 1 -22 -20 36 o 61.178  4.6977  480.020    69.201   479.333    91.103   480.958    106.397  59.815  6.3754  58.759  7.6436  1.056042       9.953397 
1 1 1 -22 -20 37 o 10.080  4.9077  -62.3646   38.512   -5.9893    52.336   -128.9461  56.877   15.611  6.9278  10.938  5.4430  4.672852       8.810213 
1 1 1 -22 -20 38 o 67.132  5.2057  586.165    84.133   606.719    110.159  557.393    130.333  66.655  6.9117  61.645  8.9771  5.009598       11.32965 
1 1 1 -22 -20 39 o 38.698  6.4841  204.785    58.730   204.824    76.725   204.731    91.270   37.112  8.6758  35.931  10.066  1.181183       13.28918 
1 1 1 -22 -20 40 o 21.857  7.1846  65.843     44.085   117.705    62.485   14.443     62.207   28.103  8.4657  18.136  7.8081  9.967268       11.51675 
1 1 1 -22 -20 41 o 11.593  5.4668  -36.5772   40.002   -60.4520   53.385   -6.0108    60.405   12.671  6.0707  16.514  7.3781  -3.842770      9.554559 
1 1 1 -22 -20 42 o 15.002  6.4187  7.8344     41.561   -52.0733   57.165   75.007     60.532   13.571  6.4398  23.143  8.3793  -9.572414      10.56799 
1 1 1 -22 -20 43 o 42.358  5.2165  238.173    52.481   254.494    76.993   224.009    71.725   41.649  7.9080  39.073  7.8380  2.575729       11.13427 
1 1 1 -22 -20 44 o 28.413  9.9150  133.129    84.044   305.997    258.089  112.623    88.889   33.586  15.109  26.580  10.055  7.006271       18.14920 
1 1 1 -22 -20 45 o 16.106  7.4876  -30.3763   70.680   0.0000     0.0000   -30.3763   70.680   ?       ?       16.106  7.4876  0.000000       7.487640 
1 1 1 -22 -20 46 o 24.872  8.6787  96.709     64.391   0.0000     0.0000   96.709     64.391   ?       ?       24.872  8.6787  0.000000       8.678672 
1 1 1 -22 -20 47 o 16.462  7.3006  4.5395     58.031   0.0000     0.0000   4.5395     58.031   ?       ?       16.462  7.3006  0.000000       7.300583 
1 1 1 -22 -20 48 o 18.157  6.9301  41.707     42.463   66.682     59.366   15.545     60.761   21.493  8.1963  17.375  7.5959  4.118231       11.17485 
1 1 1 -22 -20 49 o 12.336  5.5315  -6.4106    34.281   63.493     44.428   -109.2751  53.894   20.771  7.2111  10.743  5.3381  10.02773       8.971884 
1 1 1 -22 -20 50 o 13.161  5.9610  -9.1390    40.970   0.5921     44.651   -60.9641   103.045  14.386  6.3908  17.369  8.3508  -2.982767      10.51565 
1 1 1 -22 -20 51 o 15.646  6.4640  22.279     39.882   48.155     47.491   -39.6213   73.454   18.889  7.2985  15.486  7.3342  3.403537       10.34690 
1 1 1 -22 -20 52 o 19.767  7.3066  56.808     46.383   57.957     56.920   54.536     80.025   20.173  7.9340  20.759  8.8948  -0.5863800     11.91914 
1 1 1 -22 -20 53 o 27.818  7.7888  124.722    54.659   98.006     61.764   221.208    117.376  24.170  8.4961  31.318  11.614  -7.148451      14.38969 
1 1 1 -22 -20 54 o 12.918  5.8759  -10.3987   40.343   6.4538     43.919   -101.4249  102.072  14.665  6.4333  16.026  7.8425  -1.361186      10.14358 
1 1 1 -22 -20 55 o 13.435  5.9619  -0.4893    38.757   -3.6241    46.213   6.9429     71.156   14.224  6.3967  17.429  7.8784  -3.205116      10.14829 
1 1 1 -22 -20 56 o 17.310  6.5979  38.634     38.458   59.683     45.804   -11.6693   70.807   20.102  7.2872  16.433  7.5889  3.668564       10.52115 
1 1 1 -22 -20 57 o 37.691  12.332  326.879    129.941  316.137    296.132  329.440    144.607  28.138  13.678  35.886  12.958  -7.748034      18.84135 
1 1 1 -22 -20 58 o 21.786  9.9144  58.290     115.023  67.016     243.566  55.785     130.490  23.971  11.807  22.077  10.233  1.893270       15.62416 
1 1 1 -22 -20 59 o 20.376  9.4705  32.111     112.962  226.298    243.541  -21.1186   127.508  26.008  12.586  19.281  9.2750  6.726639       15.63425 
1 1 1 -22 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -19 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -19 4  o 26.518  6.9295  98.253     45.081   0.0000     0.0000   98.253     45.081   ?       ?       26.518  6.9295  0.000000       6.929502 
1 1 1 -22 -19 5  o 13.620  5.2165  17.728     24.112   -1.7214    57.685   21.845     26.542   16.667  7.3405  14.586  5.5000  2.080738       9.172421 
1 1 1 -22 -19 6  o 12.871  5.5551  0.6199     31.643   -98.5121   65.010   31.396     36.223   13.084  6.3713  17.044  6.4256  -3.960380      9.048873 
1 1 1 -22 -19 7  o 16.469  6.6513  21.376     41.073   112.254    67.677   -31.6169   51.679   27.789  8.8840  13.980  6.4656  13.80890       10.98768 
1 1 1 -22 -19 8  o 42.314  7.2219  246.300    71.486   591.108    152.326  148.911    80.954   62.510  10.409  31.425  9.6708  31.08471       14.20807 
1 1 1 -22 -19 9  o 61.570  4.5389  482.438    67.330   383.344    178.540  498.867    72.698   45.243  14.426  62.419  4.8378  -17.17579      15.21554 
1 1 1 -22 -19 10 o 35.854  5.2482  167.790    44.306   240.800    90.484   144.764    50.814   40.328  9.4176  32.588  6.6515  7.740906       11.52968 
1 1 1 -22 -19 11 o 86.823  3.9982  944.745    84.229   651.620    135.711  1128.40    107.423  68.226  8.3737  94.319  4.6939  -26.09389      9.599567 
1 1 1 -22 -19 12 o 68.059  5.1811  595.361    84.917   610.281    116.723  578.586    123.769  67.140  7.2816  64.623  8.0691  2.517036       10.86887 
1 1 1 -22 -19 13 f 17.550  7.3113  17.945     51.632   -104.4482  71.257   153.238    74.919   13.833  6.7212  32.347  9.1407  -18.51386      11.34580 
1 1 1 -22 -19 14 o 51.397  4.5051  335.448    55.616   250.581    97.749   376.072    67.630   40.984  9.9333  54.039  5.2229  -13.05562      11.22276 
1 1 1 -22 -19 15 o 82.416  4.0475  850.124    80.939   751.089    134.227  906.709    101.460  74.452  7.5339  84.327  4.9807  -9.875626      9.031466 
1 1 1 -22 -19 16 o 106.300 4.1978  1416.94    108.273  1157.04    170.949  1591.05    139.915  92.365  7.6979  111.716 5.1616  -19.35088      9.268188 
1 1 1 -22 -19 17 o 43.665  5.3355  246.683    55.353   262.577    90.359   237.135    70.031   42.817  8.9840  41.808  7.1610  1.008595       11.48880 
1 1 1 -22 -19 18 o 20.561  8.4917  31.596     68.793   19.543     105.470  40.521     90.756   22.973  10.026  23.038  9.6531  -0.6484032E-01 13.91793 
1 1 1 -22 -19 19 o 35.261  8.9592  179.300    76.809   275.683    117.897  108.223    101.243  42.104  11.303  28.359  10.730  13.74546       15.58499 
1 1 1 -22 -19 20 o 43.590  5.9128  248.950    60.924   196.066    104.735  275.996    74.900   35.706  11.002  45.269  7.0484  -9.562145      13.06598 
1 1 1 -22 -19 21 o 42.745  6.0900  240.550    61.378   223.535    103.773  249.706    76.120   38.259  10.739  42.664  7.6334  -4.405418      13.17566 
1 1 1 -22 -19 22 o 35.467  7.9238  175.615    66.471   131.347    167.047  183.943    72.454   31.652  13.165  36.025  8.4371  -4.372980      15.63694 
1 1 1 -22 -19 23 o 25.437  8.4218  88.453     60.535   37.991     122.895  104.619    69.559   25.139  10.898  27.326  9.0267  -2.187370      14.15125 
1 1 1 -22 -19 24 f 40.648  7.0388  223.636    66.908   196.814    119.263  235.956    80.826   35.309  11.825  40.910  8.4231  -5.601551      14.51828 
1 1 1 -22 -19 25 o 108.070 7.0906  1557.23    184.900  1332.07    311.659  1679.53    229.690  87.250  15.278  109.822 8.6906  -22.57247      17.57693 
1 1 1 -22 -19 26 o 86.482  7.8033  1019.08    161.982  713.700    277.450  1177.00    199.515  58.082  17.908  91.180  9.1412  -33.09714      20.10630 
1 1 1 -22 -19 27 o 38.700  11.483  237.822    115.609  84.554     203.027  311.365    140.637  30.547  13.596  43.304  12.615  -12.75627      18.54696 
1 1 1 -22 -19 28 o 26.114  8.8787  94.568     67.246   25.121     111.413  134.366    84.341   23.556  10.292  30.183  9.9382  -6.626923      14.30731 
1 1 1 -22 -19 29 o 72.361  5.2836  674.035    92.127   626.949    148.002  703.820    117.714  65.757  9.5557  72.659  6.7541  -6.902092      11.70166 
1 1 1 -22 -19 30 o 93.966  4.8424  1125.47    110.032  982.980    175.309  1218.09    141.338  83.363  8.7999  96.459  6.0698  -13.09620      10.69021 
1 1 1 -22 -19 31 o 34.844  7.2424  167.980    59.233   199.877    71.341   97.191     106.278  37.572  8.0666  27.356  10.815  10.21582       13.49210 
1 1 1 -22 -19 32 o 71.256  6.1953  670.138    106.048  670.138    106.048  0.0000     0.0000   71.256  6.1953  ?       ?       0.000000       6.195258 
1 1 1 -22 -19 33 o 49.731  7.2283  338.409    84.668   338.409    84.668   0.0000     0.0000   49.731  7.2283  ?       ?       0.000000       7.228279 
1 1 1 -22 -19 34 o 24.421  8.2986  82.219     58.746   85.432     65.136   68.217     135.992  24.910  8.7267  26.755  11.532  -1.844574      14.46155 
1 1 1 -22 -19 35 o 19.076  7.2268  40.747     45.961   37.757     58.754   45.462     73.781   19.898  7.9835  21.748  8.8664  -1.850346      11.93099 
1 1 1 -22 -19 36 o 15.145  6.2865  12.846     37.974   84.632     56.248   -47.2775   51.477   24.604  8.1168  13.103  6.1857  11.50109       10.20514 
1 1 1 -22 -19 37 o 18.428  7.1894  34.796     46.427   -28.6020   64.124   104.646    67.308   15.885  7.2942  26.851  8.8800  -10.96618      11.49169 
1 1 1 -22 -19 38 o 20.452  7.5783  51.150     49.958   150.220    66.028   -81.5044   76.404   32.002  8.3978  15.138  7.2552  16.86402       11.09781 
1 1 1 -22 -19 39 o 48.833  5.9869  318.121    69.452   450.675    90.432   127.514    108.442  57.702  6.5765  28.920  11.066  28.78261       12.87258 
1 1 1 -22 -19 40 o 43.970  4.8549  251.050    50.933   233.203    77.355   264.708    67.673   40.048  8.2354  44.061  6.5273  -4.012550      10.50850 
1 1 1 -22 -19 41 o 56.200  4.6458  407.349    62.784   283.117    92.295   514.349    85.655   43.347  9.0666  62.258  5.7346  -18.91109      10.72799 
1 1 1 -22 -19 42 o 61.235  4.4833  482.390    66.150   525.449    95.881   443.278    91.381   62.095  6.4582  56.692  6.7774  5.402660       9.361709 
1 1 1 -22 -19 43 o 17.298  6.8703  29.682     43.070   23.428     60.330   36.183     61.509   18.450  7.8077  19.561  8.0488  -1.110703      11.21358 
1 1 1 -22 -19 44 o 36.428  10.358  223.383    95.894   0.0000     0.0000   223.383    95.894   ?       ?       36.428  10.358  0.000000       10.35805 
1 1 1 -22 -19 45 o 35.619  10.012  212.575    90.133   0.0000     0.0000   212.575    90.133   ?       ?       35.619  10.012  0.000000       10.01226 
1 1 1 -22 -19 46 f 16.363  7.3453  -3.6637    60.623   0.0000     0.0000   -3.6637    60.623   ?       ?       16.363  7.3453  0.000000       7.345256 
1 1 1 -22 -19 47 o 12.664  5.8231  -19.0697   41.062   -24.0125   56.297   -13.4511   60.023   14.593  6.7488  15.638  7.1341  -1.045013      9.820510 
1 1 1 -22 -19 48 o 12.583  5.6286  -6.2263    35.266   0.5663     44.254   -18.0462   58.378   14.486  6.4022  15.108  6.9455  -0.6217270     9.446052 
1 1 1 -22 -19 49 o 12.883  5.7088  -2.3891    35.416   24.896     45.415   -44.7302   56.574   16.612  6.8834  13.477  6.3984  3.135356       9.397886 
1 1 1 -22 -19 50 o 29.620  6.5582  128.939    45.891   142.842    56.686   102.498    78.174   30.205  7.7086  24.598  9.3994  5.607819       12.15612 
1 1 1 -22 -19 51 o 18.151  6.7108  44.609     39.131   96.295     45.400   -104.7373  77.173   25.025  7.1310  13.727  6.7384  11.29829       9.811031 
1 1 1 -22 -19 52 o 16.903  6.9333  29.756     45.462   -20.6955   55.501   132.639    79.256   14.384  6.6694  26.967  9.6089  -12.58251      11.69670 
1 1 1 -22 -19 53 o 18.772  7.1989  47.805     45.958   80.199     51.558   -77.4797   101.394  22.545  7.7715  16.659  8.0765  5.886135       11.20832 
1 1 1 -22 -19 54 o 15.733  6.6741  18.392     44.254   13.616     49.317   38.133     100.267  15.871  6.8922  20.792  9.3797  -4.921597      11.63962 
1 1 1 -22 -19 55 o 14.096  6.0417  9.7845     36.942   2.0672     41.327   40.472     82.410   14.027  6.1936  20.119  8.8195  -6.092333      10.77704 
1 1 1 -22 -19 56 f 31.017  6.8707  144.540    50.346   96.605     62.167   235.895    85.822   24.132  8.5196  36.596  9.5601  -12.46419      12.80542 
1 1 1 -22 -19 57 o 23.588  10.284  91.610     110.689  97.016     265.199  90.470     121.806  25.154  12.376  23.670  10.533  1.484383       16.25195 
1 1 1 -22 -19 58 o 20.860  9.5372  38.987     108.010  106.196    261.593  25.174     118.590  24.847  12.238  20.733  9.6589  4.113773       15.59065 
1 1 1 -22 -19 59 o 24.769  10.567  127.091    112.067  -166.0836  274.360  185.801    122.776  21.351  10.795  27.733  11.387  -6.382296      15.69084 
1 1 1 -22 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -18 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -18 4  o 17.156  6.2076  34.356     33.215   0.0000     0.0000   34.356     33.215   ?       ?       17.156  6.2076  0.000000       6.207622 
1 1 1 -22 -18 5  o 24.423  5.4841  79.770     31.703   57.448     67.241   86.151     35.949   22.328  8.6684  25.228  5.9664  -2.900463      10.52322 
1 1 1 -22 -18 6  o 23.981  5.8979  77.692     34.081   103.917    73.291   70.457     38.496   26.992  9.2680  22.735  6.5935  4.257446       11.37411 
1 1 1 -22 -18 7  o 43.533  5.7266  249.008    59.022   229.029    89.430   264.425    78.562   39.241  9.4953  43.614  7.7056  -4.372555      12.22853 
1 1 1 -22 -18 8  o 68.703  6.0155  618.921    99.270   696.419    188.456  589.160    116.786  66.003  12.217  65.748  7.4521  0.2550049      14.31071 
1 1 1 -22 -18 9  o 44.947  4.4562  257.074    47.958   264.197    95.380   254.665    55.482   42.357  9.5130  44.338  5.2597  -1.980881      10.87027 
1 1 1 -22 -18 10 o 37.426  4.5743  179.212    40.675   132.067    67.800   205.721    50.841   30.262  8.7428  39.745  5.4126  -9.483763      10.28259 
1 1 1 -22 -18 11 o 47.886  4.5155  291.390    51.847   222.125    81.936   337.645    66.957   39.354  8.8013  51.045  5.4925  -11.69133      10.37449 
1 1 1 -22 -18 12 o 70.732  4.9819  638.163    84.956   702.627    115.621  562.518    125.248  72.922  6.6062  63.744  8.2944  9.178867       10.60369 
1 1 1 -22 -18 13 o 127.586 4.2524  2041.23    131.643  2004.19    207.768  2066.08    170.157  122.916 6.9953  126.949 5.5240  -4.033356      8.913438 
1 1 1 -22 -18 14 o 75.639  4.1484  717.844    75.845   760.356    125.970  693.668    94.994   75.677  6.9374  73.546  5.3601  2.131081       8.766878 
1 1 1 -22 -18 15 o 53.063  4.8126  358.326    61.289   262.142    100.711  414.901    77.239   42.179  9.9937  56.615  5.7002  -14.43564      11.50508 
1 1 1 -22 -18 16 o 44.177  5.3726  251.908    56.404   335.436    94.263   205.320    70.398   49.318  8.1627  38.589  7.7870  10.72883       11.28125 
1 1 1 -22 -18 17 o 91.123  4.1764  1038.21    92.342   930.613    146.668  1108.86    118.856  83.523  7.3107  93.226  5.2760  -9.703140      9.015717 
1 1 1 -22 -18 18 o 42.191  8.9816  252.749    89.127   372.720    157.728  196.474    108.026  47.638  13.193  35.877  11.193  11.76072       17.30167 
1 1 1 -22 -18 19 o 93.894  6.3013  1147.17    142.727  1123.30    228.737  1162.39    182.647  87.156  11.066  92.364  8.2362  -5.207466      13.79421 
1 1 1 -22 -18 20 o 75.842  4.5130  724.695    82.676   678.086    136.426  751.747    103.935  70.541  8.1186  76.465  5.6417  -5.923538      9.886414 
1 1 1 -22 -18 21 o 91.437  4.3197  1047.14    95.840   1019.91    157.305  1063.21    120.862  87.304  7.4986  91.123  5.4920  -3.819489      9.294684 
1 1 1 -22 -18 22 o 40.413  6.5651  217.126    62.167   195.621    133.028  223.134    70.318   35.382  12.466  40.509  7.4277  -5.127720      14.51088 
1 1 1 -22 -18 23 o 93.425  4.3912  1094.73    99.542   1215.69    165.364  1025.99    124.657  95.677  7.1754  89.220  5.7895  6.456245       9.219814 
1 1 1 -22 -18 24 o 34.231  7.6375  161.774    61.824   259.450    113.531  120.598    73.712   41.157  11.110  29.134  9.2672  12.02339       14.46744 
1 1 1 -22 -18 25 o 50.602  10.103  374.782    119.699  0.0000     0.0000   374.782    119.699  ?       ?       50.602  10.103  0.000000       10.10288 
1 1 1 -22 -18 26 o 68.594  7.5415  635.031    123.447  683.324    251.875  619.763    141.623  59.735  16.718  66.375  9.0278  -6.639400      18.99993 
1 1 1 -22 -18 27 o 132.147 6.8928  2309.94    220.247  2311.96    374.756  2308.87    272.221  120.238 13.055  128.909 8.7550  -8.670776      15.71884 
1 1 1 -22 -18 28 o 72.352  4.2448  658.736    74.193   629.095    105.448  687.796    104.410  69.193  6.3516  72.686  5.9730  -3.492683      8.718921 
1 1 1 -22 -18 29 o 57.058  4.4800  412.475    61.525   483.404    85.222   335.268    88.914   60.928  5.8360  49.461  7.6560  11.46678       9.626707 
1 1 1 -22 -18 30 o 39.490  6.6659  209.840    61.598   209.018    74.553   211.609    109.344  38.467  8.2359  36.670  11.232  1.797703       13.92782 
1 1 1 -22 -18 31 o 41.498  7.6587  238.495    74.276   238.495    74.276   0.0000     0.0000   41.498  7.6587  ?       ?       0.000000       7.658733 
1 1 1 -22 -18 32 o 63.658  6.3107  535.662    96.190   535.662    96.190   0.0000     0.0000   63.658  6.3107  ?       ?       0.000000       6.310653 
1 1 1 -22 -18 33 o 50.756  4.9315  331.034    59.967   298.187    82.547   367.740    87.261   46.464  7.5834  52.056  7.0932  -5.591076      10.38375 
1 1 1 -22 -18 34 o 20.949  7.4965  55.113     48.289   12.153     64.778   108.841    72.444   18.550  7.9769  27.497  9.2161  -8.947803      12.18887 
1 1 1 -22 -18 35 o 31.711  6.1348  135.433    45.496   182.391    71.412   103.353    59.025   35.557  8.4092  26.914  8.2536  8.642349       11.78294 
1 1 1 -22 -18 36 o 9.5202  4.5725  -41.3787   30.709   -46.2366   49.635   -38.3658   39.089   12.874  6.0764  11.420  5.3909  1.453697       8.123106 
1 1 1 -22 -18 37 o 32.081  7.3607  144.497    56.081   185.579    76.739   97.407     82.159   35.429  8.9298  26.412  9.7315  9.017082       13.20766 
1 1 1 -22 -18 38 o 26.746  7.7961  102.063    53.699   127.753    74.154   73.738     77.865   29.244  9.2941  24.181  9.3447  5.062572       13.17969 
1 1 1 -22 -18 39 o 22.140  7.7273  65.376     51.049   108.029    66.477   4.0763     79.694   27.168  8.8173  19.420  8.5866  7.748146       12.30753 
1 1 1 -22 -18 40 o 32.706  6.3088  146.035    48.251   199.127    74.920   108.405    63.074   36.764  8.5587  27.175  8.5648  9.589102       12.10815 
1 1 1 -22 -18 41 o 38.517  8.3629  217.492    75.917   0.0000     0.0000   217.492    75.917   ?       ?       38.517  8.3629  0.000000       8.362890 
1 1 1 -22 -18 42 f 36.115  6.2411  178.176    52.713   189.130    81.193   170.194    69.306   34.886  9.3861  33.748  8.4754  1.137512       12.64642 
1 1 1 -22 -18 43 o 39.149  6.1596  209.144    56.578   191.486    85.481   222.910    75.477   34.586  9.7604  38.804  8.2693  -4.217918      12.79247 
1 1 1 -22 -18 44 o 37.651  9.9158  230.210    91.841   0.0000     0.0000   230.210    91.841   ?       ?       37.651  9.9158  0.000000       9.915777 
1 1 1 -22 -18 45 o 20.456  8.7421  34.795     76.938   0.0000     0.0000   34.795     76.938   ?       ?       20.456  8.7421  0.000000       8.742073 
1 1 1 -22 -18 46 o 39.624  6.1014  217.161    56.779   297.802    86.129   155.180    75.510   44.372  8.3050  30.824  9.3111  13.54817       12.47676 
1 1 1 -22 -18 47 o 12.855  5.7380  -6.0818    36.441   -34.1321   46.534   38.393     58.595   12.674  5.9516  19.147  7.8645  -6.472528      9.862660 
1 1 1 -22 -18 48 o 7.4347  3.7307  -80.2785   29.355   -72.6660   35.763   -95.9983   51.392   8.9844  4.4437  10.842  5.3558  -1.857213      6.959239 
1 1 1 -22 -18 49 o 10.622  5.0274  -31.7846   34.396   -14.2683   44.534   -57.6813   54.150   13.446  6.1385  12.604  6.0586  0.8418436      8.624785 
1 1 1 -22 -18 50 o 15.483  6.5029  17.794     41.344   -15.9695   48.712   104.773    78.184   13.881  6.3679  24.892  9.4267  -11.01114      11.37603 
1 1 1 -22 -18 51 o 21.867  7.4275  72.845     47.060   57.111     56.567   108.212    84.809   20.263  7.9273  24.932  9.7196  -4.669186      12.54242 
1 1 1 -22 -18 52 o 17.982  7.0225  40.775     44.330   50.183     53.427   19.983     79.424   19.419  7.6710  18.852  8.4387  0.5667877      11.40415 
1 1 1 -22 -18 53 f 20.349  7.4693  60.805     48.337   56.168     54.261   78.627     106.385  20.013  7.7821  23.057  10.066  -3.043875      12.72359 
1 1 1 -22 -18 54 f 32.677  7.3388  163.781    56.765   150.034    64.873   208.690    117.256  30.023  8.5135  30.861  11.575  -0.8382187     14.36910 
1 1 1 -22 -18 55 o 45.735  5.7101  292.016    61.985   209.179    78.320   430.884    101.406  35.035  9.1232  52.227  8.2782  -17.19224      12.31912 
1 1 1 -22 -18 56 o 8.7794  4.3348  -65.1255   33.513   -78.3786   38.037   -19.1475   70.848   9.1362  4.5302  16.172  7.5110  -7.035287      8.771404 
1 1 1 -22 -18 57 o 22.720  10.135  70.345     113.495  357.745    238.255  -14.0134   129.082  31.014  14.174  20.209  9.6150  10.80593       17.12751 
1 1 1 -22 -18 58 o 22.291  10.076  64.723     116.390  293.841    264.806  9.8628     129.577  28.176  13.505  20.735  9.7963  7.441671       16.68377 
1 1 1 -22 -18 59 o 23.308  10.374  96.215     118.195  59.622     267.651  105.080    131.736  23.789  11.832  23.758  10.731  0.3067970E-01  15.97394 
1 1 1 -22 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -17 4  o 27.285  6.3019  101.252    40.879   153.777    79.622   82.450     47.637   32.059  9.5336  24.407  7.4007  7.652184       12.06897 
1 1 1 -22 -17 5  o 35.567  4.5224  162.176    38.145   118.133    76.563   176.718    43.995   28.509  9.4729  36.918  5.0432  -8.409616      10.73168 
1 1 1 -22 -17 6  o 19.976  5.9906  52.924     31.340   -45.7981   59.390   91.024     36.895   14.468  6.7714  26.000  5.9737  -11.53276      9.029769 
1 1 1 -22 -17 7  o 75.503  4.9313  727.616    89.846   793.893    127.736  662.723    126.397  77.107  6.9004  69.755  7.5904  7.352280       10.25812 
1 1 1 -22 -17 8  o 70.110  6.0186  641.826    101.393  627.085    195.203  647.273    118.655  61.363  13.479  69.429  7.1455  -8.065727      15.25583 
1 1 1 -22 -17 9  o 46.978  4.1294  278.284    46.592   297.648    79.591   268.189    57.469   46.885  7.2286  45.567  5.2966  1.318233       8.961387 
1 1 1 -22 -17 10 o 37.853  4.5188  182.613    40.684   180.222    68.545   183.914    50.550   35.871  8.0705  37.459  5.7450  -1.587616      9.906485 
1 1 1 -22 -17 11 o 46.964  4.4692  279.422    50.314   247.775    86.959   295.349    61.689   41.761  8.8564  47.839  5.4096  -6.077591      10.37787 
1 1 1 -22 -17 12 o 49.524  4.3945  309.823    52.258   250.884    90.309   339.494    64.076   41.891  9.1416  51.461  5.2031  -9.569687      10.51863 
1 1 1 -22 -17 13 o 38.765  5.7219  195.955    52.202   162.789    84.907   216.109    66.189   33.374  9.8248  40.062  7.0674  -6.688095      12.10268 
1 1 1 -22 -17 14 o 32.789  6.5249  143.838    50.086   129.753    83.513   151.750    62.591   30.151  9.8875  33.072  7.9070  -2.920818      12.66030 
1 1 1 -22 -17 15 o 39.141  5.9000  200.185    54.294   126.080    89.822   242.848    68.153   29.886  10.260  42.714  6.8041  -12.82850      12.31130 
1 1 1 -22 -17 16 o 32.116  7.0423  139.725    53.366   135.007    92.624   142.069    65.293   30.751  10.420  31.854  8.3471  -1.102188      13.35139 
1 1 1 -22 -17 17 o 60.847  6.0855  480.091    88.642   385.043    121.212  589.356    129.962  51.717  10.021  65.730  8.3361  -14.01243      13.03517 
1 1 1 -22 -17 18 o 58.787  7.5462  463.107    105.154  391.888    173.561  504.411    132.175  48.497  13.981  59.914  9.4013  -11.41712      16.84827 
1 1 1 -22 -17 19 o 70.136  6.6193  643.334    111.313  552.616    189.343  691.248    137.604  58.591  13.583  71.505  8.0723  -12.91398      15.80069 
1 1 1 -22 -17 20 o 60.202  4.6104  457.150    66.835   513.143    109.326  423.735    84.455   62.022  7.4113  57.084  6.1970  4.938766       9.660779 
1 1 1 -22 -17 21 o 55.596  4.8186  391.644    64.360   412.773    104.357  378.675    81.760   55.122  8.0391  53.818  6.3856  1.303356       10.26657 
1 1 1 -22 -17 22 o 58.592  4.7748  434.498    67.292   340.789    109.884  490.728    85.120   48.894  9.6048  61.733  5.7487  -12.83890      11.19376 
1 1 1 -22 -17 23 o 24.244  8.1254  77.443     56.311   95.801     107.602  70.519     66.083   28.040  10.943  23.939  8.7416  4.101133       14.00624 
1 1 1 -22 -17 24 o 26.789  8.5143  98.553     62.231   81.605     188.018  100.638    65.948   30.734  13.401  27.062  8.7822  3.672235       16.02223 
1 1 1 -22 -17 25 o 30.509  10.783  132.302    99.618   0.0000     0.0000   132.302    99.618   ?       ?       30.509  10.783  0.000000       10.78325 
1 1 1 -22 -17 26 o 39.251  9.7762  224.926    92.758   240.508    208.908  221.100    103.523  37.875  15.103  38.309  10.717  -0.4330940     18.51895 
1 1 1 -22 -17 27 o 61.746  7.9373  519.213    116.165  499.562    235.303  525.545    133.578  50.698  16.595  60.922  9.3339  -10.22341      19.04016 
1 1 1 -22 -17 28 o 55.205  4.6368  386.415    61.535   388.371    86.381   384.399    87.680   54.107  6.7247  53.718  6.8854  0.3881989      9.624456 
1 1 1 -22 -17 29 o 39.395  6.6186  207.602    61.022   192.644    73.443   240.952    109.663  36.934  8.3866  39.557  11.017  -2.622658      13.84609 
1 1 1 -22 -17 30 o 41.999  8.0262  245.382    78.810   245.382    78.810   0.0000     0.0000   41.999  8.0262  ?       ?       0.000000       8.026249 
1 1 1 -22 -17 31 o 80.825  6.9669  871.449    135.296  871.449    135.296  0.0000     0.0000   80.825  6.9669  ?       ?       0.000000       6.966912 
1 1 1 -22 -17 32 o 86.976  4.1678  949.371    87.958   969.300    124.521  929.524    124.262  86.207  5.9902  84.288  6.1176  1.919411       8.561963 
1 1 1 -22 -17 33 o 22.524  7.7724  66.535     51.576   51.800     68.871   85.351     77.827   22.076  8.7130  25.482  9.4555  -3.406406      12.85776 
1 1 1 -22 -17 34 o 53.138  4.5277  359.314    57.820   413.422    88.556   319.107    76.338   55.562  6.7042  48.803  6.6173  6.758900       9.419897 
1 1 1 -22 -17 35 o 29.290  6.4325  116.764    44.464   155.132    70.251   91.121     57.432   32.635  8.7095  25.514  8.1868  7.121069       11.95326 
1 1 1 -22 -17 36 o 15.135  6.2253  14.073     36.778   22.642     56.180   7.6463     48.653   18.396  7.6420  16.233  6.9451  2.163172       10.32636 
1 1 1 -22 -17 37 o 25.430  7.6931  90.805     51.520   74.593     67.156   113.995    80.318   23.903  8.7995  27.975  9.6966  -4.071356      13.09414 
1 1 1 -22 -17 38 o 36.253  7.3521  183.306    62.460   255.258    82.976   89.228     94.880   42.168  8.4047  26.165  10.258  16.00306       13.26170 
1 1 1 -22 -17 39 f 49.690  6.0503  328.317    71.441   367.122    95.462   278.916    107.709  51.046  7.9677  42.115  10.560  8.930515       13.22847 
1 1 1 -22 -17 40 o 44.673  6.4211  269.646    67.601   68.841     247.504  285.834    70.273   29.999  13.968  45.971  6.4797  -15.97223      15.39806 
1 1 1 -22 -17 41 o 18.850  7.5207  34.784     51.827   94.218     84.600   -0.9228    65.573   25.912  9.8076  17.571  7.7780  8.341394       12.51741 
1 1 1 -22 -17 42 o 44.053  6.0018  260.811    62.484   327.643    100.317  218.447    79.869   46.669  9.1860  38.196  8.7990  8.473141       12.72024 
1 1 1 -22 -17 43 o 13.384  6.3546  -52.6623   55.809   0.0000     0.0000   -52.6623   55.809   ?       ?       13.384  6.3546  0.000000       6.354560 
1 1 1 -22 -17 44 o 34.837  10.340  201.754    93.727   0.0000     0.0000   201.754    93.727   ?       ?       34.837  10.340  0.000000       10.34005 
1 1 1 -22 -17 45 f 24.000  9.1357  82.472     73.670   106.891    251.494  80.180     77.050   28.885  13.647  23.893  9.2782  4.992111       16.50249 
1 1 1 -22 -17 46 o 42.355  4.9167  237.123    49.589   225.070    64.751   254.219    77.117   39.699  6.9766  41.319  7.9809  -1.620018      10.60036 
1 1 1 -22 -17 47 o 74.510  4.2512  717.399    76.539   601.104    103.431  858.167    113.794  65.451  6.6030  79.239  5.9623  -13.78770      8.896583 
1 1 1 -22 -17 48 f 14.758  6.0423  17.488     34.450   9.8556     39.118   43.863     72.720   14.613  6.2391  20.420  8.6028  -5.806445      10.62707 
1 1 1 -22 -17 49 o 29.041  6.8961  124.617    47.869   102.264    57.084   177.580    87.869   25.450  8.1615  31.453  10.130  -6.003391      13.00874 
1 1 1 -22 -17 50 o 22.517  7.3101  76.668     45.692   94.887     51.870   13.559     96.538   24.641  7.7670  19.875  9.0596  4.765533       11.93323 
1 1 1 -22 -17 51 o 24.776  7.4912  95.417     48.860   75.094     56.879   152.639    95.441   22.133  8.1058  28.259  10.474  -6.125816      13.24410 
1 1 1 -22 -17 52 o 27.115  7.3149  113.524    49.235   74.100     58.514   209.114    91.114   21.974  8.1899  33.489  10.252  -11.51517      13.12167 
1 1 1 -22 -17 53 f 20.866  7.4292  64.893     47.368   64.278     50.848   68.931     130.282  20.829  7.6586  23.270  10.575  -2.441154      13.05695 
1 1 1 -22 -17 54 o 18.069  7.0473  41.151     44.599   43.257     47.049   22.485     140.041  18.435  7.2248  21.965  10.318  -3.529655      12.59569 
1 1 1 -22 -17 55 o 59.014  4.7732  465.448    67.763   403.531    85.850   567.775    110.365  52.412  6.9199  61.190  7.5969  -8.778278      10.27608 
1 1 1 -22 -17 56 o 23.994  7.2018  88.451     45.280   74.874     52.595   127.330    89.001   22.051  7.8308  26.349  10.039  -4.297817      12.73167 
1 1 1 -22 -17 57 f 20.157  9.4057  5.7791     113.176  -188.1806  255.561  53.099     126.229  21.682  10.897  22.433  10.276  -0.7513733     14.97793 
1 1 1 -22 -17 58 o 25.261  10.663  124.262    112.077  6.0888     269.595  148.952    123.230  23.843  11.862  26.447  11.174  -2.604889      16.29576 
1 1 1 -22 -17 59 f 22.886  10.083  87.533     108.904  167.204    248.299  68.556     121.182  25.414  12.392  22.244  10.143  3.170265       16.01425 
1 1 1 -22 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -16 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -16 4  o 19.532  6.4451  49.196     35.464   80.374     70.598   38.673     41.014   24.759  9.0362  18.503  6.8645  6.256138       11.34784 
1 1 1 -22 -16 5  o 49.004  4.0038  302.323    47.191   287.865    85.737   308.608    56.524   45.440  8.0718  49.130  4.8030  -3.689957      9.392734 
1 1 1 -22 -16 6  o 78.216  3.8215  762.993    72.526   739.978    124.340  774.861    89.289   74.479  6.9611  78.133  4.7321  -3.653824      8.417248 
1 1 1 -22 -16 7  o 113.212 6.1434  1668.27    168.127  1679.31    292.325  1662.81    205.520  104.860 11.688  110.940 7.6821  -6.079933      13.98666 
1 1 1 -22 -16 8  o 39.336  7.4716  211.660    68.706   325.759    143.832  177.927    78.206   44.695  12.678  35.099  9.1052  9.595371       15.60845 
1 1 1 -22 -16 9  o 52.292  4.0176  343.026    50.586   279.897    84.651   378.093    63.090   45.062  8.0369  54.532  4.8177  -9.470589      9.370262 
1 1 1 -22 -16 10 o 11.423  5.0482  -6.5393    27.512   13.293     45.584   -17.9036   34.506   16.467  6.8657  11.939  5.4320  4.528478       8.754684 
1 1 1 -22 -16 11 o 58.847  4.1186  433.994    58.438   416.369    98.585   443.542    72.560   55.671  7.4882  58.989  5.1203  -3.318710      9.071371 
1 1 1 -22 -16 12 f 31.504  6.2834  131.957    46.347   99.579     77.262   150.157    57.926   27.222  9.5061  33.176  7.3858  -5.954136      12.03813 
1 1 1 -22 -16 13 o 15.889  6.5465  14.030     40.757   8.9241     66.347   17.125     51.652   18.831  8.0847  17.667  7.3323  1.164055       10.91448 
1 1 1 -22 -16 14 o 47.974  4.9293  292.549    56.563   236.454    91.527   327.212    71.947   40.720  9.4465  50.224  6.0242  -9.503864      11.20384 
1 1 1 -22 -16 15 o 20.989  7.5173  52.483     48.566   51.481     86.932   52.938     58.556   23.844  9.6601  21.779  8.1779  2.064739       12.65683 
1 1 1 -22 -16 16 o 43.137  5.8292  241.024    59.451   245.239    103.077  238.923    72.776   40.985  10.360  42.182  7.3791  -1.197742      12.71923 
1 1 1 -22 -16 17 o 72.515  5.4340  669.702    94.916   597.062    131.479  748.760    137.164  66.380  8.3478  75.023  7.6416  -8.643730      11.31724 
1 1 1 -22 -16 18 o 101.297 5.8914  1313.74    144.179  1451.20    221.236  1212.26    190.090  103.089 8.9329  94.850  8.3445  8.239365       12.22404 
1 1 1 -22 -16 19 o 141.741 6.3548  2585.62    218.556  2642.17    326.430  2539.68    294.241  137.680 9.8361  136.525 8.9316  1.155212       13.28615 
1 1 1 -22 -16 20 o 99.053  4.2606  1222.95    102.401  1177.82    163.437  1252.12    131.388  94.723  7.1640  99.238  5.4777  -4.515511      9.018170 
1 1 1 -22 -16 21 o 62.803  5.2450  501.470    79.196   512.875    180.694  498.758    88.109   57.048  13.299  62.259  5.9031  -5.210724      14.55047 
1 1 1 -22 -16 22 o 39.242  4.9891  196.648    46.431   160.691    63.488   237.993    68.079   34.242  7.8137  42.369  6.8564  -8.126442      10.39542 
1 1 1 -22 -16 23 o 22.522  6.9508  66.846     41.786   88.519     55.845   39.276     62.987   25.629  8.0563  20.878  8.3031  4.750683       11.56918 
1 1 1 -22 -16 24 o 49.522  4.9305  311.569    58.457   300.640    84.713   321.505    80.769   47.210  7.6577  49.270  6.9491  -2.060207      10.34070 
1 1 1 -22 -16 25 o 18.913  8.4335  -12.7376   78.509   -197.6753  182.452  29.286     86.972   22.407  10.856  22.288  9.4001  0.1183701      14.35999 
1 1 1 -22 -16 26 o 25.009  9.8203  68.530     87.070   167.003    194.863  43.965     97.326   34.648  14.299  24.019  10.025  10.62850       17.46339 
1 1 1 -22 -16 27 o 50.318  8.7046  352.278    102.430  441.692    219.785  327.468    115.772  48.761  16.043  47.219  10.387  1.542824       19.11161 
1 1 1 -22 -16 28 o 17.524  7.3562  14.300     52.862   12.709     60.664   19.320     107.749  18.361  7.8025  23.322  10.158  -4.961529      12.80845 
1 1 1 -22 -16 29 o 54.724  6.8420  397.747    88.865   397.747    88.865   0.0000     0.0000   54.724  6.8420  ?       ?       0.000000       6.842042 
1 1 1 -22 -16 30 o 33.476  8.9674  161.262    74.303   161.262    74.303   0.0000     0.0000   33.476  8.9674  ?       ?       0.000000       8.967350 
1 1 1 -22 -16 31 o 128.207 4.3620  2064.89    135.694  1865.83    193.136  2258.93    190.689  118.965 6.7183  132.166 5.9462  -13.20103      8.971779 
1 1 1 -22 -16 32 o 80.963  4.3676  826.420    85.484   795.286    118.780  859.872    123.122  77.820  6.3457  80.961  6.3175  -3.140427      8.954313 
1 1 1 -22 -16 33 o 49.585  4.7122  313.689    56.013   439.256    86.536   223.147    73.483   57.717  6.2805  40.040  7.8441  17.67678       10.04864 
1 1 1 -22 -16 34 o 28.331  6.7243  109.908    45.531   159.632    72.014   76.794     58.768   33.164  8.8027  23.970  8.2952  9.194256       12.09535 
1 1 1 -22 -16 35 o 39.670  5.1547  204.066    48.444   223.075    74.470   190.120    63.785   39.855  7.9791  37.103  7.3450  2.752426       10.84500 
1 1 1 -22 -16 36 o 22.501  7.0772  68.531     43.089   134.383    69.590   27.589     54.872   30.341  8.8840  18.709  7.6390  11.63164       11.71665 
1 1 1 -22 -16 37 o 36.906  6.9111  186.273    59.614   166.612    77.228   215.262    93.774   33.508  9.2125  37.524  10.083  -4.015823      13.65818 
1 1 1 -22 -16 38 o 39.704  6.9019  215.314    64.079   210.380    84.280   222.072    98.649   37.603  9.2910  37.765  10.424  -0.1616478     13.96371 
1 1 1 -22 -16 39 f 30.419  7.8835  132.433    58.664   227.404    75.668   -10.6557   92.879   39.967  8.0805  20.004  9.0254  19.96338       12.11414 
1 1 1 -22 -16 40 o 22.755  8.1638  68.421     57.302   -196.9078  208.627  90.070     59.594   22.945  11.225  25.218  8.3564  -2.272358      13.99411 
1 1 1 -22 -16 41 o 48.088  5.8511  307.089    66.864   486.520    112.477  209.023    83.152   58.498  8.1453  37.187  9.2529  21.31137       12.32727 
1 1 1 -22 -16 42 o 18.852  7.8951  25.393     60.658   0.0000     0.0000   25.393     60.658   ?       ?       18.852  7.8951  0.000000       7.895149 
1 1 1 -22 -16 43 o 51.217  8.9186  390.618    106.807  0.0000     0.0000   390.618    106.807  ?       ?       51.217  8.9186  0.000000       8.918621 
1 1 1 -22 -16 44 f 36.029  10.582  216.950    98.595   113.335    238.677  238.269    108.264  29.567  13.750  37.209  11.129  -7.642004      17.68957 
1 1 1 -22 -16 45 f 18.907  8.5790  -6.6280    85.319   -383.9532  212.401  65.969     93.166   19.575  9.8502  23.534  9.8140  -3.958406      13.90471 
1 1 1 -22 -16 46 o 12.521  5.6005  -7.8247    34.916   -1.2402    38.953   -34.7444   78.761   13.740  6.0424  16.864  7.8614  -3.123756      9.915269 
1 1 1 -22 -16 47 o 50.372  5.0557  336.852    60.959   365.728    78.771   293.737    96.250   51.144  6.4939  42.617  9.5451  8.527351       11.54468 
1 1 1 -22 -16 48 o 35.227  6.3501  175.344    52.280   138.092    64.960   243.833    88.080   29.432  8.5735  38.463  9.4951  -9.030657      12.79305 
1 1 1 -22 -16 49 o 22.289  7.3372  73.839     45.972   47.912     54.167   140.611    86.925   19.570  7.7260  28.198  10.061  -8.628736      12.68561 
1 1 1 -22 -16 50 o 27.957  7.2630  118.569    49.715   110.038    57.419   144.115    99.361   26.266  8.1548  27.772  10.601  -1.506361      13.37437 
1 1 1 -22 -16 51 o 13.466  5.9578  -0.7824    38.424   -9.3567    43.035   32.922     85.322   13.507  6.1142  20.108  8.8882  -6.601558      10.78817 
1 1 1 -22 -16 52 o 17.896  6.8027  41.260     40.813   47.892     46.262   17.979     86.675   18.937  7.2320  19.340  8.7229  -0.4032421     11.33100 
1 1 1 -22 -16 53 o 6.3716  3.2176  -75.1685   23.824   -68.3299   24.206   -286.3761  134.525  6.6880  3.3602  15.254  7.6960  -8.565702      8.397553 
1 1 1 -22 -16 54 o 18.158  7.2381  39.618     47.966   39.923     50.911   37.206     143.090  18.381  7.4116  22.631  10.565  -4.249840      12.90574 
1 1 1 -22 -16 55 o 36.193  6.4500  189.265    54.567   137.431    64.803   315.565    101.156  28.781  8.6105  42.480  9.9829  -13.69963      13.18324 
1 1 1 -22 -16 56 o 18.280  7.0671  42.754     44.549   23.891     50.832   105.225    92.507   16.957  7.1708  24.739  9.9852  -7.782104      12.29325 
1 1 1 -22 -16 57 o 18.668  8.8045  -22.3910   103.824  -79.8609   254.329  -10.8985   113.732  23.009  11.459  19.657  9.2540  3.351984       14.72928 
1 1 1 -22 -16 58 o 23.122  10.114  83.454     107.852  -248.2980  244.958  163.230    120.121  20.538  10.365  27.411  11.260  -6.873589      15.30396 
1 1 1 -22 -16 59 o 18.380  8.8011  -32.8181   111.863  -12.7203   260.720  -37.3526   123.841  22.989  11.473  18.896  9.1020  4.092693       14.64534 
1 1 1 -22 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -15 3  o 9.7253  4.3872  -9.9886    21.936   0.0000     0.0000   -9.9886    21.936   ?       ?       9.7253  4.3872  0.000000       4.387210 
1 1 1 -22 -15 4  o 48.209  4.3404  294.178    50.227   213.053    106.773  317.231    56.918   37.041  11.046  49.870  4.7616  -12.82842      12.02839 
1 1 1 -22 -15 5  o 68.945  4.8108  603.955    79.974   589.247    113.558  618.428    112.648  66.324  7.1705  68.188  6.9036  -1.864441      9.953708 
1 1 1 -22 -15 6  o 29.698  5.2303  115.075    36.312   149.965    73.780   103.921    41.714   32.270  9.0541  27.790  6.3280  4.479950       11.04629 
1 1 1 -22 -15 7  o 74.303  5.8128  712.837    103.964  652.728    183.316  741.337    126.227  65.168  12.037  74.753  7.0423  -9.584854      13.94537 
1 1 1 -22 -15 8  o 20.015  8.0583  33.708     60.088   0.0000     0.0000   33.708     60.088   ?       ?       20.015  8.0583  0.000000       8.058334 
1 1 1 -22 -15 9  o 54.638  3.9535  373.259    52.059   397.925    88.617   360.261    64.330   54.903  6.7973  53.182  5.0456  1.720749       8.465325 
1 1 1 -22 -15 10 o 14.009  5.6916  12.042     30.271   -77.6064   50.509   62.289     37.814   11.756  5.6996  21.744  6.5937  -9.988104      8.715646 
1 1 1 -22 -15 11 o 74.057  4.0856  684.570    73.132   649.275    119.906  705.477    92.284   70.145  7.1447  74.588  5.1303  -4.443016      8.795864 
1 1 1 -22 -15 12 f 97.333  4.0374  1177.84    95.350   1153.00    152.328  1193.85    122.266  94.125  6.7138  97.094  5.2088  -2.969322      8.497438 
1 1 1 -22 -15 13 o 45.351  5.1725  262.353    55.900   155.121    96.863   315.901    68.448   32.844  10.642  49.515  5.8075  -16.67088      12.12339 
1 1 1 -22 -15 14 o 62.387  4.4860  488.348    67.455   429.671    113.250  520.612    83.977   56.128  8.5888  63.923  5.4668  -7.795650      10.18105 
1 1 1 -22 -15 15 o 41.574  5.5061  222.076    54.176   276.265    93.201   194.422    66.580   44.649  8.9151  37.992  7.4887  6.656597       11.64302 
1 1 1 -22 -15 16 o 28.612  7.0840  110.293    48.920   130.689    80.747   98.465     61.490   30.613  9.6952  26.995  8.4485  3.618275       12.85977 
1 1 1 -22 -15 17 o 21.414  8.6151  38.115     68.620   31.002     114.486  42.103     85.725   24.873  10.648  23.236  9.5246  1.637209       14.28610 
1 1 1 -22 -15 18 o 52.098  7.2049  358.362    88.641   198.023    143.290  457.758    112.819  36.455  12.928  58.325  8.1983  -21.87001      15.30794 
1 1 1 -22 -15 19 o 57.457  5.2361  418.969    72.198   336.312    90.751   561.487    119.165  50.165  7.7018  65.032  7.7015  -14.86718      10.89179 
1 1 1 -22 -15 20 o 31.251  6.0869  128.353    44.496   157.201    59.533   91.840     66.976   34.136  7.4010  26.384  8.8614  7.751207       11.54558 
1 1 1 -22 -15 21 o 22.634  6.9161  67.236     41.488   50.177     54.306   91.149     64.297   21.246  7.8955  26.222  8.6794  -4.976240      11.73335 
1 1 1 -22 -15 22 o 37.870  5.4225  184.496    48.404   175.054    65.811   195.623    71.442   35.871  7.7847  37.852  8.0275  -1.981247      11.18226 
1 1 1 -22 -15 23 o 68.080  4.3012  579.601    70.686   569.949    97.076   590.494    103.130  66.534  6.0804  67.546  6.3676  -1.011856      8.804368 
1 1 1 -22 -15 24 o 51.028  5.0365  330.609    61.547   311.570    80.324   357.680    95.783   48.538  7.0245  51.520  7.9154  -2.982018      10.58287 
1 1 1 -22 -15 25 o 96.158  6.9643  1209.30    161.390  1216.16    281.064  1205.92    197.128  88.328  13.547  94.126  8.7306  -5.798416      16.11618 
1 1 1 -22 -15 26 o 78.328  7.3220  811.604    137.544  920.620    253.576  766.159    163.721  75.468  14.373  74.293  9.2850  1.175560       17.11102 
1 1 1 -22 -15 27 o 38.450  15.260  240.790    212.356  240.790    212.356  0.0000     0.0000   38.450  15.260  ?       ?       0.000000       15.26026 
1 1 1 -22 -15 28 o 58.706  6.6011  452.364    92.398   452.364    92.398   0.0000     0.0000   58.706  6.6011  ?       ?       0.000000       6.601071 
1 1 1 -22 -15 29 o 25.841  8.7002  89.914     64.562   89.914     64.562   0.0000     0.0000   25.841  8.7002  ?       ?       0.000000       8.700184 
1 1 1 -22 -15 30 o 86.949  4.2441  946.068    89.539   924.245    123.485  970.263    130.021  84.432  6.0680  86.352  6.2477  -1.920464      8.709455 
1 1 1 -22 -15 31 o 35.060  6.9481  166.468    57.019   177.915    75.504   151.278    86.981   35.260  8.8414  32.068  10.050  3.191730       13.38568 
1 1 1 -22 -15 32 o 78.633  4.1172  775.618    78.281   924.648    118.575  660.482    104.222  84.526  5.8168  71.167  6.0943  13.35977       8.424758 
1 1 1 -22 -15 33 o 51.558  4.6697  338.269    57.785   399.295    89.605   294.821    75.607   54.620  6.9160  46.887  6.8477  7.733261       9.732484 
1 1 1 -22 -15 34 o 12.696  5.6578  -9.6332    35.276   12.206     56.565   -23.5327   45.126   17.700  7.5283  13.468  6.1602  4.231756       9.727422 
1 1 1 -22 -15 35 o 58.308  4.4274  430.796    62.170   461.389    94.847   407.750    82.321   58.746  6.7784  55.604  6.2074  3.141239       9.191238 
1 1 1 -22 -15 36 o 20.349  6.9603  53.009     41.328   35.520     63.159   66.104     54.653   20.227  8.2200  22.594  7.9869  -2.366552      11.46123 
1 1 1 -22 -15 37 o 39.284  6.9224  210.142    63.573   263.589    81.926   129.251    100.789  43.289  8.0974  29.621  10.799  13.66820       13.49753 
1 1 1 -22 -15 38 o 38.324  6.7579  199.622    60.544   179.147    79.357   228.139    93.652   34.728  9.2514  38.789  9.9133  -4.060425      13.55956 
1 1 1 -22 -15 39 o 30.711  8.1110  135.581    61.338   182.758    80.649   70.845     94.473   34.943  9.3348  24.902  10.077  10.04132       13.73609 
1 1 1 -22 -15 40 o 20.904  8.1741  47.948     60.123   95.392     86.287   3.1790     83.819   26.315  9.9182  19.842  8.7881  6.473139       13.25148 
1 1 1 -22 -15 41 o 33.637  9.9604  176.137    87.047   0.0000     0.0000   176.137    87.047   ?       ?       33.637  9.9604  0.000000       9.960410 
1 1 1 -22 -15 42 o 45.300  8.7788  301.933    93.010   0.0000     0.0000   301.933    93.010   ?       ?       45.300  8.7788  0.000000       8.778813 
1 1 1 -22 -15 43 o 73.371  7.9118  764.840    138.625  863.272    297.219  737.474    156.715  57.374  18.645  69.944  9.4783  -12.56993      20.91599 
1 1 1 -22 -15 44 o 94.635  7.5178  1261.99    171.204  837.688    317.138  1436.51    203.387  52.077  19.130  99.026  8.5485  -46.94846      20.95288 
1 1 1 -22 -15 45 o 21.460  9.4303  28.071     94.727   -58.9025   196.724  54.324     108.083  24.035  11.552  23.616  10.229  0.4196873      15.42999 
1 1 1 -22 -15 46 o 14.791  6.3234  8.4047     40.280   3.3750     46.985   22.353     78.242   15.293  6.6827  19.788  8.6359  -4.494910      10.91959 
1 1 1 -22 -15 47 o 29.821  6.9053  128.706    48.980   134.210    58.740   116.147    88.733   29.686  7.9820  26.685  10.058  3.000731       12.84021 
1 1 1 -22 -15 48 o 48.028  5.3240  310.318    61.000   276.745    75.730   372.347    102.937  43.408  7.4589  48.560  9.0699  -5.152256      11.74300 
1 1 1 -22 -15 49 o 20.103  7.2839  56.173     45.753   38.715     55.096   94.958     82.123   18.813  7.6649  24.504  9.5613  -5.691799      12.25432 
1 1 1 -22 -15 50 f 13.039  5.7962  -3.4722    36.789   3.5929     40.772   -34.4310   85.348   14.219  6.2190  17.099  8.0392  -2.879753      10.16387 
1 1 1 -22 -15 51 o 32.595  6.8916  157.068    52.801   99.383     62.494   300.963    98.704   24.756  8.5549  41.718  9.8997  -16.96203      13.08393 
1 1 1 -22 -15 52 o 17.374  7.1513  30.555     48.574   22.599     52.092   83.567     134.467  16.998  7.2271  24.195  10.893  -7.196777      13.07270 
1 1 1 -22 -15 53 o 15.901  6.7877  16.457     46.287   18.134     49.381   4.3203     132.843  16.364  6.9989  21.277  10.012  -4.913094      12.21577 
1 1 1 -22 -15 54 o 28.951  7.3821  128.648    52.017   142.789    60.775   89.916     100.581  29.827  8.1609  23.896  10.095  5.930450       12.98126 
1 1 1 -22 -15 55 o 15.408  6.4686  17.465     40.879   13.902     46.105   30.564     88.399   15.689  6.7377  20.171  8.9749  -4.482422      11.22256 
1 1 1 -22 -15 56 o 10.587  5.0072  -30.6283   34.015   -34.7221   36.834   -6.9118    88.657   10.879  5.1644  18.360  8.4831  -7.480529      9.931458 
1 1 1 -22 -15 57 o 25.576  10.643  121.104    109.253  -35.7818   307.040  143.847    116.904  24.456  12.242  26.823  11.073  -2.366999      16.50712 
1 1 1 -22 -15 58 o 29.666  11.379  193.745    114.840  386.671    364.173  172.442    121.014  28.525  14.121  27.983  11.376  0.5420971      18.13349 
1 1 1 -22 -15 59 o 14.849  7.2972  -106.4350  91.297   -362.7821  362.821  -89.1062   94.333   ?       ?       15.560  7.5986  0.000000       7.598647 
1 1 1 -22 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -14 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -14 3  o 90.991  6.9252  1098.47    151.749  0.0000     0.0000   1098.47    151.749  ?       ?       90.991  6.9252  0.000000       6.925239 
1 1 1 -22 -14 4  o 80.588  3.8198  808.610    74.692   681.174    125.001  879.378    93.150   71.294  7.3304  83.436  4.6192  -12.14218      8.664371 
1 1 1 -22 -14 5  f 18.728  5.9755  44.916     30.630   99.307     67.131   30.616     34.421   26.861  8.8676  16.920  6.2864  9.940472       10.86978 
1 1 1 -22 -14 6  o 43.700  4.0580  239.976    42.538   195.788    71.299   264.398    53.006   37.599  8.0576  45.553  4.8710  -7.954567      9.415552 
1 1 1 -22 -14 7  o 47.333  6.6266  295.528    74.019   176.409    136.129  345.528    88.195   34.318  12.544  50.779  7.3736  -16.46101      14.55086 
1 1 1 -22 -14 8  o 64.142  6.0902  532.171    93.647   572.498    175.912  516.223    110.626  61.274  12.260  62.217  7.4778  -0.9426460     14.36047 
1 1 1 -22 -14 9  f 45.924  4.2776  265.090    47.118   162.068    79.549   320.766    58.479   33.742  9.3783  50.315  4.8502  -16.57224      10.55824 
1 1 1 -22 -14 10 o 34.931  4.9234  156.003    40.572   156.720    68.640   155.618    50.299   33.594  8.4333  34.377  6.2608  -0.7828331     10.50327 
1 1 1 -22 -14 11 o 70.751  4.2187  624.953    72.093   538.433    121.870  671.527    89.416   63.303  8.1216  72.889  5.0877  -9.585938      9.583562 
1 1 1 -22 -14 12 o 78.799  4.2231  774.312    80.451   830.342    134.730  743.264    100.295  79.745  7.0351  76.522  5.4370  3.223030       8.891265 
1 1 1 -22 -14 13 o 93.770  4.1007  1091.55    93.302   1013.50    152.770  1137.99    117.830  88.055  7.2135  95.013  5.1300  -6.958290      8.851660 
1 1 1 -22 -14 14 o 14.626  6.2307  3.2649     38.859   21.975     67.087   -6.1821    47.670   20.026  8.3376  15.292  6.7056  4.733904       10.69956 
1 1 1 -22 -14 15 o 45.691  5.0563  264.777    55.117   167.605    91.187   320.718    69.187   34.330  10.201  50.008  5.8102  -15.67830      11.73972 
1 1 1 -22 -14 16 f 54.978  4.5942  379.340    60.725   489.168    101.591  318.286    75.745   61.246  6.9598  49.525  6.4570  11.72148       9.493720 
1 1 1 -22 -14 17 o 53.968  5.2992  369.503    68.497   364.813    86.808   377.240    111.503  52.822  6.9411  52.456  9.0899  0.3662338      11.43698 
1 1 1 -22 -14 18 o 11.662  5.4974  -41.4365   40.388   -54.5652   47.745   -8.4098    75.727   12.350  5.8678  19.034  8.3954  -6.683242      10.24274 
1 1 1 -22 -14 19 o 60.034  5.2516  456.174    75.728   403.602    96.481   540.534    122.218  55.354  7.3663  63.683  8.0922  -8.328789      10.94281 
1 1 1 -22 -14 20 o 45.893  4.7089  265.519    51.694   258.078    70.691   274.072    75.786   44.375  6.7806  45.610  7.0773  -1.235027      9.801255 
1 1 1 -22 -14 21 o 45.718  5.0208  264.925    54.779   258.520    72.325   273.543    83.893   44.318  6.9547  45.098  7.9575  -0.7795906     10.56836 
1 1 1 -22 -14 22 o 11.516  5.4669  -47.1750   41.288   -78.5360   48.238   38.751     79.847   11.372  5.5265  22.540  9.2104  -11.16818      10.74120 
1 1 1 -22 -14 23 o 98.420  4.1992  1203.86    100.281  1129.56    139.277  1283.84    144.506  93.897  6.1470  100.278 5.9660  -6.380669      8.566147 
1 1 1 -22 -14 24 o 79.504  4.3943  789.959    84.441   672.217    114.254  931.686    125.352  71.997  6.6142  85.235  6.1014  -13.23792      8.998577 
1 1 1 -22 -14 25 o 70.904  8.1360  674.293    137.438  417.606    249.934  785.557    164.551  47.612  17.053  75.667  9.1482  -28.05561      19.35204 
1 1 1 -22 -14 26 o 26.831  10.565  79.540     101.036  54.617     197.415  88.385     117.606  30.645  13.534  28.292  11.315  2.352884       17.64097 
1 1 1 -22 -14 27 o 35.311  14.690  166.707    208.051  166.707    208.051  0.0000     0.0000   35.311  14.690  ?       ?       0.000000       14.69046 
1 1 1 -22 -14 28 o 63.525  7.2061  534.669    109.108  534.669    109.108  0.0000     0.0000   63.525  7.2061  ?       ?       0.000000       7.206143 
1 1 1 -22 -14 29 o 48.585  6.2745  308.709    72.240   273.384    84.524   404.436    139.142  44.645  8.1011  51.875  11.368  -7.230015      13.95954 
1 1 1 -22 -14 30 o 44.795  6.1691  262.857    65.274   207.023    83.400   351.133    104.867  38.060  9.1449  50.025  8.9689  -11.96555      12.80905 
1 1 1 -22 -14 31 o 26.128  7.0833  93.153     46.034   89.956     70.015   95.587     61.096   25.950  9.0500  26.370  8.4421  -0.4201508     12.37624 
1 1 1 -22 -14 32 o 86.232  4.1477  930.085    86.783   943.418    127.503  918.577    118.457  85.089  6.2187  84.310  5.8262  0.7786484      8.521589 
1 1 1 -22 -14 33 o 118.971 4.3078  1776.35    124.354  1939.71    182.598  1635.06    169.823  122.058 6.1856  111.928 6.2784  10.12987       8.813665 
1 1 1 -22 -14 34 o 22.088  7.4867  63.606     47.811   112.298    73.169   27.323     63.161   28.108  9.2567  19.651  8.1280  8.457275       12.31875 
1 1 1 -22 -14 35 o 50.997  5.1335  334.562    62.659   289.968    98.929   364.436    80.970   44.595  9.4371  52.378  6.5116  -7.782940      11.46560 
1 1 1 -22 -14 36 o 16.258  7.0099  4.4474     50.285   79.013     83.374   -38.1847   63.042   25.207  9.6891  15.383  7.1239  9.823604       12.02616 
1 1 1 -22 -14 37 o 94.973  5.8131  1173.16    133.315  1486.94    178.032  772.606    201.148  105.397 7.0014  69.422  12.396  35.97462       14.23673 
1 1 1 -22 -14 38 o 47.780  7.4391  313.593    83.437   433.815    116.834  188.462    119.196  54.864  9.0950  34.172  11.814  20.69128       14.90973 
1 1 1 -22 -14 39 o 31.430  7.7484  139.952    58.716   139.576    99.974   140.150    72.546   30.331  10.794  30.804  9.0853  -0.4736900     14.10834 
1 1 1 -22 -14 40 o 34.915  9.5703  184.629    83.492   0.0000     0.0000   184.629    83.492   ?       ?       34.915  9.5703  0.000000       9.570319 
1 1 1 -22 -14 41 o 26.729  9.5634  102.726    78.583   0.0000     0.0000   102.726    78.583   ?       ?       26.729  9.5634  0.000000       9.563422 
1 1 1 -22 -14 42 f 32.905  9.0990  163.695    75.085   -52.1620   247.542  185.567    78.797   27.168  13.031  35.023  9.1659  -7.854549      15.93181 
1 1 1 -22 -14 43 f 20.627  9.0551  16.654     87.145   -155.0978  207.524  53.424     96.021   23.238  11.331  23.393  9.8721  -0.1554661     15.02803 
1 1 1 -22 -14 44 f 60.715  8.8016  546.310    125.884  620.256    253.044  521.991    145.115  49.132  17.201  56.654  10.953  -7.522320      20.39202 
1 1 1 -22 -14 45 o 20.208  7.3208  53.401     46.214   63.433     56.260   32.589     81.036   21.767  8.0467  20.807  8.9341  0.9594135      12.02368 
1 1 1 -22 -14 46 o 20.954  7.4053  60.168     46.980   54.452     57.497   71.651     81.487   20.798  8.0321  23.353  9.3907  -2.554928      12.35713 
1 1 1 -22 -14 47 f 25.991  7.4440  100.309    49.345   66.121     59.394   176.494    88.663   21.897  8.2335  32.148  10.157  -10.25131      13.07497 
1 1 1 -22 -14 48 o 31.970  6.7968  147.482    51.100   109.730    62.446   224.004    88.905   26.405  8.5435  36.522  9.8199  -10.11675      13.01620 
1 1 1 -22 -14 49 o 40.386  6.0740  227.541    57.679   226.394    71.628   229.657    97.277   38.605  7.9125  35.796  10.510  2.809162       13.15549 
1 1 1 -22 -14 50 o 14.303  6.3456  -0.9780    43.880   -16.6108   49.924   52.121     92.009   14.085  6.4561  21.741  9.4277  -7.655767      11.42641 
1 1 1 -22 -14 51 o 15.483  6.3558  20.927     38.242   34.309     42.108   -42.0741   91.367   17.279  6.8150  17.280  8.1826  -0.1033783E-02 10.64891 
1 1 1 -22 -14 52 o 20.680  7.5558  61.919     49.381   56.614     52.719   99.885     141.031  20.199  7.7187  25.054  11.228  -4.855045      13.62500 
1 1 1 -22 -14 53 o 11.305  5.3698  -37.2028   39.934   -30.7692   41.551   -115.0500  144.537  11.933  5.6102  18.899  9.2660  -6.965326      10.83204 
1 1 1 -22 -14 54 o 17.632  6.6207  39.838     38.379   57.507     42.471   -38.8366   89.618   20.022  7.0447  17.212  8.1366  2.810024       10.76254 
1 1 1 -22 -14 55 o 12.094  5.3670  -3.5755    31.410   23.446     34.337   -142.1154  77.749   15.315  6.1178  12.929  6.4220  2.385833       8.869595 
1 1 1 -22 -14 56 o 20.513  9.3835  18.761     104.739  293.509    360.770  -6.5276    109.454  28.862  14.245  19.786  9.2383  9.076021       16.97870 
1 1 1 -22 -14 57 o 33.169  11.669  235.508    116.528  159.738    348.753  245.031    123.633  26.895  13.398  33.236  11.984  -6.340691      17.97596 
1 1 1 -22 -14 58 o 27.727  11.152  164.066    114.944  525.531    380.899  127.851    120.564  29.950  14.755  25.528  10.928  4.422062       18.36079 
1 1 1 -22 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -13 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -13 3  o 39.730  5.4544  204.570    51.193   97.560     85.821   263.680    63.784   27.161  9.9553  44.903  6.0047  -17.74129      11.62598 
1 1 1 -22 -13 4  o 28.080  5.3032  103.062    34.809   53.321     82.625   113.795    38.381   23.506  9.4546  29.441  5.5770  -5.934729      10.97692 
1 1 1 -22 -13 5  o 31.612  4.7253  128.082    35.133   72.422     57.413   161.402    44.421   23.723  8.1996  35.317  5.3514  -11.59370      9.791396 
1 1 1 -22 -13 6  o 66.443  4.6454  556.189    74.421   510.848    99.586   613.536    111.997  62.456  6.6748  68.371  6.8429  -5.915138      9.559207 
1 1 1 -22 -13 7  o 91.131  5.7429  1061.56    126.339  1082.62    214.805  1050.42    156.215  87.320  10.339  89.302  7.2725  -1.982529      12.64072 
1 1 1 -22 -13 8  o 56.538  3.9599  398.538    53.981   313.152    88.389   449.327    68.170   48.231  7.8206  59.708  4.7445  -11.47693      9.147216 
1 1 1 -22 -13 9  o 32.019  5.2479  132.186    39.358   196.278    66.347   97.385     48.889   38.224  7.4210  26.863  7.3069  11.36107       10.41451 
1 1 1 -22 -13 10 o 45.685  4.8315  263.969    52.745   154.666    82.101   340.783    68.827   33.116  9.6362  51.639  5.5819  -18.52304      11.13615 
1 1 1 -22 -13 11 f 46.341  4.9110  271.661    54.378   218.300    99.866   294.151    64.833   38.967  10.377  47.918  5.6871  -8.951279      11.83338 
1 1 1 -22 -13 12 o 54.529  4.5030  372.629    59.045   298.830    99.655   412.550    73.296   46.538  9.1514  57.026  5.3601  -10.48747      10.60558 
1 1 1 -22 -13 13 o 68.024  4.2556  576.528    69.888   506.520    116.388  616.004    87.399   61.774  7.9495  69.883  5.1914  -8.109734      9.494453 
1 1 1 -22 -13 14 o 72.769  4.7515  663.327    83.436   536.698    182.733  696.680    93.782   59.726  12.980  74.338  5.2327  -14.61242      13.99513 
1 1 1 -22 -13 15 f 63.083  3.8758  493.592    59.038   497.634    83.574   489.565    83.410   62.631  5.5571  62.099  5.5957  0.5320663      7.886307 
1 1 1 -22 -13 16 o 61.604  3.9594  471.165    58.871   497.725    83.452   444.853    83.061   62.652  5.5469  59.052  5.8750  3.600384       8.079807 
1 1 1 -22 -13 17 o 49.522  5.6072  312.483    66.190   252.051    82.510   421.582    110.861  43.279  8.1563  56.104  8.4023  -12.82438      11.70994 
1 1 1 -22 -13 18 o 52.024  5.8371  345.817    72.413   323.587    87.065   395.702    130.423  49.529  7.4775  52.971  10.518  -3.441414      12.90530 
1 1 1 -22 -13 19 o 64.288  5.6063  524.364    86.577   517.909    103.915  539.013    156.545  63.200  6.8879  61.762  10.842  1.437908       12.84457 
1 1 1 -22 -13 20 f 66.274  4.3144  547.396    69.001   484.870    93.267   623.001    102.559  61.413  6.3507  69.817  6.1157  -8.404575      8.816664 
1 1 1 -22 -13 21 o 72.099  4.2021  646.780    73.194   615.757    100.005  682.572    107.416  69.459  5.9924  73.080  6.1139  -3.621056      8.560918 
1 1 1 -22 -13 22 o 75.993  4.4800  721.003    82.241   630.093    110.885  832.159    122.611  69.863  6.6202  80.563  6.3232  -10.69953      9.154781 
1 1 1 -22 -13 23 o 61.329  4.8802  473.263    72.020   451.523    93.705   504.644    112.577  59.002  6.6620  61.787  7.6744  -2.785679      10.16261 
1 1 1 -22 -13 24 o 56.332  5.6811  405.188    76.591   388.709    90.549   446.625    143.583  54.471  7.0139  55.678  11.018  -1.207043      13.06111 
1 1 1 -22 -13 25 o 38.760  10.936  219.831    107.327  -259.3882  206.002  398.375    125.741  23.177  11.298  53.078  10.133  -29.90149      15.17655 
1 1 1 -22 -13 26 o 39.544  15.348  247.100    210.736  247.100    210.736  0.0000     0.0000   39.544  15.348  ?       ?       0.000000       15.34755 
1 1 1 -22 -13 27 o 70.998  6.6794  656.193    113.713  656.193    113.713  0.0000     0.0000   70.998  6.6794  ?       ?       0.000000       6.679353 
1 1 1 -22 -13 28 o 100.541 5.0017  1273.09    122.019  1314.25    152.476  1199.80    203.477  100.956 6.2553  93.464  9.0873  7.492538       11.03215 
1 1 1 -22 -13 29 o 75.861  4.8007  726.117    87.911   721.612    122.202  730.949    126.561  74.166  6.8686  74.467  7.0900  -0.3007736     9.871519 
1 1 1 -22 -13 30 o 26.650  7.6148  97.169     51.697   36.287     86.227   131.333    64.593   22.649  9.4429  30.626  8.4274  -7.976673      12.65663 
1 1 1 -22 -13 31 o 40.254  6.1308  212.844    57.990   152.426    94.468   249.378    73.459   32.254  10.513  42.994  7.3029  -10.73948      12.80071 
1 1 1 -22 -13 32 o 64.481  4.7490  526.853    73.779   552.469    113.787  508.271    96.911   64.127  7.4519  62.185  6.5198  1.941193       9.901390 
1 1 1 -22 -13 33 o 113.894 4.3390  1627.49    119.909  1846.51    177.709  1444.43    162.468  119.202 6.1652  105.127 6.3997  14.07487       8.886315 
1 1 1 -22 -13 34 o 90.768  4.3008  1034.11    94.721   1148.87    140.875  939.412    127.965  93.813  6.2242  84.758  6.2666  9.054626       8.832385 
1 1 1 -22 -13 35 o 54.938  5.1567  387.654    67.936   536.310    108.533  291.886    87.112   63.122  7.2159  45.774  8.1415  17.34769       10.87902 
1 1 1 -22 -13 36 o 50.855  5.3060  334.030    64.510   305.394    98.705   355.381    85.232   46.010  9.1634  51.359  7.0236  -5.348953      11.54555 
1 1 1 -22 -13 37 o 58.668  6.5541  457.542    91.705   530.114    126.079  376.013    133.632  61.256  8.7295  48.931  11.457  12.32488       14.40388 
1 1 1 -22 -13 38 o 17.627  7.6754  3.6984     61.489   17.469     93.605   -6.7546    81.553   21.700  9.4588  19.248  8.5881  2.452099       12.77594 
1 1 1 -22 -13 39 o 19.139  7.7652  31.059     56.259   0.0000     0.0000   31.059     56.259   ?       ?       19.139  7.7652  0.000000       7.765212 
1 1 1 -22 -13 40 o 24.173  9.2680  73.233     76.163   0.0000     0.0000   73.233     76.163   ?       ?       24.173  9.2680  0.000000       9.268033 
1 1 1 -22 -13 41 o 19.664  8.3919  20.934     70.717   0.0001     232.820  23.061     74.224   28.184  13.260  20.137  8.5956  8.047661       15.80203 
1 1 1 -22 -13 42 f 28.737  8.3029  120.800    61.148   54.280     92.160   173.113    81.729   23.420  9.7632  33.565  9.5689  -10.14530      13.67054 
1 1 1 -22 -13 43 o 28.945  10.776  130.472    101.254  238.026    216.417  100.330    114.566  34.403  14.681  27.082  11.046  7.321415       18.37240 
1 1 1 -22 -13 44 o 33.965  11.162  196.834    106.408  385.462    226.531  143.432    120.533  39.714  15.762  29.601  11.574  10.11317       19.55473 
1 1 1 -22 -13 45 o 33.902  7.0973  163.713    56.510   178.452    75.401   144.825    85.354   33.931  9.0078  29.885  10.004  4.046112       13.46167 
1 1 1 -22 -13 46 o 31.441  7.6664  145.997    57.959   101.288    78.934   198.303    85.377   25.748  9.5287  34.922  9.7192  -9.174307      13.61103 
1 1 1 -22 -13 47 o 15.146  6.6546  1.6910     47.154   15.173     62.060   -16.7227   72.529   17.831  7.7375  17.024  7.7952  0.8070545      10.98337 
1 1 1 -22 -13 48 o 20.644  7.6828  57.836     51.456   35.390     67.104   89.868     80.164   19.582  8.2577  24.371  9.4639  -4.789326      12.56004 
1 1 1 -22 -13 49 o 12.184  5.7885  -42.8359   46.454   -53.7130   59.943   -26.4796   73.506   13.646  6.5092  16.448  7.6431  -2.801639      10.03924 
1 1 1 -22 -13 50 o 23.367  8.0238  83.899     54.934   15.162     70.387   191.006    87.863   18.251  8.0697  32.782  10.073  -14.53156      12.90664 
1 1 1 -22 -13 51 o 12.071  5.7048  -36.1111   44.008   -40.2824   51.816   -25.3143   83.364   13.046  6.1731  17.271  8.0636  -4.225687      10.15524 
1 1 1 -22 -13 52 o 11.888  5.6627  -42.7139   45.046   -60.0548   47.718   99.263     136.538  11.526  5.5761  25.058  11.151  -13.53162      12.46774 
1 1 1 -22 -13 53 o 23.849  7.9179  88.874     53.495   70.248     57.466   209.828    146.440  21.748  8.1141  30.198  12.422  -8.449694      14.83702 
1 1 1 -22 -13 54 o 44.068  5.7347  269.042    59.866   268.330    74.412   270.348    100.798  42.220  7.5405  38.620  10.486  3.599747       12.91607 
1 1 1 -22 -13 55 o 12.595  5.6276  -5.4602    35.154   -7.5362    39.417   2.6099     77.716   13.124  5.9042  18.066  8.1937  -4.942614      10.09938 
1 1 1 -22 -13 56 o 18.952  8.8701  -17.0483   101.898  14.694     362.186  -19.7767   106.188  26.019  13.063  19.137  8.9879  6.881546       15.85624 
1 1 1 -22 -13 57 o 14.365  7.0786  -123.6178  87.840   213.641    362.414  -144.6666  90.539   27.516  13.700  14.124  7.0008  13.39187       15.38470 
1 1 1 -22 -13 58 o 25.444  10.539  123.948    106.415  516.611    385.714  91.597     110.712  29.752  14.693  23.637  10.295  6.115461       17.94102 
1 1 1 -22 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -12 2  o 29.083  6.9281  114.965    48.192   0.0000     0.0000   114.965    48.192   ?       ?       29.083  6.9281  0.000000       6.928097 
1 1 1 -22 -12 3  o 60.401  3.9660  455.880    57.801   463.822    122.647  453.613    65.535   57.622  9.0722  59.983  4.5363  -2.361374      10.14310 
1 1 1 -22 -12 4  o 29.365  4.5292  110.268    31.234   74.786     53.349   128.772    38.527   23.875  7.9062  31.541  5.2164  -7.666601      9.472036 
1 1 1 -22 -12 5  o 23.201  5.6796  71.092     31.716   57.847     50.410   79.769     40.803   21.754  7.6728  24.407  6.6905  -2.653358      10.18008 
1 1 1 -22 -12 6  o 59.570  5.9014  456.219    84.177   462.905    149.072  453.090    101.993  56.091  11.343  58.487  7.3493  -2.396591      13.51577 
1 1 1 -22 -12 7  o 34.665  7.4279  162.133    60.597   320.666    112.492  97.325     71.925   47.458  10.080  27.098  9.1826  20.35948       13.63568 
1 1 1 -22 -12 8  o 20.852  6.1689  56.596     33.402   34.204     54.968   69.705     42.057   19.736  7.7858  23.028  6.9473  -3.291868      10.43472 
1 1 1 -22 -12 9  f 19.704  6.3096  49.051     34.127   34.331     55.954   57.770     43.063   19.879  7.8511  21.431  7.1036  -1.551916      10.58773 
1 1 1 -22 -12 10 o 23.599  7.0274  73.256     43.240   179.693    77.950   25.948     51.968   36.015  8.9574  18.664  7.5014  17.35061       11.68358 
1 1 1 -22 -12 11 o 45.302  5.0055  259.580    54.102   220.566    96.605   277.407    65.303   39.490  10.055  46.485  5.9245  -6.994167      11.67082 
1 1 1 -22 -12 12 o 45.772  5.4876  266.824    59.732   83.970     142.685  305.678    65.772   29.880  12.273  48.969  5.6385  -19.08894      13.50593 
1 1 1 -22 -12 13 o 34.406  5.0997  150.956    41.285   191.697    58.011   109.148    58.766   38.354  6.4635  28.464  8.1139  9.890001       10.37358 
1 1 1 -22 -12 14 o 41.552  4.5661  216.981    45.276   214.769    63.919   219.209    64.142   40.550  6.7327  40.997  6.6780  -0.4472923     9.482826 
1 1 1 -22 -12 15 o 49.734  4.4278  309.184    52.873   259.351    73.991   361.182    75.581   44.495  7.0914  53.182  5.9596  -8.687164      9.263087 
1 1 1 -22 -12 16 o 53.391  4.7294  357.339    60.635   320.428    88.656   389.778    83.114   49.281  7.6633  55.106  6.3310  -5.825512      9.940152 
1 1 1 -22 -12 17 o 80.423  5.3675  814.025    104.140  753.492    129.118  926.698    176.158  76.378  7.0466  83.370  8.8433  -6.991966      11.30746 
1 1 1 -22 -12 18 o 43.421  6.9230  246.318    70.489   197.394    81.535   391.072    140.249  37.920  8.9972  52.242  11.386  -14.32191      14.51151 
1 1 1 -22 -12 19 o 52.271  4.9456  343.698    61.981   373.314    89.993   316.974    85.488   53.535  7.1034  49.128  7.4012  4.406948       10.25846 
1 1 1 -22 -12 20 o 36.507  5.8111  171.740    49.749   150.563    65.076   201.520    77.172   33.338  8.1202  38.510  8.4875  -5.172565      11.74631 
1 1 1 -22 -12 21 o 26.924  7.0022  96.486     46.175   91.638     60.552   103.223    71.378   26.383  8.4000  27.933  9.1401  -1.549469      12.41375 
1 1 1 -22 -12 22 o 55.604  5.1283  390.108    68.410   443.543    94.791   332.023    98.829   58.504  6.8047  49.635  8.5124  8.868462       10.89797 
1 1 1 -22 -12 23 o 47.251  6.0465  287.160    67.734   267.798    92.216   309.843    99.814   44.222  8.9022  47.612  8.9690  -3.389416      12.63698 
1 1 1 -22 -12 24 o 21.510  9.5433  -10.7856   99.253   -16.5306   184.904  -8.4603    117.637  28.008  12.677  23.352  10.374  4.656073       16.38011 
1 1 1 -22 -12 25 o 25.432  11.900  -94.2532   183.240  -94.2532   183.240  0.0000     0.0000   25.432  11.900  ?       ?       0.000000       11.90032 
1 1 1 -22 -12 26 o 26.093  12.163  -80.4181   188.516  -80.4181   188.516  0.0000     0.0000   26.093  12.163  ?       ?       0.000000       12.16322 
1 1 1 -22 -12 27 o 27.811  9.0478  104.634    69.983   104.375    85.245   105.170    122.566  28.183  9.9736  29.720  11.657  -1.536900      15.34154 
1 1 1 -22 -12 28 o 65.252  5.1705  539.831    81.193   627.624    111.656  441.316    118.279  69.397  6.7149  56.651  8.8980  12.74635       11.14742 
1 1 1 -22 -12 29 o 31.058  7.2029  130.697    53.227   132.406    89.864   129.774    66.062   30.673  10.265  30.514  8.5697  0.1591930      13.37173 
1 1 1 -22 -12 30 o 39.524  6.4878  206.338    60.058   315.971    95.254   133.996    77.377   47.854  8.5156  30.741  9.4537  17.11279       12.72357 
1 1 1 -22 -12 31 o 77.552  4.4288  755.522    82.993   876.396    126.909  665.202    109.702  82.036  6.4270  71.442  6.3962  10.59425       9.067387 
1 1 1 -22 -12 32 o 42.188  6.0917  233.378    60.552   267.462    99.237   213.162    76.428   42.937  9.7481  39.092  8.3133  3.844376       12.81158 
1 1 1 -22 -12 33 o 50.742  5.5370  332.569    67.067   438.437    105.327  260.373    86.978   56.722  7.8645  43.026  8.6315  13.69561       11.67706 
1 1 1 -22 -12 34 o 67.917  4.7186  584.902    77.277   683.265    119.233  513.657    101.475  71.698  6.9406  62.178  6.8390  9.519848       9.743904 
1 1 1 -22 -12 35 o 18.434  7.3983  28.585     50.471   28.373     87.335   28.692     61.844   21.980  9.3518  19.643  8.0753  2.337147       12.35580 
1 1 1 -22 -12 36 f 22.511  8.1762  63.234     57.699   -32.8693   87.644   136.744    76.653   18.688  8.5614  30.603  9.4091  -11.91518      12.72124 
1 1 1 -22 -12 37 o 77.037  6.0857  776.306    112.830  947.046    152.623  570.534    167.550  83.468  7.6200  60.279  11.878  23.18871       14.11208 
1 1 1 -22 -12 38 f 38.957  10.888  236.952    106.905  0.0000     0.0000   236.952    106.905  ?       ?       38.957  10.888  0.000000       10.88771 
1 1 1 -22 -12 39 o 24.498  9.0489  78.171     71.117   0.0000     0.0000   78.171     71.117   ?       ?       24.498  9.0489  0.000000       9.048929 
1 1 1 -22 -12 40 o 13.505  6.5773  -104.7059  69.342   70.814     224.774  -123.1671  72.897   30.143  13.773  13.414  6.5775  16.72961       15.26258 
1 1 1 -22 -12 41 o 34.892  7.4390  170.797    61.057   261.581    90.926   96.245     82.397   42.052  9.1697  26.300  9.7351  15.75169       13.37368 
1 1 1 -22 -12 42 o 58.987  4.9753  449.618    70.546   466.664    96.796   430.306    103.031  58.466  6.9600  55.266  7.9088  3.199951       10.53516 
1 1 1 -22 -12 43 o 13.295  6.6103  -173.0383  83.178   -142.8897  193.290  -179.8901  92.146   22.830  11.087  14.158  7.0254  8.671761       13.12565 
1 1 1 -22 -12 44 o 18.519  8.5866  -34.2098   92.009   173.106    207.542  -84.9215   102.647  31.498  13.896  17.691  8.4605  13.80678       16.26853 
1 1 1 -22 -12 45 o 21.599  7.8886  62.426     53.820   142.892    72.848   -34.2799   79.862   30.246  9.1475  17.186  7.9795  13.06060       12.13872 
1 1 1 -22 -12 46 o 14.963  6.6603  -4.7279    48.732   81.837     63.805   -125.9178  75.494   23.772  8.6034  13.383  6.5883  10.38891       10.83628 
1 1 1 -22 -12 47 o 20.761  7.6301  58.114     50.462   24.699     67.995   99.085     75.291   19.036  8.1790  25.350  9.3195  -6.313799      12.39958 
1 1 1 -22 -12 48 o 43.785  5.4471  258.861    56.619   233.529    80.938   283.138    79.233   38.513  8.8474  43.708  7.7549  -5.195690      11.76500 
1 1 1 -22 -12 49 o 12.657  5.9903  -40.9095   48.842   -71.1494   63.391   3.2667     76.619   13.415  6.4740  18.230  8.2138  -4.815356      10.45841 
1 1 1 -22 -12 50 o 21.929  7.8661  71.050     53.198   81.392     68.400   55.217     84.632   23.146  8.8047  21.662  9.2110  1.483789       12.74229 
1 1 1 -22 -12 51 o 28.727  7.8570  128.867    56.346   233.061    76.401   4.6099     83.433   38.407  8.4295  18.660  8.4734  19.74697       11.95223 
1 1 1 -22 -12 52 o 25.265  8.8972  104.908    67.758   107.767    79.875   97.568     127.966  25.300  9.5409  24.943  10.961  0.3566551      14.53167 
1 1 1 -22 -12 53 o 17.221  7.4737  17.341     57.917   -25.3515   66.362   153.796    118.640  15.595  7.2518  27.953  11.299  -12.35836      13.42601 
1 1 1 -22 -12 54 o 15.082  6.6724  2.1252     48.185   -41.2530   62.318   66.612     75.983   14.402  6.8012  21.997  8.9862  -7.594808      11.26974 
1 1 1 -22 -12 55 o 25.792  7.5128  102.288    49.882   82.838     61.571   139.434    85.089   23.135  8.4394  27.969  9.9573  -4.833899      13.05268 
1 1 1 -22 -12 56 o 23.737  10.368  80.300     112.979  721.880    376.173  16.690     118.448  35.093  16.614  21.183  9.7939  13.90992       19.28556 
1 1 1 -22 -12 57 o 17.267  8.1917  -40.6604   92.391   64.972     369.623  -47.7002   95.420   26.088  13.110  17.265  8.2290  8.823175       15.47886 
1 1 1 -22 -12 58 o 14.572  7.0921  -84.4007   80.243   -658.0763  367.311  -55.6500   82.229   ?       ?       15.697  7.5239  0.000000       7.523948 
1 1 1 -22 -11 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -22 -11 2  o 23.807  6.1655  75.627     35.898   116.518    68.568   60.187     42.134   28.887  8.9021  21.568  7.0207  7.318676       11.33739 
1 1 1 -22 -11 3  o 69.562  3.6068  600.390    60.668   583.992    99.592   610.065    76.501   67.187  6.1783  69.668  4.5505  -2.480881      7.673213 
1 1 1 -22 -11 4  o 56.901  3.6918  402.339    50.696   369.426    84.304   420.983    63.450   53.109  6.6905  57.857  4.5566  -4.747726      8.094802 
1 1 1 -22 -11 5  o 80.607  3.8198  804.721    74.709   677.579    118.624  888.303    96.181   72.084  6.8651  84.113  4.7318  -12.02812      8.337871 
1 1 1 -22 -11 6  o 30.527  7.8666  127.066    58.633   107.588    109.938  134.809    69.313   29.446  11.172  31.199  8.7836  -1.753717      14.21124 
1 1 1 -22 -11 7  o 52.544  6.2200  356.149    77.763   269.731    140.256  394.504    93.439   42.074  12.686  54.805  7.2009  -12.73099      14.58681 
1 1 1 -22 -11 8  o 22.757  6.1648  68.095     34.884   79.915     56.104   60.645     44.541   24.812  8.1026  21.916  7.2225  2.895805       10.85431 
1 1 1 -22 -11 9  o 38.562  4.8361  188.238    44.255   139.677    71.090   218.965    56.549   31.876  8.8678  41.281  5.8061  -9.405180      10.59944 
1 1 1 -22 -11 10 o 38.564  6.2160  192.821    56.188   216.727    148.749  188.842    60.684   38.406  13.203  37.908  6.8495  0.4973145      14.87356 
1 1 1 -22 -11 11 o 117.911 4.2813  1722.83    122.490  1886.33    199.365  1623.68    155.247  121.300 6.8011  113.602 5.6321  7.698112       8.830369 
1 1 1 -22 -11 12 o 76.149  3.7734  714.933    69.720   685.756    100.287  742.226    96.994   73.658  5.6545  76.864  5.2318  -3.206345      7.703531 
1 1 1 -22 -11 13 o 56.369  4.1790  395.053    56.750   377.581    79.283   413.411    81.269   54.360  6.1171  56.975  5.9671  -2.614986      8.545443 
1 1 1 -22 -11 14 o 123.595 4.4267  1893.44    132.754  1774.31    212.829  1969.32    169.845  117.118 7.5292  125.260 5.5883  -8.141647      9.376429 
1 1 1 -22 -11 15 o 97.275  3.9135  1167.26    92.370   1080.02    130.312  1255.36    130.952  92.476  5.8375  99.993  5.4175  -7.517159      7.964038 
1 1 1 -22 -11 16 o 77.090  4.8429  742.120    90.127   630.600    105.164  1050.60    174.906  70.384  6.2219  89.589  8.1348  -19.20508      10.24141 
1 1 1 -22 -11 17 o 82.540  5.4297  856.439    108.138  807.551    134.521  945.735    181.806  79.188  7.0756  84.266  9.0326  -5.078262      11.47402 
1 1 1 -22 -11 18 o 103.138 5.5489  1337.56    138.352  1304.04    176.324  1391.25    223.168  100.580 7.2740  102.258 9.0892  -1.677299      11.64148 
1 1 1 -22 -11 19 o 127.395 4.2488  2008.34    131.336  1941.63    186.629  2073.78    184.859  123.733 6.2363  128.259 5.9400  -4.526215      8.612502 
1 1 1 -22 -11 20 o 59.495  4.6197  442.159    66.166   444.734    93.030   439.524    94.126   58.793  6.6375  58.378  6.7708  0.4151421      9.481584 
1 1 1 -22 -11 21 o 80.564  4.2519  805.799    82.823   800.456    116.603  811.241    117.663  79.351  6.1029  79.877  6.1174  -0.5268097     8.641072 
1 1 1 -22 -11 22 o 125.148 4.3697  1942.57    132.689  2007.31    191.655  1882.98    183.888  125.760 6.2808  121.695 6.2486  4.064774       8.859615 
1 1 1 -22 -11 23 o 35.073  7.4551  164.315    61.488   216.292    90.614   119.957    83.711   39.404  9.5721  29.894  9.9039  9.510504       13.77361 
1 1 1 -22 -11 24 o 52.037  15.955  452.337    220.572  452.337    220.572  0.0000     0.0000   52.037  15.955  ?       ?       0.000000       15.95471 
1 1 1 -22 -11 25 o 25.757  12.013  -88.6767   184.296  -88.6767   184.296  0.0000     0.0000   25.757  12.013  ?       ?       0.000000       12.01331 
1 1 1 -22 -11 26 o 39.896  15.428  244.928    212.364  244.928    212.364  0.0000     0.0000   39.896  15.428  ?       ?       0.000000       15.42827 
1 1 1 -22 -11 27 o 41.578  6.8639  227.985    66.830   161.376    94.276   295.264    94.749   33.631  10.451  46.396  8.7371  -12.76470      13.62169 
1 1 1 -22 -11 28 o 87.657  4.2796  956.662    91.023   1091.74    139.165  855.668    120.331  92.130  6.2625  81.626  6.1200  10.50396       8.756353 
1 1 1 -22 -11 29 f 60.189  4.9442  458.235    71.568   577.006    112.592  377.714    92.706   66.210  7.1203  53.304  7.3644  12.90564       10.24373 
1 1 1 -22 -11 30 o 82.103  4.4270  844.932    87.866   921.900    133.601  786.264    116.642  84.165  6.5948  77.992  6.2153  6.173309       9.062077 
1 1 1 -22 -11 31 o 28.521  7.7888  112.071    55.421   88.784     90.900   125.849    69.920   26.818  10.162  29.908  8.9431  -3.090256      13.53707 
1 1 1 -22 -11 32 o 89.980  4.4124  1014.47    96.336   1186.27    146.026  882.066    128.190  95.540  6.3351  82.210  6.4789  13.33031       9.061404 
1 1 1 -22 -11 33 o 46.827  5.8459  285.380    64.976   389.843    102.531  215.273    83.995   53.244  8.1994  38.784  9.0850  14.46052       12.23795 
1 1 1 -22 -11 34 o 59.004  5.0418  444.490    71.489   519.579    111.746  392.465    93.015   61.983  7.5886  54.005  7.2842  7.978558       10.51886 
1 1 1 -22 -11 35 o 16.154  6.9949  1.9662     50.506   65.086     87.723   -29.3305   61.771   24.529  9.7851  15.730  7.1995  8.798764       12.14824 
1 1 1 -22 -11 36 o 37.869  7.9822  200.417    71.032   161.347    99.936   240.309    100.981  32.629  10.822  39.889  10.346  -7.259502      14.97148 
1 1 1 -22 -11 37 o 12.942  6.3589  -124.5536  69.204   0.0000     0.0000   -124.5536  69.204   ?       ?       12.942  6.3589  0.000000       6.358943 
1 1 1 -22 -11 38 o 19.807  8.6759  5.9463     79.609   0.0000     0.0000   5.9463     79.609   ?       ?       19.807  8.6759  0.000000       8.675932 
1 1 1 -22 -11 39 f 46.803  8.0936  306.831    88.587   43.329     247.935  345.394    94.848   30.408  14.098  49.660  8.1546  -19.25273      16.28638 
1 1 1 -22 -11 40 o 22.521  8.0605  65.630     55.829   29.255     84.544   93.757     74.344   21.554  9.1866  26.014  9.3025  -4.459368      13.07400 
1 1 1 -22 -11 41 o 35.220  6.9041  170.745    56.893   246.127    79.912   93.267     81.015   41.520  8.2230  26.029  9.6495  15.49096       12.67795 
1 1 1 -22 -11 42 o 39.190  9.7589  235.431    92.445   39.695     192.630  294.001    105.372  27.645  12.675  43.586  10.153  -15.94094      16.23973 
1 1 1 -22 -11 43 o 24.375  9.0574  81.140     71.461   -301.8955  171.205  161.952    78.638   18.713  9.3326  32.425  9.4295  -13.71230      13.26697 
1 1 1 -22 -11 44 o 33.848  9.5904  179.958    82.357   333.326    186.187  142.650    91.830   39.304  14.617  29.822  10.366  9.481815       17.91972 
1 1 1 -22 -11 45 o 48.413  5.1900  308.838    60.017   273.459    85.024   343.972    84.730   42.876  8.4732  49.335  7.2984  -6.458912      11.18310 
1 1 1 -22 -11 46 o 29.761  7.1921  128.314    51.358   140.288    72.641   116.346    72.621   29.772  9.1606  27.259  9.2270  2.512840       13.00210 
1 1 1 -22 -11 47 o 19.501  7.4537  47.124     49.167   91.010     72.068   8.9133     67.246   24.598  9.1046  17.942  7.9127  6.656267       12.06250 
1 1 1 -22 -11 48 o 15.752  7.1597  -12.3994   59.755   -13.5751   68.733   -8.7601    120.926  16.698  7.6242  21.043  9.7867  -4.344913      12.40594 
1 1 1 -22 -11 49 o 20.321  7.7373  55.186     52.852   60.111     69.245   48.312     81.803   21.488  8.6509  21.248  9.0456  0.2404728      12.51648 
1 1 1 -22 -11 50 o 30.532  7.9013  144.413    58.985   230.902    82.452   53.751     84.418   37.556  9.1356  21.581  9.1885  15.97456       12.95716 
1 1 1 -22 -11 51 o 23.302  7.9197  83.435     53.503   110.693    70.047   45.262     82.893   25.868  9.0504  20.888  9.0032  4.979710       12.76583 
1 1 1 -22 -11 52 o 19.036  7.9104  38.447     60.224   81.002     68.857   -100.0535  124.222  23.013  8.8149  18.113  8.8174  4.899939       12.46786 
1 1 1 -22 -11 53 o 18.336  7.7603  30.014     59.608   13.519     68.286   82.818     122.178  17.930  7.9371  24.243  10.680  -6.312946      13.30629 
1 1 1 -22 -11 54 o 33.145  7.4844  166.089    58.768   89.071     78.836   262.410    88.164   23.858  9.3517  39.863  9.2874  -16.00522      13.17986 
1 1 1 -22 -11 55 o 14.536  6.5848  -9.4258    50.016   -12.4802   63.956   -4.6164    80.253   16.018  7.3291  17.969  8.2175  -1.951288      11.01107 
1 1 1 -22 -11 56 o 20.411  9.3322  16.378     103.430  -81.4466   367.972  24.769     107.775  25.320  12.769  20.998  9.5717  4.321980       15.95814 
1 1 1 -22 -11 57 o 22.986  11.687  -303.4786  354.322  -303.4786  354.322  0.0000     0.0000   22.986  11.687  ?       ?       0.000000       11.68663 
1 1 1 -22 -11 58 o 14.477  7.0944  -101.3471  84.397   -214.2367  336.934  -93.7900   87.176   22.765  11.557  14.950  7.3014  7.815621       13.67001 
1 1 1 -22 -10 1  o 38.715  6.4569  197.961    58.519   0.0000     0.0000   197.961    58.519   ?       ?       38.715  6.4569  0.000000       6.456940 
1 1 1 -22 -10 2  o 52.577  3.9141  344.931    49.576   250.432    97.363   378.009    57.602   41.816  9.7717  54.873  4.3623  -13.05644      10.70123 
1 1 1 -22 -10 3  o 41.801  3.8353  218.213    38.466   235.938    64.901   208.615    47.757   42.409  6.5155  40.477  4.9668  1.932022       8.192703 
1 1 1 -22 -10 4  o 25.653  5.0686  85.319     30.431   125.895    51.703   63.813     37.641   30.602  7.1003  22.061  6.5538  8.541439       9.662668 
1 1 1 -22 -10 5  o 45.897  7.0772  277.622    76.282   238.104    126.501  300.203    95.624   39.882  12.053  46.854  8.7325  -6.971603      14.88357 
1 1 1 -22 -10 6  o 41.543  7.5605  230.220    73.403   100.743    126.658  295.697    90.070   29.900  11.811  46.853  8.2227  -16.95328      14.39152 
1 1 1 -22 -10 7  o 49.177  4.1632  301.673    49.210   261.721    79.214   326.781    62.798   44.377  7.6318  50.833  5.1631  -6.455761      9.214232 
1 1 1 -22 -10 8  o 45.527  4.4433  259.635    48.458   249.678    77.197   266.110    62.250   43.378  7.6122  45.627  5.7505  -2.249397      9.540108 
1 1 1 -22 -10 9  o 20.659  5.6441  55.430     29.095   67.640     36.066   32.677     49.234   22.738  6.3130  19.077  7.4144  3.660212       9.737893 
1 1 1 -22 -10 10 o 17.746  6.3660  34.822     34.843   25.880     46.532   46.235     52.568   18.071  7.1524  20.867  7.7655  -2.796263      10.55746 
1 1 1 -22 -10 11 o 96.153  3.8707  1140.04    90.307   1162.03    129.199  1119.03    126.276  96.109  5.5641  94.322  5.5419  1.786972       7.853128 
1 1 1 -22 -10 12 o 89.951  3.8862  997.513    84.820   985.647    120.951  1008.99    118.980  88.465  5.6645  89.604  5.4990  -1.139252      7.894660 
1 1 1 -22 -10 13 o 71.864  4.0583  639.331    70.475   674.453    98.786   602.928    100.572  73.166  5.6071  68.934  6.0749  4.232239       8.267087 
1 1 1 -22 -10 14 o 18.625  6.8942  36.012     41.325   30.474     56.652   42.309     60.413   19.769  7.8706  21.269  8.2279  -1.500296      11.38612 
1 1 1 -22 -10 15 o 77.958  4.1171  752.200    77.602   727.307    110.585  776.351    108.925  75.785  6.0646  78.471  5.7610  -2.685890      8.364738 
1 1 1 -22 -10 16 o 112.952 5.7202  1603.69    156.260  1572.39    201.827  1650.52    246.890  110.406 7.5799  111.588 9.2005  -1.182381      11.92071 
1 1 1 -22 -10 17 o 82.014  5.8157  848.320    114.982  713.964    145.395  1072.63    187.866  73.793  8.2621  90.255  8.6858  -16.46178      11.98770 
1 1 1 -22 -10 18 o 23.879  9.0694  59.295     72.502   62.384     85.981   51.696     134.879  25.173  9.7940  28.065  11.764  -2.892008      15.30754 
1 1 1 -22 -10 19 o 76.506  4.7118  729.267    87.042   821.030    138.696  669.643    111.799  79.815  7.2405  72.487  6.4229  7.327629       9.678781 
1 1 1 -22 -10 20 o 92.257  4.1759  1051.92    93.479   1064.81    131.577  1038.77    132.830  91.794  5.9393  90.574  6.0793  1.219688       8.499040 
1 1 1 -22 -10 21 o 98.452  4.2991  1199.76    102.698  1181.85    142.910  1218.89    147.682  96.558  6.1315  97.988  6.2440  -1.429390      8.751140 
1 1 1 -22 -10 22 o 14.663  6.6481  -24.5700   51.110   -18.8591   76.759   -29.1185   68.504   18.694  8.3372  17.035  7.7124  1.659788       11.35741 
1 1 1 -22 -10 23 o 41.742  9.6153  241.613    95.380   241.613    95.380   0.0000     0.0000   41.742  9.6153  ?       ?       0.000000       9.615290 
1 1 1 -22 -10 24 o 35.147  14.512  138.876    200.814  138.876    200.814  0.0000     0.0000   35.147  14.512  ?       ?       0.000000       14.51160 
1 1 1 -22 -10 25 o 58.442  16.123  569.407    236.081  569.407    236.081  0.0000     0.0000   58.442  16.123  ?       ?       0.000000       16.12349 
1 1 1 -22 -10 26 o 54.356  8.4989  398.342    108.421  106.508    225.164  486.431    123.706  34.346  14.821  59.982  8.7579  -25.63623      17.21509 
1 1 1 -22 -10 27 o 46.649  4.8880  275.134    54.505   234.311    87.789   300.741    69.529   41.096  9.0489  48.288  6.0682  -7.192142      10.89520 
1 1 1 -22 -10 28 o 21.257  7.0591  56.980     42.518   -27.4519   72.839   100.617    52.365   17.552  7.9490  27.266  7.6200  -9.714022      11.01143 
1 1 1 -22 -10 29 o 40.877  5.6520  215.550    54.559   351.945    86.406   125.112    70.359   51.628  7.0842  29.999  8.9713  21.62942       11.43110 
1 1 1 -22 -10 30 o 63.060  4.4716  499.402    67.976   628.416    106.535  410.807    88.283   69.604  6.3790  56.037  6.6208  13.56703       9.193797 
1 1 1 -22 -10 31 o 49.194  4.9820  307.915    58.648   353.720    92.962   277.630    75.589   51.214  7.7208  45.659  7.0500  5.554638       10.45527 
1 1 1 -22 -10 32 o 54.347  4.7293  374.082    61.742   362.285    96.719   382.196    80.213   51.572  7.9875  54.132  6.2200  -2.560341      10.12365 
1 1 1 -22 -10 33 o 63.951  4.4438  515.250    68.527   546.549    107.483  493.814    88.950   64.168  7.0177  61.663  6.0219  2.504822       9.247208 
1 1 1 -22 -10 34 o 26.599  7.1765  96.960     47.387   121.430    79.792   83.627     58.898   29.208  9.6689  24.923  8.3098  4.284735       12.74913 
1 1 1 -22 -10 35 o 43.282  5.6176  243.679    57.605   273.274    97.988   228.049    71.211   43.340  9.5733  40.851  7.4591  2.489365       12.13620 
1 1 1 -22 -10 36 f 12.702  6.2108  -107.2071  63.630   0.0000     0.0000   -107.2071  63.630   ?       ?       12.702  6.2108  0.000000       6.210800 
1 1 1 -22 -10 37 o 18.812  8.4102  -10.7151   78.625   0.0000     0.0000   -10.7151   78.625   ?       ?       18.812  8.4102  0.000000       8.410245 
1 1 1 -22 -10 38 o 26.460  8.4207  98.202     60.856   0.0000     0.0000   98.202     60.856   ?       ?       26.460  8.4207  0.000000       8.420701 
1 1 1 -22 -10 39 o 21.224  7.4306  57.496     47.221   62.806     66.450   52.079     67.117   22.875  8.6839  21.953  8.6214  0.9213009      12.23676 
1 1 1 -22 -10 40 o 40.608  6.0496  219.148    57.787   288.244    83.330   155.134    80.207   45.442  7.8409  32.156  9.5700  13.28541       12.37195 
1 1 1 -22 -10 41 o 31.538  6.9962  137.978    52.137   162.431    73.317   112.964    74.155   33.132  8.9214  27.803  9.3244  5.328989       12.90488 
1 1 1 -22 -10 42 o 70.358  6.7961  670.054    114.578  447.042    228.881  744.630    132.357  44.513  16.266  73.336  7.5459  -28.82230      17.93147 
1 1 1 -22 -10 43 o 18.172  7.9910  4.3756     68.126   35.449     167.663  -1.7691    74.558   26.230  11.950  18.482  8.2315  7.747663       14.51031 
1 1 1 -22 -10 44 o 19.629  7.3588  46.711     47.376   61.983     67.345   31.747     66.661   22.323  8.6727  19.802  8.2833  2.521221       11.99286 
1 1 1 -22 -10 45 o 22.433  7.5752  70.690     48.946   126.127    69.366   15.717     69.075   28.587  8.9775  18.780  8.1562  9.807419       12.12928 
1 1 1 -22 -10 46 o 45.442  5.6046  277.258    60.487   234.761    87.158   316.743    84.012   38.512  9.4078  46.784  7.6663  -8.272644      12.13585 
1 1 1 -22 -10 47 o 33.124  7.0062  158.004    54.551   285.524    76.753   27.827     77.548   44.466  7.3720  20.003  8.6647  24.46313       11.37638 
1 1 1 -22 -10 48 o 52.232  5.2440  364.671    65.564   403.509    94.167   328.130    91.340   52.461  7.6206  46.388  8.4253  6.072731       11.36041 
1 1 1 -22 -10 49 o 49.577  5.7333  336.350    67.696   454.216    93.968   209.173    97.609   56.139  7.0542  33.961  10.647  22.17810       12.77178 
1 1 1 -22 -10 50 o 39.426  6.8350  224.801    63.016   182.016    84.344   278.861    94.807   32.320  9.8581  40.713  9.7297  -8.392853      13.85098 
1 1 1 -22 -10 51 o 43.630  7.6714  286.283    78.247   312.182    91.475   215.655    151.059  44.237  8.8315  30.760  12.630  13.47722       15.41158 
1 1 1 -22 -10 52 o 18.889  8.0479  31.864     64.848   45.097     75.215   -6.4601    128.001  20.469  8.6931  21.023  9.8716  -0.5533142     13.15366 
1 1 1 -22 -10 53 o 13.962  6.4056  -17.3183   49.308   24.074     62.750   -84.1334   79.724   18.180  7.8347  14.807  7.1743  3.373701       10.62319 
1 1 1 -22 -10 54 o 33.110  7.6452  166.831    60.179   139.082    78.994   205.209    92.897   28.373  9.6232  33.692  10.358  -5.318209      14.13855 
1 1 1 -22 -10 55 o 22.533  9.8300  59.902     101.276  -650.1547  364.324  119.367    105.432  ?       ?       26.093  10.614  0.000000       10.61395 
1 1 1 -22 -10 56 o 31.314  11.670  206.355    118.815  454.379    382.018  179.794    125.015  30.889  15.128  29.249  11.677  1.640022       19.11028 
1 1 1 -22 -10 57 o 24.302  12.291  -123.3247  357.737  -123.3247  357.737  0.0000     0.0000   24.302  12.291  ?       ?       0.000000       12.29094 
1 1 1 -22 -9  1  o 49.795  5.0100  314.875    59.710   292.478    99.150   327.621    74.794   45.657  9.2667  50.186  6.2796  -4.529133      11.19398 
1 1 1 -22 -9  2  o 64.801  3.5802  520.278    56.074   468.399    90.699   552.375    71.342   60.174  6.3057  66.403  4.4537  -6.228531      7.719885 
1 1 1 -22 -9  3  o 20.879  6.2469  56.651     34.108   39.774     47.923   73.978     48.557   19.584  7.3890  23.770  7.5172  -4.186613      10.54067 
1 1 1 -22 -9  4  o 89.137  3.7638  981.843    81.406   945.108    130.241  1005.40    104.286  85.866  6.2951  89.564  4.8165  -3.698532      7.926307 
1 1 1 -22 -9  5  o 31.151  8.3070  132.409    63.940   122.865    108.573  137.477    79.115   30.751  11.209  31.537  9.5317  -0.7855816     14.71342 
1 1 1 -22 -9  6  o 42.797  7.6779  243.656    76.801   261.827    128.044  233.446    95.984   42.173  11.961  40.845  9.8084  1.327778       15.46860 
1 1 1 -22 -9  7  o 19.652  5.4515  49.951     26.907   37.993     33.719   70.911     44.642   18.073  6.2818  23.374  7.1796  -5.301247      9.539733 
1 1 1 -22 -9  8  o 38.743  4.1577  187.610    38.474   161.458    52.077   219.035    57.087   35.232  6.3241  41.345  5.8540  -6.113091      8.617690 
1 1 1 -22 -9  9  o 103.444 3.8434  1318.99    96.469   1243.38    136.855  1393.67    136.004  99.355  5.7007  105.444 5.3331  -6.089455      7.806425 
1 1 1 -22 -9  10 o 47.532  4.4660  282.146    50.903   279.429    69.746   285.243    74.461   46.650  6.3248  46.978  6.7242  -0.3278427     9.231338 
1 1 1 -22 -9  11 o 14.622  6.1171  6.7011     36.361   23.591     47.075   -18.2807   57.251   17.948  7.1655  16.082  7.1841  1.866146       10.14670 
1 1 1 -22 -9  12 o 13.982  6.1672  -9.4463    40.863   45.814     57.365   -66.3703   58.222   21.338  8.0762  13.667  6.4895  7.670613       10.36040 
1 1 1 -22 -9  13 o 62.512  4.4853  485.905    67.581   492.367    98.531   480.164    92.868   62.049  6.6480  61.417  6.3222  0.6325073      9.174162 
1 1 1 -22 -9  14 o 99.012  4.0842  1208.90    98.121   1265.70    142.090  1157.12    135.662  100.301 5.8639  95.892  5.8587  4.409477       8.289150 
1 1 1 -22 -9  15 o 191.375 4.9809  4551.42    231.289  4538.10    330.961  4564.13    323.355  188.630 7.2311  189.417 7.0356  -0.7868958     10.08897 
1 1 1 -22 -9  16 o 196.720 7.0376  4923.07    335.920  4680.46    451.698  5223.29    502.473  187.296 9.9753  196.812 10.561  -9.515884      14.52691 
1 1 1 -22 -9  17 o 95.721  5.7828  1151.99    133.680  1194.56    172.703  1088.37    211.144  96.391  7.4418  90.154  9.8106  6.236145       12.31373 
1 1 1 -22 -9  18 o 69.494  4.7306  601.541    79.293   693.727    127.111  542.816    101.453  73.433  7.2275  65.252  6.4941  8.181679       9.716493 
1 1 1 -22 -9  19 o 12.861  5.9277  -30.4989   42.889   -32.0564   59.603   -28.8265   61.764   15.619  7.1192  16.132  7.3117  -0.5127840     10.20513 
1 1 1 -22 -9  20 o 14.605  6.4176  -8.2700    43.865   -58.0191   62.285   40.689     61.788   14.688  6.8934  21.262  8.2941  -6.573965      10.78479 
1 1 1 -22 -9  21 o 48.023  5.6678  292.819    64.770   248.648    88.680   343.326    94.828   42.900  8.8140  51.058  7.9102  -8.157623      11.84309 
1 1 1 -22 -9  22 o 105.781 6.2467  1419.36    159.622  1419.36    159.622  0.0000     0.0000   105.781 6.2467  ?       ?       0.000000       6.246709 
1 1 1 -22 -9  23 o 33.703  14.407  90.282     209.060  90.282     209.060  0.0000     0.0000   33.703  14.407  ?       ?       0.000000       14.40722 
1 1 1 -22 -9  24 o 33.917  14.283  108.198    200.336  108.198    200.336  0.0000     0.0000   33.917  14.283  ?       ?       0.000000       14.28347 
1 1 1 -22 -9  25 o 32.736  10.127  148.873    88.644   62.836     206.548  168.298    98.142   32.230  14.050  34.552  10.651  -2.321991      17.63024 
1 1 1 -22 -9  26 o 25.735  6.9895  88.172     44.774   19.457     75.744   125.080    55.511   20.856  8.7828  30.464  7.5483  -9.608721      11.58078 
1 1 1 -22 -9  27 o 97.825  4.1115  1186.83    97.592   1312.60    146.467  1086.42    130.877  101.508 5.9730  92.399  5.8680  9.109749       8.373166 
1 1 1 -22 -9  28 o 17.255  6.7143  26.460     40.414   -28.2116   73.093   50.533     48.502   17.559  7.9565  20.854  7.5078  -3.295422      10.93952 
1 1 1 -22 -9  29 o 77.235  4.3281  745.327    80.782   906.939    125.736  631.726    105.418  83.967  6.2156  69.971  6.2758  13.99524       8.832904 
1 1 1 -22 -9  30 o 61.441  4.4733  474.019    66.231   465.486    103.797  479.879    86.017   59.219  7.3842  61.088  5.8756  -1.869678      9.436591 
1 1 1 -22 -9  31 o 75.838  4.3120  720.267    79.019   829.445    121.749  640.804    103.868  80.004  6.3233  70.397  6.1423  9.606621       8.815478 
1 1 1 -22 -9  32 o 39.685  5.7293  204.739    53.572   222.016    84.210   192.992    69.434   39.616  8.9691  37.458  7.8887  2.158157       11.94474 
1 1 1 -22 -9  33 f 82.337  4.2757  850.187    85.128   913.908    130.061  802.429    112.597  83.672  6.4562  78.812  5.9315  4.859070       8.767256 
1 1 1 -22 -9  34 o 61.626  4.8187  482.182    71.481   564.298    119.140  435.999    89.348   64.535  7.7642  57.546  6.5136  6.989452       10.13463 
1 1 1 -22 -9  35 o 58.053  6.3032  442.357    87.360   0.0000     0.0000   442.357    87.360   ?       ?       58.053  6.3032  0.000000       6.303185 
1 1 1 -22 -9  36 o 42.064  11.143  273.711    115.549  0.0000     0.0000   273.711    115.549  ?       ?       42.064  11.143  0.000000       11.14342 
1 1 1 -22 -9  37 o 34.689  11.079  186.102    105.270  0.0000     0.0000   186.102    105.270  ?       ?       34.689  11.079  0.000000       11.07896 
1 1 1 -22 -9  38 o 31.148  6.6959  132.038    49.100   90.664     76.114   161.525    64.257   25.969  9.3970  33.865  7.9552  -7.896679      12.31212 
1 1 1 -22 -9  39 o 44.045  18.868  520.066    359.896  267.273    566.226  691.418    466.179  38.038  18.584  45.520  20.406  -7.481853      27.60005 
1 1 1 -22 -9  40 o 55.361  4.9758  394.008    66.126   410.554    96.414   379.312    90.865   54.706  7.4578  52.679  7.3054  2.026836       10.43973 
1 1 1 -22 -9  41 o 18.197  7.0834  33.536     44.992   -27.5517   66.043   86.440     61.460   16.233  7.4349  24.917  8.4881  -8.684715      11.28384 
1 1 1 -22 -9  42 o 103.402 6.2029  1418.63    154.908  3600.53    287.778  528.477    183.811  162.342 7.3057  53.783  13.962  108.5596       15.75828 
1 1 1 -22 -9  43 o 37.407  9.0038  210.439    80.739   47.896     188.405  247.005    89.360   27.404  12.554  40.358  9.3144  -12.95412      15.63190 
1 1 1 -22 -9  44 o 17.302  7.0333  25.471     46.258   -45.0962   65.013   97.827     65.831   15.036  7.0523  25.772  8.7847  -10.73639      11.26530 
1 1 1 -22 -9  45 o 10.826  5.2440  -60.8355   42.523   -62.4118   59.612   -59.2024   60.676   13.477  6.4457  13.762  6.5601  -0.2852650     9.196855 
1 1 1 -22 -9  46 f 39.653  6.0679  215.271    56.525   279.248    80.666   153.553    79.229   43.648  7.9077  30.797  9.5821  12.85181       12.42370 
1 1 1 -22 -9  47 o 18.284  7.3742  34.172     50.413   42.830     73.201   26.360     69.529   20.687  8.6688  19.274  8.2756  1.412926       11.98475 
1 1 1 -22 -9  48 o 13.795  6.3394  -20.3632   48.566   25.807     61.773   -95.0898   78.588   18.462  7.8602  14.506  7.0506  3.955821       10.55910 
1 1 1 -22 -9  49 o 27.116  8.0680  114.460    57.011   83.121     76.961   152.571    84.870   23.591  9.2418  29.605  9.9750  -6.014439      13.59822 
1 1 1 -22 -9  50 o 14.995  6.7210  -4.2757    50.559   -50.8656   67.006   57.319     77.044   14.619  6.9472  21.512  8.9438  -6.892895      11.32499 
1 1 1 -22 -9  51 o 25.946  8.8509  109.854    66.827   116.736    76.520   87.730     137.189  26.335  9.4354  24.904  11.123  1.431076       14.58608 
1 1 1 -22 -9  52 o 24.434  8.9609  95.469     69.547   46.148     80.892   235.243    136.177  20.881  8.9449  32.648  12.422  -11.76644      15.30773 
1 1 1 -22 -9  53 o 9.5659  4.7781  -107.8223  45.613   -104.0858  58.735   -113.4997  72.401   11.644  5.7471  13.122  6.4583  -1.478036      8.645142 
1 1 1 -22 -9  54 o 15.742  6.8781  7.8025     49.757   38.393     64.315   -37.8033   78.528   19.388  8.1250  16.393  7.7087  2.994545       11.19999 
1 1 1 -22 -9  55 o 30.971  11.777  199.647    122.356  243.705    329.760  192.613    131.762  29.113  14.215  30.107  11.998  -0.9945412     18.60134 
1 1 1 -22 -9  56 o 33.599  15.982  597.551    356.230  597.551    356.230  0.0000     0.0000   33.599  15.982  ?       ?       0.000000       15.98204 
1 1 1 -22 -9  57 o 16.351  7.9721  -96.0769   102.692  -191.5945  310.021  -84.3049   108.836  22.929  11.582  17.134  8.3207  5.794899       14.26109 
1 1 1 -22 -8  1  o 37.624  4.1627  177.914    37.365   119.047    72.123   199.509    43.684   29.386  9.1421  39.714  4.6196  -10.32816      10.24301 
1 1 1 -22 -8  2  o 23.911  5.0490  74.246     28.374   60.855     47.024   81.913     35.582   22.031  7.4250  24.921  5.9640  -2.889568      9.523652 
1 1 1 -22 -8  3  o 43.054  4.0068  231.389    41.377   261.301    67.970   213.777    52.154   44.849  6.4300  40.908  5.3852  3.940609       8.387173 
1 1 1 -22 -8  4  o 23.195  7.9556  66.714     53.997   0.0000     0.0000   66.714     53.997   ?       ?       23.195  7.9556  0.000000       7.955624 
1 1 1 -22 -8  5  o 60.319  5.7277  462.078    82.824   497.361    150.310  446.695    99.251   59.464  10.816  58.597  7.1274  0.8671379      12.95328 
1 1 1 -22 -8  6  o 21.363  5.4609  59.374     28.415   64.143     35.170   50.409     48.218   22.185  6.2606  20.956  7.4919  1.229162       9.763437 
1 1 1 -22 -8  7  o 19.147  5.8284  46.530     29.504   -15.4809   37.356   149.345    48.102   12.821  5.7597  33.959  6.0599  -21.13874      8.360442 
1 1 1 -22 -8  8  o 55.594  3.9530  382.956    52.976   340.859    70.872   436.262    79.751   51.835  5.7308  58.737  5.6660  -6.902908      8.058924 
1 1 1 -22 -8  9  o 70.753  3.9439  618.779    67.437   604.833    94.215   633.430    96.569   69.279  5.6541  70.904  5.6603  -1.625221      8.000462 
1 1 1 -22 -8  10 o 13.152  5.9190  -17.2990   39.651   0.6125     57.746   -33.2778   54.542   17.469  7.5220  14.749  6.7558  2.720176       10.11045 
1 1 1 -22 -8  11 o 52.710  4.6169  346.507    58.452   382.193    83.640   312.439    81.722   54.712  6.4225  49.147  7.0553  5.565765       9.540764 
1 1 1 -22 -8  12 o 56.665  4.5910  399.826    62.580   451.108    90.202   352.237    86.893   59.547  6.3405  52.262  7.0306  7.284946       9.467350 
1 1 1 -22 -8  13 o 56.928  4.6973  403.906    64.305   423.435    93.525   386.395    88.560   57.472  6.8411  54.890  6.7945  2.581505       9.641911 
1 1 1 -22 -8  14 o 65.692  4.6857  536.848    74.198   574.647    118.591  512.533    95.114   66.762  7.4478  63.573  6.2467  3.188698       9.720654 
1 1 1 -22 -8  15 o 57.673  6.1616  422.030    84.890   436.130    105.133  395.614    143.898  57.971  7.6620  53.124  11.497  4.846535       13.81635 
1 1 1 -22 -8  16 o 59.813  6.2094  453.971    88.805   518.203    110.035  333.980    150.396  63.447  7.2794  48.063  12.704  15.38393       14.64164 
1 1 1 -22 -8  17 o 52.821  6.6229  357.245    83.016   349.845    103.502  370.593    139.003  51.377  8.6071  51.376  11.444  0.4501343E-03  14.31941 
1 1 1 -22 -8  18 o 48.287  5.0373  292.634    58.151   350.978    82.255   234.339    82.220   52.336  6.6257  41.938  8.3732  10.39844       10.67754 
1 1 1 -22 -8  19 o 49.155  5.0747  303.416    59.655   374.603    86.239   238.097    82.607   54.031  6.7235  42.268  8.3508  11.76303       10.72104 
1 1 1 -22 -8  20 o 13.187  6.0557  -29.3477   44.211   -50.8938   63.618   -9.2229    61.484   15.247  7.0936  17.313  7.6029  -2.065492      10.39827 
1 1 1 -22 -8  21 o 74.293  6.5897  704.051    117.557  704.051    117.557  0.0000     0.0000   74.293  6.5897  ?       ?       0.000000       6.589733 
1 1 1 -22 -8  22 o 58.898  7.2935  449.967    102.003  449.967    102.003  0.0000     0.0000   58.898  7.2935  ?       ?       0.000000       7.293497 
1 1 1 -22 -8  23 o 36.682  15.187  149.073    220.798  149.073    220.798  0.0000     0.0000   36.682  15.187  ?       ?       0.000000       15.18681 
1 1 1 -22 -8  24 o 33.153  10.720  151.592    98.323   36.151     210.474  183.818    111.203  31.696  13.988  36.029  11.374  -4.333055      18.02839 
1 1 1 -22 -8  25 o 66.891  6.8005  577.406    108.841  749.156    248.542  536.654    121.067  68.872  15.273  63.751  8.0030  5.120537       17.24290 
1 1 1 -22 -8  26 o 22.086  7.1403  62.089     43.625   51.429     76.935   67.141     52.963   23.379  9.2148  23.187  7.8796  0.1927071      12.12443 
1 1 1 -22 -8  27 o 48.246  5.2140  295.341    60.067   408.250    95.247   220.782    77.399   55.798  7.2033  40.355  8.1844  15.44258       10.90284 
1 1 1 -22 -8  28 o 29.759  7.0631  118.850    50.237   188.342    83.730   79.764     62.795   36.601  9.3838  24.988  8.5788  11.61384       12.71423 
1 1 1 -22 -8  29 o 26.576  7.2524  95.190     48.071   103.914    81.264   90.494     59.621   28.012  9.7510  26.036  8.3400  1.976263       12.83117 
1 1 1 -22 -8  30 o 26.858  7.2392  97.597     48.246   96.269     82.980   98.274     59.299   27.283  9.8204  26.892  8.2771  0.3913345      12.84328 
1 1 1 -22 -8  31 o 53.538  4.8857  363.306    62.768   436.188    99.896   315.761    80.685   57.242  7.3631  48.797  7.0163  8.444626       10.17072 
1 1 1 -22 -8  32 o 69.152  4.4324  600.911    73.980   685.646    112.025  535.376    98.519   72.545  6.4308  64.055  6.4253  8.490166       9.090702 
1 1 1 -22 -8  33 o 56.909  4.7183  410.188    64.565   549.108    100.910  313.896    84.013   64.733  6.5130  48.268  7.4102  16.46563       9.865605 
1 1 1 -22 -8  34 o 16.691  7.1938  4.0016     52.922   0.0000     0.0000   4.0016     52.922   ?       ?       16.691  7.1938  0.000000       7.193805 
1 1 1 -22 -8  35 o 59.281  10.326  515.254    143.134  0.0000     0.0000   515.254    143.134  ?       ?       59.281  10.326  0.000000       10.32625 
1 1 1 -22 -8  36 o 11.507  5.7235  -143.5947  62.634   0.0000     0.0000   -143.5947  62.634   ?       ?       11.507  5.7235  0.000000       5.723532 
1 1 1 -22 -8  37 f 14.384  6.7228  -44.8064   58.197   20.692     81.528   -112.8579  83.101   20.972  8.9819  15.129  7.3289  5.843626       11.59257 
1 1 1 -22 -8  38 o 59.048  4.2390  439.898    60.330   456.916    84.254   421.993    86.426   59.111  5.9555  56.463  6.4226  2.647926       8.758843 
1 1 1 -22 -8  39 o 45.018  5.4722  263.886    58.545   218.689    82.519   309.692    83.073   38.813  8.9458  47.534  7.4472  -8.721138      11.63992 
1 1 1 -22 -8  40 o 60.357  4.8659  466.720    70.656   519.659    101.005  415.990    98.874   62.198  6.8036  54.935  7.6232  7.263371       10.21776 
1 1 1 -22 -8  41 o 9.5310  4.7959  -145.8264  50.349   -261.8854  150.234  -131.1416  53.440   18.069  8.9667  10.383  5.1839  7.686020       10.35738 
1 1 1 -22 -8  42 o 12.571  6.0722  -75.3532   56.076   -35.1984   161.796  -80.8353   59.782   23.933  11.194  12.920  6.2481  11.01356       12.81936 
1 1 1 -22 -8  43 f 21.559  8.6530  50.413     69.048   245.934    177.145  15.386     74.978   35.396  13.973  19.532  8.4902  15.86404       16.34987 
1 1 1 -22 -8  44 o 18.848  7.2072  40.720     45.980   -6.4472    67.078   82.526     63.150   17.291  7.7465  24.125  8.5793  -6.834091      11.55908 
1 1 1 -22 -8  45 o 42.288  5.9430  242.139    59.298   257.460    82.871   226.065    84.884   41.496  8.5160  38.103  9.2698  3.393623       12.58778 
1 1 1 -22 -8  46 o 12.917  6.0169  -30.2391   45.993   47.801     69.414   -91.3162   61.408   20.950  8.5772  12.593  6.1455  8.356800       10.55153 
1 1 1 -22 -8  47 o 25.276  7.8434  95.941     53.126   162.945    78.548   39.447     72.125   31.532  9.4902  20.360  8.5721  11.17111       12.78845 
1 1 1 -22 -8  48 o 18.514  7.6387  33.211     55.585   120.511    75.663   -69.1446   81.928   27.124  9.4109  15.717  7.5274  11.40697       12.05096 
1 1 1 -22 -8  49 o 20.373  8.0187  53.234     58.183   0.9295     78.436   117.225    86.757   18.264  8.2623  26.403  9.9464  -8.139320      12.93048 
1 1 1 -22 -8  50 o 13.971  6.4557  -22.5923   51.357   7.9842     64.967   -73.5341   83.856   17.379  7.7151  15.630  7.5192  1.749043       10.77313 
1 1 1 -22 -8  51 f 26.540  8.9418  115.733    68.198   147.899    78.027   11.644     140.362  29.334  9.5542  22.271  10.419  7.062729       14.13662 
1 1 1 -22 -8  52 o 22.049  8.7153  68.646     69.004   102.186    79.995   -28.8676   136.400  25.021  9.5208  20.858  9.9123  4.162214       13.74410 
1 1 1 -22 -8  53 o 24.109  8.1995  90.171     57.350   105.148    71.658   63.483     95.655   25.417  9.1282  22.668  9.7191  2.749092       13.33359 
1 1 1 -22 -8  54 o 19.207  7.8203  41.769     57.302   69.627     74.656   1.8237     89.397   22.323  8.9842  19.083  8.7059  3.240484       12.51034 
1 1 1 -22 -8  55 o 25.517  10.820  109.186    116.228  44.996     316.077  119.223    124.985  26.408  13.088  26.102  11.148  0.3066692      17.19256 
1 1 1 -22 -8  56 o 27.806  11.543  158.540    128.066  0.0000     0.0000   158.540    128.066  ?       ?       27.806  11.543  0.000000       11.54339 
1 1 1 -22 -8  57 o 26.513  11.002  141.459    116.278  480.180    299.580  81.380     126.169  31.887  15.013  23.554  10.583  8.332493       18.36869 
1 1 1 -22 -7  1  o 56.040  3.6644  389.415    49.553   298.655    79.103   448.035    63.573   47.644  7.0558  59.847  4.4090  -12.20213      8.320074 
1 1 1 -22 -7  2  o 26.944  6.0880  95.579     38.864   81.000     52.041   113.963    58.438   24.826  7.7727  28.992  8.0310  -4.166685      11.17646 
1 1 1 -22 -7  3  o 54.965  3.9726  375.385    52.625   347.022    65.216   428.327    89.100   52.396  5.1982  57.658  6.4811  -5.261150      8.308235 
1 1 1 -22 -7  4  o 50.663  6.1684  329.238    74.263   155.428    144.064  392.138    86.665   34.317  12.839  55.138  6.6096  -20.82149      14.44013 
1 1 1 -22 -7  5  o 59.430  7.0452  457.276    99.615   0.0000     0.0000   457.276    99.615   ?       ?       59.430  7.0452  0.000000       7.045168 
1 1 1 -22 -7  6  o 39.930  4.2659  199.289    40.691   167.370    53.335   243.744    62.943   35.907  6.3541  43.587  6.1202  -7.679646      8.822189 
1 1 1 -22 -7  7  o 51.960  4.0260  334.901    50.362   335.431    67.089   334.217    76.229   51.541  5.4472  51.126  6.2768  0.4147911      8.310823 
1 1 1 -22 -7  8  o 71.671  4.0640  635.352    70.383   653.343    101.354  618.595    97.814   71.953  5.8562  70.023  5.8094  1.929443       8.248915 
1 1 1 -22 -7  9  o 45.333  4.9622  258.057    53.691   281.088    76.866   236.114    75.027   46.596  7.0163  42.417  7.5673  4.178253       10.31949 
1 1 1 -22 -7  10 o 30.102  6.7033  118.724    47.704   105.030    70.577   130.243    64.729   28.388  9.0720  31.197  8.3751  -2.809612      12.34681 
1 1 1 -22 -7  11 o 25.457  6.9598  84.827     44.222   50.643     63.626   116.772    61.507   22.445  8.5030  29.632  8.2502  -7.186728      11.84768 
1 1 1 -22 -7  12 f 26.465  7.0653  91.931     46.220   130.293    65.397   53.643     65.334   31.230  8.4327  22.888  8.6295  8.341686       12.06559 
1 1 1 -22 -7  13 o 28.934  6.9643  110.007    48.304   139.626    67.932   79.716     68.698   32.294  8.5390  25.701  8.9644  6.593382       12.38045 
1 1 1 -22 -7  14 o 38.776  5.8578  191.814    53.396   237.496    77.331   150.187    73.819   42.535  7.7795  33.411  8.9331  9.124496       11.84570 
1 1 1 -22 -7  15 o 32.984  8.7255  146.001    70.910   221.058    85.890   -14.6771   125.668  40.552  8.9671  24.332  10.769  16.22013       14.01394 
1 1 1 -22 -7  16 o 41.746  8.0070  229.947    78.154   298.257    95.057   87.441     137.298  47.435  8.5746  30.493  12.215  16.94173       14.92401 
1 1 1 -22 -7  17 o 20.062  8.1849  24.524     62.932   63.129     75.356   -64.4692   114.413  24.566  9.2664  21.105  9.7105  3.460621       13.42232 
1 1 1 -22 -7  18 o 21.249  7.5074  51.844     48.281   -5.8734    70.508   102.799    66.249   18.798  8.2013  28.052  8.7677  -9.253916      12.00557 
1 1 1 -22 -7  19 o 45.202  5.4117  258.040    58.175   333.750    84.837   190.838    79.928   50.848  7.0672  37.592  8.9004  13.25613       11.36497 
1 1 1 -22 -7  20 o 47.159  9.2998  300.362    102.634  300.362    102.634  0.0000     0.0000   47.159  9.2998  ?       ?       0.000000       9.299788 
1 1 1 -22 -7  21 o 76.720  7.0978  755.321    130.632  755.321    130.632  0.0000     0.0000   76.720  7.0978  ?       ?       0.000000       7.097838 
1 1 1 -22 -7  22 o 59.245  8.0701  460.907    112.992  460.907    112.992  0.0000     0.0000   59.245  8.0701  ?       ?       0.000000       8.070105 
1 1 1 -22 -7  23 o 51.346  10.205  364.470    122.661  361.181    236.615  365.679    143.440  47.315  16.629  50.363  11.923  -3.048328      20.46185 
1 1 1 -22 -7  24 o 61.526  6.9563  489.115    102.024  606.132    250.660  465.880    111.695  60.710  16.558  59.501  7.9343  1.208694       18.36110 
1 1 1 -22 -7  25 o 54.674  7.3542  390.987    95.087   486.385    247.638  374.489    102.982  53.413  16.985  52.997  8.2791  0.4154510      18.89564 
1 1 1 -22 -7  26 o 64.693  4.6745  523.797    72.882   618.291    124.815  474.908    89.778   68.660  7.6205  60.901  6.1602  7.759716       9.799026 
1 1 1 -22 -7  27 o 14.145  6.2961  -12.5475   43.549   -33.2143   91.324   -6.4648    49.545   19.574  8.8793  15.596  6.8376  3.977825       11.20692 
1 1 1 -22 -7  28 o 49.758  5.3199  314.899    63.233   469.884    110.888  240.216    76.975   59.411  7.8873  42.278  7.7906  17.13245       11.08615 
1 1 1 -22 -7  29 o 36.737  6.8021  178.932    58.400   406.668    105.105  77.223     70.240   54.965  8.1258  25.030  9.0318  29.93463       12.14915 
1 1 1 -22 -7  30 o 55.477  5.0393  390.230    67.093   495.578    113.523  333.680    83.174   60.812  7.8788  50.270  7.0096  10.54191       10.54565 
1 1 1 -22 -7  31 o 51.047  5.1428  331.997    62.832   281.727    110.041  356.315    76.535   43.871  10.481  52.389  6.1371  -8.518295      12.14551 
1 1 1 -22 -7  32 o 23.429  7.7398  71.945     51.138   123.444    96.878   52.053     60.210   29.843  10.625  21.766  8.2653  8.077080       13.46105 
1 1 1 -22 -7  33 o 37.336  7.8789  192.207    69.134   0.0000     0.0000   192.207    69.134   ?       ?       37.336  7.8789  0.000000       7.878929 
1 1 1 -22 -7  34 o 79.022  5.8674  806.798    111.698  0.0000     0.0000   806.798    111.698  ?       ?       79.022  5.8674  0.000000       5.867424 
1 1 1 -22 -7  35 o 29.497  10.827  121.692    101.556  0.0000     0.0000   121.692    101.556  ?       ?       29.497  10.827  0.000000       10.82675 
1 1 1 -22 -7  36 o 20.473  8.1774  38.794     61.340   -16.8393   85.899   96.680     87.621   19.332  8.7050  27.021  10.032  -7.689089      13.28197 
1 1 1 -22 -7  37 o 27.283  6.5758  101.191    43.020   110.834    58.708   90.008     63.222   28.061  8.1436  25.636  8.6096  2.425844       11.85088 
1 1 1 -22 -7  38 o 52.861  4.9537  357.922    62.797   325.853    90.096   388.221    87.575   48.520  7.9266  53.829  6.8611  -5.309170      10.48356 
1 1 1 -22 -7  39 o 82.570  4.3559  861.206    86.962   820.571    122.669  902.260    123.298  78.744  6.4777  82.901  6.1738  -4.156670      8.948574 
1 1 1 -22 -7  40 o 60.426  4.7958  467.158    69.737   403.476    101.064  525.038    96.351   53.779  7.9876  62.850  6.4077  -9.070698      10.24012 
1 1 1 -22 -7  41 o 34.793  9.2236  181.108    79.129   287.205    183.247  156.790    87.730   38.532  14.467  31.898  10.106  6.633846       17.64747 
1 1 1 -22 -7  42 o 11.199  5.5416  -114.4924  55.865   189.423    160.929  -156.1342  59.569   33.033  13.227  10.653  5.3415  22.38026       14.26503 
1 1 1 -22 -7  43 o 63.318  4.8366  517.916    73.746   521.314    105.392  514.656    103.226  61.337  7.2197  61.062  7.0997  0.2746315      10.12566 
1 1 1 -22 -7  44 o 36.637  6.6142  185.946    56.634   248.618    84.438   134.696    76.356   40.668  8.8116  29.394  9.4406  11.27368       12.91393 
1 1 1 -22 -7  45 o 33.853  6.9990  162.774    55.592   195.503    81.603   134.429    75.941   35.195  9.3841  29.157  9.4202  6.037722       13.29666 
1 1 1 -22 -7  46 o 16.045  6.6828  17.799     43.122   -129.9759  70.279   107.029    54.611   12.609  6.2351  26.735  7.8819  -14.12646      10.04993 
1 1 1 -22 -7  47 f 26.229  7.4958  102.434    50.089   167.236    73.847   47.217     68.167   32.320  9.0548  20.656  8.4833  11.66406       12.40788 
1 1 1 -22 -7  48 o 38.485  7.2056  215.769    64.812   207.706    83.991   227.637    101.900  35.387  9.5572  35.493  10.838  -0.1060982     14.44979 
1 1 1 -22 -7  49 o 19.209  7.8274  40.803     57.468   0.8422     72.378   108.969    94.531   17.716  7.9826  25.723  10.190  -8.006914      12.94465 
1 1 1 -22 -7  50 o 22.394  8.7016  72.489     67.801   122.218    75.479   -135.3202  154.296  26.985  9.3973  19.369  9.5120  7.616135       13.37113 
1 1 1 -22 -7  51 o 39.766  8.5359  248.768    79.899   195.100    90.246   443.375    171.851  33.061  10.217  43.083  14.186  -10.02232      17.48235 
1 1 1 -22 -7  52 o 17.217  7.3856  19.294     55.283   49.947     68.591   -37.5345   93.393   20.551  8.4829  17.774  8.3730  2.777243       11.91912 
1 1 1 -22 -7  53 o 18.200  7.5371  32.182     54.407   82.105     68.168   -55.4341   90.306   23.286  8.8061  16.882  8.0352  6.403309       11.92109 
1 1 1 -22 -7  54 o 33.247  12.253  236.157    130.264  64.269     319.754  270.360    142.637  26.980  13.334  34.665  12.813  -7.685186      18.49228 
1 1 1 -22 -7  55 o 20.106  9.4324  -13.9261   116.396  -187.6363  308.715  14.860     125.670  23.704  11.921  21.593  10.020  2.110968       15.57255 
1 1 1 -22 -7  56 o 29.362  11.541  182.612    120.359  336.976    329.031  158.766    129.322  29.565  14.383  27.676  11.554  1.889084       18.44865 
1 1 1 -22 -6  1  o 43.161  6.1341  240.744    62.433   247.142    105.328  237.279    77.519   41.593  10.450  42.050  7.8874  -0.4566498     13.09235 
1 1 1 -22 -6  2  o 19.726  5.0257  50.475     24.123   34.719     31.992   71.239     36.725   17.409  6.1149  23.281  6.3331  -5.872030      8.803440 
1 1 1 -22 -6  3  o 27.677  7.4056  102.240    50.710   7.6067     99.295   135.629    58.981   22.626  9.8026  31.769  7.7259  -9.143087      12.48123 
1 1 1 -22 -6  4  o 63.701  5.7998  514.193    88.663   548.427    165.198  500.343    105.079  62.363  11.335  62.190  7.0904  0.1732025      13.36980 
1 1 1 -22 -6  5  o 23.560  5.2250  71.848     29.087   83.787     38.264   55.503     44.768   25.279  6.2690  21.376  7.2446  3.903183       9.580365 
1 1 1 -22 -6  6  o 10.622  4.8623  -18.4443   28.186   -51.8224   33.295   65.992     52.955   9.6728  4.6740  23.206  7.8791  -13.53272      9.161136 
1 1 1 -22 -6  7  o 17.425  6.2135  33.485     33.146   21.970     39.282   61.954     61.763   16.741  6.5890  23.370  8.4636  -6.628601      10.72600 
1 1 1 -22 -6  8  o 35.678  5.6344  162.563    47.157   119.153    65.304   209.867    68.170   29.891  8.5642  40.062  7.2811  -10.17080      11.24100 
1 1 1 -22 -6  9  o 44.657  4.8623  249.911    51.834   260.112    72.886   239.472    73.731   44.874  6.9162  42.857  7.3552  2.017548       10.09619 
1 1 1 -22 -6  10 o 63.677  4.1911  501.760    64.393   498.919    91.666   504.527    90.477   62.823  6.0899  63.228  5.9680  -0.4048424     8.526694 
1 1 1 -22 -6  11 o 57.175  4.4652  405.907    61.455   347.769    86.429   465.359    87.400   52.009  7.0289  60.702  6.0131  -8.693420      9.250028 
1 1 1 -22 -6  12 f 61.020  4.7531  463.246    69.819   558.819    111.675  401.916    89.459   66.114  7.0711  56.117  6.7026  9.997223       9.742947 
1 1 1 -22 -6  13 o 34.596  7.0698  156.419    57.342   119.860    90.502   180.939    74.118   30.559  10.301  36.822  8.4718  -6.263086      13.33704 
1 1 1 -22 -6  14 o 113.283 5.8909  1607.53    161.365  1665.81    208.225  1519.92    255.319  114.177 7.5588  107.107 9.9375  7.070900       12.48557 
1 1 1 -22 -6  15 o 34.895  9.5156  164.697    82.789   94.927     105.714  275.360    133.137  29.199  10.983  44.130  12.081  -14.93114      16.32718 
1 1 1 -22 -6  16 o 76.064  6.3836  731.444    116.728  790.551    149.762  639.960    186.318  78.224  8.0031  68.024  11.711  10.20018       14.18430 
1 1 1 -22 -6  17 o 60.619  4.8776  457.947    71.136   489.996    105.793  431.497    96.107   61.794  7.1902  58.044  6.9629  3.750427       10.00909 
1 1 1 -22 -6  18 o 55.891  5.1740  391.181    69.371   478.884    104.584  322.279    92.699   61.055  7.1979  49.623  7.9685  11.43188       10.73808 
1 1 1 -22 -6  19 o 33.864  10.365  155.597    93.136   155.597    93.136   0.0000     0.0000   33.864  10.365  ?       ?       0.000000       10.36493 
1 1 1 -22 -6  20 o 39.629  10.407  217.562    101.359  217.562    101.359  0.0000     0.0000   39.629  10.407  ?       ?       0.000000       10.40734 
1 1 1 -22 -6  21 o 26.499  10.364  68.577     96.676   68.577     96.676   0.0000     0.0000   26.499  10.364  ?       ?       0.000000       10.36443 
1 1 1 -22 -6  22 o 17.885  8.4257  -87.5986   94.590   21.779     217.685  -113.0577  105.023  31.975  14.162  18.232  8.6742  13.74285       16.60744 
1 1 1 -22 -6  23 o 24.943  8.4019  78.080     60.211   32.966     202.514  82.454     63.062   31.397  13.793  25.558  8.5986  5.839146       16.25364 
1 1 1 -22 -6  24 f 66.247  6.8771  565.221    108.932  865.723    256.974  499.395    120.273  75.505  14.554  61.451  8.2769  14.05447       16.74304 
1 1 1 -22 -6  25 o 37.626  6.0131  182.785    53.049   211.745    101.804  171.990    62.155   38.652  10.557  35.971  7.3691  2.680683       12.87442 
1 1 1 -22 -6  26 o 24.528  7.4541  79.044     48.288   57.235     102.864  85.209     54.689   25.828  10.492  25.458  7.9675  0.3692932      13.17470 
1 1 1 -22 -6  27 o 42.846  5.5094  234.644    55.950   180.413    105.422  255.908    66.014   35.467  11.056  44.445  6.2976  -8.977936      12.72384 
1 1 1 -22 -6  28 o 46.085  5.3002  270.449    58.189   234.914    106.623  285.522    69.442   40.254  10.724  46.951  6.2508  -6.697037      12.41246 
1 1 1 -22 -6  29 o 40.817  6.1707  216.891    59.206   345.683    108.609  162.435    70.622   49.853  9.3213  34.247  8.5305  15.60546       12.63553 
1 1 1 -22 -6  30 f 38.574  6.0986  194.268    55.183   173.106    105.755  202.186    64.688   34.405  11.117  38.902  7.1153  -4.497646      13.19881 
1 1 1 -22 -6  31 o 57.770  5.0422  423.674    69.970   548.692    121.048  360.942    85.746   63.810  7.9935  52.277  6.9307  11.53302       10.57976 
1 1 1 -22 -6  32 o 18.581  7.5128  26.327     52.468   0.0000     0.0000   26.327     52.468   ?       ?       18.581  7.5128  0.000000       7.512807 
1 1 1 -22 -6  33 o 15.912  6.9388  -1.9039    50.416   0.0000     0.0000   -1.9039    50.416   ?       ?       15.912  6.9388  0.000000       6.938791 
1 1 1 -22 -6  34 o 52.851  11.046  419.462    137.085  0.0000     0.0000   419.462    137.085  ?       ?       52.851  11.046  0.000000       11.04572 
1 1 1 -22 -6  35 o 69.972  6.4082  641.986    107.591  722.324    143.234  537.967    162.984  72.505  8.2908  59.131  11.773  13.37313       14.39966 
1 1 1 -22 -6  36 o 26.416  7.5421  96.429     50.734   120.758    58.684   24.443     100.945  29.328  8.0172  22.907  9.9040  6.421234       12.74224 
1 1 1 -22 -6  37 o 30.470  6.1695  124.323    44.048   64.798     61.453   187.217    63.168   22.905  8.4198  36.964  7.3020  -14.05908      11.14504 
1 1 1 -22 -6  38 o 10.897  5.2411  -55.0087   40.672   -102.1475  64.294   -23.5606   52.515   12.943  6.3100  14.664  6.6832  -1.721007      9.191352 
1 1 1 -22 -6  39 o 32.148  6.8406  141.474    51.719   110.471    81.219   162.621    67.077   27.829  9.7449  33.739  8.2601  -5.909376      12.77471 
1 1 1 -22 -6  40 o 50.907  5.0956  334.629    62.096   320.352    90.319   347.427    85.511   47.743  8.0852  50.452  7.1885  -2.708851      10.81871 
1 1 1 -22 -6  41 o 62.186  7.0857  526.895    105.005  466.830    216.606  545.347    120.056  46.996  15.935  62.228  8.1468  -15.23202      17.89703 
1 1 1 -22 -6  42 o 49.574  7.9663  348.488    92.578   483.121    202.753  313.026    104.059  48.365  15.368  45.332  9.7500  3.033627       18.19993 
1 1 1 -22 -6  43 o 13.354  6.1258  -22.5329   45.071   35.502     67.459   -69.3264   60.574   20.216  8.3840  13.417  6.4382  6.799215       10.57083 
1 1 1 -22 -6  44 o 16.867  6.9773  20.900     46.549   70.857     70.956   -16.8423   61.674   23.191  8.9321  16.017  7.2778  7.173819       11.52165 
1 1 1 -22 -6  45 o 35.174  6.7676  174.057    55.662   213.758    80.203   137.165    77.313   37.196  8.9869  29.337  9.5077  7.858709       13.08285 
1 1 1 -22 -6  46 f 20.934  7.5503  59.612     49.079   73.846     77.566   50.109     63.379   23.337  9.2353  20.712  8.2983  2.625725       12.41578 
1 1 1 -22 -6  47 f 29.049  8.1636  129.819    59.930   156.423    75.741   85.274     98.007   30.948  9.3201  24.553  10.138  6.395733       13.77084 
1 1 1 -22 -6  48 o 14.815  6.8243  -21.6469   56.734   -28.2978   74.835   -12.6580   87.000   16.569  7.7035  18.411  8.4696  -1.841944      11.44890 
1 1 1 -22 -6  49 o 28.288  8.4157  127.133    62.034   68.336     79.506   218.622    99.176   22.491  9.1905  34.622  10.712  -12.13154      14.11441 
1 1 1 -22 -6  50 o 13.820  6.5703  -49.4164   60.043   -33.5849   65.682   -129.9345  148.126  15.230  7.1257  19.129  9.3791  -3.899153      11.77892 
1 1 1 -22 -6  51 o 18.648  8.1450  21.518     69.722   15.416     78.120   45.407     154.571  18.942  8.4318  23.933  11.109  -4.991558      13.94620 
1 1 1 -22 -6  52 o 15.131  6.8632  -10.2256   54.548   -49.2561   67.657   62.265     92.205   14.778  7.0106  22.504  9.5926  -7.725969      11.88138 
1 1 1 -22 -6  53 o 15.595  6.9846  -2.8409    54.487   -26.7094   65.828   49.093     97.100   15.585  7.2390  21.978  9.6055  -6.393702      12.02786 
1 1 1 -22 -6  54 o 34.421  15.976  509.259    319.657  509.259    319.657  0.0000     0.0000   34.421  15.976  ?       ?       0.000000       15.97598 
1 1 1 -22 -6  55 o 37.467  12.272  297.872    128.672  482.005    334.954  265.996    139.365  32.590  15.501  34.107  12.654  -1.517136      20.00969 
1 1 1 -22 -6  56 o 28.942  11.725  183.524    128.072  356.795    328.682  152.507    139.063  29.579  14.386  27.045  11.659  2.533190       18.51750 
1 1 1 -22 -5  1  o 34.488  3.9451  148.807    32.420   114.481    44.015   189.516    47.933   29.500  6.3380  38.566  5.2594  -9.066399      8.236013 
1 1 1 -22 -5  2  o 59.015  5.5529  440.895    78.579   457.540    137.308  432.788    95.821   57.480  10.219  57.789  6.9748  -0.3087349     12.37277 
1 1 1 -22 -5  3  o 55.646  5.7650  392.972    76.709   300.299    136.279  435.952    92.808   45.378  12.140  58.211  6.6926  -12.83263      13.86220 
1 1 1 -22 -5  4  o 30.680  6.2554  122.749    44.988   104.948    127.533  125.279    48.079   30.715  11.934  30.899  6.6125  -0.1847706     13.64374 
1 1 1 -22 -5  5  o 63.451  3.6804  496.668    56.420   471.417    80.511   521.034    79.088   61.199  5.4799  64.515  5.0937  -3.316292      7.481596 
1 1 1 -22 -5  6  o 65.889  3.7172  535.353    59.186   544.308    84.262   526.632    83.152   65.892  5.3155  64.799  5.3361  1.093475       7.531800 
1 1 1 -22 -5  7  o 49.970  4.7226  311.795    56.582   323.208    76.752   298.209    83.741   50.292  6.4374  47.878  7.4507  2.414314       9.846449 
1 1 1 -22 -5  8  o 18.246  7.0473  29.276     44.268   25.098     57.678   35.266     69.057   19.489  7.8780  21.629  8.6633  -2.140625      11.70968 
1 1 1 -22 -5  9  o 38.118  5.7327  185.022    51.380   186.027    74.630   184.116    70.842   37.336  8.4366  37.259  8.0695  0.7676697E-01  11.67448 
1 1 1 -22 -5  10 o 74.819  4.2014  691.566    75.964   651.152    110.811  727.397    104.339  71.732  6.4350  76.180  5.6857  -4.448753      8.587001 
1 1 1 -22 -5  11 o 28.521  7.3059  106.983    50.785   72.883     77.122   133.090    67.481   25.630  9.4307  31.602  8.5798  -5.972366      12.74954 
1 1 1 -22 -5  12 o 21.047  7.5600  49.096     49.153   -28.1422   74.107   109.765    65.679   18.018  8.1018  28.918  8.6723  -10.90029      11.86791 
1 1 1 -22 -5  13 o 59.886  4.6866  445.629    67.556   438.991    99.836   451.236    91.752   58.525  7.1811  59.650  6.4416  -1.125118      9.646887 
1 1 1 -22 -5  14 o 56.374  7.4406  409.287    99.290   485.480    126.711  288.080    159.817  60.791  8.8502  44.751  13.552  16.03981       16.18603 
1 1 1 -22 -5  15 o 18.159  8.2084  -33.3767   77.240   -38.6819   98.539   -24.9225   124.392  20.523  9.2745  23.837  10.623  -3.314186      14.10209 
1 1 1 -22 -5  16 o 30.192  9.8593  118.184    83.069   203.108    105.936  -17.4044   133.856  38.402  10.876  25.021  11.093  13.38021       15.53471 
1 1 1 -22 -5  17 o 77.850  4.4698  750.332    84.080   812.183    125.205  699.530    113.472  80.134  6.4952  74.405  6.3459  5.729454       9.080668 
1 1 1 -22 -5  18 o 34.834  10.039  164.910    89.500   164.910    89.500   0.0000     0.0000   34.834  10.039  ?       ?       0.000000       10.03934 
1 1 1 -22 -5  19 o 16.338  7.9110  -144.1604  96.564   -144.1604  96.564   0.0000     0.0000   16.338  7.9110  ?       ?       0.000000       7.910999 
1 1 1 -22 -5  20 o 54.623  8.5422  393.841    109.508  393.841    109.508  0.0000     0.0000   54.623  8.5422  ?       ?       0.000000       8.542247 
1 1 1 -22 -5  21 f 70.354  5.9876  625.350    101.241  578.244    120.278  739.840    187.514  66.865  7.5455  73.500  10.840  -6.635551      13.20736 
1 1 1 -22 -5  22 o 62.043  6.8989  494.426    102.098  879.000    217.658  385.937    115.606  79.372  11.648  53.577  9.2257  25.79532       14.85923 
1 1 1 -22 -5  23 o 28.471  8.8376  107.488    67.441   247.364    217.683  92.637     70.931   41.399  15.717  26.977  9.1190  14.42187       18.17088 
1 1 1 -22 -5  24 o 59.754  6.8446  460.408    97.448   527.958    249.584  448.258    105.850  56.251  16.914  58.542  7.6334  -2.290909      18.55645 
1 1 1 -22 -5  25 o 59.756  4.7500  447.060    68.303   467.877    117.781  436.512    83.841   59.275  8.4264  58.515  5.9894  0.7590828      10.33820 
1 1 1 -22 -5  26 o 24.484  7.4296  78.759     47.998   73.358     98.556   80.438     54.955   26.637  10.452  24.883  8.0109  1.754213       13.16857 
1 1 1 -22 -5  27 o 81.852  4.4377  835.529    87.807   818.682    141.227  846.146    112.109  79.116  7.4444  81.664  5.6934  -2.547958      9.371984 
1 1 1 -22 -5  28 o 13.436  6.0485  -16.8061   41.437   -24.9134   95.149   -14.9086   46.032   20.337  9.1590  14.385  6.4327  5.952054       11.19232 
1 1 1 -22 -5  29 f 85.805  4.4838  920.932    93.029   1187.69    147.365  744.188    119.951  96.056  6.3587  75.792  6.5881  20.26413       9.156205 
1 1 1 -22 -5  30 o 58.971  5.0810  440.941    71.993   593.116    123.229  362.087    88.706   66.667  7.7633  52.289  7.1812  14.37761       10.57539 
1 1 1 -22 -5  31 o 67.996  5.9141  595.187    96.602   0.0000     0.0000   595.187    96.602   ?       ?       67.996  5.9141  0.000000       5.914055 
1 1 1 -22 -5  32 o 78.264  5.8325  787.879    109.965  0.0000     0.0000   787.879    109.965  ?       ?       78.264  5.8325  0.000000       5.832546 
1 1 1 -22 -5  33 o 65.072  6.0086  548.852    93.799   0.0000     0.0000   548.852    93.799   ?       ?       65.072  6.0086  0.000000       6.008624 
1 1 1 -22 -5  34 o 62.799  6.7190  520.684    100.793  557.870    135.172  474.113    151.270  63.016  9.1043  55.764  11.559  7.252499       14.71421 
1 1 1 -22 -5  35 o 20.684  7.6163  50.001     50.315   13.827     58.768   149.314    97.375   18.172  7.6990  31.772  10.685  -13.59939      13.16961 
1 1 1 -22 -5  36 o 36.943  6.8301  184.131    58.969   172.788    69.012   214.818    113.515  35.001  8.2593  37.059  11.459  -2.057995      14.12568 
1 1 1 -22 -5  37 f 44.872  5.5605  261.811    59.245   378.416    90.447   174.183    78.407   52.936  7.2308  34.566  9.1900  18.36996       11.69359 
1 1 1 -22 -5  38 o 30.293  7.0971  126.538    51.253   75.623     76.398   168.208    69.114   24.621  9.3198  34.333  8.3717  -9.712185      12.52774 
1 1 1 -22 -5  39 o 12.286  5.7231  -32.1577   41.623   -87.2460   65.369   5.4073     53.980   13.584  6.5604  16.802  7.2536  -3.217984      9.780216 
1 1 1 -22 -5  40 f 35.427  8.7643  183.466    74.925   175.184    181.742  185.161    82.238   33.050  13.738  35.139  9.4430  -2.089378      16.67074 
1 1 1 -22 -5  41 o 42.667  8.2412  260.538    82.231   374.616    192.521  235.081    90.944   43.010  15.007  39.390  9.6024  3.620529       17.81586 
1 1 1 -22 -5  42 o 20.183  8.0722  41.575     59.859   -96.0454   170.215  60.997     63.944   22.653  10.849  22.227  8.4992  0.4252415      13.78217 
1 1 1 -22 -5  43 o 16.784  6.8364  22.774     43.813   -37.1980   69.405   62.506     56.492   15.983  7.4271  21.874  8.0679  -5.890924      10.96598 
1 1 1 -22 -5  44 o 19.125  7.2094  43.940     45.595   10.250     70.406   68.276     59.838   18.586  8.1497  22.478  8.3009  -3.892120      11.63280 
1 1 1 -22 -5  45 o 32.815  7.2111  155.068    55.848   130.642    83.568   174.782    75.076   28.455  9.8892  33.415  9.0405  -4.960005      13.39882 
1 1 1 -22 -5  46 o 28.185  7.5182  117.766    52.364   223.203    77.797   30.434     70.803   38.124  8.6132  19.689  8.3997  18.43482       12.03087 
1 1 1 -22 -5  47 o 20.314  8.0791  50.002     59.635   -56.8695   76.345   217.265    95.510   15.601  7.4144  35.333  10.425  -19.73200      12.79316 
1 1 1 -22 -5  48 o 17.145  7.4535  13.652     57.799   35.463     76.246   -15.8145   88.622   20.143  8.6581  18.384  8.4899  1.759474       12.12599 
1 1 1 -22 -5  49 o 16.160  7.1375  4.7056     54.914   25.567     70.070   -28.5049   88.410   18.982  8.2293  17.757  8.2948  1.225210       11.68437 
1 1 1 -22 -5  50 o 24.689  9.1108  97.176     72.060   103.841    80.096   68.874     165.056  25.242  9.5456  24.995  11.558  0.2476120      14.99025 
1 1 1 -22 -5  51 o 19.838  7.9155  48.418     57.414   76.484     73.956   5.8447     91.086   22.904  9.0324  19.436  8.8364  3.467928       12.63586 
1 1 1 -22 -5  52 o 23.086  8.3091  80.450     59.406   25.607     74.599   175.512    98.215   19.325  8.4332  30.834  10.721  -11.50923      13.64009 
1 1 1 -22 -5  53 o 20.101  7.9375  51.275     57.185   46.440     71.367   59.947     95.579   20.487  8.5704  22.517  9.6864  -2.029327      12.93360 
1 1 1 -22 -5  54 o 27.744  13.612  134.979    313.669  134.979    313.669  0.0000     0.0000   27.744  13.612  ?       ?       0.000000       13.61242 
1 1 1 -22 -5  55 o 20.423  9.4086  10.892     107.885  65.391     311.686  3.4741     114.994  26.244  13.005  20.525  9.5449  5.719637       16.13183 
1 1 1 -22 -5  56 o 23.045  10.174  75.160     111.446  80.877     319.209  74.367     118.929  25.699  12.805  23.177  10.354  2.522270       16.46743 
1 1 1 -22 -4  1  o 33.938  4.7111  145.805    37.749   136.719    45.809   165.029    66.632   32.430  6.0440  34.987  8.0203  -2.557438      10.04261 
1 1 1 -22 -4  2  o 22.059  7.4092  60.008     46.822   30.793     89.617   70.977     54.913   23.156  9.6382  23.842  8.0238  -0.6859550     12.54099 
1 1 1 -22 -4  3  o 14.179  5.8715  8.1596     33.015   89.435     88.541   -4.9658    35.581   27.533  10.109  13.359  5.8272  14.17415       11.66804 
1 1 1 -22 -4  4  o 51.277  3.8876  325.578    48.010   306.551    68.626   343.817    67.190   49.115  5.8750  52.234  5.3782  -3.118496      7.965014 
1 1 1 -22 -4  5  o 42.880  4.2732  229.095    43.868   209.722    60.893   249.997    63.251   40.342  6.4372  44.259  6.0480  -3.917053      8.832651 
1 1 1 -22 -4  6  o 27.443  6.4896  98.513     42.534   70.001     67.563   117.231    54.743   24.633  8.8618  29.749  7.5662  -5.116808      11.65243 
1 1 1 -22 -4  7  o 14.014  6.3187  -20.6707   45.440   -7.7885    65.025   -32.9648   63.524   17.960  7.8546  16.216  7.3752  1.743668       10.77440 
1 1 1 -22 -4  8  o 45.925  5.4925  266.003    59.991   292.142    84.631   239.605    85.049   47.384  7.6192  42.460  8.5510  4.924210       11.45303 
1 1 1 -22 -4  9  o 48.970  5.2884  301.042    61.841   324.217    88.867   279.281    86.110   50.018  7.5580  46.192  7.9708  3.826122       10.98444 
1 1 1 -22 -4  10 o 94.580  4.0854  1100.36    93.757   1047.74    135.030  1149.35    130.281  91.324  6.1292  95.925  5.6220  -4.600426      8.317058 
1 1 1 -22 -4  11 f 89.534  4.1323  986.212    89.772   925.149    130.014  1041.85    124.107  85.730  6.2942  91.326  5.6280  -5.596428      8.443467 
1 1 1 -22 -4  12 o 92.037  4.1281  1041.99    92.189   931.867    132.366  1145.73    128.471  86.005  6.3885  95.832  5.5487  -9.827164      8.461735 
1 1 1 -22 -4  13 f 112.405 5.8924  1580.19    160.150  1627.78    206.698  1508.71    253.320  112.994 7.5830  107.001 9.8682  5.992973       12.44520 
1 1 1 -22 -4  14 o 98.913  5.7492  1222.82    137.389  1156.52    173.750  1333.43    224.429  95.161  7.5880  101.021 9.2590  -5.860184      11.97106 
1 1 1 -22 -4  15 o 90.759  5.8274  1031.16    127.651  978.415    160.072  1123.28    211.566  87.451  7.6199  92.412  9.5741  -4.961319      12.23630 
1 1 1 -22 -4  16 o 93.252  4.2110  1070.62    95.282   1046.38    134.827  1094.81    134.671  91.265  6.1240  93.440  5.9711  -2.175179      8.553170 
1 1 1 -22 -4  17 o 52.272  6.2792  346.975    78.047   325.312    89.437   416.150    159.817  50.084  7.5981  54.238  12.412  -4.153629      14.55327 
1 1 1 -22 -4  18 o 46.086  8.1484  279.251    87.784   279.251    87.784   0.0000     0.0000   46.086  8.1484  ?       ?       0.000000       8.148404 
1 1 1 -22 -4  19 o 19.559  8.5585  -7.8276    77.293   -7.8276    77.293   0.0000     0.0000   19.559  8.5585  ?       ?       0.000000       8.558537 
1 1 1 -22 -4  20 o 36.632  9.0248  181.462    79.694   166.898    95.597   214.643    144.291  34.937  10.459  39.094  13.005  -4.157333      16.68928 
1 1 1 -22 -4  21 o 44.208  11.614  277.381    126.193  0.0000     0.0000   277.381    126.193  ?       ?       44.208  11.614  0.000000       11.61381 
1 1 1 -22 -4  22 o 62.437  7.4703  505.217    110.926  477.741    212.825  515.464    129.977  55.432  15.315  62.311  8.8452  -6.878139      17.68584 
1 1 1 -22 -4  23 o 38.159  10.002  202.141    93.729   147.277    191.569  219.408    107.472  35.760  14.392  39.436  10.878  -3.676041      18.04039 
1 1 1 -22 -4  24 o 14.178  6.4408  -24.7692   48.276   22.260     76.993   -55.2382   61.972   21.314  8.9079  14.743  6.9056  6.571198       11.27109 
1 1 1 -22 -4  25 o 34.493  6.5859  155.940    53.109   211.137    87.983   124.299    66.615   39.066  9.3966  30.263  8.6429  8.803774       12.76697 
1 1 1 -22 -4  26 o 70.010  4.4569  611.348    75.317   711.852    119.643  545.375    96.934   74.332  6.7057  65.283  6.1937  9.049561       9.128444 
1 1 1 -22 -4  27 o 51.170  4.9419  330.362    60.595   379.751    98.066   299.860    77.067   53.477  7.7863  47.912  6.8219  5.565117       10.35206 
1 1 1 -22 -4  28 o 68.141  4.5416  581.395    74.660   735.721    118.910  480.962    95.925   75.469  6.5588  60.901  6.5969  14.56845       9.302515 
1 1 1 -22 -4  29 o 48.123  5.1579  294.530    59.288   261.534    100.428  312.181    73.454   42.861  9.8617  49.013  6.3239  -6.152348      11.71515 
1 1 1 -22 -4  30 o 31.005  8.0537  132.532    61.134   0.0000     0.0000   132.532    61.134   ?       ?       31.005  8.0537  0.000000       8.053712 
1 1 1 -22 -4  31 o 29.623  8.1625  121.575    60.549   0.0000     0.0000   121.575    60.549   ?       ?       29.623  8.1625  0.000000       8.162526 
1 1 1 -22 -4  32 o 22.760  7.9303  65.511     53.756   0.0000     0.0000   65.511     53.756   ?       ?       22.760  7.9303  0.000000       7.930345 
1 1 1 -22 -4  33 o 42.179  6.3704  234.733    63.165   398.285    127.301  181.316    72.752   52.113  10.431  35.901  8.4858  16.21191       13.44709 
1 1 1 -22 -4  34 o 49.327  6.2079  319.036    72.655   357.186    87.277   232.924    131.126  51.623  7.1605  38.169  12.383  13.45473       14.30452 
1 1 1 -22 -4  35 o 26.721  7.7167  98.805     52.830   124.457    59.827   7.9757     112.579  29.779  8.0760  23.032  10.194  6.746923       13.00509 
1 1 1 -22 -4  36 o 22.745  6.6225  69.646     38.767   109.784    53.736   26.083     55.982   28.086  7.6693  18.826  7.7047  9.259350       10.87107 
1 1 1 -22 -4  37 o 44.033  5.5618  252.322    58.098   426.881    87.034   112.015    78.029   56.837  6.4236  28.103  9.5641  28.73462       11.52104 
1 1 1 -22 -4  38 o 35.768  6.4956  172.180    54.298   234.783    82.397   124.126    72.190   40.523  8.6437  29.263  9.1533  11.25999       12.58958 
1 1 1 -22 -4  39 o 17.342  7.0440  23.135     46.353   9.4152     71.249   33.203     61.035   19.094  8.2880  19.807  8.0684  -0.7129269     11.56677 
1 1 1 -22 -4  40 o 41.571  8.5089  248.651    82.937   184.535    187.669  264.212    92.456   33.413  13.931  42.275  9.2688  -8.862049      16.73266 
1 1 1 -22 -4  41 o 25.640  9.0269  93.021     69.744   7.8468     175.930  108.902    75.968   26.016  11.996  27.273  9.4317  -1.257200      15.25971 
1 1 1 -22 -4  42 o 28.597  7.1021  115.612    49.056   56.508     76.558   156.783    63.897   22.535  9.0879  32.789  8.0829  -10.25335      12.16238 
1 1 1 -22 -4  43 o 21.231  7.3759  60.691     46.487   47.782     71.549   70.120     61.152   21.392  8.7273  22.810  8.3970  -1.418432      12.11100 
1 1 1 -22 -4  44 o 24.194  7.6849  84.745     50.703   114.074    75.638   60.812     68.328   27.176  9.4104  22.113  8.6941  5.062647       12.81188 
1 1 1 -22 -4  45 o 17.813  6.9826  34.260     43.954   -51.3665   69.341   91.774     56.830   15.155  7.1620  24.839  8.1569  -9.683648      10.85495 
1 1 1 -22 -4  46 o 16.853  7.0436  21.011     48.141   44.917     73.895   3.3847     63.454   20.874  8.7256  17.201  7.6309  3.673321       11.59162 
1 1 1 -22 -4  47 o 16.533  7.2907  5.1712     57.080   39.417     72.406   -51.0525   92.775   20.242  8.5592  17.426  8.2500  2.816420       11.88788 
1 1 1 -22 -4  48 o 15.302  7.0182  -17.8213   59.122   -65.1587   75.162   58.996     95.747   15.069  7.2154  22.584  9.7045  -7.514197      12.09291 
1 1 1 -22 -4  49 o 22.237  10.589  -19.4638   157.241  0.0000     0.0000   -19.4638   157.241  ?       ?       22.237  10.589  0.000000       10.58914 
1 1 1 -22 -4  50 o 31.119  9.4254  163.551    77.300   180.753    86.115   92.195     175.389  32.128  9.9888  25.948  11.969  6.180172       15.58950 
1 1 1 -22 -4  51 o 43.435  6.8427  271.375    69.730   288.447    90.741   246.756    108.968  42.346  9.1022  36.095  11.239  6.251076       14.46222 
1 1 1 -22 -4  52 o 16.783  7.3093  12.120     55.787   -77.5060   70.840   158.449    90.517   14.107  6.8171  29.803  10.296  -15.69528      12.34826 
1 1 1 -22 -4  53 o 48.694  19.726  1119.49    362.443  1119.49    362.443  0.0000     0.0000   48.694  19.726  ?       ?       0.000000       19.72574 
1 1 1 -22 -4  54 o 37.083  12.122  285.602    125.553  143.430    269.640  324.961    141.871  27.560  13.314  38.222  12.897  -10.66139      18.53585 
1 1 1 -22 -4  55 o 16.181  7.9440  -122.4814  107.370  -361.6277  200.011  -25.6649   127.262  18.146  9.1789  20.116  9.5640  -1.970186      13.25603 
1 1 1 -22 -3  1  o 21.974  7.4715  58.989     47.619   48.448     88.151   63.332     56.586   24.230  9.7586  23.059  8.1296  1.170488       12.70124 
1 1 1 -22 -3  2  o 34.991  7.1016  161.297    58.234   165.946    106.174  159.297    69.644   34.654  11.133  34.341  8.4223  0.3130646      13.95955 
1 1 1 -22 -3  3  o 18.339  5.8271  41.703     29.150   32.191     38.918   53.860     43.997   17.899  6.6776  21.138  7.1818  -3.238382      9.806563 
1 1 1 -22 -3  4  o 21.337  6.0248  58.752     32.560   66.155     44.261   50.022     48.066   22.818  7.1722  20.995  7.4829  1.822975       10.36500 
1 1 1 -22 -3  5  o 25.169  6.9776  82.811     44.095   55.056     72.152   99.357     55.708   23.589  9.0262  27.470  7.9216  -3.881390      12.00933 
1 1 1 -22 -3  6  o 33.845  6.0848  147.493    48.132   202.001    74.893   109.137    62.824   39.020  8.1721  28.758  8.4469  10.26255       11.75306 
1 1 1 -22 -3  7  o 33.590  6.1640  145.401    48.387   127.518    70.788   161.085    66.292   30.947  8.9312  34.846  8.0084  -3.898693      11.99586 
1 1 1 -22 -3  8  o 57.907  4.6856  416.878    65.272   356.920    90.138   482.979    94.643   52.663  7.2459  61.738  6.4113  -9.075413      9.675146 
1 1 1 -22 -3  9  o 105.640 4.2132  1373.73    107.996  1242.49    151.331  1509.93    154.168  99.403  6.3070  109.906 5.8016  -10.50307      8.569549 
1 1 1 -22 -3  10 o 14.401  6.3312  -9.1849    42.743   -24.7104   61.082   5.7121     59.833   16.363  7.3569  18.238  7.7497  -1.875088      10.68554 
1 1 1 -22 -3  11 o 22.100  7.3743  59.240     46.380   65.547     67.780   53.687     63.602   24.324  8.8576  22.833  8.5329  1.491398       12.29903 
1 1 1 -22 -3  12 o 81.773  5.1232  831.295    101.139  782.359    118.054  966.308    196.090  78.871  6.2192  85.736  9.5903  -6.865021      11.43032 
1 1 1 -22 -3  13 o 75.346  6.1767  714.013    111.929  678.858    138.672  779.728    189.598  72.595  8.0057  76.345  10.514  -3.749664      13.21492 
1 1 1 -22 -3  14 o 26.685  9.3836  84.846     75.346   24.936     91.937   207.390    131.488  23.319  9.7389  38.834  12.380  -15.51482      15.75131 
1 1 1 -22 -3  15 o 37.314  7.0630  180.892    61.605   94.476     96.629   240.072    79.964   28.735  10.559  42.787  7.9962  -14.05193      13.24491 
1 1 1 -22 -3  16 o 106.071 4.1562  1384.47    106.970  1411.17    152.733  1358.77    149.864  106.155 5.9537  104.159 5.9545  1.995865       8.420333 
1 1 1 -22 -3  17 o 52.875  7.4852  361.126    93.350   361.126    93.350   0.0000     0.0000   52.875  7.4852  ?       ?       0.000000       7.485232 
1 1 1 -22 -3  18 o 37.208  9.8352  188.507    90.140   188.507    90.140   0.0000     0.0000   37.208  9.8352  ?       ?       0.000000       9.835156 
1 1 1 -22 -3  19 o 37.054  9.8208  187.335    89.721   187.335    89.721   0.0000     0.0000   37.054  9.8208  ?       ?       0.000000       9.820795 
1 1 1 -22 -3  20 o 24.891  8.9579  71.660     69.044   63.792     79.623   95.508     138.620  24.935  9.4962  30.984  12.319  -6.049124      15.55438 
1 1 1 -22 -3  21 o 23.967  9.4098  52.191     79.936   223.388    189.307  15.043     88.183   40.080  14.771  22.139  9.4077  17.94074       17.51264 
1 1 1 -22 -3  22 f 13.661  6.6818  -131.8962  73.806   96.224     166.613  -187.5885  82.323   32.306  13.265  13.348  6.6265  18.95735       14.82770 
1 1 1 -22 -3  23 o 42.533  9.7028  249.190    97.920   472.669    198.249  177.077    112.616  55.480  14.548  35.630  11.467  19.84951       18.52407 
1 1 1 -22 -3  24 o 24.520  7.8147  77.555     52.397   43.740     82.616   100.309    67.770   23.401  9.4395  27.624  8.8963  -4.222752      12.97102 
1 1 1 -22 -3  25 o 40.866  7.3028  220.504    69.756   217.457    92.513   224.518    106.195  39.496  9.7196  39.684  10.759  -0.1880074     14.49891 
1 1 1 -22 -3  26 o 99.932  4.3186  1239.45    104.716  1434.24    151.887  1062.98    144.567  106.316 5.9112  90.995  6.5924  15.32141       8.854495 
1 1 1 -22 -3  27 o 97.567  4.3173  1182.90    102.207  1219.65    148.498  1149.81    140.888  97.601  6.3042  94.873  6.1534  2.728325       8.809477 
1 1 1 -22 -3  28 o 35.379  7.0172  166.782    58.112   127.666    90.464   194.262    75.825   30.493  10.298  37.559  8.5164  -7.065735      13.36366 
1 1 1 -22 -3  29 o 44.998  5.7824  261.036    61.674   213.677    107.376  284.353    75.342   38.068  11.004  46.447  6.8944  -8.379253      12.98507 
1 1 1 -22 -3  30 o 55.280  6.2523  396.733    82.389   0.0000     0.0000   396.733    82.389   ?       ?       55.280  6.2523  0.000000       6.252312 
1 1 1 -22 -3  31 o 22.568  8.0048  62.933     54.942   0.0000     0.0000   62.933     54.942   ?       ?       22.568  8.0048  0.000000       8.004760 
1 1 1 -22 -3  32 o 84.598  4.3796  898.039    89.591   1034.98    136.812  795.222    118.545  89.236  6.3602  78.224  6.2990  11.01216       8.951485 
1 1 1 -22 -3  33 o 86.738  6.0096  973.175    125.701  1103.89    161.099  769.725    200.981  91.028  7.3566  70.865  12.124  20.16339       14.18166 
1 1 1 -22 -3  34 o 18.694  7.2812  33.729     47.560   51.166     53.180   -35.9338   106.296  21.043  7.8146  20.570  9.4255  0.4727421      12.24364 
1 1 1 -22 -3  35 o 31.722  7.4639  138.994    56.493   135.358    65.474   149.586    111.756  30.883  8.4791  31.787  11.401  -0.9042568     14.20860 
1 1 1 -22 -3  36 o 13.721  6.1128  -10.4329   41.143   78.004     70.242   -56.6221   50.763   24.661  9.0113  12.642  6.0189  12.01926       10.83656 
1 1 1 -22 -3  37 o 7.7266  3.9207  -139.4128  38.496   -417.7545  139.763  -116.5619  40.046   15.105  7.6439  8.5619  4.3043  6.542809       8.772474 
1 1 1 -22 -3  38 f 10.697  5.1652  -58.3349   40.487   -69.3458   65.666   -51.5821   51.424   14.329  6.8287  12.952  6.1349  1.376983       9.179739 
1 1 1 -22 -3  39 o 31.479  8.1342  141.883    62.576   180.725    175.337  136.214    66.987   33.417  13.651  30.606  8.6414  2.810972       16.15620 
1 1 1 -22 -3  40 o 43.044  8.1994  263.883    82.509   430.254    191.966  226.183    91.380   46.822  14.962  38.566  9.7576  8.255890       17.86229 
1 1 1 -22 -3  41 o 34.479  8.8985  177.481    74.948   334.804    184.482  146.381    82.022   40.637  14.641  30.829  9.7724  9.808495       17.60270 
1 1 1 -22 -3  42 o 45.402  5.6839  273.894    61.244   379.997    89.846   181.800    83.705   52.215  7.2904  34.109  9.6700  18.10654       12.11028 
1 1 1 -22 -3  43 f 55.543  5.0661  403.240    67.525   491.596    97.913   323.103    93.248   59.637  6.8934  46.779  8.5296  12.85825       10.96691 
1 1 1 -22 -3  44 o 19.877  7.3688  50.150     47.246   -34.6900   72.898   111.596    62.039   16.368  7.6078  27.135  8.4851  -10.76656      11.39627 
1 1 1 -22 -3  45 o ?       ?       -321.0176  18.614   -303.5565  52.247   -323.5562  19.921   ?       ?       ?       ?       0.000000       ?        
1 1 1 -22 -3  46 o 17.508  7.4952  18.454     56.731   10.268     73.606   30.434     89.039   18.559  8.2268  20.879  9.1597  -2.320179      12.31182 
1 1 1 -22 -3  47 o 27.067  8.4654  115.365    61.748   169.640    80.847   39.379     95.660   31.734  9.6454  21.586  9.4815  10.14726       13.52528 
1 1 1 -22 -3  48 o 21.312  9.3485  39.428     92.725   668.822    257.955  -53.9665   99.367   45.123  17.114  17.777  8.4515  27.34651       19.08748 
1 1 1 -22 -3  49 o 30.493  12.925  210.379    165.777  0.0000     0.0000   210.379    165.777  ?       ?       30.493  12.925  0.000000       12.92537 
1 1 1 -22 -3  50 o 25.461  9.2040  105.183    72.994   139.489    80.837   -46.3055   169.871  28.484  9.7345  22.093  10.646  6.390566       14.42590 
1 1 1 -22 -3  51 o 14.824  6.7778  -15.7470   54.556   29.952     66.107   -113.3385  96.605   18.989  8.1090  15.734  7.6848  3.254741       11.17190 
1 1 1 -22 -3  52 o 29.336  8.5234  137.460    64.278   71.043     78.811   269.410    111.085  22.665  9.1925  37.920  11.257  -15.25424      14.53372 
1 1 1 -22 -3  53 o 12.659  6.3845  -236.1478  92.118   -410.9355  181.380  -175.3926  106.936  16.968  8.5999  15.173  7.5359  1.794954       11.43448 
1 1 1 -22 -3  54 o 20.498  9.3567  16.924     103.432  -24.9496   194.372  33.465     122.165  23.025  11.167  22.075  10.111  0.9499531      15.06464 
1 1 1 -22 -3  55 o 16.072  7.8310  -95.3545   98.598   61.656     201.505  -144.7794  113.056  24.498  11.752  16.056  7.9339  8.441925       14.17946 
1 1 1 -22 -2  1  o 17.901  7.0770  25.249     45.506   152.958    84.323   -27.2277   54.053   33.383  9.7806  15.005  6.8160  18.37848       11.92131 
1 1 1 -22 -2  2  o 40.658  4.1964  206.170    40.804   172.831    56.807   241.707    58.649   36.429  6.6725  43.600  5.6786  -7.170532      8.761796 
1 1 1 -22 -2  3  o 48.633  3.9824  293.197    46.582   310.023    66.089   276.585    65.668   49.520  5.5986  46.622  5.9398  2.897469       8.162451 
1 1 1 -22 -2  4  o 19.757  6.1282  49.040     32.434   67.392     43.184   25.289     49.127   22.966  7.0625  18.430  7.3319  4.535448       10.18019 
1 1 1 -22 -2  5  o 22.614  7.0103  64.948     42.451   131.980    67.062   20.128     54.836   31.431  8.5614  18.702  7.6363  12.72912       11.47214 
1 1 1 -22 -2  6  o 51.047  4.5467  324.186    55.726   332.125    81.898   317.341    76.044   50.920  6.7985  49.893  6.4312  1.026783       9.358412 
1 1 1 -22 -2  7  o 90.326  3.9872  1003.07    87.387   959.540    125.216  1044.39    122.014  87.464  5.9354  91.462  5.5239  -3.998589      8.108135 
1 1 1 -22 -2  8  o 103.045 4.1954  1306.83    104.897  1176.71    147.080  1441.53    149.648  96.737  6.3005  107.409 5.7631  -10.67211      8.538705 
1 1 1 -22 -2  9  o 47.664  5.3226  285.139    60.505   276.803    81.903   295.154    89.772   46.192  7.5697  47.533  8.0723  -1.340595      11.06632 
1 1 1 -22 -2  10 o 25.454  7.9161  82.747     54.081   46.565     72.990   126.790    80.529   23.053  9.0087  31.069  9.6593  -8.016691      13.20826 
1 1 1 -22 -2  11 o 38.672  6.0166  190.622    54.622   194.936    79.745   186.808    74.969   38.243  8.7794  37.525  8.4385  0.7183723      12.17728 
1 1 1 -22 -2  12 o 49.005  7.4693  310.056    86.006   380.802    104.875  164.763    150.294  54.076  8.2546  36.195  13.188  17.88038       15.55851 
1 1 1 -22 -2  13 o 31.953  9.5435  135.417    79.659   152.561    97.717   101.455    137.537  33.859  10.659  31.605  12.362  2.254459       16.32279 
1 1 1 -22 -2  14 o 26.652  9.4542  83.602     76.642   90.945     95.888   70.611     127.535  28.433  10.506  29.106  11.733  -0.6736641     15.74914 
1 1 1 -22 -2  15 o 44.599  5.7083  251.330    60.355   211.937    86.482   288.734    84.270   39.757  9.1542  47.176  7.6217  -7.419590      11.91175 
1 1 1 -22 -2  16 o 104.305 6.0839  1364.27    153.306  1364.27    153.306  0.0000     0.0000   104.305 6.0839  ?       ?       0.000000       6.083861 
1 1 1 -22 -2  17 o 93.775  6.1027  1104.55    138.102  1104.55    138.102  0.0000     0.0000   93.775  6.1027  ?       ?       0.000000       6.102694 
1 1 1 -22 -2  18 o 40.795  10.321  228.500    102.246  228.500    102.246  0.0000     0.0000   40.795  10.321  ?       ?       0.000000       10.32131 
1 1 1 -22 -2  19 o 29.608  9.2340  115.316    73.528   48.092     85.458   306.944    144.285  24.203  9.6570  46.282  12.538  -22.07906      15.82553 
1 1 1 -22 -2  20 o 24.918  9.9958  50.664     92.085   0.0000     0.0000   50.664     92.085   ?       ?       24.918  9.9958  0.000000       9.995814 
1 1 1 -22 -2  21 o 55.015  7.8009  395.083    101.216  470.022    206.741  371.459    116.079  55.380  15.010  52.478  9.4643  2.901577       17.74482 
1 1 1 -22 -2  22 o 46.401  9.1247  290.991    99.072   209.441    200.316  317.397    113.989  39.292  15.039  47.996  10.107  -8.704144      18.11958 
1 1 1 -22 -2  23 o 14.448  6.5289  -22.2221   48.823   90.066     78.960   -91.7269   62.122   27.063  9.5965  13.241  6.3947  13.82235       11.53193 
1 1 1 -22 -2  24 o 115.612 4.3247  1655.77    121.316  1770.31    177.090  1554.48    166.531  118.124 6.2003  110.649 6.2281  7.474602       8.788209 
1 1 1 -22 -2  25 o 64.262  4.8301  517.523    74.763   699.517    113.345  377.359    99.470   73.932  6.3810  53.371  7.9215  20.56033       10.17183 
1 1 1 -22 -2  26 o 47.507  5.6213  288.084    63.542   244.682    97.263   320.401    83.929   41.770  9.7706  49.389  7.2164  -7.618725      12.14666 
1 1 1 -22 -2  27 f 52.401  5.3393  348.805    66.938   440.779    101.895  278.979    88.783   57.833  7.4334  45.350  8.3770  12.48284       11.19950 
1 1 1 -22 -2  28 o 31.128  7.6110  131.609    57.006   109.820    91.966   145.204    72.645   28.917  10.346  32.273  8.9593  -3.356131      13.68597 
1 1 1 -22 -2  29 o 56.461  7.2008  421.164    96.403   0.0000     0.0000   421.164    96.403   ?       ?       56.461  7.2008  0.000000       7.200768 
1 1 1 -22 -2  30 o 58.741  6.8939  453.902    96.389   0.0000     0.0000   453.902    96.389   ?       ?       58.741  6.8939  0.000000       6.893873 
1 1 1 -22 -2  31 o 39.066  8.6131  213.440    79.446   0.0000     0.0000   213.440    79.446   ?       ?       39.066  8.6131  0.000000       8.613089 
1 1 1 -22 -2  32 o 48.398  6.0214  305.142    69.183   312.480    112.789  300.715    87.596   46.130  10.333  46.884  7.9865  -0.7537460     13.05993 
1 1 1 -22 -2  33 o 34.176  7.3228  159.591    58.896   117.540    68.466   279.269    115.503  28.868  8.8953  42.875  11.037  -14.00670      14.17549 
1 1 1 -22 -2  34 o 12.812  5.9047  -27.3350   42.542   -56.5346   47.783   84.296     93.428   12.156  5.8020  26.361  10.222  -14.20453      11.75412 
1 1 1 -22 -2  35 o 51.991  4.9679  345.407    61.907   296.297    82.622   408.273    93.481   46.624  7.5625  55.155  7.1536  -8.531467      10.40981 
1 1 1 -22 -2  36 o 25.353  8.1167  88.385     56.477   134.848    77.222   34.951     82.811   30.448  9.4577  22.021  9.2237  8.426769       13.21077 
1 1 1 -22 -2  37 o 52.497  5.5909  358.052    70.119   412.916    98.110   300.765    100.253  55.004  7.5503  45.462  9.3989  9.542423       12.05594 
1 1 1 -22 -2  38 o 28.458  7.8892  114.602    56.369   188.147    78.844   37.703     80.622   35.829  9.0628  21.877  9.1269  13.95209       12.86212 
1 1 1 -22 -2  39 o 26.202  10.003  91.341     88.496   213.502    170.635  46.393     103.503  34.971  13.742  23.931  10.181  11.03927       17.10304 
1 1 1 -22 -2  40 o 15.336  7.3546  -85.1235   78.766   -362.4476  158.226  6.2434     90.819   17.080  8.5827  20.622  9.1398  -3.541483      12.53790 
1 1 1 -22 -2  41 o 18.546  7.6510  27.055     55.758   0.8416     77.723   54.851     80.035   18.980  8.4316  22.664  9.2366  -3.684286      12.50629 
1 1 1 -22 -2  42 o 32.490  7.9076  153.969    61.749   225.491    86.139   78.362     88.565   38.299  9.3506  24.627  9.8295  13.67230       13.56663 
1 1 1 -22 -2  43 o 51.463  5.8531  355.449    71.788   406.143    98.601   298.265    104.723  53.102  7.8926  43.100  10.177  10.00233       12.87861 
1 1 1 -22 -2  44 o 29.297  8.2502  130.050    61.142   87.314     84.221   177.671    88.904   24.738  9.6743  32.686  10.147  -7.948709      14.01976 
1 1 1 -22 -2  45 o 63.128  5.1041  526.282    77.513   496.637    106.711  559.396    112.780  58.437  7.7144  62.136  7.6414  -3.698906      10.85833 
1 1 1 -22 -2  46 o 19.042  7.8209  36.774     57.940   41.681     73.298   28.602     94.596   20.495  8.6359  21.062  9.3318  -0.5668678     12.71462 
1 1 1 -22 -2  47 o 21.492  9.1617  49.225     84.118   9.8309     177.494  60.636     95.527   23.947  11.359  22.713  9.7248  1.234514       14.95315 
1 1 1 -22 -2  48 o 34.611  13.781  298.822    173.683  0.0000     0.0000   298.822    173.683  ?       ?       34.611  13.781  0.000000       13.78053 
1 1 1 -22 -2  49 o 21.112  8.6345  55.378     70.252   86.473     79.054   -61.3947   153.197  23.840  9.3586  20.983  10.111  2.856850       13.77757 
1 1 1 -22 -2  50 o 35.483  7.7666  190.675    65.011   138.946    82.454   275.670    105.691  28.384  9.8255  39.119  10.786  -10.73510      14.59059 
1 1 1 -22 -2  51 o 20.968  8.1370  59.054     59.231   33.981     74.146   103.273    98.466   19.852  8.5356  25.365  10.279  -5.513029      13.36118 
1 1 1 -22 -2  52 o 30.904  11.557  189.142    116.700  -8.8895    228.828  258.753    135.669  24.724  12.020  34.635  12.544  -9.910917      17.37330 
1 1 1 -22 -2  53 o 24.390  10.436  88.695     109.875  39.967     218.859  105.115    127.045  25.167  12.117  25.502  11.068  -0.3343830     16.41151 
1 1 1 -22 -2  54 o 19.310  9.0892  -20.8921   109.653  28.802     209.542  -39.6319   128.678  24.292  11.735  19.845  9.4856  4.447035       15.08952 
1 1 1 -22 -1  1  o 62.008  3.7831  475.012    56.646   462.639    79.611   487.700    80.618   60.602  5.4731  62.268  5.3890  -1.665848      7.680907 
1 1 1 -22 -1  2  o 35.906  4.7150  162.356    40.086   143.949    54.659   183.777    58.964   33.089  7.0252  37.604  6.7084  -4.515354      9.713688 
1 1 1 -22 -1  3  o 73.328  3.8129  662.958    67.606   617.481    94.107   711.460    97.187   70.123  5.5770  75.399  5.3470  -5.275963      7.726139 
1 1 1 -22 -1  4  o 86.030  3.9796  910.742    83.072   997.664    119.326  828.993    115.720  89.299  5.5344  81.195  5.9144  8.103874       8.099966 
1 1 1 -22 -1  5  o 116.677 4.1209  1676.05    116.665  1674.52    167.293  1677.51    162.779  115.550 5.9873  115.908 5.7879  -0.3571014     8.327570 
1 1 1 -22 -1  6  o 102.139 4.0652  1283.35    100.748  1264.70    144.326  1301.07    140.703  100.449 5.9480  102.017 5.7071  -1.567726      8.243163 
1 1 1 -22 -1  7  o 39.162  5.4090  193.838    50.025   60.571     74.634   302.548    67.408   24.377  9.2154  48.957  5.7865  -24.58037      10.88148 
1 1 1 -22 -1  8  o 48.379  4.9628  292.425    57.433   270.159    83.415   312.494    79.193   45.525  7.8341  49.438  6.7804  -3.913425      10.36086 
1 1 1 -22 -1  9  o 16.491  7.0471  1.6389     49.989   27.675     66.890   -31.2958   75.233   20.859  8.4657  18.031  8.1302  2.828655       11.73745 
1 1 1 -22 -1  10 o 31.987  7.3518  134.184    55.864   199.170    75.502   55.570     83.042   38.830  8.2670  24.698  9.6208  14.13233       12.68479 
1 1 1 -22 -1  11 o 21.898  8.7248  36.542     69.663   7.8760     83.580   101.774    126.081  21.368  9.1213  31.000  11.915  -9.631628      15.00571 
1 1 1 -22 -1  12 o 28.763  9.4997  104.829    77.040   132.526    91.282   36.254     143.632  31.887  10.331  28.440  12.042  3.446344       15.86601 
1 1 1 -22 -1  13 o 36.270  9.0922  176.211    79.864   162.414    98.639   202.468    136.077  34.789  10.670  38.545  12.620  -3.755989      16.52626 
1 1 1 -22 -1  14 o 24.629  8.1884  74.767     57.205   110.886    93.751   53.342     72.204   29.996  10.472  23.564  9.0264  6.432199       13.82505 
1 1 1 -22 -1  15 o 51.055  7.6331  337.230    91.656   337.230    91.656   0.0000     0.0000   51.055  7.6331  ?       ?       0.000000       7.633055 
1 1 1 -22 -1  16 o 32.252  9.5385  138.729    79.868   138.729    79.868   0.0000     0.0000   32.252  9.5385  ?       ?       0.000000       9.538463 
1 1 1 -22 -1  17 o 114.098 6.3273  1637.51    174.483  1637.51    174.483  0.0000     0.0000   114.098 6.3273  ?       ?       0.000000       6.327269 
1 1 1 -22 -1  18 o 114.651 5.3895  1635.34    149.931  1752.42    179.393  1364.06    273.058  118.008 6.2878  100.010 11.459  17.99738       13.07098 
1 1 1 -22 -1  19 o 79.204  6.6845  796.808    127.263  758.021    255.350  809.627    146.793  71.044  15.268  79.254  7.7319  -8.210274      17.11406 
1 1 1 -22 -1  20 o 73.534  6.9616  691.256    122.734  1012.23    252.644  592.107    140.417  84.608  12.698  66.973  8.8582  17.63544       15.48286 
1 1 1 -22 -1  21 o 31.613  9.9326  134.228    84.898   -6.0085    202.504  164.133    93.513   30.238  13.509  34.573  10.343  -4.334814      17.01447 
1 1 1 -22 -1  22 o 63.076  5.9589  504.349    90.120   686.679    235.949  473.207    97.513   67.092  14.883  60.726  6.7313  6.366337       16.33473 
1 1 1 -22 -1  23 o 121.938 4.4040  1842.01    130.303  1973.49    189.724  1724.62    179.272  124.744 6.2884  116.534 6.3642  8.210182       8.946856 
1 1 1 -22 -1  24 o 47.474  5.7819  287.562    65.227   397.443    100.424  207.382    85.785   54.949  7.7470  38.793  9.2448  16.15596       12.06164 
1 1 1 -22 -1  25 o 39.557  6.5530  204.116    60.694   314.524    95.502   129.307    78.612   48.332  8.4512  30.746  9.5411  17.58644       12.74583 
1 1 1 -22 -1  26 o 105.998 4.3981  1396.83    113.118  1562.32    166.304  1254.35    154.313  110.625 6.2209  98.894  6.4665  11.73154       8.972996 
1 1 1 -22 -1  27 o 74.553  4.9821  699.660    89.605   912.154    146.932  573.840    113.062  83.486  7.3274  66.224  7.1496  17.26186       10.23758 
1 1 1 -22 -1  28 o 29.133  9.3540  116.563    74.966   0.0000     0.0000   116.563    74.966   ?       ?       29.133  9.3540  0.000000       9.354013 
1 1 1 -22 -1  29 o 14.352  6.7656  -57.8829   61.167   0.0000     0.0000   -57.8829   61.167   ?       ?       14.352  6.7656  0.000000       6.765623 
1 1 1 -22 -1  30 f 55.442  6.5747  402.518    86.724   346.609    232.332  411.569    93.480   43.653  16.309  55.762  7.0676  -12.10928      17.77502 
1 1 1 -22 -1  31 o 19.068  7.5247  32.810     51.359   -29.0344   75.038   87.316     70.445   17.608  8.0110  25.804  9.0733  -8.196022      12.10379 
1 1 1 -22 -1  32 o 64.157  5.7345  530.748    88.329   476.842    107.286  644.161    155.617  59.493  7.6062  67.177  9.8388  -7.683254      12.43610 
1 1 1 -22 -1  33 o 57.441  5.8364  427.750    80.215   402.863    95.821   486.037    146.643  54.694  7.4112  57.034  10.995  -2.339264      13.25973 
1 1 1 -22 -1  34 o 58.934  5.9674  452.042    84.156   458.041    101.413  438.774    150.815  58.366  7.3222  52.980  12.009  5.386059       14.06538 
1 1 1 -22 -1  35 o 35.921  6.8990  174.681    57.945   96.817     86.235   238.776    78.240   26.979  9.9646  41.423  8.0746  -14.44359      12.82545 
1 1 1 -22 -1  36 o 38.904  6.8619  204.495    62.407   294.787    84.562   96.496     92.483   46.232  7.8168  27.081  10.253  19.15093       12.89317 
1 1 1 -22 -1  37 o 28.756  7.9599  116.894    57.429   150.215    78.939   79.428     83.704   31.868  9.4963  25.256  9.7082  6.612530       13.58042 
1 1 1 -22 -1  38 o 35.397  9.1349  184.755    78.986   407.168    178.526  130.622    88.075   47.061  14.340  29.650  10.161  17.41089       17.57453 
1 1 1 -22 -1  39 o 26.331  9.9584  94.379     87.177   -236.8745  174.482  204.583    100.639  20.299  9.9975  35.929  10.726  -15.62961      14.66281 
1 1 1 -22 -1  40 o 35.225  10.356  196.408    94.396   168.881    187.271  205.784    109.297  32.191  13.695  35.301  11.290  -3.109798      17.74909 
1 1 1 -22 -1  41 o 24.623  8.2831  86.423     58.519   102.539    77.708   65.310     88.943   26.454  9.5052  23.831  9.7274  2.622982       13.60046 
1 1 1 -22 -1  42 o 52.248  5.6234  362.625    70.168   279.739    96.295   456.459    102.456  42.488  9.5704  56.739  7.6359  -14.25056      12.24335 
1 1 1 -22 -1  43 o 39.193  7.0955  217.426    64.993   165.870    90.665   271.925    93.216   31.628  10.299  41.750  9.4250  -10.12191      13.96053 
1 1 1 -22 -1  44 o 12.516  5.9734  -52.4597   50.641   -2.1338    67.995   -115.1460  75.887   17.430  7.8048  13.718  6.7234  3.712524       10.30140 
1 1 1 -22 -1  45 o 43.598  6.9097  270.138    70.659   226.371    92.237   332.306    109.929  36.722  10.056  44.542  10.366  -7.819427      14.44241 
1 1 1 -22 -1  46 o 38.652  10.213  255.337    97.228   104.362    214.315  294.463    109.101  27.343  12.818  40.824  10.834  -13.48122      16.78365 
1 1 1 -22 -1  47 o 40.539  10.305  283.557    101.589  251.531    220.364  292.200    114.479  31.187  14.002  39.646  11.333  -8.459053      18.01314 
1 1 1 -22 -1  48 o 51.997  8.0410  408.483    98.177   400.970    115.174  428.453    187.772  48.905  10.042  40.598  14.749  8.307251       17.84308 
1 1 1 -22 -1  49 o 25.646  9.1768  106.874    72.360   102.274    83.796   120.363    143.485  25.153  9.7013  26.632  11.657  -1.479734      15.16581 
1 1 1 -22 -1  50 o 29.352  8.5052  137.372    64.081   195.813    79.986   32.644     107.075  34.354  9.3468  21.704  9.7508  12.65055       13.50712 
1 1 1 -22 -1  51 o 47.734  6.5022  321.876    73.350   304.923    93.730   348.661    117.817  43.574  9.1562  44.046  11.044  -0.4726448     14.34613 
1 1 1 -22 -1  52 o 25.899  10.900  112.013    116.544  181.567    216.534  83.648     138.281  28.738  13.271  24.890  11.139  3.848253       17.32603 
1 1 1 -22 -1  53 o 17.044  8.2191  -76.9937   101.690  -466.0284  205.229  49.603     117.073  17.544  8.9172  22.575  10.164  -5.030695      13.52117 
1 1 1 -22 -1  54 o 32.021  11.600  218.763    116.023  363.946    234.879  171.903    133.440  32.202  14.456  28.167  11.746  4.034700       18.62648 
1 1 1 -22 0   1  o 14.322  5.7202  13.833     30.012   5.5527     37.928   27.702     49.086   14.788  6.2206  18.631  7.3549  -3.842414      9.632813 
1 1 1 -22 0   2  o 58.389  4.0808  422.141    57.451   382.360    77.844   469.731    85.142   54.935  5.9342  60.992  5.8240  -6.056660      8.314682 
1 1 1 -22 0   3  f 75.154  4.0617  697.531    73.792   777.154    105.824  622.174    102.950  78.741  5.5749  70.184  6.1063  8.556938       8.268398 
1 1 1 -22 0   4  o 30.345  6.3701  119.699    45.408   164.500    69.281   85.959     60.123   35.127  8.2662  25.986  8.3805  9.140656       11.77122 
1 1 1 -22 0   5  o 23.216  7.2395  68.351     45.197   113.141    72.727   40.167     57.690   29.409  9.1854  20.916  8.0545  8.493799       12.21663 
1 1 1 -22 0   6  o 33.856  6.4146  148.100    50.766   213.151    78.149   100.608    66.774   40.135  8.2988  27.918  8.8139  12.21699       12.10595 
1 1 1 -22 0   7  o 22.607  7.1150  64.250     43.542   29.859     68.875   87.145     56.197   21.245  8.6016  26.053  8.0641  -4.808136      11.79050 
1 1 1 -22 0   8  o 71.035  4.2582  623.132    73.055   692.584    106.002  560.300    100.824  74.307  5.9286  66.641  6.3105  7.666000       8.658554 
1 1 1 -22 0   9  o 24.451  7.9448  74.590     53.965   82.957     72.496   64.193     80.817   26.360  9.2081  25.219  9.5760  1.140972       13.28490 
1 1 1 -22 0   10 o 104.556 6.0846  1368.77    153.697  1508.60    195.296  1141.24    249.122  108.968 7.4307  91.945  11.412  17.02274       13.61785 
1 1 1 -22 0   11 o 142.277 6.4548  2535.50    222.833  2894.34    290.931  2026.22    346.594  150.579 7.9914  122.365 11.821  28.21341       14.26848 
1 1 1 -22 0   12 o 94.600  6.0556  1120.95    138.271  1165.64    174.248  1044.94    227.222  95.644  7.5702  88.379  10.822  7.264824       13.20691 
1 1 1 -22 0   13 o 21.048  7.9910  42.505     56.272   -6.9755    91.553   72.548     71.339   21.386  9.3374  25.269  9.1044  -3.882626      13.04133 
1 1 1 -22 0   14 o 82.831  6.1816  862.045    123.344  862.045    123.344  0.0000     0.0000   82.831  6.1816  ?       ?       0.000000       6.181578 
1 1 1 -22 0   15 o 24.451  9.3419  58.883     77.212   58.883     77.212   0.0000     0.0000   24.451  9.3419  ?       ?       0.000000       9.341862 
1 1 1 -22 0   16 o 28.684  10.034  100.679    86.091   100.679    86.091   0.0000     0.0000   28.684  10.034  ?       ?       0.000000       10.03359 
1 1 1 -22 0   17 o 29.782  9.5839  115.377    78.662   131.284    93.351   76.420     146.086  31.700  10.456  30.511  12.462  1.188501       16.26754 
1 1 1 -22 0   18 o 16.907  7.3930  -7.6401    57.584   -120.0948  81.738   103.169    81.138   15.174  7.3301  28.624  9.7527  -13.45022      12.20023 
1 1 1 -22 0   19 o 82.574  6.6818  866.188    132.729  965.397    251.157  827.744    156.345  82.473  12.980  79.826  8.1878  2.646996       15.34639 
1 1 1 -22 0   20 o 55.115  7.8480  396.618    101.988  339.947    220.469  412.047    115.036  46.942  16.076  55.709  8.8028  -8.767052      18.32828 
1 1 1 -22 0   21 o 20.022  8.9477  -23.1185   88.905   0.0000     0.0000   -23.1185   88.905   ?       ?       20.022  8.9477  0.000000       8.947673 
1 1 1 -22 0   22 o 102.039 4.3762  1288.79    108.350  1513.17    161.307  1104.32    146.256  109.395 6.1013  93.142  6.5125  16.25329       8.924078 
1 1 1 -22 0   23 o 115.427 4.4106  1651.48    123.529  1990.14    182.445  1364.80    167.859  125.591 5.9870  103.296 6.7341  22.29516       9.010651 
1 1 1 -22 0   24 o 119.223 4.4781  1765.18    129.545  1960.65    190.614  1597.40    176.596  124.073 6.3529  111.806 6.5381  12.26743       9.116220 
1 1 1 -22 0   25 o 93.843  4.4234  1094.39    100.721  1142.82    150.263  1054.88    135.725  94.338  6.6062  90.928  6.1886  3.410011       9.052112 
1 1 1 -22 0   26 o 25.164  7.8215  83.742     52.804   18.569     82.013   129.891    69.012   21.403  9.0828  30.716  8.8051  -9.313316      12.65016 
1 1 1 -22 0   27 o 13.824  6.5517  -62.3884   58.824   0.0000     0.0000   -62.3884   58.824   ?       ?       13.824  6.5517  0.000000       6.551743 
1 1 1 -22 0   28 o 21.586  8.6196  41.209     68.135   0.0000     0.0000   41.209     68.135   ?       ?       21.586  8.6196  0.000000       8.619644 
1 1 1 -22 0   29 o 25.144  8.9285  80.449     68.372   109.760    194.254  76.304     73.047   32.513  13.893  24.972  9.1797  7.541508       16.65167 
1 1 1 -22 0   30 o 96.065  4.8877  1165.13    113.553  1356.01    184.415  1048.56    144.113  100.961 7.5834  89.625  6.6747  11.33552       10.10247 
1 1 1 -22 0   31 o 67.072  4.4758  566.273    72.423   512.752    98.587   629.013    106.742  62.506  6.6001  69.428  6.4086  -6.922440      9.199561 
1 1 1 -22 0   32 o 12.000  5.6421  -39.5846   42.041   -71.0367   47.243   80.091     92.155   11.430  5.5344  26.057  10.139  -14.62675      11.55129 
1 1 1 -22 0   33 o 19.119  7.4163  36.259     49.187   30.838     56.146   54.150     101.999  19.307  7.7839  24.799  10.299  -5.492598      12.90968 
1 1 1 -22 0   34 o 82.740  4.3119  860.803    86.266   853.173    119.473  869.113    124.691  80.945  6.1284  81.494  6.3562  -0.5482483     8.829378 
1 1 1 -22 0   35 o 77.976  4.6521  770.076    87.618   822.982    125.088  719.117    122.766  78.991  6.5865  73.462  6.9708  5.529289       9.590278 
1 1 1 -22 0   36 o 31.961  7.8886  143.776    60.805   132.459    86.455   154.855    85.536   30.037  10.068  32.217  9.9450  -2.180643      14.15163 
1 1 1 -22 0   37 f 14.019  6.4811  -32.3372   51.851   74.009     69.158   -168.8590  78.357   24.066  8.9166  12.956  6.4375  11.10981       10.99759 
1 1 1 -22 0   38 o 25.997  10.090  87.313     91.072   -70.7287   172.424  148.463    107.254  23.903  11.295  31.037  11.165  -7.134069      15.88246 
1 1 1 -22 0   39 o 20.932  8.9985  24.274     82.380   90.682     168.946  3.5601     94.357   28.801  12.627  20.799  9.2621  8.002092       15.65942 
1 1 1 -22 0   40 o 15.453  6.9485  -12.6483   54.504   -57.9168   72.413   46.513     82.783   15.522  7.3306  22.266  9.2652  -6.743404      11.81450 
1 1 1 -22 0   41 o 32.119  7.6751  149.065    58.999   95.925     81.848   206.546    85.124   25.832  9.6746  36.470  9.5182  -10.63843      13.57179 
1 1 1 -22 0   42 o 12.098  5.8236  -62.8933   50.491   -78.1787   68.398   -44.5887   74.848   14.078  6.7771  16.213  7.5926  -2.135432      10.17729 
1 1 1 -22 0   43 o 12.509  5.9934  -58.0355   52.049   -32.5802   74.477   -82.3370   72.769   16.610  7.7101  14.414  6.9513  2.196618       10.38109 
1 1 1 -22 0   44 o 69.032  6.0672  649.057    100.593  311.029    149.061  931.743    136.314  38.637  13.219  81.397  6.9690  -42.76085      14.94322 
1 1 1 -22 0   45 o 20.814  8.1118  55.735     59.058   112.534    75.094   -36.3537   95.619   26.455  9.3611  18.261  8.5611  8.193726       12.68553 
1 1 1 -22 0   46 o 16.543  7.7813  -41.1412   80.101   -29.7851   185.626  -43.7396   88.793   23.293  11.201  17.275  8.1460  6.017323       13.85012 
1 1 1 -22 0   47 o 26.145  9.4425  112.636    76.799   67.100     87.066   272.268    163.016  22.688  9.4765  33.817  13.387  -11.12950      16.40136 
1 1 1 -22 0   48 o 38.376  9.5505  245.167    88.576   231.337    102.500  285.946    176.015  35.407  10.880  33.725  13.716  1.682480       17.50667 
1 1 1 -22 0   49 o 26.179  8.8214  110.510    66.374   105.344    85.047   118.559    106.160  25.409  9.7809  26.355  10.676  -0.9459705     14.47894 
1 1 1 -22 0   50 o 18.248  7.7367  27.047     59.415   -58.2959   74.717   173.829    97.988   15.260  7.2757  30.776  10.708  -15.51538      12.94581 
1 1 1 -22 0   51 o 22.283  9.8508  47.706     104.844  379.994    209.073  -63.9279   121.182  36.230  14.866  19.058  9.1350  17.17187       17.44794 
1 1 1 -22 0   52 o 37.723  12.021  289.510    123.987  -6.2237    243.905  392.560    143.977  24.827  12.144  43.235  12.812  -18.40760      17.65265 
1 1 1 -22 0   53 o 16.641  8.0325  -76.6366   97.687   242.891    203.042  -172.8771  111.432  29.880  13.426  15.458  7.6798  14.42213       15.46686 
1 1 1 -22 1   1  o 35.310  5.0988  158.035    42.419   129.536    56.499   194.855    64.221   31.229  7.5413  38.599  7.1193  -7.369801      10.37092 
1 1 1 -22 1   2  o 78.709  4.4646  767.968    84.913   732.541    109.484  821.445    134.515  76.232  5.9667  80.209  6.9813  -3.977165      9.183672 
1 1 1 -22 1   3  o 85.779  3.9924  905.525    83.096   892.127    118.110  918.657    116.930  84.296  5.8100  85.618  5.6605  -1.322060      8.111554 
1 1 1 -22 1   4  o 112.649 4.1089  1562.20    112.309  1520.53    158.727  1603.98    158.932  110.111 5.9631  113.196 5.8061  -3.084175      8.322836 
1 1 1 -22 1   5  o 99.938  4.0676  1228.64    98.636   1204.58    141.443  1251.41    137.621  98.010  5.9762  100.053 5.6923  -2.042877      8.253315 
1 1 1 -22 1   6  f 34.826  6.1183  155.701    49.815   50.553     73.984   242.906    67.376   23.457  9.0966  43.543  6.5826  -20.08541      11.22844 
1 1 1 -22 1   7  o 47.420  5.0321  281.280    57.014   228.231    83.028   328.615    78.429   41.512  8.5283  50.814  6.5107  -9.302502      10.72951 
1 1 1 -22 1   8  o 14.751  6.3606  -2.1421    41.406   -17.4252   62.615   9.7347     55.198   17.051  7.5717  17.920  7.5195  -0.8688774     10.67114 
1 1 1 -22 1   9  o 31.630  9.0845  132.748    73.399   130.875    87.000   137.374    136.715  31.624  10.069  33.883  12.540  -2.259108      16.08226 
1 1 1 -22 1   10 o 33.987  9.4261  154.655    80.452   128.271    95.441   219.428    149.542  31.616  10.578  39.966  13.237  -8.349588      16.94466 
1 1 1 -22 1   11 o 21.787  8.7427  34.128     70.473   8.7766     82.912   100.117    133.768  21.349  9.0982  31.332  12.209  -9.982737      15.22623 
1 1 1 -22 1   12 o 19.534  8.3593  3.8398     70.518   -37.8783   82.690   115.083    135.029  18.680  8.4640  32.338  12.354  -13.65744      14.97549 
1 1 1 -22 1   13 o 19.725  8.3475  9.4853     68.964   9.4853     68.964   0.0000     0.0000   19.725  8.3475  ?       ?       0.000000       8.347480 
1 1 1 -22 1   14 o 57.852  7.1185  428.110    97.815   428.110    97.815   0.0000     0.0000   57.852  7.1185  ?       ?       0.000000       7.118468 
1 1 1 -22 1   15 o 33.209  9.5912  147.845    81.610   147.845    81.610   0.0000     0.0000   33.209  9.5912  ?       ?       0.000000       9.591205 
1 1 1 -22 1   16 o 107.978 5.3330  1448.65    139.723  1443.67    166.554  1460.49    256.713  107.043 6.4426  104.802 10.225  2.240601       12.08582 
1 1 1 -22 1   17 o 121.497 6.3768  1859.21    187.333  1859.21    187.333  0.0000     0.0000   121.497 6.3768  ?       ?       0.000000       6.376813 
1 1 1 -22 1   18 o 87.044  6.6565  961.012    139.522  727.740    270.373  1045.68    162.885  68.426  16.481  90.297  7.5023  -21.87107      18.10803 
1 1 1 -22 1   19 o 81.122  6.6310  836.345    129.380  1086.75    251.674  746.397    150.838  88.290  12.064  75.609  8.3618  12.68087       14.67825 
1 1 1 -22 1   20 o 40.290  9.4820  221.816    91.153   186.439    207.283  230.297    101.493  38.432  15.132  40.750  10.269  -2.318272      18.28768 
1 1 1 -22 1   21 o 75.573  4.5790  710.358    83.569   832.230    126.917  617.076    111.037  80.830  6.5269  69.460  6.6703  11.36992       9.332325 
1 1 1 -22 1   22 o 126.308 4.4994  1978.21    137.896  2178.31    201.880  1803.18    188.804  131.152 6.3439  118.996 6.5644  12.15567       9.128871 
1 1 1 -22 1   23 o 41.228  6.5763  220.940    63.577   300.124    100.498  168.105    82.092   46.907  9.1584  34.851  9.4637  12.05610       13.16959 
1 1 1 -22 1   24 o 41.720  6.4216  226.003    62.920   238.829    100.653  217.776    80.613   41.138  10.147  39.994  8.5652  1.143929       13.27864 
1 1 1 -22 1   25 o 105.324 4.4445  1379.82    113.583  1669.13    168.167  1137.13    154.025  114.484 6.0756  93.867  6.8089  20.61647       9.125457 
1 1 1 -22 1   26 o 75.372  6.3390  730.787    114.852  0.0000     0.0000   730.787    114.852  ?       ?       75.372  6.3390  0.000000       6.338984 
1 1 1 -22 1   27 o 27.366  9.1494  100.146    71.397   0.0000     0.0000   100.146    71.397   ?       ?       27.366  9.1494  0.000000       9.149437 
1 1 1 -22 1   28 o 18.866  8.1382  5.8570     67.845   0.0000     0.0000   5.8570     67.845   ?       ?       18.866  8.1382  0.000000       8.138234 
1 1 1 -22 1   29 o 46.749  6.2023  285.056    68.618   276.413    114.803  289.861    85.589   43.070  10.959  46.186  7.9225  -3.115978      13.52244 
1 1 1 -22 1   30 o 18.084  6.9308  32.447     42.584   47.121     54.663   9.7932     67.918   20.818  7.8826  19.049  8.1792  1.768568       11.35932 
1 1 1 -22 1   31 o 68.865  5.7015  610.615    94.413   515.051    114.991  808.299    165.387  61.650  7.8665  76.072  9.1432  -14.42296      12.06150 
1 1 1 -22 1   32 o 57.772  6.0299  434.490    83.281   412.114    100.526  483.450    148.702  55.093  7.7329  56.662  11.213  -1.568958      13.62080 
1 1 1 -22 1   33 o 66.676  5.7119  574.480    91.516   515.703    110.053  706.224    164.766  61.832  7.4881  69.922  9.9961  -8.089878      12.48980 
1 1 1 -22 1   34 o 38.450  7.0909  200.611    63.717   180.923    85.860   224.744    95.059   34.988  9.7499  38.866  10.017  -3.877544      13.97853 
1 1 1 -22 1   35 o 37.841  7.1106  195.092    62.891   184.135    85.841   207.790    92.404   35.216  9.7252  37.245  10.010  -2.029026      13.95631 
1 1 1 -22 1   36 o 39.655  7.0683  214.265    65.518   215.732    91.397   212.713    93.969   37.951  9.8423  37.494  10.102  0.4570198      14.10378 
1 1 1 -22 1   37 o 22.922  9.3955  50.317     83.413   -88.9682   178.727  89.103     94.314   23.896  11.353  26.330  10.254  -2.434608      15.29823 
1 1 1 -22 1   38 o 25.800  10.068  85.890     91.069   181.513    174.776  50.253     106.698  33.138  13.594  24.274  10.332  8.864264       17.07458 
1 1 1 -22 1   39 f 18.501  8.4586  -23.9824   84.958   209.415    165.261  -107.8231  99.049   34.141  13.490  16.838  8.1177  17.30345       15.74403 
1 1 1 -22 1   40 o 19.814  7.8897  40.663     56.934   57.514     76.196   19.363     85.668   22.563  9.0779  20.695  9.0341  1.867643       12.80712 
1 1 1 -22 1   41 o 49.616  5.7918  328.983    68.414   311.279    95.560   347.599    97.990   45.505  8.9735  48.477  8.6479  -2.971767      12.46234 
1 1 1 -22 1   42 o 28.512  8.3063  122.660    60.972   110.811    81.818   137.460    91.437   26.794  9.7355  29.038  10.324  -2.243879      14.19011 
1 1 1 -22 1   43 o 18.313  7.5996  28.601     55.477   13.683     75.787   45.822     81.429   19.100  8.4130  21.534  9.0895  -2.433876      12.38533 
1 1 1 -22 1   44 o 49.546  6.2950  339.739    73.970   403.268    97.993   255.592    112.778  52.191  7.9925  37.342  11.401  14.84967       13.92382 
1 1 1 -22 1   45 o 50.397  8.8679  395.428    104.479  501.849    239.853  370.507    116.070  40.238  16.135  46.604  10.514  -6.366718      19.25882 
1 1 1 -22 1   46 o 22.942  8.3899  78.460     60.905   166.140    77.679   -61.4522   98.126   31.491  9.4285  17.436  8.3200  14.05459       12.57452 
1 1 1 -22 1   47 o 39.927  9.2028  258.814    87.327   222.727    99.818   376.539    180.289  34.909  10.738  38.313  14.357  -3.404053      17.92814 
1 1 1 -22 1   48 o 19.411  8.3231  32.047     70.155   37.253     80.664   15.881     142.139  20.440  8.8455  22.630  10.553  -2.189186      13.76995 
1 1 1 -22 1   49 o 35.712  7.8828  194.053    66.478   230.557    86.718   142.022    103.530  37.176  9.5598  28.013  10.789  9.163710       14.41517 
1 1 1 -22 1   50 o 48.486  6.4470  331.317    73.967   342.187    96.503   315.837    115.161  46.601  8.8583  41.529  11.180  5.071972       14.26441 
1 1 1 -22 1   51 o 27.549  11.118  139.997    114.683  350.414    222.205  63.597     133.894  34.044  14.707  23.960  10.821  10.08470       18.25883 
1 1 1 -22 1   52 o 34.477  11.789  245.356    118.568  262.122    247.392  240.357    135.094  29.993  13.965  32.802  12.399  -2.808319      18.67521 
1 1 1 -22 1   53 o 28.149  10.939  158.536    107.164  219.530    248.494  144.600    118.777  28.143  13.375  26.949  11.146  1.194246       17.41105 
1 1 1 -22 2   1  o 58.532  4.3461  425.417    61.284   383.879    86.388   467.500    86.952   54.750  6.6386  60.776  5.9736  -6.025333      8.930534 
1 1 1 -22 2   2  o 15.130  6.3154  7.5748     38.633   -47.0663   56.754   54.757     52.738   14.381  6.6936  21.944  7.8362  -7.562990      10.30588 
1 1 1 -22 2   3  o 26.245  6.7967  90.198     43.626   122.596    63.604   61.414     59.951   30.352  8.3669  23.247  8.3493  7.105377       11.82012 
1 1 1 -22 2   4  o 53.050  4.5266  349.867    57.709   311.728    82.887   385.747    80.396   49.170  7.1575  55.202  6.1044  -6.032539      9.407133 
1 1 1 -22 2   5  o 86.376  4.0714  917.755    85.330   850.885    121.648  982.525    119.724  82.247  6.1399  88.673  5.5932  -6.425011      8.305551 
1 1 1 -22 2   6  o 96.799  4.1192  1152.59    96.749   1071.42    138.751  1229.40    134.975  92.328  6.2300  99.238  5.6286  -6.909927      8.396092 
1 1 1 -22 2   7  o 40.292  5.6623  205.639    53.829   181.127    80.830   225.173    72.157   36.742  9.1113  41.623  7.4166  -4.880405      11.74830 
1 1 1 -22 2   8  o 35.049  8.1199  162.558    67.699   83.799     76.095   461.552    148.266  26.640  9.4236  58.283  10.885  -31.64259      14.39714 
1 1 1 -22 2   9  o 30.878  9.5602  125.129    78.977   117.943    93.085   143.592    149.213  30.598  10.446  34.791  13.056  -4.192589      16.72081 
1 1 1 -22 2   10 o 45.411  8.1988  270.211    87.015   279.168    102.276  246.734    165.582  45.636  9.5434  41.995  13.930  3.640869       16.88538 
1 1 1 -22 2   11 o 42.274  8.6842  236.885    86.096   261.681    100.833  170.166    165.402  44.090  9.6897  37.029  13.776  7.061562       16.84217 
1 1 1 -22 2   12 o 21.834  7.9947  50.993     55.328   2.9708     73.008   115.780    84.799   19.781  8.4865  30.092  9.9680  -10.31062      13.09123 
1 1 1 -22 2   13 o 37.564  9.1586  189.455    82.723   189.455    82.723   0.0000     0.0000   37.564  9.1586  ?       ?       0.000000       9.158594 
1 1 1 -22 2   14 o 93.221  6.1142  1090.88    137.531  1090.88    137.531  0.0000     0.0000   93.221  6.1142  ?       ?       0.000000       6.114169 
1 1 1 -22 2   15 o 94.618  6.4406  1128.74    146.985  1128.74    146.985  0.0000     0.0000   94.618  6.4406  ?       ?       0.000000       6.440571 
1 1 1 -22 2   16 f 43.858  8.2540  253.890    84.615   305.080    99.007   115.204    162.962  47.922  8.8403  33.516  13.347  14.40658       16.00931 
1 1 1 -22 2   17 f 36.594  9.5430  182.020    85.612   80.684     212.017  201.762    93.581   34.272  14.576  38.398  9.9597  -4.125656      17.65376 
1 1 1 -22 2   18 o 35.764  10.085  175.257    91.292   179.389    215.678  174.354    100.763  38.576  15.357  35.623  10.755  2.952442       18.74872 
1 1 1 -22 2   19 o 59.440  7.5731  458.451    106.742  361.812    239.619  482.376    119.225  47.956  16.741  60.596  8.3291  -12.63995      18.69879 
1 1 1 -22 2   20 o 43.342  5.8076  239.434    59.540   250.989    93.362   231.513    77.299   42.971  9.2298  41.793  7.9123  1.177193       12.15701 
1 1 1 -22 2   21 o 13.635  6.2738  -32.1780   47.765   -132.9984  77.073   30.691     60.862   14.062  6.8672  20.243  8.1242  -6.180940      10.63772 
1 1 1 -22 2   22 o 111.187 4.3115  1531.24    116.316  1497.88    169.487  1560.94    159.922  108.419 6.4722  111.091 5.9546  -2.672348      8.794701 
1 1 1 -22 2   23 o 67.213  4.7424  565.269    76.846   548.672    115.761  578.346    102.752  64.774  7.5044  67.181  6.3800  -2.406898      9.849945 
1 1 1 -22 2   24 o 40.238  6.6843  211.952    62.972   219.588    97.716   206.528    82.354   39.348  10.163  38.697  8.9493  0.6514091      13.54182 
1 1 1 -22 2   25 o 55.189  7.2480  400.347    94.712   0.0000     0.0000   400.347    94.712   ?       ?       55.189  7.2480  0.000000       7.248010 
1 1 1 -22 2   26 o 26.082  9.2803  86.082     73.902   0.0000     0.0000   86.082     73.902   ?       ?       26.082  9.2803  0.000000       9.280268 
1 1 1 -22 2   27 o 33.138  9.1800  154.799    76.353   0.0000     0.0000   154.799    76.353   ?       ?       33.138  9.1800  0.000000       9.180038 
1 1 1 -22 2   28 o 57.352  5.5062  420.952    75.682   550.538    122.265  340.457    96.363   63.883  8.0677  49.967  8.2350  13.91598       11.52833 
1 1 1 -22 2   29 o 36.765  6.4644  179.109    55.561   186.744    76.063   170.376    81.355   36.428  8.7212  34.440  9.4500  1.988564       12.85928 
1 1 1 -22 2   30 f 34.316  7.8352  162.708    63.805   161.952    75.894   164.532    117.832  33.656  9.0829  33.254  11.731  0.4010582      14.83591 
1 1 1 -22 2   31 o 42.189  7.0643  239.278    69.759   238.861    83.373   240.251    127.378  41.223  8.6129  38.940  12.155  2.283157       14.89741 
1 1 1 -22 2   32 o 21.401  7.7954  54.979     52.505   36.456     60.232   113.596    107.147  20.206  8.0918  29.052  11.027  -8.845440      13.67774 
1 1 1 -22 2   33 o 38.638  5.9704  196.484    54.169   119.566    70.651   306.196    84.378   28.969  9.0543  47.386  7.5952  -18.41681      11.81806 
1 1 1 -22 2   34 o 43.164  6.3774  247.313    64.782   284.224    89.009   205.737    94.465   44.958  8.4703  36.979  10.198  7.978241       13.25678 
1 1 1 -22 2   35 o 46.591  6.2207  287.102    68.568   268.822    93.817   308.063    100.462  43.012  9.2632  46.098  9.3024  -3.086033      13.12793 
1 1 1 -22 2   36 o 31.139  7.9654  137.637    60.426   120.650    82.662   157.130    88.553   28.780  9.8437  32.203  10.148  -3.422955      14.13803 
1 1 1 -22 2   37 o 17.684  8.1872  -40.7254   83.179   -75.5623   160.860  -28.0110   97.180   23.029  10.891  19.682  9.0164  3.346794       14.13887 
1 1 1 -22 2   38 o 25.196  9.8526  81.276     87.349   143.870    188.812  64.231     98.527   31.373  13.555  24.539  10.151  6.834261       16.93437 
1 1 1 -22 2   39 o 37.458  7.3824  197.539    64.712   212.577    92.069   182.856    90.974   36.785  10.036  33.938  10.213  2.847118       14.31889 
1 1 1 -22 2   40 o 30.290  8.0472  134.951    60.147   192.690    83.217   71.796     87.033   35.162  9.5201  24.083  9.6976  11.07846       13.58957 
1 1 1 -22 2   41 o 44.467  6.3821  270.870    66.886   262.348    92.354   280.271    96.998   41.048  9.4660  42.267  9.6679  -1.218750      13.53041 
1 1 1 -22 2   42 o 43.292  6.7190  261.750    68.292   304.969    92.839   210.791    100.811  44.739  8.8656  34.967  10.797  9.771889       13.97047 
1 1 1 -22 2   43 o 35.267  7.6284  183.314    63.379   111.818    86.900   264.564    92.638   26.498  9.9599  40.577  9.5652  -14.07924      13.80919 
1 1 1 -22 2   44 o 32.374  10.268  182.119    90.549   272.793    222.044  164.033    99.169   32.504  14.354  30.266  10.752  2.237673       17.93478 
1 1 1 -22 2   45 o 24.023  9.5418  86.270     83.084   -22.7073   204.387  107.843    90.936   24.034  11.605  25.738  10.056  -1.703979      15.35617 
1 1 1 -22 2   46 o 34.414  9.6648  200.711    84.027   208.545    95.346   173.472    177.801  34.048  10.498  28.850  12.788  5.197140       16.54491 
1 1 1 -22 2   47 o 25.582  9.4579  107.210    77.726   108.724    87.653   101.638    168.143  25.643  9.9132  26.169  11.939  -0.5262070     15.51822 
1 1 1 -22 2   48 o 39.166  7.2968  225.950    66.792   301.259    89.483   131.201    100.369  43.757  8.7340  27.239  10.586  16.51801       13.72414 
1 1 1 -22 2   49 o 23.871  8.2526  87.425     58.160   85.905     79.802   89.146     84.939   23.850  9.3898  24.183  9.6343  -0.3330994     13.45320 
1 1 1 -22 2   50 o 25.490  10.368  106.191    100.604  -509.5721  240.260  237.110    110.783  18.945  9.6311  35.062  11.383  -16.11745      14.91046 
1 1 1 -22 2   51 o 30.129  10.854  172.682    101.390  220.665    269.578  164.776    109.424  29.126  13.868  29.169  11.127  -0.4311943E-01 17.77991 
1 1 1 -22 2   52 o 18.986  8.6306  8.7181     86.850   -49.1666   237.637  17.642     93.305   23.514  11.598  19.827  8.9866  3.687185       14.67195 
1 1 1 -22 3   1  f 21.270  7.2128  54.501     44.378   -8.3724    67.430   102.542    58.942   18.213  7.9809  27.866  8.1809  -9.652996      11.42901 
1 1 1 -22 3   2  o 25.709  7.1102  86.568     45.845   94.800     68.733   79.970     61.531   27.257  8.9716  25.334  8.4937  1.922800       12.35443 
1 1 1 -22 3   3  o 18.634  6.9015  35.463     41.424   26.322     66.427   41.280     52.988   20.628  8.4116  20.522  7.7632  0.1055374      11.44654 
1 1 1 -22 3   4  o 27.751  6.8693  100.914    46.007   120.451    73.281   88.205     59.107   30.195  9.1842  26.229  8.2937  3.965513       12.37475 
1 1 1 -22 3   5  o 56.918  4.7617  403.149    65.158   380.391    96.876   421.948    88.049   54.261  7.5638  57.673  6.4000  -3.411716      9.908112 
1 1 1 -22 3   6  o 100.755 4.2669  1250.06    104.314  1268.57    151.264  1233.26    144.045  100.486 6.2347  99.192  6.0133  1.294479       8.662029 
1 1 1 -22 3   7  o 19.454  8.2923  5.9095     68.900   71.229     79.545   -190.3159  137.870  25.699  9.5547  19.735  9.5299  5.964497       13.49489 
1 1 1 -22 3   8  f 19.685  8.5814  -6.4296    77.063   -37.9606   92.272   66.276     140.115  19.857  8.9742  29.704  12.176  -9.846487      15.12622 
1 1 1 -22 3   9  o 73.402  6.7122  682.131    118.223  651.487    145.466  741.753    202.903  70.767  8.6519  73.619  11.754  -2.852455      14.59506 
1 1 1 -22 3   10 o 75.441  6.7210  720.375    121.741  709.663    150.002  741.048    208.381  73.970  8.5128  73.316  12.138  0.6537476      14.82592 
1 1 1 -22 3   11 o 25.736  8.2220  83.951     57.975   29.870     82.193   137.498    81.787   22.668  9.3131  32.172  9.6841  -9.503839      13.43561 
1 1 1 -22 3   12 o 33.600  9.8868  151.402    86.001   151.402    86.001   0.0000     0.0000   33.600  9.8868  ?       ?       0.000000       9.886816 
1 1 1 -22 3   13 o 103.348 6.3301  1343.14    157.970  1343.14    157.970  0.0000     0.0000   103.348 6.3301  ?       ?       0.000000       6.330060 
1 1 1 -22 3   14 o 59.827  7.6427  461.790    108.410  461.790    108.410  0.0000     0.0000   59.827  7.6427  ?       ?       0.000000       7.642696 
1 1 1 -22 3   15 o 34.078  9.2540  156.498    78.493   85.451     89.099   402.759    165.881  27.471  10.132  52.933  13.008  -25.46225      16.48851 
1 1 1 -22 3   16 o 31.987  10.050  136.342    86.918   98.713     220.844  143.239    94.549   35.431  14.963  32.766  10.503  2.664619       18.28135 
1 1 1 -22 3   17 o 26.852  9.8779  82.290     84.602   107.586    208.456  77.302     92.569   35.101  14.662  26.952  10.245  8.148663       17.88712 
1 1 1 -22 3   18 o 23.814  9.6096  43.561     85.654   209.126    224.654  15.399     92.653   40.072  15.762  22.620  9.6284  17.45182       18.46985 
1 1 1 -22 3   19 o 16.617  7.6707  -48.5371   72.237   -90.9876   208.250  -42.7307   77.019   27.935  12.940  17.553  8.0356  10.38211       15.23233 
1 1 1 -22 3   20 o 45.358  5.7828  262.080    62.195   221.035    97.200   290.536    80.933   39.876  10.050  47.164  7.3085  -7.288364      12.42613 
1 1 1 -22 3   21 o 30.099  7.7527  121.506    56.966   162.323    90.193   94.417     73.476   34.202  10.141  27.193  9.2807  7.009708       13.74693 
1 1 1 -22 3   22 o 35.660  7.1047  168.261    59.315   219.089    92.259   132.449    77.441   39.666  9.6728  31.124  9.4356  8.542038       13.51272 
1 1 1 -22 3   23 o 99.071  4.4128  1219.41    106.079  1380.08    156.446  1082.68    144.323  104.035 6.2262  91.895  6.5148  12.13969       9.011530 
1 1 1 -22 3   24 o 100.702 6.1579  1295.06    149.743  0.0000     0.0000   1295.06    149.743  ?       ?       100.702 6.1579  0.000000       6.157928 
1 1 1 -22 3   25 o 36.002  10.988  188.460    104.760  0.0000     0.0000   188.460    104.760  ?       ?       36.002  10.988  0.000000       10.98785 
1 1 1 -22 3   26 o 43.133  8.4464  255.219    85.235   0.0000     0.0000   255.219    85.235   ?       ?       43.133  8.4464  0.000000       8.446439 
1 1 1 -22 3   27 o 58.428  5.3498  435.269    75.002   530.469    119.316  373.078    96.438   62.775  8.0165  52.678  7.7789  10.09674       11.17031 
1 1 1 -22 3   28 o 23.012  7.6998  68.577     50.566   70.906     68.056   65.707     75.551   24.134  8.8623  24.112  9.2341  0.2189064E-01  12.79874 
1 1 1 -22 3   29 o 80.733  4.2982  817.085    83.895   823.119    115.679  810.390    121.853  79.818  6.0172  78.864  6.4236  0.9539948      8.801710 
1 1 1 -22 3   30 o 74.357  5.8171  713.373    104.115  732.609    127.674  675.188    179.884  74.229  7.1783  67.016  11.475  7.213120       13.53533 
1 1 1 -22 3   31 f 24.924  8.1193  84.056     56.349   99.238     63.945   31.301     119.199  26.783  8.6433  24.703  10.721  2.079908       13.77148 
1 1 1 -22 3   32 o 26.443  7.4825  96.430     50.167   64.561     65.595   141.339    77.867   23.182  8.6651  31.204  9.4619  -8.021070      12.83015 
1 1 1 -22 3   33 o 19.045  7.7702  27.807     56.718   61.289     77.826   -10.1191   82.830   23.607  9.2796  19.338  8.6397  4.268749       12.67897 
1 1 1 -22 3   34 o 20.499  8.0889  41.713     59.347   19.476     78.682   71.062     90.391   20.596  8.8224  25.026  9.9486  -4.429363      13.29696 
1 1 1 -22 3   35 o 12.748  6.1490  -76.7877   57.007   -122.9895  77.369   -21.9130   84.318   14.050  6.8655  18.782  8.5245  -4.731503      10.94547 
1 1 1 -22 3   36 o 47.250  9.4071  327.989    104.059  542.837    194.579  241.928    123.150  54.753  14.439  38.238  11.954  16.51524       18.74572 
1 1 1 -22 3   37 o 33.407  10.283  173.905    91.517   247.286    184.317  149.895    105.431  36.312  14.279  30.979  11.078  5.333498       18.07204 
1 1 1 -22 3   38 o 29.255  10.474  131.499    94.277   87.780     182.751  147.354    110.051  28.824  12.859  30.475  11.257  -1.650553      17.08986 
1 1 1 -22 3   39 o 52.946  5.5423  369.977    70.147   326.995    98.768   413.725    99.644   46.833  9.0188  53.983  7.8362  -7.150658      11.94760 
1 1 1 -22 3   40 o 60.218  5.2993  476.720    76.641   419.530    106.787  537.472    110.062  53.409  8.5270  61.696  7.5069  -8.286751      11.36062 
1 1 1 -22 3   41 o 23.905  8.2839  82.858     58.617   157.992    81.035   0.3985     84.893   31.298  9.6829  19.276  8.6692  12.02138       12.99671 
1 1 1 -22 3   42 o 21.405  8.1701  60.151     59.020   57.578     79.076   63.387     88.680   22.177  9.1258  23.039  9.5885  -0.8615551     13.23707 
1 1 1 -22 3   43 o 14.890  6.7716  -14.3302   53.536   -109.2599  74.358   87.841     77.142   13.626  6.6735  24.282  9.3232  -10.65627      11.46554 
1 1 1 -22 3   44 o 23.607  9.3512  81.202     79.598   491.043    217.638  17.916     85.523   41.591  15.733  19.796  8.8165  21.79438       18.03516 
1 1 1 -22 3   45 o 35.009  7.8728  186.509    65.254   52.943     88.156   348.389    97.051   21.843  9.3470  47.095  8.8171  -25.25156      12.84938 
1 1 1 -22 3   46 o 19.744  8.5173  32.842     74.318   13.324     83.408   108.034    163.710  19.261  8.6329  26.323  11.920  -7.062382      14.71765 
1 1 1 -22 3   47 o 16.889  7.8131  -20.8051   75.541   36.192     85.524   -223.0858  161.115  20.649  9.0199  18.246  9.0925  2.402966       12.80752 
1 1 1 -22 3   48 o 18.765  7.7084  36.771     56.299   -3.9281    76.496   84.867     83.158   17.824  8.1012  23.802  9.5163  -5.978579      12.49762 
1 1 1 -22 3   49 o 18.386  7.6900  31.208     57.442   65.526     75.795   -15.1028   88.047   22.131  9.0004  18.288  8.4514  3.842556       12.34638 
1 1 1 -22 3   50 o 24.019  9.9112  86.866     93.593   319.821    241.637  45.748     101.518  32.194  14.539  21.923  9.6926  10.27053       17.47325 
1 1 1 -22 3   51 o 17.594  8.1934  -21.1323   85.214   -6.4538    235.384  -23.3461   91.415   24.344  11.912  18.008  8.4195  6.336369       14.58735 
1 1 1 -22 3   52 o 29.558  11.025  178.465    106.074  677.804    258.600  77.455     116.309  41.424  16.704  23.357  10.348  18.06743       19.64924 
1 1 1 -22 4   1  o 41.635  5.7399  220.569    56.444   287.075    81.984   160.637    77.827   46.929  7.4487  34.411  9.1594  12.51843       11.80579 
1 1 1 -22 4   2  o 17.882  7.0635  24.733     45.297   -1.1361    66.953   46.569     61.513   18.646  8.0639  21.865  8.3419  -3.218870      11.60232 
1 1 1 -22 4   3  o 14.563  6.4216  -10.2713   44.274   -45.4791   67.878   15.798     58.409   16.199  7.4629  18.797  7.7989  -2.597942      10.79435 
1 1 1 -22 4   4  o 44.180  5.4518  246.262    57.203   255.659    84.892   238.446    77.417   44.016  8.2519  42.660  7.7652  1.355392       11.33100 
1 1 1 -22 4   5  o 47.208  5.2763  279.932    59.404   306.253    87.785   257.697    80.684   48.525  7.7138  44.410  7.7707  4.115234       10.94930 
1 1 1 -22 4   6  o 94.747  5.3749  1118.59    123.056  1099.61    143.356  1171.73    239.882  93.448  6.3603  93.423  10.780  0.2465820E-01  12.51656 
1 1 1 -22 4   7  o 89.835  6.4957  1017.73    140.636  1039.92    174.278  976.293    238.123  89.901  8.0755  84.338  11.972  5.563492       14.44137 
1 1 1 -22 4   8  o 97.541  6.3942  1197.32    150.497  1215.03    188.913  1166.55    248.985  97.236  8.0802  92.890  11.278  4.346214       13.87395 
1 1 1 -22 4   9  o 115.878 6.2930  1686.01    176.275  1734.09    223.751  1607.34    286.203  116.349 7.9738  109.527 10.915  6.821922       13.51706 
1 1 1 -22 4   10 o 89.565  4.3178  988.040    93.834   1002.57    135.368  974.606    130.187  89.274  6.2894  88.094  6.1288  1.180489       8.781726 
1 1 1 -22 4   11 o 89.199  6.2718  1000.92    134.878  1000.92    134.878  0.0000     0.0000   89.199  6.2718  ?       ?       0.000000       6.271757 
1 1 1 -22 4   12 o 84.215  6.5590  896.080    132.971  896.080    132.971  0.0000     0.0000   84.215  6.5590  ?       ?       0.000000       6.559031 
1 1 1 -22 4   13 o 56.984  8.1402  422.958    109.354  422.958    109.354  0.0000     0.0000   56.984  8.1402  ?       ?       0.000000       8.140249 
1 1 1 -22 4   14 o 45.167  8.3515  269.417    88.155   221.923    101.786  411.973    176.345  40.182  10.370  53.163  13.612  -12.98093      17.11192 
1 1 1 -22 4   15 o 15.008  7.2779  -128.3009  82.471   -128.3009  82.471   0.0000     0.0000   15.008  7.2779  ?       ?       0.000000       7.277881 
1 1 1 -22 4   16 o 33.531  9.8463  152.477    85.374   337.304    175.575  95.243     97.702   47.622  14.156  28.676  10.603  18.94553       17.68696 
1 1 1 -22 4   17 o 55.751  7.9772  406.615    104.835  370.920    221.048  416.974    119.079  48.748  16.091  55.890  9.0935  -7.141926      18.48277 
1 1 1 -22 4   18 o 41.874  9.6349  240.325    95.859   85.976     224.666  274.678    105.991  34.672  14.881  44.641  10.030  -9.968571      17.94584 
1 1 1 -22 4   19 o 23.548  7.9928  68.391     54.495   55.370     88.870   76.237     68.988   24.853  9.8694  25.222  8.9673  -0.3688164     13.33479 
1 1 1 -22 4   20 o 16.234  6.9957  -0.0444    50.031   32.015     81.081   -19.7563   63.577   22.417  9.2345  16.891  7.5563  5.525415       11.93203 
1 1 1 -22 4   21 o 34.088  7.2061  154.316    57.738   139.223    87.358   166.023    76.938   31.869  10.083  34.742  9.0401  -2.873499      13.54247 
1 1 1 -22 4   22 o 79.471  4.5661  788.112    87.677   824.632    131.836  759.150    117.403  79.931  6.8642  77.012  6.3391  2.918831       9.343546 
1 1 1 -22 4   23 o 49.870  5.8599  318.720    69.556   362.129    115.171  293.796    87.268   51.073  9.6473  46.837  7.9641  4.235538       12.50986 
1 1 1 -22 4   24 o 68.129  6.6185  601.053    108.029  0.0000     0.0000   601.053    108.029  ?       ?       68.129  6.6185  0.000000       6.618532 
1 1 1 -22 4   25 o 35.228  9.2668  174.980    80.274   0.0000     0.0000   174.980    80.274   ?       ?       35.228  9.2668  0.000000       9.266826 
1 1 1 -22 4   26 o 18.177  7.8935  1.4155     64.685   36.428     219.152  -1.9259    67.702   30.957  13.925  18.333  8.0163  12.62355       16.06756 
1 1 1 -22 4   27 o 33.374  7.9385  153.620    63.350   202.530    103.499  124.319    80.108   36.904  10.842  29.769  9.6801  7.134872       14.53490 
1 1 1 -22 4   28 o 15.038  6.4894  0.8601     43.173   -27.3086   54.992   46.117     69.704   14.934  6.8191  21.980  8.7369  -7.046135      11.08300 
1 1 1 -22 4   29 f 42.941  7.0038  247.021    70.460   294.087    81.902   112.988    138.211  46.630  7.4925  30.193  12.199  16.43699       14.31579 
1 1 1 -22 4   30 o 31.676  7.9593  140.084    61.099   173.471    71.223   47.052     118.891  35.046  8.4698  25.508  10.883  9.538126       13.79071 
1 1 1 -22 4   31 o 19.056  7.6682  30.327     54.377   30.744     63.252   29.145     106.451  20.001  8.1880  23.626  10.193  -3.625063      13.07423 
1 1 1 -22 4   32 o 29.823  8.4218  126.200    63.620   132.522    87.515   119.115    92.649   30.180  10.130  29.029  10.384  1.151691       14.50658 
1 1 1 -22 4   33 f 33.540  8.1536  159.074    65.710   138.727    90.070   182.225    96.076   30.656  10.276  34.599  10.514  -3.943171      14.70217 
1 1 1 -22 4   34 o 43.954  6.4629  257.841    66.868   239.348    91.735   278.805    97.675   40.266  9.5363  43.584  9.5040  -3.318176      13.46360 
1 1 1 -22 4   35 o 24.378  8.5231  80.241     62.118   95.512     81.260   58.771     96.353   26.414  9.6863  24.332  10.050  2.082479       13.95771 
1 1 1 -22 4   36 o 45.778  9.2800  308.687    99.550   457.177    194.980  256.331    115.778  48.516  15.021  39.689  11.413  8.827541       18.86515 
1 1 1 -22 4   37 o 19.695  8.6941  5.7637     81.371   60.482     181.085  -8.0802    91.084   27.938  12.604  19.876  8.9555  8.062201       15.46171 
1 1 1 -22 4   38 o 38.713  7.4430  211.585    67.375   267.835    89.672   138.664    102.099  42.362  9.0017  29.633  10.859  12.72864       14.10479 
1 1 1 -22 4   39 o 32.145  8.4755  154.860    67.050   165.868    90.888   141.714    99.317   31.947  10.304  29.604  10.731  2.342474       14.87693 
1 1 1 -22 4   40 o 19.959  8.0289  42.310     59.593   85.882     84.704   -0.3955    83.857   24.786  9.6995  19.191  8.6248  5.595510       12.97955 
1 1 1 -22 4   41 o 11.696  5.7096  -82.3740   53.148   -139.2484  71.060   -10.1598   80.071   12.474  6.1865  18.217  8.2832  -5.742603      10.33851 
1 1 1 -22 4   42 o 32.916  8.0930  164.408    64.184   94.294     87.086   247.782    94.964   25.037  9.8243  38.566  10.048  -13.52908      14.05240 
1 1 1 -22 4   43 o 24.812  9.4770  95.392     79.447   169.652    214.658  83.605     85.520   29.154  13.372  23.985  9.6288  5.169432       16.47791 
1 1 1 -22 4   44 o 21.955  8.3955  68.160     62.395   103.425    86.957   30.734     89.582   25.333  9.8514  20.674  9.1243  4.659424       13.42765 
1 1 1 -22 4   45 o 21.012  8.8236  50.195     76.097   -1.6727    85.465   248.632    167.167  18.672  8.5161  32.229  13.266  -13.55685      15.76430 
1 1 1 -22 4   46 o 38.393  9.5877  246.694    89.048   273.824    101.503  156.047    185.536  39.383  10.449  28.047  12.696  11.33632       16.44307 
1 1 1 -22 4   47 o 38.025  7.8050  218.876    69.600   210.170    96.300   228.397    100.706  34.020  10.561  35.266  10.775  -1.246632      15.08746 
1 1 1 -22 4   48 o 17.054  7.3832  15.310     56.247   -59.7495   76.571   103.277    82.894   15.388  7.3446  25.238  9.6707  -9.849957      12.14349 
1 1 1 -22 4   49 f 22.538  9.5649  64.100     90.956   -24.4675   235.720  79.593     98.591   24.501  11.975  23.725  10.007  0.7763348      15.60583 
1 1 1 -22 4   50 o 35.260  11.350  243.973    110.314  521.027    258.353  182.198    121.994  37.424  16.007  29.775  11.644  7.649567       19.79411 
1 1 1 -22 4   51 o 21.160  9.3833  43.390     95.841   -9.9014    241.929  53.310     104.381  24.071  11.839  22.005  9.7735  2.066303       15.35223 
1 1 1 -22 5   1  o 70.233  4.3342  611.438    73.500   636.130    103.007  585.826    104.909  70.946  6.0413  67.876  6.4473  3.069885       8.835398 
1 1 1 -22 5   2  o 50.413  5.0624  318.593    61.089   300.540    86.130   336.867    86.657   47.985  7.6548  51.054  7.1949  -3.069199      10.50536 
1 1 1 -22 5   3  o 25.055  7.4038  81.506     48.137   59.285     69.974   101.469    66.325   23.809  8.9398  27.929  8.7798  -4.120245      12.53014 
1 1 1 -22 5   4  o 33.971  7.0130  150.881    55.891   276.115    79.354   27.596     78.734   46.139  7.3336  22.073  9.0972  24.06658       11.68505 
1 1 1 -22 5   5  o 68.642  5.7570  591.708    95.001   523.597    105.986  870.119    214.281  64.055  6.9296  79.814  11.388  -15.75840      13.33032 
1 1 1 -22 5   6  o 34.805  10.073  164.025    89.928   169.148    103.076  147.698    184.013  35.320  10.920  36.239  14.261  -0.9188309     17.96174 
1 1 1 -22 5   7  o 32.001  10.249  135.001    90.042   154.231    102.782  71.535     186.725  33.999  10.957  32.745  13.790  1.254112       17.61270 
1 1 1 -22 5   8  o 56.563  7.7962  414.176    104.156  430.148    121.528  369.979    202.157  57.051  9.0836  49.743  15.278  7.307880       17.77434 
1 1 1 -22 5   9  o 51.512  5.3974  333.062    66.459   403.338    97.116   271.163    91.143   56.010  7.3212  45.261  8.6140  10.74900       11.30488 
1 1 1 -22 5   10 o 20.237  9.1749  -41.8161   97.325   -41.8161   97.325   0.0000     0.0000   20.237  9.1749  ?       ?       0.000000       9.174873 
1 1 1 -22 5   11 o 19.709  8.6341  -9.1666    78.862   -9.1666    78.862   0.0000     0.0000   19.709  8.6341  ?       ?       0.000000       8.634064 
1 1 1 -22 5   12 o 75.829  6.8419  730.943    124.529  730.943    124.529  0.0000     0.0000   75.829  6.8419  ?       ?       0.000000       6.841891 
1 1 1 -22 5   13 o 36.252  9.5708  178.459    85.427   191.529    98.174   137.704    173.357  37.349  10.432  35.153  13.840  2.196045       17.33096 
1 1 1 -22 5   14 o 30.146  9.0003  120.730    70.859   52.043     90.169   231.641    114.579  24.889  9.9231  40.709  11.233  -15.82008      14.98842 
1 1 1 -22 5   15 o 54.773  7.7040  390.255    99.557   247.473    193.489  441.667    116.106  41.669  14.996  57.916  8.5165  -16.24634      17.24561 
1 1 1 -22 5   16 o 68.250  6.7151  594.663    109.765  490.836    204.817  636.498    130.012  56.867  14.727  70.053  7.7802  -13.18602      16.65562 
1 1 1 -22 5   17 o 69.112  6.9959  613.209    115.700  428.689    217.324  686.195    136.680  52.113  15.808  72.624  7.8830  -20.51086      17.66480 
1 1 1 -22 5   18 o 43.460  6.1705  242.419    63.242   194.790    103.689  270.632    79.804   37.250  10.826  45.409  7.5053  -8.158638      13.17335 
1 1 1 -22 5   19 o 67.066  4.9722  563.325    80.336   552.718    125.550  570.679    104.539  64.764  8.1714  66.759  6.5376  -1.995041      10.46478 
1 1 1 -22 5   20 o 74.479  4.7469  693.065    85.338   682.083    132.924  700.765    111.305  72.220  7.7044  74.120  6.2472  -1.899651      9.918941 
1 1 1 -22 5   21 o 38.178  7.1413  192.786    63.721   262.774    100.501  145.736    82.402   43.382  9.7812  32.430  9.7111  10.95142       13.78326 
1 1 1 -22 5   22 o 60.912  5.3290  469.612    77.969   539.188    128.223  428.793    98.213   63.355  8.5603  57.205  7.2376  6.149643       11.20985 
1 1 1 -22 5   23 o 17.038  7.6239  -18.0068   64.763   0.0000     0.0000   -18.0068   64.763   ?       ?       17.038  7.6239  0.000000       7.623881 
1 1 1 -22 5   24 o 82.148  6.2591  868.264    123.821  0.0000     0.0000   868.264    123.821  ?       ?       82.148  6.2591  0.000000       6.259091 
1 1 1 -22 5   25 o 61.079  6.3674  484.072    92.978   570.381    254.901  470.827    99.859   55.459  17.176  59.827  7.0120  -4.367783      18.55207 
1 1 1 -22 5   26 o 75.072  4.9226  712.286    89.172   821.149    141.596  640.732    114.796  78.610  7.5151  69.888  6.8579  8.721703       10.17381 
1 1 1 -22 5   27 o 82.252  4.3121  847.799    85.761   741.507    121.024  955.011    121.546  75.237  6.6995  86.184  5.8469  -10.94644      8.892128 
1 1 1 -22 5   28 o 66.788  5.9677  577.547    95.691   596.108    116.644  539.347    167.341  66.838  7.3117  59.236  12.053  7.601501       14.09711 
1 1 1 -22 5   29 o 52.821  6.4806  367.563    81.317   399.844    97.889   295.687    146.068  54.326  7.6369  42.425  12.979  11.90138       15.05948 
1 1 1 -22 5   30 f 13.136  6.1695  -44.4055   50.029   -94.4535   56.502   137.258    107.648  12.066  5.8899  30.812  11.171  -18.74580      12.62895 
1 1 1 -22 5   31 o 21.375  7.4032  57.994     46.814   8.4534     58.808   143.696    77.348   17.746  7.6150  31.422  9.4085  -13.67640      12.10402 
1 1 1 -22 5   32 o 42.768  6.8294  245.934    68.487   209.585    92.518   290.000    101.867  37.433  9.9973  44.453  9.7155  -7.020176      13.94050 
1 1 1 -22 5   33 o 32.558  8.0232  149.938    62.974   89.417     86.569   217.958    91.776   26.213  9.9211  38.182  9.8434  -11.96905      13.97577 
1 1 1 -22 5   34 o 12.889  6.1574  -61.9735   54.074   -52.3396   71.729   -74.6560   82.300   15.850  7.4257  16.258  7.7183  -0.4081087     10.71041 
1 1 1 -22 5   35 o 43.205  9.5723  278.321    97.708   286.971    190.333  275.225    113.855  38.591  14.686  41.573  11.084  -2.982578      18.39917 
1 1 1 -22 5   36 o 34.908  10.365  191.870    94.171   473.038    198.186  109.875    107.025  48.736  15.153  27.901  10.907  20.83557       18.67069 
1 1 1 -22 5   37 o 14.641  6.7780  -32.5539   57.006   -69.7676   75.887   15.644     86.363   15.471  7.3640  20.603  9.0303  -5.132916      11.65223 
1 1 1 -22 5   38 o 20.797  8.0994  50.423     58.844   29.961     80.315   74.137     86.461   20.821  8.9158  24.227  9.6974  -3.406624      13.17309 
1 1 1 -22 5   39 o 19.543  8.0153  35.967     60.751   -34.2176   80.368   129.537    92.796   17.266  8.0127  28.465  10.364  -11.19907      13.10038 
1 1 1 -22 5   40 o 35.742  7.9357  189.037    67.028   164.952    89.628   219.601    100.966  31.419  10.240  35.765  10.759  -4.346621      14.85285 
1 1 1 -22 5   41 o 21.823  8.3639  63.741     62.014   58.459     82.001   70.799     94.784   22.317  9.2485  23.687  9.8902  -1.370417      13.54071 
1 1 1 -22 5   42 o 25.414  8.4459  99.916     60.861   33.371     84.430   171.895    87.809   20.671  8.9975  31.584  10.122  -10.91282      13.54273 
1 1 1 -22 5   43 o 12.317  5.9379  -62.6491   52.987   32.784     74.173   -162.1061  75.720   19.814  8.5283  12.362  6.1719  7.452098       10.52733 
1 1 1 -22 5   44 o 13.805  6.6824  -78.6403   68.772   -88.4561   76.678   -38.2682   155.506  14.403  6.9920  21.652  10.370  -7.249729      12.50726 
1 1 1 -22 5   45 o 27.279  9.7883  127.894    82.379   156.599    92.946   22.734     177.897  29.381  10.413  23.975  11.372  5.405977       15.41881 
1 1 1 -22 5   46 o 13.904  6.4864  -29.9721   53.781   -98.0916   74.135   45.702     78.138   13.795  6.7366  20.782  8.8438  -6.986253      11.11733 
1 1 1 -22 5   47 f 16.345  7.2144  5.8023     56.013   85.674     76.663   -85.6642   82.039   23.725  9.2433  15.072  7.2963  8.653500       11.77602 
1 1 1 -22 5   48 o 20.833  8.1321  58.210     59.426   28.764     79.028   96.523     90.147   19.790  8.6570  24.699  9.8963  -4.908493      13.14835 
1 1 1 -22 5   49 o 14.315  7.0368  -120.6854  85.052   65.538     220.212  -153.3351  92.207   25.688  12.313  14.244  7.0611  11.44392       14.19394 
1 1 1 -22 5   50 o 20.910  9.1805  42.574     89.599   -0.0018    240.558  49.431     96.546   24.381  11.954  21.596  9.5045  2.785784       15.27204 
1 1 1 -22 5   51 o 17.512  8.2404  -26.3120   90.013   -387.6585  234.624  36.051     97.471   19.083  9.6831  20.654  9.2889  -1.570196      13.41816 
1 1 1 -22 6   1  o 15.153  6.5547  -2.5486    44.260   58.603     64.922   -55.6499   60.498   23.279  8.6364  14.541  6.8146  8.738449       11.00121 
1 1 1 -22 6   2  o 27.958  7.3766  103.243    50.767   127.843    73.664   80.991     70.061   30.903  9.1655  25.864  9.0512  5.039501       12.88139 
1 1 1 -22 6   3  o 32.606  6.8725  139.127    52.657   83.342     74.709   194.201    74.232   26.379  9.3367  38.185  8.2525  -11.80597      12.46108 
1 1 1 -22 6   4  o 65.508  7.1069  549.610    111.151  559.182    131.359  525.479    208.569  65.377  8.4805  59.388  14.581  5.989136       16.86798 
1 1 1 -22 6   5  o 62.552  7.3948  503.376    110.065  478.480    129.512  568.110    208.836  60.076  9.1757  62.236  14.150  -2.159401      16.86435 
1 1 1 -22 6   6  o 66.169  7.1058  559.952    112.299  591.462    131.208  473.652    217.141  67.479  8.1808  55.816  15.488  11.66296       17.51565 
1 1 1 -22 6   7  o 33.629  10.083  152.393    88.787   178.968    100.343  56.537     190.570  36.184  10.689  32.245  13.769  3.938560       17.43082 
1 1 1 -22 6   8  o 108.756 4.3394  1458.29    114.511  1574.18    162.202  1343.14    161.686  112.044 5.9880  103.177 6.4915  8.866501       8.831501 
1 1 1 -22 6   9  o 28.019  9.9335  94.602     84.598   94.602     84.598   0.0000     0.0000   28.019  9.9335  ?       ?       0.000000       9.933466 
1 1 1 -22 6   10 o 67.583  6.7935  581.453    109.893  581.453    109.893  0.0000     0.0000   67.583  6.7935  ?       ?       0.000000       6.793475 
1 1 1 -22 6   11 o 62.458  9.1316  516.217    134.301  516.217    134.301  0.0000     0.0000   62.458  9.1316  ?       ?       0.000000       9.131644 
1 1 1 -22 6   12 o 66.055  6.3648  553.118    100.750  475.121    112.216  877.354    228.792  60.516  7.8255  79.255  12.296  -18.73857      14.57474 
1 1 1 -22 6   13 o 28.794  9.8510  104.742    82.785   92.578     91.016   163.021    199.214  28.105  10.260  37.300  14.788  -9.194958      17.99834 
1 1 1 -22 6   14 o 20.282  8.5695  12.909     72.490   -212.8387  150.407  81.213     82.733   20.265  9.8274  26.619  9.7718  -6.353918      13.85880 
1 1 1 -22 6   15 o 23.874  9.1666  56.676     74.571   222.259    158.025  9.2408     84.581   39.561  13.608  21.384  9.1530  18.17696       16.39946 
1 1 1 -22 6   16 o 27.100  9.5364  90.382     77.831   236.636    164.632  48.287     88.324   40.437  13.890  24.333  9.7795  16.10458       16.98751 
1 1 1 -22 6   17 o 22.576  7.9949  59.808     54.785   26.576     92.931   77.509     67.824   23.234  9.7534  25.274  8.9014  -2.039392      13.20469 
1 1 1 -22 6   18 o 63.394  5.0266  504.034    76.685   581.016    118.727  448.929    100.449  66.849  7.4461  58.814  7.1884  8.035130       10.34977 
1 1 1 -22 6   19 o 39.993  6.6716  208.612    62.460   169.818    99.528   233.818    80.225   34.779  10.726  41.706  8.2199  -6.927197      13.51368 
1 1 1 -22 6   20 o 29.605  8.0782  118.634    59.644   75.960     100.870  141.576    73.958   26.968  10.576  32.067  9.0891  -5.098919      13.94507 
1 1 1 -22 6   21 o 47.452  6.1379  290.294    69.014   301.563    113.021  283.594    87.149   46.081  10.360  45.931  8.1167  0.1503716      13.16086 
1 1 1 -22 6   22 o 25.645  9.2623  80.939     73.898   0.0000     0.0000   80.939     73.898   ?       ?       25.645  9.2623  0.000000       9.262345 
1 1 1 -22 6   23 o 51.550  7.5533  353.736    91.675   0.0000     0.0000   353.736    91.675   ?       ?       51.550  7.5533  0.000000       7.553283 
1 1 1 -22 6   24 o 39.867  8.7416  221.097    82.232   0.0000     0.0000   221.097    82.232   ?       ?       39.867  8.7416  0.000000       8.741619 
1 1 1 -22 6   25 o 47.807  6.1115  297.214    69.271   336.542    108.795  270.400    89.834   48.767  9.5361  44.124  8.7000  4.642921       12.90838 
1 1 1 -22 6   26 f 30.701  7.0714  127.887    51.591   190.954    68.751   46.596     78.054   37.290  7.8468  22.717  9.1710  14.57329       12.06977 
1 1 1 -22 6   27 o 11.902  5.6944  -57.9595   46.613   -75.4842   52.071   12.734     104.582  12.085  5.8410  22.757  9.9567  -10.67217      11.54354 
1 1 1 -22 6   28 o 29.923  8.3966  126.126    63.449   191.796    74.830   -41.8646   119.683  36.866  8.5340  21.567  9.9260  15.29918       13.09023 
1 1 1 -22 6   29 o 54.489  6.3319  390.220    82.155   399.662    96.645   365.622    155.986  54.322  7.5352  46.972  13.160  7.350067       15.16466 
1 1 1 -22 6   30 o 37.436  6.1121  185.436    53.603   171.272    70.641   204.661    82.300   34.730  8.4608  37.639  9.1097  -2.908421      12.43273 
1 1 1 -22 6   31 o 20.804  8.1843  43.650     60.582   139.218    81.838   -72.2107   90.109   30.805  9.7610  17.353  8.1896  13.45267       12.74149 
1 1 1 -22 6   32 o 15.700  7.0469  -14.6572   55.790   -77.3757   81.117   41.641     76.853   16.064  7.6368  21.932  9.0075  -5.868652      11.80920 
1 1 1 -22 6   33 f 15.268  6.9634  -24.4060   57.132   -39.3534   75.828   -4.7794    86.890   16.961  7.8400  19.892  8.8708  -2.930347      11.83874 
1 1 1 -22 6   34 o 53.620  8.3041  405.662    104.548  569.496    200.505  344.485    122.523  55.749  14.636  46.908  10.962  8.841434       18.28622 
1 1 1 -22 6   35 o 67.899  7.6913  639.387    124.480  681.532    226.634  621.180    148.961  59.161  15.574  64.533  9.8233  -5.371223      18.41358 
1 1 1 -22 6   36 o 39.755  10.352  249.840    100.839  313.316    191.533  225.499    118.607  38.948  14.753  36.363  11.775  2.585022       18.87638 
1 1 1 -22 6   37 o 11.995  5.8774  -97.2888   57.858   -168.3759  79.811   -18.5525   83.995   12.979  6.4566  18.503  8.4405  -5.524161      10.62678 
1 1 1 -22 6   38 o 16.044  7.1411  -4.5815    56.018   76.615     76.882   -96.4730   81.788   23.897  9.2714  15.101  7.3042  8.795995       11.80296 
1 1 1 -22 6   39 o 41.265  7.4518  244.572    71.865   196.588    98.030   300.322    105.665  33.946  10.674  42.874  10.288  -8.928131      14.82543 
1 1 1 -22 6   40 f 19.407  8.0208  36.214     61.437   -24.8800   81.166   118.174    94.011   17.566  8.1167  27.064  10.316  -9.498150      13.12619 
1 1 1 -22 6   41 o 23.285  8.6170  79.443     64.550   39.549     89.859   121.978    92.785   21.406  9.2997  27.089  10.267  -5.682470      13.85246 
1 1 1 -22 6   42 o 18.356  8.3559  -4.0647    81.782   254.260    203.531  -53.8032   89.309   31.791  13.900  16.947  8.0441  14.84305       16.05978 
1 1 1 -22 6   43 o 26.188  8.5788  109.540    62.875   23.731     85.502   210.578    92.779   19.972  8.8593  34.451  10.302  -14.47865      13.58733 
1 1 1 -22 6   44 o 27.761  9.8555  133.745    83.301   89.935     94.300   289.369    177.731  24.265  9.9730  33.568  13.732  -9.303474      16.97133 
1 1 1 -22 6   45 o 27.409  9.6943  129.031    80.527   121.968    92.863   150.447    161.697  26.522  10.217  27.758  12.254  -1.236433      15.95505 
1 1 1 -22 6   46 o 26.892  8.6128  116.604    63.586   148.958    90.725   85.368     89.144   28.819  10.279  23.870  9.7403  4.948708       14.16128 
1 1 1 -22 6   47 o 18.163  7.6353  29.180     57.080   42.957     78.802   13.973     82.793   20.648  8.8364  19.223  8.6096  1.424837       12.33725 
1 1 1 -22 6   48 o 36.656  10.956  251.075    104.949  -24.5576   255.137  307.210    115.141  24.762  12.175  40.364  11.306  -15.60194      16.61476 
1 1 1 -22 6   49 o 55.166  10.103  520.393    130.243  532.601    287.583  517.243    146.084  35.455  15.950  52.039  11.837  -16.58369      19.86195 
1 1 1 -22 6   50 o 36.084  11.456  266.569    112.678  401.156    273.188  238.980    123.689  31.552  14.686  32.751  11.959  -1.199417      18.93948 
1 1 1 -22 7   1  o 68.074  4.5931  576.381    75.423   454.478    104.784  707.441    108.648  59.208  7.4592  74.806  6.0372  -15.59797      9.596260 
1 1 1 -22 7   2  o 45.746  5.5348  264.793    60.186   259.425    85.665   270.026    84.576   44.206  8.2911  45.250  7.9956  -1.043926      11.51834 
1 1 1 -22 7   3  o 36.915  10.467  188.063    98.060   143.783    111.167  343.330    208.169  33.099  11.411  47.401  15.614  -14.30199      19.33935 
1 1 1 -22 7   4  o 25.572  10.029  60.982     90.698   116.578    102.888  -132.8197  192.097  30.652  10.945  25.833  12.119  4.818274       16.32982 
1 1 1 -22 7   5  o 27.751  10.417  85.142     94.991   119.136    107.984  -31.1623   199.737  31.089  11.201  29.439  13.263  1.649895       17.36034 
1 1 1 -22 7   6  o 45.640  9.5736  281.805    102.635  197.211    115.965  587.620    220.490  37.710  11.570  62.777  14.729  -25.06742      18.72959 
1 1 1 -22 7   7  o 24.389  7.8224  75.274     52.437   36.634     80.064   104.299    69.392   22.853  9.2665  28.329  8.9894  -5.475435      12.91033 
1 1 1 -22 7   8  o 37.751  6.6562  184.424    58.743   234.055    90.330   148.051    77.328   41.671  9.1815  33.145  9.2586  8.525822       13.03925 
1 1 1 -22 7   9  o 36.171  10.020  178.775    90.972   178.775    90.972   0.0000     0.0000   36.171  10.020  ?       ?       0.000000       10.02046 
1 1 1 -22 7   10 o 16.743  7.8942  -81.8763   83.355   -81.8763   83.355   0.0000     0.0000   16.743  7.8942  ?       ?       0.000000       7.894167 
1 1 1 -22 7   11 o 20.442  8.7154  8.6886     76.140   -28.8933   83.164   203.373    189.284  19.097  8.5852  39.122  14.701  -20.02512      17.02393 
1 1 1 -22 7   12 f 45.359  8.1084  271.584    85.966   320.167    94.268   31.647     209.496  49.310  8.1646  32.108  14.069  17.20271       16.26621 
1 1 1 -22 7   13 o 28.049  9.3011  101.132    73.825   115.773    156.731  96.958     83.691   32.963  13.101  28.050  9.8870  4.913424       16.41342 
1 1 1 -22 7   14 o 62.054  6.8744  494.204    101.768  369.718    194.347  541.234    119.454  49.039  14.966  64.488  7.7922  -15.44891      16.87280 
1 1 1 -22 7   15 o 51.913  8.1310  355.727    99.057   414.296    194.912  335.332    115.019  51.821  14.779  49.437  9.9333  2.384434       17.80665 
1 1 1 -22 7   16 o 45.743  5.8585  266.936    63.530   222.364    99.100   298.033    82.777   39.911  10.196  47.728  7.3864  -7.817150      12.59051 
1 1 1 -22 7   17 o 65.431  4.8995  536.051    77.221   666.926    118.679  439.960    101.692  71.990  6.8780  58.101  7.3798  13.88827       10.08802 
1 1 1 -22 7   18 o 52.082  5.6373  344.781    70.103   435.838    109.873  282.263    91.042   57.334  8.1254  45.763  8.5123  11.57082       11.76782 
1 1 1 -22 7   19 o 61.988  5.0081  483.285    74.682   473.704    115.487  490.172    97.909   59.669  8.1929  61.617  6.6544  -1.947922      10.55490 
1 1 1 -22 7   20 o 17.947  7.5210  13.304     55.104   -30.9920   86.553   43.495     71.456   19.133  8.6651  22.221  8.8417  -3.088108      12.37984 
1 1 1 -22 7   21 o 59.024  7.0804  456.162    99.378   0.0000     0.0000   456.162    99.378   ?       ?       59.024  7.0804  0.000000       7.080379 
1 1 1 -22 7   22 o 47.774  7.8505  306.709    87.842   0.0000     0.0000   306.709    87.842   ?       ?       47.774  7.8505  0.000000       7.850548 
1 1 1 -22 7   23 o 56.253  7.3425  419.735    97.830   0.0000     0.0000   419.735    97.830   ?       ?       56.253  7.3425  0.000000       7.342490 
1 1 1 -22 7   24 o 44.178  6.8477  258.576    71.028   383.953    119.871  190.737    88.175   51.910  9.8779  36.359  9.7809  15.55097       13.90105 
1 1 1 -22 7   25 o 26.794  7.7103  98.315     52.826   74.026     72.233   126.244    77.456   24.623  9.1147  29.892  9.4986  -5.269588      13.16445 
1 1 1 -22 7   26 o 49.267  5.2873  311.377    62.216   240.473    83.634   399.239    93.100   41.433  8.6006  54.678  7.1919  -13.24498      11.21132 
1 1 1 -22 7   27 o 77.431  5.8942  775.333    109.908  808.016    134.359  709.227    191.082  77.910  7.1884  67.960  12.028  9.950218       14.01242 
1 1 1 -22 7   28 o 26.614  8.2346  98.258     58.604   108.734    66.307   60.861     125.279  27.821  8.7830  26.543  11.243  1.277296       14.26687 
1 1 1 -22 7   29 o 25.346  8.1901  88.008     57.402   38.474     65.979   242.232    116.421  20.861  8.4283  39.284  11.487  -18.42302      14.24769 
1 1 1 -22 7   30 f 21.777  8.2154  54.975     59.237   108.480    82.948   -0.7143    84.624   27.855  9.8403  20.008  8.8474  7.847557       13.23286 
1 1 1 -22 7   31 f 52.789  6.0570  366.067    76.179   263.502    104.304  483.323    111.524  41.705  10.355  59.201  7.9660  -17.49606      13.06466 
1 1 1 -22 7   32 o 97.732  5.9626  1246.64    140.719  704.819    213.764  1660.99    186.937  63.716  14.191  111.480 6.9454  -47.76385      15.79924 
1 1 1 -22 7   33 o 53.194  9.1449  410.247    113.780  553.491    233.932  365.860    130.220  51.434  16.525  48.011  11.356  3.422989       20.05076 
1 1 1 -22 7   34 o 32.471  10.487  165.078    94.123   402.427    217.952  110.665    104.356  43.334  15.868  27.979  10.817  15.35502       19.20363 
1 1 1 -22 7   35 o 22.741  9.6185  44.095     91.479   -83.8360   210.257  73.966     101.599  25.122  12.039  25.185  10.352  -0.6272507E-01 15.87753 
1 1 1 -22 7   36 o 54.114  6.0603  392.132    78.206   343.131    107.136  448.026    114.424  47.378  9.6474  55.175  8.8459  -7.796555      13.08899 
1 1 1 -22 7   37 o 48.061  6.6128  317.440    75.073   343.713    102.865  287.498    109.814  47.550  9.2486  41.727  10.772  5.823044       14.19787 
1 1 1 -22 7   38 o 24.784  8.6908  90.608     64.609   -3.6123    93.318   177.354    89.541   19.798  8.9789  32.738  10.187  -12.93985      13.57898 
1 1 1 -22 7   39 o 17.073  7.5359  4.2862     61.122   -5.1612    82.061   16.059     91.605   18.613  8.4329  20.465  9.1187  -1.851501      12.42037 
1 1 1 -22 7   40 o 47.276  6.7526  315.393    75.259   360.173    104.147  266.457    108.874  47.730  9.3272  38.651  11.053  9.079250       14.46257 
1 1 1 -22 7   41 o 38.999  9.7964  253.849    92.579   -31.6403   259.022  295.661    99.127   25.354  12.425  42.170  9.8635  -16.81684      15.86439 
1 1 1 -22 7   42 f 17.270  7.5632  12.428     60.470   0.1608     81.104   27.783     90.739   18.422  8.3611  20.530  9.1157  -2.107594      12.36952 
1 1 1 -22 7   43 o 26.290  9.9670  118.047    87.465   119.384    94.572   110.144    229.969  26.313  10.262  26.935  12.821  -0.6220646     16.42205 
1 1 1 -22 7   44 o 31.377  10.116  175.836    87.615   146.363    99.216   280.212    186.712  28.206  10.634  32.574  13.757  -4.367622      17.38825 
1 1 1 -22 7   45 o 14.694  6.7941  -22.7730   57.013   11.883     77.512   -63.6224   84.154   18.665  8.3472  15.973  7.6445  2.692668       11.31873 
1 1 1 -22 7   46 o 52.746  6.1613  388.375    77.368   230.980    106.443  564.661    112.650  34.834  11.142  61.537  7.7140  -26.70345      13.55184 
1 1 1 -22 7   47 o 25.620  10.432  110.392    101.987  -117.9505  285.709  143.736    109.179  24.174  12.056  27.773  10.968  -3.599409      16.29841 
1 1 1 -22 7   48 o 23.824  10.051  85.171     99.500   -358.1862  287.354  145.570    106.061  21.567  10.919  27.725  10.853  -6.158419      15.39510 
1 1 1 -22 7   49 o 19.315  8.8442  8.3388     93.358   -326.6039  284.515  48.753     98.830   21.405  10.840  21.522  9.5370  -0.1169529     14.43849 
1 1 1 -22 7   50 o 30.645  11.004  196.897    104.135  264.965    310.000  188.240    110.559  27.512  13.505  29.523  11.203  -2.010618      17.54695 
1 1 1 -22 8   1  o 66.688  6.0056  563.277    96.135   486.632    105.605  934.081    232.281  61.371  7.2305  81.379  12.134  -20.00752      14.12533 
1 1 1 -22 8   2  o 20.670  9.1081  -11.1520   88.916   59.617     99.755   -284.7377  196.139  26.078  10.424  22.595  11.017  3.482742       15.16672 
1 1 1 -22 8   3  o 45.873  9.7131  286.958    104.747  343.018    118.966  93.592     220.945  50.032  10.147  34.937  14.870  15.09507       18.00175 
1 1 1 -22 8   4  o 53.220  8.9572  377.517    111.560  303.347    129.168  595.294    221.333  46.319  11.536  62.880  14.760  -16.56089      18.73334 
1 1 1 -22 8   5  o 58.569  5.4831  431.338    77.015   456.552    128.499  417.203    96.209   58.420  9.3827  56.922  7.1217  1.498516       11.77937 
1 1 1 -22 8   6  o 61.912  4.9736  478.616    74.085   502.292    105.603  455.670    103.962  62.553  7.0824  59.414  7.3696  3.139114       10.22116 
1 1 1 -22 8   7  f 39.113  6.6581  197.938    60.924   234.138    89.913   167.210    82.839   41.636  9.1497  35.060  9.5009  6.576000       13.19032 
1 1 1 -22 8   8  o 63.168  7.5558  515.874    113.511  515.874    113.511  0.0000     0.0000   63.168  7.5558  ?       ?       0.000000       7.555798 
1 1 1 -22 8   9  o 46.602  9.7807  295.740    107.071  295.740    107.071  0.0000     0.0000   46.602  9.7807  ?       ?       0.000000       9.780722 
1 1 1 -22 8   10 o 63.699  7.7434  526.621    117.220  526.621    117.220  0.0000     0.0000   63.699  7.7434  ?       ?       0.000000       7.743362 
1 1 1 -22 8   11 o 49.948  10.048  341.303    117.552  341.303    117.552  0.0000     0.0000   49.948  10.048  ?       ?       0.000000       10.04760 
1 1 1 -22 8   12 o 17.484  7.6564  -7.6854    61.961   -2.2763    154.187  -8.7271    67.665   27.067  11.957  18.199  7.9845  8.867931       14.37785 
1 1 1 -22 8   13 o 66.664  6.7560  569.163    107.772  378.669    206.741  640.243    126.288  49.174  15.507  70.313  7.5188  -21.13927      17.23373 
1 1 1 -22 8   14 o 64.291  6.9124  531.772    106.137  562.574    207.118  520.803    123.600  60.972  14.255  62.848  8.3089  -1.875935      16.49988 
1 1 1 -22 8   15 o 21.287  8.1506  44.454     58.854   108.771    84.729   -15.5089   81.812   29.013  9.9649  19.522  8.6625  9.491327       13.20368 
1 1 1 -22 8   16 o 26.121  8.1903  89.529     57.759   121.796    93.352   69.515     73.522   30.398  10.459  24.779  9.1911  5.618237       13.92328 
1 1 1 -22 8   17 o 67.014  4.8239  562.490    77.914   641.152    116.078  497.989    105.111  70.471  6.8762  61.899  7.1287  8.572220       9.904532 
1 1 1 -22 8   18 o 24.601  8.1051  77.884     56.094   105.096    89.685   60.399     71.891   28.658  10.221  23.743  9.0278  4.914999       13.63676 
1 1 1 -22 8   19 o 50.472  5.7101  325.631    68.699   358.677    107.888  303.094    89.098   51.208  9.0121  47.552  8.0065  3.656113       12.05496 
1 1 1 -22 8   20 o 27.218  9.3354  97.140     74.351   0.0000     0.0000   97.140     74.351   ?       ?       27.218  9.3354  0.000000       9.335422 
1 1 1 -22 8   21 o 53.611  7.4528  381.530    94.326   0.0000     0.0000   381.530    94.326   ?       ?       53.611  7.4528  0.000000       7.452750 
1 1 1 -22 8   22 o 19.019  8.2245  4.9259     69.631   0.0000     0.0000   4.9259     69.631   ?       ?       19.019  8.2245  0.000000       8.224475 
1 1 1 -22 8   23 o 59.196  5.3743  447.405    76.352   425.799    118.132  462.907    100.060  55.300  9.1221  59.154  7.1139  -3.854233      11.56804 
1 1 1 -22 8   24 o 59.345  5.0631  447.926    72.209   341.374    103.153  550.312    101.116  49.428  8.9295  64.886  6.5103  -15.45752      11.05079 
1 1 1 -22 8   25 o 48.509  5.3808  302.584    62.267   257.366    85.247   354.303    91.169   42.972  8.4768  51.222  7.5629  -8.249374      11.36022 
1 1 1 -22 8   26 o 33.562  7.9815  157.081    64.048   165.377    73.166   129.879    132.483  34.048  8.7945  30.900  12.120  3.148540       14.97437 
1 1 1 -22 8   27 o 66.288  6.0263  571.913    95.870   572.450    113.690  570.591    178.357  65.317  7.2983  59.872  12.672  5.445198       14.62382 
1 1 1 -22 8   28 o 20.541  7.9988  43.442     57.387   82.091     65.244   -88.6734   120.628  24.875  8.7328  19.907  9.4195  4.967726       12.84482 
1 1 1 -22 8   29 o 17.035  7.2641  9.3057     52.911   97.027     82.369   -52.3207   69.038   26.807  9.7639  15.569  7.2912  11.23773       12.18589 
1 1 1 -22 8   30 o 59.003  5.5306  450.942    78.255   416.543    108.923  487.638    112.501  54.450  8.5240  59.429  8.0055  -4.979462      11.69388 
1 1 1 -22 8   31 o 57.127  5.9587  428.140    81.379   426.036    113.344  430.379    116.912  54.670  8.8467  54.696  9.1312  -0.2606583E-01 12.71389 
1 1 1 -22 8   32 f 62.768  5.5980  513.127    84.363   508.914    114.893  518.056    124.275  60.425  8.0356  60.278  8.7528  0.1468658      11.88203 
1 1 1 -22 8   33 o 16.041  7.6407  -77.0503   81.996   0.0020     194.864  -93.6286   90.387   26.834  12.461  16.429  7.8785  10.40529       14.74280 
1 1 1 -22 8   34 o 31.480  10.539  156.680    94.739   272.819    234.653  134.061    103.554  36.242  15.371  29.504  10.915  6.737665       18.85214 
1 1 1 -22 8   35 o 26.819  8.8675  106.396    67.121   89.327     93.587   124.476    96.318   25.724  10.156  28.462  10.527  -2.738028      14.62739 
1 1 1 -22 8   36 o 14.039  6.6494  -52.9566   60.388   -57.0843   84.550   -48.6582   86.280   16.827  7.9388  17.341  8.1306  -0.5142269     11.36361 
1 1 1 -22 8   37 o 39.338  7.6913  224.274    70.783   192.467    97.066   260.397    103.443  33.743  10.624  39.551  10.575  -5.808258      14.98950 
1 1 1 -22 8   38 o 16.544  7.3031  2.4202     57.416   -72.9877   80.666   79.851     81.741   15.621  7.4782  23.995  9.4853  -8.373994      12.07862 
1 1 1 -22 8   39 o 15.472  7.0990  -20.1759   60.577   -78.4403   81.724   50.877     90.248   15.456  7.4326  22.163  9.4697  -6.706516      12.03826 
1 1 1 -22 8   40 o 11.038  5.4603  -104.0914  54.089   -6.3324    76.241   -203.1504  76.747   17.784  8.0850  11.664  5.8761  6.120006       9.994843 
1 1 1 -22 8   41 f 14.402  6.7458  -34.6368   59.134   -40.9773   86.399   -29.0489   81.109   17.087  8.0505  17.078  7.9668  0.8562088E-02  11.32609 
1 1 1 -22 8   42 o 13.429  6.6466  -137.4346  80.535   -153.4469  86.875   -39.5817   214.761  13.727  6.8130  23.625  11.521  -9.898850      13.38491 
1 1 1 -22 8   43 o 26.604  10.076  123.355    89.337   123.270    96.489   123.864    236.442  26.489  10.356  27.127  12.936  -0.6376934     16.57085 
1 1 1 -22 8   44 o 15.269  7.0099  -16.7985   59.184   128.909    83.535   -163.6539  83.864   27.215  9.8450  13.164  6.5598  14.05131       11.83025 
1 1 1 -22 8   45 o 25.289  8.6452  102.564    63.758   49.610     87.297   163.106    93.342   21.449  9.2421  29.842  10.447  -8.392473      13.94838 
1 1 1 -22 8   46 o 22.166  8.2777  72.494     59.834   129.111    83.880   13.841     85.375   27.251  9.8642  19.340  8.6963  7.911102       13.15024 
1 1 1 -22 8   47 o 26.005  10.265  118.234    95.609   -49.6189   286.916  139.201    101.405  24.767  12.308  27.425  10.646  -2.658472      16.27301 
1 1 1 -22 8   48 o 26.396  10.284  127.407    94.896   -186.9468  291.623  164.635    100.358  22.945  11.545  29.044  10.745  -6.098991      15.77175 
1 1 1 -22 8   49 o 32.231  11.423  223.189    111.861  345.263    306.493  204.430    120.149  29.044  14.071  30.219  11.627  -1.175095      18.25361 
1 1 1 -22 9   1  o 50.013  8.3720  332.463    98.004   240.532    114.074  591.555    191.505  41.172  11.146  63.848  12.807  -22.67628      16.97782 
1 1 1 -22 9   2  o 24.799  9.4838  63.422     79.623   55.170     91.323   89.581     162.593  25.067  9.9887  31.723  13.074  -6.656404      16.45277 
1 1 1 -22 9   3  o 23.553  9.6573  37.233     88.162   -4.2557    101.487  164.840    177.986  22.372  9.7976  36.379  14.109  -14.00734      17.17699 
1 1 1 -22 9   4  o 64.774  4.8626  523.659    75.867   471.550    107.599  575.178    106.988  60.294  7.5182  67.111  6.6581  -6.817036      10.04259 
1 1 1 -22 9   5  o 95.099  4.3769  1117.83    100.995  1100.05    141.077  1136.52    144.647  93.252  6.2714  94.757  6.3276  -1.504234      8.908934 
1 1 1 -22 9   6  o 186.250 5.7130  4342.74    258.179  4601.36    424.747  4191.19    325.138  186.664 9.4082  181.084 7.3999  5.580124       11.96962 
1 1 1 -22 9   7  o 180.168 7.1816  4136.75    313.951  4136.75    313.951  0.0000     0.0000   180.168 7.1816  ?       ?       0.000000       7.181589 
1 1 1 -22 9   8  o 94.435  6.6406  1133.60    151.192  1133.60    151.192  0.0000     0.0000   94.435  6.6406  ?       ?       0.000000       6.640574 
1 1 1 -22 9   9  o 60.995  8.3890  489.780    120.869  489.780    120.869  0.0000     0.0000   60.995  8.3890  ?       ?       0.000000       8.388960 
1 1 1 -22 9   10 o 28.987  13.079  -27.4956   195.089  -27.4956   195.089  0.0000     0.0000   28.987  13.079  ?       ?       0.000000       13.07920 
1 1 1 -22 9   11 o 28.582  8.9927  107.918    69.564   -156.7607  206.273  141.883    73.893   26.039  12.320  32.334  9.0572  -6.294411      15.29115 
1 1 1 -22 9   12 o 53.167  7.5060  369.006    94.139   535.591    199.472  321.272    106.778  59.650  14.019  48.611  9.3927  11.03821       16.87465 
1 1 1 -22 9   13 o 104.351 6.2945  1382.20    158.630  1315.92    273.910  1415.64    194.582  96.542  11.948  104.453 7.7324  -7.911217      14.23201 
1 1 1 -22 9   14 o 44.441  5.7383  252.033    60.431   266.761    96.950   242.675    77.282   44.109  9.3490  42.777  7.7301  1.331184       12.13084 
1 1 1 -22 9   15 o 26.577  7.9770  93.763     55.552   152.485    88.339   55.351     71.448   33.164  10.083  23.332  8.9692  9.831636       13.49490 
1 1 1 -22 9   16 o 38.206  6.6999  191.236    59.846   265.765    95.414   142.900    76.839   43.937  9.2428  32.186  9.3098  11.75021       13.11874 
1 1 1 -22 9   17 o 31.300  8.3598  133.848    64.690   196.625    92.402   73.500     90.597   37.288  10.005  26.081  10.080  11.20727       14.20191 
1 1 1 -22 9   18 o 101.089 4.4048  1271.43    108.042  1393.48    157.795  1163.70    148.240  104.356 6.2607  95.178  6.4572  9.177475       8.993978 
1 1 1 -22 9   19 o 27.479  8.3730  102.279    60.868   65.193     106.873  120.085    74.052   26.385  10.703  29.551  9.2751  -3.166586      14.16296 
1 1 1 -22 9   20 o 71.042  6.5239  654.176    111.201  0.0000     0.0000   654.176    111.201  ?       ?       71.042  6.5239  0.000000       6.523908 
1 1 1 -22 9   21 o 51.594  7.6907  357.115    93.337   0.0000     0.0000   357.115    93.337   ?       ?       51.594  7.6907  0.000000       7.690714 
1 1 1 -22 9   22 o 76.438  5.8010  749.958    106.789  740.352    241.360  752.296    119.079  66.083  15.347  76.019  6.5189  -9.935387      16.67376 
1 1 1 -22 9   23 o 45.134  6.9692  271.440    73.864   306.111    130.499  255.098    89.598   44.485  11.870  42.541  8.9630  1.943573       14.87383 
1 1 1 -22 9   24 o 71.839  4.5166  650.219    78.328   641.252    107.540  660.351    114.316  70.062  6.3965  70.838  6.7318  -0.7758102     9.286109 
1 1 1 -22 9   25 o 58.165  6.2554  442.782    86.896   434.637    102.063  464.243    165.666  56.665  7.6159  53.700  12.880  2.965458       14.96323 
1 1 1 -22 9   26 o 56.617  6.3234  421.215    85.385   381.255    99.952   529.118    164.247  52.608  8.0894  58.288  12.013  -5.680077      14.48260 
1 1 1 -22 9   27 o 34.908  8.0029  170.805    66.337   167.617    75.686   181.374    137.792  34.029  9.0205  34.015  12.589  0.1395035E-01  15.48753 
1 1 1 -22 9   28 o 28.874  7.0043  114.560    48.571   66.659     63.363   182.811    75.634   23.176  8.5451  35.632  8.8002  -12.45529      12.26631 
1 1 1 -22 9   29 o 32.261  8.2875  148.410    65.218   165.087    95.560   133.870    89.229   32.918  10.560  30.129  10.228  2.789228       14.70103 
1 1 1 -22 9   30 o 42.167  7.5033  245.330    73.957   299.069    102.872  187.843    106.398  44.923  9.7200  34.530  11.150  10.39302       14.79172 
1 1 1 -22 9   31 o 64.275  5.5732  537.624    86.058   518.919    119.067  558.084    124.525  60.776  8.2904  62.985  8.3543  -2.208851      11.76964 
1 1 1 -22 9   32 o 33.726  10.678  179.833    97.944   186.681    213.833  178.014    110.182  33.545  14.459  33.200  11.365  0.3457489      18.39104 
1 1 1 -22 9   33 o 20.495  9.0582  8.6768     88.598   174.643    204.613  -29.6206   98.290   32.563  14.090  19.544  8.9953  13.01866       16.71636 
1 1 1 -22 9   34 o 32.901  8.4926  160.612    68.260   54.458     91.833   291.671    102.039  23.274  9.7278  43.363  9.9140  -20.08877      13.88948 
1 1 1 -22 9   35 o 18.990  7.9678  26.797     61.968   52.371     84.506   -2.9495    91.141   22.526  9.3663  19.838  8.9465  2.688246       12.95253 
1 1 1 -22 9   36 o 24.579  8.6948  88.227     64.781   48.105     88.009   135.670    95.703   22.273  9.4281  28.851  10.522  -6.578236      14.12816 
1 1 1 -22 9   37 o 26.458  8.8711  107.926    67.121   75.031     91.269   146.673    99.056   23.988  9.8297  29.390  10.707  -5.402109      14.53490 
1 1 1 -22 9   38 o 34.568  8.1816  181.595    67.557   181.941    94.576   181.233    96.535   32.298  10.519  32.113  10.635  0.1854744      14.95833 
1 1 1 -22 9   39 o 21.537  8.3822  62.350     62.993   60.768     89.040   63.935     89.132   22.532  9.5075  22.737  9.5487  -0.2045574     13.47474 
1 1 1 -22 9   40 o 36.814  8.0553  207.760    69.955   283.069    98.942   132.484    98.920   40.731  10.069  27.382  10.546  13.34884       14.58086 
1 1 1 -22 9   41 o 17.573  7.6351  17.590     60.580   -21.0642   85.541   56.484     85.805   17.740  8.2442  21.804  9.2731  -4.063843      12.40791 
1 1 1 -22 9   42 o 18.923  8.5029  12.015     81.459   44.388     87.196   -209.9683  228.332  21.073  9.1579  21.361  10.673  -0.2877483     14.06310 
1 1 1 -22 9   43 o 32.495  10.379  193.139    92.388   259.055    101.564  -122.9908  222.423  37.680  10.641  22.331  11.052  15.34881       15.34181 
1 1 1 -22 9   44 o 14.464  6.7556  -30.6500   58.602   -29.0449   78.579   -32.6613   87.963   16.732  7.8174  17.436  8.1863  -0.7046261     11.31933 
1 1 1 -22 9   45 o 11.045  5.4612  -100.7925  53.883   -111.1989  74.669   -89.4854   77.833   13.441  6.6041  14.442  7.0188  -1.001349      9.637257 
1 1 1 -22 9   46 o 32.538  11.364  211.931    110.413  392.487    295.237  182.571    119.052  32.032  15.026  29.867  11.551  2.165289       18.95252 
1 1 1 -22 9   47 o 24.703  10.346  102.101    104.178  372.073    291.355  62.525     111.553  31.026  14.668  22.753  10.105  8.273287       17.81168 
1 1 1 -22 9   48 o 14.937  7.3165  -105.1731  89.472   181.912    303.408  -132.5156  93.636   26.834  13.210  14.637  7.2305  12.19641       15.05901 
1 1 1 -22 10  1  o 94.719  6.4547  1142.29    147.463  1147.89    178.160  1130.10    262.777  93.874  7.8950  88.780  12.548  5.094055       14.82524 
1 1 1 -22 10  2  o 87.526  4.8112  954.981    101.785  995.670    160.949  927.861    131.397  87.632  7.6460  85.409  6.3867  2.223778       9.962458 
1 1 1 -22 10  3  o 75.289  4.4799  704.469    81.470   650.614    114.091  760.501    116.375  71.319  6.6705  77.384  6.2513  -6.064697      9.141869 
1 1 1 -22 10  4  o 23.921  7.7909  72.483     51.884   95.135     74.447   51.091     72.348   27.389  9.3419  23.158  8.9913  4.231012       12.96587 
1 1 1 -22 10  5  o 74.027  4.4510  680.677    79.577   675.693    112.500  685.667    112.579  72.847  6.4306  73.411  6.3837  -0.5639877     9.061192 
1 1 1 -22 10  6  o 104.042 5.5380  1358.09    139.303  1344.54    159.779  1401.05    284.423  102.935 6.4294  99.966  11.964  2.969162       13.58188 
1 1 1 -22 10  7  o 77.771  6.9394  775.279    129.573  775.279    129.573  0.0000     0.0000   77.771  6.9394  ?       ?       0.000000       6.939389 
1 1 1 -22 10  8  o 32.074  10.562  138.211    95.253   138.211    95.253   0.0000     0.0000   32.074  10.562  ?       ?       0.000000       10.56165 
1 1 1 -22 10  9  o 77.410  6.7965  767.207    126.366  894.910    248.506  722.671    146.755  78.071  13.613  74.183  8.2952  3.887894       15.94166 
1 1 1 -22 10  10 o 90.506  6.5203  1043.57    142.230  1295.76    282.538  957.967    164.608  95.246  12.530  85.669  8.0120  9.577713       14.87214 
1 1 1 -22 10  11 o 88.435  6.4885  997.024    138.257  958.571    273.562  1010.22    160.226  79.414  14.740  88.275  7.5533  -8.860741      16.56226 
1 1 1 -22 10  12 o 22.537  9.0991  39.367     76.842   149.764    213.606  22.957     82.356   36.355  14.984  21.901  9.1872  14.45358       17.57616 
1 1 1 -22 10  13 f 30.908  7.9708  128.899    60.166   203.733    96.683   81.604     76.861   38.041  10.246  26.070  9.4416  11.97100       13.93249 
1 1 1 -22 10  14 o 40.098  6.6278  209.804    62.231   190.996    96.356   223.264    81.512   36.749  10.360  40.531  8.5570  -3.782131      13.43682 
1 1 1 -22 10  15 o 44.247  5.8212  251.130    60.979   245.087    96.909   255.092    78.459   41.852  9.7279  43.778  7.6655  -1.926888      12.38513 
1 1 1 -22 10  16 o 57.106  5.1076  411.836    70.024   463.546    107.917  374.231    92.029   59.216  7.6925  53.347  7.3013  5.869251       10.60583 
1 1 1 -22 10  17 o 74.737  4.7074  700.297    84.928   703.139    126.765  697.983    114.398  73.328  7.2183  73.571  6.4743  -0.2430191     9.696397 
1 1 1 -22 10  18 o 12.429  5.8853  -50.8299   47.259   -4.6133    78.144   -77.4808   59.341   19.479  8.5624  13.258  6.3647  6.221293       10.66882 
1 1 1 -22 10  19 o 44.792  8.2184  273.444    86.029   0.0000     0.0000   273.444    86.029   ?       ?       44.792  8.2184  0.000000       8.218354 
1 1 1 -22 10  20 o 60.550  7.1804  484.750    103.438  0.0000     0.0000   484.750    103.438  ?       ?       60.550  7.1804  0.000000       7.180390 
1 1 1 -22 10  21 o 52.444  6.7075  361.996    83.397   126.493    206.251  408.027    91.184   33.367  14.288  55.589  6.9093  -22.22237      15.87091 
1 1 1 -22 10  22 o 51.781  5.9688  348.184    73.620   324.342    120.159  362.513    93.151   46.668  10.822  51.818  7.6377  -5.150970      13.24559 
1 1 1 -22 10  23 o 60.821  4.6087  467.595    67.509   418.992    92.097   524.039    99.247   56.188  6.9002  63.144  6.5741  -6.955856      9.530580 
1 1 1 -22 10  24 o 21.943  8.1166  57.109     57.258   -1.4295    64.148   286.543    126.996  17.758  7.7829  42.650  11.848  -24.89209      14.17559 
1 1 1 -22 10  25 o 46.576  6.9443  290.999    76.081   277.867    87.784   330.635    152.510  44.529  8.4334  44.417  13.191  0.1118813      15.65669 
1 1 1 -22 10  26 o 17.586  7.3187  17.763     51.663   51.269     57.124   -132.7628  121.077  21.267  8.0568  18.631  8.9806  2.635826       12.06499 
1 1 1 -22 10  27 o 17.955  7.0554  30.066     44.974   46.694     57.017   2.6859     73.166   20.776  8.0054  18.981  8.3156  1.794811       11.54280 
1 1 1 -22 10  28 f 16.215  7.1663  -5.9658    55.443   -4.0856    82.158   -7.5380    75.130   19.503  8.6661  18.556  8.2639  0.9462509      11.97470 
1 1 1 -22 10  29 o 24.907  8.4452  85.127     60.838   180.148    89.797   4.5047     82.715   34.408  10.096  19.983  8.7959  14.42546       13.39053 
1 1 1 -22 10  30 o 35.186  8.1247  176.692    67.963   195.398    97.692   159.148    94.609   35.365  10.570  32.107  10.524  3.257923       14.91558 
1 1 1 -22 10  31 o 45.296  9.9311  310.952    106.141  403.314    223.989  284.207    120.533  43.117  16.033  41.663  11.531  1.453590       19.74896 
1 1 1 -22 10  32 o 47.416  9.7941  341.038    108.952  587.613    231.173  270.628    123.533  52.186  16.389  39.952  11.874  12.23366       20.23826 
1 1 1 -22 10  33 o 24.087  9.8640  66.690     91.833   74.667     210.059  64.805     102.107  28.839  13.227  24.473  10.246  4.366058       16.73139 
1 1 1 -22 10  34 o 35.088  8.0401  180.349    66.985   138.791    93.301   224.557    96.230   29.433  10.432  37.219  10.304  -7.785641      14.66321 
1 1 1 -22 10  35 o 30.513  8.7830  143.238    68.540   142.634    93.497   143.940    100.771  29.482  10.444  29.462  10.789  0.2006531E-01  15.01608 
1 1 1 -22 10  36 o 48.189  6.7129  324.027    76.360   306.341    103.744  344.934    112.801  43.454  10.041  45.784  10.392  -2.330643      14.45033 
1 1 1 -22 10  37 o 39.411  7.8851  230.765    72.770   192.165    98.656   276.827    107.771  32.975  10.743  39.845  10.853  -6.870193      15.27123 
1 1 1 -22 10  38 o 65.181  5.6708  575.552    88.793   495.505    121.874  666.108    129.628  55.921  9.3092  66.603  8.1941  -10.68150      12.40177 
1 1 1 -22 10  39 o 60.750  6.0106  509.707    87.435   664.263    125.257  362.824    122.108  66.623  7.9024  44.583  11.279  22.04075       13.77209 
1 1 1 -22 10  40 o 28.403  9.1098  134.833    71.117   119.468    100.646  150.156    100.503  26.223  10.474  28.451  10.708  -2.227758      14.97905 
1 1 1 -22 10  41 o 36.424  10.590  242.853    99.196   249.323    108.252  208.966    247.748  35.951  11.203  28.837  13.601  7.113960       17.62038 
1 1 1 -22 10  42 o 20.843  9.0770  42.482     86.021   28.910     92.434   130.237    235.040  20.463  9.1358  27.027  12.891  -6.563723      15.79995 
1 1 1 -22 10  43 o 10.668  5.3162  -119.5655  55.088   -136.4386  74.189   -98.8304   82.243   12.696  6.3007  14.602  7.1228  -1.905919      9.509615 
1 1 1 -22 10  44 o 18.078  7.7277  25.754     60.147   75.022     83.518   -27.3304   86.692   22.880  9.3925  17.526  8.1958  5.353609       12.46558 
1 1 1 -22 10  45 o 18.954  8.7901  -10.0146   96.491   340.265    295.444  -51.8385   102.089  30.907  14.658  17.850  8.5088  13.05669       16.94902 
1 1 1 -22 10  46 o 19.864  8.9248  22.941     89.711   123.116    283.111  11.759     94.586   26.728  13.076  19.636  8.9570  7.092384       15.84951 
1 1 1 -22 10  47 o 17.759  8.2367  -10.9405   84.758   -85.3365   282.878  -3.6027    88.840   23.476  11.751  18.380  8.4923  5.095762       14.49880 
1 1 1 -22 11  1  o 78.306  4.3591  762.136    82.496   716.576    114.825  810.741    118.600  74.910  6.3780  79.833  6.1705  -4.922882      8.874363 
1 1 1 -22 11  2  o 60.580  4.7842  459.193    69.751   362.633    97.600   559.993    99.719   52.408  7.9224  66.242  6.2791  -13.83422      10.10894 
1 1 1 -22 11  3  o 120.371 4.3444  1794.38    126.888  1757.31    175.932  1834.56    183.181  117.762 6.1787  120.226 6.3013  -2.464684      8.825105 
1 1 1 -22 11  4  o 94.844  4.3181  1113.53    99.374   1072.09    137.661  1158.62    143.597  91.907  6.2095  95.546  6.2280  -3.638672      8.794647 
1 1 1 -22 11  5  o 84.397  4.6042  886.486    93.930   772.134    129.134  1014.97    136.880  77.514  6.9393  89.329  6.3566  -11.81561      9.410644 
1 1 1 -22 11  6  o 77.091  6.7031  760.996    124.135  760.996    124.135  0.0000     0.0000   77.091  6.7031  ?       ?       0.000000       6.703052 
1 1 1 -22 11  7  o 95.836  6.3950  1168.50    147.854  1168.50    147.854  0.0000     0.0000   95.836  6.3950  ?       ?       0.000000       6.394990 
1 1 1 -22 11  8  o 123.292 6.4266  1932.72    191.589  1931.18    312.892  1933.65    242.330  118.150 11.042  121.525 8.2673  -3.374954      13.79426 
1 1 1 -22 11  9  o 59.707  7.7463  467.462    109.578  481.070    206.570  462.133    129.264  55.270  15.014  58.344  9.4546  -3.073341      17.74264 
1 1 1 -22 11  10 o 81.068  6.6705  842.489    130.048  907.324    260.281  820.917    150.131  77.278  14.411  79.164  7.9222  -1.886086      16.44516 
1 1 1 -22 11  11 o 114.152 6.4910  1663.12    179.046  1879.58    322.771  1566.91    215.189  115.282 11.701  109.226 8.1789  6.055473       14.27631 
1 1 1 -22 11  12 o 37.971  7.1877  190.799    63.797   174.734    103.868  200.532    80.844   35.127  10.978  38.219  8.8861  -3.091671      14.12386 
1 1 1 -22 11  13 o 33.378  7.9150  150.786    63.130   294.009    104.084  67.437     79.402   45.999  9.6342  24.888  9.4818  21.11141       13.51752 
1 1 1 -22 11  14 o 12.604  6.0433  -69.6808   53.135   -46.9513   87.562   -82.9293   66.850   18.509  8.5081  14.226  6.8099  4.282632       10.89783 
1 1 1 -22 11  15 o 52.579  5.6960  353.313    71.507   354.260    108.760  352.591    94.902   50.732  9.1729  51.403  7.8585  -0.6711159     12.07885 
1 1 1 -22 11  16 o 43.399  6.3168  245.143    64.566   299.121    100.003  206.559    84.550   46.425  9.2028  38.415  9.1936  8.010216       13.00819 
1 1 1 -22 11  17 o 77.956  4.5931  761.946    86.497   809.596    129.723  723.802    116.063  78.845  6.8488  74.809  6.4574  4.035934       9.412972 
1 1 1 -22 11  18 o 62.874  6.6470  515.666    99.868   0.0000     0.0000   515.666    99.868   ?       ?       62.874  6.6470  0.000000       6.647022 
1 1 1 -22 11  19 o 69.142  6.4715  622.014    107.307  0.0000     0.0000   622.014    107.307  ?       ?       69.142  6.4715  0.000000       6.471495 
1 1 1 -22 11  20 o 34.737  9.1355  172.045    78.028   0.0000     0.0000   172.045    78.028   ?       ?       34.737  9.1355  0.000000       9.135487 
1 1 1 -22 11  21 o 89.596  5.0247  1018.11    108.794  1019.58    178.137  1017.23    137.395  86.140  8.6393  88.329  6.4554  -2.188889      10.78469 
1 1 1 -22 11  22 o 41.698  5.6296  225.898    55.502   210.707    73.342   246.257    84.906   38.994  8.0193  41.836  8.6499  -2.842026      11.79536 
1 1 1 -22 11  23 o 34.830  8.0417  169.664    66.587   129.579    75.879   303.909    138.861  30.015  9.3836  43.289  12.513  -13.27377      15.64095 
1 1 1 -22 11  24 o 30.132  8.6062  129.489    66.047   45.187     75.710   397.978    135.113  22.199  9.0075  50.980  11.226  -28.78128      14.39331 
1 1 1 -22 11  25 f 44.029  7.4519  264.974    76.770   260.412    89.156   278.058    150.984  42.656  8.9017  40.369  13.297  2.287521       16.00185 
1 1 1 -22 11  26 o 25.416  7.4463  89.285     48.877   101.428    62.269   69.795     78.886   26.855  8.5149  24.277  9.3990  2.578096       12.68249 
1 1 1 -22 11  27 o 28.621  8.2583  116.617    60.529   60.369     84.672   175.404    86.561   23.826  9.5754  34.155  9.8817  -10.32906      13.75996 
1 1 1 -22 11  28 o 52.600  5.9387  363.709    74.469   292.580    105.093  435.440    105.537  44.086  10.048  55.966  7.9992  -11.88049      12.84342 
1 1 1 -22 11  29 f 34.802  8.0118  172.419    66.254   207.760    92.967   135.945    94.445   36.787  10.105  30.019  10.509  6.768152       14.57890 
1 1 1 -22 11  30 o 33.062  10.144  169.489    89.140   169.302    185.432  169.545    101.656  32.536  13.724  32.659  10.917  -0.1226273     17.53688 
1 1 1 -22 11  31 f 33.845  10.517  182.690    95.476   103.749    190.044  209.341    110.423  29.652  13.178  35.527  11.347  -5.875425      17.38995 
1 1 1 -22 11  32 o 19.582  8.7413  0.7002     84.599   -298.3311  178.385  87.472     96.093   19.225  9.5781  25.693  10.244  -6.468229      14.02411 
1 1 1 -22 11  33 o 32.517  8.6601  159.709    69.548   216.101    96.738   99.379     100.059  36.360  10.425  26.408  10.477  9.951996       14.78017 
1 1 1 -22 11  34 o 54.568  6.1975  404.505    80.602   400.172    108.855  409.765    119.923  51.379  9.0629  50.814  10.082  0.5647888      13.55688 
1 1 1 -22 11  35 o 35.563  8.2966  190.875    70.282   140.827    95.197   250.837    104.199  29.004  10.507  38.252  10.770  -9.247643      15.04604 
1 1 1 -22 11  36 o 20.301  8.1392  47.970     61.020   -19.9483   85.427   118.722    87.190   18.125  8.3579  27.002  10.010  -8.877115      13.04079 
1 1 1 -22 11  37 o 25.208  8.7869  99.361     66.000   27.678     92.096   175.045    94.631   20.798  9.2117  31.354  10.533  -10.55509      13.99303 
1 1 1 -22 11  38 o 22.236  8.5141  71.096     64.222   -11.1369   87.544   166.919    94.502   18.426  8.4838  30.316  10.517  -11.88978      13.51264 
1 1 1 -22 11  39 o 26.896  8.9127  119.237    67.793   162.528    92.301   68.529     99.896   29.800  10.391  23.014  9.9016  6.785801       14.35332 
1 1 1 -22 11  40 o 33.531  11.041  217.553    104.092  176.968    114.703  406.966    247.796  29.649  11.372  34.055  15.095  -4.405996      18.89975 
1 1 1 -22 11  41 o 16.801  7.9171  -37.1942   83.628   -92.7200   89.684   332.819    231.513  15.494  7.5310  32.217  14.415  -16.72266      16.26399 
1 1 1 -22 11  42 o 33.035  8.5881  176.724    69.478   184.443    96.585   168.447    100.017  31.215  10.641  29.651  10.765  1.564199       15.13664 
1 1 1 -22 11  43 o 38.786  7.8493  230.261    71.334   132.642    99.658   332.828    102.153  26.991  10.532  44.394  9.7502  -17.40274      14.35258 
1 1 1 -22 11  44 o 20.694  8.4233  54.993     66.459   13.834     92.984   97.976     95.022   19.736  8.9554  24.560  10.043  -4.824249      13.45591 
1 1 1 -22 11  45 o 29.760  10.798  172.742    100.604  175.635    291.944  172.353    107.168  27.551  13.435  29.378  11.057  -1.826342      17.40009 
1 1 1 -22 11  46 o 18.892  8.6820  4.1448     91.098   -589.9924  302.409  63.441     95.536   ?       ?       22.056  9.5855  0.000000       9.585516 
1 1 1 -22 11  47 o 19.840  8.9935  27.852     93.484   -345.7818  287.235  72.118     98.867   20.702  10.525  22.264  9.7125  -1.562506      14.32143 
1 1 1 -22 12  1  o 30.050  7.7813  121.686    57.185   132.864    84.511   112.245    77.664   31.178  9.9234  29.020  9.5359  2.158175       13.76250 
1 1 1 -22 12  2  o 39.187  6.5508  200.094    60.090   241.666    84.964   158.491    84.995   42.225  8.5852  33.773  9.7979  8.451672       13.02710 
1 1 1 -22 12  3  o 56.507  5.4786  404.177    74.173   458.949    101.895  342.442    108.179  59.381  7.2206  50.118  9.2360  9.262760       11.72352 
1 1 1 -22 12  4  o 41.277  6.8254  222.562    65.971   209.699    89.435   237.915    97.706   38.875  9.5502  41.293  9.8834  -2.417454      13.74366 
1 1 1 -22 12  5  o 84.065  6.4237  902.495    130.036  902.495    130.036  0.0000     0.0000   84.065  6.4237  ?       ?       0.000000       6.423723 
1 1 1 -22 12  6  o 42.008  14.342  268.998    175.475  268.998    175.475  0.0000     0.0000   42.008  14.342  ?       ?       0.000000       14.34224 
1 1 1 -22 12  7  o 67.703  13.407  683.929    212.447  683.929    212.447  0.0000     0.0000   67.703  13.407  ?       ?       0.000000       13.40664 
1 1 1 -22 12  8  o 40.086  9.7141  224.000    93.494   182.462    186.784  237.887    107.997  36.932  14.417  40.834  10.752  -3.902519      17.98482 
1 1 1 -22 12  9  o 37.292  9.0173  191.582    80.697   373.334    180.372  146.098    90.231   48.768  14.309  32.490  10.244  16.27846       17.59842 
1 1 1 -22 12  10 o 58.670  5.2873  434.960    74.459   483.195    116.288  401.442    96.937   60.297  8.1577  55.310  7.4092  4.987076       11.02018 
1 1 1 -22 12  11 o 46.089  6.2836  274.560    68.438   282.076    108.726  269.629    88.075   44.649  10.252  44.626  8.4432  0.2353287E-01  13.28146 
1 1 1 -22 12  12 o 29.280  8.1565  116.542    60.101   166.156    100.532  88.948     74.974   34.202  10.817  26.523  9.3569  7.678947       14.30207 
1 1 1 -22 12  13 o 14.982  6.8189  -27.0070   54.432   25.722     94.779   -52.9566   66.490   23.052  9.7724  15.437  7.2053  7.614521       12.14152 
1 1 1 -22 12  14 o 20.587  8.0797  39.028     58.911   161.443    98.703   -28.7115   73.423   33.624  10.727  17.577  7.9689  16.04701       13.36277 
1 1 1 -22 12  15 o 73.496  4.9360  680.700    87.514   881.672    132.964  527.099    116.241  82.437  6.7054  62.915  7.7803  19.52171       10.27114 
1 1 1 -22 12  16 o 62.185  5.1584  490.442    77.130   544.353    117.393  449.493    102.312  63.891  7.7297  58.207  7.4124  5.684547       10.70940 
1 1 1 -22 12  17 o 26.063  9.4533  85.996     77.094   0.0000     0.0000   85.996     77.094   ?       ?       26.063  9.4533  0.000000       9.453283 
1 1 1 -22 12  18 o 17.227  7.6317  -9.5287    63.248   0.0000     0.0000   -9.5287    63.248   ?       ?       17.227  7.6317  0.000000       7.631652 
1 1 1 -22 12  19 o 67.918  6.5765  603.974    107.022  0.0000     0.0000   603.974    107.022  ?       ?       67.918  6.5765  0.000000       6.576544 
1 1 1 -22 12  20 o 38.516  7.5336  202.571    67.884   366.370    119.501  124.529    82.486   50.112  10.175  29.609  9.8322  20.50329       14.14952 
1 1 1 -22 12  21 o 46.493  5.2572  278.062    58.265   205.865    79.748   360.724    85.333   38.027  8.8148  52.010  6.9347  -13.98238      11.21565 
1 1 1 -22 12  22 o 46.964  7.1351  297.215    78.750   209.432    92.007   537.688    152.282  37.569  9.9394  59.961  10.867  -22.39194      14.72700 
1 1 1 -22 12  23 o 26.291  8.6322  95.839     63.647   123.268    72.744   6.2873     131.442  29.281  9.1932  24.232  10.851  5.048889       14.22167 
1 1 1 -22 12  24 o 21.079  8.1700  47.689     59.654   43.828     67.705   61.090     126.134  21.387  8.5739  26.381  11.232  -4.994213      14.13021 
1 1 1 -22 12  25 o 69.635  4.6653  616.036    78.370   555.525    106.866  686.445    115.276  64.387  6.9506  71.872  6.6869  -7.484535      9.644974 
1 1 1 -22 12  26 o 47.639  6.1244  299.961    69.154   337.152    95.263   258.529    100.548  48.970  8.3146  41.382  10.102  7.588131       13.08362 
1 1 1 -22 12  27 o 32.941  8.0904  154.767    64.195   182.738    93.158   129.475    88.584   34.445  10.328  29.545  10.187  4.900654       14.50635 
1 1 1 -22 12  28 o 18.882  7.7535  27.724     56.932   70.012     78.746   -18.5900   82.408   24.049  9.3685  18.629  8.4445  5.420069       12.61257 
1 1 1 -22 12  29 o 36.857  10.219  211.721    94.567   192.280    178.598  219.295    111.476  33.492  13.740  36.557  11.365  -3.065361      17.83124 
1 1 1 -22 12  30 o 52.994  8.7699  408.466    108.824  352.488    201.827  431.411    129.217  40.762  15.207  52.685  10.477  -11.92234      18.46651 
1 1 1 -22 12  31 o 15.981  7.5905  -67.6092   79.768   36.280     169.132  -97.3283   90.460   26.245  11.974  16.155  7.7812  10.08984       14.28028 
1 1 1 -22 12  32 o 32.937  7.9411  158.942    62.723   235.630    89.033   83.377     88.379   38.931  9.5073  24.904  9.8571  14.02723       13.69494 
1 1 1 -22 12  33 o 38.360  7.8216  214.570    70.333   329.485    94.115   69.218     105.847  47.022  8.5644  24.425  10.339  22.59703       13.42574 
1 1 1 -22 12  34 o 21.749  8.3838  61.690     62.554   94.243     84.396   22.005     93.184   25.208  9.7323  20.925  9.2670  4.283005       13.43857 
1 1 1 -22 12  35 o 24.811  8.7936  93.837     66.292   48.798     93.632   139.106    93.870   22.232  9.5756  28.581  10.421  -6.348518      14.15257 
1 1 1 -22 12  36 o 33.846  8.6022  180.191    70.794   151.879    95.488   214.746    105.493  29.288  10.535  34.065  11.110  -4.777088      15.31089 
1 1 1 -22 12  37 o 18.354  7.8511  25.730     62.156   51.533     84.040   -5.4279    92.349   21.519  9.1650  19.046  8.7486  2.472889       12.67022 
1 1 1 -22 12  38 o 14.891  6.8543  -18.9038   57.086   -31.0878   80.455   -6.5507    81.011   16.825  7.8767  17.970  8.2321  -1.145691      11.39340 
1 1 1 -22 12  39 o 33.639  10.893  216.805    101.494  206.475    107.937  295.670    298.230  32.198  11.236  29.888  14.327  2.310040       18.20748 
1 1 1 -22 12  40 o 25.605  10.345  114.734    99.413   135.169    107.048  -13.3814   268.035  26.887  10.780  24.729  12.219  2.157248       16.29472 
1 1 1 -22 12  41 o 18.790  8.5258  7.6427     84.264   2.7724     90.179   41.161     236.575  18.983  8.6922  25.077  12.199  -6.093519      14.97868 
1 1 1 -22 12  42 o 21.714  8.5942  67.234     67.181   88.766     92.456   43.147     97.784   23.875  9.8512  21.401  9.4846  2.474018       13.67495 
1 1 1 -22 12  43 o 26.253  8.9022  114.717    67.600   78.077     90.340   161.337    101.903  23.126  9.6558  28.946  10.804  -5.819235      14.49000 
1 1 1 -22 12  44 o 21.874  9.3320  61.429     87.395   -143.4652  210.624  104.042    96.054   21.315  10.584  24.784  10.112  -3.469027      14.63818 
1 1 1 -22 12  45 o 19.208  8.7823  10.407     91.600   -171.7278  225.128  46.542     100.275  21.142  10.569  21.359  9.5270  -0.2163429     14.22879 
1 1 1 -22 12  46 o 18.507  8.4399  10.822     83.914   -37.0426   214.247  19.496     91.201   22.315  11.007  19.359  8.8170  2.955568       14.10303 
1 1 1 -22 13  1  o 72.908  4.8377  666.462    85.094   578.972    120.182  754.419    120.502  66.381  7.5985  76.588  6.5473  -10.20684      10.03017 
1 1 1 -22 13  2  o 69.597  5.2666  610.940    88.280   595.110    124.750  626.819    124.944  67.204  7.7951  69.140  7.5715  -1.935471      10.86694 
1 1 1 -22 13  3  o 65.754  5.3937  546.518    85.296   710.584    121.908  389.172    119.386  74.158  6.8525  53.124  9.6158  21.03376       11.80770 
1 1 1 -22 13  4  o 45.181  9.2301  280.910    97.769   280.910    97.769   0.0000     0.0000   45.181  9.2301  ?       ?       0.000000       9.230108 
1 1 1 -22 13  5  o 42.266  14.313  277.370    174.734  277.370    174.734  0.0000     0.0000   42.266  14.313  ?       ?       0.000000       14.31253 
1 1 1 -22 13  6  o 74.285  13.181  822.698    228.876  822.698    228.876  0.0000     0.0000   74.285  13.181  ?       ?       0.000000       13.18076 
1 1 1 -22 13  7  o 66.455  7.1524  575.041    113.514  770.746    205.791  489.455    136.090  72.912  12.053  59.581  9.7510  13.33055       15.50380 
1 1 1 -22 13  8  o 68.926  6.6503  613.096    109.840  908.589    212.451  505.293    128.322  79.974  11.260  61.100  8.9183  18.87407       14.36397 
1 1 1 -22 13  9  o 66.597  4.6792  555.656    75.131   567.480    112.811  546.230    100.718  65.944  7.1657  65.111  6.4605  0.8335190      9.648045 
1 1 1 -22 13  10 o 56.135  5.1408  398.464    69.243   442.335    107.299  367.155    90.643   57.687  7.8712  52.828  7.2636  4.858833       10.71054 
1 1 1 -22 13  11 o 48.118  5.6726  296.487    64.957   247.324    109.281  323.347    80.775   41.273  10.791  49.689  6.8846  -8.416580      12.79993 
1 1 1 -22 13  12 o 55.311  5.6233  390.768    74.419   424.156    116.893  368.012    96.503   55.651  8.9610  52.481  7.8169  3.169292       11.89127 
1 1 1 -22 13  13 o 37.876  7.2234  191.891    63.963   227.938    107.166  171.945    79.719   39.420  10.858  34.934  9.2565  4.486229       14.26817 
1 1 1 -22 13  14 o 66.902  5.2271  567.811    84.179   678.602    129.623  487.008    110.699  71.527  7.5844  60.402  7.7305  11.12559       10.82980 
1 1 1 -22 13  15 o 97.245  4.6665  1185.31    110.108  1240.07    161.595  1137.84    150.436  97.462  6.8774  93.537  6.6721  3.925041       9.582088 
1 1 1 -22 13  16 o 71.503  5.4127  652.076    93.212   542.708    153.720  715.673    117.221  61.066  10.768  74.076  6.5906  -13.00987      12.62479 
1 1 1 -22 13  17 f 43.976  8.7061  269.988    89.609   0.0000     0.0000   269.988    89.609   ?       ?       43.976  8.7061  0.000000       8.706051 
1 1 1 -22 13  18 o 34.513  9.8944  174.292    87.140   0.0000     0.0000   174.292    87.140   ?       ?       34.513  9.8944  0.000000       9.894365 
1 1 1 -22 13  19 o 69.319  5.2209  613.798    87.170   586.281    145.630  629.161    108.816  64.086  9.6659  69.205  6.5585  -5.119614      11.68091 
1 1 1 -22 13  20 o 106.589 4.3114  1424.93    111.506  1213.76    156.555  1642.35    158.856  95.927  6.7695  112.802 5.8238  -16.87479      8.929906 
1 1 1 -22 13  21 o 77.223  6.0486  776.760    112.429  752.306    135.597  830.552    201.110  74.550  7.6026  73.653  11.640  0.8963470      13.90286 
1 1 1 -22 13  22 o 32.910  8.2218  153.592    65.464   193.393    74.611   20.476     136.449  36.840  8.5172  25.106  11.162  11.73329       14.04005 
1 1 1 -22 13  23 o 42.882  7.6291  253.585    76.471   220.578    88.914   347.376    149.882  38.649  9.5391  45.415  12.962  -6.765995      16.09386 
1 1 1 -22 13  24 o 51.895  5.1413  346.885    63.887   341.960    88.278   352.300    92.575   49.961  7.5148  50.502  7.8065  -0.5411263     10.83580 
1 1 1 -22 13  25 o 16.910  7.2173  9.6014     52.316   7.5582     72.189   11.862     75.925   19.088  8.3139  19.746  8.5634  -0.6578102     11.93536 
1 1 1 -22 13  26 o 10.020  4.9907  -114.8929  48.292   -188.1982  71.473   -53.3152   65.507   11.620  5.8297  14.949  7.0330  -3.328343      9.134998 
1 1 1 -22 13  27 o 18.414  7.6749  22.322     56.935   106.761    78.723   -70.2825   82.442   27.245  9.5906  16.364  7.7559  10.88104       12.33421 
1 1 1 -22 13  28 o 37.152  9.9236  212.841    91.152   294.774    188.118  187.703    104.201  38.553  14.617  34.070  11.037  4.482964       18.31615 
1 1 1 -22 13  29 o 15.820  7.4553  -56.2991   74.181   -7.8269    167.493  -68.1271   82.738   24.970  11.580  16.365  7.7603  8.604816       13.94023 
1 1 1 -22 13  30 o 33.788  10.585  186.173    96.498   16.115     193.285  242.633    111.370  26.520  12.347  37.958  11.272  -11.43847      16.71860 
1 1 1 -22 13  31 o 20.473  8.0424  47.940     58.420   104.660    83.010   -7.7230    82.233   26.463  9.7760  18.771  8.4785  7.692600       12.94047 
1 1 1 -22 13  32 o 19.794  8.0487  39.798     60.600   143.650    83.468   -75.9642   88.125   29.800  9.8903  16.409  7.8450  13.39105       12.62387 
1 1 1 -22 13  33 o 26.078  8.6130  103.941    63.330   46.489     87.862   166.063    91.364   21.952  9.3608  31.299  10.346  -9.347149      13.95194 
1 1 1 -22 13  34 o 22.172  8.3566  68.344     61.255   87.009     84.734   47.912     88.654   24.406  9.6543  21.895  9.3714  2.510386       13.45467 
1 1 1 -22 13  35 o 52.678  6.7407  393.155    84.181   241.529    115.095  567.575    123.444  35.478  11.606  60.836  8.6026  -25.35751      14.44673 
1 1 1 -22 13  36 o 19.281  8.0283  38.117     62.210   44.758     83.825   29.975     92.816   21.065  9.0665  20.745  9.2148  0.3200455      12.92724 
1 1 1 -22 13  37 o 30.938  8.9776  159.043    71.350   217.573    97.505   91.573     104.687  34.271  10.625  24.382  10.300  9.889835       14.79735 
1 1 1 -22 13  38 o 22.794  8.6244  79.863     65.405   48.727     87.644   118.995    98.256   21.212  9.1999  25.918  10.351  -4.705906      13.84817 
1 1 1 -22 13  39 f 19.833  9.0242  15.072     95.241   10.995     102.060  42.563     265.015  20.059  9.2077  25.380  12.465  -5.321299      15.49674 
1 1 1 -22 13  40 o 28.694  10.589  157.430    97.341   136.481    103.995  305.601    276.572  26.925  10.681  29.990  14.212  -3.065660      17.77820 
1 1 1 -22 13  41 o 28.289  8.9952  135.379    69.454   141.308    99.346   129.711    97.136   27.421  10.567  26.624  10.396  0.7973156      14.82325 
1 1 1 -22 13  42 o 15.865  7.1633  -3.8176    58.635   26.860     81.506   -36.7243   84.415   19.594  8.6726  16.848  7.9440  2.745026       11.76101 
1 1 1 -22 13  43 o 17.737  8.1938  -10.6433   82.659   -186.2255  202.454  24.481     90.550   20.368  10.157  19.950  8.9645  0.4186554      13.54707 
1 1 1 -22 13  44 o 24.540  10.168  104.329    99.101   451.238    237.157  30.938     109.081  34.580  15.065  21.020  9.6004  13.55987       17.86399 
1 1 1 -22 13  45 o 25.344  10.304  122.593    99.306   137.323    225.671  119.056    110.589  25.610  12.324  25.002  10.575  0.6078873      16.23950 
1 1 1 -22 14  1  o 44.630  7.0134  262.317    73.445   304.335    104.539  221.364    103.206  46.706  9.5469  39.160  10.602  7.545975       14.26676 
1 1 1 -22 14  2  o 59.956  5.6126  457.611    80.701   371.783    115.710  538.903    112.610  51.761  9.5653  64.061  7.3795  -12.30005      12.08108 
1 1 1 -22 14  3  o 58.807  7.6352  457.154    106.376  509.599    192.562  434.120    127.616  56.975  14.024  55.897  9.7645  1.077370       17.08831 
1 1 1 -22 14  4  o 24.091  11.042  -49.1838   146.033  -49.1838   146.033  0.0000     0.0000   24.091  11.042  ?       ?       0.000000       11.04205 
1 1 1 -22 14  5  o 62.964  13.755  612.560    204.266  612.560    204.266  0.0000     0.0000   62.964  13.755  ?       ?       0.000000       13.75508 
1 1 1 -22 14  6  o 60.932  8.0159  494.595    115.635  358.511    198.657  564.333    142.211  46.534  15.249  64.109  9.4233  -17.57531      17.92589 
1 1 1 -22 14  7  o 40.409  9.6962  230.335    93.855   271.363    178.863  214.746    110.253  41.385  14.463  38.319  11.171  3.065235       18.27513 
1 1 1 -22 14  8  o 27.179  7.5506  99.643     51.576   169.100    84.910   59.032     64.927   34.582  9.7168  23.001  8.6163  11.58033       12.98674 
1 1 1 -22 14  9  o 89.483  4.3963  997.331    95.453   1000.24    139.838  994.795    130.615  87.994  6.5976  88.103  6.1485  -0.1096725     9.018407 
1 1 1 -22 14  10 o 75.651  4.5854  717.256    83.772   846.489    124.501  610.343    113.241  81.027  6.3842  68.381  6.9203  12.64680       9.415374 
1 1 1 -22 14  11 o 64.960  4.7947  531.494    75.040   623.570    112.113  456.766    101.000  69.179  6.7657  58.843  7.2258  10.33570       9.898833 
1 1 1 -22 14  12 o 27.491  7.9514  103.130    56.053   144.260    90.441   77.478     71.425   31.856  10.279  25.047  9.0969  6.809069       13.72630 
1 1 1 -22 14  13 o 48.178  6.3884  303.276    72.838   339.987    119.219  281.410    92.007   48.395  10.458  45.054  8.7317  3.341232       13.62391 
1 1 1 -22 14  14 o 68.084  5.2163  589.480    85.518   644.309    129.515  547.096    113.872  69.276  7.8432  64.077  7.4639  5.199059       10.82701 
1 1 1 -22 14  15 o 42.934  6.7071  244.365    67.586   237.584    111.071  248.352    85.168   39.662  11.102  42.198  8.6096  -2.535824      14.04949 
1 1 1 -22 14  16 f 48.190  8.4646  321.703    95.364   0.0000     0.0000   321.703    95.364   ?       ?       48.190  8.4646  0.000000       8.464644 
1 1 1 -22 14  17 o 23.059  8.8057  60.512     68.582   0.0000     0.0000   60.512     68.582   ?       ?       23.059  8.8057  0.000000       8.805719 
1 1 1 -22 14  18 f 83.849  5.8594  909.285    118.461  938.944    249.606  900.663    134.583  75.121  14.215  82.602  6.7745  -7.480774      15.74639 
1 1 1 -22 14  19 o 115.963 5.0921  1710.15    143.277  1829.00    230.548  1635.37    182.881  115.443 8.2857  111.248 6.8078  4.194473       10.72371 
1 1 1 -22 14  20 o 25.903  8.4055  92.902     60.413   115.563    66.783   -9.1769    141.742  28.477  8.7870  24.286  11.034  4.190458       14.10558 
1 1 1 -22 14  21 o 41.344  7.6099  235.873    73.528   243.141    87.056   217.785    137.335  41.049  8.9894  36.310  12.674  4.738518       15.53856 
1 1 1 -22 14  22 o 27.439  8.6139  107.009    63.868   109.690    74.572   99.628     123.723  27.736  9.3503  28.286  11.501  -0.5499649     14.82221 
1 1 1 -22 14  23 o 90.910  4.3252  1041.15    95.407   997.414    134.210  1085.83    135.653  86.906  6.4099  90.943  6.1842  -4.037415      8.906772 
1 1 1 -22 14  24 o 42.542  6.4670  242.719    64.653   267.977    90.722   216.652    92.163   42.953  8.9930  37.817  9.9205  5.136696       13.38993 
1 1 1 -22 14  25 o 21.351  8.0528  54.119     56.908   59.598     82.389   49.119     78.698   23.460  9.4393  22.439  9.1537  1.020315       13.14877 
1 1 1 -22 14  26 o 24.837  8.3250  86.178     59.112   127.740    85.109   47.444     82.162   29.181  9.9883  22.482  9.2824  6.699043       13.63559 
1 1 1 -22 14  27 o 22.546  9.0672  55.128     75.981   -11.3862   169.840  71.771     84.956   25.126  11.656  24.320  9.6522  0.8064308      15.13359 
1 1 1 -22 14  28 o 48.460  9.2657  350.508    104.978  156.223    195.272  429.484    124.499  31.474  13.691  52.887  10.070  -21.41296      16.99564 
1 1 1 -22 14  29 o 45.181  9.6304  313.442    102.348  418.136    193.499  272.773    120.599  44.185  15.061  39.763  11.710  4.421787       19.07768 
1 1 1 -22 14  30 o 42.827  6.7845  254.562    68.153   249.357    95.492   259.966    97.299   39.555  9.9567  40.397  9.9838  -0.8416672     14.10009 
1 1 1 -22 14  31 o 22.625  8.4328  69.982     62.038   115.833    85.714   19.539     89.906   27.173  9.9507  20.678  9.1328  6.494600       13.50644 
1 1 1 -22 14  32 o 18.169  7.8173  18.732     62.273   76.494     87.335   -41.0059   88.817   23.882  9.6801  17.639  8.2636  6.243164       12.72758 
1 1 1 -22 14  33 o 42.735  7.0123  261.157    70.190   221.262    96.646   305.688    102.107  35.718  10.473  43.080  9.9663  -7.362240      14.45691 
1 1 1 -22 14  34 o 19.025  7.9732  33.760     61.933   116.463    85.274   -58.5615   90.097   26.494  9.8843  16.863  8.0259  9.630840       12.73246 
1 1 1 -22 14  35 o 37.475  8.3109  218.738    73.591   302.326    104.076  135.160    104.070  41.678  10.341  27.385  10.742  14.29264       14.91035 
1 1 1 -22 14  36 o 15.084  6.9523  -19.1354   59.004   24.711     83.258   -63.3755   83.631   19.684  8.7364  15.864  7.6000  3.819947       11.57951 
1 1 1 -22 14  37 o 30.255  8.8364  152.673    68.925   146.537    92.768   160.234    102.980  28.066  10.341  28.711  10.832  -0.6450043     14.97532 
1 1 1 -22 14  38 o 25.309  10.381  112.713    101.914  100.212    109.590  192.690    277.194  24.595  10.470  27.714  13.416  -3.119335      17.01778 
1 1 1 -22 14  39 o 17.694  8.1996  -13.2176   83.736   14.899     88.280   -265.4352  264.405  19.321  8.7506  21.466  10.825  -2.145447      13.91976 
1 1 1 -22 14  40 o 29.106  8.8801  142.818    68.432   157.393    91.792   124.581    102.675  28.909  10.337  26.075  10.521  2.834177       14.74940 
1 1 1 -22 14  41 o 18.934  7.9963  36.126     63.075   -15.7485   84.694   100.729    94.515   17.694  8.2163  24.555  10.026  -6.860256      12.96228 
1 1 1 -22 14  42 o 27.763  10.650  148.803    100.593  213.174    233.810  134.181    111.433  28.253  13.291  26.518  10.863  1.734539       17.16565 
1 1 1 -22 14  43 f 26.718  10.541  137.763    100.772  -64.1399   237.251  182.206    111.312  22.856  11.330  29.429  11.223  -6.573650      15.94729 
1 1 1 -22 14  44 o 19.867  9.1283  19.453     100.643  0.0000     0.0000   19.453     100.643  ?       ?       19.867  9.1283  0.000000       9.128310 
1 1 1 -22 14  45 o 21.680  9.3503  71.404     89.519   183.497    222.096  49.661     97.816   25.759  12.352  20.755  9.3225  5.003832       15.47511 
1 1 1 -22 15  1  o 17.910  7.8495  -4.4852    65.248   -40.2300   88.930   37.192     96.027   18.876  8.6389  23.765  9.9415  -4.889080      13.17062 
1 1 1 -22 15  2  o 35.093  9.9233  175.724    88.265   212.864    160.770  159.698    105.604  37.509  13.644  33.407  11.127  4.101933       17.60578 
1 1 1 -22 15  3  o 57.754  13.998  529.513    194.121  529.513    194.121  0.0000     0.0000   57.754  13.998  ?       ?       0.000000       13.99850 
1 1 1 -22 15  4  o 54.732  14.415  485.125    194.093  485.125    194.093  0.0000     0.0000   54.732  14.415  ?       ?       0.000000       14.41526 
1 1 1 -22 15  5  o 42.126  14.557  288.237    180.937  288.237    180.937  0.0000     0.0000   42.126  14.557  ?       ?       0.000000       14.55656 
1 1 1 -22 15  6  o 23.741  8.9021  64.198     69.340   32.374     101.721  91.821     94.770   23.935  10.134  27.521  10.389  -3.585329      14.51317 
1 1 1 -22 15  7  o 35.728  7.1033  170.795    59.411   218.335    96.167   141.451    75.553   38.956  10.092  31.758  9.2446  7.197952       13.68648 
1 1 1 -22 15  8  o 58.251  5.1089  430.154    71.480   524.733    110.811  362.753    93.544   62.983  7.3914  52.115  7.6229  10.86822       10.61801 
1 1 1 -22 15  9  o 55.015  5.2186  384.982    68.828   488.725    104.822  306.350    91.258   60.819  7.2458  47.436  8.2269  13.38310       10.96283 
1 1 1 -22 15  10 o 84.235  4.5159  889.732    91.963   983.704    135.519  809.521    125.204  87.141  6.4553  78.900  6.6006  8.241104       9.232512 
1 1 1 -22 15  11 o 69.611  4.6688  610.221    78.401   603.546    116.602  615.729    105.918  67.554  7.2256  68.832  6.4158  -1.277130      9.662946 
1 1 1 -22 15  12 o 20.449  7.5902  46.909     50.156   30.626     85.277   55.521     62.018   22.231  9.3384  22.257  8.4037  -0.2529144E-01 12.56292 
1 1 1 -22 15  13 o 52.760  5.3095  356.351    67.047   406.369    107.412  324.422    85.819   54.385  8.4113  49.131  7.4309  5.253147       11.22352 
1 1 1 -22 15  14 o 24.711  8.4224  80.658     60.512   105.666    100.882  66.604     75.628   28.417  10.721  24.091  9.2357  4.326628       14.15047 
1 1 1 -22 15  15 o 82.340  6.7761  892.935    134.178  0.0000     0.0000   892.935    134.178  ?       ?       82.340  6.7761  0.000000       6.776093 
1 1 1 -22 15  16 o 22.126  8.7878  48.713     70.468   0.0000     0.0000   48.713     70.468   ?       ?       22.126  8.7878  0.000000       8.787765 
1 1 1 -22 15  17 o 80.456  6.6830  854.700    129.285  0.0000     0.0000   854.700    129.285  ?       ?       80.456  6.6830  0.000000       6.683043 
1 1 1 -22 15  18 o 63.920  5.6998  529.758    87.475   566.962    148.318  509.915    108.319  62.111  10.195  61.377  7.4243  0.7342720      12.61212 
1 1 1 -22 15  19 o 17.096  7.2858  9.9515     53.171   43.403     55.674   -337.1389  179.336  20.330  7.8890  19.272  9.6020  1.057245       12.42721 
1 1 1 -22 15  20 o 42.636  7.9329  253.551    79.047   239.335    85.772   333.685    203.638  40.700  8.9306  41.485  15.314  -0.7847672     17.72823 
1 1 1 -22 15  21 o 32.497  8.3683  151.600    66.383   189.403    72.173   -56.0534   169.153  36.418  8.3462  24.288  11.387  12.12952       14.11808 
1 1 1 -22 15  22 o 39.612  5.8607  207.370    54.629   198.864    74.296   217.381    80.603   37.247  8.4187  38.738  8.7783  -1.490929      12.16279 
1 1 1 -22 15  23 o 42.103  6.4462  238.034    63.757   263.800    88.866   210.703    91.525   42.639  8.8780  37.195  9.9478  5.444157       13.33335 
1 1 1 -22 15  24 o 15.673  6.9367  -5.8016    52.132   50.059     74.014   -60.8008   73.441   22.141  8.9333  15.642  7.3855  6.499202       11.59088 
1 1 1 -22 15  25 o 11.842  5.7057  -64.7372   48.742   -100.3788  69.031   -29.3006   68.832   13.564  6.5962  16.466  7.5595  -2.901611      10.03269 
1 1 1 -22 15  26 o 28.500  9.8963  122.407    83.677   -41.6147   182.024  166.357    94.223   24.800  11.685  32.362  10.497  -7.561245      15.70734 
1 1 1 -22 15  27 o 35.556  10.089  200.090    91.071   360.100    194.640  155.241    103.046  41.085  15.002  30.973  10.965  10.11262       18.58245 
1 1 1 -22 15  28 o 70.994  7.2622  701.026    123.338  867.705    244.975  644.429    142.751  65.390  15.649  65.644  9.2162  -0.2534561     18.16105 
1 1 1 -22 15  29 o 65.226  5.2629  559.120    82.585   554.115    118.347  563.871    115.298  61.903  8.0712  62.864  7.7212  -0.9611511     11.16965 
1 1 1 -22 15  30 o 28.183  8.4806  121.303    62.730   160.367    89.309   83.265     88.129   31.037  10.227  24.556  9.8040  6.480658       14.16731 
1 1 1 -22 15  31 o 16.041  7.1344  -1.6695    55.801   102.722    80.922   -96.3106   77.051   25.760  9.6252  14.394  6.9926  11.36562       11.89710 
1 1 1 -22 15  32 o 21.363  8.4339  58.809     64.547   87.376     91.874   30.967     90.702   24.503  9.9295  20.967  9.2205  3.535183       13.55037 
1 1 1 -22 15  33 o 27.610  9.1660  125.142    71.689   192.909    100.885  56.020     101.889  32.331  10.876  22.696  9.8814  9.634928       14.69429 
1 1 1 -22 15  34 o 24.028  8.4560  90.194     61.195   126.418    86.979   54.688     86.113   26.979  9.9989  21.721  9.2648  5.258078       13.63136 
1 1 1 -22 15  35 o 15.374  7.0204  -12.0800   58.302   87.960     80.372   -123.1857  84.701   23.676  9.3909  14.165  6.9744  9.510924       11.69747 
1 1 1 -22 15  36 o 30.447  8.8727  155.485    69.561   248.596    93.875   42.105     103.590  37.260  10.121  21.480  9.6247  15.77930       13.96681 
1 1 1 -22 15  37 o 14.908  7.2915  -103.6553  87.880   -97.7177   93.236   -150.9262  263.072  15.570  7.5927  22.578  11.306  -7.007293      13.61927 
1 1 1 -22 15  38 o 19.388  8.7836  16.506     89.025   25.232     93.284   -72.5619   298.027  20.060  9.0485  24.058  12.046  -3.997986      15.06570 
1 1 1 -22 15  39 o 28.705  8.9399  140.364    68.946   69.054     92.845   228.029    102.944  22.397  9.5883  34.008  10.966  -11.61075      14.56660 
1 1 1 -22 15  40 o 43.437  7.4709  284.988    75.901   348.267    105.110  216.038    109.719  44.808  9.9289  32.414  11.328  12.39418       15.06316 
1 1 1 -22 15  41 o 22.973  9.5623  80.265     88.212   221.168    210.340  50.194     97.170   28.600  13.162  21.492  9.4934  7.107580       16.22803 
1 1 1 -22 15  42 o 15.093  7.3189  -79.6714   83.390   178.500    195.634  -136.9948  92.184   27.174  12.572  14.401  7.1247  12.77299       14.45028 
1 1 1 -22 15  43 o 34.655  11.215  251.174    107.598  370.672    236.861  220.103    120.779  30.924  14.133  30.892  11.712  0.3213310E-01  18.35515 
1 1 1 -22 15  44 o 16.109  7.6380  -33.0498   80.100   -116.9045  209.083  -18.6259   86.715   20.519  10.246  17.187  8.0877  3.332558       13.05367 
1 1 1 -22 16  1  o 74.041  6.8380  716.492    121.460  814.057    209.356  666.992    149.122  73.804  12.111  69.628  9.0399  4.175713       15.11271 
1 1 1 -22 16  2  o 97.744  11.599  1399.82    269.725  1399.82    269.725  0.0000     0.0000   97.744  11.599  ?       ?       0.000000       11.59921 
1 1 1 -22 16  3  o 132.432 11.210  2535.27    356.825  2535.27    356.825  0.0000     0.0000   132.432 11.210  ?       ?       0.000000       11.20974 
1 1 1 -22 16  4  o 102.719 11.432  1538.24    280.085  1538.24    280.085  0.0000     0.0000   102.719 11.432  ?       ?       0.000000       11.43159 
1 1 1 -22 16  5  o 64.626  5.5882  533.887    86.766   645.454    121.525  417.875    123.922  69.921  7.2692  54.413  9.7439  15.50874       12.15666 
1 1 1 -22 16  6  o 30.158  7.8601  125.015    58.101   132.537    99.249   121.093    71.665   30.818  10.773  29.483  9.1033  1.335079       14.10454 
1 1 1 -22 16  7  o 32.727  8.4147  149.228    67.193   166.039    108.383  138.732    85.637   33.666  11.273  31.244  9.9940  2.421551       15.06508 
1 1 1 -22 16  8  f 42.658  6.3228  238.591    63.463   292.361    99.325   201.496    82.499   45.507  9.3091  37.713  9.1164  7.794144       13.02944 
1 1 1 -22 16  9  o 11.787  5.6407  -57.6999   45.794   -16.2170   76.262   -81.0924   57.268   18.464  8.2666  12.733  6.1469  5.731023       10.30154 
1 1 1 -22 16  10 o 24.027  8.0637  75.741     55.459   189.940    88.486   1.8577     71.173   36.141  9.8301  18.906  8.2443  17.23467       12.82963 
1 1 1 -22 16  11 o 57.019  5.1097  414.470    69.943   475.984    107.948  369.959    91.826   59.444  7.6626  52.489  7.4165  6.954563       10.66393 
1 1 1 -22 16  12 o 13.663  6.2828  -28.8093   47.808   -5.9394    79.575   -41.7266   59.804   19.332  8.5625  14.848  6.8976  4.484801       10.99518 
1 1 1 -22 16  13 o 60.427  5.0052  465.266    72.726   552.930    111.916  401.190    95.682   64.256  7.3083  54.567  7.4190  9.688519       10.41405 
1 1 1 -22 16  14 o 38.011  8.8923  206.628    80.555   0.0000     0.0000   206.628    80.555   ?       ?       38.011  8.8923  0.000000       8.892298 
1 1 1 -22 16  15 o 116.962 6.5875  1798.15    186.190  0.0000     0.0000   1798.15    186.190  ?       ?       116.962 6.5875  0.000000       6.587526 
1 1 1 -22 16  16 o 76.157  6.7976  770.269    124.292  0.0000     0.0000   770.269    124.292  ?       ?       76.157  6.7976  0.000000       6.797626 
1 1 1 -22 16  17 o 52.154  6.1980  358.628    76.897   368.380    128.836  353.231    95.841   48.846  11.120  50.401  8.1123  -1.554157      13.76441 
1 1 1 -22 16  18 o 31.657  8.7496  145.246    69.449   139.425    74.329   185.259    194.875  30.841  9.2204  34.147  14.213  -3.305538      16.94171 
1 1 1 -22 16  19 o 36.861  8.1891  192.960    71.339   214.971    76.533   47.129     196.999  38.841  8.3677  28.805  13.057  10.03683       15.50782 
1 1 1 -22 16  20 o 17.674  7.5533  11.432     57.434   3.0359     60.315   93.083     188.088  17.417  7.5922  29.982  13.227  -12.56508      15.25136 
1 1 1 -22 16  21 o 36.182  6.4723  176.891    54.736   109.704    71.833   269.912    84.523   27.575  9.1762  43.602  8.2922  -16.02756      12.36786 
1 1 1 -22 16  22 o 38.120  7.2177  200.892    64.314   260.910    95.677   151.418    86.868   41.697  9.6481  31.483  10.065  10.21398       13.94249 
1 1 1 -22 16  23 o 23.769  8.2616  76.908     58.324   80.210     84.054   73.842     80.995   25.028  9.6986  24.383  9.5006  0.6446552      13.57659 
1 1 1 -22 16  24 o 14.460  6.6022  -22.2991   51.537   -21.5648   78.970   -22.8438   68.020   18.005  8.2020  16.675  7.6022  1.330427       11.18329 
1 1 1 -22 16  25 o 47.349  8.6706  327.030    95.945   518.522    201.031  270.546    109.182  50.697  15.165  40.924  10.828  9.773205       18.63390 
1 1 1 -22 16  26 o 13.070  6.3403  -86.8658   62.725   -193.8766  177.692  -71.6335   67.040   20.893  10.250  14.230  6.8138  6.662584       12.30802 
1 1 1 -22 16  27 o 55.638  8.4878  452.916    110.958  554.843    230.326  422.113    126.619  48.236  16.432  51.427  10.502  -3.190338      19.50139 
1 1 1 -22 16  28 o 14.823  6.7917  -22.0273   55.182   35.976     80.796   -72.7392   75.547   21.046  8.9756  15.141  7.2456  5.905122       11.53520 
1 1 1 -22 16  29 f 22.184  8.2167  67.469     58.717   27.166     82.650   108.540    83.433   20.485  8.9091  26.420  9.7928  -5.935127      13.23900 
1 1 1 -22 16  30 o 15.351  6.9466  -11.5569   55.493   -52.8070   81.585   23.959     75.702   16.396  7.7547  19.618  8.5293  -3.221649      11.52754 
1 1 1 -22 16  31 o 38.068  7.3728  212.276    65.642   222.274    96.796   203.763    89.318   35.615  10.492  34.546  10.050  1.068466       14.52872 
1 1 1 -22 16  32 o 33.424  8.1163  172.709    65.166   184.574    95.367   162.317    89.253   31.885  10.571  30.259  10.229  1.625675       14.71019 
1 1 1 -22 16  33 o 29.504  8.6212  141.377    65.595   230.420    94.872   59.828     90.793   35.869  10.336  22.176  9.4875  13.69334       14.03005 
1 1 1 -22 16  34 o 27.487  8.8054  125.905    66.459   255.174    93.336   -7.0312    94.651   38.129  9.9742  18.871  8.7355  19.25814       13.25879 
1 1 1 -22 16  35 o 23.082  8.5810  84.380     64.158   121.088    95.918   54.659     86.307   25.861  10.258  21.346  9.1936  4.514742       13.77529 
1 1 1 -22 16  36 o 16.266  7.7911  -57.6830   87.813   -52.7515   95.915   -83.2302   218.307  17.110  8.1812  22.208  10.983  -5.097811      13.69525 
1 1 1 -22 16  37 o 33.843  11.113  231.375    105.480  170.654    113.165  633.426    291.194  28.589  11.205  36.524  16.267  -7.934408      19.75271 
1 1 1 -22 16  38 o 14.597  6.8760  -35.6004   62.971   -59.6945   84.382   -5.3173    94.601   15.874  7.6125  18.733  8.6933  -2.858768      11.55526 
1 1 1 -22 16  39 o 36.463  8.3805  213.988    72.593   227.596    99.287   198.359    106.406  34.314  10.735  31.120  11.129  3.193888       15.46263 
1 1 1 -22 16  40 o 16.117  7.6766  -48.5821   82.755   73.271     210.829  -70.7759   89.976   24.809  11.932  16.022  7.7275  8.786856       14.21570 
1 1 1 -22 16  41 o 25.729  10.119  123.083    92.579   60.169     215.294  137.355    102.544  24.342  11.793  26.504  10.577  -2.161657      15.84185 
1 1 1 -22 16  42 o 12.707  6.3004  -124.5378  73.548   -154.4849  193.231  -119.4642  79.534   19.862  9.9073  13.479  6.6593  6.383221       11.93735 
1 1 1 -22 16  43 o 19.968  8.8853  42.841     86.656   6.8270     215.540  49.784     94.641   22.437  11.062  20.630  9.2247  1.807596       14.40391 
1 1 1 -22 17  1  o 54.243  8.7353  406.853    111.067  418.391    202.131  401.862    132.934  48.684  15.331  52.233  10.844  -3.549858      18.77821 
1 1 1 -22 17  2  o 58.197  14.223  558.283    199.148  558.283    199.148  0.0000     0.0000   58.197  14.223  ?       ?       0.000000       14.22322 
1 1 1 -22 17  3  o 53.813  9.2666  406.285    116.631  406.285    116.631  0.0000     0.0000   53.813  9.2666  ?       ?       0.000000       9.266601 
1 1 1 -22 17  4  o 58.754  5.8997  445.848    82.970   320.191    115.176  581.403    119.626  46.794  10.412  65.901  7.6218  -19.10630      12.90379 
1 1 1 -22 17  5  o 57.648  5.4991  426.147    75.987   454.519    115.003  404.162    101.233  57.538  8.4927  54.659  7.8590  2.878460       11.57106 
1 1 1 -22 17  6  o 34.037  7.4255  158.050    59.600   33.924     102.652  221.170    73.202   23.822  10.137  40.230  7.7805  -16.40749      12.77887 
1 1 1 -22 17  7  o 38.950  7.0432  203.833    64.114   232.179    107.727  188.286    79.782   39.266  10.914  36.336  9.0758  2.930290       14.19431 
1 1 1 -22 17  8  o 18.229  7.5878  18.576     55.543   40.983     102.538  9.2714     66.078   24.163  10.200  18.771  8.0638  5.392675       13.00215 
1 1 1 -22 17  9  o 38.958  6.6670  202.426    60.756   167.117    102.096  221.786    75.600   33.455  10.931  40.040  8.0605  -6.585209      13.58113 
1 1 1 -22 17  10 o 53.558  5.3509  368.532    68.606   422.994    104.071  326.673    91.239   55.685  7.9262  48.804  7.9806  6.880238       11.24790 
1 1 1 -22 17  11 o 51.884  5.4699  347.271    67.824   348.661    104.747  346.268    89.001   49.615  9.0338  50.564  7.4799  -0.9489708     11.72851 
1 1 1 -22 17  12 o 39.261  6.5065  205.585    59.814   168.225    95.734   229.507    76.606   33.443  10.553  40.618  8.0574  -7.175087      13.27734 
1 1 1 -22 17  13 o 38.731  7.1910  204.343    65.091   303.230    111.002  152.521    80.356   44.976  10.382  32.221  9.5765  12.75570       14.12428 
1 1 1 -22 17  14 o 74.229  6.6622  730.056    118.715  0.0000     0.0000   730.056    118.715  ?       ?       74.229  6.6622  0.000000       6.662192 
1 1 1 -22 17  15 o 80.565  6.5487  858.483    126.910  0.0000     0.0000   858.483    126.910  ?       ?       80.565  6.5487  0.000000       6.548731 
1 1 1 -22 17  16 o 20.952  9.1804  10.398     89.201   70.622     109.304  -109.6863  154.346  25.883  10.698  21.860  10.432  4.023401       14.94237 
1 1 1 -22 17  17 o 34.317  8.6702  170.731    72.221   161.208    77.516   233.376    198.817  32.992  9.2890  36.152  14.622  -3.159760      17.32310 
1 1 1 -22 17  18 o 23.382  8.7455  68.584     66.838   56.024     71.254   160.583    192.850  22.522  8.8709  32.722  13.909  -10.19965      16.49685 
1 1 1 -22 17  19 o 19.308  8.0190  26.614     61.842   22.954     65.512   56.566     187.402  19.395  8.1679  28.517  12.848  -9.122219      15.22413 
1 1 1 -22 17  20 o 17.175  7.0744  20.305     47.580   86.472     60.754   -84.6451   76.516   24.939  8.4395  15.121  7.2506  9.817761       11.12636 
1 1 1 -22 17  21 o 31.956  8.2465  147.836    64.371   112.819    100.057  172.564    84.083   28.053  10.654  33.609  9.7437  -5.556349      14.43798 
1 1 1 -22 17  22 o 72.035  5.1969  671.838    90.224   668.678    128.000  674.959    127.197  69.313  7.7432  69.755  7.6401  -0.4421310     10.87786 
1 1 1 -22 17  23 o 49.826  5.9361  330.067    70.354   344.619    98.993   315.217    100.005  48.654  8.7051  45.957  9.2878  2.697052       12.72951 
1 1 1 -22 17  24 o 19.939  8.4634  26.510     71.228   -125.1496  181.857  53.991     77.413   22.593  10.919  22.396  9.1007  0.1970291      14.21412 
1 1 1 -22 17  25 o 44.751  8.9839  299.794    94.161   180.712    198.743  334.261    106.923  31.936  13.852  46.497  9.7869  -14.56131      16.96075 
1 1 1 -22 17  26 o 11.823  5.8528  -124.0575  62.559   -5.9389    179.478  -140.3927  66.744   24.953  11.708  11.958  5.9415  12.99519       13.12957 
1 1 1 -22 17  27 o 21.486  8.2210  59.190     59.850   135.766    86.389   -11.4866   82.994   28.940  10.055  18.514  8.4238  10.42685       13.11729 
1 1 1 -22 17  28 o 19.251  7.8964  36.343     58.970   144.257    85.816   -60.2019   81.170   29.492  10.030  16.131  7.6602  13.36033       12.62064 
1 1 1 -22 17  29 o 43.534  6.8532  268.883    69.998   263.401    100.604  274.027    97.454   39.343  10.386  40.735  9.9462  -1.391666      14.38039 
1 1 1 -22 17  30 o 72.458  5.2743  701.408    92.092   788.394    132.821  620.877    127.799  73.443  7.5614  63.848  8.4574  9.595131       11.34469 
1 1 1 -22 17  31 o 21.341  8.3512  62.111     62.791   31.680     93.590   87.022     84.677   20.879  9.2648  23.958  9.5943  -3.079130      13.33743 
1 1 1 -22 17  32 o 21.554  8.5395  64.860     66.390   -31.3300   95.555   154.626    92.308   18.075  8.5010  28.997  10.366  -10.92126      13.40599 
1 1 1 -22 17  33 o 16.805  7.8460  -24.9266   78.939   -71.5472   217.542  -17.8570   84.713   22.631  11.149  17.609  8.1901  5.021801       13.83417 
1 1 1 -22 17  34 o 24.577  8.9068  100.949    68.418   228.106    99.278   -14.0681   94.419   34.359  10.732  18.402  8.5880  15.95723       13.74519 
1 1 1 -22 17  35 o 26.936  10.430  139.637    97.152   181.453    111.190  4.6872     199.747  29.351  11.211  23.121  11.238  6.230494       15.87427 
1 1 1 -22 17  36 o 20.018  8.9617  31.246     89.598   -58.4109   101.876  337.389    188.253  17.312  8.3184  33.105  13.889  -15.79354      16.18935 
1 1 1 -22 17  37 o 25.658  9.1368  114.354    71.648   60.366     100.810  169.458    101.848  21.985  9.6925  28.936  10.801  -6.950281      14.51218 
1 1 1 -22 17  38 o 22.752  8.7284  82.282     67.578   -45.5615   98.561   195.704    92.836   17.509  8.3503  31.927  10.423  -14.41765      13.35509 
1 1 1 -22 17  39 o 16.700  7.5113  4.0248     63.744   9.0828     94.505   -0.1970    86.341   19.278  8.8534  18.329  8.4340  0.9493103      12.22765 
1 1 1 -22 17  40 o 16.412  7.8402  -49.4408   87.651   -191.8198  246.389  -28.8116   93.786   21.262  10.687  17.630  8.3311  3.631868       13.55090 
1 1 1 -22 17  41 o 16.810  7.9835  -35.9378   88.214   -319.7461  271.530  -2.4488    93.273   20.424  10.369  18.453  8.5863  1.971647       13.46257 
1 1 1 -22 17  42 f 17.426  8.1245  -7.2369    84.163   -155.8101  261.025  10.001     88.912   21.214  10.705  18.470  8.5206  2.743500       13.68203 
1 1 1 -22 18  1  o 90.849  6.8078  1085.47    148.978  1085.47    148.978  0.0000     0.0000   90.849  6.8078  ?       ?       0.000000       6.807786 
1 1 1 -22 18  2  o 80.542  7.0550  858.888    136.485  858.888    136.485  0.0000     0.0000   80.542  7.0550  ?       ?       0.000000       7.055016 
1 1 1 -22 18  3  o 86.179  6.7550  976.116    140.120  976.116    140.120  0.0000     0.0000   86.179  6.7550  ?       ?       0.000000       6.755044 
1 1 1 -22 18  4  o 38.692  8.2123  208.453    74.713   178.911    106.019  237.600    105.307  34.412  11.132  39.743  10.688  -5.330547      15.43204 
1 1 1 -22 18  5  o 92.526  4.5271  1075.73    101.637  1097.54    151.526  1057.89    137.037  91.211  6.8976  90.134  6.3057  1.076775       9.345508 
1 1 1 -22 18  6  o 42.501  6.3461  238.603    63.438   233.517    106.984  241.361    78.783   39.205  10.869  41.761  8.0670  -2.555664      13.53522 
1 1 1 -22 18  7  o 55.362  5.6376  396.243    74.674   468.668    119.431  349.756    95.684   57.913  8.7740  50.406  8.0975  7.507057       11.93954 
1 1 1 -22 18  8  o 75.863  4.8968  731.211    89.656   823.990    138.357  664.050    117.714  78.404  7.3589  70.695  6.9523  7.708557       10.12364 
1 1 1 -22 18  9  o 128.830 4.6788  2095.09    146.255  2262.90    211.098  1940.17    202.823  131.180 6.6539  121.045 6.9346  10.13512       9.610544 
1 1 1 -22 18  10 o 75.706  4.8318  728.465    88.295   768.096    132.881  697.133    118.148  75.575  7.3389  72.476  6.7979  3.098976       10.00356 
1 1 1 -22 18  11 o 43.367  6.1535  248.454    62.934   256.113    96.870   242.859    82.786   41.640  9.7580  41.402  8.5248  0.2383575      12.95728 
1 1 1 -22 18  12 o 24.756  8.1666  83.803     56.941   159.282    90.760   34.809     73.123   32.501  10.277  21.120  8.7414  11.38101       13.49199 
1 1 1 -22 18  13 o 43.672  7.9937  266.287    81.584   0.0000     0.0000   266.287    81.584   ?       ?       43.672  7.9937  0.000000       7.993694 
1 1 1 -22 18  14 o 70.334  6.5589  657.241    110.642  0.0000     0.0000   657.241    110.642  ?       ?       70.334  6.5589  0.000000       6.558856 
1 1 1 -22 18  15 o 43.715  13.448  337.155    156.553  0.0000     0.0000   337.155    156.553  ?       ?       43.715  13.448  0.000000       13.44776 
1 1 1 -22 18  16 o 22.536  9.0756  52.250     76.237   -20.5419   97.928   164.239    121.465  20.113  9.1511  32.230  11.839  -12.11746      14.96339 
1 1 1 -22 18  17 o 30.850  8.9664  140.286    71.122   137.229    77.465   156.697    179.469  30.326  9.4812  32.173  13.533  -1.846739      16.52337 
1 1 1 -22 18  18 o 17.420  7.2111  20.184     49.772   13.147     65.580   29.745     76.437   18.657  8.0248  20.849  8.8038  -2.191771      11.91236 
1 1 1 -22 18  19 o 15.074  6.9054  -26.0920   57.009   81.045     84.679   -114.9077  77.100   25.124  9.7349  14.171  6.9090  10.95251       11.93748 
1 1 1 -22 18  20 o 22.700  8.3783  66.320     60.942   48.226     96.892   78.163     78.389   23.435  9.9046  24.561  9.4059  -1.126518      13.65917 
1 1 1 -22 18  21 o 58.762  6.0065  458.506    84.438   610.005    121.677  317.780    117.272  66.073  7.7361  44.503  10.938  21.57062       13.39722 
1 1 1 -22 18  22 o 37.208  7.6132  196.710    66.417   144.581    98.015   240.969    90.313   30.210  10.694  39.730  9.4974  -9.519522      14.30264 
1 1 1 -22 18  23 o 44.145  9.0624  292.072    93.819   -22.3193   222.562  360.010    103.461  26.593  12.645  49.202  8.9978  -22.60855      15.51932 
1 1 1 -22 18  24 o 27.795  9.7355  119.092    81.065   -13.3748   196.626  146.219    88.979   25.579  12.080  30.168  10.213  -4.588932      15.81884 
1 1 1 -22 18  25 o 19.712  8.5046  23.100     74.116   19.683     180.345  23.794     81.298   25.560  11.909  20.341  8.8413  5.219059       14.83204 
1 1 1 -22 18  26 o 54.297  5.6383  394.922    73.200   551.716    103.273  236.613    103.770  62.870  6.8823  37.074  10.847  25.79605       12.84575 
1 1 1 -22 18  27 o 15.851  6.9961  1.2990     52.672   28.036     76.345   -22.9875   72.762   19.950  8.6194  16.769  7.7260  3.180937       11.57519 
1 1 1 -22 18  28 o 35.810  7.7958  191.867    65.815   247.904    91.673   132.265    94.545   38.749  9.7564  27.844  10.404  10.90504       14.26288 
1 1 1 -22 18  29 o 17.571  7.5587  19.166     58.198   8.7725     84.657   28.479     80.139   19.205  8.6454  19.959  8.7245  -0.7532578     12.28251 
1 1 1 -22 18  30 o 9.4891  4.7421  -108.1884  45.187   -282.4792  72.470   2.6743     57.798   ?       ?       16.295  7.2532  0.000000       7.253156 
1 1 1 -22 18  31 o 11.263  5.5882  -113.5207  58.235   -165.3692  84.845   -67.3389   80.075   13.182  6.5736  15.341  7.3723  -2.158875      9.877373 
1 1 1 -22 18  32 o 19.777  8.7620  30.052     83.382   92.966     218.710  19.352     90.194   25.526  12.245  19.635  8.8733  5.890316       15.12175 
1 1 1 -22 18  33 o 15.061  6.9711  -19.2937   60.262   -82.7023   84.623   45.947     85.837   15.137  7.3475  20.670  9.0325  -5.533457      11.64359 
1 1 1 -22 18  34 o 25.533  10.011  120.061    90.367   97.385     101.197  209.317    200.772  23.962  10.125  27.857  12.834  -3.895023      16.34677 
1 1 1 -22 18  35 o 23.718  9.7560  95.295     90.332   153.558    99.523   -177.1617  215.217  27.682  10.599  20.523  10.270  7.158953       14.75844 
1 1 1 -22 18  36 o 27.068  8.7772  125.817    65.883   95.485     93.743   155.422    92.611   23.758  9.8705  28.194  10.340  -4.435953      14.29515 
1 1 1 -22 18  37 o 40.454  7.7801  254.780    73.594   308.248    103.879  200.902    104.278  40.797  10.448  31.162  11.031  9.635469       15.19333 
1 1 1 -22 18  38 o 17.041  7.6049  10.060     63.980   -11.6412   89.401   32.842     91.601   18.000  8.3859  20.149  9.0378  -2.148518      12.32904 
1 1 1 -22 18  39 f 27.012  10.744  149.394    105.484  358.924    284.881  116.102    113.555  29.317  14.040  24.858  10.622  4.458473       17.60515 
1 1 1 -22 18  40 o 20.663  9.1550  49.083     91.047   90.646     258.144  43.178     97.300   24.540  12.101  20.607  9.2732  3.933025       15.24532 
1 1 1 -22 18  41 o 21.403  9.5169  64.730     99.238   114.236    285.199  57.910     105.853  24.308  12.111  21.250  9.6069  3.058424       15.45836 
1 1 1 -22 19  1  o 46.727  9.8504  319.228    108.161  319.228    108.161  0.0000     0.0000   46.727  9.8504  ?       ?       0.000000       9.850357 
1 1 1 -22 19  2  o 49.018  9.1922  343.064    105.313  343.064    105.313  0.0000     0.0000   49.018  9.1922  ?       ?       0.000000       9.192222 
1 1 1 -22 19  3  o 38.467  7.9046  205.485    71.313   181.370    97.629   233.068    104.415  34.611  10.615  39.130  10.693  -4.519272      15.06715 
1 1 1 -22 19  4  o 27.580  7.7271  105.868    53.778   139.248    99.844   92.227     63.828   30.817  10.804  25.928  8.6509  4.888769       13.84054 
1 1 1 -22 19  5  o 42.488  6.2853  239.006    62.841   203.204    106.209  258.291    77.950   36.258  11.063  43.351  7.6924  -7.092815      13.47451 
1 1 1 -22 19  6  o 105.597 4.6045  1407.11    117.978  1547.39    172.827  1284.69    161.445  108.399 6.6023  98.513  6.7957  9.886002       9.474794 
1 1 1 -22 19  7  o 83.864  4.7486  892.625    96.232   938.533    144.544  856.076    128.969  83.686  7.1882  80.434  6.6683  3.251480       9.804899 
1 1 1 -22 19  8  o 52.814  5.7513  363.524    72.509   372.865    119.304  358.052    91.308   50.108  10.160  51.169  7.5839  -1.060665      12.67849 
1 1 1 -22 19  9  f 23.497  8.1370  73.038     56.553   103.371    103.783  60.227     67.445   27.888  10.785  22.756  8.7223  5.132256       13.87087 
1 1 1 -22 19  10 o 72.348  5.0412  670.252    87.943   657.515    134.959  679.651    115.937  68.756  8.2546  71.383  6.7748  -2.627159      10.67879 
1 1 1 -22 19  11 o 95.042  4.6711  1145.02    107.720  1287.39    157.390  1019.57    147.746  98.503  6.6236  87.133  7.0486  11.36973       9.672426 
1 1 1 -22 19  12 o 37.221  8.7822  201.164    78.034   0.0000     0.0000   201.164    78.034   ?       ?       37.221  8.7822  0.000000       8.782200 
1 1 1 -22 19  13 o 65.624  6.8813  579.435    107.941  0.0000     0.0000   579.435    107.941  ?       ?       65.624  6.8813  0.000000       6.881312 
1 1 1 -22 19  14 o 36.337  13.081  230.189    147.240  0.0000     0.0000   230.189    147.240  ?       ?       36.337  13.081  0.000000       13.08112 
1 1 1 -22 19  15 o 22.643  9.2023  51.926     79.165   85.972     100.669  -3.2490    128.155  26.211  10.474  23.173  10.514  3.038328       14.84087 
1 1 1 -22 19  16 o 11.213  5.4156  -62.7977   44.571   -55.3135   48.632   -102.0812  111.418  12.257  5.8510  18.319  8.7749  -6.061861      10.54669 
1 1 1 -22 19  17 o 21.639  7.4123  62.053     46.871   58.218     64.762   66.271     67.921   22.157  8.5335  23.074  8.7746  -0.9162159     12.23991 
1 1 1 -22 19  18 o 21.279  8.3161  50.844     62.203   102.699    94.977   11.895     82.313   27.051  10.355  20.149  8.8239  6.901718       13.60452 
1 1 1 -22 19  19 o 22.985  8.4488  69.311     61.876   79.809     97.348   62.195     80.151   25.391  10.245  23.288  9.3314  2.102842       13.85761 
1 1 1 -22 19  20 o 57.454  6.0346  439.939    82.870   443.137    119.321  436.959    115.179  54.492  9.3618  54.446  9.0353  0.4615402E-01  13.01079 
1 1 1 -22 19  21 o 40.115  7.3948  226.874    69.326   231.974    102.509  222.575    94.112   37.678  10.708  37.445  10.118  0.2329369      14.73221 
1 1 1 -22 19  22 o 59.257  7.9243  501.564    111.083  352.073    240.230  542.221    125.281  37.923  15.782  60.666  8.7651  -22.74246      18.05289 
1 1 1 -22 19  23 o 65.406  7.5866  606.551    118.164  482.010    240.427  646.214    135.682  42.966  16.468  66.152  8.6611  -23.18569      18.60698 
1 1 1 -22 19  24 o 18.733  8.4257  -1.8916    80.214   145.035    207.189  -27.7971   86.998   29.786  13.456  18.137  8.3883  11.64918       15.85613 
1 1 1 -22 19  25 o 43.519  6.8329  266.625    69.775   253.695    99.531   279.119    97.843   38.905  10.359  41.520  9.8589  -2.615612      14.30087 
1 1 1 -22 19  26 o 22.895  8.2339  76.095     58.323   -8.7291    87.573   143.707    78.185   18.799  8.5922  29.530  9.5602  -10.73034      12.85395 
1 1 1 -22 19  27 o 14.741  6.7434  -17.1370   54.092   -128.3802  75.689   98.988     77.332   13.204  6.5185  25.086  9.4022  -11.88171      11.44081 
1 1 1 -22 19  28 o 16.163  7.2025  1.0091     57.163   -83.4313   76.736   106.291    85.684   14.578  7.0571  25.471  9.8140  -10.89379      12.08790 
1 1 1 -22 19  29 o 16.492  7.2864  7.1635     57.274   -45.7682   82.959   55.370     79.169   16.461  7.7954  21.361  8.9865  -4.900265      11.89647 
1 1 1 -22 19  30 o 12.184  5.9257  -73.3212   55.761   18.515     80.980   -156.1250  76.894   19.074  8.5308  12.494  6.2350  6.579830       10.56648 
1 1 1 -22 19  31 o 24.807  9.6377  106.663    83.167   -50.9958   223.591  131.979    89.595   22.821  11.255  26.688  10.095  -3.866476      15.11870 
1 1 1 -22 19  32 o 15.829  7.1934  -4.5527    60.282   -48.8898   84.401   41.618     86.129   16.180  7.7194  20.354  8.9668  -4.174137      11.83186 
1 1 1 -22 19  33 o 21.630  9.3424  63.197     89.637   11.328     98.637   309.149    214.790  19.474  8.9803  30.253  13.680  -10.77901      16.36453 
1 1 1 -22 19  34 o 27.479  10.652  153.981    101.409  132.686    113.648  237.178    224.641  25.761  10.799  27.876  13.086  -2.115303      16.96617 
1 1 1 -22 19  35 o 19.199  8.1453  41.448     65.926   8.4667     96.038   70.839     90.662   19.177  8.8498  22.073  9.4629  -2.895372      12.95625 
1 1 1 -22 19  36 o 29.161  8.9474  147.966    69.355   131.253    102.479  162.089    94.208   25.947  10.497  28.563  10.436  -2.616266      14.80188 
1 1 1 -22 19  37 o 23.970  8.7114  96.816     65.515   21.090     92.795   172.078    92.510   19.570  8.9057  29.500  10.395  -9.929289      13.68841 
1 1 1 -22 19  38 o 21.628  9.3318  65.430     89.249   -290.3300  250.739  117.042    95.504   20.180  10.215  24.943  10.118  -4.762436      14.37817 
1 1 1 -22 19  39 o 22.285  9.7972  75.949     102.339  336.315    280.763  36.057     109.899  28.105  13.579  20.697  9.5204  7.408493       16.58378 
1 1 1 -22 19  40 o 19.089  8.6833  26.820     88.104   -116.3205  258.305  45.665     93.725   21.361  10.763  20.230  9.1026  1.130676       14.09629 
1 1 1 -22 20  1  o 37.042  11.088  214.627    107.439  214.627    107.439  0.0000     0.0000   37.042  11.088  ?       ?       0.000000       11.08791 
1 1 1 -22 20  2  o 29.997  8.9836  130.264    70.514   173.582    97.812   83.388     101.749  33.664  10.672  26.429  10.540  7.234957       14.99905 
1 1 1 -22 20  3  o 35.964  7.4341  178.763    62.728   200.132    99.391   164.617    80.867   36.053  10.634  33.342  9.5228  2.710941       14.27496 
1 1 1 -22 20  4  o 43.602  5.8179  249.499    60.015   237.202    101.041  256.203    74.601   39.429  10.408  43.258  7.3717  -3.828571      12.75451 
1 1 1 -22 20  5  o 43.197  6.3639  248.570    64.704   399.385    110.041  168.871    79.994   52.941  8.8809  33.785  9.4097  19.15651       12.93880 
1 1 1 -22 20  6  o 29.304  8.2304  122.498    60.934   298.692    105.235  33.630     74.737   44.734  9.9520  21.126  8.7983  23.60789       13.28354 
1 1 1 -22 20  7  o 27.638  8.3101  108.705    60.250   149.651    103.913  87.968     73.950   31.331  11.020  25.557  9.2602  5.773460       14.39396 
1 1 1 -22 20  8  o 21.149  8.1335  50.169     58.770   124.417    104.719  16.032     71.006   29.297  10.949  19.509  8.3694  9.788134       13.78135 
1 1 1 -22 20  9  o 23.844  8.4293  75.756     60.874   151.801    107.263  39.627     73.935   31.384  11.179  21.424  8.8210  9.959553       14.24008 
1 1 1 -22 20  10 f 40.531  6.7629  222.921    64.166   167.999    111.741  249.941    78.377   32.566  11.429  42.157  7.9538  -9.591438      13.92403 
1 1 1 -22 20  11 o 46.730  7.1817  299.057    78.825   386.018    146.794  263.823    93.439   47.938  12.493  42.195  9.3704  5.743519       15.61692 
1 1 1 -22 20  12 o 49.123  14.235  445.575    179.497  0.0000     0.0000   445.575    179.497  ?       ?       49.123  14.235  0.000000       14.23496 
1 1 1 -22 20  13 o 55.413  13.669  541.965    182.644  0.0000     0.0000   541.965    182.644  ?       ?       55.413  13.669  0.000000       13.66895 
1 1 1 -22 20  14 f 18.711  8.2932  -0.8401    74.778   89.208     90.168   -199.1818  133.821  25.947  10.048  17.886  8.7985  8.061247       13.35562 
1 1 1 -22 20  15 o 22.630  8.4490  64.877     62.330   45.234     70.960   131.219    130.407  21.451  8.7146  29.732  11.906  -8.281443      14.75492 
1 1 1 -22 20  16 o 53.935  4.8852  375.315    63.238   330.162    86.766   426.480    92.362   48.600  7.6072  55.894  6.9610  -7.293777      10.31146 
1 1 1 -22 20  17 o 16.305  7.1165  2.2929     53.143   25.099     76.629   -18.8400   73.765   20.389  8.7192  17.523  7.9610  2.865452       11.80689 
1 1 1 -22 20  18 o 81.489  5.0795  859.938    99.936   872.042    136.794  846.083    146.350  79.662  7.1533  77.503  7.8925  2.159767       10.65180 
1 1 1 -22 20  19 o 37.012  7.9993  198.392    69.744   311.522    105.868  111.649    92.703   44.715  10.008  27.380  10.288  17.33445       14.35249 
1 1 1 -22 20  20 o 19.926  8.0599  39.587     60.411   96.652     88.129   -10.9946   82.972   25.983  9.9678  18.731  8.4836  7.251865       13.08921 
1 1 1 -22 20  21 o 15.570  7.3563  -55.2452   73.070   -27.6772   193.918  -59.8072   78.885   24.993  11.860  16.067  7.6069  8.925968       14.09000 
1 1 1 -22 20  22 o 35.219  9.8468  200.396    87.424   106.092    205.282  221.289    96.624   28.676  13.124  36.496  10.404  -7.820328      16.74818 
1 1 1 -22 20  23 o 35.395  10.358  210.950    94.623   42.829     222.299  248.150    104.569  26.973  12.770  37.986  10.822  -11.01269      16.73878 
1 1 1 -22 20  24 o 32.080  8.3134  157.827    65.239   132.059    97.899   178.411    87.498   28.014  10.563  32.512  10.062  -4.498283      14.58850 
1 1 1 -22 20  25 f 14.777  6.7808  -19.7205   55.282   -27.4316   84.595   -13.9732   73.033   17.628  8.1942  17.133  7.8366  0.4955559      11.33826 
1 1 1 -22 20  26 o 17.954  7.4351  30.048     52.942   -58.8972   77.638   107.358    72.382   15.570  7.4215  25.778  9.1831  -10.20804      11.80713 
1 1 1 -22 20  27 o 22.341  8.2763  74.111     59.577   79.814     83.090   68.077     85.471   23.298  9.4423  22.547  9.4010  0.7505836      13.32429 
1 1 1 -22 20  28 o 15.398  6.9471  -5.1235    55.021   18.379     83.669   -23.0313   73.035   19.322  8.6542  16.388  7.6162  2.934038       11.52833 
1 1 1 -22 20  29 o 12.294  5.9694  -70.3127   55.947   -90.8166   72.122   -39.3304   88.655   13.631  6.6539  17.028  8.0627  -3.397171      10.45375 
1 1 1 -22 20  30 o 19.486  8.6469  29.716     81.523   -219.5999  231.968  64.848     87.077   20.666  10.385  21.791  9.3062  -1.124977      13.94497 
1 1 1 -22 20  31 o 20.151  8.2694  54.416     64.710   -47.1793   88.359   171.940    95.033   16.522  7.8868  29.305  10.513  -12.78352      13.14288 
1 1 1 -22 20  32 o 21.160  9.3140  54.880     92.742   70.423     102.929  -12.1853   213.802  22.265  9.8059  22.651  11.139  -0.3863010     14.84011 
1 1 1 -22 20  33 o 31.783  10.744  207.180    98.461   262.759    110.473  -7.5018    217.121  35.131  11.363  22.725  11.185  12.40568       15.94411 
1 1 1 -22 20  34 o 18.737  7.9291  38.927     62.217   162.328    89.455   -76.6996   86.591   28.686  10.210  15.344  7.4447  13.34179       12.63586 
1 1 1 -22 20  35 o 15.465  7.1756  -17.7674   64.419   -93.2190   93.216   51.209     89.127   15.475  7.5560  20.836  9.1520  -5.361894      11.86815 
1 1 1 -22 20  36 o 29.390  8.9601  151.561    69.690   166.799    102.467  138.447    95.062   28.254  10.770  26.491  10.301  1.762192       14.90264 
1 1 1 -22 20  37 o 16.712  7.9162  -32.2088   85.633   131.627    243.626  -55.3039   91.470   25.174  12.275  16.381  7.8741  8.792374       14.58354 
1 1 1 -22 20  38 o 17.088  8.0797  -24.7231   88.457   568.079    250.686  -109.0287  94.537   34.728  15.299  15.022  7.3907  19.70659       16.99034 
1 1 1 -22 20  39 o 18.527  8.6314  7.7145     94.708   36.210     273.553  3.8337     100.951  23.027  11.531  18.704  8.7777  4.322592       14.49174 
1 1 1 -22 21  1  o 56.006  8.7801  447.185    115.394  447.185    115.394  0.0000     0.0000   56.006  8.7801  ?       ?       0.000000       8.780077 
1 1 1 -22 21  2  o 62.665  5.8013  513.392    87.209   633.204    120.393  381.124    126.496  68.174  7.3968  49.744  10.791  18.42976       13.08249 
1 1 1 -22 21  3  o 13.925  6.3242  -19.3843   46.497   34.376     86.668   -41.1118   55.098   22.086  9.3529  14.031  6.5525  8.054524       11.41976 
1 1 1 -22 21  4  o 28.667  7.7420  116.312    55.116   175.809    101.863  91.682     65.539   33.463  10.917  25.650  8.7651  7.813412       14.00051 
1 1 1 -22 21  5  o 26.657  7.8501  100.439    54.198   142.164    95.545   80.644     65.810   30.587  10.577  24.495  8.7530  6.091928       13.72943 
1 1 1 -22 21  6  o 19.901  7.6337  43.649     51.686   -0.6993    95.769   61.875     61.394   20.830  9.2993  22.404  8.3813  -1.574629      12.51895 
1 1 1 -22 21  7  o 55.115  5.7317  398.252    75.530   486.280    120.471  341.242    96.950   58.242  8.7992  48.930  8.4728  9.311241       12.21531 
1 1 1 -22 21  8  o 61.399  5.3603  489.388    79.056   545.016    123.157  450.403    103.101  62.057  8.3945  57.046  7.6406  5.011730       11.35104 
1 1 1 -22 21  9  o 28.620  8.1658  118.073    59.493   122.302    107.221  116.192    71.512   28.904  11.017  28.142  9.1457  0.7615051      14.31830 
1 1 1 -22 21  10 o 56.431  5.7193  418.261    77.230   551.412    125.236  336.553    98.105   62.186  8.5242  48.277  8.6947  13.90868       12.17626 
1 1 1 -22 21  11 o 83.539  13.390  1194.27    262.240  0.0000     0.0000   1194.27    262.240  ?       ?       83.539  13.390  0.000000       13.38967 
1 1 1 -22 21  12 o 74.309  14.095  980.407    244.847  0.0000     0.0000   980.407    244.847  ?       ?       74.309  14.095  0.000000       14.09544 
1 1 1 -22 21  13 o 46.579  14.396  418.324    179.170  0.0000     0.0000   418.324    179.170  ?       ?       46.579  14.396  0.000000       14.39592 
1 1 1 -22 21  14 o 58.072  5.6369  443.506    78.426   384.671    132.637  475.134    97.247   48.539  11.448  59.007  6.9238  -10.46786      13.37874 
1 1 1 -22 21  15 o 38.410  7.1228  205.461    63.939   174.249    87.287   241.599    93.924   33.310  9.9995  39.514  9.8351  -6.204136      14.02566 
1 1 1 -22 21  16 o 68.797  5.1710  615.545    85.689   548.794    116.819  693.289    126.073  62.271  7.9100  70.563  7.4774  -8.291668      10.88484 
1 1 1 -22 21  17 o 63.097  5.3625  521.769    81.321   466.850    111.548  584.067    118.806  56.852  8.3337  64.291  7.7739  -7.438667      11.39668 
1 1 1 -22 21  18 o 22.374  8.0399  67.721     55.597   53.480     77.161   83.099     80.179   22.197  9.0603  24.660  9.4958  -2.463455      13.12472 
1 1 1 -22 21  19 o 13.469  6.4751  -71.3906   61.906   -100.9206  145.150  -64.8248   68.443   20.562  9.8921  14.606  6.9638  5.955376       12.09742 
1 1 1 -22 21  20 o 17.866  7.9790  -1.2565    70.564   7.3877     180.346  -2.8191    76.678   25.151  11.781  18.390  8.2576  6.760838       14.38641 
1 1 1 -22 21  21 o 33.267  10.015  182.846    87.471   176.359    214.479  184.140    95.801   30.610  13.772  32.846  10.577  -2.235313      17.36495 
1 1 1 -22 21  22 o 22.452  8.3828  70.282     61.356   5.9836     92.320   121.153    82.116   19.965  9.0041  27.376  9.7780  -7.410391      13.29218 
1 1 1 -22 21  23 o 16.707  7.3769  4.6032     58.618   -15.6988   96.141   16.616     73.953   19.149  8.8429  18.943  8.3281  0.2060146      12.14715 
1 1 1 -22 21  24 o 11.460  5.5965  -77.8874   51.173   -65.8701   83.162   -85.2104   64.919   15.924  7.6152  13.144  6.3931  2.779369       9.943019 
1 1 1 -22 21  25 o 18.175  7.7702  25.164     60.823   -17.9785   98.544   51.712     77.304   18.950  8.8205  21.157  8.8893  -2.206388      12.52279 
1 1 1 -22 21  26 o 22.540  8.1407  77.127     57.084   94.978     82.000   60.342     79.515   24.294  9.5331  21.680  9.0559  2.614799       13.14873 
1 1 1 -22 21  27 o 17.481  7.4588  24.392     55.845   -74.2946   85.941   96.516     73.470   15.628  7.5411  24.220  9.1463  -8.592355      11.85430 
1 1 1 -22 21  28 o 11.869  5.7834  -72.9453   53.819   -42.1477   71.948   -112.0712  81.094   15.291  7.2469  13.950  6.8601  1.340893       9.978886 
1 1 1 -22 21  29 o 17.765  8.1353  1.3809     79.033   -146.4129  211.021  25.494     85.237   20.746  10.349  19.379  8.7035  1.366961       13.52227 
1 1 1 -22 21  30 o 20.875  8.2519  65.036     61.863   56.141     83.183   76.044     92.537   20.877  9.0085  22.327  9.5658  -1.450201      13.13990 
1 1 1 -22 21  31 o 27.793  10.098  152.187    88.019   136.193    97.462   222.930    204.972  26.094  10.344  27.398  12.742  -1.304300      16.41213 
1 1 1 -22 21  32 o 13.167  6.5218  -123.9899  78.067   -176.5909  84.527   181.215    203.608  12.671  6.3545  26.227  12.357  -13.55610      13.89546 
1 1 1 -22 21  33 o 19.609  8.2402  48.663     66.442   74.364     90.350   18.397     98.048   22.055  9.4506  19.525  8.9854  2.529882       13.04042 
1 1 1 -22 21  34 o 19.797  8.2323  51.411     65.287   91.891     90.178   6.8219     94.645   23.194  9.6625  18.890  8.7412  4.303938       13.02966 
1 1 1 -22 21  35 o 14.332  6.7948  -38.6973   63.362   33.136     93.096   -100.6901  86.485   19.966  9.0197  14.613  7.1653  5.353164       11.51940 
1 1 1 -22 21  36 o 17.994  8.4108  -7.4790    91.121   88.064     240.420  -23.5057   98.468   24.215  11.888  17.880  8.4749  6.335022       14.59971 
1 1 1 -22 21  37 o 14.517  7.1020  -89.4477   83.525   -44.0648   237.191  -95.8720   89.241   21.952  10.954  14.853  7.2821  7.099036       13.15379 
1 1 1 -22 21  38 o 26.456  10.550  157.351    101.949  107.682    264.619  166.009    110.478  23.621  11.752  26.583  10.845  -2.962072      15.99101 
1 1 1 -22 22  1  o 57.081  6.2824  433.674    85.572   376.179    118.097  497.229    124.165  49.829  10.113  58.611  9.0200  -8.782669      13.55133 
1 1 1 -22 22  2  f 45.199  6.2257  272.867    66.467   290.506    107.945  262.095    84.355   43.322  10.401  42.733  8.4349  0.5883560      13.39109 
1 1 1 -22 22  3  o 37.320  6.6008  189.362    57.585   197.234    100.471  185.511    70.274   35.218  10.763  35.901  8.2414  -0.6834221     13.55587 
1 1 1 -22 22  4  o 18.427  7.3193  32.108     48.889   -8.7257    91.766   48.292     57.770   19.987  8.9989  20.778  8.0436  -0.7904663     12.06975 
1 1 1 -22 22  5  o 16.964  7.1032  16.293     49.088   26.318     91.123   12.195     58.265   21.781  9.4137  17.737  7.5946  4.044424       12.09526 
1 1 1 -22 22  6  o 19.207  7.3973  40.123     48.663   19.868     95.118   47.304     56.637   21.713  9.4978  20.574  7.9644  1.139582       12.39515 
1 1 1 -22 22  7  o 55.259  5.5999  400.489    74.047   639.526    121.866  260.587    93.231   68.042  7.5064  41.663  9.4409  26.37904       12.06141 
1 1 1 -22 22  8  f 59.563  5.6525  465.765    80.715   638.414    127.402  350.006    104.322  67.477  7.9328  48.719  9.1611  18.75801       12.11839 
1 1 1 -22 22  9  o 37.525  11.215  231.494    109.972  274.236    141.811  167.012    174.181  39.077  12.888  32.013  13.390  7.063538       18.58489 
1 1 1 -22 22  10 o 60.432  14.935  694.711    217.739  0.0000     0.0000   694.711    217.739  ?       ?       60.432  14.935  0.000000       14.93509 
1 1 1 -22 22  11 o 33.455  13.566  200.239    171.600  0.0000     0.0000   200.239    171.600  ?       ?       33.455  13.566  0.000000       13.56580 
1 1 1 -22 22  12 o 23.625  11.106  -42.7546   162.782  0.0000     0.0000   -42.7546   162.782  ?       ?       23.625  11.106  0.000000       11.10605 
1 1 1 -22 22  13 o 50.142  6.3518  339.425    75.546   422.596    120.398  285.415    97.023   52.687  9.7779  43.331  9.4908  9.356228       13.62650 
1 1 1 -22 22  14 o 56.828  5.6593  427.000    76.998   346.990    106.012  516.333    112.019  47.855  9.4652  60.403  7.8271  -12.54813      12.28223 
1 1 1 -22 22  15 o 77.819  4.9195  783.868    92.412   760.376    123.908  813.314    138.723  74.391  6.9449  76.072  7.6179  -1.681297      10.30842 
1 1 1 -22 22  16 o 54.504  5.6916  394.974    74.160   314.521    100.397  491.588    110.020  45.306  9.4390  58.594  7.9432  -13.28779      12.33651 
1 1 1 -22 22  17 o 41.713  6.9135  242.970    67.523   187.463    91.805   308.386    99.664   33.802  10.279  44.660  9.4898  -10.85829      13.98995 
1 1 1 -22 22  18 o 29.991  9.5829  143.445    78.753   -117.6607  166.432  218.772    89.393   21.349  10.350  36.909  9.8127  -15.55997      14.26196 
1 1 1 -22 22  19 o 15.134  7.1137  -44.8360   66.749   202.134    153.592  -102.3402  74.113   32.077  12.895  13.912  6.7808  18.16488       14.56883 
1 1 1 -22 22  20 o 44.024  9.0527  300.783    93.472   460.121    188.598  248.901    107.619  44.684  14.869  37.537  11.064  7.147007       18.53342 
1 1 1 -22 22  21 o 41.285  7.8813  253.386    76.071   265.891    119.800  244.938    98.472   37.457  11.804  37.788  10.408  -0.3307800     15.73704 
1 1 1 -22 22  22 o 15.526  7.1587  -22.2453   62.649   -8.1413    95.759   -32.7998   82.837   19.325  8.8884  17.180  8.0268  2.144066       11.97634 
1 1 1 -22 22  23 o 19.408  7.9581  41.478     59.871   12.279     91.798   63.091     78.980   19.818  8.9544  22.068  9.1052  -2.249655      12.77048 
1 1 1 -22 22  24 o 12.678  6.0709  -53.3009   53.244   -76.5852   84.946   -38.2338   68.333   15.581  7.5133  15.263  7.1815  0.3181782      10.39347 
1 1 1 -22 22  25 o 26.790  8.7907  119.594    66.009   70.470     99.463   158.259    88.242   22.841  9.8533  29.309  10.163  -6.468447      14.15569 
1 1 1 -22 22  26 o 25.799  8.7003  111.571    64.565   45.287     97.179   163.951    86.387   21.208  9.4243  29.665  10.063  -8.457819      13.78736 
1 1 1 -22 22  27 o 14.009  6.6008  -34.4159   58.111   -62.6917   82.125   -6.0635    82.237   15.476  7.4443  17.694  8.1737  -2.217965      11.05565 
1 1 1 -22 22  28 o 14.381  6.9874  -78.4212   77.019   -521.6033  217.725  -15.0317   82.343   ?       ?       17.194  8.0228  0.000000       8.022820 
1 1 1 -22 22  29 f 18.583  7.8469  38.979     60.722   -12.9979   82.114   101.700    90.202   17.180  8.0148  23.790  9.7631  -6.610319      12.63148 
1 1 1 -22 22  30 o 12.334  6.1237  -122.9560  70.412   -138.1991  75.315   -17.1823   198.396  12.508  6.2303  21.881  10.754  -9.372736      12.42815 
1 1 1 -22 22  31 o 19.672  8.7003  40.058     81.866   57.695     88.428   -65.7114   216.552  20.914  9.1527  21.484  10.679  -0.5698814     14.06471 
1 1 1 -22 22  32 o 32.275  8.8775  182.333    71.695   272.581    99.903   86.497     102.949  37.150  10.575  22.795  9.9284  14.35518       14.50562 
1 1 1 -22 22  33 o 25.652  8.9363  117.607    68.258   141.589    93.510   90.254     99.865   26.491  10.240  23.020  9.9020  3.470978       14.24430 
1 1 1 -22 22  34 o 19.787  8.2538  52.201     65.923   -138.7083  95.485   226.077    91.126   14.446  7.1656  34.101  10.212  -19.65432      12.47555 
1 1 1 -22 22  35 o 15.287  7.4396  -78.3653   88.253   238.155    234.670  -130.5050  95.245   26.687  12.771  14.559  7.2100  12.12830       14.66533 
1 1 1 -22 22  36 o 27.976  10.899  179.263    106.592  131.167    261.592  188.839    116.722  24.267  12.005  27.967  11.241  -3.700308      16.44690 
1 1 1 -22 22  37 o 29.845  11.248  218.413    110.967  456.445    268.422  169.347    121.869  28.773  13.738  26.041  11.062  2.732866       17.63854 
1 1 1 -22 23  1  o 47.351  7.1534  308.946    79.625   324.683    109.256  291.118    116.287  45.992  10.069  42.351  11.160  3.640800       15.03104 
1 1 1 -22 23  2  o 33.704  7.5799  161.161    60.486   119.770    101.908  183.674    75.156   28.434  10.764  35.189  8.8195  -6.755020      13.91549 
1 1 1 -22 23  3  o 24.961  8.6046  87.732     63.204   155.152    99.565   42.225     81.799   31.262  10.798  21.977  9.1831  9.284456       14.17512 
1 1 1 -22 23  4  o 11.867  5.6495  -48.7002   44.706   -73.1448   87.384   -40.0340   52.030   16.723  7.9434  13.526  6.3330  3.197363       10.15891 
1 1 1 -22 23  5  o 42.998  6.0946  247.737    61.806   250.211    104.993  246.425    76.457   39.500  10.693  41.651  7.8534  -2.151020      13.26703 
1 1 1 -22 23  6  o 58.994  5.2370  453.089    74.186   568.303    115.543  372.280    96.765   63.845  7.6084  51.173  8.0598  12.67139       11.08366 
1 1 1 -22 23  7  o 47.386  9.3056  335.615    103.175  325.145    135.261  350.184    159.553  43.290  12.299  43.132  13.625  0.1575546      18.35524 
1 1 1 -22 23  8  o 33.642  11.047  186.329    104.236  84.817     134.911  336.680    164.188  27.031  11.565  41.745  13.872  -14.71335      18.06056 
1 1 1 -22 23  9  o 36.514  14.117  264.750    177.756  0.0000     0.0000   264.750    177.756  ?       ?       36.514  14.117  0.000000       14.11677 
1 1 1 -22 23  10 f 46.648  15.180  456.609    196.992  0.0000     0.0000   456.609    196.992  ?       ?       46.648  15.180  0.000000       15.18026 
1 1 1 -22 23  11 o 72.597  6.9832  723.694    121.492  0.0000     0.0000   723.694    121.492  ?       ?       72.597  6.9832  0.000000       6.983173 
1 1 1 -22 23  12 o 24.837  8.6091  88.608     63.312   208.004    107.046  24.373     78.516   35.083  11.169  20.338  8.7641  14.74530       14.19669 
1 1 1 -22 23  13 o 67.903  5.1141  601.260    83.641   550.677    116.419  655.223    120.246  62.118  7.9030  68.464  7.3537  -6.346249      10.79508 
1 1 1 -22 23  14 o 78.467  4.9916  800.732    94.542   815.953    127.222  781.959    141.288  76.948  6.8867  73.805  8.0186  3.143089       10.56998 
1 1 1 -22 23  15 o 67.850  5.3715  606.951    87.710   517.006    117.530  720.010    131.768  59.383  8.3905  70.981  7.7781  -11.59792      11.44115 
1 1 1 -22 23  16 o 29.498  8.2363  131.138    61.208   48.808     86.368   214.209    86.756   22.180  9.3615  36.640  9.6315  -14.45987      13.43149 
1 1 1 -22 23  17 o 21.460  8.7104  52.949     70.820   -181.5143  156.846  112.991    79.371   19.297  9.4990  26.837  9.6103  -7.540689      13.51250 
1 1 1 -22 23  18 o 13.029  6.3605  -95.9726   65.956   -211.8384  145.173  -65.8353   74.039   17.833  8.8439  15.093  7.2089  2.740448       11.40976 
1 1 1 -22 23  19 o 47.319  8.7164  343.904    96.389   227.293    191.825  383.293    111.486  31.684  13.676  48.711  9.7725  -17.02692      16.80872 
1 1 1 -22 23  20 o 33.387  8.0607  170.606    64.559   92.556     89.006   257.254    93.781   24.677  9.8525  39.239  9.8615  -14.56215      13.93989 
1 1 1 -22 23  21 o 61.300  5.7703  514.123    84.817   492.986    118.930  536.001    120.995  55.715  9.1126  58.590  8.7816  -2.874908      12.65531 
1 1 1 -22 23  22 o 23.979  8.6570  90.530     64.545   41.167     98.092   128.224    85.717   21.466  9.5072  27.083  9.9458  -5.617123      13.75885 
1 1 1 -22 23  23 o 18.137  7.8805  22.753     64.543   85.742     101.333  -20.2452   83.722   23.795  10.097  17.472  8.1315  6.323656       12.96420 
1 1 1 -22 23  24 o 18.596  7.9332  32.446     63.158   -69.9132   97.075   107.576    83.167   16.694  8.0455  24.948  9.6530  -8.254383      12.56627 
1 1 1 -22 23  25 o 12.252  5.9284  -62.8781   53.999   -101.6292  88.561   -39.9454   68.128   14.928  7.3052  14.934  7.0700  -0.5867004E-02 10.16621 
1 1 1 -22 23  26 o 11.029  5.5128  -132.9020  61.213   -87.9987   83.153   -186.0224  90.442   14.709  7.1722  13.116  6.5769  1.593637       9.731204 
1 1 1 -22 23  27 o 31.852  10.385  202.600    92.170   130.850    241.105  214.880    99.747   25.051  12.214  32.089  10.814  -7.037981      16.31358 
1 1 1 -22 23  28 o 12.162  6.0717  -142.7943  73.250   100.572    218.638  -173.5650  77.743   24.178  11.754  11.997  6.0270  12.18105       13.20878 
1 1 1 -22 23  29 o 26.837  10.330  149.938    94.862   140.035    104.897  194.393    222.256  25.740  10.542  25.877  12.395  -0.1369953     16.27159 
1 1 1 -22 23  30 o 17.875  8.1373  12.548     77.572   92.616     84.446   -420.0710  196.290  22.907  9.4288  ?       ?       0.000000       9.428812 
1 1 1 -22 23  31 o 38.638  8.2186  246.100    74.681   187.505    103.147  310.660    108.269  29.122  10.870  38.934  10.984  -9.812155      15.45293 
1 1 1 -22 23  32 o 33.245  8.5495  188.747    69.354   253.917    93.001   107.102    104.095  36.350  10.154  23.827  10.175  12.52365       14.37467 
1 1 1 -22 23  33 o 17.479  7.6938  22.755     63.283   102.687    87.550   -64.7018   91.578   23.624  9.6479  15.959  7.7215  7.665932       12.35733 
1 1 1 -22 23  34 o 22.728  9.8125  90.907     98.801   -74.9280   261.842  118.438    106.688  21.896  11.008  24.239  10.325  -2.343029      15.09214 
1 1 1 -22 23  35 o 28.869  11.058  197.345    108.350  375.524    260.821  160.184    119.114  27.933  13.392  25.926  10.971  2.006611       17.31211 
1 1 1 -22 23  36 o 17.674  8.3339  -4.4531    92.937   -45.0146   263.761  1.2967     99.306   21.437  10.811  18.220  8.5986  3.216419       13.81328 
1 1 1 -22 24  1  o 36.965  7.1938  191.333    62.202   83.931     118.570  232.114    73.063   26.357  11.038  40.407  7.7338  -14.05000      13.47787 
1 1 1 -22 24  2  o 37.823  7.2175  200.333    63.821   236.248    105.620  179.679    80.097   37.981  10.894  34.239  9.3691  3.741898       14.36903 
1 1 1 -22 24  3  o 25.354  8.0690  92.400     55.877   80.465     99.673   97.870     67.478   25.384  10.322  25.953  8.8937  -0.5692863     13.62514 
1 1 1 -22 24  4  o 29.663  7.7437  127.169    56.333   142.284    101.786  120.495    67.636   29.923  10.861  28.381  8.8571  1.541988       14.01446 
1 1 1 -22 24  5  o 63.755  7.9686  576.904    120.579  630.011    153.296  490.731    195.273  63.851  10.241  49.011  15.009  14.83987       18.17015 
1 1 1 -22 24  6  o 28.997  10.314  131.034    91.273   70.715     118.058  220.658    143.907  25.497  10.861  34.671  12.859  -9.174162      16.83212 
1 1 1 -22 24  7  o 45.810  9.8590  324.777    106.339  387.763    136.349  226.982    169.899  47.829  11.818  34.356  13.645  13.47327       18.05115 
1 1 1 -22 24  8  o 51.176  9.8087  402.884    117.367  427.799    149.562  362.950    189.351  49.351  12.482  41.088  14.829  8.262154       19.38249 
1 1 1 -22 24  9  o 50.084  15.460  537.185    206.701  0.0000     0.0000   537.185    206.701  ?       ?       50.084  15.460  0.000000       15.45969 
1 1 1 -22 24  10 o 21.826  8.7649  54.006     70.885   0.0000     0.0000   54.006     70.885   ?       ?       21.826  8.7649  0.000000       8.764921 
1 1 1 -22 24  11 o 50.369  6.3675  345.639    76.082   352.176    119.060  341.127    98.912   46.381  10.784  47.743  8.8647  -1.362171      13.95963 
1 1 1 -22 24  12 o 17.641  7.5030  17.688     56.183   82.919     80.254   -45.0107   78.680   24.483  9.4798  16.619  7.7832  7.864349       12.26565 
1 1 1 -22 24  13 o 31.160  8.0513  144.684    61.309   180.830    90.451   113.963    83.387   33.071  10.230  27.080  9.8301  5.990911       14.18728 
1 1 1 -22 24  14 o 12.643  6.0296  -52.7761   51.385   -19.4702   75.788   -81.1138   69.907   17.381  7.9622  14.102  6.8041  3.278389       10.47338 
1 1 1 -22 24  15 o 17.161  7.7037  -4.4178    66.697   -108.9839  149.606  21.521     74.512   20.311  9.8378  19.475  8.4647  0.8353710      12.97816 
1 1 1 -22 24  16 o 27.209  9.4821  118.660    76.853   232.083    153.481  80.704     88.785   33.244  13.043  24.145  9.7693  9.099335       16.29616 
1 1 1 -22 24  17 f 14.446  6.8351  -48.2497   63.498   5.6131     138.447  -62.5984   71.457   22.569  10.488  14.839  7.0861  7.729814       12.65757 
1 1 1 -22 24  18 o 36.527  7.7409  199.922    66.476   179.436    91.651   222.662    96.563   31.883  10.353  35.540  10.482  -3.656811      14.73288 
1 1 1 -22 24  19 o 17.787  7.4542  27.285     54.132   18.458     77.561   35.668     75.586   19.125  8.4628  20.030  8.6153  -0.9055500     12.07655 
1 1 1 -22 24  20 o 36.341  7.5627  199.127    64.515   62.416     89.961   343.889    92.572   22.295  9.4887  46.997  8.4275  -24.70230      12.69084 
1 1 1 -22 24  21 o 14.286  6.6366  -24.9528   55.360   -115.5906  83.107   47.345     74.225   14.181  6.9675  20.457  8.6588  -6.276371      11.11401 
1 1 1 -22 24  22 o 26.359  8.7135  116.364    64.811   41.015     98.728   173.426    85.916   21.119  9.4341  30.678  10.027  -9.559509      13.76762 
1 1 1 -22 24  23 o 16.949  7.4988  12.609     60.869   82.441     95.205   -35.6710   79.162   23.040  9.7823  16.219  7.6610  6.821136       12.42516 
1 1 1 -22 24  24 o 15.818  7.1445  -0.1212    58.376   -123.3359  89.398   91.472     77.077   14.370  7.0923  23.289  9.2093  -8.918860      11.62374 
1 1 1 -22 24  25 o 18.125  7.8740  29.510     64.419   31.550     101.002  28.111     83.640   20.205  9.2318  19.200  8.6225  1.005110       12.63224 
1 1 1 -22 24  26 o 16.439  7.6700  -14.9797   75.229   -359.3365  207.700  37.017     80.709   17.770  9.0262  19.401  8.6066  -1.630491      12.47174 
1 1 1 -22 24  27 o 17.055  7.9445  -8.2975    80.186   -326.1120  210.557  45.614     86.721   18.084  9.1756  20.031  8.9022  -1.947659      12.78437 
1 1 1 -22 24  28 o 12.604  6.2778  -135.7512  76.427   -155.5405  83.092   -27.0262   194.763  12.845  6.4208  21.247  10.483  -8.402257      12.29324 
1 1 1 -22 24  29 o 14.374  6.9402  -60.1713   73.050   -38.6571   79.336   -180.0254  187.255  15.725  7.4974  18.755  9.4127  -3.029505      12.03364 
1 1 1 -22 24  30 o 22.363  8.7390  86.034     68.685   124.158    93.531   41.408     101.193  24.817  10.032  20.305  9.2631  4.512190       13.65453 
1 1 1 -22 24  31 o 23.939  8.7220  101.781    65.735   119.967    88.516   79.417     98.156   24.722  9.8395  22.116  9.6618  2.606085       13.79006 
1 1 1 -22 24  32 o 20.298  8.2201  62.210     62.920   65.121     85.058   58.693     93.504   21.025  9.0910  20.886  9.2646  0.1397190      12.97990 
1 1 1 -22 24  33 o 25.713  10.638  148.103    108.214  -505.5773  263.647  280.540    118.671  ?       ?       34.064  11.788  0.000000       11.78773 
1 1 1 -22 24  34 o 23.925  10.150  120.506    102.379  129.266    251.080  118.759    112.123  23.635  11.705  23.679  10.336  -0.4457092E-01 15.61537 
1 1 1 -22 24  35 o 24.456  10.371  139.397    106.812  529.035    277.505  71.634     115.728  28.766  13.797  21.200  9.7584  7.566341       16.89961 
1 1 1 -22 25  1  o 22.998  8.0944  72.935     56.074   51.092     97.395   83.765     68.581   23.284  9.8904  24.440  8.9082  -1.155605      13.31077 
1 1 1 -22 25  2  o 15.640  7.1491  -22.2231   60.652   133.424    96.738   -123.0390  77.856   29.051  10.581  13.889  6.8081  15.16109       12.58230 
1 1 1 -22 25  3  o 17.687  8.1614  -30.2149   81.648   -28.2506   106.906  -32.9645   126.484  20.104  9.2984  21.407  9.9735  -1.302629      13.63562 
1 1 1 -22 25  4  o 44.981  9.5396  310.907    100.889  184.822    128.738  511.599    162.420  32.378  12.132  53.870  12.643  -21.49219      17.52231 
1 1 1 -22 25  5  o 21.295  9.1535  32.378     85.230   -19.5448   111.169  106.415    132.748  20.736  9.5522  27.636  11.632  -6.899628      15.05154 
1 1 1 -22 25  6  o 17.076  7.9819  -44.1909   82.076   -69.7645   108.883  -10.5374   124.906  18.720  8.8845  22.014  10.135  -3.294151      13.47788 
1 1 1 -22 25  7  o 47.045  10.121  350.465    112.101  522.350    142.943  75.870     180.672  56.913  10.745  27.510  12.483  29.40362       16.47058 
1 1 1 -22 25  8  o 53.355  7.2911  400.680    91.921   0.0000     0.0000   400.680    91.921   ?       ?       53.355  7.2911  0.000000       7.291082 
1 1 1 -22 25  9  o 19.416  8.3578  22.394     71.250   0.0000     0.0000   22.394     71.250   ?       ?       19.416  8.3578  0.000000       8.357819 
1 1 1 -22 25  10 o 16.964  7.6505  -9.3249    66.644   0.0000     0.0000   -9.3249    66.644   ?       ?       16.964  7.6505  0.000000       7.650458 
1 1 1 -22 25  11 o 18.267  7.6776  24.762     57.698   39.498     101.772  17.782     70.043   22.477  9.8284  18.920  8.2151  3.556864       12.80959 
1 1 1 -22 25  12 o 32.684  7.8816  158.954    61.779   115.145    86.860   203.807    87.887   26.957  9.9918  35.263  9.8777  -8.305504      14.05016 
1 1 1 -22 25  13 o 14.866  6.7485  -14.2471   52.874   56.776     81.480   -65.9115   69.494   22.218  9.2142  14.546  6.9576  7.672591       11.54599 
1 1 1 -22 25  14 o 23.995  9.2852  83.728     76.957   286.247    148.518  9.3948     89.978   36.710  13.146  19.880  8.9344  16.83047       15.89463 
1 1 1 -22 25  15 o 20.407  8.5491  42.440     71.162   47.856     156.844  41.036     79.855   24.632  11.347  20.861  8.9105  3.771507       14.42715 
1 1 1 -22 25  16 o 15.887  7.3622  -25.7713   67.497   146.870    153.933  -66.8654   75.102   28.097  12.189  15.019  7.1968  13.07799       14.15513 
1 1 1 -22 25  17 o 23.476  8.1688  84.201     57.029   4.7432     79.301   169.312    82.073   18.489  8.3409  31.324  9.7536  -12.83575      12.83368 
1 1 1 -22 25  18 o 36.870  7.4966  204.358    64.781   180.385    88.675   231.796    94.866   31.628  10.175  35.945  10.329  -4.316984      14.49924 
1 1 1 -22 25  19 o 33.798  8.1287  180.246    65.846   177.426    90.123   183.475    96.437   30.961  10.277  31.013  10.632  -0.5191040E-01 14.78723 
1 1 1 -22 25  20 o 28.886  8.5345  138.198    63.968   86.413     90.172   190.659    90.759   23.421  9.7016  31.852  10.299  -8.430706      14.14897 
1 1 1 -22 25  21 o 26.742  8.5793  120.551    63.073   214.069    90.925   33.813     87.567   33.762  10.222  20.027  8.9202  13.73403       13.56658 
1 1 1 -22 25  22 o 21.278  8.3422  68.899     62.743   121.250    93.104   25.345     84.922   25.350  10.091  19.286  8.6723  6.064049       13.30531 
1 1 1 -22 25  23 o 20.188  8.2922  57.058     65.141   52.031     101.356  60.596     85.028   21.141  9.4933  21.075  9.1010  0.6611633E-01  13.15103 
1 1 1 -22 25  24 o 16.021  7.2632  1.9835     60.991   -36.7854   97.522   26.888     78.163   17.281  8.2593  18.690  8.3685  -1.409105      11.75790 
1 1 1 -22 25  25 o 20.314  8.8029  55.519     80.110   -109.6682  228.384  78.694     85.545   20.859  10.459  21.877  9.2797  -1.017157      13.98212 
1 1 1 -22 25  26 o 25.711  12.807  277.859    318.328  0.0000     0.0000   277.859    318.328  ?       ?       25.711  12.807  0.000000       12.80727 
1 1 1 -22 25  27 o 23.918  10.366  117.894    111.108  138.075    118.843  -22.1788   313.099  24.830  10.741  22.685  11.476  2.144897       15.71832 
1 1 1 -22 25  28 o 22.422  9.3501  89.787     84.563   97.733     93.300   53.219     200.143  22.906  9.7023  22.491  11.001  0.4146309      14.66838 
1 1 1 -22 25  29 o 31.969  8.5909  179.067    68.067   185.827    93.863   171.568    98.853   29.368  10.458  27.793  10.582  1.574732       14.87752 
1 1 1 -22 25  30 o 36.550  8.4112  226.753    73.046   365.011    103.404  89.036     103.202  44.385  9.8579  22.507  9.8679  21.87854       13.94823 
1 1 1 -22 25  31 o 19.231  8.7750  29.606     90.859   -37.3126   230.456  41.922     98.867   21.563  10.766  20.105  9.1658  1.458385       14.13933 
1 1 1 -22 25  32 o 18.864  8.7110  21.386     93.277   -151.3363  233.988  54.020     101.708  20.128  10.155  20.590  9.3518  -0.4613819     13.80477 
1 1 1 -22 25  33 o 13.642  6.7513  -111.7957  82.993   -147.3333  226.366  -106.2770  89.205   19.721  9.9540  14.318  7.0701  5.403039       12.20937 
1 1 1 -22 25  34 o 18.946  8.8964  24.294     103.949  273.212    262.036  -22.1939   113.241  24.539  12.117  17.865  8.6293  6.674421       14.87565 
1 1 1 -22 26  1  o 20.853  8.9606  30.876     81.626   -116.3713  106.405  241.448    127.245  17.055  8.2695  36.263  12.214  -19.20837      14.75016 
1 1 1 -22 26  2  o 24.288  9.7834  76.322     88.609   51.000     113.390  116.039    142.010  23.903  10.415  28.097  11.939  -4.194012      15.84345 
1 1 1 -22 26  3  o 32.263  10.544  173.663    94.993   123.741    121.282  252.896    152.792  28.151  11.408  35.633  13.243  -7.481150      17.47961 
1 1 1 -22 26  4  o 35.390  10.513  208.983    96.858   222.869    126.145  189.036    151.186  34.744  12.146  31.822  12.793  2.922392       17.64024 
1 1 1 -22 26  5  o 31.436  10.603  166.054    95.893   222.227    125.308  86.668     148.967  34.657  12.106  26.762  11.791  7.895565       16.89921 
1 1 1 -22 26  6  o 42.904  8.0340  269.835    80.563   845.888    205.016  164.639    87.610   68.755  12.759  31.621  10.108  37.13392       16.27757 
1 1 1 -22 26  7  o 17.304  7.6718  1.7550     64.036   0.0000     0.0000   1.7550     64.036   ?       ?       17.304  7.6718  0.000000       7.671821 
1 1 1 -22 26  8  o 39.696  8.7334  240.565    81.834   0.0000     0.0000   240.565    81.834   ?       ?       39.696  8.7334  0.000000       8.733380 
1 1 1 -22 26  9  o 19.907  8.3144  36.598     67.018   0.0000     0.0000   36.598     67.018   ?       ?       19.907  8.3144  0.000000       8.314422 
1 1 1 -22 26  10 o 11.819  5.7226  -67.7383   50.503   -24.9825   105.396  -80.4817   57.540   19.643  9.1358  12.396  6.0266  7.247049       10.94451 
1 1 1 -22 26  11 o 15.509  6.8672  -0.5024    51.151   4.3452     76.142   -4.4897    69.055   18.487  8.2699  17.312  7.7992  1.175024       11.36743 
1 1 1 -22 26  12 o 44.937  8.5627  309.303    89.954   315.369    177.683  307.212    104.310  36.207  14.082  42.850  10.183  -6.643005      17.37747 
1 1 1 -22 26  13 o 17.595  7.8107  6.6803     66.578   -19.9060   149.805  13.224     74.321   22.145  10.484  18.686  8.2757  3.458794       13.35662 
1 1 1 -22 26  14 o 24.836  9.4212  97.806     78.177   3.6995     150.840  132.368    91.412   22.690  10.674  27.578  10.245  -4.887814      14.79517 
1 1 1 -22 26  15 o 24.153  8.3760  91.106     59.933   46.248     85.152   135.142    84.369   21.164  9.1235  27.829  9.9143  -6.664852      13.47338 
1 1 1 -22 26  16 o 30.617  8.3683  150.355    63.943   115.576    88.278   188.744    92.745   25.883  9.9645  31.978  10.416  -6.095505      14.41508 
1 1 1 -22 26  17 o 22.520  8.3120  78.068     59.982   71.932     85.582   83.992     84.093   22.505  9.3973  23.306  9.4795  -0.8010616     13.34801 
1 1 1 -22 26  18 f 22.455  8.2215  78.699     58.510   35.384     84.378   118.816    81.203   20.067  8.8560  25.878  9.6473  -5.811552      13.09577 
1 1 1 -22 26  19 o 19.964  7.9820  54.336     58.508   178.764    83.437   -66.0317   82.064   31.089  9.8564  15.372  7.4057  15.71714       12.32860 
1 1 1 -22 26  20 o 15.626  6.9009  8.3344     51.323   -87.9715   72.702   104.001    72.460   13.636  6.6615  24.396  9.1095  -10.75967      11.28538 
1 1 1 -22 26  21 o 26.023  8.5659  117.397    62.658   251.147    86.297   -31.7349   91.124   37.459  9.4850  17.111  8.1227  20.34827       12.48770 
1 1 1 -22 26  22 o 25.638  9.0187  119.989    69.603   129.044    106.385  113.212    92.033   25.004  10.462  24.269  9.8993  0.7345772      14.40323 
1 1 1 -22 26  23 o 15.398  7.0981  -8.5456    61.527   -28.4359   97.800   4.4827     79.152   17.436  8.3161  17.486  8.0568  -0.4949760E-01 11.57883 
1 1 1 -22 26  24 o 12.887  6.2462  -62.0724   60.543   7.3152     97.215   -106.0344  77.380   18.581  8.6859  13.375  6.6008  5.205497       10.90940 
1 1 1 -22 26  25 o 23.614  11.807  113.214    281.638  0.0000     0.0000   113.214    281.638  ?       ?       23.614  11.807  0.000000       11.80664 
1 1 1 -22 26  26 o 15.835  7.6963  -65.7794   93.619   -70.4457   98.510   -22.2651   300.825  16.060  7.8256  22.303  11.279  -6.242657      13.72792 
1 1 1 -22 26  27 o 19.118  8.9511  16.121     103.937  55.309     110.285  -295.1962  310.846  20.843  9.5689  ?       ?       0.000000       9.568857 
1 1 1 -22 26  28 o 19.057  8.0170  49.067     63.006   -0.7610    93.909   89.860     84.969   18.018  8.4591  22.300  9.3420  -4.281719      12.60275 
1 1 1 -22 26  29 o 23.989  8.5075  103.220    62.057   81.727     87.469   125.004    88.058   21.816  9.3223  24.737  9.8239  -2.920345      13.54307 
1 1 1 -22 26  30 o 18.276  8.4774  12.145     89.813   -5.7416    246.865  14.873     96.421   21.915  10.971  18.720  8.7171  3.195078       14.01278 
1 1 1 -22 26  31 o 11.613  5.7771  -114.2647  63.897   -518.8729  235.272  -82.0443   66.392   ?       ?       12.803  6.2779  0.000000       6.277945 
1 1 1 -22 26  32 o 20.425  9.0327  65.410     88.223   24.530     260.078  70.726     93.784   21.744  10.936  20.788  9.2471  0.9557743      14.32136 
1 1 1 -22 26  33 o 14.314  7.0030  -72.1779   81.219   431.229    256.168  -128.4366  85.637   26.687  12.913  13.297  6.6266  13.39000       14.51384 
1 1 1 -22 27  1  o 53.449  8.7030  428.853    108.983  380.177    139.251  505.800    175.080  45.588  12.303  50.337  13.884  -4.749134      18.55089 
1 1 1 -22 27  2  o 54.232  8.7726  443.268    111.497  400.935    142.212  510.800    179.620  46.793  12.346  49.948  14.167  -3.155285      18.79194 
1 1 1 -22 27  3  o 41.787  10.412  289.691    105.183  316.486    132.883  244.736    172.120  41.025  12.343  33.786  13.626  7.239265       18.38505 
1 1 1 -22 27  4  o 34.971  12.360  237.113    130.875  89.556     228.523  309.130    159.650  28.154  13.211  38.018  13.628  -9.863043      18.98020 
1 1 1 -22 27  5  o 15.755  7.1509  -13.6047   59.329   12.760     214.428  -15.7904   61.740   25.930  12.352  15.926  7.2540  10.00327       14.32488 
1 1 1 -22 27  6  o 20.171  7.9658  48.282     57.598   -141.4853  169.157  73.169     61.259   20.670  10.111  22.740  8.3986  -2.069807      13.14421 
1 1 1 -22 27  7  o 19.783  8.1345  40.242     62.770   0.0000     0.0000   40.242     62.770   ?       ?       19.783  8.1345  0.000000       8.134512 
1 1 1 -22 27  8  o 36.678  9.1753  214.890    81.452   0.0000     0.0000   214.890    81.452   ?       ?       36.678  9.1753  0.000000       9.175303 
1 1 1 -22 27  9  o 32.887  8.5164  168.933    68.498   317.518    121.249  99.283     83.014   41.498  11.594  25.233  9.6755  16.26495       15.10102 
1 1 1 -22 27  10 o 23.023  8.8602  76.721     69.775   419.136    157.104  -7.4186    77.877   44.505  13.427  17.881  8.1453  26.62424       15.70487 
1 1 1 -22 27  11 o 18.030  7.9253  14.189     66.948   93.010     149.359  -5.6287    74.893   25.713  11.537  17.628  8.0138  8.084461       14.04687 
1 1 1 -22 27  12 o 21.410  8.8216  57.561     74.012   -3.6520    145.666  78.863     85.930   22.111  10.428  23.361  9.5514  -1.249987      14.14149 
1 1 1 -22 27  13 o 32.153  9.5706  178.031    80.212   235.017    160.151  158.949    92.674   31.357  12.954  29.404  10.400  1.952677       16.61220 
1 1 1 -22 27  14 o 19.790  8.0241  48.387     60.034   85.259     89.017   17.626     81.307   23.558  9.6869  19.102  8.5452  4.456356       12.91726 
1 1 1 -22 27  15 o 19.836  7.9387  51.236     57.937   -46.3172   89.741   120.959    75.867   16.885  8.0287  26.357  9.4002  -9.471962      12.36225 
1 1 1 -22 27  16 o 15.597  7.0917  -6.3783    58.685   5.6867     82.256   -18.8863   83.752   18.334  8.3593  17.342  8.0917  0.9924335      11.63417 
1 1 1 -22 27  17 o 14.778  6.7266  -8.1090    52.976   -51.4837   77.460   30.007     72.613   15.404  7.3618  18.880  8.2774  -3.475959      11.07753 
1 1 1 -22 27  18 o 23.824  8.4961  95.623     61.973   218.301    88.379   -23.0512   86.925   34.045  10.024  17.204  8.0963  16.84100       12.88529 
1 1 1 -22 27  19 o 14.493  6.6354  -9.7959    52.532   -99.2970   74.737   77.607     73.855   13.441  6.6047  21.929  8.8971  -8.488647      11.08062 
1 1 1 -22 27  20 o 20.662  7.9544  66.765     56.252   99.544     83.071   39.004     76.447   23.379  9.4531  19.231  8.4607  4.148319       12.68636 
1 1 1 -22 27  21 o 26.622  8.4373  125.115    61.145   112.360    85.762   138.301    87.199   24.058  9.6480  25.996  9.9287  -1.937773      13.84425 
1 1 1 -22 27  22 o 12.385  6.0563  -75.8705   60.537   -28.3438   88.477   -117.7029  83.008   16.676  7.9415  13.597  6.7331  3.078780       10.41164 
1 1 1 -22 27  23 o 16.900  7.5278  19.152     62.372   16.308     97.784   21.103     80.986   18.797  8.7616  18.170  8.2883  0.6272564      12.06076 
1 1 1 -22 27  24 o 21.910  11.108  -46.3610   304.431  0.0000     0.0000   -46.3610   304.431  ?       ?       21.910  11.108  0.000000       11.10818 
1 1 1 -22 27  25 o 23.426  10.084  115.170    103.713  118.173    111.083  94.761     289.553  23.483  10.268  23.035  11.579  0.4478493      15.47642 
1 1 1 -22 27  26 o 22.508  8.6323  91.681     66.086   90.412     97.986   92.739     89.506   22.135  9.6622  22.276  9.4722  -0.1413097     13.53073 
1 1 1 -22 27  27 o 24.890  9.1866  120.653    73.268   148.853    111.217  99.030     97.388   25.195  10.628  22.656  9.7620  2.538528       14.43092 
1 1 1 -22 27  28 o 10.707  5.3248  -102.6352  54.120   -240.5154  88.030   -18.8563   68.619   11.710  5.9408  15.391  7.2275  -3.681134      9.355747 
1 1 1 -22 27  29 o 22.783  9.5289  101.478    88.197   -143.6578  251.000  136.009    94.205   20.267  10.255  24.931  10.072  -4.664167      14.37356 
1 1 1 -22 27  30 o 13.699  6.6970  -75.6521   73.846   -195.8162  243.724  -63.5057   77.488   19.441  9.8653  14.411  7.0035  5.030600       12.09844 
1 1 1 -22 27  31 o 20.426  8.9533  70.095     84.908   -355.5951  255.659  122.871    90.018   ?       ?       23.644  9.7339  0.000000       9.733918 
1 1 1 -22 27  32 o 13.728  6.7281  -73.5184   75.982   -31.6936   250.966  -77.7391   79.724   20.262  10.253  13.933  6.8415  6.329287       12.32588 
1 1 1 -22 28  1  o 28.905  8.3447  128.921    61.787   57.322     119.119  155.276    72.270   23.886  10.533  31.198  9.0301  -7.312120      13.87384 
1 1 1 -22 28  2  o 37.292  7.3393  202.286    64.046   222.019    109.069  191.901    79.124   34.816  11.294  34.542  9.2541  0.2740097      14.60087 
1 1 1 -22 28  3  o 17.532  7.4504  20.560     55.312   44.434     91.377   6.7537     69.489   21.822  9.4290  17.979  7.9805  3.842812       12.35292 
1 1 1 -22 28  4  o 15.436  7.0609  -17.4529   59.302   -207.2232  215.564  -1.9151    61.682   21.592  10.720  16.628  7.4404  4.964384       13.04884 
1 1 1 -22 28  5  o 41.511  8.0325  258.998    77.982   427.450    135.955  176.404    95.198   48.546  11.683  31.518  10.565  17.02808       15.75160 
1 1 1 -22 28  6  o 65.772  7.5903  633.210    118.910  0.0000     0.0000   633.210    118.910  ?       ?       65.772  7.5903  0.000000       7.590321 
1 1 1 -22 28  7  o 68.167  7.4235  677.416    120.801  0.0000     0.0000   677.416    120.801  ?       ?       68.167  7.4235  0.000000       7.423476 
1 1 1 -22 28  8  o 14.011  6.7049  -59.7661   64.690   0.0000     0.0000   -59.7661   64.690   ?       ?       14.011  6.7049  0.000000       6.704859 
1 1 1 -22 28  9  o 15.621  7.1302  -12.8926   60.061   -53.0359   190.670  -8.4706    63.283   22.650  11.003  16.231  7.3738  6.419460       13.24508 
1 1 1 -22 28  10 o 31.445  9.1779  166.170    74.377   32.552     161.646  202.056    83.772   23.547  11.069  34.257  9.6605  -10.70982      14.69157 
1 1 1 -22 28  11 o 29.342  9.3570  148.502    75.112   254.536    165.116  120.834    84.344   31.750  13.138  26.286  9.8257  5.463825       16.40569 
1 1 1 -22 28  12 o 41.900  6.5278  253.225    64.205   267.368    95.362   241.497    86.835   38.836  10.045  37.501  9.5247  1.334419       13.84249 
1 1 1 -22 28  13 o 22.429  8.3236  78.622     60.312   94.573     87.033   63.884     83.657   23.881  9.6689  21.727  9.1942  2.153816       13.34246 
1 1 1 -22 28  14 o 19.456  7.9089  48.555     58.490   55.717     84.176   41.869     81.333   21.086  9.0806  20.133  8.7953  0.9533596      12.64175 
1 1 1 -22 28  15 o 52.923  6.0079  398.756    75.782   292.945    108.332  500.153    106.048  38.280  11.049  56.378  7.9748  -18.09745      13.62625 
1 1 1 -22 28  16 o 50.716  6.5142  377.724    78.310   320.827    108.861  438.741    112.734  40.325  10.876  49.973  9.6467  -9.647346      14.53794 
1 1 1 -22 28  17 o 23.732  8.5024  97.005     62.134   115.943    88.012   78.187     87.731   24.631  9.8088  22.065  9.3800  2.565741       13.57195 
1 1 1 -22 28  18 o 15.005  6.8504  -4.9922    55.471   51.226     80.961   -54.7342   76.155   20.085  8.7748  14.877  7.1591  5.208614       11.32471 
1 1 1 -22 28  19 o 16.070  7.0475  16.796     52.671   -31.8556   84.037   48.274     67.596   16.270  7.7457  19.245  8.2086  -2.975357      11.28614 
1 1 1 -22 28  20 o 17.365  7.4196  32.495     55.397   37.979     87.471   28.822     71.583   19.319  8.7338  18.079  8.0579  1.240055       11.88316 
1 1 1 -22 28  21 o 28.115  8.7001  145.581    65.415   280.308    93.755   17.777     91.314   37.573  10.076  18.469  8.5602  19.10383       13.22170 
1 1 1 -22 28  22 o 17.797  8.1686  17.038     80.292   32.813     82.452   -272.3174  353.130  18.671  8.4566  ?       ?       0.000000       8.456626 
1 1 1 -22 28  23 o 23.194  11.717  141.180    317.599  0.0000     0.0000   141.180    317.599  ?       ?       23.194  11.717  0.000000       11.71683 
1 1 1 -22 28  24 o 17.561  8.4353  -23.3997   104.549  -19.2287   111.115  -55.5935   308.702  18.012  8.6629  21.552  10.953  -3.539932      13.96447 
1 1 1 -22 28  25 o 27.591  9.2547  150.653    73.051   70.509     106.473  221.934    100.413  21.058  9.5660  30.786  10.832  -9.728569      14.45138 
1 1 1 -22 28  26 o 30.940  9.1367  182.030    73.330   178.755    111.113  184.557    97.603   26.719  10.885  28.171  10.562  -1.452635      15.16733 
1 1 1 -22 28  27 o 19.262  8.1117  54.073     64.609   66.558     96.877   44.072     86.708   20.743  9.3002  19.377  8.7336  1.366144       12.75806 
1 1 1 -22 28  28 o 27.503  10.565  180.679    99.088   542.623    247.257  111.429    108.152  30.624  14.156  22.846  10.057  7.777124       17.36465 
1 1 1 -22 28  29 f 22.751  9.6685  109.739    93.153   239.995    259.525  90.476     99.803   23.966  11.875  21.623  9.5825  2.343601       15.25868 
1 1 1 -22 28  30 o 18.132  8.3393  29.609     84.274   45.890     236.639  27.245     90.187   21.095  10.586  18.260  8.4788  2.834549       13.56310 
1 1 1 -22 28  31 o 19.789  8.8079  68.945     85.210   -171.3239  241.643  103.063    91.059   ?       ?       21.647  9.3829  0.000000       9.382851 
1 1 1 -22 29  1  o 33.626  7.9329  172.274    63.678   109.982    93.857   225.403    86.679   25.931  10.191  36.832  9.6009  -10.90087      14.00154 
1 1 1 -22 29  2  o 16.407  7.1357  10.606     53.022   -4.4502    89.211   18.829     65.930   18.920  8.6568  18.252  7.9477  0.6679707      11.75187 
1 1 1 -22 29  3  o 29.236  8.5873  136.825    64.929   202.747    99.046   87.147     85.982   33.229  10.761  24.064  9.6568  9.165487       14.45835 
1 1 1 -22 29  4  o 50.450  6.7681  363.932    80.761   366.200    135.304  362.677    100.659  42.812  12.345  47.736  9.0210  -4.924068      15.29008 
1 1 1 -22 29  5  f 50.762  7.1957  376.399    86.147   358.755    167.901  382.703    100.364  38.077  13.929  49.379  8.6942  -11.30238      16.41999 
1 1 1 -22 29  6  f 25.199  9.9580  105.528    90.064   0.0000     0.0000   105.528    90.064   ?       ?       25.199  9.9580  0.000000       9.958043 
1 1 1 -22 29  7  o 11.707  5.7595  -94.9448   57.390   0.0000     0.0000   -94.9448   57.390   ?       ?       11.707  5.7595  0.000000       5.759483 
1 1 1 -22 29  8  o 19.719  8.3114  42.182     67.930   162.913    183.316  22.965     73.136   27.508  12.518  18.789  8.2708  8.718956       15.00328 
1 1 1 -22 29  9  o 18.925  7.9699  37.175     62.374   16.408     138.716  42.438     69.832   21.874  10.273  19.762  8.3837  2.111095       13.25965 
1 1 1 -22 29  10 o 18.930  7.6100  44.630     53.500   -11.7022   87.769   77.934     67.487   17.980  8.3541  22.396  8.6872  -4.415821      12.05227 
1 1 1 -22 29  11 o 19.988  7.8200  55.922     55.048   66.786     88.369   49.033     70.369   21.906  9.3656  20.068  8.4590  1.838501       12.62019 
1 1 1 -22 29  12 o 36.983  7.7057  214.487    66.904   341.147    97.131   100.144    92.288   44.746  9.2518  23.928  9.8539  20.81783       13.51653 
1 1 1 -22 29  13 o 32.283  8.0468  170.027    62.808   318.431    94.089   50.740     84.355   42.884  9.3093  20.533  8.9640  22.35127       12.92344 
1 1 1 -22 29  14 o 27.396  8.2580  127.418    59.442   166.653    88.557   95.246     80.192   28.801  10.168  23.267  9.3300  5.533754       13.80015 
1 1 1 -22 29  15 o 16.067  7.1086  12.512     54.698   99.351     82.161   -56.6150   73.304   23.376  9.4189  14.566  7.0129  8.810053       11.74298 
1 1 1 -22 29  16 o 22.442  8.4670  86.842     62.926   24.126     89.845   147.226    88.159   18.979  8.6850  26.673  10.031  -7.693874      13.26812 
1 1 1 -22 29  17 o 26.407  8.2829  122.908    59.067   81.651     86.755   158.560    80.646   21.780  9.2949  28.019  9.7162  -6.239357      13.44611 
1 1 1 -22 29  18 o 24.675  8.4206  110.312    60.488   49.404     88.263   164.248    83.059   19.829  8.8846  28.064  9.8531  -8.234980      13.26725 
1 1 1 -22 29  19 o 32.078  8.2960  180.335    65.054   123.535    92.474   235.984    91.532   24.034  9.8768  33.447  10.282  -9.413046      14.25703 
1 1 1 -22 29  20 o 15.077  6.8280  3.8767     53.737   41.638     81.320   -25.3941   71.596   18.973  8.5127  15.238  7.2240  3.734776       11.16475 
1 1 1 -22 29  21 o 19.794  9.0396  49.815     96.692   33.319     100.134  277.463    371.979  19.208  8.9241  23.766  12.073  -4.558069      15.01293 
1 1 1 -22 29  22 o 19.029  8.8403  31.273     98.239   2.0308     101.769  430.918    376.227  18.101  8.5904  24.755  12.529  -6.653925      15.19126 
1 1 1 -22 29  23 o 16.621  8.0778  -49.1922   103.111  -56.3446   109.401  7.6971     308.539  16.792  8.1962  21.744  11.040  -4.952040      13.74997 
1 1 1 -22 29  24 o 30.214  8.9282  173.149    70.001   181.719    111.298  167.540    90.040   26.531  10.861  27.190  10.154  -0.6584873     14.86872 
1 1 1 -22 29  25 o 30.766  8.8636  177.410    69.775   129.190    105.256  215.212    93.194   23.786  10.197  30.968  10.453  -7.182121      14.60248 
1 1 1 -22 29  26 o 17.400  7.7144  28.667     64.748   124.142    97.426   -46.8613   86.653   23.641  9.9586  15.614  7.5437  8.027130       12.49320 
1 1 1 -22 29  27 o 23.095  9.8841  118.495    98.604   279.397    251.810  89.356     107.161  24.549  12.075  21.524  9.7046  3.024973       15.49161 
1 1 1 -22 29  28 f 14.207  6.9086  -58.5087   75.693   -35.6598   222.526  -61.4984   80.493   20.063  10.094  14.518  7.0740  5.545104       12.32584 
1 1 1 -22 29  29 o 25.364  10.099  160.618    93.280   -18.3981   262.188  186.561    99.810   20.241  10.267  26.628  10.496  -6.386574      14.68222 
1 1 1 -22 29  30 o 20.983  9.1852  96.482     89.104   6.3359     244.469  110.292    95.686   19.800  10.029  21.598  9.4847  -1.798071      13.80389 
1 1 1 -22 30  1  o 25.212  8.6211  102.636    63.403   188.467    94.031   31.081     85.856   31.887  10.493  20.215  8.9268  11.67116       13.77672 
1 1 1 -22 30  2  f 32.596  8.2745  168.898    65.560   191.471    99.232   151.413    87.334   31.643  10.785  28.899  10.106  2.744396       14.78028 
1 1 1 -22 30  3  f 18.926  7.7722  40.266     57.214   19.986     94.238   52.105     72.002   20.049  9.0642  20.682  8.6265  -0.6335506     12.51301 
1 1 1 -22 30  4  o 29.771  10.258  165.137    89.828   0.0000     0.0000   165.137    89.828   ?       ?       29.771  10.258  0.000000       10.25832 
1 1 1 -22 30  5  o 32.796  10.479  203.699    94.165   0.0000     0.0000   203.699    94.165   ?       ?       32.796  10.479  0.000000       10.47874 
1 1 1 -22 30  6  o 23.792  9.5059  93.532     82.918   0.0000     0.0000   93.532     82.918   ?       ?       23.792  9.5059  0.000000       9.505909 
1 1 1 -22 30  7  o 25.194  9.5211  112.075    79.651   90.509     241.109  114.716    84.389   25.247  12.289  25.308  9.7428  -0.6124115E-01 15.68256 
1 1 1 -22 30  8  o 13.080  6.1140  -26.5830   48.148   -27.1308   79.182   -26.2617   60.648   16.514  7.7575  14.689  6.8647  1.824414       10.35872 
1 1 1 -22 30  9  o 13.824  6.3514  -14.3847   48.710   -11.0055   78.793   -16.4750   61.971   17.102  7.9356  15.277  7.0707  1.825053       10.62861 
1 1 1 -22 30  10 o 17.036  7.3332  23.832     54.849   187.121    86.564   -85.7033   70.898   31.095  10.059  13.463  6.5773  17.63216       12.01822 
1 1 1 -22 30  11 o 18.515  7.6620  42.159     56.164   83.716     84.090   8.6906     75.465   22.436  9.3372  17.619  8.0230  4.816568       12.31061 
1 1 1 -22 30  12 o 21.730  7.8365  76.720     52.868   -8.2640    82.307   136.411    68.980   17.230  8.0336  27.351  8.9869  -10.12085      12.05418 
1 1 1 -22 30  13 f 8.7105  4.3683  -99.6161   39.944   -141.8701  73.562   -81.9488   47.567   12.141  6.0650  10.469  5.1683  1.672221       7.968407 
1 1 1 -22 30  14 o 20.686  8.0528  69.157     58.151   52.547     87.048   82.542     78.145   20.150  8.9385  21.843  9.0383  -1.693344      12.71171 
1 1 1 -22 30  15 o 13.327  6.2509  -23.6179   51.084   134.178    81.540   -125.5657  65.541   25.585  9.6418  11.538  5.7577  14.04690       11.23013 
1 1 1 -22 30  16 o 36.954  7.8368  227.533    68.090   173.951    102.363  270.057    91.190   26.977  10.630  36.876  9.9580  -9.898819      14.56588 
1 1 1 -22 30  17 o 26.384  8.6108  130.487    63.366   170.432    89.814   90.896     89.415   27.521  10.168  21.862  9.3857  5.659737       13.83793 
1 1 1 -22 30  18 o 24.051  8.6593  110.736    64.522   63.189     94.604   152.089    88.226   20.292  9.1365  25.998  9.9732  -5.705370      13.52556 
1 1 1 -22 30  19 o 16.693  7.9403  -14.8535   87.925   -4.0859    90.564   -191.5645  366.885  17.234  8.1567  ?       ?       0.000000       8.156731 
1 1 1 -22 30  20 f 16.815  7.9788  -10.3189   87.728   4.1052     90.299   -252.8466  370.269  17.492  8.2380  ?       ?       0.000000       8.238025 
1 1 1 -22 30  21 o 20.432  9.2359  68.291     97.788   55.751     101.216  244.040    378.921  19.938  9.1586  ?       ?       0.000000       9.158648 
1 1 1 -22 30  22 f 17.520  7.5832  36.435     59.306   59.550     91.196   19.495     78.068   19.918  8.9689  17.511  8.0437  2.406437       12.04749 
1 1 1 -22 30  23 o 14.120  6.4237  -1.0725    48.235   -91.9003   82.569   45.980     59.429   13.937  6.8667  18.258  7.7390  -4.320498      10.34623 
1 1 1 -22 30  24 o 12.343  5.9323  -43.3260   51.878   -9.7642    91.022   -59.4738   63.136   17.044  8.0991  13.036  6.3321  4.008834       10.28060 
1 1 1 -22 30  25 o 23.847  11.827  252.467    259.793  252.467    259.793  0.0000     0.0000   23.847  11.827  ?       ?       0.000000       11.82686 
1 1 1 -22 30  26 o ?       ?       -263.0827  221.361  -263.0827  221.361  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -22 30  27 o 15.122  7.1839  -19.4586   71.518   187.829    246.225  -38.5580   74.741   22.373  11.164  14.665  7.0655  7.708518       13.21164 
1 1 1 -22 30  28 o 22.473  9.2613  115.063    81.590   -86.1432   239.883  141.385    86.763   19.041  9.6744  24.052  9.6834  -5.010624      13.68802 
1 1 1 -22 31  1  o 33.215  10.271  207.267    91.188   529.110    197.334  119.882    102.825  42.265  15.151  25.497  10.439  16.76796       18.39937 
1 1 1 -22 31  2  o 51.134  9.2782  438.374    110.878  730.555    219.417  338.178    128.490  49.957  15.999  39.522  12.187  10.43479       20.11210 
1 1 1 -22 31  3  o 67.128  8.1380  709.953    129.843  909.004    277.723  654.274    146.885  47.421  17.809  60.429  10.392  -13.00841      20.61959 
1 1 1 -22 31  4  o 53.969  10.309  524.023    130.069  0.0000     0.0000   524.023    130.069  ?       ?       53.969  10.309  0.000000       10.30857 
1 1 1 -22 31  5  o 37.747  10.712  278.138    102.661  0.0000     0.0000   278.138    102.661  ?       ?       37.747  10.712  0.000000       10.71180 
1 1 1 -22 31  6  o 32.160  10.107  199.468    87.893   0.0000     0.0000   199.468    87.893   ?       ?       32.160  10.107  0.000000       10.10654 
1 1 1 -22 31  7  o 13.502  6.4323  -42.9194   58.153   10.101     117.237  -60.2217   66.972   20.037  9.4213  13.848  6.6761  6.189054       11.54690 
1 1 1 -22 31  8  o 14.296  6.6093  -15.4681   53.934   -47.3219   78.339   13.235     74.363   15.413  7.3764  17.727  8.0297  -2.313357      10.90354 
1 1 1 -22 31  9  o 11.719  5.6150  -43.4959   45.687   -140.0369  77.946   7.0314     56.390   12.674  6.3172  15.843  7.0997  -3.168340      9.503327 
1 1 1 -22 31  10 o 16.358  7.0956  20.859     52.152   -51.4950   85.388   63.908     65.864   15.740  7.5761  20.420  8.3569  -4.679159      11.27988 
1 1 1 -22 31  11 o 13.919  6.4196  -12.2703   50.435   24.627     81.149   -35.4928   64.378   18.437  8.3661  14.334  6.8111  4.103474       10.78805 
1 1 1 -22 31  12 o 16.973  7.2908  29.028     54.005   -6.5189    84.835   53.249     70.027   17.153  8.0487  19.506  8.3383  -2.352884      11.58917 
1 1 1 -22 31  13 o 16.050  7.0388  19.155     52.539   9.4342     82.421   25.809     68.188   17.566  8.1386  17.563  7.8435  0.2977371E-02  11.30302 
1 1 1 -22 31  14 f 11.673  5.7206  -72.4002   54.878   -89.4028   77.096   -54.9375   78.133   13.589  6.6835  14.711  7.1214  -1.122211      9.766462 
1 1 1 -22 31  15 o 27.399  8.8198  144.656    66.616   175.810    92.372   110.893    96.161   27.461  10.279  22.772  9.7537  4.689684       14.17025 
1 1 1 -22 31  16 o 20.735  8.3240  76.483     63.911   65.532     88.994   88.147     91.841   20.158  8.9845  21.391  9.3454  -1.232479      12.96370 
1 1 1 -22 31  17 o 19.439  7.9331  62.082     59.140   46.905     83.770   77.162     83.504   19.000  8.5721  20.657  8.9695  -1.656565      12.40696 
1 1 1 -22 31  18 o 11.914  5.9989  -167.9623  79.512   -168.0024  81.436   -167.1443  367.967  12.093  6.0867  ?       ?       0.000000       6.086740 
1 1 1 -22 31  19 o 22.887  9.9707  123.159    103.878  104.399    107.855  363.559    386.095  21.897  9.8156  ?       ?       0.000000       9.815623 
1 1 1 -22 31  20 o 28.201  11.080  218.940    110.899  205.773    115.557  372.454    394.569  26.925  11.050  ?       ?       0.000000       11.05012 
1 1 1 -22 31  21 o 24.490  8.3924  114.277    60.086   46.450     92.047   164.640    79.316   19.163  8.7772  27.516  9.6304  -8.353275      13.03009 
1 1 1 -22 31  22 o 26.459  8.7930  137.746    65.966   107.461    98.893   162.023    88.543   22.238  9.7071  26.357  10.020  -4.118629      13.95069 
1 1 1 -22 31  23 o 15.661  7.0690  12.046     57.042   5.7154     93.366   15.816     72.053   17.561  8.3026  16.880  7.7440  0.6814156      11.35354 
1 1 1 -22 31  24 o 13.705  6.6093  -45.0411   65.788   50.743     233.279  -53.3172   68.571   20.959  10.517  13.678  6.6335  7.281537       12.43445 
1 1 1 -22 31  25 f 25.721  9.7604  154.969    83.925   90.013     238.298  164.166    89.670   21.147  10.614  25.906  10.023  -4.759068      14.59893 
1 1 1 -22 31  26 o 17.618  7.9978  35.533     74.263   98.765     231.811  28.301     78.394   20.828  10.456  17.419  8.0231  3.408930       13.17939 
1 1 1 -22 31  27 o 20.967  8.8757  96.512     78.005   -61.7416   239.242  115.337    82.514   18.833  9.5778  22.058  9.2204  -3.224827      13.29473 
1 1 1 -22 32  1  o 14.281  6.8433  -52.1029   67.924   -31.2685   164.659  -56.3753   74.564   20.809  10.135  14.814  7.1178  5.995009       12.38444 
1 1 1 -22 32  2  o 14.629  6.9714  -43.8535   68.429   -195.7819  177.666  -17.3897   74.150   18.461  9.2516  16.296  7.6070  2.164864       11.97739 
1 1 1 -22 32  3  o 21.192  9.0243  66.131     81.455   211.463    205.660  39.091     88.710   26.623  12.505  19.899  8.9120  6.724611       15.35585 
1 1 1 -22 32  4  o 27.583  9.5192  145.529    77.365   0.0000     0.0000   145.529    77.365   ?       ?       27.583  9.5192  0.000000       9.519180 
1 1 1 -22 32  5  o 12.117  5.9016  -68.4838   55.840   0.0000     0.0000   -68.4838   55.840   ?       ?       12.117  5.9016  0.000000       5.901607 
1 1 1 -22 32  6  o 28.434  9.0078  149.139    69.698   76.674     132.341  176.954    81.991   22.304  10.326  29.901  9.7966  -7.596972      14.23402 
1 1 1 -22 32  7  o 17.659  7.4114  36.645     53.642   6.1459     80.623   60.871     71.854   17.550  8.1023  20.239  8.5404  -2.688854      11.77225 
1 1 1 -22 32  8  o 22.414  8.1634  87.120     57.577   11.125     86.809   146.809    76.933   18.052  8.3598  27.161  9.4858  -9.108829      12.64384 
1 1 1 -22 32  9  o 17.103  7.3658  30.017     55.393   65.465     85.290   4.1573     72.848   20.592  9.0009  16.766  7.7267  3.825666       11.86244 
1 1 1 -22 32  10 o 19.199  7.8177  55.894     57.273   141.227    89.873   -2.4572    74.318   25.355  9.9704  16.478  7.6663  8.877663       12.57699 
1 1 1 -22 32  11 o 15.653  6.8901  16.989     50.752   -0.4566    80.217   28.634     65.536   16.869  7.8869  17.454  7.7485  -0.5849762     11.05635 
1 1 1 -22 32  12 o 20.110  8.2264  68.304     63.784   30.714     85.751   114.860    95.431   18.425  8.4512  22.960  9.7723  -4.534313      12.91978 
1 1 1 -22 32  13 o 17.742  7.7290  38.362     62.420   48.395     83.610   25.729     93.819   19.093  8.5936  18.416  8.5833  0.6774044      12.14592 
1 1 1 -22 32  14 o 33.465  8.5791  206.678    69.988   183.368    96.903   232.098    101.193  27.103  10.438  30.399  10.855  -3.296078      15.05956 
1 1 1 -22 32  15 o 26.960  8.9890  147.679    68.920   221.705    92.435   55.005     103.424  30.682  10.410  19.653  9.1094  11.02913       13.83275 
1 1 1 -22 32  16 o 18.789  8.6845  41.085     93.040   53.171     100.873  -27.7913   240.809  19.473  9.0154  20.092  10.155  -0.6191177     13.57929 
1 1 1 -22 32  17 o 32.164  11.506  285.262    113.747  252.447    120.758  543.525    338.777  28.858  11.490  24.829  12.487  4.028305       16.96917 
1 1 1 -22 32  18 o 34.301  11.512  310.621    113.042  288.354    117.850  566.982    399.870  31.692  11.658  ?       ?       0.000000       11.65837 
1 1 1 -22 32  19 o 16.526  7.2840  27.248     56.901   19.976     82.936   33.716     78.212   17.490  8.1245  17.931  8.1661  -0.4409676     11.51923 
1 1 1 -22 32  20 o 18.350  7.7278  50.747     58.643   83.383     87.815   24.478     78.785   20.786  9.1083  17.540  8.0654  3.246958       12.16607 
1 1 1 -22 32  21 o 26.796  8.7035  141.702    64.767   150.353    94.358   133.995    89.060   24.709  10.045  23.908  9.7434  0.8012886      13.99400 
1 1 1 -22 32  22 o 23.759  9.4108  126.507    80.611   63.141     242.442  134.384    85.474   20.930  10.531  24.049  9.6362  -3.118469      14.27436 
1 1 1 -22 32  23 f 22.568  9.1098  110.688    77.007   -62.1567   227.682  133.015    81.830   19.317  9.7735  24.004  9.4899  -4.686638      13.62279 
1 1 1 -22 32  24 o 26.740  10.382  191.291    96.466   712.811    248.444  98.709     104.679  30.847  14.235  20.934  9.5001  9.913591       17.11377 
1 1 1 -22 32  25 o 17.283  8.0191  29.071     80.447   230.829    247.124  5.1554     85.082   21.697  10.879  16.511  7.8411  5.186592       13.41036 
1 1 1 -22 32  26 o 19.991  8.7267  87.809     79.934   210.811    257.117  74.648     84.102   20.764  10.494  19.217  8.6370  1.547192       13.59159 
1 1 1 -22 33  1  o 39.122  10.112  295.476    96.683   523.055    197.919  224.148    110.803  37.439  14.772  30.674  11.301  6.764772       18.59951 
1 1 1 -22 33  2  o 45.988  6.8429  323.434    74.030   275.195    103.532  373.903    105.898  35.781  10.924  44.389  10.064  -8.608337      14.85322 
1 1 1 -22 33  3  o 34.916  10.971  267.780    103.582  0.0000     0.0000   267.780    103.582  ?       ?       34.916  10.971  0.000000       10.97136 
1 1 1 -22 33  4  o 18.654  8.3689  33.468     78.579   0.0000     0.0000   33.468     78.579   ?       ?       18.654  8.3689  0.000000       8.368891 
1 1 1 -22 33  5  o 15.142  7.1398  -22.7116   68.199   -82.2155   235.977  -17.2887   71.239   20.608  10.371  15.641  7.3510  4.966243       12.71215 
1 1 1 -22 33  6  o 12.883  6.1045  -31.0186   51.018   -18.3643   81.838   -39.0623   65.248   16.350  7.7430  14.131  6.7542  2.219782       10.27493 
1 1 1 -22 33  7  o 20.688  8.1775  73.372     60.753   125.785    93.216   34.669     80.102   23.945  9.8867  18.525  8.3677  5.419928       12.95243 
1 1 1 -22 33  8  o 13.309  6.3309  -32.7001   55.909   122.288    86.937   -142.0068  73.009   23.776  9.6506  11.861  5.9424  11.91461       11.33343 
1 1 1 -22 33  9  o 12.655  6.0312  -33.9707   51.228   -101.4598  82.865   7.7781     65.174   13.683  6.7671  16.099  7.3781  -2.415743      10.01147 
1 1 1 -22 33  10 o 18.058  8.0046  39.433     69.678   13.053     94.729   70.531     102.850  17.892  8.4298  20.408  9.3213  -2.516006      12.56770 
1 1 1 -22 33  11 o 25.051  8.8447  127.227    67.002   158.333    93.427   94.287     96.142   25.409  10.110  21.372  9.4415  4.036934       13.83313 
1 1 1 -22 33  12 o 15.447  7.0861  5.8711     60.318   46.214     87.000   -31.4702   83.701   18.803  8.5824  15.571  7.4961  3.232490       11.39512 
1 1 1 -22 33  13 o 41.367  7.8508  295.966    75.918   274.936    106.062  318.062    108.715  32.467  11.149  35.596  11.247  -3.129780      15.83666 
1 1 1 -22 33  14 o 16.849  7.9179  7.9387     82.612   -38.8767   88.031   353.446    239.149  15.532  7.5289  24.608  12.034  -9.076425      14.19540 
1 1 1 -22 33  15 o 15.372  7.5166  -55.2184   93.197   32.691     101.484  -528.5301  235.479  18.482  8.7129  ?       ?       0.000000       8.712877 
1 1 1 -22 33  16 o 22.080  9.8938  120.936    109.467  25.566     119.264  630.910    275.790  18.706  8.9914  27.558  13.350  -8.852335      16.09596 
1 1 1 -22 33  17 o 30.889  11.569  282.125    117.034  249.398    129.137  432.579    276.888  27.337  11.488  24.597  12.201  2.739948       16.75808 
1 1 1 -22 33  18 o 14.145  6.6873  -19.2425   60.553   -157.3583  82.554   141.603    89.088   12.268  6.1689  24.143  9.7798  -11.87483      11.56289 
1 1 1 -22 33  19 o 41.064  8.0135  296.117    76.979   294.507    101.314  298.316    118.402  35.041  10.825  31.953  11.696  3.087503       15.93642 
1 1 1 -22 33  20 o 11.483  5.6425  -70.6926   54.524   45.337     72.024   -226.4416  83.446   18.181  8.0945  11.206  5.6950  6.974445       9.897137 
1 1 1 -22 33  21 o 20.361  8.8648  82.223     82.004   262.495    236.415  57.568     87.432   22.934  11.358  19.078  8.6672  3.856319       14.28709 
1 1 1 -22 33  22 o 15.421  7.2634  -4.2844    70.235   224.531    221.407  -29.8863   74.060   22.284  11.028  14.694  7.0683  7.590322       13.09878 
1 1 1 -22 33  23 o 10.499  5.1929  -75.0781   48.828   -450.4953  227.818  -57.0019   49.990   ?       ?       11.268  5.5088  0.000000       5.508846 
1 1 1 -22 33  24 o 12.930  6.2776  -44.2109   61.856   -63.2701   217.981  -42.5417   64.508   18.135  9.2147  13.229  6.4202  4.905388       11.23072 
1 1 1 -22 34  1  o 15.504  7.0022  7.1525     56.067   0.2865     82.221   13.120     76.654   17.090  7.9888  17.328  7.9635  -0.2375851     11.27995 
1 1 1 -22 34  2  o 27.613  10.297  175.368    92.516   0.0000     0.0000   175.368    92.516   ?       ?       27.613  10.297  0.000000       10.29675 
1 1 1 -22 34  3  o 13.778  6.7799  -89.4025   79.641   0.0000     0.0000   -89.4025   79.641   ?       ?       13.778  6.7799  0.000000       6.779906 
1 1 1 -22 34  4  o 30.042  10.895  224.074    102.401  0.0000     0.0000   224.074    102.401  ?       ?       30.042  10.895  0.000000       10.89514 
1 1 1 -22 34  5  o 25.660  9.1427  135.438    71.750   136.783    127.589  134.816    86.771   23.158  10.501  24.462  9.7402  -1.304836      14.32298 
1 1 1 -22 34  6  o 14.948  6.8744  -0.3245    57.248   39.691     89.759   -27.7649   74.329   18.767  8.6221  15.133  7.2265  3.634047       11.25001 
1 1 1 -22 34  7  o 15.907  7.0989  18.561     55.757   -13.4807   87.925   40.111     72.109   16.495  7.8723  18.087  8.0725  -1.591908      11.27559 
1 1 1 -22 34  8  o 28.046  9.3740  168.055    74.945   91.640     101.909  258.062    110.601  21.046  9.4786  30.500  11.281  -9.453722      14.73443 
1 1 1 -22 34  9  o 16.969  7.7116  24.962     69.288   27.407     94.093   22.066     102.409  18.103  8.4888  18.185  8.6264  -0.8203888E-01 12.10270 
1 1 1 -22 34  10 f 15.037  7.0459  -6.6080    64.623   -46.1536   84.823   48.098     99.766   15.056  7.3195  18.969  8.8445  -3.913075      11.48040 
1 1 1 -22 34  11 o 25.601  9.1214  142.554    71.416   193.411    93.907   72.795     109.982  27.306  10.334  19.953  9.2976  7.352730       13.90061 
1 1 1 -22 34  12 o 16.287  7.3493  22.587     61.600   -1.2934    82.186   53.200     93.053   16.321  7.7380  18.915  8.7225  -2.593620      11.66012 
1 1 1 -22 34  13 o 33.415  11.404  307.540    110.937  334.521    122.092  179.813    265.649  33.211  11.916  21.470  10.830  11.74142       16.10251 
1 1 1 -22 34  14 o 17.529  8.2260  23.444     88.644   114.282    94.815   -606.9930  249.785  21.823  9.5160  ?       ?       0.000000       9.515963 
1 1 1 -22 34  15 o 31.534  11.387  285.872    111.674  192.848    122.782  731.328    268.681  24.540  10.761  29.188  13.883  -4.648218      17.56527 
1 1 1 -22 34  16 o 29.007  9.0451  175.168    70.554   197.092    97.855   151.432    101.821  26.976  10.461  23.656  10.082  3.319891       14.52888 
1 1 1 -22 34  17 o 33.173  8.8759  216.609    72.845   294.693    101.559  133.872    104.541  34.491  10.868  22.630  9.9265  11.86116       14.71882 
1 1 1 -22 34  18 o 27.815  8.9971  162.122    69.257   171.519    90.936   149.143    106.871  25.832  10.066  23.270  10.126  2.562073       14.27784 
1 1 1 -22 34  19 o 28.131  10.552  213.719    97.447   466.020    193.958  128.530    112.704  29.033  13.076  21.958  9.9215  7.074612       16.41401 
1 1 1 -22 34  20 o 16.592  7.9354  -0.0374    90.331   -72.3705   186.430  22.154     103.262  18.016  9.0861  17.790  8.5015  0.2266483      12.44312 
1 1 1 -22 34  21 o 16.887  8.5118  -103.0068  162.267  -103.0068  162.267  0.0000     0.0000   16.887  8.5118  ?       ?       0.000000       8.511774 
1 1 1 -22 34  22 o 13.218  6.5469  -82.0212   78.668   -29.4377   191.175  -92.7402   86.314   18.057  9.1181  13.529  6.7275  4.528605       11.33137 
1 1 1 -22 34  23 o 24.640  10.082  186.930    95.824   209.101    227.318  182.138    105.672  20.305  10.214  23.402  10.126  -3.096895      14.38243 
1 1 1 -22 35  1  o 115.482 5.3220  1918.84    149.127  1834.39    291.859  1948.67    173.483  73.510  16.738  112.539 6.3794  -39.02937      17.91246 
1 1 1 -22 35  2  o 20.551  9.1514  79.041     92.110   0.0000     0.0000   79.041     92.110   ?       ?       20.551  9.1514  0.000000       9.151443 
1 1 1 -22 35  3  o 23.143  9.5634  123.180    87.320   0.0000     0.0000   123.180    87.320   ?       ?       23.143  9.5634  0.000000       9.563354 
1 1 1 -22 35  4  f 22.234  8.6632  100.442    67.347   12.627     99.464   174.784    91.517   17.773  8.4515  26.440  10.154  -8.666477      13.21110 
1 1 1 -22 35  5  f 15.451  7.0646  9.4288     59.274   58.107     86.349   -33.9499   81.513   19.154  8.6666  15.213  7.3416  3.941612       11.35821 
1 1 1 -22 35  6  o 22.840  9.0425  114.725    74.395   3.7605     97.833   266.862    114.555  17.257  8.2549  29.865  11.386  -12.60798      14.06388 
1 1 1 -22 35  7  o 18.146  8.0564  48.139     70.861   138.433    93.088   -76.2848   109.273  23.332  9.7764  15.650  7.7452  7.682423       12.47262 
1 1 1 -22 35  8  f 24.984  9.1846  140.460    73.126   134.844    98.205   147.449    109.555  22.750  9.8025  22.913  10.103  -0.1637611     14.07672 
1 1 1 -22 35  9  o 19.322  8.2586  68.801     68.678   17.281     90.122   140.162    106.065  17.239  8.1525  22.592  9.9518  -5.353065      12.86474 
1 1 1 -22 35  10 o 14.535  6.8969  -15.5972   65.559   -103.8102  86.016   106.675    101.269  13.481  6.7058  21.057  9.4694  -7.575704      11.60331 
1 1 1 -22 35  11 o 21.583  9.6238  119.109    102.234  149.817    112.202  -31.0463   248.108  22.690  10.102  19.194  9.7607  3.495312       14.04733 
1 1 1 -22 35  12 f 19.147  8.8118  64.562     94.304   63.957     101.903  68.170     248.882  19.194  8.9457  20.042  10.149  -0.8478279     13.52846 
1 1 1 -22 35  13 o 15.492  7.5076  -29.2668   87.400   -16.1699   93.681   -117.2190  242.769  16.220  7.8383  ?       ?       0.000000       7.838335 
1 1 1 -22 35  14 o 9.8622  4.9588  -120.1964  53.273   -196.5517  74.302   -39.4228   76.422   10.710  5.4360  14.470  7.0143  -3.759776      8.874141 
1 1 1 -22 35  15 o 25.634  8.9515  142.670    68.509   100.788    94.296   189.493    99.703   20.916  9.2897  25.883  10.395  -4.966425      13.94074 
1 1 1 -22 35  16 o 13.415  6.4266  -30.4468   59.795   22.430     82.829   -87.9934   86.409   17.123  8.0086  13.869  6.8682  3.253752       10.55037 
1 1 1 -22 35  17 o 25.742  9.0913  147.924    70.796   146.297    98.189   149.687    102.172  23.138  9.8819  23.105  9.9770  0.3308105E-01  14.04246 
1 1 1 -22 35  18 o 26.586  10.450  203.529    98.689   -24.5085   193.202  284.035    114.795  18.482  9.3121  29.887  11.397  -11.40535      14.71794 
1 1 1 -22 35  19 o 27.540  10.632  225.302    100.716  682.164    210.232  89.217     114.739  32.513  14.174  19.758  9.2996  12.75453       16.95218 
1 1 1 -22 35  20 o 21.128  10.509  227.849    211.179  227.849    211.179  0.0000     0.0000   21.128  10.509  ?       ?       0.000000       10.50923 
1 1 1 -22 35  21 o 21.029  9.2766  124.271    92.486   154.196    189.452  114.908    105.971  19.853  9.8879  20.139  9.2945  -0.2856388     13.57054 
1 1 1 -22 36  1  o 25.624  10.233  176.233    96.034   0.0000     0.0000   176.233    96.034   ?       ?       25.624  10.233  0.000000       10.23294 
1 1 1 -22 36  2  o 22.257  9.5427  121.919    92.212   0.0000     0.0000   121.919    92.212   ?       ?       22.257  9.5427  0.000000       9.542696 
1 1 1 -22 36  3  o 19.202  8.6727  65.543     86.028   0.0000     0.0000   65.543     86.028   ?       ?       19.202  8.6727  0.000000       8.672735 
1 1 1 -22 36  4  o 14.818  7.2129  -42.9101   83.093   -32.1250   86.228   -183.2204  311.013  15.339  7.4392  ?       ?       0.000000       7.439206 
1 1 1 -22 36  5  o 13.775  6.4888  -13.6051   56.084   -2.7407    84.624   -22.1145   74.893   16.171  7.7193  14.910  7.1558  1.261424       10.52579 
1 1 1 -22 36  6  o 22.677  8.8134  114.848    69.566   275.434    104.159  -14.4658   93.469   31.288  11.030  16.172  7.8186  15.11670       13.51988 
1 1 1 -22 36  7  o 24.447  9.1824  140.054    73.835   182.608    100.130  89.339     109.310  24.985  10.274  19.984  9.2977  5.000891       13.85626 
1 1 1 -22 36  8  o 19.270  8.3137  71.908     70.821   116.498    95.470   17.343     105.609  21.373  9.4269  17.505  8.4253  3.868921       12.64330 
1 1 1 -22 36  9  o 21.962  9.8756  140.010    110.118  33.903     122.200  598.416    253.995  18.301  8.8711  26.155  12.704  -7.854319      15.49474 
1 1 1 -22 36  10 o 21.952  9.8621  139.477    109.519  90.797     121.480  350.795    253.104  19.905  9.4285  22.571  11.271  -2.666149      14.69488 
1 1 1 -22 36  11 o 20.811  9.5169  111.701    107.633  194.054    119.184  -252.4323  250.617  23.984  10.558  ?       ?       0.000000       10.55773 
1 1 1 -22 36  12 o 15.442  7.1944  7.1399     65.804   28.451     84.854   -25.0150   104.230  17.254  8.0814  16.292  7.9625  0.9627113      11.34507 
1 1 1 -22 36  13 o 20.215  8.5045  85.303     70.904   80.549     92.767   91.981     109.959  19.675  8.9344  20.069  9.3333  -0.3943691     12.92026 
1 1 1 -22 36  14 o 17.182  7.7129  39.033     66.850   152.695    85.936   -135.1545  106.384  24.216  9.6767  14.117  7.0864  10.09851       11.99395 
1 1 1 -22 36  15 o 19.052  8.1023  68.859     65.501   70.123     88.702   67.343     97.135   19.112  8.7010  19.029  8.8230  0.8323288E-01  12.39165 
1 1 1 -22 36  16 o 25.492  10.288  192.480    98.182   244.104    199.443  175.968    112.796  21.988  10.802  23.293  10.261  -1.304844      14.89872 
1 1 1 -22 36  17 o 21.971  9.5131  133.611    93.406   -71.5282   185.873  202.918    108.039  17.437  8.8230  24.817  10.472  -7.380127      13.69351 
1 1 1 -22 36  18 o 17.342  8.1407  40.067     86.931   -95.9837   186.742  77.706     98.222   16.980  8.6180  18.930  8.8093  -1.950426      12.32375 
1 1 1 -22 36  19 o 18.436  8.5224  72.137     89.624   246.409    194.899  25.403     100.928  20.948  10.363  16.911  8.1633  4.036604       13.19218 
1 1 1 -22 36  20 o 18.116  8.4324  72.597     90.077   268.088    198.487  21.892     101.087  20.600  10.237  16.526  8.0239  4.074471       13.00708 
1 1 1 -22 37  1  o 18.417  8.4258  56.324     84.495   0.0000     0.0000   56.324     84.495   ?       ?       18.417  8.4258  0.000000       8.425761 
1 1 1 -22 37  2  o 19.096  8.6223  71.236     84.952   0.0000     0.0000   71.236     84.952   ?       ?       19.096  8.6223  0.000000       8.622263 
1 1 1 -22 37  3  o 19.135  8.1181  71.362     65.488   56.090     94.860   85.269     90.520   18.442  8.6073  19.708  8.8992  -1.265596      12.38070 
1 1 1 -22 37  4  o 15.955  7.2687  23.319     62.039   13.682     94.356   30.657     82.340   16.876  8.0815  17.110  7.9969  -0.2340317     11.36933 
1 1 1 -22 37  5  o 13.400  6.4199  -26.0640   59.706   -28.4293   93.040   -24.4080   77.850   15.536  7.5779  14.817  7.1565  0.7196741      10.42306 
1 1 1 -22 37  6  o 21.583  9.3872  123.985    91.766   167.963    98.419   -168.7368  253.914  23.730  10.003  ?       ?       0.000000       10.00330 
1 1 1 -22 37  7  f 17.296  8.2296  27.847     94.594   50.132     102.525  -99.7089   245.286  18.217  8.6384  ?       ?       0.000000       8.638388 
1 1 1 -22 37  8  o 17.272  8.2311  26.589     95.384   -6.4381    103.445  214.059    246.455  16.535  8.0486  20.685  10.434  -4.150335      13.17751 
1 1 1 -22 37  9  o 16.415  7.8985  2.8854     92.626   47.644     100.200  -260.0251  242.849  18.102  8.5713  ?       ?       0.000000       8.571296 
1 1 1 -22 37  10 o 12.992  6.3326  -49.0968   64.661   -31.0823   84.803   -74.1153   99.939   15.015  7.3037  14.777  7.3297  0.2378588      10.34741 
1 1 1 -22 37  11 o 29.742  9.4966  204.530    77.350   144.201    103.087  282.255    117.010  22.184  9.7896  28.743  11.353  -6.558653      14.99084 
1 1 1 -22 37  12 o 17.230  7.7562  42.296     68.139   44.210     87.932   39.419     107.802  17.783  8.2954  17.990  8.6211  -0.2075138     11.96401 
1 1 1 -22 37  13 o 21.499  8.8442  109.412    74.242   173.476    99.823   30.113     111.061  23.890  10.073  17.729  8.5594  6.161093       13.21838 
1 1 1 -22 37  14 o 19.042  8.9254  77.054     103.839  -29.0293   202.938  114.679    120.858  18.025  9.1312  20.198  9.5178  -2.172775      13.18965 
1 1 1 -22 37  15 o 17.311  8.3141  30.559     101.502  -113.5702  202.337  79.026     117.333  ?       ?       18.932  9.0515  0.000000       9.051458 
1 1 1 -22 37  16 o 16.376  7.9049  11.175     94.643   77.230     177.651  -15.0020   111.835  18.694  9.3510  16.228  7.9947  2.465691       12.30272 
1 1 1 -22 37  17 o 16.155  7.7199  19.413     85.124   11.404     186.511  21.520     95.670   17.610  8.9035  16.514  7.9656  1.095993       11.94668 
1 1 1 -22 37  18 o 25.030  10.312  224.188    101.116  201.975    210.420  230.857    115.302  19.272  9.7112  23.651  10.398  -4.379229      14.22800 
1 1 1 -22 38  1  o 14.206  6.9698  -49.7137   82.196   0.0000     0.0000   -49.7137   82.196   ?       ?       14.206  6.9698  0.000000       6.969798 
1 1 1 -22 38  2  o 15.558  7.1903  17.440     63.749   71.468     92.905   -30.6328   87.635   18.732  8.6653  15.039  7.3394  3.693355       11.35580 
1 1 1 -22 38  3  o 25.988  8.9535  155.940    68.429   240.338    102.353  87.729     92.016   27.577  10.698  19.426  8.8509  8.150978       13.88471 
1 1 1 -22 38  4  f 16.495  8.0090  2.6673     100.698  -50.4726   105.766  517.640    329.251  15.391  7.6177  ?       ?       0.000000       7.617725 
1 1 1 -22 38  5  o 22.070  9.7454  150.295    102.314  144.671    107.262  207.067    340.783  21.554  9.7142  ?       ?       0.000000       9.714220 
1 1 1 -22 38  6  o 16.021  7.7510  -3.4147    92.238   14.090     98.377   -130.6798  265.259  16.756  8.0811  ?       ?       0.000000       8.081121 
1 1 1 -22 38  7  o 12.980  6.5279  -136.6818  92.663   -115.5583  99.527   -274.1741  253.921  13.790  6.9127  ?       ?       0.000000       6.912729 
1 1 1 -22 38  8  o 12.184  5.9984  -65.9810   62.619   -130.4251  93.692   -13.9546   84.182   13.172  6.6172  15.362  7.4256  -2.190027      9.946195 
1 1 1 -22 38  9  o 23.974  9.2358  145.139    75.877   143.936    103.606  146.531    111.434  21.767  9.6984  21.534  9.7838  0.2333050      13.77617 
1 1 1 -22 38  10 o 23.276  9.1433  136.773    75.508   148.363    101.945  122.688    112.387  22.027  9.7270  20.505  9.5013  1.522745       13.59739 
1 1 1 -22 38  11 o 17.697  8.1059  52.197     78.516   46.172     115.722  57.336     106.881  17.975  8.6929  18.208  8.6871  -0.2332039     12.28949 
1 1 1 -22 38  12 o 31.388  11.518  331.540    114.923  711.793    209.138  167.051    137.552  31.376  13.890  21.032  9.9828  10.34462       17.10508 
1 1 1 -22 38  13 o 14.500  7.1888  -61.2067   95.644   -453.8278  190.999  70.197     110.496  ?       ?       18.369  8.7827  0.000000       8.782692 
1 1 1 -22 38  14 o 19.508  9.1031  109.185    106.036  79.280     208.257  119.651    123.201  18.418  9.3215  19.523  9.3178  -1.105793      13.17997 
1 1 1 -22 38  15 o 16.270  7.9069  17.100     98.779   86.853     186.505  -10.0944   116.453  18.196  9.1659  16.058  7.9561  2.138060       12.13721 
1 1 1 -22 38  16 o 12.537  6.3298  -134.5248  91.931   -94.8113   188.293  -146.9543  105.339  ?       ?       13.101  6.6305  0.000000       6.630461 
1 1 1 -22 39  1  o ?       ?       -309.5832  307.696  0.0000     0.0000   -309.5832  307.696  ?       ?       ?       ?       0.000000       ?        
1 1 1 -22 39  2  o 22.073  9.8936  167.607    109.549  221.691    115.873  -287.6420  336.181  24.158  10.527  ?       ?       0.000000       10.52740 
1 1 1 -22 39  3  o 16.089  7.7840  4.2119     93.036   36.034     97.008   -360.7040  328.504  17.185  8.2203  ?       ?       0.000000       8.220273 
1 1 1 -22 39  4  o 16.856  8.1237  24.024     98.987   16.463     103.654  102.360    333.633  16.751  8.1313  ?       ?       0.000000       8.131309 
1 1 1 -22 39  5  o 14.136  6.9719  -55.0929   85.858   -49.6570   88.845   -131.8704  333.898  14.443  7.1173  ?       ?       0.000000       7.117254 
1 1 1 -22 39  6  o 14.784  6.8755  9.4205     59.676   -1.0102    91.541   17.129     78.696   15.911  7.7037  16.043  7.5962  -0.1324072     10.81892 
1 1 1 -22 39  7  o 11.557  5.7102  -70.4654   58.509   -70.4167   97.466   -70.4929   73.156   14.429  7.1708  12.873  6.3649  1.555845       9.588135 
1 1 1 -22 39  8  o 17.092  7.6981  47.343     67.227   32.539     103.030  58.319     88.715   17.182  8.2828  17.874  8.3360  -0.6917686     11.75136 
1 1 1 -22 39  9  o 24.399  9.1625  152.739    73.508   142.150    110.132  161.246    98.715   20.840  9.5656  22.367  9.7321  -1.526913      13.64602 
1 1 1 -22 39  10 o 15.537  7.6035  -14.4730   95.987   -71.9927   187.176  6.0513     111.808  16.793  8.5335  16.522  8.1105  0.2710400      11.77283 
1 1 1 -22 39  11 o 19.689  9.1684  118.108    106.669  386.529    185.978  -13.4847   130.217  23.379  11.235  16.416  8.1793  6.963369       13.89709 
1 1 1 -22 39  12 o 15.849  7.7229  6.0583     95.964   204.474    179.555  -73.2790   113.540  19.819  9.8298  14.753  7.3938  5.066095       12.30011 
1 1 1 -22 39  13 o 18.893  8.8980  109.357    105.364  316.747    206.649  36.502     122.481  20.421  10.196  16.869  8.3214  3.551733       13.16043 
1 1 1 -22 39  14 o 12.885  6.4798  -104.6651  91.242   -84.9989   172.666  -112.2842  107.472  ?       ?       13.572  6.8512  0.000000       6.851206 
1 1 1 -22 40  1  o 23.653  10.497  229.633    120.163  203.753    126.920  453.472    373.260  22.086  10.186  ?       ?       0.000000       10.18562 
1 1 1 -22 40  2  o 19.433  8.9850  104.405    99.690   79.963     104.207  368.134    342.299  18.465  8.7424  ?       ?       0.000000       8.742432 
1 1 1 -22 40  3  o 30.328  9.0686  210.528    71.897   193.121    105.911  225.404    97.914   23.236  10.095  26.206  10.374  -2.970129      14.47561 
1 1 1 -22 40  4  o 10.194  5.1167  -106.7361  55.434   -97.7615   86.636   -112.9578  72.134   13.091  6.5459  11.692  5.8645  1.399247       8.788709 
1 1 1 -22 40  5  o 18.368  8.0160  71.810     67.410   37.379     96.075   105.196    94.606   16.971  8.1342  19.544  8.9319  -2.573605      12.08076 
1 1 1 -22 40  6  o 14.310  6.7561  1.2695     61.423   80.222     94.153   -57.2284   81.044   18.442  8.5964  13.609  6.7234  4.832570       10.91338 
1 1 1 -22 40  7  o 13.745  6.5801  -12.6264   62.460   -25.2956   100.780  -4.7250    79.589   15.291  7.5436  14.995  7.2409  0.2958107      10.45644 
1 1 1 -22 40  8  o 10.731  5.4172  -135.1731  67.246   -142.7217  259.731  -134.6308  69.620   ?       ?       10.956  5.5289  0.000000       5.528868 
1 1 1 -22 40  9  o 27.623  10.860  281.954    106.596  572.828    273.805  229.993    115.726  21.373  10.804  23.313  10.326  -1.940426      14.94514 
1 1 1 -22 40  10 o 12.377  6.1804  -85.5116   76.079   167.685    228.520  -117.0728  80.681   ?       ?       12.062  6.0699  0.000000       6.069863 
1 1 1 -22 40  11 o 16.712  8.0638  51.229     98.233   171.533    184.656  3.7448     116.010  18.447  9.2697  15.814  7.8531  2.633117       12.14900 
1 1 1 -22 40  12 o 16.251  7.9180  42.633     100.813  186.720    200.187  -6.3244    116.690  18.079  9.1491  15.418  7.6920  2.661085       11.95293 
1 1 1 -22 41  1  o 14.528  6.9050  2.4426     66.239   -9.7544    88.457   18.013     99.944   15.134  7.3835  16.253  7.9114  -1.118578      10.82155 
1 1 1 -22 41  2  o 18.102  8.0676  72.855     71.747   25.631     92.448   144.376    113.771  16.283  7.8483  20.096  9.3950  -3.813705      12.24183 
1 1 1 -22 41  3  o 17.018  7.6204  54.362     64.830   100.729    86.280   -5.7600    98.248   19.186  8.6736  15.526  7.6180  3.659059       11.54405 
1 1 1 -22 41  4  o 21.344  8.5856  118.704    68.139   93.433     102.218  138.915    91.412   18.448  8.7115  20.803  9.1973  -2.354433      12.66809 
1 1 1 -22 41  5  o 14.480  7.0282  -10.5238   77.367   108.766    260.555  -22.0582   81.021   ?       ?       14.308  6.9988  0.000000       6.998787 
1 1 1 -22 41  6  o 18.566  8.4810  93.650     85.173   15.124     249.148  104.041    90.633   ?       ?       18.883  8.6713  0.000000       8.671290 
1 1 1 -22 41  7  o 13.561  6.6612  -33.7012   75.809   12.908     243.571  -38.7006   79.771   ?       ?       13.642  6.7269  0.000000       6.726878 
1 1 1 -22 41  8  o 16.030  7.5986  40.709     79.180   -176.7104  250.475  64.848     83.460   ?       ?       17.007  7.9811  0.000000       7.981122 
1 1 1 -22 41  9  o 16.671  7.9037  61.485     85.739   80.859     278.373  59.455     90.120   ?       ?       16.595  7.9338  0.000000       7.933778 
1 1 1 -22 41  10 o 17.294  8.1062  83.934     85.663   -33.0751   262.891  97.833     90.608   ?       ?       17.726  8.3178  0.000000       8.317813 
1 1 1 -22 42  1  o 15.370  7.1597  28.803     65.139   72.193     85.774   -30.3139   100.120  17.489  8.1698  14.738  7.3149  2.750641       10.96604 
1 1 1 -22 42  2  o 15.323  7.1224  29.661     63.907   44.998     81.940   5.8456     102.108  16.334  7.7389  15.545  7.6546  0.7884712      10.88500 
1 1 1 -22 42  3  o 19.511  8.9664  133.081    97.159   -29.5317   179.463  200.505    115.559  ?       ?       21.103  9.7277  0.000000       9.727712 
1 1 1 -22 42  4  o 18.496  8.6505  111.423    96.625   100.321    238.748  113.597    105.666  ?       ?       18.315  8.7099  0.000000       8.709854 
1 1 1 -22 42  5  o 15.599  7.4083  35.897     75.973   -273.6291  241.247  69.973     80.046   ?       ?       17.011  7.9283  0.000000       7.928314 
1 1 1 -22 42  6  o 16.587  7.8391  64.342     83.083   23.486     249.309  69.447     88.121   ?       ?       16.744  7.9602  0.000000       7.960165 
1 1 1 -22 42  7  o 18.002  8.3938  109.235    89.865   205.086    258.478  96.055     95.844   ?       ?       17.337  8.2588  0.000000       8.258792 
1 1 1 -22 42  8  o 14.109  6.9385  -1.7438    83.013   252.955    274.391  -27.4046   87.094   ?       ?       13.623  6.7720  0.000000       6.772003 
1 1 1 -22 43  1  o 12.915  6.4491  -62.4555   82.848   26.939     153.556  -99.1623   98.398   16.018  8.0970  13.002  6.5625  3.016180       10.42250 
1 1 1 -22 43  2  o 15.159  7.3967  23.572     88.873   84.865     165.644  -1.2040    105.314  16.588  8.3874  14.896  7.4114  1.692057       11.19273 
1 1 1 -22 43  3  o 15.760  7.6459  48.073     91.274   -35.6044   171.452  81.167     107.823  ?       ?       16.620  8.1177  0.000000       8.117660 
1 1 1 -22 43  4  o 13.505  6.7137  -29.4323   85.690   46.669     165.398  -57.3530   100.183  15.806  8.0309  13.486  6.7834  2.319539       10.51232 
1 1 1 -22 43  5  o 12.456  6.2269  -56.7461   78.213   -317.4518  215.572  -17.2258   83.932   ?       ?       13.593  6.7380  0.000000       6.737989 
1 1 1 -22 44  1  o 15.495  7.5721  56.483     94.179   -91.1365   184.233  108.706    109.578  ?       ?       16.663  8.1481  0.000000       8.148105 
1 1 1 -22 44  2  o 14.576  7.1692  28.406     88.705   175.434    168.138  -28.2991   104.419  16.532  8.3683  13.717  6.9030  2.814869       10.84806 
1 1 1 -21 -47 26 o 12.367  5.8817  2.9794     48.206   0.0464     128.602  3.4589     51.997   14.390  7.2877  12.604  6.0258  1.786435       9.456243 
1 1 1 -21 -47 27 o 14.532  6.5570  39.576     49.024   44.761     120.658  38.551     53.653   15.074  7.5641  14.503  6.6641  0.5715294      10.08100 
1 1 1 -21 -47 28 o 13.108  6.1494  14.345     49.479   -96.9944   118.373  37.917     54.466   ?       ?       14.536  6.6923  0.000000       6.692254 
1 1 1 -21 -47 29 o 12.773  6.0024  9.2388     47.482   -162.0043  114.549  44.766     52.175   ?       ?       14.990  6.7637  0.000000       6.763670 
1 1 1 -21 -47 30 o 9.9676  4.9382  -52.6300   44.850   77.543     105.878  -81.0958   49.512   15.972  7.8511  9.6572  4.8459  6.314762       9.226144 
1 1 1 -21 -47 31 o 20.658  8.5789  143.755    70.770   145.350    175.068  143.444    77.374   16.419  8.3347  19.796  8.6150  -3.377104      11.98687 
1 1 1 -21 -47 32 o 16.851  7.6580  80.160     68.323   144.139    185.055  70.063     73.517   ?       ?       16.213  7.5705  0.000000       7.570479 
1 1 1 -21 -47 33 o 15.081  7.2335  41.497     76.278   183.158    182.092  11.349     84.004   16.803  8.5267  14.275  7.0122  2.528212       11.03975 
1 1 1 -21 -47 34 o 22.688  8.1451  137.557    57.048   372.635    128.355  79.687     63.684   23.966  10.728  17.048  7.5992  6.917637       13.14668 
1 1 1 -21 -47 35 o 15.553  6.8995  51.261     51.868   -54.2100   123.579  73.813     57.144   13.993  7.0927  16.970  7.3939  -2.976277      10.24580 
1 1 1 -21 -47 36 o 12.420  5.9242  -2.1336    49.652   -222.5069  115.204  48.140     55.025   ?       ?       15.314  6.9246  0.000000       6.924572 
1 1 1 -21 -47 37 f 15.188  6.8518  46.326     53.514   18.209     123.592  52.813     59.368   14.967  7.5290  15.544  7.0928  -0.5773258     10.34375 
1 1 1 -21 -47 38 o 21.944  8.1059  131.530    57.067   -48.8382   125.741  178.320    64.043   14.049  7.1243  25.185  8.6627  -11.13667      11.21596 
1 1 1 -21 -47 39 o 15.674  6.9407  54.409     52.261   68.270     125.890  51.523     57.445   15.684  7.8493  15.418  7.0127  0.2655191      10.52561 
1 1 1 -21 -47 40 o 18.502  7.6033  93.343     54.802   175.976    126.836  74.376     60.767   17.647  8.6580  16.667  7.4266  0.9804268      11.40686 
1 1 1 -21 -47 41 o 14.679  6.6883  40.783     52.549   75.891     122.971  32.940     58.124   15.669  7.8294  14.314  6.6992  1.355092       10.30430 
1 1 1 -21 -47 42 o 13.440  6.3111  19.722     52.321   86.469     124.006  5.2663     57.710   15.740  7.8643  13.004  6.2517  2.735318       10.04644 
1 1 1 -21 -46 21 o 12.731  5.9104  12.377     43.796   47.505     124.767  7.4402     46.772   15.274  7.6682  12.627  5.9415  2.646644       9.700627 
1 1 1 -21 -46 22 o 17.622  7.1992  75.403     48.769   42.893     130.145  80.713     52.601   15.388  7.7387  17.781  7.3912  -2.393723      10.70131 
1 1 1 -21 -46 23 o 14.760  7.1028  29.877     74.955   -10.3983   121.841  54.401     95.075   14.659  7.3869  15.674  7.6483  -1.014936      10.63313 
1 1 1 -21 -46 24 o 18.049  8.3894  117.091    88.648   -248.3201  219.134  188.593    96.934   ?       ?       20.638  9.2745  0.000000       9.274468 
1 1 1 -21 -46 25 o 15.227  7.4238  32.028     89.020   250.767    210.640  -15.5349   98.222   ?       ?       14.280  7.1133  0.000000       7.113290 
1 1 1 -21 -46 26 o 15.441  7.6039  31.779     100.818  0.0042     198.952  42.758     116.945  ?       ?       15.802  7.8535  0.000000       7.853498 
1 1 1 -21 -46 27 o 13.609  6.3368  14.720     50.935   -67.1088   126.807  30.461     55.619   14.307  7.2444  14.655  6.7531  -0.3488426     9.903825 
1 1 1 -21 -46 28 o 12.275  5.8588  -9.4016    48.736   31.131     111.673  -18.9377   54.167   15.668  7.7678  12.293  5.9455  3.375263       9.782006 
1 1 1 -21 -46 29 f 11.706  5.6326  -19.2776   47.120   -23.7965   110.492  -18.2731   52.095   14.652  7.3358  12.178  5.8753  2.473261       9.398555 
1 1 1 -21 -46 30 o 21.480  8.2402  122.588    60.228   310.150    133.093  74.288     67.539   22.603  10.426  17.253  7.7483  5.349993       12.99021 
1 1 1 -21 -46 31 o 17.587  7.4013  71.314     53.729   117.038    125.890  61.130     59.412   17.594  8.6306  16.663  7.3885  0.9311619      11.36117 
1 1 1 -21 -46 32 o 18.615  8.4028  107.727    80.619   211.244    186.687  83.997     89.383   18.105  9.1259  17.291  8.1592  0.8140354      12.24151 
1 1 1 -21 -46 33 o 21.190  9.1410  160.588    85.598   430.268    194.621  95.910     95.311   20.871  10.331  17.624  8.3491  3.247011       13.28266 
1 1 1 -21 -46 34 o 15.887  7.5336  45.360     77.981   76.735     173.862  37.459     87.249   16.714  8.4657  15.710  7.5850  1.004437       11.36669 
1 1 1 -21 -46 35 o 14.238  6.5603  22.481     52.482   -50.9176   171.985  30.018     55.110   ?       ?       14.763  6.7726  0.000000       6.772624 
1 1 1 -21 -46 36 o 13.614  6.3739  10.935     52.696   157.577    116.555  -26.7393   59.078   18.932  9.0432  12.436  6.0599  6.495725       10.88586 
1 1 1 -21 -46 37 o 15.312  6.8887  39.980     53.657   -84.9609   123.155  69.253     59.612   14.126  7.1515  17.207  7.5231  -3.081216      10.37986 
1 1 1 -21 -46 38 o 16.117  7.0375  52.049     52.017   -17.3124   124.773  66.640     57.227   15.095  7.5897  17.071  7.4189  -1.976124      10.61335 
1 1 1 -21 -46 39 f 14.219  6.4289  26.365     47.410   -161.2796  114.286  65.369     52.105   ?       ?       17.119  7.2508  0.000000       7.250820 
1 1 1 -21 -46 40 o 17.076  7.1868  64.670     50.668   -61.4845   123.490  90.206     55.559   14.355  7.2567  18.962  7.7081  -4.607148      10.58658 
1 1 1 -21 -46 41 o 14.001  6.4018  23.242     48.679   147.102    122.843  0.1686     53.020   18.121  8.8094  13.000  6.1783  5.121968       10.75999 
1 1 1 -21 -46 42 o 13.219  6.2219  7.6004     51.380   26.174     121.562  3.5607     56.692   15.534  7.7650  13.325  6.3489  2.208256       10.03013 
1 1 1 -21 -46 43 o 15.691  7.0376  49.889     55.525   45.112     125.493  51.051     61.915   15.785  7.8907  15.740  7.2055  0.4503918E-01  10.68561 
1 1 1 -21 -46 44 f 20.402  7.9837  112.657    57.385   161.967    142.448  103.105    62.697   17.515  8.6988  18.966  7.9891  -1.450777      11.81081 
1 1 1 -21 -46 45 o 16.136  7.6302  67.177     78.924   91.924     200.634  62.647     85.845   ?       ?       15.913  7.6437  0.000000       7.643679 
1 1 1 -21 -45 18 o 11.891  5.7159  -13.5242   48.203   0.0000     0.0000   -13.5242   48.203   ?       ?       11.891  5.7159  0.000000       5.715894 
1 1 1 -21 -45 19 o 11.087  5.3865  -28.8547   45.756   0.0000     0.0000   -28.8547   45.756   ?       ?       11.087  5.3865  0.000000       5.386489 
1 1 1 -21 -45 20 o 18.328  7.2395  76.227     47.582   111.520    129.713  70.740     51.147   17.248  8.5183  17.557  7.2923  -0.3087978     11.21338 
1 1 1 -21 -45 21 o 16.810  6.9334  58.466     45.777   -3.9133    124.911  68.144     49.200   15.332  7.6937  17.552  7.2077  -2.220852      10.54250 
1 1 1 -21 -45 22 o 22.053  7.9304  116.551    54.102   208.136    132.617  98.265     59.257   19.798  9.5072  19.582  7.9604  0.2161922      12.39981 
1 1 1 -21 -45 23 o 14.168  6.4516  22.180     48.799   -10.2221   125.926  27.906     52.936   15.453  7.7504  14.689  6.7006  0.7637682      10.24528 
1 1 1 -21 -45 24 o 20.306  7.6867  95.602     51.972   16.358     129.494  110.817    56.742   16.019  8.0088  21.257  8.0354  -5.237503      11.34495 
1 1 1 -21 -45 25 o 20.821  9.4836  177.037    105.543  305.252    218.368  137.956    120.560  19.147  9.6765  18.756  9.0214  0.3907433      13.22950 
1 1 1 -21 -45 26 o 15.119  7.4478  -4.0519    97.015   -94.0571   210.295  20.283     109.347  ?       ?       15.946  7.8652  0.000000       7.865157 
1 1 1 -21 -45 27 o 16.075  7.8378  30.236     99.287   -184.9430  211.789  90.849     112.405  ?       ?       17.749  8.5794  0.000000       8.579376 
1 1 1 -21 -45 28 o 11.336  5.5423  -42.3050   50.628   104.197    204.583  -51.8622   52.253   17.556  8.9212  11.171  5.4959  6.384876       10.47821 
1 1 1 -21 -45 29 o 16.045  7.1136  44.993     55.059   100.131    119.439  30.114     62.044   18.002  8.7363  15.318  7.0844  2.683686       11.24778 
1 1 1 -21 -45 30 o 14.861  6.6507  29.376     49.307   -38.7781   113.929  45.084     54.695   15.001  7.5014  16.064  7.1077  -1.063467      10.33391 
1 1 1 -21 -45 31 o 20.846  7.8137  99.609     53.410   167.531    119.957  82.815     59.649   19.989  9.4385  18.767  7.8417  1.222366       12.27102 
1 1 1 -21 -45 32 o 14.244  6.5399  17.786     51.524   -18.9014   115.046  26.991     57.626   15.417  7.6828  15.042  6.9100  0.3747911      10.33313 
1 1 1 -21 -45 33 f 18.324  8.1359  83.646     72.272   -87.8698   121.359  177.900    89.964   14.480  7.3063  22.755  9.5766  -8.274117      12.04543 
1 1 1 -21 -45 34 o 12.505  6.1690  -52.6791   67.375   -14.9532   163.575  -60.3871   73.938   16.301  8.2517  12.764  6.3265  3.537964       10.39785 
1 1 1 -21 -45 35 o 19.290  8.6345  108.631    83.144   -15.1137   180.768  141.833    93.636   16.470  8.3709  20.401  9.1453  -3.931677      12.39789 
1 1 1 -21 -45 36 o 13.241  6.2075  1.1701     50.275   -379.9165  172.152  36.702     52.567   ?       ?       15.480  6.9019  0.000000       6.901857 
1 1 1 -21 -45 37 o 16.713  7.0807  53.534     49.708   -16.6894   117.630  68.800     54.845   15.510  7.7356  17.856  7.4942  -2.345643      10.77039 
1 1 1 -21 -45 38 o 25.232  7.9876  140.102    54.812   23.300     129.001  165.835    60.550   16.403  8.1680  26.946  8.3756  -10.54231      11.69898 
1 1 1 -21 -45 39 o 15.597  6.9047  39.235     51.680   155.988    120.982  13.175     57.158   19.519  9.2929  14.256  6.6629  5.262847       11.43471 
1 1 1 -21 -45 40 o 18.509  7.5215  76.120     52.880   119.825    124.494  66.499     58.412   18.377  8.9187  17.501  7.5504  0.8764572      11.68552 
1 1 1 -21 -45 41 o 18.421  7.4962  75.445     52.619   -26.9488   120.093  99.773     58.537   15.275  7.6478  20.164  8.0091  -4.888786      11.07407 
1 1 1 -21 -45 42 o 18.025  7.5633  73.417     55.841   28.305     126.160  84.409     62.273   16.288  8.1053  18.562  7.8971  -2.273750      11.31634 
1 1 1 -21 -45 43 o 17.321  7.4292  65.325     55.927   256.895    132.862  24.071     61.655   21.617  10.121  14.852  6.9344  6.764926       12.26857 
1 1 1 -21 -45 44 o 14.521  6.6985  23.597     54.946   102.626    132.395  7.1527     60.393   17.519  8.6437  13.958  6.6221  3.561326       10.88884 
1 1 1 -21 -45 45 o 18.706  7.7061  85.259     56.463   70.725     137.887  88.187     61.890   16.771  8.3659  18.573  7.8865  -1.802017      11.49723 
1 1 1 -21 -45 46 o 14.004  6.8448  -8.4045    77.060   -13.2468   192.255  -7.4777    84.112   ?       ?       14.295  7.0207  0.000000       7.020655 
1 1 1 -21 -45 47 o 16.512  7.7771  65.996     80.508   210.775    203.427  39.109     87.665   17.585  8.9321  15.585  7.5443  1.999911       11.69184 
1 1 1 -21 -45 48 o 14.941  7.1770  29.426     75.700   -15.9478   199.738  37.037     81.802   ?       ?       15.293  7.3742  0.000000       7.374172 
1 1 1 -21 -44 15 o 10.180  4.9787  -38.6525   40.933   0.0000     0.0000   -38.6525   40.933   ?       ?       10.180  4.9787  0.000000       4.978661 
1 1 1 -21 -44 16 o 21.658  7.8520  112.670    53.180   0.0000     0.0000   112.670    53.180   ?       ?       21.658  7.8520  0.000000       7.852031 
1 1 1 -21 -44 17 o 15.901  7.0244  46.678     53.217   0.0000     0.0000   46.678     53.217   ?       ?       15.901  7.0244  0.000000       7.024440 
1 1 1 -21 -44 18 o 15.627  6.9366  41.182     52.506   0.0000     0.0000   41.182     52.506   ?       ?       15.627  6.9366  0.000000       6.936648 
1 1 1 -21 -44 19 o 19.572  7.4144  83.280     48.377   245.262    138.789  60.878     51.614   21.204  10.054  17.228  7.2523  3.975779       12.39644 
1 1 1 -21 -44 20 o 14.168  6.3078  22.875     43.740   15.164     119.585  24.066     46.996   16.174  8.0219  14.421  6.4706  1.753301       10.30629 
1 1 1 -21 -44 21 o 10.722  5.1982  -34.5555   42.000   -184.7006  116.121  -11.9575   45.049   ?       ?       12.144  5.7491  0.000000       5.749134 
1 1 1 -21 -44 22 o 9.1136  4.5486  -75.2673   40.984   -137.0671  113.118  -65.9291   43.971   13.584  6.8746  9.8139  4.8670  3.770132       8.423037 
1 1 1 -21 -44 23 o 14.106  6.4592  15.032     49.797   63.559     125.835  6.0210     54.224   17.472  8.5826  13.882  6.4886  3.590237       10.75930 
1 1 1 -21 -44 24 o 18.098  7.4944  68.226     53.786   165.122    124.074  45.803     59.685   20.228  9.5658  16.405  7.3314  3.822756       12.05219 
1 1 1 -21 -44 25 o 18.458  7.6332  72.864     55.692   84.908     130.339  70.175     61.598   18.047  8.8381  18.063  7.7732  -0.1556778E-01 11.77005 
1 1 1 -21 -44 26 o 16.872  8.1776  40.308     103.790  -189.5270  209.213  115.340    119.537  ?       ?       18.959  9.0833  0.000000       9.083291 
1 1 1 -21 -44 27 o 23.205  9.9873  196.445    101.705  133.372    219.307  213.728    114.797  18.430  9.3529  22.799  10.180  -4.368570      13.82399 
1 1 1 -21 -44 28 o 17.224  7.6925  57.187     65.597   -43.6456   164.106  76.361     71.563   16.375  8.2863  18.308  8.1140  -1.933443      11.59740 
1 1 1 -21 -44 29 o 12.209  5.8449  -21.5185   49.271   -53.0655   163.217  -18.3555   51.682   16.266  8.2347  12.582  6.0131  3.684256       10.19647 
1 1 1 -21 -44 30 o 14.407  6.5885  16.751     51.590   207.396    117.873  -28.4229   57.378   22.339  10.115  12.675  6.1274  9.663901       11.82615 
1 1 1 -21 -44 31 o 21.809  8.0702  108.056    56.616   167.352    124.268  92.525     63.600   20.513  9.6617  19.758  8.1630  0.7548065      12.64840 
1 1 1 -21 -44 32 o 11.901  5.6863  -21.4240   46.147   -120.9857  113.155  -1.5612    50.542   13.968  7.0485  13.311  6.2353  0.6565208      9.410656 
1 1 1 -21 -44 33 o 10.716  5.2654  -54.0649   47.471   -119.2436  116.636  -41.1247   51.970   14.147  7.1412  11.690  5.6935  2.457380       9.133016 
1 1 1 -21 -44 34 o 17.394  7.8905  59.327     72.118   70.199     118.800  52.982     90.754   17.852  8.6750  17.219  8.1544  0.6328583      11.90582 
1 1 1 -21 -44 35 o 15.561  7.3141  21.881     70.549   272.079    174.916  -26.7276   77.098   21.145  10.330  14.117  6.8886  7.027594       12.41659 
1 1 1 -21 -44 36 o 15.059  7.0525  16.083     64.589   251.843    160.358  -29.5711   70.567   21.310  10.287  13.634  6.6389  7.676270       12.24358 
1 1 1 -21 -44 37 f 10.355  5.1237  -65.6484   47.705   213.944    173.930  -88.3925   49.607   20.095  9.9132  9.9185  4.9585  10.17636       11.08409 
1 1 1 -21 -44 38 o 15.214  6.7781  29.807     50.598   -19.5588   117.533  41.038     56.058   15.848  7.8759  16.143  7.1665  -0.2951155     10.64842 
1 1 1 -21 -44 39 o 15.317  6.8210  31.072     51.172   85.242     117.804  18.473     56.812   18.235  8.8064  14.798  6.8212  3.436191       11.13914 
1 1 1 -21 -44 40 o 14.762  6.6800  22.728     51.319   50.331     118.674  16.378     56.916   17.332  8.4762  14.680  6.7880  2.651320       10.85924 
1 1 1 -21 -44 41 o 19.383  7.7700  82.767     55.601   82.847     131.518  82.749     61.353   18.063  8.8527  19.065  7.9585  -1.002460      11.90416 
1 1 1 -21 -44 42 o 13.665  6.3428  5.9280     50.396   11.506     128.215  4.9087     54.807   16.562  8.2298  13.917  6.5107  2.644971       10.49377 
1 1 1 -21 -44 43 o 18.421  7.6492  73.070     56.252   -115.6911  133.895  113.528    61.988   14.727  7.4557  21.561  8.3362  -6.834126      11.18388 
1 1 1 -21 -44 44 o 20.652  8.1153  101.732    59.503   285.162    136.985  59.073     66.061   23.340  10.697  17.195  7.6966  6.145496       13.17787 
1 1 1 -21 -44 45 o 18.931  7.8219  82.132     58.401   97.640     137.139  78.696     64.547   18.042  8.8814  18.399  7.9375  -0.3578892     11.91144 
1 1 1 -21 -44 46 o 21.396  8.2007  112.054    59.619   -80.0049   200.811  130.620    62.435   ?       ?       22.818  8.4686  0.000000       8.468611 
1 1 1 -21 -44 47 o 18.628  8.4900  99.234     84.756   26.375     182.139  119.371    95.755   16.773  8.5131  19.126  8.8298  -2.352365      12.26532 
1 1 1 -21 -44 48 o 16.106  7.5779  44.392     76.077   -55.8928   135.400  90.659     91.967   15.097  7.6288  17.885  8.3886  -2.788822      11.33874 
1 1 1 -21 -44 49 o 16.063  7.1525  49.355     56.259   -116.0559  145.139  78.602     61.030   ?       ?       17.968  7.7350  0.000000       7.734977 
1 1 1 -21 -43 13 o 15.128  6.9187  33.153     56.903   0.0000     0.0000   33.153     56.903   ?       ?       15.128  6.9187  0.000000       6.918750 
1 1 1 -21 -43 14 o 15.352  7.0256  33.549     58.799   0.0000     0.0000   33.549     58.799   ?       ?       15.352  7.0256  0.000000       7.025605 
1 1 1 -21 -43 15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -43 16 o 14.381  6.5171  20.378     49.046   0.0000     0.0000   20.378     49.046   ?       ?       14.381  6.5171  0.000000       6.517127 
1 1 1 -21 -43 17 o 20.215  7.7039  89.187     52.426   -59.3857   138.438  114.062    56.645   15.632  7.8771  22.346  8.1035  -6.713945      11.30108 
1 1 1 -21 -43 18 o 19.613  7.4437  79.661     48.817   216.456    140.329  60.827     52.070   21.325  10.111  17.634  7.3439  3.691071       12.49633 
1 1 1 -21 -43 19 o 15.472  6.6125  35.654     44.023   25.401     119.064  37.278     47.380   16.885  8.3050  15.707  6.7882  1.178123       10.72626 
1 1 1 -21 -43 20 o 12.257  5.7382  -8.5250    42.707   -63.5144   116.988  -0.0700    45.873   15.150  7.5797  13.061  6.0585  2.088725       9.703493 
1 1 1 -21 -43 21 o 18.611  7.4449  69.555     50.927   288.855    126.619  27.232     55.624   25.632  11.087  15.374  6.9561  10.25814       13.08871 
1 1 1 -21 -43 22 o 10.253  5.0419  -55.5850   43.801   -151.2121  118.950  -40.5849   47.111   13.945  7.0567  11.245  5.4638  2.700956       8.924660 
1 1 1 -21 -43 23 o 11.091  5.3951  -41.9996   46.259   76.336     114.707  -64.9829   50.552   18.308  8.8044  10.779  5.3224  7.529149       10.28811 
1 1 1 -21 -43 24 o 15.246  6.8166  27.398     51.663   -134.7685  125.997  60.172     56.643   14.488  7.3243  17.714  7.5338  -3.225974      10.50731 
1 1 1 -21 -43 25 o 15.654  6.9765  32.220     53.649   73.521     126.789  23.212     59.211   18.253  8.8904  15.340  7.0312  2.912287       11.33472 
1 1 1 -21 -43 26 o ?       ?       -258.8405  39.219   -249.7721  112.291  -260.1004  41.854   ?       ?       ?       ?       0.000000       ?        
1 1 1 -21 -43 27 f 13.661  6.5593  -17.8595   63.083   -69.4637   162.753  -8.7360    68.433   16.358  8.2748  14.368  6.8810  1.989309       10.76198 
1 1 1 -21 -43 28 o 14.800  7.0750  -1.9608    71.618   0.0000     0.0000   -1.9608    71.618   ?       ?       14.800  7.0750  0.000000       7.074955 
1 1 1 -21 -43 29 o 19.428  8.4300  90.476     73.658   49.820     168.305  100.108    81.920   17.934  8.9902  19.712  8.7112  -1.777485      12.51831 
1 1 1 -21 -43 30 o 17.631  7.4034  58.868     53.571   66.304     155.592  57.868     57.059   18.140  9.0228  17.527  7.5103  0.6138592      11.73949 
1 1 1 -21 -43 31 o 15.735  6.9106  34.948     50.806   -23.6399   116.420  48.731     56.467   15.955  7.9137  16.856  7.3470  -0.9007607     10.79835 
1 1 1 -21 -43 32 o 14.694  6.6247  20.486     49.927   139.170    112.547  -8.5917    55.708   20.410  9.4752  13.496  6.3903  6.914060       11.42868 
1 1 1 -21 -43 33 o 20.249  7.6543  85.550     51.487   53.494     119.743  92.821     57.028   17.739  8.6401  20.532  7.9797  -2.793438      11.76124 
1 1 1 -21 -43 34 o 15.546  6.8527  32.389     50.379   -28.3165   115.222  46.738     56.018   15.845  7.8616  16.725  7.3029  -0.8790779     10.73023 
1 1 1 -21 -43 35 o 14.065  6.6223  -0.7890    58.281   85.389     111.337  -33.3161   68.401   18.634  8.8834  13.505  6.5671  5.128754       11.04724 
1 1 1 -21 -43 36 o 13.988  6.6702  -9.8507    62.858   196.337    160.124  -47.4130   68.344   20.617  10.031  13.058  6.3959  7.558830       11.89620 
1 1 1 -21 -43 37 o 15.078  7.1591  4.9680     70.858   279.353    180.167  -45.2388   77.068   21.719  10.583  13.751  6.7468  7.967915       12.55058 
1 1 1 -21 -43 38 o 10.716  5.2744  -59.4223   48.297   -160.9339  177.485  -51.3042   50.192   ?       ?       11.226  5.4948  0.000000       5.494839 
1 1 1 -21 -43 39 o 21.579  8.0162  101.434    55.969   -41.6794   131.166  133.292    61.885   16.116  8.0577  24.158  8.5034  -8.041775      11.71467 
1 1 1 -21 -43 40 o 16.055  7.0599  37.477     53.171   20.976     126.974  40.986     58.552   17.187  8.4770  16.439  7.3099  0.7475300      11.19347 
1 1 1 -21 -43 41 o 19.483  7.8112  80.179     56.198   -79.8965   140.110  110.869    61.349   15.780  7.9480  21.956  8.3418  -6.176237      11.52197 
1 1 1 -21 -43 42 o 13.640  6.3102  3.4788     49.283   77.365     128.004  -9.3797    53.399   18.435  8.9687  13.305  6.2870  5.129251       10.95284 
1 1 1 -21 -43 43 o 17.188  7.2983  52.822     52.998   -70.1019   131.326  76.737     57.924   15.642  7.8547  19.075  7.8253  -3.433064      11.08745 
1 1 1 -21 -43 44 o 11.361  5.5608  -50.8451   51.393   -66.8039   128.044  -47.7804   56.111   15.559  7.8054  11.964  5.8463  3.595132       9.752092 
1 1 1 -21 -43 45 o 15.953  7.1211  35.893     56.134   67.498     135.207  29.310     61.704   18.075  8.8822  15.749  7.2034  2.326256       11.43604 
1 1 1 -21 -43 46 o 25.112  8.2714  138.789    58.421   95.390     122.778  151.490    66.422   18.668  9.0094  25.023  8.8093  -6.354874      12.60057 
1 1 1 -21 -43 47 o 14.734  6.9461  8.4664     64.489   46.077     110.396  -11.0168   79.456   17.237  8.3728  14.752  7.1513  2.485069       11.01108 
1 1 1 -21 -43 48 o 14.932  7.1667  2.6253     75.150   245.829    140.807  -94.2449   88.865   22.017  10.344  13.135  6.5768  8.882398       12.25736 
1 1 1 -21 -43 49 o 18.388  8.2242  82.477     75.265   -98.3516   139.483  156.755    89.396   15.041  7.6143  21.852  9.3833  -6.811297      12.08403 
1 1 1 -21 -43 50 o 18.011  7.4738  69.736     53.649   125.766    116.941  54.800     60.377   18.858  9.0217  16.775  7.4427  2.083336       11.69550 
1 1 1 -21 -43 51 o 10.946  5.3820  -50.1263   49.864   -118.4069  107.761  -31.5232   56.248   13.387  6.7684  12.212  5.9421  1.175540       9.006701 
1 1 1 -21 -42 11 o 17.039  7.1398  57.057     49.650   0.0000     0.0000   57.057     49.650   ?       ?       17.039  7.1398  0.000000       7.139811 
1 1 1 -21 -42 12 o 12.098  5.6919  -9.6839    42.910   0.0000     0.0000   -9.6839    42.910   ?       ?       12.098  5.6919  0.000000       5.691870 
1 1 1 -21 -42 13 o 15.881  6.7765  40.331     46.099   0.0000     0.0000   40.331     46.099   ?       ?       15.881  6.7765  0.000000       6.776474 
1 1 1 -21 -42 14 o 17.228  7.5955  54.615     61.915   0.0000     0.0000   54.615     61.915   ?       ?       17.228  7.5955  0.000000       7.595546 
1 1 1 -21 -42 15 o 15.718  7.1583  29.028     60.103   0.0000     0.0000   29.028     60.103   ?       ?       15.718  7.1583  0.000000       7.158296 
1 1 1 -21 -42 16 o 17.426  7.4900  55.215     57.063   6.9381     153.659  62.938     61.458   17.342  8.6783  17.974  7.7497  -0.6316586     11.63484 
1 1 1 -21 -42 17 o 15.830  6.8532  35.728     48.458   162.582    134.807  16.905     51.929   20.760  9.8624  14.686  6.6751  6.073965       11.90896 
1 1 1 -21 -42 18 o 14.884  6.4813  26.227     43.851   143.462    122.424  8.9724     46.968   20.612  9.6709  13.857  6.3174  6.754988       11.55144 
1 1 1 -21 -42 19 o 16.730  6.8727  46.538     44.755   184.042    119.172  23.960     48.289   22.303  10.127  14.977  6.6502  7.325397       12.11550 
1 1 1 -21 -42 20 f 14.950  6.6322  23.761     47.927   -12.9038   118.728  30.899     52.385   16.493  8.1462  15.679  6.9457  0.8140459      10.70532 
1 1 1 -21 -42 21 o 16.607  7.0620  44.291     49.754   39.285     123.089  45.269     54.396   17.731  8.6633  16.773  7.2612  0.9580860      11.30389 
1 1 1 -21 -42 22 o 15.523  6.8665  29.742     51.015   -38.2548   122.538  43.997     56.108   16.080  7.9996  16.700  7.3002  -0.6199894     10.82990 
1 1 1 -21 -42 23 o 16.462  7.1910  41.328     54.363   110.908    123.826  24.715     60.505   19.572  9.3410  15.631  7.1432  3.940741       11.75922 
1 1 1 -21 -42 24 o 16.849  7.2352  46.921     53.154   88.233     123.062  37.447     58.935   18.926  9.1058  16.324  7.2907  2.602049       11.66491 
1 1 1 -21 -42 25 o 13.912  6.5165  -1.5009    55.196   -16.0523   119.851  2.4162     62.183   16.420  8.1238  14.587  6.8594  1.833502       10.63237 
1 1 1 -21 -42 26 o 19.195  7.5227  73.118     51.009   67.422     117.105  74.452     56.667   18.354  8.8435  19.083  7.7740  -0.7286186     11.77463 
1 1 1 -21 -42 27 o 14.813  6.6444  20.806     49.504   -106.7778  116.249  49.068     54.713   14.649  7.3604  17.033  7.3281  -2.384651      10.38634 
1 1 1 -21 -42 28 o 14.737  6.8596  8.7805     59.614   -37.8197   108.868  28.737     71.245   15.621  7.7310  16.256  7.5439  -0.6347761     10.80186 
1 1 1 -21 -42 29 o 16.543  7.5517  36.803     67.391   -38.0215   148.702  56.143     75.601   16.730  8.3955  17.703  8.0491  -0.9722996     11.63065 
1 1 1 -21 -42 30 o 18.787  8.2347  75.161     71.826   -43.2342   153.375  108.420    81.291   16.756  8.4235  20.545  8.8854  -3.789351      12.24359 
1 1 1 -21 -42 31 o 10.765  5.2561  -48.3037   45.092   -172.0049  140.528  -34.1057   47.609   14.759  7.4894  11.657  5.6220  3.101968       9.364703 
1 1 1 -21 -42 32 o 22.771  7.7430  105.281    51.143   114.080    117.070  103.206    56.855   19.796  9.3404  21.848  8.0867  -2.051975      12.35467 
1 1 1 -21 -42 33 o 11.300  5.4320  -31.2056   43.562   -132.3112  108.133  -11.6183   47.595   13.871  6.9861  12.729  5.9906  1.141987       9.202911 
1 1 1 -21 -42 34 o 14.342  6.4290  16.747     46.274   -155.3324  111.814  52.310     50.832   13.720  6.9329  17.294  7.2336  -3.574007      10.01951 
1 1 1 -21 -42 35 o 10.708  5.2227  -46.9160   44.185   -143.8682  109.421  -28.0269   48.298   13.767  6.9451  12.011  5.7596  1.755836       9.022643 
1 1 1 -21 -42 36 o 10.991  5.4686  -86.5151   57.351   -12.2782   166.092  -96.5646   61.110   17.425  8.7608  11.127  5.5536  6.298136       10.37276 
1 1 1 -21 -42 37 o 18.462  8.0926  68.785     69.377   -89.2200   181.752  95.734     75.060   16.799  8.5238  20.060  8.6054  -3.260893      12.11229 
1 1 1 -21 -42 38 o 11.935  5.8741  -63.2337   59.876   -211.5380  174.813  -43.5230   63.731   ?       ?       12.928  6.2982  0.000000       6.298176 
1 1 1 -21 -42 39 o 12.272  5.8292  -19.8644   47.058   -99.9884   130.072  -7.7977    50.477   15.363  7.7276  13.229  6.2078  2.133897       9.912213 
1 1 1 -21 -42 40 o 13.579  6.2858  0.8349     49.011   146.513    124.603  -25.8288   53.308   20.812  9.7622  12.654  6.0634  8.158668       11.49196 
1 1 1 -21 -42 41 o 17.567  7.3095  54.713     51.517   9.0756     128.484  63.456     56.235   17.254  8.5131  18.271  7.6225  -1.017807      11.42699 
1 1 1 -21 -42 42 o 20.870  7.9299  91.114     55.442   -48.5018   132.971  120.493    60.997   16.328  8.1562  23.318  8.4162  -6.989645      11.71983 
1 1 1 -21 -42 43 o 43.000  8.6333  366.245    86.947   434.316    146.102  328.918    108.191  31.493  12.606  33.069  11.262  -1.575731      16.90370 
1 1 1 -21 -42 44 o 10.409  5.2197  -109.0344  56.996   -174.1660  100.758  -78.3863   69.117   12.872  6.5113  12.393  6.1380  0.4791212      8.948339 
1 1 1 -21 -42 45 o 12.314  5.9219  -30.7261   51.900   -185.1160  109.867  13.622     58.884   13.252  6.7138  15.021  6.9310  -1.769000      9.649548 
1 1 1 -21 -42 46 o 23.869  8.1387  120.501    56.505   126.851    113.458  118.407    65.161   20.427  9.4933  22.561  8.5910  -2.134277      12.80342 
1 1 1 -21 -42 47 o 13.077  6.1961  -14.2622   52.544   -165.2343  104.034  37.437     60.879   13.143  6.6454  16.405  7.3625  -3.261800      9.918017 
1 1 1 -21 -42 48 o 12.500  6.1220  -51.8774   62.584   -169.3782  121.837  -9.7605    72.943   13.968  7.0759  14.703  7.0579  -0.7351971     9.994116 
1 1 1 -21 -42 49 o 17.002  7.8022  46.007     73.203   165.981    136.453  -2.4741    86.742   20.599  9.8243  15.531  7.5146  5.068463       12.36876 
1 1 1 -21 -42 50 o 20.911  8.8934  118.980    78.927   35.609     144.664  154.315    94.179   17.473  8.6922  21.955  9.5293  -4.481855      12.89815 
1 1 1 -21 -42 51 o 15.231  6.8466  28.833     52.872   16.846     112.743  32.213     59.863   16.490  8.1047  15.693  7.1457  0.7967978      10.80494 
1 1 1 -21 -42 52 o 16.458  7.2293  48.233     55.620   192.063    130.836  16.505     61.449   20.621  9.7725  14.783  6.9089  5.837636       11.96812 
1 1 1 -21 -41 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -41 9  o 16.564  7.8248  40.162     82.613   0.0000     0.0000   40.162     82.613   ?       ?       16.564  7.8248  0.000000       7.824849 
1 1 1 -21 -41 10 o 12.970  5.9905  0.9900     44.139   0.0000     0.0000   0.9900     44.139   ?       ?       12.970  5.9905  0.000000       5.990456 
1 1 1 -21 -41 11 o 12.357  5.7870  -9.4612    43.492   0.0000     0.0000   -9.4612    43.492   ?       ?       12.357  5.7870  0.000000       5.786959 
1 1 1 -21 -41 12 o 15.311  6.6685  29.821     46.442   0.0000     0.0000   29.821     46.442   ?       ?       15.311  6.6685  0.000000       6.668469 
1 1 1 -21 -41 13 o 12.066  5.6828  -15.1919   42.979   0.0000     0.0000   -15.1919   42.979   ?       ?       12.066  5.6828  0.000000       5.682788 
1 1 1 -21 -41 14 o 12.353  5.7912  -12.1526   43.752   0.0000     0.0000   -12.1526   43.752   ?       ?       12.353  5.7912  0.000000       5.791165 
1 1 1 -21 -41 15 o 9.0617  4.5444  -93.9968   43.228   -196.4048  133.507  -82.0030   45.689   14.361  7.2887  9.7491  4.8556  4.611709       8.757925 
1 1 1 -21 -41 16 o 8.5612  4.3195  -108.8481  42.386   -283.0211  133.260  -89.2443   44.707   ?       ?       9.4088  4.7042  0.000000       4.704156 
1 1 1 -21 -41 17 o 20.576  8.2795  91.849     63.393   195.442    161.459  72.969     68.928   21.484  10.359  18.978  8.1948  2.505932       13.20877 
1 1 1 -21 -41 18 o 11.768  5.5427  -16.8757   40.897   -12.6351   114.771  -17.4925   43.770   16.615  8.1684  12.088  5.7057  4.526811       9.963836 
1 1 1 -21 -41 19 f 16.464  6.9934  41.127     48.696   107.504    118.071  27.523     53.454   19.913  9.3908  15.632  6.9655  4.280920       11.69214 
1 1 1 -21 -41 20 o 13.702  6.2438  6.3283     45.808   -39.7502   120.495  14.113     49.526   16.203  8.0391  14.506  6.5635  1.697076       10.37825 
1 1 1 -21 -41 21 o 15.425  6.8076  27.286     49.865   83.579     113.767  13.900     55.478   19.151  9.0867  14.892  6.8184  4.258846       11.36042 
1 1 1 -21 -41 22 o 23.435  8.0925  114.420    55.917   136.331    126.144  109.061    62.380   20.681  9.7389  22.144  8.4120  -1.463007      12.86887 
1 1 1 -21 -41 23 o 14.727  6.6560  16.235     50.769   -66.9418   125.513  32.506     55.513   15.870  7.9266  16.051  7.1284  -0.1814661     10.66040 
1 1 1 -21 -41 24 o 12.912  6.0094  -6.4408    45.732   47.017     120.634  -15.4127   49.420   18.147  8.8006  12.809  6.0511  5.338447       10.68015 
1 1 1 -21 -41 25 o 10.639  5.2166  -55.8679   45.846   -73.5188   108.767  -52.0543   50.557   15.092  7.5127  11.366  5.5530  3.726422       9.342165 
1 1 1 -21 -41 26 o 11.300  5.4494  -35.9261   44.700   29.036     106.963  -49.6719   49.202   17.467  8.4248  11.297  5.5103  6.170326       10.06677 
1 1 1 -21 -41 27 o 9.9083  4.9095  -71.3303   44.383   41.772     106.116  -95.3111   48.863   17.842  8.5509  9.8010  4.9029  8.040813       9.856794 
1 1 1 -21 -41 28 o 9.7434  4.8403  -75.8269   44.224   -76.9374   106.415  -75.5952   48.621   14.939  7.4354  10.341  5.1263  4.598187       9.031331 
1 1 1 -21 -41 29 o 19.870  8.2701  84.398     65.975   74.785     110.854  89.671     82.097   18.947  8.9840  19.787  8.7337  -0.8399296     12.52956 
1 1 1 -21 -41 30 o 10.894  5.4066  -81.7742   54.641   -36.0393   135.598  -90.6401   59.702   16.769  8.3538  11.212  5.5789  5.556086       10.04538 
1 1 1 -21 -41 31 f 27.626  9.8262  197.068    82.845   264.772    163.682  173.751    96.058   23.194  10.974  24.067  9.9948  -0.8735085     14.84337 
1 1 1 -21 -41 32 o 13.505  6.2528  -1.3774    48.527   -156.9529  144.738  18.325     51.508   15.327  7.7587  14.950  6.7355  0.3764009      10.27447 
1 1 1 -21 -41 33 o 30.391  7.6611  171.232    56.478   231.795    121.831  154.654    63.740   24.872  10.817  26.836  8.6262  -1.963919      13.83541 
1 1 1 -21 -41 34 o 15.947  6.9155  33.850     49.511   87.068     109.671  20.227     55.487   19.388  9.1146  15.314  6.9365  4.073683       11.45386 
1 1 1 -21 -41 35 o 19.930  7.6073  77.617     51.170   154.315    117.924  59.825     56.796   21.709  9.9402  18.140  7.6204  3.569834       12.52513 
1 1 1 -21 -41 36 o 13.291  6.1952  -5.7855    48.890   25.480     121.941  -11.7740   53.367   17.715  8.6482  13.400  6.3174  4.315125       10.70984 
1 1 1 -21 -41 37 o 19.364  8.4621  80.032     75.345   -233.0930  184.748  142.502    82.520   ?       ?       23.193  9.4064  0.000000       9.406403 
1 1 1 -21 -41 38 o 12.679  6.2283  -61.9044   66.306   -163.8940  159.843  -40.7067   72.872   15.751  7.9922  13.867  6.7510  1.884160       10.46188 
1 1 1 -21 -41 39 o 11.650  5.7846  -86.6667   62.856   130.586    179.314  -117.1015  67.114   19.988  9.8977  11.334  5.6809  8.654786       11.41213 
1 1 1 -21 -41 40 o 22.200  8.0119  101.799    55.276   230.816    136.327  76.415     60.470   23.716  10.793  19.442  7.9880  4.274019       13.42754 
1 1 1 -21 -41 41 o 16.238  7.1067  35.518     53.315   73.371     128.370  27.628     58.610   18.997  9.1791  15.941  7.1831  3.055620       11.65561 
1 1 1 -21 -41 42 o 17.319  7.2987  49.658     52.371   31.958     110.625  54.770     59.455   17.715  8.5501  17.789  7.6458  -0.7375526E-01 11.47009 
1 1 1 -21 -41 43 o 21.114  8.0049  91.934     56.419   60.321     115.441  101.854    64.668   18.620  8.9226  21.458  8.4513  -2.838064      12.28975 
1 1 1 -21 -41 44 o 12.521  5.9337  -19.8837   48.229   47.897     103.767  -38.5606   54.470   18.143  8.6289  12.368  5.9769  5.774866       10.49669 
1 1 1 -21 -41 45 o 50.453  6.0620  402.252    72.724   625.015    138.556  317.547    85.439   48.919  11.808  39.278  9.1371  9.641193       14.93001 
1 1 1 -21 -41 46 o 9.9576  4.9738  -93.3803   49.435   -73.8300   99.991   -99.7048   56.872   14.769  7.3267  10.695  5.3412  4.073174       9.066923 
1 1 1 -21 -41 47 o 15.140  6.7583  21.347     50.569   11.631     111.218  23.879     56.777   17.228  8.3768  15.660  7.0620  1.567644       10.95637 
1 1 1 -21 -41 48 o 17.791  7.5620  55.098     57.001   45.899     112.353  58.286     66.146   18.134  8.7188  18.076  7.9133  0.5723381E-01  11.77450 
1 1 1 -21 -41 49 o 16.047  7.5927  12.542     78.357   98.619     154.829  -17.0952   90.850   19.456  9.5496  15.609  7.5852  3.847253       12.19547 
1 1 1 -21 -41 50 o 15.734  7.4264  11.313     74.139   -24.0333   159.451  21.062     83.742   17.311  8.6878  16.495  7.8177  0.8158188      11.68731 
1 1 1 -21 -41 51 o 13.076  6.2683  -23.5559   57.109   -253.9485  157.490  11.326     61.280   ?       ?       14.979  6.9664  0.000000       6.966445 
1 1 1 -21 -41 52 o 20.464  8.0417  92.487     58.427   -34.4588   131.357  123.797    65.236   16.231  8.1076  22.736  8.6107  -6.504848      11.82693 
1 1 1 -21 -41 53 o 23.242  8.4544  127.208    61.727   244.342    139.247  98.561     68.863   22.445  10.460  20.040  8.4034  2.405039       13.41716 
1 1 1 -21 -40 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -40 7  o 25.563  8.3162  143.080    59.123   0.0000     0.0000   143.080    59.123   ?       ?       25.563  8.3162  0.000000       8.316206 
1 1 1 -21 -40 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -40 9  o 15.308  7.2529  3.8296     71.975   0.0000     0.0000   3.8296     71.975   ?       ?       15.308  7.2529  0.000000       7.252939 
1 1 1 -21 -40 10 o 16.172  7.5794  18.697     74.847   0.0000     0.0000   18.697     74.847   ?       ?       16.172  7.5794  0.000000       7.579360 
1 1 1 -21 -40 11 o 12.279  5.7207  -10.2961   41.606   0.0000     0.0000   -10.2961   41.606   ?       ?       12.279  5.7207  0.000000       5.720650 
1 1 1 -21 -40 12 o 10.307  5.0079  -43.4943   39.563   0.0000     0.0000   -43.4943   39.563   ?       ?       10.307  5.0079  0.000000       5.007930 
1 1 1 -21 -40 13 o 16.103  6.7276  36.994     43.893   -6.7855    129.623  42.665     46.649   17.389  8.5743  16.712  6.9549  0.6760159      11.04032 
1 1 1 -21 -40 14 o 149.807 5.2193  3315.99    189.717  3729.24    335.574  3121.85    230.002  123.737 11.302  135.999 6.9936  -12.26211      13.29058 
1 1 1 -21 -40 15 o 14.173  6.3748  11.395     45.914   71.928     126.143  2.1512     49.295   19.197  9.2322  13.875  6.3801  5.322384       11.22224 
1 1 1 -21 -40 16 o 16.747  7.3669  38.917     57.941   127.706    150.918  23.567     62.750   20.466  9.9048  16.008  7.2996  4.457668       12.30400 
1 1 1 -21 -40 17 o 17.840  7.6783  53.879     60.117   26.054     156.567  58.691     65.108   18.438  9.1506  18.220  7.9158  0.2175846      12.09933 
1 1 1 -21 -40 18 f 15.487  7.0149  20.248     56.747   -209.8761  154.760  55.994     60.995   15.227  7.7398  17.995  7.7396  -2.768635      10.94559 
1 1 1 -21 -40 19 o 15.108  6.6147  24.065     46.229   -14.1690   116.129  31.265     50.393   16.822  8.2596  15.888  6.9325  0.9342890      10.78334 
1 1 1 -21 -40 20 o 25.889  7.9805  131.511    55.103   204.363    126.575  114.476    61.207   23.641  10.613  23.099  8.4162  0.5417843      13.54483 
1 1 1 -21 -40 21 o 16.087  7.0129  33.060     51.463   -40.5387   118.949  50.009     57.082   16.370  8.0982  17.530  7.5118  -1.159613      11.04571 
1 1 1 -21 -40 22 o 23.812  8.1165  115.200    56.196   186.807    124.318  96.810     63.000   23.114  10.434  21.288  8.3551  1.825857       13.36695 
1 1 1 -21 -40 23 o 20.742  7.7617  84.238     52.658   77.624     127.352  85.601     57.834   19.387  9.3115  20.574  8.0248  -1.187025      12.29232 
1 1 1 -21 -40 24 o 16.287  6.9343  36.947     48.079   135.371    109.145  13.249     53.556   21.664  9.7782  14.906  6.7763  6.757939       11.89674 
1 1 1 -21 -40 25 o 14.869  6.5993  19.018     47.505   -41.0845   110.512  32.641     52.614   16.106  7.9369  16.158  7.0659  -0.5204010E-01 10.62648 
1 1 1 -21 -40 26 o 13.508  6.1818  1.3811     45.523   -87.1693   106.631  21.118     50.341   14.972  7.4507  15.222  6.7728  -0.2493925     10.06898 
1 1 1 -21 -40 27 f 26.710  7.7638  134.210    53.321   285.059    114.127  92.087     60.308   29.857  11.369  21.135  8.2082  8.722336       14.02281 
1 1 1 -21 -40 28 o 15.274  6.5811  26.610     44.265   -46.3991   107.316  41.578     48.591   15.900  7.8329  16.751  7.0433  -0.8503742     10.53393 
1 1 1 -21 -40 29 o 32.044  7.2604  178.558    55.144   133.064    118.788  191.056    62.260   21.437  9.8746  31.940  8.0394  -10.50338      12.73343 
1 1 1 -21 -40 30 o 20.246  8.5569  86.567     72.313   13.174     148.874  109.231    82.728   18.333  9.0672  21.417  9.1067  -3.084379      12.85095 
1 1 1 -21 -40 31 o 19.658  8.3792  77.478     70.350   213.286    150.877  39.749     79.524   23.101  10.806  17.597  8.0961  5.503681       13.50239 
1 1 1 -21 -40 32 o 22.252  8.9053  113.618    72.902   99.347     152.938  117.813    82.930   20.096  9.7831  21.975  9.2186  -1.878439      13.44222 
1 1 1 -21 -40 33 f 11.620  5.5696  -32.3973   45.037   -48.3023   129.128  -30.1945   48.055   16.716  8.2983  12.096  5.7857  4.620095       10.11616 
1 1 1 -21 -40 34 o 21.142  7.8069  87.157     52.926   203.918    122.184  60.189     58.720   24.273  10.687  18.451  7.7497  5.822300       13.20141 
1 1 1 -21 -40 35 o 28.118  7.7561  147.020    54.636   43.312     123.438  172.287    60.929   18.571  8.9803  29.953  8.1612  -11.38174      12.13473 
1 1 1 -21 -40 36 o 11.102  5.4024  -48.6054   46.516   -77.6295   122.455  -43.7110   50.286   15.900  7.9239  11.770  5.7014  4.130582       9.761932 
1 1 1 -21 -40 37 o 13.884  6.3780  1.8398     49.100   -58.4163   117.228  14.660     54.072   16.043  7.9544  15.059  6.8316  0.9840031      10.48535 
1 1 1 -21 -40 38 o 17.074  7.7738  35.571     70.821   42.758     184.790  34.334     76.675   19.120  9.5601  17.203  7.9277  1.917095       12.41950 
1 1 1 -21 -40 39 o 16.114  7.4754  17.361     69.862   -76.5368   185.266  32.927     75.431   17.627  8.9090  17.088  7.8704  0.5394001      11.88751 
1 1 1 -21 -40 40 o 16.815  7.7319  29.682     72.384   92.499     191.757  19.244     78.167   19.817  9.8824  16.568  7.7590  3.248756       12.56440 
1 1 1 -21 -40 41 o 26.301  8.1407  136.994    57.269   150.722    115.538  132.522    65.940   22.129  10.018  24.506  8.7612  -2.376911      13.30830 
1 1 1 -21 -40 42 o 13.337  6.2597  -11.6096   51.366   256.886    108.530  -89.1164   58.311   28.697  11.048  11.186  5.5570  17.51120       12.36717 
1 1 1 -21 -40 43 o 21.956  8.0363  97.455     55.897   22.689     108.066  124.765    65.312   17.657  8.5047  23.820  8.6916  -6.163034      12.16035 
1 1 1 -21 -40 44 o 16.245  7.5382  18.561     71.122   -23.8459   112.959  46.415     91.546   16.622  8.1583  18.112  8.4540  -1.489470      11.74849 
1 1 1 -21 -40 45 o 21.217  8.6647  99.357     70.615   86.905     116.159  106.656    88.936   19.796  9.3294  21.007  9.1867  -1.210949      13.09322 
1 1 1 -21 -40 46 o 12.981  6.1231  -17.0025   50.242   49.198     101.578  -38.4436   57.809   18.451  8.7040  12.817  6.1847  5.633854       10.67754 
1 1 1 -21 -40 47 o 35.543  7.8549  228.934    65.939   523.205    139.429  144.160    74.836   41.727  12.663  24.696  9.2506  17.03048       15.68215 
1 1 1 -21 -40 48 f 15.365  6.9127  19.085     54.040   -59.7788   121.601  38.493     60.324   16.237  8.0593  16.933  7.4796  -0.6958771     10.99528 
1 1 1 -21 -40 49 o 16.318  7.5938  17.962     72.979   -6.4775    122.636  31.361     90.809   17.341  8.5089  17.526  8.2563  -0.1853027     11.85611 
1 1 1 -21 -40 50 o 16.008  7.4880  12.864     72.453   -216.6278  170.186  63.666     80.071   ?       ?       18.686  8.4101  0.000000       8.410099 
1 1 1 -21 -40 51 o 14.001  6.9018  -65.7297   83.756   0.0000     0.0000   -65.7297   83.756   ?       ?       14.001  6.9018  0.000000       6.901750 
1 1 1 -21 -40 52 o 14.135  6.8353  -29.6231   71.522   -96.6985   124.050  3.7768     87.536   15.381  7.7113  16.150  7.7469  -0.7689877     10.93058 
1 1 1 -21 -40 53 o 18.802  9.1517  76.529     133.685  76.529     133.685  0.0000     0.0000   18.802  9.1517  ?       ?       0.000000       9.151661 
1 1 1 -21 -40 54 o 20.489  9.8352  162.655    141.653  162.655    141.653  0.0000     0.0000   20.489  9.8352  ?       ?       0.000000       9.835243 
1 1 1 -21 -39 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -39 6  o 12.395  5.8575  -16.8453   46.366   0.0000     0.0000   -16.8453   46.366   ?       ?       12.395  5.8575  0.000000       5.857502 
1 1 1 -21 -39 7  o 12.975  6.0898  -11.7621   48.614   0.0000     0.0000   -11.7621   48.614   ?       ?       12.975  6.0898  0.000000       6.089787 
1 1 1 -21 -39 8  o 10.457  5.1494  -64.2619   46.210   0.0000     0.0000   -64.2619   46.210   ?       ?       10.457  5.1494  0.000000       5.149376 
1 1 1 -21 -39 9  o 17.661  8.0274  43.644     75.109   0.0000     0.0000   43.644     75.109   ?       ?       17.661  8.0274  0.000000       8.027394 
1 1 1 -21 -39 10 o 23.129  9.3766  132.174    81.963   0.0000     0.0000   132.174    81.963   ?       ?       23.129  9.3766  0.000000       9.376556 
1 1 1 -21 -39 11 o 18.317  7.2261  57.473     47.351   0.0000     0.0000   57.473     47.351   ?       ?       18.317  7.2261  0.000000       7.226122 
1 1 1 -21 -39 12 o 9.8646  4.7799  -40.0596   35.401   -148.1556  122.218  -30.1594   36.987   14.831  7.4638  10.617  5.0778  4.213466       9.027306 
1 1 1 -21 -39 13 o 22.538  7.6425  96.181     49.823   25.934     132.496  107.750    53.769   18.409  8.9933  23.483  7.9396  -5.074127      11.99647 
1 1 1 -21 -39 14 o 14.721  6.4554  19.382     44.185   -58.7750   121.070  31.392     47.459   16.281  8.0744  15.894  6.8312  0.3866634      10.57647 
1 1 1 -21 -39 15 o 16.177  6.7317  36.664     43.703   -30.6643   123.866  46.237     46.707   16.938  8.3577  17.171  7.0335  -0.2325726     10.92342 
1 1 1 -21 -39 16 o 14.077  6.5574  -4.3381    54.639   131.088    111.713  -46.9207   62.643   21.649  9.8207  12.997  6.3117  8.652837       11.67411 
1 1 1 -21 -39 17 o 21.354  8.4962  96.861     65.976   127.615    152.977  89.834     73.126   20.842  10.058  20.527  8.6363  0.3144951      13.25705 
1 1 1 -21 -39 18 o 10.640  5.2584  -74.1196   49.721   -127.0468  135.874  -65.9363   53.427   15.743  7.9161  11.369  5.5861  4.374010       9.688621 
1 1 1 -21 -39 19 o 17.811  7.7739  49.244     63.417   203.337    154.265  17.907     69.567   22.900  10.780  16.253  7.5115  6.646576       13.13856 
1 1 1 -21 -39 20 o 31.538  8.0382  184.892    61.692   271.038    132.394  160.999    69.724   26.994  11.500  27.223  9.0396  -0.2294579     14.62774 
1 1 1 -21 -39 21 o 27.658  8.4551  152.518    61.997   48.486     128.032  184.383    70.859   19.022  9.1854  29.603  9.0371  -10.58057      12.88568 
1 1 1 -21 -39 22 o 22.151  7.8095  93.741     52.218   191.522    121.020  71.373     57.883   24.254  10.659  19.592  7.9018  4.661934       13.26816 
1 1 1 -21 -39 23 f 22.338  7.7049  93.824     50.682   24.821     109.673  112.562    57.151   18.110  8.6830  23.845  8.1843  -5.734823      11.93218 
1 1 1 -21 -39 24 f 28.063  7.7145  143.024    54.159   202.468    113.589  125.534    61.614   25.525  10.753  24.800  8.4985  0.7248936      13.70557 
1 1 1 -21 -39 25 o 39.027  6.2447  238.661    57.140   256.669    121.717  233.570    64.714   27.914  11.385  36.811  7.5001  -8.896669      13.63336 
1 1 1 -21 -39 26 o 16.538  6.8996  37.631     46.073   -37.7303   104.593  55.775     51.321   16.294  7.9662  18.334  7.4242  -2.040339      10.88939 
1 1 1 -21 -39 27 o 14.062  6.2920  8.8443     44.104   19.710     107.928  6.6662     48.323   18.043  8.6410  14.310  6.4783  3.732904       10.79982 
1 1 1 -21 -39 28 o 18.405  7.2383  56.275     47.372   -42.4756   107.292  80.188     52.798   16.342  8.0065  20.780  7.7727  -4.438082      11.15878 
1 1 1 -21 -39 29 o 42.995  5.9502  282.599    60.410   224.022    122.198  301.545    69.497   26.249  11.110  43.004  6.8931  -16.75501      13.07485 
1 1 1 -21 -39 30 o 20.740  7.5358  77.911     49.023   67.534     109.445  80.515     54.831   19.711  9.2150  20.740  7.8847  -1.028744      12.12781 
1 1 1 -21 -39 31 o 19.810  8.4397  73.400     71.299   287.269    149.285  10.200     81.153   26.931  11.836  16.729  7.8571  10.20146       14.20680 
1 1 1 -21 -39 32 o 17.537  7.7596  40.353     65.188   -108.6491  142.255  79.960     73.342   16.559  8.2956  20.236  8.5885  -3.677118      11.94067 
1 1 1 -21 -39 33 o 15.811  7.3278  7.8260     66.901   170.869    145.019  -36.2546   75.405   22.811  10.645  14.620  7.0570  8.191350       12.77186 
1 1 1 -21 -39 34 o 13.875  6.3245  1.8300     47.042   -112.1869  109.794  27.466     52.062   14.969  7.4669  16.037  7.0206  -1.067928      10.24904 
1 1 1 -21 -39 35 o 27.939  7.8819  143.690    55.753   169.343    127.713  137.650    61.970   23.247  10.527  26.194  8.5138  -2.946581      13.53920 
1 1 1 -21 -39 36 f 17.992  7.4400  51.938     52.904   81.364     124.083  45.401     58.487   20.140  9.5367  17.597  7.5735  2.543251       12.17809 
1 1 1 -21 -39 37 o 16.439  7.1469  32.766     53.149   199.944    124.924  -4.1827    58.729   24.598  10.819  14.563  6.7886  10.03536       12.77249 
1 1 1 -21 -39 38 o 10.475  5.1161  -53.4164   42.821   -126.4859  95.909   -35.2247   47.855   13.763  6.8824  11.933  5.7251  1.830051       8.952354 
1 1 1 -21 -39 39 o 22.811  9.2634  122.503    80.141   111.780    196.866  124.632    87.740   20.648  10.250  22.539  9.4701  -1.890709      13.95490 
1 1 1 -21 -39 40 f 26.491  10.073  182.212    89.507   280.938    204.695  158.872    99.526   23.352  11.357  23.922  10.071  -0.5698318     15.17866 
1 1 1 -21 -39 41 o 18.697  8.4594  57.223     82.264   -6.3109    194.695  71.031     90.764   18.944  9.5193  19.447  8.8334  -0.5031738     12.98639 
1 1 1 -21 -39 42 o 13.594  6.3619  -10.7825   52.405   37.304     106.442  -26.1679   60.208   18.341  8.7278  13.622  6.5046  4.719235       10.88508 
1 1 1 -21 -39 43 o 14.721  6.7215  7.9015     53.426   -83.6621   108.389  37.287     61.403   15.301  7.5970  17.016  7.5299  -1.715796      10.69647 
1 1 1 -21 -39 44 o 10.704  5.2958  -77.6641   50.923   -55.2536   104.757  -84.5981   58.270   15.731  7.7474  11.382  5.6371  4.349094       9.581182 
1 1 1 -21 -39 45 o 20.607  8.6044  88.534     71.742   74.425     121.983  95.995     88.706   19.699  9.3649  20.703  9.1111  -1.004723      13.06573 
1 1 1 -21 -39 46 o 23.079  8.2598  107.579    58.624   124.987    123.970  102.565    66.533   21.378  9.9314  21.976  8.5974  -0.5977020     13.13577 
1 1 1 -21 -39 47 o 23.132  8.3408  108.945    59.888   -4.5496    129.959  139.543    67.480   17.859  8.7624  25.454  8.8842  -7.594929      12.47833 
1 1 1 -21 -39 48 o 14.698  6.7342  5.6043     54.240   105.233    120.521  -19.6995   60.739   20.830  9.7150  13.984  6.6364  6.845615       11.76529 
1 1 1 -21 -39 49 o 16.881  7.3064  38.027     55.051   69.364     126.022  30.637     61.199   19.680  9.4012  16.649  7.4333  3.030958       11.98486 
1 1 1 -21 -39 50 o 16.999  7.8604  25.082     76.330   -35.5813   172.465  39.859     85.121   18.261  9.1462  17.968  8.3057  0.2931271      12.35463 
1 1 1 -21 -39 51 o 23.647  11.333  273.240    186.411  273.240    186.411  0.0000     0.0000   23.647  11.333  ?       ?       0.000000       11.33305 
1 1 1 -21 -39 52 o 20.248  10.025  106.726    183.825  106.726    183.825  0.0000     0.0000   20.248  10.025  ?       ?       0.000000       10.02548 
1 1 1 -21 -39 53 f 20.365  9.7595  113.681    138.190  113.681    138.190  0.0000     0.0000   20.365  9.7595  ?       ?       0.000000       9.759527 
1 1 1 -21 -39 54 o 18.156  7.7863  59.397     61.417   109.164    140.547  47.651     68.282   19.925  9.6217  17.477  7.8238  2.447453       12.40122 
1 1 1 -21 -39 55 o 13.699  6.8153  -85.5857   89.021   -188.2959  207.191  -62.3320   98.585   ?       ?       14.749  7.3096  0.000000       7.309617 
1 1 1 -21 -38 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -38 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -38 5  o 21.544  7.8588  91.492     53.389   0.0000     0.0000   91.492     53.389   ?       ?       21.544  7.8588  0.000000       7.858784 
1 1 1 -21 -38 6  o 15.659  6.8401  26.813     49.177   0.0000     0.0000   26.813     49.177   ?       ?       15.659  6.8401  0.000000       6.840088 
1 1 1 -21 -38 7  o 12.153  5.8058  -30.5694   48.061   0.0000     0.0000   -30.5694   48.061   ?       ?       12.153  5.8058  0.000000       5.805770 
1 1 1 -21 -38 8  o 14.730  6.6276  11.850     49.685   0.0000     0.0000   11.850     49.685   ?       ?       14.730  6.6276  0.000000       6.627572 
1 1 1 -21 -38 9  o 21.527  8.0121  89.594     55.964   0.0000     0.0000   89.594     55.964   ?       ?       21.527  8.0121  0.000000       8.012132 
1 1 1 -21 -38 10 o 12.140  5.9369  -61.5380   58.201   0.0000     0.0000   -61.5380   58.201   ?       ?       12.140  5.9369  0.000000       5.936911 
1 1 1 -21 -38 11 f 12.993  6.2123  -30.5954   55.293   -105.8024  185.566  -23.2675   57.924   17.723  8.9536  13.578  6.4545  4.145421       11.03760 
1 1 1 -21 -38 12 o 33.339  7.5408  194.319    59.574   432.800    254.584  180.504    61.275   24.440  12.045  31.290  8.0304  -6.849777      14.47631 
1 1 1 -21 -38 13 o 12.968  6.0648  -13.4770   47.484   -53.2728   122.720  -6.4700    51.495   16.647  8.2334  13.774  6.3994  2.873355       10.42796 
1 1 1 -21 -38 14 o 44.439  6.0852  306.177    63.891   98.212     142.640  358.373    71.461   20.537  9.8614  47.680  6.3336  -27.14295      11.72015 
1 1 1 -21 -38 15 o 17.628  7.1212  49.192     47.095   94.365     113.316  39.760     51.779   20.549  9.5283  16.918  7.1995  3.630077       11.94242 
1 1 1 -21 -38 16 o 14.434  6.4072  13.322     44.795   125.478    108.900  -9.5192    49.145   21.945  9.8481  13.393  6.2323  8.551433       11.65446 
1 1 1 -21 -38 17 o 24.007  9.0530  127.382    71.913   92.172     119.183  147.541    90.179   20.551  9.6101  24.127  9.8154  -3.576651      13.73669 
1 1 1 -21 -38 18 o 14.275  6.8569  -32.3714   69.105   -87.8017   140.574  -14.7070   79.356   16.837  8.4066  15.670  7.4784  1.167166       11.25153 
1 1 1 -21 -38 19 o 15.794  7.4704  -6.4536    75.733   -68.3986   147.821  15.593     88.186   17.454  8.6996  17.311  8.1491  0.1435909      11.92020 
1 1 1 -21 -38 20 o 13.884  6.6304  -29.1544   62.585   109.832    147.247  -59.7984   69.141   21.251  10.155  13.389  6.5310  7.862065       12.07353 
1 1 1 -21 -38 21 o 12.834  5.9114  -7.8648    42.559   -6.1352    110.756  -8.1645    46.098   17.610  8.5134  13.238  6.1169  4.371807       10.48303 
1 1 1 -21 -38 22 o 31.439  7.0153  163.052    52.157   96.548     114.854  180.330    58.542   21.143  9.7282  32.336  7.5912  -11.19365      12.33957 
1 1 1 -21 -38 23 o 41.080  6.0556  256.954    58.549   231.202    125.544  264.112    66.188   27.057  11.346  40.324  7.0197  -13.26693      13.34217 
1 1 1 -21 -38 24 o 27.738  7.3253  131.236    50.033   -29.4200   110.758  172.425    56.082   17.142  8.3405  31.972  7.3789  -14.83055      11.13607 
1 1 1 -21 -38 25 o 11.599  5.4919  -26.6412   41.131   -85.1657   99.872   -14.6872   45.137   15.214  7.5066  12.812  5.9654  2.402071       9.588290 
1 1 1 -21 -38 26 f 17.063  7.0744  39.347     48.010   -48.3055   162.614  47.716     50.249   18.615  9.2531  17.909  7.3111  0.7052326      11.79286 
1 1 1 -21 -38 27 o 16.151  6.8272  30.124     46.045   33.075     107.407  29.460     50.966   18.996  8.9578  16.404  7.0650  2.591568       11.40859 
1 1 1 -21 -38 28 o 23.581  7.7209  99.400     50.930   -25.4131   106.553  136.359    57.982   17.172  8.3136  27.278  8.1410  -10.10667      11.63579 
1 1 1 -21 -38 29 o 18.546  7.3127  54.268     48.469   61.010     108.543  52.589     54.169   20.070  9.3132  18.485  7.5736  1.584728       12.00394 
1 1 1 -21 -38 30 o 11.933  5.6609  -28.8283   44.106   39.179     108.909  -42.1704   48.239   19.284  9.0715  11.861  5.7054  7.423412       10.71650 
1 1 1 -21 -38 31 o 24.937  7.8006  111.444    52.428   270.022    114.157  69.057     59.020   31.392  11.485  19.978  8.0065  11.41385       14.00065 
1 1 1 -21 -38 32 o 13.487  6.4848  -41.8876   62.146   120.728    138.171  -83.1269   69.581   22.224  10.378  12.871  6.3343  9.352600       12.15808 
1 1 1 -21 -38 33 o 20.531  8.6082  77.168     72.246   231.889    150.517  30.852     82.352   25.765  11.569  18.061  8.2834  7.703960       14.22886 
1 1 1 -21 -38 34 o 15.210  7.1027  -6.8104    64.735   36.297     134.142  -19.8974   73.911   19.664  9.4724  15.361  7.2989  4.303665       11.95823 
1 1 1 -21 -38 35 o 20.668  7.7695  75.971     52.882   78.253     115.996  75.372     59.416   20.654  9.5988  20.450  8.0860  0.2042503      12.55071 
1 1 1 -21 -38 36 o 41.036  6.2645  259.449    60.398   257.030    117.513  260.317    70.409   29.597  11.468  39.077  7.6997  -9.479740      13.81312 
1 1 1 -21 -38 37 o 26.437  7.8720  126.830    54.260   104.097    107.842  134.535    62.786   21.580  9.7318  26.173  8.5727  -4.593121      12.96918 
1 1 1 -21 -38 38 o 16.463  7.0742  31.879     50.877   59.622     101.796  22.642     58.740   19.608  9.0705  16.279  7.2742  3.328793       11.62701 
1 1 1 -21 -38 39 o 19.198  8.2671  61.823     69.761   82.117     107.191  46.912     91.882   20.501  9.4201  18.830  8.6777  1.671558       12.80784 
1 1 1 -21 -38 40 f 15.652  7.4402  -13.4016   76.963   -221.3246  186.451  29.302     84.498   16.828  8.5479  17.795  8.2432  -0.9674873     11.87509 
1 1 1 -21 -38 41 o 18.090  8.2886  38.493     82.174   99.159     194.170  25.257     90.696   20.923  10.350  17.811  8.3462  3.112272       13.29571 
1 1 1 -21 -38 42 f 14.755  6.7558  4.4276     54.469   -44.9216   115.387  18.577     61.787   16.705  8.2084  16.102  7.3040  0.6035519      10.98757 
1 1 1 -21 -38 43 o 23.196  8.3980  108.006    60.802   183.667    128.910  86.359     68.953   23.941  10.731  20.809  8.5375  3.132029       13.71321 
1 1 1 -21 -38 44 o 15.908  7.0880  22.415     55.345   142.065    159.603  6.0606     59.006   21.765  10.446  15.183  6.9812  6.581532       12.56381 
1 1 1 -21 -38 45 o 15.085  6.8990  7.7786     56.577   99.356     122.309  -17.1506   63.814   20.834  9.7402  14.433  6.8356  6.401173       11.89943 
1 1 1 -21 -38 46 o 14.288  6.5869  -0.9530    53.006   -34.3154   116.414  7.7726     59.535   16.938  8.3069  15.311  7.0297  1.627069       10.88215 
1 1 1 -21 -38 47 o 39.492  7.8346  273.464    72.424   202.008    232.568  281.138    76.214   22.057  10.980  39.382  8.2404  -17.32553      13.72863 
1 1 1 -21 -38 48 o 14.806  6.8368  1.1019     57.447   105.436    120.393  -29.6567   65.369   21.125  9.8047  14.071  6.7351  7.054213       11.89515 
1 1 1 -21 -38 49 o 14.150  6.5836  -7.2248    54.816   -23.1163   124.181  -3.3789    61.090   17.554  8.6032  14.892  6.9360  2.662343       11.05091 
1 1 1 -21 -38 50 o 22.624  10.450  151.695    134.386  151.695    134.386  0.0000     0.0000   22.624  10.450  ?       ?       0.000000       10.45016 
1 1 1 -21 -38 51 o 21.232  10.413  121.374    182.983  121.374    182.983  0.0000     0.0000   21.232  10.413  ?       ?       0.000000       10.41330 
1 1 1 -21 -38 52 o 21.482  10.456  138.793    174.430  138.793    174.430  0.0000     0.0000   21.482  10.456  ?       ?       0.000000       10.45573 
1 1 1 -21 -38 53 o 13.051  6.2076  -25.4916   53.730   0.8238     126.872  -31.2427   59.311   17.954  8.7773  13.368  6.4031  4.586246       10.86464 
1 1 1 -21 -38 54 o 20.389  7.9657  80.770     57.058   161.608    139.762  64.602     62.504   22.112  10.361  18.907  7.9712  3.204655       13.07281 
1 1 1 -21 -38 55 o 17.601  7.5095  50.298     56.601   56.029     133.826  49.050     62.462   18.924  9.1983  17.619  7.7020  1.304808       11.99711 
1 1 1 -21 -38 56 o 22.802  10.006  165.262    106.318  -229.6242  235.949  265.865    119.093  ?       ?       27.018  11.167  0.000000       11.16701 
1 1 1 -21 -37 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -37 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -37 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -37 4  o 16.230  6.7548  35.573     44.010   0.0000     0.0000   35.573     44.010   ?       ?       16.230  6.7548  0.000000       6.754809 
1 1 1 -21 -37 5  o 16.914  6.9991  40.919     46.862   0.0000     0.0000   40.919     46.862   ?       ?       16.914  6.9991  0.000000       6.999064 
1 1 1 -21 -37 6  o 13.670  6.2933  -4.1559    48.155   0.0000     0.0000   -4.1559    48.155   ?       ?       13.670  6.2933  0.000000       6.293289 
1 1 1 -21 -37 7  o 15.439  6.8637  18.202     51.598   0.0000     0.0000   18.202     51.598   ?       ?       15.439  6.8637  0.000000       6.863702 
1 1 1 -21 -37 8  o 24.228  8.1127  112.231    56.135   0.0000     0.0000   112.231    56.135   ?       ?       24.228  8.1127  0.000000       8.112734 
1 1 1 -21 -37 9  o 24.681  8.1342  116.753    56.495   0.0000     0.0000   116.753    56.495   ?       ?       24.681  8.1342  0.000000       8.134211 
1 1 1 -21 -37 10 o 16.083  7.2034  21.939     57.962   144.590    113.649  -21.1787   67.384   22.941  10.193  14.601  6.9470  8.339893       12.33543 
1 1 1 -21 -37 11 o 14.024  6.6079  -16.2194   58.237   -16.6944   222.399  -16.1844   60.342   19.569  9.8757  14.219  6.7078  5.350314       11.93837 
1 1 1 -21 -37 12 o 18.328  8.2496  46.310     77.056   -133.0493  229.809  69.030     81.791   18.584  9.4451  19.651  8.6933  -1.066118      12.83677 
1 1 1 -21 -37 13 o 14.355  6.6116  -1.1937    53.230   241.250    221.258  -16.0879   54.840   23.035  11.328  13.721  6.4489  9.313944       13.03519 
1 1 1 -21 -37 14 o 10.600  5.1082  -39.2346   39.117   -82.0269   111.788  -33.2639   41.757   15.817  7.8289  11.288  5.3978  4.528323       9.509331 
1 1 1 -21 -37 15 o 12.869  5.9462  -9.5254    43.561   37.514     107.293  -18.8099   47.667   18.885  8.9198  12.835  6.0261  6.049455       10.76459 
1 1 1 -21 -37 16 o 12.890  6.1444  -31.4397   53.226   -61.1601   108.842  -22.0982   61.021   16.221  7.9708  14.117  6.6856  2.104000       10.40337 
1 1 1 -21 -37 17 o 43.610  6.7934  302.765    69.543   199.903    133.264  341.259    81.524   25.153  11.114  44.732  7.7944  -19.57913      13.57439 
1 1 1 -21 -37 18 o 24.508  9.5227  133.660    81.199   178.807    118.219  93.339     111.722  25.126  10.790  21.321  9.7292  3.805056       14.52851 
1 1 1 -21 -37 19 o 27.163  9.1302  150.640    71.100   36.269     154.251  181.496    80.119   20.156  9.8150  29.041  9.6923  -8.885210      13.79401 
1 1 1 -21 -37 20 o 17.675  7.7453  36.403     63.504   -6.1093    152.210  45.362     69.876   19.338  9.4868  18.508  8.1172  0.8293743      12.48550 
1 1 1 -21 -37 21 o 15.967  7.2290  11.515     60.183   -70.9432   155.287  26.090     65.286   18.316  9.0941  17.172  7.6714  1.144011       11.89764 
1 1 1 -21 -37 22 o 38.093  6.3634  221.682    56.741   329.834    118.458  189.479    64.639   36.093  11.773  32.889  8.1431  3.204327       14.31470 
1 1 1 -21 -37 23 o 19.660  7.3430  62.700     47.088   112.626    104.096  49.856     52.798   22.815  9.9589  18.428  7.5052  4.386412       12.47033 
1 1 1 -21 -37 24 o 14.175  6.3239  5.3638     44.202   44.273     101.402  -3.7640    49.114   19.693  9.0898  14.105  6.4421  5.587548       11.14109 
1 1 1 -21 -37 25 o 17.160  6.9741  38.857     45.470   71.684     104.506  31.192     50.501   20.971  9.5073  16.763  7.1211  4.208187       11.87852 
1 1 1 -21 -37 26 o 37.623  6.3097  214.085    55.561   264.308    115.459  198.949    63.383   31.968  11.573  34.472  7.7643  -2.503880      13.93604 
1 1 1 -21 -37 27 o 23.017  7.6518  90.904     49.954   171.643    111.319  70.546     55.898   26.134  10.799  20.529  7.9220  5.605150       13.39278 
1 1 1 -21 -37 28 o 36.166  6.5004  200.069    54.946   253.397    113.607  183.786    62.777   31.506  11.468  32.842  7.9608  -1.336010      13.96044 
1 1 1 -21 -37 29 o 31.837  7.2765  164.428    54.984   296.198    119.653  129.154    61.908   33.900  11.830  26.500  8.4996  7.400066       14.56709 
1 1 1 -21 -37 30 o 20.813  7.6512  72.406     50.748   115.718    107.902  60.104     57.504   23.183  10.129  19.577  7.8828  3.606377       12.83496 
1 1 1 -21 -37 31 o 21.556  7.7285  79.217     51.346   103.630    114.311  73.046     57.470   22.535  10.103  20.769  8.0276  1.765512       12.90392 
1 1 1 -21 -37 32 o 28.011  9.1628  153.714    71.735   336.465    117.534  45.223     90.559   37.449  11.674  19.507  8.8463  17.94216       14.64707 
1 1 1 -21 -37 33 o 21.663  8.7070  85.266     70.018   -115.3375  146.280  144.887    79.747   17.473  8.7002  26.289  9.6024  -8.815651      12.95763 
1 1 1 -21 -37 34 o 20.534  8.5609  71.146     70.867   72.369     140.732  70.731     82.026   21.413  10.144  20.616  8.9207  0.7972641      13.50881 
1 1 1 -21 -37 35 o 15.918  7.3717  -1.7186    67.501   207.949    137.776  -67.9419   77.431   26.356  11.482  14.222  6.9318  12.13343       13.41237 
1 1 1 -21 -37 36 o 40.740  6.6507  257.327    63.475   173.050    127.238  285.250    73.240   25.113  10.985  41.727  7.5100  -16.61410      13.30672 
1 1 1 -21 -37 37 o 17.716  7.4131  42.050     53.412   15.095     99.730   52.892     63.247   18.378  8.6561  18.914  7.9986  -0.5353394     11.78579 
1 1 1 -21 -37 38 o 13.603  6.3411  -15.2446   51.246   -50.5869   117.084  -6.8697    56.995   17.190  8.4096  14.651  6.7809  2.539066       10.80289 
1 1 1 -21 -37 39 o 27.208  8.0998  134.150    57.450   41.636     107.559  171.079    67.956   19.448  9.1056  29.934  8.7831  -10.48548      12.65129 
1 1 1 -21 -37 40 o 26.138  10.077  162.136    90.381   225.584    202.602  146.373    100.986  24.017  11.587  24.339  10.189  -0.3218327     15.42957 
1 1 1 -21 -37 41 o 37.549  10.489  309.161    99.243   298.646    205.010  312.380    113.418  25.369  12.083  34.732  11.529  -9.362385      16.70111 
1 1 1 -21 -37 42 o 21.515  9.0428  93.796     80.041   -139.1416  185.246  147.265    88.753   17.919  9.0394  24.913  9.8725  -6.994543      13.38571 
1 1 1 -21 -37 43 o 12.766  6.2595  -72.4221   65.976   -9.4108    106.462  -111.7090  84.064   17.481  8.4250  13.401  6.6599  4.080166       10.73939 
1 1 1 -21 -37 44 o 28.977  8.3921  158.454    62.402   210.782    123.349  140.456    72.342   26.086  11.107  25.630  9.1752  0.4563942      14.40629 
1 1 1 -21 -37 45 o 16.112  7.1721  22.219     56.521   -83.5547   121.065  51.699     63.914   16.309  8.0860  18.446  7.9278  -2.137383      11.32399 
1 1 1 -21 -37 46 o 25.218  8.4224  124.263    60.501   162.895    125.422  112.548    69.068   23.605  10.583  23.240  8.8459  0.3650475      13.79277 
1 1 1 -21 -37 47 o 23.783  8.8408  117.727    68.097   66.406     204.065  124.159    72.238   20.666  10.288  24.042  9.0717  -3.376360      13.71611 
1 1 1 -21 -37 48 o 25.877  8.4168  130.079    60.562   217.655    132.392  106.903    68.106   25.691  11.223  22.796  8.7584  2.895700       14.23565 
1 1 1 -21 -37 49 o 21.063  9.8779  94.853     127.465  94.853     127.465  0.0000     0.0000   21.063  9.8779  ?       ?       0.000000       9.877944 
1 1 1 -21 -37 50 o 14.762  7.3950  -146.0002  113.017  -146.0002  113.017  0.0000     0.0000   14.762  7.3950  ?       ?       0.000000       7.395012 
1 1 1 -21 -37 51 o 21.065  10.330  88.135     179.936  88.135     179.936  0.0000     0.0000   21.065  10.330  ?       ?       0.000000       10.33022 
1 1 1 -21 -37 52 o 22.667  9.3669  114.460    83.769   64.851     170.947  130.137    96.098   20.526  10.066  23.170  9.8323  -2.643904      14.07151 
1 1 1 -21 -37 53 o 16.199  7.2650  21.510     59.168   85.451     162.599  11.751     63.523   20.764  10.104  15.917  7.2909  4.846825       12.45949 
1 1 1 -21 -37 54 o 20.208  7.9875  75.605     57.959   81.358     136.953  74.350     63.969   20.386  9.7556  19.992  8.2150  0.3948174      12.75375 
1 1 1 -21 -37 55 o 10.923  5.3143  -49.9576   44.945   -105.5074  128.510  -42.2157   47.975   15.955  7.9770  11.649  5.6245  4.305707       9.760500 
1 1 1 -21 -37 56 o 15.576  7.5468  -25.6917   88.215   -23.0555   217.992  -26.2080   96.466   18.841  9.5358  15.984  7.7786  2.856881       12.30604 
1 1 1 -21 -37 57 o 20.966  9.3794  115.741    97.964   364.855    233.757  62.667     107.896  22.839  11.308  18.744  8.8806  4.095369       14.37814 
1 1 1 -21 -36 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -36 2  o 17.500  7.5824  42.128     59.422   0.0000     0.0000   42.128     59.422   ?       ?       17.500  7.5824  0.000000       7.582433 
1 1 1 -21 -36 3  o 14.024  6.5004  -6.7873    52.663   0.0000     0.0000   -6.7873    52.663   ?       ?       14.024  6.5004  0.000000       6.500354 
1 1 1 -21 -36 4  o 14.740  6.4030  17.607     42.588   0.0000     0.0000   17.607     42.588   ?       ?       14.740  6.4030  0.000000       6.403022 
1 1 1 -21 -36 5  o 16.584  6.8326  36.575     44.395   0.0000     0.0000   36.575     44.395   ?       ?       16.584  6.8326  0.000000       6.832645 
1 1 1 -21 -36 6  o 16.232  6.9629  29.598     49.139   0.0000     0.0000   29.598     49.139   ?       ?       16.232  6.9629  0.000000       6.962904 
1 1 1 -21 -36 7  o 32.570  7.8000  185.526    60.828   0.0000     0.0000   185.526    60.828   ?       ?       32.570  7.8000  0.000000       7.799962 
1 1 1 -21 -36 8  o 34.061  7.0202  189.964    56.089   59.105     135.287  217.126    61.636   20.098  9.6383  36.118  7.2845  -16.01993      12.08139 
1 1 1 -21 -36 9  o 15.441  6.6370  23.885     44.804   80.313     111.047  12.913     48.966   20.571  9.5010  14.939  6.6610  5.631289       11.60335 
1 1 1 -21 -36 10 o 15.977  6.7399  29.973     44.728   45.202     114.918  27.254     48.557   19.404  9.1850  15.993  6.8920  3.410121       11.48322 
1 1 1 -21 -36 11 o 19.578  8.1114  65.818     63.053   76.620     124.732  62.110     73.077   20.599  9.6954  19.408  8.4089  1.191263       12.83397 
1 1 1 -21 -36 12 o 22.819  9.3838  113.752    83.542   175.069    226.917  104.137    89.853   22.568  11.168  22.009  9.4278  0.5591831      14.61526 
1 1 1 -21 -36 13 o 20.835  8.5020  80.388     67.918   206.017    217.508  66.816     71.493   23.311  11.416  19.828  8.4493  3.482677       14.20290 
1 1 1 -21 -36 14 o 21.987  7.8169  86.442     52.422   262.487    165.846  66.900     55.255   26.350  11.958  19.856  7.8146  6.494848       14.28510 
1 1 1 -21 -36 15 o 14.205  6.4633  -0.4141    48.858   -29.5305   106.241  7.3952     55.021   17.193  8.3183  15.284  6.9165  1.909177       10.81814 
1 1 1 -21 -36 16 o 18.992  7.5588  56.462     52.236   67.810     109.303  53.103     59.467   20.683  9.5070  18.850  7.8490  1.833904       12.32842 
1 1 1 -21 -36 17 o 14.853  6.8925  -9.2150    59.458   12.755     106.968  -19.0381   71.526   18.709  8.8578  15.462  7.2971  3.246785       11.47639 
1 1 1 -21 -36 18 o 33.669  6.7061  176.417    52.861   228.559    122.865  164.574    58.557   28.729  11.538  31.211  7.7642  -2.482487      13.90746 
1 1 1 -21 -36 19 o 33.440  9.2346  211.239    77.399   252.839    169.370  200.259    87.016   27.115  12.215  30.785  10.093  -3.669865      15.84523 
1 1 1 -21 -36 20 o 13.923  6.5808  -28.8637   58.576   -83.7043   147.928  -18.6660   63.790   18.287  9.0437  14.932  6.9980  3.355184       11.43501 
1 1 1 -21 -36 21 o 48.335  7.8727  382.566    89.154   433.710    183.182  366.691    102.057  34.064  13.939  44.205  9.7746  -10.14033      17.02427 
1 1 1 -21 -36 22 f 11.249  5.3883  -40.0555   42.018   -29.0345   142.780  -41.1005   43.965   19.352  9.4279  11.499  5.5090  7.853738       10.91941 
1 1 1 -21 -36 23 o 31.417  7.0163  155.073    52.135   195.850    109.512  143.123    59.285   28.533  11.067  28.847  8.1241  -0.3139286     13.72845 
1 1 1 -21 -36 24 o 21.034  7.4312  71.344     47.305   96.217     103.929  64.844     53.127   22.755  9.9415  20.262  7.7472  2.493559       12.60367 
1 1 1 -21 -36 25 o 24.984  7.5889  103.602    50.058   187.988    107.662  80.327     56.542   28.301  10.974  21.868  8.0703  6.432549       13.62186 
1 1 1 -21 -36 26 o 18.485  7.2570  48.256     47.540   1.1755     105.434  60.270     53.262   18.810  8.8717  19.850  7.7125  -1.039595      11.75536 
1 1 1 -21 -36 27 o 31.646  7.1221  157.423    53.368   238.402    110.856  132.994    60.888   31.848  11.363  27.573  8.3682  4.275011       14.11149 
1 1 1 -21 -36 28 o 36.552  6.4169  199.599    54.836   164.761    114.558  209.954    62.456   26.518  10.956  36.510  7.3051  -9.992540      13.16778 
1 1 1 -21 -36 29 o 27.786  7.4813  125.730    51.561   2.9224     111.618  159.046    58.136   19.191  9.0747  31.138  7.7304  -11.94699      11.92096 
1 1 1 -21 -36 30 o 13.931  6.3168  -4.5132    46.160   -28.1811   103.615  1.3471     51.559   17.764  8.4966  14.939  6.7337  2.825249       10.84140 
1 1 1 -21 -36 31 o 14.063  6.3526  -2.5116    46.175   53.249     103.630  -16.3245   51.578   20.791  9.4419  13.872  6.4310  6.918714       11.42400 
1 1 1 -21 -36 32 o 15.949  6.8006  22.144     46.369   11.251     102.702  24.933     51.968   19.029  8.9057  16.639  7.1497  2.390160       11.42063 
1 1 1 -21 -36 33 o 26.087  9.3224  131.458    74.651   56.275     150.943  155.802    85.891   21.851  10.397  27.444  9.9744  -5.592419      14.40773 
1 1 1 -21 -36 34 o 21.793  8.7813  81.732     71.414   106.792    141.017  73.088     82.819   23.234  10.723  21.257  9.0770  1.977022       14.04873 
1 1 1 -21 -36 35 o 20.021  8.4839  58.684     71.383   91.216     149.326  49.047     81.270   22.684  10.655  19.725  8.6988  2.959095       13.75494 
1 1 1 -21 -36 36 o 43.854  6.7463  294.052    69.486   114.335    166.782  331.799    76.436   23.297  11.039  46.201  7.0409  -22.90450      13.09307 
1 1 1 -21 -36 37 o 14.257  6.4746  -2.5628    48.730   50.457     91.509   -23.5482   57.571   20.006  8.9989  14.081  6.6148  5.925070       11.16853 
1 1 1 -21 -36 38 o 46.140  6.6397  325.140    72.193   272.905    162.849  337.917    80.540   28.374  12.419  45.815  7.5050  -17.44073      14.51061 
1 1 1 -21 -36 39 o 32.127  8.0645  177.493    62.770   270.426    127.106  147.520    72.186   31.089  11.960  27.390  9.1997  3.699108       15.08908 
1 1 1 -21 -36 40 o 18.948  7.6215  54.490     53.692   76.908     111.061  47.653     61.336   21.292  9.7099  18.605  7.8730  2.686342       12.50062 
1 1 1 -21 -36 41 o 21.237  9.4129  81.025     96.341   0.0000     0.0000   81.025     96.341   ?       ?       21.237  9.4129  0.000000       9.412917 
1 1 1 -21 -36 42 o 22.159  9.3725  98.648     86.863   -32.6707   186.229  135.161    98.200   19.795  9.8500  24.137  10.072  -4.342142      14.08753 
1 1 1 -21 -36 43 o 14.951  6.7504  6.3464     52.067   13.706     117.620  4.5527     58.066   18.894  9.0413  15.373  7.0145  3.521479       11.44327 
1 1 1 -21 -36 44 o 21.638  8.2473  86.305     60.087   75.253     124.128  89.688     68.669   20.880  9.7779  21.679  8.6545  -0.7989140     13.05780 
1 1 1 -21 -36 45 o 24.592  8.3872  115.217    60.008   134.314    127.455  109.778    68.018   22.916  10.432  23.404  8.8088  -0.4881172     13.65339 
1 1 1 -21 -36 46 o 11.168  5.4539  -60.2331   48.594   -157.2707  111.287  -37.3721   54.016   14.566  7.3029  12.782  6.1192  1.784004       9.527719 
1 1 1 -21 -36 47 o 24.457  9.5116  132.991    81.067   115.442    132.304  143.540    102.578  22.043  10.247  23.972  10.165  -1.929129      14.43317 
1 1 1 -21 -36 48 o 25.372  11.176  202.098    133.728  202.098    133.728  0.0000     0.0000   25.372  11.176  ?       ?       0.000000       11.17555 
1 1 1 -21 -36 49 o 21.239  9.9512  91.313     128.856  91.313     128.856  0.0000     0.0000   21.239  9.9512  ?       ?       0.000000       9.951218 
1 1 1 -21 -36 50 o 38.078  7.7052  246.031    68.747   215.952    139.378  255.702    79.029   25.741  11.370  36.861  8.9301  -11.12022      14.45760 
1 1 1 -21 -36 51 o 14.416  6.9034  -34.8081   68.854   -41.1227   123.341  -31.9493   82.990   17.545  8.5935  15.632  7.5102  1.913701       11.41275 
1 1 1 -21 -36 52 o 12.301  5.9986  -62.8284   58.221   -38.8269   167.700  -66.1178   62.083   18.993  9.4335  12.623  6.1644  6.369287       11.26899 
1 1 1 -21 -36 53 o 23.472  9.1969  116.777    76.226   108.601    183.789  118.476    83.770   21.750  10.618  23.230  9.4564  -1.479937      14.21836 
1 1 1 -21 -36 54 o 17.407  7.5071  38.777     57.699   -32.2004   130.812  55.922     64.291   17.890  8.7800  18.864  8.0247  -0.9741306     11.89475 
1 1 1 -21 -36 55 o 17.408  7.4619  40.833     56.358   81.888     133.259  31.891     62.194   20.641  9.8056  17.048  7.5594  3.592651       12.38124 
1 1 1 -21 -36 56 o 17.916  8.4838  22.898     98.196   102.893    220.616  3.1342     109.657  20.871  10.437  17.680  8.5281  3.191149       13.47832 
1 1 1 -21 -36 57 o 16.948  8.0202  13.342     87.494   17.656     244.249  12.707     93.713   19.614  9.9447  17.168  8.1752  2.445549       12.87363 
1 1 1 -21 -35 1  o 19.921  5.2534  59.003     25.757   0.0000     0.0000   59.003     25.757   ?       ?       19.921  5.2534  0.000000       5.253375 
1 1 1 -21 -35 2  o 17.615  6.9437  46.260     43.690   0.0000     0.0000   46.260     43.690   ?       ?       17.615  6.9437  0.000000       6.943715 
1 1 1 -21 -35 3  o 10.887  5.3333  -64.4672   47.583   0.0000     0.0000   -64.4672   47.583   ?       ?       10.887  5.3333  0.000000       5.333298 
1 1 1 -21 -35 4  o 16.220  6.7340  32.127     43.586   0.0000     0.0000   32.127     43.586   ?       ?       16.220  6.7340  0.000000       6.734007 
1 1 1 -21 -35 5  f 13.488  6.0648  1.9736     41.526   0.0000     0.0000   1.9736     41.526   ?       ?       13.488  6.0648  0.000000       6.064837 
1 1 1 -21 -35 6  o 18.162  7.2846  50.361     48.898   0.0000     0.0000   50.361     48.898   ?       ?       18.162  7.2846  0.000000       7.284574 
1 1 1 -21 -35 7  o 21.651  7.5127  81.962     48.219   323.878    125.407  39.993     52.234   33.493  12.071  17.340  7.2975  16.15282       14.10523 
1 1 1 -21 -35 8  o 20.491  7.3320  71.403     46.191   41.973     121.589  76.366     49.935   19.690  9.3576  20.924  7.6052  -1.234182      12.05837 
1 1 1 -21 -35 9  o 29.880  7.1548  147.381    51.187   155.166    117.976  145.576    56.813   24.152  10.571  28.684  7.9078  -4.532396      13.20137 
1 1 1 -21 -35 10 o 26.609  7.6420  122.977    51.941   179.676    128.788  111.962    56.762   25.004  10.992  24.658  8.1547  0.3461494      13.68626 
1 1 1 -21 -35 11 o 22.389  7.9346  89.646     53.972   -0.6925    123.114  111.139    60.050   18.735  9.0370  24.344  8.3874  -5.609034      12.32946 
1 1 1 -21 -35 12 f 17.392  7.8025  25.504     68.302   -207.5480  198.338  56.861     72.752   18.015  9.1154  19.495  8.4185  -1.480024      12.40813 
1 1 1 -21 -35 13 o 23.050  8.6101  99.351     64.745   45.929     162.023  109.503    70.629   21.056  10.208  23.710  8.9644  -2.654512      13.58572 
1 1 1 -21 -35 14 o 17.294  7.7047  24.091     65.375   -88.1240   148.985  50.850     72.754   18.161  8.9981  19.314  8.3792  -1.152468      12.29540 
1 1 1 -21 -35 15 o 31.945  7.6174  168.305    58.212   256.538    122.255  142.435    66.199   31.102  11.786  27.707  8.7789  3.395267       14.69588 
1 1 1 -21 -35 16 o 37.392  6.2404  208.186    54.624   230.931    121.827  202.463    61.111   29.707  11.630  35.659  7.3085  -5.951769      13.73614 
1 1 1 -21 -35 17 f 24.325  7.2943  96.412     46.467   15.946     114.006  112.442    50.885   19.617  9.2440  26.025  7.5900  -6.408463      11.96079 
1 1 1 -21 -35 18 o 13.987  6.2102  3.3631     42.106   18.893     112.222  0.8187     45.424   19.750  9.2640  14.206  6.3688  5.543600       11.24208 
1 1 1 -21 -35 19 o 30.630  6.9532  145.654    50.495   138.614    113.785  147.381    56.348   25.190  10.695  30.011  7.7000  -4.821287      13.17829 
1 1 1 -21 -35 20 o 28.493  9.4172  153.625    75.702   598.212    167.515  39.526     84.862   49.269  13.577  19.646  8.7636  29.62287       16.15985 
1 1 1 -21 -35 21 o 20.962  8.4550  67.988     66.278   195.871    150.987  37.464     73.765   27.212  11.933  19.061  8.3502  8.151100       14.56449 
1 1 1 -21 -35 22 o 24.917  9.0540  112.200    70.766   257.826    158.646  76.027     79.069   29.790  12.637  21.829  9.0668  7.961540       15.55305 
1 1 1 -21 -35 23 o 13.643  6.1364  -3.5160    42.547   117.829    99.212   -30.8618   47.098   24.656  10.192  12.607  5.9411  12.04864       11.79690 
1 1 1 -21 -35 24 o 20.350  7.4589  62.968     48.176   90.285     104.678  55.627     54.264   23.107  10.038  19.697  7.7467  3.410118       12.67955 
1 1 1 -21 -35 25 o 31.143  6.9557  148.317    51.235   214.524    108.887  129.491    58.064   31.151  11.244  27.890  8.1003  3.260691       13.85833 
1 1 1 -21 -35 26 o 14.277  6.3621  1.0401     44.604   -24.4214   100.188  7.3342     49.813   18.039  8.5497  15.344  6.7863  2.694816       10.91565 
1 1 1 -21 -35 27 o 23.088  7.5043  84.989     48.147   140.447    104.751  70.135     54.212   26.174  10.604  21.217  7.8879  4.957411       13.21606 
1 1 1 -21 -35 28 o 34.272  6.8290  176.938    54.794   142.422    113.073  187.531    62.640   26.092  10.840  34.385  7.6995  -8.292944      13.29654 
1 1 1 -21 -35 29 o 21.044  7.5626  68.535     49.192   38.633     103.384  77.286     55.929   20.679  9.4063  21.974  8.0393  -1.295160      12.37368 
1 1 1 -21 -35 30 o 11.192  5.3974  -50.4651   43.874   -14.4102   96.142   -59.9486   49.308   18.140  8.5301  11.621  5.6337  6.518940       10.22261 
1 1 1 -21 -35 31 o 27.191  7.8092  120.671    54.239   155.507    113.956  110.467    61.673   26.785  10.981  25.365  8.5034  1.420303       13.88833 
1 1 1 -21 -35 32 o 28.285  7.8004  130.326    55.268   159.102    115.128  121.708    63.003   26.908  11.035  26.501  8.5822  0.4067764      13.97923 
1 1 1 -21 -35 33 o 14.648  6.5626  0.5833     48.143   -27.2322   105.388  7.9186     54.120   18.204  8.6685  15.795  7.0255  2.408222       11.15799 
1 1 1 -21 -35 34 o 19.785  8.3435  50.970     68.509   45.334     135.774  52.895     79.352   21.781  10.208  20.333  8.7862  1.448019       13.46874 
1 1 1 -21 -35 35 o 21.281  8.8940  69.220     76.755   157.520    140.788  31.877     91.558   25.894  11.433  19.659  8.9069  6.235609       14.49296 
1 1 1 -21 -35 36 o 33.465  10.535  228.738    95.453   323.178    157.563  173.983    119.975  32.911  13.119  27.196  11.222  5.714853       17.26339 
1 1 1 -21 -35 37 o 27.901  8.5216  136.542    62.994   176.209    118.642  120.969    74.338   27.245  11.191  25.372  9.2705  1.873220       14.53191 
1 1 1 -21 -35 38 o 13.102  6.1968  -32.7569   52.092   39.949     105.482  -56.2081   59.907   20.350  9.3485  13.069  6.3039  7.281020       11.27538 
1 1 1 -21 -35 39 o 25.649  8.3084  115.420    59.044   248.923    121.118  73.803     67.624   31.373  11.765  21.213  8.5459  10.16034       14.54134 
1 1 1 -21 -35 40 o 44.493  6.4889  297.174    67.991   314.583    130.745  290.721    79.602   34.548  12.338  41.822  8.1372  -7.273678      14.77995 
1 1 1 -21 -35 41 o 13.966  6.8185  -77.1277   75.842   -53.2488   168.631  -83.1826   84.915   19.666  9.7124  14.618  7.1537  5.047325       12.06260 
1 1 1 -21 -35 42 o 18.928  8.5477  35.678     83.521   58.270     180.383  29.513     94.231   21.857  10.637  19.084  8.7924  2.772951       13.80035 
1 1 1 -21 -35 43 o 15.031  7.1886  -37.3975   74.114   71.740     176.931  -60.6226   81.620   21.916  10.635  14.886  7.2235  7.030044       12.85625 
1 1 1 -21 -35 44 o 16.620  7.2066  26.675     53.756   -76.0613   119.646  52.659     60.172   16.933  8.3278  18.938  7.8914  -2.005299      11.47286 
1 1 1 -21 -35 45 f 24.243  8.3426  108.760    59.401   45.866     121.505  128.512    68.092   20.180  9.5196  25.588  8.9248  -5.408302      13.04896 
1 1 1 -21 -35 46 o 17.635  8.5640  -31.8103   115.274  -31.8103   115.274  0.0000     0.0000   17.635  8.5640  ?       ?       0.000000       8.564014 
1 1 1 -21 -35 47 o 26.122  11.322  205.026    132.593  205.026    132.593  0.0000     0.0000   26.122  11.322  ?       ?       0.000000       11.32240 
1 1 1 -21 -35 48 o 18.729  9.0109  4.4695     120.493  4.4695     120.493  0.0000     0.0000   18.729  9.0109  ?       ?       0.000000       9.010921 
1 1 1 -21 -35 49 o 16.810  7.4068  26.926     58.795   -46.9309   198.522  34.027     61.556   19.699  9.8587  17.442  7.6348  2.257328       12.46933 
1 1 1 -21 -35 50 o 15.267  6.9113  7.2255     54.992   204.290    127.660  -37.6744   60.936   26.304  11.252  13.601  6.5083  12.70264       12.99834 
1 1 1 -21 -35 51 o 28.208  8.4655  147.813    62.567   -48.9074   132.217  204.577    71.023   17.894  8.7913  33.300  8.6958  -15.40585      12.36542 
1 1 1 -21 -35 52 o 20.027  8.5890  65.718     74.740   62.183     164.968  66.631     83.838   21.138  10.260  20.211  8.8767  0.9273338      13.56723 
1 1 1 -21 -35 53 f 12.969  6.2828  -55.0925   61.092   92.304     157.923  -81.0317   66.249   21.772  10.434  12.673  6.2257  9.098694       12.14999 
1 1 1 -21 -35 54 o 13.600  6.4281  -25.3999   55.897   1.5771     134.412  -31.0409   61.464   19.078  9.2607  13.931  6.6299  5.147505       11.38928 
1 1 1 -21 -35 55 o 16.468  7.1436  28.198     52.860   -52.6450   135.037  42.827     57.444   17.782  8.7651  17.812  7.5816  -0.3026772E-01 11.58910 
1 1 1 -21 -35 56 o 22.658  8.3686  99.135     60.822   318.522    142.295  50.091     67.278   30.241  12.319  18.526  8.0476  11.71535       14.71483 
1 1 1 -21 -35 57 o 13.892  6.8658  -89.6920   84.795   0.0000     0.0000   -89.6920   84.795   ?       ?       13.892  6.8658  0.000000       6.865762 
1 1 1 -21 -35 58 o 15.044  7.3444  -48.0906   87.950   0.0000     0.0000   -48.0906   87.950   ?       ?       15.044  7.3444  0.000000       7.344407 
1 1 1 -21 -34 1  o 15.779  6.9497  18.587     51.703   0.0000     0.0000   18.587     51.703   ?       ?       15.779  6.9497  0.000000       6.949671 
1 1 1 -21 -34 2  o 38.636  6.1680  225.367    55.879   0.0000     0.0000   225.367    55.879   ?       ?       38.636  6.1680  0.000000       6.168019 
1 1 1 -21 -34 3  o 19.696  8.1698  63.190     64.071   0.0000     0.0000   63.190     64.071   ?       ?       19.696  8.1698  0.000000       8.169763 
1 1 1 -21 -34 4  o 18.659  7.9960  49.323     64.686   0.0000     0.0000   49.323     64.686   ?       ?       18.659  7.9960  0.000000       7.996031 
1 1 1 -21 -34 5  o 24.844  7.5298  106.517    49.321   0.0000     0.0000   106.517    49.321   ?       ?       24.844  7.5298  0.000000       7.529778 
1 1 1 -21 -34 6  o 18.112  7.0011  49.631     43.716   73.007     112.578  45.481     47.439   20.861  9.6107  17.780  7.1596  3.080608       11.98438 
1 1 1 -21 -34 7  o 24.376  7.4018  101.161    47.627   18.332     121.792  116.114    51.748   19.267  9.2145  25.858  7.6849  -6.591549      11.99851 
1 1 1 -21 -34 8  o 35.027  6.3807  187.665    52.231   323.114    119.571  155.725    58.064   35.534  11.840  30.046  7.8705  5.487844       14.21698 
1 1 1 -21 -34 9  o 40.764  5.8610  244.665    56.304   272.714    126.385  237.719    62.890   31.056  11.931  38.906  6.9154  -7.849834      13.79048 
1 1 1 -21 -34 10 o 18.360  7.1931  49.603     46.626   101.711    119.210  40.192     50.662   22.514  10.185  17.610  7.2812  4.904022       12.52016 
1 1 1 -21 -34 11 o 18.180  7.3395  45.891     49.992   -32.8532   120.564  62.241     54.938   18.242  8.8345  19.863  7.8002  -1.621042      11.78524 
1 1 1 -21 -34 12 o 26.757  7.3361  116.814    49.052   33.605     119.876  133.548    53.758   20.321  9.5458  28.355  7.6410  -8.034111      12.22729 
1 1 1 -21 -34 13 o 23.870  8.5037  101.229    62.069   57.493     150.780  110.152    68.108   21.919  10.418  24.466  8.8835  -2.546528      13.69129 
1 1 1 -21 -34 14 o 17.555  7.8196  20.892     67.310   30.548     154.706  18.638     74.756   21.470  10.299  17.921  8.0904  3.548559       13.09667 
1 1 1 -21 -34 15 o 27.311  6.8714  115.660    45.497   247.821    154.276  103.072    47.614   29.281  12.443  25.330  7.3290  3.950844       14.44104 
1 1 1 -21 -34 16 f 21.181  6.8819  69.147     40.492   95.576     114.768  65.389     43.275   23.319  10.308  20.606  7.1190  2.713352       12.52728 
1 1 1 -21 -34 17 o 30.787  6.2565  139.502    45.144   85.965     119.680  148.383    48.745   23.075  10.342  31.472  6.5942  -8.397129      12.26535 
1 1 1 -21 -34 18 o 15.746  6.5833  21.965     42.074   184.695    100.492  -12.6237   46.330   29.642  10.787  13.586  6.2245  16.05543       12.45365 
1 1 1 -21 -34 19 o 35.499  6.1885  182.588    51.367   129.398    108.072  198.112    58.383   25.574  10.609  36.337  6.8735  -10.76332      12.64138 
1 1 1 -21 -34 20 o 38.570  6.0580  213.113    54.827   296.293    114.410  188.317    62.466   37.745  11.475  34.679  7.6307  3.065735       13.78017 
1 1 1 -21 -34 21 o 22.745  8.8734  83.527     70.723   56.012     160.025  90.206     78.841   23.238  10.951  23.313  9.2838  -0.7439995E-01 14.35663 
1 1 1 -21 -34 22 f 13.031  6.2445  -52.2026   56.543   -194.8849  150.498  -28.7524   61.013   17.503  8.7328  14.641  6.8560  2.861876       11.10253 
1 1 1 -21 -34 23 o 19.914  8.3685  47.507     68.528   164.964    165.145  23.076     75.318   27.009  12.124  18.736  8.3129  8.272572       14.69984 
1 1 1 -21 -34 24 o 26.862  7.3455  111.961    49.253   116.410    103.978  110.673    55.925   25.259  10.437  26.147  8.0366  -0.8874741     13.17234 
1 1 1 -21 -34 25 o 13.574  6.1293  -7.4801    42.939   -101.2220  96.319   15.770     47.969   15.697  7.6680  15.965  6.8650  -0.2689190     10.29205 
1 1 1 -21 -34 26 o 11.335  5.3996  -39.3341   40.968   -7.7612    96.711   -46.2387   45.226   18.790  8.7433  11.692  5.5979  7.098176       10.38175 
1 1 1 -21 -34 27 o 16.748  6.8374  28.735     43.953   -96.1140   98.033   60.145     49.172   15.999  7.7981  20.359  7.5235  -4.360427      10.83574 
1 1 1 -21 -34 28 o 10.487  5.0908  -56.0060   40.636   -103.1095  94.075   -45.2012   45.056   15.467  7.5606  11.716  5.6037  3.750813       9.410827 
1 1 1 -21 -34 29 o 19.697  7.4537  54.254     48.858   84.538     101.744  45.177     55.701   23.433  10.035  19.116  7.7368  4.316936       12.67101 
1 1 1 -21 -34 30 o 18.542  7.4075  42.429     50.341   26.007     106.555  47.147     57.118   20.719  9.4728  19.357  7.8344  1.362392       12.29281 
1 1 1 -21 -34 31 o 14.402  6.4825  -4.5685    47.584   127.440    103.405  -40.0310   53.595   25.989  10.533  13.206  6.2575  12.78299       12.25190 
1 1 1 -21 -34 32 o 16.287  7.0163  17.084     50.290   131.307    102.421  -19.2040   57.729   26.210  10.532  14.766  6.8308  11.44352       12.55318 
1 1 1 -21 -34 33 o 20.900  7.8610  65.022     54.149   86.694     109.845  58.064     62.237   23.522  10.250  20.461  8.2142  3.060717       13.13517 
1 1 1 -21 -34 34 o 27.034  9.6285  133.647    79.571   126.745    113.397  140.341    111.682  25.618  10.765  26.444  10.859  -0.8259621     15.29090 
1 1 1 -21 -34 35 o 29.516  10.311  170.397    90.913   264.248    149.885  115.773    114.349  31.726  12.744  24.910  10.652  6.816086       16.60918 
1 1 1 -21 -34 36 o 33.134  10.264  210.934    91.024   278.952    156.476  176.146    111.906  31.857  12.941  28.502  11.150  3.354736       17.08215 
1 1 1 -21 -34 37 f 17.205  7.5636  18.505     60.996   37.300     138.839  14.010     67.899   21.890  10.279  17.478  7.8146  4.411732       12.91262 
1 1 1 -21 -34 38 o 30.613  7.9869  153.328    59.951   314.166    117.899  97.237     69.624   38.190  11.657  23.704  8.9141  14.48604       14.67449 
1 1 1 -21 -34 39 o 30.140  8.0666  150.464    60.157   208.629    121.903  131.739    69.165   29.514  11.610  27.041  9.0045  2.473215       14.69261 
1 1 1 -21 -34 40 o 28.165  8.1412  133.808    58.777   113.786    119.229  140.236    67.557   24.114  10.589  27.982  8.8687  -3.867769      13.81211 
1 1 1 -21 -34 41 o 12.646  6.0137  -38.0563   50.362   -10.1461   109.670  -45.5148   56.693   18.791  8.9177  13.136  6.2835  5.655580       10.90907 
1 1 1 -21 -34 42 o 19.831  8.6648  49.367     78.967   -184.7677  180.770  104.583    87.786   18.395  9.2345  23.499  9.6361  -5.103464      13.34659 
1 1 1 -21 -34 43 o 25.257  10.034  133.450    91.902   -85.1394   194.164  196.560    104.328  20.062  9.9946  29.106  10.918  -9.044880      14.80218 
1 1 1 -21 -34 44 o 16.693  7.3316  21.587     57.190   -74.4592   118.715  50.614     65.262   17.197  8.4247  19.205  8.1236  -2.008116      11.70332 
1 1 1 -21 -34 45 o 22.716  10.234  103.155    118.927  103.155    118.927  0.0000     0.0000   22.716  10.234  ?       ?       0.000000       10.23447 
1 1 1 -21 -34 46 o 26.411  11.311  192.199    129.282  192.199    129.282  0.0000     0.0000   26.411  11.311  ?       ?       0.000000       11.31081 
1 1 1 -21 -34 47 o 32.098  12.639  324.379    144.594  324.379    144.594  0.0000     0.0000   32.098  12.639  ?       ?       0.000000       12.63864 
1 1 1 -21 -34 48 o 19.891  8.1039  64.169     61.585   57.978     123.973  66.197     70.960   20.713  9.7226  20.162  8.4963  0.5512295      12.91190 
1 1 1 -21 -34 49 o 12.970  6.0765  -21.0545   48.038   -120.6740  124.241  -3.5433    52.089   16.239  8.0748  14.430  6.6070  1.808835       10.43335 
1 1 1 -21 -34 50 o 23.196  8.3932  99.600     60.720   82.248     132.357  104.226    68.335   21.553  10.094  23.246  8.8107  -1.692852      13.39869 
1 1 1 -21 -34 51 o 16.457  7.2805  21.144     57.368   96.444     129.584  2.7885     63.979   22.045  10.211  15.871  7.2871  6.174064       12.54430 
1 1 1 -21 -34 52 o 25.142  9.1066  125.992    71.507   -199.1017  173.843  192.198    78.451   17.353  8.7545  30.973  9.5182  -13.61971      12.93205 
1 1 1 -21 -34 53 o 19.322  8.5225  50.043     78.034   300.570    179.430  -8.3934    86.659   27.923  12.576  17.000  8.0257  10.92278       14.91913 
1 1 1 -21 -34 54 o 22.303  8.4904  91.406     63.634   398.628    197.846  55.957     67.205   29.982  13.377  19.365  8.2203  10.61739       15.70101 
1 1 1 -21 -34 55 o 12.038  5.8294  -53.2562   52.449   -24.1531   134.680  -58.4591   56.945   18.660  9.1051  12.400  6.0209  6.260567       10.91582 
1 1 1 -21 -34 56 o 18.654  7.6573  52.771     55.504   -263.5753  146.451  105.830    59.978   15.206  7.7086  23.728  8.3692  -8.522256      11.37836 
1 1 1 -21 -34 57 o 14.264  7.0234  -85.1315   85.942   0.0000     0.0000   -85.1315   85.942   ?       ?       14.264  7.0234  0.000000       7.023355 
1 1 1 -21 -34 58 o 14.905  7.3510  -80.8892   95.440   0.0000     0.0000   -80.8892   95.440   ?       ?       14.905  7.3510  0.000000       7.351022 
1 1 1 -21 -33 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -33 2  o 10.984  5.3444  -56.0135   45.473   0.0000     0.0000   -56.0135   45.473   ?       ?       10.984  5.3444  0.000000       5.344396 
1 1 1 -21 -33 3  o 9.1113  4.4701  -54.5322   33.806   0.0000     0.0000   -54.5322   33.806   ?       ?       9.1113  4.4701  0.000000       4.470078 
1 1 1 -21 -33 4  o 13.653  6.4657  -29.0971   57.075   0.0000     0.0000   -29.0971   57.075   ?       ?       13.653  6.4657  0.000000       6.465677 
1 1 1 -21 -33 5  o 12.050  5.5798  -15.1158   38.661   -104.0823  124.664  -5.6490    40.666   16.640  8.2418  12.973  5.9004  3.666818       10.13618 
1 1 1 -21 -33 6  o 19.979  7.0257  63.787     42.237   48.670     109.550  66.427     45.776   20.235  9.3778  20.232  7.2926  0.2975464E-02  11.87961 
1 1 1 -21 -33 7  o 23.215  7.3353  89.497     46.242   109.815    114.970  85.576     50.508   22.989  10.232  22.431  7.6943  0.5586052      12.80192 
1 1 1 -21 -33 8  o 12.736  5.7547  -4.7592    37.918   -237.4183  97.552   36.648     41.154   12.607  6.3805  16.853  6.7087  -4.245998      9.258371 
1 1 1 -21 -33 9  o 12.349  5.7034  -15.3294   40.014   24.962     109.040  -21.5996   43.015   19.733  9.2159  12.407  5.7926  7.325347       10.88513 
1 1 1 -21 -33 10 o 23.716  7.6046  92.924     49.560   -13.2217   117.850  115.729    54.625   18.998  9.0797  26.174  7.9223  -7.176332      12.05005 
1 1 1 -21 -33 11 o 18.018  7.0380  43.955     44.534   67.902     116.153  39.828     48.219   21.948  9.9784  17.788  7.1987  4.159883       12.30406 
1 1 1 -21 -33 12 o 18.310  6.9578  46.669     42.687   61.214     102.531  43.620     46.949   21.501  9.6088  18.167  7.1863  3.333635       11.99881 
1 1 1 -21 -33 13 o 26.477  8.9550  124.852    68.403   56.613     109.879  168.032    87.405   21.643  9.7862  29.204  10.116  -7.560926      14.07476 
1 1 1 -21 -33 14 o 30.736  8.8398  163.375    69.454   208.596    162.046  153.198    76.873   28.161  12.356  28.875  9.4872  -0.7133617     15.57778 
1 1 1 -21 -33 15 o 21.644  8.4214  72.145     63.573   136.270    168.992  61.574     68.613   25.679  11.810  20.866  8.5334  4.813860       14.57031 
1 1 1 -21 -33 16 o 10.627  5.0186  -29.0823   33.941   -62.8558   155.262  -27.3874   34.782   20.209  9.8421  10.887  5.1230  9.321581       11.09555 
1 1 1 -21 -33 17 o 47.686  4.8815  306.388    55.686   388.532    119.479  283.593    62.939   45.510  10.952  44.851  5.9287  0.6585732      12.45403 
1 1 1 -21 -33 18 f 48.012  4.8690  309.808    55.938   461.101    118.775  266.688    63.410   51.945  9.7826  43.254  6.2209  8.691509       11.59299 
1 1 1 -21 -33 19 o 23.045  7.4149  81.475     47.087   62.078     101.722  86.765     53.121   22.362  9.8008  23.518  7.8919  -1.156525      12.58319 
1 1 1 -21 -33 20 o 17.776  7.0833  36.608     45.921   200.542    101.263  -5.8323    51.524   32.043  10.895  14.899  6.7223  17.14376       12.80230 
1 1 1 -21 -33 21 o 20.531  8.5519  50.866     70.627   -102.2250  157.363  89.482     79.034   19.917  9.7448  23.740  9.3452  -3.822487      13.50161 
1 1 1 -21 -33 22 o 23.164  8.9831  82.699     72.151   62.449     154.889  88.310     81.537   24.142  11.175  23.728  9.4437  0.4142933      14.63113 
1 1 1 -21 -33 23 o 19.042  8.2524  28.593     70.417   40.269     152.714  25.440     79.358   23.446  10.935  19.471  8.5910  3.974848       13.90645 
1 1 1 -21 -33 24 o 14.768  6.5663  -0.7209    47.238   223.016    150.242  -25.2651   49.762   31.095  12.662  13.554  6.2952  17.54097       14.14046 
1 1 1 -21 -33 25 o 16.699  6.9303  24.344     46.138   85.694     98.485   7.0932     52.224   23.948  10.046  15.946  7.0048  8.001916       12.24727 
1 1 1 -21 -33 26 f 12.029  5.6631  -33.0754   42.604   85.691     91.504   -65.9490   48.141   23.828  9.8123  11.385  5.5301  12.44279       11.26333 
1 1 1 -21 -33 27 o 15.884  6.8041  14.146     46.800   -25.0166   94.987   26.701     53.781   18.321  8.5712  17.626  7.4105  0.6951027      11.33056 
1 1 1 -21 -33 28 o 19.149  7.4484  46.492     49.719   1.6237     102.292  60.371     56.891   19.897  9.1646  20.866  8.0077  -0.9689846     12.17019 
1 1 1 -21 -33 29 o 16.287  6.9888  15.458     49.529   134.404    100.149  -23.0536   56.986   27.221  10.576  14.654  6.7817  12.56629       12.56348 
1 1 1 -21 -33 30 f 16.170  6.9438  14.882     48.960   41.271     101.814  6.9438     55.840   21.614  9.6234  16.328  7.2052  5.286247       12.02182 
1 1 1 -21 -33 31 o 21.911  7.9058  71.441     53.818   153.993    111.782  46.532     61.403   28.236  11.114  19.781  8.0793  8.454380       13.74049 
1 1 1 -21 -33 32 o 20.065  7.9868  51.971     58.325   -14.9417   104.564  82.194     70.274   19.306  9.0192  23.112  8.8926  -3.806482      12.66588 
1 1 1 -21 -33 33 o 26.494  8.4199  113.807    60.859   22.341     109.757  154.414    73.132   21.026  9.6135  30.141  9.1764  -9.115065      13.29006 
1 1 1 -21 -33 34 o 20.513  8.1040  57.040     59.634   12.680     108.482  76.251     71.388   20.510  9.4434  22.524  8.8769  -2.014788      12.96059 
1 1 1 -21 -33 35 o 38.760  10.161  268.272    96.729   317.363    157.482  238.532    122.576  35.357  13.381  33.170  11.936  2.187187       17.93121 
1 1 1 -21 -33 36 o 48.566  9.3129  392.488    105.752  349.847    171.392  418.702    134.382  35.721  13.847  45.700  11.975  -9.978531      18.30685 
1 1 1 -21 -33 37 o 42.211  9.7547  309.456    97.904   170.484    159.348  393.731    124.089  27.485  12.148  45.223  11.332  -17.73812      16.61252 
1 1 1 -21 -33 38 o 17.208  7.3583  23.919     54.565   89.143     112.255  3.7397     62.438   23.715  10.347  16.556  7.4413  7.159132       12.74504 
1 1 1 -21 -33 39 o 20.573  7.8891  62.120     55.190   1.5528     111.000  82.010     63.611   19.811  9.2674  22.602  8.5164  -2.791714      12.58623 
1 1 1 -21 -33 40 o 32.899  7.8745  173.086    62.022   138.808    120.813  185.352    72.273   25.969  11.022  32.910  8.8559  -6.941322      14.13940 
1 1 1 -21 -33 41 o 27.531  8.2810  127.448    59.820   72.887     114.571  147.897    70.140   22.550  10.112  28.867  9.0213  -6.317303      13.55104 
1 1 1 -21 -33 42 o 26.259  10.211  138.208    93.428   452.505    207.043  57.844     104.694  34.934  14.604  21.474  9.6452  13.46004       17.50197 
1 1 1 -21 -33 43 o 16.211  7.7033  -35.0993   82.350   96.004     177.920  -70.8430   92.901   23.740  11.293  15.897  7.7125  7.843211       13.67554 
1 1 1 -21 -33 44 o 22.872  11.080  63.352     189.940  63.352     189.940  0.0000     0.0000   22.872  11.080  ?       ?       0.000000       11.08005 
1 1 1 -21 -33 45 o 18.257  8.8389  -42.3235   120.442  -42.3235   120.442  0.0000     0.0000   18.257  8.8389  ?       ?       0.000000       8.838861 
1 1 1 -21 -33 46 o 16.169  7.5859  -15.7930   75.312   -166.6142  123.017  74.621     95.247   15.669  7.8294  21.480  9.4473  -5.811514      12.26987 
1 1 1 -21 -33 47 o 24.804  9.6390  125.400    83.204   241.299    132.412  49.777     106.958  29.273  11.900  20.449  9.4012  8.823824       15.16520 
1 1 1 -21 -33 48 o 27.163  7.6205  124.031    52.267   250.696    138.258  102.910    56.457   29.111  12.032  24.116  8.1357  4.995049       14.52434 
1 1 1 -21 -33 49 o 11.358  5.4116  -34.3713   41.186   -47.7300   124.610  -32.7330   43.638   17.968  8.7653  11.814  5.6119  6.154274       10.40790 
1 1 1 -21 -33 50 o 19.968  7.8854  64.181     56.439   151.139    136.853  46.361     61.952   24.343  10.972  18.610  7.8957  5.733593       13.51768 
1 1 1 -21 -33 51 f 12.980  6.1566  -32.1805   52.135   -24.5918   128.266  -33.6823   57.061   18.652  9.0523  13.497  6.4132  5.155353       11.09379 
1 1 1 -21 -33 52 o 19.951  7.9980  63.627     58.914   73.733     140.721  61.479     64.873   21.681  10.233  19.862  8.2281  1.819740       13.13074 
1 1 1 -21 -33 53 o 13.961  6.6926  -44.1034   65.098   -151.0272  167.187  -24.9955   70.676   17.927  8.9826  15.265  7.2189  2.662059       11.52391 
1 1 1 -21 -33 54 o 13.999  6.6883  -39.8708   63.829   -207.6752  169.412  -12.1090   68.908   17.271  8.7042  15.679  7.3237  1.592486       11.37543 
1 1 1 -21 -33 55 o 12.020  5.8158  -53.8055   51.956   35.010     135.166  -69.2035   56.280   20.458  9.7627  12.003  5.8634  8.454506       11.38815 
1 1 1 -21 -33 56 o 14.192  6.5879  -12.6058   54.376   0.0000     0.0000   -12.6058   54.376   ?       ?       14.192  6.5879  0.000000       6.587858 
1 1 1 -21 -33 57 o 20.751  9.4969  70.198     107.459  0.0000     0.0000   70.198     107.459  ?       ?       20.751  9.4969  0.000000       9.496937 
1 1 1 -21 -33 58 o 20.233  9.2037  67.450     98.990   356.284    256.670  16.980     107.291  25.097  12.314  18.514  8.7961  6.583200       15.13264 
1 1 1 -21 -33 59 o 12.605  6.2816  -117.3492  76.941   -498.0076  324.102  -94.6152   79.205   ?       ?       13.350  6.6046  0.000000       6.604559 
1 1 1 -21 -32 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -32 2  o 34.595  9.2800  225.427    79.509   0.0000     0.0000   225.427    79.509   ?       ?       34.595  9.2800  0.000000       9.280016 
1 1 1 -21 -32 3  o 19.053  6.7799  55.934     39.445   0.0000     0.0000   55.934     39.445   ?       ?       19.053  6.7799  0.000000       6.779920 
1 1 1 -21 -32 4  o 16.061  6.9808  20.513     50.677   160.058    93.730   -37.1298   60.241   26.816  10.281  13.754  6.5508  13.06204       12.19103 
1 1 1 -21 -32 5  o 20.505  8.2422  67.556     62.749   46.362     136.699  73.214     70.630   21.106  9.9987  21.033  8.6363  0.7284546E-01  13.21207 
1 1 1 -21 -32 6  o 25.043  7.1988  101.290    46.072   146.641    110.734  91.796     50.666   25.439  10.661  23.407  7.7026  2.032286       13.15269 
1 1 1 -21 -32 7  o 16.692  6.6403  34.398     40.295   25.942     101.740  35.972     43.883   19.656  9.0841  17.092  6.8848  2.564247       11.39826 
1 1 1 -21 -32 8  o 33.664  6.2824  167.319    49.429   257.603    112.055  145.508    55.077   33.760  11.461  30.074  7.5570  3.686079       13.72847 
1 1 1 -21 -32 9  o 19.372  7.2756  54.742     46.353   191.254    113.683  27.521     50.764   28.954  11.263  16.959  7.1685  11.99558       13.35056 
1 1 1 -21 -32 10 o 34.570  6.7175  178.617    54.317   130.077    122.721  190.442    60.573   25.327  10.935  35.069  7.3535  -9.741978      13.17780 
1 1 1 -21 -32 11 o 30.390  6.6158  137.535    47.400   97.466     108.573  146.970    52.686   23.871  10.296  30.949  7.1584  -7.077810      12.54021 
1 1 1 -21 -32 12 o 33.336  6.8019  165.494    53.156   92.444     107.356  189.219    61.182   23.771  10.246  35.098  7.4164  -11.32666      12.64834 
1 1 1 -21 -32 13 o 53.769  4.8739  388.574    62.896   416.831    182.812  384.780    66.986   37.952  14.404  53.076  5.2711  -15.12464      15.33861 
1 1 1 -21 -32 14 o 26.543  8.5406  116.443    62.470   85.120     158.035  122.244    68.010   24.601  11.353  26.858  8.9282  -2.257641      14.44276 
1 1 1 -21 -32 15 o 31.515  8.5506  161.965    67.047   16.284     163.464  191.432    73.516   22.882  10.867  34.092  8.8202  -11.20980      13.99620 
1 1 1 -21 -32 16 o 24.366  8.5835  95.061     63.070   207.837    141.934  67.314     70.402   30.422  12.337  21.845  8.7482  8.576628       15.12388 
1 1 1 -21 -32 17 o 49.200  4.7537  321.391    56.043   449.942    119.522  285.163    63.450   51.794  9.8710  45.296  5.9143  6.497578       11.50718 
1 1 1 -21 -32 18 f 22.977  6.6227  77.189     38.946   -74.7355   100.088  104.297    42.278   17.070  8.2129  26.765  6.5608  -9.694860      10.51166 
1 1 1 -21 -32 19 o 26.623  7.2685  106.495    48.272   175.608    100.453  85.743     55.044   30.654  10.829  23.673  8.0330  6.980680       13.48323 
1 1 1 -21 -32 20 o 43.460  5.6502  258.382    58.173   282.536    110.469  249.114    68.430   39.198  11.108  41.422  7.0618  -2.224186      13.16234 
1 1 1 -21 -32 21 o 21.708  7.4893  68.434     47.886   92.519     99.936   61.256     54.557   24.740  10.228  21.037  7.8948  3.702221       12.92030 
1 1 1 -21 -32 22 o 28.579  9.6928  138.241    80.141   278.249    169.840  98.139     90.896   34.064  13.607  25.038  9.9692  9.025909       16.86792 
1 1 1 -21 -32 23 o 20.931  8.7511  48.258     74.351   110.920    153.547  29.066     84.978   26.655  11.846  20.372  8.9426  6.282999       14.84218 
1 1 1 -21 -32 24 o 23.484  9.3030  79.551     78.782   -103.9443  170.271  129.534    88.867   21.118  10.290  27.586  10.127  -6.467447      14.43760 
1 1 1 -21 -32 25 o 46.001  5.5449  286.736    60.643   158.939    116.007  334.792    71.137   29.242  11.377  49.240  6.0835  -19.99812      12.90096 
1 1 1 -21 -32 26 o 17.386  7.1166  28.233     47.773   95.658     97.044   6.6666     54.884   25.058  10.187  16.383  7.1893  8.674934       12.46828 
1 1 1 -21 -32 27 o 14.417  6.4471  -5.6557    46.239   -68.8488   96.541   13.156     52.674   17.145  8.2009  16.614  7.1688  0.5314121      10.89248 
1 1 1 -21 -32 28 o 34.864  6.9788  175.919    56.977   237.068    111.142  154.119    66.361   35.519  11.388  31.300  8.5127  4.219469       14.21800 
1 1 1 -21 -32 29 o 25.064  8.0698  96.211     55.766   27.627     133.852  110.616    61.343   22.955  10.540  26.556  8.4547  -3.600988      13.51189 
1 1 1 -21 -32 30 o 26.876  8.0465  111.483    56.577   77.800     103.632  125.785    67.529   24.051  10.209  27.952  8.8677  -3.901125      13.52224 
1 1 1 -21 -32 31 o 25.673  8.6154  103.809    63.308   210.200    132.129  72.107     72.126   31.957  12.218  22.655  8.9245  9.301924       15.13027 
1 1 1 -21 -32 32 o 29.118  8.3524  133.480    62.080   84.839     109.094  156.775    75.495   24.508  10.440  30.714  9.3174  -6.206474      13.99324 
1 1 1 -21 -32 33 o 45.482  6.4150  291.258    68.829   300.791    121.473  286.749    83.532   39.463  11.785  43.265  8.2582  -3.802372      14.39025 
1 1 1 -21 -32 34 o 29.134  8.2981  134.085    61.491   25.631     112.965  179.752    73.303   21.657  9.8440  33.283  8.9030  -11.62622      13.27284 
1 1 1 -21 -32 35 o 17.118  7.7071  -0.1518    67.307   54.504     99.548   -46.1788   91.353   22.319  9.7408  17.283  8.1836  5.035404       12.72219 
1 1 1 -21 -32 36 o 26.459  9.4307  118.145    76.348   89.511     143.941  129.355    90.060   25.083  11.284  27.077  10.147  -1.993784      15.17510 
1 1 1 -21 -32 37 o 29.489  9.6973  152.574    80.310   153.452    151.505  152.231    94.712   27.611  12.035  28.663  10.465  -1.052227      15.94864 
1 1 1 -21 -32 38 o 46.544  6.5987  311.458    72.436   410.029    167.318  288.723    80.357   40.488  13.998  43.364  7.9293  -2.875656      16.08748 
1 1 1 -21 -32 39 o 32.984  7.6571  167.987    60.103   291.175    119.158  125.950    69.607   37.691  11.755  27.208  9.0319  10.48357       14.82418 
1 1 1 -21 -32 40 o 58.016  5.3991  461.154    75.132   390.718    139.232  490.089    89.239   42.474  12.602  58.532  6.3872  -16.05726      14.12784 
1 1 1 -21 -32 41 o 27.422  8.4327  125.053    61.565   152.956    119.027  114.862    71.936   27.196  11.194  25.719  9.1555  1.477386       14.46147 
1 1 1 -21 -32 42 o 20.081  8.3466  51.773     67.072   -38.6650   115.450  97.849     82.406   18.738  8.9643  23.892  9.4987  -5.154047      13.06082 
1 1 1 -21 -32 43 o 28.121  12.923  235.075    201.793  235.075    201.793  0.0000     0.0000   28.121  12.923  ?       ?       0.000000       12.92276 
1 1 1 -21 -32 44 o 20.468  10.082  -72.7733   177.691  -72.7733   177.691  0.0000     0.0000   20.468  10.082  ?       ?       0.000000       10.08218 
1 1 1 -21 -32 45 o 35.746  8.0893  209.107    68.525   300.017    137.579  179.114    79.025   33.939  12.576  30.928  9.5610  3.011028       15.79778 
1 1 1 -21 -32 46 o 31.369  8.5646  170.505    67.019   142.906    136.398  179.288    76.949   25.112  11.162  30.989  9.4080  -5.876055      14.59809 
1 1 1 -21 -32 47 o 29.995  7.3256  143.891    52.857   224.088    137.460  129.976    57.259   28.644  11.931  27.639  8.0487  1.004951       14.39197 
1 1 1 -21 -32 48 o 15.251  6.9364  -0.5861    56.191   -64.2793   127.094  14.889     62.647   17.983  8.7899  16.749  7.4962  1.234196       11.55226 
1 1 1 -21 -32 49 o 12.656  5.8386  -14.1890   41.756   25.752     128.378  -18.9144   44.157   20.314  9.6427  12.706  5.9109  7.607680       11.31018 
1 1 1 -21 -32 50 o 20.101  7.8234  64.143     54.876   133.545    130.157  49.140     60.518   24.101  10.795  18.913  7.9004  5.187441       13.37675 
1 1 1 -21 -32 51 o 50.644  6.3666  383.620    76.505   805.175    161.114  260.895    86.931   63.676  10.815  37.143  9.5822  26.53242       14.44911 
1 1 1 -21 -32 52 o 34.369  7.7817  195.359    63.385   205.318    146.739  193.074    70.280   26.646  11.723  32.913  8.6771  -6.266489      14.58463 
1 1 1 -21 -32 53 o 36.322  9.7352  253.297    87.544   89.814     191.746  296.349    98.398   22.811  11.070  38.453  10.327  -15.64111      15.13943 
1 1 1 -21 -32 54 f 28.115  10.259  170.933    91.000   566.396    194.656  60.332     102.942  39.532  14.897  20.889  9.4562  18.64262       17.64512 
1 1 1 -21 -32 55 f 28.661  9.0608  154.713    70.550   0.0000     0.0000   154.713    70.550   ?       ?       28.661  9.0608  0.000000       9.060819 
1 1 1 -21 -32 56 o 20.266  8.3568  65.018     66.482   0.0000     0.0000   65.018     66.482   ?       ?       20.266  8.3568  0.000000       8.356809 
1 1 1 -21 -32 57 o 32.657  10.400  229.939    92.820   287.685    161.381  201.393    113.466  28.871  12.503  27.947  11.135  0.9245510      16.74221 
1 1 1 -21 -32 58 o 30.590  11.435  248.274    114.239  110.390    376.964  262.218    119.876  ?       ?       30.858  11.676  0.000000       11.67588 
1 1 1 -21 -32 59 o 26.557  10.891  194.320    112.153  444.394    352.326  166.122    118.307  24.303  12.283  24.621  10.684  -0.3181763     16.27929 
1 1 1 -21 -31 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -31 2  o 21.702  8.2310  80.115     59.665   0.0000     0.0000   80.115     59.665   ?       ?       21.702  8.2310  0.000000       8.230972 
1 1 1 -21 -31 3  o 18.160  6.2375  48.474     33.199   -70.8577   87.377   68.607     35.890   15.269  7.4242  21.139  6.4269  -5.870118      9.819506 
1 1 1 -21 -31 4  o 20.718  6.5509  65.798     36.876   101.185    95.690   59.626     39.963   23.248  9.8353  19.758  6.8403  3.490276       11.98009 
1 1 1 -21 -31 5  o 21.378  8.2762  73.617     61.159   75.418     133.992  73.143     68.738   22.584  10.433  21.392  8.6167  1.192204       13.53120 
1 1 1 -21 -31 6  o 20.499  7.2056  64.348     44.427   267.819    137.812  40.751     46.932   32.037  12.418  17.902  7.1520  14.13440       14.32992 
1 1 1 -21 -31 7  o 17.925  6.8337  43.031     41.260   60.396     94.044   38.892     45.915   21.457  9.4134  17.733  7.0776  3.724165       11.77731 
1 1 1 -21 -31 8  o 10.622  5.0475  -33.4464   35.362   15.097     85.553   -43.4485   38.835   18.878  8.5754  10.717  5.1460  8.160856       10.00098 
1 1 1 -21 -31 9  o 35.532  6.5586  184.772    54.462   172.795    121.515  187.782    60.923   28.290  11.435  35.009  7.4034  -6.719187      13.62246 
1 1 1 -21 -31 10 o 14.495  6.1622  12.143     37.866   -46.0643   104.640  20.914     40.619   18.019  8.5963  15.670  6.5028  2.348889       10.77883 
1 1 1 -21 -31 11 o 18.533  6.9350  45.665     42.039   152.592    96.107   20.366     46.748   28.378  10.512  16.313  6.8865  12.06491       12.56679 
1 1 1 -21 -31 12 o 16.795  6.3375  34.591     35.257   24.152     99.448   36.092     37.707   20.602  9.3133  17.166  6.5355  3.436865       11.37758 
1 1 1 -21 -31 13 o 11.011  5.0788  -17.7253   31.570   9.5799     94.976   -21.1169   33.473   19.774  9.0029  11.141  5.1704  8.633915       10.38195 
1 1 1 -21 -31 14 o 35.475  7.7824  191.212    65.147   250.776    116.337  164.000    78.632   35.608  11.670  31.032  9.5280  4.576551       15.06526 
1 1 1 -21 -31 15 o 16.731  7.3205  10.034     56.542   171.346    134.903  -24.3430   62.277   29.323  11.976  15.323  7.0907  13.99922       13.91741 
1 1 1 -21 -31 16 o 33.177  8.4336  172.324    68.039   177.023    138.949  170.842    78.034   29.760  12.154  32.057  9.4135  -2.296883      15.37321 
1 1 1 -21 -31 17 f 63.260  4.6868  524.407    71.428   572.761    171.443  514.251    78.572   53.717  13.239  62.045  5.2689  -8.328663      14.24871 
1 1 1 -21 -31 18 o 33.451  6.2597  156.866    48.940   177.066    135.327  153.826    52.493   30.155  12.110  32.703  6.8354  -2.547966      13.90603 
1 1 1 -21 -31 19 o 7.9408  3.9617  -75.9576   30.958   -102.3160  107.243  -73.5615   32.334   17.174  8.3211  8.3096  4.1299  8.864165       9.289585 
1 1 1 -21 -31 20 o 14.148  6.2600  -2.5635    42.429   -15.4439   90.797   1.0350     47.992   18.785  8.6457  15.202  6.6954  3.583226       10.93509 
1 1 1 -21 -31 21 o 18.084  6.9770  37.875     43.351   18.601     91.775   43.410     49.183   20.508  9.1332  19.109  7.4151  1.398342       11.76432 
1 1 1 -21 -31 22 o 17.115  7.5103  7.5373     59.892   -146.2926  90.188   128.900    80.107   14.460  7.1342  28.114  9.6873  -13.65453      12.03087 
1 1 1 -21 -31 23 o 30.733  10.550  163.083    94.974   0.0000     0.0000   163.083    94.974   ?       ?       30.733  10.550  0.000000       10.55042 
1 1 1 -21 -31 24 f 24.863  9.4599  92.228     78.970   57.211     160.303  103.450    90.745   25.472  11.635  25.915  10.068  -0.4424706     15.38627 
1 1 1 -21 -31 25 o 34.157  9.9530  193.827    87.534   63.721     173.122  238.513    101.459  26.087  11.981  37.209  10.679  -11.12225      16.04953 
1 1 1 -21 -31 26 o 21.872  7.7578  67.091     51.603   -69.0767   123.616  95.828     56.788   19.548  9.3307  25.249  8.1449  -5.700666      12.38551 
1 1 1 -21 -31 27 f 24.726  7.7261  90.542     51.447   34.800     102.209  109.459    59.540   22.081  9.7457  26.784  8.3022  -4.703222      12.80252 
1 1 1 -21 -31 28 o 23.204  7.8764  78.367     52.918   173.159    103.938  45.198     61.484   31.247  11.018  20.162  8.1395  11.08517       13.69825 
1 1 1 -21 -31 29 o 18.084  7.5432  26.803     55.059   29.324     99.237   25.681     66.180   21.605  9.5659  18.996  8.1127  2.609388       12.54280 
1 1 1 -21 -31 30 o 16.921  7.3110  12.355     54.931   -59.3484   95.958   47.304     66.993   17.584  8.3439  20.667  8.4398  -3.083124      11.86809 
1 1 1 -21 -31 31 o 16.388  7.1955  5.0012     55.045   177.446    101.705  -66.4378   65.461   31.588  10.914  13.995  6.7096  17.59270       12.81116 
1 1 1 -21 -31 32 o 11.218  5.5292  -97.8776   53.711   -187.6336  97.899   -59.2267   64.243   14.302  7.1208  14.111  6.7330  0.1911497      9.799932 
1 1 1 -21 -31 33 o 10.900  5.3606  -87.8806   49.579   -58.4020   95.092   -98.8855   58.101   17.466  8.2933  11.822  5.8122  5.644265       10.12723 
1 1 1 -21 -31 34 o 50.105  5.7073  340.653    68.148   356.157    125.648  334.191    81.115   44.309  11.564  48.258  7.1432  -3.949390      13.59227 
1 1 1 -21 -31 35 o 62.196  5.0732  513.047    75.895   491.148    138.410  522.463    90.755   53.188  11.084  61.562  6.1582  -8.374615      12.68020 
1 1 1 -21 -31 36 o 38.036  9.3696  235.701    85.906   422.508    156.142  154.608    102.876  44.860  13.353  29.219  10.865  15.64096       17.21512 
1 1 1 -21 -31 37 o 16.661  7.5717  -8.9248    66.794   -67.6645   123.972  15.101     79.287   19.216  9.2183  19.121  8.5042  0.9498596E-01  12.54184 
1 1 1 -21 -31 38 o 17.990  8.2356  -8.1329    80.892   0.0000     0.0000   -8.1329    80.892   ?       ?       17.990  8.2356  0.000000       8.235649 
1 1 1 -21 -31 39 o 12.365  5.9133  -50.4401   50.147   -76.5131   98.073   -41.2101   58.352   16.836  8.1074  13.945  6.5842  2.890704       10.44420 
1 1 1 -21 -31 40 o 13.080  6.1887  -40.4935   52.045   52.130     103.921  -71.5014   60.128   22.203  9.8119  12.893  6.2429  9.309775       11.62962 
1 1 1 -21 -31 41 o 25.472  11.011  111.651    124.728  111.651    124.728  0.0000     0.0000   25.472  11.011  ?       ?       0.000000       11.01124 
1 1 1 -21 -31 42 o 24.389  10.730  93.758     122.958  93.758     122.958  0.0000     0.0000   24.389  10.730  ?       ?       0.000000       10.73022 
1 1 1 -21 -31 43 o 35.765  15.006  447.705    219.791  447.705    219.791  0.0000     0.0000   35.765  15.006  ?       ?       0.000000       15.00607 
1 1 1 -21 -31 44 o 28.927  10.635  168.038    98.057   240.077    213.555  148.793    110.380  28.483  13.163  27.008  10.905  1.475140       17.09317 
1 1 1 -21 -31 45 o 21.694  8.0715  73.779     56.785   59.395     212.113  74.890     58.936   23.953  11.628  21.809  8.2014  2.143684       14.22960 
1 1 1 -21 -31 46 o 22.679  7.7538  82.864     51.288   97.033     136.511  80.535     55.342   23.781  10.814  22.310  8.0210  1.471680       13.46406 
1 1 1 -21 -31 47 o 19.135  7.3750  52.476     48.400   149.873    126.411  35.745     52.392   25.864  11.133  17.732  7.3741  8.131508       13.35367 
1 1 1 -21 -31 48 o 38.726  8.2308  248.120    74.957   242.292    145.503  250.226    87.455   29.435  12.269  36.736  9.6766  -7.301390      15.62574 
1 1 1 -21 -31 49 o 32.017  7.4733  164.460    57.001   155.961    143.109  166.063    62.143   25.346  11.338  31.431  8.0981  -6.085222      13.93293 
1 1 1 -21 -31 50 o 12.605  5.9993  -37.7931   50.337   29.429     129.754  -49.7025   54.615   20.644  9.7687  12.643  6.0789  8.001272       11.50569 
1 1 1 -21 -31 51 o 15.335  6.9092  3.8219     54.208   -34.4648   135.820  11.076     59.121   19.096  9.2785  16.241  7.2747  2.854671       11.79036 
1 1 1 -21 -31 52 o 18.268  7.5716  42.931     54.973   98.676     134.171  31.685     60.264   22.966  10.548  17.691  7.6506  5.275042       13.03011 
1 1 1 -21 -31 53 o 31.349  10.671  213.811    97.127   0.0000     0.0000   213.811    97.127   ?       ?       31.349  10.671  0.000000       10.67054 
1 1 1 -21 -31 54 o 12.976  6.3723  -90.2089   69.227   0.0000     0.0000   -90.2089   69.227   ?       ?       12.976  6.3723  0.000000       6.372266 
1 1 1 -21 -31 55 f 11.208  5.5182  -82.8802   52.992   0.0000     0.0000   -82.8802   52.992   ?       ?       11.208  5.5182  0.000000       5.518232 
1 1 1 -21 -31 56 o 20.695  7.9600  69.018     56.294   -183.6093  142.220  115.952    61.300   16.556  8.2944  25.478  8.4768  -8.921013      11.85970 
1 1 1 -21 -31 57 o 13.121  6.1542  -24.1624   49.501   -84.4109   132.112  -14.3224   53.391   17.690  8.7101  14.121  6.5451  3.569577       10.89514 
1 1 1 -21 -31 58 o 22.310  9.6971  95.650     97.797   20.850     371.971  101.205    101.363  ?       ?       22.593  9.8457  0.000000       9.845698 
1 1 1 -21 -31 59 o 26.674  11.111  195.052    119.230  141.874    310.976  204.216    129.095  22.771  11.511  26.547  11.334  -3.775900      16.15470 
1 1 1 -21 -30 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -30 2  o 19.778  7.7332  58.142     53.806   0.0000     0.0000   58.142     53.806   ?       ?       19.778  7.7332  0.000000       7.733164 
1 1 1 -21 -30 3  o 16.960  6.4780  37.550     37.121   81.157     78.383   24.942     42.147   22.207  9.1057  15.971  6.6255  6.235703       11.26106 
1 1 1 -21 -30 4  o 15.313  6.0247  26.363     32.830   -13.8088   92.354   32.173     35.125   17.928  8.4078  16.227  6.2747  1.701475       10.49113 
1 1 1 -21 -30 5  o 17.652  7.0358  37.882     45.320   67.515     98.291   29.881     51.072   22.099  9.6610  17.320  7.2483  4.778233       12.07774 
1 1 1 -21 -30 6  o 39.026  8.3133  244.484    76.311   166.844    156.606  268.659    87.387   27.161  12.022  39.772  9.2330  -12.61046      15.15830 
1 1 1 -21 -30 7  o 45.297  5.1837  279.405    55.948   251.329    113.833  288.347    64.242   34.788  11.550  45.221  6.0033  -10.43246      13.01720 
1 1 1 -21 -30 8  o 47.051  5.0493  298.631    56.744   437.442    113.173  252.017    65.583   51.362  9.4286  41.669  6.7147  9.692776       11.57525 
1 1 1 -21 -30 9  o 41.170  6.0328  237.607    58.477   322.505    123.815  213.234    66.342   40.204  11.872  37.605  7.5333  2.598980       14.06069 
1 1 1 -21 -30 10 o 36.570  5.9472  186.668    50.959   179.336    107.411  188.798    57.889   30.444  11.141  36.022  6.8739  -5.577955      13.09054 
1 1 1 -21 -30 11 o 60.974  4.3950  484.749    64.586   812.209    131.227  380.071    74.195   74.657  7.3390  52.502  5.9280  22.15560       9.434089 
1 1 1 -21 -30 12 o 28.856  6.1578  117.609    41.801   131.639    104.052  114.909    45.647   27.452  10.748  28.113  6.7720  -0.6619244     12.70376 
1 1 1 -21 -30 13 o 26.031  6.4930  97.228     40.875   162.959    107.132  86.029     44.220   29.856  11.091  24.203  7.0803  5.653198       13.15811 
1 1 1 -21 -30 14 f 20.838  6.7049  61.273     38.501   33.041     103.038  65.855     41.508   21.852  9.7078  21.488  6.9668  0.3637924      11.94891 
1 1 1 -21 -30 15 o 42.766  7.4679  265.614    74.673   84.727     144.042  332.096    87.324   25.906  11.495  47.515  7.8483  -21.60937      13.91849 
1 1 1 -21 -30 16 o ?       ?       -201.9327  27.749   -222.8248  96.145   -200.0341  28.983   13.481  6.7629  ?       ?       0.000000       6.762856 
1 1 1 -21 -30 17 o 43.839  7.2455  274.808    74.380   163.704    141.981  316.833    87.321   29.919  12.260  46.331  8.0603  -16.41120      14.67247 
1 1 1 -21 -30 18 o 48.940  4.7514  312.875    55.711   354.290    112.808  299.516    64.070   46.626  10.251  47.148  5.7174  -0.5225754     11.73718 
1 1 1 -21 -30 19 o 47.528  4.6384  293.984    52.810   263.164    99.554   306.053    62.297   40.006  10.219  47.898  5.4577  -7.892265      11.58516 
1 1 1 -21 -30 20 o 39.404  6.3228  214.056    58.408   306.402    90.887   149.087    76.234   45.158  8.6089  30.593  9.3797  14.56562       12.73152 
1 1 1 -21 -30 21 o 36.687  6.1673  184.816    52.952   173.902    101.224  188.928    62.132   31.796  10.893  36.281  7.3105  -4.484331      13.11866 
1 1 1 -21 -30 22 o 37.550  6.8799  198.452    60.373   99.023     164.258  213.983    64.917   27.571  12.252  38.810  7.1575  -11.23840      14.18981 
1 1 1 -21 -30 23 o 14.729  7.0055  -60.3265   68.417   112.650    142.233  -112.3977  78.038   27.736  11.871  14.121  6.8990  13.61540       13.72987 
1 1 1 -21 -30 24 o 19.962  8.5986  25.688     75.514   -34.0524   153.731  44.687     86.694   22.734  10.719  21.966  9.3310  0.7674751      14.21171 
1 1 1 -21 -30 25 o 14.967  7.0826  -54.0953   68.214   -35.9579   150.260  -58.8036   76.557   22.497  10.605  15.782  7.4784  6.714755       12.97635 
1 1 1 -21 -30 26 o 14.270  6.4028  -9.7355    46.012   -14.0221   94.054   -8.3869    52.756   19.420  8.8866  15.324  6.8672  4.096416       11.23078 
1 1 1 -21 -30 27 o 10.072  5.0038  -104.0269  47.298   -194.8750  85.699   -64.2336   56.718   12.999  6.5013  12.976  6.2277  0.2257729E-01  9.002798 
1 1 1 -21 -30 28 o 13.684  6.3756  -33.2285   51.690   -64.4092   93.198   -19.3759   62.120   17.333  8.2243  15.871  7.2471  1.462234       10.96169 
1 1 1 -21 -30 29 o 46.409  5.9437  291.300    65.393   342.267    113.794  266.171    79.904   45.773  10.473  42.634  8.0184  3.138638       13.18989 
1 1 1 -21 -30 30 o 39.242  6.8950  216.575    63.256   203.383    110.209  223.056    77.246   33.864  11.367  38.500  8.4965  -4.636238      14.19171 
1 1 1 -21 -30 31 f 58.567  5.2312  452.505    73.556   329.013    127.222  514.516    90.152   42.912  11.835  61.598  6.1125  -18.68648      13.32024 
1 1 1 -21 -30 32 o 55.084  5.1850  400.358    68.486   400.322    125.506  400.374    81.726   49.018  10.840  54.035  6.3548  -5.016167      12.56533 
1 1 1 -21 -30 33 o 50.595  5.5290  342.180    66.771   381.977    119.601  324.160    80.481   48.160  10.529  47.822  7.1558  0.3378487      12.73011 
1 1 1 -21 -30 34 o 51.669  5.4984  356.862    67.874   353.967    125.605  358.056    80.666   44.872  11.487  50.645  6.7311  -5.773159      13.31420 
1 1 1 -21 -30 35 o 10.017  4.9732  -99.9898   46.423   -16.6901   97.238   -124.5806  52.832   19.360  8.9240  10.324  5.1544  9.036832       10.30560 
1 1 1 -21 -30 36 o 36.116  9.4053  209.978    83.234   266.549    151.161  185.363    99.712   35.427  13.171  32.389  10.813  3.037861       17.04102 
1 1 1 -21 -30 37 o 25.919  9.5701  106.116    79.531   205.143    143.620  62.319     95.512   31.789  12.571  23.094  9.8013  8.694950       15.94027 
1 1 1 -21 -30 38 o 17.310  8.3255  -82.2194   102.636  0.0000     0.0000   -82.2194   102.636  ?       ?       17.310  8.3255  0.000000       8.325540 
1 1 1 -21 -30 39 f 27.785  8.6496  122.822    64.549   53.594     113.515  155.904    78.470   23.150  10.241  30.503  9.5435  -7.353479      13.99873 
1 1 1 -21 -30 40 o 23.503  10.426  60.332     118.450  60.332     118.450  0.0000     0.0000   23.503  10.426  ?       ?       0.000000       10.42641 
1 1 1 -21 -30 41 o 28.924  11.783  166.879    130.173  166.879    130.173  0.0000     0.0000   28.924  11.783  ?       ?       0.000000       11.78267 
1 1 1 -21 -30 42 o 28.321  11.628  160.173    128.038  160.173    128.038  0.0000     0.0000   28.321  11.628  ?       ?       0.000000       11.62830 
1 1 1 -21 -30 43 o 33.620  10.791  215.505    99.777   44.504     200.538  271.765    115.026  24.565  11.768  36.843  11.559  -12.27857      16.49552 
1 1 1 -21 -30 44 o 46.288  8.4340  339.390    91.236   320.911    230.430  342.826    99.355   31.262  14.150  45.307  9.3479  -14.04515      16.95911 
1 1 1 -21 -30 45 o 36.337  9.2817  226.308    82.130   146.102    230.109  238.017    87.921   26.423  12.644  36.709  9.7182  -10.28601      15.94759 
1 1 1 -21 -30 46 o 29.281  7.7094  136.237    55.527   175.998    146.057  129.520    60.035   27.546  11.912  27.977  8.2686  -0.4307346     14.50024 
1 1 1 -21 -30 47 o 20.887  7.6410  66.662     50.522   95.385     137.628  62.189     54.315   23.917  10.869  20.457  7.8306  3.460314       13.39610 
1 1 1 -21 -30 48 o 21.347  7.6756  71.651     50.680   180.422    149.453  57.519     53.871   26.971  11.849  19.876  7.7472  7.094233       14.15664 
1 1 1 -21 -30 49 o 23.682  7.6204  91.403     49.733   -14.5393   137.897  107.244    53.322   20.055  9.6466  25.427  7.8526  -5.372784      12.43866 
1 1 1 -21 -30 50 o 19.022  7.5388  50.961     51.758   341.956    140.192  5.0390     55.692   36.078  12.788  15.670  7.0366  20.40803       14.59593 
1 1 1 -21 -30 51 o 19.940  7.9149  59.493     57.132   56.478     134.762  60.154     63.081   21.811  10.206  20.140  8.2031  1.671310       13.09382 
1 1 1 -21 -30 52 o 29.398  9.2989  162.141    74.298   0.0000     0.0000   162.141    74.298   ?       ?       29.398  9.2989  0.000000       9.298916 
1 1 1 -21 -30 53 o 17.593  7.9908  13.005     74.260   0.0000     0.0000   13.005     74.260   ?       ?       17.593  7.9908  0.000000       7.990849 
1 1 1 -21 -30 54 o 18.337  8.3665  16.858     82.588   0.0000     0.0000   16.858     82.588   ?       ?       18.337  8.3665  0.000000       8.366546 
1 1 1 -21 -30 55 o 31.024  8.6983  168.900    68.120   325.873    179.627  142.533    73.619   31.014  13.309  27.537  9.2903  3.477034       16.23055 
1 1 1 -21 -30 56 o 17.300  7.5156  25.987     58.685   19.039     155.237  27.146     63.390   21.246  10.223  17.706  7.7490  3.540220       12.82831 
1 1 1 -21 -30 57 o 23.173  8.5121  94.278     62.792   -32.9895   160.980  117.116    68.193   20.115  9.8448  25.203  8.9203  -5.087996      13.28503 
1 1 1 -21 -30 58 o 14.762  7.2992  -116.0413  96.222   -274.1347  249.308  -88.3691   104.304  19.354  9.8362  16.015  7.8561  3.338596       12.58851 
1 1 1 -21 -30 59 o 20.236  9.3371  49.042     106.852  -231.5264  290.667  92.880     114.896  ?       ?       22.167  10.016  0.000000       10.01638 
1 1 1 -21 -29 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -29 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -29 3  o 23.181  7.3146  83.555     45.993   0.0000     0.0000   83.555     45.993   ?       ?       23.181  7.3146  0.000000       7.314553 
1 1 1 -21 -29 4  f 16.843  6.3986  35.342     36.094   16.625     85.614   39.387     39.804   19.143  8.6485  17.582  6.7098  1.560986       10.94608 
1 1 1 -21 -29 5  o 38.891  6.8349  221.606    62.145   350.504    113.741  166.753    74.199   43.713  10.789  31.236  9.1812  12.47668       14.16693 
1 1 1 -21 -29 6  o 26.035  8.1173  107.671    56.824   157.834    134.318  96.735     62.713   27.940  11.727  24.559  8.5651  3.380323       14.52192 
1 1 1 -21 -29 7  o 15.217  6.3743  16.113     39.555   148.659    127.673  2.0403     41.602   27.827  11.537  14.244  6.2546  13.58323       13.12304 
1 1 1 -21 -29 8  o 11.895  5.5424  -25.7745   39.070   30.840     121.846  -32.2626   41.248   22.337  10.180  11.886  5.5886  10.45081       11.61337 
1 1 1 -21 -29 9  f 24.374  7.0866  87.660     44.420   106.326    105.295  83.619     48.993   25.804  10.564  23.665  7.5581  2.139259       12.98949 
1 1 1 -21 -29 10 o 13.341  5.7791  2.8277     34.503   -7.4722    89.047   4.6473     37.427   18.919  8.6535  13.968  6.0349  4.950989       10.55003 
1 1 1 -21 -29 11 o 20.628  6.8226  59.539     39.732   93.740     97.434   52.718     43.514   25.196  10.220  19.833  7.1143  5.363400       12.45264 
1 1 1 -21 -29 12 f 39.234  5.4281  206.775    50.289   242.993    114.125  198.048    56.022   36.438  11.525  37.749  6.3412  -1.310223      13.15407 
1 1 1 -21 -29 13 o 21.523  6.9392  65.220     41.224   165.954    102.710  45.876     45.008   30.857  10.945  19.184  7.1763  11.67278       13.08762 
1 1 1 -21 -29 14 o 23.920  6.8846  81.852     42.114   196.392    93.596   52.775     47.157   34.186  10.375  20.140  7.3799  14.04555       12.73220 
1 1 1 -21 -29 15 o 39.410  6.9249  218.623    63.803   280.755    103.654  180.722    80.958   41.368  10.352  33.668  9.4977  7.699223       14.04868 
1 1 1 -21 -29 16 o 52.332  6.5751  377.065    81.647   487.463    152.295  332.537    96.721   52.646  12.166  47.022  8.8008  5.624313       15.01573 
1 1 1 -21 -29 17 o 46.452  7.0694  302.563    77.167   347.752    138.979  282.422    92.784   43.533  12.500  42.925  9.1859  0.6077576      15.51226 
1 1 1 -21 -29 18 o 47.658  5.0905  298.044    57.954   331.472    144.371  291.623    63.276   41.842  12.921  46.702  5.7024  -4.860069      14.12335 
1 1 1 -21 -29 19 o 41.576  4.9179  226.127    48.651   292.798    91.750   200.048    57.383   44.138  8.8747  38.135  6.4302  6.002949       10.95938 
1 1 1 -21 -29 20 o 33.294  5.6357  149.084    43.903   190.403    82.359   132.682    51.890   34.857  9.4848  30.510  7.1366  4.347202       11.86982 
1 1 1 -21 -29 21 o 17.621  7.0305  29.808     45.293   -78.9613   93.103   63.531     51.841   16.938  8.0882  21.744  7.7689  -4.806730      11.21494 
1 1 1 -21 -29 22 o 21.871  7.4359  65.704     47.166   -6.2363    95.141   89.145     54.309   20.026  9.0759  24.826  7.9607  -4.799944      12.07242 
1 1 1 -21 -29 23 o 24.332  8.7819  83.772     66.413   59.133     97.064   105.460    91.067   23.679  9.9555  26.703  10.159  -3.023798      14.22383 
1 1 1 -21 -29 24 o 63.698  7.1212  563.027    108.180  824.728    203.554  460.015    127.709  69.006  12.622  54.357  10.053  14.64910       16.13635 
1 1 1 -21 -29 25 o 72.678  6.9559  727.673    121.167  515.419    222.150  817.556    144.563  47.004  16.136  75.662  7.9955  -28.65782      18.00813 
1 1 1 -21 -29 26 f 59.689  7.5790  502.708    107.294  481.141    204.151  510.939    126.115  46.746  15.465  58.350  9.2135  -11.60350      18.00191 
1 1 1 -21 -29 27 o 16.470  7.1051  8.3935     51.718   73.493     94.038   -19.8355   61.924   24.464  9.9958  15.919  7.2560  8.544790       12.35171 
1 1 1 -21 -29 28 o 28.624  8.1188  121.163    58.989   102.488    104.970  129.783    71.315   26.751  10.693  29.098  9.0971  -2.346489      14.03917 
1 1 1 -21 -29 29 o 16.565  7.1792  7.2054     53.296   -11.7881   98.040   15.173     63.497   20.011  9.1247  18.286  7.8807  1.724892       12.05683 
1 1 1 -21 -29 30 o 29.253  7.7158  124.872    55.554   -19.3361   102.825  184.318    66.019   20.065  9.2220  35.602  7.8532  -15.53753      12.11274 
1 1 1 -21 -29 31 o 40.933  6.2061  228.093    59.706   246.023    112.273  221.023    70.502   37.788  11.340  39.192  7.6884  -1.404251      13.70053 
1 1 1 -21 -29 32 o 47.763  5.7712  305.408    65.528   518.911    119.661  213.959    78.314   59.401  8.5484  37.641  8.7421  21.76051       12.22701 
1 1 1 -21 -29 33 f 38.587  6.8366  208.125    61.667   288.782    114.778  175.394    73.117   41.175  11.194  33.874  8.8121  7.301399       14.24647 
1 1 1 -21 -29 34 o 58.408  5.2109  448.639    73.074   434.405    134.243  454.633    87.111   51.022  11.155  57.783  6.3159  -6.761631      12.81864 
1 1 1 -21 -29 35 o 33.980  7.8952  170.200    63.853   150.621    114.435  179.052    76.946   29.739  11.370  33.840  9.1510  -4.101847      14.59536 
1 1 1 -21 -29 36 o 35.880  7.8123  189.046    66.084   128.595    117.602  216.944    79.890   28.160  11.296  37.535  8.9060  -9.374514      14.38477 
1 1 1 -21 -29 37 o 26.700  10.108  111.635    89.870   141.446    142.900  92.129     115.590  28.883  12.108  25.839  10.864  3.043909       16.26756 
1 1 1 -21 -29 38 o 40.461  10.293  272.443    101.289  218.346    160.569  308.197    130.537  32.489  13.140  40.363  12.254  -7.874229      17.96722 
1 1 1 -21 -29 39 o 20.412  9.6293  -39.8712   124.325  -39.8712   124.325  0.0000     0.0000   20.412  9.6293  ?       ?       0.000000       9.629290 
1 1 1 -21 -29 40 o 32.615  12.233  212.651    130.962  212.651    130.962  0.0000     0.0000   32.615  12.233  ?       ?       0.000000       12.23328 
1 1 1 -21 -29 41 o 20.643  9.5804  -8.5713    114.927  -8.5713    114.927  0.0000     0.0000   20.643  9.5804  ?       ?       0.000000       9.580369 
1 1 1 -21 -29 42 o 13.789  6.4164  -28.5576   52.101   -35.0161   120.430  -27.0705   57.789   19.951  9.4316  14.633  6.7920  5.318141       11.62264 
1 1 1 -21 -29 43 o 26.497  7.4423  106.575    49.821   29.165     124.261  121.402    54.384   22.261  10.197  28.088  7.7343  -5.826393      12.79834 
1 1 1 -21 -29 44 o 33.696  9.5411  194.444    81.540   376.765    234.153  169.283    86.984   33.872  14.857  30.671  10.092  3.200686       17.96071 
1 1 1 -21 -29 45 o 37.450  9.4755  238.628    86.172   331.751    259.922  227.129    91.338   31.085  14.420  35.609  10.103  -4.523909      17.60719 
1 1 1 -21 -29 46 o 13.741  6.2783  -13.3293   46.707   219.233    134.702  -45.1120   49.797   30.836  12.181  12.459  5.9402  18.37630       13.55180 
1 1 1 -21 -29 47 o 27.835  7.5852  121.999    52.628   41.071     140.024  135.312    56.791   22.440  10.468  29.107  7.8578  -6.667355      13.08898 
1 1 1 -21 -29 48 o 43.571  5.9585  269.960    61.343   189.073    145.011  287.589    67.699   28.024  11.990  44.431  6.4695  -16.40714      13.62384 
1 1 1 -21 -29 49 o 37.243  6.8103  207.820    59.275   255.703    146.358  198.424    64.830   30.992  12.542  35.338  7.7721  -4.346272      14.75480 
1 1 1 -21 -29 50 o 30.737  7.6629  151.657    56.952   159.001    143.569  150.286    62.042   26.117  11.538  29.903  8.2719  -3.785967      14.19656 
1 1 1 -21 -29 51 o 15.421  6.9465  1.7557     54.765   0.0000     0.0000   1.7557     54.765   ?       ?       15.421  6.9465  0.000000       6.946484 
1 1 1 -21 -29 52 o 48.733  7.2946  366.711    83.604   0.0000     0.0000   366.711    83.604   ?       ?       48.733  7.2946  0.000000       7.294569 
1 1 1 -21 -29 53 f 13.999  6.7342  -55.5025   67.230   0.0000     0.0000   -55.5025   67.230   ?       ?       13.999  6.7342  0.000000       6.734226 
1 1 1 -21 -29 54 o 21.641  8.9504  74.611     76.579   140.221    180.223  60.156     84.596   24.901  11.699  20.873  9.0457  4.027790       14.78855 
1 1 1 -21 -29 55 o ?       ?       -177.9303  49.030   -153.8325  167.507  -180.1884  51.276   18.570  9.2567  ?       ?       0.000000       9.256716 
1 1 1 -21 -29 56 o 18.306  7.8522  35.097     62.483   -128.8401  140.934  75.205     69.709   17.704  8.7681  21.638  8.6909  -3.933739      12.34548 
1 1 1 -21 -29 57 o 29.156  8.8332  151.661    67.885   56.180     156.426  173.816    75.350   22.349  10.619  30.675  9.3091  -8.325897      14.12182 
1 1 1 -21 -29 58 o 20.694  9.6151  40.061     116.287  808.854    287.490  -110.3291  127.153  37.294  16.408  17.108  8.4463  20.18640       18.45396 
1 1 1 -21 -29 59 o 18.441  8.8130  -13.7318   111.000  179.468    260.604  -56.5495   122.685  24.381  12.047  17.863  8.7103  6.518538       14.86633 
1 1 1 -21 -29 60 o 24.310  10.497  140.134    113.094  121.984    303.165  143.068    121.893  22.981  11.590  24.222  10.669  -1.240496      15.75273 
1 1 1 -21 -28 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -28 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -28 3  o 7.8152  3.8476  -49.7560   25.764   0.0000     0.0000   -49.7560   25.764   ?       ?       7.8152  3.8476  0.000000       3.847640 
1 1 1 -21 -28 4  o 27.706  6.6123  112.151    43.834   152.989    88.302   98.797     50.495   29.129  10.163  25.344  7.6048  3.784422       12.69343 
1 1 1 -21 -28 5  f 21.493  6.7983  67.036     39.712   -8.4959    92.779   83.977     43.940   18.929  8.7222  23.773  7.0852  -4.844131      11.23729 
1 1 1 -21 -28 6  o 14.717  6.4217  4.1614     43.241   -77.8477   124.377  15.437     46.118   19.004  9.1462  16.024  6.8062  2.980124       11.40077 
1 1 1 -21 -28 7  o 17.731  6.5203  39.450     36.857   -145.6976  127.174  56.428     38.510   17.663  8.6666  20.113  6.7196  -2.449671      10.96642 
1 1 1 -21 -28 8  o 25.304  6.6426  91.964     41.303   31.149     93.182   106.834    46.076   21.236  9.3421  27.113  6.9664  -5.876717      11.65354 
1 1 1 -21 -28 9  o 51.633  4.7394  348.447    58.714   189.102    132.104  387.672    65.544   31.511  12.173  54.233  5.0384  -22.72228      13.17476 
1 1 1 -21 -28 10 o 53.075  4.5160  364.947    57.605   487.009    118.609  327.268    65.899   56.674  8.9200  49.424  5.5936  7.250290       10.52877 
1 1 1 -21 -28 11 o 7.9427  3.9328  -61.6125   28.299   -101.4294  85.387   -56.6994   29.994   15.280  7.4088  8.5284  4.1894  6.751574       8.511217 
1 1 1 -21 -28 12 o 29.356  6.6560  121.386    46.317   89.992     146.091  124.895    48.837   26.887  11.766  29.633  6.9180  -2.745451      13.64878 
1 1 1 -21 -28 13 o 12.677  5.6123  -5.3094    34.151   -83.3995   86.214   9.2241     37.194   16.020  7.6856  14.520  6.1366  1.500257       9.834946 
1 1 1 -21 -28 14 f 21.554  7.0836  64.095     42.854   100.252    144.748  60.621     44.866   27.554  11.887  21.142  7.2518  6.412313       13.92416 
1 1 1 -21 -28 15 o 48.185  4.7689  301.205    55.024   282.480    107.878  307.789    63.971   41.605  10.643  48.157  5.5780  -6.551590      12.01627 
1 1 1 -21 -28 16 o 46.331  6.9526  297.501    75.747   208.862    137.710  335.951    90.700   33.846  12.574  48.342  8.0131  -14.49648      14.91024 
1 1 1 -21 -28 17 o 31.955  8.2873  151.092    64.798   39.963     123.904  192.927    76.023   24.192  10.701  35.815  8.8090  -11.62313      13.86057 
1 1 1 -21 -28 18 o 17.286  7.3343  15.537     53.458   52.582     112.171  4.6506     60.808   24.230  10.458  17.338  7.5888  6.891867       12.92141 
1 1 1 -21 -28 19 o 27.734  6.5875  107.147    43.672   83.538     77.983   117.934    52.713   24.752  9.4047  28.657  7.4954  -3.905092      12.02623 
1 1 1 -21 -28 20 o 26.329  6.7922  97.254     43.679   111.995    79.417   90.861     52.299   27.349  9.6322  25.180  7.7770  2.169365       12.37986 
1 1 1 -21 -28 21 o 24.436  6.9144  83.817     42.839   104.961    81.369   75.709     50.387   26.738  9.7098  23.286  7.6823  3.451899       12.38130 
1 1 1 -21 -28 22 o 16.870  6.9073  21.686     45.023   42.611     92.535   15.196     51.533   22.604  9.6220  17.066  7.2187  5.538593       12.02879 
1 1 1 -21 -28 23 o 37.375  6.2768  189.670    54.904   114.213    100.036  222.198    65.680   27.773  10.628  40.008  7.0219  -12.23578      12.73821 
1 1 1 -21 -28 24 o 33.661  9.9306  178.100    86.664   360.301    167.145  111.107    101.352  43.029  13.982  27.573  10.660  15.45630       17.58199 
1 1 1 -21 -28 25 o 42.499  9.3699  273.297    94.021   265.580    179.670  276.207    110.335  36.505  14.170  41.218  10.875  -4.713066      17.86220 
1 1 1 -21 -28 26 o 43.096  9.1608  278.388    92.842   351.201    182.406  252.929    107.858  41.341  14.594  39.315  10.918  2.025867       18.22568 
1 1 1 -21 -28 27 o 18.457  7.5348  28.990     53.375   -53.1534   94.633   67.311     64.637   18.152  8.5123  22.822  8.5876  -4.670040      12.09158 
1 1 1 -21 -28 28 o 17.002  7.1223  17.512     49.384   85.999     95.469   -7.5092    57.704   25.590  10.208  16.187  7.2232  9.403318       12.50519 
1 1 1 -21 -28 29 o 28.577  7.5722  117.421    53.347   121.211    100.197  115.922    63.023   28.263  10.679  27.985  8.5183  0.2781315      13.66042 
1 1 1 -21 -28 30 o 21.406  7.6166  60.414     49.780   -47.3255   97.787   98.101     57.835   18.649  8.7157  25.985  8.2026  -7.335527      11.96854 
1 1 1 -21 -28 31 o 18.911  7.5404  35.598     52.071   80.714     102.553  19.928     60.441   25.433  10.421  18.397  7.8018  7.035542       13.01748 
1 1 1 -21 -28 32 o 36.711  7.0844  188.860    60.818   3.6441     116.206  258.731    71.374   22.155  10.037  43.120  7.0666  -20.96444      12.27479 
1 1 1 -21 -28 33 o 50.686  6.1297  345.773    73.854   294.660    125.870  372.609    91.205   41.102  11.923  51.417  7.5340  -10.31499      14.10394 
1 1 1 -21 -28 34 o 52.406  5.8838  367.105    73.524   395.079    125.289  352.411    90.803   49.495  10.741  49.715  7.7828  -0.2199211     13.26427 
1 1 1 -21 -28 35 o 17.459  7.5929  8.7122     60.031   -35.4877   108.021  28.463     72.209   19.860  9.2410  20.011  8.5085  -0.1508751     12.56149 
1 1 1 -21 -28 36 o 18.448  7.8043  22.342     60.249   151.769    105.324  -40.6087   73.454   30.200  11.035  16.247  7.5797  13.95341       13.38718 
1 1 1 -21 -28 37 o 23.238  9.5204  63.740     85.594   18.102     129.280  99.360     114.213  23.240  10.551  26.553  10.952  -3.312176      15.20736 
1 1 1 -21 -28 38 o 19.472  9.3342  -87.0682   126.609  -87.0682   126.609  0.0000     0.0000   19.472  9.3342  ?       ?       0.000000       9.334184 
1 1 1 -21 -28 39 o 51.058  13.783  515.512    174.733  515.512    174.733  0.0000     0.0000   51.058  13.783  ?       ?       0.000000       13.78295 
1 1 1 -21 -28 40 f 51.131  11.157  445.324    134.523  445.324    134.523  0.0000     0.0000   51.131  11.157  ?       ?       0.000000       11.15669 
1 1 1 -21 -28 41 o 28.302  8.6568  125.238    64.981   159.959    134.255  114.616    74.259   29.514  11.988  26.849  9.3227  2.665310       15.18642 
1 1 1 -21 -28 42 o 26.782  7.5760  107.519    51.437   147.436    128.682  99.929     56.115   28.576  11.686  25.596  8.0798  2.979786       14.20758 
1 1 1 -21 -28 43 o 15.320  6.6957  5.0010     47.181   139.421    125.960  -16.9368   50.886   27.863  11.498  14.315  6.5453  13.54822       13.23024 
1 1 1 -21 -28 44 o 14.881  6.7729  -12.9937   53.698   -91.4000   235.098  -8.6780    55.157   23.579  11.611  15.328  6.9318  8.250824       13.52301 
1 1 1 -21 -28 45 o 21.491  8.3504  64.708     62.437   -33.8798   224.847  72.946     64.993   23.962  11.708  22.316  8.5602  1.646307       14.50347 
1 1 1 -21 -28 46 o 14.726  6.4529  4.5229     44.078   168.872    120.042  -21.0891   47.388   28.859  11.467  13.432  6.2047  15.42683       13.03820 
1 1 1 -21 -28 47 o 13.960  6.3127  -8.2737    45.733   89.595     126.888  -22.8848   49.028   24.310  10.788  13.514  6.2666  10.79658       12.47570 
1 1 1 -21 -28 48 o 8.8541  4.4085  -84.2330   37.550   -48.1881   120.914  -88.0804   39.504   18.942  9.0912  9.0766  4.5197  9.865213       10.15269 
1 1 1 -21 -28 49 o 30.044  7.3957  140.413    53.551   31.004     133.977  161.216    58.420   21.781  10.186  32.047  7.6238  -10.26637      12.72350 
1 1 1 -21 -28 50 f 18.506  7.5029  42.662     52.482   0.0000     0.0000   42.662     52.482   ?       ?       18.506  7.5029  0.000000       7.502903 
1 1 1 -21 -28 51 o 20.799  8.5205  62.923     68.549   0.0000     0.0000   62.923     68.549   ?       ?       20.799  8.5205  0.000000       8.520481 
1 1 1 -21 -28 52 o 31.925  8.9443  178.730    72.055   0.0000     0.0000   178.730    72.055   ?       ?       31.925  8.9443  0.000000       8.944330 
1 1 1 -21 -28 53 o 25.853  8.7779  117.924    65.726   241.305    141.837  84.185     74.170   30.190  12.299  22.475  8.9867  7.714743       15.23239 
1 1 1 -21 -28 54 o 29.861  10.126  176.169    87.470   381.980    184.123  116.182    99.404   33.999  13.950  24.602  10.188  9.396931       17.27439 
1 1 1 -21 -28 55 o 12.426  6.1544  -116.0478  69.462   121.073    159.627  -171.4369  77.149   24.705  11.404  12.013  6.0308  12.69181       12.90014 
1 1 1 -21 -28 56 o 13.200  6.2422  -35.2194   52.829   -78.2720   146.552  -28.7893   56.637   19.123  9.3663  13.995  6.5699  5.128043       11.44079 
1 1 1 -21 -28 57 o 16.108  7.1592  9.7394     56.100   -9.4564    141.415  13.325     61.114   20.437  9.8148  16.789  7.4667  3.647299       12.33218 
1 1 1 -21 -28 58 o 18.143  8.6204  -21.2423   103.064  38.920     258.965  -32.5648   112.344  23.404  11.641  18.323  8.7858  5.081533       14.58426 
1 1 1 -21 -28 59 o 26.396  10.949  162.727    115.071  96.564     302.864  173.890    124.400  23.852  11.971  26.643  11.240  -2.790318      16.42056 
1 1 1 -21 -28 60 o 18.158  8.7128  -20.4618   110.896  93.626     265.991  -44.4648   122.006  23.092  11.535  18.050  8.7756  5.042755       14.49376 
1 1 1 -21 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -27 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -27 3  o 13.457  5.9188  -0.3892    37.387   0.0000     0.0000   -0.3892    37.387   ?       ?       13.457  5.9188  0.000000       5.918788 
1 1 1 -21 -27 4  o 27.520  6.2611  107.501    40.866   168.453    85.954   89.699     46.452   31.286  10.013  24.584  7.2754  6.701590       12.37708 
1 1 1 -21 -27 5  o 26.479  7.2670  103.505    48.104   -3.7610    98.925   136.723    55.051   19.898  9.1083  30.328  7.5185  -10.43028      11.81056 
1 1 1 -21 -27 6  o 26.518  9.3986  110.834    75.726   -49.0522   137.904  179.859    90.610   21.050  9.9927  32.523  10.267  -11.47338      14.32713 
1 1 1 -21 -27 7  o 29.487  7.9804  130.402    58.489   114.886    145.035  133.415    63.917   27.625  11.908  29.494  8.4794  -1.868313      14.61846 
1 1 1 -21 -27 8  o 32.050  5.4212  138.055    40.656   78.233     86.864   154.835    46.006   24.224  9.7114  33.738  5.8308  -9.514036      11.32743 
1 1 1 -21 -27 9  o 12.675  5.4768  1.3318     30.827   65.452     95.416   -6.1409    32.574   23.820  9.9324  12.304  5.4626  11.51532       11.33546 
1 1 1 -21 -27 10 o 20.948  6.8115  60.159     39.665   86.616     124.106  57.148     41.860   26.265  11.161  20.589  7.0052  5.675423       13.17698 
1 1 1 -21 -27 11 o 8.4688  4.1686  -59.5195   30.191   -73.2101   122.279  -58.6307   31.155   19.760  9.3890  8.7169  4.2795  11.04344       10.31829 
1 1 1 -21 -27 12 f 46.702  5.1718  285.772    57.622   332.663    163.982  279.167    61.547   40.929  13.865  45.833  5.6542  -4.904808      14.97370 
1 1 1 -21 -27 13 f 30.818  6.1009  129.535    44.006   105.152    92.353   136.697    50.054   26.865  10.228  31.295  6.7872  -4.430002      12.27521 
1 1 1 -21 -27 14 o 16.681  6.3910  29.244     36.200   -45.9873   83.095   46.867     40.217   17.233  8.0473  19.261  6.8468  -2.028149      10.56583 
1 1 1 -21 -27 15 o 13.108  5.7957  -5.5919    36.308   -18.0268   82.152   -2.5734    40.475   18.425  8.3825  14.065  6.1729  4.359568       10.41014 
1 1 1 -21 -27 16 o 27.584  7.6276  109.138    52.764   56.401     78.705   152.189    71.110   22.711  9.1950  31.855  8.8717  -9.143284      12.77709 
1 1 1 -21 -27 17 o 44.544  7.2111  275.258    75.275   394.283    138.412  225.269    89.700   48.626  11.842  38.308  9.6539  10.31815       15.27808 
1 1 1 -21 -27 18 o 20.399  7.8289  47.922     54.380   12.696     108.260  59.809     62.889   22.219  9.9058  22.102  8.4342  0.1176567      13.01000 
1 1 1 -21 -27 19 f 30.223  6.4103  125.278    45.552   14.212     83.239   172.759    54.424   20.322  8.8873  35.544  6.5518  -15.22216      11.04129 
1 1 1 -21 -27 20 o 29.586  6.4229  120.172    44.787   61.447     81.765   145.343    53.531   23.346  9.4000  32.272  7.0348  -8.926273      11.74085 
1 1 1 -21 -27 21 o 80.790  4.1583  826.168    81.238   802.424    135.956  839.353    101.315  76.257  7.4427  80.488  5.2158  -4.231712      9.088324 
1 1 1 -21 -27 22 o 45.757  5.6446  276.170    61.340   315.228    109.064  258.098    74.186   45.163  10.194  43.062  7.3647  2.101418       12.57621 
1 1 1 -21 -27 23 o 35.816  7.0113  177.807    58.750   175.546    104.124  178.863    71.158   32.936  11.049  34.964  8.4758  -2.028042      13.92549 
1 1 1 -21 -27 24 o 44.221  9.1030  289.256    94.418   383.641    176.996  251.714    111.627  44.454  14.383  39.244  11.181  5.210320       18.21826 
1 1 1 -21 -27 25 o 30.895  10.085  147.743    86.913   359.553    167.072  69.157     101.767  43.570  13.962  24.956  10.319  18.61380       17.36138 
1 1 1 -21 -27 26 o 38.730  9.7459  229.781    91.514   370.028    166.768  169.352    109.468  44.315  13.921  32.291  11.313  12.02386       17.93789 
1 1 1 -21 -27 27 o 84.656  4.4286  911.841    90.651   719.716    152.286  1017.28    112.816  70.128  9.1693  88.581  5.2727  -18.45319      10.57720 
1 1 1 -21 -27 28 o 42.048  6.1348  237.055    60.748   253.350    112.499  230.348    72.176   39.287  11.236  40.433  7.6369  -1.145660      13.58544 
1 1 1 -21 -27 29 o 36.116  6.7060  179.070    56.602   92.541     103.500  215.991    67.608   26.510  10.610  39.306  7.3593  -12.79579      12.91278 
1 1 1 -21 -27 30 o 20.229  7.6447  48.283     51.351   89.829     100.262  33.510     59.787   26.190  10.457  19.524  7.9729  6.666510       13.14966 
1 1 1 -21 -27 31 o 51.401  5.7535  349.312    70.527   416.135    121.359  315.235    86.664   52.293  9.9277  47.228  7.8375  5.065010       12.64855 
1 1 1 -21 -27 32 o 30.451  8.2070  135.599    62.013   111.158    106.354  148.188    76.331   27.770  10.868  31.178  9.3489  -3.408079      14.33599 
1 1 1 -21 -27 33 o 26.454  8.3836  101.808    60.370   40.640     106.010  131.166    73.442   23.397  10.133  29.435  9.2365  -6.038095      13.71071 
1 1 1 -21 -27 34 o 18.780  7.7770  27.499     57.919   238.131    102.749  -70.6032   70.122   38.360  10.657  14.701  7.0198  23.65908       12.76157 
1 1 1 -21 -27 35 f 26.498  8.4957  102.949    61.857   24.196     108.964  140.397    75.138   22.658  10.028  30.266  9.3174  -7.608177      13.68873 
1 1 1 -21 -27 36 o 39.134  7.4056  216.519    67.745   244.628    118.689  202.937    82.504   37.559  11.735  36.361  9.3109  1.197857       14.97997 
1 1 1 -21 -27 37 o 29.809  12.324  142.270    145.113  142.270    145.113  0.0000     0.0000   29.809  12.324  ?       ?       0.000000       12.32402 
1 1 1 -21 -27 38 o 32.284  12.787  190.448    148.834  190.448    148.834  0.0000     0.0000   32.284  12.787  ?       ?       0.000000       12.78738 
1 1 1 -21 -27 39 o 35.744  14.465  281.475    194.687  281.475    194.687  0.0000     0.0000   35.744  14.465  ?       ?       0.000000       14.46507 
1 1 1 -21 -27 40 o 36.032  8.3678  194.628    71.757   145.724    146.402  210.092    82.323   29.443  12.292  36.681  9.2509  -7.238516      15.38447 
1 1 1 -21 -27 41 o 37.365  6.6151  195.153    57.779   317.798    159.171  176.540    62.009   38.875  13.640  34.804  7.5592  4.070774       15.59496 
1 1 1 -21 -27 42 o 9.2765  4.5733  -71.8849   36.817   -227.8927  114.615  -53.9355   38.877   15.146  7.5667  10.429  5.0423  4.717061       9.092847 
1 1 1 -21 -27 43 o 20.901  7.2047  61.055     44.311   -58.7435   125.947  77.977     47.337   19.892  9.4737  23.105  7.4346  -3.212654      12.04261 
1 1 1 -21 -27 44 o 26.882  9.3267  117.224    74.315   217.783    227.667  105.231    78.621   30.615  13.939  25.698  9.5100  4.917143       16.87378 
1 1 1 -21 -27 45 o 23.135  9.0977  77.555     74.830   366.494    252.930  49.839     78.337   34.000  15.151  21.204  8.9308  12.79585       17.58701 
1 1 1 -21 -27 46 o 14.056  6.4048  -13.8666   48.202   4.0964     247.447  -14.5751   49.144   25.220  12.314  14.142  6.4531  11.07834       13.90243 
1 1 1 -21 -27 47 o 26.406  7.6342  107.801    51.681   -120.1476  133.327  148.107    56.064   18.260  8.9415  31.191  7.5000  -12.93110      11.67052 
1 1 1 -21 -27 48 o 29.288  7.7647  134.220    56.075   174.214    139.316  126.489    61.256   28.412  11.935  27.869  8.3791  0.5426388      14.58287 
1 1 1 -21 -27 49 o 29.141  8.1579  137.479    59.967   0.0000     0.0000   137.479    59.967   ?       ?       29.141  8.1579  0.000000       8.157912 
1 1 1 -21 -27 50 o 14.748  6.6167  -1.7241    49.123   0.0000     0.0000   -1.7241    49.123   ?       ?       14.748  6.6167  0.000000       6.616731 
1 1 1 -21 -27 51 o 25.365  8.9596  112.101    68.762   0.0000     0.0000   112.101    68.762   ?       ?       25.365  8.9596  0.000000       8.959632 
1 1 1 -21 -27 52 o 19.544  7.8835  51.498     57.626   -106.4267  130.218  89.956     64.260   17.781  8.7334  23.224  8.5970  -5.443024      12.25481 
1 1 1 -21 -27 53 o 22.994  8.5650  87.891     63.979   -8.0801    142.900  111.951    71.551   20.709  9.9244  25.104  9.1068  -4.395496      13.46949 
1 1 1 -21 -27 54 o 45.157  9.7289  360.703    103.453  414.337    195.678  339.896    121.880  34.920  14.361  39.909  11.778  -4.988918      18.57266 
1 1 1 -21 -27 55 o 21.723  9.0619  70.787     79.473   151.042    187.478  53.206     87.747   25.820  12.067  20.874  9.1267  4.946165       15.13002 
1 1 1 -21 -27 56 o 16.862  7.5173  10.944     62.344   414.119    147.772  -76.3583   68.764   41.522  13.112  13.569  6.5952  27.95310       14.67726 
1 1 1 -21 -27 57 o 13.977  6.5813  -32.2266   57.585   -45.2018   139.924  -29.5810   63.183   19.661  9.5207  14.749  6.9288  4.911735       11.77504 
1 1 1 -21 -27 58 o 33.959  11.937  270.142    121.920  259.047    308.926  272.189    132.691  26.692  13.176  32.911  12.320  -6.219620      18.03811 
1 1 1 -21 -27 59 o 21.388  9.8057  53.773     115.267  327.544    271.524  -6.4112    127.308  27.647  13.357  19.780  9.4491  7.866638       16.36101 
1 1 1 -21 -27 60 o 16.606  8.1290  -82.2155   109.930  387.696    290.491  -160.7586  118.762  27.359  13.355  15.546  7.7564  11.81312       15.44371 
1 1 1 -21 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -26 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -26 3  o 13.833  5.9748  4.1376     36.663   0.0000     0.0000   4.1376     36.663   ?       ?       13.833  5.9748  0.000000       5.974829 
1 1 1 -21 -26 4  o 34.513  5.3489  159.994    43.344   112.066    91.787   173.749    49.172   26.649  10.185  35.643  5.8916  -8.993303      11.76591 
1 1 1 -21 -26 5  o 29.495  6.2275  120.985    43.170   67.576     84.734   139.707    50.169   23.319  9.5038  31.402  6.7827  -8.082453      11.67589 
1 1 1 -21 -26 6  o 59.864  5.7940  479.470    83.109   147.545    123.302  755.811    112.505  29.594  11.665  74.680  6.2667  -45.08554      13.24198 
1 1 1 -21 -26 7  o 15.542  6.9212  -5.7644    52.688   -24.8462   121.619  -1.3558    58.458   21.243  9.8575  16.576  7.3406  4.666119       12.29045 
1 1 1 -21 -26 8  o 17.714  6.0273  40.218     30.989   16.163     64.329   47.486     35.362   18.466  7.9452  19.031  6.4387  -0.5654335     10.22660 
1 1 1 -21 -26 9  o 8.3329  3.9954  -30.8327   23.224   -212.7074  83.988   -15.7744   24.167   12.543  6.2963  9.6937  4.4611  2.849419       7.716543 
1 1 1 -21 -26 10 o 42.666  4.9169  236.764    49.971   391.412    108.268  194.902    56.330   51.443  9.0016  37.832  6.3622  13.61115       11.02295 
1 1 1 -21 -26 11 o 34.089  5.5602  154.672    44.405   70.777     95.936   177.546    50.094   24.635  10.085  36.394  5.8726  -11.75904      11.66981 
1 1 1 -21 -26 12 o 28.474  6.4101  111.610    43.219   30.079     114.443  125.172    46.676   23.443  10.332  30.110  6.5732  -6.666729      12.24530 
1 1 1 -21 -26 13 o 15.606  6.2770  19.508     36.419   49.526     82.498   12.242     40.589   22.523  9.3006  15.429  6.4596  7.094419       11.32375 
1 1 1 -21 -26 14 f 58.832  4.3660  440.775    61.881   538.324    116.609  402.535    73.009   61.898  7.9477  55.452  5.4987  6.445816       9.664467 
1 1 1 -21 -26 15 o 13.917  5.9202  5.3802     34.991   -17.2608   66.828   13.932     41.071   16.846  7.6232  15.681  6.5258  1.164800       10.03486 
1 1 1 -21 -26 16 o 9.9895  4.7787  -40.9286   32.802   -49.0886   63.748   -37.9900   38.255   14.834  6.9658  11.264  5.3220  3.570105       8.766212 
1 1 1 -21 -26 17 o 38.761  7.4495  209.906    67.517   136.909    125.989  239.315    79.970   30.090  11.814  40.783  8.3621  -10.69237      14.47371 
1 1 1 -21 -26 18 o 29.924  8.2890  129.940    62.252   170.048    116.212  113.799    73.722   32.423  11.627  27.853  9.2973  4.569317       14.88691 
1 1 1 -21 -26 19 o 51.488  6.5143  356.154    79.563   404.782    142.734  334.233    95.833   49.576  11.996  48.317  8.4838  1.259731       14.69245 
1 1 1 -21 -26 20 o 71.462  4.1842  645.776    72.235   622.279    121.125  658.745    89.989   67.183  7.5618  71.374  5.2327  -4.190338      9.195770 
1 1 1 -21 -26 21 o 15.470  6.5963  7.3568     43.625   48.840     73.198   -15.4941   54.327   21.972  8.8774  15.335  6.9124  6.636675       11.25117 
1 1 1 -21 -26 22 f 19.001  7.3478  38.218     48.168   24.141     75.482   47.888     62.562   20.377  8.6824  21.119  8.3141  -0.7417927     12.02116 
1 1 1 -21 -26 23 o 40.803  6.2541  223.128    59.945   180.568    101.902  245.648    74.127   33.697  10.915  41.991  7.5531  -8.294125      13.27344 
1 1 1 -21 -26 24 o 27.659  7.5755  108.251    52.337   189.815    95.770   73.519     62.494   34.796  10.480  23.582  8.5177  11.21337       13.50525 
1 1 1 -21 -26 25 o 19.889  8.6483  13.050     77.849   -70.3756   144.417  47.222     92.427   21.995  10.377  23.197  9.7318  -1.202087      14.22601 
1 1 1 -21 -26 26 o 22.585  9.1967  51.312     79.262   -75.6117   161.540  91.558     90.964   22.989  10.885  26.225  10.110  -3.235704      14.85541 
1 1 1 -21 -26 27 o 66.117  7.2925  597.769    115.046  725.201    212.644  545.031    136.796  64.029  14.071  60.758  9.5979  3.271587       17.03272 
1 1 1 -21 -26 28 o 49.288  5.4933  317.681    64.578   399.406    114.384  279.444    78.240   52.052  9.4027  44.900  7.4423  7.151802       11.99158 
1 1 1 -21 -26 29 o 25.614  8.3728  92.959     59.904   183.653    104.124  48.089     73.238   33.826  11.038  21.893  8.8678  11.93298       14.15879 
1 1 1 -21 -26 30 o 37.121  7.4119  192.573    64.423   91.350     107.331  249.579    80.546   26.733  10.768  41.780  8.2381  -15.04620      13.55764 
1 1 1 -21 -26 31 o 15.539  6.9827  -13.2877   54.943   46.235     94.103   -44.0722   67.675   23.175  9.7762  15.600  7.2772  7.575324       12.18732 
1 1 1 -21 -26 32 o 18.915  7.7658  28.722     57.102   -31.9580   98.040   59.875     70.247   19.481  8.9727  22.617  8.8379  -3.135639      12.59434 
1 1 1 -21 -26 33 o 59.983  5.3299  468.277    76.764   441.011    131.402  482.404    94.582   53.393  10.517  59.815  6.6282  -6.421402      12.43130 
1 1 1 -21 -26 34 o 17.494  7.5874  7.3033     59.613   158.756    105.159  -64.4166   72.364   31.494  11.085  15.291  7.2529  16.20338       13.24670 
1 1 1 -21 -26 35 o 44.191  6.9746  268.587    72.304   224.143    128.685  289.091    87.406   35.874  12.282  44.790  8.3497  -8.916073      14.85140 
1 1 1 -21 -26 36 o 34.026  12.814  205.755    143.982  205.755    143.982  0.0000     0.0000   34.026  12.814  ?       ?       0.000000       12.81437 
1 1 1 -21 -26 37 o 41.153  13.297  316.661    151.316  316.661    151.316  0.0000     0.0000   41.153  13.297  ?       ?       0.000000       13.29746 
1 1 1 -21 -26 38 o 26.170  12.074  22.868     178.600  22.868     178.600  0.0000     0.0000   26.170  12.074  ?       ?       0.000000       12.07371 
1 1 1 -21 -26 39 o 22.888  9.8922  40.970     100.632  200.871    184.315  -26.9379   120.115  32.770  13.745  21.186  9.8190  11.58395       16.89209 
1 1 1 -21 -26 40 o 20.079  7.0786  52.825     42.900   -49.2779   132.236  64.836     45.354   21.188  9.9756  21.706  7.2921  -0.5181427     12.35668 
1 1 1 -21 -26 41 o 34.262  6.8999  165.408    55.377   222.960    125.723  151.554    61.683   34.856  12.129  32.032  7.9689  2.823498       14.51246 
1 1 1 -21 -26 42 o 27.740  7.5745  112.985    52.417   137.541    129.143  108.142    57.354   28.815  11.737  26.884  8.1134  1.930954       14.26832 
1 1 1 -21 -26 43 o 34.785  6.8140  171.433    55.454   260.923    131.789  152.180    61.129   36.684  12.430  31.914  7.9292  4.770277       14.74362 
1 1 1 -21 -26 44 o 15.258  7.0030  -20.9514   59.004   -104.2354  237.010  -15.4486   60.922   24.191  11.862  15.804  7.2011  8.386723       13.87630 
1 1 1 -21 -26 45 o 38.915  8.9361  238.614    82.597   341.003    242.829  225.218    87.835   34.327  15.091  36.932  9.6830  -2.605103      17.93064 
1 1 1 -21 -26 46 o 53.673  8.1637  434.814    102.966  858.150    284.413  370.959    110.460  51.038  18.201  47.323  9.9362  3.715073       20.73646 
1 1 1 -21 -26 47 o 22.576  7.5620  76.024     48.772   102.371    137.549  72.235     52.161   25.710  11.329  22.114  7.8043  3.596153       13.75680 
1 1 1 -21 -26 48 o 14.368  6.4762  -7.3074    47.683   0.0000     0.0000   -7.3074    47.683   ?       ?       14.368  6.4762  0.000000       6.476201 
1 1 1 -21 -26 49 o 15.467  6.9840  -4.8692    55.740   0.0000     0.0000   -4.8692    55.740   ?       ?       15.467  6.9840  0.000000       6.984046 
1 1 1 -21 -26 50 o 11.832  5.7573  -70.3788   52.786   0.0000     0.0000   -70.3788   52.786   ?       ?       11.832  5.7573  0.000000       5.757265 
1 1 1 -21 -26 51 o 14.926  6.8815  -16.2403   57.863   -62.1250   141.459  -7.0204    63.410   19.618  9.5176  16.030  7.3207  3.587433       12.00738 
1 1 1 -21 -26 52 o 23.222  8.6544  88.674     65.338   77.355     143.227  91.649     73.423   23.568  10.851  23.428  9.0684  0.1399727      14.14166 
1 1 1 -21 -26 53 o 18.112  7.8032  29.284     62.217   97.085     130.141  9.1972     70.836   24.062  10.784  17.514  7.8939  6.548382       13.36477 
1 1 1 -21 -26 54 o 38.792  9.9739  273.253    94.402   353.954    188.809  246.354    109.006  33.259  13.929  34.205  11.300  -0.9455833     17.93621 
1 1 1 -21 -26 55 o 42.934  9.4810  318.910    96.131   260.091    181.314  341.909    113.378  29.836  13.081  41.985  10.998  -12.14879      17.08968 
1 1 1 -21 -26 56 o 23.877  8.6875  95.284     65.182   51.147     142.436  106.975    73.308   22.683  10.573  24.792  9.1814  -2.109838      14.00324 
1 1 1 -21 -26 57 o 19.562  7.8902  50.753     57.718   86.590     130.332  42.010     64.375   23.662  10.682  19.187  8.0894  4.474934       13.39952 
1 1 1 -21 -26 58 o 33.407  11.917  257.426    121.942  572.843    305.988  197.875    132.956  32.568  15.283  28.727  11.829  3.840982       19.32600 
1 1 1 -21 -26 59 o 24.087  10.589  109.022    119.544  393.176    274.983  42.804     132.745  29.347  13.982  21.683  10.141  7.663280       17.27244 
1 1 1 -21 -26 60 o 25.103  10.625  135.598    111.757  -310.0013  318.778  198.039    119.330  ?       ?       28.486  11.396  0.000000       11.39579 
1 1 1 -21 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -25 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -25 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -25 4  o 40.510  5.3389  217.696    51.200   290.178    139.824  206.472    55.021   39.075  12.793  39.014  6.0048  0.6052017E-01  14.13205 
1 1 1 -21 -25 5  o 21.038  5.9871  60.676     32.025   -46.5627   72.832   86.379     35.657   15.948  7.4752  25.069  5.9510  -9.120851      9.554707 
1 1 1 -21 -25 6  o 45.607  6.0098  279.247    64.886   230.772    99.424   315.210    85.637   37.750  10.482  47.075  7.7683  -9.324802      13.04677 
1 1 1 -21 -25 7  o 49.923  6.9298  342.734    81.679   323.806    161.132  349.279    94.755   40.910  13.745  49.296  8.2107  -8.385616      16.01036 
1 1 1 -21 -25 8  o 19.627  6.6280  50.385     37.471   8.0032     131.761  54.114     39.085   23.523  10.669  20.217  6.7695  3.305155       12.63510 
1 1 1 -21 -25 9  o 12.725  5.5243  -0.6438    31.664   -186.3469  81.392   32.474     34.372   12.833  6.4056  16.954  6.2852  -4.121214      8.974176 
1 1 1 -21 -25 10 o 11.754  5.3096  -13.0087   32.254   61.458     81.901   -26.6780   35.090   23.396  9.4121  11.327  5.2693  12.06901       10.78674 
1 1 1 -21 -25 11 o 41.709  4.9024  225.177    48.668   286.655    97.268   204.646    56.209   43.812  9.4291  39.072  6.1308  4.740784       11.24700 
1 1 1 -21 -25 12 o 63.600  4.1824  512.061    64.183   525.728    119.329  506.497    76.134   60.976  8.2794  62.664  5.0501  -1.687710      9.698063 
1 1 1 -21 -25 13 o 55.901  4.3557  397.241    58.614   431.224    110.791  384.032    69.072   54.916  8.5966  54.371  5.3032  0.5454102      10.10074 
1 1 1 -21 -25 14 o 45.937  4.5683  270.055    50.245   324.852    90.225   245.422    60.493   48.056  8.0204  43.013  5.9559  5.042965       9.989964 
1 1 1 -21 -25 15 o 39.554  5.0774  203.154    47.604   136.029    84.055   234.850    57.760   30.066  9.9225  42.170  5.7984  -12.10363      11.49249 
1 1 1 -21 -25 16 o 12.339  5.6734  -23.2454   38.971   0.0000     0.0000   -23.2454   38.971   ?       ?       12.339  5.6734  0.000000       5.673440 
1 1 1 -21 -25 17 o 16.979  7.1022  15.935     49.003   -140.6478  102.610  62.199     55.775   16.416  7.9963  22.146  8.0394  -5.730185      11.33902 
1 1 1 -21 -25 18 o 57.618  6.3239  440.820    86.959   467.108    150.852  427.737    106.419  53.965  11.845  55.221  8.1908  -1.255577      14.40153 
1 1 1 -21 -25 19 o 42.013  7.7358  246.107    75.954   232.442    130.520  253.104    93.397   37.192  12.369  41.283  9.5187  -4.091003      15.60747 
1 1 1 -21 -25 20 o 21.533  7.3129  60.787     45.618   52.700     76.338   65.279     56.894   22.610  9.0901  22.565  8.1305  0.4531670E-01  12.19568 
1 1 1 -21 -25 21 o 30.036  6.7294  123.679    47.827   178.594    80.687   93.933     59.384   34.655  9.3707  25.865  8.3275  8.790133       12.53626 
1 1 1 -21 -25 22 o 70.823  4.3793  634.972    74.886   547.450    122.271  687.509    94.733   62.566  8.2559  72.936  5.3911  -10.37077      9.860221 
1 1 1 -21 -25 23 f 99.406  4.2542  1244.05    102.612  1306.68    170.437  1208.45    128.512  98.441  7.1852  96.674  5.5013  1.766350       9.049371 
1 1 1 -21 -25 24 o 69.801  4.5476  618.820    76.600   533.664    136.302  658.130    92.607   60.414  9.6208  71.358  5.3883  -10.94353      11.02695 
1 1 1 -21 -25 25 o 28.409  9.9101  117.011    83.958   -22.6369   176.925  157.598    95.382   25.641  11.895  32.047  10.570  -6.406803      15.91267 
1 1 1 -21 -25 26 o 15.750  7.4299  -61.2726   74.020   -110.2682  165.100  -48.9468   82.809   22.502  10.752  17.331  8.0731  5.171120       13.44583 
1 1 1 -21 -25 27 o 32.738  10.285  164.242    91.038   203.926    192.567  152.819    103.313  34.650  14.248  31.497  10.993  3.153215       17.99554 
1 1 1 -21 -25 28 o 53.603  5.6545  375.429    72.434   415.738    125.329  355.211    88.760   52.586  10.190  50.885  7.4062  1.701286       12.59738 
1 1 1 -21 -25 29 o 16.614  7.2422  1.7343     54.878   -42.3623   97.208   22.363     66.486   19.108  8.8479  19.459  8.2134  -0.3504658     12.07246 
1 1 1 -21 -25 30 o 21.032  8.0574  50.381     57.538   -37.7546   108.641  84.741     67.833   20.344  9.3966  24.957  8.8899  -4.613207      12.93550 
1 1 1 -21 -25 31 o 37.977  7.3508  200.093    65.288   265.080    118.699  171.904    78.176   40.338  11.543  33.968  9.2399  6.370338       14.78558 
1 1 1 -21 -25 32 o 50.687  5.8969  338.843    71.169   253.744    124.481  380.167    86.744   38.962  11.992  52.963  6.9150  -14.00114      13.84318 
1 1 1 -21 -25 33 o 70.598  5.1339  642.740    87.341   765.007    158.005  588.942    104.809  72.672  9.1644  66.309  6.6020  6.362610       11.29483 
1 1 1 -21 -25 34 o 77.622  5.3942  781.648    100.965  852.934    222.874  763.241    113.253  70.494  13.522  75.920  6.2021  -5.426102      14.87643 
1 1 1 -21 -25 35 f 45.295  12.889  358.240    148.418  358.240    148.418  0.0000     0.0000   45.295  12.889  ?       ?       0.000000       12.88856 
1 1 1 -21 -25 36 o 26.725  11.519  72.146     135.706  72.146     135.706  0.0000     0.0000   26.725  11.519  ?       ?       0.000000       11.51928 
1 1 1 -21 -25 37 o 17.669  8.0856  -25.7140   77.869   -13.6252   134.581  -31.7979   95.474   22.996  10.562  19.198  8.8469  3.798021       13.77799 
1 1 1 -21 -25 38 o 28.399  10.877  119.968    104.846  225.038    188.043  72.567     126.301  34.563  14.130  26.169  11.193  8.394115       18.02589 
1 1 1 -21 -25 39 o 47.859  7.6529  322.684    85.876   218.446    202.514  345.537    94.823   33.931  14.329  49.006  8.2687  -15.07511      16.54359 
1 1 1 -21 -25 40 o 40.576  6.1479  222.483    58.633   237.706    200.045  221.053    61.326   34.490  14.382  40.205  6.5088  -5.715530      15.78595 
1 1 1 -21 -25 41 o 20.711  7.4469  55.884     47.704   44.242     118.942  58.115     52.076   24.054  10.569  21.178  7.7560  2.875780       13.10935 
1 1 1 -21 -25 42 o 41.286  6.3613  233.393    61.679   472.847    139.306  175.006    68.788   53.629  11.072  34.241  8.3537  19.38864       13.87011 
1 1 1 -21 -25 43 o 44.580  5.8341  267.945    61.592   133.022    175.500  286.897    65.776   29.136  12.819  45.987  6.0409  -16.85072      14.17109 
1 1 1 -21 -25 44 o 35.712  9.7101  206.584    86.357   561.781    259.073  162.186    91.595   43.695  17.001  31.013  10.363  12.68187       19.91033 
1 1 1 -21 -25 45 o 20.740  8.2927  51.079     63.154   13.841     248.453  53.652     65.299   26.622  12.840  21.082  8.4313  5.540749       15.36111 
1 1 1 -21 -25 46 o 48.880  8.5745  364.903    97.988   458.048    264.431  350.077    105.498  37.464  16.114  46.577  9.6521  -9.112675      18.78357 
1 1 1 -21 -25 47 o 39.211  8.4079  237.486    77.593   0.0000     0.0000   237.486    77.593   ?       ?       39.211  8.4079  0.000000       8.407902 
1 1 1 -21 -25 48 o 16.730  7.5835  -5.9617    66.460   0.0000     0.0000   -5.9617    66.460   ?       ?       16.730  7.5835  0.000000       7.583492 
1 1 1 -21 -25 49 o 20.173  8.4535  45.427     69.611   0.0000     0.0000   45.427     69.611   ?       ?       20.173  8.4535  0.000000       8.453465 
1 1 1 -21 -25 50 o 29.021  8.7522  140.126    66.757   62.017     154.491  158.059    74.025   23.944  11.111  30.362  9.2297  -6.417953      14.44433 
1 1 1 -21 -25 51 o 24.313  9.3232  99.195     77.081   74.335     135.445  111.104    93.741   23.705  10.777  25.113  10.081  -1.408068      14.75693 
1 1 1 -21 -25 52 f 22.994  8.3985  84.635     61.002   18.200     129.306  103.654    69.185   21.365  9.9969  24.738  8.9580  -3.373705      13.42322 
1 1 1 -21 -25 53 o 13.711  6.4420  -31.9194   54.642   -114.5985  120.436  -10.4887   61.316   17.161  8.4229  15.618  7.1572  1.542993       11.05309 
1 1 1 -21 -25 54 o 21.187  8.8933  60.954     77.252   272.857    155.408  -8.5910    89.031   32.069  12.943  18.116  8.4160  13.95285       15.43828 
1 1 1 -21 -25 55 o 15.924  7.3986  -19.6394   68.843   44.233     147.163  -37.5328   77.891   22.695  10.634  16.023  7.5780  6.671877       13.05780 
1 1 1 -21 -25 56 o 18.099  7.7703  28.575     61.286   -71.3331   135.835  54.110     68.672   19.138  9.2944  20.421  8.4632  -1.282827      12.57031 
1 1 1 -21 -25 57 o 17.558  7.7085  18.774     63.167   376.463    137.386  -77.1104   71.131   41.175  12.586  13.894  6.7424  27.28122       14.27842 
1 1 1 -21 -25 58 f 15.285  7.5237  -120.6668  98.364   -132.6206  291.783  -119.1342  104.479  22.854  11.506  15.825  7.7827  7.029681       13.89088 
1 1 1 -21 -25 59 o 19.567  9.1551  3.6293     108.427  171.402    326.633  -17.1476   114.945  25.904  12.915  19.204  9.1184  6.699945       15.80934 
1 1 1 -21 -25 60 o 19.048  8.8696  8.0999     99.820   -132.0869  362.193  19.623     103.841  ?       ?       19.694  9.1283  0.000000       9.128332 
1 1 1 -21 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -24 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -24 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -24 4  o 10.275  4.5710  -6.3606    22.921   -24.0874   93.870   -5.2366    23.637   19.235  8.8299  10.562  4.6729  8.673287       9.990112 
1 1 1 -21 -24 5  o 26.963  5.6379  97.987     35.698   84.954     75.629   101.724    40.493   24.905  9.3052  27.205  6.2639  -2.299595      11.21713 
1 1 1 -21 -24 6  o 50.504  4.2182  324.509    51.218   667.213    102.276  209.795    59.173   70.991  5.9936  39.332  6.4220  31.65870       8.784344 
1 1 1 -21 -24 7  f 56.657  6.3170  429.157    85.363   448.414    162.235  421.784    100.383  50.616  13.106  54.950  7.7436  -4.333115      15.22289 
1 1 1 -21 -24 8  o 10.334  5.1026  -94.2080   46.451   79.841     105.858  -135.7127  51.694   25.938  10.603  9.9865  5.0026  15.95146       11.72357 
1 1 1 -21 -24 9  o 20.271  6.8734  53.420     40.299   89.166     107.776  47.610     43.451   26.679  10.774  19.696  7.1041  6.983412       12.90571 
1 1 1 -21 -24 10 o 40.458  5.1587  212.854    49.489   252.519    100.753  200.241    56.815   40.501  10.245  38.626  6.2776  1.874916       12.01543 
1 1 1 -21 -24 11 o 83.363  4.0481  872.939    81.882   878.568    143.152  870.202    99.824   80.217  7.4393  82.353  5.0196  -2.135788      8.974422 
1 1 1 -21 -24 12 o 47.682  4.5491  290.230    51.993   267.490    101.804  298.254    60.475   41.935  10.121  47.937  5.2872  -6.001869      11.41867 
1 1 1 -21 -24 13 o 44.185  4.6438  249.908    49.042   121.211    86.838   310.177    59.426   28.788  10.077  49.037  5.0675  -20.24880      11.27911 
1 1 1 -21 -24 14 o 16.745  6.2915  29.909     34.668   25.534     65.942   31.580     40.755   19.677  8.2355  17.606  6.7727  2.071449       10.66267 
1 1 1 -21 -24 15 o 41.408  5.3631  223.222    52.618   275.739    123.073  211.475    58.206   41.271  11.734  39.835  6.2258  1.436413       13.28358 
1 1 1 -21 -24 16 o 75.672  4.0791  720.003    74.620   641.130    125.883  762.730    92.652   68.403  7.7196  77.242  4.9699  -8.839874      9.181104 
1 1 1 -21 -24 17 o 21.809  7.6541  60.938     50.120   73.098     74.753   51.008     67.553   24.290  9.2130  21.929  8.6374  2.361172       12.62876 
1 1 1 -21 -24 18 o 57.610  6.8730  444.707    94.179   400.227    150.444  473.371    120.770  49.402  12.531  57.717  8.9105  -8.314919      15.37636 
1 1 1 -21 -24 19 o 75.804  6.1549  752.880    112.230  609.539    174.984  853.051    146.279  62.184  12.032  79.092  7.7208  -16.90797      14.29638 
1 1 1 -21 -24 20 o 51.830  4.8378  343.349    60.137   310.083    97.823   363.559    76.247   46.514  8.9928  52.595  6.0871  -6.080753      10.85926 
1 1 1 -21 -24 21 o 52.671  4.5916  352.688    58.094   313.565    99.200   373.109    71.670   46.728  9.0763  53.610  5.5920  -6.881870      10.66066 
1 1 1 -21 -24 22 o 30.017  7.1093  124.155    50.982   106.910    121.039  127.874    56.212   28.757  11.487  30.235  7.6548  -1.477898      13.80364 
1 1 1 -21 -24 23 o 27.207  7.7829  103.527    53.973   -82.0614   116.135  154.653    60.955   19.636  9.2763  33.277  7.7016  -13.64156      12.05669 
1 1 1 -21 -24 24 o 46.052  5.8573  277.878    63.969   249.157    134.331  286.301    72.747   38.796  12.528  46.265  6.6733  -7.469543      14.19469 
1 1 1 -21 -24 25 o 43.809  10.589  292.138    111.306  0.0000     0.0000   292.138    111.306  ?       ?       43.809  10.589  0.000000       10.58856 
1 1 1 -21 -24 26 o 73.262  8.5346  749.830    148.871  0.0000     0.0000   749.830    148.871  ?       ?       73.262  8.5346  0.000000       8.534643 
1 1 1 -21 -24 27 o 43.139  10.872  287.442    113.760  0.0000     0.0000   287.442    113.760  ?       ?       43.139  10.872  0.000000       10.87211 
1 1 1 -21 -24 28 o 32.986  8.0348  154.038    63.713   97.257     112.280  181.004    77.377   27.735  11.068  35.229  9.0148  -7.494101      14.27491 
1 1 1 -21 -24 29 o 82.431  4.6362  862.481    92.352   883.890    154.359  850.545    115.256  80.017  8.0601  80.744  5.9242  -0.7273712     10.00304 
1 1 1 -21 -24 30 o 47.787  6.2310  302.702    70.530   361.565    125.961  275.818    85.125   48.329  10.990  44.255  8.2303  4.073662       13.73015 
1 1 1 -21 -24 31 o 19.936  8.1411  33.107     62.334   -34.5113   127.164  54.493     71.515   22.087  10.189  22.453  8.8733  -0.3654900     13.51151 
1 1 1 -21 -24 32 f 48.256  6.7451  313.464    76.819   424.185    143.579  269.057    90.928   51.546  11.742  43.059  8.9931  8.486801       14.79023 
1 1 1 -21 -24 33 o 54.369  7.8930  410.705    101.082  426.595    147.059  396.475    139.171  51.304  12.023  49.714  11.727  1.589985       16.79546 
1 1 1 -21 -24 34 o 91.220  8.8621  1184.66    193.676  1184.66    193.676  0.0000     0.0000   91.220  8.8621  ?       ?       0.000000       8.862097 
1 1 1 -21 -24 35 o 25.540  11.207  43.602     133.339  43.602     133.339  0.0000     0.0000   25.540  11.207  ?       ?       0.000000       11.20662 
1 1 1 -21 -24 36 f 18.933  8.1491  13.781     67.718   -67.3159   173.693  28.318     73.537   23.989  11.336  20.503  8.6451  3.486435       14.25674 
1 1 1 -21 -24 37 o 21.257  8.5211  45.936     66.867   178.163    138.614  5.8344     76.336   32.847  12.525  19.286  8.4705  13.56058       15.12008 
1 1 1 -21 -24 38 o 47.200  8.1983  316.935    90.484   500.159    203.936  272.024    100.967  50.010  15.343  42.097  10.028  7.913105       18.32896 
1 1 1 -21 -24 39 o 39.976  8.5013  232.414    79.923   281.848    178.277  219.980    89.411   37.958  14.266  37.910  9.6849  0.4764175E-01  17.24293 
1 1 1 -21 -24 40 o 30.635  8.9720  141.018    70.970   291.178    145.172  93.860     81.354   39.913  13.034  25.869  9.6538  14.04415       16.21950 
1 1 1 -21 -24 41 o 16.113  6.8431  11.280     46.607   -23.5918   135.921  15.926     49.615   22.517  10.439  16.892  7.1106  5.625605       12.63082 
1 1 1 -21 -24 42 o 31.671  7.5891  144.547    57.556   427.001    142.810  89.769     62.890   50.079  11.924  24.955  8.5843  25.12389       14.69264 
1 1 1 -21 -24 43 o 34.274  7.1678  166.755    57.693   272.060    148.508  148.038    62.610   37.355  13.170  31.609  8.1203  5.746145       15.47220 
1 1 1 -21 -24 44 o 57.498  7.3133  466.821    99.721   509.709    156.869  437.736    129.183  53.637  12.314  51.859  10.624  1.777489       16.26309 
1 1 1 -21 -24 45 o 24.820  9.9813  86.096     92.069   150.369    214.408  71.565     101.947  29.750  13.538  24.214  10.193  5.536560       16.94594 
1 1 1 -21 -24 46 o 29.702  11.073  155.706    106.985  0.0000     0.0000   155.706    106.985  ?       ?       29.702  11.073  0.000000       11.07335 
1 1 1 -21 -24 47 o 31.306  9.1524  158.803    73.911   0.0000     0.0000   158.803    73.911   ?       ?       31.306  9.1524  0.000000       9.152442 
1 1 1 -21 -24 48 o 11.515  5.7161  -122.4805  61.217   0.0000     0.0000   -122.4805  61.217   ?       ?       11.515  5.7161  0.000000       5.716086 
1 1 1 -21 -24 49 o 25.303  8.1804  100.232    57.260   -191.6498  147.804  151.775    62.110   17.940  8.9013  31.170  8.1282  -13.22991      12.05404 
1 1 1 -21 -24 50 o 21.390  7.9368  66.489     54.834   100.350    105.087  53.820     64.278   24.874  10.402  20.535  8.3111  4.339468       13.31471 
1 1 1 -21 -24 51 o 25.987  8.5852  110.974    62.919   201.475    114.958  72.268     75.179   31.103  11.502  22.265  8.9963  8.838556       14.60208 
1 1 1 -21 -24 52 o 20.465  8.2458  56.137     62.967   79.511     125.539  48.279     72.784   23.749  10.622  20.310  8.5842  3.439243       13.65679 
1 1 1 -21 -24 53 o 18.154  7.8500  26.381     63.428   -46.6235   125.881  51.223     73.431   19.301  9.2669  20.486  8.6386  -1.185417      12.66883 
1 1 1 -21 -24 54 o 18.579  8.3452  15.580     78.387   188.895    150.879  -48.4957   91.740   28.386  12.190  16.896  8.0576  11.48968       14.61199 
1 1 1 -21 -24 55 o 27.309  9.7048  135.045    80.794   -34.6560   160.408  192.732    93.524   21.203  10.249  31.672  10.467  -10.46831      14.64941 
1 1 1 -21 -24 56 o 24.409  8.7978  98.757     66.622   -80.9671   145.299  146.600    74.966   19.524  9.5113  28.858  9.3633  -9.334282      13.34674 
1 1 1 -21 -24 57 f 15.172  7.0056  -17.8871   60.314   208.422    138.556  -70.7971   66.995   29.897  12.165  13.677  6.6141  16.22079       13.84692 
1 1 1 -21 -24 58 o 24.432  10.368  103.132    106.851  153.372    358.342  98.228     111.944  26.557  13.284  24.203  10.447  2.354155       16.89984 
1 1 1 -21 -24 59 o 33.919  12.049  264.662    124.536  475.252    344.782  233.065    133.552  29.967  14.610  30.985  12.164  -1.018730      19.01090 
1 1 1 -21 -24 60 o 19.502  9.0486  12.956     102.431  362.512    361.931  -17.4800   106.797  27.413  13.655  18.637  8.8315  8.775818       16.26218 
1 1 1 -21 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -23 3  o 21.213  6.7239  61.076     38.831   0.0000     0.0000   61.076     38.831   ?       ?       21.213  6.7239  0.000000       6.723885 
1 1 1 -21 -23 4  o 17.922  5.8287  41.583     29.044   38.444     88.735   41.959     30.737   22.262  9.4476  18.070  6.0020  4.191696       11.19290 
1 1 1 -21 -23 5  o 23.527  5.9565  75.193     34.036   -10.5655   91.428   88.991     36.672   19.855  8.9567  25.594  6.0081  -5.739357      10.78518 
1 1 1 -21 -23 6  o 20.794  5.9815  58.201     31.799   44.696     64.773   62.490     36.500   21.014  8.3998  21.490  6.4695  -0.4758530     10.60238 
1 1 1 -21 -23 7  o 32.242  7.7803  147.377    60.170   306.794    125.074  99.373     68.634   43.451  11.632  26.458  8.9700  16.99232       14.68920 
1 1 1 -21 -23 8  o 24.648  8.2548  83.782     58.119   200.583    121.149  48.866     66.238   34.992  11.917  21.552  8.5326  13.43978       14.65691 
1 1 1 -21 -23 9  o 67.685  4.1564  577.841    67.931   582.782    122.363  575.640    81.674   64.864  7.9405  66.945  5.0656  -2.080589      9.418701 
1 1 1 -21 -23 10 o 45.827  4.7395  268.999    51.939   285.011    97.456   262.647    61.384   44.061  9.4022  44.711  5.7943  -0.6507912     11.04430 
1 1 1 -21 -23 11 o 62.684  4.2267  496.004    63.912   494.577    114.802  496.645    76.937   59.623  8.1489  62.149  5.1483  -2.526554      9.638943 
1 1 1 -21 -23 12 o 91.278  4.0247  1043.60    89.138   990.694    146.190  1074.90    112.463  85.957  7.0720  91.673  5.0758  -5.715469      8.704963 
1 1 1 -21 -23 13 o 30.879  5.9894  127.263    43.257   148.130    77.644   117.871    52.089   31.729  9.4097  29.116  7.3672  2.612318       11.95068 
1 1 1 -21 -23 14 o 24.203  6.4980  79.554     38.964   107.983    71.919   67.742     46.356   27.621  9.1812  22.549  7.3652  5.071402       11.77033 
1 1 1 -21 -23 15 o 28.360  6.1570  108.053    41.153   132.368    75.371   97.725     49.122   30.193  9.3379  26.578  7.3634  3.615452       11.89185 
1 1 1 -21 -23 16 o 11.708  5.3237  -16.6943   33.073   -16.2212   63.866   -16.8676   38.661   16.749  7.5274  12.789  5.7918  3.960303       9.497664 
1 1 1 -21 -23 17 o 36.405  5.8041  174.216    49.548   149.585    83.015   187.847    61.754   31.889  9.7897  37.166  7.1069  -5.276482      12.09740 
1 1 1 -21 -23 18 o 56.266  6.7469  420.526    90.275   361.415    144.008  458.792    115.868  47.412  12.383  57.348  8.5914  -9.935841      15.07150 
1 1 1 -21 -23 19 o 30.852  8.7607  136.029    68.645   87.292     114.396  163.454    85.812   27.484  11.100  33.267  9.8984  -5.782436      14.87249 
1 1 1 -21 -23 20 o 17.606  6.8611  29.168     42.249   -92.4928   104.435  52.975     46.198   18.253  8.6741  20.743  7.3420  -2.489641      11.36423 
1 1 1 -21 -23 21 o 13.586  5.9627  -4.9143    37.763   -25.1085   69.685   3.4817     44.932   17.045  7.7415  15.478  6.6494  1.567583       10.20515 
1 1 1 -21 -23 22 o 47.936  4.7881  292.780    54.946   341.194    96.122   269.283    66.966   49.626  8.2740  45.199  6.2753  4.427135       10.38453 
1 1 1 -21 -23 23 o 24.942  8.0034  84.595     54.886   -8.9965    101.101  123.705    65.356   21.253  9.5166  29.543  8.5978  -8.290377      12.82523 
1 1 1 -21 -23 24 f 21.315  7.8976  53.220     54.254   37.015     96.512   60.707     65.600   23.326  9.8734  22.826  8.6371  0.5001698      13.11807 
1 1 1 -21 -23 25 o 25.502  9.7764  79.238     84.741   229.884    190.247  41.952     94.648   36.975  14.517  23.475  9.8483  13.49975       17.54223 
1 1 1 -21 -23 26 o 56.350  8.1671  437.791    108.413  556.221    219.734  399.687    124.639  54.860  15.707  52.103  10.224  2.756992       18.74167 
1 1 1 -21 -23 27 o 38.156  9.8790  215.755    92.181   326.978    208.267  188.658    102.798  41.704  15.469  35.099  10.914  6.605228       18.93162 
1 1 1 -21 -23 28 o 19.534  7.9387  30.885     58.914   -34.7659   121.826  50.924     67.307   21.879  10.049  22.005  8.6362  -0.1263885     13.25033 
1 1 1 -21 -23 29 o 33.381  8.1855  157.588    65.792   116.680    128.265  172.194    76.642   29.666  11.833  34.443  9.0521  -4.777021      14.89816 
1 1 1 -21 -23 30 o 26.226  8.7525  95.393     65.335   269.411    128.958  35.301     75.781   40.714  12.139  21.417  8.8844  19.29698       15.04272 
1 1 1 -21 -23 31 o 28.255  8.6699  113.856    65.119   198.615    131.365  86.243     74.980   35.043  12.383  25.530  9.3131  9.512926       15.49443 
1 1 1 -21 -23 32 o 102.693 5.8629  1370.49    145.483  1316.64    199.938  1431.09    212.085  97.089  8.5753  100.982 8.7419  -3.893120      12.24569 
1 1 1 -21 -23 33 o 58.846  11.549  540.139    159.007  540.139    159.007  0.0000     0.0000   58.846  11.549  ?       ?       0.000000       11.54858 
1 1 1 -21 -23 34 o 51.674  12.241  433.586    151.128  433.586    151.128  0.0000     0.0000   51.674  12.241  ?       ?       0.000000       12.24147 
1 1 1 -21 -23 35 o 72.682  5.0169  677.087    87.935   635.435    159.978  695.120    105.263  65.007  10.500  72.816  6.0115  -7.808434      12.09927 
1 1 1 -21 -23 36 o 40.867  7.4229  230.792    70.895   273.708    149.737  218.393    80.488   39.462  13.250  38.830  8.7521  0.6317558      15.87947 
1 1 1 -21 -23 37 o 34.490  6.3625  160.567    51.284   219.989    120.420  147.402    56.681   36.516  11.868  32.487  7.3609  4.029068       13.96539 
1 1 1 -21 -23 38 o 19.965  8.0252  37.469     59.490   73.638     140.240  29.533     65.694   27.213  11.720  19.881  8.2617  7.331617       14.33909 
1 1 1 -21 -23 39 o 25.292  8.9321  88.881     68.338   251.537    149.290  45.762     76.865   37.468  13.205  21.985  9.0162  15.48265       15.98966 
1 1 1 -21 -23 40 o 26.923  9.0314  105.294    69.569   221.745    152.823  74.854     78.135   35.211  13.213  24.275  9.3664  10.93668       16.19642 
1 1 1 -21 -23 41 o 16.295  6.9627  9.4325     48.792   -61.0974   111.242  26.233     54.293   19.487  9.1671  18.361  7.5594  1.125267       11.88190 
1 1 1 -21 -23 42 o 42.710  6.8848  251.416    68.923   433.425    144.758  198.060    78.377   50.777  11.949  36.318  8.9515  14.45839       14.92973 
1 1 1 -21 -23 43 o 26.215  8.6149  101.165    63.387   146.722    134.683  88.203     71.840   30.062  12.078  24.945  9.1136  5.116144       15.13079 
1 1 1 -21 -23 44 o 39.678  7.3717  223.673    68.359   351.583    143.154  185.891    77.803   43.663  12.730  34.721  9.1181  8.942253       15.65837 
1 1 1 -21 -23 45 o 38.464  12.014  270.108    124.420  0.0000     0.0000   270.108    124.420  ?       ?       38.464  12.014  0.000000       12.01440 
1 1 1 -21 -23 46 o 19.008  8.7640  -20.0844   93.877   0.0000     0.0000   -20.0844   93.877   ?       ?       19.008  8.7640  0.000000       8.763985 
1 1 1 -21 -23 47 o 24.270  8.9474  87.738     69.466   0.0000     0.0000   87.738     69.466   ?       ?       24.270  8.9474  0.000000       8.947367 
1 1 1 -21 -23 48 o 21.732  8.2667  64.900     60.294   25.188     141.395  73.725     66.658   23.303  10.748  22.759  8.6837  0.5433655      13.81770 
1 1 1 -21 -23 49 o 31.685  8.1217  155.410    62.730   20.753     112.978  215.426    75.425   21.571  9.8202  37.082  8.5567  -15.51129      13.02510 
1 1 1 -21 -23 50 o 15.290  6.8317  -2.1573    51.797   162.352    99.925   -62.6027   60.570   29.506  10.753  13.333  6.4085  16.17343       12.51800 
1 1 1 -21 -23 51 o 13.267  6.2582  -37.8585   52.497   49.194     98.716   -72.1861   61.990   21.806  9.6034  13.106  6.3440  8.700411       11.50968 
1 1 1 -21 -23 52 o 23.737  8.7093  90.196     65.707   251.702    134.385  39.454     75.325   33.264  12.409  19.954  8.5914  13.30992       15.09265 
1 1 1 -21 -23 53 o 36.279  8.3972  211.063    72.458   329.742    147.319  173.192    83.220   37.075  13.112  30.973  9.8461  6.101517       16.39748 
1 1 1 -21 -23 54 o 20.063  8.7881  36.875     81.684   80.615     164.553  22.573     94.096   24.522  11.409  20.015  9.0524  4.507446       14.56374 
1 1 1 -21 -23 55 o 35.159  10.057  223.330    90.119   198.880    170.968  232.737    106.048  28.649  12.627  34.157  11.139  -5.507444      16.83779 
1 1 1 -21 -23 56 o 16.550  7.3927  4.6382     60.615   225.502    145.571  -41.6883   66.670   30.804  12.493  14.814  7.0076  15.99015       14.32449 
1 1 1 -21 -23 57 o 16.829  7.4841  7.9402     61.397   -46.7459   149.098  19.107     67.375   20.612  9.9427  18.058  7.9438  2.553764       12.72645 
1 1 1 -21 -23 58 o 28.656  11.392  172.906    118.525  -59.8869   360.848  201.059    125.488  24.939  12.585  30.136  11.802  -5.197117      17.25358 
1 1 1 -21 -23 59 o 27.027  10.919  148.121    110.738  364.685    335.361  121.618    117.318  29.023  14.206  25.381  10.820  3.641613       17.85683 
1 1 1 -21 -23 60 o 15.567  7.6050  -93.9181   94.770   8.2102     354.105  -101.7976  98.358   24.470  12.363  15.659  7.6706  8.810926       14.54914 
1 1 1 -21 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -22 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -22 3  o 29.903  5.0928  117.396    35.628   0.0000     0.0000   117.396    35.628   ?       ?       29.903  5.0928  0.000000       5.092787 
1 1 1 -21 -22 4  o 10.983  4.7546  -1.1129    23.322   -73.0944   67.493   8.6470     24.853   14.376  6.8710  12.494  5.1258  1.881829       8.572323 
1 1 1 -21 -22 5  o 20.374  5.8533  55.515     30.467   151.462    70.802   33.712     33.751   32.175  8.8104  17.148  6.2495  15.02776       10.80182 
1 1 1 -21 -22 6  o 21.315  6.6017  60.851     37.656   11.960     64.977   85.576     46.207   18.592  7.9919  24.869  7.2270  -6.277241      10.77498 
1 1 1 -21 -22 7  o 74.649  5.9099  727.775    106.170  693.953    196.271  741.765    126.234  65.059  12.889  74.232  7.0949  -9.172302      14.71262 
1 1 1 -21 -22 8  o 93.045  5.9422  1128.41    133.452  1049.17    233.938  1166.64    162.484  81.427  12.217  93.067  7.2526  -11.64021      14.20790 
1 1 1 -21 -22 9  o 55.353  4.2373  386.903    56.479   391.065    103.616  385.144    67.366   52.860  8.3565  54.734  5.1324  -1.874310      9.806746 
1 1 1 -21 -22 10 o 44.606  4.6609  253.907    49.701   236.214    89.762   261.729    59.686   40.200  9.3747  44.815  5.6119  -4.614601      10.92609 
1 1 1 -21 -22 11 o 57.113  4.2441  411.298    58.395   352.050    99.646   442.289    72.066   50.108  8.4995  58.750  5.1062  -8.642349      9.915384 
1 1 1 -21 -22 12 o 46.063  6.0153  278.368    65.626   233.780    89.114   331.204    97.006   40.127  9.3295  48.598  8.5380  -8.471741      12.64663 
1 1 1 -21 -22 13 o 50.164  5.8755  328.048    70.160   275.889    94.915   390.878    104.173  43.830  9.2171  53.061  8.3685  -9.231026      12.44939 
1 1 1 -21 -22 14 f 98.589  4.0636  1214.21    97.209   1092.83    156.985  1289.69    123.799  90.574  7.2026  100.682 5.0841  -10.10728      8.816216 
1 1 1 -21 -22 15 o 72.665  4.1009  661.520    72.010   707.814    117.685  633.814    91.043   73.308  6.6899  70.333  5.3756  2.974915       8.582090 
1 1 1 -21 -22 16 o 52.967  5.1337  358.784    65.151   426.174    131.605  336.907    74.984   53.864  10.447  50.716  6.2240  3.147503       12.16013 
1 1 1 -21 -22 17 o 19.035  6.9852  41.042     42.270   86.464     71.456   16.591     52.427   25.681  9.1267  17.665  7.3639  8.016546       11.72707 
1 1 1 -21 -22 18 o 50.780  6.4934  339.320    78.175   386.431    135.198  315.657    95.818   50.564  11.304  47.612  8.6109  2.951370       14.20978 
1 1 1 -21 -22 19 o 64.686  5.9268  541.246    91.989   623.961    151.761  493.204    115.659  66.265  9.7283  60.141  8.1345  6.123802       12.68109 
1 1 1 -21 -22 20 o 26.575  8.5786  96.626     62.989   199.835    112.731  49.778     75.951   36.196  11.455  22.752  9.0953  13.44415       14.62654 
1 1 1 -21 -22 21 f 59.570  4.6358  448.310    66.479   317.540    107.507  529.270    84.590   46.985  9.7494  64.264  5.4771  -17.27916      11.18256 
1 1 1 -21 -22 22 o 55.231  4.7489  386.460    63.022   381.688    102.151  389.392    80.077   52.760  8.2496  54.684  6.1413  -1.923450      10.28453 
1 1 1 -21 -22 23 o 24.413  8.2778  78.440     58.450   60.283     113.921  84.928     68.097   26.078  10.862  25.449  8.9224  0.6289616      14.05645 
1 1 1 -21 -22 24 o 65.736  5.1567  550.552    81.591   436.338    158.843  591.487    95.095   52.579  12.613  67.698  5.8465  -15.11893      13.90180 
1 1 1 -21 -22 25 o 57.902  5.1957  428.239    72.220   334.902    123.133  477.187    89.168   47.264  10.951  60.551  6.1547  -13.28754      12.56237 
1 1 1 -21 -22 26 o 25.950  10.017  80.246     89.390   0.0000     0.0000   80.246     89.390   ?       ?       25.950  10.017  0.000000       10.01682 
1 1 1 -21 -22 27 o 53.945  8.5211  403.313    107.831  465.379    223.705  384.527    123.072  49.591  16.179  51.272  10.251  -1.681828      19.15287 
1 1 1 -21 -22 28 o 66.606  8.9863  620.730    141.523  0.0000     0.0000   620.730    141.523  ?       ?       66.606  8.9863  0.000000       8.986251 
1 1 1 -21 -22 29 o 103.752 5.0313  1365.17    126.660  1584.80    258.877  1296.04    145.231  104.481 10.348  100.024 6.0119  4.456779       11.96730 
1 1 1 -21 -22 30 o 50.614  6.2836  337.016    75.508   493.982    141.382  274.377    89.312   57.868  10.454  44.119  8.6522  13.74952       13.56997 
1 1 1 -21 -22 31 o 46.695  8.1856  302.910    89.362   295.891    137.532  308.038    117.559  42.582  12.495  44.959  10.891  -2.377819      16.57559 
1 1 1 -21 -22 32 o 52.779  10.947  422.332    135.589  422.332    135.589  0.0000     0.0000   52.779  10.947  ?       ?       0.000000       10.94664 
1 1 1 -21 -22 33 f 54.168  10.811  443.444    137.115  443.444    137.115  0.0000     0.0000   54.168  10.811  ?       ?       0.000000       10.81102 
1 1 1 -21 -22 34 o 43.893  6.6590  258.149    68.693   283.892    125.333  247.096    82.127   42.052  11.802  41.820  8.3854  0.2317696      14.47731 
1 1 1 -21 -22 35 o 108.015 4.5755  1474.62    119.920  1354.61    197.206  1545.04    151.058  98.883  8.2960  109.219 5.7200  -10.33590      10.07676 
1 1 1 -21 -22 36 o 71.001  4.5274  639.227    77.590   801.429    149.127  579.019    90.857   75.977  8.2204  66.756  5.6626  9.221252       9.981978 
1 1 1 -21 -22 37 o 42.239  6.0793  236.464    60.512   247.858    123.513  232.865    69.412   38.884  11.942  41.243  7.1980  -2.359245      13.94349 
1 1 1 -21 -22 38 o 33.836  8.4596  165.173    69.267   158.091    151.072  167.058    77.943   32.070  12.825  33.557  9.2670  -1.487309      15.82255 
1 1 1 -21 -22 39 o ?       ?       -160.7698  30.393   -115.6230  128.333  -163.4525  31.283   19.517  9.3670  ?       ?       0.000000       9.367034 
1 1 1 -21 -22 40 o 15.169  7.0572  -40.4245   62.958   310.578    147.434  -118.7038  69.625   41.920  13.076  13.093  6.4219  28.82725       14.56774 
1 1 1 -21 -22 41 o 42.460  7.1309  248.496    70.863   -35.4249   218.494  281.871    74.912   26.802  12.681  45.338  7.0378  -18.53566      14.50283 
1 1 1 -21 -22 42 o 57.255  6.1879  437.605    84.599   634.241    235.078  408.349    90.674   54.471  16.423  54.618  7.0033  -0.1473351     17.85390 
1 1 1 -21 -22 43 o 35.417  7.8353  180.319    65.550   258.186    138.284  157.752    74.445   37.697  12.733  32.229  9.1133  5.468719       15.65798 
1 1 1 -21 -22 44 o 48.249  7.2465  325.340    82.215   0.0000     0.0000   325.340    82.215   ?       ?       48.249  7.2465  0.000000       7.246457 
1 1 1 -21 -22 45 o 48.104  11.587  394.222    133.636  0.0000     0.0000   394.222    133.636  ?       ?       48.104  11.587  0.000000       11.58692 
1 1 1 -21 -22 46 o 32.918  11.382  191.950    110.625  0.0000     0.0000   191.950    110.625  ?       ?       32.918  11.382  0.000000       11.38166 
1 1 1 -21 -22 47 o 19.786  8.0479  41.059     60.609   242.546    135.738  -9.1151    67.736   35.047  12.566  17.004  7.6863  18.04295       14.73023 
1 1 1 -21 -22 48 o 17.834  7.6032  20.822     57.941   -42.9756   99.471   53.585     71.283   18.422  8.6669  21.355  8.7115  -2.932997      12.28849 
1 1 1 -21 -22 49 o 16.288  7.1656  5.3066     54.831   -213.2710  100.182  98.782     65.514   13.953  6.9860  25.170  8.7557  -11.21664      11.20114 
1 1 1 -21 -22 50 o 20.515  7.9007  56.011     55.511   83.364     98.561   43.304     67.179   24.087  10.074  20.056  8.3461  4.031281       13.08191 
1 1 1 -21 -22 51 o 21.083  8.2246  60.974     60.757   132.288    107.109  27.142     73.774   27.030  10.803  19.262  8.3967  7.768057       13.68205 
1 1 1 -21 -22 52 o 48.150  7.2516  342.376    82.093   203.504    156.490  395.103    96.426   29.738  12.579  50.684  8.1145  -20.94657      14.96924 
1 1 1 -21 -22 53 o 22.429  8.6872  75.879     67.412   79.562     139.308  74.753     77.032   24.264  10.991  22.531  9.1055  1.733269       14.27255 
1 1 1 -21 -22 54 o 108.581 7.1404  1730.75    187.074  4502.39    304.445  49.387     237.121  175.184 7.1623  25.121  12.218  150.0630       14.16279 
1 1 1 -21 -22 55 o 26.374  9.9025  123.473    85.856   302.252    164.751  56.820     100.595  34.026  13.461  22.127  9.7209  11.89937       16.60427 
1 1 1 -21 -22 56 o 17.396  7.6314  15.235     61.801   176.040    144.121  -20.9971   68.410   28.510  12.066  15.992  7.4112  12.51733       14.16061 
1 1 1 -21 -22 57 o 23.167  8.6303  84.010     64.963   284.292    145.411  34.069     72.612   34.597  12.907  19.465  8.4079  15.13222       15.40433 
1 1 1 -21 -22 58 o 15.469  7.6056  -124.8637  99.552   -409.6018  310.477  -92.2347   105.101  21.517  10.939  16.766  8.1501  4.750456       13.64168 
1 1 1 -21 -22 59 o 38.727  11.879  314.016    122.259  317.342    372.736  313.615    129.419  28.412  14.104  37.695  12.306  -9.282566      18.71789 
1 1 1 -21 -22 60 o 20.418  9.4494  20.305     110.665  171.525    358.556  4.3836     116.345  26.209  13.136  20.104  9.4309  6.105785       16.17102 
1 1 1 -21 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -21 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -21 4  o 14.695  5.2899  24.223     24.079   -27.3936   67.664   31.708     25.766   16.542  7.5574  16.127  5.4958  0.4149971      9.344472 
1 1 1 -21 -21 5  o 26.409  5.3076  92.114     32.832   130.721    66.528   79.684     37.749   30.118  8.6485  24.226  6.3460  5.892025       10.72697 
1 1 1 -21 -21 6  o 101.975 4.0190  1301.70    99.442   1333.33    170.113  1285.28    122.565  99.864  7.0660  100.332 5.0508  -0.4676971     8.685554 
1 1 1 -21 -21 7  o 18.513  7.5613  25.724     53.784   3.7337     117.513  31.551     60.492   23.066  10.299  19.717  8.0322  3.348619       13.06086 
1 1 1 -21 -21 8  o 14.870  6.6537  -13.0737   49.323   61.319     115.666  -29.6075   54.529   25.896  10.877  14.642  6.7246  11.25400       12.78755 
1 1 1 -21 -21 9  f 73.138  3.9145  669.089    69.216   677.656    118.581  664.662    85.245   71.384  6.9337  72.293  4.8884  -0.9092941     8.483711 
1 1 1 -21 -21 10 o 35.407  4.8686  161.137    40.720   125.212    66.409   182.782    51.548   29.691  8.6742  37.294  5.8923  -7.602631      10.48623 
1 1 1 -21 -21 11 o 66.184  4.0458  548.627    64.658   514.605    109.092  567.050    80.278   61.884  7.4128  66.751  4.9927  -4.866493      8.937332 
1 1 1 -21 -21 12 o 57.114  5.3944  418.692    73.872   365.726    99.721   483.107    109.971  51.538  8.2528  59.726  7.7726  -8.187813      11.33673 
1 1 1 -21 -21 13 o 24.469  6.7457  80.785     41.341   4.1909     74.216   115.244    49.780   19.359  8.4309  29.068  7.1153  -9.708986      11.03213 
1 1 1 -21 -21 14 o 20.770  7.2226  53.335     44.579   -9.5288    69.471   97.341     58.124   17.988  7.9822  26.634  8.1942  -8.646040      11.43940 
1 1 1 -21 -21 15 o 57.698  4.4972  419.386    62.463   395.863    101.212  433.857    79.384   54.014  7.9613  58.049  5.7099  -4.035297      9.797207 
1 1 1 -21 -21 16 o 109.293 4.1465  1488.95    109.961  1383.23    172.783  1560.92    142.557  102.679 6.9765  110.973 5.2943  -8.293205      8.757919 
1 1 1 -21 -21 17 o 57.646  4.4676  418.060    62.002   388.073    102.620  435.301    77.809   53.393  8.1818  58.266  5.5715  -4.872932      9.898660 
1 1 1 -21 -21 18 o 58.875  6.0879  448.613    85.712   490.271    144.521  426.010    106.455  58.153  10.634  56.099  8.0516  2.054539       13.33838 
1 1 1 -21 -21 19 o 134.404 6.1444  2319.39    200.380  2316.61    302.785  2321.55    267.283  128.819 9.7595  131.110 8.4467  -2.291183      12.90720 
1 1 1 -21 -21 20 o 111.027 5.9955  1581.90    160.918  1469.22    243.438  1669.35    214.454  102.295 9.9330  111.785 7.9585  -9.490211      12.72801 
1 1 1 -21 -21 21 o 53.925  4.8756  368.264    63.104   420.123    100.066  334.023    81.310   56.081  7.5451  50.342  6.8332  5.739670       10.17946 
1 1 1 -21 -21 22 o 109.373 4.2609  1491.79    113.077  1367.97    175.673  1579.37    147.755  102.074 7.1379  111.572 5.4578  -9.497940      8.985386 
1 1 1 -21 -21 23 o 130.497 4.4259  2128.51    140.142  2054.75    215.250  2182.77    184.636  125.182 7.1159  130.758 5.8195  -5.575745      9.192553 
1 1 1 -21 -21 24 o 67.378  5.0101  575.034    81.322   513.159    143.144  604.521    98.818   59.892  10.217  68.473  6.0085  -8.581303      11.85255 
1 1 1 -21 -21 25 o 65.234  5.4070  543.142    84.812   573.948    187.257  535.192    95.129   60.425  13.146  64.276  6.1756  -3.851406      14.52429 
1 1 1 -21 -21 26 o 115.037 8.2952  1787.68    229.987  0.0000     0.0000   1787.68    229.987  ?       ?       115.037 8.2952  0.000000       8.295156 
1 1 1 -21 -21 27 o 48.254  8.9917  326.015    101.406  74.161     202.024  410.842    117.246  31.150  13.727  54.083  9.2679  -22.93328      16.56314 
1 1 1 -21 -21 28 o 22.679  9.2104  45.164     79.233   -245.4561  181.284  113.790    88.093   21.306  10.432  28.782  10.144  -7.476320      14.55060 
1 1 1 -21 -21 29 o 23.681  8.2878  71.873     58.743   -49.1605   105.551  126.181    70.704   20.044  9.2596  29.862  9.0075  -9.817438      12.91806 
1 1 1 -21 -21 30 o 50.293  10.426  372.034    123.054  372.034    123.054  0.0000     0.0000   50.293  10.426  ?       ?       0.000000       10.42605 
1 1 1 -21 -21 31 o 63.616  8.8295  564.207    132.617  564.207    132.617  0.0000     0.0000   63.616  8.8295  ?       ?       0.000000       8.829494 
1 1 1 -21 -21 32 o 44.312  11.507  304.899    124.828  304.899    124.828  0.0000     0.0000   44.312  11.507  ?       ?       0.000000       11.50744 
1 1 1 -21 -21 33 o 82.529  4.8924  865.317    97.533   920.534    156.381  830.165    124.774  82.219  7.9374  79.456  6.5297  2.763054       10.27814 
1 1 1 -21 -21 34 o 14.719  6.8718  -45.2299   60.536   134.969    99.930   -149.6920  76.085   30.419  10.795  13.192  6.5168  17.22718       12.60946 
1 1 1 -21 -21 35 o 36.006  6.8363  175.622    57.541   150.530    120.275  183.070    65.526   31.717  11.757  36.316  7.6765  -4.598274      14.04160 
1 1 1 -21 -21 36 o 113.437 4.5146  1623.27    124.263  1738.06    205.858  1557.46    155.862  113.421 7.5228  109.532 5.8861  3.888550       9.551945 
1 1 1 -21 -21 37 o 28.708  7.8328  116.042    56.078   98.142     117.819  121.285    63.765   28.025  11.284  29.117  8.4978  -1.092722      14.12568 
1 1 1 -21 -21 38 o 21.231  8.4422  45.240     65.103   197.355    145.765  7.3352     72.764   34.633  12.923  19.165  8.3471  15.46786       15.38404 
1 1 1 -21 -21 39 o 33.108  9.0104  160.870    74.319   330.546    143.346  98.496     86.912   44.243  12.692  26.858  9.9870  17.38477       16.15026 
1 1 1 -21 -21 40 o 41.831  5.9849  231.928    59.015   277.110    75.947   163.065    93.760   44.992  7.1996  32.511  10.463  12.48102       12.70103 
1 1 1 -21 -21 41 o 17.525  7.2757  19.838     50.881   -143.9991  194.327  31.897     52.720   23.375  11.294  18.817  7.5581  4.557714       13.58996 
1 1 1 -21 -21 42 o 31.899  6.4187  138.771    47.960   79.276     63.037   220.549    73.904   24.137  8.5728  39.351  8.0124  -15.21437      11.73419 
1 1 1 -21 -21 43 o 49.847  7.7678  349.455    90.890   0.0000     0.0000   349.455    90.890   ?       ?       49.847  7.7678  0.000000       7.767803 
1 1 1 -21 -21 44 o 38.515  8.7608  220.455    80.025   0.0000     0.0000   220.455    80.025   ?       ?       38.515  8.7608  0.000000       8.760767 
1 1 1 -21 -21 45 o 21.490  9.4926  19.761     97.162   0.0000     0.0000   19.761     97.162   ?       ?       21.490  9.4926  0.000000       9.492648 
1 1 1 -21 -21 46 o 29.440  10.780  142.395    100.603  236.942    207.938  113.500    114.952  33.466  14.339  27.452  11.113  6.014042       18.14120 
1 1 1 -21 -21 47 o 12.760  5.7032  -8.1060    36.135   -10.8459   43.490   -1.9970    64.940   13.777  6.1996  17.169  7.6620  -3.392749      9.855982 
1 1 1 -21 -21 48 o 29.492  6.6555  123.790    46.495   120.417    58.247   129.715    77.191   28.171  8.0933  28.346  9.5132  -0.1754150     12.49010 
1 1 1 -21 -21 49 o 12.021  5.4975  -16.3604   35.923   -34.1841   44.166   18.482     61.750   12.336  5.7944  17.993  7.7630  -5.657843      9.687061 
1 1 1 -21 -21 50 o 13.851  5.8914  8.2504     34.642   55.314     44.635   -63.0400   54.935   20.072  7.2048  12.603  6.0687  7.468412       9.420049 
1 1 1 -21 -21 51 o 9.1475  4.4814  -58.2105   33.603   -58.2106   38.108   -58.2100   71.244   10.016  4.8777  14.844  7.0848  -4.827567      8.601467 
1 1 1 -21 -21 52 o 21.686  7.2812  69.409     45.219   69.320     55.793   69.579     77.195   21.748  8.0184  22.330  9.0825  -0.5824127     12.11560 
1 1 1 -21 -21 53 o 16.053  6.6148  22.746     41.617   26.905     50.193   13.600     74.442   17.274  7.2035  18.419  8.2127  -1.144901      10.92426 
1 1 1 -21 -21 54 f 15.564  6.6741  13.287     45.114   -15.5769   49.914   142.059    105.429  14.112  6.4634  27.449  10.797  -13.33735      12.58395 
1 1 1 -21 -21 55 o 19.764  7.0354  55.159     42.477   78.672     46.359   -67.8785   106.045  22.800  7.3595  17.622  8.4722  5.178669       11.22235 
1 1 1 -21 -21 56 o 19.367  6.8358  52.439     40.019   60.936     47.107   30.400     75.861   20.592  7.4005  19.515  8.5105  1.077755       11.27810 
1 1 1 -21 -21 57 o 27.652  7.0511  114.594    47.456   108.037    59.612   125.940    78.413   25.937  8.3427  26.997  9.5643  -1.060371      12.69161 
1 1 1 -21 -21 58 o 17.389  8.3098  -55.8314   98.658   201.592    346.618  -78.5250   102.915  28.037  13.861  17.036  8.2283  11.00107       16.11942 
1 1 1 -21 -21 59 o 32.683  11.865  232.997    121.500  -122.2815  364.928  277.289    128.851  24.573  12.427  35.257  12.278  -10.68402      17.46933 
1 1 1 -21 -21 60 o 31.207  11.419  211.124    112.850  318.581    336.503  197.508    119.787  28.241  13.904  29.769  11.566  -1.528008      18.08586 
1 1 1 -21 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -20 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -20 4  o 38.042  5.8416  190.522    52.197   217.537    100.569  180.562    61.066   37.710  10.568  36.321  7.1835  1.388275       12.77797 
1 1 1 -21 -20 5  o 30.783  4.7169  122.182    34.109   91.612     69.307   131.953    39.183   25.944  9.0066  31.799  5.2623  -5.855461      10.43124 
1 1 1 -21 -20 6  o 23.769  5.8801  75.620     33.726   110.052    72.177   66.002     38.147   27.932  9.1935  22.193  6.5987  5.739090       11.31653 
1 1 1 -21 -20 7  o 36.220  7.8184  181.941    66.698   240.580    133.973  162.618    76.907   38.537  12.518  33.517  9.1843  5.019920       15.52565 
1 1 1 -21 -20 8  o 16.560  7.1594  2.6512     52.741   55.765     116.614  -11.0072   59.135   25.840  10.891  16.491  7.3388  9.348967       13.13255 
1 1 1 -21 -20 9  o 45.229  4.2318  257.822    45.903   306.459    76.862   230.858    57.229   48.040  6.7826  42.122  5.7495  5.917351       8.891612 
1 1 1 -21 -20 10 o 31.942  5.0089  131.637    37.545   161.297    62.503   114.894    46.961   34.230  7.7105  29.156  6.7684  5.074533       10.25979 
1 1 1 -21 -20 11 o 62.452  3.9640  487.081    59.757   347.563    96.843   572.866    75.938   50.394  8.2021  67.384  4.6734  -16.98975      9.440086 
1 1 1 -21 -20 12 o 93.814  3.9479  1094.17    89.866   1030.70    146.450  1132.50    113.813  88.715  6.8567  94.661  4.9725  -5.946671      8.469961 
1 1 1 -21 -20 13 o 44.713  4.9643  254.492    52.949   257.920    86.830   252.463    66.807   43.142  8.5966  43.839  6.4754  -0.6971207     10.76259 
1 1 1 -21 -20 14 o 65.178  4.3166  532.050    67.880   478.606    108.746  566.167    86.886   59.847  7.6648  66.655  5.4191  -6.807766      9.387033 
1 1 1 -21 -20 15 o 76.992  4.0261  738.338    74.952   788.484    121.750  707.734    95.112   77.992  6.4926  74.681  5.2829  3.311157       8.370353 
1 1 1 -21 -20 16 o 15.848  6.4653  15.311     39.264   41.890     67.303   1.5975     48.343   21.566  8.5810  15.966  6.8785  5.600775       10.99759 
1 1 1 -21 -20 17 o 31.915  7.0065  136.703    52.770   196.877    111.339  119.270    59.929   36.486  11.360  29.475  8.1201  7.011257       13.96385 
1 1 1 -21 -20 18 o 71.545  6.2002  659.058    106.569  628.984    163.117  681.455    140.765  66.577  10.441  71.189  8.3054  -4.611908      13.34132 
1 1 1 -21 -20 19 o 106.834 5.8890  1456.39    152.067  1451.09    229.957  1460.51    202.719  102.967 9.3047  104.811 8.0323  -1.844505      12.29211 
1 1 1 -21 -20 20 f 60.497  6.6707  476.390    96.292   548.944    146.835  421.645    127.547  62.528  10.016  54.695  9.9784  7.832581       14.13840 
1 1 1 -21 -20 21 o 67.001  4.5516  562.864    73.557   599.346    115.183  537.739    95.587   67.612  7.1285  64.616  6.1717  2.995644       9.428959 
1 1 1 -21 -20 22 o 102.477 4.3195  1307.72    107.405  1239.43    170.025  1353.06    138.550  97.305  7.2534  103.249 5.5508  -5.943352      9.133635 
1 1 1 -21 -20 23 o 73.618  4.9591  683.278    88.066   486.948    136.876  821.964    115.040  58.857  9.9383  80.119  5.9603  -21.26241      11.58860 
1 1 1 -21 -20 24 o 35.368  8.5366  173.447    72.423   161.652    121.440  179.958    90.223   33.601  11.903  35.400  10.041  -1.799110      15.57206 
1 1 1 -21 -20 25 o 16.539  7.5322  -30.0935   66.548   -62.3977   144.925  -21.4621   74.912   23.319  10.800  18.100  8.1417  5.218748       13.52486 
1 1 1 -21 -20 26 o 72.029  8.0518  695.841    138.315  547.080    222.159  790.005    176.751  56.335  15.678  74.997  9.9592  -18.66204      18.57361 
1 1 1 -21 -20 27 o 65.758  8.6988  590.987    135.388  392.584    217.005  717.434    173.240  46.927  15.950  70.958  10.368  -24.03046      19.02340 
1 1 1 -21 -20 28 o 51.459  9.8868  377.280    118.962  497.714    197.441  308.642    149.055  54.555  14.619  43.996  13.035  10.55909       19.58685 
1 1 1 -21 -20 29 o 96.964  7.4189  1245.32    173.223  1245.32    173.223  0.0000     0.0000   96.964  7.4189  ?       ?       0.000000       7.418879 
1 1 1 -21 -20 30 o 63.197  8.9822  554.273    133.858  554.273    133.858  0.0000     0.0000   63.197  8.9822  ?       ?       0.000000       8.982160 
1 1 1 -21 -20 31 o 45.939  11.289  319.912    124.943  319.912    124.943  0.0000     0.0000   45.939  11.289  ?       ?       0.000000       11.28942 
1 1 1 -21 -20 32 o 46.917  6.7528  292.223    74.659   297.514    121.561  289.019    94.605   44.137  11.302  45.276  8.9288  -1.138573      14.40327 
1 1 1 -21 -20 33 o 26.681  8.4470  98.370     61.298   120.817    112.520  88.897     73.098   29.781  11.301  25.933  9.2294  3.848185       14.59119 
1 1 1 -21 -20 34 o 32.008  7.4967  141.473    57.200   104.029    110.371  155.222    66.882   28.458  11.090  33.157  8.3253  -4.698908      13.86702 
1 1 1 -21 -20 35 o 24.191  6.8624  79.505     42.142   61.885     60.325   96.300     58.897   22.586  8.3358  26.351  8.2719  -3.765490      11.74351 
1 1 1 -21 -20 36 o 31.525  6.1598  132.770    45.428   165.769    66.947   104.608    61.845   34.285  8.1645  27.293  8.4616  6.992393       11.75834 
1 1 1 -21 -20 37 o 53.919  4.5034  368.651    58.378   404.032    83.876   335.408    81.302   55.321  6.3646  50.021  6.8809  5.300835       9.373037 
1 1 1 -21 -20 38 o 31.804  7.1505  139.288    53.840   159.563    71.189   112.194    82.296   33.266  8.7152  28.125  9.8115  5.140871       13.12324 
1 1 1 -21 -20 39 o 44.413  6.0040  260.051    63.043   303.946    82.701   199.159    97.407   47.094  7.4880  36.007  10.501  11.08739       12.89758 
1 1 1 -21 -20 40 o 27.795  7.6062  108.482    52.789   141.111    69.503   63.996     81.155   31.141  8.8056  23.840  9.4426  7.301338       12.91126 
1 1 1 -21 -20 41 o 45.167  6.8309  276.129    72.523   201.910    221.986  284.997    76.734   34.634  14.827  45.674  7.1593  -11.03962      16.46465 
1 1 1 -21 -20 42 o 75.890  6.2992  763.661    114.945  0.0000     0.0000   763.661    114.945  ?       ?       75.890  6.2992  0.000000       6.299160 
1 1 1 -21 -20 43 o 24.239  9.2502  75.544     75.648   0.0000     0.0000   75.544     75.648   ?       ?       24.239  9.2502  0.000000       9.250154 
1 1 1 -21 -20 44 o 64.102  6.6461  555.798    101.870  0.0000     0.0000   555.798    101.870  ?       ?       64.102  6.6461  0.000000       6.646110 
1 1 1 -21 -20 45 f 45.781  10.502  333.543    114.179  430.085    239.795  305.238    129.842  41.848  16.335  41.787  12.106  0.6047440E-01  20.33252 
1 1 1 -21 -20 46 o 21.664  8.9598  47.227     76.736   -80.2946   145.768  96.114     90.254   21.194  10.121  25.911  10.047  -4.717707      14.26104 
1 1 1 -21 -20 47 o 23.113  6.8199  75.657     40.871   29.276     53.469   140.841    63.387   18.294  7.5133  30.561  8.3231  -12.26716      11.21263 
1 1 1 -21 -20 48 f 13.837  5.9525  4.5947     36.093   -15.4246   45.923   36.942     58.375   13.822  6.2801  19.293  7.8784  -5.471019      10.07515 
1 1 1 -21 -20 49 o 15.686  6.3468  21.420     37.473   33.920     48.044   2.0037     59.877   18.061  7.2290  16.735  7.4191  1.326084       10.35866 
1 1 1 -21 -20 50 o 39.930  5.0702  212.745    48.016   239.123    64.144   179.126    72.416   41.101  6.6598  33.632  8.7797  7.468842       11.01980 
1 1 1 -21 -20 51 o 36.337  5.6133  180.937    47.896   217.313    58.635   107.998    83.029   39.265  6.3730  25.719  9.7205  13.54584       11.62341 
1 1 1 -21 -20 52 o 17.524  6.9591  34.074     44.186   14.041     53.934   74.967     77.056   16.690  7.2278  22.829  9.1488  -6.139261      11.65934 
1 1 1 -21 -20 53 o 14.111  6.0467  8.2292     36.989   18.856     43.392   -20.0210   70.747   15.908  6.6706  16.373  7.5697  -0.4654150     10.08948 
1 1 1 -21 -20 54 o 34.772  7.0065  178.063    57.072   175.229    66.048   186.416    113.393  33.349  8.2159  30.468  11.392  2.881168       14.04556 
1 1 1 -21 -20 55 o 15.731  6.6793  15.821     44.386   -17.8461   49.825   145.258    97.695   13.992  6.4268  28.039  10.556  -14.04697      12.35882 
1 1 1 -21 -20 56 o 33.003  6.4698  156.524    49.957   150.076    61.301   169.274    86.201   30.927  8.0799  30.790  10.043  0.1376038      12.88973 
1 1 1 -21 -20 57 o 29.874  6.6199  129.851    46.724   101.867    57.346   185.115    80.588   25.393  8.1842  32.882  9.5408  -7.489826      12.57012 
1 1 1 -21 -20 58 o 23.637  10.159  79.497     104.949  253.219    319.151  58.434     111.130  29.108  14.162  22.748  10.095  6.359842       17.39152 
1 1 1 -21 -20 59 o 21.185  9.5508  35.335     103.773  -85.0837   307.733  50.785     110.230  24.327  12.189  22.158  9.9285  2.168413       15.72108 
1 1 1 -21 -20 60 o 26.875  10.978  145.712    113.376  141.574    277.207  146.543    124.243  26.278  12.873  26.711  11.249  -0.4333630     17.09541 
1 1 1 -21 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -19 3  o 6.8594  3.2229  -14.0677   13.679   0.0000     0.0000   -14.0677   13.679   ?       ?       6.8594  3.2229  0.000000       3.222918 
1 1 1 -21 -19 4  o 21.822  5.5350  63.260     29.351   133.128    73.196   49.873     32.040   30.412  9.1630  19.563  6.0946  10.84882       11.00470 
1 1 1 -21 -19 5  o 29.383  5.0753  112.223    34.876   38.000     77.570   131.028    39.045   21.892  9.0270  31.732  5.2550  -9.839918      10.44518 
1 1 1 -21 -19 6  o 46.147  4.2337  268.394    46.877   324.474    89.630   247.278    54.999   48.760  7.8416  43.832  5.2774  4.927856       9.452044 
1 1 1 -21 -19 7  o 79.393  5.7319  810.477    109.677  1005.67    201.205  727.958    130.821  83.839  10.094  73.863  7.3989  9.975983       12.51500 
1 1 1 -21 -19 8  f 38.336  7.2430  198.401    64.904   171.594    110.049  212.699    80.370   33.933  11.359  38.903  8.7288  -4.970055      14.32558 
1 1 1 -21 -19 9  o 28.135  5.3327  103.250    35.072   143.527    58.293   80.398     43.908   32.390  7.5557  24.451  7.0274  7.939341       10.31856 
1 1 1 -21 -19 10 o 77.211  3.9238  742.135    73.269   475.519    118.633  906.549    93.160   58.986  8.5370  85.000  4.5333  -26.01403      9.666017 
1 1 1 -21 -19 11 o 38.627  4.7399  189.563    43.492   134.517    71.051   222.549    55.001   30.999  8.9481  41.549  5.5981  -10.54974      10.55500 
1 1 1 -21 -19 12 f 56.248  4.3196  396.351    58.504   408.954    94.845   388.611    74.329   55.651  7.1921  55.091  5.6400  0.5608101      9.139819 
1 1 1 -21 -19 13 o 114.260 4.1172  1621.91    114.146  1525.01    179.365  1687.86    147.979  108.393 6.8551  115.696 5.2713  -7.303024      8.647477 
1 1 1 -21 -19 14 o 89.129  3.9342  984.430    85.082   1001.98    137.958  973.660    108.085  88.142  6.4964  87.891  5.0900  0.2508011      8.252949 
1 1 1 -21 -19 15 o 36.016  5.5432  167.206    46.889   143.793    80.140   179.393    57.818   32.049  9.5724  36.865  6.7110  -4.815491      11.69052 
1 1 1 -21 -19 16 o 92.059  4.0941  1051.17    91.450   934.688    143.587  1130.67    118.619  84.777  7.0441  94.730  5.1802  -9.953552      8.743842 
1 1 1 -21 -19 17 o 88.670  4.1571  975.593    89.441   833.393    141.041  1071.24    115.675  79.811  7.3663  92.214  5.1910  -12.40284      9.011572 
1 1 1 -21 -19 18 o 28.249  9.1050  107.385    70.976   56.847     107.546  146.383    94.472   26.011  10.666  32.358  10.512  -6.347088      14.97512 
1 1 1 -21 -19 19 o 35.301  9.0132  173.039    77.470   154.345    117.382  187.466    103.117  33.305  11.712  36.092  10.876  -2.786377      15.98327 
1 1 1 -21 -19 20 o 38.184  9.5462  204.622    88.207   61.431     150.491  279.559    108.869  29.005  12.306  44.319  10.317  -15.31346      16.05870 
1 1 1 -21 -19 21 o 32.234  8.3832  142.447    66.185   267.082    151.099  112.857    73.623   41.677  13.269  28.879  9.2696  12.79820       16.18637 
1 1 1 -21 -19 22 o 35.344  7.2694  166.923    60.260   95.990     98.565   209.260    76.149   28.193  10.605  39.216  8.2635  -11.02298      13.44465 
1 1 1 -21 -19 23 o 93.285  4.2915  1081.37    97.136   1060.31    157.111  1094.40    123.588  90.193  7.2401  92.998  5.5015  -2.804405      9.093106 
1 1 1 -21 -19 24 o 91.878  4.4930  1051.73    100.165  983.788    156.650  1098.72    130.278  86.579  7.5319  92.940  5.8061  -6.361435      9.510010 
1 1 1 -21 -19 25 o 30.251  8.4633  125.741    64.561   47.920     105.236  172.706    81.754   25.219  10.466  35.041  9.4145  -9.821709      14.07755 
1 1 1 -21 -19 26 o 93.685  7.1106  1144.37    160.431  1054.73    267.433  1194.77    200.518  82.622  13.829  93.933  8.9041  -11.31079      16.44737 
1 1 1 -21 -19 27 o 113.554 6.8561  1673.19    188.018  1625.28    304.658  1702.66    238.951  104.959 12.190  112.175 8.8509  -7.216431      15.06413 
1 1 1 -21 -19 28 o 36.381  14.327  191.918    185.829  191.918    185.829  0.0000     0.0000   36.381  14.327  ?       ?       0.000000       14.32706 
1 1 1 -21 -19 29 o 29.730  11.190  114.557    109.753  114.557    109.753  0.0000     0.0000   29.730  11.190  ?       ?       0.000000       11.18960 
1 1 1 -21 -19 30 o 91.045  7.5754  1099.63    165.830  1099.63    165.830  0.0000     0.0000   91.045  7.5754  ?       ?       0.000000       7.575356 
1 1 1 -21 -19 31 o 14.096  6.2747  -11.3745   43.259   -31.2509   52.677   29.793     75.811   14.363  6.6010  21.322  8.8690  -6.959609      11.05589 
1 1 1 -21 -19 32 o 42.045  5.5787  228.589    55.507   202.053    75.522   259.767    81.859   38.082  8.3987  43.531  8.0465  -5.448189      11.63118 
1 1 1 -21 -19 33 o 88.134  3.9892  967.562    85.309   1066.38    124.633  880.454    117.017  91.184  5.6611  82.657  5.8728  8.527542       8.157057 
1 1 1 -21 -19 34 o 41.095  5.1368  217.035    50.102   215.434    70.993   218.624    70.719   39.675  7.6520  40.027  7.5585  -0.3521156     10.75565 
1 1 1 -21 -19 35 o 36.588  5.8319  175.621    50.036   183.537    73.583   168.812    68.241   36.015  8.5485  34.675  8.2335  1.339546       11.86878 
1 1 1 -21 -19 36 o 27.237  6.9801  101.490    46.342   129.003    68.008   77.640     63.319   30.077  8.7754  24.381  8.5992  5.695591       12.28635 
1 1 1 -21 -19 37 o 15.593  6.4702  12.717     40.207   10.867     57.206   14.524     56.522   17.728  7.5562  17.929  7.5706  -0.2014256     10.69625 
1 1 1 -21 -19 38 o 19.775  7.4487  43.431     48.654   28.824     67.167   59.557     70.572   20.178  8.3669  22.974  8.8913  -2.796228      12.20901 
1 1 1 -21 -19 39 o 40.660  6.3633  220.120    60.721   136.445    81.107   326.824    91.590   30.496  9.7231  48.527  8.0615  -18.03145      12.63033 
1 1 1 -21 -19 40 o 29.208  7.4979  119.132    53.408   162.914    71.332   63.275     80.570   33.594  8.6867  23.819  9.4167  9.774815       12.81141 
1 1 1 -21 -19 41 o 34.217  8.9957  171.438    75.675   0.0000     0.0000   171.438    75.675   ?       ?       34.217  8.9957  0.000000       8.995729 
1 1 1 -21 -19 42 o 66.694  6.5686  593.307    104.918  0.0000     0.0000   593.307    104.918  ?       ?       66.694  6.5686  0.000000       6.568553 
1 1 1 -21 -19 43 o 48.471  7.1162  321.455    81.203   0.0000     0.0000   321.455    81.203   ?       ?       48.471  7.1162  0.000000       7.116213 
1 1 1 -21 -19 44 o 29.143  6.9390  118.517    48.363   150.562    68.608   86.866     68.185   31.934  8.6433  24.997  8.9120  6.936829       12.41493 
1 1 1 -21 -19 45 o 47.497  8.0792  322.647    89.776   373.063    174.855  304.600    104.618  43.348  14.311  44.385  9.9591  -1.036388      17.43564 
1 1 1 -21 -19 46 o 29.471  9.3255  133.816    74.718   209.291    143.639  105.818    87.486   33.734  12.777  26.742  10.005  6.992128       16.22785 
1 1 1 -21 -19 47 o 34.078  5.5971  156.125    44.675   128.953    59.870   190.262    67.106   29.433  8.1193  36.097  7.8827  -6.664083      11.31637 
1 1 1 -21 -19 48 o 25.826  6.6426  94.713     41.863   82.799     54.722   111.524    65.002   23.863  8.0099  27.005  8.7144  -3.141853      11.83634 
1 1 1 -21 -19 49 o 22.312  6.8496  70.986     40.640   78.591     52.635   59.759     63.950   23.239  7.8554  21.590  8.4336  1.649464       11.52532 
1 1 1 -21 -19 50 o 36.502  5.6664  181.630    48.560   96.825     67.764   271.148    69.622   25.061  8.8898  43.775  6.7736  -18.71389      11.17632 
1 1 1 -21 -19 51 o 34.982  6.1222  170.939    50.073   218.036    63.813   95.474     80.777   38.832  7.0314  24.776  9.5337  14.05638       11.84616 
1 1 1 -21 -19 52 o 34.376  6.6631  169.905    53.570   126.247    68.191   240.279    86.576   27.806  8.9206  38.172  9.4079  -10.36556      12.96479 
1 1 1 -21 -19 53 o 20.511  7.3775  59.494     46.824   1.6146     57.577   172.529    80.462   16.212  7.2262  31.709  9.6190  -15.49653      12.03092 
1 1 1 -21 -19 54 o 12.407  5.7248  -20.1512   40.171   -8.4739    44.414   -72.6462   94.170   13.856  6.2473  16.607  7.9842  -2.751465      10.13789 
1 1 1 -21 -19 55 o 27.496  7.6738  116.396    53.146   86.330     60.481   218.279    111.334  23.606  8.3959  33.227  11.422  -9.620165      14.17585 
1 1 1 -21 -19 56 o 12.832  5.7543  -7.1488    37.108   -5.6771    43.749   -10.9228   70.057   13.969  6.2574  16.800  7.6809  -2.830148      9.907104 
1 1 1 -21 -19 57 o 14.252  6.2697  1.4191     41.970   -41.6176   50.199   101.368    76.500   12.795  6.0607  24.997  9.3549  -12.20183      11.14656 
1 1 1 -21 -19 58 o 14.968  7.4356  -172.0782  104.341  -281.9494  242.765  -147.1829  115.559  21.033  10.577  16.434  8.1019  4.599102       13.32314 
1 1 1 -21 -19 59 o 25.387  10.854  110.702    118.686  179.010    270.265  94.381     132.106  27.773  13.395  24.757  10.996  3.016273       17.32980 
1 1 1 -21 -19 60 o 19.119  8.9296  -8.2352    102.391  -323.0814  241.588  60.703     113.047  20.016  10.121  22.474  10.063  -2.457560      14.27259 
1 1 1 -21 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -18 3  o 39.738  6.5853  210.384    61.272   0.0000     0.0000   210.384    61.272   ?       ?       39.738  6.5853  0.000000       6.585289 
1 1 1 -21 -18 4  o 66.625  4.0717  555.746    65.506   440.491    141.611  587.123    73.887   54.192  11.142  68.264  4.4858  -14.07166      12.01086 
1 1 1 -21 -18 5  o 24.167  5.6931  77.426     32.834   94.950     69.849   72.456     37.201   26.534  9.0489  23.267  6.3926  3.266331       11.07911 
1 1 1 -21 -18 6  o 28.076  5.4033  103.068    35.474   78.611     71.840   110.955    40.794   25.048  9.1193  28.943  6.0057  -3.895124      10.91922 
1 1 1 -21 -18 7  o 18.805  7.2259  34.977     46.361   73.162     88.420   20.499     54.445   25.545  9.9339  18.326  7.5604  7.218517       12.48367 
1 1 1 -21 -18 8  o 12.122  5.6437  -32.9666   40.388   -119.9515  69.123   12.124     49.767   13.201  6.4588  17.029  7.1424  -3.827549      9.629649 
1 1 1 -21 -18 9  o 32.583  4.9409  136.029    37.838   102.602    62.040   155.827    47.746   27.453  8.4689  34.559  5.9060  -7.106373      10.32488 
1 1 1 -21 -18 10 o 100.801 3.9277  1259.51    96.065   1098.33    152.845  1364.75    123.508  91.905  6.9045  104.327 4.8790  -12.42242      8.454438 
1 1 1 -21 -18 11 f 129.210 4.2239  2074.82    132.427  1806.58    205.146  2266.44    173.393  117.740 7.2157  134.105 5.3287  -16.36519      8.970041 
1 1 1 -21 -18 12 o 65.722  4.0655  537.421    64.514   539.247    109.295  536.444    79.922   64.224  7.1342  65.206  5.0918  -0.9827118     8.764892 
1 1 1 -21 -18 13 o 54.720  4.7003  376.128    61.802   311.711    139.212  391.940    68.971   45.550  12.305  55.673  5.1645  -10.12298      13.34495 
1 1 1 -21 -18 14 o 68.278  4.0826  579.406    67.326   579.920    109.353  579.092    85.438   66.908  6.8317  67.743  5.2386  -0.8346481     8.608971 
1 1 1 -21 -18 15 f 106.025 4.0926  1392.11    105.286  1255.86    164.947  1485.80    136.773  98.645  6.9355  108.872 5.1775  -10.22722      8.654930 
1 1 1 -21 -18 16 o 65.148  4.7423  531.559    74.450   569.166    145.987  518.340    86.550   64.487  9.6246  63.919  5.6383  0.5678558      11.15454 
1 1 1 -21 -18 17 o 52.802  4.7442  349.960    60.134   276.416    96.757   396.244    76.759   44.864  9.1973  55.789  5.7529  -10.92584      10.84833 
1 1 1 -21 -18 18 o 31.281  9.6579  134.176    80.663   -1.4321    144.473  195.594    97.229   25.994  11.524  37.174  10.381  -11.18023      15.51032 
1 1 1 -21 -18 19 o 43.766  9.0682  262.306    93.135   341.716    152.798  215.363    117.481  47.649  12.900  38.555  11.607  9.094120       17.35273 
1 1 1 -21 -18 20 o 34.137  10.015  162.740    88.362   224.628    149.761  129.689    109.442  38.996  13.250  31.434  11.282  7.562494       17.40245 
1 1 1 -21 -18 21 o 16.796  7.0762  8.7557     49.200   -7.2493    81.039   18.099     61.917   19.817  8.7151  19.241  8.0103  0.5765209      11.83715 
1 1 1 -21 -18 22 o 40.426  5.9137  210.343    56.293   125.154    90.171   264.749    72.060   30.516  10.282  45.059  6.8028  -14.54269      12.32862 
1 1 1 -21 -18 23 o 67.844  4.6220  575.378    75.634   380.621    119.989  703.774    97.426   52.438  9.7905  74.667  5.4143  -22.22892      11.18790 
1 1 1 -21 -18 24 o 112.698 4.5130  1579.77    123.409  1347.33    191.302  1745.44    161.509  101.358 7.8395  117.634 5.6585  -16.27607      9.668275 
1 1 1 -21 -18 25 o 68.710  5.0764  594.281    84.034   507.091    132.181  653.427    108.868  60.998  9.2183  71.352  6.3547  -10.35419      11.19640 
1 1 1 -21 -18 26 o 57.713  9.3083  456.612    125.913  432.927    202.502  471.540    160.771  51.321  15.191  56.536  12.086  -5.215233      19.41229 
1 1 1 -21 -18 27 o 60.354  14.868  587.429    216.301  587.429    216.301  0.0000     0.0000   60.354  14.868  ?       ?       0.000000       14.86751 
1 1 1 -21 -18 28 o 129.912 11.798  2444.96    367.831  2444.96    367.831  0.0000     0.0000   129.912 11.798  ?       ?       0.000000       11.79770 
1 1 1 -21 -18 29 o 108.598 5.9770  1506.53    156.889  1506.53    156.889  0.0000     0.0000   108.598 5.9770  ?       ?       0.000000       5.977013 
1 1 1 -21 -18 30 o 29.429  7.2189  117.119    51.158   183.825    65.644   13.943     81.640   36.857  7.5929  20.945  8.9797  15.91147       11.75956 
1 1 1 -21 -18 31 f 21.549  7.3804  57.983     46.468   135.222    62.537   -37.2345   69.435   31.282  8.1553  16.537  7.5925  14.74442       11.14249 
1 1 1 -21 -18 32 o 13.650  5.9971  -6.0370    38.293   64.015     57.507   -61.8442   51.328   22.860  8.1808  12.575  6.0051  10.28520       10.14828 
1 1 1 -21 -18 33 o 20.146  6.9253  50.149     40.927   65.004     58.579   35.983     57.203   22.989  8.2536  19.987  7.9241  3.001686       11.44174 
1 1 1 -21 -18 34 o 18.803  6.8928  39.778     41.144   -35.0431   61.365   100.878    55.454   15.448  7.1092  27.071  7.9316  -11.62288      10.65131 
1 1 1 -21 -18 35 o 81.021  4.0426  818.677    79.474   889.750    115.208  754.151    109.774  83.157  5.7451  76.356  5.9727  6.800934       8.287251 
1 1 1 -21 -18 36 o 59.589  4.4420  447.920    63.764   509.351    92.492   392.279    88.026   62.486  6.1815  54.362  6.8238  8.123436       9.207309 
1 1 1 -21 -18 37 o 29.189  6.6848  115.497    46.326   172.394    65.797   59.562     65.238   35.200  7.8978  22.704  8.6078  12.49663       11.68204 
1 1 1 -21 -18 38 f 17.937  7.1438  27.615     46.687   100.484    63.767   -56.5718   68.541   26.862  8.6273  15.342  7.2103  11.52038       11.24364 
1 1 1 -21 -18 39 o 36.845  7.0153  184.357    60.427   172.114    80.559   200.107    91.372   34.279  9.4027  36.613  10.002  -2.333691      13.72768 
1 1 1 -21 -18 40 o 32.805  10.186  161.500    89.575   0.0000     0.0000   161.500    89.575   ?       ?       32.805  10.186  0.000000       10.18552 
1 1 1 -21 -18 41 o 42.549  6.9623  245.178    69.393   0.0000     0.0000   245.178    69.393   ?       ?       42.549  6.9623  0.000000       6.962282 
1 1 1 -21 -18 42 o 48.223  7.0913  315.837    80.497   0.0000     0.0000   315.837    80.497   ?       ?       48.223  7.0913  0.000000       7.091310 
1 1 1 -21 -18 43 o 23.564  7.5411  76.231     48.754   52.540     71.480   96.838     66.667   22.204  8.8406  26.175  8.8407  -3.970478      12.50261 
1 1 1 -21 -18 44 o 28.636  8.3071  118.910    61.099   -177.6173  148.522  179.316    67.035   19.528  9.5360  35.411  7.9915  -15.88305      12.44182 
1 1 1 -21 -18 45 o 21.822  8.5397  55.000     65.659   144.854    143.008  30.999     73.910   30.477  12.375  20.559  8.6679  9.917698       15.10881 
1 1 1 -21 -18 46 o 41.694  8.6613  256.801    84.760   505.879    168.511  172.440    98.069   53.099  13.148  32.478  10.718  20.62066       16.96319 
1 1 1 -21 -18 47 f 43.613  4.8976  248.257    50.932   253.844    67.203   240.717    78.071   42.886  6.6753  40.520  8.2217  2.366379       10.59034 
1 1 1 -21 -18 48 o 25.173  6.5821  89.566     40.658   103.067    52.961   70.189     63.448   26.461  7.7508  22.737  8.5175  3.724319       11.51618 
1 1 1 -21 -18 49 o 42.287  4.8717  235.051    49.072   343.586    65.189   93.137     74.543   50.810  5.3690  24.982  9.2570  25.82772       10.70134 
1 1 1 -21 -18 50 o 34.929  5.8273  167.217    47.648   107.404    62.454   250.519    73.704   26.354  8.5458  41.361  7.6250  -15.00668      11.45301 
1 1 1 -21 -18 51 o 39.041  5.6941  208.190    52.353   252.435    67.248   140.117    83.413   42.093  6.8173  28.767  9.8868  13.32623       12.00933 
1 1 1 -21 -18 52 o 33.314  6.4449  157.852    50.212   130.674    63.652   202.629    81.701   28.662  8.5243  34.975  9.4176  -6.313652      12.70257 
1 1 1 -21 -18 53 o 25.870  7.2265  100.285    47.109   108.449    57.939   84.360     80.920   26.285  8.1967  23.707  9.4166  2.578463       12.48429 
1 1 1 -21 -18 54 o 20.641  7.4654  60.166     48.030   61.536     53.957   54.936     105.410  20.962  7.8543  22.612  9.9420  -1.649670      12.67017 
1 1 1 -21 -18 55 o 9.3923  4.6424  -77.0261   38.801   -58.5930   43.031   -157.1945  89.740   10.873  5.2688  13.959  6.9277  -3.085967      8.703622 
1 1 1 -21 -18 56 o 16.209  6.5722  24.770     40.273   28.705     46.672   13.300     79.690   17.233  7.0417  18.990  8.4801  -1.757294      11.02257 
1 1 1 -21 -18 57 o 28.740  7.0435  122.257    48.735   96.539     59.038   177.267    86.345   24.843  8.3199  31.789  10.021  -6.945478      13.02477 
1 1 1 -21 -18 58 o 18.445  8.7125  -37.9755   102.375  -2.9317    252.548  -44.8664   111.989  25.107  12.297  18.910  8.9848  6.197964       15.22986 
1 1 1 -21 -18 59 f 26.730  10.909  132.344    111.850  -60.5835   271.640  171.732    122.737  24.271  12.047  28.941  11.565  -4.670000      16.69928 
1 1 1 -21 -18 60 o 55.434  11.306  575.325    146.917  244.512    313.900  668.120    166.251  28.052  13.733  58.192  12.166  -30.13951      18.34692 
1 1 1 -21 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -17 3  o 55.316  6.3678  400.219    83.909   0.0000     0.0000   400.219    83.909   ?       ?       55.316  6.3678  0.000000       6.367845 
1 1 1 -21 -17 4  o 73.761  4.1029  679.788    73.140   546.706    157.029  716.659    82.654   60.989  11.017  75.502  4.5327  -14.51291      11.91262 
1 1 1 -21 -17 5  o 92.830  3.8441  1069.35    86.586   1111.71    146.461  1046.58    107.355  92.504  6.5680  91.105  4.8741  1.398369       8.178945 
1 1 1 -21 -17 6  o 53.161  3.9156  352.445    50.152   305.018    86.788   376.222    61.450   47.585  7.7860  54.622  4.6818  -7.036903      9.085202 
1 1 1 -21 -17 7  o 14.526  6.3528  -4.8543    42.538   -1.6754    89.008   -5.7953    48.426   20.803  9.1415  15.415  6.7589  5.388821       11.36880 
1 1 1 -21 -17 8  o 65.897  5.7238  554.171    90.611   527.661    155.486  567.804    111.502  60.563  10.985  65.865  7.0885  -5.302219      13.07383 
1 1 1 -21 -17 9  f 46.479  4.0401  269.655    45.109   274.440    73.582   266.774    57.097   45.752  6.8381  45.801  5.2316  -0.4937744E-01 8.609798 
1 1 1 -21 -17 10 o 29.000  5.4749  109.064    37.112   126.284    59.571   98.141     47.444   30.483  7.9658  27.078  7.1247  3.404335       10.68717 
1 1 1 -21 -17 11 o 31.835  5.3249  130.338    39.679   139.523    62.300   124.070    51.468   32.054  8.0277  30.480  7.0924  1.573717       10.71197 
1 1 1 -21 -17 12 o 68.133  3.9955  575.906    65.764   673.646    109.686  521.051    82.172   72.564  6.2920  64.247  5.3191  8.317596       8.238992 
1 1 1 -21 -17 13 o 47.371  4.8997  282.648    55.504   179.510    90.071   345.792    70.476   35.795  9.9901  52.141  5.6615  -16.34625      11.48280 
1 1 1 -21 -17 14 o 23.342  7.1946  70.615     44.785   49.639     74.166   82.652     56.184   23.083  9.0636  25.240  8.0973  -2.156364      12.15380 
1 1 1 -21 -17 15 o 16.782  6.7169  20.024     41.479   28.300     67.148   14.917     52.746   20.690  8.4494  17.850  7.4090  2.840641       11.23768 
1 1 1 -21 -17 16 o 53.545  4.8967  359.812    62.915   249.174    105.214  421.392    78.494   42.118  10.366  57.660  5.6844  -15.54209      11.82192 
1 1 1 -21 -17 17 o 28.214  7.4285  106.084    51.554   36.941     85.570   145.482    64.593   23.192  9.5124  32.839  8.1458  -9.647087      12.52359 
1 1 1 -21 -17 18 f 36.806  9.5239  187.044    85.705   152.708    150.390  203.559    104.298  34.528  13.075  37.966  10.805  -3.437878      16.96136 
1 1 1 -21 -17 19 o 86.723  5.9640  951.700    124.735  981.104    197.886  932.315    160.674  85.248  9.7418  84.522  7.9271  0.7258224      12.55952 
1 1 1 -21 -17 20 o 30.664  9.1381  127.311    73.095   151.517    117.368  111.973    93.425   33.540  11.716  29.611  10.445  3.928818       15.69620 
1 1 1 -21 -17 21 o 38.125  6.1328  187.620    54.809   185.347    89.554   188.981    69.305   36.520  9.8709  37.613  7.8477  -1.093220      12.61036 
1 1 1 -21 -17 22 o 55.750  4.9743  390.231    66.582   162.064    107.722  531.289    84.698   34.204  11.230  64.917  5.4270  -30.71222      12.47268 
1 1 1 -21 -17 23 o 19.216  7.3754  34.916     48.265   -14.4095   76.762   67.167     62.070   18.942  8.3988  23.807  8.5014  -4.864710      11.95041 
1 1 1 -21 -17 24 o 30.846  6.4663  125.010    46.850   115.452    62.654   137.134    70.561   29.255  8.3907  31.696  8.8408  -2.441092      12.18870 
1 1 1 -21 -17 25 o 48.249  4.9143  293.183    56.730   336.156    77.362   243.192    83.439   51.091  6.3796  42.445  8.3992  8.646160       10.54729 
1 1 1 -21 -17 26 o 65.643  16.048  704.056    253.459  704.056    253.459  0.0000     0.0000   65.643  16.048  ?       ?       0.000000       16.04776 
1 1 1 -21 -17 27 o 35.826  14.727  154.698    205.681  154.698    205.681  0.0000     0.0000   35.826  14.727  ?       ?       0.000000       14.72723 
1 1 1 -21 -17 28 o 30.656  13.542  38.331     197.738  38.331     197.738  0.0000     0.0000   30.656  13.542  ?       ?       0.000000       13.54179 
1 1 1 -21 -17 29 o 53.315  4.9847  359.026    63.736   294.001    85.885   438.736    95.090   46.871  7.8279  58.002  6.8915  -11.13068      10.42917 
1 1 1 -21 -17 30 o 79.425  4.1116  785.135    78.967   843.991    114.845  732.356    108.755  81.321  5.8596  75.653  5.9732  5.667252       8.367431 
1 1 1 -21 -17 31 o 13.183  5.8440  -9.4674    37.147   30.891     58.492   -36.7483   48.090   19.769  7.9538  13.323  6.1880  6.446606       10.07736 
1 1 1 -21 -17 32 o 50.905  4.6634  326.968    56.960   394.701    85.778   273.542    76.182   54.995  6.5575  45.361  7.1590  9.633694       9.708394 
1 1 1 -21 -17 33 o 96.490  4.0247  1157.78    94.228   1383.42    141.230  976.745    126.500  104.157 5.6089  87.150  6.0190  17.00632       8.227322 
1 1 1 -21 -17 34 o 81.632  4.0201  829.342    79.627   978.418    120.801  714.806    105.886  87.382  5.7292  74.515  5.9048  12.86673       8.227427 
1 1 1 -21 -17 35 o 80.861  4.0411  814.685    79.288   916.707    119.720  734.974    105.823  84.373  5.8847  75.562  5.8165  8.810455       8.274151 
1 1 1 -21 -17 36 o 36.539  5.4306  173.186    46.683   169.381    74.858   175.608    59.718   34.481  8.8903  36.037  7.0820  -1.556610      11.36630 
1 1 1 -21 -17 37 o 35.405  5.7729  164.305    47.884   138.971    74.808   181.889    62.324   31.106  9.2389  36.553  7.2828  -5.446842      11.76415 
1 1 1 -21 -17 38 o 30.371  7.4339  127.295    54.340   164.000    72.741   80.947     81.740   33.879  8.7777  25.534  9.6462  8.345213       13.04213 
1 1 1 -21 -17 39 o 53.928  9.0804  412.034    114.596  0.0000     0.0000   412.034    114.596  ?       ?       53.928  9.0804  0.000000       9.080404 
1 1 1 -21 -17 40 o 21.451  8.7094  40.810     70.828   0.0000     0.0000   40.810     70.828   ?       ?       21.451  8.7094  0.000000       8.709393 
1 1 1 -21 -17 41 o 21.040  8.4133  42.378     65.009   0.0000     0.0000   42.378     65.009   ?       ?       21.040  8.4133  0.000000       8.413348 
1 1 1 -21 -17 42 o 10.639  5.2020  -77.9600   44.637   -26.9328   72.274   -109.4275  56.756   17.159  7.8281  11.565  5.6972  5.593296       9.681804 
1 1 1 -21 -17 43 o 17.296  6.7859  28.179     41.543   0.6293     52.953   72.277     66.994   16.290  7.1071  23.746  8.7804  -7.456001      11.29631 
1 1 1 -21 -17 44 o 25.976  8.9821  95.185     68.898   180.935    145.394  70.353     78.240   33.072  12.773  24.016  9.3431  9.056566       15.82496 
1 1 1 -21 -17 45 o 54.531  7.2959  410.164    94.116   326.109    185.504  439.301    109.217  40.280  14.656  55.451  8.3787  -15.17079      16.88164 
1 1 1 -21 -17 46 o 35.607  8.9193  190.406    76.896   397.968    161.496  129.551    87.445   46.208  13.535  28.975  10.113  17.23295       16.89585 
1 1 1 -21 -17 47 o 54.256  4.4137  377.731    57.602   347.030    76.693   417.462    87.246   50.529  6.3988  55.246  6.6416  -4.717346      9.222528 
1 1 1 -21 -17 48 o 57.993  4.3902  432.312    61.319   370.290    81.088   515.144    93.709   51.888  6.5892  61.504  6.3718  -9.616772      9.166105 
1 1 1 -21 -17 49 o 35.199  5.7722  168.295    47.589   170.344    61.156   165.150    75.771   34.159  7.5768  32.303  9.2150  1.855701       11.92999 
1 1 1 -21 -17 50 o 25.529  6.5732  93.071     40.961   95.047     51.475   89.661     67.633   25.276  7.6994  24.476  8.8578  0.8002548      11.73636 
1 1 1 -21 -17 51 o 8.9326  4.3819  -58.5450   32.459   -67.6070   35.386   -10.4605   81.512   9.1433  4.5030  18.140  8.2903  -8.996570      9.434304 
1 1 1 -21 -17 52 o 16.706  6.8285  25.341     43.907   -21.7602   50.813   164.156    87.233   14.012  6.4560  30.721  10.107  -16.70884      11.99283 
1 1 1 -21 -17 53 o 24.516  7.1686  89.434     45.338   101.687    52.740   54.735     88.749   25.768  7.7810  22.003  9.3959  3.765066       12.19949 
1 1 1 -21 -17 54 o 27.065  7.4179  110.553    50.162   128.567    54.507   10.897     128.205  29.068  7.6311  21.878  10.141  7.190042       12.69167 
1 1 1 -21 -17 55 o 26.489  7.5748  106.688    51.134   95.416     56.435   158.375    120.850  24.823  8.1274  28.779  11.484  -3.955593      14.06863 
1 1 1 -21 -17 56 o 11.082  5.2471  -34.9996   37.550   -42.2123   43.333   -13.2580   75.235   11.714  5.5726  17.277  7.9215  -5.563498      9.685226 
1 1 1 -21 -17 57 o 29.842  6.9155  130.377    49.095   140.610    60.303   110.260    84.551   30.081  8.0872  25.866  9.8013  4.214804       12.70697 
1 1 1 -21 -17 58 o 16.119  7.8356  -99.5466   97.140   -395.3936  224.031  -31.0458   107.801  19.263  9.7410  19.127  9.0060  0.1356945      13.26628 
1 1 1 -21 -17 59 o 19.871  9.1600  2.5240     102.464  18.229     236.801  -1.0938    113.655  24.900  12.133  20.395  9.4862  4.504284       15.40113 
1 1 1 -21 -17 60 o 15.287  7.5051  -117.2308  95.821   -299.4739  233.285  -80.2442   105.095  20.074  10.129  17.042  8.2521  3.032743       13.06496 
1 1 1 -21 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -16 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -16 3  o 42.423  6.5220  236.902    64.985   0.0000     0.0000   236.902    64.985   ?       ?       42.423  6.5220  0.000000       6.522010 
1 1 1 -21 -16 4  o 68.993  4.0396  593.370    67.331   621.880    143.238  585.284    76.285   67.282  8.9994  68.233  4.6351  -0.9508057     10.12293 
1 1 1 -21 -16 5  o 44.210  4.0736  244.632    43.207   123.073    73.556   308.671    53.389   29.807  9.2258  49.548  4.4895  -19.74047      10.26022 
1 1 1 -21 -16 6  o 36.482  4.3195  167.701    37.493   181.568    65.036   160.798    45.886   36.719  7.5517  35.301  5.5393  1.417870       9.365484 
1 1 1 -21 -16 7  o 89.838  5.6702  1024.04    122.967  946.290    209.692  1064.80    151.809  81.858  10.823  90.629  6.9565  -8.770943      12.86572 
1 1 1 -21 -16 8  o 76.237  5.7073  737.691    104.808  712.378    183.440  749.958    127.704  70.923  11.017  76.043  6.9998  -5.120041      13.05287 
1 1 1 -21 -16 9  o 18.510  5.9151  42.795     30.005   30.611     48.401   50.400     38.239   18.736  7.3320  20.185  6.6940  -1.449253      9.928134 
1 1 1 -21 -16 10 o 14.652  5.7006  17.813     29.128   -21.4529   46.955   42.375     37.137   14.145  6.3963  18.992  6.5929  -4.847575      9.185802 
1 1 1 -21 -16 11 o 71.244  3.9518  628.525    68.046   633.943    109.637  625.131    86.783   70.365  6.4948  70.579  5.1018  -0.2142639     8.259011 
1 1 1 -21 -16 12 o 47.879  4.7916  287.755    54.919   343.757    89.195   253.561    69.697   51.287  7.3801  44.211  6.7077  7.076096       9.972939 
1 1 1 -21 -16 13 f 21.326  7.2157  55.377     44.411   31.845     72.035   69.806     56.407   21.527  8.7668  23.801  8.1316  -2.273903      11.95739 
1 1 1 -21 -16 14 o 39.935  5.8346  204.088    54.869   75.183     93.461   271.884    67.779   26.678  10.258  46.049  6.2257  -19.37099      11.99907 
1 1 1 -21 -16 15 o 20.823  7.5306  48.315     48.872   62.781     84.840   41.131     59.789   25.132  9.7425  21.104  8.1793  4.027712       12.72070 
1 1 1 -21 -16 16 o 40.534  5.9250  210.253    56.552   135.367    98.297   247.303    69.141   31.921  10.735  43.716  6.7345  -11.79478      12.67278 
1 1 1 -21 -16 17 o 37.365  5.9257  179.167    51.930   161.277    88.422   188.586    64.162   34.282  10.007  37.890  7.2429  -3.608704      12.35340 
1 1 1 -21 -16 18 o 49.104  7.4111  314.242    85.553   257.293    134.609  352.836    110.813  42.221  12.354  51.165  9.2672  -8.943901      15.44343 
1 1 1 -21 -16 19 o 51.609  7.2551  345.622    88.342   299.203    141.090  375.556    113.301  45.417  12.438  52.879  9.1625  -7.462170      15.44820 
1 1 1 -21 -16 20 o 39.299  8.5720  207.810    79.437   259.905    128.481  175.573    101.071  42.558  11.951  35.592  10.777  6.965149       16.09239 
1 1 1 -21 -16 21 o 35.154  6.9399  162.041    57.095   218.563    113.911  143.077    65.981   39.306  11.325  32.607  8.3141  6.698997       14.04956 
1 1 1 -21 -16 22 o 21.557  6.8596  58.610     40.385   18.545     54.336   108.058    60.364   18.424  7.5711  28.481  8.2554  -10.05724      11.20149 
1 1 1 -21 -16 23 o 41.456  5.2899  217.742    51.997   271.676    74.582   166.735    72.531   45.744  6.9371  35.088  8.5886  10.65603       11.04023 
1 1 1 -21 -16 24 o 33.043  6.1920  141.865    47.821   154.807    64.768   126.355    70.907   33.953  7.9941  30.578  8.9717  3.375544       12.01648 
1 1 1 -21 -16 25 o 50.256  6.9468  327.700    82.445   327.700    82.445   0.0000     0.0000   50.256  6.9468  ?       ?       0.000000       6.946775 
1 1 1 -21 -16 26 o 76.386  14.362  885.229    256.422  885.229    256.422  0.0000     0.0000   76.386  14.362  ?       ?       0.000000       14.36213 
1 1 1 -21 -16 27 o 32.604  13.997  79.003     198.838  79.003     198.838  0.0000     0.0000   32.604  13.997  ?       ?       0.000000       13.99681 
1 1 1 -21 -16 28 o 33.144  10.141  153.213    89.170   21.509     194.829  188.111    100.291  30.092  13.360  36.355  10.671  -6.263176      17.09811 
1 1 1 -21 -16 29 o 80.623  4.2554  808.731    82.952   785.311    116.381  832.916    118.266  78.384  6.1690  80.796  6.0771  -2.412575      8.659581 
1 1 1 -21 -16 30 o 99.820  3.9771  1233.99    96.328   1372.39    144.651  1123.72    129.124  103.979 5.7558  94.115  5.6810  9.863617       8.087234 
1 1 1 -21 -16 31 o 29.789  6.2633  117.161    43.834   101.195    68.621   128.167    56.974   27.472  8.9605  30.719  7.6677  -3.247223      11.79340 
1 1 1 -21 -16 32 o 54.495  4.4159  372.512    57.888   433.383    90.607   330.528    75.248   57.705  6.5894  50.475  6.2798  7.229370       9.102513 
1 1 1 -21 -16 33 o 74.462  4.0613  691.043    73.100   734.592    110.934  657.620    97.184   75.545  6.1041  71.767  5.6260  3.778511       8.301305 
1 1 1 -21 -16 34 o 62.064  4.1818  481.913    62.608   433.270    94.279   520.285    83.737   57.361  6.9131  63.833  5.4589  -6.471920      8.808522 
1 1 1 -21 -16 35 o 61.810  4.2359  478.845    63.145   518.087    95.094   447.897    84.450   63.124  6.2924  58.836  5.9994  4.287834       8.694150 
1 1 1 -21 -16 36 o 56.077  4.4835  396.445    60.496   408.096    92.805   387.836    79.773   55.422  7.0616  54.591  6.1283  0.8313065      9.350014 
1 1 1 -21 -16 37 o 31.688  5.9286  132.581    43.908   140.079    68.025   127.226    57.488   31.465  8.6443  30.298  7.7797  1.166605       11.62957 
1 1 1 -21 -16 38 o 38.229  9.9982  215.497    93.798   0.0000     0.0000   215.497    93.798   ?       ?       38.229  9.9982  0.000000       9.998184 
1 1 1 -21 -16 39 o 58.355  9.2872  482.882    127.093  0.0000     0.0000   482.882    127.093  ?       ?       58.355  9.2872  0.000000       9.287189 
1 1 1 -21 -16 40 o 40.897  10.091  248.446    99.524   0.0000     0.0000   248.446    99.524   ?       ?       40.897  10.091  0.000000       10.09119 
1 1 1 -21 -16 41 o 30.658  7.7677  131.522    57.852   290.172    93.145   31.883     73.816   45.187  8.8119  21.029  8.7497  24.15812       12.41797 
1 1 1 -21 -16 42 o 23.043  6.7493  72.018     40.160   48.248     51.080   110.496    64.990   20.454  7.6463  27.867  8.6797  -7.413700      11.56732 
1 1 1 -21 -16 43 o 44.167  4.9076  250.943    51.704   264.470    67.449   231.667    80.515   44.492  6.4347  40.261  8.5083  4.231033       10.66752 
1 1 1 -21 -16 44 o 46.306  8.1803  302.970    88.550   148.620    169.579  360.835    103.830  31.664  13.226  50.016  8.8809  -18.35184      15.93069 
1 1 1 -21 -16 45 o 43.395  8.1295  268.210    82.454   309.364    166.530  254.845    94.903   40.395  13.965  40.991  9.6940  -0.5960426     16.99954 
1 1 1 -21 -16 46 o 22.918  8.6307  67.556     65.313   -20.1293   133.059  95.388     74.965   22.540  10.407  25.846  9.3299  -3.306105      13.97684 
1 1 1 -21 -16 47 o 14.204  5.9773  8.9038     35.042   -13.0375   43.146   51.423     60.062   13.667  6.1603  20.991  8.1806  -7.323757      10.24066 
1 1 1 -21 -16 48 o 60.731  4.4179  473.813    64.655   397.103    85.444   576.583    98.898   53.694  6.7044  65.192  6.3320  -11.49795      9.221886 
1 1 1 -21 -16 49 o 46.376  5.3419  285.602    59.011   203.878    74.339   424.840    97.033   36.723  8.5094  54.520  7.5365  -17.79746      11.36696 
1 1 1 -21 -16 50 o 61.356  4.7237  490.878    69.784   424.351    90.579   588.031    109.460  54.889  6.9572  64.486  7.1140  -9.597660      9.950484 
1 1 1 -21 -16 51 o 19.447  6.5943  51.702     37.092   98.395     41.346   -140.8262  83.957   26.223  6.5246  13.882  6.8556  12.34022       9.464129 
1 1 1 -21 -16 52 o 19.208  6.9574  49.054     41.738   51.473     47.052   40.124     90.411   19.746  7.3471  21.377  9.3076  -1.630560      11.85799 
1 1 1 -21 -16 53 o 21.068  7.1172  63.524     43.206   75.141     49.844   28.413     86.654   22.560  7.6442  20.413  8.9933  2.147293       11.80313 
1 1 1 -21 -16 54 o 17.488  7.2809  26.459     51.159   -31.4666   55.451   357.809    132.623  14.102  6.5815  42.836  12.182  -28.73374      13.84584 
1 1 1 -21 -16 55 o 27.587  7.4270  114.424    50.817   98.925     60.090   153.344    95.220   25.182  8.3933  29.267  10.521  -4.085058      13.45900 
1 1 1 -21 -16 56 o 14.012  5.8120  12.994     32.424   30.226     35.215   -82.9806   83.107   16.374  6.2963  15.343  7.4065  1.031677       9.721110 
1 1 1 -21 -16 57 f 41.243  5.9320  234.992    57.655   141.224    69.543   441.118    103.108  29.473  8.9429  54.114  8.1020  -24.64063      12.06725 
1 1 1 -21 -16 58 o 31.954  11.628  203.486    116.786  380.398    273.513  164.041    129.151  33.321  15.212  28.891  11.749  4.429813       19.22091 
1 1 1 -21 -16 59 o 21.412  10.726  -229.4843  237.555  -229.4843  237.555  0.0000     0.0000   21.412  10.726  ?       ?       0.000000       10.72584 
1 1 1 -21 -16 60 f 21.830  9.7799  48.245     106.911  -257.3573  269.082  105.532    116.502  21.640  10.914  24.871  10.697  -3.231388      15.28153 
1 1 1 -21 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -15 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -15 3  o 30.119  5.9998  119.268    42.307   69.159     78.561   139.737    50.209   24.762  9.4321  32.432  6.6048  -7.669441      11.51470 
1 1 1 -21 -15 4  o 58.325  3.7234  422.162    52.419   323.343    88.075   476.365    65.229   49.264  7.6136  61.709  4.3850  -12.44438      8.786074 
1 1 1 -21 -15 5  o 46.491  3.8756  269.130    43.321   247.604    72.313   281.179    54.104   43.297  7.1317  47.216  4.7888  -3.919441      8.590301 
1 1 1 -21 -15 6  o 55.626  3.8551  384.119    51.712   355.472    87.545   399.471    64.087   52.115  7.1085  56.415  4.7253  -4.299671      8.535791 
1 1 1 -21 -15 7  o 100.888 5.7535  1287.68    140.258  1364.09    241.366  1248.72    172.343  99.748  10.112  98.143  7.2892  1.605179       12.46564 
1 1 1 -21 -15 8  o 29.594  7.7669  117.711    56.475   35.485     109.762  147.316    65.862   25.119  10.575  32.960  8.2536  -7.841841      13.41469 
1 1 1 -21 -15 9  o 13.053  5.3983  6.9308     27.854   54.020     45.575   -21.1468   35.192   21.210  7.3069  11.951  5.4562  9.258987       9.119296 
1 1 1 -21 -15 10 f 52.194  3.9809  337.957    50.035   299.357    80.708   362.055    63.769   47.940  7.1575  53.720  4.9479  -5.779591      8.701223 
1 1 1 -21 -15 11 o 37.928  5.2025  182.435    46.617   184.662    75.527   181.064    59.249   36.968  8.5846  37.243  6.8075  -0.2744522     10.95612 
1 1 1 -21 -15 12 f 76.798  4.0539  729.284    75.274   573.194    119.658  831.509    96.836   66.506  7.5488  81.668  4.9096  -15.16153      9.004947 
1 1 1 -21 -15 13 o 55.027  4.7785  378.183    63.168   346.124    104.777  396.488    79.174   50.950  8.7930  55.935  5.9238  -4.984207      10.60228 
1 1 1 -21 -15 14 o 55.571  4.8121  385.616    64.244   307.254    108.291  428.173    79.805   47.525  9.7187  58.249  5.7203  -10.72312      11.27717 
1 1 1 -21 -15 15 o 33.421  6.5364  145.300    51.107   231.669    89.774   103.888    62.163   41.385  9.1803  28.083  8.4403  13.30213       12.47067 
1 1 1 -21 -15 16 o 24.536  7.4044  77.838     47.768   75.389     80.526   79.168     59.335   25.990  9.6232  25.132  8.3387  0.8585777      12.73342 
1 1 1 -21 -15 17 o 46.160  5.3768  268.668    59.092   245.291    96.853   282.530    74.583   42.452  9.6246  46.861  6.7544  -4.409321      11.75822 
1 1 1 -21 -15 18 f 16.602  7.4673  -24.6675   63.005   71.511     108.841  -73.1383   77.267   27.647  10.940  16.262  7.6469  11.38499       13.34772 
1 1 1 -21 -15 19 o 45.426  5.7953  261.853    62.421   253.789    79.231   275.050    101.354  44.003  7.7013  45.034  9.5706  -1.030392      12.28435 
1 1 1 -21 -15 20 o 39.123  6.6006  197.840    60.429   158.309    74.675   272.842    102.858  34.249  8.9035  44.755  9.7478  -10.50655      13.20192 
1 1 1 -21 -15 21 o 29.537  6.1284  113.306    42.482   141.227    57.305   79.239     63.299   32.690  7.3972  25.323  8.6142  7.367056       11.35447 
1 1 1 -21 -15 22 o 53.216  4.3271  351.907    55.389   309.535    76.769   397.914    79.993   49.110  6.6104  56.035  5.9756  -6.925003      8.910996 
1 1 1 -21 -15 23 o 54.455  4.3777  368.726    57.353   361.375    77.235   377.762    85.631   53.314  6.0792  54.291  6.6387  -0.9774590     9.001656 
1 1 1 -21 -15 24 o 85.082  5.9340  913.249    121.736  913.249    121.736  0.0000     0.0000   85.082  5.9340  ?       ?       0.000000       5.933979 
1 1 1 -21 -15 25 o 35.717  8.4613  172.165    72.203   172.165    72.203   0.0000     0.0000   35.717  8.4613  ?       ?       0.000000       8.461320 
1 1 1 -21 -15 26 o 47.120  15.880  352.425    215.102  352.425    215.102  0.0000     0.0000   47.120  15.880  ?       ?       0.000000       15.88035 
1 1 1 -21 -15 27 o 23.868  9.5811  47.659     84.666   260.188    197.826  0.0013     93.679   41.636  15.137  21.685  9.4571  19.95099       17.84814 
1 1 1 -21 -15 28 o 30.045  10.482  117.941    93.931   177.929    207.157  102.416    105.388  37.297  14.981  29.245  10.973  8.051220       18.57024 
1 1 1 -21 -15 29 o 101.751 3.9659  1279.87    97.915   1429.45    146.812  1160.03    131.409  106.341 5.7107  95.790  5.6791  10.55074       8.053846 
1 1 1 -21 -15 30 o 57.735  4.3228  416.040    60.119   531.480    92.902   332.871    78.855   64.500  6.0051  50.673  6.5679  13.82726       8.899384 
1 1 1 -21 -15 31 o 51.313  4.5581  330.512    56.161   409.154    88.163   276.806    72.856   56.174  6.5936  46.025  6.7222  10.14939       9.416149 
1 1 1 -21 -15 32 o 55.379  4.4448  384.400    59.222   465.342    91.172   325.321    77.892   60.009  6.3584  49.965  6.5852  10.04409       9.153922 
1 1 1 -21 -15 33 o 48.856  4.7096  301.260    55.138   392.183    85.676   236.978    72.038   54.868  6.5657  42.135  7.3113  12.73303       9.826678 
1 1 1 -21 -15 34 o 59.844  4.3320  448.800    62.478   589.064    96.492   347.543    81.984   67.702  5.9338  51.465  6.7262  16.23724       8.969482 
1 1 1 -21 -15 35 o 17.967  6.8018  32.914     40.696   83.570     62.534   -4.3009    53.599   25.218  8.5621  16.258  7.1201  8.959784       11.13576 
1 1 1 -21 -15 36 o 34.195  5.8384  153.111    46.703   148.652    71.284   156.465    61.818   32.435  8.8234  33.751  7.7166  -1.315392      11.72167 
1 1 1 -21 -15 37 o 37.073  7.2324  186.032    62.722   0.0000     0.0000   186.032    62.722   ?       ?       37.073  7.2324  0.000000       7.232358 
1 1 1 -21 -15 38 o 51.045  9.8789  375.955    117.933  0.0000     0.0000   375.955    117.933  ?       ?       51.045  9.8789  0.000000       9.878933 
1 1 1 -21 -15 39 o 44.079  10.046  284.978    105.059  0.0000     0.0000   284.978    105.059  ?       ?       44.079  10.046  0.000000       10.04646 
1 1 1 -21 -15 40 f 56.842  5.5974  417.275    76.199   398.584    98.927   444.540    119.484  54.102  7.7580  56.107  9.0875  -2.004734      11.94857 
1 1 1 -21 -15 41 o 21.453  6.7949  60.793     39.661   49.926     49.995   79.242     65.144   20.623  7.5923  24.588  8.7169  -3.965015      11.55973 
1 1 1 -21 -15 42 o 58.892  4.3658  438.340    61.942   354.371    82.149   548.985    94.300   51.522  6.7322  64.782  6.0699  -13.26031      9.064595 
1 1 1 -21 -15 43 o 19.686  6.9135  48.105     40.892   20.122     52.484   91.338     65.235   17.827  7.3944  25.706  8.7450  -7.878994      11.45213 
1 1 1 -21 -15 44 o 57.278  7.4916  450.156    101.623  525.589    194.067  421.657    119.286  53.627  14.546  53.614  9.5182  0.1364517E-01  17.38341 
1 1 1 -21 -15 45 o 28.714  10.070  122.830    86.735   62.325     198.471  137.114    96.431   28.817  13.079  29.954  10.607  -1.136482      16.83960 
1 1 1 -21 -15 46 o 34.357  6.6499  162.337    53.433   154.404    61.246   187.616    109.328  32.791  7.8094  33.670  11.322  -0.8785820     13.75374 
1 1 1 -21 -15 47 o 23.381  7.2277  76.805     45.161   65.001     53.962   104.399    82.507   22.079  7.9222  26.637  9.7615  -4.557522      12.57167 
1 1 1 -21 -15 48 o 29.134  6.9596  120.451    48.524   127.994    59.554   105.553    83.697   29.385  8.0944  26.543  9.8142  2.842661       12.72155 
1 1 1 -21 -15 49 o 37.690  5.8154  192.312    51.472   173.016    63.358   229.769    88.271   34.351  7.7818  38.093  9.5641  -3.741821      12.33002 
1 1 1 -21 -15 50 o 28.181  6.9096  114.217    46.883   123.538    55.782   91.791     86.525   28.769  7.7966  25.039  9.8019  3.729929       12.52456 
1 1 1 -21 -15 51 o 24.988  7.5977  92.906     50.157   43.646     58.608   227.718    96.955   19.760  7.9575  36.405  10.437  -16.64481      13.12433 
1 1 1 -21 -15 52 o 15.691  6.5693  16.669     41.978   -3.8939    47.887   84.915     87.238   14.786  6.5902  24.179  9.7186  -9.393207      11.74234 
1 1 1 -21 -15 53 o 10.375  4.9620  -40.4650   35.330   -36.4247   36.570   -97.0356   136.840  10.836  5.1445  19.382  9.3932  -8.545944      10.70973 
1 1 1 -21 -15 54 o 15.632  6.5921  15.393     42.767   15.872     45.203   11.304     132.046  15.964  6.7573  22.235  10.302  -6.271029      12.32013 
1 1 1 -21 -15 55 o 22.868  7.1228  76.702     43.766   80.098     49.567   64.690     93.228   23.204  7.6178  22.909  9.7009  0.2946949      12.33442 
1 1 1 -21 -15 56 o 22.874  7.3958  77.029     46.803   44.169     54.331   171.572    92.156   19.403  7.7131  31.177  10.394  -11.77379      12.94359 
1 1 1 -21 -15 57 o 18.690  8.4369  2.9802     81.281   -20.0599   231.153  6.2310     86.826   24.913  12.105  19.295  8.7142  5.617231       14.91509 
1 1 1 -21 -15 58 o 32.268  11.655  206.867    117.003  178.439    275.124  213.143    129.275  28.871  13.819  32.032  12.124  -3.160936      18.38317 
1 1 1 -21 -15 59 o 28.216  11.351  155.199    119.115  154.425    273.263  155.380    132.351  27.801  13.423  28.001  11.689  -0.2000923     17.79883 
1 1 1 -21 -15 60 o 17.310  8.3043  -60.0985   100.636  102.713    338.081  -75.9271   105.414  26.464  13.185  17.208  8.3156  9.256090       15.58827 
1 1 1 -21 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -14 2  o 45.016  6.4411  264.245    68.349   0.0000     0.0000   264.245    68.349   ?       ?       45.016  6.4411  0.000000       6.441072 
1 1 1 -21 -14 3  o 22.907  6.2280  69.172     35.527   30.736     61.655   88.278     43.470   20.162  8.1469  25.727  6.8441  -5.564774      10.64019 
1 1 1 -21 -14 4  o 45.611  3.7716  258.578    41.366   239.014    69.215   269.450    51.594   42.664  6.9234  46.282  4.6575  -3.618443      8.344217 
1 1 1 -21 -14 5  o 69.783  4.3647  606.555    73.533   609.841    100.866  602.828    107.428  69.147  6.0734  68.479  6.5451  0.6675110      8.928848 
1 1 1 -21 -14 6  o 116.752 3.9855  1684.02    112.905  1478.37    177.923  1822.66    146.088  107.324 6.8684  120.854 4.9818  -13.52918      8.484876 
1 1 1 -21 -14 7  o 23.475  8.5620  62.836     63.368   0.0000     0.0000   62.836     63.368   ?       ?       23.475  8.5620  0.000000       8.561954 
1 1 1 -21 -14 8  o 19.572  7.5140  36.007     50.105   9.4950     111.644  42.693     56.068   24.000  10.396  20.872  7.9639  3.128471       13.09602 
1 1 1 -21 -14 9  o 24.544  5.7442  78.396     33.603   75.728     55.338   79.955     42.292   24.486  8.0495  24.700  6.8284  -0.2142334     10.55567 
1 1 1 -21 -14 10 o 83.668  3.7914  861.221    76.971   770.913    122.618  919.947    98.879   77.858  6.5516  86.011  4.7564  -8.153427      8.096066 
1 1 1 -21 -14 11 o 127.714 4.2386  2012.41    131.350  1940.85    204.739  2062.46    171.232  123.605 6.8534  128.568 5.4889  -4.963127      8.780485 
1 1 1 -21 -14 12 o 106.320 4.1630  1393.24    107.395  1217.70    170.112  1509.56    138.480  97.638  7.2319  110.198 5.1790  -12.55985      8.895055 
1 1 1 -21 -14 13 o 65.313  4.2244  527.884    66.589   458.750    110.209  567.633    83.567   59.457  7.8296  67.424  5.1470  -7.966614      9.369893 
1 1 1 -21 -14 14 o 88.482  4.0185  963.290    86.274   951.304    135.994  971.363    111.609  86.734  6.5094  88.280  5.2338  -1.545494      8.352565 
1 1 1 -21 -14 15 o 101.095 4.0871  1257.85    100.257  1191.92    157.117  1303.13    130.211  97.039  6.7141  102.295 5.2639  -5.255615      8.531580 
1 1 1 -21 -14 16 o 87.926  4.7035  958.244    99.982   830.997    209.532  995.759    113.770  77.987  11.411  89.396  5.2683  -11.40877      12.56802 
1 1 1 -21 -14 17 o 106.722 3.8679  1399.40    100.160  1408.64    143.203  1390.56    140.141  106.221 5.5757  105.581 5.4893  0.6399689      7.824331 
1 1 1 -21 -14 18 f 104.510 5.0702  1354.12    128.572  1294.03    170.139  1434.14    196.316  100.987 6.9864  105.848 7.6965  -4.861229      10.39446 
1 1 1 -21 -14 19 o 95.409  5.1077  1132.03    117.815  1133.98    153.634  1129.25    183.563  94.648  6.7337  93.546  8.1691  1.102020       10.58667 
1 1 1 -21 -14 20 o 99.698  5.1892  1237.08    125.098  1293.01    163.439  1157.97    194.389  101.093 6.7010  94.421  8.5784  6.672798       10.88539 
1 1 1 -21 -14 21 f 90.884  3.9586  1015.91    87.296   1010.93    121.048  1021.30    126.012  89.904  5.5765  90.264  5.7840  -0.3595657     8.034404 
1 1 1 -21 -14 22 o 60.932  4.3934  460.468    64.518   448.633    87.440   474.613    95.589   59.528  6.1420  61.072  6.5530  -1.544220      8.981449 
1 1 1 -21 -14 23 o 110.985 4.8889  1527.22    131.655  1428.40    158.388  1748.14    236.816  106.508 6.1550  116.023 8.4706  -9.515305      10.47068 
1 1 1 -21 -14 24 o 123.048 6.0504  1900.49    180.643  1900.49    180.643  0.0000     0.0000   123.048 6.0504  ?       ?       0.000000       6.050399 
1 1 1 -21 -14 25 o 74.128  6.0468  694.546    107.813  694.546    107.813  0.0000     0.0000   74.128  6.0468  ?       ?       0.000000       6.046793 
1 1 1 -21 -14 26 o 35.957  10.081  178.637    91.494   343.323    201.598  135.918    102.677  47.092  15.358  32.078  10.971  15.01391       18.87427 
1 1 1 -21 -14 27 o 25.486  9.7834  67.549     84.934   121.470    196.788  55.205     94.155   34.727  14.354  25.251  10.115  9.475779       17.56003 
1 1 1 -21 -14 28 o 37.218  8.8866  189.086    79.144   291.233    210.939  172.351    85.381   43.450  15.655  35.289  9.6801  8.160755       18.40645 
1 1 1 -21 -14 29 f 120.040 4.0986  1782.09    119.379  2038.07    175.917  1563.57    162.532  127.248 5.6976  111.054 6.0546  16.19375       8.313890 
1 1 1 -21 -14 30 o 74.259  4.0535  684.184    72.760   666.004    110.748  697.991    96.512   72.089  6.3979  74.385  5.3837  -2.295769      8.361691 
1 1 1 -21 -14 31 o 49.924  4.6677  313.181    55.886   380.961    87.166   265.870    72.823   54.135  6.7850  45.062  6.8784  9.073013       9.661694 
1 1 1 -21 -14 32 o 35.607  5.8416  164.358    48.719   205.234    78.758   139.021    62.006   38.632  8.6208  31.924  8.0161  6.707378       11.77182 
1 1 1 -21 -14 33 o 71.103  4.2045  630.459    72.216   780.175    110.861  520.101    95.181   78.138  5.8906  63.512  6.2576  14.62620       8.594024 
1 1 1 -21 -14 34 o 68.350  4.3330  584.381    71.488   642.342    113.624  546.404    91.974   70.213  6.7527  65.270  5.8702  4.942795       8.947541 
1 1 1 -21 -14 35 o 56.738  4.6843  405.990    63.912   480.130    105.248  362.680    80.442   60.148  7.3655  52.739  6.4185  7.408688       9.769744 
1 1 1 -21 -14 36 o 16.778  7.0795  10.169     49.373   0.0000     0.0000   10.169     49.373   ?       ?       16.778  7.0795  0.000000       7.079526 
1 1 1 -21 -14 37 o 24.534  8.1176  79.823     56.244   0.0000     0.0000   79.823     56.244   ?       ?       24.534  8.1176  0.000000       8.117569 
1 1 1 -21 -14 38 o 38.719  10.341  222.026    98.993   0.0000     0.0000   222.026    98.993   ?       ?       38.719  10.341  0.000000       10.34146 
1 1 1 -21 -14 39 o 55.219  6.3084  399.122    83.004   438.737    114.406  355.093    120.611  56.219  8.6654  49.095  10.446  7.123470       13.57218 
1 1 1 -21 -14 40 o 41.815  4.8467  223.445    48.263   175.132    63.319   290.433    74.559   35.706  7.5447  46.710  6.7763  -11.00406      10.14104 
1 1 1 -21 -14 41 o 20.020  7.5781  43.863     50.511   103.225    70.778   -17.7473   72.106   27.244  9.1097  17.739  7.9827  9.504820       12.11238 
1 1 1 -21 -14 42 o 59.553  4.7171  450.830    67.605   400.453    94.529   503.574    96.724   54.397  7.3501  61.695  6.5620  -7.298489      9.853133 
1 1 1 -21 -14 43 o 26.179  7.5935  95.414     51.056   33.723     67.647   177.065    77.825   20.534  8.4441  34.796  9.1105  -14.26231      12.42189 
1 1 1 -21 -14 44 o 35.838  10.503  199.202    97.231   114.935    204.357  223.861    110.545  31.234  13.783  37.418  11.258  -6.183096      17.79655 
1 1 1 -21 -14 45 o 41.246  10.775  268.646    109.022  508.143    229.939  199.193    123.825  48.574  16.419  34.567  12.036  14.00733       20.35802 
1 1 1 -21 -14 46 o 34.700  6.3659  163.816    51.624   183.683    64.324   127.860    86.536   36.014  7.5998  28.999  10.064  7.014933       12.61133 
1 1 1 -21 -14 47 o 28.830  6.7047  116.024    46.016   156.993    55.262   23.387     83.098   33.460  7.0302  20.721  8.9725  12.73815       11.39872 
1 1 1 -21 -14 48 o 26.511  7.3178  101.049    48.616   78.553     58.036   153.972    89.015   23.600  8.2390  30.880  10.212  -7.280588      13.12119 
1 1 1 -21 -14 49 f 23.605  7.5068  80.056     48.369   30.281     57.571   199.521    89.190   18.760  7.7597  35.017  10.001  -16.25737      12.65811 
1 1 1 -21 -14 50 o 15.650  6.3851  19.649     38.299   66.531     43.964   -127.9142  77.998   21.724  7.1764  13.624  6.7051  8.099543       9.821311 
1 1 1 -21 -14 51 o 10.261  4.9223  -43.3135   35.342   -27.8522   38.972   -114.9196  83.869   11.828  5.5191  14.589  7.1328  -2.761021      9.018679 
1 1 1 -21 -14 52 o 13.938  6.1025  0.8999     39.351   -11.0883   43.632   53.159     91.098   13.677  6.1771  22.266  9.5142  -8.589146      11.34355 
1 1 1 -21 -14 53 o 17.772  6.9767  35.407     43.937   47.620     46.446   -68.5541   135.512  19.286  7.2748  20.074  9.6318  -0.7875328     12.07038 
1 1 1 -21 -14 54 o 18.600  7.0720  42.861     44.115   57.549     46.617   -83.0017   136.465  20.431  7.3599  19.734  9.5177  0.6964455      12.03140 
1 1 1 -21 -14 55 o 32.138  7.1046  150.897    53.929   93.609     63.655   296.571    101.507  24.647  8.6273  42.076  10.076  -17.42897      13.26469 
1 1 1 -21 -14 56 o 25.986  7.2801  100.185    47.737   102.976    54.820   91.429     97.096   25.978  7.9521  24.840  10.154  1.137594       12.89742 
1 1 1 -21 -14 57 o 17.763  8.3812  -44.9142   94.266   -112.8849  270.184  -35.4935   100.586  24.535  12.149  18.633  8.7500  5.902315       14.97222 
1 1 1 -21 -14 58 o 35.165  11.343  235.685    110.143  159.337    380.227  242.678    115.077  28.840  14.304  35.298  11.608  -6.457336      18.42171 
1 1 1 -21 -14 59 o 18.926  8.8306  -18.1823   99.744   -49.9920   370.754  -15.7004   103.562  26.033  13.089  19.286  8.9986  6.747082       15.88348 
1 1 1 -21 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -13 2  o 74.434  6.4612  712.635    115.536  0.0000     0.0000   712.635    115.536  ?       ?       74.434  6.4612  0.000000       6.461222 
1 1 1 -21 -13 3  o 99.695  4.1802  1231.60    101.119  932.353    195.221  1341.33    118.213  82.424  9.9636  103.758 4.6955  -21.33377      11.01455 
1 1 1 -21 -13 4  o 87.230  3.6977  937.830    78.264   874.846    125.813  977.588    99.958   82.814  6.3086  88.535  4.6696  -5.721107      7.848801 
1 1 1 -21 -13 5  o 62.960  4.3860  493.359    66.585   484.352    91.405   503.542    97.192   61.618  6.1977  62.695  6.4826  -1.077515      8.968600 
1 1 1 -21 -13 6  o 29.913  6.1503  116.618    43.148   104.139    55.916   134.988    67.840   27.967  7.8946  31.595  8.6130  -3.627962      11.68367 
1 1 1 -21 -13 7  o 42.225  7.1236  232.564    70.388   173.720    136.292  253.967    82.198   35.799  12.617  43.784  8.0332  -7.984386      14.95756 
1 1 1 -21 -13 8  o 46.162  4.8702  267.151    53.727   195.317    147.350  278.166    57.699   37.640  13.129  47.030  5.1400  -9.390289      14.09911 
1 1 1 -21 -13 9  o 52.202  3.9934  337.356    50.198   344.047    82.010   333.348    63.479   51.821  6.6775  51.554  5.1433  0.2676201      8.428696 
1 1 1 -21 -13 10 o 69.553  3.8442  596.387    64.624   525.399    103.316  642.010    82.827   64.213  6.7311  71.867  4.7770  -7.654182      8.253957 
1 1 1 -21 -13 11 o 52.283  4.5912  340.117    57.654   309.185    101.386  354.900    70.090   48.184  9.0029  53.128  5.5176  -4.944374      10.55919 
1 1 1 -21 -13 12 o 34.511  5.7568  152.153    46.508   178.926    77.474   137.069    58.151   36.541  8.8352  32.240  7.5640  4.300892       11.63074 
1 1 1 -21 -13 13 o 24.625  7.0230  78.586     44.015   20.713     72.904   111.780    55.214   20.987  8.7107  29.127  7.6967  -8.140429      11.62392 
1 1 1 -21 -13 14 o 44.909  4.1496  250.098    44.706   275.130    60.875   220.793    65.867   46.765  5.4681  41.416  6.7898  5.349293       8.717870 
1 1 1 -21 -13 15 o 66.059  3.8418  537.397    61.312   453.560    86.093   623.677    87.338   60.018  5.9920  70.789  5.1193  -10.77200      7.881032 
1 1 1 -21 -13 16 o 61.343  3.9702  464.079    58.777   403.886    81.423   529.576    84.935   56.601  6.0212  65.105  5.4261  -8.504295      8.105387 
1 1 1 -21 -13 17 o 76.059  3.9111  712.106    71.934   633.536    101.337  791.910    102.129  71.057  5.9318  79.745  5.3085  -8.688721      7.960275 
1 1 1 -21 -13 18 o 68.158  5.4506  580.256    89.388   570.519    110.307  598.880    152.556  67.019  6.8810  67.315  9.6132  -0.2960815     11.82207 
1 1 1 -21 -13 19 o 61.370  5.6919  472.416    83.794   397.380    101.154  636.511    149.587  55.472  7.7249  69.722  9.0561  -14.24948      11.90324 
1 1 1 -21 -13 20 o 39.497  6.0220  198.819    55.885   283.199    76.940   104.585    81.309   46.955  6.9642  28.871  9.7633  18.08384       11.99264 
1 1 1 -21 -13 21 f 38.391  5.8156  187.546    52.477   222.995    67.576   133.691    83.292   41.560  6.9465  31.775  9.8146  9.784859       12.02410 
1 1 1 -21 -13 22 o 41.312  6.5153  219.055    63.146   209.702    71.369   252.768    135.501  40.023  7.6276  42.325  12.398  -2.302185      14.55619 
1 1 1 -21 -13 23 o 51.237  7.0140  337.327    84.910   337.327    84.910   0.0000     0.0000   51.237  7.0140  ?       ?       0.000000       7.014033 
1 1 1 -21 -13 24 o 76.142  6.1279  731.197    112.255  731.197    112.255  0.0000     0.0000   76.142  6.1279  ?       ?       0.000000       6.127857 
1 1 1 -21 -13 25 o 56.627  9.3412  428.708    123.873  461.820    219.946  413.326    149.909  54.604  15.738  54.205  11.738  0.3992615      19.63350 
1 1 1 -21 -13 26 o 61.322  8.4317  494.537    122.137  612.056    215.981  439.288    148.090  64.151  14.246  56.100  11.271  8.051861       18.16543 
1 1 1 -21 -13 27 o 57.852  8.2587  440.669    112.638  260.574    226.386  499.922    129.852  42.399  16.045  61.246  9.0070  -18.84678      18.39986 
1 1 1 -21 -13 28 o 26.941  7.4089  96.198     49.942   80.896     84.999   104.265    61.719   26.593  9.8789  28.014  8.4081  -1.420242      12.97258 
1 1 1 -21 -13 29 o 63.998  4.5883  510.919    70.776   635.756    111.677  427.121    91.497   70.436  6.6118  57.603  6.6697  12.83297       9.391489 
1 1 1 -21 -13 30 o 98.627  4.2279  1204.73    101.178  1329.49    151.739  1104.85    135.764  102.296 6.1417  93.302  6.0292  8.993935       8.606520 
1 1 1 -21 -13 31 o 123.383 4.3437  1889.64    130.040  2235.50    192.761  1600.77    176.167  132.863 5.9793  111.828 6.5208  21.03476       8.847193 
1 1 1 -21 -13 32 o 101.011 4.2680  1266.94    104.605  1484.10    157.719  1096.39    139.771  107.942 6.0462  92.574  6.2592  15.36763       8.702535 
1 1 1 -21 -13 33 o 78.742  4.4501  774.643    84.676   899.915    129.487  681.051    111.923  83.609  6.4321  72.693  6.4111  10.91618       9.081538 
1 1 1 -21 -13 34 o 67.896  4.6553  578.909    76.229   700.913    118.175  491.968    99.759   73.454  6.7044  61.388  6.8122  12.06554       9.557998 
1 1 1 -21 -13 35 o 95.980  5.8874  1178.78    136.447  0.0000     0.0000   1178.78    136.447  ?       ?       95.980  5.8874  0.000000       5.887369 
1 1 1 -21 -13 36 o 16.562  7.3672  -12.3562   59.531   0.0000     0.0000   -12.3562   59.531   ?       ?       16.562  7.3672  0.000000       7.367217 
1 1 1 -21 -13 37 o 59.101  6.5457  457.073    92.291   0.0000     0.0000   457.073    92.291   ?       ?       59.101  6.5457  0.000000       6.545690 
1 1 1 -21 -13 38 o 30.299  8.7524  129.321    67.954   146.017    103.134  116.511    90.335   31.774  10.989  29.076  10.269  2.697786       15.04087 
1 1 1 -21 -13 39 o 34.082  8.6780  164.374    71.954   251.043    99.530   69.483     104.144  41.424  10.013  26.030  10.564  15.39351       14.55522 
1 1 1 -21 -13 40 o 15.226  6.2538  13.390     37.050   33.760     46.710   -21.1681   60.842   18.628  7.2268  16.119  7.2859  2.508181       10.26205 
1 1 1 -21 -13 41 o 35.489  6.7832  169.660    56.282   187.710    75.710   147.363    84.145   36.321  8.7044  31.740  9.8748  4.580965       13.16349 
1 1 1 -21 -13 42 o 42.296  5.9758  235.039    59.619   300.110    80.994   158.084    88.079   47.036  7.3361  32.605  10.096  14.43058       12.48009 
1 1 1 -21 -13 43 o 30.695  7.6461  131.835    56.735   127.362    76.657   137.252    84.366   29.591  9.4545  30.501  9.9348  -0.9097710     13.71448 
1 1 1 -21 -13 44 o 28.267  10.302  114.002    91.726   109.066    197.936  115.352    103.512  30.927  13.610  28.608  10.844  2.318798       17.40170 
1 1 1 -21 -13 45 o 17.815  8.3395  -55.1804   90.147   -23.2474   203.432  -62.9832   100.559  26.666  12.497  18.586  8.7346  8.080223       15.24705 
1 1 1 -21 -13 46 o 25.254  7.7256  90.417     51.750   108.386    69.376   67.878     77.701   27.205  9.0163  23.637  9.2784  3.567028       12.93760 
1 1 1 -21 -13 47 o 23.427  8.0076  76.351     54.701   94.601     74.307   54.761     80.820   25.687  9.2864  22.651  9.2623  3.035891       13.11589 
1 1 1 -21 -13 48 o 43.677  5.9734  256.842    61.646   246.497    83.255   269.397    91.719   40.634  8.7061  42.026  9.2456  -1.391788      12.69954 
1 1 1 -21 -13 49 o 25.798  7.8576  97.874     53.613   131.479    70.481   51.727     82.593   29.120  9.0339  22.215  9.2502  6.904942       12.92969 
1 1 1 -21 -13 50 o 15.057  6.7195  -5.8548    49.952   83.470     62.336   -166.1458  83.504   23.926  8.5221  13.322  6.6235  10.60462       10.79341 
1 1 1 -21 -13 51 o 21.883  7.7809  67.471     51.943   16.385     61.785   190.605    95.923   17.915  7.7470  33.107  10.576  -15.19265      13.10974 
1 1 1 -21 -13 52 o 11.644  5.4288  -26.4889   37.585   -39.9479   41.734   31.285     86.467   11.610  5.5072  20.750  9.0667  -9.140301      10.60823 
1 1 1 -21 -13 53 o 17.152  7.2417  20.849     51.706   -19.6687   55.572   282.056    141.100  14.822  6.8004  36.627  12.843  -21.80442      14.53255 
1 1 1 -21 -13 54 o 30.722  7.5810  141.225    56.165   151.552    60.750   80.448     147.377  31.568  7.9390  25.519  11.454  6.048878       13.93630 
1 1 1 -21 -13 55 o 14.070  6.1658  0.9167     40.251   -19.7167   46.614   61.392     79.803   13.560  6.2238  22.253  9.1636  -8.693289      11.07735 
1 1 1 -21 -13 56 o 13.755  5.9719  2.9714     37.008   3.0074     41.309   2.8249     83.301   14.402  6.2806  18.951  8.5492  -4.548720      10.60821 
1 1 1 -21 -13 57 o 20.472  9.1525  19.736     93.110   -84.9884   361.221  27.190     96.367   26.642  13.328  21.051  9.3682  5.591585       16.29113 
1 1 1 -21 -13 58 o 19.695  8.8753  11.827     89.496   -529.9681  369.689  45.556     92.240   ?       ?       21.640  9.4117  0.000000       9.411654 
1 1 1 -21 -13 59 o 19.068  8.7447  -0.7702    91.771   -136.2107  373.150  7.9493     94.679   25.314  12.777  19.658  8.9651  5.655474       15.60861 
1 1 1 -21 -12 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -21 -12 2  o 44.726  5.0553  252.924    53.900   179.447    86.555   299.464    68.886   35.854  9.7099  48.337  6.0026  -12.48331      11.41548 
1 1 1 -21 -12 3  o 29.994  4.2023  113.343    29.745   112.384    50.807   113.843    36.689   29.043  7.2362  29.766  5.2730  -0.7228661     8.953618 
1 1 1 -21 -12 4  o 21.177  5.8706  58.151     31.213   60.790     44.505   55.597     43.788   22.046  7.2174  21.316  7.1651  0.7295666      10.17001 
1 1 1 -21 -12 5  o 32.818  4.5608  135.797    35.336   46.689     58.151   187.962    44.492   21.494  8.1322  38.621  4.8552  -17.12621      9.471367 
1 1 1 -21 -12 6  o 63.803  5.6682  512.802    86.836   482.926    151.938  527.295    105.823  59.060  11.007  64.145  6.9081  -5.084530      12.99554 
1 1 1 -21 -12 7  o 77.544  5.6790  754.830    106.109  711.255    182.193  777.197    130.532  72.308  10.708  78.042  6.9665  -5.733620      12.77478 
1 1 1 -21 -12 8  o 115.705 4.0011  1647.20    112.330  1462.41    176.163  1773.81    145.821  107.433 6.7929  119.589 5.0253  -12.15638      8.449735 
1 1 1 -21 -12 9  o 66.742  3.9060  549.216    62.979   470.060    102.165  597.732    79.984   60.611  7.0803  69.366  4.7814  -8.755074      8.543530 
1 1 1 -21 -12 10 o 70.846  3.8918  618.281    66.645   513.147    105.737  687.575    85.843   63.443  6.9844  74.444  4.7776  -11.00073      8.462150 
1 1 1 -21 -12 11 o 72.840  4.0599  654.059    71.469   666.162    117.532  646.958    90.026   72.515  6.7576  72.085  5.1817  0.4307480      8.515544 
1 1 1 -21 -12 12 o 46.384  4.2245  266.715    47.024   316.760    66.545   216.798    66.460   50.217  5.5544  41.016  6.9244  9.200775       8.876872 
1 1 1 -21 -12 13 o 48.553  4.1302  291.706    48.196   340.361    67.524   241.172    68.814   52.128  5.4176  43.382  6.7575  8.746693       8.661109 
1 1 1 -21 -12 14 o 32.718  5.3364  135.827    40.904   168.714    56.141   98.617     59.718   36.182  6.6394  27.590  8.2683  8.592577       10.60408 
1 1 1 -21 -12 15 o 25.765  6.4861  86.187     40.521   79.902     53.308   94.788     62.361   25.113  7.8674  27.215  8.5066  -2.102058      11.58698 
1 1 1 -21 -12 16 o 36.516  5.5747  168.961    47.827   127.456    62.993   225.454    73.491   31.090  8.2237  41.677  7.5451  -10.58671      11.16057 
1 1 1 -21 -12 17 o 41.058  7.0966  217.435    68.142   165.936    80.714   345.215    127.139  35.241  9.3028  50.460  10.715  -15.21951      14.18999 
1 1 1 -21 -12 18 o 20.060  7.7745  34.759     54.015   53.827     59.811   -49.5639   125.775  22.565  8.3048  23.072  10.448  -0.5069580     13.34623 
1 1 1 -21 -12 19 o 36.862  7.7717  178.094    67.322   149.888    77.735   262.724    134.651  33.539  9.2516  43.433  12.248  -9.893929      15.34918 
1 1 1 -21 -12 20 o 55.969  4.5512  388.424    61.271   428.778    82.975   340.036    90.860   58.397  5.9386  51.385  7.5090  7.011429       9.573487 
1 1 1 -21 -12 21 o 54.953  4.8222  375.669    63.649   344.487    84.726   416.062    96.431   51.936  6.8937  57.063  7.1196  -5.126583      9.910142 
1 1 1 -21 -12 22 o 79.461  6.0866  792.810    116.460  792.810    116.460  0.0000     0.0000   79.461  6.0866  ?       ?       0.000000       6.086585 
1 1 1 -21 -12 23 o 88.144  6.4304  979.214    136.580  979.214    136.580  0.0000     0.0000   88.144  6.4304  ?       ?       0.000000       6.430372 
1 1 1 -21 -12 24 o 70.060  5.8576  616.761    98.663   553.153    116.097  782.134    187.196  65.644  7.4190  76.369  10.370  -10.72451      12.75099 
1 1 1 -21 -12 25 o 128.252 6.7990  2082.39    210.825  1789.47    339.033  2267.08    269.203  113.407 12.530  132.378 8.4249  -18.97146      15.09912 
1 1 1 -21 -12 26 o 84.792  6.6808  913.150    136.337  1058.63    258.413  857.036    160.492  86.700  12.657  81.184  8.2626  5.516129       15.11507 
1 1 1 -21 -12 27 o 53.380  8.6303  377.839    107.965  617.723    210.644  292.364    125.738  64.803  13.818  45.477  11.413  19.32564       17.92222 
1 1 1 -21 -12 28 o 45.373  5.6558  261.444    60.915   279.197    98.137   250.317    77.694   45.379  9.2272  43.623  7.6174  1.755581       11.96518 
1 1 1 -21 -12 29 o 11.181  5.4011  -67.4560   44.372   60.249     82.143   -120.0727  52.727   24.676  9.5806  10.769  5.3388  13.90635       10.96770 
1 1 1 -21 -12 30 o 40.642  6.1171  212.851    58.453   302.086    94.776   158.071    74.257   47.411  8.5533  33.980  8.9003  13.43053       12.34401 
1 1 1 -21 -12 31 o 69.770  4.6278  608.083    77.899   718.673    120.550  528.795    102.073  74.726  6.7205  64.055  6.6650  10.67140       9.465053 
1 1 1 -21 -12 32 o 23.484  7.7743  70.264     51.586   17.725     88.768   97.054     63.388   22.076  9.4111  27.017  8.5937  -4.941811      12.74442 
1 1 1 -21 -12 33 o 127.572 4.4123  2025.35    136.578  2291.34    202.145  1801.94    185.259  134.043 6.2152  118.486 6.4684  15.55759       8.970405 
1 1 1 -21 -12 34 o 62.982  4.8780  499.823    73.963   479.472    123.175  511.298    92.495   59.296  8.8305  63.045  6.1238  -3.748096      10.74613 
1 1 1 -21 -12 35 o 66.868  6.2301  577.167    99.919   0.0000     0.0000   577.167    99.919   ?       ?       66.868  6.2301  0.000000       6.230075 
1 1 1 -21 -12 36 o 40.074  8.4441  222.042    79.517   0.0000     0.0000   222.042    79.517   ?       ?       40.074  8.4441  0.000000       8.444104 
1 1 1 -21 -12 37 o 47.000  7.3749  295.986    81.336   396.347    110.571  177.643    120.069  53.513  8.8231  34.506  11.862  19.00761       14.78334 
1 1 1 -21 -12 38 o 43.500  7.5484  255.945    76.783   321.575    106.530  184.990    110.768  47.497  9.5743  35.074  11.382  12.42245       14.87311 
1 1 1 -21 -12 39 o 33.827  6.7803  153.708    53.713   164.894    64.630   128.727    96.580   34.540  7.8852  30.214  10.624  4.326384       13.23044 
1 1 1 -21 -12 40 o 23.703  6.9227  75.646     42.304   69.866     54.036   84.799     67.994   23.228  7.9587  25.392  8.9149  -2.164022      11.95061 
1 1 1 -21 -12 41 o 24.661  7.9944  82.118     54.658   163.722    76.980   -0.8480    77.620   33.684  9.1716  19.368  8.5232  14.31545       12.52056 
1 1 1 -21 -12 42 o 8.4353  4.2655  -142.4134  42.930   -135.3677  59.572   -150.0260  61.922   11.274  5.6036  11.241  5.6073  0.3302288E-01  7.927288 
1 1 1 -21 -12 43 o 31.129  7.3059  134.094    54.235   47.586     73.979   234.608    79.744   22.184  8.9381  40.777  8.3409  -18.59247      12.22539 
1 1 1 -21 -12 44 o 25.764  10.297  78.600     97.313   -77.4808   210.370  121.090    109.763  25.984  12.337  29.190  11.142  -3.205421      16.62341 
1 1 1 -21 -12 45 o 19.228  8.7890  -25.7340   91.664   -181.3437  207.147  12.156     102.217  23.369  11.378  21.974  9.7198  1.395533       14.96472 
1 1 1 -21 -12 46 o 25.388  7.7749  91.459     52.397   94.076     70.669   88.265     78.085   25.757  9.0846  25.390  9.4613  0.3671055      13.11664 
1 1 1 -21 -12 47 o 21.129  7.6763  57.391     50.865   105.143    68.101   -2.8618    76.497   26.713  8.9358  18.619  8.3120  8.093357       12.20398 
1 1 1 -21 -12 48 o 15.306  6.8172  -6.5153    51.143   -38.9483   68.765   33.632     76.508   15.802  7.3594  20.735  8.7846  -4.933212      11.45994 
1 1 1 -21 -12 49 o 30.235  7.6535  133.793    56.200   86.815     74.409   196.183    85.751   24.632  9.2246  35.007  9.7396  -10.37488      13.41468 
1 1 1 -21 -12 50 o 62.087  5.0439  506.206    75.329   470.788    101.196  550.222    112.811  57.428  7.4370  61.814  7.6875  -4.385494      10.69613 
1 1 1 -21 -12 51 o 36.099  7.0901  187.235    59.887   141.299    79.153   248.738    91.587   29.373  9.6256  39.169  9.6900  -9.796211      13.65831 
1 1 1 -21 -12 52 o 13.979  6.3735  -16.2598   47.814   2.0103     61.835   -43.4270   75.403   16.914  7.5170  16.079  7.5587  0.8353024      10.66012 
1 1 1 -21 -12 53 o 31.993  12.309  205.969    134.633  0.0000     0.0000   205.969    134.633  ?       ?       31.993  12.309  0.000000       12.30891 
1 1 1 -21 -12 54 o 28.764  8.6182  130.382    64.885   85.377     73.561   288.114    137.715  23.983  9.1290  37.452  12.706  -13.46904      15.64560 
1 1 1 -21 -12 55 o 13.124  6.0061  -17.8797   42.975   -70.5718   49.794   135.952    85.081   11.564  5.6186  28.466  9.9736  -16.90225      11.44731 
1 1 1 -21 -12 56 o 30.169  7.0901  132.749    51.023   83.241     61.957   237.089    89.945   23.661  8.4889  37.970  9.7211  -14.30823      12.90588 
1 1 1 -21 -12 57 o 26.693  13.347  -83.2439   360.164  -83.2439   360.164  0.0000     0.0000   26.693  13.347  ?       ?       0.000000       13.34694 
1 1 1 -21 -12 58 o 27.908  10.588  138.332    98.738   -442.0905  376.150  181.285    102.326  23.652  12.027  31.188  10.937  -7.535595      16.25606 
1 1 1 -21 -12 59 o 25.656  10.467  112.622    102.930  318.433    384.408  96.726     106.831  29.729  14.679  24.714  10.420  5.014429       18.00159 
1 1 1 -21 -11 1  o 46.544  4.3585  270.804    48.649   0.0000     0.0000   270.804    48.649   ?       ?       46.544  4.3585  0.000000       4.358456 
1 1 1 -21 -11 2  o 16.919  5.6070  34.490     26.830   41.022     41.935   29.963     34.910   19.280  6.9752  17.101  6.3353  2.178482       9.422853 
1 1 1 -21 -11 3  o 44.611  3.7635  246.657    40.358   199.151    67.911   272.594    50.180   38.842  7.4769  46.715  4.4820  -7.872696      8.717409 
1 1 1 -21 -11 4  o 97.287  3.8367  1164.90    90.568   944.763    142.064  1315.63    117.554  86.039  6.8620  103.021 4.7027  -16.98118      8.318820 
1 1 1 -21 -11 5  o 22.506  5.5880  65.668     30.375   88.501     49.696   52.050     38.378   25.996  7.4777  20.552  6.7009  5.443844       10.04084 
1 1 1 -21 -11 6  o 37.690  7.3076  185.867    64.417   -40.0831   117.257  283.535    77.092   22.422  10.127  46.893  6.9890  -24.47033      12.30418 
1 1 1 -21 -11 7  o 47.490  6.5228  288.125    73.177   166.373    130.682  343.740    88.323   35.563  12.366  51.658  7.2459  -16.09448      14.33272 
1 1 1 -21 -11 8  o 17.406  6.2068  33.036     33.074   41.411     51.516   27.163     43.139   20.431  7.6707  17.909  6.9458  2.521614       10.34818 
1 1 1 -21 -11 9  o 29.788  5.7893  113.993    40.336   117.835    65.780   111.677    51.064   29.909  8.6030  29.190  7.2439  0.7194366      11.24662 
1 1 1 -21 -11 10 o 81.690  3.6857  817.915    73.055   817.053    105.680  818.703    101.104  81.007  5.4077  81.182  5.1595  -0.1750031     7.474162 
1 1 1 -21 -11 11 o 104.209 3.7694  1331.21    95.309   1349.07    137.811  1314.83    131.955  104.178 5.4710  102.920 5.3020  1.258812       7.618602 
1 1 1 -21 -11 12 o 33.332  5.3762  140.831    42.002   118.898    58.080   164.878    60.814   30.094  7.8660  35.599  7.2858  -5.505041      10.72176 
1 1 1 -21 -11 13 o 23.710  6.8403  72.111     41.530   94.981     55.727   43.543     62.283   27.097  7.9544  21.816  8.3771  5.281918       11.55197 
1 1 1 -21 -11 14 o 100.438 3.8833  1236.67    94.637   1199.42    134.085  1273.65    133.590  98.195  5.6515  101.281 5.4562  -3.085815      7.855503 
1 1 1 -21 -11 15 o 65.979  4.0923  536.198    65.191   467.451    89.550   613.708    95.086   61.005  6.1329  70.150  5.6339  -9.144981      8.327828 
1 1 1 -21 -11 16 o 122.976 4.0714  1855.63    121.485  1721.97    171.474  1990.33    172.139  117.533 6.0331  126.727 5.5982  -9.194221      8.230308 
1 1 1 -21 -11 17 o 66.257  5.7372  548.441    91.325   483.905    110.939  684.115    160.855  61.539  7.5906  72.444  9.3705  -10.90583      12.05920 
1 1 1 -21 -11 18 o 107.332 5.6826  1432.70    147.466  1502.45    190.990  1329.72    232.053  109.091 7.2568  101.159 9.5676  7.931801       12.00833 
1 1 1 -21 -11 19 o 23.966  9.1163  55.805     73.325   59.201     87.676   47.903     133.745  25.467  9.8952  28.451  11.803  -2.984108      15.40197 
1 1 1 -21 -11 20 o 31.664  7.0171  130.534    52.496   143.989    74.290   117.115    74.190   32.948  9.0261  30.029  9.2607  2.918663       12.93176 
1 1 1 -21 -11 21 o 102.526 6.0470  1313.70    149.765  1313.70    149.765  0.0000     0.0000   102.526 6.0470  ?       ?       0.000000       6.047009 
1 1 1 -21 -11 22 o 81.448  6.0973  831.661    119.624  831.661    119.624  0.0000     0.0000   81.448  6.0973  ?       ?       0.000000       6.097288 
1 1 1 -21 -11 23 o 26.814  9.8226  80.537     83.531   80.537     83.531   0.0000     0.0000   26.814  9.8226  ?       ?       0.000000       9.822553 
1 1 1 -21 -11 24 o 31.777  9.2217  134.355    75.280   168.347    86.908   32.205     150.656  35.309  9.7985  28.696  12.248  6.612368       15.68493 
1 1 1 -21 -11 25 o 47.805  8.8884  303.528    99.304   402.830    212.053  275.633    112.390  51.558  15.610  44.810  10.517  6.747879       18.82243 
1 1 1 -21 -11 26 o 29.505  10.171  109.575    88.307   130.381    201.782  104.647    98.212   35.960  14.662  29.520  10.675  6.440010       18.13658 
1 1 1 -21 -11 27 o 27.436  9.9804  88.225     86.022   -165.6621  200.779  145.306    95.202   25.612  12.129  32.894  10.539  -7.281996      16.06789 
1 1 1 -21 -11 28 o 110.115 4.2596  1497.42    113.810  1743.55    168.544  1291.13    154.300  117.876 5.8929  101.008 6.3277  16.86757       8.646695 
1 1 1 -21 -11 29 o 45.866  5.7205  267.540    62.279   285.272    100.432  256.461    79.386   45.776  9.3579  44.104  7.6983  1.671638       12.11752 
1 1 1 -21 -11 30 o 16.941  7.1884  6.2938     51.361   99.295     86.958   -43.5309   63.649   28.227  10.064  15.576  7.1938  12.65095       12.37095 
1 1 1 -21 -11 31 o 58.295  4.9979  427.103    70.011   526.117    111.295  362.267    90.062   63.537  7.3552  52.660  7.2400  10.87682       10.32067 
1 1 1 -21 -11 32 o 109.854 4.2991  1497.43    114.592  1626.17    168.611  1386.93    156.214  113.007 6.1725  104.319 6.1994  8.687851       8.748275 
1 1 1 -21 -11 33 o 39.825  6.6784  208.065    62.250   149.102    106.656  238.529    76.662   32.721  11.182  42.184  7.7764  -9.462624      13.61979 
1 1 1 -21 -11 34 o 27.359  9.2403  99.109     72.829   0.0000     0.0000   99.109     72.829   ?       ?       27.359  9.2403  0.000000       9.240267 
1 1 1 -21 -11 35 o 65.971  6.4594  563.914    102.070  0.0000     0.0000   563.914    102.070  ?       ?       65.971  6.4594  0.000000       6.459392 
1 1 1 -21 -11 36 o 61.658  5.9943  489.822    88.546   869.785    247.404  434.002    94.827   73.635  14.363  57.446  6.9441  16.18886       15.95352 
1 1 1 -21 -11 37 o 44.501  7.7781  268.319    80.929   381.465    109.619  132.765    119.983  52.433  8.9366  31.215  11.709  21.21871       14.72976 
1 1 1 -21 -11 38 o 51.686  5.4423  342.650    67.227   349.201    81.324   328.512    119.471  51.514  6.6623  47.217  10.678  4.297112       12.58613 
1 1 1 -21 -11 39 o 32.021  6.7891  138.017    51.113   125.097    60.198   171.390    96.753   29.995  8.0870  34.063  10.587  -4.067982      13.32260 
1 1 1 -21 -11 40 o 14.891  6.6307  -11.5497   48.355   -29.6165   67.767   7.1910     69.019   16.613  7.5794  18.966  8.1948  -2.353245      11.16250 
1 1 1 -21 -11 41 o 25.757  7.8320  90.981     53.297   170.866    71.164   -11.0652   80.432   34.768  8.5055  19.113  8.5285  15.65461       12.04486 
1 1 1 -21 -11 42 o 19.823  7.6917  39.958     52.920   48.643     72.128   29.832     77.884   22.218  8.8698  21.299  8.9344  0.9194469      12.58953 
1 1 1 -21 -11 43 o 27.657  10.534  101.725    97.995   214.195    210.903  70.757     110.667  35.839  14.841  26.110  10.776  9.729473       18.34024 
1 1 1 -21 -11 44 o 35.138  10.979  193.740    103.886  0.0009     220.715  248.877    117.744  28.393  13.210  39.316  11.568  -10.92336      17.55974 
1 1 1 -21 -11 45 o 32.541  10.690  165.577    97.603   159.356    224.595  167.026    108.371  32.865  14.479  32.448  11.262  0.4165726      18.34358 
1 1 1 -21 -11 46 f 27.367  7.8125  107.327    54.442   129.054    72.751   79.673     82.075   29.371  9.1891  24.810  9.5922  4.561016       13.28349 
1 1 1 -21 -11 47 o 32.383  7.1791  147.864    54.928   129.891    79.139   164.571    76.299   29.116  9.6288  32.846  9.2045  -3.730129      13.32059 
1 1 1 -21 -11 48 o 36.677  6.3599  184.348    54.548   254.852    77.373   114.678    76.913   42.077  7.8677  27.446  9.4903  14.63122       12.32741 
1 1 1 -21 -11 49 o 22.371  7.5177  70.253     48.204   73.836     68.397   66.718     67.947   23.289  8.8176  22.627  8.7334  0.6618099      12.41061 
1 1 1 -21 -11 50 f 31.620  7.4762  146.102    56.456   133.276    76.880   161.114    83.174   28.866  9.4877  31.371  9.8271  -2.504765      13.65974 
1 1 1 -21 -11 51 o 60.598  5.0716  484.393    73.884   507.932    103.819  460.238    105.171  59.589  7.3353  55.974  7.9686  3.615047       10.83076 
1 1 1 -21 -11 52 o 20.804  9.6008  -6.1455    113.040  122.501    334.956  -22.6804   120.085  29.307  14.313  20.653  9.6544  8.653673       17.26480 
1 1 1 -21 -11 53 o 22.986  8.6639  75.719     65.845   43.680     77.313   160.327    125.637  20.947  8.8500  29.446  11.722  -8.498846      14.68734 
1 1 1 -21 -11 54 o 57.785  5.2947  445.259    73.411   456.744    100.813  432.293    107.111  55.995  7.6177  53.352  8.5638  2.643593       11.46156 
1 1 1 -21 -11 55 o 44.787  5.9244  274.213    62.802   286.322    85.659   260.138    92.349   43.442  8.4305  40.067  9.6204  3.374809       12.79165 
1 1 1 -21 -11 56 o 26.547  9.6991  113.418    81.368   183.028    370.112  109.883    83.408   30.190  14.807  26.227  9.7774  3.962507       17.74397 
1 1 1 -21 -11 57 o 15.108  7.3961  -120.6586  91.033   -401.2542  361.237  -101.6307  94.069   23.986  12.154  15.935  7.7379  8.050746       14.40849 
1 1 1 -21 -11 58 o 32.531  11.318  203.564    109.465  394.919    357.303  183.744    114.994  32.048  15.443  30.709  11.474  1.339352       19.23888 
1 1 1 -21 -11 59 o 21.511  9.3977  48.314     92.863   -358.3101  376.584  74.641     95.822   23.601  12.004  23.134  9.8176  0.4672146      15.50724 
1 1 1 -21 -10 1  o 82.652  6.5226  871.339    129.746  0.0000     0.0000   871.339    129.746  ?       ?       82.652  6.5226  0.000000       6.522588 
1 1 1 -21 -10 2  o 113.995 4.3008  1606.19    118.960  1266.14    224.968  1738.18    140.158  97.310  9.6555  118.271 4.8840  -20.96142      10.82042 
1 1 1 -21 -10 3  o 94.371  3.7185  1094.80    85.148   967.261    135.784  1177.45    109.310  87.354  6.4519  97.523  4.6195  -10.16887      7.935136 
1 1 1 -21 -10 4  o 26.412  5.2124  89.552     32.218   76.870     49.591   98.814     42.381   24.478  7.5751  27.499  6.4612  -3.021208      9.956396 
1 1 1 -21 -10 5  o 60.426  5.9694  460.548    86.378   350.280    147.439  518.174    106.584  49.707  12.293  63.684  7.0140  -13.97652      14.15326 
1 1 1 -21 -10 6  o 90.735  5.7006  1029.09    124.866  790.190    209.026  1161.65    155.700  75.956  11.719  95.876  6.7357  -19.91945      13.51643 
1 1 1 -21 -10 7  o 19.735  6.7876  45.254     39.318   30.506     96.590   48.183     43.046   24.153  10.026  20.440  7.0979  3.713419       12.28407 
1 1 1 -21 -10 8  o 65.923  3.5619  533.769    56.764   446.603    80.046   621.950    80.511   59.735  5.5875  70.864  4.7091  -11.12931      7.307291 
1 1 1 -21 -10 9  o 91.720  3.6180  1030.29    80.519   979.304    115.991  1077.70    111.864  88.755  5.4119  93.299  4.9592  -4.544365      7.340398 
1 1 1 -21 -10 10 o 105.434 4.1866  1365.20    107.104  1366.58    170.353  1364.30    137.730  104.274 6.7696  104.834 5.4332  -0.5603104     8.680283 
1 1 1 -21 -10 11 o 55.022  4.2709  373.998    56.572   340.127    78.089   411.410    82.070   51.891  6.3334  57.246  5.9975  -5.354507      8.722526 
1 1 1 -21 -10 12 o 50.661  4.3706  317.582    53.199   309.057    73.728   326.841    76.837   49.460  6.2854  50.857  6.3661  -1.397377      8.946154 
1 1 1 -21 -10 13 o 90.995  3.8943  1014.55    85.983   878.846    120.495  1155.34    122.734  83.944  5.9544  96.578  5.2573  -12.63406      7.943186 
1 1 1 -21 -10 14 o 40.091  5.2579  201.682    49.914   215.451    68.071   185.669    73.410   40.941  7.1104  37.620  8.2677  3.321190       10.90470 
1 1 1 -21 -10 15 o 96.235  4.0203  1135.30    93.876   1198.91    134.834  1075.46    130.779  98.237  5.6809  92.968  5.8269  5.268661       8.137938 
1 1 1 -21 -10 16 o 92.156  4.0906  1041.47    91.469   1063.78    130.828  1020.13    127.935  92.446  5.8628  90.525  5.8558  1.920494       8.286309 
1 1 1 -21 -10 17 o 50.286  7.5801  324.424    89.616   366.461    110.639  244.230    152.811  52.993  8.9214  42.249  13.333  10.74451       16.04235 
1 1 1 -21 -10 18 o 95.530  5.7538  1135.06    132.749  1050.28    167.885  1276.49    216.843  91.014  7.6738  99.571  9.0749  -8.557800      11.88450 
1 1 1 -21 -10 19 o 57.008  6.9625  412.430    94.307   484.643    116.764  276.935    159.943  61.445  8.0233  44.582  13.570  16.86295       15.76463 
1 1 1 -21 -10 20 o 51.777  7.2287  342.555    88.338   342.555    88.338   0.0000     0.0000   51.777  7.2287  ?       ?       0.000000       7.228704 
1 1 1 -21 -10 21 o 103.342 6.1170  1333.93    152.700  1333.93    152.700  0.0000     0.0000   103.342 6.1170  ?       ?       0.000000       6.116997 
1 1 1 -21 -10 22 o 91.394  5.9626  1043.54    131.501  1043.54    131.501  0.0000     0.0000   91.394  5.9626  ?       ?       0.000000       5.962553 
1 1 1 -21 -10 23 o 71.454  5.5059  637.036    94.725   655.176    113.991  596.558    170.281  72.046  6.5939  66.557  10.923  5.489517       12.75911 
1 1 1 -21 -10 24 o 19.800  7.0851  43.092     43.133   93.562     71.786   14.576     53.959   27.395  9.1743  18.157  7.5116  9.237762       11.85715 
1 1 1 -21 -10 25 o 96.608  6.3431  1174.26    147.863  1285.44    276.968  1129.94    174.868  96.840  12.048  93.948  7.7400  2.891998       14.31973 
1 1 1 -21 -10 26 o 64.024  7.4015  526.675    112.863  633.862    233.104  493.854    128.990  65.228  15.036  61.210  8.9493  4.017536       17.49811 
1 1 1 -21 -10 27 f 48.594  8.9438  315.000    101.570  123.793    220.263  366.639    114.466  36.365  15.121  52.304  9.3632  -15.93937      17.78527 
1 1 1 -21 -10 28 o 108.998 4.2181  1466.06    111.556  1612.12    163.407  1338.57    152.669  113.205 5.9701  103.025 6.1350  10.17979       8.560370 
1 1 1 -21 -10 29 o 135.504 4.4263  2272.18    145.532  2515.58    212.293  2056.38    199.892  141.256 6.1939  127.337 6.4911  13.91923       8.972138 
1 1 1 -21 -10 30 o 103.109 4.2210  1314.71    105.604  1505.35    154.884  1149.08    144.362  109.235 5.8651  95.123  6.2902  14.11162       8.600286 
1 1 1 -21 -10 31 o 76.451  4.3869  726.943    81.037   764.083    120.211  696.005    109.715  77.296  6.4689  73.921  6.1734  3.375092       8.941958 
1 1 1 -21 -10 32 o 31.486  7.2030  132.368    53.837   188.680    89.538   100.481    67.377   36.665  9.8532  27.528  8.8709  9.136950       13.25817 
1 1 1 -21 -10 33 o 79.490  5.8684  804.184    112.387  0.0000     0.0000   804.184    112.387  ?       ?       79.490  5.8684  0.000000       5.868412 
1 1 1 -21 -10 34 o 55.079  6.8088  395.788    89.058   0.0000     0.0000   395.788    89.058   ?       ?       55.079  6.8088  0.000000       6.808834 
1 1 1 -21 -10 35 o 73.914  6.0973  701.728    108.377  0.0000     0.0000   701.728    108.377  ?       ?       73.914  6.0973  0.000000       6.097343 
1 1 1 -21 -10 36 f 54.995  5.2852  385.164    69.657   493.820    110.209  312.883    89.888   60.875  7.6288  48.095  7.9824  12.77959       11.04164 
1 1 1 -21 -10 37 o 22.799  7.4551  67.576     47.490   100.652    56.219   -14.8334   88.738   27.133  7.9965  19.983  8.9343  7.150026       11.99019 
1 1 1 -21 -10 38 o 41.731  6.1207  227.632    60.133   189.154    72.326   313.785    108.224  36.926  8.2770  46.766  9.8486  -9.840454      12.86483 
1 1 1 -21 -10 39 o 34.351  6.1523  155.729    49.397   183.519    64.778   117.116    76.357   36.698  7.5274  28.949  9.4525  7.748718       12.08350 
1 1 1 -21 -10 40 o 39.896  6.2936  209.855    58.905   160.920    79.615   269.043    87.559   33.410  9.4164  43.958  8.5167  -10.54785      12.69660 
1 1 1 -21 -10 41 o 49.774  5.4772  319.442    65.055   238.154    91.069   404.145    92.962   40.625  9.4216  54.992  7.1352  -14.36631      11.81857 
1 1 1 -21 -10 42 o 17.403  7.1376  20.205     48.175   -34.9387   70.531   68.428     65.957   16.634  7.6424  23.570  8.7128  -6.935947      11.58959 
1 1 1 -21 -10 43 o 22.872  8.6267  62.416     65.308   -179.1376  166.745  106.184    70.978   21.240  10.311  27.441  9.1210  -6.201349      13.76634 
1 1 1 -21 -10 44 o 17.104  7.5473  -3.7671    61.260   -65.5060   165.304  6.0618     65.956   23.783  11.184  18.318  7.9627  5.464724       13.72891 
1 1 1 -21 -10 45 o 35.813  6.3862  173.238    53.459   184.203    75.981   162.490    75.230   35.407  8.8643  33.085  9.0910  2.322701       12.69731 
1 1 1 -21 -10 46 o 52.854  5.0048  361.455    63.420   466.136    90.157   258.921    89.227   58.960  6.4050  41.809  9.0574  17.15123       11.09331 
1 1 1 -21 -10 47 o 39.142  5.9271  205.503    54.531   244.827    78.699   169.187    75.629   41.150  8.1701  33.382  9.0913  7.768295       12.22305 
1 1 1 -21 -10 48 o 14.047  6.2993  -10.3927   44.467   -50.3742   66.980   21.117     59.462   15.055  7.0917  18.323  7.7524  -3.267609      10.50679 
1 1 1 -21 -10 49 o 9.7627  4.8016  -74.6609   39.787   -31.6011   58.951   -110.6839  53.920   14.821  6.8724  10.928  5.4143  3.892452       8.749018 
1 1 1 -21 -10 50 f 16.161  6.9802  8.9527     50.042   10.171     66.812   7.3966     75.525   18.095  7.9364  18.755  8.3226  -0.6605301     11.50009 
1 1 1 -21 -10 51 o 45.940  8.4207  317.543    90.405   61.200     323.445  339.267    94.158   28.676  14.018  47.439  8.4919  -18.76312      16.38930 
1 1 1 -21 -10 52 o 41.644  13.451  364.346    154.835  0.0000     0.0000   364.346    154.835  ?       ?       41.644  13.451  0.000000       13.45068 
1 1 1 -21 -10 53 o 16.879  7.4181  6.6343     58.632   -7.4535    66.822   53.772     122.230  16.901  7.6376  23.791  10.571  -6.889929      13.04146 
1 1 1 -21 -10 54 o 19.876  7.6578  49.210     52.167   43.494     68.884   56.896     79.883   20.437  8.4736  22.046  9.1316  -1.608934      12.45746 
1 1 1 -21 -10 55 o 22.545  7.9658  73.037     54.357   38.678     72.452   117.280    82.215   20.352  8.5813  26.963  9.7649  -6.610867      12.99970 
1 1 1 -21 -10 56 o 21.300  9.6338  15.933     106.581  456.043    368.034  -24.3559   111.352  34.404  16.330  19.998  9.3308  14.40585       18.80746 
1 1 1 -21 -10 57 o 17.113  8.1742  -66.8622   95.230   464.372    372.372  -104.0378  98.506   33.794  16.148  16.283  7.9096  17.51026       17.98113 
1 1 1 -21 -10 58 o 18.204  8.5758  -37.8150   97.982   -171.3585  369.633  -27.7220   101.618  25.447  12.829  18.856  8.8355  6.590605       15.57680 
1 1 1 -21 -9  1  o 43.013  4.9462  232.717    50.683   189.232    79.325   262.713    65.884   37.369  8.8796  45.321  6.1500  -7.951691      10.80141 
1 1 1 -21 -9  2  f 31.362  4.1853  123.314    31.053   58.964     51.057   161.094    39.121   22.298  7.7310  35.807  4.6098  -13.50898      9.001058 
1 1 1 -21 -9  3  o 55.146  3.9848  376.000    52.961   290.423    101.123  408.344    62.168   46.502  9.2873  57.334  4.5051  -10.83228      10.32226 
1 1 1 -21 -9  4  o 37.536  4.3811  175.915    39.150   191.799    61.182   164.901    50.947   38.514  6.7954  35.867  6.0706  2.647141       9.112088 
1 1 1 -21 -9  5  o 48.660  6.8699  303.167    78.856   293.049    128.682  309.252    99.789   45.923  11.557  48.381  8.8256  -2.458149      14.54171 
1 1 1 -21 -9  6  o 132.856 6.0738  2201.36    195.796  2062.17    312.980  2290.86    250.972  125.005 10.413  134.203 7.7401  -9.198410      12.97489 
1 1 1 -21 -9  7  o 127.567 3.8646  1995.66    119.621  1858.35    172.521  2122.79    166.006  122.275 5.8149  130.989 5.2231  -8.713524      7.816214 
1 1 1 -21 -9  8  o 89.550  3.6166  981.772    78.584   890.818    112.340  1068.92    109.967  84.634  5.5003  92.971  4.8920  -8.336639      7.361028 
1 1 1 -21 -9  9  o 21.473  5.7265  59.169     30.384   76.465     36.238   18.228     55.754   24.334  6.1382  18.778  7.6874  5.556227       9.837305 
1 1 1 -21 -9  10 o 52.434  5.3242  343.005    66.799   324.487    76.951   399.622    134.552  50.675  6.4010  54.694  10.521  -4.018875      12.31501 
1 1 1 -21 -9  11 o 64.252  4.1201  508.264    63.895   545.017    89.008   469.187    91.778   66.146  5.5983  61.129  6.2767  5.016869       8.410593 
1 1 1 -21 -9  12 o 27.682  7.1711  99.482     48.554   64.622     70.355   131.183    67.092   24.601  9.0142  31.627  8.5419  -7.025675      12.41852 
1 1 1 -21 -9  13 o 11.809  5.6728  -67.6752   47.312   -377.1943  115.098  -4.7415    51.900   13.905  7.0270  16.365  7.0885  -2.460340      9.981289 
1 1 1 -21 -9  14 o 98.871  4.1024  1198.17    98.417   1334.67    140.867  1068.01    137.558  103.746 5.6168  92.566  6.1596  11.18005       8.336070 
1 1 1 -21 -9  15 o 10.023  4.9133  -79.4366   40.596   -178.5920  62.011   -5.0675    53.704   10.809  5.4236  16.628  7.2067  -5.819623      9.019531 
1 1 1 -21 -9  16 o 98.284  5.0743  1193.41    120.597  1193.29    143.689  1193.70    221.816  97.898  6.0791  96.096  9.6432  1.802078       11.39942 
1 1 1 -21 -9  17 o 22.270  8.7145  40.919     68.370   110.249    84.744   -88.3393   115.712  29.814  9.9680  20.647  9.5927  9.166903       13.83407 
1 1 1 -21 -9  18 o 32.454  8.9093  138.472    72.292   188.778    87.625   31.254     127.924  37.676  9.5674  27.234  11.439  10.44111       14.91232 
1 1 1 -21 -9  19 o 51.865  6.7273  340.818    82.666   340.818    82.666   0.0000     0.0000   51.865  6.7273  ?       ?       0.000000       6.727346 
1 1 1 -21 -9  20 f 57.790  6.2861  420.122    86.724   420.122    86.724   0.0000     0.0000   57.790  6.2861  ?       ?       0.000000       6.286136 
1 1 1 -21 -9  21 o 26.453  8.9265  85.173     67.966   85.173     67.966   0.0000     0.0000   26.453  8.9265  ?       ?       0.000000       8.926487 
1 1 1 -21 -9  22 o 100.338 4.1964  1236.47    102.166  1195.69    148.563  1273.06    140.725  97.743  6.2977  101.118 5.7594  -3.375237      8.534167 
1 1 1 -21 -9  23 o 134.679 5.1466  2242.96    168.183  2350.64    206.830  2032.81    288.944  137.283 6.2091  125.026 9.5979  12.25710       11.43122 
1 1 1 -21 -9  24 o 138.687 6.4136  2406.68    215.825  2930.21    373.110  2143.41    264.583  149.138 10.375  129.185 8.4881  19.95340       13.40494 
1 1 1 -21 -9  25 o 41.809  8.1420  229.857    79.626   198.994    210.530  235.008    86.015   39.993  15.391  42.078  8.7116  -2.085052      17.68512 
1 1 1 -21 -9  26 o 32.350  9.2120  139.992    75.790   104.310    206.979  145.517    81.447   35.214  14.652  32.940  9.6013  2.274178       17.51730 
1 1 1 -21 -9  27 o 71.438  4.2940  631.476    74.086   779.234    113.747  522.610    97.636   78.681  6.0034  64.209  6.3501  14.47206       8.738650 
1 1 1 -21 -9  28 o 38.867  5.7965  192.782    52.993   246.229    86.451   160.612    67.072   42.935  8.5982  34.684  8.1141  8.251789       11.82234 
1 1 1 -21 -9  29 o 62.854  4.5587  491.694    69.052   573.988    107.322  433.560    90.203   67.006  6.6904  58.246  6.4929  8.759850       9.323098 
1 1 1 -21 -9  30 o 49.168  5.1850  304.730    60.925   448.600    96.429   209.143    78.600   59.007  6.8633  39.393  8.4748  19.61429       10.90534 
1 1 1 -21 -9  31 o 63.087  4.6875  497.375    71.241   605.714    119.906  438.264    88.569   68.278  7.3537  58.491  6.3423  9.786701       9.710885 
1 1 1 -21 -9  32 o 67.443  5.7721  577.557    93.547   0.0000     0.0000   577.557    93.547   ?       ?       67.443  5.7721  0.000000       5.772068 
1 1 1 -21 -9  33 o 44.399  6.8192  257.995    71.114   0.0000     0.0000   257.995    71.114   ?       ?       44.399  6.8192  0.000000       6.819184 
1 1 1 -21 -9  34 o 46.246  6.5885  279.000    71.841   551.946    242.833  252.820    75.208   56.230  16.633  43.613  7.3695  12.61691       18.19222 
1 1 1 -21 -9  35 o 44.432  5.5983  253.448    59.016   265.604    101.314  247.205    72.606   43.220  9.8767  43.139  7.1895  0.8144760E-01  12.21632 
1 1 1 -21 -9  36 o 31.035  5.9433  126.451    43.125   133.423    58.910   118.401    63.303   31.215  7.8000  29.286  8.4440  1.928774       11.49528 
1 1 1 -21 -9  37 o 40.804  6.1015  217.291    58.554   160.166    69.629   355.255    108.208  33.894  8.4858  50.436  9.1802  -16.54239      12.50138 
1 1 1 -21 -9  38 o 72.683  5.2733  672.055    92.367   634.245    114.290  743.256    156.839  69.501  6.8671  73.388  8.9962  -3.887009      11.31762 
1 1 1 -21 -9  39 o 62.644  4.1768  491.520    63.124   464.372    88.396   519.771    90.171   59.786  6.1829  63.446  5.9260  -3.660084      8.564186 
1 1 1 -21 -9  40 o 76.449  4.3886  734.042    81.066   794.776    115.817  675.706    113.507  78.307  6.1448  71.833  6.5856  6.474083       9.007148 
1 1 1 -21 -9  41 o 96.757  4.2139  1170.89    98.929   1167.15    141.153  1174.50    138.693  94.832  6.1679  95.267  6.0311  -0.4347610     8.626530 
1 1 1 -21 -9  42 o 86.321  4.2740  934.136    89.518   980.675    127.821  889.335    125.410  86.831  6.1057  82.480  6.3144  4.350655       8.783584 
1 1 1 -21 -9  43 o 43.548  8.6045  268.756    87.695   43.479     189.838  329.870    98.877   28.727  12.938  48.227  8.7729  -19.50002      15.63149 
1 1 1 -21 -9  44 o 32.791  9.5512  160.338    80.624   230.400    183.955  143.680    89.698   36.160  14.250  30.912  10.252  5.248711       17.55492 
1 1 1 -21 -9  45 o 32.121  7.0275  142.981    53.249   206.711    74.932   77.967     75.683   37.903  8.3711  24.554  9.2805  13.34932       12.49812 
1 1 1 -21 -9  46 o 24.044  7.4583  80.895     48.041   88.814     70.441   74.009     65.689   25.223  9.0512  23.632  8.7024  1.590136       12.55618 
1 1 1 -21 -9  47 o 30.738  7.2852  134.185    53.505   174.803    79.086   99.901     72.658   33.741  9.3414  26.169  9.2135  7.571394       13.12061 
1 1 1 -21 -9  48 o 15.569  6.7389  5.1057     46.841   23.341     68.914   -10.5525   63.859   19.383  8.2784  16.680  7.5087  2.702602       11.17640 
1 1 1 -21 -9  49 f 12.563  5.9602  -46.8063   48.920   9.8895     67.788   -108.4254  70.670   18.269  8.0039  13.342  6.5282  4.927331       10.32863 
1 1 1 -21 -9  50 o 40.654  6.7118  231.436    63.896   204.960    89.857   258.518    90.876   35.245  10.028  40.470  9.4294  -5.225212      13.76527 
1 1 1 -21 -9  51 o 24.663  8.0555  90.818     55.453   68.664     72.926   121.190    85.385   22.725  8.9669  27.358  9.9447  -4.632275      13.39040 
1 1 1 -21 -9  52 o 24.850  8.6941  93.811     64.640   125.256    75.954   11.215     123.100  27.849  9.4363  22.127  10.140  5.722410       13.85174 
1 1 1 -21 -9  53 o 45.288  7.4915  297.676    79.444   322.067    92.769   230.590    153.854  45.943  8.6390  33.042  13.029  12.90085       15.63252 
1 1 1 -21 -9  54 o 19.727  7.6803  47.016     52.900   48.203     69.696   45.404     81.251   20.883  8.5773  21.382  9.0554  -0.4992886     12.47274 
1 1 1 -21 -9  55 o 14.007  6.3931  -17.3520   48.281   -46.4422   61.277   30.274     78.405   14.287  6.7460  20.235  8.7388  -5.948410      11.03972 
1 1 1 -21 -9  56 o 16.251  7.8198  -82.9989   90.828   -166.7665  359.176  -77.2762   93.880   26.218  13.142  16.730  8.0247  9.487806       15.39792 
1 1 1 -21 -9  57 o 19.876  9.2114  -13.1632   105.698  145.295    308.091  -34.3015   112.527  28.957  14.048  19.581  9.2140  9.376001       16.79995 
1 1 1 -21 -9  58 o 27.952  11.292  146.352    118.431  356.317    325.836  114.392    127.125  31.530  15.077  26.154  11.209  5.376501       18.78729 
1 1 1 -21 -8  1  o 74.400  3.8996  682.799    70.153   546.512    133.794  734.475    82.386   64.385  8.7942  76.990  4.4288  -12.60439      9.846444 
1 1 1 -21 -8  2  o 71.312  3.6193  625.572    62.421   491.014    99.088   714.104    80.375   62.104  6.6807  75.968  4.3790  -13.86324      7.987915 
1 1 1 -21 -8  3  o 67.568  3.7204  561.843    60.760   509.004    97.985   594.854    77.448   63.398  6.4600  69.265  4.6349  -5.867149      7.950715 
1 1 1 -21 -8  4  o 34.004  6.9444  150.357    55.359   154.642    102.292  148.581    65.833   34.143  10.923  33.499  8.1720  0.6439705      13.64146 
1 1 1 -21 -8  5  o 25.765  8.6030  81.703     63.122   84.524     101.000  79.894     80.859   28.340  10.719  26.639  9.6784  1.700918       14.44164 
1 1 1 -21 -8  6  o 70.719  5.7555  624.715    97.904   542.345    166.716  668.075    120.959  63.376  11.254  72.685  6.9430  -9.308998      13.22318 
1 1 1 -21 -8  7  o 64.012  3.5941  502.997    55.597   494.709    78.052   511.534    79.215   63.097  5.1429  64.171  5.1304  -1.074081      7.264277 
1 1 1 -21 -8  8  o 68.477  3.6426  575.378    60.305   495.119    84.643   658.114    85.939   63.011  5.5944  72.931  4.8846  -9.919720      7.426766 
1 1 1 -21 -8  9  o 85.459  3.9112  894.557    81.102   855.569    115.921  931.939    113.508  82.914  5.7984  86.686  5.4238  -3.771309      7.939762 
1 1 1 -21 -8  10 o 20.107  7.0680  45.168     42.745   37.307     61.936   52.317     59.068   21.269  8.3021  22.438  8.2538  -1.169180      11.70680 
1 1 1 -21 -8  11 o 36.477  7.4280  172.320    63.509   247.099    75.165   -14.2838   118.737  43.899  7.3139  24.112  10.578  19.78723       12.86010 
1 1 1 -21 -8  12 o ?       ?       -223.2883  37.507   -132.2490  59.120   -284.6164  48.523   11.547  5.7117  ?       ?       0.000000       5.711746 
1 1 1 -21 -8  13 o 67.859  4.3313  566.989    70.945   623.799    103.643  516.900    97.318   70.697  6.1017  64.240  6.3255  6.457138       8.788785 
1 1 1 -21 -8  14 o 115.762 4.0210  1641.06    112.944  1827.78    162.625  1467.09    156.979  121.676 5.5083  108.692 5.9752  12.98374       8.126760 
1 1 1 -21 -8  15 f 115.695 4.0814  1639.60    114.574  1623.10    163.453  1655.54    160.646  114.369 5.9103  115.722 5.7212  -1.353325      8.225804 
1 1 1 -21 -8  16 o 74.415  5.7228  688.452    102.539  678.983    130.235  703.895    166.322  73.302  7.4247  73.736  9.5184  -0.4341812     12.07173 
1 1 1 -21 -8  17 o 11.518  5.6941  -129.7122  58.476   -108.8244  69.021   -182.8390  110.075  13.843  6.6993  17.086  8.3138  -3.243056      10.67707 
1 1 1 -21 -8  18 o 33.709  10.009  149.058    87.807   149.058    87.807   0.0000     0.0000   33.709  10.009  ?       ?       0.000000       10.00880 
1 1 1 -21 -8  19 f 38.167  8.6189  191.502    77.932   191.502    77.932   0.0000     0.0000   38.167  8.6189  ?       ?       0.000000       8.618896 
1 1 1 -21 -8  20 o 84.777  7.3508  907.690    149.713  907.690    149.713  0.0000     0.0000   84.777  7.3508  ?       ?       0.000000       7.350806 
1 1 1 -21 -8  21 o 71.198  4.2923  624.568    73.804   639.215    103.468  609.394    105.307  71.509  6.0192  69.715  6.2933  1.794601       8.708364 
1 1 1 -21 -8  22 o 67.756  4.3552  566.365    71.221   684.882    112.574  487.266    91.967   73.884  6.3409  62.295  6.1652  11.58811       8.844058 
1 1 1 -21 -8  23 o 57.375  4.6366  407.967    63.997   486.583    102.849  358.296    81.751   61.926  6.9658  53.207  6.4651  8.718727       9.503675 
1 1 1 -21 -8  24 o 14.969  6.8527  -35.2429   56.015   -36.0534   191.689  -35.1672   58.572   29.150  13.075  15.388  7.0307  13.76212       14.84534 
1 1 1 -21 -8  25 o 39.578  8.4521  207.347    78.699   197.644    211.817  208.901    84.767   40.039  15.429  39.539  9.0334  0.4999237      17.87926 
1 1 1 -21 -8  26 o 75.725  6.5055  724.765    118.372  877.422    240.883  676.165    135.914  79.057  13.010  72.467  7.8555  6.590553       15.19767 
1 1 1 -21 -8  27 o 86.419  4.1599  919.820    87.227   1068.03    133.550  809.552    115.192  92.202  6.0022  80.245  5.9587  11.95674       8.457703 
1 1 1 -21 -8  28 o 83.724  4.1791  864.268    84.897   923.988    129.807  819.627    112.228  85.494  6.3019  80.765  5.7647  4.728844       8.540792 
1 1 1 -21 -8  29 o 102.593 4.2065  1299.40    104.714  1566.20    157.720  1089.10    140.029  111.604 5.8446  92.773  6.2572  18.83096       8.562222 
1 1 1 -21 -8  30 o 62.846  4.6997  492.904    71.147   621.527    116.713  416.844    89.751   69.489  7.0183  56.984  6.6141  12.50461       9.643845 
1 1 1 -21 -8  31 o 68.645  5.7764  596.818    95.319   0.0000     0.0000   596.818    95.319   ?       ?       68.645  5.7764  0.000000       5.776444 
1 1 1 -21 -8  32 o 71.629  5.7946  651.107    99.848   0.0000     0.0000   651.107    99.848   ?       ?       71.629  5.7946  0.000000       5.794600 
1 1 1 -21 -8  33 o 81.404  5.2768  835.390    103.666  1037.26    267.229  799.629    112.473  82.626  13.817  79.272  5.8895  3.354065       15.01993 
1 1 1 -21 -8  34 o 77.428  4.5590  749.916    85.272   966.182    138.782  618.752    108.080  86.494  6.6641  69.224  6.5112  17.27041       9.316948 
1 1 1 -21 -8  35 o 74.260  4.2983  688.521    77.118   683.378    117.403  692.423    102.277  72.510  6.7505  73.648  5.7695  -1.137573      8.880117 
1 1 1 -21 -8  36 o 39.559  6.3638  205.219    59.012   283.862    70.237   16.441     108.820  46.648  6.3720  23.574  10.238  23.07367       12.05879 
1 1 1 -21 -8  37 o 24.341  7.4103  79.187     47.692   84.542     55.297   63.638     94.231   25.155  8.0292  25.247  10.117  -0.9203529E-01 12.91615 
1 1 1 -21 -8  38 o 63.666  5.3349  516.808    81.653   471.740    99.230   611.321    143.697  59.807  6.9686  66.362  9.1690  -6.555012      11.51655 
1 1 1 -21 -8  39 o 44.494  4.7264  251.294    50.246   245.777    68.245   257.826    74.250   43.049  6.7559  43.852  7.2302  -0.8031845     9.895331 
1 1 1 -21 -8  40 o 58.307  4.8058  430.894    67.385   433.177    95.316   428.614    95.279   57.126  7.0245  56.792  7.0671  0.3339043      9.964247 
1 1 1 -21 -8  41 o 93.065  4.2453  1083.76    95.864   1076.50    137.246  1090.67    133.959  90.977  6.2554  91.774  6.0497  -0.7973938     8.702182 
1 1 1 -21 -8  42 o 81.450  5.5272  853.037    108.589  626.135    244.116  909.009    121.245  57.019  16.623  83.663  6.0127  -26.64378      17.67705 
1 1 1 -21 -8  43 o 46.871  7.9224  304.090    86.889   107.495    182.942  361.356    98.737   30.828  13.331  50.895  8.2800  -20.06696      15.69308 
1 1 1 -21 -8  44 o 16.986  7.5911  -10.9640   63.988   196.240    169.729  -45.2929   69.086   34.353  13.640  15.825  7.3722  18.52821       15.50490 
1 1 1 -21 -8  45 o 63.163  4.7610  510.827    72.430   550.691    104.518  473.993    100.466  63.869  6.8513  58.939  7.1730  4.929184       9.919299 
1 1 1 -21 -8  46 o 61.224  4.7661  481.769    70.244   570.339    99.706   394.488    98.978   65.250  6.3793  52.838  7.9678  12.41108       10.20688 
1 1 1 -21 -8  47 o 39.732  6.1127  213.108    57.041   91.511     83.550   319.264    78.066   25.592  9.7320  48.171  6.8740  -22.57925      11.91486 
1 1 1 -21 -8  48 o 21.336  7.7014  60.258     51.078   109.457    74.875   17.434     69.856   26.899  9.3601  19.055  8.2388  7.844067       12.46957 
1 1 1 -21 -8  49 o 32.083  7.7307  151.030    59.470   148.222    79.842   154.529    89.130   30.426  9.6412  30.645  10.223  -0.2193928     14.05189 
1 1 1 -21 -8  50 o 18.782  8.3411  7.3810     76.009   -106.7618  299.738  15.226     78.578   26.254  12.963  19.456  8.5683  6.798286       15.53894 
1 1 1 -21 -8  51 o 10.612  5.2435  -96.3058   49.379   -46.5027   65.558   -161.6064  75.068   14.854  7.0027  12.405  6.1858  2.448597       9.343568 
1 1 1 -21 -8  52 o 26.311  8.9073  107.910    67.676   142.816    77.574   -3.2847    138.456  29.577  9.5173  22.451  10.452  7.125490       14.13572 
1 1 1 -21 -8  53 o 24.922  8.7801  94.398     65.993   104.898    75.489   60.362     135.913  25.914  9.3612  24.694  11.048  1.219835       14.48033 
1 1 1 -21 -8  54 o 21.001  7.9748  57.724     56.051   33.349     71.132   97.649     91.037   19.925  8.4575  25.465  10.028  -5.539228      13.11826 
1 1 1 -21 -8  55 o 24.685  7.9371  90.946     53.961   151.820    68.181   -11.1017   88.278   31.172  8.6890  18.824  8.6123  12.34760       12.23398 
1 1 1 -21 -8  56 o 19.577  9.2549  -45.8317   115.974  12.048     307.629  -55.4206   125.213  27.398  13.450  19.918  9.4748  7.479868       16.45243 
1 1 1 -21 -8  57 o 17.607  8.4406  -72.6906   103.529  -200.0002  308.662  -56.5524   109.896  24.397  12.222  18.620  8.8627  5.776865       15.09699 
1 1 1 -21 -8  58 o 21.299  9.6332  27.409     106.566  -603.4418  318.086  107.167    113.102  ?       ?       25.528  10.740  0.000000       10.74046 
1 1 1 -21 -7  1  o 112.878 3.8888  1566.00    106.508  1278.97    163.413  1777.98    140.435  100.521 6.7389  119.857 4.8289  -19.33610      8.290426 
1 1 1 -21 -7  2  f 57.374  3.7126  405.461    51.406   361.637    82.027   433.806    65.969   53.347  6.4693  59.110  4.6367  -5.763054      7.959344 
1 1 1 -21 -7  3  o 28.324  4.4214  101.033    29.393   84.403     40.135   120.270    43.167   25.486  6.4768  30.563  6.0351  -5.076881      8.852724 
1 1 1 -21 -7  4  o 19.845  7.2748  40.999     45.831   -61.6891   91.847   75.044     52.885   18.787  8.6644  24.500  7.8555  -5.713314      11.69531 
1 1 1 -21 -7  5  o 65.957  6.1549  545.907    97.365   442.875    159.026  607.688    123.144  56.844  11.911  69.101  7.4630  -12.25709      14.05591 
1 1 1 -21 -7  6  o 62.767  3.7646  484.125    57.070   442.598    77.522   533.259    84.324   59.593  5.4206  65.475  5.3546  -5.881836      7.619357 
1 1 1 -21 -7  7  o 62.535  3.7382  480.312    56.463   413.549    78.508   551.843    81.264   57.531  5.6990  66.723  5.0571  -9.191780      7.619253 
1 1 1 -21 -7  8  o 55.828  4.0533  383.878    54.532   322.372    72.277   465.165    83.089   50.665  5.9956  61.076  5.6715  -10.41128      8.253098 
1 1 1 -21 -7  9  o ?       ?       -158.7567  34.091   -251.9876  52.243   -89.6171   44.990   ?       ?       10.486  5.1470  0.000000       5.147017 
1 1 1 -21 -7  10 o 31.869  6.3624  130.312    47.476   171.173    67.384   90.033     66.902   36.261  7.8835  27.016  8.8492  9.245045       11.85148 
1 1 1 -21 -7  11 o 138.543 4.4394  2354.70    149.234  1782.99    192.370  3218.76    236.494  119.562 6.6575  161.218 6.0456  -41.65667      8.992852 
1 1 1 -21 -7  12 o 49.823  6.1091  311.726    72.306   388.969    85.074   110.752    137.227  55.641  6.4192  32.732  12.466  22.90910       14.02201 
1 1 1 -21 -7  13 o 33.695  7.0033  146.412    55.388   66.175     84.189   207.645    73.547   25.921  9.7904  40.056  7.8478  -14.13493      12.54745 
1 1 1 -21 -7  14 o 73.137  5.7281  664.540    100.839  318.458    159.199  896.427    130.314  48.117  13.226  84.784  6.3813  -36.66706      14.68509 
1 1 1 -21 -7  15 o 40.734  6.0178  209.478    57.688   352.886    83.514   78.605     79.780   52.901  6.6533  26.670  9.6252  26.23195       11.70095 
1 1 1 -21 -7  16 o 15.197  7.0915  -57.9307   64.344   -161.4462  76.140   200.705    120.352  13.304  6.5623  38.851  11.759  -25.54709      13.46649 
1 1 1 -21 -7  17 f 36.878  10.391  180.347    96.958   180.347    96.958   0.0000     0.0000   36.878  10.391  ?       ?       0.000000       10.39071 
1 1 1 -21 -7  18 o 51.466  9.9667  349.600    119.965  349.600    119.965  0.0000     0.0000   51.466  9.9667  ?       ?       0.000000       9.966720 
1 1 1 -21 -7  19 o 12.429  6.1848  -180.7552  73.457   -180.7552  73.457   0.0000     0.0000   12.429  6.1848  ?       ?       0.000000       6.184801 
1 1 1 -21 -7  20 o 56.476  5.0716  396.068    68.757   382.152    102.583  407.418    92.650   54.561  7.9850  56.758  6.8671  -2.196854      10.53174 
1 1 1 -21 -7  21 f 62.593  4.6204  484.286    69.676   620.421    121.400  417.415    85.085   70.013  7.2514  57.655  6.1783  12.35781       9.526480 
1 1 1 -21 -7  22 o 61.469  4.5965  467.300    68.060   593.499    115.774  400.654    84.134   68.489  7.0683  56.422  6.2505  12.06701       9.435516 
1 1 1 -21 -7  23 o 57.907  4.8083  416.040    66.948   567.518    113.630  335.502    82.855   66.894  7.1097  51.361  6.8169  15.53298       9.849814 
1 1 1 -21 -7  24 o 23.899  8.8467  60.241     68.047   175.633    204.175  45.822     72.173   38.911  15.106  22.972  8.9633  15.93972       17.56467 
1 1 1 -21 -7  25 o 32.806  8.9036  143.239    72.684   57.006     207.421  155.310    77.605   33.537  14.344  34.088  9.1785  -0.5511627     17.02902 
1 1 1 -21 -7  26 o 59.709  7.0752  455.669    100.510  599.601    235.903  423.746    111.099  63.301  15.486  57.035  8.2691  6.266094       17.55554 
1 1 1 -21 -7  27 o 129.070 4.4083  2055.28    138.058  2393.66    205.167  1775.27    186.634  138.230 6.1170  118.640 6.5081  19.59037       8.931617 
1 1 1 -21 -7  28 o 95.274  4.3443  1120.52    100.428  1454.76    155.856  883.200    131.328  107.576 5.9948  83.460  6.5373  24.11614       8.869851 
1 1 1 -21 -7  29 o 28.999  7.4809  111.599    52.985   195.137    98.774   77.848     62.783   37.483  10.462  25.104  8.5788  12.37974       13.52939 
1 1 1 -21 -7  30 f 88.972  5.6436  996.219    121.205  0.0000     0.0000   996.219    121.205  ?       ?       88.972  5.6436  0.000000       5.643618 
1 1 1 -21 -7  31 o 55.108  6.2075  388.525    81.558   0.0000     0.0000   388.525    81.558   ?       ?       55.108  6.2075  0.000000       6.207473 
1 1 1 -21 -7  32 o 36.356  7.5867  176.724    64.762   199.037    231.272  174.826    67.461   38.652  15.721  36.020  7.9332  2.631958       17.60919 
1 1 1 -21 -7  33 o 38.914  6.3519  197.267    57.907   262.959    104.288  167.986    69.626   43.105  10.141  35.078  8.3084  8.027287       13.10958 
1 1 1 -21 -7  34 o 68.165  4.3359  580.042    71.341   747.928    108.019  450.156    95.011   76.583  5.8574  58.813  6.7821  17.77009       8.961411 
1 1 1 -21 -7  35 f 85.724  3.9379  911.005    81.909   864.990    116.191  956.464    115.487  82.296  5.8570  86.801  5.5119  -4.504814      8.042718 
1 1 1 -21 -7  36 o 57.297  5.4738  419.052    75.175   337.808    90.622   598.327    134.616  50.209  7.6828  66.378  8.5574  -16.16856      11.50020 
1 1 1 -21 -7  37 o 23.564  7.5145  73.161     48.444   41.597     56.095   165.776    96.087   20.466  7.9252  33.769  10.560  -13.30345      13.20298 
1 1 1 -21 -7  38 o 44.470  6.2261  258.401    65.339   248.968    78.384   279.878    118.278  42.786  7.8392  43.182  11.195  -0.3964233     13.66708 
1 1 1 -21 -7  39 o 19.355  7.4451  37.636     49.248   64.578     70.787   12.362     68.560   23.689  8.9700  19.319  8.2543  4.369802       12.18995 
1 1 1 -21 -7  40 o 22.828  7.7688  67.167     51.484   131.406    76.221   13.270     69.817   30.378  9.3897  19.481  8.3267  10.89715       12.54991 
1 1 1 -21 -7  41 o 38.027  6.1734  190.864    55.008   245.942    80.703   143.070    75.178   42.101  8.1949  31.544  9.2330  10.55750       12.34527 
1 1 1 -21 -7  42 o 33.840  9.2276  166.368    77.855   333.015    181.568  128.825    86.179   43.078  14.590  29.861  10.052  13.21656       17.71714 
1 1 1 -21 -7  43 o 44.173  8.4510  275.435    87.280   596.253    195.663  195.741    97.520   59.163  13.871  35.756  10.530  23.40731       17.41503 
1 1 1 -21 -7  44 o 20.214  7.7200  45.498     52.716   37.324     70.668   55.753     79.155   20.993  8.6315  23.038  9.2583  -2.044418      12.65775 
1 1 1 -21 -7  45 o 16.304  6.9421  9.7864     48.193   81.521     67.835   -63.3166   68.479   24.545  8.8729  14.875  7.0555  9.670533       11.33616 
1 1 1 -21 -7  46 f 14.663  6.5364  -8.6886    47.125   43.602     66.658   -60.9355   66.630   20.923  8.4651  14.663  6.9564  6.259718       10.95671 
1 1 1 -21 -7  47 o 12.946  6.0284  -32.2270   46.115   -41.1622   69.005   -25.0163   61.989   15.774  7.3550  15.686  7.1913  0.8799171E-01  10.28642 
1 1 1 -21 -7  48 f 36.341  6.4937  182.353    55.159   118.833    78.767   243.476    77.266   27.739  9.6032  40.851  8.0814  -13.11137      12.55117 
1 1 1 -21 -7  49 o 23.002  8.3024  74.295     59.361   109.542    79.537   29.977     89.187   26.654  9.6119  21.221  9.2420  5.432480       13.33432 
1 1 1 -21 -7  50 o 30.846  10.597  162.739    95.822   -211.0404  306.759  203.154    100.869  25.122  12.523  34.162  10.838  -9.039865      16.56186 
1 1 1 -21 -7  51 o 37.730  9.0554  223.293    81.846   190.708    93.877   326.546    167.110  33.349  10.439  38.310  13.914  -4.961399      17.39507 
1 1 1 -21 -7  52 o 30.451  9.1166  148.177    72.627   129.022    81.663   220.645    158.839  28.100  9.7754  32.486  13.094  -4.385437      16.34042 
1 1 1 -21 -7  53 o 20.002  7.7783  48.727     54.209   47.448     68.722   50.833     88.200   20.796  8.5266  22.160  9.4123  -1.363375      12.70018 
1 1 1 -21 -7  54 o 42.278  6.6556  250.392    66.018   267.829    86.338   225.844    102.440  41.750  8.8001  35.958  10.841  5.792393       13.96339 
1 1 1 -21 -7  55 o 40.991  12.079  315.178    128.282  419.337    327.316  296.276    139.437  34.988  16.213  38.382  12.785  -3.393475      20.64793 
1 1 1 -21 -7  56 o 55.261  11.079  524.777    143.380  891.361    353.804  452.743    156.836  45.446  19.052  47.670  13.138  -2.223766      23.14244 
1 1 1 -21 -7  57 o 23.371  10.232  62.004     110.609  -53.6710   317.866  77.940     117.983  26.055  12.949  24.401  10.628  1.653990       16.75231 
1 1 1 -21 -6  1  o 30.687  3.9819  117.569    28.950   113.844    38.820   122.237    43.453   29.810  5.5719  30.798  6.0307  -0.9876518     8.210675 
1 1 1 -21 -6  2  o 42.183  3.6128  219.570    36.621   181.443    51.214   259.461    52.385   37.798  5.7668  45.606  4.8063  -7.808510      7.507103 
1 1 1 -21 -6  3  o 54.330  5.8859  370.968    76.352   475.382    144.799  330.756    89.860   59.654  10.381  50.708  7.5323  8.945728       12.82559 
1 1 1 -21 -6  4  o 32.843  7.3472  140.657    57.085   78.330     107.766  164.967    67.303   28.441  10.993  35.452  8.0124  -7.011932      13.60286 
1 1 1 -21 -6  5  o 12.785  5.9089  -33.6230   43.057   -46.7558   90.391   -29.7686   48.969   19.334  8.7949  14.122  6.4430  5.212195       10.90240 
1 1 1 -21 -6  6  o 13.567  5.5075  9.6091     28.318   -2.2794    34.861   32.672     48.555   13.566  5.8428  19.272  7.3973  -5.705958      9.426472 
1 1 1 -21 -6  7  o 61.344  3.7500  462.066    55.549   388.837    77.681   538.698    79.465   55.764  5.8272  65.962  5.0023  -10.19766      7.679775 
1 1 1 -21 -6  8  o 121.331 4.0927  1803.32    120.489  1599.71    171.275  2002.81    169.531  113.392 6.2492  127.379 5.4851  -13.98706      8.315034 
1 1 1 -21 -6  9  o 67.187  5.9211  562.517    95.541   631.271    154.330  519.794    121.656  69.917  9.3299  63.861  8.0285  6.055771       12.30871 
1 1 1 -21 -6  10 o 55.569  4.3984  380.907    58.820   471.911    83.725   292.219    82.654   61.579  5.6671  47.867  7.3514  13.71183       9.282211 
1 1 1 -21 -6  11 o 122.570 4.4265  1841.99    131.647  1880.92    212.964  1817.92    167.479  122.616 7.1895  121.352 5.6878  1.263832       9.167358 
1 1 1 -21 -6  12 o 153.785 4.8864  2905.86    182.333  2893.76    301.634  2912.83    228.883  151.516 8.2355  153.406 6.1491  -1.889084      10.27787 
1 1 1 -21 -6  13 o 124.818 4.2829  1908.56    129.710  1996.27    187.935  1828.78    179.249  127.024 6.0976  121.587 6.0758  5.437134       8.607903 
1 1 1 -21 -6  14 o 128.986 4.3208  2038.52    135.229  2100.05    195.675  1982.27    187.097  130.245 6.1917  126.580 6.0917  3.664543       8.685965 
1 1 1 -21 -6  15 o 142.773 6.2270  2524.38    215.718  2740.84    286.737  2242.11    327.441  147.577 8.0379  131.905 10.313  15.67157       13.07522 
1 1 1 -21 -6  16 o 86.697  7.8787  949.471    163.930  949.471    163.930  0.0000     0.0000   86.697  7.8787  ?       ?       0.000000       7.878739 
1 1 1 -21 -6  17 o 53.009  10.106  370.204    125.246  370.204    125.246  0.0000     0.0000   53.009  10.106  ?       ?       0.000000       10.10641 
1 1 1 -21 -6  18 o 78.928  6.3818  777.839    121.173  777.839    121.173  0.0000     0.0000   78.928  6.3818  ?       ?       0.000000       6.381778 
1 1 1 -21 -6  19 o 121.405 4.3143  1807.53    127.090  1986.13    182.737  1640.20    176.870  126.653 5.9463  114.759 6.3770  11.89383       8.719250 
1 1 1 -21 -6  20 o 63.585  4.4141  498.542    67.680   449.761    109.236  528.936    86.224   59.371  7.7691  65.219  5.5000  -5.847706      9.518838 
1 1 1 -21 -6  21 o 20.777  7.0556  50.524     42.465   27.890     92.952   56.494     47.738   23.817  9.8566  21.950  7.4807  1.867298       12.37389 
1 1 1 -21 -6  22 o 16.298  6.7357  10.743     43.324   -21.5203   97.390   18.703     48.374   21.407  9.4774  17.819  7.2106  3.587940       11.90858 
1 1 1 -21 -6  23 o 41.548  7.9582  224.956    77.308   246.464    229.181  222.194    82.121   43.489  16.208  41.107  8.5134  2.381424       18.30810 
1 1 1 -21 -6  24 o 55.815  6.9844  396.646    92.519   422.757    244.572  392.285    99.947   53.025  16.882  55.246  7.6623  -2.220688      18.53928 
1 1 1 -21 -6  25 f 35.653  8.8493  169.519    76.196   327.096    235.971  151.177    80.509   47.377  16.609  33.640  9.4650  13.73761       19.11676 
1 1 1 -21 -6  26 o 33.788  6.4158  147.445    50.676   80.364     99.898   170.688    58.803   27.837  10.628  36.259  6.9366  -8.421345      12.69158 
1 1 1 -21 -6  27 o 68.562  4.6434  583.472    76.792   763.873    128.475  483.193    95.786   77.492  6.9051  61.686  6.4973  15.80665       9.481337 
1 1 1 -21 -6  28 o 39.678  6.2732  202.211    58.387   308.096    105.881  155.943    69.991   47.773  9.4689  34.092  8.4925  13.68080       12.71937 
1 1 1 -21 -6  29 o 49.740  6.2840  316.172    74.149   0.0000     0.0000   316.172    74.149   ?       ?       49.740  6.2840  0.000000       6.283955 
1 1 1 -21 -6  30 o 13.275  6.1829  -40.8413   48.548   0.0000     0.0000   -40.8413   48.548   ?       ?       13.275  6.1829  0.000000       6.182916 
1 1 1 -21 -6  31 o 27.999  8.3425  104.747    60.924   0.0000     0.0000   104.747    60.924   ?       ?       27.999  8.3425  0.000000       8.342461 
1 1 1 -21 -6  32 o 23.940  7.7205  73.810     51.026   70.108     98.565   75.165     59.640   26.430  10.426  24.473  8.3614  1.957588       13.36469 
1 1 1 -21 -6  33 o 79.320  4.2929  783.327    82.314   821.144    127.104  756.009    108.029  79.843  6.6205  77.105  5.8171  2.738403       8.813050 
1 1 1 -21 -6  34 o 32.464  5.9945  137.686    45.480   163.383    62.690   109.136    66.080   34.775  7.6386  28.338  8.7401  6.437016       11.60760 
1 1 1 -21 -6  35 o 50.483  4.4735  320.182    54.229   327.196    74.789   312.407    78.747   50.233  6.2727  48.781  6.8412  1.451996       9.281650 
1 1 1 -21 -6  36 o 29.745  7.3719  120.113    52.937   133.096    61.657   83.704     103.251  31.083  8.0951  27.263  10.698  3.819761       13.41517 
1 1 1 -21 -6  37 o 25.577  7.5549  88.355     50.132   97.937     58.084   60.371     99.263   26.815  8.1812  25.357  10.305  1.457275       13.15762 
1 1 1 -21 -6  38 o 21.232  6.9202  57.951     40.932   -8.6707    55.412   137.960    60.725   16.210  7.1641  31.618  7.9295  -15.40784      10.68652 
1 1 1 -21 -6  39 o 40.782  5.9429  216.884    57.079   264.878    82.212   172.217    79.311   44.014  7.9923  34.711  9.2497  9.303822       12.22432 
1 1 1 -21 -6  40 o 17.068  7.0270  17.670     46.916   -11.3287   68.725   42.979     64.205   17.772  7.9100  21.218  8.4004  -3.445963      11.53842 
1 1 1 -21 -6  41 o 21.971  7.6235  61.231     49.652   114.259    71.723   12.427     68.806   28.479  9.1500  19.251  8.2483  9.227428       12.31899 
1 1 1 -21 -6  42 o 10.987  5.4077  -98.5638   50.779   -167.3477  153.133  -90.0662   53.824   20.551  9.9538  11.782  5.7505  8.768713       11.49548 
1 1 1 -21 -6  43 o 23.775  8.9555  69.645     70.329   54.967     160.951  73.109     78.189   27.748  12.239  24.487  9.3899  3.261316       15.42628 
1 1 1 -21 -6  44 o 28.300  7.5780  112.870    53.074   154.535    80.974   81.489     70.273   32.071  9.6318  24.742  9.0176  7.329247       13.19426 
1 1 1 -21 -6  45 o 34.546  6.6854  163.506    54.013   159.026    79.782   167.296    73.389   32.368  9.5222  33.603  8.8706  -1.234974      13.01384 
1 1 1 -21 -6  46 o 49.941  5.2820  326.044    63.034   328.768    89.211   323.328    89.076   48.139  7.9125  47.674  7.9827  0.4657326      11.23975 
1 1 1 -21 -6  47 o 31.546  7.0828  140.654    52.887   103.410    76.325   175.053    73.351   26.437  9.4286  34.058  8.8098  -7.620649      12.90387 
1 1 1 -21 -6  48 o 17.179  7.4325  10.254     56.921   20.364     72.562   -5.9192    91.780   19.446  8.4023  19.677  8.9163  -0.2316418     12.25156 
1 1 1 -21 -6  49 o 28.279  10.173  129.191    89.039   -514.8657  284.063  199.363    93.764   21.536  10.898  34.521  10.364  -12.98530      15.03947 
1 1 1 -21 -6  50 o 53.559  5.8652  387.934    74.976   406.526    97.534   361.076    117.224  52.831  7.8469  46.571  10.611  6.260540       13.19689 
1 1 1 -21 -6  51 o 29.897  9.2406  143.296    73.821   96.464     82.823   324.294    162.823  25.278  9.6712  38.518  13.768  -13.23941      16.82491 
1 1 1 -21 -6  52 o 19.618  8.1472  36.600     63.826   74.444     70.281   -141.5121  152.469  23.121  8.8938  19.689  9.6245  3.432058       13.10462 
1 1 1 -21 -6  53 o 25.359  8.2783  97.073     58.565   145.605    73.343   11.681     97.288   30.182  9.1898  20.634  9.2802  9.547665       13.06044 
1 1 1 -21 -6  54 o 15.930  7.0795  -1.8654    54.848   -37.2857   67.735   65.583     93.470   15.550  7.2629  23.387  9.7979  -7.837195      12.19621 
1 1 1 -21 -6  55 o 35.256  11.907  236.567    120.936  -484.7592  343.445  338.666    129.212  23.309  11.815  42.778  11.975  -19.46962      16.82259 
1 1 1 -21 -6  56 o 40.190  12.573  322.789    136.195  86.432     335.575  369.399    149.020  28.500  14.003  42.258  13.140  -13.75768      19.20275 
1 1 1 -21 -6  57 o 42.772  12.584  370.688    139.331  1032.29    344.947  241.702    152.309  48.680  19.409  32.670  12.937  16.01039       23.32523 
1 1 1 -21 -5  1  o 39.439  3.7577  192.401    35.524   168.495    48.673   219.651    51.965   36.418  5.6948  41.810  5.2372  -5.392792      7.736868 
1 1 1 -21 -5  2  o 18.409  5.5251  42.490     26.651   33.860     32.027   61.924     48.058   17.439  6.1187  22.600  7.5049  -5.160961      9.683047 
1 1 1 -21 -5  3  o 56.487  5.8451  399.979    78.955   307.165    148.328  436.674    93.266   46.962  12.708  58.776  6.6571  -11.81399      14.34599 
1 1 1 -21 -5  4  o 52.270  6.0521  343.458    75.337   470.563    141.744  293.414    88.940   59.655  10.156  47.645  7.9753  12.01018       12.91350 
1 1 1 -21 -5  5  o 74.827  3.5911  684.664    65.200   706.959    92.975   663.092    91.457   75.570  5.1004  73.153  5.1861  2.417557       7.273914 
1 1 1 -21 -5  6  o 78.939  3.8554  762.640    73.846   742.636    102.881  783.900    106.061  77.360  5.5171  79.485  5.5338  -2.124474      7.814177 
1 1 1 -21 -5  7  o 111.511 4.0275  1522.51    108.971  1327.60    151.512  1731.38    156.844  103.363 6.0677  118.462 5.4566  -15.09862      8.160412 
1 1 1 -21 -5  8  o 90.701  5.6360  1019.27    123.422  1300.83    157.541  571.844    198.594  102.218 6.3838  64.738  13.093  37.47976       14.56606 
1 1 1 -21 -5  9  o 102.892 4.0212  1295.58    100.392  1260.57    144.518  1328.23    139.564  100.817 5.9339  103.629 5.5709  -2.811569      8.139192 
1 1 1 -21 -5  10 o 119.885 4.2084  1759.96    122.418  1840.03    175.752  1684.51    170.614  122.025 5.9359  116.565 6.0531  5.459633       8.477924 
1 1 1 -21 -5  11 o 79.402  4.2819  774.360    82.192   598.810    119.416  932.384    113.298  68.973  7.2436  86.849  5.4032  -17.87566      9.036828 
1 1 1 -21 -5  12 o 62.939  5.0969  490.078    77.169   446.982    129.729  513.679    96.002   58.736  9.4212  64.142  6.2477  -5.406464      11.30451 
1 1 1 -21 -5  13 o 73.837  4.3714  670.190    77.969   660.125    111.627  679.778    108.951  72.742  6.3891  73.904  6.1311  -1.161415      8.855027 
1 1 1 -21 -5  14 o 38.509  6.7055  189.039    60.380   91.085     96.005   253.138    77.662   28.885  10.538  44.493  7.4577  -15.60760      12.91005 
1 1 1 -21 -5  15 o 81.274  8.1102  836.091    157.801  836.091    157.801  0.0000     0.0000   81.274  8.1102  ?       ?       0.000000       8.110188 
1 1 1 -21 -5  16 o 104.187 7.9288  1367.64    198.935  1367.64    198.935  0.0000     0.0000   104.187 7.9288  ?       ?       0.000000       7.928820 
1 1 1 -21 -5  17 o 105.361 7.7658  1397.32    197.132  1397.32    197.132  0.0000     0.0000   105.361 7.7658  ?       ?       0.000000       7.765790 
1 1 1 -21 -5  18 o 91.929  4.2604  1035.60    95.032   1355.15    140.045  762.872    129.379  104.664 5.5342  77.991  6.9083  26.67323       8.851634 
1 1 1 -21 -5  19 o 118.332 4.3151  1716.87    123.896  1910.94    181.162  1546.33    169.820  124.228 6.0101  111.472 6.3044  12.75566       8.710164 
1 1 1 -21 -5  20 o 61.780  3.9373  469.143    58.714   100.373    101.752  653.222    71.890   29.861  10.856  72.908  4.0802  -43.04626      11.59731 
1 1 1 -21 -5  21 o 76.693  4.2944  723.898    79.594   811.383    127.275  667.711    102.000  80.465  6.5764  73.218  5.7886  7.246521       8.761061 
1 1 1 -21 -5  22 o 50.734  5.0978  320.551    61.906   448.140    105.942  254.399    76.284   59.275  7.5365  44.503  7.3190  14.77172       10.50558 
1 1 1 -21 -5  23 o 56.678  6.7320  406.823    90.770   276.551    239.455  428.684    98.091   45.264  16.623  58.063  7.1111  -12.79928      18.08033 
1 1 1 -21 -5  24 o 28.690  8.5648  106.984    64.170   -9.1465    222.907  117.478    67.006   32.231  14.301  29.943  8.7032  2.288107       16.74067 
1 1 1 -21 -5  25 f 44.347  8.6015  259.389    89.216   639.097    243.296  200.400    95.896   65.739  15.504  38.455  10.135  27.28443       18.52281 
1 1 1 -21 -5  26 o 83.325  4.4782  858.476    90.209   1142.24    145.080  679.621    115.181  95.305  6.3095  73.313  6.5437  21.99129       9.090075 
1 1 1 -21 -5  27 o 90.777  4.3390  1016.16    95.572   1151.82    152.204  927.858    122.800  95.431  6.6140  85.962  5.9236  9.469276       8.878851 
1 1 1 -21 -5  28 o 35.989  7.6261  171.133    64.524   0.0000     0.0000   171.133    64.524   ?       ?       35.989  7.6261  0.000000       7.626117 
1 1 1 -21 -5  29 o 45.135  6.6522  262.750    70.668   0.0000     0.0000   262.750    70.668   ?       ?       45.135  6.6522  0.000000       6.652225 
1 1 1 -21 -5  30 o 18.491  7.5318  21.195     53.181   0.0000     0.0000   21.195     53.181   ?       ?       18.491  7.5318  0.000000       7.531772 
1 1 1 -21 -5  31 o 37.111  6.6132  179.853    57.366   282.979    108.203  139.534    67.657   45.001  10.151  32.031  8.5466  12.97034       13.26989 
1 1 1 -21 -5  32 o 13.535  5.7968  0.6340     33.960   -19.5374   47.366   21.972     48.716   14.333  6.4580  17.919  7.2414  -3.586246      9.702760 
1 1 1 -21 -5  33 o 22.243  6.5686  64.657     37.901   -13.0863   51.534   156.251    55.936   15.434  6.8605  34.303  6.9583  -18.86979      9.771568 
1 1 1 -21 -5  34 o 27.527  6.2757  100.316    40.985   93.913     58.864   106.341    57.100   26.482  8.2625  27.990  8.0046  -1.507982      11.50400 
1 1 1 -21 -5  35 o 39.267  6.5871  202.918    60.538   180.821    71.414   259.345    114.119  36.254  8.2977  41.949  11.056  -5.695507      13.82320 
1 1 1 -21 -5  36 o 40.912  6.4759  219.854    62.145   220.513    73.228   218.157    117.487  40.341  7.7630  38.083  11.639  2.257496       13.99016 
1 1 1 -21 -5  37 o 35.812  7.1486  172.473    59.942   110.355    71.029   326.194    111.735  28.319  9.1064  47.736  9.9685  -19.41710      13.50173 
1 1 1 -21 -5  38 o 14.673  6.4300  -5.0606    43.768   39.858     74.505   -28.7298   54.083   21.954  8.9255  14.736  6.7415  7.218830       11.18536 
1 1 1 -21 -5  39 o 16.684  6.9024  15.268     45.563   -43.1405   73.471   51.770     58.081   16.719  7.7243  21.571  8.1356  -4.851946      11.21840 
1 1 1 -21 -5  40 o 52.119  5.1536  347.230    64.319   544.988    93.703   171.034    88.447   64.832  6.0256  34.150  10.020  30.68176       11.69242 
1 1 1 -21 -5  41 o 49.941  7.6809  339.451    90.094   336.597    194.630  340.230    101.639  43.053  15.085  49.169  8.8445  -6.115555      17.48644 
1 1 1 -21 -5  42 o 23.141  8.7257  63.979     66.805   7.6794     170.907  74.133     72.580   26.692  12.123  24.393  9.1153  2.299236       15.16769 
1 1 1 -21 -5  43 o 24.947  8.6101  84.641     63.294   -178.2992  175.118  124.152    67.883   21.728  10.552  29.315  8.8222  -7.587433      13.75433 
1 1 1 -21 -5  44 o 21.750  7.5875  61.635     49.216   69.562     73.080   55.055     66.578   23.734  9.0835  22.080  8.6107  1.653587       12.51620 
1 1 1 -21 -5  45 o 18.793  7.1557  39.189     45.206   -3.2395    69.464   70.359     59.539   17.961  7.9754  23.051  8.3157  -5.089848      11.52202 
1 1 1 -21 -5  46 o 60.711  4.7892  475.139    69.976   398.763    100.495  547.026    97.497   52.858  8.0933  63.758  6.3881  -10.90078      10.31060 
1 1 1 -21 -5  47 o 28.578  7.4827  117.852    52.499   78.754     80.995   146.179    68.942   24.343  9.4962  31.060  8.7655  -6.716667      12.92333 
1 1 1 -21 -5  48 o 15.528  6.9715  -9.4059    54.639   12.133     68.823   -46.1254   89.860   18.535  8.0940  17.728  8.3076  0.8063755      11.59866 
1 1 1 -21 -5  49 o 23.361  8.2770  78.267     58.727   98.147     74.635   45.950     95.159   25.519  9.2944  22.440  9.6593  3.078629       13.40473 
1 1 1 -21 -5  50 o 31.301  9.1330  155.623    73.661   167.101    81.987   107.568    167.758  31.945  9.7139  27.589  12.313  4.356720       15.68344 
1 1 1 -21 -5  51 o 27.241  9.2292  117.336    72.657   100.767    81.064   185.023    163.841  25.628  9.6222  30.726  12.927  -5.098263      16.11518 
1 1 1 -21 -5  52 o 25.150  8.6230  95.850     63.434   79.383     80.707   122.463    102.601  23.873  9.4289  27.407  10.689  -3.534636      14.25337 
1 1 1 -21 -5  53 f 15.485  7.0199  -13.2511   56.962   -95.6695   72.276   121.866    92.542   13.865  6.7442  27.432  10.285  -13.56709      12.29871 
1 1 1 -21 -5  54 o 43.907  9.9708  312.869    103.803  153.716    326.443  330.772    109.486  30.227  14.614  44.804  10.288  -14.57682      17.87181 
1 1 1 -21 -5  55 o 27.073  11.029  119.077    114.069  -33.1257   315.734  141.926    122.332  27.053  13.348  28.486  11.488  -1.432535      17.61057 
1 1 1 -21 -5  56 o 26.373  10.893  112.952    113.230  -187.7558  318.950  156.316    121.120  24.848  12.444  29.012  11.522  -4.163914      16.95901 
1 1 1 -21 -5  57 o 16.267  7.9121  -101.2750  99.442   -149.6978  308.741  -95.6701   105.040  24.410  12.228  16.902  8.2003  7.507912       14.72272 
1 1 1 -21 -4  1  o 53.173  3.5921  347.738    46.074   385.107    64.971   309.936    65.347   55.669  4.8587  49.720  5.5093  5.949169       7.345690 
1 1 1 -21 -4  2  o 44.767  5.9869  253.097    63.402   195.560    115.099  278.161    75.966   38.089  11.493  46.677  6.9168  -8.588055      13.41418 
1 1 1 -21 -4  3  o 45.224  6.3338  259.038    67.595   68.606     133.964  324.081    78.293   29.754  12.014  50.612  6.5274  -20.85848      13.67246 
1 1 1 -21 -4  4  o 74.207  3.6782  673.612    66.229   686.530    94.794   661.293    92.569   74.414  5.2844  73.034  5.2589  1.379608       7.455256 
1 1 1 -21 -4  5  f 35.284  4.5848  155.360    38.324   180.186    52.124   126.146    56.543   37.736  5.8846  31.127  7.5613  6.608892       9.581309 
1 1 1 -21 -4  6  o 9.4779  4.0141  0.6019     15.967   23.796     16.977   -177.1097  46.992   14.038  4.4455  ?       ?       0.000000       4.445508 
1 1 1 -21 -4  7  o 45.043  5.4323  253.524    58.172   337.788    82.024   168.247    82.515   51.741  6.6900  35.741  9.3922  16.00080       11.53125 
1 1 1 -21 -4  8  o 119.209 4.1837  1740.03    121.014  1771.73    173.570  1710.05    168.809  119.720 5.9751  117.489 5.9408  2.230705       8.425863 
1 1 1 -21 -4  9  o 111.305 4.1882  1516.67    113.112  1504.54    163.160  1527.90    156.951  110.134 6.1299  111.099 5.8427  -0.9651642     8.468334 
1 1 1 -21 -4  10 o 37.634  6.1677  179.445    54.370   106.231    81.793   237.404    72.775   29.448  9.7914  43.134  7.2078  -13.68599      12.15829 
1 1 1 -21 -4  11 o 10.520  5.1716  -94.1150   45.973   -120.1473  61.045   -60.0022   69.879   12.244  6.0071  15.978  7.4339  -3.733898      9.557628 
1 1 1 -21 -4  12 o 70.623  4.3269  613.013    73.789   573.065    104.722  652.403    103.988  67.738  6.4494  72.455  5.9681  -4.716736      8.787032 
1 1 1 -21 -4  13 o 66.778  4.9103  550.395    79.004   620.474    127.360  506.560    100.727  70.129  7.6066  63.600  6.6244  6.529095       10.08676 
1 1 1 -21 -4  14 o 22.254  8.8163  36.594     70.761   3.5063     85.486   108.602    126.111  21.571  9.2167  32.075  12.010  -10.50408      15.13869 
1 1 1 -21 -4  15 o 47.448  9.6622  295.273    107.460  295.273    107.460  0.0000     0.0000   47.448  9.6622  ?       ?       0.000000       9.662173 
1 1 1 -21 -4  16 o 122.142 7.6621  1871.65    225.929  1871.65    225.929  0.0000     0.0000   122.142 7.6621  ?       ?       0.000000       7.662115 
1 1 1 -21 -4  17 f 121.001 4.2713  1793.51    125.405  1906.83    179.589  1685.67    175.190  124.203 5.9591  116.528 6.2186  7.675201       8.612889 
1 1 1 -21 -4  18 o 37.246  6.8858  177.751    59.938   300.463    86.014   61.913     83.569   48.493  7.5563  25.530  9.7272  22.96340       12.31733 
1 1 1 -21 -4  19 o 14.829  6.2248  4.8254     37.851   -115.9203  73.986   47.631     44.052   14.351  6.9430  20.565  7.1782  -6.213473      9.986580 
1 1 1 -21 -4  20 o 33.393  7.0752  144.198    55.544   123.544    85.823   159.085    72.862   31.173  10.008  34.788  8.6645  -3.615345      13.23787 
1 1 1 -21 -4  21 o 72.061  4.3723  639.657    76.088   709.058    114.756  585.211    101.643  75.276  6.3419  68.390  6.1923  6.885757       8.863680 
1 1 1 -21 -4  22 o 37.888  7.7652  186.933    68.989   -14.1382   226.495  207.495    72.430   32.550  14.430  39.970  7.7480  -7.420574      16.37837 
1 1 1 -21 -4  23 o 40.554  8.2698  215.550    78.617   371.891    231.919  195.252    83.565   50.448  16.474  38.326  9.1184  12.12212       18.82895 
1 1 1 -21 -4  24 o 56.429  6.9687  405.240    93.388   540.321    232.142  379.158    102.006  60.441  15.691  54.161  8.0031  6.280651       17.61423 
1 1 1 -21 -4  25 f 99.750  4.2187  1223.72    102.107  1355.93    154.703  1121.67    135.916  104.042 6.1555  94.699  5.9452  9.342552       8.557818 
1 1 1 -21 -4  26 o 36.089  6.2652  167.344    52.873   167.927    93.292   167.068    64.175   35.223  10.278  35.642  7.6495  -0.4190598     12.81252 
1 1 1 -21 -4  27 o 58.627  6.0572  434.557    84.923   0.0000     0.0000   434.557    84.923   ?       ?       58.627  6.0572  0.000000       6.057193 
1 1 1 -21 -4  28 o 77.521  5.6900  754.969    106.280  0.0000     0.0000   754.969    106.280  ?       ?       77.521  5.6900  0.000000       5.689982 
1 1 1 -21 -4  29 o 14.453  6.5032  -19.9027   47.840   0.0000     0.0000   -19.9027   47.840   ?       ?       14.453  6.5032  0.000000       6.503181 
1 1 1 -21 -4  30 o 50.004  5.0591  314.624    60.538   324.597    101.427  309.104    75.452   49.118  8.8353  49.000  6.5070  0.1174316      10.97290 
1 1 1 -21 -4  31 o 28.650  6.1801  107.575    41.699   51.823     60.780   157.151    57.315   22.135  8.3278  34.454  7.0924  -12.31810      10.93868 
1 1 1 -21 -4  32 f 28.884  6.1443  109.500    41.738   75.186     60.217   141.229    57.904   24.481  8.4011  32.431  7.5069  -7.950073      11.26638 
1 1 1 -21 -4  33 o 42.195  4.8772  225.330    49.014   200.435    68.342   251.696    70.332   38.690  7.5509  43.809  6.8400  -5.119110      10.18834 
1 1 1 -21 -4  34 o 19.025  6.6348  42.880     37.631   94.305     51.059   -18.2661   55.676   26.468  7.5694  15.698  7.0434  10.76976       10.33950 
1 1 1 -21 -4  35 o 17.843  7.2623  21.369     49.396   29.823     56.427   -6.3526    102.182  19.449  7.8166  21.865  9.6927  -2.416462      12.45181 
1 1 1 -21 -4  36 o 18.191  7.1623  28.814     46.434   0.0003     53.128   122.030    95.557   16.534  7.1668  29.909  10.562  -13.37500      12.76421 
1 1 1 -21 -4  37 o 22.352  6.8197  65.845     40.361   113.206    54.807   9.7260     59.659   28.748  7.7019  18.118  7.7194  10.62975       10.90449 
1 1 1 -21 -4  38 o 44.999  5.5138  260.677    58.944   385.283    88.270   160.397    79.186   54.029  6.8901  33.507  9.3726  20.52195       11.63268 
1 1 1 -21 -4  39 o 63.273  4.7898  506.490    72.991   505.499    108.824  507.301    98.410   61.493  7.4452  62.192  6.6233  -0.6993294     9.964865 
1 1 1 -21 -4  40 o 42.182  5.7101  231.276    56.941   234.917    85.826   228.414    76.101   40.701  8.9356  40.695  7.9922  0.5897522E-02  11.98834 
1 1 1 -21 -4  41 o 15.730  6.9678  -8.4772    52.711   -176.1536  159.057  12.209     55.867   20.871  10.118  17.689  7.5012  3.181173       12.59505 
1 1 1 -21 -4  42 o 36.320  8.8607  190.222    77.394   483.531    186.113  128.896    85.101   52.561  14.240  29.749  9.9888  22.81245       17.39384 
1 1 1 -21 -4  43 o 52.333  5.1592  353.300    64.661   427.664    94.343   287.421    88.797   56.239  7.0700  45.011  8.4405  11.22754       11.01032 
1 1 1 -21 -4  44 o 32.781  6.7549  147.544    51.941   109.963    82.807   171.921    66.692   27.583  9.8226  34.652  8.0806  -7.068647      12.71925 
1 1 1 -21 -4  45 o 27.465  7.5555  107.555    51.928   95.888     80.956   115.711    67.688   26.098  9.6517  27.996  8.8778  -1.898008      13.11374 
1 1 1 -21 -4  46 o 14.869  6.4811  0.9210     43.946   22.959     70.094   -13.3513   56.409   19.567  8.3529  15.634  7.0455  3.933799       10.92748 
1 1 1 -21 -4  47 o 38.622  5.9820  201.744    54.246   123.392    80.869   265.840    73.143   28.189  9.7321  43.518  7.1772  -15.32876      12.09243 
1 1 1 -21 -4  48 o 17.237  7.4506  11.455     57.094   -19.3674   72.498   61.787     92.643   17.086  7.8125  23.383  9.7718  -6.297388      12.51092 
1 1 1 -21 -4  49 o 22.072  8.4115  64.732     62.499   170.929    82.032   -82.2044   96.492   32.437  9.6838  16.976  8.1407  15.46125       12.65103 
1 1 1 -21 -4  50 o 36.490  9.0506  208.722    79.743   209.837    89.686   204.514    174.247  35.632  9.9773  31.605  13.316  4.027145       16.63922 
1 1 1 -21 -4  51 o 13.363  6.4176  -66.1599   60.464   -58.6311   66.002   -105.4613  150.799  14.404  6.8594  20.413  9.8848  -6.009210      12.03162 
1 1 1 -21 -4  52 o 17.745  7.5942  18.293     58.207   -39.4000   71.909   127.926    99.127   15.949  7.4603  27.850  10.598  -11.90119      12.96062 
1 1 1 -21 -4  53 o 28.674  8.2617  125.277    60.618   77.499     78.138   197.499    96.068   23.694  9.3033  33.942  10.550  -10.24736      14.06591 
1 1 1 -21 -4  54 o 22.017  9.8787  24.871     109.526  217.937    306.634  -3.3631    117.261  31.228  14.846  21.307  9.8133  9.920797       17.79657 
1 1 1 -21 -4  55 o 40.592  12.386  320.750    133.120  474.589    305.640  284.734    147.884  36.435  16.412  36.559  13.115  -0.1235809     21.00852 
1 1 1 -21 -4  56 o 22.076  10.073  23.834     119.699  567.099    284.179  -93.3404   131.978  39.042  16.746  19.112  9.2527  19.93034       19.13235 
1 1 1 -21 -3  1  o 60.764  5.6194  461.240    81.913   367.351    137.384  513.028    102.033  51.996  11.219  63.740  6.6974  -11.74396      13.06580 
1 1 1 -21 -3  2  o 50.771  5.8793  323.670    71.087   226.103    127.421  367.761    85.657   40.772  12.045  53.906  6.6928  -13.13349      13.77959 
1 1 1 -21 -3  3  o 63.606  3.7772  496.832    58.034   422.290    81.934   571.880    82.211   58.103  5.8932  67.956  5.0214  -9.853088      7.742379 
1 1 1 -21 -3  4  o 76.965  3.7585  724.603    70.189   719.405    100.512  729.551    98.059   76.152  5.4763  76.743  5.2985  -0.5913696     7.619935 
1 1 1 -21 -3  5  o 17.982  5.9841  38.043     30.548   42.303     41.551   33.031     45.066   19.650  6.9622  18.920  7.1588  0.7302532      9.986064 
1 1 1 -21 -3  6  o 85.947  3.9545  903.773    82.467   897.815    117.602  909.536    115.674  85.089  5.7295  85.687  5.5943  -0.5986481     8.007664 
1 1 1 -21 -3  7  o 107.173 4.1195  1405.92    107.126  1377.91    150.527  1434.67    152.490  105.454 5.9066  107.627 5.8614  -2.172813      8.321265 
1 1 1 -21 -3  8  o 42.064  6.6514  224.489    65.630   277.785    79.921   114.128    115.007  46.710  7.2897  31.824  11.546  14.88568       13.65430 
1 1 1 -21 -3  9  o 124.553 4.7367  1903.32    143.152  1883.19    181.572  1936.40    232.707  123.454 6.0615  124.251 7.7575  -0.7968750     9.844828 
1 1 1 -21 -3  10 o 111.719 4.1218  1526.98    111.732  1598.15    159.580  1458.55    156.491  113.686 5.8044  108.536 5.9651  5.149590       8.323093 
1 1 1 -21 -3  11 o 53.908  4.8187  359.335    62.366   387.898    89.545   332.426    86.911   55.535  6.7864  51.238  7.1884  4.296505       9.885807 
1 1 1 -21 -3  12 o 69.723  4.3145  597.378    72.632   563.052    103.011  631.316    102.427  67.167  6.3980  71.276  5.9777  -4.109032      8.755961 
1 1 1 -21 -3  13 o 59.099  5.7256  434.392    81.074   404.119    95.095   514.953    155.128  56.614  7.0772  62.727  10.568  -6.113033      12.71874 
1 1 1 -21 -3  14 o 115.575 7.6570  1674.37    213.511  1674.37    213.511  0.0000     0.0000   115.575 7.6570  ?       ?       0.000000       7.656975 
1 1 1 -21 -3  15 o 125.610 7.9077  1981.46    239.781  1981.46    239.781  0.0000     0.0000   125.610 7.9077  ?       ?       0.000000       7.907670 
1 1 1 -21 -3  16 o 32.763  9.7553  138.999    83.328   211.688    103.485  4.9634     140.524  39.927  10.531  27.215  11.726  12.71254       15.76053 
1 1 1 -21 -3  17 o 103.442 4.2221  1310.36    105.972  1393.40    153.091  1233.96    146.839  106.017 5.9756  99.703  6.0990  6.313942       8.538522 
1 1 1 -21 -3  18 o 72.219  4.3304  641.446    75.532   858.748    119.456  496.695    97.496   83.130  5.9618  62.961  6.4741  20.16915       8.800976 
1 1 1 -21 -3  19 o 9.8757  4.8912  -101.2279  43.875   -98.3623   72.333   -102.8960  55.187   14.725  7.0579  11.835  5.7865  2.889977       9.126758 
1 1 1 -21 -3  20 o 82.973  4.3122  846.602    86.516   886.025    129.462  814.789    116.299  84.228  6.3820  80.900  5.9668  3.328766       8.736855 
1 1 1 -21 -3  21 f 67.454  4.5887  561.665    74.657   714.566    112.396  440.937    99.873   75.624  6.1792  58.983  7.1226  16.64127       9.429478 
1 1 1 -21 -3  22 o 37.321  9.8158  185.997    90.076   196.379    189.895  182.983    102.320  39.885  14.776  36.977  10.757  2.908092       18.27658 
1 1 1 -21 -3  23 o 67.562  7.3001  579.964    117.770  603.585    220.718  570.563    139.250  65.094  14.360  66.312  8.8772  -1.217636      16.88219 
1 1 1 -21 -3  24 o 114.978 6.2574  1654.35    173.913  2138.41    307.532  1426.77    210.871  127.856 9.9924  105.532 8.3022  22.32482       12.99131 
1 1 1 -21 -3  25 f 18.341  6.9995  30.686     43.317   26.377     85.376   32.180     50.267   22.774  9.4373  19.341  7.4987  3.432785       12.05377 
1 1 1 -21 -3  26 o 28.360  7.9699  105.807    57.120   0.0000     0.0000   105.807    57.120   ?       ?       28.360  7.9699  0.000000       7.969912 
1 1 1 -21 -3  27 o 14.409  6.5143  -23.2811   48.673   0.0000     0.0000   -23.2811   48.673   ?       ?       14.409  6.5143  0.000000       6.514350 
1 1 1 -21 -3  28 o 54.091  6.1765  372.141    79.611   0.0000     0.0000   372.141    79.611   ?       ?       54.091  6.1765  0.000000       6.176515 
1 1 1 -21 -3  29 o 84.401  4.3080  882.885    87.930   1059.89    134.818  751.858    115.996  91.548  6.1042  76.959  6.2663  14.58946       8.748023 
1 1 1 -21 -3  30 o 47.642  5.0863  286.103    57.888   280.129    91.800   290.046    74.587   45.636  8.6058  47.354  6.6767  -1.717602      10.89215 
1 1 1 -21 -3  31 o 8.1053  4.0093  -65.2663   29.140   -72.8860   43.061   -58.8292   39.579   10.684  5.1987  10.627  5.1254  0.5659199E-01  7.300476 
1 1 1 -21 -3  32 o 25.345  6.4735  85.032     39.953   90.383     55.073   79.088     58.050   26.082  7.9682  24.809  8.2487  1.272501       11.46877 
1 1 1 -21 -3  33 o 64.171  4.1462  512.902    64.213   406.282    90.327   621.837    91.303   55.851  6.8061  70.065  5.4125  -14.21409      8.695848 
1 1 1 -21 -3  34 o 56.834  5.8613  414.228    79.668   441.818    96.621   355.633    140.807  58.072  6.9980  48.670  11.999  9.402172       13.89092 
1 1 1 -21 -3  35 o 23.110  7.7098  68.587     50.697   43.307     58.319   146.783    102.567  20.883  8.0824  32.195  10.965  -11.31258      13.62212 
1 1 1 -21 -3  36 o 34.356  7.2562  159.285    58.592   178.335    68.312   106.267    113.963  36.046  8.0176  29.281  11.308  6.765284       13.86191 
1 1 1 -21 -3  37 o 55.186  4.4619  383.080    59.236   416.766    83.876   349.561    83.669   56.675  6.2004  51.482  6.8694  5.193336       9.253865 
1 1 1 -21 -3  38 o 54.867  4.8963  381.812    64.499   449.447    95.524   325.139    87.442   58.396  6.8732  49.154  7.5749  9.242115       10.22837 
1 1 1 -21 -3  39 o 16.716  6.9494  14.355     46.509   79.494     71.550   -33.3065   61.204   25.069  9.1048  15.519  7.1261  9.549773       11.56194 
1 1 1 -21 -3  40 o 22.444  8.1412  61.584     57.181   -192.9279  168.456  94.728     60.790   21.298  10.345  26.269  8.4221  -4.970348      13.33992 
1 1 1 -21 -3  41 o 23.151  8.5981  65.170     64.381   220.001    170.855  39.547     69.505   36.421  13.901  21.265  8.6299  15.15555       16.36182 
1 1 1 -21 -3  42 o 26.328  8.8250  96.538     66.424   47.004     175.713  104.797    71.748   28.141  12.577  27.258  9.1716  0.8827209      15.56625 
1 1 1 -21 -3  43 o 71.713  4.5179  653.114    78.211   748.493    113.522  566.937    107.907  75.274  6.2725  64.848  6.9671  10.42645       9.374661 
1 1 1 -21 -3  44 o 50.694  5.2537  334.166    63.685   337.891    92.739   330.841    87.607   48.873  8.1044  48.706  7.6664  0.1665459      11.15596 
1 1 1 -21 -3  45 o 27.086  7.3889  104.374    49.908   134.876    76.483   81.755     65.863   29.772  9.4365  24.339  8.7502  5.432768       12.86912 
1 1 1 -21 -3  46 o ?       ?       -159.0930  36.433   -59.6761   60.495   -215.6753  45.638   13.798  6.5699  ?       ?       0.000000       6.569926 
1 1 1 -21 -3  47 o 42.788  7.1684  257.731    71.791   102.371    96.737   448.193    107.109  26.433  10.360  55.546  8.1932  -29.11245      13.20799 
1 1 1 -21 -3  48 o 13.567  6.3880  -42.5999   54.232   -38.4557   69.863   -48.8833   86.026   15.836  7.3894  17.169  8.0719  -1.333254      10.94342 
1 1 1 -21 -3  49 f 21.624  8.0991  62.543     57.361   37.600     74.245   99.479     90.348   20.537  8.6744  25.738  10.033  -5.201738      13.26266 
1 1 1 -21 -3  50 f 58.987  7.3816  497.329    103.337  514.543    119.989  447.902    203.325  58.337  8.7464  42.612  15.368  15.72537       17.68257 
1 1 1 -21 -3  51 o 35.115  9.1977  195.570    79.302   216.530    88.661   111.719    177.333  36.378  9.8171  27.848  12.526  8.529934       15.91491 
1 1 1 -21 -3  52 o 26.186  8.6648  104.983    64.083   123.089    82.953   78.184     100.919  27.655  9.8330  24.513  10.218  3.142326       14.18057 
1 1 1 -21 -3  53 o 30.203  8.2838  139.096    62.531   122.176    78.149   169.206    104.254  27.647  9.5659  31.017  11.024  -3.369089      14.59567 
1 1 1 -21 -3  54 o 19.596  9.0324  -14.4587   99.605   111.163    183.803  -66.6878   118.516  27.763  12.595  19.200  9.1568  8.562965       15.57203 
1 1 1 -21 -3  55 o 37.654  11.814  270.371    120.146  278.365    237.935  267.635    139.196  32.429  14.555  35.797  12.736  -3.367245      19.34065 
1 1 1 -21 -3  56 o 19.682  9.1253  -10.1830   103.893  -94.4979   211.936  16.487     119.197  22.768  11.175  21.624  9.9351  1.144150       14.95258 
1 1 1 -21 -2  1  o 70.514  5.5312  618.856    93.877   546.906    155.727  659.928    117.659  64.291  10.333  72.383  6.7781  -8.092209      12.35750 
1 1 1 -21 -2  2  o 34.978  5.8519  155.402    47.911   559.405    105.078  49.369     53.832   66.718  6.5764  21.639  7.8916  45.07909       10.27260 
1 1 1 -21 -2  3  o 71.787  3.7631  632.118    65.318   615.913    92.721   648.083    92.030   70.431  5.4686  72.311  5.2817  -1.880722      7.602761 
1 1 1 -21 -2  4  o 37.690  4.6163  176.917    41.334   175.310    58.815   178.485    58.102   36.990  6.8037  37.371  6.6513  -0.3814735     9.514747 
1 1 1 -21 -2  5  o 97.569  5.3362  1176.15    125.853  1181.11    206.301  1173.20    158.831  96.241  8.9364  96.907  6.7979  -0.6658478     11.22810 
1 1 1 -21 -2  6  o 129.031 4.1433  2038.07    129.719  2102.83    184.870  1975.26    182.063  130.492 5.8387  126.435 5.9346  4.056923       8.325264 
1 1 1 -21 -2  7  o 92.619  4.1753  1049.98    93.831   980.560    131.670  1121.61    133.749  88.850  6.1453  95.163  5.8204  -6.312843      8.464109 
1 1 1 -21 -2  8  o 113.366 4.2381  1573.19    116.579  1432.04    164.975  1713.98    164.761  107.388 6.3597  117.887 5.7601  -10.49834      8.580434 
1 1 1 -21 -2  9  o 49.765  5.3718  308.095    63.836   339.025    87.197   272.372    93.710   51.772  7.1306  45.838  8.7447  5.933922       11.28334 
1 1 1 -21 -2  10 o 91.494  4.1342  1024.04    91.780   1053.29    130.738  995.622    128.874  92.228  5.8728  89.631  5.9598  2.597450       8.367069 
1 1 1 -21 -2  11 o 74.010  4.3342  672.816    77.494   571.545    111.001  769.104    108.236  67.545  6.8684  78.807  5.6988  -11.26206      8.924742 
1 1 1 -21 -2  12 o 91.705  4.5775  1030.64    101.856  987.674    164.307  1057.46    129.807  88.651  7.7154  92.432  5.8175  -3.780479      9.662856 
1 1 1 -21 -2  13 o 92.889  7.5991  1082.77    169.775  1082.77    169.775  0.0000     0.0000   92.889  7.5991  ?       ?       0.000000       7.599109 
1 1 1 -21 -2  14 o 24.964  10.041  42.112     93.178   42.112     93.178   0.0000     0.0000   24.964  10.041  ?       ?       0.000000       10.04054 
1 1 1 -21 -2  15 o 120.876 7.7437  1832.59    225.926  1832.59    225.926  0.0000     0.0000   120.876 7.7437  ?       ?       0.000000       7.743749 
1 1 1 -21 -2  16 o 103.607 4.2062  1314.10    105.740  1028.07    150.324  1594.22    148.765  90.720  6.8803  113.790 5.3881  -23.07030      8.738989 
1 1 1 -21 -2  17 o 108.883 4.0296  1450.63    106.461  1606.88    156.889  1317.28    144.939  114.125 5.6656  103.131 5.8158  10.99466       8.119267 
1 1 1 -21 -2  18 o 83.018  4.1505  844.007    83.605   1180.50    127.256  588.466    110.897  97.729  5.3873  68.487  6.7616  29.24164       8.645380 
1 1 1 -21 -2  19 o 24.925  7.7608  77.860     51.962   31.311     84.035   106.675    66.118   23.199  9.4607  28.852  8.7122  -5.653440      12.86104 
1 1 1 -21 -2  20 o 73.031  4.5347  657.407    79.960   506.246    121.928  771.473    105.916  62.895  8.1834  78.832  5.5732  -15.93730      9.900909 
1 1 1 -21 -2  21 o 11.439  5.7220  -180.2272  66.532   -44.9478   162.171  -207.6046  72.955   26.787  12.020  11.752  5.8948  15.03546       13.38741 
1 1 1 -21 -2  22 o 77.570  6.6474  756.266    123.906  499.882    224.582  868.458    148.563  58.593  15.542  82.794  7.4758  -24.20039      17.24621 
1 1 1 -21 -2  23 o 97.563  6.3688  1192.17    149.940  1075.04    261.687  1249.41    182.949  88.833  12.485  99.205  7.6597  -10.37152      14.64767 
1 1 1 -21 -2  24 o 24.971  7.9118  78.663     53.768   53.150     85.356   95.447     69.229   24.750  9.7216  27.528  9.0011  -2.777891      13.24876 
1 1 1 -21 -2  25 o 42.692  6.2995  232.487    63.294   264.131    102.913  213.235    80.271   44.226  9.8436  40.109  8.5116  4.117054       13.01319 
1 1 1 -21 -2  26 o 27.587  8.8352  97.783     66.913   0.0000     0.0000   97.783     66.913   ?       ?       27.587  8.8352  0.000000       8.835213 
1 1 1 -21 -2  27 o 79.231  6.0811  791.477    116.015  0.0000     0.0000   791.477    116.015  ?       ?       79.231  6.0811  0.000000       6.081057 
1 1 1 -21 -2  28 o 65.262  5.8294  537.737    91.339   853.506    227.979  477.358    99.689   77.548  12.544  61.007  6.8531  16.54140       14.29418 
1 1 1 -21 -2  29 o 29.983  6.9625  118.828    49.682   203.209    81.104   68.147     62.856   38.693  8.8331  24.024  8.5575  14.66912       12.29857 
1 1 1 -21 -2  30 o 18.107  6.4234  37.034     35.379   59.693     49.921   14.169     50.147   22.192  7.6473  17.432  7.2289  4.760542       10.52320 
1 1 1 -21 -2  31 o 49.171  4.5638  303.025    53.830   282.309    76.884   322.945    75.393   46.448  7.0428  50.058  6.3500  -3.610001      9.482766 
1 1 1 -21 -2  32 o 78.281  4.0488  760.862    76.641   849.846    109.336  674.902    107.463  81.949  5.5310  72.630  6.1558  9.318848       8.275609 
1 1 1 -21 -2  33 o 54.404  4.3133  370.191    56.472   297.901    80.228   441.183    79.505   47.511  7.1836  58.823  5.6394  -11.31191      9.132760 
1 1 1 -21 -2  34 o 61.686  5.8109  487.245    85.950   532.804    104.441  391.642    151.292  63.901  6.8424  50.753  12.393  13.14798       14.15637 
1 1 1 -21 -2  35 o 40.053  6.7460  212.096    63.231   165.499    74.087   337.070    121.330  34.382  8.8334  48.156  10.665  -13.77362      13.84816 
1 1 1 -21 -2  36 o 29.437  6.2980  115.128    43.625   35.348     60.034   204.385    63.500   20.267  8.0917  39.177  6.9338  -18.90951      10.65616 
1 1 1 -21 -2  37 o 19.504  7.2024  42.292     45.048   -142.0849  74.718   147.582    56.463   13.315  6.5549  33.001  7.2495  -19.68631      9.773488 
1 1 1 -21 -2  38 o 37.242  6.1206  182.204    53.387   137.288    81.966   215.299    70.357   31.009  9.7623  39.821  7.5581  -8.812952      12.34612 
1 1 1 -21 -2  39 o 27.554  7.1992  103.740    48.663   66.066     76.505   129.340    63.065   24.103  9.2772  30.381  8.3136  -6.277729      12.45721 
1 1 1 -21 -2  40 o 27.047  8.9266  101.258    68.030   304.838    173.200  64.121     73.975   41.846  14.249  23.691  9.1214  18.15502       16.91856 
1 1 1 -21 -2  41 o 36.618  8.6147  191.332    75.263   -310.9815  180.664  296.814    82.789   19.845  9.8455  46.584  7.5854  -26.73966      12.42867 
1 1 1 -21 -2  42 o 20.594  7.5880  50.587     49.952   62.084     78.347   42.713     64.840   23.550  9.2936  20.990  8.3992  2.559181       12.52663 
1 1 1 -21 -2  43 o 12.576  5.8703  -34.4982   44.152   -66.3774   73.606   -16.5801   55.183   15.451  7.3246  15.410  6.9543  0.4104900E-01  10.10007 
1 1 1 -21 -2  44 o 26.906  7.4822  102.722    50.620   131.237    78.172   82.131     66.429   29.483  9.5609  24.482  8.7893  5.000717       12.98700 
1 1 1 -21 -2  45 o 35.574  6.4853  173.375    53.917   90.264     82.295   235.878    71.367   25.505  9.6684  40.923  7.4622  -15.41798      12.21318 
1 1 1 -21 -2  46 o 25.357  8.0777  93.540     55.988   179.085    83.058   22.297     75.797   33.715  9.6581  19.936  8.6008  13.77929       12.93266 
1 1 1 -21 -2  47 o 23.203  8.4531  75.058     61.742   2.3349     78.489   193.100    99.999   18.869  8.4217  33.722  10.801  -14.85264      13.69619 
1 1 1 -21 -2  48 o 36.327  8.0167  195.628    68.768   129.892    89.340   291.205    107.726  28.285  10.189  41.739  10.613  -13.45430      14.71217 
1 1 1 -21 -2  49 o 46.956  7.8030  321.488    85.782   284.766    101.165  415.454    161.828  41.719  10.102  45.161  13.628  -3.442047      16.96401 
1 1 1 -21 -2  50 o 19.084  8.1963  23.975     68.232   57.375     76.573   -104.7689  150.336  22.048  9.0156  20.421  9.8838  1.626860       13.37794 
1 1 1 -21 -2  51 o 10.415  5.1712  -107.1047  50.199   -47.7604   58.825   -266.1161  96.291   13.928  6.5867  12.782  6.4565  1.146094       9.223390 
1 1 1 -21 -2  52 o 36.485  7.6528  194.874    65.586   164.937    82.466   246.403    108.191  31.731  9.7599  37.446  11.108  -5.714748      14.78670 
1 1 1 -21 -2  53 o 22.394  10.052  27.482     113.527  -201.0307  211.752  119.662    134.490  21.837  10.803  27.533  11.655  -5.696243      15.89124 
1 1 1 -21 -2  54 o 28.412  11.180  140.373    113.085  76.961     223.795  162.116    131.045  27.318  12.897  29.596  11.906  -2.278666      17.55213 
1 1 1 -21 -2  55 o 26.884  11.357  121.237    127.277  0.0000     0.0000   121.237    127.277  ?       ?       26.884  11.357  0.000000       11.35667 
1 1 1 -21 -1  1  o 34.047  6.5360  148.930    52.032   232.136    101.924  119.602    60.512   41.621  10.177  30.248  8.0882  11.37348       12.99980 
1 1 1 -21 -1  2  o 129.585 4.1111  2057.88    129.264  1934.29    182.113  2183.37    183.510  124.924 6.0080  132.868 5.6921  -7.944107      8.276269 
1 1 1 -21 -1  3  f 49.497  4.2118  302.351    50.103   264.203    68.327   346.721    73.689   45.743  6.3253  52.636  5.8697  -6.893009      8.629131 
1 1 1 -21 -1  4  o 82.220  4.0350  827.470    80.497   846.830    116.952  810.042    110.963  82.571  5.8757  80.806  5.6959  1.765663       8.183333 
1 1 1 -21 -1  5  o 85.223  4.0633  888.843    84.023   1024.10    122.743  769.567    115.262  90.965  5.5881  78.656  6.0867  12.30949       8.262879 
1 1 1 -21 -1  6  o 85.885  4.5017  906.570    93.485   1109.05    153.960  788.320    117.658  94.282  6.7751  79.622  6.1375  14.66084       9.141696 
1 1 1 -21 -1  7  o 118.127 4.2091  1707.89    120.644  1821.44    172.006  1597.95    169.258  121.499 5.8345  113.533 6.1673  7.966240       8.489852 
1 1 1 -21 -1  8  o 8.8495  4.4682  -151.5542  45.843   -199.0959  61.193   -90.7431   69.208   10.269  5.1823  14.570  6.9620  -4.300707      8.679017 
1 1 1 -21 -1  9  o 94.621  4.2761  1095.84    98.175   1025.38    137.118  1169.95    140.629  90.872  6.2568  97.184  5.9930  -6.311516      8.663918 
1 1 1 -21 -1  10 f 48.671  5.5307  295.190    64.155   322.619    89.784   266.573    91.705   50.363  7.5823  45.381  8.6440  4.982067       11.49820 
1 1 1 -21 -1  11 o 12.062  5.7579  -61.9083   47.087   -53.4384   67.997   -69.7124   65.270   16.018  7.4110  14.833  6.9911  1.185035       10.18814 
1 1 1 -21 -1  12 o 42.312  10.566  237.382    108.143  237.382    108.143  0.0000     0.0000   42.312  10.566  ?       ?       0.000000       10.56550 
1 1 1 -21 -1  13 o 98.367  7.6810  1214.17    181.876  1214.17    181.876  0.0000     0.0000   98.367  7.6810  ?       ?       0.000000       7.681015 
1 1 1 -21 -1  14 f 23.878  9.9365  22.800     95.218   22.800     95.218   0.0000     0.0000   23.878  9.9365  ?       ?       0.000000       9.936471 
1 1 1 -21 -1  15 o 122.880 4.3649  1849.39    130.141  1808.86    184.142  1889.85    183.954  120.752 6.3068  123.648 6.1314  -2.897049      8.795943 
1 1 1 -21 -1  16 o 77.025  4.1358  728.143    77.012   622.967    117.232  807.989    102.144  70.474  6.9461  80.879  5.2329  -10.40553      8.696671 
1 1 1 -21 -1  17 o 89.940  4.6068  994.962    100.197  1550.23    174.337  721.084    122.438  111.633 6.4640  75.915  6.7163  35.71761       9.321552 
1 1 1 -21 -1  18 o 66.257  7.3698  554.634    116.475  727.907    193.014  455.399    146.068  74.362  11.032  58.705  10.647  15.65754       15.33135 
1 1 1 -21 -1  19 o 52.686  5.5301  346.237    69.641   400.254    118.475  317.720    86.084   55.503  9.1136  49.931  7.3230  5.572308       11.69121 
1 1 1 -21 -1  20 o 144.296 5.0921  2565.58    178.284  2743.36    228.104  2286.50    285.805  148.591 6.3267  133.907 8.8462  14.68387       10.87579 
1 1 1 -21 -1  21 o 54.182  7.9190  377.102    101.036  268.484    204.992  411.955    116.120  44.493  15.487  56.336  8.7811  -11.84282      17.80338 
1 1 1 -21 -1  22 f 71.547  6.9160  646.365    118.566  660.684    227.932  641.053    138.827  68.381  14.202  70.676  8.2507  -2.295250      16.42445 
1 1 1 -21 -1  23 o 67.639  7.1349  580.891    115.330  531.961    224.352  598.465    134.456  60.258  15.313  68.144  8.3035  -7.885742      17.41917 
1 1 1 -21 -1  24 o 22.593  8.0916  57.073     56.270   60.346     97.712   55.449     68.828   26.289  10.377  23.484  8.8565  2.804613       13.64288 
1 1 1 -21 -1  25 o 85.409  6.0069  915.193    123.692  0.0000     0.0000   915.193    123.692  ?       ?       85.409  6.0069  0.000000       6.006865 
1 1 1 -21 -1  26 o 96.569  5.8930  1169.77    137.421  0.0000     0.0000   1169.77    137.421  ?       ?       96.569  5.8930  0.000000       5.892990 
1 1 1 -21 -1  27 o 46.203  6.9844  276.009    75.858   286.150    196.419  274.231    82.238   43.969  15.168  45.770  7.6768  -1.801620      17.00010 
1 1 1 -21 -1  28 o 35.058  6.9409  161.136    56.955   130.520    85.906   185.148    76.078   31.232  10.012  37.032  8.6272  -5.799530      13.21600 
1 1 1 -21 -1  29 o 45.806  4.9506  264.071    54.148   224.500    72.802   313.065    81.008   41.222  7.5571  49.104  6.9969  -7.881672      10.29883 
1 1 1 -21 -1  30 o 64.144  4.3288  512.117    66.979   521.785    91.512   500.963    98.297   64.039  5.9577  62.419  6.5898  1.620232       8.883666 
1 1 1 -21 -1  31 f 73.610  4.2269  673.862    75.179   596.641    103.414  760.417    109.485  68.224  6.3189  77.348  5.8776  -9.124382      8.629842 
1 1 1 -21 -1  32 f 76.842  4.2392  735.198    78.734   734.606    109.112  735.841    113.724  75.865  5.9758  75.761  6.2420  0.1045151      8.641335 
1 1 1 -21 -1  33 o 79.963  5.4974  811.216    106.014  783.549    129.997  866.149    183.178  77.558  6.9827  79.129  9.7465  -1.570892      11.98971 
1 1 1 -21 -1  34 o 119.849 5.7659  1825.85    167.675  1742.18    212.120  1965.21    273.756  114.906 7.6518  119.494 9.5208  -4.587700      12.21454 
1 1 1 -21 -1  35 o 70.566  5.5567  635.224    94.373   594.128    114.223  723.618    167.519  67.203  7.1131  71.812  9.8753  -4.609680      12.17030 
1 1 1 -21 -1  36 o 32.201  6.2613  137.174    47.160   194.942    60.674   49.013     74.955   38.302  6.7766  22.743  9.0536  15.55929       11.30883 
1 1 1 -21 -1  37 o 11.415  5.5568  -81.2780   49.341   -9.3517    65.221   -177.5288  75.447   17.503  7.7520  12.511  6.2325  4.991865       9.946742 
1 1 1 -21 -1  38 o 23.945  8.0711  75.077     55.563   78.582     76.259   71.112     81.123   25.227  9.3600  24.849  9.5560  0.3782291      13.37635 
1 1 1 -21 -1  39 o 16.989  7.2467  8.0510     52.682   -54.6503   72.003   80.291     77.286   15.946  7.4608  25.343  9.4188  -9.396773      12.01573 
1 1 1 -21 -1  40 o 25.925  10.076  80.769     90.926   62.368     170.221  88.116     107.556  28.826  12.655  27.228  10.843  1.597971       16.66495 
1 1 1 -21 -1  41 o 41.832  9.8299  259.506    98.086   677.637    192.984  113.869    113.894  64.860  12.717  28.986  11.274  35.87324       16.99481 
1 1 1 -21 -1  42 o 18.748  7.6269  28.573     54.445   -86.8129   73.932   165.291    80.477   14.755  7.0887  33.261  9.4999  -18.50673      11.85317 
1 1 1 -21 -1  43 o 30.112  7.9984  130.267    59.428   51.626     84.757   206.317    83.349   22.951  9.4465  37.154  9.2745  -14.20350      13.23824 
1 1 1 -21 -1  44 o 17.001  7.2756  10.984     53.423   -19.8794   72.207   48.311     79.409   17.295  7.8647  22.200  9.1412  -4.904928      12.05884 
1 1 1 -21 -1  45 o 27.573  8.4063  112.406    61.341   105.737    83.537   120.211    90.363   26.757  9.8196  28.044  10.225  -1.286833      14.17652 
1 1 1 -21 -1  46 o 26.663  8.3921  105.808    60.577   116.441    77.235   88.812     97.649   27.522  9.5104  25.540  10.276  1.981638       14.00187 
1 1 1 -21 -1  47 o 33.593  8.3605  170.080    67.876   169.575    87.905   170.825    106.820  32.094  10.111  31.387  11.158  0.7070999      15.05777 
1 1 1 -21 -1  48 o 12.282  5.9376  -69.9593   53.874   -88.3114   65.817   -32.6948   93.787   13.304  6.4630  18.491  8.6062  -5.187479      10.76273 
1 1 1 -21 -1  49 o 19.701  8.2945  33.334     67.529   17.600     78.210   79.429     133.865  19.531  8.5761  25.628  11.237  -6.096441      14.13605 
1 1 1 -21 -1  50 o 16.270  7.3922  -13.7382   63.619   -50.1087   73.082   100.050    129.266  15.628  7.3756  26.473  11.323  -10.84492      13.51332 
1 1 1 -21 -1  51 o 34.450  8.1819  178.684    67.375   201.336    86.299   143.326    107.821  35.123  9.7703  28.974  11.047  6.149042       14.74742 
1 1 1 -21 -1  52 o 30.336  8.3757  140.801    63.679   54.070     80.184   288.910    104.783  22.031  9.1390  41.677  10.396  -19.64635      13.84202 
1 1 1 -21 -1  53 o 23.457  10.508  41.842     123.382  0.0000     0.0000   41.842     123.382  ?       ?       23.457  10.508  0.000000       10.50782 
1 1 1 -21 -1  54 o 27.721  11.773  131.422    137.979  0.0000     0.0000   131.422    137.979  ?       ?       27.721  11.773  0.000000       11.77342 
1 1 1 -21 -1  55 o 43.718  11.679  358.928    126.246  315.842    251.909  373.379    145.889  32.353  14.704  42.122  12.986  -9.768463      19.61695 
1 1 1 -21 0   1  o 61.815  3.9346  469.814    58.708   473.524    80.024   465.490    86.393   61.703  5.3994  61.026  5.9084  0.6765366      8.003926 
1 1 1 -21 0   2  o 85.709  3.8599  898.968    80.271   832.922    111.519  969.979    115.635  81.916  5.6452  88.505  5.4106  -6.589600      7.819359 
1 1 1 -21 0   3  o ?       ?       -202.7315  15.662   -228.1764  37.558   -197.3751  17.232   ?       ?       ?       ?       0.000000       ?        
1 1 1 -21 0   4  o 130.700 4.2168  2092.25    133.728  2233.48    191.126  1956.80    187.176  134.449 5.8586  125.737 6.1351  8.712822       8.483116 
1 1 1 -21 0   5  o 63.533  4.6929  497.897    71.832   305.757    96.557   736.026    107.493  48.672  8.4844  77.016  5.7947  -28.34372      10.27442 
1 1 1 -21 0   6  o 58.433  4.9338  422.191    69.299   433.022    92.272   408.177    104.956  58.762  6.5848  56.646  7.8469  2.116268       10.24370 
1 1 1 -21 0   7  o 62.166  4.4054  475.647    66.020   567.325    94.313   387.556    92.449   67.586  5.8075  55.439  7.0307  12.14730       9.119071 
1 1 1 -21 0   8  o 86.833  4.2655  922.852    89.871   905.961    123.677  941.750    130.817  85.471  6.0016  87.076  6.2328  -1.605927      8.652567 
1 1 1 -21 0   9  f 62.641  4.7566  483.914    71.757   437.506    96.016   542.627    107.997  59.026  6.8302  65.804  6.8650  -6.777554      9.684002 
1 1 1 -21 0   10 o 18.984  7.5385  24.985     51.848   94.914     66.676   -81.9780   82.462   27.642  8.8160  16.860  7.9191  10.78140       11.85054 
1 1 1 -21 0   11 o ?       ?       -329.3289  65.924   -329.3289  65.924   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -21 0   12 o 55.109  8.9261  391.113    115.275  391.113    115.275  0.0000     0.0000   55.109  8.9261  ?       ?       0.000000       8.926114 
1 1 1 -21 0   13 o 89.508  7.6119  1005.94    163.749  1005.94    163.749  0.0000     0.0000   89.508  7.6119  ?       ?       0.000000       7.611900 
1 1 1 -21 0   14 o 53.003  5.6369  349.885    71.381   351.384    110.147  348.801    93.726   52.112  9.0388  52.381  7.5959  -0.2690468     11.80664 
1 1 1 -21 0   15 o 58.703  4.5626  424.944    64.478   499.321    101.810  375.134    83.316   63.095  6.7551  54.694  6.3990  8.400951       9.304742 
1 1 1 -21 0   16 o 39.661  10.439  208.849    101.831  159.592    215.380  223.030    115.563  39.511  15.465  40.867  11.283  -1.356037      19.14393 
1 1 1 -21 0   17 o 131.112 4.3691  2107.02    138.995  2481.72    199.851  1755.96    193.444  141.739 5.8110  118.681 6.7454  23.05792       8.903304 
1 1 1 -21 0   18 o ?       ?       -244.9445  40.780   -129.4224  73.881   -295.5616  48.905   13.901  6.7743  ?       ?       0.000000       6.774323 
1 1 1 -21 0   19 o 82.901  4.4223  845.679    88.633   928.068    133.998  781.593    118.179  86.190  6.4542  79.148  6.2034  7.042053       8.952039 
1 1 1 -21 0   20 o 70.382  7.1785  625.840    120.876  140.863    247.918  777.081    138.446  39.627  16.215  78.420  7.3621  -38.79311      17.80824 
1 1 1 -21 0   21 o 23.128  9.7689  15.545     94.159   0.0000     0.0000   15.545     94.159   ?       ?       23.128  9.7689  0.000000       9.768881 
1 1 1 -21 0   22 o 58.926  7.7877  445.451    108.619  572.984    226.301  407.275    123.813  62.932  15.027  55.580  9.5235  7.351955       17.79092 
1 1 1 -21 0   23 o 113.232 4.3591  1577.37    119.767  1675.65    175.604  1491.89    163.766  115.694 6.2790  109.187 6.2071  6.507103       8.829132 
1 1 1 -21 0   24 o 30.609  9.2854  123.221    74.978   0.0000     0.0000   123.221    74.978   ?       ?       30.609  9.2854  0.000000       9.285428 
1 1 1 -21 0   25 o 26.494  9.0089  86.601     69.232   0.0000     0.0000   86.601     69.232   ?       ?       26.494  9.0089  0.000000       9.008921 
1 1 1 -21 0   26 o 55.193  6.3592  387.540    83.604   279.276    218.325  406.144    90.503   43.851  15.908  56.355  6.7531  -12.50447      17.28185 
1 1 1 -21 0   27 o 39.403  6.7961  201.621    62.628   286.390    96.197   139.261    82.508   46.205  8.9034  32.117  9.7401  14.08794       13.19619 
1 1 1 -21 0   28 o 9.6730  4.7119  -62.3396   35.639   -77.0110   45.962   -40.2185   56.438   11.080  5.3868  14.652  6.7693  -3.571656      8.651068 
1 1 1 -21 0   29 o 97.698  4.1191  1179.91    97.644   1115.09    135.773  1249.36    140.529  93.840  5.9943  99.445  5.8497  -5.605331      8.375584 
1 1 1 -21 0   30 o 15.960  6.5879  12.382     41.373   -57.7078   52.014   133.108    68.264   12.977  6.1536  31.225  8.6909  -18.24789      10.64884 
1 1 1 -21 0   31 o 28.665  6.8895  109.556    47.325   92.874     61.666   133.458    73.816   26.495  8.4813  31.121  9.1603  -4.626373      12.48378 
1 1 1 -21 0   32 o 16.515  6.6879  17.990     41.648   55.016     53.984   -36.4507   65.459   21.799  7.9099  16.105  7.3858  5.694054       10.82208 
1 1 1 -21 0   33 o 48.645  6.2632  306.937    72.209   326.936    86.007   259.176    132.916  49.644  7.3634  41.222  12.331  8.422092       14.36246 
1 1 1 -21 0   34 o 38.883  7.0192  201.365    63.786   173.814    74.794   274.851    122.151  35.275  8.7746  42.809  11.510  -7.533527      14.47361 
1 1 1 -21 0   35 o 17.379  6.8839  24.964     43.136   -49.0787   53.736   159.119    72.332   13.596  6.3882  33.691  8.7647  -20.09470      10.84573 
1 1 1 -21 0   36 o 74.243  4.6529  693.615    83.396   608.377    115.569  786.225    120.462  67.907  7.1198  77.820  6.4374  -9.913124      9.598568 
1 1 1 -21 0   37 o 45.376  6.3084  269.770    67.578   289.979    93.815   247.976    97.425   45.590  8.7996  41.412  9.8410  4.177887       13.20147 
1 1 1 -21 0   38 o 43.347  15.236  335.909    198.633  9.2499     250.485  889.354    326.040  30.886  14.267  65.112  19.276  -34.22580      23.98132 
1 1 1 -21 0   39 o 54.345  8.4374  409.089    107.649  72.920     203.652  539.440    126.814  30.720  13.648  62.362  8.6105  -31.64112      16.13696 
1 1 1 -21 0   40 o 24.669  9.7134  69.064     85.405   115.885    171.794  53.694     98.430   31.008  13.152  24.408  10.125  6.599630       16.59775 
1 1 1 -21 0   41 o 33.379  7.6479  155.878    60.613   204.024    83.167   101.330    88.524   37.278  9.2409  27.216  10.087  10.06178       13.68015 
1 1 1 -21 0   42 o 25.910  8.2865  94.880     58.875   143.780    78.404   31.653     89.153   30.988  9.5141  22.052  9.4170  8.936485       13.38647 
1 1 1 -21 0   43 o 14.182  6.6080  -38.1234   55.541   -69.7081   75.682   -1.2606    81.762   15.513  7.3756  19.361  8.6218  -3.848010      11.34617 
1 1 1 -21 0   44 o 20.275  7.9287  45.570     56.569   116.193    74.845   -48.5272   86.393   27.826  9.3675  17.498  8.1823  10.32875       12.43781 
1 1 1 -21 0   45 o 16.726  7.2397  7.8816     54.057   -21.0558   73.064   42.877     80.349   17.189  7.8531  21.653  9.0783  -4.463545      12.00363 
1 1 1 -21 0   46 f 13.924  6.5228  -39.3118   55.325   -44.1344   69.696   -31.0961   90.968   15.607  7.3144  18.445  8.5474  -2.838451      11.24982 
1 1 1 -21 0   47 o 44.336  6.9732  276.690    72.538   281.159    96.642   270.923    109.779  42.095  9.6657  39.691  11.012  2.404297       14.65224 
1 1 1 -21 0   48 o 21.079  8.8436  43.679     76.328   114.340    87.865   -173.6379  154.090  26.869  10.032  19.228  9.4554  7.641117       13.78543 
1 1 1 -21 0   49 o 64.037  6.8477  573.683    104.750  512.588    122.269  742.231    203.085  57.912  8.9931  61.501  13.932  -3.588905      16.58254 
1 1 1 -21 0   50 o 50.275  6.0459  344.536    72.274   428.340    94.030   223.546    112.981  54.878  7.2383  35.006  11.501  19.87115       13.58953 
1 1 1 -21 0   51 o 88.614  4.6841  1019.12    100.357  1003.76    134.234  1038.59    151.114  85.382  6.5288  85.524  7.3536  -0.1416626     9.833649 
1 1 1 -21 0   52 o 26.973  11.092  113.509    116.709  53.846     217.261  137.708    138.368  26.973  12.726  28.508  11.930  -1.534998      17.44356 
1 1 1 -21 0   53 o 30.142  11.406  165.543    114.419  -40.5138   228.570  234.443    132.171  24.982  12.115  34.273  12.386  -9.290815      17.32586 
1 1 1 -21 0   54 f 26.561  11.519  112.167    137.382  0.0000     0.0000   112.167    137.382  ?       ?       26.561  11.519  0.000000       11.51895 
1 1 1 -21 1   1  o 136.759 4.2029  2293.08    139.466  1917.56    195.146  2685.11    199.392  124.000 6.5087  147.404 5.5749  -23.40415      8.569882 
1 1 1 -21 1   2  o 47.537  4.6730  280.150    53.204   256.658    76.854   301.769    73.728   44.784  7.3260  48.930  6.3604  -4.145618      9.701806 
1 1 1 -21 1   3  o 70.043  4.0867  602.636    69.153   621.481    98.957   584.649    96.678   70.692  5.8209  68.537  5.8701  2.154930       8.266843 
1 1 1 -21 1   4  f 94.475  4.0188  1092.10    92.126   1173.31    132.031  1015.04    128.608  97.381  5.6115  90.461  5.8913  6.919350       8.136166 
1 1 1 -21 1   5  o 82.535  4.1774  835.900    83.385   792.010    120.126  876.713    115.839  79.771  6.2564  84.125  5.7088  -4.353554      8.469500 
1 1 1 -21 1   6  f 112.863 4.1538  1558.73    113.754  1560.18    162.198  1557.32    159.578  112.253 5.9765  112.185 5.8829  0.6811523E-01  8.386136 
1 1 1 -21 1   7  o 14.443  6.2576  -4.8059    40.469   -92.4882   61.994   60.305     53.422   13.365  6.4384  22.925  7.9103  -9.559831      10.19928 
1 1 1 -21 1   8  o 91.994  4.1122  1035.13    91.789   1074.48    130.939  997.108    128.709  93.175  5.8209  89.705  5.9470  3.469559       8.321631 
1 1 1 -21 1   9  o 58.655  5.5351  427.126    77.845   440.532    95.808   401.084    133.536  59.246  6.7872  55.322  10.328  3.923649       12.35841 
1 1 1 -21 1   10 o 12.316  6.0595  -130.8734  63.546   -130.8734  63.546   0.0000     0.0000   12.316  6.0595  ?       ?       0.000000       6.059493 
1 1 1 -21 1   11 o 61.209  8.4235  477.830    121.790  477.830    121.790  0.0000     0.0000   61.209  8.4235  ?       ?       0.000000       8.423488 
1 1 1 -21 1   12 o 85.505  7.6627  918.871    157.292  918.871    157.292  0.0000     0.0000   85.505  7.6627  ?       ?       0.000000       7.662711 
1 1 1 -21 1   13 o 12.171  5.9922  -130.0850  62.492   -89.5699   70.897   -271.2027  132.316  14.873  7.0901  17.604  8.6773  -2.731239      11.20555 
1 1 1 -21 1   14 o 109.808 4.1182  1475.29    109.725  1625.78    159.590  1340.37    151.106  114.820 5.7283  104.007 6.0133  10.81355       8.304994 
1 1 1 -21 1   15 o 75.685  4.2185  703.435    77.161   815.059    116.594  616.451    102.924  81.017  5.9733  70.367  6.0882  10.64978       8.529124 
1 1 1 -21 1   16 o 90.837  4.0074  1009.60    88.326   1119.73    130.823  917.346    119.735  95.092  5.6961  86.015  5.7704  9.077461       8.108224 
1 1 1 -21 1   17 o 67.754  4.6856  566.269    76.558   706.322    115.198  455.480    102.458  75.212  6.3722  60.036  7.1756  15.17598       9.596604 
1 1 1 -21 1   18 o 39.706  6.4101  200.380    59.654   173.877    91.753   219.787    78.513   36.234  10.072  41.127  8.1558  -4.892296      12.96037 
1 1 1 -21 1   19 o 138.429 6.5221  2384.49    219.067  2276.29    366.118  2444.83    273.412  131.353 11.607  138.994 8.1425  -7.640472      14.17798 
1 1 1 -21 1   20 o 35.949  10.089  172.035    91.591   468.763    208.168  100.803    101.994  57.211  14.862  29.835  10.865  27.37570       18.41008 
1 1 1 -21 1   21 o 66.023  7.2907  553.633    114.849  629.073    236.659  530.393    131.353  66.093  15.089  64.024  8.6792  2.068954       17.40725 
1 1 1 -21 1   22 o 68.982  4.6019  588.545    76.583   583.084    114.420  592.976    103.076  67.799  7.0588  68.696  6.2523  -0.8969040     9.429618 
1 1 1 -21 1   23 o 15.797  7.1685  -30.7153   59.589   0.0000     0.0000   -30.7153   59.589   ?       ?       15.797  7.1685  0.000000       7.168531 
1 1 1 -21 1   24 o 83.203  6.0333  868.991    120.976  0.0000     0.0000   868.991    120.976  ?       ?       83.203  6.0333  0.000000       6.033323 
1 1 1 -21 1   25 f 100.708 6.0634  1274.28    147.474  0.0000     0.0000   1274.28    147.474  ?       ?       100.708 6.0634  0.000000       6.063409 
1 1 1 -21 1   26 o 42.469  6.3859  231.601    63.768   245.982    99.446   221.558    83.101   42.388  9.8557  40.647  8.6893  1.740681       13.13920 
1 1 1 -21 1   27 o 25.848  7.1545  87.942     46.397   132.002    60.304   24.023     72.633   31.417  7.9145  21.049  8.7121  10.36784       11.77031 
1 1 1 -21 1   28 o 50.841  4.8615  324.286    59.241   262.208    79.969   399.789    88.193   44.577  7.6701  55.750  6.6509  -11.17327      10.15208 
1 1 1 -21 1   29 o 64.789  4.3942  522.834    68.670   550.707    95.184   492.580    99.166   65.764  6.0322  61.821  6.7191  3.943081       9.029566 
1 1 1 -21 1   30 o 67.012  4.4179  560.116    71.431   540.098    97.075   583.751    105.484  64.930  6.2385  67.352  6.5370  -2.421814      9.036116 
1 1 1 -21 1   31 o 72.493  4.2864  654.956    75.062   634.377    103.482  677.806    109.044  70.385  6.1202  72.693  6.2427  -2.308296      8.742332 
1 1 1 -21 1   32 o 81.089  5.5286  834.563    108.129  754.334    132.587  993.887    186.843  75.855  7.2935  85.401  9.1598  -9.545265      11.70886 
1 1 1 -21 1   33 o 121.885 5.9620  1894.43    176.323  2009.03    225.266  1713.16    283.315  123.545 7.5508  109.749 10.778  13.79662       13.15997 
1 1 1 -21 1   34 o 71.661  5.6294  655.846    97.097   610.204    117.555  753.833    172.244  68.024  7.2332  73.234  9.9509  -5.210037      12.30201 
1 1 1 -21 1   35 o 33.813  7.4203  155.259    59.209   250.958    87.250   73.568     80.611   42.464  8.7588  25.149  9.5603  17.31525       12.96596 
1 1 1 -21 1   36 o 15.334  6.8439  -13.6146   51.836   7.7941     71.975   -36.6856   74.717   19.416  8.3788  17.216  7.8936  2.199806       11.51149 
1 1 1 -21 1   37 o 11.923  5.7932  -83.5558   52.934   -12.7989   73.374   -160.3529  76.441   18.278  8.1514  13.038  6.4571  5.240009       10.39898 
1 1 1 -21 1   38 o 20.749  8.7190  25.326     74.384   -18.5058   163.922  36.693     83.473   25.710  11.753  22.355  9.3032  3.354837       14.98904 
1 1 1 -21 1   39 o 26.672  10.130  90.685     90.443   162.380    170.677  62.692     106.648  33.362  13.529  25.551  10.565  7.810564       17.16508 
1 1 1 -21 1   40 o 12.677  6.2703  -143.8655  71.205   -175.7066  152.525  -134.9921  80.518   20.217  9.8255  14.132  6.9264  6.085037       12.02147 
1 1 1 -21 1   41 o 13.939  6.4853  -37.3430   53.191   -26.8627   70.463   -51.2261   81.100   16.895  7.7162  17.036  7.9536  -0.1408234     11.08149 
1 1 1 -21 1   42 o 32.735  7.7310  152.228    60.426   94.682     82.852   217.619    88.320   26.196  9.7490  37.936  9.5899  -11.73962      13.67512 
1 1 1 -21 1   43 o 22.967  8.1492  71.049     56.946   32.277     77.834   115.712    83.537   20.968  8.8704  27.856  9.8715  -6.888153      13.27146 
1 1 1 -21 1   44 o 27.439  8.1709  110.542    58.456   126.324    79.304   91.764     86.504   28.665  9.6425  25.647  9.8667  3.017645       13.79602 
1 1 1 -21 1   45 o 12.748  6.0990  -58.9372   53.473   -3.8398    66.397   -160.6297  90.204   17.340  7.7421  14.296  7.0684  3.043847       10.48345 
1 1 1 -21 1   46 o 14.519  6.7565  -33.8522   57.771   -89.8201   71.868   68.356     97.120   14.071  6.8162  23.964  10.009  -9.892690      12.10954 
1 1 1 -21 1   47 o 12.517  6.0290  -65.8054   54.327   -67.5267   68.144   -62.8031   89.995   14.359  6.8738  16.987  8.0664  -2.628587      10.59791 
1 1 1 -21 1   48 o 13.520  6.5093  -71.8163   63.150   -92.9905   72.318   -3.8319    129.583  13.958  6.7793  22.083  10.222  -8.125018      12.26560 
1 1 1 -21 1   49 o 18.335  8.0248  12.953     67.992   -42.0806   78.040   186.327    138.515  16.515  7.7401  31.226  12.346  -14.71042      14.57187 
1 1 1 -21 1   50 o 25.087  8.5014  94.675     61.650   86.000     78.223   108.897    100.162  24.396  9.3833  26.514  10.494  -2.117918      14.07722 
1 1 1 -21 1   51 o 46.075  6.5233  294.719    70.891   209.349    91.836   420.602    111.517  35.422  10.158  52.285  9.1221  -16.86298      13.65290 
1 1 1 -21 1   52 o 29.749  12.185  163.404    140.158  0.0000     0.0000   163.404    140.158  ?       ?       29.749  12.185  0.000000       12.18471 
1 1 1 -21 1   53 o 23.896  10.771  49.847     131.918  0.0000     0.0000   49.847     131.918  ?       ?       23.896  10.771  0.000000       10.77128 
1 1 1 -21 1   54 o 28.775  11.104  154.314    109.806  274.215    231.806  119.625    124.683  31.566  14.249  26.537  11.227  5.029324       18.14027 
1 1 1 -21 2   1  o 93.820  4.1581  1078.79    94.658   1208.75    134.102  949.744    133.632  98.748  5.6201  87.228  6.3575  11.51994       8.485471 
1 1 1 -21 2   2  o 35.530  5.9307  160.137    49.327   150.605    73.277   168.035    66.704   33.873  8.8264  35.939  7.8675  -2.065601      11.82386 
1 1 1 -21 2   3  o 95.863  4.0769  1124.97    94.829   1219.06    135.263  1034.03    132.984  99.235  5.6409  91.232  6.0416  8.002419       8.265656 
1 1 1 -21 2   4  o 120.927 4.2492  1790.92    124.679  1887.33    177.131  1696.25    175.526  123.601 5.9062  116.912 6.2098  6.688370       8.570009 
1 1 1 -21 2   5  o 97.364  4.6761  1162.92    110.471  1152.98    144.404  1176.93    171.536  96.356  6.2095  96.913  7.3495  -0.5571365     9.621442 
1 1 1 -21 2   6  o 115.137 4.7630  1626.50    133.062  1570.41    172.028  1710.04    209.940  112.486 6.3286  116.901 7.4401  -4.415497      9.767567 
1 1 1 -21 2   7  o 15.603  6.7152  -2.6242    45.978   -91.1977   74.074   52.887     58.641   15.284  7.2754  22.549  8.2346  -7.264898      10.98819 
1 1 1 -21 2   8  o 92.348  4.2103  1043.57    94.342   942.178    134.588  1141.51    132.281  87.035  6.4184  96.083  5.6994  -9.048172      8.583640 
1 1 1 -21 2   9  o 86.528  5.4074  924.615    112.959  945.901    131.410  864.375    221.068  87.267  6.2473  81.179  11.549  6.088318       13.13032 
1 1 1 -21 2   10 o 97.297  8.0598  1191.91    188.566  1191.91    188.566  0.0000     0.0000   97.297  8.0598  ?       ?       0.000000       8.059836 
1 1 1 -21 2   11 o 90.755  7.8839  1036.46    171.885  1036.46    171.885  0.0000     0.0000   90.755  7.8839  ?       ?       0.000000       7.883882 
1 1 1 -21 2   12 o 21.647  9.0524  15.194     79.580   -32.3873   94.807   128.672    146.413  20.708  9.2483  34.562  12.940  -13.85400      15.90558 
1 1 1 -21 2   13 o 111.941 4.2572  1534.05    115.633  1542.78    162.835  1525.17    164.234  111.600 6.0358  110.925 6.1257  0.6745453      8.599742 
1 1 1 -21 2   14 o 91.563  4.1293  1026.01    91.741   1037.12    136.009  1016.73    124.268  91.376  6.1705  90.631  5.6796  0.7454910      8.386490 
1 1 1 -21 2   15 f 119.845 4.1646  1758.43    121.103  2004.52    176.418  1539.13    166.540  127.452 5.7047  111.354 6.1882  16.09710       8.416483 
1 1 1 -21 2   16 o 96.391  4.3404  1138.81    101.515  1344.80    151.194  969.735    136.982  104.097 6.0115  88.189  6.4462  15.90801       8.814292 
1 1 1 -21 2   17 f 28.595  7.7598  106.012    55.214   76.084     88.683   124.957    70.557   27.073  10.084  31.000  8.9079  -3.927332      13.45503 
1 1 1 -21 2   18 o 72.827  6.9166  667.135    120.755  673.702    250.777  665.152    137.780  68.771  15.411  72.298  7.9875  -3.526962      17.35755 
1 1 1 -21 2   19 o 13.128  6.4275  -129.4047  68.800   -138.0410  184.058  -128.0020  74.177   25.638  11.974  13.966  6.8019  11.67194       13.77078 
1 1 1 -21 2   20 o 87.660  6.6508  964.472    140.409  1191.34    262.776  873.817    166.110  94.380  11.728  82.597  8.4055  11.78337       14.42868 
1 1 1 -21 2   21 o 99.882  6.5413  1251.41    157.655  1490.94    286.666  1147.55    188.766  105.749 11.350  94.690  8.2997  11.05928       14.06052 
1 1 1 -21 2   22 o 20.242  8.4303  16.690     68.618   0.0000     0.0000   16.690     68.618   ?       ?       20.242  8.4303  0.000000       8.430346 
1 1 1 -21 2   23 o 27.262  10.368  76.964     94.834   0.0000     0.0000   76.964     94.834   ?       ?       27.262  10.368  0.000000       10.36811 
1 1 1 -21 2   24 o 26.958  8.9139  91.690     67.824   0.0000     0.0000   91.690     67.824   ?       ?       26.958  8.9139  0.000000       8.913878 
1 1 1 -21 2   25 o 89.703  4.4077  993.592    95.936   1060.07    142.543  938.547    129.712  91.542  6.4589  86.229  6.2418  5.312965       8.982038 
1 1 1 -21 2   26 o 71.541  4.2871  634.281    74.076   616.455    101.768  654.368    108.031  69.795  6.0697  71.830  6.2610  -2.035057      8.720151 
1 1 1 -21 2   27 f 26.544  6.8080  92.950     44.059   87.751     57.756   100.188    68.141   25.975  8.1967  27.681  8.9212  -1.705948      12.11506 
1 1 1 -21 2   28 o 34.535  6.2332  155.042    50.310   169.570    68.402   137.921    74.255   35.462  8.1239  31.776  9.1405  3.686138       12.22890 
1 1 1 -21 2   29 o 42.379  5.4641  228.968    54.878   232.466    72.861   224.383    83.428   41.893  7.4403  40.544  8.7381  1.349422       11.47661 
1 1 1 -21 2   30 o 79.796  4.2247  792.119    81.506   722.722    113.732  865.391    116.865  75.081  6.3012  82.479  5.8780  -7.397903      8.617214 
1 1 1 -21 2   31 o 57.370  5.4349  418.411    74.754   448.888    86.894   331.616    146.637  59.071  6.1528  46.591  12.647  12.47994       14.06425 
1 1 1 -21 2   32 o 62.239  5.8915  496.681    87.912   449.672    106.740  595.818    155.008  58.075  7.7695  65.060  10.151  -6.984737      12.78276 
1 1 1 -21 2   33 o 29.736  7.9634  121.373    58.605   91.276     68.083   207.466    115.148  26.301  8.9339  37.251  11.545  -10.95041      14.59829 
1 1 1 -21 2   34 o 20.830  7.1615  53.658     43.768   29.209     55.959   92.182     70.242   19.293  7.7735  26.413  9.0730  -7.119896      11.94761 
1 1 1 -21 2   35 o 17.418  7.5452  1.8591     58.807   -19.3173   79.765   27.075     87.042   18.731  8.4156  22.195  9.3845  -3.463406      12.60522 
1 1 1 -21 2   36 o 29.512  8.2502  121.174    61.376   74.198     82.035   180.901    92.501   25.186  9.6277  35.122  10.231  -9.936192      14.04843 
1 1 1 -21 2   37 o 25.253  8.2217  86.035     57.782   111.113    80.423   59.278     83.072   28.329  9.7094  23.987  9.5368  4.342220       13.60968 
1 1 1 -21 2   38 o 28.804  10.083  116.331    86.947   117.730    173.340  115.860    100.505  31.414  13.261  29.053  10.752  2.361334       17.07215 
1 1 1 -21 2   39 o 29.726  10.189  128.115    88.573   211.877    180.161  101.416    101.715  35.785  14.102  27.813  10.699  7.972353       17.70163 
1 1 1 -21 2   40 o 23.962  8.3320  76.707     59.324   76.920     79.745   76.444     88.773   24.833  9.4924  25.229  9.9129  -0.3963528     13.72484 
1 1 1 -21 2   41 o 16.219  7.1818  -5.6879    55.944   0.4836     79.922   -11.6170   78.336   19.385  8.5837  18.554  8.3376  0.8309650      11.96638 
1 1 1 -21 2   42 o 18.701  7.7070  27.195     56.504   41.880     75.617   8.6286     85.025   21.525  8.8974  20.200  8.9035  1.324867       12.58716 
1 1 1 -21 2   43 o 44.096  6.3987  263.710    66.463   228.234    91.424   303.472    96.790   38.317  9.7957  45.025  9.1709  -6.708229      13.41871 
1 1 1 -21 2   44 o 44.019  6.4209  264.555    66.562   187.435    91.689   350.479    96.782   33.987  10.259  48.917  8.4601  -14.93017      13.29725 
1 1 1 -21 2   45 o 16.899  7.3861  5.9788     57.420   85.434     73.034   -122.6343  92.919   24.472  9.1440  15.513  7.5679  8.959430       11.86957 
1 1 1 -21 2   46 o 32.882  8.3102  163.528    66.332   183.796    85.777   133.377    104.621  33.514  9.8775  28.414  10.870  5.099823       14.68742 
1 1 1 -21 2   47 o 57.475  7.4401  472.980    101.323  460.238    117.385  510.219    200.674  54.655  9.1768  46.744  15.327  7.910694       17.86411 
1 1 1 -21 2   48 o 17.636  7.9081  -1.9199    70.074   -22.3242   78.430   78.818     156.013  17.430  8.0269  26.185  11.767  -8.755032      14.24371 
1 1 1 -21 2   49 o 22.939  8.3261  74.984     59.820   4.7094     78.128   174.554    92.999   18.781  8.3911  31.966  10.432  -13.18430      13.38759 
1 1 1 -21 2   50 o 33.200  8.0111  164.997    63.794   98.749     84.432   253.133    97.385   25.565  9.7685  39.144  10.163  -13.57908      14.09681 
1 1 1 -21 2   51 o 26.217  10.248  106.547    94.477   425.659    233.374  43.997     103.323  39.070  15.828  22.625  9.8979  16.44464       18.66801 
1 1 1 -21 2   52 o 25.915  10.180  105.025    93.605   -161.4265  244.088  150.966    101.354  23.469  11.608  29.351  10.809  -5.882227      15.86162 
1 1 1 -21 2   53 o 18.018  8.2897  -14.7442   83.370   -458.2547  234.455  49.452     89.200   19.346  9.8021  21.813  9.3698  -2.466393      13.56001 
1 1 1 -21 3   1  o 79.324  4.2620  773.649    81.731   787.858    116.776  760.005    114.431  79.505  6.0998  78.084  6.0878  1.421432       8.617993 
1 1 1 -21 3   2  o 16.221  6.8155  5.8697     45.443   12.363     68.806   0.8457     60.521   20.076  8.4083  18.113  7.7475  1.963200       11.43347 
1 1 1 -21 3   3  o 92.079  4.1255  1038.11    92.173   1119.33    131.219  958.996    129.501  95.053  5.7160  87.823  6.1153  7.230202       8.370765 
1 1 1 -21 3   4  o 101.515 4.1374  1261.46    101.910  1276.31    144.692  1246.84    143.559  101.483 5.9016  100.292 5.9256  1.191055       8.363103 
1 1 1 -21 3   5  o 32.750  7.3481  138.738    56.956   263.335    92.452   62.523     72.307   45.012  8.7803  24.674  9.1222  20.33782       12.66132 
1 1 1 -21 3   6  o 121.430 4.2728  1805.29    125.893  1672.84    180.366  1931.11    175.801  116.059 6.4300  125.115 5.7909  -9.056320      8.653312 
1 1 1 -21 3   7  o 106.694 4.2907  1393.68    111.079  1399.29    159.076  1388.33    155.175  106.218 6.1992  105.849 6.0672  0.3693314      8.674125 
1 1 1 -21 3   8  o 59.229  5.9849  437.243    84.830   427.461    134.498  443.705    109.315  57.231  10.052  59.131  7.8102  -1.899906      12.72982 
1 1 1 -21 3   9  o 76.615  8.4064  744.607    153.708  744.607    153.708  0.0000     0.0000   76.615  8.4064  ?       ?       0.000000       8.406438 
1 1 1 -21 3   10 o 62.948  9.3345  510.610    138.252  510.610    138.252  0.0000     0.0000   62.948  9.3345  ?       ?       0.000000       9.334466 
1 1 1 -21 3   11 o 109.915 8.0503  1520.11    213.207  1520.11    213.207  0.0000     0.0000   109.915 8.0503  ?       ?       0.000000       8.050271 
1 1 1 -21 3   12 o 122.722 4.5131  1845.91    134.387  1736.89    188.249  1959.21    191.909  118.195 6.5903  125.834 6.2854  -7.639160      9.107015 
1 1 1 -21 3   13 o 46.131  5.1968  264.913    57.156   197.552    95.337   302.707    71.412   38.650  10.066  49.123  6.1243  -10.47373      11.78284 
1 1 1 -21 3   14 o 110.396 4.1880  1492.24    112.182  1703.31    166.530  1316.88    151.792  117.438 5.8442  103.010 6.1002  14.42740       8.447854 
1 1 1 -21 3   15 o 79.435  5.5402  781.893    106.113  939.256    179.214  696.940    131.677  85.840  8.7257  74.360  7.3962  11.47999       11.43859 
1 1 1 -21 3   16 o 16.630  7.1602  -2.4176    52.316   -16.3307   94.864   3.6635     62.716   21.473  9.4364  18.627  7.9249  2.845633       12.32279 
1 1 1 -21 3   17 o 77.473  4.5448  739.473    85.060   704.454    129.902  765.758    112.543  74.731  7.2553  78.418  5.9594  -3.686874      9.389043 
1 1 1 -21 3   18 o 61.876  7.4697  486.643    109.879  512.886    240.553  479.724    123.518  59.251  16.246  60.997  8.5830  -1.745159      18.37407 
1 1 1 -21 3   19 o 46.887  9.1050  289.292    99.850   492.756    233.161  243.598    110.495  57.965  16.036  42.455  10.723  15.50955       19.29129 
1 1 1 -21 3   20 o 63.964  7.2986  520.434    111.249  400.317    229.600  557.286    127.175  52.112  16.328  65.864  8.1304  -13.75145      18.24018 
1 1 1 -21 3   21 o 108.859 5.9428  1478.96    156.377  0.0000     0.0000   1478.96    156.377  ?       ?       108.859 5.9428  0.000000       5.942811 
1 1 1 -21 3   22 o 33.989  8.7486  153.967    72.577   0.0000     0.0000   153.967    72.577   ?       ?       33.989  8.7486  0.000000       8.748563 
1 1 1 -21 3   23 o 17.609  7.8268  -18.3894   67.063   0.0000     0.0000   -18.3894   67.063   ?       ?       17.609  7.8268  0.000000       7.826798 
1 1 1 -21 3   24 o 19.214  7.7098  25.895     54.797   99.246     86.296   -23.6653   70.933   28.478  10.039  17.804  7.9718  10.67447       12.81954 
1 1 1 -21 3   25 o 56.024  4.6467  391.176    62.596   345.402    84.699   446.265    92.919   51.790  6.9127  59.110  6.5908  -7.319695      9.551114 
1 1 1 -21 3   26 o 77.289  4.7315  743.997    88.305   704.125    109.383  818.612    149.635  74.547  6.1007  79.331  7.8778  -4.784660      9.963820 
1 1 1 -21 3   27 o 52.283  4.8071  342.693    60.300   352.090    80.182   330.460    91.486   52.348  6.4490  50.077  7.7819  2.271393       10.10676 
1 1 1 -21 3   28 o 16.608  6.7595  16.702     42.792   -86.9593   54.427   184.517    69.251   12.149  5.8962  37.044  7.9429  -24.89503      9.892179 
1 1 1 -21 3   29 o 30.846  6.8327  126.389    49.793   146.072    65.839   100.088    76.107   32.717  8.2850  27.693  9.4455  5.023537       12.56418 
1 1 1 -21 3   30 o 59.190  4.6715  439.767    66.547   444.570    89.863   433.933    99.026   58.667  6.4175  57.478  7.2625  1.188938       9.691672 
1 1 1 -21 3   31 o 54.984  6.0255  389.125    79.073   342.711    94.636   496.464    143.917  50.500  7.9891  59.150  10.408  -8.649521      13.12034 
1 1 1 -21 3   32 o 15.253  6.6779  -5.0960    47.114   9.7136     53.607   -55.3656   98.765   17.373  7.3563  19.292  8.9278  -1.918673      11.56808 
1 1 1 -21 3   33 o 27.802  8.0545  105.852    57.474   54.173     66.456   259.216    114.483  22.536  8.6532  41.721  11.111  -19.18527      14.08280 
1 1 1 -21 3   34 f 60.659  5.3082  468.918    77.342   424.829    108.439  514.568    110.342  55.901  8.2420  62.172  7.4636  -6.271297      11.11920 
1 1 1 -21 3   35 f 60.150  5.2716  461.422    76.162   407.487    104.941  521.451    110.709  54.715  8.1535  62.528  7.4433  -7.813175      11.04001 
1 1 1 -21 3   36 o 29.988  8.3191  125.756    62.657   182.582    83.500   52.524     94.790   35.554  9.4986  24.354  10.003  11.20023       13.79429 
1 1 1 -21 3   37 o 18.054  8.1836  -24.6031   77.394   69.726     160.238  -53.3044   88.388   28.864  12.479  18.007  8.3720  10.85707       15.02706 
1 1 1 -21 3   38 o 24.600  9.6584  68.611     84.215   -132.3495  174.330  129.784    96.182   22.945  10.987  30.001  10.597  -7.055246      15.26439 
1 1 1 -21 3   39 o 20.237  8.8213  9.8635     81.418   -247.3999  169.720  86.765     92.792   20.047  9.8708  26.266  10.187  -6.218590      14.18470 
1 1 1 -21 3   40 o 71.936  4.8160  661.225    83.577   597.147    116.739  728.603    119.708  66.146  7.4004  73.773  6.7627  -7.626915      10.02496 
1 1 1 -21 3   41 o 40.881  6.8272  228.346    65.334   160.208    90.907   301.138    93.961   32.077  10.301  45.480  8.8330  -13.40259      13.56942 
1 1 1 -21 3   42 o 25.125  8.3040  90.125     58.863   33.881     81.680   150.893    84.903   21.348  9.0623  31.119  9.9508  -9.771042      13.45895 
1 1 1 -21 3   43 o 11.632  5.6775  -83.7747   52.466   -48.2278   69.196   -131.8482  80.470   15.461  7.2594  13.968  6.8615  1.493376       9.988954 
1 1 1 -21 3   44 o 23.851  8.3800  81.124     60.085   150.257    81.087   -3.0534    89.476   30.716  9.7143  19.620  8.8547  11.09678       13.14435 
1 1 1 -21 3   45 o 23.764  8.3770  81.544     60.081   99.679     81.064   59.440     89.497   25.755  9.6316  23.007  9.6086  2.747988       13.60491 
1 1 1 -21 3   46 o 21.616  8.3411  60.497     61.966   174.197    85.626   -64.5238   89.787   32.461  9.9387  16.889  8.0307  15.57187       12.77768 
1 1 1 -21 3   47 o 50.805  7.9410  378.521    94.688   347.466    111.131  460.793    180.883  46.080  10.208  45.807  14.511  0.2726517      17.74217 
1 1 1 -21 3   48 o 29.770  9.6935  145.124    80.321   135.846    90.898   178.176    171.571  28.564  10.279  30.381  13.021  -1.816740      16.58898 
1 1 1 -21 3   49 o 38.372  7.2562  211.679    65.084   127.953    89.336   306.384    95.013   27.968  10.171  44.454  9.1146  -16.48646      13.65762 
1 1 1 -21 3   50 o 27.275  8.3284  113.575    60.175   117.687    82.048   108.790    88.521   27.147  9.7657  26.375  10.020  0.7722683      13.99205 
1 1 1 -21 3   51 o 16.243  7.6924  -54.8382   80.772   -243.2972  226.752  -27.4496   86.442   21.765  10.837  17.922  8.3146  3.843098       13.65884 
1 1 1 -21 3   52 o 18.831  8.5876  -5.2323    86.878   103.894    236.827  -22.2014   93.389   27.783  13.161  18.621  8.6401  9.161329       15.74395 
1 1 1 -21 3   53 o 22.150  9.4888  56.622     91.033   6.7611     246.810  64.473     97.939   25.384  12.373  22.884  9.8237  2.499620       15.79824 
1 1 1 -21 4   1  o 35.517  6.4082  161.184    53.193   187.173    75.318   135.322    75.135   37.810  8.4252  32.170  9.1760  5.640087       12.45722 
1 1 1 -21 4   2  o 26.936  7.4587  93.573     50.415   44.017     71.024   143.902    71.575   22.857  8.8991  33.137  8.7665  -10.27963      12.49186 
1 1 1 -21 4   3  o 60.202  4.6099  447.290    66.827   515.990    96.059   382.855    93.029   64.256  6.2399  54.998  7.1396  9.257576       9.482081 
1 1 1 -21 4   4  o 121.055 4.2757  1795.05    125.590  1860.26    175.524  1726.64    179.775  122.706 5.8953  117.907 6.3067  4.799255       8.633037 
1 1 1 -21 4   5  o 123.753 4.4349  1876.90    133.169  2020.47    187.352  1730.29    189.322  127.851 6.0394  117.912 6.6444  9.938980       8.978956 
1 1 1 -21 4   6  f 39.116  6.1295  193.430    56.264   104.138    87.532   256.296    73.447   29.529  10.129  44.924  6.9634  -15.39507      12.29177 
1 1 1 -21 4   7  o 21.569  7.7494  49.908     51.649   -24.6013   82.147   98.618     66.420   19.512  8.6680  28.018  8.7825  -8.506393      12.33970 
1 1 1 -21 4   8  o 65.969  9.1299  558.938    142.223  558.938    142.223  0.0000     0.0000   65.969  9.1299  ?       ?       0.000000       9.129945 
1 1 1 -21 4   9  o 65.894  9.1803  558.036    142.793  558.036    142.793  0.0000     0.0000   65.894  9.1803  ?       ?       0.000000       9.180328 
1 1 1 -21 4   10 o 28.152  11.290  58.294     117.448  58.294     117.448  0.0000     0.0000   28.152  11.290  ?       ?       0.000000       11.29019 
1 1 1 -21 4   11 o 43.838  6.9393  244.249    71.355   168.878    96.537   335.019    105.940  35.890  10.451  50.874  8.9068  -14.98401      13.73128 
1 1 1 -21 4   12 o 108.408 4.2642  1439.24    112.167  1466.90    166.144  1416.07    152.048  108.664 6.3288  106.929 5.8830  1.734863       8.640749 
1 1 1 -21 4   13 o 111.551 4.2648  1524.25    115.435  1888.01    170.863  1218.79    156.572  123.689 5.6932  98.903  6.5616  24.78529       8.687170 
1 1 1 -21 4   14 o 54.564  6.4941  374.332    84.289   559.077    150.650  290.146    101.696  65.595  9.7629  47.096  9.2294  18.49931       13.43485 
1 1 1 -21 4   15 o 12.587  5.9574  -55.4184   48.312   -153.5016  85.689   -9.7087    58.497   14.837  7.2448  17.057  7.4550  -2.219277      10.39540 
1 1 1 -21 4   16 o 11.189  5.4425  -81.4463   47.076   -281.8096  91.695   -9.7344    54.857   12.772  6.4328  16.479  7.2105  -3.706619      9.662911 
1 1 1 -21 4   17 o 79.253  6.7847  788.790    129.211  812.110    270.103  781.869    147.140  75.659  15.240  78.466  7.8330  -2.806946      17.13525 
1 1 1 -21 4   18 o 44.902  8.9496  265.141    94.085   35.510     223.909  314.378    103.682  34.131  14.754  48.949  9.0634  -14.81783      17.31530 
1 1 1 -21 4   19 o 39.414  9.6635  207.858    91.706   59.242     226.204  237.089    100.320  35.012  14.977  42.023  9.9860  -7.010571      18.00093 
1 1 1 -21 4   20 f 64.646  5.2815  520.492    82.122   584.564    138.398  485.673    102.024  67.131  8.7013  61.863  6.9152  5.267509       11.11448 
1 1 1 -21 4   21 o 101.352 6.0219  1285.22    147.426  0.0000     0.0000   1285.22    147.426  ?       ?       101.352 6.0219  0.000000       6.021911 
1 1 1 -21 4   22 o 42.983  8.2397  243.372    82.807   0.0000     0.0000   243.372    82.807   ?       ?       42.983  8.2397  0.000000       8.239665 
1 1 1 -21 4   23 o 80.560  6.8617  825.165    132.849  844.031    261.601  818.609    154.215  75.716  14.770  79.532  8.1046  -3.816437      16.84722 
1 1 1 -21 4   24 o 81.684  4.3325  826.001    85.562   858.054    122.927  795.879    119.167  82.413  6.1927  79.331  6.2413  3.082024       8.792180 
1 1 1 -21 4   25 o 27.788  6.9853  101.965    47.046   113.330    61.137   85.465     73.668   29.136  8.2656  26.426  9.2793  2.710852       12.42683 
1 1 1 -21 4   26 o 36.029  5.8742  167.060    49.583   182.583    66.398   147.492    74.548   37.055  7.6389  32.875  9.0565  4.179649       11.84790 
1 1 1 -21 4   27 o 31.440  6.8113  130.649    50.458   113.934    67.114   152.382    76.527   29.085  8.7765  33.283  9.1789  -4.197941      12.69952 
1 1 1 -21 4   28 o 24.115  7.3487  76.240     46.885   64.727     61.519   92.192     72.415   23.435  8.4531  26.799  9.2118  -3.363720      12.50250 
1 1 1 -21 4   29 o 45.954  5.1642  268.037    56.585   201.218    77.268   345.317    83.096   38.316  8.5302  51.448  6.8250  -13.13177      10.92454 
1 1 1 -21 4   30 f 15.896  7.0201  -9.4392    53.107   -114.9896  60.576   341.193    110.407  12.124  5.9554  49.440  9.5492  -37.31601      11.25401 
1 1 1 -21 4   31 o 24.783  8.0449  80.917     55.339   84.771     63.848   69.279     110.946  25.500  8.6516  26.803  10.894  -1.303621      13.91127 
1 1 1 -21 4   32 o 28.094  8.0642  108.163    57.852   128.326    67.080   49.630     114.294  30.367  8.6732  25.762  10.816  4.604624       13.86370 
1 1 1 -21 4   33 o 18.114  6.9224  32.508     42.403   33.432     54.124   31.041     68.232   19.475  7.7121  20.713  8.4947  -1.238026      11.47327 
1 1 1 -21 4   34 o 48.454  6.0753  305.252    69.856   282.252    94.792   332.590    103.343  44.855  9.0221  48.753  9.0698  -3.898258      12.79297 
1 1 1 -21 4   35 o 85.330  4.7352  918.400    97.655   945.338    136.217  889.915    140.075  85.026  6.6557  82.077  7.1036  2.949028       9.734434 
1 1 1 -21 4   36 o 51.601  5.9125  346.007    72.692   362.395    101.636  328.845    104.008  51.138  8.4887  48.124  9.2432  3.014294       12.54970 
1 1 1 -21 4   37 o 23.827  9.7114  53.845     88.485   -146.3848  170.913  127.165    103.424  22.424  10.775  29.949  10.936  -7.524954      15.35233 
1 1 1 -21 4   38 o 30.108  10.530  132.696    94.823   -129.3596  182.769  229.211    110.918  23.446  11.233  38.245  11.221  -14.79905      15.87721 
1 1 1 -21 4   39 o 53.610  5.8888  377.138    75.339   336.337    104.707  420.936    108.485  48.029  9.3209  54.632  8.4570  -6.602917      12.58576 
1 1 1 -21 4   40 f 17.075  7.4453  3.1078     58.039   -107.6438  77.176   147.276    88.053   14.419  7.0031  31.013  10.152  -16.59420      12.33305 
1 1 1 -21 4   41 o 22.569  8.2625  66.347     59.093   103.496    79.942   21.596     87.741   26.746  9.6376  21.129  9.1844  5.616377       13.31307 
1 1 1 -21 4   42 o 17.672  7.5523  14.544     57.422   27.417     82.408   2.3963     80.056   20.898  8.9921  19.228  8.5487  1.670227       12.40720 
1 1 1 -21 4   43 o 44.039  6.4978  265.914    67.347   225.567    93.434   309.543    97.161   37.499  10.060  45.153  9.1810  -7.654259      13.61979 
1 1 1 -21 4   44 o 20.139  8.0077  45.348     58.575   106.289    79.255   -28.0106   86.956   26.385  9.5826  18.152  8.3923  8.232880       12.73799 
1 1 1 -21 4   45 o 25.101  8.4626  94.392     61.086   187.879    82.326   -20.1281   91.118   34.146  9.5584  18.778  8.6492  15.36883       12.89074 
1 1 1 -21 4   46 o 37.096  9.6136  222.266    87.239   208.091    99.437   269.647    181.795  34.608  10.729  34.449  13.965  0.1590538      17.61077 
1 1 1 -21 4   47 o 17.063  7.7808  -14.5227   71.300   -35.3489   79.689   69.067     159.650  16.957  7.9056  25.876  11.739  -8.919863      14.15285 
1 1 1 -21 4   48 o 16.192  7.1808  -0.2691    56.141   68.032     74.381   -90.6905   85.582   22.751  9.0309  15.540  7.5053  7.211525       11.74252 
1 1 1 -21 4   49 o 18.076  7.6087  24.303     56.804   80.612     77.558   -40.8550   83.430   23.912  9.3024  17.130  8.0201  6.782333       12.28234 
1 1 1 -21 4   50 o 15.947  7.6697  -82.5092   87.108   -144.3245  224.268  -71.5269   94.529   23.175  11.398  17.046  8.1427  6.128939       14.00817 
1 1 1 -21 4   51 o 38.672  11.306  271.620    112.780  57.504     262.440  320.117    124.901  27.384  13.205  41.448  11.834  -14.06360      17.73171 
1 1 1 -21 4   52 o 20.900  9.2859  28.893     94.304   -246.0748  241.587  78.323     102.430  21.805  10.907  23.967  10.160  -2.162189      14.90574 
1 1 1 -21 5   1  o 83.859  4.2382  864.324    85.957   865.218    118.884  863.344    124.430  83.398  5.9133  83.203  6.2081  0.1950989      8.573693 
1 1 1 -21 5   2  o 120.615 4.2814  1783.33    125.300  1683.45    174.369  1889.98    180.177  116.380 6.1972  123.552 6.0102  -7.172729      8.632915 
1 1 1 -21 5   3  o 78.985  4.2120  766.385    80.431   749.084    112.911  784.207    114.603  77.579  6.0460  79.404  5.9924  -1.825233      8.512527 
1 1 1 -21 5   4  o 108.527 4.1706  1442.28    109.826  1397.73    153.800  1488.64    156.880  106.156 5.9955  109.593 5.9216  -3.436424      8.426798 
1 1 1 -21 5   5  o 103.937 4.2453  1323.04    107.063  1349.43    150.285  1295.84    152.562  104.333 5.9612  102.151 6.1843  2.182343       8.589646 
1 1 1 -21 5   6  o 85.875  5.6262  913.053    116.584  841.471    132.466  1159.03    245.555  82.074  6.7104  94.351  10.928  -12.27715      12.82413 
1 1 1 -21 5   7  o 56.694  9.2903  416.334    123.372  416.334    123.372  0.0000     0.0000   56.694  9.2903  ?       ?       0.000000       9.290313 
1 1 1 -21 5   8  o 80.737  8.0654  824.444    155.888  824.444    155.888  0.0000     0.0000   80.737  8.0654  ?       ?       0.000000       8.065435 
1 1 1 -21 5   9  o 66.820  8.7430  571.286    138.353  571.286    138.353  0.0000     0.0000   66.820  8.7430  ?       ?       0.000000       8.743015 
1 1 1 -21 5   10 o 120.331 4.3023  1773.59    125.615  1432.15    175.196  2134.81    180.202  107.180 6.7715  131.566 5.6448  -24.38564      8.815722 
1 1 1 -21 5   11 o 95.929  4.1465  1126.57    96.516   1255.49    142.505  1017.32    131.186  100.658 5.8600  90.526  6.0065  10.13203       8.391521 
1 1 1 -21 5   12 o 93.597  4.2063  1072.95    95.527   1219.41    142.333  952.909    128.860  99.148  5.9439  87.550  6.1041  11.59718       8.519965 
1 1 1 -21 5   13 o 76.759  4.4311  724.903    82.178   767.790    125.279  692.511    108.875  78.336  6.6540  74.563  6.0705  3.773369       9.007021 
1 1 1 -21 5   14 o 120.049 4.4321  1768.06    129.100  1859.50    188.538  1687.34    177.145  122.235 6.3789  116.464 6.2920  5.770462       8.959891 
1 1 1 -21 5   15 o 73.060  4.7889  659.068    84.425   558.558    129.624  733.113    111.258  66.078  8.2655  76.692  6.0274  -10.61384      10.22977 
1 1 1 -21 5   16 o 173.740 5.9279  3741.62    249.897  7908.28    400.730  1090.18    319.668  251.992 6.5539  87.646  15.604  164.3464       16.92404 
1 1 1 -21 5   17 o 57.802  7.8295  428.065    106.984  499.286    243.862  411.091    119.052  58.122  16.515  56.145  9.0465  1.976852       18.83026 
1 1 1 -21 5   18 o 52.128  8.2443  352.081    100.809  199.971    233.471  386.938    111.764  41.338  16.124  54.494  8.7487  -13.15541      18.34422 
1 1 1 -21 5   19 o 16.906  7.3483  -5.7442    56.161   -23.9146   108.419  0.9194     65.656   22.430  9.9616  18.737  8.0435  3.692633       12.80360 
1 1 1 -21 5   20 o 44.284  7.9294  255.824    82.073   0.0000     0.0000   255.824    82.073   ?       ?       44.284  7.9294  0.000000       7.929390 
1 1 1 -21 5   21 o 86.164  6.1648  932.948    128.035  0.0000     0.0000   932.948    128.035  ?       ?       86.164  6.1648  0.000000       6.164796 
1 1 1 -21 5   22 o 95.386  5.5046  1136.46    126.859  1595.91    301.335  1037.48    139.856  108.035 11.681  90.668  6.3983  17.36694       13.31885 
1 1 1 -21 5   23 o 34.472  7.2235  156.195    58.486   220.142    90.282   109.951    76.774   40.247  9.4128  29.085  9.4774  11.16185       13.35748 
1 1 1 -21 5   24 o 48.733  5.1357  298.691    59.813   314.968    80.898   279.064    88.836   49.367  6.9457  45.838  8.2925  3.528538       10.81701 
1 1 1 -21 5   25 o 17.407  6.9579  21.866     44.444   20.919     58.815   23.126     67.858   19.170  7.8772  20.407  8.4315  -1.236977      11.53865 
1 1 1 -21 5   26 o 33.789  6.3760  149.053    50.358   172.157    67.115   119.289    76.176   35.792  7.9361  29.777  9.4154  6.015619       12.31387 
1 1 1 -21 5   27 o 10.916  5.2228  -51.3445   39.222   -92.7690   49.968   15.147     63.306   11.166  5.4693  19.166  8.0482  -8.000036      9.730680 
1 1 1 -21 5   28 o 10.368  5.0234  -61.8885   39.077   -106.7768  47.931   27.095     67.484   10.327  5.1144  20.514  8.4347  -10.18681      9.864096 
1 1 1 -21 5   29 f 24.127  7.7631  76.001     51.614   43.494     58.609   188.317    108.941  20.989  8.1084  35.956  11.244  -14.96706      13.86269 
1 1 1 -21 5   30 f 25.887  8.3908  89.128     60.215   132.646    69.612   -40.2076   120.007  30.891  8.8396  22.039  10.067  8.851759       13.39732 
1 1 1 -21 5   31 o 40.482  7.1118  218.566    67.307   234.171    79.050   177.429    128.344  41.380  8.1630  34.720  12.243  6.660049       14.71493 
1 1 1 -21 5   32 o 33.994  6.4427  153.149    51.196   78.772     66.294   263.050    80.585   24.879  8.7963  44.053  7.8257  -19.17336      11.77358 
1 1 1 -21 5   33 o 21.587  8.2036  50.566     59.342   101.908    84.170   -0.1768    83.676   27.721  9.8997  20.209  8.8723  7.512203       13.29367 
1 1 1 -21 5   34 o 16.382  7.2707  -10.5021   57.667   -29.6889   76.848   14.229     87.246   17.803  8.1026  21.358  9.2209  -3.554558      12.27511 
1 1 1 -21 5   35 o 49.337  6.2988  319.154    73.684   288.988    101.194  353.197    107.500  44.820  9.5947  49.978  9.2038  -5.158234      13.29540 
1 1 1 -21 5   36 o 54.773  8.2674  413.932    106.456  273.825    203.966  466.388    124.804  39.291  15.141  57.330  9.2897  -18.03924      17.76354 
1 1 1 -21 5   37 o 19.299  8.5307  -2.3364    78.596   98.231     165.172  -31.7724   89.361   29.964  12.807  18.948  8.6674  11.01620       15.46452 
1 1 1 -21 5   38 o 30.967  8.1749  136.745    62.327   142.173    85.207   130.499    91.408   30.871  9.9788  29.751  10.343  1.119625       14.37172 
1 1 1 -21 5   39 o 25.911  8.4368  94.964     60.845   73.978     83.003   119.338    89.453   24.582  9.6066  28.536  10.204  -3.953470      14.01465 
1 1 1 -21 5   40 o 14.860  6.8089  -25.4436   55.469   -49.2798   75.544   2.4415     81.709   16.327  7.6401  19.552  8.6673  -3.224928      11.55393 
1 1 1 -21 5   41 o 57.344  5.5886  433.215    76.771   399.674    105.562  470.874    111.854  52.414  8.5985  57.269  8.2907  -4.854454      11.94444 
1 1 1 -21 5   42 o 20.855  8.1443  50.751     59.624   3.7739     80.479   107.907    88.771   19.254  8.5654  26.876  10.074  -7.621656      13.22280 
1 1 1 -21 5   43 o 18.303  7.7324  22.686     59.010   53.642     85.814   -5.0816    81.275   22.536  9.4102  18.733  8.4482  3.803314       12.64611 
1 1 1 -21 5   44 o 21.180  8.0914  57.556     57.921   116.288    80.378   -5.8844    83.538   27.162  9.6769  18.786  8.5099  8.376146       12.88647 
1 1 1 -21 5   45 o 27.925  9.6465  125.672    79.458   103.907    92.048   189.313    157.399  26.015  10.130  31.067  12.839  -5.052557      16.35432 
1 1 1 -21 5   46 o 26.466  9.6616  110.680    80.717   102.491    91.136   140.478    173.848  25.836  10.075  28.765  12.702  -2.929316      16.21261 
1 1 1 -21 5   47 o 25.581  8.3980  99.481     60.241   91.911     83.257   107.799    87.271   24.898  9.6513  26.219  9.9522  -1.321722      13.86343 
1 1 1 -21 5   48 o 28.193  8.4906  122.572    62.858   77.521     84.121   179.528    94.585   23.850  9.5585  32.307  10.519  -8.457415      14.21323 
1 1 1 -21 5   49 o 35.342  7.8619  185.629    65.678   158.249    93.652   212.129    92.134   30.397  10.474  35.553  10.168  -5.156481      14.59799 
1 1 1 -21 5   50 o 18.027  8.4218  -34.3746   91.176   -169.6539  230.290  -9.2278    99.289   22.855  11.299  19.728  9.0654  3.126894       14.48627 
1 1 1 -21 5   51 o 16.143  7.6389  -50.1355   79.358   -581.7725  225.849  24.750     84.763   ?       ?       20.145  8.8839  0.000000       8.883913 
1 1 1 -21 5   52 o 20.364  8.9792  31.123     86.554   -176.9031  238.638  62.634     92.878   22.260  11.088  22.487  9.6075  -0.2264099     14.67166 
1 1 1 -21 6   1  o 67.820  4.4888  567.113    73.449   560.428    102.651  574.127    105.140  66.868  6.4051  67.661  6.4836  -0.7928314     9.113811 
1 1 1 -21 6   2  o 115.331 4.3119  1631.06    120.665  1588.78    167.514  1676.66    173.960  113.059 6.1292  116.122 6.1965  -3.062660      8.715696 
1 1 1 -21 6   3  o 68.990  4.4766  586.305    74.532   623.969    106.431  550.060    104.406  70.679  6.2712  66.230  6.5842  4.449333       9.092784 
1 1 1 -21 6   4  o 58.511  5.1306  424.435    72.105   495.119    103.079  356.709    100.899  62.725  6.8861  52.722  8.1503  10.00292       10.66982 
1 1 1 -21 6   5  o 101.306 5.3833  1267.98    131.852  1163.86    148.839  1647.63    284.205  96.691  6.3799  112.823 10.502  -16.13190      12.28837 
1 1 1 -21 6   6  o 156.363 6.6783  3036.88    253.375  2926.44    322.854  3213.97    408.832  151.982 8.7924  157.670 10.751  -5.687195      13.88815 
1 1 1 -21 6   7  o 128.835 8.0809  2090.84    251.337  2090.84    251.337  0.0000     0.0000   128.835 8.0809  ?       ?       0.000000       8.080938 
1 1 1 -21 6   8  o 127.479 8.0839  2047.29    248.754  2047.29    248.754  0.0000     0.0000   127.479 8.0839  ?       ?       0.000000       8.083861 
1 1 1 -21 6   9  o 180.990 4.6666  4020.41    204.937  4221.42    287.067  3811.49    292.663  184.518 6.4118  175.039 6.8908  9.479141       9.412433 
1 1 1 -21 6   10 o 80.994  4.4038  806.517    86.219   973.058    123.806  649.688    120.142  88.577  5.7923  71.928  6.9714  16.64917       9.063722 
1 1 1 -21 6   11 o 52.735  4.9015  344.674    62.000   637.432    97.741   147.561    80.201   71.641  5.6691  33.561  9.4482  38.08023       11.01852 
1 1 1 -21 6   12 o 66.826  4.6267  550.844    74.558   531.343    115.067  564.955    97.886   64.785  7.4561  67.290  6.0602  -2.505951      9.608315 
1 1 1 -21 6   13 o 116.483 4.3787  1664.46    123.758  1744.35    179.699  1592.38    170.689  118.405 6.2772  113.131 6.2423  5.273865       8.852684 
1 1 1 -21 6   14 o 73.138  4.5148  659.319    79.729   615.887    119.495  694.168    107.039  69.854  7.1509  74.627  5.9611  -4.772919      9.309685 
1 1 1 -21 6   15 o 47.428  8.6570  293.338    95.954   449.543    190.339  240.115    111.105  56.514  13.962  42.192  10.805  14.32218       17.65485 
1 1 1 -21 6   16 o 18.200  8.0441  -16.9205   69.876   -275.8139  163.838  40.642     77.255   20.473  10.001  23.120  9.1953  -2.646244      13.58611 
1 1 1 -21 6   17 o 38.457  9.2697  197.003    85.484   -120.8431  173.174  299.406    98.295   25.095  11.685  47.775  8.8038  -22.68010      14.62994 
1 1 1 -21 6   18 o 56.997  5.3631  405.638    73.298   511.463    115.217  333.691    95.002   63.195  7.6713  50.763  7.9761  12.43250       11.06643 
1 1 1 -21 6   19 o 45.755  7.8712  272.455    84.235   0.0000     0.0000   272.455    84.235   ?       ?       45.755  7.8712  0.000000       7.871178 
1 1 1 -21 6   20 o 22.857  8.8136  48.675     69.149   0.0000     0.0000   48.675     69.149   ?       ?       22.857  8.8136  0.000000       8.813646 
1 1 1 -21 6   21 o 76.212  6.2763  733.148    115.030  0.0000     0.0000   733.148    115.030  ?       ?       76.212  6.2763  0.000000       6.276282 
1 1 1 -21 6   22 o 42.733  6.4576  234.596    64.870   186.686    103.134  265.957    83.442   36.762  10.830  44.969  7.9376  -8.206371      13.42719 
1 1 1 -21 6   23 o 54.449  4.9464  371.185    64.637   347.922    89.065   397.070    93.951   51.780  7.2908  55.435  7.1516  -3.654793      10.21278 
1 1 1 -21 6   24 o 18.209  7.0417  29.605     44.239   64.395     56.370   -26.1786   71.380   23.196  8.1187  17.626  7.9362  5.569441       11.35328 
1 1 1 -21 6   25 o 29.041  7.1774  112.282    50.285   198.710    68.065   8.4265     74.613   38.695  7.5204  20.088  8.5977  18.60661       11.42262 
1 1 1 -21 6   26 o 14.733  6.3721  -1.7232    41.813   1.8550     53.669   -7.2496    66.697   16.879  7.2597  18.042  7.9210  -1.163092      10.74456 
1 1 1 -21 6   27 o 83.082  4.3530  859.837    87.448   791.095    122.685  930.830    124.678  78.434  6.5052  85.433  6.0537  -6.998344      8.886243 
1 1 1 -21 6   28 o 38.180  6.0424  189.352    54.114   203.910    71.012   169.189    83.571   38.870  7.8005  34.634  9.6076  4.236012       12.37554 
1 1 1 -21 6   29 o 56.929  6.0619  417.504    82.447   408.047    98.621   439.453    150.251  55.432  7.5270  54.444  11.721  0.9883728      13.92951 
1 1 1 -21 6   30 o 38.125  7.3773  195.570    65.777   164.820    77.028   278.379    126.404  34.189  9.1179  42.860  11.787  -8.671494      14.90203 
1 1 1 -21 6   31 o 23.366  8.0414  69.491     55.190   73.709     63.659   56.725     110.740  24.238  8.6144  25.883  10.739  -1.644855      13.76693 
1 1 1 -21 6   32 o 25.303  8.4898  84.792     61.475   91.277     81.564   76.264     93.538   26.682  9.7165  26.053  10.193  0.6291103      14.08246 
1 1 1 -21 6   33 o 40.283  7.3455  219.045    69.151   97.198     94.140   361.839    101.910  27.619  10.369  51.244  8.4936  -23.62492      13.40398 
1 1 1 -21 6   34 o 25.801  8.5416  89.965     62.270   84.998     83.129   96.315     93.997   26.065  9.7524  27.449  10.350  -1.383728      14.22104 
1 1 1 -21 6   35 o 24.639  9.7844  65.419     87.346   204.264    167.761  13.783     102.306  35.776  13.746  22.535  9.8540  13.24086       16.91308 
1 1 1 -21 6   36 o 15.810  7.5263  -79.5005   79.309   -166.5119  154.411  -48.3208   92.432   20.660  10.004  18.575  8.6106  2.084944       13.19926 
1 1 1 -21 6   37 o 29.583  10.436  127.872    93.265   54.033     179.873  155.023    109.072  28.519  12.737  31.865  11.281  -3.345892      17.01483 
1 1 1 -21 6   38 o 24.259  8.4301  79.865     60.725   153.079    83.104   -4.0126    88.950   31.835  9.7986  20.059  8.9581  11.77676       13.27628 
1 1 1 -21 6   39 o 41.753  7.0790  240.070    69.156   199.910    97.683   280.423    97.919   35.505  10.560  43.161  9.5983  -7.655582      14.27030 
1 1 1 -21 6   40 o 44.955  6.6611  275.755    70.460   277.749    96.120   273.440    103.591  42.777  9.5072  41.658  10.305  1.119392       14.02094 
1 1 1 -21 6   41 o 34.552  7.9793  174.016    65.545   117.178    89.327   240.313    96.474   27.710  10.157  38.838  10.131  -11.12812      14.34568 
1 1 1 -21 6   42 o 21.509  8.4370  55.924     64.204   38.723     88.033   75.469     93.842   21.770  9.3287  24.430  9.9841  -2.660238      13.66405 
1 1 1 -21 6   43 o 20.471  8.0108  50.053     57.776   149.997    80.391   -56.7194   83.092   30.465  9.6766  16.539  7.8234  13.92597       12.44354 
1 1 1 -21 6   44 o 47.119  6.3116  305.884    70.346   209.238    98.484   406.562    100.517  34.823  10.658  52.458  8.1624  -17.63497      13.42473 
1 1 1 -21 6   45 o 23.343  9.3199  73.505     79.641   122.686    89.874   -106.3305  171.860  27.418  10.163  21.533  10.457  5.885111       14.58207 
1 1 1 -21 6   46 o 22.630  9.0942  66.091     76.372   75.762     87.682   35.690     155.461  23.772  9.6756  24.517  11.295  -0.7452507     14.87228 
1 1 1 -21 6   47 o 28.597  8.5848  127.074    64.336   220.311    91.560   36.142     90.421   36.387  10.042  21.420  9.3173  14.96661       13.69871 
1 1 1 -21 6   48 o 12.984  6.1609  -47.5037   52.308   -69.9611   71.734   -22.0020   76.441   14.667  7.0296  17.223  7.9289  -2.555654      10.59642 
1 1 1 -21 6   49 o 18.018  8.4117  -34.0160   90.691   157.475    225.227  -71.0722   99.078   29.439  13.574  17.438  8.3319  12.00040       15.92690 
1 1 1 -21 6   50 o 42.183  11.175  318.386    116.201  -115.6335  267.488  419.347    129.011  24.554  12.146  48.956  11.115  -24.40203      16.46396 
1 1 1 -21 6   51 o 26.316  10.286  117.703    95.174   56.835     249.182  128.099    102.981  26.326  12.738  27.001  10.655  -0.6752205     16.60664 
1 1 1 -21 7   1  o 51.292  5.1274  327.353    62.959   328.839    90.044   325.933    88.063   50.695  7.5507  50.516  7.4045  0.1792068      10.57540 
1 1 1 -21 7   2  o ?       ?       -170.7979  28.480   -303.6898  54.419   -120.6692  33.423   ?       ?       7.2995  3.6987  0.000000       3.698690 
1 1 1 -21 7   3  o 36.054  6.7473  166.704    56.856   207.388    83.633   131.745    77.527   39.723  8.8980  31.825  9.3936  7.898256       12.93882 
1 1 1 -21 7   4  o 56.477  8.8256  412.252    116.984  128.219    134.949  1271.10    234.662  33.744  12.465  99.245  9.8759  -65.50023      15.90309 
1 1 1 -21 7   5  o 56.298  8.7397  409.029    115.515  289.573    134.512  744.619    225.456  46.200  11.920  74.111  13.012  -27.91126      17.64666 
1 1 1 -21 7   6  o 76.025  8.7978  739.603    159.292  739.603    159.292  0.0000     0.0000   76.025  8.7978  ?       ?       0.000000       8.797800 
1 1 1 -21 7   7  o 49.933  10.826  332.774    127.382  332.774    127.382  0.0000     0.0000   49.933  10.826  ?       ?       0.000000       10.82577 
1 1 1 -21 7   8  o 73.687  5.0538  671.079    89.815   1013.18    124.073  294.466    130.181  90.409  5.6848  46.697  11.553  43.71165       12.87563 
1 1 1 -21 7   9  o 25.693  8.2875  81.574     58.795   137.923    93.483   44.699     75.624   32.815  10.436  23.373  9.1599  9.442266       13.88576 
1 1 1 -21 7   10 o 22.783  7.3271  63.612     45.983   288.655    79.853   -48.0351   56.245   47.617  7.1309  14.368  6.6796  33.24853       9.770697 
1 1 1 -21 7   11 o 17.870  7.2848  16.738     49.800   25.963     86.926   12.231     60.760   23.116  9.5462  19.005  7.9255  4.111046       12.40745 
1 1 1 -21 7   12 f 8.2668  4.1644  -121.3189  38.525   -226.9788  78.300   -87.5703   44.252   12.088  6.0693  10.422  5.1135  1.665169       7.936293 
1 1 1 -21 7   13 o 75.938  4.4408  710.389    81.469   755.846    123.261  675.127    108.563  77.641  6.6057  73.514  6.1425  4.127617       9.020273 
1 1 1 -21 7   14 f 64.718  7.0156  529.538    108.404  343.677    197.590  609.571    129.660  49.155  15.106  69.143  7.8686  -19.98767      17.03209 
1 1 1 -21 7   15 o 60.059  7.2142  458.448    103.028  298.931    202.266  514.337    119.724  46.162  15.400  63.360  7.9635  -17.19831      17.33693 
1 1 1 -21 7   16 o 58.662  7.2703  438.580    101.266  212.915    193.981  523.120    118.729  40.760  14.963  63.909  7.8197  -23.14871      16.88296 
1 1 1 -21 7   17 o 43.070  6.1227  235.407    62.184   306.536    94.895   181.875    82.323   48.449  8.3753  36.895  9.2213  11.55328       12.45704 
1 1 1 -21 7   18 o 31.559  9.1286  131.937    73.877   0.0000     0.0000   131.937    73.877   ?       ?       31.559  9.1286  0.000000       9.128596 
1 1 1 -21 7   19 o 61.262  6.7845  477.523    99.155   0.0000     0.0000   477.523    99.155   ?       ?       61.262  6.7845  0.000000       6.784482 
1 1 1 -21 7   20 o 124.575 6.3791  1954.02    192.175  0.0000     0.0000   1954.02    192.175  ?       ?       124.575 6.3791  0.000000       6.379102 
1 1 1 -21 7   21 o 96.952  4.4573  1161.39    104.855  1123.19    157.599  1191.73    140.452  93.904  6.9664  97.346  5.9752  -3.442184      9.177894 
1 1 1 -21 7   22 o 17.826  7.0773  23.992     45.689   -4.1929    59.815   63.470     70.791   17.420  7.5778  24.176  9.0086  -6.755320      11.77189 
1 1 1 -21 7   23 o 84.000  4.3005  874.911    87.358   853.292    121.942  897.704    125.210  82.025  6.1721  84.141  6.1761  -2.115700      8.731526 
1 1 1 -21 7   24 o 53.916  4.7961  364.402    62.088   363.181    84.888   365.807    91.048   53.011  6.7528  52.952  7.2788  0.5916595E-01  9.928829 
1 1 1 -21 7   25 o 24.452  7.2780  78.647     46.386   98.480     59.482   47.868     74.102   27.172  8.2766  22.891  9.0368  4.281662       12.25419 
1 1 1 -21 7   26 o 29.984  6.9314  119.869    49.420   93.515     67.702   149.928    72.305   26.726  8.9092  32.956  8.8535  -6.229963      12.56019 
1 1 1 -21 7   27 f 78.380  4.3791  766.699    82.950   801.363    115.890  730.283    118.781  79.132  6.0823  75.194  6.5764  3.937386       8.957834 
1 1 1 -21 7   28 o 78.253  5.7381  780.967    108.192  791.125    131.859  760.038    189.266  77.807  7.0613  72.691  11.081  5.116425       13.13985 
1 1 1 -21 7   29 o 51.378  6.4871  344.357    79.069   376.053    92.599   259.048    151.916  53.204  7.3711  40.464  13.339  12.73935       15.23993 
1 1 1 -21 7   30 o 28.648  8.5061  113.431    63.419   99.437     73.144   155.810    127.289  27.222  9.2599  33.045  12.122  -5.822796      15.25436 
1 1 1 -21 7   31 o 42.526  6.3335  237.258    63.358   238.327    94.823   236.396    85.158   40.706  9.7323  41.103  8.8039  -0.3970261     13.12348 
1 1 1 -21 7   32 o 31.302  8.2282  136.566    63.318   69.441     88.331   207.512    90.811   25.177  9.8895  37.816  9.8123  -12.63947      13.93139 
1 1 1 -21 7   33 f 23.448  8.4900  68.044     62.144   181.780    83.894   -70.2311   92.503   35.430  9.5446  17.843  8.3828  17.58677       12.70317 
1 1 1 -21 7   34 o 34.992  9.6750  179.079    84.897   223.632    189.865  167.945    94.914   36.904  14.498  33.581  10.494  3.322239       17.89755 
1 1 1 -21 7   35 o 50.236  8.7575  355.502    102.868  232.895    204.508  397.030    119.021  36.994  14.876  52.329  9.7320  -15.33478      17.77695 
1 1 1 -21 7   36 o 30.713  10.224  140.050    89.171   118.360    179.541  147.152    102.738  31.098  13.324  31.284  10.960  -0.1853104     17.25247 
1 1 1 -21 7   37 o 25.284  8.4832  88.816     61.380   39.207     84.555   144.081    89.244   22.233  9.3168  30.872  10.226  -8.638580      13.83369 
1 1 1 -21 7   38 o 18.972  7.8975  25.381     60.178   10.455     80.136   44.683     91.129   19.918  8.7150  22.902  9.6385  -2.984201      12.99435 
1 1 1 -21 7   39 o 26.532  8.6673  102.522    64.195   90.505     85.513   118.039    97.170   25.710  9.8292  28.140  10.541  -2.429958      14.41262 
1 1 1 -21 7   40 o 9.7547  4.9058  -147.1329  52.290   -164.5400  68.901   -123.4895  80.301   11.700  5.8481  14.186  6.9453  -2.486845      9.079481 
1 1 1 -21 7   41 o 28.866  8.6417  126.338    65.258   78.474     86.565   189.350    99.324   24.406  9.7252  33.565  10.766  -9.159685      14.50802 
1 1 1 -21 7   42 o 20.651  8.3510  46.665     64.838   71.364     89.325   19.160     94.264   23.805  9.7361  20.973  9.3028  2.831915       13.46599 
1 1 1 -21 7   43 o 10.151  5.0839  -134.0954  53.270   -140.1481  77.186   -128.5905  73.611   13.195  6.5267  13.065  6.4458  0.1303291      9.173079 
1 1 1 -21 7   44 o 26.778  10.095  115.028    89.402   152.242    101.450  -14.3321   189.147  29.589  10.827  24.366  11.606  5.223007       15.87203 
1 1 1 -21 7   45 o 26.697  9.7903  114.230    83.016   148.199    93.640   -10.4995   179.434  29.423  10.449  24.041  11.408  5.382446       15.47016 
1 1 1 -21 7   46 o 15.678  7.0729  -9.5196    57.024   -13.4730   76.720   -4.6393    85.240   17.636  8.0534  18.854  8.5626  -1.217804      11.75484 
1 1 1 -21 7   47 o 51.264  6.1492  360.252    74.962   264.799    102.552  469.769    109.848  39.496  10.515  56.139  8.3157  -16.64343      13.40564 
1 1 1 -21 7   48 o 46.779  10.391  363.848    114.874  486.265    283.507  339.802    125.650  38.111  16.538  43.271  11.691  -5.159481      20.25272 
1 1 1 -21 7   49 o 58.776  9.7227  554.418    133.813  18.968     315.011  672.310    147.811  27.417  13.490  64.808  9.6979  -37.39047      16.61383 
1 1 1 -21 7   50 o 27.611  10.526  133.947    97.898   -36.1955   296.177  154.816    103.729  25.827  12.776  29.049  10.889  -3.222467      16.78709 
1 1 1 -21 8   1  o 73.771  4.3680  670.394    77.839   711.810    109.036  627.353    111.155  75.528  5.9991  70.686  6.5555  4.842445       8.886151 
1 1 1 -21 8   2  o 16.973  6.8971  15.681     44.464   -17.4903   65.348   44.278     60.675   17.544  7.7656  21.793  8.2920  -4.248804      11.36054 
1 1 1 -21 8   3  o 24.428  9.6803  46.701     85.332   59.875     100.522  12.723     161.435  26.722  10.533  29.122  12.558  -2.400190      16.39041 
1 1 1 -21 8   4  o ?       ?       -394.7195  73.694   -383.9991  82.359   -437.7759  165.055  ?       ?       17.879  8.9538  0.000000       8.953822 
1 1 1 -21 8   5  o 61.980  9.4048  499.178    136.997  499.178    136.997  0.0000     0.0000   61.980  9.4048  ?       ?       0.000000       9.404800 
1 1 1 -21 8   6  o 105.832 8.2304  1419.50    209.688  1419.50    209.688  0.0000     0.0000   105.832 8.2304  ?       ?       0.000000       8.230409 
1 1 1 -21 8   7  o 109.551 6.3061  1494.10    166.919  1494.10    166.919  0.0000     0.0000   109.551 6.3061  ?       ?       0.000000       6.306120 
1 1 1 -21 8   8  o 68.443  4.9464  579.282    81.592   855.265    119.618  339.147    111.579  82.899  5.9871  50.888  9.3822  32.01073       11.12973 
1 1 1 -21 8   9  o ?       ?       -93.7148   16.355   -216.7590  78.621   -88.1496   16.720   12.339  6.1795  ?       ?       0.000000       6.179542 
1 1 1 -21 8   10 o 35.634  7.6418  165.075    64.090   80.518     111.998  206.247    78.151   29.033  11.211  39.721  8.3727  -10.68788      13.99221 
1 1 1 -21 8   11 o 13.503  6.2745  -42.1360   49.540   76.597     84.233   -104.9235  61.254   26.734  9.8530  12.756  6.2056  13.97777       11.64438 
1 1 1 -21 8   12 o 84.707  4.4436  883.669    91.013   934.087    133.851  840.314    124.121  86.406  6.4303  81.987  6.2872  4.419815       8.993256 
1 1 1 -21 8   13 o 74.370  6.3036  692.936    112.680  831.893    209.562  636.423    133.644  79.017  11.248  70.601  7.9391  8.416519       13.76731 
1 1 1 -21 8   14 o 60.627  6.8265  465.212    98.675   525.764    193.113  443.816    114.791  61.292  13.362  58.633  8.3007  2.659615       15.73033 
1 1 1 -21 8   15 o 62.606  7.1232  498.167    106.280  475.351    206.974  506.337    123.856  57.264  14.792  62.603  8.3627  -5.338898      16.99202 
1 1 1 -21 8   16 o 26.936  8.9825  90.027     68.818   284.805    169.350  51.500     75.317   44.813  14.020  23.733  9.1852  21.08032       16.76088 
1 1 1 -21 8   17 o 38.040  9.1304  193.830    83.204   0.0000     0.0000   193.830    83.204   ?       ?       38.040  9.1304  0.000000       9.130395 
1 1 1 -21 8   18 o 58.950  6.8941  443.361    96.748   0.0000     0.0000   443.361    96.748   ?       ?       58.950  6.8941  0.000000       6.894121 
1 1 1 -21 8   19 o 84.421  6.2102  898.226    126.317  0.0000     0.0000   898.226    126.317  ?       ?       84.421  6.2102  0.000000       6.210233 
1 1 1 -21 8   20 o 88.999  4.5248  981.691    97.390   1022.84    144.356  947.313    131.939  89.754  6.6763  86.557  6.3260  3.196983       9.197302 
1 1 1 -21 8   21 o 96.928  4.1850  1159.68    98.427   953.987    136.430  1382.95    142.138  86.637  6.5381  105.006 5.5989  -18.36916      8.607837 
1 1 1 -21 8   22 o 57.934  4.7578  419.541    66.290   417.250    90.978   422.134    96.789   56.966  6.7108  57.094  7.1431  -0.1278801     9.800905 
1 1 1 -21 8   23 o 66.641  5.0501  557.143    81.052   482.607    101.024  691.793    135.783  61.109  6.9362  72.718  7.8184  -11.60905      10.45170 
1 1 1 -21 8   24 o 77.792  4.4270  753.672    83.216   693.709    116.146  816.922    119.287  73.485  6.5837  80.035  6.1907  -6.549812      9.037153 
1 1 1 -21 8   25 o 79.769  4.4376  793.526    85.551   792.894    119.712  794.185    122.303  78.653  6.3263  78.622  6.4684  0.3017426E-01  9.047783 
1 1 1 -21 8   26 o 76.868  4.4597  738.252    82.823   774.112    115.617  700.453    118.702  77.701  6.1836  73.531  6.7277  4.170113       9.137712 
1 1 1 -21 8   27 o 66.341  6.1000  565.905    97.092   612.516    116.459  459.665    175.821  68.356  7.1263  54.140  13.445  14.21603       15.21698 
1 1 1 -21 8   28 o 36.697  8.0250  184.467    69.465   166.320    80.873   235.526    135.653  34.226  9.4346  39.069  12.587  -4.843094      15.73031 
1 1 1 -21 8   29 o 16.203  7.1229  -6.1867    54.085   -15.7370   61.442   26.683     113.987  16.624  7.4332  24.437  10.545  -7.812828      12.90157 
1 1 1 -21 8   30 o 71.178  4.5926  637.468    78.894   595.343    109.817  682.400    113.416  67.359  6.8127  72.367  6.5294  -5.008408      9.436411 
1 1 1 -21 8   31 o 46.480  6.7650  285.950    74.057   301.691    103.438  269.396    106.076  45.962  9.5854  42.853  10.324  3.108738       14.08775 
1 1 1 -21 8   32 o 61.343  5.6747  484.572    83.507   560.105    116.408  404.491    119.861  64.597  7.5704  53.256  9.6301  11.34113       12.24947 
1 1 1 -21 8   33 o 109.158 5.9451  1538.70    156.870  2040.20    321.260  1381.70    179.757  116.677 11.497  101.852 7.3226  14.82584       13.63094 
1 1 1 -21 8   34 f 83.684  7.2443  936.457    145.646  1028.61    277.386  901.382    171.134  76.549  15.467  80.211  8.9454  -3.662437      17.86712 
1 1 1 -21 8   35 o 56.461  8.5379  447.137    113.315  820.752    242.787  343.084    128.127  68.028  15.102  46.855  11.382  21.17340       18.91145 
1 1 1 -21 8   36 o 29.505  8.7292  126.242    66.879   203.930    95.889   52.650     93.327   36.380  10.362  23.760  9.8581  12.62000       14.30253 
1 1 1 -21 8   37 f 71.677  5.3727  666.548    92.761   552.077    128.800  789.904    133.705  61.982  8.8124  76.002  7.3417  -14.02069      11.46992 
1 1 1 -21 8   38 o 71.581  5.2119  664.953    89.901   630.397    126.406  700.322    127.885  66.938  7.9374  71.049  7.5331  -4.110870      10.94299 
1 1 1 -21 8   39 o 43.376  7.1818  262.550    72.941   206.137    99.289   328.690    107.509  35.486  10.667  46.067  9.9120  -10.58106      14.56167 
1 1 1 -21 8   40 o 16.519  7.3793  -5.9790    60.405   -26.4611   81.461   19.038     90.029   17.782  8.1858  20.842  9.1754  -3.060886      12.29616 
1 1 1 -21 8   41 o 20.688  8.3063  47.805     63.649   56.877     86.450   37.067     94.058   22.719  9.4622  21.950  9.5252  0.7689381      13.42615 
1 1 1 -21 8   42 o 17.640  7.6563  12.942     60.789   139.206    84.987   -119.3273  86.984   29.091  9.9807  14.868  7.2681  14.22372       12.34663 
1 1 1 -21 8   43 o 13.301  6.4908  -97.5347   68.493   -109.8712  73.520   -16.4638   188.469  13.551  6.6365  24.278  11.570  -10.72737      13.33799 
1 1 1 -21 8   44 o 26.738  10.068  115.471    88.881   105.071    96.050   177.443    234.463  25.978  10.278  29.996  13.837  -4.017561      17.23661 
1 1 1 -21 8   45 o 34.173  10.134  197.775    90.053   240.575    100.903  30.244     199.632  37.258  10.636  25.671  12.138  11.58691       16.13865 
1 1 1 -21 8   46 o 22.942  8.4733  75.230     62.355   87.254     85.454   61.537     91.191   24.527  9.6975  22.943  9.6481  1.583971       13.67946 
1 1 1 -21 8   47 o 22.778  8.4644  73.694     62.412   75.694     84.947   71.348     92.003   23.634  9.5582  23.587  9.7874  0.4693031E-01  13.68038 
1 1 1 -21 8   48 o 25.306  10.378  95.674     101.837  155.857    287.036  87.007     108.923  29.395  14.081  24.942  10.519  4.452991       17.57688 
1 1 1 -21 8   49 o 13.451  6.6241  -122.2379  76.545   -165.4535  273.620  -118.5687  79.729   23.830  11.871  13.914  6.8339  9.916466       13.69746 
1 1 1 -21 8   50 o 29.120  11.057  162.995    107.746  402.030    303.352  128.485    115.261  32.401  15.209  26.696  11.005  5.704231       18.77299 
1 1 1 -21 9   1  o 67.424  6.9310  574.106    111.775  534.572    131.479  677.154    212.271  64.349  8.6390  70.187  12.941  -5.838692      15.55973 
1 1 1 -21 9   2  o 57.948  7.4721  427.934    102.615  456.708    120.770  353.228    194.598  59.442  8.6252  49.821  14.925  9.621181       17.23766 
1 1 1 -21 9   3  o 24.506  9.3527  57.051     77.339   68.470     87.054   14.281     168.473  26.255  9.9460  29.670  12.812  -3.415026      16.21911 
1 1 1 -21 9   4  o 31.104  10.507  119.963    94.170   119.963    94.170   0.0000     0.0000   31.104  10.507  ?       ?       0.000000       10.50724 
1 1 1 -21 9   5  o 104.485 7.7492  1379.60    195.059  1379.60    195.059  0.0000     0.0000   104.485 7.7492  ?       ?       0.000000       7.749184 
1 1 1 -21 9   6  o 18.770  8.3024  -18.6418   74.574   -18.6418   74.574   0.0000     0.0000   18.770  8.3024  ?       ?       0.000000       8.302417 
1 1 1 -21 9   7  o 97.058  4.9769  1163.06    116.814  1217.94    188.708  1128.96    148.737  98.007  8.0053  95.047  6.4881  2.959755       10.30439 
1 1 1 -21 9   8  o 19.153  7.2209  34.615     45.745   56.034     90.652   27.297     52.986   25.585  10.028  19.279  7.6318  6.306314       12.60199 
1 1 1 -21 9   9  o 37.122  6.8351  177.034    59.297   81.877     97.898   232.175    74.523   28.109  10.570  42.437  7.5123  -14.32788      12.96784 
1 1 1 -21 9   10 o 58.496  5.3186  425.879    74.664   478.065    114.564  387.348    98.442   61.122  7.9103  55.053  7.5697  6.069386       10.94866 
1 1 1 -21 9   11 o 54.327  5.4258  368.359    70.566   354.691    108.937  378.242    92.627   52.102  8.9389  54.505  7.1784  -2.403252      11.46443 
1 1 1 -21 9   12 o 28.315  9.2577  100.635    73.233   129.926    166.008  93.557     81.603   35.081  13.620  28.015  9.7703  7.066332       16.76197 
1 1 1 -21 9   13 o 94.058  6.1467  1105.93    139.511  1369.80    243.176  976.471    170.330  102.423 9.9088  87.397  8.1252  15.02599       12.81417 
1 1 1 -21 9   14 o 132.661 6.2923  2196.58    202.544  2468.42    336.545  2042.20    253.617  137.272 10.177  126.370 8.3177  10.90224       13.14334 
1 1 1 -21 9   15 o 130.917 4.4423  2110.61    141.114  2383.22    204.122  1861.05    195.302  138.220 6.0863  121.664 6.6409  16.55589       9.008047 
1 1 1 -21 9   16 o 31.525  8.2211  131.682    63.538   211.987    109.296  90.689     78.089   39.283  11.019  27.401  9.5575  11.88194       14.58671 
1 1 1 -21 9   17 o 32.848  9.0901  144.553    74.907   0.0000     0.0000   144.553    74.907   ?       ?       32.848  9.0901  0.000000       9.090122 
1 1 1 -21 9   18 o 74.326  6.3417  698.702    113.275  0.0000     0.0000   698.702    113.275  ?       ?       74.326  6.3417  0.000000       6.341743 
1 1 1 -21 9   19 o 41.127  7.7995  223.012    74.985   146.622    186.172  237.804    81.923   35.915  14.278  42.308  8.2768  -6.392357      16.50327 
1 1 1 -21 9   20 o 53.767  5.3451  364.010    68.808   315.900    102.628  403.297    92.740   48.448  9.0634  55.933  6.9858  -7.484558      11.44319 
1 1 1 -21 9   21 o 53.904  4.8895  364.236    63.256   329.825    85.864   405.077    93.542   50.324  7.2403  55.949  7.0468  -5.624931      10.10345 
1 1 1 -21 9   22 o 67.566  4.5332  569.111    73.887   451.053    101.291  703.372    108.018  58.886  7.2417  74.405  6.0351  -15.51903      9.426816 
1 1 1 -21 9   23 o 67.955  4.4284  575.716    72.620   482.209    98.550   686.815    107.421  61.075  6.7637  73.403  6.0862  -12.32803      9.098912 
1 1 1 -21 9   24 o 46.556  5.3273  275.578    59.095   236.536    78.409   326.917    89.913   41.921  8.0003  49.606  7.7212  -7.685013      11.11858 
1 1 1 -21 9   25 o 47.289  5.2650  284.468    59.387   251.669    82.337   320.032    85.737   43.097  8.1729  49.145  7.4212  -6.047928      11.03951 
1 1 1 -21 9   26 o 36.072  8.0601  177.947    68.769   124.127    79.883   332.001    135.152  29.957  9.6598  47.017  11.851  -17.05996      15.28896 
1 1 1 -21 9   27 o 36.042  8.0834  178.395    68.949   145.652    79.851   274.343    136.691  32.076  9.5494  42.069  12.487  -9.993774      15.72005 
1 1 1 -21 9   28 o 39.494  7.3935  210.196    68.247   193.603    79.484   256.750    133.137  37.083  8.9385  40.624  12.384  -3.541187      15.27310 
1 1 1 -21 9   29 o 80.006  4.4470  803.152    85.987   706.312    119.423  907.401    123.908  73.426  6.7796  83.832  6.1341  -10.40591      9.142798 
1 1 1 -21 9   30 o 66.671  5.1890  565.821    83.281   571.918    116.585  559.468    119.007  65.437  7.4769  64.493  7.7607  0.9439621      10.77651 
1 1 1 -21 9   31 o 81.826  4.8562  847.119    95.986   951.426    133.636  735.960    137.956  85.378  6.4997  73.898  7.8122  11.47924       10.16251 
1 1 1 -21 9   32 o 87.181  4.8534  962.706    102.260  974.065    143.633  951.030    145.622  85.828  6.9568  84.597  7.1615  1.231079       9.984225 
1 1 1 -21 9   33 o 77.701  7.2351  807.674    134.840  917.087    266.747  770.120    156.276  71.667  15.768  74.210  8.8537  -2.543243      18.08356 
1 1 1 -21 9   34 o 41.226  10.465  258.202    104.860  -32.8486   238.148  328.201    116.791  28.562  13.429  46.563  10.578  -18.00062      17.09476 
1 1 1 -21 9   35 o 27.457  8.9467  107.866    68.417   207.652    89.246   -34.3645   106.549  37.166  9.7683  20.373  9.3724  16.79327       13.53737 
1 1 1 -21 9   36 o 29.857  8.7120  130.625    67.026   82.982     90.923   187.329    99.194   25.576  10.038  34.405  10.724  -8.829401      14.68900 
1 1 1 -21 9   37 o 16.967  7.6035  -10.0335   64.671   98.384     90.497   -123.1847  92.452   26.538  10.120  15.681  7.6276  10.85641       12.67240 
1 1 1 -21 9   38 o 48.154  6.6262  316.499    75.371   214.727    107.819  413.765    105.405  35.781  11.185  53.474  8.4006  -17.69303      13.98871 
1 1 1 -21 9   39 o 37.752  7.9917  207.749    70.924   241.406    96.911   168.932    104.075  38.739  10.178  31.688  11.035  7.051798       15.01179 
1 1 1 -21 9   40 o 18.969  7.9721  27.788     62.199   49.701     84.759   2.2170     91.561   22.169  9.3110  19.961  8.9876  2.208971       12.94113 
1 1 1 -21 9   41 o 43.808  7.2584  274.183    74.453   234.704    101.942  319.312    108.995  36.960  10.733  43.968  10.383  -7.008411      14.93274 
1 1 1 -21 9   42 o 21.150  8.3518  55.670     63.309   31.604     92.294   77.058     87.006   21.261  9.3265  23.836  9.6616  -2.574112      13.42871 
1 1 1 -21 9   43 o 20.353  9.0485  19.079     89.681   9.7054     97.604   69.886     227.240  20.448  9.2364  27.189  12.884  -6.741896      15.85256 
1 1 1 -21 9   44 o 39.636  10.087  262.062    97.252   308.478    107.780  58.684     225.610  42.672  10.485  26.864  12.761  15.80788       16.51578 
1 1 1 -21 9   45 o 23.299  8.6450  78.699     65.055   103.881    87.850   48.122     96.804   25.786  9.9367  22.365  9.6842  3.421320       13.87522 
1 1 1 -21 9   46 o 16.825  7.4499  3.0286     60.197   35.571     81.521   -35.9911   89.267   20.743  8.9345  17.801  8.3219  2.942192       12.20978 
1 1 1 -21 9   47 o 22.799  9.7863  56.778     97.176   -52.3460   280.407  71.673     103.596  25.911  12.744  23.911  10.179  2.000050       16.31077 
1 1 1 -21 9   48 o 18.675  8.6714  -20.9497   94.332   233.906    281.592  -53.1656   100.117  30.414  14.391  17.951  8.5195  12.46223       16.72392 
1 1 1 -21 9   49 o 31.848  10.928  192.131    101.885  40.037     322.953  208.941    107.368  26.721  13.241  32.853  11.219  -6.132490      17.35445 
1 1 1 -21 10  1  o 55.805  7.9991  401.032    105.215  375.706    119.999  485.237    218.805  53.317  9.6301  57.713  15.356  -4.395527      18.12574 
1 1 1 -21 10  2  o 51.418  8.3745  343.026    100.885  302.622    116.496  464.200    201.747  47.460  10.403  56.939  14.549  -9.478279      17.88567 
1 1 1 -21 10  3  o 88.892  6.3680  988.663    136.441  838.936    163.882  1326.88    246.309  80.901  8.4744  100.791 10.213  -19.88960      13.27066 
1 1 1 -21 10  4  o 38.052  8.8926  191.440    80.628   191.440    80.628   0.0000     0.0000   38.052  8.8926  ?       ?       0.000000       8.892556 
1 1 1 -21 10  5  o 94.698  6.0681  1117.95    138.697  1117.95    138.697  0.0000     0.0000   94.698  6.0681  ?       ?       0.000000       6.068097 
1 1 1 -21 10  6  o 90.747  4.2647  1010.77    93.904   931.510    131.537  1093.14    134.100  86.307  6.3252  93.694  5.9293  -7.387024      8.669749 
1 1 1 -21 10  7  o 39.266  5.9161  195.234    54.616   229.071    85.297   171.722    71.104   41.744  8.7032  36.155  8.2830  5.589489       12.01467 
1 1 1 -21 10  8  o 91.533  4.4224  1029.49    98.220   1226.08    149.188  879.089    130.490  99.093  6.2366  83.752  6.4714  15.34081       8.987461 
1 1 1 -21 10  9  o 48.088  6.0184  291.433    68.684   344.987    111.944  259.101    86.981   51.174  9.3604  44.551  8.3533  6.623444       12.54570 
1 1 1 -21 10  10 o 41.008  6.8009  215.478    65.299   300.049    104.142  160.688    83.824   47.625  9.3458  34.746  9.6162  12.87970       13.40956 
1 1 1 -21 10  11 o 101.390 6.3733  1287.27    155.994  1345.37    293.356  1264.36    184.195  99.549  12.415  99.793  7.6655  -0.2443390     14.59061 
1 1 1 -21 10  12 o 92.938  6.2526  1081.97    140.180  1451.49    255.861  923.482    167.567  105.145 10.155  84.843  8.2438  20.30209       13.08007 
1 1 1 -21 10  13 o 56.653  8.4243  417.474    112.278  0.0000     0.0000   417.474    112.278  ?       ?       56.653  8.4243  0.000000       8.424344 
1 1 1 -21 10  14 o 26.579  8.1311  91.030     57.326   25.167     92.664   131.864    72.963   23.427  9.7801  31.530  9.0580  -8.103256      13.33034 
1 1 1 -21 10  15 o 96.876  4.4081  1156.79    103.618  1227.91    148.304  1088.97    144.832  98.869  6.2136  92.957  6.4614  5.912376       8.964286 
1 1 1 -21 10  16 o 55.910  6.9762  400.434    92.581   0.0000     0.0000   400.434    92.581   ?       ?       55.910  6.9762  0.000000       6.976224 
1 1 1 -21 10  17 o 35.207  8.6706  166.570    73.582   0.0000     0.0000   166.570    73.582   ?       ?       35.207  8.6706  0.000000       8.670623 
1 1 1 -21 10  18 o 108.540 5.3934  1469.35    142.042  1367.03    289.491  1501.79    163.013  98.704  12.358  109.111 6.1827  -10.40727      13.81868 
1 1 1 -21 10  19 o 134.540 4.5613  2242.73    148.904  2403.38    213.585  2090.81    207.701  137.906 6.3830  128.217 6.6994  9.688354       9.253369 
1 1 1 -21 10  20 o 87.540  4.7385  954.915    100.275  833.312    125.820  1166.62    166.014  80.840  6.4686  95.161  7.2442  -14.32155      9.711966 
1 1 1 -21 10  21 f 68.780  4.4717  589.401    74.221   552.381    101.943  631.160    108.273  65.637  6.4858  70.231  6.4249  -4.593918      9.129369 
1 1 1 -21 10  22 o 29.202  6.8953  113.437    48.075   42.542     62.871   213.251    74.600   21.399  8.3614  39.820  7.9987  -18.42045      11.57120 
1 1 1 -21 10  23 o 71.153  4.3653  631.456    75.001   544.113    104.120  725.651    108.128  64.828  6.7167  75.433  5.9561  -10.60481      8.977133 
1 1 1 -21 10  24 f 53.514  4.9678  361.804    63.769   296.922    85.098   444.896    96.303   47.141  7.7060  58.352  6.9377  -11.21104      10.36890 
1 1 1 -21 10  25 o 52.898  6.6071  365.015    82.955   422.284    99.277   232.527    151.001  56.451  7.4283  38.763  13.303  17.68810       15.23687 
1 1 1 -21 10  26 o 47.939  6.9989  303.900    79.012   280.737    92.548   366.174    151.745  45.018  8.7879  48.473  12.736  -3.455025      15.47364 
1 1 1 -21 10  27 o 20.002  7.7710  38.983     54.071   -2.8802    61.476   182.029    113.639  17.449  7.6340  34.956  11.537  -17.50692      13.83422 
1 1 1 -21 10  28 o 52.634  5.0942  352.841    64.244   364.630    88.692   339.827    93.183   52.351  7.1707  50.033  7.9410  2.318306       10.69944 
1 1 1 -21 10  29 o 35.437  7.5333  171.514    62.779   170.904    91.703   172.052    86.126   34.136  10.250  34.408  9.8277  -0.2718506     14.19995 
1 1 1 -21 10  30 o 42.616  6.8626  242.310    68.552   272.607    96.718   211.723    97.179   43.638  9.4111  37.792  10.311  5.845890       13.96014 
1 1 1 -21 10  31 o 39.850  7.4212  216.218    69.118   297.334    101.505  146.094    94.378   45.445  9.5107  31.573  10.519  13.87169       14.18078 
1 1 1 -21 10  32 o 27.880  10.016  106.999    86.287   -137.8189  206.313  158.902    94.995   24.841  11.910  32.597  10.536  -7.755703      15.90169 
1 1 1 -21 10  33 o 21.132  9.1931  14.045     88.044   -57.6274   201.403  30.977     97.893   26.264  12.349  22.928  9.8315  3.335688       15.78448 
1 1 1 -21 10  34 o 28.683  10.241  119.024    90.069   122.917    214.405  118.190    99.252   31.859  14.086  28.753  10.676  3.106588       17.67446 
1 1 1 -21 10  35 o 51.724  6.3791  357.523    78.364   390.622    107.747  320.353    114.179  52.032  8.8513  45.463  10.554  6.569489       13.77401 
1 1 1 -21 10  36 o 54.804  6.1054  400.055    79.807   388.982    108.974  412.863    117.202  51.468  9.0568  52.566  9.5403  -1.097881      13.15461 
1 1 1 -21 10  37 o 29.148  9.2362  129.201    73.274   163.080    98.412   87.054     109.766  31.689  10.741  26.137  10.753  5.552273       15.19878 
1 1 1 -21 10  38 o 21.204  8.3319  52.658     62.720   65.133     87.702   39.598     89.730   23.569  9.6443  22.033  9.4292  1.535721       13.48789 
1 1 1 -21 10  39 o 23.611  8.6520  78.651     64.816   48.992     87.637   114.465    96.303   22.307  9.4234  27.175  10.421  -4.868458      14.04981 
1 1 1 -21 10  40 o 18.906  8.0375  25.685     64.419   -11.0118   91.342   61.999     90.864   19.184  8.7708  23.118  9.6707  -3.933939      13.05562 
1 1 1 -21 10  41 o 37.468  8.0529  210.270    71.031   172.541    97.379   253.170    103.838  31.400  10.684  38.212  10.748  -6.812567      15.15529 
1 1 1 -21 10  42 o 33.600  10.549  197.472    95.788   168.895    104.440  348.839    240.366  30.627  11.018  35.007  15.209  -4.379946      18.78060 
1 1 1 -21 10  43 o 16.288  7.7554  -61.8397   84.295   -35.0604   91.142   -220.2373  221.663  17.959  8.3999  21.703  10.791  -3.744463      13.67477 
1 1 1 -21 10  44 o 20.844  8.3694  52.294     64.622   102.738    87.609   -7.9034    95.705   25.633  9.9104  19.475  8.9312  6.157532       13.34095 
1 1 1 -21 10  45 o 19.088  8.0286  31.347     63.171   -27.2309   87.968   93.720     90.773   18.023  8.3705  25.035  9.9642  -7.011812      13.01347 
1 1 1 -21 10  46 o 27.109  10.393  122.169    95.776   33.488     283.642  133.581    101.752  27.253  13.279  27.913  10.710  -0.6597672     17.05993 
1 1 1 -21 10  47 o 14.638  7.1218  -97.9615   80.712   243.936    273.349  -130.6170  84.479   30.753  14.436  14.137  6.9614  16.61573       16.02667 
1 1 1 -21 10  48 o 21.957  9.4754  53.153     92.044   257.319    288.793  30.069     97.108   30.117  14.344  20.981  9.3658  9.135845       17.13092 
1 1 1 -21 11  1  o 40.633  10.827  224.659    108.671  187.962    125.241  336.465    218.609  37.470  12.097  48.205  16.006  -10.73506      20.06318 
1 1 1 -21 11  2  o 18.503  7.6498  14.959     55.914   -28.2261   107.767  30.866     65.406   22.181  9.8863  21.026  8.4278  1.155113       12.99105 
1 1 1 -21 11  3  o 98.218  6.0300  1203.92    143.010  1203.92    143.010  0.0000     0.0000   98.218  6.0300  ?       ?       0.000000       6.029972 
1 1 1 -21 11  4  o 68.046  6.4973  582.758    105.972  582.758    105.972  0.0000     0.0000   68.046  6.4973  ?       ?       0.000000       6.497349 
1 1 1 -21 11  5  o 119.583 4.6894  1761.01    136.067  1774.04    174.126  1740.57    218.059  119.305 6.0347  117.193 7.7115  2.111641       9.792102 
1 1 1 -21 11  6  o 65.907  4.8710  538.334    77.344   631.100    107.387  438.346    111.489  70.905  6.3077  58.333  8.0951  12.57190       10.26247 
1 1 1 -21 11  7  o 92.680  4.2820  1055.34    96.293   1203.82    141.875  928.523    131.119  98.234  5.9807  86.088  6.3213  12.14602       8.702171 
1 1 1 -21 11  8  o 13.652  6.1867  -23.4002   44.196   -59.9396   78.000   -6.1220    53.637   17.055  7.9072  16.498  7.1761  0.5570984      10.67799 
1 1 1 -21 11  9  o 29.008  9.0409  108.456    70.498   -141.1041  201.596  143.227    75.249   26.774  12.513  32.864  9.1167  -6.090845      15.48207 
1 1 1 -21 11  10 o 100.344 6.3644  1262.44    154.155  1399.75    288.596  1207.62    182.349  101.770 11.912  97.358  7.7842  4.411682       14.23028 
1 1 1 -21 11  11 o 72.840  6.6934  670.448    116.974  708.222    240.605  658.756    133.858  70.066  14.625  71.683  7.8230  -1.616837      16.58582 
1 1 1 -21 11  12 o 26.345  9.4753  79.799     77.238   230.069    205.539  55.089     83.347   41.586  15.379  24.687  9.6323  16.89898       18.14655 
1 1 1 -21 11  13 o 27.516  8.1559  98.722     58.342   64.787     93.375   120.454    74.723   26.206  10.204  30.278  9.2867  -4.072281      13.79698 
1 1 1 -21 11  14 o 44.397  6.3334  251.689    66.293   340.974    102.481  187.443    86.931   50.860  8.6116  37.193  9.5755  13.66679       12.87823 
1 1 1 -21 11  15 o 40.753  8.8423  222.600    84.922   0.0000     0.0000   222.600    84.922   ?       ?       40.753  8.8423  0.000000       8.842271 
1 1 1 -21 11  16 o 15.401  7.1520  -50.0266   64.196   0.0000     0.0000   -50.0266   64.196   ?       ?       15.401  7.1520  0.000000       7.152039 
1 1 1 -21 11  17 o 108.588 6.2772  1490.58    164.685  0.0000     0.0000   1490.58    164.685  ?       ?       108.588 6.2772  0.000000       6.277191 
1 1 1 -21 11  18 o 44.680  5.9679  255.081    63.083   274.710    100.655  242.384    80.954   44.804  9.5507  42.669  8.1159  2.135525       12.53328 
1 1 1 -21 11  19 o 22.180  7.3433  61.345     46.023   49.253     60.682   77.718     70.614   21.912  8.3032  25.407  9.0682  -3.495121      12.29531 
1 1 1 -21 11  20 o 58.562  4.7374  429.533    66.741   414.756    91.062   446.684    98.103   56.642  6.7592  58.663  7.0323  -2.020790      9.754018 
1 1 1 -21 11  21 o 99.331  4.2660  1223.94    102.817  1146.95    143.391  1305.41    147.507  94.779  6.2706  101.326 6.0268  -6.547356      8.697287 
1 1 1 -21 11  22 o 36.457  5.9684  172.457    50.969   177.548    67.329   165.622    78.005   36.218  7.8852  34.476  9.1666  1.741333       12.09142 
1 1 1 -21 11  23 o 22.236  7.4677  62.363     47.564   -33.8683   62.642   193.381    73.092   15.819  7.2439  37.599  8.2394  -21.77980      10.97090 
1 1 1 -21 11  24 o 53.118  5.9433  363.443    75.288   380.815    85.520   303.593    158.736  53.994  6.6694  43.603  13.562  10.39116       15.11356 
1 1 1 -21 11  25 o 59.356  6.3833  457.803    90.489   459.269    107.072  454.139    169.273  58.589  7.7197  53.794  13.092  4.794666       15.19877 
1 1 1 -21 11  26 o 45.585  7.0222  276.233    75.177   306.608    86.853   185.499    150.112  47.618  7.7863  35.201  13.118  12.41689       15.25479 
1 1 1 -21 11  27 o 53.612  5.2973  367.494    68.008   369.358    96.345   365.643    96.012   52.241  7.8430  51.962  7.8608  0.2790298      11.10422 
1 1 1 -21 11  28 o 25.149  8.3807  84.456     59.910   153.993    88.005   24.396     81.788   32.539  10.095  21.450  9.0848  11.08877       13.58074 
1 1 1 -21 11  29 o 24.234  8.3921  76.527     60.154   -11.1000   82.800   174.470    87.538   19.409  8.6571  34.504  9.9243  -15.09530      13.16954 
1 1 1 -21 11  30 o 18.278  7.7364  14.191     59.252   -30.5214   86.122   54.380     81.648   18.749  8.5504  23.436  9.4083  -4.686546      12.71321 
1 1 1 -21 11  31 o 20.793  9.0943  8.0177     87.182   191.645    197.509  -36.4179   97.159   35.051  14.423  19.589  8.9889  15.46256       16.99471 
1 1 1 -21 11  32 o 19.833  8.8180  -4.3025    85.178   -220.5881  197.582  45.070     94.401   22.465  10.976  23.508  9.8474  -1.042759      14.74616 
1 1 1 -21 11  33 o 31.488  10.800  151.477    99.506   431.373    234.605  90.078     109.880  45.068  16.469  27.071  10.898  17.99758       19.74796 
1 1 1 -21 11  34 o 24.096  8.7012  77.513     65.210   -12.3139   94.375   159.587    90.209   20.098  9.0800  32.154  10.254  -12.05672      13.69668 
1 1 1 -21 11  35 o 24.754  8.7600  85.232     65.762   134.778    89.796   27.921     96.576   29.622  10.254  22.187  9.6401  7.435032       14.07368 
1 1 1 -21 11  36 o 41.547  7.7246  245.593    75.006   214.560    104.325  278.798    107.915  36.011  10.959  41.596  10.647  -5.585068      15.27962 
1 1 1 -21 11  37 o 20.012  8.1269  39.780     61.684   58.337     86.603   20.672     87.879   23.048  9.5241  20.803  9.1138  2.244797       13.18217 
1 1 1 -21 11  38 o 9.6677  4.8715  -153.6116  52.942   -168.2056  75.708   -139.6447  74.063   12.407  6.1908  12.893  6.3800  -0.4855680     8.889898 
1 1 1 -21 11  39 o 28.725  8.8822  128.947    68.197   225.781    93.149   17.081     100.118  36.960  10.099  21.165  9.4742  15.79544       13.84774 
1 1 1 -21 11  40 o 62.869  5.7674  533.806    86.998   515.801    120.033  553.732    126.271  58.199  8.7725  60.105  8.9297  -1.906162      12.51783 
1 1 1 -21 11  41 o 22.679  9.4803  61.981     87.232   79.556     92.837   -70.5223   254.906  24.050  9.8913  25.053  12.288  -1.002666      15.77424 
1 1 1 -21 11  42 o 41.032  10.226  283.788    101.449  315.756    110.820  118.391    252.073  42.754  10.706  28.333  13.468  14.42022       17.20477 
1 1 1 -21 11  43 o 58.882  5.8718  472.325    82.773   477.430    115.998  467.028    118.150  55.575  8.9027  54.484  9.2691  1.090450       12.85198 
1 1 1 -21 11  44 o 24.537  8.9287  91.584     68.856   -6.1258    96.619   192.424    98.154   19.613  8.9867  32.910  10.716  -13.29724      13.98527 
1 1 1 -21 11  45 o 31.578  8.5586  156.201    67.216   139.463    93.219   174.327    97.008   28.498  10.386  31.324  10.664  -2.826298      14.88593 
1 1 1 -21 11  46 o 27.883  10.850  136.763    105.535  150.999    310.206  134.899    112.230  28.978  14.067  27.690  11.061  1.287889       17.89452 
1 1 1 -21 11  47 o 18.919  8.7210  -9.0879    92.884   -85.1406   302.999  -1.1999    97.582   25.140  12.518  19.599  8.9992  5.540163       15.41719 
1 1 1 -21 11  48 o 17.823  8.3602  -27.8056   91.392   -23.8776   307.880  -28.1852   95.705   25.247  12.579  18.145  8.5255  7.101290       15.19593 
1 1 1 -21 12  1  o 46.367  5.8520  271.413    64.371   234.071    93.274   305.371    88.948   41.810  9.4202  48.538  7.8181  -6.727989      12.24187 
1 1 1 -21 12  2  o 35.950  10.027  173.824    90.763   173.824    90.763   0.0000     0.0000   35.950  10.027  ?       ?       0.000000       10.02676 
1 1 1 -21 12  3  o 20.827  8.8853  6.6711     79.227   6.6711     79.227   0.0000     0.0000   20.827  8.8853  ?       ?       0.000000       8.885293 
1 1 1 -21 12  4  o 45.564  9.0942  275.056    97.020   275.056    97.020   0.0000     0.0000   45.564  9.0942  ?       ?       0.000000       9.094216 
1 1 1 -21 12  5  o 36.114  9.8586  175.157    88.809   175.157    88.809   0.0000     0.0000   36.114  9.8586  ?       ?       0.000000       9.858570 
1 1 1 -21 12  6  o 32.272  8.8416  138.012    71.280   165.421    87.749   84.838     122.220  35.133  9.8800  29.753  11.649  5.380131       15.27466 
1 1 1 -21 12  7  o 39.222  6.2843  196.460    57.788   279.582    92.919   144.033    73.795   46.107  8.6228  32.922  8.9864  13.18453       12.45423 
1 1 1 -21 12  8  o 47.412  7.7705  291.491    86.294   304.178    182.936  287.860    97.867   46.027  14.595  46.643  8.9731  -0.6168289     17.13255 
1 1 1 -21 12  9  o 56.705  7.1336  410.973    95.977   291.427    210.964  442.174    107.777  45.187  15.712  58.578  7.7748  -13.39173      17.53050 
1 1 1 -21 12  10 f 75.480  6.5461  719.526    118.703  978.189    242.893  638.365    136.057  84.359  12.222  70.324  8.1231  14.03591       14.67554 
1 1 1 -21 12  11 o 73.881  6.7632  692.089    119.895  958.073    244.556  607.931    137.561  83.116  12.514  68.377  8.4728  14.73978       15.11281 
1 1 1 -21 12  12 o 75.563  4.8380  709.203    88.236   864.107    133.247  588.230    117.753  82.588  6.7073  67.787  7.2727  14.80011       9.893477 
1 1 1 -21 12  13 o 123.403 4.5183  1880.93    135.288  2008.68    196.247  1765.24    186.760  126.237 6.4282  118.247 6.5346  7.989227       9.166391 
1 1 1 -21 12  14 o 82.171  6.3948  854.643    126.496  0.0000     0.0000   854.643    126.496  ?       ?       82.171  6.3948  0.000000       6.394819 
1 1 1 -21 12  15 o 59.974  6.9744  462.118    99.598   0.0000     0.0000   462.118    99.598   ?       ?       59.974  6.9744  0.000000       6.974419 
1 1 1 -21 12  16 o 43.169  8.6478  250.269    87.425   0.0000     0.0000   250.269    87.425   ?       ?       43.169  8.6478  0.000000       8.647809 
1 1 1 -21 12  17 o 13.264  6.2316  -49.4191   51.123   -66.6061   81.589   -38.3098   65.596   17.035  7.9612  16.149  7.4015  0.8853130      10.87032 
1 1 1 -21 12  18 o 40.176  5.8374  207.067    55.240   236.194    71.837   164.925    86.408   42.388  7.2448  34.468  9.8434  7.920429       12.22213 
1 1 1 -21 12  19 o 50.867  5.0443  326.303    61.439   365.985    84.795   282.448    89.143   53.156  6.7248  45.839  8.3211  7.316692       10.69877 
1 1 1 -21 12  20 o 13.614  6.0715  -12.9383   40.710   -69.7742   54.965   56.126     60.590   12.910  6.1787  22.468  8.3418  -9.557606      10.38081 
1 1 1 -21 12  21 o 118.571 4.3501  1748.50    125.152  1568.34    175.753  1933.83    178.257  110.395 6.5914  123.382 5.9543  -12.98765      8.882566 
1 1 1 -21 12  22 o 62.223  4.6025  485.995    68.994   477.308    94.941   495.717    100.437  60.641  6.5568  61.644  6.8296  -1.002682      9.467563 
1 1 1 -21 12  23 o 56.790  5.6826  413.193    77.253   428.700    87.769   359.866    162.762  57.455  6.4048  47.467  13.494  9.987896       14.93658 
1 1 1 -21 12  24 o 27.376  8.3730  102.561    60.792   92.125     68.815   139.644    129.727  26.356  8.9817  31.994  12.136  -5.638290      15.09840 
1 1 1 -21 12  25 o 52.235  6.8510  360.164    84.739   439.117    99.749   155.436    160.625  57.429  7.3252  33.526  13.283  23.90303       15.16865 
1 1 1 -21 12  26 o 33.207  7.1964  149.673    56.310   107.175    79.306   192.880    79.967   28.005  9.6394  36.850  9.0171  -8.845606      13.19944 
1 1 1 -21 12  27 o 30.638  8.1582  131.031    61.728   158.059    85.344   101.380    89.390   32.962  9.8858  27.710  10.160  5.252007       14.17556 
1 1 1 -21 12  28 o 26.763  8.3792  98.857     60.479   86.194     84.622   112.079    86.468   26.188  9.8314  28.492  10.049  -2.304844      14.05838 
1 1 1 -21 12  29 o 24.642  8.4892  80.433     61.516   -63.4217   88.521   214.786    85.548   17.585  8.2420  38.578  9.2573  -20.99299      12.39463 
1 1 1 -21 12  30 o 16.754  7.6852  -33.1754   70.927   -20.4692   150.896  -36.7789   80.358   24.566  11.247  17.734  8.1514  6.832649       13.89018 
1 1 1 -21 12  31 o 28.755  10.290  117.944    90.984   88.215     181.398  127.937    105.171  29.952  13.108  29.784  11.004  0.1679764      17.11466 
1 1 1 -21 12  32 o 24.234  9.7587  64.098     88.136   35.594     181.905  72.842     100.752  27.766  12.570  25.518  10.377  2.247469       16.29985 
1 1 1 -21 12  33 o 19.153  7.9026  28.113     59.498   104.144    82.129   -55.8640   86.313   27.051  9.7654  17.367  8.1393  9.684574       12.71265 
1 1 1 -21 12  34 o 26.647  8.6604  103.086    64.124   36.877     89.128   174.133    92.327   22.163  9.4388  33.195  10.346  -11.03178      14.00498 
1 1 1 -21 12  35 o 20.222  8.2913  37.705     64.982   58.223     89.730   15.077     94.232   23.394  9.6830  21.149  9.3450  2.244293       13.45689 
1 1 1 -21 12  36 o 21.157  8.3183  52.251     62.549   140.193    84.008   -57.1480   93.698   29.734  9.9247  17.769  8.3754  11.96464       12.98645 
1 1 1 -21 12  37 o 13.649  6.5102  -59.3584   59.961   -121.4859  80.308   18.902     90.134   14.135  6.9255  20.715  9.1470  -6.580368      11.47304 
1 1 1 -21 12  38 o 54.735  6.1131  408.290    79.801   428.367    110.872  386.709    114.949  53.031  8.9340  49.094  9.9895  3.936966       13.40176 
1 1 1 -21 12  39 o 31.577  8.9700  158.476    71.951   175.806    94.150   134.146    111.559  31.818  10.501  28.049  11.083  3.769009       15.26824 
1 1 1 -21 12  40 o 16.200  7.3705  -12.8017   63.515   -25.3970   90.111   -0.3656    89.539   18.244  8.4725  19.309  8.7719  -1.065437      12.19546 
1 1 1 -21 12  41 o 17.464  8.1119  -26.9980   82.670   -30.9192   88.470   0.0005     232.145  17.834  8.3196  25.520  12.334  -7.686554      14.87786 
1 1 1 -21 12  42 o 36.883  10.579  238.587    99.597   219.137    108.425  343.651    251.995  34.312  11.267  33.962  15.129  0.3506699      18.86334 
1 1 1 -21 12  43 o 25.416  8.8414  100.813    66.805   40.413     90.969   171.515    98.423   21.492  9.3471  30.959  10.734  -9.466290      14.23315 
1 1 1 -21 12  44 o 47.253  6.7572  315.992    75.269   312.315    104.000  320.038    109.074  43.308  10.085  43.326  10.488  -0.1829910E-01 14.55018 
1 1 1 -21 12  45 o 34.154  11.253  218.623    108.119  37.510     276.065  251.436    117.506  26.825  13.077  36.088  11.723  -9.262819      17.56288 
1 1 1 -21 12  46 o 34.094  11.207  221.432    107.263  263.486    258.836  212.713    117.860  30.704  14.293  32.592  11.707  -1.887516      18.47493 
1 1 1 -21 12  47 o 16.032  7.6808  -63.1430   85.441   -74.5156   217.560  -61.0691   92.906   22.821  11.225  16.781  8.0316  6.039848       13.80233 
1 1 1 -21 13  1  o 43.413  8.5067  249.004    86.404   269.254    93.338   127.710    228.438  45.047  8.8550  37.339  15.452  7.708130       17.80950 
1 1 1 -21 13  2  o 66.387  7.3081  563.111    115.771  563.111    115.771  0.0000     0.0000   66.387  7.3081  ?       ?       0.000000       7.308067 
1 1 1 -21 13  3  o 62.321  7.6812  499.346    113.694  499.346    113.694  0.0000     0.0000   62.321  7.6812  ?       ?       0.000000       7.681229 
1 1 1 -21 13  4  o 80.787  6.3097  821.034    122.702  719.859    136.666  1241.62    278.645  75.006  7.6149  95.102  12.368  -20.09559      14.52429 
1 1 1 -21 13  5  o 61.471  6.5926  478.942    96.796   456.673    115.715  530.838    176.646  59.300  8.2669  61.827  12.208  -2.526630      14.74389 
1 1 1 -21 13  6  o 59.864  5.4267  448.318    77.968   485.772    108.764  408.726    111.826  61.554  7.4327  55.931  8.5082  5.622478       11.29753 
1 1 1 -21 13  7  o 18.843  7.9922  7.2330     63.448   59.989     149.529  -4.3516    70.069   29.996  12.465  18.917  8.2151  11.07915       14.92833 
1 1 1 -21 13  8  o 33.588  8.7330  150.697    71.836   73.225     173.108  166.813    78.955   32.088  13.379  35.238  9.1524  -3.149529      16.21013 
1 1 1 -21 13  9  o 41.141  8.6805  225.372    83.929   346.219    183.562  193.430    94.372   48.478  14.489  37.668  10.113  10.80972       17.66918 
1 1 1 -21 13  10 o 48.535  8.3081  309.748    94.323   471.565    224.544  275.077    103.938  55.461  15.878  45.047  9.7889  10.41359       18.65290 
1 1 1 -21 13  11 o 67.471  4.7028  565.765    76.509   606.457    116.709  535.100    101.315  68.859  7.0864  64.901  6.5220  3.957909       9.630868 
1 1 1 -21 13  12 o 45.695  5.7807  264.875    62.660   260.793    99.400   267.566    80.717   43.801  9.6163  45.237  7.6248  -1.436375      12.27238 
1 1 1 -21 13  13 o 58.730  5.4750  433.955    77.121   425.852    135.400  437.846    93.829   55.750  10.392  58.472  6.7365  -2.721886      12.38419 
1 1 1 -21 13  14 o 39.592  9.0522  212.879    85.068   0.0000     0.0000   212.879    85.068   ?       ?       39.592  9.0522  0.000000       9.052206 
1 1 1 -21 13  15 o 31.963  9.1963  138.915    75.157   0.0000     0.0000   138.915    75.157   ?       ?       31.963  9.1963  0.000000       9.196349 
1 1 1 -21 13  16 o 66.857  4.9257  559.647    79.342   608.050    117.776  519.427    107.360  68.545  7.1883  63.351  7.1068  5.194027       10.10837 
1 1 1 -21 13  17 o 95.511  4.3225  1130.89    100.174  1042.27    137.574  1230.91    146.150  90.419  6.3102  98.408  6.1516  -7.989220      8.812531 
1 1 1 -21 13  18 o 115.964 4.3024  1668.57    121.059  1546.72    167.818  1800.77    174.802  110.098 6.3082  119.032 6.0725  -8.933945      8.756060 
1 1 1 -21 13  19 o 92.225  4.3286  1056.88    96.864   921.881    132.499  1211.85    141.963  84.682  6.4980  97.519  6.0291  -12.83700      8.864215 
1 1 1 -21 13  20 o 67.357  4.5269  568.057    73.556   518.355    100.770  624.742    107.616  63.196  6.6725  69.576  6.4479  -6.379707      9.278902 
1 1 1 -21 13  21 o 53.878  4.7753  366.155    61.781   298.556    85.505   439.993    89.364   47.174  7.7385  58.240  6.4311  -11.06637      10.06196 
1 1 1 -21 13  22 o 84.956  5.2394  914.443    107.477  887.487    124.759  992.031    211.656  82.959  6.2437  83.234  10.730  -0.2746735     12.41437 
1 1 1 -21 13  23 o 28.615  8.2750  113.116    60.713   140.369    70.165   31.912     121.116  31.607  8.8160  25.201  10.872  6.405710       13.99753 
1 1 1 -21 13  24 o 47.937  6.7953  303.928    76.825   294.239    90.251   329.420    146.396  46.222  8.3547  45.525  12.747  0.6964645      15.24106 
1 1 1 -21 13  25 o 40.065  7.5587  218.311    70.787   276.649    82.519   55.783     137.735  45.050  7.8335  27.261  11.675  17.78903       14.05934 
1 1 1 -21 13  26 o 34.064  7.5255  159.182    60.542   88.359     82.027   243.932    89.730   26.289  9.7167  41.356  9.1814  -15.06713      13.36835 
1 1 1 -21 13  27 o 12.113  5.8445  -72.4647   51.580   -37.7368   70.805   -111.7354  75.293   16.569  7.6292  14.227  6.9118  2.342058       10.29459 
1 1 1 -21 13  28 o 47.827  6.1530  300.245    69.749   324.670    101.976  278.774    95.611   47.747  9.1349  44.086  9.2340  3.661224       12.98897 
1 1 1 -21 13  29 o 38.501  9.2346  215.282    85.160   364.987    189.071  177.182    95.383   44.564  14.889  34.212  10.492  10.35175       18.21456 
1 1 1 -21 13  30 o 38.211  10.241  221.478    96.878   330.041    191.514  184.145    112.307  41.872  14.935  34.216  11.475  7.655521       18.83430 
1 1 1 -21 13  31 o 16.300  7.6777  -61.4623   78.485   -193.8120  156.590  -17.0597   90.700   19.986  9.7665  19.620  8.8794  0.3665237      13.19958 
1 1 1 -21 13  32 o 29.123  8.4991  123.399    63.785   113.049    87.592   135.084    93.069   27.899  10.083  29.839  10.433  -1.940067      14.50878 
1 1 1 -21 13  33 o 28.288  8.5586  117.559    63.762   72.936     87.394   168.346    93.235   24.474  9.7656  32.590  10.428  -8.116066      14.28693 
1 1 1 -21 13  34 o 25.323  8.6717  92.498     64.151   174.083    92.788   17.791     88.791   32.870  10.391  20.852  9.1474  12.01832       13.84386 
1 1 1 -21 13  35 o 39.198  7.8287  222.057    71.852   225.869    96.246   217.257    107.994  37.299  10.297  35.626  11.204  1.672184       15.21674 
1 1 1 -21 13  36 o 25.694  8.7625  98.978     65.498   127.270    87.592   63.094     98.648   28.216  10.097  23.740  10.012  4.476128       14.21877 
1 1 1 -21 13  37 o 11.318  5.5916  -107.0180  56.058   -127.3835  75.339   -81.7574   83.906   13.313  6.5593  15.678  7.5373  -2.364962      9.991776 
1 1 1 -21 13  38 o 22.096  8.4826  66.323     63.853   34.340     91.507   96.675     89.143   21.308  9.3184  25.258  9.9306  -3.949514      13.61795 
1 1 1 -21 13  39 o 16.358  7.3520  -4.7546    60.941   -12.5990   82.169   4.8347     90.850   18.086  8.2872  19.632  8.8856  -1.545649      12.15037 
1 1 1 -21 13  40 o 25.204  10.022  98.745     91.749   125.028    96.681   -139.3611  290.993  27.153  10.435  24.741  12.311  2.412073       16.13819 
1 1 1 -21 13  41 o 38.588  10.657  262.069    103.074  273.806    110.768  186.279    281.480  38.755  11.168  29.545  14.096  9.210245       17.98428 
1 1 1 -21 13  42 f 20.462  8.2047  50.616     62.012   88.084     85.977   9.9876     89.528   24.334  9.6935  19.731  8.8856  4.602901       13.14985 
1 1 1 -21 13  43 o 24.891  8.7723  96.064     65.881   114.702    88.367   72.741     98.852   26.437  10.019  23.685  10.007  2.752050       14.16093 
1 1 1 -21 13  44 o 18.323  8.4825  -19.2582   89.280   -46.6416   222.296  -13.9917   97.488   24.191  11.780  19.198  8.8792  4.993010       14.75185 
1 1 1 -21 13  45 o 28.045  10.652  141.912    100.017  161.716    224.397  137.002    111.729  28.364  13.238  27.503  11.018  0.8614120      17.22365 
1 1 1 -21 13  46 o 17.153  8.0096  -26.1510   82.299   134.650    224.429  -51.1341   88.462   27.055  12.815  16.740  7.9631  10.31508       15.08777 
1 1 1 -21 14  1  o 96.983  6.4560  1186.61    151.054  1186.61    151.054  0.0000     0.0000   96.983  6.4560  ?       ?       0.000000       6.455995 
1 1 1 -21 14  2  o 91.241  6.7969  1054.78    149.396  1054.78    149.396  0.0000     0.0000   91.241  6.7969  ?       ?       0.000000       6.796874 
1 1 1 -21 14  3  o 112.784 5.6158  1584.47    153.682  1611.24    175.121  1494.77    320.547  113.129 6.4060  103.298 13.082  9.831406       14.56639 
1 1 1 -21 14  4  o 106.398 6.5320  1427.83    167.820  1427.83    167.820  0.0000     0.0000   106.398 6.5320  ?       ?       0.000000       6.532047 
1 1 1 -21 14  5  f 86.444  6.1308  939.845    127.758  1152.46    229.620  844.513    153.754  92.884  10.365  80.965  7.9282  11.91880       13.04960 
1 1 1 -21 14  6  o 92.976  6.1251  1086.90    137.407  1202.76    243.005  1032.45    166.598  94.508  10.790  89.686  7.7312  4.822380       13.27421 
1 1 1 -21 14  7  o 79.403  6.2979  795.893    120.344  847.910    223.166  774.564    142.902  78.113  12.171  77.596  7.6912  0.5168457      14.39757 
1 1 1 -21 14  8  o 67.854  6.6665  585.618    108.342  768.524    210.263  519.502    126.416  74.296  12.079  62.986  8.4878  11.31003       14.76259 
1 1 1 -21 14  9  o 107.214 4.3277  1418.52    112.582  1554.08    163.981  1297.65    154.842  111.146 6.1038  101.403 6.3248  9.743492       8.789753 
1 1 1 -21 14  10 o 122.780 4.4144  1862.55    131.510  1984.68    189.597  1749.30    182.570  125.628 6.2198  117.656 6.4194  7.972244       8.938423 
1 1 1 -21 14  11 o 80.744  4.5403  809.274    88.592   875.353    133.410  757.149    118.489  82.915  6.6881  77.246  6.3788  5.668800       9.242274 
1 1 1 -21 14  12 o 28.292  7.9348  106.460    56.677   231.795    91.345   28.004     72.271   41.215  9.3489  21.306  8.7408  19.90913       12.79859 
1 1 1 -21 14  13 o 30.029  8.9828  121.234    70.532   0.0000     0.0000   121.234    70.532   ?       ?       30.029  8.9828  0.000000       8.982796 
1 1 1 -21 14  14 o 25.789  8.8584  83.347     66.959   0.0000     0.0000   83.347     66.959   ?       ?       25.789  8.8584  0.000000       8.858415 
1 1 1 -21 14  15 o 129.574 5.5767  2110.09    175.332  2254.94    361.297  2065.47    200.527  126.022 11.959  127.252 6.5163  -1.230431      13.61893 
1 1 1 -21 14  16 o 75.095  4.8979  706.705    88.757   823.068    131.219  608.567    120.506  79.898  6.8344  68.287  7.3908  11.61091       10.06644 
1 1 1 -21 14  17 o 52.115  5.0164  342.821    62.650   367.777    84.834   312.883    92.918   53.209  6.7207  48.243  8.2333  4.966396       10.62800 
1 1 1 -21 14  18 o 25.461  7.5310  86.490     49.784   133.289    64.623   18.170     78.081   31.165  8.3691  20.956  8.8761  10.20862       12.19947 
1 1 1 -21 14  19 o 72.853  4.4573  664.011    78.414   600.065    106.196  740.675    116.277  68.092  6.5068  75.789  6.3824  -7.697090      9.114512 
1 1 1 -21 14  20 o 67.947  4.5592  579.435    74.731   523.188    100.927  647.701    111.187  63.367  6.6640  70.634  6.5625  -7.266621      9.352842 
1 1 1 -21 14  21 o 44.072  6.9099  257.380    71.462   255.477    80.048   264.852    158.606  43.371  7.8976  40.557  13.636  2.814171       15.75832 
1 1 1 -21 14  22 o 18.683  7.7141  21.641     56.746   63.170     64.648   -117.7721  118.447  23.191  8.6153  19.062  9.1083  4.128864       12.53730 
1 1 1 -21 14  23 o 37.962  8.0711  199.076    72.055   221.780    83.590   133.416    142.149  39.633  8.9090  31.665  12.511  7.967873       15.35907 
1 1 1 -21 14  24 o 63.886  6.2637  531.865    95.848   438.122    113.656  762.699    178.349  56.286  8.5945  72.574  10.428  -16.28846      13.51294 
1 1 1 -21 14  25 o 60.290  5.0995  463.604    73.900   515.081    102.958  408.899    106.136  62.340  6.9235  54.513  8.2849  7.827068       10.79699 
1 1 1 -21 14  26 o 47.815  5.9185  298.148    67.199   326.649    91.436   264.673    99.092   48.761  8.0063  42.571  9.7965  6.189159       12.65194 
1 1 1 -21 14  27 o 28.449  8.0690  113.479    58.269   99.612     81.224   128.182    83.639   27.095  9.7197  29.803  9.9008  -2.708061      13.87444 
1 1 1 -21 14  28 o 60.782  5.2220  474.461    76.267   518.999    106.205  427.037    109.592  62.127  7.1774  55.311  8.4326  6.816395       11.07354 
1 1 1 -21 14  29 f 23.540  9.3464  60.630     79.687   36.407     163.467  68.180     91.265   27.100  12.120  24.788  9.9484  2.312069       15.68028 
1 1 1 -21 14  30 o 22.660  9.4596  43.355     86.687   49.381     177.528  41.468     99.334   27.958  12.558  23.434  9.9720  4.524294       16.03601 
1 1 1 -21 14  31 o 24.873  8.4903  86.206     61.493   134.387    84.270   31.331     89.933   29.811  9.9398  22.007  9.4295  7.803576       13.70092 
1 1 1 -21 14  32 o 42.733  6.9817  251.612    69.892   250.949    101.129  252.218    96.703   39.878  10.358  40.382  9.9370  -0.5034332     14.35409 
1 1 1 -21 14  33 o 35.417  8.0837  182.807    67.938   169.135    95.308   196.931    96.869   32.269  10.562  34.766  10.556  -2.497032      14.93246 
1 1 1 -21 14  34 o 28.941  8.5822  126.492    64.589   153.470    88.239   95.354     94.800   30.809  10.166  25.932  10.226  4.876276       14.41991 
1 1 1 -21 14  35 o 12.528  6.0867  -82.1299   58.429   -131.2579  78.650   -21.6211   87.285   13.659  6.7242  18.453  8.4870  -4.794620      10.82795 
1 1 1 -21 14  36 f 16.436  7.3952  -7.3745    61.859   -9.7111    83.540   -4.5383    92.038   18.536  8.4408  19.509  8.8746  -0.9731121     12.24767 
1 1 1 -21 14  37 o 14.807  6.8717  -29.2018   59.115   -43.5063   80.369   -12.3406   87.256   16.612  7.8073  18.614  8.5331  -2.002409      11.56579 
1 1 1 -21 14  38 o 22.568  8.6462  72.022     66.254   8.9584     88.848   151.017    99.439   19.653  8.8508  29.165  10.712  -9.512194      13.89549 
1 1 1 -21 14  39 o 23.433  9.7400  73.992     91.337   74.089     97.229   73.264     266.423  23.630  9.9510  27.257  13.184  -3.626965      16.51767 
1 1 1 -21 14  40 o 30.165  10.722  165.112    98.620   151.257    105.567  260.107    276.418  28.834  10.946  30.903  14.510  -2.068712      18.17518 
1 1 1 -21 14  41 o 21.081  8.5220  55.108     67.495   -58.4252   94.513   173.270    96.421   17.275  8.2217  30.995  10.631  -13.72003      13.43930 
1 1 1 -21 14  42 o 18.589  7.9437  25.851     63.518   -8.1171    85.410   67.886     95.012   18.511  8.4698  23.198  9.8066  -4.687391      12.95784 
1 1 1 -21 14  43 o 19.827  8.7554  22.772     82.597   -442.5706  220.359  98.838     89.092   18.813  9.5291  25.071  9.9051  -6.257084      13.74463 
1 1 1 -21 14  44 o 26.206  10.339  116.664    96.937   160.884    217.702  105.728    108.261  28.291  13.149  25.531  10.607  2.760181       16.89399 
1 1 1 -21 14  45 o 22.873  9.5911  73.341     89.699   -230.9753  235.393  125.036    97.019   21.253  10.651  26.470  10.375  -5.216537      14.86848 
1 1 1 -21 15  1  o 32.953  10.154  146.457    89.218   146.457    89.218   0.0000     0.0000   32.953  10.154  ?       ?       0.000000       10.15425 
1 1 1 -21 15  2  o 43.214  9.7389  254.455    99.672   254.455    99.672   0.0000     0.0000   43.214  9.7389  ?       ?       0.000000       9.738851 
1 1 1 -21 15  3  o 23.513  10.815  -71.8665   141.797  -71.8665   141.797  0.0000     0.0000   23.513  10.815  ?       ?       0.000000       10.81535 
1 1 1 -21 15  4  o 40.335  8.3558  216.610    79.089   301.315    170.626  193.431    89.256   45.222  14.060  37.634  9.7099  7.587849       17.08733 
1 1 1 -21 15  5  o 18.801  7.9515  9.3005     62.511   59.895     146.852  -1.8961    69.083   29.534  12.319  18.870  8.1760  10.66339       14.78546 
1 1 1 -21 15  6  o 39.043  8.6138  204.447    79.413   195.130    175.036  206.861    89.112   38.261  14.184  38.955  9.5106  -0.6940651     17.07705 
1 1 1 -21 15  7  o 55.711  7.1371  400.224    94.260   530.099    185.575  355.066    109.427  60.569  13.015  51.510  9.0874  9.058933       15.87358 
1 1 1 -21 15  8  o 56.008  5.4844  395.126    73.575   397.724    119.144  393.524    93.541   54.388  9.3663  55.202  7.1519  -0.8137703     11.78458 
1 1 1 -21 15  9  o 74.370  4.5275  687.174    81.310   854.049    121.641  552.386    109.323  82.155  6.1467  65.579  6.9776  16.57646       9.298854 
1 1 1 -21 15  10 o 34.609  6.9392  157.278    56.244   150.071    89.262   162.023    72.432   33.132  10.148  34.586  8.6526  -1.454697      13.33604 
1 1 1 -21 15  11 o 57.773  5.0135  418.672    69.583   428.198    105.382  411.308    92.652   57.156  7.8026  56.448  6.9087  0.7076645      10.42166 
1 1 1 -21 15  12 o 22.945  8.4757  58.360     62.393   0.0000     0.0000   58.360     62.393   ?       ?       22.945  8.4757  0.000000       8.475655 
1 1 1 -21 15  13 o 33.391  8.6174  152.144    70.288   0.0000     0.0000   152.144    70.288   ?       ?       33.391  8.6174  0.000000       8.617359 
1 1 1 -21 15  14 o 102.559 6.1802  1338.94    153.075  0.0000     0.0000   1338.94    153.075  ?       ?       102.559 6.1802  0.000000       6.180210 
1 1 1 -21 15  15 o 63.696  5.1085  511.294    78.290   576.840    121.137  464.279    102.595  66.195  7.6850  59.576  7.2466  6.619404       10.56281 
1 1 1 -21 15  16 o 45.617  5.5425  265.981    60.087   223.542    81.558   316.365    88.863   40.390  8.5864  48.700  7.7822  -8.309753      11.58826 
1 1 1 -21 15  17 o 53.838  5.0369  366.731    65.034   277.287    88.500   471.730    95.887   45.128  8.3911  60.239  6.6723  -15.11063      10.72052 
1 1 1 -21 15  18 o 49.963  5.2410  317.805    62.591   260.468    82.168   397.066    96.610   43.832  8.0215  54.672  7.4789  -10.83944      10.96709 
1 1 1 -21 15  19 o 54.208  5.0217  372.754    65.301   363.386    88.070   384.194    97.320   52.412  7.1086  53.535  7.7147  -1.123444      10.49041 
1 1 1 -21 15  20 o 18.929  7.9245  18.299     61.079   10.786     64.896   76.586     180.760  18.818  8.0352  30.533  13.227  -11.71539      15.47658 
1 1 1 -21 15  21 o 32.431  8.7834  148.550    70.823   124.784    76.024   304.639    194.832  29.750  9.4059  41.893  15.051  -12.14299      17.74831 
1 1 1 -21 15  22 o 20.980  8.2355  43.227     61.218   33.277     68.128   84.945     139.504  20.777  8.5009  28.789  12.008  -8.011690      14.71217 
1 1 1 -21 15  23 o 63.559  5.0090  513.964    76.622   450.991    113.869  566.071    103.580  57.160  8.4662  65.642  6.5923  -8.482536      10.73013 
1 1 1 -21 15  24 o 59.505  5.1160  452.186    73.149   441.387    104.054  462.737    102.852  57.050  7.7148  58.677  7.3878  -1.626961      10.68168 
1 1 1 -21 15  25 o 56.934  5.1762  415.162    70.725   413.339    100.858  416.925    99.203   55.085  7.7611  55.470  7.5681  -0.3849335     10.84024 
1 1 1 -21 15  26 o 9.5280  4.7809  -133.5312  48.178   -160.2186  67.954   -106.5605  68.314   11.840  5.9007  13.398  6.5259  -1.558572      8.798056 
1 1 1 -21 15  27 o 54.076  5.6923  380.421    73.568   364.830    104.635  395.662    103.457  50.697  8.8268  53.291  8.2689  -2.594139      12.09490 
1 1 1 -21 15  28 o 23.444  9.4177  58.010     81.866   30.588     173.272  65.891     92.888   27.287  12.318  24.676  9.9896  2.610884       15.85958 
1 1 1 -21 15  29 o 48.169  8.8350  334.265    99.455   321.220    196.839  338.737    115.248  40.391  15.028  47.109  10.364  -6.718010      18.25488 
1 1 1 -21 15  30 f 30.562  8.6720  137.460    67.290   245.713    95.165   29.223     95.158   40.114  9.8496  22.245  9.6169  17.86899       13.76584 
1 1 1 -21 15  31 o 24.414  8.5247  83.338     62.132   167.665    90.438   7.9587     85.505   32.543  10.256  20.127  8.8969  12.41612       13.57699 
1 1 1 -21 15  32 o 28.807  8.6240  124.271    64.992   94.021     95.152   150.725    88.982   26.032  10.252  30.737  10.212  -4.705011      14.47035 
1 1 1 -21 15  33 o 29.526  8.4239  131.212    63.316   191.478    90.587   73.650     88.532   34.293  10.162  24.128  9.7578  10.16557       14.08856 
1 1 1 -21 15  34 o 38.126  7.7089  211.653    68.864   252.483    95.201   166.843    99.733   39.554  9.9332  31.242  10.807  8.311899       14.67823 
1 1 1 -21 15  35 o 26.109  8.5757  104.430    62.814   109.636    89.774   99.437     87.919   26.417  10.078  25.600  9.9195  0.8169861      14.14071 
1 1 1 -21 15  36 o 26.886  8.6072  113.036    63.510   86.098     88.736   141.328    90.937   24.396  9.8031  28.768  10.288  -4.371759      14.21088 
1 1 1 -21 15  37 o 12.474  6.0382  -71.0534   56.152   -75.0417   79.177   -67.0177   79.647   15.215  7.3164  15.546  7.4395  -0.3316460     10.43439 
1 1 1 -21 15  38 o 19.228  8.7086  4.6595     87.435   2.7531     92.624   20.259     264.954  19.526  8.8901  26.202  12.782  -6.676361      15.56963 
1 1 1 -21 15  39 o 42.727  10.648  319.777    109.996  275.609    118.826  584.247    290.769  37.718  11.735  38.876  16.809  -1.157669      20.49963 
1 1 1 -21 15  40 o 21.138  8.3958  58.160     64.324   100.861    86.943   6.5241     95.608   25.161  9.8322  19.889  9.0464  5.271761       13.36074 
1 1 1 -21 15  41 o 26.684  9.0730  115.391    70.221   150.681    96.613   75.870     102.241  29.035  10.575  23.841  10.130  5.193697       14.64410 
1 1 1 -21 15  42 o 19.128  8.6047  8.8712     83.693   153.893    201.053  -21.5262   92.048   28.323  12.972  18.401  8.5515  9.921524       15.53733 
1 1 1 -21 15  43 o 25.238  10.219  103.368    97.236   -22.3894   218.203  134.528    108.617  24.138  11.736  27.297  10.888  -3.158587      16.00899 
1 1 1 -21 15  44 o 20.018  9.0121  20.789     92.020   46.565     228.808  15.816     100.507  25.229  12.206  20.295  9.2483  4.933027       15.31423 
1 1 1 -21 15  45 o 29.542  10.847  174.844    101.945  48.448     231.716  205.182    113.521  24.658  12.012  31.094  11.442  -6.435905      16.58933 
1 1 1 -21 16  1  o 53.958  13.704  433.516    179.764  433.516    179.764  0.0000     0.0000   53.958  13.704  ?       ?       0.000000       13.70424 
1 1 1 -21 16  2  o 49.192  8.4195  321.156    96.882   246.193    165.806  360.018    119.382  41.158  13.942  51.340  9.9426  -10.18155      17.12413 
1 1 1 -21 16  3  o 42.075  7.9696  234.550    78.385   468.127    172.268  173.564    88.025   56.806  12.804  35.533  9.8615  21.27300       16.16175 
1 1 1 -21 16  4  o 35.987  8.6094  174.832    74.168   119.446    159.426  190.130    83.787   33.194  13.207  37.317  9.2898  -4.122833      16.14708 
1 1 1 -21 16  5  o 28.165  9.0104  103.895    69.607   -35.0907   164.149  134.366    76.860   26.531  11.982  31.530  9.3647  -4.999348      15.20724 
1 1 1 -21 16  6  o 17.912  7.3341  18.069     50.758   -86.3218   94.400   60.523     60.200   17.903  8.4288  23.068  8.3556  -5.165586      11.86848 
1 1 1 -21 16  7  o 43.326  6.5146  242.327    66.366   359.814    109.542  174.194    83.418   51.709  9.0610  35.607  9.4850  16.10135       13.11741 
1 1 1 -21 16  8  o 25.456  8.2820  83.228     58.636   206.798    100.697  19.831     72.126   38.391  10.505  20.638  8.6232  17.75208       13.59098 
1 1 1 -21 16  9  o 47.886  6.0188  293.199    68.388   293.994    110.923  292.712    86.860   45.930  10.217  47.023  7.8925  -1.092434      12.91034 
1 1 1 -21 16  10 o 69.051  4.6908  595.403    78.126   680.688    117.738  528.308    104.429  72.788  6.7430  64.014  6.8287  8.773575       9.596847 
1 1 1 -21 16  11 o 20.894  8.4120  33.373     65.476   0.0000     0.0000   33.373     65.476   ?       ?       20.894  8.4120  0.000000       8.412042 
1 1 1 -21 16  12 f 25.513  8.7886  82.194     65.930   0.0000     0.0000   82.194     65.930   ?       ?       25.513  8.7886  0.000000       8.788551 
1 1 1 -21 16  13 o 75.162  6.3231  724.233    114.245  0.0000     0.0000   724.233    114.245  ?       ?       75.162  6.3231  0.000000       6.323139 
1 1 1 -21 16  14 o 101.434 4.4917  1281.38    110.551  1520.30    164.324  1083.83    149.421  109.037 6.2369  91.590  6.7716  17.44627       9.206148 
1 1 1 -21 16  15 o 20.767  7.3089  51.523     45.718   -9.7040    63.626   116.881    65.737   17.383  7.6798  29.193  8.6583  -11.81062      11.57348 
1 1 1 -21 16  16 o 50.051  5.0397  317.732    60.371   258.357    84.715   379.002    86.056   43.491  8.3311  53.841  6.7346  -10.34954      10.71268 
1 1 1 -21 16  17 o 72.244  4.5761  655.290    79.802   528.756    109.087  800.963    117.047  63.285  7.2341  78.851  6.1668  -15.56591      9.505889 
1 1 1 -21 16  18 o 59.359  4.9498  446.380    70.641   409.113    95.181   492.080    105.402  55.511  7.2389  60.916  7.2751  -5.404667      10.26294 
1 1 1 -21 16  19 o 50.572  7.2895  341.697    86.864   374.584    95.724   188.307    206.732  52.709  7.7128  35.936  14.768  16.77279       16.66060 
1 1 1 -21 16  20 o 44.224  7.8249  266.813    80.893   290.096    88.378   146.561    200.847  45.890  8.2400  33.800  14.272  12.08923       16.47957 
1 1 1 -21 16  21 o 25.614  8.7901  87.630     65.922   62.439     70.176   276.743    192.274  23.364  8.9109  39.925  14.853  -16.56114      17.32072 
1 1 1 -21 16  22 o 53.398  5.3016  365.996    67.782   301.964    90.211   449.014    102.718  46.696  8.2643  57.701  7.5150  -11.00488      11.17018 
1 1 1 -21 16  23 o 59.532  5.1961  453.729    74.306   370.769    103.906  540.566    106.305  51.516  8.6168  63.729  6.9894  -12.21260      11.09505 
1 1 1 -21 16  24 o 54.119  5.5049  378.370    71.281   405.622    99.790   349.978    101.856  54.504  7.7651  49.857  8.7382  4.647293       11.68991 
1 1 1 -21 16  25 o 20.243  7.9447  41.026     56.960   84.911     82.622   1.2775     78.633   25.767  9.7065  19.500  8.5799  6.267384       12.95496 
1 1 1 -21 16  26 o 18.932  7.6326  30.459     53.987   -56.4345   75.919   119.346    76.786   16.247  7.6205  28.740  9.4836  -12.49394      12.16595 
1 1 1 -21 16  27 o 37.456  9.9111  212.141    91.475   356.260    193.698  170.772    103.777  42.877  15.047  33.060  11.031  9.817410       18.65730 
1 1 1 -21 16  28 o 52.641  8.5369  394.965    105.307  379.026    214.482  400.028    120.880  42.603  15.719  51.587  10.018  -8.984653      18.64008 
1 1 1 -21 16  29 o 31.954  8.1862  148.111    63.755   158.062    91.264   138.625    89.100   31.791  10.332  30.039  10.220  1.751801       14.53267 
1 1 1 -21 16  30 o 22.354  8.2028  65.292     58.290   22.023     88.006   99.111     77.803   21.088  9.1823  26.206  9.4980  -5.118544      13.21087 
1 1 1 -21 16  31 o 17.667  7.5313  15.940     56.843   18.712     83.511   13.547     77.592   20.391  8.9099  19.575  8.5701  0.8153896      12.36259 
1 1 1 -21 16  32 o 65.978  5.2991  572.673    84.118   602.170    119.131  543.344    118.792  64.992  7.7045  61.114  8.2193  3.877834       11.26571 
1 1 1 -21 16  33 o 44.760  6.8567  280.832    72.096   270.668    100.449  291.632    103.540  40.646  10.201  42.257  10.212  -1.611206      14.43410 
1 1 1 -21 16  34 o 55.868  5.9296  424.033    79.153   412.841    111.578  435.370    112.303  51.461  9.2772  53.178  9.0262  -1.717175      12.94367 
1 1 1 -21 16  35 o 17.116  7.5404  7.1842     60.910   -0.5475    87.456   14.467     84.880   19.122  8.6801  19.680  8.7726  -0.5576897     12.34110 
1 1 1 -21 16  36 o 29.111  8.7278  135.763    66.529   44.855     94.634   224.600    93.549   21.808  9.5081  36.008  10.228  -14.20020      13.96471 
1 1 1 -21 16  37 o 20.300  8.9845  26.466     87.460   58.006     92.599   -234.2332  266.226  22.362  9.5746  22.671  11.356  -0.3092403     14.85403 
1 1 1 -21 16  38 o 24.062  9.8718  85.837     92.189   111.108    96.841   -158.3797  301.048  25.853  10.291  24.329  12.170  1.523499       15.93823 
1 1 1 -21 16  39 o 22.585  8.6633  74.199     66.567   159.842    89.781   -30.3629   99.202   29.964  10.259  18.579  8.7134  11.38465       13.45980 
1 1 1 -21 16  40 o 28.609  8.8509  132.871    67.707   187.955    93.301   71.592     98.408   32.370  10.440  23.387  9.9382  8.982216       14.41376 
1 1 1 -21 16  41 o 30.558  8.9735  152.792    70.909   69.103     95.732   254.523    105.547  23.115  9.8115  37.251  10.951  -14.13568      14.70312 
1 1 1 -21 16  42 o 29.088  10.840  158.494    102.510  54.021     237.473  182.419    113.643  25.890  12.503  30.401  11.397  -4.511528      16.91839 
1 1 1 -21 16  43 o 20.613  9.0571  37.876     87.357   122.213    226.550  23.147     94.679   26.691  12.710  20.267  9.1312  6.424597       15.65017 
1 1 1 -21 16  44 o 20.324  9.0902  32.878     91.957   432.839    216.879  -54.7853   101.536  35.501  14.901  17.476  8.3727  18.02462       17.09240 
1 1 1 -21 17  1  o 36.683  9.9406  186.984    90.683   137.379    161.661  209.759    109.540  34.037  13.376  38.447  11.114  -4.410660      17.39084 
1 1 1 -21 17  2  o 79.946  6.6966  817.816    128.706  685.347    216.644  890.072    160.003  67.972  13.610  82.463  8.1012  -14.49036      15.83889 
1 1 1 -21 17  3  o 29.091  8.6208  113.481    65.189   32.648     161.198  129.286    71.278   28.835  12.491  30.889  8.9758  -2.053999      15.38176 
1 1 1 -21 17  4  o 30.191  9.1053  123.019    72.252   208.145    167.049  103.429    80.135   38.338  13.914  28.347  9.6921  9.991356       16.95676 
1 1 1 -21 17  5  o 50.591  5.6747  325.120    68.460   373.791    109.122  293.530    87.913   52.736  8.8407  47.035  7.9889  5.701580       11.91557 
1 1 1 -21 17  6  o 17.243  7.3028  7.4814     52.849   -10.4681   95.732   15.350     63.382   21.327  9.4214  19.246  8.0658  2.080946       12.40245 
1 1 1 -21 17  7  o 23.382  8.1442  66.448     56.693   94.677     98.226   52.347     69.423   28.320  10.600  22.915  8.8325  5.404064       13.79758 
1 1 1 -21 17  8  o 42.311  6.3170  231.564    62.867   164.427    108.840  265.177    77.013   34.286  11.290  44.888  7.3234  -10.60196      13.45706 
1 1 1 -21 17  9  o 63.561  5.0888  508.367    77.824   525.199    122.392  496.943    100.833  62.882  8.2183  61.975  6.8181  0.9067497      10.67830 
1 1 1 -21 17  10 o 35.150  8.2009  168.045    68.665   260.892    134.977  135.628    79.756   41.773  12.411  31.359  9.5904  10.41397       15.68448 
1 1 1 -21 17  11 o 21.293  8.3271  42.415     62.398   0.0000     0.0000   42.415     62.398   ?       ?       21.293  8.3271  0.000000       8.327086 
1 1 1 -21 17  12 o 37.356  8.4058  191.227    74.349   0.0000     0.0000   191.227    74.349   ?       ?       37.356  8.4058  0.000000       8.405827 
1 1 1 -21 17  13 o 78.896  4.5851  779.454    87.396   866.486    129.723  707.121    118.263  81.878  6.5853  73.864  6.6705  8.013977       9.373474 
1 1 1 -21 17  14 o 13.771  6.3438  -31.8324   49.035   32.566     78.168   -73.6171   62.965   21.871  9.0438  13.965  6.6638  7.905876       11.23378 
1 1 1 -21 17  15 f 56.595  4.8084  404.521    65.404   370.222    89.815   443.242    95.431   52.877  7.1865  58.098  6.9048  -5.220901      9.966091 
1 1 1 -21 17  16 o 87.037  4.3849  948.545    92.307   992.013    130.260  904.699    130.825  87.711  6.1597  83.457  6.5120  4.253365       8.963685 
1 1 1 -21 17  17 o 73.912  4.5718  687.310    81.588   614.002    113.368  766.069    117.508  68.284  6.9388  76.797  6.3634  -8.512955      9.414919 
1 1 1 -21 17  18 o 67.515  6.6376  597.762    107.331  413.683    120.933  1280.78    232.947  53.943  9.5909  94.448  10.333  -40.50489      14.09839 
1 1 1 -21 17  19 o 39.020  8.8358  215.688    81.712   138.397    89.201   618.878    203.732  30.951  10.222  61.179  14.024  -30.22855      17.35406 
1 1 1 -21 17  20 o 33.549  8.8459  160.814    73.037   126.553    78.474   382.669    199.689  29.751  9.5722  45.751  15.301  -16.00035      18.04883 
1 1 1 -21 17  21 o 22.850  7.9148  67.337     53.508   -37.0783   69.697   217.215    83.503   16.429  7.5663  38.932  9.0169  -22.50314      11.77088 
1 1 1 -21 17  22 f 64.616  5.3034  535.750    82.417   463.964    115.190  611.043    117.970  57.775  8.4684  67.434  7.3279  -9.659061      11.19873 
1 1 1 -21 17  23 o 19.699  7.8988  34.467     57.476   60.858     90.328   16.513     74.505   24.348  9.8530  20.033  8.5830  4.315430       13.06716 
1 1 1 -21 17  24 o 17.826  7.3497  21.222     51.414   7.9136     74.043   33.613     71.448   19.384  8.4314  20.892  8.6433  -1.507669      12.07459 
1 1 1 -21 17  25 o 24.349  8.2184  80.622     57.611   128.760    85.395   40.409     78.049   29.580  10.006  21.880  9.0415  7.699938       13.48560 
1 1 1 -21 17  26 o 20.041  8.5482  21.063     73.302   192.985    175.125  -15.4555   80.713   34.012  13.735  18.648  8.4137  15.36401       16.10706 
1 1 1 -21 17  27 o 22.017  8.9776  47.255     75.661   56.717     180.753  45.245     83.310   28.055  12.631  22.421  9.3093  5.634012       15.69053 
1 1 1 -21 17  28 o 54.773  5.8265  396.609    76.246   425.203    108.623  368.837    107.051  54.373  8.5126  49.977  9.1655  4.395500       12.50885 
1 1 1 -21 17  29 o 25.973  8.2769  98.032     58.780   118.743    84.414   78.537     81.897   27.973  9.9221  24.501  9.5514  3.472065       13.77234 
1 1 1 -21 17  30 o 61.223  5.3825  493.141    79.146   530.563    110.805  454.160    113.090  61.251  7.6203  55.519  8.6791  5.731911       11.54971 
1 1 1 -21 17  31 o 60.294  5.6263  484.093    81.361   617.727    119.329  367.999    111.222  65.869  7.6061  48.416  9.8037  17.45217       12.40825 
1 1 1 -21 17  32 o 33.479  7.9994  167.321    64.095   278.012    94.904   74.494     86.910   41.881  9.5508  23.815  9.6552  18.06637       13.58086 
1 1 1 -21 17  33 o 41.462  7.1932  247.035    69.742   310.359    100.206  187.544    97.126   43.934  9.6628  32.703  10.660  11.23087       14.38768 
1 1 1 -21 17  34 o 11.223  5.5504  -106.3459  55.727   -69.9476   77.755   -144.7895  79.909   15.256  7.3138  13.294  6.5870  1.962503       9.842764 
1 1 1 -21 17  35 o 20.769  8.3724  53.441     64.950   -35.7112   95.320   130.708    88.739   18.119  8.5117  27.557  10.120  -9.437927      13.22334 
1 1 1 -21 17  36 o 23.522  9.6232  80.007     87.297   185.013    98.029   -322.3378  191.887  31.637  10.720  18.588  9.3545  13.04891       14.22779 
1 1 1 -21 17  37 o 30.798  10.725  176.397    98.322   145.306    106.726  350.822    252.789  28.050  10.912  32.938  14.873  -4.887939      18.44652 
1 1 1 -21 17  38 o 30.507  9.0306  153.716    71.563   164.770    98.155   141.172    104.560  29.833  10.687  27.806  10.805  2.027649       15.19748 
1 1 1 -21 17  39 o 14.869  6.9163  -28.3177   60.432   8.5637     86.006   -64.2823   84.931   19.214  8.6755  16.077  7.6904  3.136913       11.59336 
1 1 1 -21 17  40 o 36.704  8.4597  211.627    73.796   205.991    100.444  218.237    108.779  33.260  10.840  33.617  11.293  -0.3576660     15.65417 
1 1 1 -21 17  41 o 24.336  9.9763  92.235     94.058   410.214    257.072  43.087     101.066  34.195  15.253  21.725  9.6347  12.47012       18.04142 
1 1 1 -21 17  42 o 20.783  9.1223  40.577     88.415   -45.9012   253.298  52.575     94.349   24.024  11.872  21.721  9.4814  2.302820       15.19346 
1 1 1 -21 17  43 o 27.475  10.728  149.025    103.436  -23.8584   270.312  178.682    111.957  24.056  11.953  29.196  11.227  -5.139925      16.39873 
1 1 1 -21 18  1  o 40.573  9.8906  230.365    96.487   436.586    177.004  143.181    115.089  53.483  13.607  32.654  11.585  20.82953       17.87066 
1 1 1 -21 18  2  o 22.237  8.2473  54.329     59.194   -45.0052   154.805  71.340     64.062   25.144  11.465  24.319  8.6418  0.8245335      14.35739 
1 1 1 -21 18  3  o 29.157  7.4492  113.935    52.893   158.212    92.276   92.268     64.550   33.668  10.319  26.577  8.6917  7.090485       13.49170 
1 1 1 -21 18  4  o 43.208  5.8723  239.549    59.970   267.425    100.410  224.091    74.771   43.855  9.6939  40.953  7.8097  2.902660       12.44842 
1 1 1 -21 18  5  o 68.888  4.7387  593.962    78.726   629.047    122.370  569.185    102.832  69.441  7.3756  66.574  6.4466  2.866425       9.795850 
1 1 1 -21 18  6  o 108.856 4.5164  1473.79    119.291  1568.35    174.878  1391.51    163.139  110.650 6.5427  104.258 6.4810  6.391685       9.209226 
1 1 1 -21 18  7  o 69.285  4.9864  603.393    83.268   670.386    128.078  554.346    109.589  71.547  7.4886  65.292  7.0282  6.255135       10.27006 
1 1 1 -21 18  8  o 53.363  5.6260  362.985    71.747   332.081    114.632  382.888    91.995   48.597  10.053  54.028  7.1964  -5.431133      12.36340 
1 1 1 -21 18  9  o 71.240  4.8307  637.336    83.009   556.494    126.324  698.771    110.122  64.499  8.2617  73.814  6.2061  -9.315781      10.33300 
1 1 1 -21 18  10 o 125.496 6.4798  2024.35    196.639  0.0000     0.0000   2024.35    196.639  ?       ?       125.496 6.4798  0.000000       6.479795 
1 1 1 -21 18  11 o 104.335 6.3784  1400.45    160.699  0.0000     0.0000   1400.45    160.699  ?       ?       104.335 6.3784  0.000000       6.378361 
1 1 1 -21 18  12 o 36.005  8.9841  181.823    78.234   0.0000     0.0000   181.823    78.234   ?       ?       36.005  8.9841  0.000000       8.984088 
1 1 1 -21 18  13 o 19.996  7.6841  40.250     52.429   6.8587     85.191   60.607     66.517   20.834  9.0530  23.136  8.7105  -2.302282      12.56304 
1 1 1 -21 18  14 o 18.355  7.1723  30.869     46.262   73.509     64.625   -13.9462   66.253   24.242  8.6727  17.369  7.7460  6.872875       11.62825 
1 1 1 -21 18  15 o 24.423  7.2863  80.263     46.452   44.123     64.901   118.224    66.515   21.430  8.4581  29.096  8.7277  -7.665550      12.15372 
1 1 1 -21 18  16 o 25.585  7.1821  88.944     46.412   32.129     62.920   156.753    68.739   20.180  8.2031  33.395  8.4704  -13.21416      11.79144 
1 1 1 -21 18  17 o 68.307  6.1979  607.273    101.607  585.972    121.761  656.123    184.393  65.856  7.7694  65.420  12.061  0.4365845      14.34662 
1 1 1 -21 18  18 o 51.484  7.4340  357.859    90.177   268.177    101.129  705.941    199.233  42.774  9.9341  66.914  12.736  -24.14013      16.15233 
1 1 1 -21 18  19 o 28.360  9.1866  113.679    72.186   93.044     76.862   267.960    210.171  26.391  9.4564  38.829  15.254  -12.43813      17.94734 
1 1 1 -21 18  20 o 21.932  7.5548  61.745     48.718   50.281     61.260   81.468     80.356   21.511  8.2954  25.445  9.5750  -3.934801      12.66860 
1 1 1 -21 18  21 o 20.847  8.2318  43.151     61.502   84.701     93.080   10.955     81.936   26.234  10.195  20.420  8.8758  5.813557       13.51729 
1 1 1 -21 18  22 o 25.183  8.6625  86.055     64.040   78.063     93.358   93.158     88.011   25.685  10.142  26.617  10.020  -0.9322395     14.25693 
1 1 1 -21 18  23 o 37.515  7.6655  195.852    67.418   218.228    99.905   177.141    91.356   37.661  10.525  34.132  10.226  3.528740       14.67479 
1 1 1 -21 18  24 o 45.202  8.8327  294.098    93.403   215.395    194.499  317.689    106.485  35.251  14.386  46.198  9.8030  -10.94680      17.40877 
1 1 1 -21 18  25 o 35.658  9.6826  192.556    85.934   131.665    187.883  208.664    96.635   31.222  13.506  36.608  10.394  -5.385338      17.04222 
1 1 1 -21 18  26 o 33.133  10.209  171.311    90.186   7.7493     202.145  211.958    100.771  27.233  12.661  36.453  10.695  -9.220387      16.57409 
1 1 1 -21 18  27 o 32.023  7.8242  147.691    60.278   205.274    85.785   91.534     84.716   36.574  9.5599  25.757  9.7985  10.81655       13.68951 
1 1 1 -21 18  28 f 17.749  7.4007  21.891     52.971   -2.6163    77.127   43.772     72.878   18.639  8.3315  21.250  8.7546  -2.611633      12.08539 
1 1 1 -21 18  29 o 50.972  6.1293  351.210    74.287   369.479    104.881  332.817    105.235  49.512  9.0642  46.286  9.6814  3.225525       13.26232 
1 1 1 -21 18  30 o 28.424  8.1530  121.369    59.153   74.035     85.469   164.887    81.951   23.856  9.6087  31.954  9.7107  -8.098003      13.66111 
1 1 1 -21 18  31 o 39.914  7.4845  230.929    69.822   241.913    100.057  220.503    97.481   37.735  10.529  35.953  10.511  1.781860       14.87722 
1 1 1 -21 18  32 f 29.358  8.5550  134.882    64.670   135.577    93.491   134.245    89.551   28.252  10.385  28.225  10.196  0.2725601E-01  14.55373 
1 1 1 -21 18  33 o 40.467  7.6983  243.464    72.827   286.224    101.575  198.232    104.470  41.003  10.240  32.686  11.067  8.317112       15.07764 
1 1 1 -21 18  34 o 19.004  8.0029  33.510     62.888   15.750     94.241   47.767     84.439   20.169  9.0965  21.326  9.1373  -1.156818      12.89332 
1 1 1 -21 18  35 o 15.937  7.5841  -54.5973   80.390   -22.3384   88.005   -217.1744  197.565  17.917  8.3383  20.163  10.051  -2.245440      13.05939 
1 1 1 -21 18  36 o 24.467  9.8635  94.679     90.150   79.174     99.343   167.016    214.573  23.636  10.012  28.155  13.075  -4.519873      16.46785 
1 1 1 -21 18  37 o 15.505  7.4170  -61.8900   79.018   -84.9773   87.793   36.600     181.329  15.623  7.5596  24.305  11.514  -8.681155      13.77426 
1 1 1 -21 18  38 o 23.099  8.9293  80.156     71.114   150.329    99.638   7.2900     101.531  28.545  10.678  20.143  9.2233  8.401453       14.10954 
1 1 1 -21 18  39 o 28.471  8.9011  133.560    68.276   91.715     95.788   176.776    97.345   24.370  10.038  30.803  10.675  -6.433775      14.65326 
1 1 1 -21 18  40 o 24.424  10.187  93.413     100.404  350.739    259.670  48.178     108.871  32.157  14.734  22.241  9.9232  9.915806       17.76370 
1 1 1 -21 18  41 o 28.790  10.922  162.686    105.073  -22.7678   270.669  195.593    114.014  24.550  12.157  30.746  11.437  -6.196705      16.69162 
1 1 1 -21 18  42 o 35.174  11.549  259.674    113.929  70.989     285.648  295.367    124.238  25.364  12.548  36.787  12.060  -11.42258      17.40330 
1 1 1 -21 19  1  o 38.637  6.6390  195.794    59.997   317.733    100.471  128.211    74.797   48.209  8.9176  30.529  9.2772  17.68040       12.86814 
1 1 1 -21 19  2  o 21.559  7.9767  51.537     55.307   70.899     92.608   40.803     68.954   25.977  10.149  21.765  8.6776  4.211967       13.35264 
1 1 1 -21 19  3  o 24.156  7.6757  76.145     50.579   84.178     89.017   72.315     61.464   26.785  10.078  24.176  8.4767  2.609606       13.16896 
1 1 1 -21 19  4  o 83.045  4.5027  861.194    90.391   932.971    136.795  805.567    120.427  85.024  6.6847  79.230  6.3168  5.794083       9.197077 
1 1 1 -21 19  5  o 87.674  4.4974  959.883    95.353   1144.32    142.466  810.214    128.337  94.527  6.2466  79.128  6.7489  15.39951       9.196079 
1 1 1 -21 19  6  o 30.446  7.7203  125.898    57.114   70.889     98.344   153.894    70.159   26.260  10.397  33.370  8.6082  -7.110048      13.49782 
1 1 1 -21 19  7  o 96.276  4.4447  1155.17    103.831  1185.73    152.732  1128.90    141.580  95.830  6.6088  93.789  6.2573  2.041206       9.101082 
1 1 1 -21 19  8  o 116.669 4.4926  1698.42    127.180  1773.50    185.184  1631.38    174.969  117.276 6.5337  112.569 6.4326  4.707016       9.168834 
1 1 1 -21 19  9  o 47.450  9.4885  316.097    105.426  0.0000     0.0000   316.097    105.426  ?       ?       47.450  9.4885  0.000000       9.488524 
1 1 1 -21 19  10 o 41.401  8.5072  236.572    82.601   0.0000     0.0000   236.572    82.601   ?       ?       41.401  8.5072  0.000000       8.507197 
1 1 1 -21 19  11 f 78.311  6.4867  796.287    122.146  0.0000     0.0000   796.287    122.146  ?       ?       78.311  6.4867  0.000000       6.486661 
1 1 1 -21 19  12 o 17.246  7.4753  1.4700     57.796   95.453     123.330  -24.9779   65.424   28.830  11.567  16.605  7.5257  12.22557       13.79967 
1 1 1 -21 19  13 f 40.246  6.0500  211.921    57.253   304.336    84.885   134.794    77.547   47.454  7.6307  30.773  9.4643  16.68166       12.15729 
1 1 1 -21 19  14 o 80.241  4.3533  808.146    84.440   835.175    117.415  779.192    121.523  80.333  6.0685  77.187  6.5505  3.146378       8.929444 
1 1 1 -21 19  15 o 42.572  7.3941  245.595    73.607   189.317    84.904   415.878    147.687  36.084  9.5488  51.750  11.996  -15.66636      15.33217 
1 1 1 -21 19  16 o 35.337  8.0874  174.480    67.843   176.846    77.748   166.930    138.899  35.053  9.0714  33.317  12.577  1.736469       15.50734 
1 1 1 -21 19  17 o 31.094  8.3325  136.798    64.140   155.995    72.718   69.534     136.120  32.947  8.8904  27.530  11.693  5.417381       14.68912 
1 1 1 -21 19  18 o 14.630  6.6902  -26.3644   53.180   -32.2064   59.954   -4.8029    115.180  15.313  7.0394  22.581  10.131  -7.268519      12.33683 
1 1 1 -21 19  19 o 13.010  6.0830  -38.9538   47.718   -86.5141   63.399   23.200     72.476   13.376  6.4601  20.276  8.5679  -6.900229      10.73039 
1 1 1 -21 19  20 o 35.398  7.9862  176.115    66.963   32.496     100.215  291.960    90.004   23.181  9.9438  45.511  8.4619  -22.33067      13.05686 
1 1 1 -21 19  21 o 29.045  8.4675  120.734    63.342   64.650     95.241   165.215    84.820   24.769  10.083  33.205  9.8321  -8.436337      14.08315 
1 1 1 -21 19  22 o 39.229  8.0569  217.071    74.124   290.381    109.121  154.265    101.002  43.562  10.456  31.702  10.880  11.86007       15.09032 
1 1 1 -21 19  23 o 62.596  7.5467  538.288    112.310  425.284    232.079  572.845    128.339  44.362  16.354  63.610  8.5300  -19.24746      18.44502 
1 1 1 -21 19  24 o 51.747  8.3639  380.975    101.434  290.103    221.302  405.143    114.128  37.732  15.366  52.518  9.2964  -14.78608      17.95936 
1 1 1 -21 19  25 o 27.986  9.7863  116.560    81.897   129.240    200.419  114.019    89.730   30.830  13.625  27.813  10.182  3.016861       17.00910 
1 1 1 -21 19  26 o 42.999  6.7101  253.463    67.722   238.130    94.449   269.687    97.156   39.026  9.9453  41.820  9.7537  -2.793968      13.92995 
1 1 1 -21 19  27 o 26.392  8.2215  102.454    58.307   26.401     83.294   175.531    81.648   20.809  8.9969  33.447  9.5741  -12.63799      13.13804 
1 1 1 -21 19  28 o 38.539  7.0776  209.687    63.745   253.473    91.046   167.587    89.277   40.296  9.4718  31.961  10.202  8.335112       13.92116 
1 1 1 -21 19  29 o 13.941  6.4923  -32.7899   53.497   -27.3344   73.811   -38.8271   77.646   16.774  7.7471  16.669  7.7823  0.1053410      10.98095 
1 1 1 -21 19  30 o 36.395  7.4521  193.232    63.594   208.744    90.645   178.195    89.244   35.299  10.082  32.423  10.183  2.876785       14.32988 
1 1 1 -21 19  31 o 37.516  7.5804  207.859    66.630   289.984    97.383   135.575    91.362   42.124  9.7247  28.187  10.281  13.93710       14.15138 
1 1 1 -21 19  32 o 22.948  8.4589  78.153     62.086   87.392     88.690   69.275     86.944   24.202  9.7740  22.902  9.5096  1.300653       13.63687 
1 1 1 -21 19  33 o 30.938  8.7259  155.018    68.341   108.316    101.488  193.764    92.441   25.583  10.411  32.792  10.372  -7.209278      14.69587 
1 1 1 -21 19  34 o 27.623  10.336  137.404    93.380   93.738     103.310  332.361    218.293  24.542  10.292  33.187  14.456  -8.645144      17.74533 
1 1 1 -21 19  35 o 19.457  8.8224  10.918     90.029   -5.6922    102.337  67.786     189.353  19.560  9.0645  25.136  11.866  -5.576487      14.93182 
1 1 1 -21 19  36 o 15.837  7.5415  -53.7906   79.764   -13.4488   86.671   -277.0602  203.898  18.094  8.3700  19.506  9.7943  -1.412228      12.88348 
1 1 1 -21 19  37 o 15.519  7.0870  -12.6009   59.422   106.184    85.857   -121.8167  82.326   25.243  9.7965  13.993  6.8868  11.25004       11.97495 
1 1 1 -21 19  38 o 27.134  8.8540  121.437    66.998   56.380     99.160   176.081    90.879   22.280  9.7229  31.053  10.321  -8.773235      14.17927 
1 1 1 -21 19  39 o 23.093  9.8854  73.192     98.674   -80.7870   275.113  95.924     105.707  24.105  11.991  24.552  10.359  -0.4468899     15.84621 
1 1 1 -21 19  40 o 15.603  7.4544  -55.6633   79.268   -271.0215  247.281  -30.9989   83.685   20.927  10.543  16.958  7.9689  3.968838       13.21563 
1 1 1 -21 19  41 o 20.482  9.0266  42.500     87.362   -264.8076  278.667  75.995     92.000   21.480  10.862  22.581  9.6026  -1.100765      14.49835 
1 1 1 -21 20  1  o 55.444  5.2968  390.639    70.391   445.182    115.026  357.984    89.002   57.296  8.5344  52.059  7.2420  5.236130       11.19297 
1 1 1 -21 20  2  o 100.494 4.4302  1259.00    108.025  1495.17    158.756  1055.38    147.413  108.100 6.0773  90.190  6.7859  17.90926       9.109429 
1 1 1 -21 20  3  o 71.383  4.6868  639.877    80.727   840.561    125.014  496.341    105.726  80.691  6.4387  61.400  7.2355  19.29089       9.685538 
1 1 1 -21 20  4  o 37.486  6.4088  184.612    56.198   94.393     95.394   232.565    69.548   27.730  10.433  41.838  7.1050  -14.10782      12.62254 
1 1 1 -21 20  5  o 16.550  6.8443  14.285     44.776   -27.6077   90.409   27.901     51.541   19.603  8.8691  18.711  7.4879  0.8924961      11.60730 
1 1 1 -21 20  6  o 72.610  4.7302  663.280    82.883   748.848    126.819  599.479    109.507  75.629  6.9899  67.783  6.7479  7.845924       9.715571 
1 1 1 -21 20  7  o 67.448  4.9859  575.337    81.019   700.574    126.605  488.481    105.435  72.877  7.2562  60.731  7.3014  12.14652       10.29378 
1 1 1 -21 20  8  o 50.204  6.4588  329.621    76.854   372.125    144.105  312.727    90.853   49.259  12.136  47.935  8.0999  1.323635       14.59056 
1 1 1 -21 20  9  o 96.330  6.2577  1199.48    145.472  0.0000     0.0000   1199.48    145.472  ?       ?       96.330  6.2577  0.000000       6.257702 
1 1 1 -21 20  10 o 71.433  6.6440  667.740    113.837  0.0000     0.0000   667.740    113.837  ?       ?       71.433  6.6440  0.000000       6.644020 
1 1 1 -21 20  11 o 39.491  7.5021  212.000    69.259   177.670    138.981  223.342    79.884   34.324  12.655  39.989  8.4952  -5.664368      15.24233 
1 1 1 -21 20  12 o 41.920  6.1226  230.594    60.439   129.170    87.955   321.327    83.190   30.090  10.155  48.944  7.2220  -18.85418      12.46093 
1 1 1 -21 20  13 o 30.186  7.0147  124.220    50.400   117.868    68.532   131.702    74.378   28.882  8.8995  30.323  9.2592  -1.440868      12.84270 
1 1 1 -21 20  14 o 16.228  7.1485  -5.4703    54.726   3.8221     61.821   -39.1248   117.651  17.814  7.7263  21.440  9.8580  -3.626274      12.52505 
1 1 1 -21 20  15 o 29.507  8.6817  123.976    66.315   152.430    76.348   36.550     133.828  32.388  9.2537  25.782  11.272  6.606319       14.58392 
1 1 1 -21 20  16 o 42.315  7.7738  247.149    76.874   279.049    89.590   158.092    149.692  44.434  8.6206  32.619  12.855  11.81482       15.47758 
1 1 1 -21 20  17 o 55.013  5.2495  389.560    69.222   323.595    103.299  443.325    93.259   47.319  9.3287  57.646  6.7982  -10.32748      11.54294 
1 1 1 -21 20  18 o 35.578  7.5271  175.476    62.951   160.545    90.504   189.470    87.619   32.632  10.256  35.599  9.8231  -2.966991      14.20114 
1 1 1 -21 20  19 o 33.226  7.8455  155.424    62.237   194.249    87.041   114.808    89.026   36.038  9.7276  28.376  10.176  7.661781       14.07769 
1 1 1 -21 20  20 o 23.359  8.2539  71.805     58.361   10.630     89.781   116.570    76.801   20.978  9.2005  28.358  9.4893  -7.379915      13.21727 
1 1 1 -21 20  21 o 57.278  5.9165  431.289    81.042   413.143    119.181  446.896    110.528  52.918  9.6370  56.299  8.3436  -3.381332      12.74702 
1 1 1 -21 20  22 o 77.882  7.1236  823.454    133.125  853.882    265.859  813.272    153.795  64.838  16.772  75.731  8.5173  -10.89317      18.81100 
1 1 1 -21 20  23 o 22.395  9.0722  52.409     76.665   48.506     192.283  53.147     83.597   27.995  12.770  22.901  9.3986  5.094082       15.85612 
1 1 1 -21 20  24 o 58.962  7.9913  492.264    111.382  710.822    235.877  429.546    126.357  58.596  16.096  52.716  10.248  5.879696       19.08148 
1 1 1 -21 20  25 o 51.021  6.4825  353.881    78.441   372.624    116.387  338.282    106.178  48.824  10.155  46.999  9.6342  1.824490       13.99820 
1 1 1 -21 20  26 o 25.309  8.2658  93.907     58.387   76.894     86.861   107.931    78.862   24.317  9.7246  26.707  9.5777  -2.390091      13.64917 
1 1 1 -21 20  27 o 20.603  8.0570  50.638     58.414   57.692     82.046   43.387     83.186   22.537  9.2873  21.638  9.1631  0.8989258      13.04667 
1 1 1 -21 20  28 o 20.230  8.0937  46.560     60.198   127.720    86.999   -27.9898   83.381   27.990  10.057  17.681  8.1898  10.30829       12.97006 
1 1 1 -21 20  29 o 19.957  7.8264  48.272     55.237   57.062     79.877   40.217     76.467   22.044  9.1311  20.687  8.7743  1.356859       12.66353 
1 1 1 -21 20  30 o 46.557  6.7538  307.690    74.069   287.950    105.010  327.235    104.490  40.760  10.540  44.445  9.9384  -3.685616      14.48645 
1 1 1 -21 20  31 o 41.094  7.3059  248.187    70.178   194.989    97.703   304.887    100.867  32.588  10.695  42.515  9.9534  -9.927711      14.61000 
1 1 1 -21 20  32 o 10.588  5.2450  -99.4277   50.535   -114.6649  70.047   -82.8885   72.979   12.800  6.3101  14.114  6.8447  -1.313626      9.309559 
1 1 1 -21 20  33 o 14.368  7.0038  -95.3478   79.136   -126.6071  86.314   69.504     198.216  14.259  7.0244  25.253  11.986  -10.99440      13.89245 
1 1 1 -21 20  34 o 20.042  8.8858  29.070     85.911   -24.8602   95.694   253.116    195.046  18.277  8.5672  30.654  13.500  -12.37721      15.98858 
1 1 1 -21 20  35 o 25.849  10.127  116.840    92.401   156.723    101.763  -70.4973   220.550  28.611  10.773  22.915  11.277  5.696770       15.59599 
1 1 1 -21 20  36 o 11.106  5.5401  -130.9612  60.448   118.635    88.892   -345.6553  82.443   26.076  10.009  ?       ?       0.000000       10.00902 
1 1 1 -21 20  37 o 11.983  5.8488  -79.4480   55.683   -148.1642  80.270   -15.7104   77.308   13.087  6.5048  17.153  7.9242  -4.065905      10.25211 
1 1 1 -21 20  38 o 15.967  7.6983  -74.2513   89.114   76.793     242.238  -97.8923   95.835   25.761  12.488  15.880  7.7334  9.881409       14.68854 
1 1 1 -21 20  39 o 23.555  9.7985  87.874     92.541   -223.2172  275.564  127.418    98.247   22.087  11.128  26.219  10.388  -4.132097      15.22298 
1 1 1 -21 20  40 o 29.368  11.098  182.746    108.215  506.749    273.238  122.471    117.851  33.350  15.217  25.303  10.817  8.046835       18.66981 
1 1 1 -21 21  1  o 107.934 5.0424  1468.08    132.057  1687.22    176.388  1188.60    199.199  114.286 6.3864  93.225  8.9149  21.06126       10.96639 
1 1 1 -21 21  2  o 122.725 4.4660  1883.09    132.989  2084.94    193.017  1700.66    183.495  127.342 6.2468  114.445 6.6364  12.89663       9.113977 
1 1 1 -21 21  3  o 58.603  5.1359  436.504    72.294   562.585    114.363  352.587    93.301   65.111  7.3685  51.168  7.7582  13.94280       10.69970 
1 1 1 -21 21  4  o 61.068  4.9514  472.458    72.736   487.674    113.897  461.979    94.520   60.094  8.0107  59.381  6.6758  0.7123680      10.42776 
1 1 1 -21 21  5  o 107.048 4.4592  1434.09    115.826  1604.29    169.687  1285.61    158.489  111.392 6.3040  99.380  6.6103  12.01180       9.134359 
1 1 1 -21 21  6  o 60.293  5.1052  462.397    73.985   539.981    116.178  409.468    95.959   63.415  7.7090  55.400  7.3176  8.014744       10.62900 
1 1 1 -21 21  7  o 27.109  8.1180  101.179    57.582   190.853    97.233   52.742     71.461   35.883  10.500  22.673  8.8986  13.20994       13.76327 
1 1 1 -21 21  8  f 36.640  9.1303  191.958    80.879   0.0000     0.0000   191.958    80.879   ?       ?       36.640  9.1303  0.000000       9.130344 
1 1 1 -21 21  9  o 50.478  7.5634  344.537    89.785   0.0000     0.0000   344.537    89.785   ?       ?       50.478  7.5634  0.000000       7.563402 
1 1 1 -21 21  10 o 66.023  6.0723  566.831    96.187   810.682    220.266  509.373    106.920  71.202  13.237  61.678  7.2851  9.523891       15.10903 
1 1 1 -21 21  11 o 44.145  6.6225  259.229    68.749   217.497    106.740  288.813    89.872   37.679  10.994  45.461  8.4587  -7.782520      13.87150 
1 1 1 -21 21  12 o 60.963  6.5682  490.830    95.624   542.663    109.737  327.305    194.915  63.590  7.2413  42.209  15.066  21.38125       16.71574 
1 1 1 -21 21  13 o 17.581  7.4787  11.363     55.833   2.3254     60.107   68.208     150.749  17.453  7.5940  28.057  12.117  -10.60478      14.30009 
1 1 1 -21 21  14 o 14.068  6.4457  -26.2522   49.693   -23.4658   54.389   -40.3306   122.255  14.970  6.8144  21.652  9.9895  -6.682495      12.09239 
1 1 1 -21 21  15 o 93.349  6.1322  1138.77    138.123  1155.88    168.220  1103.37    241.979  92.349  7.5739  83.643  12.289  8.705956       14.43578 
1 1 1 -21 21  16 o 24.665  7.5023  83.822     48.898   16.722     63.975   178.099    75.832   18.873  8.0162  35.012  8.9055  -16.13879      11.98199 
1 1 1 -21 21  17 o 24.392  7.8650  81.711     52.956   102.170    73.494   59.618     76.372   26.940  9.2791  23.221  9.1719  3.719206       13.04709 
1 1 1 -21 21  18 o 34.484  7.4604  165.681    60.608   116.614    83.379   220.654    88.255   28.371  9.8771  38.515  9.5023  -10.14459      13.70583 
1 1 1 -21 21  19 o 50.974  5.7986  341.294    70.443   383.706    96.779   293.508    102.729  52.535  7.8315  44.231  9.8272  8.303658       12.56604 
1 1 1 -21 21  20 o 14.619  6.7431  -30.9275   55.654   -37.0325   80.738   -25.4003   76.822   17.543  8.1021  17.652  8.0599  -0.1090603     11.42834 
1 1 1 -21 21  21 o 33.099  9.8548  168.856    85.039   43.357     208.814  193.808    93.109   28.454  13.101  35.152  10.271  -6.698086      16.64777 
1 1 1 -21 21  22 o 30.217  10.007  141.315    85.460   341.676    200.167  96.652     94.506   40.170  15.113  26.463  10.276  13.70629       18.27541 
1 1 1 -21 21  23 o 30.106  10.012  142.088    85.514   192.910    216.314  132.675    93.098   32.722  14.318  29.145  10.411  3.577160       17.70292 
1 1 1 -21 21  24 o 15.196  6.9129  -18.3499   55.854   -29.8792   88.459   -10.7059   72.028   18.360  8.4798  17.603  7.9445  0.7569294      11.61988 
1 1 1 -21 21  25 o 27.347  8.5527  113.097    63.029   46.674     95.698   163.982    83.761   22.665  9.7198  31.871  9.8418  -9.205542      13.83241 
1 1 1 -21 21  26 o 23.650  8.6162  80.362     64.148   -50.4491   93.926   194.715    87.818   17.827  8.3977  34.420  9.9517  -16.59304      13.02143 
1 1 1 -21 21  27 o 27.322  8.5399  115.634    62.852   84.388     91.010   144.123    86.903   24.475  9.8952  29.320  10.091  -4.845177      14.13278 
1 1 1 -21 21  28 o 15.501  6.9683  -6.7495    54.779   -25.0186   77.415   11.571     77.525   17.056  7.8971  18.925  8.4134  -1.869041      11.53905 
1 1 1 -21 21  29 o 27.215  8.6200  118.158    63.828   114.284    87.025   122.668    93.901   26.235  9.9429  26.832  10.290  -0.5976448     14.30897 
1 1 1 -21 21  30 o 14.263  6.7136  -38.6436   59.820   14.155     83.739   -93.6695   85.486   19.275  8.6438  15.151  7.3616  4.123497       11.35374 
1 1 1 -21 21  31 o 9.1540  4.6278  -153.3295  50.268   -197.7460  67.088   -96.4713   75.905   10.534  5.3273  13.982  6.8252  -3.447241      8.658140 
1 1 1 -21 21  32 o 25.599  10.024  113.968    90.519   131.392    101.433  45.817     200.605  26.713  10.564  24.556  11.765  2.157778       15.81229 
1 1 1 -21 21  33 o 26.000  10.130  120.369    92.088   116.619    101.018  138.810    224.008  25.644  10.405  26.804  12.727  -1.159723      16.43936 
1 1 1 -21 21  34 f 26.044  10.224  121.569    94.363   2.9263     103.999  674.261    224.465  19.836  9.1732  47.511  16.221  -27.67517      18.63534 
1 1 1 -21 21  35 o 18.880  8.1348  30.515     67.624   -8.5070    96.571   68.060     94.726   18.927  8.7833  22.572  9.6748  -3.645342      13.06706 
1 1 1 -21 21  36 o 20.805  8.3108  58.709     63.362   45.854     89.945   71.373     89.273   21.120  9.2372  22.614  9.5297  -1.493694      13.27182 
1 1 1 -21 21  37 o 22.841  9.6753  75.024     92.789   143.108    249.457  64.091     99.961   26.823  12.920  22.421  9.7739  4.401554       16.20019 
1 1 1 -21 21  38 f 33.547  11.545  238.436    113.769  413.966    289.273  206.317    123.741  31.188  14.705  30.417  11.773  0.7710552      18.83731 
1 1 1 -21 21  39 o 16.000  7.6575  -51.9000   84.434   105.000    266.777  -69.3662   89.010   25.215  12.408  15.830  7.6476  9.384747       14.57526 
1 1 1 -21 22  1  o 28.843  7.7438  114.811    55.335   96.756     98.173   123.218    66.990   27.700  10.546  29.611  8.7296  -1.911013      13.68999 
1 1 1 -21 22  2  o 60.972  5.2081  474.324    76.311   564.229    119.651  412.681    99.076   64.691  7.7786  55.376  7.5722  9.315456       10.85564 
1 1 1 -21 22  3  o 52.366  5.4327  352.311    68.023   437.944    108.207  296.358    87.468   56.656  8.1019  46.496  8.0442  10.16015       11.41709 
1 1 1 -21 22  4  o 17.064  7.0322  17.559     47.041   19.867     89.335   16.673     55.333   21.817  9.3745  18.037  7.5461  3.780252       12.03434 
1 1 1 -21 22  5  o 50.250  5.3184  324.280    63.860   348.317    103.362  309.441    81.214   49.828  8.8744  48.021  7.1914  1.807480       11.42240 
1 1 1 -21 22  6  o 70.663  4.8125  632.907    82.023   722.751    126.195  567.188    107.931  73.701  7.1465  65.425  6.9031  8.276443       9.936078 
1 1 1 -21 22  7  o 92.214  6.3262  1109.29    140.691  0.0000     0.0000   1109.29    140.691  ?       ?       92.214  6.3262  0.000000       6.326166 
1 1 1 -21 22  8  o 40.993  8.4811  236.404    81.576   0.0000     0.0000   236.404    81.576   ?       ?       40.993  8.4811  0.000000       8.481091 
1 1 1 -21 22  9  o 47.326  8.1934  310.992    90.679   0.0000     0.0000   310.992    90.679   ?       ?       47.326  8.1934  0.000000       8.193427 
1 1 1 -21 22  10 o 54.724  6.3246  394.670    82.433   475.865    151.759  360.687    98.179   55.370  11.664  50.962  8.2195  4.408089       14.26921 
1 1 1 -21 22  11 o 39.257  8.5303  219.045    78.932   189.621    87.680   344.819    181.276  35.668  9.8201  43.468  14.579  -7.799786      17.57762 
1 1 1 -21 22  12 o 40.651  7.7794  229.384    73.938   288.548    82.018   -27.2718   170.826  45.792  7.6517  25.397  11.749  20.39452       14.02112 
1 1 1 -21 22  13 o 87.288  6.2349  1000.02    131.184  919.221    155.361  1200.72    244.865  81.816  7.9254  87.872  11.781  -6.056358      14.19882 
1 1 1 -21 22  14 o 69.404  6.4587  637.900    107.518  490.464    124.128  1080.86    215.153  58.567  9.0246  84.830  10.690  -26.26255      13.99019 
1 1 1 -21 22  15 o 28.535  7.0014  112.613    48.112   78.234     64.630   155.346    72.056   24.275  8.6742  32.613  8.8707  -8.338221      12.40692 
1 1 1 -21 22  16 o 29.814  8.0420  126.885    59.514   53.502     84.224   200.067    84.108   23.189  9.4657  36.657  9.4088  -13.46752      13.34632 
1 1 1 -21 22  17 o 15.474  6.8711  -7.7160    51.560   9.1164     75.496   -22.4301   70.586   19.456  8.4874  17.104  7.7770  2.352617       11.51166 
1 1 1 -21 22  18 o 34.825  7.8931  172.616    65.156   144.454    88.958   205.209    95.700   30.716  10.211  36.238  10.363  -5.522182      14.54828 
1 1 1 -21 22  19 o 40.663  7.0164  227.615    66.727   298.057    92.959   152.740    95.839   45.234  8.7862  31.221  10.600  14.01272       13.76775 
1 1 1 -21 22  20 o 52.484  9.5209  412.380    116.781  0.0000     0.0000   412.380    116.781  ?       ?       52.484  9.5209  0.000000       9.520930 
1 1 1 -21 22  21 o 34.176  9.6763  181.859    83.871   -113.4280  193.703  249.992    93.045   23.464  11.322  40.296  9.6447  -16.83247      14.87315 
1 1 1 -21 22  22 o 43.638  9.7942  296.275    101.159  277.160    226.535  301.036    113.057  35.382  15.058  42.818  10.864  -7.436546      18.56792 
1 1 1 -21 22  23 o 51.433  6.3277  360.396    77.303   350.480    112.359  369.308    106.520  46.910  10.165  49.220  9.2590  -2.310364      13.74977 
1 1 1 -21 22  24 o 23.626  8.3657  80.361     59.984   -5.8171    91.221   146.009    79.617   19.491  8.8542  30.115  9.6367  -10.62376      13.08678 
1 1 1 -21 22  25 o 15.111  6.9780  -26.3072   59.856   -45.8031   97.270   -14.4252   75.937   18.221  8.5717  17.555  8.0149  0.6652317      11.73512 
1 1 1 -21 22  26 o 18.979  8.0371  29.275     63.999   121.387    100.871  -32.7874   82.798   27.068  10.587  17.284  8.0583  9.783613       13.30482 
1 1 1 -21 22  27 o 22.358  8.1957  72.461     58.167   -12.3477   87.512   139.582    77.853   18.482  8.4995  28.872  9.5504  -10.39013      12.78481 
1 1 1 -21 22  28 o 21.632  8.2932  65.880     60.981   86.201     83.764   42.963     88.951   23.883  9.5502  21.236  9.2393  2.646997       13.28799 
1 1 1 -21 22  29 o 22.217  8.3825  73.271     61.677   -21.8075   83.456   187.695    91.554   17.471  8.1269  32.048  10.342  -14.57735      13.15324 
1 1 1 -21 22  30 o 52.187  6.4831  389.130    80.325   333.493    112.208  447.609    115.038  42.618  10.829  51.945  9.4763  -9.326756      14.38971 
1 1 1 -21 22  31 o 31.331  10.346  184.241    91.378   219.653    100.103  7.2486     223.793  33.717  10.807  24.041  11.732  9.676050       15.95115 
1 1 1 -21 22  32 o 16.976  7.8521  -14.6144   76.246   24.281     83.178   -219.2218  190.773  19.452  8.6768  19.371  9.6901  0.8097267E-01  13.00707 
1 1 1 -21 22  33 o 15.973  7.5914  -47.0123   80.035   -39.3241   88.382   -82.0442   188.661  17.011  8.0534  21.421  10.520  -4.409678      13.24831 
1 1 1 -21 22  34 o 14.958  6.9549  -24.4064   61.010   -35.5465   84.423   -12.2283   88.268   16.835  7.9397  18.096  8.3976  -1.261364      11.55676 
1 1 1 -21 22  35 o 16.519  7.5537  -8.1618    67.794   -27.9901   93.766   13.557     98.134   17.888  8.4156  19.870  9.0868  -1.981167      12.38519 
1 1 1 -21 22  36 o 15.442  7.5427  -101.2447  93.116   -21.1330   233.082  -116.4588  101.574  23.567  11.597  15.787  7.7460  7.779333       13.94586 
1 1 1 -21 22  37 o 34.931  11.840  266.806    119.577  548.451    272.770  199.805    133.042  34.838  15.614  29.309  11.923  5.529285       19.64510 
1 1 1 -21 22  38 o 12.562  6.2849  -162.7572  80.408   -139.8792  255.375  -165.2748  84.717   21.763  10.932  12.949  6.4745  8.813274       12.70505 
1 1 1 -21 23  1  o 18.664  7.4623  29.744     51.137   28.378     93.274   30.331     61.145   22.572  9.6355  19.768  8.0667  2.804255       12.56644 
1 1 1 -21 23  2  o 28.630  8.1026  114.842    58.822   203.336    99.664   67.537     72.867   36.664  10.602  23.897  9.0883  12.76776       13.96422 
1 1 1 -21 23  3  o 44.731  6.0412  262.505    63.891   354.103    107.779  212.878    79.333   49.786  9.2629  38.730  8.6592  11.05602       12.67999 
1 1 1 -21 23  4  o 33.717  6.8606  154.139    54.218   36.975     95.959   209.083    65.712   23.244  9.8423  39.238  7.1659  -15.99425      12.17462 
1 1 1 -21 23  5  o 12.796  6.0330  -46.2731   48.676   82.086     89.964   -99.4034   57.880   25.923  10.037  12.098  5.9174  13.82448       11.65153 
1 1 1 -21 23  6  o 37.481  6.9670  190.496    61.029   155.367    121.506  202.348    70.578   32.120  11.835  38.123  7.8899  -6.003067      14.22343 
1 1 1 -21 23  7  o 27.973  8.6564  111.016    64.760   0.0000     0.0000   111.016    64.760   ?       ?       27.973  8.6564  0.000000       8.656425 
1 1 1 -21 23  8  o 31.832  8.9413  147.074    71.910   0.0000     0.0000   147.074    71.910   ?       ?       31.832  8.9413  0.000000       8.941283 
1 1 1 -21 23  9  o 88.691  7.1749  1056.59    153.082  1121.74    196.941  957.149    243.322  88.598  9.2999  75.567  13.778  13.03070       16.62301 
1 1 1 -21 23  10 o 51.173  7.4045  357.490    89.266   339.199    100.592  425.271    193.640  48.731  8.8326  47.512  15.010  1.218811       17.41619 
1 1 1 -21 23  11 o 49.224  7.2419  330.040    83.910   337.773    94.580   301.451    181.853  49.056  8.2380  40.211  14.529  8.845211       16.70192 
1 1 1 -21 23  12 o 52.661  7.2463  377.650    90.139   377.959    102.675  376.610    188.247  51.694  8.4799  44.433  14.857  7.261005       17.10633 
1 1 1 -21 23  13 o 13.151  6.0451  -25.3749   44.198   -6.6748    56.146   -55.8447   71.670   16.211  7.1856  15.668  7.3667  0.5427608      10.29086 
1 1 1 -21 23  14 o 49.689  5.9477  325.788    70.284   375.811    102.380  281.198    96.660   51.413  8.5042  43.609  9.4110  7.803551       12.68422 
1 1 1 -21 23  15 f 21.568  7.9224  57.903     54.392   26.457     73.551   95.857     80.804   20.373  8.6212  26.299  9.6568  -5.925995      12.94524 
1 1 1 -21 23  16 o 40.144  6.8259  220.185    64.108   190.314    87.682   254.493    93.969   35.199  9.8685  41.102  9.5966  -5.902893      13.76519 
1 1 1 -21 23  17 o 23.092  8.0463  72.120     55.340   93.173     77.237   49.911     79.331   25.820  9.4472  22.383  9.1673  3.437210       13.16393 
1 1 1 -21 23  18 o 14.942  7.0703  -58.4306   67.970   -69.1329   145.840  -55.4609   76.823   21.874  10.352  16.177  7.6125  5.696964       12.84989 
1 1 1 -21 23  19 o 37.786  9.3831  218.219    85.634   -58.1676   176.948  302.749    97.857   23.882  11.332  44.832  9.3007  -20.94959      14.65998 
1 1 1 -21 23  20 o 27.412  9.5586  113.949    78.103   274.227    159.887  63.716     89.510   37.255  13.598  23.638  9.7160  13.61697       16.71270 
1 1 1 -21 23  21 o 32.752  8.3324  160.427    66.376   158.251    88.990   163.157    99.653   31.176  10.206  31.235  10.802  -0.5912399E-01 14.86096 
1 1 1 -21 23  22 o 49.087  6.4920  331.865    75.425   338.070    107.724  325.897    105.642  46.102  9.9238  45.268  9.8942  0.8347702      14.01346 
1 1 1 -21 23  23 o 31.003  8.5979  148.646    66.939   99.839     99.238   189.390    90.672   25.863  10.376  33.556  10.218  -7.692295      14.56276 
1 1 1 -21 23  24 o 19.512  8.0454  38.202     61.616   58.032     94.277   23.416     81.410   22.809  9.7107  19.995  8.7654  2.814590       13.08168 
1 1 1 -21 23  25 o 25.347  8.8033  100.637    66.217   142.487    95.611   62.060     91.796   28.545  10.501  22.752  9.6298  5.793268       14.24785 
1 1 1 -21 23  26 o 10.876  5.4106  -118.8662  56.069   -23.1233   95.661   -168.9713  69.203   18.594  8.6665  11.416  5.7283  7.177973       10.38853 
1 1 1 -21 23  27 o 20.096  8.3562  45.625     67.267   35.351     99.781   54.184     91.074   21.271  9.4946  21.859  9.4291  -0.5871811     13.38121 
1 1 1 -21 23  28 o 20.048  8.1300  50.451     61.638   68.418     83.472   28.907     91.406   22.281  9.2904  20.327  9.0791  1.954636       12.99005 
1 1 1 -21 23  29 o 30.275  8.8597  154.096    69.228   109.491    91.946   212.478    105.191  25.097  10.016  32.557  11.105  -7.460007      14.95420 
1 1 1 -21 23  30 o 29.725  10.249  167.140    89.676   163.160    99.528   184.308    206.728  28.779  10.690  27.540  12.804  1.239197       16.68002 
1 1 1 -21 23  31 o 45.309  10.137  363.561    108.654  372.831    123.526  331.868    228.406  43.495  11.521  31.198  14.108  12.29715       18.21432 
1 1 1 -21 23  32 o 21.312  8.4204  66.235     64.387   1.4011     89.919   134.455    92.238   18.702  8.6061  26.780  10.216  -8.078411      13.35750 
1 1 1 -21 23  33 o 16.888  7.4861  10.423     60.944   81.257     81.078   -81.5868   92.406   22.884  9.3080  15.926  7.7183  6.958520       12.09176 
1 1 1 -21 23  34 o 13.322  6.4125  -61.1231   61.201   -49.6980   87.949   -71.8496   85.218   16.557  7.8939  15.566  7.5108  0.9908628      10.89612 
1 1 1 -21 23  35 o 19.434  9.0188  2.1332     101.818  108.034    257.984  -17.4055   110.813  25.711  12.558  19.252  9.0846  6.459248       15.49945 
1 1 1 -21 23  36 o 26.051  10.551  133.433    103.677  180.482    257.892  124.363    113.230  26.511  12.859  25.361  10.712  1.150246       16.73662 
1 1 1 -21 23  37 o 16.720  8.0525  -56.7276   96.815   132.367    244.195  -91.9936   105.457  25.071  12.239  16.382  8.0071  8.689142       14.62574 
1 1 1 -21 24  1  o 53.490  5.6384  371.703    72.077   453.473    114.519  318.061    92.753   56.869  8.5648  47.669  8.3220  9.200855       11.94204 
1 1 1 -21 24  2  o 77.456  4.8069  763.123    89.895   917.524    137.782  648.684    118.619  82.986  6.9053  69.499  7.1354  13.48681       9.929645 
1 1 1 -21 24  3  o 43.447  7.1035  256.173    72.297   304.062    109.360  218.995    96.357   45.006  10.244  38.028  10.222  6.978348       14.47226 
1 1 1 -21 24  4  o 39.779  6.3394  211.074    59.134   163.732    100.598  236.068    73.096   32.684  10.858  41.372  7.5602  -8.687702      13.23104 
1 1 1 -21 24  5  o 77.527  4.7219  764.255    88.402   906.158    134.620  656.669    117.217  82.490  6.7860  69.963  6.9988  12.52705       9.748460 
1 1 1 -21 24  6  o 31.999  8.6879  148.335    69.190   0.0000     0.0000   148.335    69.190   ?       ?       31.999  8.6879  0.000000       8.687857 
1 1 1 -21 24  7  o 24.752  10.819  35.506     123.224  0.0000     0.0000   35.506     123.224  ?       ?       24.752  10.819  0.000000       10.81905 
1 1 1 -21 24  8  o 31.958  12.450  157.467    139.087  0.0000     0.0000   157.467    139.087  ?       ?       31.958  12.450  0.000000       12.45036 
1 1 1 -21 24  9  o 42.013  9.5922  262.589    95.632   261.898    123.334  263.630    151.441  39.925  11.864  38.665  13.320  1.260063       17.83720 
1 1 1 -21 24  10 o 71.118  6.5560  674.046    111.857  754.164    130.501  452.191    217.163  74.453  7.3184  46.841  15.955  27.61180       17.55374 
1 1 1 -21 24  11 o 20.064  7.5217  46.819     49.498   -61.4981   69.620   157.537    70.388   15.135  7.1597  32.826  8.6978  -17.69163      11.26557 
1 1 1 -21 24  12 o 12.207  5.8551  -61.5836   49.987   -85.2680   73.066   -40.7450   68.536   14.650  7.0410  15.903  7.3866  -1.252381      10.20478 
1 1 1 -21 24  13 o 15.056  6.8092  -17.2510   53.229   53.573     75.295   -88.0084   75.259   22.464  9.0291  14.818  7.1273  7.646734       11.50313 
1 1 1 -21 24  14 o 60.557  5.4925  478.917    79.827   576.856    112.645  380.114    113.141  64.835  7.2866  50.453  9.5927  14.38194       12.04632 
1 1 1 -21 24  15 o 50.369  6.0023  337.503    71.913   269.268    104.879  398.048    98.793   41.338  10.451  53.151  7.9008  -11.81222      13.10098 
1 1 1 -21 24  16 o 32.901  7.8526  155.959    61.818   101.633    84.479   218.579    90.699   26.580  9.8536  37.517  9.8411  -10.93744      13.92626 
1 1 1 -21 24  17 o 16.750  7.5785  -15.2174   66.023   119.132    139.526  -53.9793   74.945   28.753  12.002  15.954  7.5111  12.79842       14.15843 
1 1 1 -21 24  18 o 33.151  9.9750  175.409    86.786   174.938    172.981  175.568    100.327  31.566  13.282  32.515  10.846  -0.9489994     17.14743 
1 1 1 -21 24  19 o 31.406  9.7522  157.362    82.114   171.924    173.679  153.170    93.186   31.076  13.204  30.570  10.452  0.5060787      16.83992 
1 1 1 -21 24  20 o 51.586  5.9496  359.355    73.106   395.392    99.393   316.881    107.905  51.991  8.1465  44.212  10.257  7.778866       13.09853 
1 1 1 -21 24  21 o 10.392  5.1625  -108.5434  50.295   2.0133     74.572   -200.7993  68.121   18.331  8.1933  10.752  5.4309  7.579069       9.829788 
1 1 1 -21 24  22 o 37.250  7.7594  205.439    67.856   195.639    100.047  213.788    92.341   33.222  10.819  35.551  10.183  -2.329395      14.85743 
1 1 1 -21 24  23 o 25.937  8.6276  105.317    63.502   164.677    93.278   54.039     86.695   30.573  10.457  22.051  9.3471  8.521757       14.02537 
1 1 1 -21 24  24 o 17.898  7.7037  20.810     60.524   -19.3504   86.726   58.939     84.505   18.043  8.3555  22.091  9.2886  -4.048458      12.49364 
1 1 1 -21 24  25 o 21.845  8.3805  68.454     62.299   65.846     94.182   70.483     83.070   22.713  9.6887  22.633  9.3381  0.8014107E-01  13.45628 
1 1 1 -21 24  26 o 18.214  7.9138  22.819     65.086   28.215     92.604   17.550     91.496   20.392  9.1211  19.801  8.9438  0.5902309      12.77444 
1 1 1 -21 24  27 o 22.094  8.7325  72.731     69.271   120.149    96.845   23.057     99.123   25.810  10.286  20.343  9.2368  5.466690       13.82455 
1 1 1 -21 24  28 o 13.122  6.2709  -49.8054   56.185   -66.2001   77.374   -31.5173   81.720   14.970  7.2068  16.674  7.8480  -1.704651      10.65500 
1 1 1 -21 24  29 o 33.547  10.739  221.255    98.869   278.651    110.249  -14.5126   223.447  37.218  11.253  23.238  11.419  13.98021       16.03185 
1 1 1 -21 24  30 o 23.420  9.7161  89.682     90.641   40.368     101.565  282.650    200.909  21.002  9.4603  30.244  13.488  -9.242186      16.47498 
1 1 1 -21 24  31 o 24.022  8.6667  95.945     64.673   120.944    86.820   64.780     96.937   25.720  9.8871  22.066  9.6218  3.654108       13.79619 
1 1 1 -21 24  32 o 14.362  6.7213  -28.7204   58.486   -62.1931   78.215   13.732     88.084   15.157  7.2846  19.088  8.6825  -3.930651      11.33366 
1 1 1 -21 24  33 o 17.252  7.5920  16.164     61.586   -94.5112   82.297   157.032    92.846   14.537  7.0988  28.444  10.365  -13.90668      12.56323 
1 1 1 -21 24  34 f 15.364  7.4108  -67.6980   82.787   -582.8381  244.921  -1.2490    87.965   ?       ?       18.312  8.4573  0.000000       8.457311 
1 1 1 -21 24  35 o 21.495  9.4745  59.629     96.285   -80.1305   243.953  85.418     104.792  22.239  11.099  23.036  10.025  -0.7969990     14.95652 
1 1 1 -21 24  36 o 21.605  9.5502  66.214     98.513   242.873    250.338  33.844     107.159  26.668  12.869  20.410  9.3932  6.257574       15.93230 
1 1 1 -21 25  1  o 18.265  7.3623  28.077     50.220   -25.6123   94.042   49.495     59.398   19.566  8.9275  21.137  8.1635  -1.571186      12.09722 
1 1 1 -21 25  2  f 41.888  6.7869  237.451    66.620   312.637    108.785  192.331    84.271   45.550  10.107  35.886  9.5211  9.664261       13.88531 
1 1 1 -21 25  3  o 45.516  6.2808  275.884    67.517   295.568    111.987  264.643    84.628   43.714  10.655  43.139  8.3871  0.5756836      13.55991 
1 1 1 -21 25  4  o 11.311  5.4562  -62.3281   44.886   -9.9054    90.847   -79.2583   51.628   19.956  8.9723  11.769  5.7190  8.186973       10.63996 
1 1 1 -21 25  5  o 25.630  11.077  52.809     126.161  0.0000     0.0000   52.809     126.161  ?       ?       25.630  11.077  0.000000       11.07685 
1 1 1 -21 25  6  o 41.759  13.602  314.947    158.148  0.0000     0.0000   314.947    158.148  ?       ?       41.759  13.602  0.000000       13.60208 
1 1 1 -21 25  7  o 37.754  13.313  254.046    151.767  0.0000     0.0000   254.046    151.767  ?       ?       37.754  13.313  0.000000       13.31343 
1 1 1 -21 25  8  o 57.925  7.8971  467.913    108.102  428.519    137.117  532.614    175.724  52.160  11.171  55.713  13.201  -3.552784      17.29344 
1 1 1 -21 25  9  o 53.697  6.8875  391.082    87.670   313.630    102.794  597.746    167.914  45.868  9.5468  61.045  11.763  -15.17651      15.14953 
1 1 1 -21 25  10 o 38.792  6.1549  201.804    55.999   128.703    75.725   290.027    83.189   29.352  9.3988  45.429  7.8295  -16.07719      12.23271 
1 1 1 -21 25  11 o 11.137  5.4111  -71.0078   46.185   0.7373     71.062   -123.4734  60.769   18.382  8.1191  11.684  5.7813  6.698294       9.967114 
1 1 1 -21 25  12 o 25.478  8.2815  92.634     58.634   102.463    82.565   82.634     83.282   26.721  9.7690  25.069  9.6708  1.652245       13.74623 
1 1 1 -21 25  13 o 25.607  8.3139  94.186     59.101   99.891     85.917   89.062     81.426   26.489  9.9139  25.466  9.6259  1.023554       13.81822 
1 1 1 -21 25  14 o 39.001  7.1218  212.077    64.912   223.479    95.105   202.133    88.815   37.567  10.180  35.933  9.8796  1.634003       14.18584 
1 1 1 -21 25  15 o 43.160  9.1651  280.748    93.015   188.834    177.028  315.800    109.322  32.396  13.521  44.694  10.293  -12.29802      16.99280 
1 1 1 -21 25  16 o 27.592  9.7581  116.572    81.588   -207.6888  163.481  224.124    94.152   19.596  9.6563  37.381  10.128  -17.78539      13.99390 
1 1 1 -21 25  17 o 45.461  8.8136  310.017    93.712   601.673    187.071  212.307    108.278  56.291  13.802  35.024  11.241  21.26730       17.80087 
1 1 1 -21 25  18 o 38.357  9.5515  232.974    88.557   257.630    180.469  225.154    101.635  34.554  13.947  36.380  10.760  -1.826145      17.61513 
1 1 1 -21 25  19 o 28.783  8.4548  127.229    62.940   109.449    88.092   145.771    89.959   26.468  10.010  29.542  10.261  -3.074062      14.33498 
1 1 1 -21 25  20 o 17.936  7.5844  23.311     56.859   33.639     78.281   11.777     82.725   20.413  8.7734  19.466  8.6702  0.9467068      12.33470 
1 1 1 -21 25  21 o 40.820  7.2538  241.868    69.215   125.475    96.473   365.327    99.359   27.260  10.436  48.658  8.7368  -21.39818      13.61013 
1 1 1 -21 25  22 o 37.799  7.8827  215.956    69.956   210.318    100.556  221.243    97.385   33.874  10.829  35.177  10.562  -1.302624      15.12726 
1 1 1 -21 25  23 o 10.983  5.3923  -82.6769   49.474   -136.4454  77.598   -45.8515   64.219   13.131  6.5036  14.489  6.8608  -1.358240      9.453407 
1 1 1 -21 25  24 o 25.158  8.7306  103.042    65.121   101.865    99.815   103.915    85.927   24.856  10.244  24.957  9.7685  -0.1004753     14.15461 
1 1 1 -21 25  25 o 16.302  7.2683  4.5053     58.294   -53.6164   89.790   46.852     76.642   16.650  7.9486  20.449  8.7318  -3.799023      11.80782 
1 1 1 -21 25  26 o 20.790  8.4248  59.624     66.138   44.059     102.755  70.634     86.419   21.327  9.5688  22.214  9.3694  -0.8869667     13.39211 
1 1 1 -21 25  27 o 21.047  8.4901  63.607     66.837   190.221    103.864  -25.8775   87.317   30.323  10.976  17.280  8.1268  13.04300       13.65749 
1 1 1 -21 25  28 o 25.082  10.515  118.189    107.790  166.369    116.605  -164.7777  282.590  27.807  11.215  22.340  11.257  5.467134       15.88987 
1 1 1 -21 25  29 o 25.130  10.094  117.266    94.031   87.150     103.825  254.682    221.780  23.276  10.054  28.465  13.243  -5.188803      16.62734 
1 1 1 -21 25  30 o 38.308  8.0486  233.847    72.434   102.720    98.386   389.035    107.033  24.155  10.080  47.344  9.6447  -23.18936      13.95098 
1 1 1 -21 25  31 o 18.010  7.8255  25.869     63.650   -9.9497    82.690   77.950     99.710   17.542  8.1360  22.768  9.8436  -5.225771      12.77069 
1 1 1 -21 25  32 o 16.849  7.4865  11.348     61.302   5.0818     82.339   19.141     91.822   18.184  8.3187  19.449  8.8537  -1.264761      12.14863 
1 1 1 -21 25  33 o 24.250  10.393  106.406    109.306  0.0000     0.0000   106.406    109.306  ?       ?       24.250  10.393  0.000000       10.39329 
1 1 1 -21 25  34 o 21.527  9.8239  52.372     113.935  0.0000     0.0000   52.372     113.935  ?       ?       21.527  9.8239  0.000000       9.823929 
1 1 1 -21 25  35 o 18.731  8.6670  12.168     93.030   -136.8824  260.792  33.900     99.582   21.273  10.731  19.962  9.1380  1.311428       14.09441 
1 1 1 -21 26  1  o 68.400  4.9737  601.224    81.982   627.983    128.064  582.644    106.714  67.051  8.0313  65.794  6.7817  1.257187       10.51163 
1 1 1 -21 26  2  f 52.035  5.9038  357.299    73.222   581.196    118.667  219.645    93.046   64.803  7.6975  37.843  9.9874  26.95954       12.60950 
1 1 1 -21 26  3  o 29.725  10.425  133.894    92.972   173.663    119.337  72.482     148.296  32.714  11.777  27.408  11.927  5.305670       16.76141 
1 1 1 -21 26  4  f 28.197  10.111  116.797    87.895   184.182    109.802  -3.3979    146.647  33.701  11.346  24.273  11.103  9.427620       15.87508 
1 1 1 -21 26  5  o 27.557  11.798  83.708     140.601  0.0000     0.0000   83.708     140.601  ?       ?       27.557  11.798  0.000000       11.79838 
1 1 1 -21 26  6  o 23.214  10.581  -5.1447    131.668  0.0000     0.0000   -5.1447    131.668  ?       ?       23.214  10.581  0.000000       10.58107 
1 1 1 -21 26  7  o 54.746  8.2986  426.525    106.780  458.147    135.267  374.238    173.941  54.318  10.644  44.172  14.255  10.14653       17.79058 
1 1 1 -21 26  8  o 12.084  5.6055  -27.3881   39.273   -28.2733   53.463   -26.3505   57.881   14.395  6.6287  15.146  6.9457  -0.7506990     9.601169 
1 1 1 -21 26  9  o 32.491  7.3909  149.264    56.953   177.101    87.289   128.628    75.155   33.683  9.9743  29.207  9.3645  4.475731       13.68139 
1 1 1 -21 26  10 o 38.083  6.9354  200.691    61.726   244.246    91.869   164.847    83.340   39.972  9.5940  32.577  9.7688  7.395702       13.69209 
1 1 1 -21 26  11 o 40.201  6.7253  222.073    63.284   188.971    92.930   250.699    86.418   34.366  10.318  41.023  8.9350  -6.656235      13.64884 
1 1 1 -21 26  12 o 19.027  7.7722  32.094     56.833   -8.4489    84.222   65.989     77.010   19.046  8.5937  23.249  9.2015  -4.202957      12.59048 
1 1 1 -21 26  13 o 17.222  7.3555  13.709     54.410   142.812    77.738   -110.2689  76.180   30.288  9.5026  14.055  6.8560  16.23236       11.71770 
1 1 1 -21 26  14 o 26.589  9.3623  106.474    75.024   1.7627     159.532  136.208    85.012   24.350  11.296  29.296  9.9828  -4.945415      15.07522 
1 1 1 -21 26  15 o 45.229  8.5465  304.276    90.356   312.054    173.855  301.397    105.762  38.129  14.135  43.223  10.241  -5.093796      17.45559 
1 1 1 -21 26  16 o 33.998  9.5884  185.526    82.521   280.783    163.863  153.160    95.518   36.375  13.676  30.194  10.568  6.180340       17.28354 
1 1 1 -21 26  17 o 44.893  6.5969  280.893    69.715   270.440    93.454   294.010    104.684  41.221  9.5335  42.113  10.324  -0.8913879     14.05274 
1 1 1 -21 26  18 o 20.068  7.7956  49.756     54.408   51.023     75.221   48.366     78.792   21.385  8.8598  21.401  8.9823  -0.1581573E-01 12.61657 
1 1 1 -21 26  19 o 35.417  7.7689  187.872    64.927   105.632    89.276   280.202    94.594   25.741  9.9897  41.478  9.5905  -15.73738      13.84815 
1 1 1 -21 26  20 o 57.304  5.9474  451.771    81.489   503.739    111.588  392.388    119.283  57.676  8.2050  47.720  10.579  9.955303       13.38828 
1 1 1 -21 26  21 o 23.714  8.3131  86.981     59.114   44.722     84.755   127.011    82.490   21.054  9.0891  27.164  9.7898  -6.110289      13.35859 
1 1 1 -21 26  22 o 13.964  6.4921  -25.9387   53.135   -122.5978  78.476   55.886     72.203   13.523  6.6688  21.026  8.6931  -7.503176      10.95643 
1 1 1 -21 26  23 o 17.770  7.7613  19.737     63.301   -25.2347   99.551   50.263     82.018   18.427  8.6698  20.929  8.9874  -2.501890      12.48753 
1 1 1 -21 26  24 o 24.026  8.8142  95.745     67.297   67.164     103.791  116.476    88.396   22.483  9.8756  25.445  9.9221  -2.962236      13.99916 
1 1 1 -21 26  25 o 16.187  7.3838  -4.9664    64.282   16.058     99.585   -19.9841   84.166   19.770  9.0825  17.237  8.0655  2.532619       12.14676 
1 1 1 -21 26  26 o 25.655  10.347  127.316    99.262   147.327    104.948  -42.4856   305.717  26.846  10.705  23.750  11.934  3.096727       16.03135 
1 1 1 -21 26  27 o 22.768  10.046  78.574     108.505  106.293    117.467  -82.5840   283.235  24.225  10.577  22.930  11.517  1.294239       15.63709 
1 1 1 -21 26  28 o 38.996  12.057  336.099    125.670  367.416    135.846  150.247    330.933  39.818  12.572  25.689  12.837  14.12905       17.96756 
1 1 1 -21 26  29 o 55.913  6.2885  451.771    83.834   429.497    118.785  473.875    118.335  48.263  10.446  52.018  9.7333  -3.754417      14.27813 
1 1 1 -21 26  30 o 39.404  7.9037  245.887    72.937   364.898    104.661  133.514    101.700  45.458  9.7790  25.981  10.476  19.47713       14.33058 
1 1 1 -21 26  31 o 16.203  7.2055  8.7381     56.903   83.941     80.522   -66.2795   80.423   22.670  9.2547  15.105  7.2904  7.564657       11.78133 
1 1 1 -21 26  32 o 18.877  8.6552  13.822     89.830   0.0000     0.0000   13.822     89.830   ?       ?       18.877  8.6552  0.000000       8.655216 
1 1 1 -21 26  33 o 29.278  11.162  196.096    110.081  0.0000     0.0000   196.096    110.081  ?       ?       29.278  11.162  0.000000       11.16198 
1 1 1 -21 26  34 o 20.925  9.2318  63.008     91.621   -120.6259  245.040  92.852     98.786   20.882  10.517  22.644  9.7941  -1.762468      14.37119 
1 1 1 -21 27  1  o 18.036  8.3204  -34.1895   84.780   97.306     109.491  -231.0675  133.975  27.079  10.886  17.222  8.5329  9.856050       13.83208 
1 1 1 -21 27  2  o 25.136  9.8517  81.219     87.485   38.730     112.899  145.079    138.408  23.856  10.394  30.571  12.258  -6.714499      16.07108 
1 1 1 -21 27  3  o 16.509  7.7533  -54.2358   79.003   -124.0896  104.232  40.072     121.110  16.892  8.1895  24.378  10.689  -7.485996      13.46565 
1 1 1 -21 27  4  o 37.723  13.512  266.928    156.922  0.0000     0.0000   266.928    156.922  ?       ?       37.723  13.512  0.000000       13.51233 
1 1 1 -21 27  5  f 24.809  11.096  31.821     137.002  0.0000     0.0000   31.821     137.002  ?       ?       24.809  11.096  0.000000       11.09572 
1 1 1 -21 27  6  o 21.707  7.9623  60.492     54.915   67.442     97.832   57.295     66.355   24.516  10.126  22.032  8.5951  2.483208       13.28201 
1 1 1 -21 27  7  o 13.649  6.1946  -17.0019   44.516   -62.0669   74.613   7.9060     55.471   15.606  7.3912  16.978  7.3411  -1.371978      10.41739 
1 1 1 -21 27  8  o 30.164  7.7217  131.489    56.756   19.334     83.779   226.622    77.160   20.538  8.9505  39.391  8.3331  -18.85295      12.22920 
1 1 1 -21 27  9  o 38.245  6.9090  203.357    61.755   216.449    94.447   193.579    81.621   36.765  10.219  35.450  9.3534  1.315491       13.85325 
1 1 1 -21 27  10 o 19.484  7.7196  40.175     54.254   36.200     82.965   43.145     71.712   21.406  9.1112  21.072  8.6830  0.3337822      12.58608 
1 1 1 -21 27  11 o 21.598  7.8374  61.922     53.000   113.806    80.732   22.623     70.261   27.282  9.7005  19.433  8.3308  7.849213       12.78678 
1 1 1 -21 27  12 o 23.272  8.9806  71.865     71.838   98.784     153.599  64.328     81.275   27.548  12.059  23.087  9.3450  4.460627       15.25627 
1 1 1 -21 27  13 o 26.860  9.5667  111.554    78.552   145.315    150.197  98.843     92.161   29.407  12.375  25.908  10.123  3.499113       15.98821 
1 1 1 -21 27  14 o 25.845  9.3989  101.980    76.281   145.044    163.307  89.962     86.271   29.210  12.613  24.967  9.7837  4.243555       15.96297 
1 1 1 -21 27  15 o 10.023  4.9982  -113.9412  49.028   -102.4798  79.615   -120.9428  62.226   14.504  7.0603  11.777  5.8313  2.727505       9.157128 
1 1 1 -21 27  16 o 21.007  8.1163  57.405     58.730   81.518     90.552   39.897     77.159   24.138  9.8296  20.691  8.7963  3.447269       13.19075 
1 1 1 -21 27  17 o 18.144  7.5363  29.761     54.627   106.004    75.892   -52.2159   78.694   25.746  9.3730  16.001  7.5818  9.745262       12.05561 
1 1 1 -21 27  18 o 33.468  7.7735  169.984    61.919   164.355    85.594   176.163    89.682   30.687  10.007  31.526  10.242  -0.8386803     14.31921 
1 1 1 -21 27  19 o 25.172  8.3361  100.244    59.309   98.755     82.373   101.846    85.462   24.736  9.5968  24.986  9.7524  -0.2494183     13.68245 
1 1 1 -21 27  20 o 17.750  7.5814  24.708     57.804   -10.7183   82.550   58.788     80.966   17.828  8.2193  21.586  9.0849  -3.757784      12.25121 
1 1 1 -21 27  21 o 27.586  8.6788  126.887    64.794   79.581     91.874   173.698    91.392   23.086  9.6948  30.345  10.351  -7.259235      14.18184 
1 1 1 -21 27  22 o 22.036  8.4639  74.829     63.592   53.551     90.444   95.632     89.429   21.293  9.2892  23.901  9.7547  -2.607271      13.47007 
1 1 1 -21 27  23 o 15.819  7.2382  -7.8660    62.375   117.381    97.444   -94.8104   81.188   25.120  10.209  14.364  7.0218  10.75587       12.39102 
1 1 1 -21 27  24 o 23.968  8.7829  98.203     66.793   38.010     98.124   150.175    91.176   20.510  9.2631  27.567  10.233  -7.057323      13.80311 
1 1 1 -21 27  25 o 21.981  9.7216  67.822     102.213  23.538     109.740  357.846    280.836  20.298  9.3995  28.779  13.824  -8.481287      16.71673 
1 1 1 -21 27  26 o 26.061  10.605  140.520    105.294  134.669    113.160  178.272    287.443  25.526  10.742  25.740  12.706  -0.2141132     16.63828 
1 1 1 -21 27  27 o 21.915  9.6654  68.651     100.348  86.374     107.150  -57.7979   286.203  22.938  10.056  22.941  11.530  -0.3553391E-02 15.29888 
1 1 1 -21 27  28 o 36.756  8.6217  227.128    75.564   187.106    109.811  263.125    104.141  29.021  11.128  35.819  10.960  -6.798409      15.61883 
1 1 1 -21 27  29 o 16.021  7.2238  2.7328     59.386   34.681     86.611   -25.6146   81.584   19.729  8.8232  16.634  7.8327  3.095379       11.79828 
1 1 1 -21 27  30 o 15.372  7.3553  -49.2187   77.803   -2.8609    242.330  -54.5465   82.153   22.979  11.401  15.584  7.4833  7.395554       13.63756 
1 1 1 -21 27  31 o 19.596  8.8685  31.585     90.478   0.0000     0.0000   31.585     90.478   ?       ?       19.596  8.8685  0.000000       8.868456 
1 1 1 -21 27  32 o 18.562  8.5369  15.457     88.312   0.0000     0.0000   15.457     88.312   ?       ?       18.562  8.5369  0.000000       8.536871 
1 1 1 -21 27  33 o 11.304  5.6681  -144.1682  67.091   -123.6450  245.431  -145.8257  69.748   20.581  10.385  11.568  5.7972  9.013558       11.89374 
1 1 1 -21 28  1  o 22.615  9.5013  47.050     88.301   180.125    116.265  -134.3335  135.737  32.688  11.639  19.315  9.3593  13.37293       14.93539 
1 1 1 -21 28  2  o 18.725  8.4767  -12.5815   82.729   -66.0109   107.701  64.315     129.206  18.904  8.9312  25.714  11.161  -6.809978      14.29472 
1 1 1 -21 28  3  o 35.466  13.299  237.738    154.751  0.0000     0.0000   237.738    154.751  ?       ?       35.466  13.299  0.000000       13.29892 
1 1 1 -21 28  4  o 40.470  8.7530  243.447    83.450   0.0000     0.0000   243.447    83.450   ?       ?       40.470  8.7530  0.000000       8.753016 
1 1 1 -21 28  5  o 46.240  9.1908  321.963    99.485   0.0000     0.0000   321.963    99.485   ?       ?       46.240  9.1908  0.000000       9.190808 
1 1 1 -21 28  6  o 57.021  5.9781  435.186    81.481   434.820    135.485  435.394    101.986  51.492  11.166  55.300  7.8187  -3.807774      13.63097 
1 1 1 -21 28  7  o 16.186  7.0122  6.3621     50.802   20.483     78.345   -3.8836    66.734   20.015  8.6894  17.401  7.7662  2.613831       11.65419 
1 1 1 -21 28  8  o 14.797  6.6188  -8.5621    48.762   -87.8050   82.073   34.670     60.621   15.423  7.4244  19.461  7.9971  -4.037961      10.91213 
1 1 1 -21 28  9  o 26.502  8.2038  104.491    58.160   93.578     88.559   112.768    77.123   25.533  9.9382  27.072  9.4951  -1.539177      13.74499 
1 1 1 -21 28  10 o 10.704  5.2650  -87.4180   47.874   -217.7703  132.409  -67.8147   51.348   16.951  8.4130  12.005  5.8018  4.945798       10.21955 
1 1 1 -21 28  11 o 54.405  7.4619  422.916    95.908   491.902    188.008  398.648    111.509  47.564  14.754  50.664  9.4174  -3.100231      17.50370 
1 1 1 -21 28  12 o 46.658  8.3569  325.568    91.136   643.925    185.585  224.398    104.619  57.856  13.472  35.693  10.995  22.16212       17.38912 
1 1 1 -21 28  13 o 25.976  9.6059  106.140    80.187   113.395    161.253  103.756    92.425   27.398  12.159  25.845  10.127  1.553606       15.82421 
1 1 1 -21 28  14 o 18.078  7.6520  24.760     57.969   104.440    88.896   -34.1882   76.462   25.696  9.9694  16.549  7.7251  9.146597       12.61215 
1 1 1 -21 28  15 o 21.734  8.3842  65.111     62.595   105.669    92.185   30.413     85.265   25.621  10.091  20.454  8.9685  5.167728       13.50010 
1 1 1 -21 28  16 o 16.761  7.2904  12.631     55.357   4.4694     83.334   19.076     74.058   18.811  8.5124  18.876  8.3153  -0.6554222E-01 11.89981 
1 1 1 -21 28  17 o 35.042  7.7697  187.643    64.330   145.286    89.813   232.269    92.187   28.394  10.217  36.351  10.093  -7.957582      14.36168 
1 1 1 -21 28  18 o 17.292  7.3954  22.106     55.131   73.967     76.733   -33.2298   79.263   22.489  9.0881  16.533  7.7648  5.956171       11.95344 
1 1 1 -21 28  19 o 11.540  5.6448  -78.4151   52.708   14.773     73.890   -174.9552  75.207   18.279  8.1640  11.876  5.9608  6.403692       10.10851 
1 1 1 -21 28  20 o 16.273  7.1382  11.987     54.060   19.408     83.139   6.5507     71.155   19.048  8.5716  17.492  7.8952  1.555635       11.65359 
1 1 1 -21 28  21 o 23.869  9.3116  98.176     77.879   235.574    209.330  76.103     83.902   28.145  13.015  22.265  9.3015  5.879862       15.99734 
1 1 1 -21 28  22 o 36.345  8.0397  213.121    69.020   253.478    95.677   169.333    99.662   36.343  10.351  28.480  10.674  7.863190       14.86827 
1 1 1 -21 28  23 o 31.415  8.6543  169.829    68.074   160.316    96.821   179.130    95.730   27.764  10.496  29.354  10.550  -1.589716      14.88168 
1 1 1 -21 28  24 o 28.759  11.148  188.078    111.084  149.734    118.667  459.665    315.819  26.049  10.983  29.086  14.136  -3.036976      17.90107 
1 1 1 -21 28  25 o 22.846  9.9544  88.949     103.577  86.177     109.818  111.278    311.694  22.772  10.074  24.584  12.310  -1.811596      15.90679 
1 1 1 -21 28  26 o 35.211  9.3591  223.682    81.332   219.948    129.870  226.092    104.323  29.485  11.855  32.212  11.058  -2.727205      16.21175 
1 1 1 -21 28  27 o 26.064  9.0181  123.132    69.456   125.397    102.503  121.209    94.444   24.992  10.347  24.885  10.073  0.1060505      14.44083 
1 1 1 -21 28  28 o 15.211  7.0592  -16.1663   62.388   8.5070     94.892   -34.9510   82.798   18.830  8.7272  16.286  7.7345  2.544233       11.66134 
1 1 1 -21 28  29 o 14.079  6.8463  -75.1644   74.354   -57.1270   237.690  -77.1209   78.283   21.900  10.934  14.409  7.0112  7.490822       12.98895 
1 1 1 -21 28  30 o 21.315  9.3515  67.163     92.818   0.0000     0.0000   67.163     92.818   ?       ?       21.315  9.3515  0.000000       9.351549 
1 1 1 -21 28  31 f 29.098  11.043  200.897    107.451  0.0000     0.0000   200.897    107.451  ?       ?       29.098  11.043  0.000000       11.04346 
1 1 1 -21 28  32 o 19.508  8.8071  44.770     88.593   269.494    262.395  15.857     94.119   25.092  12.339  18.454  8.5996  6.638102       15.04014 
1 1 1 -21 29  1  o 61.914  5.6950  508.816    84.596   444.970    147.123  540.352    103.399  50.709  12.122  62.575  6.9262  -11.86608      13.96103 
1 1 1 -21 29  2  o 39.192  7.4586  218.845    68.338   277.140    127.793  195.498    80.873   39.221  12.164  35.525  9.2804  3.696888       15.29988 
1 1 1 -21 29  3  o 42.132  9.6039  276.453    95.996   0.0000     0.0000   276.453    95.996   ?       ?       42.132  9.6039  0.000000       9.603889 
1 1 1 -21 29  4  o 58.826  8.3025  504.797    115.212  0.0000     0.0000   504.797    115.212  ?       ?       58.826  8.3025  0.000000       8.302502 
1 1 1 -21 29  5  o 57.708  5.9272  447.593    81.816   437.860    121.047  455.779    111.013  53.012  9.7705  55.577  8.5025  -2.565273      12.95204 
1 1 1 -21 29  6  o 47.057  6.1365  301.223    68.399   276.814    95.659   326.758    97.841   41.944  9.6059  46.331  9.0278  -4.387405      13.18238 
1 1 1 -21 29  7  o 27.403  7.9825  112.157    56.314   86.730     87.733   129.973    73.439   24.831  9.8233  28.720  9.2621  -3.889156      13.50128 
1 1 1 -21 29  8  o 18.166  7.7391  21.067     59.955   -50.8834   132.139  39.720     67.279   20.771  9.8373  20.199  8.3745  0.5722008      12.91915 
1 1 1 -21 29  9  o 38.874  8.7010  232.033    80.025   363.118    158.501  187.188    92.708   41.591  13.621  33.138  10.374  8.452900       17.12153 
1 1 1 -21 29  10 o 17.920  7.7708  15.662     62.514   23.020     148.364  14.074     68.931   23.750  10.974  18.421  8.0708  5.329269       13.62216 
1 1 1 -21 29  11 o 22.132  8.5791  66.792     65.784   -92.1863   153.690  102.452    72.789   20.648  9.9937  25.543  9.1972  -4.895025      13.58171 
1 1 1 -21 29  12 o 20.091  7.6781  52.512     52.168   102.268    80.882   17.070     68.264   25.365  9.5923  18.399  8.0473  6.965826       12.52083 
1 1 1 -21 29  13 o 11.065  5.3915  -69.4743   46.767   -33.8745   81.802   -86.7606   57.002   16.963  7.9417  11.992  5.8668  4.971018       9.873713 
1 1 1 -21 29  14 o 15.504  6.9468  -2.8303    53.966   3.8799     79.951   -8.4462    73.142   18.449  8.3441  17.221  7.8636  1.227890       11.46563 
1 1 1 -21 29  15 o 24.407  8.5330  95.091     62.263   91.667     88.921   98.384     87.209   24.096  9.7672  24.568  9.7703  -0.4723854     13.81514 
1 1 1 -21 29  16 o 51.597  6.2619  377.448    76.790   413.600    112.241  345.637    105.286  49.483  9.6951  44.716  9.9593  4.767056       13.89903 
1 1 1 -21 29  17 o 12.778  6.1059  -48.6716   53.244   -147.1390  85.066   14.752     68.271   13.516  6.7142  17.792  7.9032  -4.276039      10.37017 
1 1 1 -21 29  18 o 32.803  8.4635  177.573    67.812   167.070    93.316   189.325    98.712   29.177  10.423  30.652  10.743  -1.475277      14.96829 
1 1 1 -21 29  19 o 50.336  6.4811  369.546    77.318   376.129    109.606  363.026    109.084  45.526  10.178  44.455  10.313  1.070526       14.48923 
1 1 1 -21 29  20 f 39.288  9.2129  268.730    86.303   236.972    220.519  274.474    93.784   27.369  12.885  38.564  9.9548  -11.19495      16.28229 
1 1 1 -21 29  21 o 26.575  9.8424  138.318    84.247   -197.1967  215.284  198.990    91.548   19.735  9.9289  31.362  10.356  -11.62705      14.34641 
1 1 1 -21 29  22 o 16.217  7.6502  -25.6556   78.471   -10.4052   80.379   -335.5347  362.325  17.002  7.9311  ?       ?       0.000000       7.931124 
1 1 1 -21 29  23 o 39.745  11.183  330.382    112.393  311.466    117.693  526.292    378.766  37.150  11.698  27.957  13.933  9.192364       18.19306 
1 1 1 -21 29  24 o 20.610  9.3014  49.460     98.724   74.004     105.241  -130.4943  284.964  21.927  9.7718  21.715  10.981  0.2123451      14.69953 
1 1 1 -21 29  25 o 15.689  7.2155  -6.5659    63.080   89.462     94.860   -82.6919   84.460   22.638  9.6917  14.771  7.2081  7.867060       12.07831 
1 1 1 -21 29  26 f 26.876  8.9355  131.427    68.119   -0.9783    100.750  242.926    92.454   18.661  8.7613  35.191  10.222  -16.52973      13.46253 
1 1 1 -21 29  27 o 21.030  8.5235  69.533     67.708   70.178     97.085   68.921     94.476   21.623  9.5233  21.505  9.4348  0.1179199      13.40552 
1 1 1 -21 29  28 o 14.911  7.1519  -48.9432   74.572   -134.6298  217.582  -37.5386   79.379   20.238  10.156  15.760  7.5100  4.477759       12.63075 
1 1 1 -21 29  29 o 25.845  10.208  143.303    94.603   180.515    261.267  137.688    101.490  24.597  12.137  25.177  10.347  -0.5793324     15.94890 
1 1 1 -21 29  30 o 14.968  7.2304  -54.5711   79.525   0.0000     0.0000   -54.5711   79.525   ?       ?       14.968  7.2304  0.000000       7.230373 
1 1 1 -21 29  31 o 21.759  9.4226  90.904     91.658   335.409    246.465  51.661     98.740   25.880  12.557  19.885  9.1015  5.994871       15.50864 
1 1 1 -21 30  1  o 54.538  7.4098  422.753    95.516   510.937    203.796  397.928    108.128  47.242  15.443  51.169  9.0396  -3.927048      17.89453 
1 1 1 -21 30  2  o 49.695  9.3323  381.513    108.397  0.0000     0.0000   381.513    108.397  ?       ?       49.695  9.3323  0.000000       9.332320 
1 1 1 -21 30  3  o 41.039  9.4538  265.474    92.199   0.0000     0.0000   265.474    92.199   ?       ?       41.039  9.4538  0.000000       9.453830 
1 1 1 -21 30  4  o 47.998  8.2347  341.582    92.452   294.894    241.897  349.568    100.047  34.044  15.011  47.790  8.9569  -13.74667      17.48011 
1 1 1 -21 30  5  f 17.488  7.4148  19.867     54.576   97.890     79.676   -49.0990   74.909   25.382  9.5376  15.869  7.4826  9.512326       12.12253 
1 1 1 -21 30  6  o 35.417  9.3874  202.007    81.973   330.151    161.416  157.473    95.157   38.814  13.726  30.190  10.549  8.623470       17.31120 
1 1 1 -21 30  7  o 13.476  6.4600  -62.7966   60.645   24.021     135.484  -84.5501   67.818   23.145  10.619  13.613  6.6009  9.532647       12.50304 
1 1 1 -21 30  8  o 17.149  7.4478  12.882     57.595   -280.2715  140.617  71.975     63.133   16.238  8.1507  22.502  8.4831  -6.263088      11.76424 
1 1 1 -21 30  9  o 29.435  9.0773  141.379    71.281   -92.8736   148.094  212.011    81.320   20.153  9.7679  36.112  9.2421  -15.95970      13.44721 
1 1 1 -21 30  10 o 21.082  7.8516  62.146     53.761   53.262     88.979   67.255     67.469   21.910  9.3834  22.014  8.6445  -0.1046143     12.75830 
1 1 1 -21 30  11 o 30.024  7.9523  140.037    58.853   219.118    89.826   80.556     77.903   35.480  10.003  23.275  9.2412  12.20537       13.61820 
1 1 1 -21 30  12 o 24.206  8.0998  91.698     55.955   13.225     86.077   149.125    73.636   19.296  8.6989  29.648  9.2398  -10.35200      12.69036 
1 1 1 -21 30  13 o 47.238  6.2306  315.847    69.672   346.173    101.175  288.496    96.083   45.532  9.4666  40.946  9.8013  4.585487       13.62653 
1 1 1 -21 30  14 o 38.333  7.2707  220.937    65.152   159.242    98.957   268.143    86.561   28.592  10.652  40.141  9.0975  -11.54950      14.00791 
1 1 1 -21 30  15 o 50.268  6.2890  361.992    75.029   462.288    106.351  262.609    105.865  53.874  8.4105  36.439  11.029  17.43529       13.86985 
1 1 1 -21 30  16 o 19.789  7.9377  53.209     58.064   198.545    86.284   -67.0791   78.497   32.601  9.9760  14.949  7.2119  17.65187       12.30985 
1 1 1 -21 30  17 o 18.522  7.7238  39.838     57.702   184.161    98.305   -36.0257   71.272   29.791  10.692  15.301  7.2402  14.49007       12.91303 
1 1 1 -21 30  18 o 32.026  8.2432  171.132    64.434   133.680    97.230   200.460    86.040   25.730  10.289  32.263  9.9767  -6.533136      14.33177 
1 1 1 -21 30  19 o 36.187  8.9467  228.953    78.113   353.373    208.851  208.718    84.226   30.370  13.633  33.094  9.7972  -2.723343      16.78826 
1 1 1 -21 30  20 o 25.022  8.4061  109.725    60.269   110.683    88.916   108.910    81.974   23.977  9.7496  23.998  9.4950  -0.2103424E-01 13.60912 
1 1 1 -21 30  21 o 16.238  7.7146  -30.8031   82.522   -34.4511   84.715   36.932     365.041  16.276  7.7565  23.537  11.957  -7.261238      14.25211 
1 1 1 -21 30  22 o 30.239  11.168  214.835    108.323  212.172    112.928  245.512    383.242  29.611  11.301  24.948  12.629  4.662916       16.94722 
1 1 1 -21 30  23 o 12.885  6.4350  -149.0545  82.587   -157.2309  84.785   2.5486     365.084  12.926  6.4650  ?       ?       0.000000       6.465044 
1 1 1 -21 30  24 o 13.058  6.2647  -47.8955   57.279   2.0858     92.393   -79.0968   73.000   18.158  8.4814  13.715  6.6945  4.443393       10.80510 
1 1 1 -21 30  25 o 48.232  8.7157  395.891    98.247   367.378    151.186  416.733    129.260  35.661  13.189  43.362  11.917  -7.700703      17.77585 
1 1 1 -21 30  26 o 18.096  7.7436  36.560     60.506   160.574    97.627   -40.7834   77.099   27.061  10.462  15.397  7.3548  11.66413       12.78844 
1 1 1 -21 30  27 o 18.956  8.3875  38.821     76.169   25.863     246.223  40.193     80.098   22.403  11.176  19.204  8.5440  3.198994       14.06797 
1 1 1 -21 30  28 o 23.608  9.6078  112.087    86.445   -130.5748  239.367  148.482    92.702   20.249  10.222  25.986  10.153  -5.736479      14.40770 
1 1 1 -21 30  29 o 20.065  9.0196  57.410     91.765   0.0000     0.0000   57.410     91.765   ?       ?       20.065  9.0196  0.000000       9.019624 
1 1 1 -21 30  30 o 21.915  9.3917  98.554     89.244   -76.1095   264.135  121.063    94.820   20.258  10.279  23.149  9.7918  -2.890575      14.19615 
1 1 1 -21 31  1  o 18.299  8.1423  6.1621     72.768   0.0000     0.0000   6.1621     72.768   ?       ?       18.299  8.1423  0.000000       8.142311 
1 1 1 -21 31  2  o 19.738  8.7580  16.044     83.622   0.0000     0.0000   16.044     83.622   ?       ?       19.738  8.7580  0.000000       8.758023 
1 1 1 -21 31  3  o 36.281  10.572  229.678    98.759   0.0000     0.0000   229.678    98.759   ?       ?       36.281  10.572  0.000000       10.57187 
1 1 1 -21 31  4  o 61.028  8.0237  554.083    115.934  635.538    263.849  534.593    129.061  44.264  17.175  57.909  9.5157  -13.64505      19.63479 
1 1 1 -21 31  5  o 32.567  9.6583  178.392    81.801   270.559    148.687  138.387    97.958   35.020  13.055  28.101  10.572  6.919014       16.79870 
1 1 1 -21 31  6  o 28.848  9.4597  139.622    76.443   149.567    155.001  136.425    87.873   28.128  12.217  28.063  10.105  0.6477547E-01  15.85465 
1 1 1 -21 31  7  o 23.223  8.9336  80.750     70.913   17.715     141.236  101.998    81.998   22.641  10.545  25.115  9.6195  -2.473270      14.27381 
1 1 1 -21 31  8  o 12.060  5.7833  -52.2333   48.692   -39.8833   77.514   -60.2829   62.580   16.200  7.6305  13.674  6.5571  2.525903       10.06081 
1 1 1 -21 31  9  o 14.031  6.4208  -15.3931   49.112   53.892     78.475   -60.0009   62.968   21.191  8.9326  13.696  6.5699  7.494884       11.08855 
1 1 1 -21 31  10 o 19.979  7.8386  53.237     55.433   -21.3472   89.326   99.949     70.691   17.870  8.3443  24.632  9.0342  -6.762402      12.29812 
1 1 1 -21 31  11 o 19.154  7.6168  46.676     53.000   -25.8990   84.951   92.928     67.817   17.240  8.0782  23.870  8.8326  -6.630806      11.96962 
1 1 1 -21 31  12 o 26.001  8.1137  110.007    56.760   180.411    86.185   56.080     75.428   31.131  10.033  20.858  8.7731  10.27319       13.32781 
1 1 1 -21 31  13 o 17.831  7.4187  33.754     53.063   43.001     87.855   28.444     66.579   20.460  9.0326  18.388  7.9968  2.071428       12.06386 
1 1 1 -21 31  14 o 28.486  8.4356  137.199    62.435   192.771    97.664   98.792     81.192   30.661  10.689  23.790  9.4378  6.871078       14.25916 
1 1 1 -21 31  15 o 15.320  6.8404  4.2450     51.833   30.189     79.349   -15.0644   68.456   19.059  8.4899  15.905  7.3858  3.154045       11.25289 
1 1 1 -21 31  16 o 11.014  5.4524  -96.4403   54.269   -86.5364   78.286   -105.6026  75.298   14.125  6.9029  13.283  6.5471  0.8415766      9.513946 
1 1 1 -21 31  17 o 29.920  8.3909  154.574    63.382   119.108    101.896  176.956    80.947   24.297  10.207  30.145  9.7243  -5.847759      14.09771 
1 1 1 -21 31  18 o 12.862  6.2463  -65.8045   61.358   -68.4354   189.484  -65.4963   64.852   20.270  10.061  13.277  6.4419  6.992965       11.94648 
1 1 1 -21 31  19 o 30.083  13.416  358.901    198.764  529.550    232.907  -98.5290   381.323  33.212  14.682  ?       ?       0.000000       14.68233 
1 1 1 -21 31  20 o 14.242  6.9312  -71.3512   76.602   -62.8623   78.643   -228.5132  338.384  14.700  7.1232  ?       ?       0.000000       7.123197 
1 1 1 -21 31  21 o 12.491  6.2558  -155.9483  80.587   -158.6451  82.586   -102.2479  368.526  12.631  6.3268  ?       ?       0.000000       6.326769 
1 1 1 -21 31  22 o 22.416  8.4606  88.447     62.845   103.068    96.479   77.671     82.827   23.025  9.8136  21.463  9.1189  1.562510       13.39626 
1 1 1 -21 31  23 o 18.079  7.6341  39.614     57.480   -109.5209  87.627   152.247    76.152   14.207  7.0136  27.856  9.4486  -13.64944      11.76712 
1 1 1 -21 31  24 o 19.874  7.7660  61.326     54.239   31.855     91.312   77.393     67.422   19.250  8.7888  21.400  8.5642  -2.149717      12.27147 
1 1 1 -21 31  25 o 13.928  6.6327  -37.6014   61.720   -167.7663  215.032  -25.9151   64.431   19.425  9.7916  14.717  6.9395  4.707183       12.00136 
1 1 1 -21 31  26 o 17.378  7.8275  20.257     69.516   -92.3020   244.149  30.187     72.518   20.670  10.421  18.113  8.0889  2.557194       13.19205 
1 1 1 -21 31  27 o 24.295  9.4524  122.075    80.087   -77.4210   256.603  143.605    84.297   20.692  10.460  25.792  9.7833  -5.100574      14.32229 
1 1 1 -21 31  28 o 19.198  8.3951  53.900     74.262   -3.0771    236.455  60.135     78.220   20.770  10.444  19.664  8.6069  1.106068       13.53323 
1 1 1 -21 32  1  o 43.024  11.159  335.122    117.485  0.0000     0.0000   335.122    117.485  ?       ?       43.024  11.159  0.000000       11.15946 
1 1 1 -21 32  2  o 33.627  10.870  209.723    101.100  0.0000     0.0000   209.723    101.100  ?       ?       33.627  10.870  0.000000       10.86967 
1 1 1 -21 32  3  o 17.940  8.1179  0.3735     75.781   8.4878     202.682  -0.9451    81.707   24.327  11.700  18.376  8.3601  5.951584       14.38006 
1 1 1 -21 32  4  o 31.702  9.5667  172.642    79.742   324.583    157.938  120.657    92.382   36.710  13.498  26.363  10.181  10.34752       16.90681 
1 1 1 -21 32  5  o 19.148  8.1625  33.924     66.767   10.544     134.047  41.639     76.998   21.816  10.199  20.312  8.7148  1.503489       13.41489 
1 1 1 -21 32  6  o 37.322  7.5653  211.345    66.164   305.145    96.073   126.720    91.254   42.589  9.5345  26.588  10.156  16.00105       13.93055 
1 1 1 -21 32  7  o 23.581  8.1855  88.044     57.245   62.016     85.660   109.048    76.951   21.824  9.2730  25.279  9.3978  -3.455044      13.20250 
1 1 1 -21 32  8  o 61.998  5.5333  529.426    82.363   557.578    117.812  502.513    115.191  59.363  8.4147  55.752  8.8078  3.611900       12.18132 
1 1 1 -21 32  9  o 38.938  7.3850  230.856    67.220   403.035    100.080  89.343     90.731   50.063  8.5457  23.444  9.7231  26.61830       12.94475 
1 1 1 -21 32  10 o 31.789  7.7932  160.657    59.648   162.989    90.512   158.866    79.304   28.904  10.272  29.402  9.6348  -0.4978256     14.08334 
1 1 1 -21 32  11 o 20.890  8.0772  65.985     58.197   71.509     88.956   61.852     76.950   21.978  9.3966  21.036  8.8554  0.9420700      12.91179 
1 1 1 -21 32  12 o 18.164  7.6065  37.240     56.299   165.724    91.443   -41.1897   71.444   28.613  10.308  15.063  7.1627  13.55072       12.55220 
1 1 1 -21 32  13 o 34.285  7.6892  188.413    62.389   306.029    92.822   91.491     84.261   41.490  9.4336  22.893  9.4203  18.59774       13.33168 
1 1 1 -21 32  14 o 25.687  8.7439  118.845    65.220   187.646    90.313   43.856     94.286   30.126  10.289  20.176  9.0993  9.949759       13.73554 
1 1 1 -21 32  15 o 32.479  8.6650  185.731    69.549   177.250    97.970   194.347    98.748   28.267  10.585  29.559  10.702  -1.292273      15.05260 
1 1 1 -21 32  16 o 29.349  8.9368  159.165    69.358   79.813     97.673   239.874    98.505   21.758  9.5682  33.262  10.727  -11.50365      14.37423 
1 1 1 -21 32  17 o 22.150  8.5309  86.844     64.724   -3.2110    89.898   183.763    93.262   17.608  8.2698  28.827  10.406  -11.21891      13.29212 
1 1 1 -21 32  18 o ?       ?       -72.6384   328.257  0.0000     0.0000   -72.6384   328.257  ?       ?       ?       ?       0.000000       ?        
1 1 1 -21 32  19 o 32.621  11.019  246.171    103.558  256.381    107.438  112.450    388.819  32.898  11.223  ?       ?       0.000000       11.22255 
1 1 1 -21 32  20 o 27.130  10.750  177.339    105.208  186.619    109.287  59.947     388.720  27.459  10.932  ?       ?       0.000000       10.93187 
1 1 1 -21 32  21 o 23.871  8.6552  105.575    64.619   101.610    92.509   109.352    90.300   22.761  9.6522  23.287  9.6823  -0.5258350     13.67156 
1 1 1 -21 32  22 o 28.398  8.3792  143.647    61.697   124.819    90.657   159.891    84.205   24.375  9.8685  27.565  9.8956  -3.189234      13.97539 
1 1 1 -21 32  23 o 25.295  8.2375  114.160    58.004   124.656    86.384   105.542    78.274   24.487  9.7283  23.313  9.2609  1.173962       13.43147 
1 1 1 -21 32  24 f 16.207  7.4130  5.2042     65.353   -154.0834  217.426  21.024     68.521   19.358  9.7688  17.301  7.7840  2.057121       12.49075 
1 1 1 -21 32  25 o 17.976  8.0057  32.715     70.513   -37.6782   227.066  40.228     74.180   20.632  10.356  18.579  8.2461  2.053255       13.23828 
1 1 1 -21 32  26 o 19.820  8.5842  63.181     76.098   119.606    232.269  56.396     80.544   22.269  11.068  19.503  8.6275  2.765587       14.03305 
1 1 1 -21 32  27 o 23.827  9.6394  130.652    86.427   398.232    262.165  98.025     91.545   25.154  12.362  21.571  9.3790  3.582880       15.51758 
1 1 1 -21 33  1  o 23.113  9.7889  76.524     94.952   0.0000     0.0000   76.524     94.952   ?       ?       23.113  9.7889  0.000000       9.788862 
1 1 1 -21 33  2  f 29.248  10.617  164.329    97.281   0.0000     0.0000   164.329    97.281   ?       ?       29.248  10.617  0.000000       10.61747 
1 1 1 -21 33  3  o 48.871  8.5958  381.398    98.208   501.073    177.434  328.543    117.917  44.353  14.406  40.921  11.434  3.432426       18.39191 
1 1 1 -21 33  4  o 40.895  7.2153  250.831    68.979   374.381    98.075   129.884    97.035   48.123  8.7203  26.341  10.359  21.78256       13.54106 
1 1 1 -21 33  5  o 17.092  7.2996  23.519     53.574   -14.8653   76.439   60.581     75.110   16.875  7.8252  21.134  8.8125  -4.258913      11.78532 
1 1 1 -21 33  6  o 19.772  8.0579  51.263     60.913   104.769    90.259   6.5130     82.544   24.368  9.8534  18.290  8.3527  6.077894       12.91735 
1 1 1 -21 33  7  o 34.200  7.9611  187.571    64.827   274.892    95.759   113.694    88.080   38.636  10.101  24.895  9.8446  13.74088       14.10482 
1 1 1 -21 33  8  o 15.395  6.9548  -1.0183    55.352   -65.3698   83.511   49.403     73.922   15.390  7.4281  20.027  8.5641  -4.636829      11.33673 
1 1 1 -21 33  9  o 14.543  6.6552  -9.4162    52.758   -42.6289   81.751   14.288     69.065   15.943  7.6039  17.471  7.8414  -1.527876      10.92276 
1 1 1 -21 33  10 f 22.756  8.2566  87.125     58.817   52.992     91.686   110.995    76.673   20.665  9.1701  24.487  9.3203  -3.821312      13.07513 
1 1 1 -21 33  11 o 31.892  8.0792  170.161    62.591   136.237    96.366   194.915    82.318   25.546  10.233  31.773  9.7476  -6.227703      14.13276 
1 1 1 -21 33  12 o 23.615  8.6334  100.023    64.485   42.329     90.345   159.942    92.070   19.793  8.9186  27.320  10.255  -7.526869      13.59092 
1 1 1 -21 33  13 o 15.630  7.1663  -1.9669    61.573   11.088     88.613   -14.1549   85.618   18.163  8.4234  16.959  7.9973  1.204172       11.61507 
1 1 1 -21 33  14 f 20.927  8.4534  73.555     66.359   116.543    91.457   25.762     96.432   23.767  9.8012  19.043  8.8159  4.724030       13.18266 
1 1 1 -21 33  15 o 18.014  7.7559  38.414     61.384   47.630     84.906   28.321     88.847   19.531  8.7351  18.744  8.5993  0.7867241      12.25768 
1 1 1 -21 33  16 o 21.160  9.4160  75.835     97.333   34.295     106.012  298.827    245.620  19.560  9.1189  25.674  12.475  -6.113863      15.45269 
1 1 1 -21 33  17 o 22.163  11.073  66.165     245.736  0.0000     0.0000   66.165     245.736  ?       ?       22.163  11.073  0.000000       11.07312 
1 1 1 -21 33  18 o 12.953  6.4883  -156.2048  86.879   -140.0750  90.550   -343.0891  308.222  13.597  6.7820  ?       ?       0.000000       6.782035 
1 1 1 -21 33  19 o 20.200  8.1219  67.328     60.948   122.818    80.002   -9.4228    94.088   24.385  9.4585  17.408  8.2610  6.976358       12.55812 
1 1 1 -21 33  20 o 10.087  5.0307  -101.7404  49.738   -97.1426   70.107   -106.4000  70.576   12.711  6.2748  12.513  6.1985  0.1979198      8.820079 
1 1 1 -21 33  21 o 9.1710  4.5827  -94.0207   42.162   -104.8935  76.986   -89.3625   50.391   13.200  6.5271  10.542  5.2247  2.658294       8.360619 
1 1 1 -21 33  22 o 12.437  6.0707  -68.7260   60.033   -30.0698   223.301  -71.7376   62.328   20.721  10.382  12.601  6.1585  8.119308       12.07148 
1 1 1 -21 33  23 o 25.393  9.5849  137.863    80.662   36.612     228.782  152.236    86.197   21.417  10.698  26.160  9.9002  -4.743214      14.57606 
1 1 1 -21 33  24 o 28.637  10.203  189.088    89.355   281.621    257.923  176.467    95.254   24.213  11.968  26.960  10.358  -2.746885      15.82793 
1 1 1 -21 33  25 o 14.383  6.8390  -25.4371   65.103   -5.9916    240.855  -26.9698   67.620   20.319  10.257  14.542  6.9301  5.776740       12.37872 
1 1 1 -21 33  26 o 14.897  7.0818  -18.2648   69.733   194.725    226.450  -40.5778   73.295   22.127  10.985  14.351  6.9347  7.775619       12.99106 
1 1 1 -21 34  1  o 31.262  10.805  198.614    99.688   0.0000     0.0000   198.614    99.688   ?       ?       31.262  10.805  0.000000       10.80468 
1 1 1 -21 34  2  o 29.167  8.8745  147.633    68.413   119.575    100.098  172.228    93.718   25.161  10.300  29.377  10.451  -4.215555      14.67381 
1 1 1 -21 34  3  o 19.649  8.0260  51.368     60.603   -45.8718   85.266   150.637    86.151   16.238  7.7505  27.903  10.010  -11.66455      12.65989 
1 1 1 -21 34  4  o 31.063  8.4514  162.938    65.395   221.879    91.043   100.119    93.991   33.901  10.220  23.706  9.8692  10.19480       14.20760 
1 1 1 -21 34  5  o 15.612  6.9271  8.0435     52.312   67.099     76.595   -43.5841   71.616   21.205  8.8754  14.962  7.1307  6.242566       11.38506 
1 1 1 -21 34  6  o 19.270  7.8890  50.268     58.721   63.780     88.269   39.541     78.648   21.176  9.2085  19.427  8.5629  1.749842       12.57456 
1 1 1 -21 34  7  o 18.450  7.6984  42.069     57.376   20.576     89.369   57.140     74.836   18.897  8.6529  20.271  8.6413  -1.373465      12.22887 
1 1 1 -21 34  8  o 26.829  8.5435  128.129    62.636   60.265     92.032   186.687    85.490   20.829  9.2176  30.425  10.005  -9.596533      13.60396 
1 1 1 -21 34  9  o 15.765  7.0551  9.0497     55.480   12.354     85.206   6.6177     73.099   18.090  8.3437  17.048  7.8133  1.041803       11.43087 
1 1 1 -21 34  10 o 20.438  8.5296  66.015     70.452   58.754     95.307   74.764     104.611  20.546  9.2171  21.480  9.6449  -0.9340229     13.34088 
1 1 1 -21 34  11 f 16.917  7.6538  15.005     67.332   27.984     91.667   -0.2028    99.223   18.876  8.6873  18.123  8.5654  0.7528534      12.19980 
1 1 1 -21 34  12 o 33.988  8.5845  206.545    70.815   180.908    98.040   234.512    102.397  27.707  10.541  31.492  10.947  -3.785458      15.19668 
1 1 1 -21 34  13 o 36.785  8.2480  234.552    71.801   259.545    98.241   205.894    105.198  34.161  10.677  28.704  10.919  5.456808       15.27161 
1 1 1 -21 34  14 o 19.162  8.6639  44.213     86.116   16.790     93.434   198.984    221.968  18.238  8.5222  23.871  11.657  -5.633133      14.43986 
1 1 1 -21 34  15 o 14.517  7.1152  -78.5612   85.006   -65.2489   91.320   -164.9646  232.650  15.366  7.4977  19.243  9.7514  -3.877073      12.30062 
1 1 1 -21 34  16 o 24.417  10.180  140.938    100.204  161.507    108.979  28.420     254.880  25.230  10.575  21.428  10.784  3.801279       15.10352 
1 1 1 -21 34  17 o 18.330  8.5426  21.006     92.900   4.2980     100.326  121.494    246.040  18.034  8.5499  22.474  11.205  -4.439854      14.09457 
1 1 1 -21 34  18 o 22.987  8.8685  103.109    70.040   115.161    98.592   90.829     99.517   22.978  9.8600  21.661  9.5856  1.316839       13.75148 
1 1 1 -21 34  19 o 35.014  8.7936  224.670    74.606   277.932    99.829   157.287    112.285  35.369  10.711  24.932  10.606  10.43712       15.07320 
1 1 1 -21 34  20 o 13.990  6.6095  -25.0612   58.981   -56.6642   77.262   19.079     91.310   14.514  7.0395  18.198  8.4769  -3.683949      11.01877 
1 1 1 -21 34  21 o 17.100  8.0238  2.5330     84.301   -57.8008   185.187  18.304     94.680   19.311  9.6432  18.227  8.5370  1.084015       12.87908 
1 1 1 -21 34  22 o 30.236  10.820  228.248    100.593  357.069    221.648  194.832    112.888  26.266  12.525  26.529  10.909  -0.2631149     16.60974 
1 1 1 -21 34  23 o 20.043  8.7382  71.821     79.923   -338.6974  241.137  122.484    84.712   ?       ?       23.261  9.4938  0.000000       9.493814 
1 1 1 -21 34  24 f 13.969  6.7184  -35.9573   66.844   -99.3249   220.854  -29.5672   70.134   18.687  9.4730  14.485  6.9446  4.202387       11.74588 
1 1 1 -21 35  1  o 28.761  8.8778  148.031    68.163   189.230    100.484  112.913    92.771   29.518  10.779  24.264  9.9228  5.253838       14.65112 
1 1 1 -21 35  2  o 30.422  8.4980  160.177    65.145   157.522    87.468   163.484    97.624   27.809  10.072  27.582  10.512  0.2273941      14.55862 
1 1 1 -21 35  3  o 16.260  7.2821  10.095     59.224   -46.7773   78.232   86.443     90.642   15.327  7.3445  22.356  9.5198  -7.029350      12.02362 
1 1 1 -21 35  4  o 18.572  7.7618  44.233     58.456   -73.4793   79.277   184.492    86.537   14.493  7.0527  30.029  10.073  -15.53597      12.29634 
1 1 1 -21 35  5  o 42.143  7.2957  279.816    71.901   203.775    100.235  360.419    103.198  29.992  10.793  43.670  9.9598  -13.67874      14.68656 
1 1 1 -21 35  6  o 21.533  8.1837  79.089     59.058   67.455     87.345   88.886     80.158   20.844  9.1100  22.146  9.1581  -1.302246      12.91755 
1 1 1 -21 35  7  o 9.9841  4.9867  -105.8214  49.649   -34.0209   82.349   -146.8265  62.232   15.879  7.5893  10.641  5.3514  5.237815       9.286263 
1 1 1 -21 35  8  o 18.668  8.0467  45.436     66.223   60.494     86.275   23.840     103.319  20.184  8.9289  19.076  8.9293  1.107677       12.62766 
1 1 1 -21 35  9  o 18.634  8.0847  45.368     67.737   92.514     89.695   -17.2089   103.337  21.910  9.4032  17.584  8.4302  4.326056       12.62888 
1 1 1 -21 35  10 o 23.483  9.0391  110.208    72.631   194.059    97.840   7.2818     108.400  28.357  10.586  18.489  8.8009  9.867527       13.76655 
1 1 1 -21 35  11 o 22.794  8.8186  101.659    69.406   115.321    91.951   83.567     105.813  23.031  9.6867  21.217  9.5975  1.813957       13.63612 
1 1 1 -21 35  12 f 23.550  9.0090  112.551    71.866   85.237     95.292   148.577    109.438  21.182  9.3764  24.259  10.398  -3.076748      14.00147 
1 1 1 -21 35  13 o 30.820  11.168  246.652    107.556  205.557    118.096  446.536    260.454  26.876  11.115  26.633  12.920  0.2428513      17.04294 
1 1 1 -21 35  14 o 23.965  10.267  143.066    106.585  121.049    117.245  247.897    255.833  22.607  10.176  23.643  11.728  -1.035513      15.52683 
1 1 1 -21 35  15 o 25.333  10.425  163.460    103.214  103.286    112.687  476.888    257.181  21.887  9.9021  27.237  13.119  -5.350315      16.43661 
1 1 1 -21 35  16 o 30.342  8.9163  178.047    69.986   267.931    97.258   81.524     100.787  34.405  10.602  20.951  9.4320  13.45342       14.19036 
1 1 1 -21 35  17 o 21.132  8.5285  82.397     67.479   -5.6288    90.198   194.290    101.693  17.066  8.0957  27.650  10.681  -10.58317      13.40229 
1 1 1 -21 35  18 o 20.299  8.4363  72.122     68.514   57.032     97.884   86.617     95.933   19.829  9.0709  21.212  9.3980  -1.382654      13.06152 
1 1 1 -21 35  19 o 14.223  6.9297  -61.8674   77.183   -18.8811   159.835  -74.9392   88.140   19.157  9.4601  14.727  7.2236  4.430096       11.90264 
1 1 1 -21 35  20 o 13.865  6.8048  -76.1803   78.561   119.273    177.254  -123.9604  87.639   21.852  10.613  13.460  6.7071  8.392262       12.55511 
1 1 1 -21 35  21 o 19.673  8.8720  65.282     89.621   99.893     195.835  56.113     100.795  21.164  10.455  19.433  9.0022  1.731382       13.79658 
1 1 1 -21 35  22 o 13.325  6.5773  -84.0827   76.972   -149.8811  165.485  -65.9177   86.950   16.797  8.4820  14.576  7.1546  2.221357       11.09648 
1 1 1 -21 35  23 o 18.596  8.5386  55.080     87.857   75.708     184.119  48.999     99.972   19.874  9.8735  18.547  8.7141  1.326557       13.16890 
1 1 1 -21 36  1  o 47.690  7.1931  357.293    80.647   662.905    116.655  77.510     111.617  64.103  7.6512  21.686  9.8292  42.41657       12.45605 
1 1 1 -21 36  2  o 33.149  8.3588  191.685    67.219   232.707    93.286   147.383    96.943   33.038  10.416  25.612  10.262  7.426086       14.62252 
1 1 1 -21 36  3  o 15.554  7.1077  1.5653     59.899   26.936     84.641   -23.8882   84.779   18.470  8.4438  16.374  7.7910  2.096153       11.48897 
1 1 1 -21 36  4  o 26.898  8.7785  137.361    65.858   222.706    89.692   37.516     97.013   32.286  10.217  19.338  8.9136  12.94808       13.55904 
1 1 1 -21 36  5  o 10.986  5.4283  -85.0377   52.891   -151.0123  72.671   -10.7298   77.125   11.656  5.8517  16.211  7.6282  -4.555143      9.614156 
1 1 1 -21 36  6  o 14.189  6.7169  -25.8211   61.460   -0.5736    78.516   -65.7653   98.759   16.663  7.7948  15.833  7.7408  0.8307667      10.98533 
1 1 1 -21 36  7  o 27.575  9.1626  153.980    71.629   171.647    93.934   129.434    110.722  26.742  10.283  23.239  10.204  3.502987       14.48684 
1 1 1 -21 36  8  o 33.404  9.2364  218.812    77.372   314.187    105.154  106.221    114.252  36.930  10.950  21.989  9.9573  14.94114       14.80048 
1 1 1 -21 36  9  o 17.941  7.9546  38.631     68.848   77.384     93.222   -7.8710    102.117  20.594  9.1859  17.471  8.3773  3.122896       12.43222 
1 1 1 -21 36  10 o 15.554  7.2359  -1.8703    66.174   -65.0834   86.758   86.068     102.327  14.832  7.2525  20.965  9.4649  -6.132483      11.92404 
1 1 1 -21 36  11 o 21.817  9.6480  104.595    100.650  134.339    110.131  -46.1929   247.968  23.091  10.157  20.026  10.139  3.065092       14.35178 
1 1 1 -21 36  12 o 18.859  8.7727  39.962     97.242   46.657     106.193  5.1925     241.991  19.333  9.0503  20.430  10.309  -1.097309      13.71821 
1 1 1 -21 36  13 o 19.104  8.8903  44.454     100.043  9.6526     109.440  221.392    246.768  18.189  8.7086  22.927  11.397  -4.737703      14.34341 
1 1 1 -21 36  14 o 25.543  9.0928  136.682    70.955   241.222    94.726   3.0480     107.100  31.956  10.533  17.917  8.5878  14.03910       13.59009 
1 1 1 -21 36  15 o 10.812  5.3847  -102.1698  56.147   -205.7673  77.439   12.650     81.526   11.032  5.5943  17.166  8.0008  -6.133224      9.762616 
1 1 1 -21 36  16 o 15.042  6.9565  -1.7631    59.814   -14.7087   83.178   12.100     86.075   16.174  7.7018  17.362  8.1343  -1.188236      11.20196 
1 1 1 -21 36  17 o 18.769  8.4619  47.851     81.462   206.022    180.927  7.6331     91.232   23.654  11.290  17.390  8.2172  6.264681       13.96373 
1 1 1 -21 36  18 o 16.347  8.2646  -192.5946  160.604  -192.5946  160.604  0.0000     0.0000   16.347  8.2646  ?       ?       0.000000       8.264640 
1 1 1 -21 36  19 o 19.922  8.9005  73.448     87.894   328.951    180.301  -6.1966    100.665  26.398  12.162  17.122  8.2376  9.275955       14.68930 
1 1 1 -21 36  20 o 15.502  7.4469  -20.9250   81.532   -60.4450   184.382  -11.3192   90.902   18.262  9.1875  16.340  7.8529  1.921965       12.08634 
1 1 1 -21 36  21 o 25.634  10.254  186.254    96.609   284.323    197.840  155.547    110.706  23.227  11.265  22.794  10.097  0.4326096      15.12837 
1 1 1 -21 37  1  o 21.852  8.2550  87.361     59.862   144.550    79.257   11.406     91.340   25.936  9.5578  17.832  8.3622  8.104710       12.69949 
1 1 1 -21 37  2  o 41.264  7.4760  281.071    72.096   271.044    95.098   294.622    110.558  35.226  10.406  34.274  11.383  0.9518051      15.42233 
1 1 1 -21 37  3  o 24.176  8.4152  111.773    60.523   114.829    83.061   108.313    88.370   23.076  9.4076  22.463  9.4746  0.6130066      13.35175 
1 1 1 -21 37  4  o 46.019  7.3912  349.543    79.738   271.761    115.491  420.395    110.225  31.185  11.529  45.023  10.312  -13.83773      15.46760 
1 1 1 -21 37  5  o 21.980  8.4854  93.887     64.151   54.849     96.777   124.483    85.678   19.473  8.9488  23.431  9.5537  -3.957891      13.09022 
1 1 1 -21 37  6  o 17.153  7.5498  33.685     60.930   -109.6443  92.824   142.196    80.766   14.123  7.0156  25.021  9.5556  -10.89711      11.85446 
1 1 1 -21 37  7  o 13.432  6.4781  -43.6377   63.227   -92.7587   84.660   18.314     95.076   13.857  6.8508  17.847  8.4195  -3.989273      10.85454 
1 1 1 -21 37  8  o 18.042  8.2676  35.677     81.806   69.426     87.028   -220.5049  239.773  19.830  8.8582  ?       ?       0.000000       8.858157 
1 1 1 -21 37  9  o 19.778  9.0426  67.139     97.093   110.567    105.707  -167.2001  245.553  21.722  9.7287  ?       ?       0.000000       9.728688 
1 1 1 -21 37  10 o 14.699  7.2822  -94.4672   97.507   -212.7314  107.144  475.626    235.242  13.260  6.7085  26.989  12.879  -13.72846      14.52164 
1 1 1 -21 37  11 o 19.259  8.9939  52.390     103.830  74.074     114.771  -45.3473   243.664  20.181  9.4350  19.633  9.9523  0.5472755      13.71376 
1 1 1 -21 37  12 o 21.153  8.7142  89.899     72.205   37.356     95.812   158.966    109.849  18.513  8.6437  23.983  10.351  -5.470398      13.48511 
1 1 1 -21 37  13 o 21.394  8.6758  91.819     70.192   89.184     90.993   95.690     110.304  20.870  9.2042  21.060  9.6323  -0.1903706     13.32285 
1 1 1 -21 37  14 o 22.065  8.7962  100.422    70.846   61.187     93.128   154.317    109.150  19.497  8.8915  23.834  10.302  -4.337341      13.60837 
1 1 1 -21 37  15 o 16.713  7.6810  18.478     71.323   -56.6521   95.962   111.202    106.608  15.508  7.5924  21.712  9.7438  -6.203758      12.35258 
1 1 1 -21 37  16 o 14.048  6.9194  -78.4926   83.665   -298.9473  173.994  -12.1890   95.421   ?       ?       16.675  8.0218  0.000000       8.021839 
1 1 1 -21 37  17 o 25.500  12.285  413.730    225.757  413.730    225.757  0.0000     0.0000   25.500  12.285  ?       ?       0.000000       12.28450 
1 1 1 -21 37  18 o 20.530  9.0788  93.127     89.124   98.518     180.374  91.386     102.511  20.320  10.037  20.301  9.2853  0.1945496E-01  13.67359 
1 1 1 -21 37  19 o 16.541  7.8280  13.021     83.362   147.555    174.670  -26.6595   94.862   20.818  10.203  15.782  7.6879  5.036024       12.77513 
1 1 1 -21 37  20 o 21.375  9.4038  125.775    94.431   -244.0410  201.951  229.259    106.829  ?       ?       26.392  10.703  0.000000       10.70293 
1 1 1 -21 38  1  o 14.846  7.1798  -41.4726   78.974   -42.0037   81.315   -32.6441   331.530  15.000  7.2622  ?       ?       0.000000       7.262179 
1 1 1 -21 38  2  o 14.783  6.8094  1.0160     56.481   7.9789     82.847   -5.0306    77.204   16.840  7.9185  16.004  7.5614  0.8360062      10.94884 
1 1 1 -21 38  3  o 22.517  8.7395  105.628    68.335   65.838     95.366   147.618    97.967   19.618  8.9664  23.863  10.016  -4.245209      13.44285 
1 1 1 -21 38  4  o 19.765  8.2208  71.780     65.127   76.090     98.331   68.412     86.926   20.031  9.1354  19.600  8.7971  0.4302826      12.68247 
1 1 1 -21 38  5  o 15.249  7.0277  5.5493     60.262   53.980     92.314   -30.4152   79.550   18.949  8.7200  15.128  7.2891  3.821077       11.36524 
1 1 1 -21 38  6  o 18.422  8.5829  41.400     93.661   101.460    97.952   -599.4396  319.960  21.127  9.4204  ?       ?       0.000000       9.420350 
1 1 1 -21 38  7  o 19.499  9.0836  64.798     104.865  4.2483     115.636  345.132    248.816  17.820  8.6360  23.606  11.684  -5.785105      14.52875 
1 1 1 -21 38  8  o 14.795  7.2620  -63.1611   89.536   -80.2230   96.627   40.455     238.122  14.834  7.3308  20.065  10.138  -5.231746      12.51037 
1 1 1 -21 38  9  o 28.675  11.127  244.962    110.742  202.523    121.906  445.358    264.900  25.047  10.857  24.539  12.129  0.5079689      16.27829 
1 1 1 -21 38  10 o 22.139  8.8526  105.537    71.974   114.910    95.570   93.255     109.401  21.853  9.5408  20.629  9.4928  1.224415       13.45880 
1 1 1 -21 38  11 o 18.299  8.1102  49.947     71.505   89.371     97.295   3.6439     105.443  20.568  9.2627  17.507  8.4245  3.061497       12.52074 
1 1 1 -21 38  12 o 14.410  6.9023  -28.0732   68.932   97.964     93.784   -176.1651  101.659  21.028  9.3054  13.354  6.7317  7.673527       11.48501 
1 1 1 -21 38  13 o 14.619  6.9218  -15.1522   65.335   -11.0301   84.910   -21.1350   102.296  16.079  7.6909  16.632  8.0746  -0.5529404     11.15118 
1 1 1 -21 38  14 o 19.631  9.1065  71.404     103.663  15.739     202.521  91.166     120.670  19.417  9.7509  20.374  9.5727  -0.9572487     13.66442 
1 1 1 -21 38  15 o 16.414  7.9528  -15.7442   97.934   -104.9259  185.994  18.466     115.197  17.595  8.8954  17.964  8.6838  -0.3691578     12.43126 
1 1 1 -21 38  16 o 17.537  8.8888  -107.6779  194.119  -107.6779  194.119  0.0000     0.0000   17.537  8.8888  ?       ?       0.000000       8.888762 
1 1 1 -21 38  17 o 15.354  7.5173  -36.8451   94.123   -0.0033    175.039  -51.8312   111.637  18.212  9.1346  15.803  7.8224  2.408504       12.02628 
1 1 1 -21 38  18 o 20.166  9.0851  105.202    93.699   -49.6718   184.659  158.904    108.737  17.407  8.8066  22.088  9.8816  -4.681171      13.23637 
1 1 1 -21 39  1  o 29.051  9.3431  185.216    74.768   125.528    99.902   261.218    112.732  22.065  9.6906  29.177  11.253  -7.111700      14.85021 
1 1 1 -21 39  2  o 22.306  8.6130  105.833    66.106   -7.6658    96.312   206.930    90.898   16.624  8.0124  28.310  10.265  -11.68597      13.02211 
1 1 1 -21 39  3  o 13.447  6.3797  -21.1664   56.060   -48.9727   88.530   -2.5525    72.433   14.995  7.3310  15.546  7.3386  -0.5504990     10.37296 
1 1 1 -21 39  4  o 25.595  10.748  207.782    112.908  171.856    119.657  499.570    341.013  23.314  10.403  22.811  11.585  0.5028896      15.56975 
1 1 1 -21 39  5  o 19.848  9.2096  81.221     106.120  30.076     111.940  535.022    333.439  18.200  8.7385  23.180  11.739  -4.979527      14.63420 
1 1 1 -21 39  6  o 13.065  6.5350  -124.2808  86.658   -112.4454  90.041   -272.9328  319.108  13.560  6.7638  ?       ?       0.000000       6.763796 
1 1 1 -21 39  7  o 19.785  9.1903  79.407     106.110  27.168     116.834  325.407    253.536  18.232  8.7964  22.703  11.328  -4.471416      14.34250 
1 1 1 -21 39  8  o 19.611  8.2173  73.625     65.768   55.961     99.002   87.578     87.990   18.851  8.7964  20.247  8.9841  -1.396564      12.57341 
1 1 1 -21 39  9  o 37.380  9.0125  277.379    80.789   215.096    107.598  357.870    122.318  26.660  10.766  34.292  11.962  -7.632315      16.09315 
1 1 1 -21 39  10 o 20.958  8.6758  93.425     72.045   89.270     95.679   98.866     109.486  20.274  9.1527  20.567  9.4761  -0.2924232     13.17459 
1 1 1 -21 39  11 o 22.043  8.9247  109.642    74.148   75.254     95.841   160.911    117.025  19.582  8.9643  22.911  10.250  -3.329479      13.61731 
1 1 1 -21 39  12 o 17.300  8.2521  17.817     96.343   49.017     177.799  4.8484     114.630  19.335  9.6217  17.480  8.5004  1.855368       12.83873 
1 1 1 -21 39  13 o 15.335  7.5257  -46.1506   96.067   -13.2158   188.227  -57.7515   111.712  18.424  9.2709  15.817  7.8285  2.606953       12.13404 
1 1 1 -21 39  14 o 17.843  8.4733  39.748     99.315   89.775     186.262  19.876     117.395  19.553  9.7489  17.640  8.5837  1.913157       12.98929 
1 1 1 -21 39  15 o 21.172  10.523  242.780    210.166  242.780    210.166  0.0000     0.0000   21.172  10.523  ?       ?       0.000000       10.52349 
1 1 1 -21 39  16 o 17.219  8.2588  35.048     99.407   60.153     189.426  25.506     116.780  18.478  9.2983  17.273  8.4391  1.204702       12.55697 
1 1 1 -21 40  1  o 20.787  9.5176  112.749    108.092  53.809     114.221  618.162    334.474  18.693  8.9355  23.234  11.765  -4.541227      14.77384 
1 1 1 -21 40  2  o 14.776  7.2389  -49.0347   87.695   -71.3550   91.034   238.620    326.806  14.418  7.1234  ?       ?       0.000000       7.123440 
1 1 1 -21 40  3  o 29.358  11.125  266.936    108.925  277.175    114.830  175.000    344.092  29.086  11.318  ?       ?       0.000000       11.31798 
1 1 1 -21 40  4  o 24.532  10.450  191.877    109.285  208.570    114.459  19.650     367.646  24.996  10.672  ?       ?       0.000000       10.67218 
1 1 1 -21 40  5  o 17.214  8.1872  21.340     93.425   -2.1982    97.318   298.021    333.653  16.595  8.0121  ?       ?       0.000000       8.012105 
1 1 1 -21 40  6  o 11.433  5.6251  -67.6859   54.767   -83.9768   80.903   -53.9054   74.408   13.430  6.6499  13.741  6.7184  -0.3109245     9.452991 
1 1 1 -21 40  7  o 18.810  8.0821  65.281     66.399   122.284    100.782  21.560     88.264   21.453  9.5613  17.079  8.0741  4.373594       12.51440 
1 1 1 -21 40  8  o 15.108  6.9106  12.444     56.803   -137.0255  89.560   113.035    73.471   12.943  6.4976  22.091  8.9049  -9.148089      11.02347 
1 1 1 -21 40  9  o 14.433  6.7357  -1.3435    58.070   -126.2895  91.150   84.012     75.337   13.236  6.6322  19.889  8.5778  -6.653685      10.84276 
1 1 1 -21 40  10 o 18.735  8.6437  65.171     91.538   61.220     206.223  66.140     102.153  19.257  9.6919  18.839  8.8375  0.4174480      13.11619 
1 1 1 -21 40  11 o 16.778  8.0876  10.216     98.204   57.444     193.829  -6.0937    113.906  18.991  9.5374  16.825  8.2443  2.166500       12.60680 
1 1 1 -21 40  12 o 15.629  7.6423  -23.5130   96.360   93.605     191.920  -62.9885   111.422  19.220  9.6295  15.378  7.6467  3.841447       12.29633 
1 1 1 -21 40  13 o 16.676  8.0506  17.634     98.222   137.052    183.866  -30.0529   116.190  19.545  9.7356  16.046  7.9496  3.498960       12.56890 
1 1 1 -21 40  14 o 18.837  8.8472  90.112     102.893  8.4238     194.355  121.923    121.284  17.623  8.9287  19.604  9.3253  -1.980766      12.91053 
1 1 1 -21 41  1  o 17.499  8.3101  34.647     95.543   63.843     99.814   -284.7532  330.143  18.609  8.7315  ?       ?       0.000000       8.731495 
1 1 1 -21 41  2  o 16.573  7.9853  5.9865     95.481   15.483     99.787   -96.9917   328.592  17.001  8.1845  ?       ?       0.000000       8.184451 
1 1 1 -21 41  3  o 11.037  5.4980  -94.2184   58.710   -142.6844  86.497   -52.8168   79.945   12.515  6.2959  14.051  6.8897  -1.536222      9.333076 
1 1 1 -21 41  4  o 22.906  8.7919  121.414    68.585   193.263    101.566  61.190     92.987   24.932  10.309  18.497  8.5957  6.434626       13.42267 
1 1 1 -21 41  5  o 12.447  6.0913  -56.1847   61.595   -50.5838   90.987   -60.9231   83.688   14.789  7.2714  14.079  6.9321  0.7102518      10.04622 
1 1 1 -21 41  6  o 12.151  5.9377  -53.5810   57.892   -103.1164  90.333   -19.0561   75.414   13.530  6.7528  14.778  7.1147  -1.248363      9.809171 
1 1 1 -21 41  7  o 16.209  7.3582  29.661     62.863   77.343     101.276  -0.2252    80.179   19.023  8.8834  15.663  7.4868  3.359996       11.61751 
1 1 1 -21 41  8  o 16.874  7.9482  29.893     84.121   179.353    249.623  10.745     89.347   19.917  10.094  16.352  7.8393  3.564985       12.78022 
1 1 1 -21 41  9  o 17.094  8.0378  37.432     85.347   147.262    271.513  25.390     89.905   ?       ?       16.763  7.9892  0.000000       7.989216 
1 1 1 -21 41  10 f 16.050  7.6594  14.854     83.199   140.107    255.515  -0.0008    87.994   ?       ?       15.733  7.6016  0.000000       7.601580 
1 1 1 -21 41  11 o 14.910  7.2513  -15.8446   83.457   -59.5443   241.688  -9.9284    88.927   ?       ?       15.324  7.4598  0.000000       7.459770 
1 1 1 -21 41  12 o 20.165  9.2840  135.800    104.827  110.920    194.777  145.945    124.377  18.354  9.2604  19.837  9.4383  -1.482782      13.22255 
1 1 1 -21 42  1  o 23.896  9.0534  140.669    72.134   198.831    95.006   61.504     110.840  25.574  10.189  18.356  8.7820  7.218264       13.45143 
1 1 1 -21 42  2  o 13.545  6.4961  -22.4484   61.483   -62.3740   78.675   40.186     98.542   13.562  6.6861  17.513  8.3514  -3.950845      10.69817 
1 1 1 -21 42  3  o 15.209  7.0378  14.760     61.349   35.898     78.902   -17.5576   97.561   16.900  7.8750  15.753  7.7002  1.147009       11.01399 
1 1 1 -21 42  4  o 15.013  6.9884  10.951     61.874   -27.1703   88.428   47.516     86.605   15.048  7.3502  17.496  8.1851  -2.448619      11.00097 
1 1 1 -21 42  5  o 16.598  7.9004  25.325     87.332   107.652    241.463  12.935     93.674   18.956  9.6387  16.375  7.8944  2.581882       12.45896 
1 1 1 -21 42  6  o 13.113  6.5038  -74.8238   78.607   -159.8866  235.531  -64.1616   83.388   ?       ?       13.693  6.7750  0.000000       6.774999 
1 1 1 -21 42  7  o 21.890  9.5933  155.265    97.449   604.617    261.674  82.911     105.002  23.100  11.523  18.549  8.7802  4.550951       14.48723 
1 1 1 -21 42  8  o 12.923  6.4162  -73.0943   77.269   222.493    268.892  -99.7000   80.672   ?       ?       12.568  6.2890  0.000000       6.289022 
1 1 1 -21 42  9  o 14.924  7.2008  -0.8555    78.315   2.6759     252.816  -1.2304    82.367   ?       ?       15.079  7.3028  0.000000       7.302777 
1 1 1 -21 42  10 o 16.996  8.0565  56.600     89.017   350.700    285.553  24.944     93.686   ?       ?       16.022  7.7666  0.000000       7.766550 
1 1 1 -21 43  1  o 10.879  5.4309  -92.8684   58.568   0.0080     77.451   -216.9016  89.504   15.177  7.2822  ?       ?       0.000000       7.282158 
1 1 1 -21 43  2  o 15.997  7.3593  31.598     65.692   -28.1298   84.748   121.507    103.978  14.605  7.1468  19.933  9.2019  -5.328186      11.65126 
1 1 1 -21 43  3  o 17.641  8.3096  61.110     91.955   165.425    171.298  18.881     108.990  19.500  9.6590  16.590  8.1154  2.909840       12.61569 
1 1 1 -21 43  4  o 16.702  8.0068  36.947     93.189   223.362    184.013  -27.3534   108.072  20.018  9.9323  15.422  7.6448  4.596518       12.53374 
1 1 1 -21 43  5  o 12.558  6.2599  -82.4749   76.626   73.454     236.385  -100.7835  81.000   ?       ?       12.472  6.2498  0.000000       6.249776 
1 1 1 -21 43  6  o 16.536  7.7356  46.238     77.335   -269.0362  244.840  81.178     81.508   ?       ?       18.112  8.2824  0.000000       8.282417 
1 1 1 -21 43  7  o 19.269  8.6935  112.577    86.157   -142.7449  272.960  140.829    90.798   ?       ?       20.438  9.0947  0.000000       9.094678 
1 1 1 -21 43  8  o 15.275  7.4366  14.358     88.414   216.183    253.359  -13.6283   94.345   ?       ?       14.719  7.2684  0.000000       7.268413 
1 1 1 -21 44  1  o 15.215  7.4244  -0.6283    89.592   -183.9610  174.107  65.401     104.488  ?       ?       17.360  8.3617  0.000000       8.361749 
1 1 1 -21 44  2  o 19.791  9.0338  132.066    96.407   313.474    177.637  56.324     114.782  20.957  10.275  17.014  8.3242  3.942436       13.22340 
1 1 1 -21 44  3  o 21.461  9.5828  180.850    101.748  224.033    197.348  165.215    118.747  18.799  9.4641  19.776  9.3539  -0.9768391     13.30659 
1 1 1 -21 44  4  o 14.520  7.1347  -11.4444   87.176   53.942     165.765  -36.4420   102.494  16.771  8.4712  14.485  7.2238  2.285261       11.13302 
1 1 1 -21 44  5  o 18.165  8.5384  108.845    96.164   209.835    182.138  69.813     113.232  18.306  9.1999  16.769  8.2178  1.536673       12.33576 
1 1 1 -21 45  1  o 14.030  6.9363  -21.2052   86.830   -110.2309  162.135  14.596     102.817  ?       ?       15.288  7.5564  0.000000       7.556425 
1 1 1 -21 45  2  o 14.453  7.1314  -3.1272    90.162   119.951    178.568  -45.2419   104.455  16.864  8.5456  14.017  7.0342  2.847382       11.06835 
1 1 1 -21 45  3  f 14.022  6.8805  -2.5960    80.185   -106.8066  167.559  28.358     91.321   ?       ?       15.119  7.4029  0.000000       7.402891 
1 1 1 -20 -49 30 o 11.686  5.7748  -39.1599   59.929   66.687     156.933  -57.2307   64.843   15.523  7.8808  11.538  5.7526  3.984727       9.757042 
1 1 1 -20 -49 31 o 11.783  5.8148  -36.9776   60.022   71.365     147.874  -58.3486   65.676   15.655  7.9165  11.593  5.7814  4.062671       9.802830 
1 1 1 -20 -49 32 f 14.116  6.5388  29.009     53.163   4.1840     116.693  35.511     59.721   14.617  7.3482  14.581  6.8133  0.3624916E-01  10.02088 
1 1 1 -20 -49 33 o 12.271  5.8340  -1.4248    47.344   -33.6910   114.484  5.2318     51.999   14.029  7.0804  12.879  6.1202  1.149888       9.358920 
1 1 1 -20 -49 34 o 12.646  5.9504  6.3444     46.914   61.675     113.337  -5.0966    51.537   15.665  7.7764  12.394  5.9452  3.270924       9.788644 
1 1 1 -20 -49 35 o 10.886  5.3230  -32.6987   46.746   -44.4126   115.798  -30.4181   51.095   13.922  7.0371  11.362  5.5576  2.560873       8.967030 
1 1 1 -20 -49 36 o 13.476  6.2660  19.094     49.534   115.750    117.359  -1.8560    54.639   16.760  8.2438  12.722  6.1072  4.038555       10.25957 
1 1 1 -20 -49 37 o 12.864  6.0746  7.5715     49.710   181.516    116.963  -30.7746   54.916   18.381  8.8520  11.643  5.7090  6.738622       10.53337 
1 1 1 -20 -49 38 o 14.296  6.5747  32.590     52.370   48.737     118.167  28.644     58.421   15.366  7.6775  14.218  6.6741  1.148110       10.17290 
1 1 1 -20 -48 24 o 16.659  7.1409  64.374     51.618   -192.7687  202.106  82.318     53.388   ?       ?       18.033  7.4669  0.000000       7.466942 
1 1 1 -20 -48 25 o 19.199  7.8639  99.797     58.381   258.127    128.329  58.476     65.558   20.510  9.7082  16.071  7.3780  4.439445       12.19357 
1 1 1 -20 -48 26 o 13.729  6.3934  17.239     51.880   -51.5816   108.579  37.599     59.058   13.962  7.0276  15.039  6.9401  -1.077673      9.876821 
1 1 1 -20 -48 27 o 12.033  5.8193  -20.0915   51.872   48.333     112.082  -38.7417   58.515   15.951  7.8853  11.894  5.8446  4.056786       9.815197 
1 1 1 -20 -48 28 o 24.107  8.1079  140.956    56.070   49.933     124.884  163.936    62.750   16.113  8.0257  25.081  8.5766  -8.967430      11.74605 
1 1 1 -20 -48 29 o 13.446  6.2657  11.459     49.957   23.805     116.426  8.6728     55.307   15.639  7.7827  13.598  6.4170  2.041075       10.08705 
1 1 1 -20 -48 30 o 16.557  7.5502  61.078     67.143   344.114    155.152  -4.1424    74.478   21.631  10.360  14.030  6.8294  7.600890       12.40816 
1 1 1 -20 -48 31 o 18.009  8.0073  87.583     70.246   150.924    160.130  72.489     78.169   17.745  8.8765  17.017  7.8988  0.7280197      11.88206 
1 1 1 -20 -48 32 o 15.464  7.1389  39.451     62.589   -141.8898  167.897  68.718     67.451   ?       ?       17.039  7.6893  0.000000       7.689327 
1 1 1 -20 -48 33 o 17.636  7.3546  70.101     52.321   -97.4779   161.951  89.630     55.285   ?       ?       19.150  7.7228  0.000000       7.722820 
1 1 1 -20 -48 34 o 19.350  7.6357  89.243     52.882   -68.8469   121.477  126.208    58.740   14.369  7.2572  22.255  8.2232  -7.886634      10.96758 
1 1 1 -20 -48 35 o 13.305  6.1942  8.9156     48.636   -117.0341  111.996  38.188     53.992   13.390  6.7833  15.271  6.8864  -1.880619      9.666172 
1 1 1 -20 -48 36 o 11.093  5.4161  -37.4119   47.863   -111.2891  114.501  -21.7695   52.687   13.556  6.8663  12.154  5.8748  1.401372       9.036545 
1 1 1 -20 -48 37 o 16.898  7.1850  61.054     51.493   -125.6857  121.365  102.049    56.865   13.603  6.9084  20.113  7.9238  -6.509672      10.51253 
1 1 1 -20 -48 38 o 14.335  6.5557  25.021     51.084   179.461    120.694  -8.6839    56.384   19.430  9.2591  12.942  6.2105  6.488158       11.14902 
1 1 1 -20 -48 39 o 31.311  7.9958  210.803    60.960   330.993    131.769  178.074    68.761   23.626  10.697  25.309  8.9574  -1.682774      13.95181 
1 1 1 -20 -48 40 o 21.325  7.9979  114.689    55.975   -7.7748    129.866  142.631    62.033   15.290  7.6947  23.108  8.4647  -7.818663      11.43942 
1 1 1 -20 -48 41 o 16.888  7.1504  62.516     50.641   -59.3343   128.570  84.892     55.095   14.496  7.3352  18.527  7.6199  -4.031883      10.57678 
1 1 1 -20 -48 42 o 11.296  5.5127  -33.4211   49.422   90.019     115.740  -60.9478   54.655   16.856  8.2701  10.888  5.4041  5.968360       9.879219 
1 1 1 -20 -48 43 o 14.819  6.7080  36.073     51.799   74.835     118.078  26.835     57.641   16.390  8.1007  14.436  6.7283  1.953642       10.53048 
1 1 1 -20 -48 44 o 14.552  7.0227  20.854     74.576   -108.3540  163.600  54.746     83.788   ?       ?       15.821  7.5865  0.000000       7.586519 
1 1 1 -20 -47 20 o 13.301  6.2086  10.810     49.381   -3.6017    128.778  13.294     53.468   15.197  7.6498  13.649  6.3999  1.547517       9.973911 
1 1 1 -20 -47 21 o 16.711  7.5902  64.432     67.000   4.1598     124.081  89.238     79.602   15.412  7.7250  17.680  8.1215  -2.267837      11.20866 
1 1 1 -20 -47 22 o 15.394  7.2646  34.065     70.870   23.864     207.694  35.410     75.395   ?       ?       15.531  7.3773  0.000000       7.377271 
1 1 1 -20 -47 23 o 16.854  7.7313  63.249     71.792   209.935    208.561  43.532     76.465   18.125  9.1896  15.976  7.5411  2.148671       11.88766 
1 1 1 -20 -47 24 o 14.574  7.1445  -8.8290    85.829   -53.3467   201.490  1.0396     94.867   ?       ?       15.114  7.4297  0.000000       7.429705 
1 1 1 -20 -47 25 o 13.714  6.3904  9.4190     51.960   -69.7480   204.347  14.891     53.726   ?       ?       14.108  6.5486  0.000000       6.548589 
1 1 1 -20 -47 26 f 16.925  7.2728  57.485     53.776   58.490     124.492  57.254     59.626   16.990  8.3826  16.850  7.4399  0.1407223      11.20807 
1 1 1 -20 -47 27 o 24.026  8.0992  131.885    55.952   279.604    119.643  90.535     63.301   24.488  10.683  19.154  8.0457  5.333908       13.37422 
1 1 1 -20 -47 28 f 18.037  7.4555  69.658     53.089   301.348    113.346  4.5473     60.087   26.846  10.972  14.058  6.6506  12.78818       12.83037 
1 1 1 -20 -47 29 o 15.701  6.9144  39.633     51.163   105.003    111.748  22.296     57.549   18.419  8.8135  14.831  6.8465  3.587316       11.16032 
1 1 1 -20 -47 30 o 20.156  7.6792  90.391     52.081   107.571    117.380  86.180     58.115   18.448  8.8802  19.263  7.8629  -0.8150597     11.86104 
1 1 1 -20 -47 31 o 16.698  7.5005  51.985     63.327   -65.4809   154.843  75.579     69.396   15.722  7.9659  18.058  7.9973  -2.336070      11.28766 
1 1 1 -20 -47 32 o 11.948  5.9148  -64.8223   63.871   -20.0037   147.066  -75.2411   70.907   16.172  8.1452  12.244  6.0902  3.927953       10.17033 
1 1 1 -20 -47 33 o 13.868  6.7115  -15.7382   69.279   -173.6275  155.597  23.302     77.372   ?       ?       15.638  7.4414  0.000000       7.441383 
1 1 1 -20 -47 34 o 10.154  5.1388  -141.8713  63.224   -169.1861  157.564  -136.6294  69.024   ?       ?       10.789  5.4514  0.000000       5.451368 
1 1 1 -20 -47 35 o 12.636  5.9784  -9.3494    48.570   -37.4814   114.820  -3.2184    53.602   15.217  7.5980  13.348  6.3047  1.869308       9.873119 
1 1 1 -20 -47 36 o 13.005  6.1344  -5.1018    50.431   104.351    116.836  -30.1641   55.908   18.438  8.8716  12.379  6.0006  6.058710       10.71039 
1 1 1 -20 -47 37 o 14.547  6.6353  21.119     51.891   42.455     113.912  15.532     58.290   16.830  8.2465  14.556  6.7781  2.273907       10.67457 
1 1 1 -20 -47 38 o 16.864  7.2226  54.439     52.721   56.312     119.424  53.986     58.756   17.165  8.4172  16.807  7.4051  0.3576832      11.21092 
1 1 1 -20 -47 39 o 23.380  8.2305  128.215    57.978   225.070    133.148  105.554    64.404   21.324  10.031  20.390  8.2951  0.9331436      13.01618 
1 1 1 -20 -47 40 o 21.954  8.0712  113.235    56.473   75.331     123.681  123.218    63.476   17.514  8.5838  21.982  8.4531  -4.468077      12.04724 
1 1 1 -20 -47 41 o 18.629  7.5186  76.228     52.445   82.964     126.676  74.835     57.614   17.610  8.6422  18.245  7.6705  -0.6354237     11.55527 
1 1 1 -20 -47 42 o 17.288  7.3286  61.831     53.300   116.658    122.627  49.060     59.183   18.363  8.8974  16.334  7.3001  2.028299       11.50889 
1 1 1 -20 -47 43 o 12.719  6.0159  -5.8777    49.104   -116.8849  113.418  19.731     54.475   13.671  6.9149  14.416  6.6571  -0.7453070     9.598567 
1 1 1 -20 -47 44 o 15.038  6.7753  32.646     52.124   61.308     124.289  26.529     57.418   16.857  8.3275  14.847  6.8483  2.010105       10.78183 
1 1 1 -20 -47 45 o 15.882  7.4922  41.726     75.257   259.462    167.141  -13.6402   84.284   19.657  9.7009  14.306  7.0266  5.350824       11.97836 
1 1 1 -20 -47 46 o 15.498  7.3278  36.118     72.755   -93.3986   183.589  60.248     79.243   ?       ?       16.539  7.7664  0.000000       7.766421 
1 1 1 -20 -47 47 o 14.381  6.9732  6.8364     75.657   -195.9426  194.015  43.202     82.161   ?       ?       15.750  7.5418  0.000000       7.541824 
1 1 1 -20 -46 17 o 20.510  7.9140  103.735    55.782   0.0000     0.0000   103.735    55.782   ?       ?       20.510  7.9140  0.000000       7.914022 
1 1 1 -20 -46 18 o 11.511  5.5491  -25.2503   46.248   5.3406     132.928  -29.4633   49.330   15.935  7.9882  11.644  5.6421  4.291066       9.779778 
1 1 1 -20 -46 19 o 17.591  7.3388  65.137     52.128   187.271    137.448  44.619     56.336   19.740  9.5283  16.020  7.1435  3.720903       11.90877 
1 1 1 -20 -46 20 o 49.950  5.7083  403.810    67.941   581.969    156.857  362.667    75.379   32.826  13.088  44.178  7.2860  -11.35231      14.97923 
1 1 1 -20 -46 21 f 13.279  6.0459  10.039     42.837   -42.0285   118.867  17.810     45.923   15.268  7.6391  14.023  6.3350  1.244418       9.924086 
1 1 1 -20 -46 22 o 12.840  5.9442  1.2346     43.834   120.016    118.823  -17.4761   47.160   19.025  9.0997  12.149  5.7891  6.876406       10.78508 
1 1 1 -20 -46 23 o 23.898  9.4794  169.885    81.898   272.097    132.109  106.085    104.374  23.666  10.713  18.988  8.9155  4.678087       13.93743 
1 1 1 -20 -46 24 o 19.586  8.8491  108.508    89.645   -128.4242  207.990  162.564    99.347   ?       ?       21.748  9.6032  0.000000       9.603178 
1 1 1 -20 -46 25 o 18.897  8.6453  92.100     88.940   -142.3278  204.865  146.546    98.730   ?       ?       21.079  9.4240  0.000000       9.424015 
1 1 1 -20 -46 26 o 19.082  8.9236  101.741    102.787  98.723     204.338  102.763    118.928  18.391  9.3001  18.874  9.0472  -0.4828835     12.97478 
1 1 1 -20 -46 27 o 12.995  6.2347  -20.9476   56.755   113.105    200.447  -32.6311   59.176   18.609  9.3893  12.745  6.1766  5.864002       11.23870 
1 1 1 -20 -46 28 o 22.319  7.8447  106.077    52.655   182.221    118.609  87.387     58.763   21.657  9.9356  19.830  7.9743  1.827093       12.73993 
1 1 1 -20 -46 29 o 13.457  6.1902  5.2401     46.464   191.320    105.473  -39.5670   51.757   23.068  10.048  11.797  5.7310  11.27108       11.56777 
1 1 1 -20 -46 30 o 17.503  7.2310  57.057     49.904   24.909     114.157  64.653     55.487   16.942  8.2916  18.063  7.5567  -1.120752      11.21850 
1 1 1 -20 -46 31 o 12.233  5.8079  -17.3939   46.619   55.814     114.912  -31.8165   51.005   17.740  8.6000  12.038  5.8092  5.701534       10.37815 
1 1 1 -20 -46 32 f 12.447  6.0876  -47.5609   61.246   -181.3010  108.191  15.508     74.297   13.018  6.6021  15.613  7.3891  -2.595343      9.908932 
1 1 1 -20 -46 33 o 16.468  7.6528  35.670     73.709   -76.7176   160.340  65.785     82.999   16.230  8.2104  17.965  8.2674  -1.734896      11.65163 
1 1 1 -20 -46 34 o 19.098  8.4980  87.356     79.271   133.052    179.189  76.237     88.391   19.137  9.5449  18.418  8.4960  0.7195568      12.77838 
1 1 1 -20 -46 35 o 11.794  5.8800  -91.5564   67.717   -100.3526  151.996  -89.3781   75.639   15.765  7.9772  12.500  6.2290  3.265083       10.12109 
1 1 1 -20 -46 36 o 21.281  7.9786  99.103     55.695   -35.8056   120.475  135.773    62.810   15.851  7.8932  24.169  8.5603  -8.317698      11.64393 
1 1 1 -20 -46 37 o 15.575  6.8760  32.652     50.909   -52.9113   125.911  49.373     55.661   15.704  7.8578  16.898  7.3301  -1.194275      10.74598 
1 1 1 -20 -46 38 o 22.165  8.1523  109.943    57.621   224.896    131.275  82.511     64.129   22.579  10.393  19.222  8.0873  3.357162       13.16905 
1 1 1 -20 -46 39 o 17.647  7.3879  59.236     53.090   -65.2538   113.602  94.022     60.051   15.053  7.5220  20.371  8.1055  -5.318072      11.05801 
1 1 1 -20 -46 40 o 14.840  6.7251  21.285     52.224   -57.4421   117.438  40.692     58.307   15.309  7.6496  16.306  7.2697  -0.9973173     10.55295 
1 1 1 -20 -46 41 o 17.565  7.4110  58.944     54.095   -79.1637   119.509  94.531     60.665   14.987  7.5215  20.305  8.1246  -5.318352      11.07164 
1 1 1 -20 -46 42 o 13.099  6.1436  -4.6510    49.326   -145.7096  113.384  28.276     54.781   13.696  6.9263  15.353  6.9289  -1.657152      9.797158 
1 1 1 -20 -46 43 o 24.997  8.0108  133.172    55.002   151.794    127.141  128.884    61.007   20.040  9.5371  23.457  8.4227  -3.416424      12.72392 
1 1 1 -20 -46 44 o 15.994  7.0706  39.743     54.015   16.632     123.643  45.195     60.048   16.662  8.2450  16.467  7.3568  0.1948528      11.05003 
1 1 1 -20 -46 45 o 15.070  6.9138  23.998     57.430   164.682    194.245  10.522     60.118   18.846  9.4751  14.501  6.7952  4.345279       11.65987 
1 1 1 -20 -46 46 o 29.312  10.783  291.002    100.822  199.401    205.298  320.116    115.741  18.948  9.5533  28.010  11.217  -9.062305      14.73380 
1 1 1 -20 -46 47 o 15.259  7.2475  19.220     72.744   -151.7609  196.996  46.215     78.276   ?       ?       16.485  7.7342  0.000000       7.734169 
1 1 1 -20 -46 48 o 15.888  7.1409  42.541     57.493   186.467    186.589  27.443     60.433   18.566  9.3283  15.103  6.9874  3.463052       11.65513 
1 1 1 -20 -46 49 o 18.388  7.6531  79.169     56.495   -20.0420   134.058  100.593    62.297   15.534  7.8176  19.728  8.1069  -4.194339      11.26217 
1 1 1 -20 -45 14 o 14.932  6.6358  32.134     48.185   0.0000     0.0000   32.134     48.185   ?       ?       14.932  6.6358  0.000000       6.635835 
1 1 1 -20 -45 15 o 18.508  7.4412  73.599     51.160   0.0000     0.0000   73.599     51.160   ?       ?       18.508  7.4412  0.000000       7.441240 
1 1 1 -20 -45 16 o 11.903  5.6587  -16.6371   44.538   0.0000     0.0000   -16.6371   44.538   ?       ?       11.903  5.6587  0.000000       5.658669 
1 1 1 -20 -45 17 o 14.076  6.4253  14.129     48.785   -31.7053   128.499  21.848     52.733   15.884  7.9465  14.782  6.7217  1.101295       10.40811 
1 1 1 -20 -45 18 o 13.918  6.3802  10.497     48.777   -88.5712   129.648  26.832     52.645   15.157  7.6357  15.171  6.8246  -0.1429653E-01 10.24110 
1 1 1 -20 -45 19 o 21.931  7.7191  100.407    50.996   105.933    130.917  99.419     55.369   18.985  9.1976  21.315  7.9623  -2.329649      12.16530 
1 1 1 -20 -45 20 o 8.6003  4.3186  -89.4472   39.675   117.629    104.978  -123.9539  42.853   19.923  9.2146  8.2234  4.1691  11.70005       10.11385 
1 1 1 -20 -45 21 o 13.367  6.1107  5.5032     44.329   32.165     112.856  0.6394     48.203   17.269  8.4061  13.411  6.2173  3.857629       10.45550 
1 1 1 -20 -45 22 o 15.162  6.7557  25.564     50.276   11.953     114.881  28.788     55.915   16.871  8.2698  15.641  7.0349  1.230261       10.85722 
1 1 1 -20 -45 23 f 13.976  6.4006  8.3611     48.923   -22.6174   118.917  14.672     53.675   16.269  8.0567  14.689  6.7186  1.579766       10.49045 
1 1 1 -20 -45 24 o 27.621  9.9496  208.242    85.194   316.756    129.686  125.863    112.996  27.527  11.537  20.317  9.4527  7.210356       14.91497 
1 1 1 -20 -45 25 o 15.076  7.4447  -45.9128   98.974   151.264    195.356  -114.0007  114.798  19.721  9.8560  14.509  7.2932  5.211734       12.26097 
1 1 1 -20 -45 26 o 14.241  7.0773  -74.6440   94.881   95.047     205.355  -120.7017  106.986  19.008  9.5799  14.027  7.0497  4.980512       11.89421 
1 1 1 -20 -45 27 o 16.098  7.5854  19.060     76.750   482.241    223.583  -42.8101   81.715   24.116  11.759  14.261  6.9868  9.855411       13.67841 
1 1 1 -20 -45 28 o 17.818  7.3705  57.868     51.944   81.480     200.167  56.163     53.787   18.883  9.5097  17.664  7.4180  1.218895       12.06071 
1 1 1 -20 -45 29 o 76.771  4.6907  853.047    86.958   788.300    165.789  877.621    102.135  48.724  13.538  75.254  5.6343  -26.52987      14.66346 
1 1 1 -20 -45 30 o 26.419  7.8939  138.606    54.492   106.717    122.091  146.538    60.893   19.609  9.3357  26.131  8.4347  -6.521673      12.58172 
1 1 1 -20 -45 31 o 12.296  5.8227  -17.8641   46.272   -118.4320  108.115  4.6889     51.199   14.145  7.1060  13.985  6.4566  0.1594486      9.601204 
1 1 1 -20 -45 32 o 18.719  7.4674  67.333     51.088   -183.9836  113.372  131.367    57.227   13.450  6.8148  25.039  8.1836  -11.58869      10.64951 
1 1 1 -20 -45 33 o 17.928  7.4054  58.951     52.328   -19.9545   115.214  79.458     58.735   16.317  8.0529  19.551  7.9335  -3.233547      11.30439 
1 1 1 -20 -45 34 o 17.778  8.0981  55.160     76.966   304.073    165.113  -13.9399   86.995   23.741  11.168  15.409  7.4731  8.331126       13.43791 
1 1 1 -20 -45 35 o 14.886  7.0799  -3.3384    69.857   -201.6536  164.161  40.514     77.195   ?       ?       17.082  7.9010  0.000000       7.901012 
1 1 1 -20 -45 36 o 20.679  8.7955  104.959    77.213   38.001     162.248  124.564    87.792   18.222  9.0873  21.368  9.2376  -3.146692      12.95813 
1 1 1 -20 -45 37 o 13.557  6.2940  -0.8889    49.663   89.386     107.171  -25.5761   56.044   19.249  9.0367  12.945  6.2067  6.303553       10.96289 
1 1 1 -20 -45 38 o 20.615  8.0254  90.250     57.758   131.073    121.363  78.297     65.671   20.464  9.6104  19.261  8.1481  1.203743       12.59965 
1 1 1 -20 -45 39 o 9.5952  4.7919  -86.9792   45.788   -147.6335  108.228  -73.7561   50.533   13.707  6.9139  10.601  5.2503  3.105567       8.681464 
1 1 1 -20 -45 40 o 13.630  6.3239  -0.1230    50.026   41.352     115.520  -9.6960    55.500   17.804  8.6289  13.603  6.4222  4.200944       10.75653 
1 1 1 -20 -45 41 o 23.976  8.1974  122.142    57.324   224.446    120.530  92.237     65.166   24.198  10.635  20.330  8.3156  3.867479       13.50032 
1 1 1 -20 -45 42 o 12.274  5.8188  -18.7223   46.463   91.059     121.056  -37.6879   50.316   19.162  9.1703  11.845  5.7292  7.317253       10.81289 
1 1 1 -20 -45 43 o 18.686  7.5336  67.795     52.594   -184.3610  128.158  118.862    57.675   14.147  7.1761  23.491  8.2126  -9.343827      10.90612 
1 1 1 -20 -45 44 o 15.230  6.8772  23.017     54.056   73.783     132.571  12.894     59.200   18.587  9.0616  14.937  6.9123  3.650311       11.39702 
1 1 1 -20 -45 45 o 12.104  5.8336  -32.1583   51.050   1.9795     125.716  -38.8988   55.862   16.888  8.3488  12.326  5.9803  4.561347       10.26967 
1 1 1 -20 -45 46 o 22.924  8.2538  116.909    58.623   63.447     137.552  128.774    64.802   18.191  8.9432  23.317  8.6329  -5.126217      12.43009 
1 1 1 -20 -45 47 o 15.028  7.1980  -0.7337    74.934   188.282    181.973  -39.3296   82.230   19.953  9.8962  14.201  6.9682  5.751697       12.10334 
1 1 1 -20 -45 48 o 17.617  8.0695  61.117     77.813   50.036     186.208  63.461     85.650   17.866  9.0188  17.737  8.2449  0.1287403      12.21954 
1 1 1 -20 -45 49 o 15.966  7.1412  38.337     56.760   66.385     186.250  35.465     59.595   17.846  9.0101  15.865  7.1871  1.981334       11.52545 
1 1 1 -20 -45 50 o 16.045  7.0776  42.398     53.830   15.949     124.194  48.517     59.733   16.465  8.1678  16.528  7.3640  -0.6270027E-01 10.99740 
1 1 1 -20 -44 12 o 16.558  7.4381  48.146     62.285   0.0000     0.0000   48.146     62.285   ?       ?       16.558  7.4381  0.000000       7.438098 
1 1 1 -20 -44 13 o 10.470  5.1114  -44.7240   42.596   0.0000     0.0000   -44.7240   42.596   ?       ?       10.470  5.1114  0.000000       5.111401 
1 1 1 -20 -44 14 f 18.157  7.4122  64.515     51.649   0.0000     0.0000   64.515     51.649   ?       ?       18.157  7.4122  0.000000       7.412163 
1 1 1 -20 -44 15 o 11.231  5.4213  -34.6215   44.503   0.0000     0.0000   -34.6215   44.503   ?       ?       11.231  5.4213  0.000000       5.421332 
1 1 1 -20 -44 16 o 22.170  7.7917  100.914    51.947   21.788     131.518  115.540    56.544   17.474  8.6204  23.242  8.1314  -5.767763      11.85036 
1 1 1 -20 -44 17 o 19.437  7.6729  75.455     53.419   203.431    133.686  51.138     58.274   22.458  10.391  17.339  7.5108  5.119507       12.82124 
1 1 1 -20 -44 18 o 22.248  7.9997  103.165    55.051   182.009    135.291  87.520     60.266   21.813  10.213  20.280  8.1038  1.532642       13.03726 
1 1 1 -20 -44 19 o 21.486  7.6168  91.005     49.739   -62.5348   119.265  123.332    54.725   15.747  7.8430  24.692  7.9988  -8.945411      11.20238 
1 1 1 -20 -44 20 o 18.832  7.2936  65.693     47.517   182.851    120.234  44.007     51.728   22.744  10.265  16.813  7.1763  5.930531       12.52445 
1 1 1 -20 -44 21 o 16.991  7.1545  46.342     50.255   -12.0515   117.611  59.385     55.584   16.765  8.2475  18.117  7.5699  -1.351423      11.19484 
1 1 1 -20 -44 22 f 29.652  7.8082  165.967    56.953   191.105    123.742  159.210    64.152   22.960  10.383  27.312  8.6409  -4.351822      13.50820 
1 1 1 -20 -44 23 o 26.623  8.1689  142.964    57.810   206.186    129.411  127.202    64.616   23.237  10.552  23.812  8.6518  -0.5751400     13.64562 
1 1 1 -20 -44 24 o 15.278  6.8907  20.766     54.078   73.693     117.773  6.6253     60.875   18.976  9.0713  14.908  6.9369  4.067534       11.41965 
1 1 1 -20 -44 25 f 26.096  7.9076  133.729    54.400   125.683    128.038  135.502    60.093   20.446  9.6833  25.316  8.3914  -4.870260      12.81335 
1 1 1 -20 -44 26 o 17.410  7.8367  46.916     69.549   -42.6171   204.181  58.667     73.973   17.912  9.0831  18.128  8.1273  -0.2158337     12.18831 
1 1 1 -20 -44 27 o 15.614  7.3623  7.7597     72.519   0.0000     0.0000   7.7597     72.519   ?       ?       15.614  7.3623  0.000000       7.362335 
1 1 1 -20 -44 28 o 20.286  8.5955  93.396     73.265   -31.3559   164.053  124.475    81.884   17.463  8.7708  21.976  9.1856  -4.512398      12.70043 
1 1 1 -20 -44 29 o 16.647  7.6327  32.431     69.859   48.132     158.826  28.665     77.788   18.613  9.2340  16.738  7.8060  1.875633       12.09132 
1 1 1 -20 -44 30 o 15.110  6.6887  23.326     48.495   10.272     110.561  26.436     53.964   17.098  8.3224  15.630  6.9791  1.468364       10.86141 
1 1 1 -20 -44 31 o 17.079  7.2208  47.146     51.522   112.657    113.604  30.182     57.810   20.270  9.4466  16.056  7.1924  4.214102       11.87303 
1 1 1 -20 -44 32 o 26.410  7.9316  136.916    54.910   193.654    116.592  120.745    62.245   23.508  10.391  23.428  8.4947  0.8005905E-01  13.42108 
1 1 1 -20 -44 33 o 16.803  7.1653  43.682     51.480   8.8720     112.017  53.003     57.963   17.117  8.3413  17.633  7.5633  -0.5169678     11.25968 
1 1 1 -20 -44 34 o 13.903  6.4132  2.4470     50.354   103.002    118.977  -19.4944   55.577   19.893  9.3950  13.254  6.3068  6.639117       11.31560 
1 1 1 -20 -44 35 o 17.670  8.0861  48.178     77.883   102.331    165.771  32.839     88.226   19.626  9.6810  17.246  8.1283  2.380198       12.64084 
1 1 1 -20 -44 36 o 13.861  6.7187  -35.1845   70.067   -33.2203   161.230  -35.6418   77.797   17.438  8.7492  14.391  6.9994  3.046417       11.20443 
1 1 1 -20 -44 37 o 11.876  5.9106  -95.1779   67.223   -168.3188  160.083  -79.5189   74.071   15.757  7.9955  12.878  6.3742  2.878429       10.22542 
1 1 1 -20 -44 38 o 21.677  8.0030  96.667     55.613   164.860    113.872  75.307     63.731   22.461  10.076  19.326  8.0930  3.135204       12.92359 
1 1 1 -20 -44 39 o 26.475  8.1147  140.008    57.063   297.919    119.350  93.213     64.970   29.167  11.483  20.731  8.3679  8.436293       14.20866 
1 1 1 -20 -44 40 o 14.936  6.7308  17.194     51.473   -117.3679  116.137  50.088     57.420   14.778  7.4164  17.478  7.5130  -2.699560      10.55684 
1 1 1 -20 -44 41 o 18.918  7.5491  66.850     52.228   -33.5334   126.181  87.604     57.373   16.688  8.2705  20.693  8.0144  -4.004408      11.51662 
1 1 1 -20 -44 42 o 26.859  8.1728  144.127    58.022   118.116    133.173  150.221    64.462   20.351  9.7058  26.409  8.6881  -6.058081      13.02635 
1 1 1 -20 -44 43 o 11.319  5.6185  -86.0325   59.143   98.436     121.836  -142.9030  67.648   19.864  9.4188  10.887  5.4883  8.977410       10.90116 
1 1 1 -20 -44 44 o 19.400  7.7916  73.294     56.025   162.573    131.580  53.524     61.918   21.718  10.136  17.789  7.7239  3.928818       12.74385 
1 1 1 -20 -44 45 o 19.747  7.8562  77.556     56.407   222.653    133.780  46.183     62.208   23.720  10.755  17.275  7.6150  6.444750       13.17789 
1 1 1 -20 -44 46 o 22.951  8.4338  115.207    61.651   394.530    144.764  53.324     68.139   30.277  12.390  17.784  7.8977  12.49356       14.69318 
1 1 1 -20 -44 47 o 17.635  8.0501  49.359     76.568   91.120     133.889  29.065     93.336   19.367  9.3619  17.168  8.1704  2.198948       12.42587 
1 1 1 -20 -44 48 o 20.722  8.9548  108.152    82.441   326.382    149.883  13.491     98.714   25.916  11.597  16.731  8.0757  9.184296       14.13193 
1 1 1 -20 -44 49 o 18.533  8.2447  70.293     74.568   208.536    137.272  12.424     88.814   22.317  10.395  16.280  7.8078  6.037016       13.00079 
1 1 1 -20 -44 50 o 14.410  6.5931  12.824     51.746   85.789     108.412  -8.7039    58.887   18.831  8.9162  13.814  6.5494  5.017594       11.06316 
1 1 1 -20 -44 51 o 18.137  7.5949  65.706     56.125   61.301     119.457  66.954     63.580   17.895  8.6965  18.107  7.8444  -0.2118988     11.71175 
1 1 1 -20 -44 52 o 13.851  6.4488  5.3818     52.731   107.137    110.623  -24.5367   59.984   18.985  8.9939  13.050  6.2980  5.934159       10.97981 
1 1 1 -20 -43 10 o 16.689  7.0761  47.869     49.709   0.0000     0.0000   47.869     49.709   ?       ?       16.689  7.0761  0.000000       7.076119 
1 1 1 -20 -43 11 o 23.751  9.1024  144.735    73.445   0.0000     0.0000   144.735    73.445   ?       ?       23.751  9.1024  0.000000       9.102358 
1 1 1 -20 -43 12 o 15.446  7.0774  20.438     59.921   0.0000     0.0000   20.438     59.921   ?       ?       15.446  7.0774  0.000000       7.077382 
1 1 1 -20 -43 13 o 20.765  8.5590  98.613     69.701   0.0000     0.0000   98.613     69.701   ?       ?       20.765  8.5590  0.000000       8.558980 
1 1 1 -20 -43 14 o 20.424  8.2577  88.821     63.384   127.326    142.530  79.329     70.766   20.377  9.8029  19.476  8.3553  0.9009438      12.88054 
1 1 1 -20 -43 15 o 19.331  7.4693  69.990     49.741   -16.1504   125.628  86.005     54.168   17.047  8.4123  20.760  7.8502  -3.713263      11.50620 
1 1 1 -20 -43 16 o 18.066  7.3509  56.761     50.592   -42.4404   127.284  75.374     55.134   16.643  8.2583  19.721  7.7919  -3.078064      11.35403 
1 1 1 -20 -43 17 o 23.282  8.0001  108.409    54.615   -12.5012   132.638  133.094    59.931   17.411  8.6015  25.392  8.3784  -7.981314      12.00759 
1 1 1 -20 -43 18 o 21.001  7.5893  84.187     49.622   275.269    119.753  44.577     54.523   28.230  11.373  17.130  7.3411  11.09949       13.53614 
1 1 1 -20 -43 19 o 17.281  6.9645  48.386     44.930   -60.7289   115.126  67.990     48.799   15.894  7.8810  19.257  7.4101  -3.363276      10.81757 
1 1 1 -20 -43 20 o 10.213  5.0411  -67.5209   45.197   -33.4775   106.135  -75.0618   49.952   16.099  7.9027  10.599  5.2439  5.500300       9.484264 
1 1 1 -20 -43 21 o 13.977  6.3901  4.6912     48.484   43.946     115.425  -3.7186    53.425   18.378  8.8365  13.932  6.4878  4.446292       10.96251 
1 1 1 -20 -43 22 o 16.794  7.1424  41.924     50.907   75.221     114.043  33.639     56.889   19.309  9.1431  16.400  7.2528  2.909618       11.67047 
1 1 1 -20 -43 23 o 17.542  7.4111  50.253     54.213   22.355     116.467  57.970     61.253   17.798  8.6350  18.207  7.7912  -0.4089069     11.63036 
1 1 1 -20 -43 24 o 14.433  6.4955  12.741     47.747   156.765    117.715  -15.6214   52.238   22.241  10.086  13.207  6.2339  9.034019       11.85714 
1 1 1 -20 -43 25 o 18.970  7.3594  65.439     48.440   74.130     116.565  63.624     53.256   19.280  9.1626  18.693  7.5652  0.5873928      11.88214 
1 1 1 -20 -43 26 o 22.647  7.8500  101.097    52.640   36.244     123.907  115.379    58.148   18.298  8.8841  23.631  8.2471  -5.332830      12.12199 
1 1 1 -20 -43 27 o 21.403  8.6009  101.193    68.308   146.202    118.199  78.622     83.701   21.817  9.9756  19.485  8.6967  2.332260       13.23424 
1 1 1 -20 -43 28 o 17.414  7.8122  43.602     68.464   227.959    165.852  5.7341     75.167   22.727  10.837  15.852  7.4808  6.875486       13.16820 
1 1 1 -20 -43 29 o 20.506  8.6750  92.602     74.441   150.392    158.791  76.324     84.275   21.042  10.178  19.373  8.6808  1.668449       13.37680 
1 1 1 -20 -43 30 o 18.287  8.0860  57.510     70.672   310.314    157.867  -5.8517    79.034   25.701  11.665  15.619  7.4568  10.08164       13.84445 
1 1 1 -20 -43 31 o 20.468  7.7603  81.416     53.024   33.080     110.590  95.845     60.422   18.010  8.6572  21.441  8.2467  -3.431416      11.95639 
1 1 1 -20 -43 32 o 23.534  7.9132  109.061    53.410   88.023     113.517  115.043    60.528   19.788  9.2934  23.361  8.3895  -3.572990      12.52005 
1 1 1 -20 -43 33 o 16.462  7.1213  36.768     52.247   184.319    119.460  1.8686     58.098   23.437  10.430  14.622  6.7946  8.815233       12.44818 
1 1 1 -20 -43 34 o 18.781  7.5317  64.022     52.263   -93.9318   114.329  105.749    58.762   15.226  7.5991  22.580  8.2435  -7.353471      11.21164 
1 1 1 -20 -43 35 o 18.532  7.5213  61.383     52.801   50.709     110.729  64.524     60.070   18.564  8.8526  18.747  7.8543  -0.1835022     11.83466 
1 1 1 -20 -43 36 o 14.102  6.8202  -34.8206   71.255   -63.1053   161.210  -27.9532   79.435   17.313  8.6951  14.900  7.2048  2.413113       11.29223 
1 1 1 -20 -43 37 o 14.881  7.1240  -16.9157   73.199   -63.9892   167.572  -5.8154    81.373   17.447  8.7753  15.767  7.5383  1.679773       11.56854 
1 1 1 -20 -43 38 o 12.923  6.3733  -74.6496   71.716   114.129    147.225  -133.3788  82.117   20.396  9.8490  12.444  6.2436  7.952590       11.66132 
1 1 1 -20 -43 39 o 10.769  5.2611  -53.1648   45.360   -41.1373   113.090  -55.4707   49.517   16.250  8.0120  11.224  5.4862  5.025686       9.710313 
1 1 1 -20 -43 40 o 14.860  6.6776  15.580     50.246   281.797    128.021  -32.8968   54.630   27.632  11.512  12.705  6.1013  14.92698       13.02896 
1 1 1 -20 -43 41 o 20.147  7.6239  76.843     51.115   -88.5745   125.215  109.921    55.993   15.843  7.9139  23.385  8.0967  -7.542303      11.32199 
1 1 1 -20 -43 42 o 12.666  5.9791  -18.6348   48.078   151.618    118.550  -52.1487   52.598   22.219  10.094  11.733  5.7175  10.48537       11.60040 
1 1 1 -20 -43 43 o 10.881  5.3142  -53.6284   46.182   -61.2851   122.590  -52.3620   49.855   16.276  8.0811  11.404  5.5590  4.872661       9.808507 
1 1 1 -20 -43 44 o 23.962  8.1094  114.360    56.095   79.720     134.783  121.618    61.691   19.727  9.5005  24.084  8.4887  -4.357685      12.74035 
1 1 1 -20 -43 45 o 20.407  7.9787  81.615     57.277   259.404    130.456  39.159     63.750   26.420  11.340  17.136  7.6232  9.284258       13.66388 
1 1 1 -20 -43 46 o 18.508  7.4875  60.133     52.146   47.586     114.148  63.442     58.621   18.644  8.9178  18.764  7.8015  -0.1199036     11.84865 
1 1 1 -20 -43 47 o 23.161  8.1288  108.236    56.528   68.882     112.312  121.588    65.419   19.253  9.1037  23.607  8.6858  -4.353651      12.58257 
1 1 1 -20 -43 48 o 20.687  8.9227  97.810     81.535   -4.1893    146.371  143.700    98.178   17.924  8.8872  22.669  9.7844  -4.745489      13.21802 
1 1 1 -20 -43 49 o 19.802  8.5651  82.981     75.559   115.195    139.516  69.612     89.881   20.351  9.7670  19.001  8.6921  1.350140       13.07468 
1 1 1 -20 -43 50 o 18.078  8.3751  52.005     87.255   0.0000     0.0000   52.005     87.255   ?       ?       18.078  8.3751  0.000000       8.375065 
1 1 1 -20 -43 51 o 13.955  6.4320  3.6009     50.498   -186.6376  108.874  55.744     57.000   13.259  6.7140  17.794  7.5625  -4.534806      10.11288 
1 1 1 -20 -43 52 o 21.393  8.0675  98.025     57.110   104.951    123.581  96.145     64.398   19.561  9.3349  20.681  8.3368  -1.119318      12.51568 
1 1 1 -20 -43 53 f 16.176  7.9746  -12.7045   111.937  -12.7045   111.937  0.0000     0.0000   16.176  7.9746  ?       ?       0.000000       7.974578 
1 1 1 -20 -42 8  o 20.820  8.4970  101.681    67.853   0.0000     0.0000   101.681    67.853   ?       ?       20.820  8.4970  0.000000       8.496994 
1 1 1 -20 -42 9  o 26.537  8.1298  142.421    57.284   0.0000     0.0000   142.421    57.284   ?       ?       26.537  8.1298  0.000000       8.129823 
1 1 1 -20 -42 10 o 15.569  6.8143  28.285     49.025   0.0000     0.0000   28.285     49.025   ?       ?       15.569  6.8143  0.000000       6.814268 
1 1 1 -20 -42 11 o 13.255  6.0636  0.4249     43.742   0.0000     0.0000   0.4249     43.742   ?       ?       13.255  6.0636  0.000000       6.063593 
1 1 1 -20 -42 12 o 15.078  6.9602  7.7301     59.475   0.0000     0.0000   7.7301     59.475   ?       ?       15.078  6.9602  0.000000       6.960215 
1 1 1 -20 -42 13 o 20.072  8.0889  78.840     60.604   -62.6063   137.729  112.802    67.488   16.843  8.3952  22.703  8.7195  -5.860107      12.10414 
1 1 1 -20 -42 14 o 12.867  6.1440  -28.4678   53.716   -116.6041  128.744  -9.8906    59.107   15.660  7.8521  14.233  6.6914  1.426990       10.31648 
1 1 1 -20 -42 15 o 12.241  5.9070  -40.9065   52.743   27.771     131.934  -53.9696   57.541   18.575  9.0520  12.280  5.9830  6.294625       10.85059 
1 1 1 -20 -42 16 o 11.845  5.6891  -35.5953   47.537   -210.7892  135.206  -10.8836   50.779   14.669  7.4336  13.423  6.2757  1.246115       9.728502 
1 1 1 -20 -42 17 o 10.074  4.9219  -51.1320   39.709   -9.3501    136.610  -54.9881   41.501   17.843  8.7993  10.191  4.9902  7.651849       10.11579 
1 1 1 -20 -42 18 o 19.090  7.3236  64.609     47.574   122.869    112.168  51.830     52.533   21.435  9.7687  17.833  7.3974  3.602579       12.25351 
1 1 1 -20 -42 19 o 16.313  6.9183  35.849     47.533   60.296     112.596  30.548     52.434   19.123  9.0638  16.130  7.0539  2.993069       11.48519 
1 1 1 -20 -42 20 o 12.474  5.8728  -18.1437   45.827   -3.4538    112.980  -21.0367   50.137   17.293  8.4163  12.818  6.0674  4.475144       10.37531 
1 1 1 -20 -42 21 o 22.000  7.9071  94.302     53.778   69.705     120.076  100.473    60.147   19.481  9.2702  22.141  8.2932  -2.659838      12.43842 
1 1 1 -20 -42 22 o 25.659  8.1831  129.634    57.447   36.187     120.319  157.227    65.381   18.531  8.9374  27.550  8.7240  -9.018368      12.48940 
1 1 1 -20 -42 23 o 14.343  6.3890  13.032     44.930   -144.9660  115.960  40.943     48.737   14.591  7.3339  16.812  7.0607  -2.221112      10.18038 
1 1 1 -20 -42 24 o 13.422  6.1916  -3.8528    46.939   123.658    115.229  -29.2215   51.397   21.451  9.8233  12.587  6.0103  8.863843       11.51617 
1 1 1 -20 -42 25 o 12.398  5.8504  -20.2103   45.951   20.230     111.655  -28.4564   50.419   17.951  8.6456  12.517  5.9703  5.433537       10.50669 
1 1 1 -20 -42 26 o 11.304  5.4667  -42.8558   45.760   -80.7354   103.175  -33.5802   51.056   15.100  7.4828  12.365  5.9273  2.735907       9.545894 
1 1 1 -20 -42 27 o 13.165  6.0741  -5.3203    45.207   0.7602     107.588  -6.6240    49.818   17.310  8.3737  13.573  6.3023  3.736197       10.48037 
1 1 1 -20 -42 28 o 12.696  6.1238  -40.3642   56.523   -44.9855   101.441  -38.2834   68.068   15.852  7.7703  13.869  6.6971  1.983002       10.25814 
1 1 1 -20 -42 29 o 19.406  8.2735  70.151     68.611   63.448     159.268  71.678     76.027   19.732  9.6849  19.491  8.5095  0.2406120      12.89216 
1 1 1 -20 -42 30 o 15.561  7.1432  11.767     61.433   -148.6106  143.808  47.567     67.945   15.894  8.0112  17.927  7.9274  -2.033215      11.27046 
1 1 1 -20 -42 31 o 15.630  7.2838  5.2825     67.520   -10.2079   144.496  9.6096     76.370   18.126  8.9591  16.332  7.6548  1.794300       11.78394 
1 1 1 -20 -42 32 o 15.114  6.7660  16.275     51.069   -6.3543    104.561  23.364     58.524   17.041  8.2465  16.056  7.2114  0.9849510      10.95483 
1 1 1 -20 -42 33 f 11.804  5.6797  -38.1165   47.909   -55.4357   109.271  -33.9950   53.305   16.011  7.8905  12.620  6.0516  3.390201       9.943912 
1 1 1 -20 -42 34 f 16.765  7.1210  38.919     50.485   29.856     105.827  41.590     57.443   18.164  8.6599  17.226  7.4596  0.9380245      11.42978 
1 1 1 -20 -42 35 o 13.470  6.2345  -5.8111    48.188   -156.7305  104.502  34.946     54.307   13.780  6.9307  16.616  7.2241  -2.836097      10.01114 
1 1 1 -20 -42 36 o 15.575  6.8629  23.570     50.477   70.337     104.656  9.3920     57.623   19.553  9.0973  15.166  6.9458  4.386873       11.44576 
1 1 1 -20 -42 37 o 18.268  8.1459  51.370     73.255   70.331     157.655  46.149     82.728   19.866  9.7270  18.207  8.3326  1.659033       12.80807 
1 1 1 -20 -42 38 o 20.992  8.6389  92.482     70.872   55.981     165.073  100.730    78.472   19.628  9.6781  21.328  8.9584  -1.699667      13.18783 
1 1 1 -20 -42 39 o 13.957  6.6693  -25.7213   63.508   -23.5365   171.430  -26.0688   68.372   18.418  9.2090  14.348  6.8730  4.070206       11.49104 
1 1 1 -20 -42 40 f 26.813  8.1243  138.295    57.424   364.833    131.636  85.054     63.816   32.920  12.281  20.627  8.3047  12.29320       14.82532 
1 1 1 -20 -42 41 o 16.223  7.0346  31.810     51.224   -18.3757   124.446  42.047     56.207   17.404  8.5460  17.202  7.4139  0.2019253      11.31371 
1 1 1 -20 -42 42 o 23.476  8.2006  109.775    57.499   284.455    135.850  71.653     63.464   27.578  11.696  19.555  8.1228  8.023016       14.23995 
1 1 1 -20 -42 43 o 14.798  6.6842  11.450     51.108   -17.9298   121.313  17.790     56.353   17.336  8.4974  15.578  7.0294  1.757044       11.02807 
1 1 1 -20 -42 44 o 14.143  6.6819  -15.2712   60.281   12.093     103.632  -29.2650   74.108   17.560  8.4250  14.688  7.0666  2.872490       10.99623 
1 1 1 -20 -42 45 o 14.835  6.6917  11.787     51.024   115.973    107.048  -18.8408   58.041   21.498  9.6953  13.791  6.5280  7.706723       11.68821 
1 1 1 -20 -42 46 o 16.929  7.3047  38.240     54.690   55.932     110.176  32.455     63.000   19.193  9.0575  16.893  7.5420  2.300587       11.78643 
1 1 1 -20 -42 47 o 15.693  7.0117  20.723     54.562   -77.0685   111.238  51.704     62.610   15.699  7.7778  18.146  7.8230  -2.447102      11.03142 
1 1 1 -20 -42 48 o 14.058  6.4960  -2.5635    52.004   -74.6021   108.842  18.747     59.198   15.614  7.7280  15.852  7.1738  -0.2374735     10.54446 
1 1 1 -20 -42 49 o 17.522  7.9108  38.540     71.496   137.541    132.175  -2.4090    85.006   21.764  10.158  16.311  7.7722  5.452784       12.79061 
1 1 1 -20 -42 50 o 17.850  8.2764  37.872     85.469   0.0000     0.0000   37.872     85.469   ?       ?       17.850  8.2764  0.000000       8.276417 
1 1 1 -20 -42 51 o 13.324  6.2938  -17.3550   53.439   -153.8422  128.800  11.026     58.733   15.050  7.5855  15.242  6.9922  -0.1917515     10.31649 
1 1 1 -20 -42 52 o ?       ?       -244.3610  97.139   -244.3610  97.139   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 -42 53 o 21.031  9.9789  145.448    137.208  145.448    137.208  0.0000     0.0000   21.031  9.9789  ?       ?       0.000000       9.978930 
1 1 1 -20 -42 54 o 16.909  7.9661  30.220     84.574   551.857    207.923  -73.1958   92.579   27.229  12.720  14.230  7.0577  12.99944       14.54677 
1 1 1 -20 -41 6  o 17.318  7.9828  42.113     77.819   0.0000     0.0000   42.113     77.819   ?       ?       17.318  7.9828  0.000000       7.982847 
1 1 1 -20 -41 7  o 20.174  9.0965  95.809     94.176   0.0000     0.0000   95.809     94.176   ?       ?       20.174  9.0965  0.000000       9.096497 
1 1 1 -20 -41 8  o 17.842  7.3354  52.896     51.034   0.0000     0.0000   52.896     51.034   ?       ?       17.842  7.3354  0.000000       7.335370 
1 1 1 -20 -41 9  o 18.393  7.4503  57.738     51.698   0.0000     0.0000   57.738     51.698   ?       ?       18.393  7.4503  0.000000       7.450324 
1 1 1 -20 -41 10 o 18.950  7.5323  62.767     51.810   0.0000     0.0000   62.767     51.810   ?       ?       18.950  7.5323  0.000000       7.532332 
1 1 1 -20 -41 11 o 28.694  7.8941  150.975    56.683   0.0000     0.0000   150.975    56.683   ?       ?       28.694  7.8941  0.000000       7.894058 
1 1 1 -20 -41 12 o 11.783  5.5596  -22.1996   41.479   138.167    108.304  -49.7649   44.902   22.684  10.021  10.951  5.3242  11.73298       11.34755 
1 1 1 -20 -41 13 o 39.187  6.2043  239.030    57.028   11.041     135.008  288.544    62.917   18.549  9.0649  43.096  6.1949  -24.54715      10.97949 
1 1 1 -20 -41 14 o 13.288  6.2868  -21.3455   53.699   -290.1180  128.656  35.354     59.092   ?       ?       16.955  7.4495  0.000000       7.449502 
1 1 1 -20 -41 15 o 24.042  8.7635  122.234    66.372   126.587    139.746  120.966    75.422   21.501  10.163  23.182  9.1280  -1.681171      13.66029 
1 1 1 -20 -41 16 f 11.204  5.5002  -66.0154   51.448   31.463     122.678  -86.8185   56.673   18.722  9.0281  11.189  5.5446  7.533245       10.59481 
1 1 1 -20 -41 17 o 13.698  6.1984  3.6826     44.175   -13.5697   133.502  5.8038     46.812   17.917  8.8088  14.105  6.3817  3.811646       10.87752 
1 1 1 -20 -41 18 o 14.510  6.3889  15.414     43.669   127.902    108.424  -6.3668    47.710   22.132  9.8866  13.436  6.2135  8.695440       11.67704 
1 1 1 -20 -41 19 o 16.359  7.0151  33.226     49.845   -113.3525  113.822  68.007     55.445   15.174  7.5743  19.477  7.7762  -4.303476      10.85538 
1 1 1 -20 -41 20 o 20.864  7.8115  81.170     53.351   40.224     114.188  92.605     60.343   18.855  8.9911  21.654  8.2621  -2.799025      12.21071 
1 1 1 -20 -41 21 o 30.980  7.3136  164.354    54.095   286.446    117.828  131.748    60.891   30.681  11.584  25.766  8.4425  4.915649       14.33379 
1 1 1 -20 -41 22 o 22.547  7.7517  94.457     51.279   48.339     119.806  104.801    56.739   19.261  9.1916  23.238  8.1445  -3.976814      12.28084 
1 1 1 -20 -41 23 o 14.791  6.5483  15.158     46.490   -43.1830   113.178  27.001     50.991   16.672  8.1792  16.001  6.9778  0.6708202      10.75119 
1 1 1 -20 -41 24 o 12.711  5.9075  -12.2433   43.938   -177.3179  107.346  20.978     48.157   13.781  6.9434  15.374  6.7406  -1.592791      9.677108 
1 1 1 -20 -41 25 o 11.610  5.5396  -31.5946   43.484   -58.5137   101.422  -25.5319   48.132   15.768  7.7373  12.516  5.9302  3.252607       9.748535 
1 1 1 -20 -41 26 o 10.618  5.1642  -49.8991   42.356   -113.9656  103.119  -36.8965   46.456   14.662  7.3010  11.768  5.6446  2.893595       9.228563 
1 1 1 -20 -41 27 o 11.678  5.5830  -33.6963   44.626   -119.0703  97.429   -11.0290   50.202   14.194  7.0726  13.532  6.2975  0.6616058      9.469986 
1 1 1 -20 -41 28 o 22.513  7.7279  92.671     50.954   143.147    113.758  80.002     56.991   23.111  10.237  20.789  8.0055  2.322453       12.99548 
1 1 1 -20 -41 29 o 17.715  7.7565  41.308     63.574   99.430     108.630  11.032     78.403   21.270  9.6624  16.795  7.8341  4.474920       12.43925 
1 1 1 -20 -41 30 o 17.284  7.7759  30.899     68.366   3.2561     143.456  39.022     77.764   18.852  9.2408  18.096  8.2029  0.7561207      12.35637 
1 1 1 -20 -41 31 o 17.682  7.8224  39.066     66.222   8.1629     146.583  46.990     74.229   19.028  9.3298  18.420  8.2079  0.6083355      12.42637 
1 1 1 -20 -41 32 o 18.161  7.9908  45.691     68.201   91.721     148.146  33.312     76.826   20.965  10.062  17.775  8.0944  3.189528       12.91392 
1 1 1 -20 -41 33 f 23.289  7.8967  100.691    53.191   16.536     110.036  126.352    60.762   18.288  8.7495  25.431  8.4384  -7.143078      12.15570 
1 1 1 -20 -41 34 o 19.084  7.4952  61.435     50.731   192.001    105.926  22.575     57.789   26.297  10.660  16.202  7.2293  10.09474       12.88016 
1 1 1 -20 -41 35 o 16.010  7.0132  25.247     52.031   13.429     111.248  28.556     58.866   18.206  8.7335  16.644  7.3686  1.562029       11.42674 
1 1 1 -20 -41 36 o 14.590  6.5357  10.134     47.732   -58.1077   120.629  22.802     51.973   16.759  8.2653  15.817  6.9670  0.9419117      10.80990 
1 1 1 -20 -41 37 o 10.700  5.2033  -50.0559   42.959   -52.9074   116.523  -49.6074   46.214   16.673  8.2035  11.183  5.4287  5.490078       9.837071 
1 1 1 -20 -41 38 o 11.389  5.6449  -90.4830   58.826   9.4773     165.559  -104.9264  62.932   19.271  9.5368  11.467  5.7091  7.804164       11.11510 
1 1 1 -20 -41 39 o 20.623  8.6043  83.321     71.659   119.589    166.909  75.125     79.344   21.384  10.366  20.018  8.7177  1.365530       13.54446 
1 1 1 -20 -41 40 o 30.864  9.9076  215.046    84.105   284.637    198.623  199.842    92.839   24.372  11.686  28.081  10.345  -3.708378      15.60666 
1 1 1 -20 -41 41 o 25.408  8.1996  124.049    57.548   252.716    130.928  93.239     64.069   27.175  11.501  21.623  8.4429  5.552132       14.26746 
1 1 1 -20 -41 42 o 14.544  6.5628  8.3454     49.122   19.973     97.431   4.3824     56.880   17.831  8.4454  14.963  6.8706  2.867461       10.88714 
1 1 1 -20 -41 43 o 21.722  7.8165  87.995     52.567   46.845     106.052  101.398    60.526   19.002  8.9426  22.593  8.3474  -3.590694      12.23313 
1 1 1 -20 -41 44 o 20.398  8.3453  79.512     65.653   56.146     110.029  92.431     81.813   19.403  9.1243  21.022  9.0003  -1.619492      12.81633 
1 1 1 -20 -41 45 o 15.075  6.7143  15.473     49.613   73.497     99.831   -3.5584    57.173   19.977  9.1466  14.562  6.7580  5.414796       11.37236 
1 1 1 -20 -41 46 o 15.013  6.7505  12.263     51.438   210.929    105.824  -49.1943   58.858   27.324  10.795  12.720  6.1636  14.60338       12.43093 
1 1 1 -20 -41 47 o 14.023  6.4230  -0.5756    49.294   31.950     102.901  -10.2626   56.157   18.486  8.7326  14.149  6.6100  4.336385       10.95219 
1 1 1 -20 -41 48 o 26.693  8.1218  133.677    57.301   75.630     116.128  152.358    65.880   20.263  9.4788  27.560  8.7604  -7.297247      12.90708 
1 1 1 -20 -41 49 o 22.226  8.1731  95.212     57.912   96.890     121.801  94.722     65.828   21.001  9.7853  21.749  8.5392  -0.7487259     12.98731 
1 1 1 -20 -41 50 o 18.424  9.1330  -25.0311   154.222  -25.0311   154.222  0.0000     0.0000   18.424  9.1330  ?       ?       0.000000       9.132980 
1 1 1 -20 -41 51 o 16.857  8.4447  -104.2720  147.395  -104.2720  147.395  0.0000     0.0000   16.857  8.4447  ?       ?       0.000000       8.444711 
1 1 1 -20 -41 52 o 17.462  8.5647  -20.8600   123.823  -20.8600   123.823  0.0000     0.0000   17.462  8.5647  ?       ?       0.000000       8.564707 
1 1 1 -20 -41 53 o 22.101  8.2217  98.242     58.914   295.757    133.543  50.511     65.648   28.382  11.786  18.036  7.8900  10.34604       14.18279 
1 1 1 -20 -41 54 o 18.991  7.6801  65.873     54.839   93.451     132.235  60.144     60.265   20.049  9.5922  18.489  7.8127  1.560490       12.37126 
1 1 1 -20 -41 55 o 18.910  8.7282  69.121     93.492   -145.2840  213.629  119.913    103.978  ?       ?       20.996  9.5042  0.000000       9.504169 
1 1 1 -20 -40 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -40 5  o 22.697  7.6299  97.197     49.653   0.0000     0.0000   97.197     49.653   ?       ?       22.697  7.6299  0.000000       7.629873 
1 1 1 -20 -40 6  o 19.559  8.0269  70.819     60.973   0.0000     0.0000   70.819     60.973   ?       ?       19.559  8.0269  0.000000       8.026897 
1 1 1 -20 -40 7  o 17.219  8.0261  20.716     82.061   0.0000     0.0000   20.716     82.061   ?       ?       17.219  8.0261  0.000000       8.026150 
1 1 1 -20 -40 8  o 19.012  8.5752  55.911     83.768   0.0000     0.0000   55.911     83.768   ?       ?       19.012  8.5752  0.000000       8.575181 
1 1 1 -20 -40 9  o 12.949  6.0366  -13.8888   46.440   0.0000     0.0000   -13.8888   46.440   ?       ?       12.949  6.0366  0.000000       6.036576 
1 1 1 -20 -40 10 o 12.014  5.7001  -27.5200   44.756   0.0000     0.0000   -27.5200   44.756   ?       ?       12.014  5.7001  0.000000       5.700112 
1 1 1 -20 -40 11 f 11.657  5.4910  -22.2936   40.162   -113.5835  105.489  -6.8181    43.433   14.856  7.3958  13.024  5.9887  1.832682       9.516397 
1 1 1 -20 -40 12 o 14.963  6.5145  19.082     44.287   139.699    120.423  0.2175     47.624   22.735  10.265  13.927  6.3541  8.807599       12.07286 
1 1 1 -20 -40 13 o 19.733  7.3350  67.146     46.875   -116.8430  118.632  101.186    51.027   15.518  7.7439  23.523  7.7295  -8.005758      10.94131 
1 1 1 -20 -40 14 o 22.082  7.7796  89.813     51.810   204.656    122.237  64.663     57.203   25.643  10.990  19.335  7.8352  6.307241       13.49744 
1 1 1 -20 -40 15 o 23.282  8.7009  111.265    66.132   253.261    139.205  69.876     75.155   26.737  11.595  19.762  8.5451  6.974613       14.40366 
1 1 1 -20 -40 16 o 9.3549  4.7133  -123.9786  49.482   -204.3343  123.788  -108.6970  53.982   14.443  7.2981  10.323  5.1624  4.119839       8.939392 
1 1 1 -20 -40 17 o 17.764  7.6882  43.341     60.955   -45.2708   144.619  62.483     67.217   17.932  8.8810  19.255  8.1986  -1.323656      12.08675 
1 1 1 -20 -40 18 o 17.367  7.2118  42.973     50.010   138.246    139.418  28.904     53.575   22.408  10.450  16.405  7.1534  6.002312       12.66408 
1 1 1 -20 -40 19 o 13.195  6.1047  -9.7235    46.130   297.149    104.601  -83.8169   51.398   34.880  11.033  10.709  5.3020  24.17168       12.24127 
1 1 1 -20 -40 20 o 19.391  7.4731  63.368     49.692   -23.2961   114.170  83.623     55.195   17.455  8.4871  21.362  7.9557  -3.906834      11.63286 
1 1 1 -20 -40 21 o 22.749  7.7240  93.132     50.891   86.951     120.537  94.473     56.140   21.021  9.7744  22.513  8.0802  -1.492823      12.68185 
1 1 1 -20 -40 22 o 32.861  7.1678  177.792    55.543   215.827    123.694  168.186    62.162   26.749  11.242  30.423  8.2243  -3.673815      13.92916 
1 1 1 -20 -40 23 o 33.792  7.1233  186.561    56.566   221.527    118.989  176.352    64.295   27.589  11.255  31.073  8.3492  -3.484470      14.01373 
1 1 1 -20 -40 24 f 12.564  5.8800  -19.0894   44.768   64.453     103.520  -38.3077   49.651   20.211  9.2760  12.235  5.8597  7.976569       10.97177 
1 1 1 -20 -40 25 f 27.666  7.7115  133.321    53.705   196.209    109.034  113.176    61.709   27.090  10.873  24.306  8.4952  2.784655       13.79854 
1 1 1 -20 -40 26 o 13.172  6.0405  -7.3216    43.780   -17.5077   97.084   -4.7214    49.051   17.061  8.1772  13.949  6.3958  3.111402       10.38136 
1 1 1 -20 -40 27 o 16.050  6.8530  26.802     47.203   -0.4116    99.264   34.754     53.659   17.756  8.4432  17.097  7.3036  0.6585369      11.16375 
1 1 1 -20 -40 28 o 16.989  6.9896  37.816     46.376   -119.0479  98.479   82.516     52.570   14.545  7.2250  21.645  7.8131  -7.100513      10.64166 
1 1 1 -20 -40 29 o 22.823  7.8890  92.977     53.146   100.240    112.712  90.901     60.266   21.985  9.9288  22.206  8.3046  -0.2204685     12.94401 
1 1 1 -20 -40 30 o 23.837  8.6613  109.670    64.760   36.114     108.851  149.970    80.571   19.423  9.1151  26.339  9.6471  -6.915689      13.27224 
1 1 1 -20 -40 31 o 27.507  9.6494  161.738    79.652   171.101    155.968  158.434    92.644   24.020  11.152  26.009  10.153  -1.988710      15.08205 
1 1 1 -20 -40 32 o 21.816  8.7457  90.210     70.442   -39.3030   147.269  128.632    80.213   18.651  9.1858  24.532  9.4833  -5.880449      13.20271 
1 1 1 -20 -40 33 o 15.283  7.1217  -7.9635    64.534   96.489     132.199  -40.6415   73.943   21.794  10.168  14.733  7.0813  7.061007       12.39101 
1 1 1 -20 -40 34 o 16.179  6.9652  26.440     49.495   124.918    106.488  -0.6973    55.901   23.173  10.095  14.888  6.8267  8.285413       12.18680 
1 1 1 -20 -40 35 o 20.506  7.6166  71.990     50.524   131.951    117.993  58.527     55.909   23.206  10.344  19.143  7.7500  4.062637       12.92513 
1 1 1 -20 -40 36 o 11.508  5.5374  -42.4259   45.543   -136.2735  113.716  -24.4974   49.703   15.168  7.5714  12.913  6.0908  2.254536       9.717147 
1 1 1 -20 -40 37 o 19.062  7.5491  58.690     51.862   102.661    126.477  49.802     56.863   21.810  10.097  18.362  7.6631  3.447264       12.67528 
1 1 1 -20 -40 38 o 23.038  8.0556  97.842     55.491   197.618    132.346  76.560     61.124   25.427  11.161  20.648  8.1896  4.778316       13.84309 
1 1 1 -20 -40 39 o 16.054  7.4099  5.7770     67.382   204.968    161.108  -36.4532   74.181   24.442  11.343  14.791  7.1046  9.651641       13.38469 
1 1 1 -20 -40 40 o 23.120  9.1203  112.392    75.424   -31.0707   174.430  145.384    83.648   19.173  9.5392  25.248  9.7050  -6.074564      13.60816 
1 1 1 -20 -40 41 o 12.266  6.0479  -84.6290   64.441   164.102    177.923  -122.1826  69.134   22.824  10.973  11.791  5.8883  11.03300       12.45346 
1 1 1 -20 -40 42 o 19.084  7.5829  60.369     52.490   47.357     105.600  64.638     60.493   19.347  9.0467  19.489  7.9962  -0.1418686     12.07405 
1 1 1 -20 -40 43 o 17.423  7.2306  42.983     50.221   3.4608     108.030  53.880     56.723   17.938  8.6053  18.536  7.6877  -0.5976486     11.53912 
1 1 1 -20 -40 44 o 16.291  7.0393  28.987     50.933   16.570     101.346  33.183     58.913   18.098  8.5839  17.038  7.4633  1.059500       11.37474 
1 1 1 -20 -40 45 f 12.671  6.0019  -26.2868   49.227   156.898    105.020  -77.8700   55.729   24.404  10.313  11.447  5.6400  12.95732       11.75436 
1 1 1 -20 -40 46 o 23.722  8.4152  109.747    60.722   259.875    206.900  95.597     63.519   24.160  11.669  22.120  8.4679  2.039379       14.41747 
1 1 1 -20 -40 47 o 13.249  6.2767  -25.6292   53.877   -54.0632   116.331  -17.8648   60.790   16.793  8.2494  14.310  6.7454  2.482474       10.65610 
1 1 1 -20 -40 48 o 13.102  6.2205  -28.0061   53.473   -52.7473   114.638  -21.1261   60.453   16.764  8.2260  14.141  6.6841  2.623381       10.59922 
1 1 1 -20 -40 49 o 25.036  11.163  200.296    137.559  200.296    137.559  0.0000     0.0000   25.036  11.163  ?       ?       0.000000       11.16337 
1 1 1 -20 -40 50 o 19.140  9.4268  -6.1458    155.154  -6.1458    155.154  0.0000     0.0000   19.140  9.4268  ?       ?       0.000000       9.426834 
1 1 1 -20 -40 51 o 22.084  10.730  133.737    181.572  133.737    181.572  0.0000     0.0000   22.084  10.730  ?       ?       0.000000       10.72979 
1 1 1 -20 -40 52 o 13.895  6.7378  -51.0389   70.669   -21.3370   154.933  -58.8417   79.410   18.724  9.2589  14.386  7.0134  4.338012       11.61532 
1 1 1 -20 -40 53 f 20.486  7.9792  77.051     57.118   150.094    131.659  60.117     63.395   22.848  10.477  19.009  8.0216  3.838840       13.19504 
1 1 1 -20 -40 54 o 13.114  6.1620  -17.4056   50.021   -63.6229   127.904  -9.0606    54.349   16.819  8.3339  13.996  6.5264  2.823417       10.58527 
1 1 1 -20 -40 55 o 17.455  8.1505  26.953     85.229   -266.7497  210.166  84.762     93.241   ?       ?       20.183  9.0805  0.000000       9.080529 
1 1 1 -20 -40 56 o 16.210  7.8056  -8.2142    90.871   198.585    210.109  -55.7967   100.785  21.426  10.628  15.406  7.5897  6.020459       13.05982 
1 1 1 -20 -39 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -39 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -39 4  o 14.559  6.3770  16.075     43.011   0.0000     0.0000   16.075     43.011   ?       ?       14.559  6.3770  0.000000       6.377022 
1 1 1 -20 -39 5  o ?       ?       -533.5780  14.419   0.0000     0.0000   -533.5780  14.419   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 -39 6  o 14.604  6.4207  14.063     43.961   0.0000     0.0000   14.063     43.961   ?       ?       14.604  6.4207  0.000000       6.420676 
1 1 1 -20 -39 7  o 18.972  8.6147  47.830     86.228   0.0000     0.0000   47.830     86.228   ?       ?       18.972  8.6147  0.000000       8.614746 
1 1 1 -20 -39 8  o 13.210  6.4331  -61.1782   66.290   0.0000     0.0000   -61.1782   66.290   ?       ?       13.210  6.4331  0.000000       6.433139 
1 1 1 -20 -39 9  o 18.133  8.1714  37.494     75.868   270.122    257.326  15.348     79.397   23.659  11.740  17.208  7.9780  6.450914       14.19408 
1 1 1 -20 -39 10 o 12.742  5.8635  -8.8524    41.738   78.424     185.044  -13.5308   42.842   21.101  10.374  12.592  5.8459  8.509120       11.90757 
1 1 1 -20 -39 11 o 16.608  6.7018  37.769     41.662   10.282     110.709  42.304     44.967   18.302  8.7615  17.205  6.9556  1.097383       11.18679 
1 1 1 -20 -39 12 o 11.302  5.3760  -29.9490   40.301   0.2608     115.555  -34.1325   43.002   18.183  8.7669  11.486  5.4883  6.697150       10.34315 
1 1 1 -20 -39 13 o 18.866  7.2810  57.864     47.222   7.6550     121.870  66.734     51.223   18.607  8.9789  19.770  7.5957  -1.163193      11.76077 
1 1 1 -20 -39 14 o 17.239  7.0147  41.981     46.071   94.649     121.728  33.175     49.773   21.362  9.8948  16.626  7.0665  4.735388       12.15905 
1 1 1 -20 -39 15 o 21.103  7.1637  75.466     43.775   -15.1162   114.755  90.892     47.356   17.816  8.6259  22.838  7.4434  -5.022974      11.39343 
1 1 1 -20 -39 16 o 16.654  7.2494  29.029     54.815   -65.9146   131.197  49.108     60.334   17.374  8.5779  18.398  7.7980  -1.024130      11.59270 
1 1 1 -20 -39 17 o 19.429  8.0035  61.431     60.900   40.998     138.438  66.334     67.814   20.104  9.6692  19.881  8.3380  0.2233295      12.76779 
1 1 1 -20 -39 18 o 18.674  7.7839  52.039     58.571   -119.7422  139.981  88.498     64.488   16.888  8.4253  21.789  8.4808  -4.900921      11.95451 
1 1 1 -20 -39 19 o 41.064  8.9598  308.396    86.765   350.759    167.993  292.985    101.325  30.224  12.917  36.336  10.743  -6.112190      16.80079 
1 1 1 -20 -39 20 o 27.156  7.6248  126.157    52.304   157.122    120.452  118.962    58.064   24.645  10.737  25.544  8.2354  -0.8992519     13.53134 
1 1 1 -20 -39 21 o 13.015  6.0163  -12.9484   44.665   76.141     106.762  -31.8493   49.175   21.169  9.6019  12.577  5.9693  8.592029       11.30618 
1 1 1 -20 -39 22 o 15.658  6.7680  20.410     47.111   -14.5587   107.742  28.676     52.384   17.967  8.6123  16.712  7.1796  1.255096       11.21246 
1 1 1 -20 -39 23 o 14.551  6.4341  8.8164     44.748   -226.3994  103.100  63.409     49.670   13.145  6.6436  19.861  7.5155  -6.716538      10.03097 
1 1 1 -20 -39 24 o 30.451  7.4641  152.530    54.722   197.320    112.615  138.685    62.611   27.868  11.096  27.611  8.5061  0.2574749      13.98153 
1 1 1 -20 -39 25 o 13.808  6.3018  -5.9312    46.895   -174.8144  144.051  14.088     49.596   16.585  8.3143  15.467  6.8095  1.118305       10.74693 
1 1 1 -20 -39 26 o 30.466  7.5283  152.773    55.329   128.749    111.163  160.685    63.793   24.066  10.399  30.132  8.4067  -6.066402      13.37217 
1 1 1 -20 -39 27 o 19.227  7.3633  56.604     48.039   148.740    100.260  29.148     54.731   25.658  10.381  17.033  7.3286  8.625109       12.70760 
1 1 1 -20 -39 28 o 18.656  7.3850  50.613     49.613   49.979     105.870  50.792     56.162   20.431  9.3783  18.881  7.7208  1.550705       12.14762 
1 1 1 -20 -39 29 o 13.988  6.3797  -5.6499    47.960   -57.1880   101.311  9.2356     54.447   16.574  8.0439  15.626  6.9914  0.9479380      10.65759 
1 1 1 -20 -39 30 o 14.098  6.3919  -2.6301    47.242   73.845     100.364  -24.3973   53.545   21.403  9.5400  13.598  6.3851  7.804464       11.47959 
1 1 1 -20 -39 31 o 30.935  8.8464  174.748    69.742   66.672     113.203  240.864    88.541   21.284  9.7432  34.841  9.9691  -13.55692      13.93960 
1 1 1 -20 -39 32 o 25.156  9.3200  124.741    75.554   239.676    151.845  86.922     87.102   27.874  12.099  21.989  9.3470  5.885349       15.28916 
1 1 1 -20 -39 33 o 18.169  7.9990  33.908     68.434   70.403     143.657  23.195     77.833   21.818  10.310  18.071  8.1976  3.746824       13.17203 
1 1 1 -20 -39 34 f 62.831  7.5921  636.130    113.397  1236.53    202.583  362.168    136.845  78.238  10.973  36.428  12.655  41.80966       16.75010 
1 1 1 -20 -39 35 o 19.318  7.5584  57.488     51.429   102.521    112.312  45.539     57.851   22.681  10.102  18.436  7.7146  4.245111       12.71096 
1 1 1 -20 -39 36 o 16.550  7.0550  28.130     49.877   17.175     119.794  30.427     54.858   19.525  9.2819  17.066  7.3399  2.459530       11.83329 
1 1 1 -20 -39 37 o 18.341  7.4062  48.209     50.919   21.276     116.727  54.538     56.587   19.492  9.2356  19.078  7.7698  0.4141426      12.06923 
1 1 1 -20 -39 38 o 17.134  7.1120  36.589     48.604   27.589     99.708   39.394     55.665   19.054  8.8699  17.739  7.5029  1.314734       11.61764 
1 1 1 -20 -39 39 o 22.425  8.5186  92.920     63.971   63.351     103.147  111.402    81.548   20.550  9.3661  23.355  9.3932  -2.805574      13.26484 
1 1 1 -20 -39 40 o 44.106  9.0412  354.337    93.507   619.239    198.072  278.368    106.071  39.265  14.972  34.278  11.138  4.987396       18.66068 
1 1 1 -20 -39 41 o 14.205  6.7906  -36.3761   65.991   -183.0523  179.551  -13.4687   70.957   17.622  8.8909  15.591  7.3303  2.031093       11.52309 
1 1 1 -20 -39 42 o 17.778  7.6826  38.946     60.680   48.649     104.568  34.020     74.508   19.758  9.1586  18.095  8.1313  1.663013       12.24741 
1 1 1 -20 -39 43 o 20.385  7.7558  71.295     53.079   177.142    105.674  35.579     61.384   26.213  10.640  17.541  7.6524  8.672750       13.10602 
1 1 1 -20 -39 44 o 17.509  7.4216  39.897     54.653   -18.1692   110.656  58.632     62.854   17.666  8.5326  19.230  8.0437  -1.564209      11.72631 
1 1 1 -20 -39 45 o 18.315  7.5698  49.821     54.723   -44.9412   116.532  76.630     61.983   17.218  8.4162  20.694  8.2346  -3.475882      11.77457 
1 1 1 -20 -39 46 o 18.089  7.6162  46.382     56.940   77.536     203.236  43.728     59.316   21.416  10.593  17.970  7.6778  3.446251       13.08263 
1 1 1 -20 -39 47 o 10.124  5.0263  -86.5018   47.396   11.281     111.022  -108.2940  52.412   18.498  8.8331  10.200  5.0988  8.298024       10.19908 
1 1 1 -20 -39 48 o 22.670  10.329  125.025    125.283  125.025    125.283  0.0000     0.0000   22.670  10.329  ?       ?       0.000000       10.32858 
1 1 1 -20 -39 49 f 17.696  8.6073  -27.9452   117.685  -27.9452   117.685  0.0000     0.0000   17.696  8.6073  ?       ?       0.000000       8.607349 
1 1 1 -20 -39 50 o 19.015  8.4004  50.287     76.110   -61.9397   160.343  82.926     86.472   18.558  9.2187  21.068  9.1378  -2.510223      12.98009 
1 1 1 -20 -39 51 o 20.381  8.7792  71.889     78.724   -40.7911   162.893  106.228    89.923   18.997  9.4115  22.449  9.5178  -3.451838      13.38524 
1 1 1 -20 -39 52 o 14.125  6.7443  -33.6225   64.698   -14.5778   156.071  -37.5744   71.094   19.258  9.4790  14.558  6.9829  4.699779       11.77339 
1 1 1 -20 -39 53 o 17.231  7.3009  38.010     52.857   201.634    127.676  4.1663     58.067   25.906  11.170  15.287  6.9906  10.61894       13.17685 
1 1 1 -20 -39 54 o 18.750  7.5359  56.423     52.448   71.329     129.518  53.500     57.362   20.571  9.7415  18.574  7.7193  1.997293       12.42917 
1 1 1 -20 -39 55 o 17.166  7.3057  39.107     53.330   -154.4181  129.800  78.411     58.496   15.521  7.7959  20.632  8.0641  -5.110598      11.21637 
1 1 1 -20 -39 56 o 20.073  9.1339  77.202     97.591   -293.5094  218.872  169.194    109.030  ?       ?       24.351  10.407  0.000000       10.40689 
1 1 1 -20 -39 57 o 15.142  7.3552  -37.0009   85.182   45.588     214.704  -52.4292   92.798   19.732  9.9257  15.172  7.4358  4.560336       12.40207 
1 1 1 -20 -38 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -38 2  o 20.883  7.4591  76.898     47.786   0.0000     0.0000   76.898     47.786   ?       ?       20.883  7.4591  0.000000       7.459079 
1 1 1 -20 -38 3  o 17.980  7.0302  49.767     44.469   0.0000     0.0000   49.767     44.469   ?       ?       17.980  7.0302  0.000000       7.030231 
1 1 1 -20 -38 4  o 20.567  7.4431  72.270     47.755   0.0000     0.0000   72.270     47.755   ?       ?       20.567  7.4431  0.000000       7.443106 
1 1 1 -20 -38 5  o 25.889  7.5062  115.257    49.898   0.0000     0.0000   115.257    49.898   ?       ?       25.889  7.5062  0.000000       7.506243 
1 1 1 -20 -38 6  o 17.755  7.0937  45.839     46.173   0.0000     0.0000   45.839     46.173   ?       ?       17.755  7.0937  0.000000       7.093684 
1 1 1 -20 -38 7  o 18.422  7.2603  52.101     47.755   0.0000     0.0000   52.101     47.755   ?       ?       18.422  7.2603  0.000000       7.260334 
1 1 1 -20 -38 8  o 19.836  8.3922  65.083     69.676   100.322    125.109  49.239     83.890   21.842  10.087  19.180  8.6227  2.662220       13.27025 
1 1 1 -20 -38 9  o 12.275  5.9378  -51.0835   54.078   -280.6778  204.886  -33.8914   56.066   ?       ?       13.223  6.3041  0.000000       6.304054 
1 1 1 -20 -38 10 f 22.952  8.9805  105.951    72.604   330.719    191.045  68.008     78.494   27.370  12.576  20.123  8.7169  7.246796       15.30170 
1 1 1 -20 -38 11 o 12.831  5.8769  -7.6676    41.270   5.1670     228.127  -8.1019    41.962   20.783  10.425  12.893  5.9131  7.889945       11.98523 
1 1 1 -20 -38 12 o 23.439  7.4284  94.324     47.395   1.4067     120.727  111.253    51.533   18.685  8.9969  25.198  7.7095  -6.513077      11.84820 
1 1 1 -20 -38 13 o 37.613  6.3277  215.860    55.699   211.564    129.389  216.838    61.710   26.769  11.386  36.614  7.2027  -9.845510      13.47275 
1 1 1 -20 -38 14 o 19.447  7.0919  60.606     43.474   -3.2690    116.623  70.915     46.852   18.536  8.9048  20.615  7.3834  -2.079405      11.56762 
1 1 1 -20 -38 15 o 11.855  5.5179  -17.7996   38.568   46.882     101.305  -28.7640   41.709   19.818  9.1252  11.692  5.5343  8.125697       10.67232 
1 1 1 -20 -38 16 o 14.202  6.2712  7.8980     42.367   -33.6770   98.288   17.386     46.954   16.892  8.1299  15.410  6.7086  1.481768       10.54045 
1 1 1 -20 -38 17 o 19.622  8.2916  57.113     67.878   43.813     138.354  61.329     77.897   20.812  9.9167  20.145  8.7051  0.6676979      13.19544 
1 1 1 -20 -38 18 o 34.916  9.3316  228.536    80.571   299.905    156.996  203.018    93.877   30.205  12.678  30.354  10.485  -0.1498947     16.45235 
1 1 1 -20 -38 19 o 26.986  9.3459  142.602    74.606   302.656    142.617  82.301     87.539   32.025  12.570  21.771  9.3151  10.25340       15.64563 
1 1 1 -20 -38 20 o 29.787  9.6785  175.549    80.088   412.251    159.506  95.760     92.608   36.735  13.555  22.696  9.6425  14.03868       16.63498 
1 1 1 -20 -38 21 o 19.243  7.3499  55.489     47.787   -11.9230   109.526  71.339     53.109   18.552  8.8352  20.973  7.8053  -2.420729      11.78912 
1 1 1 -20 -38 22 o 12.322  5.8108  -29.4134   45.200   60.704     98.597   -53.3918   50.859   21.036  9.4103  12.004  5.7946  9.031884       11.05131 
1 1 1 -20 -38 23 o 15.967  6.7866  22.266     45.914   132.546    98.777   -8.1269    51.856   25.210  10.266  14.410  6.5956  10.80018       12.20238 
1 1 1 -20 -38 24 o 37.751  6.5503  213.341    57.824   226.736    113.884  208.688    67.120   30.928  11.446  35.721  7.9489  -4.792379      13.93510 
1 1 1 -20 -38 25 o 21.961  7.6410  78.138     49.897   32.230     104.291  91.766     56.823   20.119  9.2620  23.284  8.1511  -3.164852      12.33796 
1 1 1 -20 -38 26 o 27.852  7.7583  127.594    54.376   277.942    107.305  75.646     63.075   36.148  11.136  21.568  8.3893  14.58033       13.94218 
1 1 1 -20 -38 27 o 32.188  7.2096  161.942    54.909   216.356    109.664  143.735    63.434   30.789  11.258  28.799  8.4960  1.989185       14.10422 
1 1 1 -20 -38 28 o 50.776  5.4105  360.809    65.632   410.878    122.012  340.422    77.856   45.156  11.192  47.347  6.9869  -2.191357      13.19401 
1 1 1 -20 -38 29 o 58.712  5.0673  473.987    71.482   577.472    130.403  429.536    85.466   56.767  9.8230  53.618  6.7168  3.149109       11.89984 
1 1 1 -20 -38 30 o 52.021  5.3088  376.750    66.071   416.974    125.373  361.283    77.743   44.980  11.456  49.190  6.6870  -4.209625      13.26484 
1 1 1 -20 -38 31 o 32.911  6.9381  166.154    53.658   295.672    112.919  128.379    60.983   36.879  11.434  27.270  8.3938  9.609154       14.18390 
1 1 1 -20 -38 32 o 32.266  9.0136  185.586    73.288   100.355    114.788  244.239    95.223   23.429  10.335  34.993  10.430  -11.56384      14.68357 
1 1 1 -20 -38 33 o 23.939  9.0120  103.173    71.198   -108.5562  139.262  178.099    82.844   17.923  8.8471  30.213  9.8449  -12.28938      13.23605 
1 1 1 -20 -38 34 o 21.213  8.7072  70.972     71.763   -8.9855    147.517  95.760     82.137   20.400  9.8529  23.093  9.3779  -2.692402      13.60238 
1 1 1 -20 -38 35 o 15.339  7.0820  -10.4143   61.615   -39.5060   142.565  -3.7321    68.326   19.450  9.4632  16.300  7.5011  3.150042       12.07554 
1 1 1 -20 -38 36 o ?       ?       -157.2854  36.800   -235.2762  95.785   -143.7801  39.859   12.591  6.3670  ?       ?       0.000000       6.367035 
1 1 1 -20 -38 37 o 20.452  7.5715  66.104     49.845   -112.8381  98.228   128.161    57.846   15.084  7.4427  27.330  8.1258  -12.24584      11.01919 
1 1 1 -20 -38 38 o 31.633  7.4296  161.114    56.054   174.833    107.695  156.016    65.647   27.359  10.865  29.607  8.6170  -2.247902      13.86693 
1 1 1 -20 -38 39 o 25.855  7.9120  114.264    54.273   95.590     108.319  120.523    62.712   22.653  10.014  25.803  8.5733  -3.150265      13.18235 
1 1 1 -20 -38 40 o 20.854  8.7705  70.400     75.367   32.004     188.212  77.733     82.250   21.647  10.605  21.417  9.0928  0.2298069      13.96959 
1 1 1 -20 -38 41 o 22.353  9.0295  92.122     75.711   -63.3146   176.807  127.025    83.782   19.633  9.7405  24.822  9.6651  -5.188601      13.72193 
1 1 1 -20 -38 42 o 21.896  9.1606  87.882     81.545   187.812    195.084  66.726     89.763   24.562  11.723  20.681  9.1302  3.881018       14.85925 
1 1 1 -20 -38 43 o 15.331  6.8350  10.503     51.547   162.196    116.002  -26.8202   57.541   25.386  10.789  13.846  6.5375  11.53986       12.61495 
1 1 1 -20 -38 44 o 24.334  8.3295  108.471    59.187   150.620    128.255  97.066     66.716   24.291  10.809  22.744  8.6851  1.546535       13.86601 
1 1 1 -20 -38 45 o 39.773  7.2623  254.617    67.504   141.867    134.329  292.710    78.078   23.695  10.756  41.579  8.0298  -17.88458      13.42306 
1 1 1 -20 -38 46 o 20.858  8.6126  76.626     70.743   78.991     119.390  75.347     87.821   21.300  9.8426  20.852  9.1235  0.4483433      13.42067 
1 1 1 -20 -38 47 o 22.360  10.276  107.842    127.652  107.842    127.652  0.0000     0.0000   22.360  10.276  ?       ?       0.000000       10.27618 
1 1 1 -20 -38 48 o 21.448  9.9435  83.582     123.312  83.582     123.312  0.0000     0.0000   21.448  9.9435  ?       ?       0.000000       9.943465 
1 1 1 -20 -38 49 o 14.329  6.5998  -6.5083    53.048   -202.1482  117.395  43.690     59.465   14.418  7.2637  18.132  7.7157  -3.714546      10.59690 
1 1 1 -20 -38 50 o 16.305  7.2692  18.217     58.304   53.782     122.768  7.8587     66.253   20.453  9.6244  16.283  7.4538  4.170267       12.17329 
1 1 1 -20 -38 51 o 16.401  7.4935  9.2123     66.536   109.780    124.860  -30.6710   78.630   22.539  10.285  15.564  7.4326  6.974232       12.68958 
1 1 1 -20 -38 52 o 12.565  6.1016  -59.5083   58.507   -20.4223   156.123  -65.8943   63.106   19.461  9.5596  12.866  6.2681  6.594779       11.43128 
1 1 1 -20 -38 53 o 18.761  8.0529  48.727     65.801   -81.3701   162.533  74.229     71.962   18.529  9.2171  20.694  8.6271  -2.164871      12.62465 
1 1 1 -20 -38 54 o 19.145  7.8106  57.403     57.308   -0.0694    132.635  70.595     63.546   19.090  9.2508  20.314  8.2489  -1.223417      12.39445 
1 1 1 -20 -38 55 o 26.635  8.6763  136.885    64.345   132.718    141.536  137.970    72.242   22.820  10.605  25.874  9.1788  -3.053667      14.02537 
1 1 1 -20 -38 56 o 17.051  8.0493  2.0675     87.160   -2.7458    212.872  3.0370     95.535   20.168  10.110  17.493  8.3079  2.674971       13.08576 
1 1 1 -20 -38 57 o 17.219  8.1214  10.005     88.359   81.936     218.143  -4.1130    96.642   20.896  10.439  17.101  8.1865  3.795258       13.26633 
1 1 1 -20 -37 1  o 11.560  5.4651  -26.4563   40.451   0.0000     0.0000   -26.4563   40.451   ?       ?       11.560  5.4651  0.000000       5.465141 
1 1 1 -20 -37 2  f 14.166  6.3527  4.3261     45.229   0.0000     0.0000   4.3261     45.229   ?       ?       14.166  6.3527  0.000000       6.352677 
1 1 1 -20 -37 3  o 29.109  7.5868  143.145    54.131   0.0000     0.0000   143.145    54.131   ?       ?       29.109  7.5868  0.000000       7.586823 
1 1 1 -20 -37 4  o 24.799  7.4993  104.603    48.963   0.0000     0.0000   104.603    48.963   ?       ?       24.799  7.4993  0.000000       7.499274 
1 1 1 -20 -37 5  o 14.475  6.3121  12.644     41.721   0.0000     0.0000   12.644     41.721   ?       ?       14.475  6.3121  0.000000       6.312080 
1 1 1 -20 -37 6  o 15.882  6.7224  25.999     44.739   0.0000     0.0000   25.999     44.739   ?       ?       15.882  6.7224  0.000000       6.722354 
1 1 1 -20 -37 7  o 21.619  7.2958  78.352     45.402   140.957    115.584  66.930     49.371   24.029  10.491  20.116  7.5178  3.912598       12.90685 
1 1 1 -20 -37 8  o 27.395  7.2853  124.554    49.266   189.850    126.641  112.911    53.478   26.033  11.173  25.327  7.8711  0.7063866      13.66716 
1 1 1 -20 -37 9  o 15.574  7.0070  9.6902     55.526   68.403     102.938  -14.4033   65.941   20.746  9.4173  15.194  7.1189  5.552466       11.80524 
1 1 1 -20 -37 10 o 20.222  8.3831  67.268     67.403   96.689     196.660  63.351     71.749   22.346  10.925  19.996  8.4911  2.350138       13.83662 
1 1 1 -20 -37 11 o 21.715  8.8397  85.835     73.202   429.971    228.432  46.452     77.277   29.156  13.523  19.143  8.4602  10.01321       15.95100 
1 1 1 -20 -37 12 o 48.318  5.9215  342.518    67.969   268.161    248.778  348.516    70.658   25.308  12.354  48.422  6.1527  -23.11493      13.80173 
1 1 1 -20 -37 13 o 19.077  7.3781  55.293     48.571   107.963    142.983  48.422     51.641   22.943  10.661  18.478  7.4597  4.464375       13.01141 
1 1 1 -20 -37 14 o 13.032  5.8608  -2.6370    38.798   -53.7709   101.792  6.0540     41.965   16.732  8.1071  14.112  6.2358  2.620208       10.22792 
1 1 1 -20 -37 15 o 18.884  7.0154  53.261     42.867   32.954     105.766  57.252     46.891   19.932  9.2294  19.398  7.3114  0.5347233      11.77444 
1 1 1 -20 -37 16 o 49.429  5.2248  341.054    61.715   320.992    128.542  347.064    70.354   35.830  12.275  48.798  6.0733  -12.96801      13.69536 
1 1 1 -20 -37 17 o 28.377  7.3899  129.309    51.385   148.921    111.716  124.046    57.870   25.900  10.769  26.950  8.1536  -1.049891      13.50772 
1 1 1 -20 -37 18 o 23.863  9.0872  102.511    72.909   127.246    145.281  94.185     84.292   24.546  11.159  23.046  9.4455  1.499432       14.62025 
1 1 1 -20 -37 19 o 33.528  9.5190  206.573    81.052   262.561    158.242  186.661    94.371   30.064  12.679  30.001  10.504  0.6295204E-01  16.46542 
1 1 1 -20 -37 20 o 17.168  7.7559  8.7844     68.849   -92.5759   133.310  45.655     80.402   18.110  8.8833  19.992  8.7389  -1.881563      12.46122 
1 1 1 -20 -37 21 o 18.130  8.0003  24.493     68.840   -127.0618  137.700  74.992     79.486   17.712  8.7528  21.926  9.0976  -4.214111      12.62446 
1 1 1 -20 -37 22 o 44.533  6.0325  284.050    63.507   135.492    166.384  309.383    68.708   25.356  11.682  46.195  6.2937  -20.83905      13.26980 
1 1 1 -20 -37 23 o 40.426  6.2050  236.062    58.921   333.004    115.315  201.810    68.545   40.621  11.292  35.260  8.1715  5.361012       13.93853 
1 1 1 -20 -37 24 o 19.989  7.4430  58.547     48.305   139.131    100.165  34.126     55.141   26.469  10.488  17.963  7.5253  8.506546       12.90880 
1 1 1 -20 -37 25 o 29.666  7.5038  138.285    54.052   202.189    107.860  116.855    62.461   30.765  11.178  26.244  8.5482  4.520731       14.07201 
1 1 1 -20 -37 26 o 14.519  6.4595  1.2443     45.783   -109.2165  95.969   33.791     52.093   15.355  7.5329  17.757  7.3662  -2.402261      10.53590 
1 1 1 -20 -37 27 o 42.784  6.0295  260.740    60.857   420.251    118.501  203.600    70.924   47.984  10.472  35.272  8.4062  12.71174       13.42867 
1 1 1 -20 -37 28 o 25.528  7.7077  104.218    51.752   84.415     103.157  110.879    59.825   23.203  10.022  25.789  8.3642  -2.586054      13.05377 
1 1 1 -20 -37 29 o 21.522  7.4691  71.105     47.662   -44.0727   101.843  103.405    53.933   17.704  8.4556  25.274  7.9127  -7.569933      11.58050 
1 1 1 -20 -37 30 o 41.534  5.8816  244.130    57.617   313.022    115.030  221.058    66.569   39.282  11.399  37.866  7.5105  1.415909       13.65084 
1 1 1 -20 -37 31 o 17.706  7.1693  36.448     47.853   178.836    103.677  -2.0975    53.943   29.348  10.909  15.267  6.8842  14.08039       12.89935 
1 1 1 -20 -37 32 o 18.168  7.2491  41.111     48.153   99.691     104.241  25.219     54.293   24.007  10.216  17.216  7.3503  6.791199       12.58511 
1 1 1 -20 -37 33 o 11.934  5.8568  -87.0648   58.197   61.903     121.060  -131.8382  66.369   22.432  10.194  11.716  5.8378  10.71672       11.74736 
1 1 1 -20 -37 34 o 40.175  9.1275  275.453    86.953   216.152    164.895  298.295    102.338  28.500  12.485  39.775  10.463  -11.27458      16.28969 
1 1 1 -20 -37 35 o 50.084  8.1951  401.087    96.146   438.964    172.354  383.975    115.845  39.173  14.146  44.953  10.763  -5.780735      17.77508 
1 1 1 -20 -37 36 o 17.238  7.2292  29.894     50.974   -31.6358   137.274  39.736     54.900   19.844  9.5646  18.345  7.5820  1.499226       12.20529 
1 1 1 -20 -37 37 f 17.389  7.1114  34.657     47.650   153.235    98.306   -1.7579    54.478   27.246  10.508  15.234  6.8892  12.01182       12.56504 
1 1 1 -20 -37 38 o 31.018  7.3733  151.524    54.678   385.006    104.063  62.482     64.265   46.859  9.4781  20.562  8.3143  26.29748       12.60803 
1 1 1 -20 -37 39 o 15.501  6.7972  11.684     48.985   55.518     97.726   -3.0249    56.610   21.046  9.3950  15.317  6.9646  5.728997       11.69493 
1 1 1 -20 -37 40 o 31.667  7.5769  161.078    57.440   203.158    117.411  147.837    65.859   29.114  11.412  28.948  8.6848  0.1664886      14.34116 
1 1 1 -20 -37 41 o 33.506  10.432  229.166    93.891   189.082    204.685  239.847    105.663  25.617  12.165  32.826  11.130  -7.209682      16.48779 
1 1 1 -20 -37 42 o 12.423  6.1146  -92.6447   64.932   -246.8324  161.549  -62.9357   70.912   16.729  8.4396  14.027  6.7889  2.702069       10.83129 
1 1 1 -20 -37 43 o 15.931  7.5542  -28.2192   78.377   -53.1242   187.021  -22.9132   86.323   20.337  10.077  16.738  7.9340  3.598934       12.82541 
1 1 1 -20 -37 44 o 24.823  8.1005  107.676    56.079   108.202    114.889  107.511    64.253   23.148  10.269  24.231  8.6499  -1.082569      13.42646 
1 1 1 -20 -37 45 o 28.331  11.847  231.309    136.268  231.309    136.268  0.0000     0.0000   28.331  11.847  ?       ?       0.000000       11.84650 
1 1 1 -20 -37 46 o 25.875  11.100  174.522    124.883  174.522    124.883  0.0000     0.0000   25.875  11.100  ?       ?       0.000000       11.09993 
1 1 1 -20 -37 47 o 18.065  8.6894  -20.2772   111.888  -20.2772   111.888  0.0000     0.0000   18.065  8.6894  ?       ?       0.000000       8.689384 
1 1 1 -20 -37 48 o 16.127  7.1648  16.325     56.129   70.254     118.893  0.8581     63.671   21.236  9.8163  15.830  7.2688  5.406016       12.21453 
1 1 1 -20 -37 49 o 31.030  7.9308  164.702    59.938   215.087    132.365  151.706    67.225   27.333  11.566  28.402  8.8247  -1.068670      14.54797 
1 1 1 -20 -37 50 o 17.769  7.4618  40.125     54.421   -34.5904   123.141  58.260     60.667   18.159  8.8259  19.480  8.0019  -1.320704      11.91332 
1 1 1 -20 -37 51 o 15.078  6.8105  4.2006     53.062   140.378    123.479  -26.6413   58.764   24.136  10.679  14.002  6.6097  10.13460       12.55937 
1 1 1 -20 -37 52 o 13.705  6.5592  -41.8703   61.955   -210.1378  164.884  -14.2078   66.854   17.020  8.5790  15.387  7.1960  1.633581       11.19741 
1 1 1 -20 -37 53 o 21.036  8.6960  75.628     72.239   -284.3011  175.404  149.148    79.275   16.617  8.4256  26.912  9.6079  -10.29450      12.77896 
1 1 1 -20 -37 54 o 19.347  7.8767  57.123     58.129   310.371    131.572  -4.2971    64.796   33.199  12.299  15.665  7.2431  17.53397       14.27342 
1 1 1 -20 -37 55 o 13.680  6.3958  -18.8090   52.747   -16.9888   129.452  -19.1714   57.759   18.772  9.1064  14.211  6.6596  4.560544       11.28174 
1 1 1 -20 -37 56 o 18.547  7.6650  50.444     56.101   181.771    134.764  22.914     61.702   25.163  11.144  16.816  7.4890  8.347086       13.42666 
1 1 1 -20 -37 57 o 19.977  9.3014  55.389     109.733  0.0000     0.0000   55.389     109.733  ?       ?       19.977  9.3014  0.000000       9.301419 
1 1 1 -20 -37 58 o 16.163  7.9016  -50.9898   102.828  0.0000     0.0000   -50.9898   102.828  ?       ?       16.163  7.9016  0.000000       7.901616 
1 1 1 -20 -36 1  o 14.822  6.7473  -0.3391    53.322   0.0000     0.0000   -0.3391    53.322   ?       ?       14.822  6.7473  0.000000       6.747309 
1 1 1 -20 -36 2  o 20.601  7.6076  69.868     50.260   0.0000     0.0000   69.868     50.260   ?       ?       20.601  7.6076  0.000000       7.607551 
1 1 1 -20 -36 3  o 17.783  7.1458  43.433     47.149   0.0000     0.0000   43.433     47.149   ?       ?       17.783  7.1458  0.000000       7.145834 
1 1 1 -20 -36 4  o 27.478  7.6616  127.741    53.002   0.0000     0.0000   127.741    53.002   ?       ?       27.478  7.6616  0.000000       7.661553 
1 1 1 -20 -36 5  o 20.227  7.4708  66.580     48.473   0.0000     0.0000   66.580     48.473   ?       ?       20.227  7.4708  0.000000       7.470768 
1 1 1 -20 -36 6  o 24.582  7.2411  99.829     46.109   0.4134     112.962  119.705    50.509   18.729  8.9340  26.746  7.4869  -8.017181      11.65629 
1 1 1 -20 -36 7  o 13.365  5.9870  0.2806     40.059   21.554     108.940  -3.0457    43.078   19.294  9.0749  13.510  6.1164  5.783319       10.94370 
1 1 1 -20 -36 8  o 32.190  6.4707  158.266    48.788   51.324     119.903  179.485    53.409   20.709  9.6691  34.088  6.6962  -13.37903      11.76142 
1 1 1 -20 -36 9  o 21.595  7.1415  75.570     43.534   169.198    106.474  56.776     47.703   26.682  10.732  19.244  7.3452  7.437466       13.00523 
1 1 1 -20 -36 10 o 24.760  8.7019  112.639    64.791   186.350    121.450  83.315     76.602   27.060  11.238  21.834  8.9829  5.226467       14.38708 
1 1 1 -20 -36 11 o 26.338  9.8887  142.547    85.615   159.636    221.444  139.543    92.834   24.505  11.893  25.707  10.125  -1.202482      15.61942 
1 1 1 -20 -36 12 o 25.228  9.7203  125.780    84.057   148.166    221.862  122.028    90.828   24.568  11.919  24.703  9.9210  -0.1347885     15.50793 
1 1 1 -20 -36 13 o 13.774  6.0526  4.9454     39.015   -326.4262  168.800  23.646     40.100   16.314  8.2713  15.603  6.4670  0.7110538      10.49934 
1 1 1 -20 -36 14 o 22.707  7.1710  81.383     44.199   24.846     105.689  93.366     48.658   20.022  9.2550  24.030  7.5146  -4.008324      11.92155 
1 1 1 -20 -36 15 o 22.505  6.7675  77.720     39.956   49.710     108.386  82.125     42.984   21.274  9.6592  22.951  7.0442  -1.677216      11.95495 
1 1 1 -20 -36 16 o 20.470  7.3001  63.396     45.754   -103.0402  103.750  103.579    50.978   16.051  7.8657  25.353  7.6487  -9.302713      10.97142 
1 1 1 -20 -36 17 o 23.148  7.5428  84.807     48.630   207.343    109.191  54.488     54.314   30.978  11.248  19.737  7.7542  11.24117       13.66192 
1 1 1 -20 -36 18 o 29.112  7.4112  132.248    52.487   206.512    113.105  111.866    59.254   30.794  11.404  25.937  8.3150  4.856455       14.11371 
1 1 1 -20 -36 19 o 17.343  7.7958  7.9610     68.551   -45.2072   137.270  25.626     79.123   19.825  9.5578  19.114  8.4984  0.7117710      12.78958 
1 1 1 -20 -36 20 o 16.797  7.6680  -4.3758    69.492   44.379     140.049  -20.3008   80.041   22.635  10.529  16.983  7.9197  5.652100       13.17492 
1 1 1 -20 -36 21 o 46.564  8.3609  343.481    90.993   421.740    175.737  314.815    106.360  39.262  14.268  41.399  10.556  -2.137310      17.74806 
1 1 1 -20 -36 22 o 23.285  7.7905  84.707     51.764   128.019    153.980  79.188     54.963   26.050  11.699  22.584  8.0067  3.465334       14.17646 
1 1 1 -20 -36 23 o 16.135  6.8108  19.745     45.721   26.718     95.625   17.678     52.057   20.351  9.1722  16.605  7.1459  3.746384       11.62727 
1 1 1 -20 -36 24 o 27.663  7.3931  117.567    50.573   42.710     102.907  141.404    58.070   21.511  9.6189  29.984  7.8789  -8.473156      12.43387 
1 1 1 -20 -36 25 o 12.883  5.9708  -22.4538   44.412   136.188    96.142   -65.4893   50.075   27.145  10.412  11.660  5.6583  15.48455       11.84982 
1 1 1 -20 -36 26 o 15.511  6.6356  13.803     44.409   -89.3693   95.732   42.093     50.130   16.118  7.8219  18.634  7.4084  -2.515564      10.77341 
1 1 1 -20 -36 27 o 13.197  5.9820  -10.5480   41.355   42.855     92.546   -23.8722   46.227   21.114  9.2987  13.083  6.0734  8.031268       11.10636 
1 1 1 -20 -36 28 o 14.256  6.3220  -0.4004    43.511   92.403     95.037   -25.0107   48.941   24.133  9.9752  13.417  6.2353  10.71615       11.76367 
1 1 1 -20 -36 29 o 16.896  6.9167  28.087     45.133   -56.3139   98.468   50.534     50.781   17.369  8.3008  19.528  7.5465  -2.158937      11.21843 
1 1 1 -20 -36 30 o 13.390  6.1140  -14.0108   44.204   10.766     97.433   -20.4321   49.602   19.823  9.0613  13.769  6.3561  6.054471       11.06829 
1 1 1 -20 -36 31 o 15.988  6.7539  18.539     45.017   5.9336     100.943  21.668     50.295   19.815  9.1183  16.793  7.1190  3.021391       11.56819 
1 1 1 -20 -36 32 o 31.277  7.1226  146.846    52.844   148.966    111.137  146.227    60.069   27.636  11.017  30.383  8.0277  -2.746920      13.63160 
1 1 1 -20 -36 33 o 16.556  6.9828  21.835     47.997   67.657     101.049  8.4842     54.543   22.681  9.8577  16.193  7.1345  6.488344       12.16861 
1 1 1 -20 -36 34 o 23.059  8.9516  83.613     71.703   67.009     139.485  89.576     83.594   23.630  10.817  23.639  9.5092  -0.8394241E-02 14.40217 
1 1 1 -20 -36 35 o 40.643  8.9856  272.869    86.259   244.961    157.849  284.751    102.998  31.056  12.848  39.209  10.581  -8.153275      16.64393 
1 1 1 -20 -36 36 o 19.408  8.3115  38.363     69.805   43.938     138.915  36.480     80.739   22.637  10.515  19.919  8.7308  2.717632       13.66723 
1 1 1 -20 -36 37 o 31.041  7.5780  150.292    56.579   88.537     116.216  169.475    64.774   23.781  10.448  32.350  8.2318  -8.568132      13.30125 
1 1 1 -20 -36 38 o 33.809  7.3129  175.070    58.246   160.942    118.131  179.609    66.950   27.568  11.227  33.161  8.3312  -5.593817      13.98028 
1 1 1 -20 -36 39 o 30.721  7.8457  151.034    58.690   113.615    116.852  163.658    67.872   24.790  10.687  31.101  8.6693  -6.311760      13.76114 
1 1 1 -20 -36 40 o 18.820  7.6287  44.973     54.246   -32.0379   110.905  69.191     62.193   18.562  8.8538  21.285  8.3163  -2.722744      12.14702 
1 1 1 -20 -36 41 o 20.204  8.8329  46.514     82.167   16.767     187.393  53.594     91.424   22.498  10.924  20.959  9.2356  1.539320       14.30495 
1 1 1 -20 -36 42 o 20.156  8.6817  50.831     76.977   68.440     176.705  46.707     85.518   23.276  11.123  20.255  8.9285  3.021116       14.26301 
1 1 1 -20 -36 43 o 15.654  7.4412  -37.7030   76.963   -209.5275  171.061  5.9057     86.178   17.894  8.9828  18.168  8.3837  -0.2739811     12.28722 
1 1 1 -20 -36 44 o 27.765  11.533  192.657    127.930  192.657    127.930  0.0000     0.0000   27.765  11.533  ?       ?       0.000000       11.53267 
1 1 1 -20 -36 45 o 27.940  11.551  199.887    127.459  199.887    127.459  0.0000     0.0000   27.940  11.551  ?       ?       0.000000       11.55070 
1 1 1 -20 -36 46 o 34.875  12.536  325.539    135.182  325.539    135.182  0.0000     0.0000   34.875  12.536  ?       ?       0.000000       12.53622 
1 1 1 -20 -36 47 o 27.949  9.6872  157.211    80.161   139.381    125.143  169.618    104.388  24.576  10.818  27.059  10.712  -2.483351      15.22441 
1 1 1 -20 -36 48 o 33.900  7.0988  181.235    56.520   478.655    136.371  119.550    62.105   45.987  12.069  25.671  8.5318  20.31643       14.78030 
1 1 1 -20 -36 49 o 19.174  7.6821  54.649     54.316   178.462    122.600  24.412     60.586   26.422  11.153  17.109  7.5295  9.312727       13.45659 
1 1 1 -20 -36 50 o 27.609  8.4801  137.157    62.281   242.292    135.977  109.246    70.063   29.019  11.957  24.030  8.9606  4.988552       14.94205 
1 1 1 -20 -36 51 o 17.142  7.1635  34.337     49.786   -108.4102  121.002  63.428     54.624   16.558  8.1868  20.007  7.8003  -3.448994      11.30787 
1 1 1 -20 -36 52 f 19.554  8.2907  54.234     68.233   23.633     161.906  60.843     75.242   21.011  10.191  20.200  8.6392  0.8113098      13.35995 
1 1 1 -20 -36 53 o 22.470  8.9702  91.538     73.771   155.980    167.835  76.106     82.130   24.518  11.445  21.352  9.0763  3.165909       14.60716 
1 1 1 -20 -36 54 o 16.661  7.5867  8.0310     67.483   -165.7674  159.487  45.932     74.478   17.561  8.7956  19.253  8.4134  -1.691553      12.17165 
1 1 1 -20 -36 55 f 17.780  7.5280  37.617     56.131   103.292    131.293  22.928     62.092   22.838  10.469  17.107  7.5709  5.731108       12.91930 
1 1 1 -20 -36 56 o 14.671  6.8227  -13.3900   58.756   0.0000     0.0000   -13.3900   58.756   ?       ?       14.671  6.8227  0.000000       6.822693 
1 1 1 -20 -36 57 o 19.228  8.9290  32.765     100.050  0.0000     0.0000   32.765     100.050  ?       ?       19.228  8.9290  0.000000       8.929044 
1 1 1 -20 -36 58 o 23.535  9.9478  126.658    97.747   37.399     234.625  145.404    107.522  21.266  10.654  24.261  10.351  -2.995264      14.85376 
1 1 1 -20 -36 59 o 15.992  7.7684  -42.6781   95.036   -92.0563   292.918  -36.8688   100.470  ?       ?       16.465  7.9954  0.000000       7.995361 
1 1 1 -20 -35 1  o 41.663  8.7107  300.922    85.224   0.0000     0.0000   300.922    85.224   ?       ?       41.663  8.7107  0.000000       8.710694 
1 1 1 -20 -35 2  o 15.527  7.0199  4.4182     56.519   0.0000     0.0000   4.4182     56.519   ?       ?       15.527  7.0199  0.000000       7.019915 
1 1 1 -20 -35 3  o 33.272  7.1933  176.047    56.381   0.0000     0.0000   176.047    56.381   ?       ?       33.272  7.1933  0.000000       7.193338 
1 1 1 -20 -35 4  o 15.656  6.6882  21.179     44.998   0.0000     0.0000   21.179     44.998   ?       ?       15.656  6.6882  0.000000       6.688180 
1 1 1 -20 -35 5  o 15.703  6.6493  22.793     43.801   -38.4553   104.978  35.703     48.196   17.361  8.3668  17.194  7.1051  0.1664276      10.97657 
1 1 1 -20 -35 6  o 18.532  7.0452  50.437     43.777   150.724    106.651  30.117     48.008   25.694  10.589  16.707  7.0117  8.986746       12.69960 
1 1 1 -20 -35 7  o 30.569  6.8268  144.914    49.358   156.703    122.226  142.616    53.953   25.626  10.987  29.587  7.5041  -3.960096      13.30507 
1 1 1 -20 -35 8  o 41.656  5.7149  248.806    56.241   271.283    153.700  245.331    60.432   29.981  12.562  40.694  6.3257  -10.71283      14.06517 
1 1 1 -20 -35 9  o 19.437  6.9665  56.853     41.717   64.613     106.960  55.461     45.305   21.567  9.7123  19.309  7.2045  2.258495       12.09268 
1 1 1 -20 -35 10 o 15.811  6.5082  25.230     40.235   39.617     106.853  22.853     43.431   20.642  9.4553  15.879  6.6668  4.763110       11.56936 
1 1 1 -20 -35 11 o 44.878  8.0479  322.454    84.417   197.529    134.656  403.340    108.352  28.318  11.803  47.773  9.6790  -19.45518      15.26415 
1 1 1 -20 -35 12 o 18.383  7.8061  35.382     60.636   90.884     203.858  29.995     63.510   24.410  11.738  18.186  7.8594  6.223372       14.12660 
1 1 1 -20 -35 13 o 14.655  6.7585  -16.0476   55.878   239.257    147.162  -59.0577   60.402   30.526  12.492  13.223  6.3663  17.30339       14.02093 
1 1 1 -20 -35 14 o 16.529  6.4949  31.827     38.109   49.929     148.777  30.556     39.425   22.924  10.726  16.495  6.5663  6.429081       12.57591 
1 1 1 -20 -35 15 o 31.332  5.8968  139.499    43.185   89.040     110.460  148.603    46.920   23.806  10.326  32.078  6.2529  -8.272293      12.07198 
1 1 1 -20 -35 16 o 35.774  5.7336  179.070    48.087   372.863    116.215  139.036    52.821   45.091  10.770  30.189  7.2928  14.90200       13.00683 
1 1 1 -20 -35 17 o 23.467  7.5541  84.875     48.868   24.410     112.360  98.980     54.270   21.148  9.6906  25.007  7.9513  -3.858057      12.53518 
1 1 1 -20 -35 18 o 31.145  6.9225  143.675    50.957   188.791    113.287  132.232    57.055   30.450  11.386  29.023  7.8932  1.426989       13.85466 
1 1 1 -20 -35 19 o 19.373  7.2245  50.780     45.546   -42.7769   96.134   77.857     51.719   17.705  8.3868  22.645  7.7849  -4.939869      11.44302 
1 1 1 -20 -35 20 o 19.169  8.2531  30.718     69.500   -82.6028   144.031  65.112     79.349   19.825  9.6149  22.082  9.1200  -2.256132      13.25216 
1 1 1 -20 -35 21 o 25.681  9.2770  108.655    74.136   203.132    145.701  75.650     86.118   30.457  12.443  23.097  9.5161  7.360783       15.66491 
1 1 1 -20 -35 22 o 52.410  7.6368  408.289    94.262   204.378    177.952  487.820    111.134  29.894  13.036  56.319  8.3886  -26.42501      15.50174 
1 1 1 -20 -35 23 o 19.860  7.1228  54.509     43.617   -82.9707   89.940   96.784     49.874   15.962  7.7053  25.239  7.5544  -9.277386      10.79082 
1 1 1 -20 -35 24 o 12.765  5.8420  -16.5294   40.664   -21.7273   93.811   -15.3267   45.124   18.504  8.6103  13.545  6.1817  4.958822       10.59956 
1 1 1 -20 -35 25 o 23.340  7.3532  81.132     46.495   29.229     98.112   96.164     52.800   21.100  9.4167  25.069  7.8260  -3.969418      12.24416 
1 1 1 -20 -35 26 o 18.392  7.0786  41.275     44.537   -19.0622   93.954   58.762     50.581   18.656  8.6598  20.634  7.6295  -1.977718      11.54124 
1 1 1 -20 -35 27 o 14.438  6.3991  -1.5411    44.517   101.021    99.925   -26.9385   49.725   25.302  10.317  13.542  6.2906  11.76017       12.08369 
1 1 1 -20 -35 28 o 15.305  6.5527  11.098     43.367   -124.6370  95.507   46.352     48.674   15.372  7.5358  19.208  7.3979  -3.836591      10.56020 
1 1 1 -20 -35 29 o 10.131  4.9428  -62.6032   39.673   -45.8930   91.610   -66.4606   44.015   17.422  8.2331  10.734  5.2305  6.688358       9.754103 
1 1 1 -20 -35 30 o 25.482  7.5016  98.094     49.499   135.773    105.329  87.414     56.077   27.621  10.814  23.929  8.1081  3.691650       13.51618 
1 1 1 -20 -35 31 o 19.083  7.4497  44.671     49.874   240.226    102.654  -15.7505   57.061   36.313  10.831  15.151  6.9288  21.16271       12.85768 
1 1 1 -20 -35 32 o 14.834  6.5412  1.4707     45.942   -41.4212   97.815   13.611     52.039   18.063  8.5272  16.495  7.1214  1.568375       11.10980 
1 1 1 -20 -35 33 f 16.776  6.9660  23.915     46.653   6.6376     100.853  28.618     52.622   20.141  9.2114  17.753  7.3871  2.388498       11.80757 
1 1 1 -20 -35 34 o 24.313  8.7751  93.181     66.311   101.844    107.452  87.852     84.271   25.210  10.529  23.958  9.5794  1.252314       14.23434 
1 1 1 -20 -35 35 f 35.862  9.6997  219.732    86.439   249.164    152.798  205.880    104.825  32.614  12.944  32.711  11.086  -0.9701538E-01 17.04247 
1 1 1 -20 -35 36 o 20.657  8.8673  44.115     79.787   44.356     137.925  43.993     97.816   23.174  10.662  21.563  9.5246  1.611176       14.29670 
1 1 1 -20 -35 37 o 26.603  10.055  125.138    88.842   34.914     139.886  186.134    115.017  22.808  10.580  30.244  11.438  -7.436199      15.58098 
1 1 1 -20 -35 38 o 32.645  7.5722  163.254    58.818   264.867    114.486  126.817    68.557   36.267  11.551  27.454  8.9564  8.813330       14.61623 
1 1 1 -20 -35 39 o 25.519  7.9690  103.648    54.742   149.077    108.202  88.020     63.463   27.623  10.915  23.490  8.5682  4.133410       13.87646 
1 1 1 -20 -35 40 o 31.023  7.8651  151.913    59.285   167.331    113.404  146.114    69.546   28.500  11.202  29.276  8.9559  -0.7751503     14.34214 
1 1 1 -20 -35 41 o 18.245  7.4574  38.110     52.364   22.959     114.945  42.078     58.822   20.936  9.6684  18.990  7.8484  1.945616       12.45293 
1 1 1 -20 -35 42 o 21.783  9.0558  69.118     78.976   342.595    177.545  1.6586     88.180   33.931  13.785  18.478  8.5101  15.45306       16.19988 
1 1 1 -20 -35 43 o 19.656  9.6851  -101.7755  164.374  -101.7755  164.374  0.0000     0.0000   19.656  9.6851  ?       ?       0.000000       9.685090 
1 1 1 -20 -35 44 o 21.024  10.280  -41.1694   174.345  -41.1694   174.345  0.0000     0.0000   21.024  10.280  ?       ?       0.000000       10.28010 
1 1 1 -20 -35 45 o 34.929  9.2032  216.069    79.092   108.565    125.781  286.374    101.717  24.068  10.707  38.240  10.596  -14.17212      15.06435 
1 1 1 -20 -35 46 o 22.031  8.1919  79.860     58.477   -15.3425   123.418  107.420    66.404   19.393  9.2752  24.586  8.7917  -5.193186      12.77978 
1 1 1 -20 -35 47 o 33.546  8.5487  193.364    69.786   269.404    129.169  162.020    82.931   32.353  12.146  28.568  9.8558  3.784784       15.64204 
1 1 1 -20 -35 48 o 34.480  8.5158  204.156    70.825   223.530    130.870  196.132    84.225   29.104  11.830  31.578  9.8885  -2.474216      15.41888 
1 1 1 -20 -35 49 o 22.321  7.6747  82.440     50.266   275.660    125.270  45.359     54.878   32.814  12.028  18.509  7.6077  14.30457       14.23162 
1 1 1 -20 -35 50 o 20.068  7.7208  62.762     52.972   9.3248     122.192  75.129     58.783   19.751  9.3850  21.307  8.1486  -1.555834      12.42892 
1 1 1 -20 -35 51 o 16.534  7.0885  24.933     50.872   -52.3568   120.934  41.550     56.074   17.975  8.7390  18.215  7.6063  -0.2390118     11.58556 
1 1 1 -20 -35 52 o 21.619  8.2039  78.388     59.292   240.727    133.737  38.672     66.148   29.626  11.989  18.522  8.0128  11.10378       14.42019 
1 1 1 -20 -35 53 o 14.998  6.9467  -12.5786   59.991   -90.3652   154.758  1.1774     65.080   18.754  9.2701  16.198  7.4047  2.556395       11.86440 
1 1 1 -20 -35 54 o 27.516  9.8946  153.880    84.221   301.743    176.270  110.139    95.873   29.782  12.981  23.721  9.9293  6.060207       16.34303 
1 1 1 -20 -35 55 o 15.773  7.1417  3.5355     58.754   0.0000     0.0000   3.5355     58.754   ?       ?       15.773  7.1417  0.000000       7.141691 
1 1 1 -20 -35 56 o 27.425  9.2708  144.607    73.311   0.0000     0.0000   144.607    73.311   ?       ?       27.425  9.2708  0.000000       9.270753 
1 1 1 -20 -35 57 o 27.888  10.775  183.407    103.501  443.344    254.296  131.798    113.311  28.942  13.689  24.254  10.490  4.687807       17.24606 
1 1 1 -20 -35 58 o 15.584  7.5036  -44.5962   83.965   -100.0653  316.941  -40.4093   87.076   ?       ?       15.952  7.6715  0.000000       7.671457 
1 1 1 -20 -35 59 o 13.206  6.5346  -103.5527  77.669   -298.1715  320.441  -91.4052   80.057   ?       ?       13.737  6.7669  0.000000       6.766946 
1 1 1 -20 -34 1  o 10.659  5.0694  -32.0640   35.804   0.0000     0.0000   -32.0640   35.804   ?       ?       10.659  5.0694  0.000000       5.069366 
1 1 1 -20 -34 2  o 13.787  6.3748  -14.6130   50.201   0.0000     0.0000   -14.6130   50.201   ?       ?       13.787  6.3748  0.000000       6.374849 
1 1 1 -20 -34 3  o 19.586  7.1584  58.768     44.328   -23.8329   125.941  70.448     47.359   18.990  9.1549  20.964  7.4323  -1.974514      11.79199 
1 1 1 -20 -34 4  o 30.327  6.7161  141.183    48.117   7.1892     112.780  171.002    53.202   19.383  9.1520  33.390  6.7978  -14.00720      11.40042 
1 1 1 -20 -34 5  o 17.456  7.0644  37.932     46.437   78.358     128.660  31.877     49.793   22.446  10.316  17.116  7.1592  5.330378       12.55700 
1 1 1 -20 -34 6  o 11.234  5.3169  -30.8499   38.481   -2.7154    101.545  -35.5676   41.582   18.669  8.7748  11.488  5.4635  7.180771       10.33667 
1 1 1 -20 -34 7  o 15.029  6.4078  15.864     41.162   -42.0604   104.909  26.404     44.750   17.673  8.4784  16.345  6.8076  1.328209       10.87322 
1 1 1 -20 -34 8  o 23.912  7.3245  90.485     46.499   14.270     104.659  109.229    51.903   19.728  9.1511  25.968  7.6916  -6.240202      11.95423 
1 1 1 -20 -34 9  o 24.348  7.3014  93.009     46.556   104.614    112.686  90.621     51.123   24.231  10.470  23.764  7.7333  0.4677792      13.01672 
1 1 1 -20 -34 10 o 27.392  7.4768  117.783    51.084   209.244    117.927  96.656     56.678   30.731  11.592  24.343  8.1519  6.388557       14.17133 
1 1 1 -20 -34 11 o 22.849  7.5639  81.081     48.831   114.311    111.386  73.175     54.329   25.170  10.628  21.845  7.9339  3.324961       13.26257 
1 1 1 -20 -34 12 o 34.470  8.6874  195.005    72.635   56.567     165.522  228.021    80.833   23.881  11.218  36.925  9.0844  -13.04347      14.43476 
1 1 1 -20 -34 13 o 30.091  8.7309  149.800    67.487   76.391     155.617  166.805    74.896   24.489  11.288  31.261  9.2344  -6.772114      14.58434 
1 1 1 -20 -34 14 o 24.844  8.6133  99.345     63.375   95.883     161.252  99.978     68.921   25.443  11.640  24.792  8.9464  0.6506214      14.68100 
1 1 1 -20 -34 15 o 29.546  6.0292  123.483    41.760   55.123     102.875  136.970    45.695   22.421  9.8407  30.966  6.2961  -8.544897      11.68244 
1 1 1 -20 -34 16 o 27.350  6.2416  106.940    40.507   -11.2865   105.932  127.188    43.839   19.734  9.1718  29.894  6.2452  -10.16025      11.09610 
1 1 1 -20 -34 17 o 13.799  5.8971  7.4064     35.009   22.490     105.522  5.5408     37.111   21.190  9.5848  13.939  6.0159  7.251040       11.31628 
1 1 1 -20 -34 18 o 19.161  7.1327  47.911     44.355   80.662     97.189   39.294     49.849   23.993  10.016  18.586  7.3882  5.407078       12.44629 
1 1 1 -20 -34 19 o 12.964  5.9547  -19.3406   42.780   109.929    128.282  -35.5160   45.378   26.354  11.276  12.430  5.8498  13.92334       12.70319 
1 1 1 -20 -34 20 o 22.875  7.1901  76.451     44.483   -60.5137   95.298   114.607    50.299   17.348  8.2561  27.769  7.3501  -10.42132      11.05381 
1 1 1 -20 -34 21 o 18.857  7.9364  30.295     61.789   151.820    138.320  -0.0016    69.063   28.787  11.977  17.521  7.8541  11.26602       14.32285 
1 1 1 -20 -34 22 o 25.548  8.9205  101.472    68.035   -26.3001   147.916  135.758    76.622   22.106  10.451  28.792  9.4722  -6.685984      14.10488 
1 1 1 -20 -34 23 o 31.529  9.1762  160.098    74.444   280.055    157.369  125.515    84.496   35.736  13.409  27.618  9.9129  8.117685       16.67524 
1 1 1 -20 -34 24 o 43.243  5.5478  252.186    56.868   475.566    109.284  169.236    66.595   56.532  8.2068  33.274  8.2814  23.25879       11.65907 
1 1 1 -20 -34 25 o 14.059  6.2180  -2.7165    41.817   -3.7242    95.825   -2.4795    46.476   19.751  9.0118  14.755  6.5391  4.995173       11.13427 
1 1 1 -20 -34 26 o 18.493  7.1241  40.222     45.145   88.959     93.200   25.281     51.603   24.845  10.024  17.605  7.3196  7.239761       12.41234 
1 1 1 -20 -34 27 o 21.420  7.3740  64.514     46.411   -6.0380    100.185  83.791     52.369   19.992  9.1569  23.829  7.8304  -3.837044      12.04846 
1 1 1 -20 -34 28 o 34.350  6.4345  165.460    51.660   76.116     104.562  194.311    59.418   24.367  10.294  36.949  6.8808  -12.58138      12.38152 
1 1 1 -20 -34 29 o 17.263  7.1000  25.709     47.833   98.388     98.645   3.3674     54.693   25.599  10.319  16.235  7.1491  9.363989       12.55315 
1 1 1 -20 -34 30 o 42.549  5.7899  246.262    58.224   364.545    114.437  204.949    67.632   46.901  10.335  37.236  7.7382  9.664780       12.91073 
1 1 1 -20 -34 31 o 27.564  7.5553  113.203    52.035   389.417    104.678  22.547     59.970   50.284  8.9054  18.164  7.7392  32.12069       11.79830 
1 1 1 -20 -34 32 o 21.331  7.5536  63.740     48.903   80.236     105.515  59.227     55.189   24.529  10.350  21.042  7.9318  3.487139       13.03972 
1 1 1 -20 -34 33 o 22.917  7.7241  76.938     50.889   125.298    104.305  61.831     58.298   27.324  10.742  21.406  8.1320  5.918085       13.47311 
1 1 1 -20 -34 34 o 25.999  8.1174  103.603    56.803   215.408    108.947  61.865     66.566   34.042  11.300  21.713  8.5672  12.32915       14.18009 
1 1 1 -20 -34 35 o 17.572  8.0870  -17.4308   79.429   -54.9819   129.488  5.2219     100.573  20.076  9.5735  20.296  9.2497  -0.2204380     13.31199 
1 1 1 -20 -34 36 o 23.804  9.6295  81.621     86.243   99.237     139.803  70.799     109.578  25.958  11.430  23.847  10.315  2.111135       15.39630 
1 1 1 -20 -34 37 o 18.077  8.2850  -10.0909   82.198   67.841     134.478  -56.5739   103.858  24.380  10.942  18.081  8.6087  6.299595       13.92268 
1 1 1 -20 -34 38 o 28.629  8.8126  133.289    67.218   293.833    186.417  109.296    72.067   33.616  13.939  25.892  9.1695  7.724237       16.68451 
1 1 1 -20 -34 39 o 26.111  8.1488  107.283    57.251   127.021    111.920  100.288    66.628   26.725  10.911  25.009  8.8210  1.716616       14.03039 
1 1 1 -20 -34 40 o 32.557  7.7709  162.980    60.536   317.705    122.609  113.104    69.612   40.102  11.807  26.138  9.0291  13.96353       14.86334 
1 1 1 -20 -34 41 o 24.586  9.0687  98.793     71.379   28.497     110.889  148.525    93.271   21.354  9.7242  28.328  10.379  -6.974653      14.22269 
1 1 1 -20 -34 42 o 33.061  12.123  241.676    127.276  241.676    127.276  0.0000     0.0000   33.061  12.123  ?       ?       0.000000       12.12262 
1 1 1 -20 -34 43 o 25.715  12.013  115.486    185.502  115.486    185.502  0.0000     0.0000   25.715  12.013  ?       ?       0.000000       12.01338 
1 1 1 -20 -34 44 o 19.536  8.7045  28.010     83.468   -32.8751   178.829  44.968     94.379   21.798  10.604  20.981  9.3072  0.8173122      14.10930 
1 1 1 -20 -34 45 o 24.172  8.2705  96.202     58.352   259.109    117.430  42.790     67.240   34.384  11.733  19.419  8.2315  14.96528       14.33237 
1 1 1 -20 -34 46 o 9.9189  4.8199  -51.6905   36.670   -142.0965  114.710  -41.3999   38.701   16.015  7.9278  10.778  5.1649  5.237606       9.461831 
1 1 1 -20 -34 47 o 28.585  9.1112  147.064    71.224   16.638     197.934  166.464    76.338   22.611  11.034  30.111  9.4117  -7.499439      14.50281 
1 1 1 -20 -34 48 o 8.6232  4.3639  -140.5289  45.561   -13.5293   114.748  -164.2978  49.642   19.099  9.0808  8.7361  4.4350  10.36326       10.10596 
1 1 1 -20 -34 49 o 17.164  6.9981  34.608     45.968   -34.0992   119.175  46.617     49.824   18.632  8.9635  18.548  7.3821  0.8381653E-01  11.61211 
1 1 1 -20 -34 50 o 27.533  8.5501  133.272    63.117   269.129    133.437  94.115     71.637   31.943  12.263  23.085  8.9515  8.857395       15.18220 
1 1 1 -20 -34 51 o 17.094  7.4365  24.124     57.617   -7.6642    130.638  31.801     64.198   19.784  9.4831  18.073  7.8562  1.710182       12.31457 
1 1 1 -20 -34 52 o 16.630  7.1961  22.348     53.382   58.193     131.727  15.304     58.392   21.812  10.168  16.549  7.3321  5.262949       12.53558 
1 1 1 -20 -34 53 o 17.763  7.9455  20.379     70.280   -73.4246   170.149  39.675     77.171   19.813  9.7797  19.272  8.4891  0.5405273      12.95019 
1 1 1 -20 -34 54 o 14.900  7.1205  -45.1122   72.430   0.0000     0.0000   -45.1122   72.430   ?       ?       14.900  7.1205  0.000000       7.120464 
1 1 1 -20 -34 55 o 12.652  6.0931  -53.5816   55.422   0.0000     0.0000   -53.5816   55.422   ?       ?       12.652  6.0931  0.000000       6.093062 
1 1 1 -20 -34 56 o 24.319  8.4203  103.200    60.558   81.212     143.109  107.996    66.837   22.770  10.609  24.493  8.8137  -1.722137      13.79235 
1 1 1 -20 -34 57 o 14.210  6.5834  -15.3293   53.927   -22.5703   137.635  -14.0161   58.614   19.540  9.4572  14.796  6.8580  4.743750       11.68201 
1 1 1 -20 -34 58 o 22.878  9.7393  100.019    94.820   -25.5856   357.682  109.513    98.338   ?       ?       23.407  9.9402  0.000000       9.940194 
1 1 1 -20 -34 59 o 16.131  7.7281  -34.7577   86.496   114.507    325.659  -46.0867   89.718   23.086  11.681  15.993  7.7143  7.093356       13.99879 
1 1 1 -20 -33 1  o 25.505  7.2340  104.081    46.833   0.0000     0.0000   104.081    46.833   ?       ?       25.505  7.2340  0.000000       7.234037 
1 1 1 -20 -33 2  o 24.930  12.045  153.673    220.970  113.654    372.109  175.472    274.636  24.499  12.406  25.137  12.411  -0.6379108     17.54808 
1 1 1 -20 -33 3  o 27.935  9.0794  142.425    70.478   0.0000     0.0000   142.425    70.478   ?       ?       27.935  9.0794  0.000000       9.079365 
1 1 1 -20 -33 4  o 11.568  5.3990  -22.4318   37.321   -125.4916  116.307  -10.6022   39.404   16.337  8.0681  12.688  5.7853  3.649106       9.927953 
1 1 1 -20 -33 5  o 25.229  7.1196  99.433     45.483   174.725    109.347  83.682     50.015   28.300  11.035  22.851  7.6577  5.449606       13.43214 
1 1 1 -20 -33 6  o 21.215  7.1873  68.706     44.063   -203.4193  109.452  121.339    48.136   14.487  7.2603  28.093  7.0678  -13.60623      10.13243 
1 1 1 -20 -33 7  o 19.226  7.1145  52.092     44.001   103.026    101.524  40.312     48.825   24.343  10.205  18.188  7.2847  6.154652       12.53859 
1 1 1 -20 -33 8  o 19.958  7.1333  57.556     43.710   -18.4730   105.142  73.442     48.060   18.959  8.9167  21.936  7.5058  -2.976974      11.65525 
1 1 1 -20 -33 9  o 24.675  7.4852  94.191     48.724   42.147     138.658  101.523    52.043   22.806  10.563  25.432  7.7407  -2.625648      13.09543 
1 1 1 -20 -33 10 o 11.737  5.5654  -37.8915   42.550   63.588     102.382  -59.0792   46.782   22.674  9.8876  11.429  5.5272  11.24462       11.32765 
1 1 1 -20 -33 11 o 9.7624  4.6186  -28.0456   28.981   -7.2830    99.636   -29.9646   30.291   19.369  8.9649  9.9204  4.7017  9.448925       10.12304 
1 1 1 -20 -33 12 o 23.869  6.4972  82.727     38.638   100.981    96.751   79.264     42.145   25.099  10.183  23.177  6.9461  1.921450       12.32655 
1 1 1 -20 -33 13 o 39.003  8.1989  233.231    75.129   241.464    168.523  231.189    83.931   32.135  13.283  37.683  9.2482  -5.548031      16.18543 
1 1 1 -20 -33 14 o 31.344  8.8619  157.729    70.399   341.420    157.257  111.690    78.729   39.012  13.566  26.214  9.5461  12.79768       16.58768 
1 1 1 -20 -33 15 o 14.362  6.5580  -16.7607   50.869   -131.8617  152.845  -2.4234    53.944   19.704  9.6326  15.682  6.9919  4.021048       11.90272 
1 1 1 -20 -33 16 o 11.947  5.4478  -15.0458   34.951   51.117     103.991  -23.4715   37.110   22.856  9.9660  11.758  5.4522  11.09831       11.35995 
1 1 1 -20 -33 17 o 20.377  6.7912  57.630     39.339   54.209     96.011   58.321     43.125   22.734  9.7421  20.555  7.1064  2.179008       12.05854 
1 1 1 -20 -33 18 o 31.489  6.5634  140.057    48.522   274.967    145.353  123.137    51.474   36.561  13.014  28.996  7.3164  7.564886       14.92997 
1 1 1 -20 -33 19 o 36.003  5.9926  177.713    50.510   267.972    100.910  147.538    58.345   40.172  10.303  31.585  7.6860  8.586178       12.85401 
1 1 1 -20 -33 20 o 55.067  4.7576  395.423    62.944   480.134    119.597  362.969    74.027   56.023  9.1112  51.701  6.0133  4.322548       10.91666 
1 1 1 -20 -33 21 o 27.258  8.3405  112.590    60.313   115.286    96.670   110.871    77.176   27.083  10.427  26.709  9.4857  0.3738041      14.09626 
1 1 1 -20 -33 22 o 26.078  9.0027  103.487    69.200   111.377    149.247  101.326    78.103   27.698  12.009  25.867  9.4946  1.831419       15.30896 
1 1 1 -20 -33 23 o 56.003  7.1062  440.568    94.391   451.890    184.096  436.530    109.942  45.714  14.656  54.048  8.6771  -8.333363      17.03235 
1 1 1 -20 -33 24 o 25.133  8.8400  93.788     66.871   -86.6250   152.268  136.899    74.433   21.207  10.185  29.469  9.3059  -8.261238      13.79601 
1 1 1 -20 -33 25 o 25.594  7.3596  95.067     48.146   137.818    98.338   81.588     55.217   28.963  10.650  23.768  8.0457  5.195313       13.34780 
1 1 1 -20 -33 26 o 30.271  7.0336  131.004    50.677   226.905    102.317  99.831     58.335   36.555  10.792  25.891  8.2450  10.66402       13.58106 
1 1 1 -20 -33 27 f 18.043  7.1206  34.014     45.995   -3.0383    97.326   44.669     52.190   20.176  9.1579  19.630  7.6324  0.5464706      11.92147 
1 1 1 -20 -33 28 o 16.834  6.9229  22.422     45.473   95.826     98.738   2.6623     51.229   25.851  10.357  15.886  6.9591  9.964886       12.47821 
1 1 1 -20 -33 29 o 21.303  7.4898  61.917     48.001   148.148    100.239  36.260     54.678   29.754  10.781  19.012  7.6757  10.74219       13.23449 
1 1 1 -20 -33 30 o 55.596  4.9876  404.756    66.567   360.457    121.649  423.690    79.531   46.348  10.985  56.057  5.9375  -9.708908      12.48684 
1 1 1 -20 -33 31 o 20.722  7.5186  56.924     48.773   -29.9433   99.498   84.399     55.957   19.164  8.9009  24.064  8.0997  -4.899614      12.03457 
1 1 1 -20 -33 32 o 26.713  8.2320  107.374    58.635   182.973    104.799  72.925     70.744   32.348  11.084  23.172  8.9205  9.175945       14.22745 
1 1 1 -20 -33 33 o 59.470  5.1922  466.555    74.171   489.353    129.891  455.524    90.350   55.439  10.025  57.381  6.6101  -1.941669      12.00806 
1 1 1 -20 -33 34 o 45.110  6.1676  278.757    65.739   398.613    114.969  220.533    80.131   50.105  9.8076  37.763  8.8923  12.34269       13.23869 
1 1 1 -20 -33 35 o 39.332  7.0291  220.204    64.620   327.091    117.126  173.431    77.479   43.548  11.063  32.920  9.2931  10.62765       14.44806 
1 1 1 -20 -33 36 o 23.600  9.5975  73.823     86.181   38.006     139.762  95.798     109.471  24.011  10.928  25.698  10.671  -1.686958      15.27356 
1 1 1 -20 -33 37 o 25.598  9.8927  101.364    87.268   -13.8027   144.585  167.364    109.454  22.369  10.500  30.406  11.227  -8.037148      15.37197 
1 1 1 -20 -33 38 o 28.936  10.477  144.933    94.641   0.0000     0.0000   144.933    94.641   ?       ?       28.936  10.477  0.000000       10.47724 
1 1 1 -20 -33 39 o 15.917  6.9664  5.9728     51.233   98.156     106.222  -21.9729   58.485   25.407  10.527  15.053  6.9321  10.35354       12.60468 
1 1 1 -20 -33 40 o 51.645  7.1329  384.921    86.998   395.681    128.001  375.682    118.604  46.785  11.384  46.519  10.727  0.2659912      15.64155 
1 1 1 -20 -33 41 o 22.558  10.016  48.632     109.540  48.632     109.540  0.0000     0.0000   22.558  10.016  ?       ?       0.000000       10.01604 
1 1 1 -20 -33 42 o 26.093  10.876  116.573    114.347  116.573    114.347  0.0000     0.0000   26.093  10.876  ?       ?       0.000000       10.87618 
1 1 1 -20 -33 43 f 25.828  9.9559  114.428    88.210   89.701     183.824  121.826    100.541  25.622  11.966  26.255  10.475  -0.6330223     15.90341 
1 1 1 -20 -33 44 o 13.160  6.1380  -27.3441   48.112   -93.9138   190.974  -22.8326   49.716   21.503  10.564  13.643  6.3209  7.859646       12.31101 
1 1 1 -20 -33 45 o 17.637  7.6080  22.914     59.293   262.787    185.769  -4.2942    62.565   30.777  13.371  16.198  7.3484  14.57923       15.25720 
1 1 1 -20 -33 46 o 36.325  6.6440  193.454    56.401   361.542    132.033  155.935    62.379   41.060  12.292  31.062  8.1679  9.997871       14.75824 
1 1 1 -20 -33 47 o 24.318  7.2428  91.984     45.929   -77.7573   125.121  118.417    49.375   18.276  8.8861  27.624  7.2683  -9.347584      11.48002 
1 1 1 -20 -33 48 o 22.132  7.4436  76.656     47.258   24.060     123.801  85.627     51.130   21.025  9.8197  23.118  7.7426  -2.092386      12.50501 
1 1 1 -20 -33 49 o 17.267  7.0134  34.492     45.950   -80.2266   127.980  51.469     49.233   18.157  8.8633  19.156  7.4228  -0.9989090     11.56098 
1 1 1 -20 -33 50 f 20.608  7.6917  65.190     51.648   239.670    136.118  35.845     55.822   30.482  12.179  18.006  7.5590  12.47673       14.33440 
1 1 1 -20 -33 51 o 18.281  7.6647  38.593     57.277   12.996     129.676  44.797     63.842   20.568  9.7422  19.114  8.0571  1.453655       12.64234 
1 1 1 -20 -33 52 o 38.404  8.8254  252.407    80.512   0.0000     0.0000   252.407    80.512   ?       ?       38.404  8.8254  0.000000       8.825382 
1 1 1 -20 -33 53 o 16.342  7.5372  -6.9488    69.521   0.0000     0.0000   -6.9488    69.521   ?       ?       16.342  7.5372  0.000000       7.537167 
1 1 1 -20 -33 54 o 14.196  6.8476  -61.2901   70.690   0.0000     0.0000   -61.2901   70.690   ?       ?       14.196  6.8476  0.000000       6.847636 
1 1 1 -20 -33 55 o 25.964  9.7841  129.746    83.963   226.317    187.647  105.571    93.886   27.598  12.599  23.935  9.9057  3.662159       16.02708 
1 1 1 -20 -33 56 o 21.299  8.2005  71.806     59.792   -28.7398   150.589  90.624     65.148   20.257  9.8257  23.063  8.6326  -2.806740      13.07926 
1 1 1 -20 -33 57 o 11.156  5.4641  -73.1782   49.887   -184.0811  134.124  -55.3720   53.743   16.320  8.1578  12.375  5.9696  3.944543       10.10873 
1 1 1 -20 -33 58 f 17.531  8.2301  -10.4277   88.882   79.161     353.432  -16.4760   91.833   23.995  12.144  17.496  8.2603  6.499567       14.68739 
1 1 1 -20 -33 59 o 17.022  8.0001  -11.6734   84.389   -388.2953  324.431  15.658     87.397   ?       ?       18.354  8.4602  0.000000       8.460174 
1 1 1 -20 -33 60 o 16.580  7.9076  -25.5975   88.430   194.783    332.402  -42.3824   91.735   23.742  11.993  16.250  7.8291  7.491728       14.32207 
1 1 1 -20 -32 1  o 14.215  5.9854  14.513     35.170   63.835     78.797   2.2427     39.302   21.071  8.9202  13.650  6.0330  7.420716       10.76883 
1 1 1 -20 -32 2  o 13.624  5.8363  9.2571     34.440   25.733     84.733   5.9966     37.694   19.195  8.6442  13.772  6.0027  5.423249       10.52397 
1 1 1 -20 -32 3  o 16.684  7.0658  24.170     49.470   179.555    114.550  -11.4543   54.849   28.595  11.252  14.768  6.7683  13.82677       13.13117 
1 1 1 -20 -32 4  o 14.352  6.1322  11.275     37.842   -84.2538   115.664  22.726     40.046   17.544  8.5332  15.717  6.4840  1.827040       10.71714 
1 1 1 -20 -32 5  o 21.011  7.7637  65.504     52.359   -10.5589   140.038  77.865     56.453   21.019  10.005  22.371  8.0932  -1.352581      12.86822 
1 1 1 -20 -32 6  o 22.921  7.1717  79.585     44.313   -3.3160    104.016  97.967     48.980   19.577  9.0954  25.162  7.4762  -5.584673      11.77370 
1 1 1 -20 -32 7  o 64.781  4.5949  553.525    71.756   463.566    138.802  586.336    83.827   49.322  11.763  65.836  5.2922  -16.51451      12.89901 
1 1 1 -20 -32 8  o 23.402  7.3333  82.386     46.312   128.338    108.202  72.079     51.243   26.781  10.803  22.036  7.7391  4.745544       13.28884 
1 1 1 -20 -32 9  o 16.299  6.8327  19.823     45.505   139.576    105.655  -7.4501    50.422   27.790  10.845  14.799  6.6660  12.99099       12.72948 
1 1 1 -20 -32 10 o 30.671  5.9091  131.054    42.381   163.173    116.495  126.155    45.499   29.413  11.412  29.688  6.4967  -0.2751732     13.13192 
1 1 1 -20 -32 11 o 9.0300  4.3534  -39.1076   28.480   -28.7543   87.800   -40.3250   30.108   17.870  8.3202  9.3214  4.4895  8.548299       9.454219 
1 1 1 -20 -32 12 o 28.360  6.2643  113.345    41.956   201.201    103.513  96.074     45.895   33.399  11.011  25.605  7.1258  7.794363       13.11535 
1 1 1 -20 -32 13 o 20.809  7.6030  58.384     50.000   -59.3081   98.432   99.312     58.046   17.818  8.4537  25.606  8.2320  -7.787851      11.79960 
1 1 1 -20 -32 14 o 21.984  8.2654  65.332     59.853   -13.3365   153.958  79.338     64.963   23.086  10.836  23.514  8.6549  -0.4275494     13.86826 
1 1 1 -20 -32 15 o 29.076  8.7450  130.836    66.714   150.371    161.723  126.829    73.236   29.502  12.643  28.363  9.2572  1.138975       15.66969 
1 1 1 -20 -32 16 o 30.951  6.2121  132.656    45.031   210.146    134.488  122.871    47.789   33.302  12.415  29.396  6.8304  3.906004       14.17015 
1 1 1 -20 -32 17 o 33.957  5.6824  155.773    45.164   141.114    100.844  159.451    50.513   29.247  10.781  33.941  6.3676  -4.693405      12.52070 
1 1 1 -20 -32 18 o 48.786  4.7338  309.284    55.332   433.800    111.261  268.369    63.778   53.911  8.8099  44.501  6.0644  9.409317       10.69544 
1 1 1 -20 -32 19 o 51.226  6.0044  353.424    73.216   172.050    103.734  533.465    103.352  31.857  11.021  62.000  6.9923  -30.14280      13.05207 
1 1 1 -20 -32 20 o 16.981  6.7687  27.143     41.946   -12.2609   90.488   37.928     47.339   19.308  8.7895  18.642  7.2633  0.6668262      11.40224 
1 1 1 -20 -32 21 o 24.162  7.1896  83.078     45.272   22.652     95.999   100.359    51.339   21.507  9.4711  26.305  7.6100  -4.798384      12.14966 
1 1 1 -20 -32 22 o 21.186  8.4431  50.432     65.252   -92.5196   144.153  87.271     73.179   20.799  9.9678  24.811  9.1763  -4.011835      13.54843 
1 1 1 -20 -32 23 o 35.493  8.9953  191.894    77.567   51.463     161.064  234.299    88.506   26.215  11.851  38.920  9.4637  -12.70466      15.16619 
1 1 1 -20 -32 24 o 40.605  8.4042  242.620    80.074   194.640    168.852  256.540    90.951   32.491  13.349  40.909  9.3648  -8.417934      16.30595 
1 1 1 -20 -32 25 o 38.040  6.5231  198.938    58.041   124.698    166.367  209.226    61.932   29.286  12.688  38.823  6.8235  -9.537039      14.40676 
1 1 1 -20 -32 26 o 68.377  4.4783  599.447    73.890   583.485    132.899  606.589    88.897   62.728  8.9885  67.933  5.4387  -5.204803      10.50587 
1 1 1 -20 -32 27 o 35.774  6.4799  176.107    54.176   306.492    105.130  128.963    63.216   44.168  10.038  29.393  8.4276  14.77460       13.10633 
1 1 1 -20 -32 28 o 45.498  5.4225  273.552    58.684   282.593    112.480  270.171    68.788   41.235  11.028  44.391  6.5861  -3.155594      12.84479 
1 1 1 -20 -32 29 o 41.070  5.9287  226.956    57.371   277.680    111.201  208.558    66.973   40.894  10.977  38.277  7.4792  2.616497       13.28273 
1 1 1 -20 -32 30 o 17.330  7.2844  18.727     51.945   -37.9248   98.897   40.309     61.043   19.015  8.8457  20.026  8.1013  -1.011303      11.99489 
1 1 1 -20 -32 31 o 17.473  7.3866  17.920     53.907   107.885    97.040   -22.2335   64.830   26.963  10.429  16.142  7.3834  10.82095       12.77774 
1 1 1 -20 -32 32 o 17.886  7.4464  23.569     53.511   31.628     98.339   20.179     63.780   22.132  9.6697  18.659  7.9664  3.473043       12.52867 
1 1 1 -20 -32 33 o 51.410  5.7251  352.672    70.204   342.088    121.716  357.948    85.940   45.207  11.163  50.520  7.2157  -5.313797      13.29200 
1 1 1 -20 -32 34 o 53.154  5.5886  375.656    70.999   357.486    124.945  384.321    86.283   46.033  11.276  52.589  6.9307  -6.555939      13.23524 
1 1 1 -20 -32 35 o 32.543  7.7435  155.003    60.259   163.021    111.842  151.723    71.529   30.790  11.353  31.315  8.9604  -0.5255566     14.46274 
1 1 1 -20 -32 36 f 22.688  8.9184  65.953     71.884   -47.6522   136.135  109.876    84.648   21.286  10.052  26.715  9.8714  -5.428940      14.08871 
1 1 1 -20 -32 37 o 31.768  9.4959  161.676    78.842   250.261    139.902  120.449    95.440   35.684  12.761  27.509  10.416  8.175226       16.47217 
1 1 1 -20 -32 38 o 18.749  8.0572  21.323     66.008   50.614     127.724  10.649     77.103   24.205  10.778  19.072  8.4386  5.133806       13.68830 
1 1 1 -20 -32 39 o 21.475  9.6761  16.776     106.338  16.776     106.338  0.0000     0.0000   21.475  9.6761  ?       ?       0.000000       9.676072 
1 1 1 -20 -32 40 o 26.473  10.913  109.258    113.335  109.258    113.335  0.0000     0.0000   26.473  10.913  ?       ?       0.000000       10.91312 
1 1 1 -20 -32 41 o 20.514  9.4287  -2.4644    107.499  -2.4644    107.499  0.0000     0.0000   20.514  9.4287  ?       ?       0.000000       9.428713 
1 1 1 -20 -32 42 o 28.242  8.1410  123.556    58.847   -13.5479   120.971  166.058    67.354   20.826  9.7201  32.582  8.4487  -11.75559      12.87868 
1 1 1 -20 -32 43 o 27.754  8.8914  125.012    67.762   -12.9601   183.686  146.747    72.905   23.517  11.265  29.797  9.1787  -6.280268      14.53115 
1 1 1 -20 -32 44 o 18.435  7.5718  35.115     54.313   -159.1344  178.416  54.955     57.019   20.198  9.9779  20.415  7.9666  -0.2170219     12.76809 
1 1 1 -20 -32 45 o 56.424  7.4322  471.580    99.276   717.692    224.129  411.508    110.731  51.443  16.135  50.024  9.4696  1.419289       18.70818 
1 1 1 -20 -32 46 o 22.549  7.4151  77.053     46.958   89.429     127.429  75.108     50.513   24.477  10.839  22.254  7.6911  2.223194       13.29016 
1 1 1 -20 -32 47 o 16.636  6.9815  23.555     47.589   175.228    121.927  -3.7029    51.688   28.786  11.518  15.020  6.7590  13.76553       13.35470 
1 1 1 -20 -32 48 o 13.099  5.9528  -10.6371   41.280   -144.2439  124.779  5.7827     43.743   16.871  8.3364  14.664  6.4270  2.206904       10.52622 
1 1 1 -20 -32 49 o 8.4071  4.1960  -82.3474   34.877   -202.3109  121.949  -71.6607   36.398   15.501  7.7529  9.0647  4.4834  6.436027       8.955898 
1 1 1 -20 -32 50 o 24.231  7.7437  94.621     51.422   182.171    142.188  81.447     55.156   27.658  11.854  22.530  8.0172  5.128771       14.31058 
1 1 1 -20 -32 51 o 17.117  7.4695  20.367     58.517   0.0000     0.0000   20.367     58.517   ?       ?       17.117  7.4695  0.000000       7.469485 
1 1 1 -20 -32 52 o 19.742  7.9871  53.674     59.341   0.0000     0.0000   53.674     59.341   ?       ?       19.742  7.9871  0.000000       7.987124 
1 1 1 -20 -32 53 o 38.162  8.3687  239.516    75.356   0.0000     0.0000   239.516    75.356   ?       ?       38.162  8.3687  0.000000       8.368685 
1 1 1 -20 -32 54 o 36.213  10.041  245.438    91.306   120.930    192.109  281.770    103.776  24.866  11.801  37.693  10.795  -12.82638      15.99393 
1 1 1 -20 -32 55 o 18.878  8.0900  37.892     66.216   -98.5168   148.512  71.737     73.976   18.877  9.2830  21.640  8.8565  -2.762466      12.83014 
1 1 1 -20 -32 56 o 16.347  7.2040  12.926     55.635   35.041     133.818  8.3041     61.173   21.645  10.141  16.559  7.4095  5.086306       12.55967 
1 1 1 -20 -32 57 o 26.502  8.5405  120.999    62.450   7.9615     144.782  146.837    69.221   21.115  10.084  28.785  8.9565  -7.669569      13.48730 
1 1 1 -20 -32 58 o 21.076  9.2933  58.155     92.721   -147.4117  358.029  72.933     95.996   ?       ?       21.955  9.5741  0.000000       9.574120 
1 1 1 -20 -32 59 f 18.652  8.6283  11.604     92.112   299.142    331.212  -12.4988   95.895   26.176  13.043  17.928  8.4573  8.247543       15.54470 
1 1 1 -20 -32 60 o 20.221  9.1340  49.156     95.450   379.687    341.402  21.129     99.414   26.146  13.062  19.157  8.8976  6.989151       15.80421 
1 1 1 -20 -31 1  o 14.933  6.1803  18.937     36.548   -24.1945   111.093  24.172     38.703   18.935  8.9828  15.713  6.4156  3.221828       11.03861 
1 1 1 -20 -31 2  f 23.454  6.7474  82.762     40.461   104.943    91.611   77.387     45.098   24.570  9.9298  22.468  7.2594  2.101366       12.30039 
1 1 1 -20 -31 3  o 21.505  7.7099  69.414     51.098   -9.8946    95.316   101.400    60.532   18.708  8.6967  24.957  8.4241  -6.249098      12.10777 
1 1 1 -20 -31 4  o 17.834  7.4113  30.971     52.869   -90.1732   117.248  61.889     59.232   17.827  8.6524  20.994  8.1399  -3.167103      11.87949 
1 1 1 -20 -31 5  o 22.874  6.9104  77.430     41.591   142.833    101.137  64.118     45.627   27.857  10.680  21.023  7.3072  6.833733       12.94063 
1 1 1 -20 -31 6  o 31.284  6.2601  138.868    45.859   193.096    105.238  126.157    50.952   31.875  11.097  29.067  7.2489  2.808338       13.25442 
1 1 1 -20 -31 7  o 12.118  5.5207  -14.1865   35.782   16.253     81.645   -21.4233   39.809   19.415  8.6325  12.324  5.6908  7.091259       10.33950 
1 1 1 -20 -31 8  o 7.9247  3.9831  -96.4222   34.196   -46.1016   92.677   -104.3528  36.792   17.640  8.3191  8.1838  4.1157  9.455792       9.281466 
1 1 1 -20 -31 9  o 18.363  6.3515  44.650     34.452   -10.1950   105.243  51.232     36.461   20.142  9.2841  19.387  6.5381  0.7542992      11.35519 
1 1 1 -20 -31 10 o 14.321  5.7497  17.219     30.495   -117.1320  91.551   33.986     32.343   15.392  7.5095  16.745  6.1154  -1.353746      9.684583 
1 1 1 -20 -31 11 o 12.542  5.4712  -0.6950    31.374   -16.4098   87.705   1.6110     33.597   18.662  8.5550  13.155  5.7008  5.506511       10.28045 
1 1 1 -20 -31 12 o 10.089  4.7633  -29.8349   30.531   29.512     92.804   -37.0375   32.331   21.453  9.3829  10.035  4.7848  11.41851       10.53250 
1 1 1 -20 -31 13 o 23.057  6.5191  74.618     38.096   58.430     100.164  77.356     41.192   23.614  10.030  23.380  6.8319  0.2343693      12.13595 
1 1 1 -20 -31 14 o 19.731  7.8923  40.969     57.225   163.829    148.259  19.461     62.032   30.711  12.550  18.413  7.8589  12.29770       14.80757 
1 1 1 -20 -31 15 o 42.951  7.4866  261.803    75.186   362.539    148.572  227.124    87.172   44.128  12.998  38.277  9.4440  5.851429       16.06655 
1 1 1 -20 -31 16 o 72.127  6.1030  696.748    105.807  722.417    184.584  684.186    129.126  65.465  12.065  69.491  7.7924  -4.025223      14.36251 
1 1 1 -20 -31 17 o 25.129  6.8620  88.964     43.018   130.104    125.798  83.517     45.778   29.023  11.669  24.277  7.2310  4.745758       13.72760 
1 1 1 -20 -31 18 o 17.555  6.4978  35.870     36.708   81.158     74.071   21.127     42.262   24.409  9.1914  16.462  6.7108  7.946974       11.38052 
1 1 1 -20 -31 19 o 21.604  7.4185  62.869     46.958   132.839    77.773   22.728     58.907   29.412  9.5363  18.477  7.7613  10.93508       12.29551 
1 1 1 -20 -31 20 o 45.226  5.0077  266.278    54.031   184.734    100.190  299.719    64.161   33.602  10.816  47.571  5.6703  -13.96960      12.21255 
1 1 1 -20 -31 21 o 45.461  5.1655  270.015    55.968   220.614    105.312  289.459    66.071   36.602  10.982  46.538  5.9902  -9.936005      12.50988 
1 1 1 -20 -31 22 o 20.617  7.3130  54.956     45.857   76.430     98.087   48.950     51.875   25.105  10.228  20.294  7.6803  4.810183       12.79022 
1 1 1 -20 -31 23 o 16.735  7.5320  -12.4552   64.230   45.387     152.187  -24.9911   70.849   26.035  11.666  16.848  7.7109  9.187237       13.98392 
1 1 1 -20 -31 24 o 40.892  8.3672  242.776    80.221   233.093    167.738  245.648    91.345   35.188  13.683  40.159  9.5194  -4.970917      16.66843 
1 1 1 -20 -31 25 o 27.052  9.0723  107.746    70.200   61.143     148.331  121.197    79.689   26.530  11.723  28.344  9.6652  -1.814585      15.19377 
1 1 1 -20 -31 26 o 31.882  6.8849  141.554    51.702   95.635     101.195  157.774    60.145   26.560  10.537  33.257  7.6172  -6.696381      13.00156 
1 1 1 -20 -31 27 o 39.314  6.0335  207.508    55.717   73.960     101.763  264.681    66.584   25.139  10.349  44.239  6.3880  -19.10006      12.16217 
1 1 1 -20 -31 28 o 9.1538  4.5927  -121.1708  44.412   -180.1031  85.592   -99.4585   51.953   13.444  6.6878  11.043  5.4422  2.400708       8.622280 
1 1 1 -20 -31 29 o 16.680  7.1940  7.7927     52.994   27.906     98.465   -0.4093    62.878   22.227  9.6946  17.309  7.6415  4.918310       12.34412 
1 1 1 -20 -31 30 o 55.616  5.3619  404.774    71.461   328.765    124.464  442.151    87.280   44.539  11.453  57.303  6.3860  -12.76364      13.11288 
1 1 1 -20 -31 31 o 44.876  6.0695  270.082    64.393   270.969    113.138  269.656    78.314   40.515  11.155  43.664  7.6718  -3.148876      13.53861 
1 1 1 -20 -31 32 o 21.078  8.0621  53.300     57.547   83.817     104.115  39.875     69.054   25.763  10.521  20.734  8.5295  5.028198       13.54423 
1 1 1 -20 -31 33 o 11.975  5.7597  -61.9217   49.132   -103.6209  94.407   -46.4320   57.539   16.381  7.9044  13.991  6.5851  2.390318       10.28798 
1 1 1 -20 -31 34 o 31.449  7.4463  141.500    55.943   128.037    108.994  146.315    65.183   28.750  11.071  31.395  8.3944  -2.644840      13.89379 
1 1 1 -20 -31 35 o 80.032  4.9062  828.620    94.814   963.101    201.027  790.146    107.525  77.569  10.988  77.227  5.7801  0.3416061      12.41568 
1 1 1 -20 -31 36 o 43.975  6.1456  261.603    63.782   379.379    120.686  215.958    75.132   48.715  10.518  38.292  8.3238  10.42273       13.41326 
1 1 1 -20 -31 37 o 13.962  6.6851  -68.3296   64.522   58.834     126.860  -112.7036  74.939   25.018  10.956  13.797  6.7452  11.22093       12.86549 
1 1 1 -20 -31 38 o 20.855  9.7230  -31.9440   120.524  -31.9440   120.524  0.0000     0.0000   20.855  9.7230  ?       ?       0.000000       9.723006 
1 1 1 -20 -31 39 o 27.773  11.950  111.162    145.543  111.162    145.543  0.0000     0.0000   27.773  11.950  ?       ?       0.000000       11.95040 
1 1 1 -20 -31 40 o 30.577  11.519  164.876    116.362  164.876    116.362  0.0000     0.0000   30.577  11.519  ?       ?       0.000000       11.51907 
1 1 1 -20 -31 41 o 19.347  7.7483  40.550     55.233   49.049     116.621  38.092     62.713   23.591  10.411  19.702  8.1195  3.888487       13.20302 
1 1 1 -20 -31 42 o 26.465  7.3426  103.184    48.808   166.614    121.482  90.975     53.298   30.147  11.666  24.695  7.8828  5.452215       14.07960 
1 1 1 -20 -31 43 o 12.518  5.7639  -20.6623   40.421   -113.7116  114.167  -7.3271    43.220   17.448  8.4843  13.892  6.2214  3.555275       10.52087 
1 1 1 -20 -31 44 o 18.481  7.6576  32.208     56.201   -50.6086   178.444  41.328     59.215   22.667  10.920  19.481  7.9427  3.186365       13.50337 
1 1 1 -20 -31 45 o 20.810  8.4005  53.816     65.484   74.904     202.150  51.344     69.216   26.118  12.308  20.806  8.5470  5.312376       14.98475 
1 1 1 -20 -31 46 o 25.525  7.4818  99.116     49.333   187.500    129.536  84.121     53.354   30.135  11.932  23.475  7.9090  6.660135       14.31495 
1 1 1 -20 -31 47 o 11.088  5.3142  -45.6173   40.990   30.306     121.378  -55.3904   43.548   21.981  10.072  11.069  5.3481  10.91145       11.40379 
1 1 1 -20 -31 48 o 13.868  6.1901  -3.2822    42.415   -103.7203  119.681  11.145     45.359   17.601  8.5870  15.385  6.6454  2.215771       10.85814 
1 1 1 -20 -31 49 o 28.163  7.4137  122.684    51.355   160.136    135.077  116.355    55.524   27.492  11.661  26.965  7.9469  0.5271626      14.11157 
1 1 1 -20 -31 50 o 34.111  7.4298  178.901    59.754   0.0000     0.0000   178.901    59.754   ?       ?       34.111  7.4298  0.000000       7.429814 
1 1 1 -20 -31 51 o 18.056  7.8818  24.789     65.203   0.0000     0.0000   24.789     65.203   ?       ?       18.056  7.8818  0.000000       7.881780 
1 1 1 -20 -31 52 o 22.110  8.3889  77.504     61.991   0.0000     0.0000   77.504     61.991   ?       ?       22.110  8.3889  0.000000       8.388929 
1 1 1 -20 -31 53 o 19.420  7.9310  48.846     59.165   202.227    146.433  18.922     64.679   28.518  12.121  17.574  7.7548  10.94374       14.38924 
1 1 1 -20 -31 54 o 21.439  8.8215  67.806     73.884   -79.5973   147.689  117.012    85.330   19.333  9.4551  25.225  9.7728  -5.892271      13.59803 
1 1 1 -20 -31 55 o 20.177  8.5084  51.315     71.237   192.659    150.822  10.727     80.820   28.008  12.108  18.326  8.3286  9.681738       14.69574 
1 1 1 -20 -31 56 o 31.152  8.4246  161.296    65.211   344.709    155.953  122.432    71.789   35.916  13.374  26.295  9.1643  9.621031       16.21220 
1 1 1 -20 -31 57 o 15.937  7.1336  4.1361     56.756   -39.9769   146.698  11.901     61.549   20.207  9.7759  16.884  7.5017  3.323053       12.32246 
1 1 1 -20 -31 58 o 14.624  7.0392  -60.7469   73.738   -72.6960   131.713  -55.2922   88.991   18.601  9.0603  16.224  7.7902  2.376579       11.94892 
1 1 1 -20 -31 59 o 15.722  7.6618  -83.8015   94.517   348.606    329.523  -122.5656  98.663   27.472  13.570  15.084  7.4458  12.38816       15.47814 
1 1 1 -20 -31 60 o 19.513  8.9856  25.174     98.258   -33.3989   338.289  30.570     102.685  23.098  11.711  19.924  9.1789  3.174623       14.87920 
1 1 1 -20 -30 1  o 11.342  5.0923  -7.2222    29.154   222.281    100.119  -28.4850   30.474   34.082  10.796  10.022  4.7399  24.05927       11.79067 
1 1 1 -20 -30 2  o 30.244  6.0933  129.933    43.169   79.029     94.349   143.412    48.549   23.397  9.8249  31.447  6.5742  -8.050737      11.82157 
1 1 1 -20 -30 3  o 34.613  5.7134  165.680    46.310   125.949    100.374  176.424    52.197   26.788  10.536  35.265  6.3329  -8.476776      12.29270 
1 1 1 -20 -30 4  o 24.721  8.3172  94.606     59.003   276.245    123.602  41.000     67.147   37.323  12.014  19.920  8.3214  17.40293       14.61436 
1 1 1 -20 -30 5  o 31.112  6.4625  137.499    47.191   186.493    130.244  130.095    50.632   30.771  12.031  29.795  7.1037  0.9761372      13.97205 
1 1 1 -20 -30 6  o 16.060  6.3076  26.369     35.930   -8.6875    82.904   34.476     39.868   18.416  8.3947  17.394  6.6965  1.021362       10.73845 
1 1 1 -20 -30 7  o 27.925  6.6143  111.013    44.127   173.653    92.491   92.554     50.210   31.887  10.403  25.032  7.5996  6.854790       12.88315 
1 1 1 -20 -30 8  o 27.763  6.2636  107.769    41.191   250.753    109.420  84.160     44.462   37.875  11.154  24.166  7.1084  13.70917       13.22662 
1 1 1 -20 -30 9  o 39.204  5.0162  202.450    46.622   335.214    114.728  176.189    51.025   45.111  10.652  35.899  6.0745  9.211552       12.26231 
1 1 1 -20 -30 10 o 27.237  6.0354  102.226    38.837   124.296    96.693   97.980     42.409   28.088  10.516  26.368  6.6342  1.719908       12.43393 
1 1 1 -20 -30 11 o 13.433  5.6762  6.7514     31.811   24.862     89.659   4.1432     34.025   21.181  9.2443  13.543  5.8014  7.637671       10.91388 
1 1 1 -20 -30 12 f 22.811  6.4304  72.228     37.124   17.906     95.118   81.990     40.321   21.284  9.3975  24.196  6.6584  -2.912004      11.51726 
1 1 1 -20 -30 13 o 35.785  5.7811  171.734    48.486   294.606    151.251  157.661    51.188   39.371  13.316  33.868  6.4647  5.502247       14.80245 
1 1 1 -20 -30 14 o 17.810  6.4166  38.422     35.434   23.377     91.054   41.107     38.467   21.386  9.3253  18.400  6.6770  2.985374       11.46920 
1 1 1 -20 -30 15 o 44.317  7.2407  273.112    75.170   720.201    142.216  99.779     88.551   70.857  8.4378  26.504  10.033  44.35253       13.10978 
1 1 1 -20 -30 16 o 25.671  8.4771  94.649     61.348   179.014    121.693  65.904     71.035   32.680  11.873  23.082  8.9239  9.598291       14.85302 
1 1 1 -20 -30 17 f 12.685  5.9579  -39.4539   46.664   -32.7376   103.053  -41.1862   52.338   19.840  9.1596  13.517  6.3360  6.322821       11.13746 
1 1 1 -20 -30 18 o 15.206  6.1098  18.286     34.465   -0.4927    70.110   24.270     39.578   18.183  8.0460  16.544  6.5810  1.638956       10.39464 
1 1 1 -20 -30 19 o 28.842  6.2400  113.488    42.399   60.716     81.591   133.010    49.626   23.327  9.3909  31.000  6.7858  -7.672773      11.58600 
1 1 1 -20 -30 20 o 15.161  6.1380  17.040     35.072   55.103     72.271   5.3149     40.111   22.337  8.8907  14.736  6.3053  7.600469       10.89958 
1 1 1 -20 -30 21 o 13.354  5.9990  -12.3808   40.517   37.116     86.660   -26.2273   45.835   22.073  9.3502  13.327  6.1372  8.745410       11.18440 
1 1 1 -20 -30 22 o 45.179  5.2949  266.324    56.944   357.527    106.072  229.397    67.495   49.301  9.2056  40.813  7.0719  8.488159       11.60840 
1 1 1 -20 -30 23 o 19.761  8.4300  21.343     71.312   32.109     144.619  17.884     81.970   25.464  11.394  20.519  8.8982  4.944771       14.45661 
1 1 1 -20 -30 24 o 19.811  8.3947  23.974     69.886   -77.8061   147.769  53.299     79.318   21.949  10.397  22.691  9.2153  -0.7412853     13.89342 
1 1 1 -20 -30 25 o 20.444  8.5960  29.669     72.373   52.304     151.187  22.941     82.431   26.614  11.794  20.873  8.9874  5.740709       14.82835 
1 1 1 -20 -30 26 o 23.148  9.0900  62.807     74.607   73.915     146.379  58.908     86.716   27.332  11.872  23.562  9.6098  3.769415       15.27371 
1 1 1 -20 -30 27 o 33.576  7.2208  157.333    57.079   160.947    100.730  155.624    69.274   31.917  10.867  32.555  8.6301  -0.6374588     13.87674 
1 1 1 -20 -30 28 o 48.806  5.5315  312.168    64.349   264.814    113.560  334.565    78.098   40.433  11.194  49.774  6.6315  -9.341427      13.01047 
1 1 1 -20 -30 29 o 22.466  7.9361  66.733     53.951   103.075    99.179   51.459     64.296   27.255  10.543  21.513  8.4415  5.742842       13.50575 
1 1 1 -20 -30 30 o 17.924  7.4667  21.070     53.848   -22.3073   98.245   39.697     64.380   19.917  9.1020  20.501  8.3105  -0.5840511     12.32522 
1 1 1 -20 -30 31 o 39.844  6.5868  215.780    61.454   270.097    109.201  190.605    74.344   41.167  10.798  36.066  8.6139  5.101650       13.81305 
1 1 1 -20 -30 32 o 23.086  7.7466  73.010     51.183   122.748    100.085  55.395     59.561   28.680  10.707  21.531  8.2099  7.149778       13.49212 
1 1 1 -20 -30 33 o 14.758  6.6071  -10.9797   48.705   2.7856     97.571   -15.5481   56.209   20.963  9.3707  15.545  7.0166  5.418863       11.70658 
1 1 1 -20 -30 34 o 33.142  7.3888  155.116    57.901   140.517    107.623  161.063    68.690   29.984  11.120  33.074  8.5100  -3.090406      14.00306 
1 1 1 -20 -30 35 o 20.256  7.7526  47.480     53.235   1.2011     104.483  63.706     61.867   21.372  9.6140  22.399  8.4069  -1.027885      12.77126 
1 1 1 -20 -30 36 o 24.113  8.0222  81.890     54.903   53.416     107.333  91.981     63.895   24.152  10.324  25.332  8.6545  -1.180029      13.47146 
1 1 1 -20 -30 37 o 25.048  10.971  52.384     127.256  52.384     127.256  0.0000     0.0000   25.048  10.971  ?       ?       0.000000       10.97053 
1 1 1 -20 -30 38 o 27.552  11.809  96.342     141.143  96.342     141.143  0.0000     0.0000   27.552  11.809  ?       ?       0.000000       11.80931 
1 1 1 -20 -30 39 o 22.221  10.319  -22.5663   133.638  -22.5663   133.638  0.0000     0.0000   22.221  10.319  ?       ?       0.000000       10.31899 
1 1 1 -20 -30 40 f 23.309  8.3536  75.770     59.982   -44.6652   106.549  131.648    72.575   19.364  9.0652  29.181  9.1859  -9.817162      12.90577 
1 1 1 -20 -30 41 o 42.195  5.7832  239.578    57.651   359.943    124.475  206.707    65.049   46.159  11.223  38.076  7.3066  8.083080       13.39159 
1 1 1 -20 -30 42 o 32.559  6.6584  149.138    50.829   112.865    118.942  157.242    56.221   27.230  11.197  33.075  7.2089  -5.845613      13.31705 
1 1 1 -20 -30 43 o 35.695  6.3279  176.964    52.799   106.148    122.483  193.126    58.515   26.699  11.202  37.000  6.7673  -10.30060      13.08755 
1 1 1 -20 -30 44 f 40.637  8.5932  252.689    82.082   219.273    215.235  258.376    88.792   31.403  13.986  40.407  9.2553  -9.004007      16.77119 
1 1 1 -20 -30 45 o 21.264  8.4411  57.339     64.987   -7.6222    201.705  64.863     68.647   24.636  11.802  22.071  8.7027  2.565142       14.66405 
1 1 1 -20 -30 46 o 36.558  8.7706  211.283    76.803   301.171    204.094  196.454    82.896   33.739  14.324  34.314  9.5865  -0.5751686     17.23575 
1 1 1 -20 -30 47 o 35.839  6.8020  185.502    56.987   104.185    139.352  201.832    62.448   25.903  11.409  37.067  7.2027  -11.16479      13.49216 
1 1 1 -20 -30 48 o 32.750  7.2910  160.347    56.449   242.627    136.613  143.407    61.988   33.128  12.481  30.080  8.2468  3.047270       14.95940 
1 1 1 -20 -30 49 o 16.931  7.0315  25.979     47.547   0.0000     0.0000   25.979     47.547   ?       ?       16.931  7.0315  0.000000       7.031478 
1 1 1 -20 -30 50 o 25.808  7.9409  106.022    54.585   0.0000     0.0000   106.022    54.585   ?       ?       25.808  7.9409  0.000000       7.940910 
1 1 1 -20 -30 51 o 31.832  9.0429  173.077    73.124   0.0000     0.0000   173.077    73.124   ?       ?       31.832  9.0429  0.000000       9.042920 
1 1 1 -20 -30 52 o 21.007  8.1583  64.795     59.574   133.900    135.346  48.189     66.347   25.965  11.344  19.857  8.2814  6.108183       14.04560 
1 1 1 -20 -30 53 o 10.253  5.1057  -107.0978  50.442   -13.7427   142.550  -120.4601  53.931   20.853  9.9719  10.396  5.1930  10.45729       11.24298 
1 1 1 -20 -30 54 o 16.938  7.7044  -0.2394    69.354   -114.0823  160.839  25.762     76.867   19.419  9.5709  18.948  8.4029  0.4710426      12.73620 
1 1 1 -20 -30 55 o 30.545  9.9070  173.358    83.931   -119.1143  175.451  260.147    95.576   19.988  9.8782  37.586  10.214  -17.59726      14.20898 
1 1 1 -20 -30 56 o 13.704  6.3001  -16.1224   48.026   -348.6760  145.428  24.586     50.881   15.130  7.6715  16.944  7.1703  -1.813736      10.50074 
1 1 1 -20 -30 57 o 27.029  8.3788  121.309    60.643   192.033    166.771  110.533    65.100   27.982  12.395  25.543  8.7357  2.439293       15.16368 
1 1 1 -20 -30 58 o 18.731  7.7138  41.577     56.552   139.756    154.720  26.438     60.756   25.930  11.679  17.840  7.6984  8.090733       13.98781 
1 1 1 -20 -30 59 o 31.360  11.269  213.993    109.234  293.126    366.790  206.292    114.426  27.141  13.555  30.352  11.425  -3.211830      17.72796 
1 1 1 -20 -30 60 o 28.415  11.228  184.988    114.493  285.922    297.117  167.386    124.075  26.968  13.235  26.922  11.284  0.4641724E-01  17.39252 
1 1 1 -20 -30 61 o 34.665  11.933  291.668    121.548  164.289    312.130  314.437    131.965  24.587  12.313  34.870  12.402  -10.28318      17.47620 
1 1 1 -20 -29 1  o 19.179  7.7024  42.655     54.747   0.0000     0.0000   42.655     54.747   ?       ?       19.179  7.7024  0.000000       7.702410 
1 1 1 -20 -29 2  o 14.692  5.7935  20.954     30.424   -76.1180   77.438   38.672     33.084   14.974  7.2089  17.347  6.2054  -2.373486      9.511831 
1 1 1 -20 -29 3  o 20.374  6.6573  58.139     37.873   -0.9206    89.295   71.093     41.820   19.274  8.7574  22.211  6.9700  -2.936827      11.19255 
1 1 1 -20 -29 4  o 13.615  6.2529  -21.0248   47.151   22.234     82.966   -41.6624   57.305   20.107  8.8309  13.977  6.5764  6.130224       11.01060 
1 1 1 -20 -29 5  o 28.904  8.5775  128.704    64.501   197.963    131.882  106.929    73.949   32.300  12.241  26.298  9.2911  6.002167       15.36734 
1 1 1 -20 -29 6  o 24.543  6.6727  85.427     40.782   128.679    85.430   72.661     46.412   28.355  9.9898  22.629  7.3686  5.726280       12.41335 
1 1 1 -20 -29 7  o 38.876  4.7539  197.183    43.909   132.746    98.262   213.260    49.081   28.746  10.633  40.214  5.1482  -11.46815      11.81371 
1 1 1 -20 -29 8  o 41.137  4.7191  219.825    46.251   63.869     105.200  257.192    51.495   24.369  10.311  44.448  4.8536  -20.07853      11.39644 
1 1 1 -20 -29 9  o 14.365  5.7628  16.405     30.609   0.1122     85.350   18.810     32.790   19.576  8.7563  14.969  5.9789  4.606643       10.60281 
1 1 1 -20 -29 10 o 10.886  4.9841  -16.6872   29.642   45.610     85.668   -25.1599   31.594   22.341  9.3708  10.681  4.9792  11.65963       10.61154 
1 1 1 -20 -29 11 o 20.900  6.6164  59.137     37.609   0.0000     0.0000   59.137     37.609   ?       ?       20.900  6.6164  0.000000       6.616414 
1 1 1 -20 -29 12 o 38.699  5.0999  195.586    46.721   299.886    106.615  170.795    51.978   43.965  10.193  35.506  6.2621  8.458195       11.96267 
1 1 1 -20 -29 13 o 24.987  6.6396  86.487     40.941   41.205     134.178  91.135     42.991   25.201  11.142  25.589  6.8057  -0.3881111     13.05645 
1 1 1 -20 -29 14 o 14.587  5.9187  15.055     32.687   -49.0289   85.557   26.007     35.370   17.512  8.1737  16.262  6.2943  1.250561       10.31638 
1 1 1 -20 -29 15 f 38.728  6.4341  202.711    58.339   155.221    85.479   244.122    79.820   31.798  9.9625  41.308  8.2524  -9.510193      12.93652 
1 1 1 -20 -29 16 o 31.295  8.2422  141.630    63.454   99.317     122.411  157.177    74.202   27.813  11.389  32.510  9.0655  -4.696655      14.55651 
1 1 1 -20 -29 17 o 24.096  8.2161  79.593     57.584   72.788     112.999  81.981     66.926   25.925  10.810  24.604  8.8232  1.321423       13.95332 
1 1 1 -20 -29 18 o 40.634  5.3212  215.568    51.204   364.180    130.343  188.449    55.680   47.732  11.409  37.402  6.3633  10.33044       13.06377 
1 1 1 -20 -29 19 o 59.615  4.2274  449.861    60.752   329.527    107.306  506.629    73.702   46.999  9.7301  62.863  4.8700  -15.86403      10.88083 
1 1 1 -20 -29 20 o 39.540  5.0444  202.712    47.292   308.963    88.513   160.262    55.948   46.866  8.0753  34.106  6.9954  12.75993       10.68387 
1 1 1 -20 -29 21 o 50.024  4.8124  321.145    57.691   401.162    97.759   278.387    71.461   53.838  7.7029  45.429  6.6826  8.409081       10.19767 
1 1 1 -20 -29 22 o 83.070  4.2345  871.308    85.069   930.397    146.448  841.217    104.508  82.669  7.3785  80.670  5.3699  1.999191       9.125636 
1 1 1 -20 -29 23 f 52.630  4.8792  355.643    61.601   262.031    112.637  395.591    73.579   40.593  11.111  55.073  5.5834  -14.47997      12.43540 
1 1 1 -20 -29 24 o 16.060  7.4142  -35.5674   67.513   114.305    142.798  -78.7119   76.617   29.465  12.207  15.379  7.3421  14.08601       14.24502 
1 1 1 -20 -29 25 o 21.923  8.8671  47.199     73.113   -262.5009  143.241  156.310    85.022   17.577  8.7285  32.115  9.9154  -14.53769      13.20986 
1 1 1 -20 -29 26 o 62.749  7.0698  532.935    105.765  469.802    191.663  560.578    126.823  50.060  14.768  62.971  8.5189  -12.91113      17.04893 
1 1 1 -20 -29 27 o 84.587  4.9003  915.117    100.144  775.886    200.776  961.227    115.542  69.179  12.418  86.067  5.5625  -16.88836      13.60647 
1 1 1 -20 -29 28 o 56.402  5.1970  411.053    70.322   399.535    117.313  417.512    87.856   52.011  9.6511  55.827  6.6144  -3.816193      11.70018 
1 1 1 -20 -29 29 o 37.126  6.9965  189.086    60.715   69.781     106.566  246.424    73.878   25.516  10.556  42.169  7.4949  -16.65347      12.94622 
1 1 1 -20 -29 30 o 65.566  4.7064  548.869    74.375   540.457    128.309  553.126    91.273   61.418  8.8666  64.954  5.8542  -3.535919      10.62488 
1 1 1 -20 -29 31 o 44.785  5.7241  263.855    60.778   290.866    112.187  252.634    72.309   43.119  10.758  42.882  7.2051  0.2372894      12.94792 
1 1 1 -20 -29 32 o 28.607  7.6286  115.882    53.923   134.019    102.969  109.028    63.296   29.829  10.909  27.501  8.5658  2.327412       13.87001 
1 1 1 -20 -29 33 o 32.972  7.1434  151.090    55.497   118.460    103.487  164.263    65.751   28.606  10.842  33.838  8.1132  -5.232258      13.54187 
1 1 1 -20 -29 34 o 48.121  5.6518  304.177    64.735   318.736    118.459  297.977    77.298   44.855  10.974  46.684  7.0429  -1.829891      13.03978 
1 1 1 -20 -29 35 o 12.352  5.9300  -63.6512   51.514   -7.3583    92.387   -89.0492   62.056   20.097  9.0405  12.980  6.2988  7.116742       11.01844 
1 1 1 -20 -29 36 o 26.624  10.778  90.268     108.131  90.268     108.131  0.0000     0.0000   26.624  10.778  ?       ?       0.000000       10.77810 
1 1 1 -20 -29 37 o 43.417  11.313  307.688    120.385  307.688    120.385  0.0000     0.0000   43.417  11.313  ?       ?       0.000000       11.31339 
1 1 1 -20 -29 38 o 26.644  11.569  71.493     138.895  71.493     138.895  0.0000     0.0000   26.644  11.569  ?       ?       0.000000       11.56855 
1 1 1 -20 -29 39 o 17.150  8.0299  -50.0627   83.660   -123.8060  131.563  -0.0005    108.399  19.268  9.3056  21.569  9.7392  -2.301266      13.47024 
1 1 1 -20 -29 40 o 11.639  5.3022  -15.9048   33.007   -55.8340   106.750  -11.6838   34.708   19.144  8.9976  12.299  5.5362  6.844424       10.56441 
1 1 1 -20 -29 41 o 41.568  5.9318  232.323    58.132   323.926    131.314  209.994    64.831   42.960  12.088  38.647  7.1778  4.312866       14.05857 
1 1 1 -20 -29 42 o 44.669  5.6396  266.194    59.763   448.674    131.117  218.341    67.143   52.860  10.592  39.227  7.3235  13.63229       12.87716 
1 1 1 -20 -29 43 o 27.695  7.4068  111.504    50.740   33.574     121.820  127.862    55.812   23.432  10.473  29.495  7.7116  -6.063099      13.00555 
1 1 1 -20 -29 44 o 30.178  9.0159  142.817    71.086   -97.6755   205.926  175.352    75.742   23.556  11.441  33.419  9.0967  -9.863293      14.61650 
1 1 1 -20 -29 45 o 24.434  8.4501  89.050     60.978   -179.6460  185.357  121.659    64.572   20.887  10.290  27.998  8.6405  -7.111128      13.43681 
1 1 1 -20 -29 46 o 24.681  9.0097  92.576     70.191   190.254    192.697  77.633     75.369   30.362  13.392  23.437  9.1556  6.924789       16.22255 
1 1 1 -20 -29 47 o 17.103  6.9851  27.049     45.897   68.754     123.224  20.331     49.456   24.292  10.712  16.857  7.0978  7.435240       12.85038 
1 1 1 -20 -29 48 o 12.737  5.9747  -33.1353   46.682   0.0000     0.0000   -33.1353   46.682   ?       ?       12.737  5.9747  0.000000       5.974673 
1 1 1 -20 -29 49 o 19.088  7.4437  45.476     49.755   0.0000     0.0000   45.476     49.755   ?       ?       19.088  7.4437  0.000000       7.443720 
1 1 1 -20 -29 50 o 24.015  7.9122  89.674     53.454   0.0000     0.0000   89.674     53.454   ?       ?       24.015  7.9122  0.000000       7.912161 
1 1 1 -20 -29 51 o 15.683  6.8752  8.0042     50.085   207.386    130.410  -26.4938   54.246   30.619  12.020  14.041  6.5384  16.57789       13.68306 
1 1 1 -20 -29 52 o 17.530  7.8007  11.750     66.802   84.713     139.066  -10.1362   76.164   24.231  10.978  17.176  7.9102  7.054901       13.53102 
1 1 1 -20 -29 53 o 23.056  8.3968  84.601     60.914   259.167    154.683  52.560     66.269   31.835  12.890  20.271  8.3493  11.56359       15.35771 
1 1 1 -20 -29 54 o 22.539  9.0765  78.059     76.247   182.655    169.385  51.479     85.387   27.801  12.393  21.019  9.0984  6.781889       15.37409 
1 1 1 -20 -29 55 o 25.353  9.6231  112.958    81.594   316.668    187.845  65.584     90.586   32.598  13.785  22.060  9.4582  10.53864       16.71781 
1 1 1 -20 -29 56 o 9.6409  4.8504  -137.1905  51.388   -21.4493   154.222  -151.6463  54.503   21.341  10.249  9.7592  4.9207  11.58139       11.36911 
1 1 1 -20 -29 57 f 13.614  6.3397  -25.5035   51.005   -55.6805   143.493  -21.1393   54.569   20.036  9.6870  14.320  6.6302  5.716011       11.73876 
1 1 1 -20 -29 58 o 22.921  8.5284  83.737     63.400   159.521    148.671  66.892     70.092   27.125  11.870  21.515  8.6890  5.610092       14.70999 
1 1 1 -20 -29 59 o 23.768  10.415  91.296     114.833  305.578    262.088  40.387     127.748  29.138  13.816  21.949  10.156  7.188519       17.14699 
1 1 1 -20 -29 60 o 22.529  10.098  71.396     114.133  149.521    265.384  53.667     126.422  25.675  12.582  22.109  10.185  3.565773       16.18762 
1 1 1 -20 -29 61 o 31.096  11.553  228.315    116.248  310.796    284.749  211.819    127.343  27.264  13.289  29.135  11.731  -1.871595      17.72617 
1 1 1 -20 -28 1  f 12.396  5.7403  -24.0433   40.925   0.0000     0.0000   -24.0433   40.925   ?       ?       12.396  5.7403  0.000000       5.740299 
1 1 1 -20 -28 2  o 23.018  6.3104  74.792     36.296   162.792    121.351  66.146     38.038   30.040  11.650  21.641  6.6239  8.398970       13.40132 
1 1 1 -20 -28 3  o 15.617  5.9509  26.230     31.280   -17.2396   79.955   34.086     33.989   17.911  8.1953  16.940  6.2560  0.9713135      10.31021 
1 1 1 -20 -28 4  o 14.484  6.4686  -7.6977    46.384   -102.6277  83.269   35.008     55.851   15.049  7.3011  19.034  7.7319  -3.985819      10.63429 
1 1 1 -20 -28 5  o 15.760  6.9990  -4.3974    53.515   11.264     110.645  -9.1799    61.142   21.972  9.8878  16.425  7.3744  5.546957       12.33495 
1 1 1 -20 -28 6  o 39.962  5.1859  209.933    49.100   316.847    141.565  195.313    52.349   41.596  12.786  38.145  5.8421  3.450836       14.05788 
1 1 1 -20 -28 7  o 17.945  6.2007  40.667     32.831   29.957     85.097   42.540     35.586   21.314  9.1536  18.392  6.4499  2.921724       11.19775 
1 1 1 -20 -28 8  o 28.230  5.8613  107.822    38.834   190.756    119.760  98.077     41.053   33.589  11.828  26.654  6.4233  6.935280       13.46001 
1 1 1 -20 -28 9  o 31.326  5.5070  130.460    40.330   99.972     93.043   137.513    44.753   26.772  10.249  31.937  5.9953  -5.164955      11.87346 
1 1 1 -20 -28 10 f 31.649  5.5325  132.998    40.939   183.447    97.512   122.203    45.107   33.995  10.639  29.894  6.4110  4.101248       12.42140 
1 1 1 -20 -28 11 o 19.667  6.4764  50.581     35.816   -138.3817  134.559  64.989     37.156   19.367  9.3679  21.865  6.5151  -2.497942      11.41068 
1 1 1 -20 -28 12 f 41.844  4.7796  225.480    47.657   236.637    107.604  222.758    53.155   38.514  10.980  41.243  5.4447  -2.729427      12.25545 
1 1 1 -20 -28 13 o 11.410  5.1886  -15.5586   31.431   76.519     81.127   -31.8199   34.093   24.721  9.5426  10.820  5.0853  13.90038       10.81299 
1 1 1 -20 -28 14 o 42.389  4.5537  229.840    46.102   331.946    88.162   191.411    54.086   48.958  7.6738  37.889  6.0894  11.06890       9.796312 
1 1 1 -20 -28 15 o 13.334  5.6387  5.2239     31.432   -12.6878   66.587   10.359     35.654   17.191  7.7086  14.585  6.0758  2.605581       9.815191 
1 1 1 -20 -28 16 f 13.573  6.2555  -28.4009   47.757   -37.4768   101.249  -25.8038   54.161   19.741  9.1018  14.737  6.7436  5.004129       11.32781 
1 1 1 -20 -28 17 o 15.006  6.6712  -8.9628    48.744   -20.3648   101.237  -5.5217    55.615   20.488  9.3149  16.237  7.1765  4.250940       11.75883 
1 1 1 -20 -28 18 o 20.746  7.9560  47.850     56.132   51.656     109.667  46.499     65.340   24.766  10.506  21.338  8.4661  3.427868       13.49283 
1 1 1 -20 -28 19 o 32.291  5.5910  137.632    42.220   222.577    80.716   105.637    49.537   39.346  8.6869  27.548  7.2955  11.79827       11.34399 
1 1 1 -20 -28 20 o 11.522  5.2279  -15.0832   31.682   -30.1680   64.393   -10.2652   36.392   15.975  7.3258  12.842  5.7329  3.132779       9.302297 
1 1 1 -20 -28 21 o 34.460  5.4846  155.803    44.322   125.707    85.148   166.988    51.909   29.325  9.9908  35.308  6.2897  -5.982719      11.80581 
1 1 1 -20 -28 22 o 13.277  6.0129  -17.2880   41.676   -40.2696   86.676   -10.3771   47.531   18.200  8.4017  14.740  6.5680  3.459916       10.66430 
1 1 1 -20 -28 23 o 43.133  5.8999  244.826    60.129   243.059    136.841  245.249    66.937   38.082  12.665  42.725  6.6752  -4.642506      14.31625 
1 1 1 -20 -28 24 o 75.702  6.5438  758.766    119.017  781.104    214.232  748.795    143.138  68.692  13.334  73.554  8.1576  -4.861847      15.63153 
1 1 1 -20 -28 25 o 34.717  9.5970  179.323    83.543   51.596     166.139  222.550    96.652   27.821  12.345  38.293  10.214  -10.47209      16.02249 
1 1 1 -20 -28 26 o 22.561  9.0988  50.478     76.747   83.749     157.186  40.064     87.942   28.768  12.399  22.657  9.4983  6.111519       15.61874 
1 1 1 -20 -28 27 o 32.554  9.8971  158.891    85.113   301.482    170.042  111.222    98.316   40.843  14.112  28.278  10.601  12.56421       17.64980 
1 1 1 -20 -28 28 o 17.520  7.1316  23.050     47.640   110.029    89.974   -10.8338   56.158   27.981  10.203  15.980  7.1285  12.00126       12.44635 
1 1 1 -20 -28 29 o 25.821  7.7610  93.017     52.557   10.370     100.346  124.260    61.697   21.913  9.6648  29.492  8.2814  -7.578995      12.72752 
1 1 1 -20 -28 30 o 24.229  7.8505  80.445     52.713   30.336     101.138  99.134     61.765   23.022  9.9338  26.517  8.4881  -3.494759      13.06629 
1 1 1 -20 -28 31 o 21.188  7.6221  55.936     49.983   74.625     96.223   49.030     58.493   25.440  10.213  21.038  8.1079  4.401688       13.04035 
1 1 1 -20 -28 32 o 15.227  6.7029  -4.4403    48.041   23.980     97.602   -13.5273   55.189   22.369  9.7051  15.647  7.0170  6.722788       11.97608 
1 1 1 -20 -28 33 o 13.177  6.2329  -50.9587   52.738   -159.7105  97.337   -5.7680    62.746   15.393  7.5587  17.144  7.5977  -1.750214      10.71723 
1 1 1 -20 -28 34 o 33.050  8.0450  155.622    63.909   124.310    104.936  174.083    80.575   29.242  10.954  34.157  9.4178  -4.914993      14.44594 
1 1 1 -20 -28 35 o 21.067  9.3838  1.6280     96.916   1.6280     96.916   0.0000     0.0000   21.067  9.3838  ?       ?       0.000000       9.383772 
1 1 1 -20 -28 36 o 32.287  11.458  165.256    112.592  165.256    112.592  0.0000     0.0000   32.287  11.458  ?       ?       0.000000       11.45837 
1 1 1 -20 -28 37 o 31.190  9.2676  145.262    75.263   70.712     109.638  211.701    103.502  25.632  10.664  36.448  10.877  -10.81574      15.23243 
1 1 1 -20 -28 38 o 38.090  10.126  224.502    95.199   153.704    143.183  280.595    127.449  31.334  12.501  40.801  12.044  -9.467253      17.35897 
1 1 1 -20 -28 39 o 42.118  7.6929  249.447    75.721   279.447    156.048  240.208    86.600   38.853  13.513  40.239  9.0848  -1.386265      16.28300 
1 1 1 -20 -28 40 o 26.062  8.5826  97.926     62.900   118.581    146.304  93.243     69.667   29.198  12.247  25.617  9.0216  3.581509       15.21075 
1 1 1 -20 -28 41 o 20.533  7.2571  54.601     45.119   -93.9411   114.112  82.127     49.122   18.627  8.9114  24.132  7.5510  -5.504633      11.68035 
1 1 1 -20 -28 42 o 37.634  6.3456  193.098    55.884   247.878    124.220  179.197    62.573   37.532  12.040  35.472  7.5044  2.060070       14.18717 
1 1 1 -20 -28 43 o 23.051  7.2762  74.831     45.509   -28.7224   113.805  94.542     49.652   20.603  9.5519  25.619  7.5049  -5.016369      12.14749 
1 1 1 -20 -28 44 o 18.542  7.1868  38.206     46.162   -17.7627   109.172  50.391     50.940   20.547  9.4653  20.189  7.6179  0.3572197      12.15010 
1 1 1 -20 -28 45 o 28.185  9.4719  125.337    76.522   360.445    235.063  97.467     80.931   37.186  15.555  25.580  9.6124  11.60519       18.28527 
1 1 1 -20 -28 46 o 30.146  8.8097  141.953    68.492   -71.3376   246.421  159.810    71.301   25.310  12.342  31.958  8.8776  -6.648020      15.20345 
1 1 1 -20 -28 47 o 16.043  6.9592  8.2749     50.170   0.0000     0.0000   8.2749     50.170   ?       ?       16.043  6.9592  0.000000       6.959208 
1 1 1 -20 -28 48 o 23.229  7.8403  79.913     52.432   0.0000     0.0000   79.913     52.432   ?       ?       23.229  7.8403  0.000000       7.840275 
1 1 1 -20 -28 49 o 20.158  7.7149  53.289     52.716   0.0000     0.0000   53.289     52.716   ?       ?       20.158  7.7149  0.000000       7.714941 
1 1 1 -20 -28 50 o 12.580  5.8098  -21.1915   41.514   -137.5664  129.193  -7.7912    43.839   17.746  8.7128  13.841  6.2267  3.905365       10.70908 
1 1 1 -20 -28 51 f 32.114  7.0567  152.943    53.486   127.329    112.052  160.502    60.867   26.551  10.887  32.201  7.8592  -5.650051      13.42748 
1 1 1 -20 -28 52 o 22.770  8.1634  79.917     57.287   -0.2220    148.667  93.892     62.081   21.966  10.412  24.209  8.5173  -2.242167      13.45220 
1 1 1 -20 -28 53 o 20.149  7.9127  54.871     56.534   136.175    149.971  41.404     61.037   26.516  11.749  19.212  7.9719  7.304108       14.19826 
1 1 1 -20 -28 54 o 18.180  8.1626  11.013     74.909   124.094    159.135  -21.1766   84.904   25.995  11.763  17.460  8.1470  8.535471       14.30913 
1 1 1 -20 -28 55 o 29.064  10.008  154.977    85.492   43.179     175.993  189.506    97.807   23.780  11.288  31.252  10.708  -7.472122      15.55894 
1 1 1 -20 -28 56 o 17.861  7.9248  14.187     68.456   -86.9344   177.760  31.795     74.177   21.013  10.297  19.362  8.4306  1.651117       13.30825 
1 1 1 -20 -28 57 o 11.151  5.4911  -89.9544   52.583   2.4645     133.528  -106.9169  57.206   21.329  10.037  11.290  5.5904  10.03926       11.48869 
1 1 1 -20 -28 58 o 18.887  7.8955  38.025     60.508   171.831    146.529  10.517     66.437   28.041  12.026  17.452  7.7718  10.58917       14.31890 
1 1 1 -20 -28 59 o 19.772  9.1598  4.9352     104.363  -188.7937  283.879  35.210     112.222  22.538  11.347  21.380  9.7540  1.157816       14.96297 
1 1 1 -20 -28 60 o 17.762  8.4684  -40.8444   101.207  -367.8161  282.318  7.3715     108.412  20.622  10.480  19.896  9.2577  0.7260475      13.98310 
1 1 1 -20 -28 61 o 24.850  10.761  122.230    119.559  243.091    300.827  99.558     130.291  26.662  13.130  23.832  10.727  2.830072       16.95510 
1 1 1 -20 -27 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -27 2  f 46.954  5.1096  289.600    57.273   463.674    146.964  258.429    62.190   51.814  11.936  43.700  6.0252  8.113277       13.37018 
1 1 1 -20 -27 3  o 14.267  5.6735  17.186     29.405   1.1202     78.410   19.816     31.720   18.923  8.4338  14.926  5.9062  3.996892       10.29620 
1 1 1 -20 -27 4  o 26.288  6.1213  94.929     38.317   127.768    93.199   88.249     42.033   28.735  10.398  25.096  6.7539  3.639225       12.39918 
1 1 1 -20 -27 5  o 30.000  7.6559  129.109    55.915   125.253    125.185  130.070    62.495   29.040  11.653  29.762  8.3269  -0.7223568     14.32210 
1 1 1 -20 -27 6  f 20.054  7.5083  47.770     49.290   41.775     120.604  48.972     54.006   24.470  10.699  20.515  7.8189  3.954491       13.25191 
1 1 1 -20 -27 7  o 47.904  4.4323  292.966    50.935   154.208    105.245  335.408    58.206   31.287  11.081  51.099  4.7489  -19.81163      12.05563 
1 1 1 -20 -27 8  o 33.599  5.0619  147.322    39.987   89.401     78.221   167.813    46.525   25.648  9.4869  35.657  5.5586  -10.00938      10.99541 
1 1 1 -20 -27 9  f 19.568  6.5351  49.511     36.424   40.988     90.403   51.163     39.797   22.735  9.5859  19.968  6.8302  2.766960       11.77032 
1 1 1 -20 -27 10 o 31.610  5.7255  132.786    42.297   176.164    95.146   122.102    47.220   33.724  10.502  29.848  6.6860  3.876682       12.44954 
1 1 1 -20 -27 11 o 37.049  5.5153  180.075    48.069   343.204    148.605  161.012    50.800   44.823  12.942  34.624  6.2779  10.19901       14.38394 
1 1 1 -20 -27 12 o 64.223  4.1045  519.498    63.627   555.608    119.894  505.341    75.070   63.379  7.9727  62.809  4.9664  0.5700989      9.393078 
1 1 1 -20 -27 13 o 19.101  6.3729  46.590     34.639   101.342    70.648   29.263     39.744   26.837  9.1007  17.252  6.6736  9.585697       11.28534 
1 1 1 -20 -27 14 o 52.864  4.1887  352.852    53.288   440.256    95.667   313.534    64.164   57.174  7.0451  49.140  5.4745  8.034515       8.922040 
1 1 1 -20 -27 15 o 38.923  4.9005  195.042    45.256   233.818    83.700   179.023    53.797   40.356  8.7961  36.613  6.2819  3.743099       10.80897 
1 1 1 -20 -27 16 o 21.223  7.3459  57.515     46.089   35.394     69.269   75.087     61.738   20.837  8.5539  23.939  8.4860  -3.102312      12.04912 
1 1 1 -20 -27 17 o 50.562  6.4946  339.392    77.837   258.410    138.597  376.702    94.074   39.377  12.727  52.509  7.6051  -13.13166      14.82581 
1 1 1 -20 -27 18 f 57.010  6.1256  426.267    83.405   286.363    146.136  493.856    101.574  41.208  13.042  60.714  7.0246  -19.50650      14.81355 
1 1 1 -20 -27 19 o 23.213  7.0756  72.856     43.461   199.706    115.119  51.771     46.934   35.623  11.605  20.601  7.3887  15.02156       13.75761 
1 1 1 -20 -27 20 o 87.541  3.9634  957.192    84.187   1001.67    139.874  931.925    105.419  87.103  6.6689  85.442  5.1083  1.660744       8.400516 
1 1 1 -20 -27 21 o 40.341  4.9986  209.300    47.880   179.803    86.839   222.184    57.392   34.810  9.8426  41.133  5.9211  -6.322357      11.48633 
1 1 1 -20 -27 22 o 55.185  4.7835  387.680    63.418   440.618    101.366  353.633    81.293   57.013  7.5102  51.591  6.6487  5.422035       10.03039 
1 1 1 -20 -27 23 o 78.429  4.3861  775.052    83.134   745.881    137.450  791.879    104.394  74.107  7.7591  78.440  5.5201  -4.333473      9.522350 
1 1 1 -20 -27 24 o 80.641  4.3795  819.152    85.371   943.205    141.401  747.997    107.091  84.232  6.9814  75.957  5.8558  8.275589       9.112134 
1 1 1 -20 -27 25 o 44.070  8.6193  274.088    88.866   448.939    164.476  202.003    105.607  52.321  13.011  36.199  11.029  16.12194       17.05597 
1 1 1 -20 -27 26 o 39.298  9.2600  223.952    86.849   400.844    161.514  152.002    103.008  48.973  13.264  31.874  10.985  17.09855       17.22249 
1 1 1 -20 -27 27 o 84.780  6.4230  943.497    131.147  1106.27    227.489  862.472    160.503  85.698  11.209  78.838  8.5263  6.860497       14.08312 
1 1 1 -20 -27 28 o 40.186  6.0086  212.817    56.790   200.652    102.768  218.164    68.139   36.128  10.851  39.988  7.2912  -3.860935      13.07312 
1 1 1 -20 -27 29 o 53.529  5.0630  367.308    64.980   431.396    114.478  336.843    78.927   55.276  8.8326  50.310  6.6268  4.966297       11.04218 
1 1 1 -20 -27 30 o 44.729  5.7258  261.298    60.716   59.712     108.308  353.678    73.320   25.334  10.575  52.007  5.9155  -26.67304      12.11671 
1 1 1 -20 -27 31 o 19.316  7.7653  32.460     55.706   131.804    98.099   -14.8216   67.677   30.042  10.692  17.291  7.7613  12.75107       13.21186 
1 1 1 -20 -27 32 o 41.926  6.5342  235.059    64.306   304.111    110.432  199.631    79.100   44.937  10.342  37.167  8.8906  7.770134       13.63857 
1 1 1 -20 -27 33 f 60.600  5.1390  471.606    74.853   565.491    126.618  421.168    92.807   63.650  8.4040  55.973  6.9854  7.676460       10.92814 
1 1 1 -20 -27 34 o 22.113  9.6977  14.672     99.726   14.672     99.726   0.0000     0.0000   22.113  9.6977  ?       ?       0.000000       9.697658 
1 1 1 -20 -27 35 o 68.333  8.7067  658.723    141.081  658.723    141.081  0.0000     0.0000   68.333  8.7067  ?       ?       0.000000       8.706699 
1 1 1 -20 -27 36 o 37.752  7.9871  200.775    70.880   196.733    145.557  202.032    81.152   34.509  12.906  37.150  9.0796  -2.640114      15.78000 
1 1 1 -20 -27 37 o 30.385  8.3305  132.730    63.252   96.036     107.568  152.123    78.200   27.335  10.857  31.974  9.4333  -4.639011      14.38280 
1 1 1 -20 -27 38 o 16.690  7.1573  7.8913     51.894   -12.2731   140.669  11.068     55.832   23.767  10.873  17.435  7.4490  6.332314       13.17991 
1 1 1 -20 -27 39 o 20.308  8.2744  36.535     64.210   233.062    179.846  7.8241     68.740   35.873  14.105  18.658  8.1198  17.21461       16.27504 
1 1 1 -20 -27 40 o 50.172  7.4304  347.697    87.721   403.016    206.482  335.513    96.900   44.102  15.531  48.340  8.5755  -4.237247      17.74161 
1 1 1 -20 -27 41 o 16.210  6.4471  22.927     37.977   -63.4578   120.096  32.525     40.031   20.236  9.5212  17.547  6.7212  2.688372       11.65448 
1 1 1 -20 -27 42 o 44.316  5.6261  259.457    59.134   371.683    127.301  228.578    66.775   48.035  11.139  40.672  7.0201  7.363384       13.16640 
1 1 1 -20 -27 43 f 34.453  6.5108  163.016    52.434   218.394    123.028  150.724    57.961   35.396  12.009  32.503  7.5017  2.892906       14.15992 
1 1 1 -20 -27 44 o 14.169  6.2930  -6.3952    43.273   120.489    115.185  -27.2465   46.694   28.224  11.227  13.319  6.1549  14.90541       12.80364 
1 1 1 -20 -27 45 o 36.144  9.3384  203.228    82.481   369.121    234.110  179.717    88.133   38.407  15.741  33.320  10.058  5.087128       18.68017 
1 1 1 -20 -27 46 o 57.513  8.3639  486.623    113.299  0.0000     0.0000   486.623    113.299  ?       ?       57.513  8.3639  0.000000       8.363885 
1 1 1 -20 -27 47 o 24.054  7.8692  84.832     52.910   0.0000     0.0000   84.832     52.910   ?       ?       24.054  7.8692  0.000000       7.869238 
1 1 1 -20 -27 48 o 37.617  7.3231  205.068    64.437   0.0000     0.0000   205.068    64.437   ?       ?       37.617  7.3231  0.000000       7.323112 
1 1 1 -20 -27 49 o 12.928  5.9654  -22.3897   43.619   -3.5113    128.899  -24.8312   46.354   21.741  10.109  13.213  6.1153  8.527283       11.81457 
1 1 1 -20 -27 50 o 27.851  7.5199  116.945    52.007   -13.2991   115.319  150.198    58.269   20.425  9.5184  31.530  7.6860  -11.10569      12.23416 
1 1 1 -20 -27 51 o 16.395  6.8028  22.297     44.447   180.137    104.037  -12.9446   49.160   30.817  11.006  14.258  6.4857  16.55970       12.77499 
1 1 1 -20 -27 52 o 28.964  8.6682  136.883    65.667   57.518     158.357  153.365    72.165   24.244  11.250  30.277  9.0927  -6.033237      14.46488 
1 1 1 -20 -27 53 o 25.262  8.4260  102.635    60.555   166.583    154.485  91.026     65.823   28.085  12.197  23.920  8.7259  4.164423       14.99722 
1 1 1 -20 -27 54 o 21.989  8.4692  71.441     63.792   256.279    146.391  28.115     70.875   32.868  12.782  18.983  8.2530  13.88491       15.21479 
1 1 1 -20 -27 55 f 28.200  10.033  144.029    86.376   340.688    191.552  93.835     96.773   34.305  14.169  24.232  10.045  10.07347       17.36863 
1 1 1 -20 -27 56 o 16.502  7.5074  -6.4262    65.890   -120.7636  162.873  15.948     72.050   19.841  9.7496  18.328  8.1312  1.512346       12.69535 
1 1 1 -20 -27 57 o 31.146  8.8966  161.002    70.578   200.786    150.860  149.854    79.856   29.743  12.453  29.201  9.6731  0.5422001      15.76856 
1 1 1 -20 -27 58 o 15.393  7.1023  -19.0012   61.820   -1.8160    144.912  -22.8246   68.352   21.797  10.317  15.917  7.3875  5.880428       12.68921 
1 1 1 -20 -27 59 o 32.698  11.753  227.676    118.813  343.925    301.350  206.279    129.286  30.249  14.474  30.543  11.975  -0.2933083     18.78557 
1 1 1 -20 -27 60 o 30.702  11.584  204.811    117.792  333.705    305.972  182.385    127.629  29.345  14.177  28.763  11.686  0.5820656      18.37307 
1 1 1 -20 -27 61 o 23.618  10.298  92.865     111.034  474.776    302.201  33.262     119.384  30.998  14.738  21.240  9.8247  9.757372       17.71222 
1 1 1 -20 -26 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -26 2  o 29.485  8.0131  126.784    58.826   0.0000     0.0000   126.784    58.826   ?       ?       29.485  8.0131  0.000000       8.013064 
1 1 1 -20 -26 3  o 40.190  5.2715  211.759    50.167   195.955    96.728   217.574    58.675   35.010  10.530  40.189  6.2179  -5.178108      12.22878 
1 1 1 -20 -26 4  o 36.763  4.8664  175.336    42.342   215.183    97.423   166.056    47.015   36.973  10.415  35.368  5.6701  1.605663       11.85843 
1 1 1 -20 -26 5  o 14.190  6.1339  1.4091     38.705   42.288     72.958   -14.6020   45.660   21.460  8.7906  14.079  6.3424  7.381276       10.83981 
1 1 1 -20 -26 6  o 41.061  6.9436  229.951    66.714   268.230    141.027  218.915    75.723   39.341  12.846  39.203  8.2232  0.1385155      15.25272 
1 1 1 -20 -26 7  o 32.916  5.8574  144.172    45.067   0.0000     0.0000   144.172    45.067   ?       ?       32.916  5.8574  0.000000       5.857408 
1 1 1 -20 -26 8  o 14.049  5.7118  12.877     30.514   38.215     69.316   6.7861     33.984   20.989  8.5797  13.958  5.8807  7.031785       10.40157 
1 1 1 -20 -26 9  o 34.003  5.4620  151.648    43.539   134.214    97.361   156.006    48.677   30.131  10.659  34.204  6.0885  -4.073090      12.27556 
1 1 1 -20 -26 10 o 39.706  5.0756  203.678    47.780   217.888    101.692  199.652    54.127   37.604  10.658  38.894  5.9224  -1.289917      12.19258 
1 1 1 -20 -26 11 o 47.439  4.5470  286.262    51.699   297.225    101.993  282.471    59.974   45.034  9.6258  46.694  5.3927  -1.659325      11.03341 
1 1 1 -20 -26 12 o 47.298  4.4089  283.652    50.015   368.152    89.016   244.671    60.460   52.196  7.2221  43.158  5.9303  9.037907       9.344933 
1 1 1 -20 -26 13 o 70.706  4.0158  626.830    68.612   556.742    115.265  665.291    85.387   64.071  7.5599  72.288  4.8970  -8.216797      9.007414 
1 1 1 -20 -26 14 o 50.802  4.3694  326.347    53.335   306.894    93.482   335.736    64.942   46.733  8.5595  51.044  5.3217  -4.311184      10.07893 
1 1 1 -20 -26 15 o 20.285  6.9377  51.909     41.060   207.507    104.500  23.502     44.651   36.790  10.918  17.282  6.9506  19.50798       12.94247 
1 1 1 -20 -26 16 o 72.341  3.9730  654.807    69.469   670.365    116.830  646.297    86.404   71.127  6.8544  71.220  5.0323  -0.9348297E-01 8.503348 
1 1 1 -20 -26 17 o 41.477  8.6473  242.653    84.206   0.0000     0.0000   242.653    84.206   ?       ?       41.477  8.6473  0.000000       8.647320 
1 1 1 -20 -26 18 o 25.452  8.3135  88.046     59.062   98.671     111.581  83.910     69.613   28.203  11.103  25.312  9.0069  2.890715       14.29713 
1 1 1 -20 -26 19 o 48.073  6.5829  305.747    74.769   283.932    132.110  316.028    90.691   42.260  12.202  47.930  8.0858  -5.670616      14.63831 
1 1 1 -20 -26 20 o 59.883  4.1486  449.960    59.908   437.536    103.375  456.243    73.511   56.858  7.6905  59.794  5.1160  -2.936226      9.236694 
1 1 1 -20 -26 21 f 22.968  7.0797  70.436     43.366   64.254     73.775   73.699     53.605   23.745  9.1173  23.658  7.9278  0.8724785E-01  12.08203 
1 1 1 -20 -26 22 o 12.907  5.8349  -16.7739   39.045   -97.8154   65.250   28.433     48.734   13.301  6.4556  18.309  7.2966  -5.007902      9.742455 
1 1 1 -20 -26 23 o 20.307  7.6179  45.746     50.788   -25.9134   88.418   81.032     62.045   19.260  8.7369  24.787  8.5264  -5.527174      12.20795 
1 1 1 -20 -26 24 o 16.580  6.8658  15.154     45.141   16.210     83.971   14.724     53.534   21.086  9.0751  17.647  7.4051  3.439493       11.71290 
1 1 1 -20 -26 25 o 38.712  9.3562  215.916    86.908   -28.4001   167.395  306.072    101.687  25.613  11.770  46.290  9.3749  -20.67611      15.04745 
1 1 1 -20 -26 26 o 63.304  7.0787  532.972    106.869  481.267    189.758  556.990    129.329  53.071  14.379  63.446  8.6245  -10.37502      16.76701 
1 1 1 -20 -26 27 o 50.381  8.2547  350.102    97.413   151.238    177.269  436.133    116.596  33.196  13.662  55.807  8.9102  -22.61096      16.31105 
1 1 1 -20 -26 28 o 24.149  7.8024  78.291     52.097   141.821    96.624   52.252     61.859   31.190  10.643  21.810  8.3547  9.379875       13.53030 
1 1 1 -20 -26 29 o 49.414  5.7436  316.993    67.581   281.593    110.909  337.898    85.232   43.294  10.635  50.138  7.2137  -6.844173      12.85051 
1 1 1 -20 -26 30 o 76.849  4.6337  746.546    86.000   734.024    138.876  754.334    109.527  73.467  7.9156  76.256  5.9670  -2.789032      9.912676 
1 1 1 -20 -26 31 o 23.327  8.2077  70.083     57.651   19.062     97.771   97.277     71.380   22.377  9.7110  26.639  9.1464  -4.261839      13.34018 
1 1 1 -20 -26 32 o 54.368  6.8925  394.488    88.883   361.000    120.214  434.873    132.011  49.285  10.380  54.193  10.418  -4.908401      14.70649 
1 1 1 -20 -26 33 o 70.004  8.3661  678.067    139.291  678.067    139.291  0.0000     0.0000   70.004  8.3661  ?       ?       0.000000       8.366125 
1 1 1 -20 -26 34 o 41.301  11.230  265.920    115.509  265.920    115.509  0.0000     0.0000   41.301  11.230  ?       ?       0.000000       11.23033 
1 1 1 -20 -26 35 o 54.595  5.6527  387.122    73.797   417.339    126.533  371.545    90.847   53.108  10.190  52.330  7.3581  0.7781677      12.56883 
1 1 1 -20 -26 36 o 34.571  8.8215  172.745    74.242   425.421    182.395  122.568    81.280   48.708  14.417  29.103  9.7620  19.60482       17.41099 
1 1 1 -20 -26 37 o 25.782  7.0130  91.536     45.035   48.079     120.830  98.547     48.532   25.342  10.896  26.657  7.2924  -1.314541      13.11124 
1 1 1 -20 -26 38 o 22.037  8.1872  58.917     58.383   12.044     177.662  64.591     61.816   26.906  12.274  22.807  8.4341  4.099394       14.89280 
1 1 1 -20 -26 39 o 24.654  8.6261  82.194     63.635   67.597     183.054  84.200     67.867   28.952  12.896  24.988  8.8931  3.963985       15.66506 
1 1 1 -20 -26 40 o 23.276  9.1675  61.577     76.097   567.329    194.883  -29.4088   82.659   56.405  14.238  18.173  8.3215  38.23157       16.49145 
1 1 1 -20 -26 41 o 16.745  7.0983  11.933     50.000   -10.2731   134.837  15.474     53.838   23.374  10.675  17.514  7.3917  5.859999       12.98414 
1 1 1 -20 -26 42 o 42.875  6.2612  246.448    63.217   328.717    223.664  239.305    65.904   39.347  15.647  41.963  6.6978  -2.615593      17.02033 
1 1 1 -20 -26 43 o 49.610  5.2645  320.947    62.403   282.449    136.376  331.142    70.182   40.045  12.590  49.967  5.9027  -9.921902      13.90489 
1 1 1 -20 -26 44 o 32.165  6.9149  144.373    52.363   109.890    129.230  151.147    57.276   28.155  11.634  32.635  7.4031  -4.479883      13.79003 
1 1 1 -20 -26 45 o 21.889  8.5766  57.081     66.288   0.0000     0.0000   57.081     66.288   ?       ?       21.889  8.5766  0.000000       8.576583 
1 1 1 -20 -26 46 o 17.515  7.7580  0.8511     65.335   0.0000     0.0000   0.8511     65.335   ?       ?       17.515  7.7580  0.000000       7.757967 
1 1 1 -20 -26 47 o 47.556  6.3972  310.197    71.945   0.0000     0.0000   310.197    71.945   ?       ?       47.556  6.3972  0.000000       6.397165 
1 1 1 -20 -26 48 o 31.050  7.2132  139.529    53.307   167.296    134.361  134.342    58.073   30.325  12.106  30.002  7.8769  0.3231716      14.44301 
1 1 1 -20 -26 49 o 34.607  6.9039  171.156    55.941   114.734    116.723  187.979    63.737   26.906  11.081  35.768  7.5795  -8.862852      13.42551 
1 1 1 -20 -26 50 o 34.407  6.7493  169.147    54.334   24.178     111.628  214.157    62.200   21.867  9.8777  38.713  6.8735  -16.84563      12.03387 
1 1 1 -20 -26 51 o 28.786  7.6693  125.729    54.532   269.576    113.956  83.004     62.104   37.863  11.439  23.465  8.4887  14.39848       14.24428 
1 1 1 -20 -26 52 o 24.631  8.3126  94.719     58.939   -75.4541   139.436  131.738    65.034   19.873  9.5935  28.574  8.6433  -8.700735      12.91286 
1 1 1 -20 -26 53 o 29.150  8.7240  138.714    66.515   177.624    136.841  126.677    76.111   29.230  12.014  27.310  9.4408  1.920624       15.27938 
1 1 1 -20 -26 54 o 17.577  7.5986  19.785     59.401   -47.2583   136.397  35.476     65.987   20.255  9.7041  19.229  8.1530  1.026350       12.67440 
1 1 1 -20 -26 55 o 21.752  9.0021  62.225     77.536   268.558    163.562  2.4170     88.059   32.834  13.269  18.914  8.6335  13.91965       15.83007 
1 1 1 -20 -26 56 o 13.017  6.2722  -64.2262   58.933   -227.0499  147.467  -33.2799   64.290   17.206  8.5938  15.018  7.0342  2.187821       11.10558 
1 1 1 -20 -26 57 o 25.541  9.1088  107.273    71.236   169.408    145.369  87.637     81.720   28.579  12.108  23.807  9.4610  4.771893       15.36629 
1 1 1 -20 -26 58 o 25.250  8.7138  103.059    64.827   17.169     148.210  123.379    72.089   22.661  10.635  27.093  9.1930  -4.432072      14.05751 
1 1 1 -20 -26 59 o 21.331  9.6377  32.688     106.338  -182.1342  288.534  66.453     114.390  23.226  11.660  23.194  10.270  0.3169823E-01  15.53818 
1 1 1 -20 -26 60 o 22.790  10.062  66.038     109.018  -130.1191  294.325  97.229     117.366  23.555  11.819  24.511  10.638  -0.9555874     15.90160 
1 1 1 -20 -26 61 o 18.182  8.6235  -31.7414   102.245  77.140     266.316  -50.5649   110.731  25.171  12.388  18.154  8.7094  7.017889       15.14346 
1 1 1 -20 -25 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -25 2  o 29.385  7.7551  123.214    56.100   0.0000     0.0000   123.214    56.100   ?       ?       29.385  7.7551  0.000000       7.755065 
1 1 1 -20 -25 3  o 12.942  5.0068  15.007     22.372   -65.1872   63.114   26.531     23.926   14.083  6.7067  15.038  5.2878  -0.9558802     8.540545 
1 1 1 -20 -25 4  o 16.131  5.9993  28.133     31.366   35.081     73.185   26.570     34.716   21.036  8.7290  16.314  6.2566  4.721968       10.73967 
1 1 1 -20 -25 5  f 15.072  5.8245  21.279     30.250   -38.7296   72.090   34.104     33.327   16.537  7.6440  17.187  6.2182  -0.6505299     9.853751 
1 1 1 -20 -25 6  o 28.965  7.6410  117.603    54.477   101.350    124.692  121.437    60.562   28.460  11.556  29.224  8.2044  -0.7643223     14.17198 
1 1 1 -20 -25 7  o 62.027  7.1277  517.421    105.324  0.0000     0.0000   517.421    105.324  ?       ?       62.027  7.1277  0.000000       7.127686 
1 1 1 -20 -25 8  o 38.474  4.8617  190.210    44.373   205.796    98.332   186.225    49.724   36.756  10.502  37.730  5.6015  -0.9740372     11.90250 
1 1 1 -20 -25 9  o 31.773  5.9015  133.883    43.822   88.459     113.668  141.813    47.494   27.429  11.069  32.573  6.2363  -5.144062      12.70519 
1 1 1 -20 -25 10 o 23.782  6.4931  76.461     38.521   13.337     83.263   93.652     43.451   20.727  8.9781  26.206  6.7814  -5.479515      11.25140 
1 1 1 -20 -25 11 o 59.585  4.0473  445.416    58.168   426.001    100.373  455.234    71.375   56.060  7.5729  59.751  4.9681  -3.691086      9.057134 
1 1 1 -20 -25 12 o 60.755  5.0349  470.808    73.554   507.030    102.605  432.515    105.497  61.734  6.9719  56.254  7.9506  5.480896       10.57448 
1 1 1 -20 -25 13 o 76.296  3.9541  727.346    72.950   659.500    121.650  765.443    91.158   70.306  7.2343  77.706  4.8592  -7.399551      8.714785 
1 1 1 -20 -25 14 o 42.105  4.7292  225.791    47.480   192.156    84.170   241.489    57.502   36.430  9.4438  43.154  5.6253  -6.723522      10.99222 
1 1 1 -20 -25 15 o 30.685  5.8086  124.074    41.663   167.027    74.470   104.504    50.266   34.259  8.8841  27.611  7.3665  6.647921       11.54089 
1 1 1 -20 -25 16 o 26.346  6.3136  93.045     39.832   122.976    72.733   80.222     47.606   29.521  9.1802  24.394  7.3987  5.127390       11.79048 
1 1 1 -20 -25 17 o 26.316  8.4279  94.318     60.886   181.017    112.943  58.800     72.289   34.686  11.504  23.258  8.9995  11.42754       14.60626 
1 1 1 -20 -25 18 o 67.696  5.8359  590.122    94.923   655.381    159.067  554.031    118.295  67.890  9.9517  64.206  7.7500  3.684296       12.61343 
1 1 1 -20 -25 19 o 62.005  6.3014  500.055    93.487   474.203    152.980  515.464    118.106  56.175  11.607  61.681  8.0863  -5.505386      14.14624 
1 1 1 -20 -25 20 o 11.219  5.3191  -43.0364   38.841   -17.3112   64.270   -57.8369   48.750   16.890  7.5735  12.309  5.8711  4.580322       9.582687 
1 1 1 -20 -25 21 o 54.059  4.7276  369.497    61.388   288.402    99.915   418.672    77.805   45.091  9.4353  57.065  5.6953  -11.97393      11.02089 
1 1 1 -20 -25 22 f 55.094  4.5840  382.739    60.722   310.834    98.804   426.380    76.974   47.193  8.9561  57.665  5.5707  -10.47219      10.54722 
1 1 1 -20 -25 23 o 48.920  5.0452  304.714    59.027   320.124    104.554  297.504    71.514   47.616  9.3832  47.703  6.3351  -0.8779526E-01 11.32163 
1 1 1 -20 -25 24 o 52.984  4.9162  356.190    62.483   380.304    110.074  344.726    75.896   52.273  9.0034  51.467  6.2024  0.8056908      10.93299 
1 1 1 -20 -25 25 o 25.071  8.6886  81.772     64.485   148.499    90.664   13.456     91.737   32.099  10.285  21.782  9.4296  10.31689       13.95328 
1 1 1 -20 -25 26 o 60.364  8.9868  505.371    127.615  0.0000     0.0000   505.371    127.615  ?       ?       60.364  8.9868  0.000000       8.986811 
1 1 1 -20 -25 27 o 65.132  6.9339  559.185    107.895  412.870    194.832  623.904    129.579  48.700  15.005  67.959  8.0122  -19.25874      17.01049 
1 1 1 -20 -25 28 o 26.102  9.7203  85.039     82.394   -133.4395  154.083  172.529    97.506   21.727  10.384  34.178  10.629  -12.45160      14.85932 
1 1 1 -20 -25 29 o 31.829  7.8307  140.131    60.062   169.723    98.806   122.787    75.642   33.853  10.725  29.500  9.3881  4.353870       14.25357 
1 1 1 -20 -25 30 o 26.101  8.1263  93.172     56.973   -20.8408   97.495   152.296    70.208   20.467  9.2395  32.805  8.6842  -12.33768      12.68002 
1 1 1 -20 -25 31 o 50.379  7.3304  341.079    86.978   354.162    114.863  323.495    133.169  49.474  9.9138  45.549  11.913  3.925594       15.49882 
1 1 1 -20 -25 32 o 81.930  7.6928  903.591    151.139  903.591    151.139  0.0000     0.0000   81.930  7.6928  ?       ?       0.000000       7.692769 
1 1 1 -20 -25 33 o 69.700  9.0667  681.268    149.706  681.268    149.706  0.0000     0.0000   69.700  9.0667  ?       ?       0.000000       9.066732 
1 1 1 -20 -25 34 o 61.826  5.4499  491.708    80.920   531.711    146.614  474.183    97.039   60.158  10.422  59.777  6.8120  0.3812218      12.45056 
1 1 1 -20 -25 35 o 27.708  8.6414  107.909    64.394   14.647     122.589  143.448    75.676   24.062  10.644  31.461  9.2792  -7.399137      14.12085 
1 1 1 -20 -25 36 o 33.695  6.2564  151.505    49.267   165.702    130.083  149.128    53.233   32.969  12.226  33.147  6.8454  -0.1774216     14.01217 
1 1 1 -20 -25 37 f 48.295  5.1926  300.221    59.893   425.048    145.010  274.548    65.764   52.147  11.743  45.685  6.0840  6.462345       13.22552 
1 1 1 -20 -25 38 o 73.605  4.5778  686.068    81.352   804.474    165.621  648.416    93.395   75.155  9.2793  70.919  5.4697  4.235985       10.77136 
1 1 1 -20 -25 39 o 24.132  8.7359  75.465     65.791   184.135    171.853  56.803     71.217   34.061  13.658  22.714  8.8925  11.34630       16.29785 
1 1 1 -20 -25 40 o 18.390  7.7499  17.719     59.045   47.103     182.695  14.292     62.393   28.332  12.732  18.508  7.8902  9.823723       14.97872 
1 1 1 -20 -25 41 o 25.787  8.7054  92.687     64.641   87.214     145.781  94.026     72.118   28.319  12.066  26.063  9.1789  2.256573       15.16076 
1 1 1 -20 -25 42 o 10.659  5.1591  -60.7716   40.975   -86.6784   219.765  -59.8386   41.706   26.023  12.427  10.838  5.2355  15.18550       13.48458 
1 1 1 -20 -25 43 o 31.100  7.1728  135.043    53.022   171.382    128.167  127.540    58.239   32.474  12.117  29.845  7.9135  2.628857       14.47255 
1 1 1 -20 -25 44 o 41.704  6.7604  237.512    66.067   0.0000     0.0000   237.512    66.067   ?       ?       41.704  6.7604  0.000000       6.760428 
1 1 1 -20 -25 45 o 40.569  9.4341  249.948    91.111   0.0000     0.0000   249.948    91.111   ?       ?       40.569  9.4341  0.000000       9.434132 
1 1 1 -20 -25 46 o 26.456  9.4364  103.414    76.454   0.0000     0.0000   103.414    76.454   ?       ?       26.456  9.4364  0.000000       9.436427 
1 1 1 -20 -25 47 o 24.922  8.9989  89.752     69.748   -43.3518   230.559  103.160    73.177   26.052  12.517  26.255  9.2461  -0.2038155     15.56155 
1 1 1 -20 -25 48 o 14.015  6.1633  -1.8866    40.531   -40.5382   89.203   8.1688     45.498   17.846  8.3351  15.564  6.6890  2.281861       10.68721 
1 1 1 -20 -25 49 o 20.359  7.3530  55.151     46.570   64.526     104.852  52.847     51.979   23.904  10.210  20.365  7.6925  3.539148       12.78386 
1 1 1 -20 -25 50 o 12.157  5.8028  -49.8903   47.817   -95.2754   98.598   -35.9336   54.677   16.660  8.0487  13.881  6.4969  2.778980       10.34366 
1 1 1 -20 -25 51 o 21.992  8.0229  68.757     55.644   -11.2067   100.835  103.770    66.723   19.659  9.0706  25.719  8.8423  -6.060421      12.66738 
1 1 1 -20 -25 52 o 19.675  8.1187  41.438     62.802   63.117     133.105  35.230     71.229   24.191  10.870  19.792  8.4338  4.398460       13.75792 
1 1 1 -20 -25 53 o 24.092  8.5227  90.096     62.242   108.611    130.038  84.594     70.891   25.956  11.232  23.578  8.9649  2.378260       14.37082 
1 1 1 -20 -25 54 o 30.871  8.4090  151.675    64.695   153.234    134.593  151.207    73.776   28.067  11.758  30.029  9.2306  -1.961962      14.94816 
1 1 1 -20 -25 55 o 29.771  9.7918  154.690    81.882   103.546    160.562  172.666    95.191   25.950  11.772  30.581  10.559  -4.631098      15.81390 
1 1 1 -20 -25 56 o 30.521  9.9437  164.065    84.517   337.276    165.490  102.946    98.303   36.976  13.775  25.156  10.243  11.82051       17.16542 
1 1 1 -20 -25 57 o 23.233  8.5656  82.159     63.667   89.758     142.296  80.257     71.190   25.230  11.294  23.149  8.9381  2.081757       14.40329 
1 1 1 -20 -25 58 o 38.632  8.3920  233.141    76.413   347.478    149.262  192.534    88.953   39.401  13.229  32.968  10.136  6.433041       16.66550 
1 1 1 -20 -25 59 f 19.616  9.2286  -23.6881   112.778  203.520    285.830  -65.5816   122.735  28.737  13.839  18.973  9.1201  9.764450       16.57384 
1 1 1 -20 -25 60 o 32.147  11.754  217.991    119.523  179.943    309.774  224.647    129.555  27.828  13.627  31.941  12.125  -4.113804      18.24091 
1 1 1 -20 -25 61 o 26.360  10.695  132.768    106.730  180.051    331.446  127.298    112.735  27.098  13.425  25.952  10.807  1.145935       17.23417 
1 1 1 -20 -24 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -24 2  o 19.872  6.7678  50.458     39.072   0.0000     0.0000   50.458     39.072   ?       ?       19.872  6.7678  0.000000       6.767780 
1 1 1 -20 -24 3  o 33.666  4.9922  146.963    39.544   121.315    124.045  149.864    41.721   29.638  11.695  33.896  5.2420  -4.257385      12.81583 
1 1 1 -20 -24 4  o 60.528  4.0474  460.480    59.100   340.806    107.825  511.873    70.660   48.400  9.5206  63.504  4.6173  -15.10363      10.58117 
1 1 1 -20 -24 5  o 36.252  4.8992  169.250    41.991   147.274    86.301   176.066    48.064   31.541  10.027  36.688  5.5747  -5.146963      11.47227 
1 1 1 -20 -24 6  o 32.446  7.8769  147.314    61.389   179.191    132.671  138.630    69.248   33.910  12.386  31.087  8.7891  2.822481       15.18715 
1 1 1 -20 -24 7  f 33.404  7.6106  154.528    60.309   201.104    136.520  143.234    67.225   35.507  12.616  31.723  8.5430  3.784199       15.23598 
1 1 1 -20 -24 8  o 9.1353  4.3762  -36.8732   27.724   12.650     74.505   -44.8323   29.869   19.851  8.5459  9.1843  4.4352  10.66681       9.628279 
1 1 1 -20 -24 9  o 46.075  4.5111  269.021    49.786   231.350    97.243   282.403    57.959   39.548  10.098  46.909  5.1785  -7.360107      11.34872 
1 1 1 -20 -24 10 o 27.757  6.3160  103.361    41.580   187.701    98.233   84.951     45.895   35.409  10.603  25.001  7.1845  10.40832       12.80781 
1 1 1 -20 -24 11 o 64.347  5.7613  533.859    89.001   482.696    151.232  560.968    110.083  56.644  11.398  65.014  7.0934  -8.369553      13.42502 
1 1 1 -20 -24 12 o 78.356  4.7955  775.593    90.736   782.490    124.193  767.696    132.888  77.290  6.6882  76.032  7.2927  1.258186       9.895248 
1 1 1 -20 -24 13 o 34.873  5.2190  156.895    42.804   165.563    76.526   152.948    51.638   34.116  9.0833  33.894  6.5155  0.2218246      11.17845 
1 1 1 -20 -24 14 o 39.232  4.8921  196.368    45.557   230.407    79.761   179.886    55.501   40.838  8.3315  36.885  6.4354  3.953117       10.52748 
1 1 1 -20 -24 15 o 54.939  4.2464  378.409    56.168   284.154    95.508   428.244    69.447   45.055  9.0506  58.126  4.9718  -13.07114      10.32627 
1 1 1 -20 -24 16 o 19.530  6.6811  46.721     38.079   37.297     68.603   50.918     45.779   21.265  8.5933  20.622  7.3077  0.6426506      11.28040 
1 1 1 -20 -24 17 o 36.245  5.4212  169.470    46.213   71.889     80.826   216.862    56.328   25.071  9.5629  40.905  5.8411  -15.83414      11.20570 
1 1 1 -20 -24 18 o 48.297  7.2987  310.172    82.864   319.970    131.827  303.772    106.544  46.066  11.755  46.248  9.7992  -0.1819649     15.30386 
1 1 1 -20 -24 19 o 55.183  6.7965  398.818    89.080   378.523    139.095  412.930    115.987  50.398  11.613  54.695  9.0567  -4.297443      14.72723 
1 1 1 -20 -24 20 o 21.582  8.5166  43.485     65.790   12.173     106.020  63.094     83.898   23.147  10.079  24.612  9.6472  -1.464870      13.95165 
1 1 1 -20 -24 21 o 48.899  4.7280  301.883    55.397   201.546    92.944   357.167    68.991   37.451  10.028  52.898  5.4533  -15.44706      11.41502 
1 1 1 -20 -24 22 o 52.637  4.5627  348.500    57.699   330.128    96.171   358.832    72.121   49.281  8.3402  52.901  5.7092  -3.619667      10.10706 
1 1 1 -20 -24 23 o 48.402  5.0010  297.176    57.887   287.402    94.703   303.005    73.142   45.590  8.8803  48.230  6.4087  -2.640133      10.95136 
1 1 1 -20 -24 24 o 21.905  7.6953  58.541     50.666   -47.3604   89.976   107.712    61.310   18.656  8.5938  28.066  8.3703  -9.409906      11.99648 
1 1 1 -20 -24 25 o 61.970  5.2467  487.529    78.152   598.510    153.120  448.432    90.881   65.241  9.9909  58.740  6.4845  6.500420       11.91076 
1 1 1 -20 -24 26 o 40.204  10.781  237.629    107.337  0.0000     0.0000   237.629    107.337  ?       ?       40.204  10.781  0.000000       10.78148 
1 1 1 -20 -24 27 o 22.466  9.2194  38.699     80.430   121.772    158.903  10.085     93.259   31.944  13.016  21.829  9.4787  10.11515       16.10181 
1 1 1 -20 -24 28 o 27.828  9.8833  102.290    83.781   160.916    155.480  78.302     99.455   33.940  13.180  26.621  10.482  7.319616       16.83994 
1 1 1 -20 -24 29 o 63.029  4.9389  502.725    74.928   472.283    122.211  521.060    94.845   58.519  8.8863  63.410  6.2455  -4.891132      10.86156 
1 1 1 -20 -24 30 o 40.931  11.509  254.509    119.082  254.509    119.082  0.0000     0.0000   40.931  11.509  ?       ?       0.000000       11.50930 
1 1 1 -20 -24 31 o 38.137  12.129  225.296    126.271  225.296    126.271  0.0000     0.0000   38.137  12.129  ?       ?       0.000000       12.12890 
1 1 1 -20 -24 32 o 88.757  8.1138  1064.48    172.805  1064.48    172.805  0.0000     0.0000   88.757  8.1138  ?       ?       0.000000       8.113770 
1 1 1 -20 -24 33 o 78.438  4.8384  778.238    91.636   870.645    157.589  731.030    112.637  80.015  8.2344  75.006  6.2458  5.009422       10.33517 
1 1 1 -20 -24 34 o 13.189  6.1599  -39.7670   48.724   78.219     125.010  -60.9008   52.908   27.654  11.436  12.843  6.1230  14.81078       12.97225 
1 1 1 -20 -24 35 o 46.869  5.3933  283.080    60.216   571.670    143.845  221.763    66.305   63.291  9.6739  40.627  6.9775  22.66417       11.92769 
1 1 1 -20 -24 36 o 16.604  6.5948  22.826     39.687   -89.0472   129.888  34.346     41.680   20.806  9.8233  18.149  6.8805  2.656738       11.99325 
1 1 1 -20 -24 37 o 22.455  7.2216  66.832     44.669   82.297     177.649  65.788     46.152   29.968  13.048  22.363  7.3511  7.605047       14.97594 
1 1 1 -20 -24 38 o 34.736  6.4197  161.373    52.114   187.036    132.413  156.669    56.690   34.513  12.407  33.873  7.1233  0.6402206      14.30655 
1 1 1 -20 -24 39 o 37.403  8.7597  200.197    78.102   443.456    179.105  143.079    86.788   50.587  14.077  31.160  10.071  19.42693       17.30813 
1 1 1 -20 -24 40 o 61.230  6.6109  497.197    96.659   407.758    177.361  534.984    115.284  47.998  14.219  62.572  7.7597  -14.57389      16.19833 
1 1 1 -20 -24 41 o 32.309  6.7240  142.002    50.998   147.318    151.151  141.320    54.174   31.801  12.789  32.021  7.1529  -0.2200909     14.65338 
1 1 1 -20 -24 42 o 22.420  7.7507  65.861     51.300   160.090    213.625  60.094     52.846   33.244  14.390  21.826  7.8390  11.41745       16.38705 
1 1 1 -20 -24 43 o 12.379  5.7553  -30.8106   41.767   0.0000     0.0000   -30.8106   41.767   ?       ?       12.379  5.7553  0.000000       5.755320 
1 1 1 -20 -24 44 o 42.264  6.8677  243.539    68.011   0.0000     0.0000   243.539    68.011   ?       ?       42.264  6.8677  0.000000       6.867700 
1 1 1 -20 -24 45 o 67.164  7.9292  632.438    126.728  0.0000     0.0000   632.438    126.728  ?       ?       67.164  7.9292  0.000000       7.929174 
1 1 1 -20 -24 46 o 27.194  9.1529  109.543    71.456   -34.4136   229.752  124.959    75.185   26.836  12.785  28.734  9.3796  -1.897821      15.85634 
1 1 1 -20 -24 47 o 31.576  9.0202  152.195    72.549   163.689    143.263  148.230    84.134   31.048  12.463  30.635  9.9172  0.4129829      15.92737 
1 1 1 -20 -24 48 o 12.169  5.7967  -49.5909   47.199   -53.3169   87.487   -48.0612   56.056   17.252  8.1199  13.627  6.4397  3.624835       10.36357 
1 1 1 -20 -24 49 o 29.555  8.0150  130.388    58.928   261.141    106.254  72.306     70.817   39.292  10.807  23.169  8.9234  16.12302       14.01516 
1 1 1 -20 -24 50 o 22.861  8.2272  74.348     58.238   58.195     109.314  80.750     68.818   23.715  10.280  23.728  8.8742  -0.1337051E-01 13.58043 
1 1 1 -20 -24 51 o 22.702  8.1756  74.148     57.520   2.8319     106.099  103.834    68.452   20.734  9.4690  25.830  8.9518  -5.095974      13.03064 
1 1 1 -20 -24 52 o 36.855  7.8691  203.951    68.230   10.837     138.282  266.094    78.443   22.636  10.507  42.152  7.9614  -19.51647      13.18221 
1 1 1 -20 -24 53 o 23.641  8.7047  84.648     65.721   227.211    137.149  42.154     74.878   32.761  12.466  20.503  8.6886  12.25820       15.19549 
1 1 1 -20 -24 54 o 22.212  8.5189  70.615     64.360   114.481    135.760  57.898     73.096   26.358  11.441  21.470  8.7973  4.887945       14.43211 
1 1 1 -20 -24 55 o 26.349  9.5711  115.762    79.070   49.985     156.332  138.372    91.658   24.236  11.222  27.988  10.284  -3.752188      15.22096 
1 1 1 -20 -24 56 o 17.080  7.8332  -13.3800   73.646   -78.2446   146.029  8.7451     85.286   20.211  9.7719  19.185  8.6531  1.025852       13.05241 
1 1 1 -20 -24 57 o 24.192  8.6904  90.864     64.952   141.594    140.395  77.050     73.264   27.690  11.821  23.007  9.0160  4.683100       14.86673 
1 1 1 -20 -24 58 o 19.400  8.0340  39.462     61.817   17.070     136.057  45.287     69.393   22.469  10.427  20.333  8.4738  2.135935       13.43580 
1 1 1 -20 -24 59 o 26.232  10.891  117.671    114.021  -344.3987  336.905  177.442    121.172  23.299  11.799  29.843  11.622  -6.544062      16.56186 
1 1 1 -20 -24 60 o 28.336  11.317  157.280    117.462  9.3031     366.011  174.270    124.022  26.448  13.258  29.223  11.642  -2.775045      17.64393 
1 1 1 -20 -24 61 o 20.444  9.2703  24.486     99.419   -141.2254  363.725  37.866     103.355  24.537  12.408  21.251  9.5606  3.286219       15.66433 
1 1 1 -20 -23 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -23 2  o 14.977  5.8669  19.490     31.014   0.0000     0.0000   19.490     31.014   ?       ?       14.977  5.8669  0.000000       5.866925 
1 1 1 -20 -23 3  o 12.791  5.2705  8.2064     26.419   96.828     96.768   1.0687     27.463   27.343  10.455  12.170  5.2126  15.17286       11.68282 
1 1 1 -20 -23 4  o 53.439  4.3679  360.601    56.142   151.809    132.216  406.527    62.010   32.161  12.240  56.668  4.5481  -24.50678      13.05731 
1 1 1 -20 -23 5  o 34.428  4.8698  152.424    39.546   117.680    80.673   163.413    45.371   28.844  9.7252  35.427  5.4530  -6.583290      11.14966 
1 1 1 -20 -23 6  o 33.796  6.7186  153.689    53.154   80.747     74.948   227.507    75.397   25.245  9.2956  40.604  7.9372  -15.35970      12.22324 
1 1 1 -20 -23 7  o 19.194  7.7458  29.726     55.656   44.279     117.029  25.472     63.269   25.319  10.800  19.644  8.1309  5.675070       13.51864 
1 1 1 -20 -23 8  o 50.182  4.7281  319.380    56.891   333.363    157.530  317.283    61.008   44.971  13.418  49.833  5.1183  -4.861641      14.36121 
1 1 1 -20 -23 9  o 80.113  3.8502  797.463    74.843   780.553    125.061  806.898    93.417   77.171  6.7467  79.912  4.8407  -2.741379      8.303641 
1 1 1 -20 -23 10 o 62.004  3.9130  479.489    58.568   476.804    98.054   480.979    73.025   60.202  6.8337  61.616  4.9256  -1.414036      8.423868 
1 1 1 -20 -23 11 o 55.750  5.9518  401.358    79.267   246.392    135.505  481.973    97.733   39.716  12.558  60.634  6.7579  -20.91813      14.26048 
1 1 1 -20 -23 12 o 20.127  6.4113  51.890     35.271   -94.2905   65.592   111.355    41.834   13.542  6.5478  29.001  6.1365  -15.45953      8.973845 
1 1 1 -20 -23 13 o 59.509  4.1097  442.188    58.978   323.510    99.950   505.585    73.052   48.417  8.8333  63.337  4.7888  -14.92001      10.04786 
1 1 1 -20 -23 14 o 29.890  5.9323  117.302    41.505   216.684    73.337   70.471     50.343   39.995  7.8374  23.345  7.6779  16.65011       10.97152 
1 1 1 -20 -23 15 o 40.119  4.8359  204.240    46.127   279.795    81.859   169.089    55.835   45.718  7.6496  35.748  6.6827  9.969685       10.15753 
1 1 1 -20 -23 16 f 42.165  4.8087  225.105    48.318   211.438    82.693   232.190    59.539   39.016  8.9283  42.378  5.9545  -3.362682      10.73173 
1 1 1 -20 -23 17 o 72.728  4.1246  658.369    72.485   555.456    116.695  723.020    92.492   64.880  7.5542  75.750  5.0614  -10.86971      9.093025 
1 1 1 -20 -23 18 o 31.740  8.9148  139.501    71.487   37.242     111.272  211.371    93.285   25.088  10.609  38.589  9.9110  -13.50076      14.51853 
1 1 1 -20 -23 19 o 26.941  8.6753  96.668     64.447   9.2827     107.919  145.105    80.346   23.318  10.161  32.240  9.5745  -8.921665      13.96097 
1 1 1 -20 -23 20 o 42.525  8.7423  247.974    87.192   0.0000     0.0000   247.974    87.192   ?       ?       42.525  8.7423  0.000000       8.742301 
1 1 1 -20 -23 21 o 25.377  6.8124  85.709     42.828   74.794     74.420   91.115     52.370   25.147  9.2623  26.104  7.7248  -0.9578056     12.06082 
1 1 1 -20 -23 22 o 25.316  6.9408  85.343     43.909   76.157     75.697   90.001     53.904   25.345  9.3406  25.978  7.8714  -0.6329231     12.21495 
1 1 1 -20 -23 23 o 42.204  5.5028  227.907    55.010   282.577    89.659   194.904    69.664   45.656  8.4030  38.019  7.8129  7.637299       11.47397 
1 1 1 -20 -23 24 o 15.497  6.8748  -11.9366   51.497   -98.8884   85.872   36.896     64.353   16.220  7.7518  20.972  8.3761  -4.751528      11.41270 
1 1 1 -20 -23 25 o 44.282  6.4025  255.051    66.795   146.725    132.901  291.661    77.262   33.019  12.336  47.130  6.9661  -14.11036      14.16664 
1 1 1 -20 -23 26 o 70.038  6.9176  638.278    116.022  581.158    206.305  664.700    140.313  60.567  14.272  70.415  8.3767  -9.848446      16.54885 
1 1 1 -20 -23 27 o 42.497  9.4041  252.919    94.405   301.571    180.231  234.523    110.824  43.149  14.536  39.996  11.052  3.153179       18.26076 
1 1 1 -20 -23 28 f 45.923  8.7971  290.155    94.454   -26.4764   193.070  389.782    108.299  27.924  12.761  53.494  8.6379  -25.57011      15.40945 
1 1 1 -20 -23 29 o 32.405  11.982  144.046    124.752  144.046    124.752  0.0000     0.0000   32.405  11.982  ?       ?       0.000000       11.98185 
1 1 1 -20 -23 30 o 68.623  9.4616  652.898    153.353  652.898    153.353  0.0000     0.0000   68.623  9.4616  ?       ?       0.000000       9.461633 
1 1 1 -20 -23 31 o 36.830  12.488  206.365    133.028  206.365    133.028  0.0000     0.0000   36.830  12.488  ?       ?       0.000000       12.48810 
1 1 1 -20 -23 32 o 58.166  5.7000  434.377    79.413   535.475    148.203  393.657    94.056   61.125  10.363  54.411  7.3091  6.714592       12.68092 
1 1 1 -20 -23 33 o 73.966  4.8007  690.409    85.692   585.977    163.188  730.170    100.692  63.240  11.036  75.606  5.5271  -12.36555      12.34301 
1 1 1 -20 -23 34 f 81.679  4.4367  837.381    87.599   1123.63    169.945  733.808    102.226  91.694  7.7100  75.694  5.6057  15.99961       9.532519 
1 1 1 -20 -23 35 o 52.053  4.9558  344.784    61.836   361.434    139.388  340.704    68.997   48.355  11.949  51.405  5.6235  -3.049870      13.20630 
1 1 1 -20 -23 36 o 31.039  6.6952  129.808    48.942   260.386    109.860  97.476     54.666   41.630  10.788  26.618  7.8959  15.01224       13.36881 
1 1 1 -20 -23 37 o 37.201  5.7384  180.826    50.131   72.099     116.448  205.561    55.542   26.810  11.058  39.602  5.9653  -12.79114      12.56460 
1 1 1 -20 -23 38 o 29.794  6.7736  120.360    47.859   147.154    111.705  114.336    52.967   31.701  11.396  28.770  7.5079  2.931360       13.64667 
1 1 1 -20 -23 39 o 38.598  8.5351  210.342    77.813   355.411    155.247  161.671    89.924   46.282  13.186  33.023  10.197  13.25859       16.66912 
1 1 1 -20 -23 40 o 16.025  7.1880  -15.1995   57.937   118.685    138.966  -43.3666   63.740   30.243  12.227  15.288  7.1085  14.95491       14.14345 
1 1 1 -20 -23 41 o 36.857  8.0733  190.516    70.203   67.811     155.038  222.165    78.738   28.215  12.237  39.643  8.4443  -11.42768      14.86738 
1 1 1 -20 -23 42 o 27.184  8.1856  104.011    58.426   0.0000     0.0000   104.011    58.426   ?       ?       27.184  8.1856  0.000000       8.185569 
1 1 1 -20 -23 43 o 44.350  6.7044  264.489    69.896   0.0000     0.0000   264.489    69.896   ?       ?       44.350  6.7044  0.000000       6.704427 
1 1 1 -20 -23 44 o 59.755  5.6705  465.991    81.232   0.0000     0.0000   465.991    81.232   ?       ?       59.755  5.6705  0.000000       5.670537 
1 1 1 -20 -23 45 f 116.566 6.8911  1827.61    194.038  1909.71    356.814  1793.13    231.216  103.420 14.627  112.597 8.5263  -9.177719      16.93084 
1 1 1 -20 -23 46 o 34.198  10.025  182.405    88.575   279.793    154.513  134.736    108.100  38.808  13.449  29.612  11.113  9.196854       17.44651 
1 1 1 -20 -23 47 o 22.922  9.2950  58.442     80.566   5.9303     134.133  88.078     100.769  23.500  10.699  25.935  10.438  -2.435469      14.94712 
1 1 1 -20 -23 48 o 25.178  8.1440  91.972     56.746   138.450    98.763   69.067     69.333   29.414  10.695  23.067  8.8430  6.347414       13.87730 
1 1 1 -20 -23 49 o 14.040  6.4665  -25.2910   50.918   -177.7032  99.015   29.505     59.369   14.814  7.3390  18.904  7.8546  -4.089731      10.74968 
1 1 1 -20 -23 50 f 20.425  7.9433  50.279     56.539   163.780    103.962  2.6104     67.373   30.821  11.003  17.716  7.8610  13.10520       13.52238 
1 1 1 -20 -23 51 o 24.360  8.3306  88.335     59.203   -46.0546   108.646  145.092    70.606   19.161  9.0278  30.304  8.9699  -11.14287      12.72634 
1 1 1 -20 -23 52 o 24.389  8.6467  89.976     64.100   25.607     126.374  112.274    74.378   22.765  10.372  26.527  9.3234  -3.762108      13.94673 
1 1 1 -20 -23 53 o 25.430  8.7000  101.101    64.570   16.286     128.775  129.587    74.629   22.352  10.291  28.085  9.3535  -5.732798      13.90628 
1 1 1 -20 -23 54 o 16.392  7.3797  -4.4757    61.706   -72.2498   134.970  13.433     69.381   19.848  9.5464  18.239  8.0408  1.609446       12.48150 
1 1 1 -20 -23 55 o 18.997  8.2883  22.452     72.020   -79.8532   149.388  53.430     82.203   20.460  9.8902  21.645  9.1343  -1.184879      13.46303 
1 1 1 -20 -23 56 o 18.984  8.3567  18.839     74.666   82.347     165.205  2.5356     83.703   25.695  11.765  18.822  8.5230  6.873751       14.52809 
1 1 1 -20 -23 57 o 32.068  8.5413  162.440    67.649   228.943    152.417  146.125    75.492   32.219  12.883  29.634  9.3733  2.585014       15.93184 
1 1 1 -20 -23 58 o 29.831  8.4256  140.257    63.672   243.211    148.774  117.171    70.450   33.207  12.893  26.871  9.0880  6.335697       15.77438 
1 1 1 -20 -23 59 o 27.720  10.909  138.086    107.671  128.581    330.103  139.218    113.900  28.305  13.903  27.720  11.118  0.5850754      17.80193 
1 1 1 -20 -23 60 o 21.591  9.7317  32.555     107.677  -337.1096  322.709  78.866     114.223  22.934  11.607  24.041  10.465  -1.106533      15.62797 
1 1 1 -20 -23 61 o 26.904  11.008  137.022    114.229  -198.2845  369.000  172.560    120.130  24.412  12.361  28.979  11.485  -4.567459      16.87311 
1 1 1 -20 -22 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -22 2  o 12.309  4.8120  12.356     20.832   0.0000     0.0000   12.356     20.832   ?       ?       12.309  4.8120  0.000000       4.812028 
1 1 1 -20 -22 3  o 15.326  6.1206  17.987     34.358   67.818     89.360   9.3422     37.219   24.960  9.9014  14.829  6.1951  10.13113       11.67976 
1 1 1 -20 -22 4  o 19.657  5.8483  50.580     29.957   79.809     65.113   42.732     33.740   24.768  8.7219  18.580  6.2892  6.187208       10.75292 
1 1 1 -20 -22 5  f 13.516  5.2149  16.187     24.219   -90.0986   56.658   39.949     26.790   12.277  5.9716  17.712  5.5818  -5.435100      8.174125 
1 1 1 -20 -22 6  o 26.859  7.5265  98.680     51.017   60.162     79.940   125.148    66.266   23.902  9.4019  29.867  8.6474  -5.965406      12.77397 
1 1 1 -20 -22 7  o 26.792  8.4500  98.015     61.387   213.058    125.254  61.647     70.424   37.214  12.104  23.425  8.9285  13.78895       15.04104 
1 1 1 -20 -22 8  o 86.073  7.3159  978.060    151.343  0.0000     0.0000   978.060    151.343  ?       ?       86.073  7.3159  0.000000       7.315928 
1 1 1 -20 -22 9  o 38.428  4.7456  187.662    43.310   189.558    72.954   186.630    53.819   37.048  8.3192  37.798  6.0740  -0.7493782     10.30056 
1 1 1 -20 -22 10 o 46.019  4.2524  265.699    46.946   201.471    79.272   300.392    58.261   38.049  8.7667  48.656  5.0063  -10.60726      10.09549 
1 1 1 -20 -22 11 o 96.818  3.9051  1161.56    91.738   1115.66    149.012  1189.59    116.416  92.856  6.6580  97.250  4.9499  -4.394897      8.296373 
1 1 1 -20 -22 12 o 93.347  3.8690  1078.72    87.633   1211.20    141.953  997.133    111.393  97.368  6.0383  88.909  5.1860  8.459053       7.959622 
1 1 1 -20 -22 13 f 73.857  3.9341  677.147    70.248   649.580    116.071  693.080    88.245   70.740  6.8481  74.251  4.9260  -3.511787      8.435744 
1 1 1 -20 -22 14 o 67.964  3.9561  573.520    64.956   647.463    108.343  532.025    81.161   70.985  6.3576  64.913  5.1964  6.071930       8.211075 
1 1 1 -20 -22 15 o 46.341  4.5885  269.833    50.916   154.475    85.448   333.343    63.401   33.227  9.8752  51.331  5.1603  -18.10374      11.14221 
1 1 1 -20 -22 16 o 55.448  4.4574  384.420    59.463   377.038    96.010   389.013    75.738   53.446  7.6192  55.255  5.7325  -1.809078      9.534881 
1 1 1 -20 -22 17 o 26.833  7.2484  96.100     48.306   104.833    100.739  93.493     55.047   29.122  10.767  26.496  7.9379  2.626177       13.37701 
1 1 1 -20 -22 18 o 11.783  5.6266  -56.6449   45.052   -133.7879  87.338   -28.6759   52.589   15.343  7.4514  14.629  6.6754  0.7133541      10.00423 
1 1 1 -20 -22 19 o 58.162  6.0865  432.433    84.624   394.117    139.976  454.505    106.237  52.405  11.338  58.826  7.6221  -6.420670      13.66156 
1 1 1 -20 -22 20 o 32.485  8.3669  143.594    66.352   165.889    115.572  132.633    81.039   34.452  11.640  31.143  9.6911  3.309942       15.14629 
1 1 1 -20 -22 21 o 9.6086  4.7259  -77.7854   38.549   -9.7303    62.970   -118.5761  48.751   17.392  7.6643  10.126  5.0386  7.266412       9.172175 
1 1 1 -20 -22 22 o 38.157  5.8441  187.415    52.384   213.603    86.430   172.209    65.859   39.346  9.2150  35.809  7.8007  3.537888       12.07340 
1 1 1 -20 -22 23 o 57.833  4.5729  418.226    63.646   451.790    101.579  396.532    81.664   58.848  7.2684  55.642  6.1517  3.205742       9.522237 
1 1 1 -20 -22 24 o 12.676  6.0125  -55.6349   49.719   13.750     87.083   -89.1911   60.560   21.721  9.2922  13.053  6.3066  8.667855       11.23026 
1 1 1 -20 -22 25 o 29.030  7.8106  113.604    56.223   86.582     96.422   127.525    69.205   27.497  10.455  30.555  8.8345  -3.058075      13.68795 
1 1 1 -20 -22 26 o 59.194  8.8349  473.002    123.011  0.0000     0.0000   473.002    123.011  ?       ?       59.194  8.8349  0.000000       8.834929 
1 1 1 -20 -22 27 o 43.676  9.5387  265.566    98.256   146.520    206.178  300.546    111.763  35.428  14.672  46.106  10.255  -10.67750      17.90086 
1 1 1 -20 -22 28 o 62.976  15.629  650.271    237.688  650.271    237.688  0.0000     0.0000   62.976  15.629  ?       ?       0.000000       15.62874 
1 1 1 -20 -22 29 o 78.598  8.7119  831.405    163.350  831.405    163.350  0.0000     0.0000   78.598  8.7119  ?       ?       0.000000       8.711905 
1 1 1 -20 -22 30 o 93.172  8.1213  1153.76    181.765  1153.76    181.765  0.0000     0.0000   93.172  8.1213  ?       ?       0.000000       8.121326 
1 1 1 -20 -22 31 o 103.712 4.4742  1341.49    112.591  1529.84    189.788  1239.21    139.861  108.171 7.2732  98.564  5.8748  9.606750       9.349492 
1 1 1 -20 -22 32 o 53.958  5.2609  370.333    68.002   540.074    131.413  308.260    79.469   62.851  8.8631  48.350  6.9757  14.50127       11.27896 
1 1 1 -20 -22 33 o 33.357  6.1890  146.478    48.248   123.852    116.278  151.184    53.028   30.621  11.519  33.684  6.7237  -3.062597      13.33767 
1 1 1 -20 -22 34 o 83.178  4.2658  864.834    85.804   1009.84    157.635  803.781    102.285  87.294  7.5155  79.526  5.3316  7.767868       9.214618 
1 1 1 -20 -22 35 o 22.251  7.1353  64.630     43.631   141.790    111.349  50.634     47.423   31.656  11.378  20.672  7.4257  10.98433       13.58657 
1 1 1 -20 -22 36 o 23.357  7.0937  72.793     43.742   -27.8151   112.822  90.591     47.454   21.669  9.8450  25.826  7.2666  -4.156805      12.23635 
1 1 1 -20 -22 37 o 13.792  6.0658  -6.0877    39.266   40.641     112.060  -12.6281   41.924   24.857  10.585  13.748  6.1443  11.10874       12.23898 
1 1 1 -20 -22 38 o 16.114  6.5599  17.194     40.313   -35.0252   114.563  24.574     43.068   21.443  9.8107  17.252  6.8643  4.191624       11.97369 
1 1 1 -20 -22 39 o 11.367  5.5157  -73.9060   47.560   46.484     133.521  -91.4003   50.898   26.431  11.409  11.277  5.5228  15.15350       12.67555 
1 1 1 -20 -22 40 o 27.143  8.9488  102.031    68.374   194.513    140.490  73.327     78.269   35.183  12.761  24.738  9.4166  10.44440       15.85944 
1 1 1 -20 -22 41 o 14.957  6.8024  -23.4312   54.041   0.0000     0.0000   -23.4312   54.041   ?       ?       14.957  6.8024  0.000000       6.802445 
1 1 1 -20 -22 42 o 37.947  7.9330  200.617    70.692   0.0000     0.0000   200.617    70.692   ?       ?       37.947  7.9330  0.000000       7.932985 
1 1 1 -20 -22 43 o 31.022  8.8582  139.143    69.981   0.0000     0.0000   139.143    69.981   ?       ?       31.022  8.8582  0.000000       8.858170 
1 1 1 -20 -22 44 o 56.297  5.5499  411.734    74.825   354.916    154.127  429.254    85.587   45.443  13.197  56.966  6.2973  -11.52311      14.62255 
1 1 1 -20 -22 45 o 91.105  5.6831  1079.81    125.003  928.087    167.305  1271.55    188.074  80.977  8.6487  95.538  8.1924  -14.56104      11.91282 
1 1 1 -20 -22 46 o 42.318  9.8122  271.608    98.793   331.172    165.866  238.858    122.988  42.040  13.942  37.644  11.970  4.396217       18.37523 
1 1 1 -20 -22 47 o 16.392  7.6826  -50.8069   76.907   129.308    123.769  -164.0905  98.157   29.333  11.648  15.222  7.4974  14.11127       13.85198 
1 1 1 -20 -22 48 o 15.000  6.8107  -17.9114   53.882   -106.2604  100.784  17.448     63.759   16.950  8.1760  18.565  7.9467  -1.614552      11.40166 
1 1 1 -20 -22 49 o 14.639  6.6293  -15.3828   50.650   80.665     94.739   -53.8239   59.935   24.946  10.092  13.943  6.6096  11.00309       12.06397 
1 1 1 -20 -22 50 o 27.439  8.2911  112.992    59.866   60.982     108.068  136.020    71.908   24.096  10.331  29.548  9.1180  -5.452078      13.77917 
1 1 1 -20 -22 51 o 29.096  8.1097  127.651    59.395   1.4286     110.850  178.483    70.346   21.219  9.6861  34.206  8.5103  -12.98652      12.89360 
1 1 1 -20 -22 52 o 22.513  8.4928  70.455     63.303   53.328     130.295  75.746     72.426   24.212  10.825  23.273  9.0072  0.9384747      14.08254 
1 1 1 -20 -22 53 o 25.176  8.9127  98.169     68.081   99.894     139.249  97.628     78.045   26.274  11.492  25.121  9.4396  1.152891       14.87205 
1 1 1 -20 -22 54 o 27.245  8.9670  119.143    68.664   -2.5107    139.954  157.709    78.800   22.258  10.410  30.742  9.5547  -8.484264      14.13023 
1 1 1 -20 -22 55 o 15.557  7.2821  -36.3713   68.723   -80.1744   145.724  -23.8431   77.933   20.346  9.8182  17.108  7.9218  3.238157       12.61558 
1 1 1 -20 -22 56 o 29.659  10.020  151.456    85.645   219.269    165.709  126.739    100.042  31.434  13.097  27.214  10.571  4.219967       16.83083 
1 1 1 -20 -22 57 o 19.313  8.0266  36.700     62.023   -37.2027   144.682  53.339     68.651   21.449  10.198  21.051  8.5640  0.3981476      13.31663 
1 1 1 -20 -22 58 o 15.776  7.1271  -8.5757    58.134   -124.1445  139.864  15.560     63.917   18.993  9.2698  17.931  7.8162  1.061165       12.12530 
1 1 1 -20 -22 59 o 23.923  10.379  71.357     111.621  -140.0587  355.413  94.492     117.570  25.827  12.963  25.288  10.807  0.5395203      16.87695 
1 1 1 -20 -22 60 f 19.530  9.0083  -5.8180    99.339   227.896    324.842  -29.9293   104.337  29.527  14.348  18.958  8.9054  10.56958       16.88663 
1 1 1 -20 -22 61 o 21.233  9.5132  35.090     101.179  153.253    330.201  22.846     106.292  27.724  13.673  20.941  9.5301  6.783009       16.66685 
1 1 1 -20 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -21 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -21 3  o 44.303  5.7470  254.508    60.323   100.237    112.514  316.741    71.462   28.542  11.176  49.298  6.1048  -20.75565      12.73497 
1 1 1 -20 -21 4  o 37.932  4.4413  182.281    40.103   231.249    78.885   165.215    46.570   40.935  8.2275  35.666  5.5628  5.268990       9.931535 
1 1 1 -20 -21 5  o 58.558  3.9046  427.651    55.161   302.953    97.267   486.767    66.972   46.616  8.9245  62.237  4.4646  -15.62085      9.978919 
1 1 1 -20 -21 6  o 40.334  4.5340  205.785    43.605   174.081    85.361   216.979    50.722   34.841  9.7259  41.177  5.1921  -6.335472      11.02503 
1 1 1 -20 -21 7  o 19.343  7.3540  38.193     47.700   18.759     80.130   48.859     59.363   21.095  8.9660  21.505  8.1972  -0.4104424     12.14841 
1 1 1 -20 -21 8  o 22.582  8.0895  61.192     56.244   -47.9741   88.746   134.471    72.711   18.510  8.5295  31.070  9.0762  -12.56058      12.45516 
1 1 1 -20 -21 9  o 42.010  4.5368  222.415    45.511   179.031    75.495   247.181    57.041   35.947  8.7402  43.960  5.4657  -8.012711      10.30847 
1 1 1 -20 -21 10 o 47.446  4.2852  281.776    48.800   230.111    77.622   315.544    62.753   41.273  8.0401  49.853  5.2675  -8.580376      9.611933 
1 1 1 -20 -21 11 f 63.739  4.0477  505.012    62.276   486.612    103.639  515.410    77.910   61.063  7.1291  63.968  5.0609  -2.905113      8.742790 
1 1 1 -20 -21 12 o 116.930 4.0869  1692.79    115.953  1527.77    182.990  1803.51    149.885  108.837 6.9658  119.987 5.1482  -11.14996      8.661788 
1 1 1 -20 -21 13 o 116.361 4.0654  1675.06    114.783  1576.72    180.887  1741.35    148.513  110.849 6.7576  117.925 5.1903  -7.076111      8.520800 
1 1 1 -20 -21 14 o 96.316  3.9883  1146.27    93.208   1112.01    148.229  1168.67    119.873  93.214  6.5963  96.556  5.1350  -3.341660      8.359444 
1 1 1 -20 -21 15 o 126.995 4.2054  1995.91    129.587  1897.45    201.122  2065.79    169.450  121.711 6.8380  128.352 5.4409  -6.641182      8.738555 
1 1 1 -20 -21 16 o 40.582  5.0845  208.434    48.967   175.928    82.551   226.080    60.823   35.713  9.3987  41.904  6.1665  -6.190598      11.24104 
1 1 1 -20 -21 17 o 42.744  5.2749  231.482    53.547   204.549    119.676  238.223    59.874   37.849  11.777  43.158  5.8699  -5.309624      13.15852 
1 1 1 -20 -21 18 o 21.444  8.0272  48.245     56.334   118.872    99.961   15.375     68.194   30.453  10.798  19.857  8.3465  10.59594       13.64750 
1 1 1 -20 -21 19 o 90.803  5.8278  1040.41    127.723  947.083    193.537  1112.41    169.997  83.855  9.6904  92.659  7.6290  -8.803802      12.33312 
1 1 1 -20 -21 20 o 82.392  5.8085  856.891    115.378  894.487    175.434  828.235    153.162  82.072  8.9549  79.609  8.0392  2.462502       12.03411 
1 1 1 -20 -21 21 o 80.134  4.1646  795.447    80.697   766.208    126.465  815.529    104.807  77.329  6.8095  80.587  5.3911  -3.257751      8.685236 
1 1 1 -20 -21 22 o 89.099  4.0998  980.444    88.633   929.881    139.145  1014.97    114.977  85.245  6.7833  89.988  5.2891  -4.742249      8.601586 
1 1 1 -20 -21 23 o 28.805  7.1836  110.209    50.038   92.501     81.275   121.018    63.499   27.389  9.7336  29.982  8.3952  -2.592838      12.85393 
1 1 1 -20 -21 24 o 30.454  8.2369  124.980    62.333   330.625    118.022  45.427     73.406   48.747  10.301  22.726  8.9871  26.02089       13.67019 
1 1 1 -20 -21 25 o 45.951  6.3378  271.853    68.784   251.155    124.769  280.890    82.445   41.636  11.807  46.156  7.6281  -4.519981      14.05659 
1 1 1 -20 -21 26 o 138.063 6.6229  2427.56    221.864  2421.49    366.814  2431.06    278.602  131.270 11.637  135.908 8.4909  -4.637924      14.40540 
1 1 1 -20 -21 27 o 89.224  13.079  1166.91    274.741  1166.91    274.741  0.0000     0.0000   89.224  13.079  ?       ?       0.000000       13.07875 
1 1 1 -20 -21 28 o 113.134 12.139  1834.87    328.015  1834.87    328.015  0.0000     0.0000   113.134 12.139  ?       ?       0.000000       12.13883 
1 1 1 -20 -21 29 o 113.991 11.907  1859.75    324.476  1859.75    324.476  0.0000     0.0000   113.991 11.907  ?       ?       0.000000       11.90705 
1 1 1 -20 -21 30 o 58.501  5.1620  432.162    72.521   581.749    126.273  358.537    88.589   66.242  8.0196  52.300  7.1696  13.94167       10.75723 
1 1 1 -20 -21 31 o 43.001  5.7309  237.477    58.306   485.632    117.531  156.468    67.152   60.231  8.2596  33.816  8.2559  26.41460       11.67824 
1 1 1 -20 -21 32 o 33.974  6.3225  151.602    50.201   248.790    117.804  130.038    55.492   41.026  11.416  31.019  7.4635  10.00748       13.63941 
1 1 1 -20 -21 33 o 23.519  7.2306  72.868     45.268   124.316    115.104  63.455     49.235   30.787  11.484  22.441  7.5974  8.346041       13.76981 
1 1 1 -20 -21 34 o 27.775  6.9416  103.798    46.652   144.501    136.184  98.386     49.657   32.651  12.423  26.967  7.3760  5.683783       14.44764 
1 1 1 -20 -21 35 o 43.754  5.3975  245.531    56.089   330.279    124.294  223.860    62.852   47.305  11.032  41.266  6.4915  6.038502       12.79984 
1 1 1 -20 -21 36 f 68.424  4.4713  587.841    73.827   737.969    143.308  533.605    86.136   74.001  8.1143  64.592  5.5499  9.409286       9.830733 
1 1 1 -20 -21 37 o 44.549  5.5230  255.702    58.421   406.508    125.432  213.924    66.019   53.197  10.087  39.968  7.0661  13.22934       12.31540 
1 1 1 -20 -21 38 f 66.498  4.6015  557.419    73.791   649.301    142.561  523.793    86.242   68.630  8.7608  63.867  5.6225  4.763374       10.40982 
1 1 1 -20 -21 39 o 26.262  9.0475  92.357     69.873   271.878    144.937  38.001     79.752   40.955  12.991  22.180  9.1503  18.77520       15.89024 
1 1 1 -20 -21 40 o 44.952  9.3685  288.748    98.871   0.0000     0.0000   288.748    98.871   ?       ?       44.952  9.3685  0.000000       9.368526 
1 1 1 -20 -21 41 o 52.819  8.9269  391.797    110.331  0.0000     0.0000   391.797    110.331  ?       ?       52.819  8.9269  0.000000       8.926854 
1 1 1 -20 -21 42 o 27.278  9.1466  103.328    71.355   0.0000     0.0000   103.328    71.355   ?       ?       27.278  9.1466  0.000000       9.146619 
1 1 1 -20 -21 43 o 35.636  6.1446  168.617    51.212   168.131    69.585   169.192    75.643   34.410  8.4062  34.204  8.9946  0.2058754      12.31125 
1 1 1 -20 -21 44 o 47.107  4.7930  283.794    54.022   265.143    69.179   312.943    86.484   44.531  6.6025  47.665  7.7436  -3.134045      10.17625 
1 1 1 -20 -21 45 o 59.895  5.9979  470.966    85.995   512.068    185.202  459.669    97.097   53.971  14.017  58.398  6.9915  -4.426804      15.66400 
1 1 1 -20 -21 46 o 32.268  10.222  160.100    89.749   19.436     158.087  226.998    109.021  25.858  11.711  37.598  11.150  -11.73985      16.16999 
1 1 1 -20 -21 47 o 31.195  10.094  150.400    87.167   112.424    147.006  170.991    108.250  29.073  12.239  32.525  11.258  -3.451986      16.62942 
1 1 1 -20 -21 48 o 33.680  5.9826  153.031    47.100   148.206    59.369   161.225    77.370   32.130  7.7130  32.483  9.3263  -0.3528900     12.10247 
1 1 1 -20 -21 49 o 22.663  7.0604  71.710     43.000   57.325     53.009   99.387     73.529   21.166  7.8136  26.035  9.2576  -4.869022      12.11422 
1 1 1 -20 -21 50 o 16.995  6.5709  30.580     38.514   79.530     46.958   -70.0363   67.323   23.616  7.3816  14.254  6.8261  9.361680       10.05404 
1 1 1 -20 -21 51 o 17.048  6.4135  33.406     36.048   62.544     42.683   -39.0696   67.318   21.237  7.0738  15.502  7.2404  5.735128       10.12232 
1 1 1 -20 -21 52 o 17.285  6.8989  29.751     43.627   -39.1305   53.891   160.732    74.314   13.642  6.4058  31.806  9.1427  -18.16385      11.16348 
1 1 1 -20 -21 53 o 13.732  6.0025  0.7283     37.928   -26.2610   43.753   82.328     76.077   12.742  5.9126  23.880  9.2344  -11.13822      10.96512 
1 1 1 -20 -21 54 o 11.347  5.2327  -19.3188   33.488   -6.1178    37.597   -70.0075   73.672   13.087  5.8358  14.822  7.1092  -1.734842      9.197726 
1 1 1 -20 -21 55 o 24.551  7.4199  89.574     47.942   90.344     53.182   86.230     110.769  24.485  7.8803  24.869  10.555  -0.3844814     13.17221 
1 1 1 -20 -21 56 o 20.028  7.0695  55.007     42.803   73.475     47.583   -23.2914   97.976   22.449  7.4683  18.950  8.8118  3.499590       11.55093 
1 1 1 -20 -21 57 o 38.742  5.5456  203.585    50.644   225.391    63.927   166.834    82.990   39.735  6.8797  31.480  9.8089  8.254221       11.98097 
1 1 1 -20 -21 58 o 25.783  7.0257  97.341     45.151   104.242    55.311   83.557     78.168   26.154  7.9844  23.918  9.3294  2.235847       12.27961 
1 1 1 -20 -21 59 o 19.819  9.0689  -1.4682    97.936   -65.4554   317.471  5.2615     102.957  26.195  13.005  20.456  9.3366  5.738285       16.00968 
1 1 1 -20 -21 60 o 19.200  8.9478  -20.4834   101.912  466.781    351.043  -65.3301   106.498  33.503  15.916  18.003  8.6119  15.49940       18.09613 
1 1 1 -20 -21 61 o 38.191  12.118  299.183    126.109  149.078    374.752  318.352    133.919  28.013  13.945  38.761  12.508  -10.74766      18.73260 
1 1 1 -20 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -20 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -20 3  o 33.965  6.0708  151.595    48.194   84.333     89.284   179.251    57.251   26.488  10.063  36.735  6.6687  -10.24718      12.07241 
1 1 1 -20 -20 4  o 33.931  4.4731  146.075    35.929   162.274    71.514   140.605    41.555   34.100  8.6345  32.968  5.3804  1.131901       10.17362 
1 1 1 -20 -20 5  o 88.730  3.8543  975.553    82.981   1044.44    143.680  941.076    101.648  89.781  6.6427  86.492  4.8632  3.288368       8.232598 
1 1 1 -20 -20 6  o 90.060  3.8513  1004.19    84.160   913.220    139.827  1055.87    105.387  83.783  6.9406  91.758  4.7497  -7.975098      8.410230 
1 1 1 -20 -20 7  o 105.810 5.8278  1423.25    149.045  1264.68    245.518  1515.79    187.560  94.574  10.899  107.925 7.2037  -13.35048      13.06411 
1 1 1 -20 -20 8  o 85.265  5.6816  921.892    116.872  822.070    194.917  977.924    146.035  76.388  10.819  86.885  6.9861  -10.49701      12.87825 
1 1 1 -20 -20 9  o 21.524  6.1757  60.364     33.935   31.590     52.362   81.202     44.560   19.281  7.6013  24.769  7.0671  -5.487904      10.37894 
1 1 1 -20 -20 10 o 103.319 3.9473  1318.95    98.956   1088.12    155.954  1474.52    128.031  91.818  7.0541  108.741 4.8524  -16.92309      8.561883 
1 1 1 -20 -20 11 o 173.506 4.8753  3751.37    205.249  2908.74    310.091  4408.37    273.813  148.446 8.6465  186.770 6.0420  -38.32346      10.54839 
1 1 1 -20 -20 12 f 87.730  3.9290  949.658    83.635   940.367    134.500  955.515    106.791  85.845  6.5055  87.387  5.0581  -1.541451      8.240527 
1 1 1 -20 -20 13 o 111.165 4.1014  1526.23    110.629  1324.16    172.502  1667.40    144.184  101.608 7.0402  115.611 5.1399  -14.00319      8.716842 
1 1 1 -20 -20 14 o 27.028  6.8835  96.436     45.265   67.848     71.385   115.661    58.539   24.574  9.0681  29.407  7.9942  -4.833000      12.08877 
1 1 1 -20 -20 15 o 85.614  3.9453  903.322    81.958   860.060    131.717  930.653    104.695  82.129  6.6673  86.351  5.0184  -4.222885      8.344897 
1 1 1 -20 -20 16 o 116.989 4.0682  1687.82    115.483  1601.77    180.812  1747.11    150.082  112.274 6.6671  118.405 5.2239  -6.131721      8.469913 
1 1 1 -20 -20 17 o 119.293 4.1029  1754.97    118.759  1697.22    184.335  1795.95    155.280  115.674 6.5949  120.008 5.3326  -4.334709      8.481149 
1 1 1 -20 -20 18 o 137.334 5.1943  2348.01    173.089  2169.97    222.971  2618.01    274.577  130.453 7.0706  142.389 7.9795  -11.93611      10.66141 
1 1 1 -20 -20 19 o 66.385  6.1895  558.571    98.549   458.266    151.476  632.186    129.768  57.331  11.291  69.820  7.7929  -12.48919      13.71910 
1 1 1 -20 -20 20 o 64.185  6.4266  524.111    98.741   615.976    148.999  452.174    131.851  68.039  9.2663  57.892  9.7317  10.14725       13.43759 
1 1 1 -20 -20 21 o 61.695  5.0668  476.105    75.178   531.694    157.466  459.693    85.559   62.164  10.833  60.285  5.9257  1.879269       12.34808 
1 1 1 -20 -20 22 o 141.231 4.4613  2466.55    152.881  2370.98    235.147  2536.53    201.211  136.316 7.1341  142.272 5.8286  -5.955902      9.212416 
1 1 1 -20 -20 23 o 125.453 4.8231  1952.94    146.817  2048.70    289.246  1919.70    170.400  124.097 9.6826  123.855 5.6701  0.2424011      11.22064 
1 1 1 -20 -20 24 o 122.286 4.4107  1849.36    130.874  1927.37    209.796  1799.66    167.450  122.850 7.0679  119.832 5.7590  3.018211       9.117109 
1 1 1 -20 -20 25 o 88.515  4.5397  972.805    97.173   1023.61    165.009  945.832    120.233  88.924  7.7243  86.681  5.7492  2.243324       9.629070 
1 1 1 -20 -20 26 o 33.018  11.532  144.557    113.702  144.557    113.702  0.0000     0.0000   33.018  11.532  ?       ?       0.000000       11.53188 
1 1 1 -20 -20 27 o 105.046 12.200  1562.12    305.164  1562.12    305.164  0.0000     0.0000   105.046 12.200  ?       ?       0.000000       12.19978 
1 1 1 -20 -20 28 o 91.977  13.110  1230.91    284.292  1230.91    284.292  0.0000     0.0000   91.977  13.110  ?       ?       0.000000       13.10963 
1 1 1 -20 -20 29 o 184.081 7.3494  4364.25    328.265  4408.26    515.012  4334.13    426.021  176.213 12.119  179.199 9.8355  -2.986115      15.60781 
1 1 1 -20 -20 30 o 99.851  4.2168  1234.99    102.165  1617.20    176.508  1042.43    125.284  112.529 6.4921  90.801  5.7156  21.72803       8.649615 
1 1 1 -20 -20 31 o 23.095  7.1162  69.333     43.818   90.015     106.804  65.147     48.048   28.296  10.942  22.702  7.5024  5.594234       13.26680 
1 1 1 -20 -20 32 o 89.263  4.2756  989.192    92.605   1131.79    166.708  925.552    111.369  93.122  7.4401  85.624  5.3880  7.498718       9.186177 
1 1 1 -20 -20 33 o 106.930 4.2862  1420.97    111.209  1924.03    193.458  1172.69    135.909  122.367 6.5393  95.999  5.8628  26.36845       8.782657 
1 1 1 -20 -20 34 o 87.926  4.2582  961.363    90.847   1301.75    157.470  791.555    111.222  100.534 6.4900  78.743  5.8632  21.79102       8.746269 
1 1 1 -20 -20 35 o 88.590  3.9106  972.975    84.060   949.625    123.031  993.420    115.121  86.164  5.9206  88.528  5.3849  -2.363533      8.003177 
1 1 1 -20 -20 36 o 39.992  5.2290  204.845    49.525   263.047    71.296   150.574    68.846   44.659  6.7936  32.886  8.5488  11.77339       10.91947 
1 1 1 -20 -20 37 o 49.113  4.6192  304.574    54.399   395.088    79.309   224.156    74.756   55.287  6.0088  40.563  7.8793  14.72334       9.909060 
1 1 1 -20 -20 38 o 64.072  4.2369  514.183    65.497   581.503    95.362   454.067    90.115   67.189  5.9095  59.025  6.3944  8.163528       8.706910 
1 1 1 -20 -20 39 o 50.637  9.0145  358.419    106.698  0.0000     0.0000   358.419    106.698  ?       ?       50.637  9.0145  0.000000       9.014508 
1 1 1 -20 -20 40 o 54.571  8.8570  414.307    113.257  0.0000     0.0000   414.307    113.257  ?       ?       54.571  8.8570  0.000000       8.857030 
1 1 1 -20 -20 41 o 24.222  9.0514  70.768     71.566   0.0000     0.0000   70.768     71.566   ?       ?       24.222  9.0514  0.000000       9.051450 
1 1 1 -20 -20 42 o 37.268  5.7967  181.768    50.714   194.717    72.007   169.023    71.438   37.368  8.1695  34.560  8.5629  2.808670       11.83488 
1 1 1 -20 -20 43 o 45.538  4.8629  264.908    52.901   252.518    68.668   282.999    82.973   43.494  6.7237  45.409  7.8124  -1.915627      10.30731 
1 1 1 -20 -20 44 o 47.037  4.7635  282.381    53.617   279.826    69.297   286.191    84.632   45.952  6.3879  45.476  7.9599  0.4757080      10.20618 
1 1 1 -20 -20 45 o 41.609  7.6212  239.187    74.109   13.249     164.306  296.890    83.035   26.330  11.930  46.448  7.6328  -20.11847      14.16315 
1 1 1 -20 -20 46 o 20.691  8.9517  17.402     82.568   -37.0752   128.632  55.579     107.681  22.064  10.203  24.800  10.459  -2.735826      14.61159 
1 1 1 -20 -20 47 o 62.712  7.9002  548.532    117.545  571.999    200.202  536.186    145.208  55.483  14.653  59.259  10.482  -3.776077      18.01679 
1 1 1 -20 -20 48 o 15.011  6.2635  11.840     37.979   23.384     45.564   -14.4373   68.744   17.148  6.9767  17.200  7.7622  -0.5229568E-01 10.43675 
1 1 1 -20 -20 49 f 17.596  6.7972  32.688     41.186   10.057     49.693   82.341     73.607   16.407  7.0191  24.528  9.1769  -8.121376      11.55350 
1 1 1 -20 -20 50 o 11.856  5.4075  -16.4918   34.461   -12.0243   43.544   -23.9797   56.373   13.781  6.2023  14.942  6.8529  -1.160569      9.242878 
1 1 1 -20 -20 51 o 39.977  5.1201  210.943    48.524   192.917    64.707   234.108    73.350   36.568  7.5430  40.159  7.8088  -3.590622      10.85701 
1 1 1 -20 -20 52 o 40.796  5.7579  225.062    55.412   184.381    70.319   291.705    90.003   34.881  8.4071  43.811  8.7725  -8.930416      12.15060 
1 1 1 -20 -20 53 o 39.642  5.8157  213.973    54.277   199.311    68.637   238.444    88.675   36.563  7.9622  38.511  9.5392  -1.947353      12.42551 
1 1 1 -20 -20 54 o 27.798  7.0439  112.629    47.569   151.571    59.193   41.618     79.932   31.844  7.7371  21.013  8.9436  10.83067       11.82589 
1 1 1 -20 -20 55 o 47.096  5.9750  303.829    66.743   302.240    78.733   307.885    125.818  45.712  7.3474  40.344  11.981  5.367306       14.05480 
1 1 1 -20 -20 56 o 14.006  6.2394  -5.1128    42.867   -17.8045   47.089   56.296     103.579  13.768  6.2957  23.079  10.005  -9.310698      11.82131 
1 1 1 -20 -20 57 o 23.071  6.8383  76.765     41.014   88.503     49.710   51.737     72.588   24.421  7.5886  21.271  8.7471  3.149961       11.58010 
1 1 1 -20 -20 58 o 17.811  6.7629  37.733     40.307   27.876     48.710   59.143     71.790   17.521  7.1805  21.804  8.7978  -4.282974      11.35612 
1 1 1 -20 -20 59 o 30.816  11.338  176.426    111.473  295.553    355.538  163.439    117.392  31.572  15.260  29.711  11.476  1.861094       19.09407 
1 1 1 -20 -20 60 o 21.700  11.033  -528.2143  316.410  -528.2143  316.410  0.0000     0.0000   21.700  11.033  ?       ?       0.000000       11.03349 
1 1 1 -20 -20 61 o 23.809  10.229  78.255     106.333  183.072    312.060  64.486     113.102  28.571  13.923  23.305  10.271  5.266588       17.30156 
1 1 1 -20 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -19 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -19 3  o 44.479  5.3973  253.136    57.056   274.613    103.174  243.674    68.480   43.909  9.9181  43.004  6.7880  0.9049721      12.01858 
1 1 1 -20 -19 4  o 43.428  3.9606  235.535    41.276   163.752    74.173   267.736    49.679   34.309  8.8514  46.142  4.4942  -11.83323      9.926970 
1 1 1 -20 -19 5  o 23.557  5.5626  72.702     31.287   48.905     55.520   83.775     37.872   21.285  7.9688  25.166  6.2344  -3.881262      10.11775 
1 1 1 -20 -19 6  o 32.623  4.9180  135.703    37.719   183.712    66.893   113.321    45.673   36.977  7.7056  29.245  6.5939  7.731796       10.14177 
1 1 1 -20 -19 7  o 91.879  5.6959  1067.71    126.355  954.321    212.231  1129.97    157.265  82.628  10.848  93.592  6.9752  -10.96461      12.89688 
1 1 1 -20 -19 8  o 98.539  7.2458  1254.72    172.030  0.0000     0.0000   1254.72    172.030  ?       ?       98.539  7.2458  0.000000       7.245844 
1 1 1 -20 -19 9  o 76.751  3.7302  725.672    69.468   673.316    111.709  758.686    88.706   72.624  6.4049  77.996  4.7093  -5.372406      7.949843 
1 1 1 -20 -19 10 o 122.667 4.0909  1857.99    121.762  1569.16    189.489  2061.13    158.913  110.614 7.0975  128.582 5.0935  -17.96771      8.736044 
1 1 1 -20 -19 11 o 137.767 4.2786  2345.78    143.026  1988.30    219.519  2609.47    188.536  124.490 7.2992  144.537 5.3759  -20.04716      9.065250 
1 1 1 -20 -19 12 o 99.598  3.9924  1222.43    96.483   1146.21    151.711  1274.20    125.024  94.961  6.6258  101.065 5.1150  -6.104729      8.370462 
1 1 1 -20 -19 13 o 45.963  4.8345  264.709    53.109   245.990    84.407   276.976    68.330   42.984  8.3941  46.569  6.2013  -3.585594      10.43636 
1 1 1 -20 -19 14 o 22.669  7.1508  65.048     43.960   49.478     91.019   69.785     50.204   24.747  9.9340  23.577  7.6630  1.170048       12.54611 
1 1 1 -20 -19 15 o 32.595  5.9629  136.836    45.422   152.755    75.323   127.739    56.940   33.657  9.0341  31.051  7.6155  2.606195       11.81571 
1 1 1 -20 -19 16 o 63.682  4.3369  502.450    66.615   464.385    104.903  528.171    86.232   60.057  7.3524  64.886  5.5300  -4.828770      9.199869 
1 1 1 -20 -19 17 o 112.716 4.5524  1569.47    124.505  1546.64    234.988  1578.39    146.805  108.822 8.9797  112.641 5.3713  -3.818825      10.46356 
1 1 1 -20 -19 18 o 23.042  7.5404  65.896     48.580   31.828     73.981   91.720     64.412   21.897  8.8972  26.811  8.6771  -4.913912      12.42791 
1 1 1 -20 -19 19 o 38.618  8.8608  200.032    81.267   72.807     125.078  292.977    106.907  28.932  11.634  46.523  9.7810  -17.59102      15.19943 
1 1 1 -20 -19 20 o 32.130  9.9051  137.654    84.883   104.759    144.884  154.846    104.741  32.015  12.637  34.032  11.069  -2.016319      16.79918 
1 1 1 -20 -19 21 o 23.484  9.3757  44.006     80.596   95.442     143.786  20.442     97.322   31.403  12.527  23.494  9.9281  7.908308       15.98445 
1 1 1 -20 -19 22 o 109.279 4.2671  1472.02    113.146  1397.75    177.960  1522.40    146.589  104.872 7.0343  110.578 5.4635  -5.705521      8.906783 
1 1 1 -20 -19 23 o 58.610  4.8156  428.051    67.878   399.195    113.595  444.076    84.653   54.941  8.8195  59.297  5.9646  -4.355431      10.64704 
1 1 1 -20 -19 24 o 18.693  7.5993  21.347     54.008   84.973     90.786   -13.5045   67.190   27.478  10.209  17.885  7.8973  9.593603       12.90713 
1 1 1 -20 -19 25 o 33.618  10.923  152.079    102.008  152.079    102.008  0.0000     0.0000   33.618  10.923  ?       ?       0.000000       10.92295 
1 1 1 -20 -19 26 o 47.782  10.096  312.914    113.387  312.914    113.387  0.0000     0.0000   47.782  10.096  ?       ?       0.000000       10.09611 
1 1 1 -20 -19 27 o 100.528 11.106  1385.53    266.366  1385.53    266.366  0.0000     0.0000   100.528 11.106  ?       ?       0.000000       11.10556 
1 1 1 -20 -19 28 o 148.292 6.8021  2794.21    244.750  2669.84    383.497  2879.67    317.913  138.990 11.474  147.987 8.8949  -8.997055      14.51799 
1 1 1 -20 -19 29 o 135.678 6.4489  2331.99    212.305  2398.79    345.849  2291.60    268.941  132.272 10.872  132.336 8.4194  -0.6425476E-01 13.75098 
1 1 1 -20 -19 30 o 79.258  4.3619  780.345    83.562   769.639    138.842  786.426    104.635  76.974  7.5302  79.034  5.4904  -2.060081      9.319241 
1 1 1 -20 -19 31 o 89.366  3.9325  986.149    85.272   981.951    124.483  989.860    117.047  88.070  5.8587  88.663  5.4674  -0.5926437     8.013538 
1 1 1 -20 -19 32 o 90.255  3.9637  1006.93    86.802   1127.30    126.830  900.871    119.052  94.512  5.5550  84.272  5.8587  10.24019       8.073507 
1 1 1 -20 -19 33 o 14.723  6.1494  7.8139     36.659   -8.0744    53.435   21.941     50.387   16.090  7.0763  18.108  7.3480  -2.017738      10.20135 
1 1 1 -20 -19 34 o 31.106  6.1578  126.963    44.831   162.433    64.328   93.465     62.514   34.622  7.8396  26.541  8.5440  8.081009       11.59566 
1 1 1 -20 -19 35 o 52.710  4.5718  349.058    57.893   469.631    85.937   248.868    78.337   60.534  5.9268  43.027  7.7902  17.50692       9.788537 
1 1 1 -20 -19 36 o 55.846  4.5331  391.742    60.897   350.529    89.588   427.140    83.028   51.390  7.3978  57.601  6.0299  -6.211155      9.544006 
1 1 1 -20 -19 37 o 40.903  5.1635  213.843    50.105   294.114    73.431   143.910    68.540   47.395  6.5614  32.142  8.6137  15.25246       10.82809 
1 1 1 -20 -19 38 o 26.996  8.5249  99.178     62.465   0.0000     0.0000   99.178     62.465   ?       ?       26.996  8.5249  0.000000       8.524944 
1 1 1 -20 -19 39 o 46.731  9.0494  305.631    98.903   0.0000     0.0000   305.631    98.903   ?       ?       46.731  9.0494  0.000000       9.049450 
1 1 1 -20 -19 40 o 27.591  9.7207  101.985    80.890   0.0000     0.0000   101.985    80.890   ?       ?       27.591  9.7207  0.000000       9.720705 
1 1 1 -20 -19 41 o 54.509  5.6147  382.443    73.198   476.123    95.287   247.578    114.330  60.225  6.6305  40.370  11.251  19.85550       13.05963 
1 1 1 -20 -19 42 o 29.567  6.1578  116.418    42.743   124.519    54.356   103.294    69.186   30.091  7.4775  27.368  9.0007  2.723377       11.70155 
1 1 1 -20 -19 43 o 17.395  6.7804  28.091     41.267   14.554     50.678   54.733     71.094   17.247  7.2191  22.717  8.8872  -5.470274      11.44978 
1 1 1 -20 -19 44 o 49.273  4.7922  309.426    56.569   289.715    72.508   340.084    90.430   46.703  6.5809  49.898  7.7182  -3.194855      10.14289 
1 1 1 -20 -19 45 o 18.469  8.2243  -8.3705    74.394   310.991    127.257  -174.1794  91.694   44.303  11.674  14.479  7.1530  29.82400       13.69127 
1 1 1 -20 -19 46 o 31.950  10.547  155.521    94.967   17.598     157.889  233.704    118.874  26.043  11.757  37.986  11.724  -11.94298      16.60350 
1 1 1 -20 -19 47 o 36.101  9.4527  195.371    83.778   229.882    162.154  182.804    97.850   35.984  13.588  34.131  10.654  1.853268       17.26663 
1 1 1 -20 -19 48 o 13.310  5.8097  -1.8736    35.420   -11.9508   46.164   12.551     55.231   14.313  6.4184  17.385  7.4178  -3.072085      9.809178 
1 1 1 -20 -19 49 o 22.882  6.7307  72.571     39.864   12.721     52.994   150.577    60.500   17.059  7.2720  32.332  7.8015  -15.27261      10.66516 
1 1 1 -20 -19 50 o 30.689  6.1532  128.959    44.224   160.899    57.567   82.964     69.081   33.680  7.2583  24.371  8.9318  9.309254       11.50918 
1 1 1 -20 -19 51 o 32.165  6.0412  141.503    45.418   131.484    59.212   155.823    70.788   29.794  8.0152  31.892  8.8407  -2.098158      11.93322 
1 1 1 -20 -19 52 o 12.633  5.6910  -11.2136   36.764   0.1679     42.300   -46.3567   74.330   14.438  6.3242  16.005  7.5179  -1.567196      9.824166 
1 1 1 -20 -19 53 o 27.330  7.1197  108.492    47.685   101.257    60.309   120.561    77.890   25.842  8.3988  27.499  9.5479  -1.656925      12.71627 
1 1 1 -20 -19 54 f 9.1937  4.5004  -58.6919   33.684   -57.3077   39.076   -62.6957   66.458   10.303  4.9995  14.277  6.8223  -3.974054      8.458009 
1 1 1 -20 -19 55 o 26.430  7.3288  103.032    48.639   105.618    54.508   92.926     107.752  26.455  7.8929  25.400  10.570  1.055176       13.19186 
1 1 1 -20 -19 56 f 27.526  7.6238  113.167    52.666   121.009    59.082   82.828     116.205  28.116  8.1725  25.051  10.726  3.064117       13.48460 
1 1 1 -20 -19 57 o 16.413  6.4630  27.496     37.813   34.894     44.917   9.4954     70.064   17.901  7.0456  18.261  8.0638  -0.3597355     10.70814 
1 1 1 -20 -19 58 o 19.858  7.1139  52.738     43.495   29.240     53.287   99.648     75.290   18.105  7.4752  25.431  9.3240  -7.326128      11.95053 
1 1 1 -20 -19 59 o 25.325  10.823  88.688     117.919  347.120    322.277  48.742     126.705  33.084  15.576  23.730  10.638  9.353743       18.86165 
1 1 1 -20 -19 60 o 33.597  11.650  218.245    115.933  271.379    259.307  204.971    129.608  31.607  14.570  31.883  12.122  -0.2753792     18.95366 
1 1 1 -20 -19 61 o 23.475  10.185  70.062     107.497  -56.7948   267.575  94.478     117.386  24.748  12.225  24.994  10.743  -0.2456741     16.27427 
1 1 1 -20 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -18 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -18 3  o 22.434  6.3720  66.120     36.310   130.988    75.398   46.533     41.431   30.790  9.3049  19.842  6.9594  10.94841       11.61959 
1 1 1 -20 -18 4  o 100.449 4.3284  1252.85    105.495  1126.33    228.993  1286.93    118.860  89.738  10.729  101.524 4.8251  -11.78572      11.76450 
1 1 1 -20 -18 5  o 99.233  3.8438  1215.74    92.552   1132.32    150.926  1266.02    117.168  93.951  6.6638  100.782 4.7914  -6.830460      8.207582 
1 1 1 -20 -18 6  o 18.638  5.8842  43.513     29.761   14.448     49.939   59.521     37.061   17.421  7.2184  21.506  6.5291  -4.084835      9.733130 
1 1 1 -20 -18 7  o 49.813  6.2548  318.020    73.932   307.601    129.152  323.098    90.167   46.291  11.539  49.537  7.7562  -3.245316      13.90351 
1 1 1 -20 -18 8  o 14.891  6.6557  -16.7893   49.211   -113.5685  89.427   25.246     58.937   16.323  7.8300  19.569  7.9450  -3.246799      11.15488 
1 1 1 -20 -18 9  o 65.696  3.7814  532.722    60.023   451.040    97.834   582.024    76.009   59.230  6.9390  68.402  4.6065  -9.171440      8.328793 
1 1 1 -20 -18 10 o 67.902  3.7584  568.547    61.682   536.029    98.810   589.311    78.956   64.963  6.3498  68.805  4.7586  -3.842232      7.935041 
1 1 1 -20 -18 11 o 60.998  3.8381  459.227    56.517   372.138    90.020   515.889    72.612   53.771  7.0711  64.407  4.6782  -10.63670      8.478621 
1 1 1 -20 -18 12 o 61.022  4.3981  461.726    64.683   470.411    133.935  459.084    73.869   59.306  9.6385  60.633  5.0674  -1.327770      10.88941 
1 1 1 -20 -18 13 o 109.454 3.9826  1473.20    105.770  1427.90    166.049  1504.13    137.207  106.427 6.4607  110.109 5.1355  -3.682465      8.253168 
1 1 1 -20 -18 14 o 73.346  4.0731  663.636    72.201   681.783    113.531  651.312    93.559   73.454  6.4348  72.219  5.3777  1.235802       8.386046 
1 1 1 -20 -18 15 o 54.177  4.6201  364.773    60.154   320.578    94.053   395.365    78.251   49.554  8.1023  56.034  5.8413  -6.480198      9.988378 
1 1 1 -20 -18 16 o 35.224  6.3522  159.691    52.293   153.579    79.852   164.279    69.195   33.847  9.3921  35.196  8.2468  -1.348583      12.49886 
1 1 1 -20 -18 17 o 42.413  6.1452  228.945    61.399   337.193    119.702  190.297    71.525   49.949  10.221  38.012  8.0077  11.93755       12.98433 
1 1 1 -20 -18 18 o 65.214  4.5538  526.781    71.605   447.297    114.737  577.487    91.642   58.676  8.2899  67.944  5.6089  -9.268433      10.00909 
1 1 1 -20 -18 19 o 31.461  9.8776  129.857    83.978   86.414     141.988  153.230    104.147  30.993  12.419  34.044  11.035  -3.050861      16.61380 
1 1 1 -20 -18 20 o 63.542  6.9485  513.671    105.384  346.929    173.805  610.612    132.523  48.983  13.951  68.798  8.0934  -19.81593      16.12845 
1 1 1 -20 -18 21 o 47.062  7.8512  288.175    86.495   276.431    152.845  293.708    104.910  44.136  13.228  46.824  9.5574  -2.687820      16.31949 
1 1 1 -20 -18 22 o 31.352  7.1024  128.635    52.777   58.103     84.075   174.503    67.800   24.967  9.6929  36.387  7.9053  -11.42039      12.50787 
1 1 1 -20 -18 23 o 59.332  4.7193  437.427    67.379   462.385    105.812  420.405    87.386   60.007  7.4257  57.609  6.3574  2.398052       9.775337 
1 1 1 -20 -18 24 o 69.868  7.7239  628.013    128.753  628.013    128.753  0.0000     0.0000   69.868  7.7239  ?       ?       0.000000       7.723940 
1 1 1 -20 -18 25 o 112.361 6.8834  1599.04    186.761  1599.04    186.761  0.0000     0.0000   112.361 6.8834  ?       ?       0.000000       6.883409 
1 1 1 -20 -18 26 o 56.943  9.0867  430.049    121.328  430.049    121.328  0.0000     0.0000   56.943  9.0867  ?       ?       0.000000       9.086681 
1 1 1 -20 -18 27 o 55.269  9.3491  408.470    120.905  401.393    195.855  412.828    153.684  51.537  14.851  54.032  12.031  -2.495094      19.11272 
1 1 1 -20 -18 28 o 79.465  6.8079  804.879    129.999  817.086    230.486  799.184    157.429  75.580  13.039  78.202  8.4300  -2.621506      15.52700 
1 1 1 -20 -18 29 f 60.403  7.8330  475.785    112.098  587.592    205.681  428.541    133.700  63.036  13.828  55.966  10.222  7.070122       17.19612 
1 1 1 -20 -18 30 o 13.136  5.7780  -7.6389    35.637   37.181     52.007   -47.3110   48.930   19.907  7.6524  12.998  6.1034  6.909467       9.788288 
1 1 1 -20 -18 31 o 61.256  4.2849  466.420    63.286   544.140    93.007   399.408    86.363   65.502  5.9157  55.788  6.5020  9.714363       8.790475 
1 1 1 -20 -18 32 o 22.376  7.0387  64.121     42.620   4.3566     63.553   112.964    57.454   18.450  7.9167  28.998  7.9350  -10.54840      11.20887 
1 1 1 -20 -18 33 o 106.168 4.0232  1393.88    103.640  1451.78    151.489  1342.94    142.100  107.086 5.8524  103.091 5.7029  3.994217       8.171550 
1 1 1 -20 -18 34 o 109.123 4.0715  1474.59    107.804  1580.90    156.955  1379.66    148.326  111.687 5.8118  104.260 5.8873  7.426346       8.272682 
1 1 1 -20 -18 35 o 23.564  6.9924  73.138     42.866   96.582     62.737   52.610     58.706   26.903  8.5486  21.931  8.1974  4.972240       11.84387 
1 1 1 -20 -18 36 o 74.595  4.1007  692.514    73.937   826.126    107.254  571.522    102.064  80.697  5.5106  66.543  6.4002  14.15372       8.445641 
1 1 1 -20 -18 37 o 104.940 5.6946  1401.17    144.458  0.0000     0.0000   1401.17    144.458  ?       ?       104.940 5.6946  0.000000       5.694636 
1 1 1 -20 -18 38 o 60.233  6.3406  470.369    91.277   0.0000     0.0000   470.369    91.277   ?       ?       60.233  6.3406  0.000000       6.340615 
1 1 1 -20 -18 39 o 37.008  9.6851  196.508    87.978   0.0000     0.0000   196.508    87.978   ?       ?       37.008  9.6851  0.000000       9.685102 
1 1 1 -20 -18 40 o 21.081  7.4403  53.978     47.410   17.688     64.491   96.653     69.935   19.277  8.1104  26.823  9.0549  -7.545429      12.15604 
1 1 1 -20 -18 41 o 16.043  6.3469  20.947     36.625   5.9762     42.248   66.230     73.475   15.352  6.5172  24.022  9.1285  -8.669936      11.21621 
1 1 1 -20 -18 42 o 13.560  5.9472  -5.1611    37.512   -20.5358   44.596   32.034     69.365   13.659  6.1996  20.820  8.5548  -7.160831      10.56503 
1 1 1 -20 -18 43 o 51.737  4.6926  339.363    58.268   345.056    74.901   330.636    92.733   51.420  6.1238  49.117  8.0607  2.302158       10.12305 
1 1 1 -20 -18 44 o 80.808  4.0118  814.936    78.660   857.003    107.223  765.911    115.750  81.771  5.4351  76.604  6.2827  5.167099       8.307394 
1 1 1 -20 -18 45 o 29.832  9.0061  127.854    70.660   164.988    149.429  117.160    80.192   33.063  12.898  28.677  9.6960  4.385260       16.13627 
1 1 1 -20 -18 46 o 16.727  7.5189  -15.5209   63.762   -13.6772   133.888  -16.0617   72.513   23.471  10.687  17.783  8.0036  5.688028       13.35199 
1 1 1 -20 -18 47 o 42.849  8.1867  259.626    82.012   36.237     160.945  337.975    95.315   26.736  11.987  48.903  8.3314  -22.16695      14.59805 
1 1 1 -20 -18 48 o 23.343  6.7888  75.077     40.760   86.044     53.079   59.316     63.633   24.766  7.8625  22.210  8.4818  2.556683       11.56547 
1 1 1 -20 -18 49 o 20.220  6.8385  53.802     39.890   45.710     51.698   65.706     62.707   19.974  7.6411  22.654  8.4713  -2.679752      11.40828 
1 1 1 -20 -18 50 o 23.908  6.7029  79.897     40.452   53.888     53.542   114.488    61.746   20.859  7.8224  27.819  8.4235  -6.959457      11.49543 
1 1 1 -20 -18 51 o 15.990  6.4153  22.211     37.937   -19.2108   49.914   78.872     58.378   14.282  6.5117  23.627  8.2624  -9.345025      10.51999 
1 1 1 -20 -18 52 o 18.516  6.9547  41.016     42.355   34.760     51.791   53.650     73.600   18.635  7.4890  21.799  8.8677  -3.163578      11.60694 
1 1 1 -20 -18 53 o 11.324  5.3265  -32.4333   37.545   -71.8786   44.631   63.059     69.442   10.711  5.2296  22.220  8.7556  -11.50894      10.19847 
1 1 1 -20 -18 54 o 14.003  6.2048  -3.7627    41.827   5.4340     51.703   -21.1813   71.155   16.056  7.0135  16.721  7.6800  -0.6641884     10.40060 
1 1 1 -20 -18 55 o 28.683  11.197  142.021    112.661  0.0000     0.0000   142.021    112.661  ?       ?       28.683  11.197  0.000000       11.19679 
1 1 1 -20 -18 56 o 14.093  6.2708  -5.0705    43.159   -13.5421   47.100   39.289     107.779  14.087  6.3850  22.582  9.9852  -8.494662      11.85209 
1 1 1 -20 -18 57 o 19.836  7.1624  52.025     44.184   60.103     52.589   32.638     81.469   21.124  7.7853  20.658  8.9147  0.4655190      11.83567 
1 1 1 -20 -18 58 o 22.475  7.2734  72.511     45.258   63.028     54.852   92.734     80.100   21.517  7.9472  24.936  9.5179  -3.419407      12.39956 
1 1 1 -20 -18 59 o 22.567  11.219  -217.6417  239.244  -217.6417  239.244  0.0000     0.0000   22.567  11.219  ?       ?       0.000000       11.21885 
1 1 1 -20 -18 60 o 30.983  11.512  182.066    115.446  158.312    275.452  187.127    127.152  29.169  13.925  30.911  11.943  -1.742079      18.34444 
1 1 1 -20 -18 61 o 20.500  9.4651  0.8802     110.073  -129.3089  240.829  35.258     123.755  23.134  11.458  22.558  10.273  0.5757084      15.38879 
1 1 1 -20 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -17 3  o 88.503  5.3490  986.006    114.326  687.850    185.188  1169.62    145.326  69.612  11.355  95.768  6.2890  -26.15591      12.98058 
1 1 1 -20 -17 4  o 33.912  4.3630  144.720    35.068   124.076    65.597   152.981    41.496   30.267  8.5532  34.670  5.0837  -4.403057      9.949936 
1 1 1 -20 -17 5  o 63.006  4.5778  494.928    69.506   401.660    96.859   593.946    99.800   55.535  7.3700  68.380  6.0785  -12.84430      9.553282 
1 1 1 -20 -17 6  o 30.893  4.6531  120.800    33.797   135.659    54.878   111.720    42.897   32.009  7.2357  29.256  6.2337  2.753332       9.550655 
1 1 1 -20 -17 7  o 67.332  5.5773  570.221    90.299   539.805    151.279  587.056    112.548  62.983  10.252  67.678  6.9525  -4.695374      12.38682 
1 1 1 -20 -17 8  o 49.223  6.5242  310.180    76.001   227.467    132.796  350.469    92.681   40.067  12.395  51.924  7.5797  -11.85707      14.52917 
1 1 1 -20 -17 9  o 82.219  3.7668  830.461    75.147   691.729    119.844  920.347    96.466   73.748  6.7731  86.163  4.6311  -12.41487      8.204983 
1 1 1 -20 -17 10 o 58.944  3.9135  428.808    55.653   298.290    89.656   510.623    70.984   47.748  8.0230  64.148  4.5909  -16.39916      9.243689 
1 1 1 -20 -17 11 o 40.208  4.3413  201.368    41.682   169.421    66.149   222.406    53.680   35.849  7.8244  42.000  5.3920  -6.150646      9.502329 
1 1 1 -20 -17 12 o 47.973  4.4354  285.850    51.044   146.236    84.089   367.311    64.232   33.100  9.7868  54.294  4.9295  -21.19405      10.95815 
1 1 1 -20 -17 13 o 17.118  6.6852  23.504     40.175   46.492     62.518   7.3328     52.435   22.070  8.4123  17.339  7.3050  4.731363       11.14140 
1 1 1 -20 -17 14 o 57.827  4.3612  413.694    60.743   414.789    95.529   412.952    78.702   57.036  7.0530  57.377  5.7296  -0.3407249     9.087022 
1 1 1 -20 -17 15 o 133.992 4.2739  2207.33    138.953  1976.15    212.488  2380.05    183.667  125.207 7.0226  138.556 5.4631  -13.34849      8.897326 
1 1 1 -20 -17 16 o 21.473  7.5243  52.630     48.424   88.769     77.879   29.851     61.830   27.301  9.5434  20.514  8.2043  6.787058       12.58516 
1 1 1 -20 -17 17 o 25.798  7.7253  85.450     52.147   58.989     84.783   101.552    66.136   25.199  9.7474  28.126  8.7552  -2.926683      13.10208 
1 1 1 -20 -17 18 o 58.049  4.8383  418.327    67.528   459.119    108.585  392.602    86.231   59.864  7.6505  55.715  6.5009  4.149273       10.03946 
1 1 1 -20 -17 19 o 53.123  7.0622  359.935    88.774   423.629    144.417  321.251    112.549  55.950  11.030  49.085  9.7932  6.865162       14.75015 
1 1 1 -20 -17 20 o 35.536  8.9013  167.858    76.588   -47.8985   121.166  311.420    98.837   22.707  10.271  48.753  8.6730  -26.04607      13.44297 
1 1 1 -20 -17 21 o 25.400  9.0086  74.404     69.584   -144.3139  110.642  217.518    89.499   18.130  8.7003  40.361  9.3262  -22.23098      12.75431 
1 1 1 -20 -17 22 o 137.088 4.3963  2312.32    146.234  2060.83    221.545  2506.48    194.664  127.763 7.1756  142.083 5.6465  -14.32066      9.130795 
1 1 1 -20 -17 23 o 48.520  12.029  327.628    140.908  327.628    140.908  0.0000     0.0000   48.520  12.029  ?       ?       0.000000       12.02873 
1 1 1 -20 -17 24 f 17.651  7.3552  11.320     52.274   11.320     52.274   0.0000     0.0000   17.651  7.3552  ?       ?       0.000000       7.355242 
1 1 1 -20 -17 25 o 53.936  6.3939  368.888    82.048   368.888    82.048   0.0000     0.0000   53.936  6.3939  ?       ?       0.000000       6.393924 
1 1 1 -20 -17 26 o 43.332  5.9531  238.361    60.938   222.975    72.684   274.765    111.801  41.361  7.5194  44.825  10.469  -3.463673      12.88942 
1 1 1 -20 -17 27 o 65.434  7.0910  547.112    110.782  496.697    200.478  569.274    132.919  58.116  14.312  66.064  8.4883  -7.948315      16.63962 
1 1 1 -20 -17 28 o 89.922  6.3486  1020.64    137.629  1335.43    239.656  865.742    168.115  100.195 9.9910  81.448  8.6386  18.74619       13.20778 
1 1 1 -20 -17 29 o 49.874  8.5348  329.325    99.570   395.648    186.297  302.803    117.807  51.377  14.378  46.782  10.621  4.594833       17.87516 
1 1 1 -20 -17 30 o 73.093  4.2823  661.909    75.617   716.386    118.693  624.693    98.103   75.017  6.5875  70.397  5.7948  4.620842       8.773551 
1 1 1 -20 -17 31 o 30.388  6.6171  121.175    47.408   198.090    73.340   65.969     62.134   38.504  8.1063  23.770  8.5039  14.73399       11.74855 
1 1 1 -20 -17 32 o 74.156  4.0831  681.102    73.185   742.005    106.682  626.960    100.586  76.640  5.7793  70.332  5.9499  6.307884       8.294664 
1 1 1 -20 -17 33 o 43.602  5.2188  240.816    54.115   272.812    78.323   211.591    74.856   45.580  7.3303  39.729  8.0412  5.851009       10.88090 
1 1 1 -20 -17 34 o 122.639 4.1800  1862.85    124.386  1865.65    181.029  1860.35    171.201  121.135 6.1796  121.403 5.8118  -0.2678223     8.483216 
1 1 1 -20 -17 35 o 65.537  4.2314  534.854    66.927   544.070    96.737   526.393    92.692   65.164  6.1926  64.180  6.0227  0.9840164      8.638320 
1 1 1 -20 -17 36 o 37.766  7.7248  192.106    68.399   0.0000     0.0000   192.106    68.399   ?       ?       37.766  7.7248  0.000000       7.724753 
1 1 1 -20 -17 37 o 69.494  6.1675  620.575    102.916  0.0000     0.0000   620.575    102.916  ?       ?       69.494  6.1675  0.000000       6.167465 
1 1 1 -20 -17 38 o 81.154  5.8335  841.544    114.102  0.0000     0.0000   841.544    114.102  ?       ?       81.154  5.8335  0.000000       5.833477 
1 1 1 -20 -17 39 o 53.071  5.6993  361.564    72.241   421.099    93.993   275.639    112.919  56.567  6.9973  43.325  10.784  13.24242       12.85517 
1 1 1 -20 -17 40 f 48.648  5.1930  301.819    60.352   305.049    74.695   295.747    102.425  48.243  6.5506  45.694  9.5459  2.548321       11.57726 
1 1 1 -20 -17 41 o 17.348  6.4666  31.652     36.483   89.476     41.954   -147.7185  73.891   25.803  6.6569  13.051  6.4426  12.75179       9.263976 
1 1 1 -20 -17 42 o 9.1098  4.3960  -43.7540   29.212   -8.8403    34.208   -137.7671  56.134   12.630  5.6030  10.731  5.3505  1.899145       7.747344 
1 1 1 -20 -17 43 o 30.627  5.7790  123.443    41.372   119.726    52.908   129.292    66.374   29.552  7.3961  30.312  8.6170  -0.7601318     11.35582 
1 1 1 -20 -17 44 o 21.639  6.6913  61.869     38.703   53.288     48.389   77.107     64.482   20.964  7.5041  24.445  8.6718  -3.480469      11.46784 
1 1 1 -20 -17 45 o 32.582  9.2273  153.947    76.258   389.521    150.974  73.258     88.358   49.099  12.607  25.213  9.8951  23.88634       16.02681 
1 1 1 -20 -17 46 o 21.846  8.6920  48.063     69.052   118.756    142.222  26.259     78.986   30.121  12.298  21.067  8.9255  9.053795       15.19592 
1 1 1 -20 -17 47 o 24.407  8.8421  78.564     67.419   -94.2258   136.379  134.447    77.558   20.868  9.9155  30.166  9.4960  -9.297653      13.72921 
1 1 1 -20 -17 48 o 25.871  6.5925  92.195     41.502   82.844     51.673   109.192    69.664   24.396  7.7590  27.445  9.0320  -3.048857      11.90710 
1 1 1 -20 -17 49 o 14.791  6.1212  12.732     35.850   -5.9664    43.900   50.171     62.117   14.380  6.3648  21.189  8.3023  -6.809423      10.46128 
1 1 1 -20 -17 50 o 11.712  5.3423  -16.6945   33.644   -14.3509   40.991   -21.5327   58.895   13.238  5.9821  15.494  7.0677  -2.255899      9.259498 
1 1 1 -20 -17 51 o 34.661  5.5702  160.762    45.260   113.700    57.834   235.131    72.701   27.767  8.0899  40.530  7.6736  -12.76307      11.15032 
1 1 1 -20 -17 52 o 35.240  6.4004  171.661    52.713   125.010    63.687   273.130    93.927   28.714  8.5237  41.889  9.4642  -13.17529      12.73673 
1 1 1 -20 -17 53 o 31.172  6.9229  138.550    50.999   121.543    61.380   176.468    91.648   28.285  8.3610  32.444  10.335  -4.158548      13.29332 
1 1 1 -20 -17 54 o 25.265  7.3906  93.456     48.181   108.790    56.820   54.212     90.899   26.877  8.0676  22.620  9.5787  4.256592       12.52348 
1 1 1 -20 -17 55 o 26.632  7.7223  105.603    52.811   93.425     58.376   160.487    123.929  24.965  8.2705  29.889  11.722  -4.924000      14.34630 
1 1 1 -20 -17 56 o 20.715  7.2876  58.651     45.448   32.186     55.282   113.834    79.828   18.595  7.6385  26.830  9.6347  -8.235353      12.29525 
1 1 1 -20 -17 57 o 25.043  7.3601  91.646     47.685   24.530     58.312   227.130    82.850   18.261  7.6990  38.147  9.0816  -19.88605      11.90592 
1 1 1 -20 -17 58 o 22.102  7.2317  69.465     44.684   80.240     53.697   45.203     80.578   23.471  7.9343  21.443  9.0461  2.027811       12.03262 
1 1 1 -20 -17 59 f 27.204  13.121  32.349     259.406  32.349     259.406  0.0000     0.0000   27.204  13.121  ?       ?       0.000000       13.12064 
1 1 1 -20 -17 60 o 24.912  10.508  87.444     108.715  -18.2850   266.693  108.514    119.056  26.039  12.729  26.300  11.040  -0.2601471     16.84938 
1 1 1 -20 -17 61 o 15.019  7.3969  -137.4520  95.498   -291.3501  249.183  -110.9563  103.393  21.439  10.773  16.411  8.0011  5.027819       13.41893 
1 1 1 -20 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -16 2  o 83.832  6.5976  899.901    133.118  0.0000     0.0000   899.901    133.118  ?       ?       83.832  6.5976  0.000000       6.597603 
1 1 1 -20 -16 3  o 63.737  5.1230  509.883    78.559   349.391    128.608  605.409    99.221   49.765  10.948  69.082  5.9783  -19.31769      12.47410 
1 1 1 -20 -16 4  o 84.879  3.7260  886.560    76.737   816.224    127.080  926.925    96.271   80.008  6.6051  86.352  4.6114  -6.343994      8.055518 
1 1 1 -20 -16 5  f 56.538  4.5841  398.166    62.344   358.632    87.048   439.803    89.333   52.744  6.9726  58.756  6.3679  -6.012188      9.442896 
1 1 1 -20 -16 6  o 44.091  3.8930  240.925    41.221   272.586    68.993   223.349    51.404   46.177  6.3238  42.108  5.1377  4.068481       8.147773 
1 1 1 -20 -16 7  o 98.777  5.5858  1219.62    133.327  1174.75    218.956  1246.06    168.082  94.203  9.7188  98.997  7.0433  -4.793381      12.00262 
1 1 1 -20 -16 8  o 69.245  5.6985  601.135    94.895   434.339    157.205  696.754    119.027  55.767  11.975  74.146  6.6880  -18.37870      13.71638 
1 1 1 -20 -16 9  o 14.834  5.7470  18.040     29.508   -14.7219   46.301   40.447     38.291   14.617  6.4999  18.984  6.6881  -4.366695      9.326247 
1 1 1 -20 -16 10 o 97.624  3.8178  1169.09    90.433   1048.14    141.937  1251.73    117.331  91.305  6.4482  100.693 4.8023  -9.387871      8.039939 
1 1 1 -20 -16 11 f 67.203  3.8332  555.572    62.246   509.625    99.129   585.482    79.980   63.524  6.5239  68.722  4.8271  -5.197899      8.115552 
1 1 1 -20 -16 12 o 94.709  3.9183  1100.07    90.044   1050.28    142.278  1133.34    116.298  91.495  6.4501  95.673  5.0274  -4.177696      8.177939 
1 1 1 -20 -16 13 o 16.636  6.7440  15.745     42.396   -81.7268   66.954   80.985     54.776   14.506  6.9081  25.341  7.9809  -10.83531      10.55544 
1 1 1 -20 -16 14 o 37.901  5.8513  182.141    52.078   218.218    86.344   161.512    65.291   40.598  9.0014  35.120  7.8582  5.477776       11.94890 
1 1 1 -20 -16 15 o 51.098  4.8712  324.501    59.665   390.110    98.234   286.150    75.105   55.233  7.5258  47.439  6.7121  7.793629       10.08416 
1 1 1 -20 -16 16 o 27.679  7.9115  99.276     55.795   -62.5342   135.635  132.234    61.214   23.659  10.766  31.761  7.9591  -8.102463      13.38896 
1 1 1 -20 -16 17 o 66.087  4.2927  538.354    68.462   462.071    111.096  585.060    86.930   60.102  7.8021  68.642  5.2593  -8.539730      9.409209 
1 1 1 -20 -16 18 o 11.908  5.5610  -37.0675   39.696   11.463     63.872   -67.6097   50.670   19.317  8.0963  12.419  5.9406  6.897619       10.04193 
1 1 1 -20 -16 19 o 62.108  6.5038  485.545    96.558   479.454    148.415  490.015    127.146  60.023  10.577  61.522  8.7653  -1.498299      13.73690 
1 1 1 -20 -16 20 o 26.330  9.1240  82.034     71.111   31.968     117.118  111.269    89.496   26.297  10.988  30.063  10.243  -3.765490      15.02171 
1 1 1 -20 -16 21 o 39.736  6.3271  201.068    58.958   223.520    73.143   159.420    99.618   41.576  7.5276  34.759  10.733  6.817528       13.10957 
1 1 1 -20 -16 22 o 30.870  7.9090  124.945    59.507   124.945    59.507   0.0000     0.0000   30.870  7.9090  ?       ?       0.000000       7.908968 
1 1 1 -20 -16 23 o 24.202  8.0853  71.106     55.754   71.106     55.754   0.0000     0.0000   24.202  8.0853  ?       ?       0.000000       8.085265 
1 1 1 -20 -16 24 o 91.437  5.7505  1041.94    126.932  1041.94    126.932  0.0000     0.0000   91.437  5.7505  ?       ?       0.000000       5.750459 
1 1 1 -20 -16 25 o 70.879  4.7721  622.360    81.594   604.675    99.720   658.185    141.928  69.455  5.9754  71.439  8.3451  -1.984138      10.26378 
1 1 1 -20 -16 26 o 104.316 4.6666  1342.16    118.118  1260.48    145.159  1502.23    203.208  100.400 5.9858  108.562 7.7656  -8.162651      9.804819 
1 1 1 -20 -16 27 o 16.560  7.7242  -64.2521   76.207   -108.7505  160.835  -51.3699   86.537   24.195  11.264  18.523  8.4937  5.671776       14.10736 
1 1 1 -20 -16 28 o 76.208  6.7757  736.606    123.983  611.074    220.213  794.864    150.018  64.677  14.402  78.541  7.9829  -13.86419      16.46652 
1 1 1 -20 -16 29 f 110.492 6.4085  1539.07    171.074  1643.13    293.849  1485.72    210.408  110.144 11.149  107.330 8.1400  2.813545       13.80409 
1 1 1 -20 -16 30 o 48.351  4.7226  292.038    54.698   265.151    79.929   315.719    75.014   45.049  7.5816  49.734  6.3619  -4.685516      9.897242 
1 1 1 -20 -16 31 o 56.774  4.4362  400.827    60.626   371.910    88.394   426.512    83.309   53.738  6.9414  58.003  6.0064  -4.264847      9.179336 
1 1 1 -20 -16 32 o 90.390  4.0007  1007.59    87.745   1057.72    127.784  962.866    120.701  91.646  5.7760  87.456  5.7194  4.189873       8.128576 
1 1 1 -20 -16 33 o 82.592  4.0585  842.409    81.333   891.919    117.772  797.267    112.457  84.033  5.8117  79.392  5.8796  4.640839       8.267121 
1 1 1 -20 -16 34 o 132.522 4.2499  2174.88    136.658  2210.18    199.283  2143.55    187.759  132.069 6.2188  130.308 5.9383  1.761261       8.598670 
1 1 1 -20 -16 35 o 42.299  7.0227  234.973    69.551   0.0000     0.0000   234.973    69.551   ?       ?       42.299  7.0227  0.000000       7.022748 
1 1 1 -20 -16 36 o 19.685  7.6538  35.802     52.482   0.0000     0.0000   35.802     52.482   ?       ?       19.685  7.6538  0.000000       7.653756 
1 1 1 -20 -16 37 o 47.535  6.3323  292.945    71.218   0.0000     0.0000   292.945    71.218   ?       ?       47.535  6.3323  0.000000       6.332265 
1 1 1 -20 -16 38 o 87.730  4.0372  954.932    85.938   1071.06    128.351  860.567    115.701  91.679  5.7998  82.113  5.8453  9.565872       8.234353 
1 1 1 -20 -16 39 o 45.682  5.4322  267.137    59.032   247.230    73.318   303.828    99.538   43.065  7.2757  46.752  9.1020  -3.686527      11.65253 
1 1 1 -20 -16 40 o 56.060  5.1262  399.034    68.957   413.147    84.732   371.354    118.665  56.431  6.2956  51.140  9.9210  5.290779       11.74993 
1 1 1 -20 -16 41 o 51.897  5.2271  343.306    64.925   348.650    79.150   332.316    113.513  51.671  6.4538  48.150  10.041  3.521336       11.93636 
1 1 1 -20 -16 42 o 84.330  3.9626  884.034    81.082   835.443    111.527  938.509    118.087  80.757  5.7288  85.623  5.7168  -4.865242      8.093273 
1 1 1 -20 -16 43 o 50.780  4.5148  325.487    55.049   293.675    72.341   369.249    84.847   47.266  6.4782  52.903  6.7648  -5.636845      9.366428 
1 1 1 -20 -16 44 o 49.582  4.6312  311.495    55.071   345.472    72.917   266.380    84.024   51.562  5.9366  43.920  8.1858  7.642376       10.11190 
1 1 1 -20 -16 45 o 60.909  6.9468  493.497    100.831  507.886    189.135  487.784    119.180  54.642  14.152  59.295  8.5291  -4.653168      16.52381 
1 1 1 -20 -16 46 o 59.954  6.9083  480.033    98.658   390.346    190.088  513.099    115.421  46.059  14.906  61.118  7.9731  -15.05841      16.90463 
1 1 1 -20 -16 47 o 59.150  4.5936  444.980    65.412   533.020    81.037   280.362    110.811  64.335  5.2367  42.608  10.726  21.72748       11.93594 
1 1 1 -20 -16 48 o 20.396  6.8029  54.438     39.473   56.812     48.565   49.817     67.758   21.140  7.5229  21.704  8.6181  -0.5643425     11.43966 
1 1 1 -20 -16 49 o 49.459  4.5625  313.369    54.137   344.905    71.694   271.532    82.576   51.037  5.8980  43.671  8.0909  7.366634       10.01246 
1 1 1 -20 -16 50 o 76.116  4.1043  734.121    75.522   757.402    103.345  707.441    110.634  75.898  5.6522  72.627  6.3417  3.271751       8.494982 
1 1 1 -20 -16 51 o 59.669  4.4819  456.980    64.415   389.655    83.755   554.463    100.782  53.417  6.6025  63.801  6.6059  -10.38427      9.339747 
1 1 1 -20 -16 52 o 11.681  5.3099  -14.4774   32.877   1.0488     35.989   -92.7849   80.824   13.557  5.8874  15.099  7.2926  -1.542347      9.372506 
1 1 1 -20 -16 53 o 29.948  6.9652  128.141    49.657   110.936    58.960   170.123    92.101   27.164  8.2327  31.897  10.380  -4.732798      13.24825 
1 1 1 -20 -16 54 o 38.424  13.682  313.461    160.667  0.0000     0.0000   313.461    160.667  ?       ?       38.424  13.682  0.000000       13.68228 
1 1 1 -20 -16 55 o 14.290  6.2947  -1.5360    42.435   -15.6692   45.079   108.448    125.752  13.674  6.2165  26.939  11.329  -13.26537      12.92264 
1 1 1 -20 -16 56 o 19.281  7.1370  46.986     44.286   22.204     51.089   121.893    88.823   17.361  7.2561  27.543  10.123  -10.18124      12.45488 
1 1 1 -20 -16 57 o 13.365  5.9303  -5.1938    38.340   -2.7364    42.545   -15.8144   88.446   14.227  6.2831  18.758  8.5962  -4.531354      10.64762 
1 1 1 -20 -16 58 o 19.874  8.6720  21.722     78.866   25.598     230.452  21.208     83.934   26.816  12.783  20.239  8.8858  6.576881       15.56820 
1 1 1 -20 -16 59 f 24.347  10.559  67.368     115.449  -41.3828   262.898  93.350     128.503  26.090  12.728  26.048  11.218  0.4232979E-01  16.96660 
1 1 1 -20 -16 60 o 26.679  11.089  114.610    118.387  208.828    269.038  91.985     131.837  30.421  14.293  25.739  11.222  4.682676       18.17255 
1 1 1 -20 -16 61 f 24.950  10.527  94.204     109.152  67.050     269.935  99.512     119.344  26.864  13.059  25.416  10.876  1.448242       16.99476 
1 1 1 -20 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -15 2  o 24.771  5.2973  79.362     30.875   0.0000     0.0000   79.362     30.875   ?       ?       24.771  5.2973  0.000000       5.297330 
1 1 1 -20 -15 3  o 51.213  5.1153  329.372    62.715   324.336    104.679  332.192    78.329   49.111  9.1203  50.924  6.4864  -1.813225      11.19168 
1 1 1 -20 -15 4  o 62.882  3.6780  487.346    55.873   432.051    92.316   519.311    70.189   58.157  6.6622  64.671  4.5010  -6.514343      8.040118 
1 1 1 -20 -15 5  o 67.087  3.6902  554.151    59.838   502.164    98.861   584.209    75.172   62.851  6.5801  68.634  4.5396  -5.782478      7.994070 
1 1 1 -20 -15 6  o 91.975  3.7009  1037.96    82.593   990.302    132.103  1068.54    105.828  88.762  6.1721  92.884  4.7110  -4.122803      7.764580 
1 1 1 -20 -15 7  o 106.403 5.7116  1412.52    146.921  1318.06    241.779  1467.82    184.994  99.901  10.114  107.659 7.1221  -7.757378      12.36973 
1 1 1 -20 -15 8  o 36.028  7.1303  168.610    60.125   90.583     102.546  209.485    74.221   28.886  10.827  40.001  7.9272  -11.11545      13.41872 
1 1 1 -20 -15 9  o 58.195  3.8427  416.950    53.954   314.668    85.169   485.513    69.731   49.523  7.3073  62.621  4.6219  -13.09797      8.646305 
1 1 1 -20 -15 10 o 128.923 4.1218  2039.94    128.938  1688.45    197.444  2301.29    170.254  115.819 7.0596  136.498 5.1405  -20.67854      8.732841 
1 1 1 -20 -15 11 o 64.368  4.1212  510.295    64.028   326.848    98.100   646.438    84.510   50.184  8.3498  72.282  4.8466  -22.09852      9.654416 
1 1 1 -20 -15 12 o 74.649  4.1458  685.508    74.797   569.129    120.204  759.041    95.548   66.913  7.5347  78.306  5.0558  -11.39253      9.073761 
1 1 1 -20 -15 13 o 87.781  4.1260  944.737    87.880   953.821    142.245  939.129    111.759  87.190  6.7769  87.066  5.3156  0.1237259      8.612929 
1 1 1 -20 -15 14 o 61.103  4.5809  461.204    67.423   353.652    113.543  519.783    83.795   51.949  9.3517  64.674  5.3889  -12.72501      10.79324 
1 1 1 -20 -15 15 o 17.601  6.8180  25.537     41.527   -21.5640   68.370   53.069     52.274   17.738  7.8927  21.926  7.8047  -4.187891      11.09987 
1 1 1 -20 -15 16 o 77.293  4.1317  734.140    77.208   603.999    121.492  822.303    99.996   69.108  7.3584  81.558  5.0783  -12.44957      8.940662 
1 1 1 -20 -15 17 o 71.505  4.2369  628.982    73.182   548.076    116.306  682.008    94.158   65.782  7.4161  74.197  5.2643  -8.414864      9.094606 
1 1 1 -20 -15 18 o 72.012  4.7763  640.268    82.983   563.503    170.640  664.045    94.969   65.058  11.215  73.173  5.3869  -8.114960      12.44146 
1 1 1 -20 -15 19 o 80.204  4.9725  794.732    96.292   775.853    126.043  821.194    149.228  78.682  6.6647  80.529  7.7323  -1.847305      10.20811 
1 1 1 -20 -15 20 o 14.771  6.5361  -13.4317   46.264   -32.2391   56.532   24.703     80.499   15.285  6.9538  22.318  9.1985  -7.033432      11.53119 
1 1 1 -20 -15 21 o 48.750  7.5713  304.605    86.653   304.605    86.653   0.0000     0.0000   48.750  7.5713  ?       ?       0.000000       7.571295 
1 1 1 -20 -15 22 o 76.139  5.5320  720.257    101.502  720.257    101.502  0.0000     0.0000   76.139  5.5320  ?       ?       0.000000       5.531973 
1 1 1 -20 -15 23 o 69.218  5.5764  596.413    92.861   596.413    92.861   0.0000     0.0000   69.218  5.5764  ?       ?       0.000000       5.576355 
1 1 1 -20 -15 24 o 74.341  5.0364  684.686    90.311   699.296    105.722  645.243    173.714  74.860  5.8673  69.776  10.593  5.084290       12.10966 
1 1 1 -20 -15 25 o 147.678 5.1516  2694.03    184.596  2626.85    225.621  2830.05    321.052  145.118 6.4076  148.479 8.9533  -3.361053      11.00992 
1 1 1 -20 -15 26 o 51.311  5.2716  328.971    64.699   262.001    85.634   418.046    98.760   44.801  8.1790  57.220  7.2779  -12.41916      10.94826 
1 1 1 -20 -15 27 o 36.505  8.9420  177.694    78.577   407.500    195.978  133.673    85.774   52.827  14.733  31.924  9.9761  20.90274       17.79315 
1 1 1 -20 -15 28 o 114.377 6.2470  1640.35    172.713  2246.51    315.911  1381.93    206.268  130.687 10.039  103.693 8.2669  26.99414       13.00495 
1 1 1 -20 -15 29 o 90.962  6.3079  1041.45    138.362  1424.02    265.851  899.321    162.037  103.069 10.790  83.524  8.0971  19.54446       13.49050 
1 1 1 -20 -15 30 o 66.015  4.1081  538.520    65.476   623.273    100.843  476.749    86.091   70.356  5.9633  61.522  5.8371  8.834896       8.344600 
1 1 1 -20 -15 31 o 60.523  4.3208  454.290    63.034   639.443    97.138   319.614    82.846   71.339  5.6582  49.762  7.0592  21.57729       9.046940 
1 1 1 -20 -15 32 o 62.317  4.1441  481.125    62.304   491.563    94.337   473.050    82.974   62.145  6.3452  61.251  5.6466  0.8945770      8.493854 
1 1 1 -20 -15 33 o 22.737  6.9229  66.588     41.622   93.682     64.762   47.521     54.327   26.873  8.7010  21.210  7.8941  5.663292       11.74838 
1 1 1 -20 -15 34 o 35.239  7.3480  164.765    60.794   0.0000     0.0000   164.765    60.794   ?       ?       35.239  7.3480  0.000000       7.348001 
1 1 1 -20 -15 35 o 77.992  5.3794  766.221    101.177  0.0000     0.0000   766.221    101.177  ?       ?       77.992  5.3794  0.000000       5.379403 
1 1 1 -20 -15 36 o 51.748  6.0249  343.340    74.233   0.0000     0.0000   343.340    74.233   ?       ?       51.748  6.0249  0.000000       6.024920 
1 1 1 -20 -15 37 o 26.258  6.8099  91.900     43.753   25.405     70.299   133.945    55.900   20.674  8.5651  31.540  7.4271  -10.86558      11.33684 
1 1 1 -20 -15 38 o 52.579  4.0969  344.965    51.855   333.405    71.938   357.468    74.813   50.926  5.9330  52.743  5.9499  -1.817192      8.402502 
1 1 1 -20 -15 39 o 82.452  4.9972  856.625    99.503   806.755    125.484  941.097    163.313  78.919  6.6140  83.973  8.1165  -5.053795      10.47005 
1 1 1 -20 -15 40 o 52.040  5.2768  344.899    65.709   322.562    79.877   391.654    115.564  49.543  6.8259  53.053  9.3173  -3.509987      11.55007 
1 1 1 -20 -15 41 o 22.395  6.4640  66.330     37.078   110.021    49.740   11.688     55.626   28.502  7.1923  17.778  7.5088  10.72352       10.39766 
1 1 1 -20 -15 42 o 38.738  5.3450  193.100    48.902   226.307    64.581   148.467    74.870   41.388  6.6565  32.400  9.1315  8.987587       11.30013 
1 1 1 -20 -15 43 o 20.899  6.8270  56.028     39.828   40.497     50.443   81.740     64.904   19.782  7.5525  25.070  8.7151  -5.288414      11.53226 
1 1 1 -20 -15 44 o 18.599  6.6483  40.406     37.969   0.2649     47.652   110.200    62.834   15.676  6.7913  28.138  8.4923  -12.46167      10.87388 
1 1 1 -20 -15 45 o 31.614  8.8139  142.549    70.150   292.181    138.517  90.934     81.354   42.534  12.557  26.415  9.6910  16.11890       15.86141 
1 1 1 -20 -15 46 o 61.592  6.7171  503.345    98.758   476.172    184.050  514.333    117.033  52.489  14.136  61.143  8.0870  -8.654633      16.28551 
1 1 1 -20 -15 47 o 78.176  4.0619  767.815    76.782   796.222    104.918  735.055    112.670  78.467  5.5463  74.746  6.2703  3.721924       8.371249 
1 1 1 -20 -15 48 o 57.025  4.5479  414.273    62.404   425.447    82.854   399.624    94.867   56.734  6.1154  53.946  7.4460  2.787739       9.635421 
1 1 1 -20 -15 49 o 45.957  5.1199  274.336    56.121   247.181    71.185   318.935    91.227   42.302  7.1927  47.313  8.2463  -5.011326      10.94240 
1 1 1 -20 -15 50 o 15.796  6.5571  15.225     41.318   14.674     47.542   16.927     83.523   16.557  6.9647  20.452  8.9243  -3.894327      11.32031 
1 1 1 -20 -15 51 o 41.211  7.5469  240.996    72.684   209.613    86.844   314.392    132.809  36.666  9.6355  42.143  12.254  -5.477036      15.58837 
1 1 1 -20 -15 52 o 9.5002  4.6133  -51.9245   33.442   -54.5145   36.644   -39.0148   81.810   10.023  4.8584  17.243  8.0294  -7.219614      9.384783 
1 1 1 -20 -15 53 o 28.311  10.131  128.414    88.195   223.200    239.675  113.569    94.850   32.453  14.584  27.080  10.352  5.372620       17.88440 
1 1 1 -20 -15 54 o 32.625  13.044  211.185    156.238  0.0000     0.0000   211.185    156.238  ?       ?       32.625  13.044  0.000000       13.04381 
1 1 1 -20 -15 55 o 18.356  7.1806  37.146     46.408   22.987     49.543   138.524    132.567  17.287  7.1784  28.765  11.824  -11.47827      13.83231 
1 1 1 -20 -15 56 o 34.160  6.1242  160.639    48.896   190.690    57.652   83.631     92.290   36.884  6.6882  24.713  9.9739  12.17114       12.00877 
1 1 1 -20 -15 57 o 29.240  7.2136  123.645    50.863   118.081    59.744   138.299    96.955   27.973  8.2432  28.935  10.585  -0.9623318     13.41610 
1 1 1 -20 -15 58 o 27.378  11.182  116.830    117.636  281.240    261.732  75.211     131.686  33.567  15.147  25.527  11.170  8.040121       18.82068 
1 1 1 -20 -15 59 o 18.425  8.7753  -66.9952   108.071  32.806     250.763  -89.7598   119.764  27.208  13.068  18.684  8.9881  8.523659       15.86016 
1 1 1 -20 -15 60 o 25.597  10.852  95.339     116.896  139.536    269.072  85.057     129.784  28.994  13.819  25.389  11.100  3.605112       17.72522 
1 1 1 -20 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -14 2  o 99.987  6.8744  1272.39    165.766  0.0000     0.0000   1272.39    165.766  ?       ?       99.987  6.8744  0.000000       6.874378 
1 1 1 -20 -14 3  o 136.918 4.6363  2317.91    154.026  1992.09    292.430  2443.00    181.197  122.583 9.9166  140.141 5.3287  -17.55813      11.25761 
1 1 1 -20 -14 4  o 112.524 3.9077  1555.79    106.690  1290.84    167.828  1735.48    138.213  100.951 6.8928  118.460 4.8085  -17.50944      8.404336 
1 1 1 -20 -14 5  o 71.243  3.6428  623.796    62.761   633.958    103.321  617.854    79.007   71.032  6.0525  70.622  4.6364  0.4096451      7.624210 
1 1 1 -20 -14 6  o 71.990  3.6797  636.707    64.061   573.275    105.536  673.716    80.612   67.389  6.5365  73.826  4.5219  -6.437317      7.948165 
1 1 1 -20 -14 7  o 71.711  5.6539  641.673    97.581   455.610    167.979  736.442    119.883  57.339  12.432  76.516  6.5193  -19.17673      14.03762 
1 1 1 -20 -14 8  o 53.336  6.0168  357.637    76.505   328.765    136.883  370.754    92.261   48.978  11.682  53.912  7.2355  -4.933834      13.74117 
1 1 1 -20 -14 9  o 27.563  5.4205  97.019     34.960   58.483     55.086   123.007    45.237   22.740  8.0207  30.933  6.2423  -8.193459      10.16354 
1 1 1 -20 -14 10 o 51.095  4.0447  321.867    49.735   259.579    77.812   364.890    64.669   44.975  7.3869  54.212  4.9716  -9.237461      8.904106 
1 1 1 -20 -14 11 o 74.518  4.0847  682.361    73.574   751.716    117.927  638.159    94.145   77.558  6.3214  71.698  5.4524  5.860405       8.348035 
1 1 1 -20 -14 12 o 52.916  4.7707  346.851    60.595   273.429    101.552  387.445    75.511   45.547  9.4965  55.727  5.6632  -10.17913      11.05691 
1 1 1 -20 -14 13 o 42.093  5.3814  221.824    53.704   183.504    89.702   243.232    67.048   37.221  9.7983  43.815  6.5041  -6.594528      11.76049 
1 1 1 -20 -14 14 o 54.355  4.7007  365.425    61.386   237.602    99.709   443.445    77.899   42.337  9.8855  59.737  5.4337  -17.40017      11.28048 
1 1 1 -20 -14 15 o 55.532  4.6953  381.225    62.673   340.773    103.629  404.554    78.697   51.352  8.6226  56.954  5.7746  -5.601917      10.37759 
1 1 1 -20 -14 16 o 40.199  4.7858  201.173    45.763   171.838    62.311   235.525    67.430   36.511  7.2888  43.078  6.6665  -6.566357      9.877667 
1 1 1 -20 -14 17 o ?       ?       -125.9045  26.002   -52.5681   32.248   -262.1984  43.962   9.4537  4.5761  ?       ?       0.000000       4.576108 
1 1 1 -20 -14 18 o 48.449  5.1894  292.065    60.055   272.229    70.966   342.106    112.718  46.430  6.4756  51.181  9.4237  -4.751339      11.43415 
1 1 1 -20 -14 19 o 55.044  5.5197  377.233    72.728   350.658    92.217   420.961    118.290  52.500  7.4480  57.124  8.8182  -4.624004      11.54266 
1 1 1 -20 -14 20 o 56.565  7.1349  404.826    95.748   404.826    95.748   0.0000     0.0000   56.565  7.1349  ?       ?       0.000000       7.134882 
1 1 1 -20 -14 21 o 56.018  7.2376  397.811    96.075   397.811    96.075   0.0000     0.0000   56.018  7.2376  ?       ?       0.000000       7.237627 
1 1 1 -20 -14 22 o 42.368  7.0385  229.442    69.819   229.442    69.819   0.0000     0.0000   42.368  7.0385  ?       ?       0.000000       7.038521 
1 1 1 -20 -14 23 o 69.135  4.1127  587.729    68.679   575.072    92.901   602.983    101.985  67.972  5.6851  69.479  6.1117  -1.506775      8.347020 
1 1 1 -20 -14 24 o 51.436  5.1722  329.391    63.676   290.924    86.094   375.845    94.609   47.556  7.7264  54.310  7.3698  -6.753838      10.67760 
1 1 1 -20 -14 25 o 27.987  6.3901  101.241    42.440   210.754    67.319   29.008     54.673   40.485  7.1125  19.635  7.7589  20.84949       10.52558 
1 1 1 -20 -14 26 o 48.416  8.3577  304.987    94.634   0.0000     0.0000   304.987    94.634   ?       ?       48.416  8.3577  0.000000       8.357660 
1 1 1 -20 -14 27 f 76.750  7.3093  747.605    134.475  0.0000     0.0000   747.605    134.475  ?       ?       76.750  7.3093  0.000000       7.309330 
1 1 1 -20 -14 28 o 69.470  7.4521  615.831    123.652  0.0000     0.0000   615.831    123.652  ?       ?       69.470  7.4521  0.000000       7.452129 
1 1 1 -20 -14 29 o 68.163  4.2600  573.911    70.104   613.270    114.516  550.320    88.659   69.506  6.8805  66.327  5.5602  3.178619       8.846315 
1 1 1 -20 -14 30 o 122.827 4.0825  1855.97    121.671  1952.09    179.129  1773.63    165.781  125.027 5.9047  119.276 5.7282  5.751877       8.226659 
1 1 1 -20 -14 31 o 146.820 4.7912  2668.88    170.686  2971.31    281.822  2493.67    214.502  152.596 7.6115  140.911 6.2737  11.68530       9.863753 
1 1 1 -20 -14 32 f 119.939 4.1677  1774.09    121.288  2183.35    180.724  1438.70    163.604  132.169 5.6354  106.704 6.3477  25.46575       8.488259 
1 1 1 -20 -14 33 o 42.916  6.5236  237.583    65.792   0.0000     0.0000   237.583    65.792   ?       ?       42.916  6.5236  0.000000       6.523634 
1 1 1 -20 -14 34 o 47.779  6.4516  293.770    72.882   0.0000     0.0000   293.770    72.882   ?       ?       47.779  6.4516  0.000000       6.451616 
1 1 1 -20 -14 35 o 51.453  6.0385  338.465    73.955   0.0000     0.0000   338.465    73.955   ?       ?       51.453  6.0385  0.000000       6.038461 
1 1 1 -20 -14 36 o 89.160  4.2003  984.974    90.869   1106.95    140.798  897.901    118.960  93.159  6.2653  84.122  5.8648  9.036690       8.581905 
1 1 1 -20 -14 37 o 11.614  5.2371  -14.2821   31.219   -8.1485    40.564   -23.1943   48.896   13.960  6.1517  14.332  6.4997  -0.3713007     8.949233 
1 1 1 -20 -14 38 o 54.047  4.0941  364.206    53.291   329.779    73.270   402.871    77.649   50.595  6.0907  56.133  5.7839  -5.538231      8.399441 
1 1 1 -20 -14 39 o 35.481  6.3114  165.153    52.344   144.418    61.901   217.182    98.055   32.523  7.9184  38.856  10.252  -6.333221      12.95377 
1 1 1 -20 -14 40 o 16.947  6.5802  25.800     38.750   34.641     45.145   1.0606     75.523   18.702  7.1438  19.498  8.4977  -0.7962208     11.10157 
1 1 1 -20 -14 41 o 72.450  3.9499  653.190    69.174   639.029    96.730   668.012    98.961   70.721  5.6850  72.315  5.6858  -1.593796      8.040377 
1 1 1 -20 -14 42 o 56.062  4.6056  395.915    62.096   360.664    87.722   431.320    87.913   52.196  7.1114  57.580  6.4007  -5.383442      9.567741 
1 1 1 -20 -14 43 o 46.955  5.0211  280.821    56.319   200.663    77.083   372.610    82.486   37.917  8.5789  53.359  6.5057  -15.44223      10.76671 
1 1 1 -20 -14 44 o 36.770  5.8014  176.543    50.043   203.019    67.511   144.255    74.554   38.663  7.4667  31.815  9.1610  6.848322       11.81844 
1 1 1 -20 -14 45 o 31.431  10.220  143.930    89.302   -7.4499    185.592  189.538    101.870  27.306  12.491  35.439  10.839  -8.132229      16.53799 
1 1 1 -20 -14 46 f 41.467  10.645  260.721    107.647  167.203    215.214  291.924    124.315  34.264  14.632  43.110  11.621  -8.845776      18.68484 
1 1 1 -20 -14 47 o 61.569  4.7550  482.962    70.486   401.258    92.445   596.418    108.937  54.480  7.1673  66.855  6.8105  -12.37576      9.887060 
1 1 1 -20 -14 48 o 30.098  6.8295  124.726    48.732   125.091    59.454   123.980    85.068   29.585  8.0622  29.004  9.9835  0.5809975      12.83232 
1 1 1 -20 -14 49 o 26.920  6.7667  100.515    44.150   153.075    52.553   -25.5732   81.397   33.386  6.7199  18.117  8.2816  15.26957       10.66496 
1 1 1 -20 -14 50 o 37.945  5.9387  192.909    52.884   218.534    64.399   139.841    92.675   39.798  6.9200  29.948  10.414  9.850712       12.50340 
1 1 1 -20 -14 51 o 13.320  5.9100  -6.4490    38.070   -7.3634    43.691   -3.5656    77.585   14.173  6.3077  18.639  8.3420  -4.465434      10.45830 
1 1 1 -20 -14 52 o 23.838  9.6725  69.844     87.299   34.870     234.919  75.447     94.033   27.871  13.175  24.513  10.003  3.357937       16.54223 
1 1 1 -20 -14 53 o 25.527  7.2615  94.086     47.119   92.569     55.106   98.211     90.870   25.106  8.0155  25.899  10.071  -0.7924118     12.87124 
1 1 1 -20 -14 54 o 36.445  6.8351  186.944    58.222   211.848    63.482   55.070     146.082  38.710  7.0170  25.303  11.377  13.40736       13.36664 
1 1 1 -20 -14 55 o 11.464  5.2330  -15.6261   32.360   -0.7253    33.256   -280.8696  140.311  12.890  5.6279  16.476  8.2516  -3.585091      9.988078 
1 1 1 -20 -14 56 o 44.606  5.5365  265.923    58.634   264.160    70.751   269.789    104.773  43.360  6.9602  40.220  10.590  3.140579       12.67267 
1 1 1 -20 -14 57 o 30.089  6.9199  128.971    49.468   136.252    57.296   107.653    98.039   30.411  7.7441  26.650  10.433  3.760817       12.99335 
1 1 1 -20 -14 58 o 49.681  11.533  425.576    136.350  159.478    291.253  500.264    154.304  30.698  14.558  52.976  12.249  -22.27831      19.02529 
1 1 1 -20 -14 59 o 27.380  11.115  120.298    115.330  262.347    308.454  97.212     124.349  32.269  15.206  26.219  11.157  6.050209       18.85987 
1 1 1 -20 -14 60 o 29.156  10.985  151.245    105.825  398.582    381.698  130.650    110.143  33.016  15.922  27.657  10.986  5.358797       19.34418 
1 1 1 -20 -13 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 -13 2  o 48.647  4.9480  295.967    57.593   320.726    94.003   281.089    72.871   49.501  8.1072  46.862  6.5908  2.638454       10.44817 
1 1 1 -20 -13 3  o 49.345  3.9859  301.052    47.316   216.005    91.448   332.143    55.292   40.015  9.5510  51.731  4.4483  -11.71523      10.53611 
1 1 1 -20 -13 4  o 25.808  5.0055  85.011     30.214   65.223     49.899   96.465     37.965   23.103  7.6461  27.342  5.8959  -4.239452      9.655302 
1 1 1 -20 -13 5  o 75.296  3.6409  694.324    66.519   598.607    107.055  754.518    84.897   68.944  6.4754  78.177  4.4945  -9.233032      7.882276 
1 1 1 -20 -13 6  o 153.265 6.1517  2922.41    228.771  2417.48    337.556  3351.36    311.122  136.081 10.299  162.843 7.8740  -26.76175      12.96449 
1 1 1 -20 -13 7  o 118.739 5.7922  1747.10    166.878  1741.26    273.589  1750.57    210.589  115.952 9.8164  117.872 7.4007  -1.919731      12.29355 
1 1 1 -20 -13 8  o 40.228  7.0498  207.623    66.304   181.688    119.845  219.062    79.595   37.140  11.817  40.978  8.2899  -3.838371      14.43461 
1 1 1 -20 -13 9  o 55.338  3.9106  376.645    52.170   363.985    83.410   384.781    66.864   53.747  6.5299  55.699  5.0007  -1.951794      8.224801 
1 1 1 -20 -13 10 o 87.822  3.8089  943.318    81.166   701.055    126.081  1114.78    106.068  74.684  7.0407  95.298  4.5871  -20.61382      8.403109 
1 1 1 -20 -13 11 o 69.436  4.0566  592.102    68.048   511.640    110.467  641.304    86.383   63.654  7.2834  72.060  4.9709  -8.405487      8.818007 
1 1 1 -20 -13 12 o 50.259  4.5931  312.348    55.393   410.106    89.580   251.826    70.484   57.142  6.5811  44.570  6.7269  12.57156       9.410775 
1 1 1 -20 -13 13 o 39.999  5.4112  200.433    51.170   419.800    82.631   63.986     65.169   58.009  5.9552  24.228  8.7047  33.78086       10.54683 
1 1 1 -20 -13 14 o 94.480  3.7018  1090.47    84.862   1133.47    121.334  1049.30    118.734  95.858  5.2364  92.192  5.3306  3.666336       7.472317 
1 1 1 -20 -13 15 o 151.125 4.2672  2796.06    156.476  2712.25    224.842  2874.77    217.902  148.076 6.2579  152.618 5.8843  -4.541901      8.589870 
1 1 1 -20 -13 16 o 93.819  3.8236  1075.62    87.041   1057.01    123.937  1093.75    122.270  92.477  5.5490  94.128  5.3758  -1.651436      7.725957 
1 1 1 -20 -13 17 o 95.430  3.8713  1113.08    89.640   974.961    126.149  1253.96    127.400  88.696  5.8951  100.854 5.2240  -12.15739      7.876726 
1 1 1 -20 -13 18 o 164.371 6.0886  3338.63    242.831  3141.83    325.026  3587.24    365.325  157.880 8.5160  168.383 8.9740  -10.50310      12.37158 
1 1 1 -20 -13 19 o 82.100  5.3621  833.021    106.231  744.120    131.933  996.916    179.136  77.024  7.1405  88.713  8.4231  -11.68861      11.04245 
1 1 1 -20 -13 20 o 18.268  7.8444  -1.2424    62.484   -1.2424    62.484   0.0000     0.0000   18.268  7.8444  ?       ?       0.000000       7.844416 
1 1 1 -20 -13 21 o 34.102  8.1225  151.564    66.249   151.564    66.249   0.0000     0.0000   34.102  8.1225  ?       ?       0.000000       8.122513 
1 1 1 -20 -13 22 o 72.623  4.1663  647.938    73.109   574.916    98.417   737.848    109.205  67.919  6.0348  77.053  5.8856  -9.133499      8.429642 
1 1 1 -20 -13 23 f 96.062  4.0589  1129.87    94.607   985.989    130.072  1291.49    137.855  89.046  6.0561  102.142 5.5834  -13.09623      8.237198 
1 1 1 -20 -13 24 o 60.198  4.1448  446.084    60.172   511.618    94.287   401.055    78.158   63.962  6.1511  56.674  5.7638  7.288143       8.429598 
1 1 1 -20 -13 25 o 42.811  5.0141  228.685    51.098   245.166    81.598   218.053    65.540   43.490  8.0284  41.328  6.7703  2.161713       10.50201 
1 1 1 -20 -13 26 o 118.482 6.1723  1748.95    176.832  2064.74    308.333  1594.17    215.860  126.025 10.170  112.116 7.9871  13.90815       12.93134 
1 1 1 -20 -13 27 o 160.430 6.6673  3216.28    259.537  3426.59    421.772  3088.12    329.255  161.512 10.825  155.350 8.7708  6.161896       13.93225 
1 1 1 -20 -13 28 o 62.905  6.8647  501.450    103.078  623.959    233.214  471.707    114.912  65.646  14.973  60.526  8.0222  5.119709       16.98662 
1 1 1 -20 -13 29 o 17.581  6.9398  23.258     43.696   64.027     79.598   5.6726     52.277   25.138  9.5136  17.182  7.2694  7.956053       11.97300 
1 1 1 -20 -13 30 o 52.778  4.7571  346.742    60.265   444.268    104.220  297.751    73.866   58.795  7.4743  48.349  6.4578  10.44594       9.877678 
1 1 1 -20 -13 31 o 56.123  4.7399  392.129    63.943   490.455    106.146  336.124    80.109   61.851  7.2080  51.314  6.5860  10.53703       9.763765 
1 1 1 -20 -13 32 o 91.317  5.4427  1042.62    120.047  0.0000     0.0000   1042.62    120.047  ?       ?       91.317  5.4427  0.000000       5.442681 
1 1 1 -20 -13 33 o 140.179 5.9590  2467.23    202.684  0.0000     0.0000   2467.23    202.684  ?       ?       140.179 5.9590  0.000000       5.958964 
1 1 1 -20 -13 34 o 40.262  7.0770  212.067    66.613   0.0000     0.0000   212.067    66.613   ?       ?       40.262  7.0770  0.000000       7.076997 
1 1 1 -20 -13 35 o 31.826  6.9033  133.832    51.775   162.777    92.596   120.666    62.450   34.229  10.304  29.914  8.3078  4.314726       13.23630 
1 1 1 -20 -13 36 o 54.359  4.2981  368.431    56.229   393.602    82.654   346.747    76.717   55.389  6.2598  51.976  6.2058  3.413765       8.814658 
1 1 1 -20 -13 37 o 22.428  6.3371  65.918     36.011   52.487     47.392   84.266     55.393   21.076  7.4389  25.338  8.0308  -4.261700      10.94671 
1 1 1 -20 -13 38 o 45.369  4.4881  258.569    48.758   229.518    67.021   291.232    71.066   41.788  6.8472  47.416  6.3353  -5.628342      9.328477 
1 1 1 -20 -13 39 f 27.374  7.0511  100.583    47.120   102.406    54.748   95.374     92.544   27.505  7.8284  27.781  10.310  -0.2756462     12.94554 
1 1 1 -20 -13 40 o 31.751  6.9373  134.936    51.951   174.750    61.501   35.759     97.067   36.094  7.2737  23.767  9.9722  12.32732       12.34303 
1 1 1 -20 -13 41 o 58.591  4.3939  430.290    62.010   392.043    84.342   475.290    91.485   54.909  6.4536  60.597  6.3148  -5.688026      9.029143 
1 1 1 -20 -13 42 o 41.908  5.9786  228.117    59.070   218.970    83.257   237.388    83.820   39.581  8.8868  41.403  8.6236  -1.822609      12.38313 
1 1 1 -20 -13 43 o 45.679  5.6265  268.904    61.043   258.202    82.993   281.517    90.101   43.410  8.1794  45.152  8.5369  -1.742405      11.82287 
1 1 1 -20 -13 44 o 23.609  7.6450  73.697     49.994   64.969     67.493   84.308     74.418   23.505  8.7888  25.685  9.2921  -2.180029      12.79011 
1 1 1 -20 -13 45 o 32.684  10.587  157.725    95.867   173.009    217.714  154.048    106.775  35.032  14.829  32.318  11.181  2.713631       18.57202 
1 1 1 -20 -13 46 o 31.249  10.631  143.919    96.410   287.754    220.513  109.927    107.198  39.575  15.600  28.710  10.998  10.86530       19.08712 
1 1 1 -20 -13 47 o 21.083  7.5742  54.929     49.340   64.090     66.311   43.567     73.850   23.052  8.6932  21.837  8.8829  1.214920       12.42889 
1 1 1 -20 -13 48 f 16.762  7.0122  15.093     47.775   59.363     63.802   -41.4102   72.080   22.342  8.5025  16.370  7.5938  5.972010       11.39997 
1 1 1 -20 -13 49 o 21.000  7.6493  55.071     50.555   -6.6015    67.897   131.801    75.733   17.620  7.8507  29.690  9.3880  -12.07008      12.23800 
1 1 1 -20 -13 50 o 47.962  5.6287  303.506    64.259   279.709    85.555   334.306    97.333   44.053  8.3087  47.904  8.6941  -3.851177      12.02587 
1 1 1 -20 -13 51 o 13.199  5.9869  -15.9317   41.507   -22.3093   47.379   5.1166     86.073   13.745  6.2961  19.912  8.8580  -6.167123      10.86766 
1 1 1 -20 -13 52 o 17.046  7.9871  -47.3730   83.028   -494.3681  225.208  22.938     89.319   19.362  9.7890  21.019  9.1988  -1.657087      13.43284 
1 1 1 -20 -13 53 o 18.606  7.0480  40.702     43.712   27.713     50.123   81.954     89.326   17.850  7.2960  24.680  9.8645  -6.830479      12.26942 
1 1 1 -20 -13 54 o 28.905  7.7884  123.403    55.856   107.372    60.399   218.085    146.788  26.726  8.3747  33.492  12.860  -6.765835      15.34678 
1 1 1 -20 -13 55 o 26.157  7.9955  101.471    55.442   99.670     60.018   111.951    144.757  25.827  8.3777  27.746  11.928  -1.918539      14.57600 
1 1 1 -20 -13 56 o 13.443  5.8448  0.8319     35.549   16.052     39.154   -70.5936   84.818   15.445  6.3949  16.263  7.7533  -0.8181038     10.05028 
1 1 1 -20 -13 57 o 7.8801  3.8811  -52.6340   26.297   -38.6250   28.271   -142.5863  71.637   9.0584  4.3598  12.514  6.2069  -3.455284      7.585110 
1 1 1 -20 -13 58 f 30.378  11.016  158.132    104.688  211.455    370.598  153.508    109.133  31.932  15.471  29.934  11.179  1.998335       19.08734 
1 1 1 -20 -13 59 o 29.269  10.822  146.568    101.763  -67.2494   374.281  163.636    105.747  27.949  13.916  30.507  11.071  -2.557520      17.78271 
1 1 1 -20 -13 60 o 18.506  8.5565  -19.9023   90.424   -101.8787  370.285  -14.7037   93.247   26.855  13.443  18.960  8.7394  7.894276       16.03418 
1 1 1 -20 -12 1  o 37.543  4.4221  176.053    39.511   0.0000     0.0000   176.053    39.511   ?       ?       37.543  4.4221  0.000000       4.422142 
1 1 1 -20 -12 2  o 12.047  4.9667  5.7125     23.478   -32.6310   37.471   30.494     30.124   11.701  5.4439  16.704  5.9270  -5.002966      8.047678 
1 1 1 -20 -12 3  o 67.107  3.6347  553.183    58.963   464.715    94.051   610.470    75.683   60.652  6.4915  70.292  4.4605  -9.639618      7.876326 
1 1 1 -20 -12 4  o 21.352  5.2221  58.545     26.831   71.052     43.661   50.956     34.011   23.629  7.0673  20.233  6.2753  3.395901       9.451219 
1 1 1 -20 -12 5  o 38.526  4.1516  184.100    38.196   151.786    62.327   203.535    48.336   34.089  7.7151  40.331  5.0501  -6.242069      9.220978 
1 1 1 -20 -12 6  o 63.172  5.8297  498.077    88.350   489.028    158.066  502.188    106.549  60.457  11.187  63.020  7.0911  -2.563145      13.24535 
1 1 1 -20 -12 7  f 57.035  6.1917  407.792    84.311   374.941    157.025  421.098    99.939   52.324  12.533  57.615  7.3136  -5.291004      14.51106 
1 1 1 -20 -12 8  o 72.163  4.3456  640.603    75.736   500.525    172.645  673.984    84.278   60.947  12.101  73.936  4.7224  -12.98917      12.99016 
1 1 1 -20 -12 9  o 10.573  4.8586  -20.8798   28.524   -0.8531    44.299   -35.0631   37.280   15.453  6.6195  11.552  5.3931  3.900316       8.538340 
1 1 1 -20 -12 10 f 108.883 3.9424  1449.74    104.157  1258.47    160.085  1590.14    137.159  100.535 6.5991  113.771 4.9685  -13.23574      8.260451 
1 1 1 -20 -12 11 o 131.129 4.1155  2103.56    130.944  2214.27    200.537  2021.27    172.889  133.842 6.1750  128.100 5.5623  5.742279       8.310863 
1 1 1 -20 -12 12 o 63.698  3.8406  497.513    59.081   309.202    83.004   690.901    84.115   49.413  7.1292  74.935  4.6491  -25.52203      8.511141 
1 1 1 -20 -12 13 o 20.333  6.5640  49.880     36.877   46.169     49.544   54.490     55.221   20.959  7.5819  22.427  8.0176  -1.467871      11.03476 
1 1 1 -20 -12 14 o 13.990  5.9694  -0.1000    35.770   -2.8623    46.525   3.8934     55.939   15.686  6.7530  17.725  7.5106  -2.039474      10.10008 
1 1 1 -20 -12 15 o 75.344  4.0159  695.771    73.152   689.563    100.103  702.885    107.162  74.660  5.5658  75.288  5.9137  -0.6285400     8.120944 
1 1 1 -20 -12 16 o 41.855  5.3795  218.760    53.369   169.404    70.812   283.656    81.199   36.118  8.2597  47.261  7.3174  -11.14233      11.03479 
1 1 1 -20 -12 17 o 72.107  4.1181  637.763    71.752   653.539    96.973   618.677    106.662  72.678  5.5407  70.501  6.3017  2.177711       8.391100 
1 1 1 -20 -12 18 o 11.080  5.4038  -85.6991   47.269   -63.7541   51.180   -213.0387  123.287  12.732  6.0567  17.930  8.7405  -5.198008      10.63393 
1 1 1 -20 -12 19 o 40.140  8.8141  209.958    83.494   209.958    83.494   0.0000     0.0000   40.140  8.8141  ?       ?       0.000000       8.814102 
1 1 1 -20 -12 20 o 68.345  7.0538  585.963    115.294  585.963    115.294  0.0000     0.0000   68.345  7.0538  ?       ?       0.000000       7.053800 
1 1 1 -20 -12 21 o 127.659 4.1613  1994.11    128.898  1938.46    181.792  2050.38    182.790  125.299 5.9795  128.916 5.8436  -3.616806      8.360736 
1 1 1 -20 -12 22 o 117.344 4.1875  1685.52    119.228  1594.20    167.671  1778.92    169.573  113.396 6.1166  120.054 5.8212  -6.658997      8.443864 
1 1 1 -20 -12 23 o 24.952  6.8240  79.893     42.505   80.569     77.254   79.600     50.902   26.710  9.4900  25.131  7.6568  1.578447       12.19374 
1 1 1 -20 -12 24 o 76.822  4.2567  725.312    79.035   856.565    121.056  627.800    104.342  82.981  6.0541  70.957  6.1203  12.02396       8.608699 
1 1 1 -20 -12 25 o 64.641  4.4289  515.024    69.047   596.198    108.842  460.355    89.321   68.949  6.5860  60.646  6.1553  8.303349       9.014584 
1 1 1 -20 -12 26 o 61.271  7.2705  476.020    105.980  481.711    227.936  474.450    119.706  57.684  15.813  60.767  8.3385  -3.082554      17.87726 
1 1 1 -20 -12 27 o 27.985  9.6256  94.299     79.072   197.810    203.731  75.941     85.798   40.431  15.240  26.750  9.9275  13.68047       18.18804 
1 1 1 -20 -12 28 o 18.777  8.2947  -16.7612   74.199   112.532    184.068  -41.8470   81.078   35.023  14.103  18.340  8.3377  16.68306       16.38330 
1 1 1 -20 -12 29 o 74.392  4.3065  682.706    77.402   803.146    122.074  601.733    100.094  79.964  6.3437  69.274  6.0146  10.69024       8.741745 
1 1 1 -20 -12 30 o 22.320  7.3051  61.202     45.595   9.1797     86.694   81.093     53.607   21.798  9.2967  25.241  7.8865  -3.443748      12.19126 
1 1 1 -20 -12 31 o 45.012  6.5754  259.385    69.696   0.0000     0.0000   259.385    69.696   ?       ?       45.012  6.5754  0.000000       6.575409 
1 1 1 -20 -12 32 o 43.571  6.8421  244.957    69.952   0.0000     0.0000   244.957    69.952   ?       ?       43.571  6.8421  0.000000       6.842144 
1 1 1 -20 -12 33 o 66.466  5.8947  557.717    94.081   0.0000     0.0000   557.717    94.081   ?       ?       66.466  5.8947  0.000000       5.894720 
1 1 1 -20 -12 34 f 71.019  4.4555  626.655    76.390   734.078    117.358  547.680    100.625  75.957  6.4280  65.550  6.4086  10.40701       9.076804 
1 1 1 -20 -12 35 o 37.755  6.2464  184.419    55.222   87.109     87.765   248.191    71.048   27.230  10.054  43.642  6.9419  -16.41257      12.21732 
1 1 1 -20 -12 36 o 58.454  4.2737  425.423    60.195   424.294    83.135   426.668    87.273   57.659  6.0315  57.675  6.3411  -0.1535034E-01 8.751484 
1 1 1 -20 -12 37 o 48.103  4.7431  291.010    54.640   270.818    72.772   317.107    82.729   45.564  6.7896  49.198  7.1386  -3.633701      9.851827 
1 1 1 -20 -12 38 o 49.626  5.6395  314.466    66.701   403.668    82.269   143.344    113.946  56.046  6.1507  32.411  11.524  23.63520       13.06302 
1 1 1 -20 -12 39 o 44.147  5.7027  250.255    59.659   251.599    71.933   247.295    106.780  43.673  7.0264  41.382  10.590  2.291302       12.70930 
1 1 1 -20 -12 40 o 28.642  6.9754  110.132    48.026   120.838    56.658   82.804     90.521   29.789  7.7608  26.634  10.129  3.155272       12.76074 
1 1 1 -20 -12 41 o 57.944  4.5677  421.823    63.699   359.599    86.839   494.302    93.722   52.266  7.0254  61.814  6.3383  -9.547920      9.462084 
1 1 1 -20 -12 42 o 22.398  7.7665  62.469     51.528   55.552     68.533   71.465     78.153   22.843  8.7836  24.889  9.4250  -2.046507      12.88340 
1 1 1 -20 -12 43 f 51.922  6.6593  353.730    81.964   369.780    102.468  325.217    136.574  52.006  8.4071  46.009  12.080  5.997684       14.71739 
1 1 1 -20 -12 44 o 27.742  7.7138  105.690    53.806   93.251     71.845   121.578    81.195   26.473  9.1712  29.455  9.7537  -2.982231      13.38825 
1 1 1 -20 -12 45 o 27.280  10.428  93.323     96.235   18.610     194.944  117.397    110.658  28.689  12.998  29.573  11.211  -0.8837910     17.16468 
1 1 1 -20 -12 46 f 16.663  7.8437  -65.6025   81.671   -253.8764  204.707  -29.9608   89.067   22.497  11.030  19.054  8.6917  3.442945       14.04279 
1 1 1 -20 -12 47 o 22.495  7.7193  66.205     50.839   90.101     68.380   36.670     76.021   25.700  8.9448  21.509  8.9085  4.191105       12.62421 
1 1 1 -20 -12 48 o 22.772  7.7887  69.018     51.751   75.883     69.561   60.507     77.446   24.202  8.9474  23.289  9.2243  0.9130192      12.85085 
1 1 1 -20 -12 49 o 28.725  7.6690  117.372    54.454   120.766    73.595   113.267    80.948   28.583  9.2774  27.822  9.7294  0.7608624      13.44362 
1 1 1 -20 -12 50 f 33.252  7.1912  155.139    56.332   146.216    74.765   166.857    85.676   31.066  9.2383  32.720  9.9257  -1.653740      13.55973 
1 1 1 -20 -12 51 o 20.425  7.6441  51.225     51.079   115.635    65.417   -49.3894   81.760   27.844  8.7140  16.917  7.9262  10.92711       11.77963 
1 1 1 -20 -12 52 o 17.674  7.3445  23.011     51.917   86.554     68.308   -63.9066   79.890   24.614  8.9028  16.051  7.6155  8.563353       11.71561 
1 1 1 -20 -12 53 o 34.098  7.3693  166.894    59.192   93.060     75.884   281.634    94.597   25.257  9.3437  42.675  9.3904  -17.41835      13.24703 
1 1 1 -20 -12 54 o 53.438  6.4524  391.167    81.970   400.618    93.907   360.921    168.001  53.076  7.5008  41.566  14.034  11.50919       15.91296 
1 1 1 -20 -12 55 o 27.111  7.6742  107.873    52.761   116.946    56.542   46.767     146.738  28.075  7.9435  25.128  11.340  2.947784       13.84546 
1 1 1 -20 -12 56 o 23.037  7.2508  75.371     45.220   83.911     52.676   51.444     88.167   24.097  7.8503  22.549  9.4847  1.547966       12.31204 
1 1 1 -20 -12 57 f 15.400  6.3062  17.583     37.531   30.182     41.728   -35.7554   85.858   17.246  6.7900  17.749  8.2520  -0.5031357     10.68641 
1 1 1 -20 -12 58 o 22.777  9.7567  49.702     96.232   29.809     334.940  51.492     100.468  29.092  14.230  23.103  9.9346  5.989046       17.35489 
1 1 1 -20 -12 59 f 21.438  9.3991  31.803     93.628   -127.2758  371.369  42.601     96.754   27.266  13.621  22.214  9.6503  5.051691       16.69327 
1 1 1 -20 -12 60 o 16.068  7.7350  -81.7575   89.081   177.930    372.056  -97.5499   91.750   29.848  14.681  15.847  7.6827  14.00125       16.56947 
1 1 1 -20 -11 1  o 89.799  6.5985  1015.45    142.767  0.0000     0.0000   1015.45    142.767  ?       ?       89.799  6.5985  0.000000       6.598514 
1 1 1 -20 -11 2  o 117.967 5.4169  1723.39    155.052  1454.49    234.624  1931.88    206.593  106.027 9.2115  123.947 6.8966  -17.91959      11.50716 
1 1 1 -20 -11 3  o 67.206  3.6593  554.414    59.446   473.625    94.101   608.068    76.687   61.344  6.4170  70.181  4.5275  -8.836983      7.853404 
1 1 1 -20 -11 4  o 31.249  4.5465  122.397    33.462   59.881     54.005   161.354    42.632   22.831  7.9491  35.854  5.0396  -13.02236      9.411984 
1 1 1 -20 -11 5  o 63.554  3.6795  495.519    56.498   442.016    90.148   530.127    72.503   59.347  6.3593  65.546  4.5877  -6.198860      7.841442 
1 1 1 -20 -11 6  o 137.954 6.1377  2357.05    205.450  2109.71    326.801  2518.69    264.186  127.560 10.656  141.579 7.7195  -14.01914      13.15844 
1 1 1 -20 -11 7  o 82.575  5.8506  846.151    116.465  532.940    205.144  995.116    141.476  62.142  13.948  89.329  6.5733  -27.18757      15.41904 
1 1 1 -20 -11 8  o 118.292 3.9460  1710.96    113.261  1836.21    175.675  1621.87    148.166  121.946 5.9371  114.806 5.3189  7.140030       7.971198 
1 1 1 -20 -11 9  o 159.125 4.4554  3101.42    172.025  2882.74    258.596  3275.01    230.397  152.354 6.9953  162.968 5.8266  -10.61362      9.103984 
1 1 1 -20 -11 10 o 104.219 3.6958  1326.15    93.458   1162.18    134.472  1479.35    129.981  96.968  5.7409  109.816 4.8781  -12.84808      7.533491 
1 1 1 -20 -11 11 o 55.304  3.9329  375.516    52.432   518.464    74.634   236.216    73.676   64.866  4.7755  43.049  7.3152  21.81690       8.735974 
1 1 1 -20 -11 12 o 17.528  7.1566  14.972     48.158   16.191     68.898   13.806     67.339   20.460  8.4782  20.082  8.3564  0.3788967      11.90411 
1 1 1 -20 -11 13 o 122.704 3.9760  1839.33    118.379  1664.77    167.397  2013.96    167.429  116.092 5.9628  128.028 5.3897  -11.93568      8.037619 
1 1 1 -20 -11 14 o 170.611 4.6034  3563.94    190.566  3243.60    271.506  3874.98    267.538  161.837 6.9141  177.232 6.2213  -15.39510      9.301035 
1 1 1 -20 -11 15 o 83.251  3.8931  846.346    78.641   760.785    108.841  939.804    113.753  78.426  5.7600  87.305  5.3963  -8.879303      7.892855 
1 1 1 -20 -11 16 o 85.044  3.9236  883.286    80.964   756.899    111.882  1022.23    117.311  78.175  5.9428  91.084  5.3313  -12.90824      7.983668 
1 1 1 -20 -11 17 o 174.180 4.6457  3715.29    196.343  3424.40    279.179  3999.98    276.188  166.283 6.9194  180.018 6.3230  -13.73535      9.373311 
1 1 1 -20 -11 18 o 124.865 7.6092  1946.29    229.438  1946.29    229.438  0.0000     0.0000   124.865 7.6092  ?       ?       0.000000       7.609186 
1 1 1 -20 -11 19 o 24.859  9.9909  41.157     92.185   41.157     92.185   0.0000     0.0000   24.859  9.9909  ?       ?       0.000000       9.990851 
1 1 1 -20 -11 20 o 60.067  6.8388  452.424    97.896   447.079    122.532  461.856    162.778  59.090  8.8159  58.967  11.789  0.1234093      14.72072 
1 1 1 -20 -11 21 o 118.871 4.2613  1728.90    122.908  1673.59    174.448  1783.41    173.196  116.249 6.2070  120.255 5.9357  -4.005287      8.588366 
1 1 1 -20 -11 22 o 161.936 4.4981  3212.65    176.739  3508.91    255.818  2942.11    244.462  168.473 6.2580  154.136 6.5365  14.33659       9.049201 
1 1 1 -20 -11 23 o 99.282  4.0178  1205.60    96.788   1443.85    145.182  1015.00    129.855  108.117 5.5529  90.476  5.9482  17.64040       8.137354 
1 1 1 -20 -11 24 o 96.335  4.1856  1136.34    97.837   1179.91    149.244  1103.51    129.559  97.390  6.3504  94.406  5.6824  2.983948       8.521572 
1 1 1 -20 -11 25 o 151.462 4.4825  2814.26    164.736  3156.78    240.733  2512.60    225.917  159.603 6.2163  142.227 6.5464  17.37558       9.027604 
1 1 1 -20 -11 26 o 71.145  7.2984  639.239    124.206  1368.34    233.029  349.908    146.796  103.188 9.4107  50.648  12.109  52.53960       15.33584 
1 1 1 -20 -11 27 o 32.804  10.372  139.226    92.448   103.234    207.158  148.176    103.305  36.032  14.792  33.892  10.991  2.139641       18.42854 
1 1 1 -20 -11 28 o 81.475  6.7701  835.038    132.627  772.340    246.683  860.531    157.296  74.108  14.236  82.154  7.9920  -8.046707      16.32598 
1 1 1 -20 -11 29 o 140.783 4.4671  2438.68    152.594  2693.56    223.140  2214.77    209.140  146.971 6.2572  133.143 6.4737  13.82788       9.003456 
1 1 1 -20 -11 30 o 109.049 4.6110  1466.08    122.007  1717.86    201.786  1320.99    153.178  116.539 7.1708  102.697 6.1759  13.84212       9.463725 
1 1 1 -20 -11 31 o 94.569  5.8238  1118.94    132.986  0.0000     0.0000   1118.94    132.986  ?       ?       94.569  5.8238  0.000000       5.823804 
1 1 1 -20 -11 32 o 77.337  5.8138  750.964    108.299  0.0000     0.0000   750.964    108.299  ?       ?       77.337  5.8138  0.000000       5.813849 
1 1 1 -20 -11 33 o 88.415  4.2999  964.941    92.246   1091.60    138.733  864.568    123.502  93.011  6.1825  82.725  6.1979  10.28588       8.754247 
1 1 1 -20 -11 34 o 54.215  4.9317  368.104    64.165   360.130    97.386   374.222    85.298   52.383  7.9083  53.996  6.6510  -1.613430      10.33326 
1 1 1 -20 -11 35 o 93.472  4.0101  1078.34    90.948   1054.77    127.194  1103.01    130.096  91.458  5.7611  93.534  5.7603  -2.075508      8.146884 
1 1 1 -20 -11 36 o 58.458  4.3498  425.753    61.257   312.702    82.690   563.247    91.193   48.919  7.1801  66.695  5.6896  -17.77530      9.161081 
1 1 1 -20 -11 37 o 73.540  4.1557  671.852    73.849   642.703    103.451  702.142    105.455  70.994  6.0637  74.320  5.8963  -3.326508      8.457831 
1 1 1 -20 -11 38 o 37.987  6.4132  188.457    57.008   217.997    68.977   124.796    101.261  40.539  7.2800  30.645  10.867  9.893957       13.08057 
1 1 1 -20 -11 39 o 75.718  5.1390  722.922    93.855   744.174    116.742  684.080    157.824  76.059  6.3848  70.615  9.4479  5.443748       11.40296 
1 1 1 -20 -11 40 o 42.565  5.8677  233.831    58.990   247.897    70.667   201.502    107.135  43.350  6.9534  37.122  11.063  6.227528       13.06697 
1 1 1 -20 -11 41 o 86.571  4.3088  933.109    90.510   890.478    127.314  976.670    128.697  83.126  6.3604  87.264  6.1168  -4.137810      8.824390 
1 1 1 -20 -11 42 o 29.678  7.7673  120.427    56.584   109.397    78.008   132.673    82.199   28.405  9.5633  30.761  9.7863  -2.355276      13.68318 
1 1 1 -20 -11 43 o 61.883  4.7451  483.055    70.706   504.485    98.846   460.600    101.182  62.133  6.6603  58.982  7.2208  3.151146       9.823433 
1 1 1 -20 -11 44 o 53.666  9.2214  403.687    115.750  27.241     234.044  525.577    133.177  30.978  14.115  61.352  9.2322  -30.37379      16.86611 
1 1 1 -20 -11 45 o 41.871  10.133  257.687    101.834  -120.0891  225.092  354.907    114.188  26.557  12.653  49.607  9.8341  -23.05019      16.02485 
1 1 1 -20 -11 46 o 22.574  9.6889  26.241     95.241   -81.4773   212.207  53.413     106.579  26.490  12.522  24.989  10.465  1.501318       16.31924 
1 1 1 -20 -11 47 f 14.797  6.6261  -13.0741   49.014   -12.3584   64.030   -14.0871   76.173   16.963  7.5862  18.329  8.2301  -1.365519      11.19306 
1 1 1 -20 -11 48 o 17.852  7.3168  23.379     50.581   28.858     66.014   15.590     78.715   19.919  8.2800  20.218  8.7437  -0.2996464     12.04203 
1 1 1 -20 -11 49 o 15.177  6.7380  -7.3204    49.559   -63.6670   64.351   74.814     77.694   14.292  6.7968  24.314  9.3515  -10.02201      11.56060 
1 1 1 -20 -11 50 o 24.413  7.8549  84.071     52.842   69.544     70.825   102.311    79.362   23.394  8.9450  26.602  9.6001  -3.207739      13.12153 
1 1 1 -20 -11 51 o 16.857  7.0986  15.956     49.478   141.771    63.580   -177.2286  78.784   30.968  8.2950  12.665  6.3186  18.30307       10.42740 
1 1 1 -20 -11 52 o 17.097  7.1454  19.367     49.540   70.478     66.220   -45.5985   74.657   23.018  8.6855  16.196  7.5839  6.822466       11.53058 
1 1 1 -20 -11 53 o 32.714  8.5996  162.141    69.162   175.988    79.263   117.965    141.574  33.483  9.3811  28.202  11.949  5.281008       15.19158 
1 1 1 -20 -11 54 o 44.181  7.2709  276.135    75.232   199.428    88.268   479.831    143.840  35.164  9.9164  53.375  11.450  -18.21132      15.14694 
1 1 1 -20 -11 55 f 16.601  7.0767  13.165     50.185   -68.0053   64.852   134.330    79.235   13.989  6.6990  29.151  9.6344  -15.16206      11.73448 
1 1 1 -20 -11 56 o 45.307  6.1935  278.988    66.304   122.383    90.284   462.341    97.690   27.929  10.215  57.505  7.1561  -29.57652      12.47198 
1 1 1 -20 -11 57 o 21.492  9.5054  22.253     97.718   334.715    362.904  -2.1729    101.466  34.556  16.347  20.596  9.3494  13.96000       18.83202 
1 1 1 -20 -11 58 o 17.770  8.3890  -55.4099   94.671   -497.2396  363.983  -23.3507   98.046   24.299  12.301  19.315  8.9234  4.983551       15.19661 
1 1 1 -20 -11 59 o 22.618  9.8954  43.952     103.286  -72.5624   375.591  53.484     107.428  27.818  13.866  23.316  10.149  4.502094       17.18315 
1 1 1 -20 -10 1  o 96.793  5.1571  1160.60    120.682  781.627    184.419  1444.43    159.600  77.081  10.104  107.560 6.1408  -30.47932      11.82342 
1 1 1 -20 -10 2  o 50.108  3.8974  309.389    47.012   172.337    90.014   360.796    55.128   35.969  9.9686  54.062  4.2365  -18.09241      10.83152 
1 1 1 -20 -10 3  o 94.849  3.7520  1100.71    86.350   898.541    134.511  1242.44    112.620  84.720  6.5954  100.554 4.6159  -15.83372      8.050216 
1 1 1 -20 -10 4  o 92.485  3.7024  1045.78    83.084   890.472    130.374  1151.98    107.811  84.469  6.4088  96.868  4.5869  -12.39892      7.881130 
1 1 1 -20 -10 5  o 34.393  5.7445  149.755    46.247   101.161    60.283   219.262    72.098   28.096  8.2805  41.318  7.4663  -13.22157      11.14954 
1 1 1 -20 -10 6  o 187.186 6.9635  4355.45    316.274  4299.77    485.592  4396.48    416.805  182.452 11.021  186.392 9.2160  -3.940781      14.36615 
1 1 1 -20 -10 7  o 181.764 6.6588  4094.10    293.678  4614.17    453.638  3718.88    385.320  190.385 9.8538  171.312 9.3047  19.07291       13.55262 
1 1 1 -20 -10 8  o 72.754  3.5935  646.000    63.437   491.799    90.733   793.461    88.727   62.870  6.0214  80.358  4.5694  -17.48758      7.558897 
1 1 1 -20 -10 9  o 36.479  4.3861  165.108    38.044   180.605    50.366   144.518    58.055   37.918  5.6465  33.489  7.3466  4.429169       9.265875 
1 1 1 -20 -10 10 o 80.402  3.6983  788.939    72.149   683.042    99.721   905.269    104.517  74.334  5.5693  85.765  5.0446  -11.43084      7.514348 
1 1 1 -20 -10 11 o 151.292 4.2714  2798.43    156.803  2588.00    224.189  2999.96    219.393  144.808 6.3805  156.142 5.7908  -11.33391      8.616538 
1 1 1 -20 -10 12 o 119.954 3.9666  1757.16    115.451  1632.24    163.713  1880.74    162.835  115.018 5.8859  123.751 5.4230  -8.732605      8.003244 
1 1 1 -20 -10 13 o 144.337 4.6695  2550.24    163.535  2514.49    266.622  2571.80    207.058  142.011 7.7671  144.561 5.9031  -2.549332      9.755702 
1 1 1 -20 -10 14 o 50.856  4.7592  319.370    58.044   300.996    81.006   338.758    83.211   48.847  7.0378  51.946  6.7621  -3.099499      9.759979 
1 1 1 -20 -10 15 o 65.450  4.3777  526.067    69.121   544.782    97.366   507.052    98.141   66.234  6.1279  63.806  6.4266  2.428555       8.879853 
1 1 1 -20 -10 16 o 51.712  5.0385  330.803    62.417   274.266    87.697   388.848    88.858   46.304  8.1005  55.724  6.7065  -9.419888      10.51642 
1 1 1 -20 -10 17 o 141.366 6.4178  2465.76    220.138  2465.76    220.138  0.0000     0.0000   141.366 6.4178  ?       ?       0.000000       6.417791 
1 1 1 -20 -10 18 o 120.731 7.6146  1817.81    221.921  1817.81    221.921  0.0000     0.0000   120.731 7.6146  ?       ?       0.000000       7.614608 
1 1 1 -20 -10 19 o 158.001 8.4066  3127.68    321.131  3127.68    321.131  0.0000     0.0000   158.001 8.4066  ?       ?       0.000000       8.406626 
1 1 1 -20 -10 20 o 77.882  6.2092  752.714    116.362  806.341    146.978  662.650    190.475  80.175  7.6480  71.175  11.415  8.999268       13.74023 
1 1 1 -20 -10 21 o 19.092  8.5729  -34.4597   82.651   421.703    146.883  -245.8146  99.981   56.567  11.098  14.500  7.2155  42.06727       13.23729 
1 1 1 -20 -10 22 o 74.883  4.1293  687.713    74.737   683.619    114.151  690.785    98.876   74.101  6.4120  74.744  5.4904  -0.6430740     8.441435 
1 1 1 -20 -10 23 o 179.630 4.7737  3957.92    208.065  4453.20    300.323  3500.77    288.528  189.639 6.5267  167.839 7.0849  21.80086       9.632953 
1 1 1 -20 -10 24 o 196.708 4.9735  4753.50    237.382  5108.88    341.738  4422.14    329.987  202.733 6.9471  188.437 7.2172  14.29630       10.01749 
1 1 1 -20 -10 25 o 38.882  6.0215  191.097    54.972   137.434    84.605   230.307    72.319   32.594  9.8582  42.419  7.2889  -9.825466      12.26015 
1 1 1 -20 -10 26 o 106.203 6.4225  1405.26    164.725  1530.53    293.650  1347.74    198.980  107.940 11.384  103.254 8.0047  4.686081       13.91627 
1 1 1 -20 -10 27 o 99.933  6.5075  1247.51    156.932  1344.33    285.688  1205.66    187.804  100.485 11.952  97.522  8.0074  2.963516       14.38616 
1 1 1 -20 -10 28 o 54.538  8.4309  384.940    107.969  295.620    226.994  411.055    122.742  46.291  16.287  56.010  9.3621  -9.718876      18.78563 
1 1 1 -20 -10 29 o 129.305 4.7075  2059.70    147.695  2283.96    240.651  1924.18    187.071  134.488 7.4031  124.286 6.2033  10.20197       9.658512 
1 1 1 -20 -10 30 o 152.336 6.3630  2900.53    235.195  0.0000     0.0000   2900.53    235.195  ?       ?       152.336 6.3630  0.000000       6.362997 
1 1 1 -20 -10 31 o 172.185 6.7741  3729.53    283.016  0.0000     0.0000   3729.53    283.016  ?       ?       172.185 6.7741  0.000000       6.774098 
1 1 1 -20 -10 32 o 63.348  5.7948  504.786    88.084   449.819    233.252  513.928    95.128   53.857  16.386  63.751  6.2294  -9.893562      17.53045 
1 1 1 -20 -10 33 o 67.829  4.5012  571.051    73.661   681.783    108.485  476.329    100.336  73.455  6.1431  60.985  6.9022  12.47015       9.240033 
1 1 1 -20 -10 34 o 20.426  6.8114  50.819     39.572   57.969     50.723   39.700     63.254   22.119  7.7036  21.341  8.3732  0.7789173      11.37786 
1 1 1 -20 -10 35 o 63.536  4.3381  501.758    66.478   477.278    91.741   528.823    96.465   61.172  6.2694  64.428  6.2493  -3.255779      8.852041 
1 1 1 -20 -10 36 o 61.011  4.4172  463.849    64.949   393.651    89.335   542.557    94.594   55.173  6.8182  65.289  6.0396  -10.11622      9.108470 
1 1 1 -20 -10 37 o 53.017  4.5297  351.778    57.712   360.515    77.043   340.607    87.115   53.037  6.0976  50.990  7.2449  2.046909       9.469428 
1 1 1 -20 -10 38 o 36.735  6.3764  176.293    54.774   151.257    64.885   238.377    102.177  33.339  8.1008  40.923  10.298  -7.584145      13.10258 
1 1 1 -20 -10 39 o 42.135  5.9452  229.162    59.092   204.561    70.487   287.341    108.397  38.999  7.7222  44.986  10.169  -5.987434      12.76913 
1 1 1 -20 -10 40 o 61.594  4.6750  476.446    69.348   384.879    98.323   567.086    97.824   53.743  7.7652  66.443  6.1371  -12.70052      9.897588 
1 1 1 -20 -10 41 o 100.757 4.3255  1263.98    105.748  1255.75    149.296  1272.26    149.805  98.894  6.2540  99.563  6.2324  -0.6687393     8.829236 
1 1 1 -20 -10 42 o 70.785  4.6777  629.678    79.887   555.361    111.201  708.943    114.843  64.964  7.1743  73.998  6.4610  -9.033669      9.654771 
1 1 1 -20 -10 43 o 42.106  6.3493  232.316    62.853   226.573    86.244   238.821    91.791   40.135  9.0696  41.024  9.4202  -0.8890686     13.07657 
1 1 1 -20 -10 44 o 45.013  9.8194  291.344    104.229  265.990    225.836  298.206    117.491  39.630  15.734  44.740  10.919  -5.110058      19.15186 
1 1 1 -20 -10 45 o 37.498  10.947  212.893    105.802  254.166    224.272  201.079    119.993  38.605  15.559  36.065  11.853  2.539654       19.55998 
1 1 1 -20 -10 46 o 23.440  7.7848  73.026     51.709   116.723    70.362   21.713     76.247   28.665  9.0474  20.597  8.7499  8.068768       12.58636 
1 1 1 -20 -10 47 o 36.727  6.3918  180.654    54.891   197.925    81.864   166.546    73.987   36.791  9.1956  33.877  8.8894  2.913921       12.78986 
1 1 1 -20 -10 48 o 23.839  7.4913  78.162     48.291   59.002     68.134   97.503     68.454   22.574  8.7364  26.311  8.9581  -3.736633      12.51285 
1 1 1 -20 -10 49 o 18.015  7.1118  31.106     45.894   129.782    65.865   -62.0170   63.985   29.755  8.6231  14.308  6.7963  15.44698       10.97942 
1 1 1 -20 -10 50 o 35.140  6.4294  168.468    52.800   149.681    75.624   186.337    73.751   31.386  9.2814  35.514  8.6410  -4.127426      12.68116 
1 1 1 -20 -10 51 o 14.669  6.5917  -11.7521   48.957   -19.0645   65.334   -2.3882    73.932   16.434  7.4763  18.338  8.1799  -1.903814      11.08178 
1 1 1 -20 -10 52 o 20.204  7.6572  49.565     51.613   72.868     69.176   20.301     77.519   23.359  8.8620  19.937  8.6495  3.422043       12.38344 
1 1 1 -20 -10 53 o 11.619  5.6709  -82.6186   52.328   -95.6037   59.501   -38.2932   109.933  12.252  5.9941  19.851  9.2651  -7.598433      11.03496 
1 1 1 -20 -10 54 o 12.631  6.0515  -59.8485   53.042   -70.7028   60.147   -21.8746   112.501  13.238  6.3686  20.641  9.5440  -7.403093      11.47373 
1 1 1 -20 -10 55 o 14.855  6.6692  -10.2035   49.994   11.746     68.180   -35.7301   73.527   18.479  8.0632  16.466  7.6491  2.012602       11.11413 
1 1 1 -20 -10 56 o 12.673  5.9526  -37.7520   46.594   5.0853     60.322   -101.1165  73.365   17.218  7.5468  13.946  6.7863  3.271528       10.14926 
1 1 1 -20 -10 57 o 20.817  9.4095  2.4974     101.489  32.518     366.178  -0.0006    105.627  29.942  14.694  21.009  9.5376  8.932878       17.51802 
1 1 1 -20 -10 58 o 26.167  10.445  101.203    100.016  -83.0169   378.555  115.028    103.701  28.310  14.080  27.179  10.703  1.131363       17.68604 
1 1 1 -20 -10 59 o 25.330  10.430  92.019     103.385  399.850    384.719  68.058     107.334  33.742  16.200  24.047  10.302  9.695072       19.19875 
1 1 1 -20 -9  1  o 36.886  5.1171  170.815    44.564   94.180     68.856   226.054    58.459   27.498  8.9761  42.339  5.8465  -14.84070      10.71224 
1 1 1 -20 -9  2  o 25.915  4.7657  85.081     28.862   41.155     48.453   109.239    35.933   20.209  7.4682  29.349  5.2380  -9.140438      9.122005 
1 1 1 -20 -9  3  o 84.100  3.6299  864.325    74.072   840.382    115.600  881.003    96.481   82.265  5.8291  84.570  4.7206  -2.304939      7.500775 
1 1 1 -20 -9  4  o ?       ?       -127.2571  9.8963   -159.8714  14.071   -95.3298   13.922   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 -9  5  o 43.627  6.4228  240.285    65.955   632.059    115.923  52.761     80.201   71.072  6.8053  24.544  9.4841  46.52776       11.67311 
1 1 1 -20 -9  6  o 117.316 5.7643  1695.61    164.084  1615.43    264.657  1745.68    209.128  112.537 9.7898  118.274 7.3232  -5.737549      12.22577 
1 1 1 -20 -9  7  o 159.763 5.1349  3133.07    199.054  2984.88    387.263  3186.28    232.055  152.824 10.507  160.795 5.9478  -7.971100      12.07406 
1 1 1 -20 -9  8  o 77.099  3.5641  725.102    66.674   720.477    95.276   729.541    93.337   76.456  5.1661  76.970  5.0253  -0.5137482     7.207090 
1 1 1 -20 -9  9  o 147.323 4.5766  2656.17    163.599  2480.44    269.405  2758.83    205.914  140.953 7.9091  149.798 5.6652  -8.844360      9.728721 
1 1 1 -20 -9  10 o 50.009  4.5771  308.492    54.923   244.176    75.910   379.152    79.566   43.812  7.4045  55.180  6.0414  -11.36776      9.556406 
1 1 1 -20 -9  11 o 72.480  4.0355  643.442    70.690   635.020    100.805  651.591    99.156   71.630  5.8511  72.607  5.6734  -0.9769135     8.149982 
1 1 1 -20 -9  12 o 54.674  4.6767  368.393    61.445   300.334    87.392   434.928    86.408   48.647  7.6567  59.139  6.1097  -10.49179      9.795609 
1 1 1 -20 -9  13 o 87.493  4.0437  934.665    85.845   1030.07    122.450  842.453    120.382  91.433  5.5456  82.529  6.0539  8.904419       8.209936 
1 1 1 -20 -9  14 o 65.594  4.4646  528.421    70.634   607.328    100.984  452.838    98.834   70.017  6.0021  60.169  6.8941  9.847198       9.140783 
1 1 1 -20 -9  15 o 70.198  4.3459  604.496    73.659   561.756    104.822  646.189    103.529  67.195  6.5108  72.248  5.9589  -5.052979      8.826071 
1 1 1 -20 -9  16 o 88.369  6.1129  965.643    130.268  965.643    130.268  0.0000     0.0000   88.369  6.1129  ?       ?       0.000000       6.112912 
1 1 1 -20 -9  17 o 56.994  7.9120  410.899    106.465  410.899    106.465  0.0000     0.0000   56.994  7.9120  ?       ?       0.000000       7.912016 
1 1 1 -20 -9  18 o 64.583  7.6185  524.398    117.087  524.398    117.087  0.0000     0.0000   64.583  7.6185  ?       ?       0.000000       7.618488 
1 1 1 -20 -9  19 o 57.255  6.5850  409.765    89.815   404.103    109.718  421.266    156.374  56.387  8.2645  56.414  11.803  -0.2665710E-01 14.40884 
1 1 1 -20 -9  20 o 143.755 4.2929  2526.48    149.740  2706.47    215.798  2359.34    207.949  148.248 5.9992  138.347 6.1948  9.901031       8.623554 
1 1 1 -20 -9  21 o 73.775  3.9126  666.514    69.789   678.909    103.597  656.215    94.431   74.050  5.8125  72.901  5.3764  1.149139       7.917757 
1 1 1 -20 -9  22 o 154.358 4.4698  2916.52    167.412  3245.81    240.280  2605.86    233.383  162.218 6.1046  145.137 6.6272  17.08139       9.010277 
1 1 1 -20 -9  23 o 117.658 4.1971  1693.33    119.822  1783.57    177.093  1617.15    162.725  120.061 6.0991  114.386 5.8829  5.674469       8.473894 
1 1 1 -20 -9  24 o 64.449  4.6297  511.787    71.917   627.553    107.735  418.739    96.587   70.960  6.3235  57.650  7.0520  13.31025       9.471877 
1 1 1 -20 -9  25 o ?       ?       -276.5067  74.071   -775.9755  168.245  -156.4228  82.496   ?       ?       14.340  7.0244  0.000000       7.024377 
1 1 1 -20 -9  26 o 89.756  6.7373  1007.15    145.657  1182.54    267.449  933.200    173.673  94.501  11.930  85.649  8.4678  8.852104       14.62936 
1 1 1 -20 -9  27 o 15.136  7.2598  -104.8464  76.826   -259.6793  178.958  -69.8642   85.063   22.256  10.775  17.650  8.2086  4.605568       13.54544 
1 1 1 -20 -9  28 o 41.474  6.3286  218.471    61.669   306.679    99.701   163.810    78.484   48.447  8.8058  35.177  9.1194  13.26979       12.67692 
1 1 1 -20 -9  29 o 45.011  7.7042  262.019    81.116   0.0000     0.0000   262.019    81.116   ?       ?       45.011  7.7042  0.000000       7.704171 
1 1 1 -20 -9  30 o 33.300  8.8598  147.302    72.840   0.0000     0.0000   147.302    72.840   ?       ?       33.300  8.8598  0.000000       8.859807 
1 1 1 -20 -9  31 o 97.864  5.2819  1190.91    124.959  1528.26    295.029  1117.16    137.943  106.236 11.636  94.418  6.0531  11.81869       13.11591 
1 1 1 -20 -9  32 o 86.449  4.1840  920.294    87.763   952.441    127.727  891.543    120.793  87.038  6.0862  84.265  5.9461  2.773720       8.508701 
1 1 1 -20 -9  33 o 51.941  4.5395  335.925    56.636   331.562    77.198   341.011    83.345   50.976  6.3812  51.526  6.8350  -0.5505676     9.350786 
1 1 1 -20 -9  34 o 54.255  4.4952  366.615    58.644   347.493    78.645   390.564    88.013   52.150  6.3460  55.168  6.7134  -3.017963      9.238084 
1 1 1 -20 -9  35 o 53.732  4.5973  360.557    59.361   359.926    80.681   361.302    87.649   52.992  6.4047  52.822  7.0119  0.1696510      9.496702 
1 1 1 -20 -9  36 o 112.674 4.1253  1569.94    112.783  1484.84    159.801  1654.40    159.198  108.213 6.1111  114.668 5.7218  -6.455170      8.371641 
1 1 1 -20 -9  37 o 97.076  4.0841  1166.19    96.200   1058.98    135.299  1275.80    136.808  91.202  6.1499  100.511 5.6323  -9.309822      8.339323 
1 1 1 -20 -9  38 o 66.685  5.2444  561.266    84.173   580.023    103.399  524.416    144.927  67.160  6.4235  61.427  10.073  5.732670       11.94668 
1 1 1 -20 -9  39 o 50.123  5.6423  320.984    67.428   374.448    81.200   202.239    121.014  53.843  6.3366  37.097  11.882  16.74596       13.46587 
1 1 1 -20 -9  40 f 80.270  4.2237  802.671    81.976   734.734    113.428  876.954    118.607  75.634  6.2363  82.878  5.9374  -7.243866      8.610718 
1 1 1 -20 -9  41 f 62.702  4.8039  494.935    72.531   438.788    99.939   557.422    105.431  57.674  7.3052  65.462  6.7337  -7.787727      9.935236 
1 1 1 -20 -9  42 o 55.355  5.1136  388.720    67.906   453.512    96.195   324.360    95.873   58.845  6.8663  48.774  8.4045  10.07114       10.85270 
1 1 1 -20 -9  43 o 80.540  4.3208  811.422    84.131   827.973    118.927  794.842    119.032  80.133  6.1638  78.395  6.3111  1.738129       8.821738 
1 1 1 -20 -9  44 o 34.752  9.3652  173.028    80.754   275.042    181.101  147.711    90.220   40.458  14.514  31.989  10.261  8.468998       17.77423 
1 1 1 -20 -9  45 f 71.708  6.7774  677.370    116.524  965.173    231.579  579.802    134.836  78.995  12.498  64.589  8.8353  14.40553       15.30543 
1 1 1 -20 -9  46 o 40.791  5.9565  218.583    57.217   193.913    80.291   244.037    81.557   36.646  9.0770  41.722  8.3477  -5.075584      12.33190 
1 1 1 -20 -9  47 o 32.091  7.0381  141.482    53.294   238.428    75.384   44.610     75.355   41.438  7.7834  22.021  8.9672  19.41611       11.87395 
1 1 1 -20 -9  48 o 32.022  6.8220  140.785    51.383   162.490    74.543   121.135    70.925   33.199  9.0193  28.801  9.0828  4.398390       12.80017 
1 1 1 -20 -9  49 o 43.358  5.5081  246.859    56.640   244.183    81.183   249.398    79.061   41.165  8.4119  41.871  8.0744  -0.7063522     11.66003 
1 1 1 -20 -9  50 o 18.808  7.6601  30.743     55.003   43.543     77.128   17.497     78.460   21.675  8.9749  20.051  8.7005  1.623276       12.49986 
1 1 1 -20 -9  51 f 25.932  8.0312  97.680     55.730   0.1664     75.292   215.841    82.881   18.612  8.2821  37.675  9.1562  -19.06271      12.34618 
1 1 1 -20 -9  52 o 25.210  7.9991  92.378     54.946   204.305    73.996   -45.1920   82.035   37.113  8.4115  17.044  7.9712  20.06828       11.58852 
1 1 1 -20 -9  53 o 19.031  7.9220  29.379     60.553   15.631     69.167   74.489     125.292  18.845  8.1731  25.667  11.066  -6.821230      13.75676 
1 1 1 -20 -9  54 o 14.363  6.6668  -32.2189   55.680   2.2604     62.996   -155.3330  119.038  17.329  7.6497  17.225  8.4379  0.1040649      11.38933 
1 1 1 -20 -9  55 o 33.334  7.3350  158.981    57.717   223.600    77.748   79.650     86.145   38.754  8.5018  24.511  9.7222  14.24355       12.91515 
1 1 1 -20 -9  56 o 20.063  7.7465  47.239     53.471   78.414     70.913   6.1538     81.407   23.885  8.9935  19.422  8.6285  4.463133       12.46331 
1 1 1 -20 -9  57 o 23.737  10.091  59.213     101.535  0.0000     0.0000   59.213     101.535  ?       ?       23.737  10.091  0.000000       10.09086 
1 1 1 -20 -9  58 o 25.169  10.716  78.809     114.817  0.0000     0.0000   78.809     114.817  ?       ?       25.169  10.716  0.000000       10.71592 
1 1 1 -20 -9  59 o 24.985  10.834  78.111     121.484  210.661    356.667  60.715     129.210  30.812  14.986  24.437  10.863  6.374630       18.50906 
1 1 1 -20 -8  1  o 44.905  3.9532  248.714    42.634   143.208    80.664   289.613    50.222   33.066  9.5312  48.411  4.3209  -15.34439      10.46494 
1 1 1 -20 -8  2  o 137.313 4.1103  2308.43    136.946  2081.23    208.303  2481.39    181.743  129.271 6.6636  141.948 5.2767  -12.67720      8.499881 
1 1 1 -20 -8  3  o 28.820  5.3529  105.391    36.055   6.5462     65.987   147.462    43.049   19.320  8.1702  34.222  5.3604  -14.90166      9.771682 
1 1 1 -20 -8  4  o 127.961 3.7927  2000.20    117.759  1720.23    169.176  2263.35    164.015  118.093 5.9041  135.782 4.9783  -17.68906      7.722761 
1 1 1 -20 -8  5  o 128.248 6.0305  2028.38    187.658  1610.13    298.874  2300.57    241.110  111.615 11.186  135.870 7.3408  -24.25499      13.37989 
1 1 1 -20 -8  6  o 61.454  5.8649  469.032    86.391   432.715    149.123  487.378    105.989  57.356  11.117  62.318  7.1381  -4.961750      13.21099 
1 1 1 -20 -8  7  o 21.698  5.5697  60.040     29.472   61.807     37.621   57.233     47.418   22.189  6.5420  22.141  7.4561  0.4854393E-01  9.919221 
1 1 1 -20 -8  8  o 82.280  3.6627  825.792    73.123   739.099    102.901  914.227    103.929  77.388  5.5161  86.235  4.9883  -8.846901      7.437089 
1 1 1 -20 -8  9  f 102.101 3.7675  1271.79    93.334   1191.56    133.398  1348.73    130.634  98.340  5.6138  104.894 5.1327  -6.554199      7.606516 
1 1 1 -20 -8  10 o 16.965  7.0562  8.8606     47.981   58.505     76.367   -23.5191   61.675   24.792  9.3333  16.730  7.4664  8.061411       11.95229 
1 1 1 -20 -8  11 o 44.245  5.3999  243.576    56.769   274.545    81.908   214.947    78.753   46.522  7.5120  40.881  8.2241  5.640663       11.13851 
1 1 1 -20 -8  12 o 164.952 4.5209  3326.47    180.944  3451.15    259.760  3208.95    252.195  167.375 6.3961  161.378 6.4406  5.997101       9.076999 
1 1 1 -20 -8  13 o 74.655  4.1104  682.473    74.170   741.052    105.900  626.071    103.913  77.490  5.6717  71.096  6.0822  6.393456       8.316367 
1 1 1 -20 -8  14 f 17.272  6.9248  18.122     44.167   80.417     63.431   -40.5067   61.536   25.975  8.6219  15.720  7.1915  10.25437       11.22745 
1 1 1 -20 -8  15 o 67.244  6.0900  560.554    98.288   560.554    98.288   0.0000     0.0000   67.244  6.0900  ?       ?       0.000000       6.090020 
1 1 1 -20 -8  16 o 167.215 6.7024  3449.73    271.940  3449.73    271.940  0.0000     0.0000   167.215 6.7024  ?       ?       0.000000       6.702448 
1 1 1 -20 -8  17 o 47.364  9.4495  290.507    104.791  290.507    104.791  0.0000     0.0000   47.364  9.4495  ?       ?       0.000000       9.449529 
1 1 1 -20 -8  18 o 18.012  7.8893  -13.1946   65.818   -20.9146   79.591   3.5044     117.059  19.468  8.5960  25.145  10.766  -5.676382      13.77637 
1 1 1 -20 -8  19 o 105.332 5.6233  1366.59    143.200  1637.05    191.647  1024.71    215.469  114.888 6.9070  89.625  10.083  25.26254       12.22200 
1 1 1 -20 -8  20 o 80.936  4.0095  799.912    78.740   944.823    117.097  680.308    106.382  87.536  5.5417  74.121  5.9657  13.41522       8.142449 
1 1 1 -20 -8  21 o 29.868  6.3566  114.101    44.653   119.021    72.498   111.094    56.680   30.554  9.0997  29.371  7.8160  1.183346       11.99565 
1 1 1 -20 -8  22 o 71.660  4.0186  629.315    69.593   743.465    103.900  536.429    93.724   77.572  5.5569  65.736  5.9402  11.83530       8.134192 
1 1 1 -20 -8  23 o 141.708 4.3739  2457.53    150.393  2634.69    220.387  2303.12    205.742  146.084 6.2176  136.587 6.2080  9.497528       8.786197 
1 1 1 -20 -8  24 o 122.859 4.1942  1846.78    125.031  2236.95    185.194  1519.99    169.488  134.749 5.6642  110.694 6.3366  24.05488       8.499169 
1 1 1 -20 -8  25 o 16.053  6.7946  3.2836     45.702   -696.9525  191.484  45.582     47.062   17.107  8.6872  20.624  7.3986  -3.516613      11.41077 
1 1 1 -20 -8  26 o 149.755 6.3766  2781.12    231.706  3504.34    384.712  2369.44    290.256  165.594 9.6161  136.648 8.8010  28.94684       13.03561 
1 1 1 -20 -8  27 o 49.026  8.4093  311.072    96.433   0.0000     0.0000   311.072    96.433   ?       ?       49.026  8.4093  0.000000       8.409319 
1 1 1 -20 -8  28 o 47.152  6.3171  280.982    70.457   0.0000     0.0000   280.982    70.457   ?       ?       47.152  6.3171  0.000000       6.317137 
1 1 1 -20 -8  29 o 81.045  5.5205  816.821    107.913  0.0000     0.0000   816.821    107.913  ?       ?       81.045  5.5205  0.000000       5.520544 
1 1 1 -20 -8  30 o 100.093 5.0572  1241.17    122.424  1483.17    294.672  1190.69    134.589  104.915 11.779  97.758  5.6987  7.156540       13.08508 
1 1 1 -20 -8  31 o 76.326  4.1699  718.538    76.933   848.170    113.677  608.987    104.502  82.369  5.7233  69.524  6.2620  12.84527       8.483421 
1 1 1 -20 -8  32 o 20.919  6.5628  54.819     37.079   19.221     49.407   100.722    56.104   17.915  7.2740  27.700  7.9386  -9.784241      10.76723 
1 1 1 -20 -8  33 o 13.318  5.7331  -1.3922    33.526   -59.7557   43.055   88.504     53.435   11.308  5.4266  26.065  7.8235  -14.75691      9.521333 
1 1 1 -20 -8  34 o 57.419  4.2131  409.088    58.288   443.296    82.150   374.408    82.715   59.216  5.7917  54.124  6.4239  5.091938       8.649241 
1 1 1 -20 -8  35 o 88.471  3.9097  965.030    83.927   1018.06    119.485  913.388    117.913  90.018  5.4967  85.114  5.7430  4.903427       7.949642 
1 1 1 -20 -8  36 o 65.358  4.0437  529.748    63.813   619.883    90.249   439.630    90.241   70.171  5.3406  58.524  6.4627  11.64767       8.383818 
1 1 1 -20 -8  37 o 11.767  5.4477  -28.3687   36.825   -7.3897    41.788   -101.2712  77.899   14.260  6.2650  15.147  7.2771  -0.8870668     9.602387 
1 1 1 -20 -8  38 o 13.014  5.8638  -16.7763   39.053   -26.8476   44.398   17.660     82.096   13.312  6.0968  21.398  9.0845  -8.085532      10.94067 
1 1 1 -20 -8  39 o 21.119  7.5054  52.573     48.323   74.044     56.810   -3.6171    91.902   24.127  8.1609  21.109  9.2821  3.018257       12.35954 
1 1 1 -20 -8  40 o 58.671  4.1840  429.498    59.173   466.763    82.603   390.219    84.807   60.482  5.6957  54.854  6.4981  5.628654       8.640978 
1 1 1 -20 -8  41 o 42.463  5.7718  232.443    57.928   140.368    84.238   315.043    79.787   31.623  9.8872  48.973  6.9062  -17.35073      12.06030 
1 1 1 -20 -8  42 o 34.983  6.6213  162.188    54.146   202.258    76.815   122.617    76.335   38.256  8.4963  29.735  9.4277  8.521547       12.69126 
1 1 1 -20 -8  43 o 21.769  8.6731  43.296     68.839   -151.4209  165.944  83.769     75.655   22.343  10.704  25.800  9.3636  -3.456497      14.22178 
1 1 1 -20 -8  44 o 16.011  7.3165  -30.5123   63.464   -56.6165   160.238  -25.6556   69.116   24.414  11.324  17.042  7.7285  7.372288       13.71018 
1 1 1 -20 -8  45 o 22.260  8.6543  52.604     67.095   48.837     173.210  53.269     72.776   28.659  12.666  22.741  8.9627  5.917463       15.51635 
1 1 1 -20 -8  46 o 37.117  6.2975  183.299    54.689   236.091    78.879   134.431    75.891   41.093  8.1984  30.459  9.3619  10.63420       12.44417 
1 1 1 -20 -8  47 o 39.503  5.8963  205.919    54.786   230.482    78.064   182.080    76.906   40.399  8.2429  35.363  8.9540  5.036129       12.17043 
1 1 1 -20 -8  48 o 19.679  7.4003  44.316     47.984   68.674     68.439   20.766     67.295   23.432  8.8327  19.411  8.2320  4.020981       12.07400 
1 1 1 -20 -8  49 o 49.109  5.3719  314.954    62.967   367.542    91.218   267.087    87.028   51.449  7.5299  42.869  8.6646  8.579308       11.47933 
1 1 1 -20 -8  50 o 36.851  6.8963  188.059    59.396   177.144    80.265   201.271    88.309   34.001  9.4098  35.943  9.8385  -1.942005      13.61398 
1 1 1 -20 -8  51 o 14.153  6.5072  -25.3269   51.256   16.103     70.531   -71.6930   74.615   19.107  8.2700  15.183  7.2476  3.924677       10.99635 
1 1 1 -20 -8  52 o 25.071  8.5746  91.476     62.721   59.344     71.366   200.518    131.469  22.292  8.8467  33.308  12.303  -11.01632      15.15373 
1 1 1 -20 -8  53 o 20.001  8.1380  39.630     62.003   42.761     70.741   29.252     128.787  20.905  8.6202  23.789  10.690  -2.884033      13.73273 
1 1 1 -20 -8  54 o 25.791  8.1924  97.789     57.621   148.097    79.394   41.796     83.760   30.640  9.6017  21.744  9.2006  8.895998       13.29824 
1 1 1 -20 -8  55 o 20.771  7.9109  52.889     55.260   62.916     71.259   37.764     87.523   22.577  8.8780  21.776  9.3156  0.8010006      12.86857 
1 1 1 -20 -8  56 o 38.880  9.9582  240.624    94.359   201.561    350.734  243.672    97.971   32.664  15.626  38.835  10.248  -6.171101      18.68654 
1 1 1 -20 -8  57 o 27.792  11.700  114.154    134.356  0.0000     0.0000   114.154    134.356  ?       ?       27.792  11.700  0.000000       11.70019 
1 1 1 -20 -8  58 o 21.468  9.8219  1.1541     114.828  0.0000     0.0000   1.1541     114.828  ?       ?       21.468  9.8219  0.000000       9.821926 
1 1 1 -20 -7  1  o 82.998  3.5959  841.530    72.416   723.374    112.410  925.352    94.680   76.222  6.1298  86.749  4.5137  -10.52622      7.612392 
1 1 1 -20 -7  2  o 6.8932  3.3566  -32.4214   18.040   -427.2572  83.431   -13.0568   18.477   ?       ?       8.5774  3.9301  0.000000       3.930054 
1 1 1 -20 -7  3  o 63.540  3.3624  493.771    51.655   382.016    73.441   603.180    72.667   55.452  5.5322  70.078  4.2943  -14.62637      7.003248 
1 1 1 -20 -7  4  o 77.621  5.9185  746.447    110.629  538.502    178.177  876.906    141.128  63.759  11.956  83.835  7.0019  -20.07570      13.85577 
1 1 1 -20 -7  5  o 75.796  5.9619  711.677    108.762  533.367    178.902  816.218    136.984  63.489  12.054  80.886  7.0501  -17.39746      13.96447 
1 1 1 -20 -7  6  o 67.594  4.6167  561.661    75.267   625.213    159.372  543.418    85.390   69.889  9.6560  66.333  5.3509  3.556580       11.03946 
1 1 1 -20 -7  7  o 40.192  4.3336  199.667    41.593   181.132    55.388   223.635    62.984   37.873  6.2450  42.152  6.3556  -4.278980      8.910273 
1 1 1 -20 -7  8  o 71.602  3.7546  627.043    65.003   566.128    90.541   691.838    93.380   67.690  5.5618  74.959  5.1656  -7.269760      7.590618 
1 1 1 -20 -7  9  o 58.354  4.3442  418.298    61.069   416.231    87.359   420.274    85.402   57.810  6.3314  58.135  6.1476  -0.3251686     8.824965 
1 1 1 -20 -7  10 o 71.654  4.0804  628.732    70.649   645.253    101.848  613.410    98.085   72.243  5.8608  70.442  5.7898  1.800369       8.238373 
1 1 1 -20 -7  11 f 90.550  4.0044  1000.58    87.981   992.853    126.385  1007.84    122.552  89.724  5.8370  90.457  5.6112  -0.7331085     8.096736 
1 1 1 -20 -7  12 o 89.202  4.0284  971.018    87.190   1060.48    125.858  888.460    120.902  92.801  5.6158  84.842  5.9098  7.958481       8.152519 
1 1 1 -20 -7  13 o 45.092  5.2541  252.399    56.408   294.144    82.241   215.315    77.514   48.281  7.2437  40.973  8.0839  7.307701       10.85453 
1 1 1 -20 -7  14 o 49.177  7.3197  305.192    84.679   305.192    84.679   0.0000     0.0000   49.177  7.3197  ?       ?       0.000000       7.319679 
1 1 1 -20 -7  15 o 82.481  6.0642  840.679    120.513  840.679    120.513  0.0000     0.0000   82.481  6.0642  ?       ?       0.000000       6.064202 
1 1 1 -20 -7  16 f 91.206  6.0717  1027.15    133.600  1027.15    133.600  0.0000     0.0000   91.206  6.0717  ?       ?       0.000000       6.071666 
1 1 1 -20 -7  17 o 82.132  6.0956  834.001    120.609  810.104    156.747  868.682    188.833  80.351  8.1527  82.728  9.5848  -2.377213      12.58315 
1 1 1 -20 -7  18 o 57.018  6.5610  405.808    89.116   419.629    130.056  393.576    122.354  57.087  9.7387  55.335  9.4523  1.751865       13.57159 
1 1 1 -20 -7  19 o 69.186  6.1998  593.811    102.974  776.925    143.357  398.620    148.009  78.815  7.5901  55.034  11.457  23.78142       13.74267 
1 1 1 -20 -7  20 o 39.587  5.3644  195.671    50.200   99.523     83.894   249.298    62.655   29.066  9.9169  44.647  5.9304  -15.58072      11.55487 
1 1 1 -20 -7  21 o 63.097  4.3161  488.913    65.683   531.930    104.862  461.139    84.261   65.291  6.7149  60.979  5.7632  4.312057       8.848959 
1 1 1 -20 -7  22 o 84.342  4.3155  872.101    88.021   1034.82    142.210  771.051    112.068  91.331  6.4589  78.928  5.8943  12.40226       8.744117 
1 1 1 -20 -7  23 o 76.704  4.3813  722.195    81.205   878.251    132.089  627.380    102.960  84.046  6.5284  71.094  6.0252  12.95232       8.883880 
1 1 1 -20 -7  24 o 55.038  5.1082  375.119    67.441   638.251    115.099  237.549    83.223   71.477  6.7153  42.885  8.2979  28.59147       10.67471 
1 1 1 -20 -7  25 o 11.083  5.4696  -115.3359  53.127   -302.8092  178.627  -97.1434   55.645   21.458  10.474  12.131  5.9044  9.327701       12.02352 
1 1 1 -20 -7  26 o 90.351  6.3048  1016.18    137.353  1463.36    273.061  864.711    158.922  106.126 10.753  82.653  8.0255  23.47307       13.41743 
1 1 1 -20 -7  27 o 122.109 7.7191  1878.05    227.529  0.0000     0.0000   1878.05    227.529  ?       ?       122.109 7.7191  0.000000       7.719113 
1 1 1 -20 -7  28 o 71.067  5.6775  628.802    97.084   0.0000     0.0000   628.802    97.084   ?       ?       71.067  5.6775  0.000000       5.677475 
1 1 1 -20 -7  29 o 59.725  5.5513  445.307    79.527   483.275    225.042  439.889    85.013   57.427  15.700  59.218  5.9993  -1.790981      16.80745 
1 1 1 -20 -7  30 o 73.896  4.4820  674.573    79.984   833.933    129.135  575.386    101.878  81.382  6.5964  67.634  6.2797  13.74818       9.107528 
1 1 1 -20 -7  31 o 50.883  4.4580  321.365    54.485   349.143    77.075   293.617    77.031   52.535  6.1636  47.896  6.8210  4.639114       9.193243 
1 1 1 -20 -7  32 o 52.681  4.2769  344.115    54.197   331.195    75.390   357.934    77.968   51.073  6.2115  53.138  6.1614  -2.065353      8.749021 
1 1 1 -20 -7  33 o 42.686  4.7887  228.373    48.743   208.151    66.992   251.120    71.051   39.952  7.1744  44.091  6.8648  -4.139400      9.929622 
1 1 1 -20 -7  34 o 41.349  4.9926  215.403    49.077   188.735    68.483   243.558    70.366   37.732  7.7397  43.320  6.9278  -5.587749      10.38740 
1 1 1 -20 -7  35 o 61.503  4.1331  469.261    61.321   451.656    87.212   486.475    86.237   59.559  6.1219  61.977  5.8021  -2.417828      8.434593 
1 1 1 -20 -7  36 o 91.724  3.9392  1038.74    87.671   1032.86    124.054  1044.61    123.918  90.463  5.6805  91.003  5.6398  -0.5399246     8.004699 
1 1 1 -20 -7  37 o 68.942  5.3102  599.343    88.146   595.352    108.037  607.288    152.444  68.003  6.6320  66.608  9.7186  1.395638       11.76578 
1 1 1 -20 -7  38 o 45.891  6.1177  271.519    66.424   279.967    80.006   252.777    119.167  46.005  7.4197  41.552  11.452  4.452648       13.64536 
1 1 1 -20 -7  39 o 52.752  5.5222  354.409    69.635   312.668    84.816   440.736    121.974  48.605  7.4275  56.736  9.1732  -8.131931      11.80321 
1 1 1 -20 -7  40 o 30.806  7.1135  127.333    52.097   173.649    76.357   86.996     71.258   35.337  8.9080  26.103  9.1285  9.234362       12.75470 
1 1 1 -20 -7  41 o 47.129  5.2883  283.035    59.430   308.934    85.963   259.324    82.253   48.103  7.6190  43.773  8.0406  4.330166       11.07700 
1 1 1 -20 -7  42 o 49.582  5.1496  312.677    61.049   278.999    87.430   344.720    85.282   45.230  8.2715  51.102  7.0670  -5.872444      10.87935 
1 1 1 -20 -7  43 o 38.103  9.0097  204.553    81.987   274.638    171.080  183.658    93.412   40.901  14.153  35.506  10.263  5.394825       17.48284 
1 1 1 -20 -7  44 o 41.886  8.8322  246.385    86.937   191.893    192.077  260.424    97.495   35.797  14.409  42.546  9.6642  -6.749146      17.35008 
1 1 1 -20 -7  45 o 48.194  5.3229  298.765    61.206   319.427    85.862   277.419    87.273   48.553  7.5322  44.661  8.3609  3.892776       11.25338 
1 1 1 -20 -7  46 o 62.612  4.7909  498.742    72.232   550.317    104.140  450.926    100.272  64.356  6.7706  57.796  7.3140  6.560501       9.966704 
1 1 1 -20 -7  47 o 51.150  5.1637  337.417    63.210   396.203    90.197   280.682    88.610   54.176  7.0270  44.443  8.5272  9.733498       11.04953 
1 1 1 -20 -7  48 o 20.194  7.5623  47.731     50.007   68.388     75.320   31.448     66.872   23.736  9.1857  20.144  8.3503  3.591839       12.41387 
1 1 1 -20 -7  49 o 61.021  4.8100  478.612    70.641   489.789    99.989   467.474    99.814   59.924  7.0093  58.358  7.2018  1.565716       10.04972 
1 1 1 -20 -7  50 o 21.888  8.0115  62.113     55.553   57.470     73.510   68.295     84.825   22.444  8.9561  23.892  9.5903  -1.448063      13.12188 
1 1 1 -20 -7  51 o 29.422  8.2572  128.208    61.355   69.028     84.455   194.349    89.285   23.788  9.5621  34.924  10.016  -11.13527      13.84774 
1 1 1 -20 -7  52 o 25.354  8.9031  93.865     67.815   147.469    76.237   -109.3261  148.430  30.772  9.3694  20.651  9.9515  10.12089       13.66816 
1 1 1 -20 -7  53 o 22.046  8.4972  61.094     64.251   84.050     73.121   -16.6790   134.589  24.481  9.1491  22.409  10.389  2.071867       13.84305 
1 1 1 -20 -7  54 f 16.019  7.0267  1.4032     52.386   12.055     66.111   -16.5699   85.876   18.335  7.9712  18.702  8.5325  -0.3668060     11.67663 
1 1 1 -20 -7  55 f 26.204  8.3221  101.182    59.463   56.949     75.155   175.214    97.231   22.326  9.0041  32.546  10.668  -10.21969      13.96034 
1 1 1 -20 -7  56 o 28.507  11.573  126.296    125.051  0.0000     0.0000   126.296    125.051  ?       ?       28.507  11.573  0.000000       11.57311 
1 1 1 -20 -7  57 o 48.693  11.554  406.468    134.451  755.513    341.448  342.417    146.268  45.739  18.907  42.221  13.000  3.518517       22.94501 
1 1 1 -20 -7  58 o 22.100  9.8725  26.868     108.109  127.673    289.176  10.491     116.561  29.670  14.192  21.887  9.9680  7.783682       17.34306 
1 1 1 -20 -6  1  o 3.9936  1.9667  -14.4823   6.7462   -9.4555    7.1731   -52.9776   19.850   4.7394  2.2582  6.3377  3.1635  -1.598333      3.886801 
1 1 1 -20 -6  2  o 57.920  3.4658  410.720    48.484   378.433    69.389   441.522    67.774   55.259  5.2376  59.838  4.7058  -4.579155      7.041151 
1 1 1 -20 -6  3  o 61.481  4.0500  463.845    60.079   411.978    75.052   556.367    100.240  57.655  5.4288  66.870  6.2504  -9.215031      8.278864 
1 1 1 -20 -6  4  o 29.962  8.0579  115.686    59.855   435.521    84.753   -202.5645  84.542   59.185  5.9839  13.490  6.6999  45.69503       8.983082 
1 1 1 -20 -6  5  o 81.454  5.9443  820.490    116.672  712.054    186.205  890.579    149.703  74.298  10.632  84.459  7.3791  -10.16084      12.94169 
1 1 1 -20 -6  6  o 129.070 3.9717  2033.43    124.383  1928.35    177.765  2134.23    174.101  125.246 5.8495  131.879 5.4408  -6.632904      7.988658 
1 1 1 -20 -6  7  o 210.241 5.0757  5414.59    258.925  5266.48    369.405  5557.64    363.029  206.243 7.3818  212.052 7.0556  -5.808868      10.21137 
1 1 1 -20 -6  8  o 106.354 3.8121  1379.62    98.375   1279.00    139.897  1478.04    138.361  101.920 5.6796  109.833 5.1918  -7.913185      7.694965 
1 1 1 -20 -6  9  o 128.553 4.0955  2017.08    127.748  1955.20    182.337  2076.75    179.034  126.142 5.9573  130.081 5.6723  -3.938789      8.225837 
1 1 1 -20 -6  10 o 156.611 4.8740  3000.82    185.214  2861.76    305.992  3081.22    232.679  151.497 8.3565  158.334 6.0565  -6.836319      10.32044 
1 1 1 -20 -6  11 o 189.905 4.8625  4411.82    224.059  4482.78    320.341  4343.86    313.503  190.617 6.9261  187.658 6.8851  2.958405       9.766029 
1 1 1 -20 -6  12 o 112.088 4.1817  1533.59    113.729  1606.06    165.561  1468.83    156.497  114.187 5.9965  109.206 5.9283  4.981812       8.432212 
1 1 1 -20 -6  13 f 40.538  9.5957  213.674    92.920   213.674    92.920   0.0000     0.0000   40.538  9.5957  ?       ?       0.000000       9.595710 
1 1 1 -20 -6  14 o 115.717 6.2119  1651.05    173.776  1651.05    173.776  0.0000     0.0000   115.717 6.2119  ?       ?       0.000000       6.211867 
1 1 1 -20 -6  15 o 192.432 7.2915  4576.91    340.457  4576.91    340.457  0.0000     0.0000   192.432 7.2915  ?       ?       0.000000       7.291549 
1 1 1 -20 -6  16 o 164.365 6.4931  3326.90    258.956  3472.44    345.815  3141.10    390.720  166.803 8.5733  157.669 10.269  9.134003       13.37737 
1 1 1 -20 -6  17 o 126.025 5.9477  1951.52    181.873  2178.83    246.747  1681.12    269.120  132.383 7.7151  115.399 9.7012  16.98324       12.39505 
1 1 1 -20 -6  18 o 116.592 5.9721  1675.08    168.384  1945.08    229.075  1357.72    248.354  125.085 7.5834  103.461 10.019  21.62373       12.56501 
1 1 1 -20 -6  19 o 213.504 5.3674  5590.48    278.060  6303.72    397.744  4908.69    388.879  225.708 7.2626  198.721 8.0650  26.98680       10.85313 
1 1 1 -20 -6  20 o 134.442 4.3257  2208.78    141.109  2555.54    206.599  1905.57    193.192  144.161 5.9063  124.173 6.4341  19.98811       8.734002 
1 1 1 -20 -6  21 o 76.915  4.2718  725.182    79.410   726.787    125.998  724.123    102.281  76.385  6.8717  76.592  5.5410  -0.2074738     8.827430 
1 1 1 -20 -6  22 o 88.238  4.3110  951.976    92.299   1182.16    146.898  801.825    118.643  97.729  6.2272  80.442  6.1245  17.28751       8.734265 
1 1 1 -20 -6  23 o 66.187  4.6141  539.000    73.638   623.886    124.150  492.928    91.464   70.515  7.3648  62.955  6.0626  7.559395       9.539098 
1 1 1 -20 -6  24 o 71.985  6.8177  647.721    117.661  2242.34    241.527  151.533    134.729  134.018 7.4569  35.615  12.546  98.40306       14.59437 
1 1 1 -20 -6  25 o 10.544  5.2041  -104.8703  48.124   -323.2757  179.074  -87.8690   49.962   21.108  10.342  11.482  5.5900  9.625580       11.75584 
1 1 1 -20 -6  26 o 68.183  7.7097  588.648    125.308  0.0000     0.0000   588.648    125.308  ?       ?       68.183  7.7097  0.000000       7.709684 
1 1 1 -20 -6  27 o 108.767 5.5983  1464.97    147.246  0.0000     0.0000   1464.97    147.246  ?       ?       108.767 5.5983  0.000000       5.598294 
1 1 1 -20 -6  28 o 75.194  5.7110  703.751    103.420  0.0000     0.0000   703.751    103.420  ?       ?       75.194  5.7110  0.000000       5.711002 
1 1 1 -20 -6  29 o 61.311  4.7031  465.476    69.432   540.386    118.334  426.147    85.743   65.072  7.6400  58.221  6.1632  6.850903       9.816080 
1 1 1 -20 -6  30 o 18.390  6.4767  37.676     35.906   48.993     49.106   24.673     52.636   21.092  7.5585  18.918  7.5683  2.174570       10.69629 
1 1 1 -20 -6  31 o 70.015  4.0402  604.396    68.345   610.065    96.967   598.800    96.346   69.768  5.7800  69.109  5.7992  0.6586227      8.187757 
1 1 1 -20 -6  32 f 64.250  4.1600  510.346    64.505   536.314    91.168   484.315    91.279   65.304  5.8144  61.899  6.1592  3.404469       8.470174 
1 1 1 -20 -6  33 o 57.831  4.2904  414.863    59.774   439.970    84.317   389.496    84.753   58.973  5.9749  55.271  6.4405  3.702347       8.785174 
1 1 1 -20 -6  34 o 115.457 4.0715  1644.22    114.061  1616.95    162.124  1670.95    160.503  113.330 5.9163  115.467 5.7287  -2.137817      8.235327 
1 1 1 -20 -6  35 o 14.530  6.0805  6.6574     35.942   36.823     49.880   -25.9179   51.834   19.622  7.5058  14.715  6.6807  4.906856       10.04830 
1 1 1 -20 -6  36 o 56.128  4.2923  392.401    58.013   362.601    80.523   424.562    83.653   53.120  6.3747  57.674  6.0689  -4.553211      8.801558 
1 1 1 -20 -6  37 o 19.599  7.4126  38.806     48.305   23.429     56.691   79.554     92.286   19.043  7.7687  26.720  10.212  -7.677128      12.83115 
1 1 1 -20 -6  38 o 30.393  7.5587  124.562    55.509   155.398    65.907   49.300     102.965  33.783  8.1371  25.256  10.405  8.527122       13.20930 
1 1 1 -20 -6  39 o 63.063  4.1703  495.498    63.452   459.868    89.259   531.897    90.217   59.780  6.2458  64.565  5.8214  -4.784573      8.538056 
1 1 1 -20 -6  40 o 70.085  4.4607  614.208    75.463   631.045    108.030  598.164    105.457  69.941  6.4380  68.067  6.4627  1.874680       9.122176 
1 1 1 -20 -6  41 o 108.030 4.2717  1452.16    111.972  1488.07    160.702  1418.26    156.102  107.757 6.1720  105.219 6.1410  2.537346       8.706627 
1 1 1 -20 -6  42 o 54.518  6.4239  386.644    83.345   1289.98    201.997  201.302    91.497   97.670  8.6117  37.423  9.9170  60.24692       13.13425 
1 1 1 -20 -6  43 f 33.077  9.4748  156.183    79.937   199.352    180.733  145.684    89.129   36.335  14.182  31.887  10.195  4.448490       17.46660 
1 1 1 -20 -6  44 o 18.582  7.8273  15.876     60.182   -324.7733  165.541  67.755     64.602   18.720  9.3105  23.575  8.6379  -4.855171      12.70033 
1 1 1 -20 -6  45 o 11.242  5.3721  -50.6762   41.209   -72.2591   62.880   -34.4282   54.558   13.890  6.6367  14.412  6.6576  -0.5224743     9.400553 
1 1 1 -20 -6  46 o 19.706  7.5593  41.297     50.684   17.025     75.240   61.462     68.578   20.116  8.6222  22.987  8.7989  -2.871532      12.31921 
1 1 1 -20 -6  47 o 46.175  5.5249  278.093    60.672   314.028    86.765   243.708    84.873   47.585  7.7838  41.115  8.7749  6.470161       11.72971 
1 1 1 -20 -6  48 o 25.025  7.3478  87.515     47.547   -4.2494    70.736   163.150    64.219   18.109  8.0443  33.807  7.9605  -15.69742      11.31726 
1 1 1 -20 -6  49 o 23.358  8.2321  74.035     58.018   31.926     73.895   141.710    93.679   20.653  8.6849  30.188  10.472  -9.535694      13.60456 
1 1 1 -20 -6  50 o 17.469  7.5182  11.321     57.632   -47.4058   71.628   119.140    97.053   15.842  7.4214  28.078  10.531  -12.23591      12.88345 
1 1 1 -20 -6  51 o 29.272  8.1716  126.606    60.256   134.918    76.890   113.377    97.002   29.518  9.4728  27.468  10.476  2.050175       14.12411 
1 1 1 -20 -6  52 o 26.696  8.9890  106.793    68.920   120.370    78.651   61.883     143.045  27.957  9.6008  25.885  11.472  2.072519       14.95912 
1 1 1 -20 -6  53 o 22.082  8.6065  60.019     66.483   68.118     73.899   25.639     152.262  23.141  9.0587  24.862  11.350  -1.720314      14.52185 
1 1 1 -20 -6  54 o 45.636  6.3007  282.944    67.908   251.015    88.671   328.233    105.607  40.558  9.2193  46.008  9.7624  -5.449844      13.42758 
1 1 1 -20 -6  55 o 59.174  5.3936  460.763    76.590   477.001    102.671  440.389    115.005  58.278  7.4298  54.294  9.0483  3.984104       11.70781 
1 1 1 -20 -6  56 o 24.933  10.785  64.339     119.791  -5.9779    310.104  76.672     129.872  28.720  13.970  25.935  11.223  2.785385       17.91986 
1 1 1 -20 -6  57 o 43.342  11.803  333.266    127.478  -130.4620  332.685  413.071    138.012  27.029  13.402  48.606  11.817  -21.57650      17.86734 
1 1 1 -20 -6  58 o 30.618  11.897  174.507    126.736  612.768    330.408  98.902     137.233  39.842  17.557  26.483  11.499  13.35914       20.98741 
1 1 1 -20 -5  1  o 99.749  3.5422  1214.20    85.733   1177.36    122.033  1250.10    120.472  97.774  5.1622  100.941 4.9188  -3.166451      7.130371 
1 1 1 -20 -5  2  o 54.396  3.6361  362.635    47.714   413.272    66.899   310.205    68.073   57.879  4.8071  49.896  5.7264  7.982998       7.476600 
1 1 1 -20 -5  3  o 59.841  5.8166  444.510    83.388   486.769    155.745  427.527    98.733   61.054  10.914  58.346  7.1218  2.707752       13.03191 
1 1 1 -20 -5  4  o 88.215  6.9088  967.537    146.699  0.0000     0.0000   967.537    146.699  ?       ?       88.215  6.9088  0.000000       6.908820 
1 1 1 -20 -5  5  o 33.191  4.8778  137.662    38.111   98.782     49.703   193.136    59.370   27.752  7.2878  39.090  6.4868  -11.33842      9.756548 
1 1 1 -20 -5  6  o 33.179  5.1557  137.967    40.159   169.241    51.358   88.759     64.423   36.652  5.9814  26.959  8.6730  9.692570       10.53552 
1 1 1 -20 -5  7  o 124.634 3.9859  1895.39    120.539  1782.99    171.244  2005.77    169.702  120.483 5.8577  127.889 5.4688  -7.406273      8.013739 
1 1 1 -20 -5  8  o 198.879 5.0228  4841.60    242.381  4791.80    345.519  4889.84    340.101  196.918 7.2314  199.016 7.0430  -2.097580      10.09440 
1 1 1 -20 -5  9  o 130.060 4.1766  2064.72    131.804  2021.61    188.764  2105.73    184.120  128.265 6.0653  130.979 5.7934  -2.714233      8.387562 
1 1 1 -20 -5  10 o 113.303 4.1765  1566.84    114.819  1519.46    165.100  1611.23    159.787  111.024 6.1527  114.445 5.7728  -3.420219      8.436877 
1 1 1 -20 -5  11 o 89.595  4.5941  983.438    99.537   1159.54    166.757  885.967    124.063  96.666  7.1606  84.712  6.0762  11.95412       9.391147 
1 1 1 -20 -5  12 o 155.443 6.6252  2975.38    249.880  2975.38    249.880  0.0000     0.0000   155.443 6.6252  ?       ?       0.000000       6.625165 
1 1 1 -20 -5  13 o 153.401 6.6442  2897.98    247.306  2897.98    247.306  0.0000     0.0000   153.401 6.6442  ?       ?       0.000000       6.644189 
1 1 1 -20 -5  14 o 95.590  6.2253  1127.85    143.602  1127.85    143.602  0.0000     0.0000   95.590  6.2253  ?       ?       0.000000       6.225320 
1 1 1 -20 -5  15 o 114.422 4.2150  1598.13    117.024  1662.68    169.270  1539.03    161.965  116.190 6.0248  111.784 5.9933  4.406555       8.498058 
1 1 1 -20 -5  16 o 132.387 5.9644  2152.80    191.592  2102.18    251.669  2222.57    295.476  129.947 8.0210  133.100 9.2057  -3.153061      12.20986 
1 1 1 -20 -5  17 o 190.910 7.0967  4501.01    328.736  5209.46    444.768  3647.99    488.047  204.312 8.9717  168.774 11.996  35.53809       14.97966 
1 1 1 -20 -5  18 o 130.756 6.0149  2101.50    190.833  2460.13    254.937  1644.44    287.798  140.786 7.4899  113.720 10.550  27.06628       12.93854 
1 1 1 -20 -5  19 o 22.230  7.1370  59.740     43.642   133.621    75.577   22.779     53.456   32.261  9.2033  19.045  7.6243  13.21564       11.95123 
1 1 1 -20 -5  20 o 33.638  6.3722  143.838    50.106   159.305    84.294   135.387    62.310   35.051  9.6197  32.384  7.9811  2.667484       12.49946 
1 1 1 -20 -5  21 o 90.325  4.0565  996.314    88.906   1102.91    134.580  913.770    118.426  94.516  5.8977  86.047  5.7045  8.468513       8.205147 
1 1 1 -20 -5  22 o 53.119  4.9009  348.595    62.454   476.962    104.753  277.804    77.791   61.665  7.1328  46.878  7.0578  14.78619       10.03439 
1 1 1 -20 -5  23 o 62.128  5.9271  479.627    88.265   573.790    112.073  325.824    143.234  67.732  6.9164  49.340  12.065  18.39187       13.90664 
1 1 1 -20 -5  24 o 100.591 6.3558  1255.57    154.332  1977.83    308.690  1014.87    178.202  124.237 10.334  89.683  8.2827  34.55448       13.24363 
1 1 1 -20 -5  25 o 79.945  7.1603  801.206    137.424  0.0000     0.0000   801.206    137.424  ?       ?       79.945  7.1603  0.000000       7.160298 
1 1 1 -20 -5  26 o 49.024  8.2454  309.563    94.600   0.0000     0.0000   309.563    94.600   ?       ?       49.024  8.2454  0.000000       8.245387 
1 1 1 -20 -5  27 o 98.638  5.5469  1205.16    132.219  0.0000     0.0000   1205.16    132.219  ?       ?       98.638  5.5469  0.000000       5.546920 
1 1 1 -20 -5  28 o 52.441  5.0366  341.950    63.299   320.968    107.653  353.037    78.257   49.399  9.3231  52.968  6.2067  -3.568851      11.20014 
1 1 1 -20 -5  29 o 80.813  3.9396  800.762    77.250   776.394    109.466  824.936    109.031  78.909  5.7570  81.426  5.5516  -2.517136      7.997744 
1 1 1 -20 -5  30 o 47.310  4.5592  278.165    51.689   270.032    71.524   287.056    74.782   46.018  6.5941  47.443  6.6814  -1.424152      9.387354 
1 1 1 -20 -5  31 o 21.004  6.9248  53.685     40.943   11.631     55.727   103.012    60.354   18.141  7.5797  28.073  8.2887  -9.931925      11.23187 
1 1 1 -20 -5  32 o 80.878  3.9738  804.592    77.984   809.020    111.184  800.304    109.409  80.319  5.7430  79.911  5.6796  0.4073105      8.077093 
1 1 1 -20 -5  33 o 86.451  3.9285  919.996    82.406   874.416    116.226  966.071    116.856  83.406  5.7786  87.822  5.5118  -4.415550      7.985761 
1 1 1 -20 -5  34 o 39.110  5.0407  193.248    46.722   240.284    63.765   138.721    68.654   43.257  6.2570  32.051  8.6342  11.20617       10.66300 
1 1 1 -20 -5  35 o 14.827  6.1081  10.293     35.476   -7.0748    50.415   27.327     49.929   15.762  6.9040  18.651  7.4004  -2.889089      10.12084 
1 1 1 -20 -5  36 o 42.891  6.3459  237.840    64.049   233.481    78.462   246.545    110.882  41.760  8.0352  41.553  10.872  0.2070770      13.51920 
1 1 1 -20 -5  37 o 39.079  6.8017  200.410    62.153   189.848    74.355   224.904    113.233  37.340  8.4090  39.398  11.274  -2.057674      14.06466 
1 1 1 -20 -5  38 o 22.438  7.7443  61.876     51.205   88.472     60.216   -7.5793    97.309   25.941  8.3891  21.489  9.4957  4.451769       12.67066 
1 1 1 -20 -5  39 o 74.562  4.3781  693.707    78.860   644.095    112.791  741.152    110.300  70.567  6.6663  76.160  6.0178  -5.593056      8.980754 
1 1 1 -20 -5  40 o 33.694  6.8486  150.969    54.083   134.273    78.596   165.985    74.535   31.065  9.5237  34.556  8.8504  -3.491236      13.00120 
1 1 1 -20 -5  41 o 26.666  7.5974  96.070     51.537   123.967    79.708   76.030     67.558   29.941  9.6487  24.774  8.8668  5.167198       13.10410 
1 1 1 -20 -5  42 o 39.337  8.7906  215.710    81.791   311.246    170.693  187.236    93.186   43.549  14.129  35.947  10.207  7.601967       17.42996 
1 1 1 -20 -5  43 f 34.782  8.8544  170.683    74.921   121.825    182.376  180.602    82.175   32.484  13.651  35.533  9.3898  -3.048397      16.56892 
1 1 1 -20 -5  44 o 36.248  8.5959  185.152    74.456   35.427     186.100  213.685    81.242   28.885  12.924  38.876  8.8156  -9.991236      15.64462 
1 1 1 -20 -5  45 o 39.458  6.0008  204.839    55.642   224.249    82.208   188.430    75.587   39.709  8.7666  36.370  8.6850  3.339588       12.34029 
1 1 1 -20 -5  46 o 18.951  7.2909  37.359     47.235   160.671    72.225   -54.8018   62.439   33.324  8.8015  14.514  6.8398  18.81024       11.14672 
1 1 1 -20 -5  47 o 46.623  5.3635  282.657    59.570   211.032    86.782   346.478    81.918   37.605  9.5060  50.680  6.8361  -13.07451      11.70878 
1 1 1 -20 -5  48 o 31.803  7.1577  141.169    53.901   109.635    77.973   170.029    74.594   27.453  9.5518  33.860  8.9455  -6.406767      13.08659 
1 1 1 -20 -5  49 o 34.327  7.6475  167.844    62.066   152.114    81.319   189.794    96.061   31.409  9.6970  34.422  10.525  -3.012953      14.31101 
1 1 1 -20 -5  50 o 20.466  8.0919  45.739     59.499   87.145     74.393   -27.7632   99.118   24.962  9.2481  19.541  9.0081  5.421366       12.91022 
1 1 1 -20 -5  51 f 28.710  9.2271  126.203    72.932   128.932    81.772   115.589    161.261  28.789  9.7909  28.795  12.484  -0.5708694E-02 15.86524 
1 1 1 -20 -5  52 f 42.629  8.2211  265.236    81.953   238.396    92.848   359.893    174.366  38.886  9.8341  41.667  14.296  -2.780766      17.35173 
1 1 1 -20 -5  53 o 28.646  8.2674  121.948    60.656   131.776    77.111   105.998    98.237   29.133  9.4984  26.869  10.465  2.263342       14.13262 
1 1 1 -20 -5  54 o 32.797  8.0984  158.141    64.062   149.012    82.180   172.281    102.276  30.738  9.7858  32.157  10.950  -1.418720      14.68532 
1 1 1 -20 -5  55 o 45.941  11.630  359.372    129.767  263.165    329.855  376.988    141.149  34.021  15.934  46.091  12.365  -12.07001      20.16905 
1 1 1 -20 -5  56 o 38.009  12.024  261.228    124.221  419.402    326.477  234.453    134.324  37.044  16.798  35.328  12.518  1.716038       20.94933 
1 1 1 -20 -5  57 o 19.467  9.1832  -50.7154   113.055  237.085    308.830  -95.2526   121.489  32.217  15.192  18.776  9.0372  13.44135       17.67650 
1 1 1 -20 -4  1  o 16.722  5.1256  34.360     22.767   84.665     30.899   -25.3860   33.674   25.830  5.1111  11.436  5.2639  14.39415       7.337025 
1 1 1 -20 -4  2  o 28.036  7.5792  100.904    52.792   219.935    102.397  57.811     61.611   40.908  10.318  23.384  8.4556  17.52369       13.33974 
1 1 1 -20 -4  3  o 17.526  7.0416  18.351     45.777   -87.0482   111.505  39.716     50.203   20.433  9.4666  20.348  7.5856  0.8473778E-01  12.13082 
1 1 1 -20 -4  4  o 112.216 5.6768  1550.26    154.065  1581.53    248.950  1530.86    196.135  112.024 9.2413  110.976 7.3251  1.048126       11.79232 
1 1 1 -20 -4  5  o 72.058  4.2720  636.349    74.360   453.460    111.526  782.728    99.774   59.985  7.8508  79.765  5.1833  -19.78003      9.407552 
1 1 1 -20 -4  6  o 40.559  4.7940  203.951    46.267   202.760    59.354   205.795    73.862   40.133  6.3028  40.085  7.8751  0.4866791E-01  10.08676 
1 1 1 -20 -4  7  o 109.784 4.3295  1471.84    115.329  1287.42    181.909  1595.79    149.132  101.780 7.4170  114.109 5.3863  -12.32854      9.166426 
1 1 1 -20 -4  8  o 92.433  4.0231  1042.33    90.230   1011.76    129.776  1070.93    125.538  90.585  5.9372  93.294  5.5711  -2.709610      8.141754 
1 1 1 -20 -4  9  o 97.820  4.0124  1167.24    95.235   1121.19    135.878  1211.70    133.517  95.394  5.8994  99.265  5.5659  -3.871109      8.110563 
1 1 1 -20 -4  10 o 41.005  5.6726  209.981    54.929   234.338    77.803   185.776    77.559   42.892  7.7614  37.935  8.6218  4.957851       11.60065 
1 1 1 -20 -4  11 o 74.617  4.2428  681.705    76.499   625.195    108.644  737.273    107.733  71.030  6.3715  77.314  5.7848  -6.283203      8.605793 
1 1 1 -20 -4  12 o 15.658  7.2884  -59.9855   67.291   -59.9855   67.291   0.0000     0.0000   15.658  7.2884  ?       ?       0.000000       7.288404 
1 1 1 -20 -4  13 o 74.135  6.4645  681.035    115.121  681.035    115.121  0.0000     0.0000   74.135  6.4645  ?       ?       0.000000       6.464465 
1 1 1 -20 -4  14 o 44.642  7.4222  252.469    77.574   266.164    92.966   221.073    140.760  45.544  8.7304  41.405  12.754  4.138256       15.45572 
1 1 1 -20 -4  15 o 104.192 5.8640  1336.55    147.647  1325.45    188.001  1354.42    238.506  103.263 7.5557  103.646 9.5925  -0.3830261     12.21087 
1 1 1 -20 -4  16 o 92.987  7.5849  1076.50    169.643  1076.50    169.643  0.0000     0.0000   92.987  7.5849  ?       ?       0.000000       7.584855 
1 1 1 -20 -4  17 o 112.511 5.7670  1557.68    156.908  1658.88    208.981  1426.91    237.558  115.569 7.4929  106.478 9.2879  9.090919       11.93350 
1 1 1 -20 -4  18 o 36.233  5.8783  165.223    49.908   130.536    86.247   182.686    61.195   32.214  9.9932  37.918  6.9056  -5.704502      12.14714 
1 1 1 -20 -4  19 o 65.403  4.2996  524.715    67.853   573.043    104.967  490.026    88.930   67.915  6.4470  62.885  5.8971  5.030186       8.737296 
1 1 1 -20 -4  20 o 111.291 4.6237  1514.92    124.856  1701.01    162.587  1247.44    194.926  117.682 5.6939  99.846  8.1162  17.83619       9.914295 
1 1 1 -20 -4  21 o 20.100  7.2033  42.804     44.600   67.538     86.420   33.824     52.070   26.412  9.9315  19.936  7.6585  6.475252       12.54139 
1 1 1 -20 -4  22 o 19.413  7.3825  33.526     48.079   134.123    89.289   -7.5513    57.057   32.567  10.179  17.058  7.4106  15.50813       12.59066 
1 1 1 -20 -4  23 o 61.993  6.6301  480.375    98.185   331.546    252.137  506.977    106.599  49.944  17.188  63.592  7.0258  -13.64832      18.56834 
1 1 1 -20 -4  24 o 70.214  7.2247  618.802    121.329  0.0000     0.0000   618.802    121.329  ?       ?       70.214  7.2247  0.000000       7.224702 
1 1 1 -20 -4  25 o 86.162  7.0607  929.125    146.318  0.0000     0.0000   929.125    146.318  ?       ?       86.162  7.0607  0.000000       7.060706 
1 1 1 -20 -4  26 o 15.386  6.7566  -10.7525   48.555   0.0000     0.0000   -10.7525   48.555   ?       ?       15.386  6.7566  0.000000       6.756562 
1 1 1 -20 -4  27 o 87.095  4.2707  930.202    90.251   1116.53    139.927  797.474    118.100  94.704  6.1221  79.972  6.1330  14.73248       8.665634 
1 1 1 -20 -4  28 o 68.634  4.0262  579.367    66.756   525.963    94.572   632.401    94.243   64.812  6.0850  71.313  5.4887  -6.501007      8.194710 
1 1 1 -20 -4  29 o 69.534  3.9579  594.845    66.500   508.338    94.140   681.002    93.950   63.613  6.1769  74.032  5.2644  -10.41906      8.115945 
1 1 1 -20 -4  30 o 57.029  4.2178  401.997    57.951   425.662    84.166   380.666    79.909   58.142  6.0549  54.937  6.0976  3.204990       8.593160 
1 1 1 -20 -4  31 o 39.032  4.9227  191.307    45.585   165.549    64.856   216.457    64.085   35.444  7.7568  41.025  6.6668  -5.581768      10.22805 
1 1 1 -20 -4  32 o 36.045  5.2340  164.574    44.439   129.654    63.197   198.727    62.500   31.194  8.2303  39.165  6.8250  -7.970894      10.69199 
1 1 1 -20 -4  33 o 60.791  4.1768  457.933    61.236   458.978    86.344   456.875    86.861   60.207  5.9900  60.046  6.0439  0.1613159      8.509337 
1 1 1 -20 -4  34 o 11.857  5.3430  -15.0034   32.433   49.798     43.385   -97.0889   48.830   20.549  7.1264  10.846  5.3313  9.703259       8.899930 
1 1 1 -20 -4  35 o 65.200  4.1135  527.377    64.743   521.631    91.318   533.185    91.806   64.087  5.9400  64.816  5.9021  -0.7291641     8.373679 
1 1 1 -20 -4  36 o 21.292  7.5310  53.206     48.597   87.250     54.804   -72.0817   105.135  25.745  7.9626  19.562  9.1070  6.182365       12.09719 
1 1 1 -20 -4  37 f 52.068  5.9974  347.366    74.385   377.004    89.739   282.285    132.977  53.747  7.0513  43.600  12.128  10.14713       14.02890 
1 1 1 -20 -4  38 o 31.590  5.7208  129.559    42.236   103.499    60.047   155.077    59.418   27.702  8.2886  33.998  7.4119  -6.296333      11.11924 
1 1 1 -20 -4  39 o 35.367  6.5522  164.644    54.157   167.783    85.431   162.536    70.025   34.479  9.7671  34.381  8.4533  0.9848404E-01  12.91720 
1 1 1 -20 -4  40 o 64.188  4.5719  516.542    70.740   552.005    103.656  485.627    96.781   65.233  6.6414  61.160  6.6277  4.073380       9.382730 
1 1 1 -20 -4  41 o 41.521  7.1265  229.246    69.212   275.571    183.233  221.537    74.749   41.184  14.617  40.412  7.9063  0.7718430      16.61846 
1 1 1 -20 -4  42 o 23.245  8.6892  62.203     65.962   -48.3809   179.582  79.450     70.919   26.164  12.084  25.182  9.0771  0.9817791      15.11314 
1 1 1 -20 -4  43 o 33.964  8.7956  162.895    73.061   157.708    183.068  163.878    79.682   34.069  13.937  33.821  9.3812  0.2485733      16.79986 
1 1 1 -20 -4  44 f 48.629  5.2664  303.597    61.147   329.668    92.983   283.732    81.167   48.982  8.1070  45.707  7.5846  3.275219       11.10179 
1 1 1 -20 -4  45 o 16.522  6.9544  11.692     47.449   53.972     75.355   -16.0858   61.079   22.859  9.0847  16.393  7.3646  6.466370       11.69489 
1 1 1 -20 -4  46 o 32.084  7.1679  142.121    54.395   102.994    82.801   171.825    72.146   27.219  9.8084  34.518  8.6355  -7.298895      13.06818 
1 1 1 -20 -4  47 o 34.250  6.7863  160.530    54.403   229.491    80.748   103.206    73.621   39.882  8.5975  26.907  9.2860  12.97560       12.65486 
1 1 1 -20 -4  48 o 56.350  4.8968  409.108    66.287   353.076    95.674   460.838    91.928   49.849  8.1948  58.505  6.5905  -8.656338      10.51616 
1 1 1 -20 -4  49 o 38.621  7.5366  210.822    68.090   169.228    87.152   275.990    109.088  32.801  10.024  41.380  10.763  -8.579277      14.70807 
1 1 1 -20 -4  50 o 58.347  5.6638  450.381    79.174   447.941    107.509  453.272    117.035  55.833  8.1782  55.259  9.0414  0.5738297      12.19138 
1 1 1 -20 -4  51 o 36.741  8.9630  204.737    79.193   199.663    89.290   223.443    171.442  35.392  9.9712  33.915  13.627  1.476955       16.88540 
1 1 1 -20 -4  52 o 18.653  8.0354  16.690     65.954   29.585     72.590   -44.3249   157.900  20.144  8.5467  22.979  10.844  -2.834812      13.80703 
1 1 1 -20 -4  53 o 22.547  8.1639  68.658     57.461   26.342     72.236   141.572    94.821   19.908  8.4883  29.707  10.518  -9.799276      13.51610 
1 1 1 -20 -4  54 o 15.784  7.0099  -4.7585    53.684   -19.6712   67.736   20.431     88.034   16.658  7.5913  20.854  9.1292  -4.196037      11.87306 
1 1 1 -20 -4  55 o 26.818  10.977  100.801    113.668  287.914    310.709  71.890     122.134  34.530  15.929  25.484  10.956  9.046013       19.33286 
1 1 1 -20 -4  56 o 38.403  12.024  268.198    124.539  253.297    332.222  270.635    134.335  33.055  15.638  37.840  12.547  -4.784950      20.04918 
1 1 1 -20 -4  57 o 43.317  11.832  338.971    127.880  215.565    338.569  359.506    138.110  31.432  15.118  43.764  12.426  -12.33215      19.56956 
1 1 1 -20 -3  1  o 57.431  5.5429  408.897    76.282   408.578    131.471  409.059    93.659   56.120  10.023  57.112  6.8983  -0.9926109     12.16720 
1 1 1 -20 -3  2  o 102.331 5.5454  1289.57    137.177  1213.83    221.126  1336.96    174.899  97.909  9.4243  103.753 6.9881  -5.844048      11.73252 
1 1 1 -20 -3  3  o 149.280 6.1526  2742.58    222.857  2976.21    350.745  2584.40    288.602  153.772 9.4462  143.854 8.3036  9.918762       12.57693 
1 1 1 -20 -3  4  o 132.343 4.0556  2137.75    130.232  2111.28    185.363  2163.54    183.011  131.102 5.8271  132.755 5.6815  -1.653275      8.138430 
1 1 1 -20 -3  5  o 102.848 3.8096  1289.96    95.070   1242.46    134.953  1336.75    133.951  100.497 5.5559  104.313 5.3098  -3.815575      7.685194 
1 1 1 -20 -3  6  o 106.907 3.9233  1394.04    101.770  1193.18    142.069  1605.74    145.855  98.384  5.9796  114.496 5.2501  -16.11169      7.957327 
1 1 1 -20 -3  7  o 130.632 4.2536  2083.10    134.825  1921.78    189.781  2247.49    191.575  124.867 6.2839  135.322 5.8346  -10.45474      8.574957 
1 1 1 -20 -3  8  o 113.437 4.0278  1569.68    110.863  1435.23    158.033  1699.96    155.563  107.937 6.0586  117.786 5.4431  -9.849571      8.144589 
1 1 1 -20 -3  9  o 150.051 4.3564  2748.87    158.611  2736.17    225.517  2761.30    223.122  149.215 6.2288  149.928 6.1333  -0.7127838     8.741584 
1 1 1 -20 -3  10 o 64.850  4.4931  516.027    70.264   476.175    99.639   555.450    99.101   61.834  6.7507  66.970  6.1680  -5.135933      9.144185 
1 1 1 -20 -3  11 o 51.223  7.4973  330.649    90.424   330.649    90.424   0.0000     0.0000   51.223  7.4973  ?       ?       0.000000       7.497322 
1 1 1 -20 -3  12 o 48.868  8.0211  303.082    91.807   303.082    91.807   0.0000     0.0000   48.868  8.0211  ?       ?       0.000000       8.021059 
1 1 1 -20 -3  13 o 55.183  4.9565  375.369    65.657   293.103    95.019   450.540    90.830   47.920  8.4824  60.228  6.3090  -12.30758      10.57141 
1 1 1 -20 -3  14 o 150.682 5.2841  2780.29    193.197  2616.13    230.964  3162.78    352.551  145.812 6.5281  158.997 9.1774  -13.18506      11.26233 
1 1 1 -20 -3  15 o 105.259 5.7241  1362.91    145.644  1439.84    194.440  1264.57    219.832  107.680 7.4885  100.314 9.1316  7.366829       11.80951 
1 1 1 -20 -3  16 o 126.588 6.0278  1968.34    185.147  2345.05    247.396  1488.75    279.144  137.540 7.4407  108.170 10.779  29.37019       13.09779 
1 1 1 -20 -3  17 o 106.403 5.7655  1393.45    148.297  1457.62    197.880  1311.23    223.984  108.278 7.5796  102.108 9.1371  6.170341       11.87168 
1 1 1 -20 -3  18 o 104.843 4.0704  1341.49    103.547  1571.62    155.080  1156.36    139.096  113.171 5.6475  96.841  5.9484  16.33056       8.202278 
1 1 1 -20 -3  19 o 130.601 4.2543  2083.17    134.815  2430.75    198.152  1783.63    183.952  140.674 5.8052  120.205 6.3293  20.46955       8.588378 
1 1 1 -20 -3  20 o 146.115 4.4145  2609.47    156.510  2954.27    225.956  2291.48    216.993  154.980 6.0088  136.314 6.5606  18.66609       8.896425 
1 1 1 -20 -3  21 o 103.531 4.2099  1309.62    105.758  1560.75    159.029  1110.49    141.610  112.511 5.8454  94.756  6.1932  17.75459       8.516186 
1 1 1 -20 -3  22 o 59.168  6.1001  435.706    86.320   466.974    109.885  385.315    139.495  60.868  7.6063  54.128  10.996  6.739124       13.37058 
1 1 1 -20 -3  23 o 135.813 7.9134  2307.50    259.647  0.0000     0.0000   2307.50    259.647  ?       ?       135.813 7.9134  0.000000       7.913437 
1 1 1 -20 -3  24 o 63.374  7.3535  505.998    110.973  0.0000     0.0000   505.998    110.973  ?       ?       63.374  7.3535  0.000000       7.353456 
1 1 1 -20 -3  25 o 86.635  7.0552  939.595    147.021  0.0000     0.0000   939.595    147.021  ?       ?       86.635  7.0552  0.000000       7.055224 
1 1 1 -20 -3  26 o 51.279  5.0854  326.638    62.440   394.731    104.626  288.969    77.817   55.556  7.9915  47.717  6.9232  7.838783       10.57332 
1 1 1 -20 -3  27 o 32.095  6.4532  132.406    48.512   65.814     83.722   166.067    59.524   25.797  9.7583  35.876  7.0892  -10.07986      12.06154 
1 1 1 -20 -3  28 o 64.111  4.0643  506.016    62.897   563.440    89.272   449.413    88.632   67.267  5.5181  59.818  6.1963  7.448788       8.297211 
1 1 1 -20 -3  29 o 90.406  3.9644  1002.71    86.963   1008.80    123.522  996.715    122.454  89.987  5.6864  89.450  5.6713  0.5368347      8.031123 
1 1 1 -20 -3  30 o 131.237 4.1953  2118.12    133.594  2182.98    190.836  2055.79    187.082  132.335 5.9432  128.385 6.0055  3.949326       8.449168 
1 1 1 -20 -3  31 o 71.022  3.9645  621.927    68.047   535.061    97.015   706.048    95.469   65.088  6.2186  75.240  5.2625  -10.15255      8.146455 
1 1 1 -20 -3  32 o 46.865  4.6070  274.081    51.711   184.528    71.750   370.871    74.593   37.234  8.1666  54.195  5.7608  -16.96139      9.994006 
1 1 1 -20 -3  33 o 49.363  4.4396  303.652    52.606   286.636    74.528   320.549    74.266   47.167  6.7004  50.106  6.2440  -2.938328      9.158747 
1 1 1 -20 -3  34 o 71.813  4.0514  638.467    70.306   602.968    100.163  672.943    98.709   68.940  6.0490  73.074  5.6099  -4.133949      8.249907 
1 1 1 -20 -3  35 o 42.893  6.3767  237.745    64.346   175.293    76.054   395.058    120.705  35.813  8.8122  53.747  9.6084  -17.93388      13.03749 
1 1 1 -20 -3  36 o 47.298  6.2722  288.315    70.207   291.561    84.392   281.021    126.521  46.914  7.6794  43.864  11.680  3.050175       13.97812 
1 1 1 -20 -3  37 o 66.559  5.5078  561.202    88.152   538.369    106.685  610.341    156.507  64.400  6.9368  66.413  10.024  -2.012886      12.19029 
1 1 1 -20 -3  38 o 74.916  4.0753  697.484    73.801   598.155    104.078  797.937    104.665  68.199  6.3629  79.409  5.4654  -11.20974      8.387913 
1 1 1 -20 -3  39 o 66.289  4.5383  550.116    72.557   673.073    106.210  442.517    99.355   72.488  6.0951  58.064  7.2071  14.42403       9.438879 
1 1 1 -20 -3  40 o 62.919  4.6836  497.381    70.991   528.517    105.966  472.026    95.623   63.581  6.9838  60.255  6.6513  3.326450       9.644311 
1 1 1 -20 -3  41 o 18.326  7.5554  20.035     54.330   -225.3478  159.913  52.055     57.766   20.276  9.8996  21.694  8.1271  -1.418550      12.80832 
1 1 1 -20 -3  42 o 24.799  8.9465  76.817     68.916   230.980    171.210  47.009     75.284   38.136  14.049  22.602  9.0482  15.53397       16.71017 
1 1 1 -20 -3  43 f 21.552  8.3776  47.736     62.864   157.239    173.019  31.081     67.476   33.695  13.636  20.560  8.4416  13.13447       16.03762 
1 1 1 -20 -3  44 o 34.294  6.8701  158.966    55.175   197.691    82.025   126.964    74.566   37.036  9.1750  29.793  9.3001  7.242573       13.06413 
1 1 1 -20 -3  45 o 12.336  5.7260  -30.1790   41.078   -26.7114   67.796   -32.1905   51.636   16.658  7.5927  14.033  6.4805  2.625039       9.982220 
1 1 1 -20 -3  46 o 27.440  7.5640  105.618    51.982   171.864    82.439   61.895     66.975   33.898  9.5918  22.808  8.7038  11.08954       12.95224 
1 1 1 -20 -3  47 o 18.159  7.1844  31.226     46.932   90.443     73.039   -10.4178   61.250   25.593  9.2132  16.599  7.4219  8.993309       11.83077 
1 1 1 -20 -3  48 f 36.865  7.5999  192.100    65.722   154.944    85.132   246.911    103.397  31.621  9.9481  39.396  10.589  -7.775263      14.52889 
1 1 1 -20 -3  49 o 59.533  5.5283  466.017    78.945   499.867    105.886  423.653    118.458  59.877  7.4492  52.963  9.5701  6.914063       12.12751 
1 1 1 -20 -3  50 f 20.264  8.0409  44.372     58.949   10.153     75.070   99.412     95.207   19.161  8.4080  26.416  10.298  -7.255215      13.29468 
1 1 1 -20 -3  51 o 34.158  9.2504  180.104    78.559   201.850    88.117   95.863     173.437  35.692  9.8518  28.251  12.571  7.441473       15.97117 
1 1 1 -20 -3  52 o 34.465  8.0828  174.206    66.423   124.839    87.086   242.873    102.708  28.330  10.075  38.468  10.644  -10.13851      14.65577 
1 1 1 -20 -3  53 o 22.069  8.2302  63.216     59.109   80.579     75.055   34.862     95.916   24.320  9.2298  22.246  9.6361  2.074123       13.34334 
1 1 1 -20 -3  54 o 23.956  8.3752  81.105     59.981   21.754     75.411   183.313    98.960   19.883  8.5785  33.250  10.755  -13.36771      13.75693 
1 1 1 -20 -3  55 o 16.162  7.8841  -130.2603  100.802  -496.3423  232.280  -45.3210   111.886  19.674  9.9463  19.774  9.2673  -0.9955978E-01 13.59457 
1 1 1 -20 -3  56 o 20.160  9.2576  -13.2900   103.315  -151.4016  209.223  31.248     118.812  22.815  11.178  23.083  10.328  -0.2687016     15.21894 
1 1 1 -20 -2  1  o 105.899 5.5471  1381.00    142.039  1278.69    226.313  1447.50    182.448  100.509 9.3886  107.959 7.0027  -7.449883      11.71256 
1 1 1 -20 -2  2  o 86.608  5.4273  923.787    113.476  1013.37    187.152  871.705    142.700  89.714  8.7071  83.678  7.0951  6.035599       11.23186 
1 1 1 -20 -2  3  o 82.808  3.7474  836.239    75.296   843.446    107.705  829.350    105.305  82.766  5.3926  82.086  5.3156  0.6799240      7.572028 
1 1 1 -20 -2  4  o 86.011  3.8187  902.209    79.697   842.895    112.030  962.982    113.399  82.703  5.6160  88.494  5.3057  -5.791061      7.725936 
1 1 1 -20 -2  5  o 102.493 3.8693  1281.10    96.226   1172.42    134.842  1393.89    137.362  97.588  5.7196  106.665 5.3074  -9.077538      7.802719 
1 1 1 -20 -2  6  o 120.024 4.2000  1758.24    122.315  1743.16    172.468  1773.50    173.496  118.995 5.9925  120.182 5.9496  -1.187241      8.444386 
1 1 1 -20 -2  7  o 110.237 4.1912  1483.01    112.106  1454.90    157.845  1511.63    159.248  108.692 6.0084  110.815 5.9443  -2.122383      8.451928 
1 1 1 -20 -2  8  o 91.339  4.1177  1017.84    91.259   985.604    128.577  1050.55    129.549  89.416  5.9605  92.364  5.8102  -2.947197      8.323756 
1 1 1 -20 -2  9  o 80.181  4.1889  786.575    81.213   782.617    115.989  790.381    113.747  79.618  6.0493  80.048  5.8979  -0.4300766     8.448565 
1 1 1 -20 -2  10 o 93.272  6.0072  1072.17    135.230  1072.17    135.230  0.0000     0.0000   93.272  6.0072  ?       ?       0.000000       6.007209 
1 1 1 -20 -2  11 o 10.539  5.3098  -198.4570  62.749   -198.4570  62.749   0.0000     0.0000   10.539  5.3098  ?       ?       0.000000       5.309844 
1 1 1 -20 -2  12 o 92.285  6.1236  1050.33    136.343  1050.33    136.343  0.0000     0.0000   92.285  6.1236  ?       ?       0.000000       6.123631 
1 1 1 -20 -2  13 o 81.942  4.3521  821.958    86.221   706.377    124.188  929.513    119.799  75.426  6.8607  86.883  5.7146  -11.45701      8.928899 
1 1 1 -20 -2  14 o 87.643  5.8851  946.701    124.424  1088.81    166.073  764.856    187.859  93.620  7.3704  77.462  10.246  16.15787       12.62191 
1 1 1 -20 -2  15 o 110.070 5.9013  1491.15    157.035  1734.49    209.999  1182.47    236.519  118.282 7.3534  96.549  10.253  21.73311       12.61732 
1 1 1 -20 -2  16 o 114.963 5.8863  1626.53    163.646  1866.88    217.348  1311.93    248.659  122.717 7.3330  101.735 10.211  20.98191       12.57131 
1 1 1 -20 -2  17 o 104.138 4.1257  1323.53    104.248  1618.63    156.546  1088.39    139.740  114.874 5.6164  93.899  6.1677  20.97543       8.341680 
1 1 1 -20 -2  18 o 85.807  4.2191  898.974    87.842   1159.01    136.885  716.920    114.536  96.977  5.8446  76.092  6.2590  20.88560       8.563564 
1 1 1 -20 -2  19 o 80.657  4.2195  796.610    82.292   956.297    126.789  680.372    108.173  88.007  5.9728  74.145  6.0659  13.86233       8.512882 
1 1 1 -20 -2  20 o 92.022  4.3084  1034.72    96.200   1123.56    142.801  960.892    130.169  95.335  6.2071  88.157  6.1234  7.178337       8.719125 
1 1 1 -20 -2  21 o 107.462 5.0678  1415.56    132.142  1508.83    161.167  1224.25    230.814  110.553 6.0310  98.125  9.8264  12.42770       11.52956 
1 1 1 -20 -2  22 o 57.266  9.2933  421.809    124.705  0.0000     0.0000   421.809    124.705  ?       ?       57.266  9.2933  0.000000       9.293336 
1 1 1 -20 -2  23 o 75.805  8.2006  726.045    148.433  0.0000     0.0000   726.045    148.433  ?       ?       75.805  8.2006  0.000000       8.200580 
1 1 1 -20 -2  24 o 19.226  8.3598  -8.3929    72.739   0.0000     0.0000   -8.3929    72.739   ?       ?       19.226  8.3598  0.000000       8.359775 
1 1 1 -20 -2  25 o 39.887  6.9874  203.320    65.160   575.268    227.260  170.003    68.016   64.129  14.891  36.169  7.9656  27.96014       16.88745 
1 1 1 -20 -2  26 o 52.141  4.7591  336.757    59.547   411.744    96.377   290.458    75.730   57.034  7.1193  47.892  6.7004  9.142040       9.776482 
1 1 1 -20 -2  27 o 31.205  6.0418  124.681    44.093   130.879    62.854   118.675    61.872   31.611  8.1442  30.148  8.2282  1.463654       11.57723 
1 1 1 -20 -2  28 f 99.166  3.9722  1205.77    95.579   1193.20    137.451  1217.54    132.996  97.899  5.8124  99.003  5.5589  -1.103600      8.042720 
1 1 1 -20 -2  29 o 84.218  3.9241  870.247    80.188   893.684    115.029  848.088    111.845  84.671  5.6311  82.477  5.6224  2.194016       7.957405 
1 1 1 -20 -2  30 o 31.445  5.8678  126.938    43.124   242.912    60.324   5.7260     61.671   43.805  5.8195  18.497  7.8638  25.30821       9.782956 
1 1 1 -20 -2  31 o 54.907  4.3215  373.878    57.109   386.895    81.144   361.101    80.389   55.260  6.1564  53.297  6.3408  1.963253       8.837802 
1 1 1 -20 -2  32 o 49.788  4.4846  308.749    53.595   310.300    75.463   307.171    76.129   49.241  6.4728  48.949  6.5761  0.2919884      9.227299 
1 1 1 -20 -2  33 o 11.375  5.2290  -23.0816   33.073   -66.4474   44.906   28.326     48.893   11.337  5.4658  18.662  7.3491  -7.325551      9.158783 
1 1 1 -20 -2  34 o 124.769 4.1999  1924.84    127.148  2041.64    181.085  1811.27    178.570  127.370 5.8593  119.594 6.1747  7.776253       8.512287 
1 1 1 -20 -2  35 o 21.585  7.6342  54.737     49.939   38.243     57.508   105.313    100.705  20.517  8.0022  29.257  10.775  -8.740713      13.42139 
1 1 1 -20 -2  36 o 57.388  5.7841  419.435    79.442   466.402    95.398   313.183    143.486  60.099  6.6536  45.730  12.551  14.36948       14.20541 
1 1 1 -20 -2  37 o 20.099  6.7764  49.516     39.167   76.092     55.697   23.516     55.089   24.351  8.0790  18.826  7.6666  5.524988       11.13765 
1 1 1 -20 -2  38 o 23.017  7.3207  68.598     46.000   -7.1219    73.641   117.046    58.905   18.861  8.3008  29.337  8.0375  -10.47634      11.55440 
1 1 1 -20 -2  39 o 45.573  5.4748  265.432    59.329   264.909    87.128   265.884    81.012   44.082  8.4533  44.525  7.7819  -0.4427757     11.48985 
1 1 1 -20 -2  40 o 49.190  7.2852  320.640    84.322   151.554    188.877  362.729    94.235   34.588  14.153  52.137  7.6791  -17.54827      16.10230 
1 1 1 -20 -2  41 f 15.728  7.0697  -18.6700   56.366   127.146    162.112  -38.7228   60.117   32.331  13.157  15.139  6.9917  17.19193       14.89972 
1 1 1 -20 -2  42 o 20.387  8.2629  33.068     63.631   -62.8747   167.923  49.154     68.759   24.817  11.539  22.211  8.7251  2.606281       14.46622 
1 1 1 -20 -2  43 o 27.785  7.4446  106.044    51.204   195.983    78.581   39.680     67.501   37.167  8.8420  21.216  8.5414  15.95121       12.29375 
1 1 1 -20 -2  44 o 24.918  7.6590  84.909     50.793   91.791     81.964   80.618     64.718   26.423  9.7223  24.730  8.6967  1.693327       13.04433 
1 1 1 -20 -2  45 o 29.823  7.1069  122.742    50.697   188.487    78.142   74.955     66.621   36.016  8.9743  24.107  8.7810  11.90936       12.55565 
1 1 1 -20 -2  46 o 14.140  6.3372  -12.4496   44.936   12.646     75.876   -26.0065   55.768   19.747  8.5621  14.949  6.8416  4.797311       10.95979 
1 1 1 -20 -2  47 o 20.560  7.4208  52.936     47.423   80.341     74.709   34.443     61.372   24.651  9.2409  19.820  8.0841  4.830759       12.27795 
1 1 1 -20 -2  48 o 16.348  7.2050  -1.6302    55.663   -13.5920   74.108   13.854     84.315   17.831  8.0520  20.360  8.9231  -2.528742      12.01902 
1 1 1 -20 -2  49 o 36.149  7.6387  186.824    64.902   198.441    85.915   171.382    99.051   35.676  9.6790  32.354  10.776  3.321678       14.48448 
1 1 1 -20 -2  50 o 52.854  7.4323  392.348    92.683   405.493    106.898  352.546    186.012  52.498  8.6963  40.604  14.691  11.89474       17.07157 
1 1 1 -20 -2  51 o 12.416  6.0614  -93.1813   59.883   -62.7265   65.216   -256.8606  151.191  14.305  6.8139  17.885  8.8953  -3.579871      11.20515 
1 1 1 -20 -2  52 o 19.917  7.9080  42.415     57.047   82.317     70.041   -36.2174   98.323   24.308  8.9799  19.050  8.8480  5.258097       12.60658 
1 1 1 -20 -2  53 o 30.948  9.7069  150.377    81.123   525.190    156.252  12.066     94.917   55.841  11.896  20.960  9.3141  34.88077       15.10884 
1 1 1 -20 -2  54 o 40.647  11.556  284.284    119.365  68.395     222.063  372.010    141.555  28.532  13.267  45.652  12.440  -17.11977      18.18702 
1 1 1 -20 -2  55 o 26.203  10.899  92.980     114.495  300.760    215.678  11.449     135.104  35.904  14.949  23.313  10.662  12.59062       18.36153 
1 1 1 -20 -2  56 o 19.507  9.1818  -45.7020   111.894  -385.0268  211.950  85.413     131.750  19.514  9.8219  25.946  11.266  -6.431625      14.94648 
1 1 1 -20 -1  1  o 51.059  5.9039  324.651    71.794   300.671    125.779  336.239    87.438   47.766  11.069  51.670  7.1673  -3.903156      13.18669 
1 1 1 -20 -1  2  o 102.764 3.8617  1288.34    96.291   1248.77    134.691  1329.69    137.710  100.735 5.5317  103.970 5.4781  -3.235657      7.785217 
1 1 1 -20 -1  3  o 106.039 3.9426  1371.80    101.440  1406.10    143.492  1337.53    143.423  106.925 5.5498  104.241 5.6920  2.683830       7.949780 
1 1 1 -20 -1  4  o 91.261  3.9100  1015.83    86.582   977.430    122.227  1054.51    122.664  89.080  5.6845  92.586  5.4846  -3.505775      7.899027 
1 1 1 -20 -1  5  o 107.382 4.0487  1406.78    105.489  1467.06    150.642  1348.77    147.768  109.215 5.7044  104.672 5.8415  4.542732       8.164728 
1 1 1 -20 -1  6  o 74.512  4.2005  679.674    75.634   611.739    108.392  744.138    105.587  70.241  6.4312  77.706  5.6384  -7.464432      8.552870 
1 1 1 -20 -1  7  o 175.809 4.7958  3778.44    204.581  3554.86    288.944  4003.19    289.701  169.799 7.0132  180.346 6.6203  -10.54692      9.644327 
1 1 1 -20 -1  8  o 69.744  4.5868  596.710    77.188   575.885    106.001  620.218    112.620  68.132  6.4904  70.692  6.6437  -2.559738      9.287837 
1 1 1 -20 -1  9  o 73.300  6.4025  665.347    112.729  665.347    112.729  0.0000     0.0000   73.300  6.4025  ?       ?       0.000000       6.402506 
1 1 1 -20 -1  10 o 77.888  6.3331  750.288    118.651  750.288    118.651  0.0000     0.0000   77.888  6.3331  ?       ?       0.000000       6.333092 
1 1 1 -20 -1  11 o 67.960  6.6872  573.678    108.842  573.678    108.842  0.0000     0.0000   67.960  6.6872  ?       ?       0.000000       6.687151 
1 1 1 -20 -1  12 o 51.356  5.4801  326.664    67.234   361.419    95.821   292.961    94.361   53.582  7.5819  47.932  8.4207  5.649662       11.33104 
1 1 1 -20 -1  13 o 80.357  5.8356  796.165    113.006  794.482    152.707  798.203    168.016  79.716  8.0031  79.646  8.8433  0.6937408E-01  11.92699 
1 1 1 -20 -1  14 o 168.502 6.7113  3496.12    274.395  4027.76    368.894  2837.65    410.546  180.089 8.4421  149.362 11.415  30.72771       14.19722 
1 1 1 -20 -1  15 o 65.949  6.5890  540.442    104.026  754.322    141.911  292.037    152.936  77.745  7.6208  46.982  12.984  30.76220       15.05487 
1 1 1 -20 -1  16 o 104.812 4.1665  1340.72    105.961  1595.57    157.225  1128.63    143.427  114.050 5.6815  95.625  6.2153  18.42531       8.420714 
1 1 1 -20 -1  17 o 90.100  4.1085  990.731    89.820   1166.50    135.410  852.628    120.027  97.325  5.7597  83.101  5.9928  14.22372       8.311922 
1 1 1 -20 -1  18 o 107.020 4.1746  1398.30    108.403  1606.96    161.522  1227.28    146.227  114.240 5.8467  99.737  6.0713  14.50247       8.428764 
1 1 1 -20 -1  19 f 112.671 4.3104  1550.87    117.841  1713.51    172.369  1408.15    161.471  117.889 6.0462  106.777 6.2597  11.11185       8.702897 
1 1 1 -20 -1  20 o 35.260  8.6203  161.203    73.134   186.056    95.868   126.606    113.111  37.755  10.216  32.937  11.502  4.817600       15.38413 
1 1 1 -20 -1  21 f 68.942  6.4522  591.356    106.678  759.964    142.469  376.172    160.948  77.870  7.6386  52.973  12.689  24.89717       14.81064 
1 1 1 -20 -1  22 o 91.364  7.8421  1046.85    172.163  0.0000     0.0000   1046.85    172.163  ?       ?       91.364  7.8421  0.000000       7.842059 
1 1 1 -20 -1  23 o 80.397  8.0716  815.362    155.332  0.0000     0.0000   815.362    155.332  ?       ?       80.397  8.0716  0.000000       8.071645 
1 1 1 -20 -1  24 o 135.791 6.4997  2284.67    214.153  2002.53    349.761  2453.88    270.862  123.773 11.789  139.764 8.0207  -15.99136      14.25840 
1 1 1 -20 -1  25 o 118.258 4.3125  1713.86    123.744  1855.19    178.373  1582.73    171.812  122.463 6.0029  112.840 6.3003  9.622902       8.702208 
1 1 1 -20 -1  26 o 77.152  4.1901  731.719    78.145   734.172    107.454  728.966    113.852  76.825  5.8073  76.421  6.1932  0.4035263      8.490025 
1 1 1 -20 -1  27 o 119.214 4.2204  1743.93    122.080  1698.54    172.061  1789.94    173.241  116.790 6.0928  120.109 5.9444  -3.318642      8.512276 
1 1 1 -20 -1  28 o 81.115  4.0822  809.521    80.088   773.404    111.206  848.438    115.436  78.698  5.8658  82.469  5.8059  -3.770958      8.253259 
1 1 1 -20 -1  29 o 32.352  6.1336  134.592    46.386   114.796    64.061   156.411    67.256   29.561  8.4860  34.392  8.1789  -4.830658      11.78591 
1 1 1 -20 -1  30 f 22.005  7.4983  57.771     47.962   83.927     54.821   -27.5731   99.025   25.599  7.9715  21.116  9.4396  4.482943       12.35520 
1 1 1 -20 -1  31 o 84.192  3.9335  871.944    80.356   885.735    114.270  858.452    113.023  84.079  5.6338  82.755  5.6627  1.323746       7.987814 
1 1 1 -20 -1  32 o 20.603  6.7595  52.235     39.029   68.729     54.221   34.499     56.225   23.629  7.9729  20.138  7.8965  3.491058       11.22153 
1 1 1 -20 -1  33 o 43.972  4.8035  242.851    50.417   269.447    70.911   215.664    71.695   45.701  6.5849  40.407  7.5914  5.293915       10.04938 
1 1 1 -20 -1  34 o 35.130  7.2361  163.449    59.627   131.124    69.907   249.756    114.228  31.066  8.8475  41.823  11.079  -10.75716      14.17857 
1 1 1 -20 -1  35 o 39.225  6.8833  201.883    63.123   240.412    74.244   101.390    119.904  42.634  7.4480  29.827  11.577  12.80694       13.76565 
1 1 1 -20 -1  36 o 26.109  7.9078  90.620     54.412   98.707     61.712   62.379     115.328  27.194  8.4560  26.983  11.053  0.2105465      13.91629 
1 1 1 -20 -1  37 o 39.759  5.0290  200.808    47.431   260.229    67.181   141.754    66.974   44.789  6.3604  32.143  8.4688  12.64647       10.59123 
1 1 1 -20 -1  38 o 21.533  7.6440  55.064     50.112   156.425    82.230   -4.8164    63.204   33.375  9.6242  17.668  7.7350  15.70705       12.34728 
1 1 1 -20 -1  39 o 21.313  7.5335  54.350     48.623   152.137    75.228   -15.8104   63.722   32.996  9.1010  17.012  7.5908  15.98432       11.85106 
1 1 1 -20 -1  40 o 22.658  7.6678  65.055     50.152   65.742     75.666   64.516     66.977   24.275  9.2542  23.592  8.7682  0.6828594      12.74839 
1 1 1 -20 -1  41 o 30.642  8.8924  131.485    70.000   267.327    175.165  105.668    76.362   40.404  14.297  27.926  9.4616  12.47846       17.14430 
1 1 1 -20 -1  42 o 42.189  7.9210  243.524    78.107   -0.0007    186.736  295.164    85.990   27.857  12.660  46.560  7.8936  -18.70251      14.91924 
1 1 1 -20 -1  43 o 13.579  6.2386  -27.7241   46.992   10.475     70.151   -58.8175   63.290   19.268  8.2936  14.533  6.8602  4.735021       10.76317 
1 1 1 -20 -1  44 o 16.313  7.0422  3.5484     50.877   47.745     77.717   -29.5958   67.302   22.520  9.1302  16.450  7.5236  6.070251       11.83072 
1 1 1 -20 -1  45 o 36.205  7.1693  180.188    60.752   210.381    83.025   145.392    89.131   37.906  9.1346  31.099  10.215  6.806667       13.70390 
1 1 1 -20 -1  46 o 39.411  6.7567  211.322    62.286   220.136    86.189   201.687    90.115   38.447  9.3330  36.310  9.9386  2.136974       13.63375 
1 1 1 -20 -1  47 o 28.364  8.4334  117.507    62.309   108.491    80.168   131.265    99.026   27.261  9.6693  29.334  10.703  -2.073139      14.42359 
1 1 1 -20 -1  48 o 26.458  8.6217  102.373    63.536   109.037    82.879   92.875     98.949   27.148  9.8085  26.217  10.413  0.9308758      14.30519 
1 1 1 -20 -1  49 o 20.148  8.0963  41.587     60.528   23.001     78.528   68.792     95.006   20.272  8.7502  24.291  10.0000 -4.018890      13.28785 
1 1 1 -20 -1  50 o 20.030  8.4194  31.438     69.398   -21.5278   78.565   219.487    148.037  17.770  8.1279  34.219  12.968  -16.44921      15.30494 
1 1 1 -20 -1  51 o 16.950  7.6142  -9.0848    65.269   7.2516     73.140   -72.9663   144.632  18.767  8.2656  21.390  10.177  -2.623051      13.11100 
1 1 1 -20 -1  52 o 39.106  7.3438  216.076    67.125   217.334    85.203   214.016    108.989  37.565  9.3770  35.480  11.267  2.084946       14.65836 
1 1 1 -20 -1  53 o 23.098  8.1807  73.669     57.363   75.442     71.475   70.462     96.154   23.732  9.0070  24.398  10.054  -0.6659489     13.49864 
1 1 1 -20 -1  54 o 20.376  9.4277  -25.5809   110.060  -103.9050  206.093  5.6679     130.177  23.891  11.566  22.934  10.480  0.9568214      15.60719 
1 1 1 -20 -1  55 o 23.771  10.421  49.448     115.076  -111.6522  218.559  111.239    135.358  23.965  11.673  27.526  11.674  -3.560934      16.50876 
1 1 1 -20 -1  56 o 36.460  11.801  248.643    119.141  166.129    240.300  275.537    137.189  29.943  13.881  37.103  12.681  -7.159191      18.80190 
1 1 1 -20 0   1  o 82.203  3.8105  824.321    76.004   834.320    105.031  813.330    110.123  82.328  5.2857  81.204  5.6236  1.123322       7.717770 
1 1 1 -20 0   2  o 101.006 4.2599  1245.96    104.402  1162.68    131.920  1385.54    170.787  97.180  5.6186  105.804 6.6870  -8.624725      8.734090 
1 1 1 -20 0   3  o 147.445 4.2866  2654.70    153.357  2496.03    216.370  2814.87    217.393  142.450 6.2600  151.385 5.9183  -8.934921      8.614747 
1 1 1 -20 0   4  o 25.997  7.0303  86.178     45.414   50.300     70.018   112.231    59.666   23.507  8.9163  29.603  8.0805  -6.096216      12.03310 
1 1 1 -20 0   5  o 195.968 5.0843  4699.84    241.757  4739.95    342.365  4659.94    341.429  195.951 7.2008  194.270 7.2432  1.680634       10.21348 
1 1 1 -20 0   6  o 74.829  4.1842  685.376    75.667   696.415    108.540  674.939    105.543  75.084  6.0081  73.926  5.9339  1.157509       8.444421 
1 1 1 -20 0   7  o 209.868 5.2488  5391.85    267.281  5313.90    377.861  5469.90    378.124  207.374 7.5096  210.449 7.4050  -3.074951      10.54644 
1 1 1 -20 0   8  o 250.092 8.4709  7765.54    514.038  7765.54    514.038  0.0000     0.0000   250.092 8.4709  ?       ?       0.000000       8.470924 
1 1 1 -20 0   9  o 63.429  6.6087  500.121    100.217  500.121    100.217  0.0000     0.0000   63.429  6.6087  ?       ?       0.000000       6.608680 
1 1 1 -20 0   10 o 270.098 9.2406  9095.44    605.597  9095.44    605.597  0.0000     0.0000   270.098 9.2406  ?       ?       0.000000       9.240568 
1 1 1 -20 0   11 o 71.955  4.3889  634.379    76.260   518.309    107.297  752.866    108.408  64.499  6.9667  78.151  5.7575  -13.65211      9.037878 
1 1 1 -20 0   12 o 234.341 6.7440  6761.27    383.470  7358.50    465.161  5494.50    677.466  243.833 7.8623  206.301 13.610  37.53149       15.71802 
1 1 1 -20 0   13 o 192.872 7.1925  4589.94    336.600  5264.22    454.660  3772.14    500.714  205.513 9.1177  171.886 12.082  33.62688       15.13664 
1 1 1 -20 0   14 o 65.311  6.1770  528.556    96.726   606.381    128.088  425.285    147.550  69.611  7.7132  57.188  11.033  12.42225       13.46182 
1 1 1 -20 0   15 o 196.251 7.3573  4758.41    350.342  5630.90    473.159  3699.58    521.242  212.423 9.1800  169.605 12.759  42.81824       15.71861 
1 1 1 -20 0   16 o 18.380  7.1726  25.816     46.220   -4.5547    75.979   43.656     58.234   20.007  8.6214  21.666  8.1514  -1.658705      11.86488 
1 1 1 -20 0   17 o 144.584 4.8693  2557.55    170.824  3170.29    286.225  2218.55    212.897  160.112 7.3675  134.211 6.5376  25.90152       9.849856 
1 1 1 -20 0   18 o 95.650  4.0770  1116.74    94.623   1286.07    139.875  973.877    128.483  102.207 5.6623  88.815  5.9972  13.39158       8.247892 
1 1 1 -20 0   19 o 92.303  5.9438  1051.73    132.413  1223.23    174.848  821.104    202.757  99.149  7.3197  79.915  10.727  19.23405       12.98660 
1 1 1 -20 0   20 o 120.021 5.2414  1766.84    152.642  1951.38    187.099  1399.55    263.956  125.884 6.1254  104.650 10.538  21.23389       12.18934 
1 1 1 -20 0   21 o ?       ?       -318.9595  68.604   0.0000     0.0000   -318.9595  68.604   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 0   22 o 64.281  8.7033  526.713    132.258  0.0000     0.0000   526.713    132.258  ?       ?       64.281  8.7033  0.000000       8.703337 
1 1 1 -20 0   23 o 155.311 8.6576  3040.88    324.963  0.0000     0.0000   3040.88    324.963  ?       ?       155.311 8.6576  0.000000       8.657623 
1 1 1 -20 0   24 o 59.897  4.9394  443.663    71.146   428.437    109.263  454.871    93.742   57.986  7.9771  60.241  6.5172  -2.254944      10.30088 
1 1 1 -20 0   25 o 148.086 4.5049  2690.99    161.868  2675.15    228.912  2706.82    228.919  146.790 6.4270  147.677 6.3886  -0.8865509     9.062025 
1 1 1 -20 0   26 o 37.407  5.4546  176.270    48.052   191.413    64.002   156.705    72.747   38.569  7.1005  34.495  8.6943  4.074219       11.22536 
1 1 1 -20 0   27 o 23.697  7.0286  71.552     43.318   71.057     57.549   72.200     65.799   24.320  8.2139  24.974  8.7697  -0.6535931     12.01570 
1 1 1 -20 0   28 o 34.754  6.2811  154.985    51.018   131.812    67.901   185.025    77.310   31.586  8.6195  37.346  8.6942  -5.760344      12.24271 
1 1 1 -20 0   29 o 25.436  7.7228  83.143     51.849   99.622     60.347   36.679     101.332  27.682  8.3154  24.967  10.309  2.714043       13.24429 
1 1 1 -20 0   30 f 25.544  7.0208  85.174     44.861   85.632     59.330   84.563     68.549   25.937  8.3209  26.230  8.9641  -0.2929554     12.23083 
1 1 1 -20 0   31 o 119.736 4.2170  1768.22    122.516  1699.90    172.094  1838.42    174.458  116.208 6.1250  121.122 5.9361  -4.914574      8.529522 
1 1 1 -20 0   32 o 49.865  4.8258  311.389    57.658   274.104    77.561   357.448    86.206   45.884  7.2038  52.644  6.9161  -6.759911      9.986396 
1 1 1 -20 0   33 o 13.860  6.0251  -3.8938    37.768   -28.4242   47.177   39.883     63.023   13.759  6.2953  21.275  8.3545  -7.515367      10.46084 
1 1 1 -20 0   34 o 24.413  8.0486  75.985     55.311   17.146     65.169   227.544    104.593  19.583  8.1908  40.062  10.597  -20.47905      13.39322 
1 1 1 -20 0   35 o 19.113  7.3981  33.695     48.865   20.067     55.847   78.201     100.924  18.650  7.6711  27.142  10.597  -8.492508      13.08211 
1 1 1 -20 0   36 o 24.815  7.4241  81.431     48.175   88.193     65.004   73.191     71.755   26.072  8.7302  24.880  9.1054  1.191628       12.61446 
1 1 1 -20 0   37 o 69.786  4.6752  610.177    78.708   525.268    111.010  696.011    111.612  63.260  7.3703  73.626  6.3086  -10.36562      9.701531 
1 1 1 -20 0   38 o 29.400  8.0573  117.873    59.185   58.931     84.086   175.743    83.318   24.410  9.6296  35.321  9.5103  -10.91069      13.53423 
1 1 1 -20 0   39 o 16.840  7.3553  -3.6029    56.858   56.226     72.410   -99.8112   91.822   23.260  9.0050  16.870  8.0495  6.389378       12.07827 
1 1 1 -20 0   40 o 16.016  7.6174  -84.4606   80.874   -191.6432  152.864  -42.7983   95.305   20.392  9.8933  19.422  8.9089  0.9699593      13.31336 
1 1 1 -20 0   41 o 15.365  7.3222  -81.8255   75.484   -72.4565   155.109  -84.7330   86.406   23.618  11.017  16.651  7.9059  6.966862       13.56041 
1 1 1 -20 0   42 o 46.991  5.9820  287.698    66.660   238.290    91.957   342.414    96.770   40.677  9.4905  49.869  8.2882  -9.192265      12.60019 
1 1 1 -20 0   43 o 48.217  5.8567  303.161    67.113   171.883    92.223   450.948    97.850   33.906  10.301  58.050  7.0947  -24.14358      12.50761 
1 1 1 -20 0   44 o 29.409  8.1932  122.827    60.639   149.522    80.969   88.730     91.509   31.781  9.6511  26.369  10.147  5.412033       14.00383 
1 1 1 -20 0   45 o 46.611  6.0126  287.199    66.414   223.803    91.009   359.425    97.139   38.585  9.7243  50.573  8.1967  -11.98798      12.71806 
1 1 1 -20 0   46 f 26.651  8.2124  101.785    58.357   112.080    79.602   89.822     85.805   27.690  9.6501  25.862  9.8559  1.827450       13.79360 
1 1 1 -20 0   47 o 17.714  7.6582  9.6473     60.347   40.103     76.819   -39.4439   97.530   21.422  8.9206  19.030  8.8296  2.392305       12.55145 
1 1 1 -20 0   48 o 53.833  6.0528  387.832    77.692   400.250    103.863  372.057    117.065  52.546  8.4313  48.804  10.214  3.741779       13.24397 
1 1 1 -20 0   49 o 19.914  8.4945  25.955     72.393   31.993     85.798   11.031     134.882  21.369  9.1846  23.553  10.725  -2.184200      14.12065 
1 1 1 -20 0   50 o 13.506  6.4886  -71.3589   61.925   -27.4999   69.036   -251.9803  140.097  16.399  7.5442  17.124  8.5244  -0.7252522     11.38331 
1 1 1 -20 0   51 o 16.851  7.3386  5.9423     56.232   15.329     70.333   -10.6891   93.618   19.008  8.2425  19.729  8.9652  -0.7212696     12.17840 
1 1 1 -20 0   52 o 23.682  8.3801  78.304     60.181   81.676     74.483   71.964     102.136  24.404  9.2108  24.784  10.300  -0.3794804     13.81799 
1 1 1 -20 0   53 o 21.840  9.7100  18.503     103.280  84.192     206.663  -3.3640    119.238  28.626  13.126  21.968  10.035  6.657852       16.52253 
1 1 1 -20 0   54 o 35.965  12.184  237.907    126.637  -87.8639   238.485  365.836    149.448  25.334  12.306  43.888  13.064  -18.55360      17.94718 
1 1 1 -20 0   55 o 23.654  10.187  58.513     105.960  311.318    217.732  -19.9391   121.292  35.450  14.908  21.091  9.8066  14.35866       17.84414 
1 1 1 -20 1   1  o 103.571 4.3386  1310.52    109.031  1245.24    137.096  1422.88    179.852  100.564 5.6413  107.121 6.9572  -6.557076      8.956955 
1 1 1 -20 1   2  o 99.850  3.8908  1216.17    94.266   1168.28    131.934  1266.11    134.735  97.425  5.6048  101.463 5.4933  -4.037994      7.847879 
1 1 1 -20 1   3  o 98.474  4.0018  1183.06    95.617   1141.26    135.020  1225.12    135.427  96.253  5.8085  99.787  5.6162  -3.533638      8.079565 
1 1 1 -20 1   4  o 111.388 4.1121  1513.95    111.139  1516.95    158.997  1511.09    155.414  111.003 5.9247  110.821 5.7998  0.1815033      8.290948 
1 1 1 -20 1   5  o 74.885  4.2539  686.640    76.975   743.349    112.418  636.585    105.618  77.581  6.0191  71.735  6.1268  5.845993       8.588768 
1 1 1 -20 1   6  o 169.551 6.1223  3530.94    251.870  3705.25    356.576  3357.36    355.823  172.702 8.5092  163.954 8.9784  8.748245       12.37008 
1 1 1 -20 1   7  o 74.257  6.1133  681.569    109.170  681.569    109.170  0.0000     0.0000   74.257  6.1133  ?       ?       0.000000       6.113282 
1 1 1 -20 1   8  o 66.624  6.5888  551.206    105.118  551.206    105.118  0.0000     0.0000   66.624  6.5888  ?       ?       0.000000       6.588846 
1 1 1 -20 1   9  o 70.892  6.3743  622.519    108.473  622.519    108.473  0.0000     0.0000   70.892  6.3743  ?       ?       0.000000       6.374303 
1 1 1 -20 1   10 o 60.382  5.1348  449.254    74.517   386.109    99.022   531.705    113.152  55.420  7.5610  65.262  7.2691  -9.841621      10.48852 
1 1 1 -20 1   11 o 68.894  4.3568  581.657    72.455   559.211    107.018  600.654    98.450   67.093  6.6618  69.733  5.8732  -2.640076      8.881130 
1 1 1 -20 1   12 o 76.361  5.8614  719.451    107.774  741.036    140.135  688.203    168.616  77.078  7.5915  73.624  9.6728  3.453171       12.29614 
1 1 1 -20 1   13 o 166.491 6.6274  3411.93    267.732  3775.22    357.449  2947.66    404.088  174.349 8.4495  152.497 10.994  21.85266       13.86622 
1 1 1 -20 1   14 o 76.929  5.8971  730.486    109.237  711.135    142.003  758.537    170.966  75.393  7.8789  77.453  9.2821  -2.059372      12.17518 
1 1 1 -20 1   15 o 103.385 4.5133  1305.80    113.219  1433.37    147.498  1122.83    176.647  107.962 5.6502  94.937  7.7357  13.02528       9.579412 
1 1 1 -20 1   16 o 93.774  4.0569  1073.01    92.308   1270.70    136.776  907.656    125.092  101.642 5.5671  85.739  6.0518  15.90239       8.222958 
1 1 1 -20 1   17 o 104.103 4.0826  1322.74    103.126  1543.65    151.485  1131.93    140.785  112.172 5.5658  95.765  6.0905  16.40672       8.250532 
1 1 1 -20 1   18 o 104.870 4.2998  1343.51    109.411  1406.76    160.769  1288.93    149.324  106.732 6.2350  102.203 6.0484  4.529228       8.686698 
1 1 1 -20 1   19 o 35.000  8.9464  159.012    76.266   243.386    105.507  66.680     110.371  43.092  10.241  28.323  11.075  14.76916       15.08473 
1 1 1 -20 1   20 o 53.141  9.5320  364.975    118.391  0.0000     0.0000   364.975    118.391  ?       ?       53.141  9.5320  0.000000       9.531987 
1 1 1 -20 1   21 o 87.443  7.8684  959.718    165.158  0.0000     0.0000   959.718    165.158  ?       ?       87.443  7.8684  0.000000       7.868371 
1 1 1 -20 1   22 f 81.145  7.9937  829.886    155.345  0.0000     0.0000   829.886    155.345  ?       ?       81.145  7.9937  0.000000       7.993706 
1 1 1 -20 1   23 o 130.510 6.4830  2110.20    205.297  1938.16    344.861  2204.64    255.504  121.726 11.825  132.473 7.9862  -10.74718      14.26944 
1 1 1 -20 1   24 o 110.487 4.1131  1494.65    110.266  1462.63    154.706  1527.72    157.202  108.626 5.8916  111.038 5.8555  -2.411781      8.306506 
1 1 1 -20 1   25 o 80.206  4.1832  790.594    81.129   657.120    112.039  937.729    117.633  72.450  6.4405  86.943  5.6060  -14.49355      8.538585 
1 1 1 -20 1   26 o 114.291 4.2089  1602.79    116.719  1537.96    164.175  1669.04    165.973  111.108 6.1132  115.850 5.9242  -4.742180      8.512792 
1 1 1 -20 1   27 o 81.478  4.1848  817.341    82.454   758.432    114.443  880.930    118.901  77.835  6.1087  84.015  5.8695  -6.179893      8.471600 
1 1 1 -20 1   28 o 22.589  7.5342  61.877     48.416   65.074     55.382   51.516     99.712   23.425  8.0558  25.842  10.389  -2.417570      13.14649 
1 1 1 -20 1   29 o 20.285  7.3730  44.269     46.932   79.558     53.610   -71.5000   97.099   25.015  7.8974  18.945  8.7971  6.069681       11.82197 
1 1 1 -20 1   30 o 84.218  4.1877  874.067    85.574   785.466    118.658  970.093    123.530  78.866  6.2520  87.913  5.8240  -9.047173      8.544376 
1 1 1 -20 1   31 o 10.261  4.8873  -41.9609   33.535   10.132     41.002   -147.2236  58.285   15.757  6.5357  10.930  5.4502  4.826852       8.510010 
1 1 1 -20 1   32 o 52.018  4.8268  338.922    60.228   325.486    83.506   353.489    86.950   50.093  7.0666  52.249  7.0375  -2.156174      9.973117 
1 1 1 -20 1   33 o 29.492  7.8269  116.710    56.939   93.379     66.339   181.984    110.961  26.823  8.8132  35.916  11.364  -9.092621      14.38123 
1 1 1 -20 1   34 o 43.856  6.5452  249.612    67.518   207.558    79.763   355.914    126.815  39.022  8.6512  50.137  10.747  -11.11435      13.79675 
1 1 1 -20 1   35 o 34.702  7.7168  162.133    63.295   181.200    75.022   115.041    117.904  36.352  8.6337  30.550  11.575  5.801788       14.43995 
1 1 1 -20 1   36 o 43.873  5.3517  245.264    55.790   138.922    73.596   388.935    85.544   31.693  9.0950  54.797  6.5646  -23.10346      11.21663 
1 1 1 -20 1   37 f 29.309  7.8984  116.734    57.439   43.115     79.875   195.577    82.660   22.896  9.2654  37.442  9.1713  -14.54528      13.03687 
1 1 1 -20 1   38 o 15.732  6.9722  -11.2114   52.844   -8.6463    72.276   -14.1574   77.458   18.558  8.1929  18.867  8.3975  -0.3088226     11.73202 
1 1 1 -20 1   39 o 27.003  9.3007  96.107     73.837   768.312    175.201  -49.0725   81.421   74.025  10.011  17.558  8.1186  56.46765       12.88919 
1 1 1 -20 1   40 o 43.953  9.9596  277.665    103.760  15.105     191.605  386.613    123.424  28.869  13.000  51.938  10.158  -23.06936      16.49775 
1 1 1 -20 1   41 o 38.473  10.041  216.365    94.732   273.646    187.994  196.869    109.675  40.166  14.732  36.104  11.280  4.062683       18.55510 
1 1 1 -20 1   42 o 17.727  7.4452  14.959     54.193   40.278     74.284   -13.8480   79.237   21.805  8.8938  18.827  8.4282  2.977146       12.25293 
1 1 1 -20 1   43 o 16.922  7.2848  5.7528     54.134   -15.2039   74.419   29.303     78.890   18.106  8.1322  21.298  8.9660  -3.191984      12.10459 
1 1 1 -20 1   44 o 29.889  7.9943  126.843    59.105   137.566    80.888   114.559    86.577   30.462  9.7097  28.274  10.046  2.187222       13.97167 
1 1 1 -20 1   45 o 30.985  8.1315  138.065    61.905   64.490     86.783   214.288    88.331   24.048  9.6836  37.691  9.6247  -13.64323      13.65308 
1 1 1 -20 1   46 o 39.419  7.5346  218.227    69.439   168.275    92.023   284.280    105.819  32.691  10.350  42.692  10.328  -10.00114      14.62121 
1 1 1 -20 1   47 o 26.830  8.3772  105.280    60.497   121.215    78.840   82.461     94.345   28.280  9.6137  25.320  10.132  2.959726       13.96686 
1 1 1 -20 1   48 o 30.171  8.3703  135.268    63.428   137.683    81.628   131.586    100.768  29.701  9.7770  28.942  10.755  0.7592201      14.53498 
1 1 1 -20 1   49 o 17.327  7.7899  -8.9501    68.468   30.117     76.934   -157.7213  150.133  20.553  8.7617  19.699  9.6123  0.8538647      13.00631 
1 1 1 -20 1   50 o 24.080  9.2831  77.497     76.697   109.561    90.557   -3.8671    144.256  27.048  10.167  23.494  10.843  3.553915       14.86453 
1 1 1 -20 1   51 o 46.046  6.6525  290.875    72.171   112.541    93.758   550.201    113.062  27.364  10.333  62.486  7.6145  -35.12216      12.83526 
1 1 1 -20 1   52 o 27.970  8.5373  116.855    63.241   94.494     79.001   156.748    105.521  25.626  9.5230  30.799  11.075  -5.173628      14.60658 
1 1 1 -20 1   53 o 15.105  7.4364  -153.8298  96.201   -80.6143   211.423  -172.9462  108.032  24.583  11.854  15.839  7.8134  8.744520       14.19746 
1 1 1 -20 1   54 o 37.549  12.072  259.819    124.826  362.419    241.064  222.231    145.911  37.147  15.657  33.724  12.852  3.422726       20.25664 
1 1 1 -20 1   55 f 38.155  11.863  271.798    121.461  -6.7635    249.635  358.198    139.028  26.321  12.738  43.267  12.525  -16.94665      17.86456 
1 1 1 -20 2   1  o 83.359  3.8469  847.625    77.809   799.760    107.819  899.646    112.402  80.551  5.5504  85.478  5.4478  -4.927803      7.777240 
1 1 1 -20 2   2  o 89.935  4.0530  987.050    88.445   956.084    127.088  1016.13    123.164  88.015  5.9865  90.840  5.6154  -2.824844      8.207951 
1 1 1 -20 2   3  o 105.979 4.5425  1372.42    116.809  1344.52    150.485  1414.70    185.274  104.464 5.9617  106.799 7.1915  -2.334824      9.341264 
1 1 1 -20 2   4  f 117.834 4.7098  1697.26    134.661  1722.74    173.467  1658.61    213.619  118.274 6.0649  115.535 7.6636  2.739632       9.773157 
1 1 1 -20 2   5  o 109.245 4.6927  1458.58    124.391  1579.97    162.222  1285.35    193.789  113.305 5.9211  101.578 7.9253  11.72750       9.892941 
1 1 1 -20 2   6  o 88.369  4.2035  952.946    90.132   971.783    129.862  935.438    125.196  88.760  6.0661  87.102  5.9596  1.658211       8.503791 
1 1 1 -20 2   7  o 79.427  8.3044  790.552    157.677  790.552    157.677  0.0000     0.0000   79.427  8.3044  ?       ?       0.000000       8.304364 
1 1 1 -20 2   8  f 84.146  6.2248  874.454    126.192  874.454    126.192  0.0000     0.0000   84.146  6.2248  ?       ?       0.000000       6.224805 
1 1 1 -20 2   9  o 11.432  5.6163  -109.9665  53.944   -123.0565  74.103   -95.2102   78.678   14.221  6.8969  15.882  7.5419  -1.660958      10.21993 
1 1 1 -20 2   10 o 93.849  4.4196  1075.36    100.641  1002.56    139.780  1153.72    145.020  90.076  6.4379  96.717  6.2124  -6.640831      8.946543 
1 1 1 -20 2   11 o 84.390  8.2929  891.389    167.617  891.389    167.617  0.0000     0.0000   84.390  8.2929  ?       ?       0.000000       8.292950 
1 1 1 -20 2   12 f 88.984  6.2884  977.884    134.899  1216.52    181.140  680.736    202.133  98.916  7.6054  72.402  11.921  26.51467       14.14047 
1 1 1 -20 2   13 o 111.423 5.9895  1528.58    161.335  1514.97    215.404  1545.98    243.493  110.257 8.1086  111.001 9.1213  -0.7438965     12.20436 
1 1 1 -20 2   14 o 111.245 4.1425  1510.22    111.817  1674.78    163.670  1366.19    153.123  116.829 5.7737  105.302 6.0179  11.52679       8.339733 
1 1 1 -20 2   15 o 98.961  4.1291  1195.22    99.147   1277.03    146.443  1125.99    134.720  101.799 5.9547  95.599  5.8358  6.200661       8.337548 
1 1 1 -20 2   16 o 86.742  4.1073  918.363    86.446   1040.96    127.744  814.789    117.415  91.910  5.7572  81.214  6.0009  10.69578       8.315989 
1 1 1 -20 2   17 o 84.819  4.4365  881.539    90.988   997.916    135.576  786.167    122.733  89.835  6.2589  79.649  6.4047  10.18545       8.955122 
1 1 1 -20 2   18 o 89.297  5.3361  981.404    115.088  1064.99    140.252  809.102    201.367  92.790  6.2661  79.297  10.742  13.49345       12.43623 
1 1 1 -20 2   19 f 103.535 5.9134  1322.99    147.940  0.0000     0.0000   1322.99    147.940  ?       ?       103.535 5.9134  0.000000       5.913399 
1 1 1 -20 2   20 o 57.675  9.1494  427.038    123.765  0.0000     0.0000   427.038    123.765  ?       ?       57.675  9.1494  0.000000       9.149440 
1 1 1 -20 2   21 f 79.165  8.0015  789.697    151.587  0.0000     0.0000   789.697    151.587  ?       ?       79.165  8.0015  0.000000       8.001456 
1 1 1 -20 2   22 o 33.065  10.061  140.764    87.929   -489.0801  211.544  272.307    96.676   21.167  10.527  45.749  9.0297  -24.58229      13.86906 
1 1 1 -20 2   23 o 45.373  5.1386  256.336    55.575   182.196    73.562   354.921    84.826   37.387  8.3231  53.062  6.7405  -15.67514      10.71018 
1 1 1 -20 2   24 o 59.951  4.5793  443.746    66.110   438.806    90.545   449.386    96.749   59.127  6.4141  59.723  6.7975  -0.5962219     9.345906 
1 1 1 -20 2   25 o 35.969  5.9154  164.289    49.832   262.119    65.887   33.531     76.173   45.579  6.1115  22.485  9.0659  23.09429       10.93350 
1 1 1 -20 2   26 o 106.658 4.1505  1396.22    107.412  1342.55    150.341  1452.18    153.515  103.781 5.9959  108.001 5.8803  -4.220863      8.398110 
1 1 1 -20 2   27 o 81.270  4.1598  813.548    81.755   770.557    113.249  860.336    118.143  78.453  5.9946  82.957  5.9079  -4.503929      8.416587 
1 1 1 -20 2   28 f 32.883  7.3358  141.771    57.043   144.339    66.616   134.714    110.442  32.968  8.3257  32.629  11.367  0.3397179      14.08999 
1 1 1 -20 2   29 o 53.956  4.6937  362.528    60.839   327.252    81.985   405.759    90.759   50.505  6.8683  56.362  6.7721  -5.857033      9.645434 
1 1 1 -20 2   30 o 40.924  5.6543  212.848    54.646   167.149    72.173   274.244    83.654   35.273  8.5269  45.709  7.8239  -10.43599      11.57246 
1 1 1 -20 2   31 o 22.043  7.4631  59.180     47.509   89.257     62.473   17.929     73.164   26.331  8.5477  20.661  8.6627  5.670145       12.16988 
1 1 1 -20 2   32 o 122.905 4.3146  1869.74    128.668  1753.01    181.074  1988.80    182.869  117.485 6.3758  125.599 6.0005  -8.113113      8.755439 
1 1 1 -20 2   33 o 27.865  8.2004  103.945    59.161   106.493    70.104   97.641     110.271  28.301  9.0413  29.138  11.156  -0.8368187     14.36007 
1 1 1 -20 2   34 o 63.883  5.7970  519.021    88.878   574.149    107.363  398.973    158.432  66.698  6.7258  51.604  12.732  15.09422       14.39889 
1 1 1 -20 2   35 o 16.354  6.6122  17.586     40.642   60.442     51.259   -54.9686   66.695   22.275  7.7449  15.396  7.1962  6.879226       10.57211 
1 1 1 -20 2   36 o 17.311  7.4441  3.1267     56.413   5.8243     74.103   -0.5917    87.000   19.723  8.5066  20.763  9.0827  -1.039803      12.44422 
1 1 1 -20 2   37 o 37.026  7.3599  183.599    63.792   156.797    86.052   216.299    95.050   33.309  9.9124  38.949  10.005  -5.640125      14.08368 
1 1 1 -20 2   38 o 43.935  6.9992  255.184    72.111   206.639    90.468   339.766    119.416  38.092  9.7477  48.647  10.430  -10.55516      14.27596 
1 1 1 -20 2   39 o 17.101  7.8920  -44.6170   76.395   -16.8218   158.034  -53.0929   87.269   25.826  11.701  18.059  8.3695  7.767258       14.38650 
1 1 1 -20 2   40 o 19.780  8.6849  -1.0394    80.198   -108.3113  166.296  31.470     91.547   23.393  11.066  22.842  9.6393  0.5517139      14.67584 
1 1 1 -20 2   41 o 38.707  6.9521  201.208    62.894   240.113    86.989   158.594    91.040   41.161  8.9639  32.864  10.279  8.296871       13.63864 
1 1 1 -20 2   42 o 37.951  7.2070  196.058    63.938   258.270    86.425   120.843    95.028   42.771  8.6255  29.248  10.511  13.52277       13.59713 
1 1 1 -20 2   43 o 24.215  8.2658  78.924     58.285   63.193     79.271   97.436     85.993   23.740  9.3547  26.859  9.9446  -3.119740      13.65302 
1 1 1 -20 2   44 o 37.220  7.2100  191.144    62.762   232.000    86.357   145.402    91.374   39.733  9.1468  30.932  10.351  8.800755       13.81298 
1 1 1 -20 2   45 o 16.941  7.3721  4.0435     56.655   -95.6750   80.395   102.420    79.852   15.183  7.3183  26.775  9.6339  -11.59240      12.09835 
1 1 1 -20 2   46 o 22.325  8.3473  63.476     60.880   -8.0324    77.969   175.170    97.445   18.536  8.3246  32.971  10.673  -14.43545      13.53544 
1 1 1 -20 2   47 o 45.604  6.5788  284.012    70.692   250.459    92.573   330.948    109.489  40.306  9.6024  46.057  10.078  -5.750568      13.91987 
1 1 1 -20 2   48 o 38.744  9.4465  231.709    88.005   264.976    104.532  150.741    163.079  40.402  10.549  30.405  12.850  9.997576       16.62551 
1 1 1 -20 2   49 o 23.780  9.1579  74.983     74.583   120.456    84.033   -93.7781   161.886  27.947  9.9011  21.920  10.520  6.027382       14.44658 
1 1 1 -20 2   50 o 17.121  7.5171  3.3147     60.077   43.453     79.347   -50.6062   91.966   21.626  9.0411  17.878  8.3863  3.747969       12.33174 
1 1 1 -20 2   51 o 23.526  8.5120  76.353     62.449   1.7188     79.685   195.161    100.538  19.097  8.5073  34.273  10.815  -15.17625      13.75963 
1 1 1 -20 2   52 o 18.774  8.8119  -50.7178   101.793  -162.2801  203.620  -13.5472   117.533  22.732  11.114  21.435  9.8548  1.296333       14.85398 
1 1 1 -20 2   53 o 30.308  10.917  153.965    102.566  233.090    255.657  138.787    111.971  32.927  14.904  29.071  11.214  3.856874       18.65175 
1 1 1 -20 2   54 o 18.254  8.3538  -15.5711   83.134   -509.6762  232.620  56.777     89.013   19.251  9.7548  22.710  9.5402  -3.459551      13.64447 
1 1 1 -20 3   1  o 141.072 4.3355  2431.12    148.404  2435.84    207.379  2426.16    212.463  140.746 6.0724  140.415 6.2360  0.3313751      8.704163 
1 1 1 -20 3   2  o 111.218 4.1398  1509.83    111.716  1492.02    156.464  1528.35    159.564  110.069 5.8797  111.392 5.9249  -1.322929      8.347198 
1 1 1 -20 3   3  o 108.952 4.1227  1448.67    108.990  1345.44    152.487  1556.48    155.838  104.479 6.0408  112.485 5.7287  -8.006058      8.325223 
1 1 1 -20 3   4  o 128.214 4.3313  2007.14    134.745  2050.64    190.314  1963.42    190.804  129.200 6.0708  126.382 6.2221  2.817261       8.693033 
1 1 1 -20 3   5  o 114.421 4.2364  1597.93    117.617  1572.68    166.148  1623.30    166.523  112.996 6.0823  114.829 5.9975  -1.832932      8.541938 
1 1 1 -20 3   6  o 152.256 6.4545  2851.46    238.454  2851.46    238.454  0.0000     0.0000   152.256 6.4545  ?       ?       0.000000       6.454545 
1 1 1 -20 3   7  o 45.974  11.297  277.355    125.126  277.355    125.126  0.0000     0.0000   45.974  11.297  ?       ?       0.000000       11.29742 
1 1 1 -20 3   8  o 53.477  8.4080  362.962    105.499  362.962    105.499  0.0000     0.0000   53.477  8.4080  ?       ?       0.000000       8.407969 
1 1 1 -20 3   9  o 50.417  6.0789  316.477    72.865   376.041    100.874  251.490    105.366  54.602  7.8387  43.965  10.091  10.63747       12.77774 
1 1 1 -20 3   10 o 69.672  6.5638  602.358    109.655  656.773    148.536  537.183    162.561  72.212  8.6495  64.550  10.758  7.662369       13.80369 
1 1 1 -20 3   11 o 145.167 6.4195  2591.81    226.118  2883.56    300.703  2212.17    343.019  152.279 8.1681  132.101 10.796  20.17848       13.53774 
1 1 1 -20 3   12 o 103.567 6.0897  1321.94    152.357  1382.48    202.729  1243.38    230.951  105.337 7.9914  99.239  9.7158  6.097061       12.58008 
1 1 1 -20 3   13 o 121.005 4.2115  1787.19    123.653  1938.95    180.219  1652.20    169.974  125.670 5.9102  115.816 6.0696  9.853813       8.471797 
1 1 1 -20 3   14 f 104.149 4.0760  1323.63    103.005  1449.68    152.401  1217.62    139.761  108.524 5.8087  99.430  5.8184  9.093536       8.221563 
1 1 1 -20 3   15 o 104.759 4.1353  1339.59    105.114  1432.10    155.342  1261.46    142.762  107.804 5.9618  101.190 5.8393  6.613983       8.345087 
1 1 1 -20 3   16 o 137.920 4.4668  2324.76    149.483  2541.00    219.140  2136.58    204.428  143.677 6.2859  131.714 6.3965  11.96268       8.968172 
1 1 1 -20 3   17 o 150.713 5.5679  2788.44    203.611  3032.77    248.249  2286.22    355.909  156.834 6.5235  133.782 11.064  23.05266       12.84359 
1 1 1 -20 3   18 o 94.854  9.3423  1139.25    212.226  0.0000     0.0000   1139.25    212.226  ?       ?       94.854  9.3423  0.000000       9.342323 
1 1 1 -20 3   19 o 58.006  9.4576  433.161    128.526  0.0000     0.0000   433.161    128.526  ?       ?       58.006  9.4576  0.000000       9.457587 
1 1 1 -20 3   20 o 72.073  8.2077  656.700    140.974  0.0000     0.0000   656.700    140.974  ?       ?       72.073  8.2077  0.000000       8.207662 
1 1 1 -20 3   21 o 71.203  7.0678  635.504    120.495  936.786    234.414  527.310    140.475  84.475  11.755  64.027  9.3153  20.44836       14.99849 
1 1 1 -20 3   22 o 95.146  4.0564  1107.59    93.648   1094.08    130.347  1122.00    134.633  94.001  5.7424  95.159  5.8594  -1.157234      8.204138 
1 1 1 -20 3   23 o 47.227  4.9961  277.284    56.383   219.836    77.348   342.422    82.362   41.190  8.0278  52.093  6.6691  -10.90376      10.43659 
1 1 1 -20 3   24 o 37.716  5.8279  179.961    51.614   119.750    67.383   265.441    80.288   30.333  8.7020  45.458  7.5435  -15.12472      11.51652 
1 1 1 -20 3   25 o 56.479  4.5628  394.726    61.994   432.700    84.227   349.833    91.580   58.749  5.9926  52.298  7.4255  6.450726       9.541913 
1 1 1 -20 3   26 o 98.955  4.1564  1202.66    99.797   1065.39    139.255  1347.60    143.092  92.232  6.2595  104.051 5.6892  -11.81892      8.458673 
1 1 1 -20 3   27 o 124.715 5.9785  1939.48    180.915  1939.48    180.915  0.0000     0.0000   124.715 5.9785  ?       ?       0.000000       5.978498 
1 1 1 -20 3   28 o 72.672  4.7142  655.336    82.677   480.259    121.764  805.096    112.616  60.607  8.5149  80.123  5.8327  -19.51614      10.32108 
1 1 1 -20 3   29 o 34.242  6.4060  151.868    51.268   117.313    66.327   203.157    80.806   29.713  8.6655  38.888  8.7725  -9.175079      12.33075 
1 1 1 -20 3   30 o 48.566  4.8877  295.636    56.815   282.895    76.691   311.136    84.585   46.741  6.9757  48.896  7.3574  -2.155037      10.13863 
1 1 1 -20 3   31 o 75.512  4.2967  707.473    78.400   632.426    107.527  792.651    114.555  70.454  6.3585  79.124  6.0118  -8.669960      8.750521 
1 1 1 -20 3   32 o 52.155  6.1525  348.219    76.362   364.122    91.382   311.413    139.019  52.793  7.3318  46.049  12.234  6.744297       14.26295 
1 1 1 -20 3   33 o 41.059  6.9829  221.356    67.076   240.002    79.277   174.376    125.838  42.318  8.0142  35.188  12.141  7.129639       14.54720 
1 1 1 -20 3   34 o 65.653  5.7456  548.156    90.606   532.274    109.490  582.661    161.386  63.876  7.1893  64.312  10.720  -0.4356613     12.90712 
1 1 1 -20 3   35 o 79.972  4.7679  801.391    92.097   745.502    128.518  860.388    132.043  75.696  7.0794  81.618  6.7275  -5.921547      9.766157 
1 1 1 -20 3   36 o 56.714  5.3585  408.370    72.865   385.858    99.686   434.198    106.774  53.785  7.8714  57.069  7.9248  -3.283466      11.16966 
1 1 1 -20 3   37 o 65.743  5.4954  549.685    86.858   560.998    109.862  530.827    141.849  65.492  7.0231  61.683  9.8058  3.808765       12.06138 
1 1 1 -20 3   38 o 25.278  9.9232  67.752     88.882   -46.4390   168.982  111.427    104.507  25.621  11.793  29.370  10.945  -3.748117      16.08960 
1 1 1 -20 3   39 o 18.655  8.3569  -17.2200   78.050   -301.6985  163.413  66.856     88.838   19.034  9.4294  25.105  9.8998  -6.071035      13.67191 
1 1 1 -20 3   40 f 33.012  10.260  159.296    90.870   340.145    184.102  101.046    104.484  44.268  14.688  28.273  10.852  15.99456       18.26216 
1 1 1 -20 3   41 o 42.670  6.5575  241.932    65.721   164.379    90.715   327.602    95.344   33.291  10.236  48.548  8.3978  -15.25725      13.24001 
1 1 1 -20 3   42 o 10.386  5.1811  -129.7162  52.904   -85.2088   73.399   -177.8416  76.324   14.812  7.1021  12.524  6.2439  2.287244       9.456558 
1 1 1 -20 3   43 o 17.310  7.4251  8.9861     55.871   4.1344     76.068   14.669     82.329   19.284  8.4629  20.531  8.9105  -1.247269      12.28887 
1 1 1 -20 3   44 o 22.624  8.2515  65.782     58.856   33.562     78.682   106.713    88.684   21.288  8.9574  27.386  10.107  -6.098574      13.50513 
1 1 1 -20 3   45 o 45.044  8.6744  295.480    91.368   87.779     129.122  503.772    129.305  27.139  11.450  58.211  9.4811  -31.07214      14.86594 
1 1 1 -20 3   46 o 61.503  5.4441  496.195    80.404   396.735    108.105  619.330    120.285  51.883  8.9082  66.529  7.5871  -14.64573      11.70127 
1 1 1 -20 3   47 o 14.823  6.8312  -27.9533   56.942   -37.8909   72.502   -11.9551   91.990   16.328  7.5884  19.548  8.8844  -3.219711      11.68403 
1 1 1 -20 3   48 o 25.237  9.4106  90.825     77.277   92.636     87.403   84.340     165.395  25.629  9.9016  27.570  12.271  -1.941139      15.76771 
1 1 1 -20 3   49 o 39.805  9.1347  241.179    86.356   250.201    98.412   210.977    180.057  39.524  10.195  33.117  13.713  6.406490       17.08741 
1 1 1 -20 3   50 o 27.274  8.4632  110.497    61.853   32.064     86.878   191.118    88.081   21.439  9.2289  34.640  9.9525  -13.20106      13.57296 
1 1 1 -20 3   51 o 13.481  6.3057  -37.3900   51.373   -12.3622   68.946   -68.6313   77.030   17.184  7.7626  15.561  7.4104  1.623351       10.73183 
1 1 1 -20 3   52 o 31.748  10.800  168.886    99.490   437.503    249.736  118.212    108.469  40.520  16.388  27.744  10.940  12.77538       19.70394 
1 1 1 -20 3   53 o 29.694  10.917  149.012    103.317  364.235    252.260  105.633    113.252  36.657  15.752  26.720  10.949  9.937212       19.18369 
1 1 1 -20 4   1  o 72.407  4.2965  642.578    75.148   551.256    105.601  736.268    106.962  66.559  6.6269  77.229  5.7492  -10.66936      8.773189 
1 1 1 -20 4   2  o 40.874  5.4921  208.418    53.090   315.931    77.360   112.700    72.993   50.254  6.4963  29.953  9.1772  20.30093       11.24375 
1 1 1 -20 4   3  o 111.938 4.1840  1529.48    113.641  1635.30    159.352  1419.96    162.107  115.447 5.6887  107.278 6.2548  8.169334       8.454807 
1 1 1 -20 4   4  f 95.934  4.2060  1123.35    97.906   1177.72    138.408  1068.91    138.511  97.781  5.8607  93.061  6.1691  4.720306       8.509178 
1 1 1 -20 4   5  o 103.989 6.0978  1332.86    153.188  1332.86    153.188  0.0000     0.0000   103.989 6.0978  ?       ?       0.000000       6.097847 
1 1 1 -20 4   6  o 41.672  9.2428  224.770    91.010   224.770    91.010   0.0000     0.0000   41.672  9.2428  ?       ?       0.000000       9.242764 
1 1 1 -20 4   7  o 70.539  6.6008  617.561    111.663  617.561    111.663  0.0000     0.0000   70.539  6.6008  ?       ?       0.000000       6.600812 
1 1 1 -20 4   8  o 13.664  6.2988  -37.2827   48.457   -89.9818   74.185   1.9355     63.997   15.419  7.3223  18.820  8.0062  -3.400811      10.84964 
1 1 1 -20 4   9  o 68.523  6.5950  583.027    108.297  669.392    145.592  476.054    162.033  72.985  8.3728  60.436  11.469  12.54813       14.20010 
1 1 1 -20 4   10 o 50.049  7.6465  316.532    89.912   324.777    121.359  306.500    133.868  49.996  10.345  48.267  11.579  1.729053       15.52723 
1 1 1 -20 4   11 o 100.628 6.0522  1248.12    147.087  1307.94    194.227  1167.69    225.221  102.473 7.8717  96.101  9.7956  6.372154       12.56655 
1 1 1 -20 4   12 o 84.360  4.1952  868.632    85.871   1117.51    130.031  676.147    114.354  95.290  5.6491  73.857  6.4457  21.43219       8.570827 
1 1 1 -20 4   13 f 106.459 4.2256  1383.63    109.152  1634.16    162.166  1176.10    147.592  115.233 5.8187  97.594  6.2658  17.63899       8.550823 
1 1 1 -20 4   14 o 29.867  7.1202  114.516    50.871   237.733    90.830   58.203     61.405   42.888  9.0146  23.451  8.4470  19.43726       12.35371 
1 1 1 -20 4   15 o 78.815  4.3318  761.086    82.522   956.617    126.646  616.815    108.786  88.026  5.9647  70.487  6.4314  17.53909       8.771583 
1 1 1 -20 4   16 o 116.520 5.4898  1666.15    155.211  1874.14    191.357  1266.18    265.363  123.160 6.4256  99.263  11.214  23.89796       12.92480 
1 1 1 -20 4   17 o 52.309  7.7777  346.762    95.713   330.930    132.493  364.041    138.418  50.092  11.184  52.584  11.192  -2.491634      15.82232 
1 1 1 -20 4   18 o 23.295  9.6725  21.172     89.939   0.0000     0.0000   21.172     89.939   ?       ?       23.295  9.6725  0.000000       9.672507 
1 1 1 -20 4   19 o 81.475  7.9298  834.827    154.779  0.0000     0.0000   834.827    154.779  ?       ?       81.475  7.9298  0.000000       7.929836 
1 1 1 -20 4   20 f 86.621  6.7707  935.289    141.173  1661.47    276.573  679.422    164.170  113.919 10.111  72.752  9.5292  41.16734       13.89370 
1 1 1 -20 4   21 o 90.048  4.4472  993.622    97.167   1093.99    143.437  908.497    132.093  93.806  6.3390  85.420  6.4202  8.386436       9.022266 
1 1 1 -20 4   22 o 13.997  6.2201  -14.3983   42.335   -29.4906   54.485   8.5953     67.251   15.127  6.8607  19.612  8.2683  -4.484960      10.74404 
1 1 1 -20 4   23 o 86.212  4.1865  911.068    87.576   820.801    121.895  1007.37    125.906  81.100  6.2424  90.058  5.7925  -8.958252      8.515952 
1 1 1 -20 4   24 f 63.173  4.4419  492.635    67.654   536.726    92.842   442.714    98.789   65.536  5.9018  59.102  7.0265  6.433937       9.176221 
1 1 1 -20 4   25 o 76.777  4.2071  726.079    78.076   695.555    107.451  760.223    113.642  74.566  5.9894  77.949  6.0560  -3.383087      8.517513 
1 1 1 -20 4   26 o 64.900  5.1353  524.292    80.208   500.549    92.767   594.604    159.639  63.062  6.1405  66.856  10.161  -3.793530      11.87208 
1 1 1 -20 4   27 o 44.412  5.9627  250.286    62.633   229.535    72.482   311.456    124.448  42.024  7.3775  47.525  11.008  -5.500957      13.25167 
1 1 1 -20 4   28 o 30.538  6.9746  122.410    50.547   164.434    67.169   67.535     76.754   35.170  8.0456  25.078  9.3733  10.09141       12.35276 
1 1 1 -20 4   29 o 72.625  4.7420  656.388    83.103   631.993    103.027  701.820    140.598  70.696  6.0648  73.455  8.0187  -2.758522      10.05393 
1 1 1 -20 4   30 o 14.385  6.2449  -3.6021    40.462   -19.0366   50.714   23.430     67.115   14.987  6.7234  20.366  8.3971  -5.379569      10.75710 
1 1 1 -20 4   31 o 55.522  6.1758  393.951    81.789   390.569    99.248   401.111    144.383  54.535  7.7158  52.939  11.564  1.595467       13.90167 
1 1 1 -20 4   32 f 35.700  7.5059  170.117    62.955   195.652    73.930   102.747    120.083  38.037  8.2480  29.931  11.594  8.105616       14.22860 
1 1 1 -20 4   33 o 41.678  6.9472  228.169    67.783   235.625    79.985   209.170    127.678  41.792  8.1805  37.787  12.215  4.005642       14.70147 
1 1 1 -20 4   34 f 37.737  6.0084  184.585    53.171   171.108    71.818   200.933    79.098   35.314  8.4870  38.216  8.7224  -2.901978      12.17001 
1 1 1 -20 4   35 o 44.588  6.5468  259.302    68.720   213.792    92.772   314.633    102.294  38.847  9.8332  47.747  9.1628  -8.900211      13.44056 
1 1 1 -20 4   36 o 63.851  5.1821  515.853    79.592   543.589    111.183  486.699    113.990  64.334  7.2488  60.367  7.9776  3.967201       10.77907 
1 1 1 -20 4   37 o 41.197  7.0620  225.477    68.053   217.912    91.513   234.835    101.787  39.124  9.6904  40.262  10.359  -1.137928      14.18509 
1 1 1 -20 4   38 o 25.578  9.9568  72.550     88.899   81.932     171.165  69.084     104.031  30.459  13.029  26.251  10.591  4.208223       16.79052 
1 1 1 -20 4   39 o 47.862  9.3683  324.228    104.903  561.907    198.974  232.730    123.454  58.382  14.186  38.794  11.943  19.58846       18.54379 
1 1 1 -20 4   40 o 53.448  5.8938  371.007    75.163   302.399    105.749  441.055    106.853  45.629  9.8409  56.882  7.9600  -11.25307      12.65722 
1 1 1 -20 4   41 o 15.571  7.0048  -16.5896   55.474   70.097     74.807   -122.5025  82.688   24.163  9.2040  14.794  7.2001  9.368977       11.68563 
1 1 1 -20 4   42 o 20.084  8.0211  38.068     59.008   93.480     85.059   -13.3403   81.929   26.448  9.8710  18.962  8.5234  7.485771       13.04160 
1 1 1 -20 4   43 o 38.559  7.1279  204.612    64.231   175.539    88.829   236.471    92.987   33.817  10.073  39.594  9.7448  -5.776546      14.01512 
1 1 1 -20 4   44 o 39.639  6.9221  215.934    64.155   133.718    90.003   300.855    91.471   29.593  10.264  45.616  8.5792  -16.02317      13.37745 
1 1 1 -20 4   45 o 33.531  7.8369  161.970    62.615   180.122    86.864   142.335    90.342   33.882  9.9268  30.127  10.291  3.755196       14.29841 
1 1 1 -20 4   46 o 54.207  5.8031  390.881    75.141   520.588    103.061  243.687    109.789  61.412  7.0437  38.100  11.159  23.31240       13.19648 
1 1 1 -20 4   47 o 32.715  9.6954  168.982    82.451   114.520    93.689   356.033    173.628  27.462  10.338  41.530  14.265  -14.06806      17.61684 
1 1 1 -20 4   48 o 31.815  9.5739  159.189    79.944   153.631    92.600   175.459    158.420  30.756  10.419  31.464  12.929  -0.7082500     16.60435 
1 1 1 -20 4   49 o 39.634  7.0472  219.873    65.289   204.277    90.024   237.177    94.827   35.763  9.9898  38.600  10.032  -2.837887      14.15788 
1 1 1 -20 4   50 o 21.829  8.1127  61.895     57.335   -25.8157   78.404   162.718    84.060   17.540  8.0583  32.006  9.8554  -14.46590      12.73052 
1 1 1 -20 4   51 o 25.003  10.027  83.043     92.643   114.675    239.174  77.459     100.488  29.946  13.871  24.916  10.274  5.030123       17.26141 
1 1 1 -20 4   52 o 39.197  10.841  259.333    106.569  329.372    264.664  245.780    116.424  35.505  15.676  37.138  11.625  -1.633553      19.51631 
1 1 1 -20 4   53 o 40.043  11.209  282.013    113.210  454.416    267.011  244.228    125.002  38.486  16.362  35.818  12.106  2.667446       20.35382 
1 1 1 -20 5   1  o 21.589  7.4547  52.583     47.450   78.506     69.701   30.193     64.778   26.174  9.0352  21.140  8.4163  5.033709       12.34789 
1 1 1 -20 5   2  o 137.432 4.3932  2307.43    146.498  2273.25    203.728  2344.04    210.811  135.952 6.1759  138.016 6.2951  -2.063980      8.818730 
1 1 1 -20 5   3  o 198.898 5.0755  4843.29    244.949  4814.72    343.227  4872.94    349.682  197.426 7.1649  198.570 7.2576  -1.143936      10.19851 
1 1 1 -20 5   4  o 128.816 6.0565  2038.90    189.304  2038.90    189.304  0.0000     0.0000   128.816 6.0565  ?       ?       0.000000       6.056542 
1 1 1 -20 5   5  o 113.589 6.0769  1589.59    166.880  1589.59    166.880  0.0000     0.0000   113.589 6.0769  ?       ?       0.000000       6.076911 
1 1 1 -20 5   6  o 81.079  6.3476  813.250    123.880  813.250    123.880  0.0000     0.0000   81.079  6.3476  ?       ?       0.000000       6.347635 
1 1 1 -20 5   7  o 151.184 4.5159  2792.24    165.658  2853.80    233.438  2729.79    235.122  152.339 6.3153  148.931 6.5065  3.407974       9.067389 
1 1 1 -20 5   8  o 142.186 6.3549  2486.52    219.247  2832.52    289.957  2024.61    335.027  150.987 7.9425  126.156 11.056  24.83049       13.61347 
1 1 1 -20 5   9  o 82.033  6.2258  831.801    122.996  885.542    164.053  762.817    185.869  84.120  8.1392  77.354  10.148  6.766678       13.00855 
1 1 1 -20 5   10 o 108.666 5.9368  1454.18    155.941  1510.89    203.276  1373.09    243.096  110.239 7.6468  104.291 9.7185  5.948746       12.36617 
1 1 1 -20 5   11 f 120.963 4.7057  1788.91    138.113  2146.29    234.160  1598.24    171.032  131.571 7.3643  113.847 6.2149  17.72376       9.636327 
1 1 1 -20 5   12 o 187.505 4.9468  4302.54    225.063  4793.40    320.439  3824.65    316.179  197.206 6.6967  175.845 7.4104  21.36099       9.987972 
1 1 1 -20 5   13 o 119.394 4.2018  1740.50    121.725  1824.94    177.200  1665.06    167.500  121.855 5.9932  116.258 5.9579  5.597321       8.450679 
1 1 1 -20 5   14 o 24.057  7.2596  72.236     45.919   26.065     83.011   92.594     55.121   22.916  9.3807  27.047  7.9030  -4.130301      12.26597 
1 1 1 -20 5   15 o 43.404  8.0280  241.146    81.435   211.502    103.144  290.207    132.690  40.177  10.473  46.806  11.712  -6.628815      15.71179 
1 1 1 -20 5   16 o 98.190  5.4119  1186.82    128.441  1151.45    158.501  1254.46    219.201  96.301  6.8275  99.649  9.1686  -3.348122      11.43142 
1 1 1 -20 5   17 o 44.808  10.686  264.741    114.548  0.0000     0.0000   264.741    114.548  ?       ?       44.808  10.686  0.000000       10.68584 
1 1 1 -20 5   18 o 80.031  7.9170  805.584    151.723  0.0000     0.0000   805.584    151.723  ?       ?       80.031  7.9170  0.000000       7.917020 
1 1 1 -20 5   19 o 121.444 6.4511  1829.14    189.414  2633.03    338.185  1461.69    228.641  143.856 9.7462  107.481 8.8456  36.37431       13.16180 
1 1 1 -20 5   20 o 86.886  6.7109  941.803    140.383  593.032    280.328  1058.55    162.185  63.944  17.540  91.903  7.3341  -27.95916      19.01161 
1 1 1 -20 5   21 o 53.581  4.9199  355.706    63.250   360.667    87.198   350.197    91.882   53.437  6.8853  52.480  7.4227  0.9573746      10.12441 
1 1 1 -20 5   22 o 104.050 4.1376  1326.59    104.460  1187.91    146.429  1470.30    149.063  97.674  6.2108  108.934 5.6590  -11.26058      8.402296 
1 1 1 -20 5   23 o 52.744  4.7583  344.996    60.241   245.530    80.157   474.083    91.316   43.541  7.8771  61.477  6.2066  -17.93547      10.02850 
1 1 1 -20 5   24 o 86.085  4.1726  909.827    87.157   873.878    121.596  947.812    124.991  83.631  6.0328  87.148  5.9465  -3.517174      8.470820 
1 1 1 -20 5   25 o 44.891  5.2469  252.667    56.073   206.670    74.056   314.467    85.841   39.715  7.9622  49.443  7.3814  -9.727367      10.85731 
1 1 1 -20 5   26 o 31.389  7.4763  129.630    56.127   125.198    63.455   145.563    120.313  30.744  8.3088  33.792  11.859  -3.048264      14.48003 
1 1 1 -20 5   27 o 82.615  4.2680  843.429    85.264   821.859    118.143  866.875    123.177  80.801  6.0703  82.950  6.1640  -2.148308      8.651254 
1 1 1 -20 5   28 o 60.300  4.5365  452.133    65.889   401.416    89.857   511.116    96.904   55.972  6.7527  63.409  6.3853  -7.436527      9.293565 
1 1 1 -20 5   29 o 41.425  5.5043  217.994    53.956   249.721    71.219   175.250    82.664   43.853  6.9229  35.770  9.4011  8.083317       11.67504 
1 1 1 -20 5   30 o 23.224  7.1573  69.631     44.323   121.586    57.951   -3.6047    68.803   30.105  7.8517  18.615  8.1118  11.49007       11.28940 
1 1 1 -20 5   31 o 53.321  6.4308  365.882    81.522   397.156    97.258   292.003    149.483  55.053  7.4740  44.053  13.054  10.99988       15.04245 
1 1 1 -20 5   32 o 21.515  7.9219  51.418     54.432   42.530     61.588   83.134     116.342  21.270  8.2854  28.361  11.283  -7.090235      13.99823 
1 1 1 -20 5   33 o 22.305  7.3445  63.053     46.062   76.730     58.829   41.386     74.048   24.547  8.3047  22.290  8.9558  2.256950       12.21368 
1 1 1 -20 5   34 o 82.742  4.7233  857.638    94.436   764.693    129.337  963.772    138.209  76.664  7.0312  86.431  6.6410  -9.767052      9.671675 
1 1 1 -20 5   35 o 36.338  7.6131  178.130    64.975   234.289    87.050   107.480    97.637   41.098  8.9803  28.966  10.618  12.13259       13.90657 
1 1 1 -20 5   36 o 20.924  8.2010  41.267     60.626   55.253     85.239   26.950     86.247   24.133  9.6396  22.253  9.3718  1.879507       13.44437 
1 1 1 -20 5   37 o 31.284  10.441  138.179    92.970   88.556     177.296  156.998    109.186  31.075  13.275  33.012  11.313  -1.937115      17.44196 
1 1 1 -20 5   38 o 50.597  8.7186  354.229    103.173  191.033    201.158  412.484    120.185  36.064  14.664  54.079  9.5062  -18.01429      17.47604 
1 1 1 -20 5   39 o 43.045  7.2663  249.747    73.191   263.447    92.714   227.088    119.233  43.043  9.1587  38.257  11.730  4.785343       14.88239 
1 1 1 -20 5   40 o 31.627  8.4433  142.018    66.008   91.755     87.583   208.107    100.430  26.635  10.001  37.029  10.624  -10.39376      14.59101 
1 1 1 -20 5   41 o 29.025  8.3716  120.086    62.213   116.532    85.228   124.139    91.022   28.530  9.9830  29.267  10.311  -0.7367821     14.35222 
1 1 1 -20 5   42 o 45.067  6.4160  271.720    68.178   260.387    94.502   284.020    98.456   41.876  9.5166  43.775  9.5389  -1.899162      13.47432 
1 1 1 -20 5   43 o 38.351  7.3926  205.153    66.298   195.829    90.175   216.123    97.809   35.584  10.019  37.079  10.432  -1.495754      14.46409 
1 1 1 -20 5   44 o 47.197  6.3465  300.310    70.839   246.770    101.581  350.998    98.838   39.401  10.453  49.175  8.5965  -9.774044      13.53397 
1 1 1 -20 5   45 o 22.220  8.2759  64.010     59.730   -72.7747   81.262   224.758    88.094   15.947  7.5988  38.149  9.5414  -22.20265      12.19750 
1 1 1 -20 5   46 o 28.700  9.7438  128.126    80.986   162.790    91.754   5.9017     172.291  31.664  10.363  25.174  11.699  6.489697       15.62893 
1 1 1 -20 5   47 o 39.509  9.3045  240.055    87.725   184.591    100.046  424.555    182.469  33.214  10.819  45.108  14.605  -11.89426      18.17559 
1 1 1 -20 5   48 o 21.620  8.2112  59.056     59.429   22.452     79.374   105.754    89.653   20.226  8.7636  26.677  10.096  -6.451622      13.36934 
1 1 1 -20 5   49 o 36.385  15.101  299.987    219.087  228.510    407.820  328.983    259.753  33.484  16.224  36.532  15.841  -3.048164      22.67539 
1 1 1 -20 5   50 o 36.073  9.9088  207.417    89.391   390.675    252.339  181.120    95.590   38.817  16.166  33.120  10.555  5.696697       19.30702 
1 1 1 -20 5   51 o 35.792  10.887  217.569    102.980  -31.7761   257.170  265.186    112.383  26.904  12.998  39.292  11.228  -12.38750      17.17563 
1 1 1 -20 5   52 o 19.319  8.6936  1.3696     85.519   26.477     237.556  -2.3687    91.665   27.059  12.921  19.647  8.9059  7.412415       15.69301 
1 1 1 -20 6   1  o 228.480 5.5250  6405.91    306.300  6240.95    429.566  6576.53    436.874  224.199 7.8965  230.197 7.8215  -5.998383      11.11442 
1 1 1 -20 6   2  o 117.422 4.3039  1684.12    122.624  1664.69    169.963  1705.21    177.090  116.210 6.0485  117.564 6.2303  -1.353470      8.683389 
1 1 1 -20 6   3  o 127.039 4.3413  1971.26    133.819  1856.41    186.432  2093.33    192.196  122.676 6.2843  130.493 6.0700  -7.817047      8.737144 
1 1 1 -20 6   4  o 154.063 6.4636  2922.34    241.624  2922.34    241.624  0.0000     0.0000   154.063 6.4636  ?       ?       0.000000       6.463645 
1 1 1 -20 6   5  o 189.933 7.1210  4454.70    328.175  4454.70    328.175  0.0000     0.0000   189.933 7.1210  ?       ?       0.000000       7.121005 
1 1 1 -20 6   6  f 116.214 4.3302  1649.27    122.103  1644.78    172.831  1653.74    172.528  115.505 6.1893  115.828 6.1609  -0.3228989     8.732924 
1 1 1 -20 6   7  o 44.779  10.094  261.247    107.051  246.016    122.722  309.722    218.934  43.272  11.494  48.756  16.010  -5.483734      19.70870 
1 1 1 -20 6   8  o 122.229 6.2652  1842.03    185.187  1875.27    237.081  1790.00    296.590  122.713 8.0062  118.840 10.390  3.873505       13.11691 
1 1 1 -20 6   9  o 183.799 7.0304  4169.92    313.538  4435.92    416.774  3823.07    475.905  188.476 9.1134  173.279 11.382  15.19652       14.58121 
1 1 1 -20 6   10 o 143.971 4.4167  2532.19    154.291  2882.18    221.936  2204.80    214.648  153.162 5.9719  133.770 6.6131  19.39182       8.910450 
1 1 1 -20 6   11 o 113.670 4.1352  1577.25    114.054  1794.38    166.769  1386.45    156.329  120.912 5.6844  106.021 6.1027  14.89005       8.339942 
1 1 1 -20 6   12 o 107.738 4.1066  1416.98    107.352  1543.48    157.307  1306.71    146.868  111.954 5.8109  102.960 5.9035  8.993484       8.283599 
1 1 1 -20 6   13 o 212.825 5.3389  5554.27    275.702  6401.88    392.155  4725.87    387.686  227.557 7.1024  194.910 8.1975  32.64738       10.84632 
1 1 1 -20 6   14 o 135.534 5.3714  2253.59    176.644  2500.58    212.352  1698.74    318.275  142.526 6.1404  114.887 11.575  27.63908       13.10301 
1 1 1 -20 6   15 o 80.601  5.5608  801.615    108.088  867.633    132.387  669.624    187.193  83.596  6.5800  71.820  11.100  11.77602       12.90355 
1 1 1 -20 6   16 o 81.617  7.8113  835.821    152.802  0.0000     0.0000   835.821    152.802  ?       ?       81.617  7.8113  0.000000       7.811264 
1 1 1 -20 6   17 o 93.018  7.7873  1084.74    174.143  0.0000     0.0000   1084.74    174.143  ?       ?       93.018  7.7873  0.000000       7.787314 
1 1 1 -20 6   18 o 56.558  9.5579  414.346    126.491  0.0000     0.0000   414.346    126.491  ?       ?       56.558  9.5579  0.000000       9.557926 
1 1 1 -20 6   19 o 17.255  7.8800  -44.7427   73.475   -554.1393  213.515  23.682     78.254   20.432  10.225  22.085  9.0820  -1.653219      13.67614 
1 1 1 -20 6   20 o 82.740  4.2067  840.570    84.177   785.379    119.781  894.423    118.321  79.391  6.2690  84.917  5.7769  -5.525688      8.524813 
1 1 1 -20 6   21 o 112.159 4.2398  1542.09    115.384  1470.13    163.288  1613.86    163.068  108.703 6.2166  114.041 5.9134  -5.338531      8.579904 
1 1 1 -20 6   22 o 84.430  4.2060  874.426    86.166   945.080    122.206  804.574    121.510  87.160  5.8117  80.217  6.2934  6.943451       8.566358 
1 1 1 -20 6   23 o 48.168  5.1340  289.571    59.078   285.878    80.648   293.848    86.788   47.213  7.2736  47.708  7.7642  -0.4959412     10.63899 
1 1 1 -20 6   24 o 13.103  5.9825  -26.1638   42.320   16.088     54.525   -90.1854   67.118   18.391  7.5740  14.181  6.7974  4.209869       10.17692 
1 1 1 -20 6   25 o 79.592  5.0540  787.199    97.099   803.156    113.316  743.110    188.355  80.070  5.8735  74.353  10.753  5.717430       12.25228 
1 1 1 -20 6   26 o 61.328  4.5252  466.788    66.863   467.026    89.957   466.494    99.946   60.761  6.1880  60.413  6.9445  0.3483391      9.301506 
1 1 1 -20 6   27 o 60.069  4.5894  448.829    66.384   421.090    91.119   480.207    96.912   57.395  6.6671  61.358  6.6139  -3.963203      9.391201 
1 1 1 -20 6   28 o 116.050 4.2605  1663.80    119.969  1526.18    167.798  1807.71    171.590  109.805 6.3247  119.983 5.8940  -10.17722      8.645267 
1 1 1 -20 6   29 o 20.668  7.1334  50.857     43.445   50.428     55.225   51.553     70.374   21.573  7.9729  22.986  8.8836  -1.413612      11.93672 
1 1 1 -20 6   30 o 57.022  5.9887  414.637    81.621   350.066    97.690   563.942    148.548  51.323  8.1144  64.195  9.8515  -12.87160      12.76302 
1 1 1 -20 6   31 o 27.062  8.1052  97.880     57.397   146.859    66.808   -40.1728   112.162  32.815  8.3654  21.533  9.7959  11.28214       12.88169 
1 1 1 -20 6   32 f 14.228  6.4202  -19.9100   47.013   -24.7710   53.289   -2.8427    99.853   14.954  6.7833  21.989  9.6719  -7.034710      11.81348 
1 1 1 -20 6   33 o 69.542  5.1710  610.370    86.630   663.764    119.563  551.362    125.692  71.427  6.9883  64.205  8.2597  7.221939       10.81941 
1 1 1 -20 6   34 o 76.711  4.9434  740.342    91.522   715.789    125.451  768.278    133.817  74.072  7.0658  76.590  7.2887  -2.518059      10.15132 
1 1 1 -20 6   35 o 108.264 4.5733  1463.99    120.137  1519.55    166.089  1403.03    173.984  108.736 6.3224  103.877 6.9428  4.859016       9.390137 
1 1 1 -20 6   36 o 56.034  8.1292  423.962    107.298  600.902    190.975  342.343    129.706  62.375  13.038  48.021  11.317  14.35368       17.26478 
1 1 1 -20 6   37 f 39.357  9.8111  223.408    93.363   354.143    186.223  179.515    107.903  45.513  14.757  34.777  11.228  10.73673       18.54258 
1 1 1 -20 6   38 o 17.241  7.9451  -41.1306   77.009   19.920     162.859  -58.7126   87.398   27.146  12.123  17.722  8.2679  9.424738       14.67362 
1 1 1 -20 6   39 o 17.216  7.4155  5.4662     56.159   38.834     76.686   -33.1245   82.470   21.869  8.9915  18.194  8.3241  3.674875       12.25312 
1 1 1 -20 6   40 o 22.873  8.3346  65.520     60.028   103.487    82.151   22.025     87.927   27.345  9.7787  21.594  9.2900  5.751211       13.48803 
1 1 1 -20 6   41 o 49.975  6.2657  331.478    74.307   265.551    99.424   414.897    111.838  42.039  9.9090  53.854  8.8675  -11.81464      13.29741 
1 1 1 -20 6   42 o 26.489  8.6257  100.485    63.599   169.594    88.916   28.091     91.005   33.123  10.126  21.914  9.4395  11.20883       13.84305 
1 1 1 -20 6   43 o 25.686  8.5599  94.574     62.499   54.414     90.326   131.462    86.569   23.340  9.6923  29.316  10.072  -5.976099      13.97824 
1 1 1 -20 6   44 o 17.841  7.6793  12.699     60.138   48.719     85.043   -23.3293   85.053   22.472  9.3743  18.423  8.4378  4.049181       12.61241 
1 1 1 -20 6   45 o 46.392  6.6605  295.543    72.825   303.380    102.155  287.444    103.844  44.180  9.7873  42.532  10.195  1.647858       14.13266 
1 1 1 -20 6   46 o 23.222  9.2367  66.939     77.957   50.927     87.899   125.957    168.754  22.616  9.4894  29.207  12.717  -6.590723      15.86689 
1 1 1 -20 6   47 o 20.457  8.7312  30.010     76.564   -10.2995   84.448   216.160    181.474  18.854  8.5472  33.183  13.756  -14.32936      16.19478 
1 1 1 -20 6   48 o 46.961  6.4449  301.122    71.501   324.197    96.916   273.560    105.918  46.551  8.9048  40.935  10.585  5.616089       13.83269 
1 1 1 -20 6   49 o 43.556  6.8593  263.211    70.094   306.984    94.663   210.081    104.291  45.230  8.9425  35.260  10.997  9.969707       14.17427 
1 1 1 -20 6   50 o 17.165  8.0084  -41.0144   82.003   -202.8428  224.530  -16.1063   88.088   22.889  11.286  18.873  8.6225  4.016788       14.20314 
1 1 1 -20 6   51 o 36.813  10.875  232.393    103.865  211.267    256.996  236.518    113.551  31.868  14.622  36.394  11.494  -4.525879      18.59886 
1 1 1 -20 6   52 o 21.303  9.1962  38.523     86.756   -430.1698  239.152  109.549    93.098   20.149  10.177  26.339  10.207  -6.190233      14.41392 
1 1 1 -20 7   1  o 72.081  4.3637  637.214    75.961   610.439    105.977  665.505    108.935  70.135  6.2945  73.281  6.1843  -3.145531      8.824187 
1 1 1 -20 7   2  o 62.948  4.6306  487.145    70.231   493.215    98.471   480.861    100.195  62.935  6.5441  62.080  6.7610  0.8549042      9.409380 
1 1 1 -20 7   3  o 80.370  6.1024  798.761    118.114  798.761    118.114  0.0000     0.0000   80.370  6.1024  ?       ?       0.000000       6.102400 
1 1 1 -20 7   4  o 81.781  6.3933  828.262    125.856  828.262    125.856  0.0000     0.0000   81.781  6.3933  ?       ?       0.000000       6.393313 
1 1 1 -20 7   5  o 78.840  6.6220  771.162    125.504  771.162    125.504  0.0000     0.0000   78.840  6.6220  ?       ?       0.000000       6.621984 
1 1 1 -20 7   6  o 51.575  9.3658  342.246    112.889  365.754    133.225  282.389    212.589  52.953  10.736  46.936  15.787  6.017498       19.09218 
1 1 1 -20 7   7  o 46.457  9.4139  279.175    102.483  270.765    124.631  296.736    180.087  45.341  11.354  47.345  14.397  -2.003437      18.33504 
1 1 1 -20 7   8  o 82.863  6.7298  851.956    134.141  824.355    166.278  903.400    227.004  80.937  8.5986  83.655  11.487  -2.717667      14.34857 
1 1 1 -20 7   9  o 85.150  4.3565  887.990    89.707   1032.32    132.099  764.467    122.207  91.460  5.9856  78.528  6.4713  12.93219       8.815038 
1 1 1 -20 7   10 o 66.195  4.7134  538.605    75.210   675.467    114.559  434.930    99.707   73.779  6.4645  58.922  7.1182  14.85701       9.615548 
1 1 1 -20 7   11 o 54.948  5.0572  372.859    66.669   376.817    104.453  370.137    86.605   54.502  8.1487  54.388  6.7046  0.1135445      10.55234 
1 1 1 -20 7   12 o 62.797  4.4621  484.459    67.548   524.015    105.896  457.325    87.708   64.801  6.8383  60.686  6.0365  4.114761       9.121487 
1 1 1 -20 7   13 f 19.650  7.6409  30.682     52.309   -100.2226  84.295   112.657    66.706   16.456  7.8121  29.730  8.6958  -13.27395      11.68956 
1 1 1 -20 7   14 o 65.101  6.0163  526.022    93.960   596.661    114.250  378.400    165.161  69.135  6.9031  53.069  12.942  16.06597       14.66832 
1 1 1 -20 7   15 o 84.849  7.9180  903.863    161.131  0.0000     0.0000   903.863    161.131  ?       ?       84.849  7.9180  0.000000       7.918004 
1 1 1 -20 7   16 o 93.018  7.6942  1084.22    172.099  0.0000     0.0000   1084.22    172.099  ?       ?       93.018  7.6942  0.000000       7.694201 
1 1 1 -20 7   17 o 56.858  9.0136  416.044    120.205  0.0000     0.0000   416.044    120.205  ?       ?       56.858  9.0136  0.000000       9.013620 
1 1 1 -20 7   18 o 14.719  7.0260  -90.3663   70.120   -367.2102  162.815  -27.3247   77.695   18.839  9.3467  18.769  8.3778  0.7069778E-01  12.55181 
1 1 1 -20 7   19 o 87.654  4.2214  941.113    89.784   942.729    126.428  939.469    127.526  87.107  6.0186  86.934  6.0841  0.1737823      8.558005 
1 1 1 -20 7   20 o 129.842 4.3150  2067.45    135.945  1905.70    191.839  2230.61    192.673  123.710 6.4130  134.239 5.9153  -10.52946      8.724532 
1 1 1 -20 7   21 o 68.277  4.4658  574.962    73.576   412.145    101.855  752.630    106.399  56.829  7.5753  77.788  5.6763  -20.95900      9.466033 
1 1 1 -20 7   22 o 61.259  4.6643  464.528    68.810   441.453    95.291   489.668    99.466   59.063  6.7715  62.270  6.6879  -3.207001      9.517418 
1 1 1 -20 7   23 o 70.437  4.4754  613.089    76.091   663.257    106.198  560.164    109.077  72.730  6.0733  66.498  6.8586  6.231956       9.161145 
1 1 1 -20 7   24 o 49.137  6.0536  305.529    70.649   285.837    82.716   358.633    135.837  46.995  7.5066  51.034  11.271  -4.039402      13.54167 
1 1 1 -20 7   25 o 53.474  4.9205  356.920    63.127   319.963    86.187   399.693    92.721   49.749  7.3622  55.857  6.9947  -6.107231      10.15518 
1 1 1 -20 7   26 o 38.938  6.1307  194.438    56.007   215.489    75.169   168.169    83.972   40.370  7.9568  35.148  9.5828  5.221859       12.45554 
1 1 1 -20 7   27 o 40.826  5.8071  212.724    55.905   146.592    74.982   295.497    83.887   32.874  9.0937  47.545  7.5219  -14.67058      11.80148 
1 1 1 -20 7   28 o 62.620  4.7251  489.654    71.264   462.403    98.198   519.976    103.584  59.904  6.8807  63.593  6.8194  -3.689079      9.687578 
1 1 1 -20 7   29 o 83.296  5.7110  876.707    114.727  851.474    141.499  925.125    196.007  81.098  7.2679  82.336  10.018  -1.238213      12.37634 
1 1 1 -20 7   30 o 75.397  5.7414  720.753    104.246  755.174    127.074  649.912    182.299  76.452  6.9253  67.420  11.560  9.031944       13.47547 
1 1 1 -20 7   31 o 44.849  6.8307  263.177    71.985   325.276    85.028   106.041    135.255  49.730  7.2606  30.660  12.176  19.06981       14.17605 
1 1 1 -20 7   32 o 71.979  4.3939  646.751    76.372   596.680    105.297  702.328    110.936  68.031  6.4562  73.990  6.2375  -5.958794      8.977123 
1 1 1 -20 7   33 o 38.178  7.5807  195.947    67.746   136.390    90.062   273.565    102.815  31.315  10.268  43.974  9.8773  -12.65961      14.24743 
1 1 1 -20 7   34 o 49.366  6.0747  314.827    71.228   354.277    97.536   269.745    104.264  51.267  8.1107  43.447  10.085  7.820339       12.94148 
1 1 1 -20 7   35 o 49.194  6.2769  314.598    73.217   367.646    98.269   248.404    109.772  52.213  8.0126  41.071  10.852  11.14182       13.48972 
1 1 1 -20 7   36 o 28.930  10.308  112.856    91.205   -28.4246   173.953  166.418    107.107  26.364  12.072  33.694  11.205  -7.329903      16.47040 
1 1 1 -20 7   37 o 42.227  9.6306  256.564    96.488   305.898    191.414  239.758    111.720  41.944  14.934  39.798  11.133  2.145412       18.62718 
1 1 1 -20 7   38 o 52.376  6.0069  357.620    74.958   268.842    101.186  465.590    111.588  42.836  9.9290  58.299  8.1079  -15.46342      12.81888 
1 1 1 -20 7   39 o 58.252  5.6470  439.931    78.814   499.460    106.612  368.192    117.035  60.783  7.3801  50.022  9.9922  10.76059       12.42211 
1 1 1 -20 7   40 o 53.388  5.9815  374.654    76.154   353.520    102.562  400.623    113.690  49.731  8.8226  52.631  9.2397  -2.899834      12.77542 
1 1 1 -20 7   41 o 13.437  6.3838  -57.3169   56.492   -43.6337   80.245   -70.7615   79.542   17.203  7.9914  16.007  7.5958  1.196501       11.02537 
1 1 1 -20 7   42 o 54.610  6.1461  397.521    80.025   399.276    109.308  395.494    117.477  52.300  8.9344  51.171  9.8187  1.129276       13.27518 
1 1 1 -20 7   43 o 29.412  8.5746  128.689    64.953   71.361     92.091   185.439    91.626   24.430  9.9266  34.079  10.248  -9.648485      14.26757 
1 1 1 -20 7   44 o 23.555  8.3202  77.460     59.298   61.643     83.503   93.550     84.221   23.175  9.4385  25.660  9.7679  -2.485210      13.58301 
1 1 1 -20 7   45 o 30.405  9.9238  147.454    84.164   138.381    95.561   178.831    177.713  29.322  10.540  31.521  13.373  -2.199512      17.02753 
1 1 1 -20 7   46 o 17.214  7.8602  -19.5774   73.065   12.950     81.781   -148.2377  162.648  19.826  8.7357  20.632  10.054  -0.8061409     13.31883 
1 1 1 -20 7   47 o 16.023  7.1590  -6.8419    56.874   -3.9220    76.027   -10.5524   85.702   18.359  8.2344  18.950  8.5983  -0.5910530     11.90530 
1 1 1 -20 7   48 o 21.131  8.1521  54.259     59.181   66.372     81.092   40.456     86.567   23.328  9.3723  21.866  9.3071  1.462099       13.20839 
1 1 1 -20 7   49 o 21.278  9.3621  22.733     93.616   245.516    229.504  -21.7341   102.534  33.709  14.749  19.893  9.1675  13.81608       17.36591 
1 1 1 -20 7   50 o 38.721  10.848  254.246    105.990  357.997    268.985  235.176    115.321  36.161  15.891  36.256  11.597  -0.9523010E-01 19.67272 
1 1 1 -20 7   51 o 15.665  7.5174  -77.3297   82.596   143.234    274.124  -99.3532   86.621   29.751  14.113  15.389  7.4617  14.36227       15.96418 
1 1 1 -20 8   1  o 102.737 4.1728  1289.28    104.019  1359.39    144.737  1214.38    149.594  105.036 5.7004  99.102  6.2532  5.933800       8.461498 
1 1 1 -20 8   2  o 25.033  8.9803  67.526     69.336   67.526     69.336   0.0000     0.0000   25.033  8.9803  ?       ?       0.000000       8.980324 
1 1 1 -20 8   3  o 50.220  7.4452  318.701    87.974   318.701    87.974   0.0000     0.0000   50.220  7.4452  ?       ?       0.000000       7.445160 
1 1 1 -20 8   4  o 159.057 8.6228  3163.42    331.543  3163.42    331.543  0.0000     0.0000   159.057 8.6228  ?       ?       0.000000       8.622821 
1 1 1 -20 8   5  o 70.053  6.9369  611.635    116.361  644.440    141.249  542.357    205.264  71.529  8.2922  63.611  13.704  7.918125       16.01707 
1 1 1 -20 8   6  o 42.691  9.3966  236.719    94.698   263.701    122.436  196.546    149.400  44.728  11.283  39.667  13.235  5.060318       17.39158 
1 1 1 -20 8   7  o 59.867  8.0148  452.516    113.503  444.951    138.497  467.990    198.077  58.717  10.084  58.891  14.057  -0.1736832     17.29992 
1 1 1 -20 8   8  o 159.494 4.5942  3110.70    177.794  3249.61    252.597  2974.31    250.296  162.412 6.4098  155.292 6.6426  7.119446       9.230955 
1 1 1 -20 8   9  o 32.582  7.1461  136.230    54.941   320.997    97.931   51.368     66.369   50.162  8.3388  23.217  8.7086  26.94474       12.05720 
1 1 1 -20 8   10 o 15.195  6.5082  -1.3939    42.813   20.465     80.906   -9.8957    50.456   22.266  9.2036  15.833  6.9219  6.432747       11.51603 
1 1 1 -20 8   11 o 98.335  4.2695  1181.58    101.871  1204.70    147.782  1160.65    140.620  98.717  6.2013  96.943  6.0077  1.773056       8.634122 
1 1 1 -20 8   12 o 85.894  4.5051  904.852    93.565   865.596    139.008  937.368    126.513  83.388  6.9331  87.063  6.0259  -3.674133      9.185789 
1 1 1 -20 8   13 o 61.911  6.7210  479.027    99.342   468.879    113.988  511.083    202.584  60.910  7.8987  61.397  13.920  -0.4870949     16.00444 
1 1 1 -20 8   14 o 76.099  7.8959  728.665    143.673  0.0000     0.0000   728.665    143.673  ?       ?       76.099  7.8959  0.000000       7.895917 
1 1 1 -20 8   15 o 146.781 8.3957  2705.70    297.772  0.0000     0.0000   2705.70    297.772  ?       ?       146.781 8.3957  0.000000       8.395709 
1 1 1 -20 8   16 f 124.475 7.9847  1944.71    239.886  0.0000     0.0000   1944.71    239.886  ?       ?       124.475 7.9847  0.000000       7.984655 
1 1 1 -20 8   17 o 16.471  7.6269  -56.9375   72.237   -290.5127  159.816  3.0350     80.981   19.954  9.7750  20.994  8.9704  -1.040121      13.26721 
1 1 1 -20 8   18 o 138.916 4.4163  2366.12    148.858  2224.10    209.828  2510.02    211.213  133.882 6.4592  142.393 6.1132  -8.511002      8.893376 
1 1 1 -20 8   19 o 39.783  5.7594  199.530    53.978   186.052    72.245   216.563    81.213   37.769  8.1244  40.708  8.4966  -2.939350      11.75578 
1 1 1 -20 8   20 o 57.766  4.6713  412.950    64.915   400.538    89.008   427.054    94.880   56.327  6.6400  58.110  6.8615  -1.782825      9.548299 
1 1 1 -20 8   21 o 75.899  4.3664  710.175    80.075   740.628    111.585  677.843    114.976  76.974  6.0225  73.432  6.5208  3.541534       8.876434 
1 1 1 -20 8   22 o 99.966  4.2687  1228.58    103.541  1273.26    146.141  1183.56    146.719  100.961 5.9924  97.203  6.2539  3.757843       8.661469 
1 1 1 -20 8   23 o 70.367  5.2816  617.203    89.520   605.200    104.057  651.383    175.596  69.307  6.2552  69.569  10.749  -0.2625580     12.43642 
1 1 1 -20 8   24 o 17.736  6.9846  24.502     44.167   -17.3440   56.991   87.429     69.887   16.175  7.2010  26.599  9.0514  -10.42334      11.56639 
1 1 1 -20 8   25 o 14.745  6.4772  -8.6439    44.651   -51.3290   57.632   55.452     70.623   14.307  6.6878  23.493  8.9443  -9.186834      11.16814 
1 1 1 -20 8   26 o 54.161  4.8843  367.056    63.497   279.022    85.792   473.694    94.423   45.979  7.9793  60.922  6.4874  -14.94281      10.28373 
1 1 1 -20 8   27 o 91.929  4.2579  1045.12    94.975   996.143    132.960  1096.14    135.713  88.609  6.2236  93.084  6.0414  -4.474579      8.673629 
1 1 1 -20 8   28 o 61.762  6.0190  485.797    89.055   477.715    105.598  505.701    165.718  60.565  7.3352  59.248  11.940  1.317005       14.01304 
1 1 1 -20 8   29 f 26.131  8.3778  89.596     60.152   17.382     70.726   278.412    114.363  20.204  8.4964  44.145  10.772  -23.94131      13.71946 
1 1 1 -20 8   30 o 22.630  8.0273  61.293     55.252   9.1846     63.503   223.645    112.092  18.714  7.9685  39.215  11.215  -20.50155      13.75803 
1 1 1 -20 8   31 f 17.799  6.9969  26.858     44.248   72.752     55.180   -55.8063   74.056   23.899  8.0432  16.370  7.6285  7.528778       11.08548 
1 1 1 -20 8   32 o 74.755  5.0119  703.948    90.383   606.055    124.319  813.707    131.637  67.666  7.7095  79.111  6.9275  -11.44463      10.36468 
1 1 1 -20 8   33 o 44.988  6.7684  265.879    71.595   230.580    102.558  299.435    99.993   39.896  10.465  46.404  9.2057  -6.508293      13.93746 
1 1 1 -20 8   34 o 46.171  6.5504  279.137    71.326   310.980    98.912   244.641    102.951  47.393  8.9290  41.075  10.338  6.317753       13.65989 
1 1 1 -20 8   35 o 33.372  10.366  161.321    92.771   379.536    209.210  107.909    103.504  46.324  15.661  28.938  10.871  17.38632       19.06450 
1 1 1 -20 8   36 o 25.531  9.8425  75.719     86.220   143.136    197.825  59.910     95.797   33.702  14.193  24.959  10.131  8.742167       17.43785 
1 1 1 -20 8   37 o 20.411  8.3932  30.865     66.831   36.701     89.155   23.381     100.968  22.805  9.5621  22.971  9.9185  -0.1663074     13.77719 
1 1 1 -20 8   38 o 37.535  7.5209  193.986    66.109   228.692    91.768   156.543    95.319   39.420  9.6679  32.309  10.562  7.110504       14.31846 
1 1 1 -20 8   39 o 33.536  8.1775  160.068    65.943   181.781    91.670   136.783    94.932   34.548  10.219  30.313  10.540  4.234718       14.68084 
1 1 1 -20 8   40 o 17.943  7.6713  12.628     59.289   51.478     81.839   -30.2836   86.010   22.824  9.3253  18.460  8.4659  4.364300       12.59499 
1 1 1 -20 8   41 f 43.963  7.2281  267.266    74.423   252.722    103.052  283.121    107.596  40.051  10.482  42.470  10.501  -2.418980      14.83709 
1 1 1 -20 8   42 o 32.171  8.2984  152.111    65.203   206.551    91.756   96.578     92.673   36.184  10.078  26.315  10.188  9.869041       14.32987 
1 1 1 -20 8   43 o 18.835  7.8929  25.820     60.687   93.204     82.151   -55.1251   90.040   25.596  9.6702  17.527  8.2459  8.069078       12.70859 
1 1 1 -20 8   44 o 37.200  7.7624  200.115    67.800   230.345    93.839   167.097    98.069   37.927  10.040  31.712  10.723  6.214622       14.68901 
1 1 1 -20 8   45 o 30.169  10.217  147.372    89.034   115.972    103.264  238.332    175.756  27.520  10.726  34.218  13.780  -6.698233      17.46255 
1 1 1 -20 8   46 o 17.232  7.8745  -19.9383   73.512   -10.5439   82.087   -57.9903   165.207  18.585  8.4259  22.865  10.879  -4.280405      13.76013 
1 1 1 -20 8   47 o 26.618  8.6490  105.952    63.956   137.573    87.447   69.585     93.780   29.358  10.121  24.112  9.9320  5.246075       14.18030 
1 1 1 -20 8   48 o 24.871  8.4897  90.225     61.484   90.943     85.837   89.468     88.112   25.340  9.8061  25.284  9.8932  0.5569839E-01  13.92966 
1 1 1 -20 8   49 o 24.459  10.121  74.757     98.003   -321.1693  284.456  128.083    104.395  23.578  11.800  28.229  10.844  -4.651737      16.02591 
1 1 1 -20 8   50 o 23.989  9.8446  74.712     91.713   -137.8149  287.028  98.877     96.787   25.493  12.605  25.790  10.281  -0.2977467     16.26637 
1 1 1 -20 9   1  o 48.923  7.5506  303.497    86.745   303.497    86.745   0.0000     0.0000   48.923  7.5506  ?       ?       0.000000       7.550570 
1 1 1 -20 9   2  o 79.924  5.9568  790.092    114.690  790.092    114.690  0.0000     0.0000   79.924  5.9568  ?       ?       0.000000       5.956786 
1 1 1 -20 9   3  o 48.409  10.172  305.929    115.681  305.929    115.681  0.0000     0.0000   48.409  10.172  ?       ?       0.000000       10.17181 
1 1 1 -20 9   4  o 85.971  6.5344  916.590    135.288  959.638    163.743  823.990    240.154  87.587  7.7859  79.027  12.975  8.560661       15.13148 
1 1 1 -20 9   5  o 60.521  6.8538  457.916    98.874   562.300    129.819  313.721    152.580  66.757  8.1860  48.457  12.790  18.30058       15.18529 
1 1 1 -20 9   6  o 62.824  6.7384  492.544    101.115  580.575    130.245  358.998    160.420  67.884  8.0651  51.793  12.831  16.09120       15.15530 
1 1 1 -20 9   7  o 75.406  4.2800  696.968    77.987   720.732    119.282  679.225    103.067  76.182  6.5156  74.127  5.7760  2.055740       8.707171 
1 1 1 -20 9   8  o 51.419  5.1586  327.264    63.493   462.474    105.556  250.609    79.478   60.695  7.3149  44.349  7.6630  16.34604       10.59381 
1 1 1 -20 9   9  o 68.117  4.6116  570.241    75.771   591.229    116.893  555.032    99.507   68.773  7.1075  66.852  6.2053  1.921875       9.435123 
1 1 1 -20 9   10 o 51.135  5.7111  325.260    69.650   345.613    103.380  308.344    94.251   52.002  8.4859  49.140  8.1932  2.862190       11.79568 
1 1 1 -20 9   11 o 156.014 5.1945  2986.27    196.639  3154.50    323.922  2888.10    247.451  158.698 8.4425  152.875 6.6710  5.822571       10.75998 
1 1 1 -20 9   12 o 74.910  6.1530  696.304    110.850  701.796    130.246  681.872    211.131  74.884  7.2594  71.706  12.594  3.177948       14.53679 
1 1 1 -20 9   13 o 160.832 8.6928  3252.78    337.972  0.0000     0.0000   3252.78    337.972  ?       ?       160.832 8.6928  0.000000       8.692772 
1 1 1 -20 9   14 o 170.837 8.9837  3683.42    371.084  0.0000     0.0000   3683.42    371.084  ?       ?       170.837 8.9837  0.000000       8.983706 
1 1 1 -20 9   15 o 41.261  10.919  226.439    111.019  0.0000     0.0000   226.439    111.019  ?       ?       41.261  10.919  0.000000       10.91902 
1 1 1 -20 9   16 o 12.491  6.1497  -136.4444  65.808   -385.7215  151.815  -78.7679   73.025   17.491  8.7336  15.614  7.3702  1.876324       11.42782 
1 1 1 -20 9   17 o 90.747  4.3068  1009.38    94.831   956.145    137.752  1057.33    130.746  87.518  6.5340  92.301  5.8684  -4.782936      8.782453 
1 1 1 -20 9   18 o 19.103  7.0514  36.634     43.171   30.705     54.984   46.165     69.711   19.864  7.8026  22.885  8.8424  -3.020973      11.79271 
1 1 1 -20 9   19 o 41.115  5.6884  212.995    55.228   231.460    74.231   190.103    82.654   42.362  7.4960  37.884  9.1048  4.478794       11.79351 
1 1 1 -20 9   20 o 32.244  6.8498  134.770    51.937   93.504     69.072   188.453    78.781   27.380  8.9928  37.731  8.7716  -10.35123      12.56225 
1 1 1 -20 9   21 o 38.590  6.0341  189.565    54.650   207.566    73.919   167.863    81.163   39.824  7.9284  35.434  9.3166  4.390114       12.23349 
1 1 1 -20 9   22 o 94.945  5.0673  1118.97    116.315  1124.06    136.345  1105.38    222.929  94.753  5.9608  91.290  10.241  3.462761       11.84923 
1 1 1 -20 9   23 o 68.087  5.3376  579.455    87.475   545.823    101.341  677.749    173.252  65.630  6.4470  71.002  10.362  -5.371223      12.20364 
1 1 1 -20 9   24 o 47.352  5.3967  282.654    60.898   206.946    83.315   369.500    89.234   39.174  8.9598  53.579  7.0339  -14.40460      11.39091 
1 1 1 -20 9   25 o 51.424  5.0557  331.880    62.267   242.796    84.357   438.517    92.294   42.621  8.4556  58.537  6.6141  -15.91606      10.73512 
1 1 1 -20 9   26 o 55.614  4.9249  387.695    65.770   407.552    89.698   364.604    96.724   56.289  6.6989  52.680  7.8029  3.608829       10.28403 
1 1 1 -20 9   27 o 115.488 4.3376  1652.78    121.550  1550.07    171.280  1756.98    172.523  110.309 6.4272  117.771 6.0578  -7.462166      8.832084 
1 1 1 -20 9   28 o 89.815  5.8353  1022.56    126.479  1010.60    154.766  1046.62    219.461  88.238  7.2940  86.757  10.649  1.480797       12.90740 
1 1 1 -20 9   29 o 62.992  5.9555  506.853    89.947   492.467    107.713  539.996    163.494  61.275  7.3942  61.263  11.419  0.1174545E-01  13.60379 
1 1 1 -20 9   30 o 49.647  5.2425  312.915    62.198   278.326    84.291   354.259    92.155   45.544  7.9149  51.695  7.5714  -6.150742      10.95316 
1 1 1 -20 9   31 o 86.793  4.8613  946.062    101.965  957.730    140.476  933.068    148.238  85.965  6.7899  84.424  7.3087  1.541367       9.975957 
1 1 1 -20 9   32 o 54.986  5.9052  388.495    77.553   424.538    106.786  348.268    112.815  56.232  8.0568  49.806  9.6839  6.425625       12.59719 
1 1 1 -20 9   33 o 58.886  5.5633  443.035    78.548   468.619    108.681  415.057    113.652  59.239  7.7466  54.992  8.8153  4.247292       11.73540 
1 1 1 -20 9   34 f 82.780  7.2007  902.415    143.191  1049.09    273.952  847.281    167.961  80.578  14.547  78.542  8.9745  2.035828       17.09271 
1 1 1 -20 9   35 o 57.287  8.6285  452.168    116.216  269.794    238.914  508.698    133.014  39.707  16.040  60.156  9.4222  -20.44896      18.60245 
1 1 1 -20 9   36 o 73.651  7.4275  725.862    130.924  894.877    267.172  672.449    150.194  71.267  15.859  69.257  9.1627  2.010345       18.31560 
1 1 1 -20 9   37 o 32.830  8.4595  153.336    67.807   140.667    94.506   166.777    97.345   30.919  10.526  33.242  10.658  -2.323088      14.97910 
1 1 1 -20 9   38 o 36.242  8.0929  185.571    69.369   144.333    94.348   234.094    102.343  31.011  10.517  39.021  10.555  -8.009508      14.89983 
1 1 1 -20 9   39 o 49.671  6.5105  330.487    76.575   308.519    104.214  356.267    112.894  45.453  9.7422  48.823  9.8691  -3.370361      13.86756 
1 1 1 -20 9   40 o 53.484  6.3240  382.711    80.481   299.590    112.694  469.229    114.974  43.540  10.735  57.245  8.5387  -13.70465      13.71675 
1 1 1 -20 9   41 o 24.051  8.6341  79.607     64.104   71.858     88.463   88.175     93.023   24.357  9.7879  25.727  10.135  -1.370012      14.08978 
1 1 1 -20 9   42 o 31.862  8.4116  151.111    65.987   158.979    92.501   142.958    94.160   31.365  10.412  29.897  10.491  1.467392       14.78080 
1 1 1 -20 9   43 o 16.990  7.4896  1.7383     60.181   -16.5601   82.063   23.030     88.521   18.317  8.3505  20.958  9.1651  -2.640896      12.39879 
1 1 1 -20 9   44 f 18.320  8.2909  -9.7472    79.077   3.5151     84.636   -100.8772  221.858  19.527  8.7281  24.508  11.897  -4.981167      14.75507 
1 1 1 -20 9   45 o 19.227  8.6475  -1.7664    84.479   -3.5518    93.177   6.4791     200.242  19.891  9.0012  26.003  12.253  -6.111570      15.20362 
1 1 1 -20 9   46 o 27.130  8.6895  111.034    64.724   95.055     88.142   129.732    95.349   25.697  9.9390  28.518  10.487  -2.821392      14.44868 
1 1 1 -20 9   47 o 24.556  8.5067  87.419     61.812   11.560     85.590   170.110    89.361   20.047  8.8797  32.278  10.197  -12.23099      13.52123 
1 1 1 -20 9   48 o 15.238  7.2989  -75.1854   77.090   -444.3594  292.125  -47.5515   79.924   22.620  11.404  16.625  7.8048  5.995121       13.81889 
1 1 1 -20 9   49 o 16.141  7.6193  -52.3503   78.059   -414.4662  278.004  -21.3579   81.331   22.126  11.151  17.826  8.1961  4.300236       13.83895 
1 1 1 -20 9   50 o 19.880  8.8481  15.352     85.984   -249.8298  308.788  37.642     89.525   24.317  12.188  21.353  9.2795  2.963917       15.31853 
1 1 1 -20 10  1  o 160.149 9.0227  3227.73    349.182  3227.73    349.182  0.0000     0.0000   160.149 9.0227  ?       ?       0.000000       9.022696 
1 1 1 -20 10  2  o 127.252 8.4099  2030.26    258.204  2030.26    258.204  0.0000     0.0000   127.252 8.4099  ?       ?       0.000000       8.409878 
1 1 1 -20 10  3  o 146.966 6.6973  2668.73    238.825  2746.19    300.440  2535.75    393.636  148.105 8.3949  140.296 11.669  7.808807       14.37522 
1 1 1 -20 10  4  o 40.370  9.6906  213.101    93.720   232.886    107.479  150.325    191.448  42.070  10.549  38.407  14.701  3.663166       18.09429 
1 1 1 -20 10  5  o 59.751  4.9573  440.387    71.222   593.822    128.650  372.581    85.523   68.689  7.8604  54.561  6.5938  14.12844       10.25985 
1 1 1 -20 10  6  o 45.780  5.0421  259.908    55.079   347.481    88.497   204.538    70.369   52.526  7.1278  39.985  7.5293  12.54168       10.36802 
1 1 1 -20 10  7  o 129.671 4.3411  2055.79    136.586  2411.51    196.919  1725.99    189.613  140.021 5.7960  118.029 6.6480  21.99204       8.819829 
1 1 1 -20 10  8  o 110.960 4.1680  1504.52    112.216  1687.00    163.604  1342.40    154.206  117.114 5.7573  104.206 6.1257  12.90833       8.406644 
1 1 1 -20 10  9  o 149.952 4.5666  2752.10    166.154  3044.08    240.083  2483.70    230.183  157.085 6.2989  141.740 6.6929  15.34506       9.190832 
1 1 1 -20 10  10 o 71.822  4.7627  634.669    82.528   630.294    127.846  637.795    108.058  70.834  7.5550  71.634  6.2803  -0.8001404     9.824465 
1 1 1 -20 10  11 o 53.081  7.6329  357.284    95.482   442.184    109.306  83.883     196.151  59.100  7.8140  35.194  14.415  23.90586       16.39650 
1 1 1 -20 10  12 o 79.115  6.3051  777.968    120.031  671.832    217.109  824.689    144.047  70.745  13.131  81.113  7.4004  -10.36814      15.07308 
1 1 1 -20 10  13 o 161.975 8.7735  3310.19    343.529  0.0000     0.0000   3310.19    343.529  ?       ?       161.975 8.7735  0.000000       8.773545 
1 1 1 -20 10  14 o 181.247 9.3532  4172.36    409.932  0.0000     0.0000   4172.36    409.932  ?       ?       181.247 9.3532  0.000000       9.353209 
1 1 1 -20 10  15 o 38.541  10.010  196.799    94.446   0.0000     0.0000   196.799    94.446   ?       ?       38.541  10.010  0.000000       10.00987 
1 1 1 -20 10  16 o 104.053 4.4535  1328.40    112.441  1347.70    160.874  1309.96    157.220  104.004 6.4060  102.556 6.3493  1.448441       9.019461 
1 1 1 -20 10  17 o 98.734  4.2017  1195.34    100.659  1109.76    138.805  1290.27    146.189  94.401  6.0924  101.880 5.9395  -7.478928      8.508482 
1 1 1 -20 10  18 o 48.973  5.0803  298.840    59.490   245.880    80.307   363.246    88.560   43.550  7.8903  53.467  6.9940  -9.917484      10.54382 
1 1 1 -20 10  19 o 120.115 4.2530  1772.40    123.953  1655.26    174.030  1893.01    176.589  115.093 6.2553  123.429 5.8964  -8.335922      8.596262 
1 1 1 -20 10  20 o 145.126 4.4734  2593.47    157.526  2425.35    221.569  2765.31    224.001  139.167 6.5616  148.848 6.2022  -9.681396      9.028918 
1 1 1 -20 10  21 o 161.257 6.5913  3265.21    257.901  3265.21    257.901  0.0000     0.0000   161.257 6.5913  ?       ?       0.000000       6.591292 
1 1 1 -20 10  22 o 57.043  5.6031  409.055    76.551   368.607    87.752   537.854    156.590  53.638  6.9026  62.945  10.631  -9.306774      12.67565 
1 1 1 -20 10  23 o 58.014  4.7115  419.347    65.750   332.724    90.079   518.119    96.189   50.565  7.5751  63.909  6.2843  -13.34318      9.842473 
1 1 1 -20 10  24 o 12.116  5.6473  -35.5069   40.620   -19.7759   52.471   -59.0353   64.170   15.240  6.8378  14.942  7.0077  0.2980728      9.790996 
1 1 1 -20 10  25 o 59.407  4.6617  440.627    66.657   459.493    91.743   419.533    97.012   59.942  6.4070  56.877  7.1901  3.065231       9.630548 
1 1 1 -20 10  26 o 58.474  4.8576  428.678    68.298   403.198    93.490   457.840    100.015  55.711  7.0757  59.409  7.0775  -3.698074      10.00777 
1 1 1 -20 10  27 o 45.417  6.9398  269.714    74.050   249.916    85.759   327.731    146.808  42.934  8.5328  46.751  12.639  -3.817924      15.24987 
1 1 1 -20 10  28 o 31.608  8.1855  136.258    63.276   134.959    72.020   140.653    132.497  31.292  9.0020  32.731  12.299  -1.438993      15.24172 
1 1 1 -20 10  29 o 38.315  7.7670  197.916    69.736   120.364    82.219   396.755    131.651  29.731  9.8135  52.707  10.660  -22.97565      14.48970 
1 1 1 -20 10  30 o 72.079  4.8316  653.140    84.012   718.969    120.535  590.946    117.160  74.440  6.7466  67.058  7.3194  7.381996       9.954374 
1 1 1 -20 10  31 o 104.027 4.5276  1350.95    114.282  1318.34    162.086  1383.19    161.157  100.951 6.6545  103.613 6.4421  -2.662148      9.261911 
1 1 1 -20 10  32 o 69.439  5.2542  611.680    87.872   602.487    123.570  621.084    124.982  67.276  7.7090  68.346  7.6687  -1.070030      10.87371 
1 1 1 -20 10  33 o 80.394  7.1687  850.875    138.372  1468.76    266.550  622.937    161.895  100.657 11.098  65.908  10.474  34.74908       15.26012 
1 1 1 -20 10  34 o 31.826  10.182  146.073    88.879   -327.7595  210.441  248.943    98.053   21.951  10.843  41.453  9.8872  -19.50194      14.67380 
1 1 1 -20 10  35 o 25.987  9.7980  83.977     84.226   -420.1168  208.345  182.455    92.087   20.350  10.172  35.114  10.202  -14.76372      14.40619 
1 1 1 -20 10  36 o 24.996  8.6154  83.673     63.362   105.610    89.077   61.206     90.146   27.821  10.151  24.415  9.8561  3.405382       14.14842 
1 1 1 -20 10  37 o 37.328  7.9604  195.586    69.899   239.731    95.251   144.072    102.895  40.063  9.8643  30.990  10.959  9.073532       14.74428 
1 1 1 -20 10  38 o 19.906  7.9878  37.084     58.826   -64.9578   83.101   139.574    83.284   16.687  7.8720  30.489  9.8666  -13.80247      12.62217 
1 1 1 -20 10  39 o 40.640  7.5834  231.427    72.030   183.388    103.214  277.035    100.568  33.762  10.988  42.614  9.9130  -8.851959      14.79889 
1 1 1 -20 10  40 o 23.133  8.4561  71.195     61.860   36.824     87.014   106.317    87.960   21.930  9.3326  27.036  10.048  -5.106102      13.71369 
1 1 1 -20 10  41 o 19.847  8.1358  36.174     62.549   34.463     92.378   37.622     84.997   22.007  9.4948  21.682  9.2254  0.3247547      13.23854 
1 1 1 -20 10  42 o 20.267  8.2055  42.160     62.678   41.742     85.595   42.643     92.036   21.860  9.2782  22.333  9.5533  -0.4723282     13.31725 
1 1 1 -20 10  43 o 20.916  9.1536  23.739     88.443   -21.2526   98.197   217.065    203.553  19.516  8.9855  32.727  14.107  -13.21049      16.72560 
1 1 1 -20 10  44 o 21.369  9.1560  36.306     84.788   15.219     91.180   171.064    230.502  20.637  9.1516  31.063  14.097  -10.42671      16.80723 
1 1 1 -20 10  45 o 14.961  6.9360  -31.7872   59.999   -41.4823   80.664   -19.7806   89.767   16.978  7.9284  18.830  8.6404  -1.851730      11.72673 
1 1 1 -20 10  46 o 18.822  7.9652  24.392     62.789   55.893     84.460   -14.5275   93.880   22.659  9.3878  19.447  8.8913  3.212166       12.93006 
1 1 1 -20 10  47 o 35.111  11.291  215.728    109.204  144.111    289.937  227.568    117.885  30.753  14.567  35.548  11.752  -4.795717      18.71595 
1 1 1 -20 10  48 o 23.047  9.9922  49.089     103.319  977.919    293.089  -82.7152   110.407  60.509  18.359  18.229  8.7325  42.27990       20.32999 
1 1 1 -20 10  49 o 22.184  9.4015  52.420     87.675   -219.9576  309.602  76.168     91.417   24.758  12.378  23.892  9.8196  0.8654404      15.80035 
1 1 1 -20 11  1  o 20.075  9.4233  -111.7025  116.452  -111.7025  116.452  0.0000     0.0000   20.075  9.4233  ?       ?       0.000000       9.423283 
1 1 1 -20 11  2  f 137.396 8.5864  2372.33    284.819  2372.33    284.819  0.0000     0.0000   137.396 8.5864  ?       ?       0.000000       8.586427 
1 1 1 -20 11  3  o 183.892 7.3687  4199.10    328.789  4439.18    427.341  3850.82    514.708  187.742 9.3810  172.157 12.405  15.58525       15.55264 
1 1 1 -20 11  4  o 82.234  4.3243  829.271    85.982   921.539    130.707  758.885    114.160  86.204  6.2924  78.249  6.0599  7.954575       8.735986 
1 1 1 -20 11  5  o 87.347  4.0910  932.291    86.705   985.860    127.846  886.665    117.986  89.281  5.9353  84.694  5.7758  4.587006       8.281812 
1 1 1 -20 11  6  o 164.318 4.6338  3306.19    184.749  3629.41    262.204  2987.52    260.354  171.492 6.3013  155.324 6.9081  16.16742       9.350375 
1 1 1 -20 11  7  o 111.325 4.1729  1515.03    112.719  1715.97    163.767  1334.14    155.382  118.086 5.7156  103.819 6.1965  14.26674       8.429959 
1 1 1 -20 11  8  o 21.482  7.6332  50.173     49.981   -20.9447   84.540   88.389     61.971   20.069  8.8602  26.732  8.4965  -6.663004      12.27577 
1 1 1 -20 11  9  o 53.664  5.3829  357.381    69.146   506.441    111.137  263.239    88.322   63.440  7.3565  45.209  8.3594  18.23038       11.13537 
1 1 1 -20 11  10 o 111.968 4.3598  1534.52    118.447  1579.04    173.892  1495.98    161.781  112.846 6.3769  109.935 6.0888  2.911942       8.816896 
1 1 1 -20 11  11 o 176.862 6.8570  3881.47    294.263  4689.94    467.406  3350.63    378.742  191.717 10.083  162.304 9.6609  29.41324       13.96438 
1 1 1 -20 11  12 f 98.056  7.5857  1206.88    179.077  0.0000     0.0000   1206.88    179.077  ?       ?       98.056  7.5857  0.000000       7.585678 
1 1 1 -20 11  13 o 97.666  7.5952  1199.02    178.574  0.0000     0.0000   1199.02    178.574  ?       ?       97.666  7.5952  0.000000       7.595225 
1 1 1 -20 11  14 o 146.217 8.4092  2703.47    297.087  0.0000     0.0000   2703.47    297.087  ?       ?       146.217 8.4092  0.000000       8.409200 
1 1 1 -20 11  15 o 65.187  4.9952  526.023    78.409   554.166    116.860  502.979    105.746  66.155  7.4072  63.125  7.0231  3.030243       10.20737 
1 1 1 -20 11  16 o 40.384  5.7002  205.580    54.303   133.628    70.297   312.044    85.510   31.909  8.7962  49.405  7.3577  -17.49537      11.46772 
1 1 1 -20 11  17 o 76.921  4.3477  729.093    80.814   717.332    110.612  742.558    118.358  75.745  6.0694  76.949  6.3972  -1.203773      8.818238 
1 1 1 -20 11  18 o 135.768 4.4287  2267.52    145.893  1956.80    201.801  2607.75    211.165  124.867 6.6848  144.759 6.0119  -19.89213      8.990555 
1 1 1 -20 11  19 o 103.941 4.1899  1328.28    105.671  1260.56    147.809  1399.08    151.130  100.349 6.0994  105.835 5.9088  -5.486168      8.492139 
1 1 1 -20 11  20 o 83.950  5.0862  876.112    103.115  885.527    120.245  849.946    200.453  84.039  5.9350  79.582  10.648  4.456299       12.19011 
1 1 1 -20 11  21 o 69.126  5.2692  597.065    87.713   624.823    102.527  521.286    169.402  70.399  6.0612  61.146  11.846  9.253529       13.30644 
1 1 1 -20 11  22 o 84.606  4.2702  885.543    87.379   809.149    121.842  966.434    125.378  79.942  6.3333  87.624  5.9320  -7.682007      8.677485 
1 1 1 -20 11  23 o 48.665  5.0960  297.801    59.281   335.206    81.307   255.352    86.616   51.029  6.7311  43.703  8.4739  7.325188       10.82191 
1 1 1 -20 11  24 o 90.162  4.2683  1005.69    93.377   947.659    129.255  1069.03    135.043  86.403  6.2067  91.865  6.0930  -5.461876      8.697576 
1 1 1 -20 11  25 f 57.295  4.8214  411.558    66.405   370.472    89.581   461.673    98.935   53.351  7.0961  59.710  6.9593  -6.359650      9.939114 
1 1 1 -20 11  26 o 69.045  5.9531  607.185    98.758   587.333    117.428  655.157    182.542  67.094  7.3325  67.684  11.528  -0.5894241     13.66263 
1 1 1 -20 11  27 o 19.167  7.6620  28.898     53.901   44.997     60.213   -36.0383   120.930  21.331  8.2247  22.463  10.201  -1.131880      13.10338 
1 1 1 -20 11  28 o 77.232  5.8527  760.536    108.863  760.436    131.380  760.755    194.458  76.312  7.1797  72.677  11.402  3.634674       13.47451 
1 1 1 -20 11  29 o 51.030  5.9838  335.360    72.685   501.668    106.478  190.241    99.464   61.771  7.2415  36.248  10.623  25.52338       12.85657 
1 1 1 -20 11  30 o 85.336  4.8475  915.696    99.957   932.167    143.011  899.966    139.766  84.490  7.0400  83.041  7.0019  1.448975       9.929148 
1 1 1 -20 11  31 o 34.920  7.8027  166.462    64.448   202.405    92.041   131.887    90.272   37.501  9.9507  30.716  10.288  6.784826       14.31286 
1 1 1 -20 11  32 o 71.235  5.0306  642.390    86.393   725.900    123.299  561.849    121.087  74.417  6.9072  64.695  7.8762  9.722244       10.47588 
1 1 1 -20 11  33 o 38.216  10.241  214.602    96.887   578.423    218.974  126.038    108.038  57.717  15.364  30.301  11.160  27.41533       18.98964 
1 1 1 -20 11  34 o 15.217  7.3422  -106.0177  81.409   19.533     193.419  -133.0481  89.746   28.617  12.957  15.413  7.5014  13.20315       14.97221 
1 1 1 -20 11  35 o 27.274  8.7745  104.104    65.940   79.203     89.466   133.717    97.565   25.709  9.9939  30.356  10.678  -4.646355      14.62506 
1 1 1 -20 11  36 o 16.903  7.5086  -8.1387    61.632   -76.2757   84.123   70.811     90.552   16.461  7.8113  24.961  9.9466  -8.500408      12.64721 
1 1 1 -20 11  37 o 21.219  8.3024  48.694     62.052   94.864     87.192   1.3104     88.329   26.487  9.9726  20.286  9.0013  6.200739       13.43412 
1 1 1 -20 11  38 o 29.858  8.7443  131.343    67.413   107.380    91.610   159.643    99.557   27.415  10.242  31.806  10.803  -4.391062      14.88635 
1 1 1 -20 11  39 o 26.242  8.6695  100.021    64.161   107.718    90.043   92.081     91.447   27.196  10.155  25.997  10.104  1.198645       14.32553 
1 1 1 -20 11  40 o 21.797  8.4177  58.028     63.151   55.825     88.969   60.264     89.652   23.120  9.6116  23.451  9.6904  -0.3309002     13.64867 
1 1 1 -20 11  41 o 27.733  8.8541  116.684    67.240   105.838    98.538   126.136    91.984   26.766  10.465  28.299  10.316  -1.533297      14.69523 
1 1 1 -20 11  42 o 23.210  9.5932  61.877     87.892   32.965     95.030   232.953    231.161  21.864  9.5305  33.021  14.611  -11.15639      17.44458 
1 1 1 -20 11  43 o 31.893  10.450  169.682    93.287   227.252    101.183  -156.6194  240.891  36.715  10.702  24.135  11.859  12.57995       15.97385 
1 1 1 -20 11  44 o 24.609  8.8402  88.147     67.211   99.025     94.450   76.988     95.665   26.018  10.224  24.523  10.058  1.495436       14.34224 
1 1 1 -20 11  45 o 29.695  8.8584  135.715    68.663   152.805    93.110   115.341    101.660  30.433  10.446  27.355  10.648  3.078001       14.91655 
1 1 1 -20 11  46 f 17.091  7.4880  5.7448     59.328   -14.2201   82.145   27.515     85.779   18.341  8.3590  20.880  9.0786  -2.538443      12.34073 
1 1 1 -20 11  47 o 32.024  11.179  180.494    106.833  82.460     293.251  195.496    114.716  29.195  14.049  32.877  11.577  -3.682335      18.20445 
1 1 1 -20 11  48 o 25.160  10.355  90.321     101.833  300.861    293.225  61.446     108.592  32.906  15.283  23.718  10.264  9.188322       18.40919 
1 1 1 -20 12  1  o 39.184  12.378  199.879    131.689  199.879    131.689  0.0000     0.0000   39.184  12.378  ?       ?       0.000000       12.37842 
1 1 1 -20 12  2  o 31.509  8.7566  128.531    69.356   301.079    129.949  59.803     82.014   47.512  11.415  25.319  9.6388  22.19279       14.93992 
1 1 1 -20 12  3  o 66.515  4.5939  544.477    73.688   502.275    114.196  574.585    96.456   63.087  7.6141  68.032  5.9017  -4.944729      9.633496 
1 1 1 -20 12  4  o 49.607  5.1649  305.350    61.257   283.647    101.398  317.823    76.870   46.694  9.2766  50.319  6.4440  -3.624786      11.29513 
1 1 1 -20 12  5  o 65.468  4.6976  527.893    74.127   593.076    116.387  483.405    96.151   68.791  7.0736  62.211  6.4641  6.580349       9.582296 
1 1 1 -20 12  6  f 14.096  6.4899  -37.7953   51.222   -64.4935   81.964   -20.6870   65.612   17.541  8.1232  17.464  7.7532  0.7698631E-01  11.22933 
1 1 1 -20 12  7  o 57.453  4.9079  407.854    67.762   309.570    103.245  482.225    89.811   48.884  9.0372  62.240  6.0223  -13.35603      10.85999 
1 1 1 -20 12  8  o 68.016  4.7063  569.841    77.192   714.938    118.572  463.110    101.694  75.733  6.5160  60.688  7.0366  15.04473       9.590207 
1 1 1 -20 12  9  o 144.184 6.4793  2574.54    226.678  3161.47    378.751  2246.98    282.947  157.332 9.9730  133.306 8.7971  24.02603       13.29843 
1 1 1 -20 12  10 o 116.384 6.3899  1682.31    179.757  2399.67    322.096  1357.82    216.632  137.055 9.7492  103.482 8.7086  33.57253       13.07236 
1 1 1 -20 12  11 o 24.029  9.1639  53.671     74.214   0.0000     0.0000   53.671     74.214   ?       ?       24.029  9.1639  0.000000       9.163890 
1 1 1 -20 12  12 o 71.276  7.8268  643.988    133.132  0.0000     0.0000   643.988    133.132  ?       ?       71.276  7.8268  0.000000       7.826769 
1 1 1 -20 12  13 f 59.539  8.3644  455.036    117.504  0.0000     0.0000   455.036    117.504  ?       ?       59.539  8.3644  0.000000       8.364444 
1 1 1 -20 12  14 o 68.800  5.0261  586.082    83.323   713.573    123.802  480.510    112.658  75.337  6.8474  61.393  7.7345  13.94438       10.33001 
1 1 1 -20 12  15 o 33.099  6.4779  140.893    50.162   117.996    67.388   169.344    75.118   30.087  8.7230  35.810  8.7254  -5.722330      12.33791 
1 1 1 -20 12  16 f 22.344  7.3112  60.950     45.672   48.180     59.107   79.872     71.949   21.966  8.2225  26.125  9.1706  -4.159159      12.31707 
1 1 1 -20 12  17 o 67.060  4.5164  556.122    73.060   526.879    99.113   590.922    108.119  64.648  6.4026  68.422  6.5941  -3.774162      9.191056 
1 1 1 -20 12  18 o 16.419  6.7766  11.784     43.768   -12.4812   54.682   55.049     73.015   16.173  7.1339  23.796  9.0861  -7.622280      11.55202 
1 1 1 -20 12  19 o 56.929  5.9306  408.719    80.717   391.955    88.093   496.441    201.519  55.458  6.6811  58.128  14.369  -2.670319      15.84671 
1 1 1 -20 12  20 o 46.609  6.3930  277.687    70.395   320.526    79.600   123.926    150.804  49.999  6.7324  33.349  12.972  16.64988       14.61500 
1 1 1 -20 12  21 o 64.890  4.5173  523.239    70.680   519.336    96.475   527.762    103.846  63.942  6.3000  64.248  6.7629  -0.3056908     9.242692 
1 1 1 -20 12  22 o 68.627  4.3708  584.814    72.402   559.383    98.175   615.137    107.202  66.364  6.1673  69.484  6.4314  -3.119774      8.910625 
1 1 1 -20 12  23 o 30.790  6.8862  125.286    50.157   148.064    64.695   90.968     79.411   33.141  8.1110  27.135  9.6237  6.005877       12.58593 
1 1 1 -20 12  24 o 58.389  4.7098  426.832    66.159   376.648    90.955   483.214    96.409   53.754  7.1509  61.280  6.5873  -7.526115      9.722555 
1 1 1 -20 12  25 o 43.575  7.1602  250.022    73.076   277.593    84.456   167.894    145.764  45.587  7.9228  34.963  12.947  10.62392       15.17869 
1 1 1 -20 12  26 o 49.583  6.7265  320.371    78.837   350.574    91.596   234.043    154.857  51.459  7.5614  39.269  13.473  12.18998       15.44938 
1 1 1 -20 12  27 o 49.239  6.7616  316.928    78.651   314.780    91.200   323.158    155.364  48.376  8.0527  45.513  13.259  2.863659       15.51304 
1 1 1 -20 12  28 o 23.035  8.0632  65.580     55.603   205.549    78.150   -77.9107   79.127   38.599  8.5678  16.079  7.6142  22.52015       11.46230 
1 1 1 -20 12  29 f 62.192  5.2351  490.780    78.265   451.512    109.441  531.882    111.968  58.008  7.9873  63.420  7.4162  -5.412579      10.89940 
1 1 1 -20 12  30 o 18.540  7.5995  22.331     54.571   36.544     77.996   8.7014     76.381   22.093  9.0739  20.030  8.6377  2.062618       12.52781 
1 1 1 -20 12  31 o 57.451  5.4156  421.796    74.603   417.210    106.143  426.275    104.877  55.466  8.1280  56.227  7.9057  -0.7612534     11.33858 
1 1 1 -20 12  32 o 28.495  10.079  110.481    87.049   228.479    195.438  81.279     97.226   37.666  14.735  26.543  10.390  11.12283       18.03018 
1 1 1 -20 12  33 o 52.474  8.9404  386.301    109.752  536.358    217.777  335.214    127.068  54.460  15.650  46.912  11.298  7.547932       19.30200 
1 1 1 -20 12  34 o 14.670  6.8060  -38.8121   57.927   -105.2475  83.327   23.324     80.585   15.426  7.4391  21.102  8.9808  -5.676618      11.66174 
1 1 1 -20 12  35 o 53.417  7.3330  387.708    92.536   134.945    136.921  600.224    125.548  30.806  12.245  65.967  8.0079  -35.16048      14.63103 
1 1 1 -20 12  36 o 21.220  8.2568  49.452     61.112   33.828     85.978   65.404     86.879   21.973  9.3110  24.191  9.7073  -2.217505      13.45087 
1 1 1 -20 12  37 f 25.730  8.8845  93.653     67.396   111.043    98.651   78.434     92.291   27.844  10.578  25.222  10.044  2.621601       14.58732 
1 1 1 -20 12  38 o 17.995  7.7804  10.698     62.297   45.994     84.289   -31.7933   92.483   22.340  9.3271  18.850  8.6937  3.490522       12.75051 
1 1 1 -20 12  39 o 16.745  7.4768  -6.3642    61.929   -35.2782   85.498   25.549     89.823   17.890  8.2889  21.316  9.2791  -3.425116      12.44220 
1 1 1 -20 12  40 o 25.159  8.7802  92.630     65.908   202.199    92.933   -18.2469   93.485   35.205  10.254  19.289  8.8386  15.91633       13.53790 
1 1 1 -20 12  41 o 35.887  8.3139  192.294    70.975   172.134    97.339   215.180    103.711  31.958  10.683  35.447  10.952  -3.488703      15.29969 
1 1 1 -20 12  42 o 67.210  8.3159  662.265    132.721  570.459    148.057  1037.83    299.456  59.226  10.696  63.507  18.381  -4.280315      21.26705 
1 1 1 -20 12  43 o 28.009  10.298  125.674    91.942   118.456    99.412   168.357    241.747  27.442  10.572  30.801  14.151  -3.358973      17.66356 
1 1 1 -20 12  44 o 21.325  8.4926  53.318     65.977   214.446    89.341   -139.9699  97.851   36.486  9.8581  15.546  7.6225  20.94008       12.46131 
1 1 1 -20 12  45 o 12.697  6.1287  -71.6258   56.863   -124.4199  76.546   -6.6182    84.940   13.599  6.6827  18.956  8.5847  -5.357477      10.87912 
1 1 1 -20 12  46 o 28.118  10.629  129.005    99.293   541.760    292.222  75.130     105.574  40.832  17.226  24.615  10.368  16.21693       20.10553 
1 1 1 -20 12  47 o 27.479  10.620  124.141    100.572  646.639    309.467  62.441     106.344  42.190  17.759  23.699  10.206  18.49152       20.48304 
1 1 1 -20 12  48 o 15.630  7.5371  -83.0800   85.497   -236.1696  256.143  -63.8851   90.699   22.613  11.299  16.783  8.0059  5.829611       13.84785 
1 1 1 -20 13  1  o 102.312 4.3567  1282.09    108.155  1287.32    148.897  1276.26    157.361  101.904 6.0489  101.323 6.4340  0.5816803      8.830998 
1 1 1 -20 13  2  o 146.082 4.5670  2615.87    161.879  2826.22    226.755  2397.24    231.171  151.196 6.1809  138.951 6.8566  12.24561       9.231288 
1 1 1 -20 13  3  o 90.192  4.3278  996.046    94.711   1121.47    141.039  893.033    127.819  95.072  6.1469  84.759  6.2593  10.31241       8.772862 
1 1 1 -20 13  4  o 110.008 4.2276  1481.21    112.845  1577.32    165.175  1397.09    154.529  112.849 6.0544  106.199 6.0217  6.649391       8.539107 
1 1 1 -20 13  5  o 154.735 4.6009  2935.47    172.740  3130.96    247.195  2748.90    241.487  159.026 6.4063  148.875 6.6851  10.15112       9.259113 
1 1 1 -20 13  6  o 155.704 6.4928  3003.94    245.300  4029.42    310.086  1289.00    400.998  179.966 7.1011  94.562  18.137  85.40369       19.47719 
1 1 1 -20 13  7  o 14.564  6.6298  -30.4886   51.479   65.891     95.268   -70.2368   61.181   26.850  10.347  14.139  6.6955  12.71067       12.32472 
1 1 1 -20 13  8  o 53.911  7.5119  369.347    95.593   652.931    195.810  280.610    109.533  70.006  11.957  46.069  10.079  23.93702       15.63818 
1 1 1 -20 13  9  o 68.912  6.6438  594.932    109.714  482.268    219.932  632.258    126.590  58.362  15.332  70.765  7.4862  -12.40308      17.06206 
1 1 1 -20 13  10 o 103.955 7.6190  1360.16    190.841  0.0000     0.0000   1360.16    190.841  ?       ?       103.955 7.6190  0.000000       7.619019 
1 1 1 -20 13  11 o 61.364  8.1889  481.928    118.885  0.0000     0.0000   481.928    118.885  ?       ?       61.364  8.1889  0.000000       8.188922 
1 1 1 -20 13  12 o 50.664  7.1819  326.882    85.816   0.0000     0.0000   326.882    85.816   ?       ?       50.664  7.1819  0.000000       7.181858 
1 1 1 -20 13  13 o 118.512 4.4013  1725.06    126.561  1861.15    184.669  1604.53    173.795  122.193 6.2494  113.389 6.3423  8.803658       8.903945 
1 1 1 -20 13  14 o 162.743 4.7991  3263.22    189.508  3532.94    269.705  3000.21    266.335  168.184 6.6091  154.646 7.0978  13.53781       9.698379 
1 1 1 -20 13  15 o 71.269  4.4074  627.055    75.841   665.853    102.393  579.898    112.885  72.986  5.8306  67.648  6.9775  5.337578       9.092871 
1 1 1 -20 13  16 o 18.066  7.0029  27.571     43.832   9.2016     56.276   55.901     69.888   18.046  7.5834  23.622  8.9205  -5.576138      11.70827 
1 1 1 -20 13  17 o 52.537  4.9827  344.451    62.758   305.823    83.501   394.596    95.138   48.705  7.2899  55.458  7.2432  -6.752670      10.27645 
1 1 1 -20 13  18 f 59.966  4.5962  446.665    66.367   390.133    89.203   516.755    99.324   55.251  6.7971  63.814  6.5057  -8.562462      9.408784 
1 1 1 -20 13  19 o 86.450  5.2382  932.797    109.359  881.587    123.825  1114.36    233.155  83.595  6.1478  90.637  10.815  -7.042122      12.44047 
1 1 1 -20 13  20 o 143.590 4.4968  2551.30    156.671  2213.42    218.584  2908.28    224.674  131.897 6.8536  152.073 6.0889  -20.17584      9.167685 
1 1 1 -20 13  21 o 45.502  5.3744  262.035    58.192   226.766    79.144   303.540    85.856   41.193  8.2065  48.097  7.6100  -6.904202      11.19192 
1 1 1 -20 13  22 o 16.472  6.8169  12.565     44.464   60.217     57.209   -60.1388   70.664   22.750  8.1577  15.800  7.3921  6.949975       11.00868 
1 1 1 -20 13  23 o 49.119  5.0534  304.435    59.369   247.483    79.273   377.178    89.591   43.066  7.8765  53.831  7.0268  -10.76530      10.55531 
1 1 1 -20 13  24 o 28.924  8.5997  113.499    64.791   103.184    74.802   144.484    129.642  27.959  9.3650  32.960  12.209  -5.001299      15.38708 
1 1 1 -20 13  25 f 44.670  7.3053  264.262    76.442   180.576    89.232   495.033    148.179  35.693  9.9371  58.994  10.748  -23.30040      14.63764 
1 1 1 -20 13  26 o 32.271  8.1607  142.827    63.941   115.782    73.920   223.201    127.432  29.101  9.2827  38.554  12.176  -9.453005      15.31121 
1 1 1 -20 13  27 o 34.211  6.5586  154.850    52.463   140.880    67.714   175.829    82.978   31.878  8.5695  35.236  9.4923  -3.357161      12.78828 
1 1 1 -20 13  28 o 51.298  5.8879  339.039    71.959   375.183    99.870   300.014    103.772  52.734  8.0612  46.110  9.5877  6.623379       12.52623 
1 1 1 -20 13  29 o 35.332  7.7066  170.181    64.208   175.519    89.796   164.596    91.846   34.861  10.059  33.748  10.286  1.113327       14.38643 
1 1 1 -20 13  30 o 52.140  6.0253  352.316    74.824   375.218    105.989  329.562    105.645  52.158  8.6800  48.366  9.3403  3.791401       12.75079 
1 1 1 -20 13  31 o 21.908  9.0682  35.072     78.701   -43.4333   161.965  59.338     90.046   24.908  11.494  24.519  9.8672  0.3894863      15.14833 
1 1 1 -20 13  32 o 32.192  10.380  152.310    92.242   124.773    175.146  162.879    108.510  31.911  13.393  33.006  11.278  -1.094921      17.50888 
1 1 1 -20 13  33 o 16.644  7.4065  -10.2474   60.217   46.857     85.107   -67.4937   85.213   23.054  9.4748  16.997  8.0042  6.057234       12.40321 
1 1 1 -20 13  34 o 24.472  8.5925  79.997     63.166   -22.4476   90.641   176.722    88.075   19.438  8.8287  34.252  9.9845  -14.81313      13.32806 
1 1 1 -20 13  35 o 23.236  8.5343  69.181     63.116   73.772     90.907   64.909     87.700   25.002  9.9651  24.193  9.7373  0.8091297      13.93259 
1 1 1 -20 13  36 f 10.678  5.3179  -127.5429  54.778   -125.1476  81.118   -129.5508  74.269   14.355  7.0177  13.370  6.5728  0.9848356      9.615104 
1 1 1 -20 13  37 o 46.947  7.0003  303.499    77.305   243.928    106.912  368.767    111.909  38.675  10.916  49.322  9.6968  -10.64627      14.60095 
1 1 1 -20 13  38 o 19.263  8.1232  25.990     64.934   -10.7618   90.001   65.891     93.778   19.434  8.8155  24.024  9.9178  -4.590317      13.26935 
1 1 1 -20 13  39 o 23.964  8.6539  81.280     64.504   24.373     87.109   150.366    95.979   20.893  9.1154  30.257  10.594  -9.363733      13.97548 
1 1 1 -20 13  40 o 19.120  7.9957  29.794     62.086   -26.4830   83.140   100.741    93.350   17.858  8.2385  26.104  10.192  -8.246786      13.10502 
1 1 1 -20 13  41 o 21.913  9.4117  41.375     89.983   12.749     95.778   256.694    262.679  20.757  9.2809  33.077  15.026  -12.32058      17.66093 
1 1 1 -20 13  42 o 28.083  10.340  127.464    92.736   131.081    100.251  106.010    244.134  28.320  10.687  29.103  13.656  -0.7832375     17.34002 
1 1 1 -20 13  43 o 24.158  8.6086  84.783     63.614   89.354     88.509   79.899     91.494   25.075  9.8835  24.480  9.9129  0.5949097      13.99814 
1 1 1 -20 13  44 o 13.150  6.2974  -61.8261   57.309   -75.5528   76.768   -44.5462   86.132   15.155  7.2659  17.357  8.1335  -2.201449      10.90628 
1 1 1 -20 13  45 o 31.671  10.664  171.663    96.991   128.381    238.863  180.208    106.135  29.443  13.714  31.992  11.143  -2.549503      17.67019 
1 1 1 -20 13  46 f 24.804  9.9689  88.286     91.778   179.395    234.523  71.809     99.732   30.280  13.921  23.978  10.087  6.302011       17.19118 
1 1 1 -20 13  47 o 24.274  9.8574  85.320     90.747   125.792    236.871  78.359     98.243   28.231  13.310  24.024  10.053  4.206976       16.67970 
1 1 1 -20 14  1  o 61.843  4.9647  473.104    73.870   495.970    102.367  448.259    106.704  62.806  6.8273  59.434  7.5711  3.372391       10.19480 
1 1 1 -20 14  2  o 30.545  6.0340  119.249    43.134   38.508     81.274   150.909    50.894   23.474  9.3998  34.387  6.3330  -10.91299      11.33415 
1 1 1 -20 14  3  o 8.1742  4.1165  -117.6031  37.495   -272.4076  85.511   -80.7550   41.719   12.191  6.1489  10.203  4.9973  1.988333       7.923463 
1 1 1 -20 14  4  o 42.605  6.2230  229.217    62.435   250.340    104.152  217.369    78.004   43.448  10.075  40.944  8.1384  2.504536       12.95153 
1 1 1 -20 14  5  o 43.968  6.1532  243.697    63.847   204.763    105.927  265.913    80.016   39.205  10.794  45.582  7.4954  -6.376442      13.14085 
1 1 1 -20 14  6  o 61.722  5.1152  471.933    75.917   446.074    119.961  489.209    98.048   58.884  8.6543  62.441  6.5701  -3.556881      10.86571 
1 1 1 -20 14  7  o 33.358  8.8717  145.943    73.055   -171.7555  160.470  229.004    82.052   22.709  10.780  41.958  8.3531  -19.24921      13.63750 
1 1 1 -20 14  8  o 46.676  7.5924  279.374    83.033   157.238    185.115  310.136    92.903   37.817  14.461  49.070  8.0844  -11.25311      16.56727 
1 1 1 -20 14  9  o 62.882  6.8245  498.287    102.455  644.396    198.089  444.926    119.711  69.068  12.270  58.717  8.6627  10.35134       15.01949 
1 1 1 -20 14  10 o 47.056  9.2331  291.194    101.655  0.0000     0.0000   291.194    101.655  ?       ?       47.056  9.2331  0.000000       9.233139 
1 1 1 -20 14  11 o 23.774  8.7581  59.433     66.541   0.0000     0.0000   59.433     66.541   ?       ?       23.774  8.7581  0.000000       8.758066 
1 1 1 -20 14  12 o 42.114  8.0930  231.297    79.694   0.0000     0.0000   231.297    79.694   ?       ?       42.114  8.0930  0.000000       8.093000 
1 1 1 -20 14  13 o 78.223  4.5774  755.833    86.501   805.028    131.367  718.174    114.935  79.877  6.8440  75.632  6.3210  4.245079       9.316399 
1 1 1 -20 14  14 o 73.813  4.2912  672.286    76.525   619.019    109.795  722.605    106.715  70.044  6.5358  76.008  5.8307  -5.964127      8.758633 
1 1 1 -20 14  15 o 66.126  4.4085  540.934    70.329   546.206    99.833   535.740    99.090   65.786  6.3325  65.140  6.3500  0.6459503      8.967887 
1 1 1 -20 14  16 o 120.313 4.3271  1783.84    126.320  1630.96    174.946  1950.36    182.587  113.863 6.3576  124.896 6.0250  -11.03246      8.758977 
1 1 1 -20 14  17 o 147.951 4.5116  2704.07    161.963  2440.39    225.751  2983.75    232.499  139.068 6.6902  154.180 6.2148  -15.11240      9.131394 
1 1 1 -20 14  18 o 113.640 5.2389  1607.75    144.455  1575.47    165.420  1711.43    296.473  111.826 6.1197  112.073 11.046  -0.2465515     12.62790 
1 1 1 -20 14  19 o 36.098  6.4953  169.232    54.799   101.778    72.549   258.842    83.619   28.022  9.2169  44.171  8.1004  -16.14996      12.27065 
1 1 1 -20 14  20 o 35.745  6.5190  166.480    54.457   202.585    70.326   112.409    86.063   39.058  7.6943  29.414  10.044  9.644634       12.65261 
1 1 1 -20 14  21 o 58.845  4.8706  434.193    68.918   434.267    92.420   434.101    103.438  58.039  6.6849  57.552  7.5925  0.4869537      10.11602 
1 1 1 -20 14  22 o 78.208  4.3393  761.155    82.022   700.737    113.795  826.487    118.332  73.946  6.4055  80.540  6.1004  -6.594063      8.845637 
1 1 1 -20 14  23 o 19.049  7.7778  23.669     56.885   49.956     65.079   -61.4532   117.110  22.224  8.5557  21.109  9.7522  1.115253       12.97330 
1 1 1 -20 14  24 o 57.046  6.2513  419.543    85.110   411.089    101.314  439.818    156.891  55.638  7.7121  54.290  12.207  1.348232       14.43876 
1 1 1 -20 14  25 o 40.144  7.8233  217.808    73.465   134.783    85.227   457.870    144.923  31.074  9.9733  56.267  11.009  -25.19289      14.85497 
1 1 1 -20 14  26 o 27.992  7.2788  105.995    49.901   87.974     67.294   128.009    74.377   25.957  8.8817  30.314  9.2598  -4.357340      12.83070 
1 1 1 -20 14  27 o 77.039  4.7715  746.875    88.754   634.349    122.128  872.820    129.205  69.272  7.3796  82.043  6.5449  -12.77095      9.863792 
1 1 1 -20 14  28 o 57.813  5.3551  426.352    74.268   421.216    101.993  432.147    108.356  56.060  7.7016  56.491  8.1401  -0.4308167     11.20610 
1 1 1 -20 14  29 o 45.608  6.5286  273.632    70.187   247.276    101.751  297.555    96.941   41.132  10.236  46.102  8.9891  -4.969524      13.62284 
1 1 1 -20 14  30 o 30.509  10.248  132.835    89.576   234.158    170.931  94.475     105.174  37.887  14.022  27.816  10.829  10.07146       17.71701 
1 1 1 -20 14  31 o 35.148  10.273  183.831    93.132   397.692    178.182  103.445    109.242  47.994  14.259  28.453  11.048  19.54068       18.03867 
1 1 1 -20 14  32 o 42.313  9.8924  264.364    99.745   336.325    191.356  237.518    116.879  42.742  14.958  38.818  11.552  3.924480       18.90006 
1 1 1 -20 14  33 o 40.324  7.3044  223.016    68.836   309.480    94.660   125.979    100.281  46.633  8.6854  29.477  10.768  17.15573       13.83408 
1 1 1 -20 14  34 o 38.844  7.6946  211.270    69.958   231.724    100.182  191.803    97.735   38.638  10.439  35.009  10.597  3.629150       14.87511 
1 1 1 -20 14  35 o 24.682  8.5601  84.678     62.598   98.174     92.722   73.375     84.855   26.681  10.227  24.481  9.6685  2.200027       14.07371 
1 1 1 -20 14  36 o 34.335  8.2529  172.250    67.905   151.969    94.464   193.936    97.680   30.931  10.523  34.637  10.617  -3.705973      14.94851 
1 1 1 -20 14  37 o 27.424  8.8702  112.778    67.318   81.425     90.468   151.677    100.769  24.936  9.9402  30.509  10.839  -5.573715      14.70665 
1 1 1 -20 14  38 o 24.031  8.7013  81.952     65.277   104.245    87.385   53.806     98.187   26.409  9.9745  23.291  9.9127  3.118595       14.06241 
1 1 1 -20 14  39 o 20.521  8.3302  44.896     64.781   3.2020     87.431   95.645     96.460   19.653  8.8216  25.759  10.265  -6.105642      13.53517 
1 1 1 -20 14  40 o 34.068  10.671  198.467    98.072   224.616    105.173  24.211     271.503  35.921  11.018  27.811  13.416  8.109556       17.36024 
1 1 1 -20 14  41 o 22.451  9.4021  54.697     86.024   109.330    90.964   -407.6706  264.629  26.558  10.141  21.691  10.925  4.867355       14.90646 
1 1 1 -20 14  42 o 38.884  8.0146  223.326    73.102   209.844    98.015   240.226    109.740  35.111  10.609  36.914  11.241  -1.802639      15.45689 
1 1 1 -20 14  43 f 35.972  8.4040  195.209    72.028   148.709    97.361   251.430    107.055  29.748  10.645  38.210  10.970  -8.462221      15.28600 
1 1 1 -20 14  44 o 54.809  9.1199  460.129    117.022  682.123    253.758  400.167    131.883  50.261  17.246  48.023  11.475  2.238277       20.71472 
1 1 1 -20 14  45 o 32.833  10.727  188.794    98.339   129.733    242.291  200.442    107.600  29.027  13.615  33.271  11.232  -4.243616      17.64953 
1 1 1 -20 14  46 o 24.616  10.079  88.398     95.861   -273.7158  221.253  172.082    106.362  20.868  10.438  30.602  11.103  -9.733311      15.23934 
1 1 1 -20 15  1  o 65.132  4.5480  523.361    71.424   660.352    108.482  418.541    94.893   72.710  6.2085  57.548  6.9355  15.16191       9.308418 
1 1 1 -20 15  2  o 71.396  4.4779  628.047    77.180   691.921    119.164  581.891    101.297  74.278  6.6834  68.234  6.1856  6.043625       9.106562 
1 1 1 -20 15  3  o 76.358  4.4842  718.080    82.717   872.876    124.551  595.932    110.640  83.678  6.1781  68.885  6.7044  14.79353       9.116919 
1 1 1 -20 15  4  o 66.708  4.7102  549.535    75.749   644.688    117.358  481.585    99.174   71.618  6.8365  61.853  6.7159  9.764668       9.583407 
1 1 1 -20 15  5  o 15.232  7.0818  -53.3038   63.235   281.685    148.748  -127.1992  69.863   45.268  12.911  13.364  6.5289  31.90423       14.46750 
1 1 1 -20 15  6  o 36.200  9.0835  173.181    79.657   318.937    174.901  135.036    89.475   47.768  14.112  32.357  10.201  15.41064       17.41299 
1 1 1 -20 15  7  o 81.365  6.2125  826.836    121.722  947.068    219.097  773.160    146.393  84.738  10.909  78.007  7.8404  6.730247       13.43460 
1 1 1 -20 15  8  o 71.160  6.4922  635.636    110.862  787.995    206.604  574.029    131.378  76.826  11.431  66.902  8.2692  9.924225       14.10878 
1 1 1 -20 15  9  o 73.016  6.2884  668.154    110.322  0.0000     0.0000   668.154    110.322  ?       ?       73.016  6.2884  0.000000       6.288368 
1 1 1 -20 15  10 o 136.527 6.4002  2324.84    212.019  0.0000     0.0000   2324.84    212.019  ?       ?       136.527 6.4002  0.000000       6.400202 
1 1 1 -20 15  11 o 61.507  6.6239  478.285    97.298   0.0000     0.0000   478.285    97.298   ?       ?       61.507  6.6239  0.000000       6.623936 
1 1 1 -20 15  12 o 43.119  6.1171  236.062    62.206   270.403    99.856   214.284    79.521   45.001  9.4460  40.307  8.4032  4.694569       12.64285 
1 1 1 -20 15  13 o 109.442 4.2472  1473.80    112.786  1350.80    159.548  1596.67    159.459  103.693 6.3721  113.074 5.8318  -9.381264      8.637919 
1 1 1 -20 15  14 o 91.575  4.1945  1032.30    93.201   1057.46    132.722  1007.82    130.910  91.822  5.9899  89.600  6.0570  2.222351       8.518574 
1 1 1 -20 15  15 o 67.354  4.4392  562.207    72.143   574.669    102.611  550.025    101.449  67.372  6.3520  65.866  6.4298  1.505707       9.038207 
1 1 1 -20 15  16 o 64.163  4.7851  512.774    73.962   508.432    112.505  516.078    98.153   62.715  7.5446  63.715  6.4372  -0.9993553     9.917597 
1 1 1 -20 15  17 o 52.656  6.3987  354.448    80.074   318.927    87.232   544.624    201.841  49.447  7.5065  60.464  14.029  -11.01706      15.91098 
1 1 1 -20 15  18 o 39.944  5.7150  203.788    53.812   188.029    70.578   225.670    83.165   37.509  7.9989  40.901  8.6503  -3.391895      11.78173 
1 1 1 -20 15  19 o 39.001  5.8798  195.354    53.914   149.598    71.096   257.273    82.706   33.135  8.7233  43.933  8.0554  -10.79885      11.87370 
1 1 1 -20 15  20 f 78.528  4.4620  767.968    84.668   633.682    114.703  928.725    125.500  70.093  6.8311  85.456  6.0924  -15.36288      9.153208 
1 1 1 -20 15  21 o 62.550  4.6330  489.765    69.815   499.147    95.049   478.773    102.881  62.311  6.3764  60.595  7.1340  1.715984       9.568324 
1 1 1 -20 15  22 o 30.176  8.9159  125.115    69.812   88.158     74.880   370.713    193.032  26.419  9.3478  47.565  14.982  -21.14668      17.65935 
1 1 1 -20 15  23 o 52.050  6.8629  354.557    84.560   250.167    98.056   657.424    167.021  42.037  9.7950  68.288  10.409  -26.25167      14.29312 
1 1 1 -20 15  24 o 80.359  5.9109  826.079    114.444  797.159    137.736  890.564    205.674  77.830  7.3818  78.714  11.075  -0.8837357     13.30958 
1 1 1 -20 15  25 o 53.127  5.0213  357.862    63.961   290.700    89.298   428.622    91.657   46.174  8.2742  57.255  6.7258  -11.08084      10.66298 
1 1 1 -20 15  26 o 27.301  7.9484  101.761    55.847   119.394    79.666   84.724     78.310   29.363  9.6585  26.029  9.5143  3.333601       13.55756 
1 1 1 -20 15  27 o 48.039  6.1186  300.086    69.700   292.303    97.961   308.066    99.193   45.616  9.1685  46.951  9.0350  -1.334717      12.87220 
1 1 1 -20 15  28 o 36.476  7.4801  180.991    63.980   116.105    86.358   259.941    95.259   29.008  10.055  42.680  9.4480  -13.67231      13.79713 
1 1 1 -20 15  29 f 23.974  9.4834  60.240     81.759   214.919    174.406  16.674     92.560   36.666  14.033  21.935  9.4837  14.73101       16.93680 
1 1 1 -20 15  30 o 30.945  10.337  139.540    91.131   130.379    173.469  143.033    107.101  31.996  13.371  31.311  11.169  0.6852474      17.42220 
1 1 1 -20 15  31 o 59.751  8.0874  492.025    114.237  659.189    211.978  423.605    135.615  61.904  14.386  52.873  10.932  9.030987       18.06867 
1 1 1 -20 15  32 o 84.656  4.8960  914.342    100.138  888.179    138.605  942.909    144.833  81.287  7.0986  83.644  7.2066  -2.356926      10.11562 
1 1 1 -20 15  33 o 51.530  6.2625  353.324    76.693   294.398    108.619  411.905    108.301  43.733  10.390  53.746  8.5942  -10.01270      13.48362 
1 1 1 -20 15  34 o 52.871  6.0263  371.252    75.929   394.114    106.036  347.194    108.774  52.249  8.6677  48.060  9.6628  4.189102       12.98070 
1 1 1 -20 15  35 o 21.932  8.2531  60.517     59.702   27.704     84.213   93.672     84.652   21.118  9.0885  25.870  9.8060  -4.752026      13.37007 
1 1 1 -20 15  36 o 21.236  8.2867  53.253     61.692   89.958     86.296   14.887     88.226   25.417  9.8333  20.556  9.0645  4.861155       13.37384 
1 1 1 -20 15  37 o 18.843  8.0458  21.838     65.067   -95.3864   91.446   142.048    92.603   16.175  7.7985  29.538  10.401  -13.36379      13.00020 
1 1 1 -20 15  38 o 17.334  7.6431  4.3157     62.714   78.561     84.278   -87.8100   93.879   24.127  9.6016  16.585  7.9732  7.542135       12.48049 
1 1 1 -20 15  39 f 23.846  9.8076  72.338     91.275   88.836     96.083   -80.2427   292.207  25.120  10.163  26.478  13.021  -1.358465      16.51771 
1 1 1 -20 15  40 o 25.061  10.075  89.415     93.788   61.297     99.916   297.800    272.001  23.486  9.9977  33.621  15.279  -10.13567      18.25966 
1 1 1 -20 15  41 o 26.665  8.7298  109.309    65.111   58.988     90.011   164.539    94.300   22.889  9.6032  31.082  10.514  -8.193466      14.23990 
1 1 1 -20 15  42 o 23.697  8.5990  80.941     63.800   101.972    87.935   57.564     92.709   25.932  9.9547  22.968  9.6969  2.963701       13.89697 
1 1 1 -20 15  43 f 15.048  7.2353  -78.8926   77.374   -173.5079  190.336  -60.1618   84.687   21.326  10.492  16.526  7.8408  4.800453       13.09775 
1 1 1 -20 15  44 o 16.750  7.8386  -39.2275   79.547   -206.3798  220.939  -14.3322   85.266   22.050  10.931  18.406  8.4368  3.643621       13.80782 
1 1 1 -20 15  45 o 33.024  11.022  199.836    103.606  339.163    231.497  164.939    115.856  34.508  14.959  29.751  11.425  4.757271       18.82297 
1 1 1 -20 16  1  o 63.206  4.6227  493.839    70.403   461.989    111.369  515.039    90.861   60.095  7.8232  64.189  5.8999  -4.093834      9.798501 
1 1 1 -20 16  2  o 16.455  6.8612  8.6390     45.529   -22.0477   82.818   21.930     54.504   19.632  8.7133  18.958  7.6601  0.6742096      11.60168 
1 1 1 -20 16  3  o 65.896  6.4042  545.367    101.104  586.965    194.825  530.036    118.278  65.382  12.739  64.469  7.7144  0.9129715      14.89241 
1 1 1 -20 16  4  o 25.521  8.9281  75.829     68.167   26.150     160.680  86.733     75.277   29.541  12.629  27.041  9.3866  2.499191       15.73556 
1 1 1 -20 16  5  o 43.426  7.9165  244.740    80.342   411.364    169.942  196.780    91.174   54.299  13.059  38.368  9.7680  15.93063       16.30770 
1 1 1 -20 16  6  o 50.233  7.4874  323.711    88.472   329.294    177.314  321.861    102.087  48.188  14.201  49.600  8.8051  -1.412086      16.70948 
1 1 1 -20 16  7  o 23.711  8.9185  56.329     69.700   31.019     159.089  62.341     77.537   29.552  12.599  24.906  9.3983  4.645805       15.71790 
1 1 1 -20 16  8  o 97.100  6.0369  1177.58    141.528  0.0000     0.0000   1177.58    141.528  ?       ?       97.100  6.0369  0.000000       6.036918 
1 1 1 -20 16  9  o 61.165  6.5714  473.092    95.998   0.0000     0.0000   473.092    95.998   ?       ?       61.165  6.5714  0.000000       6.571403 
1 1 1 -20 16  10 o 98.940  6.2239  1227.12    148.656  0.0000     0.0000   1227.12    148.656  ?       ?       98.940  6.2239  0.000000       6.223909 
1 1 1 -20 16  11 o 25.108  7.8611  80.223     53.231   7.5508     94.269   114.242    64.497   22.502  9.6482  29.466  8.5313  -6.963825      12.87906 
1 1 1 -20 16  12 o 64.400  4.5267  514.146    70.284   509.852    99.507   518.420    99.288   63.395  6.5641  63.962  6.4872  -0.5672989     9.228819 
1 1 1 -20 16  13 o 108.011 4.2009  1437.31    110.097  1359.70    156.372  1513.60    155.037  103.942 6.2289  109.924 5.8336  -5.982544      8.534029 
1 1 1 -20 16  14 o 40.711  5.5552  210.261    53.443   280.243    74.148   134.601    77.098   46.672  6.7432  31.668  9.3731  15.00330       11.54666 
1 1 1 -20 16  15 o 53.825  4.8000  362.025    62.030   353.789    86.948   370.561    88.520   52.359  7.0207  53.627  6.9676  -1.267616      9.891310 
1 1 1 -20 16  16 o 87.326  4.2226  942.226    89.472   930.145    126.754  954.223    126.312  85.715  6.1351  86.884  6.0289  -1.168884      8.601531 
1 1 1 -20 16  17 f 74.774  4.3300  694.359    78.224   677.743    109.029  711.984    112.294  72.988  6.2156  74.805  6.2438  -1.816887      8.810158 
1 1 1 -20 16  18 o 121.400 4.4240  1828.39    130.317  1597.75    181.371  2074.53    187.366  111.713 6.7224  128.108 6.0277  -16.39492      9.029061 
1 1 1 -20 16  19 o 33.819  7.0285  151.763    55.793   151.572    73.031   152.030    86.465   33.187  8.8904  33.042  9.9597  0.1442680      13.35050 
1 1 1 -20 16  20 o 15.198  6.5537  -0.1743    43.966   -47.2770   57.581   65.683     68.086   14.381  6.7100  23.920  8.8503  -9.538817      11.10636 
1 1 1 -20 16  21 o 49.697  7.3705  326.737    86.183   340.814    95.018   261.434    204.657  50.395  8.0408  40.647  15.284  9.747871       17.26970 
1 1 1 -20 16  22 o 71.745  6.3457  663.914    109.329  672.775    123.496  631.802    235.085  71.626  7.2036  61.229  15.737  10.39673       17.30781 
1 1 1 -20 16  23 o 44.815  7.6387  269.739    80.084   244.186    88.058   391.970    192.590  41.877  8.9384  48.243  14.928  -6.365711      17.39932 
1 1 1 -20 16  24 o 65.014  4.7013  532.255    73.663   537.264    102.902  526.990    105.497  64.138  6.7116  63.335  6.9808  0.8021469      9.683828 
1 1 1 -20 16  25 o 56.698  5.3445  410.227    72.658   416.255    102.095  404.040    103.426  55.662  7.7712  54.649  8.0402  1.013344       11.18196 
1 1 1 -20 16  26 o 82.664  4.6616  860.008    93.118   927.037    132.560  794.712    130.835  84.411  6.5228  77.718  7.0137  6.692963       9.578032 
1 1 1 -20 16  27 o 60.867  5.2139  472.497    76.259   617.504    108.252  329.641    107.447  68.694  6.5750  48.087  9.5456  20.60727       11.59089 
1 1 1 -20 16  28 o 53.152  8.3868  389.953    104.577  266.962    221.953  425.048    118.562  39.118  15.577  54.860  9.2350  -15.74182      18.10899 
1 1 1 -20 16  29 o 62.487  7.5178  527.196    111.697  741.296    235.377  464.970    126.895  65.055  15.187  56.996  9.5108  8.059357       17.91961 
1 1 1 -20 16  30 o 58.072  8.1146  466.208    111.216  394.791    216.696  491.748    129.585  44.774  15.896  58.448  9.4607  -13.67435      18.49792 
1 1 1 -20 16  31 o 64.511  5.4447  538.794    84.429   683.849    117.314  382.941    121.602  71.467  6.8491  50.449  10.283  21.01817       12.35502 
1 1 1 -20 16  32 o 15.036  6.9351  -31.9339   58.864   -82.3961   84.277   16.132     82.252   16.137  7.7031  20.497  8.9009  -4.359259      11.77135 
1 1 1 -20 16  33 o 55.382  5.9099  406.125    78.190   372.952    107.351  443.609    114.112  50.324  9.1278  55.295  8.8000  -4.971672      12.67900 
1 1 1 -20 16  34 o 79.710  5.1101  824.267    98.313   866.440    139.158  782.242    138.913  79.108  7.3332  74.565  7.7931  4.542671       10.70083 
1 1 1 -20 16  35 o 62.710  5.5069  518.878    82.944   542.338    115.918  494.264    118.733  61.593  7.9412  57.925  8.7180  3.668808       11.79264 
1 1 1 -20 16  36 o 20.433  8.0769  47.695     59.267   83.971     85.031   13.421     82.652   24.676  9.6998  19.850  8.7623  4.826384       13.07147 
1 1 1 -20 16  37 o 29.806  8.6305  136.814    66.004   155.461    91.726   116.791    95.049   30.478  10.370  27.190  10.370  3.288191       14.66548 
1 1 1 -20 16  38 o 14.931  7.2244  -91.8763   80.178   -74.3728   83.571   -294.3804  284.257  15.891  7.6085  23.482  11.759  -7.591915      14.00543 
1 1 1 -20 16  39 o 35.389  10.990  220.909    104.281  162.152    112.038  601.705    285.221  30.190  11.317  42.700  17.423  -12.50970      20.77580 
1 1 1 -20 16  40 o 20.789  8.3416  50.299     64.147   102.818    89.507   -5.1599    91.978   25.903  10.017  19.463  8.8607  6.439938       13.37317 
1 1 1 -20 16  41 o 21.494  8.5857  56.056     67.620   5.3291     90.619   119.790    101.574  19.880  8.9473  27.299  10.639  -7.419102      13.90079 
1 1 1 -20 16  42 o 24.316  8.6512  87.712     64.221   99.726     89.168   74.764     92.572   25.662  9.9768  23.963  9.8688  1.699568       14.03317 
1 1 1 -20 16  43 o 24.933  10.148  89.680     96.445   134.531    229.522  80.062     106.284  28.880  13.448  24.609  10.386  4.270361       16.99199 
1 1 1 -20 16  44 o 36.486  11.053  242.099    106.297  420.106    233.508  195.569    119.384  37.436  15.568  31.749  11.725  5.687593       19.48934 
1 1 1 -20 16  45 o 22.645  9.7123  62.673     95.572   340.310    234.736  7.5036     104.638  33.253  14.718  20.392  9.3467  12.86133       17.43534 
1 1 1 -20 17  1  o 53.085  6.7401  357.860    84.860   306.241    174.379  373.878    97.138   46.449  14.176  53.951  7.6335  -7.501896      16.10082 
1 1 1 -20 17  2  o 49.997  6.9977  319.105    82.565   374.558    167.497  301.306    94.894   51.490  13.310  48.033  8.4507  3.457169       15.76579 
1 1 1 -20 17  3  o 26.588  8.9082  86.927     67.683   276.486    163.254  47.582     74.376   44.380  13.746  23.349  9.1023  21.03045       16.48637 
1 1 1 -20 17  4  o 23.886  8.8294  60.262     67.733   91.131     152.300  52.652     75.623   32.044  12.855  23.881  9.2146  8.162836       15.81624 
1 1 1 -20 17  5  o 130.825 6.2250  2135.27    197.603  2144.03    319.054  2129.82    251.684  127.671 10.389  129.242 8.0661  -1.570671      13.15303 
1 1 1 -20 17  6  o 57.086  5.2124  406.508    71.402   479.496    113.880  359.227    91.656   61.038  7.8727  52.921  7.3351  8.116756       10.76027 
1 1 1 -20 17  7  o 20.617  7.8089  40.804     53.656   -51.6653   98.054   80.328     64.106   19.948  9.1072  25.644  8.6692  -5.696257      12.57363 
1 1 1 -20 17  8  o 36.187  8.6803  174.513    75.238   0.0000     0.0000   174.513    75.238   ?       ?       36.187  8.6803  0.000000       8.680295 
1 1 1 -20 17  9  o 35.677  9.0526  170.815    78.493   0.0000     0.0000   170.815    78.493   ?       ?       35.677  9.0526  0.000000       9.052596 
1 1 1 -20 17  10 o 58.051  6.2556  426.794    86.722   322.738    206.257  449.140    95.581   46.633  15.551  59.365  6.7559  -12.73171      16.95474 
1 1 1 -20 17  11 o 86.783  4.4509  932.117    93.409   797.948    136.149  1051.43    128.393  79.028  7.1785  91.562  5.8092  -12.53407      9.234594 
1 1 1 -20 17  12 o 53.447  4.7307  356.360    60.716   295.563    83.878   423.282    88.002   47.639  7.5047  57.667  6.3971  -10.02779      9.861214 
1 1 1 -20 17  13 o 65.614  4.4966  534.977    71.158   530.176    100.281  539.846    100.987  64.504  6.4956  65.102  6.4791  -0.5980148     9.174547 
1 1 1 -20 17  14 o 36.736  6.0573  173.834    52.111   114.649    71.943   239.163    75.585   29.355  9.1304  42.622  7.5868  -13.26635      11.87112 
1 1 1 -20 17  15 o 65.323  4.4784  531.237    70.555   477.210    99.197   586.552    100.373  60.875  6.8339  67.907  6.1586  -7.032860      9.199489 
1 1 1 -20 17  16 o 30.296  6.7898  121.359    48.676   154.578    66.844   83.858     71.023   33.789  8.2296  25.998  9.1122  7.790817       12.27837 
1 1 1 -20 17  17 o 113.934 4.3371  1610.41    119.898  1621.17    169.827  1599.71    169.299  112.853 6.2261  112.081 6.2501  0.7715225      8.822006 
1 1 1 -20 17  18 o 59.971  4.7477  451.288    68.521   437.788    94.531   466.234    99.465   58.052  6.8425  59.850  6.9803  -1.798077      9.774703 
1 1 1 -20 17  19 f 32.235  8.5949  143.248    68.455   143.435    73.383   141.995    190.016  32.148  9.0333  34.478  14.162  -2.330254      16.79778 
1 1 1 -20 17  20 o 62.817  6.5313  511.371    98.094   434.018    110.914  789.162    210.188  56.743  8.3014  72.928  12.317  -16.18518      14.85320 
1 1 1 -20 17  21 o 78.522  6.1906  793.330    116.990  766.868    135.173  872.319    233.541  76.282  7.3960  75.411  13.247  0.8708801      15.17152 
1 1 1 -20 17  22 o 54.222  7.1309  388.627    91.542   355.961    102.679  515.185    202.105  50.939  8.6145  55.683  14.731  -4.744144      17.06487 
1 1 1 -20 17  23 o 57.891  5.5970  429.466    77.638   404.944    113.312  451.165    106.590  54.083  8.9477  57.985  7.7715  -3.902134      11.85144 
1 1 1 -20 17  24 o 22.030  8.1486  56.182     57.709   149.311    86.575   -18.2857   77.416   32.227  10.015  18.503  8.3035  13.72404       13.00932 
1 1 1 -20 17  25 o 15.935  6.9583  -2.8440    50.856   74.787     73.525   -74.0549   70.419   24.767  9.1903  14.957  7.1120  9.809901       11.62079 
1 1 1 -20 17  26 o 39.476  7.3297  211.023    67.622   229.821    89.715   186.295    102.900  39.993  9.4034  35.224  10.914  4.769321       14.40593 
1 1 1 -20 17  27 o 25.970  9.7246  85.129     82.689   198.529    181.364  55.370     92.907   35.566  14.107  24.299  9.9329  11.26680       17.25294 
1 1 1 -20 17  28 o 39.991  9.8091  235.847    94.459   431.074    200.007  179.801    107.163  48.311  15.254  34.219  11.199  14.09240       18.92404 
1 1 1 -20 17  29 f 29.980  10.090  132.002    86.837   273.472    191.017  95.149     97.494   38.716  14.717  27.093  10.460  11.62329       18.05571 
1 1 1 -20 17  30 o 16.427  7.2358  -3.3786    56.064   57.227     81.447   -57.9532   77.289   23.294  9.3808  16.293  7.6573  7.000956       12.10923 
1 1 1 -20 17  31 o 13.117  6.1797  -45.2939   50.903   -64.2012   78.224   -31.4067   67.040   16.079  7.6011  16.153  7.4324  -0.7435608E-01 10.63097 
1 1 1 -20 17  32 o 18.207  7.6416  20.929     57.026   -32.5235   91.466   54.919     72.937   18.750  8.6470  22.285  8.9113  -3.534430      12.41702 
1 1 1 -20 17  33 o 24.076  8.4644  81.287     61.306   157.416    88.978   12.486     84.588   31.433  10.201  20.195  8.8921  11.23721       13.53254 
1 1 1 -20 17  34 o 55.094  5.8904  406.259    77.522   371.425    111.854  438.457    107.539  48.950  9.7599  54.855  8.3425  -5.905045      12.83954 
1 1 1 -20 17  35 o 34.198  8.4056  176.204    69.253   180.542    96.806   171.656    99.113   32.679  10.642  31.783  10.779  0.8965454      15.14738 
1 1 1 -20 17  36 o 37.983  7.9202  212.925    70.631   287.912    99.049   135.343    100.747  42.346  9.8292  28.520  10.723  13.82504       14.54664 
1 1 1 -20 17  37 o 27.551  10.481  124.295    96.928   140.115    109.262  65.854     210.005  28.630  11.068  27.057  12.686  1.572294       16.83537 
1 1 1 -20 17  38 o 21.782  9.3642  43.846     89.217   71.057     94.397   -183.8589  273.071  23.712  9.8827  24.249  12.043  -0.5374966     15.57907 
1 1 1 -20 17  39 o 31.261  10.958  173.420    102.709  79.685     109.968  813.945    287.464  24.766  10.514  51.300  18.298  -26.53465      21.10352 
1 1 1 -20 17  40 o 17.474  7.6877  7.4443     63.116   0.4895     85.219   15.894     93.935   19.150  8.6423  20.596  9.2013  -1.445450      12.62352 
1 1 1 -20 17  41 o 29.093  8.9803  134.065    69.747   198.067    93.944   55.456     104.113  34.012  10.410  23.227  10.050  10.78510       14.46969 
1 1 1 -20 17  42 o 20.922  9.2291  27.542     91.538   -0.0003    216.269  33.553     101.034  25.386  12.177  21.813  9.6554  3.572456       15.54061 
1 1 1 -20 17  43 f 23.834  9.7253  80.378     88.869   -142.2938  225.460  121.338    96.698   22.785  11.249  26.866  10.405  -4.080553      15.32310 
1 1 1 -20 17  44 o 17.536  8.2064  -30.1876   87.180   -248.0357  223.812  8.7782     94.656   20.875  10.450  19.794  9.0024  1.081577       13.79305 
1 1 1 -20 18  1  o 28.901  8.5266  109.318    63.890   -18.1734   156.477  134.825    69.990   27.039  11.990  31.868  8.7737  -4.828249      14.85730 
1 1 1 -20 18  2  o 51.869  6.9321  343.869    85.062   309.859    178.610  353.845    96.737   46.331  14.382  52.260  7.8732  -5.929691      16.39633 
1 1 1 -20 18  3  o 46.463  7.5574  279.683    82.272   392.862    178.433  249.125    92.716   52.122  13.866  43.211  9.1290  8.910610       16.60173 
1 1 1 -20 18  4  o 34.168  9.2600  156.477    78.687   457.621    174.073  79.139     88.215   56.843  12.915  26.986  10.056  29.85678       16.36808 
1 1 1 -20 18  5  o 51.488  5.3920  332.537    66.364   413.764    105.041  278.576    85.616   56.535  7.8708  46.199  7.9228  10.33654       11.16785 
1 1 1 -20 18  6  o 69.324  4.6636  596.123    77.989   612.231    120.032  584.355    102.596  69.210  7.2556  68.031  6.2864  1.178871       9.600124 
1 1 1 -20 18  7  o 96.565  6.0244  1170.45    140.451  0.0000     0.0000   1170.45    140.451  ?       ?       96.565  6.0244  0.000000       6.024402 
1 1 1 -20 18  8  o 52.905  7.3846  361.637    92.211   0.0000     0.0000   361.637    92.211   ?       ?       52.905  7.3846  0.000000       7.384608 
1 1 1 -20 18  9  o 64.514  6.5092  529.128    100.500  0.0000     0.0000   529.128    100.500  ?       ?       64.514  6.5092  0.000000       6.509166 
1 1 1 -20 18  10 o 75.754  4.8001  714.128    87.776   782.648    136.070  665.295    114.872  78.097  7.2639  72.295  6.6221  5.801361       9.829373 
1 1 1 -20 18  11 o 65.653  4.4376  535.432    70.276   457.655    95.907   625.616    103.273  59.764  6.7308  70.281  6.1171  -10.51606      9.095177 
1 1 1 -20 18  12 o 16.862  6.7793  19.121     42.462   66.002     56.818   -40.1826   63.904   23.421  8.1535  15.817  7.2700  7.603705       10.92393 
1 1 1 -20 18  13 o 56.237  4.7119  395.488    63.704   441.403    87.844   344.553    92.521   58.793  6.2537  51.220  7.6813  7.573090       9.905149 
1 1 1 -20 18  14 o 30.739  6.6667  124.583    48.293   113.487    66.132   137.262    70.688   29.043  8.7004  31.722  8.8490  -2.679388      12.40976 
1 1 1 -20 18  15 o 106.451 4.2993  1405.17    111.048  1317.30    157.069  1492.99    157.022  101.567 6.4062  108.487 5.9883  -6.919662      8.769233 
1 1 1 -20 18  16 o 105.573 4.3400  1384.13    111.174  1238.36    157.268  1529.73    157.178  98.165  6.6418  109.761 5.9236  -11.59689      8.899603 
1 1 1 -20 18  17 o 32.788  6.7804  142.652    52.162   48.205     73.106   240.601    74.449   22.726  8.9746  42.493  7.4945  -19.76716      11.69234 
1 1 1 -20 18  18 o 60.989  6.3359  480.310    92.392   479.120    110.350  483.098    168.967  60.041  7.7559  56.469  12.646  3.571735       14.83515 
1 1 1 -20 18  19 o 98.240  6.0998  1237.14    144.682  1112.94    171.949  1538.25    267.741  91.616  7.8096  104.019 10.764  -12.40320      13.29848 
1 1 1 -20 18  20 o 48.609  7.2649  314.125    83.057   331.025    90.616   225.316    207.722  49.615  7.7832  38.181  15.112  11.43392       16.99851 
1 1 1 -20 18  21 o 36.392  6.7484  176.258    57.395   212.604    78.299   134.050    84.377   39.153  8.4868  30.800  9.9274  8.353100       13.06063 
1 1 1 -20 18  22 o 33.835  7.9217  157.756    63.888   202.990    93.646   118.370    87.383   37.317  10.097  29.290  10.116  8.027464       14.29298 
1 1 1 -20 18  23 o 16.179  7.1963  -11.7864   56.789   -6.2619    83.716   -16.4954   77.291   19.843  8.7859  18.560  8.3151  1.283228       12.09676 
1 1 1 -20 18  24 o 16.622  7.3749  -10.0610   59.287   -20.7123   89.544   -1.7470    79.111   19.674  8.8706  19.559  8.6059  0.1149178      12.35916 
1 1 1 -20 18  25 o 84.713  5.3711  917.060    109.832  1120.75    146.423  655.019    166.078  92.553  6.5627  66.934  10.577  25.61944       12.44790 
1 1 1 -20 18  26 o 76.208  6.9526  770.545    127.147  739.723    242.462  782.235    149.325  64.267  15.686  75.470  8.2911  -11.20230      17.74253 
1 1 1 -20 18  27 o 14.915  7.0167  -55.1001   65.178   -228.3402  181.291  -29.3837   69.848   21.314  10.435  16.791  7.6740  4.523069       12.95290 
1 1 1 -20 18  28 f 25.719  9.5141  87.498     78.675   -53.5167   198.040  113.924    85.730   26.045  12.246  28.251  10.001  -2.206421      15.81085 
1 1 1 -20 18  29 f 39.608  7.2704  216.429    67.297   231.661    95.967   201.691    94.398   38.940  10.079  36.132  10.278  2.807640       14.39514 
1 1 1 -20 18  30 o 15.609  6.9317  -6.9658    52.487   108.186    76.012   -111.9092  72.564   27.261  9.4340  13.666  6.6717  13.59453       11.55473 
1 1 1 -20 18  31 o 18.601  7.5904  29.443     54.136   25.860     78.448   32.700     74.802   20.567  8.8095  20.720  8.7271  -0.1536598     12.40033 
1 1 1 -20 18  32 o 27.523  8.4926  112.480    62.384   98.507     95.421   122.911    82.444   26.358  10.300  28.263  9.8225  -1.905291      14.23299 
1 1 1 -20 18  33 o 23.786  8.3640  80.469     59.861   38.076     89.152   115.273    80.780   21.834  9.3728  27.355  9.7058  -5.521265      13.49271 
1 1 1 -20 18  34 o 24.079  8.7617  83.630     66.303   45.681     96.481   117.591    91.270   22.551  9.7164  27.312  10.219  -4.760847      14.10080 
1 1 1 -20 18  35 o 18.870  8.0070  26.333     63.720   71.887     89.274   -20.9747   90.977   23.668  9.7129  18.686  8.6198  4.981934       12.98618 
1 1 1 -20 18  36 o 22.375  9.4061  55.867     86.633   40.312     95.685   126.607    204.052  21.935  9.5624  28.494  13.057  -6.558842      16.18445 
1 1 1 -20 18  37 o 21.794  9.2694  48.269     85.749   86.422     96.222   -98.9363   189.005  24.690  10.102  22.406  10.900  2.283997       14.86178 
1 1 1 -20 18  38 o 18.443  8.5990  -31.0551   94.295   -131.4354  101.329  617.582    257.578  15.912  7.7924  45.079  17.101  -29.16757      18.79266 
1 1 1 -20 18  39 o 18.500  7.9163  22.835     63.234   18.212     85.887   28.307     93.442   20.071  8.8924  21.134  9.3235  -1.062347      12.88417 
1 1 1 -20 18  40 o 15.972  7.2891  -16.2028   62.725   13.703     92.369   -41.7952   85.448   20.302  9.0933  17.220  8.0794  3.082373       12.16412 
1 1 1 -20 18  41 o 21.575  9.3041  43.214     88.625   -91.5217   256.781  61.434     94.427   24.771  12.186  22.952  9.7435  1.819082       15.60255 
1 1 1 -20 18  42 o 18.751  8.5587  -4.6560    86.531   26.255     256.624  -8.6214    91.913   26.284  12.767  19.001  8.7280  7.282286       15.46527 
1 1 1 -20 18  43 o 21.620  9.5433  42.953     98.036   464.562    267.109  -22.6826   105.391  35.580  15.727  19.218  9.0029  16.36211       18.12138 
1 1 1 -20 19  1  o 17.076  7.2637  4.2261     52.671   14.571     142.356  2.5853     56.694   27.148  11.749  17.535  7.4994  9.612452       13.93887 
1 1 1 -20 19  2  o 27.651  8.7960  98.625     66.406   134.383    153.018  90.328     73.709   34.158  13.127  27.067  9.2944  7.091318       16.08433 
1 1 1 -20 19  3  o 104.691 4.3146  1351.38    109.601  1515.84    161.196  1209.98    149.467  109.869 6.0702  97.985  6.3204  11.88332       8.763272 
1 1 1 -20 19  4  o 55.291  5.0946  382.406    67.580   414.894    107.428  361.129    86.936   56.396  8.0817  53.054  6.9180  3.341846       10.63823 
1 1 1 -20 19  5  o 15.142  6.6855  -11.3471   48.136   -68.4372   85.596   15.059     58.213   17.582  8.1960  18.703  7.7751  -1.120811      11.29720 
1 1 1 -20 19  6  o 20.410  8.2538  28.275     63.341   0.0000     0.0000   28.275     63.341   ?       ?       20.410  8.2538  0.000000       8.253802 
1 1 1 -20 19  7  o 41.372  8.0004  226.565    77.407   0.0000     0.0000   226.565    77.407   ?       ?       41.372  8.0004  0.000000       8.000384 
1 1 1 -20 19  8  o 91.831  6.0622  1064.23    134.318  0.0000     0.0000   1064.23    134.318  ?       ?       91.831  6.0622  0.000000       6.062239 
1 1 1 -20 19  9  o 143.208 4.6798  2543.79    162.614  2630.32    234.475  2463.60    225.717  143.966 6.7123  139.363 6.6750  4.603149       9.466323 
1 1 1 -20 19  10 o 128.762 4.3903  2052.62    137.166  1959.34    189.952  2154.26    198.280  124.336 6.3170  130.567 6.2587  -6.231071      8.892442 
1 1 1 -20 19  11 o 81.660  4.2819  827.516    84.546   828.112    116.085  826.842    123.380  80.853  5.9592  80.554  6.3642  0.2989197      8.718714 
1 1 1 -20 19  12 o 81.923  4.2645  833.382    84.476   751.428    116.166  925.362    123.066  76.746  6.2936  85.411  5.9759  -8.665794      8.678750 
1 1 1 -20 19  13 o 82.264  4.3154  841.565    85.838   806.405    118.592  880.257    124.404  79.504  6.1965  83.069  6.2171  -3.564758      8.777766 
1 1 1 -20 19  14 o 21.141  7.2502  54.498     44.844   84.970     58.829   12.231     69.285   25.509  8.2953  19.633  8.3408  5.876459       11.76356 
1 1 1 -20 19  15 f 24.425  7.4112  78.813     47.761   68.852     66.446   89.460     68.698   24.093  8.7705  26.289  8.9739  -2.196808      12.54799 
1 1 1 -20 19  16 o 53.785  5.0156  365.850    64.701   396.473    90.416   333.713    92.626   55.041  6.9233  49.890  7.9159  5.150333       10.51639 
1 1 1 -20 19  17 o 51.976  6.8270  354.193    84.016   375.661    99.342   300.268    157.445  52.855  7.9960  43.455  13.506  9.399750       15.69513 
1 1 1 -20 19  18 o 43.348  7.2856  250.926    73.911   176.643    85.426   472.086    147.400  35.141  9.7005  56.846  11.085  -21.70509      14.72983 
1 1 1 -20 19  19 o 18.927  7.6430  27.399     54.227   31.578     60.680   10.826     120.842  19.994  8.0811  24.177  10.637  -4.183249      13.35860 
1 1 1 -20 19  20 o 48.531  5.4974  302.579    63.593   295.975    85.962   310.563    94.512   46.703  7.8652  47.445  8.5230  -0.7421265     11.59752 
1 1 1 -20 19  21 o 19.865  8.0516  31.038     60.421   134.962    94.912   -39.7756   78.346   30.810  10.548  17.500  8.0458  13.30940       13.26618 
1 1 1 -20 19  22 o 51.464  6.2399  345.974    76.327   387.464    112.483  310.566    103.911  52.502  9.1631  46.646  9.5036  5.856071       13.20151 
1 1 1 -20 19  23 o 34.034  8.2111  162.040    67.027   186.717    103.433  144.176    88.005   35.193  10.948  31.504  10.137  3.688137       14.92038 
1 1 1 -20 19  24 o 19.270  7.9465  25.498     60.119   59.841     90.345   -1.7950    80.540   24.417  9.8634  19.626  8.6573  4.791300       13.12384 
1 1 1 -20 19  25 o 42.068  9.2973  255.815    92.376   299.389    204.044  244.581    103.601  40.328  15.239  40.226  10.501  0.1017990      18.50714 
1 1 1 -20 19  26 o 15.535  7.3112  -58.3227   70.905   -207.8931  164.372  -24.1275   78.594   20.435  9.9902  18.089  8.2177  2.346844       12.93577 
1 1 1 -20 19  27 o 27.060  8.5251  104.113    62.495   42.740     82.275   187.819    96.085   22.342  9.2618  34.866  10.497  -12.52345      13.99877 
1 1 1 -20 19  28 o 30.196  8.1572  131.318    61.177   238.929    85.560   18.755     87.506   40.377  8.9667  21.114  9.1749  19.26320       12.82888 
1 1 1 -20 19  29 o 22.132  8.2159  62.004     58.771   99.965     88.159   31.639     78.847   26.641  10.028  21.058  8.9193  5.583326       13.42089 
1 1 1 -20 19  30 o 29.424  8.4800  128.346    63.856   203.489    91.043   55.588     89.587   35.892  10.053  23.242  9.6522  12.64978       13.93686 
1 1 1 -20 19  31 o 32.587  8.1411  156.624    64.186   226.797    89.598   82.648     91.994   38.062  9.6795  25.025  10.008  13.03687       13.92291 
1 1 1 -20 19  32 o 32.736  8.1736  159.684    64.726   262.848    91.333   55.595     91.742   41.180  9.3537  23.003  9.6753  18.17730       13.45748 
1 1 1 -20 19  33 o 23.818  8.7093  81.660     65.628   210.093    98.489   -20.9134   88.017   35.082  10.642  18.489  8.5105  16.59286       13.62654 
1 1 1 -20 19  34 o 13.232  6.3405  -61.6499   58.283   -127.4733  81.181   8.3686     83.728   13.968  6.8678  19.422  8.6812  -5.454030      11.06933 
1 1 1 -20 19  35 o 17.348  7.6122  8.9709     61.524   31.023     92.370   -8.6133    82.483   21.165  9.3063  18.379  8.3763  2.786057       12.52080 
1 1 1 -20 19  36 o 20.899  9.0723  34.956     85.387   -72.7749   95.576   460.940    190.053  17.013  8.1434  43.818  14.926  -26.80507      17.00319 
1 1 1 -20 19  37 o 22.600  9.4596  61.051     87.015   105.335    95.557   -153.9664  210.558  25.877  10.247  22.230  10.955  3.647623       15.00060 
1 1 1 -20 19  38 o 21.206  8.4482  55.994     65.312   174.163    89.930   -75.9011   95.009   31.819  10.248  16.872  8.0875  14.94721       13.05493 
1 1 1 -20 19  39 o 40.013  7.8586  237.907    73.575   257.561    102.997  217.426    105.139  38.516  10.659  34.658  11.072  3.858391       15.36940 
1 1 1 -20 19  40 o 16.993  8.0644  -56.0799   89.698   109.573    246.716  -81.3110   96.287   28.031  13.324  16.766  8.0637  11.26487       15.57389 
1 1 1 -20 19  41 o 19.558  8.9171  1.9550     93.601   -42.3140   257.650  8.6858     100.465  25.066  12.306  20.330  9.2571  4.736174       15.39916 
1 1 1 -20 19  42 o 18.291  8.5352  -22.5310   93.221   287.822    259.478  -68.5247   99.890   30.783  14.323  17.217  8.2634  13.56603       16.53580 
1 1 1 -20 20  1  o 61.728  4.8372  475.291    71.871   426.663    113.106  508.221    93.077   56.905  8.4481  63.330  6.1341  -6.424881      10.44016 
1 1 1 -20 20  2  o 131.643 4.4756  2143.02    142.959  2307.55    205.603  1989.04    198.912  135.384 6.2589  125.318 6.5644  10.06600       9.070056 
1 1 1 -20 20  3  o 119.748 4.3899  1772.38    127.552  2111.78    185.649  1468.92    175.545  129.753 5.8967  107.478 6.7660  22.27489       8.974946 
1 1 1 -20 20  4  o 116.681 4.4179  1683.68    125.079  1858.22    182.557  1529.24    171.717  121.312 6.2229  109.847 6.4712  11.46529       8.977798 
1 1 1 -20 20  5  o 82.922  4.4336  853.072    88.881   952.989    134.175  774.946    118.646  86.626  6.4294  78.138  6.3117  8.487991       9.009689 
1 1 1 -20 20  6  o 38.162  8.2041  195.137    73.708   0.0000     0.0000   195.137    73.708   ?       ?       38.162  8.2041  0.000000       8.204108 
1 1 1 -20 20  7  o 101.027 6.0716  1291.00    148.144  0.0000     0.0000   1291.00    148.144  ?       ?       101.027 6.0716  0.000000       6.071612 
1 1 1 -20 20  8  o 90.190  4.3920  1007.83    96.113   1014.71    143.274  1002.20    129.601  89.078  6.6773  88.937  6.0415  0.1414566      9.004807 
1 1 1 -20 20  9  o 173.656 4.8457  3756.48    204.181  3528.91    285.884  3993.43    291.715  165.849 7.1041  176.833 6.7988  -10.98315      9.833237 
1 1 1 -20 20  10 o 98.409  4.2060  1199.45    100.431  1050.61    138.783  1363.09    145.520  90.737  6.3435  103.812 5.8003  -13.07524      8.595514 
1 1 1 -20 20  11 o 11.451  5.4198  -44.0636   39.984   -18.3497   50.739   -86.1938   64.946   14.970  6.7199  13.834  6.6458  1.136469       9.451148 
1 1 1 -20 20  12 o 88.958  4.2393  982.091    91.505   955.290    126.259  1011.74    132.805  86.556  6.0498  88.987  6.1892  -2.431618      8.654862 
1 1 1 -20 20  13 o 106.111 4.2940  1399.47    110.557  1262.96    153.605  1546.20    159.251  99.180  6.4173  110.167 5.9799  -10.98714      8.771595 
1 1 1 -20 20  14 o 84.869  4.3609  898.969    89.500   802.991    123.143  1006.44    130.305  78.870  6.4925  88.656  6.0945  -9.785492      8.904777 
1 1 1 -20 20  15 o 76.109  5.3820  735.140    98.748   755.439    114.116  674.626    197.028  76.620  6.1911  66.824  12.614  9.795715       14.05133 
1 1 1 -20 20  16 o 36.492  7.9681  182.339    68.576   204.786    78.702   111.557    139.755  38.370  8.6591  30.666  12.310  7.703352       15.05023 
1 1 1 -20 20  17 f 48.548  7.1449  313.275    81.648   350.603    96.038   215.954    155.071  50.838  8.0540  37.242  13.423  13.59570       15.65358 
1 1 1 -20 20  18 o 54.611  6.6912  391.940    86.810   320.953    102.515  571.848    163.201  47.795  9.1733  62.249  11.218  -14.45393      14.49085 
1 1 1 -20 20  19 f 43.994  5.6195  250.187    58.616   175.220    82.128   328.022    83.685   34.894  9.4618  49.586  7.1632  -14.69148      11.86745 
1 1 1 -20 20  20 o 62.357  5.3493  497.298    80.152   562.235    111.348  427.467    115.469  65.049  7.1740  55.391  8.8922  9.658169       11.42526 
1 1 1 -20 20  21 o 53.489  5.8763  371.141    75.010   177.442    107.726  553.437    104.507  34.295  11.229  64.798  6.7458  -30.50301      13.09941 
1 1 1 -20 20  22 o 40.279  7.3895  220.674    69.559   321.539    101.652  131.856    95.389   47.579  9.1373  30.307  10.564  17.27174       13.96721 
1 1 1 -20 20  23 o 33.604  10.021  167.594    87.883   494.409    201.966  91.260     97.608   52.405  15.075  27.003  10.455  25.40276       18.34530 
1 1 1 -20 20  24 o 42.005  9.3472  256.550    92.814   279.661    210.448  250.969    103.414  38.936  15.274  40.711  10.424  -1.775871      18.49208 
1 1 1 -20 20  25 o 43.375  9.6605  278.048    99.065   278.962    215.678  277.804    111.525  38.385  15.333  42.371  10.812  -3.985199      18.76189 
1 1 1 -20 20  26 o 31.636  8.5944  145.516    67.687   91.025     99.071   193.217    92.694   26.608  10.466  35.428  10.219  -8.820946      14.62772 
1 1 1 -20 20  27 o 62.170  5.2439  501.060    78.366   518.419    112.040  484.434    109.650  61.059  7.7358  58.877  7.8725  2.182327       11.03718 
1 1 1 -20 20  28 o 23.038  8.1426  71.799     56.802   199.183    82.513   -42.9454   78.312   36.217  9.3316  16.886  7.8606  19.33150       12.20117 
1 1 1 -20 20  29 o 14.441  6.6122  -22.9217   52.179   7.9851     76.373   -49.9769   71.456   19.178  8.4466  15.682  7.3676  3.496502       11.20832 
1 1 1 -20 20  30 o 16.525  7.1936  5.7872     53.983   67.628     77.820   -51.5720   74.947   23.246  9.2341  15.958  7.5123  7.288037       11.90393 
1 1 1 -20 20  31 o 21.273  8.1314  57.480     58.517   73.789     87.382   44.220     78.793   23.938  9.6896  21.420  8.9859  2.517593       13.21497 
1 1 1 -20 20  32 o 35.492  8.1089  188.654    68.304   298.653    97.906   84.350     95.338   43.414  9.5535  24.737  10.081  18.67748       13.88874 
1 1 1 -20 20  33 o 41.627  7.3921  251.110    71.927   248.510    102.309  253.651    101.143  37.875  10.674  38.481  10.528  -0.6069107     14.99237 
1 1 1 -20 20  34 o 18.599  7.8749  27.342     61.421   -56.4863   89.276   102.680    84.635   16.964  8.0492  25.572  9.7781  -8.607592      12.66495 
1 1 1 -20 20  35 o 46.668  10.241  363.765    112.786  373.102    129.858  335.095    227.561  45.019  11.759  34.559  14.906  10.45985       18.98630 
1 1 1 -20 20  36 o 27.774  10.268  131.243    91.606   41.432     102.773  478.456    202.075  22.158  9.7766  43.068  15.343  -20.90924      18.19354 
1 1 1 -20 20  37 o 20.870  8.3783  53.090     64.748   79.442     90.435   25.376     92.744   23.904  9.7888  20.788  9.2238  3.115736       13.44990 
1 1 1 -20 20  38 o 20.060  8.2400  43.531     64.326   -31.7003   96.180   104.416    86.525   18.486  8.6408  25.679  9.8706  -7.193911      13.11837 
1 1 1 -20 20  39 o 24.936  10.270  92.974     100.251  -49.5290   256.702  118.620    108.899  25.137  12.329  26.670  10.810  -1.533911      16.39688 
1 1 1 -20 20  40 o 28.908  10.690  151.889    99.303   70.794     266.276  164.990    107.024  26.898  13.052  29.644  11.071  -2.746042      17.11441 
1 1 1 -20 20  41 f 14.628  7.0979  -86.1931   78.761   -200.7708  268.481  -75.4042   82.386   22.678  11.366  15.355  7.4031  7.322830       13.56458 
1 1 1 -20 21  1  f 88.348  4.9868  974.781    106.464  1004.79    143.187  937.680    159.209  88.697  6.7027  84.913  7.8150  3.783676       10.29563 
1 1 1 -20 21  2  o 15.178  6.5900  -3.4697    45.066   -78.1118   83.618   27.087     53.501   16.833  7.9277  19.068  7.6297  -2.234686      11.00271 
1 1 1 -20 21  3  o 36.908  7.1194  179.357    61.446   173.922    97.299   182.962    79.248   35.309  10.548  36.587  8.9909  -1.278095      13.85972 
1 1 1 -20 21  4  o 42.741  6.1130  234.783    61.591   333.707    103.010  179.740    76.838   49.766  8.8551  36.299  8.8125  13.46685       12.49294 
1 1 1 -20 21  5  o 113.138 7.7809  1665.21    212.301  0.0000     0.0000   1665.21    212.301  ?       ?       113.138 7.7809  0.000000       7.780906 
1 1 1 -20 21  6  o 92.702  6.0150  1090.16    134.567  0.0000     0.0000   1090.16    134.567  ?       ?       92.702  6.0150  0.000000       6.015015 
1 1 1 -20 21  7  o 114.523 6.2784  1669.94    173.798  0.0000     0.0000   1669.94    173.798  ?       ?       114.523 6.2784  0.000000       6.278376 
1 1 1 -20 21  8  o 117.351 4.4681  1711.56    127.225  1901.42    184.555  1539.64    175.624  122.169 6.2468  109.567 6.6373  12.60120       9.114614 
1 1 1 -20 21  9  o 58.546  4.6724  429.784    65.822   412.046    89.630   450.548    96.976   56.383  6.6815  58.854  6.9232  -2.470577      9.621476 
1 1 1 -20 21  10 o 52.115  5.0379  343.257    62.911   282.842    84.219   419.526    94.627   45.982  7.8290  56.652  7.0354  -10.66981      10.52566 
1 1 1 -20 21  11 o 41.898  5.5800  225.294    55.317   257.146    75.208   187.752    81.649   44.017  7.2974  36.626  9.1998  7.391113       11.74257 
1 1 1 -20 21  12 o 21.788  7.1906  60.349     44.143   75.509     57.725   38.998     68.505   24.262  8.2263  21.481  8.6199  2.781187       11.91533 
1 1 1 -20 21  13 o 32.209  7.1518  139.737    54.437   -6.5072    69.243   376.399    88.084   18.262  8.0428  53.501  6.9494  -35.23948      10.62925 
1 1 1 -20 21  14 o 36.408  8.2890  183.193    71.584   170.252    79.470   238.860    164.824  34.646  9.2710  38.791  13.853  -4.144810      16.66932 
1 1 1 -20 21  15 o 59.431  6.5550  461.462    92.953   418.950    109.820  568.855    174.547  55.350  8.4444  61.235  12.176  -5.885029      14.81787 
1 1 1 -20 21  16 o 41.116  7.5921  229.260    72.952   283.931    84.202   64.690     146.091  45.687  7.8804  28.251  12.059  17.43544       14.40580 
1 1 1 -20 21  17 o 55.636  6.5908  406.659    87.243   430.190    102.205  343.475    167.481  56.525  7.6483  45.277  13.906  11.24826       15.87056 
1 1 1 -20 21  18 o 22.290  7.6269  63.506     49.623   60.384     71.947   66.338     68.533   23.325  8.9913  23.644  8.8532  -0.3189068     12.61837 
1 1 1 -20 21  19 o 43.057  6.4904  245.293    65.702   284.634    91.970   204.290    93.894   45.043  8.7302  37.172  10.132  7.871376       13.37473 
1 1 1 -20 21  20 o 69.411  5.1333  614.573    85.840   697.363    117.542  519.958    125.656  72.715  6.7386  61.120  8.7203  11.59548       11.02055 
1 1 1 -20 21  21 o 27.603  9.2903  106.414    73.616   -39.6672   200.595  129.151    79.138   26.953  12.558  29.925  9.6111  -2.972042      15.81399 
1 1 1 -20 21  22 o 26.784  9.5574  97.846     78.434   -24.8452   190.724  122.819    86.047   26.698  12.373  29.221  10.042  -2.523043      15.93522 
1 1 1 -20 21  23 o 39.134  9.7477  227.897    92.212   337.659    220.695  204.682    101.497  41.280  15.789  36.364  10.752  4.916153       19.10204 
1 1 1 -20 21  24 f 47.178  9.1759  323.443    101.258  607.133    234.729  258.581    112.238  54.952  16.375  40.429  11.102  14.52348       19.78426 
1 1 1 -20 21  25 o 37.195  8.0755  197.222    70.792   197.626    101.456  196.839    98.826   35.274  10.822  35.328  10.648  -0.5331802E-01 15.18153 
1 1 1 -20 21  26 o 28.620  8.7784  120.866    66.766   254.099    100.028  13.815     89.662   40.384  10.204  20.885  9.1762  19.49928       13.72325 
1 1 1 -20 21  27 o 34.396  7.8717  170.640    64.276   134.585    95.227   200.812    87.113   29.360  10.525  35.920  9.7468  -6.559689      14.34496 
1 1 1 -20 21  28 o 28.010  8.2457  116.227    59.808   112.344    87.202   119.677    82.184   27.252  10.028  27.900  9.8008  -0.6473408     14.02198 
1 1 1 -20 21  29 o 11.797  5.6939  -64.3748   49.055   -3.4663    72.434   -115.9788  66.672   17.969  8.0500  12.604  6.2025  5.364410       10.16236 
1 1 1 -20 21  30 o 26.855  8.4581  109.541    61.521   12.012     92.355   187.341    82.487   20.427  9.1249  34.146  9.5710  -13.71954      13.22377 
1 1 1 -20 21  31 f 29.126  8.7636  132.957    66.987   217.331    95.543   51.378     93.947   35.725  10.395  22.506  9.6403  13.21906       14.17713 
1 1 1 -20 21  32 o 26.907  8.6026  113.226    63.457   117.957    87.738   108.037    91.890   26.849  10.024  26.058  10.129  0.7905502      14.25053 
1 1 1 -20 21  33 o 16.866  7.4062  7.9755     58.338   14.164     80.252   1.0406     84.952   19.256  8.5604  18.948  8.5828  0.3078327      12.12208 
1 1 1 -20 21  34 o 21.723  9.3367  48.180     88.664   105.532    97.511   -225.5453  213.027  25.703  10.295  21.054  10.486  4.648972       14.69464 
1 1 1 -20 21  35 o 15.296  7.4249  -96.0535   86.409   -107.8169  95.476   -42.7899   203.161  15.856  7.7211  23.696  11.474  -7.840606      13.83012 
1 1 1 -20 21  36 o 41.569  7.9101  258.894    76.868   287.734    111.972  233.188    105.714  39.860  11.144  35.670  11.063  4.189507       15.70290 
1 1 1 -20 21  37 o 22.889  8.5854  76.263     64.504   95.752     92.923   58.139     89.611   24.995  10.036  22.398  9.4990  2.597099       13.81856 
1 1 1 -20 21  38 o 26.809  10.604  122.503    102.203  183.996    256.250  110.870    111.451  29.278  13.816  26.086  10.794  3.191984       17.53216 
1 1 1 -20 21  39 o 22.813  9.5983  68.278     90.331   -235.8028  272.725  105.747    95.735   22.703  11.390  25.414  10.193  -2.711042      15.28466 
1 1 1 -20 21  40 o 26.478  10.631  126.911    104.255  308.090    265.736  93.950     113.342  30.688  14.350  24.552  10.555  6.135962       17.81393 
1 1 1 -20 22  1  o 55.811  5.1914  392.910    69.497   382.489    111.344  399.561    88.951   53.166  8.9489  55.584  6.7326  -2.417942      11.19873 
1 1 1 -20 22  2  o 15.361  6.8165  -12.6745   50.670   73.636     89.118   -53.9046   61.594   26.086  10.020  14.715  6.8899  11.37105       12.15992 
1 1 1 -20 22  3  o 17.155  7.0690  15.546     47.529   87.205     90.362   -11.8621   55.884   27.225  10.171  16.219  7.1800  11.00651       12.45031 
1 1 1 -20 22  4  o 58.012  6.6424  434.990    91.813   0.0000     0.0000   434.990    91.813   ?       ?       58.012  6.6424  0.000000       6.642377 
1 1 1 -20 22  5  o 36.462  8.3137  181.157    71.921   0.0000     0.0000   181.157    71.921   ?       ?       36.462  8.3137  0.000000       8.313745 
1 1 1 -20 22  6  o 56.521  6.4702  412.749    87.136   0.0000     0.0000   412.749    87.136   ?       ?       56.521  6.4702  0.000000       6.470229 
1 1 1 -20 22  7  o 74.997  4.6424  704.209    84.065   629.740    129.138  758.972    110.742  68.958  7.8584  77.107  5.9655  -8.148979      9.866214 
1 1 1 -20 22  8  o 86.697  4.2136  933.875    88.638   833.311    123.029  1042.42    127.815  80.494  6.3507  90.450  5.8552  -9.956612      8.637991 
1 1 1 -20 22  9  o 93.949  4.1691  1096.85    95.037   1006.76    132.491  1192.32    136.401  88.560  6.2049  96.704  5.8405  -8.144485      8.521274 
1 1 1 -20 22  10 o 45.100  5.3606  260.090    57.512   219.140    75.923   315.223    88.096   40.085  8.0849  48.467  7.7523  -8.381973      11.20108 
1 1 1 -20 22  11 o 31.131  6.8359  129.945    50.222   187.822    67.506   58.198     75.160   37.163  7.7378  23.553  9.1589  13.60980       11.98994 
1 1 1 -20 22  12 o 75.837  5.3681  731.731    98.140   677.380    110.399  936.504    214.288  72.283  6.3592  79.953  11.366  -7.670052      13.02385 
1 1 1 -20 22  13 o 18.234  7.7460  11.480     59.751   -1.5289    65.182   79.933     149.520  17.997  7.8676  29.205  12.322  -11.20823      14.61913 
1 1 1 -20 22  14 o 23.878  8.6039  71.030     63.711   47.212     68.732   216.409    169.808  22.005  8.6981  36.959  13.917  -14.95326      16.41138 
1 1 1 -20 22  15 o 25.692  8.7797  88.024     65.757   100.163    72.350   30.382     157.660  27.119  9.2096  27.246  12.061  -0.1270485     15.17492 
1 1 1 -20 22  16 o 34.090  6.5878  155.539    52.520   103.947    69.740   223.133    79.826   27.426  9.0375  39.911  8.5033  -12.48532      12.40895 
1 1 1 -20 22  17 o 8.1486  4.1164  -127.2724  39.200   -268.6195  63.679   -41.0271   49.742   ?       ?       13.283  6.2105  0.000000       6.210487 
1 1 1 -20 22  18 o 18.712  7.4960  29.552     51.707   -46.4514   72.475   108.342    73.792   16.350  7.5949  27.847  9.3017  -11.49638      12.00848 
1 1 1 -20 22  19 o 12.708  6.0670  -61.0435   52.324   -21.0376   78.271   -93.3673   70.356   18.285  8.2643  14.141  6.8234  4.144208       10.71714 
1 1 1 -20 22  20 o 60.044  6.9508  481.899    99.395   758.517    213.882  405.704    112.253  67.932  13.452  53.477  8.9686  14.45485       16.16745 
1 1 1 -20 22  21 o 31.525  10.135  148.540    87.985   24.873     208.040  175.478    97.096   28.781  13.187  33.847  10.620  -5.066240      16.93198 
1 1 1 -20 22  22 o 55.472  8.0843  428.585    105.614  294.348    233.867  462.974    118.371  38.611  15.768  56.994  8.8464  -18.38314      18.08036 
1 1 1 -20 22  23 o 93.090  6.9684  1166.40    156.258  1479.66    298.607  1048.27    183.368  93.421  13.570  85.564  8.9654  7.857773       16.26423 
1 1 1 -20 22  24 o 50.702  6.5005  345.914    78.130   436.957    116.483  271.456    105.340  54.695  9.0966  41.666  10.441  13.02924       13.84759 
1 1 1 -20 22  25 o 15.161  6.9754  -28.3957   59.033   -3.3166    92.616   -45.5571   76.614   20.169  9.0643  16.563  7.7321  3.605505       11.91420 
1 1 1 -20 22  26 f 28.577  8.6545  122.229    65.174   109.739    102.829  130.615    84.260   27.353  10.692  28.982  9.9382  -1.629139      14.59726 
1 1 1 -20 22  27 o 18.329  7.8719  16.994     62.940   33.302     101.807  6.9049     80.076   22.412  9.8143  19.337  8.5758  3.075092       13.03319 
1 1 1 -20 22  28 o 23.944  8.3889  82.932     60.191   47.447     91.211   110.306    80.112   22.385  9.5412  26.729  9.6455  -4.344824      13.56726 
1 1 1 -20 22  29 o 24.411  8.3078  88.454     58.875   48.859     85.368   124.371    81.305   21.965  9.2911  27.798  9.7492  -5.832918      13.46740 
1 1 1 -20 22  30 o 22.519  8.6210  70.242     65.838   161.329    90.132   -33.9605   96.403   30.662  10.280  18.500  8.6484  12.16267       13.43397 
1 1 1 -20 22  31 o 15.931  7.2858  -16.2219   63.095   -31.5502   86.204   1.4643     92.597   17.595  8.2096  19.576  8.9036  -1.981232      12.11076 
1 1 1 -20 22  32 o 39.002  10.477  265.310    101.261  310.112    114.947  110.060    213.977  41.335  11.188  27.352  12.818  13.98322       17.01360 
1 1 1 -20 22  33 o 57.222  9.3842  524.240    125.775  930.972    144.736  -730.1971  254.183  79.648  7.5807  ?       ?       0.000000       7.580674 
1 1 1 -20 22  34 o 22.477  9.4586  62.625     87.742   72.454     97.401   20.313     202.092  23.439  9.9198  24.844  11.878  -1.404978      15.47571 
1 1 1 -20 22  35 o 29.186  8.9106  138.230    68.886   46.525     96.252   234.521    98.629   21.941  9.5769  36.338  10.558  -14.39791      14.25453 
1 1 1 -20 22  36 o 18.453  7.9512  23.227     64.614   187.995    89.972   -152.2594  92.852   32.740  10.215  14.449  7.1489  18.29112       12.46813 
1 1 1 -20 22  37 o 20.659  9.2284  25.205     94.453   69.936     244.335  17.346     102.415  26.591  12.803  20.766  9.4133  5.825645       15.89100 
1 1 1 -20 22  38 o 26.272  10.550  120.085    102.700  31.608     276.883  134.199    110.589  26.002  12.764  27.138  10.930  -1.136324      16.80451 
1 1 1 -20 22  39 o 21.945  9.6593  53.323     99.745   183.850    275.594  33.647     106.999  27.812  13.441  21.320  9.6470  6.491457       16.54472 
1 1 1 -20 23  1  o 15.376  6.7343  -5.9276    47.952   -24.7798   90.015   1.5421     56.661   19.817  8.9184  17.232  7.4354  2.585148       11.61137 
1 1 1 -20 23  2  o 38.051  7.6739  194.742    68.406   174.779    102.447  210.803    91.893   34.905  10.902  38.608  9.7941  -3.702702      14.65524 
1 1 1 -20 23  3  o 66.324  5.2040  556.005    83.076   679.180    147.750  499.060    100.460  70.885  8.7780  61.950  6.7948  8.935123       11.10054 
1 1 1 -20 23  4  o 37.895  8.0318  195.251    71.557   0.0000     0.0000   195.251    71.557   ?       ?       37.895  8.0318  0.000000       8.031753 
1 1 1 -20 23  5  o 50.298  7.1810  333.940    85.152   0.0000     0.0000   333.940    85.152   ?       ?       50.298  7.1810  0.000000       7.180992 
1 1 1 -20 23  6  o 22.788  7.9331  64.426     53.787   -0.8767    92.818   97.442     65.998   21.246  9.3356  26.957  8.7873  -5.710318      12.82072 
1 1 1 -20 23  7  o 59.536  4.8701  447.509    69.737   372.605    103.441  509.919    94.420   52.313  8.4362  62.792  6.2814  -10.47915      10.51785 
1 1 1 -20 23  8  o 20.599  7.0358  52.532     42.229   18.603     55.449   99.384     65.159   18.322  7.6001  27.083  8.7234  -8.761028      11.56971 
1 1 1 -20 23  9  o 58.049  4.5850  424.355    64.054   439.063    88.536   408.202    92.786   58.083  6.3877  55.593  7.0361  2.490074       9.503120 
1 1 1 -20 23  10 o 66.360  4.5301  553.852    72.506   545.531    99.555   563.250    105.808  64.726  6.4239  65.550  6.7489  -0.8239822     9.317401 
1 1 1 -20 23  11 o 75.911  6.1856  746.397    112.942  651.060    132.342  1001.96    216.679  69.425  8.0029  82.722  11.073  -13.29772      13.66227 
1 1 1 -20 23  12 o 61.188  6.6874  492.370    97.669   461.282    112.863  585.079    194.903  58.091  8.2380  60.030  13.685  -1.939060      15.97332 
1 1 1 -20 23  13 o 13.448  6.2207  -32.6496   47.871   -19.5392   50.304   -158.4096  155.801  14.658  6.6251  21.151  10.193  -6.493286      12.15709 
1 1 1 -20 23  14 o 40.860  7.7868  229.226    74.383   288.061    82.565   -24.2541   171.376  45.993  7.6686  25.948  11.919  20.04433       14.17247 
1 1 1 -20 23  15 o 36.919  6.3278  180.995    54.645   117.400    73.496   259.615    81.717   28.791  9.2636  43.327  8.0699  -14.53572      12.28573 
1 1 1 -20 23  16 o 54.226  5.6986  381.054    73.857   399.448    99.607   358.590    110.076  54.095  7.8154  50.001  9.4185  4.093719       12.23884 
1 1 1 -20 23  17 o 30.470  7.9230  130.201    59.124   78.718     81.481   187.452    85.925   25.261  9.6097  35.649  9.6828  -10.38859      13.64193 
1 1 1 -20 23  18 o 27.790  8.2301  108.812    59.428   77.602     83.597   140.699    84.498   25.207  9.6989  30.907  9.9317  -5.699785      13.88190 
1 1 1 -20 23  19 o 50.647  8.1689  357.457    96.972   724.872    196.960  239.898    111.411  67.266  12.528  39.062  11.185  28.20423       16.79455 
1 1 1 -20 23  20 o 38.470  9.3330  218.294    86.229   179.951    177.342  230.165    98.680   33.606  13.729  38.783  10.309  -5.177078      17.16838 
1 1 1 -20 23  21 o 53.421  9.5022  419.091    118.656  0.0000     0.0000   419.091    118.656  ?       ?       53.421  9.5022  0.000000       9.502225 
1 1 1 -20 23  22 o 113.835 6.9135  1746.51    190.055  1922.46    336.901  1664.38    230.179  106.307 13.356  107.710 8.8867  -1.403000      16.04216 
1 1 1 -20 23  23 o 46.532  6.8714  296.373    75.248   269.202    110.422  319.930    102.817  40.804  10.932  46.123  9.5033  -5.319584      14.48549 
1 1 1 -20 23  24 o 26.818  8.6378  106.034    63.888   61.901     101.593  134.904    82.169   24.252  10.190  29.497  9.8142  -5.245184      14.14766 
1 1 1 -20 23  25 o 18.643  7.9424  20.594     63.150   -32.5016   97.876   58.458     82.655   19.123  8.8632  22.850  9.3578  -3.726261      12.88890 
1 1 1 -20 23  26 o 26.228  8.6510  103.391    63.897   37.629     97.063   153.685    84.884   22.232  9.6618  30.792  9.9606  -8.560286      13.87676 
1 1 1 -20 23  27 o 23.473  8.5460  78.828     63.092   67.799     96.483   87.067     83.391   23.776  9.9573  24.675  9.6330  -0.8992920     13.85429 
1 1 1 -20 23  28 o 31.036  8.8802  152.092    70.256   246.585    95.591   41.092     103.605  38.493  10.106  22.417  9.8563  16.07598       14.11653 
1 1 1 -20 23  29 f 23.007  8.4557  77.238     61.974   99.847     83.495   49.501     92.482   25.299  9.7029  22.103  9.5183  3.195326       13.59208 
1 1 1 -20 23  30 o 31.697  8.5359  158.715    67.114   240.403    91.393   63.101     98.876   37.798  9.8613  23.015  9.8749  14.78312       13.95564 
1 1 1 -20 23  31 o 20.456  8.8771  35.773     81.700   8.6483     88.634   189.070    210.711  19.458  8.7944  29.267  13.358  -9.809572      15.99279 
1 1 1 -20 23  32 o 19.885  8.6707  30.148     78.715   117.845    84.817   -514.4418  211.360  26.428  9.8582  ?       ?       0.000000       9.858162 
1 1 1 -20 23  33 o 33.566  10.389  201.888    93.267   225.960    102.004  79.141     230.335  34.958  10.872  26.469  12.662  8.489046       16.68913 
1 1 1 -20 23  34 o 33.762  8.5939  181.106    70.582   110.928    95.768   264.552    104.429  25.849  10.251  38.285  10.782  -12.43589      14.87798 
1 1 1 -20 23  35 o 13.709  6.5606  -58.6329   61.971   -52.3924   82.793   -66.5834   93.451   16.316  7.7445  16.825  8.0532  -0.5090389     11.17282 
1 1 1 -20 23  36 o 17.150  8.1848  -59.5629   95.044   -310.8213  234.054  -9.9497    104.005  20.552  10.341  19.636  9.1134  0.9155083      13.78389 
1 1 1 -20 23  37 o 18.329  8.6046  -27.9997   97.155   -219.3445  241.644  8.8959     106.110  21.648  10.840  20.372  9.3650  1.276489       14.32537 
1 1 1 -20 23  38 o 21.690  9.5380  52.557     97.054   3.2545     271.997  59.750     103.893  24.751  12.244  22.310  9.8374  2.440950       15.70672 
1 1 1 -20 24  1  o 50.909  5.5417  331.624    67.348   326.808    109.989  334.513    85.184   48.098  9.7582  50.282  7.1865  -2.184620      12.11893 
1 1 1 -20 24  2  o 53.415  5.4749  364.484    69.956   331.303    112.851  385.192    89.152   48.260  9.9673  54.129  6.9483  -5.869106      12.15016 
1 1 1 -20 24  3  o 20.001  7.8780  36.365     56.196   0.0000     0.0000   36.365     56.196   ?       ?       20.001  7.8780  0.000000       7.878020 
1 1 1 -20 24  4  o 20.995  8.2379  42.066     61.227   0.0000     0.0000   42.066     61.227   ?       ?       20.995  8.2379  0.000000       8.237859 
1 1 1 -20 24  5  o 46.347  7.3568  287.257    79.968   0.0000     0.0000   287.257    79.968   ?       ?       46.347  7.3568  0.000000       7.356767 
1 1 1 -20 24  6  o 34.425  7.5969  161.745    61.756   292.071    122.184  117.028    71.571   44.020  11.362  28.996  9.1212  15.02382       14.57039 
1 1 1 -20 24  7  o 38.649  5.9972  195.279    54.418   169.508    78.712   218.876    75.318   34.469  9.2280  39.904  8.0564  -5.435036      12.24999 
1 1 1 -20 24  8  f 77.437  4.3474  752.107    81.355   628.467    112.047  889.971    118.317  69.178  6.7617  83.138  5.9036  -13.95968      8.976260 
1 1 1 -20 24  9  o 69.567  6.1467  628.109    102.688  562.816    123.001  778.282    186.542  64.374  8.0507  72.857  10.886  -8.483177      13.53947 
1 1 1 -20 24  10 o 12.533  5.8729  -39.5180   44.901   -16.1660   49.070   -159.6765  111.310  14.680  6.5975  17.091  8.3257  -2.411198      10.62285 
1 1 1 -20 24  11 o 41.767  7.6860  238.677    75.022   266.437    83.476   122.075    171.083  43.897  8.1368  31.630  13.253  12.26734       15.55192 
1 1 1 -20 24  12 o 23.822  8.5735  72.000     63.245   99.449     69.248   -66.0324   155.288  26.865  9.0106  23.503  10.984  3.362354       14.20678 
1 1 1 -20 24  13 f 40.182  5.8297  211.399    55.180   191.455    73.168   237.703    84.027   36.853  8.3728  40.949  8.7240  -4.095596      12.09182 
1 1 1 -20 24  14 o 24.052  8.0725  77.304     55.580   61.939     81.976   90.376     75.613   23.948  9.4887  26.055  9.3747  -2.107172      13.33867 
1 1 1 -20 24  15 o 33.345  7.8289  155.461    62.260   170.288    93.071   143.453    83.761   33.619  10.373  31.218  9.8732  2.401102       14.32075 
1 1 1 -20 24  16 o 67.414  5.0480  581.318    81.973   574.315    115.275  588.482    116.590  65.122  7.4282  65.937  7.4160  -0.8157349     10.49645 
1 1 1 -20 24  17 o 48.059  6.1560  305.063    70.135   399.509    96.774   200.580    101.786  54.015  7.5935  35.944  10.800  18.07106       13.20215 
1 1 1 -20 24  18 o 26.395  9.4103  96.434     76.023   130.354    161.302  86.748     86.197   30.899  12.902  25.874  9.8740  5.025545       16.24665 
1 1 1 -20 24  19 o 15.204  7.1142  -47.4735   65.480   -16.1058   149.984  -54.8601   72.782   24.193  11.126  15.836  7.4386  8.357203       13.38384 
1 1 1 -20 24  20 o 27.519  9.5374  110.215    77.701   178.376    158.692  88.721     89.114   32.829  13.139  25.906  10.001  6.923162       16.51194 
1 1 1 -20 24  21 o 68.901  5.3560  618.058    88.840   673.939    116.581  540.661    137.201  70.421  6.9118  60.035  9.7534  10.38594       11.95415 
1 1 1 -20 24  22 f 19.227  7.9919  28.848     61.496   154.874    85.958   -103.2812  88.015   31.375  10.010  15.717  7.5960  15.65753       12.56604 
1 1 1 -20 24  23 o 33.434  8.5947  167.738    70.109   271.208    100.658  70.247     97.707   41.338  10.118  24.435  10.108  16.90289       14.30179 
1 1 1 -20 24  24 o 15.369  6.9556  -14.2380   55.651   -99.5549   85.803   47.711     73.115   15.441  7.4717  21.383  8.7843  -5.942525      11.53210 
1 1 1 -20 24  25 o 27.440  8.8526  116.126    67.084   248.876    101.542  13.310     89.363   38.510  10.554  20.278  9.0230  18.23233       13.88505 
1 1 1 -20 24  26 o 23.596  8.5400  81.080     62.868   1.2496     96.780   139.359    82.691   20.106  9.1285  29.099  9.8460  -8.992350      13.42654 
1 1 1 -20 24  27 o 21.612  8.6525  58.962     68.850   57.037     97.249   60.897     97.490   22.826  9.7937  23.061  9.8478  -0.2349987     13.88871 
1 1 1 -20 24  28 f 21.968  8.8075  63.695     71.450   69.393     104.427  58.680     97.973   23.602  10.138  22.755  9.7978  0.8471394      14.09892 
1 1 1 -20 24  29 o 16.727  7.4297  4.1847     60.330   -85.4434   84.652   96.700     86.005   15.374  7.4350  24.765  9.7486  -9.390532      12.26023 
1 1 1 -20 24  30 o 22.367  9.4289  63.498     87.442   4.8306     98.123   289.836    192.730  19.847  9.0800  32.929  13.946  -13.08242      16.64150 
1 1 1 -20 24  31 o 60.364  8.3245  560.202    118.684  492.169    133.368  819.127    260.185  53.030  10.733  51.231  17.464  1.799133       20.49904 
1 1 1 -20 24  32 o 18.393  8.2877  5.9921     78.021   43.743     83.963   -232.7618  211.153  20.935  9.0421  20.506  10.248  0.4289169      13.66688 
1 1 1 -20 24  33 o 25.322  8.7348  102.861    65.137   115.435    87.550   87.273     97.483   26.099  9.9534  24.156  10.053  1.943611       14.14697 
1 1 1 -20 24  34 o 31.634  8.9215  164.039    71.442   199.978    98.957   124.916    103.247  32.765  10.764  26.651  10.621  6.113655       15.12149 
1 1 1 -20 24  35 o 25.990  10.645  116.973    106.971  164.962    250.234  106.243    118.327  28.012  13.344  25.435  10.855  2.577881       17.20183 
1 1 1 -20 24  36 o 31.842  11.577  210.380    115.727  532.324    264.422  134.102    128.709  36.807  15.972  26.638  11.344  10.16912       19.59007 
1 1 1 -20 24  37 o 19.222  8.8193  7.4163     93.482   51.724     246.878  -0.0001    101.004  24.896  12.186  19.377  8.9889  5.518147       15.14262 
1 1 1 -20 25  1  f 62.103  5.1021  490.015    76.202   475.489    120.963  499.573    98.119   58.734  8.7553  61.762  6.6524  -3.027607      10.99591 
1 1 1 -20 25  2  o 55.488  6.9312  406.864    91.283   0.0000     0.0000   406.864    91.283   ?       ?       55.488  6.9312  0.000000       6.931153 
1 1 1 -20 25  3  o 25.262  8.7844  83.420     65.943   0.0000     0.0000   83.420     65.943   ?       ?       25.262  8.7844  0.000000       8.784422 
1 1 1 -20 25  4  o 22.356  8.5086  55.531     63.898   0.0000     0.0000   55.531     63.898   ?       ?       22.356  8.5086  0.000000       8.508648 
1 1 1 -20 25  5  o 24.906  8.1781  83.094     57.126   211.251    116.520  42.543     65.543   37.057  11.635  21.299  8.4701  15.75784       14.39167 
1 1 1 -20 25  6  o 39.683  5.4365  203.769    50.971   184.635    71.093   224.008    73.117   36.363  8.2472  40.451  7.7313  -4.088154      11.30442 
1 1 1 -20 25  7  o 71.656  6.1810  668.162    106.415  658.344    127.524  690.674    193.111  69.911  7.6421  66.689  12.390  3.222130       14.55740 
1 1 1 -20 25  8  o 50.501  6.7732  338.877    80.905   312.810    94.010   413.317    158.864  47.368  8.4915  50.490  12.915  -3.122181      15.45687 
1 1 1 -20 25  9  o 54.607  6.7252  395.574    87.225   366.196    102.592  472.205    165.690  51.228  8.5552  54.141  12.812  -2.912819      15.40595 
1 1 1 -20 25  10 o 23.699  8.4732  71.933     61.678   71.636     70.290   72.925     128.597  24.095  8.9770  27.310  11.469  -3.215021      14.56485 
1 1 1 -20 25  11 o 28.700  8.5628  116.795    64.153   133.779    70.012   27.874     160.197  30.510  8.9044  26.887  12.014  3.622971       14.95392 
1 1 1 -20 25  12 o 37.463  6.1126  185.970    53.647   202.494    71.411   164.561    81.282   38.075  7.9846  33.426  9.5473  4.648926       12.44609 
1 1 1 -20 25  13 o 74.165  4.8897  700.763    87.499   759.914    124.554  643.130    122.945  75.541  6.8704  68.907  7.4731  6.634010       10.15132 
1 1 1 -20 25  14 o 25.225  8.1344  87.889     56.646   53.542     82.509   118.511    77.907   23.216  9.4092  28.665  9.5571  -5.449232      13.41163 
1 1 1 -20 25  15 o 22.688  8.3091  64.572     59.768   137.411    88.506   3.5081     81.037   30.376  10.187  19.782  8.7069  10.59402       13.40072 
1 1 1 -20 25  16 o 25.460  8.4015  90.403     60.262   99.169     85.876   81.898     84.586   26.854  9.9388  25.380  9.7585  1.473845       13.92864 
1 1 1 -20 25  17 o 19.495  8.3474  17.677     70.388   162.725    154.549  -20.2838   79.064   32.178  12.935  18.191  8.2558  13.98683       15.34503 
1 1 1 -20 25  18 o 45.260  8.5363  294.809    90.308   242.353    172.847  314.505    105.914  36.212  13.943  45.607  9.8585  -9.394527      17.07592 
1 1 1 -20 25  19 o 35.424  9.5867  192.097    84.408   361.231    166.917  133.986    97.840   43.624  13.953  29.512  10.658  14.11133       17.55754 
1 1 1 -20 25  20 o 25.531  8.3916  94.034     60.143   134.093    83.115   50.004     87.137   29.463  9.8716  22.738  9.4874  6.725136       13.69160 
1 1 1 -20 25  21 o 21.043  8.1691  52.408     59.715   65.778     84.789   39.250     84.115   23.545  9.5398  21.696  9.2024  1.848925       13.25486 
1 1 1 -20 25  22 o 25.262  8.3267  93.799     59.200   -3.2504    81.511   202.141    86.122   18.893  8.4960  35.679  9.6952  -16.78645      12.89100 
1 1 1 -20 25  23 o 17.419  7.4968  14.022     57.304   12.261     87.452   15.346     75.860   20.100  8.9357  19.310  8.4635  0.7893085      12.30758 
1 1 1 -20 25  24 o 34.472  8.4202  181.248    69.824   89.841     103.985  256.302    94.226   25.293  10.443  39.748  9.8258  -14.45455      14.33873 
1 1 1 -20 25  25 o 13.761  6.4866  -42.3749   56.216   52.431     89.108   -105.0571  72.455   22.201  9.4460  13.535  6.6204  8.665472       11.53496 
1 1 1 -20 25  26 o 22.006  8.5597  66.376     65.662   45.581     104.870  79.785     84.211   22.412  9.8828  23.665  9.5356  -1.253235      13.73310 
1 1 1 -20 25  27 o 21.498  8.4304  62.841     64.089   13.108     94.474   105.239    87.229   20.071  9.0748  25.438  9.8738  -5.366480      13.41062 
1 1 1 -20 25  28 o 29.486  9.2541  146.268    73.718   222.212    104.427  70.826     104.081  34.220  11.046  23.342  10.075  10.87786       14.94997 
1 1 1 -20 25  29 o 44.872  10.209  347.886    108.650  414.834    124.831  138.697    220.659  48.021  10.956  27.315  12.868  20.70630       16.90017 
1 1 1 -20 25  30 o 42.026  10.320  310.437    104.465  287.901    118.580  388.552    220.768  38.038  11.704  34.971  14.873  3.067455       18.92629 
1 1 1 -20 25  31 o 31.691  9.0084  166.981    72.543   193.098    98.746   136.360    106.924  31.932  10.760  27.172  10.814  4.759739       15.25524 
1 1 1 -20 25  32 o 27.689  8.7887  126.069    66.324   182.114    89.425   57.552     98.877   31.743  10.219  22.337  9.7295  9.405914       14.10991 
1 1 1 -20 25  33 o 26.916  8.8516  119.444    66.913   72.685     90.063   177.055    99.969   22.908  9.6084  30.516  10.801  -7.608227      14.45589 
1 1 1 -20 25  34 o 20.255  9.1520  21.249     95.911   258.869    256.070  -17.5258   103.441  29.680  13.945  19.115  8.9432  10.56538       16.56641 
1 1 1 -20 25  35 o 41.479  11.771  345.023    123.975  197.549    272.135  383.646    139.266  27.798  13.415  42.209  12.621  -14.41185      18.41898 
1 1 1 -20 25  36 o 16.762  8.0512  -59.3750   95.253   6.4005     238.372  -71.8739   103.910  23.794  11.712  17.059  8.2467  6.734648       14.32433 
1 1 1 -20 26  1  o 57.749  5.6591  430.309    78.277   359.217    143.244  460.576    93.467   47.673  12.301  59.126  6.6291  -11.45326      13.97372 
1 1 1 -20 26  2  o 31.093  8.9116  137.908    70.698   0.0000     0.0000   137.908    70.698   ?       ?       31.093  8.9116  0.000000       8.911635 
1 1 1 -20 26  3  f 39.198  8.4482  215.791    77.983   0.0000     0.0000   215.791    77.983   ?       ?       39.198  8.4482  0.000000       8.448243 
1 1 1 -20 26  4  o 69.749  5.2479  622.274    88.165   780.991    154.883  546.193    107.233  75.046  8.6650  64.053  7.0143  10.99314       11.14822 
1 1 1 -20 26  5  o 23.763  8.4074  72.857     60.572   44.803     68.562   172.607    129.284  21.633  8.6438  33.556  12.231  -11.92264      14.97705 
1 1 1 -20 26  6  o 40.871  7.7801  230.472    74.337   177.193    85.943   388.748    148.129  34.620  9.7927  49.211  12.408  -14.59101      15.80705 
1 1 1 -20 26  7  o 57.934  6.4559  442.980    89.208   438.405    104.376  455.378    171.832  56.624  7.8043  52.079  13.490  4.544510       15.58478 
1 1 1 -20 26  8  f 35.936  8.2899  182.631    70.811   158.547    81.461   257.094    143.238  32.792  9.6148  39.189  12.954  -6.397148      16.13210 
1 1 1 -20 26  9  o 49.543  7.2079  332.172    84.107   325.249    97.103   352.967    168.293  47.966  8.6620  44.747  13.972  3.218914       16.43950 
1 1 1 -20 26  10 o 26.085  7.0368  93.680     45.563   60.553     60.994   135.505    68.535   22.408  8.3597  30.650  8.7712  -8.241096      12.11681 
1 1 1 -20 26  11 o 24.597  8.0734  82.787     55.674   87.443     82.566   78.906     75.392   25.885  9.7125  24.849  9.2894  1.035553       13.43972 
1 1 1 -20 26  12 o 23.098  8.1642  69.610     57.104   60.004     84.172   77.801     77.726   23.746  9.5457  24.813  9.3985  -1.066776      13.39602 
1 1 1 -20 26  13 o 33.898  7.8390  162.152    63.190   139.347    89.302   185.021    89.426   30.476  10.232  34.875  10.031  -4.398415      14.32880 
1 1 1 -20 26  14 o 99.649  4.6074  1259.44    111.401  1471.75    220.448  1186.63    129.098  101.400 9.0552  95.622  5.5885  5.777382       10.64086 
1 1 1 -20 26  15 o 15.830  7.2615  -28.6504   63.335   -65.3221   134.794  -18.2605   71.748   21.456  10.093  17.442  7.8953  4.014191       12.81407 
1 1 1 -20 26  16 o 48.116  8.1779  328.800    92.060   396.466    174.113  302.543    108.461  45.825  14.196  44.230  10.299  1.594841       17.53820 
1 1 1 -20 26  17 o 40.000  9.2508  240.111    87.994   209.648    178.245  249.927    101.184  33.990  13.810  39.817  10.370  -5.826672      17.27060 
1 1 1 -20 26  18 o 32.654  9.6336  165.568    81.558   170.648    162.691  163.863    94.257   31.733  13.078  31.942  10.506  -0.2088528     16.77483 
1 1 1 -20 26  19 o 17.987  7.6068  19.514     57.205   152.951    78.806   -129.1176  83.171   31.300  9.5249  14.351  7.0348  16.94860       11.84118 
1 1 1 -20 26  20 o 21.347  8.0446  58.275     56.762   167.636    78.919   -58.9327   81.702   32.640  9.4331  16.409  7.7606  16.23137       12.21521 
1 1 1 -20 26  21 o 52.076  5.9935  366.863    74.351   349.240    102.156  386.714    108.421  47.755  9.1492  50.203  9.2411  -2.447437      13.00407 
1 1 1 -20 26  22 o 35.133  7.8662  183.022    65.388   156.814    92.365   209.351    92.579   30.415  10.405  35.345  10.218  -4.930367      14.58327 
1 1 1 -20 26  23 o 15.076  6.8696  -15.8365   55.447   64.915     80.681   -88.1118   76.329   22.659  9.2585  14.539  7.0384  8.119378       11.63012 
1 1 1 -20 26  24 o 37.736  8.1494  216.652    72.435   240.781    106.167  195.638    99.077   36.368  11.053  32.936  10.768  3.431904       15.43105 
1 1 1 -20 26  25 o 23.964  8.8627  88.450     68.263   131.265    105.268  57.381     89.673   27.278  10.770  22.198  9.4611  5.079796       14.33556 
1 1 1 -20 26  26 o 25.975  8.8615  109.893    66.988   208.604    99.329   27.542     90.725   33.451  10.770  20.414  9.0871  13.03618       14.09146 
1 1 1 -20 26  27 o 21.064  8.4515  59.358     65.847   69.415     97.766   51.008     89.083   22.904  9.8232  21.508  9.3015  1.396481       13.52827 
1 1 1 -20 26  28 o 18.969  8.7778  -6.8599    95.442   2.9370     100.691  -93.5455   299.516  19.720  9.0866  24.350  12.174  -4.629427      15.19157 
1 1 1 -20 26  29 o 19.781  9.0603  8.8192     98.078   -55.6575   108.174  306.686    232.505  18.122  8.6714  31.243  14.171  -13.12065      16.61336 
1 1 1 -20 26  30 o 24.160  8.6117  93.598     63.665   239.510    93.016   -35.0003   87.324   36.680  10.121  17.195  8.0991  19.48456       12.96269 
1 1 1 -20 26  31 o 23.297  8.4579  84.729     61.734   -19.9632   85.708   197.606    88.996   17.688  8.2306  33.100  10.132  -15.41191      13.05379 
1 1 1 -20 26  32 o 20.283  8.1432  53.289     61.170   63.942     84.221   41.396     88.991   22.027  9.2679  20.876  9.1578  1.151457       13.02916 
1 1 1 -20 26  33 o 16.345  7.7919  -52.4365   85.639   -124.6489  248.311  -42.6874   91.237   22.694  11.306  17.182  8.1483  5.511965       13.93601 
1 1 1 -20 26  34 o 24.943  10.323  110.188    101.959  147.705    268.206  103.851    110.235  26.568  12.938  24.593  10.486  1.975355       16.65398 
1 1 1 -20 26  35 o 18.596  8.7200  -11.4880   99.296   -121.3162  243.223  10.478     108.773  21.892  10.949  19.951  9.2799  1.940409       14.35285 
1 1 1 -20 27  1  o 23.430  8.7350  67.023     66.572   0.0000     0.0000   67.023     66.572   ?       ?       23.430  8.7350  0.000000       8.734984 
1 1 1 -20 27  2  o 60.091  6.8720  481.527    98.397   0.0000     0.0000   481.527    98.397   ?       ?       60.091  6.8720  0.000000       6.872022 
1 1 1 -20 27  3  o 41.751  13.441  299.351    154.715  0.0000     0.0000   299.351    154.715  ?       ?       41.751  13.441  0.000000       13.44133 
1 1 1 -20 27  4  o 23.337  9.4239  54.540     82.445   -10.9959   110.898  135.513    123.269  21.885  9.8692  30.692  11.785  -8.807518      15.37184 
1 1 1 -20 27  5  o 44.530  7.4591  271.446    77.743   230.123    89.899   394.013    154.825  39.567  9.4867  48.670  12.902  -9.103153      16.01406 
1 1 1 -20 27  6  f 49.942  6.8757  335.094    81.111   303.115    93.631   431.257    162.367  46.197  8.6715  50.726  13.100  -4.528790      15.71025 
1 1 1 -20 27  7  o 16.868  7.1732  10.290     51.340   20.036     56.348   -37.3468   124.574  18.277  7.6281  21.862  10.085  -3.584801      12.64532 
1 1 1 -20 27  8  o 58.472  4.6802  435.547    65.845   410.794    90.852   462.935    95.564   55.263  6.9276  58.779  6.8278  -3.515186      9.726752 
1 1 1 -20 27  9  o 38.687  6.9214  203.721    62.586   163.043    93.194   237.138    84.468   32.649  10.424  40.508  8.8421  -7.858299      13.66891 
1 1 1 -20 27  10 o 30.013  7.6512  126.994    55.888   154.865    86.244   106.817    73.380   31.987  10.005  27.337  9.2750  4.649773       13.64249 
1 1 1 -20 27  11 o 24.956  8.1564  86.683     56.847   80.967     81.533   92.091     79.302   25.124  9.5995  25.998  9.5635  -0.8737240     13.55029 
1 1 1 -20 27  12 o 46.093  6.4039  284.730    69.687   347.754    99.923   225.047    97.238   49.206  8.6868  38.120  10.278  11.08602       13.45751 
1 1 1 -20 27  13 o 52.423  5.5761  359.948    69.839   344.839    98.986   374.925    98.549   48.927  8.6546  51.490  8.1600  -2.563160      11.89486 
1 1 1 -20 27  14 o 20.937  8.7500  35.109     74.288   -70.8540   151.146  68.860     85.303   22.286  10.545  24.124  9.6407  -1.838751      14.28755 
1 1 1 -20 27  15 o 28.568  9.8096  123.606    82.107   156.269    164.106  112.700    94.830   31.242  13.027  27.686  10.405  3.555908       16.67190 
1 1 1 -20 27  16 o 27.267  9.6419  111.111    79.653   489.704    168.339  1.8935     90.416   52.059  13.283  20.158  9.0148  31.90169       16.05335 
1 1 1 -20 27  17 o 16.130  7.1902  -6.0103    57.018   -79.7444   84.903   54.564     76.954   16.066  7.6861  22.271  9.0645  -6.205620      11.88451 
1 1 1 -20 27  18 f 41.497  6.9979  241.353    67.955   237.213    92.343   246.243    100.362  38.623  9.8290  38.729  10.442  -0.1063004     14.34026 
1 1 1 -20 27  19 o 58.467  5.7830  458.619    80.964   467.559    109.159  447.686    120.712  56.481  8.2052  53.590  9.6376  2.890732       12.65736 
1 1 1 -20 27  20 o 31.845  8.0749  152.773    62.483   63.041     86.082   252.693    90.838   22.929  9.4867  39.798  9.5324  -16.86960      13.44857 
1 1 1 -20 27  21 o 37.806  7.7754  211.801    68.945   232.947    95.709   188.992    99.400   37.043  10.284  32.635  10.791  4.407074       14.90659 
1 1 1 -20 27  22 o 14.927  6.7853  -13.4277   53.681   -28.0135   74.942   1.9421     76.930   16.638  7.7269  18.313  8.2429  -1.675169      11.29822 
1 1 1 -20 27  23 o 30.126  8.5449  144.586    65.344   41.665     89.514   261.997    95.608   21.269  9.2611  39.244  10.009  -17.97421      13.63633 
1 1 1 -20 27  24 f 12.138  5.9141  -78.4125   56.247   -109.3963  93.978   -61.1182   70.212   15.523  7.5812  14.575  6.9774  0.9473724      10.30333 
1 1 1 -20 27  25 o 31.112  8.6817  158.328    68.028   190.294    100.698  131.490    92.267   31.448  10.860  27.035  10.240  4.413607       14.92627 
1 1 1 -20 27  26 o 32.588  8.8708  176.331    72.025   277.954    104.752  85.206     99.193   38.641  10.770  23.690  10.018  14.95108       14.70843 
1 1 1 -20 27  27 f 23.260  10.169  74.887     108.888  86.642     116.642  -4.8175    303.728  24.013  10.510  25.122  12.513  -1.109373      16.34165 
1 1 1 -20 27  28 o 45.977  11.607  409.588    129.506  357.816    142.607  653.147    309.311  39.720  12.915  36.649  16.509  3.071518       20.96070 
1 1 1 -20 27  29 o 15.708  7.1794  -10.6532   61.145   36.841     92.297   -47.7994   81.626   20.675  9.1863  16.125  7.6643  4.550861       11.96368 
1 1 1 -20 27  30 o 33.398  8.2991  178.462    66.958   193.279    93.924   163.151    95.481   32.015  10.485  29.258  10.534  2.757065       14.86263 
1 1 1 -20 27  31 o 20.424  8.0554  56.995     58.829   -3.1192    83.600   115.962    82.799   18.157  8.3342  25.751  9.7133  -7.593960      12.79872 
1 1 1 -20 27  32 o 24.538  10.024  103.122    94.550   -415.0191  238.983  199.277    102.950  19.139  9.7176  31.478  10.974  -12.33915      14.65834 
1 1 1 -20 27  33 o 18.843  8.4875  18.179     81.738   -224.2546  258.720  45.060     86.150   21.311  10.742  20.539  9.0101  0.7720890      14.02061 
1 1 1 -20 27  34 o 24.300  10.048  108.983    96.491   -149.7242  248.003  155.132    104.745  21.420  10.761  27.169  10.738  -5.749752      15.20218 
1 1 1 -20 28  1  o 29.646  11.994  117.332    133.801  0.0000     0.0000   117.332    133.801  ?       ?       29.646  11.994  0.000000       11.99370 
1 1 1 -20 28  2  o 26.428  11.271  63.481     127.414  0.0000     0.0000   63.481     127.414  ?       ?       26.428  11.271  0.000000       11.27099 
1 1 1 -20 28  3  o 18.042  8.1909  -22.3680   77.914   -82.3837   106.283  47.357     114.557  18.602  8.8135  24.842  10.643  -6.240471      13.81879 
1 1 1 -20 28  4  o 15.596  6.8559  -3.6265    50.105   -4.0184    54.990   -1.7100    121.610  16.256  7.1629  22.967  10.348  -6.711203      12.58539 
1 1 1 -20 28  5  o 24.834  8.5503  84.310     62.400   67.998     70.482   143.452    134.208  23.545  8.9423  31.050  12.192  -7.504143      15.11990 
1 1 1 -20 28  6  o 48.813  5.0047  306.949    58.438   301.549    80.949   312.826    84.448   46.878  7.3591  47.612  7.5628  -0.7336273     10.55237 
1 1 1 -20 28  7  o 17.701  7.1409  25.914     47.285   -163.3767  79.999   127.559    58.622   13.263  6.5753  29.916  7.9429  -16.65292      10.31131 
1 1 1 -20 28  8  o 31.262  7.3937  137.039    55.204   49.272     83.690   204.641    73.449   22.790  9.3844  37.832  8.2351  -15.04198      12.48532 
1 1 1 -20 28  9  o 19.632  7.6538  40.562     52.590   76.373     82.780   16.327     68.098   24.718  9.6120  19.138  8.2030  5.579494       12.63641 
1 1 1 -20 28  10 o 45.159  6.4001  274.129    68.165   303.129    101.744  250.511    91.820   44.954  9.6184  40.887  9.4453  4.067154       13.48067 
1 1 1 -20 28  11 o 38.152  6.7831  199.521    60.491   206.601    91.760   194.079    80.448   36.451  10.050  35.963  9.1862  0.4883347      13.61590 
1 1 1 -20 28  12 o 18.353  8.0689  4.0454     69.422   -71.5379   145.387  26.369     79.012   21.794  10.321  20.685  8.8500  1.108967       13.59552 
1 1 1 -20 28  13 o 31.380  9.4273  151.266    77.562   172.567    153.196  143.924    89.942   31.861  12.853  30.263  10.268  1.598372       16.45132 
1 1 1 -20 28  14 o 29.750  9.5408  136.961    78.008   37.491     164.449  165.842    88.612   26.010  11.844  32.210  10.152  -6.200014      15.59909 
1 1 1 -20 28  15 o 19.478  8.3002  24.709     68.991   14.638     145.754  27.616     78.321   24.157  11.057  20.461  8.7843  3.695297       14.12180 
1 1 1 -20 28  16 o 35.700  7.7549  185.586    65.253   273.452    97.381   113.984    87.908   41.551  9.8152  27.159  10.055  14.39256       14.05125 
1 1 1 -20 28  17 f 21.778  8.0188  64.109     55.773   15.662     84.219   101.952    74.434   20.003  8.8366  25.891  9.3028  -5.888302      12.83078 
1 1 1 -20 28  18 o 21.628  8.2550  61.861     60.253   93.475     87.332   33.143     83.237   25.140  9.8459  20.818  8.9973  4.321657       13.33765 
1 1 1 -20 28  19 o 20.779  8.0483  55.321     57.861   100.983    79.823   4.7653     83.992   25.480  9.5520  19.165  8.6209  6.314892       12.86699 
1 1 1 -20 28  20 o 20.128  8.0735  48.077     60.068   56.300     86.352   40.367     83.613   22.147  9.3548  21.001  9.0471  1.145367       13.01390 
1 1 1 -20 28  21 o 19.720  7.7779  48.126     54.846   80.946     76.435   13.294     78.743   23.406  9.1977  18.955  8.4495  4.450678       12.48969 
1 1 1 -20 28  22 o 16.920  7.3310  15.282     55.540   4.2352     77.029   27.244     80.155   18.209  8.2170  19.715  8.6689  -1.506760      11.94441 
1 1 1 -20 28  23 o 34.623  8.4345  191.621    70.205   223.467    98.817   159.163    99.760   34.510  10.695  28.908  10.710  5.602411       15.13547 
1 1 1 -20 28  24 o 17.360  7.6158  15.664     61.550   45.047     93.127   -7.1278    82.018   21.160  9.3229  17.856  8.2179  3.303928       12.42781 
1 1 1 -20 28  25 o 22.371  9.9486  59.413     108.482  53.100     116.228  102.096    302.209  22.344  10.087  26.195  12.949  -3.851057      16.41431 
1 1 1 -20 28  26 o 23.395  10.231  80.506     110.320  85.554     118.159  46.204     308.009  23.789  10.490  25.433  12.657  -1.644329      16.43920 
1 1 1 -20 28  27 o 26.540  10.711  135.676    106.444  136.754    113.066  127.275    315.681  26.491  10.908  26.414  13.089  0.7719421E-01  17.03836 
1 1 1 -20 28  28 o 25.373  8.8692  108.549    67.264   126.841    99.843   93.346     91.020   26.097  10.430  23.857  9.8009  2.240208       14.31208 
1 1 1 -20 28  29 o 26.593  9.0070  120.908    69.201   67.521     107.750  158.386    90.280   22.731  10.021  28.954  10.262  -6.223162      14.34318 
1 1 1 -20 28  30 o 18.397  8.2955  11.880     78.331   105.992    248.654  1.5112     82.533   25.802  12.541  18.190  8.3240  7.612162       15.05203 
1 1 1 -20 28  31 o 22.010  9.4062  67.799     89.075   157.159    259.153  55.828     94.854   26.408  12.828  21.512  9.4452  4.895948       15.93000 
1 1 1 -20 28  32 o 24.724  9.9506  112.497    91.585   73.712     263.861  117.810    97.656   24.643  12.167  25.004  10.198  -0.3604374     15.87525 
1 1 1 -20 28  33 o 18.847  8.5528  21.681     84.829   136.877    240.326  5.2863     90.665   24.889  12.148  18.445  8.5423  6.443384       14.85104 
1 1 1 -20 29  1  o 55.094  13.714  530.064    182.611  0.0000     0.0000   530.064    182.611  ?       ?       55.094  13.714  0.000000       13.71414 
1 1 1 -20 29  2  o 39.549  10.078  238.939    96.994   232.037    126.284  248.867    151.465  37.212  12.156  37.508  13.292  -0.2957458     18.01287 
1 1 1 -20 29  3  o 29.602  8.4582  127.057    63.782   94.977     71.611   250.178    140.292  26.038  9.1486  37.943  12.825  -11.90562      15.75341 
1 1 1 -20 29  4  o 19.911  7.2105  48.536     44.827   -11.4736   60.569   121.219    66.659   16.450  7.3661  28.814  8.7583  -12.36410      11.44407 
1 1 1 -20 29  5  o 34.035  7.4333  162.468    59.667   147.487    85.596   176.628    83.219   31.074  9.9971  34.100  9.6329  -3.025879      13.88293 
1 1 1 -20 29  6  o 16.012  6.9626  2.3868     50.459   44.126     77.137   -28.8346   66.714   21.865  9.0071  16.233  7.4488  5.631920       11.68817 
1 1 1 -20 29  7  o 27.586  7.9388  109.266    56.002   192.101    85.452   46.905     74.144   35.441  9.6686  21.817  8.8905  13.62448       13.13484 
1 1 1 -20 29  8  o 36.442  7.1473  184.864    60.941   152.860    92.933   209.010    80.720   31.208  10.438  37.472  8.9926  -6.263708      13.77785 
1 1 1 -20 29  9  o 10.525  5.1428  -73.5836   43.407   -133.0351  78.747   -47.6342   52.025   13.795  6.7787  13.132  6.2054  0.6620674      9.190119 
1 1 1 -20 29  10 o 14.985  6.8197  -19.8333   54.432   -198.7502  127.594  19.972     60.183   17.209  8.4899  18.417  7.7962  -1.207298      11.52639 
1 1 1 -20 29  11 o 14.854  6.8273  -26.3119   56.364   -56.7937   130.236  -19.2866   62.523   20.975  9.8830  16.074  7.3129  4.901485       12.29437 
1 1 1 -20 29  12 o 37.017  9.0029  208.189    80.084   311.526    169.689  178.576    90.837   38.990  14.042  33.208  10.248  5.781895       17.38419 
1 1 1 -20 29  13 o 28.538  9.3571  126.434    74.794   138.711    152.952  122.575    85.746   29.426  12.441  27.990  9.9924  1.436079       15.95710 
1 1 1 -20 29  14 o 28.224  8.2349  119.787    59.887   151.692    86.967   91.012     82.589   30.456  10.095  25.115  9.6459  5.340803       13.96244 
1 1 1 -20 29  15 o 33.855  8.0094  170.935    64.765   275.030    96.102   84.322     87.662   41.483  9.7180  24.570  9.7879  16.91296       13.79283 
1 1 1 -20 29  16 o 21.677  8.1509  63.572     58.210   21.066     86.441   98.842     78.739   20.305  8.9623  25.408  9.4944  -5.103052      13.05623 
1 1 1 -20 29  17 o 19.039  7.7680  37.424     56.689   -13.7735   87.385   74.627     74.491   18.528  8.5105  23.116  9.0813  -4.588261      12.44582 
1 1 1 -20 29  18 o 14.941  6.7631  -10.6699   52.644   133.934    78.016   -131.5616  71.333   28.320  9.5637  12.594  6.2374  15.72541       11.41794 
1 1 1 -20 29  19 f 37.667  7.5147  211.360    66.274   164.127    93.916   258.212    93.536   30.112  10.483  39.060  9.8663  -8.947712      14.39547 
1 1 1 -20 29  20 f 26.054  8.4545  108.884    61.119   146.111    84.825   68.689     88.141   28.721  9.9644  22.633  9.4998  6.088001       13.76725 
1 1 1 -20 29  21 o 16.089  7.1487  4.1882     55.900   28.510     86.848   -13.0151   73.041   20.044  8.9081  16.854  7.7560  3.189844       11.81139 
1 1 1 -20 29  22 o 23.707  8.2551  89.679     58.245   140.169    86.001   46.898     79.164   27.666  9.9922  20.553  8.8278  7.112980       13.33319 
1 1 1 -20 29  23 o 15.455  6.9834  -3.7996    55.847   93.022     86.135   -74.0182   73.354   23.755  9.6186  14.278  6.9088  9.477118       11.84270 
1 1 1 -20 29  24 o 20.729  9.2280  41.119     93.585   52.764     98.936   -57.8686   288.453  21.542  9.5440  23.793  11.904  -2.251118      15.25732 
1 1 1 -20 29  25 o 27.902  10.960  160.424    108.502  151.854    115.551  224.300    315.467  27.122  11.081  27.281  13.437  -0.1589413     17.41689 
1 1 1 -20 29  26 o 21.342  8.7419  65.140     72.148   81.366     119.155  55.747     90.655   23.407  10.417  21.355  9.3085  2.052526       13.97006 
1 1 1 -20 29  27 o 17.260  7.6477  13.615     63.541   -6.1148    95.267   29.425     85.281   18.680  8.6873  19.695  8.7854  -1.015211      12.35529 
1 1 1 -20 29  28 o 19.804  8.1358  49.758     62.722   -86.6047   94.786   155.979    83.656   15.927  7.7417  28.963  9.9028  -13.03618      12.56976 
1 1 1 -20 29  29 o 16.519  7.8059  -34.6505   82.328   437.777    228.976  -104.7913  88.228   34.118  14.834  14.801  7.2533  19.31699       16.51206 
1 1 1 -20 29  30 o 14.892  7.1633  -60.7755   76.051   50.329     225.299  -75.0632   80.793   23.968  11.713  14.886  7.2152  9.081802       13.75675 
1 1 1 -20 29  31 o 16.906  7.9585  -22.8790   84.109   -186.9362  229.421  2.5955     90.404   20.402  10.263  18.389  8.5213  2.013042       13.33909 
1 1 1 -20 29  32 o 26.759  10.411  153.317    97.145   231.719    270.723  141.730    104.076  25.776  12.647  25.663  10.504  0.1125431      16.44002 
1 1 1 -20 30  1  f 28.668  9.5465  122.559    77.742   0.0000     0.0000   122.559    77.742   ?       ?       28.668  9.5465  0.000000       9.546462 
1 1 1 -20 30  2  o 28.028  8.1384  113.581    58.619   123.751    102.080  108.578    71.601   28.802  10.801  27.258  9.1622  1.543730       14.16360 
1 1 1 -20 30  3  o 11.862  5.7339  -69.8557   50.220   81.819     75.812   -188.4564  67.039   24.742  9.3023  10.987  5.5291  13.75539       10.82144 
1 1 1 -20 30  4  o 60.008  5.3656  469.805    77.301   655.722    106.320  261.306    112.591  70.041  6.3242  39.939  11.178  30.10223       12.84260 
1 1 1 -20 30  5  o 23.176  8.0949  73.287     56.027   45.466     82.609   96.984     76.241   22.204  9.2488  26.044  9.4078  -3.839993      13.19271 
1 1 1 -20 30  6  f 25.459  8.0775  93.112     56.029   40.662     81.122   140.956    77.478   21.727  9.1162  30.321  9.4824  -8.593964      13.15380 
1 1 1 -20 30  7  o 26.552  7.9600  102.259    55.340   91.389     82.161   111.286    74.871   25.561  9.6675  27.288  9.3675  -1.726820      13.46147 
1 1 1 -20 30  8  o 19.489  8.0426  32.684     61.635   31.631     132.879  32.973     69.572   24.312  10.897  20.192  8.4557  4.119753       13.79252 
1 1 1 -20 30  9  o 10.295  5.1074  -104.7399  48.598   -135.9266  131.108  -99.7724   52.326   18.757  9.1142  11.050  5.4487  7.706461       10.61874 
1 1 1 -20 30  10 o 34.898  9.3466  190.004    80.729   239.415    164.477  174.323    92.658   34.595  13.522  32.542  10.394  2.052998       17.05547 
1 1 1 -20 30  11 o 43.551  8.3267  280.406    84.783   193.980    175.624  306.669    96.811   31.797  13.381  44.679  9.2353  -12.88211      16.25879 
1 1 1 -20 30  12 o 16.430  7.0953  9.6217     51.688   6.1067     86.125   11.600     64.619   19.638  8.7892  17.992  7.8503  1.645788       11.78465 
1 1 1 -20 30  13 o 18.550  7.4487  35.638     51.190   24.412     79.919   43.448     66.660   20.058  8.7418  20.392  8.3836  -0.3339844     12.11211 
1 1 1 -20 30  14 o 12.716  5.9554  -33.2486   46.075   -59.2298   74.905   -17.4350   58.438   15.407  7.3286  15.370  7.0224  0.3726292E-01  10.15002 
1 1 1 -20 30  15 o 24.805  8.4197  94.380     60.472   120.450    91.168   73.900     80.806   26.921  10.183  23.192  9.3423  3.728724       13.81938 
1 1 1 -20 30  16 o 16.907  7.3168  14.039     55.198   104.952    82.078   -61.0294   74.583   25.512  9.6593  15.172  7.2435  10.33953       12.07352 
1 1 1 -20 30  17 o 53.108  6.1075  392.409    77.268   290.740    112.809  482.263    106.051  39.451  11.240  56.591  7.9420  -17.13947      13.76303 
1 1 1 -20 30  18 o 41.350  7.3842  254.487    71.370   421.602    99.968   80.767     101.924  52.451  8.1172  23.697  10.093  28.75314       12.95216 
1 1 1 -20 30  19 o 15.942  7.1329  0.9522     56.682   87.564     88.129   -60.1525   74.023   23.651  9.6716  14.930  7.1518  8.720819       12.02864 
1 1 1 -20 30  20 o 21.247  8.0581  66.783     57.182   15.004     85.705   108.326    76.768   19.102  8.6395  25.104  9.3759  -6.002356      12.74945 
1 1 1 -20 30  21 o 31.041  8.6327  161.218    67.381   242.500    99.849   93.251     91.306   35.381  10.711  23.708  9.7866  11.67371       14.50896 
1 1 1 -20 30  22 o 38.168  10.062  265.677    94.506   271.347    97.693   182.991    373.062  38.214  10.302  26.509  13.302  11.70558       16.82445 
1 1 1 -20 30  23 o 23.493  9.9116  92.249     96.750   95.956     100.236  41.719     370.065  23.740  10.056  25.134  12.691  -1.394176      16.19222 
1 1 1 -20 30  24 o 13.115  6.4809  -117.8478  75.449   -111.0351  77.437   -245.4509  335.136  13.509  6.6548  22.510  11.437  -9.000987      13.23216 
1 1 1 -20 30  25 o 37.806  8.0119  227.707    71.213   205.225    107.616  245.221    94.983   30.987  11.180  35.972  10.335  -4.985804      15.22494 
1 1 1 -20 30  26 o 18.726  7.9338  37.331     62.408   38.368     103.275  36.735     78.327   20.882  9.4607  19.613  8.5980  1.269142       12.78399 
1 1 1 -20 30  27 o 20.639  8.4437  59.344     67.207   141.900    98.111   -13.6400   92.248   26.797  10.452  18.062  8.4490  8.734814       13.43992 
1 1 1 -20 30  28 o 21.872  9.2866  70.508     85.803   -54.5150   246.674  87.716     91.518   22.684  11.295  23.058  9.6793  -0.3749046     14.87510 
1 1 1 -20 30  29 o 16.491  7.7863  -28.7433   81.611   237.399    247.033  -61.3493   86.466   26.983  12.962  15.748  7.5904  11.23502       15.02105 
1 1 1 -20 30  30 o 26.802  10.368  151.115    95.921   227.246    263.916  139.528    102.962  25.991  12.696  25.698  10.475  0.2932396      16.45954 
1 1 1 -20 30  31 o 31.249  10.898  220.489    101.522  143.089    273.170  232.893    109.355  24.005  11.942  31.303  11.273  -7.297880      16.42253 
1 1 1 -20 31  1  o 45.536  6.6757  283.316    71.570   294.104    104.973  273.946    97.834   43.361  10.156  42.188  9.7524  1.173458       14.08002 
1 1 1 -20 31  2  o 15.188  6.7306  -5.1352    49.233   -12.2054   70.829   1.4739     68.482   17.483  7.8854  18.018  7.9637  -0.5353642     11.20720 
1 1 1 -20 31  3  o 19.875  7.7503  43.963     53.935   -66.8916   79.935   136.609    73.076   16.016  7.6044  29.907  9.1856  -13.89085      11.92488 
1 1 1 -20 31  4  o 75.603  4.9399  740.247    90.122   822.417    123.592  646.949    131.696  77.818  6.6080  67.028  8.2731  10.79060       10.58824 
1 1 1 -20 31  5  o 47.321  6.2342  303.257    69.839   234.223    94.784   385.253    103.299  38.331  10.063  51.174  8.6261  -12.84234      13.25419 
1 1 1 -20 31  6  o 22.002  8.6891  58.092     68.532   -112.3677  141.961  109.888    78.254   20.091  9.6939  26.915  9.5526  -6.824909      13.60968 
1 1 1 -20 31  7  o 33.714  9.6853  181.203    83.419   286.398    159.480  141.582    97.876   37.486  13.596  29.427  10.655  8.059538       17.27394 
1 1 1 -20 31  8  o 16.433  7.3539  -5.9803    60.277   53.376     132.034  -21.6083   67.749   24.741  10.990  16.433  7.5280  8.308283       13.32137 
1 1 1 -20 31  9  o 24.449  8.8353  87.664     67.254   12.296     143.166  109.006    76.184   23.510  10.834  26.539  9.4247  -3.029173      14.35949 
1 1 1 -20 31  10 o 17.311  7.2504  21.873     51.165   -37.3870   87.082   53.117     63.230   17.634  8.2357  20.988  8.3279  -3.353956      11.71242 
1 1 1 -20 31  11 o 23.994  8.0882  85.603     55.799   64.510     86.418   100.685    73.073   22.911  9.4945  25.506  9.2108  -2.595142      13.22812 
1 1 1 -20 31  12 o 24.896  8.1346  94.231     56.545   133.511    88.861   67.503     73.301   28.094  10.155  22.467  8.9502  5.626661       13.53650 
1 1 1 -20 31  13 o 26.251  8.2689  107.257    58.797   31.318     92.685   158.398    76.062   20.988  9.2710  30.929  9.3455  -9.941603      13.16399 
1 1 1 -20 31  14 o 24.097  8.0031  88.956     54.650   15.666     84.184   142.340    71.847   19.475  8.7048  29.337  9.1243  -9.862095      12.61057 
1 1 1 -20 31  15 o 25.625  8.4193  104.701    60.542   184.855    95.570   50.974     78.244   31.596  10.585  21.083  8.9051  10.51287       13.83308 
1 1 1 -20 31  16 o 23.668  8.2088  87.784     57.565   127.634    84.838   53.784     78.365   26.893  9.8918  21.140  8.9197  5.752520       13.31950 
1 1 1 -20 31  17 o 10.679  5.2490  -79.7585   47.292   -66.8248   88.257   -84.9681   56.013   16.075  7.7288  11.798  5.7813  4.276958       9.651857 
1 1 1 -20 31  18 o 33.654  8.0094  179.872    64.459   197.089    100.808  167.964    83.838   31.364  10.864  30.185  9.9071  1.178467       14.70277 
1 1 1 -20 31  19 o 19.448  7.8063  49.851     56.201   -13.1728   81.093   108.097    77.959   17.288  8.0316  24.802  9.4082  -7.513752      12.37017 
1 1 1 -20 31  20 o 20.996  8.1677  66.236     59.789   134.539    88.412   8.6752     81.162   26.529  10.030  18.229  8.3082  8.300032       13.02389 
1 1 1 -20 31  21 o 21.154  9.1704  58.781     87.005   67.286     89.567   -83.5309   366.378  21.728  9.3618  23.865  12.109  -2.137619      15.30561 
1 1 1 -20 31  22 o 35.197  11.218  260.432    107.977  240.156    112.446  500.412    386.849  32.949  11.470  28.829  14.321  4.120066       18.34791 
1 1 1 -20 31  23 o 25.798  10.425  132.770    100.968  129.240    105.542  170.873    346.730  25.469  10.518  25.780  12.921  -0.3112068     16.66068 
1 1 1 -20 31  24 o 24.624  8.4454  102.824    60.850   174.369    89.080   40.235     83.318   29.740  10.217  19.917  8.7946  9.822531       13.48104 
1 1 1 -20 31  25 o 25.359  8.6487  110.694    63.809   -3.8391    105.837  176.098    79.979   19.171  8.9939  30.864  9.6314  -11.69254      13.17778 
1 1 1 -20 31  26 o 23.567  8.5093  93.515     62.363   75.651     98.905   105.305    80.349   22.366  9.7366  24.249  9.4586  -1.883745      13.57447 
1 1 1 -20 31  27 f 18.019  7.9532  24.357     68.076   -227.4106  239.621  46.462     71.001   20.249  10.223  19.621  8.3919  0.6280098      13.22604 
1 1 1 -20 31  28 o 20.091  8.6487  52.596     76.303   127.963    233.170  43.557     80.750   24.520  11.968  19.720  8.6852  4.799364       14.78715 
1 1 1 -20 31  29 o 22.681  9.1341  92.742     77.221   -101.5865  254.635  112.424    81.037   21.229  10.695  24.133  9.4747  -2.904383      14.28841 
1 1 1 -20 32  1  o 38.910  7.5779  216.929    68.971   146.933    98.762   283.562    96.360   29.962  10.721  42.800  9.5242  -12.83814      14.34056 
1 1 1 -20 32  2  o 46.411  6.2336  292.924    68.423   363.643    93.129   209.973    100.861  50.251  7.8985  35.322  10.782  14.92891       13.36529 
1 1 1 -20 32  3  o 36.385  7.5071  190.614    64.078   95.701     87.986   297.805    93.504   25.680  9.9309  44.284  9.0086  -18.60373      13.40810 
1 1 1 -20 32  4  o 14.664  6.8189  -33.6247   58.678   -229.5562  129.792  16.710     65.785   16.535  8.2270  18.504  7.9980  -1.969223      11.47394 
1 1 1 -20 32  5  o 21.829  8.6576  58.478     68.306   3.3499     133.752  77.928     79.447   22.741  10.476  23.895  9.3813  -1.154091      14.06284 
1 1 1 -20 32  6  o 16.158  7.3233  -12.7090   61.958   -184.5111  128.127  39.726     70.784   17.158  8.4726  20.443  8.5423  -3.284904      12.03142 
1 1 1 -20 32  7  o 16.813  7.6072  -9.5911    66.519   222.958    142.444  -74.4473   75.225   33.269  12.694  14.923  7.1647  18.34596       14.57633 
1 1 1 -20 32  8  o 20.247  7.9166  50.420     56.391   118.011    86.280   0.0157     74.508   26.951  9.9646  18.098  8.1321  8.852732       12.86177 
1 1 1 -20 32  9  o 19.311  7.6907  42.790     54.109   -52.3770   86.963   102.908    69.118   16.876  7.9889  25.608  8.9884  -8.732258      12.02556 
1 1 1 -20 32  10 o 27.167  7.9968  113.680    56.253   56.106     86.619   155.675    73.977   22.099  9.3538  30.800  9.1964  -8.701204      13.11743 
1 1 1 -20 32  11 o 18.245  7.5171  32.863     53.739   20.654     90.087   39.607     66.957   20.155  9.0072  19.759  8.2859  0.3964291      12.23870 
1 1 1 -20 32  12 o 14.574  6.6235  -11.7951   51.124   5.6744     83.833   -22.1388   64.508   18.844  8.5317  15.630  7.2269  3.214069       11.18115 
1 1 1 -20 32  13 o 59.087  5.5201  476.691    78.225   389.883    112.999  556.574    108.398  47.717  10.076  61.236  7.4489  -13.51888      12.53033 
1 1 1 -20 32  14 o 20.481  7.9481  58.148     56.513   45.154     90.928   66.326     72.138   21.100  9.2565  21.714  8.7989  -0.6141586     12.77118 
1 1 1 -20 32  15 o 24.503  8.2847  97.352     58.545   -57.0783   89.764   211.670    77.231   16.475  7.8875  35.575  8.9539  -19.09992      11.93249 
1 1 1 -20 32  16 o 18.660  7.9072  35.918     62.009   59.697     88.307   12.789     87.093   21.504  9.2804  18.951  8.6253  2.552895       12.66974 
1 1 1 -20 32  17 o 10.387  5.1905  -120.7846  54.101   -176.3587  77.932   -69.0884   75.164   12.054  6.0528  14.527  7.0206  -2.473387      9.269561 
1 1 1 -20 32  18 o 23.717  8.6815  95.654     65.234   110.551    101.782  85.268     84.983   24.399  10.223  22.757  9.4216  1.642626       13.90250 
1 1 1 -20 32  19 o 22.920  9.4264  89.264     84.314   82.837     86.613   205.566    368.423  22.500  9.4292  25.862  13.008  -3.361486      16.06622 
1 1 1 -20 32  20 o 16.071  7.7681  -65.0400   92.135   -91.1201   95.091   334.983    372.417  15.570  7.6089  26.872  13.456  -11.30228      15.45867 
1 1 1 -20 32  21 o 26.022  10.452  139.727    100.832  114.806    104.515  474.771    383.219  24.380  10.295  28.037  13.980  -3.657185      17.36114 
1 1 1 -20 32  22 o 42.407  7.6133  282.394    75.459   293.647    108.091  271.696    105.391  37.748  11.078  36.210  11.014  1.538090       15.62122 
1 1 1 -20 32  23 o 23.362  5.8380  79.748     33.000   296.207    192.066  73.164     33.498   29.836  13.254  22.233  6.0486  7.602774       14.56931 
1 1 1 -20 32  24 o 23.707  8.3302  94.976     59.374   29.181     91.580   142.686    77.984   19.624  8.8981  27.494  9.5533  -7.870327      13.05532 
1 1 1 -20 32  25 o 27.962  9.9989  155.195    85.892   212.682    253.042  147.709    91.313   26.162  12.701  26.980  10.195  -0.8181591     16.28642 
1 1 1 -20 32  26 o 15.132  7.1259  -27.6339   67.548   98.258     224.360  -40.1826   70.835   23.907  11.684  14.933  7.1100  8.973264       13.67722 
1 1 1 -20 32  27 o 21.479  9.0354  75.750     80.020   250.836    253.502  56.374     84.332   25.935  12.619  20.367  8.9252  5.567358       15.45598 
1 1 1 -20 32  28 o 23.994  9.6307  116.850    85.534   -24.7019   240.773  137.294    91.503   21.437  10.747  25.244  10.018  -3.807425      14.69188 
1 1 1 -20 33  1  o 30.069  9.6420  146.573    79.672   -115.8230  147.476  254.720    94.678   20.059  9.7285  39.666  9.8754  -19.60668      13.86243 
1 1 1 -20 33  2  o 45.726  8.6816  317.250    92.800   307.513    167.426  321.568    111.493  37.311  13.864  43.790  10.606  -6.478966      17.45529 
1 1 1 -20 33  3  o 18.620  8.1169  16.571     68.939   -76.5636   137.561  47.807     79.666   20.262  9.7172  21.490  9.0264  -1.228554      13.26276 
1 1 1 -20 33  4  o 18.124  7.9178  13.994     65.913   55.928     139.300  1.8960     74.819   24.568  11.072  18.235  8.1744  6.333233       13.76250 
1 1 1 -20 33  5  o 16.778  7.5409  -3.9076    64.114   -36.2588   139.250  4.7956     72.225   21.300  10.091  18.100  8.0787  3.200048       12.92645 
1 1 1 -20 33  6  o 22.617  8.2628  74.398     59.052   98.248     86.250   53.351     81.020   25.117  9.7991  21.696  9.1073  3.421480       13.37777 
1 1 1 -20 33  7  o 40.221  6.9897  233.600    65.738   218.024    91.538   250.188    94.467   35.520  10.127  38.340  10.037  -2.819672      14.25823 
1 1 1 -20 33  8  o 22.965  8.3886  79.213     60.860   105.093    93.101   59.901     80.424   25.400  10.097  21.911  9.1261  3.489460       13.61000 
1 1 1 -20 33  9  o 17.163  7.3681  19.099     55.099   21.998     82.590   16.774     73.965   19.589  8.6973  18.659  8.2601  0.9302387      11.99469 
1 1 1 -20 33  10 o 20.652  7.9161  59.286     55.555   83.785     86.303   41.951     72.597   23.499  9.5858  20.065  8.5313  3.434462       12.83239 
1 1 1 -20 33  11 o 15.881  6.8977  11.602     49.408   -118.4402  84.410   79.378     60.938   14.219  6.9936  22.669  8.3758  -8.450173      10.91163 
1 1 1 -20 33  12 o 27.642  8.3020  124.882    60.157   105.366    91.650   139.654    79.739   24.728  9.9535  27.880  9.6617  -3.152630      13.87159 
1 1 1 -20 33  13 o 24.893  8.4118  102.485    60.356   154.522    94.936   67.185     78.191   28.140  10.443  21.697  9.0146  6.442287       13.79559 
1 1 1 -20 33  14 o 17.311  7.5995  18.508     61.386   -14.9531   85.345   54.377     88.361   17.502  8.1672  21.071  9.1873  -3.568941      12.29265 
1 1 1 -20 33  15 o 18.496  8.2416  23.361     74.838   186.638    152.169  -28.7308   85.951   27.400  11.999  16.902  7.9834  10.49834       14.41179 
1 1 1 -20 33  16 o 14.181  6.6528  -27.6268   57.899   -40.1201   80.388   -14.1599   83.462   15.930  7.5818  17.202  8.0435  -1.271647      11.05354 
1 1 1 -20 33  17 o 29.402  8.8635  153.535    68.476   231.393    95.455   70.990     98.286   33.865  10.514  21.849  9.6034  12.01590       14.24008 
1 1 1 -20 33  18 o 15.649  7.5478  -59.2495   85.860   -45.7293   92.442   -144.1782  231.689  16.609  7.9657  20.693  10.397  -4.083517      13.09736 
1 1 1 -20 33  19 o 23.950  10.004  110.230    97.033   107.122    101.003  147.443    349.500  23.727  10.075  24.751  12.477  -1.023794      16.03719 
1 1 1 -20 33  20 o 25.671  10.391  138.233    100.479  155.803    104.098  -101.3142  384.375  26.701  10.657  ?       ?       0.000000       10.65687 
1 1 1 -20 33  21 o 27.698  8.3309  132.107    60.544   189.435    89.285   83.307     82.376   30.551  10.231  22.243  9.2480  8.308138       13.79164 
1 1 1 -20 33  22 o 24.910  8.5874  109.035    62.952   165.785    92.113   59.299     86.233   28.268  10.321  20.838  9.0811  7.429123       13.74725 
1 1 1 -20 33  23 o 15.009  6.8512  -5.5323    55.463   46.113     87.579   -40.1146   71.666   20.124  8.9446  15.025  7.1532  5.098545       11.45310 
1 1 1 -20 33  24 o 17.665  7.9791  16.041     72.829   0.0000     0.0000   16.041     72.829   ?       ?       17.665  7.9791  0.000000       7.979055 
1 1 1 -20 33  25 o 25.604  9.8348  133.716    85.862   416.808    256.917  98.122     91.100   28.933  13.707  22.924  9.6419  6.009041       16.75850 
1 1 1 -20 33  26 o 11.330  5.6276  -106.1453  59.689   -224.2211  214.458  -96.2305   62.145   18.731  9.4777  11.907  5.8836  6.823246       11.15543 
1 1 1 -20 33  27 o 21.946  9.0740  91.235     78.677   49.590     256.293  95.567     82.668   21.921  11.003  22.196  9.2493  -0.2744637     14.37429 
1 1 1 -20 34  1  o 13.458  6.4762  -67.9259   62.307   -76.4725   116.998  -64.5425   73.614   18.610  8.9349  14.985  7.1659  3.625021       11.45346 
1 1 1 -20 34  2  o 42.941  9.2637  295.615    93.685   280.589    158.627  303.664    116.095  34.979  13.384  40.689  11.337  -5.710121      17.53999 
1 1 1 -20 34  3  o 21.716  8.9037  59.388     74.938   187.515    143.648  11.482     87.837   30.114  12.335  19.578  8.8103  10.53617       15.15834 
1 1 1 -20 34  4  o 27.020  8.2300  114.901    58.815   58.516     85.063   166.547    81.411   22.018  9.2917  31.138  9.7172  -9.120634      13.44466 
1 1 1 -20 34  5  o 30.949  8.3008  151.614    63.621   120.206    87.122   187.499    93.126   26.464  9.9677  32.081  10.437  -5.616678      14.43225 
1 1 1 -20 34  6  o 26.997  8.3727  117.112    60.547   120.062    87.240   114.371    84.098   26.313  9.9594  25.896  9.7840  0.4170570      13.96123 
1 1 1 -20 34  7  o 38.909  7.3185  226.191    66.557   233.842    92.956   218.143    95.341   36.145  10.171  34.349  10.482  1.796135       14.60519 
1 1 1 -20 34  8  o 45.993  6.5993  305.362    71.536   269.740    105.123  336.085    97.628   37.692  10.885  45.033  9.2443  -7.341183      14.28105 
1 1 1 -20 34  9  o 19.702  7.9854  49.531     59.431   180.581    90.334   -50.4796   78.914   30.893  10.291  15.701  7.4835  15.19223       12.72411 
1 1 1 -20 34  10 o 16.759  7.2630  18.164     54.543   -26.3264   83.593   51.146     71.975   16.984  7.9759  20.319  8.5595  -3.335390      11.69958 
1 1 1 -20 34  11 o 31.573  8.3583  164.922    65.037   112.590    100.092  203.161    85.561   24.749  10.234  33.129  9.8899  -8.380079      14.23179 
1 1 1 -20 34  12 o 16.626  7.4076  10.498     60.439   24.862     85.625   -3.7651    85.323   19.225  8.6707  17.869  8.2795  1.356220       11.98878 
1 1 1 -20 34  13 o 15.228  7.1971  -33.2687   70.042   183.438    140.872  -104.4327  80.727   27.248  11.741  13.919  6.8446  13.32912       13.59007 
1 1 1 -20 34  14 o 13.806  6.7130  -74.1433   71.434   -122.3922  153.767  -60.8644   80.668   18.409  9.1243  15.152  7.3102  3.256496       11.69155 
1 1 1 -20 34  15 o 33.602  8.5104  193.395    69.462   199.072    97.614   187.572    98.867   30.412  10.681  29.342  10.696  1.069723       15.11588 
1 1 1 -20 34  16 o 34.489  11.284  265.716    108.786  256.987    120.099  305.615    256.755  32.297  11.786  27.093  13.064  5.203648       17.59472 
1 1 1 -20 34  17 o 20.171  9.0718  46.534     92.970   88.290     100.631  -196.8164  242.936  22.463  9.7989  20.134  10.178  2.328609       14.12844 
1 1 1 -20 34  18 o 15.996  7.6900  -48.2883   87.314   -37.2249   93.914   -118.8103  237.108  16.846  8.0658  20.781  10.450  -3.934971      13.20106 
1 1 1 -20 34  19 o 12.468  6.0291  -57.7326   55.653   -112.8815  74.589   11.528     83.589   12.938  6.4025  18.063  8.3066  -5.124598      10.48770 
1 1 1 -20 34  20 o 12.671  6.1008  -52.2927   55.489   -94.5871   73.010   5.5481     85.381   13.277  6.5250  17.927  8.2980  -4.650375      10.55616 
1 1 1 -20 34  21 o 17.330  7.6502  22.505     63.012   -9.1552    85.939   59.315     92.665   17.348  8.1275  20.832  9.2326  -3.484200      12.30035 
1 1 1 -20 34  22 o 16.107  7.5330  -14.9885   73.259   -109.3754  205.289  -1.2144    78.423   20.123  10.064  17.123  7.9352  3.000385       12.81611 
1 1 1 -20 34  23 o 18.097  8.1145  25.952     73.769   0.0000     0.0000   25.952     73.769   ?       ?       18.097  8.1145  0.000000       8.114471 
1 1 1 -20 34  24 o 14.950  7.0765  -27.6984   68.203   0.0000     0.0000   -27.6984   68.203   ?       ?       14.950  7.0765  0.000000       7.076488 
1 1 1 -20 34  25 f 14.899  7.0881  -30.1577   70.129   315.351    242.827  -61.5974   73.250   25.781  12.499  14.055  6.8255  11.72607       14.24103 
1 1 1 -20 35  1  f 32.961  8.6029  175.081    69.538   191.319    100.501  160.168    96.315   31.703  10.854  29.334  10.577  2.369267       15.15557 
1 1 1 -20 35  2  o 37.844  7.6491  217.387    67.823   196.344    94.037   240.200    97.912   32.540  10.479  36.244  10.516  -3.703926      14.84639 
1 1 1 -20 35  3  o 35.394  7.9273  194.628    66.388   223.498    92.185   163.524    95.685   35.172  10.204  29.373  10.548  5.798697       14.67607 
1 1 1 -20 35  4  o 35.540  7.8141  195.835    65.549   205.283    88.900   184.579    97.033   33.603  10.092  30.911  10.661  2.691418       14.68040 
1 1 1 -20 35  5  o 17.327  7.4798  21.371     57.391   61.776     85.152   -12.2604   77.688   21.685  9.2304  17.181  7.9395  4.503799       12.17522 
1 1 1 -20 35  6  o 21.884  8.1548  73.834     58.009   61.788     83.103   85.280     81.011   21.504  9.1352  23.083  9.3345  -1.578224      13.06083 
1 1 1 -20 35  7  o 14.608  6.7200  -14.8109   54.765   -147.0180  95.993   48.984     66.681   14.479  7.1821  19.857  8.2936  -5.378200      10.97117 
1 1 1 -20 35  8  o 18.282  7.6358  37.115     56.523   119.391    85.191   -27.5882   75.547   25.387  9.7845  16.109  7.5705  9.278404       12.37132 
1 1 1 -20 35  9  o 30.591  8.4220  157.841    64.491   153.708    96.365   161.195    86.793   27.430  10.447  28.669  10.072  -1.239052      14.51126 
1 1 1 -20 35  10 o 22.520  8.7910  85.275     69.450   122.745    91.951   35.511     105.966  25.093  10.016  20.483  9.3947  4.610262       13.73216 
1 1 1 -20 35  11 o 20.480  8.5616  60.937     71.154   51.045     96.506   72.721     105.324  20.691  9.2791  21.959  9.7815  -1.267988      13.48256 
1 1 1 -20 35  12 o 38.769  8.3876  252.541    76.609   160.680    102.096  370.907    115.893  26.961  10.619  42.441  11.120  -15.47938      15.37598 
1 1 1 -20 35  13 o 35.131  8.4871  211.989    71.536   133.827    99.872   294.343    102.515  25.088  10.282  37.908  10.686  -12.82023      14.82889 
1 1 1 -20 35  14 o 23.785  9.9684  114.015    96.816   120.088    105.444  81.397     244.372  24.002  10.245  23.165  11.485  0.8370209      15.39097 
1 1 1 -20 35  15 o 18.322  8.5071  11.237     90.771   15.740     98.227   -15.0922   237.531  18.876  8.7926  21.757  10.873  -2.880634      13.98301 
1 1 1 -20 35  16 o 20.972  9.4647  62.542     102.212  75.576     112.358  -0.0032    246.130  21.723  9.8521  22.003  11.006  -0.2800236     14.77177 
1 1 1 -20 35  17 o 29.298  10.869  199.477    102.833  286.095    114.013  -178.3391  238.118  34.787  11.560  19.933  10.077  14.85372       15.33513 
1 1 1 -20 35  18 o 17.265  7.6844  21.403     64.862   87.828     93.940   -39.1140   89.665   22.182  9.5725  16.380  7.8528  5.802364       12.38146 
1 1 1 -20 35  19 o 31.899  8.8381  183.321    70.765   117.882    95.337   263.609    105.602  24.032  9.9668  34.348  11.110  -10.31548      14.92526 
1 1 1 -20 35  20 o 19.003  8.0950  47.095     65.584   67.558     86.451   19.351     100.663  20.917  9.1045  19.115  8.9030  1.802286       12.73408 
1 1 1 -20 35  21 o 15.681  7.4874  -35.5652   79.747   38.547     167.437  -57.3099   90.695   21.400  10.376  15.817  7.6607  5.583311       12.89746 
1 1 1 -20 35  22 o 19.183  8.8047  34.000     93.291   39.729     192.883  32.251     106.588  21.552  10.594  19.585  9.1350  1.966574       13.98886 
1 1 1 -20 35  23 o 20.112  9.1980  55.554     100.568  0.0000     0.0000   55.554     100.568  ?       ?       20.112  9.1980  0.000000       9.198026 
1 1 1 -20 35  24 o 18.033  8.4148  20.053     90.606   -154.0020  206.161  61.719     100.869  18.511  9.3591  20.066  9.1898  -1.555180      13.11658 
1 1 1 -20 36  1  o 25.937  8.7772  114.034    65.713   196.614    97.532   45.383     88.927   31.566  10.693  20.781  9.1345  10.78492       14.06339 
1 1 1 -20 36  2  f 29.146  8.5282  142.318    64.147   144.129    88.474   140.311    93.142   27.542  10.106  27.025  10.276  0.5167656      14.41264 
1 1 1 -20 36  3  o 17.601  7.4336  29.864     54.513   50.936     74.521   5.6087     79.953   20.318  8.6414  18.035  8.2301  2.282736       11.93354 
1 1 1 -20 36  4  o 15.940  7.1491  3.8103     57.296   1.9244     81.725   5.6333     80.351   17.918  8.2302  17.993  8.2263  -0.7551765E-01 11.63648 
1 1 1 -20 36  5  o 17.320  7.4682  25.114     57.087   82.006     77.909   -40.8461   83.889   22.422  9.1226  16.256  7.7392  6.165415       11.96318 
1 1 1 -20 36  6  o 23.056  8.3685  89.283     60.431   66.232     89.123   108.900    82.217   21.462  9.2926  24.326  9.5456  -2.864077      13.32188 
1 1 1 -20 36  7  o 13.542  6.3689  -28.9886   53.630   50.527     78.421   -98.8488   73.506   20.067  8.7028  13.280  6.5307  6.786930       10.88064 
1 1 1 -20 36  8  o 20.678  8.7813  62.720     76.742   98.643     113.313  32.282     104.305  23.176  10.244  20.053  9.2430  3.122744       13.79718 
1 1 1 -20 36  9  o 24.776  9.0479  114.516    70.797   83.884     93.771   155.125    107.967  22.131  9.5572  26.165  10.703  -4.033352      14.34897 
1 1 1 -20 36  10 o 18.109  8.0374  29.221     70.471   -76.5157   95.685   154.563    104.179  15.726  7.6737  26.104  10.575  -10.37732      13.06602 
1 1 1 -20 36  11 o 29.891  9.2064  169.600    73.349   166.095    96.863   174.312    112.303  27.188  10.445  26.770  10.929  0.4172497      15.11784 
1 1 1 -20 36  12 o 27.043  11.976  226.522    155.608  -4.4631    195.160  629.664    257.827  21.028  10.397  33.241  15.014  -12.21279      18.26252 
1 1 1 -20 36  13 o 21.782  10.797  30.273     215.542  0.0000     0.0000   30.273     215.542  ?       ?       21.782  10.797  0.000000       10.79742 
1 1 1 -20 36  14 o 26.780  10.618  169.794    102.709  123.960    112.163  407.812    255.599  23.695  10.341  27.774  13.300  -4.079140      16.84728 
1 1 1 -20 36  15 o 16.161  7.7252  -32.2919   85.371   24.698     91.535   -413.2447  236.658  18.741  8.6454  ?       ?       0.000000       8.645433 
1 1 1 -20 36  16 f 23.198  8.6587  99.247     65.452   136.246    90.342   58.371     94.957   25.139  9.9610  20.409  9.1747  4.730059       13.54243 
1 1 1 -20 36  17 o 25.807  8.9284  126.684    68.080   247.731    94.682   -2.8902    97.960   34.283  10.442  18.021  8.5153  16.26167       13.47399 
1 1 1 -20 36  18 o 25.545  9.0333  125.793    69.918   165.915    94.174   76.516     104.367  27.167  10.332  21.456  9.6341  5.710762       14.12679 
1 1 1 -20 36  19 o 17.499  8.1409  5.7291     83.779   -161.2053  181.620  50.852     94.426   18.276  9.1850  19.985  9.0508  -1.708706      12.89503 
1 1 1 -20 36  20 o 17.981  8.3115  17.233     85.230   22.209     188.591  15.956     95.543   21.000  10.352  18.416  8.6096  2.583179       13.46472 
1 1 1 -20 36  21 o 23.696  9.8580  125.061    93.683   71.473     190.218  142.221    107.644  21.583  10.592  24.215  10.344  -2.631868      14.80503 
1 1 1 -20 36  22 o 24.254  10.370  150.981    108.350  0.0000     0.0000   150.981    108.350  ?       ?       24.254  10.370  0.000000       10.37009 
1 1 1 -20 36  23 o 21.620  9.4156  102.854    92.566   -69.8960   202.537  148.464    104.071  18.905  9.5264  23.790  10.167  -4.885109      13.93287 
1 1 1 -20 37  1  o 39.413  7.9128  248.777    73.043   237.391    109.769  257.824    97.853   32.742  11.337  36.180  10.518  -3.438206      15.46421 
1 1 1 -20 37  2  f 12.144  5.9069  -67.5807   55.443   -131.6253  76.881   1.8197     80.031   12.808  6.3659  17.583  8.1014  -4.774886      10.30328 
1 1 1 -20 37  3  o 29.717  13.476  335.758    210.099  230.201    339.322  401.386    267.554  25.565  12.808  29.081  13.838  -3.515438      18.85591 
1 1 1 -20 37  4  o 34.962  8.2596  205.234    68.954   220.274    95.953   189.173    99.157   32.370  10.598  29.347  10.709  3.023260       15.06637 
1 1 1 -20 37  5  o 13.239  6.2557  -31.4717   52.872   -23.5752   73.118   -40.1257   76.545   15.722  7.4070  15.370  7.3381  0.3518400      10.42648 
1 1 1 -20 37  6  o 16.235  7.3168  9.2224     60.841   21.446     91.079   -0.6269    81.757   18.786  8.6508  17.295  8.0446  1.490856       11.81324 
1 1 1 -20 37  7  o 20.361  8.4589  65.213     68.840   -26.3663   87.746   211.811    111.018  16.619  7.9128  29.284  11.199  -12.66483      13.71209 
1 1 1 -20 37  8  o 31.690  9.3159  192.333    76.387   115.291    102.724  287.628    114.248  23.424  10.058  34.437  11.574  -11.01249      15.33356 
1 1 1 -20 37  9  o 33.266  9.6681  218.570    82.691   154.227    118.342  279.959    115.592  24.978  10.762  33.395  11.629  -8.416668      15.84474 
1 1 1 -20 37  10 o 17.342  8.1247  0.6150     85.858   -2.1669    93.701   15.176     214.375  17.675  8.3447  21.289  10.589  -3.613527      13.48191 
1 1 1 -20 37  11 o 22.104  11.037  64.041     242.421  0.0000     0.0000   64.041     242.421  ?       ?       22.104  11.037  0.000000       11.03691 
1 1 1 -20 37  12 o 19.476  8.9344  42.173     95.882   16.943     106.257  152.759    222.463  18.865  8.9002  23.295  11.436  -4.430344      14.49162 
1 1 1 -20 37  13 o 20.130  9.1642  55.561     98.383   54.624     107.548  60.365     243.559  20.295  9.3654  22.008  11.000  -1.712589      14.44663 
1 1 1 -20 37  14 o 17.407  7.7639  26.252     66.589   49.794     85.817   -9.3690    105.562  19.535  8.7561  17.974  8.5914  1.560324       12.26713 
1 1 1 -20 37  15 o 17.119  7.7052  20.298     67.216   53.225     88.421   -24.7761   103.454  19.818  8.8851  17.424  8.3749  2.393757       12.21001 
1 1 1 -20 37  16 o 42.454  7.7197  297.171    76.591   344.183    105.200  244.147    111.726  40.746  10.556  30.936  11.356  9.810141       15.50400 
1 1 1 -20 37  17 o 20.734  9.1240  71.526     88.946   171.517    186.831  42.221     101.143  23.903  11.426  19.623  9.0649  4.279161       14.58534 
1 1 1 -20 37  18 o 11.625  5.8297  -144.1850  71.126   -311.9686  165.964  -106.4358  78.721   15.699  7.9833  13.252  6.5613  2.447286       10.33358 
1 1 1 -20 37  19 o 12.580  6.2571  -116.3335  74.822   -13.9448   171.897  -140.2671  83.109   19.651  9.7234  12.825  6.4123  6.826060       11.64741 
1 1 1 -20 37  20 o 15.206  7.3198  -35.9998   79.758   209.712    169.528  -105.8469  90.386   24.196  11.361  14.084  6.9835  10.11236       13.33612 
1 1 1 -20 37  21 o 22.561  9.6562  121.546    94.126   369.881    203.256  53.751     106.200  26.337  12.390  19.347  9.0550  6.990015       15.34642 
1 1 1 -20 38  1  o 30.756  8.7222  169.741    68.090   120.306    103.004  208.109    90.745   24.016  10.185  31.524  10.305  -7.507765      14.48887 
1 1 1 -20 38  2  o 36.519  7.9826  222.370    68.760   146.762    94.548   307.251    100.178  25.889  10.212  39.113  10.383  -13.22411      14.56283 
1 1 1 -20 38  3  f 31.655  8.9890  185.702    72.269   211.257    103.804  161.663    100.676  29.815  10.946  26.427  10.501  3.387924       15.16855 
1 1 1 -20 38  4  o 10.791  5.3634  -100.8171  54.573   -63.7985   85.733   -126.0343  70.760   15.148  7.3629  12.070  6.0166  3.077722       9.508471 
1 1 1 -20 38  5  o 15.957  7.2017  10.135     59.193   57.034     86.057   -31.9776   81.548   19.970  8.8718  15.805  7.5535  4.165185       11.65175 
1 1 1 -20 38  6  o 18.119  7.8438  40.157     63.478   106.979    95.954   -11.8453   84.647   22.716  9.7369  16.713  7.9029  6.003098       12.54051 
1 1 1 -20 38  7  o 26.496  8.8503  135.960    66.803   154.607    95.371   117.999    93.602   25.701  10.218  23.333  9.7915  2.368181       14.15234 
1 1 1 -20 38  8  o 18.974  8.8739  28.739     101.675  3.1322     112.115  147.352    241.296  18.495  8.8441  22.843  11.341  -4.348501      14.38172 
1 1 1 -20 38  9  o 14.914  7.3485  -91.0805   94.626   -103.1607  103.749  -31.3169   230.764  15.270  7.5555  20.512  10.314  -5.241899      12.78570 
1 1 1 -20 38  10 o 11.803  5.9542  -181.4145  80.349   -233.4664  87.596   94.716     201.753  11.635  5.9052  21.945  10.797  -10.31004      12.30642 
1 1 1 -20 38  11 f 15.380  7.5482  -77.3781   96.669   -129.8383  106.116  178.530    234.373  14.861  7.4011  23.191  11.453  -8.330034      13.63597 
1 1 1 -20 38  12 o 18.578  8.1140  45.665     69.185   13.958     92.612   85.703     104.072  18.003  8.4356  21.334  9.5964  -3.330881      12.77689 
1 1 1 -20 38  13 o 13.393  6.4866  -55.2203   64.999   -103.9340  93.761   -10.1494   90.187   14.553  7.1976  17.007  8.0757  -2.453793      10.81765 
1 1 1 -20 38  14 o 24.964  9.1810  127.356    73.080   110.856    95.201   151.028    114.029  22.763  9.7262  24.431  10.545  -1.668037      14.34542 
1 1 1 -20 38  15 o 25.544  9.3421  136.416    75.516   118.822    101.101  158.620    113.577  23.025  9.9336  24.772  10.605  -1.746078      14.53069 
1 1 1 -20 38  16 o 17.548  8.3729  -5.1279    99.342   -428.1545  199.652  134.068    114.525  ?       ?       23.336  10.307  0.000000       10.30716 
1 1 1 -20 38  17 o 20.270  9.2350  69.305     100.156  137.026    197.088  45.728     116.291  22.258  10.893  19.645  9.2811  2.613232       14.31101 
1 1 1 -20 38  18 o 11.291  5.6903  -160.0068  72.353   92.995     165.991  -219.3512  80.392   21.099  10.253  11.071  5.6225  10.02850       11.69355 
1 1 1 -20 38  19 o 19.430  8.7786  64.784     88.226   -81.1995   191.142  104.306    99.454   18.336  9.2414  21.337  9.5047  -3.000977      13.25685 
1 1 1 -20 39  1  o 34.145  9.1496  221.193    77.339   248.054    113.465  197.885    105.695  30.716  11.413  27.967  10.865  2.748753       15.75784 
1 1 1 -20 39  2  o 20.843  8.3699  76.812     64.640   181.439    96.578   -8.0913    87.000   27.477  10.460  16.905  7.9992  10.57244       13.16803 
1 1 1 -20 39  3  o 18.927  8.0815  52.730     65.647   75.012     95.772   32.984     90.158   20.751  9.2794  18.665  8.5997  2.086437       12.65154 
1 1 1 -20 39  4  o 20.182  8.1918  70.232     62.638   42.471     90.558   95.696     86.733   19.041  8.7158  21.831  9.3046  -2.789356      12.74912 
1 1 1 -20 39  5  o 20.617  8.3359  76.168     64.591   9.9076     97.187   128.591    86.446   17.929  8.4749  23.975  9.6611  -6.045708      12.85146 
1 1 1 -20 39  6  o 17.767  8.4226  6.0265     97.322   -1.0547    102.106  76.332     321.732  17.740  8.4710  ?       ?       0.000000       8.471002 
1 1 1 -20 39  7  o 24.455  10.274  150.557    103.234  124.338    108.481  402.070    335.988  22.841  10.063  24.115  12.166  -1.273319      15.78848 
1 1 1 -20 39  8  o 16.618  8.0357  -31.2341   98.831   -29.9390   108.330  -37.6624   241.350  17.138  8.3176  20.202  10.206  -3.064060      13.16631 
1 1 1 -20 39  9  o 19.483  8.9722  51.432     97.980   15.088     106.579  249.774    248.981  18.394  8.7474  23.595  11.680  -5.200937      14.59242 
1 1 1 -20 39  10 o 20.064  8.5330  69.870     72.656   -29.5633   98.952   186.188    107.024  16.681  8.0597  26.398  10.710  -9.717266      13.40393 
1 1 1 -20 39  11 o 13.523  6.5350  -49.5889   65.125   -84.6117   85.456   -1.0690    100.584  14.271  7.0225  17.669  8.4291  -3.398021      10.97108 
1 1 1 -20 39  12 o 16.539  7.5554  14.249     67.606   53.569     88.740   -40.1419   104.370  19.419  8.7861  16.701  8.1191  2.717840       11.96309 
1 1 1 -20 39  13 f 13.610  6.5901  -51.8949   67.002   -26.2736   91.069   -82.1296   98.929   16.327  7.8502  15.286  7.5283  1.041739       10.87663 
1 1 1 -20 39  14 o 19.881  9.9151  -2.6185    193.186  -2.6185    193.186  0.0000     0.0000   19.881  9.9151  ?       ?       0.000000       9.915129 
1 1 1 -20 39  15 o 23.057  10.100  135.457    107.920  228.463    210.050  102.101    125.793  23.387  11.403  21.365  9.9515  2.022444       15.13455 
1 1 1 -20 39  16 o 19.645  9.1082  63.821     103.491  60.744     206.382  64.855     119.617  20.425  10.196  19.860  9.3921  0.5649834      13.86276 
1 1 1 -20 39  17 o 21.349  9.6580  112.117    107.174  -22.7057   214.698  156.862    123.686  19.150  9.6691  22.794  10.337  -3.643637      14.15471 
1 1 1 -20 39  18 o 19.160  8.9744  66.630     104.663  125.540    211.366  47.493     120.469  20.440  10.221  18.724  9.0090  1.715857       13.62451 
1 1 1 -20 40  1  o 16.907  7.7088  20.247     69.967   81.581     102.641  -32.9907   95.628   20.742  9.4108  16.321  7.8952  4.420918       12.28403 
1 1 1 -20 40  2  o 19.790  8.1157  68.349     62.277   42.050     87.467   95.388     88.692   18.663  8.5512  21.443  9.2774  -2.779818      12.61712 
1 1 1 -20 40  3  f 20.781  8.2935  80.582     63.043   109.856    91.384   54.000     87.083   22.203  9.5091  19.186  8.6901  3.017073       12.88180 
1 1 1 -20 40  4  o 19.381  8.9461  53.951     98.229   77.809     103.082  -181.6917  323.961  20.446  9.3360  ?       ?       0.000000       9.335970 
1 1 1 -20 40  5  o 23.480  10.230  145.075    109.393  25.727     115.483  1187.82    341.351  18.773  8.9767  32.838  15.627  -14.06543      18.02212 
1 1 1 -20 40  6  o 23.602  10.063  141.304    101.521  123.109    106.475  323.303    336.750  22.464  9.9293  22.888  11.612  -0.4233036     15.27849 
1 1 1 -20 40  7  o 18.397  8.6335  29.842     97.656   46.791     101.905  -160.7479  341.729  19.151  8.9325  ?       ?       0.000000       8.932529 
1 1 1 -20 40  8  o 17.857  7.7512  43.379     62.318   -35.6580   94.756   103.623    82.726   16.109  7.8092  21.996  9.2163  -5.886827      12.07994 
1 1 1 -20 40  9  o 22.321  8.7168  100.445    68.300   106.238    107.044  96.466     88.703   21.721  9.7546  21.460  9.2812  0.2611904      13.46453 
1 1 1 -20 40  10 o 12.173  6.0233  -92.7182   65.977   -123.5213  93.278   -61.8783   93.334   13.866  6.9112  15.310  7.4936  -1.443637      10.19408 
1 1 1 -20 40  11 f 16.817  7.6488  22.005     68.339   28.773     91.064   13.280     103.399  18.127  8.4513  18.005  8.5773  0.1227379      12.04136 
1 1 1 -20 40  12 o 23.278  10.057  139.924    103.921  156.918    191.048  132.783    123.845  22.110  10.801  22.356  10.218  -0.2461758     14.86804 
1 1 1 -20 40  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -20 40  14 o 24.675  10.477  179.827    109.213  254.481    202.215  149.083    129.766  23.185  11.278  22.344  10.303  0.8409824      15.27584 
1 1 1 -20 40  15 o 16.838  8.1212  -2.3505    99.374   25.122     200.303  -11.3200   114.452  19.281  9.6843  17.140  8.3699  2.140720       12.80009 
1 1 1 -20 40  16 o 19.448  9.0286  80.061     102.179  183.537    194.854  40.815     120.002  21.098  10.424  18.332  8.8622  2.765547       13.68167 
1 1 1 -20 41  1  o 21.419  9.8941  111.663    120.485  65.444     135.505  286.158    263.292  19.971  9.5955  22.877  11.435  -2.905630      14.92727 
1 1 1 -20 41  2  o 20.860  9.7134  96.793     119.715  -141.2381  126.494  2140.74    370.670  15.417  7.7373  49.685  20.011  -34.26786      21.45469 
1 1 1 -20 41  3  o 15.052  7.3153  -44.4642   84.555   -47.7107   87.587   0.0003     324.146  15.158  7.3845  ?       ?       0.000000       7.384530 
1 1 1 -20 41  4  o 20.122  9.1130  78.123     95.735   70.939     99.915   158.620    334.449  19.825  9.1039  ?       ?       0.000000       9.103880 
1 1 1 -20 41  5  o 10.838  5.3790  -89.0857   54.100   -38.2046   85.613   -122.9099  69.804   15.314  7.4236  11.735  5.8690  3.578238       9.463360 
1 1 1 -20 41  6  o 11.311  5.5636  -71.3002   53.445   -69.3073   80.389   -72.8789   71.546   14.046  6.8916  13.194  6.4790  0.8525763      9.458981 
1 1 1 -20 41  7  o 33.192  8.8331  214.463    72.390   184.154    103.690  243.282    101.109  25.741  10.504  30.383  10.850  -4.641916      15.10204 
1 1 1 -20 41  8  o 16.356  7.4194  20.743     63.762   42.526     103.112  7.2562     81.134   18.790  8.8351  16.660  7.8347  2.129936       11.80851 
1 1 1 -20 41  9  o 19.878  8.1888  73.262     63.758   61.944     97.988   81.571     83.962   19.401  8.9483  20.290  8.8981  -0.8882236     12.61935 
1 1 1 -20 41  10 o 14.406  7.0036  -47.4370   77.670   60.986     267.133  -57.4493   81.177   20.365  10.333  14.368  7.0234  5.996841       12.49432 
1 1 1 -20 41  11 o 15.219  7.3648  -31.9518   83.392   -291.5829  201.292  21.841     91.624   ?       ?       17.467  8.2479  0.000000       8.247888 
1 1 1 -20 41  12 o 19.457  9.0408  72.942     102.822  77.406     201.351  71.367     119.590  19.909  9.9584  19.483  9.2654  0.4259720      13.60205 
1 1 1 -20 41  13 o 20.807  9.4908  113.387    106.173  -60.2480   209.355  173.506    123.190  18.136  9.1968  22.716  10.308  -4.580042      13.81427 
1 1 1 -20 41  14 o 16.993  8.1586  18.784     97.557   28.112     185.149  15.199     114.784  18.527  9.3066  17.335  8.4471  1.191835       12.56844 
1 1 1 -20 42  1  o 16.736  8.1873  -27.2918   110.970  -46.1279   121.567  66.839     271.760  16.726  8.2579  20.213  10.273  -3.487068      13.18020 
1 1 1 -20 42  2  o 19.090  8.9029  59.032     101.186  46.361     106.222  183.237    332.556  18.710  8.8489  ?       ?       0.000000       8.848947 
1 1 1 -20 42  3  o 13.586  6.5258  -33.3553   62.577   -20.7517   81.128   -51.8685   98.325   15.452  7.4244  15.546  7.6264  -0.9407139E-01 10.64348 
1 1 1 -20 42  4  o 15.330  6.9885  12.046     57.472   61.808     85.112   -29.6612   77.919   19.053  8.6142  14.955  7.2074  4.098897       11.23173 
1 1 1 -20 42  5  o 10.885  5.4060  -89.6176   55.017   -244.7627  88.496   8.1225     70.241   ?       ?       15.944  7.4297  0.000000       7.429750 
1 1 1 -20 42  6  o 18.247  7.8185  54.304     61.831   -44.2932   95.358   125.829    81.218   15.563  7.6086  22.983  9.3282  -7.419724      12.03768 
1 1 1 -20 42  7  o 13.271  6.5334  -73.6545   74.263   78.367     236.050  -90.3542   78.236   20.137  10.164  13.168  6.5235  6.968594       12.07714 
1 1 1 -20 42  8  o 17.292  8.0387  29.748     81.455   30.169     247.578  29.697     86.257   19.577  9.9348  17.448  8.1645  2.128229       12.85920 
1 1 1 -20 42  9  o 12.428  6.1988  -108.4217  75.580   174.993    264.730  -133.5725  78.862   20.643  10.455  12.177  6.1112  8.465676       12.10969 
1 1 1 -20 42  10 o ?       ?       142.334    283.109  142.334    283.109  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 42  11 o 26.651  10.475  217.535    99.149   121.565    292.750  229.969    105.377  ?       ?       26.629  10.689  0.000000       10.68908 
1 1 1 -20 42  12 o 14.298  6.9710  -34.6307   78.511   19.391     258.365  -40.1265   82.407   ?       ?       14.374  7.0369  0.000000       7.036905 
1 1 1 -20 43  1  o 25.804  9.4486  159.301    77.280   213.906    106.401  98.334     112.429  26.390  10.689  20.332  9.4494  6.058453       14.26682 
1 1 1 -20 43  2  o 24.733  9.0929  140.282    71.675   195.623    94.613   65.746     109.803  26.526  10.287  19.162  9.0425  7.364336       13.69618 
1 1 1 -20 43  3  o 15.911  7.2992  18.262     64.002   29.422     82.422   1.3144     101.574  17.233  8.0365  16.922  8.1738  0.3110924      11.46281 
1 1 1 -20 43  4  o 21.366  8.5849  99.655     68.047   136.593    88.235   45.445     106.892  22.852  9.5419  18.365  8.7412  4.486389       12.94055 
1 1 1 -20 43  5  o 14.705  7.1014  -27.2217   76.577   80.220     236.420  -39.8150   80.941   19.662  9.9494  14.592  7.1065  5.070418       12.22672 
1 1 1 -20 43  6  o 21.123  9.2042  112.633    88.567   114.267    250.839  112.401    94.665   19.817  10.051  20.904  9.2951  -1.087908      13.68992 
1 1 1 -20 43  7  o 18.195  8.3549  57.519     84.130   86.352     250.108  53.841     89.336   19.371  9.8458  18.095  8.4142  1.276779       12.95139 
1 1 1 -20 43  8  o 15.956  7.5204  14.746     75.521   -301.3816  266.358  42.382     78.753   ?       ?       17.263  7.9831  0.000000       7.983094 
1 1 1 -20 43  9  o ?       ?       133.504    282.258  133.504    282.258  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -20 43  10 o 22.184  9.4747  150.462    90.274   -46.4957   264.477  176.434    96.041   ?       ?       23.228  9.8416  0.000000       9.841576 
1 1 1 -20 44  1  o 19.573  8.2765  79.964     67.707   76.378     92.709   84.063     99.114   19.109  8.7730  19.408  8.9682  -0.2993374     12.54567 
1 1 1 -20 44  2  o 21.440  9.5000  130.016    98.049   333.682    185.802  51.412     115.429  23.793  11.380  18.286  8.8032  5.507143       14.38739 
1 1 1 -20 44  3  o 17.943  8.4043  52.262     91.780   21.729     170.587  64.701     108.882  18.185  9.1066  18.534  8.8217  -0.3483791     12.67880 
1 1 1 -20 44  4  o 18.382  8.5686  65.847     93.555   44.377     173.219  74.690     111.163  18.386  9.2024  18.729  8.9145  -0.3435516     12.81218 
1 1 1 -20 44  5  o 15.781  7.7028  -11.8044   96.627   70.539     179.415  -45.4471   114.680  18.587  9.3124  15.676  7.7885  2.911547       12.14005 
1 1 1 -20 44  6  f 13.552  6.6594  -49.9506   75.966   113.297    243.029  -67.6282   79.973   ?       ?       13.360  6.6146  0.000000       6.614649 
1 1 1 -20 44  7  o 14.248  6.9175  -21.2643   75.102   -55.2909   265.641  -18.3083   78.296   ?       ?       14.517  7.0515  0.000000       7.051516 
1 1 1 -20 44  8  f 15.429  7.4046  11.720     80.183   105.128    252.399  1.2353     84.564   ?       ?       15.243  7.3865  0.000000       7.386524 
1 1 1 -20 45  1  o 20.611  9.2821  127.217    97.704   326.688    186.880  52.186     114.616  22.447  10.901  17.754  8.6024  4.692352       13.88668 
1 1 1 -20 45  2  o 22.921  9.8815  178.726    99.903   144.450    183.206  193.231    119.182  19.203  9.5892  22.127  10.078  -2.924194      13.91125 
1 1 1 -20 45  3  o 12.660  6.3306  -96.6059   81.123   50.028     152.928  -154.0242  95.696   17.652  8.8063  12.593  6.3680  5.058670       10.86748 
1 1 1 -20 45  4  o 16.715  7.8970  43.942     84.199   71.524     171.273  35.152     96.690   17.797  8.9413  16.608  8.0102  1.189590       12.00459 
1 1 1 -20 45  5  o 21.060  9.4229  158.420    98.911   347.231    185.229  83.106     116.986  21.503  10.532  17.827  8.6500  3.676252       13.62862 
1 1 1 -20 46  1  o 19.431  8.9309  123.326    96.441   206.583    175.646  87.395     115.390  19.229  9.5680  17.813  8.6308  1.416727       12.88551 
1 1 1 -20 46  2  o 16.243  7.8160  40.842     90.746   17.765     169.896  50.053     107.340  16.550  8.3811  16.652  8.1258  -0.1014004     11.67352 
1 1 1 -20 46  3  o 15.100  7.3716  9.8045     88.592   88.010     166.884  -20.8831   104.539  17.127  8.6326  14.816  7.3737  2.310700       11.35310 
1 1 1 -19 -50 28 o 12.666  6.2944  -47.5319   75.049   -91.0087   140.267  -30.0933   88.835   ?       ?       13.689  6.8102  0.000000       6.810209 
1 1 1 -19 -50 29 o 20.474  8.4762  127.872    68.776   278.679    157.553  92.369     76.445   19.513  9.5886  17.695  8.0642  1.817760       12.52890 
1 1 1 -19 -50 30 o 16.972  7.3158  66.058     54.741   -192.2911  153.635  103.626    58.586   ?       ?       19.770  7.9580  0.000000       7.957976 
1 1 1 -19 -50 31 o 14.426  6.5215  29.332     48.766   -43.8671   109.493  47.445     54.466   14.241  7.1540  15.710  7.0133  -1.468770      10.01829 
1 1 1 -19 -50 32 o 24.174  7.9536  136.988    54.023   216.969    117.901  115.734    60.779   20.610  9.6114  20.702  8.1805  -0.9168243E-01 12.62143 
1 1 1 -19 -50 33 o 15.642  6.8365  45.795     49.192   178.669    111.422  13.627     54.824   19.757  9.2556  13.818  6.4796  5.938292       11.29834 
1 1 1 -19 -50 34 o 11.901  5.6438  -9.0019    43.781   -26.5246   111.413  -5.8020    47.611   14.657  7.3426  12.394  5.8802  2.262537       9.406900 
1 1 1 -19 -50 35 o 14.552  6.5212  30.900     47.567   133.986    117.853  10.838     51.990   18.143  8.7736  13.541  6.3370  4.601562       10.82282 
1 1 1 -19 -50 36 o 12.225  5.8288  -9.8796    47.960   72.963     116.192  -26.8926   52.655   16.670  8.2000  11.899  5.7807  4.770260       10.03281 
1 1 1 -19 -50 37 o 21.072  7.7699  106.976    52.389   149.383    122.684  97.518     57.937   18.367  8.8995  19.446  7.8834  -1.078697      11.88901 
1 1 1 -19 -50 38 o 17.568  7.3498  71.228     52.493   -68.6297   132.246  97.385     57.191   14.493  7.3452  19.476  7.8545  -4.982464      10.75387 
1 1 1 -19 -50 39 o 13.683  6.2892  18.212     47.835   -14.1163   127.083  23.549     51.633   15.086  7.5948  14.168  6.5203  0.9183388      10.00974 
1 1 1 -19 -50 40 o 14.944  6.6820  37.316     49.649   111.927    119.302  21.687     54.602   17.344  8.4856  14.144  6.5774  3.200161       10.73626 
1 1 1 -19 -49 23 o 15.096  6.9639  33.956     59.390   151.780    119.067  -5.0665    68.523   18.698  8.9867  13.768  6.6659  4.930344       11.18908 
1 1 1 -19 -49 24 o 13.815  6.5673  5.1074     59.962   -30.7221   115.484  18.332     70.160   14.863  7.4504  14.787  7.0503  0.7597542E-01  10.25745 
1 1 1 -19 -49 25 o 22.831  8.8823  150.088    70.713   101.511    124.356  173.301    85.964   17.665  8.6472  22.406  9.3919  -4.740931      12.76644 
1 1 1 -19 -49 26 o 17.575  7.7632  71.405     64.978   195.399    111.151  7.0309     80.088   21.216  9.6902  14.879  7.2046  6.337152       12.07503 
1 1 1 -19 -49 27 o 16.631  7.4958  54.328     63.872   -52.4589   114.560  102.497    76.941   14.722  7.3850  19.098  8.4411  -4.376215      11.21565 
1 1 1 -19 -49 28 o 13.812  6.5046  4.9290     56.280   108.290    107.977  -33.6243   65.945   18.440  8.7792  12.951  6.3304  5.489296       10.82348 
1 1 1 -19 -49 29 o 14.495  6.8166  12.779     61.419   100.064    147.156  -5.6339    67.587   17.869  8.8687  14.048  6.7565  3.820511       11.14911 
1 1 1 -19 -49 30 o 14.390  6.7836  9.7542     61.496   95.280     140.490  -10.5167   68.396   17.884  8.8386  13.944  6.7281  3.940741       11.10804 
1 1 1 -19 -49 31 o 13.787  6.5920  -5.7119    62.246   145.184    140.928  -42.2846   69.380   18.953  9.2621  12.996  6.3814  5.956837       11.24763 
1 1 1 -19 -49 32 o 14.143  6.4175  18.375     47.747   69.733     110.909  6.6913     52.901   17.493  8.4723  13.781  6.4305  3.711681       10.63628 
1 1 1 -19 -49 33 o 12.179  5.7596  -11.5228   44.985   25.866     107.985  -19.3739   49.484   16.365  8.0208  12.237  5.8580  4.128050       9.932263 
1 1 1 -19 -49 34 o 12.235  5.7914  -11.8373   45.678   19.873     112.664  -18.0752   49.969   16.313  8.0341  12.345  5.9035  3.967977       9.969903 
1 1 1 -19 -49 35 o 15.309  6.7013  34.816     47.426   -78.5347   115.966  57.581     51.970   14.556  7.3186  17.155  7.2524  -2.598659      10.30340 
1 1 1 -19 -49 36 o 11.550  5.5214  -21.1558   43.623   -171.4136  112.831  5.2520     47.302   13.109  6.6581  13.315  6.1677  -0.2055588     9.075775 
1 1 1 -19 -49 37 o 18.255  7.3230  69.198     49.425   104.588    117.639  61.613     54.465   18.406  8.8673  17.417  7.3971  0.9892616      11.54752 
1 1 1 -19 -49 38 o 17.464  7.2963  61.670     51.631   92.755     125.567  55.345     56.640   17.985  8.7793  16.897  7.3618  1.087830       11.45741 
1 1 1 -19 -49 39 o 17.817  7.3579  66.088     51.642   55.009     122.999  68.459     56.901   17.096  8.4148  17.840  7.5678  -0.7438869     11.31731 
1 1 1 -19 -49 40 o 14.543  6.5525  24.493     48.759   -121.5193  122.599  51.927     53.143   14.080  7.1291  16.595  7.1805  -2.514727      10.11852 
1 1 1 -19 -49 41 o 14.029  6.4263  16.497     49.355   46.284     118.749  10.277     54.263   16.760  8.2531  13.964  6.5147  2.796178       10.51447 
1 1 1 -19 -49 42 o 23.744  8.1171  130.887    56.206   -25.5643   132.242  165.380    62.094   15.582  7.8318  26.391  8.5173  -10.80974      11.57070 
1 1 1 -19 -49 43 o 18.726  8.2646  95.156     73.490   34.036     122.229  129.761    91.971   16.357  8.1124  19.613  8.9023  -3.255531      12.04413 
1 1 1 -19 -49 44 f 14.224  6.8961  -3.4070    73.911   -2.2321    162.673  -3.7126    82.969   16.094  8.1552  14.572  7.1184  1.521180       10.82492 
1 1 1 -19 -49 45 o 14.642  6.9642  17.189     67.610   -222.6815  160.642  68.825     74.533   ?       ?       17.026  7.8350  0.000000       7.834964 
1 1 1 -19 -48 19 f 14.693  7.0861  7.5043     75.638   -77.1608   119.720  63.751     97.581   14.382  7.2567  16.886  8.1205  -2.503635      10.89050 
1 1 1 -19 -48 20 o 13.750  6.8167  -46.4771   85.995   -329.0729  276.256  -16.1554   90.491   ?       ?       14.678  7.2236  0.000000       7.223574 
1 1 1 -19 -48 21 f 16.455  7.7606  44.538     80.668   -206.8713  280.342  67.234     84.231   ?       ?       17.396  8.1162  0.000000       8.116170 
1 1 1 -19 -48 22 o 15.266  7.2285  18.099     71.288   -21.3391   209.440  23.267     75.814   ?       ?       15.624  7.4146  0.000000       7.414558 
1 1 1 -19 -48 23 o 13.604  6.5778  -20.2231   66.185   151.049    206.167  -39.9017   69.883   18.607  9.4034  13.208  6.4691  5.398218       11.41374 
1 1 1 -19 -48 24 f 11.183  5.5022  -56.8960   52.430   -19.7719   103.652  -69.6605   60.779   15.434  7.6210  11.635  5.7615  3.799141       9.553783 
1 1 1 -19 -48 25 o 21.366  8.5100  113.321    66.255   238.270    113.513  48.760     81.596   24.411  10.529  17.030  7.9598  7.381672       13.19884 
1 1 1 -19 -48 26 o 15.927  7.2007  34.604     59.465   5.4516     110.261  46.561     70.615   16.324  8.0218  16.839  7.7035  -0.5143852     11.12171 
1 1 1 -19 -48 27 o 12.360  5.8863  -18.7222   48.620   -72.0542   105.040  -4.1803    54.849   14.562  7.2700  13.613  6.4139  0.9486914      9.694854 
1 1 1 -19 -48 28 o 16.975  7.0413  50.884     47.595   25.674     113.154  56.303     52.462   16.962  8.2913  17.427  7.3226  -0.4655418     11.06195 
1 1 1 -19 -48 29 o 15.634  6.8176  34.321     48.674   -28.2323   110.076  49.525     54.268   15.697  7.7696  16.918  7.2883  -1.220831      10.65297 
1 1 1 -19 -48 30 o 13.389  6.4173  -19.1114   59.782   59.991     135.454  -38.2468   66.622   18.036  8.8687  13.225  6.4422  4.811380       10.96152 
1 1 1 -19 -48 31 o 21.218  8.6391  111.438    69.932   53.188     150.926  127.363    78.915   18.013  8.9474  21.703  9.0398  -3.689383      12.71907 
1 1 1 -19 -48 32 o 14.118  6.7182  -7.7655    63.062   181.272    144.371  -52.3382   70.104   20.822  9.9778  13.073  6.4184  7.748983       11.86389 
1 1 1 -19 -48 33 o 19.511  8.2322  86.090     66.747   96.272     155.963  83.806     73.852   18.814  9.3006  19.134  8.3694  -0.3207054     12.51194 
1 1 1 -19 -48 34 o 24.644  7.7627  122.525    51.819   55.104     116.497  139.155    57.858   17.878  8.6648  25.548  8.2192  -7.670292      11.94295 
1 1 1 -19 -48 35 o 14.082  6.3430  14.714     45.652   -64.6705   109.389  31.457     50.236   15.007  7.4803  15.530  6.8445  -0.5233765     10.13918 
1 1 1 -19 -48 36 o 17.170  7.1640  52.190     49.682   68.518     116.932  48.593     54.882   18.234  8.7982  16.912  7.3075  1.322170       11.43708 
1 1 1 -19 -48 37 o 22.177  7.9550  105.243    54.406   301.803    126.386  60.533     60.277   26.738  11.307  17.794  7.6734  8.943863       13.66495 
1 1 1 -19 -48 38 o 14.336  6.5050  15.172     49.060   -121.4772  115.137  45.487     54.230   14.268  7.1891  16.653  7.2295  -2.384298      10.19554 
1 1 1 -19 -48 39 o 14.870  6.7533  20.018     53.027   129.316    126.998  -3.0602    58.357   19.780  9.4458  13.979  6.5954  5.800613       11.52053 
1 1 1 -19 -48 40 f 13.017  6.1201  -7.7093    49.464   -111.4212  115.183  15.742     54.772   14.385  7.2403  14.697  6.7459  -0.3121853     9.895947 
1 1 1 -19 -48 41 o 16.820  7.0950  49.198     49.561   -114.5039  124.128  80.245     54.057   14.674  7.4020  19.505  7.7126  -4.831242      10.68988 
1 1 1 -19 -48 42 o 15.464  6.8022  32.604     49.392   111.703    118.203  15.871     54.366   19.222  9.1608  14.623  6.7154  4.598507       11.35854 
1 1 1 -19 -48 43 o 13.167  6.1458  -1.7473    48.380   3.0499     112.854  -2.8274    53.551   16.288  8.0256  13.531  6.3637  2.757416       10.24240 
1 1 1 -19 -48 44 o 16.975  7.8883  49.749     78.316   107.920    164.831  32.788     89.005   18.474  9.2047  16.489  7.8834  1.985647       12.11916 
1 1 1 -19 -48 45 o 17.337  7.9280  59.999     74.683   108.466    167.285  47.935     83.463   18.321  9.1509  16.858  7.9336  1.462299       12.11121 
1 1 1 -19 -48 46 o 15.416  7.2886  21.198     71.954   37.239     164.728  17.416     79.988   17.170  8.6442  15.533  7.4389  1.636771       11.40434 
1 1 1 -19 -48 47 o 17.409  7.3672  62.141     53.713   121.819    168.031  55.348     56.688   18.127  9.0715  16.854  7.3534  1.272680       11.67754 
1 1 1 -19 -47 16 o 12.523  6.0962  -33.3199   59.371   0.0000     0.0000   -33.3199   59.371   ?       ?       12.523  6.0962  0.000000       6.096180 
1 1 1 -19 -47 17 o 17.159  7.3447  56.802     54.459   146.207    121.037  34.108     60.980   19.760  9.3747  15.746  7.1862  4.014000       11.81211 
1 1 1 -19 -47 18 o 23.178  8.7333  135.010    66.892   91.858     132.216  149.855    77.549   18.379  8.9797  23.062  9.2001  -4.682793      12.85598 
1 1 1 -19 -47 19 o 20.282  8.3367  98.125     65.901   57.238     128.605  112.685    76.742   17.797  8.7286  20.657  8.7769  -2.860016      12.37834 
1 1 1 -19 -47 20 o 14.829  6.8954  12.176     59.992   -37.3973   121.999  27.987     68.898   15.914  7.9272  16.009  7.4256  -0.9554958E-01 10.86183 
1 1 1 -19 -47 21 o 12.233  5.9840  -50.5217   59.261   35.057     110.755  -84.8499   70.147   17.343  8.4157  12.228  6.0783  5.115058       10.38124 
1 1 1 -19 -47 22 o 11.779  5.7925  -61.1114   57.845   -94.8379   194.834  -57.8512   60.576   ?       ?       12.153  5.9665  0.000000       5.966469 
1 1 1 -19 -47 23 o 24.478  9.8914  178.089    90.891   390.275    207.080  127.459    101.155  23.307  11.355  20.839  9.4091  2.468243       14.74639 
1 1 1 -19 -47 24 o 19.290  8.8103  86.845     91.874   234.404    223.185  56.738     100.812  20.626  10.341  18.100  8.5782  2.525450       13.43603 
1 1 1 -19 -47 25 o 16.127  7.3097  30.343     61.734   136.074    202.834  19.549     64.808   19.692  9.8711  15.682  7.2483  4.010109       12.24651 
1 1 1 -19 -47 26 o 11.392  5.4648  -30.4772   43.569   -228.8808  109.259  7.0381     47.510   ?       ?       13.881  6.3382  0.000000       6.338210 
1 1 1 -19 -47 27 o 20.093  7.5360  78.862     49.697   150.066    109.343  60.323     55.793   21.781  9.8133  18.127  7.5801  3.654057       12.39992 
1 1 1 -19 -47 28 o 21.995  7.7234  96.524     51.034   320.260    107.675  31.702     57.957   32.840  11.235  16.118  7.2124  16.72112       13.35054 
1 1 1 -19 -47 29 o 16.443  7.0082  40.443     49.201   64.354     108.273  34.220     55.233   18.582  8.8309  16.186  7.1529  2.396828       11.36438 
1 1 1 -19 -47 30 o 15.743  6.7940  32.630     47.324   122.002    111.837  13.137     52.230   20.609  9.5242  14.662  6.6758  5.946089       11.63085 
1 1 1 -19 -47 31 o 23.673  8.6340  126.111    64.439   44.650     121.739  157.819    75.952   18.172  8.8192  25.167  9.3404  -6.994539      12.84603 
1 1 1 -19 -47 32 o 26.790  9.4113  174.878    75.782   -38.2330   161.237  235.303    85.856   17.316  8.6963  30.597  10.025  -13.28100      13.27115 
1 1 1 -19 -47 33 o 12.830  6.2523  -47.6106   62.929   12.878     156.031  -59.3612   68.771   17.998  8.9656  12.971  6.3661  5.027287       10.99587 
1 1 1 -19 -47 34 o 32.472  9.4815  238.170    79.366   106.122    174.189  272.764    89.158   19.619  9.7221  33.454  10.120  -13.83488      14.03349 
1 1 1 -19 -47 35 o 17.437  7.2964  51.370     51.748   67.752     123.167  47.858     57.025   18.818  9.0676  17.234  7.4476  1.584192       11.73408 
1 1 1 -19 -47 36 o 24.563  7.9232  120.383    53.739   48.287     127.476  135.964    59.263   18.356  8.9351  25.516  8.3273  -7.159529      12.21393 
1 1 1 -19 -47 37 o 15.031  6.7093  20.999     49.825   -45.2949   122.350  34.180     54.554   16.233  8.0620  16.185  7.1329  0.4831886E-01  10.76451 
1 1 1 -19 -47 38 o 21.498  7.8024  92.994     52.531   74.039     124.033  97.137     57.989   18.985  9.1362  21.460  8.1206  -2.475176      12.22353 
1 1 1 -19 -47 39 o 21.880  7.9835  98.806     55.104   106.386    126.025  97.014     61.271   19.879  9.4700  21.190  8.2613  -1.310350      12.56699 
1 1 1 -19 -47 40 o 14.409  6.5624  11.054     50.517   -11.7250   108.360  17.379     57.102   16.454  8.0582  15.226  6.9508  1.228719       10.64185 
1 1 1 -19 -47 41 o 15.237  6.8205  22.707     51.885   -168.7294  115.256  71.362     58.105   13.853  7.0035  19.029  7.8256  -5.175898      10.50181 
1 1 1 -19 -47 42 o 16.721  7.0850  44.010     49.782   17.631     118.182  49.701     54.889   17.365  8.4853  17.267  7.3817  0.9819603E-01  11.24681 
1 1 1 -19 -47 43 o 22.303  7.9455  102.974    54.188   115.683    113.709  99.239     61.637   20.171  9.4175  21.229  8.2833  -1.057600      12.54202 
1 1 1 -19 -47 44 o 12.664  5.9453  -11.2754   46.380   -11.2608   111.986  -11.2784   50.956   16.427  8.0748  13.119  6.1816  3.308077       10.16925 
1 1 1 -19 -47 45 o 14.058  6.7462  -17.9376   66.521   17.024     108.944  -38.7211   83.997   16.963  8.2576  14.493  7.0969  2.470257       10.88828 
1 1 1 -19 -47 46 o 20.800  8.9585  114.108    81.948   114.905    184.976  113.913    91.408   19.137  9.5682  20.372  9.0909  -1.235128      13.19830 
1 1 1 -19 -47 47 o 13.886  6.8190  -45.8374   79.261   234.969    192.834  -102.9226  86.945   20.605  10.214  13.048  6.5289  7.557242       12.12227 
1 1 1 -19 -47 48 o 22.037  8.3393  113.328    61.158   155.247    204.204  109.197    64.100   19.128  9.6293  21.352  8.4126  -2.223843      12.78653 
1 1 1 -19 -47 49 o 17.272  7.3174  56.514     53.089   58.733     134.597  56.106     57.773   17.657  8.7125  17.217  7.4681  0.4406528      11.47521 
1 1 1 -19 -46 14 o 18.135  7.9303  69.173     66.273   0.0000     0.0000   69.173     66.273   ?       ?       18.135  7.9303  0.000000       7.930327 
1 1 1 -19 -46 15 o 20.454  8.3511  97.882     65.576   0.0000     0.0000   97.882     65.576   ?       ?       20.454  8.3511  0.000000       8.351088 
1 1 1 -19 -46 16 o 17.786  7.5405  58.463     56.440   18.152     119.231  70.104     64.073   17.166  8.4164  18.579  7.9600  -1.413132      11.58434 
1 1 1 -19 -46 17 o 16.474  7.3832  36.932     60.997   -2.6746    121.938  50.150     70.443   16.910  8.3339  17.463  7.8714  -0.5535774     11.46358 
1 1 1 -19 -46 18 o 25.820  8.8409  150.738    66.679   238.860    131.728  120.380    77.316   24.230  10.855  21.924  9.0230  2.305204       14.11564 
1 1 1 -19 -46 19 f 16.064  7.3036  26.673     62.233   -69.7719   130.186  55.239     70.852   16.087  8.0407  17.942  8.0052  -1.854931      11.34616 
1 1 1 -19 -46 20 o 15.961  7.1040  29.397     55.427   -8.2984    115.172  40.759     63.231   16.875  8.2733  16.982  7.5708  -0.1073036     11.21451 
1 1 1 -19 -46 21 o 15.656  7.0071  24.730     54.738   141.143    113.144  -10.8420   62.544   21.638  9.8417  14.290  6.7678  7.348276       11.94413 
1 1 1 -19 -46 22 o 12.876  6.0965  -18.8936   50.684   -46.4501   105.539  -10.6330   57.784   15.723  7.7499  13.940  6.5728  1.782690       10.16180 
1 1 1 -19 -46 23 o 14.270  6.8462  -23.2133   68.420   -36.9399   106.946  -13.7021   89.023   16.024  7.8794  15.840  7.6513  0.1839304      10.98307 
1 1 1 -19 -46 24 f 13.853  6.8069  -61.9701   79.356   -67.2247   190.388  -60.8653   87.301   17.784  8.9918  14.425  7.0983  3.358335       11.45590 
1 1 1 -19 -46 25 o 15.874  7.1681  23.745     58.722   -387.4138  180.936  72.152     62.083   ?       ?       19.308  8.0281  0.000000       8.028052 
1 1 1 -19 -46 26 o 29.085  10.319  224.014    91.304   604.838    233.315  155.147    99.217   27.611  13.075  23.201  9.9217  4.409966       16.41339 
1 1 1 -19 -46 27 o 22.897  7.9225  103.876    53.605   -267.2224  208.381  130.173    55.471   ?       ?       25.786  8.0169  0.000000       8.016907 
1 1 1 -19 -46 28 o 18.795  7.4378  63.920     50.311   36.619     123.610  69.340     55.079   18.337  8.8964  19.209  7.7218  -0.8715553     11.78018 
1 1 1 -19 -46 29 o 42.530  6.0929  284.795    61.079   421.992    125.151  241.901    69.978   37.590  12.088  35.828  8.2238  1.762093       14.62002 
1 1 1 -19 -46 30 o 29.203  7.7675  158.288    55.998   129.245    119.056  166.538    63.455   21.174  9.8000  28.655  8.5085  -7.481049      12.97824 
1 1 1 -19 -46 31 o 23.673  7.6915  107.254    50.579   178.617    114.847  90.081     56.337   23.423  10.335  21.146  8.0035  2.276661       13.07145 
1 1 1 -19 -46 32 o 19.426  7.4160  69.564     48.633   70.050     109.258  69.444     54.310   19.160  9.0352  19.236  7.6905  -0.7512283E-01 11.86506 
1 1 1 -19 -46 33 o 16.845  7.6435  33.528     67.727   -44.9031   151.827  53.012     75.673   17.339  8.6691  18.110  8.1611  -0.7710934     11.90614 
1 1 1 -19 -46 34 o 23.739  9.0646  132.130    72.671   230.882    164.900  108.328    80.957   22.907  10.890  21.352  9.0406  1.555393       14.15340 
1 1 1 -19 -46 35 o 25.322  9.5041  158.334    79.072   268.822    169.398  127.554    89.410   23.757  11.217  22.187  9.4514  1.570883       14.66823 
1 1 1 -19 -46 36 f 26.628  8.3278  142.852    59.758   175.356    158.738  137.485    64.503   21.732  10.427  25.276  8.6937  -3.543764      13.57562 
1 1 1 -19 -46 37 o 18.752  7.5909  63.562     53.633   55.377     122.909  65.487     59.608   18.888  9.0909  18.861  7.8564  0.2766991E-01  12.01526 
1 1 1 -19 -46 38 o 21.774  8.0626  95.637     56.529   79.982     117.109  100.393    64.546   19.596  9.2750  21.663  8.4699  -2.066385      12.56044 
1 1 1 -19 -46 39 o 16.757  7.1916  39.977     52.461   105.689    114.618  22.562     59.004   20.505  9.5335  15.870  7.1738  4.634773       11.93107 
1 1 1 -19 -46 40 o 12.886  6.0778  -17.2897   49.492   -77.2691   107.092  -1.0003    55.810   15.240  7.5643  14.327  6.6582  0.9134426      10.07723 
1 1 1 -19 -46 41 o 13.223  6.2101  -13.0806   50.685   -50.9310   109.000  -2.6387    57.251   15.887  7.8394  14.357  6.6959  1.530832       10.30979 
1 1 1 -19 -46 42 o 17.162  7.2890  45.024     52.886   167.741    118.380  14.425     59.113   22.862  10.263  15.398  7.0458  7.464278       12.44903 
1 1 1 -19 -46 43 o 21.847  7.9540  95.063     54.653   -44.5780   120.982  130.867    61.260   16.480  8.1551  25.027  8.4745  -8.546093      11.76113 
1 1 1 -19 -46 44 o 17.788  7.3999  53.020     52.783   181.690    125.948  25.607     58.135   22.974  10.424  15.966  7.1779  7.007833       12.65626 
1 1 1 -19 -46 45 o 12.959  6.1089  -15.7823   49.878   94.524     129.231  -35.0900   54.067   19.871  9.5002  12.520  6.0267  7.351065       11.25051 
1 1 1 -19 -46 46 o 11.043  5.5193  -106.2734  61.303   -180.5046  117.299  -78.3798   71.904   13.931  7.0451  12.780  6.3174  1.150927       9.462740 
1 1 1 -19 -46 47 o 29.525  10.668  249.397    98.048   557.708    217.710  170.955    109.815  27.195  12.803  23.026  10.135  4.169180       16.32874 
1 1 1 -19 -46 48 o 14.266  6.8946  -27.6103   72.501   95.610     178.914  -51.8195   79.304   19.412  9.6584  13.984  6.8579  5.427280       11.84549 
1 1 1 -19 -46 49 o 19.867  7.9655  82.211     58.444   184.235    136.925  59.482     64.627   21.753  10.213  17.991  7.8503  3.762259       12.88164 
1 1 1 -19 -46 50 o 14.498  6.6619  11.320     53.608   184.825    129.572  -24.5130   58.884   21.784  10.131  13.187  6.3333  8.596309       11.94764 
1 1 1 -19 -46 51 o 15.685  6.9256  33.253     51.667   -88.4423   136.314  53.669     55.833   15.528  7.8234  17.265  7.4145  -1.736897      10.77872 
1 1 1 -19 -45 11 o 14.926  6.9812  10.813     62.945   0.0000     0.0000   10.813     62.945   ?       ?       14.926  6.9812  0.000000       6.981223 
1 1 1 -19 -45 12 f 17.743  7.6490  57.453     59.858   0.0000     0.0000   57.453     59.858   ?       ?       17.743  7.6490  0.000000       7.649001 
1 1 1 -19 -45 13 o 10.603  5.2745  -85.6500   53.217   0.0000     0.0000   -85.6500   53.217   ?       ?       10.603  5.2745  0.000000       5.274468 
1 1 1 -19 -45 14 o 17.769  7.5045  54.257     55.556   109.870    111.362  35.830     64.103   20.331  9.4340  16.704  7.5208  3.627401       12.06495 
1 1 1 -19 -45 15 o 19.777  7.9705  77.351     58.848   157.842    122.631  53.269     67.076   22.066  10.116  17.938  7.9072  4.128721       12.83950 
1 1 1 -19 -45 16 o 15.893  7.1635  23.810     58.336   -119.2632  120.390  67.712     66.689   15.104  7.5757  18.985  8.1270  -3.881507      11.11032 
1 1 1 -19 -45 17 o 13.139  6.3083  -32.0989   58.323   -106.6496  117.354  -7.6455    67.211   15.228  7.6148  14.903  7.0454  0.3250961      10.37410 
1 1 1 -19 -45 18 o 26.636  8.7715  149.842    65.699   267.372    124.253  104.232    77.405   27.650  11.415  21.450  8.9453  6.199568       14.50278 
1 1 1 -19 -45 19 o 26.916  8.2057  141.436    58.449   124.747    123.040  146.300    66.422   21.295  9.8933  26.191  8.8246  -4.895157      13.25706 
1 1 1 -19 -45 20 o 14.655  6.7037  6.7849     53.460   -22.8478   106.333  16.809     61.844   16.589  8.0935  15.811  7.2242  0.7773705      10.84871 
1 1 1 -19 -45 21 o 30.859  8.0708  177.773    61.120   459.555    121.239  81.760     70.770   42.923  11.435  20.141  8.4862  22.78123       14.24016 
1 1 1 -19 -45 22 o 21.518  8.1575  92.689     58.587   142.286    118.502  76.644     67.401   22.122  10.066  19.818  8.3121  2.304928       13.05425 
1 1 1 -19 -45 23 o 16.981  7.2457  41.355     52.701   127.015    112.168  17.088     59.701   21.639  9.8254  15.691  7.1415  5.947431       12.14659 
1 1 1 -19 -45 24 o 13.105  6.2732  -30.0985   56.727   12.876     107.293  -46.7722   66.832   17.579  8.4686  13.430  6.5215  4.148726       10.68862 
1 1 1 -19 -45 25 o 15.796  7.3978  5.7656     71.091   0.0000     0.0000   5.7656     71.091   ?       ?       15.796  7.3978  0.000000       7.397847 
1 1 1 -19 -45 26 o 24.691  9.6067  151.675    82.724   220.519    218.773  140.189    89.359   21.883  10.853  23.306  9.6561  -1.422676      14.52691 
1 1 1 -19 -45 27 o 17.543  7.9149  40.813     71.419   -38.1601   206.331  51.563     76.124   18.644  9.4210  18.242  8.2063  0.4014835      12.49396 
1 1 1 -19 -45 28 o 20.436  8.7363  88.404     76.878   104.776    192.885  85.311     83.824   20.367  10.116  20.137  8.8594  0.2307262      13.44731 
1 1 1 -19 -45 29 o 14.030  6.3494  6.7338     46.372   113.182    110.313  -16.1133   51.106   21.089  9.6404  13.174  6.2024  7.914310       11.46331 
1 1 1 -19 -45 30 f 10.892  5.2761  -43.5035   43.050   -9.0317    101.793  -51.0119   47.507   16.764  8.1187  11.188  5.4478  5.576330       9.777125 
1 1 1 -19 -45 31 o 10.694  5.1990  -47.3034   42.791   -91.3916   102.011  -37.8893   47.139   14.782  7.3447  11.688  5.6264  3.094391       9.252089 
1 1 1 -19 -45 32 o 10.593  5.1834  -56.0615   44.545   -24.5001   105.974  -62.8349   49.093   16.528  8.0675  10.959  5.3785  5.569638       9.696013 
1 1 1 -19 -45 33 o 17.244  7.1769  45.444     49.683   287.918    115.609  -9.4828    55.024   30.398  11.475  13.903  6.5105  16.49455       13.19301 
1 1 1 -19 -45 34 o 20.968  8.7338  94.363     73.661   -81.7092   159.106  142.399    83.104   17.252  8.6609  23.981  9.5373  -6.729259      12.88299 
1 1 1 -19 -45 35 o 21.587  8.8648  103.102    74.429   97.183     163.115  104.658    83.644   20.325  9.9396  21.342  9.1179  -1.017231      13.48819 
1 1 1 -19 -45 36 o 20.518  8.8263  89.679     79.351   -65.6687   164.625  136.696    90.567   17.629  8.8448  23.068  9.6527  -5.438259      13.09215 
1 1 1 -19 -45 37 o 14.141  6.7974  -30.6714   68.181   -64.7488   155.619  -22.5762   75.848   17.429  8.7232  15.006  7.2018  2.422472       11.31192 
1 1 1 -19 -45 38 o 23.693  7.9474  108.381    53.871   249.048    116.872  70.431     60.705   27.748  11.215  19.464  8.0010  8.283625       13.77650 
1 1 1 -19 -45 39 o 17.449  7.2627  47.085     50.882   -82.8403   109.349  82.990     57.484   15.402  7.6444  20.678  8.0185  -5.276344      11.07851 
1 1 1 -19 -45 40 o 14.968  6.7361  13.912     51.349   -45.5577   112.428  29.588     57.722   16.361  8.0516  16.399  7.2766  -0.3835869E-01 10.85251 
1 1 1 -19 -45 41 o 16.110  7.0132  30.055     51.315   -27.3376   111.160  45.598     57.848   16.753  8.1954  17.534  7.5392  -0.7811699     11.13573 
1 1 1 -19 -45 42 o 17.276  7.2873  44.094     52.283   -9.8431    115.717  57.929     58.606   17.375  8.4696  18.515  7.7575  -1.140062      11.48532 
1 1 1 -19 -45 43 o 21.082  8.0021  85.837     56.420   137.358    127.410  73.269     62.927   21.917  10.142  19.743  8.1343  2.174170       13.00087 
1 1 1 -19 -45 44 o 14.411  6.6118  2.8766     52.539   62.078     119.009  -11.4548   58.554   19.449  9.2474  14.181  6.6647  5.267933       11.39878 
1 1 1 -19 -45 45 o 17.301  7.3161  44.217     52.910   27.881     122.995  47.926     58.610   18.527  8.9602  17.743  7.6077  0.7835712      11.75424 
1 1 1 -19 -45 46 o 18.280  7.5317  55.884     53.950   52.697     128.197  56.570     59.472   19.225  9.2607  18.389  7.7652  0.8368988      12.08549 
1 1 1 -19 -45 47 o 18.388  8.1395  54.616     71.807   132.372    126.891  17.985     87.094   21.578  10.032  17.105  8.0663  4.472759       12.87274 
1 1 1 -19 -45 48 o 19.471  8.6373  73.469     81.279   191.519    187.444  46.133     90.200   21.849  10.679  18.256  8.4779  3.592739       13.63472 
1 1 1 -19 -45 49 o 22.835  9.7325  141.150    94.890   425.863    210.861  68.850     106.258  25.586  12.205  19.239  9.0212  6.346767       15.17729 
1 1 1 -19 -45 50 o 15.908  7.0833  27.315     55.175   -6.9706    123.341  35.892     61.692   17.290  8.4938  16.746  7.4707  0.5443230      11.31176 
1 1 1 -19 -45 51 o 10.873  5.3220  -55.1282   47.097   -117.6547  102.947  -38.5779   52.965   14.076  7.0524  12.212  5.8996  1.863756       9.194633 
1 1 1 -19 -45 52 o 18.149  8.7254  50.831     112.457  50.831     112.457  0.0000     0.0000   18.149  8.7254  ?       ?       0.000000       8.725418 
1 1 1 -19 -45 53 o 17.645  8.9279  -15.4455   190.065  -15.4455   190.065  0.0000     0.0000   17.645  8.9279  ?       ?       0.000000       8.927902 
1 1 1 -19 -44 9  o 22.883  9.8811  163.741    100.222  0.0000     0.0000   163.741    100.222  ?       ?       22.883  9.8811  0.000000       9.881091 
1 1 1 -19 -44 10 o 19.761  9.0636  91.289     98.622   0.0000     0.0000   91.289     98.622   ?       ?       19.761  9.0636  0.000000       9.063599 
1 1 1 -19 -44 11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -44 12 f 13.216  6.3592  -34.7581   60.046   0.0000     0.0000   -34.7581   60.046   ?       ?       13.216  6.3592  0.000000       6.359160 
1 1 1 -19 -44 13 o 18.752  7.6280  61.570     54.460   102.211    109.309  48.151     62.810   20.746  9.5253  17.805  7.7550  2.940956       12.28296 
1 1 1 -19 -44 14 o 23.785  8.2259  112.228    57.786   122.378    119.830  109.153    65.963   21.518  9.9142  22.729  8.6464  -1.211065      13.15489 
1 1 1 -19 -44 15 o 24.550  8.3481  120.058    59.448   74.018     121.145  134.662    68.228   19.939  9.4361  25.064  8.9171  -5.125458      12.98284 
1 1 1 -19 -44 16 o 37.040  8.0288  245.871    70.077   221.947    129.749  255.724    83.265   25.509  11.127  34.936  9.5496  -9.426786      14.66328 
1 1 1 -19 -44 17 o 12.920  6.2359  -42.8843   58.848   16.147     111.597  -65.6227   69.261   18.089  8.6954  13.168  6.4475  4.920696       10.82496 
1 1 1 -19 -44 18 f 18.701  7.6742  59.001     55.728   1.9525     118.596  75.167     63.132   17.910  8.6949  20.020  8.1863  -2.110023      11.94220 
1 1 1 -19 -44 19 o 20.826  7.9104  81.683     55.158   145.230    112.646  61.641     63.261   22.855  10.152  18.941  8.0041  3.913939       12.92777 
1 1 1 -19 -44 20 o 18.053  7.3547  52.551     50.720   145.166    105.424  24.658     57.855   23.121  10.059  16.186  7.2268  6.935738       12.38581 
1 1 1 -19 -44 21 o 13.667  6.3803  -10.6379   52.179   -130.6920  106.726  27.072     59.815   14.449  7.2307  16.446  7.3452  -1.996832      10.30702 
1 1 1 -19 -44 22 o 17.605  7.0027  48.838     44.809   0.5619     112.820  57.879     48.826   17.646  8.5460  18.552  7.3317  -0.9058533     11.25998 
1 1 1 -19 -44 23 o 14.746  6.4745  17.374     44.566   -14.2971   107.617  23.930     48.962   17.062  8.2829  15.579  6.8146  1.482100       10.72585 
1 1 1 -19 -44 24 o 12.621  5.8528  -10.5837   42.771   -75.4696   111.886  0.5207     46.286   15.811  7.8271  13.716  6.2601  2.095008       10.02266 
1 1 1 -19 -44 25 o 21.002  7.5548  80.444     49.103   148.536    116.631  65.774     54.134   22.844  10.226  19.289  7.6893  3.554449       12.79417 
1 1 1 -19 -44 26 o 25.491  9.0878  141.592    70.900   177.177    123.491  124.095    86.594   23.844  10.609  22.797  9.4803  1.047232       14.22735 
1 1 1 -19 -44 27 o 16.772  7.7080  21.498     71.821   230.292    180.049  -18.0114   78.321   23.469  11.219  15.473  7.3972  7.996085       13.43782 
1 1 1 -19 -44 28 o 18.053  7.9809  46.738     68.819   103.917    169.408  35.437     75.313   20.863  10.187  17.631  8.0231  3.232023       12.96704 
1 1 1 -19 -44 29 f 24.396  9.4819  139.690    80.524   396.046    169.255  64.691     91.548   29.548  12.800  19.432  8.8439  10.11607       15.55803 
1 1 1 -19 -44 30 o 10.838  5.2575  -46.6864   43.143   -198.0383  98.552   -10.8046   47.985   12.809  6.4761  13.238  6.1595  -0.4286814     8.937489 
1 1 1 -19 -44 31 o 22.151  7.7193  90.949     50.934   42.522     114.914  102.790    56.821   18.985  9.0437  22.997  8.1423  -4.011644      12.16902 
1 1 1 -19 -44 32 o 14.100  6.3403  7.2041     45.391   -64.2073   111.624  21.352     49.684   16.090  7.9380  15.473  6.8137  0.6167603      10.46134 
1 1 1 -19 -44 33 o 14.524  6.5501  8.6327     48.860   90.597     113.748  -9.9119    54.106   20.625  9.5576  13.926  6.4999  6.698807       11.55843 
1 1 1 -19 -44 34 o 12.905  6.0297  -14.3429   46.755   8.9506     106.813  -19.8639   52.002   17.762  8.5302  13.206  6.2293  4.555835       10.56260 
1 1 1 -19 -44 35 o 18.409  8.0982  51.567     70.022   94.615     114.541  25.879     88.481   20.779  9.6155  17.706  8.2800  3.073040       12.68917 
1 1 1 -19 -44 36 o 15.985  7.4398  6.4815     70.099   -190.9564  156.315  56.182     78.427   16.029  8.1085  18.845  8.4142  -2.816523      11.68531 
1 1 1 -19 -44 37 o 19.771  8.5700  72.357     75.969   92.290     166.160  67.090     85.419   20.683  10.097  19.517  8.7428  1.166636       13.35614 
1 1 1 -19 -44 38 o 15.392  7.2571  -7.3451    70.441   51.431     146.579  -24.9955   80.325   19.696  9.5860  15.387  7.3916  4.309343       12.10487 
1 1 1 -19 -44 39 o 16.881  7.2890  36.479     54.529   67.746     112.886  26.963     62.277   19.804  9.2901  16.620  7.4538  3.183676       11.91075 
1 1 1 -19 -44 40 o 16.123  6.9887  29.138     50.519   109.732    112.642  8.8456     56.522   21.409  9.7693  15.180  6.9242  6.229465       11.97428 
1 1 1 -19 -44 41 o 20.263  7.8152  75.141     54.379   147.677    121.491  56.968     60.811   22.800  10.301  18.629  7.8586  4.170906       12.95664 
1 1 1 -19 -44 42 o 15.298  6.7849  18.118     50.129   90.131     120.306  2.9884     55.144   20.657  9.6585  14.744  6.7681  5.913219       11.79381 
1 1 1 -19 -44 43 o 20.914  8.6300  87.405     70.959   43.681     126.828  107.329    85.613   19.304  9.2772  21.891  9.2845  -2.587408      13.12510 
1 1 1 -19 -44 44 o 17.715  7.2917  47.766     50.501   53.167     125.515  46.722     55.164   19.586  9.3634  17.752  7.4865  1.833872       11.98832 
1 1 1 -19 -44 45 o 24.108  8.2198  112.320    57.637   162.488    132.047  100.513    64.061   23.221  10.589  22.362  8.5175  0.8589840      13.58946 
1 1 1 -19 -44 46 o 13.872  6.4068  -5.2725    50.493   -83.1513   121.142  11.102     55.549   16.249  8.0615  15.291  6.9320  0.9575872      10.63203 
1 1 1 -19 -44 47 o 29.700  8.1439  162.971    60.445   94.665     137.451  179.347    67.302   20.880  9.9309  30.332  8.6954  -9.451302      13.19969 
1 1 1 -19 -44 48 o 18.498  8.2321  50.456     74.412   51.032     143.240  50.243     87.085   19.734  9.5748  18.779  8.5773  0.9551792      12.85486 
1 1 1 -19 -44 49 o 22.030  9.5425  115.130    94.056   0.0000     0.0000   115.130    94.056   ?       ?       22.030  9.5425  0.000000       9.542488 
1 1 1 -19 -44 50 o 17.363  7.9592  30.531     75.907   78.395     132.919  7.3679     92.468   20.135  9.6288  17.091  8.1333  3.044628       12.60416 
1 1 1 -19 -44 51 o 17.657  8.5196  9.2236     109.634  9.2236     109.634  0.0000     0.0000   17.657  8.5196  ?       ?       0.000000       8.519599 
1 1 1 -19 -44 52 o 20.160  9.4740  92.033     118.289  92.033     118.289  0.0000     0.0000   20.160  9.4740  ?       ?       0.000000       9.474002 
1 1 1 -19 -44 53 o 17.110  7.6399  40.008     64.668   123.920    111.219  -2.8498    79.485   21.160  9.6758  15.757  7.5102  5.403235       12.24845 
1 1 1 -19 -44 54 o 24.852  9.9226  174.881    90.279   88.649     211.434  194.108    99.838   19.410  9.7747  25.100  10.283  -5.690203      14.18719 
1 1 1 -19 -43 7  o 14.401  6.7849  -6.3736    61.376   0.0000     0.0000   -6.3736    61.376   ?       ?       14.401  6.7849  0.000000       6.784948 
1 1 1 -19 -43 8  o 13.664  6.5453  -27.5314   62.010   0.0000     0.0000   -27.5314   62.010   ?       ?       13.664  6.5453  0.000000       6.545299 
1 1 1 -19 -43 9  o 33.029  8.9666  220.023    73.705   0.0000     0.0000   220.023    73.705   ?       ?       33.029  8.9666  0.000000       8.966582 
1 1 1 -19 -43 10 o 23.560  10.231  156.462    108.649  0.0000     0.0000   156.462    108.649  ?       ?       23.560  10.231  0.000000       10.23058 
1 1 1 -19 -43 11 o 15.796  7.6908  -41.0838   94.595   0.0000     0.0000   -41.0838   94.595   ?       ?       15.796  7.6908  0.000000       7.690753 
1 1 1 -19 -43 12 o 24.017  9.4919  133.243    81.839   48.588     133.321  184.429    103.669  19.638  9.4558  25.908  10.530  -6.269524      14.15257 
1 1 1 -19 -43 13 o 17.355  7.9863  24.426     77.430   -50.1823   124.485  71.507     98.888   17.125  8.4363  20.055  9.1522  -2.929863      12.44726 
1 1 1 -19 -43 14 o 13.845  6.4914  -15.0831   55.002   -1.0114    115.088  -19.2485   62.616   17.975  8.6869  14.370  6.7957  3.604888       11.02924 
1 1 1 -19 -43 15 o 11.290  5.5572  -74.2577   53.671   -82.1344   106.141  -71.5519   62.210   15.567  7.6915  12.372  6.0684  3.195853       9.797224 
1 1 1 -19 -43 16 o 18.547  7.8719  53.944     61.617   61.627     117.682  51.042     72.323   19.884  9.3766  18.596  8.2034  1.287746       12.45856 
1 1 1 -19 -43 17 o 13.849  6.5299  -18.7886   57.031   -31.9338   115.670  -14.5667   65.553   17.167  8.3899  14.809  6.9878  2.358253       10.91876 
1 1 1 -19 -43 18 o 15.074  6.7973  10.946     52.593   -0.9188    107.176  14.709     60.360   17.644  8.4912  15.882  7.2101  1.761337       11.13939 
1 1 1 -19 -43 19 o 23.015  7.9738  99.419     54.310   101.825    112.930  98.695     61.943   21.308  9.7457  22.376  8.4093  -1.068417      12.87224 
1 1 1 -19 -43 20 o 22.898  8.0051  98.723     54.796   111.583    113.171  94.785     62.626   21.718  9.8644  21.969  8.4086  -0.2511845     12.96192 
1 1 1 -19 -43 21 o 32.863  6.6839  173.334    51.482   207.309    115.839  164.971    57.470   26.383  10.968  30.624  7.7326  -4.240875      13.41964 
1 1 1 -19 -43 22 o 16.644  6.9242  36.828     46.219   0.2825     106.370  45.334     51.316   17.683  8.4976  17.603  7.3074  0.7952499E-01  11.20749 
1 1 1 -19 -43 23 o 16.613  6.8646  37.032     44.986   62.029     110.110  32.024     49.287   19.841  9.2647  16.398  7.0023  3.442760       11.61321 
1 1 1 -19 -43 24 o 27.356  7.6112  131.783    52.366   205.256    117.579  113.604    58.487   26.241  10.991  24.306  8.2802  1.934519       13.76094 
1 1 1 -19 -43 25 o 13.330  6.0434  -0.3965    42.225   -130.2936  110.588  21.773     45.687   14.896  7.4404  15.342  6.6482  -0.4462547     9.977876 
1 1 1 -19 -43 26 o 18.279  7.2389  52.815     47.690   79.358     108.051  46.393     53.147   20.568  9.4535  17.804  7.4176  2.763992       12.01620 
1 1 1 -19 -43 27 o 29.997  9.0244  179.643    71.038   93.387     114.699  233.319    90.481   21.169  9.7334  31.951  10.278  -10.78256      14.15564 
1 1 1 -19 -43 28 o 22.705  9.1067  108.951    76.419   189.933    167.820  87.766     85.835   23.574  11.141  21.037  9.1142  2.537191       14.39431 
1 1 1 -19 -43 29 o 19.452  8.2621  63.294     67.956   44.705     152.234  67.920     75.942   20.091  9.7761  19.840  8.5843  0.2504826      13.01005 
1 1 1 -19 -43 30 o 27.474  9.5890  165.614    78.610   310.230    164.539  122.842    89.483   27.721  12.294  23.173  9.6370  4.548271       15.62065 
1 1 1 -19 -43 31 o 24.153  8.1867  110.006    57.170   222.399    158.355  93.161     61.305   24.920  11.450  22.069  8.3499  2.850513       14.17125 
1 1 1 -19 -43 32 o 29.868  7.5768  153.781    54.996   184.518    117.876  145.228    62.179   25.340  10.825  27.613  8.4718  -2.272608      13.74587 
1 1 1 -19 -43 33 o 26.141  8.1005  126.324    56.688   380.643    120.770  54.459     64.199   38.628  11.799  18.776  8.0040  19.85212       14.25800 
1 1 1 -19 -43 34 o 18.534  7.4168  54.589     50.563   42.572     105.985  58.130     57.533   19.215  9.0099  18.943  7.7882  0.2721653      11.90939 
1 1 1 -19 -43 35 o 21.837  7.9449  87.573     54.515   127.285    112.608  75.417     62.302   22.689  10.110  20.405  8.2091  2.283773       13.02303 
1 1 1 -19 -43 36 o 20.001  8.3361  70.940     67.168   -45.7397   109.236  141.874    85.172   16.672  8.1489  24.742  9.7136  -8.070843      12.67900 
1 1 1 -19 -43 37 o 24.340  9.4696  132.598    80.376   139.567    170.840  130.617    91.086   22.248  10.710  23.562  9.7545  -1.314077      14.48647 
1 1 1 -19 -43 38 o 24.506  9.4798  134.639    80.196   168.960    161.710  123.445    92.353   23.090  10.920  23.033  9.6988  0.5744553E-01  14.60504 
1 1 1 -19 -43 39 o 11.945  5.9440  -109.2260  67.823   33.229     157.210  -141.8030  75.179   19.860  9.7219  11.949  5.9926  7.911156       11.42046 
1 1 1 -19 -43 40 o 19.928  7.8577  69.718     55.963   15.310     125.658  83.180     62.503   18.809  9.0868  21.029  8.3003  -2.219910      12.30707 
1 1 1 -19 -43 41 o 19.173  7.7542  61.557     55.908   -4.9276    120.992  79.606     63.042   18.141  8.8012  20.695  8.2816  -2.554621      12.08494 
1 1 1 -19 -43 42 o 15.024  6.7929  8.7843     52.939   157.965    121.367  -26.2684   58.831   23.723  10.537  13.733  6.5213  9.989858       12.39219 
1 1 1 -19 -43 43 o 22.316  8.7231  100.360    68.451   107.888    127.815  97.333     81.055   21.622  10.058  21.664  9.1025  -0.4291725E-01 13.56507 
1 1 1 -19 -43 44 o 14.816  6.6443  10.129     49.476   -26.4238   123.004  17.185     54.041   17.702  8.6514  15.662  6.9895  2.039579       11.12204 
1 1 1 -19 -43 45 o 15.840  6.9793  21.609     52.201   96.351     124.043  5.5236     57.544   21.274  9.9001  15.227  6.9616  6.047284       12.10276 
1 1 1 -19 -43 46 o 12.489  5.9237  -27.9860   48.264   -28.8480   102.082  -27.7378   54.773   16.770  8.1237  13.264  6.2970  3.505492       10.27846 
1 1 1 -19 -43 47 o 16.546  7.1787  29.738     53.402   -103.9578  107.359  73.694     61.558   15.285  7.5843  20.297  8.1618  -5.011783      11.14165 
1 1 1 -19 -43 48 o 19.352  7.6530  62.727     53.233   32.251     107.027  72.744     61.361   18.907  8.9238  20.219  8.1423  -1.311661      12.08015 
1 1 1 -19 -43 49 o 11.353  5.6383  -98.7367   59.867   -259.2263  123.016  -48.9307   68.530   13.788  6.9980  13.815  6.6833  -0.2702713E-01 9.676682 
1 1 1 -19 -43 50 o 16.932  8.3317  -55.8998   120.300  -55.8998   120.300  0.0000     0.0000   16.932  8.3317  ?       ?       0.000000       8.331713 
1 1 1 -19 -43 51 f 21.466  10.270  109.844    151.545  109.844    151.545  0.0000     0.0000   21.466  10.270  ?       ?       0.000000       10.26965 
1 1 1 -19 -43 52 o 22.715  8.1714  99.575     57.446   -135.5565  116.271  175.507    66.074   15.036  7.5279  30.137  8.6080  -15.10083      11.43530 
1 1 1 -19 -43 53 o 29.579  8.2687  165.396    61.652   138.303    126.036  173.918    70.686   22.193  10.204  28.884  9.0612  -6.690937      13.64647 
1 1 1 -19 -43 54 o 16.783  7.7418  23.224     73.376   89.568     112.543  -25.8298   96.773   20.264  9.4300  16.130  7.8363  4.133520       12.26099 
1 1 1 -19 -43 55 o 16.390  7.7294  11.478     79.996   -132.2957  200.387  38.734     87.250   17.425  8.8522  17.755  8.2758  -0.3298225     12.11820 
1 1 1 -19 -42 5  o 15.185  6.6003  24.181     45.308   0.0000     0.0000   24.181     45.308   ?       ?       15.185  6.6003  0.000000       6.600336 
1 1 1 -19 -42 6  o 18.656  7.2585  59.321     47.226   0.0000     0.0000   59.321     47.226   ?       ?       18.656  7.2585  0.000000       7.258523 
1 1 1 -19 -42 7  o 14.159  6.4137  4.8042     47.449   0.0000     0.0000   4.8042     47.449   ?       ?       14.159  6.4137  0.000000       6.413721 
1 1 1 -19 -42 8  o 18.007  7.8589  44.915     64.798   0.0000     0.0000   44.915     64.798   ?       ?       18.007  7.8589  0.000000       7.858912 
1 1 1 -19 -42 9  o 27.290  9.0223  152.250    69.484   0.0000     0.0000   152.250    69.484   ?       ?       27.290  9.0223  0.000000       9.022255 
1 1 1 -19 -42 10 o 20.624  8.0090  76.308     57.410   30.454     126.825  88.126     64.385   19.375  9.3021  21.522  8.4466  -2.146971      12.56479 
1 1 1 -19 -42 11 o 23.159  9.4244  116.919    83.167   29.408     134.352  171.285    105.895  19.561  9.4365  25.507  10.535  -5.946245      14.14358 
1 1 1 -19 -42 12 o 28.116  10.092  183.023    87.574   196.144    142.176  175.002    111.165  24.862  11.197  25.422  10.670  -0.5606518     15.46619 
1 1 1 -19 -42 13 o 17.270  8.0008  16.058     79.632   -133.6969  130.997  103.832    100.289  16.071  8.0378  21.908  9.6624  -5.836792      12.56856 
1 1 1 -19 -42 14 o 19.408  8.6010  58.353     80.402   54.299     127.530  61.028     103.582  20.083  9.5557  19.942  9.1984  0.1410637      13.26361 
1 1 1 -19 -42 15 o 17.273  7.5725  34.141     60.765   -53.2616   130.054  58.550     68.728   17.487  8.6160  19.192  8.2338  -1.705645      11.91769 
1 1 1 -19 -42 16 o 17.322  7.5235  36.243     58.782   134.655    132.524  12.139     65.587   22.712  10.450  16.237  7.4268  6.474728       12.82036 
1 1 1 -19 -42 17 o 23.149  7.9239  98.020     53.563   76.455     112.517  104.339    60.907   20.654  9.5481  23.276  8.4086  -2.621536      12.72282 
1 1 1 -19 -42 18 o 20.830  7.5554  75.588     49.247   140.694    107.491  58.292     55.403   23.661  10.225  18.993  7.7059  4.667089       12.80363 
1 1 1 -19 -42 19 o 18.698  7.3540  55.708     48.902   65.223     106.119  53.143     55.102   20.203  9.3161  18.555  7.6246  1.648258       12.03845 
1 1 1 -19 -42 20 o 16.133  6.7160  31.342     43.520   22.371     107.953  33.083     47.556   18.719  8.8729  16.535  6.9610  2.183846       11.27756 
1 1 1 -19 -42 21 o 24.084  7.5450  101.256    49.029   170.210    112.865  85.217     54.433   25.187  10.670  21.749  7.9350  3.437988       13.29717 
1 1 1 -19 -42 22 o 18.006  7.0626  48.985     44.988   39.506     107.832  50.983     49.502   19.392  9.0915  18.310  7.3345  1.082813       11.68121 
1 1 1 -19 -42 23 o 22.936  7.5908  91.883     49.179   276.727    115.700  51.121     54.332   32.069  11.589  18.466  7.5776  13.60293       13.84614 
1 1 1 -19 -42 24 o 12.504  5.8453  -19.0837   44.032   40.780     107.946  -31.0327   48.227   19.528  9.1363  12.429  5.9029  7.098723       10.87729 
1 1 1 -19 -42 25 o 22.778  7.5786  90.046     48.998   150.423    111.244  75.514     54.577   24.465  10.485  20.846  7.8805  3.618755       13.11639 
1 1 1 -19 -42 26 o 19.231  7.3359  59.237     47.567   87.331     103.600  51.732     53.544   21.471  9.6225  18.573  7.5604  2.897934       12.23732 
1 1 1 -19 -42 27 o 23.937  7.5520  98.737     49.028   23.077     110.098  117.452    54.757   19.084  9.0207  25.694  7.9613  -6.609724      12.03145 
1 1 1 -19 -42 28 o 39.154  6.2745  232.361    57.597   234.028    120.696  231.869    65.541   28.899  11.494  37.633  7.4412  -8.734171      13.69212 
1 1 1 -19 -42 29 o 36.498  9.5296  258.684    85.304   557.364    169.522  157.410    98.712   41.851  14.098  25.703  10.336  16.14805       17.48062 
1 1 1 -19 -42 30 o 20.858  8.5339  76.288     68.660   -50.3719   148.951  110.463    77.370   18.634  9.1889  23.377  9.2324  -4.743706      13.02584 
1 1 1 -19 -42 31 o 13.236  6.3656  -46.0591   59.989   64.738     130.186  -75.9272   67.593   20.967  9.8798  13.018  6.3728  7.949773       11.75684 
1 1 1 -19 -42 32 o 32.975  7.6427  182.151    59.956   -17.8385   153.920  217.923    65.097   19.421  9.5302  36.194  7.6519  -16.77226      12.22195 
1 1 1 -19 -42 33 o 42.169  6.3456  270.121    62.916   374.970    122.551  232.596    73.315   39.176  11.868  36.188  8.4951  2.987278       14.59524 
1 1 1 -19 -42 34 o 24.061  7.9058  102.781    53.382   184.323    111.427  78.491     60.815   26.581  10.873  21.091  8.2283  5.489843       13.63554 
1 1 1 -19 -42 35 o 22.677  7.8898  91.165     53.198   173.193    108.095  64.947     61.112   26.070  10.692  19.873  8.0819  6.197592       13.40277 
1 1 1 -19 -42 36 o 20.477  7.7027  71.134     51.994   122.180    104.700  54.425     59.903   23.225  10.064  18.969  7.8864  4.256617       12.78597 
1 1 1 -19 -42 37 o 11.398  5.5285  -52.6897   47.653   -86.4420   110.022  -44.8959   52.869   16.040  7.9075  12.410  5.9705  3.629775       9.908354 
1 1 1 -19 -42 38 o 14.402  6.9294  -43.5920   71.263   64.148     158.639  -70.8293   79.764   21.096  10.196  14.269  6.9721  6.827427       12.35204 
1 1 1 -19 -42 39 o 28.905  9.9850  184.686    85.132   148.580    167.991  197.163    98.752   23.113  10.989  28.318  10.623  -5.205420      15.28363 
1 1 1 -19 -42 40 o 23.677  9.5078  120.999    83.406   114.341    177.842  122.876    94.436   22.192  10.743  23.368  9.8221  -1.175982      14.55654 
1 1 1 -19 -42 41 o 18.099  7.5026  47.218     53.985   90.946     127.195  37.610     59.622   21.486  10.007  17.578  7.6058  3.908312       12.56970 
1 1 1 -19 -42 42 o 13.444  6.2407  -12.5739   48.802   111.581    125.402  -34.7328   52.978   22.208  10.199  12.821  6.1165  9.386844       11.89207 
1 1 1 -19 -42 43 o 17.849  7.2632  46.311     49.394   -209.2994  120.711  97.718     54.134   14.413  7.2741  23.192  7.9651  -8.778896      10.78675 
1 1 1 -19 -42 44 f 26.622  7.8893  126.353    54.595   194.538    114.366  106.228    62.132   26.508  10.949  23.517  8.4931  2.991539       13.85660 
1 1 1 -19 -42 45 o 13.768  6.3256  -5.9959    48.313   -181.4313  185.175  6.8183     50.046   17.647  8.9180  14.759  6.6451  2.888452       11.12156 
1 1 1 -19 -42 46 o 25.205  8.3639  119.637    59.694   92.196     198.608  122.362    62.587   21.697  10.682  25.208  8.5657  -3.510094      13.69249 
1 1 1 -19 -42 47 o 23.791  8.1054  104.056    56.042   152.990    109.955  86.883     65.138   24.464  10.453  21.564  8.4854  2.899858       13.46344 
1 1 1 -19 -42 48 o 20.705  9.5540  71.309     111.903  71.309     111.903  0.0000     0.0000   20.705  9.5540  ?       ?       0.000000       9.553962 
1 1 1 -19 -42 49 o 29.709  11.663  255.592    122.781  255.592    122.781  0.0000     0.0000   29.709  11.663  ?       ?       0.000000       11.66290 
1 1 1 -19 -42 50 o 27.834  12.411  303.041    170.030  303.041    170.030  0.0000     0.0000   27.834  12.411  ?       ?       0.000000       12.41115 
1 1 1 -19 -42 51 o 16.155  7.4869  2.5810     69.827   -26.9779   130.253  14.502     82.718   18.237  8.9107  17.472  8.1154  0.7645283      12.05245 
1 1 1 -19 -42 52 o 16.671  7.0716  33.204     49.678   12.451     117.366  37.733     54.832   18.724  8.9787  17.306  7.3877  1.417542       11.62733 
1 1 1 -19 -42 53 o 23.581  8.2916  105.959    58.829   165.605    131.817  91.124     65.739   23.884  10.766  21.727  8.5325  2.157125       13.73751 
1 1 1 -19 -42 54 o 14.884  6.6839  10.604     50.249   -42.0941   125.998  20.570     54.795   17.398  8.5544  15.904  7.0716  1.494036       11.09888 
1 1 1 -19 -42 55 o 18.940  8.6795  53.039     90.166   28.779     205.070  58.853     100.391  19.929  9.9803  19.359  8.9736  0.5701923      13.42131 
1 1 1 -19 -42 56 o 19.181  8.6593  64.962     85.641   56.677     210.622  66.604     93.740   19.930  9.9997  19.327  8.8542  0.6029510      13.35626 
1 1 1 -19 -41 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -41 4  f 15.177  7.3122  -31.8639   80.024   0.0000     0.0000   -31.8639   80.024   ?       ?       15.177  7.3122  0.000000       7.312230 
1 1 1 -19 -41 5  o 17.923  8.2026  32.255     80.162   0.0000     0.0000   32.255     80.162   ?       ?       17.923  8.2026  0.000000       8.202566 
1 1 1 -19 -41 6  o 14.989  6.5942  15.401     46.434   0.0000     0.0000   15.401     46.434   ?       ?       14.989  6.5942  0.000000       6.594163 
1 1 1 -19 -41 7  o 25.576  7.8380  116.466    53.241   0.0000     0.0000   116.466    53.241   ?       ?       25.576  7.8380  0.000000       7.838012 
1 1 1 -19 -41 8  o 20.601  7.6293  72.560     50.618   0.0000     0.0000   72.560     50.618   ?       ?       20.601  7.6293  0.000000       7.629274 
1 1 1 -19 -41 9  o 17.196  7.0383  39.656     46.723   168.637    117.563  15.462     50.917   25.162  10.781  15.495  6.8567  9.667249       12.77689 
1 1 1 -19 -41 10 o 20.115  7.8885  68.340     56.118   128.261    116.050  50.052     64.113   23.224  10.311  18.721  7.9899  4.502876       13.04397 
1 1 1 -19 -41 11 o 14.177  6.4944  -3.7548    50.425   -53.2115   102.501  12.036     57.917   16.370  7.9779  15.825  7.1346  0.5455933      10.70283 
1 1 1 -19 -41 12 o 14.362  6.5420  -0.3210    50.233   -50.1916   106.925  13.804     56.904   16.689  8.1365  15.846  7.1145  0.8427496      10.80824 
1 1 1 -19 -41 13 o 10.532  5.3128  -157.3822  63.937   -156.4803  101.780  -157.9701  82.175   14.040  7.0311  12.401  6.2252  1.639335       9.390985 
1 1 1 -19 -41 14 o 39.676  9.2369  296.934    87.261   296.669    151.167  297.066    106.864  29.114  12.342  35.401  11.147  -6.287567      16.63064 
1 1 1 -19 -41 15 o 20.779  8.5799  77.019     70.204   79.285     126.278  76.005     84.459   21.209  9.9094  20.740  9.0131  0.4692135      13.39524 
1 1 1 -19 -41 16 o 20.202  8.2897  69.236     65.022   63.876     128.298  71.088     75.426   20.768  9.7927  20.400  8.6854  0.3682899      13.08942 
1 1 1 -19 -41 17 o 22.653  7.3501  87.044     46.195   50.493     104.396  95.943     51.513   19.913  9.2026  23.355  7.7706  -3.442093      12.04449 
1 1 1 -19 -41 18 o 10.475  5.0560  -43.2025   38.704   19.554     96.519   -55.2269   42.249   18.498  8.6496  10.515  5.1237  7.983228       10.05323 
1 1 1 -19 -41 19 o 19.765  7.2445  63.109     45.447   194.860    108.795  35.259     50.021   27.607  10.934  17.059  7.1582  10.54818       13.06838 
1 1 1 -19 -41 20 o 32.740  6.6781  166.907    51.253   208.738    110.945  155.558    57.789   28.480  11.113  30.195  7.8240  -1.715378      13.59093 
1 1 1 -19 -41 21 o 19.311  7.2840  58.557     46.563   194.563    108.568  27.901     51.544   27.853  10.957  16.617  7.1298  11.23633       13.07212 
1 1 1 -19 -41 22 o 28.817  7.2536  135.263    50.682   146.497    116.082  132.618    56.335   24.698  10.650  27.667  7.9624  -2.968706      13.29728 
1 1 1 -19 -41 23 o 14.818  6.4718  12.748     44.013   121.611    107.541  -9.1548    48.238   23.695  10.234  13.768  6.3237  9.926825       12.02989 
1 1 1 -19 -41 24 o 19.781  7.4502  61.742     48.671   -79.1741   140.059  81.096     51.905   18.088  8.9181  21.900  7.7791  -3.811565      11.83414 
1 1 1 -19 -41 25 o 14.253  6.3461  4.5599     44.273   -64.9823   98.265   22.272     49.592   16.155  7.8592  16.137  6.9595  0.1730728E-01  10.49772 
1 1 1 -19 -41 26 o 14.346  6.3643  5.8015     44.138   44.166     99.431   -3.6134    49.257   20.054  9.1615  14.283  6.4954  5.770148       11.23051 
1 1 1 -19 -41 27 o 11.590  5.5340  -38.0891   43.567   -200.6216  93.580   6.8863     49.227   12.874  6.4856  14.991  6.6819  -2.117909      9.311872 
1 1 1 -19 -41 28 o 32.348  7.0500  164.479    53.773   190.001    107.916  156.049    62.020   28.236  10.976  30.026  8.2559  -1.789974      13.73452 
1 1 1 -19 -41 29 o 29.498  7.5625  142.779    54.382   136.838    107.983  144.798    62.948   24.874  10.481  28.579  8.4718  -3.705463      13.47714 
1 1 1 -19 -41 30 o 26.933  9.4550  142.592    76.481   305.324    156.502  91.534     87.662   31.040  12.813  22.449  9.4508  8.591049       15.92133 
1 1 1 -19 -41 31 o 40.763  9.3649  301.840    90.679   374.471    170.373  273.134    107.109  33.158  13.491  34.962  11.176  -1.803661      17.51875 
1 1 1 -19 -41 32 o 30.568  9.5725  181.934    78.927   154.415    152.009  192.091    92.352   24.787  11.325  29.884  10.395  -5.097418      15.37310 
1 1 1 -19 -41 33 o 9.4784  4.7305  -96.7057   44.309   -308.9070  134.875  -71.0335   46.913   14.406  7.3132  10.715  5.2586  3.691545       9.007558 
1 1 1 -19 -41 34 o 10.386  5.1028  -70.0520   44.557   -260.5125  94.910   -16.2086   50.463   12.072  6.1287  13.684  6.3499  -1.612325      8.825151 
1 1 1 -19 -41 35 o 13.649  6.2976  -12.6763   48.605   -52.0613   99.457   -0.3187    55.710   16.624  8.0441  15.168  6.9017  1.455368       10.59908 
1 1 1 -19 -41 36 o 18.425  7.5155  46.864     53.046   7.9948     119.771  56.349     59.165   19.413  9.2437  19.451  7.9360  -0.3763390E-01 12.18298 
1 1 1 -19 -41 37 o 13.430  6.2459  -17.3756   49.254   -59.0619   107.888  -6.3995    55.360   16.895  8.2231  14.741  6.7720  2.154248       10.65265 
1 1 1 -19 -41 38 o 17.984  7.9737  30.951     69.181   25.736     114.047  33.987     87.019   19.674  9.2632  18.995  8.6362  0.6788101      12.66452 
1 1 1 -19 -41 39 o 27.833  10.013  166.741    86.262   113.984    180.901  182.267    98.138   22.967  11.048  27.992  10.571  -5.024809      15.29048 
1 1 1 -19 -41 40 o 32.723  9.9074  218.205    85.420   302.937    189.016  196.459    95.755   27.768  12.665  29.270  10.548  -1.501429      16.48196 
1 1 1 -19 -41 41 o 14.258  6.7672  -30.7699   63.200   -49.9258   155.473  -26.9780   69.172   19.008  9.3761  14.985  7.1029  4.022801       11.76273 
1 1 1 -19 -41 42 o 15.615  6.8134  18.402     48.676   -38.5952   99.555   36.308     55.800   16.776  8.1004  17.489  7.4587  -0.7123814     11.01136 
1 1 1 -19 -41 43 o 13.623  6.2743  -9.4892    47.929   -65.3680   95.363   9.3958     55.439   15.720  7.6684  15.555  6.9998  0.1646070      10.38277 
1 1 1 -19 -41 44 o 30.371  7.5752  154.854    55.636   212.782    112.110  135.925    64.084   28.449  11.152  26.851  8.6514  1.597443       14.11408 
1 1 1 -19 -41 45 o 13.192  6.1349  -15.7555   47.514   138.223    97.821   -63.3000   54.357   24.497  10.123  11.911  5.8059  12.58640       11.66937 
1 1 1 -19 -41 46 o 24.116  7.9035  103.121    53.363   174.309    107.290  79.722     61.511   26.258  10.697  21.204  8.2745  5.053635       13.52370 
1 1 1 -19 -41 47 o 20.834  9.5587  69.246     109.803  69.246     109.803  0.0000     0.0000   20.834  9.5587  ?       ?       0.000000       9.558725 
1 1 1 -19 -41 48 o 17.208  8.2789  -26.1492   101.690  -26.1492   101.690  0.0000     0.0000   17.208  8.2789  ?       ?       0.000000       8.278937 
1 1 1 -19 -41 49 o 18.200  8.0153  37.904     68.764   -112.1202  109.681  135.062    88.266   15.559  7.7111  24.803  9.8402  -9.243874      12.50161 
1 1 1 -19 -41 50 o 49.090  8.2162  409.975    94.406   175.436    146.930  574.878    123.202  24.782  11.250  55.792  9.4374  -31.00970      14.68423 
1 1 1 -19 -41 51 o 18.647  8.0178  46.422     65.433   -44.8432   161.147  64.440     71.601   19.197  9.4832  20.065  8.4994  -0.8688793     12.73463 
1 1 1 -19 -41 52 o 15.552  7.2004  -4.1331    64.352   158.206    160.707  -35.1339   70.228   23.848  11.154  14.703  7.0221  9.145020       13.18071 
1 1 1 -19 -41 53 o 14.932  6.7141  6.8466     50.888   -173.8390  123.341  43.913     55.864   15.228  7.6422  18.005  7.5604  -2.776905      10.75002 
1 1 1 -19 -41 54 o 20.786  7.9690  75.699     56.307   122.287    132.849  65.497     62.168   22.653  10.438  19.830  8.1177  2.823269       13.22291 
1 1 1 -19 -41 55 o 18.256  7.5360  49.876     54.140   -46.7870   131.010  69.784     59.454   17.722  8.7155  20.054  8.0363  -2.331829      11.85504 
1 1 1 -19 -41 56 o 14.879  7.1927  -42.1203   79.037   -42.6806   199.174  -42.0155   86.106   19.285  9.6829  15.386  7.4553  3.898892       12.22046 
1 1 1 -19 -41 57 o 12.637  6.3226  -130.7708  81.367   -60.3745   194.609  -145.6837  89.571   18.647  9.3890  13.018  6.5303  5.628917       11.43669 
1 1 1 -19 -40 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -40 2  o 17.963  7.1423  50.030     46.595   0.0000     0.0000   50.030     46.595   ?       ?       17.963  7.1423  0.000000       7.142278 
1 1 1 -19 -40 3  o 13.237  6.0479  -4.9134    43.348   0.0000     0.0000   -4.9134    43.348   ?       ?       13.237  6.0479  0.000000       6.047939 
1 1 1 -19 -40 4  o 37.300  6.9296  221.142    60.408   0.0000     0.0000   221.142    60.408   ?       ?       37.300  6.9296  0.000000       6.929626 
1 1 1 -19 -40 5  o 21.258  9.1138  82.327     84.094   0.0000     0.0000   82.327     84.094   ?       ?       21.258  9.1138  0.000000       9.113768 
1 1 1 -19 -40 6  o 17.917  8.3342  13.263     87.754   0.0000     0.0000   13.263     87.754   ?       ?       17.917  8.3342  0.000000       8.334186 
1 1 1 -19 -40 7  o 15.912  7.6069  -31.4538   82.822   0.0000     0.0000   -31.4538   82.822   ?       ?       15.912  7.6069  0.000000       7.606866 
1 1 1 -19 -40 8  o 17.896  7.2516  44.691     48.998   19.771     278.336  45.488     49.775   21.866  11.036  18.001  7.3037  3.865095       13.23434 
1 1 1 -19 -40 9  o 19.173  7.2482  57.852     46.173   171.781    115.843  36.334     50.344   25.778  10.859  17.183  7.1942  8.594650       13.02589 
1 1 1 -19 -40 10 o 13.229  5.9817  -2.5930    41.054   84.385     99.926   -20.2550   45.029   21.504  9.5562  12.635  5.9079  8.869124       11.23497 
1 1 1 -19 -40 11 o 16.737  7.0459  32.307     48.719   130.802    105.671  5.7192     54.902   23.884  10.227  15.288  6.9146  8.596112       12.34538 
1 1 1 -19 -40 12 o 11.548  5.5289  -38.7870   44.115   -121.6506  101.796  -19.6259   48.951   14.854  7.3729  13.181  6.1624  1.672281       9.609066 
1 1 1 -19 -40 13 o 18.047  7.2299  46.562     48.106   -154.2632  107.279  97.107     53.820   14.618  7.3056  23.469  7.9433  -8.850330      10.79203 
1 1 1 -19 -40 14 o 15.570  6.9719  10.368     54.261   27.938     122.451  6.0749     60.529   19.854  9.4222  15.845  7.2036  4.008436       11.86046 
1 1 1 -19 -40 15 o 15.331  6.9265  5.1910     54.920   -103.7257  123.669  31.947     61.295   16.688  8.2557  17.559  7.6541  -0.8711967     11.25795 
1 1 1 -19 -40 16 o 13.173  6.2378  -31.2281   53.098   -85.1925   115.519  -16.7726   59.788   16.673  8.1967  14.622  6.8275  2.050756       10.66778 
1 1 1 -19 -40 17 o 50.114  7.1484  393.384    84.459   416.508    167.748  385.532    97.754   35.173  13.681  46.829  8.9290  -11.65546      16.33735 
1 1 1 -19 -40 18 o 27.003  7.2869  118.535    48.851   198.538    111.543  99.549     54.339   28.453  11.132  24.012  7.9806  4.440493       13.69688 
1 1 1 -19 -40 19 f 22.775  7.3173  84.603     45.869   -16.3034   105.083  108.356    50.983   18.134  8.6411  25.473  7.6410  -7.339184      11.53485 
1 1 1 -19 -40 20 o 23.687  7.4044  91.774     47.247   4.8044     109.308  111.756    52.394   19.117  9.0217  25.839  7.7450  -6.721437      11.89015 
1 1 1 -19 -40 21 o 38.974  6.2911  224.552    57.466   334.003    125.593  195.570    64.628   37.421  12.117  34.543  7.8846  2.878204       14.45645 
1 1 1 -19 -40 22 o 40.320  7.7308  260.241    72.881   257.082    176.162  260.894    80.053   28.412  12.654  39.110  8.6639  -10.69872      15.33539 
1 1 1 -19 -40 23 o 27.315  7.4545  120.385    50.786   188.780    108.564  101.226    57.460   28.756  11.056  24.335  8.2077  4.421234       13.76928 
1 1 1 -19 -40 24 o 25.046  7.5136  101.841    49.295   16.411     103.087  127.167    56.128   19.504  9.0592  27.628  7.9467  -8.124491      12.05072 
1 1 1 -19 -40 25 o 11.390  5.4524  -41.9272   42.856   -115.0174  133.132  -33.4775   45.266   17.545  8.6583  12.185  5.7669  5.359771       10.40309 
1 1 1 -19 -40 26 f 18.004  7.1411  42.231     46.477   111.314    96.494   21.362     53.035   24.229  10.036  16.630  7.1846  7.598776       12.34261 
1 1 1 -19 -40 27 o 18.320  7.1225  45.584     45.447   3.8451     99.396   56.617     51.102   18.931  8.8271  19.675  7.5795  -0.7437248     11.63473 
1 1 1 -19 -40 28 f 19.132  7.3429  52.214     47.840   225.944    100.222  0.9480     54.443   32.911  10.833  15.372  6.9251  17.53863       12.85776 
1 1 1 -19 -40 29 o 14.390  6.4127  1.7184     45.323   -89.3484   98.770   26.009     51.011   15.924  7.7760  16.855  7.1587  -0.9315453     10.56947 
1 1 1 -19 -40 30 o 10.641  5.1720  -56.9011   42.304   -171.8775  93.039   -26.9353   47.498   13.557  6.7792  12.881  6.0373  0.6755981      9.077845 
1 1 1 -19 -40 31 o 15.910  7.2571  -3.0540    62.086   -130.0177  137.209  29.635     69.621   17.558  8.6876  18.443  8.0950  -0.8853207     11.87447 
1 1 1 -19 -40 32 o 17.200  7.6565  15.675     64.411   -44.9086   132.229  34.522     73.752   19.135  9.2633  18.976  8.3303  0.1587048      12.45809 
1 1 1 -19 -40 33 o 19.780  8.3440  50.746     68.548   -43.6911   144.275  78.279     77.903   19.678  9.5616  22.015  9.0583  -2.337135      13.17108 
1 1 1 -19 -40 34 o 17.216  7.3554  27.570     54.436   -174.6674  137.244  65.326     59.300   16.712  8.3384  20.668  8.1080  -3.955675      11.63046 
1 1 1 -19 -40 35 o 30.947  7.5968  153.742    56.623   202.384    111.434  136.811    65.744   29.688  11.251  27.805  8.7413  1.883375       14.24797 
1 1 1 -19 -40 36 o 17.342  7.2431  32.848     50.857   168.467    115.752  0.4052     56.615   27.095  11.083  15.499  7.0147  11.59575       13.11600 
1 1 1 -19 -40 37 f 12.500  5.9301  -35.7248   48.421   65.335     108.714  -60.7351   54.082   21.669  9.7717  12.190  5.9071  9.478588       11.41841 
1 1 1 -19 -40 38 o 41.039  6.7241  254.157    64.636   185.378    132.976  275.435    73.962   27.079  11.531  41.663  7.5961  -14.58443      13.80792 
1 1 1 -19 -40 39 o 18.928  8.2208  40.637     70.181   264.625    172.214  -3.9706    76.852   28.647  12.647  16.925  7.8478  11.72162       14.88382 
1 1 1 -19 -40 40 o 19.307  8.1039  50.596     64.142   -41.0989   159.562  68.269     70.051   19.860  9.7372  20.805  8.5785  -0.9442749     12.97701 
1 1 1 -19 -40 41 o 20.783  8.6397  68.491     71.880   107.532    164.617  59.294     79.899   23.314  11.023  20.339  8.8025  2.975163       14.10642 
1 1 1 -19 -40 42 o 31.275  7.3795  157.938    55.096   21.518     109.690  203.969    63.717   19.548  9.1661  35.393  7.6432  -15.84459      11.93464 
1 1 1 -19 -40 43 o 13.113  6.1136  -19.6931   47.657   15.624     97.327   -30.8315   54.658   18.747  8.7390  13.414  6.3451  5.332805       10.79959 
1 1 1 -19 -40 44 o 13.926  6.3346  -4.2932    46.887   39.009     95.513   -18.0415   53.818   19.588  8.9605  13.933  6.4963  5.654879       11.06768 
1 1 1 -19 -40 45 o 15.150  6.7027  11.060     48.630   0.9789     99.453   14.228     55.749   18.205  8.5956  16.010  7.1252  2.195196       11.16476 
1 1 1 -19 -40 46 o 24.158  10.374  132.201    109.284  132.201    109.284  0.0000     0.0000   24.158  10.374  ?       ?       0.000000       10.37400 
1 1 1 -19 -40 47 o 14.926  7.3898  -115.4552  99.839   -115.4552  99.839   0.0000     0.0000   14.926  7.3898  ?       ?       0.000000       7.389834 
1 1 1 -19 -40 48 o 18.236  7.6944  43.237     58.312   40.647     180.916  43.538     61.599   21.417  10.472  18.402  7.8422  3.015093       13.08318 
1 1 1 -19 -40 49 o 10.907  5.3975  -89.9530   53.026   -171.8258  112.785  -66.7203   60.080   14.755  7.3912  12.561  6.1185  2.194424       9.595138 
1 1 1 -19 -40 50 o 25.662  8.1419  116.652    56.926   209.245    127.338  93.526     63.639   27.567  11.483  22.701  8.5252  4.865273       14.30152 
1 1 1 -19 -40 51 o 15.581  7.1592  -2.2218    61.913   -26.0229   154.119  2.3584     67.608   19.627  9.6117  16.295  7.4852  3.331963       12.18247 
1 1 1 -19 -40 52 o 16.271  7.3455  10.518     61.620   -98.1725   158.476  29.877     66.882   18.446  9.1634  17.800  7.8686  0.6458187      12.07825 
1 1 1 -19 -40 53 o 12.713  6.0775  -40.4384   52.859   155.879    157.150  -65.4826   56.129   24.292  11.249  12.131  5.9103  12.16060       12.70696 
1 1 1 -19 -40 54 o 13.201  6.1602  -18.9887   48.564   -19.3752   122.541  -18.9167   52.895   18.535  8.9589  13.724  6.4126  4.810663       11.01740 
1 1 1 -19 -40 55 o 20.594  7.9776  71.984     56.853   60.673     133.129  74.507     62.875   20.953  9.9086  20.781  8.2859  0.1720333      12.91651 
1 1 1 -19 -40 56 o 23.082  9.9139  118.981    99.841   0.0000     0.0000   118.981    99.841   ?       ?       23.082  9.9139  0.000000       9.913883 
1 1 1 -19 -40 57 o 22.933  9.8983  122.706    100.476  0.0000     0.0000   122.706    100.476  ?       ?       22.933  9.8983  0.000000       9.898282 
1 1 1 -19 -39 1  o 17.804  7.0324  46.583     44.899   0.0000     0.0000   46.583     44.899   ?       ?       17.804  7.0324  0.000000       7.032430 
1 1 1 -19 -39 2  o 26.149  7.6545  117.294    51.668   0.0000     0.0000   117.294    51.668   ?       ?       26.149  7.6545  0.000000       7.654520 
1 1 1 -19 -39 3  o 14.506  6.3963  9.3815     43.924   0.0000     0.0000   9.3815     43.924   ?       ?       14.506  6.3963  0.000000       6.396297 
1 1 1 -19 -39 4  o 15.305  6.6278  17.142     45.350   0.0000     0.0000   17.142     45.350   ?       ?       15.305  6.6278  0.000000       6.627802 
1 1 1 -19 -39 5  o 8.8197  4.3997  -84.5704   38.147   0.0000     0.0000   -84.5704   38.147   ?       ?       8.8197  4.3997  0.000000       4.399716 
1 1 1 -19 -39 6  o 17.117  8.0391  -7.0257    84.944   0.0000     0.0000   -7.0257    84.944   ?       ?       17.117  8.0391  0.000000       8.039078 
1 1 1 -19 -39 7  o 22.139  9.0936  90.060     78.342   -75.7297   230.081  111.803    83.321   20.619  10.360  23.638  9.4991  -3.018974      14.05532 
1 1 1 -19 -39 8  o 16.246  7.6137  -11.4322   75.512   371.850    266.865  -44.7909   78.729   26.807  13.021  15.217  7.3121  11.59005       14.93352 
1 1 1 -19 -39 9  o 20.487  7.5365  68.496     49.248   257.212    223.739  58.887     50.486   25.707  12.346  19.449  7.5222  6.257366       14.45670 
1 1 1 -19 -39 10 o 16.126  6.6348  29.580     41.789   94.710     101.496  16.285     45.856   22.355  9.7941  15.291  6.6433  7.064006       11.83460 
1 1 1 -19 -39 11 o 29.574  7.1985  140.803    51.169   256.921    120.197  115.101    56.549   31.406  11.732  25.596  8.1142  5.809952       14.26427 
1 1 1 -19 -39 12 o 12.726  5.8869  -15.4094   42.877   82.346     108.826  -33.3721   46.650   21.921  9.8406  12.260  5.8175  9.661187       11.43156 
1 1 1 -19 -39 13 o 36.717  6.6199  205.005    56.807   330.964    121.575  169.822    64.253   37.259  11.907  31.326  8.3149  5.932978       14.52265 
1 1 1 -19 -39 14 f 41.060  6.3380  250.675    61.111   342.024    146.699  231.494    67.222   34.387  12.938  38.009  7.5551  -3.621681      14.98214 
1 1 1 -19 -39 15 o 25.269  8.2454  110.899    58.103   100.583    106.263  115.299    69.396   23.153  10.085  24.983  8.9819  -1.830610      13.50523 
1 1 1 -19 -39 16 o 13.403  6.3378  -33.2970   54.446   -60.6427   123.763  -26.7349   60.627   18.104  8.8106  14.437  6.7839  3.667245       11.11967 
1 1 1 -19 -39 17 o 16.061  7.2035  6.9901     58.175   216.725    133.922  -41.7917   64.587   28.981  11.895  14.249  6.7856  14.73172       13.69443 
1 1 1 -19 -39 18 o 84.793  6.2798  1043.58    128.283  848.089    227.112  1135.18    155.458  52.091  16.226  85.344  7.5862  -33.25298      17.91168 
1 1 1 -19 -39 19 o 14.564  6.3511  8.6642     42.240   -114.3251  120.919  25.758     45.080   16.932  8.3359  16.352  6.8236  0.5795383      10.77257 
1 1 1 -19 -39 20 o 19.623  7.3357  56.171     47.016   110.246    108.766  43.745     52.138   24.349  10.400  18.549  7.4929  5.800470       12.81794 
1 1 1 -19 -39 21 o 33.505  6.7288  167.768    52.803   202.537    117.195  158.912    59.147   29.911  11.490  31.533  7.7786  -1.622198      13.87525 
1 1 1 -19 -39 22 o 21.440  7.4423  70.845     47.321   44.696     101.197  78.164     53.535   21.039  9.4634  22.219  7.8994  -1.179844      12.32706 
1 1 1 -19 -39 23 o 24.694  7.3563  95.627     47.374   23.916     102.262  115.223    53.457   20.219  9.2575  26.780  7.7706  -6.561028      12.08651 
1 1 1 -19 -39 24 o 40.102  6.4457  233.752    60.594   289.195    157.201  224.078    65.668   32.753  13.088  38.355  7.3233  -5.601841      14.99750 
1 1 1 -19 -39 25 o 29.555  7.2563  134.477    51.654   116.314    105.082  140.264    59.315   25.139  10.448  29.420  8.0675  -4.281218      13.20015 
1 1 1 -19 -39 26 o 29.129  7.2084  130.204    50.673   180.164    101.230  113.500    58.534   29.821  10.830  26.268  8.2464  3.552456       13.61221 
1 1 1 -19 -39 27 o 34.806  6.7461  179.075    54.916   245.843    105.490  154.255    64.318   35.015  11.081  30.605  8.4043  4.409977       13.90739 
1 1 1 -19 -39 28 o 31.926  7.1497  154.650    54.008   146.457    106.314  157.500    62.702   27.162  10.792  31.196  8.1822  -4.033907      13.54314 
1 1 1 -19 -39 29 o 17.694  7.1495  35.792     47.480   75.550     97.259   23.352     54.402   22.765  9.7816  17.173  7.3455  5.592062       12.23262 
1 1 1 -19 -39 30 o 39.045  6.4276  220.676    58.775   239.199    108.998  213.082    69.791   34.076  11.302  36.675  8.0623  -2.599274      13.88273 
1 1 1 -19 -39 31 o 21.737  7.7444  72.467     51.481   108.847    103.696  60.568     59.305   24.786  10.346  20.627  8.1031  4.158312       13.14186 
1 1 1 -19 -39 32 f 32.569  9.4299  187.026    78.799   57.767     154.294  232.636    91.654   23.355  10.926  35.568  10.131  -12.21309      14.89985 
1 1 1 -19 -39 33 f 20.758  8.5453  58.440     69.371   52.463     135.979  60.543     80.656   22.694  10.493  21.312  9.0238  1.381760       13.83942 
1 1 1 -19 -39 34 f 33.481  9.6214  200.757    82.310   223.962    159.613  192.351    96.069   29.437  12.586  31.170  10.612  -1.733311      16.46313 
1 1 1 -19 -39 35 o 18.146  7.5531  35.703     55.037   -137.9263  136.380  69.481     60.152   17.645  8.7181  21.391  8.2281  -3.745962      11.98777 
1 1 1 -19 -39 36 o 16.406  7.1201  16.678     52.566   123.043    114.672  -11.6194   59.147   25.295  10.738  15.273  7.0102  10.02212       12.82334 
1 1 1 -19 -39 37 o 30.514  7.7597  148.718    57.584   127.378    119.377  155.189    65.737   25.396  10.872  30.306  8.5617  -4.910166      13.83866 
1 1 1 -19 -39 38 o 25.442  7.6274  104.013    50.812   14.598     102.892  132.851    58.434   19.727  9.1234  28.379  8.0913  -8.651924      12.19444 
1 1 1 -19 -39 39 o 11.572  5.5182  -39.5920   43.016   -113.8179  93.171   -19.4841   48.494   14.888  7.3274  13.462  6.2391  1.426358       9.623800 
1 1 1 -19 -39 40 o 25.714  9.4109  122.427    76.651   146.191    181.799  117.289    84.532   25.371  11.866  24.985  9.7139  0.3855515      15.33476 
1 1 1 -19 -39 41 o 28.594  9.6271  155.848    79.051   357.805    175.025  104.092    88.603   33.389  13.639  23.816  9.7136  9.572462       16.74448 
1 1 1 -19 -39 42 o 30.372  9.7081  177.004    80.818   142.142    178.095  186.045    90.694   24.890  11.674  30.146  10.311  -5.255335      15.57536 
1 1 1 -19 -39 43 o 14.720  6.5681  3.7024     47.708   17.625     99.950   -0.4056    54.291   19.292  8.9469  15.164  6.8657  4.128185       11.27762 
1 1 1 -19 -39 44 o 37.438  8.7778  243.398    78.353   171.981    117.000  301.472    105.506  26.876  11.085  38.167  10.869  -11.29095      15.52441 
1 1 1 -19 -39 45 o 50.769  12.151  565.384    147.694  565.384    147.694  0.0000     0.0000   50.769  12.151  ?       ?       0.000000       12.15133 
1 1 1 -19 -39 46 o 17.108  8.3462  -68.6089   113.033  -68.6089   113.033  0.0000     0.0000   17.108  8.3462  ?       ?       0.000000       8.346162 
1 1 1 -19 -39 47 o 30.271  8.2072  157.871    61.797   59.555     124.855  189.771    71.119   21.360  9.9375  32.543  8.7967  -11.18278      13.27161 
1 1 1 -19 -39 48 o 20.284  7.2881  65.350     45.684   62.635     123.826  65.777     49.152   21.413  9.9403  20.302  7.5181  1.111362       12.46318 
1 1 1 -19 -39 49 o 27.100  8.1892  128.330    58.403   119.170    125.122  130.881    66.038   23.619  10.581  26.593  8.7959  -2.974163      13.75932 
1 1 1 -19 -39 50 o 16.496  7.0397  26.194     49.763   -139.0066  123.618  58.142     54.362   16.176  8.0453  19.551  7.7332  -3.375055      11.15931 
1 1 1 -19 -39 51 o 14.027  6.3989  -6.1253    48.284   -46.7961   117.309  2.1703     52.980   17.852  8.6624  15.069  6.8060  2.783689       11.01628 
1 1 1 -19 -39 52 o 19.854  8.3725  56.699     68.983   45.929     162.087  59.081     76.231   21.705  10.445  20.220  8.6731  1.485531       13.57644 
1 1 1 -19 -39 53 o 14.731  6.7478  -6.1666    54.416   -328.6703  152.606  40.812     58.244   15.240  7.7407  18.239  7.6924  -2.998435      10.91292 
1 1 1 -19 -39 54 o 18.509  7.4931  47.511     52.264   -80.3002   127.001  73.569     57.345   17.564  8.6266  21.084  8.0519  -3.519768      11.80050 
1 1 1 -19 -39 55 o 18.067  7.4584  42.877     53.033   -5.2463    127.086  53.024     58.357   19.301  9.2785  19.144  7.8542  0.1570930      12.15644 
1 1 1 -19 -39 56 o 13.522  6.3970  -29.7188   55.574   0.0000     0.0000   -29.7188   55.574   ?       ?       13.522  6.3970  0.000000       6.396988 
1 1 1 -19 -39 57 o 18.747  8.8194  17.854     102.971  0.0000     0.0000   17.854     102.971  ?       ?       18.747  8.8194  0.000000       8.819395 
1 1 1 -19 -39 58 o 21.010  9.2293  81.741     90.666   52.986     220.001  87.624     99.509   21.290  10.612  21.324  9.5026  -0.3445053E-01 14.24457 
1 1 1 -19 -38 1  o 10.127  4.9106  -47.8294   37.538   0.0000     0.0000   -47.8294   37.538   ?       ?       10.127  4.9106  0.000000       4.910606 
1 1 1 -19 -38 2  o 16.817  6.8995  33.514     45.031   0.0000     0.0000   33.514     45.031   ?       ?       16.817  6.8995  0.000000       6.899463 
1 1 1 -19 -38 3  o 25.261  7.7231  107.285    51.727   0.0000     0.0000   107.285    51.727   ?       ?       25.261  7.7231  0.000000       7.723122 
1 1 1 -19 -38 4  o 25.848  7.7359  112.287    52.301   0.0000     0.0000   112.287    52.301   ?       ?       25.848  7.7359  0.000000       7.735898 
1 1 1 -19 -38 5  o 17.269  7.1561  35.493     49.090   0.0000     0.0000   35.493     49.090   ?       ?       17.269  7.1561  0.000000       7.156140 
1 1 1 -19 -38 6  o 26.367  7.3324  113.391    48.613   99.636     112.018  116.583    53.959   22.851  10.138  26.180  7.8627  -3.328959      12.82978 
1 1 1 -19 -38 7  o 32.264  9.1368  192.393    74.772   345.532    123.496  103.767    93.949   38.123  11.980  23.152  9.7674  14.97119       15.45694 
1 1 1 -19 -38 8  o 13.724  6.6244  -56.9043   66.424   332.386    239.811  -89.2525   69.129   27.553  13.108  12.963  6.3663  14.59034       14.57255 
1 1 1 -19 -38 9  o 16.705  7.5271  11.698     64.350   143.150    174.664  -8.9474    69.219   24.347  11.464  16.017  7.4341  8.330053       13.66316 
1 1 1 -19 -38 10 o 24.099  7.6411  96.481     50.144   209.692    197.268  88.661     51.847   26.019  12.230  23.019  7.7963  2.999403       14.50331 
1 1 1 -19 -38 11 o 18.437  7.1131  48.060     45.058   55.691     107.660  46.440     49.612   21.122  9.6042  18.446  7.3587  2.675203       12.09924 
1 1 1 -19 -38 12 o 23.803  7.7322  93.509     51.118   119.264    116.712  87.396     56.862   24.306  10.579  22.821  8.1382  1.485077       13.34720 
1 1 1 -19 -38 13 o 31.954  7.2076  159.094    54.552   265.927    123.080  132.976    60.856   33.262  11.961  27.900  8.3434  5.361738       14.58377 
1 1 1 -19 -38 14 o 37.057  6.0131  197.875    52.214   352.174    114.377  157.255    58.685   42.087  11.057  31.250  7.7720  10.83747       13.51505 
1 1 1 -19 -38 15 o 35.687  6.1117  183.977    51.018   206.357    107.828  177.522    57.911   30.842  11.181  33.948  7.2508  -3.105715      13.32619 
1 1 1 -19 -38 16 o 40.487  7.2334  248.959    68.452   166.373    114.691  294.655    85.313   27.805  11.155  42.418  8.5836  -14.61312      14.07518 
1 1 1 -19 -38 17 o 27.304  8.9076  129.036    67.813   271.238    136.908  82.805     78.062   33.368  12.509  22.771  9.1789  10.59688       15.51575 
1 1 1 -19 -38 18 o 13.289  6.3332  -46.4976   56.493   18.782     122.271  -64.2150   63.699   21.081  9.8165  13.487  6.5042  7.593921       11.77578 
1 1 1 -19 -38 19 o 12.180  5.9318  -74.6691   56.395   92.327     122.037  -120.0153  63.593   24.162  10.657  11.738  5.8265  12.42423       12.14621 
1 1 1 -19 -38 20 o 22.225  7.4715  75.387     47.613   109.933    131.804  70.203     51.061   25.189  11.095  21.574  7.7100  3.615250       13.51079 
1 1 1 -19 -38 21 o 27.536  7.2653  115.850    49.246   100.743    104.512  120.161    55.833   24.608  10.337  27.510  7.9297  -2.901966      13.02855 
1 1 1 -19 -38 22 o 25.755  7.2334  101.124    47.065   151.637    100.481  86.927     53.270   28.174  10.683  23.600  7.9030  4.573845       13.28814 
1 1 1 -19 -38 23 o 14.640  6.4043  4.9444     43.252   118.146    90.132   -28.9230   49.300   25.964  10.048  13.254  6.1922  12.71073       11.80304 
1 1 1 -19 -38 24 o 18.491  7.1297  43.270     45.248   -26.1417   94.590   63.866     51.525   18.163  8.5151  21.008  7.7117  -2.844957      11.48814 
1 1 1 -19 -38 25 o 14.822  6.4807  5.2787     44.241   -73.4905   91.784   29.119     50.494   16.302  7.8484  17.506  7.2563  -1.204119      10.68889 
1 1 1 -19 -38 26 o 18.553  7.3194  41.583     48.581   -25.6875   97.627   63.723     56.008   18.458  8.6527  21.141  7.9852  -2.682442      11.77421 
1 1 1 -19 -38 27 o 19.838  7.5102  53.252     49.614   141.247    99.321   23.993     57.272   27.715  10.594  17.702  7.5532  10.01300       13.01068 
1 1 1 -19 -38 28 o 12.778  5.9238  -23.2993   43.761   -12.9529   91.519   -26.3660   49.826   18.524  8.5801  13.509  6.2827  5.014286       10.63433 
1 1 1 -19 -38 29 o 14.873  6.5670  1.9764     46.452   119.109    95.159   -34.6662   53.224   26.167  10.269  13.550  6.3636  12.61668       12.08088 
1 1 1 -19 -38 30 o 32.828  7.1743  160.412    55.550   167.618    103.583  157.503    65.814   29.580  10.922  31.331  8.4593  -1.751610      13.81475 
1 1 1 -19 -38 31 o 23.798  7.7541  87.111     51.393   51.731     102.140  99.105     59.469   22.144  9.7595  24.966  8.3502  -2.822773      12.84424 
1 1 1 -19 -38 32 o 20.816  7.6493  62.014     50.714   110.153    103.301  46.727     58.212   25.475  10.451  19.618  7.9200  5.857359       13.11263 
1 1 1 -19 -38 33 o 19.643  8.2497  41.141     66.535   -104.7124  130.859  91.994     77.268   18.433  8.9899  24.017  9.3012  -5.584776      12.93557 
1 1 1 -19 -38 34 o 31.755  9.5099  174.482    79.021   88.362     154.053  205.232    92.053   24.977  11.408  33.519  10.312  -8.541267      15.37802 
1 1 1 -19 -38 35 o 24.158  9.1486  94.715     73.638   127.217    141.439  82.629     86.249   26.288  11.538  23.321  9.5559  2.967318       14.98151 
1 1 1 -19 -38 36 o 34.738  6.8309  177.424    55.525   190.683    110.435  172.938    64.234   30.580  11.280  33.103  8.0701  -2.523123      13.86963 
1 1 1 -19 -38 37 o 19.534  7.4340  52.119     48.774   103.583    96.869   34.641     56.453   24.706  10.126  18.334  7.6420  6.372484       12.68585 
1 1 1 -19 -38 38 o 16.714  6.9841  24.900     47.320   96.971     93.216   -0.1197    54.923   24.160  9.9210  15.613  7.0011  8.546704       12.14257 
1 1 1 -19 -38 39 o 14.590  6.5074  -0.4671    46.774   37.543     93.203   -13.2627   54.077   20.602  9.1876  14.679  6.7248  5.923749       11.38574 
1 1 1 -19 -38 40 o 28.698  7.5652  129.331    53.426   219.923    100.148  93.294     63.164   33.267  10.824  23.806  8.5680  9.461329       13.80437 
1 1 1 -19 -38 41 o 39.004  9.4438  264.336    88.422   222.982    200.066  274.375    98.571   28.161  12.914  38.360  10.351  -10.19900      16.55015 
1 1 1 -19 -38 42 o 25.614  9.5064  119.257    78.675   67.410     189.069  130.115    86.522   23.849  11.426  26.240  9.9216  -2.391600      15.13218 
1 1 1 -19 -38 43 o 24.307  11.598  94.947     190.663  94.947     190.663  0.0000     0.0000   24.307  11.598  ?       ?       0.000000       11.59814 
1 1 1 -19 -38 44 o 27.143  11.435  171.787    128.460  171.787    128.460  0.0000     0.0000   27.143  11.435  ?       ?       0.000000       11.43463 
1 1 1 -19 -38 45 o 13.819  6.9276  -188.4008  99.977   -188.4008  99.977   0.0000     0.0000   13.819  6.9276  ?       ?       0.000000       6.927551 
1 1 1 -19 -38 46 o 20.845  8.6941  65.071     73.133   74.261     119.187  59.522     92.618   22.295  10.125  21.019  9.2772  1.275345       13.73267 
1 1 1 -19 -38 47 o 17.382  6.8194  39.542     41.954   -124.6682  113.851  65.345     45.130   16.041  7.9331  20.477  7.2558  -4.435640      10.75084 
1 1 1 -19 -38 48 o 16.058  6.5772  27.983     40.839   -79.2280   115.557  43.285     43.657   17.131  8.3750  17.848  6.9693  -0.7177029     10.89550 
1 1 1 -19 -38 49 o 17.294  7.2554  33.039     51.374   144.115    123.816  9.9389     56.464   25.167  10.925  15.993  7.1401  9.174569       13.05134 
1 1 1 -19 -38 50 o 20.179  8.0095  62.496     58.503   87.541     128.635  55.965     65.690   22.680  10.384  19.813  8.2498  2.867390       13.26198 
1 1 1 -19 -38 51 o 16.846  7.2447  25.729     53.438   168.061    121.533  -8.3843    59.498   26.455  11.132  15.196  6.9957  11.25856       13.14773 
1 1 1 -19 -38 52 o 18.586  8.1162  35.978     69.192   158.679    160.986  8.1757     76.631   25.189  11.563  17.491  8.0104  7.697336       14.06665 
1 1 1 -19 -38 53 o 20.029  8.3913  56.880     68.564   18.027     162.742  65.265     75.601   21.383  10.333  20.816  8.7709  0.5665131      13.55342 
1 1 1 -19 -38 54 o 22.859  8.1970  88.867     57.761   84.008     167.252  89.526     61.548   23.051  10.961  22.811  8.4197  0.2403011      13.82142 
1 1 1 -19 -38 55 o 19.243  8.0075  50.250     61.837   0.0000     0.0000   50.250     61.837   ?       ?       19.243  8.0075  0.000000       8.007549 
1 1 1 -19 -38 56 o 25.589  8.7587  119.863    65.444   0.0000     0.0000   119.863    65.444   ?       ?       25.589  8.7587  0.000000       8.758721 
1 1 1 -19 -38 57 o 22.490  9.5832  94.643     91.961   182.473    221.321  76.315     101.102  24.553  11.910  21.540  9.5902  3.012699       15.29131 
1 1 1 -19 -38 58 o 18.902  8.7057  29.388     92.280   279.588    265.340  -5.0380    98.425   25.108  12.359  17.859  8.4673  7.249641       14.98126 
1 1 1 -19 -38 59 f 17.662  8.2765  8.6134     89.201   20.002     265.172  7.1602     94.721   21.411  10.803  17.875  8.4239  3.535994       13.69885 
1 1 1 -19 -37 1  o 16.165  6.7425  26.300     43.987   0.0000     0.0000   26.300     43.987   ?       ?       16.165  6.7425  0.000000       6.742506 
1 1 1 -19 -37 2  o 89.130  5.5331  1118.57    119.071  0.0000     0.0000   1118.57    119.071  ?       ?       89.130  5.5331  0.000000       5.533115 
1 1 1 -19 -37 3  o 16.892  6.9654  32.376     46.185   0.0000     0.0000   32.376     46.185   ?       ?       16.892  6.9654  0.000000       6.965399 
1 1 1 -19 -37 4  o 29.440  6.9076  134.764    48.494   69.721     126.103  146.053    52.534   22.025  10.156  30.354  7.2353  -8.328363      12.46963 
1 1 1 -19 -37 5  o 35.716  6.4271  190.539    53.649   174.072    117.871  194.842    60.252   26.999  11.130  35.175  7.2987  -8.175978      13.30933 
1 1 1 -19 -37 6  o 13.033  5.9454  -9.3979    41.676   117.900    102.822  -34.4221   45.589   24.214  10.217  12.135  5.7563  12.07819       11.72690 
1 1 1 -19 -37 7  o 20.501  7.2783  65.545     45.432   85.095     111.321  61.638     49.766   22.558  10.052  20.048  7.5369  2.510599       12.56354 
1 1 1 -19 -37 8  f 20.016  8.0719  58.573     60.394   2.7928     106.326  85.142     73.381   19.130  8.9873  22.384  8.9429  -3.253914      12.67858 
1 1 1 -19 -37 9  o 24.547  9.0025  107.982    70.197   42.181     175.495  120.515    76.590   22.523  10.846  25.432  9.3913  -2.908875      14.34669 
1 1 1 -19 -37 10 o 26.303  9.4187  128.162    76.237   142.538    223.103  126.262    81.121   25.286  12.189  25.888  9.6441  -0.6021996     15.54292 
1 1 1 -19 -37 11 o 11.665  5.5462  -37.4445   42.812   -242.1530  216.874  -29.1438   43.671   19.606  9.8770  12.242  5.7542  7.364044       11.43091 
1 1 1 -19 -37 12 o 38.519  6.2140  213.909    56.101   398.758    119.554  161.712    63.530   45.872  10.902  31.417  8.2341  14.45550       13.66193 
1 1 1 -19 -37 13 o 33.917  5.7899  162.584    45.939   226.948    117.394  150.945    49.920   32.157  11.665  31.939  6.6573  0.2184124      13.43107 
1 1 1 -19 -37 14 o 9.4999  4.5732  -39.3865   31.143   75.317     94.100   -53.4952   33.002   22.749  9.6938  9.1786  4.4849  13.57071       10.68098 
1 1 1 -19 -37 15 o 35.578  6.0747  179.753    50.558   232.187    106.551  164.518    57.436   34.113  11.167  32.869  7.3821  1.243446       13.38680 
1 1 1 -19 -37 16 o 33.711  6.3658  163.402    50.161   274.459    108.215  133.010    56.610   37.868  11.076  29.116  7.8390  8.752239       13.56912 
1 1 1 -19 -37 17 o 45.911  5.2324  285.686    57.246   325.751    116.295  272.873    65.766   41.504  11.261  43.806  6.3742  -2.302567      12.94021 
1 1 1 -19 -37 18 o 23.490  8.6729  85.806     65.316   82.815     127.542  86.869     76.044   24.431  10.829  23.656  9.2089  0.7742538      14.21548 
1 1 1 -19 -37 19 o 24.463  8.8764  95.106     67.983   49.264     137.922  109.818    78.134   23.486  10.752  25.713  9.4874  -2.226904      14.33955 
1 1 1 -19 -37 20 o 19.297  8.0237  38.532     62.016   26.159     127.264  42.385     71.019   22.323  10.260  20.170  8.4998  2.152729       13.32325 
1 1 1 -19 -37 21 o 34.673  8.8907  193.754    75.153   173.972    145.951  200.891    87.669   29.225  12.243  34.082  9.9691  -4.856754      15.78870 
1 1 1 -19 -37 22 o 18.983  7.1935  45.983     45.545   51.207     94.365   44.397     52.003   22.085  9.5623  19.210  7.5746  2.874664       12.19883 
1 1 1 -19 -37 23 o 22.188  7.6173  72.052     49.507   27.333     97.538   87.570     57.458   21.041  9.3898  23.973  8.2069  -2.932781      12.47083 
1 1 1 -19 -37 24 o 27.578  7.3665  113.642    50.228   195.830    99.600   85.612     58.166   32.811  10.800  23.779  8.2512  9.031330       13.59107 
1 1 1 -19 -37 25 o 41.576  5.8367  237.249    57.259   232.873    110.516  238.855    66.945   35.210  11.363  40.711  7.0313  -5.501064      13.36244 
1 1 1 -19 -37 26 o 21.481  7.6105  65.656     49.650   81.498     101.056  60.616     57.004   24.267  10.178  21.155  8.0401  3.111673       12.97059 
1 1 1 -19 -37 27 o 38.159  6.3033  203.779    56.325   165.248    105.612  219.094    66.585   30.063  11.040  38.698  7.3601  -8.635435      13.26838 
1 1 1 -19 -37 28 o 18.456  7.2480  39.228     47.436   -78.2845   95.485   77.733     54.658   16.768  8.0559  22.950  7.9966  -6.182178      11.35091 
1 1 1 -19 -37 29 o 41.402  5.9794  236.289    58.327   228.092    107.809  239.682    69.354   35.121  11.211  40.558  7.3167  -5.436718      13.38749 
1 1 1 -19 -37 30 o 14.619  6.4686  -1.1854    45.308   -70.4912   95.029   19.204     51.543   16.968  8.1216  16.980  7.2029  -0.1121902E-01 10.85550 
1 1 1 -19 -37 31 o 34.306  7.0700  171.111    56.893   171.538    109.028  170.952    66.693   30.370  11.207  33.235  8.2963  -2.864746      13.94355 
1 1 1 -19 -37 32 o 25.795  7.7210  100.914    52.098   95.693     101.745  102.769    60.652   25.113  10.345  25.679  8.4265  -0.5658493     13.34241 
1 1 1 -19 -37 33 o 21.523  7.8549  65.695     53.346   97.946     102.444  53.695     62.487   25.220  10.384  20.708  8.2593  4.512167       13.26782 
1 1 1 -19 -37 34 o 29.128  9.4632  142.133    76.566   205.548    143.612  116.950    90.501   31.164  12.489  26.441  10.111  4.723309       16.06918 
1 1 1 -19 -37 35 o 36.580  9.3300  219.893    83.073   294.734    153.630  188.968    98.755   35.846  13.288  32.064  10.760  3.782188       17.09852 
1 1 1 -19 -37 36 o 23.212  9.0873  79.659     74.371   252.145    142.723  15.366     87.136   33.736  12.746  19.653  8.8152  14.08313       15.49732 
1 1 1 -19 -37 37 o 20.057  7.4189  55.223     47.836   77.735     102.510  48.955     54.087   23.722  10.113  19.689  7.7371  4.032272       12.73337 
1 1 1 -19 -37 38 o 24.421  7.5993  91.221     49.831   88.681     98.245   92.101     57.820   24.183  10.081  24.269  8.2331  -0.8608246E-01 13.01562 
1 1 1 -19 -37 39 o 51.910  5.2798  364.814    65.577   378.206    119.451  359.036    78.456   45.709  10.920  50.085  6.6180  -4.376156      12.76871 
1 1 1 -19 -37 40 o 24.278  7.8511  91.982     52.739   154.351    105.174  71.031     60.957   28.311  10.882  21.910  8.3173  6.400476       13.69684 
1 1 1 -19 -37 41 o 27.743  7.8956  121.734    55.694   152.790    111.783  111.480    64.234   27.839  11.065  25.968  8.6784  1.870825       14.06193 
1 1 1 -19 -37 42 o 23.882  11.255  55.776     169.091  55.776     169.091  0.0000     0.0000   23.882  11.255  ?       ?       0.000000       11.25498 
1 1 1 -19 -37 43 o 35.772  14.665  415.656    203.234  415.656    203.234  0.0000     0.0000   35.772  14.665  ?       ?       0.000000       14.66453 
1 1 1 -19 -37 44 o 48.972  11.957  483.776    140.848  483.776    140.848  0.0000     0.0000   48.972  11.957  ?       ?       0.000000       11.95710 
1 1 1 -19 -37 45 o 17.808  7.4076  33.994     52.888   64.348     112.628  25.407     59.904   22.317  10.015  17.660  7.6325  4.657564       12.59214 
1 1 1 -19 -37 46 o 17.314  6.8974  36.306     43.533   130.149    112.642  19.829     47.200   25.473  10.718  16.074  6.8578  9.398678       12.72411 
1 1 1 -19 -37 47 o 20.214  7.7329  60.988     52.948   -191.7542  113.692  130.987    59.832   14.915  7.4639  27.879  8.2584  -12.96388      11.13154 
1 1 1 -19 -37 48 o 22.600  8.2955  84.821     59.621   55.452     124.212  93.613     67.961   21.851  10.077  23.297  8.7970  -1.445866      13.37652 
1 1 1 -19 -37 49 o 20.393  7.3462  64.027     46.443   228.660    126.780  38.509     49.913   30.255  11.859  17.812  7.2806  12.44304       13.91562 
1 1 1 -19 -37 50 o 13.809  6.4318  -21.2453   52.541   4.1082     123.204  -26.8811   58.088   19.960  9.4663  14.185  6.6575  5.774279       11.57292 
1 1 1 -19 -37 51 o 42.976  6.7974  278.308    68.523   388.417    139.822  243.503    78.611   39.703  12.778  37.698  8.7608  2.004684       15.49252 
1 1 1 -19 -37 52 o 21.060  7.8990  70.303     54.601   127.126    125.603  57.062     60.630   24.672  10.850  19.906  8.0664  4.766294       13.51993 
1 1 1 -19 -37 53 o 16.300  7.5264  -7.6373    69.621   326.052    173.652  -71.5456   75.996   31.821  13.344  14.370  6.9727  17.45040       15.05592 
1 1 1 -19 -37 54 o 36.020  10.757  263.443    101.213  0.0000     0.0000   263.443    101.213  ?       ?       36.020  10.757  0.000000       10.75732 
1 1 1 -19 -37 55 o 32.717  8.9154  188.204    72.705   0.0000     0.0000   188.204    72.705   ?       ?       32.717  8.9154  0.000000       8.915380 
1 1 1 -19 -37 56 o 23.186  8.2982  91.451     59.170   117.447    135.893  85.370     65.727   24.158  10.907  22.439  8.6081  1.719402       13.89461 
1 1 1 -19 -37 57 o 19.697  8.5817  47.716     76.971   91.775     122.310  18.827     99.041   22.874  10.335  19.254  8.9210  3.619345       13.65292 
1 1 1 -19 -37 58 o 21.640  9.5104  76.531     96.365   126.402    292.789  70.473     102.050  23.849  11.941  21.425  9.5797  2.423880       15.30850 
1 1 1 -19 -37 59 o 24.190  10.293  130.355    105.835  -2.8271    275.689  153.375    114.617  21.944  11.064  25.191  10.716  -3.247814      15.40280 
1 1 1 -19 -36 1  o 18.075  7.0791  43.820     45.147   0.0000     0.0000   43.820     45.147   ?       ?       18.075  7.0791  0.000000       7.079106 
1 1 1 -19 -36 2  o 12.914  5.8447  -6.8208    39.296   0.0000     0.0000   -6.8208    39.296   ?       ?       12.914  5.8447  0.000000       5.844653 
1 1 1 -19 -36 3  f 12.090  5.5489  -13.4974   37.043   7.1293     90.968   -17.5976   40.558   18.496  8.5626  12.372  5.7239  6.124059       10.29956 
1 1 1 -19 -36 4  o 10.812  5.1548  -35.7339   37.503   -0.9662    103.603  -40.9768   40.232   18.907  8.8790  11.007  5.2724  7.900022       10.32645 
1 1 1 -19 -36 5  o 14.044  6.2297  2.4815     42.281   70.869     111.865  -8.9160    45.668   22.163  9.9610  13.681  6.2341  8.482212       11.75100 
1 1 1 -19 -36 6  o 26.246  7.1471  108.035    46.744   68.415     111.921  116.406    51.446   22.162  9.9619  26.888  7.5664  -4.725498      12.50959 
1 1 1 -19 -36 7  o 21.892  7.2303  74.570     44.628   66.556     106.472  76.278     49.154   22.080  9.8351  21.983  7.5876  0.9694481E-01  12.42177 
1 1 1 -19 -36 8  o 16.590  6.7761  29.026     43.194   155.226    118.651  9.7460     46.376   26.963  11.145  15.211  6.6433  11.75201       12.97506 
1 1 1 -19 -36 9  o 12.761  6.0155  -33.5504   48.357   -102.0785  91.287   -6.8196    57.014   15.166  7.4208  15.350  6.9834  -0.1833735     10.19004 
1 1 1 -19 -36 10 o 78.771  7.0953  917.745    134.158  953.031    286.356  907.823    151.854  49.265  18.165  75.726  8.4063  -26.46169      20.01621 
1 1 1 -19 -36 11 o 19.460  8.4039  35.297     72.512   -158.5134  211.531  61.104     77.189   21.076  10.489  21.441  8.9364  -0.3651104     13.77961 
1 1 1 -19 -36 12 o 8.3966  4.0730  -38.8781   25.883   0.0000     0.0000   -38.8781   25.883   ?       ?       8.3966  4.0730  0.000000       4.073016 
1 1 1 -19 -36 13 o 16.011  6.1265  29.665     33.239   -89.2090   96.086   45.824     35.426   16.225  7.8651  18.339  6.4351  -2.114010      10.16224 
1 1 1 -19 -36 14 o 9.0213  4.3564  -39.9573   28.813   4.0343     92.255   -44.7122   30.330   19.380  8.8424  9.0984  4.4125  10.28111       9.882208 
1 1 1 -19 -36 15 o 29.545  6.1509  123.643    42.661   286.552    105.496  91.795     46.645   40.137  10.655  24.736  7.2820  15.40088       12.90540 
1 1 1 -19 -36 16 o 20.651  7.1121  60.461     43.175   163.532    98.393   35.882     48.048   29.971  10.703  18.093  7.2336  11.87841       12.91858 
1 1 1 -19 -36 17 o 19.345  7.1805  49.038     44.890   94.908     100.744  37.675     50.143   25.039  10.302  18.475  7.3885  6.564056       12.67731 
1 1 1 -19 -36 18 o 37.615  5.8833  194.714    51.937   145.297    111.770  208.322    58.654   28.508  11.146  38.431  6.5233  -9.922932      12.91444 
1 1 1 -19 -36 19 o 41.807  8.0073  261.270    78.270   382.773    147.080  213.268    92.447   43.671  12.951  35.339  10.209  8.331650       16.49061 
1 1 1 -19 -36 20 o 45.852  7.8051  309.424    83.726   346.129    154.242  294.091    99.691   40.357  13.447  42.423  9.8705  -2.066837      16.68087 
1 1 1 -19 -36 21 o 29.489  9.3681  140.875    75.346   -0.0016    148.466  189.744    87.443   23.048  10.761  33.661  9.9866  -10.61306      14.68079 
1 1 1 -19 -36 22 o 19.395  8.2573  28.937     68.169   99.582     131.735  3.1015     79.664   26.417  11.368  18.800  8.4308  7.617605       14.15320 
1 1 1 -19 -36 23 o 14.654  6.4048  1.8795     43.179   26.248     88.333   -5.7716    49.496   20.775  9.1185  14.972  6.6845  5.803924       11.30623 
1 1 1 -19 -36 24 o 11.650  5.5294  -41.5384   42.184   2.0973     89.131   -54.1339   47.887   19.601  8.8427  11.999  5.7491  7.601283       10.54728 
1 1 1 -19 -36 25 o 17.141  6.9963  25.757     46.005   -45.3191   90.445   50.564     53.433   17.665  8.2961  20.203  7.7588  -2.537657      11.35888 
1 1 1 -19 -36 26 o 18.037  7.2264  32.827     48.061   235.908    96.310   -34.5137   55.460   37.654  10.261  14.119  6.5867  23.53522       12.19339 
1 1 1 -19 -36 27 o 23.269  7.6701  78.303     50.231   166.506    98.396   47.214     58.417   31.111  10.735  20.209  8.0091  10.90198       13.39387 
1 1 1 -19 -36 28 o 27.041  7.4922  107.544    50.853   144.789    102.340  95.333     58.599   29.230  10.843  25.239  8.2827  3.991205       13.64490 
1 1 1 -19 -36 29 o 17.567  7.1036  29.104     46.913   65.844     95.700   17.482     53.824   23.598  9.9016  17.261  7.3427  6.337366       12.32705 
1 1 1 -19 -36 30 o 18.037  7.2373  32.649     48.286   -59.7128   93.338   66.400     56.422   17.412  8.2525  21.988  8.0700  -4.576431      11.54249 
1 1 1 -19 -36 31 o 16.768  7.0220  19.450     47.981   92.502     95.244   -5.3940    55.544   25.299  10.160  15.807  7.0678  9.491609       12.37630 
1 1 1 -19 -36 32 o 14.935  6.5879  -0.8391    46.635   -50.6859   98.938   13.399     52.878   18.215  8.5918  16.809  7.2171  1.405849       11.22078 
1 1 1 -19 -36 33 o 15.912  6.7057  15.092     44.202   5.7823     98.252   17.454     49.493   20.428  9.2436  16.741  7.0774  3.686886       11.64194 
1 1 1 -19 -36 34 o 29.764  8.8650  139.749    68.805   180.074    107.879  112.098    89.333   31.580  11.215  26.547  10.071  5.033850       15.07316 
1 1 1 -19 -36 35 o 34.979  9.0607  194.136    77.519   173.912    148.481  201.714    90.889   30.096  12.456  34.505  10.167  -4.408829      16.07892 
1 1 1 -19 -36 36 o 28.712  9.5363  135.376    77.594   150.341    145.487  129.427    91.730   28.787  12.150  27.779  10.274  1.007341       15.91154 
1 1 1 -19 -36 37 o 32.093  9.5967  171.118    80.513   256.181    151.636  137.721    95.013   34.298  13.095  28.294  10.458  6.004036       16.75802 
1 1 1 -19 -36 38 o 15.430  6.8903  -3.3331    52.611   35.947     102.966  -17.2114   61.203   21.860  9.7081  15.644  7.1625  6.215134       12.06432 
1 1 1 -19 -36 39 o 14.899  6.5817  0.3906     46.721   -109.9886  107.299  26.214     51.899   16.841  8.1975  17.560  7.3241  -0.7195225     10.99273 
1 1 1 -19 -36 40 o 38.932  6.5349  215.366    59.544   289.212    123.022  192.774    68.045   38.307  11.944  35.409  8.0962  2.897858       14.42910 
1 1 1 -19 -36 41 o 17.953  8.5130  -47.1689   99.544   -47.1689   99.544   0.0000     0.0000   17.953  8.5130  ?       ?       0.000000       8.513028 
1 1 1 -19 -36 42 o 22.356  10.673  -14.2199   161.963  -14.2199   161.963  0.0000     0.0000   22.356  10.673  ?       ?       0.000000       10.67337 
1 1 1 -19 -36 43 o 14.846  7.1200  -63.2364   73.849   29.074     159.393  -88.4680   83.333   23.270  10.955  15.010  7.2872  8.260735       13.15734 
1 1 1 -19 -36 44 f 17.773  8.1276  -3.4198    78.501   26.022     169.185  -11.4973   88.617   23.289  11.059  18.214  8.4389  5.074245       13.91114 
1 1 1 -19 -36 45 o 28.891  6.9585  125.427    48.199   232.895    118.223  104.003    52.785   32.951  11.736  25.633  7.7943  7.318169       14.08873 
1 1 1 -19 -36 46 o 16.413  6.6477  28.130     41.157   -81.9831   111.468  45.511     44.286   17.383  8.4369  18.514  7.0746  -1.130220      11.01054 
1 1 1 -19 -36 47 o 17.055  7.2296  25.451     51.864   62.069     120.039  17.046     57.509   22.524  10.202  16.916  7.3926  5.608530       12.59925 
1 1 1 -19 -36 48 f 19.593  7.2785  55.527     46.140   168.667    118.713  35.393     50.078   27.731  11.269  17.717  7.2731  10.01387       13.41265 
1 1 1 -19 -36 49 o 27.070  7.4086  115.946    50.079   141.559    123.532  110.909    54.782   25.925  11.078  25.981  7.9488  -0.5563545E-01 13.63496 
1 1 1 -19 -36 50 o 18.639  7.6239  43.474     54.777   137.815    125.356  21.208     60.899   25.583  11.049  17.337  7.5912  8.246487       13.40546 
1 1 1 -19 -36 51 o 18.108  7.5345  37.540     54.741   178.058    124.056  3.5654     61.001   27.697  11.418  16.211  7.3142  11.48644       13.55960 
1 1 1 -19 -36 52 o 11.730  5.6507  -51.6162   47.762   16.942     147.355  -59.6643   50.487   21.387  10.203  11.793  5.7128  9.593855       11.69307 
1 1 1 -19 -36 53 o 18.127  8.0869  20.868     72.286   0.0000     0.0000   20.868     72.286   ?       ?       18.127  8.0869  0.000000       8.086939 
1 1 1 -19 -36 54 o 21.526  8.9969  69.550     78.549   0.0000     0.0000   69.550     78.549   ?       ?       21.526  8.9969  0.000000       8.996947 
1 1 1 -19 -36 55 f 24.232  8.3936  99.151     60.177   72.653     133.877  105.860    67.366   22.894  10.523  24.636  8.8503  -1.742069      13.74960 
1 1 1 -19 -36 56 o 57.637  5.9357  473.331    81.824   500.136    156.956  463.328    95.884   45.653  13.335  54.931  7.3807  -9.277523      15.24109 
1 1 1 -19 -36 57 o 30.291  8.3276  154.925    63.106   417.133    134.496  80.904     71.460   43.410  12.240  22.170  8.8355  21.23948       15.09618 
1 1 1 -19 -36 58 o 17.072  8.1731  -39.6526   96.346   -188.8278  260.888  -16.0947   103.675  20.866  10.548  18.314  8.6853  2.551952       13.66384 
1 1 1 -19 -36 59 o 15.892  7.6644  -53.9882   88.484   254.624    264.248  -92.9616   93.905   25.864  12.649  15.212  7.4607  10.65164       14.68524 
1 1 1 -19 -36 60 o 16.654  8.0199  -40.9323   95.971   26.332     267.910  -50.8345   102.793  22.268  11.187  16.797  8.1407  5.470909       13.83539 
1 1 1 -19 -35 1  o 12.781  5.7769  -7.1351    38.252   0.0000     0.0000   -7.1351    38.252   ?       ?       12.781  5.7769  0.000000       5.776887 
1 1 1 -19 -35 2  o 12.431  5.5556  -3.6564    34.275   -38.2203   91.212   2.0267     36.986   16.920  8.0593  13.321  5.8718  3.599448       9.971490 
1 1 1 -19 -35 3  o 41.552  5.2612  239.105    51.856   157.128    113.922  260.529    58.240   26.954  11.006  42.911  5.7372  -15.95727      12.41180 
1 1 1 -19 -35 4  o 25.070  7.0983  97.698     45.133   162.226    103.914  82.695     50.106   27.851  10.786  22.783  7.6645  5.068104       13.23207 
1 1 1 -19 -35 5  o 17.839  6.9292  40.897     42.983   113.313    100.251  24.587     47.578   24.811  10.249  16.578  6.9700  8.233311       12.39485 
1 1 1 -19 -35 6  o 19.504  7.0348  54.636     42.607   26.642     104.406  60.229     46.669   20.545  9.3869  20.256  7.3539  0.2893410      11.92445 
1 1 1 -19 -35 7  f 18.293  6.8732  44.494     41.376   -68.3517   102.877  66.270     45.192   17.193  8.2850  21.068  7.2752  -3.875761      11.02586 
1 1 1 -19 -35 8  o 38.471  5.6829  205.732    51.451   199.779    110.112  207.394    58.194   31.277  11.305  37.853  6.5745  -6.576874      13.07755 
1 1 1 -19 -35 9  o 15.600  6.5027  18.956     40.877   1.9744     103.014  22.129     44.533   19.862  9.1657  16.298  6.7899  3.564407       11.40670 
1 1 1 -19 -35 10 f 15.715  7.1416  -9.5591    59.416   4.4794     98.547   -17.5766   74.474   19.803  9.0746  16.880  7.7908  2.923336       11.96012 
1 1 1 -19 -35 11 o 26.541  8.9623  114.761    68.514   70.662     209.362  120.050    72.506   25.980  12.327  26.937  9.2192  -0.9574242     15.39304 
1 1 1 -19 -35 12 o 37.696  8.5841  222.489    76.758   135.603    183.067  241.022    84.549   27.742  12.580  38.659  9.1549  -10.91626      15.55832 
1 1 1 -19 -35 13 o 32.851  8.6584  170.390    69.990   186.922    158.289  166.372    78.033   30.134  12.694  31.694  9.4410  -1.559378      15.81974 
1 1 1 -19 -35 14 o 25.048  6.4586  89.728     39.506   101.820    102.012  87.594     42.850   25.707  10.447  24.536  6.9057  1.171097       12.52290 
1 1 1 -19 -35 15 o 11.256  5.1933  -19.6271   33.045   49.893     95.240   -29.1419   35.234   22.410  9.6548  11.050  5.1857  11.36040       10.95931 
1 1 1 -19 -35 16 o 7.3247  3.6554  -66.3160   26.444   -120.9247  92.203   -61.4217   27.603   15.343  7.4967  7.7799  3.8579  7.562905       8.431118 
1 1 1 -19 -35 17 o 17.584  6.9947  31.491     44.708   45.611     98.130   27.792     50.223   22.507  9.7480  17.756  7.2858  4.750391       12.16990 
1 1 1 -19 -35 18 f 11.536  5.4823  -42.5357   41.735   -6.8021    93.535   -51.4185   46.635   19.612  8.9311  11.938  5.7073  7.674188       10.59895 
1 1 1 -19 -35 19 o 17.942  7.0017  34.909     44.043   80.029     91.000   21.107     50.331   24.480  9.8955  17.233  7.2022  7.246458       12.23896 
1 1 1 -19 -35 20 o 22.809  8.7706  68.965     68.331   240.354    130.019  3.5647     80.317   35.756  12.340  19.076  8.5163  16.67975       14.99381 
1 1 1 -19 -35 21 o 22.665  8.8789  65.545     71.035   -69.5478   141.579  110.993    82.119   21.068  10.037  26.881  9.7555  -5.812761      13.99647 
1 1 1 -19 -35 22 o 15.899  7.3245  -27.1779   65.382   149.227    126.272  -91.7965   76.424   29.775  11.783  14.608  7.0646  15.16673       13.73869 
1 1 1 -19 -35 23 o 25.194  7.8133  92.440     52.728   111.859    141.278  89.297     56.834   27.926  11.888  24.760  8.1585  3.165081       14.41830 
1 1 1 -19 -35 24 f 14.478  6.4018  -3.9012    44.304   13.324     87.827   -9.7803    51.311   20.346  9.0042  15.079  6.7639  5.267074       11.26173 
1 1 1 -19 -35 25 o 21.125  7.4821  59.650     47.984   119.132    93.813   38.575     55.842   27.729  10.363  19.413  7.7851  8.316284       12.96152 
1 1 1 -19 -35 26 o 11.801  5.5740  -39.0756   41.901   -81.1588   88.719   -26.9936   47.537   16.393  7.8464  13.441  6.2108  2.952117       10.00706 
1 1 1 -19 -35 27 o 46.043  5.4046  280.501    59.231   235.335    108.965  299.444    70.567   37.135  11.178  46.866  6.3707  -9.730457      12.86586 
1 1 1 -19 -35 28 o 24.078  7.6072  83.071     49.735   81.018     96.392   83.815     58.060   24.993  10.156  24.170  8.2499  0.8232136      13.08420 
1 1 1 -19 -35 29 o 22.835  7.6578  73.248     50.017   62.286     97.271   77.188     58.317   23.815  9.9870  23.431  8.2538  0.3840275      12.95632 
1 1 1 -19 -35 30 o 17.610  7.0498  29.456     45.702   16.909     95.551   33.178     52.041   21.138  9.3716  18.582  7.4932  2.555790       11.99890 
1 1 1 -19 -35 31 o 32.505  6.9088  149.035    52.811   239.526    103.096  116.844    61.491   37.911  10.726  27.918  8.3955  9.992699       13.62111 
1 1 1 -19 -35 32 o 19.274  7.2811  44.584     46.569   121.689    97.770   21.957     52.963   27.868  10.545  17.655  7.3842  10.21319       12.87294 
1 1 1 -19 -35 33 o 22.631  7.5534  72.187     48.659   211.936    97.968   26.421     56.063   35.635  10.570  18.329  7.6256  17.30647       13.03370 
1 1 1 -19 -35 34 o 25.070  7.6145  91.507     50.399   107.030    104.215  86.769     57.580   26.771  10.670  24.399  8.2162  2.372128       13.46668 
1 1 1 -19 -35 35 o 23.470  9.1190  74.135     74.459   128.353    137.221  51.510     88.644   28.427  11.887  22.495  9.4888  5.932014       15.21002 
1 1 1 -19 -35 36 o 25.919  9.7436  101.591    83.171   241.957    141.760  27.912     102.706  35.017  12.801  21.955  9.7258  13.06204       16.07643 
1 1 1 -19 -35 37 o 21.310  9.4571  23.047     97.541   0.0000     0.0000   23.047     97.541   ?       ?       21.310  9.4571  0.000000       9.457067 
1 1 1 -19 -35 38 o 17.668  7.5978  16.466     58.770   146.734    167.972  -1.7050    62.735   29.100  12.678  16.875  7.5306  12.22488       14.74584 
1 1 1 -19 -35 39 o 29.069  9.1019  134.874    71.360   148.596    108.156  124.295    94.962   29.153  11.076  27.478  10.393  1.674650       15.18862 
1 1 1 -19 -35 40 o 30.963  11.523  178.621    115.740  178.621    115.740  0.0000     0.0000   30.963  11.523  ?       ?       0.000000       11.52260 
1 1 1 -19 -35 41 o 29.191  11.502  157.118    119.830  157.118    119.830  0.0000     0.0000   29.191  11.502  ?       ?       0.000000       11.50197 
1 1 1 -19 -35 42 o 22.706  8.1447  75.873     57.031   281.453    113.192  5.9286     66.024   39.089  11.297  17.487  7.7696  21.60202       13.71123 
1 1 1 -19 -35 43 o 27.688  8.7230  123.439    65.430   8.9725     178.413  141.226    70.331   23.850  11.335  29.359  9.0104  -5.509346      14.47982 
1 1 1 -19 -35 44 o 13.452  6.2242  -23.2556   47.971   -18.3642   167.319  -23.6937   50.074   22.588  10.802  13.731  6.3552  8.856994       12.53287 
1 1 1 -19 -35 45 f 15.842  6.5645  20.669     41.306   79.561     110.684  11.140     44.523   23.871  10.346  15.352  6.6077  8.518782       12.27596 
1 1 1 -19 -35 46 o 42.995  5.7287  256.221    58.276   446.689    129.256  207.626    65.289   49.498  11.043  37.039  7.5214  12.45968       13.36088 
1 1 1 -19 -35 47 o 13.405  6.0189  -5.9157    40.736   -25.3006   112.230  -2.9743    43.717   19.260  9.1050  14.052  6.2775  5.208489       11.05933 
1 1 1 -19 -35 48 o 13.383  6.0718  -9.8307    42.726   21.854     112.342  -15.1888   46.198   20.829  9.5978  13.532  6.2053  7.297636       11.42910 
1 1 1 -19 -35 49 o 23.581  7.2093  85.953     45.073   -38.6677   119.411  106.658    48.673   19.038  9.1100  26.145  7.3605  -7.106966      11.71194 
1 1 1 -19 -35 50 o 28.598  7.3094  127.123    50.913   149.694    125.404  122.669    55.711   26.622  11.261  27.517  7.9179  -0.8948517     13.76587 
1 1 1 -19 -35 51 o 43.077  8.2478  297.870    83.069   0.0000     0.0000   297.870    83.069   ?       ?       43.077  8.2478  0.000000       8.247828 
1 1 1 -19 -35 52 o 20.806  8.2475  63.794     61.959   0.0000     0.0000   63.794     61.959   ?       ?       20.806  8.2475  0.000000       8.247518 
1 1 1 -19 -35 53 o 16.492  7.5762  -6.8850    69.276   0.0000     0.0000   -6.8850    69.276   ?       ?       16.492  7.5762  0.000000       7.576223 
1 1 1 -19 -35 54 o 20.974  8.6656  62.439     71.676   112.163    175.823  52.528     78.494   24.850  11.637  20.533  8.8039  4.317442       14.59217 
1 1 1 -19 -35 55 o 24.944  9.0806  108.553    71.229   -73.3713   140.895  171.012    82.556   19.182  9.3494  30.264  9.8262  -11.08148      13.56338 
1 1 1 -19 -35 56 o 16.983  7.2669  23.525     53.284   -5.8841    119.081  30.888     59.582   19.896  9.3974  18.037  7.7003  1.859533       12.14932 
1 1 1 -19 -35 57 o 34.251  7.9658  188.356    64.950   247.793    144.028  173.183    72.769   30.938  12.469  31.456  9.0487  -0.5175953     15.40643 
1 1 1 -19 -35 58 o 29.628  10.953  189.106    104.241  245.098    276.808  179.853    112.525  26.907  13.113  28.419  11.162  -1.511818      17.22025 
1 1 1 -19 -35 59 o 21.832  9.5651  71.559     96.810   101.383    274.809  67.333     103.441  24.371  12.100  21.758  9.6928  2.613232       15.50359 
1 1 1 -19 -35 60 o 20.846  9.2196  60.493     91.926   -2.9072    317.612  66.290     96.036   22.987  11.622  21.246  9.4084  1.741737       14.95291 
1 1 1 -19 -34 1  o 22.152  6.9105  74.908     41.178   -4.7456    112.539  87.221     44.246   19.592  9.2179  23.718  7.1192  -4.125292      11.64699 
1 1 1 -19 -34 2  o 18.183  6.5570  45.902     37.013   -63.5412   93.017   66.491     40.345   16.401  7.8975  21.028  6.8712  -4.626898      10.46822 
1 1 1 -19 -34 3  o 8.9562  4.3665  -48.3695   30.788   -34.4568   84.764   -50.4840   33.045   16.774  7.9245  9.3138  4.5370  7.460196       9.131423 
1 1 1 -19 -34 4  o 27.209  6.8005  110.876    44.773   257.234    105.703  78.877     49.425   36.232  11.033  22.591  7.6123  13.64111       13.40384 
1 1 1 -19 -34 5  o 26.639  6.7730  105.612    43.876   181.073    103.903  89.236     48.404   30.231  10.973  24.050  7.4907  6.181393       13.28607 
1 1 1 -19 -34 6  o 24.381  7.0338  89.198     43.913   -38.4911   106.308  115.467    48.219   18.607  8.8155  27.707  7.1306  -9.100292      11.33836 
1 1 1 -19 -34 7  o 13.282  5.8068  1.3936     35.516   -26.0275   89.995   6.4520     38.653   17.919  8.3701  14.203  6.1348  3.715859       10.37761 
1 1 1 -19 -34 8  o 26.520  6.8273  103.183    44.195   170.541    102.432  87.776     48.989   30.254  10.908  24.121  7.5396  6.132477       13.26035 
1 1 1 -19 -34 9  o 28.754  6.6888  119.477    45.788   132.112    110.368  116.851    50.323   27.483  10.972  27.999  7.3237  -0.5163765     13.19148 
1 1 1 -19 -34 10 o 45.483  4.7874  272.578    52.041   374.792    123.029  250.304    57.432   46.221  11.108  42.923  5.6519  3.298138       12.46313 
1 1 1 -19 -34 11 o 38.218  7.4316  212.895    66.433   217.854    116.269  210.491    80.948   34.001  11.673  36.353  9.1762  -2.351448      14.84824 
1 1 1 -19 -34 12 o 22.714  8.4335  72.428     61.931   224.947    143.833  37.716     68.618   33.370  12.750  20.077  8.4017  13.29310       15.26938 
1 1 1 -19 -34 13 o 32.287  8.6189  160.477    68.785   266.975    156.007  134.778    76.637   35.720  13.361  29.016  9.4696  6.704401       16.37642 
1 1 1 -19 -34 14 o 17.257  7.4793  10.917     57.846   189.558    148.105  -21.2394   62.837   31.674  12.687  15.841  7.2542  15.83372       14.61454 
1 1 1 -19 -34 15 o 12.397  5.5064  -6.2300    33.138   104.167    93.035   -22.2713   35.464   26.399  10.211  11.607  5.3639  14.79202       11.53409 
1 1 1 -19 -34 16 o 13.438  5.8128  1.8642     34.808   117.842    95.907   -15.7297   37.355   27.580  10.442  12.437  5.6559  15.14336       11.87504 
1 1 1 -19 -34 17 o 25.270  6.5496  89.574     40.489   106.545    100.925  86.319     44.202   26.896  10.569  24.638  7.0417  2.257654       12.69997 
1 1 1 -19 -34 18 o 36.634  6.1076  182.325    52.378   207.752    103.753  173.628    60.678   35.159  10.969  34.892  7.3966  0.2666168      13.23023 
1 1 1 -19 -34 19 o 18.637  7.0816  39.770     44.216   41.476     91.232   39.246     50.549   22.330  9.5308  19.104  7.4883  3.226637       12.12067 
1 1 1 -19 -34 20 o 18.862  7.1653  40.854     45.261   108.709    90.287   18.079     52.308   27.081  10.157  17.359  7.3039  9.721973       12.51088 
1 1 1 -19 -34 21 o 22.412  8.7952  60.352     69.802   257.588    131.721  -16.6618   82.309   37.858  12.418  18.457  8.3947  19.40023       14.98900 
1 1 1 -19 -34 22 o 21.001  8.6253  42.102     70.470   69.491     133.400  31.501     82.996   26.121  11.339  21.223  9.0752  4.897577       14.52385 
1 1 1 -19 -34 23 o 18.947  8.1428  17.319     67.424   -89.9223   135.073  52.908     77.811   20.415  9.7468  22.339  9.1061  -1.924706      13.33873 
1 1 1 -19 -34 24 o 32.670  7.3701  151.416    57.032   282.362    151.133  129.673    61.586   38.719  13.308  29.703  8.2504  9.015265       15.65799 
1 1 1 -19 -34 25 o 34.777  6.5906  166.338    53.579   175.520    100.746  162.717    63.268   32.794  10.865  33.562  7.9002  -0.7678337     13.43356 
1 1 1 -19 -34 26 o 14.510  6.4009  -4.0724    44.036   11.224     90.247   -8.8526    50.450   20.678  9.1405  15.121  6.7502  5.557094       11.36282 
1 1 1 -19 -34 27 o 21.585  7.6170  61.648     49.687   135.285    93.723   32.862     58.599   29.467  10.455  19.308  7.8901  10.15831       13.09779 
1 1 1 -19 -34 28 o 36.993  6.2525  185.621    54.122   317.267    103.832  136.510    63.418   45.614  9.6811  30.439  8.3398  15.17435       12.77793 
1 1 1 -19 -34 29 o 18.995  7.1838  41.556     45.366   42.757     92.589   41.177     52.041   22.638  9.6302  19.495  7.6100  3.142637       12.27412 
1 1 1 -19 -34 30 o 16.141  6.7393  15.296     44.010   -50.4350   95.633   32.957     49.571   18.356  8.5915  18.456  7.3578  -0.1001339     11.31154 
1 1 1 -19 -34 31 o 19.531  7.3712  44.899     47.700   -6.3565    99.171   60.326     54.407   20.516  9.2848  21.623  7.9264  -1.107517      12.20802 
1 1 1 -19 -34 32 o 19.776  7.3388  47.679     46.885   73.371     97.741   40.001     53.434   24.790  10.167  19.466  7.6772  5.324251       12.73997 
1 1 1 -19 -34 33 o 13.320  6.0961  -21.1072   44.285   68.421     95.339   -45.7379   50.007   24.319  10.015  12.865  6.0805  11.45393       11.71663 
1 1 1 -19 -34 34 o 13.480  6.2766  -33.7358   49.980   -35.3877   92.595   -33.0566   59.372   18.589  8.6174  14.897  6.9040  3.691785       11.04191 
1 1 1 -19 -34 35 f 40.642  6.4254  225.810    61.258   246.032    111.403  217.046    73.340   38.083  11.266  38.610  8.0876  -0.5263367     13.86832 
1 1 1 -19 -34 36 o 35.979  10.227  209.488    93.505   236.269    150.067  192.492    119.549  35.083  13.108  33.109  11.801  1.973961       17.63736 
1 1 1 -19 -34 37 o 32.425  10.127  170.608    88.407   303.457    147.927  96.791     110.267  39.580  13.168  26.419  10.813  13.16106       17.03847 
1 1 1 -19 -34 38 f 29.637  12.345  146.221    147.177  146.221    147.177  0.0000     0.0000   29.637  12.345  ?       ?       0.000000       12.34504 
1 1 1 -19 -34 39 o 29.850  11.461  152.430    116.561  152.430    116.561  0.0000     0.0000   29.850  11.461  ?       ?       0.000000       11.46051 
1 1 1 -19 -34 40 o 25.282  10.621  83.751     110.349  83.751     110.349  0.0000     0.0000   25.282  10.621  ?       ?       0.000000       10.62148 
1 1 1 -19 -34 41 o 13.121  6.1719  -39.1947   50.410   -125.5281  103.098  -12.0689   57.790   16.319  7.9635  15.668  7.0895  0.6511202      10.66198 
1 1 1 -19 -34 42 o 35.092  6.3238  171.753    51.865   167.601    115.022  172.813    58.108   30.370  11.450  34.587  7.1599  -4.217543      13.50433 
1 1 1 -19 -34 43 o 42.679  8.0486  272.321    80.292   246.614    205.529  276.951    87.224   32.203  14.027  42.280  8.7890  -10.07744      16.55310 
1 1 1 -19 -34 44 o 15.701  7.0434  -4.9766    55.644   10.937     187.886  -6.5066    58.258   24.504  11.641  15.919  7.1685  8.584349       13.67155 
1 1 1 -19 -34 45 o 18.213  7.7378  25.892     59.634   106.279    177.661  15.685     63.307   26.710  12.219  17.817  7.7721  8.893749       14.48168 
1 1 1 -19 -34 46 o 13.279  5.9689  -7.9480    40.177   -151.0382  108.073  15.000     43.279   15.821  7.8066  15.596  6.6071  0.2255840      10.22721 
1 1 1 -19 -34 47 o 29.528  7.1218  130.156    50.434   166.112    121.162  122.621    55.468   28.884  11.507  28.075  7.8412  0.8096924      13.92458 
1 1 1 -19 -34 48 o 21.490  7.2949  68.512     45.394   79.983     118.844  66.553     49.118   23.918  10.535  21.259  7.5656  2.659552       12.97036 
1 1 1 -19 -34 49 o 34.026  6.7862  170.355    54.062   301.755    126.519  141.004    59.796   37.571  12.161  29.712  8.0807  7.859533       14.60109 
1 1 1 -19 -34 50 o 12.715  5.8977  -22.0053   43.464   0.0000     0.0000   -22.0053   43.464   ?       ?       12.715  5.8977  0.000000       5.897680 
1 1 1 -19 -34 51 o 19.849  8.0281  51.630     59.932   0.0000     0.0000   51.630     59.932   ?       ?       19.849  8.0281  0.000000       8.028050 
1 1 1 -19 -34 52 o 22.552  8.4642  80.848     62.714   0.0000     0.0000   80.848     62.714   ?       ?       22.552  8.4642  0.000000       8.464216 
1 1 1 -19 -34 53 o 28.761  8.3674  137.240    61.909   304.544    136.142  93.624     69.512   35.782  12.610  23.692  8.9074  12.08991       15.43904 
1 1 1 -19 -34 54 o 26.271  9.3448  122.700    74.927   190.367    154.355  101.840    85.702   28.096  12.197  24.247  9.6719  3.849564       15.56659 
1 1 1 -19 -34 55 o 17.882  7.8793  19.717     66.539   89.856     145.527  1.1776     74.817   24.197  11.066  17.499  7.9761  6.698294       13.64072 
1 1 1 -19 -34 56 o 25.057  8.5001  104.358    61.631   219.107    135.531  74.443     69.200   30.426  12.154  22.065  8.7258  8.361532       14.96226 
1 1 1 -19 -34 57 o 37.267  7.8106  217.278    68.367   234.491    150.016  212.766    76.807   30.421  12.550  35.537  8.9209  -5.116165      15.39743 
1 1 1 -19 -34 58 o 11.714  5.8699  -158.6482  71.457   -250.9329  121.917  -110.3559  88.194   14.714  7.4114  14.625  7.1841  0.8889961E-01  10.32185 
1 1 1 -19 -34 59 o 22.068  9.5805  70.949     95.231   353.283    327.138  44.809     99.542   28.114  13.816  20.863  9.3846  7.251770       16.70166 
1 1 1 -19 -34 60 o 23.211  9.7560  95.425     93.169   -87.0201   359.788  108.539    96.459   23.273  11.827  24.024  9.9994  -0.7505894     15.48760 
1 1 1 -19 -33 1  o 18.366  7.1395  43.171     45.658   -28.1488   108.170  58.632     50.364   18.818  8.9089  20.231  7.5867  -1.412636      11.70156 
1 1 1 -19 -33 2  o 9.0164  4.3702  -42.8209   29.642   61.893     96.465   -53.7392   31.149   22.206  9.6414  8.8051  4.3139  13.40142       10.56250 
1 1 1 -19 -33 3  o 24.304  6.6543  87.214     40.391   122.984    99.064   80.083     44.235   26.262  10.423  23.071  7.1567  3.190273       12.64334 
1 1 1 -19 -33 4  o 40.877  5.3280  226.972    51.589   365.934    111.701  189.294    58.164   46.125  10.247  36.032  6.9040  10.09301       12.35576 
1 1 1 -19 -33 5  o 8.6786  4.2561  -54.6774   30.548   -125.5655  88.072   -44.9830   32.569   14.580  7.1656  9.5675  4.6231  5.012650       8.527509 
1 1 1 -19 -33 6  o 25.509  6.9586  95.572     44.265   160.910    106.764  82.009     48.642   29.580  11.055  23.471  7.5347  6.108299       13.37861 
1 1 1 -19 -33 7  o 56.475  4.7275  418.136    64.185   556.678    159.282  391.278    70.131   54.983  12.253  53.996  5.4264  0.9870758      13.40041 
1 1 1 -19 -33 8  o 23.606  6.8846  80.428     41.865   -40.4203   104.431  103.569    45.698   18.956  8.9060  26.705  6.9760  -7.749573      11.31289 
1 1 1 -19 -33 9  o 19.834  6.4100  54.056     35.160   103.968    103.123  47.490     37.401   26.214  10.556  18.956  6.6143  7.258015       12.45692 
1 1 1 -19 -33 10 o 22.832  6.5794  73.644     38.442   159.824    104.468  60.146     41.343   30.474  11.012  20.868  6.9623  9.605991       13.02822 
1 1 1 -19 -33 11 o 29.204  5.9772  117.190    40.928   147.440    97.535   110.725    45.090   29.820  10.656  27.964  6.7273  1.855850       12.60182 
1 1 1 -19 -33 12 o 25.256  8.0549  93.266     55.661   91.397     94.886   94.247     68.728   25.618  10.190  25.333  8.9564  0.2852936      13.56678 
1 1 1 -19 -33 13 o 23.499  8.4619  76.686     61.616   37.446     146.881  85.066     67.878   25.087  11.332  24.492  8.8723  0.5954571      14.39177 
1 1 1 -19 -33 14 f 20.363  8.0103  46.155     58.029   69.820     138.349  41.103     63.924   26.195  11.457  20.362  8.2717  5.832966       14.13061 
1 1 1 -19 -33 15 o 36.262  5.6223  175.339    47.866   245.652    165.005  168.878    50.017   35.637  13.647  35.332  6.0520  0.3052139      14.92851 
1 1 1 -19 -33 16 o 52.958  4.5127  359.685    57.434   508.827    118.642  314.036    65.638   59.382  8.4747  48.722  5.6575  10.65928       10.18955 
1 1 1 -19 -33 17 o 12.357  5.5720  -12.7492   35.338   23.563     64.973   -28.0030   42.111   19.195  8.1116  12.542  5.8131  6.653071       9.979473 
1 1 1 -19 -33 18 o 51.652  5.1917  347.396    64.186   422.779    98.242   291.253    84.783   55.072  7.5507  45.223  8.0203  9.849621       11.01532 
1 1 1 -19 -33 19 o 48.192  5.0698  301.585    58.395   333.490    107.141  288.103    69.648   46.939  9.7267  46.243  6.3769  0.6960602      11.63076 
1 1 1 -19 -33 20 o 30.243  6.8750  127.190    49.308   152.900    95.811   117.928    57.508   31.183  10.598  28.588  7.9840  2.595646       13.26888 
1 1 1 -19 -33 21 o 24.746  8.6037  85.285     63.257   12.202     92.177   150.340    86.967   21.033  9.2706  31.183  10.082  -10.15047      13.69599 
1 1 1 -19 -33 22 o 32.441  9.5289  160.048    79.949   89.073     146.804  189.973    95.324   27.966  12.017  34.677  10.459  -6.711922      15.93068 
1 1 1 -19 -33 23 o 70.706  6.4443  668.073    109.345  804.543    194.147  604.674    132.329  70.921  11.689  65.023  8.5982  5.898132       14.51108 
1 1 1 -19 -33 24 o 43.569  8.7250  275.854    89.021   343.312    162.236  246.793    106.483  43.061  13.754  39.333  10.819  3.728077       17.49917 
1 1 1 -19 -33 25 o 21.204  7.4111  58.472     46.964   44.605     91.410   63.445     54.742   22.906  9.6474  22.141  7.9755  0.7649651      12.51726 
1 1 1 -19 -33 26 o 55.529  4.6777  395.023    62.439   368.248    114.141  406.457    74.589   49.446  9.8594  55.715  5.5930  -6.268227      11.33533 
1 1 1 -19 -33 27 o 14.813  6.4734  -1.1646    44.094   62.994     90.036   -21.4077   50.574   24.035  9.7962  14.393  6.5594  9.641996       11.78940 
1 1 1 -19 -33 28 o 35.918  6.2263  173.882    52.297   -7.9619    102.238  238.324    60.862   20.931  9.4540  42.236  6.1169  -21.30488      11.26037 
1 1 1 -19 -33 29 o 72.234  4.4023  663.155    76.790   687.131    135.759  651.875    93.118   69.868  8.1619  70.757  5.4661  -0.8892288     9.823189 
1 1 1 -19 -33 30 o 40.614  5.8237  218.926    55.748   144.569    106.048  247.322    65.533   30.478  11.082  42.766  6.5218  -12.28751      12.85885 
1 1 1 -19 -33 31 o 34.914  6.7105  167.216    54.783   120.580    107.875  183.423    63.594   28.669  11.021  36.113  7.5026  -7.443808      13.33229 
1 1 1 -19 -33 32 o 34.186  7.0535  162.430    56.567   123.749    105.037  178.232    67.134   28.826  10.924  35.222  8.0332  -6.395926      13.55969 
1 1 1 -19 -33 33 o 75.762  4.5672  732.836    83.565   958.995    143.886  617.727    102.652  83.810  7.1437  68.044  6.2886  15.76597       9.517348 
1 1 1 -19 -33 34 o 48.900  5.5789  314.683    65.009   294.080    115.184  324.313    78.749   42.633  11.045  48.732  6.8490  -6.098827      12.99660 
1 1 1 -19 -33 35 o 16.462  7.0253  10.362     49.561   69.406     95.091   -11.6589   58.072   24.555  10.044  16.012  7.1881  8.543192       12.35147 
1 1 1 -19 -33 36 o 55.576  6.7450  420.634    89.092   333.162    122.210  519.852    130.157  45.154  11.207  59.057  9.3980  -13.90268      14.62598 
1 1 1 -19 -33 37 o 24.136  10.877  22.287     134.418  22.287     134.418  0.0000     0.0000   24.136  10.877  ?       ?       0.000000       10.87682 
1 1 1 -19 -33 38 o 20.641  9.7508  -62.6798   128.290  -62.6798   128.290  0.0000     0.0000   20.641  9.7508  ?       ?       0.000000       9.750797 
1 1 1 -19 -33 39 o 23.655  10.790  10.855     137.238  10.855     137.238  0.0000     0.0000   23.655  10.790  ?       ?       0.000000       10.79005 
1 1 1 -19 -33 40 o 26.243  7.9881  101.046    55.422   67.670     106.699  113.378    64.858   24.587  10.393  27.444  8.6889  -2.857111      13.54650 
1 1 1 -19 -33 41 o 27.197  6.9210  105.427    45.786   159.599    112.764  94.733     50.102   30.559  11.373  25.528  7.5560  5.030991       13.65445 
1 1 1 -19 -33 42 o 19.318  7.0201  47.691     42.544   112.390    110.449  36.418     46.102   27.125  10.924  18.286  7.1558  8.839479       13.05898 
1 1 1 -19 -33 43 o 14.628  6.3365  4.2528     41.476   199.249    111.690  -26.9379   44.670   33.221  11.439  12.901  5.9822  20.31995       12.90895 
1 1 1 -19 -33 44 o 21.541  8.1690  61.874     58.764   90.007     177.889  58.427     62.259   27.031  12.312  21.372  8.3289  5.658859       14.86476 
1 1 1 -19 -33 45 o 48.064  7.6215  337.256    85.918   722.406    207.473  257.534    94.392   58.433  14.658  39.535  9.8703  18.89789       17.67160 
1 1 1 -19 -33 46 o 31.039  6.8428  139.242    50.149   264.288    119.702  112.622    55.229   37.093  11.811  27.157  7.9037  9.936356       14.21115 
1 1 1 -19 -33 47 o 14.278  6.2402  2.7587     40.979   26.489     116.758  -0.5752    43.763   22.012  10.006  14.409  6.3675  7.603264       11.86054 
1 1 1 -19 -33 48 o 25.688  7.5783  100.652    50.470   98.291     122.048  101.139    55.432   25.278  10.910  25.494  8.0284  -0.2165203     13.54539 
1 1 1 -19 -33 49 o 22.559  7.9377  76.978     53.921   0.0000     0.0000   76.978     53.921   ?       ?       22.559  7.9377  0.000000       7.937739 
1 1 1 -19 -33 50 o 29.692  7.8335  137.860    57.253   0.0000     0.0000   137.860    57.253   ?       ?       29.692  7.8335  0.000000       7.833477 
1 1 1 -19 -33 51 o 28.278  8.9022  135.031    68.160   0.0000     0.0000   135.031    68.160   ?       ?       28.278  8.9022  0.000000       8.902203 
1 1 1 -19 -33 52 o 24.530  8.2842  97.368     58.537   320.570    137.885  48.296     64.653   37.375  12.714  19.893  8.2254  17.48255       15.14260 
1 1 1 -19 -33 53 o 24.657  8.3928  99.322     60.088   201.621    129.030  70.993     67.900   29.959  11.894  21.840  8.6414  8.119345       14.70150 
1 1 1 -19 -33 54 o 31.894  9.7208  182.752    82.033   433.607    164.667  99.944     94.609   41.482  13.895  24.305  9.9894  17.17632       17.11303 
1 1 1 -19 -33 55 o 17.112  7.6590  7.3167     65.407   19.274     153.862  4.6791     72.262   22.387  10.606  17.559  7.9380  4.828543       13.24777 
1 1 1 -19 -33 56 f 28.914  8.6775  139.637    65.740   253.222    141.037  108.109    74.306   32.532  12.575  25.171  9.2576  7.360704       15.61536 
1 1 1 -19 -33 57 o 43.012  7.0339  273.909    70.870   226.270    154.396  286.625    79.770   30.270  12.629  42.990  7.9398  -12.72012      14.91785 
1 1 1 -19 -33 58 o 24.078  8.5445  94.974     62.607   278.960    150.071  56.205     68.888   33.176  12.931  20.642  8.5086  12.53417       15.47885 
1 1 1 -19 -33 59 o 19.685  8.9412  21.337     92.982   0.0000     0.0000   21.337     92.982   ?       ?       19.685  8.9412  0.000000       8.941161 
1 1 1 -19 -33 60 o 17.755  8.3610  -20.8483   92.973   -193.6364  322.213  -5.1557    97.103   22.548  11.431  18.626  8.6983  3.922184       14.36445 
1 1 1 -19 -33 61 o 27.909  10.643  166.920    100.100  116.682    342.553  171.611    104.668  24.739  12.456  27.971  10.827  -3.232992      16.50413 
1 1 1 -19 -32 1  f 15.744  6.8221  10.698     48.106   6.9347     102.739  11.754     54.444   20.123  9.2375  16.521  7.2073  3.601843       11.71651 
1 1 1 -19 -32 2  o 37.967  7.3826  213.664    65.562   238.916    132.944  205.549    75.364   33.422  12.367  35.861  8.7407  -2.439682      15.14387 
1 1 1 -19 -32 3  o 12.341  5.5365  -8.0340    34.391   25.623     104.350  -12.1353   36.426   21.347  9.6051  12.380  5.6127  8.967647       11.12475 
1 1 1 -19 -32 4  o 37.246  5.4370  187.725    47.688   173.513    108.438  191.133    53.098   30.673  11.198  37.106  6.1103  -6.433132      12.75685 
1 1 1 -19 -32 5  o 64.584  4.3860  539.552    68.325   582.844    135.839  524.890    79.053   60.822  9.5164  62.890  5.2279  -2.067852      10.85789 
1 1 1 -19 -32 6  o 20.030  6.7650  54.845     39.037   28.587     94.301   60.276     42.884   21.321  9.3882  20.858  7.0903  0.4634056      11.76484 
1 1 1 -19 -32 7  o 52.336  4.5827  355.177    57.608   331.572    116.856  362.755    66.213   44.331  10.932  52.352  5.2848  -8.021206      12.14273 
1 1 1 -19 -32 8  o 36.672  5.1699  178.135    44.726   295.792    111.319  155.486    48.841   42.085  10.836  33.614  6.2173  8.470997       12.49318 
1 1 1 -19 -32 9  o 8.7829  4.2080  -33.1278   25.656   -118.0084  93.878   -26.2766   26.671   15.803  7.6868  9.4765  4.4673  6.326793       8.890643 
1 1 1 -19 -32 10 o 43.618  4.7573  246.880    49.533   346.156    112.000  222.741    55.228   46.976  10.125  40.827  5.7331  6.149323       11.63503 
1 1 1 -19 -32 11 o 36.960  5.0551  179.040    44.145   119.832    100.247  193.283    49.170   28.136  10.670  38.197  5.4607  -10.06099      11.98584 
1 1 1 -19 -32 12 o 31.398  5.6659  132.094    41.577   186.671    100.358  120.786    45.681   33.838  10.818  29.555  6.5429  4.282400       12.64312 
1 1 1 -19 -32 13 o 64.728  6.3378  561.020    98.263   596.898    188.914  547.713    115.051  57.688  13.700  62.563  7.7444  -4.874424      15.73744 
1 1 1 -19 -32 14 o 75.604  6.2620  760.950    113.839  852.014    215.865  725.867    133.984  70.737  13.058  72.154  7.7758  -1.417091      15.19767 
1 1 1 -19 -32 15 o 22.681  8.5148  64.684     63.473   216.841    151.704  32.396     69.884   34.986  13.158  20.400  8.5029  14.58596       15.66616 
1 1 1 -19 -32 16 o 45.508  4.9886  267.955    54.183   418.288    143.574  242.989    58.509   50.525  11.906  42.874  5.7709  7.651604       13.23122 
1 1 1 -19 -32 17 o 85.533  3.9320  918.130    81.604   962.392    137.932  894.295    101.219  84.659  6.7714  83.418  5.0242  1.240845       8.431771 
1 1 1 -19 -32 18 o 14.173  5.8143  12.195     31.978   -4.6337    69.344   16.740     36.039   17.943  7.9678  15.298  6.2121  2.644489       10.10331 
1 1 1 -19 -32 19 o 43.943  4.6223  247.419    48.546   290.203    90.300   230.028    57.573   44.976  8.5878  41.707  5.8501  3.268780       10.39101 
1 1 1 -19 -32 20 o 26.687  7.2196  99.437     47.882   135.111    90.045   85.373     56.538   29.972  10.274  24.790  8.1357  5.182093       13.10497 
1 1 1 -19 -32 21 o 74.974  4.2200  709.885    76.457   814.354    132.120  657.285    93.749   77.640  7.0915  71.194  5.4688  6.446396       8.955257 
1 1 1 -19 -32 22 o 51.290  7.3487  360.256    88.841   303.261    166.352  382.997    105.081  40.666  13.963  51.819  8.6633  -11.15294      16.43217 
1 1 1 -19 -32 23 o 14.649  6.8177  -40.0100   58.858   50.199     131.346  -62.6765   65.839   25.823  11.231  14.595  6.9213  11.22857       13.19244 
1 1 1 -19 -32 24 o 50.367  7.1888  345.697    85.363   491.402    169.745  296.376    98.759   53.862  13.112  44.917  9.3650  8.944946       16.11271 
1 1 1 -19 -32 25 o 38.494  8.4336  212.299    76.594   223.331    159.228  208.977    87.366   35.860  13.481  37.366  9.5884  -1.506844      16.54345 
1 1 1 -19 -32 26 o 35.399  6.2314  168.071    51.568   127.472    98.276   183.497    60.577   29.416  10.673  36.542  7.0878  -7.125820      12.81184 
1 1 1 -19 -32 27 o 63.009  4.5215  504.616    68.668   397.909    121.894  554.224    83.111   51.530  10.110  65.523  5.2722  -13.99313      11.40219 
1 1 1 -19 -32 28 o 18.050  6.9766  33.165     43.407   -60.2390   92.579   59.485     49.144   17.944  8.4161  21.525  7.5775  -3.580788      11.32471 
1 1 1 -19 -32 29 f 56.937  4.7241  414.261    64.675   303.240    117.184  462.893    77.557   43.928  11.014  59.747  5.4084  -15.81961      12.27067 
1 1 1 -19 -32 30 o 77.007  4.4608  752.050    82.993   743.224    139.968  756.836    103.065  73.170  8.0149  76.308  5.6057  -3.138573      9.780723 
1 1 1 -19 -32 31 o 31.044  7.4008  134.982    54.960   166.343    101.559  121.995    65.357   32.608  10.912  29.003  8.6404  3.605188       13.91882 
1 1 1 -19 -32 32 o 40.438  6.4791  220.175    61.426   269.771    109.451  197.371    74.216   41.475  10.778  37.010  8.4502  4.465389       13.69537 
1 1 1 -19 -32 33 o 18.134  7.4242  25.123     52.004   -14.7843   98.247   40.656     61.295   20.362  9.2261  20.409  8.1664  -0.4653358E-01 12.32113 
1 1 1 -19 -32 34 o 90.713  4.4557  1042.07    98.073   879.160    163.818  1133.07    122.438  78.511  8.7481  93.532  5.4182  -15.02053      10.29012 
1 1 1 -19 -32 35 o 36.688  7.1093  186.077    61.001   225.178    108.453  167.982    73.778   37.339  11.132  33.716  8.8911  3.623020       14.24676 
1 1 1 -19 -32 36 o 28.781  10.955  121.662    105.922  121.662    105.922  0.0000     0.0000   28.781  10.955  ?       ?       0.000000       10.95464 
1 1 1 -19 -32 37 o 71.201  11.800  816.638    196.716  816.638    196.716  0.0000     0.0000   71.201  11.800  ?       ?       0.000000       11.79976 
1 1 1 -19 -32 38 f 61.240  12.681  634.474    182.234  634.474    182.234  0.0000     0.0000   61.240  12.681  ?       ?       0.000000       12.68142 
1 1 1 -19 -32 39 o 20.246  8.5722  28.140     72.785   17.203     137.569  32.392     85.773   24.236  10.955  21.579  9.2265  2.657204       14.32275 
1 1 1 -19 -32 40 o 38.181  5.7248  194.466    51.401   299.349    117.285  169.532    57.185   42.604  11.198  34.845  7.0065  7.759453       13.20960 
1 1 1 -19 -32 41 o 39.706  5.8332  211.271    54.524   347.438    120.102  175.922    61.193   46.273  10.880  35.185  7.4022  11.08791       13.15922 
1 1 1 -19 -32 42 o 11.325  5.2943  -28.9526   36.131   -21.1436   100.980  -30.0991   38.692   19.863  9.1330  11.741  5.4856  8.122323       10.65381 
1 1 1 -19 -32 43 o 39.533  5.5866  209.067    52.096   127.168    117.617  229.056    58.107   28.370  11.326  41.127  5.9995  -12.75694      12.81709 
1 1 1 -19 -32 44 o 38.963  7.9969  223.129    73.069   96.088     190.255  245.109    79.139   28.037  12.756  40.605  8.3122  -12.56811      15.22527 
1 1 1 -19 -32 45 o 23.444  8.6181  78.430     64.382   359.251    184.278  39.387     68.712   39.434  14.566  20.279  8.4400  19.15535       16.83469 
1 1 1 -19 -32 46 f 59.625  6.9305  500.545    98.397   733.312    223.827  444.785    109.550  56.940  15.695  54.273  8.6060  2.667000       17.89999 
1 1 1 -19 -32 47 o 43.557  5.8108  258.762    59.882   494.058    134.632  200.733    66.859   54.307  10.597  36.763  7.7400  17.54415       13.12306 
1 1 1 -19 -32 48 o 18.331  7.2826  37.430     48.409   0.0000     0.0000   37.430     48.409   ?       ?       18.331  7.2826  0.000000       7.282629 
1 1 1 -19 -32 49 o 27.985  7.8396  120.410    55.359   0.0000     0.0000   120.410    55.359   ?       ?       27.985  7.8396  0.000000       7.839602 
1 1 1 -19 -32 50 o 12.198  5.7425  -33.8441   43.797   0.0000     0.0000   -33.8441   43.797   ?       ?       12.198  5.7425  0.000000       5.742452 
1 1 1 -19 -32 51 o 24.289  7.7185  91.108     51.144   43.739     129.697  99.830     55.654   22.820  10.440  25.176  8.0571  -2.355518      13.18750 
1 1 1 -19 -32 52 o 21.795  8.7149  67.517     69.751   82.218     123.421  60.618     84.548   24.096  10.668  21.809  9.2368  2.286472       14.11149 
1 1 1 -19 -32 53 o 16.745  7.2220  17.468     53.405   7.4713     118.917  19.993     59.771   20.826  9.6921  17.520  7.5979  3.306013       12.31521 
1 1 1 -19 -32 54 o 47.184  8.1628  346.492    90.072   424.067    149.124  301.937    113.016  43.859  13.048  39.510  11.248  4.349857       17.22739 
1 1 1 -19 -32 55 o 30.423  9.8808  167.052    83.475   373.667    159.951  89.716     97.858   38.715  13.666  23.886  10.017  14.82984       16.94398 
1 1 1 -19 -32 56 o 14.625  6.8544  -32.3790   61.217   -23.3967   142.130  -34.4249   67.831   20.980  10.012  15.291  7.1820  5.689374       12.32132 
1 1 1 -19 -32 57 o 22.985  8.3810  82.237     60.713   225.252    141.433  49.930     67.222   31.223  12.434  20.268  8.3844  10.95541       14.99700 
1 1 1 -19 -32 58 o 26.615  8.2993  114.864    59.398   45.437     140.221  130.046    65.572   22.975  10.634  27.944  8.7209  -4.969488      13.75286 
1 1 1 -19 -32 59 o 21.697  9.3909  58.146     90.947   -158.5610  321.357  77.014     94.824   23.618  11.914  22.920  9.7480  0.6978607      15.39337 
1 1 1 -19 -32 60 o 20.366  9.0825  36.890     91.088   -2.9009    331.017  40.150     94.746   24.781  12.447  20.703  9.2456  4.077599       15.50534 
1 1 1 -19 -32 61 o 43.665  11.145  375.843    118.478  842.740    361.827  319.771    125.391  34.689  16.383  37.713  12.096  -3.023788      20.36513 
1 1 1 -19 -31 1  o 56.038  5.6596  425.956    75.901   469.408    120.548  397.416    97.697   54.111  9.5295  51.481  8.0878  2.630035       12.49899 
1 1 1 -19 -31 2  o 50.835  6.6178  362.069    79.693   259.916    149.957  402.276    94.078   34.806  13.084  52.551  7.5988  -17.74465      15.13010 
1 1 1 -19 -31 3  o 66.225  4.6146  569.975    73.689   704.671    172.872  540.066    81.460   63.873  11.581  63.779  5.3122  0.9448624E-01  12.74098 
1 1 1 -19 -31 4  o 21.830  6.9824  67.194     41.802   122.291    94.553   53.809     46.603   27.595  10.386  20.227  7.3479  7.367964       12.72241 
1 1 1 -19 -31 5  o 12.036  5.4616  -13.9868   34.589   63.006     86.680   -28.5689   37.723   23.193  9.5504  11.621  5.4252  11.57119       10.98373 
1 1 1 -19 -31 6  o 49.807  4.3674  318.749    52.248   406.991    112.203  294.317    59.040   51.819  9.2639  47.284  5.2338  4.535271       10.64017 
1 1 1 -19 -31 7  o 19.632  6.2045  51.872     33.083   4.8162     98.383   57.872     35.128   20.875  9.3647  20.600  6.3756  0.2741795      11.32896 
1 1 1 -19 -31 8  o 17.223  6.3112  34.722     34.488   104.567    97.067   24.631     36.896   26.974  10.431  16.206  6.3834  10.76796       12.22910 
1 1 1 -19 -31 9  o 41.106  4.8119  218.912    47.086   233.700    110.745  215.649    52.022   37.532  11.262  40.451  5.4381  -2.918224      12.50654 
1 1 1 -19 -31 10 o 37.634  4.9161  184.063    43.818   121.683    98.153   199.590    48.969   28.558  10.614  39.002  5.3128  -10.44404      11.86970 
1 1 1 -19 -31 11 o 40.207  5.1026  210.440    48.660   197.692    139.765  212.198    51.908   34.006  12.661  40.182  5.4658  -6.175945      13.79020 
1 1 1 -19 -31 12 o 33.849  5.6770  152.096    44.975   243.348    132.579  140.230    47.810   37.630  12.464  32.138  6.3562  5.491417       13.99091 
1 1 1 -19 -31 13 o 31.062  5.9571  129.424    43.264   367.621    102.533  77.827     47.721   50.681  8.6482  23.753  7.4441  26.92770       11.41079 
1 1 1 -19 -31 14 o 38.708  8.2114  213.340    74.733   377.183    165.216  171.193    83.796   45.835  13.757  33.658  9.7182  12.17700       16.84294 
1 1 1 -19 -31 15 o 31.807  8.2658  145.280    64.377   -75.8948   129.363  218.083    74.219   20.821  9.8223  39.290  8.0556  -18.46892      12.70322 
1 1 1 -19 -31 16 o 27.859  8.5050  111.087    62.760   217.086    127.079  76.894     72.175   36.234  12.206  24.442  9.0986  11.79209       15.22406 
1 1 1 -19 -31 17 o 51.541  4.7620  339.682    58.880   427.000    149.719  323.706    64.040   51.308  12.204  49.965  5.3663  1.342514       13.33168 
1 1 1 -19 -31 18 o 24.043  6.5012  78.758     38.837   262.009    74.888   11.340     45.423   43.754  7.3120  16.150  6.8012  27.60407       9.986068 
1 1 1 -19 -31 19 o 19.484  6.5417  48.504     36.500   72.322     71.878   40.229     42.369   24.070  9.0561  18.812  6.9774  5.257509       11.43228 
1 1 1 -19 -31 20 f 32.043  6.0114  137.011    45.022   41.466     78.654   183.571    54.906   22.035  9.0883  37.039  6.3372  -15.00425      11.07963 
1 1 1 -19 -31 21 o 22.033  7.1016  64.728     43.178   118.255    88.880   48.194     49.399   28.710  10.181  20.310  7.5338  8.399818       12.66569 
1 1 1 -19 -31 22 o 27.457  6.9418  103.761    46.273   17.913     92.061   132.782    53.526   21.669  9.4135  30.972  7.2505  -9.302258      11.88210 
1 1 1 -19 -31 23 o 42.079  7.7829  245.546    76.538   212.225    148.709  257.553    89.269   35.709  13.102  42.276  8.9798  -6.566593      15.88404 
1 1 1 -19 -31 24 o 34.343  8.6492  169.753    72.033   164.583    143.683  171.488    83.251   32.727  12.681  33.963  9.6491  -1.235935      15.93450 
1 1 1 -19 -31 25 o 20.296  8.2061  36.318     62.595   -58.2158   132.626  63.410     71.000   21.810  10.179  23.270  8.9420  -1.459917      13.54850 
1 1 1 -19 -31 26 o 24.764  8.9290  80.739     68.631   27.949     151.342  94.406     77.005   26.217  11.698  26.344  9.4625  -0.1273041     15.04620 
1 1 1 -19 -31 27 o 49.011  5.0268  308.587    58.933   419.177    109.507  263.501    69.921   54.607  8.5450  44.314  6.7131  10.29256       10.86657 
1 1 1 -19 -31 28 o 25.065  7.5841  86.780     50.067   105.098    96.851   80.100     58.488   27.813  10.502  24.360  8.2804  3.453279       13.37355 
1 1 1 -19 -31 29 o 27.123  7.7180  102.956    53.220   108.422    96.218   100.546    63.882   28.048  10.493  26.736  8.6402  1.312294       13.59212 
1 1 1 -19 -31 30 o 39.520  6.2730  208.036    58.143   177.787    105.206  221.338    69.766   33.812  11.098  40.100  7.4443  -6.288177      13.36356 
1 1 1 -19 -31 31 o 16.682  7.0389  12.066     48.801   -21.8831   92.790   25.046     57.377   19.675  8.9349  18.806  7.7601  0.8696499      11.83431 
1 1 1 -19 -31 32 o 22.412  7.9289  64.627     53.872   42.850     95.226   74.877     65.331   23.354  9.8420  24.011  8.7033  -0.6573353     13.13821 
1 1 1 -19 -31 33 o 54.688  5.1743  385.368    67.843   411.836    117.311  372.067    83.161   53.240  9.4260  52.763  6.6430  0.4778557      11.53163 
1 1 1 -19 -31 34 o 33.578  7.0165  154.905    55.324   85.928     100.512  184.885    66.266   26.422  10.495  36.331  7.7533  -9.909058      13.04821 
1 1 1 -19 -31 35 o 36.344  11.299  211.058    110.189  211.058    110.189  0.0000     0.0000   36.344  11.299  ?       ?       0.000000       11.29893 
1 1 1 -19 -31 36 o 27.115  10.807  93.709     106.916  93.709     106.916  0.0000     0.0000   27.115  10.807  ?       ?       0.000000       10.80699 
1 1 1 -19 -31 37 o 72.896  8.3722  747.033    145.395  747.033    145.395  0.0000     0.0000   72.896  8.3722  ?       ?       0.000000       8.372183 
1 1 1 -19 -31 38 o 24.425  9.1373  77.709     72.969   -153.0284  129.130  185.951    88.443   18.583  9.0333  34.823  9.9635  -16.23978      13.44883 
1 1 1 -19 -31 39 o 29.444  8.2093  125.370    60.854   27.068     133.363  151.220    68.389   24.677  10.999  32.122  8.6024  -7.444952      13.96316 
1 1 1 -19 -31 40 o 33.323  5.8221  148.508    45.362   65.787     107.471  166.439    50.037   25.080  10.506  35.180  6.0819  -10.09967      12.13985 
1 1 1 -19 -31 41 o 42.820  5.4924  241.458    55.750   267.624    116.989  233.770    63.414   40.138  11.450  41.490  6.5136  -1.352081      13.17338 
1 1 1 -19 -31 42 o 16.232  6.6788  18.414     42.350   76.670     113.091  8.9123     45.674   25.731  10.778  15.802  6.7441  9.928563       12.71441 
1 1 1 -19 -31 43 o 29.543  6.9826  123.120    49.263   178.973    117.557  111.223    54.256   32.386  11.685  27.686  7.7631  4.700521       14.02836 
1 1 1 -19 -31 44 o 55.536  6.2621  417.249    82.910   737.361    139.342  241.803    103.158  71.548  8.1731  38.258  10.696  33.28987       13.46130 
1 1 1 -19 -31 45 o 12.069  5.7806  -55.4813   48.332   -3.6208    172.170  -59.9178   50.357   24.614  11.523  12.200  5.8583  12.41471       12.92681 
1 1 1 -19 -31 46 o 31.912  8.9398  158.492    71.985   382.824    193.522  122.468    77.550   40.483  14.932  27.861  9.5344  12.62220       17.71669 
1 1 1 -19 -31 47 o 63.206  5.5039  532.849    83.566   0.0000     0.0000   532.849    83.566   ?       ?       63.206  5.5039  0.000000       5.503855 
1 1 1 -19 -31 48 o 50.923  5.9200  353.200    71.782   0.0000     0.0000   353.200    71.782   ?       ?       50.923  5.9200  0.000000       5.919994 
1 1 1 -19 -31 49 o 52.488  6.0009  377.869    75.052   0.0000     0.0000   377.869    75.052   ?       ?       52.488  6.0009  0.000000       6.000913 
1 1 1 -19 -31 50 o 45.619  5.6991  284.177    61.707   423.820    140.934  251.057    68.635   47.090  12.227  41.693  7.0349  5.396675       14.10595 
1 1 1 -19 -31 51 o 34.659  6.5657  172.096    53.194   254.879    109.521  146.539    60.854   36.735  11.239  30.687  8.0665  6.047222       13.83422 
1 1 1 -19 -31 52 o 19.021  7.7793  40.129     57.028   22.409     130.925  44.278     63.354   22.207  10.278  19.766  8.1551  2.440489       13.12009 
1 1 1 -19 -31 53 o 17.776  7.5142  26.847     55.780   0.7231     121.123  33.878     62.841   20.880  9.7389  18.873  7.9766  2.007633       12.58854 
1 1 1 -19 -31 54 o 14.316  6.3528  -0.7363    44.008   -57.4692   118.390  8.3597     47.405   18.827  9.0254  15.446  6.7322  3.380589       11.25964 
1 1 1 -19 -31 55 o 13.384  6.4307  -60.7700   60.860   104.971    139.283  -99.8813   67.660   25.428  11.292  12.899  6.3275  12.52920       12.94415 
1 1 1 -19 -31 56 o 17.114  7.6813  3.2309     66.274   111.799    146.184  -24.8562   74.354   25.815  11.510  16.462  7.6621  9.353415       13.82693 
1 1 1 -19 -31 57 o 36.891  7.7595  207.647    67.256   207.888    153.186  207.589    74.856   30.177  12.584  35.899  8.6875  -5.722584      15.29172 
1 1 1 -19 -31 58 o 31.720  8.3775  161.027    65.436   111.957    147.053  173.143    73.069   25.856  11.535  32.280  8.9940  -6.424089      14.62683 
1 1 1 -19 -31 59 o 11.807  5.9296  -178.7177  74.923   -304.7542  311.375  -170.9720  77.191   22.515  11.396  12.224  6.1218  10.29123       12.93578 
1 1 1 -19 -31 60 o 15.489  7.4569  -68.3051   82.837   -258.0907  328.984  -55.4579   85.595   22.966  11.634  16.185  7.7362  6.781031       13.97092 
1 1 1 -19 -31 61 o 19.368  8.9265  8.7878     97.247   -111.3894  369.509  17.731     100.800  24.179  12.256  19.944  9.1533  4.235067       15.29721 
1 1 1 -19 -30 1  o 29.157  6.0679  118.002    41.531   214.101    90.653   92.474     46.723   35.995  10.014  25.182  7.2526  10.81363       12.36451 
1 1 1 -19 -30 2  o 27.315  7.8645  110.774    54.948   73.561     92.617   130.986    68.258   24.091  9.8904  29.075  8.8684  -4.983868      13.28417 
1 1 1 -19 -30 3  o 11.074  5.3612  -62.6355   44.307   -119.3035  94.518   -46.6761   50.159   15.797  7.6902  12.783  6.0562  3.013085       9.788566 
1 1 1 -19 -30 4  o 28.719  6.8136  116.159    46.763   250.455    124.328  94.029     50.469   37.461  12.048  25.531  7.5898  11.92999       14.23944 
1 1 1 -19 -30 5  o 24.185  6.0883  80.431     35.703   125.022    92.843   72.692     38.677   28.501  10.368  22.882  6.6011  5.619041       12.29141 
1 1 1 -19 -30 6  o 23.309  6.1024  74.449     34.919   125.986    84.767   63.916     38.322   28.768  9.9621  21.620  6.6538  7.147608       11.97983 
1 1 1 -19 -30 7  f 10.065  4.5959  -14.0529   24.980   -96.2318   88.998   -7.0251    26.026   16.139  7.7598  10.955  4.8723  5.183808       9.162609 
1 1 1 -19 -30 8  o 33.511  5.3905  148.042    42.346   105.605    103.667  156.541    46.392   27.606  10.750  34.282  5.7829  -6.676458      12.20717 
1 1 1 -19 -30 9  o 48.450  4.6267  300.420    53.731   173.981    146.815  319.975    57.737   32.734  12.781  49.901  4.8288  -17.16759      13.66258 
1 1 1 -19 -30 10 o 42.376  4.7160  230.533    47.668   397.885    102.915  184.824    53.785   53.192  8.2403  37.170  6.1806  16.02203       10.30060 
1 1 1 -19 -30 11 o 42.944  4.6137  235.923    47.321   232.938    104.876  236.686    53.026   38.599  10.782  42.711  5.2255  -4.112003      11.98198 
1 1 1 -19 -30 12 o 42.126  4.7569  227.624    47.771   258.252    105.286  219.684    53.606   41.000  10.529  40.997  5.5300  0.3265381E-02  11.89248 
1 1 1 -19 -30 13 o 30.386  6.0112  123.513    42.751   303.716    100.259  83.468     47.263   45.659  9.3639  24.618  7.3507  21.04069       11.90449 
1 1 1 -19 -30 14 o 51.788  5.4331  347.345    67.254   398.465    95.797   297.660    94.442   54.044  7.5081  45.641  8.8474  8.403271       11.60378 
1 1 1 -19 -30 15 o 46.534  8.4391  304.692    91.777   0.0000     0.0000   304.692    91.777   ?       ?       46.534  8.4391  0.000000       8.439130 
1 1 1 -19 -30 16 o 27.339  8.4494  105.345    61.721   257.764    123.494  54.595     71.260   40.059  11.864  22.566  8.8767  17.49342       14.81730 
1 1 1 -19 -30 17 o 49.687  6.6553  328.955    78.221   281.803    140.148  350.289    94.270   41.169  12.733  50.362  7.9806  -9.192959      15.02767 
1 1 1 -19 -30 18 o 28.051  6.0813  105.491    40.198   101.342    76.379   107.081    47.275   27.072  9.4518  27.929  6.9921  -0.8574982     11.75690 
1 1 1 -19 -30 19 f 21.307  6.5284  60.317     36.938   141.582    70.103   29.084     43.460   31.374  8.8338  17.706  6.9425  13.66795       11.23537 
1 1 1 -19 -30 20 o 19.365  6.5655  47.152     36.769   23.062     71.812   55.711     42.806   20.232  8.5377  20.871  7.0840  -0.6384926     11.09392 
1 1 1 -19 -30 21 o 46.734  4.9485  279.618    55.260   173.683    102.680  322.811    65.565   33.769  10.958  49.951  5.5007  -16.18270      12.26139 
1 1 1 -19 -30 22 o 25.540  7.0664  89.277     45.271   183.373    91.280   58.582     52.135   35.023  10.152  21.746  7.7886  13.27718       12.79528 
1 1 1 -19 -30 23 o 25.846  7.0436  91.443     45.379   54.155     87.616   105.112    53.048   23.761  9.6717  27.513  7.6626  -3.751478      12.33928 
1 1 1 -19 -30 24 o 32.187  8.8552  148.764    71.326   231.913    143.605  121.535    82.179   37.559  12.969  29.163  9.8157  8.395338       16.26459 
1 1 1 -19 -30 25 o 28.726  9.0167  117.283    69.982   -0.0024    143.300  154.015    80.196   24.871  11.217  32.455  9.5466  -7.584400      14.72945 
1 1 1 -19 -30 26 o 18.700  7.9932  12.398     64.338   117.195    136.777  -17.3780   72.908   30.104  12.145  17.848  8.0297  12.25677       14.55930 
1 1 1 -19 -30 27 o 34.149  6.9124  158.222    55.309   221.797    99.476   129.774    66.544   38.355  10.419  30.178  8.6447  8.176155       13.53816 
1 1 1 -19 -30 28 o 42.593  5.8670  237.511    59.025   270.149    103.840  221.932    71.742   42.604  10.183  40.172  7.6393  2.431126       12.73033 
1 1 1 -19 -30 29 o 29.658  7.7027  122.658    55.926   177.847    97.691   95.754     68.209   34.259  10.637  26.388  8.9423  7.871935       13.89633 
1 1 1 -19 -30 30 f 17.381  7.2659  15.866     51.245   -55.9878   91.661   48.535     61.806   18.180  8.4768  21.380  8.3078  -3.199747      11.86913 
1 1 1 -19 -30 31 o 23.325  8.0534  71.265     55.377   103.739    96.747   55.441     67.534   27.844  10.500  22.419  8.6918  5.425673       13.63100 
1 1 1 -19 -30 32 o 50.163  5.2629  324.189    63.102   357.754    114.991  309.726    75.483   49.347  9.9473  48.227  6.6256  1.120064       11.95189 
1 1 1 -19 -30 33 o 20.934  7.6383  52.691     50.440   80.192     95.384   42.016     59.430   25.985  10.255  20.553  8.0996  5.432032       13.06745 
1 1 1 -19 -30 34 o 49.500  10.111  362.882    117.333  362.882    117.333  0.0000     0.0000   49.500  10.111  ?       ?       0.000000       10.11073 
1 1 1 -19 -30 35 o 55.118  9.8093  443.913    126.379  443.913    126.379  0.0000     0.0000   55.118  9.8093  ?       ?       0.000000       9.809275 
1 1 1 -19 -30 36 o 34.123  9.5416  172.654    82.083   141.673    141.682  188.305    100.706  31.311  12.453  34.898  10.794  -3.587545      16.47973 
1 1 1 -19 -30 37 o 31.267  7.6625  137.159    57.680   204.768    106.789  109.310    68.538   36.083  11.108  27.674  8.9501  8.409142       14.26487 
1 1 1 -19 -30 38 o 38.553  7.5166  206.022    67.789   22.266     147.734  255.030    76.295   25.636  11.490  42.941  7.6007  -17.30481      13.77633 
1 1 1 -19 -30 39 o 32.739  8.2941  153.930    65.963   189.307    138.536  143.558    75.012   33.951  12.612  31.158  9.2508  2.793558       15.64093 
1 1 1 -19 -30 40 o 52.313  6.9254  370.534    85.745   431.628    168.112  349.052    99.686   49.459  13.590  49.409  8.6291  0.5036926E-01  16.09792 
1 1 1 -19 -30 41 o 30.261  6.3439  124.622    45.091   77.273     112.570  133.671    49.212   26.142  10.835  31.187  6.7029  -5.044516      12.74081 
1 1 1 -19 -30 42 o 21.005  7.2508  57.742     44.887   52.495     110.507  58.779     49.122   24.513  10.476  21.327  7.5685  3.185957       12.92436 
1 1 1 -19 -30 43 o 20.872  7.2290  57.166     44.636   4.4911     116.601  66.210     48.316   22.452  10.123  22.140  7.5260  0.3120689      12.61408 
1 1 1 -19 -30 44 o 23.607  7.5299  78.250     48.640   196.307    121.476  55.709     53.080   33.763  11.910  21.065  7.8103  12.69845       14.24287 
1 1 1 -19 -30 45 o 16.881  7.3846  4.0083     57.507   166.965    178.984  -14.7508   60.727   31.297  13.353  16.081  7.2728  15.21593       15.20546 
1 1 1 -19 -30 46 o 14.021  6.5931  -44.0995   57.447   0.0000     0.0000   -44.0995   57.447   ?       ?       14.021  6.5931  0.000000       6.593120 
1 1 1 -19 -30 47 o 34.444  7.3111  170.327    59.212   0.0000     0.0000   170.327    59.212   ?       ?       34.444  7.3111  0.000000       7.311094 
1 1 1 -19 -30 48 o 23.243  7.8403  77.995     52.432   0.0000     0.0000   77.995     52.432   ?       ?       23.243  7.8403  0.000000       7.840336 
1 1 1 -19 -30 49 o 10.394  5.0788  -69.0956   42.312   211.245    119.229  -109.4888  45.258   33.475  11.801  9.5354  4.7623  23.93999       12.72547 
1 1 1 -19 -30 50 o 34.290  6.6371  166.984    53.226   566.358    107.384  36.910     61.283   62.967  7.1556  19.346  8.0045  43.62072       10.73657 
1 1 1 -19 -30 51 o 14.261  6.3047  -1.2917    42.950   52.475     92.969   -15.8805   48.428   22.189  9.5492  14.037  6.4054  8.151785       11.49853 
1 1 1 -19 -30 52 o 25.083  8.3168  98.226     59.027   -16.2635   129.683  128.143    66.292   21.062  9.9047  28.152  8.7658  -7.090425      13.22663 
1 1 1 -19 -30 53 o 21.263  8.1788  62.843     59.433   170.043    133.142  36.166     66.418   29.050  11.884  19.403  8.2006  9.646360       14.43922 
1 1 1 -19 -30 54 o 15.990  7.0244  6.8855     52.523   -33.0276   144.473  12.964     56.381   21.143  10.091  16.838  7.3403  4.304790       12.47800 
1 1 1 -19 -30 55 o 22.444  8.9819  71.943     74.160   124.062    174.448  60.447     81.932   26.731  12.182  21.873  9.1687  4.858088       15.24695 
1 1 1 -19 -30 56 o 20.712  8.7231  48.185     74.727   -110.4853  173.856  84.141     82.762   20.774  10.181  23.594  9.4722  -2.819971      13.90593 
1 1 1 -19 -30 57 o 32.404  8.4470  167.000    67.093   189.643    158.903  162.087    74.014   29.476  12.579  31.168  9.1723  -1.692009      15.56824 
1 1 1 -19 -30 58 o 20.291  8.1289  51.883     60.813   146.766    160.983  36.089     65.680   27.606  12.205  19.320  8.1596  8.286312       14.68155 
1 1 1 -19 -30 59 o 14.408  7.0358  -101.3455  80.881   -198.5335  350.820  -95.8897   83.120   24.493  12.366  14.804  7.2080  9.688810       14.31327 
1 1 1 -19 -30 60 f 19.083  8.7313  3.6623     90.746   150.914    332.318  -8.2024    94.331   27.481  13.584  18.823  8.7160  8.657499       16.13952 
1 1 1 -19 -30 61 o 26.592  10.641  134.699    104.080  389.169    346.049  109.390    109.133  29.823  14.562  24.982  10.533  4.841780       17.97149 
1 1 1 -19 -29 1  o 26.934  6.1141  100.215    39.044   18.801     84.148   122.550    44.075   20.356  8.9180  29.753  6.3013  -9.397102      10.91959 
1 1 1 -19 -29 2  o 36.242  5.2357  173.459    44.706   184.420    96.124   170.433    50.501   33.556  10.573  35.432  6.0937  -1.876282      12.20329 
1 1 1 -19 -29 3  o 9.5134  4.6922  -78.0325   38.901   -219.3002  89.773   -45.3736   43.164   13.096  6.5652  11.742  5.5788  1.354647       8.615404 
1 1 1 -19 -29 4  f 7.7166  3.8209  -59.2534   26.712   79.597     99.806   -69.9672   27.724   25.515  10.346  7.5211  3.7517  17.99373       11.00515 
1 1 1 -19 -29 5  o 9.8878  4.5309  -15.0320   24.565   -45.6161   73.167   -11.1466   26.079   16.235  7.5712  10.591  4.7801  5.644185       8.953942 
1 1 1 -19 -29 6  o 38.037  4.7587  186.583    42.958   151.407    94.517   195.741    48.227   31.346  10.527  38.722  5.2699  -7.376329      11.77232 
1 1 1 -19 -29 7  o 49.888  4.3300  315.937    51.894   264.709    107.392  331.543    59.274   41.280  10.651  50.824  4.8660  -9.544014      11.70980 
1 1 1 -19 -29 8  o 57.739  4.2431  421.363    59.029   580.678    124.186  374.862    67.092   64.684  8.0894  53.909  5.1934  10.77472       9.612995 
1 1 1 -19 -29 9  o 42.267  4.8830  229.573    49.156   97.813     142.283  247.431    52.381   28.885  12.094  43.832  5.0154  -14.94707      13.09263 
1 1 1 -19 -29 10 o 14.572  5.8680  15.242     31.869   69.208     124.200  11.439     32.973   26.689  11.243  14.309  5.8910  12.38047       12.69321 
1 1 1 -19 -29 11 o 42.455  4.6725  230.172    47.336   254.330    101.786  223.505    53.470   41.136  10.238  41.468  5.4459  -0.3317757     11.59655 
1 1 1 -19 -29 12 o 34.883  4.9330  156.962    40.588   269.866    78.871   116.292    47.337   44.378  7.5978  29.194  6.8077  15.18383       10.20157 
1 1 1 -19 -29 13 o 19.438  6.2503  48.801     33.461   -7.6645    68.051   66.806     38.428   17.805  7.9005  22.313  6.6204  -4.508621      10.30764 
1 1 1 -19 -29 14 o 39.809  4.6114  202.089    43.718   163.537    80.994   217.938    51.933   33.416  9.5256  41.032  5.3429  -7.616142      10.92168 
1 1 1 -19 -29 15 o 52.783  5.3673  358.716    67.785   323.995    95.047   394.656    96.700   48.202  8.4338  53.915  7.6029  -5.712784      11.35483 
1 1 1 -19 -29 16 o 23.417  8.0217  71.705     54.894   -49.5549   109.010  112.901    63.538   20.261  9.3776  28.328  8.5375  -8.066317      12.68183 
1 1 1 -19 -29 17 o 25.633  8.3081  89.685     59.034   109.723    114.191  82.377     68.965   29.029  11.289  25.126  8.9623  3.902102       14.41399 
1 1 1 -19 -29 18 o 23.320  8.2458  69.265     58.257   109.507    108.969  53.160     68.936   28.872  11.082  22.425  8.7572  6.447323       14.12442 
1 1 1 -19 -29 19 o 50.223  4.3046  317.924    51.950   286.072    93.914   331.968    62.359   45.012  8.9141  50.945  5.1137  -5.932903      10.27671 
1 1 1 -19 -29 20 o 57.025  4.1668  408.263    57.256   428.752    100.482  398.412    69.674   56.410  7.5291  55.811  5.2051  0.5996933      9.153178 
1 1 1 -19 -29 21 o 25.623  6.3386  88.235     39.191   59.081     73.942   99.625     46.217   23.329  9.0808  27.048  6.9912  -3.719677      11.46031 
1 1 1 -19 -29 22 o 22.819  7.1944  69.112     44.502   145.293    90.274   44.656     51.148   31.611  10.276  20.227  7.6331  11.38392       12.80061 
1 1 1 -19 -29 23 o 42.442  5.2878  231.848    53.274   150.982    99.648   264.211    63.039   32.104  10.809  45.038  5.9113  -12.93429      12.31957 
1 1 1 -19 -29 24 o 34.908  8.8571  173.264    75.141   285.897    156.670  139.615    85.633   41.481  13.540  31.109  9.9983  10.37168       16.83124 
1 1 1 -19 -29 25 o 25.127  8.9236  81.859     68.300   -97.0607   150.021  128.641    76.711   22.323  10.545  30.057  9.4412  -7.734829      14.15376 
1 1 1 -19 -29 26 o 25.530  8.9832  85.657     69.061   -40.0175   142.882  123.967    78.887   23.578  10.849  29.568  9.6056  -5.990435      14.49057 
1 1 1 -19 -29 27 o 15.662  7.2386  -39.4966   64.612   -99.5250   146.248  -24.9386   72.021   21.937  10.378  17.405  7.8914  4.532244       13.03715 
1 1 1 -19 -29 28 f 48.891  5.3985  307.568    62.974   225.481    108.028  349.822    77.506   38.523  11.008  51.657  6.3151  -13.13325      12.69061 
1 1 1 -19 -29 29 o 55.690  5.0591  395.672    67.617   375.306    114.561  406.559    83.763   51.209  9.5719  55.724  6.3061  -4.514923      11.46246 
1 1 1 -19 -29 30 o 42.302  5.7609  233.053    57.593   289.598    105.531  209.069    68.731   44.472  10.020  39.132  7.5117  5.339775       12.52308 
1 1 1 -19 -29 31 o 36.243  6.5493  175.475    55.475   -22.8972   103.160  256.178    65.798   20.842  9.4478  44.068  6.3358  -23.22510      11.37560 
1 1 1 -19 -29 32 f 26.145  7.6865  94.116     52.001   38.317     98.553   115.644    61.216   23.594  9.9814  28.700  8.3120  -5.106136      12.98915 
1 1 1 -19 -29 33 o 56.572  9.3731  455.868    124.158  455.868    124.158  0.0000     0.0000   56.572  9.3731  ?       ?       0.000000       9.373101 
1 1 1 -19 -29 34 o 37.019  10.946  210.007    105.192  210.007    105.192  0.0000     0.0000   37.019  10.946  ?       ?       0.000000       10.94626 
1 1 1 -19 -29 35 o 36.979  8.5154  193.827    74.827   159.641    110.354  222.921    101.805  32.533  11.361  38.333  10.593  -5.800541      15.53326 
1 1 1 -19 -29 36 o 34.764  8.2001  170.339    68.049   93.147     142.474  193.152    77.454   28.940  12.108  36.713  8.8078  -7.772820      14.97275 
1 1 1 -19 -29 37 o 38.641  5.4105  194.177    49.337   163.878    113.514  201.234    54.781   32.752  11.518  39.077  5.9668  -6.325008      12.97149 
1 1 1 -19 -29 38 o 14.651  6.6309  -19.1718   50.589   93.385     130.613  -39.0368   54.871   28.345  11.703  14.164  6.5891  14.18084       13.43072 
1 1 1 -19 -29 39 o 39.789  7.7341  219.728    71.978   241.578    144.352  212.498    83.038   37.815  13.006  38.232  9.0852  -0.4170265     15.86466 
1 1 1 -19 -29 40 f 66.635  6.4239  587.499    102.577  1215.52    185.376  310.339    123.149  93.657  8.2413  44.305  11.392  49.35184       14.06035 
1 1 1 -19 -29 41 o 52.021  6.3043  359.198    77.951   456.050    124.199  296.247    100.129  55.916  9.4936  44.842  9.4982  11.07445       13.42925 
1 1 1 -19 -29 42 o 27.258  7.5914  104.727    52.067   346.321    177.464  81.972     54.464   42.814  14.424  24.360  7.9847  18.45361       16.48676 
1 1 1 -19 -29 43 f 9.7936  4.7195  -47.0432   33.386   -180.0064  103.879  -31.7272   35.256   15.532  7.6622  11.054  5.1873  4.478900       9.252955 
1 1 1 -19 -29 44 o 16.216  6.6924  17.276     42.681   -3.7701    111.441  20.894     46.204   21.792  9.8543  17.007  6.9843  4.785662       12.07843 
1 1 1 -19 -29 45 o 19.612  8.2282  27.827     66.078   0.0000     0.0000   27.827     66.078   ?       ?       19.612  8.2282  0.000000       8.228180 
1 1 1 -19 -29 46 o 23.815  9.0197  75.603     71.583   0.0000     0.0000   75.603     71.583   ?       ?       23.815  9.0197  0.000000       9.019694 
1 1 1 -19 -29 47 o 28.155  9.4884  122.280    76.792   0.0000     0.0000   122.280    76.792   ?       ?       28.155  9.4884  0.000000       9.488427 
1 1 1 -19 -29 48 o 48.418  5.5588  312.301    64.122   386.681    137.263  291.539    72.521   46.820  12.021  45.867  6.7152  0.9529114      13.76927 
1 1 1 -19 -29 49 o 37.693  6.4355  197.086    56.745   306.336    114.749  161.722    65.287   42.306  11.056  32.774  8.2234  9.532078       13.77876 
1 1 1 -19 -29 50 o 15.344  6.6212  7.4173     44.941   160.048    101.191  -30.0848   50.159   30.302  10.851  13.555  6.3038  16.74672       12.54931 
1 1 1 -19 -29 51 o 22.024  7.5466  69.595     48.584   21.800     111.293  80.848     54.002   21.824  9.8600  23.397  7.9565  -1.573256      12.66988 
1 1 1 -19 -29 52 o 19.321  7.7851  41.850     56.130   84.328     107.703  26.011     65.767   24.604  10.423  18.807  8.0612  5.796515       13.17667 
1 1 1 -19 -29 53 o 27.045  8.4476  115.618    61.512   165.819    146.405  104.857    67.785   28.967  12.205  25.640  8.9069  3.326899       15.10963 
1 1 1 -19 -29 54 o 18.166  7.6566  28.101     57.642   -51.4065   143.907  43.294     62.909   20.787  9.9612  19.768  8.1377  1.018751       12.86266 
1 1 1 -19 -29 55 o 23.035  9.0457  77.838     73.881   64.000     165.122  81.302     82.611   24.896  11.529  23.505  9.4539  1.391340       14.90971 
1 1 1 -19 -29 56 o 20.664  8.6880  46.767     73.924   182.562    168.108  14.212     82.310   29.222  12.708  19.234  8.6014  9.988535       15.34496 
1 1 1 -19 -29 57 o 20.996  8.1023  59.851     58.472   229.301    148.820  28.918     63.585   32.080  12.761  18.714  7.9713  13.36573       15.04643 
1 1 1 -19 -29 58 o 12.941  6.2129  -59.6171   56.555   98.702     156.695  -83.3290   60.642   25.995  11.726  12.613  6.1445  13.38188       13.23850 
1 1 1 -19 -29 59 o 23.921  8.5482  88.658     62.766   80.228     156.709  90.269     68.500   25.221  11.514  24.066  8.8825  1.155462       14.54227 
1 1 1 -19 -29 60 o 23.542  10.357  69.952     114.569  98.965     315.993  65.561     122.934  27.231  13.420  23.592  10.534  3.638821       17.06035 
1 1 1 -19 -29 61 o 39.732  11.828  318.441    122.503  869.164    310.189  216.671    133.342  43.977  18.083  31.138  12.174  12.83857       21.79890 
1 1 1 -19 -29 62 o 29.258  11.254  180.588    112.534  406.756    279.191  136.715    122.965  31.278  14.653  26.272  11.134  5.006664       18.40279 
1 1 1 -19 -28 1  o 37.649  5.0243  185.167    44.753   117.886    91.577   206.277    51.295   28.034  10.282  39.500  5.5013  -11.46580      11.66158 
1 1 1 -19 -28 2  o 25.552  6.2342  89.438     38.309   -15.3595   85.843   115.501    42.809   19.037  8.6250  29.100  6.2495  -10.06239      10.65112 
1 1 1 -19 -28 3  o 20.494  6.7760  55.346     39.192   86.333     87.525   47.574     43.832   25.703  9.9145  19.720  7.1318  5.983316       12.21311 
1 1 1 -19 -28 4  o 35.702  6.5718  172.749    54.832   291.243    125.743  144.927    60.930   42.192  11.814  31.935  7.9055  10.25774       14.21488 
1 1 1 -19 -28 5  o 44.979  4.6237  258.498    49.743   144.476    135.099  276.381    53.502   31.198  12.238  46.424  4.8200  -15.22552      13.15318 
1 1 1 -19 -28 6  f 62.305  4.0277  487.921    60.563   711.574    116.966  405.994    70.792   73.211  6.6572  56.123  5.2599  17.08750       8.484369 
1 1 1 -19 -28 7  o 51.423  4.2107  333.740    52.078   413.378    107.759  309.471    59.486   54.376  8.4411  49.084  5.0677  5.292263       9.845447 
1 1 1 -19 -28 8  o 25.688  5.9290  88.368     36.205   53.370     86.743   95.751     39.842   23.598  9.6164  26.641  6.2681  -3.043041      11.47883 
1 1 1 -19 -28 9  o 17.243  6.2317  33.961     33.458   165.656    84.416   9.4178     36.442   33.505  9.7772  14.686  6.1322  18.81976       11.54115 
1 1 1 -19 -28 10 o 35.019  5.1947  158.880    42.802   250.110    94.831   135.540    47.966   41.415  9.6207  31.773  6.4421  9.641861       11.57836 
1 1 1 -19 -28 11 o 76.740  3.9124  735.738    72.608   687.618    125.702  759.831    88.947   71.654  7.3334  77.461  4.7555  -5.806999      8.740281 
1 1 1 -19 -28 12 o 59.228  4.0263  439.566    57.519   453.231    102.050  433.204    69.634   58.046  7.4150  58.318  4.9684  -0.2716904     8.925692 
1 1 1 -19 -28 13 o 13.510  5.6044  8.1912     30.157   40.319     62.252   -1.6604    34.472   20.771  8.2565  13.292  5.7673  7.479382       10.07131 
1 1 1 -19 -28 14 o 54.786  4.0935  376.444    54.024   408.781    95.807   361.368    65.415   55.224  7.3312  53.181  5.1332  2.042542       8.949665 
1 1 1 -19 -28 15 o 50.938  4.2057  326.129    51.517   305.407    90.015   336.222    62.822   47.138  8.1658  51.309  5.1143  -4.170124      9.635186 
1 1 1 -19 -28 16 o 22.559  7.9716  63.496     54.438   -6.6448    106.390  88.375     63.361   22.001  9.8134  25.681  8.6190  -3.680092      13.06101 
1 1 1 -19 -28 17 o 16.447  7.0706  3.8527     50.870   -50.2286   102.410  21.567     58.612   19.735  9.1182  18.869  7.8193  0.8661251      12.01175 
1 1 1 -19 -28 18 o 22.666  8.2121  62.199     58.156   89.753     111.746  51.964     68.106   27.887  11.069  22.382  8.7144  5.504446       14.08786 
1 1 1 -19 -28 19 o 34.943  5.2800  157.639    43.371   170.938    79.990   152.102    51.617   34.585  9.3210  33.804  6.5294  0.7814102      11.38037 
1 1 1 -19 -28 20 o 16.162  6.2367  24.116     34.644   76.718     66.881   4.8250     40.502   24.662  8.8228  14.978  6.3704  9.684471       10.88223 
1 1 1 -19 -28 21 o 62.786  4.1216  492.874    62.443   506.113    106.898  486.017    76.932   61.771  7.2714  61.824  5.1761  -0.5268478E-01 8.925535 
1 1 1 -19 -28 22 o 76.251  4.1500  726.215    76.492   811.897    132.317  683.208    93.744   78.619  7.0098  73.290  5.3075  5.329735       8.792376 
1 1 1 -19 -28 23 o 13.322  5.9931  -15.5747   40.604   26.901     82.085   -29.3345   46.720   21.742  9.1489  13.491  6.2064  8.250980       11.05541 
1 1 1 -19 -28 24 o 17.431  7.1530  18.844     48.416   24.108     84.598   16.281     59.040   21.794  9.2354  18.539  7.7778  3.254822       12.07426 
1 1 1 -19 -28 25 o 82.008  6.2659  869.660    123.739  802.180    212.687  904.188    152.137  72.585  12.529  82.361  7.7023  -9.776360      14.70727 
1 1 1 -19 -28 26 o 53.017  7.5413  376.430    94.277   390.145    170.960  370.436    113.015  48.803  13.814  51.298  9.4271  -2.495007      16.72413 
1 1 1 -19 -28 27 o 18.921  8.2702  -0.1185    71.997   16.512     139.376  -6.1713    84.084   25.727  11.366  19.922  8.8138  5.804424       14.38321 
1 1 1 -19 -28 28 o 38.241  6.0960  191.600    54.665   146.350    99.765   211.014    65.348   31.900  10.815  39.713  7.0394  -7.813227      12.90389 
1 1 1 -19 -28 29 o 19.369  7.3498  39.192     47.589   32.481     90.898   41.725     55.856   22.832  9.6186  20.407  7.9067  2.424799       12.45122 
1 1 1 -19 -28 30 o 15.976  6.8494  4.0279     47.500   22.551     90.032   -3.1166    55.915   22.124  9.4559  16.643  7.2810  5.480370       11.93428 
1 1 1 -19 -28 31 o 23.496  7.6895  72.755     50.519   -44.3436   95.957   117.658    59.421   19.293  8.8825  29.107  8.1110  -9.813824      12.02866 
1 1 1 -19 -28 32 o 45.506  10.414  304.834    112.495  304.834    112.495  0.0000     0.0000   45.506  10.414  ?       ?       0.000000       10.41366 
1 1 1 -19 -28 33 o 49.586  9.8591  354.582    114.444  354.582    114.444  0.0000     0.0000   49.586  9.8591  ?       ?       0.000000       9.859123 
1 1 1 -19 -28 34 o 20.988  7.9762  48.119     56.099   94.582     96.011   24.033     69.127   27.354  10.425  20.138  8.4305  7.216208       13.40746 
1 1 1 -19 -28 35 o 63.328  5.0247  510.671    76.575   419.476    127.213  562.490    95.894   53.695  10.136  65.782  6.0765  -12.08693      11.81756 
1 1 1 -19 -28 36 o 74.498  4.2194  696.479    75.957   824.209    140.440  643.667    90.304   78.396  7.4735  70.943  5.2840  7.452682       9.152811 
1 1 1 -19 -28 37 o 37.132  5.6090  179.890    48.960   239.433    106.363  163.882    55.150   39.721  10.766  34.878  6.7607  4.843136       12.71309 
1 1 1 -19 -28 38 o 20.476  6.7100  54.182     38.464   8.2872     101.962  61.797     41.532   22.163  9.7605  21.668  6.9630  0.4957504      11.98956 
1 1 1 -19 -28 39 o 28.649  8.2810  115.734    60.814   181.976    134.226  98.625     68.217   34.112  12.458  26.689  8.9433  7.423433       15.33583 
1 1 1 -19 -28 40 o 49.117  7.2236  326.301    83.518   462.525    164.162  278.729    97.012   53.180  12.863  43.811  9.4070  9.369633       15.93541 
1 1 1 -19 -28 41 o 35.139  8.3783  175.845    70.428   406.920    147.080  107.098    80.224   50.333  12.176  27.615  9.6842  22.71859       15.55726 
1 1 1 -19 -28 42 o 51.334  5.4196  341.665    66.484   259.926    210.058  350.765    70.087   37.540  15.084  51.871  5.6605  -14.33149      16.11073 
1 1 1 -19 -28 43 o 20.548  7.2279  53.340     44.705   34.973     107.578  57.173     49.149   23.662  10.227  21.262  7.5679  2.400593       12.72300 
1 1 1 -19 -28 44 o 23.339  7.9488  73.693     53.898   0.0000     0.0000   73.693     53.898   ?       ?       23.339  7.9488  0.000000       7.948775 
1 1 1 -19 -28 45 o 39.042  9.3661  228.662    87.589   0.0000     0.0000   228.662    87.589   ?       ?       39.042  9.3661  0.000000       9.366105 
1 1 1 -19 -28 46 o 48.851  8.6907  347.315    99.238   0.0000     0.0000   347.315    99.238   ?       ?       48.851  8.6907  0.000000       8.690700 
1 1 1 -19 -28 47 o 20.856  8.3269  46.712     63.576   224.973    205.090  27.761     66.870   33.978  14.388  19.616  8.2561  14.36177       16.58859 
1 1 1 -19 -28 48 o 27.413  7.1670  107.371    48.208   106.468    100.419  107.641    54.955   26.941  10.556  27.125  7.8810  -0.1844711     13.17347 
1 1 1 -19 -28 49 o 30.689  6.8916  133.427    50.062   124.429    103.482  136.177    57.202   28.049  10.791  30.483  7.7242  -2.434574      13.27086 
1 1 1 -19 -28 50 o 16.991  6.9386  24.585     45.282   114.965    102.719  2.7848     50.448   27.137  10.663  15.765  6.9060  11.37159       12.70394 
1 1 1 -19 -28 51 o 14.579  6.3643  2.1755     42.513   -79.1192   97.071   21.469     47.290   17.068  8.1796  16.854  7.0071  0.2141285      10.77060 
1 1 1 -19 -28 52 o 15.629  6.6783  11.478     44.885   44.673     99.914   3.0843     50.240   22.317  9.7489  15.641  6.8706  6.676352       11.92675 
1 1 1 -19 -28 53 o 25.414  8.4248  99.943     60.571   -36.4715   144.266  129.136    66.738   21.483  10.205  28.453  8.7847  -6.970205      13.46509 
1 1 1 -19 -28 54 o 22.104  8.2089  69.961     58.682   262.140    146.402  33.174     64.053   34.573  12.941  19.153  8.0718  15.42031       15.25187 
1 1 1 -19 -28 55 o 27.769  9.5893  129.306    78.514   68.627     169.156  145.969    88.641   25.367  11.720  28.913  10.177  -3.545767      15.52183 
1 1 1 -19 -28 56 o 16.847  7.5932  -3.4772    65.544   -119.4789  159.054  20.251     71.936   20.124  9.8356  18.859  8.2543  1.264856       12.84023 
1 1 1 -19 -28 57 o 13.990  6.5790  -38.7553   57.214   128.671    146.594  -68.8418   62.143   27.273  11.863  13.366  6.4404  13.90772       13.49885 
1 1 1 -19 -28 58 o 25.881  8.8026  106.250    66.098   51.330     163.351  117.002    72.279   24.754  11.465  26.818  9.2041  -2.064127      14.70235 
1 1 1 -19 -28 59 o 18.459  7.7361  30.458     58.311   -43.2833   141.546  45.530     63.993   20.984  10.007  20.080  8.2299  0.9041004      12.95681 
1 1 1 -19 -28 60 o 19.396  9.0347  -16.9722   103.711  184.276    279.212  -49.1821   111.703  28.878  13.848  18.841  8.9584  10.03711       16.49310 
1 1 1 -19 -28 61 o 35.306  12.193  264.438    126.931  146.163    307.048  288.816    139.399  27.725  13.575  35.902  12.749  -8.176548      18.62302 
1 1 1 -19 -28 62 o 30.432  11.477  194.662    115.580  31.721     305.649  221.849    124.851  25.511  12.682  31.746  11.937  -6.234711      17.41625 
1 1 1 -19 -27 1  o 24.971  6.1922  84.940     37.333   121.754    77.850   73.945     42.544   28.727  9.5525  23.206  6.9844  5.521105       11.83350 
1 1 1 -19 -27 2  o 23.519  5.6786  74.235     32.039   18.915     78.797   85.192     35.069   20.448  8.7958  25.159  5.8546  -4.710691      10.56607 
1 1 1 -19 -27 3  o 27.413  5.5580  99.759     35.704   256.729    90.048   70.478     38.892   42.086  9.0843  22.800  6.6315  19.28578       11.24727 
1 1 1 -19 -27 4  o 8.5855  4.1733  -45.7306   27.552   53.555     94.170   -55.0255   28.813   24.052  9.9346  8.4215  4.1307  15.63040       10.75914 
1 1 1 -19 -27 5  o 61.169  5.6223  484.074    82.512   604.120    161.936  441.977    95.894   63.484  10.906  57.454  7.0251  6.030163       12.97247 
1 1 1 -19 -27 6  o 42.656  4.4139  230.741    45.023   347.948    95.921   197.621    50.989   50.176  8.1589  38.957  5.5512  11.21919       9.868329 
1 1 1 -19 -27 7  f 28.695  5.4703  108.200    36.697   149.255    86.195   99.111     40.556   31.908  10.005  27.154  6.2805  4.753864       11.81322 
1 1 1 -19 -27 8  o 51.751  4.0986  336.358    51.045   294.475    94.889   353.414    60.553   45.687  8.8796  52.735  4.7843  -7.048832      10.08651 
1 1 1 -19 -27 9  o 65.733  4.0176  540.604    63.771   619.617    121.634  510.653    74.889   67.955  7.5019  63.410  4.9055  4.544495       8.963449 
1 1 1 -19 -27 10 o 15.583  5.8678  24.437     30.189   29.246     62.745   22.988     34.437   19.907  8.1531  15.958  6.2012  3.949137       10.24343 
1 1 1 -19 -27 11 o 26.530  5.7284  93.094     35.796   98.890     72.117   91.200     41.233   26.996  9.1946  26.022  6.5385  0.9732876      11.28240 
1 1 1 -19 -27 12 o 54.005  4.0694  365.261    52.934   487.823    95.765   311.339    63.519   61.024  6.5712  49.248  5.4045  11.77565       8.508181 
1 1 1 -19 -27 13 o 82.327  3.8394  841.624    76.696   867.930    127.831  826.828    95.867   81.661  6.5054  80.882  4.9081  0.7788086      8.149237 
1 1 1 -19 -27 14 o 12.566  5.4190  -0.7203    30.066   31.945     60.233   -11.5599   34.697   19.961  8.0570  12.507  5.5897  7.453221       9.806090 
1 1 1 -19 -27 15 o 38.145  4.7250  185.025    42.797   155.768    79.794   196.839    50.707   33.064  9.4650  39.055  5.5035  -5.991207      10.94873 
1 1 1 -19 -27 16 o 71.398  4.8845  643.305    84.111   721.797    115.455  554.530    122.785  74.613  6.4404  64.189  8.0614  10.42420       10.31818 
1 1 1 -19 -27 17 o 67.260  5.8359  580.121    94.298   545.984    157.596  599.159    117.691  61.325  10.995  67.354  7.3192  -6.029247      13.20841 
1 1 1 -19 -27 18 f 55.730  7.8774  416.528    103.553  0.0000     0.0000   416.528    103.553  ?       ?       55.730  7.8774  0.000000       7.877403 
1 1 1 -19 -27 19 o 47.319  6.6501  293.354    74.246   317.523    130.117  281.686    90.409   46.049  11.639  45.322  8.5343  0.7268333      14.43302 
1 1 1 -19 -27 20 o 64.910  4.0430  524.936    63.361   521.912    107.251  526.557    78.531   63.027  7.1390  64.539  5.0552  -1.512383      8.747613 
1 1 1 -19 -27 21 o 35.235  5.4257  160.025    44.899   101.795    80.860   185.982    53.986   27.812  9.7242  37.770  6.0986  -9.957706      11.47837 
1 1 1 -19 -27 22 o 24.872  6.8175  82.600     42.368   97.939     75.103   75.440     51.313   27.265  9.3808  24.014  7.7419  3.251118       12.16290 
1 1 1 -19 -27 23 o 82.703  4.2423  852.845    84.845   870.984    137.361  841.654    107.887  81.730  6.9939  81.421  5.4931  0.3087692      8.893156 
1 1 1 -19 -27 24 f 28.990  7.5859  114.143    53.977   92.529     90.614   126.031    67.201   27.399  10.196  30.195  8.6984  -2.795837      13.40198 
1 1 1 -19 -27 25 o 32.628  10.499  151.286    94.402   0.0000     0.0000   151.286    94.402   ?       ?       32.628  10.499  0.000000       10.49893 
1 1 1 -19 -27 26 o 62.745  6.9875  515.619    104.573  563.266    191.790  495.461    124.749  60.082  13.487  60.259  8.7908  -0.1767426     16.09862 
1 1 1 -19 -27 27 o 43.787  8.8436  265.405    90.722   224.833    173.372  280.703    106.462  38.156  14.122  44.253  10.133  -6.096859      17.38111 
1 1 1 -19 -27 28 o 57.132  7.0589  429.524    95.773   574.547    170.892  363.118    115.640  62.341  11.728  50.749  9.7453  11.59187       15.24855 
1 1 1 -19 -27 29 o 70.533  4.7725  626.358    81.196   561.275    167.250  646.428    92.875   61.645  11.607  71.294  5.4092  -9.648743      12.80593 
1 1 1 -19 -27 30 o 68.892  5.4781  604.917    90.816   641.290    128.276  568.367    128.590  69.331  7.7582  64.758  8.3802  4.572647       11.42006 
1 1 1 -19 -27 31 f 25.852  10.146  73.203     92.896   73.203     92.896   0.0000     0.0000   25.852  10.146  ?       ?       0.000000       10.14591 
1 1 1 -19 -27 32 o 21.171  9.3244  -0.3775    93.081   -0.3775    93.081   0.0000     0.0000   21.171  9.3244  ?       ?       0.000000       9.324450 
1 1 1 -19 -27 33 f 89.179  4.3976  994.413    95.157   921.665    153.113  1040.19    121.462  83.108  7.6797  90.254  5.5737  -7.145851      9.489163 
1 1 1 -19 -27 34 o 53.947  5.4347  373.061    70.171   447.576    116.760  330.931    87.794   56.918  8.7332  49.600  7.5318  7.318840       11.53236 
1 1 1 -19 -27 35 o 22.179  6.8136  65.040     40.205   49.237     97.011   68.317     44.178   24.320  10.067  22.733  7.1683  1.586941       12.35870 
1 1 1 -19 -27 36 o 18.404  6.7977  37.383     40.132   72.668     102.584  31.007     43.608   26.173  10.532  18.021  6.9851  8.151796       12.63795 
1 1 1 -19 -27 37 o 64.826  4.3738  528.570    68.395   631.623    131.071  490.010    80.176   68.148  8.0843  61.838  5.3976  6.309971       9.720599 
1 1 1 -19 -27 38 o 57.185  4.5435  413.167    62.524   506.292    125.293  382.286    72.150   60.291  8.8261  54.475  5.5354  5.815956       10.41829 
1 1 1 -19 -27 39 o 30.371  8.4014  130.085    63.999   154.919    160.616  125.398    69.777   32.987  13.212  29.703  8.9457  3.283804       15.95594 
1 1 1 -19 -27 40 o 46.032  8.2938  294.513    89.228   605.278    201.965  219.145    99.461   59.974  14.114  38.183  10.437  21.79112       17.55354 
1 1 1 -19 -27 41 o 63.094  7.0763  532.180    106.466  893.911    223.133  425.551    121.146  75.167  12.686  54.408  9.5236  20.75956       15.86270 
1 1 1 -19 -27 42 f 19.301  7.4858  37.779     50.109   229.003    186.441  22.891     52.023   36.626  14.374  18.074  7.4155  18.55277       16.17399 
1 1 1 -19 -27 43 o 24.398  7.6258  81.643     50.117   0.0000     0.0000   81.643     50.117   ?       ?       24.398  7.6258  0.000000       7.625832 
1 1 1 -19 -27 44 o 21.339  7.5514  57.773     48.867   0.0000     0.0000   57.773     48.867   ?       ?       21.339  7.5514  0.000000       7.551405 
1 1 1 -19 -27 45 o 38.289  7.1313  201.727    63.814   0.0000     0.0000   201.727    63.814   ?       ?       38.289  7.1313  0.000000       7.131274 
1 1 1 -19 -27 46 o 13.834  6.4717  -41.0914   54.143   72.501     215.240  -48.7645   55.941   29.619  13.511  13.729  6.4713  15.89015       14.98108 
1 1 1 -19 -27 47 o 17.204  7.3442  12.331     54.188   117.520    120.636  -14.2575   60.651   28.551  11.445  16.202  7.3034  12.34849       13.57688 
1 1 1 -19 -27 48 o 29.565  6.9827  123.039    49.292   28.117     102.553  151.556    56.210   22.436  9.8367  32.720  7.2690  -10.28446      12.23109 
1 1 1 -19 -27 49 o 18.645  7.2900  37.278     47.815   61.846     105.387  30.910     53.656   24.264  10.297  18.565  7.5640  5.698963       12.77624 
1 1 1 -19 -27 50 o 49.533  5.4660  325.592    64.600   425.847    125.098  289.136    75.437   51.608  10.350  45.396  7.0795  6.212009       12.53980 
1 1 1 -19 -27 51 o 28.268  7.2917  116.155    50.343   156.305    110.060  105.532    56.613   30.087  11.228  26.565  8.0707  3.522045       13.82800 
1 1 1 -19 -27 52 o 19.185  7.2242  45.740     45.758   -71.7491   105.079  73.232     50.830   18.020  8.6017  22.592  7.7192  -4.571743      11.55745 
1 1 1 -19 -27 53 o 29.856  8.4306  138.372    63.755   161.114    147.877  133.180    70.659   29.367  12.314  28.836  9.0617  0.5307484      15.28915 
1 1 1 -19 -27 54 f 17.070  7.3004  17.131     53.723   -56.3958   138.687  30.111     58.273   20.661  9.8679  18.529  7.7472  2.132408       12.54566 
1 1 1 -19 -27 55 o 20.189  8.5969  37.108     73.916   166.932    163.028  3.5149     82.930   29.195  12.605  18.906  8.5295  10.28846       15.21936 
1 1 1 -19 -27 56 o 13.215  6.3715  -69.6495   61.051   -98.0395   155.963  -64.5120   66.346   20.534  9.9691  14.102  6.7591  6.432158       12.04447 
1 1 1 -19 -27 57 o 13.497  6.3700  -41.9104   54.515   30.518     158.329  -51.6518   58.065   24.063  11.193  13.546  6.4460  10.51710       12.91685 
1 1 1 -19 -27 58 o 43.467  7.2951  274.072    74.214   159.559    157.340  306.839    84.165   28.975  12.445  45.384  7.9318  -16.40897      14.75800 
1 1 1 -19 -27 59 o 22.788  8.4846  75.301     62.771   131.516    146.117  62.579     69.512   27.619  11.929  21.853  8.7126  5.766546       14.77173 
1 1 1 -19 -27 60 o 16.767  8.0945  -87.3768   99.291   -47.0857   276.008  -93.3660   106.415  25.429  12.534  17.211  8.3265  8.217676       15.04742 
1 1 1 -19 -27 61 o 22.754  10.192  48.888     116.056  180.832    291.460  24.026     126.519  28.682  13.852  22.189  10.210  6.493471       17.20801 
1 1 1 -19 -27 62 o 32.400  11.664  218.345    117.073  413.031    310.870  186.170    126.377  31.817  15.075  29.683  11.775  2.134789       19.12825 
1 1 1 -19 -26 1  o 18.335  6.0763  42.626     31.509   -21.4158   106.609  48.757     32.983   21.014  9.5561  19.371  6.2030  1.643526       11.39279 
1 1 1 -19 -26 2  o 33.255  4.8011  142.487    37.618   45.338     85.046   166.118    41.945   22.898  9.4481  35.891  4.9480  -12.99280      10.66538 
1 1 1 -19 -26 3  o 23.717  5.7145  74.981     32.496   15.567     82.644   85.847     35.343   20.819  8.9814  25.353  5.8622  -4.534410      10.72526 
1 1 1 -19 -26 4  o 47.447  5.3939  290.290    60.993   339.771    96.287   257.129    78.825   49.532  8.3056  43.290  7.7908  6.242180       11.38772 
1 1 1 -19 -26 5  o 51.386  5.8379  342.764    71.497   322.610    146.194  349.100    81.968   44.575  12.826  51.322  6.7457  -6.747852      14.49212 
1 1 1 -19 -26 6  o 35.678  6.7124  170.500    55.977   201.652    126.510  162.917    62.419   36.014  12.178  34.400  7.6734  1.614700       14.39434 
1 1 1 -19 -26 7  o 24.007  5.6335  76.328     32.251   119.590    66.726   63.141     36.839   29.188  8.7384  21.826  6.4836  7.362202       10.88101 
1 1 1 -19 -26 8  o 20.335  6.1002  54.134     32.494   75.425     85.323   50.523     35.142   25.447  9.7965  19.861  6.4072  5.585527       11.70570 
1 1 1 -19 -26 9  o 42.418  4.3200  226.909    43.843   201.797    82.021   236.955    51.877   37.721  9.0724  43.062  5.0616  -5.340664      10.38883 
1 1 1 -19 -26 10 o 63.520  3.9299  503.085    60.272   438.258    106.157  533.924    73.218   57.017  7.8842  65.090  4.6669  -8.072311      9.161884 
1 1 1 -19 -26 11 o 83.437  4.6306  874.643    93.380   997.650    130.605  746.002    133.563  87.994  6.1558  75.040  7.4332  12.95377       9.651251 
1 1 1 -19 -26 12 o 45.216  4.2469  256.742    46.048   333.794    83.896   223.521    55.088   50.234  7.0794  41.647  5.5928  8.586971       9.022080 
1 1 1 -19 -26 13 o 51.722  4.0907  334.343    50.919   366.517    89.180   318.782    62.022   52.665  7.1648  50.058  5.1814  2.606991       8.842028 
1 1 1 -19 -26 14 o 49.834  4.1507  310.607    49.732   320.333    88.289   306.087    60.189   48.932  7.6898  49.085  5.1294  -0.1531487     9.243639 
1 1 1 -19 -26 15 o 22.819  6.2941  68.777     35.980   111.626    68.000   52.116     42.401   28.587  8.8743  20.608  7.0501  7.979084       11.33390 
1 1 1 -19 -26 16 o 47.552  4.3227  283.401    49.331   396.616    87.780   231.139    59.639   55.197  6.6909  42.280  5.9803  12.91672       8.973996 
1 1 1 -19 -26 17 f 71.902  5.7016  657.892    98.656   638.871    162.696  668.953    124.068  67.549  10.248  71.504  7.2513  -3.954613      12.55414 
1 1 1 -19 -26 18 o 37.395  7.4383  187.136    65.116   220.826    116.962  172.003    78.387   38.736  11.563  35.139  9.1158  3.596687       14.72417 
1 1 1 -19 -26 19 o 57.303  6.0720  421.289    83.139   532.571    141.904  363.126    102.590  62.078  9.7416  51.885  8.4389  10.19310       12.88852 
1 1 1 -19 -26 20 o 16.986  6.3930  28.697     35.826   9.3708     67.960   36.134     42.160   19.263  8.2239  18.625  6.9498  0.6379910      10.76713 
1 1 1 -19 -26 21 o 50.085  4.6127  314.973    55.427   196.103    92.873   380.732    69.077   37.203  10.051  54.840  5.2556  -17.63737      11.34196 
1 1 1 -19 -26 22 o 51.339  4.5995  330.721    56.687   330.584    94.978   330.797    70.651   49.654  8.1673  50.845  5.8323  -1.190449      10.03595 
1 1 1 -19 -26 23 o 56.802  5.2709  408.279    71.819   443.370    143.140  396.473    83.026   55.718  10.978  55.499  6.2757  0.2186012      12.64540 
1 1 1 -19 -26 24 o 45.202  5.3091  259.852    57.121   202.396    98.321   289.125    70.179   37.648  10.413  47.302  6.2690  -9.654346      12.15429 
1 1 1 -19 -26 25 o 20.919  7.6344  49.294     50.392   -87.8973   113.224  83.182     56.272   19.759  9.2802  25.205  8.1055  -5.446251      12.32155 
1 1 1 -19 -26 26 f 49.276  7.9753  324.716    92.096   499.054    166.452  247.798    110.561  58.118  12.193  41.378  10.871  16.74022       16.33517 
1 1 1 -19 -26 27 o 35.728  9.4590  179.078    83.290   61.758     146.958  234.597    101.094  28.789  12.184  40.530  10.268  -11.74184      15.93389 
1 1 1 -19 -26 28 o 65.613  6.7782  558.862    106.358  587.910    192.401  546.080    127.632  62.152  13.168  63.733  8.4626  -1.581055      15.65258 
1 1 1 -19 -26 29 o 60.561  8.5531  495.415    122.185  495.415    122.185  0.0000     0.0000   60.561  8.5531  ?       ?       0.000000       8.553057 
1 1 1 -19 -26 30 o 22.344  9.5215  21.011     90.789   21.011     90.789   0.0000     0.0000   22.344  9.5215  ?       ?       0.000000       9.521451 
1 1 1 -19 -26 31 o 60.814  8.5643  501.477    122.875  501.477    122.875  0.0000     0.0000   60.814  8.5643  ?       ?       0.000000       8.564312 
1 1 1 -19 -26 32 o 45.103  6.0552  263.654    64.593   198.841    107.156  300.647    80.955   36.739  11.091  47.598  7.2376  -10.85883      13.24324 
1 1 1 -19 -26 33 o 42.252  5.8928  231.316    58.769   234.719    110.656  229.979    69.360   39.771  11.064  41.541  7.1385  -1.770489      13.16668 
1 1 1 -19 -26 34 o 87.167  4.1041  945.328    86.803   1184.52    151.944  829.445    105.761  95.530  6.5955  80.743  5.4298  14.78642       8.543060 
1 1 1 -19 -26 35 o 61.156  4.4348  469.779    65.360   566.516    127.487  435.286    76.125   64.592  8.3284  58.358  5.4387  6.233971       9.946958 
1 1 1 -19 -26 36 o 44.363  5.4074  252.944    57.003   462.854    130.819  203.748    63.331   57.111  9.7929  39.057  6.9368  18.05308       12.00085 
1 1 1 -19 -26 37 o 14.274  6.1703  -0.3984    39.168   68.766     114.173  -9.6240    41.698   26.677  10.970  13.950  6.1874  12.72686       12.59470 
1 1 1 -19 -26 38 o 20.402  7.1412  50.903     43.613   76.849     124.525  47.275     46.562   27.664  11.425  20.174  7.3422  7.490274       13.58093 
1 1 1 -19 -26 39 o 40.689  8.1817  229.105    77.976   249.036    190.693  225.103    85.447   38.571  14.694  39.799  9.0526  -1.227196      17.25903 
1 1 1 -19 -26 40 o 54.105  7.2932  392.278    93.307   457.708    204.653  375.108    104.837  50.486  15.346  51.964  8.6165  -1.478149      17.59982 
1 1 1 -19 -26 41 o 47.192  7.7170  303.556    85.310   285.971    199.869  307.474    94.335   40.145  15.102  46.900  8.6069  -6.755131      17.38236 
1 1 1 -19 -26 42 o 97.316  5.4934  1214.72    129.185  0.0000     0.0000   1214.72    129.185  ?       ?       97.316  5.4934  0.000000       5.493442 
1 1 1 -19 -26 43 o 49.103  6.1293  316.743    71.437   0.0000     0.0000   316.743    71.437   ?       ?       49.103  6.1293  0.000000       6.129311 
1 1 1 -19 -26 44 o 31.948  7.2250  140.786    54.695   206.238    223.180  136.603    56.416   35.525  15.024  31.323  7.5183  4.201572       16.80051 
1 1 1 -19 -26 45 o 20.316  7.4482  49.355     48.042   7.5288     121.525  57.103     52.303   23.390  10.457  21.468  7.7864  1.922041       13.03716 
1 1 1 -19 -26 46 o 16.626  7.1996  4.3789     53.505   -102.8137  127.762  27.177     58.921   19.838  9.4738  19.060  7.8643  0.7784367      12.31259 
1 1 1 -19 -26 47 o 36.732  8.0885  193.184    70.139   241.403    143.200  177.964    80.450   36.929  12.939  34.347  9.3860  2.581993       15.98492 
1 1 1 -19 -26 48 o 20.013  7.3052  49.515     46.144   -69.5509   96.720   84.602     52.504   17.826  8.4347  24.486  7.8247  -6.659891      11.50518 
1 1 1 -19 -26 49 o 30.282  7.1700  129.867    51.869   204.943    113.502  110.051    58.314   34.665  11.535  27.418  8.1600  7.246416       14.12915 
1 1 1 -19 -26 50 f 31.449  6.8635  139.061    50.903   201.682    107.242  120.849    57.833   34.390  11.201  28.645  8.0089  5.745417       13.76968 
1 1 1 -19 -26 51 o 9.6111  4.7091  -65.8985   37.140   -254.8566  92.405   -29.4914   40.560   12.644  6.3793  12.091  5.6382  0.5530014      8.513760 
1 1 1 -19 -26 52 o 18.293  7.2491  35.288     47.851   193.491    111.956  -0.0729    52.930   32.851  11.445  15.870  7.0083  16.98121       13.42007 
1 1 1 -19 -26 53 o 15.780  6.9850  -0.4308    52.882   -6.7969    137.893  0.6669     57.260   22.394  10.427  16.387  7.2604  6.006657       12.70556 
1 1 1 -19 -26 54 o 18.963  7.7087  37.073     55.568   -0.9500    140.432  44.131     60.506   22.571  10.514  19.939  8.0658  2.631569       13.25117 
1 1 1 -19 -26 55 o 25.222  9.3654  98.642     76.378   164.563    144.161  72.918     90.055   29.464  12.241  23.517  9.7145  5.947029       15.62719 
1 1 1 -19 -26 56 o 25.631  9.4283  103.499    77.074   -38.6584   169.753  140.415    86.505   22.743  10.877  28.791  10.058  -6.047976      14.81514 
1 1 1 -19 -26 57 o 42.814  9.4455  293.826    95.491   353.219    192.041  274.318    110.061  37.406  14.614  39.190  11.081  -1.783794      18.33985 
1 1 1 -19 -26 58 o 51.408  6.6628  370.769    81.155   364.374    166.494  372.762    92.944   40.276  13.961  50.274  7.8781  -9.997692      16.03028 
1 1 1 -19 -26 59 o 16.126  7.2757  -8.0005    60.355   -47.8616   143.576  0.5553     66.517   21.242  10.116  17.310  7.7375  3.931259       12.73586 
1 1 1 -19 -26 60 o 35.228  12.160  247.710    126.252  237.815    301.736  249.811    139.005  30.680  14.626  34.492  12.666  -3.812296      19.34749 
1 1 1 -19 -26 61 o 18.564  8.8485  -57.1479   110.372  -318.3900  286.241  -11.5228   119.622  22.448  11.313  20.697  9.6618  1.750790       14.87759 
1 1 1 -19 -26 62 o 20.057  9.2161  5.0649     102.605  -662.1604  294.646  97.142     109.456  ?       ?       24.832  10.513  0.000000       10.51300 
1 1 1 -19 -25 1  o 38.736  6.5232  200.045    59.132   487.869    122.242  112.121    67.563   59.048  8.8008  28.202  8.8607  30.84626       12.48862 
1 1 1 -19 -25 2  f 10.107  4.4993  -7.2117    22.244   -38.6146   68.068   -3.4572    23.536   16.164  7.4562  10.826  4.7304  5.338014       8.830153 
1 1 1 -19 -25 3  o 12.917  5.6051  -1.9017    32.568   -15.5270   70.114   1.8468     36.776   17.693  7.9237  14.042  6.0237  3.650616       9.953423 
1 1 1 -19 -25 4  o 35.943  5.0669  166.138    42.963   88.337     113.971  179.026    46.385   27.816  11.134  37.247  5.2803  -9.431654      12.32236 
1 1 1 -19 -25 5  o 24.416  7.6546  79.930     50.452   105.445    111.785  73.403     56.538   28.919  11.191  23.803  8.1410  5.115242       13.83861 
1 1 1 -19 -25 6  o 76.107  5.6889  742.319    104.296  694.351    188.289  763.550    125.269  68.049  11.833  76.308  6.8382  -8.258308      13.66684 
1 1 1 -19 -25 7  o 17.573  5.9167  37.698     29.859   70.973     58.782   26.126     34.664   23.687  8.2905  16.425  6.2632  7.261663       10.39042 
1 1 1 -19 -25 8  o 44.531  4.4982  250.203    47.937   180.476    113.148  265.457    52.922   34.912  11.512  45.745  4.8415  -10.83290      12.48844 
1 1 1 -19 -25 9  o 28.769  5.3214  107.514    35.779   45.704     66.381   132.823    42.477   21.804  8.5704  31.920  5.6931  -10.11621      10.28899 
1 1 1 -19 -25 10 o 38.152  5.7782  188.495    51.815   252.858    78.459   138.710    69.004   43.334  7.7462  31.588  8.7178  11.74581       11.66206 
1 1 1 -19 -25 11 o 60.541  3.9172  455.877    57.233   548.236    99.294   409.924    70.039   65.163  6.3611  56.894  5.1286  8.268417       8.171077 
1 1 1 -19 -25 12 o 101.399 3.8997  1272.92    95.947   1243.77    155.322  1290.90    122.008  98.272  6.5514  101.489 4.9546  -3.217026      8.213944 
1 1 1 -19 -25 13 o 64.128  3.9027  510.611    60.437   591.663    103.531  468.711    74.437   67.809  6.3670  60.947  5.0799  6.862671       8.145131 
1 1 1 -19 -25 14 o 24.328  6.1083  78.022     36.004   92.581     66.830   72.068     42.737   26.597  8.8509  23.429  6.9886  3.167906       11.27737 
1 1 1 -19 -25 15 o 30.037  5.4604  116.644    38.331   109.870    72.937   119.228    45.054   28.618  9.2305  30.089  6.3695  -1.471600      11.21486 
1 1 1 -19 -25 16 o 15.390  5.9700  20.272     31.874   6.1636     63.446   25.036     36.864   18.520  7.9274  16.685  6.4349  1.834934       10.21038 
1 1 1 -19 -25 17 o 47.593  5.6109  288.537    63.549   274.650    88.718   303.172    91.073   45.149  8.4077  47.609  8.1784  -2.459869      11.72928 
1 1 1 -19 -25 18 o 32.968  8.0098  146.881    63.441   182.230    112.231  130.282    76.907   35.815  11.439  30.893  9.4113  4.922033       14.81330 
1 1 1 -19 -25 19 o 85.252  5.7867  919.549    118.993  848.506    185.068  969.618    155.365  78.888  9.8854  86.382  7.4865  -7.493973      12.40038 
1 1 1 -19 -25 20 o 77.844  5.9961  769.346    112.383  695.260    170.655  826.080    149.338  71.140  10.176  79.457  7.8485  -8.316589      12.85138 
1 1 1 -19 -25 21 f 65.963  4.1917  540.466    66.741   486.481    107.588  574.235    85.092   61.082  7.4110  67.570  5.2308  -6.488388      9.071046 
1 1 1 -19 -25 22 o 25.057  6.8320  82.870     42.681   51.741     73.193   98.908     52.537   23.191  9.0327  27.237  7.6398  -4.045540      11.83031 
1 1 1 -19 -25 23 o 60.587  4.1611  456.116    60.801   339.049    101.498  521.634    75.932   50.235  8.6385  64.531  4.8857  -14.29641      9.924367 
1 1 1 -19 -25 24 o 78.941  4.2142  773.451    80.428   751.742    132.780  786.032    101.081  76.161  7.2736  79.070  5.2992  -2.909752      8.999274 
1 1 1 -19 -25 25 o 84.679  4.1623  887.346    85.521   899.737    140.197  880.003    107.928  83.557  6.9789  83.645  5.3457  -0.8767700E-01 8.790966 
1 1 1 -19 -25 26 o 23.339  9.1785  50.886     76.171   33.056     142.085  58.078     90.234   27.389  11.796  25.014  9.9412  2.374731       15.42644 
1 1 1 -19 -25 27 o 44.776  8.3757  270.003    87.652   328.447    164.630  246.882    103.549  46.193  13.702  41.815  10.278  4.377342       17.12900 
1 1 1 -19 -25 28 o 32.310  12.928  118.503    153.618  118.503    153.618  0.0000     0.0000   32.310  12.928  ?       ?       0.000000       12.92834 
1 1 1 -19 -25 29 o 42.598  10.189  256.593    103.900  256.593    103.900  0.0000     0.0000   42.598  10.189  ?       ?       0.000000       10.18930 
1 1 1 -19 -25 30 f 28.683  10.390  104.363    93.086   104.363    93.086   0.0000     0.0000   28.683  10.390  ?       ?       0.000000       10.39001 
1 1 1 -19 -25 31 o 65.538  4.8436  539.653    76.479   578.696    122.768  514.894    97.766   66.149  7.7988  63.172  6.4694  2.976658       10.13284 
1 1 1 -19 -25 32 o 110.811 4.2562  1525.85    114.437  1647.52    184.435  1449.68    145.923  112.961 6.7600  106.924 5.6445  6.036949       8.806721 
1 1 1 -19 -25 33 f 61.473  4.4413  473.143    65.799   555.688    131.118  445.359    76.071   64.055  8.6581  59.218  5.3521  4.836941       10.17876 
1 1 1 -19 -25 34 o 37.227  5.9302  180.157    51.769   336.163    124.611  147.613    56.913   48.002  10.942  33.098  7.2842  14.90386       13.14485 
1 1 1 -19 -25 35 o 30.636  6.2369  124.065    44.786   28.200     115.330  141.088    48.600   24.721  10.637  32.673  6.3593  -7.951654      12.39337 
1 1 1 -19 -25 36 o 45.586  5.2248  265.376    56.748   340.334    131.599  248.253    62.897   47.673  11.508  43.686  6.1001  3.987476       13.02458 
1 1 1 -19 -25 37 o 23.948  7.3008  76.464     46.268   243.216    120.161  47.436     50.134   39.995  11.663  20.539  7.5954  19.45541       13.91846 
1 1 1 -19 -25 38 o 70.794  4.4661  629.324    76.324   733.592    150.861  593.454    88.484   73.239  8.6567  68.216  5.3897  5.022842       10.19737 
1 1 1 -19 -25 39 o 28.692  8.5986  114.504    64.585   13.827     180.515  129.284    69.163   28.048  12.625  30.322  8.8505  -2.273153      15.41856 
1 1 1 -19 -25 40 o 24.167  8.7248  72.978     65.559   134.496    183.074  63.929     70.215   32.904  13.742  23.575  8.9321  9.328970       16.39017 
1 1 1 -19 -25 41 o 21.786  8.5515  47.690     66.002   0.0000     0.0000   47.690     66.002   ?       ?       21.786  8.5515  0.000000       8.551540 
1 1 1 -19 -25 42 o 24.690  7.6290  82.562     50.321   0.0000     0.0000   82.562     50.321   ?       ?       24.690  7.6290  0.000000       7.628964 
1 1 1 -19 -25 43 o 57.974  5.4760  432.622    76.117   928.395    255.673  384.407    79.733   74.050  14.748  54.207  6.1721  19.84295       15.98730 
1 1 1 -19 -25 44 o 33.194  6.8322  149.403    53.194   113.714    122.635  157.673    59.036   29.425  11.623  33.842  7.3961  -4.416887      13.77624 
1 1 1 -19 -25 45 o 18.550  7.0234  36.899     43.394   -100.9888  91.737   76.646     49.253   16.516  7.9249  23.772  7.5766  -7.255236      10.96400 
1 1 1 -19 -25 46 o 36.580  8.3621  190.977    72.602   287.254    140.363  155.811    84.831   41.185  12.744  32.213  9.8974  8.972046       16.13592 
1 1 1 -19 -25 47 o 23.673  8.3977  74.599     60.470   94.275     128.940  69.052     68.466   27.893  11.581  23.468  8.8368  4.425861       14.56776 
1 1 1 -19 -25 48 o 20.436  7.2921  52.784     45.660   -65.4699   96.175   87.193     51.879   18.000  8.4846  24.896  7.7551  -6.895775      11.49473 
1 1 1 -19 -25 49 f 22.455  7.4186  69.082     46.982   104.037    98.180   58.700     53.506   27.100  10.487  21.464  7.8616  5.636274       13.10688 
1 1 1 -19 -25 50 o 29.227  7.2342  121.546    51.027   165.098    101.745  106.911    58.981   31.716  10.918  26.997  8.2457  4.718546       13.68204 
1 1 1 -19 -25 51 f 18.858  7.1405  41.646     44.855   16.153     99.600   48.132     50.238   21.429  9.5311  19.955  7.5566  1.474602       12.16318 
1 1 1 -19 -25 52 o 23.457  7.9000  78.825     53.232   164.314    105.186  49.391     61.720   31.010  11.068  20.737  8.2280  10.27303       13.79099 
1 1 1 -19 -25 53 o 18.374  7.8253  22.011     61.258   30.093     120.247  19.179     71.188   22.998  10.333  19.088  8.2850  3.910089       13.24412 
1 1 1 -19 -25 54 o 23.755  8.6218  82.400     64.144   110.210    127.555  72.987     74.211   26.916  11.369  23.148  9.0733  3.767191       14.54613 
1 1 1 -19 -25 55 o 34.533  8.6084  184.677    71.877   74.058     139.889  224.356    83.782   25.378  11.291  37.539  9.2566  -12.16087      14.60034 
1 1 1 -19 -25 56 o 37.225  9.8898  229.322    90.846   395.211    180.040  172.658    105.223  41.114  14.500  30.983  11.068  10.13138       18.24194 
1 1 1 -19 -25 57 o 29.694  10.147  149.208    87.830   295.922    163.749  89.952     104.066  36.385  13.673  25.131  10.417  11.25444       17.18910 
1 1 1 -19 -25 58 o 22.618  8.6446  70.643     66.132   195.743    147.045  38.924     74.043   31.382  12.616  20.500  8.6610  10.88197       15.30306 
1 1 1 -19 -25 59 o 21.151  8.4094  55.058     64.594   -23.9677   146.853  74.015     71.926   22.228  10.480  23.091  8.9651  -0.8626976     13.79119 
1 1 1 -19 -25 60 o 41.370  12.233  328.092    131.374  423.970    311.695  307.380    144.871  34.938  16.057  38.364  13.032  -3.426655      20.68015 
1 1 1 -19 -25 61 o 30.370  14.565  232.687    309.125  232.687    309.125  0.0000     0.0000   30.370  14.565  ?       ?       0.000000       14.56546 
1 1 1 -19 -25 62 o 36.378  11.793  263.164    118.936  283.605    297.165  259.265    129.785  30.541  14.547  35.057  12.316  -4.515444      19.06065 
1 1 1 -19 -24 1  o 17.598  6.7311  30.713     40.113   0.0000     0.0000   30.713     40.113   ?       ?       17.598  6.7311  0.000000       6.731084 
1 1 1 -19 -24 2  f 49.199  4.4307  305.201    52.325   249.471    142.991  313.817    56.224   39.504  12.937  49.773  4.7115  -10.26872      13.76835 
1 1 1 -19 -24 3  o 26.597  5.5535  92.993     34.683   185.903    80.247   71.650     38.461   36.161  9.1410  23.172  6.5497  12.98886       11.24529 
1 1 1 -19 -24 4  o 38.950  4.7991  193.165    44.397   16.536     111.990  226.100    48.359   23.729  10.345  42.175  4.8118  -18.44560      11.40906 
1 1 1 -19 -24 5  o 18.450  6.8308  36.871     40.571   -7.7271    72.241   57.418     49.034   18.521  8.1829  21.626  7.5718  -3.104836      11.14863 
1 1 1 -19 -24 6  o 53.523  6.0140  369.822    76.751   441.216    149.852  344.434    89.361   54.411  11.698  50.832  7.4678  3.578522       13.87872 
1 1 1 -19 -24 7  o 43.326  4.5167  236.652    46.784   368.137    106.505  205.215    52.078   51.813  8.7856  39.942  5.5211  11.87067       10.37636 
1 1 1 -19 -24 8  o 75.346  3.8595  704.620    70.323   600.162    117.396  763.079    87.823   67.607  7.2707  78.020  4.6605  -10.41272      8.636155 
1 1 1 -19 -24 9  o 65.924  3.9049  539.735    62.183   473.046    103.845  577.016    77.642   60.014  7.2804  67.800  4.7495  -7.786854      8.692659 
1 1 1 -19 -24 10 o 16.612  6.1218  28.928     32.515   32.812     61.144   27.396     38.393   20.312  8.1461  17.141  6.5783  3.170622       10.47058 
1 1 1 -19 -24 11 o 39.851  4.5898  200.107    43.571   195.594    77.181   202.218    52.786   37.798  8.6080  39.702  5.6380  -1.903393      10.29006 
1 1 1 -19 -24 12 o 17.310  6.1616  33.613     32.581   80.806     61.164   14.917     38.497   25.166  8.4681  15.773  6.4146  9.392858       10.62339 
1 1 1 -19 -24 13 o 69.745  3.8662  602.197    65.173   557.160    109.386  626.983    81.149   65.622  6.9769  70.814  4.7503  -5.192787      8.440518 
1 1 1 -19 -24 14 o 43.014  4.4751  231.857    46.023   214.898    81.586   239.772    55.738   39.761  8.6986  43.442  5.4046  -3.681374      10.24084 
1 1 1 -19 -24 15 o 114.502 3.9896  1618.60    110.842  1613.98    175.274  1621.69    143.088  112.627 6.4405  113.940 5.1756  -1.313416      8.262360 
1 1 1 -19 -24 16 o 57.085  4.1167  404.554    56.638   359.298    97.151   427.855    69.711   52.214  7.9166  58.419  4.9650  -6.204769      9.344685 
1 1 1 -19 -24 17 o 43.936  4.5034  241.542    47.331   232.427    82.896   245.950    57.651   41.575  8.5041  44.011  5.5201  -2.435493      10.13864 
1 1 1 -19 -24 18 o 71.761  6.0091  652.214    103.668  523.700    159.630  745.948    136.329  61.222  11.157  75.917  7.4989  -14.69531      13.44296 
1 1 1 -19 -24 19 o 40.440  7.9819  217.498    75.541   333.508    119.806  140.938    97.326   49.053  10.389  32.374  10.677  16.67944       14.89721 
1 1 1 -19 -24 20 o 24.423  8.8794  68.403     68.076   63.462     108.493  71.611     87.430   26.934  10.834  26.033  9.9421  0.9011059      14.70435 
1 1 1 -19 -24 21 o 44.776  4.6389  251.017    49.668   175.251    85.750   289.271    60.930   35.714  9.6615  47.872  5.3363  -12.15834      11.03720 
1 1 1 -19 -24 22 o 43.146  4.7544  233.609    48.947   151.371    83.829   276.151    60.293   33.292  9.7513  46.734  5.4175  -13.44237      11.15512 
1 1 1 -19 -24 23 o 15.447  6.3493  11.645     38.226   21.730     70.689   7.4773     45.444   20.657  8.5760  16.191  6.8099  4.466539       10.95088 
1 1 1 -19 -24 24 o 43.364  5.4823  238.514    56.395   226.492    98.420   244.390    68.811   40.412  10.073  43.438  6.7477  -3.026035      12.12408 
1 1 1 -19 -24 25 o 71.528  4.4710  635.923    77.208   579.005    125.189  670.862    98.082   66.580  7.9036  72.996  5.5800  -6.415894      9.674863 
1 1 1 -19 -24 26 o 45.885  8.5708  282.195    91.916   77.125     163.895  376.288    111.018  31.089  12.995  52.935  8.9634  -21.84550      15.78659 
1 1 1 -19 -24 27 o 61.476  13.183  557.079    190.739  557.079    190.739  0.0000     0.0000   61.476  13.183  ?       ?       0.000000       13.18274 
1 1 1 -19 -24 28 f 100.276 10.930  1390.10    261.640  1390.10    261.640  0.0000     0.0000   100.276 10.930  ?       ?       0.000000       10.93034 
1 1 1 -19 -24 29 o 44.527  14.205  304.758    173.106  304.758    173.106  0.0000     0.0000   44.527  14.205  ?       ?       0.000000       14.20550 
1 1 1 -19 -24 30 o 83.173  4.4875  861.255    90.229   829.469    147.956  880.076    113.849  79.647  7.7543  83.460  5.6553  -3.813507      9.597494 
1 1 1 -19 -24 31 o 7.7981  3.8877  -75.7664   29.593   -57.6894   104.017  -77.3585   30.868   19.981  9.2170  8.0211  3.9943  11.95999       10.04528 
1 1 1 -19 -24 32 o 40.339  5.3384  207.520    50.968   225.461    120.543  203.614    56.243   39.225  11.745  39.695  6.0290  -0.4694939     13.20238 
1 1 1 -19 -24 33 o 15.387  6.4513  8.0914     40.576   183.995    113.531  -17.6677   43.445   35.713  11.516  13.755  6.1925  21.95810       13.07530 
1 1 1 -19 -24 34 o 68.043  4.4146  578.421    72.492   676.472    141.563  543.570    84.397   71.094  8.3665  65.507  5.3566  5.586342       9.934381 
1 1 1 -19 -24 35 o 82.299  4.3046  844.698    85.660   888.475    160.732  827.333    101.234  81.571  8.2336  80.956  5.1808  0.6147842      9.727908 
1 1 1 -19 -24 36 o 37.796  5.7943  185.062    51.444   211.441    122.168  179.376    56.718   37.582  11.928  36.878  6.5799  0.7046738      13.62238 
1 1 1 -19 -24 37 o 45.459  5.2724  263.887    57.076   349.624    133.786  244.810    63.108   48.410  11.551  43.374  6.1703  5.036278       13.09547 
1 1 1 -19 -24 38 o 17.445  6.8457  26.529     42.285   128.268    125.557  13.513     44.909   31.184  11.913  16.479  6.8379  14.70521       13.73607 
1 1 1 -19 -24 39 f 50.684  5.0542  326.655    61.328   450.415    139.930  297.230    68.230   55.643  10.753  47.880  6.0050  7.762978       12.31640 
1 1 1 -19 -24 40 o 19.947  8.1882  27.764     63.471   0.0000     0.0000   27.764     63.471   ?       ?       19.947  8.1882  0.000000       8.188227 
1 1 1 -19 -24 41 o 43.382  9.0994  265.319    92.726   0.0000     0.0000   265.319    92.726   ?       ?       43.382  9.0994  0.000000       9.099447 
1 1 1 -19 -24 42 o 28.200  7.6045  109.299    53.223   465.970    209.139  84.600     55.035   51.096  15.510  25.067  8.0111  26.02945       17.45631 
1 1 1 -19 -24 43 o 28.406  7.4982  111.019    52.438   60.867     132.905  120.266    57.068   27.167  11.547  29.447  7.8457  -2.280210      13.96023 
1 1 1 -19 -24 44 o 16.833  6.7359  22.490     41.702   -52.4733   86.590   45.128     47.584   17.825  8.2871  19.946  7.3951  -2.121458      11.10689 
1 1 1 -19 -24 45 o 28.981  7.0569  115.174    49.162   158.323    96.491   100.046    57.133   32.519  10.626  26.808  8.0995  5.710676       13.36112 
1 1 1 -19 -24 46 o 41.083  7.6620  233.052    73.569   286.946    146.812  214.982    85.013   41.129  13.078  38.399  9.2369  2.730133       16.01115 
1 1 1 -19 -24 47 o 9.7748  4.8642  -107.2386  45.448   104.276    121.165  -141.8694  49.027   28.396  11.439  9.4368  4.7464  18.95911       12.38505 
1 1 1 -19 -24 48 o 20.446  8.0519  43.489     58.695   65.380     139.051  38.743     64.746   26.797  11.605  20.536  8.3309  6.261139       14.28572 
1 1 1 -19 -24 49 o 29.594  7.3445  123.642    52.490   132.796    100.483  120.206    61.556   29.506  10.779  28.736  8.3387  0.7706165      13.62763 
1 1 1 -19 -24 50 o 17.962  7.1448  30.701     46.646   103.961    97.253   8.8116     53.160   27.020  10.443  16.776  7.2204  10.24337       12.69607 
1 1 1 -19 -24 51 o 26.187  8.0858  100.005    56.540   161.004    105.812  75.628     66.889   31.211  11.105  23.620  8.7656  7.590725       14.14741 
1 1 1 -19 -24 52 o 22.215  8.1130  66.378     56.924   94.784     102.417  53.681     68.474   26.073  10.513  21.607  8.6366  4.466011       13.60528 
1 1 1 -19 -24 53 o 19.956  8.0155  42.783     59.294   199.004    120.740  -6.8661    68.067   33.072  11.852  17.262  7.7631  15.80992       14.16810 
1 1 1 -19 -24 54 o 40.322  7.5502  235.424    71.154   341.587    142.276  200.015    82.167   42.031  12.800  35.435  9.4015  6.596760       15.88162 
1 1 1 -19 -24 55 o 18.784  7.8977  28.396     61.090   265.528    126.647  -43.5090   69.739   37.324  12.173  15.514  7.2853  21.81006       14.18652 
1 1 1 -19 -24 56 o 28.299  9.7856  130.725    81.774   215.397    160.276  100.926    95.081   32.258  13.100  25.790  10.219  6.468460       16.61437 
1 1 1 -19 -24 57 o 21.515  8.9298  50.450     76.614   98.819     165.400  37.237     86.447   27.106  12.152  21.255  9.1775  5.851013       15.22855 
1 1 1 -19 -24 58 o 20.090  8.1395  43.892     61.719   -14.8405   133.640  59.815     69.585   21.923  10.227  21.885  8.7198  0.3715897E-01  13.43941 
1 1 1 -19 -24 59 o 16.887  7.4263  5.3360     58.837   -64.0043   132.220  22.457     65.701   20.308  9.6815  18.754  8.0483  1.554361       12.58993 
1 1 1 -19 -24 60 f 21.181  9.5648  14.287     104.574  380.371    262.353  -54.8648   114.024  35.681  15.686  19.220  9.1128  16.46101       18.14124 
1 1 1 -19 -24 61 f 23.615  11.849  -267.3250  295.796  -267.3250  295.796  0.0000     0.0000   23.615  11.849  ?       ?       0.000000       11.84892 
1 1 1 -19 -24 62 o 29.011  11.000  155.706    106.545  -103.1922  340.025  183.894    112.195  25.744  12.887  30.881  11.373  -5.136070      17.18748 
1 1 1 -19 -23 1  o 24.740  7.1040  82.359     44.888   0.0000     0.0000   82.359     44.888   ?       ?       24.740  7.1040  0.000000       7.103997 
1 1 1 -19 -23 2  o 38.123  4.7741  184.953    43.193   127.187    122.134  193.210    46.177   30.954  11.768  38.887  5.0104  -7.933220      12.78990 
1 1 1 -19 -23 3  o 68.652  3.9441  586.805    65.425   463.623    117.791  641.760    78.676   58.290  8.5854  71.502  4.5586  -13.21255      9.720595 
1 1 1 -19 -23 4  o 25.904  5.4577  87.784     33.221   148.554    72.577   71.676     37.365   32.588  8.9189  23.244  6.4151  9.343397       10.98637 
1 1 1 -19 -23 5  o 27.040  5.3891  95.217     34.117   124.344    74.455   87.475     38.384   29.980  9.2825  25.681  6.2248  4.299353       11.17639 
1 1 1 -19 -23 6  o 37.939  6.5123  188.864    57.791   103.721    99.455   232.268    71.009   28.769  10.686  41.814  7.2625  -13.04436      12.92044 
1 1 1 -19 -23 7  o 23.310  7.4919  70.208     48.081   40.980     82.575   85.200     59.140   23.005  9.3795  25.514  8.3183  -2.508896      12.53673 
1 1 1 -19 -23 8  o 61.423  3.9409  468.377    58.425   340.150    98.249   538.528    72.669   50.314  8.3398  65.619  4.5931  -15.30499      9.520932 
1 1 1 -19 -23 9  o 30.164  5.3020  117.110    37.389   117.731    65.981   116.816    45.378   29.468  8.6568  29.771  6.4670  -0.3034477     10.80567 
1 1 1 -19 -23 10 o 30.131  5.3620  116.854    37.765   84.461     62.932   135.084    47.210   25.688  8.5899  32.154  6.2763  -6.466146      10.63855 
1 1 1 -19 -23 11 f 51.518  4.1459  330.133    51.387   344.572    86.942   322.380    63.705   51.443  7.1594  50.525  5.2741  0.9176559      8.892319 
1 1 1 -19 -23 12 o 115.240 4.0057  1638.91    112.009  1561.05    176.462  1691.45    144.954  110.707 6.5992  116.444 5.1304  -5.736435      8.358799 
1 1 1 -19 -23 13 o 28.744  5.7492  107.032    38.697   120.856    68.279   100.491    46.969   29.997  8.8046  27.568  7.0069  2.428682       11.25242 
1 1 1 -19 -23 14 o 57.517  4.0276  409.787    55.854   467.021    94.063   378.616    69.417   60.463  6.5145  54.868  5.2793  5.594166       8.385045 
1 1 1 -19 -23 15 o 13.110  5.7071  -4.4041    33.978   -10.7529   59.916   -1.3945    41.252   16.993  7.4828  14.732  6.3505  2.260495       9.814370 
1 1 1 -19 -23 16 o 79.105  3.8624  770.004    74.135   793.436    120.081  755.572    94.239   79.158  6.3042  77.836  5.0165  1.321884       8.056586 
1 1 1 -19 -23 17 o 11.340  5.3101  -35.0242   36.599   2.0076     57.566   -60.1466   47.415   17.578  7.5382  12.107  5.7789  5.470349       9.498470 
1 1 1 -19 -23 18 o 16.127  7.2232  -20.7853   58.280   39.375     92.959   -59.7454   74.808   24.230  9.9236  16.500  7.6817  7.729593       12.54937 
1 1 1 -19 -23 19 o 47.172  6.9265  286.851    76.917   320.850    126.059  266.685    97.085   48.017  11.049  44.471  9.2965  3.545883       14.43993 
1 1 1 -19 -23 20 o 41.108  7.2761  220.274    69.920   209.990    121.683  225.342    85.432   38.761  11.845  40.987  8.8495  -2.226006      14.78539 
1 1 1 -19 -23 21 o 40.214  5.6666  205.457    53.759   289.623    117.565  183.205    60.449   45.723  10.774  37.541  6.8902  8.181858       12.78860 
1 1 1 -19 -23 22 o 38.084  5.4092  183.893    48.580   118.186    79.490   223.064    61.376   30.027  9.6312  41.737  6.2530  -11.70967      11.48304 
1 1 1 -19 -23 23 o 49.127  4.9770  302.245    58.508   223.640    93.025   353.687    75.256   40.532  9.6057  52.838  5.9749  -12.30543      11.31229 
1 1 1 -19 -23 24 o 18.844  7.5009  26.508     51.446   -8.4450    84.480   47.110     64.859   20.371  8.9298  22.228  8.5454  -1.856983      12.35982 
1 1 1 -19 -23 25 o 16.792  7.1998  1.3891     52.496   48.176     87.652   -24.7802   65.554   24.359  9.7590  16.960  7.6236  7.398996       12.38373 
1 1 1 -19 -23 26 o 84.145  7.0274  904.779    142.165  904.779    142.165  0.0000     0.0000   84.145  7.0274  ?       ?       0.000000       7.027409 
1 1 1 -19 -23 27 o 28.393  12.066  41.624     145.070  41.624     145.070  0.0000     0.0000   28.393  12.066  ?       ?       0.000000       12.06589 
1 1 1 -19 -23 28 o 43.650  14.049  283.429    169.036  283.429    169.036  0.0000     0.0000   43.650  14.049  ?       ?       0.000000       14.04934 
1 1 1 -19 -23 29 o 31.375  10.062  132.249    86.758   267.006    157.231  73.259     104.027  42.501  13.536  27.258  10.724  15.24360       17.26960 
1 1 1 -19 -23 30 o 119.086 4.2295  1753.43    122.212  1992.52    201.912  1615.20    153.530  125.052 6.6785  113.512 5.5742  11.53960       8.699134 
1 1 1 -19 -23 31 o 51.629  4.8421  334.439    59.950   512.835    127.933  284.241    67.862   61.991  8.7484  47.109  6.0787  14.88216       10.65294 
1 1 1 -19 -23 32 o 23.433  6.9012  71.752     41.886   30.361     113.139  78.326     45.090   25.110  10.663  24.417  7.1515  0.6934795      12.83900 
1 1 1 -19 -23 33 o 13.639  6.0032  -7.7498    38.521   -30.9396   111.790  -4.6253    41.034   21.916  9.8938  14.355  6.2598  7.561359       11.70774 
1 1 1 -19 -23 34 o 60.054  4.6285  451.601    66.924   550.342    138.531  421.540    76.435   63.615  9.2454  57.626  5.5346  5.988544       10.77541 
1 1 1 -19 -23 35 o 21.704  7.1020  59.646     43.095   126.789    113.957  48.441     46.553   31.155  11.464  20.501  7.3580  10.65431       13.62189 
1 1 1 -19 -23 36 o 44.832  4.9751  254.659    53.207   152.356    114.880  282.598    60.035   33.026  11.588  47.104  5.3474  -14.07786      12.76255 
1 1 1 -19 -23 37 o 24.638  7.2159  80.863     45.906   140.710    110.722  68.440     50.446   31.946  11.360  23.125  7.6896  8.821102       13.71789 
1 1 1 -19 -23 38 o 35.226  6.1589  162.540    50.724   226.305    119.232  148.450    56.049   38.855  11.692  33.234  7.1618  5.620785       13.71109 
1 1 1 -19 -23 39 o 72.890  5.2170  673.342    91.658   0.0000     0.0000   673.342    91.658   ?       ?       72.890  5.2170  0.000000       5.216974 
1 1 1 -19 -23 40 o 52.807  8.4354  380.647    104.447  0.0000     0.0000   380.647    104.447  ?       ?       52.807  8.4354  0.000000       8.435369 
1 1 1 -19 -23 41 o 20.636  8.3906  33.036     65.854   0.0000     0.0000   33.036     65.854   ?       ?       20.636  8.3906  0.000000       8.390627 
1 1 1 -19 -23 42 o 26.233  7.4581  93.546     49.719   83.521     147.897  94.823     52.791   29.318  12.306  26.381  7.7415  2.936953       14.53823 
1 1 1 -19 -23 43 o 24.139  7.4938  78.051     48.488   15.664     92.029   102.025    57.049   21.892  9.4610  27.230  8.0636  -5.337591      12.43108 
1 1 1 -19 -23 44 o 49.521  4.9693  312.589    58.905   286.609    109.655  323.127    69.836   44.034  10.425  49.889  5.8823  -5.854622      11.96964 
1 1 1 -19 -23 45 o 82.048  4.3623  846.232    86.533   799.428    147.717  870.686    106.772  76.620  8.0667  82.501  5.3629  -5.881233      9.686702 
1 1 1 -19 -23 46 o 40.452  8.1266  228.335    76.996   408.229    155.841  170.241    88.561   50.038  12.788  33.811  10.055  16.22747       16.26711 
1 1 1 -19 -23 47 o 37.301  8.1930  196.503    72.124   207.112    155.238  193.583    81.448   35.353  13.307  36.372  9.2173  -1.019798      16.18785 
1 1 1 -19 -23 48 o 20.337  8.3940  32.775     67.155   15.436     127.036  39.499     79.113   24.035  10.722  21.850  9.0720  2.184671       14.04475 
1 1 1 -19 -23 49 o 13.255  6.2230  -42.4849   50.832   -204.4990  98.632   16.111     59.316   14.453  7.1878  18.177  7.7197  -3.724531      10.54790 
1 1 1 -19 -23 50 o 14.340  6.5251  -19.9010   49.810   -23.6227   91.330   -18.3254   59.426   19.157  8.7629  15.814  7.1693  3.343441       11.32198 
1 1 1 -19 -23 51 o 28.002  8.1120  114.584    58.298   129.587    108.279  108.459    69.181   28.977  11.065  27.057  9.0053  1.920576       14.26623 
1 1 1 -19 -23 52 o 44.499  6.3307  269.283    66.427   304.339    116.838  252.540    80.747   42.708  11.154  41.532  8.3029  1.175255       13.90466 
1 1 1 -19 -23 53 o 25.612  8.6804  97.401     64.272   219.834    128.829  56.829     74.161   34.496  12.255  22.147  8.9399  12.34887       15.16942 
1 1 1 -19 -23 54 o 55.700  6.2345  422.748    82.815   424.605    162.700  422.099    96.211   46.281  13.593  54.407  7.4862  -8.126595      15.51843 
1 1 1 -19 -23 55 o 24.945  8.7411  93.017     65.353   88.338     130.691  94.577     75.466   26.070  11.271  25.159  9.3159  0.9113045      14.62227 
1 1 1 -19 -23 56 o 13.954  6.7322  -79.1651   68.427   -149.6737  139.330  -56.7533   78.553   18.723  9.1626  16.001  7.5800  2.722586       11.89156 
1 1 1 -19 -23 57 o 16.558  7.6952  -33.0611   74.554   146.916    148.976  -93.1965   86.114   29.128  12.295  15.553  7.5157  13.57528       14.40983 
1 1 1 -19 -23 58 o 11.680  5.7591  -107.0496  58.474   50.605     126.599  -149.8041  65.928   24.177  10.750  11.557  5.7683  12.62000       12.19954 
1 1 1 -19 -23 59 o 17.242  7.5087  9.8396     58.868   22.414     138.365  7.0604     65.049   23.574  10.784  17.711  7.7979  5.863697       13.30824 
1 1 1 -19 -23 60 o 20.053  9.2722  -17.1332   106.196  8.9948     352.344  -19.7438   111.375  28.475  14.059  20.325  9.4324  8.149904       16.92986 
1 1 1 -19 -23 61 o 33.460  11.817  214.171    119.616  -52.8278   368.065  245.700    126.482  27.525  13.720  35.410  12.174  -7.885204      18.34291 
1 1 1 -19 -23 62 o 24.552  10.458  84.010     109.433  -499.0718  368.652  140.354    114.598  ?       ?       27.965  11.175  0.000000       11.17469 
1 1 1 -19 -22 1  o 17.623  6.2625  35.640     33.644   0.0000     0.0000   35.640     33.644   ?       ?       17.623  6.2625  0.000000       6.262545 
1 1 1 -19 -22 2  o 27.444  6.3850  100.178    41.718   -79.5481   104.826  133.999    45.474   19.044  8.9396  31.941  6.0898  -12.89709      10.81668 
1 1 1 -19 -22 3  o 43.023  4.1835  231.969    43.120   289.897    80.243   208.450    51.129   46.758  7.3124  40.353  5.3540  6.404289       9.062906 
1 1 1 -19 -22 4  o 26.754  5.5706  93.440     34.987   87.799     73.268   95.106     39.820   26.293  9.2527  26.817  6.2373  -0.5241642     11.15869 
1 1 1 -19 -22 5  o 12.009  5.0051  4.7451     24.212   37.751     48.077   -6.4704    28.026   19.429  7.3839  11.611  5.1151  7.818166       8.982550 
1 1 1 -19 -22 6  o 46.120  5.8113  272.316    63.588   300.750    109.675  257.918    78.044   46.327  10.046  44.097  7.5665  2.229839       12.57694 
1 1 1 -19 -22 7  o 46.276  5.9431  274.316    65.190   270.709    111.414  276.194    80.387   43.687  10.615  45.755  7.5008  -2.068024      12.99776 
1 1 1 -19 -22 8  o 60.085  3.8816  447.117    56.288   378.952    94.544   484.545    70.058   53.842  7.4353  62.281  4.6699  -8.439579      8.780169 
1 1 1 -19 -22 9  o 42.864  4.3047  229.447    44.166   199.331    73.696   246.326    55.171   38.572  8.1306  44.129  5.2559  -5.557716      9.681426 
1 1 1 -19 -22 10 o 78.567  3.7375  759.617    71.249   754.722    114.251  762.732    91.144   77.171  6.1527  78.223  4.8256  -1.051262      7.819351 
1 1 1 -19 -22 11 o 92.445  3.8561  1052.00    86.495   905.884    138.335  1145.79    110.831  84.261  6.8248  96.118  4.7521  -11.85732      8.316290 
1 1 1 -19 -22 12 o 11.874  5.2900  -10.8517   30.815   -2.5665    55.982   -14.4532   36.910   17.005  7.3638  12.845  5.7510  4.159719       9.343463 
1 1 1 -19 -22 13 o 8.9234  4.3200  -46.4565   28.765   -86.7434   51.001   -27.6630   34.834   11.626  5.6576  11.449  5.2996  0.1777639      7.752009 
1 1 1 -19 -22 14 o 25.249  6.3006  83.106     38.476   138.167    65.265   53.775     47.634   32.180  8.3031  21.455  7.4657  10.72554       11.16592 
1 1 1 -19 -22 15 o 81.774  3.9801  822.381    78.973   656.688    124.575  933.709    102.113  71.639  7.2673  86.714  4.8729  -15.07543      8.749786 
1 1 1 -19 -22 16 o 28.394  6.5918  105.214    44.542   99.444     71.593   108.857    56.894   27.937  9.1544  28.735  7.9101  -0.7978001     12.09842 
1 1 1 -19 -22 17 o 30.278  6.3962  118.992    45.518   136.672    73.643   108.062    57.903   32.011  9.0685  28.652  8.0148  3.359034       12.10263 
1 1 1 -19 -22 18 o 68.350  4.8499  580.368    79.911   622.380    108.179  529.910    118.556  70.190  6.4231  64.129  7.7783  6.060394       10.08749 
1 1 1 -19 -22 19 o 28.451  8.3331  106.047    61.219   246.926    109.771  42.449     73.754   42.421  10.674  22.775  9.0078  19.64590       13.96656 
1 1 1 -19 -22 20 o 30.481  8.4533  122.952    64.704   45.968     111.740  161.787    79.364   26.423  10.858  34.720  9.2530  -8.297180      14.26556 
1 1 1 -19 -22 21 o 30.919  9.3430  126.159    76.019   167.457    114.410  93.515     101.720  35.407  11.571  28.969  10.798  6.437387       15.82668 
1 1 1 -19 -22 22 f 34.037  6.2153  149.048    49.439   161.608    78.580   140.818    63.606   34.706  9.1872  32.603  8.0810  2.102894       12.23546 
1 1 1 -19 -22 23 o 63.308  4.3865  496.115    66.967   541.492    105.538  465.531    86.644   65.294  6.7594  60.810  5.9484  4.484241       9.004034 
1 1 1 -19 -22 24 o 43.507  5.6652  239.338    58.387   212.321    87.267   261.232    78.559   39.740  9.2273  44.857  7.4813  -5.116398      11.87909 
1 1 1 -19 -22 25 o 26.795  10.079  76.893     89.026   76.893     89.026   0.0000     0.0000   26.795  10.079  ?       ?       0.000000       10.07922 
1 1 1 -19 -22 26 o 82.490  7.5676  872.433    149.781  872.433    149.781  0.0000     0.0000   82.490  7.5676  ?       ?       0.000000       7.567577 
1 1 1 -19 -22 27 o 38.360  13.613  199.235    158.921  199.235    158.921  0.0000     0.0000   38.360  13.613  ?       ?       0.000000       13.61323 
1 1 1 -19 -22 28 o 26.263  9.5528  79.468     78.806   -88.6484   151.003  142.395    92.384   23.777  11.016  32.619  10.375  -8.841602      15.13238 
1 1 1 -19 -22 29 o 23.779  8.6118  64.167     63.945   150.843    154.651  46.293     70.229   34.980  13.255  22.635  8.8391  12.34495       15.93221 
1 1 1 -19 -22 30 o 90.993  4.1536  1021.54    91.706   1105.94    162.539  982.121    111.074  92.852  7.2726  88.669  5.1853  4.183075       8.931817 
1 1 1 -19 -22 31 o 75.292  4.2948  702.867    78.135   923.720    146.253  614.654    92.432   84.796  7.1756  69.911  5.4932  14.88528       9.036816 
1 1 1 -19 -22 32 o 50.527  4.8799  320.285    59.082   385.895    125.272  301.516    67.002   52.935  10.122  48.687  5.7849  4.248032       11.65847 
1 1 1 -19 -22 33 o 62.842  4.4514  491.936    67.435   484.621    131.229  494.560    78.608   59.860  9.3399  62.710  5.2134  -2.849728      10.69647 
1 1 1 -19 -22 34 o 42.278  5.3437  227.193    53.594   386.282    118.697  186.455    60.065   53.094  9.5654  37.704  6.8164  15.39017       11.74567 
1 1 1 -19 -22 35 o 40.273  5.6223  207.736    53.442   318.246    115.657  177.735    60.261   47.533  10.324  36.671  7.0284  10.86216       12.48899 
1 1 1 -19 -22 36 o 21.303  7.1033  56.604     43.037   27.933     109.887  61.798     46.773   24.551  10.469  22.186  7.4055  2.364395       12.82326 
1 1 1 -19 -22 37 o 26.098  7.1540  91.107     46.652   132.613    114.830  82.902     51.055   31.563  11.524  25.020  7.6767  6.543743       13.84648 
1 1 1 -19 -22 38 o 33.225  6.9149  147.127    53.932   0.0000     0.0000   147.127    53.932   ?       ?       33.225  6.9149  0.000000       6.914898 
1 1 1 -19 -22 39 o 38.419  6.4362  193.684    57.876   0.0000     0.0000   193.684    57.876   ?       ?       38.419  6.4362  0.000000       6.436224 
1 1 1 -19 -22 40 o 23.692  8.7124  66.397     65.808   0.0000     0.0000   66.397     65.808   ?       ?       23.692  8.7124  0.000000       8.712418 
1 1 1 -19 -22 41 f 37.384  8.6449  194.450    76.853   338.480    148.002  141.275    89.927   46.578  12.732  31.575  10.256  15.00251       16.34847 
1 1 1 -19 -22 42 o 42.936  5.3050  236.225    54.092   274.073    114.955  225.461    61.303   42.980  10.982  41.501  6.2845  1.478294       12.65332 
1 1 1 -19 -22 43 o 27.517  7.4218  103.219    50.690   21.690     98.399   132.671    59.142   22.863  9.8317  31.033  7.8489  -8.170158      12.58042 
1 1 1 -19 -22 44 o 61.329  4.6238  474.519    68.301   670.730    122.057  385.069    82.412   71.179  7.1646  54.278  6.3793  16.90155       9.593015 
1 1 1 -19 -22 45 o 17.514  6.9568  25.765     44.166   97.301     91.589   4.0909     50.415   27.428  10.242  16.374  7.0391  11.05419       12.42739 
1 1 1 -19 -22 46 f 20.985  8.6564  33.133     71.365   145.034    119.783  -28.4466   88.857   31.610  11.730  19.137  8.7109  12.47313       14.61089 
1 1 1 -19 -22 47 o 34.847  10.441  183.834    95.233   35.614     158.452  267.652    119.155  27.058  12.029  41.261  11.481  -14.20327      16.62863 
1 1 1 -19 -22 48 o 18.317  8.2558  -16.5160   77.481   -110.6088  135.303  29.394     94.511   20.383  9.7382  22.498  9.6539  -2.114746      13.71243 
1 1 1 -19 -22 49 o 13.479  6.2755  -35.9664   49.929   -57.7353   91.099   -26.6194   59.694   17.860  8.3678  15.470  7.0792  2.390459       10.96061 
1 1 1 -19 -22 50 o 13.655  6.3839  -39.6371   52.530   -61.7950   96.985   -30.4384   62.489   18.219  8.5671  15.589  7.1738  2.629994       11.17402 
1 1 1 -19 -22 51 f 36.421  7.2163  185.557    61.517   277.898    112.791  146.458    73.394   41.314  11.040  31.135  9.1255  10.17948       14.32368 
1 1 1 -19 -22 52 o 39.535  7.1516  218.699    66.078   181.887    121.693  234.091    78.689   32.536  11.865  39.976  8.3804  -7.439857      14.52645 
1 1 1 -19 -22 53 o 47.395  6.9298  311.936    77.337   296.632    145.122  318.007    91.397   39.384  13.040  46.551  8.4008  -7.167366      15.51153 
1 1 1 -19 -22 54 o 31.968  8.3531  153.857    65.509   38.068     139.908  186.371    74.138   24.511  11.066  34.942  8.7607  -10.43128      14.11431 
1 1 1 -19 -22 55 o 28.748  8.8216  127.769    67.417   -25.8768   141.717  172.709    76.645   22.239  10.425  33.125  9.2051  -10.88613      13.90731 
1 1 1 -19 -22 56 o 22.838  9.5322  58.551     88.003   0.0000     0.0000   58.551     88.003   ?       ?       22.838  9.5322  0.000000       9.532211 
1 1 1 -19 -22 57 o 23.240  9.1634  71.491     76.105   -118.9086  166.093  122.090    85.622   21.184  10.285  27.658  9.9730  -6.473745      14.32664 
1 1 1 -19 -22 58 o 17.434  7.6102  9.0106     60.782   79.255     145.445  -5.8526    66.904   26.220  11.596  17.168  7.7107  9.052023       13.92589 
1 1 1 -19 -22 59 o 16.925  7.3943  6.9512     57.492   70.597     139.770  -6.0104    63.075   25.666  11.359  16.727  7.5016  8.938917       13.61240 
1 1 1 -19 -22 60 o 31.609  15.149  215.599    333.003  215.599    333.003  0.0000     0.0000   31.609  15.149  ?       ?       0.000000       15.14869 
1 1 1 -19 -22 61 o 23.939  10.132  70.424     101.624  -248.0128  328.139  104.206    106.879  24.998  12.534  26.144  10.666  -1.145918      16.45834 
1 1 1 -19 -22 62 f 28.959  11.098  151.722    109.172  338.419    338.543  130.053    115.333  32.159  15.375  27.451  11.125  4.707666       18.97806 
1 1 1 -19 -21 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -21 2  o 56.734  5.4884  409.242    74.609   458.914    140.375  389.686    88.081   56.906  10.555  54.707  6.7808  2.199394       12.54542 
1 1 1 -19 -21 3  o 17.001  5.6131  35.174     26.898   17.698     57.737   40.018     30.398   18.659  7.7488  18.072  5.9672  0.5863667      9.780128 
1 1 1 -19 -21 4  o 18.638  5.7486  44.004     28.587   8.3975     52.199   59.258     34.166   17.190  7.2678  21.360  6.2165  -4.170439      9.563738 
1 1 1 -19 -21 5  o 13.176  5.2920  11.027     25.846   -25.5635   47.593   26.332     30.780   13.995  6.3721  16.073  5.9499  -2.078309      8.718036 
1 1 1 -19 -21 6  o 26.081  7.7887  89.680     53.059   61.624     85.980   106.936    67.430   25.051  9.7809  28.366  8.8422  -3.314838      13.18518 
1 1 1 -19 -21 7  o 14.778  6.3036  2.0193     39.868   -43.1936   71.911   22.083     47.904   16.816  7.7228  17.903  7.1998  -1.086958      10.55830 
1 1 1 -19 -21 8  o 37.539  6.6450  183.051    58.311   196.454    100.810  176.311    71.483   37.564  10.599  36.250  8.3052  1.314556       13.46533 
1 1 1 -19 -21 9  o 99.376  3.8399  1214.86    92.589   1092.22    146.917  1295.66    119.251  92.800  6.5671  102.228 4.8076  -9.428154      8.138803 
1 1 1 -19 -21 10 o 92.296  3.7961  1046.99    85.014   862.729    134.257  1170.32    109.840  82.386  6.7762  97.266  4.6541  -14.87985      8.220521 
1 1 1 -19 -21 11 o 106.967 3.9055  1406.54    101.364  1356.94    159.703  1439.99    131.173  103.767 6.3738  107.774 5.0161  -4.007210      8.110856 
1 1 1 -19 -21 12 o 54.723  4.0324  370.162    53.165   421.289    88.782   341.577    66.384   57.609  6.4629  52.198  5.3156  5.411331       8.368072 
1 1 1 -19 -21 13 o 61.518  4.0173  467.005    59.637   381.800    98.958   515.598    74.732   54.347  7.7214  64.422  4.8157  -10.07462      9.100075 
1 1 1 -19 -21 14 o 74.893  3.9700  690.724    71.885   659.134    114.017  711.566    92.610   72.229  6.5778  75.667  5.0736  -3.437630      8.307133 
1 1 1 -19 -21 15 o 31.053  6.2429  124.443    45.408   94.790     72.631   143.470    58.180   27.587  9.2282  33.093  7.4279  -5.505877      11.84622 
1 1 1 -19 -21 16 o 77.268  3.9267  734.444    73.377   686.178    117.872  764.983    93.760   73.728  6.6609  78.549  4.9447  -4.820526      8.295586 
1 1 1 -19 -21 17 o 125.467 4.0883  1933.13    124.461  1934.39    191.751  1932.21    163.608  124.288 6.3798  124.877 5.3995  -0.5890350     8.358075 
1 1 1 -19 -21 18 o 81.721  3.8873  819.043    77.081   949.766    123.236  735.039    98.790   87.224  5.8569  76.881  5.3287  10.34348       7.918185 
1 1 1 -19 -21 19 o 28.050  9.1367  99.271     71.356   151.249    107.024  57.673     95.742   34.072  11.194  26.005  10.270  8.066912       15.19152 
1 1 1 -19 -21 20 o 77.177  5.9133  744.657    109.892  718.304    167.630  764.518    145.525  74.084  9.5475  77.347  7.8634  -3.263420      12.36883 
1 1 1 -19 -21 21 o 42.972  8.1570  241.419    81.940   324.580    126.110  180.660    107.795  48.856  10.913  36.657  11.137  12.19971       15.59255 
1 1 1 -19 -21 22 f 83.936  4.1325  865.260    84.164   897.179    131.525  843.126    109.523  84.506  6.4635  82.292  5.5170  2.213257       8.497877 
1 1 1 -19 -21 23 o 125.043 4.1970  1921.36    127.340  1965.57    194.443  1888.16    168.501  125.264 6.4190  123.333 5.6307  1.930862       8.538576 
1 1 1 -19 -21 24 o 75.360  7.3298  722.369    132.332  722.369    132.332  0.0000     0.0000   75.360  7.3298  ?       ?       0.000000       7.329795 
1 1 1 -19 -21 25 o 32.807  11.567  134.017    114.560  134.017    114.560  0.0000     0.0000   32.807  11.567  ?       ?       0.000000       11.56715 
1 1 1 -19 -21 26 f 77.344  8.0387  769.203    148.656  769.203    148.656  0.0000     0.0000   77.344  8.0387  ?       ?       0.000000       8.038651 
1 1 1 -19 -21 27 o 62.535  7.3682  501.009    109.657  793.727    216.675  400.223    127.141  75.856  12.185  54.624  9.9595  21.23199       15.73709 
1 1 1 -19 -21 28 o 59.454  6.6034  449.242    93.650   346.585    206.085  475.957    105.132  48.197  15.513  60.939  7.2526  -12.74211      17.12443 
1 1 1 -19 -21 29 o 107.326 6.1563  1447.69    159.650  1790.36    295.459  1306.38    189.734  115.569 10.656  100.876 7.8126  14.69334       13.21342 
1 1 1 -19 -21 30 o 91.410  4.1384  1029.46    91.789   1241.53    161.158  927.636    111.673  98.935  6.7537  86.171  5.3676  12.76411       8.626935 
1 1 1 -19 -21 31 o 96.249  4.1245  1142.00    96.323   1217.37    165.909  1103.68    118.303  97.682  7.0472  94.048  5.2045  3.634918       8.760667 
1 1 1 -19 -21 32 o 37.325  5.6216  177.787    49.333   118.958    110.964  192.279    55.075   31.042  11.329  38.698  6.0648  -7.656454      12.84996 
1 1 1 -19 -21 33 o 24.534  6.9293  78.870     43.065   3.9558     106.806  93.414     47.060   23.281  10.126  26.587  7.1426  -3.306536      12.39204 
1 1 1 -19 -21 34 o 23.299  7.1364  70.194     44.142   114.567    105.943  60.872     48.558   30.316  11.069  22.274  7.5450  8.042225       13.39555 
1 1 1 -19 -21 35 o 28.311  6.8162  106.207    46.261   105.346    104.555  106.416    51.585   29.453  10.953  28.226  7.4304  1.227001       13.23589 
1 1 1 -19 -21 36 o 15.081  6.4016  4.2321     40.754   144.244    109.797  -18.1396   43.889   32.581  11.335  13.825  6.2239  18.75602       12.93114 
1 1 1 -19 -21 37 o 15.030  6.4149  2.7684     41.333   0.0000     0.0000   2.7684     41.333   ?       ?       15.030  6.4149  0.000000       6.414948 
1 1 1 -19 -21 38 o 68.282  5.2927  589.406    87.005   0.0000     0.0000   589.406    87.005   ?       ?       68.282  5.2927  0.000000       5.292711 
1 1 1 -19 -21 39 o 52.469  5.6172  351.652    70.402   0.0000     0.0000   351.652    70.402   ?       ?       52.469  5.6172  0.000000       5.617172 
1 1 1 -19 -21 40 o 28.870  8.4812  114.225    63.331   60.579     131.392  130.460    72.281   27.625  11.597  30.648  9.0766  -3.022707      14.72675 
1 1 1 -19 -21 41 o 39.748  5.2694  202.305    49.568   207.074    60.823   192.874    85.532   39.686  6.5446  36.880  9.4999  2.805355       11.53601 
1 1 1 -19 -21 42 o 31.036  6.2767  127.405    45.643   126.676    55.056   129.007    81.622   30.518  7.4908  30.388  9.7608  0.1292267      12.30386 
1 1 1 -19 -21 43 o 19.206  6.7539  43.822     39.033   18.200     49.410   86.353     63.659   17.517  7.2116  25.599  8.6390  -8.081911      11.25345 
1 1 1 -19 -21 44 o 45.322  4.9447  261.403    53.495   294.262    68.565   210.284    85.520   47.576  6.0784  38.459  9.2725  9.117126       11.08722 
1 1 1 -19 -21 45 o 18.450  6.6804  38.832     38.475   62.731     46.776   -11.1665   67.657   22.094  7.4056  17.674  7.8583  4.419783       10.79793 
1 1 1 -19 -21 46 o 20.291  8.6522  17.530     75.059   27.371     120.986  11.372     95.703   24.717  10.764  21.891  9.5526  2.826324       14.39183 
1 1 1 -19 -21 47 o 43.268  9.4127  270.554    96.009   37.760     161.000  399.023    119.602  27.418  12.160  52.519  9.7444  -25.10116      15.58238 
1 1 1 -19 -21 48 o 20.735  9.0352  11.459     85.346   -211.2128  135.005  159.681    110.147  18.001  8.8519  32.336  11.347  -14.33426      14.39134 
1 1 1 -19 -21 49 o 32.931  6.0828  145.141    46.814   134.561    59.003   163.117    76.911   30.823  7.8638  33.226  9.2168  -2.403471      12.11561 
1 1 1 -19 -21 50 o 16.268  6.4429  23.332     37.779   46.025     46.217   -22.3644   65.583   19.709  7.2918  16.464  7.4900  3.245531       10.45330 
1 1 1 -19 -21 51 o 20.041  6.8728  52.168     40.297   34.957     47.650   95.388     75.511   18.547  7.2703  25.967  9.3653  -7.420456      11.85605 
1 1 1 -19 -21 52 o 29.947  6.4574  123.718    45.541   122.696    57.627   125.417    74.323   29.046  7.9465  28.769  9.3219  0.2774582      12.24924 
1 1 1 -19 -21 53 o 53.048  4.9047  365.625    62.417   376.303    81.459   350.441    97.140   52.536  6.5312  48.928  8.4901  3.607685       10.71158 
1 1 1 -19 -21 54 o 43.429  5.1982  248.662    53.689   224.281    68.272   288.175    86.914   39.715  7.3557  44.184  8.4143  -4.469048      11.17620 
1 1 1 -19 -21 55 o 40.253  8.4720  242.114    80.128   42.721     301.536  257.264    83.116   29.006  14.029  41.462  8.5459  -12.45612      16.42656 
1 1 1 -19 -21 56 o 30.788  11.551  166.204    116.787  0.0000     0.0000   166.204    116.787  ?       ?       30.788  11.551  0.000000       11.55149 
1 1 1 -19 -21 57 o 11.898  5.5513  -29.0156   39.414   -52.0517   44.073   62.990     88.080   11.490  5.5077  23.212  9.5995  -11.72251      11.06734 
1 1 1 -19 -21 58 o 21.063  6.7235  61.478     38.774   70.855     45.757   37.595     73.026   22.404  7.3174  20.581  8.6433  1.822598       11.32476 
1 1 1 -19 -21 59 o 26.242  8.7152  103.921    64.808   98.365     143.170  105.353    72.681   27.120  11.760  26.317  9.2183  0.8032188      14.94264 
1 1 1 -19 -21 60 o 24.591  12.362  -344.7983  330.086  -344.7983  330.086  0.0000     0.0000   24.591  12.362  ?       ?       0.000000       12.36162 
1 1 1 -19 -21 61 o 15.005  7.3444  -124.1686  89.668   -232.3827  343.880  -116.2741  92.881   25.674  12.867  15.553  7.5829  10.12099       14.93540 
1 1 1 -19 -21 62 o 35.707  11.634  241.344    115.687  323.573    373.603  232.623    121.667  31.873  15.464  34.545  11.937  -2.672819      19.53500 
1 1 1 -19 -20 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -20 2  o 31.721  7.1834  134.183    54.005   0.0000     0.0000   134.183    54.005   ?       ?       31.721  7.1834  0.000000       7.183412 
1 1 1 -19 -20 3  o 19.744  5.8625  49.995     30.125   52.267     73.224   49.533     33.052   23.234  9.0387  19.791  6.1941  3.442886       10.95738 
1 1 1 -19 -20 4  o 79.763  4.1405  788.195    79.859   522.337    168.050  865.745    90.762   60.475  11.876  83.450  4.4990  -22.97557      12.69990 
1 1 1 -19 -20 5  o 34.575  5.5307  152.935    44.835   99.867     64.209   203.428    62.632   27.573  8.6339  39.547  6.7706  -11.97424      10.97201 
1 1 1 -19 -20 6  o 59.616  4.8033  443.534    68.893   436.419    93.078   452.154    102.453  58.385  6.6910  59.159  7.2918  -0.7734489     9.896457 
1 1 1 -19 -20 7  f 62.840  7.2921  508.268    109.120  0.0000     0.0000   508.268    109.120  ?       ?       62.840  7.2921  0.000000       7.292053 
1 1 1 -19 -20 8  o 111.776 5.9534  1566.98    160.883  1145.96    257.765  1835.65    205.914  91.163  11.940  120.195 7.0919  -29.03168      13.88748 
1 1 1 -19 -20 9  o 96.136  3.8263  1134.98    89.254   882.316    140.648  1305.34    115.487  83.319  7.0225  102.810 4.6295  -19.49097      8.411202 
1 1 1 -19 -20 10 o 81.960  3.7024  823.878    73.630   714.954    117.001  895.299    94.742   75.269  6.4692  85.068  4.6072  -9.798943      7.942066 
1 1 1 -19 -20 11 o 54.714  3.9058  369.229    51.512   293.173    81.867   419.076    66.277   47.714  7.3037  58.092  4.7434  -10.37772      8.708844 
1 1 1 -19 -20 12 o 52.624  4.0659  342.004    51.514   377.183    87.285   323.201    63.812   54.482  6.7471  50.848  5.2475  3.633575       8.547459 
1 1 1 -19 -20 13 f 38.184  5.1366  183.231    46.384   172.645    75.747   189.582    58.671   36.076  8.7444  38.470  6.5181  -2.394371      10.90642 
1 1 1 -19 -20 14 f 23.026  6.7886  67.576     40.511   29.953     64.728   91.804     51.943   20.880  8.3789  26.635  7.6400  -5.754414      11.33912 
1 1 1 -19 -20 15 o 30.285  5.8593  117.468    41.499   161.536    70.109   93.699     51.489   35.013  8.3665  26.890  7.5704  8.123381       11.28319 
1 1 1 -19 -20 16 o 56.127  4.6577  390.166    62.859   492.057    131.665  360.086    71.539   61.486  9.1002  53.665  5.5754  7.821320       10.67231 
1 1 1 -19 -20 17 o 107.620 3.9996  1419.65    104.442  1232.40    161.840  1553.29    136.722  99.122  6.7695  112.242 5.0202  -13.11991      8.427841 
1 1 1 -19 -20 18 o 150.306 4.4407  2775.38    161.955  2517.01    243.667  2979.85    216.764  141.783 7.0829  155.087 5.7603  -13.30379      9.129532 
1 1 1 -19 -20 19 o 73.171  5.9695  668.335    105.061  580.572    159.819  735.124    139.420  66.377  10.253  76.098  7.6545  -9.720779      12.79549 
1 1 1 -19 -20 20 o 76.230  5.9660  725.020    109.471  718.983    165.853  729.681    145.724  74.439  9.3914  75.632  8.0652  -1.192322      12.37927 
1 1 1 -19 -20 21 o 161.480 6.4332  3247.19    252.065  3209.09    372.401  3279.39    342.429  157.640 9.7843  160.250 8.8408  -2.609375      13.18684 
1 1 1 -19 -20 22 o 107.977 4.2081  1430.64    110.252  1303.69    171.597  1519.89    143.878  101.853 6.9856  110.909 5.3464  -9.056564      8.796769 
1 1 1 -19 -20 23 o 42.098  13.480  242.184    155.763  242.184    155.763  0.0000     0.0000   42.098  13.480  ?       ?       0.000000       13.47981 
1 1 1 -19 -20 24 o 34.979  10.234  162.711    92.375   162.711    92.375   0.0000     0.0000   34.979  10.234  ?       ?       0.000000       10.23372 
1 1 1 -19 -20 25 o 23.997  10.427  -2.5909    113.021  -2.5909    113.021  0.0000     0.0000   23.997  10.427  ?       ?       0.000000       10.42746 
1 1 1 -19 -20 26 o 49.320  7.1500  311.365    83.069   287.990    120.707  332.396    114.494  45.965  10.974  49.946  9.7975  -3.981499      14.71155 
1 1 1 -19 -20 27 o 44.869  7.5316  260.418    79.092   309.567    203.747  251.698    85.822   46.446  15.454  43.794  8.3817  2.652203       17.58077 
1 1 1 -19 -20 28 o 55.635  6.7096  393.392    88.747   396.423    204.430  392.689    98.515   51.811  15.243  55.262  7.5441  -3.450981      17.00742 
1 1 1 -19 -20 29 o 84.139  6.1442  889.009    124.570  1229.65    245.670  771.117    144.527  95.924  10.739  77.537  7.7873  18.38657       13.26558 
1 1 1 -19 -20 30 o 100.419 4.1268  1240.81    100.553  1385.94    171.001  1164.10    124.317  104.704 6.7671  96.682  5.3198  8.021469       8.607786 
1 1 1 -19 -20 31 o 108.152 4.1920  1440.98    110.008  1732.44    185.736  1283.49    136.532  117.140 6.5611  101.341 5.5739  15.79936       8.609052 
1 1 1 -19 -20 32 o 62.154  4.5550  480.059    68.216   649.283    135.588  422.709    78.933   70.698  8.0475  57.913  5.6906  12.78416       9.856251 
1 1 1 -19 -20 33 o 60.878  4.4886  460.774    65.835   593.756    132.585  417.255    75.846   67.339  8.2896  57.566  5.4969  9.773357       9.946519 
1 1 1 -19 -20 34 o 41.313  5.4964  216.826    53.729   254.783    118.201  206.941    60.321   42.357  11.294  40.023  6.4291  2.334229       12.99587 
1 1 1 -19 -20 35 o 89.138  3.8403  979.334    83.059   1075.96    126.064  905.211    110.413  92.439  5.6476  84.902  5.3876  7.536682       7.805174 
1 1 1 -19 -20 36 o 10.435  5.0118  -51.6686   36.893   0.0000     0.0000   -51.6686   36.893   ?       ?       10.435  5.0118  0.000000       5.011842 
1 1 1 -19 -20 37 o 31.792  7.1277  134.589    53.625   0.0000     0.0000   134.589    53.625   ?       ?       31.792  7.1277  0.000000       7.127726 
1 1 1 -19 -20 38 o 85.362  5.2436  917.439    108.082  0.0000     0.0000   917.439    108.082  ?       ?       85.362  5.2436  0.000000       5.243621 
1 1 1 -19 -20 39 o 44.311  4.6813  247.462    49.570   304.470    78.072   208.959    64.161   48.250  6.8620  39.820  6.8900  8.429325       9.724101 
1 1 1 -19 -20 40 o 40.492  5.3915  209.858    51.655   226.999    64.323   178.727    86.685   41.636  6.5860  35.526  9.7573  6.110485       11.77205 
1 1 1 -19 -20 41 o 73.611  4.8327  681.307    85.839   678.352    109.154  686.094    138.963  72.604  6.2572  71.649  8.1377  0.9551468      10.26518 
1 1 1 -19 -20 42 o 89.095  4.9307  999.049    106.178  1055.90    136.311  911.337    169.315  90.638  6.2360  82.125  8.6257  8.513626       10.64377 
1 1 1 -19 -20 43 o 73.993  4.0481  682.023    72.403   596.600    98.276   783.431    107.077  68.128  6.0066  78.361  5.6699  -10.23326      8.259935 
1 1 1 -19 -20 44 o 14.019  6.0186  1.1150     36.767   -0.9554    44.897   5.3304     64.063   15.206  6.5897  18.360  7.9141  -3.154306      10.29842 
1 1 1 -19 -20 45 o 7.1398  3.5812  -76.6278   26.903   -57.6499   30.595   -141.3449  56.498   8.7340  4.2783  10.697  5.3392  -1.963150      6.841857 
1 1 1 -19 -20 46 o 68.278  7.0172  616.528    114.600  752.346    197.835  547.938    140.590  70.408  12.011  62.187  9.6285  8.220776       15.39412 
1 1 1 -19 -20 47 o 52.504  7.9595  377.040    98.223   536.849    166.104  291.111    121.801  58.931  12.024  43.445  11.408  15.48575       16.57460 
1 1 1 -19 -20 48 o 23.228  9.3751  53.209     81.547   -90.9462   137.069  132.184    101.454  21.238  10.047  30.207  10.860  -8.968887      14.79460 
1 1 1 -19 -20 49 o 14.099  6.0812  1.3286     37.871   18.630     45.425   -38.1045   68.578   16.828  6.9198  16.131  7.4561  0.6970272      10.17233 
1 1 1 -19 -20 50 o 65.630  4.2850  545.187    67.863   547.033    90.597   542.827    102.433  64.617  5.8415  63.608  6.7396  1.008751       8.918817 
1 1 1 -19 -20 51 o 33.382  6.1120  150.201    47.682   129.134    61.016   183.245    76.419   29.861  8.1799  35.150  8.9395  -5.288641      12.11712 
1 1 1 -19 -20 52 o 32.070  6.3198  140.456    47.428   81.043     60.250   237.254    76.905   24.134  8.3965  40.646  8.0823  -16.51219      11.65435 
1 1 1 -19 -20 53 f 68.895  4.4310  607.177    73.679   577.607    101.898  639.577    106.663  65.286  6.5197  68.775  6.4677  -3.489334      9.183558 
1 1 1 -19 -20 54 o 33.953  6.3245  158.523    50.186   152.967    63.361   167.876    82.215   32.170  8.1173  32.552  9.6894  -0.3821220     12.64022 
1 1 1 -19 -20 55 o 38.461  9.0513  226.695    83.063   429.760    312.129  211.218    86.170   37.631  16.795  36.575  9.5915  1.056641       19.34101 
1 1 1 -19 -20 56 o 21.489  7.0466  64.103     42.417   109.123    47.053   -131.2129  98.004   27.617  7.0097  15.808  7.7250  11.80909       10.43126 
1 1 1 -19 -20 57 o 10.078  4.8773  -52.9691   36.599   -49.8442   40.308   -67.6426   87.345   10.934  5.2481  16.655  7.9199  -5.721387      9.500941 
1 1 1 -19 -20 58 o 19.405  6.9589  48.384     41.632   54.440     50.793   35.986     72.671   20.614  7.6408  20.494  8.6152  0.1200752      11.51530 
1 1 1 -19 -20 59 o 24.295  7.1497  84.466     44.972   92.736     55.014   67.807     78.077   25.158  8.0064  23.189  9.2374  1.968546       12.22422 
1 1 1 -19 -20 60 f 31.666  11.352  175.734    110.772  238.423    357.135  169.061    116.518  32.534  15.617  31.013  11.557  1.521000       19.42867 
1 1 1 -19 -20 61 o 23.798  10.290  59.574     108.972  -228.0490  352.935  89.883     114.570  26.056  13.055  25.650  10.802  0.4058075      16.94447 
1 1 1 -19 -20 62 o 33.474  11.810  215.146    119.439  76.539     341.335  234.486    127.500  28.636  14.080  34.426  12.196  -5.789557      18.62782 
1 1 1 -19 -19 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -19 2  o 85.969  6.6979  945.120    138.613  0.0000     0.0000   945.120    138.613  ?       ?       85.969  6.6979  0.000000       6.697857 
1 1 1 -19 -19 3  o 48.333  4.1547  290.437    48.250   245.295    108.455  301.576    53.875   41.823  10.657  49.134  4.5714  -7.311695      11.59597 
1 1 1 -19 -19 4  o 77.556  3.7173  739.526    69.954   626.569    116.681  802.909    87.404   69.939  6.9685  80.448  4.4957  -10.50928      8.292840 
1 1 1 -19 -19 5  o 115.074 4.8166  1640.67    134.488  1477.07    179.441  1850.36    203.148  107.825 6.8947  120.668 6.9680  -12.84300      9.802541 
1 1 1 -19 -19 6  o 108.025 3.9571  1434.94    103.722  1152.03    165.038  1619.63    133.347  95.097  7.2060  114.405 4.8037  -19.30874      8.660349 
1 1 1 -19 -19 7  o 64.748  5.6804  525.678    88.339   510.438    146.220  534.438    110.858  61.728  10.113  64.674  7.1859  -2.946079      12.40594 
1 1 1 -19 -19 8  o 60.318  6.1125  458.370    88.225   159.176    144.470  636.306    111.412  35.668  12.940  70.982  6.5423  -35.31449      14.50004 
1 1 1 -19 -19 9  o 37.441  4.4405  174.843    39.555   154.025    62.109   189.047    51.304   34.271  7.6614  38.649  5.6367  -4.377949      9.511570 
1 1 1 -19 -19 10 o 76.364  3.7624  714.524    69.715   604.187    109.776  789.101    90.250   69.226  6.6160  79.907  4.6752  -10.68035      8.101106 
1 1 1 -19 -19 11 o 26.531  5.6943  90.447     35.560   48.960     55.263   119.764    46.455   21.692  7.9829  30.445  6.4871  -8.753077      10.28632 
1 1 1 -19 -19 12 o 19.976  6.6659  47.401     37.897   76.420     61.567   29.698     48.087   25.181  8.4959  18.889  7.3313  6.292385       11.22176 
1 1 1 -19 -19 13 o 76.813  3.8657  724.266    71.818   793.270    114.556  679.583    92.182   79.773  5.9614  74.059  5.1622  5.714676       7.885793 
1 1 1 -19 -19 14 o 21.762  6.6152  59.421     38.027   77.963     66.581   50.444     46.326   25.682  8.8327  21.096  7.3613  4.586554       11.49804 
1 1 1 -19 -19 15 o 87.520  3.8307  937.360    81.349   844.211    129.752  997.688    104.420  82.133  6.5656  89.949  4.8017  -7.815323      8.134114 
1 1 1 -19 -19 16 o 32.680  6.1688  136.524    47.123   150.664    75.579   127.531    60.273   33.848  9.0340  31.264  7.9326  2.584141       12.02243 
1 1 1 -19 -19 17 o 20.115  7.4371  40.616     48.061   92.015     97.965   24.324     55.155   28.994  10.635  19.299  7.7380  9.695063       13.15212 
1 1 1 -19 -19 18 o 107.653 4.0443  1419.06    105.642  1381.12    161.801  1447.26    139.473  105.313 6.3618  108.358 5.3048  -3.045013      8.283284 
1 1 1 -19 -19 19 o 185.190 6.8661  4271.90    308.525  3923.79    451.635  4576.49    422.464  173.962 10.752  189.748 9.1759  -15.78546      14.13542 
1 1 1 -19 -19 20 f 112.667 5.9889  1575.57    163.134  1616.66    252.565  1546.16    213.689  112.348 9.3499  110.631 8.0149  1.717194       12.31496 
1 1 1 -19 -19 21 o 32.455  9.9199  136.457    85.344   93.587     142.917  160.217    106.398  31.980  12.574  35.126  11.130  -3.145519      16.79196 
1 1 1 -19 -19 22 o 20.652  8.9123  -2.3437    81.429   -2.3437    81.429   0.0000     0.0000   20.652  8.9123  ?       ?       0.000000       8.912282 
1 1 1 -19 -19 23 o 85.247  6.9158  912.022    141.816  912.022    141.816  0.0000     0.0000   85.247  6.9158  ?       ?       0.000000       6.915761 
1 1 1 -19 -19 24 o 32.644  9.7176  139.267    82.692   139.267    82.692   0.0000     0.0000   32.644  9.7176  ?       ?       0.000000       9.717563 
1 1 1 -19 -19 25 o 81.234  5.3719  818.375    105.287  856.357    142.189  772.272    156.655  82.415  7.1822  77.676  8.4480  4.739677       11.08843 
1 1 1 -19 -19 26 o 22.960  7.9615  61.060     54.148   51.408     99.566   65.113     64.524   25.982  10.404  24.177  8.6641  1.805351       13.53920 
1 1 1 -19 -19 27 o 36.054  7.9627  170.320    67.799   1.0624     184.241  196.830    72.916   30.157  13.204  38.802  8.0102  -8.645317      15.44391 
1 1 1 -19 -19 28 o 77.631  6.0827  754.379    113.661  533.615    231.672  824.361    130.438  60.194  15.699  80.911  6.7044  -20.71679      17.07045 
1 1 1 -19 -19 29 o 36.869  8.4619  179.906    74.097   297.659    194.803  159.988    80.119   45.679  15.107  34.614  9.3284  11.06556       17.75499 
1 1 1 -19 -19 30 o 61.999  4.4575  475.840    66.609   556.771    127.635  445.549    78.085   65.631  8.1934  59.686  5.4520  5.945297       9.841513 
1 1 1 -19 -19 31 o 60.054  3.9650  445.021    57.452   408.397    88.640   471.551    75.444   56.692  6.5653  61.495  5.1022  -4.803596      8.314810 
1 1 1 -19 -19 32 o 113.785 3.9786  1592.24    109.844  1759.36    164.501  1457.77    147.561  118.760 5.7086  107.999 5.6507  10.76114       8.032347 
1 1 1 -19 -19 33 o 124.956 4.0621  1922.92    123.161  2154.76    182.848  1730.38    166.631  131.305 5.7391  117.605 5.8394  13.69917       8.187523 
1 1 1 -19 -19 34 o 84.106  3.8386  870.452    78.336   963.919    118.033  796.874    104.724  87.663  5.5781  79.738  5.4453  7.924675       7.795310 
1 1 1 -19 -19 35 o 56.725  5.4262  405.453    73.774   0.0000     0.0000   405.453    73.774   ?       ?       56.725  5.4262  0.000000       5.426222 
1 1 1 -19 -19 36 o 100.340 5.4148  1263.54    131.342  0.0000     0.0000   1263.54    131.342  ?       ?       100.340 5.4148  0.000000       5.414753 
1 1 1 -19 -19 37 o 92.162  5.5034  1069.48    122.506  0.0000     0.0000   1069.48    122.506  ?       ?       92.162  5.5034  0.000000       5.503390 
1 1 1 -19 -19 38 o 45.618  5.0324  262.969    54.776   284.349    84.176   247.267    72.139   46.267  7.7737  43.391  7.0972  2.876022       10.52620 
1 1 1 -19 -19 39 o 44.024  4.5371  243.534    47.771   237.012    62.932   252.402    73.382   42.784  6.2462  43.767  7.1574  -0.9833031     9.499693 
1 1 1 -19 -19 40 o 65.728  4.8805  543.068    77.280   579.103    98.856   486.437    123.926  67.225  6.1278  59.939  8.7814  7.286076       10.70804 
1 1 1 -19 -19 41 o 37.363  5.6339  179.967    49.488   138.001    60.785   262.472    85.228   31.824  7.9069  43.969  8.2928  -12.14467      11.45812 
1 1 1 -19 -19 42 o 39.837  5.4914  203.783    51.669   205.662    63.619   200.143    88.560   39.426  6.9017  37.575  9.6600  1.850986       11.87225 
1 1 1 -19 -19 43 o 44.042  5.0462  246.630    52.953   204.654    67.657   312.997    85.072   39.058  7.4102  48.477  7.4726  -9.419662      10.52380 
1 1 1 -19 -19 44 o 16.370  6.5118  20.870     38.749   18.288     47.758   25.844     66.292   17.328  7.1066  20.157  8.3313  -2.829288      10.95059 
1 1 1 -19 -19 45 o 27.378  6.6631  100.676    43.844   129.415    55.385   52.431     71.759   30.799  7.4846  22.767  8.9227  8.031393       11.64621 
1 1 1 -19 -19 46 o 55.268  7.9861  414.231    103.989  247.129    174.742  505.858    129.395  38.828  14.209  60.234  9.1406  -21.40598      16.89544 
1 1 1 -19 -19 47 o 37.642  9.8960  207.678    91.579   232.457    160.616  195.742    111.475  37.714  13.650  35.794  11.398  1.920532       17.78278 
1 1 1 -19 -19 48 o 36.561  9.9290  198.187    90.357   327.812    160.152  137.658    109.439  43.832  13.621  30.832  11.251  12.99914       17.66674 
1 1 1 -19 -19 49 o 55.138  4.5478  386.025    60.301   410.192    80.251   354.686    91.387   55.954  6.0048  50.873  7.6394  5.080799       9.716938 
1 1 1 -19 -19 50 f 11.578  5.3485  -23.9698   35.219   -0.8758    42.983   -71.1532   61.438   14.719  6.4129  13.622  6.5228  1.096461       9.147244 
1 1 1 -19 -19 51 o 11.442  5.2952  -24.2021   34.745   -26.9997   43.747   -19.4221   57.184   12.940  5.9721  15.496  7.0283  -2.555761      9.222916 
1 1 1 -19 -19 52 o 16.111  6.3905  23.054     37.221   11.323     48.801   39.370     57.551   16.460  6.9966  19.847  7.9230  -3.386826      10.57005 
1 1 1 -19 -19 53 o 53.108  4.9470  365.851    63.015   353.639    83.520   381.990    96.012   50.662  6.9796  51.876  7.8753  -1.213654      10.52305 
1 1 1 -19 -19 54 o 17.997  7.9119  5.3546     66.745   -26.6884   285.831  7.2026     68.643   28.165  13.631  18.313  8.0380  9.852322       15.82455 
1 1 1 -19 -19 55 o 6.5479  3.3092  -83.8365   25.544   -61.9935   28.229   -182.5642  60.014   7.9240  3.9243  10.089  5.0963  -2.165254      6.432185 
1 1 1 -19 -19 56 o 30.438  7.3344  133.398    53.529   155.499    61.517   64.489     108.624  32.554  7.8740  24.419  10.410  8.134800       13.05282 
1 1 1 -19 -19 57 o 32.309  6.5198  145.221    49.349   175.083    61.992   93.557     81.539   34.840  7.5511  25.437  9.6284  9.402811       12.23623 
1 1 1 -19 -19 58 o 17.017  6.7172  28.498     40.940   37.637     49.624   9.0221     72.441   18.799  7.4035  18.746  8.2419  0.5369377E-01  11.07890 
1 1 1 -19 -19 59 o 16.031  6.5162  20.714     39.700   26.208     47.885   8.6342     71.001   17.512  7.1415  18.572  8.1627  -1.060463      10.84575 
1 1 1 -19 -19 60 o 29.744  11.490  149.628    117.695  424.293    355.785  115.878    124.717  36.258  16.837  27.686  11.434  8.571598       20.35278 
1 1 1 -19 -19 61 o 20.073  9.3423  -27.4543   110.519  310.180    287.252  -86.1177   119.736  33.943  15.532  18.875  9.0558  15.06829       17.97886 
1 1 1 -19 -19 62 o 32.514  11.551  197.851    114.452  -111.6101  260.144  272.128    127.449  24.703  12.174  37.408  12.212  -12.70484      17.24384 
1 1 1 -19 -18 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -18 2  o 65.546  5.2270  538.243    82.440   554.460    146.825  530.777    99.627   64.176  9.7344  64.565  6.4455  -0.3885193     11.67486 
1 1 1 -19 -18 3  o 93.548  4.1323  1078.39    93.798   921.122    192.326  1127.47    107.443  83.186  9.7113  95.461  4.6386  -12.27537      10.76223 
1 1 1 -19 -18 4  o 63.962  3.6829  503.757    56.917   476.904    94.461   519.063    71.316   61.305  6.4469  64.675  4.5740  -3.369514      7.904685 
1 1 1 -19 -18 5  o 30.760  4.8835  119.714    35.231   133.382    62.505   113.350    42.651   31.730  8.0931  29.605  6.1389  2.124521       10.15794 
1 1 1 -19 -18 6  o 68.074  3.7366  569.855    61.482   443.713    100.857  644.452    77.559   58.934  7.2029  72.208  4.4484  -13.27380      8.465807 
1 1 1 -19 -18 7  o 68.339  5.5977  582.996    92.006   395.342    153.054  689.176    115.130  53.449  12.085  74.000  6.4772  -20.55091      13.71143 
1 1 1 -19 -18 8  f 92.698  5.5698  1068.15    124.697  985.172    203.726  1117.86    157.686  86.844  9.8420  94.219  6.9465  -7.375748      12.04648 
1 1 1 -19 -18 9  o 112.800 3.9627  1559.39    108.458  1251.40    168.050  1779.26    141.989  99.772  6.9858  120.181 4.8692  -20.40861      8.515266 
1 1 1 -19 -18 10 o 54.672  4.0111  368.140    52.839   279.065    82.433   430.263    68.840   46.616  7.5457  58.933  4.8575  -12.31632      8.973979 
1 1 1 -19 -18 11 o 9.8507  4.6139  -27.6118   27.663   -54.6984   41.721   -6.3603    36.955   11.353  5.4194  13.611  5.9379  -2.258375      8.039212 
1 1 1 -19 -18 12 o 53.054  4.2741  347.208    54.554   345.717    88.763   348.112    69.158   52.168  7.2046  52.848  5.4725  -0.6805305     9.047395 
1 1 1 -19 -18 13 o 75.975  3.9317  708.096    72.232   670.338    115.456  732.378    92.589   73.192  6.5711  77.016  4.9813  -3.824257      8.245817 
1 1 1 -19 -18 14 o 52.233  4.5469  337.115    57.052   364.560    88.313   317.456    74.741   53.719  6.9375  50.264  6.2643  3.454655       9.347166 
1 1 1 -19 -18 15 o 62.900  4.3349  486.965    65.757   402.183    103.142  545.023    85.352   56.213  7.7697  66.323  5.3493  -10.11002      9.433064 
1 1 1 -19 -18 16 o 33.775  6.2997  145.536    49.729   46.279     78.383   212.400    64.334   23.816  9.3277  40.869  6.7214  -17.05283      11.49703 
1 1 1 -19 -18 17 o 52.217  4.6759  337.068    58.616   340.685    92.324   334.626    75.869   51.740  7.5786  51.672  6.1734  0.6823730E-01  9.774783 
1 1 1 -19 -18 18 o 25.010  7.5303  78.958     49.448   -62.5766   84.095   153.750    61.132   17.891  8.2650  34.474  7.5200  -16.58269      11.17410 
1 1 1 -19 -18 19 f 25.693  9.6356  65.630     81.243   146.013    141.764  26.319     99.137   35.431  12.824  24.480  10.159  10.95104       16.36025 
1 1 1 -19 -18 20 o 62.560  7.1125  492.831    106.047  405.586    173.972  544.415    133.772  54.417  13.291  65.244  8.6643  -10.82775      15.86531 
1 1 1 -19 -18 21 o 25.303  11.083  -14.9813   129.932  -14.9813   129.932  0.0000     0.0000   25.303  11.083  ?       ?       0.000000       11.08350 
1 1 1 -19 -18 22 o 65.476  7.0648  539.413    110.462  539.413    110.462  0.0000     0.0000   65.476  7.0648  ?       ?       0.000000       7.064822 
1 1 1 -19 -18 23 o 44.128  8.8362  253.952    91.312   253.952    91.312   0.0000     0.0000   44.128  8.8362  ?       ?       0.000000       8.836199 
1 1 1 -19 -18 24 f 81.962  4.1948  825.019    83.144   746.557    130.359  878.827    107.952  77.100  7.0461  84.299  5.3048  -7.199043      8.819771 
1 1 1 -19 -18 25 o 47.573  4.7710  280.804    54.330   254.897    114.591  288.317    61.707   43.573  10.873  48.068  5.3831  -4.495457      12.13299 
1 1 1 -19 -18 26 o 14.877  6.1463  8.5054     36.058   -27.0681   95.618   14.403     38.932   20.975  9.3334  15.989  6.4693  4.986053       11.35623 
1 1 1 -19 -18 27 o 56.675  6.7005  405.549    90.360   150.155    216.214  459.594    99.462   38.644  15.379  60.302  6.9232  -21.65803      16.86542 
1 1 1 -19 -18 28 o 109.455 6.1322  1493.28    162.204  1703.97    298.949  1405.38    193.099  113.746 10.968  105.425 7.5996  8.320740       13.34327 
1 1 1 -19 -18 29 o 88.418  6.1067  976.886    130.210  1240.23    254.759  883.765    151.492  96.677  11.059  83.430  7.5657  13.24648       13.39963 
1 1 1 -19 -18 30 o 76.743  3.8175  722.045    71.086   849.789    107.815  623.809    94.547   82.659  5.4054  70.719  5.5547  11.94022       7.750621 
1 1 1 -19 -18 31 o 74.593  3.9498  684.934    71.234   808.769    107.050  586.528    95.428   80.542  5.5109  68.428  5.8021  12.11337       8.002152 
1 1 1 -19 -18 32 o 32.578  6.0777  136.535    46.275   207.267    69.880   81.290     61.757   39.858  7.5008  25.588  8.5080  14.27025       11.34232 
1 1 1 -19 -18 33 o 65.592  4.1682  531.817    65.993   540.230    95.118   524.009    91.636   65.448  6.0584  64.505  5.9209  0.9432144      8.471224 
1 1 1 -19 -18 34 o 103.411 5.5866  1338.11    139.658  0.0000     0.0000   1338.11    139.658  ?       ?       103.411 5.5866  0.000000       5.586625 
1 1 1 -19 -18 35 o 86.070  5.5017  928.678    114.297  0.0000     0.0000   928.678    114.297  ?       ?       86.070  5.5017  0.000000       5.501691 
1 1 1 -19 -18 36 o 75.067  5.6392  709.690    101.964  0.0000     0.0000   709.690    101.964  ?       ?       75.067  5.6392  0.000000       5.639230 
1 1 1 -19 -18 37 o 57.011  4.3737  404.781    60.040   467.974    88.025   349.806    82.103   60.633  6.0646  52.093  6.6470  8.539639       8.997917 
1 1 1 -19 -18 38 o 85.471  4.1360  903.800    85.776   866.421    129.690  932.865    114.361  82.270  6.5511  86.036  5.5071  -3.765694      8.558325 
1 1 1 -19 -18 39 o 100.005 3.8584  1235.23    93.625   1123.58    131.401  1350.37    133.435  94.192  5.7773  103.612 5.3256  -9.419701      7.857399 
1 1 1 -19 -18 40 o 42.667  5.4618  232.441    55.247   219.685    67.191   259.064    97.073   40.818  7.0384  43.121  9.5314  -2.303139      11.84851 
1 1 1 -19 -18 41 o 23.944  6.7851  75.878     41.221   79.532     49.584   67.701     74.168   24.558  7.5704  24.481  9.2016  0.7718849E-01  11.91549 
1 1 1 -19 -18 42 o 28.259  6.5136  106.107    43.747   95.464     52.689   129.726    78.493   26.634  7.7107  30.612  9.5396  -3.977972      12.26618 
1 1 1 -19 -18 43 o 36.444  5.4795  171.030    46.955   185.246    60.021   148.606    75.382   37.387  6.8695  32.599  9.1539  4.787891       11.44479 
1 1 1 -19 -18 44 o 13.826  5.9791  -1.3051    36.808   14.130     44.125   -36.6219   66.745   16.449  6.7979  16.233  7.4495  0.2161503      10.08495 
1 1 1 -19 -18 45 f 19.190  6.8879  42.522     40.795   24.825     49.765   78.779     71.230   18.188  7.3297  25.150  9.0920  -6.962212      11.67862 
1 1 1 -19 -18 46 o 67.544  6.9181  599.781    111.780  776.403    189.106  504.929    138.581  72.968  11.025  59.609  9.9309  13.35975       14.83797 
1 1 1 -19 -18 47 f 33.964  9.6954  167.372    83.848   167.741    157.054  167.225    99.163   33.908  13.225  33.602  10.755  0.3061028      17.04581 
1 1 1 -19 -18 48 o 34.644  8.8967  171.922    75.176   266.900    159.663  144.869    85.212   39.741  13.677  31.493  9.9582  8.248381       16.91849 
1 1 1 -19 -18 49 o 15.157  6.2294  13.616     36.790   -6.5766    48.391   41.273     56.634   15.179  6.7023  20.236  7.9278  -5.057237      10.38131 
1 1 1 -19 -18 50 o 30.850  5.9859  127.318    43.192   107.178    58.223   151.966    64.409   27.493  8.1472  32.652  8.1541  -5.158438      11.52676 
1 1 1 -19 -18 51 o 36.247  5.6081  173.445    47.731   102.644    62.748   270.670    73.530   26.779  8.5536  44.510  7.0428  -17.73031      11.07998 
1 1 1 -19 -18 52 o 14.871  6.2000  11.490     37.170   37.387     47.263   -30.4926   60.178   18.777  7.2736  15.248  7.0256  3.528429       10.11264 
1 1 1 -19 -18 53 o 63.427  4.6748  516.837    71.439   456.572    98.345   584.162    103.946  57.476  7.2105  65.694  6.6109  -8.217953      9.782392 
1 1 1 -19 -18 54 o 49.921  7.7289  353.677    90.594   645.609    338.375  331.136    94.026   44.372  18.618  47.635  8.4443  -3.262604      20.44372 
1 1 1 -19 -18 55 o 33.643  6.9661  159.244    54.993   129.210    62.433   263.208    116.158  29.415  8.3556  39.088  11.487  -9.672689      14.20453 
1 1 1 -19 -18 56 o 17.438  6.9954  28.260     45.104   33.809     50.550   6.5890     99.892   18.516  7.4136  20.973  9.4206  -2.456926      11.98788 
1 1 1 -19 -18 57 o 31.077  6.5276  134.370    47.656   112.713    59.979   171.451    78.484   27.525  8.2948  33.156  9.3509  -5.630529      12.49977 
1 1 1 -19 -18 58 o 20.945  6.7458  60.049     38.965   65.359     45.988   46.537     73.361   21.802  7.3428  21.413  8.7982  0.3885365      11.45970 
1 1 1 -19 -18 59 o 23.539  9.1478  72.446     74.942   -183.4291  303.110  89.106     77.343   26.171  12.943  25.043  9.3996  1.127420       15.99588 
1 1 1 -19 -18 60 o 25.985  10.705  91.780     108.978  -142.4310  266.498  138.809    119.419  25.388  12.475  29.110  11.478  -3.721621      16.95203 
1 1 1 -19 -18 61 f 25.741  10.791  89.789     113.496  181.393    245.193  64.809     128.039  30.967  14.236  24.955  10.965  6.011650       17.96898 
1 1 1 -19 -18 62 o 27.778  11.018  129.939    110.642  44.626     274.518  146.486    120.896  27.576  13.349  28.797  11.487  -1.220495      17.61138 
1 1 1 -19 -17 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -17 2  o 77.543  5.2529  750.244    98.251   666.527    168.506  793.365    120.935  70.496  10.143  79.258  6.3416  -8.762108      11.96253 
1 1 1 -19 -17 3  o 65.097  3.9841  522.648    62.626   331.429    130.478  579.886    71.386   48.975  11.221  68.486  4.3179  -19.51038      12.02272 
1 1 1 -19 -17 4  o 40.812  4.0544  206.557    39.618   114.344    68.411   253.087    48.596   29.559  8.8477  45.112  4.4997  -15.55271      9.926203 
1 1 1 -19 -17 5  o 16.516  5.6932  30.980     27.669   29.477     46.033   31.830     34.620   18.573  7.1829  17.447  6.3338  1.125927       9.576618 
1 1 1 -19 -17 6  o 61.122  3.7467  459.206    55.299   391.754    89.413   500.987    70.371   55.601  6.7672  63.652  4.5871  -8.050838      8.175323 
1 1 1 -19 -17 7  o 111.179 5.7629  1535.16    154.930  1337.95    251.929  1655.11    196.476  101.157 10.413  114.780 7.0895  -13.62255      12.59709 
1 1 1 -19 -17 8  o 49.223  6.1169  304.828    71.482   230.702    118.726  346.979    89.528   41.318  11.448  52.206  7.2646  -10.88751      13.55822 
1 1 1 -19 -17 9  o 96.792  3.7743  1145.87    88.641   981.331    138.554  1259.88    115.331  88.656  6.4859  101.269 4.6936  -12.61257      8.006028 
1 1 1 -19 -17 10 o 149.231 4.3246  2729.41    156.591  2426.58    237.680  2961.67    208.153  139.382 7.0508  154.951 5.5363  -15.56950      8.964618 
1 1 1 -19 -17 11 o 57.113  4.0423  401.064    55.656   260.032    86.090   502.334    72.951   44.875  8.2089  63.802  4.7463  -18.92624      9.482268 
1 1 1 -19 -17 12 o 14.375  6.0337  4.2986     35.558   11.239     58.546   0.2418     44.760   18.666  7.7816  15.634  6.6743  3.032383       10.25180 
1 1 1 -19 -17 13 f 11.669  5.4704  -39.2826   39.034   -34.9372   58.398   -42.7919   52.479   15.477  7.0514  14.027  6.4973  1.449495       9.588380 
1 1 1 -19 -17 14 o 128.990 4.1867  2035.50    131.036  1822.85    199.153  2197.84    174.008  121.063 6.8073  133.679 5.3647  -12.61543      8.667151 
1 1 1 -19 -17 15 o 100.898 4.0255  1244.48    98.553   1195.29    150.791  1281.17    130.213  98.136  6.3670  101.967 5.2811  -3.830688      8.272130 
1 1 1 -19 -17 16 o 205.090 5.0139  5162.19    249.506  5236.11    317.475  5042.79    403.508  205.837 6.3565  200.721 8.2850  5.115967       10.44259 
1 1 1 -19 -17 17 o 92.945  4.1950  1056.50    94.606   848.741    147.499  1201.72    123.313  82.285  7.4690  98.795  5.1620  -16.50928      9.079213 
1 1 1 -19 -17 18 o 92.749  4.2055  1052.07    94.643   950.742    147.633  1122.77    123.316  87.282  7.0306  95.436  5.3468  -8.153885      8.832755 
1 1 1 -19 -17 19 o 90.912  5.8274  1022.26    127.870  846.765    195.437  1153.62    169.083  81.114  10.152  96.089  7.3068  -14.97529      12.50837 
1 1 1 -19 -17 20 o 74.048  9.5520  703.027    167.619  703.027    167.619  0.0000     0.0000   74.048  9.5520  ?       ?       0.000000       9.552007 
1 1 1 -19 -17 21 o 105.408 8.9433  1407.30    226.578  1407.30    226.578  0.0000     0.0000   105.408 8.9433  ?       ?       0.000000       8.943264 
1 1 1 -19 -17 22 o 131.264 9.1501  2183.28    289.608  2183.28    289.608  0.0000     0.0000   131.264 9.1501  ?       ?       0.000000       9.150114 
1 1 1 -19 -17 23 o 10.560  5.1671  -84.4265   44.265   -37.4692   68.703   -117.7545  57.880   16.942  7.6917  11.808  5.8043  5.134516       9.635921 
1 1 1 -19 -17 24 o 20.942  6.2925  54.851     34.554   57.492     51.658   52.714     46.484   22.447  7.7767  21.446  7.3800  1.000843       10.72106 
1 1 1 -19 -17 25 o 59.544  4.1420  436.047    59.471   528.565    87.535   356.734    81.048   65.248  5.5828  53.301  6.3944  11.94654       8.488597 
1 1 1 -19 -17 26 o 156.257 4.3523  2992.92    165.015  3192.63    238.873  2810.61    228.224  160.577 6.1308  150.607 6.2453  9.970139       8.751631 
1 1 1 -19 -17 27 o 104.303 6.3104  1354.55    158.953  1187.66    269.903  1443.16    196.679  94.527  12.041  107.055 7.6214  -12.52838      14.25033 
1 1 1 -19 -17 28 o 66.607  7.1197  560.332    113.283  654.538    207.761  520.475    135.139  69.273  12.833  63.417  9.0380  5.855656       15.69626 
1 1 1 -19 -17 29 o 109.495 6.2831  1495.68    166.230  1424.35    277.074  1535.79    207.777  103.842 11.172  110.135 7.8261  -6.292961      13.64076 
1 1 1 -19 -17 30 o 65.487  4.1738  528.470    65.975   546.773    96.869   512.634    90.103   66.042  6.1144  64.013  5.8663  2.029442       8.473464 
1 1 1 -19 -17 31 o 12.018  5.5119  -24.9672   36.469   -37.5011   54.994   -15.1283   48.724   14.680  6.7460  15.034  6.6774  -0.3542633     9.491895 
1 1 1 -19 -17 32 o 42.221  5.1907  223.828    52.057   290.441    76.470   166.298    71.065   47.662  6.8056  35.414  8.3977  12.24821       10.80918 
1 1 1 -19 -17 33 o 73.225  5.5378  670.329    97.665   0.0000     0.0000   670.329    97.665   ?       ?       73.225  5.5378  0.000000       5.537811 
1 1 1 -19 -17 34 o 104.336 5.6570  1361.28    142.678  0.0000     0.0000   1361.28    142.678  ?       ?       104.336 5.6570  0.000000       5.656968 
1 1 1 -19 -17 35 o 56.567  6.2290  406.508    84.078   0.0000     0.0000   406.508    84.078   ?       ?       56.567  6.2290  0.000000       6.228967 
1 1 1 -19 -17 36 o 77.075  4.1051  734.736    76.495   814.187    110.967  662.793    105.594  80.440  5.7227  72.375  6.0690  8.064957       8.341591 
1 1 1 -19 -17 37 o 68.798  3.9780  585.662    66.123   473.947    89.462   720.178    98.168   61.038  6.1230  75.726  5.3776  -14.68842      8.149268 
1 1 1 -19 -17 38 o 78.122  3.8688  752.801    73.336   665.364    99.950   854.767    107.935  72.539  5.7252  82.431  5.4267  -9.892235      7.888422 
1 1 1 -19 -17 39 o 41.838  4.8107  220.746    47.948   141.179    61.736   341.712    76.120   32.337  7.9290  51.598  6.2043  -19.26134      10.06787 
1 1 1 -19 -17 40 o 22.525  6.8299  65.961     40.572   78.757     48.699   36.926     73.358   24.489  7.4947  21.920  8.8762  2.569679       11.61715 
1 1 1 -19 -17 41 o 21.897  6.8155  61.889     40.079   76.959     47.789   26.160     73.585   24.201  7.4274  21.092  8.7526  3.109385       11.47931 
1 1 1 -19 -17 42 o 45.678  5.5116  266.527    59.852   334.224    73.548   133.795    102.985  50.962  6.0671  31.359  10.974  19.60330       12.53922 
1 1 1 -19 -17 43 o 50.406  4.8336  320.583    58.393   258.083    74.090   423.058    94.870   44.171  7.1578  56.843  7.0282  -12.67181      10.03144 
1 1 1 -19 -17 44 o 28.339  6.4984  106.877    43.732   82.804     53.661   154.485    75.463   25.000  7.9021  33.217  9.0959  -8.217283      12.04906 
1 1 1 -19 -17 45 o 72.849  4.0740  661.351    71.724   508.831    97.479   841.407    105.913  62.576  6.5156  81.412  5.3922  -18.83584      8.457482 
1 1 1 -19 -17 46 o 43.740  8.2186  262.106    84.021   310.290    164.285  245.038    97.776   43.511  13.834  41.248  9.8961  2.263344       17.00942 
1 1 1 -19 -17 47 o 43.027  8.1724  254.827    82.201   387.741    155.888  203.636    96.744   49.325  12.884  37.147  10.349  12.17889       16.52561 
1 1 1 -19 -17 48 o 28.827  6.5527  112.090    44.795   121.124    54.211   92.643     79.534   29.618  7.5275  26.518  9.6043  3.100121       12.20265 
1 1 1 -19 -17 49 o 46.848  4.7786  280.131    53.559   270.747    70.908   292.597    81.727   45.021  6.6948  46.295  7.5346  -1.274399      10.07922 
1 1 1 -19 -17 50 o 49.685  4.5107  313.957    53.786   295.622    71.169   338.376    82.135   47.147  6.3855  50.105  6.9424  -2.957680      9.432468 
1 1 1 -19 -17 51 o 60.841  4.2240  468.276    61.970   434.949    83.419   509.319    92.572   57.390  6.0832  62.016  6.2366  -4.625355      8.712082 
1 1 1 -19 -17 52 o 41.927  4.9519  227.795    49.404   275.164    63.610   155.781    78.431   45.558  5.8924  32.076  9.4426  13.48176       11.13031 
1 1 1 -19 -17 53 o 24.438  7.3813  84.181     47.455   80.265     57.775   92.303     83.198   23.993  8.2293  25.775  9.7331  -1.782171      12.74575 
1 1 1 -19 -17 54 o 33.179  6.2437  150.374    48.421   161.051    60.847   131.938    79.959   33.479  7.6568  29.225  9.6792  4.253428       12.34155 
1 1 1 -19 -17 55 o 32.547  7.3045  150.932    56.268   114.598    64.454   267.345    115.371  27.675  8.6478  39.630  11.392  -11.95485      14.30224 
1 1 1 -19 -17 56 o 12.396  5.7506  -27.3369   41.347   -46.6383   45.615   61.564     97.897   12.067  5.7338  23.876  10.016  -11.80941      11.54124 
1 1 1 -19 -17 57 o 20.105  7.1281  52.578     43.562   64.308     52.413   26.373     78.337   21.882  7.8123  20.413  8.7750  1.469244       11.74871 
1 1 1 -19 -17 58 o 37.296  6.0143  188.096    52.575   202.019    65.010   161.773    89.385   37.765  7.3591  31.713  10.217  6.052191       12.59172 
1 1 1 -19 -17 59 o 16.523  7.9780  -103.9495  96.566   -312.0615  245.130  -65.7208   105.061  22.474  11.202  18.558  8.7840  3.916594       14.23530 
1 1 1 -19 -17 60 o 33.107  11.591  192.564    114.899  20.775     272.487  229.715    126.716  28.376  13.627  35.428  12.185  -7.051897      18.28020 
1 1 1 -19 -17 61 o 15.435  7.6110  -160.7712  102.121  -412.4565  246.154  -108.4463  112.236  20.950  10.550  17.685  8.5547  3.265373       13.58261 
1 1 1 -19 -16 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -16 2  o 69.976  5.1809  609.575    87.342   458.251    150.432  686.529    107.275  58.002  11.093  73.960  6.0303  -15.95731      12.62619 
1 1 1 -19 -16 3  o 25.197  5.2152  81.317     30.834   4.1410     68.069   101.240    34.585   19.280  8.2309  28.177  5.2519  -8.896200      9.763690 
1 1 1 -19 -16 4  o 34.590  4.3543  149.244    35.736   86.621     62.210   180.085    43.657   26.328  8.5282  37.932  4.8548  -11.60400      9.813233 
1 1 1 -19 -16 5  o 66.569  3.6403  543.738    58.577   452.651    94.237   601.091    74.778   59.930  6.5895  69.817  4.4372  -9.887299      7.944164 
1 1 1 -19 -16 6  o 114.178 3.8942  1595.91    107.887  1405.81    167.678  1730.20    140.933  106.113 6.5444  118.576 4.8984  -12.46342      8.174560 
1 1 1 -19 -16 7  o 84.264  5.5678  880.060    113.198  798.238    187.479  927.003    142.005  78.369  10.094  86.029  6.8599  -7.660172      12.20428 
1 1 1 -19 -16 8  o 59.962  5.8649  448.168    84.237   504.348    143.217  418.451    104.160  62.265  9.8036  57.378  7.6738  4.887146       12.44983 
1 1 1 -19 -16 9  o 24.745  5.5139  78.323     32.259   89.127     51.152   71.188     41.567   26.399  7.5843  23.678  6.8469  2.720964       10.21773 
1 1 1 -19 -16 10 o 89.619  3.7420  981.011    81.370   873.316    126.497  1057.03    106.276  83.829  6.2643  92.721  4.7397  -8.891571      7.855278 
1 1 1 -19 -16 11 o 67.381  3.7233  556.037    60.637   674.141    94.504   473.389    79.057   73.877  5.3074  61.840  5.3206  12.03710       7.515121 
1 1 1 -19 -16 12 o 67.042  4.0895  551.389    66.207   500.976    103.712  586.063    86.013   63.245  6.8688  68.900  5.1829  -5.655674      8.604799 
1 1 1 -19 -16 13 o 130.596 4.2295  2085.34    134.025  1672.14    203.232  2403.34    178.288  115.859 7.2661  139.906 5.2519  -24.04778      8.965471 
1 1 1 -19 -16 14 o 17.812  7.1765  18.552     47.693   68.170     74.733   -15.5411   61.948   25.482  9.2975  17.258  7.6037  8.223948       12.01079 
1 1 1 -19 -16 15 o 93.043  4.1789  1057.99    94.343   888.772    147.531  1175.06    122.713  84.363  7.2785  97.728  5.1936  -13.36555      8.941455 
1 1 1 -19 -16 16 o 119.553 4.1760  1746.64    121.141  1676.21    187.829  1796.80    158.514  116.283 6.6852  120.965 5.4007  -4.681343      8.594121 
1 1 1 -19 -16 17 o 39.907  5.7172  199.633    53.779   234.151    83.523   175.188    70.287   42.629  8.3736  36.821  8.0882  5.807789       11.64205 
1 1 1 -19 -16 18 o 21.517  7.5832  50.915     49.231   35.345     74.503   62.983     65.591   22.636  9.0215  24.249  8.7307  -1.613512      12.55435 
1 1 1 -19 -16 19 o 114.534 8.8108  1651.65    242.980  1651.65    242.980  0.0000     0.0000   114.534 8.8108  ?       ?       0.000000       8.810808 
1 1 1 -19 -16 20 o 107.040 8.9267  1445.53    229.731  1445.53    229.731  0.0000     0.0000   107.040 8.9267  ?       ?       0.000000       8.926714 
1 1 1 -19 -16 21 o 26.696  8.7499  86.430     65.405   86.430     65.405   0.0000     0.0000   26.696  8.7499  ?       ?       0.000000       8.749896 
1 1 1 -19 -16 22 o 139.277 4.1697  2371.28    140.911  2186.39    200.791  2550.69    197.798  133.124 6.2162  143.992 5.6613  -10.86801      8.407857 
1 1 1 -19 -16 23 o 85.828  3.7513  899.372    78.122   742.801    111.579  1049.93    109.414  77.404  5.9875  92.404  4.8974  -14.99993      7.735301 
1 1 1 -19 -16 24 o 66.827  4.6691  549.890    75.232   464.158    123.846  600.028    94.710   60.237  8.7276  69.588  5.6581  -9.351852      10.40125 
1 1 1 -19 -16 25 o 91.401  3.9051  1021.03    86.605   1113.52    125.801  937.711    119.404  94.961  5.4831  87.059  5.6837  7.902565       7.897415 
1 1 1 -19 -16 26 o 31.363  5.9861  125.364    43.892   148.637    66.039   106.947    58.744   33.786  8.1498  28.798  8.0788  4.988508       11.47544 
1 1 1 -19 -16 27 o 59.294  7.8289  447.251    109.881  245.516    191.728  545.921    134.087  43.370  14.984  65.280  8.6805  -21.91030      17.31716 
1 1 1 -19 -16 28 o 97.873  6.3807  1193.48    150.700  856.537    254.653  1375.08    186.951  79.101  13.768  104.617 7.4128  -25.51534      15.63677 
1 1 1 -19 -16 29 o 123.898 6.1844  1904.91    185.919  2326.75    306.419  1659.13    233.892  134.672 9.4368  114.229 8.4996  20.44360       12.70025 
1 1 1 -19 -16 30 o 66.635  4.1522  546.646    66.801   579.754    97.530   517.390    91.682   68.119  5.9608  64.330  5.9408  3.788902       8.415675 
1 1 1 -19 -16 31 o 40.743  5.4501  208.852    52.528   305.679    77.250   125.579    71.639   49.054  6.6627  30.953  8.9997  18.10121       11.19760 
1 1 1 -19 -16 32 o 32.144  8.1546  136.299    63.701   0.0000     0.0000   136.299    63.701   ?       ?       32.144  8.1546  0.000000       8.154577 
1 1 1 -19 -16 33 o 88.353  5.6065  973.851    119.570  0.0000     0.0000   973.851    119.570  ?       ?       88.353  5.6065  0.000000       5.606537 
1 1 1 -19 -16 34 o 90.834  5.6383  1031.24    123.656  0.0000     0.0000   1031.24    123.656  ?       ?       90.834  5.6383  0.000000       5.638349 
1 1 1 -19 -16 35 o 142.842 4.3135  2516.67    149.503  2577.06    215.949  2461.09    207.182  143.289 6.2112  140.115 6.0940  3.173630       8.701482 
1 1 1 -19 -16 36 o 111.727 4.0012  1537.66    108.470  1387.34    152.726  1690.66    154.083  104.974 6.0213  116.401 5.4555  -11.42735      8.125155 
1 1 1 -19 -16 37 o 55.890  4.0779  387.334    54.919   390.909    74.143   382.988    81.747   55.640  5.5666  54.788  6.2617  0.8519325      8.378313 
1 1 1 -19 -16 38 o 80.060  3.8677  790.222    75.133   716.544    103.687  871.678    109.021  75.337  5.7148  83.286  5.4244  -7.949928      7.879268 
1 1 1 -19 -16 39 o 127.561 4.1190  2012.43    127.491  1816.58    180.572  2207.11    180.028  119.586 6.2448  132.524 5.5986  -12.93817      8.387019 
1 1 1 -19 -16 40 o 23.596  6.9084  73.038     42.083   59.558     50.401   104.072    76.476   22.161  7.6813  28.160  9.4690  -5.999254      12.19277 
1 1 1 -19 -16 41 o 16.853  6.4658  26.272     37.084   61.607     43.738   -64.0875   69.944   22.020  7.1523  15.464  7.2728  6.556590       10.20045 
1 1 1 -19 -16 42 o 40.733  4.7395  209.627    45.967   219.867    65.926   199.938    64.125   40.879  6.8915  38.870  7.0590  2.008995       9.865236 
1 1 1 -19 -16 43 o 39.761  5.1262  201.357    48.304   170.669    61.914   249.092    77.219   35.680  7.3945  43.165  7.6529  -7.484711      10.64171 
1 1 1 -19 -16 44 o 57.162  4.2017  408.017    57.867   426.666    77.742   384.848    86.655   57.832  5.6108  54.334  6.7159  3.497948       8.751282 
1 1 1 -19 -16 45 o 13.728  5.9730  -3.1278    37.178   -4.0614    46.144   -1.4005    62.767   15.185  6.6294  17.779  7.7479  -2.594612      10.19698 
1 1 1 -19 -16 46 o 65.397  6.5640  556.908    102.753  531.890    195.938  566.398    120.678  57.190  14.188  65.074  7.7982  -7.884125      16.19001 
1 1 1 -19 -16 47 o 90.728  6.3275  1066.80    138.423  998.802    243.315  1099.34    168.316  80.360  12.916  90.722  7.7196  -10.36198      15.04716 
1 1 1 -19 -16 48 o 54.669  4.4536  377.140    58.562   317.754    76.285   462.359    91.383   49.052  6.5749  59.377  6.4464  -10.32487      9.207830 
1 1 1 -19 -16 49 o 23.321  6.6359  73.463     39.344   102.402    49.747   25.132     64.289   27.234  7.3552  19.636  8.1675  7.597969       10.99126 
1 1 1 -19 -16 50 o 35.686  5.4628  166.649    45.796   181.036    59.174   145.162    72.314   36.466  6.9414  31.573  9.0009  4.892965       11.36656 
1 1 1 -19 -16 51 o 60.061  4.2766  456.624    61.917   413.113    83.204   510.622    92.689   55.826  6.2497  62.132  6.2323  -6.305771      8.826102 
1 1 1 -19 -16 52 o 35.356  5.4861  164.936    45.539   151.607    58.069   186.226    73.391   32.812  7.4623  35.723  8.5756  -2.911514      11.36781 
1 1 1 -19 -16 53 f 22.824  7.4032  71.887     46.867   19.880     55.230   205.684    88.587   17.922  7.5211  36.455  9.8025  -18.53267      12.35534 
1 1 1 -19 -16 54 o 16.918  6.8015  24.907     42.739   -22.7045   48.840   180.538    88.303   13.963  6.3948  33.761  10.040  -19.79755      11.90355 
1 1 1 -19 -16 55 o 15.430  6.5325  10.506     42.264   8.4354     44.887   26.678     125.459  15.611  6.6746  23.696  10.607  -8.085732      12.53204 
1 1 1 -19 -16 56 o 19.450  7.1240  46.917     43.937   56.140     46.294   -36.7745   139.454  20.695  7.3471  22.170  10.376  -1.475298      12.71408 
1 1 1 -19 -16 57 o 21.737  6.5015  65.225     36.950   97.821     41.067   -73.3292   84.668   26.513  6.4461  16.289  7.7605  10.22379       10.08849 
1 1 1 -19 -16 58 o 21.713  7.0939  64.709     43.003   77.793     51.072   32.833     79.714   23.506  7.7333  21.004  8.9353  2.502613       11.81711 
1 1 1 -19 -16 59 o 21.456  9.7327  -0.9758    109.714  -389.9743  233.767  108.916    124.249  21.040  10.554  27.684  11.421  -6.644321      15.55062 
1 1 1 -19 -16 60 o 25.120  10.532  76.264     108.121  77.354     262.418  76.041     118.661  29.397  13.905  25.515  10.879  3.881865       17.65510 
1 1 1 -19 -16 61 o 28.483  11.762  131.277    131.962  0.0000     0.0000   131.277    131.962  ?       ?       28.483  11.762  0.000000       11.76223 
1 1 1 -19 -15 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -15 2  f 50.946  5.0291  323.341    61.357   192.108    100.989  400.126    77.249   37.748  10.594  56.526  5.7106  -18.77795      12.03477 
1 1 1 -19 -15 3  o 79.062  3.9194  765.861    75.188   875.256    151.147  729.889    86.672   83.106  7.5789  76.890  4.6677  6.215752       8.900980 
1 1 1 -19 -15 4  o 121.425 3.9628  1805.67    116.754  1648.00    182.761  1914.38    151.757  114.887 6.5836  124.676 5.0165  -9.788940      8.277016 
1 1 1 -19 -15 5  o 67.608  3.5884  560.101    58.656   564.538    95.040   557.370    74.547   67.322  5.8771  67.230  4.5975  0.9210205E-01  7.461679 
1 1 1 -19 -15 6  o 70.997  3.6181  617.331    62.122   542.523    98.834   666.187    79.871   65.915  6.2544  73.577  4.4955  -7.661392      7.702408 
1 1 1 -19 -15 7  o 192.265 7.2704  4603.07    339.174  3899.96    515.526  5139.70    450.377  172.448 12.403  201.605 9.2068  -29.15742      15.44697 
1 1 1 -19 -15 8  o 115.601 5.7319  1646.48    160.777  1644.36    258.374  1647.82    205.385  113.700 9.4510  114.840 7.4103  -1.140099      12.00973 
1 1 1 -19 -15 9  o 151.520 4.2940  2808.46    157.868  2666.61    239.006  2918.25    210.265  146.773 6.7112  153.998 5.6271  -7.225204      8.758127 
1 1 1 -19 -15 10 o 119.913 3.9908  1756.48    116.117  1466.18    178.199  1970.70    153.077  108.656 6.7932  126.775 4.9764  -18.11941      8.420902 
1 1 1 -19 -15 11 o 82.156  3.7001  823.531    73.759   806.875    114.434  835.369    96.472   80.767  5.8796  82.439  4.8441  -1.671631      7.618087 
1 1 1 -19 -15 12 o 60.280  4.3257  446.413    62.848   477.875    101.046  426.561    80.262   61.819  6.8517  58.642  5.7133  3.176819       8.921186 
1 1 1 -19 -15 13 o 78.694  4.1254  758.393    78.498   648.946    125.288  829.119    100.716  72.045  7.2663  82.098  5.0809  -10.05205      8.866507 
1 1 1 -19 -15 14 o 83.941  4.0883  860.392    83.269   812.920    133.683  890.487    106.439  80.839  6.8808  85.077  5.1808  -4.238091      8.613141 
1 1 1 -19 -15 15 o 89.549  3.9931  978.847    86.764   801.519    135.391  1102.42    113.023  80.233  7.0253  94.757  4.9328  -14.52397      8.584149 
1 1 1 -19 -15 16 o 114.007 4.1073  1587.04    113.619  1401.55    174.053  1724.77    149.983  106.348 6.7805  118.620 5.2110  -12.27184      8.551564 
1 1 1 -19 -15 17 o 21.755  7.5732  52.882     49.018   -0.6736    75.491   91.923     64.454   20.169  8.6406  27.307  8.6635  -7.137585      12.23587 
1 1 1 -19 -15 18 o 97.990  9.3963  1214.01    220.671  1214.01    220.671  0.0000     0.0000   97.990  9.3963  ?       ?       0.000000       9.396278 
1 1 1 -19 -15 19 o 87.581  6.5454  950.912    138.089  950.912    138.089  0.0000     0.0000   87.581  6.5454  ?       ?       0.000000       6.545384 
1 1 1 -19 -15 20 o 88.925  6.5902  980.644    141.184  980.644    141.184  0.0000     0.0000   88.925  6.5902  ?       ?       0.000000       6.590198 
1 1 1 -19 -15 21 o 73.446  5.1760  664.552    91.650   607.425    118.073  751.144    145.368  69.733  7.0763  77.378  7.8514  -7.644661      10.56966 
1 1 1 -19 -15 22 o 57.004  4.3320  399.466    59.471   354.424    80.680   453.058    88.005   53.253  6.3704  60.364  6.0917  -7.111130      8.814238 
1 1 1 -19 -15 23 o 77.677  3.7297  736.268    70.297   794.294    103.289  686.198    95.946   80.268  5.3337  74.580  5.3372  5.687454       7.545469 
1 1 1 -19 -15 24 o 124.065 3.9771  1880.17    119.725  2019.33    173.283  1753.05    165.611  128.156 5.5725  119.366 5.7180  8.790100       7.984290 
1 1 1 -19 -15 25 o 149.105 4.2932  2719.70    155.325  2982.10    224.993  2480.77    214.694  155.537 5.9617  141.754 6.2420  13.78281       8.631590 
1 1 1 -19 -15 26 o 110.923 3.9883  1503.99    107.343  1630.99    156.390  1390.87    147.603  115.093 5.6001  106.092 5.7554  9.000977       8.030278 
1 1 1 -19 -15 27 o 199.139 7.4751  4945.62    361.193  4598.05    552.924  5204.34    477.042  187.491 12.221  202.396 9.7139  -14.90463      15.61117 
1 1 1 -19 -15 28 o 66.049  7.1690  549.477    113.046  642.168    203.257  507.963    136.025  69.071  12.592  62.737  9.2099  6.334114       15.60050 
1 1 1 -19 -15 29 o 82.366  6.5979  848.245    130.755  775.742    228.635  883.484    159.394  75.708  12.909  83.517  7.9621  -7.808914      15.16715 
1 1 1 -19 -15 30 o 130.600 4.1424  2090.73    131.267  2223.69    189.992  1969.30    181.573  134.011 5.8429  126.072 5.9357  7.939171       8.328986 
1 1 1 -19 -15 31 o 85.800  5.4826  913.957    113.543  0.0000     0.0000   913.957    113.543  ?       ?       85.800  5.4826  0.000000       5.482574 
1 1 1 -19 -15 32 o 60.093  6.3193  454.761    90.762   0.0000     0.0000   454.761    90.762   ?       ?       60.093  6.3193  0.000000       6.319324 
1 1 1 -19 -15 33 o 14.315  6.4346  -20.1884   46.697   0.0000     0.0000   -20.1884   46.697   ?       ?       14.315  6.4346  0.000000       6.434611 
1 1 1 -19 -15 34 o 31.383  6.5002  127.744    47.869   146.031    70.576   112.164    65.144   33.100  8.6803  29.223  8.6065  3.877428       12.22377 
1 1 1 -19 -15 35 o 30.632  5.5521  120.197    39.746   122.997    50.126   115.454    65.233   30.648  6.9060  29.544  8.5872  1.104082       11.01972 
1 1 1 -19 -15 36 o 22.739  6.4135  66.964     36.919   53.908     46.380   89.542     60.993   21.354  7.3704  26.394  8.4334  -5.039789      11.20024 
1 1 1 -19 -15 37 f 65.676  3.9470  533.199    62.606   576.415    87.630   488.141    89.477   67.771  5.3730  62.068  6.0168  5.703308       8.066661 
1 1 1 -19 -15 38 o 40.588  4.5837  206.692    44.350   219.307    59.204   190.561    66.950   41.328  6.0861  37.938  7.5387  3.390545       9.688822 
1 1 1 -19 -15 39 o 97.950  3.8199  1182.95    90.786   1137.38    129.177  1227.44    127.618  95.008  5.6286  98.892  5.3382  -3.883865      7.757401 
1 1 1 -19 -15 40 o 93.082  5.0527  1085.53    113.690  1102.28    145.869  1059.60    181.461  92.838  6.5168  89.474  8.4587  3.363770       10.67789 
1 1 1 -19 -15 41 o 99.102  5.1340  1232.88    123.030  1265.31    158.397  1183.54    195.333  99.319  6.6105  94.275  8.6351  5.044182       10.87492 
1 1 1 -19 -15 42 o 43.778  4.4839  240.689    46.957   151.912    65.400   335.151    67.462   33.400  8.1435  51.328  5.5026  -17.92817      9.828241 
1 1 1 -19 -15 43 o 14.068  5.9281  5.1177     34.540   2.6859     41.425   10.665     62.566   15.022  6.4172  18.685  7.9315  -3.662544      10.20244 
1 1 1 -19 -15 44 o 20.918  6.6468  55.967     37.927   113.278    46.334   -60.4247   66.029   29.160  6.6905  15.018  7.0642  14.14231       9.729615 
1 1 1 -19 -15 45 f 40.646  4.9546  210.061    47.853   238.508    62.602   170.077    74.218   42.824  6.2056  34.958  8.7659  7.865734       10.74012 
1 1 1 -19 -15 46 o 27.215  9.0587  99.643     70.003   197.699    133.722  62.626     82.160   36.216  12.514  24.409  9.5525  11.80694       15.74329 
1 1 1 -19 -15 47 o 64.684  6.7107  548.151    103.791  324.746    197.473  633.423    122.002  43.205  15.191  69.043  7.3978  -25.83763      16.89689 
1 1 1 -19 -15 48 o 34.912  5.5004  158.585    45.052   164.178    57.998   150.075    71.540   34.811  7.1068  32.488  8.8398  2.323078       11.34234 
1 1 1 -19 -15 49 o 20.708  6.7957  55.529     39.447   69.659     48.579   28.174     67.592   22.930  7.5421  20.218  8.3892  2.711668       11.28104 
1 1 1 -19 -15 50 o 13.350  5.8085  -1.8286    35.161   -31.7474   43.492   54.620     59.739   12.671  5.8850  21.738  8.2382  -9.067378      10.12429 
1 1 1 -19 -15 51 o 20.176  6.7149  52.931     38.466   120.970    47.105   -83.2448   66.641   29.709  6.6949  13.899  6.6905  15.81060       9.464925 
1 1 1 -19 -15 52 o 43.126  5.2587  242.425    53.889   272.345    67.099   188.060    90.447   45.096  6.3045  34.857  10.106  10.23954       11.91109 
1 1 1 -19 -15 53 o 42.691  5.7185  241.468    57.747   186.895    70.238   355.297    101.440  35.897  8.2386  49.373  8.7897  -13.47697      12.04712 
1 1 1 -19 -15 54 o 17.433  6.5975  33.574     38.279   38.376     42.917   14.891     84.650   18.426  6.9827  20.393  8.9390  -1.966681      11.34304 
1 1 1 -19 -15 55 o 14.797  6.4528  0.7335     43.604   -10.6320   45.927   104.660    138.878  14.294  6.4063  27.953  11.838  -13.65905      13.46070 
1 1 1 -19 -15 56 f 14.399  6.2185  3.1408     39.702   9.3115     41.837   -52.7440   125.902  15.266  6.4834  20.773  9.7659  -5.506717      11.72211 
1 1 1 -19 -15 57 o 11.688  5.3666  -19.7457   34.704   -17.9452   38.212   -28.2237   82.916   12.479  5.6927  17.963  8.2654  -5.484051      10.03608 
1 1 1 -19 -15 58 o 13.955  6.0113  3.0655     36.909   20.936     41.011   -73.0927   84.663   16.293  6.6227  16.334  7.7758  -0.4097176E-01 10.21389 
1 1 1 -19 -15 59 o 29.786  11.553  143.006    119.346  182.023    265.847  133.158    133.562  32.415  14.872  29.288  11.934  3.126932       19.06826 
1 1 1 -19 -15 60 o 20.116  9.2344  -17.6733   102.686  3.0074     257.142  -21.5969   112.004  27.804  13.321  20.685  9.5497  7.118414       16.39072 
1 1 1 -19 -15 61 o 28.481  11.310  132.658    116.697  109.539    249.875  139.108    131.973  29.361  13.789  28.934  11.834  0.4271374      18.17078 
1 1 1 -19 -14 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -19 -14 2  o 64.643  4.9653  517.562    77.286   393.584    124.883  594.521    98.392   54.678  9.7715  69.019  5.9330  -14.34068      11.43168 
1 1 1 -19 -14 3  o 110.600 4.2331  1499.28    113.601  1246.63    217.409  1594.16    133.236  98.645  9.1889  113.874 4.8221  -15.22882      10.37729 
1 1 1 -19 -14 4  o 49.027  2.1889  292.359    26.039   284.262    41.530   297.605    33.426   48.110  3.5834  49.346  2.8032  -1.236141      4.549577 
1 1 1 -19 -14 5  f 104.900 3.7761  1344.54    96.113   1215.58    150.756  1432.85    124.755  98.927  6.3134  108.066 4.7578  -9.138519      7.905433 
1 1 1 -19 -14 6  o 166.260 4.5679  3386.55    184.275  2875.33    278.357  3785.38    245.864  151.921 7.5513  175.264 5.7815  -23.34312      9.510350 
1 1 1 -19 -14 7  o 160.672 6.3553  3188.25    247.764  3203.24    384.653  3177.62    323.909  158.694 10.041  159.148 8.4179  -0.4535980     13.10302 
1 1 1 -19 -14 8  o 99.965  5.7141  1232.90    138.025  923.128    220.831  1431.50    176.817  84.484  11.036  107.371 6.8224  -22.88694      12.97485 
1 1 1 -19 -14 9  o 117.426 3.8896  1683.10    110.823  1681.45    170.462  1684.31    145.854  116.719 6.0396  117.205 5.1287  -0.4857330     7.923444 
1 1 1 -19 -14 10 o 62.102  3.8643  472.411    57.941   478.165    90.433   468.405    75.465   62.049  6.0850  61.621  5.0929  0.4279175      7.935019 
1 1 1 -19 -14 11 o 74.557  3.8444  679.948    69.311   546.767    107.297  775.319    90.798   66.232  6.7718  79.468  4.7303  -13.23541      8.260357 
1 1 1 -19 -14 12 o 88.966  4.0571  966.108    87.580   914.693    140.853  998.515    111.826  85.837  6.8190  90.140  5.1340  -4.302917      8.535628 
1 1 1 -19 -14 13 o 32.639  6.1402  135.151    46.843   67.524     73.935   180.503    60.546   25.426  9.2521  37.690  6.8739  -12.26404      11.52615 
1 1 1 -19 -14 14 f 103.262 3.9794  1300.99    99.706   1305.82    153.911  1297.50    130.883  102.861 6.1956  102.774 5.2662  0.8708954E-01  8.131339 
1 1 1 -19 -14 15 o 38.952  5.6640  189.921    51.964   273.682    82.696   135.270    66.798   46.454  7.5994  32.388  8.4213  14.06606       11.34326 
1 1 1 -19 -14 16 o 77.915  3.7944  740.273    71.735   693.576    100.695  788.393    102.218  74.998  5.5732  80.047  5.2927  -5.048180      7.685946 
1 1 1 -19 -14 17 f 83.093  4.4217  845.786    88.829   819.204    107.612  902.630    157.366  81.564  5.4692  85.038  7.7105  -3.473686      9.453221 
1 1 1 -19 -14 18 f 32.706  7.7283  137.702    60.358   137.702    60.358   0.0000     0.0000   32.706  7.7283  ?       ?       0.000000       7.728319 
1 1 1 -19 -14 19 o 90.359  6.5950  1011.11    143.596  1011.11    143.596  0.0000     0.0000   90.359  6.5950  ?       ?       0.000000       6.595036 
1 1 1 -19 -14 20 o 21.556  8.0772  43.908     57.064   48.459     66.474   31.159     111.257  22.969  8.6937  26.164  10.802  -3.194979      13.86586 
1 1 1 -19 -14 21 o 88.668  5.3714  967.438    115.018  898.059    143.712  1091.07    191.840  84.986  7.0323  93.208  8.5788  -8.221489      11.09273 
1 1 1 -19 -14 22 o 74.184  3.7396  672.871    67.096   761.530    100.003  600.286    90.485   78.643  5.2712  69.757  5.3877  8.885651       7.537453 
1 1 1 -19 -14 23 o 61.183  3.8580  458.569    56.981   541.200    85.291   391.957    76.579   66.211  5.3548  56.208  5.6935  10.00293       7.816021 
1 1 1 -19 -14 24 o 116.681 3.9073  1661.92    110.622  1823.30    160.764  1516.80    152.452  121.864 5.4369  110.951 5.6820  10.91336       7.864111 
1 1 1 -19 -14 25 o 123.672 4.1018  1868.79    123.087  1707.89    181.317  2006.32    167.630  117.474 6.3851  127.810 5.4054  -10.33530      8.365845 
1 1 1 -19 -14 26 o 160.484 5.3552  3164.60    208.529  3385.28    347.131  3040.00    260.838  164.053 8.7522  156.658 6.8620  7.394653       11.12153 
1 1 1 -19 -14 27 o 176.066 6.9197  3846.00    295.615  4160.21    472.250  3643.55    379.068  179.949 10.867  169.685 9.2417  10.26453       14.26514 
1 1 1 -19 -14 28 o 110.987 6.3408  1529.23    170.049  1529.26    298.497  1529.21    206.906  108.223 11.545  110.360 7.7765  -2.136620      13.92021 
1 1 1 -19 -14 29 o 45.531  8.4423  268.527    89.833   -93.1785   219.005  341.696    98.501   29.904  13.637  51.603  8.1364  -21.69889      15.87942 
1 1 1 -19 -14 30 o 116.249 5.5325  1668.34    156.054  0.0000     0.0000   1668.34    156.054  ?       ?       116.249 5.5325  0.000000       5.532528 
1 1 1 -19 -14 31 o 79.061  5.3435  775.065    101.905  0.0000     0.0000   775.065    101.905  ?       ?       79.061  5.3435  0.000000       5.343482 
1 1 1 -19 -14 32 o 160.887 6.2437  3222.10    243.741  0.0000     0.0000   3222.10    243.741  ?       ?       160.887 6.2437  0.000000       6.243741 
1 1 1 -19 -14 33 o 126.616 4.1908  1969.61    128.751  2303.68    191.290  1692.93    174.086  136.162 5.7899  116.381 6.1870  19.78084       8.473627 
1 1 1 -19 -14 34 o 67.986  3.7919  568.738    62.303   546.416    87.971   591.201    88.249   66.112  5.5349  68.860  5.3231  -2.747307      7.679234 
1 1 1 -19 -14 35 o 60.918  3.8534  457.578    56.665   370.064    78.564   552.464    81.806   54.083  6.0930  66.574  5.1031  -12.49105      7.947684 
1 1 1 -19 -14 36 o 72.164  3.7962  641.701    66.237   635.398    93.016   648.186    94.344   71.241  5.4217  71.949  5.4444  -0.7082367     7.683551 
1 1 1 -19 -14 37 o 42.479  4.5191  225.592    45.863   197.088    63.174   257.356    66.689   38.897  6.9486  44.817  6.3071  -5.919746      9.384187 
1 1 1 -19 -14 38 o 46.473  4.2866  269.114    47.792   249.736    66.893   289.320    68.306   44.030  6.4528  47.606  6.0500  -3.575825      8.845426 
1 1 1 -19 -14 39 o 35.794  5.0568  162.642    42.696   133.594    58.008   196.985    63.073   31.597  7.6484  38.777  6.9594  -7.179981      10.34073 
1 1 1 -19 -14 40 f 17.263  6.6571  26.866     39.452   -2.9712    46.228   106.850    75.688   15.382  6.6764  28.474  9.4165  -13.09144      11.54322 
1 1 1 -19 -14 41 o 32.906  6.6584  142.675    51.338   144.704    62.484   138.461    90.060   32.710  7.9504  31.753  10.259  0.9566193      12.97873 
1 1 1 -19 -14 42 o 21.965  6.1968  63.095     34.462   121.926    45.395   -16.9339   52.945   30.441  6.3514  15.413  6.8954  15.02721       9.374767 
1 1 1 -19 -14 43 o 66.238  4.1729  546.142    66.725   550.593    92.706   541.357    96.112   65.704  5.8771  64.987  6.1691  0.7167740      8.520442 
1 1 1 -19 -14 44 o 21.495  7.1510  58.039     43.625   113.454    57.634   -16.3051   66.756   28.895  7.9643  17.420  7.7715  11.47524       11.12775 
1 1 1 -19 -14 45 o 40.915  5.0083  212.926    48.683   240.115    63.813   175.069    75.299   42.936  6.3138  35.485  8.7908  7.451298       10.82327 
1 1 1 -19 -14 46 f 53.478  7.1169  377.618    90.055   274.407    175.687  414.401    104.882  41.080  14.335  55.476  8.0249  -14.39573      16.42867 
1 1 1 -19 -14 47 o 32.922  9.0600  153.467    74.651   233.248    141.561  122.735    87.861   38.518  12.883  29.713  10.149  8.804934       16.40038 
1 1 1 -19 -14 48 o 29.007  6.5152  113.093    44.735   115.631    56.707   108.912    72.794   28.888  7.8744  28.014  9.2333  0.8741226      12.13507 
1 1 1 -19 -14 49 o 14.222  6.0321  5.1868     36.142   36.745     41.235   -99.4145   75.072   18.377  6.8700  14.578  7.0380  3.798599       9.835135 
1 1 1 -19 -14 50 o 33.058  6.7273  148.330    52.125   80.502     63.425   289.483    91.495   24.576  8.6112  45.171  8.6631  -20.59500      12.21481 
1 1 1 -19 -14 51 o 30.679  6.5571  128.208    47.331   140.037    56.715   101.064    85.912   31.621  7.5045  27.032  9.9525  4.589378       12.46478 
1 1 1 -19 -14 52 o 51.198  5.0952  339.078    62.456   324.407    78.084   365.130    104.058  48.968  6.7514  50.247  8.8586  -1.279255      11.13804 
1 1 1 -19 -14 53 o 24.920  7.1886  87.168     45.869   93.817     52.857   66.891     92.303   25.669  7.7984  24.313  9.9152  1.355423       12.61450 
1 1 1 -19 -14 54 o 22.022  7.2750  66.237     45.181   55.415     52.436   97.432     89.022   21.017  7.7687  26.308  10.036  -5.290491      12.69131 
1 1 1 -19 -14 55 o 11.813  5.5049  -29.0968   38.571   -32.2003   40.487   1.3882     126.890  11.977  5.6010  22.846  10.403  -10.86904      11.81522 
1 1 1 -19 -14 56 o 21.183  7.4867  59.154     48.019   57.859     51.425   67.973     134.170  21.192  7.7155  26.063  11.343  -4.871145      13.71856 
1 1 1 -19 -14 57 o 10.710  4.8714  -13.6706   27.723   4.9311     29.287   -174.0296  85.989   12.826  5.4346  13.601  6.7554  -0.7746124     8.670082 
1 1 1 -19 -14 58 o 34.841  5.8486  163.093    47.691   141.160    54.944   230.104    96.041   31.534  7.3216  38.111  10.189  -6.577147      12.54691 
1 1 1 -19 -14 59 o 46.609  12.331  379.765    141.612  0.0000     0.0000   379.765    141.612  ?       ?       46.609  12.331  0.000000       12.33100 
1 1 1 -19 -14 60 o 19.792  9.3809  -66.5552   120.618  0.0000     0.0000   -66.5552   120.618  ?       ?       19.792  9.3809  0.000000       9.380940 
1 1 1 -19 -14 61 o 31.723  11.069  174.564    104.740  -85.5748   332.584  203.205    110.355  27.528  13.604  33.829  11.375  -6.300095      17.73263 
1 1 1 -19 -13 1  o 37.556  4.4324  175.422    39.612   0.0000     0.0000   175.422    39.612   ?       ?       37.556  4.4324  0.000000       4.432409 
1 1 1 -19 -13 2  o 136.230 5.8143  2293.41    192.191  1851.29    290.659  2636.89    256.190  119.868 10.087  145.333 7.2650  -25.46570      12.43115 
1 1 1 -19 -13 3  o 52.695  3.5971  340.655    45.718   300.928    74.188   364.977    58.050   48.904  6.4062  54.400  4.4364  -5.496265      7.792383 
1 1 1 -19 -13 4  o 85.215  3.6944  886.718    76.387   634.042    122.089  1049.26    97.921   71.089  7.1762  92.579  4.3591  -21.48975      8.396386 
1 1 1 -19 -13 5  o 109.279 3.7869  1458.10    100.412  1483.65    158.152  1440.84    129.969  109.560 5.9717  108.388 4.9419  1.171768       7.751408 
1 1 1 -19 -13 6  o 90.248  8.6588  1027.66    187.281  1400.94    241.201  460.985    297.187  105.071 9.5657  57.359  18.644  47.71231       20.95503 
1 1 1 -19 -13 7  o ?       ?       -252.6404  19.010   -144.7774  46.049   -274.7984  20.872   9.0545  4.5601  ?       ?       0.000000       4.560080 
1 1 1 -19 -13 8  o 86.948  5.5897  931.840    117.303  703.875    189.710  1072.95    149.255  73.819  10.921  93.030  6.6561  -19.21107      12.78959 
1 1 1 -19 -13 9  o 106.195 3.8160  1375.54    98.327   1234.40    150.502  1480.66    129.878  99.968  6.2357  109.994 4.8664  -10.02568      7.909832 
1 1 1 -19 -13 10 o 68.501  3.8680  574.124    64.027   461.013    97.718   659.215    84.755   60.798  6.7374  73.259  4.7945  -12.46182      8.269182 
1 1 1 -19 -13 11 o 44.297  4.5488  242.240    48.197   242.037    73.969   242.391    63.536   43.722  7.2248  44.007  6.1155  -0.2853317     9.465573 
1 1 1 -19 -13 12 o 92.120  3.9878  1035.17    89.136   892.183    138.952  1135.15    116.192  84.823  6.8087  96.192  4.9954  -11.36912      8.444695 
1 1 1 -19 -13 13 o 43.013  5.4075  230.132    55.189   160.417    90.135   271.945    69.804   35.293  10.045  46.620  6.3349  -11.32687      11.87533 
1 1 1 -19 -13 14 f 118.932 3.9002  1724.80    112.552  1728.25    161.735  1721.56    156.729  118.728 5.6142  118.534 5.4493  0.1939850      7.823907 
1 1 1 -19 -13 15 f 122.210 3.9099  1821.18    115.941  1733.46    166.251  1904.23    161.772  118.878 5.7637  124.691 5.3469  -5.813019      7.861929 
1 1 1 -19 -13 16 f 33.091  5.5565  137.755    43.033   111.978    58.209   168.821    63.904   29.567  7.9441  36.324  7.4989  -6.757401      10.92441 
1 1 1 -19 -13 17 o 117.880 5.6444  1703.73    161.445  1703.73    161.445  0.0000     0.0000   117.880 5.6444  ?       ?       0.000000       5.644426 
1 1 1 -19 -13 18 o 116.958 5.6505  1677.32    160.354  1677.32    160.354  0.0000     0.0000   116.958 5.6505  ?       ?       0.000000       5.650492 
1 1 1 -19 -13 19 o 43.168  7.0821  235.609    71.608   238.172    83.887   228.723    137.470  43.118  8.3195  41.951  12.539  1.167427       15.04772 
1 1 1 -19 -13 20 o 99.136  5.4016  1207.75    129.443  1135.08    163.171  1331.12    212.607  95.658  7.0803  103.124 8.5745  -7.465858      11.11997 
1 1 1 -19 -13 21 o 32.530  7.2767  135.758    55.998   108.232    78.031   164.987    80.409   29.688  9.5445  35.686  9.2204  -5.998280      13.27073 
1 1 1 -19 -13 22 o 70.770  4.2277  613.652    72.264   818.889    120.794  499.258    90.182   81.381  6.1630  63.486  5.9227  17.89484       8.547585 
1 1 1 -19 -13 23 o 106.189 3.8050  1375.34    98.037   1459.26    142.421  1299.77    135.156  109.090 5.3805  102.806 5.4375  6.283699       7.649592 
1 1 1 -19 -13 24 o 86.357  3.7869  909.730    79.351   982.749    116.036  845.586    108.755  89.352  5.3771  82.844  5.4406  6.507591       7.649417 
1 1 1 -19 -13 25 o 11.591  5.3603  -29.0399   35.513   -102.0690  67.879   -1.5166    41.672   13.973  6.7324  14.975  6.4177  -1.002920      9.301245 
1 1 1 -19 -13 26 f 71.667  4.1764  629.795    72.310   628.228    118.247  630.732    91.389   70.919  6.9615  71.490  5.3063  -0.5710373     8.753233 
1 1 1 -19 -13 27 o 111.863 6.2012  1548.81    167.658  2117.68    308.329  1310.00    199.773  128.962 9.9298  102.114 8.1302  26.84879       12.83363 
1 1 1 -19 -13 28 o 88.155  6.3031  965.366    133.936  1221.55    268.862  880.808    154.466  96.661  11.702  83.706  7.6913  12.95512       14.00311 
1 1 1 -19 -13 29 o 62.612  7.6833  496.596    114.276  0.0000     0.0000   496.596    114.276  ?       ?       62.612  7.6833  0.000000       7.683277 
1 1 1 -19 -13 30 o 152.937 6.0558  2895.10    224.723  0.0000     0.0000   2895.10    224.723  ?       ?       152.937 6.0558  0.000000       6.055802 
1 1 1 -19 -13 31 o 39.249  7.0849  197.873    64.990   0.0000     0.0000   197.873    64.990   ?       ?       39.249  7.0849  0.000000       7.084885 
1 1 1 -19 -13 32 o 44.137  5.4343  244.244    56.969   320.594    98.802   206.218    69.728   49.655  8.5065  39.929  7.4716  9.725861       11.32193 
1 1 1 -19 -13 33 o 91.082  3.7807  1016.54    83.554   1004.91    117.698  1028.35    118.633  89.940  5.4186  90.994  5.3973  -1.054466      7.647994 
1 1 1 -19 -13 34 o 81.337  3.7658  811.246    74.321   746.210    104.641  877.451    105.577  77.319  5.6160  84.036  5.2033  -6.716232      7.655966 
1 1 1 -19 -13 35 o 25.304  6.1734  83.182     37.567   107.153    50.729   54.073     55.902   28.567  7.2934  22.199  8.0501  6.368052       10.86268 
1 1 1 -19 -13 36 o 59.822  3.9585  442.014    57.134   390.718    79.417   497.046    82.258   55.588  5.9821  62.975  5.4365  -7.386757      8.083426 
1 1 1 -19 -13 37 o 41.526  4.5896  215.811    45.471   224.057    62.187   206.336    66.657   41.770  6.3344  39.752  7.1746  2.017963       9.570809 
1 1 1 -19 -13 38 f 39.519  4.6250  196.024    43.510   181.231    59.518   213.004    63.765   37.266  6.8341  40.517  6.7216  -3.251286      9.585653 
1 1 1 -19 -13 39 o 79.178  4.5885  780.248    87.775   777.628    104.787  786.412    160.701  78.601  5.5296  77.023  8.7542  1.577736       10.35436 
1 1 1 -19 -13 40 o 45.892  5.5227  267.711    60.262   291.053    73.264   218.885    105.962  47.466  6.5346  39.247  10.791  8.218613       12.61564 
1 1 1 -19 -13 41 o 50.361  5.4417  321.763    65.439   384.513    78.987   184.437    116.850  54.838  6.0362  35.962  11.691  18.87599       13.15721 
1 1 1 -19 -13 42 o 9.2686  4.4458  -39.9749   28.821   -18.4125   36.699   -74.6733   46.554   12.438  5.6369  11.251  5.4587  1.187152       7.846792 
1 1 1 -19 -13 43 o 50.375  4.6960  318.926    56.738   315.520    80.704   322.254    79.783   49.120  6.9665  49.736  6.7883  -0.6163254     9.726936 
1 1 1 -19 -13 44 o 37.859  5.7033  184.761    50.766   165.973    71.069   204.335    72.541   34.744  8.5001  38.876  7.9581  -4.132645      11.64401 
1 1 1 -19 -13 45 o 14.316  6.3856  -13.4035   45.049   -7.0158    59.949   -21.6897   68.279   17.052  7.4975  17.283  7.7737  -0.2311115     10.80018 
1 1 1 -19 -13 46 o 53.195  8.9643  390.082    111.590  542.384    238.038  347.184    126.332  55.165  16.502  48.710  10.954  6.454811       19.80717 
1 1 1 -19 -13 47 o 62.635  8.0727  529.821    119.832  540.692    251.851  526.640    136.243  53.483  17.142  61.343  9.4574  -7.860058      19.57792 
1 1 1 -19 -13 48 o 21.145  7.6609  53.218     50.609   28.826     66.753   86.191     77.613   20.292  8.3715  25.945  9.4736  -5.652430      12.64247 
1 1 1 -19 -13 49 o 38.645  6.3158  198.069    57.177   90.896     76.077   337.190    86.677   26.173  9.4049  49.953  7.3729  -23.77947      11.95034 
1 1 1 -19 -13 50 o 49.482  5.2783  315.985    62.396   314.266    80.247   318.614    99.226   48.259  7.0620  47.196  8.9931  1.063377       11.43456 
1 1 1 -19 -13 51 o 27.435  7.1903  104.695    48.445   120.780    57.743   66.461     89.027   29.165  7.9443  24.454  9.8217  4.711687       12.63242 
1 1 1 -19 -13 52 o 20.752  7.2219  55.503     44.575   28.576     51.522   135.637    88.881   18.378  7.4399  29.931  10.207  -11.55367      12.63107 
1 1 1 -19 -13 53 f 12.854  5.7739  -11.8121   37.528   -2.8745    41.893   -48.1178   84.435   14.306  6.2793  17.391  8.1179  -3.084970      10.26301 
1 1 1 -19 -13 54 o 25.419  7.3748  91.595     48.152   71.112     55.902   150.483    94.786   22.914  8.0801  30.819  10.541  -7.904844      13.28156 
1 1 1 -19 -13 55 o 18.435  7.1738  35.868     46.136   38.337     48.549   12.877     148.178  18.909  7.3589  24.553  11.204  -5.643326      13.40477 
1 1 1 -19 -13 56 o 47.373  6.2642  302.494    70.239   276.971    78.222   408.734    159.593  44.358  7.5373  47.209  13.341  -2.850258      15.32329 
1 1 1 -19 -13 57 o 47.623  5.1586  295.937    58.657   291.514    71.643   304.930    102.158  46.306  6.5599  44.684  9.7006  1.621723       11.71040 
1 1 1 -19 -13 58 o 14.217  6.0732  5.3382     37.103   13.224     41.325   -27.4408   84.256   15.592  6.5220  18.194  8.3569  -2.602032      10.60069 
1 1 1 -19 -13 59 o 41.814  11.427  294.141    119.233  372.813    335.241  282.748    127.575  37.029  16.880  40.126  12.099  -3.097336      20.76805 
1 1 1 -19 -13 60 o 22.673  9.8887  36.967     102.436  43.164     371.413  36.457     106.569  30.491  14.930  22.898  10.034  7.593149       17.98794 
1 1 1 -19 -13 61 o 19.212  8.7746  -11.7932   91.131   -19.2938   373.152  -11.3174   93.976   28.915  14.311  19.473  8.9005  9.441950       16.85294 
1 1 1 -19 -12 1  o 108.248 4.8547  1439.39    127.512  0.0000     0.0000   1439.39    127.512  ?       ?       108.248 4.8547  0.000000       4.854733 
1 1 1 -19 -12 2  f 108.161 5.2537  1438.58    137.879  1132.13    209.458  1672.92    183.158  94.228  9.2818  116.043 6.5315  -21.81585      11.34950 
1 1 1 -19 -12 3  o ?       ?       -106.0498  7.2357   -91.8629   11.445   -115.4960  9.3390   ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 -12 4  f 82.468  3.5604  829.566    71.244   896.642    113.001  785.314    91.784   85.250  5.4921  79.932  4.7538  5.318268       7.263770 
1 1 1 -19 -12 5  o 37.638  4.4920  175.660    40.213   5.5048     65.373   279.238    51.005   19.230  8.1322  47.580  4.4704  -28.34949      9.279879 
1 1 1 -19 -12 6  o 85.111  5.4837  892.475    112.643  966.590    194.340  854.977    138.232  87.382  9.3093  82.917  6.9344  4.465080       11.60810 
1 1 1 -19 -12 7  o 63.571  5.7733  500.185    88.082   329.120    150.685  588.975    108.561  49.748  12.499  68.834  6.5800  -19.08674      14.12529 
1 1 1 -19 -12 8  o 111.759 5.6849  1536.36    153.652  1528.32    248.447  1541.35    195.529  110.182 9.3825  111.459 7.2697  -1.277794      11.86924 
1 1 1 -19 -12 9  o 109.581 3.8553  1464.23    102.509  1362.06    156.161  1541.58    135.883  105.108 6.1500  112.248 4.9891  -7.140129      7.919181 
1 1 1 -19 -12 10 o 109.125 3.8792  1451.97    102.713  1290.99    155.899  1575.44    136.536  102.292 6.3120  113.491 4.9582  -11.19933      8.026476 
1 1 1 -19 -12 11 o 80.948  3.9148  798.940    76.891   562.200    116.431  982.042    102.396  67.126  7.2644  89.521  4.7308  -22.39520      8.669057 
1 1 1 -19 -12 12 o 72.963  3.7726  650.524    66.560   610.153    93.789   691.487    94.475   70.360  5.5385  74.991  5.2248  -4.630882      7.613988 
1 1 1 -19 -12 13 o 18.945  6.7273  38.274     38.816   59.547     51.266   9.6945     59.421   22.784  7.7523  18.773  7.8340  4.010792       11.02136 
1 1 1 -19 -12 14 o 80.616  3.8232  792.086    74.785   809.744    105.057  773.947    106.481  81.157  5.3653  79.295  5.5696  1.862419       7.733521 
1 1 1 -19 -12 15 o 40.477  5.3011  203.852    50.813   162.880    66.252   262.385    79.187   35.623  7.8744  45.556  7.4191  -9.933968      10.81890 
1 1 1 -19 -12 16 o 38.861  7.3793  192.246    67.037   192.246    67.037   0.0000     0.0000   38.861  7.3793  ?       ?       0.000000       7.379324 
1 1 1 -19 -12 17 o 80.258  5.6737  793.210    109.777  793.210    109.777  0.0000     0.0000   80.258  5.6737  ?       ?       0.000000       5.673720 
1 1 1 -19 -12 18 o 15.950  6.6728  5.8705     43.267   -46.8805   56.217   82.522     67.766   14.511  6.7225  26.519  8.9135  -12.00822      11.16437 
1 1 1 -19 -12 19 o 76.050  5.6117  712.501    102.821  702.612    125.315  732.873    179.866  75.215  6.9449  75.920  10.008  -0.7053375     12.18155 
1 1 1 -19 -12 20 f 93.858  5.1846  1081.35    117.616  1232.30    157.997  893.735    176.146  99.879  6.5559  84.368  8.7309  15.51041       10.91826 
1 1 1 -19 -12 21 f 113.397 5.4554  1575.53    150.105  1733.60    206.368  1397.95    218.733  118.304 7.2238  105.724 8.6012  12.57996       11.23225 
1 1 1 -19 -12 22 o 106.686 3.9313  1388.16    101.768  1517.97    149.438  1275.88    138.976  111.276 5.5347  101.845 5.6459  9.430809       7.906304 
1 1 1 -19 -12 23 o 110.921 3.9843  1501.02    107.234  1701.54    158.432  1331.50    145.672  117.791 5.5433  103.992 5.7962  13.80001       8.020232 
1 1 1 -19 -12 24 o 70.232  4.1203  604.175    69.907   650.160    106.834  569.742    92.447   72.460  6.1341  67.904  5.6625  4.555794       8.348118 
1 1 1 -19 -12 25 o 88.334  4.1078  952.768    88.044   1068.65    137.426  872.091    114.667  92.995  6.1247  84.088  5.6529  8.906746       8.334693 
1 1 1 -19 -12 26 o 29.550  7.2245  112.384    51.367   196.713    95.503   78.060     60.931   38.767  10.064  25.537  8.4490  13.22980       13.14068 
1 1 1 -19 -12 27 f 92.100  6.1712  1050.36    137.112  1219.38    262.570  986.998    160.773  97.048  11.366  88.826  7.5304  8.222206       13.63408 
1 1 1 -19 -12 28 o 22.006  8.8316  31.539     71.919   0.0000     0.0000   31.539     71.919   ?       ?       22.006  8.8316  0.000000       8.831609 
1 1 1 -19 -12 29 o 123.362 7.7068  1907.18    229.529  0.0000     0.0000   1907.18    229.529  ?       ?       123.362 7.7068  0.000000       7.706755 
1 1 1 -19 -12 30 o 124.929 5.6629  1925.92    171.660  0.0000     0.0000   1925.92    171.660  ?       ?       124.929 5.6629  0.000000       5.662902 
1 1 1 -19 -12 31 o 81.047  4.2751  807.501    83.774   1033.84    132.348  656.185    108.213  91.176  6.0162  72.491  6.2123  18.68557       8.647913 
1 1 1 -19 -12 32 o 26.427  7.1259  90.395     46.737   69.542     77.509   102.309    58.586   25.603  9.4489  28.120  8.1278  -2.516899      12.46368 
1 1 1 -19 -12 33 o 80.887  3.8078  801.623    74.733   823.766    105.424  779.256    105.955  81.439  5.3652  79.134  5.5534  2.305313       7.721697 
1 1 1 -19 -12 34 o 44.670  4.2908  247.538    45.934   242.648    63.301   252.976    66.757   43.727  6.1349  44.598  6.3483  -0.8706284     8.828226 
1 1 1 -19 -12 35 o 30.088  5.6037  115.963    39.405   71.493     52.472   173.477    59.673   23.988  7.8360  36.556  6.9822  -12.56787      10.49546 
1 1 1 -19 -12 36 o 27.753  5.9530  99.759     38.886   84.306     52.166   119.082    58.334   25.540  7.7446  29.983  7.9056  -4.443703      11.06690 
1 1 1 -19 -12 37 o 51.779  4.1380  332.468    51.554   325.790    70.201   340.287    75.955   50.728  5.8080  51.721  6.1744  -0.9926147     8.476822 
1 1 1 -19 -12 38 o 46.064  4.3725  264.562    48.285   223.465    65.158   314.622    71.913   41.544  6.6912  49.681  6.0933  -8.137260      9.049880 
1 1 1 -19 -12 39 o 29.049  6.9076  111.568    47.976   118.808    56.828   93.605     89.511   29.802  7.7765  27.911  10.177  1.890213       12.80770 
1 1 1 -19 -12 40 o 37.254  6.2043  179.685    54.109   227.372    64.809   69.954     98.311   41.847  6.6016  26.512  10.427  15.33433       12.34125 
1 1 1 -19 -12 41 o 69.844  5.0671  612.507    85.287   641.563    106.873  561.552    141.526  70.860  6.2809  64.368  9.3339  6.492615       11.25038 
1 1 1 -19 -12 42 o 22.029  6.6942  62.832     38.945   84.544     48.416   23.033     65.551   25.269  7.4134  20.038  8.2836  5.230556       11.11654 
1 1 1 -19 -12 43 o 60.571  4.7725  460.342    69.573   465.172    95.984   454.994    100.991  59.947  6.7141  59.008  7.2031  0.9390640      9.847012 
1 1 1 -19 -12 44 o 44.972  4.7407  255.052    50.951   271.699    59.052   206.551    100.795  46.191  5.3689  37.913  10.563  8.278656       11.84957 
1 1 1 -19 -12 45 o 11.278  5.7076  -260.0899  78.020   -189.9831  164.525  -280.4295  88.618   21.533  10.401  12.214  6.1723  9.318581       12.09482 
1 1 1 -19 -12 46 o 33.433  10.797  160.927    99.769   94.390     200.882  182.713    114.947  32.417  13.994  35.231  11.602  -2.814484      18.17793 
1 1 1 -19 -12 47 o 36.959  10.436  200.439    97.700   175.906    208.855  207.311    110.541  35.661  14.768  37.178  11.274  -1.516991      18.57897 
1 1 1 -19 -12 48 o 45.754  5.5624  270.330    60.483   212.081    83.291   335.310    87.972   38.612  9.0482  49.885  7.4999  -11.27337      11.75244 
1 1 1 -19 -12 49 o 23.528  7.8517  73.362     52.579   15.295     69.739   149.837    80.034   19.523  8.3328  32.070  9.5632  -12.54634      12.68422 
1 1 1 -19 -12 50 o 20.350  7.5345  48.313     49.363   46.461     65.851   50.689     74.582   21.464  8.5044  22.479  9.0033  -1.015137      12.38485 
1 1 1 -19 -12 51 f 10.810  5.2974  -84.4535   47.052   -25.7871   62.761   -159.7436  71.099   15.967  7.2885  12.228  6.0848  3.739529       9.494609 
1 1 1 -19 -12 52 o 30.067  7.5980  128.001    55.454   96.049     72.289   173.692    86.444   26.117  9.1907  33.668  9.9139  -7.550188      13.51864 
1 1 1 -19 -12 53 o 44.173  6.0365  260.353    63.007   245.960    81.443   281.807    99.438   41.235  8.4247  43.060  9.7448  -1.824768      12.88163 
1 1 1 -19 -12 54 o 43.812  6.4187  259.819    66.211   261.396    73.079   252.592    156.438  43.399  7.1916  36.706  13.443  6.692562       15.24559 
1 1 1 -19 -12 55 o 48.393  6.3075  315.540    72.303   284.291    80.455   446.721    164.844  44.889  7.6617  49.602  13.386  -4.712696      15.42364 
1 1 1 -19 -12 56 o 17.439  6.8248  30.354     41.937   55.340     47.917   -51.4367   86.695   20.769  7.4639  17.433  8.1662  3.335684       11.06331 
1 1 1 -19 -12 57 o 22.929  7.2318  72.898     44.962   92.942     52.452   17.360     87.311   25.516  7.7721  20.813  9.1021  4.702312       11.96889 
1 1 1 -19 -12 58 o 20.475  9.3662  -18.1872   104.348  645.809    360.054  -79.0710   109.027  44.397  18.941  18.638  8.8586  25.75897       20.91030 
1 1 1 -19 -12 59 o 24.957  10.174  76.760     97.153   -24.0453   369.228  84.258     100.701  30.176  14.798  25.591  10.387  4.584732       18.07953 
1 1 1 -19 -12 60 o 27.160  10.770  109.488    105.700  651.841    379.599  63.902     110.052  41.521  18.527  24.513  10.465  17.00823       21.27851 
1 1 1 -19 -11 1  o 108.482 4.4830  1441.43    118.003  1280.34    154.846  1664.56    182.246  101.583 6.3135  115.795 6.5128  -14.21210      9.070653 
1 1 1 -19 -11 2  o 40.125  5.0714  200.572    48.273   110.361    74.744   265.126    63.228   29.662  9.3197  46.063  5.7847  -16.40052      10.96901 
1 1 1 -19 -11 3  o 73.333  3.5172  655.762    62.583   635.976    99.456   668.733    80.525   71.691  5.7662  73.799  4.5187  -2.107925      7.325837 
1 1 1 -19 -11 4  o 148.641 4.2546  2699.27    153.447  2360.82    232.584  2960.13    204.192  138.040 6.9665  155.322 5.4180  -17.28255      8.825376 
1 1 1 -19 -11 5  o 99.591  3.7300  1209.45    90.135   1136.81    140.556  1260.18    117.469  95.970  6.0672  101.495 4.7700  -5.524490      7.717742 
1 1 1 -19 -11 6  o 77.770  5.7329  746.120    107.419  573.674    186.577  831.623    131.378  66.207  12.058  81.898  6.6692  -15.69024      13.77982 
1 1 1 -19 -11 7  o 82.906  5.5979  846.435    111.950  747.644    190.163  898.832    138.492  76.448  10.531  85.164  6.7575  -8.715225      12.51280 
1 1 1 -19 -11 8  o 60.756  5.9066  457.060    85.973   314.979    149.285  527.565    105.162  48.801  12.540  65.124  6.7532  -16.32323      14.24264 
1 1 1 -19 -11 9  o 95.806  3.8210  1118.77    88.824   1021.54    136.923  1189.41    116.714  90.991  6.2394  98.640  4.8765  -7.649048      7.918986 
1 1 1 -19 -11 10 o 65.579  3.5756  525.376    56.681   437.439    78.069   623.404    82.427   59.526  5.4662  71.270  4.7944  -11.74402      7.270875 
1 1 1 -19 -11 11 o 84.750  3.6752  875.008    75.576   839.722    107.536  909.448    106.238  82.656  5.3914  86.088  5.1088  -3.432243      7.427455 
1 1 1 -19 -11 12 o 27.187  6.3388  94.351     41.044   81.021     53.707   113.067    63.640   25.591  7.8772  29.806  8.4253  -4.214636      11.53409 
1 1 1 -19 -11 13 o 112.209 3.9712  1534.80    108.122  1488.49    151.967  1582.27    153.867  110.083 5.7090  113.670 5.5787  -3.587036      7.982159 
1 1 1 -19 -11 14 f 90.279  3.9389  993.403    86.283   879.472    120.070  1115.06    124.074  84.504  5.8928  95.308  5.3873  -10.80354      7.984226 
1 1 1 -19 -11 15 o ?       ?       -132.9373  33.046   -132.9373  33.046   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 -11 16 f 92.345  5.6965  1048.48    127.016  1048.48    127.016  0.0000     0.0000   92.345  5.6965  ?       ?       0.000000       5.696477 
1 1 1 -19 -11 17 o 115.952 6.0963  1653.80    170.917  1653.80    170.917  0.0000     0.0000   115.952 6.0963  ?       ?       0.000000       6.096349 
1 1 1 -19 -11 18 o 24.346  8.0374  70.190     55.149   36.153     76.936   106.165    79.095   23.070  9.1761  29.586  9.6186  -6.515787      13.29349 
1 1 1 -19 -11 19 o 84.193  5.4466  871.335    110.670  1098.41    153.165  623.269    160.087  94.264  6.7411  70.072  9.6735  24.19141       11.79060 
1 1 1 -19 -11 20 o 74.102  5.4602  675.940    97.484   603.675    138.836  746.213    136.909  69.298  8.4306  77.437  7.3756  -8.139587      11.20158 
1 1 1 -19 -11 21 o 94.737  5.5791  1103.39    127.682  1313.62    177.081  875.748    184.271  102.987 7.1302  83.354  9.2680  19.63373       11.69342 
1 1 1 -19 -11 22 o 58.284  4.3384  416.927    60.915   474.699    98.199   380.793    77.662   61.762  6.6580  55.413  5.8653  6.348942       8.873023 
1 1 1 -19 -11 23 o 84.029  3.9821  861.224    81.189   996.906    123.280  757.301    107.891  89.986  5.6752  78.374  5.7129  11.61217       8.052643 
1 1 1 -19 -11 24 o 74.654  4.0812  682.104    73.647   765.175    112.192  619.203    97.626   78.719  5.9171  70.809  5.7313  7.909866       8.237699 
1 1 1 -19 -11 25 o 102.715 4.1124  1287.94    102.492  1422.96    157.617  1189.03    134.909  107.409 6.0727  98.258  5.6829  9.151085       8.317017 
1 1 1 -19 -11 26 o 161.169 5.4588  3187.83    213.471  3563.95    264.376  2483.21    361.857  170.044 6.4076  139.598 10.766  30.44589       12.52867 
1 1 1 -19 -11 27 o 77.608  7.3060  752.970    135.959  0.0000     0.0000   752.970    135.959  ?       ?       77.608  7.3060  0.000000       7.306011 
1 1 1 -19 -11 28 o 32.345  9.6913  134.190    82.049   0.0000     0.0000   134.190    82.049   ?       ?       32.345  9.6913  0.000000       9.691341 
1 1 1 -19 -11 29 o 128.600 7.8070  2071.90    242.453  0.0000     0.0000   2071.90    242.453  ?       ?       128.600 7.8070  0.000000       7.806973 
1 1 1 -19 -11 30 o 99.700  4.0942  1216.45    99.045   1363.35    150.492  1104.21    131.552  104.892 5.9373  94.421  5.7697  10.47071       8.278958 
1 1 1 -19 -11 31 o 176.014 4.7495  3806.54    202.843  4022.03    291.064  3603.06    282.839  179.831 6.6705  170.091 6.8532  9.739639       9.563607 
1 1 1 -19 -11 32 o 77.176  3.7624  728.892    70.455   699.444    99.698   758.269    99.579   75.040  5.5142  78.222  5.2774  -3.182060      7.632682 
1 1 1 -19 -11 33 o 71.508  3.9176  628.561    67.716   636.271    95.338   620.712    96.197   71.487  5.5396  70.561  5.6665  0.9259338      7.924401 
1 1 1 -19 -11 34 o 16.989  6.4138  26.953     36.122   9.3399     47.365   51.434     55.842   16.768  6.9956  21.972  8.0339  -5.203978      10.65276 
1 1 1 -19 -11 35 o 34.649  5.4301  152.364    44.153   106.024    58.616   213.143    67.129   28.433  8.1029  40.596  7.0720  -12.16323      10.75498 
1 1 1 -19 -11 36 o 8.8438  4.3276  -59.0146   31.069   -67.5106   36.529   -36.7918   59.078   9.6538  4.7173  15.332  7.0260  -5.678709      8.462750 
1 1 1 -19 -11 37 o 95.035  4.0355  1112.25    93.056   1027.10    130.760  1199.62    132.458  90.339  5.9995  97.881  5.6005  -7.542435      8.207262 
1 1 1 -19 -11 38 o 30.564  6.2992  121.704    45.162   118.499    58.021   126.631    71.936   29.807  7.8964  30.704  9.0445  -0.8973427     12.00649 
1 1 1 -19 -11 39 o 74.709  5.0789  698.498    91.521   683.234    113.942  726.254    153.644  73.189  6.4832  74.074  8.7151  -0.8843994     10.86211 
1 1 1 -19 -11 40 o 64.730  5.1432  526.264    80.114   509.866    98.571   558.175    137.508  63.056  6.5376  64.513  9.0321  -1.456959      11.14982 
1 1 1 -19 -11 41 o 78.113  5.2660  767.200    99.227   915.570    124.521  509.068    164.244  84.874  6.0869  59.484  11.796  25.38956       13.27400 
1 1 1 -19 -11 42 o 63.605  4.6314  505.886    70.986   470.966    99.796   541.649    100.993  60.253  6.9537  64.918  6.4988  -4.664642      9.517820 
1 1 1 -19 -11 43 o 17.948  7.3135  20.443     50.166   93.140     66.377   -76.3929   76.609   26.677  8.8182  15.882  7.5125  10.79491       11.58437 
1 1 1 -19 -11 44 o 12.960  6.0779  -44.5751   48.265   -105.3335  63.486   38.638     74.296   12.905  6.2870  22.087  8.9368  -9.182182      10.92666 
1 1 1 -19 -11 45 f 45.938  9.6180  295.858    103.767  244.282    225.009  309.790    116.946  39.805  15.737  46.379  10.621  -6.574017      18.98524 
1 1 1 -19 -11 46 o 38.202  10.377  211.797    98.684   78.092     221.843  244.781    110.186  32.638  14.384  40.776  10.919  -8.138077      18.05882 
1 1 1 -19 -11 47 o 19.154  7.6182  31.354     53.028   -46.8193   72.283   122.460    78.034   16.428  7.6148  29.604  9.5475  -13.17648      12.21229 
1 1 1 -19 -11 48 o 33.045  7.3229  149.005    57.172   81.638     76.600   233.734    85.905   25.484  9.3954  40.639  8.9536  -15.15482      12.97847 
1 1 1 -19 -11 49 o 41.225  6.1159  223.786    59.322   90.042     80.983   378.654    87.144   26.269  9.6642  53.298  6.9006  -27.02853      11.87495 
1 1 1 -19 -11 50 o 16.535  6.9991  10.528     48.500   35.811     64.452   -22.4771   73.641   20.441  8.3049  17.598  7.9793  2.842686       11.51696 
1 1 1 -19 -11 51 o 19.856  7.5620  43.681     50.492   42.586     67.299   45.091     76.371   21.144  8.5229  22.053  9.0092  -0.9093361     12.40180 
1 1 1 -19 -11 52 o 26.411  7.8742  98.987     54.264   155.863    68.882   5.9587     88.095   32.664  8.5802  20.438  9.0327  12.22626       12.45834 
1 1 1 -19 -11 53 o 12.932  6.0630  -39.1395   47.970   -109.3293  62.535   61.212     74.773   12.357  6.0659  22.962  9.0736  -10.60487      10.91442 
1 1 1 -19 -11 54 o 14.151  6.5709  -34.2781   54.172   -52.5113   62.116   23.641     110.710  14.409  6.8000  22.902  10.124  -8.492836      12.19541 
1 1 1 -19 -11 55 o 25.175  8.5756  90.284     62.734   108.452    72.769   37.704     123.796  27.119  9.2361  24.328  10.732  2.791735       14.15920 
1 1 1 -19 -11 56 o 48.952  5.6034  315.915    65.357   328.418    85.143   297.981    101.973  48.504  7.4747  44.157  9.7757  4.347103       12.30588 
1 1 1 -19 -11 57 o 14.108  6.2088  -3.7363    41.194   -20.8220   47.033   52.540     85.359   13.833  6.3124  22.893  9.4573  -9.059768      11.37047 
1 1 1 -19 -11 58 o 19.667  8.9873  -19.8884   95.762   -404.5959  357.978  9.7637     99.385   26.024  13.054  21.362  9.5097  4.662104       16.15095 
1 1 1 -19 -11 59 o 19.159  8.8496  -30.7601   96.369   -324.1195  365.874  -8.8908    99.896   26.708  13.369  20.411  9.2696  6.296877       16.26787 
1 1 1 -19 -11 60 o 21.370  9.5189  15.807     99.742   -207.4089  342.790  36.454     104.252  26.805  13.342  22.709  9.9382  4.096222       16.63675 
1 1 1 -19 -10 1  f 34.936  5.0495  152.686    41.562   158.365    64.479   148.649    54.362   35.017  7.7898  34.089  6.8106  0.9286423      10.34725 
1 1 1 -19 -10 2  o 24.532  9.0595  60.768     71.275   15.734     95.489   117.425    107.105  23.569  9.8900  31.875  11.189  -8.306309      14.93336 
1 1 1 -19 -10 3  o 46.459  3.7392  264.908    41.794   263.667    66.438   265.721    53.765   45.910  6.1162  46.349  4.8526  -0.4387169     7.807451 
1 1 1 -19 -10 4  o 110.711 3.8186  1494.74    102.578  1273.44    157.990  1656.02    134.873  101.508 6.4480  116.361 4.7770  -14.85291      8.024673 
1 1 1 -19 -10 5  o 153.728 4.3113  2885.18    160.814  2659.32    242.066  3063.62    215.156  146.906 6.7909  158.066 5.6098  -11.16023      8.808357 
1 1 1 -19 -10 6  o 49.986  6.5421  312.360    77.442   93.017     143.716  402.110    91.931   32.627  12.671  56.754  6.8118  -24.12774      14.38603 
1 1 1 -19 -10 7  o 84.440  5.6896  877.735    115.893  1033.58    201.195  800.346    141.777  90.639  9.2791  80.214  7.3666  10.42414       11.84774 
1 1 1 -19 -10 8  o 118.338 3.7660  1706.39    108.136  1496.51    155.579  1902.56    150.408  110.337 5.8319  124.754 4.9688  -14.41683      7.661586 
1 1 1 -19 -10 9  o 86.059  3.5751  901.986    74.653   774.255    106.109  1027.18    105.050  79.331  5.5474  91.584  4.7436  -12.25287      7.298973 
1 1 1 -19 -10 10 o 50.022  3.8471  306.678    46.336   313.201    63.714   299.356    67.509   50.329  5.2969  49.103  5.7766  1.225891       7.837440 
1 1 1 -19 -10 11 o 70.932  3.9114  614.979    67.060   597.766    91.696   634.770    98.323   69.681  5.4673  71.775  5.6924  -2.094536      7.892730 
1 1 1 -19 -10 12 o 25.301  7.0920  81.002     45.289   41.411     59.694   134.701    69.521   21.644  8.2272  32.409  8.6708  -10.76512      11.95282 
1 1 1 -19 -10 13 o 53.275  6.9891  354.881    88.167   181.428    136.830  478.026    115.292  38.417  12.659  61.751  7.8739  -23.33411      14.90797 
1 1 1 -19 -10 14 o 90.673  5.6517  1010.39    123.725  1010.39    123.725  0.0000     0.0000   90.673  5.6517  ?       ?       0.000000       5.651723 
1 1 1 -19 -10 15 o 87.354  5.5691  937.694    117.425  937.694    117.425  0.0000     0.0000   87.354  5.5691  ?       ?       0.000000       5.569053 
1 1 1 -19 -10 16 o 39.568  8.4714  200.958    78.879   200.958    78.879   0.0000     0.0000   39.568  8.4714  ?       ?       0.000000       8.471390 
1 1 1 -19 -10 17 o 40.568  6.4414  206.856    61.286   234.039    84.521   176.718    88.996   42.772  8.4437  36.995  9.7696  5.777737       12.91284 
1 1 1 -19 -10 18 o 75.583  4.9351  700.922    90.010   797.954    114.841  546.379    144.933  80.476  5.9228  65.665  9.3615  14.81186       11.07776 
1 1 1 -19 -10 19 o 43.861  7.4769  243.565    76.720   367.593    115.708  146.260    102.487  53.670  9.2173  34.331  10.928  19.33864       14.29613 
1 1 1 -19 -10 20 o 87.189  5.5478  934.490    116.757  1092.08    160.712  758.342    169.911  93.907  7.1058  77.574  9.2067  16.33363       11.62991 
1 1 1 -19 -10 21 o 120.322 4.4531  1767.16    130.009  2126.25    218.811  1571.21    161.633  131.252 6.8948  113.044 5.9133  18.20856       9.083274 
1 1 1 -19 -10 22 o 87.505  3.8892  933.427    82.577   1011.93    123.954  870.784    110.725  90.697  5.6608  84.153  5.4520  6.544785       7.859320 
1 1 1 -19 -10 23 o 48.304  4.7564  287.865    55.024   391.463    88.862   223.444    70.074   56.019  6.6686  42.014  7.1287  14.00539       9.761572 
1 1 1 -19 -10 24 o 165.751 4.5515  3356.61    183.053  3556.18    264.898  3174.21    253.249  170.018 6.4213  160.600 6.4989  9.417282       9.136068 
1 1 1 -19 -10 25 o 117.263 4.9250  1682.68    140.129  1822.88    173.911  1423.18    236.602  121.827 5.8833  106.325 9.2636  15.50173       10.97391 
1 1 1 -19 -10 26 o 49.570  5.4581  304.973    64.561   344.896    104.611  280.412    82.051   51.968  8.5967  47.051  7.4341  4.917290       11.36524 
1 1 1 -19 -10 27 o 45.725  10.837  275.547    118.396  0.0000     0.0000   275.547    118.396  ?       ?       45.725  10.837  0.000000       10.83694 
1 1 1 -19 -10 28 o 25.794  10.474  40.269     102.440  0.0000     0.0000   40.269     102.440  ?       ?       25.794  10.474  0.000000       10.47366 
1 1 1 -19 -10 29 o 92.704  6.6332  1069.20    148.221  554.785    267.194  1297.87    178.143  62.329  17.136  101.944 7.2491  -39.61505      18.60578 
1 1 1 -19 -10 30 o 64.344  4.5573  510.057    70.691   527.657    104.016  494.951    96.365   64.889  6.7030  62.914  6.4018  1.974472       9.268928 
1 1 1 -19 -10 31 o 134.155 4.2027  2204.90    136.803  2024.00    194.757  2381.09    192.207  127.770 6.2820  138.845 5.7052  -11.07461      8.486087 
1 1 1 -19 -10 32 o 116.359 4.0533  1658.99    114.440  1681.79    163.136  1636.90    160.578  116.568 5.7678  114.862 5.7801  1.706078       8.165594 
1 1 1 -19 -10 33 o 69.157  4.1408  588.859    69.164   535.579    96.698   644.668    98.967   65.355  6.1709  71.908  5.7194  -6.553276      8.413774 
1 1 1 -19 -10 34 o 98.818  3.9781  1198.26    95.383   1139.11    135.631  1256.13    134.165  95.545  5.8790  100.509 5.5225  -4.964806      8.066026 
1 1 1 -19 -10 35 o 39.293  5.8988  196.315    54.503   204.393    64.975   177.136    100.117  39.767  6.9888  36.162  10.675  3.604607       12.75927 
1 1 1 -19 -10 36 o 123.900 4.1485  1889.77    124.717  1823.89    177.512  1953.99    175.263  120.580 6.0869  125.142 5.7719  -4.562134      8.388406 
1 1 1 -19 -10 37 o 22.962  6.7775  67.951     40.358   108.846    50.897   -1.3130    66.238   28.718  7.2911  18.540  8.0195  10.17717       10.83847 
1 1 1 -19 -10 38 o 53.758  4.6036  360.392    59.470   317.859    80.472   411.573    88.276   49.642  6.8645  56.736  6.5316  -7.093674      9.475423 
1 1 1 -19 -10 39 o 38.839  6.1643  194.367    56.150   209.006    66.909   159.506    103.253  39.925  7.1704  34.063  10.982  5.861187       13.11568 
1 1 1 -19 -10 40 o 91.106  5.2090  1040.30    114.672  1066.63    144.343  995.235    188.808  91.416  6.5508  86.306  9.1559  5.110374       11.25804 
1 1 1 -19 -10 41 f 39.578  5.3204  199.369    49.799   200.724    64.601   197.384    78.179   39.053  7.0780  38.064  8.6598  0.9892464      11.18433 
1 1 1 -19 -10 42 o 68.814  4.5692  591.170    75.859   597.030    105.947  585.004    108.667  68.204  6.4799  67.360  6.7391  0.8433838      9.348987 
1 1 1 -19 -10 43 o 83.205  4.3733  861.901    87.981   767.091    123.051  961.064    125.844  77.211  6.6325  86.913  6.0042  -9.701645      8.946544 
1 1 1 -19 -10 44 o 48.029  9.7773  322.281    110.070  342.008    225.577  316.117    126.100  45.130  16.197  46.584  11.277  -1.454174      19.73613 
1 1 1 -19 -10 45 f 52.002  8.9376  370.528    108.710  473.712    232.123  341.538    123.037  52.027  16.434  48.705  10.703  3.321884       19.61214 
1 1 1 -19 -10 46 o 17.144  8.0020  -60.1762   82.010   -142.8178  201.566  -43.7819   89.777   25.196  11.995  18.788  8.6284  6.407982       14.77637 
1 1 1 -19 -10 47 o 34.012  7.0982  155.945    56.686   139.257    77.330   175.328    83.340   31.339  9.4128  34.966  9.5522  -3.627522      13.41063 
1 1 1 -19 -10 48 o 56.221  5.1638  403.553    69.655   430.120    98.282   376.742    98.732   56.705  7.3136  52.567  7.9925  4.138325       10.83366 
1 1 1 -19 -10 49 o 18.129  7.4370  22.622     52.316   83.039     71.633   -46.4451   76.588   25.253  9.1195  16.859  7.8230  8.394283       12.01519 
1 1 1 -19 -10 50 o 16.854  7.0189  15.645     47.564   40.159     65.098   -12.4297   69.665   20.854  8.3906  17.668  7.9064  3.186165       11.52881 
1 1 1 -19 -10 51 o 31.662  6.6063  136.591    49.112   90.450     71.787   177.187    67.335   25.694  9.1461  35.345  8.0336  -9.651518      12.17329 
1 1 1 -19 -10 52 o 30.752  7.5809  133.829    56.205   167.415    74.750   90.139     85.255   33.605  8.9910  25.916  9.8368  7.689108       13.32666 
1 1 1 -19 -10 53 o 27.411  7.9302  107.940    55.748   101.186    77.754   115.085    79.972   26.566  9.5120  27.890  9.6752  -1.323494      13.56791 
1 1 1 -19 -10 54 o 16.408  7.2632  -3.9072    57.180   -6.6166    65.696   4.5589     116.129  17.287  7.7111  22.424  10.107  -5.136385      12.71267 
1 1 1 -19 -10 55 o 15.810  7.1696  -18.1652   59.473   -0.7440    69.359   -66.5435   115.582  18.052  7.9948  19.672  9.2814  -1.619942      12.24991 
1 1 1 -19 -10 56 o 18.673  7.3927  34.433     49.722   152.518    65.596   -125.0451  76.231   32.293  8.3201  13.716  6.7258  18.57665       10.69858 
1 1 1 -19 -10 57 o 16.764  7.0222  16.072     48.004   -5.0446    62.914   45.495     74.264   17.056  7.5810  21.660  8.8702  -4.603510      11.66846 
1 1 1 -19 -10 58 o 27.040  10.605  102.758    101.417  188.012    371.483  95.892     105.422  33.803  16.146  26.684  10.698  7.119473       19.36881 
1 1 1 -19 -10 59 o 29.689  10.735  140.694    99.303   -391.7040  375.908  180.634    102.960  26.293  13.214  32.957  10.987  -6.663702      17.18499 
1 1 1 -19 -10 60 o 34.805  11.294  210.703    109.070  145.770    389.328  216.233    113.619  31.672  15.460  35.004  11.535  -3.332384      19.28928 
1 1 1 -19 -9  1  o 85.903  4.8937  906.501    101.579  715.129    153.857  1054.37    135.245  75.255  8.5793  92.370  6.0681  -17.11519      10.50838 
1 1 1 -19 -9  2  o 101.723 3.7146  1261.73    91.685   1036.23    141.871  1423.46    120.146  91.512  6.4301  107.903 4.5889  -16.39082      7.899642 
1 1 1 -19 -9  3  o 102.824 3.7644  1289.01    93.919   1201.58    143.697  1354.21    124.093  98.722  6.0278  105.221 4.8605  -6.499290      7.743305 
1 1 1 -19 -9  4  o 140.580 4.1086  2411.03    140.147  2327.63    211.593  2476.22    187.061  137.600 6.3375  142.175 5.4225  -4.574341      8.340704 
1 1 1 -19 -9  5  o 203.330 5.8415  5070.31    288.197  4975.73    364.252  5228.61    471.253  200.736 7.4785  204.685 9.4887  -3.948105      12.08147 
1 1 1 -19 -9  6  o 183.346 6.7141  4134.90    298.690  4357.22    457.830  3970.15    394.116  186.319 10.165  178.405 9.1351  7.914490       13.66697 
1 1 1 -19 -9  7  o 124.813 5.8347  1909.25    176.702  2095.98    289.221  1798.04    223.204  129.479 9.2672  120.450 7.6772  9.029099       12.03413 
1 1 1 -19 -9  8  o 140.469 4.0481  2405.34    137.973  2342.67    199.183  2463.15    191.303  138.247 5.9379  141.848 5.5582  -3.600143      8.133389 
1 1 1 -19 -9  9  o 37.145  4.3738  170.603    38.666   193.845    52.024   141.920    57.793   39.413  5.5972  33.312  7.3475  6.101662       9.236592 
1 1 1 -19 -9  10 o 61.955  3.7734  469.266    56.455   411.072    78.610   531.245    81.127   57.672  5.6918  65.733  5.1270  -8.060932      7.660469 
1 1 1 -19 -9  11 o 91.898  8.5260  1053.82    187.949  1426.19    237.230  426.050    308.022  106.779 9.2476  57.023  19.003  49.75517       21.13363 
1 1 1 -19 -9  12 f 323.628 6.5631  12858.91   515.370  9086.40    707.944  17112.29   751.711  269.305 10.834  371.991 8.3283  -102.6863      13.66516 
1 1 1 -19 -9  13 o 65.902  7.9576  543.469    124.670  543.469    124.670  0.0000     0.0000   65.902  7.9576  ?       ?       0.000000       7.957579 
1 1 1 -19 -9  14 o 38.765  8.7588  193.303    80.443   193.303    80.443   0.0000     0.0000   38.765  8.7588  ?       ?       0.000000       8.758777 
1 1 1 -19 -9  15 o 50.089  7.3192  315.083    86.328   315.083    86.328   0.0000     0.0000   50.089  7.3192  ?       ?       0.000000       7.319162 
1 1 1 -19 -9  16 o 97.784  4.0507  1165.33    96.108   1171.75    136.641  1159.04    135.206  97.654  5.7925  97.128  5.7628  0.5267639      8.170897 
1 1 1 -19 -9  17 o 43.990  4.6576  238.797    48.958   353.857    76.852   160.210    63.514   53.404  6.0368  35.395  7.6210  18.00973       9.722271 
1 1 1 -19 -9  18 o 66.403  5.5091  543.169    87.962   429.181    119.186  679.525    130.357  58.258  8.6979  73.924  7.3655  -15.66567      11.39754 
1 1 1 -19 -9  19 o 24.640  8.4240  69.391     60.537   29.239     87.098   106.915    84.199   23.678  9.6410  29.933  9.9335  -6.255533      13.84279 
1 1 1 -19 -9  20 o 143.355 5.9187  2518.83    205.876  2811.53    277.039  2157.83    307.669  150.779 7.5968  131.223 9.7323  19.55537       12.34625 
1 1 1 -19 -9  21 o 100.463 3.8701  1229.96    94.340   1067.24    140.349  1364.08    127.420  93.045  6.2529  105.645 4.9708  -12.60022      7.987968 
1 1 1 -19 -9  22 f 185.468 4.7188  4201.92    212.355  4557.04    304.842  3867.13    295.983  192.548 6.5249  177.246 6.8822  15.30238       9.483593 
1 1 1 -19 -9  23 o 210.756 5.1677  5434.82    264.267  5807.37    377.662  5077.38    369.919  217.012 7.1723  202.752 7.5193  14.25943       10.39139 
1 1 1 -19 -9  24 o 143.747 4.4126  2523.09    153.908  2745.58    223.855  2323.65    211.949  149.492 6.1714  137.475 6.3540  12.01729       8.857748 
1 1 1 -19 -9  25 o 99.075  5.5309  1207.19    132.431  1302.85    176.172  1082.90    200.808  102.490 7.1285  92.765  9.0361  9.725159       11.50945 
1 1 1 -19 -9  26 o 103.544 7.8613  1337.44    196.033  0.0000     0.0000   1337.44    196.033  ?       ?       103.544 7.8613  0.000000       7.861333 
1 1 1 -19 -9  27 o 290.148 13.139  10908.24   925.015  0.0000     0.0000   10908.24   925.015  ?       ?       290.148 13.139  0.000000       13.13908 
1 1 1 -19 -9  28 o 22.709  9.6659  5.9872     93.368   504.879    214.306  -110.8950  103.730  60.669  14.710  18.599  8.7806  42.06989       17.13150 
1 1 1 -19 -9  29 f 29.961  7.1821  115.830    51.533   14.963     80.317   186.412    67.186   21.746  9.0940  38.077  7.5387  -16.33160      11.81241 
1 1 1 -19 -9  30 o 35.691  5.5484  160.467    46.489   161.919    61.691   158.559    70.722   35.422  7.4156  34.860  8.4493  0.5619354      11.24192 
1 1 1 -19 -9  31 o 36.417  5.7172  167.510    48.855   212.484    65.125   109.625    73.883   40.825  6.8147  29.425  9.2692  11.39908       11.50471 
1 1 1 -19 -9  32 o 84.818  4.0392  881.368    83.129   902.136    116.693  859.970    118.450  85.231  5.6751  83.126  5.9112  2.105598       8.194425 
1 1 1 -19 -9  33 o 80.965  4.0996  806.100    80.276   797.484    112.311  815.100    114.783  79.988  5.8268  80.847  5.8918  -0.8589554     8.286403 
1 1 1 -19 -9  34 o 89.660  4.6804  993.240    101.469  1029.00    122.215  913.901    182.045  90.927  5.5663  83.931  9.0840  6.995537       10.65371 
1 1 1 -19 -9  35 o 91.559  4.0197  1029.96    89.300   1003.70    125.085  1057.25    127.531  89.614  5.7835  92.001  5.7416  -2.387672      8.149513 
1 1 1 -19 -9  36 o 74.032  4.1542  676.739    74.321   767.574    104.355  583.244    105.872  78.348  5.5247  67.843  6.5115  10.50597       8.539477 
1 1 1 -19 -9  37 o 33.897  5.8698  147.534    46.530   127.940    59.962   177.190    73.769   31.008  7.9362  36.358  8.5123  -5.349276      11.63798 
1 1 1 -19 -9  38 o 22.306  6.8622  63.581     40.765   83.494     51.958   31.697     65.746   25.345  7.7389  20.920  8.4270  4.424458       11.44137 
1 1 1 -19 -9  39 o 24.110  7.2366  75.599     45.719   52.996     54.689   128.053    83.311   21.825  7.9550  30.891  9.8549  -9.065737      12.66494 
1 1 1 -19 -9  40 o 83.967  5.2050  884.021    105.524  857.145    132.096  931.421    175.425  81.807  6.7139  83.803  8.7565  -1.995621      11.03417 
1 1 1 -19 -9  41 o 71.803  4.2157  640.333    73.126   551.407    101.864  734.896    105.043  65.576  6.4870  76.217  5.7217  -10.64178      8.649847 
1 1 1 -19 -9  42 o 58.956  4.9985  436.993    70.831   418.316    96.421   458.885    104.394  56.650  7.1755  59.224  7.4280  -2.574406      10.32780 
1 1 1 -19 -9  43 o 66.125  4.6709  547.196    74.460   522.216    104.351  573.110    106.282  63.476  6.8856  66.658  6.6603  -3.182133      9.579708 
1 1 1 -19 -9  44 o 22.882  8.4438  59.531     61.893   162.013    75.766   -146.0385  107.307  34.171  9.0096  17.305  8.3692  16.86662       12.29697 
1 1 1 -19 -9  45 o 21.782  9.2929  17.969     86.670   -22.0591   205.206  26.659     95.617   28.841  13.171  23.141  9.8130  5.700609       16.42431 
1 1 1 -19 -9  46 o 22.178  9.0245  39.431     76.252   81.907     192.057  31.482     83.081   31.535  13.648  22.228  9.2684  9.307211       16.49749 
1 1 1 -19 -9  47 o 66.256  4.5194  551.971    72.222   685.264    104.283  429.108    100.119  72.956  5.9427  56.688  7.4599  16.26710       9.537607 
1 1 1 -19 -9  48 o 26.308  7.4372  94.723     49.586   116.986    70.835   73.330     69.437   28.838  9.0746  24.340  8.9496  4.498966       12.74536 
1 1 1 -19 -9  49 o 12.552  5.8001  -28.1947   41.463   -78.4836   65.292   5.7910     53.675   13.979  6.7016  16.895  7.2633  -2.916399      9.882655 
1 1 1 -19 -9  50 o 23.126  7.3932  72.171     46.869   91.248     67.890   54.800     64.786   25.801  8.9165  22.097  8.5282  3.703516       12.33828 
1 1 1 -19 -9  51 o 25.344  8.0540  89.759     55.686   78.172     73.950   104.934    84.630   24.600  9.1994  27.309  9.9046  -2.708130      13.51778 
1 1 1 -19 -9  52 o 11.686  5.6219  -61.2266   46.869   -46.6851   62.036   -80.5660   71.542   14.730  6.9025  14.611  7.0074  0.1190262      9.836077 
1 1 1 -19 -9  53 o 20.269  7.7685  46.839     53.499   131.877    73.947   -46.5592   77.496   29.655  9.2621  16.681  7.7835  12.97336       12.09836 
1 1 1 -19 -9  54 o 17.970  7.6896  13.915     59.668   13.402     68.311   15.563     122.555  18.858  8.1505  23.350  10.465  -4.491287      13.26460 
1 1 1 -19 -9  55 o 46.242  7.1404  295.071    77.536   301.477    91.019   278.123    148.039  45.622  8.5361  38.963  13.174  6.659126       15.69779 
1 1 1 -19 -9  56 o 31.323  7.4865  139.137    56.125   119.729    75.227   163.505    84.291   28.344  9.3885  32.532  9.8400  -4.187569      13.60031 
1 1 1 -19 -9  57 o 26.590  7.9373  101.496    55.112   147.810    75.656   49.134     80.444   31.248  9.2934  22.367  9.2042  8.881189       13.07994 
1 1 1 -19 -9  58 o 58.298  9.5793  510.139    130.797  275.713    401.144  538.027    138.359  35.275  16.830  59.472  9.9387  -24.19697      19.54508 
1 1 1 -19 -9  59 o 24.052  10.112  61.558     100.122  299.746    377.291  43.514     103.846  34.869  16.545  23.226  10.044  11.64289       19.35527 
1 1 1 -19 -8  1  o 122.233 4.3088  1824.79    127.795  1504.90    234.689  1959.62    152.365  109.484 8.9117  126.531 4.9628  -17.04652      10.20038 
1 1 1 -19 -8  2  o 71.400  3.5368  621.123    61.274   566.488    96.033   658.639    79.576   67.683  5.9068  73.294  4.4963  -5.610931      7.423398 
1 1 1 -19 -8  3  o 52.859  4.0029  342.661    50.959   283.158    77.206   388.597    67.835   47.473  6.9049  56.145  5.0328  -8.672279      8.544412 
1 1 1 -19 -8  4  o 85.268  3.4591  885.371    71.567   805.234    102.214  962.441    100.238  80.960  5.2312  88.645  4.6769  -7.684738      7.017055 
1 1 1 -19 -8  5  o 113.478 5.6215  1577.13    154.785  1608.19    248.229  1557.37    197.991  113.391 9.0987  112.173 7.3144  1.218651       11.67420 
1 1 1 -19 -8  6  o 111.956 5.7289  1539.14    155.103  1355.22    248.788  1656.07    198.374  103.744 10.007  115.777 7.0957  -12.03304      12.26781 
1 1 1 -19 -8  7  o 56.603  4.8796  394.181    66.362   449.557    146.845  379.969    74.392   59.105  10.630  55.440  5.6073  3.665607       12.01840 
1 1 1 -19 -8  8  o 83.349  4.4666  849.916    90.002   722.316    140.855  937.961    117.003  76.153  7.7300  87.380  5.5473  -11.22622      9.514470 
1 1 1 -19 -8  9  o 67.017  3.8476  548.889    62.304   425.430    86.572   681.540    89.737   58.593  6.1826  74.531  4.9909  -15.93794      7.945702 
1 1 1 -19 -8  10 o 143.412 4.2503  2507.50    147.899  2310.14    211.450  2696.55    206.944  137.238 6.3499  148.419 5.7465  -11.18045      8.564087 
1 1 1 -19 -8  11 o 261.644 6.0195  8386.78    382.148  8405.56    543.996  8368.48    536.950  260.620 8.6025  260.101 8.5080  0.5196228      12.09914 
1 1 1 -19 -8  12 o 150.248 6.2823  2767.84    229.030  2767.84    229.030  0.0000     0.0000   150.248 6.2823  ?       ?       0.000000       6.282341 
1 1 1 -19 -8  13 o 96.123  5.6501  1134.36    131.200  1134.36    131.200  0.0000     0.0000   96.123  5.6501  ?       ?       0.000000       5.650132 
1 1 1 -19 -8  14 o 89.467  5.6816  983.349    122.700  983.349    122.700  0.0000     0.0000   89.467  5.6816  ?       ?       0.000000       5.681648 
1 1 1 -19 -8  15 o 154.738 4.4152  2920.14    165.774  2864.05    234.921  2975.77    233.961  152.823 6.3353  155.813 6.1883  -2.990509      8.856194 
1 1 1 -19 -8  16 o 236.979 5.6314  6871.77    323.811  7462.29    461.662  6299.94    454.302  246.025 7.7336  225.784 8.2925  20.24094       11.33908 
1 1 1 -19 -8  17 o 122.937 4.0265  1841.71    120.108  1932.03    173.959  1759.43    166.035  125.636 5.7065  119.893 5.7075  5.743378       8.070859 
1 1 1 -19 -8  18 o 182.010 6.4256  4064.96    283.773  3783.74    383.989  4403.35    421.222  174.391 9.1063  188.313 9.2187  -13.92197      12.95793 
1 1 1 -19 -8  19 o 74.648  5.7156  686.118    102.738  827.424    139.627  519.297    151.709  81.709  7.1136  63.792  10.141  17.91710       12.38691 
1 1 1 -19 -8  20 f 43.925  7.1985  243.465    74.064   290.724    102.017  190.794    107.698  47.630  9.1600  38.492  10.988  9.138073       14.30548 
1 1 1 -19 -8  21 o 112.131 3.9887  1532.51    108.522  1678.80    157.991  1401.84    149.323  117.104 5.5603  106.819 5.7828  10.28532       8.022291 
1 1 1 -19 -8  22 o 109.017 3.9370  1448.60    104.140  1589.28    151.280  1321.88    143.576  113.941 5.4719  103.717 5.7274  10.22390       7.921128 
1 1 1 -19 -8  23 o 85.421  3.9731  889.608    82.347   1011.27    124.843  795.905    109.561  90.665  5.7040  80.403  5.6519  10.26227       8.029912 
1 1 1 -19 -8  24 o 40.996  8.1819  215.320    78.535   261.592    112.642  171.551    109.554  44.774  10.543  36.717  11.242  8.057682       15.41201 
1 1 1 -19 -8  25 o 83.216  5.7716  853.649    115.818  0.0000     0.0000   853.649    115.818  ?       ?       83.216  5.7716  0.000000       5.771624 
1 1 1 -19 -8  26 o 125.429 8.1769  1962.62    247.497  0.0000     0.0000   1962.62    247.497  ?       ?       125.429 8.1769  0.000000       8.176905 
1 1 1 -19 -8  27 o 191.464 7.8562  4554.12    364.975  2436.80    563.439  6084.82    479.069  132.923 17.927  220.544 8.9524  -87.62067      20.03788 
1 1 1 -19 -8  28 o 16.233  7.7366  -105.9804  84.306   723.931    197.330  -291.2844  93.244   74.585  11.254  12.848  6.4727  61.73745       12.98255 
1 1 1 -19 -8  29 o 129.454 5.3618  2059.93    168.419  1381.23    270.698  2488.57    215.126  103.413 10.955  141.958 6.2455  -38.54510      12.61019 
1 1 1 -19 -8  30 o 57.457  4.4952  406.962    62.170   264.783    85.184   569.010    90.941   45.378  8.0305  67.739  5.5827  -22.36094      9.780361 
1 1 1 -19 -8  31 o 18.897  6.9696  35.723     42.158   43.556     54.910   24.478     65.796   21.171  7.9252  20.651  8.3908  0.5198879      11.54180 
1 1 1 -19 -8  32 o 27.361  6.7013  96.878     44.135   78.822     56.822   124.338    70.074   25.239  8.1480  30.887  8.8779  -5.648254      12.05019 
1 1 1 -19 -8  33 o 103.907 4.0792  1324.23    102.844  1366.95    145.653  1281.76    145.234  104.863 5.7463  101.456 5.9254  3.406967       8.254132 
1 1 1 -19 -8  34 o 18.822  6.9076  36.485     41.338   33.960     47.617   44.213     83.289   19.248  7.3405  23.908  9.5354  -4.659647      12.03358 
1 1 1 -19 -8  35 o 112.745 4.0969  1562.58    112.076  1451.28    159.374  1671.47    157.639  107.629 6.1281  115.949 5.6032  -8.319427      8.303522 
1 1 1 -19 -8  36 o 73.001  4.1706  658.199    73.567   611.514    102.404  707.990    105.755  69.645  6.1220  75.091  5.8504  -5.446632      8.468003 
1 1 1 -19 -8  37 o 39.554  5.3089  197.919    49.666   208.967    64.606   181.957    77.656   40.139  6.8811  36.750  8.8208  3.389622       11.18732 
1 1 1 -19 -8  38 o 95.766  5.2300  1145.91    121.068  1061.02    152.438  1290.92    199.240  91.137  6.9457  99.513  8.3281  -8.375153      10.84434 
1 1 1 -19 -8  39 o 97.807  5.3001  1198.04    125.312  1132.53    158.347  1307.81    204.984  94.010  6.9918  99.778  8.5495  -5.767120      11.04438 
1 1 1 -19 -8  40 o 51.632  5.5884  338.040    68.895   322.558    82.663   373.258    124.673  49.811  7.0353  51.862  10.271  -2.051041      12.44926 
1 1 1 -19 -8  41 o 60.796  4.5890  461.655    67.195   544.849    98.491   389.211    91.907   65.285  6.2956  54.709  7.0902  10.57585       9.481883 
1 1 1 -19 -8  42 o 38.132  6.4904  189.534    57.900   215.060    83.135   165.490    80.685   39.636  8.8661  34.557  9.3816  5.079098       12.90822 
1 1 1 -19 -8  43 o 72.309  4.4194  651.844    77.167   746.693    111.657  565.119    106.768  76.530  6.0626  66.135  6.7480  10.39588       9.071388 
1 1 1 -19 -8  44 o 24.868  9.0382  74.143     70.525   -95.5261   154.351  118.910    79.285   23.274  10.900  29.586  9.6306  -6.312305      14.54529 
1 1 1 -19 -8  45 o 16.460  7.3973  -20.1955   61.679   173.671    163.600  -52.3173   66.594   35.257  13.568  15.462  7.2150  19.79502       15.36661 
1 1 1 -19 -8  46 o 75.634  6.5117  741.664    118.338  665.926    229.043  769.243    138.215  63.360  15.111  76.192  7.5767  -12.83218      16.90368 
1 1 1 -19 -8  47 o 43.371  5.7041  243.412    58.570   174.456    82.254   314.336    83.420   34.865  9.4754  48.474  7.3206  -13.60902      11.97393 
1 1 1 -19 -8  48 o 19.323  7.3313  39.540     47.346   19.529     67.030   59.463     66.884   19.588  8.2563  22.872  8.7051  -3.283426      11.99772 
1 1 1 -19 -8  49 o 47.997  5.2517  296.661    60.163   244.141    85.707   347.683    84.474   41.416  8.8001  50.911  7.0256  -9.494293      11.26056 
1 1 1 -19 -8  50 o 15.501  6.6607  4.2247     45.104   -56.4474   64.353   62.806     63.234   14.704  6.9338  22.736  8.5059  -8.031699      10.97395 
1 1 1 -19 -8  51 o 20.041  7.6274  45.055     51.349   15.825     68.998   81.340     76.874   19.256  8.2553  24.977  9.3718  -5.721119      12.48928 
1 1 1 -19 -8  52 o 59.351  5.1657  455.824    73.649   447.890    103.277  464.033    105.057  56.779  7.6946  57.818  7.6785  -1.039001      10.87044 
1 1 1 -19 -8  53 o 20.974  8.4407  44.214     65.893   75.563     76.878   -42.5767   127.915  24.263  9.3093  21.542  10.034  2.721794       13.68753 
1 1 1 -19 -8  54 o 22.760  8.4193  66.925     61.610   40.509     72.304   136.940    117.713  21.153  8.7179  29.836  11.501  -8.683071      14.43163 
1 1 1 -19 -8  55 o 39.720  6.6072  214.894    61.441   189.496    83.167   245.410    91.163   35.260  9.5050  40.302  9.4810  -5.041592      13.42514 
1 1 1 -19 -8  56 o 16.598  7.1453  7.5087     52.087   73.870     68.935   -80.7878   79.517   23.781  8.8842  15.568  7.4455  8.212704       11.59155 
1 1 1 -19 -8  57 o 21.227  9.4406  8.1285     97.703   112.214    363.017  -0.0000    101.447  32.845  15.761  21.135  9.4935  11.70950       18.39919 
1 1 1 -19 -8  58 o 39.045  12.440  271.189    132.779  402.596    359.819  250.474    142.862  37.843  17.341  36.939  12.925  0.9040260      21.62768 
1 1 1 -19 -8  59 o 22.763  10.219  18.394     117.355  60.784     315.656  11.595     126.417  30.188  14.539  23.027  10.446  7.160854       17.90251 
1 1 1 -19 -7  1  o 13.296  5.1267  14.131     23.397   34.428     37.584   1.2888     29.896   18.285  6.6053  12.979  5.4946  5.305985       8.591913 
1 1 1 -19 -7  2  o 51.408  3.4602  323.290    42.911   270.930    60.536   376.167    60.834   46.729  5.4410  55.313  4.5738  -8.583935      7.107989 
1 1 1 -19 -7  3  o 78.965  3.5294  759.385    67.623   748.432    95.065   770.604    96.213   78.080  5.0448  79.235  5.0305  -1.155144      7.124366 
1 1 1 -19 -7  4  o 83.055  4.0688  840.988    81.998   757.527    100.613  1006.07    141.501  78.516  5.3124  90.275  6.5035  -11.75883      8.397437 
1 1 1 -19 -7  5  o 135.550 5.9137  2251.52    194.501  2227.03    304.899  2268.33    252.564  133.464 9.4768  135.372 7.7211  -1.908539      12.22394 
1 1 1 -19 -7  6  f 113.090 5.7427  1569.89    157.063  1437.29    251.777  1654.36    200.959  106.998 9.8070  115.724 7.1924  -8.725769      12.16171 
1 1 1 -19 -7  7  o 43.947  14.809  237.532    187.050  176.889    249.089  315.948    283.247  43.168  16.705  51.097  18.170  -7.929459      24.68180 
1 1 1 -19 -7  8  o 108.409 3.8217  1431.45    100.527  1342.95    143.911  1515.78    140.485  104.603 5.6914  111.370 5.1987  -6.766983      7.708370 
1 1 1 -19 -7  9  o 125.108 3.9976  1907.02    121.354  1607.89    174.609  2186.52    168.781  114.346 6.3179  133.766 5.2001  -19.42068      8.182701 
1 1 1 -19 -7  10 o 92.571  3.9780  1043.99    89.353   1053.57    128.181  1034.94    124.622  92.614  5.7322  91.810  5.6213  0.8042603      8.028509 
1 1 1 -19 -7  11 o 106.576 5.8560  1394.52    150.855  1394.52    150.855  0.0000     0.0000   106.576 5.8560  ?       ?       0.000000       5.856029 
1 1 1 -19 -7  12 f 139.059 6.1064  2368.93    206.037  2368.93    206.037  0.0000     0.0000   139.059 6.1064  ?       ?       0.000000       6.106378 
1 1 1 -19 -7  13 o 126.662 7.5558  1982.15    231.160  1982.15    231.160  0.0000     0.0000   126.662 7.5558  ?       ?       0.000000       7.555832 
1 1 1 -19 -7  14 o 136.134 4.2364  2258.94    139.937  2303.97    199.224  2215.10    196.604  137.164 5.9860  134.485 6.0250  2.679611       8.493063 
1 1 1 -19 -7  15 o 94.180  4.0644  1080.78    92.881   1329.67    140.466  887.420    123.811  104.118 5.5804  84.909  6.0491  19.20892       8.229933 
1 1 1 -19 -7  16 o 88.175  4.0183  947.279    85.971   1115.71    130.690  818.789    114.147  95.327  5.6759  81.588  5.8038  13.73878       8.117843 
1 1 1 -19 -7  17 f 119.145 4.9583  1733.53    143.343  1852.28    175.897  1498.77    247.328  122.992 5.8941  109.487 9.4011  13.50542       11.09602 
1 1 1 -19 -7  18 o 119.237 6.0630  1746.39    174.835  2269.38    239.560  1150.36    255.741  135.603 7.3078  95.149  11.298  40.45412       13.45551 
1 1 1 -19 -7  19 o 68.306  6.2968  576.904    103.187  730.634    145.540  421.518    146.321  76.550  7.9516  57.130  10.954  19.41951       13.53586 
1 1 1 -19 -7  20 o 115.222 4.6125  1620.29    128.953  2203.62    224.152  1331.73    157.654  133.700 6.9333  104.013 6.2761  29.68629       9.352028 
1 1 1 -19 -7  21 o 133.672 4.2200  2178.90    136.874  2400.61    199.057  1980.07    188.511  139.976 5.8608  127.071 6.1140  12.90559       8.469390 
1 1 1 -19 -7  22 o 81.063  4.1551  803.383    81.453   952.088    124.167  691.052    107.918  87.953  5.8517  74.842  5.9930  13.11060       8.376032 
1 1 1 -19 -7  23 o 79.882  4.2815  780.728    82.684   819.953    134.500  756.898    104.834  81.341  6.8792  78.425  5.5449  2.916527       8.835659 
1 1 1 -19 -7  24 f 51.020  6.2339  324.317    75.568   0.0000     0.0000   324.317    75.568   ?       ?       51.020  6.2339  0.000000       6.233902 
1 1 1 -19 -7  25 o 14.196  6.5165  -36.4978   51.125   0.0000     0.0000   -36.4978   51.125   ?       ?       14.196  6.5165  0.000000       6.516528 
1 1 1 -19 -7  26 f 100.684 7.4088  1260.48    179.726  0.0000     0.0000   1260.48    179.726  ?       ?       100.684 7.4088  0.000000       7.408800 
1 1 1 -19 -7  27 o 197.122 7.2302  4809.36    345.818  5083.43    540.208  4619.06    450.140  199.650 11.197  191.439 9.7226  8.210922       14.82874 
1 1 1 -19 -7  28 o 77.937  6.0844  752.699    114.148  820.490    207.922  723.452    136.569  79.574  11.068  75.984  7.5055  3.590546       13.37321 
1 1 1 -19 -7  29 o 37.595  5.3814  177.118    47.689   168.424    66.275   186.453    68.675   36.103  7.7938  38.046  7.7033  -1.942669      10.95833 
1 1 1 -19 -7  30 o 49.186  4.5200  298.933    53.341   301.492    74.366   296.222    76.552   48.957  6.4146  48.447  6.6908  0.5104370      9.268925 
1 1 1 -19 -7  31 o 39.075  5.0069  190.727    46.380   205.511    65.034   175.427    66.162   40.100  6.9348  36.799  7.6590  3.301079       10.33209 
1 1 1 -19 -7  32 f 60.432  4.1306  449.661    60.205   447.251    83.571   452.260    86.808   59.838  5.8299  60.116  6.0326  -0.2776527     8.389297 
1 1 1 -19 -7  33 o 70.370  4.7170  612.279    80.076   563.434    94.904   732.995    149.197  67.140  5.8850  75.643  8.2632  -8.503494      10.14462 
1 1 1 -19 -7  34 o 172.396 4.6233  3661.91    193.396  3656.60    275.677  3667.05    271.381  170.876 6.6490  171.213 6.5325  -0.3368530     9.321071 
1 1 1 -19 -7  35 o 68.408  4.0217  576.945    66.461   581.093    93.368   572.685    94.625   68.112  5.7019  67.567  5.8287  0.5446472      8.153920 
1 1 1 -19 -7  36 o 42.237  4.7637  223.287    47.968   250.424    66.689   194.197    69.046   44.251  6.3966  38.445  7.6706  5.806591       9.987772 
1 1 1 -19 -7  37 o 55.525  4.2741  382.521    57.140   371.163    79.570   394.614    82.106   54.045  6.1788  55.747  6.1737  -1.701454      8.734524 
1 1 1 -19 -7  38 o 45.928  6.0687  269.333    65.974   241.442    79.842   329.362    117.136  42.689  8.0022  48.911  10.200  -6.222614      12.96457 
1 1 1 -19 -7  39 o 118.334 5.5078  1753.36    158.144  1656.61    201.948  1906.75    254.290  113.436 7.3772  120.324 8.7702  -6.888527      11.46040 
1 1 1 -19 -7  40 o 75.741  4.2298  711.850    77.425   745.654    117.486  685.899    102.941  76.454  6.3918  73.622  5.8097  2.832146       8.637607 
1 1 1 -19 -7  41 o 110.227 4.2054  1503.99    112.477  1568.75    160.162  1440.97    157.992  111.331 5.9505  106.549 6.1371  4.782692       8.548250 
1 1 1 -19 -7  42 o 42.398  5.5615  229.463    55.834   229.406    81.008   229.514    77.062   41.188  8.3906  41.399  7.9607  -0.2106285     11.56616 
1 1 1 -19 -7  43 o 51.894  5.5189  342.366    68.426   397.710    89.581   264.848    106.020  55.344  6.8149  43.254  10.257  12.09017       12.31487 
1 1 1 -19 -7  44 o 18.853  8.0888  6.5457     66.335   -18.3374   150.242  12.571     73.932   25.553  11.509  20.154  8.5903  5.398670       14.36111 
1 1 1 -19 -7  45 o 19.309  8.1365  15.724     65.075   134.966    168.630  -5.1411    70.539   33.235  13.458  18.550  8.1451  14.68440       15.73074 
1 1 1 -19 -7  46 o 75.132  4.5133  707.957    81.897   754.082    117.118  663.823    114.563  76.332  6.3820  71.369  6.6938  4.962975       9.248594 
1 1 1 -19 -7  47 o 78.792  4.3274  778.109    82.416   777.040    117.985  779.128    115.173  77.343  6.3428  77.584  6.1690  -0.2412262     8.848046 
1 1 1 -19 -7  48 o 20.379  7.4291  48.743     47.701   25.459     72.195   66.783     63.548   20.527  8.6057  23.343  8.5649  -2.816031      12.14149 
1 1 1 -19 -7  49 o 46.062  5.4686  274.968    59.926   271.153    85.186   278.707    84.317   44.036  8.2764  44.815  8.0499  -0.7789803     11.54559 
1 1 1 -19 -7  50 o 53.999  5.0212  374.423    65.036   419.016    92.303   330.458    91.650   55.793  6.9704  48.710  8.0347  7.082935       10.63687 
1 1 1 -19 -7  51 o 36.676  7.0994  185.297    60.895   197.437    81.869   170.263    91.107   36.468  9.2409  33.230  10.265  3.237476       13.81154 
1 1 1 -19 -7  52 o 22.746  7.9613  68.981     54.207   97.752     72.585   32.701     81.508   26.236  9.2110  21.419  9.0704  4.816380       12.92725 
1 1 1 -19 -7  53 o 13.490  6.3920  -53.4211   55.924   -67.2959   63.184   -3.2368    120.164  13.954  6.6634  22.458  10.187  -8.504117      12.17258 
1 1 1 -19 -7  54 o 22.103  8.4432  59.231     63.063   68.872     71.740   26.447     132.287  23.440  8.9930  24.450  10.921  -1.009703      14.14751 
1 1 1 -19 -7  55 o 53.190  5.6706  372.058    72.056   340.707    95.035   414.452    110.513  48.827  8.3199  53.451  8.8294  -4.624310      12.13176 
1 1 1 -19 -7  56 o 29.972  7.8709  129.023    57.975   114.715    74.144   151.536    93.002   27.882  9.3238  31.160  10.442  -3.277914      13.99906 
1 1 1 -19 -7  57 o 36.247  12.323  229.123    129.538  308.286    324.517  214.119    141.281  36.558  16.643  34.785  12.770  1.773029       20.97763 
1 1 1 -19 -7  58 o 51.648  11.674  442.892    142.863  326.936    347.263  466.516    156.742  36.094  16.716  51.795  12.594  -15.70164      20.92953 
1 1 1 -19 -7  59 o 20.474  9.3996  -15.8911   106.405  6.4830     316.097  -18.7505   113.000  29.096  14.142  20.858  9.6163  8.238363       17.10137 
1 1 1 -19 -6  1  o 166.951 4.3324  3401.71    175.501  3231.36    251.444  3563.53    245.070  162.153 6.3908  170.436 5.9260  -8.283569      8.715490 
1 1 1 -19 -6  2  o 72.195  3.4455  634.624    60.357   617.293    86.888   650.786    83.907   70.875  5.0863  72.836  4.7742  -1.961006      6.975914 
1 1 1 -19 -6  3  o 71.480  3.6082  623.807    62.378   528.807    87.052   724.063    89.427   65.501  5.5289  76.845  4.8205  -11.34340      7.335284 
1 1 1 -19 -6  4  o 149.870 6.3838  2756.49    232.143  2253.59    357.572  3122.89    305.211  133.548 11.136  159.034 7.9095  -25.48619      13.65933 
1 1 1 -19 -6  5  o 184.934 6.7205  4201.03    301.566  4432.83    459.310  4025.40    399.812  188.269 10.091  179.845 9.1928  8.424316       13.65067 
1 1 1 -19 -6  6  o 244.050 12.642  7555.82    746.067  10787.50   1074.13  4543.49    1037.04  288.748 15.387  178.616 24.579  110.1314       28.99822 
1 1 1 -19 -6  7  o 74.348  3.6958  673.044    66.672   623.275    93.913   723.616    94.668   71.186  5.4792  76.798  5.1095  -5.611244      7.491895 
1 1 1 -19 -6  8  o 67.866  3.7769  562.595    61.949   533.641    86.723   592.763    88.522   65.841  5.4782  69.447  5.2932  -3.606163      7.617606 
1 1 1 -19 -6  9  o 133.777 4.1192  2180.74    133.708  2141.61    191.061  2218.30    187.181  132.255 5.9538  134.648 5.7293  -2.392609      8.262713 
1 1 1 -19 -6  10 o 138.766 6.2679  2359.84    211.043  2359.84    211.043  0.0000     0.0000   138.766 6.2679  ?       ?       0.000000       6.267915 
1 1 1 -19 -6  11 o 121.037 7.6823  1811.17    224.449  1811.17    224.449  0.0000     0.0000   121.037 7.6823  ?       ?       0.000000       7.682299 
1 1 1 -19 -6  12 o 64.233  7.0373  512.705    107.885  512.705    107.885  0.0000     0.0000   64.233  7.0373  ?       ?       0.000000       7.037286 
1 1 1 -19 -6  13 o 68.244  4.4580  570.273    73.413   564.647    108.357  575.046    99.812   67.513  6.7032  68.260  6.0903  -0.7465439     9.056725 
1 1 1 -19 -6  14 o 113.538 4.0278  1570.44    110.961  1772.43    163.928  1399.63    150.745  120.384 5.6120  106.787 5.8400  13.59723       8.099396 
1 1 1 -19 -6  15 o 136.884 4.2910  2284.02    142.519  2701.94    209.071  1921.24    194.791  148.592 5.7988  125.012 6.4436  23.57920       8.668697 
1 1 1 -19 -6  16 o 126.717 4.2045  1957.04    129.275  2224.05    189.670  1725.38    176.667  134.807 5.7986  118.514 6.1648  16.29293       8.463370 
1 1 1 -19 -6  17 o 75.698  6.0703  706.293    110.558  773.144    156.917  640.396    155.795  78.695  8.3451  71.310  9.2199  7.385330       12.43577 
1 1 1 -19 -6  18 o 86.848  6.1888  928.928    129.561  1267.96    181.005  572.720    185.534  101.232 7.4207  66.555  11.927  34.67655       14.04706 
1 1 1 -19 -6  19 f 193.419 7.1070  4600.92    333.541  5173.16    455.391  3938.68    489.893  204.169 9.1924  176.712 11.488  27.45705       14.71294 
1 1 1 -19 -6  20 o 166.672 4.6841  3390.71    189.430  3937.62    273.022  2883.05    263.044  179.180 6.2798  153.095 7.0812  26.08446       9.464588 
1 1 1 -19 -6  21 o 139.953 4.4919  2389.93    152.537  2734.86    220.709  2074.51    211.054  149.355 6.0903  129.764 6.7262  19.59085       9.073727 
1 1 1 -19 -6  22 o 70.082  4.4132  601.600    74.662   607.571    115.084  597.260    98.111   69.962  6.8679  69.573  5.8665  0.3885956      9.032377 
1 1 1 -19 -6  23 f 67.641  9.0075  577.990    144.160  0.0000     0.0000   577.990    144.160  ?       ?       67.641  9.0075  0.000000       9.007538 
1 1 1 -19 -6  24 o 167.757 6.4063  3459.04    260.767  0.0000     0.0000   3459.04    260.767  ?       ?       167.757 6.4063  0.000000       6.406301 
1 1 1 -19 -6  25 o 126.340 7.7111  1982.17    235.254  0.0000     0.0000   1982.17    235.254  ?       ?       126.340 7.7111  0.000000       7.711104 
1 1 1 -19 -6  26 o 31.132  9.3069  122.933    75.731   144.083    200.530  119.415    81.787   38.743  14.990  30.956  9.7526  7.787464       17.88293 
1 1 1 -19 -6  27 o 120.072 6.1144  1778.79    177.549  1494.71    294.029  1941.82    222.743  107.803 11.414  125.000 7.3766  -17.19701      13.59054 
1 1 1 -19 -6  28 o 56.257  4.1928  388.906    56.821   426.868    80.572   351.344    80.145   58.643  5.7359  53.005  6.3585  5.638390       8.563318 
1 1 1 -19 -6  29 o 88.275  3.9148  952.061    83.852   928.552    118.894  975.326    118.277  86.664  5.6855  88.878  5.5118  -2.213585      7.918653 
1 1 1 -19 -6  30 o 44.336  4.7970  243.972    50.783   228.553    70.721   260.386    72.968   42.324  7.1405  45.322  6.8489  -2.997505      9.894149 
1 1 1 -19 -6  31 o 81.067  3.9251  804.158    77.207   874.430    109.284  734.136    109.090  84.056  5.3866  76.835  5.8964  7.220642       7.986435 
1 1 1 -19 -6  32 o 103.250 3.9727  1305.87    99.527   1289.21    141.851  1322.02    139.678  101.900 5.7607  103.258 5.5958  -1.358490      8.031139 
1 1 1 -19 -6  33 o 100.927 3.9674  1248.91    97.159   1276.86    138.928  1222.16    135.928  101.349 5.6722  99.147  5.6738  2.201736       8.022840 
1 1 1 -19 -6  34 o 129.333 4.1395  2055.03    129.905  2077.33    185.396  2033.53    182.075  129.194 5.9142  127.849 5.8693  1.344864       8.332268 
1 1 1 -19 -6  35 o 97.805  3.9553  1175.18    93.866   1191.67    133.738  1159.17    131.777  97.699  5.6659  96.356  5.6612  1.343781       8.009479 
1 1 1 -19 -6  36 o 78.504  3.9899  759.974    75.751   699.327    108.116  818.454    106.168  74.525  6.0306  80.926  5.4384  -6.400475      8.120661 
1 1 1 -19 -6  37 o 60.609  4.1423  454.879    60.553   414.271    85.109   496.509    86.172   57.093  6.2456  62.776  5.7201  -5.683041      8.469155 
1 1 1 -19 -6  38 o 78.435  5.2043  769.813    98.483   728.813    122.798  843.719    164.871  75.520  6.7734  80.091  8.6196  -4.571793      10.96253 
1 1 1 -19 -6  39 f 24.930  7.5487  81.134     49.587   73.877     57.668   101.719    97.131   24.339  8.2224  28.954  10.594  -4.614286      13.41061 
1 1 1 -19 -6  40 o 24.932  6.5564  81.849     40.191   27.510     54.501   146.628    59.507   19.204  7.6948  33.128  7.5686  -13.92439      10.79318 
1 1 1 -19 -6  41 o 107.045 4.1936  1418.32    108.922  1436.66    155.882  1400.82    152.259  106.442 6.0606  105.153 5.9924  1.288780       8.522895 
1 1 1 -19 -6  42 o 47.022  5.3519  280.566    59.974   148.117    84.781   413.236    84.852   32.695  9.8638  56.753  6.2663  -24.05797      11.68595 
1 1 1 -19 -6  43 o 101.313 4.3815  1275.14    107.710  1296.46    153.555  1254.48    151.124  100.728 6.3147  99.075  6.3194  1.653198       8.933676 
1 1 1 -19 -6  44 o 21.790  8.5809  43.895     66.657   326.751    156.551  -18.7394   73.668   45.857  13.296  18.184  8.1343  27.67333       15.58650 
1 1 1 -19 -6  45 o 49.344  7.7204  325.768    89.406   5.8014     198.287  407.418    100.166  29.217  13.184  55.308  7.6704  -26.09128      15.25321 
1 1 1 -19 -6  46 o 84.362  4.4158  891.274    90.075   901.423    128.462  881.459    126.336  83.438  6.3939  82.534  6.3575  0.9042435      9.016621 
1 1 1 -19 -6  47 f 29.452  7.1670  118.222    50.731   84.933     73.429   148.624    70.172   25.677  9.2384  32.428  8.7263  -6.750641      12.70813 
1 1 1 -19 -6  48 o 20.233  7.4573  47.282     48.251   80.328     70.591   18.303     66.105   24.985  9.0483  19.358  8.1814  5.626865       12.19864 
1 1 1 -19 -6  49 f 32.110  7.1591  141.725    54.356   191.962    76.447   90.360     77.300   36.578  8.7341  26.039  9.4626  10.53898       12.87733 
1 1 1 -19 -6  50 o 37.121  7.2416  189.723    62.883   130.753    83.318   267.776    95.856   29.750  9.8818  42.594  9.5148  -12.84459      13.71789 
1 1 1 -19 -6  51 o 49.608  5.9224  324.851    69.879   341.918    91.912   301.471    107.573  49.423  7.9328  44.443  10.193  4.979496       12.91579 
1 1 1 -19 -6  52 o 25.564  8.3506  92.713     59.590   20.372     74.366   222.485    99.604   19.982  8.5686  37.559  10.514  -17.57718      13.56312 
1 1 1 -19 -6  53 o 22.762  8.7987  62.528     69.046   65.754     80.013   53.118     136.643  23.632  9.3709  25.874  11.349  -2.241899      14.71781 
1 1 1 -19 -6  54 o 19.709  8.1205  32.013     62.711   45.879     70.773   -18.6654   135.300  21.481  8.7114  22.909  10.548  -1.428488      13.67985 
1 1 1 -19 -6  55 o 15.921  7.0106  -2.6722    52.587   22.515     66.382   -45.1125   86.169   19.352  8.1898  17.741  8.2545  1.610941       11.62791 
1 1 1 -19 -6  56 o 19.441  7.7873  36.183     55.802   5.7915     72.527   80.275     87.358   18.845  8.2671  25.103  9.8429  -6.257792      12.85414 
1 1 1 -19 -6  57 o 26.866  11.219  88.657     121.984  187.910    316.535  71.346     132.194  33.656  15.713  26.364  11.366  7.291809       19.39309 
1 1 1 -19 -6  58 o 44.713  11.717  339.487    128.657  226.987    336.119  358.799    139.263  33.786  15.906  45.190  12.349  -11.40417      20.13734 
1 1 1 -19 -5  1  o 124.525 3.8458  1889.69    116.201  1818.78    165.358  1958.88    163.326  121.864 5.5922  126.527 5.3200  -4.662872      7.718480 
1 1 1 -19 -5  2  o 126.716 3.9475  1956.86    121.372  2000.96    173.930  1915.01    169.449  127.842 5.6071  125.072 5.5836  2.770897       7.913025 
1 1 1 -19 -5  3  o 11.502  5.5138  -62.7684   44.174   0.0000     0.0000   -62.7684   44.174   ?       ?       11.502  5.5138  0.000000       5.513772 
1 1 1 -19 -5  4  o 142.308 6.2389  2483.12    215.427  2071.01    332.739  2780.53    282.668  128.213 10.796  149.954 7.7957  -21.74117      13.31650 
1 1 1 -19 -5  5  o 58.789  6.3299  428.527    88.870   453.047    144.348  413.560    112.778  59.464  10.382  57.285  8.3599  2.178638       13.32962 
1 1 1 -19 -5  6  o 109.224 3.8170  1452.87    101.158  1354.22    143.503  1550.32    142.619  105.063 5.6499  112.641 5.2182  -7.576981      7.690996 
1 1 1 -19 -5  7  o 30.445  5.5636  116.838    39.586   78.450     52.134   169.102    60.832   25.227  7.7603  36.487  7.1268  -11.25981      10.53631 
1 1 1 -19 -5  8  o 38.791  4.7137  186.255    43.455   210.000    58.132   156.184    65.420   40.990  6.0246  34.926  7.9040  6.064129       9.938241 
1 1 1 -19 -5  9  o 58.397  4.6106  418.509    64.799   417.327    95.219   419.529    88.435   57.904  6.9139  58.169  6.3698  -0.2655296     9.400877 
1 1 1 -19 -5  10 o 117.882 7.6931  1718.02    218.841  1718.02    218.841  0.0000     0.0000   117.882 7.6931  ?       ?       0.000000       7.693134 
1 1 1 -19 -5  11 o 202.599 7.5574  5051.38    371.515  5051.38    371.515  0.0000     0.0000   202.599 7.5574  ?       ?       0.000000       7.557445 
1 1 1 -19 -5  12 o 21.106  7.8664  42.059     53.983   38.050     86.107   44.655     69.292   24.248  9.6875  23.009  8.8357  1.239521       13.11170 
1 1 1 -19 -5  13 o 198.447 5.0532  4808.45    243.318  5021.79    347.038  4602.17    341.243  202.182 7.0741  193.483 7.2687  8.698563       10.14281 
1 1 1 -19 -5  14 o 107.961 3.9981  1419.78    104.734  1575.71    156.033  1291.92    141.294  113.505 5.6655  102.619 5.6970  10.88677       8.034519 
1 1 1 -19 -5  15 o 54.666  4.3781  366.626    57.586   356.034    91.844   373.488    73.920   53.341  7.2869  54.984  5.6196  -1.643944      9.202095 
1 1 1 -19 -5  16 o 47.047  4.7151  272.720    53.100   309.126    84.278   248.754    68.381   49.653  7.2057  44.586  6.5129  5.066975       9.712852 
1 1 1 -19 -5  17 o 31.332  8.3010  125.530    64.117   -20.0145   91.040   268.760    90.314   21.106  9.2606  45.963  8.4079  -24.85699      12.50804 
1 1 1 -19 -5  18 o 117.720 5.7360  1695.84    163.842  1872.87    218.163  1466.83    248.134  123.168 7.3331  108.276 9.5423  14.89207       12.03450 
1 1 1 -19 -5  19 f 45.472  8.0929  262.521    86.020   482.193    120.384  33.353     122.958  61.977  8.2071  27.552  11.364  34.42456       14.01737 
1 1 1 -19 -5  20 o 125.192 4.0952  1910.22    124.399  1791.05    182.706  2013.21    169.850  120.698 6.2601  128.295 5.4562  -7.596817      8.304189 
1 1 1 -19 -5  21 o 14.579  6.4717  -16.0389   45.707   -32.5441   128.051  -13.6290   48.930   24.680  10.900  15.333  6.7564  9.347528       12.82406 
1 1 1 -19 -5  22 o 118.813 8.7508  1759.71    250.501  0.0000     0.0000   1759.71    250.501  ?       ?       118.813 8.7508  0.000000       8.750784 
1 1 1 -19 -5  23 o 118.413 5.6485  1717.64    162.292  0.0000     0.0000   1717.64    162.292  ?       ?       118.413 5.6485  0.000000       5.648502 
1 1 1 -19 -5  24 o 71.498  5.7004  630.469    98.071   0.0000     0.0000   630.469    98.071   ?       ?       71.498  5.7004  0.000000       5.700372 
1 1 1 -19 -5  25 o 80.628  6.3099  803.951    122.459  775.788    247.203  813.110    140.972  76.570  13.814  80.841  7.2643  -4.271049      15.60729 
1 1 1 -19 -5  26 o 59.311  6.6560  438.744    94.135   413.675    180.628  448.091    110.297  55.549  13.527  59.648  7.8083  -4.099144      15.61907 
1 1 1 -19 -5  27 o 168.708 6.7434  3514.36    276.043  3278.79    430.204  3679.24    359.904  160.232 11.134  171.441 8.6801  -11.20889      14.11800 
1 1 1 -19 -5  28 o 142.607 4.2952  2486.72    148.623  2408.11    211.435  2563.49    208.956  139.731 6.2362  144.267 5.9693  -4.536148      8.632668 
1 1 1 -19 -5  29 o 39.832  5.0600  197.792    47.800   252.571    65.948   137.158    69.383   44.816  6.2333  32.486  8.6488  12.33038       10.66097 
1 1 1 -19 -5  30 o 40.332  5.0375  202.893    48.222   201.201    65.772   204.861    70.912   39.658  7.0956  39.890  7.6039  -0.2327881     10.40034 
1 1 1 -19 -5  31 o 117.661 4.0461  1695.16    115.512  1790.12    165.074  1604.04    161.696  120.386 5.6511  113.733 5.8795  6.653709       8.154978 
1 1 1 -19 -5  32 o 99.426  3.9370  1210.94    94.980   1150.43    135.260  1269.79    133.404  96.200  5.8221  101.232 5.4512  -5.031334      7.975731 
1 1 1 -19 -5  33 o 63.826  4.0973  501.911    63.118   529.275    89.360   474.667    89.166   65.090  5.7159  61.507  6.0531  3.583740       8.325320 
1 1 1 -19 -5  34 o 73.725  4.0063  669.296    71.399   678.885    100.498  659.524    101.455  73.718  5.6617  72.599  5.8081  1.119514       8.111047 
1 1 1 -19 -5  35 o 64.201  4.0815  508.855    63.251   547.570    89.033   469.405    89.874   66.116  5.6025  60.978  6.1587  5.137711       8.325706 
1 1 1 -19 -5  36 o 42.178  4.8915  223.164    49.130   273.056    67.439   166.738    71.719   46.303  6.1551  35.301  8.4793  11.00188       10.47774 
1 1 1 -19 -5  37 o 14.199  6.2634  -9.8553    42.157   -19.5034   48.008   22.647     88.116   14.525  6.5270  22.624  9.4973  -8.098963      11.52389 
1 1 1 -19 -5  38 o 39.923  6.5349  206.287    61.112   251.885    72.410   93.402     113.932  44.010  7.0164  29.281  11.307  14.72965       13.30697 
1 1 1 -19 -5  39 o 50.014  6.0165  319.210    71.548   369.852    86.529   209.745    127.217  53.528  6.8169  38.273  12.174  15.25518       13.95306 
1 1 1 -19 -5  40 o 53.074  4.9575  353.923    63.104   445.570    90.511   267.243    88.025   58.953  6.4319  44.601  8.4430  14.35180       10.61387 
1 1 1 -19 -5  41 o 41.841  5.6999  223.896    56.361   185.478    86.860   251.835    74.072   36.512  9.6562  43.785  7.2241  -7.273037      12.05945 
1 1 1 -19 -5  42 o 18.013  7.0952  26.841     45.583   67.833     70.415   -2.7302    59.806   24.350  9.0022  17.412  7.5756  6.938683       11.76557 
1 1 1 -19 -5  43 o 42.735  8.2269  246.716    82.210   433.741    176.016  194.534    92.975   52.946  13.622  37.058  10.075  15.88760       16.94332 
1 1 1 -19 -5  44 o 38.790  8.5959  206.939    78.777   132.637    172.861  226.415    88.502   33.400  13.589  40.278  9.2507  -6.877087      16.43882 
1 1 1 -19 -5  45 o 24.246  9.0710  68.113     71.916   363.064    180.371  12.362     78.419   46.930  14.434  20.521  8.7994  26.40859       16.90485 
1 1 1 -19 -5  46 o 54.196  5.0626  373.373    65.803   327.888    93.095   418.789    93.024   49.082  8.0996  56.341  6.9520  -7.259590      10.67399 
1 1 1 -19 -5  47 o 30.055  7.0402  122.873    50.440   118.460    75.696   126.397    67.647   29.013  9.4083  29.929  8.7578  -0.9165344     12.85359 
1 1 1 -19 -5  48 o 34.571  6.6639  160.828    53.873   208.184    78.970   119.604    73.680   38.267  8.7017  28.974  9.2703  9.292866       12.71449 
1 1 1 -19 -5  49 o 18.762  7.1895  36.819     45.816   36.314     70.179   37.193     60.483   20.985  8.6118  20.185  8.0997  0.8000736      11.82231 
1 1 1 -19 -5  50 o 43.340  6.5129  252.004    66.373   310.678    86.751   169.169    103.075  47.256  7.8406  32.907  10.993  14.34861       13.50302 
1 1 1 -19 -5  51 o 21.130  8.1124  51.182     58.404   -9.3109    77.518   130.602    88.821   18.571  8.3231  29.479  10.198  -10.90880      13.16348 
1 1 1 -19 -5  52 o 19.300  8.1093  24.472     64.336   58.252     71.319   -123.1201  149.078  22.556  8.8779  20.815  10.017  1.740667       13.38469 
1 1 1 -19 -5  53 o 18.540  7.8979  17.093     62.431   49.725     70.457   -102.1567  134.689  21.775  8.7404  20.247  9.6852  1.527620       13.04603 
1 1 1 -19 -5  54 o 31.166  8.1149  140.482    61.970   136.773    79.200   146.338    99.514   30.065  9.6105  30.633  10.783  -0.5676250     14.44414 
1 1 1 -19 -5  55 o 12.973  6.1211  -45.9545   50.282   15.279     61.263   -172.3361  88.014   18.299  7.8102  13.957  6.9154  4.341937       10.43174 
1 1 1 -19 -5  56 o 24.596  10.485  55.184     110.176  -26.6594   307.367  67.250     118.019  29.690  14.311  25.651  10.891  4.039549       17.98380 
1 1 1 -19 -5  57 o 34.184  12.193  202.836    127.658  -101.7011  324.241  258.702    138.874  28.561  13.977  37.820  12.760  -9.258972      18.92536 
1 1 1 -19 -5  58 o 27.176  11.017  105.213    113.137  12.837     323.327  118.102    120.772  29.613  14.372  28.124  11.389  1.489187       18.33714 
1 1 1 -19 -4  1  o 76.168  3.4863  706.327    64.433   714.805    91.512   697.993    90.735   76.327  4.9683  75.417  4.9866  0.9098663      7.039175 
1 1 1 -19 -4  2  o 118.361 4.3674  1708.71    125.427  1658.98    157.651  1794.48    207.037  116.430 5.5804  120.566 7.1086  -4.136436      9.037339 
1 1 1 -19 -4  3  f 167.047 6.1814  3420.68    250.547  4255.73    385.459  2809.76    329.695  185.447 8.5663  150.246 9.0864  35.20094       12.48780 
1 1 1 -19 -4  4  o 22.999  8.7356  47.003     67.266   3.0608     101.410  81.525     89.886   23.624  10.065  28.033  10.201  -4.409525      14.33065 
1 1 1 -19 -4  5  o 62.873  4.0350  483.579    61.232   427.879    81.854   554.354    92.268   58.850  5.8081  67.073  5.7243  -8.222225      8.154807 
1 1 1 -19 -4  6  o 168.040 4.5242  3443.78    184.467  3286.38    262.210  3598.02    259.560  163.672 6.6026  171.357 6.2427  -7.685333      9.086531 
1 1 1 -19 -4  7  o 113.793 3.8769  1576.95    107.046  1523.46    151.880  1629.76    150.895  111.472 5.6335  115.479 5.3853  -4.006569      7.793456 
1 1 1 -19 -4  8  o 36.993  5.9573  171.628    51.658   116.478    74.140   223.664    72.017   30.527  9.2273  42.070  7.3209  -11.54345      11.77876 
1 1 1 -19 -4  9  o 137.286 6.1160  2307.93    203.730  2307.93    203.730  0.0000     0.0000   137.286 6.1160  ?       ?       0.000000       6.115965 
1 1 1 -19 -4  10 o 69.606  6.0985  597.629    101.959  597.629    101.959  0.0000     0.0000   69.606  6.0985  ?       ?       0.000000       6.098464 
1 1 1 -19 -4  11 o 241.908 6.5335  7174.78    383.498  7237.21    476.546  7060.05    646.031  242.274 8.1065  237.560 11.208  4.713898       13.83211 
1 1 1 -19 -4  12 o 246.123 6.7225  7431.57    401.466  7420.51    487.551  7454.87    707.539  245.281 8.1920  243.594 11.971  1.686905       14.50542 
1 1 1 -19 -4  13 o 53.694  4.4658  353.899    57.655   290.829    95.711   389.819    72.230   47.841  8.5593  56.234  5.3584  -8.393013      10.09823 
1 1 1 -19 -4  14 o 128.366 4.7500  2010.37    147.946  2247.80    190.577  1650.25    234.703  135.550 5.7944  115.313 8.4471  20.23621       10.24347 
1 1 1 -19 -4  15 o 37.013  5.7810  171.510    50.222   256.888    85.040   125.785    62.233   44.993  8.0868  31.359  8.1162  13.63459       11.45731 
1 1 1 -19 -4  16 o 113.904 5.6532  1586.81    156.243  1595.49    209.194  1575.85    234.966  113.595 7.6341  112.586 8.6678  1.008774       11.55033 
1 1 1 -19 -4  17 o 179.091 6.8048  3937.58    295.701  4533.82    399.212  3212.81    440.145  191.504 8.5914  159.699 11.434  31.80444       14.30232 
1 1 1 -19 -4  18 o 55.872  6.6157  388.213    87.947   415.247    119.759  356.569    129.571  57.279  8.9062  52.587  10.522  4.692089       13.78528 
1 1 1 -19 -4  19 o 100.050 4.0293  1219.69    97.816   1313.61    144.298  1139.84    133.050  103.440 5.7722  96.345  5.7170  7.095024       8.124244 
1 1 1 -19 -4  20 o 158.544 4.3928  3065.65    168.990  3642.99    243.018  2525.09    235.152  172.492 5.8064  143.375 6.7594  29.11665       8.910896 
1 1 1 -19 -4  21 o 110.331 8.6997  1517.03    231.010  0.0000     0.0000   1517.03    231.010  ?       ?       110.331 8.6997  0.000000       8.699738 
1 1 1 -19 -4  22 o 68.263  9.4962  590.325    153.029  0.0000     0.0000   590.325    153.029  ?       ?       68.263  9.4962  0.000000       9.496238 
1 1 1 -19 -4  23 o 63.025  5.6911  490.503    86.092   0.0000     0.0000   490.503    86.092   ?       ?       63.025  5.6911  0.000000       5.691075 
1 1 1 -19 -4  24 o 76.512  6.6143  725.308    121.587  1175.69    275.656  616.519    135.477  95.545  12.166  70.113  8.1134  25.43262       14.62353 
1 1 1 -19 -4  25 o 33.349  8.6016  143.466    70.059   306.703    144.795  93.569     80.053   48.149  12.338  28.353  9.6872  19.79606       15.68631 
1 1 1 -19 -4  26 o 21.234  8.2773  35.509     61.502   -127.0017  134.467  78.498     69.159   21.659  10.154  26.142  9.0015  -4.482824      13.56914 
1 1 1 -19 -4  27 o 50.430  4.4981  313.423    54.463   274.565    76.210   353.983    77.860   46.648  6.9448  53.284  6.1342  -6.635399      9.265992 
1 1 1 -19 -4  28 o 70.769  4.1110  614.090    70.288   599.785    99.307   628.451    99.499   69.538  5.9427  71.226  5.8079  -1.688095      8.309479 
1 1 1 -19 -4  29 o 62.185  4.1455  475.046    62.191   446.296    87.247   504.743    88.674   59.830  6.0951  63.741  5.7968  -3.911419      8.411434 
1 1 1 -19 -4  30 o 136.613 4.1970  2285.20    139.120  2311.17    198.038  2259.90    195.479  136.746 5.9686  135.225 5.9577  1.520737       8.433128 
1 1 1 -19 -4  31 o 138.139 4.2635  2339.55    142.905  2317.98    203.697  2360.46    200.538  136.736 6.1396  138.056 5.9866  -1.320114      8.575160 
1 1 1 -19 -4  32 f 116.628 4.0235  1667.33    113.861  1699.39    162.028  1636.05    160.038  117.140 5.7006  114.920 5.7394  2.219574       8.089327 
1 1 1 -19 -4  33 o 47.393  4.6776  279.252    53.088   245.485    74.487   314.114    75.684   43.650  7.2899  49.793  6.4133  -6.143177      9.709414 
1 1 1 -19 -4  34 o 43.710  4.8234  238.645    50.304   238.052    69.394   239.301    73.027   43.041  6.8760  43.028  7.2526  0.1335144E-01  9.993969 
1 1 1 -19 -4  35 o 142.521 4.3393  2503.30    150.060  2510.29    213.751  2496.51    210.716  141.559 6.2231  141.222 6.1494  0.3366852      8.748805 
1 1 1 -19 -4  36 o 79.967  4.0324  789.196    77.990   785.636    110.521  792.728    110.069  79.078  5.8005  79.460  5.7477  -0.3824997     8.165903 
1 1 1 -19 -4  37 o 78.987  5.2962  780.811    100.916  761.551    125.437  816.149    169.913  77.270  6.7583  78.523  9.0858  -1.253548      11.32370 
1 1 1 -19 -4  38 o 94.300  5.5130  1116.23    125.595  1196.65    157.445  975.515    208.266  96.859  6.7413  84.675  10.352  12.18349       12.35375 
1 1 1 -19 -4  39 o 31.883  5.9841  131.836    44.593   107.860    60.072   161.265    66.554   28.404  8.2361  34.625  8.0708  -6.220810      11.53130 
1 1 1 -19 -4  40 o 34.714  6.5548  157.625    53.188   185.484    80.099   135.653    71.135   36.768  9.0414  31.550  8.9039  5.217590       12.68959 
1 1 1 -19 -4  41 o 64.496  4.5955  519.488    71.446   545.431    103.150  495.564    99.055   65.123  6.6199  62.012  6.6891  3.111240       9.411012 
1 1 1 -19 -4  42 o 20.418  7.4173  46.755     47.489   116.005    73.532   -2.7970    62.200   29.301  9.2490  17.726  7.7190  11.57566       12.04683 
1 1 1 -19 -4  43 o 26.614  8.7921  93.078     65.989   166.900    160.031  77.955     72.434   35.065  13.437  25.347  9.1677  9.718559       16.26628 
1 1 1 -19 -4  44 o 26.039  8.7211  88.861     64.870   32.633     161.086  99.744     70.871   28.183  12.343  27.368  9.1149  0.8144226      15.34386 
1 1 1 -19 -4  45 o 16.860  6.8366  19.273     43.581   1.6407     70.359   30.250     55.513   18.900  8.2199  19.362  7.7632  -0.4626255     11.30639 
1 1 1 -19 -4  46 o 32.203  6.8260  139.436    51.681   162.541    78.301   121.601    68.794   33.736  9.2767  29.467  8.8843  4.268988       12.84477 
1 1 1 -19 -4  47 o 53.683  5.1405  368.451    66.140   347.917    96.690   386.509    90.673   50.269  8.2107  53.791  7.1223  -3.521812      10.86935 
1 1 1 -19 -4  48 o 36.446  6.4379  177.523    54.851   179.501    81.563   175.890    74.112   35.029  9.4003  35.034  8.7456  -0.4657745E-02 12.83941 
1 1 1 -19 -4  49 o 25.735  8.3067  92.186     59.060   71.720     74.965   125.675    95.894   24.185  9.2134  29.408  10.560  -5.222452      14.01417 
1 1 1 -19 -4  50 o 54.836  5.7210  393.583    75.000   367.161    97.870   431.175    116.739  51.116  8.1657  54.568  9.1402  -3.451416      12.25653 
1 1 1 -19 -4  51 o 52.811  5.8434  367.549    73.622   336.359    97.449   409.025    112.374  48.375  8.6181  53.021  9.0602  -4.645927      12.50432 
1 1 1 -19 -4  52 o 21.174  8.5431  44.615     67.688   66.847     75.135   -51.1600   155.944  23.489  9.1508  23.230  10.904  0.2588959      14.23508 
1 1 1 -19 -4  53 o 28.066  9.0407  115.956    69.985   129.438    79.559   69.834     147.148  29.325  9.6523  27.111  11.837  2.213993       15.27376 
1 1 1 -19 -4  54 o 23.566  8.3638  74.702     59.989   75.233     74.428   73.717     101.348  24.184  9.1881  25.323  10.365  -1.138584      13.85141 
1 1 1 -19 -4  55 o 27.904  8.2066  112.464    59.267   112.011    74.707   113.233    97.353   27.646  9.3585  27.981  10.537  -0.3348465     14.09305 
1 1 1 -19 -4  56 o 19.875  9.1865  -34.4972   104.092  -39.0862   303.011  -33.8832   110.837  29.271  14.133  20.478  9.4702  8.793053       17.01289 
1 1 1 -19 -4  57 o 37.783  12.364  254.368    130.613  275.625    330.087  250.422    142.220  35.103  16.272  36.876  12.896  -1.772652      20.76266 
1 1 1 -19 -4  58 o 34.474  11.860  212.041    120.051  349.429    329.912  191.072    128.887  35.606  16.421  32.625  12.156  2.981136       20.43076 
1 1 1 -19 -3  1  o 94.473  3.6829  1086.93    84.423   1132.69    119.254  1040.95    119.532  96.136  5.1309  92.103  5.3720  4.032478       7.428640 
1 1 1 -19 -3  2  o 107.241 5.5427  1410.61    143.733  1712.67    235.761  1231.92    181.329  117.432 8.3282  99.725  7.5497  17.70679       11.24085 
1 1 1 -19 -3  3  o 101.425 5.5493  1261.89    136.050  1289.90    223.570  1245.41    171.450  101.600 9.1677  100.412 7.0824  1.187164       11.58477 
1 1 1 -19 -3  4  o 124.377 7.4713  1910.56    224.431  0.0000     0.0000   1910.56    224.431  ?       ?       124.377 7.4713  0.000000       7.471297 
1 1 1 -19 -3  5  o 170.932 4.5842  3563.74    190.128  3357.25    269.488  3768.37    268.280  165.400 6.7149  175.353 6.3054  -9.953033      9.211271 
1 1 1 -19 -3  6  o 188.571 4.8451  4339.60    221.690  4033.71    314.153  4643.01    312.884  181.179 7.1461  194.554 6.6279  -13.37558      9.746625 
1 1 1 -19 -3  7  o 132.082 4.0574  2125.20    130.035  1946.70    183.109  2306.81    184.696  126.110 5.9840  137.367 5.5413  -11.25640      8.155649 
1 1 1 -19 -3  8  o 110.503 7.4002  1507.96    197.273  1507.96    197.273  0.0000     0.0000   110.503 7.4002  ?       ?       0.000000       7.400218 
1 1 1 -19 -3  9  o 127.047 5.9252  1975.16    182.656  1975.16    182.656  0.0000     0.0000   127.047 5.9252  ?       ?       0.000000       5.925228 
1 1 1 -19 -3  10 o 79.014  5.9451  768.201    113.143  768.201    113.143  0.0000     0.0000   79.014  5.9451  ?       ?       0.000000       5.945068 
1 1 1 -19 -3  11 o 103.455 4.0438  1303.70    101.510  1292.24    144.118  1314.99    143.001  102.621 5.8117  103.542 5.7140  -0.9212418     8.150236 
1 1 1 -19 -3  12 o 64.411  4.5713  508.427    70.981   684.338    127.171  428.827    85.546   74.312  7.1408  58.882  6.0748  15.42914       9.375231 
1 1 1 -19 -3  13 o 116.907 4.0983  1664.98    116.254  2054.78    172.170  1338.32    157.610  129.664 5.4724  104.346 6.2539  25.31738       8.310101 
1 1 1 -19 -3  14 f 97.666  4.0471  1161.94    95.907   1278.72    144.723  1070.50    128.066  102.065 5.8685  93.394  5.6783  8.671043       8.165937 
1 1 1 -19 -3  15 o 141.587 5.0871  2447.83    174.768  2616.12    212.973  2100.85    305.812  146.189 6.0041  129.706 9.7891  16.48291       11.48368 
1 1 1 -19 -3  16 o 195.966 7.0849  4718.14    336.885  5138.86    457.119  4217.98    498.409  203.619 9.2522  183.232 11.265  20.38715       14.57749 
1 1 1 -19 -3  17 o 176.163 6.8032  3809.63    290.796  4474.32    392.419  3000.06    433.077  190.289 8.4991  154.194 11.662  36.09445       14.43003 
1 1 1 -19 -3  18 o 124.437 5.9146  1895.74    178.582  2175.83    239.176  1542.87    268.458  132.761 7.4550  110.888 10.088  21.87231       12.54363 
1 1 1 -19 -3  19 o 99.192  4.0467  1198.88    97.396   1318.21    144.038  1098.35    132.201  103.627 5.7511  94.554  5.7901  9.072182       8.160884 
1 1 1 -19 -3  20 o 87.279  5.3839  934.965    113.460  0.0000     0.0000   934.965    113.460  ?       ?       87.279  5.3839  0.000000       5.383861 
1 1 1 -19 -3  21 o 70.680  9.2242  630.274    154.423  0.0000     0.0000   630.274    154.423  ?       ?       70.680  9.2242  0.000000       9.224216 
1 1 1 -19 -3  22 o 77.033  5.5400  730.049    102.859  0.0000     0.0000   730.049    102.859  ?       ?       77.033  5.5400  0.000000       5.540013 
1 1 1 -19 -3  23 o 40.113  5.8774  201.319    55.508   155.657    100.004  221.650    66.731   35.088  10.740  41.935  6.7903  -6.847187      12.70686 
1 1 1 -19 -3  24 o 20.582  8.0394  32.508     58.109   254.115    135.131  -17.7661   64.363   44.019  12.219  17.537  7.7372  26.48218       14.46281 
1 1 1 -19 -3  25 o 102.209 5.7808  1285.96    142.777  1522.03    242.400  1160.55    176.678  110.077 9.1587  96.566  7.6018  13.51111       11.90248 
1 1 1 -19 -3  26 o 115.170 5.9802  1634.83    166.542  1666.07    280.288  1617.78    207.056  114.595 10.187  114.048 7.5246  0.5468979      12.66438 
1 1 1 -19 -3  27 o 92.876  3.9236  1053.07    88.422   1099.27    126.056  1008.32    124.062  94.448  5.5246  90.401  5.6848  4.046570       7.927092 
1 1 1 -19 -3  28 o 149.289 4.3011  2726.21    155.801  2786.20    222.341  2668.33    218.383  150.303 6.0966  147.081 6.1193  3.222595       8.637935 
1 1 1 -19 -3  29 o 97.448  3.8995  1160.68    92.204   1116.30    131.693  1203.35    129.137  94.992  5.7406  98.743  5.4105  -3.751831      7.888468 
1 1 1 -19 -3  30 o 48.670  4.5799  293.124    53.449   328.397    77.023   260.363    74.230   51.106  6.3481  45.244  6.9866  5.861565       9.439860 
1 1 1 -19 -3  31 o 72.568  4.0142  646.969    70.407   637.171    99.403   656.834    99.738   71.540  5.7757  72.665  5.7026  -1.124878      8.116540 
1 1 1 -19 -3  32 o 61.104  4.1483  460.157    61.139   481.509    86.563   438.902    86.366   62.056  5.8168  59.133  6.1073  2.923405       8.434089 
1 1 1 -19 -3  33 o 71.302  4.0511  626.072    69.798   681.433    100.414  574.318    97.088   73.895  5.6430  67.690  5.9725  6.205620       8.216694 
1 1 1 -19 -3  34 o 128.075 4.1541  2017.32    129.094  1987.42    184.037  2046.28    181.130  126.192 6.0105  128.156 5.8249  -1.963669      8.369892 
1 1 1 -19 -3  35 o 18.294  6.5802  36.297     37.250   57.347     52.204   14.462     53.167   22.239  7.8113  17.999  7.4521  4.239595       10.79585 
1 1 1 -19 -3  36 o 37.431  7.0746  182.976    61.899   162.326    73.883   231.596    113.368  34.708  8.7697  40.670  11.154  -5.962357      14.18847 
1 1 1 -19 -3  37 o 104.076 5.4796  1356.81    137.890  1249.39    173.536  1540.81    227.111  98.667  7.3004  108.404 8.7078  -9.737076      11.36318 
1 1 1 -19 -3  38 o 67.220  5.5435  569.362    89.609   642.846    108.938  415.614    157.577  71.031  6.3891  53.533  12.378  17.49868       13.93004 
1 1 1 -19 -3  39 o 56.955  4.2561  403.491    58.393   374.536    82.835   432.094    82.329   54.011  6.4482  58.309  5.9003  -4.297909      8.740243 
1 1 1 -19 -3  40 o 12.615  5.8946  -39.7390   44.692   62.514     74.188   -97.9837   55.992   24.197  9.1780  12.014  5.8640  12.18322       10.89141 
1 1 1 -19 -3  41 o 16.747  6.8113  17.226     43.413   -24.1796   75.092   38.013     53.205   18.151  8.1591  20.035  7.7295  -1.884491      11.23906 
1 1 1 -19 -3  42 o 95.294  7.3872  1181.70    169.475  0.0000     0.0000   1181.70    169.475  ?       ?       95.294  7.3872  0.000000       7.387201 
1 1 1 -19 -3  43 o 27.913  8.7965  105.033    66.535   11.255     173.607  121.178    72.035   28.232  12.568  29.734  9.1179  -1.502186      15.52734 
1 1 1 -19 -3  44 o 73.014  6.4482  688.861    113.063  695.032    222.139  686.703    131.349  66.184  14.254  72.040  7.6305  -5.855675      16.16785 
1 1 1 -19 -3  45 o 14.382  6.3753  -9.9559    44.202   -24.5649   74.876   -2.1414    54.763   17.892  8.0853  16.594  7.2340  1.297834       10.84910 
1 1 1 -19 -3  46 o 11.597  5.4566  -38.2278   39.446   -41.4913   66.329   -36.4420   49.066   15.828  7.3219  13.448  6.2477  2.379659       9.625119 
1 1 1 -19 -3  47 f 25.793  7.6899  91.377     51.754   101.632    79.972   83.987     67.887   27.317  9.6609  25.241  8.9038  2.076197       13.13815 
1 1 1 -19 -3  48 f 13.528  6.1271  -18.0333   43.279   33.189     69.068   -51.1489   55.535   20.675  8.5207  13.662  6.4421  7.012982       10.68193 
1 1 1 -19 -3  49 o 30.553  8.4427  134.338    64.670   67.864     82.368   241.173    104.421  24.211  9.5372  39.444  10.658  -15.23292      14.30200 
1 1 1 -19 -3  50 o 46.984  6.3232  294.854    70.255   302.154    92.754   285.029    107.604  45.848  8.6551  42.964  10.427  2.883739       13.55135 
1 1 1 -19 -3  51 o 27.774  9.1283  112.875    71.165   68.554     78.883   306.698    164.961  23.852  9.3531  40.440  13.903  -16.58781      16.75660 
1 1 1 -19 -3  52 o 22.490  8.7970  58.747     69.650   48.358     77.214   104.117    161.355  22.160  9.0563  29.121  12.556  -6.961218      15.48151 
1 1 1 -19 -3  53 o 25.407  8.6723  91.065     64.158   118.128    81.923   48.141     103.176  28.237  9.7927  23.855  10.157  4.381516       14.10922 
1 1 1 -19 -3  54 o 35.421  8.0947  179.979    68.050   179.746    88.068   180.323    107.203  34.116  9.9955  33.424  11.211  0.6917152      15.01999 
1 1 1 -19 -3  55 o 17.198  8.2593  -101.0719  100.155  82.326     295.359  -124.9000  106.463  31.594  14.885  17.137  8.3001  14.45725       17.04300 
1 1 1 -19 -3  56 o 32.912  11.726  181.147    118.027  487.317    295.637  123.095    128.731  42.428  17.570  29.019  11.756  13.40910       21.14006 
1 1 1 -19 -3  57 o 20.229  9.3274  -25.1187   106.352  -12.7905   245.534  -27.9658   117.995  27.512  13.137  21.030  9.7413  6.482124       16.35459 
1 1 1 -19 -2  1  o 198.844 7.0036  4861.25    337.909  4930.70    505.574  4805.19    454.281  198.349 10.543  196.591 9.5235  1.757996       14.20727 
1 1 1 -19 -2  2  o 122.440 5.7148  1834.60    169.780  2014.46    271.942  1719.71    217.342  127.245 8.8632  117.911 7.6377  9.334175       11.70006 
1 1 1 -19 -2  3  o 28.472  8.2413  102.233    60.194   67.012     128.588  112.117    68.119   30.068  11.893  29.849  8.8037  0.2183933      14.79717 
1 1 1 -19 -2  4  o 75.354  3.8512  693.284    70.181   633.893    97.184   758.010    101.455  71.779  5.6250  78.579  5.3530  -6.799507      7.765018 
1 1 1 -19 -2  5  o 77.026  4.0207  724.662    74.885   687.745    100.479  770.787    112.314  74.797  5.5765  79.150  5.8903  -4.352936      8.111294 
1 1 1 -19 -2  6  o 174.067 4.6512  3695.70    196.449  3418.88    277.000  3975.83    278.649  166.903 6.8399  180.120 6.3757  -13.21779      9.350661 
1 1 1 -19 -2  7  o 196.152 7.2229  4727.93    343.772  4727.93    343.772  0.0000     0.0000   196.152 7.2229  ?       ?       0.000000       7.222920 
1 1 1 -19 -2  8  o 168.952 6.5806  3499.79    269.769  3499.79    269.769  0.0000     0.0000   168.952 6.5806  ?       ?       0.000000       6.580593 
1 1 1 -19 -2  9  o 155.773 6.5262  2974.48    246.672  2974.48    246.672  0.0000     0.0000   155.773 6.5262  ?       ?       0.000000       6.526232 
1 1 1 -19 -2  10 o 191.295 4.9030  4465.56    227.579  4485.47    323.157  4445.97    320.550  191.155 6.9673  190.319 6.9414  0.8353729      9.834969 
1 1 1 -19 -2  11 o 183.399 4.7829  4103.36    212.840  4684.35    305.076  3552.42    297.087  195.515 6.4308  170.047 7.2003  25.46811       9.653961 
1 1 1 -19 -2  12 o 148.378 4.8681  2686.47    175.264  3303.18    296.040  2353.66    217.471  163.901 7.4440  138.579 6.4675  25.32133       9.861124 
1 1 1 -19 -2  13 o 160.871 4.4550  3154.99    173.896  3476.76    250.597  2856.15    241.508  168.511 6.1289  152.641 6.5207  15.87062       8.948930 
1 1 1 -19 -2  14 o 187.674 4.8607  4298.04    221.344  4939.09    317.966  3695.33    308.312  200.717 6.5288  173.380 7.3287  27.33632       9.815052 
1 1 1 -19 -2  15 o 176.793 6.8298  3836.04    292.980  4495.08    396.431  3042.87    434.911  190.751 8.5652  155.388 11.619  35.36346       14.43489 
1 1 1 -19 -2  16 o 81.584  6.0206  819.197    118.341  970.800    160.851  640.310    174.727  88.508  7.5625  70.982  10.458  17.52657       12.90611 
1 1 1 -19 -2  17 o 75.266  6.0772  698.164    110.040  892.013    149.726  470.477    162.269  84.858  7.3442  60.342  11.503  24.51635       13.64739 
1 1 1 -19 -2  18 o 17.431  7.0392  16.478     46.000   109.952    90.957   -15.6442   53.321   30.613  10.327  15.950  7.0396  14.66217       12.49771 
1 1 1 -19 -2  19 o 112.496 4.5588  1543.89    124.438  1849.72    212.243  1383.69    153.609  122.436 7.1757  106.123 5.9899  16.31250       9.347149 
1 1 1 -19 -2  20 o 174.814 9.9983  3820.80    422.340  0.0000     0.0000   3820.80    422.340  ?       ?       174.814 9.9983  0.000000       9.998343 
1 1 1 -19 -2  21 o 50.879  6.1315  321.841    74.170   0.0000     0.0000   321.841    74.170   ?       ?       50.879  6.1315  0.000000       6.131501 
1 1 1 -19 -2  22 o 140.832 5.2177  2425.67    178.297  3162.78    380.396  2218.13    201.842  158.878 9.9170  134.455 6.1869  24.42381       11.68868 
1 1 1 -19 -2  23 o 60.970  6.3166  461.289    92.091   523.774    178.707  438.696    107.458  63.354  12.066  59.128  7.6707  4.226425       14.29772 
1 1 1 -19 -2  24 o 57.789  6.3765  415.354    87.922   241.183    167.503  481.592    103.297  43.442  13.986  62.138  6.9714  -18.69611      15.62697 
1 1 1 -19 -2  25 o 121.276 5.7469  1805.17    169.111  2702.57    280.415  1292.23    212.002  147.454 7.8660  101.519 8.6903  45.93506       11.72159 
1 1 1 -19 -2  26 o 44.591  4.8265  246.142    51.387   213.229    74.261   276.383    71.181   40.814  7.7828  46.948  6.4166  -6.133812      10.08685 
1 1 1 -19 -2  27 o 62.716  4.1588  482.717    62.927   518.714    91.912   450.955    86.335   64.654  5.9248  60.232  5.9867  4.421341       8.422776 
1 1 1 -19 -2  28 o 57.714  4.1606  409.395    57.873   409.194    83.042   409.585    80.697   57.288  6.0664  57.362  5.8810  -0.7434082E-01 8.449139 
1 1 1 -19 -2  29 o 17.813  6.6426  30.381     38.503   18.376     55.375   41.618     53.574   18.831  7.6796  20.853  7.8237  -2.021982      10.96298 
1 1 1 -19 -2  30 o 55.105  4.2868  374.380    56.867   424.211    80.600   324.986    80.246   58.320  5.7715  50.721  6.6831  7.599342       8.830326 
1 1 1 -19 -2  31 o 51.902  4.4364  333.122    55.333   327.861    79.395   338.091    77.158   50.918  6.5801  51.814  6.2644  -0.8959961     9.085169 
1 1 1 -19 -2  32 o 101.753 3.9706  1269.67    98.031   1304.10    139.402  1235.98    137.884  102.428 5.6306  99.669  5.7255  2.759384       8.030303 
1 1 1 -19 -2  33 o 139.513 4.2755  2393.84    144.734  2284.90    205.783  2500.48    203.603  135.250 6.2706  141.707 5.9214  -6.457016      8.624585 
1 1 1 -19 -2  34 o 60.297  4.1436  449.318    60.255   369.384    85.840   526.960    84.600   53.822  6.7194  64.918  5.4204  -11.09601      8.633099 
1 1 1 -19 -2  35 o 76.042  3.9928  713.332    73.413   788.330    105.320  642.455    102.385  79.372  5.5026  71.425  5.9623  7.947769       8.113386 
1 1 1 -19 -2  36 o 40.426  6.6384  211.287    62.856   192.110    74.132   260.335    118.556  37.917  8.2888  43.004  11.237  -5.086948      13.96365 
1 1 1 -19 -2  37 o 15.440  6.6286  0.4004     44.600   -18.2697   50.626   65.117     94.255   15.032  6.7324  26.020  10.217  -10.98789      12.23593 
1 1 1 -19 -2  38 o 39.418  5.2975  197.295    49.385   266.980    73.007   138.509    67.055   45.356  6.8470  31.995  8.4951  13.36118       10.91090 
1 1 1 -19 -2  39 o 71.867  4.4072  642.395    76.481   694.982    111.572  595.782    105.045  73.846  6.2867  68.269  6.4167  5.576836       8.983148 
1 1 1 -19 -2  40 o 54.938  4.8332  378.657    63.772   332.975    94.804   416.409    86.184   50.048  8.0823  56.980  6.3412  -6.932186      10.27303 
1 1 1 -19 -2  41 o 45.905  5.3986  267.806    58.983   297.768    88.887   244.233    78.844   47.228  8.0450  42.753  7.8911  4.475193       11.26900 
1 1 1 -19 -2  42 o 8.9342  4.5000  -137.9373  44.910   62.514     152.947  -156.8504  46.980   29.264  12.410  8.8446  4.4715  20.41943       13.19141 
1 1 1 -19 -2  43 o 31.623  9.1722  139.062    74.492   159.847    179.260  134.724    81.899   34.955  13.973  31.126  9.7516  3.829231       17.03949 
1 1 1 -19 -2  44 o 32.233  6.8967  139.082    52.309   223.628    81.555   79.991     68.180   40.213  8.6176  25.168  8.9182  15.04501       12.40149 
1 1 1 -19 -2  45 o 14.081  6.3339  -16.5628   45.342   76.897     76.718   -66.7338   56.209   25.178  9.3789  13.159  6.2842  12.01860       11.28958 
1 1 1 -19 -2  46 o 28.607  7.3319  112.243    51.127   162.010    78.857   76.153     67.154   33.523  9.3446  24.499  8.8325  9.024546       12.85825 
1 1 1 -19 -2  47 o 50.886  5.1117  331.976    62.261   414.667    92.306   262.951    84.334   55.710  6.9820  43.384  8.3141  12.32618       10.85695 
1 1 1 -19 -2  48 o 19.228  7.3984  38.754     48.642   41.790     78.025   36.824     62.211   22.036  9.0660  20.302  8.1905  1.734352       12.21787 
1 1 1 -19 -2  49 o 25.196  8.3250  88.293     59.163   93.906     79.203   81.208     88.987   26.197  9.5695  25.504  9.9525  0.6930523      13.80680 
1 1 1 -19 -2  50 f 48.125  6.3128  309.476    71.937   321.001    94.040   293.219    111.690  47.371  8.4936  43.269  10.699  4.101788       13.66018 
1 1 1 -19 -2  51 o 15.744  7.2755  -34.5988   65.245   -67.3921   71.823   120.245    156.069  15.138  7.1934  29.766  12.575  -14.62836      14.48708 
1 1 1 -19 -2  52 o 20.164  8.4220  30.486     68.767   5.5428     76.006   143.047    161.460  19.202  8.4424  30.929  12.911  -11.72740      15.42596 
1 1 1 -19 -2  53 o 23.317  8.3289  72.452     59.582   55.307     74.450   102.994    99.368   22.525  9.0047  27.273  10.552  -4.747854      13.87168 
1 1 1 -19 -2  54 o 35.319  7.6449  176.188    63.615   128.193    81.073   253.078    102.616  29.226  9.7496  40.235  10.426  -11.00890      14.27445 
1 1 1 -19 -2  55 o 28.788  11.030  122.959    107.832  123.312    199.234  122.812    128.237  30.681  13.571  29.141  11.758  1.539829       17.95628 
1 1 1 -19 -2  56 o 16.922  8.1147  -92.3086   95.864   -75.3589   179.318  -99.0914   113.434  23.639  11.271  18.406  8.8263  5.233355       14.31547 
1 1 1 -19 -2  57 o 28.137  11.070  121.911    110.852  -52.4874   224.750  177.976    127.430  25.759  12.372  31.864  12.043  -6.104893      17.26498 
1 1 1 -19 -1  1  o 104.451 5.4243  1337.56    137.000  1535.57    218.700  1209.67    175.760  111.233 8.1600  98.872  7.3794  12.36089       11.00192 
1 1 1 -19 -1  2  o 75.035  5.5882  692.346    101.012  593.179    172.057  744.505    124.780  68.146  10.763  77.606  6.6919  -9.460548      12.67376 
1 1 1 -19 -1  3  o 241.561 5.5091  7134.29    322.901  6899.80    457.332  7367.39    455.971  236.563 7.9675  244.585 7.6832  -8.021637      11.06853 
1 1 1 -19 -1  4  o 232.544 5.4212  6609.18    305.886  5994.33    432.891  7222.31    432.287  220.470 8.0922  242.344 7.3515  -21.87489      10.93287 
1 1 1 -19 -1  5  o 73.222  3.9537  654.862    69.983   668.907    96.119   639.016    102.094  73.792  5.4059  72.030  5.8930  1.761559       7.996963 
1 1 1 -19 -1  6  o 136.359 6.1199  2276.63    202.486  2276.63    202.486  0.0000     0.0000   136.359 6.1199  ?       ?       0.000000       6.119902 
1 1 1 -19 -1  7  o 137.102 6.1100  2301.27    203.260  2301.27    203.260  0.0000     0.0000   137.102 6.1100  ?       ?       0.000000       6.110023 
1 1 1 -19 -1  8  o 125.525 5.9925  1928.29    182.515  1928.29    182.515  0.0000     0.0000   125.525 5.9925  ?       ?       0.000000       5.992454 
1 1 1 -19 -1  9  o 103.467 4.0378  1303.93    101.370  1250.09    142.525  1359.04    144.206  100.927 5.8450  105.282 5.6659  -4.355080      8.140413 
1 1 1 -19 -1  10 o 234.574 5.5651  6725.75    316.749  7263.96    450.406  6199.12    445.534  242.979 7.6396  224.232 8.1888  18.74760       11.19910 
1 1 1 -19 -1  11 o 95.444  3.9376  1109.32    91.189   1163.89    135.270  1063.87    123.458  97.391  5.7498  93.145  5.4868  4.245476       7.947609 
1 1 1 -19 -1  12 f 116.187 4.0668  1644.35    114.649  1823.51    166.880  1484.20    157.778  122.128 5.6315  109.979 5.9345  12.14912       8.181192 
1 1 1 -19 -1  13 o 132.252 4.1620  2130.97    133.557  2452.15    193.880  1840.92    184.246  141.619 5.6422  122.450 6.2216  19.16834       8.398979 
1 1 1 -19 -1  14 o 130.268 6.0173  2077.18    190.195  2353.11    254.042  1725.25    286.899  138.084 7.6117  117.353 10.176  20.73078       12.70805 
1 1 1 -19 -1  15 o 74.243  6.2987  680.030    112.397  926.308    153.324  393.951    165.250  86.493  7.3763  54.865  12.669  31.62868       14.66015 
1 1 1 -19 -1  16 o 245.446 8.4956  7442.16    505.956  8906.13    693.298  5774.10    740.047  267.106 10.697  212.208 14.459  54.89789       17.98566 
1 1 1 -19 -1  17 o 229.301 6.3415  6444.90    352.828  8358.14    598.562  5426.14    436.776  259.477 9.5071  209.505 8.5921  49.97151       12.81441 
1 1 1 -19 -1  18 o 209.481 6.1718  5377.08    313.705  5230.10    445.660  5521.44    441.658  205.485 8.9384  211.285 8.6150  -5.799942      12.41422 
1 1 1 -19 -1  19 o 82.982  5.4596  845.672    109.315  0.0000     0.0000   845.672    109.315  ?       ?       82.982  5.4596  0.000000       5.459643 
1 1 1 -19 -1  20 f 248.643 8.3551  7645.95    504.070  0.0000     0.0000   7645.95    504.070  ?       ?       248.643 8.3551  0.000000       8.355087 
1 1 1 -19 -1  21 f 95.073  5.1447  1108.11    118.240  1200.83    251.948  1081.92    133.901  97.310  10.856  93.782  5.9147  3.527664       12.36238 
1 1 1 -19 -1  22 o 193.673 5.0189  4585.22    235.854  5117.62    337.744  4078.49    329.504  203.956 6.8247  181.827 7.4686  22.12907       10.11716 
1 1 1 -19 -1  23 o 138.422 6.2053  2353.04    208.416  2461.02    327.668  2279.67    270.095  140.041 9.7029  135.382 8.2618  4.659225       12.74379 
1 1 1 -19 -1  24 o 137.908 6.1469  2336.82    205.687  2434.27    327.607  2273.41    264.264  139.116 9.7673  135.175 8.0943  3.940872       12.68536 
1 1 1 -19 -1  25 o 156.538 6.3805  3016.90    242.349  3136.95    383.177  2936.86    312.877  157.632 10.071  153.398 8.4385  4.233826       13.13888 
1 1 1 -19 -1  26 f 157.461 4.4149  3031.30    168.676  3306.62    240.441  2764.50    236.690  163.906 6.0458  149.695 6.5164  14.21045       8.889026 
1 1 1 -19 -1  27 o 125.088 4.0945  1912.19    124.275  2013.77    177.498  1814.50    174.055  127.927 5.7183  121.374 5.9101  6.552505       8.223646 
1 1 1 -19 -1  28 o 80.718  3.9190  796.275    76.755   865.023    110.095  731.259    107.065  83.674  5.4524  76.814  5.7869  6.859993       7.950911 
1 1 1 -19 -1  29 o 67.779  4.0273  564.080    65.936   539.714    93.976   587.704    92.535   65.830  5.9477  68.816  5.5901  -2.986404      8.162364 
1 1 1 -19 -1  30 o 48.064  4.4402  285.828    51.198   295.688    74.272   276.902    70.671   48.376  6.4912  46.818  6.3878  1.558243       9.107155 
1 1 1 -19 -1  31 o 100.305 3.9407  1232.90    95.909   1242.95    136.975  1223.24    134.335  100.033 5.6666  99.261  5.6004  0.7718582      7.967135 
1 1 1 -19 -1  32 o 85.989  3.9365  906.966    82.132   938.857    117.422  876.418    114.924  86.835  5.6030  83.855  5.6818  2.979492       7.979720 
1 1 1 -19 -1  33 o 102.382 4.0055  1287.62    99.506   1333.14    141.628  1243.25    139.834  103.394 5.6669  99.772  5.8012  3.621750       8.109736 
1 1 1 -19 -1  34 o 37.688  5.3075  179.624    47.190   253.758    66.207   103.070    67.279   44.597  6.2933  28.186  8.8399  16.41128       10.85120 
1 1 1 -19 -1  35 o 51.005  6.1875  330.916    75.008   393.496    90.817   196.620    133.041  55.380  6.9088  37.689  12.485  17.69045       14.26950 
1 1 1 -19 -1  36 o 47.066  6.1799  283.000    68.869   257.220    81.758   345.984    127.789  44.144  7.9241  49.814  10.877  -5.670147      13.45760 
1 1 1 -19 -1  37 o 56.158  5.7563  399.480    77.328   351.972    92.452   510.115    141.085  51.894  7.5649  61.299  9.8168  -9.405457      12.39346 
1 1 1 -19 -1  38 o 23.655  6.6172  73.268     39.470   31.128     55.010   117.982    56.664   19.614  7.7724  29.678  7.7756  -10.06413      10.99408 
1 1 1 -19 -1  39 o 38.644  6.1443  192.898    55.685   219.788    83.422   171.289    74.784   40.183  8.7998  35.420  8.7522  4.762463       12.41120 
1 1 1 -19 -1  40 o 51.221  5.1225  331.011    62.811   392.744    92.795   278.810    85.330   54.910  7.1333  45.739  7.9788  9.170620       10.70254 
1 1 1 -19 -1  41 o 72.884  4.5764  663.410    80.521   641.803    118.093  682.184    110.078  70.357  7.0109  73.013  6.2744  -2.655945      9.408572 
1 1 1 -19 -1  42 o 53.170  7.0357  369.976    88.540   564.308    188.411  314.898    100.305  61.023  13.115  47.944  8.9516  13.07894       15.87897 
1 1 1 -19 -1  43 o 62.876  6.8973  516.108    103.500  557.505    216.362  503.824    117.860  58.020  15.190  61.308  8.1229  -3.288506      17.22574 
1 1 1 -19 -1  44 o 47.193  5.3554  284.940    60.239   266.546    90.378   299.645    80.805   43.808  8.8078  47.445  7.2492  -3.637268      11.40736 
1 1 1 -19 -1  45 o 52.918  5.2842  358.181    66.942   479.495    101.410  264.496    89.117   60.144  7.0849  43.497  8.7469  16.64718       11.25632 
1 1 1 -19 -1  46 o 18.674  7.2347  34.269     46.762   -9.0997    78.249   58.361     58.322   18.974  8.4430  22.163  8.1929  -3.188751      11.76471 
1 1 1 -19 -1  47 o 47.285  5.6125  290.664    63.137   363.957    96.341   235.491    83.588   51.363  7.9900  40.647  8.7354  10.71644       11.83841 
1 1 1 -19 -1  48 o 49.199  6.1076  319.525    71.342   352.956    95.626   277.559    107.139  50.288  8.1132  42.641  10.439  7.646137       13.22111 
1 1 1 -19 -1  49 o 13.124  6.2392  -56.3852   54.138   -15.9294   68.498   -123.7165  88.368   17.208  7.7585  15.311  7.4498  1.896489       10.75614 
1 1 1 -19 -1  50 o 18.253  7.6135  21.740     56.088   -12.8281   72.181   74.420     89.108   17.764  7.9910  24.827  9.8751  -7.062811      12.70331 
1 1 1 -19 -1  51 o 56.285  7.1421  433.433    95.345   490.770    110.559  267.052    188.334  59.224  7.8900  37.137  14.482  22.08729       16.49212 
1 1 1 -19 -1  52 o 36.588  8.3225  193.524    72.219   87.621     96.535   328.128    108.832  26.055  10.305  46.488  9.9488  -20.43392      14.32405 
1 1 1 -19 -1  53 o 54.400  5.7040  388.620    74.171   423.601    95.532   335.531    117.688  55.574  7.2579  46.337  10.686  9.236805       12.91754 
1 1 1 -19 -1  54 o 14.932  7.1855  -89.5657   76.719   -245.6483  172.952  -51.3305   85.601   19.961  9.8541  17.422  8.1463  2.538832       12.78540 
1 1 1 -19 -1  55 f 31.406  11.411  159.621    112.400  265.834    225.016  124.307    129.747  36.029  15.153  29.146  11.804  6.882511       19.20828 
1 1 1 -19 -1  56 o 16.104  7.8408  -126.8577  98.337   -342.4864  217.070  -71.1778   110.305  20.842  10.412  18.920  8.9686  1.921535       13.74227 
1 1 1 -19 0   1  o 194.762 6.8611  4659.14    324.234  4935.67    485.845  4437.09    435.369  198.802 10.105  188.765 9.5363  10.03717       13.89447 
1 1 1 -19 0   2  o 263.345 5.8416  8487.79    373.271  7550.88    526.865  9431.99    528.910  247.026 8.7901  276.619 7.8802  -29.59227      11.80518 
1 1 1 -19 0   3  o 68.728  4.0042  577.323    66.486   495.922    92.627   663.831    95.489   63.352  6.1012  73.508  5.3913  -10.15522      8.141893 
1 1 1 -19 0   4  o 165.581 4.5484  3343.44    182.739  3132.89    257.470  3557.17    259.405  159.819 6.6395  170.397 6.2741  -10.57785      9.134967 
1 1 1 -19 0   5  o 250.752 8.5660  7766.45    521.182  7766.45    521.182  0.0000     0.0000   250.752 8.5660  ?       ?       0.000000       8.566050 
1 1 1 -19 0   6  o 112.367 5.7341  1548.09    155.819  1548.09    155.819  0.0000     0.0000   112.367 5.7341  ?       ?       0.000000       5.734078 
1 1 1 -19 0   7  o 31.998  9.0166  130.140    73.005   130.140    73.005   0.0000     0.0000   31.998  9.0166  ?       ?       0.000000       9.016641 
1 1 1 -19 0   8  o 17.560  7.3299  7.7071     52.044   -1.3682    67.172   21.337     82.320   19.093  8.1642  22.631  9.3117  -3.538689      12.38396 
1 1 1 -19 0   9  o 107.351 4.0612  1403.72    105.785  1725.40    154.733  1121.42    144.951  118.842 5.3660  95.485  6.2916  23.35674       8.269116 
1 1 1 -19 0   10 o 107.155 4.1124  1398.73    106.923  1720.80    156.426  1116.31    146.486  118.673 5.4324  95.249  6.3751  23.42419       8.375757 
1 1 1 -19 0   11 o 21.650  6.9328  56.230     41.201   156.300    72.625   8.7389     50.031   34.901  8.6256  17.338  7.2078  17.56272       11.24067 
1 1 1 -19 0   12 o 26.654  6.6625  90.514     42.971   90.702     74.594   90.420     52.569   27.862  9.3518  26.794  7.6860  1.067337       12.10503 
1 1 1 -19 0   13 o 116.082 4.8280  1644.13    135.985  1610.86    163.675  1718.29    244.343  114.591 5.9067  117.644 8.6199  -3.052681      10.44948 
1 1 1 -19 0   14 o 243.135 8.2549  7292.83    486.994  8191.22    664.987  6253.71    715.174  256.238 10.696  221.851 13.348  34.38663       17.10445 
1 1 1 -19 0   15 o 175.412 6.9878  3778.62    297.415  4813.93    401.370  2517.92    442.909  197.469 8.3769  140.522 13.143  56.94705       15.58522 
1 1 1 -19 0   16 o 73.500  6.2001  666.361    109.540  788.326    147.595  516.804    163.440  79.648  7.7347  63.464  11.013  16.18400       13.45790 
1 1 1 -19 0   17 o 259.746 6.7705  8282.50    426.710  9534.15    723.023  7613.53    528.580  276.197 10.789  248.043 8.7825  28.15370       13.91148 
1 1 1 -19 0   18 o 167.479 6.4172  3440.12    260.778  0.0000     0.0000   3440.12    260.778  ?       ?       167.479 6.4172  0.000000       6.417210 
1 1 1 -19 0   19 f 226.901 11.509  6486.48    631.567  0.0000     0.0000   6486.48    631.567  ?       ?       226.901 11.509  0.000000       11.50914 
1 1 1 -19 0   20 o 60.070  6.8017  448.918    97.390   0.0000     0.0000   448.918    97.390   ?       ?       60.070  6.8017  0.000000       6.801650 
1 1 1 -19 0   21 o 22.878  7.9278  58.547     53.686   -9.9598    83.705   106.421    69.973   20.721  8.9887  29.238  8.9899  -8.517326      12.71281 
1 1 1 -19 0   22 o 140.083 6.3395  2410.23    215.478  2280.81    339.704  2497.36    278.727  134.481 10.494  141.815 8.1342  -7.334015      13.27712 
1 1 1 -19 0   23 o 47.639  8.5419  289.839    95.111   149.533    158.059  369.480    119.083  36.993  13.518  53.672  9.4912  -16.67975      16.51695 
1 1 1 -19 0   24 o 33.630  9.9103  144.568    86.353   225.532    144.925  100.001    107.524  41.784  12.953  30.619  11.155  11.16578       17.09421 
1 1 1 -19 0   25 o 80.360  4.2680  791.022    82.921   780.820    115.062  802.045    119.604  79.466  6.0119  80.504  6.1700  -1.038445      8.614631 
1 1 1 -19 0   26 o 7.9206  3.9794  -101.9775  33.946   -87.9363   40.984   -132.6627  60.586   9.8023  4.8312  11.809  5.8302  -2.006577      7.571736 
1 1 1 -19 0   27 o 45.244  5.0975  254.347    54.985   223.249    74.937   290.616    80.930   41.727  7.6846  47.891  7.1863  -6.163937      10.52117 
1 1 1 -19 0   28 o 13.148  5.9582  -22.5762   40.990   -27.5094   53.293   -15.4305   64.140   15.066  6.8135  17.555  7.7355  -2.488525      10.30835 
1 1 1 -19 0   29 o 44.957  4.8842  251.252    52.421   243.928    71.754   259.636    76.769   43.748  6.9953  45.085  7.2644  -1.337109      10.08488 
1 1 1 -19 0   30 o 43.857  4.9315  239.679    51.569   232.743    70.762   247.535    75.310   42.630  7.0901  43.920  7.3249  -1.290531      10.19426 
1 1 1 -19 0   31 o 67.067  4.1681  554.172    67.493   634.234    96.705   478.137    94.241   71.332  5.6331  61.627  6.3955  9.705593       8.522598 
1 1 1 -19 0   32 o 183.846 4.7971  4170.90    213.992  4306.37    304.303  4038.37    300.985  185.266 6.7693  179.276 6.9192  5.989960       9.679854 
1 1 1 -19 0   33 o 33.667  5.6823  144.678    44.767   59.052     65.522   219.644    61.308   23.506  8.6850  41.465  6.2911  -17.95913      10.72411 
1 1 1 -19 0   34 o 38.470  5.2247  186.968    47.508   273.247    66.850   98.927     67.529   46.348  6.0920  27.702  8.8761  18.64567       10.76560 
1 1 1 -19 0   35 o 12.108  5.7368  -51.0704   45.030   -73.1552   52.249   12.690     88.779   12.383  5.9519  22.073  9.4109  -9.689997      11.13510 
1 1 1 -19 0   36 o 99.239  5.6151  1236.50    134.653  1330.67    168.383  1069.45    224.263  102.144 6.8333  88.520  10.655  13.62363       12.65816 
1 1 1 -19 0   37 o 21.788  6.8668  60.310     40.544   -10.7662   59.334   122.563    55.529   16.865  7.4354  30.300  7.5736  -13.43541      10.61346 
1 1 1 -19 0   38 o 20.881  7.4116  50.420     47.109   31.553     79.726   60.542     58.393   22.244  9.1594  22.873  8.2374  -0.6296730     12.31868 
1 1 1 -19 0   39 o 14.163  6.3247  -14.7410   44.335   83.293     77.856   -61.7869   53.934   26.288  9.5052  13.124  6.2358  13.16387       11.36812 
1 1 1 -19 0   40 o 62.483  4.6959  488.642    70.673   522.753    103.842  459.209    96.460   63.583  6.8383  59.580  6.7939  4.003651       9.639463 
1 1 1 -19 0   41 f 22.500  8.9168  45.606     72.405   155.542    167.772  20.444     80.265   34.699  13.630  21.395  9.0273  13.30402       16.34803 
1 1 1 -19 0   42 o 19.590  8.4466  6.0499     73.012   -64.4616   163.969  23.488     81.542   24.909  11.519  21.654  9.1155  3.255711       14.68944 
1 1 1 -19 0   43 o 15.352  6.8634  -15.3445   52.362   -12.9502   71.717   -18.0781   76.630   18.192  8.0896  18.508  8.2866  -0.3159313     11.58058 
1 1 1 -19 0   44 f 51.295  5.5927  338.138    68.480   317.777    94.416   360.737    99.472   48.111  8.3932  51.417  8.2523  -3.305714      11.77059 
1 1 1 -19 0   45 o 71.345  4.7775  643.910    82.227   654.485    113.986  632.437    118.732  70.536  6.7421  68.960  7.2021  1.576050       9.865387 
1 1 1 -19 0   46 o 38.423  6.9344  199.240    62.270   139.945    84.965   268.051    91.528   30.950  9.9605  43.351  8.9962  -12.40005      13.42173 
1 1 1 -19 0   47 o 10.378  5.1488  -110.0006  49.418   -38.5565   63.741   -217.6488  78.242   15.478  7.1660  11.926  5.9980  3.551890       9.344920 
1 1 1 -19 0   48 o 20.170  8.0702  38.763     59.854   29.526     79.826   50.625     90.461   21.219  8.9803  23.421  9.7107  -2.202829      13.22659 
1 1 1 -19 0   49 o 43.563  6.6697  256.824    68.256   344.848    91.946   148.768    101.872  49.631  7.8998  30.983  10.910  18.64883       13.46939 
1 1 1 -19 0   50 o 47.539  7.9002  317.823    87.929   334.486    101.647  268.286    175.263  47.758  9.1041  37.589  14.142  10.16914       16.81867 
1 1 1 -19 0   51 o 51.195  7.5396  363.854    90.852   351.160    105.004  401.656    181.200  48.846  9.1970  45.593  14.533  3.253109       17.19828 
1 1 1 -19 0   52 o 36.494  7.8057  188.882    67.027   234.075    84.794   113.611    109.431  39.846  8.9848  28.275  11.036  11.57147       14.23078 
1 1 1 -19 0   53 o 14.204  6.5837  -33.7968   54.030   -32.7285   66.129   -35.9422   93.710   15.957  7.3567  18.926  8.7367  -2.969076      11.42154 
1 1 1 -19 0   54 o 18.857  8.7692  -44.3033   97.052   109.824    179.222  -108.2517  115.443  29.737  13.022  18.435  8.8571  11.30285       15.74851 
1 1 1 -19 0   55 o 32.655  11.510  178.127    113.412  254.110    229.276  153.512    130.496  35.203  15.069  30.757  12.038  4.445787       19.28728 
1 1 1 -19 0   56 o 29.434  11.293  140.366    113.141  -129.5599  232.078  224.521    129.584  24.601  11.993  35.114  12.308  -10.51242      17.18479 
1 1 1 -19 1   1  o 71.659  3.8343  627.133    66.426   590.321    92.247   666.778    95.730   69.263  5.5352  73.663  5.3934  -4.400124      7.728362 
1 1 1 -19 1   2  o 239.335 5.5524  7004.23    322.440  6747.37    454.764  7263.90    457.244  233.916 8.0124  242.826 7.7605  -8.909836      11.15453 
1 1 1 -19 1   3  o 233.155 5.4679  6644.81    309.333  6703.60    437.115  6585.83    437.811  233.320 7.7211  231.224 7.8035  2.095200       10.97773 
1 1 1 -19 1   4  o 76.492  4.2670  715.244    78.880   685.744    116.428  740.273    107.244  74.516  6.5045  77.590  5.7371  -3.073715      8.673115 
1 1 1 -19 1   5  o 139.462 6.1919  2381.89    209.530  2381.89    209.530  0.0000     0.0000   139.462 6.1919  ?       ?       0.000000       6.191947 
1 1 1 -19 1   6  o 135.524 6.1196  2248.65    201.234  2248.65    201.234  0.0000     0.0000   135.524 6.1196  ?       ?       0.000000       6.119568 
1 1 1 -19 1   7  o 124.610 4.2952  1892.26    129.867  1795.92    181.895  1992.44    185.477  120.945 6.2193  127.597 5.9908  -6.651428      8.635374 
1 1 1 -19 1   8  o 107.007 4.1965  1395.11    108.958  1382.15    152.088  1408.78    156.173  106.123 5.9301  107.122 6.0330  -0.9991302     8.459532 
1 1 1 -19 1   9  o 234.839 5.6362  6742.24    321.159  7229.74    456.446  6264.28    451.961  242.352 7.7621  225.374 8.2648  16.97810       11.33829 
1 1 1 -19 1   10 o 98.252  4.5656  1177.09    108.843  1407.99    144.593  875.181    165.340  107.183 5.5791  83.865  8.2313  23.31808       9.943842 
1 1 1 -19 1   11 o 117.583 4.1534  1684.40    118.497  1903.26    173.181  1491.73    162.490  124.755 5.7211  110.224 6.0993  14.53127       8.362535 
1 1 1 -19 1   12 o 137.232 4.1979  2294.64    139.781  2432.89    201.953  2167.50    193.668  141.010 5.9025  133.079 5.9977  7.931458       8.414976 
1 1 1 -19 1   13 o 137.307 6.1656  2308.72    205.414  2669.61    272.778  1835.98    312.195  147.085 7.6698  120.868 10.758  26.21712       13.21184 
1 1 1 -19 1   14 o 78.495  6.1436  759.028    116.079  920.703    153.708  544.435    177.085  86.220  7.4195  65.005  11.655  21.21509       13.81657 
1 1 1 -19 1   15 o 235.098 8.0445  6815.23    458.897  7506.32    624.614  6004.71    676.435  245.350 10.492  217.633 12.867  27.71745       16.60241 
1 1 1 -19 1   16 o 231.048 5.5230  6527.25    309.629  7248.91    440.634  5823.33    435.181  242.698 7.4825  217.192 8.2578  25.50548       11.14355 
1 1 1 -19 1   17 o 70.252  5.5634  607.300    94.059   0.0000     0.0000   607.300    94.059   ?       ?       70.252  5.5634  0.000000       5.563433 
1 1 1 -19 1   18 o 122.320 9.1470  1865.73    269.516  0.0000     0.0000   1865.73    269.516  ?       ?       122.320 9.1470  0.000000       9.146955 
1 1 1 -19 1   19 o 252.467 8.4791  7887.44    519.421  0.0000     0.0000   7887.44    519.421  ?       ?       252.467 8.4791  0.000000       8.479119 
1 1 1 -19 1   20 o 94.255  4.2366  1083.38    96.891   968.329    142.091  1183.37    132.465  88.534  6.6633  98.168  5.5843  -9.634056      8.693875 
1 1 1 -19 1   21 o 194.051 7.1169  4638.25    335.097  4738.64    510.684  4562.34    444.066  193.916 10.898  191.057 9.6097  2.858383       14.52954 
1 1 1 -19 1   22 o 142.172 6.2676  2482.86    216.212  2711.04    341.768  2330.61    279.179  147.046 9.6321  136.813 8.4513  10.23256       12.81412 
1 1 1 -19 1   23 o 145.363 6.4992  2600.18    229.235  2198.51    357.959  2879.43    298.465  131.365 11.341  152.173 8.1126  -20.80707      13.94426 
1 1 1 -19 1   24 o 171.125 6.8320  3613.09    283.679  3399.94    436.563  3768.87    373.210  163.472 11.072  173.565 8.8917  -10.09338      14.20008 
1 1 1 -19 1   25 o 169.584 4.5743  3518.04    188.223  3563.03    266.713  3473.39    265.664  169.966 6.4672  167.790 6.5253  2.176453       9.187214 
1 1 1 -19 1   26 o 128.033 4.3043  2004.82    133.716  1886.55    189.009  2123.33    189.197  123.471 6.3302  131.288 5.9392  -7.816429      8.680138 
1 1 1 -19 1   27 o 87.507  4.0776  936.434    86.578   786.655    119.124  1104.13    126.049  79.558  6.2204  94.555  5.5180  -14.99690      8.315152 
1 1 1 -19 1   28 o 72.173  4.2595  640.199    74.263   531.347    102.134  762.305    108.173  65.136  6.5511  78.390  5.7268  -13.25414      8.701349 
1 1 1 -19 1   29 o 46.765  5.0462  272.258    56.353   274.506    74.941   269.333    85.486   46.477  6.8508  45.669  8.0064  0.8075256      10.53740 
1 1 1 -19 1   30 o 105.005 4.1031  1352.27    104.540  1280.32    146.749  1426.40    148.961  101.392 5.9916  107.145 5.7508  -5.752983      8.304872 
1 1 1 -19 1   31 o 83.990  4.1964  866.587    85.521   755.340    118.335  988.218    123.735  77.563  6.3432  89.033  5.7585  -11.46966      8.567186 
1 1 1 -19 1   32 o 104.532 4.1464  1343.47    105.167  1278.44    147.045  1411.57    150.472  101.066 6.0236  106.302 5.8564  -5.235832      8.401256 
1 1 1 -19 1   33 o 41.116  5.2772  213.110    51.432   236.662    69.060   183.777    77.071   42.842  6.8759  37.059  8.7169  5.783344       11.10238 
1 1 1 -19 1   34 o 46.846  6.1944  279.836    68.683   286.463    83.294   265.756    121.408  46.867  7.5836  43.485  11.376  3.381828       13.67196 
1 1 1 -19 1   35 o 40.315  6.6869  210.545    63.118   194.276    75.976   246.786    113.395  38.045  8.4502  41.897  11.010  -3.852528      13.87928 
1 1 1 -19 1   36 o 52.302  6.0639  348.613    75.527   395.637    90.016   236.778    138.819  55.414  6.8399  40.411  12.702  15.00290       14.42626 
1 1 1 -19 1   37 o 28.322  6.9007  106.195    46.986   60.271     60.539   175.770    74.514   23.016  8.3726  35.966  8.6454  -12.94997      12.03508 
1 1 1 -19 1   38 o 41.562  6.3184  223.238    61.713   119.340    85.124   338.341    89.597   29.965  9.9900  50.782  7.4968  -20.81712      12.49008 
1 1 1 -19 1   39 o 51.546  5.5034  337.120    67.767   270.046    94.196   409.081    97.568   44.463  9.0392  55.929  7.3691  -11.46595      11.66234 
1 1 1 -19 1   40 o 70.982  6.0699  642.888    103.537  769.626    222.257  607.761    117.009  71.750  13.255  68.356  7.1610  3.393654       15.06547 
1 1 1 -19 1   41 o 48.239  8.9078  318.384    100.423  602.789    193.410  213.412    117.503  63.195  13.046  38.114  11.638  25.08078       17.48237 
1 1 1 -19 1   42 o 66.958  7.4952  591.828    119.683  473.575    224.038  639.052    141.577  52.216  16.091  68.688  8.6890  -16.47263      18.28731 
1 1 1 -19 1   43 o 47.842  6.0143  296.546    68.275   283.380    92.921   311.995    100.652  45.215  8.7862  47.291  9.1019  -2.076077      12.65078 
1 1 1 -19 1   44 o 56.816  5.4136  413.472    73.728   390.618    103.655  436.875    104.891  53.428  8.2624  56.880  7.8059  -3.451923      11.36659 
1 1 1 -19 1   45 o 28.992  8.0979  117.539    59.157   39.362     80.352   210.061    87.414   22.242  9.1812  38.021  9.5019  -15.77858      13.21286 
1 1 1 -19 1   46 o 53.696  5.6256  374.043    72.208   425.350    97.279   311.086    107.758  56.101  7.3209  45.908  9.9602  10.19335       12.36129 
1 1 1 -19 1   47 o 49.096  6.1609  318.671    71.777   389.283    94.390   221.853    110.526  53.333  7.5014  37.376  11.259  15.95667       13.52931 
1 1 1 -19 1   48 o 11.488  5.6215  -90.0829   52.407   -76.1285   65.632   -114.6350  87.057   14.004  6.7149  15.426  7.4800  -1.422686      10.05186 
1 1 1 -19 1   49 o 25.506  8.5440  91.866     62.261   61.719     78.249   143.887    102.789  23.286  9.2566  30.505  10.935  -7.218769      14.32690 
1 1 1 -19 1   50 o 25.539  9.9916  84.239     89.863   84.239     89.863   0.0000     0.0000   25.539  9.9916  ?       ?       0.000000       9.991557 
1 1 1 -19 1   51 o 28.239  9.3866  117.947    75.172   41.779     85.102   388.380    160.355  22.267  9.3397  46.454  13.453  -24.18712      16.37684 
1 1 1 -19 1   52 o 75.698  4.9577  736.465    90.558   488.298    119.733  1068.17    138.427  58.289  8.7347  89.588  6.4104  -31.29921      10.83462 
1 1 1 -19 1   53 o 30.466  10.538  143.643    94.844   507.471    219.365  59.994     105.184  49.024  16.022  24.650  10.364  24.37409       19.08192 
1 1 1 -19 1   54 o 38.279  11.717  247.856    119.022  -9.4202    237.311  334.325    137.577  27.837  13.183  43.957  12.375  -16.12065      18.08124 
1 1 1 -19 1   55 o 19.363  8.9757  -34.6420   100.441  -55.7606   206.896  -28.1301   114.888  25.245  12.056  20.809  9.6297  4.435532       15.42957 
1 1 1 -19 2   1  o 31.674  5.6604  126.353    41.906   151.925    56.400   94.837     62.613   34.569  6.9648  27.677  8.5030  6.892155       10.99132 
1 1 1 -19 2   2  o 74.029  3.9237  669.330    70.228   548.890    96.947   802.314    101.870  66.685  6.0577  80.876  5.2190  -14.19141      7.995850 
1 1 1 -19 2   3  o 79.586  4.2848  774.194    82.438   785.056    119.806  764.427    113.610  79.817  6.2356  78.803  5.9865  1.014221       8.644131 
1 1 1 -19 2   4  f 186.382 7.0058  4265.81    316.829  4265.81    316.829  0.0000     0.0000   186.382 7.0058  ?       ?       0.000000       7.005803 
1 1 1 -19 2   5  o 201.075 7.3002  4969.47    356.168  4969.47    356.168  0.0000     0.0000   201.075 7.3002  ?       ?       0.000000       7.300175 
1 1 1 -19 2   6  o 172.964 6.7106  3669.46    281.629  3669.46    281.629  0.0000     0.0000   172.964 6.7106  ?       ?       0.000000       6.710564 
1 1 1 -19 2   7  o 163.227 4.6599  3249.44    184.557  3195.47    260.433  3303.89    261.576  161.426 6.6490  164.163 6.5669  -2.737289      9.345230 
1 1 1 -19 2   8  o 185.618 4.8715  4204.13    219.407  4604.81    313.165  3817.85    307.489  193.779 6.6604  176.291 7.1885  17.48872       9.799771 
1 1 1 -19 2   9  o 185.228 5.5340  4193.47    248.721  4560.38    313.276  3567.83    409.080  192.831 6.6955  169.163 10.011  23.66811       12.04366 
1 1 1 -19 2   10 o 148.796 4.3698  2698.57    157.766  2977.38    227.265  2439.24    219.185  155.973 6.0051  141.091 6.4025  14.88132       8.777969 
1 1 1 -19 2   11 o 166.588 4.5595  3383.98    184.300  3663.74    263.429  3115.75    257.936  172.945 6.2776  159.390 6.6694  13.55547       9.159094 
1 1 1 -19 2   12 o 201.156 7.2758  4973.19    355.122  5315.05    479.929  4559.51    527.934  206.990 9.5557  190.479 11.476  16.51028       14.93374 
1 1 1 -19 2   13 o 177.526 7.0389  3870.65    303.201  4651.07    408.473  2913.03    452.478  193.988 8.6781  151.628 12.407  42.36018       15.14097 
1 1 1 -19 2   14 o 80.949  6.4133  808.094    124.937  931.876    170.124  663.178    184.074  86.544  8.1993  72.144  10.852  14.40034       13.60091 
1 1 1 -19 2   15 o 75.559  4.3315  698.217    79.080   758.617    121.582  653.928    104.112  78.403  6.4482  72.853  5.9414  5.549995       8.768102 
1 1 1 -19 2   16 o 28.944  8.0412  106.419    58.495   0.0000     0.0000   106.419    58.495   ?       ?       28.944  8.0412  0.000000       8.041154 
1 1 1 -19 2   17 o 112.597 5.5783  1550.91    152.403  0.0000     0.0000   1550.91    152.403  ?       ?       112.597 5.5783  0.000000       5.578292 
1 1 1 -19 2   18 o 193.922 7.1092  4625.78    334.513  0.0000     0.0000   4625.78    334.513  ?       ?       193.922 7.1092  0.000000       7.109202 
1 1 1 -19 2   19 o 49.727  5.4855  306.145    65.086   231.561    98.424   364.105    86.765   42.304  9.7836  54.027  6.7670  -11.72342      11.89589 
1 1 1 -19 2   20 o 138.442 4.3236  2338.14    145.236  2211.17    205.140  2465.74    205.650  134.216 6.2992  141.814 5.9765  -7.597824      8.683207 
1 1 1 -19 2   21 f 74.043  6.5213  678.921    115.964  875.107    196.888  574.713    143.494  83.119  9.9607  67.435  8.9940  15.68450       13.42042 
1 1 1 -19 2   22 o 58.573  7.4472  430.228    103.448  395.428    178.944  447.696    126.781  54.433  13.590  59.315  9.0995  -4.881878      16.35527 
1 1 1 -19 2   23 o 101.194 5.9932  1262.34    146.501  1766.69    239.592  961.170    185.145  118.945 8.3546  87.397  8.8529  31.54755       12.17262 
1 1 1 -19 2   24 o 10.874  5.4979  -242.7357  71.133   -1077.0930 139.504  50.418     82.691   ?       ?       24.710  9.6073  0.000000       9.607327 
1 1 1 -19 2   25 o 63.910  4.3594  501.759    67.198   501.855    93.347   501.656    96.814   63.536  6.1312  63.462  6.3733  0.7368851E-01  8.843686 
1 1 1 -19 2   26 o 65.986  4.3646  535.168    69.487   488.068    95.524   588.102    101.268  62.534  6.3851  68.771  6.1332  -6.236256      8.853532 
1 1 1 -19 2   27 o 16.735  6.7458  16.382     42.160   5.3306     54.763   32.462     66.060   17.645  7.4513  21.380  8.5031  -3.734953      11.30592 
1 1 1 -19 2   28 o 50.525  4.7646  316.323    57.721   279.345    78.132   360.752    85.644   46.845  7.0962  53.459  6.7532  -6.614815      9.795946 
1 1 1 -19 2   29 o 51.544  4.7098  329.363    58.253   337.884    78.977   319.196    86.271   51.749  6.4283  49.992  7.3299  1.756798       9.749357 
1 1 1 -19 2   30 o 102.841 4.1079  1297.94    102.506  1251.84    143.859  1345.49    146.097  100.211 5.9429  103.963 5.8149  -3.751167      8.314556 
1 1 1 -19 2   31 f 144.622 4.4303  2574.99    155.465  2567.06    220.022  2582.91    219.700  143.319 6.3270  143.780 6.2975  -0.4612427     8.926881 
1 1 1 -19 2   32 o 60.008  4.5729  446.801    66.081   430.413    89.090   466.846    98.528   58.275  6.4064  60.547  6.8257  -2.272648      9.361192 
1 1 1 -19 2   33 o 79.993  4.2218  790.717    81.652   761.498    113.875  821.635    117.140  77.739  6.0856  80.800  6.0181  -3.060150      8.558736 
1 1 1 -19 2   34 o 32.640  7.8774  141.973    61.674   97.416     73.326   249.710    114.021  27.663  9.2721  42.202  11.017  -14.53925      14.39934 
1 1 1 -19 2   35 o 24.100  8.1300  72.066     56.379   67.033     66.462   84.981     106.465  24.178  8.7761  28.262  10.925  -4.083376      14.01376 
1 1 1 -19 2   36 o 31.981  6.3743  133.552    47.728   142.318    63.309   122.009    72.646   32.526  8.0623  30.107  9.1414  2.418583       12.18877 
1 1 1 -19 2   37 o 81.065  4.6114  818.620    90.330   847.799    125.345  787.094    130.290  81.543  6.3862  78.214  6.9373  3.328354       9.429184 
1 1 1 -19 2   38 o 66.669  4.8400  556.469    77.761   536.167    109.010  577.503    110.958  64.311  7.1044  66.862  6.9405  -2.551048      9.931925 
1 1 1 -19 2   39 o 48.586  5.9600  302.436    68.788   228.406    97.818   374.865    96.754   40.285  10.042  53.286  7.7072  -13.00084      12.65904 
1 1 1 -19 2   40 o 24.526  9.8265  54.432     88.876   174.515    167.882  7.6737     104.759  35.737  13.746  23.007  10.018  12.72980       17.00932 
1 1 1 -19 2   41 o 40.873  9.7963  236.460    95.888   498.475    189.545  146.341    111.162  56.207  13.961  32.465  11.399  23.74195       18.02341 
1 1 1 -19 2   42 o 20.644  8.0951  40.046     59.091   121.045    81.616   -49.1886   85.665   29.621  9.7775  18.063  8.3435  11.55835       12.85353 
1 1 1 -19 2   43 o 20.362  7.9072  41.004     55.960   -1.5600    76.199   90.837     82.449   19.312  8.4728  26.675  9.7607  -7.363409      12.92512 
1 1 1 -19 2   44 o 41.198  6.6524  225.676    64.234   246.163    88.758   203.147    93.077   41.630  9.0454  37.128  10.075  4.502430       13.53969 
1 1 1 -19 2   45 o 52.827  5.6253  361.525    70.996   440.280    95.822   265.671    105.714  57.382  7.0291  42.074  10.412  15.30825       12.56225 
1 1 1 -19 2   46 o 19.684  7.8203  36.586     55.822   46.265     76.104   25.314     82.129   22.212  9.0244  21.255  9.0566  0.9569530      12.78523 
1 1 1 -19 2   47 o 12.880  6.1626  -63.8041   54.600   -44.8799   68.923   -95.6906   89.466   15.803  7.3625  16.331  7.8332  -0.5277309     10.75012 
1 1 1 -19 2   48 o 43.967  6.8362  262.938    70.560   142.021    92.443   431.715    109.216  30.465  10.410  55.111  8.4359  -24.64554      13.39886 
1 1 1 -19 2   49 o 15.755  7.3016  -37.3515   66.405   -2.4438    74.276   -176.3514  148.216  18.560  8.2440  19.523  9.5317  -0.9623070     12.60228 
1 1 1 -19 2   50 f 30.317  9.5091  138.843    77.850   80.807     88.273   341.976    165.146  25.203  9.8906  42.683  13.900  -17.48039      17.05940 
1 1 1 -19 2   51 o 18.531  7.8336  19.292     60.626   -71.7873   75.608   183.300    101.460  15.444  7.3509  33.834  10.884  -18.39075      13.13387 
1 1 1 -19 2   52 o 37.333  7.8279  197.641    68.644   173.622    90.352   230.431    105.567  33.384  10.207  37.901  10.898  -4.517605      14.93140 
1 1 1 -19 2   53 o 16.309  7.9489  -137.1556  101.811  -46.4837   191.924  -172.6631  120.103  25.239  11.924  17.207  8.4384  8.032410       14.60776 
1 1 1 -19 2   54 o 22.833  9.9077  35.718     101.748  90.615     214.428  19.765     115.590  29.513  13.472  22.943  10.231  6.570648       16.91662 
1 1 1 -19 2   55 o 11.611  5.8429  -202.9908  74.795   -233.3474  223.636  -199.1676  79.366   22.509  11.129  12.236  6.1390  10.27314       12.71002 
1 1 1 -19 3   1  o 127.204 4.0599  1971.46    125.308  1898.36    174.680  2048.95    179.858  124.551 5.7800  129.407 5.7281  -4.855812      8.137527 
1 1 1 -19 3   2  o 179.820 4.7799  3945.80    208.557  3880.28    292.560  4013.50    297.388  177.800 6.7814  180.828 6.7779  -3.027481      9.587853 
1 1 1 -19 3   3  o 196.741 7.0332  4754.41    335.748  4754.41    335.748  0.0000     0.0000   196.741 7.0332  ?       ?       0.000000       7.033212 
1 1 1 -19 3   4  o 146.537 6.2302  2630.31    221.522  2630.31    221.522  0.0000     0.0000   146.537 6.2302  ?       ?       0.000000       6.230248 
1 1 1 -19 3   5  o 102.006 6.0242  1278.00    148.443  1278.00    148.443  0.0000     0.0000   102.006 6.0242  ?       ?       0.000000       6.024226 
1 1 1 -19 3   6  o 127.569 4.3051  1983.35    133.258  1998.78    186.433  1967.24    190.545  127.789 6.0126  126.742 6.1960  1.047005       8.633783 
1 1 1 -19 3   7  o 67.093  4.2840  550.782    69.378   683.472    107.641  456.490    90.739   74.493  6.0062  60.740  6.2459  13.75351       8.665200 
1 1 1 -19 3   8  o 93.319  4.4999  1061.75    101.890  1195.09    135.577  888.700    154.449  98.701  5.6852  84.665  7.5992  14.03608       9.490486 
1 1 1 -19 3   9  o 68.693  4.2159  577.112    69.930   628.144    108.258  540.571    91.607   71.335  6.3199  66.238  5.7570  5.096573       8.548960 
1 1 1 -19 3   10 o 117.805 4.2076  1691.03    120.272  1950.12    176.444  1466.16    164.377  126.269 5.7590  109.239 6.2273  17.03046       8.482058 
1 1 1 -19 3   11 o 98.390  6.1437  1189.92    145.938  1372.45    195.303  959.140    219.604  105.322 7.6956  87.122  10.607  18.20007       13.10482 
1 1 1 -19 3   12 o 136.422 6.1315  2279.08    202.962  2345.82    269.111  2191.04    309.088  137.706 8.0896  132.517 9.6797  5.188858       12.61496 
1 1 1 -19 3   13 o 193.234 7.1812  4589.01    336.701  4961.95    453.592  4131.33    502.486  200.043 9.3450  181.212 11.487  18.83058       14.80848 
1 1 1 -19 3   14 o 164.382 5.1750  3300.75    206.410  4017.46    348.805  2914.53    256.055  180.513 7.9636  154.072 6.8493  26.44170       10.50390 
1 1 1 -19 3   15 o 116.067 5.6632  1648.05    159.490  0.0000     0.0000   1648.05    159.490  ?       ?       116.067 5.6632  0.000000       5.663174 
1 1 1 -19 3   16 o 87.480  5.5394  939.682    116.974  0.0000     0.0000   939.682    116.974  ?       ?       87.480  5.5394  0.000000       5.539416 
1 1 1 -19 3   17 o 78.289  5.5912  753.673    105.513  0.0000     0.0000   753.673    105.513  ?       ?       78.289  5.5912  0.000000       5.591193 
1 1 1 -19 3   18 o 100.217 4.4072  1225.17    107.170  1295.92    160.551  1168.32    143.929  102.547 6.4859  97.433  6.1191  5.114769       8.916867 
1 1 1 -19 3   19 o 82.550  4.4475  833.903    88.754   1001.83    131.856  694.785    120.013  90.190  6.0604  74.903  6.6732  15.28731       9.014491 
1 1 1 -19 3   20 o 46.901  8.3031  280.104    91.031   376.268    152.944  227.349    113.281  53.523  12.065  41.765  11.019  11.75773       16.33967 
1 1 1 -19 3   21 o 25.847  9.6580  64.683     81.475   153.015    145.237  24.120     98.420   36.605  13.011  24.501  10.141  12.10323       16.49669 
1 1 1 -19 3   22 o 165.640 6.9953  3384.88    281.150  2418.53    435.480  4075.55    368.159  136.546 13.313  181.102 8.3781  -44.55637      15.73010 
1 1 1 -19 3   23 o 109.601 4.1388  1466.64    110.066  1311.28    155.293  1623.47    156.023  103.038 6.2408  115.011 5.5909  -11.97364      8.378954 
1 1 1 -19 3   24 o 94.127  4.0796  1082.18    93.174   1057.08    131.604  1107.40    131.932  92.512  5.8935  94.732  5.7672  -2.219604      8.245831 
1 1 1 -19 3   25 o 147.774 4.4237  2672.45    158.617  2485.95    223.874  2860.44    224.764  141.812 6.5062  152.297 6.0823  -10.48491      8.906478 
1 1 1 -19 3   26 o 96.497  4.1317  1139.18    96.740   1062.13    134.775  1221.06    138.943  92.555  6.0343  99.347  5.7890  -6.791389      8.362114 
1 1 1 -19 3   27 o 47.349  5.0132  278.655    56.720   275.573    76.068   282.515    85.122   46.586  6.9416  46.939  7.7439  -0.3533134     10.39966 
1 1 1 -19 3   28 o 70.192  4.2769  606.450    72.493   633.578    101.129  577.776    103.973  71.297  5.8987  67.907  6.3851  3.389786       8.692787 
1 1 1 -19 3   29 o 67.958  4.2856  569.256    70.306   587.394    97.766   549.830    101.176  68.550  5.9365  66.154  6.3824  2.395355       8.716429 
1 1 1 -19 3   30 o 73.663  4.2819  669.248    76.204   580.083    104.384  770.990    111.504  67.865  6.4152  78.528  5.8950  -10.66267      8.712390 
1 1 1 -19 3   31 o 132.613 4.3620  2165.87    140.357  2131.17    197.338  2201.40    199.671  130.538 6.2303  132.689 6.2018  -2.151718      8.790828 
1 1 1 -19 3   32 o 17.741  6.9794  24.717     44.058   35.449     57.010   8.8025     69.422   20.384  7.9628  19.683  8.3549  0.7012844      11.54172 
1 1 1 -19 3   33 o 37.180  7.3972  181.646    64.385   180.567    74.631   184.787    127.317  36.682  8.5439  36.674  12.217  0.8045197E-02  14.90822 
1 1 1 -19 3   34 o 96.576  5.5456  1169.73    129.405  1083.41    161.094  1326.76    217.274  91.852  7.2880  100.268 9.0274  -8.415398      11.60211 
1 1 1 -19 3   35 f 65.884  5.6877  548.193    90.033   588.093    110.384  468.893    155.615  67.693  6.8129  57.545  11.547  10.14882       13.40668 
1 1 1 -19 3   36 o 66.257  4.9665  549.885    79.264   538.765    108.171  562.781    116.484  64.592  7.0146  65.796  7.4262  -1.204041      10.21537 
1 1 1 -19 3   37 o 27.114  8.4655  97.241     61.780   97.128     84.887   97.369     90.085   27.893  9.9439  28.150  10.217  -0.2566242     14.25753 
1 1 1 -19 3   38 o 13.202  6.2713  -61.9104   54.491   -80.5107   71.201   -35.6141   84.659   14.990  7.1345  18.756  8.5241  -3.766588      11.11576 
1 1 1 -19 3   39 o 51.316  8.6369  355.826    103.721  597.491    206.805  274.606    119.891  62.186  14.038  43.467  11.272  18.71892       18.00402 
1 1 1 -19 3   40 o 40.176  10.297  230.904    100.845  -41.9190   188.075  340.994    119.472  27.322  12.526  48.987  10.374  -21.66515      16.26416 
1 1 1 -19 3   41 o 57.290  8.3995  444.008    113.294  483.999    211.016  427.811    134.290  53.500  15.414  54.706  10.499  -1.206570      18.65002 
1 1 1 -19 3   42 o 26.545  8.3379  95.580     59.830   128.678    80.856   55.525     88.947   30.272  9.7140  24.308  9.7982  5.963772       13.79733 
1 1 1 -19 3   43 o 15.185  6.8512  -19.4590   53.524   -6.4450    72.743   -34.8225   79.037   18.568  8.2071  17.800  8.1455  0.7683811      11.56317 
1 1 1 -19 3   44 o 15.851  7.0196  -8.4561    53.466   -25.2517   73.629   10.279     77.765   17.542  7.9635  20.048  8.6803  -2.505268      11.77988 
1 1 1 -19 3   45 o 11.525  5.6160  -82.8823   50.740   -48.4624   69.633   -121.8486  74.089   15.819  7.3801  13.693  6.6967  2.126030       9.965516 
1 1 1 -19 3   46 o 22.709  8.3930  64.268     61.199   1.4846     78.801   159.686    97.146   19.418  8.5644  32.250  10.668  -12.83224      13.68073 
1 1 1 -19 3   47 o 38.880  7.5328  210.890    68.498   208.932    87.613   213.969    109.860  37.208  9.6300  36.376  11.278  0.8320541      14.82973 
1 1 1 -19 3   48 o 12.899  6.2060  -71.8685   57.155   -102.2744  70.620   -14.1371   97.309   13.722  6.6727  20.221  9.1700  -6.498513      11.34077 
1 1 1 -19 3   49 o 37.863  10.242  223.899    96.366   223.899    96.366   0.0000     0.0000   37.863  10.242  ?       ?       0.000000       10.24186 
1 1 1 -19 3   50 o 17.836  7.6798  10.726     60.194   94.777     78.514   -109.1197  93.753   26.034  9.5250  16.278  7.8603  9.755161       12.34949 
1 1 1 -19 3   51 o 33.238  7.7946  157.385    61.773   133.263    84.505   185.066    90.526   29.666  9.9538  34.495  10.142  -4.829199      14.21030 
1 1 1 -19 3   52 o 18.312  8.1324  -2.6116    72.251   -0.0003    230.020  -2.8974    76.103   28.022  13.182  18.705  8.3246  9.317673       15.59084 
1 1 1 -19 3   53 o 57.549  9.4628  493.863    127.543  619.003    284.189  462.300    142.724  48.481  18.053  53.484  11.349  -5.003094      21.32395 
1 1 1 -19 3   54 o 23.035  9.6437  53.370     90.456   226.550    244.970  26.029     97.335   33.616  14.950  21.884  9.5894  11.73129       17.76076 
1 1 1 -19 4   1  o 73.760  4.3798  665.644    78.035   641.638    109.015  690.871    111.753  72.087  6.2957  74.838  6.2103  -2.751106      8.843298 
1 1 1 -19 4   2  o 177.857 6.7777  3882.93    292.495  3882.93    292.495  0.0000     0.0000   177.857 6.7777  ?       ?       0.000000       6.777704 
1 1 1 -19 4   3  o 120.634 5.8945  1781.04    172.536  1781.04    172.536  0.0000     0.0000   120.634 5.8945  ?       ?       0.000000       5.894478 
1 1 1 -19 4   4  o 36.138  9.4505  167.885    83.808   167.885    83.808   0.0000     0.0000   36.138  9.4505  ?       ?       0.000000       9.450496 
1 1 1 -19 4   5  o 139.489 4.3787  2371.83    148.201  2498.45    209.169  2244.20    210.009  142.859 6.0343  135.320 6.3960  7.538681       8.793287 
1 1 1 -19 4   6  o 53.332  4.5382  349.300    58.167   321.712    93.958   366.444    74.067   50.524  7.9250  54.451  5.6900  -3.927162      9.756142 
1 1 1 -19 4   7  o 231.621 5.5784  6558.76    313.511  7274.22    444.509  5850.58    442.243  243.162 7.5339  217.719 8.3714  25.44269       11.26235 
1 1 1 -19 4   8  o 224.853 5.4667  6179.22    298.254  6854.61    423.151  5512.41    420.452  236.108 7.3862  211.408 8.1966  24.70009       11.03357 
1 1 1 -19 4   9  o 53.792  4.6238  355.473    59.764   401.163    95.971   326.532    76.381   56.718  7.1313  51.259  6.2720  5.458767       9.497007 
1 1 1 -19 4   10 o 135.728 6.2641  2256.85    206.296  2629.53    273.467  1764.67    314.263  145.935 7.7507  118.339 11.073  27.59646       13.51640 
1 1 1 -19 4   11 o 36.660  9.1037  172.887    80.611   106.296    112.784  242.430    115.257  31.626  11.440  43.233  10.970  -11.60708      15.84915 
1 1 1 -19 4   12 o 122.129 6.0256  1826.24    178.560  1901.05    235.892  1725.86    273.252  123.966 7.8833  117.516 9.6688  6.449821       12.47531 
1 1 1 -19 4   13 o 179.239 6.9792  3946.46    303.530  4469.47    405.757  3281.91    457.377  190.055 8.7988  161.241 11.772  28.81386       14.69680 
1 1 1 -19 4   14 o 64.679  4.9374  513.677    76.901   610.290    145.886  476.502    90.494   69.700  8.8237  62.082  6.0857  7.618267       10.71885 
1 1 1 -19 4   15 o 48.591  6.4613  294.547    74.291   0.0000     0.0000   294.547    74.291   ?       ?       48.591  6.4613  0.000000       6.461296 
1 1 1 -19 4   16 f 143.555 5.9183  2524.11    206.146  0.0000     0.0000   2524.11    206.146  ?       ?       143.555 5.9183  0.000000       5.918262 
1 1 1 -19 4   17 o 113.793 5.2666  1583.24    145.416  1461.20    318.812  1615.30    163.404  106.772 12.545  114.681 5.8922  -7.908821      13.85979 
1 1 1 -19 4   18 o 78.380  4.5646  752.357    86.434   690.281    130.841  800.423    115.133  74.506  7.3325  80.602  5.9285  -6.096329      9.429413 
1 1 1 -19 4   19 o 73.286  6.5622  665.206    115.456  509.175    194.550  750.033    143.447  62.066  13.317  77.562  7.7249  -15.49629      15.39577 
1 1 1 -19 4   20 o 80.075  6.3266  792.604    121.922  951.933    205.165  705.620    151.593  86.709  9.9307  74.959  8.4841  11.75026       13.06136 
1 1 1 -19 4   21 o 26.579  9.6333  74.546     80.038   105.024    136.178  58.460     98.928   32.845  12.440  26.861  10.490  5.983421       16.27306 
1 1 1 -19 4   22 o 16.356  7.6133  -64.8578   73.436   -57.4730   125.199  -68.7312   90.672   23.186  10.468  18.601  8.5891  4.585014       13.54092 
1 1 1 -19 4   23 o 74.738  4.1426  684.334    74.829   696.488    102.525  670.479    109.465  75.085  5.6693  73.533  6.1928  1.551727       8.395932 
1 1 1 -19 4   24 o 73.845  4.3066  669.122    76.829   580.762    104.900  771.363    112.839  68.297  6.4050  78.921  5.9360  -10.62424      8.732686 
1 1 1 -19 4   25 o 60.879  4.4535  456.261    65.329   416.079    90.595   499.792    94.294   57.613  6.5996  63.314  6.2182  -5.700256      9.067587 
1 1 1 -19 4   26 o 145.637 4.3768  2599.20    154.666  2437.06    218.224  2762.86    219.242  140.220 6.4140  149.476 6.0449  -9.256271      8.813640 
1 1 1 -19 4   27 o 136.483 4.3493  2284.81    144.034  2193.86    203.885  2375.41    203.505  132.937 6.3208  138.456 6.0576  -5.519455      8.754841 
1 1 1 -19 4   28 o 115.619 4.2046  1640.19    117.957  1464.78    165.411  1821.70    168.258  108.330 6.3204  121.272 5.7181  -12.94261      8.523124 
1 1 1 -19 4   29 o 48.889  5.0522  298.150    59.067   264.160    80.454   337.892    86.996   45.206  7.6048  51.411  7.1690  -6.205093      10.45118 
1 1 1 -19 4   30 o 48.313  5.0714  291.779    58.564   273.716    77.256   316.181    89.795   46.124  7.1332  49.407  7.7448  -3.282795      10.52925 
1 1 1 -19 4   31 o 144.941 4.5322  2592.81    159.390  2411.44    225.133  2775.09    225.692  138.388 6.7047  148.812 6.2505  -10.42413      9.166311 
1 1 1 -19 4   32 o 74.983  5.0339  700.772    91.054   633.328    106.880  879.281    173.882  70.737  6.2929  81.853  8.8983  -11.11643      10.89865 
1 1 1 -19 4   33 o 80.369  5.6565  811.740    109.603  890.774    134.905  658.274    187.987  83.635  6.7042  68.599  11.715  15.03593       13.49733 
1 1 1 -19 4   34 o 97.977  5.6958  1207.50    134.824  1211.83    168.665  1199.83    224.388  97.130  7.2080  94.347  9.9519  2.782951       12.28805 
1 1 1 -19 4   35 o 33.942  6.3121  149.934    50.072   92.893     65.771   228.573    77.225   26.776  8.7743  41.413  7.9744  -14.63743      11.85663 
1 1 1 -19 4   36 o 38.955  7.2384  200.188    65.899   268.538    88.435   114.848    98.817   44.683  8.4668  29.989  10.725  14.69341       13.66407 
1 1 1 -19 4   37 o 59.466  5.4899  447.474    78.318   362.602    107.628  542.995    114.180  51.790  8.8846  64.506  7.4308  -12.71645      11.58247 
1 1 1 -19 4   38 o 24.382  8.2872  74.963     58.584   56.907     80.698   95.083     85.185   24.132  9.4608  27.615  9.9489  -3.482952      13.72903 
1 1 1 -19 4   39 o 30.307  10.143  124.851    87.752   160.801    177.387  113.202    100.973  35.151  13.948  29.670  10.810  5.480659       17.64686 
1 1 1 -19 4   40 o 39.697  10.252  226.437    99.443   280.370    189.404  205.913    116.842  41.648  14.853  37.310  11.641  4.338039       18.87111 
1 1 1 -19 4   41 o 21.422  8.2274  47.564     60.084   114.961    83.892   -23.4176   86.094   29.034  9.9168  19.305  8.7016  9.729605       13.19322 
1 1 1 -19 4   42 o 19.897  7.8918  35.485     56.761   -6.7337    79.566   79.237     80.998   19.366  8.5705  25.564  9.6144  -6.197811      12.87990 
1 1 1 -19 4   43 o 37.629  7.2229  192.078    63.550   194.199    88.246   189.793    91.595   36.410  9.7808  35.822  10.101  0.5883331      14.06070 
1 1 1 -19 4   44 o 39.005  7.2515  207.418    66.103   171.792    90.259   248.635    97.082   33.877  10.168  41.007  9.8750  -7.129742      14.17398 
1 1 1 -19 4   45 o 56.121  5.5830  409.231    75.016   486.461    106.101  332.038    106.075  59.740  7.4839  47.657  9.5065  12.08257       12.09883 
1 1 1 -19 4   46 o 47.772  6.2184  303.507    70.372   295.969    96.058   312.240    103.386  45.042  9.1025  45.867  9.5979  -0.8246536     13.22779 
1 1 1 -19 4   47 o 45.468  6.3322  277.136    67.964   288.505    94.421   264.913    97.906   44.318  9.0857  41.782  9.8228  2.536236       13.38053 
1 1 1 -19 4   48 o 25.336  9.8213  83.688     86.218   83.688     86.218   0.0000     0.0000   25.336  9.8213  ?       ?       0.000000       9.821345 
1 1 1 -19 4   49 o 17.401  7.8327  -13.0274   69.485   5.0314     77.571   -86.3470   156.302  19.308  8.5076  22.225  10.576  -2.917000      13.57315 
1 1 1 -19 4   50 o ?       ?       -212.3739  44.572   -264.6667  61.611   -154.9538  64.561   ?       ?       11.403  5.6941  0.000000       5.694106 
1 1 1 -19 4   51 o 18.151  7.5389  22.712     54.661   -24.6662   74.131   79.163     80.919   17.332  7.9153  24.766  9.5386  -7.434160      12.39504 
1 1 1 -19 4   52 o 20.860  9.2573  7.8826     93.463   18.855     230.986  5.7346     102.203  28.342  13.293  21.460  9.5918  6.881983       16.39259 
1 1 1 -19 4   53 o 40.970  11.065  276.673    112.576  167.211    266.081  300.540    124.245  32.295  14.840  41.989  11.738  -9.693542      18.92146 
1 1 1 -19 4   54 o 36.987  11.263  235.511    110.161  441.498    264.572  192.310    121.164  39.977  16.594  32.888  11.863  7.089268       20.39793 
1 1 1 -19 5   1  o 121.694 4.2873  1805.34    126.594  1807.39    175.624  1803.11    182.646  121.493 5.9576  121.140 6.2349  0.3520966      8.623644 
1 1 1 -19 5   2  o 33.001  9.4935  138.373    80.098   138.373    80.098   0.0000     0.0000   33.001  9.4935  ?       ?       0.000000       9.493462 
1 1 1 -19 5   3  o 41.325  8.6915  218.792    84.387   218.792    84.387   0.0000     0.0000   41.325  8.6915  ?       ?       0.000000       8.691501 
1 1 1 -19 5   4  o 56.855  5.0844  397.818    69.401   378.498    102.212  414.345    94.533   54.888  7.9024  57.700  6.8883  -2.812241      10.48320 
1 1 1 -19 5   5  o 114.273 4.2841  1591.57    118.786  1533.20    166.628  1651.89    169.383  111.717 6.1710  116.002 6.0387  -4.285492      8.634038 
1 1 1 -19 5   6  o 189.217 4.9184  4370.03    225.814  4691.02    320.534  4053.75    318.179  195.520 6.7564  181.609 7.2206  13.91138       9.888685 
1 1 1 -19 5   7  o 15.676  6.5998  3.5968     42.750   60.215     77.010   -21.6229   51.397   25.147  9.3909  15.215  6.8011  9.932291       11.59503 
1 1 1 -19 5   8  o 185.473 4.9094  4198.75    220.942  4558.63    313.685  3844.44    311.247  192.756 6.7069  176.847 7.2534  15.90961       9.879013 
1 1 1 -19 5   9  o 108.927 6.0530  1457.14    159.352  1718.84    210.827  1108.38    243.376  117.993 7.4013  93.609  10.920  24.38407       13.19214 
1 1 1 -19 5   10 o 51.328  7.3767  330.368    89.232   354.648    119.188  299.403    134.599  52.666  9.6837  47.931  11.680  4.735004       15.17241 
1 1 1 -19 5   11 o 37.825  8.9170  184.032    80.505   151.672    108.964  222.928    119.462  35.117  11.278  41.520  11.475  -6.402527      16.08939 
1 1 1 -19 5   12 o 39.404  9.3131  200.100    87.634   246.244    121.369  149.842    126.666  43.532  11.367  35.690  12.185  7.842350       16.66434 
1 1 1 -19 5   13 o 104.340 4.1416  1326.77    104.854  1388.87    154.022  1273.13    143.147  106.329 5.9943  101.825 5.8179  4.503670       8.353462 
1 1 1 -19 5   14 o 65.266  5.8742  525.668    92.028   0.0000     0.0000   525.668    92.028   ?       ?       65.266  5.8742  0.000000       5.874160 
1 1 1 -19 5   15 o 128.272 9.4530  2055.34    292.143  0.0000     0.0000   2055.34    292.143  ?       ?       128.272 9.4530  0.000000       9.453030 
1 1 1 -19 5   16 o 16.999  7.6489  -31.5817   66.184   0.0000     0.0000   -31.5817   66.184   ?       ?       16.999  7.6489  0.000000       7.648897 
1 1 1 -19 5   17 o 139.951 4.5934  2390.87    155.981  2646.70    228.839  2168.87    213.175  146.820 6.4236  132.860 6.6127  13.95952       9.219045 
1 1 1 -19 5   18 o 130.281 6.2787  2083.92    198.480  2061.92    324.685  2097.05    250.797  127.822 10.563  129.984 7.9905  -2.162155      13.24508 
1 1 1 -19 5   19 o 76.654  6.4371  727.164    118.618  906.652    214.722  648.331    142.302  84.308  10.740  71.867  8.3140  12.44107       13.58224 
1 1 1 -19 5   20 o 79.011  6.4612  772.943    122.787  620.880    222.771  839.298    147.158  68.279  13.919  82.085  7.4702  -13.80614      15.79654 
1 1 1 -19 5   21 f 62.868  6.9482  493.461    104.219  589.546    173.988  439.694    130.151  67.492  11.004  58.586  9.4795  8.906330       14.52376 
1 1 1 -19 5   22 o 179.281 4.8204  3934.85    209.692  3730.63    295.793  4141.17    297.311  173.694 7.0184  183.160 6.6899  -9.466049      9.696007 
1 1 1 -19 5   23 o 141.715 4.4232  2456.89    152.095  2291.57    214.129  2625.23    216.075  136.218 6.4785  145.944 6.1018  -9.725464      8.899597 
1 1 1 -19 5   24 o 22.116  7.3202  58.226     45.736   70.323     58.173   38.647     74.010   24.434  8.2583  22.802  9.0218  1.632114       12.23078 
1 1 1 -19 5   25 o 45.201  5.2799  254.686    56.817   183.847    77.060   339.068    84.104   37.506  8.6449  51.826  6.8565  -14.31961      11.03388 
1 1 1 -19 5   26 o 119.291 4.2241  1743.94    122.265  1746.55    172.644  1741.31    173.176  118.627 6.0177  118.436 6.0463  0.1915283      8.530547 
1 1 1 -19 5   27 o 102.643 4.1227  1291.77    102.677  1144.67    144.030  1443.78    146.413  95.790  6.2307  107.894 5.6120  -12.10397      8.385505 
1 1 1 -19 5   28 o 64.637  4.4335  516.037    69.112   468.258    93.918   572.469    102.069  60.949  6.4486  67.505  6.3045  -6.555920      9.018332 
1 1 1 -19 5   29 o 79.434  4.1864  777.708    80.403   677.645    112.229  883.223    115.246  73.371  6.3671  84.127  5.6791  -10.75598      8.531837 
1 1 1 -19 5   30 o 67.077  4.3190  556.427    69.921   570.968    96.816   540.575    101.089  67.373  5.9846  65.352  6.4596  2.021149       8.805787 
1 1 1 -19 5   31 o 46.483  5.1367  271.320    56.968   240.048    75.456   312.772    86.874   42.870  7.5287  49.065  7.5384  -6.194473      10.65399 
1 1 1 -19 5   32 o 22.550  8.1362  57.462     56.999   101.229    67.472   -51.6176   106.519  27.872  8.8663  20.727  9.4744  7.145350       12.97594 
1 1 1 -19 5   33 o 44.980  6.6762  261.368    70.654   260.511    83.818   263.474    131.326  44.307  8.0947  42.732  12.111  1.575821       14.56751 
1 1 1 -19 5   34 o 47.079  5.4628  280.873    61.243   277.467    86.583   284.284    86.638   45.681  8.1085  46.302  8.0010  -0.6208611     11.39133 
1 1 1 -19 5   35 o 51.250  5.8482  334.636    71.422   363.243    96.674   300.260    105.977  52.485  7.8309  46.680  9.6744  5.805088       12.44653 
1 1 1 -19 5   36 f 45.921  6.2561  271.611    67.894   288.370    93.254   252.708    99.039   46.213  8.6339  42.618  9.7843  3.595791       13.04902 
1 1 1 -19 5   37 o 13.063  6.2002  -59.5369   53.052   -16.8825   72.530   -108.6169  77.801   18.213  8.1147  14.879  7.1786  3.333857       10.83420 
1 1 1 -19 5   38 o 19.442  8.6048  -11.1445   80.217   -16.8687   165.385  -9.3835    91.730   26.756  12.060  20.822  9.2092  5.934069       15.17434 
1 1 1 -19 5   39 o 40.502  9.7288  231.837    94.412   252.399    187.600  224.863    109.256  40.126  14.717  39.226  11.022  0.9000473      18.38698 
1 1 1 -19 5   40 o 21.689  8.4175  47.103     63.388   107.680    80.111   -54.3239   103.661  28.304  9.6906  19.859  9.1749  8.444822       13.34491 
1 1 1 -19 5   41 o 61.949  5.5385  491.243    82.373   405.132    112.721  589.933    120.672  54.069  8.9018  66.457  7.6212  -12.38816      11.71853 
1 1 1 -19 5   42 o 36.699  7.4869  183.906    64.411   137.281    92.391   227.994    89.843   30.876  10.408  39.781  9.4481  -8.904512      14.05656 
1 1 1 -19 5   43 o 30.748  8.2073  133.366    62.377   122.839    89.143   143.465    87.313   29.349  10.213  31.260  10.101  -1.911842      14.36444 
1 1 1 -19 5   44 o 33.536  8.0150  158.750    64.331   194.100    91.805   124.646    90.173   35.844  10.115  29.315  10.268  6.528852       14.41321 
1 1 1 -19 5   45 o 38.547  7.2952  205.044    65.734   180.055    91.215   232.045    94.814   34.257  10.208  39.134  9.9600  -4.876850      14.26200 
1 1 1 -19 5   46 o 18.416  7.6307  23.933     55.809   -68.8328   77.675   122.923    80.238   15.839  7.5133  28.774  9.6990  -12.93539      12.26868 
1 1 1 -19 5   47 o 25.414  9.8869  83.994     87.613   83.994     87.613   0.0000     0.0000   25.414  9.8869  ?       ?       0.000000       9.886868 
1 1 1 -19 5   48 o 26.137  9.4900  96.533     77.724   85.001     87.648   138.979    168.154  25.460  9.8933  30.735  13.022  -5.275122      16.35418 
1 1 1 -19 5   49 o 31.723  8.0126  145.122    61.692   128.898    85.185   163.017    89.465   29.179  9.9927  32.317  10.202  -3.137844      14.28061 
1 1 1 -19 5   50 o 15.318  6.9350  -17.7236   55.385   -119.6366  79.102   80.285     77.572   14.262  6.9634  24.726  9.3835  -10.46367      11.68498 
1 1 1 -19 5   51 f 16.579  7.8405  -65.3435   83.357   420.456    225.420  -142.2951  89.717   43.343  16.090  14.866  7.2911  28.47708       17.66522 
1 1 1 -19 5   52 o 29.244  10.858  132.765    102.655  387.060    248.635  80.509     112.710  40.028  16.293  25.949  10.806  14.07928       19.55023 
1 1 1 -19 5   53 o 24.712  9.9686  78.170     92.140   74.050     246.048  78.842     99.371   29.234  13.714  25.040  10.258  4.194519       17.12656 
1 1 1 -19 6   1  o 86.175  5.8641  913.241    121.887  913.241    121.887  0.0000     0.0000   86.175  5.8641  ?       ?       0.000000       5.864085 
1 1 1 -19 6   2  o 79.748  6.0622  783.334    116.426  783.334    116.426  0.0000     0.0000   79.748  6.0622  ?       ?       0.000000       6.062214 
1 1 1 -19 6   3  o 132.227 4.7562  2133.60    152.596  2193.67    193.789  2035.57    247.562  133.852 5.9668  128.238 7.9960  5.614349       9.976870 
1 1 1 -19 6   4  o 138.676 4.4141  2344.81    148.529  2361.19    207.410  2327.58    212.798  138.833 6.1571  137.796 6.3646  1.037079       8.855339 
1 1 1 -19 6   5  o 111.399 4.2170  1512.41    113.984  1691.60    166.087  1352.86    156.717  117.573 5.8219  104.910 6.1839  12.66306       8.493247 
1 1 1 -19 6   6  o 62.579  4.6871  480.411    70.653   537.491    110.263  440.650    92.028   65.790  7.0155  59.611  6.4662  6.179047       9.540930 
1 1 1 -19 6   7  o 61.229  4.7201  460.081    69.583   610.443    108.425  354.786    90.732   70.280  6.4294  53.261  7.2058  17.01833       9.657187 
1 1 1 -19 6   8  o 116.153 6.2625  1657.90    175.846  1656.80    224.061  1659.65    283.744  115.643 8.0350  114.995 10.277  0.6476898      13.04557 
1 1 1 -19 6   9  o 144.294 6.4300  2552.90    225.124  2659.18    293.191  2400.23    351.405  146.540 8.2797  138.320 10.550  8.220108       13.41093 
1 1 1 -19 6   10 o 128.678 6.1478  2028.55    191.950  1836.23    245.590  2330.48    307.711  121.651 8.3711  136.764 9.3284  -15.11288      12.53371 
1 1 1 -19 6   11 o 72.514  6.3698  649.518    110.940  607.172    143.239  713.003    175.383  69.555  8.6760  75.117  9.8606  -5.562737      13.13406 
1 1 1 -19 6   12 o 88.573  4.1800  956.207    89.834   1066.54    134.048  866.255    121.036  93.136  5.9630  83.894  5.9852  9.242035       8.448705 
1 1 1 -19 6   13 o 155.511 6.1743  2964.30    232.977  0.0000     0.0000   2964.30    232.977  ?       ?       155.511 6.1743  0.000000       6.174294 
1 1 1 -19 6   14 f 157.699 9.9290  3110.67    377.987  0.0000     0.0000   3110.67    377.987  ?       ?       157.699 9.9290  0.000000       9.929043 
1 1 1 -19 6   15 o 93.448  8.0691  1086.59    181.167  0.0000     0.0000   1086.59    181.167  ?       ?       93.448  8.0691  0.000000       8.069118 
1 1 1 -19 6   16 o 73.380  4.7522  660.285    84.158   730.269    130.383  610.305    110.185  76.709  7.0851  70.193  6.5449  6.516068       9.645429 
1 1 1 -19 6   17 o 69.574  4.4338  593.139    74.460   612.875    104.116  572.476    106.531  70.409  6.1561  67.948  6.5424  2.460968       8.983364 
1 1 1 -19 6   18 o 182.410 6.9852  4099.70    309.164  4090.20    478.683  4106.50    404.954  179.856 11.022  181.307 9.2356  -1.451721      14.37988 
1 1 1 -19 6   19 o 142.898 6.3973  2511.52    221.814  2626.56    358.307  2440.05    282.442  144.250 10.305  139.948 8.3557  4.301865       13.26686 
1 1 1 -19 6   20 o 22.775  9.3947  22.241     84.058   15.069     176.132  24.356     95.654   30.985  13.234  24.182  10.002  6.803421       16.58887 
1 1 1 -19 6   21 f 126.153 4.3514  1944.93    133.195  1884.56    188.249  2005.45    188.483  123.535 6.3012  127.658 6.0850  -4.123177      8.759748 
1 1 1 -19 6   22 o 42.588  5.6699  226.786    57.135   190.527    76.122   273.568    86.466   38.354  8.4113  46.257  7.9928  -7.903851      11.60323 
1 1 1 -19 6   23 o 88.889  4.1078  966.055    88.597   919.721    123.396  1015.35    127.284  86.175  5.9376  90.599  5.8209  -4.423820      8.314943 
1 1 1 -19 6   24 f 43.429  5.2990  235.355    54.681   212.419    74.629   261.941    80.348   40.575  7.8642  45.250  7.5866  -4.674923      10.92717 
1 1 1 -19 6   25 o 84.547  4.1747  875.675    85.643   818.947    118.246  938.270    124.210  81.123  6.0508  86.904  5.9259  -5.780602      8.469279 
1 1 1 -19 6   26 o 98.462  4.2156  1189.03    100.714  1225.52    140.700  1150.68    144.229  99.299  5.8657  96.066  6.2209  3.232613       8.550196 
1 1 1 -19 6   27 o 105.588 4.1788  1368.53    107.061  1338.67    149.345  1400.10    153.557  103.647 5.9636  105.991 5.9955  -2.343811      8.456339 
1 1 1 -19 6   28 o 131.245 4.3197  2118.68    137.561  2074.87    194.531  2162.50    194.552  128.942 6.2177  131.712 6.0876  -2.770538      8.701658 
1 1 1 -19 6   29 o 101.770 4.1360  1273.94    102.133  1230.30    143.276  1319.02    145.629  99.110  5.9860  102.694 5.8687  -3.584473      8.382958 
1 1 1 -19 6   30 o 80.485  4.2438  800.439    82.585   711.690    114.181  897.800    119.593  75.043  6.3298  84.572  5.8642  -9.528740      8.628749 
1 1 1 -19 6   31 o 68.434  5.7700  589.799    94.916   583.376    114.251  604.105    170.519  67.441  7.0880  66.288  10.987  1.153046       13.07452 
1 1 1 -19 6   32 o 71.800  5.6799  649.456    98.145   611.825    119.514  727.392    171.994  68.881  7.2601  73.409  9.9092  -4.527885      12.28420 
1 1 1 -19 6   33 o 14.221  6.4324  -22.2541   47.519   -56.8536   54.242   91.943     98.544   13.430  6.3430  28.242  10.608  -14.81247      12.35984 
1 1 1 -19 6   34 o 15.811  6.9669  -9.7059    52.020   64.105     76.770   -72.3647   70.733   24.544  9.3300  15.281  7.2253  9.263220       11.80057 
1 1 1 -19 6   35 f 106.842 4.5407  1417.96    117.714  1270.84    163.743  1575.32    169.344  99.505  6.8232  111.271 6.2981  -11.76624      9.285533 
1 1 1 -19 6   36 o 51.122  6.0580  334.942    73.682   371.719    101.602  294.143    107.013  52.796  8.1971  45.928  9.8948  6.867447       12.84910 
1 1 1 -19 6   37 o 27.351  9.9023  92.901     84.536   -196.2400  172.149  184.781    97.042   22.150  10.684  36.029  10.474  -13.87918      14.96212 
1 1 1 -19 6   38 o 25.620  9.7521  73.975     83.945   15.342     170.767  92.658     96.396   28.178  12.509  27.793  10.481  0.3843422      16.31940 
1 1 1 -19 6   39 o 43.388  9.6032  265.773    98.426   123.224    195.613  314.098    113.894  33.495  14.110  46.794  10.309  -13.29935      17.47524 
1 1 1 -19 6   40 o 87.961  4.7333  973.425    100.652  929.870    138.980  1021.47    145.964  84.346  6.8500  88.416  6.8575  -4.069572      9.692639 
1 1 1 -19 6   41 o 44.084  6.5970  257.024    68.396   229.631    93.516   288.533    100.294  39.782  9.7612  44.916  9.4993  -5.134075      13.62051 
1 1 1 -19 6   42 o 19.788  7.9362  34.169     58.033   27.613     79.141   41.793     85.351   21.299  8.9740  22.787  9.4387  -1.487978      13.02389 
1 1 1 -19 6   43 o 27.315  8.3880  105.127    60.939   86.028     84.218   126.116    88.288   25.903  9.7900  29.490  10.169  -3.586819      14.11601 
1 1 1 -19 6   44 o 42.042  6.8025  239.110    67.023   242.510    94.511   235.670    95.062   40.243  9.7757  39.538  9.9242  0.7052841      13.93035 
1 1 1 -19 6   45 o 35.387  7.7292  176.810    64.508   130.588    94.117   217.762    88.590   29.490  10.475  38.006  9.6029  -8.515623      14.21065 
1 1 1 -19 6   46 o 17.270  7.4588  7.8714     57.129   93.896     76.925   -97.9264   85.309   25.919  9.4365  15.684  7.5547  10.23552       12.08808 
1 1 1 -19 6   47 o 20.908  9.0281  22.868     83.664   22.868     83.664   0.0000     0.0000   20.908  9.0281  ?       ?       0.000000       9.028119 
1 1 1 -19 6   48 o 29.205  9.7006  128.944    80.292   105.190    90.633   215.573    173.083  27.126  10.176  34.461  13.745  -7.334538      17.10248 
1 1 1 -19 6   49 o 10.978  5.4160  -102.0245  51.927   -172.2102  68.558   -7.5773    79.529   11.541  5.7786  18.801  8.4281  -7.259695      10.21887 
1 1 1 -19 6   50 o 16.017  7.1232  -6.9932    55.616   14.905     73.149   -36.9946   85.620   19.463  8.4231  18.001  8.3242  1.462269       11.84234 
1 1 1 -19 6   51 o 27.065  10.529  103.468    99.365   -300.9768  243.537  184.242    108.836  22.922  11.382  33.355  11.296  -10.43252      16.03594 
1 1 1 -19 6   52 o 19.339  8.8252  -16.7198   91.938   171.794    237.868  -49.8279   99.685   31.936  14.423  18.685  8.7540  13.25037       16.87176 
1 1 1 -19 7   1  o 115.532 5.8957  1638.62    164.723  1638.62    164.723  0.0000     0.0000   115.532 5.8957  ?       ?       0.000000       5.895721 
1 1 1 -19 7   2  o 122.418 5.8346  1834.60    173.310  1834.60    173.310  0.0000     0.0000   122.418 5.8346  ?       ?       0.000000       5.834624 
1 1 1 -19 7   3  o 91.283  4.1890  1015.60    92.783   1022.37    129.438  1008.44    133.068  91.200  5.8806  90.530  6.0932  0.6692886      8.468146 
1 1 1 -19 7   4  o 92.275  4.0198  1037.38    90.002   1089.77    131.935  991.783    123.090  94.188  5.8012  89.862  5.6744  4.325417       8.114959 
1 1 1 -19 7   5  o 127.900 4.2260  1993.85    131.148  2311.40    190.276  1706.47    181.012  137.446 5.7054  117.813 6.3556  19.63260       8.540831 
1 1 1 -19 7   6  o 116.089 4.2532  1642.71    119.805  1844.24    174.009  1461.09    165.193  122.749 5.8424  109.008 6.2720  13.74043       8.571542 
1 1 1 -19 7   7  o 139.087 6.4142  2372.21    216.469  2492.29    279.371  2191.80    342.430  141.880 8.1493  132.020 10.784  9.860291       13.51682 
1 1 1 -19 7   8  o 101.449 6.4649  1267.26    158.310  1424.15    199.432  999.961    260.305  107.247 7.7154  88.230  12.509  19.01617       14.69736 
1 1 1 -19 7   9  o 102.297 6.4189  1288.28    158.518  1254.98    199.416  1345.44    261.270  100.487 8.2516  103.304 10.572  -2.816666      13.41131 
1 1 1 -19 7   10 f 125.163 6.1867  1919.99    187.887  1772.15    239.860  2154.74    302.254  119.486 8.3253  131.359 9.5484  -11.87301      12.66813 
1 1 1 -19 7   11 o 113.241 4.3630  1563.76    119.882  1927.55    173.763  1233.32    165.607  125.497 5.7064  99.963  6.8694  25.53387       8.930394 
1 1 1 -19 7   12 o 70.055  6.4354  607.069    108.167  0.0000     0.0000   607.069    108.167  ?       ?       70.055  6.4354  0.000000       6.435431 
1 1 1 -19 7   13 o 119.104 10.087  1781.62    288.782  0.0000     0.0000   1781.62    288.782  ?       ?       119.104 10.087  0.000000       10.08743 
1 1 1 -19 7   14 o 134.241 6.0569  2209.38    197.289  0.0000     0.0000   2209.38    197.289  ?       ?       134.241 6.0569  0.000000       6.056945 
1 1 1 -19 7   15 o 82.068  4.4217  824.199    87.726   801.298    131.038  842.800    118.094  80.450  6.7760  82.713  5.9235  -2.263008      9.000073 
1 1 1 -19 7   16 o 75.920  4.2377  705.295    77.752   668.574    107.602  745.420    112.477  73.574  6.0820  77.729  6.0104  -4.155022      8.550796 
1 1 1 -19 7   17 o 56.218  7.7231  397.618    102.565  507.326    193.465  354.730    120.964  61.880  13.282  52.471  9.8631  9.408543       16.54396 
1 1 1 -19 7   18 o 22.373  9.2183  21.483     80.817   -162.0676  169.984  75.091     91.864   24.224  11.375  27.549  10.263  -3.324972      15.32050 
1 1 1 -19 7   19 o 102.878 6.1859  1306.23    153.697  1482.13    268.688  1220.68    187.382  108.015 10.380  98.918  7.8722  9.097084       13.02725 
1 1 1 -19 7   20 o 196.119 5.0509  4712.35    240.355  4634.88    340.891  4788.95    338.944  193.495 7.2608  196.771 7.0991  -3.276505      10.15460 
1 1 1 -19 7   21 o 87.737  4.2469  940.996    90.411   922.886    127.237  959.464    128.493  86.335  6.1133  88.055  6.0507  -1.719963      8.601353 
1 1 1 -19 7   22 o 42.693  5.6547  228.095    57.136   157.251    78.646   307.277    83.146   34.715  9.1918  49.274  7.1643  -14.55866      11.65405 
1 1 1 -19 7   23 o 48.960  5.1340  297.756    60.084   211.089    81.924   398.635    88.386   40.249  8.6464  56.353  6.5884  -16.10360      10.87047 
1 1 1 -19 7   24 o 47.081  5.2892  276.335    59.377   237.308    81.884   319.613    86.229   42.795  8.1840  50.117  7.3059  -7.321777      10.97059 
1 1 1 -19 7   25 o 59.610  4.5366  438.903    65.124   370.560    90.040   513.875    94.307   54.050  7.0321  64.080  6.1406  -10.02940      9.335810 
1 1 1 -19 7   26 o 75.521  4.3134  702.717    78.713   645.807    107.984  767.239    114.979  71.775  6.2632  78.339  6.0969  -6.563942      8.740699 
1 1 1 -19 7   27 o 177.480 4.8859  3888.22    210.407  3663.36    296.876  4115.16    298.249  170.590 7.1723  181.148 6.7855  -10.55858      9.873421 
1 1 1 -19 7   28 o 70.311  4.2838  610.696    72.734   595.920    98.932   628.078    107.300  68.872  5.9795  70.574  6.3335  -1.701790      8.710159 
1 1 1 -19 7   29 o 40.724  5.7282  210.584    55.038   214.922    71.673   204.351    85.919   40.526  7.5672  38.915  9.2376  1.610947       11.94134 
1 1 1 -19 7   30 o 47.607  6.6466  291.067    74.684   221.938    89.749   446.717    134.671  40.439  9.3358  57.420  10.031  -16.98100      13.70321 
1 1 1 -19 7   31 f 31.325  8.1056  131.472    62.080   164.602    71.278   27.383     126.341  34.944  8.4902  26.247  11.209  8.697470       14.06179 
1 1 1 -19 7   32 f 119.636 5.8150  1798.86    168.801  1667.78    212.776  2021.44    277.273  113.441 7.7771  123.233 9.3424  -9.792320      12.15583 
1 1 1 -19 7   33 o 77.360  4.2932  743.106    80.271   752.417    111.289  733.010    115.892  77.015  6.0028  75.809  6.3591  1.205833       8.744864 
1 1 1 -19 7   34 o 119.739 4.5859  1781.71    133.237  1807.58    185.308  1754.03    191.707  119.095 6.4365  117.005 6.7817  2.089561       9.349876 
1 1 1 -19 7   35 o 53.352  5.7421  362.521    73.164   312.822    100.143  419.419    107.151  47.961  8.9340  56.205  8.0902  -8.243252      12.05269 
1 1 1 -19 7   36 o 59.027  5.5772  442.487    78.932   454.154    105.853  427.874    118.463  58.722  7.6080  56.126  9.0029  2.595680       11.78703 
1 1 1 -19 7   37 o 14.533  6.9827  -93.2692   71.754   -287.4365  153.291  -38.7894   81.198   18.646  9.2182  18.089  8.2698  0.5569439      12.38408 
1 1 1 -19 7   38 o 27.405  9.9594  95.088     85.631   -39.1891   176.372  136.502    97.950   26.473  12.134  31.349  10.715  -4.876379      16.18821 
1 1 1 -19 7   39 o 72.936  5.0258  672.697    88.400   778.944    122.128  555.766    128.121  77.434  6.5618  63.950  8.4650  13.48458       10.71041 
1 1 1 -19 7   40 o 85.537  4.8768  924.698    100.798  977.357    139.489  867.149    145.822  86.440  6.7030  80.632  7.5409  5.808350       10.08936 
1 1 1 -19 7   41 o 31.335  8.2139  137.979    63.212   135.689    87.181   140.517    91.786   30.624  10.105  31.065  10.374  -0.4407578     14.48223 
1 1 1 -19 7   42 o 46.921  6.5710  293.032    72.758   323.851    97.399   254.121    109.443  47.872  8.7058  40.640  10.882  7.231636       13.93569 
1 1 1 -19 7   43 o 57.260  5.7701  428.078    79.074   381.276    106.094  486.568    118.604  51.755  8.7611  58.742  8.5738  -6.987225      12.25832 
1 1 1 -19 7   44 o 40.781  7.3135  229.767    69.709   252.115    99.027   207.814    98.146   40.615  10.093  36.452  10.515  4.162811       14.57519 
1 1 1 -19 7   45 o 26.444  8.5224  100.505    62.185   143.573    85.086   51.124     91.108   30.627  9.9771  23.285  9.7071  7.342068       13.92016 
1 1 1 -19 7   46 o 21.724  9.2431  34.075     85.325   34.075     85.325   0.0000     0.0000   21.724  9.2431  ?       ?       0.000000       9.243137 
1 1 1 -19 7   47 o 12.369  6.1363  -145.9484  70.157   -88.7335   79.565   -345.8731  148.731  15.275  7.3426  16.536  8.3107  -1.261147      11.08974 
1 1 1 -19 7   48 o 41.128  6.9507  232.648    66.891   202.046    92.879   265.627    96.417   35.891  10.190  41.791  9.6959  -5.900295      14.06574 
1 1 1 -19 7   49 o 17.733  7.5657  13.896     57.451   -10.8663   76.462   46.000     87.062   18.284  8.2248  22.621  9.4648  -4.336987      12.53910 
1 1 1 -19 7   50 o 20.495  9.1534  2.2952     92.882   124.539    228.574  -21.8822   101.652  31.040  14.068  20.135  9.2229  10.90520       16.82134 
1 1 1 -19 7   51 o 49.857  10.290  389.117    120.357  457.785    273.488  372.624    134.034  41.404  16.997  46.951  11.784  -5.546505      20.68211 
1 1 1 -19 7   52 o 19.423  8.8284  -9.9224    90.848   -155.8281  235.061  15.699     98.502   24.118  11.823  21.270  9.4682  2.848385       15.14733 
1 1 1 -19 8   1  o 75.108  6.2243  696.269    112.411  696.269    112.411  0.0000     0.0000   75.108  6.2243  ?       ?       0.000000       6.224294 
1 1 1 -19 8   2  o 142.409 4.4126  2473.44    152.473  2332.92    212.337  2623.01    219.080  137.918 6.3452  146.284 6.1722  -8.366257      8.851979 
1 1 1 -19 8   3  o 237.016 5.6413  6873.87    324.429  7584.16    458.166  6159.55    459.460  248.097 7.6109  223.169 8.4850  24.92853       11.39828 
1 1 1 -19 8   4  o 143.374 4.3348  2506.44    150.801  2669.76    215.105  2348.58    211.472  147.632 6.0049  138.401 6.2972  9.231033       8.701398 
1 1 1 -19 8   5  o 96.115  5.0217  1131.34    116.707  1193.21    138.892  982.741    215.264  98.557  5.8340  88.230  10.246  10.32649       11.79049 
1 1 1 -19 8   6  o 91.611  5.9689  1032.14    131.956  1143.53    172.314  874.189    205.190  96.099  7.4481  83.101  10.404  12.99818       12.79539 
1 1 1 -19 8   7  o 148.994 6.3215  2722.14    228.535  2837.33    301.495  2566.57    350.380  151.342 8.2413  143.150 10.153  8.191605       13.07711 
1 1 1 -19 8   8  o 254.881 8.6697  8041.57    536.172  8890.97    729.412  7043.09    790.831  266.164 11.294  234.495 13.962  31.66905       17.95848 
1 1 1 -19 8   9  o 135.350 4.9027  2237.11    161.012  2563.14    267.492  2051.87    201.630  144.002 7.6834  129.323 6.4256  14.67827       10.01612 
1 1 1 -19 8   10 o 73.583  4.4692  662.888    79.416   789.529    118.112  558.388    107.290  80.030  6.1290  67.111  6.6774  12.91837       9.063785 
1 1 1 -19 8   11 f 74.819  4.9860  686.834    89.997   853.033    157.880  606.836    109.536  82.759  7.9605  70.015  6.5227  12.74363       10.29149 
1 1 1 -19 8   12 o 49.828  14.782  326.549    191.598  0.0000     0.0000   326.549    191.598  ?       ?       49.828  14.782  0.000000       14.78244 
1 1 1 -19 8   13 o 117.515 6.1312  1698.30    174.218  0.0000     0.0000   1698.30    174.218  ?       ?       117.515 6.1312  0.000000       6.131188 
1 1 1 -19 8   14 o 117.922 4.3588  1696.71    124.716  1645.51    179.113  1744.90    173.759  115.575 6.4122  119.127 6.0310  -3.552040      8.802774 
1 1 1 -19 8   15 o 92.615  4.3468  1046.79    97.683   1113.62    139.887  983.185    136.465  95.068  6.0964  89.246  6.3432  5.822495       8.797836 
1 1 1 -19 8   16 o 45.348  8.4817  263.069    89.895   266.852    156.799  261.217    109.717  45.136  13.369  44.784  10.310  0.3518906      16.88276 
1 1 1 -19 8   17 o 77.674  6.3998  747.037    119.543  650.202    201.017  800.022    148.693  70.578  12.178  80.033  7.7542  -9.455032      14.43721 
1 1 1 -19 8   18 o 134.649 6.3498  2231.82    207.456  1917.84    329.940  2437.11    266.792  122.515 11.224  139.952 7.8887  -17.43687      13.71869 
1 1 1 -19 8   19 o 121.053 4.3197  1790.73    126.879  1671.42    179.219  1910.61    179.651  116.292 6.3757  124.640 5.9403  -8.347816      8.714176 
1 1 1 -19 8   20 o ?       ?       -152.6473  36.953   -120.3186  46.250   -209.7246  61.453   9.7377  4.8556  10.110  5.1114  -0.3718958     7.050003 
1 1 1 -19 8   21 o 102.499 4.2082  1284.96    104.659  1155.51    147.270  1417.06    148.763  96.516  6.3235  107.120 5.7444  -10.60429      8.543139 
1 1 1 -19 8   22 o 59.751  4.5982  440.237    66.154   382.004    89.899   509.011    97.697   55.068  6.8781  63.823  6.3948  -8.754707      9.391567 
1 1 1 -19 8   23 o 23.852  7.4004  71.067     47.296   87.756     63.514   50.294     70.859   26.633  8.6161  23.400  8.9471  3.233406       12.42130 
1 1 1 -19 8   24 o 19.040  7.1663  34.316     45.018   58.901     58.225   -2.2262    70.985   23.068  8.2342  19.313  8.3279  3.754280       11.71132 
1 1 1 -19 8   25 o 103.490 4.2257  1314.71    106.111  1178.99    149.055  1454.17    151.094  97.096  6.3619  108.148 5.7788  -11.05217      8.594703 
1 1 1 -19 8   26 o 26.138  7.1972  88.728     47.094   67.914     61.694   117.791    72.902   24.196  8.4920  30.066  9.1639  -5.869869      12.49363 
1 1 1 -19 8   27 o 106.241 4.2387  1388.86    109.266  1285.11    154.050  1493.90    155.005  101.161 6.3075  109.343 5.8638  -8.181946      8.612080 
1 1 1 -19 8   28 o 77.689  4.4201  746.828    82.976   825.657    116.893  666.764    117.805  81.056  5.9858  72.436  6.7815  8.619293       9.045392 
1 1 1 -19 8   29 o 39.008  5.8913  194.355    54.023   185.073    72.419   206.000    81.118   37.254  8.2309  39.155  8.7576  -1.900650      12.01846 
1 1 1 -19 8   30 o 94.129  5.7521  1114.04    130.744  1135.82    162.620  1074.21    219.867  94.144  7.1730  89.043  10.371  5.100975       12.60964 
1 1 1 -19 8   31 o 98.716  5.6577  1225.84    134.950  1117.66    167.111  1428.64    228.805  93.030  7.4661  103.683 9.1901  -10.65242      11.84057 
1 1 1 -19 8   32 o 58.421  4.8811  427.739    68.557   307.472    92.665   573.174    101.900  48.026  8.2492  66.992  6.3445  -18.96611      10.40677 
1 1 1 -19 8   33 o 70.295  4.9489  619.231    83.872   563.341    115.092  682.524    122.477  65.798  7.3337  72.675  7.0335  -6.876808      10.16136 
1 1 1 -19 8   34 o 29.793  8.4096  120.370    63.451   79.024     89.350   162.434    90.122   26.527  10.070  34.080  10.145  -7.553354      14.29387 
1 1 1 -19 8   35 o 71.787  4.9277  646.784    85.312   690.866    117.119  596.955    124.521  73.217  6.6655  67.327  7.7646  5.889618       10.23321 
1 1 1 -19 8   36 o 26.666  10.058  83.021     88.782   152.761    169.418  56.619     104.242  34.456  13.644  25.763  10.525  8.692936       17.23225 
1 1 1 -19 8   37 o 22.902  9.3652  40.708     82.628   52.112     180.451  37.683     92.944   30.015  13.107  23.575  9.8143  6.439720       16.37401 
1 1 1 -19 8   38 o 82.990  5.1090  870.815    102.379  889.760    132.278  842.513    161.679  82.756  6.6436  78.812  8.5939  3.943268       10.86245 
1 1 1 -19 8   39 o 32.992  8.0642  150.913    64.011   185.870    88.072   111.769    93.197   35.791  9.8371  28.801  10.402  6.990398       14.31665 
1 1 1 -19 8   40 o 20.863  8.2248  42.314     61.303   84.631     81.669   -12.3042   92.783   25.910  9.6718  20.361  9.1171  5.548540       13.29159 
1 1 1 -19 8   41 o 56.509  5.7595  414.828    77.866   366.706    105.101  473.381    115.934  50.956  8.8199  58.342  8.4345  -7.385807      12.20376 
1 1 1 -19 8   42 o 28.125  8.6280  113.073    64.495   106.680    85.875   121.345    97.680   27.613  9.9830  29.063  10.626  -1.449198      14.57956 
1 1 1 -19 8   43 o 22.206  8.3437  60.041     60.974   -2.0399    84.082   128.899    88.553   19.681  8.7552  29.418  10.182  -9.736853      13.42888 
1 1 1 -19 8   44 o 54.082  5.8910  386.277    76.055   343.779    104.784  433.594    110.565  48.257  9.2859  55.026  8.5593  -6.768818      12.62893 
1 1 1 -19 8   45 o 37.232  10.478  220.067    98.654   220.067    98.654   0.0000     0.0000   37.232  10.478  ?       ?       0.000000       10.47796 
1 1 1 -19 8   46 o 59.829  7.5139  497.356    106.674  420.571    123.478  723.286    211.804  52.464  10.066  63.053  14.187  -10.58969      17.39533 
1 1 1 -19 8   47 f 42.351  7.0023  247.156    69.441   214.743    95.123   284.138    101.607  36.919  10.253  42.991  9.9393  -6.071491      14.28002 
1 1 1 -19 8   48 o 20.880  8.1310  48.954     59.301   39.238     82.696   59.239     85.084   21.854  9.1887  23.388  9.5265  -1.533838      13.23579 
1 1 1 -19 8   49 o 14.850  7.0844  -70.8255   71.055   -235.9654  261.184  -57.6263   73.840   24.671  12.166  15.733  7.4216  8.938190       14.25139 
1 1 1 -19 8   50 o 41.367  11.277  284.582    116.297  562.440    307.262  238.121    125.644  43.888  18.016  36.784  12.131  7.104168       21.71949 
1 1 1 -19 8   51 o 19.085  8.8236  -29.3717   96.129   660.217    288.748  -115.3280  101.944  47.775  18.110  16.705  8.0988  31.06950       19.83871 
1 1 1 -19 9   1  o 79.614  4.5857  776.062    88.211   906.344    124.445  644.496    125.057  85.792  6.0162  72.005  7.2568  13.78710       9.426314 
1 1 1 -19 9   2  o 66.417  5.0814  542.107    81.268   668.941    116.226  420.774    113.677  73.528  6.5843  57.772  8.3519  15.75621       10.63521 
1 1 1 -19 9   3  o 98.009  4.1735  1170.99    99.249   1323.14    145.104  1037.24    136.051  103.795 5.7845  91.785  6.1444  12.00967       8.438849 
1 1 1 -19 9   4  o 68.502  6.4488  580.730    105.925  598.806    136.616  553.484    167.726  69.131  8.3110  65.685  10.906  3.446564       13.71203 
1 1 1 -19 9   5  o 54.933  7.3381  377.791    95.365   558.599    125.538  131.085    146.641  66.844  7.8924  35.349  13.005  31.49558       15.21208 
1 1 1 -19 9   6  o 36.903  8.8603  175.387    78.335   205.250    102.358  133.172    121.699  39.813  10.460  34.136  11.930  5.677361       15.86622 
1 1 1 -19 9   7  o 90.127  6.0688  999.896    131.943  1104.51    172.257  851.393    205.239  94.374  7.5866  81.897  10.575  12.47673       13.01514 
1 1 1 -19 9   8  o 57.406  4.7338  404.992    65.349   482.682    104.948  355.795    83.515   62.258  7.0728  53.444  6.5792  8.814224       9.659716 
1 1 1 -19 9   9  o 59.429  6.2037  437.688    88.138   329.389    154.387  490.051    107.351  50.033  12.696  62.708  7.1851  -12.67413      14.58829 
1 1 1 -19 9   10 o 41.144  5.7473  211.215    55.809   241.054    93.782   194.854    69.444   43.268  9.2152  39.113  7.5910  4.154854       11.93915 
1 1 1 -19 9   11 o 154.123 10.542  2988.03    391.863  0.0000     0.0000   2988.03    391.863  ?       ?       154.123 10.542  0.000000       10.54188 
1 1 1 -19 9   12 o 130.907 6.2502  2103.37    198.528  0.0000     0.0000   2103.37    198.528  ?       ?       130.907 6.2502  0.000000       6.250221 
1 1 1 -19 9   13 o 202.013 5.9637  5005.31    292.320  5286.80    534.401  4885.12    349.194  204.851 10.789  199.066 7.2295  5.785095       12.98755 
1 1 1 -19 9   14 o 227.116 5.4686  6317.67    301.364  6338.71    426.368  6296.66    426.017  226.410 7.7611  225.647 7.7810  0.7631531      10.98994 
1 1 1 -19 9   15 o 141.647 6.3663  2466.98    218.805  2316.91    342.462  2570.50    284.431  135.367 10.509  143.748 8.1887  -8.380783      13.32249 
1 1 1 -19 9   16 o 97.305  6.1451  1168.26    144.342  1011.34    237.195  1260.55    181.899  88.746  11.269  100.688 7.4992  -11.94125      13.53640 
1 1 1 -19 9   17 o 114.622 6.1384  1620.52    170.100  1559.61    275.534  1658.03    216.223  110.776 10.372  115.382 7.7685  -4.605743      12.95843 
1 1 1 -19 9   18 o 105.073 4.2516  1348.96    108.394  1298.62    151.941  1401.12    154.679  102.526 6.1359  106.548 6.0076  -4.021400      8.587172 
1 1 1 -19 9   19 o 12.202  5.7190  -42.7882   42.612   -55.3894   55.123   -24.0753   67.174   13.846  6.4942  17.512  7.8053  -3.665346      10.15369 
1 1 1 -19 9   20 f 27.561  7.3605  97.748     50.152   28.789     66.491   188.754    76.384   21.156  8.4912  38.110  8.4791  -16.95417      11.99985 
1 1 1 -19 9   21 o 33.659  6.6486  145.143    52.373   150.341    70.526   138.752    78.202   33.936  8.5646  32.675  9.3749  1.260780       12.69801 
1 1 1 -19 9   22 o 41.363  5.8420  215.382    57.001   234.740    78.442   193.724    82.970   42.651  7.8697  38.376  9.0564  4.275337       11.99793 
1 1 1 -19 9   23 o 84.174  4.2340  871.008    86.199   849.165    122.025  892.763    121.781  82.516  6.1386  84.682  5.9650  -2.165421      8.559408 
1 1 1 -19 9   24 o 81.257  4.2844  812.922    84.174   692.956    117.685  938.577    120.444  74.247  6.6014  86.835  5.7490  -12.58820      8.753765 
1 1 1 -19 9   25 o 93.938  4.2351  1084.45    96.532   1048.03    136.819  1120.56    136.216  91.488  6.2000  94.725  5.9568  -3.237823      8.597884 
1 1 1 -19 9   26 o 90.265  4.2442  1002.56    92.956   966.299    129.900  1040.61    133.076  87.754  6.1393  91.122  6.0533  -3.367729      8.621713 
1 1 1 -19 9   27 o 85.038  4.3641  893.863    89.744   797.939    125.742  993.458    128.125  79.395  6.5866  88.961  5.9703  -9.566330      8.889753 
1 1 1 -19 9   28 o 36.141  6.4757  169.014    54.702   188.155    73.918   145.840    81.333   37.539  8.3328  32.858  9.5996  4.680847       12.71167 
1 1 1 -19 9   29 o 24.730  8.1535  77.135     56.762   36.516     65.509   199.498    113.700  21.297  8.4684  37.697  11.434  -16.39996      14.22865 
1 1 1 -19 9   30 o 36.349  7.6038  175.510    64.908   181.359    75.838   159.493    125.502  36.572  8.6769  34.407  12.110  2.165749       14.89733 
1 1 1 -19 9   31 o 82.639  5.8691  864.045    116.919  900.515    142.417  788.653    204.768  83.600  7.0876  74.656  11.687  8.944031       13.66860 
1 1 1 -19 9   32 o 78.935  4.8873  779.546    93.146   870.881    128.482  678.359    135.234  82.532  6.4676  71.898  7.8810  10.63389       10.19513 
1 1 1 -19 9   33 f 51.699  5.9909  342.041    73.759   397.803    103.159  283.716    105.503  54.765  7.9991  45.081  9.9148  9.684322       12.73931 
1 1 1 -19 9   34 o 66.086  5.2724  551.214    83.841   503.465    117.638  600.505    119.521  61.588  8.0660  67.778  7.3872  -6.190426      10.93760 
1 1 1 -19 9   35 o 81.782  6.9657  867.571    136.908  2528.16    274.884  319.749    157.884  138.207 8.2343  45.356  13.410  92.85095       15.73652 
1 1 1 -19 9   36 o 24.538  9.8980  54.288     90.840   -57.1734   205.953  81.209     101.218  27.828  12.883  27.125  10.606  0.7031345      16.68746 
1 1 1 -19 9   37 o 61.274  8.0506  504.698    116.796  600.384    250.490  478.116    132.026  57.662  16.847  58.436  9.6481  -0.7744293     19.41384 
1 1 1 -19 9   38 o 62.244  5.4806  495.637    81.929   509.764    114.170  480.638    117.640  61.557  7.8203  59.315  8.4093  2.241936       11.48357 
1 1 1 -19 9   39 o 38.695  7.6139  204.841    68.941   206.343    96.198   203.255    98.850   37.274  10.296  36.863  10.529  0.4109840      14.72601 
1 1 1 -19 9   40 o 29.417  8.6634  123.153    66.009   72.324     95.403   169.832    91.426   25.503  10.194  33.687  10.261  -8.184628      14.46401 
1 1 1 -19 9   41 f 24.874  8.7135  83.267     64.939   77.703     88.199   89.854     95.969   25.347  9.9036  26.607  10.349  -1.259577      14.32387 
1 1 1 -19 9   42 f 25.015  8.6209  86.183     63.442   133.150    89.233   38.176     90.215   29.830  10.227  22.572  9.5496  7.258430       13.99263 
1 1 1 -19 9   43 o 18.441  7.8153  18.043     60.592   -56.3992   81.934   107.896    90.016   16.819  7.8978  27.448  10.172  -10.62910      12.87821 
1 1 1 -19 9   44 o 15.389  7.0339  -23.9629   58.695   15.121     79.221   -71.5270   87.394   20.031  8.7171  16.797  7.9681  3.234245       11.81010 
1 1 1 -19 9   45 o 16.051  7.7127  -92.8586   87.588   -92.8586   87.588   0.0000     0.0000   16.051  7.7127  ?       ?       0.000000       7.712661 
1 1 1 -19 9   46 o 34.068  10.059  182.206    88.890   161.175    99.650   264.117    196.661  31.696  10.808  36.305  14.592  -4.608948      18.15892 
1 1 1 -19 9   47 o 30.080  8.5333  133.435    65.161   102.912    94.778   160.793    89.731   26.980  10.340  31.994  10.230  -5.014174      14.54526 
1 1 1 -19 9   48 o 21.035  8.2344  49.644     61.062   -15.1658   82.814   126.861    90.394   18.683  8.4673  28.859  10.264  -10.17632      13.30595 
1 1 1 -19 9   49 o 48.667  10.026  365.603    114.453  -185.9151  326.922  442.642    122.186  27.372  13.519  54.079  9.6664  -26.70742      16.61944 
1 1 1 -19 9   50 o 16.375  7.7503  -61.6005   81.762   -105.2096  276.249  -57.4136   85.597   26.601  12.993  16.957  7.9965  9.644033       15.25660 
1 1 1 -19 10  1  o 72.999  4.6823  653.254    82.498   635.191    117.485  670.824    115.871  71.557  6.8503  73.620  6.5551  -2.063484      9.481358 
1 1 1 -19 10  2  o 30.338  6.7648  117.501    48.529   194.004    88.118   84.198     58.140   38.740  9.4569  26.198  8.2177  12.54209       12.52853 
1 1 1 -19 10  3  o 37.414  10.349  180.449    97.109   160.902    130.748  204.497    145.025  36.638  12.381  40.405  13.014  -3.766792      17.96255 
1 1 1 -19 10  4  o 82.602  6.8510  844.406    136.074  973.463    179.140  668.377    209.216  88.296  8.4653  71.742  12.471  16.55389       15.07302 
1 1 1 -19 10  5  o 97.258  5.9954  1163.63    140.794  969.651    180.505  1465.01    224.991  88.096  8.5522  108.421 8.6237  -20.32508      12.14529 
1 1 1 -19 10  6  o 29.865  9.2685  110.679    74.181   78.097     97.344   155.807    114.563  28.293  10.560  35.602  11.576  -7.309772      15.66882 
1 1 1 -19 10  7  o 8.2754  4.1344  -92.8473   34.239   -102.5330  75.368   -90.3286   38.434   15.137  7.2417  9.2228  4.5696  5.913783       8.562921 
1 1 1 -19 10  8  o 54.666  4.7339  367.606    62.172   273.133    103.897  420.306    77.599   46.021  9.6142  58.341  5.5485  -12.31963      11.10038 
1 1 1 -19 10  9  o 49.299  5.1412  300.315    60.595   367.470    101.614  263.256    75.485   53.976  8.0010  45.743  7.0256  8.232658       10.64775 
1 1 1 -19 10  10 o 79.575  9.9610  802.266    188.115  0.0000     0.0000   802.266    188.115  ?       ?       79.575  9.9610  0.000000       9.961007 
1 1 1 -19 10  11 o 117.007 9.5085  1717.46    267.618  0.0000     0.0000   1717.46    267.618  ?       ?       117.007 9.5085  0.000000       9.508533 
1 1 1 -19 10  12 o 100.351 6.1474  1240.85    148.964  0.0000     0.0000   1240.85    148.964  ?       ?       100.351 6.1474  0.000000       6.147409 
1 1 1 -19 10  13 o 46.092  8.2120  270.823    88.475   288.120    180.001  265.312    101.594  46.901  14.418  45.293  9.5454  1.608692       17.29172 
1 1 1 -19 10  14 o 157.476 6.4966  3051.87    248.237  3105.98    390.574  3015.19    321.533  156.880 10.318  155.503 8.5545  1.377716       13.40312 
1 1 1 -19 10  15 o 114.194 6.1612  1607.98    170.085  1447.55    277.203  1704.84    215.395  106.521 10.878  117.101 7.6223  -10.57946      13.28241 
1 1 1 -19 10  16 o 56.457  7.4461  401.128    99.514   296.046    172.318  453.711    121.895  47.164  14.025  59.748  8.6606  -12.58480      16.48359 
1 1 1 -19 10  17 o 44.621  5.6446  248.380    59.746   222.007    77.161   287.865    94.415   41.606  7.9328  47.357  8.5305  -5.750557      11.64894 
1 1 1 -19 10  18 o 19.737  7.4774  35.356     49.204   18.830     61.910   63.697     81.073   19.783  8.0999  25.599  9.6206  -5.816135      12.57632 
1 1 1 -19 10  19 o 85.373  4.1734  891.476    86.451   812.151    119.539  978.455    125.174  80.886  6.1365  88.916  5.8343  -8.029663      8.467360 
1 1 1 -19 10  20 o 59.359  4.7029  434.906    67.180   347.835    91.819   535.216    98.553   52.334  7.4403  65.481  6.2798  -13.14729      9.736228 
1 1 1 -19 10  21 o 128.705 4.2813  2030.17    133.702  1940.50    187.853  2122.22    190.337  125.144 6.1865  130.958 5.9900  -5.814026      8.611185 
1 1 1 -19 10  22 o 118.929 4.2549  1734.86    122.784  1666.78    172.195  1805.29    175.129  115.734 6.1540  120.679 5.9809  -4.945160      8.581526 
1 1 1 -19 10  23 o 69.524  4.4133  596.289    74.064   599.480    101.376  592.635    108.468  69.195  6.1004  68.619  6.5960  0.5767899      8.984588 
1 1 1 -19 10  24 o 100.696 4.1944  1245.84    102.481  1231.38    145.573  1260.06    144.295  99.255  6.0738  100.470 5.9455  -1.214378      8.499418 
1 1 1 -19 10  25 o 48.164  5.2215  290.628    60.044   275.979    81.538   307.982    88.748   46.150  7.5422  48.718  7.7685  -2.568363      10.82751 
1 1 1 -19 10  26 o 113.265 4.3016  1581.13    118.220  1520.45    166.065  1643.48    168.334  109.962 6.2499  114.441 6.0840  -4.479027      8.722151 
1 1 1 -19 10  27 o 25.880  7.5233  87.551     50.067   104.714    64.716   61.966     79.016   28.237  8.6395  24.736  9.4505  3.500034       12.80442 
1 1 1 -19 10  28 o 40.269  7.3740  212.823    69.396   190.829    80.013   279.595    139.414  37.522  8.9195  43.928  12.489  -6.405884      15.34687 
1 1 1 -19 10  29 o 39.563  7.4497  206.506    68.890   292.872    79.517   -53.3959   137.939  47.435  7.1291  23.628  10.793  23.80776       12.93494 
1 1 1 -19 10  30 o 93.941  5.7807  1114.22    131.124  1078.61    160.120  1186.71    228.469  91.387  7.2814  93.203  10.273  -1.815361      12.59205 
1 1 1 -19 10  31 o 32.765  7.5884  143.894    59.143   69.096     88.628   203.941    79.409   25.736  9.9629  38.686  8.6738  -12.95065      13.20963 
1 1 1 -19 10  32 o 75.953  5.0178  723.895    91.954   682.260    128.907  767.030    131.207  72.308  7.4541  76.942  7.1083  -4.633804      10.30010 
1 1 1 -19 10  33 o 77.032  5.0844  745.958    94.500   856.673    133.389  634.398    133.898  81.478  6.8095  69.166  8.1338  12.31175       10.60794 
1 1 1 -19 10  34 o 41.053  7.2618  223.603    69.690   251.595    97.555   194.431    99.588   42.325  9.7062  36.802  10.585  5.522316       14.36169 
1 1 1 -19 10  35 f 38.842  10.151  216.223    96.728   200.056    233.607  219.568    106.266  37.904  15.651  38.796  10.859  -0.8925629     19.04937 
1 1 1 -19 10  36 f 16.911  7.9775  -75.9260   85.317   -0.0002    216.544  -89.8779   92.826   29.834  13.587  17.301  8.2086  12.53300       15.87417 
1 1 1 -19 10  37 o 35.161  7.9327  170.142    66.067   159.499    92.597   181.180    94.293   33.138  10.367  35.176  10.353  -2.037918      14.65128 
1 1 1 -19 10  38 o 53.237  6.2995  371.006    79.796   400.300    111.289  340.010    114.477  53.523  8.8807  48.330  10.088  5.192738       13.44000 
1 1 1 -19 10  39 o 17.858  7.7513  3.8363     62.314   -41.2406   84.754   56.873     91.933   18.054  8.3253  24.244  9.8920  -6.189648      12.92912 
1 1 1 -19 10  40 o 20.481  8.2337  38.517     62.628   93.841     85.436   -25.7374   92.074   26.549  9.8959  19.446  8.8577  7.102451       13.28108 
1 1 1 -19 10  41 o 36.909  7.8756  192.027    68.382   131.569    95.790   254.855    97.650   29.720  10.567  41.104  9.9071  -11.38479      14.48460 
1 1 1 -19 10  42 o 18.371  7.9203  11.590     64.188   12.506     90.877   10.678     90.675   21.001  9.2324  20.884  9.2003  0.1171837      13.03391 
1 1 1 -19 10  43 o 28.199  8.8731  117.479    67.724   154.926    91.717   72.581     100.429  31.419  10.365  25.086  10.299  6.333546       14.61148 
1 1 1 -19 10  44 o 26.627  10.319  98.882     95.143   98.882     95.143   0.0000     0.0000   26.627  10.319  ?       ?       0.000000       10.31851 
1 1 1 -19 10  45 o 35.942  10.628  208.536    99.167   227.615    108.971  116.599    239.214  37.060  11.183  30.889  14.148  6.171143       18.03461 
1 1 1 -19 10  46 o 20.673  8.2212  45.232     61.747   69.740     86.099   19.278     88.601   24.126  9.6698  21.027  9.1830  3.098602       13.33540 
1 1 1 -19 10  47 o 20.908  8.0765  50.546     58.146   20.420     83.102   79.440     81.387   20.643  8.9557  24.673  9.5484  -4.029867      13.09113 
1 1 1 -19 10  48 o 31.732  11.151  165.074    106.387  292.584    290.776  145.367    114.313  35.830  16.085  30.153  11.403  5.677704       19.71715 
1 1 1 -19 10  49 o 20.110  8.9119  9.3184     86.321   -129.8877  281.054  23.817     90.705   26.443  12.956  21.257  9.2872  5.186287       15.94074 
1 1 1 -19 10  50 o 35.592  11.014  217.603    104.841  203.016    305.123  219.555    111.638  32.066  15.114  35.299  11.423  -3.233086      18.94557 
1 1 1 -19 11  1  o 18.166  8.3048  -52.9289   81.882   133.136    117.375  -229.3187  114.283  33.856  11.723  16.632  8.1716  17.22450       14.28982 
1 1 1 -19 11  2  o 103.796 6.5545  1328.93    164.228  1660.56    215.601  870.539    253.477  115.719 7.7230  81.712  13.238  34.00751       15.32569 
1 1 1 -19 11  3  o 79.148  7.0733  777.186    134.409  1066.25    178.821  401.792    203.781  92.530  8.0448  54.814  14.921  37.71532       16.95184 
1 1 1 -19 11  4  o 19.943  8.7552  -18.2115   81.476   -151.3251  112.432  128.999    118.236  18.455  8.8336  33.586  11.758  -15.13083      14.70646 
1 1 1 -19 11  5  o 86.081  4.9031  908.315    101.987  1223.49    187.918  776.722    121.426  99.215  7.8706  79.289  6.3651  19.92536       10.12233 
1 1 1 -19 11  6  o 101.875 4.3303  1266.21    107.041  1393.57    157.159  1156.02    146.193  106.410 6.1125  96.853  6.2543  9.557945       8.745199 
1 1 1 -19 11  7  o 25.084  6.5817  80.142     40.561   -77.5748   78.564   137.455    47.360   16.586  7.7707  32.956  6.1488  -16.37030      9.909218 
1 1 1 -19 11  8  o 81.180  4.2722  806.190    83.856   930.901    126.491  708.407    112.005  86.909  6.0358  75.735  6.1481  11.17377       8.615684 
1 1 1 -19 11  9  o 80.504  10.029  822.120    191.660  0.0000     0.0000   822.120    191.660  ?       ?       80.504  10.029  0.000000       10.02937 
1 1 1 -19 11  10 o 99.731  5.8741  1224.07    141.519  0.0000     0.0000   1224.07    141.519  ?       ?       99.731  5.8741  0.000000       5.874140 
1 1 1 -19 11  11 o 54.237  6.9090  368.006    88.858   0.0000     0.0000   368.006    88.858   ?       ?       54.237  6.9090  0.000000       6.909019 
1 1 1 -19 11  12 o 76.718  6.3469  728.518    117.085  678.954    212.724  750.060    140.240  71.992  12.639  77.538  7.5498  -5.546593      14.72214 
1 1 1 -19 11  13 o 76.044  6.2883  715.954    114.986  740.338    203.461  704.511    139.379  75.666  11.439  75.036  7.7678  0.6305161      13.82706 
1 1 1 -19 11  14 o 102.440 6.0914  1294.88    150.726  1144.76    254.156  1376.32    187.198  94.357  11.327  105.218 7.3791  -10.86049      13.51887 
1 1 1 -19 11  15 o 152.174 6.4111  2854.33    236.721  2982.95    373.035  2767.62    306.292  153.514 10.071  148.728 8.5230  4.786240       13.19306 
1 1 1 -19 11  16 o 89.642  4.2024  982.035    91.407   889.492    124.866  1088.89    134.172  84.762  6.1123  93.880  5.9204  -9.118263      8.509499 
1 1 1 -19 11  17 o 16.318  6.8002  7.7919     44.687   -15.6115   53.865   59.459     80.035   15.968  7.0599  25.137  9.5333  -9.169662      11.86279 
1 1 1 -19 11  18 o 134.283 4.3450  2207.48    141.570  2099.34    196.886  2323.25    203.708  130.337 6.2256  137.153 6.1212  -6.816208      8.730860 
1 1 1 -19 11  19 o 97.437  4.1730  1162.26    98.660   1066.75    134.187  1274.65    145.558  92.723  5.9964  101.408 5.9415  -8.685249      8.441469 
1 1 1 -19 11  20 o 174.732 4.7568  3751.53    201.674  3515.44    284.266  3990.78    286.163  167.926 6.9766  179.184 6.5819  -11.25780      9.591364 
1 1 1 -19 11  21 o 79.242  4.2747  772.552    81.886   690.206    112.627  864.894    119.267  74.272  6.3094  83.335  5.9372  -9.063133      8.663622 
1 1 1 -19 11  22 o 66.688  4.5308  549.394    72.879   648.577    100.285  438.394    106.092  72.095  5.7815  58.536  7.6527  13.55853       9.591129 
1 1 1 -19 11  23 o 15.328  6.6915  -7.1766    47.005   -13.1667   54.692   9.7520     91.943   16.150  7.1284  22.454  9.5753  -6.304291      11.93737 
1 1 1 -19 11  24 o 27.487  7.1181  98.859     47.851   101.917    62.762   94.615     73.948   28.000  8.4957  27.589  9.3110  0.4110489      12.60445 
1 1 1 -19 11  25 o 24.522  7.4834  77.233     48.594   85.268     63.653   66.008     75.235   26.072  8.6361  24.865  9.2828  1.207243       12.67885 
1 1 1 -19 11  26 o 95.356  4.3196  1122.30    99.944   1103.77    140.381  1141.34    142.325  93.529  6.2214  95.125  6.2002  -1.596191      8.783359 
1 1 1 -19 11  27 o 22.508  8.1222  57.453     56.807   56.314     64.199   61.560     121.936  22.979  8.5757  27.800  11.373  -4.821512      14.24414 
1 1 1 -19 11  28 o 78.559  5.8450  779.691    110.618  801.683    133.208  730.836    198.541  78.982  7.0242  71.947  11.781  7.034172       13.71588 
1 1 1 -19 11  29 o 61.886  6.1518  488.446    91.151   521.400    107.529  404.301    171.824  63.458  7.1055  51.693  13.538  11.76443       15.28957 
1 1 1 -19 11  30 o 83.925  4.3600  875.720    88.479   822.270    124.196  930.804    126.080  80.182  6.4379  85.548  6.1143  -5.366127      8.878726 
1 1 1 -19 11  31 o 64.394  5.0645  521.576    78.493   538.183    112.871  506.022    109.231  64.182  7.3823  62.216  7.3796  1.965698       10.43820 
1 1 1 -19 11  32 o 31.414  8.2782  134.593    63.986   192.136    89.474   74.362     91.540   36.951  9.8139  26.219  10.132  10.73207       14.10575 
1 1 1 -19 11  33 o 27.425  8.4274  101.219    61.501   -71.6967   86.919   274.586    87.033   17.369  8.1490  45.067  8.2636  -27.69847      11.60574 
1 1 1 -19 11  34 o 35.433  10.528  180.805    97.134   -251.0032  214.558  292.119    108.937  23.927  11.634  45.267  10.167  -21.33974      15.45039 
1 1 1 -19 11  35 o 21.696  9.3323  14.881     88.702   44.598     204.460  7.9904     98.449   30.694  13.653  22.228  9.6944  8.465914       16.74512 
1 1 1 -19 11  36 f 25.890  8.6771  89.355     64.218   -8.6369    90.007   190.960    91.651   20.415  9.0711  36.228  10.065  -15.81325      13.54982 
1 1 1 -19 11  37 o 20.930  8.2870  41.550     62.485   31.209     85.440   53.440     91.616   22.189  9.3354  24.157  9.8679  -1.967752      13.58398 
1 1 1 -19 11  38 o 49.076  6.3526  317.644    73.871   325.435    103.163  309.445    105.828  47.685  9.2499  46.064  9.7712  1.620811       13.45500 
1 1 1 -19 11  39 o 28.010  8.5671  111.599    63.642   153.274    89.262   68.510     90.763   31.964  10.201  24.830  9.9367  7.134304       14.24081 
1 1 1 -19 11  40 o 21.274  8.2647  49.809     61.154   63.979     86.045   35.345     86.933   24.067  9.6596  22.170  9.3766  1.897348       13.46206 
1 1 1 -19 11  41 o 20.666  8.2759  42.569     63.005   -2.5362    86.458   93.649     92.006   19.807  8.8397  26.386  10.169  -6.578707      13.47380 
1 1 1 -19 11  42 o 21.580  8.6754  48.741     69.525   22.734     95.146   78.537     101.841  21.788  9.5157  25.525  10.413  -3.736874      14.10578 
1 1 1 -19 11  43 o 19.825  9.0279  -16.0030   95.575   -16.0030   95.575   0.0000     0.0000   19.825  9.0279  ?       ?       0.000000       9.027922 
1 1 1 -19 11  44 o 34.563  10.351  191.072    93.616   168.281    103.617  292.323    218.401  32.088  11.020  36.881  15.170  -4.792889      18.75015 
1 1 1 -19 11  45 o 21.715  8.3728  56.559     62.402   70.847     87.554   41.808     88.963   24.230  9.7373  22.354  9.4716  1.876726       13.58404 
1 1 1 -19 11  46 o 17.328  7.5078  7.8380     58.256   -18.4730   81.471   35.366     83.333   18.355  8.3497  21.566  9.1541  -3.210627      12.39006 
1 1 1 -19 11  47 o 27.490  10.333  111.748    93.531   286.381    282.067  90.175     99.140   35.706  15.949  26.025  10.396  9.681036       19.03777 
1 1 1 -19 11  48 o 18.161  8.4372  -38.1168   89.492   -240.9852  275.774  -14.2382   94.613   24.735  12.253  19.679  8.9696  5.056166       15.18514 
1 1 1 -19 11  49 o 20.648  9.2502  8.2776     95.633   40.250     307.776  4.8608     100.614  29.241  14.150  20.861  9.4047  8.379337       16.99024 
1 1 1 -19 12  1  o 21.391  8.8697  16.328     75.481   37.889     106.620  -5.3352    106.873  26.211  10.669  23.699  10.219  2.511890       14.77321 
1 1 1 -19 12  2  o 71.163  6.7816  628.629    115.681  725.619    157.568  515.227    170.378  75.980  8.7038  62.977  11.576  13.00342       14.48347 
1 1 1 -19 12  3  o 51.350  8.5274  335.262    102.522  330.436    135.383  341.750    156.978  50.251  11.369  50.838  12.749  -0.5871735     17.08189 
1 1 1 -19 12  4  o 34.624  6.8238  152.525    55.290   208.327    95.293   124.206    67.885   40.060  9.8681  31.166  8.6640  8.894848       13.13182 
1 1 1 -19 12  5  o 72.335  4.9225  642.507    85.883   741.690    120.297  539.403    122.651  77.424  6.4626  65.605  7.8616  11.81902       10.17694 
1 1 1 -19 12  6  o 18.988  7.1628  32.655     45.027   39.716     87.017   30.073     52.620   24.391  9.7406  19.673  7.6597  4.717991       12.39159 
1 1 1 -19 12  7  o 63.603  4.7602  497.056    72.931   557.589    114.873  456.180    94.396   66.875  7.1923  60.572  6.5257  6.303764       9.711569 
1 1 1 -19 12  8  o 97.643  6.3721  1176.79    150.141  1418.36    193.172  808.176    238.620  106.902 7.4946  78.627  12.959  28.27558       14.97027 
1 1 1 -19 12  9  o 110.016 5.9345  1489.77    157.831  0.0000     0.0000   1489.77    157.831  ?       ?       110.016 5.9345  0.000000       5.934510 
1 1 1 -19 12  10 o 112.335 5.8334  1552.76    158.455  0.0000     0.0000   1552.76    158.455  ?       ?       112.335 5.8334  0.000000       5.833447 
1 1 1 -19 12  11 o 114.348 6.3232  1613.34    174.760  1721.28    310.569  1563.33    211.406  116.129 11.159  112.059 7.8242  4.070267       13.62891 
1 1 1 -19 12  12 o 67.460  6.6154  566.052    106.893  63.260     200.998  764.330    126.222  34.871  14.468  78.461  6.6941  -43.58977      15.94132 
1 1 1 -19 12  13 o 88.394  6.1327  965.979    130.720  982.752    224.663  957.395    160.729  87.495  10.812  87.549  7.6428  -0.5433655E-01 13.24091 
1 1 1 -19 12  14 o 31.448  9.4688  125.865    78.183   -131.6012  157.171  210.523    90.125   23.784  11.093  40.177  9.4101  -16.39340      14.54694 
1 1 1 -19 12  15 o 88.887  4.2009  965.829    90.605   921.573    123.754  1016.96    133.016  86.307  5.9458  90.642  6.0832  -4.335533      8.506346 
1 1 1 -19 12  16 o ?       ?       -160.2468  31.353   -198.0743  37.682   -75.1343   56.523   ?       ?       13.163  6.2902  0.000000       6.290196 
1 1 1 -19 12  17 o 125.578 4.2956  1930.70    130.889  1746.90    181.748  2128.74    188.655  118.663 6.3352  131.328 5.9204  -12.66476      8.670984 
1 1 1 -19 12  18 o 125.455 4.2994  1928.35    130.875  1642.67    181.489  2237.86    188.905  114.881 6.5379  134.616 5.7834  -19.73497      8.728788 
1 1 1 -19 12  19 o 83.178  4.3167  850.651    86.823   782.977    116.439  935.394    130.298  79.265  6.1010  86.624  6.2410  -7.359818      8.727696 
1 1 1 -19 12  20 o 24.274  7.4950  74.221     48.579   86.410     62.208   55.170     77.771   26.348  8.5273  24.375  9.3606  1.973188       12.66241 
1 1 1 -19 12  21 o 78.335  4.2943  756.032    81.312   725.630    112.727  789.008    117.402  76.127  6.1554  79.407  6.1411  -3.279297      8.694901 
1 1 1 -19 12  22 o 41.408  5.6130  216.470    54.943   195.495    72.148   245.426    84.771   38.604  7.9666  43.218  8.3863  -4.614090      11.56704 
1 1 1 -19 12  23 o 27.264  7.3226  97.313     49.468   29.937     66.692   179.718    73.757   21.013  8.4793  36.773  8.4444  -15.75991      11.96690 
1 1 1 -19 12  24 o 34.756  6.1330  155.387    49.830   169.678    66.503   137.093    75.244   35.812  7.8683  31.999  9.2002  3.812685       12.10592 
1 1 1 -19 12  25 o 55.656  4.7661  386.435    63.742   448.025    87.403   316.460    93.163   59.438  6.1492  49.047  8.1118  10.39116       10.17912 
1 1 1 -19 12  26 o 47.244  6.8996  288.755    76.760   251.577    91.630   376.242    140.561  43.123  9.0460  51.548  11.527  -8.425289      14.65278 
1 1 1 -19 12  27 o 24.940  8.3422  78.504     59.354   62.442     67.003   137.046    127.921  23.722  8.7791  32.819  12.133  -9.097355      14.97644 
1 1 1 -19 12  28 o 37.526  7.6727  187.758    67.506   228.342    78.631   73.995     131.648  41.272  8.1411  28.895  11.819  12.37673       14.35156 
1 1 1 -19 12  29 o 73.135  4.5242  666.963    79.891   701.614    111.390  630.257    114.646  74.126  6.2515  69.885  6.8490  4.240997       9.273100 
1 1 1 -19 12  30 o 35.222  7.6335  166.499    63.355   247.370    91.275   91.310     88.010   42.380  9.1445  27.422  10.077  14.95788       13.60753 
1 1 1 -19 12  31 o 64.204  5.1233  519.589    79.148   635.678    114.000  411.559    109.972  70.106  6.7867  55.337  8.4590  14.76883       10.84499 
1 1 1 -19 12  32 o 32.595  8.0728  144.943    63.513   177.238    92.141   115.706    87.668   35.298  10.190  29.429  10.135  5.869268       14.37193 
1 1 1 -19 12  33 o 18.921  8.5717  -29.5812   84.763   -33.6540   196.277  -28.6475   93.978   27.933  12.802  20.004  9.0471  7.928991       15.67640 
1 1 1 -19 12  34 o 18.871  8.5693  -30.7257   85.332   -17.4142   200.150  -33.6828   94.335   28.444  12.996  19.738  8.9811  8.705954       15.79750 
1 1 1 -19 12  35 o 32.203  8.8469  146.085    71.253   181.412    94.123   98.665     109.049  35.216  10.338  28.439  11.040  6.776989       15.12421 
1 1 1 -19 12  36 o 27.224  8.7587  102.313    65.703   105.366    89.887   98.810     96.278   28.043  10.202  27.728  10.470  0.3146019      14.61880 
1 1 1 -19 12  37 o 24.091  8.6802  74.238     64.847   27.398     90.571   123.504    92.887   22.257  9.4978  29.463  10.413  -7.206171      14.09370 
1 1 1 -19 12  38 o 18.166  7.8772  5.9992     64.232   39.973     87.270   -34.1601   94.882   22.639  9.4746  19.363  8.8844  3.276411       12.98849 
1 1 1 -19 12  39 o 13.728  6.5238  -60.2290   59.074   -133.5305  80.454   25.523     87.019   14.107  6.9160  21.569  9.2595  -7.461576      11.55726 
1 1 1 -19 12  40 o 15.610  7.1460  -26.2826   60.898   -49.5779   83.852   -0.2806    88.589   17.329  8.0892  20.125  8.9673  -2.796469      12.07679 
1 1 1 -19 12  41 o 56.673  6.0711  427.356    82.185   268.061    113.567  602.500    119.083  40.469  11.190  65.829  7.5947  -25.35951      13.52408 
1 1 1 -19 12  42 o 41.682  7.7581  246.775    75.577   284.320    101.596  200.256    113.089  42.837  9.9626  34.444  11.515  8.393497       15.22659 
1 1 1 -19 12  43 o 40.565  10.251  260.263    100.944  255.372    110.447  285.072    248.747  39.291  11.097  35.942  15.544  3.348938       19.09819 
1 1 1 -19 12  44 o 21.863  9.2595  39.039     84.962   41.254     91.256   24.623     232.794  22.435  9.5526  28.186  13.260  -5.750999      16.34252 
1 1 1 -19 12  45 o 24.954  8.7962  88.153     66.244   40.800     89.768   144.773    98.161   22.334  9.4913  30.217  10.702  -7.883005      14.30407 
1 1 1 -19 12  46 o 25.821  8.7493  96.772     65.297   -10.2823   88.173   226.785    97.169   19.368  8.7611  37.697  10.321  -18.32921      13.53810 
1 1 1 -19 12  47 o 22.171  9.5786  35.183     94.275   -315.7492  279.020  80.409     100.165  23.930  11.931  25.249  10.316  -1.319000      15.77295 
1 1 1 -19 12  48 o 27.839  10.704  121.050    101.772  -76.5577   289.412  148.934    108.715  27.083  13.243  29.886  11.158  -2.803152      17.31742 
1 1 1 -19 13  1  o 118.069 6.2102  1717.52    177.287  1870.40    234.189  1512.29    271.334  122.654 7.9112  109.276 10.357  13.37810       13.03279 
1 1 1 -19 13  2  o 114.791 4.1730  1607.86    116.230  1927.99    168.816  1319.35    160.265  125.424 5.5471  103.388 6.4203  22.03647       8.484741 
1 1 1 -19 13  3  o 29.137  6.9803  108.773    48.701   149.939    88.353   90.807     58.369   34.236  10.006  26.967  8.1953  7.268713       12.93394 
1 1 1 -19 13  4  o 117.384 4.2404  1681.64    120.777  1951.22    175.045  1436.69    166.857  126.137 5.7193  107.908 6.4013  18.22884       8.584144 
1 1 1 -19 13  5  o 110.649 4.2867  1494.46    115.090  1720.07    167.557  1292.95    158.355  118.401 5.8324  102.342 6.4093  16.05840       8.665741 
1 1 1 -19 13  6  o 43.921  5.7520  240.534    59.826   229.537    98.381   246.987    75.361   42.013  9.8260  44.176  7.2847  -2.162670      12.23185 
1 1 1 -19 13  7  o 92.328  4.4788  1041.30    100.337  1239.91    150.941  884.044    134.306  100.243 6.2366  84.488  6.6039  15.75493       9.083324 
1 1 1 -19 13  8  o 47.239  7.4661  282.315    82.733   0.0000     0.0000   282.315    82.733   ?       ?       47.239  7.4661  0.000000       7.466147 
1 1 1 -19 13  9  o 74.233  6.2867  682.630    112.172  0.0000     0.0000   682.630    112.172  ?       ?       74.233  6.2867  0.000000       6.286673 
1 1 1 -19 13  10 o 104.027 6.2662  1336.53    157.429  994.798    296.717  1470.41    185.726  86.243  14.707  108.874 7.0687  -22.63068      16.31735 
1 1 1 -19 13  11 o 87.160  6.5113  941.570    136.710  1029.48    267.483  910.486    159.054  88.636  12.809  85.321  7.7679  3.315056       14.98010 
1 1 1 -19 13  12 o 12.569  6.1206  -106.1013  60.008   -349.9736  150.908  -60.2972   65.401   18.089  8.9783  15.317  7.1483  2.771095       11.47640 
1 1 1 -19 13  13 o 68.964  6.7065  593.164    110.803  412.278    210.579  662.421    130.300  54.734  15.275  72.677  7.4966  -17.94271      17.01539 
1 1 1 -19 13  14 o 112.310 4.1053  1541.88    111.875  1671.17    158.661  1414.04    157.773  116.545 5.6107  106.902 6.1079  9.642860       8.293715 
1 1 1 -19 13  15 o 83.623  4.1514  855.394    84.233   792.305    117.933  921.097    120.351  79.873  6.1319  86.260  5.7836  -6.386436      8.429166 
1 1 1 -19 13  16 o 55.929  4.7862  386.674    64.326   298.629    87.435   490.553    94.973   48.334  7.7147  62.645  6.3352  -14.31057      9.982591 
1 1 1 -19 13  17 o 151.217 4.5244  2805.59    166.006  2599.15    232.017  3022.13    237.620  144.631 6.6114  156.140 6.2720  -11.50943      9.113114 
1 1 1 -19 13  18 o 42.565  5.8307  228.165    58.637   146.002    77.699   336.867    89.371   33.320  9.2713  51.393  7.3785  -18.07289      11.84905 
1 1 1 -19 13  19 o 34.379  6.6009  152.009    53.062   200.721    69.349   83.220     82.412   39.361  7.5357  27.149  9.7851  12.21184       12.35052 
1 1 1 -19 13  20 o 88.166  4.6455  959.870    99.029   870.791    123.728  1118.65    165.187  83.409  6.1570  94.032  7.2971  -10.62252      9.547587 
1 1 1 -19 13  21 o 86.436  4.3104  919.206    90.400   811.074    121.108  1055.27    135.849  80.354  6.2610  91.772  6.1361  -11.41792      8.766528 
1 1 1 -19 13  22 o 20.865  7.4006  49.079     46.961   -9.3487    61.190   132.810    73.251   17.353  7.6035  31.590  9.0760  -14.23764      11.84004 
1 1 1 -19 13  23 o 56.104  4.8177  392.415    64.948   306.827    87.887   495.392    96.402   48.517  7.7247  62.461  6.4539  -13.94421      10.06593 
1 1 1 -19 13  24 o 48.906  5.1605  300.570    60.313   230.016    80.319   391.786    91.327   41.594  8.2498  55.186  6.9762  -13.59169      10.80399 
1 1 1 -19 13  25 o 40.687  7.5498  218.167    71.790   222.569    85.479   207.630    132.254  40.533  8.9322  38.245  12.438  2.287704       15.31292 
1 1 1 -19 13  26 o 77.771  5.8797  765.111    110.133  783.023    132.453  724.986    198.243  77.977  7.0776  71.515  11.839  6.462212       13.79294 
1 1 1 -19 13  27 o 49.064  6.9701  313.258    80.645   306.330    94.550   331.753    154.484  47.777  8.4660  46.980  13.073  0.7972336      15.57522 
1 1 1 -19 13  28 o 66.333  4.6066  549.784    73.684   561.916    100.080  535.425    108.886  66.244  6.3024  64.200  7.1093  2.043907       9.500669 
1 1 1 -19 13  29 o 18.436  7.7747  12.000     59.487   -28.6500   85.052   50.931     83.233   19.108  8.6275  23.854  9.5264  -4.746315      12.85247 
1 1 1 -19 13  30 o 51.611  5.7582  340.403    70.880   398.814    98.787   278.427    101.757  54.935  7.6161  44.641  9.6737  10.29405       12.31202 
1 1 1 -19 13  31 o 41.594  6.9028  227.870    67.223   278.473    92.393   170.951    97.990   45.087  8.7611  34.583  10.639  10.50353       13.78231 
1 1 1 -19 13  32 o 18.154  8.2593  -32.8198   79.753   -63.5232   154.513  -21.6690   93.116   24.141  11.170  20.235  9.0918  3.906664       14.40261 
1 1 1 -19 13  33 o 60.288  7.8269  486.285    111.792  316.884    219.007  545.978    130.005  42.874  15.871  63.264  8.6993  -20.39028      18.09880 
1 1 1 -19 13  34 o 53.549  8.3615  392.018    105.091  323.932    204.231  416.539    122.562  43.028  15.415  54.252  9.6649  -11.22369      18.19425 
1 1 1 -19 13  35 o 31.013  8.2196  134.621    62.850   158.040    86.885   108.915    91.026   32.898  9.9991  28.370  10.275  4.527670       14.33712 
1 1 1 -19 13  36 o 42.421  7.3792  244.857    73.197   242.232    103.503  247.484    103.529  40.070  10.514  40.558  10.454  -0.4883118     14.82659 
1 1 1 -19 13  37 o 56.624  6.0974  421.056    82.453   396.026    111.312  451.487    122.737  52.647  9.0393  55.974  9.3681  -3.326626      13.01802 
1 1 1 -19 13  38 o 21.084  8.3004  46.734     62.356   -6.7064    87.032   103.104    89.385   19.763  8.8409  27.261  10.130  -7.498367      13.44523 
1 1 1 -19 13  39 o 23.834  8.7464  74.845     66.273   40.271     90.865   114.142    96.872   22.620  9.5777  28.097  10.525  -5.476912      14.23033 
1 1 1 -19 13  40 f 25.133  8.9135  88.720     68.123   23.779     89.785   176.824    104.579  21.413  9.2994  32.952  11.073  -11.53872      14.45993 
1 1 1 -19 13  41 o 11.916  5.8146  -87.4426   54.951   -145.9570  78.359   -30.8194   77.082   13.380  6.6104  17.256  7.9510  -3.876208      10.34000 
1 1 1 -19 13  42 f 22.687  9.8689  34.581     101.453  34.581     101.453  0.0000     0.0000   22.687  9.8689  ?       ?       0.000000       9.868937 
1 1 1 -19 13  43 o 54.751  9.2308  447.475    118.267  411.349    131.888  595.769    267.213  50.343  11.096  47.845  17.562  2.498127       20.77352 
1 1 1 -19 13  44 o 45.734  7.3089  292.174    78.376   348.916    108.562  230.403    113.270  47.810  9.6900  36.854  11.456  10.95605       15.00417 
1 1 1 -19 13  45 o 29.845  8.7015  133.407    66.888   93.421     89.842   183.135    100.190  25.927  10.033  33.391  10.824  -7.464186      14.75807 
1 1 1 -19 13  46 o 42.500  10.871  296.119    112.558  19.003     253.531  364.147    125.616  28.322  13.475  46.990  11.180  -18.66761      17.50915 
1 1 1 -19 13  47 f 16.329  7.7904  -73.6535   85.948   251.230    217.264  -133.9281  93.582   34.019  14.618  15.313  7.4971  18.70549       16.42879 
1 1 1 -19 13  48 o 33.845  11.040  201.122    104.166  169.080    236.715  208.817    116.002  30.460  13.997  33.795  11.657  -3.335094      18.21527 
1 1 1 -19 14  1  o 23.660  7.0491  70.018     43.499   123.589    80.422   47.865     51.717   31.342  9.6379  21.437  7.7477  9.904305       12.36593 
1 1 1 -19 14  2  o 72.788  4.8591  650.924    85.324   753.352    117.315  535.894    124.323  78.026  6.2490  65.271  8.0186  12.75503       10.16606 
1 1 1 -19 14  3  o 75.297  4.3321  694.644    78.815   726.060    120.108  670.885    104.448  76.521  6.5315  73.686  5.8911  2.834290       8.795728 
1 1 1 -19 14  4  o 39.790  5.7598  198.214    53.991   266.021    89.791   159.813    67.571   45.580  8.4294  35.211  8.0802  10.36850       11.67666 
1 1 1 -19 14  5  o 91.260  4.3471  1017.24    96.260   1131.03    143.944  925.187    129.469  95.696  6.2332  86.519  6.2085  9.177734       8.797645 
1 1 1 -19 14  6  o 18.434  8.3582  -43.5565   80.796   9.2256     100.263  -141.3153  136.450  23.738  10.056  21.426  10.101  2.312214       14.25382 
1 1 1 -19 14  7  o 80.535  6.1652  802.396    119.559  0.0000     0.0000   802.396    119.559  ?       ?       80.535  6.1652  0.000000       6.165150 
1 1 1 -19 14  8  o 71.196  7.7358  635.731    131.486  0.0000     0.0000   635.731    131.486  ?       ?       71.196  7.7358  0.000000       7.735769 
1 1 1 -19 14  9  o 64.698  8.0355  527.930    123.428  0.0000     0.0000   527.930    123.428  ?       ?       64.698  8.0355  0.000000       8.035492 
1 1 1 -19 14  10 o 124.953 6.3203  1929.52    190.999  2451.24    331.394  1670.01    233.723  139.109 9.8824  115.406 8.4043  23.70256       12.97284 
1 1 1 -19 14  11 o 118.486 6.2094  1735.50    177.897  1646.09    294.476  1786.88    223.237  113.255 10.849  119.626 7.7322  -6.371574      13.32220 
1 1 1 -19 14  12 o 159.606 4.4959  3118.43    174.112  3049.55    246.808  3186.67    245.660  157.081 6.4755  160.651 6.3021  -3.570694      9.035947 
1 1 1 -19 14  13 o 169.079 4.7504  3505.31    194.887  3433.40    275.800  3577.02    275.425  166.400 6.8309  169.925 6.6801  -3.524841      9.554293 
1 1 1 -19 14  14 o 103.403 4.1812  1308.56    104.906  1255.50    148.534  1361.38    148.185  100.613 6.1132  104.879 5.8463  -4.266312      8.458761 
1 1 1 -19 14  15 f 55.436  4.7116  379.903    62.775   346.291    87.332   415.838    90.298   52.296  7.0630  57.531  6.5874  -5.234375      9.658179 
1 1 1 -19 14  16 o 115.457 4.1568  1633.34    116.451  1573.37    164.609  1693.42    164.765  112.548 6.0499  117.016 5.8031  -4.468140      8.383129 
1 1 1 -19 14  17 o 84.728  4.2765  882.995    87.635   772.316    120.212  1008.53    128.025  78.568  6.3603  90.030  5.8932  -11.46134      8.670854 
1 1 1 -19 14  18 o 167.844 4.6918  3468.18    191.075  3183.22    267.668  3764.27    272.848  159.445 6.9187  173.725 6.4728  -14.27962      9.474472 
1 1 1 -19 14  19 o 121.761 4.3252  1823.01    127.785  1733.50    177.155  1920.09    184.498  117.745 6.2229  124.130 6.1256  -6.384171      8.731992 
1 1 1 -19 14  20 o 82.310  4.3548  836.342    86.663   754.544    117.887  932.528    127.837  77.426  6.3304  86.207  6.1519  -8.780937      8.827216 
1 1 1 -19 14  21 o 64.899  4.6126  522.622    72.161   425.488    96.352   646.704    108.900  57.658  7.0328  71.556  6.3378  -13.89740      9.467158 
1 1 1 -19 14  22 o 64.691  4.6097  519.962    71.884   498.966    95.520   547.382    109.159  62.702  6.3667  65.417  6.9852  -2.714981      9.451334 
1 1 1 -19 14  23 o 48.933  5.1205  300.877    59.897   332.376    80.607   262.041    89.503   50.866  6.6936  44.264  8.6434  6.601791       10.93217 
1 1 1 -19 14  24 o 42.707  7.3521  239.149    73.437   285.734    87.864   131.188    133.759  46.431  8.0932  32.712  12.344  13.71892       14.76059 
1 1 1 -19 14  25 o 39.374  7.5075  205.257    69.106   252.665    81.087   79.434     132.101  43.583  7.9610  29.286  11.893  14.29702       14.31162 
1 1 1 -19 14  26 o 26.514  8.4369  92.363     61.091   64.770     69.156   190.394    130.353  24.016  8.9129  36.532  12.362  -12.51572      15.24004 
1 1 1 -19 14  27 f 32.593  7.0858  141.335    54.439   100.857    71.884   195.773    83.363   27.683  9.1779  37.599  9.2104  -9.915911      13.00253 
1 1 1 -19 14  28 o 11.848  5.7284  -75.7514   50.184   -56.7553   73.168   -92.6265   68.962   16.238  7.5720  14.179  6.8205  2.059093       10.19091 
1 1 1 -19 14  29 o 59.969  5.1742  454.370    74.552   609.192    103.822  289.558    107.119  68.884  6.2807  45.315  10.009  23.56931       11.81679 
1 1 1 -19 14  30 o 15.586  6.9794  -17.1405   54.389   -92.5626   78.565   52.271     75.370   15.482  7.4033  23.218  9.1304  -7.736404      11.75466 
1 1 1 -19 14  31 o 55.448  7.9314  411.753    103.669  812.977    199.382  263.092    121.364  74.999  11.308  41.984  11.551  33.01423       16.16457 
1 1 1 -19 14  32 o 60.399  7.8154  488.288    111.849  396.035    220.290  520.331    129.829  47.170  16.070  61.512  8.9619  -14.34197      18.39985 
1 1 1 -19 14  33 o 33.320  10.392  161.680    93.129   293.747    179.104  112.740    109.027  41.757  14.480  29.408  11.133  12.34881       18.26485 
1 1 1 -19 14  34 o 19.134  7.9211  23.366     60.060   34.218     82.845   11.343     87.198   22.154  9.2479  21.115  9.1671  1.038982       13.02152 
1 1 1 -19 14  35 o 15.693  7.0729  -18.1319   56.867   -18.0430   78.751   -18.2287   82.203   18.495  8.3309  18.872  8.5051  -0.3771229     11.90550 
1 1 1 -19 14  36 o 38.836  7.8259  210.233    71.196   213.770    96.033   205.916    106.089  37.524  10.255  36.291  11.053  1.232857       15.07781 
1 1 1 -19 14  37 o 27.818  8.8723  111.591    67.530   98.813     91.370   126.973    100.249  26.953  10.195  29.374  10.761  -2.420710      14.82300 
1 1 1 -19 14  38 o 55.429  6.0705  407.323    80.309   577.667    108.848  203.813    118.974  65.244  6.9842  34.990  11.810  30.25418       13.72086 
1 1 1 -19 14  39 o 28.898  8.6345  123.423    65.197   223.142    90.001   13.316     94.573   38.098  9.7081  21.207  9.3665  16.89095       13.48994 
1 1 1 -19 14  40 o 20.667  8.2669  44.972     62.791   117.971    84.714   -44.0288   93.540   27.923  9.9359  18.390  8.5709  9.532949       13.12189 
1 1 1 -19 14  41 o 13.669  6.7396  -141.5161  80.034   -141.5161  80.034   0.0000     0.0000   13.669  6.7396  ?       ?       0.000000       6.739557 
1 1 1 -19 14  42 o 22.506  9.5040  46.132     89.087   50.954     93.627   -0.0017    289.600  23.085  9.7454  28.897  13.919  -5.812056      16.99162 
1 1 1 -19 14  43 o 26.248  8.7617  101.342    65.473   104.540    94.664   98.410     90.653   26.832  10.322  26.276  10.103  0.5560436      14.44305 
1 1 1 -19 14  44 o 36.136  8.2887  191.671    71.131   168.622    95.502   220.388    106.600  32.215  10.574  36.305  11.085  -4.090431      15.31914 
1 1 1 -19 14  45 o 50.267  10.118  394.990    119.129  252.014    262.003  432.252    133.755  34.200  15.317  51.542  11.028  -17.34180      18.87403 
1 1 1 -19 14  46 o 18.959  8.6610  -15.8282   88.844   -85.4144   220.934  -2.4049    97.035   24.788  11.994  20.280  9.1808  4.508024       15.10410 
1 1 1 -19 14  47 o 27.210  10.516  117.126    98.605   130.260    241.937  114.509    107.980  29.539  13.773  27.105  10.841  2.433630       17.52792 
1 1 1 -19 15  1  f 105.225 4.1677  1352.17    106.410  1511.52    155.833  1212.94    145.655  110.762 5.8187  99.115  6.0859  11.64713       8.419996 
1 1 1 -19 15  2  o 22.062  7.5782  55.419     49.004   80.343     83.497   42.323     60.524   27.306  9.8481  21.758  8.2809  5.548355       12.86698 
1 1 1 -19 15  3  f 114.645 4.7456  1608.23    132.009  1700.69    171.675  1474.46    206.488  117.436 6.0453  108.700 7.8825  8.735527       9.933742 
1 1 1 -19 15  4  o 94.171  4.3059  1083.53    98.388   1239.12    146.467  955.591    132.817  100.186 6.0536  87.877  6.2701  12.30872       8.715480 
1 1 1 -19 15  5  o 77.914  5.6739  749.487    106.529  844.037    130.528  560.884    184.351  82.470  6.5776  65.286  12.083  17.18462       13.75695 
1 1 1 -19 15  6  o 39.610  13.213  196.982    148.897  0.0000     0.0000   196.982    148.897  ?       ?       39.610  13.213  0.000000       13.21270 
1 1 1 -19 15  7  o 46.115  9.2773  275.685    100.210  0.0000     0.0000   275.685    100.210  ?       ?       46.115  9.2773  0.000000       9.277269 
1 1 1 -19 15  8  o 71.385  7.5661  639.494    129.053  0.0000     0.0000   639.494    129.053  ?       ?       71.385  7.5661  0.000000       7.566097 
1 1 1 -19 15  9  f 123.039 6.1325  1866.47    183.081  2019.72    304.489  1779.70    229.126  125.960 10.046  119.249 7.9645  6.710747       12.82030 
1 1 1 -19 15  10 o 192.227 6.9904  4581.93    326.047  5384.57    498.490  3981.83    431.031  206.096 9.9683  176.898 10.084  29.19873       14.17925 
1 1 1 -19 15  11 o 110.950 4.2537  1506.27    114.513  1524.65    161.455  1487.67    162.442  110.999 6.0172  109.599 6.1330  1.399750       8.591881 
1 1 1 -19 15  12 o 187.765 4.9449  4329.59    225.287  4364.04    318.728  4295.18    318.479  187.371 7.0106  185.853 7.0623  1.517197       9.951105 
1 1 1 -19 15  13 o 66.031  4.4745  536.962    71.267   522.103    99.181   552.823    102.473  64.603  6.4119  66.487  6.4324  -1.884254      9.082289 
1 1 1 -19 15  14 o 75.474  4.2366  700.221    77.271   665.662    109.538  734.453    109.019  73.024  6.2421  76.844  5.8918  -3.819489      8.583534 
1 1 1 -19 15  15 o 123.063 4.2582  1857.49    127.149  1801.02    180.451  1913.17    179.188  120.300 6.2031  124.257 5.9433  -3.956848      8.590783 
1 1 1 -19 15  16 o 81.666  4.1765  820.347    82.484   849.448    115.995  790.579    117.315  82.580  5.8264  79.544  6.1255  3.036057       8.453854 
1 1 1 -19 15  17 o 68.348  4.3733  576.540    72.146   546.694    101.930  606.504    102.130  65.890  6.4587  69.558  6.1132  -3.668472      8.893050 
1 1 1 -19 15  18 o 14.744  6.3862  -3.8782    42.123   7.4039     53.097   -23.0361   69.191   17.450  7.3514  17.683  7.8986  -0.2324810     10.79032 
1 1 1 -19 15  19 o 32.838  6.8720  140.442    52.997   135.934    68.985   146.934    82.788   31.965  8.6734  33.141  9.6858  -1.176361      13.00168 
1 1 1 -19 15  20 o 42.876  5.5535  232.475    56.418   223.333    74.926   244.445    85.738   41.252  7.7707  42.905  8.5361  -1.653080      11.54331 
1 1 1 -19 15  21 o 34.476  6.4711  154.163    52.144   177.137    67.307   119.674    82.467   36.563  7.8232  30.210  9.8214  6.352877       12.55643 
1 1 1 -19 15  22 o 60.471  4.6777  455.829    68.100   391.544    92.074   533.464    101.184  55.081  7.0511  64.659  6.5393  -9.577812      9.616692 
1 1 1 -19 15  23 o 43.574  7.5708  250.078    77.140   241.588    84.999   289.729    183.690  42.375  8.5614  43.678  14.675  -1.302887      16.99004 
1 1 1 -19 15  24 o 100.768 5.8960  1283.95    143.531  1312.41    178.881  1232.50    240.500  100.753 7.3682  94.544  10.670  6.209320       12.96727 
1 1 1 -19 15  25 o 99.461  5.9270  1253.93    142.389  1287.28    176.842  1192.46    240.104  99.634  7.3672  92.465  10.912  7.168488       13.16618 
1 1 1 -19 15  26 o 108.158 4.3111  1451.83    113.138  1343.30    157.654  1567.08    162.458  102.518 6.3693  111.023 6.0535  -8.504730      8.787121 
1 1 1 -19 15  27 o 52.847  5.4703  355.042    69.128   270.365    96.821   443.093    98.731   44.168  9.3270  58.221  7.1385  -14.05340      11.74529 
1 1 1 -19 15  28 o 19.609  7.7264  33.546     54.072   47.397     74.876   18.450     78.170   22.810  9.0588  20.998  8.8868  1.812143       12.69003 
1 1 1 -19 15  29 o 24.168  8.3856  73.406     60.075   -64.3812   82.528   228.711    87.618   17.081  7.9906  40.517  9.1310  -23.43571      12.13363 
1 1 1 -19 15  30 o 55.056  8.2417  409.396    106.714  726.314    198.064  279.769    126.672  69.964  12.105  43.108  11.777  26.85569       16.88875 
1 1 1 -19 15  31 o 36.865  10.326  198.003    96.051   162.123    191.601  210.046    111.006  34.831  14.254  37.503  11.281  -2.671535      18.17780 
1 1 1 -19 15  32 o 50.926  9.1579  363.528    109.002  181.655    211.215  429.550    127.258  35.744  14.830  54.832  9.9307  -19.08773      17.84828 
1 1 1 -19 15  33 o 34.233  7.9280  162.695    64.557   140.874    91.053   184.751    91.544   31.166  10.329  35.358  10.143  -4.191959      14.47641 
1 1 1 -19 15  34 o 21.272  8.2444  48.171     60.745   59.016     84.831   36.759     87.023   23.909  9.5929  22.522  9.4456  1.386644       13.46264 
1 1 1 -19 15  35 o 15.883  7.1642  -17.7048   58.478   24.001     80.739   -63.7230   84.811   21.034  8.9714  17.017  8.0049  4.017075       12.02348 
1 1 1 -19 15  36 o 26.391  8.6349  98.763     63.707   62.905     88.568   137.206    91.704   24.104  9.7558  30.180  10.367  -6.075905      14.23542 
1 1 1 -19 15  37 o 26.530  8.6841  101.251    64.432   74.355     88.759   131.212    93.681   24.769  9.8546  29.425  10.451  -4.656050      14.36436 
1 1 1 -19 15  38 o 42.008  7.3300  246.345    71.997   284.182    97.357   200.678    106.956  43.322  9.5215  34.845  11.171  8.476997       14.67850 
1 1 1 -19 15  39 o 22.783  8.6463  66.681     65.864   92.400     92.082   39.738     94.246   25.899  10.119  22.503  9.6478  3.395447       13.98135 
1 1 1 -19 15  40 o 18.929  8.6614  -20.1257   89.328   -20.1257   89.328   0.0000     0.0000   18.929  8.6614  ?       ?       0.000000       8.661419 
1 1 1 -19 15  41 o 20.883  9.1827  18.295     89.941   -24.1581   95.539   349.070    266.681  19.303  8.8784  37.190  16.089  -17.88672      18.37584 
1 1 1 -19 15  42 o 31.251  9.0205  149.247    72.206   127.350    99.679   173.423    104.737  28.562  10.681  32.202  11.078  -3.640137      15.38823 
1 1 1 -19 15  43 o 23.909  8.5475  79.790     62.763   75.172     86.978   84.806     90.656   24.359  9.7348  25.210  9.9818  -0.8512478     13.94279 
1 1 1 -19 15  44 o 19.587  8.7265  4.0897     83.868   401.134    202.922  -77.7061   92.103   42.140  15.329  16.903  8.0643  25.23713       17.32072 
1 1 1 -19 15  45 o 32.830  11.030  184.053    103.771  509.612    243.571  111.856    114.701  44.056  16.649  27.379  11.095  16.67639       20.00753 
1 1 1 -19 15  46 o 23.207  9.8156  58.997     95.267   95.371     233.444  51.729     104.353  28.578  13.391  23.240  10.059  5.338276       16.74825 
1 1 1 -19 16  1  o 22.729  7.5056  61.462     48.092   112.443    82.618   35.334     59.145   30.222  9.8307  20.913  8.1268  9.309332       12.75487 
1 1 1 -19 16  2  o 26.851  7.6521  91.874     52.275   115.930    91.454   80.199     63.709   30.944  10.355  25.930  8.6424  5.013723       13.48771 
1 1 1 -19 16  3  o 119.652 4.3166  1750.35    125.323  1979.44    181.934  1543.49    172.879  126.816 5.9125  111.672 6.4070  15.14482       8.718262 
1 1 1 -19 16  4  o 92.486  5.4685  1054.28    122.173  1126.97    148.783  903.799    214.070  95.338  6.4700  83.703  10.792  11.63492       12.58247 
1 1 1 -19 16  5  o 30.472  9.9616  114.260    84.794   0.0000     0.0000   114.260    84.794   ?       ?       30.472  9.9616  0.000000       9.961594 
1 1 1 -19 16  6  o 130.752 8.0055  2139.40    252.759  0.0000     0.0000   2139.40    252.759  ?       ?       130.752 8.0055  0.000000       8.005548 
1 1 1 -19 16  7  o 56.995  8.4380  414.549    113.165  0.0000     0.0000   414.549    113.165  ?       ?       56.995  8.4380  0.000000       8.437965 
1 1 1 -19 16  8  o 61.703  6.8313  477.291    100.559  698.961    198.539  400.802    116.625  72.914  11.611  55.839  8.9071  17.07539       14.63421 
1 1 1 -19 16  9  o 91.457  5.9825  1036.56    132.028  922.167    222.740  1098.52    163.930  84.063  11.199  93.702  7.2670  -9.639244      13.34997 
1 1 1 -19 16  10 o 33.746  6.2362  145.111    49.182   82.342     65.204   227.955    74.909   26.162  8.7437  42.139  7.6062  -15.97636      11.58907 
1 1 1 -19 16  11 o 54.973  4.7613  373.737    62.882   368.794    87.412   379.037    90.527   54.075  6.8133  54.785  6.9677  -0.7102165     9.745252 
1 1 1 -19 16  12 o 90.066  4.2043  993.955    91.880   963.360    129.229  1025.23    130.658  87.997  6.0898  90.838  5.9611  -2.840294      8.521749 
1 1 1 -19 16  13 o 119.647 4.2255  1755.31    122.672  1682.43    173.315  1828.48    173.655  116.295 6.1640  121.512 5.8899  -5.217232      8.525611 
1 1 1 -19 16  14 o 67.048  4.4223  554.500    71.541   487.717    101.352  620.818    100.998  62.144  6.8345  70.505  5.9596  -8.361122      9.067874 
1 1 1 -19 16  15 o 42.221  5.4916  224.165    54.928   251.532    75.079   192.646    80.572   44.234  7.2461  38.130  8.8749  6.103676       11.45734 
1 1 1 -19 16  16 o 36.648  6.1110  171.480    52.427   128.069    72.001   220.471    76.488   31.173  9.0105  41.069  7.9630  -9.896126      12.02493 
1 1 1 -19 16  17 o 85.787  4.1810  905.062    87.030   855.686    122.886  954.748    123.272  82.547  6.1801  87.369  5.8487  -4.821495      8.508891 
1 1 1 -19 16  18 o 93.878  4.2345  1085.32    96.456   1007.26    133.798  1169.80    139.181  89.490  6.2000  96.592  5.9677  -7.101654      8.605478 
1 1 1 -19 16  19 o 136.915 4.4914  2315.56    149.211  2171.63    207.637  2469.26    214.564  131.302 6.5173  140.174 6.3085  -8.871887      9.070417 
1 1 1 -19 16  20 o 110.867 4.2930  1517.68    115.484  1445.37    160.066  1596.18    166.779  107.033 6.1898  112.534 6.1310  -5.500923      8.712220 
1 1 1 -19 16  21 o 52.006  5.0822  339.757    63.311   307.923    84.376   380.774    95.776   48.578  7.3915  54.058  7.5042  -5.480896      10.53316 
1 1 1 -19 16  22 o 85.316  6.1316  923.393    126.084  871.082    145.796  1078.56    251.103  82.042  7.4037  87.017  12.230  -4.974640      14.29685 
1 1 1 -19 16  23 o 124.789 6.3004  1980.01    190.152  1884.44    231.316  2179.18    333.935  120.086 7.9842  125.114 11.116  -5.027855      13.68609 
1 1 1 -19 16  24 o 42.737  7.8626  244.025    78.528   227.152    85.772   331.447    195.236  40.692  8.9321  45.466  15.128  -4.773792      17.56805 
1 1 1 -19 16  25 o 25.227  7.2283  84.568     46.518   135.967    61.766   17.204     70.711   31.627  8.0333  20.148  8.4855  11.47865       11.68495 
1 1 1 -19 16  26 o 41.756  6.3924  226.982    62.704   247.163    88.627   206.755    88.727   42.373  8.9031  38.365  9.5647  4.008087       13.06712 
1 1 1 -19 16  27 o 55.090  5.2589  384.877    69.442   463.625    99.552   310.250    96.913   59.553  7.0246  47.666  8.7000  11.88725       11.18190 
1 1 1 -19 16  28 o 49.555  5.8300  315.585    68.760   244.539    94.790   394.486    99.893   41.638  9.5813  54.365  7.7958  -12.72741      12.35219 
1 1 1 -19 16  29 o 15.679  7.3643  -61.4885   71.313   204.935    151.712  -137.0504  80.795   36.808  13.275  14.299  6.9933  22.50828       15.00425 
1 1 1 -19 16  30 o 60.509  8.0597  494.027    115.388  211.814    210.771  614.808    137.887  37.383  15.078  67.071  8.6762  -29.68752      17.39596 
1 1 1 -19 16  31 o 93.701  6.9524  1153.57    156.940  1007.58    275.320  1223.83    191.012  77.475  15.189  94.920  8.3796  -17.44485      17.34689 
1 1 1 -19 16  32 o 56.584  5.8568  415.176    79.247   478.068    112.583  353.412    111.569  59.164  8.0516  49.595  9.6184  9.568466       12.54359 
1 1 1 -19 16  33 o 34.919  7.7747  169.737    64.181   225.501    91.235   115.107    90.303   39.144  9.6638  28.619  10.251  10.52471       14.08768 
1 1 1 -19 16  34 o 42.217  7.1127  242.697    70.269   152.089    96.345   345.674    102.711  31.663  10.628  49.115  8.9482  -17.45206      13.89354 
1 1 1 -19 16  35 o 60.487  5.7675  479.046    83.622   590.781    118.935  369.814    117.595  65.516  7.6242  49.504  10.131  16.01212       12.67954 
1 1 1 -19 16  36 o 39.101  7.5966  214.840    69.475   199.514    96.852   231.084    99.716   35.499  10.505  38.313  10.441  -2.813923      14.81138 
1 1 1 -19 16  37 o 22.956  8.6388  67.933     65.413   -18.9973   93.885   149.943    91.189   19.534  8.9157  30.836  10.340  -11.30166      13.65302 
1 1 1 -19 16  38 o 19.907  8.2151  34.884     64.310   -35.3470   84.381   132.212    99.334   17.786  8.2384  29.020  10.699  -11.23433      13.50346 
1 1 1 -19 16  39 o 29.815  11.238  144.998    110.775  144.998    110.775  0.0000     0.0000   29.815  11.238  ?       ?       0.000000       11.23773 
1 1 1 -19 16  40 o 20.239  8.9849  9.8471     88.117   0.9322     93.364   82.541     266.608  20.219  9.0926  29.744  14.053  -9.525202      16.73780 
1 1 1 -19 16  41 o 21.331  8.4487  52.308     64.969   77.812     93.051   28.049     90.752   24.705  9.9995  21.447  9.3316  3.258446       13.67733 
1 1 1 -19 16  42 o 31.107  8.9142  147.493    70.744   166.215    92.069   120.506    110.538  31.983  10.376  28.109  11.056  3.874647       15.16268 
1 1 1 -19 16  43 o 29.725  8.6216  133.419    65.818   194.601    90.813   65.720     95.527   34.705  10.145  23.991  9.9655  10.71399       14.22070 
1 1 1 -19 16  44 o 18.949  8.6405  -13.6764   87.910   16.216     204.652  -20.4402   97.349   26.375  12.416  19.478  8.9601  6.897289       15.31115 
1 1 1 -19 16  45 o 30.931  10.666  163.277    97.125   108.183    244.410  173.609    105.841  29.017  13.630  31.465  11.116  -2.448090      17.58826 
1 1 1 -19 17  1  o 88.234  4.3284  952.548    92.667   1097.52    139.997  839.500    123.627  94.112  6.1647  82.236  6.2422  11.87672       8.773211 
1 1 1 -19 17  2  o 98.264  4.7797  1183.66    113.962  1388.46    151.729  918.570    172.617  105.977 5.9243  85.259  8.4557  20.71860       10.32450 
1 1 1 -19 17  3  o 75.420  6.1888  706.694    112.257  982.352    203.734  586.522    134.518  87.620  9.7481  67.996  8.3273  19.62362       12.82068 
1 1 1 -19 17  4  o 95.855  6.0812  1138.28    140.705  1785.08    246.397  825.294    171.400  118.986 8.5922  80.558  8.9184  38.42869       12.38404 
1 1 1 -19 17  5  o 116.919 7.7446  1712.70    218.466  0.0000     0.0000   1712.70    218.466  ?       ?       116.919 7.7446  0.000000       7.744618 
1 1 1 -19 17  6  o 18.076  8.0760  -26.7237   72.378   0.0000     0.0000   -26.7237   72.378   ?       ?       18.076  8.0760  0.000000       8.075971 
1 1 1 -19 17  7  o 18.232  8.1303  -25.2687   72.976   0.0000     0.0000   -25.2687   72.976   ?       ?       18.232  8.1303  0.000000       8.130317 
1 1 1 -19 17  8  o 63.229  5.0873  494.642    77.390   405.275    121.113  556.310    100.608  55.916  9.2501  66.752  6.2857  -10.83576      11.18363 
1 1 1 -19 17  9  o 145.686 4.4306  2602.63    156.619  2601.15    219.091  2604.19    223.975  144.893 6.2318  144.910 6.3700  -0.1695251E-01 8.911338 
1 1 1 -19 17  10 o 92.038  4.1298  1037.75    92.227   895.562    127.989  1191.31    133.012  84.752  6.2683  98.060  5.6136  -13.30819      8.414509 
1 1 1 -19 17  11 o 66.610  4.4178  546.923    70.997   487.285    96.796   616.362    104.449  62.275  6.5017  70.216  6.1941  -7.940369      8.979951 
1 1 1 -19 17  12 o 110.143 4.2202  1488.55    112.787  1451.47    158.481  1526.60    160.550  107.955 6.0749  110.759 5.9964  -2.803276      8.535823 
1 1 1 -19 17  13 o 54.840  4.7828  373.184    63.004   339.819    87.224   409.583    91.106   51.597  7.1600  56.878  6.7320  -5.280582      9.827767 
1 1 1 -19 17  14 o 28.660  7.1853  107.265    49.873   21.548     67.968   207.259    73.410   20.553  8.4594  39.830  7.8750  -19.27636      11.55760 
1 1 1 -19 17  15 o 43.898  5.4114  242.391    56.420   275.727    80.072   209.521    79.510   46.209  7.3905  39.793  8.4934  6.416004       11.25867 
1 1 1 -19 17  16 o 74.912  4.3550  693.649    78.817   701.608    112.326  685.930    110.622  74.617  6.2620  73.784  6.2374  0.8326416      8.838472 
1 1 1 -19 17  17 o 99.939  4.2249  1230.71    102.451  1161.22    145.297  1299.43    144.482  96.006  6.2717  101.808 5.8738  -5.801537      8.592769 
1 1 1 -19 17  18 o 56.713  4.7343  400.989    64.553   349.532    91.630   451.695    90.958   51.879  7.4966  59.586  6.3910  -7.707371      9.851094 
1 1 1 -19 17  19 o 71.781  4.4787  639.944    77.616   622.850    106.306  659.459    113.585  70.015  6.3259  71.926  6.5813  -1.911491      9.128550 
1 1 1 -19 17  20 o 76.236  4.4685  722.357    82.298   670.823    112.141  782.508    121.154  72.532  6.4388  78.382  6.4268  -5.850098      9.097372 
1 1 1 -19 17  21 o 70.944  6.3511  642.649    108.171  556.903    124.659  903.991    217.631  65.024  8.0750  80.084  11.532  -15.06063      14.07836 
1 1 1 -19 17  22 o 46.171  7.5586  281.730    81.747   259.381    89.321   397.007    202.857  43.692  8.7306  49.560  15.318  -5.867310      17.63151 
1 1 1 -19 17  23 o 20.333  8.1073  33.849     60.193   22.043     63.615   134.835    186.052  19.720  8.1570  34.294  14.042  -14.57355      16.23886 
1 1 1 -19 17  24 o 16.097  6.7894  7.6900     45.377   -19.6938   56.243   58.754     76.803   15.726  7.0659  23.917  9.2701  -8.191311      11.65594 
1 1 1 -19 17  25 o 46.762  6.1289  282.477    67.866   350.681    99.278   222.646    92.985   50.991  8.3103  39.705  9.7281  11.28562       12.79441 
1 1 1 -19 17  26 o 64.022  4.9639  516.786    76.508   586.725    107.759  445.694    108.644  67.240  6.6938  57.759  7.9640  9.481541       10.40345 
1 1 1 -19 17  27 o 37.191  7.0394  184.339    61.198   205.114    86.432   163.454    86.663   38.115  9.4038  33.872  9.9129  4.243137       13.66372 
1 1 1 -19 17  28 o 75.167  7.0127  740.248    126.425  893.101    241.076  682.265    148.480  75.647  13.636  70.642  8.8571  5.004578       16.25969 
1 1 1 -19 17  29 o 47.288  8.6185  308.964    95.245   445.198    205.378  271.635    107.505  50.476  15.380  43.104  10.399  7.372379       18.56570 
1 1 1 -19 17  30 o 31.506  10.103  143.266    87.471   29.769     192.964  172.620    98.133   29.100  13.080  34.132  10.671  -5.032145      16.88116 
1 1 1 -19 17  31 o 34.687  7.7712  166.664    63.784   158.745    92.305   173.900    88.240   32.737  10.366  34.314  9.9913  -1.577332      14.39702 
1 1 1 -19 17  32 o 48.326  6.4108  309.444    73.317   378.437    107.821  250.105    99.993   51.632  8.9294  40.880  10.132  10.75228       13.50517 
1 1 1 -19 17  33 o 57.061  5.5624  423.158    76.033   461.871    109.716  387.387    105.464  57.651  8.0640  52.287  8.6127  5.363743       11.79858 
1 1 1 -19 17  34 o 60.226  5.4944  472.201    79.408   484.548    112.842  460.089    111.765  58.771  8.1308  57.085  8.3132  1.686207       11.62837 
1 1 1 -19 17  35 o 41.872  7.5479  245.586    73.864   271.892    105.767  220.541    103.200  41.579  10.486  37.024  10.812  4.554798       15.06160 
1 1 1 -19 17  36 o 18.878  7.8941  25.491     60.516   15.309     84.417   36.255     86.799   20.402  8.9354  21.840  9.3084  -1.438276      12.90299 
1 1 1 -19 17  37 o 22.563  8.3254  67.595     60.167   83.999     85.966   51.844     84.238   24.975  9.7720  22.554  9.3625  2.420446       13.53324 
1 1 1 -19 17  38 o 31.214  9.0613  149.990    72.674   187.320    97.468   103.251    109.061  33.589  10.653  26.862  10.842  6.726963       15.20009 
1 1 1 -19 17  39 o 32.949  10.756  181.771    98.872   205.608    105.749  16.176     278.723  34.692  11.107  28.503  13.711  6.189159       17.64543 
1 1 1 -19 17  40 o 21.586  9.4985  24.232     96.385   -7.5924    103.109  244.648    271.357  20.566  9.3701  33.535  15.248  -12.96818      17.89718 
1 1 1 -19 17  41 o 42.705  7.2916  257.196    72.843   282.900    100.596  228.860    105.619  42.336  9.9593  36.845  10.986  5.491131       14.82811 
1 1 1 -19 17  42 o 26.891  9.0672  109.302    70.126   79.117     96.868   142.541    101.650  24.870  10.151  29.560  10.835  -4.690573      14.84721 
1 1 1 -19 17  43 o 42.147  10.832  296.690    111.381  125.559    238.263  344.545    125.996  29.849  13.832  44.666  11.542  -14.81697      18.01556 
1 1 1 -19 17  44 o 34.979  11.142  216.126    106.526  -23.4813   248.338  270.155    117.926  26.311  12.727  38.701  11.624  -12.39004      17.23602 
1 1 1 -19 18  1  o 18.560  7.6224  15.793     55.035   6.6100     143.919  17.366     59.562   27.601  11.880  19.307  7.9296  8.294256       14.28327 
1 1 1 -19 18  2  o 54.057  6.8417  368.272    87.730   307.670    182.833  386.399    99.993   47.415  14.524  55.132  7.6838  -7.717117      16.43116 
1 1 1 -19 18  3  o 23.622  8.5437  59.845     62.908   -45.1764   162.077  78.473     68.259   26.996  12.072  25.930  8.9419  1.065706       15.02262 
1 1 1 -19 18  4  o 51.594  8.6418  343.525    104.360  0.0000     0.0000   343.525    104.360  ?       ?       51.594  8.6418  0.000000       8.641829 
1 1 1 -19 18  5  o 62.322  8.0479  494.677    118.856  0.0000     0.0000   494.677    118.856  ?       ?       62.322  8.0479  0.000000       8.047853 
1 1 1 -19 18  6  o 68.856  6.3033  592.352    104.142  0.0000     0.0000   592.352    104.142  ?       ?       68.856  6.3033  0.000000       6.303286 
1 1 1 -19 18  7  o 46.589  5.7576  272.118    63.701   309.661    104.335  249.808    80.431   48.669  9.1716  44.024  7.8159  4.645016       12.05020 
1 1 1 -19 18  8  o 15.332  6.3876  7.2260     39.413   1.0855     53.759   14.362     57.954   17.116  7.3110  18.790  7.7801  -1.674561      10.67612 
1 1 1 -19 18  9  o 54.483  4.6734  367.562    61.185   368.010    83.750   367.050    89.602   54.010  6.5228  53.774  7.0360  0.2365494      9.594373 
1 1 1 -19 18  10 o 111.445 4.1805  1523.92    113.045  1476.47    157.350  1574.53    162.513  108.907 5.9774  112.476 5.9762  -3.568718      8.452466 
1 1 1 -19 18  11 o 92.489  4.1413  1049.98    92.937   948.846    128.949  1159.30    134.067  87.120  6.1394  96.506  5.7515  -9.386398      8.412558 
1 1 1 -19 18  12 o 73.197  4.3220  660.995    76.421   599.239    105.980  727.886    110.299  68.994  6.4037  76.249  6.0105  -7.254776      8.782522 
1 1 1 -19 18  13 o 69.072  5.4930  595.660    91.300   562.499    103.580  711.164    193.314  66.743  6.4776  72.440  11.373  -5.696793      13.08818 
1 1 1 -19 18  14 o 26.416  6.8710  91.119     44.457   176.099    59.702   -14.6562   66.608   36.844  6.9327  17.787  7.8582  19.05648       10.47916 
1 1 1 -19 18  15 o 69.760  4.4535  602.851    74.990   605.677    106.802  600.103    105.317  69.159  6.4385  68.865  6.3751  0.2931290      9.060746 
1 1 1 -19 18  16 o 104.896 4.2522  1357.19    108.228  1243.54    153.927  1468.30    152.202  99.183  6.4308  108.192 5.8192  -9.009369      8.672785 
1 1 1 -19 18  17 o 87.381  4.2377  942.651    89.849   840.365    126.199  1047.80    127.950  81.364  6.4451  91.270  5.8078  -9.906227      8.675810 
1 1 1 -19 18  18 o 77.464  4.4469  745.267    83.233   737.784    117.499  752.805    117.920  76.130  6.4208  76.931  6.3746  -0.8013458     9.047754 
1 1 1 -19 18  19 f 57.885  4.6962  418.907    65.390   357.875    91.891   481.518    93.072   52.311  7.4502  61.371  6.3416  -9.060158      9.783761 
1 1 1 -19 18  20 o 76.034  6.3841  738.998    116.688  654.461    133.559  1011.65    239.856  70.559  7.9390  83.991  12.120  -13.43218      14.48881 
1 1 1 -19 18  21 o 93.658  6.2335  1118.91    140.849  1073.01    164.988  1242.27    270.456  90.673  7.5683  92.562  12.350  -1.888908      14.48473 
1 1 1 -19 18  22 o 39.423  7.8405  209.030    72.359   244.297    77.775   -18.0892   197.371  42.721  7.7900  28.739  13.043  13.98143       15.19260 
1 1 1 -19 18  23 o 16.340  6.7873  12.237     44.310   62.747     54.629   -84.9025   75.759   22.712  7.9899  15.397  7.3368  7.314750       10.84743 
1 1 1 -19 18  24 o 34.911  7.9441  165.962    65.779   123.563    97.039   202.006    89.472   30.279  10.649  37.756  9.7112  -7.477247      14.41214 
1 1 1 -19 18  25 o 50.005  6.2669  324.106    74.367   279.871    109.029  362.590    101.696  44.102  10.364  51.705  8.3939  -7.602524      13.33680 
1 1 1 -19 18  26 o 15.298  6.9119  -21.7418   54.695   -100.8882  80.428   46.353     74.602   15.384  7.3918  22.575  9.0177  -7.190668      11.66008 
1 1 1 -19 18  27 o 32.618  9.6810  151.738    82.162   7.3978     185.586  186.926    91.631   28.312  12.767  35.917  10.095  -7.604980      16.27607 
1 1 1 -19 18  28 o 65.553  7.4539  572.687    116.453  636.304    227.498  550.098    135.559  60.816  15.401  62.873  9.1547  -2.057377      17.91630 
1 1 1 -19 18  29 o 24.615  9.3462  71.752     76.982   -39.5141   185.082  95.028     84.652   26.394  12.217  26.981  9.8875  -0.5863800     15.71687 
1 1 1 -19 18  30 o 36.372  7.7103  182.862    65.934   386.532    95.352   -3.7437    91.270   53.378  7.5746  20.581  9.1402  32.79707       11.87089 
1 1 1 -19 18  31 o 17.326  7.4419  7.7357     56.259   -17.7190   82.034   30.339     77.302   18.803  8.4831  21.188  8.8950  -2.384493      12.29160 
1 1 1 -19 18  32 o 11.155  5.4927  -101.1974  52.580   -48.9905   80.154   -140.6332  69.664   17.028  7.9354  12.518  6.1932  4.509913       10.06610 
1 1 1 -19 18  33 o 41.448  6.8889  234.565    66.849   251.216    98.505   220.349    91.017   40.473  10.071  38.046  9.7996  2.427090       14.05205 
1 1 1 -19 18  34 o 32.283  8.3272  152.366    65.656   247.919    94.945   64.796     90.892   40.176  9.8219  24.082  9.8320  16.09401       13.89744 
1 1 1 -19 18  35 f 63.544  5.6937  533.223    86.856   599.326    122.271  465.892    123.402  65.066  7.9073  55.655  9.4778  9.411465       12.34314 
1 1 1 -19 18  36 f 47.235  7.0373  310.335    78.194   315.167    112.574  305.830    108.695  44.090  10.644  43.672  10.406  0.4185104      14.88514 
1 1 1 -19 18  37 o 21.680  8.5035  56.811     65.217   119.081    89.712   -12.9757   94.973   27.690  10.174  19.648  8.9676  8.041990       13.56201 
1 1 1 -19 18  38 o 40.419  10.250  264.505    100.675  362.165    112.425  -130.8124  226.193  47.920  9.9926  24.126  11.778  23.79411       15.44606 
1 1 1 -19 18  39 o 20.683  9.1452  16.544     90.400   -15.2331   95.736   278.012    274.615  19.578  8.9613  34.163  15.457  -14.58504      17.86657 
1 1 1 -19 18  40 o 23.851  8.7988  79.509     67.197   137.536    94.591   20.392     95.476   29.190  10.487  21.292  9.4072  7.898726       14.08815 
1 1 1 -19 18  41 o 22.229  8.5377  63.461     64.704   -3.4684    91.648   129.973    91.362   19.780  8.9411  28.555  10.301  -8.774658      13.64018 
1 1 1 -19 18  42 o 23.166  9.7012  59.278     91.577   79.855     282.650  56.865     96.798   29.319  14.026  23.282  9.8732  6.037380       17.15256 
1 1 1 -19 18  43 o 20.242  9.0973  8.1970     93.293   13.308     259.008  7.4350     100.006  27.162  13.103  20.699  9.3498  6.462496       16.09669 
1 1 1 -19 18  44 f 20.979  9.2099  31.073     90.155   83.203     287.253  25.376     94.953   28.148  13.633  20.982  9.3204  7.165930       16.51486 
1 1 1 -19 19  1  o 106.041 5.9669  1395.82    152.904  1866.98    260.157  1147.18    188.992  121.070 8.9187  95.098  8.2729  25.97245       12.16489 
1 1 1 -19 19  2  o 31.641  8.4157  130.809    65.734   -109.1095  153.707  184.510    72.720   23.894  11.086  37.605  8.2008  -13.71104      13.78934 
1 1 1 -19 19  3  o 25.778  9.1612  75.119     71.996   0.0000     0.0000   75.119     71.996   ?       ?       25.778  9.1612  0.000000       9.161175 
1 1 1 -19 19  4  o 83.935  7.4359  888.777    149.872  0.0000     0.0000   888.777    149.872  ?       ?       83.935  7.4359  0.000000       7.435882 
1 1 1 -19 19  5  o 31.514  8.9061  129.884    71.119   0.0000     0.0000   129.884    71.119   ?       ?       31.514  8.9061  0.000000       8.906071 
1 1 1 -19 19  6  o 76.584  4.5299  723.079    83.802   874.629    128.210  610.034    110.731  83.633  6.3658  69.673  6.6299  13.95992       9.191277 
1 1 1 -19 19  7  o 23.946  6.8545  73.484     41.851   56.333     56.158   94.904     62.762   22.587  8.0842  27.328  8.5326  -4.740425      11.75411 
1 1 1 -19 19  8  o 32.771  6.1656  137.684    47.227   169.775    62.114   93.711     72.709   36.161  7.3302  27.577  9.2331  8.583574       11.78902 
1 1 1 -19 19  9  o 76.091  4.2564  713.502    78.270   628.776    107.726  808.241    113.914  70.738  6.3438  80.451  5.8762  -9.713570      8.647121 
1 1 1 -19 19  10 o 32.863  6.3811  139.198    49.048   76.838     65.874   216.780    73.475   25.398  8.7828  40.792  7.7058  -15.39373      11.68405 
1 1 1 -19 19  11 o 62.760  4.4499  487.517    67.324   495.390    92.017   478.448    98.761   62.722  6.1243  61.397  6.7403  1.325409       9.107093 
1 1 1 -19 19  12 o 59.545  5.6753  445.145    81.005   496.249    90.824   246.400    179.110  62.763  6.0385  41.961  14.484  20.80162       15.69219 
1 1 1 -19 19  13 o 113.688 4.2536  1592.65    117.337  1462.10    162.506  1734.85    169.599  107.813 6.2387  117.645 5.9608  -9.832253      8.628620 
1 1 1 -19 19  14 o 117.360 4.2971  1699.34    122.365  1637.42    170.858  1764.55    175.330  114.030 6.1985  118.437 6.1220  -4.407738      8.712079 
1 1 1 -19 19  15 o 78.697  4.3440  767.338    82.627   721.693    117.817  811.519    115.911  75.345  6.5084  80.193  6.0004  -4.848335      8.852352 
1 1 1 -19 19  16 o 56.072  4.8088  393.158    64.792   383.372    91.918   402.821    91.345   54.418  7.1331  55.920  6.8771  -1.501869      9.908338 
1 1 1 -19 19  17 o 105.487 4.3058  1377.27    110.209  1317.17    155.577  1437.80    156.142  101.828 6.3280  106.599 6.0618  -4.770401      8.762935 
1 1 1 -19 19  18 o 88.359  5.9164  989.120    126.113  970.002    154.656  1027.06    217.869  86.446  7.4459  86.172  10.646  0.2736740      12.99181 
1 1 1 -19 19  19 o 47.194  6.8896  290.536    76.570   221.071    89.125   486.314    149.622  39.932  9.3612  58.629  10.920  -18.69652      14.38287 
1 1 1 -19 19  20 o 43.245  7.3835  247.834    74.694   258.752    89.003   221.830    137.360  43.525  8.7314  38.616  12.681  4.908825       15.39663 
1 1 1 -19 19  21 o 61.606  6.7087  492.348    98.662   450.098    109.846  668.703    224.423  58.105  8.0036  64.934  14.599  -6.829117      16.64866 
1 1 1 -19 19  22 o 31.124  8.2583  132.960    63.397   248.972    100.147  55.382     81.895   41.826  10.003  23.958  9.4868  17.86773       13.78607 
1 1 1 -19 19  23 o 47.152  6.2604  288.564    69.855   318.559    102.099  262.164    95.783   47.970  9.1048  43.241  9.3976  4.729446       13.08480 
1 1 1 -19 19  24 o 33.551  7.8229  153.682    62.512   50.938     92.573   239.802    84.754   24.358  9.9312  41.664  8.6661  -17.30539      13.18061 
1 1 1 -19 19  25 o 11.198  5.5061  -101.4217  52.216   -126.6703  78.009   -80.9261   70.284   14.222  6.9374  14.720  7.0289  -0.4981594     9.875875 
1 1 1 -19 19  26 o 24.819  9.4108  71.792     77.981   75.164     189.902  71.108     85.524   30.881  13.467  25.213  9.7796  5.667955       16.64291 
1 1 1 -19 19  27 o 42.607  9.3440  258.685    93.941   479.414    211.245  204.273    104.882  51.850  15.554  36.888  10.936  14.96228       19.01331 
1 1 1 -19 19  28 f 32.244  9.8376  151.527    83.986   9.7932     202.695  180.904    92.280   28.709  13.102  34.929  10.231  -6.219501      16.62357 
1 1 1 -19 19  29 o 27.194  8.2532  103.454    59.225   16.261     83.298   192.594    84.223   20.902  9.0170  36.267  9.4689  -15.36507      13.07544 
1 1 1 -19 19  30 o 54.047  5.7130  380.696    73.784   306.689    103.880  456.049    104.821  45.642  9.6801  57.692  7.6787  -12.05033      12.35587 
1 1 1 -19 19  31 o 25.839  8.4008  93.984     60.335   127.641    84.320   58.670     86.371   29.341  9.9424  23.673  9.6155  5.667833       13.83145 
1 1 1 -19 19  32 o 21.444  8.1216  55.058     58.037   40.015     80.776   71.110     83.442   21.842  9.1258  24.272  9.5871  -2.430698      13.23605 
1 1 1 -19 19  33 o 23.362  8.4684  73.269     61.853   72.455     95.491   73.858     81.186   24.770  10.091  24.213  9.4903  0.5570183      13.85278 
1 1 1 -19 19  34 o 47.662  7.0446  314.851    79.014   357.065    113.674  275.389    109.907  47.837  10.110  40.987  10.873  6.849697       14.84669 
1 1 1 -19 19  35 o 25.153  8.8663  92.172     67.304   -0.6983    97.099   178.051    93.373   20.421  9.2195  32.924  10.426  -12.50321      13.91731 
1 1 1 -19 19  36 o 26.786  9.0599  109.032    70.015   113.119    92.597   103.576    106.987  27.137  10.263  26.670  10.747  0.4675331      14.86072 
1 1 1 -19 19  37 o 29.607  10.961  146.207    104.466  146.207    104.466  0.0000     0.0000   29.607  10.961  ?       ?       0.000000       10.96108 
1 1 1 -19 19  38 o 26.187  10.001  102.517    88.462   105.218    99.293   92.125     194.775  26.560  10.468  28.126  12.839  -1.566370      16.56596 
1 1 1 -19 19  39 o 17.332  7.6906  0.2672     64.482   -47.3058   95.172   40.636     87.671   18.189  8.5318  21.833  9.3313  -3.643732      12.64377 
1 1 1 -19 19  40 o 14.861  6.9242  -36.1909   60.971   9.7550     82.343   -91.9561   90.717   19.620  8.6991  16.188  7.7958  3.432211       11.68114 
1 1 1 -19 19  41 o 25.178  10.301  86.106     100.026  98.197     261.667  84.036     108.247  29.241  13.847  25.307  10.568  3.934259       17.41908 
1 1 1 -19 19  42 o 18.984  8.6125  -4.7417    85.943   65.958     256.090  -13.7148   91.234   28.008  13.386  19.021  8.7217  8.987139       15.97641 
1 1 1 -19 19  43 o 30.041  11.139  164.429    107.978  120.230    298.479  171.085    115.823  28.767  13.924  30.284  11.472  -1.516357      18.04160 
1 1 1 -19 20  1  o 141.621 6.1921  2492.59    212.779  2885.93    338.025  2234.44    273.840  149.888 9.3407  132.418 8.5688  17.47054       12.67572 
1 1 1 -19 20  2  o 103.351 5.9602  1329.55    148.831  1500.39    251.904  1237.94    184.470  107.606 9.7540  98.854  7.7529  8.752007       12.45983 
1 1 1 -19 20  3  o 48.619  6.9809  301.285    79.991   0.0000     0.0000   301.285    79.991   ?       ?       48.619  6.9809  0.000000       6.980895 
1 1 1 -19 20  4  o 30.171  9.4724  117.171    77.230   0.0000     0.0000   117.171    77.230   ?       ?       30.171  9.4724  0.000000       9.472425 
1 1 1 -19 20  5  o 26.075  8.5436  84.382     62.358   42.329     161.242  91.778     67.620   30.233  12.777  27.128  8.8971  3.104181       15.56989 
1 1 1 -19 20  6  o 40.395  6.1562  207.499    58.432   257.024    91.186   172.994    76.113   44.145  8.8215  36.108  8.7738  8.037594       12.44184 
1 1 1 -19 20  7  o 52.626  4.6687  343.918    58.997   364.643    81.488   321.088    85.527   53.684  6.3808  50.029  7.2573  3.654377       9.663514 
1 1 1 -19 20  8  o 52.117  4.7651  337.882    59.592   280.636    81.707   402.936    87.102   46.601  7.4789  56.398  6.4829  -9.796410      9.897608 
1 1 1 -19 20  9  o 86.565  4.1004  921.329    86.126   878.333    119.939  967.102    123.752  83.721  5.9428  87.918  5.8342  -4.196968      8.327973 
1 1 1 -19 20  10 o 100.744 4.1727  1249.27    102.000  1212.65    141.572  1288.80    147.085  98.362  5.9599  101.388 6.0056  -3.026138      8.460963 
1 1 1 -19 20  11 o 106.945 5.0645  1418.88    131.420  1350.67    150.510  1637.78    269.622  103.723 6.0060  110.953 10.127  -7.229805      11.77378 
1 1 1 -19 20  12 o 58.744  4.6492  429.530    65.727   478.170    89.669   373.050    96.624   61.462  6.0930  53.569  7.6511  7.892910       9.780776 
1 1 1 -19 20  13 o 56.513  4.7344  398.515    64.322   424.003    88.191   369.548    94.017   57.660  6.4122  53.326  7.4711  4.333279       9.845527 
1 1 1 -19 20  14 o 50.785  5.0926  324.176    61.908   300.779    83.273   353.086    92.565   48.000  7.3867  51.997  7.5580  -3.997257      10.56823 
1 1 1 -19 20  15 o 86.428  4.2861  924.312    89.884   886.594    123.620  966.618    130.924  83.596  6.1374  87.250  6.2252  -3.653908      8.741888 
1 1 1 -19 20  16 o 12.917  5.8512  -19.6030   39.491   -8.9986    52.100   -33.9231   60.543   15.864  6.9820  15.602  7.1359  0.2625246      9.983421 
1 1 1 -19 20  17 o 47.700  7.1279  297.993    79.968   321.205    94.430   239.139    150.364  48.986  8.2370  39.981  13.275  9.004681       15.62273 
1 1 1 -19 20  18 o 83.894  6.0171  896.676    121.671  924.526    148.460  839.707    212.337  84.233  7.3370  76.281  11.857  7.952202       13.94366 
1 1 1 -19 20  19 o 37.239  7.8396  187.359    68.596   161.439    78.797   268.477    139.398  33.995  9.2888  42.036  12.641  -8.040638      15.68643 
1 1 1 -19 20  20 o 46.239  5.6534  274.098    62.107   182.635    91.749   351.455    84.379   35.754  10.120  51.816  6.8815  -16.06141      12.23775 
1 1 1 -19 20  21 o 80.838  4.9084  822.279    95.820   882.717    133.005  757.062    138.164  82.517  6.7008  75.675  7.6285  6.841843       10.15357 
1 1 1 -19 20  22 o 109.337 4.7258  1496.98    125.373  1724.44    178.166  1273.87    176.456  115.744 6.3685  98.401  7.4456  17.34264       9.797694 
1 1 1 -19 20  23 o 77.034  5.0550  750.021    93.962   711.725    131.109  790.460    134.729  73.333  7.4728  77.497  7.2491  -4.163887      10.41116 
1 1 1 -19 20  24 o 22.575  8.3748  58.963     61.047   45.866     92.317   69.140     81.380   23.882  9.8476  24.824  9.5644  -0.9424992     13.72788 
1 1 1 -19 20  25 o 15.797  7.2859  -38.6704   64.961   -315.5037  196.085  -4.5408    68.850   21.194  10.468  18.245  8.0281  2.948723       13.19228 
1 1 1 -19 20  26 o 76.893  6.9895  781.069    128.981  625.479    248.146  838.665    150.979  57.688  16.743  78.710  8.0173  -21.02203      18.56356 
1 1 1 -19 20  27 o 47.572  8.7137  317.822    96.874   377.786    204.012  300.366    110.076  45.105  15.464  45.014  10.301  0.9135818E-01  18.58106 
1 1 1 -19 20  28 o 22.383  8.0918  62.546     56.420   171.332    81.005   -39.9473   78.628   34.131  9.4558  17.352  8.0075  16.77876       12.39081 
1 1 1 -19 20  29 o 23.890  8.2915  76.343     58.736   56.743     82.011   96.984     84.160   23.351  9.4099  26.683  9.8462  -3.331799      13.61961 
1 1 1 -19 20  30 o 63.787  5.2169  525.822    80.037   547.263    112.774  504.063    113.609  63.099  7.5136  60.093  7.9896  3.006264       10.96762 
1 1 1 -19 20  31 o 42.007  6.8641  241.646    67.547   213.914    98.548   266.218    92.765   36.710  10.521  42.219  9.3061  -5.509399      14.04657 
1 1 1 -19 20  32 o 34.234  8.0157  169.878    65.409   77.263     94.076   256.544    91.005   24.963  10.072  41.188  9.3232  -16.22554      13.72439 
1 1 1 -19 20  33 f 57.660  5.9473  444.313    82.011   478.858    118.234  412.280    113.853  56.937  8.8453  52.280  9.3168  4.657131       12.84692 
1 1 1 -19 20  34 o 25.024  8.9243  91.350     68.378   36.925     98.282   142.407    95.192   22.347  9.7171  29.573  10.532  -7.226536      14.32950 
1 1 1 -19 20  35 o 42.210  8.0361  260.805    79.299   267.973    109.594  252.928    114.884  39.672  11.001  37.857  11.496  1.814987       15.91178 
1 1 1 -19 20  36 o 37.049  11.368  242.045    111.958  242.045    111.958  0.0000     0.0000   37.049  11.368  ?       ?       0.000000       11.36812 
1 1 1 -19 20  37 o 14.234  6.9269  -102.1466  76.491   -165.5136  84.594   181.874    179.095  13.493  6.7017  31.053  13.306  -17.55945      14.89854 
1 1 1 -19 20  38 o 33.922  8.3292  172.976    68.053   43.139     97.465   296.491    95.063   22.508  9.7318  43.863  9.2246  -21.35441      13.40896 
1 1 1 -19 20  39 o 24.688  8.8334  89.354     67.045   134.951    92.184   38.149     97.687   28.790  10.352  22.236  9.6783  6.553925       14.17148 
1 1 1 -19 20  40 o 27.659  10.690  122.958    101.920  50.114     259.936  136.192    110.791  28.052  13.428  28.592  11.120  -0.5396786     17.43447 
1 1 1 -19 20  41 o 21.860  9.5213  39.241     94.681   -342.2997  275.336  90.408     100.830  22.541  11.326  25.184  10.327  -2.642265      15.32757 
1 1 1 -19 20  42 o 20.313  9.1395  14.066     94.467   -3.3906    260.443  16.711     101.370  26.077  12.710  20.891  9.4271  5.185848       15.82473 
1 1 1 -19 21  1  o 82.088  4.4714  831.589    88.726   982.960    134.838  715.998    117.829  88.547  6.3173  75.433  6.5011  13.11407       9.064910 
1 1 1 -19 21  2  o 118.153 6.0123  1742.29    171.796  0.0000     0.0000   1742.29    171.796  ?       ?       118.153 6.0123  0.000000       6.012303 
1 1 1 -19 21  3  o 69.780  5.9779  610.442    100.239  0.0000     0.0000   610.442    100.239  ?       ?       69.780  5.9779  0.000000       5.977932 
1 1 1 -19 21  4  o 34.051  8.3651  153.658    68.616   0.0000     0.0000   153.658    68.616   ?       ?       34.051  8.3651  0.000000       8.365056 
1 1 1 -19 21  5  f 75.955  4.4756  713.187    82.120   709.175    125.843  716.162    108.374  74.742  7.0214  75.578  5.9581  -0.8356323     9.208591 
1 1 1 -19 21  6  o 58.660  4.4256  426.332    62.528   387.433    86.788   468.315    90.163   55.197  6.6116  60.915  6.1860  -5.717869      9.054283 
1 1 1 -19 21  7  o 54.079  4.6446  363.696    60.354   349.927    82.730   379.362    88.244   52.373  6.6609  54.497  6.8230  -2.124084      9.535258 
1 1 1 -19 21  8  o 99.044  4.1102  1207.56    98.777   1205.24    137.395  1210.04    142.109  98.094  5.7983  98.185  5.9938  -0.9064484E-01 8.339369 
1 1 1 -19 21  9  o 91.493  4.1346  1031.30    91.789   905.227    127.129  1168.60    132.665  84.698  6.2297  96.587  5.6858  -11.88846      8.434327 
1 1 1 -19 21  10 o 88.495  5.0802  976.308    108.629  1023.95    125.766  836.342    215.557  90.289  5.7709  77.503  11.838  12.78553       13.16973 
1 1 1 -19 21  11 o 33.002  6.4818  141.889    50.052   161.930    67.494   117.403    74.607   34.769  8.1434  29.734  9.3061  5.035046       12.36598 
1 1 1 -19 21  12 f 16.981  6.7913  20.413     42.368   59.526     56.864   -28.3972   63.522   22.706  8.1340  16.404  7.4269  6.302057       11.01453 
1 1 1 -19 21  13 o 14.464  6.3424  -7.1200    42.646   -63.5324   56.936   64.977     64.366   13.559  6.4320  23.765  8.6350  -10.20628      10.76723 
1 1 1 -19 21  14 f 15.294  6.4890  4.4112     41.846   86.338     55.454   -103.9377  63.772   25.668  8.0214  13.037  6.3398  12.63104       10.22433 
1 1 1 -19 21  15 o 10.491  5.0663  -59.0362   38.972   -137.2274  49.817   64.299     62.567   9.7890  4.9048  23.482  8.5163  -13.69253      9.827728 
1 1 1 -19 21  16 o 26.810  8.5050  95.492     62.118   -9.7445    70.663   453.414    130.317  18.365  8.1046  57.291  9.7221  -38.92612      12.65714 
1 1 1 -19 21  17 o 72.865  6.1424  680.065    107.585  697.394    129.902  642.220    191.971  72.912  7.4472  65.776  12.485  7.135742       14.53739 
1 1 1 -19 21  18 o 55.250  6.6460  397.144    87.309   324.770    103.306  578.068    163.336  48.498  9.1134  63.480  11.003  -14.98113      14.28715 
1 1 1 -19 21  19 o 28.039  6.9854  105.675    47.350   144.860    64.196   58.923     70.121   32.464  8.1591  23.321  8.9044  9.142870       12.07721 
1 1 1 -19 21  20 o 45.174  6.4709  266.820    68.902   353.771    96.974   178.169    97.917   51.188  8.0754  35.030  10.608  16.15760       13.33175 
1 1 1 -19 21  21 o 31.821  8.3317  140.306    65.087   89.143     90.052   196.265    94.179   26.988  10.140  36.798  10.196  -9.810083      14.37981 
1 1 1 -19 21  22 o 23.510  8.5305  67.088     62.785   40.815     98.971   84.782     81.220   24.079  10.085  26.144  9.6677  -2.065207      13.97005 
1 1 1 -19 21  23 o 18.775  7.7542  21.905     57.361   0.1280     89.319   37.190     74.831   20.795  9.1471  21.768  8.9082  -0.9735832     12.76815 
1 1 1 -19 21  24 o 20.206  8.5822  18.261     73.327   0.0009     202.542  21.015     78.663   28.604  13.071  20.927  8.8889  7.676748       15.80704 
1 1 1 -19 21  25 o 18.197  8.2053  -20.2182   76.634   -9.3769    189.559  -22.3363   83.787   27.445  12.580  18.907  8.5475  8.538475       15.20894 
1 1 1 -19 21  26 o 45.805  9.1751  300.572    98.419   327.436    235.056  294.861    108.377  41.142  16.142  44.518  10.246  -3.375992      19.11868 
1 1 1 -19 21  27 f 13.319  6.3607  -65.4144   57.595   -57.6640   95.831   -69.7971   72.063   18.483  8.6346  15.204  7.2192  3.278876       11.25488 
1 1 1 -19 21  28 o 31.051  8.2015  138.267    62.712   171.532    88.943   105.378    88.437   33.514  10.101  27.423  10.098  6.091183       14.28274 
1 1 1 -19 21  29 o 12.732  6.0318  -49.2025   49.749   -60.8437   72.628   -38.9121   68.285   15.518  7.3324  15.938  7.3927  -0.4204979     10.41230 
1 1 1 -19 21  30 o 16.591  7.2170  4.1599     54.252   11.407     78.694   -2.4039    74.895   19.734  8.6354  18.551  8.2571  1.182739       11.94781 
1 1 1 -19 21  31 o 28.627  8.1906  120.517    59.770   78.305     86.558   158.988    82.634   24.645  9.7549  31.858  9.7651  -7.212194      13.80274 
1 1 1 -19 21  32 o 49.141  6.4592  329.629    75.152   330.667    107.651  328.643    104.962  45.924  9.9485  46.047  9.7007  -0.1226540     13.89517 
1 1 1 -19 21  33 o 38.657  7.8914  218.085    71.515   251.568    99.820   182.775    102.508  39.176  10.347  32.667  10.963  6.509300       15.07479 
1 1 1 -19 21  34 o 49.264  6.7333  337.365    78.379   262.204    114.823  402.943    107.254  38.499  11.449  51.648  8.8785  -13.14939      14.48798 
1 1 1 -19 21  35 o 31.354  11.544  176.032    115.590  176.032    115.590  0.0000     0.0000   31.354  11.544  ?       ?       0.000000       11.54424 
1 1 1 -19 21  36 o 22.891  9.7349  54.479     94.559   3.8772     105.435  262.489    213.770  20.974  9.5244  33.675  14.486  -12.70124      17.33690 
1 1 1 -19 21  37 o 14.906  6.9318  -33.3976   60.637   12.988     91.764   -69.3499   80.788   20.441  9.1161  15.817  7.5479  4.624306       11.83529 
1 1 1 -19 21  38 o 18.771  7.8755  27.852     60.535   65.174     86.318   -8.2697    84.918   23.205  9.5400  18.812  8.5448  4.392775       12.80724 
1 1 1 -19 21  39 o 28.900  10.707  140.611    99.724   291.533    279.791  118.648    106.734  33.353  15.286  27.276  10.821  6.076967       18.72840 
1 1 1 -19 21  40 o 20.882  9.1301  30.454     87.806   -183.9284  270.796  55.642     92.820   24.102  11.974  22.642  9.6374  1.460327       15.37072 
1 1 1 -19 21  41 o 26.299  10.418  113.648    98.810   218.330    287.885  99.669     105.201  30.168  14.355  25.434  10.502  4.734653       17.78705 
1 1 1 -19 22  1  o 57.564  6.5378  420.649    89.696   0.0000     0.0000   420.649    89.696   ?       ?       57.564  6.5378  0.000000       6.537765 
1 1 1 -19 22  2  o 36.851  8.1898  179.918    71.330   0.0000     0.0000   179.918    71.330   ?       ?       36.851  8.1898  0.000000       8.189824 
1 1 1 -19 22  3  o 32.609  9.5646  142.308    80.600   0.0000     0.0000   142.308    80.600   ?       ?       32.609  9.5646  0.000000       9.564611 
1 1 1 -19 22  4  o 77.311  4.4732  739.938    83.553   901.599    125.737  612.112    111.808  84.631  6.1655  69.408  6.7233  15.22309       9.122268 
1 1 1 -19 22  5  o 16.240  6.6011  15.051     40.742   12.826     53.710   18.066     62.524   17.924  7.4612  19.507  8.0792  -1.582794      10.99743 
1 1 1 -19 22  6  o 15.088  6.3692  4.7133     39.989   -23.5630   52.863   42.539     61.142   15.093  6.8095  21.453  8.2834  -6.359873      10.72299 
1 1 1 -19 22  7  o 16.679  6.6988  18.497     41.411   -68.7017   53.044   154.585    66.267   12.714  6.0807  34.012  8.1385  -21.29822      10.15922 
1 1 1 -19 22  8  o 86.565  4.1556  924.551    87.285   870.572    121.462  982.195    125.517  83.020  6.0717  88.306  5.8919  -5.285103      8.460486 
1 1 1 -19 22  9  f 70.475  4.3420  616.374    73.886   507.983    102.080  735.647    107.082  62.925  6.7935  76.356  5.8237  -13.43043      8.948057 
1 1 1 -19 22  10 o 47.460  5.0232  283.478    56.966   309.337    78.897   255.314    82.338   48.890  6.8380  43.825  8.0395  5.065132       10.55416 
1 1 1 -19 22  11 o 58.077  4.7117  421.858    65.823   405.146    88.465   442.586    98.522   56.100  6.6269  58.428  7.0950  -2.327271      9.708497 
1 1 1 -19 22  12 o 38.841  5.7797  193.751    52.811   221.340    71.027   159.643    78.974   40.893  7.4321  34.000  9.3029  6.892677       11.90717 
1 1 1 -19 22  13 o 39.438  5.8654  200.271    54.419   177.140    73.725   227.961    80.662   35.989  8.5662  41.018  8.3875  -5.028637      11.98878 
1 1 1 -19 22  14 o 11.242  5.4827  -84.1809   48.650   -80.8455   52.145   -106.5919  135.166  11.978  5.8031  21.304  10.047  -9.326120      11.60250 
1 1 1 -19 22  15 o 26.106  8.8406  88.493     66.667   78.132     73.770   134.655    155.712  25.397  9.2418  32.980  13.074  -7.582619      16.01088 
1 1 1 -19 22  16 o 35.343  8.7181  173.233    74.299   128.989    83.661   338.401    161.642  30.526  9.8900  46.292  13.535  -15.76608      16.76365 
1 1 1 -19 22  17 f 50.008  6.8447  328.238    80.873   288.714    94.286   438.273    157.318  45.757  8.8119  53.834  12.311  -8.076271      15.14002 
1 1 1 -19 22  18 o 15.131  6.4592  3.5864     41.918   74.259     53.692   -106.7215  67.080   23.911  7.9323  13.342  6.4915  10.56911       10.24992 
1 1 1 -19 22  19 o 43.248  6.4966  245.478    66.066   244.143    93.114   246.831    93.753   41.499  9.4578  41.721  9.4769  -0.2217712     13.38886 
1 1 1 -19 22  20 o 48.739  6.1672  308.917    71.302   247.850    98.787   375.327    103.017  41.456  9.9477  52.417  8.3822  -10.96049      13.00844 
1 1 1 -19 22  21 o 27.040  8.4182  100.138    61.141   175.923    82.808   9.3103     90.655   35.006  9.5045  21.439  9.3273  13.56755       13.31672 
1 1 1 -19 22  22 o 64.747  7.6204  562.416    117.427  1223.42    246.038  367.431    133.629  90.893  11.407  49.308  11.397  41.58496       16.12537 
1 1 1 -19 22  23 o 23.412  9.0869  60.225     73.877   -218.5928  202.594  102.987    79.340   23.173  11.276  27.501  9.6315  -4.328375      14.82964 
1 1 1 -19 22  24 o 18.515  8.1108  0.3590     69.588   -229.1636  200.325  31.856     74.209   22.688  11.078  21.132  8.7811  1.556427       14.13622 
1 1 1 -19 22  25 o 40.032  7.9048  222.946    74.058   291.483    108.354  162.861    101.454  44.064  10.316  32.720  10.906  11.34363       15.01230 
1 1 1 -19 22  26 o 14.303  6.6756  -42.0422   57.060   -61.8205   89.614   -28.5559   73.999   17.604  8.2641  17.267  7.8944  0.3365269      11.42877 
1 1 1 -19 22  27 o 18.953  7.9289  23.364     61.087   19.633     99.299   25.636     77.484   22.143  9.6947  20.687  8.8053  1.456219       13.09659 
1 1 1 -19 22  28 o 18.574  7.6750  25.909     56.235   -57.4735   84.679   91.700     75.217   17.052  8.0143  25.647  9.3321  -8.594215      12.30109 
1 1 1 -19 22  29 o 12.922  6.1389  -52.4621   52.243   -49.0419   73.662   -55.9235   74.105   16.042  7.5186  15.803  7.4486  0.2388802      10.58350 
1 1 1 -19 22  30 o 46.133  6.4036  289.574    69.747   327.163    100.497  254.644    96.876   46.562  9.2215  40.185  9.9807  6.376751       13.58862 
1 1 1 -19 22  31 o 57.071  5.9467  437.362    81.139   399.705    114.074  475.922    115.433  50.906  9.5871  56.711  8.6637  -5.805012      12.92179 
1 1 1 -19 22  32 o 43.638  7.4535  272.593    76.087   214.402    103.554  340.866    112.166  35.242  10.953  45.802  10.338  -10.55978      15.06131 
1 1 1 -19 22  33 o 45.314  6.9304  288.932    73.778   221.432    100.822  366.745    108.250  35.905  10.740  48.333  9.5689  -12.42895      14.38413 
1 1 1 -19 22  34 o 24.366  9.9997  79.057     94.628   79.057     94.628   0.0000     0.0000   24.366  9.9997  ?       ?       0.000000       9.999682 
1 1 1 -19 22  35 o 22.252  9.4081  51.495     87.469   41.024     97.780   93.435     195.696  22.212  9.6752  27.656  12.715  -5.443714      15.97773 
1 1 1 -19 22  36 o 17.274  7.6654  1.9483     64.069   9.1137     87.205   -6.4554    94.441   19.823  8.8602  19.650  8.9583  0.1736450      12.59975 
1 1 1 -19 22  37 o 22.768  8.6215  71.281     65.394   119.952    91.638   20.776     93.349   27.341  10.237  20.885  9.2608  6.456804       13.80465 
1 1 1 -19 22  38 o 31.858  11.087  180.983    105.057  125.989    276.844  190.235    113.551  29.362  14.001  32.211  11.499  -2.848743      18.11771 
1 1 1 -19 22  39 o 22.587  9.7312  52.831     96.758   393.149    256.138  -3.8165    104.501  35.910  15.650  20.304  9.3189  15.60612       18.21440 
1 1 1 -19 22  40 o 26.245  10.685  113.981    106.973  23.287     284.848  128.872    115.422  26.592  13.032  27.188  11.087  -0.5958824     17.11025 
1 1 1 -19 23  1  o 19.684  8.1114  20.452     62.584   0.0000     0.0000   20.452     62.584   ?       ?       19.684  8.1114  0.000000       8.111439 
1 1 1 -19 23  2  o 18.620  7.7717  13.767     58.495   0.0000     0.0000   13.767     58.495   ?       ?       18.620  7.7717  0.000000       7.771677 
1 1 1 -19 23  3  o 78.405  4.4957  762.473    85.170   893.823    129.474  662.277    113.081  83.996  6.4009  72.177  6.5276  11.81957       9.142246 
1 1 1 -19 23  4  o 15.847  6.5348  11.624     40.655   -153.0557  76.374   76.737     48.024   13.429  6.6142  24.368  7.4401  -10.93826      9.954999 
1 1 1 -19 23  5  o 54.071  4.5181  364.313    58.733   419.013    81.312   304.637    84.929   57.500  5.9123  48.300  7.4893  9.199448       9.541718 
1 1 1 -19 23  6  o 24.463  6.9243  78.368     42.955   103.273    60.420   52.915     61.080   27.902  8.3066  22.359  8.3608  5.543133       11.78565 
1 1 1 -19 23  7  o 113.839 4.2169  1602.13    116.479  1493.08    162.007  1718.82    167.588  108.591 6.1741  116.714 5.9373  -8.123245      8.565701 
1 1 1 -19 23  8  o 45.393  5.0956  260.076    55.154   219.246    73.931   311.320    82.825   40.602  7.7877  48.841  7.2053  -8.239033      10.60968 
1 1 1 -19 23  9  o 20.307  7.1485  48.131     43.737   93.546     56.812   -17.9455   68.528   26.577  8.0872  17.660  7.8766  8.917095       11.28911 
1 1 1 -19 23  10 o 18.268  6.8299  34.129     40.756   84.880     53.827   -34.0604   62.393   25.413  7.8965  15.849  7.2472  9.564170       10.71802 
1 1 1 -19 23  11 o 60.660  4.6032  460.593    67.248   450.082    92.699   472.270    97.703   59.033  6.5839  60.373  6.7873  -1.340134      9.455950 
1 1 1 -19 23  12 o 25.032  7.4902  83.121     49.035   95.749     64.168   65.398     76.022   26.852  8.6576  24.421  9.2841  2.430830       12.69440 
1 1 1 -19 23  13 o 33.022  8.7324  150.990    71.039   152.693    79.370   144.132    159.286  33.010  9.4364  33.566  13.250  -0.5559158     16.26661 
1 1 1 -19 23  14 o 19.642  8.0089  26.968     60.212   32.923     65.914   -3.0523    147.990  20.739  8.4082  25.828  11.543  -5.088989      14.28085 
1 1 1 -19 23  15 o 25.264  8.5026  83.343     61.662   91.595     67.160   39.040     155.612  26.338  8.8735  27.972  12.194  -1.634567      15.08105 
1 1 1 -19 23  16 o 77.554  4.4183  753.024    82.797   687.034    113.492  828.109    121.060  72.775  6.4954  80.106  6.2786  -7.331360      9.033906 
1 1 1 -19 23  17 o 48.085  5.8426  298.631    66.767   355.792    91.095   232.280    98.145   51.599  7.4952  40.039  10.102  11.55924       12.57928 
1 1 1 -19 23  18 o 30.261  8.1422  126.811    61.097   112.414    86.148   141.381    86.661   28.750  10.038  31.479  10.052  -2.729160      14.20576 
1 1 1 -19 23  19 o 31.810  7.9472  139.911    61.163   211.939    86.907   69.225     86.094   38.504  9.3871  25.054  9.7858  13.45033       13.56025 
1 1 1 -19 23  20 o 19.337  7.6757  33.067     53.732   36.779     74.836   29.117     77.197   21.686  8.8953  21.347  8.9204  0.3386478      12.59765 
1 1 1 -19 23  21 o 50.485  8.3158  351.522    98.320   533.669    203.334  295.938    112.324  55.574  14.811  44.628  10.541  10.94591       18.17886 
1 1 1 -19 23  22 o 82.778  6.9822  908.433    138.930  817.268    272.682  940.394    161.457  65.679  16.984  83.022  8.1188  -17.34357      18.82506 
1 1 1 -19 23  23 o 28.925  9.9875  119.471    85.169   279.542    216.896  90.290     92.608   38.994  15.439  26.649  10.219  12.34485       18.51511 
1 1 1 -19 23  24 o 34.244  8.6054  168.833    71.416   262.250    108.812  98.141     94.657   41.202  10.765  27.176  10.353  14.02616       14.93568 
1 1 1 -19 23  25 o 40.309  7.5556  225.816    71.182   434.026    105.086  49.286     96.762   55.808  7.9883  23.718  9.9543  32.09006       12.76325 
1 1 1 -19 23  26 f 20.136  8.1415  37.862     61.614   92.073     93.183   -4.2529    82.131   26.286  10.205  19.283  8.6101  7.002663       13.35166 
1 1 1 -19 23  27 o 18.941  8.0123  21.833     63.491   200.134    100.233  -97.6490   82.051   35.170  10.751  15.257  7.3635  19.91344       13.03055 
1 1 1 -19 23  28 o 31.545  8.3933  147.562    65.369   127.141    98.531   163.616    87.364   28.652  10.638  32.088  10.075  -3.435682      14.65137 
1 1 1 -19 23  29 o 24.293  8.4804  84.523     61.485   146.867    92.461   35.097     82.325   30.115  10.406  21.231  9.0573  8.884588       13.79548 
1 1 1 -19 23  30 o 18.534  7.8810  22.198     61.956   7.3445     87.171   37.361     88.075   19.874  8.8724  21.617  9.2989  -1.743181      12.85259 
1 1 1 -19 23  31 o 51.112  6.3965  359.446    77.591   384.571    106.407  330.918    113.386  50.097  9.0885  44.571  10.633  5.526283       13.98797 
1 1 1 -19 23  32 f 24.521  8.6363  89.733     63.844   109.832    86.562   65.756     94.545   26.442  9.9402  23.459  9.8422  2.983582       13.98845 
1 1 1 -19 23  33 o 14.314  6.9522  -95.1847   76.038   -95.1847   76.038   0.0000     0.0000   14.314  6.9522  ?       ?       0.000000       6.952166 
1 1 1 -19 23  34 f 18.052  8.2981  -18.4988   83.292   -15.7529   90.809   -33.0549   209.077  18.847  8.6638  24.669  11.869  -5.821844      14.69461 
1 1 1 -19 23  35 o 12.233  5.9983  -98.3327   60.616   -60.4916   87.925   -132.6074  83.680   16.806  7.9782  14.123  6.9494  2.682912       10.58039 
1 1 1 -19 23  36 o 14.820  6.9433  -39.4359   62.713   -51.4560   91.660   -28.8574   85.989   17.497  8.2584  17.861  8.2884  -0.3635464     11.70040 
1 1 1 -19 23  37 o 19.700  8.9681  -1.8766    94.208   176.772    260.680  -28.7141   101.037  30.084  14.114  19.113  8.9078  10.97138       16.68998 
1 1 1 -19 23  38 o 22.275  9.8136  42.849     103.176  190.128    250.536  12.770     113.223  29.892  13.964  21.454  9.7916  8.438221       17.05457 
1 1 1 -19 23  39 o 29.167  10.920  157.436    104.250  -131.8635  283.869  202.537    112.082  24.307  12.106  32.264  11.434  -7.956593      16.65209 
1 1 1 -19 24  1  o 58.987  6.5020  445.139    91.515   0.0000     0.0000   445.139    91.515   ?       ?       58.987  6.5020  0.000000       6.501986 
1 1 1 -19 24  2  o 40.643  8.2248  221.004    78.325   0.0000     0.0000   221.004    78.325   ?       ?       40.643  8.2248  0.000000       8.224784 
1 1 1 -19 24  3  o 62.256  4.8497  484.763    72.680   532.767    115.297  453.110    93.625   63.963  7.5761  59.423  6.6052  4.540035       10.05118 
1 1 1 -19 24  4  o 105.520 4.1333  1376.21    105.827  1288.72    147.968  1467.83    151.415  100.878 6.0735  107.873 5.8062  -6.994980      8.402330 
1 1 1 -19 24  5  o 48.852  4.7288  299.383    55.351   226.420    77.146   376.792    79.462   41.152  8.0142  54.285  6.1408  -13.13255      10.09638 
1 1 1 -19 24  6  o 67.578  4.2999  568.076    70.140   553.758    98.545   582.777    99.854   65.829  6.2442  67.592  6.1559  -1.762947      8.768393 
1 1 1 -19 24  7  o 14.213  6.1994  -4.6842    40.269   -30.8830   54.390   27.097     59.905   14.790  6.7641  19.739  8.0113  -4.949111      10.48490 
1 1 1 -19 24  8  o 41.149  5.4556  216.259    53.129   178.820    70.610   265.115    80.660   36.278  8.2128  44.616  7.7310  -8.337852      11.27909 
1 1 1 -19 24  9  o 23.372  7.0846  71.578     43.660   115.995    58.343   15.045     65.821   29.238  7.9943  19.414  8.1822  9.823929       11.43928 
1 1 1 -19 24  10 o 63.251  4.5110  500.794    68.778   540.777    94.774   456.309    99.968   64.942  6.0855  59.031  7.1233  5.910290       9.368790 
1 1 1 -19 24  11 o 72.275  6.1365  670.537    106.598  705.933    128.829  593.684    189.829  73.328  7.3392  62.495  12.944  10.83238       14.88015 
1 1 1 -19 24  12 o 22.080  8.5358  49.701     64.987   -22.0917   71.623   384.155    154.589  17.673  7.9542  49.931  12.723  -32.25731      15.00504 
1 1 1 -19 24  13 o 49.190  7.4068  322.329    85.663   265.074    97.564   515.007    178.977  43.286  9.5457  57.563  13.108  -14.27661      16.21522 
1 1 1 -19 24  14 o 29.904  8.8914  124.660    69.260   135.756    76.749   75.983     160.752  31.038  9.3897  29.728  12.669  1.309702       15.76914 
1 1 1 -19 24  15 o 43.866  5.6278  248.221    58.520   271.478    79.535   220.768    86.412   44.897  7.5702  39.501  9.1889  5.396038       11.90562 
1 1 1 -19 24  16 o 37.095  7.0549  184.737    61.180   131.999    89.062   231.858    84.186   30.552  10.219  40.698  8.7828  -10.14583      13.47448 
1 1 1 -19 24  17 o 54.156  5.5105  376.500    71.402   310.162    100.092  445.239    101.887  46.961  9.1128  57.699  7.4517  -10.73802      11.77164 
1 1 1 -19 24  18 o 33.225  7.6230  151.726    60.151   120.222    82.902   186.747    87.408   29.274  9.8587  35.815  9.7819  -6.541660      13.88815 
1 1 1 -19 24  19 o 20.392  8.0319  39.888     58.413   18.809     80.223   63.674     85.220   20.886  8.9264  24.432  9.6765  -3.546007      13.16496 
1 1 1 -19 24  20 o 22.017  8.8095  46.437     71.323   -28.1866   148.901  68.656     81.251   24.287  11.139  24.501  9.5241  -0.2143211     14.65522 
1 1 1 -19 24  21 o 27.652  9.5308  106.854    77.542   68.889     167.261  117.247    87.515   28.852  12.608  28.769  10.113  0.8275795E-01  16.16310 
1 1 1 -19 24  22 o 39.214  9.3465  225.297    87.671   181.114    182.760  238.503    99.917   33.994  13.917  39.663  10.293  -5.669758      17.31019 
1 1 1 -19 24  23 o 18.088  7.5804  18.822     55.984   26.455     82.668   12.356     76.086   21.275  9.0763  19.777  8.5747  1.497910       12.48614 
1 1 1 -19 24  24 o 24.752  8.5547  84.657     62.492   53.933     95.582   107.595    82.590   23.822  9.9379  27.362  9.8027  -3.539587      13.95902 
1 1 1 -19 24  25 f 30.497  8.6250  137.375    66.676   184.345    103.188  103.706    87.363   33.710  10.988  26.923  10.013  6.787205       14.86529 
1 1 1 -19 24  26 o 28.865  8.5479  123.675    64.108   120.757    96.933   125.943    85.471   28.226  10.537  28.653  9.9988  -0.4277439     14.52586 
1 1 1 -19 24  27 o 20.432  8.0598  46.600     58.904   -21.2226   90.793   95.896     77.405   18.986  8.7037  25.702  9.4494  -6.716640      12.84701 
1 1 1 -19 24  28 o 35.058  8.7276  186.855    73.952   199.515    111.120  176.789    99.081   33.731  11.414  32.362  10.777  1.369854       15.69789 
1 1 1 -19 24  29 o 21.711  8.3801  60.532     62.563   60.107     86.135   61.006     91.021   22.853  9.4754  23.149  9.6810  -0.2964096     13.54639 
1 1 1 -19 24  30 o 45.226  6.8619  288.051    72.936   288.619    100.429  287.418    106.100  42.096  9.9836  41.306  10.549  0.7894287      14.52406 
1 1 1 -19 24  31 o 21.092  9.1714  34.279     87.549   6.7460     96.505   162.305    208.098  20.281  9.1705  29.583  13.413  -9.301842      16.24864 
1 1 1 -19 24  32 o 32.924  10.982  194.695    102.865  194.695    102.865  0.0000     0.0000   32.924  10.982  ?       ?       0.000000       10.98201 
1 1 1 -19 24  33 o 25.539  9.8071  100.957    85.365   83.315     94.029   183.675    203.606  24.412  9.9873  30.147  13.502  -5.734682      16.79415 
1 1 1 -19 24  34 o 18.992  8.0306  29.026     63.738   20.551     88.137   38.317     92.285   20.356  9.0140  21.599  9.4040  -1.242945      13.02641 
1 1 1 -19 24  35 o 17.891  7.8556  10.711     65.613   -37.1599   93.643   56.877     91.961   18.159  8.5003  22.662  9.6176  -4.502468      12.83561 
1 1 1 -19 24  36 o 32.364  11.127  191.564    105.657  -57.5062   273.439  235.278    114.555  25.701  12.630  35.380  11.579  -9.678772      17.13460 
1 1 1 -19 24  37 o 20.371  9.2675  8.1505     100.406  -289.3880  263.077  58.881     108.629  22.173  11.132  23.222  10.154  -1.049576      15.06740 
1 1 1 -19 24  38 o 22.426  9.7354  57.066     98.324   268.201    253.402  19.645     106.683  30.689  14.237  21.016  9.5579  9.672577       17.14754 
1 1 1 -19 25  1  o 13.979  6.5896  -57.7970   58.026   0.0000     0.0000   -57.7970   58.026   ?       ?       13.979  6.5896  0.000000       6.589646 
1 1 1 -19 25  2  o 46.219  5.8556  273.367    64.196   254.519    107.467  283.825    80.048   42.362  10.506  46.450  7.3467  -4.087360      12.82025 
1 1 1 -19 25  3  o 14.851  6.2551  5.9326     38.429   22.914     48.937   -21.3842   62.067   18.041  7.2692  16.523  7.4236  1.517366       10.38999 
1 1 1 -19 25  4  o 34.082  5.9019  150.623    47.040   124.681    65.835   177.681    67.235   30.235  8.5773  36.310  7.8594  -6.074823      11.63359 
1 1 1 -19 25  5  o 24.430  7.0229  78.986     43.846   52.716     60.893   107.273    63.187   22.147  8.3349  28.183  8.5184  -6.035370      11.91782 
1 1 1 -19 25  6  o 54.236  4.5373  368.759    59.161   280.891    81.536   466.450    85.974   45.961  7.5754  60.383  5.9451  -14.42232      9.629646 
1 1 1 -19 25  7  o 97.245  4.1433  1173.66    97.764   1070.21    136.655  1282.10    139.921  91.422  6.1970  100.445 5.7652  -9.022919      8.464039 
1 1 1 -19 25  8  o 66.146  4.3871  547.076    70.011   431.300    97.573   669.935    100.513  57.275  7.1787  72.471  5.7637  -15.19610      9.206198 
1 1 1 -19 25  9  o 42.106  7.5502  237.832    74.304   186.349    86.528   382.408    145.002  36.194  9.6692  50.417  12.022  -14.22293      15.42825 
1 1 1 -19 25  10 o 42.301  7.6124  240.848    75.261   308.067    87.662   52.401     146.777  47.838  7.8227  28.003  12.024  19.83465       14.34457 
1 1 1 -19 25  11 o 39.839  7.5769  214.444    70.566   244.693    81.073   119.908    143.326  42.277  8.1992  31.242  12.492  11.03522       14.94282 
1 1 1 -19 25  12 o 20.259  7.8380  40.835     54.829   67.024     59.838   -96.2548   136.906  23.323  8.3451  21.455  10.116  1.867765       13.11414 
1 1 1 -19 25  13 o 67.474  4.6235  573.413    75.240   424.435    101.249  757.140    112.439  56.258  7.6128  76.574  6.1023  -20.31628      9.756682 
1 1 1 -19 25  14 o 17.985  7.4280  19.445     52.638   35.718     77.362   5.4178     71.828   21.859  9.0143  19.222  8.3325  2.636971       12.27550 
1 1 1 -19 25  15 o 33.699  7.6774  156.113    61.375   212.489    89.182   105.386    84.595   38.352  9.6047  27.950  9.9307  10.40135       13.81555 
1 1 1 -19 25  16 o 18.125  7.4671  20.929     53.019   -19.1740   79.706   52.757     71.007   18.645  8.3914  22.601  8.8703  -3.955395      12.21055 
1 1 1 -19 25  17 o 29.114  8.3750  118.965    62.337   52.702     89.171   182.299    87.178   23.881  9.7429  35.254  9.8246  -11.37287      13.83645 
1 1 1 -19 25  18 o 42.266  8.9500  254.344    88.927   537.661    177.730  159.729    102.708  57.726  13.001  32.654  10.974  25.07191       17.01337 
1 1 1 -19 25  19 o 20.417  8.5159  27.947     70.170   -81.1930   154.684  56.225     78.737   22.881  10.778  23.266  9.2738  -0.3852863     14.21833 
1 1 1 -19 25  20 o 21.612  8.8301  41.007     73.380   114.726    160.783  21.612     82.470   30.412  12.801  21.064  9.0278  9.347578       15.66422 
1 1 1 -19 25  21 o 31.333  9.7345  146.693    81.804   213.632    174.901  127.949    92.551   35.288  13.899  29.471  10.396  5.817587       17.35656 
1 1 1 -19 25  22 o 14.495  6.6825  -30.4119   54.558   2.3228     78.678   -60.7323   75.721   19.357  8.5467  15.940  7.5182  3.417065       11.38288 
1 1 1 -19 25  23 o 14.379  6.5453  -20.3430   50.170   -52.4019   70.592   12.377     71.315   15.582  7.3213  19.130  8.2977  -3.547826      11.06583 
1 1 1 -19 25  24 o 18.525  7.8595  19.620     61.382   140.282    94.992   -66.8814   80.429   29.893  10.534  16.124  7.6474  13.76905       13.01698 
1 1 1 -19 25  25 o 21.718  8.5886  54.704     67.041   14.429     108.465  79.603     85.282   22.072  9.8721  24.617  9.7021  -2.544977      13.84152 
1 1 1 -19 25  26 o 16.079  7.2482  -11.5649   59.745   -48.4659   97.607   10.544     75.552   18.417  8.6391  19.115  8.4103  -0.6978645     12.05681 
1 1 1 -19 25  27 o 27.281  8.9224  114.509    68.022   142.056    95.917   86.636     96.482   29.290  10.557  25.112  10.176  4.178293       14.66245 
1 1 1 -19 25  28 o 15.350  7.2024  -42.4573   67.909   57.003     97.281   -136.9924  94.842   23.079  9.8459  15.217  7.4698  7.862773       12.35874 
1 1 1 -19 25  29 f 29.273  8.9765  136.298    69.818   110.619    98.167   162.583    99.317   26.416  10.410  30.426  10.766  -4.010195      14.97542 
1 1 1 -19 25  30 o 28.048  10.054  131.779    86.894   86.227     96.550   325.960    199.341  24.601  10.099  35.705  14.567  -11.10366      17.72534 
1 1 1 -19 25  31 o 29.564  10.571  153.268    95.994   187.918    106.453  2.4679     222.078  31.958  11.158  25.426  12.233  6.532280       16.55779 
1 1 1 -19 25  32 o 44.441  9.6648  319.887    101.249  305.661    113.536  375.148    223.770  41.526  11.068  36.472  15.210  5.053627       18.81014 
1 1 1 -19 25  33 o 25.094  8.7007  96.931     64.670   60.845     88.136   139.018    95.184   22.646  9.5021  28.462  10.476  -5.815996      14.14371 
1 1 1 -19 25  34 o 16.273  7.3976  -12.2513   63.821   -133.5814  85.371   141.463    96.091   14.211  6.9978  28.621  10.527  -14.40979      12.64103 
1 1 1 -19 25  35 o 32.136  11.525  197.206    114.188  -5.9991    273.908  239.950    125.625  26.245  12.844  34.657  12.120  -8.411236      17.66023 
1 1 1 -19 25  36 o 33.186  11.694  217.749    117.072  389.456    279.314  181.154    128.946  33.717  15.385  30.089  11.907  3.628492       19.45457 
1 1 1 -19 25  37 o 30.093  11.023  174.950    105.196  -246.0986  257.973  258.928    115.210  21.930  11.012  36.109  11.596  -14.17865      15.99183 
1 1 1 -19 26  1  o 20.403  7.8419  41.004     54.611   201.289    97.430   -32.4225   65.943   37.513  10.361  16.406  7.4819  21.10673       12.78040 
1 1 1 -19 26  2  o 67.062  4.3460  561.390    70.337   576.158    96.726   544.816    102.466  67.104  6.0041  64.895  6.5992  2.209053       8.921787 
1 1 1 -19 26  3  o 45.317  5.1573  260.991    55.698   187.113    74.537   354.408    83.815   36.882  8.5031  52.100  6.7917  -15.21780      10.88251 
1 1 1 -19 26  4  o 14.297  6.1456  0.5851     38.418   38.202     53.753   -38.6932   54.927   19.996  7.7539  14.375  6.6544  5.620352       10.21782 
1 1 1 -19 26  5  o 49.238  4.8560  306.514    57.260   255.375    79.587   361.394    82.446   43.534  7.8218  52.656  6.5979  -9.121178      10.23292 
1 1 1 -19 26  6  o 50.936  4.6785  327.150    57.176   372.196    78.918   277.380    82.952   53.638  6.1765  45.375  7.8165  8.263489       9.962294 
1 1 1 -19 26  7  o 42.107  7.3315  237.251    72.183   270.878    83.082   133.720    145.779  44.711  7.9496  32.189  12.685  12.52160       14.97045 
1 1 1 -19 26  8  o 70.395  6.2321  640.609    105.348  599.876    124.725  742.010    196.790  66.951  7.8254  70.572  11.917  -3.621040      14.25638 
1 1 1 -19 26  9  o 57.774  6.5783  436.485    90.572   472.742    107.226  346.195    169.210  59.457  7.6069  45.770  13.964  13.68724       15.90111 
1 1 1 -19 26  10 o 36.649  8.2239  186.149    71.335   163.585    82.551   252.675    141.745  33.724  9.6178  39.872  12.869  -6.148533      16.06560 
1 1 1 -19 26  11 o 19.989  8.0075  34.154     59.007   -3.1509    66.910   164.682    125.158  18.082  7.9363  33.425  12.057  -15.34317      14.43444 
1 1 1 -19 26  12 o 23.708  7.2715  75.275     45.811   86.976     62.380   61.577     67.496   25.497  8.5521  23.160  8.7616  2.336502       12.24354 
1 1 1 -19 26  13 o 48.251  5.6936  301.268    65.375   261.286    93.566   339.404    91.381   42.790  9.2790  49.982  7.7887  -7.191433      12.11465 
1 1 1 -19 26  14 o 62.848  5.0668  503.199    76.610   629.278    109.429  382.000    107.290  69.226  6.5945  52.312  8.7626  16.91380       10.96676 
1 1 1 -19 26  15 o 52.088  5.8145  352.314    72.233   389.703    105.124  318.873    99.420   53.003  8.4584  47.500  8.9545  5.502701       12.31775 
1 1 1 -19 26  16 o 33.371  8.2275  156.993    66.197   165.693    94.373   148.565    92.879   33.261  10.476  31.696  10.429  1.565157       14.78182 
1 1 1 -19 26  17 o 27.108  9.3998  101.902    75.480   171.217    150.758  78.714     87.195   33.391  12.975  25.496  9.8787  7.895008       16.30780 
1 1 1 -19 26  18 o 23.664  9.1279  65.841     74.187   145.680    161.995  44.653     83.453   31.935  13.092  22.656  9.3546  9.279385       16.09073 
1 1 1 -19 26  19 o 17.752  7.8743  -5.5632    67.539   -58.4263   143.591  9.4543     76.533   22.502  10.531  19.656  8.5608  2.846127       13.57144 
1 1 1 -19 26  20 o 30.223  8.0991  131.115    60.598   221.960    83.158   28.254     88.486   38.890  8.9921  21.782  9.3438  17.10772       12.96783 
1 1 1 -19 26  21 o 19.307  7.8190  33.472     56.931   -0.1329    82.265   64.359     78.867   19.486  8.6645  23.474  9.3051  -3.988241      12.71453 
1 1 1 -19 26  22 o 19.917  7.9152  40.906     57.201   31.789     79.696   50.593     82.150   21.055  8.9451  22.508  9.2864  -1.453344      12.89386 
1 1 1 -19 26  23 o 27.313  8.3211  110.007    60.120   110.064    83.320   109.945    86.834   27.119  9.8289  27.135  10.003  -0.1600456E-01 14.02414 
1 1 1 -19 26  24 o 23.680  8.6942  77.948     65.495   118.991    98.258   45.134     87.859   27.743  10.553  22.217  9.4131  5.526346       14.14115 
1 1 1 -19 26  25 o 19.922  8.0384  41.782     59.931   -60.6383   90.299   122.413    80.120   17.180  8.1352  27.874  9.6834  -10.69409      12.64707 
1 1 1 -19 26  26 o 15.425  7.1394  -29.0182   63.199   -12.3319   100.062  -40.0925   81.516   19.833  9.1089  16.993  7.9467  2.840809       12.08813 
1 1 1 -19 26  27 o 18.610  7.9314  24.643     63.012   89.671     94.919   -26.5932   84.255   24.909  10.093  17.746  8.2243  7.162523       13.01964 
1 1 1 -19 26  28 o 21.528  8.6374  58.213     68.771   85.835     102.758  35.803     92.555   24.699  10.304  21.365  9.3567  3.334181       13.91838 
1 1 1 -19 26  29 o 21.611  9.6176  32.111     101.570  -22.4521   107.819  462.303    302.745  19.691  9.1855  35.586  16.152  -15.89466      18.58122 
1 1 1 -19 26  30 o 25.194  9.9538  99.030     89.969   73.214     100.869  199.483    198.976  23.744  10.074  30.141  13.434  -6.396931      16.79182 
1 1 1 -19 26  31 o 43.606  7.5821  279.948    77.311   241.107    110.790  316.814    107.936  35.915  11.355  43.049  10.441  -7.133286      15.42515 
1 1 1 -19 26  32 o 46.376  7.1309  309.563    77.673   352.250    104.875  257.701    115.598  46.732  9.5710  36.948  11.587  9.783924       15.02883 
1 1 1 -19 26  33 o 14.336  6.7525  -41.8989   60.701   24.428     84.279   -113.3933  87.500   20.116  8.8656  14.931  7.2970  5.185337       11.48241 
1 1 1 -19 26  34 o 21.242  9.3577  35.722     93.789   -65.7671   239.324  54.137     101.944  24.278  11.908  22.627  9.8669  1.651104       15.46432 
1 1 1 -19 26  35 o 19.275  8.9488  -13.1255   100.411  93.115     257.489  -32.1792   109.044  26.967  13.023  19.180  9.0388  7.787512       15.85221 
1 1 1 -19 26  36 o 29.734  10.967  172.821    104.387  -154.7683  275.481  227.745    112.799  23.195  11.609  33.485  11.498  -10.29015      16.33913 
1 1 1 -19 27  1  o 56.124  5.7203  403.698    76.811   344.709    134.919  431.985    93.429   47.979  11.696  57.442  6.8377  -9.463161      13.54767 
1 1 1 -19 27  2  o 56.321  5.0031  401.721    67.659   261.187    101.553  513.892    90.728   42.686  9.9830  63.204  5.9875  -20.51825      11.64092 
1 1 1 -19 27  3  o 64.685  4.4093  524.551    68.793   584.574    95.236   459.060    99.480   67.482  5.8749  59.014  7.0892  8.468117       9.207113 
1 1 1 -19 27  4  o 32.161  6.4915  137.532    48.911   127.137    66.025   150.175    72.814   30.220  8.5955  32.667  8.9304  -2.447611      12.39497 
1 1 1 -19 27  5  o 24.414  8.2236  77.856     57.682   74.802     64.667   89.749     127.602  24.381  8.6805  28.742  11.682  -4.360985      14.55437 
1 1 1 -19 27  6  o 74.591  6.0797  718.325    109.077  735.713    130.244  677.487    199.606  74.529  7.2958  66.034  12.920  8.494385       14.83801 
1 1 1 -19 27  7  o 43.209  7.6798  253.372    77.567   187.039    88.856   465.797    159.010  35.861  9.8909  55.001  12.231  -19.13968      15.72999 
1 1 1 -19 27  8  o 18.170  7.6159  16.192     56.519   6.2555     63.568   53.688     123.483  18.285  7.8827  26.331  11.158  -8.045256      13.66150 
1 1 1 -19 27  9  o 21.242  8.1550  48.055     59.017   63.899     66.812   -8.2023    125.896  23.314  8.7391  23.520  10.570  -0.2060032     13.71451 
1 1 1 -19 27  10 o 64.696  4.5812  528.333    71.450   584.581    99.351   468.076    102.830  67.034  6.1777  59.139  7.3226  7.894680       9.580449 
1 1 1 -19 27  11 o 47.503  5.8249  293.371    65.733   264.184    96.277   318.856    89.964   42.791  9.5184  48.242  7.9636  -5.450218      12.41044 
1 1 1 -19 27  12 o 37.374  7.1798  189.595    62.744   195.009    92.598   185.000    85.315   36.233  10.135  35.558  9.6444  0.6755905      13.99069 
1 1 1 -19 27  13 o 51.675  5.6549  346.034    69.747   416.360    99.547   278.222    97.751   55.396  7.6068  43.864  9.4624  11.53240       12.14086 
1 1 1 -19 27  14 o 71.806  6.1636  673.635    106.348  552.996    203.977  718.670    124.627  55.932  14.800  73.357  7.0901  -17.42496      16.41065 
1 1 1 -19 27  15 o 13.907  6.6311  -67.8570   62.085   171.472    132.145  -135.6512  70.331   33.216  12.322  12.787  6.3074  20.42922       13.84234 
1 1 1 -19 27  16 o 28.222  9.4651  114.337    76.411   -17.4208   160.836  152.744    86.837   25.064  11.525  31.911  10.048  -6.847015      15.29045 
1 1 1 -19 27  17 f 13.857  6.6189  -69.0521   62.439   85.854     135.959  -110.4554  70.290   27.852  11.750  13.478  6.5768  14.37414       13.46547 
1 1 1 -19 27  18 o 32.857  9.5511  162.767    80.695   51.455     161.260  199.951    93.204   27.190  12.108  35.963  10.207  -8.773043      15.83627 
1 1 1 -19 27  19 o 13.420  6.3180  -45.6781   53.034   -57.4094   71.397   -31.2376   79.214   15.480  7.3008  17.588  8.0877  -2.108563      10.89552 
1 1 1 -19 27  20 o 14.256  6.5774  -29.0350   53.007   -85.4032   73.981   30.429     75.985   14.672  7.0594  20.669  8.7554  -5.997355      11.24691 
1 1 1 -19 27  21 o 36.180  7.6699  187.546    65.241   101.688    88.881   287.851    96.068   26.500  10.047  43.521  9.3743  -17.02133      13.74132 
1 1 1 -19 27  22 o 13.162  6.2254  -47.0930   52.588   -92.4769   76.718   -6.8680    72.227   14.654  7.0845  17.813  8.0051  -3.158847      10.68982 
1 1 1 -19 27  23 o 49.491  6.3040  334.531    73.983   390.855    100.190  266.993    109.712  51.598  8.2828  39.573  11.019  12.02546       13.78492 
1 1 1 -19 27  24 o 14.330  6.6503  -30.2986   55.373   -5.2932    82.565   -50.7392   74.650   18.707  8.4686  15.815  7.4609  2.891911       11.28637 
1 1 1 -19 27  25 o 17.976  7.8290  14.147     64.006   -51.9769   97.629   63.992     84.764   17.981  8.4977  22.824  9.4262  -4.842823      12.69108 
1 1 1 -19 27  26 o 24.860  8.9420  95.273     68.789   35.902     98.650   151.462    95.970   21.706  9.5776  29.402  10.563  -7.696529      14.25889 
1 1 1 -19 27  27 o 25.256  8.8932  100.235    67.696   176.056    105.177  46.610     88.453   30.844  11.061  21.625  9.3106  9.218231       14.45788 
1 1 1 -19 27  28 o 25.379  10.413  101.066    102.596  112.872    109.013  9.5512     303.504  26.183  10.738  26.651  13.138  -0.4679890     16.96747 
1 1 1 -19 27  29 o 22.271  9.8951  43.094     107.088  32.905     115.740  103.701    282.278  22.220  10.046  27.753  13.460  -5.533092      16.79537 
1 1 1 -19 27  30 o 19.573  8.0028  42.266     60.328   -56.7151   86.650   135.382    84.043   16.579  7.8850  28.126  9.9084  -11.54685      12.66298 
1 1 1 -19 27  31 o 47.852  6.5989  323.489    74.580   308.572    105.214  338.553    105.731  42.513  10.307  45.171  9.9184  -2.657738      14.30381 
1 1 1 -19 27  32 o 19.809  8.1494  42.970     63.041   41.033     88.502   44.965     89.819   21.223  9.2246  21.522  9.3238  -0.2996445     13.11587 
1 1 1 -19 27  33 o 24.825  9.9128  97.490     90.112   -11.9452   259.678  112.472    96.082   25.338  12.423  25.933  10.273  -0.5944309     16.12034 
1 1 1 -19 27  34 o 21.854  9.4862  52.952     93.340   0.0000     0.0000   52.952     93.340   ?       ?       21.854  9.4862  0.000000       9.486208 
1 1 1 -19 27  35 o 20.777  9.0367  45.300     85.045   -28.9280   245.124  55.458     90.678   23.885  11.780  21.616  9.3663  2.268995       15.04997 
1 1 1 -19 28  1  o 18.593  6.8706  37.947     41.007   90.914     54.342   -32.1035   62.494   25.876  7.9167  15.799  7.2347  10.07768       10.72457 
1 1 1 -19 28  2  o 21.829  7.1351  61.686     43.503   29.192     57.577   104.911    66.408   19.410  7.8624  27.596  8.7980  -8.185890      11.79924 
1 1 1 -19 28  3  o 14.671  6.6447  -21.1742   50.904   -28.5539   56.993   7.9340     113.190  15.169  6.9325  23.295  10.270  -8.125408      12.39078 
1 1 1 -19 28  4  o 50.331  7.0071  337.029    83.252   313.952    96.267   405.485    165.802  47.486  8.6747  49.820  13.417  -2.334705      15.97666 
1 1 1 -19 28  5  o 48.084  7.1423  309.394    80.799   341.769    94.324   220.160    156.596  49.981  8.0512  37.028  13.466  12.95305       15.68972 
1 1 1 -19 28  6  o 33.135  8.4695  154.844    68.352   122.220    78.155   260.979    140.965  29.366  9.5619  40.135  12.821  -10.76869      15.99369 
1 1 1 -19 28  7  o 56.974  6.5330  427.254    88.681   396.004    103.320  514.691    172.826  53.679  8.1922  56.816  12.839  -3.137222      15.22982 
1 1 1 -19 28  8  o 79.632  4.2662  796.153    82.132   775.531    113.589  818.746    118.896  77.245  6.1102  79.274  6.2314  -2.028748      8.727313 
1 1 1 -19 28  9  f 39.894  6.5026  211.794    60.776   173.473    92.307   241.119    80.750   34.104  10.293  41.553  8.2995  -7.449047      13.22234 
1 1 1 -19 28  10 f 19.890  7.7055  40.495     53.045   39.726     80.795   41.078     70.323   22.242  9.1958  21.470  8.6918  0.7722893      12.65347 
1 1 1 -19 28  11 o 21.272  7.7922  54.236     52.567   -12.3405   86.264   93.560     66.298   19.585  8.7787  26.106  8.8163  -6.521460      12.44154 
1 1 1 -19 28  12 o 58.066  5.4954  435.845    76.506   468.187    108.510  403.876    107.884  58.431  7.8523  53.645  8.5772  4.785423       11.62871 
1 1 1 -19 28  13 o 40.037  8.2878  226.385    77.860   284.750    159.040  207.987    89.293   40.299  13.655  37.356  9.7480  2.942017       16.77709 
1 1 1 -19 28  14 o 44.298  8.5752  279.442    88.839   279.945    174.645  279.267    103.187  39.187  14.226  43.099  10.052  -3.912270      17.41880 
1 1 1 -19 28  15 o 39.471  9.0651  228.210    84.990   183.831    172.730  242.387    97.626   33.562  13.610  39.905  10.080  -6.342670      16.93609 
1 1 1 -19 28  16 o 18.031  8.0434  -7.1225    71.493   218.060    141.997  -83.5885   82.746   35.517  12.838  15.911  7.6055  19.60598       14.92143 
1 1 1 -19 28  17 o 38.829  7.2872  209.893    66.134   194.796    95.943   223.561    91.286   35.068  10.474  38.182  9.8030  -3.113785      14.34563 
1 1 1 -19 28  18 o 50.682  6.0712  343.199    73.174   350.549    104.835  336.216    102.185  48.498  9.2462  47.522  9.1944  0.9763794      13.03951 
1 1 1 -19 28  19 o 13.751  6.3706  -30.3541   50.485   7.6105     71.115   -68.9277   71.683   18.635  8.1804  14.930  7.1206  3.705291       10.84533 
1 1 1 -19 28  20 o 38.657  7.4634  213.147    67.470   218.526    95.275   207.736    95.559   36.653  10.291  35.592  10.407  1.060726       14.63593 
1 1 1 -19 28  21 o 29.959  7.8955  132.944    58.203   147.281    80.129   116.931    84.681   30.335  9.6635  27.355  9.9098  2.979710       13.84147 
1 1 1 -19 28  22 o 25.333  8.3377  96.221     59.364   145.397    82.487   43.386     85.501   29.837  9.8286  21.676  9.2385  8.160194       13.48896 
1 1 1 -19 28  23 o 26.969  8.5334  112.466    62.565   -24.7084   90.147   239.945    86.903   18.383  8.5150  38.810  9.3411  -20.42737      12.63966 
1 1 1 -19 28  24 o 14.244  6.6765  -37.1662   58.098   64.539     85.353   -124.9691  79.305   22.727  9.4285  13.751  6.7661  8.976672       11.60503 
1 1 1 -19 28  25 o 21.734  8.4749  64.243     64.490   88.512     95.848   44.167     87.174   24.495  10.059  21.379  9.2237  3.115461       13.64806 
1 1 1 -19 28  26 o 18.409  7.8444  26.637     61.621   -125.6285  97.823   126.804    79.342   15.545  7.6221  27.428  9.6301  -11.88247      12.28151 
1 1 1 -19 28  27 o 23.481  10.011  73.256     100.461  99.010     106.507  -134.4536  302.473  25.131  10.488  24.593  12.287  0.5374756      16.15436 
1 1 1 -19 28  28 o 26.798  10.951  126.347    112.902  100.284    121.091  299.737    312.325  25.392  10.912  30.761  14.723  -5.369703      18.32653 
1 1 1 -19 28  29 f 15.187  7.0360  -24.9495   61.594   -2.6506    94.073   -41.6819   81.490   19.293  8.8503  16.587  7.8159  2.706697       11.80745 
1 1 1 -19 28  30 o 40.017  8.0830  244.452    75.782   108.254    112.286  358.387    102.699  25.785  10.765  47.148  9.3075  -21.36341      14.23095 
1 1 1 -19 28  31 o 19.927  8.0341  47.733     59.816   27.071     84.988   68.016     84.204   20.110  8.8807  22.593  9.3682  -2.483696      12.90854 
1 1 1 -19 28  32 o 17.083  7.9379  -22.9446   79.273   -68.5820   248.763  -17.7862   83.634   23.966  11.829  17.702  8.2003  6.263872       14.39321 
1 1 1 -19 28  33 o 31.448  10.799  190.749    99.496   129.887    275.619  199.869    106.691  26.974  13.132  31.664  11.163  -4.689528      17.23536 
1 1 1 -19 28  34 o 22.377  9.4254  72.622     87.260   -83.4568   250.513  94.175     93.090   22.942  11.417  23.871  9.8700  -0.9288425     15.09196 
1 1 1 -19 29  1  o 24.655  8.2533  81.111     58.097   63.380     65.197   149.477    128.020  23.119  8.6394  32.141  12.087  -9.021923      14.85744 
1 1 1 -19 29  2  o 31.444  8.2054  138.843    63.267   145.464    71.609   115.286    135.067  31.902  8.9091  30.118  12.097  1.783680       15.02393 
1 1 1 -19 29  3  o 20.600  8.0194  43.194     57.670   34.800     65.063   73.962     124.561  20.532  8.3433  27.278  11.359  -6.745344      14.09402 
1 1 1 -19 29  4  o 40.771  7.9146  229.711    75.474   242.075    86.009   188.313    157.386  41.277  8.8530  34.726  13.321  6.551563       15.99433 
1 1 1 -19 29  5  o 27.390  8.6574  104.972    64.409   93.752     73.160   143.634    135.805  26.339  9.2474  31.701  12.316  -5.362602      15.40109 
1 1 1 -19 29  6  o 28.372  6.8410  109.826    46.546   132.361    65.087   86.236     66.592   30.521  8.4831  25.370  8.8273  5.151165       12.24269 
1 1 1 -19 29  7  o 44.766  6.1315  263.850    64.849   340.498    91.167   185.344    92.265   49.832  7.7954  35.139  10.212  14.69204       12.84764 
1 1 1 -19 29  8  f 31.303  7.5669  136.314    56.838   184.064    84.524   96.899     76.792   35.307  9.6093  26.651  9.4625  8.655413       13.48619 
1 1 1 -19 29  9  o 19.546  7.5499  39.705     50.808   -8.8224    80.880   71.339     65.301   19.152  8.5485  23.726  8.6858  -4.573570      12.18687 
1 1 1 -19 29  10 o 51.222  5.5676  341.016    68.084   400.265    99.452   288.755    93.403   53.900  7.8336  44.890  8.8897  9.009991       11.84871 
1 1 1 -19 29  11 o 56.139  5.2969  407.100    71.300   321.047    103.381  485.163    98.464   46.877  9.4160  60.137  6.8714  -13.25979      11.65662 
1 1 1 -19 29  12 o 39.130  8.4653  219.344    78.039   -90.7921   166.476  306.687    88.347   23.091  10.967  46.762  8.0785  -23.67135      13.62089 
1 1 1 -19 29  13 o 34.472  9.2880  177.281    79.437   210.129    155.279  165.638    92.451   34.902  13.269  32.720  10.375  2.182137       16.84355 
1 1 1 -19 29  14 o 25.704  9.2574  91.939     73.751   321.340    149.120  17.658     84.855   42.472  13.134  20.772  9.0307  21.69942       15.93949 
1 1 1 -19 29  15 f 17.835  7.8872  -0.9152    67.268   161.207    141.589  -48.1754   76.446   31.517  12.476  16.470  7.7001  15.04782       14.66079 
1 1 1 -19 29  16 o 18.894  7.7287  30.595     56.296   206.193    84.834   -107.5747  75.252   36.672  9.4686  14.080  6.8562  22.59145       11.69029 
1 1 1 -19 29  17 o 23.756  8.2287  79.339     57.836   31.059     86.417   118.511    77.840   21.375  9.2028  27.880  9.5522  -6.505299      13.26409 
1 1 1 -19 29  18 o 30.003  8.4202  135.283    63.801   70.698     96.885   184.736    84.779   24.310  10.062  34.060  9.7580  -9.750074      14.01632 
1 1 1 -19 29  19 o 51.059  6.1684  354.423    74.871   344.371    104.016  365.231    107.854  47.177  9.4165  48.528  9.4998  -1.350407      13.37598 
1 1 1 -19 29  20 o 40.703  7.0970  235.587    67.544   259.243    92.880   209.035    98.402   40.295  9.6307  34.914  10.648  5.381165       14.35706 
1 1 1 -19 29  21 o 13.175  6.2667  -50.9494   54.761   -20.2593   77.312   -81.8500   77.577   17.367  7.9874  14.914  7.1888  2.452827       10.74599 
1 1 1 -19 29  22 o 24.704  8.3850  93.221     59.974   109.069    85.763   78.055     83.900   26.060  9.8721  23.622  9.5180  2.438639       13.71318 
1 1 1 -19 29  23 o 21.242  8.2166  60.878     60.244   56.152     88.788   64.911     82.010   22.161  9.4289  22.445  9.2710  -0.2845974     13.22335 
1 1 1 -19 29  24 o 25.797  8.6398  106.199    63.665   39.059     87.934   180.166    92.297   20.979  9.1556  31.632  10.396  -10.65270      13.85253 
1 1 1 -19 29  25 f 18.645  8.6822  -19.3772   95.650   -38.5605   101.006  147.270    297.704  18.337  8.6591  28.014  13.640  -9.677103      16.15647 
1 1 1 -19 29  26 o 19.818  9.1645  -3.3646    103.785  -7.9999    112.134  24.332     274.100  20.161  9.3924  25.828  12.683  -5.666943      15.78211 
1 1 1 -19 29  27 o 29.488  11.056  167.311    106.959  183.271    113.721  44.952     314.885  30.358  11.397  26.559  13.145  3.798069       17.39794 
1 1 1 -19 29  28 o 13.200  6.3286  -57.9341   58.241   -118.6091  95.950   -22.5380   73.286   15.464  7.5751  16.537  7.6661  -1.073024      10.77733 
1 1 1 -19 29  29 o 19.122  8.0292  35.977     63.003   11.905     95.082   54.820     84.122   19.935  9.0497  21.638  9.1915  -1.702730      12.89887 
1 1 1 -19 29  30 o 28.371  10.441  147.146    94.537   223.930    241.294  133.222    102.752  29.400  13.724  27.105  10.660  2.295240       17.37751 
1 1 1 -19 29  31 o 37.333  11.015  264.552    106.616  449.139    274.683  231.811    115.686  33.882  15.381  33.569  11.637  0.3130341      19.28759 
1 1 1 -19 29  32 o 36.021  11.105  255.124    106.685  484.121    279.082  215.933    115.453  33.696  15.376  31.903  11.569  1.792364       19.24252 
1 1 1 -19 29  33 o 18.825  8.5455  14.575     84.777   285.642    244.139  -22.5933   90.403   28.911  13.594  17.610  8.2779  11.30107       15.91630 
1 1 1 -19 30  1  o 13.360  6.2126  -35.8691   48.708   -31.2776   53.822   -56.6461   114.491  14.445  6.6513  20.434  9.5098  -5.988909      11.60495 
1 1 1 -19 30  2  o 42.921  7.6821  253.388    77.066   266.739    88.220   210.376    158.342  43.380  8.6843  35.777  13.445  7.603535       16.00586 
1 1 1 -19 30  3  o 25.946  7.4647  93.045     49.520   96.451     70.797   89.783     69.290   26.461  9.1076  25.750  9.0017  0.7109146      12.80548 
1 1 1 -19 30  4  o 35.478  6.1636  167.506    51.133   81.203     68.477   276.279    76.877   24.846  8.9233  45.080  7.2760  -20.23405      11.51371 
1 1 1 -19 30  5  o 49.813  5.6653  323.129    67.257   206.206    92.870   452.087    97.532   37.010  10.072  57.974  7.0807  -20.96379      12.31217 
1 1 1 -19 30  6  o 36.990  6.8860  185.855    59.530   245.916    82.290   119.914    86.225   41.665  8.4293  28.840  10.044  12.82443       13.11238 
1 1 1 -19 30  7  o 30.045  7.5849  126.507    55.302   124.927    80.069   127.950    76.472   29.248  9.6859  29.582  9.4422  -0.3336639     13.52666 
1 1 1 -19 30  8  o 45.247  5.9703  270.085    63.946   239.706    94.012   296.241    87.234   40.023  9.7669  45.958  8.1196  -5.935089      12.70117 
1 1 1 -19 30  9  o 36.921  7.0974  187.350    61.273   246.533    91.825   139.846    82.267   40.769  9.4644  30.571  9.7971  10.19782       13.62201 
1 1 1 -19 30  10 o 45.129  8.0850  287.219    85.281   450.456    173.640  235.327    97.902   50.221  13.816  39.107  10.208  11.11402       17.17849 
1 1 1 -19 30  11 o 16.803  7.3843  -0.8004    58.089   -124.0862  132.967  28.279     64.578   19.595  9.4369  19.645  8.1797  -0.5024910E-01 12.48855 
1 1 1 -19 30  12 o 20.940  8.3980  44.593     64.980   53.935     151.747  42.496     71.907   26.593  11.799  21.305  8.7270  5.288542       14.67577 
1 1 1 -19 30  13 o 15.942  7.2966  -25.0634   63.459   108.719    136.706  -61.8087   71.646   28.384  11.867  15.277  7.2377  13.10649       13.89977 
1 1 1 -19 30  14 o 36.948  7.0539  190.624    60.932   118.959    89.051   253.711    83.552   27.993  10.159  41.544  8.5729  -13.55121      13.29284 
1 1 1 -19 30  15 o 48.141  7.7346  330.138    87.288   396.434    117.986  249.980    129.737  50.470  9.9882  37.097  12.331  13.37239       15.86906 
1 1 1 -19 30  16 o 17.873  7.4511  23.641     53.682   46.941     80.246   4.7677     72.222   21.804  9.1016  18.441  8.1630  3.362772       12.22595 
1 1 1 -19 30  17 o 31.294  8.1910  147.154    62.921   208.668    91.467   91.893     86.693   35.645  10.109  25.234  9.8299  10.41095       14.10062 
1 1 1 -19 30  18 o 18.203  7.5964  26.791     55.875   -30.1398   85.002   70.107     74.145   17.751  8.2386  22.961  9.0474  -5.210030      12.23643 
1 1 1 -19 30  19 o 27.345  8.8799  117.801    67.421   132.340    95.547   103.383    95.149   28.045  10.463  25.854  10.229  2.190756       14.63256 
1 1 1 -19 30  20 o 19.585  7.8990  43.188     57.843   -21.5253   81.078   110.266    82.547   17.561  8.1135  26.140  9.7304  -8.579405      12.66920 
1 1 1 -19 30  21 o 11.668  5.6749  -71.9795   51.135   -63.9822   75.737   -78.6791   69.320   15.183  7.2627  13.911  6.7277  1.271690       9.899979 
1 1 1 -19 30  22 f 20.832  7.9362  59.738     55.623   22.780     83.443   89.293     74.619   19.746  8.7558  23.978  9.1783  -4.232561      12.68485 
1 1 1 -19 30  23 o 18.534  7.5403  37.795     53.220   8.5084     84.603   56.972     68.462   18.996  8.5883  21.030  8.5534  -2.033663      12.12104 
1 1 1 -19 30  24 o 21.992  9.5832  54.417     96.019   46.109     99.585   164.220    362.037  21.709  9.5988  27.933  13.872  -6.223379      16.86890 
1 1 1 -19 30  25 o 31.601  11.483  203.716    113.831  132.579    121.811  693.924    319.764  26.698  11.185  38.097  17.002  -11.39938      20.35081 
1 1 1 -19 30  26 o 19.312  8.3261  32.460     70.934   242.498    119.969  -80.4365   87.955   34.098  11.849  15.714  7.5941  18.38396       14.07371 
1 1 1 -19 30  27 o 31.796  8.8375  166.377    70.638   155.268    103.208  176.167    96.887   28.575  10.828  30.566  10.647  -1.991533      15.18586 
1 1 1 -19 30  28 o 18.951  8.1287  30.971     66.959   191.603    104.898  -79.4850   86.986   31.309  11.065  15.663  7.5650  15.64638       13.40424 
1 1 1 -19 30  29 o 21.680  9.3172  56.035     88.271   284.884    251.282  23.820     94.279   30.271  14.088  20.252  9.1194  10.01886       16.78210 
1 1 1 -19 30  30 o 48.733  10.252  416.949    117.384  503.642    285.716  399.344    128.753  34.049  15.546  45.224  11.659  -11.17488      19.43194 
1 1 1 -19 30  31 o 25.760  10.372  124.612    99.550   367.480    249.054  78.431     108.603  31.141  14.328  23.096  10.125  8.045158       17.54379 
1 1 1 -19 30  32 o 35.443  11.114  260.447    106.355  637.174    265.280  188.298    116.093  36.815  15.986  28.878  11.339  7.937824       19.59962 
1 1 1 -19 31  1  o 11.345  5.4091  -48.2255   41.297   -47.3752   51.689   -49.7261   68.669   13.207  6.2238  15.595  7.2933  -2.388159      9.587924 
1 1 1 -19 31  2  o 51.361  6.0866  347.615    74.377   469.611    111.435  249.607    99.880   58.120  8.1239  40.612  10.161  17.50783       13.00927 
1 1 1 -19 31  3  o 42.342  6.4669  240.015    64.333   292.422    91.087   187.851    90.875   45.309  8.5999  35.136  10.113  10.17279       13.27539 
1 1 1 -19 31  4  o 22.054  7.9185  61.819     53.921   -18.5158   79.450   130.418    73.418   18.386  8.3167  29.816  9.2153  -11.43003      12.41326 
1 1 1 -19 31  5  o 20.485  7.8395  46.952     54.431   -10.4945   78.995   98.882     75.107   18.733  8.3985  26.555  9.3655  -7.821806      12.57968 
1 1 1 -19 31  6  o 40.731  6.6980  224.751    63.894   167.113    90.201   282.796    90.518   32.959  10.219  44.288  8.7337  -11.32889      13.44270 
1 1 1 -19 31  7  o 22.172  8.0415  62.831     55.785   97.452     81.138   31.794     76.823   26.446  9.6818  21.025  8.8492  5.420826       13.11662 
1 1 1 -19 31  8  o 36.705  9.0607  200.028    80.209   37.766     160.555  253.992    92.590   26.480  11.914  41.171  9.4664  -14.69062      15.21726 
1 1 1 -19 31  9  f 27.362  8.9764  109.558    68.829   -88.8859   150.891  161.697    77.344   21.778  10.371  32.705  9.3034  -10.92756      13.93236 
1 1 1 -19 31  10 o 43.982  8.1912  277.591    84.198   162.872    172.432  313.509    96.483   31.673  13.290  46.141  8.9407  -14.46803      16.01780 
1 1 1 -19 31  11 o 17.338  7.6929  -2.5478    64.510   262.283    151.816  -60.9016   71.264   37.285  13.298  15.231  7.2164  22.05413       15.12948 
1 1 1 -19 31  12 o 29.556  8.0312  128.255    59.098   165.810    93.732   103.474    76.138   31.957  10.475  26.445  9.4186  5.512173       14.08652 
1 1 1 -19 31  13 o 48.660  6.1781  320.574    71.301   370.583    107.124  280.797    95.538   49.403  9.2772  42.637  9.4801  6.765789       13.26415 
1 1 1 -19 31  14 o 13.696  6.3423  -28.5017   49.967   -8.4280    84.553   -39.2738   61.939   18.860  8.5508  14.834  6.9339  4.026067       11.00888 
1 1 1 -19 31  15 o 38.199  7.1893  208.359    64.190   135.746    95.243   268.792    86.889   28.687  10.492  41.999  8.8077  -13.31116      13.69854 
1 1 1 -19 31  16 o 71.582  5.2089  677.272    89.851   695.468    127.085  659.085    127.053  69.358  7.6804  67.133  7.9545  2.225044       11.05723 
1 1 1 -19 31  17 f 53.191  6.0716  387.949    76.959   412.940    108.242  362.401    109.441  51.679  8.9566  47.252  9.8641  4.427441       13.32367 
1 1 1 -19 31  18 o 57.540  5.7446  450.223    79.132   480.810    112.478  420.246    111.349  56.120  8.5285  51.534  9.2445  4.585812       12.57765 
1 1 1 -19 31  19 o 38.201  7.6363  218.142    68.308   155.458    100.912  271.155    92.801   29.151  10.777  40.495  9.5922  -11.34410      14.42741 
1 1 1 -19 31  20 o 35.188  8.0301  191.260    67.049   147.754    100.496  226.162    90.011   28.307  10.695  36.119  9.9520  -7.812370      14.60933 
1 1 1 -19 31  21 o 17.971  7.6808  25.494     59.399   -89.7868   89.706   115.499    79.264   15.610  7.5745  26.039  9.5639  -10.42963      12.20002 
1 1 1 -19 31  22 o 23.820  9.8390  88.449     92.367   82.873     95.425   171.278    367.779  23.520  9.8789  27.708  13.796  -4.187796      16.96824 
1 1 1 -19 31  23 o ?       ?       -263.3348  51.067   -252.4377  51.627   -757.6823  347.726  ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 31  24 o 17.161  8.1037  -37.0687   88.458   -37.9786   91.765   -25.1232   332.487  17.401  8.2284  25.290  12.672  -7.888910      15.10885 
1 1 1 -19 31  25 o 20.297  7.9768  55.861     57.494   87.049     90.901   35.066     74.227   23.632  9.7608  19.599  8.4832  4.032999       12.93208 
1 1 1 -19 31  26 o 38.288  7.8550  225.825    70.526   151.923    107.237  282.153    93.622   27.984  10.924  40.707  9.6293  -12.72281      14.56220 
1 1 1 -19 31  27 o 20.781  8.1448  60.090     59.796   -142.5600  103.201  162.507    73.366   15.399  7.6037  30.898  9.1431  -15.49882      11.89173 
1 1 1 -19 31  28 f 17.146  7.7471  2.0494     68.722   34.626     226.393  -1.2570    72.125   24.501  11.922  17.271  7.8564  7.230133       14.27794 
1 1 1 -19 31  29 o 19.894  8.4045  46.185     69.718   -283.7692  229.980  79.576     73.161   19.951  10.066  22.554  8.9553  -2.602894      13.47273 
1 1 1 -19 31  30 o 28.192  10.242  156.330    90.556   210.398    249.602  148.134    97.177   26.927  12.959  27.184  10.458  -0.2567253     16.65200 
1 1 1 -19 32  1  o 14.069  6.5431  -36.9541   54.050   -42.7287   86.033   -33.1887   69.471   17.912  8.3044  16.411  7.5566  1.500446       11.22789 
1 1 1 -19 32  2  o 96.131  4.8521  1181.70    112.812  1312.51    159.392  1050.41    159.689  99.120  6.6662  87.449  7.6015  11.67042       10.11039 
1 1 1 -19 32  3  o 57.861  5.3696  435.247    74.527   361.161    103.754  514.218    107.120  49.929  8.8902  61.226  7.3579  -11.29761      11.54014 
1 1 1 -19 32  4  o 30.372  8.2753  133.921    62.645   77.188     88.161   191.781    89.032   24.960  9.8558  35.249  9.9659  -10.28963      14.01623 
1 1 1 -19 32  5  o 73.310  4.9946  692.431    88.315   808.178    121.497  562.756    128.599  77.691  6.5049  62.527  8.7131  15.16488       10.87348 
1 1 1 -19 32  6  o 66.443  6.8833  600.077    109.362  796.323    197.002  512.662    131.481  69.660  12.094  58.621  9.5743  11.03904       15.42504 
1 1 1 -19 32  7  o 38.861  8.9077  224.693    82.198   177.802    153.821  243.434    97.247   32.262  12.927  39.421  10.116  -7.158451      16.41493 
1 1 1 -19 32  8  o 34.887  9.3183  186.400    80.372   -33.9358   160.834  259.736    92.789   23.676  11.101  41.267  9.4679  -17.59087      14.59003 
1 1 1 -19 32  9  o 42.865  8.3715  268.646    83.947   204.950    171.909  288.591    96.197   33.109  13.520  43.522  9.3854  -10.41274      16.45841 
1 1 1 -19 32  10 o 10.742  5.2244  -66.7636   43.336   -35.0178   80.821   -79.5738   51.340   17.343  8.0437  11.587  5.6469  5.755631       9.827906 
1 1 1 -19 32  11 o 32.427  8.0748  156.020    63.291   251.014    97.197   86.089     83.395   39.431  10.111  24.819  9.6486  14.61178       13.97593 
1 1 1 -19 32  12 o 42.437  6.7554  251.472    67.228   382.660    98.359   136.449    92.100   51.008  8.2270  28.862  10.350  22.14625       13.22176 
1 1 1 -19 32  13 o 22.817  8.0630  74.372     55.694   37.187     87.396   99.797     72.268   21.373  9.2282  25.572  9.1688  -4.198755      13.00873 
1 1 1 -19 32  14 o 64.374  5.2505  550.048    81.297   588.966    117.644  514.478    112.471  63.524  7.7962  59.012  8.0660  4.511654       11.21788 
1 1 1 -19 32  15 o 34.263  7.6949  175.175    62.408   205.212    93.146   150.708    84.068   34.425  10.329  29.819  9.9271  4.605789       14.32577 
1 1 1 -19 32  16 o ?       ?       -453.7285  64.017   -463.0446  67.501   -370.4041  201.874  ?       ?       18.684  9.4269  0.000000       9.426921 
1 1 1 -19 32  17 f 29.414  11.247  165.624    111.969  167.917    148.132  162.567    171.018  28.797  12.213  28.399  12.567  0.3981056      17.52375 
1 1 1 -19 32  18 o 20.517  8.0649  56.038     58.781   34.964     96.440   68.494     74.146   21.056  9.3710  22.145  8.9390  -1.089029      12.95071 
1 1 1 -19 32  19 f 21.001  7.9907  62.983     56.345   -4.6898    95.329   99.318     69.853   19.038  8.7967  24.635  8.9887  -5.596672      12.57690 
1 1 1 -19 32  20 o 13.381  6.2726  -31.3116   51.313   -47.4363   78.555   -19.3114   67.768   15.849  7.5290  15.970  7.3922  -0.1207418     10.55135 
1 1 1 -19 32  21 o 17.747  8.2051  -10.3518   83.127   -8.2133    85.388   -49.1304   363.612  18.020  8.3259  25.143  12.682  -7.123352      15.17038 
1 1 1 -19 32  22 o 41.264  11.627  340.636    121.405  260.871    128.876  969.352    361.820  33.945  12.236  40.075  17.970  -6.129772      21.74035 
1 1 1 -19 32  23 o 16.079  7.7547  -71.5198   90.579   -104.2560  94.025   350.700    337.674  15.444  7.5513  29.352  14.343  -13.90794      16.20918 
1 1 1 -19 32  24 o 12.236  5.9158  -62.8049   53.512   21.650     77.990   -137.9377  73.559   18.943  8.4293  12.502  6.2159  6.441748       10.47330 
1 1 1 -19 32  25 o 17.506  8.0968  -12.0198   81.065   -96.5670   115.531  69.978     113.776  17.392  8.4748  23.053  10.223  -5.660221      13.27900 
1 1 1 -19 32  26 o 35.639  10.111  231.181    91.475   431.136    261.218  203.233    97.659   32.878  14.954  32.290  10.697  0.5875244      18.38610 
1 1 1 -19 32  27 o 15.779  7.3235  -19.4863   67.177   -411.0968  218.546  21.375     70.594   18.255  9.2710  18.302  8.0876  -0.4738617E-01 12.30293 
1 1 1 -19 32  28 o 26.824  9.9427  136.644    86.007   290.583    262.534  118.136    91.031   28.425  13.576  25.205  9.9951  3.220436       16.85860 
1 1 1 -19 32  29 f 25.432  9.8382  124.221    86.376   338.080    263.064  98.378     91.446   28.538  13.619  23.488  9.7528  5.049967       16.75073 
1 1 1 -19 33  1  o 44.101  6.6988  264.984    69.428   286.082    102.479  247.085    94.390   43.110  9.9920  40.146  9.7801  2.964169       13.98177 
1 1 1 -19 33  2  o 20.540  8.1062  45.427     59.609   16.140     90.499   67.870     79.222   21.021  9.2279  23.659  9.3426  -2.638050      13.13164 
1 1 1 -19 33  3  o 56.069  6.9976  431.440    93.127   435.837    177.395  429.767    109.417  47.495  14.255  54.484  8.5587  -6.989380      16.62659 
1 1 1 -19 33  4  o 33.452  9.1958  170.720    76.955   25.835     143.517  229.187    91.169   24.753  11.189  38.416  9.7609  -13.66322      14.84820 
1 1 1 -19 33  5  o 17.013  7.5545  -2.9914    62.327   -138.2649  125.848  40.972     71.744   18.348  8.9190  20.968  8.6669  -2.619188      12.43634 
1 1 1 -19 33  6  o 32.690  9.5163  167.163    80.056   413.010    159.646  84.573     92.532   46.901  13.375  25.196  10.050  21.70451       16.72994 
1 1 1 -19 33  7  o 19.439  8.3373  22.693     70.426   419.725    148.742  -92.0311   79.956   48.366  12.562  15.046  7.2637  33.31960       14.51089 
1 1 1 -19 33  8  o 36.007  7.5659  187.310    64.000   143.886    93.043   226.309    88.174   29.643  10.427  37.859  9.5883  -8.215490      14.16561 
1 1 1 -19 33  9  o 17.944  7.5577  22.508     56.098   23.956     87.778   21.508     72.937   20.755  9.1001  19.435  8.4107  1.319946       12.39163 
1 1 1 -19 33  10 o 16.210  7.0687  6.1933     52.321   -1.6253    85.890   10.806     65.974   19.160  8.6588  18.027  7.8971  1.133110       11.71922 
1 1 1 -19 33  11 o 17.244  7.3615  17.318     54.451   188.747    84.471   -104.5595  71.224   33.822  9.7548  13.426  6.5660  20.39682       11.75882 
1 1 1 -19 33  12 o 56.152  5.6213  425.597    75.560   540.854    111.249  326.899    102.948  60.807  7.7135  44.895  9.7313  15.91241       12.41760 
1 1 1 -19 33  13 o 33.203  7.8615  167.008    62.355   180.188    94.385   156.801    83.063   31.807  10.515  30.320  9.8569  1.486382       14.41286 
1 1 1 -19 33  14 o 19.971  7.8600  50.168     55.900   178.470    87.403   -38.6408   72.718   31.915  10.085  15.837  7.4378  16.07825       12.53085 
1 1 1 -19 33  15 o 34.345  7.6525  178.850    62.140   115.834    93.043   229.591    83.490   26.044  10.173  37.284  9.2687  -11.23974      13.76220 
1 1 1 -19 33  16 o 26.157  8.7549  112.419    65.373   72.852     92.825   151.355    92.082   22.923  9.6918  28.670  10.342  -5.747400      14.17333 
1 1 1 -19 33  17 o 19.368  8.1961  38.964     66.480   56.106     92.192   20.395     95.953   21.746  9.4336  20.099  9.1111  1.647840       13.11506 
1 1 1 -19 33  18 o 15.545  7.1187  -11.6189   60.512   -51.1693   86.608   26.103     84.582   16.409  7.8261  19.603  8.7465  -3.194681      11.73666 
1 1 1 -19 33  19 o 29.845  10.886  180.359    102.443  178.295    112.540  190.336    247.460  29.110  11.239  27.275  13.068  1.835470       17.23602 
1 1 1 -19 33  20 o 24.466  9.7999  104.207    88.370   128.131    90.965   -297.2743  372.634  26.215  10.109  ?       ?       0.000000       10.10877 
1 1 1 -19 33  21 o 33.505  11.530  239.995    113.470  223.969    118.580  413.982    390.726  31.804  11.695  28.926  14.373  2.877756       18.52988 
1 1 1 -19 33  22 o 11.714  5.6662  -59.3015   49.237   -105.2657  83.318   -34.6357   61.034   14.337  7.0304  14.379  6.7722  -0.4255772E-01 9.761571 
1 1 1 -19 33  23 o 32.625  8.5634  176.136    68.647   84.290     96.261   271.179    97.922   23.226  9.8476  38.409  10.297  -15.18214      14.24780 
1 1 1 -19 33  24 o 38.395  7.6590  227.917    68.851   209.412    96.013   247.506    98.787   32.806  10.592  36.006  10.597  -3.200329      14.98238 
1 1 1 -19 33  25 o 23.623  9.2665  93.691     77.453   56.073     226.036  98.695     82.444   24.359  11.866  24.001  9.5139  0.3575535      15.20901 
1 1 1 -19 33  26 f 25.329  9.3246  114.895    75.411   -228.9522  248.272  149.842    79.150   20.776  10.479  28.417  9.6328  -7.640697      14.23354 
1 1 1 -19 33  27 o 15.941  7.4608  -21.6290   72.091   363.793    231.559  -62.9962   75.862   30.273  13.886  14.698  7.0908  15.57408       15.59176 
1 1 1 -19 33  28 o 16.603  7.7172  -8.8895    75.016   46.670     249.528  -14.4097   78.654   23.175  11.510  16.648  7.7921  6.527266       13.89973 
1 1 1 -19 34  1  o 32.508  9.6162  165.761    81.166   151.875    148.776  171.645    96.849   30.370  12.510  32.325  10.650  -1.955069      16.42907 
1 1 1 -19 34  2  o 41.284  9.0546  258.117    88.206   255.964    159.654  259.063    105.823  35.958  13.503  39.637  10.737  -3.679707      17.25168 
1 1 1 -19 34  3  o 33.868  9.6605  181.857    83.278   321.349    154.322  124.545    98.917   40.364  13.451  28.151  10.617  12.21229       17.13603 
1 1 1 -19 34  4  o 19.735  8.2506  32.872     66.083   -20.0456   131.415  50.782     76.452   21.965  10.211  21.810  8.9738  0.1547432      13.59385 
1 1 1 -19 34  5  o 28.052  9.3824  123.359    75.079   66.439     151.832  141.782    86.379   25.985  11.647  29.528  10.063  -3.543180      15.39207 
1 1 1 -19 34  6  o 34.102  7.6822  170.625    62.040   147.730    86.462   194.925    89.073   29.943  10.068  34.363  10.048  -4.420095      14.22424 
1 1 1 -19 34  7  o 14.517  6.5609  -12.2129   49.321   -31.7069   72.997   4.1611     66.901   16.424  7.6270  17.680  7.8398  -1.255468      10.93774 
1 1 1 -19 34  8  o 42.507  6.8268  255.522    68.028   250.861    95.063   260.415    97.392   38.922  10.010  39.578  10.106  -0.6565361     14.22417 
1 1 1 -19 34  9  o 49.762  6.2029  342.112    73.270   365.859    106.453  320.736    101.000  47.857  9.5026  44.573  9.6208  3.284370       13.52251 
1 1 1 -19 34  10 o 30.957  8.3794  149.865    64.481   228.134    97.441   88.891     86.005   36.018  10.503  24.367  9.6987  11.65075       14.29596 
1 1 1 -19 34  11 o 29.405  8.1776  135.108    60.465   47.495     95.767   193.186    77.972   21.917  9.5601  34.337  9.1810  -12.42008      13.25466 
1 1 1 -19 34  12 o 14.284  6.5164  -14.3074   50.081   -96.1694   87.901   25.037     60.939   15.325  7.4503  18.157  7.7705  -2.832395      10.76512 
1 1 1 -19 34  13 o 36.333  7.7478  201.548    66.218   334.939    97.757   88.452     90.014   45.306  9.2065  23.918  9.7769  21.38809       13.42938 
1 1 1 -19 34  14 f 27.517  8.7660  126.141    65.937   162.325    91.799   87.577     94.769   29.450  10.358  23.753  9.9011  5.696667       14.32867 
1 1 1 -19 34  15 o 31.823  8.5396  166.413    67.312   101.862    92.219   240.022    98.477   24.486  9.9392  35.634  10.604  -11.14858      14.53373 
1 1 1 -19 34  16 o 15.982  7.2181  -1.3116    59.575   -113.0636  83.272   115.858    85.267   14.137  6.9516  25.423  9.7915  -11.28597      12.00828 
1 1 1 -19 34  17 o 25.334  8.8674  110.087    67.247   233.689    95.286   -12.5583   94.917   35.008  10.434  18.346  8.5781  16.66188       13.50727 
1 1 1 -19 34  18 o 20.504  9.3098  32.636     100.694  -34.4037   110.845  349.196    240.867  18.561  8.8528  30.480  14.048  -11.91940      16.60481 
1 1 1 -19 34  19 o 37.360  11.349  287.931    111.955  222.675    123.785  581.229    262.428  30.955  11.828  35.928  15.744  -4.973072      19.69224 
1 1 1 -19 34  20 o 17.983  8.2712  0.6130     82.923   7.4677     85.030   -132.5561  374.784  18.446  8.4441  23.813  12.098  -5.366568      14.75356 
1 1 1 -19 34  21 o 24.330  8.6780  100.160    64.658   117.879    90.478   81.666     92.435   25.233  9.9779  22.788  9.6550  2.445267       13.88443 
1 1 1 -19 34  22 o 31.703  8.6436  169.345    68.319   186.543    100.483  154.561    93.166   30.143  10.811  28.023  10.356  2.120613       14.97074 
1 1 1 -19 34  23 o 43.661  7.2865  289.746    74.473   286.010    103.991  293.680    106.702  38.434  10.737  38.702  10.899  -0.2683983     15.29935 
1 1 1 -19 34  24 o 12.910  6.3157  -86.4210   66.036   87.342     212.813  -104.9348  69.465   24.377  11.789  12.760  6.2892  11.61660       13.36144 
1 1 1 -19 34  25 o 21.545  9.0261  70.933     79.327   358.073    234.978  33.998     84.274   29.889  13.811  19.503  8.7141  10.38620       16.32990 
1 1 1 -19 34  26 o 15.223  7.1543  -24.9357   67.467   93.305     244.354  -34.6934   70.195   23.838  11.758  15.073  7.1478  8.764974       13.76009 
1 1 1 -19 34  27 o 21.651  8.9185  80.777     75.620   -74.7221   255.108  95.756     79.178   21.305  10.730  22.740  9.2170  -1.434877      14.14532 
1 1 1 -19 35  1  o 15.572  7.2280  -32.5010   65.450   91.293     120.403  -84.4237   77.977   26.045  11.026  14.976  7.2160  11.06822       13.17759 
1 1 1 -19 35  2  o 17.313  7.8116  -7.6504    69.578   86.607     135.691  -41.2752   81.044   26.116  11.386  16.911  7.9132  9.204998       13.86568 
1 1 1 -19 35  3  f 19.364  8.3761  23.049     72.265   52.595     140.091  12.337     84.354   24.678  11.114  19.719  8.7707  4.959297       14.15789 
1 1 1 -19 35  4  o 25.845  8.5016  102.409    61.724   -20.5473   86.230   231.607    88.392   18.206  8.3960  37.789  9.6163  -19.58286      12.76583 
1 1 1 -19 35  5  o 30.120  8.1190  138.845    60.684   101.867    87.952   172.443    83.836   25.583  9.9189  32.064  9.8371  -6.481546      13.96973 
1 1 1 -19 35  6  o 28.583  8.4198  127.882    62.341   241.199    90.364   24.967     86.116   38.193  9.7250  20.302  8.9538  17.89153       13.21916 
1 1 1 -19 35  7  o 30.624  8.3306  146.778    63.545   202.206    91.063   94.169     88.716   34.066  10.210  24.743  9.8498  9.322987       14.18701 
1 1 1 -19 35  8  o 14.404  6.6424  -21.7249   53.963   113.081    81.601   -126.4998  71.939   26.101  9.6826  12.757  6.3083  13.34437       11.55630 
1 1 1 -19 35  9  f 21.742  7.9097  69.122     54.031   41.346     84.346   88.453     70.363   20.819  9.0273  23.827  8.9610  -3.007517      12.71974 
1 1 1 -19 35  10 o 13.746  6.4165  -29.2210   52.741   51.930     81.024   -88.8874   69.476   21.185  9.0103  13.476  6.5674  7.709138       11.14973 
1 1 1 -19 35  11 o 49.259  6.2944  344.348    73.512   417.392    105.226  274.712    102.741  51.017  8.8195  38.621  10.629  12.39588       13.81143 
1 1 1 -19 35  12 o 19.318  8.1798  39.476     66.276   -57.4456   88.713   161.898    99.703   16.388  7.8447  28.746  10.695  -12.35789      13.26372 
1 1 1 -19 35  13 o 15.643  7.1814  -11.9550   62.113   39.817     90.858   -57.3799   85.107   20.549  9.1231  15.986  7.6606  4.562840       11.91281 
1 1 1 -19 35  14 o 30.219  8.8641  157.025    69.224   146.355    99.206   167.150    96.638   27.137  10.531  28.870  10.567  -1.732706      14.91826 
1 1 1 -19 35  15 o 39.073  7.8740  241.303    72.071   226.840    98.805   257.748    105.359  33.637  10.732  35.559  11.047  -1.921303      15.40225 
1 1 1 -19 35  16 o 24.059  10.037  104.367    97.511   113.389    106.327  56.633     244.575  24.566  10.379  24.107  11.866  0.4586639      15.76464 
1 1 1 -19 35  17 o 37.716  11.306  295.859    111.643  289.671    123.246  324.155    263.567  35.497  12.020  28.617  13.650  6.879377       18.18809 
1 1 1 -19 35  18 o 20.087  9.1450  30.702     97.986   82.199     109.158  -182.9532  222.340  22.843  10.077  20.344  10.216  2.498991       14.35022 
1 1 1 -19 35  19 o 31.261  9.0405  172.353    72.465   189.627    103.807  155.934    101.205  29.739  10.941  27.376  10.633  2.363384       15.25689 
1 1 1 -19 35  20 o 19.239  8.0229  45.654     62.261   115.474    81.753   -50.7614   96.070   25.061  9.6037  16.918  8.1155  8.143391       12.57347 
1 1 1 -19 35  21 o 33.226  8.6373  187.008    70.278   184.265    93.087   190.643    107.172  30.247  10.442  29.611  11.074  0.6368866      15.22062 
1 1 1 -19 35  22 o 29.420  10.622  180.137    97.163   30.202     193.180  230.911    112.418  22.788  11.071  32.073  11.442  -9.284983      15.92137 
1 1 1 -19 35  23 o 17.926  8.2938  1.3557     85.155   320.224    184.119  -85.4123   96.045   30.958  13.380  15.766  7.6921  15.19151       15.43382 
1 1 1 -19 35  24 o 26.091  10.366  144.559    98.072   84.871     222.503  158.951    109.257  23.525  11.527  26.558  10.804  -3.032473      15.79842 
1 1 1 -19 35  25 o 17.019  7.8147  5.7765     73.592   120.973    227.263  -7.7179    77.783   23.611  11.585  16.698  7.7934  6.913321       13.96237 
1 1 1 -19 36  1  o 45.205  6.8528  290.302    72.808   221.855    109.020  345.410    97.821   34.610  11.294  47.191  8.8687  -12.58107      14.36027 
1 1 1 -19 36  2  o 17.501  7.5661  16.301     58.902   -62.1037   88.503   78.645     78.918   16.633  7.9270  23.455  9.3048  -6.822042      12.22365 
1 1 1 -19 36  3  o 33.966  7.9070  175.423    63.948   124.999    86.776   235.349    94.600   27.175  10.003  36.907  10.216  -9.732042      14.29787 
1 1 1 -19 36  4  o 32.460  8.3667  165.588    66.314   138.779    92.148   194.385    95.505   28.064  10.311  32.752  10.562  -4.688551      14.76089 
1 1 1 -19 36  5  o 12.651  6.0382  -49.6712   51.746   -35.9330   74.782   -62.2918   71.676   16.116  7.5606  14.718  7.0470  1.397760       10.33550 
1 1 1 -19 36  6  o 15.764  6.9548  4.9235     51.993   12.459     78.328   -1.0119    69.517   18.715  8.3787  17.225  7.7867  1.489557       11.43830 
1 1 1 -19 36  7  o 15.847  7.0363  3.4312     54.058   80.107     77.487   -69.2694   75.452   23.012  9.1911  14.792  7.1203  8.219369       11.62647 
1 1 1 -19 36  8  o 20.057  7.8307  54.536     55.110   14.551     80.261   90.203     75.804   18.793  8.4427  23.683  9.2012  -4.889740      12.48765 
1 1 1 -19 36  9  o 25.770  8.4576  109.586    61.101   49.205     89.214   162.931    83.854   21.090  9.2125  29.787  9.9144  -8.697340      13.53389 
1 1 1 -19 36  10 o 20.890  8.5776  60.042     69.671   40.522     93.654   84.231     104.256  20.688  9.2190  23.315  10.073  -2.626661      13.65474 
1 1 1 -19 36  11 o 34.089  9.0316  199.908    75.899   214.161    102.541  182.638    112.875  32.230  10.964  29.001  11.239  3.228703       15.70094 
1 1 1 -19 36  12 o 23.615  8.9417  95.353     70.338   108.382    93.136   78.058     107.309  24.368  9.9512  22.703  10.005  1.665018       14.11118 
1 1 1 -19 36  13 o 28.773  9.1305  149.013    71.587   120.619    95.442   185.532    108.240  25.030  10.128  29.047  11.070  -4.016678      15.00406 
1 1 1 -19 36  14 o 23.427  9.8895  97.586     96.412   131.522    107.323  -44.3098   219.455  25.370  10.553  21.922  10.872  3.448677       15.15100 
1 1 1 -19 36  15 o 16.603  7.8847  -33.5922   86.031   3.1496     92.656   -263.3440  231.697  18.487  8.5876  19.573  9.8987  -1.085979      13.10461 
1 1 1 -19 36  16 o 26.358  10.707  149.211    107.105  126.768    118.306  251.184    252.173  24.830  10.729  26.836  12.942  -2.005873      16.81035 
1 1 1 -19 36  17 o 15.182  7.0531  -16.9476   62.531   -40.6277   89.542   5.5938     87.363   16.614  7.9333  18.253  8.4292  -1.638294      11.57539 
1 1 1 -19 36  18 f 23.168  8.6274  91.799     64.904   99.137     89.930   83.821     93.768   23.478  9.7039  22.533  9.6410  0.9451447      13.67897 
1 1 1 -19 36  19 o 42.822  7.6112  287.826    76.186   250.346    104.780  329.866    110.973  34.399  11.060  40.497  11.006  -6.097618      15.60311 
1 1 1 -19 36  20 o 51.121  6.8998  393.837    83.398   344.320    112.443  454.386    124.338  41.398  11.005  48.484  10.841  -7.085407      15.44791 
1 1 1 -19 36  21 o 25.243  10.052  127.726    92.433   110.653    187.230  133.228    106.289  24.027  11.473  25.221  10.497  -1.193800      15.55028 
1 1 1 -19 36  22 o 20.947  9.1819  63.247     89.307   165.482    194.887  36.072     100.477  24.994  11.869  19.983  9.1593  5.010483       14.99224 
1 1 1 -19 36  23 o 17.918  8.2865  10.136     84.871   -129.5731  194.339  43.062     94.344   19.330  9.6856  19.840  9.0097  -0.5102348     13.22819 
1 1 1 -19 36  24 o 15.606  7.4915  -39.5101   82.195   57.787     189.921  -61.9343   91.176   21.718  10.643  15.581  7.5778  6.137444       13.06503 
1 1 1 -19 37  1  o 27.740  8.6661  125.233    64.731   60.563     98.060   175.178    86.175   22.525  9.7501  31.416  10.023  -8.891468      13.98292 
1 1 1 -19 37  2  o 44.879  7.1105  295.389    74.848   344.549    110.641  253.907    101.634  44.165  10.482  37.145  10.696  7.019791       14.97599 
1 1 1 -19 37  3  o 17.696  7.5062  26.254     55.972   37.549     75.928   12.811     82.833   19.921  8.6014  18.968  8.5438  0.9535236      12.12352 
1 1 1 -19 37  4  o 38.752  7.4663  227.103    67.657   332.551    92.272   104.489    99.500   45.587  8.6585  24.820  10.228  20.76691       13.40063 
1 1 1 -19 37  5  o 28.341  8.5005  132.859    63.100   147.849    89.051   117.742    89.423   28.117  10.166  25.659  9.9868  2.457191       14.25062 
1 1 1 -19 37  6  f 28.093  8.7854  134.251    66.507   257.897    93.667   8.5342     94.448   37.793  10.043  19.273  8.8508  18.51980       13.38651 
1 1 1 -19 37  7  o 27.865  8.5505  131.056    63.337   34.469     89.763   226.824    89.382   20.123  8.9920  35.115  10.006  -14.99196      13.45239 
1 1 1 -19 37  8  o 12.077  5.9295  -88.8814   59.824   -135.4586  74.559   -4.6949    100.239  12.566  6.2494  18.869  8.8205  -6.303398      10.81002 
1 1 1 -19 37  9  o 20.196  8.9577  42.571     87.392   43.325     163.133  42.268     103.495  22.567  10.757  20.833  9.4513  1.734299       14.31928 
1 1 1 -19 37  10 o 13.109  6.3706  -71.7308   64.120   -24.8716   85.812   -130.9682  96.482   16.937  7.9929  14.708  7.2788  2.229126       10.81050 
1 1 1 -19 37  11 f 23.770  9.1062  101.142    73.489   107.624    99.858   93.483     108.544  23.889  10.074  23.117  10.128  0.7715397      14.28483 
1 1 1 -19 37  12 o 18.756  8.6819  11.184     93.473   38.324     102.087  -129.5835  232.496  20.300  9.2776  20.836  10.462  -0.5362816     13.98276 
1 1 1 -19 37  13 o 13.723  6.7992  -125.2082  85.064   -180.1985  93.661   133.768    203.256  13.358  6.6976  24.468  11.755  -11.10993      13.52907 
1 1 1 -19 37  14 f 47.126  11.390  456.912    128.801  379.775    145.533  735.705    276.675  37.689  13.053  36.638  16.108  1.051361       20.73282 
1 1 1 -19 37  15 o 22.113  9.7558  78.922     102.312  77.423     112.358  86.197     247.533  22.188  9.9766  23.701  11.717  -1.512995      15.38878 
1 1 1 -19 37  16 o 19.957  8.1971  57.560     63.652   36.147     88.696   80.299     91.400   19.602  8.8343  22.068  9.4822  -2.465797      12.95981 
1 1 1 -19 37  17 o 43.562  7.5569  299.295    76.979   314.361    106.563  282.854    111.323  39.456  10.811  35.820  11.388  3.636658       15.70227 
1 1 1 -19 37  18 o 26.331  8.8712  125.900    67.125   144.307    93.623   106.429    96.292   26.328  10.227  23.663  9.9305  2.665298       14.25472 
1 1 1 -19 37  19 o 21.160  9.2175  66.858     88.765   53.954     189.408  70.489     100.483  22.554  10.958  21.591  9.5896  0.9623089      14.56172 
1 1 1 -19 37  20 o 15.815  7.5314  -34.3184   79.570   -161.1909  165.706  3.7034     90.713   18.007  9.0108  18.073  8.4290  -0.6661034E-01 12.33870 
1 1 1 -19 37  21 o 11.423  5.7421  -159.7684  71.230   -252.0990  167.059  -139.2532  78.747   16.711  8.4471  12.638  6.3073  4.072774       10.54213 
1 1 1 -19 37  22 o 25.821  10.188  152.230    94.140   353.045    194.066  90.433     107.655  28.865  13.033  21.875  9.8059  6.990379       16.30973 
1 1 1 -19 38  1  o 14.808  6.8203  -16.4039   56.639   -98.4215   88.778   39.894     73.552   15.093  7.3706  19.708  8.4877  -4.615500      11.24125 
1 1 1 -19 38  2  o 28.201  8.6609  134.559    64.966   118.836    98.275   146.764    86.584   25.377  10.275  27.907  10.033  -2.530033      14.36045 
1 1 1 -19 38  3  o 38.853  7.6279  234.207    69.344   240.893    95.379   226.709    100.997  35.600  10.394  33.559  10.866  2.040852       15.03671 
1 1 1 -19 38  4  o 67.634  5.4279  632.862    88.326   572.086    120.219  704.151    130.202  59.219  8.6195  66.367  8.2644  -7.148220      11.94138 
1 1 1 -19 38  5  o 21.365  8.1756  71.318     59.195   52.018     82.008   92.313     85.531   20.517  8.8988  23.214  9.5145  -2.696814      13.02747 
1 1 1 -19 38  6  o 25.980  8.8860  120.316    67.360   80.663     99.310   154.104    91.672   22.478  9.7709  27.564  10.255  -5.085835      14.16484 
1 1 1 -19 38  7  o 27.605  9.0792  139.256    70.398   106.346    100.358  171.137    98.777   23.789  10.069  28.255  10.619  -4.465721      14.63367 
1 1 1 -19 38  8  o 19.053  8.6986  23.571     89.443   31.363     161.927  20.150     107.297  21.745  10.458  19.741  9.1937  2.003233       13.92461 
1 1 1 -19 38  9  o 20.735  8.5046  66.641     68.399   90.005     89.642   34.083     105.820  22.569  9.5322  20.132  9.2901  2.437014       13.31047 
1 1 1 -19 38  10 o 19.827  9.1188  33.094     100.767  103.895    111.538  -281.2895  235.037  23.250  10.225  19.107  9.6947  4.142906       14.09002 
1 1 1 -19 38  11 o 32.940  11.675  263.913    116.854  304.017    130.978  107.461    258.698  34.000  12.323  23.695  11.760  10.30569       17.03409 
1 1 1 -19 38  12 o 17.796  8.3968  -9.4304    94.612   -50.9385   103.164  210.246    237.329  16.986  8.2129  25.281  12.279  -8.294340      14.77272 
1 1 1 -19 38  13 o 24.147  10.145  120.422    100.660  81.574     112.336  278.698    226.746  22.113  9.9562  26.817  12.755  -4.703699      16.18040 
1 1 1 -19 38  14 o 25.984  9.3847  131.379    75.863   163.658    103.172  93.385     111.935  26.863  10.645  22.660  10.090  4.202576       14.66658 
1 1 1 -19 38  15 o 29.656  9.5047  169.782    77.428   176.559    103.725  161.252    116.359  27.799  10.774  26.148  10.941  1.651527       15.35519 
1 1 1 -19 38  16 o 22.198  8.8319  86.029     71.293   63.764     93.522   116.916    110.155  20.987  9.2897  23.860  10.331  -2.872757      13.89349 
1 1 1 -19 38  17 o 20.232  9.1440  48.566     95.806   -7.9373    190.315  67.745     110.880  21.159  10.425  21.458  9.7533  -0.2991562     14.27610 
1 1 1 -19 38  18 o 24.023  9.8499  118.391    91.711   57.203     192.907  136.259    104.245  22.180  10.839  24.791  10.363  -2.610620      14.99597 
1 1 1 -19 38  19 o 16.419  7.7693  -18.4220   82.084   -70.1182   180.727  -4.9859    92.136   19.539  9.7194  17.569  8.2883  1.970446       12.77352 
1 1 1 -19 38  20 o 20.279  9.0091  63.956     88.744   -210.9855  192.639  138.021    99.985   17.839  9.0218  24.418  10.173  -6.578983      13.59749 
1 1 1 -19 38  21 o 18.209  8.3868  29.053     85.658   -181.7794  179.330  91.375     97.500   17.441  8.8099  21.428  9.4849  -3.986641      12.94522 
1 1 1 -19 39  1  o 30.170  8.6378  157.007    66.453   207.698    100.609  117.778    88.506   31.337  10.853  24.913  9.8631  6.423983       14.66532 
1 1 1 -19 39  2  o 17.808  7.6569  30.608     59.668   -81.8896   94.026   106.453    77.204   15.700  7.6489  24.173  9.3151  -8.472962      12.05313 
1 1 1 -19 39  3  o 11.891  5.7790  -64.0896   52.777   -54.6674   77.723   -72.1517   71.894   15.070  7.2471  13.904  6.7547  1.165407       9.906897 
1 1 1 -19 39  4  o 22.414  8.5993  86.203     65.596   38.866     97.096   125.949    88.971   20.043  9.1164  25.093  9.9033  -5.050411      13.46047 
1 1 1 -19 39  5  o 47.346  7.2195  348.672    80.314   324.811    115.270  371.184    111.965  38.324  11.488  43.098  10.744  -4.774345      15.72938 
1 1 1 -19 39  6  o 40.998  8.0109  276.694    76.834   287.586    109.232  266.026    108.097  35.947  11.262  34.271  11.250  1.675735       15.91804 
1 1 1 -19 39  7  o 13.882  6.7515  -69.9146   72.383   -188.6562  225.774  -56.3119   76.416   19.557  9.8794  14.718  7.1042  4.838755       12.16848 
1 1 1 -19 39  8  o 22.114  11.203  -41.3313   305.642  0.0000     0.0000   -41.3313   305.642  ?       ?       22.114  11.203  0.000000       11.20320 
1 1 1 -19 39  9  o 18.722  8.6849  18.819     94.281   5.2755     102.415  94.056     241.389  18.588  8.7600  23.034  11.420  -4.446232      14.39270 
1 1 1 -19 39  10 o 18.725  8.7081  17.770     95.716   -48.9673   104.158  380.117    242.701  16.954  8.2110  27.969  13.271  -11.01475      15.60573 
1 1 1 -19 39  11 o 19.184  8.9484  22.363     102.296  76.263     112.936  -223.9172  241.411  21.623  9.8340  19.445  9.8618  2.178288       13.92703 
1 1 1 -19 39  12 f 24.503  9.2026  116.806    74.158   186.868    100.259  32.171     110.193  28.386  10.693  19.848  9.2681  8.537134       14.15019 
1 1 1 -19 39  13 o 20.802  8.6035  70.619     70.759   55.502     93.203   91.185     108.715  20.354  9.1242  22.310  9.9378  -1.955505      13.49114 
1 1 1 -19 39  14 o 16.395  7.5088  3.7053     67.347   -22.0020   88.034   39.979     104.573  16.799  7.9774  19.996  9.2300  -3.196589      12.19963 
1 1 1 -19 39  15 f 15.799  7.6285  -51.3286   88.289   25.945     188.921  -72.9208   99.865   21.443  10.529  16.016  7.8206  5.426617       13.11610 
1 1 1 -19 39  16 o 19.103  9.0891  8.5481     115.338  0.0000     0.0000   8.5481     115.338  ?       ?       19.103  9.0891  0.000000       9.089089 
1 1 1 -19 39  17 o 19.806  9.1535  44.324     103.310  -43.8998   205.005  74.356     119.608  20.259  10.121  21.279  9.8394  -1.020016      14.11527 
1 1 1 -19 39  18 o 16.931  8.2666  -51.5838   111.494  0.0000     0.0000   -51.5838   111.494  ?       ?       16.931  8.2666  0.000000       8.266581 
1 1 1 -19 39  19 o 22.637  9.8128  117.461    99.607   145.884    194.389  107.340    115.993  22.427  10.942  21.902  9.9631  0.5241985      14.79833 
1 1 1 -19 40  1  o 23.042  9.1151  97.988     75.535   69.787     106.454  126.584    107.197  21.462  9.6748  24.326  10.356  -2.864159      14.17184 
1 1 1 -19 40  2  o 35.172  9.0362  224.298    77.527   354.239    125.939  145.008    98.378   38.188  12.110  25.620  10.312  12.56789       15.90558 
1 1 1 -19 40  3  o 20.851  8.2705  72.260     62.338   70.168     89.825   74.204     86.583   21.011  9.2092  21.196  9.1684  -0.1847305     12.99494 
1 1 1 -19 40  4  o 21.505  8.4605  80.483     64.744   14.104     97.043   133.730    86.915   18.586  8.6849  25.149  9.8298  -6.563181      13.11688 
1 1 1 -19 40  5  f 19.827  8.1265  61.469     62.396   81.269     90.547   43.565     86.103   21.495  9.3367  19.374  8.7204  2.120277       12.77573 
1 1 1 -19 40  6  o ?       ?       -374.6395  295.047  0.0000     0.0000   -374.6395  295.047  ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 40  7  o ?       ?       -138.1552  315.132  0.0000     0.0000   -138.1552  315.132  ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 40  8  o 18.005  8.4132  10.001     91.063   3.2204     95.175   83.423     313.183  17.953  8.4557  22.647  11.459  -4.694473      14.24098 
1 1 1 -19 40  9  o 19.299  8.9684  31.810     101.230  117.848    111.091  -389.2807  245.765  23.213  10.206  ?       ?       0.000000       10.20620 
1 1 1 -19 40  10 o 19.374  8.3787  52.822     72.281   10.440     98.607   102.041    106.264  18.392  8.6453  22.497  9.9328  -4.104500      13.16819 
1 1 1 -19 40  11 o 16.569  7.5515  9.7016     67.046   60.163     87.941   -60.3411   103.608  20.244  8.9821  16.488  8.0320  3.756235       12.04955 
1 1 1 -19 40  12 o 11.913  5.8906  -96.5507   62.665   -153.3714  82.366   -18.4592   96.560   12.629  6.3246  17.300  8.2546  -4.671123      10.39897 
1 1 1 -19 40  13 o 14.491  7.0425  -63.6325   78.344   -61.0708   168.503  -64.3390   88.490   19.209  9.5264  15.302  7.4475  3.907007       12.09208 
1 1 1 -19 40  14 o 24.420  10.324  140.770    105.309  122.825    192.713  148.410    125.744  22.781  11.065  24.181  10.734  -1.399801      15.41607 
1 1 1 -19 40  15 o 20.967  9.5067  76.484     104.523  2.7046     205.462  102.245    121.407  20.633  10.280  22.089  10.104  -1.455698      14.41363 
1 1 1 -19 40  16 f 16.419  7.9293  -33.3789   95.501   -357.6291  183.964  86.242     111.736  ?       ?       21.180  9.6897  0.000000       9.689683 
1 1 1 -19 40  17 o 19.866  9.1648  63.146     102.886  -39.9341   208.279  96.418     118.332  19.500  9.8046  21.247  9.8113  -1.746986      13.87048 
1 1 1 -19 41  1  o 13.603  6.5646  -51.7715   65.167   -128.1233  92.089   24.815     92.231   13.969  6.9470  18.608  8.6170  -4.638919      11.06859 
1 1 1 -19 41  2  o 18.614  8.2408  41.502     73.632   101.089    109.514  -7.6578    99.472   22.251  9.9383  17.686  8.4220  4.564754       13.02687 
1 1 1 -19 41  3  o 16.511  7.9442  -32.9846   93.684   -101.6943  97.934   707.485    321.497  14.958  7.3898  29.030  14.144  -14.07265      15.95782 
1 1 1 -19 41  4  o 20.605  9.4124  66.656     104.921  10.663     110.694  561.793    329.171  18.706  8.9011  26.708  13.257  -8.001995      15.96801 
1 1 1 -19 41  5  o 19.262  8.8879  39.830     96.829   -6.4465    101.221  538.633    332.317  17.733  8.4585  26.282  13.091  -8.549091      15.58569 
1 1 1 -19 41  6  o 13.984  6.9136  -103.2635  86.256   -78.9632   89.641   -406.9470  316.892  14.868  7.2914  ?       ?       0.000000       7.291411 
1 1 1 -19 41  7  o 23.830  8.7327  109.916    66.033   136.376    95.797   85.963     91.145   24.357  10.036  21.401  9.3309  2.955803       13.70360 
1 1 1 -19 41  8  o 17.903  7.7158  39.830     60.869   -91.0626   90.349   148.617    82.367   14.623  7.2004  26.154  9.7229  -11.53110      12.09875 
1 1 1 -19 41  9  o 29.678  9.1095  171.630    71.883   160.854    111.694  179.249    93.917   25.175  10.637  27.665  10.363  -2.489588      14.85045 
1 1 1 -19 41  10 o 16.436  7.5005  10.673     66.415   41.273     97.588   -15.7278   90.645   19.373  8.9335  16.877  8.0375  2.496408       12.01701 
1 1 1 -19 41  11 o 16.381  7.8242  -22.9867   87.219   198.292    216.301  -65.9513   95.311   23.795  11.595  15.615  7.6281  8.180555       13.87917 
1 1 1 -19 41  12 o 18.734  8.7596  27.551     98.966   84.983     193.578  7.2274     115.153  21.673  10.646  18.628  8.9224  3.045170       13.89043 
1 1 1 -19 41  13 f 19.367  8.9983  45.126     101.821  34.366     199.809  48.900     118.340  20.690  10.280  19.865  9.3782  0.8252602      13.91505 
1 1 1 -19 41  14 o 21.472  9.6497  98.978     104.958  141.225    207.203  84.397     121.731  22.073  10.876  20.869  9.7436  1.204195       14.60214 
1 1 1 -19 41  15 o 32.893  11.594  304.656    115.095  547.070    214.561  206.723    136.376  30.464  13.734  24.790  11.080  5.673113       17.64612 
1 1 1 -19 41  16 o 21.088  9.5139  105.198    103.183  223.929    196.810  60.191     121.171  22.655  11.044  19.425  9.2627  3.229631       14.41405 
1 1 1 -19 42  1  o 20.634  9.5414  71.922     112.482  93.386     126.265  -10.6120   247.591  21.494  9.9978  20.665  10.428  0.8293228      14.44632 
1 1 1 -19 42  2  o 28.968  11.886  268.435    133.673  83.080     148.162  1079.49    309.926  21.227  10.155  35.886  16.309  -14.65969      19.21235 
1 1 1 -19 42  3  o 13.314  6.5560  -86.5639   74.909   -56.4431   77.103   -593.4860  316.305  14.394  6.9933  ?       ?       0.000000       6.993346 
1 1 1 -19 42  4  o 26.324  10.685  183.277    106.590  226.214    112.376  -201.7758  336.524  28.617  11.179  ?       ?       0.000000       11.17940 
1 1 1 -19 42  5  o 14.984  6.9257  -3.1970    59.155   30.456     87.496   -31.5300   80.283   18.323  8.4525  15.474  7.4219  2.848326       11.24851 
1 1 1 -19 42  6  o 10.745  5.3479  -100.7624  55.017   -140.6899  87.524   -74.6806   70.739   13.175  6.5865  13.268  6.5004  -0.9261799E-01 9.254009 
1 1 1 -19 42  7  o 26.956  9.0817  147.076    70.349   204.046    101.278  93.961     97.790   28.368  10.732  21.578  9.5279  6.789955       14.35150 
1 1 1 -19 42  8  o 18.656  7.9525  51.264     63.372   47.364     98.209   54.046     82.953   19.396  8.9501  19.335  8.6417  0.6059647E-01  12.44119 
1 1 1 -19 42  9  o 14.178  6.8555  -48.8894   71.908   -285.1334  241.458  -25.8983   75.325   ?       ?       15.287  7.2930  0.000000       7.293036 
1 1 1 -19 42  10 o 21.233  9.3461  91.001     93.377   490.460    278.923  40.581     99.096   26.146  12.830  18.996  8.8429  7.149672       15.58217 
1 1 1 -19 42  11 o 21.388  9.2710  95.746     88.907   0.0004     279.430  106.530    93.781   20.540  10.436  21.919  9.5114  -1.378895      14.12036 
1 1 1 -19 42  12 o 24.657  10.059  156.041    95.053   235.383    259.228  143.716    102.170  22.478  11.252  23.477  10.055  -0.9987602     15.08970 
1 1 1 -19 42  13 o 28.046  11.059  236.628    110.858  263.667    206.356  225.659    131.435  23.293  11.345  25.429  11.143  -2.136475      15.90175 
1 1 1 -19 42  14 o 20.077  9.2040  88.167     101.535  90.312     192.617  87.342     119.484  20.075  9.9938  19.988  9.4326  0.8686829E-01  13.74225 
1 1 1 -19 43  1  o 30.251  12.123  305.958    135.290  358.494    153.119  118.950    288.888  30.806  12.690  21.565  10.921  9.241119       16.74268 
1 1 1 -19 43  2  o 24.870  9.0421  130.113    70.595   157.074    99.691   102.993    99.983   24.723  10.217  21.651  9.5932  3.072279       14.01520 
1 1 1 -19 43  3  o 18.849  8.1545  54.991     68.511   87.508     91.320   13.126     103.620  20.944  9.2296  18.066  8.6010  2.877850       12.61594 
1 1 1 -19 43  4  o 17.008  7.6975  24.612     68.165   45.646     91.423   -1.7180    102.289  18.932  8.6994  17.561  8.4109  1.370876       12.10046 
1 1 1 -19 43  5  o 14.104  6.6761  -22.1880   60.691   -59.3609   88.923   10.228     83.039   15.101  7.3751  17.091  8.0017  -1.990171      10.88210 
1 1 1 -19 43  6  o 19.845  8.1915  69.598     63.963   -2.3594    97.135   124.689    84.991   17.277  8.2535  23.391  9.5239  -6.113901      12.60259 
1 1 1 -19 43  7  o 19.038  8.5761  54.106     83.476   110.057    245.620  46.800     88.760   21.359  10.728  18.808  8.6163  2.550245       13.75943 
1 1 1 -19 43  8  f 21.857  10.983  175.230    258.944  175.230    258.944  0.0000     0.0000   21.857  10.983  ?       ?       0.000000       10.98254 
1 1 1 -19 43  9  o 17.434  8.0875  25.636     81.763   -30.8881   273.039  31.204     85.695   ?       ?       17.821  8.2716  0.000000       8.271579 
1 1 1 -19 43  10 o 25.711  10.347  183.849    99.011   350.964    290.165  161.827    105.333  22.691  11.430  23.858  10.213  -1.166283      15.32856 
1 1 1 -19 43  11 o 13.627  6.6737  -59.8394   74.337   -113.6922  273.250  -55.5353   77.250   ?       ?       13.982  6.8380  0.000000       6.838030 
1 1 1 -19 43  12 o 19.233  8.7168  75.102     87.775   158.391    268.212  65.112     92.890   20.245  10.281  18.795  8.6841  1.449858       13.45759 
1 1 1 -19 44  1  o 20.093  8.4987  75.842     71.425   58.670     100.979  93.035     101.041  19.410  8.9985  20.885  9.4193  -1.474813      13.02669 
1 1 1 -19 44  2  o 17.023  7.7104  27.779     68.548   98.409     92.879   -56.7209   101.590  21.228  9.3329  15.799  7.7505  5.429535       12.13155 
1 1 1 -19 44  3  o 33.526  9.2053  227.342    77.167   256.907    102.271  188.259    117.585  31.266  10.936  24.901  10.728  6.364946       15.31927 
1 1 1 -19 44  4  o 17.870  8.3365  29.795     88.833   23.721     170.469  32.059     104.081  19.438  9.6298  18.407  8.7215  1.031073       12.99223 
1 1 1 -19 44  5  o 15.878  7.6804  -27.1077   90.449   -63.0453   188.555  -16.3666   103.083  18.400  9.2614  16.811  8.1487  1.588146       12.33588 
1 1 1 -19 44  6  o 18.080  8.3480  40.861     85.631   302.557    249.456  5.9048     91.171   22.806  11.356  16.908  8.0545  5.897949       13.92270 
1 1 1 -19 44  7  o 25.557  10.243  182.024    96.591   395.964    261.038  148.084    103.971  23.422  11.656  22.941  9.9849  0.4808426      15.34776 
1 1 1 -19 44  8  o 18.202  8.4205  49.111     87.748   -137.7656  269.298  71.309     92.813   ?       ?       19.229  8.8097  0.000000       8.809730 
1 1 1 -19 44  9  o 14.456  7.0922  -52.0485   85.116   255.654    248.274  -93.0302   90.607   21.197  10.664  13.825  6.8780  7.371398       12.68959 
1 1 1 -19 44  10 o 23.119  9.7238  156.214    92.657   49.338     286.170  168.730    97.932   ?       ?       23.442  9.9354  0.000000       9.935431 
1 1 1 -19 45  1  o 16.258  7.5308  15.500     70.515   65.727     103.227  -28.4437   96.554   19.317  9.0034  16.028  7.7961  3.289009       11.90969 
1 1 1 -19 45  2  o 15.995  7.6978  -13.6031   88.080   -25.8939   173.250  -9.3191    102.285  18.303  9.1672  16.765  8.1239  1.537977       12.24890 
1 1 1 -19 45  3  o 16.611  7.9305  4.9302     89.409   -122.7250  164.142  58.786     106.614  16.741  8.4527  18.923  8.9239  -2.182758      12.29168 
1 1 1 -19 45  4  o 16.002  7.6971  -8.5304    87.798   -27.0521   164.759  -1.1849    103.758  17.904  8.9634  16.877  8.1791  1.027617       12.13430 
1 1 1 -19 45  5  o ?       ?       -316.8788  148.918  -316.8788  148.918  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -19 45  6  o 18.695  9.3849  41.179     186.660  41.179     186.660  0.0000     0.0000   18.695  9.3849  ?       ?       0.000000       9.384940 
1 1 1 -19 45  7  o 15.775  7.5529  3.5764     82.346   223.930    267.378  -19.5143   86.553   20.045  10.187  15.227  7.4006  4.817323       12.59156 
1 1 1 -19 45  8  o 18.495  8.4270  74.315     83.427   -35.0848   253.575  87.594     88.346   ?       ?       19.071  8.6828  0.000000       8.682795 
1 1 1 -19 46  1  o 20.460  9.2151  107.358    96.332   217.846    185.229  66.394     112.785  21.508  10.534  18.769  8.9460  2.739136       13.81989 
1 1 1 -19 46  2  o 17.005  8.0700  28.032     89.810   61.024     165.729  14.315     106.861  18.756  9.3264  17.031  8.2646  1.725542       12.46136 
1 1 1 -19 46  3  o 19.901  9.0286  102.214    94.444   117.146    174.941  96.071     112.200  19.436  9.6505  19.384  9.1452  0.5247879E-01  13.29535 
1 1 1 -19 46  4  o 16.863  8.0286  32.031     90.305   61.209     170.296  20.616     106.515  18.336  9.1694  16.879  8.2047  1.457102       12.30429 
1 1 1 -19 46  5  o 20.060  9.0089  114.161    91.307   119.994    193.797  112.497    103.516  18.802  9.4541  19.605  9.0965  -0.8036747     13.11968 
1 1 1 -19 47  1  o 16.818  8.0195  38.120     90.837   -211.0070  168.127  140.823    107.949  ?       ?       20.461  9.4208  0.000000       9.420773 
1 1 1 -19 47  2  o 14.657  7.1876  -24.1030   87.082   -172.2310  163.850  34.208     102.802  ?       ?       16.718  8.1113  0.000000       8.111286 
1 1 1 -18 -51 27 o 14.980  7.2541  14.744     81.227   85.280     129.736  -30.7321   104.171  17.108  8.4621  14.545  7.2583  2.562911       11.14852 
1 1 1 -18 -51 28 o 12.748  6.3672  -72.7124   80.984   -135.8945  129.065  -31.6834   104.006  13.872  7.0527  14.596  7.2787  -0.7243824     10.13510 
1 1 1 -18 -51 29 o 13.746  6.2949  15.704     47.316   2.3436     102.158  19.353     53.387   15.324  7.5666  14.282  6.5934  1.041972       10.03625 
1 1 1 -18 -51 30 o 14.110  6.4131  20.360     47.930   50.587     103.560  12.120     54.070   16.597  8.0730  13.963  6.5105  2.634378       10.37109 
1 1 1 -18 -51 31 o 8.4232  4.2309  -83.5255   38.237   -69.2485   97.369   -86.1286   41.577   13.770  6.8933  8.8288  4.4316  4.941522       8.194936 
1 1 1 -18 -51 32 o 15.313  6.7673  36.319     49.433   -6.9815    112.155  46.759     55.071   15.494  7.6989  16.135  7.1358  -0.6407652     10.49732 
1 1 1 -18 -51 33 o 12.009  5.6799  -10.9148   43.779   -42.2074   102.982  -4.0120    48.368   14.560  7.2579  12.789  6.0250  1.770831       9.432814 
1 1 1 -18 -51 34 o 10.105  4.9735  -52.0818   42.940   -206.8091  100.584  -17.5984   47.484   ?       ?       12.049  5.7599  0.000000       5.759887 
1 1 1 -18 -51 35 o 10.823  5.2429  -32.7978   42.521   4.8286     102.487  -40.6215   46.734   15.572  7.6681  10.994  5.3641  4.578803       9.358073 
1 1 1 -18 -51 36 o 12.880  5.9994  1.5281     45.718   83.768     112.589  -14.7095   50.028   17.643  8.5429  12.418  5.9298  5.225049       10.39915 
1 1 1 -18 -51 37 o 14.517  6.5653  24.433     49.480   57.449     132.212  19.056     53.358   17.009  8.4361  14.373  6.6198  2.636485       10.72327 
1 1 1 -18 -51 38 o 23.205  7.8803  120.826    52.972   102.343    143.079  123.762    57.024   17.778  8.8099  22.814  8.1483  -5.036295      12.00037 
1 1 1 -18 -51 39 o 9.6832  4.8115  -67.1720   43.796   37.584     134.294  -79.6392   46.329   16.586  8.2709  9.6315  4.8115  6.954384       9.568611 
1 1 1 -18 -51 40 o 13.219  6.1395  6.3866     47.328   -11.1840   149.237  8.3514     49.904   15.962  8.0598  13.508  6.2838  2.454471       10.21995 
1 1 1 -18 -51 41 o 11.906  5.8840  -55.5618   62.238   -259.4640  148.699  -12.2538   68.530   ?       ?       13.695  6.6396  0.000000       6.639643 
1 1 1 -18 -50 22 o 12.850  6.2101  -20.9452   58.832   25.109     101.456  -44.2768   72.213   15.996  7.8258  13.020  6.4163  2.975349       10.11990 
1 1 1 -18 -50 23 o 15.624  7.0722  36.526     57.565   -3.9820    111.345  51.303     67.250   15.665  7.7646  16.608  7.5669  -0.9429102     10.84190 
1 1 1 -18 -50 24 f 16.783  7.3789  53.027     58.066   202.240    109.624  -5.1626    68.458   22.355  9.9669  14.206  6.8241  8.148609       12.07925 
1 1 1 -18 -50 25 o 25.297  8.6619  153.810    64.006   80.361     122.870  181.164    74.983   17.924  8.7351  25.864  9.3319  -7.939779      12.78221 
1 1 1 -18 -50 26 o 16.531  7.7235  41.304     76.693   2.7357     109.345  78.650     107.598  16.068  7.9138  18.048  8.6393  -1.979898      11.71601 
1 1 1 -18 -50 27 o 14.297  6.9949  -28.6215   81.064   -3.4067    127.466  -45.7452   105.043  16.405  8.1609  14.961  7.4370  1.444057       11.04124 
1 1 1 -18 -50 28 f 21.853  8.5744  118.637    66.331   227.452    146.209  90.437     74.432   21.538  10.243  19.242  8.4098  2.296082       13.25330 
1 1 1 -18 -50 29 o 10.221  5.0977  -85.0798   51.079   -192.8962  127.155  -64.3343   55.777   13.753  6.9928  11.352  5.6028  2.400161       8.960528 
1 1 1 -18 -50 30 o 16.889  7.4208  49.306     58.645   -62.4977   141.124  72.643     64.476   15.928  8.0167  18.463  7.9491  -2.534755      11.28964 
1 1 1 -18 -50 31 o 10.717  5.2192  -43.2084   43.659   -39.5563   104.954  -43.9726   48.009   15.241  7.5516  11.221  5.4667  4.020205       9.322692 
1 1 1 -18 -50 32 o 21.965  7.6565  99.406     50.110   8.2276     110.190  123.178    56.264   16.503  8.0913  23.844  8.1214  -7.341034      11.46413 
1 1 1 -18 -50 33 o 16.348  6.9902  43.114     49.240   14.639     107.561  50.664     55.384   16.617  8.1144  17.015  7.3464  -0.3986320     10.94590 
1 1 1 -18 -50 34 o 15.012  6.5878  27.580     46.087   -68.0445   110.536  47.701     50.704   14.937  7.4575  16.749  7.1258  -1.811828      10.31461 
1 1 1 -18 -50 35 o 17.878  7.2815  60.543     49.702   193.572    116.450  30.912     54.959   22.472  10.126  15.642  7.0096  6.830190       12.31516 
1 1 1 -18 -50 36 o 21.013  7.7161  92.416     51.590   232.147    116.384  58.245     57.554   24.255  10.561  17.589  7.5402  6.665903       12.97619 
1 1 1 -18 -50 37 o 16.532  7.0558  45.293     49.998   97.011     107.241  30.930     56.516   19.051  8.9737  15.690  7.0633  3.360473       11.42001 
1 1 1 -18 -50 38 o 15.470  6.7202  33.279     46.914   174.662    113.426  4.0993     51.529   21.779  9.8858  13.813  6.4121  7.966568       11.78323 
1 1 1 -18 -50 39 f 11.120  5.3836  -36.4707   44.668   -171.4552  145.107  -22.3407   46.948   14.718  7.4824  12.021  5.7412  2.697003       9.431170 
1 1 1 -18 -50 40 o 15.190  6.7766  27.900     50.753   -81.9024   153.465  41.384     53.779   15.940  8.0606  16.236  7.1207  -0.2959318     10.75540 
1 1 1 -18 -50 41 o 16.049  7.0510  39.593     52.930   285.816    158.274  8.5880     56.164   22.504  10.689  14.305  6.6586  8.198659       12.59367 
1 1 1 -18 -50 42 o 15.201  6.8360  27.859     52.781   92.535     156.327  19.538     56.074   18.312  9.0974  14.854  6.8207  3.458057       11.37031 
1 1 1 -18 -50 43 o 19.078  8.5837  95.550     83.332   -44.1196   208.838  121.999    90.880   ?       ?       20.129  9.0174  0.000000       9.017390 
1 1 1 -18 -50 44 o 18.099  8.2830  77.432     81.739   366.005    200.208  19.709     89.542   21.495  10.610  15.945  7.6949  5.550504       13.10656 
1 1 1 -18 -50 45 o 11.656  5.8215  -88.9317   67.608   -102.7178  158.525  -85.8667   74.746   15.421  7.8380  12.288  6.1344  3.133361       9.953160 
1 1 1 -18 -49 19 o 14.234  7.0672  -53.8855   93.793   281.959    305.363  -88.8708   98.558   ?       ?       13.766  6.8978  0.000000       6.897759 
1 1 1 -18 -49 20 o 18.077  8.4878  73.280     94.606   -19.6836   291.912  84.190     100.004  ?       ?       18.446  8.6817  0.000000       8.681705 
1 1 1 -18 -49 21 o 12.633  6.2115  -55.5296   66.404   0.0000     0.0000   -55.5296   66.404   ?       ?       12.633  6.2115  0.000000       6.211493 
1 1 1 -18 -49 22 o 13.360  6.2728  -5.5789    51.669   -7.9277    108.555  -4.8909    58.750   16.165  7.9468  13.950  6.5925  2.215145       10.32533 
1 1 1 -18 -49 23 o 18.109  7.7585  63.575     60.870   101.227    115.526  49.105     71.618   19.343  9.1719  17.264  7.8437  2.079388       12.06841 
1 1 1 -18 -49 24 o 19.716  8.0243  82.773     60.304   161.508    112.889  51.334     71.335   21.777  9.8763  17.456  7.8897  4.321215       12.64075 
1 1 1 -18 -49 25 o 22.508  8.6969  119.724    67.438   77.562     114.844  141.914    83.314   18.823  8.9870  22.795  9.3720  -3.971655      12.98468 
1 1 1 -18 -49 26 o 20.250  7.6545  81.928     51.490   22.738     105.707  100.340    58.957   17.182  8.3089  21.550  8.1800  -4.368395      11.65978 
1 1 1 -18 -49 27 o 16.614  7.0454  42.832     49.290   130.956    108.425  19.875     55.339   20.975  9.5765  15.237  6.9119  5.738254       11.81029 
1 1 1 -18 -49 28 o 15.939  7.0362  31.888     53.298   -82.3960   106.686  69.898     61.526   14.837  7.3943  18.849  7.9257  -4.012789      10.83936 
1 1 1 -18 -49 29 o 14.513  6.7630  2.7401     58.198   41.810     126.578  -7.7334    65.536   18.163  8.8548  14.543  6.8992  3.620634       11.22532 
1 1 1 -18 -49 30 o 17.730  7.7589  53.550     63.542   244.701    135.068  -0.7794    72.008   24.360  10.947  15.249  7.2335  9.111098       13.12119 
1 1 1 -18 -49 31 o 19.222  8.1527  74.954     66.018   39.187     147.777  83.872     73.791   18.400  9.0883  19.677  8.4878  -1.276653      12.43545 
1 1 1 -18 -49 32 o 12.992  6.1908  -22.0803   53.938   -242.1742  130.958  22.883     59.192   ?       ?       15.706  7.1339  0.000000       7.133888 
1 1 1 -18 -49 33 o 11.758  5.5961  -24.5294   43.800   -45.3562   105.171  -20.1593   48.176   15.614  7.7039  12.490  5.9225  3.124239       9.717303 
1 1 1 -18 -49 34 o 22.513  7.6715  99.117     50.204   44.299     114.668  112.117    55.840   18.162  8.7509  23.347  8.0855  -5.184797      11.91443 
1 1 1 -18 -49 35 o 16.420  6.9532  39.884     47.896   41.032     111.381  39.623     53.052   18.021  8.6688  16.563  7.1705  1.458570       11.25009 
1 1 1 -18 -49 36 o 14.578  6.4353  19.282     44.586   -82.3784   107.792  40.265     48.971   14.965  7.4540  16.482  7.0074  -1.517561      10.23064 
1 1 1 -18 -49 37 o 11.170  5.3661  -32.6586   42.341   -25.7281   105.321  -33.9945   46.242   16.075  7.8872  11.611  5.5854  4.463891       9.664570 
1 1 1 -18 -49 38 o 11.729  5.6038  -27.5708   44.815   -45.1409   108.600  -23.9647   49.200   15.749  7.7811  12.411  5.9138  3.337775       9.773358 
1 1 1 -18 -49 39 o 15.142  6.6490  24.847     47.018   67.153     115.506  16.444     51.476   18.776  8.9780  14.841  6.7055  3.934848       11.20571 
1 1 1 -18 -49 40 o 11.443  5.5062  -33.9168   45.015   -165.4496  141.576  -19.1236   47.479   15.104  7.6491  12.440  5.8932  2.663774       9.656004 
1 1 1 -18 -49 41 o 13.847  6.4126  0.9653     51.086   -23.1708   147.351  4.2628     54.464   17.220  8.5992  14.300  6.6220  2.919808       10.85348 
1 1 1 -18 -49 42 o 22.052  7.9384  100.439    54.226   118.865    144.520  97.420     58.500   19.885  9.6410  21.340  8.1366  -1.454475      12.61557 
1 1 1 -18 -49 43 o 17.475  7.3596  53.164     53.191   133.927    176.171  45.064     55.794   19.804  9.8070  16.881  7.3309  2.922377       12.24420 
1 1 1 -18 -49 44 o 19.545  8.6286  89.107     80.172   143.409    157.634  70.160     93.114   20.048  9.7970  18.505  8.6002  1.542431       13.03625 
1 1 1 -18 -49 45 f 20.796  9.0310  115.533    84.674   245.973    173.288  74.621     97.049   21.646  10.509  18.569  8.6798  3.076591       13.62989 
1 1 1 -18 -49 46 o 19.120  8.5655  86.486     82.006   41.378     170.656  100.029    93.510   17.996  9.0255  19.536  8.9093  -1.539934      12.68212 
1 1 1 -18 -49 47 o 15.168  6.7616  27.273     50.427   181.007    112.976  -10.9758   56.352   22.053  9.9517  13.431  6.3793  8.622287       11.82080 
1 1 1 -18 -49 48 o 19.565  7.7045  82.094     53.738   70.733     121.714  84.845     59.891   17.956  8.7382  19.442  7.9643  -1.485914      11.82311 
1 1 1 -18 -48 16 o 15.169  6.4947  31.605     42.606   -34.5418   109.107  43.506     46.281   15.525  7.6935  16.323  6.8692  -0.7979755     10.31393 
1 1 1 -18 -48 17 o 20.557  7.3947  83.194     47.043   171.697    114.837  65.347     51.569   21.947  9.9563  18.409  7.4465  3.538008       12.43290 
1 1 1 -18 -48 18 o 14.860  6.5622  23.075     46.404   -51.1462   110.922  38.820     51.090   15.530  7.7067  16.270  7.0403  -0.7400513     10.43835 
1 1 1 -18 -48 19 o 16.985  7.8503  36.489     76.013   181.438    114.098  -79.1843   101.927  22.965  10.208  14.651  7.2896  8.314735       12.54382 
1 1 1 -18 -48 20 f 16.873  8.0365  20.297     90.685   86.474     281.064  12.607     95.809   ?       ?       16.782  8.0645  0.000000       8.064486 
1 1 1 -18 -48 21 o 19.991  8.7649  89.547     81.423   0.0000     0.0000   89.547     81.423   ?       ?       19.991  8.7649  0.000000       8.764932 
1 1 1 -18 -48 22 f 16.727  7.6429  31.209     69.226   -98.1456   207.044  47.490     73.454   17.699  8.9919  17.714  8.0061  -0.1510429E-01 12.03961 
1 1 1 -18 -48 23 o 15.315  6.9788  15.710     57.233   88.529     194.790  8.8298     59.876   19.761  9.8708  15.105  6.9767  4.655353       12.08747 
1 1 1 -18 -48 24 o 15.996  7.2211  24.467     59.555   110.245    109.955  -11.1424   70.846   20.705  9.5238  14.957  7.1184  5.748034       11.89015 
1 1 1 -18 -48 25 o 16.683  7.0242  40.621     48.434   29.866     104.105  43.592     54.716   17.860  8.5353  17.114  7.3447  0.7453289      11.26035 
1 1 1 -18 -48 26 o 17.367  7.1319  48.123     48.174   -80.2250   104.949  82.385     54.224   15.094  7.4913  20.605  7.8391  -5.511085      10.84306 
1 1 1 -18 -48 27 o 20.159  7.5910  76.153     50.522   -29.3454   105.924  107.222    57.482   16.313  7.9842  22.998  8.1845  -6.684950      11.43388 
1 1 1 -18 -48 28 o 12.110  5.6862  -16.8834   42.458   37.766     101.586  -28.4501   46.735   18.132  8.5983  12.044  5.7455  6.087945       10.34130 
1 1 1 -18 -48 29 o 13.518  6.1930  0.0371     45.865   -57.3219   98.359   15.974     51.847   15.285  7.5240  15.058  6.7734  0.2269125      10.12369 
1 1 1 -18 -48 30 o 14.907  6.8294  8.6901     55.771   49.903     97.233   -11.5165   68.084   18.508  8.6629  14.829  7.0342  3.678645       11.15914 
1 1 1 -18 -48 31 o 13.395  6.4148  -29.0799   59.458   -73.3522   139.951  -19.3291   65.680   16.739  8.3624  14.333  6.8302  2.406655       10.79725 
1 1 1 -18 -48 32 o ?       ?       -165.9446  47.418   -72.4953   120.873  -182.9422  51.551   16.057  7.9809  ?       ?       0.000000       7.980901 
1 1 1 -18 -48 33 o 13.285  6.3618  -29.6670   58.483   44.356     145.704  -43.8830   63.852   19.060  9.3365  13.247  6.4190  5.813304       11.33023 
1 1 1 -18 -48 34 o 12.635  5.9421  -16.9189   46.672   96.398     106.605  -43.7878   51.911   20.417  9.3861  12.011  5.8120  8.405709       11.03987 
1 1 1 -18 -48 35 o 10.445  5.1186  -57.4080   43.925   114.683    106.344  -92.8071   48.231   21.198  9.6023  9.8911  4.9363  11.30729       10.79683 
1 1 1 -18 -48 36 o 17.500  7.1690  48.831     48.527   185.365    109.718  15.627     54.107   24.543  10.463  15.222  6.8764  9.321131       12.52032 
1 1 1 -18 -48 37 o 23.382  7.7192  103.546    50.869   -77.3880   123.637  140.416    55.812   16.095  8.0115  27.240  7.9503  -11.14518      11.28681 
1 1 1 -18 -48 38 o 20.650  7.7512  81.168     52.596   192.545    121.322  55.392     58.366   24.100  10.628  18.189  7.6875  5.910950       13.11716 
1 1 1 -18 -48 39 f 15.673  6.8329  27.123     48.868   -60.9255   117.995  45.352     53.689   16.173  8.0120  17.306  7.3468  -1.133230      10.87051 
1 1 1 -18 -48 40 o 14.886  6.6701  15.430     49.754   120.242    120.276  -6.2084    54.649   21.137  9.8065  14.012  6.5374  7.125083       11.78580 
1 1 1 -18 -48 41 o 21.712  7.8151  91.159     52.552   174.447    124.856  73.227     57.933   23.050  10.426  19.645  7.9115  3.405401       13.08803 
1 1 1 -18 -48 42 o 14.225  6.4723  6.6666     48.990   -44.9420   112.129  18.843     54.464   16.215  7.9917  15.412  6.9363  0.8034401      10.58204 
1 1 1 -18 -48 43 o 13.750  6.2652  3.6483     46.111   -232.5677  107.541  56.861     51.042   12.765  6.4848  18.191  7.3907  -5.426302      9.832353 
1 1 1 -18 -48 44 o 14.909  6.7056  15.692     50.798   150.728    111.942  -19.3264   57.005   22.392  10.021  13.530  6.4234  8.861670       11.90308 
1 1 1 -18 -48 45 o 28.713  10.169  214.393    88.626   318.415    180.572  181.383    101.720  24.420  11.546  24.549  10.247  -0.1293297     15.43734 
1 1 1 -18 -48 46 o 18.783  8.4247  66.704     79.582   -39.9428   166.092  98.485     90.668   17.604  8.8390  20.344  9.0678  -2.740116      12.66308 
1 1 1 -18 -48 47 o 17.410  7.9250  43.907     73.560   12.758     155.250  52.924     83.532   18.090  9.0000  18.033  8.2969  0.5691147E-01  12.24091 
1 1 1 -18 -48 48 o 13.867  6.3648  4.6606     48.749   128.388    120.856  -19.3824   53.276   20.603  9.6481  13.013  6.1872  7.589855       11.46159 
1 1 1 -18 -48 49 o 14.309  6.5702  8.9342     52.018   12.728     129.498  8.2042     56.802   17.363  8.5632  14.603  6.7625  2.759562       10.91144 
1 1 1 -18 -48 50 o 16.897  7.2066  48.032     52.095   107.322    132.134  37.119     56.686   19.315  9.3278  16.206  7.2000  3.108826       11.78332 
1 1 1 -18 -47 13 o 17.804  7.1824  57.626     47.838   0.0000     0.0000   57.626     47.838   ?       ?       17.804  7.1824  0.000000       7.182397 
1 1 1 -18 -47 14 f 13.052  5.9830  0.6482     42.888   90.914     115.068  -13.9143   46.218   19.390  9.1822  12.547  5.9045  6.842863       10.91672 
1 1 1 -18 -47 15 o 16.645  6.8168  43.253     43.862   32.892     105.288  45.429     48.248   17.711  8.4959  16.936  7.0626  0.7745686      11.04810 
1 1 1 -18 -47 16 o 17.375  7.0114  49.462     45.601   -78.6370   110.757  75.609     50.039   15.319  7.6183  19.993  7.5487  -4.674205      10.72484 
1 1 1 -18 -47 17 o 20.630  7.4383  79.088     47.628   145.268    113.880  65.058     52.434   22.143  9.9919  18.943  7.5624  3.200191       12.53107 
1 1 1 -18 -47 18 o 19.532  7.7419  70.887     54.590   153.600    114.582  46.599     62.090   22.653  10.138  17.611  7.6894  5.042143       12.72453 
1 1 1 -18 -47 19 o 21.613  8.3062  95.170     61.267   174.111    118.111  66.110     71.662   23.561  10.434  19.092  8.2995  4.469351       13.33210 
1 1 1 -18 -47 20 o 23.165  8.2545  107.709    58.488   134.386    119.580  99.320     67.057   21.911  10.024  21.728  8.5905  0.1827660      13.20156 
1 1 1 -18 -47 21 o 11.634  5.6979  -62.7436   54.206   -170.2003  99.179   -16.9719   64.730   13.226  6.6647  14.458  6.8584  -1.232601      9.563279 
1 1 1 -18 -47 22 o 16.290  7.5162  15.854     69.228   253.632    191.615  -19.8430   74.243   23.447  11.301  15.074  7.2050  8.373312       13.40240 
1 1 1 -18 -47 23 o 11.833  5.9283  -129.3649  72.674   -89.8580   174.917  -137.6073  79.896   17.736  8.9263  12.325  6.1806  5.410691       10.85720 
1 1 1 -18 -47 24 o 19.961  8.6357  77.152     76.842   248.655    209.906  50.612     82.573   22.965  11.240  18.536  8.4219  4.428720       14.04510 
1 1 1 -18 -47 25 o 17.594  7.1565  48.318     47.928   108.620    203.247  44.768     49.319   20.798  10.340  17.301  7.1713  3.497566       12.58307 
1 1 1 -18 -47 26 o 16.973  6.9970  42.112     46.592   102.804    112.237  29.475     51.213   20.965  9.6355  16.122  7.0124  4.842827       11.91705 
1 1 1 -18 -47 27 o 18.995  7.3494  62.318     48.210   114.959    106.962  48.898     54.007   21.546  9.7067  17.767  7.4457  3.779076       12.23346 
1 1 1 -18 -47 28 o 34.027  6.9115  191.202    55.116   180.558    116.428  194.276    62.571   24.275  10.566  32.766  7.9509  -8.491419      13.22327 
1 1 1 -18 -47 29 o 40.363  6.1887  253.931    58.677   343.890    116.285  223.202    67.963   35.099  11.675  34.913  8.1680  0.1865921      14.24853 
1 1 1 -18 -47 30 o 26.279  7.5452  124.110    50.639   213.919    111.581  100.815    56.829   26.513  10.867  22.676  8.1306  3.837593       13.57204 
1 1 1 -18 -47 31 o 13.826  6.2238  6.0548     43.873   -92.0672   103.941  27.326     48.395   15.008  7.4496  15.786  6.8415  -0.7782383     10.11445 
1 1 1 -18 -47 32 o 20.641  8.5012  85.332     68.699   70.730     151.823  89.091     77.037   20.013  9.7438  20.724  8.7993  -0.7105904     13.12897 
1 1 1 -18 -47 33 o 20.665  8.5176  85.676     69.030   121.612    144.228  74.998     78.619   21.284  10.137  19.823  8.6538  1.461281       13.32839 
1 1 1 -18 -47 34 o 19.933  8.2309  75.061     64.614   -173.9487  146.304  135.400    72.019   15.763  7.9617  24.721  9.1108  -8.958289      12.09936 
1 1 1 -18 -47 35 o 28.931  9.3564  181.906    74.902   219.185    160.193  171.475    84.736   23.750  11.117  26.500  9.8597  -2.750303      14.85961 
1 1 1 -18 -47 36 f 42.947  6.2100  287.206    62.834   339.429    134.673  272.674    71.040   31.288  12.234  39.679  7.6560  -8.391047      14.43219 
1 1 1 -18 -47 37 o 19.049  7.5637  62.971     52.191   200.149    121.956  32.217     57.746   25.004  10.848  16.683  7.3463  8.320625       13.10171 
1 1 1 -18 -47 38 o 21.978  7.8658  91.197     53.165   27.147     121.671  106.312    59.106   18.648  8.9920  23.144  8.2926  -4.496758      12.23207 
1 1 1 -18 -47 39 o 11.751  5.6286  -34.5322   45.825   -155.7555  114.389  -11.3583   50.014   14.510  7.2920  13.425  6.2605  1.084761       9.610729 
1 1 1 -18 -47 40 o 30.006  9.0763  185.440    71.715   258.329    124.086  148.882    87.878   28.059  11.475  24.520  9.7899  3.538376       15.08407 
1 1 1 -18 -47 41 o 18.494  8.0425  53.872     67.342   227.092    115.185  -36.0811   83.005   27.189  11.081  15.196  7.3523  11.99272       13.29806 
1 1 1 -18 -47 42 o 14.873  6.6351  14.092     48.655   55.400     114.612  5.0110     53.737   19.386  9.1757  14.715  6.7276  4.670936       11.37775 
1 1 1 -18 -47 43 o 11.597  5.5525  -34.0515   44.497   -90.8851   102.274  -20.7815   49.419   14.993  7.4331  12.866  6.0698  2.127175       9.596518 
1 1 1 -18 -47 44 o 14.245  6.4335  6.8140     47.329   -68.0598   109.162  24.147     52.522   15.856  7.8279  15.847  6.9905  0.9788513E-02  10.49497 
1 1 1 -18 -47 45 o 26.226  7.9845  129.352    55.368   164.027    119.494  119.872    62.480   23.397  10.421  24.205  8.5415  -0.8075447     13.47398 
1 1 1 -18 -47 46 o 24.081  9.5639  140.878    83.464   157.209    180.597  136.443    94.118   21.682  10.572  23.080  9.7587  -1.397909      14.38723 
1 1 1 -18 -47 47 o 23.147  9.3773  128.293    81.912   41.379     186.578  149.044    91.167   19.594  9.7675  23.965  9.8228  -4.371054      13.85252 
1 1 1 -18 -47 48 o 24.710  9.9681  163.260    92.139   474.409    211.994  90.794     102.308  27.130  12.728  20.281  9.2762  6.849018       15.74982 
1 1 1 -18 -47 49 o 14.814  6.6626  14.366     50.144   80.338     128.323  2.4772     54.476   19.724  9.4396  14.436  6.6630  5.287678       11.55432 
1 1 1 -18 -47 50 o 13.289  6.2751  -15.8013   53.030   86.492     125.031  -38.2390   58.557   19.699  9.3975  12.865  6.2121  6.833835       11.26514 
1 1 1 -18 -47 51 o 13.000  6.3402  -49.5864   65.077   16.546     123.460  -75.0308   76.580   17.651  8.6350  13.218  6.5313  4.432271       10.82683 
1 1 1 -18 -47 52 o 16.225  8.2232  -127.5506  165.901  -127.5506  165.901  0.0000     0.0000   16.225  8.2232  ?       ?       0.000000       8.223219 
1 1 1 -18 -46 11 o 15.512  6.7238  29.143     46.758   0.0000     0.0000   29.143     46.758   ?       ?       15.512  6.7238  0.000000       6.723757 
1 1 1 -18 -46 12 o 11.985  5.6197  -15.7474   41.224   0.0000     0.0000   -15.7474   41.224   ?       ?       11.985  5.6197  0.000000       5.619658 
1 1 1 -18 -46 13 o 12.237  5.6573  -8.8671    39.509   -30.5956   100.717  -4.9155    42.951   16.118  7.8668  12.910  5.9434  3.208470       9.859550 
1 1 1 -18 -46 14 o 11.691  5.4760  -17.1203   38.973   -84.2931   99.852   -5.0484    42.330   14.885  7.3735  12.878  5.9183  2.006778       9.454885 
1 1 1 -18 -46 15 o 10.025  4.8877  -49.1582   38.575   -6.2280    98.111   -57.0083   41.954   16.902  8.1319  10.228  5.0102  6.674061       9.551389 
1 1 1 -18 -46 16 o 12.745  5.8754  -7.8429    42.173   79.820     109.935  -22.9691   45.666   20.235  9.3835  12.313  5.8167  7.921996       11.04014 
1 1 1 -18 -46 17 o 14.327  6.6006  -1.4481    53.103   35.097     106.516  -13.5354   61.258   18.663  8.8368  14.442  6.7965  4.221242       11.14816 
1 1 1 -18 -46 18 o 14.842  6.8508  0.2803     57.606   10.427     108.700  -3.6822    67.929   17.991  8.6307  15.448  7.2338  2.543049       11.26128 
1 1 1 -18 -46 19 f 17.732  7.6275  44.214     59.259   149.534    113.610  4.8496     69.456   23.375  10.298  15.962  7.4215  7.412930       12.69366 
1 1 1 -18 -46 20 o 21.407  7.9065  85.013     54.291   190.734    102.484  43.770     64.010   26.490  10.574  17.872  7.8052  8.618336       13.14229 
1 1 1 -18 -46 21 o 12.494  5.9173  -25.4831   47.804   -30.8827   102.009  -23.9636   54.114   16.556  8.0436  13.294  6.2959  3.261736       10.21461 
1 1 1 -18 -46 22 o 12.865  5.9014  -5.9447    41.823   158.501    100.868  -40.0850   45.959   24.490  10.212  11.559  5.5623  12.93069       11.62867 
1 1 1 -18 -46 23 o 18.093  7.9955  45.147     69.007   -36.7182   197.223  56.568     73.664   19.141  9.6136  18.899  8.3101  0.2423115      12.70744 
1 1 1 -18 -46 24 o 27.242  10.193  184.744    90.818   0.0000     0.0000   184.744    90.818   ?       ?       27.242  10.193  0.000000       10.19323 
1 1 1 -18 -46 25 o 16.062  7.4554  7.0660     69.638   118.821    192.887  -9.6838    74.675   21.367  10.521  15.657  7.4094  5.709850       12.86838 
1 1 1 -18 -46 26 o 20.297  8.6213  78.410     73.998   -86.3005   204.430  103.245    79.381   18.684  9.4339  21.909  9.0911  -3.225166      13.10142 
1 1 1 -18 -46 27 o 13.104  6.0848  -11.0176   46.457   -206.8401  206.737  -0.6031    47.677   17.547  8.9216  13.867  6.3385  3.680037       10.94405 
1 1 1 -18 -46 28 f 17.681  7.2447  47.285     49.570   82.103     115.774  39.470     54.852   20.496  9.5467  17.203  7.3675  3.292488       12.05896 
1 1 1 -18 -46 29 o 13.172  5.9698  -0.2428    41.166   -201.9766  99.977   40.942     45.173   12.919  6.5306  16.948  6.9268  -4.029556      9.519915 
1 1 1 -18 -46 30 o 8.6494  4.3336  -90.2050   38.871   17.544     95.670   -111.5099  42.541   17.780  8.4057  8.6524  4.3608  9.127705       9.469501 
1 1 1 -18 -46 31 o 11.741  5.6050  -32.4001   44.638   23.770     105.506  -44.6470   49.265   18.330  8.7129  11.800  5.6977  6.530557       10.41049 
1 1 1 -18 -46 32 o 16.759  7.1077  36.347     50.174   35.353     139.608  36.495     53.767   19.433  9.4339  16.939  7.2754  2.493225       11.91346 
1 1 1 -18 -46 33 o 21.299  8.2824  87.227     61.463   45.351     110.418  106.027    73.984   19.183  9.0572  22.373  8.9650  -3.189539      12.74376 
1 1 1 -18 -46 34 o 15.002  6.9629  -1.9406    60.722   -62.7293   139.454  12.281     67.452   17.413  8.6410  16.208  7.4568  1.204802       11.41358 
1 1 1 -18 -46 35 o 17.108  7.6128  32.046     63.618   -234.8332  145.844  94.759     70.699   15.194  7.7017  21.622  8.7285  -6.428380      11.64058 
1 1 1 -18 -46 36 o 26.145  9.2396  147.609    73.135   -87.4471   161.018  208.705    82.091   17.717  8.8685  30.834  9.7767  -13.11689      13.19976 
1 1 1 -18 -46 37 o 16.616  7.0967  34.077     50.648   207.349    116.317  -6.4610    56.261   26.333  10.972  14.393  6.6876  11.94063       12.84976 
1 1 1 -18 -46 38 o 21.850  7.8641  88.254     53.212   180.083    119.054  65.330     59.484   24.697  10.717  19.430  7.9458  5.266794       13.34112 
1 1 1 -18 -46 39 o 20.307  7.6919  73.413     52.062   162.707    112.823  49.256     58.684   24.170  10.460  18.134  7.6886  6.036911       12.98211 
1 1 1 -18 -46 40 o 19.518  7.6857  65.788     53.473   29.113     113.486  76.254     60.625   18.795  8.9626  20.383  8.1334  -1.587639      12.10289 
1 1 1 -18 -46 41 o 12.495  5.9384  -28.8885   48.968   -135.2407  103.605  1.7026     55.565   14.342  7.1691  14.800  6.7938  -0.4584656     9.876818 
1 1 1 -18 -46 42 o 10.110  5.0700  -117.0693  53.821   -107.0193  98.579   -121.3373  64.241   14.578  7.2394  11.252  5.6277  3.326054       9.169460 
1 1 1 -18 -46 43 o 18.318  7.5029  52.356     53.142   26.252     113.377  59.706     60.160   18.777  8.9551  19.044  7.9094  -0.2676678     11.94788 
1 1 1 -18 -46 44 f 20.904  7.8767  79.209     54.415   14.741     121.722  95.311     60.832   18.688  9.0071  22.236  8.3381  -3.548372      12.27402 
1 1 1 -18 -46 45 o 9.0786  4.5451  -95.2476   42.373   -282.9892  109.509  -62.1892   45.953   ?       ?       10.691  5.2384  0.000000       5.238381 
1 1 1 -18 -46 46 o 14.960  6.6861  12.230     49.649   5.9410     117.958  13.584     54.733   18.311  8.8357  15.464  6.9571  2.847699       11.24592 
1 1 1 -18 -46 47 o 18.535  8.4038  44.690     81.667   284.689    199.577  -3.5786    89.504   24.773  11.833  16.833  8.0081  7.939816       14.28817 
1 1 1 -18 -46 48 o 15.255  7.3044  -25.3181   77.026   0.0000     0.0000   -25.3181   77.026   ?       ?       15.255  7.3044  0.000000       7.304415 
1 1 1 -18 -46 49 o 24.077  9.5257  135.402    82.502   -91.2798   188.362  189.212    91.773   18.267  9.2029  27.421  10.249  -9.153343      13.77474 
1 1 1 -18 -46 50 o 16.860  8.3349  -55.4888   125.236  -55.4888   125.236  0.0000     0.0000   16.860  8.3349  ?       ?       0.000000       8.334907 
1 1 1 -18 -46 51 o 16.041  7.9958  -92.0481   124.976  -92.0481   124.976  0.0000     0.0000   16.041  7.9958  ?       ?       0.000000       7.995846 
1 1 1 -18 -46 52 o 14.452  7.3035  -183.6986  124.224  -183.6986  124.224  0.0000     0.0000   14.452  7.3035  ?       ?       0.000000       7.303542 
1 1 1 -18 -46 53 o 16.432  7.5760  23.390     70.144   2.4332     185.376  26.892     75.778   18.597  9.3378  16.832  7.8004  1.764492       12.16715 
1 1 1 -18 -45 8  o 11.413  5.5315  -43.2521   47.474   0.0000     0.0000   -43.2521   47.474   ?       ?       11.413  5.5315  0.000000       5.531484 
1 1 1 -18 -45 9  o 19.010  7.4193  64.491     49.458   0.0000     0.0000   64.491     49.458   ?       ?       19.010  7.4193  0.000000       7.419305 
1 1 1 -18 -45 10 o 13.578  6.1559  2.8329     43.813   0.0000     0.0000   2.8329     43.813   ?       ?       13.578  6.1559  0.000000       6.155873 
1 1 1 -18 -45 11 o 17.931  7.1386  51.206     46.601   0.0000     0.0000   51.206     46.601   ?       ?       17.931  7.1386  0.000000       7.138595 
1 1 1 -18 -45 12 o 13.420  5.9838  5.5916     39.524   -104.3796  96.369   27.830     43.336   14.429  7.1640  15.636  6.6171  -1.207345      9.752392 
1 1 1 -18 -45 13 o 10.807  5.1718  -33.6810   38.512   -23.8863   96.221   -35.5493   42.025   16.542  7.9813  11.247  5.3879  5.294288       9.629709 
1 1 1 -18 -45 14 o 19.232  7.0781  61.102     43.446   60.585     109.977  61.197     47.293   19.923  9.2881  19.191  7.3162  0.7323399      11.82355 
1 1 1 -18 -45 15 o 16.746  6.8821  37.573     44.899   113.565    104.762  20.473     49.694   22.254  9.8421  15.609  6.8453  6.645421       11.98857 
1 1 1 -18 -45 16 o 23.874  8.2738  108.150    58.476   97.344     118.739  111.610    67.188   21.456  9.8796  23.548  8.7760  -2.091021      13.21452 
1 1 1 -18 -45 17 o 31.408  8.4038  181.494    65.301   80.801     121.373  222.516    77.470   20.865  9.7375  33.612  9.2210  -12.74681      13.41067 
1 1 1 -18 -45 18 o 16.998  7.4920  30.641     60.197   -44.3855   109.968  62.743     71.932   16.789  8.1999  19.508  8.3976  -2.718946      11.73705 
1 1 1 -18 -45 19 o 14.719  6.6586  6.1170     50.938   -40.4611   101.884  21.639     58.816   16.463  8.0076  16.325  7.2879  0.1380329      10.82755 
1 1 1 -18 -45 20 o 27.436  8.1092  138.046    57.742   216.478    109.076  107.509    68.060   28.017  10.995  23.067  8.7809  4.949684       14.07071 
1 1 1 -18 -45 21 o 19.637  7.1380  64.362     43.990   -31.3885   106.811  83.920     48.274   16.954  8.2356  21.819  7.5201  -4.864981      11.15238 
1 1 1 -18 -45 22 o 13.975  6.2485  6.2082     43.409   115.825    108.957  -14.4735   47.327   22.269  9.9321  13.095  6.1009  9.174235       11.65621 
1 1 1 -18 -45 23 o 15.780  6.6814  27.582     44.218   140.801    104.745  3.0292     48.778   23.667  10.160  14.313  6.4913  9.354095       12.05625 
1 1 1 -18 -45 24 o 31.898  8.9445  197.393    72.026   180.563    116.848  207.706    91.470   25.238  10.779  29.603  10.343  -4.364746      14.93888 
1 1 1 -18 -45 25 o 21.428  8.8211  90.024     73.922   -135.4216  211.355  121.446    78.905   18.657  9.4369  23.655  9.3293  -4.997993      13.26997 
1 1 1 -18 -45 26 o 9.8600  4.9548  -122.9697  52.762   -333.1935  179.943  -103.1960  55.187   ?       ?       10.674  5.3193  0.000000       5.319309 
1 1 1 -18 -45 27 o 21.069  8.7839  84.863     74.609   215.454    208.674  65.722     79.890   23.569  11.463  19.832  8.6889  3.736902       14.38396 
1 1 1 -18 -45 28 o 21.580  8.9120  92.061     75.759   9.4020     181.781  109.435    83.342   19.988  9.9096  22.611  9.3432  -2.622698      13.61966 
1 1 1 -18 -45 29 o 18.434  7.2069  53.462     46.729   114.478    107.343  39.195     51.905   22.349  9.9194  17.254  7.2685  5.094685       12.29742 
1 1 1 -18 -45 30 o 12.087  5.6785  -21.6574   42.448   41.238     98.144   -36.1303   47.079   19.070  8.8515  11.977  5.7283  7.093184       10.54331 
1 1 1 -18 -45 31 o 12.480  5.8197  -16.6763   43.218   -230.2435  99.740   32.692     47.954   12.619  6.3936  16.509  6.9722  -3.889790      9.459888 
1 1 1 -18 -45 32 o 21.503  7.6222  81.419     49.808   -49.9814   107.238  117.562    56.242   16.571  8.0944  25.251  8.1015  -8.679779      11.45225 
1 1 1 -18 -45 33 o 13.557  6.2261  -6.0986    46.747   52.881     108.272  -19.6123   51.827   19.774  9.2178  13.377  6.2814  6.397101       11.15453 
1 1 1 -18 -45 34 o 15.721  6.7750  24.053     46.926   -31.0420   111.448  35.925     51.736   17.270  8.3943  16.990  7.2122  0.2800694      11.06709 
1 1 1 -18 -45 35 o 12.538  6.1186  -64.6705   60.882   28.113     125.019  -93.5147   69.706   19.349  9.2754  12.605  6.2289  6.743875       11.17279 
1 1 1 -18 -45 36 f 15.910  7.3497  3.8334     66.492   -172.9754  135.231  60.209     76.360   15.699  7.8944  19.494  8.5189  -3.794679      11.61433 
1 1 1 -18 -45 37 o 15.000  7.0092  -9.4319    63.209   119.449    136.939  -44.3260   71.254   22.236  10.366  14.275  6.8831  7.960515       12.44291 
1 1 1 -18 -45 38 o 25.848  7.8968  120.284    54.090   105.343    110.501  124.991    62.029   21.913  9.8696  25.448  8.5280  -3.534475      13.04359 
1 1 1 -18 -45 39 o 37.009  6.8237  218.136    59.018   327.981    118.076  181.554    68.141   35.218  11.766  30.956  8.7068  4.261251       14.63737 
1 1 1 -18 -45 40 o 12.361  5.8857  -32.1540   48.556   0.6097     98.513   -42.6679   55.806   17.606  8.3830  12.777  6.1437  4.828688       10.39330 
1 1 1 -18 -45 41 o 14.876  6.7067  7.5302     51.171   88.704     103.126  -18.9841   58.939   21.204  9.5438  14.156  6.6635  7.047610       11.63984 
1 1 1 -18 -45 42 o 20.458  8.5001  75.202     69.527   71.871     112.608  77.254     88.385   20.561  9.5213  20.611  9.0816  -0.5065536E-01 13.15796 
1 1 1 -18 -45 43 o 18.434  7.4747  52.229     52.097   0.0538     120.961  64.111     57.726   18.492  8.9290  19.574  7.8923  -1.082367      11.91698 
1 1 1 -18 -45 44 o 15.641  6.9402  16.956     52.514   20.125     119.898  16.203     58.414   19.032  9.1129  16.035  7.2031  2.997448       11.61596 
1 1 1 -18 -45 45 o 9.3112  4.6444  -89.0427   42.462   -225.2149  121.857  -70.2230   45.301   14.255  7.2065  10.359  5.1004  3.896174       8.828781 
1 1 1 -18 -45 46 o 24.605  8.0945  111.019    55.954   3.2847     125.197  137.909    62.548   18.791  9.0760  26.965  8.5323  -8.174282      12.45687 
1 1 1 -18 -45 47 o 15.299  6.7776  14.765     49.884   -197.8365  126.907  53.616     54.251   14.955  7.5365  18.653  7.6035  -3.697710      10.70569 
1 1 1 -18 -45 48 o 18.261  8.2103  37.654     76.078   -29.9581   180.875  52.187     83.857   19.513  9.7090  19.281  8.6480  0.2317715      13.00200 
1 1 1 -18 -45 49 o 21.058  10.352  65.076     184.215  65.076     184.215  0.0000     0.0000   21.058  10.352  ?       ?       0.000000       10.35214 
1 1 1 -18 -45 50 o ?       ?       -321.1119  147.184  -321.1119  147.184  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -18 -45 51 o 17.790  7.4415  45.624     53.797   156.162    109.010  10.034     61.854   24.249  10.386  15.821  7.2270  8.428068       12.65262 
1 1 1 -18 -45 52 f 15.656  6.9580  19.029     52.986   -0.0071    108.029  25.059     60.802   17.736  8.5330  16.553  7.3984  1.183044       11.29371 
1 1 1 -18 -45 53 o 26.157  7.7499  124.558    52.687   46.165     116.343  144.781    59.093   19.175  9.1247  27.647  8.2112  -8.472511      12.27537 
1 1 1 -18 -45 54 o 20.752  8.8521  91.083     78.617   47.302     198.703  99.209     85.602   19.812  9.9073  21.103  9.1223  -1.290903      13.46737 
1 1 1 -18 -44 6  o 26.698  8.7236  148.939    65.031   0.0000     0.0000   148.939    65.031   ?       ?       26.698  8.7236  0.000000       8.723596 
1 1 1 -18 -44 7  o 14.330  6.5403  3.6733     50.522   0.0000     0.0000   3.6733     50.522   ?       ?       14.330  6.5403  0.000000       6.540299 
1 1 1 -18 -44 8  o 20.189  8.0785  74.564     59.982   0.0000     0.0000   74.564     59.982   ?       ?       20.189  8.0785  0.000000       8.078496 
1 1 1 -18 -44 9  o 13.385  6.2453  -14.2631   49.885   0.0000     0.0000   -14.2631   49.885   ?       ?       13.385  6.2453  0.000000       6.245300 
1 1 1 -18 -44 10 o 17.110  7.1703  38.433     50.088   118.672    108.794  16.851     56.424   22.539  9.9959  15.902  7.1157  6.637391       12.26993 
1 1 1 -18 -44 11 o 10.713  5.1427  -37.4255   38.730   148.591    110.241  -63.6178   41.367   24.167  10.400  9.9995  4.9137  14.16794       11.50206 
1 1 1 -18 -44 12 o 15.605  6.4488  28.015     39.707   -151.6423  102.480  59.750     43.071   14.168  7.0894  19.250  7.0531  -5.082556      10.00025 
1 1 1 -18 -44 13 o 16.114  6.6837  30.777     42.879   101.732    97.392   13.716     47.757   22.131  9.6475  15.074  6.6569  7.057472       11.72127 
1 1 1 -18 -44 14 o 21.674  7.6750  81.878     50.488   -35.5288   111.052  112.467    56.685   17.298  8.4014  24.794  8.1467  -7.496140      11.70266 
1 1 1 -18 -44 15 o 16.745  7.2133  30.607     53.151   69.120     102.869  16.582     62.079   20.537  9.3575  16.391  7.3886  4.145807       11.92284 
1 1 1 -18 -44 16 o 20.933  8.2414  78.447     61.475   118.836    113.284  61.588     73.190   22.723  10.131  19.664  8.4678  3.058395       13.20418 
1 1 1 -18 -44 17 o 14.145  6.6342  -17.5651   57.519   160.479    107.741  -88.5355   68.023   25.056  10.509  12.619  6.2203  12.43690       12.21211 
1 1 1 -18 -44 18 o 22.488  8.0594  92.032     55.831   79.970     109.701  96.249     64.860   21.031  9.6138  22.458  8.5665  -1.427654      12.87669 
1 1 1 -18 -44 19 o 34.975  6.4927  189.754    53.071   290.607    113.978  161.836    59.968   33.444  11.553  30.278  8.0310  3.166189       14.07051 
1 1 1 -18 -44 20 o 11.444  5.3974  -24.9497   39.024   -46.4866   94.319   -20.5015   42.865   16.038  7.7785  12.260  5.7427  3.777607       9.668736 
1 1 1 -18 -44 21 o 13.607  6.0617  4.4148     40.459   -109.0806  103.604  24.837     43.949   15.109  7.4892  15.644  6.6445  -0.5347137     10.01182 
1 1 1 -18 -44 22 o 15.924  6.6985  27.816     43.977   236.832    102.233  -19.6429   48.715   31.115  10.931  13.082  6.1258  18.03385       12.53047 
1 1 1 -18 -44 23 o 14.089  6.2078  9.1320     41.298   -10.5812   100.747  13.114     45.277   17.545  8.3880  14.814  6.5144  2.731299       10.62060 
1 1 1 -18 -44 24 f 33.603  6.7444  177.688    53.080   211.900    115.942  168.616    59.704   27.836  11.199  31.282  7.8721  -3.445658      13.68856 
1 1 1 -18 -44 25 f 26.218  7.5661  117.663    50.803   231.703    115.326  90.204     56.590   29.259  11.354  22.379  8.1019  6.880072       13.94845 
1 1 1 -18 -44 26 f 28.257  9.0183  155.622    69.761   198.199    119.284  133.490    86.002   26.875  11.147  24.725  9.7436  2.150219       14.80550 
1 1 1 -18 -44 27 o 31.993  10.001  215.557    86.200   283.207    184.985  196.792    97.424   26.837  12.348  28.758  10.597  -1.920664      16.27133 
1 1 1 -18 -44 28 o 23.879  9.1439  114.316    74.078   217.021    164.344  88.128     82.987   25.599  11.726  21.668  9.1627  3.930502       14.88140 
1 1 1 -18 -44 29 o 21.681  8.7772  86.588     71.711   107.668    159.451  81.244     80.290   22.448  10.682  21.242  8.9992  1.206318       13.96778 
1 1 1 -18 -44 30 o 14.572  6.4912  7.5050     46.389   25.727     150.146  5.5822     48.775   20.333  9.8502  14.683  6.5898  5.650210       11.85125 
1 1 1 -18 -44 31 o 9.3115  4.6152  -74.7508   39.328   -123.7017  93.840   -64.3210   43.316   14.197  7.0522  10.334  5.0677  3.863016       8.684234 
1 1 1 -18 -44 32 o 13.391  6.1227  -6.6573    44.523   -6.9887    104.053  -6.5830    49.260   17.966  8.5712  13.959  6.4036  4.006880       10.69912 
1 1 1 -18 -44 33 o 13.605  6.1981  -4.4817    45.106   -80.2945   107.339  11.777     49.708   16.130  7.9240  15.206  6.7497  0.9240608      10.40904 
1 1 1 -18 -44 34 o 19.234  7.4041  58.439     48.736   -105.7034  113.143  95.832     54.002   15.918  7.8786  23.250  7.9563  -7.332272      11.19707 
1 1 1 -18 -44 35 o 52.858  5.2699  397.444    66.688   496.999    132.709  363.812    77.134   47.012  11.685  48.432  6.7469  -1.419983      13.49270 
1 1 1 -18 -44 36 o 31.379  9.4866  196.387    78.360   184.356    166.087  199.832    88.873   24.517  11.425  30.128  10.207  -5.610924      15.32034 
1 1 1 -18 -44 37 o 19.188  8.2746  52.831     70.095   327.991    156.563  -16.1509   78.391   30.614  12.741  16.095  7.6089  14.51883       14.83973 
1 1 1 -18 -44 38 o 27.985  9.7387  166.732    81.056   355.665    167.969  109.380    92.544   30.695  13.011  22.838  9.6676  7.857264       16.20938 
1 1 1 -18 -44 39 o 18.625  7.5566  52.006     53.277   107.580    110.305  35.097     60.845   22.470  10.010  17.587  7.6464  4.883059       12.59595 
1 1 1 -18 -44 40 o 13.582  6.2626  -9.6836    47.945   71.485     102.531  -32.3996   54.241   20.787  9.4212  13.142  6.2469  7.644928       11.30407 
1 1 1 -18 -44 41 o 18.340  7.3965  49.787     50.717   -26.1342   116.107  67.689     56.381   17.859  8.6542  20.100  7.8992  -2.241631      11.71723 
1 1 1 -18 -44 42 o 15.886  7.0040  18.646     52.647   -9.6901    112.256  26.635     59.609   18.138  8.7194  16.922  7.4570  1.215567       11.47324 
1 1 1 -18 -44 43 o 22.723  8.0432  92.913     55.443   85.438     129.860  94.580     61.312   21.539  10.059  22.586  8.3902  -1.046705      13.09862 
1 1 1 -18 -44 44 o 14.064  6.5785  -16.9802   55.914   -216.6191  156.711  12.141     59.853   16.340  8.2514  16.029  7.2374  0.3106651      10.97568 
1 1 1 -18 -44 45 o 29.034  8.3017  152.215    61.422   291.614    173.984  132.368    65.649   27.542  12.396  26.205  8.7734  1.336586       15.18688 
1 1 1 -18 -44 46 o 14.454  6.5844  -0.7870    50.892   42.264     122.121  -9.8349    55.985   20.067  9.4899  14.455  6.7008  5.612412       11.61716 
1 1 1 -18 -44 47 o 13.330  6.4135  -46.5978   61.043   -219.0293  119.834  13.824     70.936   14.355  7.2453  16.932  7.7365  -2.576265      10.59939 
1 1 1 -18 -44 48 o 32.871  12.494  325.843    137.652  325.843    137.652  0.0000     0.0000   32.871  12.494  ?       ?       0.000000       12.49376 
1 1 1 -18 -44 49 o 25.687  11.518  203.477    148.609  203.477    148.609  0.0000     0.0000   25.687  11.518  ?       ?       0.000000       11.51758 
1 1 1 -18 -44 50 o 19.886  8.5383  62.176     74.011   67.124     133.494  59.981     88.931   21.074  9.9527  20.058  8.9575  1.016493       13.38997 
1 1 1 -18 -44 51 o 18.369  7.9206  44.581     64.211   26.977     133.745  49.854     73.199   19.844  9.5341  19.024  8.3264  0.8203812      12.65812 
1 1 1 -18 -44 52 o 13.806  6.3645  -8.1363    49.486   -73.8165   110.465  8.3538     55.350   16.306  8.0160  15.379  6.9504  0.9269781      10.60962 
1 1 1 -18 -44 53 o 21.600  7.7977  83.118     52.366   -13.4475   116.133  107.763    58.669   17.971  8.6952  23.920  8.2876  -5.948643      12.01217 
1 1 1 -18 -44 54 o 22.824  8.8568  106.479    70.171   45.840     116.944  140.594    87.717   19.549  9.2572  24.486  9.7794  -4.937363      13.46597 
1 1 1 -18 -44 55 o 20.326  8.7912  79.059     79.593   427.836    202.156  15.075     86.586   28.075  12.914  17.315  8.1271  10.75948       15.25814 
1 1 1 -18 -43 4  f 14.600  6.3979  16.790     43.336   0.0000     0.0000   16.790     43.336   ?       ?       14.600  6.3979  0.000000       6.397881 
1 1 1 -18 -43 5  o 27.586  7.5109  132.937    51.627   0.0000     0.0000   132.937    51.627   ?       ?       27.586  7.5109  0.000000       7.510853 
1 1 1 -18 -43 6  o 12.022  5.6202  -18.4006   40.719   0.0000     0.0000   -18.4006   40.719   ?       ?       12.022  5.6202  0.000000       5.620239 
1 1 1 -18 -43 7  o 19.559  7.4102  63.049     48.326   0.0000     0.0000   63.049     48.326   ?       ?       19.559  7.4102  0.000000       7.410217 
1 1 1 -18 -43 8  o 22.417  8.3945  93.154     61.617   0.0000     0.0000   93.154     61.617   ?       ?       22.417  8.3945  0.000000       8.394455 
1 1 1 -18 -43 9  o 11.979  5.7013  -33.5516   45.463   71.512     104.013  -58.3637   50.547   20.879  9.4732  11.600  5.6419  9.278622       11.02597 
1 1 1 -18 -43 10 o 16.391  6.9689  28.418     48.437   -75.4177   106.078  55.770     54.444   16.179  7.9338  19.068  7.6729  -2.888195      11.03713 
1 1 1 -18 -43 11 o 38.333  7.4468  238.985    66.767   204.591    131.264  250.989    77.549   26.728  11.421  37.488  8.6943  -10.75923      14.35347 
1 1 1 -18 -43 12 o 18.265  7.7243  44.469     58.983   19.909     113.659  53.522     69.002   19.244  9.1169  19.267  8.2577  -0.2266312E-01 12.30069 
1 1 1 -18 -43 13 o 15.159  6.6105  16.074     45.762   -58.4629   101.813  34.944     51.228   16.335  7.9586  17.107  7.2146  -0.7725372     10.74197 
1 1 1 -18 -43 14 o 28.271  7.9409  139.359    56.719   178.690    114.685  126.624    65.258   26.182  10.901  25.742  8.7466  0.4402275      13.97621 
1 1 1 -18 -43 15 o 16.378  7.2368  20.663     56.516   -59.8201   104.135  54.266     67.287   16.434  8.0162  19.240  8.1978  -2.806137      11.46577 
1 1 1 -18 -43 16 o 40.027  7.2539  257.296    67.858   251.400    126.222  259.692    80.478   29.638  11.764  37.731  8.9294  -8.093012      14.76942 
1 1 1 -18 -43 17 o 16.067  6.8890  24.802     48.061   -206.8373  106.328  84.280     53.879   13.640  6.8771  21.964  7.9124  -8.323604      10.48332 
1 1 1 -18 -43 18 o 19.176  7.1350  57.757     44.375   -15.1351   104.356  73.847     49.028   17.761  8.5035  20.980  7.5489  -3.219185      11.37076 
1 1 1 -18 -43 19 o 17.041  6.8485  38.458     43.313   12.879     100.255  44.328     48.027   18.541  8.7158  17.840  7.1968  0.7000637      11.30307 
1 1 1 -18 -43 20 o 11.155  5.2845  -29.0226   38.178   52.462     93.520   -45.3185   41.822   19.991  9.0347  10.915  5.2655  9.076000       10.45714 
1 1 1 -18 -43 21 o 13.490  6.0482  0.4139     40.976   -95.6240   100.455  19.582     44.879   15.422  7.5937  15.435  6.6387  -0.1286697E-01 10.08644 
1 1 1 -18 -43 22 o 21.607  7.4197  77.420     46.974   141.266    108.527  62.702     52.108   24.720  10.467  19.845  7.6513  4.874943       12.96541 
1 1 1 -18 -43 23 o 25.195  7.5372  106.537    49.657   -17.2770   109.712  138.436    55.687   18.150  8.6974  28.575  7.8092  -10.42511      11.68880 
1 1 1 -18 -43 24 o 11.397  5.4224  -33.7394   41.046   -53.9575   99.355   -29.5787   45.072   16.516  8.0040  12.218  5.7740  4.297928       9.869323 
1 1 1 -18 -43 25 o 36.858  6.3391  203.756    54.647   190.929    119.492  207.148    61.450   27.333  11.229  36.103  7.2663  -8.770065      13.37521 
1 1 1 -18 -43 26 f 23.098  7.5699  89.141     48.954   88.358     105.465  89.356     55.269   22.226  9.8502  22.774  8.0338  -0.5477066     12.71098 
1 1 1 -18 -43 27 o 10.950  5.2656  -43.0264   41.003   -15.8010   96.584   -49.0117   45.286   17.625  8.3655  11.344  5.4739  6.280983       9.997259 
1 1 1 -18 -43 28 o 21.349  8.6440  76.487     69.561   121.049    152.936  64.864     78.108   23.660  11.004  20.623  8.8108  3.036987       14.09708 
1 1 1 -18 -43 29 o 14.244  6.7531  -33.4362   62.601   126.130    144.793  -70.1205   69.425   23.893  10.967  13.589  6.6097  10.30466       12.80525 
1 1 1 -18 -43 30 o 28.008  9.6616  156.618    79.692   -86.1423   158.792  238.347    92.136   18.908  9.3541  34.261  10.271  -15.35265      13.89205 
1 1 1 -18 -43 31 o 29.933  9.7698  178.508    81.572   409.874    165.407  104.156    93.767   35.788  13.673  23.234  9.7776  12.55421       16.80943 
1 1 1 -18 -43 32 o 23.962  7.6827  96.334     50.584   223.868    106.774  59.427     57.438   30.945  11.140  19.785  7.9094  11.16012       13.66191 
1 1 1 -18 -43 33 o 15.987  6.8461  22.021     47.352   20.206     106.303  22.471     52.890   19.435  9.0844  16.482  7.1475  2.953150       11.55914 
1 1 1 -18 -43 34 o 21.544  7.6369  76.478     50.001   119.846    104.333  63.548     56.969   23.974  10.211  20.137  7.9318  3.837732       12.93000 
1 1 1 -18 -43 35 o 23.198  7.7122  90.650     50.744   53.900     105.768  101.639    57.835   20.704  9.4549  24.044  8.2338  -3.340130      12.53760 
1 1 1 -18 -43 36 o 20.076  7.5185  63.804     49.429   74.753     106.137  60.771     55.856   21.593  9.7041  19.823  7.8393  1.770880       12.47496 
1 1 1 -18 -43 37 o 17.928  8.0265  25.877     71.880   119.854    152.949  -0.7624    81.434   23.465  10.944  17.212  8.0136  6.252684       13.56433 
1 1 1 -18 -43 38 o 25.291  9.4904  128.459    78.834   242.146    164.393  94.506     89.838   27.358  12.201  22.462  9.5178  4.896357       15.47431 
1 1 1 -18 -43 39 o 21.088  8.8529  74.490     76.570   324.540    163.172  3.8803     86.709   30.855  12.937  17.683  8.2450  13.17193       15.34086 
1 1 1 -18 -43 40 o 15.246  7.1121  -13.7714   64.639   -206.9086  110.093  87.833     79.852   14.023  7.0607  21.987  9.1204  -7.964721      11.53410 
1 1 1 -18 -43 41 o ?       ?       -166.4260  39.750   -226.3302  102.868  -155.9111  43.098   13.160  6.6499  ?       ?       0.000000       6.649878 
1 1 1 -18 -43 42 o 18.584  7.6592  48.617     55.811   175.650    119.980  13.539     63.048   26.103  11.026  16.521  7.4468  9.581205       13.30554 
1 1 1 -18 -43 43 o 22.774  8.1015  91.553     56.318   -195.7142  121.080  170.858    63.618   14.904  7.4917  31.231  8.2661  -16.32632      11.15590 
1 1 1 -18 -43 44 o 14.063  6.4470  -6.8038    49.820   -230.4078  117.502  42.204     55.009   14.142  7.1418  17.990  7.5250  -3.848575      10.37450 
1 1 1 -18 -43 45 o 36.004  7.5504  212.148    63.854   310.378    134.494  183.563    72.552   32.797  12.377  31.204  9.0523  1.593344       15.33445 
1 1 1 -18 -43 46 o 14.745  7.2639  -97.8305   92.321   -97.8305   92.321   0.0000     0.0000   14.745  7.2639  ?       ?       0.000000       7.263879 
1 1 1 -18 -43 47 o 13.033  6.5263  -157.7551  87.605   -157.7551  87.605   0.0000     0.0000   13.033  6.5263  ?       ?       0.000000       6.526346 
1 1 1 -18 -43 48 o 30.031  11.647  242.781    121.303  242.781    121.303  0.0000     0.0000   30.031  11.647  ?       ?       0.000000       11.64729 
1 1 1 -18 -43 49 o 14.947  6.7489  3.1617     52.046   -10.1331   107.510  7.2312     59.481   18.218  8.6974  15.883  7.1892  2.335000       11.28404 
1 1 1 -18 -43 50 o 27.911  9.3495  153.853    74.555   231.772    145.629  126.178    86.791   27.643  11.924  24.572  9.7547  3.071327       15.40560 
1 1 1 -18 -43 51 o 17.910  7.8996  31.969     67.042   2.0317     141.279  40.669     76.163   19.820  9.5900  18.866  8.3655  0.9536877      12.72599 
1 1 1 -18 -43 52 o 14.099  6.3327  1.9895     45.134   15.610     104.402  -1.1412    50.053   18.878  8.8808  14.439  6.5591  4.439038       11.04039 
1 1 1 -18 -43 53 o 21.249  7.8425  77.316     53.397   97.750     115.394  71.749     60.234   22.223  10.040  20.601  8.1428  1.621756       12.92719 
1 1 1 -18 -43 54 o 21.241  7.8320  78.155     53.230   41.750     115.883  87.890     59.926   19.919  9.3661  22.022  8.2723  -2.103018      12.49617 
1 1 1 -18 -43 55 o 14.000  6.8240  -65.0907   75.067   140.296    187.836  -104.1280  81.891   22.708  11.005  13.538  6.7008  9.170079       12.88443 
1 1 1 -18 -43 56 o 34.284  10.622  270.686    97.478   373.879    222.026  246.046    108.493  26.345  12.555  30.276  11.178  -3.931307      16.81020 
1 1 1 -18 -42 3  o 21.068  7.4513  77.084     47.574   0.0000     0.0000   77.084     47.574   ?       ?       21.068  7.4513  0.000000       7.451272 
1 1 1 -18 -42 4  o 14.191  6.3031  7.6784     43.416   0.0000     0.0000   7.6784     43.416   ?       ?       14.191  6.3031  0.000000       6.303054 
1 1 1 -18 -42 5  o 25.287  7.6732  110.384    51.197   0.0000     0.0000   110.384    51.197   ?       ?       25.287  7.6732  0.000000       7.673225 
1 1 1 -18 -42 6  o 12.169  5.6806  -19.8864   41.346   0.0000     0.0000   -19.8864   41.346   ?       ?       12.169  5.6806  0.000000       5.680598 
1 1 1 -18 -42 7  o 14.719  6.4859  10.211     45.087   0.0000     0.0000   10.211     45.087   ?       ?       14.719  6.4859  0.000000       6.485887 
1 1 1 -18 -42 8  o 17.455  6.8752  41.793     42.802   -14.0087   103.737  53.242     46.989   17.946  8.5608  18.820  7.2631  -0.8741570     11.22674 
1 1 1 -18 -42 9  o 26.702  7.3408  117.187    49.037   11.556     111.200  142.687    54.636   19.138  9.0520  29.283  7.6173  -10.14541      11.83052 
1 1 1 -18 -42 10 o 25.267  8.2970  114.440    58.799   143.045    103.321  100.739    71.507   25.065  10.384  23.138  8.9513  1.927139       13.70950 
1 1 1 -18 -42 11 o 18.544  7.9355  43.717     63.547   83.378     114.689  26.146     76.336   21.854  9.9279  18.095  8.1716  3.759014       12.85833 
1 1 1 -18 -42 12 f 37.678  9.2739  262.679    84.212   159.104    136.282  326.655    107.107  24.824  11.087  39.164  10.881  -14.33938      15.53468 
1 1 1 -18 -42 13 o 16.048  7.4804  -8.5161    71.288   -103.3764  112.241  55.624     92.294   16.070  7.9342  20.217  9.0700  -4.147284      12.05062 
1 1 1 -18 -42 14 o 12.306  5.9484  -54.0740   54.036   -19.3354   106.095  -66.2417   62.791   17.894  8.5691  12.914  6.2827  4.979733       10.62554 
1 1 1 -18 -42 15 o 16.097  7.1346  15.587     55.341   -51.6024   103.698  42.344     65.439   16.838  8.1644  18.565  8.0005  -1.726460      11.43088 
1 1 1 -18 -42 16 o 27.575  8.3774  135.451    60.998   171.832    114.657  121.089    72.038   26.424  10.942  25.043  9.1297  1.380150       14.25059 
1 1 1 -18 -42 17 o 11.284  5.3450  -30.1428   39.032   42.124     93.217   -45.5066   42.981   19.754  8.9649  11.141  5.3653  8.613771       10.44778 
1 1 1 -18 -42 18 o 18.427  6.9150  49.834     41.855   72.013     98.846   44.989     46.201   21.409  9.5098  18.031  7.1301  3.377956       11.88592 
1 1 1 -18 -42 19 o 20.615  7.1750  67.275     43.997   -63.1256   100.890  97.899     48.891   16.498  8.0117  24.322  7.5206  -7.823706      10.98849 
1 1 1 -18 -42 20 o 35.897  6.2583  191.033    52.528   226.505    112.683  181.185    59.374   30.727  11.382  33.634  7.4697  -2.906944      13.61447 
1 1 1 -18 -42 21 o 20.911  7.3810  69.404     46.658   139.036    102.059  51.005     52.461   25.504  10.416  18.981  7.5685  6.522932       12.87552 
1 1 1 -18 -42 22 o 12.145  5.6684  -22.2862   41.142   -100.8529  116.725  -11.1406   43.964   16.748  8.2345  13.249  6.0676  3.498146       10.22855 
1 1 1 -18 -42 23 o 12.524  5.7932  -17.2566   41.508   -17.4566   100.904  -17.2159   45.540   18.108  8.5818  13.107  6.0643  5.001119       10.50824 
1 1 1 -18 -42 24 o 17.232  6.9340  36.169     44.461   -73.4756   104.869  60.197     49.092   16.712  8.1276  19.955  7.4889  -3.243303      11.05176 
1 1 1 -18 -42 25 o 35.475  6.4190  186.343    53.220   224.347    111.974  175.253    60.488   31.310  11.387  33.052  7.6875  -1.741926      13.73923 
1 1 1 -18 -42 26 o 50.871  5.1492  356.939    62.683   589.308    120.673  271.070    73.356   59.748  8.5692  41.613  7.5430  18.13518       11.41613 
1 1 1 -18 -42 27 o 28.388  8.5328  139.031    63.530   162.113    160.918  134.769    69.147   25.961  11.781  27.381  8.9978  -1.419744      14.82369 
1 1 1 -18 -42 28 o 26.684  7.5064  114.305    50.643   272.030    103.121  64.174     58.137   36.708  10.833  20.599  8.0427  16.10887       13.49250 
1 1 1 -18 -42 29 o 38.335  9.2072  256.695    84.567   327.899    167.154  232.200    98.039   32.914  13.374  33.827  10.680  -0.9135857     17.11470 
1 1 1 -18 -42 30 o 41.746  8.9074  295.614    87.476   172.105    169.805  340.232    102.060  26.293  11.997  43.306  9.9251  -17.01368      15.57006 
1 1 1 -18 -42 31 o 46.150  8.5999  352.326    92.758   488.237    175.344  299.513    109.304  41.156  14.324  38.243  11.116  2.913452       18.13086 
1 1 1 -18 -42 32 o 25.055  9.2131  113.746    73.586   34.080     144.572  141.603    85.489   21.769  10.304  26.947  9.9270  -5.177517      14.30793 
1 1 1 -18 -42 33 o 41.669  5.9369  248.925    58.328   335.366    116.617  220.085    67.359   40.070  11.433  37.261  7.7047  2.808849       13.78646 
1 1 1 -18 -42 34 o 26.086  7.6473  110.599    51.537   86.133     105.974  118.178    58.982   22.856  10.011  26.365  8.2782  -3.509060      12.99004 
1 1 1 -18 -42 35 o 19.395  7.6624  53.269     53.312   166.066    142.599  34.942     57.480   26.340  11.573  18.011  7.6215  8.328989       13.85702 
1 1 1 -18 -42 36 o 16.839  7.1426  26.684     50.679   113.602    139.788  13.531     54.379   24.155  10.968  16.163  7.1224  7.992876       13.07798 
1 1 1 -18 -42 37 o 14.284  6.5079  -7.0950    49.738   49.048     105.733  -23.0488   56.363   20.953  9.5237  14.174  6.6219  6.778330       11.59961 
1 1 1 -18 -42 38 o 20.383  8.6348  58.455     73.913   108.209    145.426  41.127     85.825   23.798  10.949  19.787  8.8209  4.010874       14.06004 
1 1 1 -18 -42 39 o 17.715  7.9870  16.842     72.579   35.043     145.155  10.775     83.808   21.430  10.196  18.135  8.3316  3.294933       13.16719 
1 1 1 -18 -42 40 o 37.666  9.6624  263.299    88.738   271.056    172.271  260.498    103.530  28.969  12.724  34.866  10.971  -5.896826      16.80054 
1 1 1 -18 -42 41 o 20.673  7.9639  68.105     56.415   87.221     123.192  63.033     63.461   22.594  10.274  20.305  8.2441  2.289190       13.17254 
1 1 1 -18 -42 42 o 24.929  8.1728  107.940    57.061   186.749    121.996  85.871     64.557   27.327  11.299  22.270  8.5341  5.056618       14.15974 
1 1 1 -18 -42 43 o 28.098  8.2606  137.420    60.059   198.383    125.495  119.309    68.401   27.691  11.456  25.296  8.9360  2.395163       14.52870 
1 1 1 -18 -42 44 o 24.638  7.9049  103.876    53.546   198.980    104.568  70.075     62.339   29.178  10.934  20.772  8.2606  8.406225       13.70348 
1 1 1 -18 -42 45 o 21.489  9.6382  72.669     104.146  72.669     104.146  0.0000     0.0000   21.489  9.6382  ?       ?       0.000000       9.638174 
1 1 1 -18 -42 46 o 18.100  8.6543  -18.6452   107.299  -18.6452   107.299  0.0000     0.0000   18.100  8.6543  ?       ?       0.000000       8.654333 
1 1 1 -18 -42 47 o 15.881  7.3768  -8.7751    68.361   101.715    165.946  -31.3581   75.023   23.002  10.932  15.480  7.3551  7.521626       13.17572 
1 1 1 -18 -42 48 o 32.815  7.5976  175.916    59.301   186.332    116.611  172.283    68.871   27.309  11.142  30.860  8.7792  -3.551006      14.18483 
1 1 1 -18 -42 49 o 32.158  7.2812  165.385    55.494   146.906    114.611  171.044    63.424   25.168  10.711  31.577  8.2037  -6.408585      13.49147 
1 1 1 -18 -42 50 o 19.008  7.9765  48.773     62.115   99.357     112.779  26.747     74.419   22.840  10.151  18.178  8.1505  4.662342       13.01832 
1 1 1 -18 -42 51 o 17.566  7.6847  28.280     62.285   -31.8937   130.526  46.022     70.875   18.895  9.1611  19.189  8.2977  -0.2945404     12.36034 
1 1 1 -18 -42 52 o 28.731  9.3305  158.693    74.437   36.648     146.441  201.212    86.436   21.146  10.111  31.474  10.038  -10.32721      14.24718 
1 1 1 -18 -42 53 o 12.814  6.0112  -24.5480   47.262   35.542     112.280  -37.4875   52.102   20.144  9.3891  12.808  6.0979  7.336516       11.19555 
1 1 1 -18 -42 54 o 16.727  7.1524  27.992     51.551   -46.1149   125.145  43.137     56.574   18.152  8.8396  18.240  7.6306  -0.8781433E-01 11.67749 
1 1 1 -18 -42 55 o 21.955  8.0092  83.612     55.454   332.584    131.559  29.819     61.152   34.876  12.385  17.411  7.6158  17.46421       14.53921 
1 1 1 -18 -42 56 o 23.351  10.089  121.179    104.605  0.0000     0.0000   121.179    104.605  ?       ?       23.351  10.089  0.000000       10.08900 
1 1 1 -18 -42 57 o 18.175  8.5465  15.356     96.523   0.0000     0.0000   15.356     96.523   ?       ?       18.175  8.5465  0.000000       8.546468 
1 1 1 -18 -41 1  o 16.298  7.6893  -9.2420    79.324   0.0000     0.0000   -9.2420    79.324   ?       ?       16.298  7.6893  0.000000       7.689276 
1 1 1 -18 -41 2  o 24.463  10.025  134.625    94.929   0.0000     0.0000   134.625    94.929   ?       ?       24.463  10.025  0.000000       10.02465 
1 1 1 -18 -41 3  o 16.860  7.9456  -10.9680   84.267   0.0000     0.0000   -10.9680   84.267   ?       ?       16.860  7.9456  0.000000       7.945619 
1 1 1 -18 -41 4  o 32.716  7.1032  169.466    54.771   0.0000     0.0000   169.466    54.771   ?       ?       32.716  7.1032  0.000000       7.103224 
1 1 1 -18 -41 5  o 8.9419  4.4496  -80.6890   38.020   0.0000     0.0000   -80.6890   38.020   ?       ?       8.9419  4.4496  0.000000       4.449625 
1 1 1 -18 -41 6  o 11.365  5.4058  -34.1465   40.742   0.0000     0.0000   -34.1465   40.742   ?       ?       11.365  5.4058  0.000000       5.405846 
1 1 1 -18 -41 7  o 21.201  7.2269  72.011     44.553   -89.9443   95.597   116.949    50.356   15.392  7.5443  26.688  7.4773  -11.29667      10.62193 
1 1 1 -18 -41 8  o 18.248  7.2210  46.507     47.417   -65.7256   92.512   86.497     55.222   15.795  7.6708  22.521  8.0212  -6.725384      11.09869 
1 1 1 -18 -41 9  o 16.132  6.8907  23.451     47.754   80.571     98.412   5.8588     54.615   21.850  9.6066  15.475  6.9571  6.375175       11.86114 
1 1 1 -18 -41 10 o 17.625  7.2082  39.474     48.958   3.9408     97.641   51.408     56.584   18.415  8.6389  19.029  7.7621  -0.6144238     11.61383 
1 1 1 -18 -41 11 o 24.223  9.1269  111.030    73.057   57.392     101.887  167.792    104.812  20.801  9.4128  26.964  10.715  -6.163033      14.26217 
1 1 1 -18 -41 12 o 19.028  8.3144  41.998     72.718   62.203     109.968  26.297     96.937   21.234  9.6751  19.307  8.9032  1.926437       13.14814 
1 1 1 -18 -41 13 o 39.256  9.3870  280.291    88.205   405.553    140.247  198.321    113.452  39.960  12.790  28.579  11.214  11.38051       17.01000 
1 1 1 -18 -41 14 o 21.892  9.0676  81.178     78.766   127.097    118.939  45.309     105.120  24.379  10.643  20.521  9.3919  3.858206       14.19473 
1 1 1 -18 -41 15 o 14.158  6.5307  -13.2030   52.214   -33.1429   113.328  -7.8297    58.830   18.229  8.7627  15.186  6.9781  3.042974       11.20169 
1 1 1 -18 -41 16 o 30.113  6.9360  140.332    49.634   213.411    125.401  126.757    54.047   29.163  11.677  27.749  7.7366  1.413557       14.00708 
1 1 1 -18 -41 17 o 21.329  7.2609  71.480     44.972   284.126    99.325   16.644     50.438   38.185  10.427  16.007  6.9608  22.17758       12.53676 
1 1 1 -18 -41 18 o 13.981  6.1283  5.6315     39.781   30.253     95.290   0.4347     43.778   19.828  9.0236  14.092  6.2895  5.736342       10.99922 
1 1 1 -18 -41 19 o 12.666  5.7869  -11.8031   39.676   13.355     97.167   -16.8370   43.464   19.267  8.8949  12.903  5.9540  6.364498       10.70373 
1 1 1 -18 -41 20 o 15.414  6.5466  17.618     42.662   23.269     98.703   16.319     47.309   19.842  9.0883  15.788  6.8033  4.053276       11.35264 
1 1 1 -18 -41 21 o 39.965  5.7607  225.839    54.249   181.056    113.212  239.186    61.806   28.722  11.221  40.367  6.5334  -11.64476      12.98435 
1 1 1 -18 -41 22 o 17.604  6.9763  38.017     44.320   146.060    102.111  12.939     49.195   26.935  10.616  15.773  6.8668  11.16128       12.64331 
1 1 1 -18 -41 23 o 13.893  6.1953  -1.2703    42.370   6.9697     100.383  -3.0566    46.738   19.437  8.9969  14.342  6.4428  5.095048       11.06587 
1 1 1 -18 -41 24 o 14.092  6.2193  2.4326     41.617   129.109    93.768   -28.6430   46.442   26.139  10.212  12.740  5.9707  13.39948       11.82928 
1 1 1 -18 -41 25 o 20.714  7.4196  64.015     47.313   143.178    99.007   40.586     53.862   27.083  10.517  18.536  7.5683  8.546589       12.95739 
1 1 1 -18 -41 26 o 19.333  7.3790  51.502     48.143   13.250     135.116  57.064     51.525   21.421  10.085  20.040  7.6374  1.380367       12.65044 
1 1 1 -18 -41 27 o 42.081  5.6556  246.927    56.285   295.160    111.633  230.486    65.176   38.611  11.237  39.244  7.1063  -0.6327400     13.29523 
1 1 1 -18 -41 28 o 29.509  7.2359  133.304    51.412   124.709    102.760  136.174    59.378   25.842  10.491  29.010  8.1166  -3.167589      13.26440 
1 1 1 -18 -41 29 o 13.951  6.2558  -4.0064    43.847   -89.0718   93.963   19.674     49.576   15.830  7.6977  16.453  7.0240  -0.6222343     10.42074 
1 1 1 -18 -41 30 o 20.944  8.2830  62.611     62.360   142.596    100.415  12.398     79.562   27.146  10.578  18.509  8.3519  8.636820       13.47763 
1 1 1 -18 -41 31 f 34.591  9.4340  208.371    81.370   324.914    159.573  167.419    94.592   35.069  13.422  29.353  10.493  5.715353       17.03738 
1 1 1 -18 -41 32 o 23.680  9.0255  92.373     71.961   99.806     140.173  89.712     83.855   24.650  11.108  23.486  9.4972  1.163214       14.61434 
1 1 1 -18 -41 33 o 18.618  8.0972  28.563     68.273   133.312    136.460  -6.4117    78.851   26.013  11.377  17.498  8.0545  8.515018       13.93989 
1 1 1 -18 -41 34 f 18.122  7.2781  39.360     48.882   -13.1702   99.632   56.014     56.098   18.711  8.7615  20.081  7.8833  -1.370150      11.78600 
1 1 1 -18 -41 35 o 11.960  5.6789  -38.1995   44.585   48.605     97.307   -61.2657   50.160   21.245  9.4362  11.770  5.6996  9.475463       11.02398 
1 1 1 -18 -41 36 o 15.774  6.9053  10.750     50.364   16.125     110.170  9.3301     56.627   20.345  9.4201  16.315  7.2248  4.029722       11.87167 
1 1 1 -18 -41 37 o 11.123  5.4219  -66.5438   47.406   -92.0952   108.064  -60.4550   52.753   16.762  8.1739  12.155  5.8759  4.607059       10.06670 
1 1 1 -18 -41 38 o 34.833  7.1755  185.027    58.629   158.647    123.335  192.728    66.639   27.051  11.287  34.576  8.0872  -7.524990      13.88543 
1 1 1 -18 -41 39 o 21.283  8.9234  64.810     77.629   249.969    163.270  10.724     88.242   29.935  12.763  18.757  8.5922  11.17763       15.38535 
1 1 1 -18 -41 40 o 19.606  8.5306  41.276     75.838   -1.6781    150.829  55.809     87.734   21.127  10.144  20.968  9.1482  0.1586189      13.65955 
1 1 1 -18 -41 41 o 14.495  6.9688  -57.1194   71.725   -103.2231  145.684  -42.3688   82.404   18.560  9.1398  16.046  7.6479  2.513430       11.91747 
1 1 1 -18 -41 42 o 17.186  7.2299  29.985     51.243   121.051    100.909  -1.6599    59.484   24.813  10.269  15.716  7.1436  9.096361       12.50950 
1 1 1 -18 -41 43 o 23.015  8.0291  88.112     55.112   42.909     104.534  105.513    64.858   20.672  9.4245  24.482  8.6957  -3.809629      12.82329 
1 1 1 -18 -41 44 o 22.379  9.8388  81.806     103.214  81.806     103.214  0.0000     0.0000   22.379  9.8388  ?       ?       0.000000       9.838800 
1 1 1 -18 -41 45 o 27.571  10.861  171.599    106.826  171.599    106.826  0.0000     0.0000   27.571  10.861  ?       ?       0.000000       10.86114 
1 1 1 -18 -41 46 o 20.406  7.5176  65.196     49.028   -61.3582   101.832  103.384    55.938   16.720  8.1029  24.591  8.0935  -7.871708      11.45259 
1 1 1 -18 -41 47 o 10.810  5.1680  -37.4219   38.236   -36.7311   94.662   -37.5566   41.798   16.954  8.1124  11.391  5.4338  5.563314       9.764038 
1 1 1 -18 -41 48 o 16.832  7.0735  29.632     48.964   119.350    103.940  4.0444     55.509   24.206  10.246  15.525  6.9936  8.680773       12.40543 
1 1 1 -18 -41 49 o 15.472  6.6957  16.219     46.219   -33.2471   102.108  28.965     51.833   17.536  8.4001  16.984  7.2148  0.5520344      11.07320 
1 1 1 -18 -41 50 o 10.950  5.3472  -64.9415   46.713   -65.0116   103.810  -64.9237   52.308   16.731  8.1253  11.758  5.7234  4.973109       9.938725 
1 1 1 -18 -41 51 o 22.613  8.7477  88.994     68.288   -56.7812   160.627  121.154    75.445   19.723  9.6897  25.259  9.3221  -5.536215      13.44595 
1 1 1 -18 -41 52 o 18.877  8.2920  36.569     73.178   466.197    167.311  -65.0593   81.374   39.822  13.984  15.019  7.2700  24.80295       15.76105 
1 1 1 -18 -41 53 o 20.039  8.4780  55.858     71.104   -75.6914   161.070  87.699     79.244   19.408  9.5676  22.452  9.1751  -3.044283      13.25598 
1 1 1 -18 -41 54 o 11.186  5.4322  -57.6812   46.380   44.934     119.530  -75.8688   50.322   20.966  9.7438  11.083  5.4407  9.882811       11.15984 
1 1 1 -18 -41 55 o 30.182  8.9870  166.906    70.719   0.0000     0.0000   166.906    70.719   ?       ?       30.182  8.9870  0.000000       8.987003 
1 1 1 -18 -41 56 o 18.315  8.4863  13.217     89.654   0.0000     0.0000   13.217     89.654   ?       ?       18.315  8.4863  0.000000       8.486347 
1 1 1 -18 -41 57 o 15.672  7.5486  -46.0340   85.153   0.0000     0.0000   -46.0340   85.153   ?       ?       15.672  7.5486  0.000000       7.548627 
1 1 1 -18 -41 58 o 13.025  6.4404  -101.8057  74.924   -250.5029  197.768  -76.8873   80.959   17.582  8.9179  14.258  6.9791  3.323272       11.32415 
1 1 1 -18 -40 1  o 15.136  6.4768  17.957     42.328   0.0000     0.0000   17.957     42.328   ?       ?       15.136  6.4768  0.000000       6.476838 
1 1 1 -18 -40 2  o 21.291  9.2167  71.370     87.636   0.0000     0.0000   71.370     87.636   ?       ?       21.291  9.2167  0.000000       9.216671 
1 1 1 -18 -40 3  o 34.056  11.206  257.929    107.240  0.0000     0.0000   257.929    107.240  ?       ?       34.056  11.206  0.000000       11.20616 
1 1 1 -18 -40 4  o 15.781  7.4286  -24.3066   73.267   0.0000     0.0000   -24.3066   73.267   ?       ?       15.781  7.4286  0.000000       7.428601 
1 1 1 -18 -40 5  o 17.572  8.1092  2.9495     80.650   0.0000     0.0000   2.9495     80.650   ?       ?       17.572  8.1092  0.000000       8.109157 
1 1 1 -18 -40 6  o 11.861  5.5829  -27.6391   41.371   -1.9720    228.208  -28.5113   42.068   22.233  11.036  11.921  5.6168  10.31262       12.38355 
1 1 1 -18 -40 7  o 16.223  6.6120  29.437     41.015   -85.5414   90.714   58.982     45.984   15.206  7.4312  19.682  7.2751  -4.476288      10.39949 
1 1 1 -18 -40 8  o 30.467  6.7589  142.449    48.658   193.128    104.750  128.505    54.945   29.160  10.940  27.786  7.8196  1.374140       13.44742 
1 1 1 -18 -40 9  o 21.456  7.1029  72.678     43.060   142.659    93.048   53.607     48.574   26.183  10.188  19.145  7.3857  7.037489       12.58353 
1 1 1 -18 -40 10 f 20.273  7.6190  63.631     50.848   -19.2433   94.448   97.454     60.339   17.598  8.3292  23.720  8.3914  -6.122290      11.82330 
1 1 1 -18 -40 11 o 21.368  7.7943  73.309     52.517   151.352    101.101  44.468     61.459   26.583  10.536  18.888  7.9305  7.695030       13.18722 
1 1 1 -18 -40 12 o 13.686  6.2380  -8.7793    45.759   -47.5859   91.260   4.2543     52.888   16.496  7.9123  15.379  6.8851  1.116744       10.48850 
1 1 1 -18 -40 13 o 23.554  9.1818  97.824     75.679   113.036    110.109  84.203     104.188  24.278  10.419  22.730  9.9416  1.547955       14.40117 
1 1 1 -18 -40 14 f 23.226  8.3127  89.779     59.378   139.796    121.478  74.077     68.062   25.743  10.993  21.685  8.6290  4.057440       13.97496 
1 1 1 -18 -40 15 o 18.081  7.5383  36.096     54.951   171.840    119.134  -0.5893    61.933   27.809  11.294  16.127  7.3142  11.68235       13.45544 
1 1 1 -18 -40 16 o 31.090  8.4424  160.988    65.330   274.963    133.707  125.245    74.877   33.715  12.416  26.398  9.3468  7.317310       15.54061 
1 1 1 -18 -40 17 o 24.972  8.5074  104.155    61.740   80.434     130.429  111.005    70.090   23.555  10.655  25.341  9.0355  -1.785797      13.97056 
1 1 1 -18 -40 18 o 32.144  6.5634  151.801    49.460   197.009    105.235  138.983    56.035   30.956  11.068  29.693  7.7094  1.263058       13.48826 
1 1 1 -18 -40 19 o 26.770  7.1175  109.337    47.030   131.646    101.012  103.162    53.141   26.423  10.513  25.468  7.8349  0.9554462      13.11130 
1 1 1 -18 -40 20 o 20.130  7.1591  58.548     43.975   60.930     99.437   57.969     49.030   22.209  9.7129  20.173  7.5011  2.035521       12.27223 
1 1 1 -18 -40 21 f 35.369  6.2592  178.873    51.751   176.155    113.252  179.590    58.180   29.358  11.291  34.650  7.1569  -5.292145      13.36792 
1 1 1 -18 -40 22 o 30.563  7.1097  140.092    51.730   77.424     107.953  158.771    58.938   23.485  10.198  32.089  7.6733  -8.603815      12.76235 
1 1 1 -18 -40 23 o 11.159  5.3239  -41.1042   40.153   1.3798     90.379   -51.5520   44.820   18.979  8.6947  11.441  5.5023  7.538900       10.28940 
1 1 1 -18 -40 24 o 50.640  4.9938  343.757    60.561   375.812    115.534  331.612    71.114   46.083  10.559  48.566  6.1743  -2.482483      12.23158 
1 1 1 -18 -40 25 o 20.017  7.4424  55.416     48.263   239.360    134.344  28.159     51.715   32.905  12.381  17.545  7.3137  15.36089       14.37972 
1 1 1 -18 -40 26 o 36.314  6.2743  187.095    53.285   358.659    102.716  123.924    62.328   46.778  9.3761  27.707  8.4788  19.07077       12.64128 
1 1 1 -18 -40 27 o 20.572  7.3236  60.442     46.030   118.545    95.079   42.655     52.606   26.164  10.266  18.948  7.5712  7.216068       12.75575 
1 1 1 -18 -40 28 o 34.923  6.4741  174.645    52.840   266.662    103.491  142.199    61.453   38.272  10.718  29.991  8.2065  8.281445       13.49906 
1 1 1 -18 -40 29 o 14.202  6.2823  -0.3986    42.703   18.361     89.938   -5.8588    48.521   19.882  8.9341  14.602  6.5619  5.279700       11.08500 
1 1 1 -18 -40 30 o 34.898  6.5207  174.747    53.185   193.607    106.807  168.529    61.329   31.551  11.164  33.189  7.7553  -1.638159      13.59344 
1 1 1 -18 -40 31 o 22.606  8.5144  76.455     63.570   134.127    101.684  39.453     81.448   27.221  10.634  20.509  8.8817  6.712118       13.85539 
1 1 1 -18 -40 32 o 34.923  9.2767  203.638    79.939   207.287    149.254  202.170    94.661   30.411  12.529  33.204  10.495  -2.792757      16.34377 
1 1 1 -18 -40 33 o 35.115  9.2580  205.860    80.004   21.579     148.458  281.282    94.975   22.806  10.684  40.747  9.7388  -17.94016      14.45674 
1 1 1 -18 -40 34 o 47.953  8.3468  357.362    93.591   413.444    173.054  334.179    111.266  40.440  14.221  43.151  10.684  -2.710548      17.78701 
1 1 1 -18 -40 35 o 18.585  7.3853  41.356     49.795   61.953     97.042   33.995     58.014   22.426  9.7034  18.509  7.7336  3.917273       12.40827 
1 1 1 -18 -40 36 o 31.770  7.5838  154.700    57.652   349.888    114.350  88.176     66.758   43.844  10.816  23.608  8.7578  20.23674       13.91694 
1 1 1 -18 -40 37 o 33.243  7.3972  167.542    58.129   15.964     116.057  218.301    67.160   21.030  9.7132  37.925  7.5635  -16.89472      12.31071 
1 1 1 -18 -40 38 o 19.542  7.6023  50.775     51.801   -1.0649    110.883  65.247     58.587   20.057  9.3424  21.209  8.1293  -1.152033      12.38409 
1 1 1 -18 -40 39 o 40.343  6.8173  238.640    64.356   433.011    130.068  175.630    74.056   47.696  11.395  32.122  9.0917  15.57356       14.57752 
1 1 1 -18 -40 40 o 20.876  8.8459  54.151     77.601   99.640     153.478  38.528     89.945   24.856  11.366  20.524  9.0961  4.332636       14.55775 
1 1 1 -18 -40 41 o 15.571  7.3726  -40.4230   74.137   -42.3876   149.714  -39.7847   85.334   20.508  9.9101  16.638  7.8871  3.870287       12.66553 
1 1 1 -18 -40 42 o 53.993  16.391  855.585    233.586  855.585    233.586  0.0000     0.0000   53.993  16.391  ?       ?       0.000000       16.39147 
1 1 1 -18 -40 43 o 16.498  7.9358  -60.0130   93.309   -60.0130   93.309   0.0000     0.0000   16.498  7.9358  ?       ?       0.000000       7.935830 
1 1 1 -18 -40 44 o 31.246  11.222  211.776    108.304  211.776    108.304  0.0000     0.0000   31.246  11.222  ?       ?       0.000000       11.22210 
1 1 1 -18 -40 45 o 13.320  6.3340  -41.3278   55.875   7.8798     91.680   -70.4067   70.477   18.750  8.6505  13.915  6.7429  4.835129       10.96805 
1 1 1 -18 -40 46 o 14.527  6.4685  2.4230     46.010   75.249     97.896   -18.2243   52.126   22.194  9.6738  13.974  6.4736  8.220220       11.64003 
1 1 1 -18 -40 47 o 14.830  6.4047  12.383     42.119   118.436    102.919  -8.9517    46.162   24.602  10.292  13.747  6.2655  10.85531       12.04903 
1 1 1 -18 -40 48 o 20.382  7.3072  63.875     45.899   86.783     116.571  59.672     49.933   22.902  10.240  19.931  7.5370  2.971094       12.71433 
1 1 1 -18 -40 49 o 16.142  6.9652  19.217     49.726   48.774     120.468  13.147     54.594   21.400  9.8881  16.143  7.1239  5.256973       12.18704 
1 1 1 -18 -40 50 o 32.648  7.7995  172.854    60.940   219.837    127.515  158.947    69.375   29.597  11.800  29.860  8.9034  -0.2634869     14.78241 
1 1 1 -18 -40 51 o 10.846  5.3278  -76.2497   48.499   -8.6389    113.558  -91.3329   53.636   19.149  9.0838  11.089  5.4768  8.060164       10.60711 
1 1 1 -18 -40 52 o 17.447  7.7059  20.783     64.014   -15.7295   157.030  28.060     70.103   20.721  10.047  18.314  8.0778  2.407097       12.89169 
1 1 1 -18 -40 53 o 22.596  8.8500  86.225     70.562   10.057     165.603  103.121    77.996   21.604  10.435  23.916  9.3218  -2.312559      13.99259 
1 1 1 -18 -40 54 o 9.4478  4.7291  -108.1336  45.785   0.0000     0.0000   -108.1336  45.785   ?       ?       9.4478  4.7291  0.000000       4.729116 
1 1 1 -18 -40 55 o 24.771  8.9580  110.531    69.154   0.0000     0.0000   110.531    69.154   ?       ?       24.771  8.9580  0.000000       8.958021 
1 1 1 -18 -40 56 o 13.215  6.1499  -20.5151   47.866   -369.6756  194.990  1.8751     49.377   17.051  8.6688  14.788  6.6343  2.262394       10.91615 
1 1 1 -18 -40 57 o 20.386  9.0031  54.864     87.348   163.177    228.769  36.379     94.509   24.649  11.992  19.721  8.9795  4.927467       14.98095 
1 1 1 -18 -40 58 o 23.933  9.8521  117.344    92.210   93.450     239.494  121.503    99.912   23.078  11.430  24.014  10.099  -0.9352417     15.25184 
1 1 1 -18 -40 59 o 23.746  9.7730  119.549    90.710   162.591    218.546  110.590    99.704   23.624  11.543  22.988  9.8912  0.6353168      15.20092 
1 1 1 -18 -39 1  o 24.539  7.5776  98.205     49.655   0.0000     0.0000   98.205     49.655   ?       ?       24.539  7.5776  0.000000       7.577612 
1 1 1 -18 -39 2  o 11.297  5.3642  -34.0722   39.782   0.0000     0.0000   -34.0722   39.782   ?       ?       11.297  5.3642  0.000000       5.364218 
1 1 1 -18 -39 3  f 28.971  7.4597  133.848    52.753   0.0000     0.0000   133.848    52.753   ?       ?       28.971  7.4597  0.000000       7.459709 
1 1 1 -18 -39 4  o 24.246  8.4931  101.507    61.695   116.195    91.642   89.332     83.435   24.603  9.9355  22.794  9.3762  1.808380       13.66119 
1 1 1 -18 -39 5  o 20.228  8.8829  48.960     83.922   144.970    225.821  33.576     90.396   24.997  12.102  19.697  8.8939  5.299694       15.01878 
1 1 1 -18 -39 6  o 18.245  8.3510  11.514     83.136   192.376    222.925  -17.7032   89.600   25.965  12.431  17.438  8.2106  8.527000       14.89762 
1 1 1 -18 -39 7  o 20.318  7.4455  63.179     48.000   -91.3297   264.320  68.448     48.812   22.090  11.099  20.925  7.5318  1.165224       13.41357 
1 1 1 -18 -39 8  o 33.530  6.3703  166.118    49.933   120.544    106.118  179.078    56.589   24.717  10.402  34.151  7.0623  -9.434164      12.57250 
1 1 1 -18 -39 9  o 14.456  6.2131  11.644     39.261   -74.4875   86.242   34.161     44.096   15.318  7.4314  17.082  6.8942  -1.764480      10.13685 
1 1 1 -18 -39 10 o 28.024  6.8195  119.638    45.930   177.627    95.714   102.290    52.352   29.455  10.553  25.064  7.7875  4.391672       13.11516 
1 1 1 -18 -39 11 o 18.667  7.3637  45.930     49.168   -6.7079    94.253   65.609     57.631   18.426  8.5930  20.887  8.0484  -2.460781      11.77355 
1 1 1 -18 -39 12 o 25.506  8.2684  107.722    58.468   12.767     105.936  149.317    70.114   19.976  9.2452  29.298  8.9974  -9.321823      12.90067 
1 1 1 -18 -39 13 o 17.734  6.7856  40.431     40.776   -95.0972   100.272  67.284     44.633   16.168  7.8818  21.140  7.2333  -4.971954      10.69779 
1 1 1 -18 -39 14 o 89.464  4.3475  1048.65    94.374   777.184    172.821  1164.00    112.654  64.302  11.499  93.046  5.0082  -28.74395      12.54195 
1 1 1 -18 -39 15 o 36.058  8.0083  203.493    68.244   297.581    129.907  167.631    80.202   36.872  12.342  30.739  9.6533  6.132509       15.66840 
1 1 1 -18 -39 16 o 22.422  8.2057  76.622     58.275   87.462     118.376  73.154     66.950   24.234  10.598  22.204  8.6414  2.030542       13.67472 
1 1 1 -18 -39 17 o 13.015  6.1362  -36.8493   50.352   -35.1153   109.048  -37.3192   56.765   18.918  8.9529  13.880  6.5352  5.038216       11.08440 
1 1 1 -18 -39 18 o 20.795  8.1373  58.477     59.615   148.792    121.720  29.975     68.378   27.845  11.374  19.043  8.1926  8.801350       14.01754 
1 1 1 -18 -39 19 o 23.070  7.3222  79.608     46.038   151.753    97.596   58.960     52.212   28.774  10.606  20.620  7.7262  8.153851       13.12149 
1 1 1 -18 -39 20 o 38.803  5.8179  208.040    53.088   156.208    113.831  222.447    60.015   28.739  11.245  39.601  6.4692  -10.86137      12.97299 
1 1 1 -18 -39 21 o 37.062  6.0041  191.113    52.146   272.935    106.706  165.441    59.770   38.877  10.882  33.178  7.5892  5.698723       13.26691 
1 1 1 -18 -39 22 o 12.044  5.5978  -24.7975   39.467   -40.2098   88.610   -20.9835   44.080   17.388  8.1805  13.045  6.0115  4.342888       10.15175 
1 1 1 -18 -39 23 o 28.454  7.0913  119.251    48.784   109.553    102.810  122.069    55.420   26.001  10.515  28.282  7.8158  -2.281055      13.10186 
1 1 1 -18 -39 24 o 14.274  6.2599  1.3193     41.553   -53.5643   85.728   18.173     47.506   16.667  7.9021  16.452  6.9435  0.2142563      10.51932 
1 1 1 -18 -39 25 o 51.042  4.9624  345.022    60.681   399.319    116.949  325.018    70.985   49.061  10.159  48.457  6.1779  0.6042328      11.88968 
1 1 1 -18 -39 26 o 10.386  5.0431  -58.4777   39.957   -69.4971   84.514   -55.3055   45.345   16.005  7.6600  11.466  5.5194  4.538388       9.441392 
1 1 1 -18 -39 27 o 12.380  5.7415  -24.6442   41.167   -51.2332   87.579   -17.1029   46.641   16.976  8.0305  13.729  6.2730  3.247114       10.19020 
1 1 1 -18 -39 28 o 26.022  7.4061  100.791    49.002   -19.0870   98.024   140.728    56.578   19.145  8.8719  30.654  7.6353  -11.50946      11.70505 
1 1 1 -18 -39 29 o 26.503  7.4278  104.660    49.683   86.372     99.520   110.731    57.340   24.627  10.196  26.852  8.1144  -2.224100      13.03073 
1 1 1 -18 -39 30 o 14.957  6.5330  3.7296     44.858   -19.0886   91.418   10.966     51.482   18.609  8.6038  16.349  7.0708  2.259735       11.13653 
1 1 1 -18 -39 31 o 16.485  6.8562  20.960     45.297   -14.6349   92.641   32.143     51.927   18.888  8.7077  18.155  7.4241  0.7325287      11.44301 
1 1 1 -18 -39 32 o 53.145  6.5857  396.392    83.105   415.574    122.470  380.021    113.140  49.637  10.497  48.010  10.035  1.626377       14.52202 
1 1 1 -18 -39 33 f 25.359  9.1458  101.293    72.012   30.599     137.901  127.799    84.439   23.292  10.696  27.602  9.9093  -4.310390      14.58069 
1 1 1 -18 -39 34 o 30.651  9.6065  157.734    79.470   299.608    154.062  106.297    92.764   36.551  13.347  25.741  10.127  10.81021       16.75437 
1 1 1 -18 -39 35 o 18.652  7.9694  26.542     63.913   15.572     133.509  29.803     72.796   22.457  10.388  19.566  8.4352  2.891077       13.38162 
1 1 1 -18 -39 36 o 26.596  7.7988  108.301    53.592   -27.5852   102.799  159.016    62.802   19.019  8.9038  32.113  8.0696  -13.09452      12.01645 
1 1 1 -18 -39 37 f 35.257  7.0853  181.833    58.510   256.963    121.554  159.176    66.752   35.825  11.938  31.676  8.5056  4.148684       14.65772 
1 1 1 -18 -39 38 o 18.814  7.5142  41.083     51.791   169.293    99.512   -6.5463    60.653   30.193  10.766  16.079  7.2704  14.11380       12.99108 
1 1 1 -18 -39 39 o 17.810  7.3731  30.299     52.039   -22.8709   97.117   51.715     61.635   18.612  8.6942  20.319  8.1682  -1.706688      11.92933 
1 1 1 -18 -39 40 o 19.956  7.6392  53.468     51.693   125.897    97.518   25.162     60.962   26.635  10.412  18.111  7.7620  8.524015       12.98661 
1 1 1 -18 -39 41 o 23.480  10.980  40.141     155.573  40.141     155.573  0.0000     0.0000   23.480  10.980  ?       ?       0.000000       10.97980 
1 1 1 -18 -39 42 o 23.046  10.871  27.364     158.395  27.364     158.395  0.0000     0.0000   23.046  10.871  ?       ?       0.000000       10.87092 
1 1 1 -18 -39 43 o 107.179 15.471  2726.62    390.690  2726.62    390.690  0.0000     0.0000   107.179 15.471  ?       ?       0.000000       15.47102 
1 1 1 -18 -39 44 o 16.480  6.9194  23.029     46.787   210.756    96.209   -35.1187   53.545   33.103  10.593  13.453  6.3381  19.65041       12.34471 
1 1 1 -18 -39 45 o 25.759  7.1827  102.344    46.583   55.198     110.427  112.550    51.378   22.054  9.9056  26.716  7.5766  -4.662512      12.47096 
1 1 1 -18 -39 46 o 8.6193  4.3281  -104.7327  39.840   -97.9835   107.466  -105.8080  42.896   16.576  8.0979  9.1014  4.5589  7.474322       9.293026 
1 1 1 -18 -39 47 o 27.683  8.1191  126.367    58.081   91.869     122.973  136.272    65.893   23.700  10.562  28.122  8.7367  -4.421324      13.70748 
1 1 1 -18 -39 48 o 12.840  5.8036  -7.4988    38.608   -69.5625   110.869  1.0657     41.185   17.442  8.4536  13.862  6.1488  3.580832       10.45328 
1 1 1 -18 -39 49 o 30.357  7.7437  148.031    57.221   260.264    123.386  117.279    64.586   33.278  11.975  25.978  8.7020  7.299772       14.80311 
1 1 1 -18 -39 50 o 20.715  7.7107  65.609     51.834   43.268     118.999  70.840     57.584   21.407  9.8690  21.298  8.0842  0.1088982      12.75739 
1 1 1 -18 -39 51 o 21.300  7.8667  71.056     53.745   148.197    122.167  52.544     59.847   26.164  11.093  19.653  7.9958  6.510773       13.67476 
1 1 1 -18 -39 52 o 15.515  7.1416  -10.9335   61.983   -1.9204    153.556  -12.6879   67.747   21.168  10.182  15.993  7.3987  5.175045       12.58591 
1 1 1 -18 -39 53 o 30.589  10.292  185.192    90.342   0.0000     0.0000   185.192    90.342   ?       ?       30.589  10.292  0.000000       10.29169 
1 1 1 -18 -39 54 o 18.811  8.2905  29.779     73.698   0.0000     0.0000   29.779     73.698   ?       ?       18.811  8.2905  0.000000       8.290485 
1 1 1 -18 -39 55 o 19.559  7.6811  53.827     53.273   -124.1460  127.428  91.521     58.644   17.199  8.4847  23.474  8.2761  -6.275206      11.85261 
1 1 1 -18 -39 56 o 17.767  7.3243  36.300     51.053   154.518    95.910   -10.4389   60.307   27.466  10.431  15.352  7.0585  12.11413       12.59503 
1 1 1 -18 -39 57 o 18.076  8.4378  -4.7315    91.225   20.521     227.653  -9.5622    99.569   22.944  11.323  18.404  8.6624  4.540087       14.25641 
1 1 1 -18 -39 58 o 23.330  9.7362  100.650    91.787   193.436    244.829  85.476     99.009   25.442  12.384  22.447  9.7567  2.995537       15.76567 
1 1 1 -18 -39 59 o 22.199  9.5163  87.135     91.675   -230.7557  264.003  130.723    97.758   20.131  10.220  24.839  10.175  -4.708538      14.42188 
1 1 1 -18 -38 1  f 26.890  7.6712  116.460    52.508   0.0000     0.0000   116.460    52.508   ?       ?       26.890  7.6712  0.000000       7.671176 
1 1 1 -18 -38 2  o 17.771  7.0713  39.510     45.706   0.0000     0.0000   39.510     45.706   ?       ?       17.771  7.0713  0.000000       7.071314 
1 1 1 -18 -38 3  o 30.748  6.3533  139.521    45.832   200.005    95.014   121.180    52.321   31.417  10.555  27.485  7.5936  3.932392       13.00233 
1 1 1 -18 -38 4  o 22.843  7.1081  81.363     43.597   81.033     101.581  81.438     48.269   22.677  9.8698  22.632  7.5216  0.4467583E-01  12.40915 
1 1 1 -18 -38 5  f 16.667  7.4131  11.514     60.251   -24.3972   85.325   47.229     85.092   17.011  8.0104  20.380  8.9473  -3.369228      12.00921 
1 1 1 -18 -38 6  o 27.104  9.9126  140.782    85.022   270.372    230.748  120.425    91.456   28.330  13.287  25.241  10.016  3.088264       16.63916 
1 1 1 -18 -38 7  o 21.842  9.1366  71.066     81.099   322.476    261.360  44.280     85.310   29.067  13.786  20.333  8.9418  8.734734       16.43220 
1 1 1 -18 -38 8  o 17.633  7.8545  14.805     67.907   346.091    206.650  -25.2988   71.900   32.021  14.003  15.926  7.4527  16.09587       15.86306 
1 1 1 -18 -38 9  o 28.923  7.1788  128.146    50.144   29.099     180.710  136.409    52.193   23.185  11.124  29.778  7.2838  -6.592426      13.29670 
1 1 1 -18 -38 10 o 14.521  6.2229  10.614     39.177   -67.9533   87.747   30.176     43.784   15.944  7.6755  16.890  6.8512  -0.9464560     10.28839 
1 1 1 -18 -38 11 o 30.304  6.7125  135.306    48.056   183.777    103.123  121.859    54.315   30.471  10.950  27.873  7.7502  2.598495       13.41499 
1 1 1 -18 -38 12 o 14.974  5.8979  23.100     31.496   -69.5192   89.242   36.278     33.663   16.166  7.7724  16.899  6.2287  -0.7324524     9.960228 
1 1 1 -18 -38 13 f 17.422  6.8223  35.224     41.926   -99.2436   117.333  54.905     44.889   17.698  8.6048  19.862  7.2120  -2.164141      11.22745 
1 1 1 -18 -38 14 o 16.686  6.7236  27.997     41.868   95.768     94.983   11.654     46.643   24.683  10.061  15.695  6.7592  8.988432       12.12078 
1 1 1 -18 -38 15 o 50.367  4.8307  336.040    58.312   448.467    114.537  296.704    67.749   52.966  9.2488  46.087  6.2172  6.879177       11.14420 
1 1 1 -18 -38 16 o 22.815  8.3172  76.841     59.786   239.690    125.174  28.712     68.050   34.415  12.095  19.124  8.1985  15.29131       14.61196 
1 1 1 -18 -38 17 o 21.936  8.2262  67.697     59.213   40.918     120.696  76.186     67.952   22.946  10.327  22.973  8.7670  -0.2729034E-01 13.54611 
1 1 1 -18 -38 18 o 18.780  7.7642  33.769     57.595   -80.5570   119.573  68.306     65.721   18.733  9.0040  22.260  8.5900  -3.527559      12.44424 
1 1 1 -18 -38 19 o 21.567  8.2639  62.320     60.531   49.811     118.412  66.746     70.428   23.440  10.410  22.358  8.8152  1.081879       13.64116 
1 1 1 -18 -38 20 o 18.699  7.1145  42.450     44.665   123.787    119.460  29.232     48.158   27.435  11.244  17.620  7.1710  9.814816       13.33644 
1 1 1 -18 -38 21 o 24.821  7.2496  90.074     46.392   141.551    94.883   73.901     53.183   28.918  10.488  22.674  7.8886  6.244131       13.12327 
1 1 1 -18 -38 22 o 21.449  7.3054  64.495     45.526   3.6687     93.609   83.339     52.103   20.009  9.0413  23.835  7.8095  -3.825464      11.94712 
1 1 1 -18 -38 23 o 24.968  7.2638  90.806     46.656   58.537     94.330   101.257    53.682   23.059  9.7608  26.067  7.8455  -3.008297      12.52300 
1 1 1 -18 -38 24 o 14.796  6.4771  1.2889     44.314   99.291     92.502   -27.9012   50.484   25.783  10.123  13.757  6.3722  12.02675       11.96137 
1 1 1 -18 -38 25 o 33.985  6.4896  161.340    51.563   250.558    98.434   127.601    60.532   38.926  10.272  29.036  8.2203  9.889824       13.15646 
1 1 1 -18 -38 26 o 11.764  5.5471  -36.5279   41.183   56.421     88.276   -62.3856   46.560   22.711  9.5185  11.437  5.5266  11.27450       11.00657 
1 1 1 -18 -38 27 o 14.211  6.3177  -5.3817    43.714   23.471     93.034   -13.5567   49.521   21.084  9.3023  14.502  6.5624  6.581991       11.38416 
1 1 1 -18 -38 28 o 33.370  6.5638  155.933    51.253   193.960    101.624  142.961    59.354   33.474  10.904  31.033  7.8708  2.440992       13.44763 
1 1 1 -18 -38 29 o 17.865  7.0496  33.447     45.076   -2.4357    94.203   44.102     51.334   19.887  9.0203  19.468  7.5696  0.4192410      11.77554 
1 1 1 -18 -38 30 o 24.726  7.5606  89.303     49.570   96.643     96.456   86.668     57.785   25.742  10.263  24.298  8.2306  1.443855       13.15584 
1 1 1 -18 -38 31 o 42.049  5.9152  240.034    58.683   270.936    111.349  228.150    69.051   39.503  11.137  39.825  7.4188  -0.3216209     13.38167 
1 1 1 -18 -38 32 o 20.845  7.5759  58.076     49.550   11.899     97.887   73.984     57.455   20.799  9.3353  22.854  8.1773  -2.054800      12.41031 
1 1 1 -18 -38 33 o 27.363  8.7971  115.878    66.288   59.160     104.956  153.516    85.499   23.611  10.154  30.469  10.005  -6.858072      14.25460 
1 1 1 -18 -38 34 f 32.404  9.4234  169.069    78.536   288.258    145.107  119.691    93.398   37.644  13.034  27.275  10.309  10.36848       16.61854 
1 1 1 -18 -38 35 o 31.714  9.4902  163.220    78.715   582.069    151.684  8.8501     92.086   58.796  11.038  20.122  9.0412  38.67390       14.26794 
1 1 1 -18 -38 36 o 16.468  7.4695  -11.5427   64.600   162.385    135.368  -62.8330   73.511   29.709  12.048  15.136  7.2165  14.57280       14.04396 
1 1 1 -18 -38 37 o 44.555  5.9312  271.315    62.528   265.779    115.190  273.628    74.452   38.073  11.500  43.557  7.3031  -5.484097      13.62300 
1 1 1 -18 -38 38 o 18.404  7.3549  36.515     49.649   34.086     90.361   37.566     59.422   21.163  9.2573  19.264  7.9171  1.898876       12.18106 
1 1 1 -18 -38 39 o 17.433  7.2110  26.437     49.717   -32.4340   89.026   53.118     59.933   17.829  8.3268  20.606  8.1294  -2.776999      11.63718 
1 1 1 -18 -38 40 o 26.822  10.650  121.416    103.476  121.416    103.476  0.0000     0.0000   26.822  10.650  ?       ?       0.000000       10.65020 
1 1 1 -18 -38 41 o 48.972  10.682  414.330    123.357  414.330    123.357  0.0000     0.0000   48.972  10.682  ?       ?       0.000000       10.68206 
1 1 1 -18 -38 42 o 17.354  8.6101  -191.0301  138.227  -191.0301  138.227  0.0000     0.0000   17.354  8.6101  ?       ?       0.000000       8.610057 
1 1 1 -18 -38 43 o 22.803  8.7496  77.462     67.913   -31.1602   165.162  99.564     74.503   22.135  10.624  24.835  9.2442  -2.699781      14.08287 
1 1 1 -18 -38 44 o 13.832  5.9751  5.8354     36.672   -192.0444  103.064  34.520     39.240   14.443  7.2092  17.118  6.6286  -2.675076      9.793369 
1 1 1 -18 -38 45 o 24.526  7.2576  91.565     46.227   174.710    114.548  75.389     50.523   29.361  11.338  22.298  7.6928  7.062885       13.70102 
1 1 1 -18 -38 46 o 13.425  5.9839  -3.2215    39.482   26.698     108.409  -7.7967    42.393   21.000  9.5833  13.518  6.0985  7.482419       11.35916 
1 1 1 -18 -38 47 o 29.813  6.9660  133.660    49.483   64.097     117.873  148.542    54.520   22.820  10.243  31.150  7.3347  -8.330149      12.59825 
1 1 1 -18 -38 48 o 13.277  5.8900  -1.1964    37.802   -33.7893   111.861  3.0057     40.165   18.777  8.9385  13.960  6.1374  4.816944       10.84267 
1 1 1 -18 -38 49 f 13.581  6.0006  0.9159     38.848   -27.4181   114.176  4.6256     41.313   19.044  9.0557  14.224  6.2396  4.820756       10.99722 
1 1 1 -18 -38 50 o 21.484  7.9591  71.184     55.099   30.686     120.558  81.877     61.947   21.264  9.8488  22.572  8.4240  -1.308332      12.95998 
1 1 1 -18 -38 51 f 20.529  7.7977  62.389     53.599   7.8182     121.606  75.546     59.712   20.475  9.6170  21.924  8.2532  -1.448650      12.67284 
1 1 1 -18 -38 52 o 12.977  6.1201  -33.6582   50.149   0.0000     0.0000   -33.6582   50.149   ?       ?       12.977  6.1201  0.000000       6.120054 
1 1 1 -18 -38 53 o 27.501  9.9660  143.683    85.657   0.0000     0.0000   143.683    85.657   ?       ?       27.501  9.9660  0.000000       9.966042 
1 1 1 -18 -38 54 o 20.938  8.6098  61.531     70.323   197.451    152.355  24.734     79.273   28.300  12.202  18.995  8.4718  9.305080       14.85438 
1 1 1 -18 -38 55 o 13.692  6.3335  -19.4590   49.626   79.648     111.439  -43.9744   55.425   23.098  10.186  13.223  6.2940  9.875295       11.97407 
1 1 1 -18 -38 56 o 18.028  7.4587  36.080     53.204   59.552     116.794  29.934     59.766   22.268  10.077  18.000  7.6991  4.268625       12.68173 
1 1 1 -18 -38 57 o 17.036  7.2631  25.026     52.874   141.950    115.381  -6.0545    59.488   26.203  10.924  15.581  7.1060  10.62113       13.03168 
1 1 1 -18 -38 58 o 30.069  10.798  190.847    100.271  269.434    269.970  178.271    107.997  27.363  13.244  28.551  11.013  -1.187845      17.22490 
1 1 1 -18 -38 59 o 16.080  7.7630  -60.2909   91.330   -245.6056  253.652  -32.6873   97.896   20.248  10.252  17.443  8.3196  2.804893       13.20320 
1 1 1 -18 -38 60 o 35.472  11.550  289.398    114.042  680.119    287.742  216.585    124.215  33.375  15.372  29.005  11.618  4.370144       19.26873 
1 1 1 -18 -37 1  o 42.008  6.1843  253.665    61.150   0.0000     0.0000   253.665    61.150   ?       ?       42.008  6.1843  0.000000       6.184339 
1 1 1 -18 -37 2  o 14.405  6.1429  12.193     37.839   -118.5784  82.395   47.143     42.596   13.833  6.8239  18.527  6.9713  -4.693380      9.755284 
1 1 1 -18 -37 3  o 13.115  5.8014  -0.1580    36.418   -91.8285   79.806   23.952     40.928   14.309  6.9881  15.896  6.5561  -1.586775      9.582109 
1 1 1 -18 -37 4  o 18.846  6.9973  49.573     42.634   72.872     97.288   44.036     47.430   22.445  9.7137  18.444  7.2461  4.001198       12.11865 
1 1 1 -18 -37 5  o 21.717  7.1110  71.667     43.202   87.723     89.245   66.753     49.372   23.298  9.6511  21.040  7.5747  2.258192       12.26869 
1 1 1 -18 -37 6  o 20.823  8.1359  62.276     59.525   -15.0396   90.307   121.673    79.154   18.036  8.4111  26.154  9.5646  -8.118538      12.73686 
1 1 1 -18 -37 7  o 17.519  7.8462  8.4756     68.754   56.908     233.499  3.8777     71.944   25.035  12.164  17.536  7.9248  7.498329       14.51809 
1 1 1 -18 -37 8  o 12.584  6.0812  -65.4106   56.379   196.700    161.652  -101.7080  60.156   29.126  12.563  11.860  5.8470  17.26571       13.85714 
1 1 1 -18 -37 9  o 16.010  7.2594  -6.8543    60.953   64.715     169.315  -17.5105   65.333   24.669  11.509  15.908  7.3262  8.760509       13.64267 
1 1 1 -18 -37 10 o 27.283  7.3367  112.378    49.623   11.894     222.195  117.653    50.909   24.832  12.018  27.882  7.4016  -3.049833      14.11432 
1 1 1 -18 -37 11 o 48.204  4.5013  304.572    52.039   173.099    114.891  338.507    58.370   29.956  11.407  50.571  4.8151  -20.61460      12.38196 
1 1 1 -18 -37 12 o 36.641  5.3347  181.606    46.036   226.777    106.813  171.301    51.018   34.934  11.160  34.928  6.2493  0.6137848E-02  12.79068 
1 1 1 -18 -37 13 f 25.935  6.3855  95.998     39.915   218.826    94.360   69.229     44.050   35.587  10.323  21.909  7.1808  13.67842       12.57527 
1 1 1 -18 -37 14 o 15.202  6.3938  13.643     40.060   69.265     88.627   -0.6400    44.910   23.260  9.6250  14.650  6.4634  8.609475       11.59381 
1 1 1 -18 -37 15 o 19.208  6.9647  48.062     41.843   40.103     90.253   50.242     47.225   21.621  9.3565  19.751  7.3583  1.869839       11.90329 
1 1 1 -18 -37 16 o 17.861  6.8286  36.903     41.273   -12.6587   93.247   48.979     46.027   19.242  8.8210  19.586  7.2708  -0.3443031     11.43127 
1 1 1 -18 -37 17 o 64.955  5.4587  560.784    85.236   663.002    128.282  479.986    114.053  67.494  7.9881  56.706  8.5553  10.78759       11.70484 
1 1 1 -18 -37 18 o 12.918  6.1538  -53.0704   53.208   112.340    113.729  -99.4207   60.203   27.139  11.030  12.186  5.9759  14.95275       12.54459 
1 1 1 -18 -37 19 o 35.677  8.2636  189.917    70.130   135.889    131.811  211.250    82.827   28.851  11.817  36.771  9.2822  -7.919758      15.02640 
1 1 1 -18 -37 20 o 30.493  8.5545  141.168    65.865   -6.7103    135.948  186.527    75.292   22.700  10.494  34.897  8.8723  -12.19736      13.74216 
1 1 1 -18 -37 21 o 29.003  8.6637  127.765    65.644   144.075    130.031  122.186    76.046   29.527  11.866  28.071  9.4424  1.455608       15.16459 
1 1 1 -18 -37 22 o 24.735  7.2409  87.545     46.235   55.073     90.622   98.972     53.757   23.013  9.6445  26.024  7.8552  -3.011135      12.43866 
1 1 1 -18 -37 23 f 17.187  6.8099  28.664     42.224   -45.3916   84.743   53.121     48.700   17.318  8.1001  20.415  7.4968  -3.097189      11.03695 
1 1 1 -18 -37 24 o 21.753  7.2657  65.115     45.024   185.317    92.903   28.217     51.473   33.705  10.358  18.105  7.3962  15.60004       12.72747 
1 1 1 -18 -37 25 o 23.348  7.3746  77.025     46.743   50.191     97.407   85.053     53.278   23.182  9.8699  24.352  7.8927  -1.170271      12.63766 
1 1 1 -18 -37 26 o 25.525  7.3744  93.377     48.238   141.788    93.222   75.675     56.371   29.761  10.439  23.290  8.1206  6.471233       13.22575 
1 1 1 -18 -37 27 f 31.888  6.7619  142.105    50.696   106.077    101.318  154.137    58.553   26.985  10.594  32.757  7.5251  -5.772593      12.99473 
1 1 1 -18 -37 28 o 24.626  7.3666  86.519     47.434   -26.4888   95.463   123.567    54.660   19.198  8.8465  29.204  7.6297  -10.00597      11.68221 
1 1 1 -18 -37 29 o 21.392  7.5348  61.228     48.598   31.268     94.722   71.931     56.618   21.948  9.5416  22.884  8.1250  -0.9354858     12.53228 
1 1 1 -18 -37 30 o 20.038  7.4956  49.279     49.102   3.5199     93.707   66.598     57.650   20.409  9.1487  22.338  8.1636  -1.928940      12.26146 
1 1 1 -18 -37 31 o 28.044  7.4846  113.571    51.879   167.523    101.580  94.532     60.343   31.733  10.910  25.437  8.4077  6.296474       13.77396 
1 1 1 -18 -37 32 o 26.671  7.6128  103.176    51.697   63.945     101.565  116.895    60.060   24.180  10.176  28.050  8.2647  -3.869612      13.10931 
1 1 1 -18 -37 33 o 21.176  7.6547  59.098     50.488   62.864     98.743   57.765     58.748   23.942  10.052  21.443  8.1592  2.498989       12.94689 
1 1 1 -18 -37 34 o 26.586  9.0859  106.531    70.424   144.344    138.652  93.384     81.754   29.628  12.125  25.457  9.6398  4.171160       15.49023 
1 1 1 -18 -37 35 o 42.123  8.3306  261.873    82.129   142.533    154.202  309.134    97.038   29.554  12.493  44.998  9.1982  -15.44330      15.51418 
1 1 1 -18 -37 36 o 36.289  10.209  215.693    93.676   0.0000     0.0000   215.693    93.676   ?       ?       36.289  10.209  0.000000       10.20947 
1 1 1 -18 -37 37 o 22.219  9.3181  50.800     84.685   0.0000     0.0000   50.800     84.685   ?       ?       22.219  9.3181  0.000000       9.318121 
1 1 1 -18 -37 38 o 56.968  5.0636  426.389    69.263   620.758    126.895  343.906    82.663   65.052  8.2229  49.372  7.1049  15.68040       10.86718 
1 1 1 -18 -37 39 o 28.786  10.720  139.043    100.207  139.043    100.207  0.0000     0.0000   28.786  10.720  ?       ?       0.000000       10.71975 
1 1 1 -18 -37 40 o 22.910  9.8408  54.052     98.384   54.052     98.384   0.0000     0.0000   22.910  9.8408  ?       ?       0.000000       9.840773 
1 1 1 -18 -37 41 o 27.031  7.6395  109.166    52.327   31.953     110.288  131.597    59.443   22.295  9.9647  29.394  8.0829  -7.098179      12.83072 
1 1 1 -18 -37 42 o 21.351  8.7396  53.698     72.049   123.779    162.203  36.472     80.418   27.635  12.233  20.660  8.8862  6.974920       15.11989 
1 1 1 -18 -37 43 o 40.665  7.5060  243.075    71.333   92.966     181.702  270.426    77.560   26.616  12.243  42.669  7.7780  -16.05301      14.50452 
1 1 1 -18 -37 44 o 42.019  8.1788  268.852    80.387   530.815    204.393  220.917    87.433   45.181  15.479  36.269  9.7324  8.912128       18.28421 
1 1 1 -18 -37 45 o 23.971  7.2632  85.912     45.896   91.581     112.964  84.792     50.228   24.829  10.601  23.678  7.6623  1.150419       13.08063 
1 1 1 -18 -37 46 o 29.467  7.0897  129.179    50.075   176.837    117.311  118.560    55.374   29.800  11.483  27.605  7.8786  2.195005       13.92584 
1 1 1 -18 -37 47 o 14.675  6.2554  11.276     39.206   16.679     110.648  10.501     41.926   20.913  9.5950  14.956  6.4242  5.956201       11.54702 
1 1 1 -18 -37 48 o 11.766  5.3970  -15.6773   34.979   -189.9738  108.913  4.3687     36.936   14.919  7.4409  13.696  5.9562  1.222667       9.531225 
1 1 1 -18 -37 49 o 29.182  7.0831  128.641    49.647   76.024     122.229  139.036    54.331   23.567  10.515  30.024  7.4842  -6.456758      12.90631 
1 1 1 -18 -37 50 o 26.123  8.5677  113.579    62.705   0.0000     0.0000   113.579    62.705   ?       ?       26.123  8.5677  0.000000       8.567658 
1 1 1 -18 -37 51 o 22.918  8.2806  83.584     59.071   0.0000     0.0000   83.584     59.071   ?       ?       22.918  8.2806  0.000000       8.280585 
1 1 1 -18 -37 52 o 15.126  6.9558  -14.4257   58.600   0.0000     0.0000   -14.4257   58.600   ?       ?       15.126  6.9558  0.000000       6.955806 
1 1 1 -18 -37 53 o 18.849  8.2625  28.145     72.322   141.901    159.825  -1.1453    81.100   26.232  11.837  17.907  8.2155  8.324926       14.40875 
1 1 1 -18 -37 54 o 34.206  9.3682  203.688    80.042   203.466    149.904  203.776    94.666   29.023  12.296  32.483  10.520  -3.459759      16.18227 
1 1 1 -18 -37 55 o 19.592  8.2040  44.579     65.487   -75.4625   133.148  82.883     75.212   18.952  9.2036  22.900  9.0839  -3.947441      12.93152 
1 1 1 -18 -37 56 o 30.453  8.0707  149.021    60.595   175.658    126.776  141.134    68.985   28.411  11.607  28.699  8.9431  -0.2878895     14.65269 
1 1 1 -18 -37 57 o 17.501  7.4148  27.597     54.511   79.970     120.530  14.130     61.118   23.449  10.453  17.094  7.5409  6.354771       12.88924 
1 1 1 -18 -37 58 o 19.869  8.9642  27.562     91.613   160.097    259.951  8.7661     97.893   26.302  12.793  19.374  8.9385  6.927935       15.60619 
1 1 1 -18 -37 59 o 19.486  8.8648  22.469     91.866   303.903    265.360  -15.8532   97.921   28.382  13.581  18.267  8.5956  10.11545       16.07284 
1 1 1 -18 -37 60 o 33.715  11.104  243.954    105.289  11.222     283.327  281.243    113.411  23.460  11.746  35.753  11.508  -12.29297      16.44379 
1 1 1 -18 -36 1  o 21.502  7.0619  69.771     42.595   169.295    95.075   44.778     47.644   29.394  10.519  18.599  7.2755  10.79587       12.78991 
1 1 1 -18 -36 2  o 12.441  5.6439  -10.2860   36.907   -56.6746   80.937   1.8921     41.470   15.648  7.4912  14.065  6.2078  1.582945       9.729073 
1 1 1 -18 -36 3  o 16.846  6.6017  33.250     39.281   39.979     94.138   31.832     43.223   20.831  9.2655  17.013  6.8399  3.818737       11.51671 
1 1 1 -18 -36 4  o 23.943  7.0511  86.832     43.726   143.741    92.309   70.368     49.649   27.754  10.298  21.625  7.6160  6.129337       12.80819 
1 1 1 -18 -36 5  o 22.553  7.0515  76.130     42.848   101.755    89.919   68.602     48.737   24.742  9.8944  21.493  7.5475  3.249681       12.44444 
1 1 1 -18 -36 6  o 16.145  6.5494  24.973     40.016   -167.0497  91.536   70.341     44.493   13.875  6.9044  21.810  7.2201  -7.934598      9.990047 
1 1 1 -18 -36 7  o 19.658  6.8917  53.739     40.628   -21.7143   92.579   71.736     45.214   18.356  8.5458  22.066  7.2771  -3.709410      11.22436 
1 1 1 -18 -36 8  o 25.880  8.2918  104.606    58.931   73.888     90.067   127.601    77.926   23.318  9.6804  27.616  9.5524  -4.298134      13.59992 
1 1 1 -18 -36 9  o 14.708  6.8152  -26.8837   57.827   -43.4523   199.857  -25.3698   60.411   23.677  11.444  15.117  6.9910  8.560537       13.41019 
1 1 1 -18 -36 10 o 41.675  8.5042  265.515    83.083   414.011    226.042  242.319    89.337   38.206  15.541  38.596  9.5834  -0.3908272     18.25834 
1 1 1 -18 -36 11 f 30.987  8.9189  151.837    70.679   -5.4744    205.724  172.890    75.260   25.126  12.005  32.948  9.1091  -7.822067      15.06983 
1 1 1 -18 -36 12 o 41.449  4.9058  226.224    48.381   237.148    111.774  223.706    53.669   36.304  11.395  40.769  5.5712  -4.464863      12.68425 
1 1 1 -18 -36 13 o 26.138  6.1790  95.385     38.571   104.905    94.687   93.490     42.233   26.312  10.267  25.618  6.7132  0.6933441      12.26663 
1 1 1 -18 -36 14 o 32.631  5.6519  143.976    43.128   182.935    101.314  135.354    47.662   32.683  10.899  31.107  6.5231  1.575712       12.70176 
1 1 1 -18 -36 15 o 23.165  7.0774  76.036     43.447   94.677     97.578   71.427     48.523   25.880  10.321  22.553  7.5427  3.326965       12.78360 
1 1 1 -18 -36 16 o 17.359  6.7714  31.248     41.181   60.406     93.943   24.312     45.818   23.554  9.8414  17.127  6.9853  6.426535       12.06844 
1 1 1 -18 -36 17 o 31.719  6.4515  139.117    47.962   -45.8977   103.817  189.321    54.079   19.164  8.9641  37.299  6.1927  -18.13472      10.89515 
1 1 1 -18 -36 18 o 50.875  4.8172  335.325    58.757   277.755    111.849  357.268    69.053   40.988  11.012  51.994  5.5597  -11.00570      12.33559 
1 1 1 -18 -36 19 o 20.161  8.1129  41.042     60.868   94.947     124.502  24.112     69.774   27.063  11.320  19.616  8.3527  7.446770       14.06832 
1 1 1 -18 -36 20 o 63.043  6.2525  532.992    94.381   476.696    167.821  559.035    114.143  51.295  13.353  63.205  7.5948  -11.90993      15.36205 
1 1 1 -18 -36 21 o 35.817  8.5283  189.151    73.052   347.904    137.790  127.082    86.157   44.804  12.300  28.805  10.040  15.99852       15.87731 
1 1 1 -18 -36 22 o 42.012  7.7175  249.876    75.772   186.092    145.002  273.836    88.871   32.790  12.730  43.136  8.7892  -10.34615      15.46911 
1 1 1 -18 -36 23 o 29.066  6.9645  118.372    48.474   155.299    96.477   105.901    56.065   31.255  10.635  27.076  7.9872  4.178553       13.30013 
1 1 1 -18 -36 24 f 20.591  7.1784  55.191     44.049   -33.6724   90.695   82.623     50.391   18.624  8.5963  24.236  7.6572  -5.612301      11.51214 
1 1 1 -18 -36 25 o 27.518  7.0919  106.542    47.650   66.923     92.816   120.721    55.526   24.313  9.9321  28.994  7.7457  -4.680300      12.59531 
1 1 1 -18 -36 26 o 21.484  7.4261  61.191     47.092   163.538    90.316   22.976     55.187   32.250  10.258  18.189  7.5665  14.06086       12.74662 
1 1 1 -18 -36 27 o 24.202  7.4490  82.173     48.028   71.273     92.944   86.144     56.099   24.630  9.9850  24.702  8.1039  -0.7196236E-01 12.85975 
1 1 1 -18 -36 28 o 26.127  7.3679  96.627     48.729   113.572    95.573   90.674     56.644   27.840  10.449  25.240  8.1338  2.600012       13.24157 
1 1 1 -18 -36 29 o 23.527  7.5917  77.011     49.333   77.396     95.941   76.872     57.520   25.182  10.167  23.651  8.2054  1.530857       13.06518 
1 1 1 -18 -36 30 o 32.658  6.7830  147.586    51.992   63.574     97.520   180.948    61.454   24.333  10.085  35.924  7.2991  -11.59184      12.44917 
1 1 1 -18 -36 31 o 33.600  6.6673  155.489    52.439   175.729    101.422  148.104    61.263   32.931  10.901  32.034  7.9252  0.8966522      13.47738 
1 1 1 -18 -36 32 o 29.290  7.4472  122.202    53.044   36.887     100.576  155.078    62.433   22.892  9.8918  32.771  7.9360  -9.879536      12.68178 
1 1 1 -18 -36 33 o 41.263  6.0472  228.447    58.748   82.769     108.834  288.350    69.790   25.963  10.698  46.180  6.4004  -20.21733      12.46601 
1 1 1 -18 -36 34 o 63.255  4.7648  515.218    72.594   496.265    128.748  524.052    87.900   57.452  9.5726  62.921  5.8235  -5.469051      11.20483 
1 1 1 -18 -36 35 o 19.623  8.2648  27.400     67.086   -135.1411  131.137  85.015     78.076   18.909  9.1713  24.914  9.4237  -6.004948      13.14989 
1 1 1 -18 -36 36 o 47.018  7.7860  314.318    85.718   275.989    151.838  332.247    103.849  38.001  13.323  46.772  9.4753  -8.771534      16.34893 
1 1 1 -18 -36 37 o 18.660  8.0792  14.209     67.361   183.530    136.495  -40.3057   77.450   32.268  12.399  16.793  7.8174  15.47537       14.65745 
1 1 1 -18 -36 38 o 14.358  7.0821  -152.1576  88.662   -152.1576  88.662   0.0000     0.0000   14.358  7.0821  ?       ?       0.000000       7.082134 
1 1 1 -18 -36 39 o 16.494  7.9469  -96.4516   94.550   -96.4516   94.550   0.0000     0.0000   16.494  7.9469  ?       ?       0.000000       7.946890 
1 1 1 -18 -36 40 o 56.813  5.0239  422.214    68.541   502.771    126.921  389.048    81.438   57.254  9.4670  53.338  6.4216  3.915867       11.43946 
1 1 1 -18 -36 41 o 25.389  7.1874  93.125     46.277   37.996     113.491  104.119    50.682   23.112  10.232  26.673  7.5114  -3.561153      12.69285 
1 1 1 -18 -36 42 o 38.927  5.8741  206.025    53.756   287.526    119.531  185.363    60.186   40.047  11.620  35.993  7.1437  4.054707       13.63987 
1 1 1 -18 -36 43 o 22.397  8.0429  70.865     55.630   11.920     166.132  78.309     59.039   24.288  11.354  23.266  8.2930  1.021952       14.06018 
1 1 1 -18 -36 44 o 28.052  8.9442  124.736    68.632   331.726    191.727  94.314     73.503   36.681  14.518  24.899  9.1990  11.78152       17.18736 
1 1 1 -18 -36 45 o 26.434  8.3780  108.306    60.288   53.697     176.373  115.531    64.152   25.460  11.834  27.107  8.6478  -1.646961      14.65664 
1 1 1 -18 -36 46 o 11.405  5.3522  -29.7428   37.528   -39.9720   105.275  -28.2537   40.167   18.828  8.8757  11.965  5.5900  6.862892       10.48931 
1 1 1 -18 -36 47 o 12.514  5.7311  -16.7823   39.228   -12.9989   109.082  -17.3443   42.041   19.964  9.2882  12.939  5.9285  7.024894       11.01899 
1 1 1 -18 -36 48 o 18.225  7.1543  39.341     46.199   293.208    121.997  -3.1593    49.917   38.432  11.879  14.989  6.7011  23.44301       13.63898 
1 1 1 -18 -36 49 o 17.863  7.1432  35.930     46.864   0.0000     0.0000   35.930     46.864   ?       ?       17.863  7.1432  0.000000       7.143178 
1 1 1 -18 -36 50 o 14.684  6.4082  5.8033     43.072   0.0000     0.0000   5.8033     43.072   ?       ?       14.684  6.4082  0.000000       6.408156 
1 1 1 -18 -36 51 o 32.118  8.3340  165.960    65.507   0.0000     0.0000   165.960    65.507   ?       ?       32.118  8.3340  0.000000       8.333970 
1 1 1 -18 -36 52 o 18.851  7.6492  42.147     54.598   31.968     116.477  45.014     61.809   21.559  9.8742  19.519  8.0543  2.040224       12.74254 
1 1 1 -18 -36 53 o 19.068  7.5860  45.897     52.593   -68.1419   112.485  77.803     59.497   17.944  8.6511  22.427  8.2781  -4.482533      11.97371 
1 1 1 -18 -36 54 o 26.710  9.2195  123.156    72.572   212.380    140.921  90.952     84.662   30.211  12.278  23.730  9.5614  6.480930       15.56174 
1 1 1 -18 -36 55 o 19.294  8.2548  36.340     68.737   -25.2826   131.043  59.731     80.736   20.309  9.6698  21.482  9.0582  -1.172472      13.24974 
1 1 1 -18 -36 56 f 35.141  7.8463  191.746    65.210   154.618    131.115  203.949    75.166   27.509  11.568  35.191  8.8202  -7.682228      14.54734 
1 1 1 -18 -36 57 o 32.727  7.9284  168.230    62.296   265.185    132.025  140.462    70.656   34.219  12.377  28.671  9.0680  5.547499       15.34342 
1 1 1 -18 -36 58 o 31.825  8.0282  161.137    61.989   235.572    130.750  139.554    70.405   32.077  12.180  28.491  9.0563  3.585861       15.17804 
1 1 1 -18 -36 59 o 35.152  11.124  249.128    106.323  281.074    282.660  243.863    114.750  28.536  13.747  33.738  11.596  -5.202024      17.98465 
1 1 1 -18 -36 60 o 32.371  11.131  221.111    105.727  624.139    283.936  156.234    113.919  35.374  15.886  27.128  11.034  8.246143       19.34213 
1 1 1 -18 -36 61 o 24.094  10.247  109.743    104.774  110.230    277.879  109.662    113.124  24.659  12.230  24.064  10.444  0.5952148      16.08281 
1 1 1 -18 -35 1  o 32.852  6.0881  153.526    46.743   195.228    101.453  142.288    52.666   31.561  10.900  30.699  7.1957  0.8623447      13.06128 
1 1 1 -18 -35 2  o 15.633  6.3546  22.836     37.757   23.782     87.545   22.620     41.849   19.858  8.8765  16.048  6.6252  3.810110       11.07636 
1 1 1 -18 -35 3  o 15.197  6.3496  16.675     39.106   69.252     101.730  7.5586     42.361   23.079  9.9605  14.782  6.4036  8.296301       11.84132 
1 1 1 -18 -35 4  o 12.038  5.5450  -19.0070   37.457   -144.2625  86.108   10.226     41.599   13.887  6.8734  14.959  6.4115  -1.071716      9.399531 
1 1 1 -18 -35 5  o 23.887  6.9566  83.879     42.773   55.584     96.248   90.843     47.747   22.446  9.6878  24.627  7.3962  -2.180813      12.18847 
1 1 1 -18 -35 6  o 21.119  7.0827  63.431     42.786   152.173    96.477   41.704     47.737   29.365  10.587  18.741  7.2961  10.62417       12.85734 
1 1 1 -18 -35 7  o 29.232  6.7421  122.670    46.845   131.126    114.933  120.986    51.299   27.778  11.159  28.627  7.3481  -0.8493385     13.36075 
1 1 1 -18 -35 8  o 17.551  6.1940  39.411     32.856   120.635    93.077   27.849     35.117   27.273  10.296  16.192  6.2704  11.08112       12.05493 
1 1 1 -18 -35 9  o 21.548  7.6045  64.147     49.525   46.084     99.396   70.113     57.120   22.652  9.8107  22.428  8.1367  0.2235508      12.74584 
1 1 1 -18 -35 10 o 34.174  9.0355  181.480    76.066   208.916    208.722  177.279    81.684   32.083  14.051  33.284  9.5905  -1.200825      17.01182 
1 1 1 -18 -35 11 o 24.505  8.6900  86.804     64.748   56.038     201.498  90.347     68.374   27.378  12.699  24.907  8.9196  2.471481       15.51850 
1 1 1 -18 -35 12 f 21.488  8.1313  58.405     58.145   -176.2437  145.067  103.317    63.466   18.898  9.2691  26.370  8.6181  -7.471888      12.65653 
1 1 1 -18 -35 13 o 20.537  6.6891  57.073     38.247   42.126     148.188  58.139     39.588   25.443  11.447  20.722  6.8081  4.720747       13.31876 
1 1 1 -18 -35 14 o 45.129  4.6742  263.045    50.441   304.404    110.558  252.173    56.684   43.652  10.554  43.706  5.4645  -0.5426788E-01 11.88510 
1 1 1 -18 -35 15 o 16.547  6.3099  28.904     35.184   30.063     92.339   28.707     38.055   21.897  9.4699  16.835  6.5253  5.061361       11.50040 
1 1 1 -18 -35 16 o 35.328  5.0568  163.314    42.110   170.608    81.028   160.616    49.288   33.343  9.5354  34.477  6.1158  -1.133678      11.32812 
1 1 1 -18 -35 17 o 67.178  4.2531  572.853    68.969   627.227    125.170  549.149    82.646   66.930  7.8569  64.995  5.2864  1.935402       9.469793 
1 1 1 -18 -35 18 o 11.732  5.4633  -28.9247   37.879   11.886     85.241   -38.9664   42.283   20.425  8.9614  11.959  5.6338  8.466029       10.58517 
1 1 1 -18 -35 19 o 32.391  6.2589  142.221    47.410   125.680    92.736   148.074    55.164   28.950  10.386  32.567  7.1747  -3.617279      12.62291 
1 1 1 -18 -35 20 f 56.181  6.5580  423.891    87.716   482.098    157.405  397.674    105.639  53.928  12.302  52.716  8.5518  1.211575       14.98206 
1 1 1 -18 -35 21 o 64.320  6.2841  549.777    96.821   551.585    171.322  548.928    117.360  57.489  12.627  62.777  7.8782  -5.287945      14.88323 
1 1 1 -18 -35 22 o 60.430  6.5163  488.447    94.036   402.132    168.250  527.659    113.402  47.093  13.821  61.699  7.7456  -14.60650      15.84319 
1 1 1 -18 -35 23 o 31.791  8.7260  148.145    69.355   214.312    131.381  122.582    81.660   35.591  12.398  28.789  9.7842  6.802185       15.79365 
1 1 1 -18 -35 24 o 19.512  7.2610  44.338     45.960   -58.7688   89.455   81.316     53.571   17.619  8.2667  24.248  7.9175  -6.629126      11.44660 
1 1 1 -18 -35 25 o 17.908  7.1546  28.526     46.968   18.652     90.967   32.115     54.844   21.432  9.3337  19.066  7.6909  2.365206       12.09412 
1 1 1 -18 -35 26 o 16.146  6.7529  13.589     44.296   29.344     86.816   8.0438     51.505   21.728  9.2861  16.637  7.1324  5.091637       11.70911 
1 1 1 -18 -35 27 o 23.914  7.4580  78.969     47.965   33.031     93.137   95.551     55.956   22.443  9.6055  26.005  8.0464  -3.562176      12.53041 
1 1 1 -18 -35 28 o 19.236  7.3316  40.701     47.485   -0.9424    91.894   55.872     55.464   20.467  9.1253  21.442  7.9772  -0.9757061     12.12049 
1 1 1 -18 -35 29 o 27.539  7.4882  106.803    51.357   45.629     97.575   130.243    60.400   23.497  9.9358  30.133  8.0906  -6.635242      12.81316 
1 1 1 -18 -35 30 f 34.668  6.7983  164.588    55.143   153.268    100.412  169.476    65.984   31.429  10.845  34.459  8.0389  -3.030655      13.49943 
1 1 1 -18 -35 31 o 99.133  4.2279  1239.08    101.697  1270.02    167.220  1220.92    128.112  96.817  7.1692  97.063  5.4619  -0.2464981     9.012733 
1 1 1 -18 -35 32 o 64.183  4.7487  527.126    73.428   657.521    127.515  462.437    89.814   68.904  7.7622  58.884  6.3886  10.01954       10.05311 
1 1 1 -18 -35 33 o 56.753  4.9047  414.297    66.877   377.797    117.569  431.757    81.314   49.989  10.042  57.203  5.9453  -7.214046      11.66960 
1 1 1 -18 -35 34 o 20.088  7.4399  48.374     48.138   -19.4167   95.126   71.710     55.811   19.793  9.0109  23.114  8.0790  -3.320583      12.10236 
1 1 1 -18 -35 35 o 18.832  7.2594  38.046     46.900   15.395     96.092   45.129     53.735   21.549  9.4831  20.138  7.7682  1.411770       12.25865 
1 1 1 -18 -35 36 o 62.853  12.852  669.604    189.389  669.604    189.389  0.0000     0.0000   62.853  12.852  ?       ?       0.000000       12.85196 
1 1 1 -18 -35 37 o 31.920  12.696  168.653    147.294  168.653    147.294  0.0000     0.0000   31.920  12.696  ?       ?       0.000000       12.69641 
1 1 1 -18 -35 38 o 29.986  12.164  138.128    138.032  138.128    138.032  0.0000     0.0000   29.986  12.164  ?       ?       0.000000       12.16410 
1 1 1 -18 -35 39 o 56.587  5.3239  418.841    72.240   509.668    130.328  378.558    86.793   58.220  9.5574  52.452  6.9939  5.768341       11.84312 
1 1 1 -18 -35 40 o 28.833  6.7321  116.301    46.243   269.214    110.769  84.025     50.890   40.369  11.006  24.297  7.6970  16.07152       13.43045 
1 1 1 -18 -35 41 o 22.286  7.2492  69.076     44.925   119.474    109.025  58.768     49.305   28.014  10.992  21.123  7.5733  6.891249       13.34875 
1 1 1 -18 -35 42 o 17.709  6.8322  34.141     41.569   67.763     103.928  27.738     45.354   24.436  10.289  17.400  7.0027  7.035540       12.44592 
1 1 1 -18 -35 43 f 31.621  8.7174  153.085    69.040   280.011    175.876  129.963    75.066   36.139  14.022  28.792  9.3709  7.347153       16.86533 
1 1 1 -18 -35 44 o 30.896  8.3500  144.777    64.086   -207.4538  173.874  200.151    68.940   19.958  9.8578  36.843  7.9454  -16.88466      12.66122 
1 1 1 -18 -35 45 o 18.629  7.6128  33.149     54.557   65.583     172.182  29.529     57.521   26.252  12.017  18.582  7.7270  7.670483       14.28685 
1 1 1 -18 -35 46 o 26.303  6.9432  100.302    44.963   13.646     117.008  115.314    48.702   21.912  9.9825  28.119  7.1285  -6.206875      12.26641 
1 1 1 -18 -35 47 o 12.295  5.6554  -19.7275   38.772   -55.4013   107.533  -14.3969   41.568   18.600  8.8279  13.130  5.9693  5.470078       10.65669 
1 1 1 -18 -35 48 o 9.8824  4.8180  -59.2872   37.488   0.0000     0.0000   -59.2872   37.488   ?       ?       9.8824  4.8180  0.000000       4.818018 
1 1 1 -18 -35 49 o 12.737  5.9229  -26.3428   44.272   0.0000     0.0000   -26.3428   44.272   ?       ?       12.737  5.9229  0.000000       5.922872 
1 1 1 -18 -35 50 o 14.935  6.4747  7.3787     43.375   0.0000     0.0000   7.3787     43.375   ?       ?       14.935  6.4747  0.000000       6.474699 
1 1 1 -18 -35 51 o 13.724  6.3436  -22.1240   49.644   42.248     116.130  -36.5179   54.914   22.302  10.075  13.688  6.4397  8.614267       11.95685 
1 1 1 -18 -35 52 o 32.857  7.8258  166.975    61.498   -24.2613   118.829  236.934    71.872   19.874  9.3870  39.402  7.7937  -19.52820      12.20070 
1 1 1 -18 -35 53 o 22.854  8.1145  80.470     56.472   218.827    111.900  33.190     65.413   32.836  11.442  18.953  8.0792  13.88352       14.00668 
1 1 1 -18 -35 54 o 21.336  8.6127  62.195     68.831   281.576    135.780  -13.6778   79.851   35.368  12.580  17.443  8.0564  17.92537       14.93839 
1 1 1 -18 -35 55 o 27.314  9.2567  127.417    73.091   95.683     140.452  139.202    85.594   25.004  11.205  27.844  9.9789  -2.840153      15.00453 
1 1 1 -18 -35 56 o 17.126  7.2584  22.977     52.266   -108.0752  126.576  49.914     57.387   18.054  8.8133  19.823  7.9123  -1.768904      11.84394 
1 1 1 -18 -35 57 o 18.774  7.7135  38.645     56.387   -16.4065   120.670  54.023     63.778   20.230  9.5261  20.499  8.2849  -0.2688026     12.62477 
1 1 1 -18 -35 58 o 18.581  7.5142  39.807     52.496   -98.9585   119.329  73.107     58.457   17.736  8.6358  22.066  8.1934  -4.330334      11.90416 
1 1 1 -18 -35 59 o 89.395  8.0968  1233.95    173.721  67.316     360.887  1585.81    198.194  26.340  13.198  101.260 8.1353  -74.91956      15.50408 
1 1 1 -18 -35 60 o 27.218  10.815  146.977    106.772  111.587    276.875  153.159    115.723  25.966  12.750  27.367  11.125  -1.400995      16.92091 
1 1 1 -18 -35 61 o 34.870  11.609  263.716    114.974  159.060    293.391  282.704    124.970  26.041  12.852  35.136  12.100  -9.094625      17.65171 
1 1 1 -18 -34 1  o 13.027  5.7428  -1.3635    35.388   108.961    81.806   -26.7615   39.251   25.634  9.6580  11.846  5.5315  13.78750       11.12993 
1 1 1 -18 -34 2  o 23.461  6.8640  80.671     41.557   63.075     91.933   85.189     46.589   22.666  9.6175  23.890  7.3338  -1.224699      12.09466 
1 1 1 -18 -34 3  f 29.551  6.4561  124.450    44.997   82.837     95.627   136.284    50.996   24.208  10.006  30.558  7.0247  -6.350599      12.22569 
1 1 1 -18 -34 4  o 21.682  7.0762  67.154     42.793   22.800     93.080   79.041     48.188   20.760  9.2245  23.221  7.5041  -2.461109      11.89129 
1 1 1 -18 -34 5  o 14.482  6.2332  6.0778     39.617   127.176    102.895  -14.9992   42.927   27.732  10.735  13.353  6.0690  14.37928       12.33188 
1 1 1 -18 -34 6  o 38.049  5.5070  194.469    49.364   219.121    107.683  187.910    55.544   35.194  11.202  36.750  6.4651  -1.556190      12.93334 
1 1 1 -18 -34 7  o 48.277  4.4167  300.745    51.164   442.190    108.663  260.454    57.995   54.716  8.4576  44.169  5.5328  10.54708       10.10657 
1 1 1 -18 -34 8  o 25.431  5.6146  88.063     33.719   -71.5243   96.828   110.087    35.970   17.521  8.3337  28.627  5.3760  -11.10590      9.917218 
1 1 1 -18 -34 9  o 41.178  4.7753  220.517    46.827   182.387    110.858  228.798    51.662   32.687  11.388  41.688  5.2219  -9.001331      12.52851 
1 1 1 -18 -34 10 o 53.761  6.0510  386.800    77.560   380.695    121.587  390.989    100.712  49.017  10.536  52.108  8.2394  -3.090771      13.37554 
1 1 1 -18 -34 11 o 43.536  7.8201  269.166    79.571   281.602    185.004  266.343    88.140   37.333  14.410  42.454  8.8435  -5.121395      16.90768 
1 1 1 -18 -34 12 o 28.029  8.5501  115.226    63.445   5.8723     145.874  140.738    70.458   24.356  11.115  30.685  8.9262  -6.329409      14.25577 
1 1 1 -18 -34 13 o 47.620  7.4137  314.477    82.875   419.500    175.499  284.336    94.018   47.208  14.180  43.859  9.1315  3.349346       16.86618 
1 1 1 -18 -34 14 f 46.845  4.8847  283.057    54.705   100.764    167.751  304.751    57.869   29.260  12.709  48.566  4.9813  -19.30622      13.65034 
1 1 1 -18 -34 15 o 66.846  3.9697  562.719    64.098   618.630    112.458  535.816    78.009   67.649  6.9499  64.522  5.0224  3.127754       8.574734 
1 1 1 -18 -34 16 o 51.669  5.0140  344.139    62.070   407.151    95.899   298.712    81.426   54.427  7.4579  46.515  7.4671  7.911312       10.55352 
1 1 1 -18 -34 17 o 48.127  4.3698  294.493    50.473   354.640    92.238   268.785    60.302   50.556  7.7677  45.306  5.6050  5.250137       9.578802 
1 1 1 -18 -34 18 o 17.248  6.7857  27.586     41.647   54.508     83.317   18.618     48.086   23.218  9.4389  17.126  7.0885  6.091988       11.80422 
1 1 1 -18 -34 19 f 50.154  4.7847  322.086    57.522   320.959    107.233  322.541    68.157   46.462  9.8193  49.616  5.7691  -3.154774      11.38867 
1 1 1 -18 -34 20 o 18.995  7.0159  41.620     42.751   68.115     85.608   32.818     49.344   24.415  9.6894  18.647  7.3702  5.767546       12.17392 
1 1 1 -18 -34 21 o 19.103  7.9401  24.588     60.697   229.268    123.990  -39.9225   69.609   37.414  12.032  16.166  7.4863  21.24742       14.17051 
1 1 1 -18 -34 22 o 79.718  5.9838  830.245    114.899  703.904    199.027  893.400    140.717  65.516  12.979  81.445  7.1946  -15.92937      14.83959 
1 1 1 -18 -34 23 o 65.368  6.3368  564.017    99.244   742.503    176.396  481.352    120.047  70.332  10.672  58.313  8.7549  12.01959       13.80321 
1 1 1 -18 -34 24 o 49.742  7.4460  338.099    87.105   344.576    158.880  335.315    104.153  44.472  13.522  48.133  9.2540  -3.661247      16.38574 
1 1 1 -18 -34 25 o 16.475  6.8703  14.443     45.658   -38.9886   87.771   34.265     53.460   18.382  8.4749  19.229  7.6488  -0.8466568     11.41610 
1 1 1 -18 -34 26 f 19.314  7.3207  40.841     47.179   5.4346     88.100   55.077     55.864   20.608  9.0742  21.502  8.0046  -0.8947563     12.10020 
1 1 1 -18 -34 27 o 16.517  6.8219  16.707     44.397   43.201     88.600   7.8241     51.303   22.922  9.5657  16.669  7.1315  6.253317       11.93153 
1 1 1 -18 -34 28 o 46.038  5.3550  274.785    58.702   269.230    104.174  277.369    71.057   42.190  10.272  45.515  6.6289  -3.324451      12.22546 
1 1 1 -18 -34 29 o 51.629  5.0263  342.386    62.167   353.043    107.360  337.010    76.252   49.376  9.3024  50.395  6.3786  -1.019951      11.27930 
1 1 1 -18 -34 30 o 80.389  4.3342  815.674    84.229   854.941    141.151  793.959    104.965  79.450  7.4073  78.342  5.5579  1.107796       9.260614 
1 1 1 -18 -34 31 o 43.484  5.6735  247.519    58.435   297.297    106.787  226.243    69.815   44.493  10.120  40.574  7.3627  3.919666       12.51482 
1 1 1 -18 -34 32 o 16.836  7.0597  14.344     48.599   41.603     89.196   2.8357     57.957   22.815  9.5652  17.139  7.4574  5.675140       12.12874 
1 1 1 -18 -34 33 o 47.264  5.3466  289.855    60.237   177.167    109.605  338.622    72.103   33.537  11.336  50.735  5.9713  -17.19857      12.81224 
1 1 1 -18 -34 34 o 10.053  4.9581  -87.5881   43.412   -290.1506  87.102   -20.6392   50.075   11.714  5.9390  14.427  6.5564  -2.713908      8.846328 
1 1 1 -18 -34 35 o 26.336  10.583  83.927     103.409  83.927     103.409  0.0000     0.0000   26.336  10.583  ?       ?       0.000000       10.58263 
1 1 1 -18 -34 36 o 41.370  10.796  268.211    109.519  268.211    109.519  0.0000     0.0000   41.370  10.796  ?       ?       0.000000       10.79581 
1 1 1 -18 -34 37 o 76.758  11.820  935.606    213.080  935.606    213.080  0.0000     0.0000   76.758  11.820  ?       ?       0.000000       11.82008 
1 1 1 -18 -34 38 o 43.220  9.7165  281.073    99.420   79.470     152.456  430.243    131.141  27.902  12.117  52.867  10.592  -24.96588      16.09435 
1 1 1 -18 -34 39 o 36.005  7.8623  184.430    66.763   220.233    142.964  174.445    75.501   35.447  12.871  34.260  8.9750  1.186558       15.69092 
1 1 1 -18 -34 40 o 22.934  7.1722  72.603     44.325   46.216     106.880  78.084     48.711   23.898  10.261  23.685  7.5333  0.2121868      12.72919 
1 1 1 -18 -34 41 o 32.285  6.5224  143.218    49.336   258.642    114.505  116.905    54.671   39.469  11.350  28.521  7.7139  10.94742       13.72312 
1 1 1 -18 -34 42 o 62.624  4.5586  502.860    68.793   535.955    137.324  491.772    79.485   59.299  9.8926  61.271  5.4017  -1.972305      11.27133 
1 1 1 -18 -34 43 o 35.434  6.0400  170.130    50.068   193.393    118.626  165.088    55.229   33.388  11.771  34.395  6.8583  -1.007061      13.62304 
1 1 1 -18 -34 44 o 21.534  8.3277  56.904     61.873   188.307    172.975  37.625     66.256   31.980  13.357  20.188  8.3355  11.79139       15.74478 
1 1 1 -18 -34 45 o 50.590  7.0550  357.999    84.244   296.668    213.418  369.319    91.690   35.747  14.876  50.802  7.6779  -15.05533      16.74039 
1 1 1 -18 -34 46 o 16.175  7.1282  1.3076     54.475   -50.4084   169.761  7.2440     57.516   23.033  10.978  16.952  7.4013  6.080673       13.23954 
1 1 1 -18 -34 47 o 20.032  7.3893  52.130     47.392   0.0000     0.0000   52.130     47.392   ?       ?       20.032  7.3893  0.000000       7.389331 
1 1 1 -18 -34 48 o 18.933  7.3307  42.423     47.989   0.0000     0.0000   42.423     47.989   ?       ?       18.933  7.3307  0.000000       7.330712 
1 1 1 -18 -34 49 o 21.645  7.6021  66.613     49.445   0.0000     0.0000   66.613     49.445   ?       ?       21.645  7.6021  0.000000       7.602122 
1 1 1 -18 -34 50 o 14.848  6.4529  5.4929     43.297   -32.2340   113.628  11.901     46.830   19.689  9.2631  15.828  6.7937  3.861209       11.48735 
1 1 1 -18 -34 51 o 9.9424  4.8166  -50.8503   35.901   -11.3450   79.990   -60.8155   40.175   17.794  8.1620  10.290  5.0104  7.504192       9.577150 
1 1 1 -18 -34 52 o 38.226  8.3700  228.036    75.482   272.146    125.096  202.781    94.654   36.428  12.109  33.438  10.485  2.990070       16.01733 
1 1 1 -18 -34 53 o 27.392  8.0332  117.835    56.861   80.832     118.240  128.966    64.852   24.197  10.587  28.160  8.6540  -3.962889      13.67378 
1 1 1 -18 -34 54 o 58.446  6.9895  494.987    97.154   687.287    154.163  368.298    125.129  63.328  10.393  44.094  11.556  19.23448       15.54204 
1 1 1 -18 -34 55 o 30.637  9.4068  160.153    76.645   52.788     153.926  195.550    88.381   23.991  11.118  33.161  10.086  -9.170116      15.01101 
1 1 1 -18 -34 56 o 32.593  9.8105  185.168    83.937   255.708    162.059  159.308    98.123   32.457  13.176  29.242  10.656  3.215071       16.94537 
1 1 1 -18 -34 57 o 86.318  5.0737  994.245    105.797  950.726    197.651  1011.72    125.251  72.071  11.704  85.411  6.0834  -13.34018      13.19062 
1 1 1 -18 -34 58 o 23.576  8.2774  86.014     58.618   138.293    135.327  73.940     65.036   27.190  11.606  22.399  8.5699  4.790720       14.42742 
1 1 1 -18 -34 59 o 18.971  8.7084  -1.3519    91.303   75.160     262.436  -11.8880   97.387   26.250  12.787  18.960  8.8061  7.289570       15.52571 
1 1 1 -18 -34 60 o 13.252  6.5780  -143.2233  81.050   -2.7805    270.560  -157.0689  84.951   24.822  12.267  13.348  6.6435  11.47427       13.95044 
1 1 1 -18 -34 61 o 17.649  8.3278  -30.4266   93.092   28.836     355.485  -34.7899   96.458   25.516  12.827  17.745  8.4043  7.770611       15.33498 
1 1 1 -18 -33 1  o 21.520  6.8259  66.124     40.013   27.446     88.083   76.181     44.915   20.624  9.0775  22.859  7.2299  -2.235460      11.60485 
1 1 1 -18 -33 2  o 18.340  6.7106  42.518     38.971   109.213    88.467   26.458     43.411   26.300  10.011  16.888  6.8318  9.411829       12.12013 
1 1 1 -18 -33 3  o 16.506  6.5488  26.654     39.096   17.312     86.848   29.028     43.784   20.237  8.9550  17.246  6.9016  2.990410       11.30592 
1 1 1 -18 -33 4  o 15.931  6.4725  20.880     39.148   55.854     90.751   12.884     43.393   22.883  9.6239  15.691  6.6298  7.192513       11.68650 
1 1 1 -18 -33 5  o 36.493  5.6398  178.792    48.328   267.291    104.289  154.591    54.537   40.350  10.537  33.039  7.0196  7.311409       12.66151 
1 1 1 -18 -33 6  o 25.268  6.0459  87.931     36.571   96.805     89.878   86.171     40.035   26.031  10.045  24.813  6.5526  1.217672       11.99344 
1 1 1 -18 -33 7  o 53.301  4.1689  361.796    53.487   376.300    112.801  357.590    60.751   49.651  9.7110  52.579  4.8154  -2.927769      10.83938 
1 1 1 -18 -33 8  o 28.396  5.4859  107.844    36.430   136.944    97.126   103.079    39.299   29.653  10.630  27.493  6.0549  2.159645       12.23315 
1 1 1 -18 -33 9  o 66.648  4.1625  562.667    66.977   900.151    133.163  448.376    77.492   81.656  6.7823  58.534  5.5214  23.12169       8.745623 
1 1 1 -18 -33 10 o 50.547  4.4313  325.854    53.800   357.918    117.137  317.281    60.566   48.305  10.308  49.477  5.1190  -1.172947      11.50923 
1 1 1 -18 -33 11 o 19.282  7.4736  39.242     49.919   72.150     86.348   22.722     61.179   24.595  9.7406  18.908  7.9242  5.687952       12.55677 
1 1 1 -18 -33 12 o 58.055  6.5920  450.744    91.213   594.591    182.503  402.850    105.308  59.628  12.982  53.378  8.4091  6.249756       15.46781 
1 1 1 -18 -33 13 f 99.358  6.0320  1291.95    144.733  1580.01    252.056  1150.26    176.781  103.311 10.188  91.163  8.0755  12.14737       13.00017 
1 1 1 -18 -33 14 o 64.188  6.2831  543.837    96.603   560.627    179.872  537.031    114.520  58.021  13.088  62.556  7.7079  -4.534660      15.18919 
1 1 1 -18 -33 15 o 7.4247  3.6762  -55.5257   24.723   -201.4227  118.016  -48.8292   25.284   16.601  8.1853  7.8753  3.8641  8.726154       9.051530 
1 1 1 -18 -33 16 o 63.517  3.9656  506.383    60.812   573.157    107.229  474.725    73.833   65.518  6.8462  60.869  5.0445  4.649174       8.503973 
1 1 1 -18 -33 17 o 33.109  5.3549  143.309    41.550   184.863    76.927   126.193    49.370   35.747  8.9027  30.377  6.8603  5.370346       11.23928 
1 1 1 -18 -33 18 o 28.914  5.7829  111.130    39.154   10.057     73.598   151.028    46.241   19.500  8.4439  33.795  5.8509  -14.29547      10.27286 
1 1 1 -18 -33 19 o 32.650  6.2531  142.634    47.735   213.842    92.958   117.132    55.630   37.840  9.9808  28.930  7.7632  8.910452       12.64452 
1 1 1 -18 -33 20 o 27.520  6.9047  103.736    46.029   151.700    88.179   85.772     53.965   31.954  10.133  25.012  7.9264  6.942156       12.86478 
1 1 1 -18 -33 21 o 65.287  4.3698  537.767    68.825   438.470    118.993  587.684    84.369   55.506  9.1544  67.752  5.1712  -12.24577      10.51403 
1 1 1 -18 -33 22 o 16.152  7.2984  -19.9658   60.997   -126.7943  113.022  23.938     72.456   18.039  8.6907  20.355  8.5819  -2.315882      12.21383 
1 1 1 -18 -33 23 o 57.973  6.6918  445.919    92.402   387.529    160.150  475.057    113.132  48.107  13.283  58.692  8.1652  -10.58542      15.59195 
1 1 1 -18 -33 24 o 84.215  6.0218  921.960    122.237  882.173    204.750  943.993    152.369  76.296  11.411  83.615  7.5929  -7.319763      13.70595 
1 1 1 -18 -33 25 o 19.272  7.4612  37.596     49.710   -79.0167   124.958  59.520     54.182   20.616  9.7037  21.965  7.9315  -1.349291      12.53277 
1 1 1 -18 -33 26 o 24.532  7.5655  82.073     49.514   67.948     92.810   87.693     58.541   25.049  10.040  25.331  8.2769  -0.2814674     13.01168 
1 1 1 -18 -33 27 o 89.239  4.1946  997.624    90.826   925.297    148.481  1040.87    114.812  82.931  7.4587  90.205  5.2685  -7.274284      9.131745 
1 1 1 -18 -33 28 o 60.706  4.6990  467.798    68.675   421.335    119.382  490.778    83.958   54.209  9.4180  61.570  5.6840  -7.361450      11.00033 
1 1 1 -18 -33 29 o 19.489  7.3863  41.137     48.025   75.064     93.628   29.024     55.945   25.594  10.141  19.076  7.7422  6.517174       12.75834 
1 1 1 -18 -33 30 o 60.893  4.6183  470.088    67.729   431.419    116.363  489.899    83.291   55.204  8.9972  61.532  5.6415  -6.328171      10.61957 
1 1 1 -18 -33 31 o 20.535  7.5193  49.921     48.943   120.515    97.486   26.131     56.593   29.208  10.625  18.886  7.7399  10.32224       13.14497 
1 1 1 -18 -33 32 o 35.638  6.7669  171.601    56.376   101.052    103.222  201.591    67.300   27.850  10.760  38.277  7.5145  -10.42698      13.12431 
1 1 1 -18 -33 33 o 37.297  6.6122  186.869    57.648   -3.5928    102.971  273.817    69.573   21.576  9.6368  45.368  6.5064  -23.79190      11.62765 
1 1 1 -18 -33 34 o 25.792  10.156  79.143     93.360   79.143     93.360   0.0000     0.0000   25.792  10.156  ?       ?       0.000000       10.15560 
1 1 1 -18 -33 35 o 60.659  8.8784  520.443    126.806  520.443    126.806  0.0000     0.0000   60.659  8.8784  ?       ?       0.000000       8.878368 
1 1 1 -18 -33 36 o 16.827  8.0130  -85.3276   90.052   -85.3276   90.052   0.0000     0.0000   16.827  8.0130  ?       ?       0.000000       8.013035 
1 1 1 -18 -33 37 f 79.156  6.8053  835.231    129.434  806.905    197.732  856.469    171.214  71.975  11.726  77.272  9.3198  -5.297409      14.97866 
1 1 1 -18 -33 38 o 92.098  6.0104  1108.94    133.576  1303.26    222.902  1000.06    166.855  94.403  9.8774  84.881  8.2038  9.522034       12.83997 
1 1 1 -18 -33 39 o 50.535  7.0325  346.295    83.894   467.333    166.253  304.945    97.173   52.501  13.095  45.851  9.0556  6.649780       15.92091 
1 1 1 -18 -33 40 o 11.827  5.3245  -12.1638   32.121   -94.0323   95.978   -1.8377    34.087   17.077  8.1706  13.108  5.7110  3.968656       9.968648 
1 1 1 -18 -33 41 o 53.609  4.8053  369.020    61.843   492.379    127.272  330.890    70.758   57.965  9.3685  50.027  5.9457  7.938934       11.09598 
1 1 1 -18 -33 42 o 57.744  4.6931  427.392    65.186   667.901    129.706  346.118    75.400   69.170  7.8682  50.906  6.2346  18.26422       10.03888 
1 1 1 -18 -33 43 o 27.557  7.0683  106.786    47.491   93.750     113.699  109.540    52.269   26.907  10.992  27.700  7.5638  -0.7931862     13.34324 
1 1 1 -18 -33 44 o 59.158  6.5974  474.552    93.088   635.681    208.695  434.531    104.008  57.165  14.896  55.304  7.9819  1.861061       16.89941 
1 1 1 -18 -33 45 o 11.606  5.6280  -71.0765   49.302   -22.6010   163.620  -75.9172   51.705   24.018  11.240  11.807  5.7340  12.21082       12.61854 
1 1 1 -18 -33 46 o 32.952  8.9482  166.330    73.392   0.0000     0.0000   166.330    73.392   ?       ?       32.952  8.9482  0.000000       8.948236 
1 1 1 -18 -33 47 o 16.552  6.8928  18.711     45.865   0.0000     0.0000   18.711     45.865   ?       ?       16.552  6.8928  0.000000       6.892762 
1 1 1 -18 -33 48 o 21.704  7.6723  65.035     50.432   0.0000     0.0000   65.035     50.432   ?       ?       21.704  7.6723  0.000000       7.672345 
1 1 1 -18 -33 49 o 18.276  7.1410  37.324     45.857   -15.7914   117.473  46.873     49.809   20.893  9.6928  19.573  7.4971  1.320658       12.25391 
1 1 1 -18 -33 50 o 16.244  6.6648  21.768     42.025   21.023     91.286   21.968     47.340   20.576  9.1393  16.850  7.0085  3.726486       11.51723 
1 1 1 -18 -33 51 o 13.192  5.9395  -9.6589    39.975   -119.9629  88.971   18.240     44.745   14.922  7.3064  16.165  6.7759  -1.242694      9.964745 
1 1 1 -18 -33 52 o 19.009  7.6218  40.929     53.513   187.124    119.482  4.2447     59.852   30.941  11.669  16.734  7.4181  14.20740       13.82715 
1 1 1 -18 -33 53 o 14.024  6.4384  -18.8972   49.923   -59.2970   116.760  -9.8591    55.226   18.933  9.0458  15.272  6.9185  3.661740       11.38829 
1 1 1 -18 -33 54 f 27.618  8.4473  121.526    61.874   215.762    130.819  94.370     70.226   32.048  12.180  24.472  9.0000  7.575102       15.14436 
1 1 1 -18 -33 55 o 35.538  9.4382  210.748    82.758   325.561    163.669  171.310    95.924   36.675  13.692  30.562  10.597  6.112326       17.31324 
1 1 1 -18 -33 56 o 12.197  5.9026  -67.1977   53.576   -250.5803  132.589  -31.4137   58.570   15.934  7.9864  14.482  6.7606  1.451644       10.46364 
1 1 1 -18 -33 57 o 38.142  7.4163  215.468    66.165   290.372    143.842  195.366    74.517   36.252  12.942  34.915  8.7992  1.337601       15.65000 
1 1 1 -18 -33 58 o 10.522  5.1880  -87.2315   47.435   -220.5286  122.817  -63.8616   51.425   15.702  7.8427  12.017  5.8072  3.685674       9.758682 
1 1 1 -18 -33 59 o 15.736  7.5697  -74.0353   84.949   246.250    290.811  -103.9141  88.823   29.876  14.274  15.210  7.4158  14.66528       16.08575 
1 1 1 -18 -33 60 o 30.808  10.823  180.365    100.226  144.250    330.517  184.023    105.178  27.820  13.713  30.804  11.059  -2.983343      17.61703 
1 1 1 -18 -33 61 o 18.217  8.4463  -12.2604   89.000   0.0000     0.0000   -12.2604   89.000   ?       ?       18.217  8.4463  0.000000       8.446285 
1 1 1 -18 -33 62 o 24.804  10.310  109.084    102.348  -11.9328   365.720  119.368    106.607  25.141  12.685  25.416  10.540  -0.2749329     16.49255 
1 1 1 -18 -32 1  o 13.745  5.8857  5.2601     35.000   30.948     80.781   -0.6764    38.834   20.633  8.8905  13.825  6.0576  6.807804       10.75808 
1 1 1 -18 -32 2  o 27.053  6.6262  103.255    43.151   135.269    105.587  96.837     47.279   28.821  10.945  25.914  7.2399  2.906700       13.12294 
1 1 1 -18 -32 3  o 38.273  5.2801  193.795    47.729   267.686    101.446  172.788    54.089   40.837  10.253  35.348  6.5475  5.488861       12.16525 
1 1 1 -18 -32 4  o 29.422  6.4346  119.743    44.657   23.568     96.976   145.626    50.309   21.763  9.5531  32.417  6.6199  -10.65358      11.62256 
1 1 1 -18 -32 5  o 45.986  4.5771  271.969    50.393   386.251    115.050  244.839    56.056   50.436  9.7539  43.091  5.4858  7.345322       11.19073 
1 1 1 -18 -32 6  o 47.870  4.3216  292.193    49.655   271.911    104.746  298.073    56.395   41.662  10.395  48.022  4.9089  -6.359856      11.49618 
1 1 1 -18 -32 7  o 45.407  4.4187  263.206    48.067   368.902    111.927  239.305    53.225   49.779  9.6147  42.861  5.2261  6.918457       10.94326 
1 1 1 -18 -32 8  o 85.521  4.0091  918.152    83.192   977.890    153.678  893.388    98.944   84.473  7.5784  83.548  4.9022  0.9244385      9.025729 
1 1 1 -18 -32 9  o 52.340  4.2953  347.189    54.069   240.168    117.813  375.745    60.856   38.467  11.633  54.257  4.6680  -15.79066      12.53441 
1 1 1 -18 -32 10 o 24.370  6.1441  80.385     36.322   -182.3015  110.286  112.344    38.468   16.246  7.9910  29.083  5.6550  -12.83670      9.789537 
1 1 1 -18 -32 11 o 41.253  4.6888  217.797    46.100   213.566    100.065  218.937    51.941   37.279  10.574  41.056  5.3404  -3.776463      11.84627 
1 1 1 -18 -32 12 o 43.865  6.5692  256.907    67.767   352.121    104.433  187.654    89.065   49.677  8.9952  35.399  9.9535  14.27792       13.41589 
1 1 1 -18 -32 13 o 19.272  7.7316  32.374     55.099   10.150     122.455  38.015     61.697   23.763  10.569  20.408  8.1836  3.354563       13.36665 
1 1 1 -18 -32 14 o 57.715  6.3509  438.396    87.467   478.375    164.455  422.626    103.287  54.471  12.680  55.534  7.8867  -1.062778      14.93267 
1 1 1 -18 -32 15 o 45.425  7.2266  279.007    76.984   437.084    144.371  216.201    91.002   53.311  11.499  38.303  9.7627  15.00742       15.08427 
1 1 1 -18 -32 16 o 37.139  5.4806  179.545    47.904   437.647    135.179  142.477    51.229   54.229  10.653  32.467  6.7241  21.76194       12.59791 
1 1 1 -18 -32 17 o 112.876 3.9847  1589.86    109.134  1690.59    176.110  1527.07    139.051  113.783 6.4049  109.529 5.2322  4.254349       8.270346 
1 1 1 -18 -32 18 o 60.629  3.9794  460.334    58.216   590.199    102.760  398.954    70.647   67.113  6.3874  55.762  5.2845  11.35175       8.290033 
1 1 1 -18 -32 19 o 21.255  6.4526  59.763     36.198   74.461     68.329   54.030     42.678   24.330  8.8882  20.689  7.0731  3.640337       11.35910 
1 1 1 -18 -32 20 o 48.367  4.8930  298.324    56.633   265.572    103.740  312.229    67.595   42.377  10.210  49.028  5.7940  -6.651886      11.73940 
1 1 1 -18 -32 21 o 19.723  7.1369  45.664     43.904   -11.1751   83.143   67.641     51.699   19.413  8.6660  22.847  7.7850  -3.433384      11.64925 
1 1 1 -18 -32 22 o 56.660  5.6994  414.767    77.292   424.282    109.069  405.168    109.547  55.477  8.3624  53.969  8.6581  1.507320       12.03712 
1 1 1 -18 -32 23 o 34.278  9.0789  168.554    76.710   206.645    143.347  153.269    90.806   36.117  12.917  32.318  10.286  3.798912       16.51239 
1 1 1 -18 -32 24 o 46.740  8.0445  300.053    87.941   167.680    150.497  368.688    108.367  33.651  12.995  51.155  9.0623  -17.50430      15.84287 
1 1 1 -18 -32 25 o 25.119  9.1364  80.403     72.085   181.651    130.674  36.114     86.425   34.441  12.331  22.567  9.4350  11.87430       15.52671 
1 1 1 -18 -32 26 o 35.593  6.2621  167.880    52.106   181.939    96.318   162.064    61.955   34.928  10.508  34.306  7.6390  0.6220589      12.99141 
1 1 1 -18 -32 27 o 39.356  5.9525  202.930    55.067   186.481    99.624   210.167    66.079   35.251  10.705  39.445  7.1682  -4.193607      12.88369 
1 1 1 -18 -32 28 o 55.135  4.8887  386.625    64.723   363.671    113.694  397.631    78.724   50.322  9.6627  55.317  5.9592  -4.995373      11.35253 
1 1 1 -18 -32 29 o 17.289  6.9748  22.595     45.112   51.159     88.242   12.488     52.490   23.712  9.6850  17.319  7.3033  6.392708       12.13006 
1 1 1 -18 -32 30 o 49.914  5.1478  319.062    61.452   288.146    109.578  333.246    74.222   44.053  10.415  50.450  6.1933  -6.396770      12.11775 
1 1 1 -18 -32 31 o 25.775  7.8442  91.116     53.446   183.760    95.680   49.098     64.437   35.058  10.457  21.721  8.4710  13.33618       13.45738 
1 1 1 -18 -32 32 o 71.141  4.5383  638.641    77.931   522.448    128.148  706.831    98.171   61.110  8.9041  74.206  5.4913  -13.09556      10.46121 
1 1 1 -18 -32 33 o 120.870 7.1866  1940.29    209.819  1940.29    209.819  0.0000     0.0000   120.870 7.1866  ?       ?       0.000000       7.186607 
1 1 1 -18 -32 34 o 24.232  9.9626  53.783     94.143   53.783     94.143   0.0000     0.0000   24.232  9.9626  ?       ?       0.000000       9.962634 
1 1 1 -18 -32 35 o 49.573  13.167  405.731    161.053  405.731    161.053  0.0000     0.0000   49.573  13.167  ?       ?       0.000000       13.16698 
1 1 1 -18 -32 36 o 56.941  5.2141  415.903    71.238   536.062    156.288  384.391    80.036   59.478  11.241  54.126  6.2064  5.351715       12.84083 
1 1 1 -18 -32 37 o 10.154  4.8509  -41.8473   33.556   21.668     95.322   -50.8320   35.851   22.271  9.6267  10.161  4.8952  12.10986       10.79984 
1 1 1 -18 -32 38 f 48.471  6.7932  314.323    77.701   225.609    150.584  346.514    90.710   36.772  13.230  50.316  7.6727  -13.54399      15.29369 
1 1 1 -18 -32 39 o 26.894  8.5429  101.690    62.657   175.486    143.365  84.266     69.662   33.457  12.742  25.169  9.0043  8.288330       15.60263 
1 1 1 -18 -32 40 o 26.623  8.3581  99.714     60.129   83.364     133.593  103.867    67.335   27.795  11.683  27.100  8.8779  0.6958218      14.67306 
1 1 1 -18 -32 41 o 54.929  4.7406  385.363    62.564   611.010    124.884  309.753    72.291   66.553  7.8869  48.277  6.3233  18.27581       10.10880 
1 1 1 -18 -32 42 o 82.568  4.3352  862.193    86.550   927.009    157.919  834.365    103.474  81.702  8.0715  80.388  5.3352  1.313934       9.675394 
1 1 1 -18 -32 43 o 43.392  5.4527  246.375    56.141   127.799    121.520  278.551    63.302   29.589  11.607  45.957  5.8063  -16.36750      12.97826 
1 1 1 -18 -32 44 o 38.801  5.8669  200.377    53.511   313.805    117.606  170.764    60.092   44.353  10.985  34.930  7.3241  9.422855       13.20302 
1 1 1 -18 -32 45 o 40.002  8.9655  237.684    84.866   0.0000     0.0000   237.684    84.866   ?       ?       40.002  8.9655  0.000000       8.965475 
1 1 1 -18 -32 46 o 28.909  8.9664  125.810    69.436   0.0000     0.0000   125.810    69.436   ?       ?       28.909  8.9664  0.000000       8.966371 
1 1 1 -18 -32 47 o 42.812  6.3996  249.970    64.439   0.0000     0.0000   249.970    64.439   ?       ?       42.812  6.3996  0.000000       6.399601 
1 1 1 -18 -32 48 o 19.668  7.1435  49.256     44.044   85.705     119.790  43.558     47.361   26.029  11.008  19.229  7.3237  6.799688       13.22146 
1 1 1 -18 -32 49 o 24.863  7.1903  89.105     45.839   59.867     94.393   98.128     52.437   23.327  9.8131  25.834  7.7492  -2.506823      12.50387 
1 1 1 -18 -32 50 o 10.868  5.1725  -39.9408   37.408   93.793     86.046   -71.1071   41.539   25.237  9.8037  10.195  4.9921  15.04197       11.00152 
1 1 1 -18 -32 51 o 33.576  6.6144  159.354    51.969   72.096     102.887  189.242    60.215   24.085  10.194  36.294  7.0919  -12.20967      12.41854 
1 1 1 -18 -32 52 o 17.663  7.4184  24.156     53.805   14.528     112.101  27.038     61.332   21.521  9.7915  18.577  7.8675  2.944004       12.56075 
1 1 1 -18 -32 53 o 11.513  5.6035  -72.4376   50.088   115.476    112.116  -119.2949  55.986   26.525  10.885  10.886  5.4140  15.63927       12.15703 
1 1 1 -18 -32 54 o 23.178  8.1239  80.340     56.452   269.695    125.721  32.520     63.180   36.713  12.136  19.031  8.0183  17.68154       14.54559 
1 1 1 -18 -32 55 o 19.075  8.2960  23.901     71.668   159.313    144.267  -20.4661   82.579   28.702  12.106  17.656  8.1684  11.04601       14.60402 
1 1 1 -18 -32 56 o 25.173  9.4269  100.871    77.706   254.332    152.987  47.515     90.208   33.593  13.066  21.699  9.3723  11.89418       16.07978 
1 1 1 -18 -32 57 o 20.480  8.1577  52.116     60.888   90.055     136.452  42.684     68.037   25.463  11.248  20.134  8.3907  5.328564       14.03314 
1 1 1 -18 -32 58 o 20.110  7.8641  50.986     55.649   147.605    136.356  31.677     60.956   28.256  11.836  18.803  7.8966  9.452974       14.22808 
1 1 1 -18 -32 59 o 30.606  8.2205  145.910    62.342   -8.4752    144.677  181.113    69.086   22.155  10.432  34.046  8.4118  -11.89124      13.40093 
1 1 1 -18 -32 60 o 18.285  8.4074  -10.7177   85.580   -207.5476  347.295  2.0069     88.303   24.761  12.477  19.090  8.6873  5.670622       15.20339 
1 1 1 -18 -32 61 o 19.497  8.8378  10.636     90.261   177.897    328.085  -3.0599    93.884   28.285  13.887  19.130  8.7998  9.154392       16.43997 
1 1 1 -18 -32 62 o 24.089  10.051  93.015     97.789   543.109    341.824  52.895     102.054  32.880  15.645  21.956  9.7121  10.92349       18.41410 
1 1 1 -18 -31 1  o 15.359  6.4943  10.772     41.685   -31.7067   91.480   21.903     46.829   18.606  8.6042  17.042  7.0190  1.564123       11.10395 
1 1 1 -18 -31 2  o 33.597  5.6011  150.708    44.052   110.312    95.095   161.745    49.707   27.381  10.390  34.517  6.1610  -7.136374      12.07913 
1 1 1 -18 -31 3  o 59.384  4.3366  449.107    62.054   455.105    120.397  446.937    72.413   55.486  9.2698  58.689  5.1368  -3.203590      10.59792 
1 1 1 -18 -31 4  o 33.074  5.1506  143.375    39.989   275.521    96.655   116.084    43.924   42.864  9.5390  29.136  6.3890  13.72733       11.48098 
1 1 1 -18 -31 5  o 31.789  5.4526  133.429    40.543   271.787    96.023   103.413    44.725   42.754  9.5027  27.365  6.7724  15.38845       11.66902 
1 1 1 -18 -31 6  o 52.405  4.1620  347.107    52.487   577.370    108.265  276.358    60.012   65.549  6.9112  46.049  5.4785  19.50038       8.819178 
1 1 1 -18 -31 7  o 67.610  4.0254  574.410    65.737   624.394    130.729  557.494    76.052   67.057  8.2058  66.146  4.7705  0.9111862      9.491751 
1 1 1 -18 -31 8  o 61.019  4.3174  470.139    63.510   439.302    151.406  476.723    69.962   52.470  12.134  61.199  4.7487  -8.728333      13.03035 
1 1 1 -18 -31 9  o 36.870  4.9200  175.031    42.918   97.651     100.565  192.263    47.456   27.504  10.622  38.541  5.2081  -11.03605      11.83043 
1 1 1 -18 -31 10 o 44.816  4.4360  254.676    47.604   192.047    99.603   273.217    54.195   35.539  10.684  46.216  4.9080  -10.67625      11.75783 
1 1 1 -18 -31 11 o 31.280  5.4574  128.109    39.915   121.529    92.009   129.635    44.300   29.308  10.363  31.220  6.0666  -1.912342      12.00796 
1 1 1 -18 -31 12 o 18.722  6.2004  44.194     32.812   62.262     65.596   38.164     37.893   23.002  8.6519  18.255  6.6266  4.747068       10.89805 
1 1 1 -18 -31 13 o 64.166  5.0408  524.439    77.850   466.037    108.302  586.879    111.983  58.583  7.8139  66.446  7.0537  -7.862743      10.52667 
1 1 1 -18 -31 14 o 34.123  8.0894  162.464    65.957   193.090    137.467  153.305    75.175   35.213  12.643  32.680  9.1289  2.532867       15.59466 
1 1 1 -18 -31 15 o 65.591  6.1382  559.312    96.554   477.126    170.449  598.146    117.165  54.503  13.060  66.922  7.3357  -12.41853      14.97893 
1 1 1 -18 -31 16 o 47.994  6.8164  305.751    77.150   192.352    140.965  354.242    92.181   35.267  12.784  51.169  7.6600  -15.90223      14.90343 
1 1 1 -18 -31 17 o 52.600  4.1340  347.151    52.337   363.528    93.058   339.574    63.296   51.900  7.6161  51.567  5.1266  0.3329201      9.180838 
1 1 1 -18 -31 18 o 45.677  4.3475  263.114    47.602   286.975    84.775   252.126    57.527   45.871  7.9019  44.221  5.4787  1.649143       9.615432 
1 1 1 -18 -31 19 o 57.912  4.1008  419.947    57.251   406.492    98.359   426.840    70.406   55.005  7.5704  57.925  5.0601  -2.920574      9.105774 
1 1 1 -18 -31 20 o 73.619  4.0578  676.893    72.206   616.893    117.471  713.328    91.540   68.221  7.2056  74.994  5.0602  -6.773186      8.804917 
1 1 1 -18 -31 21 o 87.310  4.0296  948.891    85.367   1027.28    141.223  903.754    107.163  88.774  6.6035  84.314  5.2645  4.459846       8.445175 
1 1 1 -18 -31 22 o 64.351  4.3396  519.581    67.363   533.341    113.977  512.195    83.510   63.143  7.5914  63.268  5.4944  -0.1253777     9.371102 
1 1 1 -18 -31 23 o 13.285  6.3862  -78.7117   60.183   -75.6128   110.445  -80.0204   71.776   19.630  9.2022  14.926  7.1203  4.703794       11.63524 
1 1 1 -18 -31 24 o 24.997  9.1107  77.819     71.732   100.498    128.491  67.550     86.459   29.360  11.797  24.962  9.7909  4.398066       15.33074 
1 1 1 -18 -31 25 o 30.592  9.4320  132.408    76.964   -22.8686   137.184  203.731    92.975   23.946  10.871  37.408  10.035  -13.46151      14.79450 
1 1 1 -18 -31 26 o 26.602  9.3979  92.971     75.657   109.839    135.597  85.346     91.168   30.195  12.124  26.608  10.155  3.587154       15.81449 
1 1 1 -18 -31 27 o 71.983  4.2466  648.673    73.842   651.434    127.735  647.287    90.495   69.787  7.6700  71.320  5.2666  -1.532730      9.304147 
1 1 1 -18 -31 28 o 89.177  4.1190  990.943    89.127   1153.97    149.256  900.596    111.111  94.149  6.5749  84.013  5.4806  10.13580       8.559585 
1 1 1 -18 -31 29 o 77.875  4.3053  759.760    81.035   872.315    135.209  696.669    101.229  81.505  6.9017  73.687  5.7063  7.817871       8.955169 
1 1 1 -18 -31 30 o 54.422  4.9912  376.543    65.175   318.517    113.093  405.398    79.750   46.766  10.249  55.953  5.9661  -9.186245      11.85932 
1 1 1 -18 -31 31 o 49.472  5.2151  313.060    61.659   147.422    110.391  388.166    74.335   31.969  11.346  54.898  5.6618  -22.92823      12.68004 
1 1 1 -18 -31 32 o 46.131  9.7218  305.842    105.387  305.842    105.387  0.0000     0.0000   46.131  9.7218  ?       ?       0.000000       9.721769 
1 1 1 -18 -31 33 o 49.051  9.7954  345.909    112.500  345.909    112.500  0.0000     0.0000   49.051  9.7954  ?       ?       0.000000       9.795363 
1 1 1 -18 -31 34 o 66.774  5.5178  571.961    88.598   562.367    128.104  580.758    122.666  63.977  8.4598  65.524  7.8731  -1.546711      11.55657 
1 1 1 -18 -31 35 o 27.049  7.4066  100.352    50.036   1.6466     99.691   133.591    57.851   21.749  9.6107  31.077  7.7092  -9.327711      12.32065 
1 1 1 -18 -31 36 f 65.364  4.2634  536.626    67.247   546.714    128.702  532.838    78.870   62.815  8.6758  64.683  5.0657  -1.868290      10.04642 
1 1 1 -18 -31 37 o 25.613  6.4292  88.455     39.895   84.904     102.351  89.091     43.321   26.883  10.618  25.609  6.8417  1.273159       12.63136 
1 1 1 -18 -31 38 o 23.105  8.0207  68.862     54.963   32.546     125.205  77.531     61.173   25.159  10.954  24.321  8.4606  0.8381577      13.84081 
1 1 1 -18 -31 39 o 29.031  8.3381  118.797    61.833   108.187    132.936  121.726    69.849   29.498  11.948  29.233  8.9808  0.2651768      14.94651 
1 1 1 -18 -31 40 o 53.971  6.5919  386.052    84.530   387.645    158.610  385.421    99.900   48.236  13.178  52.893  8.0369  -4.656639      15.43536 
1 1 1 -18 -31 41 o 48.781  7.1117  321.079    81.700   280.954    186.286  330.634    90.909   39.452  14.631  48.943  7.9262  -9.490379      16.63996 
1 1 1 -18 -31 42 o 69.903  4.8319  622.631    81.452   1102.15    217.093  544.069    87.872   85.977  10.633  64.759  5.6487  21.21745       12.04035 
1 1 1 -18 -31 43 o 45.399  5.2253  266.831    56.510   310.124    127.698  256.289    63.016   43.861  11.759  44.022  6.0602  -0.1612015     13.22845 
1 1 1 -18 -31 44 o 16.826  6.9262  18.939     45.569   0.0000     0.0000   18.939     45.569   ?       ?       16.826  6.9262  0.000000       6.926222 
1 1 1 -18 -31 45 o 37.885  8.7214  209.510    78.510   0.0000     0.0000   209.510    78.510   ?       ?       37.885  8.7214  0.000000       8.721374 
1 1 1 -18 -31 46 o 56.235  7.6981  441.435    102.283  0.0000     0.0000   441.435    102.283  ?       ?       56.235  7.6981  0.000000       7.698114 
1 1 1 -18 -31 47 o 32.437  8.9565  158.434    72.814   222.644    189.712  147.341    78.853   34.277  14.124  30.950  9.5477  3.326992       17.04797 
1 1 1 -18 -31 48 o 28.565  6.7152  114.190    45.759   149.348    97.488   104.255    51.822   30.437  10.675  26.884  7.6042  3.553097       13.10675 
1 1 1 -18 -31 49 o 33.335  6.4078  153.399    49.947   274.208    95.452   107.850    58.611   42.042  9.5716  26.989  8.2147  15.05382       12.61332 
1 1 1 -18 -31 50 o 20.119  7.1840  53.154     44.324   196.226    97.349   15.737     49.783   34.154  10.621  16.750  7.0907  17.40365       12.77004 
1 1 1 -18 -31 51 o 18.864  7.1342  42.950     44.742   103.039    94.066   25.381     50.864   26.135  10.223  17.636  7.2942  8.499540       12.55859 
1 1 1 -18 -31 52 o 20.043  7.1330  53.912     43.661   189.353    95.725   18.333     49.062   33.115  10.564  16.766  7.0650  16.34944       12.70833 
1 1 1 -18 -31 53 o 21.448  8.2374  61.090     60.231   33.543     130.105  68.604     67.952   23.289  10.578  22.440  8.7134  0.8493729      13.70429 
1 1 1 -18 -31 54 o 18.899  7.6512  37.950     54.493   158.305    121.708  7.7742     60.942   29.292  11.576  17.161  7.5520  12.13121       13.82144 
1 1 1 -18 -31 55 o 22.863  8.7881  74.503     68.587   -65.1874   145.451  114.447    77.778   20.780  9.9728  26.555  9.5128  -5.774752      13.78227 
1 1 1 -18 -31 56 o 10.908  5.4241  -119.1395  56.089   76.412     132.612  -161.7440  61.898   24.933  11.048  10.672  5.3635  14.26101       12.28107 
1 1 1 -18 -31 57 o 21.269  8.0306  61.687     56.633   47.981     150.189  63.959     61.147   24.402  11.189  21.660  8.3043  2.742098       13.93436 
1 1 1 -18 -31 58 o 29.533  8.4943  136.663    64.130   37.573     161.792  155.133    69.852   24.509  11.372  31.217  8.8278  -6.707952      14.39636 
1 1 1 -18 -31 59 o 15.923  7.0507  1.2827     53.924   49.144     135.156  -7.7784    58.808   23.932  10.834  15.923  7.1833  8.008750       12.99932 
1 1 1 -18 -31 60 o 18.674  8.5665  -9.4190    88.146   146.314    321.950  -22.0386   91.647   28.903  14.098  18.416  8.5498  10.48774       16.48762 
1 1 1 -18 -31 61 o 17.177  8.1364  -48.5627   90.458   -467.9600  354.543  -19.3605   93.554   22.917  11.655  18.564  8.6253  4.352400       14.49944 
1 1 1 -18 -31 62 f 18.656  8.5212  0.1836     85.953   -213.2383  331.808  15.535     88.991   23.954  12.085  19.612  8.8430  4.341074       14.97522 
1 1 1 -18 -30 1  o 41.431  6.3062  231.257    61.395   247.387    121.889  225.774    71.069   38.200  11.885  40.077  7.5862  -1.877407      14.09974 
1 1 1 -18 -30 2  o 36.284  6.8424  180.439    58.031   156.415    117.595  188.172    66.721   31.488  11.635  36.493  7.7732  -5.005392      13.99266 
1 1 1 -18 -30 3  o 27.985  5.3244  103.479    34.833   123.538    92.017   100.124    37.634   29.019  10.352  27.307  5.8557  1.712152       11.89356 
1 1 1 -18 -30 4  o 28.113  5.3810  104.330    35.369   115.136    89.691   102.340    38.488   28.405  10.211  27.628  5.9196  0.7767277      11.80301 
1 1 1 -18 -30 5  o 22.208  5.9725  66.181     32.883   113.654    80.173   56.579     36.055   28.252  9.6938  20.694  6.4682  7.558527       11.65361 
1 1 1 -18 -30 6  o 13.232  5.3533  11.344     26.658   -21.7620   85.582   14.901     28.053   19.035  8.6189  13.935  5.5415  5.099872       10.24665 
1 1 1 -18 -30 7  o 42.162  4.5308  225.954    45.624   123.083    104.744  250.041    50.684   29.650  10.976  44.256  4.7967  -14.60579      11.97825 
1 1 1 -18 -30 8  o 19.794  6.3006  50.717     34.068   35.485     166.536  51.382     34.804   27.716  12.326  19.926  6.3710  7.789658       13.87505 
1 1 1 -18 -30 9  o 33.941  5.1426  148.940    41.025   164.206    90.321   144.971    46.049   33.368  10.206  33.151  5.9432  0.2172699      11.81034 
1 1 1 -18 -30 10 o 21.994  6.3971  64.352     36.190   178.837    83.730   38.051     40.132   35.104  9.5682  18.477  6.8024  16.62694       11.73978 
1 1 1 -18 -30 11 o 67.705  3.8660  571.746    63.248   625.107    110.537  545.772    77.120   68.995  6.6867  65.618  4.8786  3.377670       8.277231 
1 1 1 -18 -30 12 o 46.129  4.2211  267.740    46.722   238.062    84.988   280.594    55.932   41.168  8.7763  46.907  4.9910  -5.738472      10.09619 
1 1 1 -18 -30 13 o 84.028  3.8481  877.208    78.457   828.449    131.909  903.900    97.596   79.376  6.9181  84.646  4.7713  -5.269722      8.403886 
1 1 1 -18 -30 14 o 71.302  4.8811  642.904    83.939   714.294    114.394  559.626    123.551  74.100  6.4260  64.285  8.1008  9.815331       10.34001 
1 1 1 -18 -30 15 o 53.985  6.3887  380.362    82.062   529.141    148.828  315.369    98.367   60.524  10.516  47.620  8.8386  12.90367       13.73693 
1 1 1 -18 -30 16 f 51.199  6.3962  342.273    77.727   364.759    141.148  332.488    93.117   48.857  11.995  49.491  8.0293  -0.6338234     14.43415 
1 1 1 -18 -30 17 o 71.346  5.8711  653.641    100.736  689.537    170.160  634.272    124.993  69.470  10.416  69.034  7.5872  0.4357834      12.88627 
1 1 1 -18 -30 18 f 68.338  3.9071  581.321    64.516   607.180    109.421  567.540    79.878   68.221  6.6966  67.011  4.9476  1.209488       8.326073 
1 1 1 -18 -30 19 o 64.472  3.9629  517.839    61.694   584.256    105.019  482.840    76.236   67.043  6.5390  61.700  5.1390  5.343422       8.316706 
1 1 1 -18 -30 20 o 40.426  4.7057  207.175    45.295   238.728    80.905   192.770    54.665   41.746  8.2797  38.447  6.0605  3.298569       10.26071 
1 1 1 -18 -30 21 o 44.644  4.9937  253.304    53.166   162.413    85.292   311.064    67.992   33.737  9.8230  49.151  5.8138  -15.41363      11.41450 
1 1 1 -18 -30 22 f 23.232  7.3372  70.747     46.271   139.118    85.673   42.591     54.979   31.423  9.9903  20.508  7.8715  10.91549       12.71876 
1 1 1 -18 -30 23 o 39.899  5.5231  204.863    52.037   161.209    92.881   224.833    62.822   33.522  10.366  41.419  6.4619  -7.896988      12.21495 
1 1 1 -18 -30 24 o 17.302  7.6967  -13.3127   64.980   -13.6736   120.665  -13.1653   77.117   23.187  10.389  18.841  8.3828  4.346500       13.34909 
1 1 1 -18 -30 25 o 44.375  7.3531  262.600    76.400   241.304    149.717  270.099    88.838   39.358  13.249  44.341  8.5672  -4.982853      15.77743 
1 1 1 -18 -30 26 o 36.567  8.5498  185.300    74.501   282.184    145.574  150.920    86.718   42.468  12.951  32.581  10.006  9.886898       16.36591 
1 1 1 -18 -30 27 o 48.174  7.4263  309.291    84.016   217.619    159.219  344.666    98.907   37.640  13.596  50.310  8.3985  -12.67000      15.98042 
1 1 1 -18 -30 28 o 41.964  5.8605  227.964    58.045   322.377    100.496  180.701    71.104   48.287  8.9054  36.208  8.2742  12.07952       12.15599 
1 1 1 -18 -30 29 o 68.843  4.4668  594.191    74.212   671.573    125.418  552.500    92.058   71.319  7.3530  65.628  5.8421  5.690468       9.391358 
1 1 1 -18 -30 30 o 75.834  4.4158  720.243    80.901   592.286    132.438  796.411    102.181  66.067  8.4556  79.187  5.3494  -13.12020      10.00571 
1 1 1 -18 -30 31 o 63.632  8.1011  545.859    122.243  545.859    122.243  0.0000     0.0000   63.632  8.1011  ?       ?       0.000000       8.101136 
1 1 1 -18 -30 32 o 48.249  9.4565  328.375    106.749  328.375    106.749  0.0000     0.0000   48.249  9.4565  ?       ?       0.000000       9.456452 
1 1 1 -18 -30 33 o 44.120  6.9774  258.733    72.210   251.049    109.764  264.596    95.880   41.103  10.848  43.178  9.4169  -2.074833      14.36478 
1 1 1 -18 -30 34 o 73.905  4.3396  684.526    77.478   705.908    134.781  673.973    94.686   72.592  7.7729  72.698  5.4065  -0.1060028     9.468299 
1 1 1 -18 -30 35 o 82.659  4.0635  850.916    81.499   1036.82    146.226  767.142    98.158   88.972  6.8254  77.672  5.2390  11.30070       8.604229 
1 1 1 -18 -30 36 o 54.432  4.5736  374.021    59.846   553.321    122.926  318.323    68.513   63.851  8.1179  49.601  5.8023  14.24984       9.978351 
1 1 1 -18 -30 37 o 67.967  4.2243  578.953    69.321   747.095    132.501  515.586    81.342   74.908  7.3861  63.528  5.3261  11.37995       9.106106 
1 1 1 -18 -30 38 o 34.968  7.6676  167.991    63.266   233.798    112.611  137.641    76.476   39.158  11.254  31.031  9.3697  8.126711       14.64407 
1 1 1 -18 -30 39 o 31.879  7.9454  141.351    61.241   129.978    133.816  144.364    68.877   31.069  12.182  31.927  8.6681  -0.8580170     14.95135 
1 1 1 -18 -30 40 o 15.183  6.6325  -2.9339    46.248   -132.7835  129.463  16.060     49.515   19.534  9.3839  17.235  7.1682  2.299425       11.80849 
1 1 1 -18 -30 41 o 39.581  5.6197  204.015    52.456   311.685    154.087  189.901    55.788   43.120  13.354  37.845  6.2966  5.275753       14.76416 
1 1 1 -18 -30 42 o 8.4292  4.2245  -101.8710  37.054   -0.0035    153.771  -108.1506  38.179   25.520  11.554  8.4595  4.2463  17.06039       12.31002 
1 1 1 -18 -30 43 o 16.508  6.9160  13.085     46.571   0.0000     0.0000   13.085     46.571   ?       ?       16.508  6.9160  0.000000       6.915958 
1 1 1 -18 -30 44 o 28.218  7.5937  111.407    53.137   0.0000     0.0000   111.407    53.137   ?       ?       28.218  7.5937  0.000000       7.593726 
1 1 1 -18 -30 45 o 20.840  7.4431  54.263     47.581   0.0000     0.0000   54.263     47.581   ?       ?       20.840  7.4431  0.000000       7.443105 
1 1 1 -18 -30 46 o 26.724  8.6182  102.140    63.582   -239.4119  179.277  151.283    68.003   20.623  10.153  32.230  8.5537  -11.60607      13.27571 
1 1 1 -18 -30 47 o 22.656  8.1942  67.068     57.865   224.609    124.419  23.586     65.365   36.341  12.076  19.330  8.1506  17.01117       14.56905 
1 1 1 -18 -30 48 o 11.674  5.4696  -32.7689   38.923   -29.9078   84.031   -33.5504   43.918   18.098  8.3249  12.533  5.8518  5.564567       10.17581 
1 1 1 -18 -30 49 o 23.063  7.3296  74.374     46.119   136.638    93.389   54.292     53.037   29.471  10.438  20.882  7.7943  8.588499       13.02708 
1 1 1 -18 -30 50 o 22.658  7.2914  71.934     45.531   37.610     98.190   81.335     51.389   22.488  9.7454  23.880  7.7525  -1.392555      12.45288 
1 1 1 -18 -30 51 o 36.165  6.3993  180.490    54.100   262.184    105.375  151.250    63.042   39.682  10.700  31.883  8.1254  7.798975       13.43535 
1 1 1 -18 -30 52 o 26.719  7.1664  103.352    47.419   205.779    100.515  74.030     53.780   34.607  10.797  22.828  7.9334  11.77896       13.39817 
1 1 1 -18 -30 53 o 18.985  7.7804  34.871     57.187   88.021     119.560  19.104     65.119   25.619  10.922  18.478  7.9720  7.141085       13.52185 
1 1 1 -18 -30 54 o 18.662  7.6636  33.299     55.625   -69.7768   130.408  56.223     61.500   19.934  9.5338  21.095  8.2622  -1.161306      12.61574 
1 1 1 -18 -30 55 o 13.228  6.2155  -37.5359   50.883   -188.2032  124.725  -7.4526    55.732   16.666  8.2529  15.617  7.0238  1.048843       10.83716 
1 1 1 -18 -30 56 o 27.778  9.7412  127.025    81.171   25.802     171.813  156.109    92.097   24.605  11.516  30.041  10.385  -5.436356      15.50724 
1 1 1 -18 -30 57 o 23.495  9.0712  79.102     73.323   106.336    160.789  71.951     82.389   27.013  12.055  23.208  9.4036  3.805151       15.28924 
1 1 1 -18 -30 58 o 12.863  6.0719  -40.9121   49.577   133.958    147.095  -63.3228   52.658   28.090  12.048  12.314  5.9325  15.77534       13.42963 
1 1 1 -18 -30 59 o 21.772  8.1037  65.424     57.253   -49.6418   147.744  85.756     62.106   21.488  10.241  23.976  8.5100  -2.487930      13.31552 
1 1 1 -18 -30 60 o 27.610  10.824  129.896    105.632  105.757    362.208  132.140    110.432  29.037  14.321  27.742  11.006  1.294964       18.06190 
1 1 1 -18 -30 61 o 40.698  11.108  298.654    112.752  700.158    354.158  253.368    118.941  38.879  17.575  36.119  11.798  2.760139       21.16769 
1 1 1 -18 -30 62 o 22.226  9.4776  58.978     90.070   -240.8918  339.035  81.749     93.427   24.224  12.221  23.769  9.8627  0.4558353      15.70464 
1 1 1 -18 -29 1  o 10.808  5.1255  -39.1485   36.103   92.614     84.205   -68.8260   39.963   26.278  9.8185  10.129  4.9464  16.14814       10.99408 
1 1 1 -18 -29 2  o 52.295  5.5806  355.352    69.718   670.486    141.886  255.049    80.048   69.109  8.6509  42.747  8.0119  26.36148       11.79104 
1 1 1 -18 -29 3  o 20.458  5.8522  55.567     30.516   -61.1910   98.139   68.065     32.108   18.649  8.7209  22.556  5.8258  -3.906231      10.48780 
1 1 1 -18 -29 4  o 28.009  5.5508  103.512    36.391   123.260    89.678   99.620     39.817   29.408  10.243  27.246  6.1665  2.162251       11.95606 
1 1 1 -18 -29 5  o 25.783  5.8249  88.471     35.581   183.450    81.612   66.181     39.536   35.592  9.3346  22.280  6.7391  13.31263       11.51307 
1 1 1 -18 -29 6  o 33.832  4.8731  147.054    38.849   150.070    87.755   146.318    43.326   32.076  10.102  33.492  5.5240  -1.416687      11.51340 
1 1 1 -18 -29 7  o 15.900  5.7889  27.654     28.949   -123.1314  84.276   47.826     30.825   15.063  7.3165  19.238  5.9753  -4.175186      9.446435 
1 1 1 -18 -29 8  o 40.802  4.5476  211.088    44.256   181.052    97.825   218.818    49.625   34.958  10.607  41.348  5.0514  -6.389790      11.74796 
1 1 1 -18 -29 9  o 67.094  3.9535  561.652    64.077   554.222    119.451  564.653    75.925   64.162  7.8355  66.892  4.7079  -2.729523      9.141074 
1 1 1 -18 -29 10 o 33.515  4.9086  144.061    38.734   198.289    74.165   123.723    45.420   37.820  8.3090  30.488  6.3462  7.331835       10.45532 
1 1 1 -18 -29 11 o 63.152  3.8813  496.878    59.185   509.135    103.332  490.893    72.202   62.181  6.9687  62.334  4.8110  -0.1534920     8.468054 
1 1 1 -18 -29 12 o 30.152  5.3603  118.096    37.779   39.643     72.177   147.700    44.338   21.774  8.8089  33.703  5.6196  -11.92935      10.44880 
1 1 1 -18 -29 13 o 22.321  6.1089  65.906     34.049   64.203     65.966   66.524     39.755   23.454  8.7048  22.462  6.7495  0.9920616      11.01494 
1 1 1 -18 -29 14 o 23.382  6.4657  72.627     37.913   18.798     82.896   86.865     42.634   21.373  9.1027  25.461  6.7801  -4.087515      11.35033 
1 1 1 -18 -29 15 o 66.613  5.8330  568.142    93.329   543.534    159.040  581.067    115.262  61.226  11.115  66.437  7.2686  -5.211197      13.28050 
1 1 1 -18 -29 16 o 57.861  6.1107  431.338    84.493   480.506    146.453  406.808    103.445  57.792  10.842  55.091  7.9703  2.701508       13.45650 
1 1 1 -18 -29 17 o 30.256  8.2954  125.683    62.719   62.878     117.900  150.471    74.069   26.947  11.122  32.842  9.0191  -5.894669      14.31941 
1 1 1 -18 -29 18 o 64.161  5.9008  526.720    90.836   430.525    153.841  578.206    112.549  53.743  12.090  66.513  7.0827  -12.77021      14.01196 
1 1 1 -18 -29 19 o 18.991  6.4689  43.629     35.697   -24.7326   66.214   71.638     42.383   16.852  7.6103  23.328  6.9599  -6.475780      10.31296 
1 1 1 -18 -29 20 o 70.503  3.9400  617.189    67.131   567.305    112.206  644.999    83.779   65.899  7.1310  71.662  4.8466  -5.763268      8.622166 
1 1 1 -18 -29 21 o 74.584  3.9046  690.093    70.415   780.034    117.669  639.916    87.889   77.990  6.2711  71.251  5.1178  6.739052       8.094402 
1 1 1 -18 -29 22 o 62.829  4.3103  492.603    65.314   557.516    113.590  460.541    79.830   65.247  7.3000  60.206  5.5264  5.041096       9.155951 
1 1 1 -18 -29 23 o 99.448  3.9999  1224.71    96.518   1402.26    158.631  1120.35    121.620  104.714 6.2723  94.236  5.3408  10.47746       8.238086 
1 1 1 -18 -29 24 o 98.285  4.4492  1202.01    106.104  1293.50    214.130  1172.23    122.155  97.824  9.1267  96.470  5.2383  1.353737       10.52315 
1 1 1 -18 -29 25 o 57.885  8.0226  446.475    109.650  0.0000     0.0000   446.475    109.650  ?       ?       57.885  8.0226  0.000000       8.022584 
1 1 1 -18 -29 26 o 80.770  5.9826  832.301    116.413  931.910    203.234  783.659    142.021  81.574  10.512  77.154  7.6887  4.420883       13.02415 
1 1 1 -18 -29 27 o 65.470  6.2899  551.262    98.690   579.533    182.493  539.577    117.326  62.387  12.491  63.873  7.7275  -1.486393      14.68835 
1 1 1 -18 -29 28 o 20.872  7.6480  48.967     50.645   6.7510     89.337   68.959     61.479   21.407  9.2863  23.792  8.4645  -2.385351      12.56515 
1 1 1 -18 -29 29 o 69.046  4.4663  596.212    74.425   544.136    125.073  624.761    92.605   63.701  8.2883  70.164  5.4831  -6.462746      9.937803 
1 1 1 -18 -29 30 o 51.790  8.9630  368.074    108.554  368.074    108.554  0.0000     0.0000   51.790  8.9630  ?       ?       0.000000       8.963030 
1 1 1 -18 -29 31 f 54.418  9.1184  407.838    116.141  407.838    116.141  0.0000     0.0000   54.418  9.1184  ?       ?       0.000000       9.118441 
1 1 1 -18 -29 32 o 68.206  4.4502  582.506    73.245   569.024    128.202  589.039    89.244   64.995  8.3202  68.068  5.4491  -3.072723      9.945783 
1 1 1 -18 -29 33 o 24.609  7.6694  80.460     50.732   170.061    94.375   44.044     60.165   34.330  10.418  21.122  8.1998  13.20776       13.25802 
1 1 1 -18 -29 34 o 22.869  6.7631  69.204     40.153   81.557     99.481   66.800     43.887   26.904  10.516  22.610  7.1462  4.293852       12.71452 
1 1 1 -18 -29 35 o 29.118  6.1343  112.240    41.972   9.8611     101.886  133.165    46.062   22.589  9.8568  31.754  6.2008  -9.164877      11.64506 
1 1 1 -18 -29 36 o 68.721  4.2128  590.551    69.907   703.163    130.997  545.710    82.661   72.745  7.5306  65.517  5.2437  7.228424       9.176388 
1 1 1 -18 -29 37 o 29.029  6.1678  111.847    42.103   130.473    103.232  108.131    46.112   30.655  10.962  28.329  6.7957  2.326094       12.89742 
1 1 1 -18 -29 38 o 69.766  4.2644  609.585    71.843   723.591    138.974  568.006    83.927   73.356  7.9343  66.820  5.2178  6.535545       9.496258 
1 1 1 -18 -29 39 f 29.273  8.0058  118.596    58.502   56.695     131.346  133.915    65.341   27.025  11.483  30.934  8.4612  -3.908804      14.26336 
1 1 1 -18 -29 40 o 18.603  7.3597  30.432     49.248   -134.0910  122.629  62.069     53.775   18.951  9.1111  22.368  7.9209  -3.417580      12.07277 
1 1 1 -18 -29 41 o 34.438  8.3418  166.164    68.967   259.742    139.783  136.055    79.290   40.193  12.759  30.818  9.5853  9.374756       15.95846 
1 1 1 -18 -29 42 o 33.866  6.8665  154.800    54.492   0.0000     0.0000   154.800    54.492   ?       ?       33.866  6.8665  0.000000       6.866469 
1 1 1 -18 -29 43 o 32.390  7.2855  143.871    55.871   0.0000     0.0000   143.871    55.871   ?       ?       32.390  7.2855  0.000000       7.285487 
1 1 1 -18 -29 44 o 14.421  6.4373  -11.8159   45.878   0.0000     0.0000   -11.8159   45.878   ?       ?       14.421  6.4373  0.000000       6.437342 
1 1 1 -18 -29 45 o 55.242  4.7852  389.138    63.507   294.479    133.273  416.946    72.235   42.479  12.253  56.892  5.2935  -14.41315      13.34782 
1 1 1 -18 -29 46 o 31.838  8.2459  144.913    64.209   34.708     131.874  179.158    73.512   25.267  11.114  35.214  8.6631  -9.946833      14.09181 
1 1 1 -18 -29 47 o 13.902  6.4505  -34.3909   52.054   126.791    110.379  -80.4912   59.031   29.437  11.188  12.880  6.2239  16.55608       12.80259 
1 1 1 -18 -29 48 o 13.610  6.0597  -8.7602    40.370   16.770     87.279   -15.7089   45.534   20.919  9.1255  13.966  6.3087  6.952125       11.09391 
1 1 1 -18 -29 49 o 46.238  5.1497  278.569    56.794   244.193    112.338  290.372    65.825   38.412  11.299  46.704  5.9433  -8.292263      12.76674 
1 1 1 -18 -29 50 f 41.133  5.8672  226.341    56.898   409.203    111.675  162.232    66.124   52.497  9.0967  33.241  8.2396  19.25650       12.27361 
1 1 1 -18 -29 51 o 18.909  7.1529  41.830     44.984   108.631    104.256  26.549     49.864   27.182  10.723  17.795  7.2757  9.387533       12.95816 
1 1 1 -18 -29 52 o 19.660  7.2457  48.621     45.551   48.072     100.281  48.764     51.130   23.049  9.9185  20.025  7.6137  3.023531       12.50378 
1 1 1 -18 -29 53 o 40.277  7.0331  229.335    66.232   88.004     154.151  261.332    73.347   26.824  11.897  42.799  7.3265  -15.97450      13.97223 
1 1 1 -18 -29 54 o 33.559  8.0329  168.567    64.541   -27.4869   154.860  209.779    71.001   22.729  10.730  37.568  8.0324  -14.83874      13.40330 
1 1 1 -18 -29 55 o 39.161  7.1030  219.339    65.008   192.765    152.127  225.276    71.903   31.242  12.734  39.046  7.8614  -7.803984      14.96483 
1 1 1 -18 -29 56 o 20.085  8.6707  29.133     77.126   240.506    164.908  -30.0460   87.257   33.360  13.379  17.903  8.3221  15.45675       15.75575 
1 1 1 -18 -29 57 o 23.009  9.1948  70.301     77.593   319.290    172.427  7.0760     86.888   37.381  14.034  19.590  8.7937  17.79095       16.56134 
1 1 1 -18 -29 58 f 22.510  8.2754  71.271     59.364   128.686    154.706  61.357     64.286   28.125  12.210  21.735  8.4653  6.389568       14.85780 
1 1 1 -18 -29 59 o 11.647  5.6032  -56.8287   46.557   -156.8291  142.215  -44.8248   49.273   18.705  9.1749  12.648  5.9952  6.056276       10.96000 
1 1 1 -18 -29 60 o 20.797  9.3650  13.286     99.441   329.179    326.562  -18.9985   104.399  33.048  15.595  19.766  9.1586  13.28154       18.08547 
1 1 1 -18 -29 61 o 39.246  11.119  275.848    110.704  606.768    349.748  239.002    116.705  37.762  17.225  35.483  11.691  2.278900       20.81754 
1 1 1 -18 -29 62 o 27.614  13.524  75.632     305.374  75.632     305.374  0.0000     0.0000   27.614  13.524  ?       ?       0.000000       13.52426 
1 1 1 -18 -28 1  o 25.671  5.4426  87.135     32.849   149.234    82.954   75.587     35.774   31.861  9.7869  23.702  6.1628  8.158998       11.56563 
1 1 1 -18 -28 2  o 15.728  5.9241  25.108     30.774   -87.4786   91.022   39.639     32.700   16.979  8.0773  18.021  6.1905  -1.041283      10.17663 
1 1 1 -18 -28 3  o 20.455  6.7890  53.420     39.329   32.776     102.843  56.956     42.565   23.678  10.113  21.099  7.0644  2.579115       12.33594 
1 1 1 -18 -28 4  o 28.800  5.6299  109.054    37.932   209.958    109.910  95.410     40.415   37.181  11.234  26.675  6.3379  10.50609       12.89856 
1 1 1 -18 -28 5  o 54.225  4.0542  368.072    52.956   316.973    102.381  386.737    61.876   47.401  9.2335  55.325  4.6525  -7.923332      10.33940 
1 1 1 -18 -28 6  o 10.521  4.7029  -9.0076    24.573   -54.5250   70.604   -2.7343    26.211   15.829  7.4004  11.539  5.0177  4.290549       8.941132 
1 1 1 -18 -28 7  o 40.601  4.4918  208.502    43.509   182.098    91.837   216.143    49.406   35.372  10.162  41.129  5.0572  -5.757004      11.35125 
1 1 1 -18 -28 8  o 42.562  4.4322  228.551    45.101   164.469    94.101   247.661    51.388   33.674  10.437  44.149  4.8785  -10.47590      11.52101 
1 1 1 -18 -28 9  o 32.664  5.0863  137.207    39.000   183.613    74.866   119.923    45.690   36.306  8.6260  30.012  6.4652  6.294867       10.77991 
1 1 1 -18 -28 10 o 18.565  6.5350  40.452     36.551   67.347     62.683   26.596     44.992   23.592  8.5291  17.804  7.0374  5.787968       11.05760 
1 1 1 -18 -28 11 o 15.106  5.7904  20.938     29.725   -45.7768   58.951   43.684     34.422   14.623  6.8116  18.875  6.3527  -4.252198      9.314172 
1 1 1 -18 -28 12 o 55.835  4.0053  388.455    53.903   404.439    94.527   380.754    65.616   55.424  7.1989  54.885  4.9814  0.5392418      8.754381 
1 1 1 -18 -28 13 o 19.708  6.1889  49.501     32.966   98.639     61.869   30.019     38.957   27.088  8.4739  17.505  6.6481  9.583803       10.77053 
1 1 1 -18 -28 14 o 35.998  4.7995  164.530    40.876   112.207    74.235   187.297    48.969   28.798  9.3148  38.221  5.4331  -9.423214      10.78349 
1 1 1 -18 -28 15 o 45.977  4.3068  264.682    47.486   345.279    84.444   227.410    57.426   51.403  6.9486  42.062  5.7794  9.340416       9.037924 
1 1 1 -18 -28 16 o 76.917  5.6857  750.409    105.361  671.882    173.819  796.019    132.471  69.143  10.707  78.341  7.0442  -9.198257      12.81615 
1 1 1 -18 -28 17 o 77.851  5.7096  768.337    107.102  744.622    175.963  782.292    134.986  73.402  10.152  77.554  7.2578  -4.151466      12.47916 
1 1 1 -18 -28 18 o 103.992 5.6959  1366.99    143.176  1410.49    226.995  1338.25    184.507  102.386 9.2366  101.365 7.5560  1.021629       11.93345 
1 1 1 -18 -28 19 o 77.731  4.2791  751.114    80.396   1056.78    173.659  667.731    90.702   89.641  8.0707  72.875  5.1629  16.76575       9.580748 
1 1 1 -18 -28 20 o 103.665 3.9241  1327.38    98.705   1266.28    157.337  1367.03    126.748  99.498  6.5538  104.628 4.9926  -5.129631      8.238827 
1 1 1 -18 -28 21 o 81.586  3.8653  821.599    76.519   737.642    124.364  872.745    97.066   75.676  6.8470  83.570  4.8071  -7.894058      8.366020 
1 1 1 -18 -28 22 o 21.197  6.6176  57.349     37.752   119.525    70.771   32.619     44.633   29.725  9.0221  18.545  7.0985  11.17995       11.47983 
1 1 1 -18 -28 23 o 43.060  5.2199  235.057    53.423   193.634    98.146   252.496    63.683   37.035  10.461  44.325  6.0816  -7.289993      12.10036 
1 1 1 -18 -28 24 o 17.545  7.0817  20.825     46.531   52.045     82.787   6.4078     56.259   23.990  9.5261  17.617  7.5008  6.373392       12.12470 
1 1 1 -18 -28 25 o 79.887  6.0370  811.057    116.157  715.716    202.297  857.952    141.876  70.318  12.305  81.369  7.2623  -11.05096      14.28808 
1 1 1 -18 -28 26 o 106.336 6.0153  1434.01    154.567  1288.66    257.094  1516.28    193.428  95.795  11.277  108.152 7.4157  -12.35758      13.49660 
1 1 1 -18 -28 27 o 77.505  6.1271  765.297    114.286  863.973    201.646  718.600    138.717  78.636  10.858  73.981  7.8474  4.654915       13.39683 
1 1 1 -18 -28 28 o 97.125  10.778  1313.40    249.712  1313.40    249.712  0.0000     0.0000   97.125  10.778  ?       ?       0.000000       10.77784 
1 1 1 -18 -28 29 o 81.670  7.2015  865.901    141.247  865.901    141.247  0.0000     0.0000   81.670  7.2015  ?       ?       0.000000       7.201497 
1 1 1 -18 -28 30 o 76.067  7.3238  754.404    133.506  754.404    133.506  0.0000     0.0000   76.067  7.3238  ?       ?       0.000000       7.323845 
1 1 1 -18 -28 31 o 49.483  5.2062  310.329    61.571   291.729    109.891  318.840    74.334   45.389  10.224  49.683  6.3083  -4.293919      12.01323 
1 1 1 -18 -28 32 o 40.884  5.9851  216.044    57.615   195.068    104.237  225.271    69.136   36.745  10.904  41.246  7.1681  -4.501293      13.04903 
1 1 1 -18 -28 33 o 13.437  5.7059  2.9044     32.399   -76.0245   88.248   15.201     34.832   17.340  8.1595  15.195  6.1292  2.144479       10.20516 
1 1 1 -18 -28 34 o 47.335  4.6544  282.336    52.767   281.981    108.432  282.446    60.401   44.392  10.271  47.053  5.3875  -2.661148      11.59786 
1 1 1 -18 -28 35 o 26.467  6.2145  92.888     39.228   -21.5246   97.402   115.040    42.858   20.679  9.2943  29.520  6.1816  -8.841461      11.16224 
1 1 1 -18 -28 36 o 28.116  6.2909  104.922    41.845   -13.8580   103.433  128.167    45.756   21.615  9.6560  31.148  6.2712  -9.532858      11.51374 
1 1 1 -18 -28 37 o 39.931  5.3056  204.485    50.133   213.097    109.533  202.203    56.386   37.887  11.161  39.376  6.0988  -1.489033      12.71822 
1 1 1 -18 -28 38 o 39.528  5.4507  201.164    50.887   342.805    107.617  160.374    57.752   49.492  9.3031  34.533  7.1287  14.95911       11.72035 
1 1 1 -18 -28 39 o 44.354  6.9772  261.113    72.610   116.841    141.962  312.226    84.499   30.960  12.414  48.304  7.4490  -17.34349      14.47745 
1 1 1 -18 -28 40 f 13.278  6.1859  -38.6698   48.645   15.383     129.459  -47.5563   52.492   25.002  11.005  13.455  6.3193  11.54688       12.69006 
1 1 1 -18 -28 41 o 59.052  7.8602  470.087    109.826  0.0000     0.0000   470.087    109.826  ?       ?       59.052  7.8602  0.000000       7.860207 
1 1 1 -18 -28 42 o 24.249  7.4547  78.958     48.117   0.0000     0.0000   78.958     48.117   ?       ?       24.249  7.4547  0.000000       7.454693 
1 1 1 -18 -28 43 o 33.009  7.2554  148.501    56.527   0.0000     0.0000   148.501    56.527   ?       ?       33.009  7.2554  0.000000       7.255356 
1 1 1 -18 -28 44 o 27.035  7.1993  100.092    48.067   93.987     109.072  101.564    53.548   27.813  10.969  27.113  7.7509  0.7005329      13.43106 
1 1 1 -18 -28 45 o 41.478  5.4081  222.878    53.134   303.695    103.799  194.183    61.851   45.715  9.6602  37.898  6.9835  7.817131       11.92013 
1 1 1 -18 -28 46 o 58.780  6.3650  455.569    89.330   329.781    167.835  505.287    105.517  43.216  14.009  61.241  7.2411  -18.02495      15.76955 
1 1 1 -18 -28 47 o 38.044  7.8079  202.290    69.659   277.458    140.770  177.914    80.162   40.451  12.800  34.711  9.3210  5.740341       15.83426 
1 1 1 -18 -28 48 o 24.111  8.6640  77.278     64.563   394.169    138.995  -9.9045    72.905   49.470  11.753  18.078  8.0892  31.39147       14.26815 
1 1 1 -18 -28 49 o 16.634  6.7237  22.027     42.010   -139.3700  96.769   59.508     46.633   15.765  7.6980  21.323  7.3887  -5.558177      10.67020 
1 1 1 -18 -28 50 o 24.548  7.2843  84.693     46.520   73.885     100.327  87.654     52.506   25.131  10.303  24.872  7.8106  0.2587719      12.92887 
1 1 1 -18 -28 51 o 34.605  6.5455  164.749    52.947   67.177     107.884  195.707    60.769   24.885  10.481  37.538  6.9270  -12.65287      12.56318 
1 1 1 -18 -28 52 o 11.305  5.3503  -38.4543   38.952   -83.0703   96.108   -29.6851   42.608   17.128  8.1899  12.476  5.8046  4.652148       10.03835 
1 1 1 -18 -28 53 o 16.069  7.1616  -4.9848    56.539   233.965    152.488  -43.0697   60.878   34.504  13.141  14.528  6.8176  19.97511       14.80446 
1 1 1 -18 -28 54 o 31.780  8.2587  152.167    64.266   319.329    146.233  112.154    71.545   40.260  13.078  26.954  9.1582  13.30669       15.96579 
1 1 1 -18 -28 55 f 21.239  8.1848  57.432     59.606   130.693    142.391  41.866     65.634   28.363  11.998  20.257  8.3223  8.105785       14.60215 
1 1 1 -18 -28 56 f 11.489  5.7045  -126.5192  61.123   160.319    153.811  -180.3121  66.609   29.766  12.524  10.961  5.5154  18.80528       13.68500 
1 1 1 -18 -28 57 f 13.143  6.3290  -69.7140   59.776   -91.0341   156.235  -66.0577   64.699   21.134  10.191  13.955  6.6853  7.178621       12.18775 
1 1 1 -18 -28 58 o 38.387  7.4097  212.846    66.517   373.068    162.320  180.510    72.921   42.157  13.783  34.153  8.7578  8.003971       16.32981 
1 1 1 -18 -28 59 o 17.198  7.4711  10.564     57.991   -12.7903   150.158  14.658     62.869   22.974  10.757  17.995  7.7982  4.978592       13.28636 
1 1 1 -18 -28 60 o 28.415  11.208  135.946    113.889  -95.2527   306.602  172.953    122.666  26.473  13.079  30.778  11.771  -4.304653      17.59567 
1 1 1 -18 -28 61 o 16.179  7.8373  -100.2991  95.017   -426.1447  249.025  -44.7776   102.794  20.615  10.409  18.679  8.7948  1.935984       13.62733 
1 1 1 -18 -28 62 o 27.692  13.486  63.914     291.431  63.914     291.431  0.0000     0.0000   27.692  13.486  ?       ?       0.000000       13.48606 
1 1 1 -18 -28 63 o 23.219  10.088  65.040     105.759  92.109     271.322  60.190     114.843  27.230  13.204  23.302  10.305  3.928772       16.74934 
1 1 1 -18 -27 1  o 21.908  5.6320  63.584     30.104   125.505    76.833   52.354     32.720   29.747  9.4612  20.036  6.1453  9.711161       11.28178 
1 1 1 -18 -27 2  o 22.510  6.1495  67.411     34.540   -31.6865   78.211   91.420     38.497   17.874  8.1500  26.171  6.1639  -8.297791      10.21845 
1 1 1 -18 -27 3  o 52.728  5.5455  356.892    69.886   412.008    138.668  338.128    80.912   52.679  11.194  50.659  6.7506  2.020271       13.07185 
1 1 1 -18 -27 4  o 24.131  6.9948  77.962     43.335   81.141     104.909  77.308     47.585   27.079  10.733  24.082  7.4149  2.996964       13.04500 
1 1 1 -18 -27 5  o 60.223  3.9147  451.923    56.893   522.828    106.384  423.522    67.330   63.005  7.0816  57.892  4.8375  5.112881       8.576140 
1 1 1 -18 -27 6  o 57.322  4.0009  409.873    55.297   391.608    107.412  416.460    64.501   53.543  8.5557  57.504  4.6630  -3.960320      9.743908 
1 1 1 -18 -27 7  o 18.870  5.8652  45.469     29.693   19.832     64.961   52.240     33.384   19.570  8.1808  20.128  6.2130  -0.5581532     10.27263 
1 1 1 -18 -27 8  o 98.106  3.8590  1192.06    91.861   1233.78    152.274  1168.20    115.181  97.855  6.4494  96.378  4.9420  1.477859       8.125144 
1 1 1 -18 -27 9  o 147.435 5.1628  2732.90    184.694  2830.19    243.765  2601.77    282.997  148.168 6.7804  139.723 8.3862  8.444992       10.78433 
1 1 1 -18 -27 10 o 97.466  4.6249  1185.06    109.376  1220.23    150.350  1145.53    159.408  97.518  6.3894  93.926  7.0459  3.591743       9.511535 
1 1 1 -18 -27 11 o 63.519  3.8795  500.661    59.506   529.154    102.902  486.347    72.938   63.920  6.7362  62.203  4.8715  1.716476       8.313082 
1 1 1 -18 -27 12 o 13.567  5.5703  9.0124     29.379   0.1333     59.482   11.877     33.788   17.551  7.5954  14.676  5.9935  2.874610       9.675379 
1 1 1 -18 -27 13 o 24.128  6.0221  76.482     35.144   63.187     66.125   81.716     41.489   23.614  8.7249  24.856  6.7188  -1.242807      11.01205 
1 1 1 -18 -27 14 f 28.753  5.5671  107.125    37.437   61.871     69.267   125.798    44.495   23.746  8.8988  31.042  6.1249  -7.296274      10.80289 
1 1 1 -18 -27 15 o 105.541 3.9034  1374.84    99.959   1350.07    159.095  1390.99    128.487  102.942 6.4011  105.574 5.0158  -2.631622      8.132185 
1 1 1 -18 -27 16 o 64.069  4.9192  514.142    75.889   413.570    103.185  632.633    112.001  56.099  7.7908  70.237  6.6512  -14.13731      10.24375 
1 1 1 -18 -27 17 o 34.459  7.9177  159.286    64.811   101.774    117.122  184.669    77.810   29.895  11.486  36.817  8.8250  -6.921801      14.48446 
1 1 1 -18 -27 18 o 46.009  8.2552  282.029    88.772   0.0000     0.0000   282.029    88.772   ?       ?       46.009  8.2552  0.000000       8.255237 
1 1 1 -18 -27 19 o 52.425  6.3185  351.732    78.755   341.839    135.066  356.828    96.939   48.933  11.560  52.068  7.9229  -3.134319      14.01419 
1 1 1 -18 -27 20 o 44.680  4.4739  249.538    47.852   236.292    83.066   256.117    58.541   41.977  8.4479  44.949  5.4811  -2.971874      10.07022 
1 1 1 -18 -27 21 o 35.835  5.1529  163.032    43.516   165.466    75.734   161.833    53.170   34.880  8.9148  35.286  6.4478  -0.4057007     11.00214 
1 1 1 -18 -27 22 o 55.752  4.2603  386.233    57.195   412.639    94.861   371.151    71.693   56.515  7.0725  54.211  5.5276  2.303978       8.976349 
1 1 1 -18 -27 23 o 55.404  4.7444  383.596    63.165   398.932    105.648  375.064    78.801   55.020  8.1610  54.277  6.0884  0.7431450      10.18187 
1 1 1 -18 -27 24 o 33.428  6.7281  146.367    52.683   -9.0886    93.851   217.891    63.659   21.288  9.3698  41.012  6.6228  -19.72487      11.47407 
1 1 1 -18 -27 25 o 48.714  5.1599  298.869    60.062   237.985    102.788  330.435    74.012   41.322  10.291  50.887  6.1166  -9.565365      11.97129 
1 1 1 -18 -27 26 o 53.035  7.2149  365.266    90.436   515.873    174.179  309.680    105.817  59.807  12.409  47.665  9.4831  12.14204       15.61796 
1 1 1 -18 -27 27 o 43.399  13.673  281.773    160.758  281.773    160.758  0.0000     0.0000   43.399  13.673  ?       ?       0.000000       13.67295 
1 1 1 -18 -27 28 o 28.721  12.089  55.129     143.380  55.129     143.380  0.0000     0.0000   28.721  12.089  ?       ?       0.000000       12.08886 
1 1 1 -18 -27 29 o 65.831  7.9781  569.097    124.833  569.097    124.833  0.0000     0.0000   65.831  7.9781  ?       ?       0.000000       7.978115 
1 1 1 -18 -27 30 o 113.314 4.1676  1588.49    114.587  1676.12    183.033  1532.01    146.947  114.567 6.6123  110.505 5.4804  4.062576       8.588251 
1 1 1 -18 -27 31 o 28.172  7.9652  106.506    56.872   -26.6300   97.127   175.968    70.156   20.630  9.2761  36.066  8.2022  -15.43541      12.38229 
1 1 1 -18 -27 32 o 30.859  5.8635  123.811    42.299   83.782     95.515   133.577    47.177   27.255  10.396  31.933  6.3124  -4.678780      12.16214 
1 1 1 -18 -27 33 o 9.6758  4.6062  -36.6376   29.712   -100.7538  85.742   -27.8878   31.675   16.181  7.7366  10.693  4.9848  5.488482       9.203471 
1 1 1 -18 -27 34 f 66.483  4.2378  550.531    68.006   626.969    129.122  521.188    80.000   68.890  7.8657  64.272  5.1737  4.617729       9.414648 
1 1 1 -18 -27 35 o 101.958 4.0804  1288.67    100.945  1497.71    171.125  1177.11    125.012  107.937 6.5652  96.572  5.3561  11.36570       8.472821 
1 1 1 -18 -27 36 o 154.042 4.4731  2956.48    167.192  3458.71    262.334  2612.94    216.964  164.112 6.5879  143.036 6.2514  21.07559       9.081898 
1 1 1 -18 -27 37 o 96.876  4.0758  1164.81    95.807   1409.43    163.797  1037.60    118.120  104.612 6.4849  90.525  5.4022  14.08659       8.440276 
1 1 1 -18 -27 38 o 11.611  5.3238  -21.6076   33.992   -45.5241   92.555   -17.8786   36.546   19.046  8.7521  12.407  5.6238  6.638837       10.40315 
1 1 1 -18 -27 39 o 61.014  4.3766  466.378    64.362   370.018    128.415  498.705    74.379   50.443  10.817  62.848  4.9167  -12.40456      11.88153 
1 1 1 -18 -27 40 f 64.986  7.5177  560.590    116.352  0.0000     0.0000   560.590    116.352  ?       ?       64.986  7.5177  0.000000       7.517720 
1 1 1 -18 -27 41 o 39.809  8.9385  222.033    84.226   0.0000     0.0000   222.033    84.226   ?       ?       39.809  8.9385  0.000000       8.938539 
1 1 1 -18 -27 42 o 47.095  5.7564  286.358    64.411   0.0000     0.0000   286.358    64.411   ?       ?       47.095  5.7564  0.000000       5.756397 
1 1 1 -18 -27 43 o 22.891  7.4960  68.395     48.007   158.158    106.352  45.425     53.800   32.901  11.166  20.599  7.8152  12.30175       13.62919 
1 1 1 -18 -27 44 o 28.954  6.8086  113.363    47.030   169.716    93.356   94.197     54.443   33.961  10.374  26.242  7.9016  7.719610       13.04067 
1 1 1 -18 -27 45 o 30.016  6.5368  121.177    46.259   128.376    94.519   118.909    53.047   30.066  10.513  29.397  7.4326  0.6690273      12.87542 
1 1 1 -18 -27 46 f 24.906  8.3323  83.558     59.213   0.0031     123.340  108.584    67.500   23.508  10.520  27.811  8.8704  -4.303553      13.76053 
1 1 1 -18 -27 47 o 37.995  7.8489  200.862    69.965   132.889    140.963  223.081    80.592   30.962  12.386  39.588  8.6333  -8.626156      15.09791 
1 1 1 -18 -27 48 o 53.221  6.6752  378.659    84.305   473.227    163.619  344.478    98.368   53.530  12.775  49.368  8.5197  4.161976       15.35517 
1 1 1 -18 -27 49 o 60.876  4.7520  473.773    69.635   505.384    127.537  460.346    83.118   59.074  9.1970  59.231  5.8603  -0.1571960     10.90539 
1 1 1 -18 -27 50 o 32.709  6.7282  147.088    51.616   294.971    113.130  108.210    58.006   43.169  10.821  27.432  8.1326  15.73708       13.53648 
1 1 1 -18 -27 51 o 12.905  5.9105  -21.4274   41.733   -100.2157  156.974  -15.4351   43.291   21.797  10.434  13.579  6.1409  8.217744       12.10700 
1 1 1 -18 -27 52 o 28.286  7.2182  113.768    49.704   5.7939     107.716  142.978    56.025   21.705  9.7632  31.656  7.4227  -9.950720      12.26444 
1 1 1 -18 -27 53 o 11.303  5.4202  -52.0619   42.776   -98.0175   94.044   -40.0740   48.032   16.435  7.9202  12.803  6.0232  3.631635       9.950345 
1 1 1 -18 -27 54 o 20.394  8.1005  46.585     59.879   11.051     144.500  53.952     65.794   23.789  10.933  21.421  8.4966  2.367783       13.84652 
1 1 1 -18 -27 55 o 14.785  6.7174  -16.1825   52.533   42.740     137.770  -26.2073   56.827   24.507  11.031  14.796  6.8207  9.711188       12.96905 
1 1 1 -18 -27 56 o 22.343  9.0367  60.009     75.936   225.587    166.173  16.307     85.371   33.172  13.385  20.134  8.8955  13.03892       16.07138 
1 1 1 -18 -27 57 o 19.796  8.4010  30.703     70.160   -55.4306   164.210  49.937     77.599   22.572  10.769  21.677  8.9912  0.8954315      14.02872 
1 1 1 -18 -27 58 o 25.814  8.7593  100.760    65.448   83.791     156.406  104.362    72.060   26.682  11.900  26.132  9.1774  0.5502548      15.02794 
1 1 1 -18 -27 59 o 36.781  8.4768  204.080    74.100   365.407    163.738  162.530    83.096   41.945  13.849  31.637  9.8082  10.30851       16.97049 
1 1 1 -18 -27 60 o 20.824  9.1733  22.581     90.123   92.778     148.889  -18.0119   113.221  26.837  11.807  20.659  9.5601  6.177212       15.19230 
1 1 1 -18 -27 61 o 20.470  9.3158  0.2701     101.570  -164.5887  257.739  30.579     110.513  24.216  11.969  22.413  9.9991  1.803087       15.59572 
1 1 1 -18 -27 62 o 35.804  11.762  242.328    118.166  171.715    308.137  254.503    127.948  29.997  14.427  35.994  12.247  -5.996994      18.92424 
1 1 1 -18 -27 63 o 20.656  9.5110  1.0777     110.050  -244.1526  267.996  50.817     120.695  22.776  11.407  23.278  10.413  -0.5021362     15.44448 
1 1 1 -18 -26 1  o 16.072  5.2908  31.657     23.904   -29.7418   69.261   39.959     25.469   16.882  7.6869  17.683  5.4215  -0.8007793     9.406448 
1 1 1 -18 -26 2  o 34.853  4.5680  154.301    37.700   140.901    88.408   157.279    41.680   31.512  10.162  35.024  5.0505  -3.512306      11.34812 
1 1 1 -18 -26 3  o 36.561  5.9293  174.152    50.798   269.948    91.542   131.529    61.062   44.114  8.8599  30.916  8.0579  13.19744       11.97614 
1 1 1 -18 -26 4  o 85.362  5.3351  923.245    109.947  1288.73    194.779  752.336    133.196  98.126  8.2575  75.593  7.3550  22.53343       11.05815 
1 1 1 -18 -26 5  o 108.426 5.6287  1492.94    147.574  1647.24    248.377  1408.74    183.470  109.643 9.4278  103.718 7.3377  5.925644       11.94678 
1 1 1 -18 -26 6  o 35.219  4.7732  157.667    39.739   244.052    87.684   135.337    44.580   42.033  8.8757  32.197  5.9247  9.836613       10.67148 
1 1 1 -18 -26 7  f 79.308  3.7360  777.100    71.894   741.385    121.205  796.487    89.300   75.750  6.6621  79.783  4.6329  -4.032982      8.114614 
1 1 1 -18 -26 8  o 51.193  3.9200  325.933    48.322   265.071    85.640   354.361    58.529   44.300  8.2714  53.159  4.5825  -8.858601      9.455986 
1 1 1 -18 -26 9  o 36.495  4.6292  168.242    40.071   155.493    73.788   173.575    47.721   33.589  8.9080  36.784  5.5167  -3.195087      10.47796 
1 1 1 -18 -26 10 o 82.336  3.7686  836.287    75.290   928.572    125.653  784.596    94.040   85.436  6.1015  79.153  4.9208  6.283112       7.838544 
1 1 1 -18 -26 11 o 115.059 3.9664  1634.97    110.735  1655.02    176.455  1621.94    142.228  114.003 6.4049  113.916 5.1456  0.8779144E-01  8.215879 
1 1 1 -18 -26 12 o 86.367  3.7573  919.035    78.739   1043.57    129.764  846.462    99.059   90.837  5.9198  82.271  4.9859  8.566521       7.739714 
1 1 1 -18 -26 13 o 44.684  4.3064  249.161    46.113   286.704    81.415   231.429    55.953   46.787  7.4192  42.665  5.5354  4.122231       9.256580 
1 1 1 -18 -26 14 f 20.034  6.3717  50.231     34.847   51.572     63.017   49.640     41.823   22.394  8.4673  20.410  7.0016  1.983538       10.98717 
1 1 1 -18 -26 15 o 61.091  3.9003  461.477    57.513   525.052    97.550   427.604    71.204   64.228  6.3423  58.415  5.0741  5.812992       8.122287 
1 1 1 -18 -26 16 o 39.207  4.7315  193.135    44.102   219.522    78.797   181.098    53.218   40.567  8.2854  37.547  6.0467  3.019566       10.25717 
1 1 1 -18 -26 17 o 99.514  5.5475  1240.29    133.418  1207.78    209.753  1262.38    172.905  95.689  9.1454  99.334  7.2232  -3.644211      11.65386 
1 1 1 -18 -26 18 o 26.065  8.2338  87.579     58.268   75.395     111.645  92.139     68.309   28.069  11.089  26.939  8.9475  1.130692       14.24842 
1 1 1 -18 -26 19 o 41.098  7.3351  220.593    70.462   118.695    121.254  272.547    86.582   31.603  11.787  45.448  8.1509  -13.84542      14.33100 
1 1 1 -18 -26 20 f 31.565  8.2201  132.983    63.580   99.527     115.703  147.455    76.099   30.002  11.442  33.065  9.1665  -3.062750      14.66110 
1 1 1 -18 -26 21 o 38.339  5.2206  185.819    47.302   181.919    80.163   187.903    58.590   36.696  9.0579  38.134  6.5691  -1.438679      11.18924 
1 1 1 -18 -26 22 f 16.066  6.3361  19.532     36.395   97.762     63.183   -19.3155   44.524   27.424  8.5609  13.939  6.2726  13.48561       10.61296 
1 1 1 -18 -26 23 o 41.145  5.0206  212.964    49.084   204.146    81.436   217.995    61.513   38.980  8.8165  41.213  6.3556  -2.233471      10.86855 
1 1 1 -18 -26 24 o 29.250  6.8739  112.334    47.960   44.388     88.596   140.499    57.041   24.195  9.7696  32.632  7.3773  -8.437778      12.24211 
1 1 1 -18 -26 25 o 47.177  5.2114  279.878    58.660   296.861    103.717  271.891    71.129   46.889  9.4428  46.032  6.5533  0.8572197      11.49402 
1 1 1 -18 -26 26 o 28.471  11.919  51.080     138.189  51.080     138.189  0.0000     0.0000   28.471  11.919  ?       ?       0.000000       11.91940 
1 1 1 -18 -26 27 o 98.248  10.859  1312.90    254.533  1312.90    254.533  0.0000     0.0000   98.248  10.859  ?       ?       0.000000       10.85867 
1 1 1 -18 -26 28 o 39.114  13.623  215.364    158.624  215.364    158.624  0.0000     0.0000   39.114  13.623  ?       ?       0.000000       13.62302 
1 1 1 -18 -26 29 o 62.096  6.9023  495.164    102.238  368.897    184.475  551.140    122.826  49.244  14.477  64.984  7.9559  -15.73967      16.51947 
1 1 1 -18 -26 30 f 23.507  7.4543  70.557     47.722   55.843     93.559   75.732     55.482   25.283  10.099  24.480  8.0606  0.8032990      12.92145 
1 1 1 -18 -26 31 o 41.151  5.2360  214.478    51.096   268.657    139.815  206.126    54.893   42.833  12.607  40.139  5.8048  2.693447       13.87914 
1 1 1 -18 -26 32 o 89.471  4.0038  988.255    86.919   1399.98    151.984  788.147    105.957  105.230 5.9771  79.097  5.5561  26.13267       8.160620 
1 1 1 -18 -26 33 o 112.036 4.0903  1551.74    111.192  1847.79    184.228  1382.10    139.458  120.566 6.3195  104.818 5.5026  15.74842       8.379380 
1 1 1 -18 -26 34 o 82.504  4.0553  841.791    81.183   1083.01    143.295  727.766    98.519   92.061  6.4558  76.000  5.3772  16.06119       8.401862 
1 1 1 -18 -26 35 o 36.768  5.3025  172.702    45.938   91.999     102.841  192.819    51.345   28.244  10.784  38.773  5.6216  -10.52953      12.16096 
1 1 1 -18 -26 36 o 52.638  4.7487  348.246    59.998   532.224    129.506  297.968    67.702   62.864  8.7256  48.197  5.9132  14.66770       10.54049 
1 1 1 -18 -26 37 o 81.832  4.2575  833.671    84.244   962.234    157.863  782.480    99.614   85.561  7.6859  78.757  5.2427  6.804558       9.303752 
1 1 1 -18 -26 38 o 41.215  5.5936  218.098    54.493   378.415    126.865  181.827    60.344   51.522  10.504  37.019  6.9740  14.50354       12.60856 
1 1 1 -18 -26 39 o 99.104  5.1651  1238.41    123.774  0.0000     0.0000   1238.41    123.774  ?       ?       99.104  5.1651  0.000000       5.165116 
1 1 1 -18 -26 40 o 85.681  7.6145  969.210    156.653  0.0000     0.0000   969.210    156.653  ?       ?       85.681  7.6145  0.000000       7.614451 
1 1 1 -18 -26 41 o 36.394  8.9043  185.233    77.987   0.0000     0.0000   185.233    77.987   ?       ?       36.394  8.9043  0.000000       8.904340 
1 1 1 -18 -26 42 o 29.609  8.9167  121.687    69.327   271.064    178.284  95.076     75.249   40.792  14.425  26.913  9.3824  13.87927       17.20773 
1 1 1 -18 -26 43 o 23.610  7.3068  73.901     46.140   141.262    92.867   51.823     53.166   31.528  10.431  21.272  7.8297  10.25661       13.04242 
1 1 1 -18 -26 44 o 37.423  5.8890  182.705    51.708   152.991    104.561  192.324    59.491   32.512  11.071  38.053  6.6873  -5.540936      12.93422 
1 1 1 -18 -26 45 o 45.152  5.2602  261.463    56.549   367.301    110.400  223.817    65.843   51.071  9.2496  40.972  6.8659  10.09872       11.51933 
1 1 1 -18 -26 46 o 32.159  6.5772  138.755    49.591   128.067    99.358   142.301    57.230   30.130  10.756  32.186  7.4718  -2.056067      13.09678 
1 1 1 -18 -26 47 o 30.554  8.4285  132.146    64.517   51.213     131.403  157.854    74.058   26.410  11.359  33.125  8.9861  -6.715017      14.48394 
1 1 1 -18 -26 48 o 44.960  7.5251  276.659    79.191   313.313    152.395  263.100    92.688   42.879  13.281  42.644  9.2260  0.2354164      16.17095 
1 1 1 -18 -26 49 o 72.393  4.5169  664.440    78.946   735.590    143.134  633.332    94.643   72.706  8.2601  69.848  5.6322  2.858078       9.997568 
1 1 1 -18 -26 50 o 25.287  7.2668  89.093     46.953   24.652     104.216  105.505    52.593   22.799  9.9580  27.333  7.6358  -4.534496      12.54858 
1 1 1 -18 -26 51 o 16.452  6.7224  19.700     42.531   -109.5084  100.688  47.761     46.923   17.004  8.1948  19.915  7.3514  -2.910870      11.00901 
1 1 1 -18 -26 52 o 33.625  6.8249  156.682    53.781   235.831    114.502  134.277    60.919   37.469  11.496  30.357  8.1145  7.111736       14.07174 
1 1 1 -18 -26 53 o 20.916  7.2792  58.034     45.284   -65.2066   102.935  87.610     50.426   18.458  8.7238  24.764  7.6345  -6.306442      11.59270 
1 1 1 -18 -26 54 o 40.750  7.3478  235.058    69.979   102.910    153.597  269.674    78.612   27.939  12.148  43.368  7.7553  -15.42945      14.41255 
1 1 1 -18 -26 55 o 32.820  8.1757  160.273    64.864   332.643    157.395  125.009    71.191   40.702  13.585  28.448  9.1135  12.25414       16.35856 
1 1 1 -18 -26 56 o 41.235  9.3165  263.729    91.018   258.279    181.816  265.552    105.141  34.725  14.005  39.909  10.657  -5.183681      17.59838 
1 1 1 -18 -26 57 o 37.659  9.9220  228.788    91.932   75.403     182.859  280.670    106.349  27.245  12.438  41.133  10.592  -13.88859      16.33678 
1 1 1 -18 -26 58 o 40.217  7.4493  231.730    70.015   273.125    150.085  220.216    79.156   36.900  13.215  38.068  8.7526  -1.167213      15.85071 
1 1 1 -18 -26 59 o 44.485  7.1729  279.123    74.790   77.243     159.514  336.006    84.674   26.758  11.970  48.656  7.4058  -21.89829      14.07550 
1 1 1 -18 -26 60 o 21.038  8.3218  52.038     62.957   254.785    147.352  6.7634     69.632   35.842  13.059  18.248  8.0496  17.59370       15.34035 
1 1 1 -18 -26 61 o 33.798  15.444  296.334    282.782  296.334    282.782  0.0000     0.0000   33.798  15.444  ?       ?       0.000000       15.44446 
1 1 1 -18 -26 62 o 53.867  10.588  480.106    133.461  468.192    328.842  482.455    146.029  36.284  16.608  52.205  11.805  -15.92132      20.37627 
1 1 1 -18 -26 63 o 45.762  11.884  387.609    133.134  187.389    304.826  434.805    147.996  29.823  14.345  47.354  12.643  -17.53104      19.12106 
1 1 1 -18 -25 1  o 7.5319  3.5901  -23.2342   18.165   -25.2043   61.769   -23.0477   19.006   16.149  7.3164  7.7972  3.7038  8.351958       8.200494 
1 1 1 -18 -25 2  o 28.616  5.0043  105.511    33.482   129.221    80.359   100.530    36.831   30.490  9.6736  27.713  5.6684  2.776751       11.21203 
1 1 1 -18 -25 3  o 20.612  5.8454  55.461     30.582   128.818    73.760   40.233     33.607   30.494  9.2006  18.319  6.2765  12.17544       11.13751 
1 1 1 -18 -25 4  o 48.369  5.6789  299.439    65.382   289.714    131.491  302.633    75.358   44.002  11.989  48.195  6.6188  -4.193825      13.69493 
1 1 1 -18 -25 5  o 38.478  6.3084  192.888    56.856   281.026    121.649  168.254    64.313   43.840  11.348  35.324  7.7191  8.515984       13.72428 
1 1 1 -18 -25 6  o 45.528  4.3122  259.367    47.069   222.152    106.155  268.474    52.514   39.330  10.796  46.178  4.7547  -6.848305      11.79646 
1 1 1 -18 -25 7  o 55.281  3.7935  378.761    50.576   398.562    88.280   369.087    61.706   55.528  6.6866  54.250  4.7353  1.278732       8.193486 
1 1 1 -18 -25 8  o 75.956  3.7377  711.077    68.887   641.818    114.691  750.162    86.159   70.639  6.7746  77.579  4.5976  -6.940544      8.187366 
1 1 1 -18 -25 9  o 68.900  3.7509  586.430    62.471   631.062    106.182  562.803    77.257   70.376  6.2842  67.122  4.7747  3.254181       7.892392 
1 1 1 -18 -25 10 o 88.286  3.7886  959.854    81.158   931.387    133.560  976.518    102.188  85.541  6.4830  88.545  4.7740  -3.004166      8.051134 
1 1 1 -18 -25 11 f 60.486  3.8621  452.271    56.385   470.487    96.778   442.910    69.377   60.604  6.6930  59.539  4.8443  1.065449       8.262186 
1 1 1 -18 -25 12 o 56.131  3.9552  389.872    53.524   370.579    91.710   399.838    65.914   53.511  7.2500  56.573  4.8486  -3.062450      8.721945 
1 1 1 -18 -25 13 o 64.226  3.8411  509.084    59.585   557.871    100.489  482.630    73.996   66.316  6.3216  62.182  4.9452  4.133522       8.026047 
1 1 1 -18 -25 14 o 116.172 3.9751  1660.74    112.049  1588.17    175.467  1710.71    145.602  112.140 6.4763  117.366 5.1128  -5.226509      8.251234 
1 1 1 -18 -25 15 o 69.426  3.8307  594.020    64.281   675.488    107.424  548.579    80.229   73.201  6.1038  66.336  5.0217  6.864777       7.904010 
1 1 1 -18 -25 16 f 15.568  6.0633  19.583     32.979   -71.7927   61.973   55.680     38.952   14.083  6.6894  21.145  6.7377  -7.061842      9.494465 
1 1 1 -18 -25 17 o 49.059  4.2843  298.613    50.488   321.816    87.918   287.196    61.670   49.873  7.4971  47.791  5.4138  2.082829       9.247492 
1 1 1 -18 -25 18 o 89.283  5.5076  994.624    118.733  955.658    188.792  1020.12    152.715  85.408  9.2583  89.628  7.0798  -4.220520      11.65505 
1 1 1 -18 -25 19 o 150.738 6.2016  2842.46    226.827  2823.45    339.486  2857.79    304.864  146.958 9.5729  149.018 8.4664  -2.059952      12.77969 
1 1 1 -18 -25 20 f 84.027  5.8538  883.992    118.603  816.385    182.437  933.481    156.090  78.615  9.7751  85.467  7.6063  -6.851822      12.38578 
1 1 1 -18 -25 21 o 138.087 4.2526  2346.73    142.486  2241.91    217.308  2425.77    188.714  133.394 6.7357  139.686 5.5678  -6.292282      8.739032 
1 1 1 -18 -25 22 o 139.544 4.2737  2396.83    144.703  2318.64    220.958  2455.55    191.477  135.832 6.7042  140.512 5.6162  -4.679855      8.745697 
1 1 1 -18 -25 23 o 74.156  3.9661  677.407    71.104   792.589    117.293  610.487    89.404   79.423  6.1339  69.965  5.3059  9.458725       8.110359 
1 1 1 -18 -25 24 o 150.292 4.4147  2783.53    160.991  2784.98    247.490  2782.46    211.967  148.708 6.8590  149.391 5.8477  -0.6823883     9.013340 
1 1 1 -18 -25 25 o 85.324  6.8587  922.427    140.796  922.427    140.796  0.0000     0.0000   85.324  6.8587  ?       ?       0.000000       6.858690 
1 1 1 -18 -25 26 o 64.607  7.7261  537.879    118.715  537.879    118.715  0.0000     0.0000   64.607  7.7261  ?       ?       0.000000       7.726140 
1 1 1 -18 -25 27 o 15.392  7.6678  -274.0065  114.222  -274.0065  114.222  0.0000     0.0000   15.392  7.6678  ?       ?       0.000000       7.667784 
1 1 1 -18 -25 28 o 69.452  6.5770  612.119    109.514  558.539    184.162  641.432    136.216  62.916  12.504  70.318  8.1337  -7.401440      14.91672 
1 1 1 -18 -25 29 o 110.959 5.8930  1544.41    158.088  1606.05    270.789  1512.53    194.716  109.577 10.306  108.769 7.4222  0.8081818      12.70035 
1 1 1 -18 -25 30 o 54.773  4.3968  372.775    57.942   552.119    112.883  308.621    67.514   65.549  7.2169  49.382  5.7418  16.16762       9.222347 
1 1 1 -18 -25 31 o 57.134  4.3197  405.324    59.441   413.552    115.402  402.353    69.348   55.799  8.8164  56.669  5.0980  -0.8702888     10.18423 
1 1 1 -18 -25 32 o 58.053  4.3051  418.613    60.209   511.847    115.567  383.878    70.539   62.699  7.7624  55.235  5.3293  7.463120       9.415736 
1 1 1 -18 -25 33 o 80.914  4.1551  810.596    81.301   1230.54    147.394  626.955    97.470   98.587  6.1931  70.472  5.7504  28.11560       8.451096 
1 1 1 -18 -25 34 o 71.639  4.3300  637.472    74.912   798.649    146.427  580.331    87.185   78.270  7.8146  67.932  5.3322  10.33837       9.460486 
1 1 1 -18 -25 35 o 74.176  4.2397  683.150    75.990   689.717    142.873  680.560    89.735   72.278  8.2971  73.684  5.0496  -1.406532      9.712868 
1 1 1 -18 -25 36 o 52.312  4.7824  343.517    60.031   451.570    129.244  313.792    67.788   57.430  9.6148  49.614  5.7367  7.815331       11.19613 
1 1 1 -18 -25 37 o 46.555  5.0771  274.108    56.422   470.779    124.776  223.559    63.258   58.963  9.0072  41.447  6.5042  17.51555       11.11016 
1 1 1 -18 -25 38 o 44.279  5.8251  251.727    61.065   0.0000     0.0000   251.727    61.065   ?       ?       44.279  5.8251  0.000000       5.825102 
1 1 1 -18 -25 39 o 52.784  5.3916  354.070    68.084   0.0000     0.0000   354.070    68.084   ?       ?       52.784  5.3916  0.000000       5.391637 
1 1 1 -18 -25 40 o 21.656  8.4150  45.908     63.410   244.378    181.735  18.398     67.662   39.661  14.494  19.828  8.3230  19.83310       16.71413 
1 1 1 -18 -25 41 o 30.705  8.3364  129.670    63.706   39.261     184.206  141.952    67.896   29.718  13.102  32.038  8.5678  -2.319649      15.65439 
1 1 1 -18 -25 42 o 26.993  7.9105  98.685     55.154   106.622    93.310   94.423     68.377   28.666  10.400  26.700  8.9537  1.965807       13.72304 
1 1 1 -18 -25 43 o 15.783  6.3348  17.773     37.006   -15.2355   72.329   29.477     43.071   18.133  8.0896  17.887  6.9395  0.2464428      10.65820 
1 1 1 -18 -25 44 o 25.556  7.1936  87.996     46.495   71.542     91.929   93.652     53.897   25.708  10.092  26.291  7.8495  -0.5835457     12.78515 
1 1 1 -18 -25 45 o 33.698  6.4861  150.831    51.109   280.209    98.056   102.570    59.888   44.500  9.3772  27.350  8.2990  17.15001       12.52216 
1 1 1 -18 -25 46 o 13.434  6.0389  -15.1001   41.139   -82.9206   91.599   2.0363     46.044   17.302  8.1931  15.590  6.7147  1.711913       10.59311 
1 1 1 -18 -25 47 o 29.620  8.5960  123.580    65.411   316.958    142.374  71.843     73.643   44.428  12.617  24.413  9.1703  20.01476       15.59759 
1 1 1 -18 -25 48 o 49.361  7.0305  326.669    81.824   356.071    166.014  317.235    94.040   45.556  13.816  47.681  8.4370  -2.124729      16.18851 
1 1 1 -18 -25 49 o 44.979  5.4096  262.374    57.855   279.623    114.513  256.461    67.041   42.488  11.016  43.863  6.4955  -1.374317      12.78827 
1 1 1 -18 -25 50 o 19.699  7.3181  44.999     46.645   -8.3951    101.332  59.355     52.543   21.041  9.4664  21.715  7.8146  -0.6736832     12.27516 
1 1 1 -18 -25 51 o 30.123  6.9827  125.870    50.042   160.905    104.396  115.418    57.020   31.995  11.057  28.421  7.9545  3.573282       13.62091 
1 1 1 -18 -25 52 o 12.887  5.9444  -26.1386   43.265   241.438    100.273  -87.3487   47.959   39.206  10.378  10.818  5.3110  28.38707       11.65810 
1 1 1 -18 -25 53 o 39.343  6.1399  208.667    56.699   245.679    114.165  196.549    65.325   38.256  11.425  37.295  7.4790  0.9605331      13.65517 
1 1 1 -18 -25 54 o 27.382  8.5588  111.406    63.129   171.227    134.712  94.572     71.462   31.552  12.264  25.553  9.1222  5.999397       15.28453 
1 1 1 -18 -25 55 o 17.098  7.3696  10.859     55.540   -112.8946  120.646  44.137     62.563   18.456  8.9128  20.441  8.2252  -1.985497      12.12820 
1 1 1 -18 -25 56 o 28.316  10.325  127.075    92.153   0.0000     0.0000   127.075    92.153   ?       ?       28.316  10.325  0.000000       10.32547 
1 1 1 -18 -25 57 o 31.311  9.8529  157.674    83.505   297.509    161.832  106.932    97.486   38.033  13.711  26.731  10.421  11.30114       17.22198 
1 1 1 -18 -25 58 o 22.939  8.5611  71.327     63.982   238.665    131.363  19.282     73.259   35.779  12.401  19.429  8.4187  16.35053       14.98852 
1 1 1 -18 -25 59 o 14.926  6.9037  -30.1840   58.942   -97.6121   129.701  -12.6343   66.169   19.539  9.3880  16.796  7.5943  2.743551       12.07508 
1 1 1 -18 -25 60 o 11.051  5.4500  -99.4928   52.415   -62.6044   129.160  -106.7653  57.349   20.479  9.7067  11.574  5.7066  8.904456       11.25984 
1 1 1 -18 -25 61 o 15.856  7.7256  -120.9785  95.971   -499.9695  275.709  -68.7271   102.373  21.438  10.838  18.053  8.5816  3.384945       13.82402 
1 1 1 -18 -25 62 o 21.643  9.6834  20.960     104.441  -211.9969  267.681  62.792     113.431  23.979  11.911  24.177  10.476  -0.1982975     15.86279 
1 1 1 -18 -25 63 o 22.217  9.8444  37.250     105.292  48.689     272.552  35.243     114.155  27.468  13.298  22.582  10.112  4.885881       16.70578 
1 1 1 -18 -24 1  o 37.738  4.6693  180.274    41.843   148.140    127.135  184.178    44.312   32.935  12.110  38.067  4.9119  -5.132206      13.06820 
1 1 1 -18 -24 2  o 45.330  4.1124  256.721    44.740   276.650    92.423   250.622    51.129   44.953  8.7884  44.550  4.8061  0.4026527      10.01671 
1 1 1 -18 -24 3  o 37.397  4.3715  175.916    38.918   210.365    79.205   164.952    44.684   39.236  8.5603  35.905  5.2873  3.331177       10.06154 
1 1 1 -18 -24 4  o 18.556  6.3733  40.877     34.660   42.303     65.545   40.323     40.836   21.636  8.5125  19.038  6.8840  2.597563       10.94766 
1 1 1 -18 -24 5  o 88.742  5.2917  989.551    113.425  999.534    188.385  983.874    142.060  86.351  9.1296  87.561  6.7382  -1.209618      11.34693 
1 1 1 -18 -24 6  o 118.195 5.6301  1754.36    161.465  1821.35    259.409  1712.00    206.301  116.882 9.2218  115.132 7.4244  1.750038       11.83904 
1 1 1 -18 -24 7  o 108.980 3.9138  1464.24    103.494  1321.75    166.309  1554.29    132.214  101.744 6.7754  111.792 4.8742  -10.04813      8.346483 
1 1 1 -18 -24 8  o 46.377  4.0484  267.160    45.100   280.492    79.445   260.821    54.783   46.382  7.3005  45.529  5.0437  0.8528976      8.873348 
1 1 1 -18 -24 9  o 25.363  5.6435  83.416     33.835   37.253     62.204   102.813    40.322   21.040  8.2880  28.108  6.0884  -7.067671      10.28398 
1 1 1 -18 -24 10 o 90.372  3.7668  1003.79    82.598   1045.52    135.221  978.956    104.322  91.068  6.1556  88.741  4.8635  2.327003       7.845044 
1 1 1 -18 -24 11 o 92.643  3.7640  1054.28    84.611   1100.72    136.995  1025.63    107.582  93.566  6.0669  90.864  4.8977  2.701920       7.797099 
1 1 1 -18 -24 12 o 64.303  3.8103  509.520    59.185   515.857    99.893   506.092    73.469   63.761  6.5498  63.804  4.7804  -0.4288483E-01 8.108766 
1 1 1 -18 -24 13 o 38.719  4.5837  187.428    42.227   167.953    75.854   196.173    50.833   35.429  8.8498  39.388  5.4661  -3.959248      10.40178 
1 1 1 -18 -24 14 o 40.346  4.5225  203.046    43.512   159.031    76.860   223.806    52.785   34.478  9.0667  42.186  5.2719  -7.707680      10.48798 
1 1 1 -18 -24 15 o 64.771  3.8533  516.504    60.286   633.424    100.631  451.052    75.292   71.099  5.8861  60.143  5.2109  10.95612       7.861314 
1 1 1 -18 -24 16 o 37.344  4.8106  174.781    42.577   163.527    76.111   179.906    51.365   35.035  8.9275  37.633  5.8125  -2.597801      10.65296 
1 1 1 -18 -24 17 o 25.720  6.1470  85.648     37.839   171.589    67.351   46.010     45.740   36.152  7.8988  20.435  7.2978  15.71737       10.75406 
1 1 1 -18 -24 18 o 36.898  8.5259  180.086    74.800   194.451    114.233  169.304    98.967   37.904  11.453  35.567  10.641  2.337536       15.63313 
1 1 1 -18 -24 19 o 68.096  6.0359  581.172    98.696   611.299    153.165  559.781    129.063  68.318  9.4966  65.925  8.2489  2.392700       12.57897 
1 1 1 -18 -24 20 o 42.198  8.1173  232.645    80.095   211.645    118.823  250.134    108.433  39.425  11.627  42.984  10.489  -3.558975      15.65932 
1 1 1 -18 -24 21 o 54.943  4.6279  374.225    61.122   437.351    134.293  357.732    68.644   57.398  10.006  53.516  5.3583  3.881874       11.35073 
1 1 1 -18 -24 22 f 41.869  4.7957  218.771    47.841   145.433    83.281   254.893    58.447   33.147  9.7224  45.061  5.4568  -11.91460      11.14910 
1 1 1 -18 -24 23 o 57.106  4.2144  402.692    57.984   369.867    96.774   421.076    72.423   53.648  7.6512  58.146  5.1878  -4.497967      9.244088 
1 1 1 -18 -24 24 o 32.755  9.3752  142.150    78.294   142.150    78.294   0.0000     0.0000   32.755  9.3752  ?       ?       0.000000       9.375248 
1 1 1 -18 -24 25 o 42.929  12.024  255.130    130.232  255.130    130.232  0.0000     0.0000   42.929  12.024  ?       ?       0.000000       12.02376 
1 1 1 -18 -24 26 o 47.979  9.3062  305.581    104.430  305.581    104.430  0.0000     0.0000   47.979  9.3062  ?       ?       0.000000       9.306210 
1 1 1 -18 -24 27 o 61.155  6.9908  475.981    101.871  738.103    178.542  349.453    124.045  74.623  10.122  50.852  10.404  23.77141       14.51532 
1 1 1 -18 -24 28 o 45.857  6.8755  269.720    74.145   226.767    164.176  280.725    83.102   40.629  13.873  46.527  7.6253  -5.897717      15.83037 
1 1 1 -18 -24 29 f 39.712  7.6989  206.478    71.506   365.144    162.225  168.216    79.662   50.508  13.119  35.387  9.1943  15.12105       16.02036 
1 1 1 -18 -24 30 o 68.770  4.1000  583.890    68.104   672.532    124.233  545.807    81.431   72.600  7.1449  66.163  5.1120  6.437805       8.785357 
1 1 1 -18 -24 31 o 89.050  4.1488  976.623    89.643   1309.39    162.426  830.866    107.498  101.758 6.6143  81.522  5.4661  20.23569       8.580693 
1 1 1 -18 -24 32 f 91.433  4.1594  1030.38    92.279   1334.03    164.725  891.498    111.401  102.606 6.6522  84.407  5.4687  18.19868       8.611573 
1 1 1 -18 -24 33 o 22.125  7.0223  61.738     42.344   135.022    109.820  48.941     45.892   32.314  11.331  20.683  7.3181  11.63100       13.48841 
1 1 1 -18 -24 34 o 45.644  5.0575  262.147    55.071   356.398    118.835  236.369    62.147   51.053  9.9507  42.952  6.1376  8.100487       11.69135 
1 1 1 -18 -24 35 o 117.606 4.2511  1709.88    121.308  2019.75    202.431  1536.25    151.529  125.984 6.6456  110.547 5.6683  15.43761       8.734637 
1 1 1 -18 -24 36 o 125.594 4.3153  1952.91    131.505  2304.57    218.503  1753.19    164.667  134.550 6.6928  118.086 5.7470  16.46401       8.821700 
1 1 1 -18 -24 37 o 89.078  5.1062  994.453    109.905  0.0000     0.0000   994.453    109.905  ?       ?       89.078  5.1062  0.000000       5.106188 
1 1 1 -18 -24 38 o 19.441  7.1995  40.207     45.076   0.0000     0.0000   40.207     45.076   ?       ?       19.441  7.1995  0.000000       7.199522 
1 1 1 -18 -24 39 o 46.337  5.2119  272.298    57.582   340.601    130.743  255.861    64.137   48.486  11.319  44.553  6.0926  3.933277       12.85461 
1 1 1 -18 -24 40 o 34.276  8.7352  162.115    72.861   199.595    169.552  153.626    80.692   37.163  13.923  33.164  9.5252  3.999409       16.86977 
1 1 1 -18 -24 41 o 42.100  6.8102  232.872    67.192   294.244    109.488  195.795    85.102   45.530  10.168  37.365  9.3961  8.165718       13.84437 
1 1 1 -18 -24 42 o 40.925  7.3136  223.054    69.959   248.158    114.630  208.153    88.313   41.090  11.193  38.435  9.5193  2.655731       14.69393 
1 1 1 -18 -24 43 o 48.368  4.5390  294.269    52.647   320.639    91.690   281.299    64.303   48.800  8.0223  46.770  5.7900  2.029953       9.893475 
1 1 1 -18 -24 44 o 24.795  7.2888  82.184     46.762   114.076    86.687   69.095     55.534   29.085  10.074  23.407  8.0658  5.677546       12.90530 
1 1 1 -18 -24 45 o 57.469  4.7355  416.544    65.446   506.775    118.061  376.517    78.633   61.307  8.1376  53.941  6.1159  7.365719       10.17967 
1 1 1 -18 -24 46 o 30.684  6.6528  126.095    48.104   115.656    93.165   129.890    56.170   29.208  10.417  30.811  7.5682  -1.602949      12.87596 
1 1 1 -18 -24 47 o 12.023  5.7359  -55.5635   46.585   -124.6818  107.057  -39.4194   51.740   17.653  8.4933  13.734  6.3922  3.918362       10.62999 
1 1 1 -18 -24 48 o 46.230  7.1999  287.336    78.135   290.457    154.310  286.259    90.610   41.741  13.422  45.269  8.5629  -3.527565      15.92103 
1 1 1 -18 -24 49 o 33.993  6.5120  155.163    51.757   236.602    100.563  125.818    60.365   39.668  10.342  29.887  8.1152  9.780983       13.14572 
1 1 1 -18 -24 50 o 33.969  6.4747  155.467    51.418   211.719    105.233  137.826    58.931   36.846  10.961  31.313  7.7886  5.533590       13.44634 
1 1 1 -18 -24 51 o 11.859  5.5402  -32.3463   39.450   -61.1461   93.630   -26.1303   43.499   18.022  8.4564  12.982  5.9785  5.039931       10.35630 
1 1 1 -18 -24 52 o 36.745  6.3765  182.427    54.791   295.599    115.423  149.507    62.251   43.101  11.000  32.299  7.9878  10.80242       13.59426 
1 1 1 -18 -24 53 o 19.864  7.6836  43.709     52.680   127.250    102.789  13.949     61.350   28.988  10.845  18.158  7.7845  10.82942       13.34945 
1 1 1 -18 -24 54 o 41.498  7.2090  240.401    69.954   169.618    136.234  265.746    81.521   31.658  12.325  42.950  8.1199  -11.29255      14.75952 
1 1 1 -18 -24 55 f 24.174  8.8280  81.446     67.398   -37.7047   256.931  90.251     69.844   27.269  13.129  25.083  9.0115  2.186087       15.92434 
1 1 1 -18 -24 56 o 17.673  8.1738  -31.9949   82.613   0.0000     0.0000   -31.9949   82.613   ?       ?       17.673  8.1738  0.000000       8.173804 
1 1 1 -18 -24 57 o 25.576  9.5934  94.750     80.540   224.423    169.399  56.876     91.550   33.761  13.552  23.185  9.7037  10.57581       16.66814 
1 1 1 -18 -24 58 o 24.686  8.4717  88.217     61.234   92.988     131.125  86.886     69.249   26.843  11.441  24.655  8.9568  2.187618       14.52978 
1 1 1 -18 -24 59 o 13.104  6.2195  -51.0850   53.375   -13.6930   125.453  -59.3494   58.979   21.968  10.130  13.568  6.4676  8.399865       12.01826 
1 1 1 -18 -24 60 o 16.193  7.3022  -12.1315   60.706   16.079     134.235  -19.3847   68.065   23.593  10.726  16.676  7.6036  6.916317       13.14809 
1 1 1 -18 -24 61 o 19.950  9.1791  -19.1315   102.236  -204.6349  261.214  14.425     111.099  24.323  12.027  22.038  9.9137  2.285847       15.58596 
1 1 1 -18 -24 62 f 37.607  12.115  262.891    125.678  269.189    324.040  261.776    136.351  32.943  15.542  36.742  12.640  -3.799805      20.03299 
1 1 1 -18 -24 63 o 29.210  11.022  148.996    106.645  -78.1000   370.565  169.503    111.356  27.521  13.726  30.618  11.320  -3.096998      17.79225 
1 1 1 -18 -23 1  o 13.918  5.2818  17.924     24.577   18.615     95.004   17.875     25.443   22.741  9.7165  14.051  5.3640  8.689961       11.09878 
1 1 1 -18 -23 2  o 22.354  5.6562  65.303     30.704   -11.8787   72.635   82.095     33.879   18.529  8.1950  25.063  5.6998  -6.533831      9.982265 
1 1 1 -18 -23 3  o 54.331  3.9094  366.142    51.192   432.668    94.260   338.313    60.966   57.853  6.8478  51.889  4.9003  5.964005       8.420574 
1 1 1 -18 -23 4  o 69.956  3.7508  604.453    63.435   527.500    107.999  644.986    78.381   63.890  7.0860  71.989  4.5100  -8.098671      8.399493 
1 1 1 -18 -23 5  o 19.756  6.7669  46.360     39.063   38.162     70.575   49.981     46.903   21.912  8.7646  20.853  7.3960  1.059696       11.46823 
1 1 1 -18 -23 6  o 43.047  6.9139  240.365    69.772   0.0000     0.0000   240.365    69.772   ?       ?       43.047  6.9139  0.000000       6.913877 
1 1 1 -18 -23 7  o 50.702  4.2630  319.282    51.958   325.094    113.198  317.730    58.482   48.882  9.8836  50.410  4.8408  -1.527779      11.00537 
1 1 1 -18 -23 8  o 27.962  5.1913  100.026    33.925   35.971     62.685   126.559    40.344   21.032  8.3088  31.460  5.4846  -10.42799      9.955756 
1 1 1 -18 -23 9  o 52.358  3.8843  338.596    48.995   368.804    83.436   322.698    60.530   53.829  6.5212  50.819  4.9726  3.009689       8.200795 
1 1 1 -18 -23 10 o 86.248  3.6790  912.282    76.991   983.006    124.008  867.921    98.212   88.651  5.7970  83.658  4.8593  4.993248       7.564206 
1 1 1 -18 -23 11 o 57.777  3.8981  411.512    54.329   395.239    92.934   419.961    66.963   55.638  7.0416  58.138  4.7895  -2.500404      8.516042 
1 1 1 -18 -23 12 o 52.757  4.3878  344.704    55.658   380.561    123.882  335.635    62.300   53.413  9.9240  51.893  5.0101  1.519333       11.11698 
1 1 1 -18 -23 13 o 53.271  4.0205  350.126    51.585   318.265    87.784   366.931    63.755   49.749  7.5057  54.329  4.8887  -4.579952      8.957366 
1 1 1 -18 -23 14 o 55.784  3.9869  383.504    53.608   336.259    91.119   408.514    66.296   51.170  7.5671  57.385  4.8055  -6.214813      8.964001 
1 1 1 -18 -23 15 o 97.895  3.8348  1173.99    91.089   1084.60    144.841  1232.48    117.158  93.070  6.4537  100.021 4.8274  -6.951248      8.059396 
1 1 1 -18 -23 16 o 70.997  3.8211  619.039    65.584   597.483    108.859  631.320    82.171   68.929  6.5891  71.462  4.7662  -2.533401      8.132232 
1 1 1 -18 -23 17 o 63.659  4.0442  498.670    62.143   546.307    100.534  469.214    79.055   65.984  6.3579  61.413  5.3589  4.570980       8.315128 
1 1 1 -18 -23 18 o 85.002  4.3902  889.362    90.239   1090.57    179.052  820.855    104.478  92.657  8.0439  81.377  5.3205  11.27993       9.644305 
1 1 1 -18 -23 19 o 68.297  5.8696  581.859    96.324   488.915    149.208  648.273    126.128  60.754  10.502  71.574  7.3679  -10.81992      12.82848 
1 1 1 -18 -23 20 o 67.088  5.7205  560.755    92.231   432.654    148.005  642.084    117.929  56.796  11.138  71.417  6.8910  -14.62115      13.09720 
1 1 1 -18 -23 21 o 71.334  5.6812  633.269    97.519   733.325    155.804  568.824    125.041  75.613  8.6477  66.815  7.8634  8.798203       11.68822 
1 1 1 -18 -23 22 o 61.079  4.1062  459.301    60.502   437.414    99.849   471.998    76.053   58.736  7.1538  61.674  5.1287  -2.937771      8.802319 
1 1 1 -18 -23 23 o 91.044  6.3543  1035.50    139.493  1035.50    139.493  0.0000     0.0000   91.044  6.3543  ?       ?       0.000000       6.354331 
1 1 1 -18 -23 24 o 75.942  6.5477  723.491    119.473  723.491    119.473  0.0000     0.0000   75.942  6.5477  ?       ?       0.000000       6.547709 
1 1 1 -18 -23 25 o 74.845  7.1134  707.467    127.631  707.467    127.631  0.0000     0.0000   74.845  7.1134  ?       ?       0.000000       7.113415 
1 1 1 -18 -23 26 o 108.646 4.9944  1455.71    131.661  1443.58    170.808  1473.46    206.671  107.365 6.5885  107.709 7.9644  -0.3435669     10.33635 
1 1 1 -18 -23 27 o 48.626  6.6852  300.561    76.790   271.239    164.813  308.692    86.785   44.111  13.836  48.998  7.5415  -4.887836      15.75769 
1 1 1 -18 -23 28 o 53.346  6.4726  360.158    82.065   180.117    161.624  422.700    95.259   37.806  13.691  57.679  6.9461  -19.87322      15.35258 
1 1 1 -18 -23 29 o 49.051  6.8531  307.108    79.337   379.381    171.373  287.393    89.506   51.609  13.523  46.958  8.1513  4.651337       15.78936 
1 1 1 -18 -23 30 o 64.192  6.2270  519.123    95.769   760.269    191.710  438.933    110.551  75.310  10.800  58.262  8.0339  17.04834       13.46074 
1 1 1 -18 -23 31 o 91.180  4.0949  1022.20    90.596   1195.17    159.114  939.223    110.203  97.265  6.7845  86.883  5.2522  10.38180       8.579953 
1 1 1 -18 -23 32 o 44.761  5.1706  251.588    55.124   356.719    119.600  223.231    62.115   51.431  9.9436  41.776  6.3257  9.654922       11.78510 
1 1 1 -18 -23 33 o 32.964  6.0485  139.968    46.595   59.279     116.772  155.248    50.816   27.491  11.175  34.692  6.2673  -7.201111      12.81249 
1 1 1 -18 -23 34 o 49.119  5.0040  302.384    58.807   446.946    129.022  264.477    66.069   57.725  9.5452  45.535  6.1361  12.19028       11.34737 
1 1 1 -18 -23 35 o 51.457  4.8257  331.216    59.547   469.867    128.149  293.034    67.248   59.300  9.2047  48.015  5.8961  11.28508       10.93121 
1 1 1 -18 -23 36 o 20.087  7.1544  45.754     43.932   0.0000     0.0000   45.754     43.932   ?       ?       20.087  7.1544  0.000000       7.154387 
1 1 1 -18 -23 37 o 63.177  5.1384  501.020    78.086   0.0000     0.0000   501.020    78.086   ?       ?       63.177  5.1384  0.000000       5.138446 
1 1 1 -18 -23 38 o 52.956  5.1818  353.580    65.730   363.198    195.579  352.355    69.789   47.881  15.081  52.725  5.5379  -4.843864      16.06541 
1 1 1 -18 -23 39 o 24.954  7.2511  82.228     46.517   259.330    130.468  56.436     49.790   41.955  12.130  21.757  7.6293  20.19733       14.32968 
1 1 1 -18 -23 40 o 18.310  7.1192  29.947     45.406   -55.7395   65.207   110.603    63.264   15.159  7.0952  28.607  8.4960  -13.44756      11.06905 
1 1 1 -18 -23 41 o 38.280  7.1862  194.453    64.297   191.736    104.810  196.092    81.417   36.505  10.957  37.629  9.0318  -1.123970      14.19956 
1 1 1 -18 -23 42 o 67.615  5.8342  582.966    94.780   441.207    148.133  681.223    123.327  55.101  11.453  72.297  7.1229  -17.19594      13.48768 
1 1 1 -18 -23 43 o 74.045  4.0674  681.780    72.797   684.919    120.617  679.981    91.300   72.573  6.9341  73.409  5.1585  -0.8360214     8.642480 
1 1 1 -18 -23 44 o 90.135  4.2062  1009.67    91.992   997.589    151.250  1016.77    115.892  87.381  7.1977  89.654  5.3519  -2.272606      8.969381 
1 1 1 -18 -23 45 o 33.365  6.3866  146.921    49.820   113.003    97.020   159.068    58.060   29.293  10.608  34.420  7.1840  -5.126745      12.81162 
1 1 1 -18 -23 46 o 25.433  7.2586  87.103     47.002   80.501     94.354   89.281     54.206   26.526  10.277  25.747  7.9118  0.7792988      12.96943 
1 1 1 -18 -23 47 o 22.674  8.3434  60.664     60.364   286.685    136.404  5.6188     67.315   42.798  12.411  18.741  8.0954  24.05666       14.81794 
1 1 1 -18 -23 48 o 22.379  8.4934  56.173     63.556   25.615     137.783  64.432     71.632   25.852  11.367  23.682  9.0099  2.170717       14.50439 
1 1 1 -18 -23 49 o 14.228  6.2766  -6.8884    42.344   -116.8989  88.527   25.747     48.217   15.721  7.6027  17.958  7.2227  -2.236960      10.48655 
1 1 1 -18 -23 50 o 12.972  5.9367  -22.9286   41.991   39.321     88.281   -41.1300   47.736   22.737  9.5236  12.897  6.0472  9.840261       11.28130 
1 1 1 -18 -23 51 o 36.389  7.1555  181.803    60.926   201.767    107.366  172.321    73.994   35.758  11.159  34.442  8.8167  1.316555       14.22193 
1 1 1 -18 -23 52 o 22.510  8.1921  64.669     57.967   84.394     106.267  56.314     69.162   26.405  10.686  22.366  8.7613  4.038513       13.81882 
1 1 1 -18 -23 53 o 79.285  4.9294  807.768    94.361   704.063    159.035  864.113    117.225  68.700  9.8199  80.931  6.0125  -12.23074      11.51443 
1 1 1 -18 -23 54 o 27.369  8.5000  109.739    62.378   -63.6951   133.110  158.543    70.611   21.122  9.9641  32.618  8.7435  -11.49567      13.25638 
1 1 1 -18 -23 55 o 20.978  8.6409  41.537     70.984   -54.6873   261.158  49.213     73.761   27.284  13.161  21.760  8.8675  5.523922       15.86938 
1 1 1 -18 -23 56 o 24.623  9.4676  82.369     79.620   312.783    155.997  1.2005     92.588   40.074  13.524  20.224  9.0780  19.84971       16.28798 
1 1 1 -18 -23 57 o 29.552  9.8802  137.403    83.258   238.277    163.188  101.906    96.805   34.895  13.516  26.569  10.377  8.325794       17.04013 
1 1 1 -18 -23 58 o 25.157  8.6689  91.822     64.149   135.172    134.840  79.140     72.932   29.310  11.972  24.101  9.1100  5.209064       15.04387 
1 1 1 -18 -23 59 o 32.681  8.9319  162.398    72.848   -210.5694  153.829  270.224    82.711   18.930  9.3355  43.126  8.2040  -24.19647      12.42807 
1 1 1 -18 -23 60 o 35.424  8.3757  185.775    70.858   223.632    148.668  174.648    80.602   34.483  13.013  33.463  9.4897  1.019810       16.10604 
1 1 1 -18 -23 61 o 20.985  9.4554  4.1436     101.547  567.575    346.929  -48.6516   106.198  40.726  17.966  19.208  9.0105  21.51797       20.09892 
1 1 1 -18 -23 62 o 23.366  9.9996  54.556     100.914  50.172     361.184  54.928     105.100  29.879  14.649  23.594  10.154  6.285172       17.82409 
1 1 1 -18 -23 63 o 22.235  9.9021  30.708     107.867  182.296    332.973  12.935     114.015  30.765  14.845  21.804  9.9026  8.961075       17.84468 
1 1 1 -18 -22 1  o 23.190  6.8702  70.087     41.406   176.587    100.122  48.115     45.477   35.444  10.725  20.455  7.2798  14.98907       12.96231 
1 1 1 -18 -22 2  o 53.269  3.8996  351.690    50.054   304.063    94.941   370.024    58.905   47.662  8.5223  54.461  4.4979  -6.798664      9.636450 
1 1 1 -18 -22 3  f 40.385  4.0386  203.070    39.044   237.699    68.413   186.343    47.548   42.803  6.8158  38.329  5.2506  4.474491       8.603683 
1 1 1 -18 -22 4  o 40.859  4.5537  208.996    44.378   116.383    106.630  228.398    48.806   30.704  11.121  42.665  4.7977  -11.96094      12.11133 
1 1 1 -18 -22 5  f 22.158  6.6953  62.755     39.039   9.4376     55.168   116.229    55.250   17.829  7.5013  29.620  7.6380  -11.79066      10.70555 
1 1 1 -18 -22 6  o 56.440  5.5894  400.443    75.538   269.540    124.469  476.767    95.042   43.865  11.539  61.275  6.4913  -17.41032      13.23980 
1 1 1 -18 -22 7  o 46.792  5.7413  276.507    63.818   405.206    106.226  203.820    79.831   55.841  8.0744  39.127  8.6396  16.71384       11.82539 
1 1 1 -18 -22 8  o 11.652  5.1150  -6.3493    27.804   32.255     48.068   -25.7601   34.084   19.091  7.3520  11.443  5.2775  7.648198       9.050090 
1 1 1 -18 -22 9  o 107.466 4.2521  1419.71    110.876  1454.67    216.854  1407.34    129.014  106.452 8.4654  106.736 4.9815  -0.2837448     9.822371 
1 1 1 -18 -22 10 o 66.582  3.7347  544.725    60.092   470.629    96.673   591.382    76.713   61.027  6.6355  69.164  4.5973  -8.136890      8.072532 
1 1 1 -18 -22 11 o 74.912  3.7219  687.102    67.652   683.043    111.358  689.476    85.172   73.826  6.2760  74.691  4.7240  -0.8642731     7.855220 
1 1 1 -18 -22 12 o 32.695  5.1448  134.899    39.466   199.734    71.389   106.363    47.361   39.200  7.7800  28.624  6.8999  10.57598       10.39889 
1 1 1 -18 -22 13 o 116.259 3.9045  1655.11    110.142  1753.14    172.152  1587.17    143.312  118.768 5.9931  113.439 5.2066  5.328049       7.938923 
1 1 1 -18 -22 14 o 159.204 4.4028  3110.24    170.079  3100.97    257.581  3117.40    226.467  157.776 6.7284  158.682 5.8818  -0.9063263     8.936829 
1 1 1 -18 -22 15 o 43.311  4.6987  233.064    48.587   241.783    80.739   228.113    60.835   43.236  7.9904  42.514  6.0697  0.7224236      10.03435 
1 1 1 -18 -22 16 o 35.099  5.2015  154.855    42.958   131.106    71.678   168.167    53.663   31.707  8.9341  36.336  6.3158  -4.628860      10.94112 
1 1 1 -18 -22 17 o 31.952  5.9053  130.038    44.097   197.938    72.665   90.456     55.481   39.069  7.9361  26.648  7.9659  12.42134       11.24442 
1 1 1 -18 -22 18 f 104.292 3.8861  1330.41    98.340   1206.25    154.487  1415.00    127.511  98.386  6.5081  107.300 4.8976  -8.913452      8.145038 
1 1 1 -18 -22 19 o 40.798  7.3396  213.586    69.984   240.047    114.532  197.818    88.410   42.335  11.037  38.715  9.4858  3.619186       14.55291 
1 1 1 -18 -22 20 o 17.152  7.4351  -5.7447    57.190   -33.8446   101.205  7.4375     69.318   21.353  9.5444  19.804  8.3744  1.548790       12.69746 
1 1 1 -18 -22 21 o 46.129  7.7423  272.993    83.588   146.723    124.955  375.258    112.453  34.688  12.091  53.850  8.9186  -19.16194      15.02406 
1 1 1 -18 -22 22 o 99.002  6.2324  1218.68    148.951  1218.68    148.951  0.0000     0.0000   99.002  6.2324  ?       ?       0.000000       6.232399 
1 1 1 -18 -22 23 o 34.546  8.9189  156.680    75.275   156.680    75.275   0.0000     0.0000   34.546  8.9189  ?       ?       0.000000       8.918887 
1 1 1 -18 -22 24 o 27.068  9.3486  86.370     74.624   86.370     74.624   0.0000     0.0000   27.068  9.3486  ?       ?       0.000000       9.348632 
1 1 1 -18 -22 25 o 49.781  6.6454  313.249    78.264   276.698    100.041  370.907    125.649  45.894  9.3023  52.994  10.141  -7.100166      13.76127 
1 1 1 -18 -22 26 o 167.835 5.4536  3477.55    222.092  3925.41    287.785  2818.05    349.226  177.548 6.6802  148.009 9.7793  29.53937       11.84313 
1 1 1 -18 -22 27 o 114.005 4.1160  1593.19    113.856  1948.23    189.253  1391.79    142.536  125.242 6.2277  105.969 5.5629  19.27293       8.350475 
1 1 1 -18 -22 28 o 34.669  8.1895  157.760    67.794   237.948    157.606  139.554    75.096   41.876  13.575  32.565  9.1338  9.310986       16.36190 
1 1 1 -18 -22 29 o 69.801  6.0282  609.517    101.094  637.924    196.581  599.304    117.876  68.393  12.298  68.785  7.1680  -0.3911285     14.23442 
1 1 1 -18 -22 30 o 74.165  5.9668  687.931    106.467  552.612    204.107  738.513    124.789  62.508  13.824  76.529  6.7908  -14.02122      15.40205 
1 1 1 -18 -22 31 o 107.541 4.1372  1420.69    107.955  1573.52    181.022  1336.33    134.488  111.879 6.6992  103.734 5.3614  8.144432       8.580443 
1 1 1 -18 -22 32 o 18.567  7.0201  32.629     43.316   260.174    107.763  -11.2191   47.305   43.757  10.318  15.057  6.6387  28.69956       12.26903 
1 1 1 -18 -22 33 o 54.460  4.5711  368.387    59.844   516.521    114.519  312.737    70.191   63.386  7.5973  49.741  5.9327  13.64520       9.639286 
1 1 1 -18 -22 34 o 59.659  4.4096  441.318    63.380   625.347    123.192  375.073    73.912   69.837  7.3819  54.583  5.6632  15.25417       9.303974 
1 1 1 -18 -22 35 o 12.521  5.6937  -21.2907   37.838   0.0000     0.0000   -21.2907   37.838   ?       ?       12.521  5.6937  0.000000       5.693698 
1 1 1 -18 -22 36 o 45.576  5.6109  263.151    60.738   0.0000     0.0000   263.151    60.738   ?       ?       45.576  5.6109  0.000000       5.610882 
1 1 1 -18 -22 37 o 44.594  5.7799  253.143    61.070   0.0000     0.0000   253.143    61.070   ?       ?       44.594  5.7799  0.000000       5.779942 
1 1 1 -18 -22 38 o 63.848  4.7272  508.975    72.714   569.227    164.558  494.356    81.056   63.888  11.013  62.658  5.3838  1.229607       12.25862 
1 1 1 -18 -22 39 o 30.771  6.4685  124.304    46.763   90.701     94.658   135.152    53.784   27.854  10.410  31.909  7.1267  -4.055525      12.61542 
1 1 1 -18 -22 40 o 38.243  5.1603  185.939    46.661   194.725    84.445   182.077    55.984   37.508  9.3199  37.398  6.3996  0.1096306      11.30551 
1 1 1 -18 -22 41 o 51.801  6.2579  345.244    77.062   300.305    122.336  374.805    99.221   45.622  11.146  53.129  7.9404  -7.506882      13.68555 
1 1 1 -18 -22 42 o 48.427  6.8052  305.812    77.757   300.655    124.729  309.090    99.447   45.431  11.348  47.556  8.9466  -2.125710      14.45077 
1 1 1 -18 -22 43 o 24.579  6.7172  80.130     41.202   90.961     79.305   76.125     48.221   26.897  9.6089  24.092  7.4720  2.804476       12.17221 
1 1 1 -18 -22 44 o 67.242  4.3953  564.825    71.318   538.227    122.563  578.441    87.693   63.491  8.1435  67.566  5.3939  -4.075279      9.767875 
1 1 1 -18 -22 45 o 54.849  4.7997  379.116    63.234   367.603    112.255  384.467    76.531   51.507  9.3253  54.753  5.8512  -3.245377      11.00901 
1 1 1 -18 -22 46 o 51.961  4.9106  341.569    61.178   257.390    113.849  375.745    72.542   41.754  11.061  54.197  5.5969  -12.44334      12.39653 
1 1 1 -18 -22 47 o 47.856  7.2126  304.594    81.151   388.864    154.171  272.298    95.443   49.985  12.689  44.016  9.2314  5.969109       15.69188 
1 1 1 -18 -22 48 o 64.061  6.5226  536.050    99.972   774.163    181.535  432.401    119.771  73.311  10.506  55.599  9.1997  17.71140       13.96442 
1 1 1 -18 -22 49 o 67.155  6.0490  585.147    97.508   518.888    136.035  655.163    139.839  60.398  9.6040  68.982  8.5370  -8.583828      12.84977 
1 1 1 -18 -22 50 o 39.039  6.8277  205.015    62.320   59.973     111.927  270.185    75.026   25.689  10.739  44.737  7.1525  -19.04792      12.90261 
1 1 1 -18 -22 51 o 28.053  7.9505  110.800    56.593   156.536    101.465  90.147     68.184   32.095  10.906  25.702  8.9327  6.392723       14.09754 
1 1 1 -18 -22 52 o 41.912  6.4946  235.770    63.910   226.678    111.298  240.243    78.063   37.638  11.290  41.282  8.0825  -3.644466      13.88463 
1 1 1 -18 -22 53 o 59.105  5.5509  455.981    78.674   226.920    136.364  570.267    96.321   36.263  12.631  65.666  6.1156  -29.40219      14.03362 
1 1 1 -18 -22 54 o 44.057  7.1776  268.370    74.087   446.522    150.010  210.896    85.204   51.654  12.169  37.313  9.4121  14.34144       15.38411 
1 1 1 -18 -22 55 o 27.372  8.8062  110.814    66.418   29.976     133.956  137.165    76.481   24.479  10.958  29.952  9.4300  -5.473612      14.45711 
1 1 1 -18 -22 56 o 26.387  9.5701  101.914    79.009   50.304     154.651  120.142    91.909   26.124  11.729  28.069  10.300  -1.945129      15.60965 
1 1 1 -18 -22 57 o 29.593  10.171  137.941    88.287   92.868     173.441  153.705    102.570  28.300  12.583  30.705  10.932  -2.405188      16.66843 
1 1 1 -18 -22 58 o 18.654  7.9020  21.550     61.895   53.635     132.711  12.631     69.972   25.267  11.131  18.838  8.1951  6.429493       13.82236 
1 1 1 -18 -22 59 o 27.062  8.7598  108.575    65.643   -92.3301   144.564  160.758    73.677   20.979  10.035  32.528  9.0201  -11.54892      13.49297 
1 1 1 -18 -22 60 f 24.226  8.6493  82.225     64.246   99.420     144.889  78.017     71.677   27.834  11.949  24.033  9.0432  3.800787       14.98496 
1 1 1 -18 -22 61 o 25.911  10.739  86.014     110.578  99.712     326.888  84.244     117.506  31.036  14.910  26.049  10.953  4.986742       18.50037 
1 1 1 -18 -22 62 o 24.402  10.208  70.542     101.230  -219.4008  359.381  95.529     105.502  26.923  13.443  26.112  10.619  0.8114948      17.13086 
1 1 1 -18 -22 63 o 31.762  11.325  180.200    110.103  81.240     373.816  189.600    115.214  29.816  14.675  32.286  11.577  -2.470053      18.69137 
1 1 1 -18 -21 1  o 27.941  6.2986  102.170    41.681   -47.5287   98.865   134.529    45.966   19.996  9.1352  32.211  6.1047  -12.21525      10.98723 
1 1 1 -18 -21 2  o 66.306  3.7408  542.246    59.938   486.213    101.594  572.161    74.234   61.564  6.9210  67.860  4.5345  -6.295750      8.274213 
1 1 1 -18 -21 3  o 50.416  3.7613  314.005    45.681   372.185    80.086   285.947    55.616   54.129  6.2100  47.806  4.8623  6.323505       7.887086 
1 1 1 -18 -21 4  o 82.331  4.4801  838.844    89.161   833.049    121.918  845.507    130.727  81.309  6.2270  81.706  6.6517  -0.3972702     9.111575 
1 1 1 -18 -21 5  o 94.327  3.7617  1091.76    86.096   998.906    139.180  1149.31    109.578  89.030  6.4874  96.484  4.6806  -7.453270      7.999686 
1 1 1 -18 -21 6  o 123.003 7.5249  1920.35    223.504  0.0000     0.0000   1920.35    223.504  ?       ?       123.003 7.5249  0.000000       7.524883 
1 1 1 -18 -21 7  o 61.566  5.4641  473.058    80.776   431.298    134.068  496.856    101.207  56.925  10.075  62.654  6.7646  -5.729393      12.13546 
1 1 1 -18 -21 8  o 146.252 4.8741  2636.49    172.964  2316.19    337.940  2750.17    201.334  132.945 10.563  149.014 5.5683  -16.06956      11.94105 
1 1 1 -18 -21 9  o 84.770  3.7277  879.516    76.675   796.966    120.713  935.348    99.273   79.825  6.2831  87.068  4.7166  -7.243629      7.856460 
1 1 1 -18 -21 10 o 76.260  3.6858  711.346    68.200   600.702    107.354  786.218    88.311   69.217  6.4670  79.871  4.5758  -10.65401      7.922147 
1 1 1 -18 -21 11 f 72.226  3.7837  639.799    66.078   604.950    107.216  661.143    83.907   69.516  6.4292  73.199  4.7499  -3.682472      7.993487 
1 1 1 -18 -21 12 o 98.459  3.8149  1185.56    91.138   1129.01    143.904  1223.44    117.767  95.250  6.2614  99.771  4.8647  -4.521507      7.929060 
1 1 1 -18 -21 13 o 56.305  4.0678  389.964    55.200   332.501    89.864   424.783    69.952   51.112  7.4663  58.587  4.9676  -7.475037      8.967852 
1 1 1 -18 -21 14 o 52.495  4.3524  339.831    54.938   393.517    86.248   303.175    71.267   56.007  6.4654  49.166  6.1053  6.840759       8.892494 
1 1 1 -18 -21 15 o 35.595  5.5856  159.685    46.654   29.718     73.986   245.479    60.112   22.060  8.9207  44.270  5.7305  -22.21048      10.60276 
1 1 1 -18 -21 16 o 9.5086  4.6068  -54.3089   32.854   -0.0562    54.581   -85.1332   41.141   17.201  7.3575  9.9275  4.8827  7.273725       8.830263 
1 1 1 -18 -21 17 o 12.275  5.5302  -17.1842   34.721   1.7426     57.303   -28.1644   43.646   17.754  7.5648  13.288  6.0705  4.465217       9.699301 
1 1 1 -18 -21 18 o ?       ?       -125.7911  29.503   -242.5384  50.282   -64.4932   36.435   ?       ?       9.8125  4.7765  0.000000       4.776453 
1 1 1 -18 -21 19 o 60.559  6.4837  458.623    93.792   445.799    140.987  468.804    125.623  58.418  10.324  60.498  8.8171  -2.079903      13.57675 
1 1 1 -18 -21 20 o 61.171  6.3904  467.450    93.449   474.051    139.800  462.117    125.645  60.455  9.8711  60.029  8.8955  0.4262390      13.28790 
1 1 1 -18 -21 21 o 15.900  7.6744  -134.8115  89.153   -134.8115  89.153   0.0000     0.0000   15.900  7.6744  ?       ?       0.000000       7.674407 
1 1 1 -18 -21 22 o 17.465  8.3405  -125.9653  99.036   -125.9653  99.036   0.0000     0.0000   17.465  8.3405  ?       ?       0.000000       8.340498 
1 1 1 -18 -21 23 o 23.575  8.9187  52.599     69.938   52.599     69.938   0.0000     0.0000   23.575  8.9187  ?       ?       0.000000       8.918679 
1 1 1 -18 -21 24 o 37.081  6.3887  174.747    55.407   55.286     89.497   248.986    70.553   25.576  9.9809  44.324  6.7753  -18.74753      12.06324 
1 1 1 -18 -21 25 f 42.670  4.8630  226.359    49.450   197.815    95.737   236.745    57.750   38.670  10.095  43.484  5.6038  -4.814003      11.54604 
1 1 1 -18 -21 26 o 57.162  4.4970  403.072    61.869   516.520    125.261  366.465    71.155   63.613  8.3142  54.266  5.4790  9.347233       9.957138 
1 1 1 -18 -21 27 o 97.677  4.0403  1167.92    95.757   1419.21    163.836  1037.54    118.012  106.798 6.3511  91.613  5.3320  15.18504       8.292538 
1 1 1 -18 -21 28 o 63.765  6.1869  508.541    94.519   652.934    187.285  459.196    109.484  70.081  11.406  60.072  7.6877  10.00993       13.75496 
1 1 1 -18 -21 29 o 73.805  5.9785  679.242    106.144  646.300    202.455  691.730    124.649  68.970  12.560  74.113  7.0150  -5.143150      14.38660 
1 1 1 -18 -21 30 o 84.630  5.8375  891.679    119.138  853.530    213.836  908.851    143.469  80.084  11.320  84.967  7.0219  -4.882774      13.32099 
1 1 1 -18 -21 31 o 143.704 4.2952  2536.44    149.766  2902.40    233.173  2279.45    195.401  152.651 6.2953  135.472 5.9445  17.17969       8.658362 
1 1 1 -18 -21 32 o 59.146  4.4214  432.609    62.994   383.947    119.910  451.159    74.033   53.890  9.5184  60.218  5.1153  -6.328186      10.80582 
1 1 1 -18 -21 33 o 120.269 4.1802  1778.03    121.988  1895.41    197.303  1705.39    155.208  122.798 6.6466  117.251 5.4555  5.547455       8.598785 
1 1 1 -18 -21 34 o 90.377  5.1305  1014.94    112.045  0.0000     0.0000   1014.94    112.045  ?       ?       90.377  5.1305  0.000000       5.130547 
1 1 1 -18 -21 35 o 78.779  5.0980  772.633    96.927   0.0000     0.0000   772.633    96.927   ?       ?       78.779  5.0980  0.000000       5.098039 
1 1 1 -18 -21 36 o 51.413  5.5864  333.264    68.568   0.0000     0.0000   333.264    68.568   ?       ?       51.413  5.5864  0.000000       5.586421 
1 1 1 -18 -21 37 o 68.767  4.6966  588.417    77.897   843.566    179.165  528.944    86.501   79.617  9.4595  64.859  5.5499  14.75767       10.96742 
1 1 1 -18 -21 38 o 29.293  6.2396  111.979    42.991   220.870    73.958   56.406     52.835   40.870  7.7413  22.079  7.8478  18.79094       11.02345 
1 1 1 -18 -21 39 o 35.015  5.4485  156.733    44.786   195.882    78.683   137.971    54.470   37.993  8.7198  32.278  7.1437  5.714996       11.27243 
1 1 1 -18 -21 40 o 46.370  4.5897  269.447    50.961   340.483    87.221   232.626    62.795   51.076  7.2405  42.459  6.2851  8.617016       9.587925 
1 1 1 -18 -21 41 o 73.281  5.8250  681.171    102.719  736.277    155.847  638.846    136.584  74.203  8.8293  69.463  8.2660  4.740364       12.09475 
1 1 1 -18 -21 42 o 87.206  4.8716  951.938    102.669  1022.10    133.593  850.717    160.463  89.542  6.1868  80.062  8.3845  9.480133       10.41998 
1 1 1 -18 -21 43 o 53.683  3.8952  358.017    50.392   367.751    69.778   347.407    72.853   53.837  5.4151  52.119  5.8627  1.718525       7.980825 
1 1 1 -18 -21 44 o 30.869  5.4074  123.044    39.026   166.154    52.861   71.399     57.858   35.640  6.3454  23.897  8.2330  11.74319       10.39448 
1 1 1 -18 -21 45 o 45.116  4.3956  255.479    47.508   267.513    64.759   241.454    69.908   45.543  6.0068  42.804  6.9709  2.738594       9.201899 
1 1 1 -18 -21 46 o 29.827  6.1544  117.248    43.064   106.508    56.399   132.266    66.690   27.990  7.9383  30.941  8.5824  -2.950657      11.69077 
1 1 1 -18 -21 47 o 19.549  8.5811  -2.8898    78.243   -42.8890   120.335  26.406     102.985  21.924  10.040  23.644  10.110  -1.719826      14.24772 
1 1 1 -18 -21 48 o 36.454  9.7696  191.536    88.168   135.230    147.078  223.119    110.154  32.141  12.718  38.595  11.142  -6.454205      16.90808 
1 1 1 -18 -21 49 f 43.633  5.4457  245.432    56.400   252.514    64.980   223.799    113.564  43.855  6.2863  38.281  11.386  5.573975       13.00629 
1 1 1 -18 -21 50 o 33.725  5.7747  149.488    45.555   124.333    57.309   192.661    75.080   29.883  7.8150  36.918  8.5497  -7.035444      11.58323 
1 1 1 -18 -21 51 o 29.602  6.6215  118.969    46.369   119.942    57.345   117.130    78.809   29.225  7.8988  28.630  9.6124  0.5949078      12.44145 
1 1 1 -18 -21 52 o 22.977  7.0137  71.745     42.682   41.959     53.530   123.733    70.721   19.962  7.7386  29.201  9.0476  -9.239023      11.90569 
1 1 1 -18 -21 53 o 52.977  4.5044  357.636    57.352   332.063    75.132   393.346    88.782   49.891  6.3503  53.888  6.9522  -3.996700      9.415953 
1 1 1 -18 -21 54 o 69.110  4.3429  606.657    72.456   496.163    97.879   740.605    107.768  60.572  6.7757  74.929  5.9773  -14.35703      9.035399 
1 1 1 -18 -21 55 o 38.255  5.8123  195.230    52.253   126.495    66.209   308.746    85.086   29.205  8.6956  46.779  7.7688  -17.57352      11.66053 
1 1 1 -18 -21 56 o 8.6706  4.2526  -56.9624   30.529   -49.5368   33.096   -99.3525   79.074   9.5749  4.6350  14.809  7.1676  -5.233915      8.535742 
1 1 1 -18 -21 57 o 38.387  9.7890  229.317    91.461   168.184    166.767  255.614    109.378  31.561  13.143  39.364  11.017  -7.802784      17.14988 
1 1 1 -18 -21 58 o 24.579  8.6842  85.146     64.604   71.902     145.579  88.394     72.092   26.717  11.717  25.058  9.1334  1.659182       14.85603 
1 1 1 -18 -21 59 o 17.010  7.5234  -1.6823    61.221   -82.3956   148.827  14.757     67.166   21.612  10.294  18.758  8.0946  2.853456       13.09551 
1 1 1 -18 -21 60 o 15.632  7.1632  -25.0772   61.404   -133.5100  146.570  -1.9951    67.624   20.135  9.7489  17.721  7.8689  2.414394       12.52837 
1 1 1 -18 -21 61 o 17.016  8.1998  -102.9304  100.785  108.638    312.321  -127.5225  106.481  31.240  14.889  16.877  8.2037  14.36332       16.99966 
1 1 1 -18 -21 62 o 32.876  11.346  186.915    109.917  153.827    336.768  190.861    116.286  31.665  15.191  32.948  11.650  -1.283562      19.14376 
1 1 1 -18 -21 63 o 18.759  8.7192  -31.1427   95.763   -25.9973   356.564  -31.5427   99.415   28.497  14.083  19.057  8.8664  9.440378       16.64166 
1 1 1 -18 -20 1  o 95.410  6.8586  1157.07    157.720  0.0000     0.0000   1157.07    157.720  ?       ?       95.410  6.8586  0.000000       6.858597 
1 1 1 -18 -20 2  o 91.960  4.2247  1041.70    94.268   672.562    196.903  1151.46    107.373  69.549  12.108  96.555  4.5831  -27.00575      12.94622 
1 1 1 -18 -20 3  o 46.416  3.9781  266.569    44.371   207.544    76.481   296.515    54.475   39.650  8.2194  48.804  4.6568  -9.153336      9.446928 
1 1 1 -18 -20 4  o 42.530  3.9916  223.950    40.709   213.040    69.849   229.562    50.098   40.525  7.3752  42.850  4.9069  -2.324402      8.858356 
1 1 1 -18 -20 5  o 103.078 3.8351  1302.39    95.920   1190.72    153.598  1373.78    122.813  97.416  6.5360  105.562 4.7948  -8.145958      8.106151 
1 1 1 -18 -20 6  o 22.994  7.1177  66.375     43.779   111.056    73.602   41.911     54.461   29.439  9.2480  20.881  7.8773  8.557863       12.14817 
1 1 1 -18 -20 7  o 16.977  6.6522  22.150     39.881   94.998     66.130   -19.4874   49.996   27.488  8.7812  14.984  6.7023  12.50384       11.04673 
1 1 1 -18 -20 8  o 88.933  5.3636  978.981    115.198  1039.46    185.912  941.290    146.771  90.285  8.5900  86.576  7.0480  3.708679       11.11137 
1 1 1 -18 -20 9  o 96.190  3.7510  1131.24    87.547   991.430    136.503  1228.93    114.105  89.203  6.3481  100.038 4.7008  -10.83524      7.899101 
1 1 1 -18 -20 10 o 19.334  5.8391  46.549     29.698   117.683    46.757   -1.5528    38.449   30.247  6.5598  14.345  6.1566  15.90156       8.996379 
1 1 1 -18 -20 11 o 11.939  5.1508  -2.6056    27.182   10.138     42.028   -11.7698   35.640   16.086  6.6400  12.905  5.7224  3.180846       8.765575 
1 1 1 -18 -20 12 o 14.188  5.9257  5.1838     34.039   23.974     58.934   -4.2225    41.697   19.808  7.9787  14.721  6.3651  5.086850       10.20658 
1 1 1 -18 -20 13 o 7.0436  3.5600  -100.6875  29.588   -34.4146   46.323   -146.3620  38.456   13.404  6.1716  ?       ?       0.000000       6.171557 
1 1 1 -18 -20 14 o 104.035 3.9770  1322.39    100.391  1002.26    154.324  1557.25    132.182  89.601  7.1581  112.706 4.8335  -23.10510      8.637154 
1 1 1 -18 -20 15 f 83.566  3.7541  852.433    76.120   1057.03    120.688  717.283    98.091   92.603  5.3946  76.239  5.3363  16.36436       7.587993 
1 1 1 -18 -20 16 o 106.386 3.8821  1381.97    100.210  1234.57    155.402  1486.89    131.112  99.794  6.4524  110.140 4.9061  -10.34649      8.105716 
1 1 1 -18 -20 17 o 87.180  7.9092  953.501    165.486  782.856    213.035  1213.16    262.785  77.407  11.708  96.822  11.404  -19.41454      16.34450 
1 1 1 -18 -20 18 o 66.274  4.2910  539.160    68.632   393.030    106.381  643.352    89.827   55.621  8.1219  72.242  5.1585  -16.62122      9.621578 
1 1 1 -18 -20 19 o 170.356 5.5147  3565.55    227.952  3258.47    287.964  4080.94    373.055  162.082 7.3222  180.696 8.5086  -18.61440      11.22546 
1 1 1 -18 -20 20 o 53.394  10.650  373.499    133.132  373.499    133.132  0.0000     0.0000   53.394  10.650  ?       ?       0.000000       10.64955 
1 1 1 -18 -20 21 o 105.570 8.8375  1405.38    224.296  1405.38    224.296  0.0000     0.0000   105.570 8.8375  ?       ?       0.000000       8.837522 
1 1 1 -18 -20 22 o 87.003  9.9816  968.229    206.903  968.229    206.903  0.0000     0.0000   87.003  9.9816  ?       ?       0.000000       9.981563 
1 1 1 -18 -20 23 o 67.633  4.4491  562.105    72.605   574.163    115.671  554.266    93.266   67.690  7.1509  66.859  5.8067  0.8307266      9.211581 
1 1 1 -18 -20 24 o 96.239  3.9603  1131.59    92.478   1223.82    153.503  1079.04    115.865  99.332  6.4030  93.624  5.1197  5.707443       8.198206 
1 1 1 -18 -20 25 o 20.396  6.1900  51.702     33.315   -79.6787   78.254   80.784     36.818   16.367  7.6962  25.097  6.1045  -8.729818      9.823288 
1 1 1 -18 -20 26 o 27.580  6.3253  97.698     41.428   -114.0515  102.265  139.270    45.312   18.268  8.6524  33.143  5.8483  -14.87549      10.44348 
1 1 1 -18 -20 27 o 15.214  6.2524  9.7683     37.060   59.208     91.658   0.1065     40.519   26.064  10.120  14.883  6.3519  11.18132       11.94835 
1 1 1 -18 -20 28 o 15.747  7.0272  -20.2647   54.625   84.372     145.981  -37.3016   58.905   31.766  12.638  15.409  7.0444  16.35690       14.46892 
1 1 1 -18 -20 29 o 99.723  5.8724  1233.44    141.468  1446.32    251.321  1134.71    171.159  105.981 9.8874  94.986  7.4870  10.99447       12.40227 
1 1 1 -18 -20 30 o 85.024  6.0635  900.071    124.272  1303.12    239.136  750.955    145.455  100.374 9.9499  76.925  7.9053  23.44865       12.70805 
1 1 1 -18 -20 31 o 18.007  6.8198  29.799     40.923   81.105     102.309  20.027     44.651   28.367  10.774  17.435  6.9724  10.93105       12.83294 
1 1 1 -18 -20 32 o 31.450  6.4693  127.533    47.720   258.343    110.264  97.385     52.934   43.772  10.514  27.397  7.6630  16.37514       13.00994 
1 1 1 -18 -20 33 o 102.606 5.1742  1304.41    128.405  0.0000     0.0000   1304.41    128.405  ?       ?       102.606 5.1742  0.000000       5.174216 
1 1 1 -18 -20 34 f 34.804  6.7222  156.614    54.713   0.0000     0.0000   156.614    54.713   ?       ?       34.804  6.7222  0.000000       6.722167 
1 1 1 -18 -20 35 o 49.836  5.7098  312.862    67.798   0.0000     0.0000   312.862    67.798   ?       ?       49.836  5.7098  0.000000       5.709764 
1 1 1 -18 -20 36 o 97.734  3.8244  1173.35    90.693   1271.62    135.270  1093.10    122.236  100.918 5.5455  93.613  5.4044  7.304916       7.743369 
1 1 1 -18 -20 37 o 110.782 3.7595  1508.12    101.056  1623.11    145.695  1401.50    140.288  114.236 5.2563  105.911 5.4778  8.325104       7.591727 
1 1 1 -18 -20 38 o 61.663  3.7479  469.226    55.810   496.939    78.723   441.223    79.133   62.983  5.1977  59.182  5.5764  3.801147       7.623122 
1 1 1 -18 -20 39 o 38.886  4.3460  189.184    40.305   202.581    55.537   174.277    58.584   39.762  5.9384  36.506  6.8657  3.255558       9.077592 
1 1 1 -18 -20 40 f 51.565  3.8866  329.611    48.270   298.994    67.378   361.893    69.187   48.444  5.8506  53.533  5.4003  -5.088894      7.961954 
1 1 1 -18 -20 41 o 90.474  4.8903  1022.69    106.956  1020.30    138.457  1026.22    168.427  89.442  6.4226  88.601  7.9178  0.8400879      10.19521 
1 1 1 -18 -20 42 o 79.368  4.7910  787.479    91.832   786.599    117.080  788.886    148.043  78.556  6.1926  77.461  7.9915  1.095337       10.10998 
1 1 1 -18 -20 43 o 68.638  3.9110  583.945    64.866   583.377    98.746   584.376    86.032   67.605  6.0849  68.093  5.2475  -0.4876556     8.035073 
1 1 1 -18 -20 44 o 57.636  4.2974  414.408    59.667   401.174    79.741   431.243    89.941   56.005  5.9596  57.798  6.5277  -1.793293      8.838984 
1 1 1 -18 -20 45 o 70.038  4.1036  609.986    69.433   510.738    94.950   724.057    101.794  63.028  6.2927  75.562  5.5918  -12.53409      8.418206 
1 1 1 -18 -20 46 o 40.101  5.2464  205.313    49.824   167.787    63.619   264.836    80.125   35.242  7.6587  44.487  7.7018  -9.245342      10.86156 
1 1 1 -18 -20 47 o 51.131  8.1912  353.270    98.192   436.260    169.773  311.553    120.368  52.853  13.260  46.189  10.913  6.664150       17.17381 
1 1 1 -18 -20 48 o 64.854  7.2568  555.628    112.238  574.186    195.070  546.445    137.228  60.145  13.676  62.756  9.2929  -2.610718      16.53451 
1 1 1 -18 -20 49 o 52.734  4.5056  350.643    57.098   291.579    73.965   437.751    89.824   47.009  6.6718  57.841  6.5135  -10.83212      9.324083 
1 1 1 -18 -20 50 o 15.211  6.3419  10.438     38.893   -11.6831   47.068   58.056     69.057   14.665  6.5352  22.887  8.8126  -8.222014      10.97138 
1 1 1 -18 -20 51 o 26.594  6.7837  96.453     43.913   52.559     55.321   171.219    72.200   21.297  7.9582  34.640  8.6236  -13.34385      11.73452 
1 1 1 -18 -20 52 o 22.818  6.8456  70.506     40.919   58.454     49.980   95.008     71.261   21.526  7.6348  26.247  9.1315  -4.720522      11.90271 
1 1 1 -18 -20 53 o 12.481  5.5018  -5.4999    32.476   19.644     37.080   -88.3098   67.292   15.793  6.3403  13.800  6.6626  1.993120       9.197295 
1 1 1 -18 -20 54 f 13.922  6.0458  -0.0967    37.947   30.220     44.674   -78.6523   71.912   17.803  7.0203  14.728  7.0535  3.075130       9.951688 
1 1 1 -18 -20 55 o 11.792  5.4619  -25.5079   37.088   -23.9556   43.883   -29.3888   69.387   13.123  6.0289  16.494  7.5790  -3.371290      9.684459 
1 1 1 -18 -20 56 o 20.177  7.1230  52.317     43.455   64.093     47.627   -6.2048    106.172  21.828  7.4719  21.162  9.5893  0.6666355      12.15663 
1 1 1 -18 -20 57 o 60.948  5.3777  485.774    78.713   425.139    94.845   619.953    141.089  55.444  7.2214  64.716  9.2479  -9.271622      11.73341 
1 1 1 -18 -20 58 o 42.733  5.3788  240.182    54.537   178.671    71.168   327.690    84.885   34.811  8.4995  48.415  7.4659  -13.60391      11.31288 
1 1 1 -18 -20 59 o 18.962  6.9279  43.550     41.514   32.916     50.097   66.859     74.168   18.535  7.3943  23.303  9.0881  -4.768593      11.71624 
1 1 1 -18 -20 60 o 17.604  7.8268  -3.4356    67.100   288.803    312.663  -17.5450   68.701   35.757  16.301  16.981  7.7024  18.77653       18.02906 
1 1 1 -18 -20 61 o 22.845  10.171  22.038     113.709  0.0000     0.0000   22.038     113.709  ?       ?       22.845  10.171  0.000000       10.17085 
1 1 1 -18 -20 62 o 25.246  10.771  71.720     116.459  0.0000     0.0000   71.720     116.459  ?       ?       25.246  10.771  0.000000       10.77143 
1 1 1 -18 -19 1  o 59.106  5.2074  436.290    73.919   318.973    126.406  497.257    91.124   48.116  11.059  62.828  6.0523  -14.71208      12.60677 
1 1 1 -18 -19 2  o 35.998  5.7228  164.762    48.313   122.091    85.909   184.499    58.428   30.788  10.025  37.882  6.5963  -7.093271      12.00050 
1 1 1 -18 -19 3  o 23.713  5.1296  72.064     28.656   47.993     50.758   83.326     34.718   21.147  7.6705  25.426  5.7608  -4.279123      9.592876 
1 1 1 -18 -19 4  o 14.521  5.5273  18.546     26.967   2.9664     45.375   27.054     33.531   15.917  6.7554  16.681  6.2031  -0.7642593     9.171350 
1 1 1 -18 -19 5  o 117.390 3.9962  1688.20    113.825  1477.03    179.251  1830.89    147.345  108.598 6.8375  121.924 4.9806  -13.32561      8.459182 
1 1 1 -18 -19 6  o 79.472  4.4976  777.495    86.372   718.269    115.610  852.311    129.940  75.829  6.3417  82.572  6.5390  -6.743210      9.109046 
1 1 1 -18 -19 7  o 67.807  5.3517  569.729    87.334   526.884    144.123  594.591    109.786  63.733  9.6191  68.897  6.6499  -5.163769      11.69393 
1 1 1 -18 -19 8  o 94.331  5.4454  1099.24    124.108  1004.70    200.452  1158.00    158.043  88.577  9.4735  96.352  6.8038  -7.774933      11.66355 
1 1 1 -18 -19 9  o 108.817 4.2443  1448.96    112.064  1237.74    210.979  1531.97    132.265  98.798  8.8963  111.738 4.8785  -12.93956      10.14610 
1 1 1 -18 -19 10 o 48.305  3.9700  286.997    46.119   191.162    73.142   350.247    59.421   38.446  8.0965  53.273  4.6433  -14.82693      9.333472 
1 1 1 -18 -19 11 o 21.865  5.7969  60.933     31.254   86.242     48.686   43.193     40.762   26.010  7.3752  19.745  6.9042  6.264292       10.10252 
1 1 1 -18 -19 12 o 88.984  7.2254  987.588    154.656  0.0000     0.0000   987.588    154.656  ?       ?       88.984  7.2254  0.000000       7.225361 
1 1 1 -18 -19 13 o 115.084 3.9746  1617.05    110.987  1431.49    169.968  1754.99    146.544  107.508 6.5469  119.659 5.0473  -12.15094      8.266607 
1 1 1 -18 -19 14 o ?       ?       -191.2955  24.510   -200.6498  41.562   -186.3076  30.349   ?       ?       ?       ?       0.000000       ?        
1 1 1 -18 -19 15 o 28.996  6.2234  107.370    42.475   145.721    68.235   83.110     54.271   33.560  8.3994  25.816  7.9138  7.744684       11.54030 
1 1 1 -18 -19 16 o 111.356 3.9866  1513.47    107.716  1527.72    164.636  1502.81    142.432  111.266 6.1217  110.708 5.3023  0.5580368      8.098724 
1 1 1 -18 -19 17 o 188.572 4.8306  4351.87    221.024  4279.42    326.878  4412.90    300.000  185.990 7.2432  189.209 6.5345  -3.218719      9.755233 
1 1 1 -18 -19 18 o 108.198 4.0077  1428.79    105.214  1396.72    160.684  1452.86    139.207  106.347 6.2546  108.869 5.2698  -2.522171      8.178702 
1 1 1 -18 -19 19 o 104.239 6.2768  1342.25    158.016  1342.25    158.016  0.0000     0.0000   104.239 6.2768  ?       ?       0.000000       6.276775 
1 1 1 -18 -19 20 o 202.286 10.622  5186.90    519.521  5186.90    519.521  0.0000     0.0000   202.286 10.622  ?       ?       0.000000       10.62176 
1 1 1 -18 -19 21 f 126.827 9.3873  2026.51    286.829  2026.51    286.829  0.0000     0.0000   126.827 9.3873  ?       ?       0.000000       9.387335 
1 1 1 -18 -19 22 o 24.998  9.7921  49.656     86.392   129.107    144.312  5.2782     107.854  34.779  12.882  24.296  10.366  10.48328       16.53443 
1 1 1 -18 -19 23 o ?       ?       -90.5213   19.101   -247.8318  68.719   -77.3498   19.885   10.454  5.2976  ?       ?       0.000000       5.297585 
1 1 1 -18 -19 24 o 110.969 3.9421  1503.35    106.145  1492.26    167.320  1510.82    137.312  109.855 6.3035  111.012 5.0977  -1.157211      8.106860 
1 1 1 -18 -19 25 o 83.358  3.8802  848.306    78.481   935.613    130.259  798.552    98.332   86.905  6.2184  80.547  5.0570  6.358467       8.015041 
1 1 1 -18 -19 26 o 19.962  6.8689  45.177     40.268   -0.7674    99.854   54.099     44.005   23.029  9.9036  21.465  7.1829  1.564194       12.23421 
1 1 1 -18 -19 27 o 55.091  4.4659  373.925    59.183   185.805    119.537  435.012    68.118   37.849  11.769  59.388  4.7673  -21.53878      12.69768 
1 1 1 -18 -19 28 o 103.670 5.9986  1330.55    150.247  1293.15    273.000  1346.80    179.952  99.598  11.508  103.856 7.1852  -4.257530      13.56730 
1 1 1 -18 -19 29 o 101.965 6.0117  1288.66    148.077  1659.54    272.178  1132.73    176.480  113.763 9.9606  94.914  7.7301  18.84900       12.60826 
1 1 1 -18 -19 30 f 76.508  6.1091  728.685    112.463  891.633    233.115  679.255    128.392  81.904  12.094  73.451  7.3008  8.453026       14.12680 
1 1 1 -18 -19 31 o 84.849  3.7849  880.610    77.923   968.879    118.679  813.721    103.311  88.420  5.5601  81.088  5.2796  7.331070       7.667354 
1 1 1 -18 -19 32 o 110.505 5.2142  1506.17    139.810  0.0000     0.0000   1506.17    139.810  ?       ?       110.505 5.2142  0.000000       5.214241 
1 1 1 -18 -19 33 o 14.041  6.2532  -15.1072   43.024   0.0000     0.0000   -15.1072   43.024   ?       ?       14.041  6.2532  0.000000       6.253242 
1 1 1 -18 -19 34 o 28.739  7.4190  107.918    52.089   0.0000     0.0000   107.918    52.089   ?       ?       28.739  7.4190  0.000000       7.419014 
1 1 1 -18 -19 35 o 41.693  4.7727  217.159    47.413   265.812    75.474   185.441    60.939   45.482  7.0686  37.894  6.8810  7.587509       9.864717 
1 1 1 -18 -19 36 o 76.051  3.6220  709.168    66.838   674.947    95.410   742.145    93.661   73.545  5.3840  77.272  5.0227  -3.727707      7.363096 
1 1 1 -18 -19 37 o 87.247  3.6221  934.003    76.679   952.914    109.409  915.748    107.496  87.471  5.1780  85.737  5.1918  1.734177       7.332537 
1 1 1 -18 -19 38 o 108.187 3.7963  1438.95    99.654   1394.02    143.694  1480.60    138.324  105.516 5.6329  109.101 5.2253  -3.584366      7.683260 
1 1 1 -18 -19 39 o 143.433 4.1172  2537.63    143.290  2541.44    206.143  2534.07    199.314  142.256 5.9722  142.206 5.7764  0.5047607E-01  8.308644 
1 1 1 -18 -19 40 o 47.164  3.9990  276.224    45.333   259.389    63.551   293.665    64.685   45.067  5.9577  48.110  5.6487  -3.043140      8.209821 
1 1 1 -18 -19 41 o 21.419  6.7449  58.273     39.125   33.232     47.156   113.589    70.088   18.928  7.2841  29.139  9.0035  -10.21072      11.58105 
1 1 1 -18 -19 42 o 10.708  4.9852  -27.3202   31.510   -34.8672   36.033   -2.7908    64.961   11.197  5.2512  18.138  7.8935  -6.941415      9.480656 
1 1 1 -18 -19 43 o 21.185  6.3789  57.869     35.482   23.571     45.511   111.031    56.660   17.675  7.0489  28.728  7.8878  -11.05321      10.57847 
1 1 1 -18 -19 44 o 13.917  6.0532  -3.6569    38.158   -42.5894   46.985   71.773     65.400   12.858  6.0196  24.413  8.7255  -11.55472      10.60047 
1 1 1 -18 -19 45 o 95.543  3.9873  1129.57    92.438   1075.72    127.941  1188.39    133.702  92.113  5.7531  96.859  5.7143  -4.746323      8.108750 
1 1 1 -18 -19 46 o 86.706  3.9705  930.906    83.533   933.124    114.841  928.414    121.728  85.834  5.5437  85.371  5.9128  0.4627838      8.105202 
1 1 1 -18 -19 47 o 73.931  6.8373  710.506    121.264  711.165    209.121  710.172    148.843  68.424  13.072  72.534  8.6263  -4.110031      15.66215 
1 1 1 -18 -19 48 o 21.158  9.0324  16.853     81.974   -34.1116   127.946  52.340     106.766  22.936  10.445  25.452  10.551  -2.515646      14.84646 
1 1 1 -18 -19 49 o 36.711  5.5901  174.746    48.222   195.212    60.781   139.984    79.215   38.300  6.7890  31.382  9.5496  6.918209       11.71686 
1 1 1 -18 -19 50 o 37.216  5.7076  180.575    49.896   163.901    63.441   207.616    80.791   34.473  7.7704  38.282  8.8711  -3.809414      11.79303 
1 1 1 -18 -19 51 o 24.781  6.8661  83.486     42.708   117.097    52.427   17.179     73.637   29.121  7.4034  20.054  8.5611  9.066784       11.31822 
1 1 1 -18 -19 52 o 37.927  5.5675  188.099    49.709   175.989    63.860   206.719    79.186   35.605  7.6220  37.943  8.7758  -2.338055      11.62368 
1 1 1 -18 -19 53 o 16.494  6.4664  24.976     37.698   35.222     48.449   9.2561     60.014   18.793  7.3409  17.836  7.6741  0.9573536      10.61982 
1 1 1 -18 -19 54 f 22.035  6.9846  65.736     41.901   123.707    51.689   -45.3691   71.558   29.735  7.2334  16.079  7.4947  13.65616       10.41600 
1 1 1 -18 -19 55 o 21.911  6.9916  65.262     41.931   61.907     51.641   71.755     71.838   21.801  7.7576  23.728  9.0240  -1.927195      11.90010 
1 1 1 -18 -19 56 o 44.436  6.0358  263.788    63.394   304.240    74.565   158.305    120.408  47.300  6.6831  31.264  11.729  16.03604       13.49967 
1 1 1 -18 -19 57 o 38.074  6.5943  198.154    58.715   176.869    68.353   258.064    114.678  34.878  8.2127  39.419  11.365  -4.541489      14.02190 
1 1 1 -18 -19 58 o 46.808  5.2435  286.178    58.530   272.140    76.069   306.551    91.637   44.199  7.3513  45.985  8.5267  -1.786392      11.25812 
1 1 1 -18 -19 59 o 52.029  5.2090  352.393    64.877   136.184    84.668   659.864    100.968  29.794  9.9636  70.644  5.9457  -40.84996      11.60275 
1 1 1 -18 -19 60 o 40.096  11.804  272.753    122.566  409.386    330.677  250.992    131.965  38.927  17.337  37.727  12.432  1.200550       21.33330 
1 1 1 -18 -19 61 o 27.960  11.325  111.686    119.435  0.0000     0.0000   111.686    119.435  ?       ?       27.960  11.325  0.000000       11.32459 
1 1 1 -18 -19 62 o 26.480  11.080  91.380     119.338  0.0000     0.0000   91.380     119.338  ?       ?       26.480  11.080  0.000000       11.08044 
1 1 1 -18 -18 1  o 60.857  6.3207  466.665    91.974   0.0000     0.0000   466.665    91.974   ?       ?       60.857  6.3207  0.000000       6.320743 
1 1 1 -18 -18 2  o 59.366  5.1265  438.073    73.120   326.413    123.705  498.036    90.652   49.229  10.665  63.059  5.9969  -13.82945      12.23499 
1 1 1 -18 -18 3  o 51.968  3.6780  331.986    46.079   361.594    78.784   316.592    56.808   53.643  6.1650  50.536  4.6862  3.107025       7.743863 
1 1 1 -18 -18 4  o 115.790 3.9458  1641.08    110.860  1439.92    175.169  1775.48    143.182  107.353 6.7593  120.147 4.9115  -12.79395      8.355319 
1 1 1 -18 -18 5  f 41.503  4.2353  213.093    42.053   170.854    68.884   238.188    53.096   36.240  8.0436  43.724  5.1006  -7.483448      9.524473 
1 1 1 -18 -18 6  o 23.814  5.7857  72.695     33.101   54.838     52.557   84.435     42.615   22.217  7.8346  25.631  6.7564  -3.414793      10.34553 
1 1 1 -18 -18 7  o 30.897  7.7620  123.612    58.117   80.974     91.099   152.875    75.469   27.790  10.246  34.237  8.9751  -6.447216      13.62109 
1 1 1 -18 -18 8  o 102.507 5.6881  1296.77    140.920  947.568    224.740  1523.02    180.901  85.493  11.096  110.737 6.7651  -25.24369      12.99526 
1 1 1 -18 -18 9  o 86.845  3.6212  920.011    76.307   1020.51    119.953  851.701    98.897   90.993  5.4582  83.226  4.9192  7.767021       7.347827 
1 1 1 -18 -18 10 f 128.568 4.0504  2018.45    126.355  1656.97    192.553  2291.83    167.451  115.585 6.8971  136.753 5.0464  -21.16859      8.546180 
1 1 1 -18 -18 11 o 121.617 3.9178  1804.93    115.612  1776.15    176.754  1826.45    152.842  120.002 6.0904  122.079 5.1598  -2.077232      7.982275 
1 1 1 -18 -18 12 o 133.388 4.5677  2175.20    147.834  1968.80    276.328  2257.97    174.982  125.161 9.1626  135.719 5.3136  -10.55809      10.59191 
1 1 1 -18 -18 13 o 27.178  6.2217  94.415     40.144   79.954     66.572   102.677    50.323   26.132  8.8344  28.294  7.2860  -2.162355      11.45134 
1 1 1 -18 -18 14 o 84.968  3.8874  880.537    80.146   863.163    124.691  892.767    104.618  83.567  6.1936  85.250  5.0808  -1.682732      8.010884 
1 1 1 -18 -18 15 o 68.466  4.0918  574.003    67.665   548.864    104.589  592.100    88.738   66.457  6.5722  69.325  5.3159  -2.867554      8.452946 
1 1 1 -18 -18 16 o 72.030  4.0847  635.045    71.097   595.918    110.123  663.010    93.099   69.263  6.6337  73.395  5.2627  -4.131989      8.467684 
1 1 1 -18 -18 17 o 71.885  4.1592  632.680    72.237   661.602    111.597  611.823    94.769   73.082  6.3566  70.427  5.5918  2.655418       8.466111 
1 1 1 -18 -18 18 o 60.633  7.4896  460.939    107.845  460.939    107.845  0.0000     0.0000   60.633  7.4896  ?       ?       0.000000       7.489574 
1 1 1 -18 -18 19 o 73.903  7.1095  679.841    125.914  679.841    125.914  0.0000     0.0000   73.903  7.1095  ?       ?       0.000000       7.109519 
1 1 1 -18 -18 20 o 74.166  10.923  707.317    190.672  707.317    190.672  0.0000     0.0000   74.166  10.923  ?       ?       0.000000       10.92256 
1 1 1 -18 -18 21 o 76.456  6.2271  723.245    114.517  801.381    180.176  670.288    148.333  79.523  9.5274  72.957  8.5409  6.566246       12.79528 
1 1 1 -18 -18 22 o 87.852  5.8236  951.520    123.436  851.075    185.855  1030.79    165.111  81.963  9.5228  90.975  7.5479  -9.012512      12.15133 
1 1 1 -18 -18 23 o 15.385  6.3074  10.097     37.601   -3.4146    74.851   14.658     43.485   19.921  8.5708  16.821  6.8261  3.100048       10.95695 
1 1 1 -18 -18 24 o 130.716 4.1248  2086.00    130.827  2207.29    201.726  1997.95    171.874  133.935 6.2073  127.605 5.5511  6.330109       8.327395 
1 1 1 -18 -18 25 o 122.413 4.0674  1829.46    120.810  1933.14    186.818  1754.94    158.383  125.330 6.1433  119.593 5.4581  5.737053       8.217684 
1 1 1 -18 -18 26 o 133.447 4.2349  2175.89    137.125  2504.64    217.362  1958.56    176.731  142.568 6.2835  126.224 5.7704  16.34308       8.531083 
1 1 1 -18 -18 27 o 70.891  3.8338  615.206    65.700   628.758    100.504  605.093    86.820   71.249  5.8657  70.054  5.1437  1.194962       7.801493 
1 1 1 -18 -18 28 o 109.703 6.0217  1487.67    159.673  1648.30    285.689  1414.70    192.556  113.418 10.500  106.425 7.5049  6.993011       12.90661 
1 1 1 -18 -18 29 o 11.872  5.6998  -68.2458   47.617   -187.6300  176.498  -58.8744   49.450   23.923  11.341  12.651  5.9991  11.27251       12.83034 
1 1 1 -18 -18 30 o 19.982  8.1675  20.357     62.811   174.727    186.426  0.5894     66.712   39.165  14.614  19.000  8.1307  20.16451       16.72368 
1 1 1 -18 -18 31 o 37.131  6.4023  175.446    55.598   0.0000     0.0000   175.446    55.598   ?       ?       37.131  6.4023  0.000000       6.402312 
1 1 1 -18 -18 32 o 112.442 5.2890  1558.47    144.301  0.0000     0.0000   1558.47    144.301  ?       ?       112.442 5.2890  0.000000       5.289018 
1 1 1 -18 -18 33 o 50.152  5.6532  314.833    67.593   0.0000     0.0000   314.833    67.593   ?       ?       50.152  5.6532  0.000000       5.653186 
1 1 1 -18 -18 34 o 71.226  3.9383  623.657    67.798   772.966    104.770  516.088    88.928   78.848  5.5109  64.276  5.7632  14.57178       7.973986 
1 1 1 -18 -18 35 o 67.267  3.6176  555.654    58.829   581.908    83.594   529.894    82.805   68.452  5.0690  65.241  5.2760  3.210869       7.316459 
1 1 1 -18 -18 36 o 23.789  5.8802  73.204     33.748   52.493     46.549   96.154     49.001   21.278  7.3815  27.131  7.2883  -5.853729      10.37333 
1 1 1 -18 -18 37 o 89.080  3.7000  973.648    79.974   1042.85    114.522  907.782    111.730  91.565  5.1758  85.306  5.4261  6.259140       7.498761 
1 1 1 -18 -18 38 o 38.591  4.6932  186.744    43.040   175.995    55.269   203.307    68.607   36.948  6.3966  39.411  7.4474  -2.462662      9.817322 
1 1 1 -18 -18 39 o 21.911  6.2728  61.969     35.046   65.039     43.647   56.398     58.797   22.646  7.1229  22.590  8.2461  0.5556107E-01  10.89657 
1 1 1 -18 -18 40 o 64.581  3.9854  515.948    62.147   456.535    84.512   585.903    91.705   60.052  5.8753  68.222  5.5890  -8.169930      8.108958 
1 1 1 -18 -18 41 o 44.152  5.2375  246.460    55.015   187.290    68.055   358.056    93.462   37.524  7.7319  52.312  7.5844  -14.78852      10.83075 
1 1 1 -18 -18 42 o 47.513  5.2096  285.161    59.075   255.106    72.261   345.724    102.576  44.233  6.9631  50.784  8.6335  -6.551731      11.09147 
1 1 1 -18 -18 43 f 54.308  4.3305  367.681    56.590   295.893    79.811   440.262    80.250   47.583  7.1325  58.914  5.6845  -11.33083      9.120670 
1 1 1 -18 -18 44 o 36.446  5.7253  170.918    48.962   111.700    62.524   264.817    78.731   28.780  8.4191  44.758  7.5159  -15.97845      11.28583 
1 1 1 -18 -18 45 o 41.773  5.1150  221.375    50.762   188.772    65.950   268.768    79.513   37.620  7.4883  45.041  7.5423  -7.420967      10.62832 
1 1 1 -18 -18 46 o 22.679  6.8882  67.071     41.243   66.895     51.283   67.391     69.397   23.046  7.7540  24.172  8.9368  -1.126396      11.83177 
1 1 1 -18 -18 47 o 45.015  9.4098  282.501    99.469   127.123    160.470  379.455    126.759  32.680  13.165  51.612  10.480  -18.93159      16.82687 
1 1 1 -18 -18 48 o 72.183  7.2566  684.724    125.373  479.022    207.427  803.129    157.372  53.303  15.261  77.112  8.5550  -23.80911      17.49522 
1 1 1 -18 -18 49 o 14.413  6.2028  0.7957     39.226   -17.2945   48.030   37.027     67.973   14.495  6.5196  21.173  8.5545  -6.677761      10.75571 
1 1 1 -18 -18 50 o 50.998  4.5820  328.764    56.093   254.190    74.958   423.674    84.563   43.419  7.3792  57.039  6.2105  -13.62003      9.644768 
1 1 1 -18 -18 51 o 44.840  4.6508  255.637    49.865   259.986    68.070   250.601    73.254   44.286  6.5308  43.045  7.2728  1.240978       9.774687 
1 1 1 -18 -18 52 o 77.406  4.0310  751.171    75.449   821.541    105.810  678.383    107.613  79.877  5.4928  71.968  6.2238  7.909134       8.300990 
1 1 1 -18 -18 53 f 31.296  5.9599  130.759    43.604   64.036     58.561   213.782    65.323   22.571  8.2310  39.593  7.0585  -17.02159      10.84308 
1 1 1 -18 -18 54 o 19.304  7.0235  44.672     42.604   48.782     51.010   35.192     77.470   20.393  7.6376  21.351  8.9304  -0.9582615     11.75097 
1 1 1 -18 -18 55 o 13.869  6.0733  -2.6735    38.990   -15.8322   46.448   28.720     71.743   14.105  6.3716  20.317  8.5513  -6.211457      10.66406 
1 1 1 -18 -18 56 o 23.064  7.6191  73.120     49.556   44.591     56.339   170.651    104.170  20.257  7.9151  32.535  11.051  -12.27795      13.59297 
1 1 1 -18 -18 57 o 23.055  7.5507  73.275     48.709   81.800     55.196   43.268     103.552  24.186  8.0435  23.506  10.096  0.6805515      12.90860 
1 1 1 -18 -18 58 o 38.406  5.6129  195.280    50.761   151.228    63.912   270.548    83.542   32.281  8.1566  43.442  8.2267  -11.16193      11.58481 
1 1 1 -18 -18 59 o 16.593  6.6819  22.689     41.320   0.4841     50.321   68.649     72.396   15.826  6.9158  23.463  9.0263  -7.636534      11.37115 
1 1 1 -18 -18 60 o 47.010  11.317  358.547    127.530  -17.3714   335.253  422.147    137.897  30.339  14.703  51.074  11.415  -20.73472      18.61374 
1 1 1 -18 -18 61 o 20.735  9.4184  -9.6818    103.186  141.345    255.009  -39.2510   112.836  31.709  14.555  20.332  9.4550  11.37690       17.35637 
1 1 1 -18 -18 62 o 36.266  11.611  228.503    115.579  -74.8480   261.684  302.021    128.826  26.691  12.948  41.369  12.080  -14.67832      17.70822 
1 1 1 -18 -17 1  o 57.536  4.3655  408.680    60.490   0.0000     0.0000   408.680    60.490   ?       ?       57.536  4.3655  0.000000       4.365458 
1 1 1 -18 -17 2  o 62.939  5.0149  490.548    75.950   448.334    126.886  514.116    94.810   58.764  9.2008  64.116  6.1704  -5.351952      11.07831 
1 1 1 -18 -17 3  o 34.250  4.3035  145.918    34.974   120.787    58.687   159.758    43.553   30.483  7.8777  35.677  5.1828  -5.193483      9.429725 
1 1 1 -18 -17 4  o 86.150  3.6985  906.564    77.311   737.761    125.213  1010.57    98.283   76.825  6.7869  90.818  4.4601  -13.99258      8.121185 
1 1 1 -18 -17 5  o 68.591  3.6535  575.919    60.586   515.669    97.705   613.557    77.225   64.303  6.3448  70.638  4.5295  -6.334969      7.795681 
1 1 1 -18 -17 6  f 58.604  3.7850  420.979    53.535   308.817    84.301   496.784    69.304   49.405  7.2478  63.552  4.5238  -14.14733      8.543763 
1 1 1 -18 -17 7  o 116.440 5.7637  1667.19    162.843  1485.23    257.536  1788.40    210.198  108.090 9.9305  119.925 7.2578  -11.83470      12.30001 
1 1 1 -18 -17 8  o ?       ?       -154.4636  38.943   -243.8147  53.685   -55.2297   56.576   ?       ?       14.118  6.6080  0.000000       6.607976 
1 1 1 -18 -17 9  o 25.100  5.7754  80.413     34.443   66.780     52.162   90.952     45.863   23.694  7.8164  26.660  7.0005  -2.965425      10.49294 
1 1 1 -18 -17 10 o 121.542 3.9514  1802.06    116.530  1663.39    177.230  1907.67    154.662  116.114 6.3143  124.824 5.1065  -8.709419      8.120761 
1 1 1 -18 -17 11 o 145.230 4.2388  2574.56    149.369  2234.17    225.042  2842.61    199.702  134.439 6.9223  152.313 5.4036  -17.87468      8.781620 
1 1 1 -18 -17 12 o 71.875  4.2401  632.638    73.618   677.014    146.263  617.582    85.197   73.414  8.3599  70.885  4.9851  2.529388       9.733459 
1 1 1 -18 -17 13 o 174.947 4.6714  3739.53    198.300  3332.12    295.030  4075.24    267.817  164.271 7.4019  182.195 6.0581  -17.92320      9.564957 
1 1 1 -18 -17 14 o 33.409  5.9292  140.899    46.304   221.825    72.908   86.188     59.947   41.792  7.4637  26.493  8.3498  15.29862       11.19935 
1 1 1 -18 -17 15 f 59.201  4.3209  429.938    61.640   435.681    95.938   425.900    80.439   59.121  6.8124  58.677  5.7226  0.4440918      8.897039 
1 1 1 -18 -17 16 o 104.573 4.0518  1333.53    102.810  1142.69    160.352  1466.74    133.970  96.094  6.9236  109.519 5.0414  -13.42515      8.564610 
1 1 1 -18 -17 17 o 113.353 6.4828  1584.20    177.563  1584.20    177.563  0.0000     0.0000   113.353 6.4828  ?       ?       0.000000       6.482773 
1 1 1 -18 -17 18 o 118.604 9.1604  1760.78    261.576  1760.78    261.576  0.0000     0.0000   118.604 9.1604  ?       ?       0.000000       9.160353 
1 1 1 -18 -17 19 o 94.072  6.3430  1091.88    143.938  1091.88    143.938  0.0000     0.0000   94.072  6.3430  ?       ?       0.000000       6.343005 
1 1 1 -18 -17 20 o 55.584  6.7591  385.560    89.283   205.951    136.886  518.541    117.785  40.219  12.608  64.346  7.6968  -24.12737      14.77194 
1 1 1 -18 -17 21 o 27.443  9.4357  86.526     75.979   90.349     121.616  84.079     97.306   30.933  11.747  28.711  10.589  2.221260       15.81481 
1 1 1 -18 -17 22 o 165.800 6.3405  3378.61    255.077  3583.78    376.054  3203.77    347.145  169.336 9.1868  160.193 8.9671  9.142822       12.83765 
1 1 1 -18 -17 23 o 68.828  4.0597  579.858    67.499   727.454    113.207  498.444    84.078   76.721  6.1325  63.547  5.5073  13.17411       8.242500 
1 1 1 -18 -17 24 o 143.526 4.1894  2514.14    145.898  2654.73    210.403  2383.94    202.486  147.055 5.8967  139.327 5.9896  7.727768       8.405096 
1 1 1 -18 -17 25 o 117.849 4.2531  1695.69    121.617  1959.47    202.210  1546.20    152.226  125.944 6.6405  112.276 5.5878  13.66801       8.678679 
1 1 1 -18 -17 26 o 18.857  6.6162  38.876     37.447   89.958     64.216   12.555     46.096   27.088  8.6532  17.020  6.9814  10.06721       11.11839 
1 1 1 -18 -17 27 o 32.104  5.7373  130.311    43.051   199.329    68.817   85.930     55.183   39.501  7.4533  26.203  7.9698  13.29772       10.91189 
1 1 1 -18 -17 28 f 100.777 7.2082  1264.29    175.097  0.0000     0.0000   1264.29    175.097  ?       ?       100.777 7.2082  0.000000       7.208228 
1 1 1 -18 -17 29 o 55.359  6.9211  385.040    90.935   448.889    213.026  370.813    100.557  57.008  15.144  54.034  7.9034  2.973907       17.08214 
1 1 1 -18 -17 30 o 64.473  7.3235  522.960    112.535  0.0000     0.0000   522.960    112.535  ?       ?       64.473  7.3235  0.000000       7.323478 
1 1 1 -18 -17 31 o 82.004  5.1444  829.721    101.843  0.0000     0.0000   829.721    101.843  ?       ?       82.004  5.1444  0.000000       5.144429 
1 1 1 -18 -17 32 o 24.445  7.6036  74.650     49.893   0.0000     0.0000   74.650     49.893   ?       ?       24.445  7.6036  0.000000       7.603584 
1 1 1 -18 -17 33 o 71.782  3.9501  632.658    68.536   650.041    102.057  618.380    92.496   72.253  5.8721  70.589  5.4423  1.664093       8.006309 
1 1 1 -18 -17 34 o 69.394  3.7983  591.244    63.713   492.286    87.130   704.967    93.404   62.794  5.7835  75.439  5.1333  -12.64563      7.733041 
1 1 1 -18 -17 35 f 107.929 3.8388  1427.42    100.532  1291.49    141.167  1567.29    143.202  101.890 5.7333  112.611 5.2409  -10.72070      7.767708 
1 1 1 -18 -17 36 o 93.901  3.8141  1081.22    86.902   1008.48    120.725  1159.44    125.193  89.994  5.5558  96.600  5.3623  -6.605949      7.721445 
1 1 1 -18 -17 37 o 8.2589  4.0483  -53.9523   27.537   -90.2244   33.520   21.345     48.295   8.1720  4.0839  17.998  7.2321  -9.825819      8.305563 
1 1 1 -18 -17 38 o 52.898  4.1226  346.403    52.496   377.952    71.131   308.664    77.798   54.885  5.4116  49.105  6.7047  5.780479       8.616172 
1 1 1 -18 -17 39 f 79.152  3.8072  770.182    73.120   695.221    100.610  854.098    106.450  74.439  5.6115  82.674  5.3350  -8.234589      7.742871 
1 1 1 -18 -17 40 o 45.248  4.4877  255.598    48.620   245.479    63.728   269.689    75.208   43.796  6.1679  45.611  7.0209  -1.815029      9.345312 
1 1 1 -18 -17 41 o 58.068  4.9600  422.273    69.214   369.787    87.434   510.370    113.276  53.539  6.8905  62.639  7.6092  -9.100643      10.26545 
1 1 1 -18 -17 42 o 82.671  4.8293  852.754    96.451   762.174    123.241  995.927    154.942  77.193  6.6445  87.827  7.3379  -10.63393      9.899249 
1 1 1 -18 -17 43 o 30.744  6.0023  122.972    43.170   127.260    56.012   116.699    67.752   30.837  7.5471  29.433  8.8038  1.404184       11.59593 
1 1 1 -18 -17 44 o 61.514  4.3495  471.292    64.502   428.021    83.161   536.629    102.189  57.931  6.0034  64.608  6.6117  -6.677654      8.930614 
1 1 1 -18 -17 45 o 30.264  6.3887  120.445    45.442   117.279    54.301   127.845    83.009   29.550  7.5465  30.659  9.8429  -1.108746      12.40295 
1 1 1 -18 -17 46 o 41.825  7.8360  234.286    76.600   347.362    150.103  194.468    89.072   47.989  12.695  37.203  9.7495  10.78674       16.00663 
1 1 1 -18 -17 47 o 60.394  7.3263  479.019    105.163  264.946    188.871  575.207    126.603  40.999  14.808  65.706  8.1134  -24.70668      16.88477 
1 1 1 -18 -17 48 o 40.539  8.2272  224.260    78.160   314.387    162.421  197.099    89.163   44.417  13.703  37.218  9.7550  7.198795       16.82060 
1 1 1 -18 -17 49 o 25.018  6.5238  83.694     40.012   148.161    49.708   -34.9424   67.432   33.479  6.3516  16.383  7.5069  17.09636       9.833429 
1 1 1 -18 -17 50 o 18.423  6.5427  39.754     36.715   63.786     44.863   -8.9845    63.889   22.160  7.2460  17.332  7.6746  4.828115       10.55477 
1 1 1 -18 -17 51 o 21.562  6.7297  61.303     39.046   34.286     49.779   104.507    62.948   18.996  7.4351  27.410  8.5431  -8.414227      11.32546 
1 1 1 -18 -17 52 o 23.890  6.7498  77.446     40.856   59.339     51.977   106.722    66.090   21.808  7.7804  27.539  8.7765  -5.730782      11.72868 
1 1 1 -18 -17 53 o 26.636  6.4175  96.467     40.985   115.986    54.195   70.390     62.642   28.760  7.6377  23.452  8.5190  5.307350       11.44147 
1 1 1 -18 -17 54 o 30.686  6.5830  128.576    47.546   144.974    59.189   98.748     79.830   32.042  7.7072  26.623  9.6252  5.418222       12.33067 
1 1 1 -18 -17 55 o 38.338  5.7636  194.768    51.957   230.823    66.662   138.970    82.929   41.071  6.9364  30.297  9.8489  10.77394       12.04629 
1 1 1 -18 -17 56 f 31.316  7.3280  137.996    54.694   130.656    62.635   161.562    112.232  29.956  8.3203  31.742  11.421  -1.785370      14.13056 
1 1 1 -18 -17 57 o 24.825  7.6207  86.761     50.305   89.789     56.880   75.889     107.781  25.179  8.1545  25.695  10.622  -0.5152569     13.39116 
1 1 1 -18 -17 58 o 42.389  5.6156  236.945    56.336   224.572    73.048   255.104    88.499   39.822  7.8392  41.564  9.0333  -1.742062      11.96046 
1 1 1 -18 -17 59 o 35.514  6.1283  169.634    50.900   150.902    63.477   203.371    85.187   32.340  8.1053  36.655  9.5000  -4.315125      12.48785 
1 1 1 -18 -17 60 o 45.711  11.209  337.059    123.374  223.249    284.669  363.379    136.899  34.687  15.712  46.568  12.030  -11.88125      19.78844 
1 1 1 -18 -17 61 o 22.883  9.9462  34.408     102.887  324.866    240.134  -30.9012   113.868  37.881  15.773  20.755  9.5983  17.12572       18.46387 
1 1 1 -18 -17 62 o 34.222  11.566  202.308    114.098  -15.6120   257.388  255.605    127.288  27.699  13.286  37.770  12.195  -10.07115      18.03460 
1 1 1 -18 -16 1  o 40.589  4.4936  204.486    43.514   0.0000     0.0000   204.486    43.514   ?       ?       40.589  4.4936  0.000000       4.493649 
1 1 1 -18 -16 2  o 101.110 5.3789  1261.90    131.488  859.712    206.849  1534.61    170.331  81.249  10.757  111.169 6.3409  -29.92026      12.48660 
1 1 1 -18 -16 3  o 36.979  4.0717  169.167    35.928   194.595    61.167   155.773    44.394   39.127  6.6828  35.210  5.3659  3.916737       8.570472 
1 1 1 -18 -16 4  o 87.805  3.6985  940.922    78.797   768.400    125.412  1053.45    101.285  78.568  6.6407  92.775  4.4994  -14.20704      8.021464 
1 1 1 -18 -16 5  o 72.431  3.5275  639.701    61.995   844.842    98.615   505.650    79.717   82.899  4.9247  64.009  5.1771  18.89018       7.145284 
1 1 1 -18 -16 6  o 60.688  4.0212  451.508    58.878   421.056    111.371  463.319    69.363   57.652  8.1919  61.366  4.6940  -3.714294      9.441447 
1 1 1 -18 -16 7  o 170.657 6.7095  3590.54    277.827  3073.34    425.884  3973.70    366.568  155.223 11.387  178.697 8.4542  -23.47359      14.18237 
1 1 1 -18 -16 8  o 28.885  8.0988  106.440    59.053   53.128     92.301   143.383    76.836   25.868  10.125  33.371  9.1949  -7.503029      13.67677 
1 1 1 -18 -16 9  o 14.290  5.7804  10.716     31.074   -82.7013   45.956   89.402     42.177   10.975  5.3472  26.444  6.5954  -15.46924      8.490701 
1 1 1 -18 -16 10 o 47.491  4.1235  277.144    47.045   250.766    71.787   297.000    62.283   44.640  6.8462  48.976  5.3270  -4.335941      8.674514 
1 1 1 -18 -16 11 o 131.769 4.5210  2119.85    144.548  1791.08    261.980  2263.75    173.318  119.660 9.0911  136.018 5.2515  -16.35793      10.49886 
1 1 1 -18 -16 12 o 163.249 4.5060  3253.17    178.488  2985.83    266.575  3470.42    240.305  155.706 7.0558  168.248 5.8864  -12.54193      9.188826 
1 1 1 -18 -16 13 o 67.408  4.1620  556.192    67.740   691.336    103.524  455.003    89.580   74.908  5.7394  60.593  6.1794  14.31453       8.433582 
1 1 1 -18 -16 14 f 88.270  4.1200  950.001    88.241   899.102    136.839  986.233    115.452  85.281  6.6659  89.633  5.3326  -4.351349      8.536424 
1 1 1 -18 -16 15 o 13.348  6.1602  -36.7853   46.542   -82.0270   73.238   -6.1386    60.278   15.617  7.3743  17.719  7.6571  -2.101941      10.63070 
1 1 1 -18 -16 16 o 156.619 5.3404  3000.54    202.948  2819.83    258.102  3293.24    328.483  151.376 7.0270  162.923 8.3372  -11.54689      10.90359 
1 1 1 -18 -16 17 o 185.394 7.2683  4233.63    326.959  4233.63    326.959  0.0000     0.0000   185.394 7.2683  ?       ?       0.000000       7.268336 
1 1 1 -18 -16 18 o 145.585 6.5329  2603.20    230.774  2603.20    230.774  0.0000     0.0000   145.585 6.5329  ?       ?       0.000000       6.532902 
1 1 1 -18 -16 19 o 14.826  6.5118  -11.2926   45.114   -17.2003   72.919   -7.6290    57.424   18.839  8.2764  17.172  7.4472  1.667101       11.13371 
1 1 1 -18 -16 20 f 87.126  5.9017  934.506    124.029  958.798    188.564  915.983    164.662  87.429  9.0182  85.734  8.0082  1.694870       12.06061 
1 1 1 -18 -16 21 o 58.252  5.0331  417.797    70.440   434.193    96.331   398.956    103.263  59.033  6.8528  56.343  7.7592  2.689781       10.35214 
1 1 1 -18 -16 22 o 154.621 5.8001  2930.11    217.604  3166.56    298.236  2660.94    318.210  160.131 7.6757  146.045 9.0239  14.08603       11.84687 
1 1 1 -18 -16 23 f 126.327 3.9639  1945.52    121.503  2022.71    175.996  1875.23    167.948  128.488 5.6452  123.726 5.5944  4.762009       7.947630 
1 1 1 -18 -16 24 o 56.820  3.9698  395.549    54.387   409.159    80.562   384.151    73.722   57.472  5.8591  55.735  5.5241  1.736584       8.052642 
1 1 1 -18 -16 25 o 27.165  6.1551  94.188     39.632   90.560     61.226   96.805     51.994   27.056  8.4242  27.552  7.5525  -0.4966259     11.31404 
1 1 1 -18 -16 26 f 46.114  4.5566  262.301    50.318   289.212    79.140   244.041    65.191   47.944  7.0101  44.133  6.2635  3.810429       9.400709 
1 1 1 -18 -16 27 o 175.273 4.5803  3755.18    194.791  4004.02    281.547  3526.71    269.781  180.330 6.4346  169.186 6.5718  11.14305       9.197376 
1 1 1 -18 -16 28 o 68.181  6.8334  579.408    111.526  513.171    202.428  608.276    133.638  61.746  13.852  69.519  8.0728  -7.773300      16.03292 
1 1 1 -18 -16 29 f 49.881  10.428  325.769    122.146  0.0000     0.0000   325.769    122.146  ?       ?       49.881  10.428  0.000000       10.42770 
1 1 1 -18 -16 30 o 98.318  7.9128  1211.89    187.169  0.0000     0.0000   1211.89    187.169  ?       ?       98.318  7.9128  0.000000       7.912826 
1 1 1 -18 -16 31 o 38.346  7.3650  188.675    66.035   0.0000     0.0000   188.675    66.035   ?       ?       38.346  7.3650  0.000000       7.364953 
1 1 1 -18 -16 32 o 124.961 4.1580  1911.11    126.074  2119.83    182.786  1721.71    174.121  131.088 5.7467  117.864 6.1094  13.22388       8.387438 
1 1 1 -18 -16 33 f 37.784  4.6452  177.799    41.690   191.411    54.505   158.609    64.719   38.919  5.9618  34.919  7.8315  3.999226       9.842505 
1 1 1 -18 -16 34 f 56.534  4.1309  393.752    56.274   376.084    74.927   416.613    85.231   54.863  5.7123  57.632  6.1920  -2.769173      8.424484 
1 1 1 -18 -16 35 o 40.932  4.7013  208.778    45.845   238.963    60.574   168.305    70.142   43.524  5.8868  35.792  8.2464  7.732479       10.13200 
1 1 1 -18 -16 36 o 99.899  3.8895  1223.74    94.279   1159.45    131.494  1291.74    135.245  96.523  5.6390  101.965 5.4867  -5.441551      7.867796 
1 1 1 -18 -16 37 o 125.770 4.0873  1943.71    124.732  1829.09    177.199  2056.29    175.608  121.105 6.0302  128.633 5.6263  -7.528206      8.247395 
1 1 1 -18 -16 38 o 46.305  4.4240  266.628    49.101   211.237    65.302   338.678    74.477   40.435  6.9038  51.738  6.0467  -11.30351      9.177375 
1 1 1 -18 -16 39 o 46.404  4.4200  268.054    49.165   254.400    64.612   286.832    75.774   44.681  6.1206  47.236  6.8079  -2.554832      9.154751 
1 1 1 -18 -16 40 o 63.402  4.0084  497.011    61.347   416.831    83.803   589.591    90.050   57.313  6.1209  68.548  5.4594  -11.23512      8.201815 
1 1 1 -18 -16 41 o 76.378  4.9291  727.840    90.860   744.968    116.181  700.868    145.796  76.612  6.3059  73.095  8.3714  3.517662       10.48066 
1 1 1 -18 -16 42 o 71.874  4.8357  644.911    83.843   563.601    105.885  781.586    137.280  66.328  6.6696  77.776  7.3620  -11.44809      9.933937 
1 1 1 -18 -16 43 o 12.856  5.5580  -2.2108    31.787   27.538     37.708   -75.2593   59.089   17.141  6.5333  13.397  6.4101  3.743682       9.152735 
1 1 1 -18 -16 44 o 45.191  4.9591  257.436    53.484   247.048    66.636   276.246    89.666   43.693  6.4820  45.333  8.4630  -1.640656      10.66013 
1 1 1 -18 -16 45 o 39.988  5.1328  202.918    48.652   173.437    63.531   244.723    75.653   36.060  7.5052  42.996  7.5258  -6.936066      10.62854 
1 1 1 -18 -16 46 o 47.809  6.3914  295.458    72.288   375.540    153.186  272.516    81.991   50.085  12.613  45.258  7.7448  4.826939       14.80065 
1 1 1 -18 -16 47 o 61.144  6.8254  485.628    99.535   544.135    188.749  463.090    117.147  59.672  13.368  58.688  8.4719  0.9843369      15.82636 
1 1 1 -18 -16 48 o 56.624  7.1624  421.455    96.206   387.692    184.809  434.006    112.678  48.714  14.533  56.654  8.4557  -7.939774      16.81416 
1 1 1 -18 -16 49 o 17.871  6.5966  34.426     37.781   52.440     46.328   -1.3366    65.278   20.865  7.3560  18.081  7.8896  2.784636       10.78687 
1 1 1 -18 -16 50 f 10.481  4.8837  -25.9251   30.346   -27.3602   36.192   -22.5270   55.690   11.633  5.3908  15.345  6.9500  -3.712094      8.795586 
1 1 1 -18 -16 51 o 47.944  4.5696  291.187    52.516   276.428    69.216   311.209    80.619   45.800  6.4035  48.221  7.1031  -2.420555      9.563354 
1 1 1 -18 -16 52 o 34.938  5.5966  159.811    45.843   172.830    58.382   138.874    74.034   35.683  6.9931  30.996  9.1874  4.686529       11.54612 
1 1 1 -18 -16 53 o 23.795  6.7970  77.196     41.196   34.052     51.733   151.971    68.106   19.048  7.5408  32.532  8.5250  -13.48395      11.38156 
1 1 1 -18 -16 54 o 12.345  5.5860  -15.1277   35.877   0.9954     40.015   -81.2217   81.017   14.399  6.2306  15.843  7.5600  -1.444386      9.796629 
1 1 1 -18 -16 55 o 40.506  5.7695  216.890    55.102   162.579    68.654   315.216    92.375   33.461  8.4531  47.021  8.4051  -13.55948      11.92055 
1 1 1 -18 -16 56 o 18.566  7.0525  37.974     43.846   42.842     47.586   10.602     112.838  19.428  7.3551  22.617  10.096  -3.188602      12.49090 
1 1 1 -18 -16 57 o 11.570  5.3565  -24.7136   35.602   13.498     38.464   -253.2048  94.057   15.281  6.3336  13.017  6.5508  2.263927       9.111891 
1 1 1 -18 -16 58 o 14.595  6.2999  2.5064     40.709   -1.8465    48.237   13.279     75.886   15.382  6.7452  19.684  8.5489  -4.302003      10.88947 
1 1 1 -18 -16 59 f 18.340  6.9084  37.540     41.852   23.720     49.205   73.693     79.584   17.658  7.2246  24.318  9.4334  -6.659798      11.88207 
1 1 1 -18 -16 60 o 29.949  11.530  137.000    118.194  63.901     264.330  155.268    132.140  30.537  14.290  31.245  12.146  -0.7078552     18.75443 
1 1 1 -18 -16 61 o 21.559  9.6446  6.6495     103.582  138.766    260.306  -18.2061   112.906  31.873  14.658  21.194  9.7125  10.67818       17.58372 
1 1 1 -18 -16 62 o 13.285  6.6456  -207.2465  89.762   -603.2050  245.139  -145.9375  96.461   19.467  9.8797  15.382  7.5472  4.085007       12.43253 
1 1 1 -18 -15 1  o 73.622  4.4257  666.129    78.693   0.0000     0.0000   666.129    78.693   ?       ?       73.622  4.4257  0.000000       4.425734 
1 1 1 -18 -15 2  o 108.102 5.2909  1435.42    138.780  1347.50    215.520  1497.70    181.391  103.344 8.6751  109.769 6.8445  -6.424446      11.05008 
1 1 1 -18 -15 3  o 75.372  3.6105  692.918    66.029   606.954    107.564  744.899    83.643   69.861  6.4173  77.918  4.4426  -8.056343      7.804976 
1 1 1 -18 -15 4  o 49.133  3.7508  296.135    44.378   272.672    71.106   311.105    56.797   46.616  6.4601  50.210  4.7173  -3.593891      7.999065 
1 1 1 -18 -15 5  o 20.218  5.0507  51.998     24.705   84.028     38.812   30.179     32.033   25.635  6.2875  17.013  6.1039  8.621565       8.763011 
1 1 1 -18 -15 6  o 125.250 3.9942  1913.51    121.387  1591.59    186.388  2150.60    159.961  113.458 6.8019  132.587 4.9722  -19.12946      8.425444 
1 1 1 -18 -15 7  o 92.284  5.5375  1047.07    123.422  851.577    201.986  1163.56    155.915  81.772  10.417  97.019  6.6635  -15.24724      12.36568 
1 1 1 -18 -15 8  o 45.300  6.3154  256.715    67.530   240.399    108.454  267.046    86.300   42.957  10.495  45.822  8.0561  -2.864155      13.23034 
1 1 1 -18 -15 9  o 114.862 4.4108  1609.99    122.931  1515.83    247.805  1640.72    141.580  109.966 9.3769  115.851 5.0366  -5.885170      10.64392 
1 1 1 -18 -15 10 o 196.260 4.9022  4705.88    233.447  4418.75    345.454  4947.21    316.704  189.286 7.5216  200.698 6.5035  -11.41212      9.943318 
1 1 1 -18 -15 11 o 124.110 3.9913  1877.26    120.194  1664.94    181.324  2043.68    160.529  116.284 6.4517  129.306 5.1165  -13.02189      8.234266 
1 1 1 -18 -15 12 o 10.280  5.0097  -73.3078   40.407   -123.6704  60.118   -31.8076   54.573   12.036  5.9162  15.101  6.8556  -3.065305      9.055413 
1 1 1 -18 -15 13 o 183.904 4.8069  4129.44    214.495  3898.58    318.237  4321.63    290.360  177.926 7.3713  187.682 6.3760  -9.756104      9.746292 
1 1 1 -18 -15 14 o 228.072 6.0615  6374.31    335.441  6970.16    600.773  6104.41    404.338  236.157 10.484  222.608 7.4858  13.54881       12.88258 
1 1 1 -18 -15 15 o 267.458 6.0710  8765.73    393.988  8710.61    572.252  8815.41    543.246  265.108 8.8961  267.013 8.3849  -1.904877      12.22491 
1 1 1 -18 -15 16 o 235.611 8.2392  6859.03    471.027  6859.03    471.027  0.0000     0.0000   235.611 8.2392  ?       ?       0.000000       8.239204 
1 1 1 -18 -15 17 o 240.529 8.3937  7153.25    489.878  7153.25    489.878  0.0000     0.0000   240.529 8.3937  ?       ?       0.000000       8.393736 
1 1 1 -18 -15 18 o 245.723 6.6025  7412.31    393.654  6801.02    719.372  7673.60    470.322  231.293 12.869  249.453 7.7704  -18.15987      15.03308 
1 1 1 -18 -15 19 o 209.217 5.0788  5348.02    257.826  5204.67    368.349  5485.72    361.004  205.591 7.3840  211.209 7.0443  -5.617996      10.20514 
1 1 1 -18 -15 20 o 164.230 5.9995  3304.85    239.076  3659.58    328.661  2906.21    348.412  172.209 7.8655  152.623 9.4548  19.58636       12.29877 
1 1 1 -18 -15 21 f 23.630  7.5652  67.372     49.062   142.768    68.610   -11.5267   70.186   33.336  8.4662  18.813  8.1957  14.52346       11.78328 
1 1 1 -18 -15 22 o 131.530 5.4392  2116.62    173.591  2393.52    236.417  1792.70    255.707  139.313 7.0164  119.919 8.8506  19.39468       11.29438 
1 1 1 -18 -15 23 o 192.751 4.7209  4536.79    220.791  4811.60    317.012  4277.91    307.690  197.891 6.6021  186.523 6.7986  11.36809       9.476748 
1 1 1 -18 -15 24 o 106.154 3.7880  1373.01    97.569   1470.00    141.806  1285.82    134.455  109.608 5.3320  102.355 5.4333  7.252777       7.612540 
1 1 1 -18 -15 25 o 44.624  4.4719  245.474    47.768   376.932    72.537   144.808    63.475   55.217  5.4867  33.566  7.9213  21.65100       9.635870 
1 1 1 -18 -15 26 o 86.522  3.9704  912.853    83.353   992.084    122.124  843.755    114.048  89.797  5.6335  82.768  5.7139  7.029388       8.023997 
1 1 1 -18 -15 27 o 140.310 4.9841  2408.55    169.685  2620.02    210.945  2020.84    285.625  146.080 5.9513  126.883 9.3432  19.19664       11.07758 
1 1 1 -18 -15 28 o 14.426  7.1176  -193.2198  89.789   0.0000     0.0000   -193.2198  89.789   ?       ?       14.426  7.1176  0.000000       7.117623 
1 1 1 -18 -15 29 o 64.026  9.1904  522.737    138.681  0.0000     0.0000   522.737    138.681  ?       ?       64.026  9.1904  0.000000       9.190386 
1 1 1 -18 -15 30 o 89.578  7.8109  1005.00    168.072  0.0000     0.0000   1005.00    168.072  ?       ?       89.578  7.8109  0.000000       7.810860 
1 1 1 -18 -15 31 f 116.048 4.0217  1645.64    113.244  1768.06    163.604  1533.04    156.908  119.876 5.6247  111.425 5.8238  8.451492       8.096541 
1 1 1 -18 -15 32 o 90.246  3.7630  994.874    82.401   939.932    113.731  1055.58    119.552  87.245  5.3990  92.489  5.3501  -5.244690      7.600838 
1 1 1 -18 -15 33 o 60.495  4.0083  449.675    58.503   409.141    78.639   499.916    87.549   57.306  5.7324  63.393  5.7545  -6.086823      8.122466 
1 1 1 -18 -15 34 o 87.982  3.8217  947.024    81.585   953.739    112.907  939.687    118.021  87.796  5.3253  87.049  5.6177  0.7469406      7.740598 
1 1 1 -18 -15 35 o 103.014 3.8501  1299.45    96.234   1197.77    135.071  1404.28    137.143  98.211  5.6925  106.649 5.2998  -8.437973      7.777672 
1 1 1 -18 -15 36 o 38.343  4.9425  184.178    44.912   213.646    59.689   145.724    68.187   41.007  6.1917  33.231  8.4404  7.776848       10.46795 
1 1 1 -18 -15 37 o 68.494  3.9175  577.493    64.836   581.375    88.250   572.941    95.572   68.297  5.3686  67.617  5.8838  0.6797104      7.964994 
1 1 1 -18 -15 38 o 29.276  5.7592  110.214    39.453   77.164     50.574   161.595    63.059   24.617  7.6551  35.063  7.6289  -10.44588      10.80743 
1 1 1 -18 -15 39 o 44.257  4.4629  244.057    47.271   281.059    62.341   194.003    72.507   47.207  5.5484  38.286  8.0601  8.921299       9.785189 
1 1 1 -18 -15 40 o 52.211  4.3668  338.799    54.813   312.547    71.892   375.248    84.712   49.571  6.1062  54.187  6.5777  -4.616886      8.975105 
1 1 1 -18 -15 41 o 67.145  4.9816  563.197    80.582   631.546    101.406  446.085    132.740  70.692  5.9677  57.331  9.9000  13.36076       11.55958 
1 1 1 -18 -15 42 o 44.036  5.4878  245.959    57.364   263.713    70.187   210.239    99.556   45.206  6.5927  38.807  10.373  6.399162       12.29110 
1 1 1 -18 -15 43 o 15.098  5.9222  18.016     31.634   21.261     41.393   13.459     49.050   16.920  6.7305  17.235  7.1485  -0.3143997     9.818349 
1 1 1 -18 -15 44 o 21.019  6.6816  55.837     38.323   59.908     47.655   48.387     64.476   22.085  7.4745  22.157  8.5197  -0.7243538E-01 11.33373 
1 1 1 -18 -15 45 o 45.700  4.6758  262.245    51.118   257.784    66.409   268.731    80.079   44.708  6.2961  45.093  7.5884  -0.3843918     9.860233 
1 1 1 -18 -15 46 o 92.816  4.3667  1069.21    98.342   1020.15    123.555  1154.03    162.448  89.795  5.7004  94.446  7.1415  -4.651360      9.137570 
1 1 1 -18 -15 47 o 33.392  8.8176  153.929    72.500   105.776    152.102  168.086    82.471   31.385  12.755  34.657  9.5167  -3.271471      15.91445 
1 1 1 -18 -15 48 o 42.385  8.1284  243.497    80.554   152.024    165.362  271.958    92.238   34.134  13.492  44.439  8.8651  -10.30520      16.14367 
1 1 1 -18 -15 49 o 31.282  6.0376  128.657    44.167   93.760     56.217   184.931    71.388   26.343  8.0510  36.661  8.2274  -10.31760      11.51124 
1 1 1 -18 -15 50 o 22.982  6.6032  70.368     38.772   65.597     48.629   78.693     64.238   22.569  7.5509  24.738  8.6663  -2.169523      11.49439 
1 1 1 -18 -15 51 o 13.739  5.9500  -1.0141    36.556   15.769     44.060   -38.0887   65.485   16.493  6.8023  15.856  7.3139  0.6369333      9.988201 
1 1 1 -18 -15 52 o 37.423  5.3082  181.576    46.849   126.479    60.765   262.326    73.563   29.977  8.1430  44.096  7.1177  -14.11961      10.81526 
1 1 1 -18 -15 53 o 15.730  6.5894  11.367     42.273   -28.6389   49.340   121.804    81.977   13.857  6.3759  29.023  9.8034  -15.16678      11.69440 
1 1 1 -18 -15 54 o 28.360  6.7904  110.661    46.108   115.624    53.419   96.162     91.307   28.677  7.5670  26.786  10.177  1.891724       12.68169 
1 1 1 -18 -15 55 o 40.009  5.8306  211.866    54.939   187.688    66.161   265.566    98.600   36.525  7.7076  41.924  9.8586  -5.398525      12.51393 
1 1 1 -18 -15 56 o 29.782  7.4807  125.230    53.985   113.220    58.846   189.053    135.653  28.059  8.1561  33.626  12.482  -5.566704      14.91068 
1 1 1 -18 -15 57 o 25.186  7.3917  88.865     48.125   104.459    51.745   -11.0359   130.971  27.168  7.5684  23.016  10.515  4.151566       12.95549 
1 1 1 -18 -15 58 o 12.799  5.4430  3.6573     29.563   24.110     31.531   -145.0046  85.009   15.571  5.9649  14.306  7.0329  1.264847       9.221765 
1 1 1 -18 -15 59 o 11.771  5.4130  -21.6206   35.486   -36.7835   39.626   39.775     79.736   11.609  5.4643  21.802  9.0844  -10.19266      10.60120 
1 1 1 -18 -15 60 o 34.847  11.535  200.376    113.568  58.478     250.432  237.113    127.424  30.146  14.041  37.222  12.214  -7.076336      18.61011 
1 1 1 -18 -15 61 o 21.217  9.6732  -12.6571   110.143  36.548     256.133  -23.8202   121.998  29.354  13.840  21.671  9.9913  7.683855       17.06932 
1 1 1 -18 -15 62 o 24.882  10.653  64.055     114.619  314.302    267.458  7.7564     126.859  36.105  15.856  22.959  10.434  13.14612       18.98150 
1 1 1 -18 -14 1  o 71.513  4.3908  627.836    75.821   0.0000     0.0000   627.836    75.821   ?       ?       71.513  4.3908  0.000000       4.390838 
1 1 1 -18 -14 2  o 122.835 5.4752  1852.10    163.188  1792.29    250.082  1896.44    215.357  119.500 8.6842  123.572 7.2139  -4.071785      11.28961 
1 1 1 -18 -14 3  o 41.597  3.9491  212.978    39.381   118.162    66.770   263.555    48.766   30.398  8.6430  46.242  4.3993  -15.84384      9.698231 
1 1 1 -18 -14 4  o 40.697  3.9079  203.813    38.115   205.386    62.441   202.878    48.120   40.345  6.6074  40.419  5.0143  -0.7462692E-01 8.294577 
1 1 1 -18 -14 5  f 125.146 3.9901  1909.79    121.160  1526.92    185.784  2193.14    159.823  111.126 6.9246  133.931 4.9181  -22.80476      8.493347 
1 1 1 -18 -14 6  o 171.525 4.5375  3591.95    188.848  3303.69    283.009  3823.34    253.555  163.747 7.1230  176.575 5.9181  -12.82843      9.260713 
1 1 1 -18 -14 7  o 150.330 6.2065  2772.97    226.389  2571.42    351.258  2916.17    296.088  143.080 10.184  153.404 7.9822  -10.32393      12.93961 
1 1 1 -18 -14 8  o 100.930 5.5387  1250.35    135.122  1333.99    217.983  1198.15    172.196  103.382 8.7727  98.382  7.2648  4.999954       11.39022 
1 1 1 -18 -14 9  o 88.083  3.6551  944.782    78.120   970.354    120.793  926.397    102.422  88.868  5.6309  86.963  4.8735  1.905167       7.447061 
1 1 1 -18 -14 10 o 19.773  6.3450  46.790     34.497   5.9931     51.233   80.627     46.659   17.274  7.2461  25.296  7.2365  -8.022633      10.24074 
1 1 1 -18 -14 11 o 26.681  5.8542  90.513     36.859   139.616    55.158   50.896     49.545   33.088  7.0840  21.632  7.6091  11.45648       10.39618 
1 1 1 -18 -14 12 o 186.548 4.7715  4247.29    215.979  4222.99    321.065  4267.38    291.894  185.331 7.1397  186.530 6.4493  -1.198914      9.621276 
1 1 1 -18 -14 13 o 110.782 5.3340  1499.96    143.379  1311.72    280.662  1566.44    166.786  101.632 11.588  112.921 6.1100  -11.28856      13.10048 
1 1 1 -18 -14 14 o 68.876  4.2965  580.500    71.446   450.711    109.761  675.919    94.113   60.022  7.7153  74.194  5.2619  -14.17237      9.338799 
1 1 1 -18 -14 15 o 139.376 6.4357  2381.84    217.645  2381.84    217.645  0.0000     0.0000   139.376 6.4357  ?       ?       0.000000       6.435719 
1 1 1 -18 -14 16 o 34.209  7.2312  149.177    58.144   149.177    58.144   0.0000     0.0000   34.209  7.2312  ?       ?       0.000000       7.231186 
1 1 1 -18 -14 17 o 141.536 4.1382  2441.06    142.117  2269.64    202.205  2608.41    199.785  136.122 6.1221  146.033 5.6383  -9.911636      8.322892 
1 1 1 -18 -14 18 o 56.718  4.2697  394.308    58.329   320.968    78.340   485.543    87.377   50.757  6.5111  62.729  5.8065  -11.97205      8.724146 
1 1 1 -18 -14 19 o 88.073  3.6277  944.289    77.525   1052.02    113.468  849.969    106.168  92.676  5.0651  83.236  5.2842  9.440399       7.319713 
1 1 1 -18 -14 20 o 166.867 6.0672  3410.83    245.651  3675.43    337.139  3111.35    358.666  172.589 8.0507  158.058 9.3944  14.53188       12.37207 
1 1 1 -18 -14 21 o 17.635  7.0603  18.784     45.844   11.741     64.801   25.842     64.865   19.712  8.1995  20.858  8.3815  -1.146452      11.72522 
1 1 1 -18 -14 22 o 25.972  7.4902  84.923     49.804   44.308     71.059   124.139    69.824   23.146  8.9319  31.236  8.8236  -8.089563      12.55529 
1 1 1 -18 -14 23 o 88.998  3.7431  964.680    80.830   1001.52    117.799  931.904    111.115  90.335  5.3990  87.150  5.2796  3.184959       7.551349 
1 1 1 -18 -14 24 o 96.857  3.7114  1142.63    87.224   1222.05    127.207  1072.16    119.830  99.832  5.2701  93.485  5.3046  6.347038       7.477448 
1 1 1 -18 -14 25 o 146.467 4.1847  2616.10    148.719  2825.82    214.469  2421.87    206.403  151.859 5.8205  140.529 6.0532  11.32927       8.397586 
1 1 1 -18 -14 26 o 176.660 4.5913  3810.84    196.805  3949.59    283.441  3681.67    273.476  179.263 6.5164  173.077 6.5120  6.185577       9.212488 
1 1 1 -18 -14 27 o 129.384 8.2463  2083.29    257.534  0.0000     0.0000   2083.29    257.534  ?       ?       129.384 8.2463  0.000000       8.246279 
1 1 1 -18 -14 28 o 34.162  11.377  141.889    110.407  0.0000     0.0000   141.889    110.407  ?       ?       34.162  11.377  0.000000       11.37665 
1 1 1 -18 -14 29 o 44.936  10.519  264.426    112.665  0.0000     0.0000   264.426    112.665  ?       ?       44.936  10.519  0.000000       10.51885 
1 1 1 -18 -14 30 o 133.911 6.4061  2210.74    208.151  2147.58    337.780  2249.41    264.297  129.693 10.833  134.190 8.1559  -4.496353      13.55993 
1 1 1 -18 -14 31 o 107.365 3.9585  1407.85    103.123  1383.06    144.211  1433.78    147.521  105.912 5.6319  107.834 5.6579  -1.921883      7.983070 
1 1 1 -18 -14 32 o 38.004  5.0313  180.259    45.254   193.949    59.354   161.249    69.940   39.114  6.4809  35.217  8.3176  3.897011       10.54439 
1 1 1 -18 -14 33 o 20.745  6.5823  52.620     37.206   76.654     46.758   11.138     61.428   24.609  7.3030  19.052  7.9591  5.556768       10.80189 
1 1 1 -18 -14 34 o 88.435  3.8293  956.565    82.170   908.220    114.025  1008.79    118.516  85.631  5.5172  90.292  5.4349  -4.661201      7.744554 
1 1 1 -18 -14 35 o 114.225 3.9439  1597.92    109.308  1596.87    153.577  1599.00    155.613  113.659 5.5688  113.707 5.6402  -0.4869080E-01 7.926121 
1 1 1 -18 -14 36 o 127.633 4.6926  2005.35    145.326  1989.12    176.405  2039.63    256.375  126.662 5.7398  126.480 8.4017  0.1822205      10.17517 
1 1 1 -18 -14 37 o 68.974  3.8954  585.332    64.926   543.027    90.850   629.492    92.820   65.886  5.7402  71.083  5.4225  -5.196648      7.896448 
1 1 1 -18 -14 38 o 13.356  5.6660  1.8811     31.898   5.7342     43.223   -2.7275    47.270   15.764  6.6364  15.704  6.7837  0.5993557E-01  9.490005 
1 1 1 -18 -14 39 o 63.388  3.8479  495.362    58.903   475.526    82.524   515.964    84.103   61.561  5.5855  64.193  5.4511  -2.632042      7.804624 
1 1 1 -18 -14 40 o 69.037  4.4841  591.170    74.706   551.455    89.295   683.815    136.382  66.259  5.6068  72.704  7.8558  -6.445511      9.651417 
1 1 1 -18 -14 41 o 91.804  5.0374  1050.59    111.782  993.033    142.062  1144.16    181.128  88.361  6.6753  93.942  8.0232  -5.580696      10.43705 
1 1 1 -18 -14 42 o 33.599  6.3473  146.737    49.850   124.633    59.907   196.499    89.886   30.512  7.9954  37.757  9.7453  -7.244953      12.60544 
1 1 1 -18 -14 43 o 16.315  6.1080  26.160     32.619   17.211     42.705   38.694     50.539   16.689  6.7674  19.897  7.5685  -3.208401      10.15276 
1 1 1 -18 -14 44 o 23.069  6.9658  68.962     42.268   48.098     54.279   101.109    67.374   21.233  7.8930  27.716  8.8644  -6.482935      11.86918 
1 1 1 -18 -14 45 o 21.262  6.8554  56.948     40.234   37.398     49.947   93.080     67.901   19.657  7.5127  26.820  8.9214  -7.163076      11.66327 
1 1 1 -18 -14 46 o 73.731  4.4036  677.001    78.421   680.676    98.211   670.534    130.268  73.378  5.5574  71.590  7.6163  1.787834       9.428291 
1 1 1 -18 -14 47 o 34.275  8.6275  161.460    71.699   226.357    141.703  139.128    83.124   38.931  12.885  31.694  9.8072  7.237127       16.19269 
1 1 1 -18 -14 48 o 17.977  7.6814  6.9353     59.380   13.403     123.845  5.0047     67.664   24.811  10.846  18.882  8.1364  5.928032       13.55829 
1 1 1 -18 -14 49 o 13.223  5.7917  -5.2090    35.473   13.370     42.487   -47.9580   64.449   16.131  6.6688  15.327  7.1336  0.8046598      9.765297 
1 1 1 -18 -14 50 o 55.613  4.3967  388.776    58.845   401.800    77.817   371.381    89.931   55.824  5.8311  52.855  7.1996  2.969109       9.264786 
1 1 1 -18 -14 51 o 25.360  6.8914  87.159     43.512   75.969     53.103   110.025    75.908   23.937  7.8861  28.153  9.4340  -4.215975      12.29592 
1 1 1 -18 -14 52 o 54.745  4.6460  380.223    61.131   469.466    78.590   243.503    97.273   60.410  5.4192  40.604  9.9508  19.80575       11.33072 
1 1 1 -18 -14 53 o 20.528  7.1859  52.818     44.162   42.197     51.018   84.561     88.200   19.817  7.5883  25.932  9.9661  -6.114845      12.52621 
1 1 1 -18 -14 54 f 20.624  7.3925  52.745     46.975   -2.0513    54.390   213.633    93.197   16.308  7.1566  37.508  10.041  -21.19970      12.33048 
1 1 1 -18 -14 55 o 33.781  6.5918  155.321    52.091   124.900    62.575   223.988    94.013   29.413  8.3686  38.316  10.004  -8.903797      13.04285 
1 1 1 -18 -14 56 o 20.776  7.3511  54.898     46.308   60.721     49.479   13.779     131.483  21.635  7.6043  24.091  10.816  -2.456644      13.22130 
1 1 1 -18 -14 57 o 41.196  6.4480  228.506    62.339   233.934    68.923   204.095    146.152  41.247  7.1455  34.556  12.931  6.690800       14.77373 
1 1 1 -18 -14 58 o 26.248  7.3026  96.409     48.208   73.089     56.605   157.987    91.981   23.359  8.1379  32.011  10.370  -8.651440      13.18190 
1 1 1 -18 -14 59 o 23.173  7.1104  73.719     43.799   64.777     49.785   104.346    92.134   22.139  7.6364  27.313  10.258  -5.173798      12.78803 
1 1 1 -18 -14 60 o 34.665  11.948  201.168    121.872  307.458    271.102  174.247    136.435  37.580  16.240  32.537  12.421  5.043365       20.44526 
1 1 1 -18 -14 61 o 36.780  11.568  228.005    115.120  89.389     257.440  262.652    128.705  30.614  14.252  38.809  12.235  -8.194342      18.78321 
1 1 1 -18 -13 1  o 219.358 10.236  6068.02    544.820  0.0000     0.0000   6068.02    544.820  ?       ?       219.358 10.236  0.000000       10.23612 
1 1 1 -18 -13 2  o 146.365 5.9401  2630.95    210.957  2160.75    315.797  3009.87    283.488  130.843 10.023  155.993 7.4897  -25.15076      12.51247 
1 1 1 -18 -13 3  o 56.131  3.6216  385.449    49.061   365.168    80.179   397.587    62.029   54.183  6.2108  56.879  4.5321  -2.696484      7.688530 
1 1 1 -18 -13 4  o 104.266 3.7226  1324.55    94.179   1189.37    146.583  1419.58    122.902  98.248  6.1803  107.805 4.6985  -9.556755      7.763514 
1 1 1 -18 -13 5  o 133.391 4.0215  2168.94    130.161  1990.91    198.885  2302.32    172.148  127.164 6.4671  137.219 5.1704  -10.05476      8.279860 
1 1 1 -18 -13 6  o 103.156 3.7454  1296.10    93.746   1071.05    144.155  1461.03    123.405  93.205  6.4132  109.405 4.6487  -16.20047      7.920836 
1 1 1 -18 -13 7  o 39.969  6.8791  201.678    64.309   282.047    101.255  147.341    83.256   46.904  9.2257  33.971  9.6486  12.93354       13.34950 
1 1 1 -18 -13 8  o 69.360  5.7898  592.844    96.549   557.218    158.879  613.703    121.571  66.148  10.229  70.280  7.2324  -4.132416      12.52757 
1 1 1 -18 -13 9  o 101.989 3.7173  1266.48    91.990   1449.43    140.686  1129.84    121.583  108.902 5.3241  96.021  5.2382  12.88096       7.468977 
1 1 1 -18 -13 10 o 149.105 4.2891  2709.91    155.174  2257.65    232.042  3075.78    208.708  135.370 7.0891  158.630 5.4224  -23.26003      8.925115 
1 1 1 -18 -13 11 o 96.351  3.8027  1130.38    88.902   936.246    135.579  1276.81    117.750  87.159  6.4568  102.299 4.7438  -15.13934      8.012077 
1 1 1 -18 -13 12 o 38.996  5.6562  189.740    51.958   53.352     79.542   291.248    68.621   24.795  9.4798  48.427  5.9661  -23.63157      11.20090 
1 1 1 -18 -13 13 o 180.651 4.7120  3980.99    206.544  3911.53    305.916  4039.18    279.997  178.462 7.0647  181.561 6.3557  -3.099289      9.502891 
1 1 1 -18 -13 14 o 38.776  6.8335  189.784    61.945   189.784    61.945   0.0000     0.0000   38.776  6.8335  ?       ?       0.000000       6.833483 
1 1 1 -18 -13 15 o 123.026 5.7333  1851.04    171.147  1851.04    171.147  0.0000     0.0000   123.026 5.7333  ?       ?       0.000000       5.733330 
1 1 1 -18 -13 16 o 133.420 4.0505  2168.29    131.126  2135.06    186.955  2200.45    183.962  132.110 5.8323  134.152 5.6516  -2.041519      8.121297 
1 1 1 -18 -13 17 o 39.313  5.3270  192.185    49.506   202.048    65.656   179.187    75.369   40.002  7.0205  37.378  8.5020  2.623432       11.02593 
1 1 1 -18 -13 18 o 164.000 4.3390  3278.22    172.665  3315.98    248.523  3242.99    240.066  164.540 6.2249  162.755 6.0790  1.785095       8.700787 
1 1 1 -18 -13 19 o 32.076  5.4489  129.168    40.891   77.214     63.584   165.808    53.397   25.746  8.6342  36.284  6.2932  -10.53783      10.68431 
1 1 1 -18 -13 20 o 102.866 5.1270  1292.23    127.967  1416.78    173.181  1142.45    189.920  107.261 6.6875  95.888  8.2430  11.37349       10.61459 
1 1 1 -18 -13 21 o 153.456 5.8695  2882.11    218.550  3150.19    297.633  2568.44    321.951  159.942 7.6693  143.647 9.2866  16.29453       12.04407 
1 1 1 -18 -13 22 o 11.240  5.6169  -171.7961  63.379   -171.7961  63.379   0.0000     0.0000   11.240  5.6169  ?       ?       0.000000       5.616946 
1 1 1 -18 -13 23 o 65.027  3.9685  517.056    62.316   527.534    93.556   508.700    83.548   65.369  5.9641  64.282  5.4068  1.087074       8.050061 
1 1 1 -18 -13 24 o 38.346  5.0424  182.655    45.778   183.793    70.136   181.810    60.424   37.924  7.8793  37.914  6.8189  0.1040649E-01  10.42020 
1 1 1 -18 -13 25 o 109.592 3.9559  1463.57    105.192  1581.97    153.981  1359.96    144.044  113.691 5.5818  105.251 5.6612  8.440048       7.950207 
1 1 1 -18 -13 26 o 124.918 8.2221  1938.67    247.821  0.0000     0.0000   1938.67    247.821  ?       ?       124.918 8.2221  0.000000       8.222109 
1 1 1 -18 -13 27 f 113.793 5.6118  1586.23    154.946  0.0000     0.0000   1586.23    154.946  ?       ?       113.793 5.6118  0.000000       5.611796 
1 1 1 -18 -13 28 o 63.553  9.1718  512.877    137.341  0.0000     0.0000   512.877    137.341  ?       ?       63.553  9.1718  0.000000       9.171775 
1 1 1 -18 -13 29 o 170.767 6.8180  3595.34    282.504  3752.00    444.253  3488.99    366.050  172.164 10.687  166.975 9.0690  5.189133       14.01671 
1 1 1 -18 -13 30 o 161.951 6.5142  3233.07    255.980  3342.04    394.173  3153.60    336.621  162.629 10.038  158.710 8.7753  3.918549       13.33307 
1 1 1 -18 -13 31 o 107.400 3.8597  1408.00    100.584  1388.12    142.934  1427.50    141.569  106.150 5.5689  107.687 5.4356  -1.537178      7.781924 
1 1 1 -18 -13 32 o 106.190 3.7733  1376.81    97.222   1388.49    137.728  1365.22    137.258  106.165 5.3640  105.261 5.3922  0.9041443      7.605793 
1 1 1 -18 -13 33 o 109.554 3.8418  1466.69    102.125  1407.81    144.896  1524.81    143.961  106.756 5.6134  111.333 5.3291  -4.577377      7.740179 
1 1 1 -18 -13 34 f 73.289  3.7753  658.367    66.907   563.452    93.851   756.459    95.409   67.302  5.8038  78.268  5.0508  -10.96598      7.693811 
1 1 1 -18 -13 35 o 70.560  3.8410  611.071    65.512   617.536    92.375   604.528    92.924   70.529  5.4399  69.750  5.5361  0.7789078      7.761523 
1 1 1 -18 -13 36 o 70.336  4.5009  610.493    76.411   622.308    91.973   584.168    137.289  70.757  5.3978  67.323  8.6010  3.434258       10.15450 
1 1 1 -18 -13 37 o 52.324  4.1360  338.222    52.082   328.188    71.192   349.775    76.393   51.083  5.8491  52.680  6.0886  -1.596985      8.442955 
1 1 1 -18 -13 38 o 47.367  4.2167  278.030    47.956   258.373    66.333   299.555    69.412   45.089  6.2294  48.679  6.0039  -3.589619      8.651711 
1 1 1 -18 -13 39 o 35.353  4.9431  157.527    41.242   152.525    55.864   163.519    61.144   34.203  6.9680  35.321  7.3725  -1.118046      10.14427 
1 1 1 -18 -13 40 o 80.340  5.0680  804.118    98.289   863.501    125.060  708.173    158.963  82.696  6.2795  73.259  9.1418  9.437523       11.09072 
1 1 1 -18 -13 41 o 110.451 5.2328  1518.88    140.238  1482.89    181.016  1572.91    221.792  107.893 6.9515  109.970 8.3750  -2.077339      10.88407 
1 1 1 -18 -13 42 o 20.059  6.9542  47.186     41.312   60.919     48.430   10.501     79.157   22.321  7.5352  20.838  8.8853  1.483196       11.65021 
1 1 1 -18 -13 43 o 84.743  3.8273  884.662    78.698   891.229    110.586  877.923    112.020  84.251  5.4386  83.556  5.5570  0.6952286      7.775509 
1 1 1 -18 -13 44 o 48.306  4.7758  292.688    55.244   397.437    79.373   194.266    76.939   55.897  5.9433  37.878  8.5714  18.01942       10.43032 
1 1 1 -18 -13 45 o 23.475  7.2160  71.420     45.087   89.841     63.016   52.099     64.537   26.315  8.5869  22.501  8.5541  3.813839       12.12055 
1 1 1 -18 -13 46 o 59.359  5.5447  446.382    78.935   578.408    179.930  414.918    87.839   63.099  12.193  56.771  6.4935  6.327991       13.81464 
1 1 1 -18 -13 47 o 66.112  6.6410  564.102    105.091  336.499    188.613  666.574    126.556  45.746  14.852  71.405  7.4125  -25.65881      16.59926 
1 1 1 -18 -13 48 o 57.601  7.8334  441.370    106.644  574.891    206.467  392.786    124.544  60.182  14.342  52.827  10.084  7.354969       17.53266 
1 1 1 -18 -13 49 o 22.660  7.5532  65.671     48.662   69.903     60.800   58.130     81.168   23.759  8.4214  24.025  9.4664  -0.2664642     12.67013 
1 1 1 -18 -13 50 o 78.308  4.3264  767.872    81.886   727.775    111.146  815.474    121.103  75.048  6.1580  79.316  6.3457  -4.268684      8.842398 
1 1 1 -18 -13 51 o 71.659  4.3841  645.345    75.862   567.696    101.229  744.823    114.578  65.911  6.4109  75.651  6.2992  -9.740356      8.987725 
1 1 1 -18 -13 52 o 56.779  4.8049  410.000    65.576   319.788    84.293   548.298    104.368  48.611  7.3782  64.324  6.7896  -15.71233      10.02675 
1 1 1 -18 -13 53 o 58.158  4.9329  432.345    68.955   347.443    86.899   576.692    113.308  50.614  7.2859  65.398  7.2633  -14.78382      10.28784 
1 1 1 -18 -13 54 o 12.286  5.6043  -19.0265   37.026   -9.2997    40.800   -64.4267   88.147   13.698  6.0958  17.328  8.1543  -3.630578      10.18090 
1 1 1 -18 -13 55 o 18.408  7.0743  35.595     44.439   55.301     46.672   -155.6836  145.410  20.877  7.3807  19.916  9.6594  0.9609451      12.15648 
1 1 1 -18 -13 56 o 22.816  7.4586  70.631     47.536   82.288     50.803   -11.3575   134.730  24.351  7.6879  23.354  10.667  0.9975376      13.14903 
1 1 1 -18 -13 57 o 41.180  6.0597  225.553    58.738   156.054    71.506   369.740    102.995  32.606  8.8235  50.842  8.6593  -18.23574      12.36275 
1 1 1 -18 -13 58 o 25.922  7.2875  93.755     47.748   70.255     55.890   157.248    91.868   23.041  8.0829  32.002  10.363  -8.960997      13.14276 
1 1 1 -18 -13 59 o 20.810  9.5416  -26.8313   109.178  11.500     249.406  -35.9179   121.432  29.346  13.780  21.465  9.9215  7.881037       16.97999 
1 1 1 -18 -13 60 o 38.023  11.345  236.540    112.617  233.739    314.243  236.953    120.629  35.365  16.205  37.596  11.844  -2.231800      20.07205 
1 1 1 -18 -13 61 o 25.598  10.506  79.245     104.449  -6.2441    373.783  86.486     108.782  30.975  15.126  26.223  10.737  4.752298       18.54937 
1 1 1 -18 -12 1  o 87.685  4.2954  938.574    91.389   844.206    121.795  1060.17    138.251  82.682  6.1143  92.688  6.1827  -10.00629      8.695451 
1 1 1 -18 -12 2  o 48.550  4.8455  290.877    56.319   211.883    87.271   347.251    73.725   40.500  9.1023  52.906  5.8405  -12.40570      10.81497 
1 1 1 -18 -12 3  o 36.324  3.9808  162.732    34.512   213.392    55.503   130.800    44.066   41.367  5.6796  32.185  5.8586  9.181881       8.159753 
1 1 1 -18 -12 4  o 57.269  3.6885  401.067    50.982   347.327    82.896   433.760    64.655   52.782  6.6183  59.454  4.5157  -6.671951      8.012017 
1 1 1 -18 -12 5  o 48.347  3.8206  286.457    44.454   214.421    70.603   333.773    57.221   41.146  7.3410  52.107  4.5720  -10.96037      8.648314 
1 1 1 -18 -12 6  o ?       ?       -78.2742   16.817   -115.9046  22.707   -32.5607   25.027   ?       ?       8.8705  4.2242  0.000000       4.224170 
1 1 1 -18 -12 7  o 106.955 5.5547  1402.49    143.657  1300.45    229.086  1468.62    184.424  101.993 9.3613  109.124 7.0022  -7.130180      11.69034 
1 1 1 -18 -12 8  o 128.456 5.8876  2019.29    183.508  1728.38    286.182  2222.43    239.146  117.451 10.142  134.241 7.3702  -16.79029      12.53674 
1 1 1 -18 -12 9  o 63.062  3.9229  486.146    59.728   356.289    91.383   582.992    78.918   53.380  7.2423  68.970  4.7446  -15.58921      8.658127 
1 1 1 -18 -12 10 o 53.694  4.1217  353.259    53.290   448.552    81.382   281.727    70.509   60.318  5.6254  47.566  6.2614  12.75253       8.417306 
1 1 1 -18 -12 11 o 31.270  7.1452  124.793    53.028   61.913     113.897  142.195    59.919   28.560  11.226  33.358  7.5755  -4.797770      13.54318 
1 1 1 -18 -12 12 o 168.316 4.3847  3452.74    179.073  3248.09    256.918  3646.10    249.731  162.808 6.5036  172.632 5.9619  -9.823990      8.822796 
1 1 1 -18 -12 13 o 50.429  6.0205  315.465    72.211   315.465    72.211   0.0000     0.0000   50.429  6.0205  ?       ?       0.000000       6.020511 
1 1 1 -18 -12 14 o 100.989 5.3998  1249.30    131.839  1249.30    131.839  0.0000     0.0000   100.989 5.3998  ?       ?       0.000000       5.399839 
1 1 1 -18 -12 15 f 246.327 8.2253  7478.43    491.618  7478.43    491.618  0.0000     0.0000   246.327 8.2253  ?       ?       0.000000       8.225290 
1 1 1 -18 -12 16 o 107.836 3.9178  1415.89    102.511  1428.76    143.057  1402.30    146.966  108.004 5.4768  106.958 5.6833  1.046471       7.892785 
1 1 1 -18 -12 17 o 49.073  4.0847  295.314    48.194   389.164    72.684   221.676    64.383   56.191  5.3974  42.055  6.5205  14.13528       8.464591 
1 1 1 -18 -12 18 o 155.250 4.2527  2936.72    160.199  3041.21    230.426  2838.96    222.874  157.649 6.0239  152.316 6.0305  5.333893       8.523707 
1 1 1 -18 -12 19 o 42.234  4.6357  220.087    46.724   256.484    71.841   193.404    61.511   45.254  6.7490  39.182  6.7113  6.071327       9.517884 
1 1 1 -18 -12 20 o 55.434  5.4219  378.970    71.994   307.537    99.387   457.833    104.428  49.221  8.6369  60.633  7.2415  -11.41203      11.27095 
1 1 1 -18 -12 21 o 68.907  5.8541  584.979    96.952   743.634    139.272  435.804    135.047  77.408  7.5096  58.493  9.8662  18.91451       12.39903 
1 1 1 -18 -12 22 o 120.505 5.5633  1775.42    162.669  2014.39    223.175  1504.56    237.599  127.826 7.2251  109.910 8.9879  17.91573       11.53191 
1 1 1 -18 -12 23 o 109.824 4.0139  1469.34    106.962  1666.42    157.979  1302.54    145.343  116.734 5.5775  103.005 5.8393  13.72894       8.075000 
1 1 1 -18 -12 24 o 10.296  4.9377  -50.9617   35.502   -78.6407   65.971   -39.6777   42.122   14.640  6.9387  12.321  5.7454  2.319674       9.008595 
1 1 1 -18 -12 25 o 55.063  8.8637  384.528    114.405  0.0000     0.0000   384.528    114.405  ?       ?       55.063  8.8637  0.000000       8.863737 
1 1 1 -18 -12 26 o 55.601  5.8173  382.672    77.321   0.0000     0.0000   382.672    77.321   ?       ?       55.601  5.8173  0.000000       5.817350 
1 1 1 -18 -12 27 o 36.637  7.3863  171.211    63.395   0.0000     0.0000   171.211    63.395   ?       ?       36.637  7.3863  0.000000       7.386297 
1 1 1 -18 -12 28 o 47.889  7.9450  290.850    89.084   340.582    210.698  280.025    98.303   50.748  15.599  46.712  8.9995  4.036171       18.00902 
1 1 1 -18 -12 29 o 90.345  5.7942  1005.43    126.348  921.338    208.483  1054.25    158.841  85.081  10.309  92.162  7.1593  -7.081322      12.55144 
1 1 1 -18 -12 30 o 98.147  5.6170  1185.85    133.211  1534.88    221.664  988.536    166.664  110.803 8.3052  88.966  7.7994  21.83755       11.39327 
1 1 1 -18 -12 31 o 92.693  3.8202  1048.47    85.921   1050.20    121.852  1046.77    121.172  92.335  5.4631  92.189  5.4411  0.1462631      7.710463 
1 1 1 -18 -12 32 o 125.964 3.9630  1938.24    121.125  1842.83    172.633  2030.75    169.992  122.344 5.8154  128.545 5.4502  -6.200714      7.970121 
1 1 1 -18 -12 33 o 82.715  3.7826  835.758    75.916   856.889    106.834  814.204    107.897  83.316  5.3124  81.152  5.5123  2.164146       7.655472 
1 1 1 -18 -12 34 o 109.971 3.8879  1478.94    103.742  1453.88    147.199  1503.68    146.233  108.431 5.6141  110.462 5.4559  -2.031197      7.828473 
1 1 1 -18 -12 35 o 63.492  3.8436  495.044    58.934   518.137    82.530   471.014    84.186   64.615  5.3110  61.478  5.7087  3.136566       7.797179 
1 1 1 -18 -12 36 o 18.801  6.3435  41.344     34.323   3.0168     45.640   91.240     52.075   15.970  6.7764  26.598  7.6556  -10.62789      10.22390 
1 1 1 -18 -12 37 o 74.184  3.8174  676.224    68.481   598.506    95.798   757.440    97.930   69.213  5.7566  78.113  5.1965  -8.900337      7.755140 
1 1 1 -18 -12 38 f 104.930 3.8630  1351.05    98.352   1328.20    139.821  1373.42    138.372  103.257 5.6017  105.080 5.4458  -1.822769      7.812488 
1 1 1 -18 -12 39 o 32.635  5.2322  135.207    40.032   138.736    53.910   130.870    59.769   32.579  7.0264  31.453  7.8550  1.125809       10.53906 
1 1 1 -18 -12 40 o 106.120 5.2543  1399.91    135.293  1465.61    173.852  1299.03    215.432  107.599 6.6921  99.613  9.0107  7.986557       11.22394 
1 1 1 -18 -12 41 o 61.736  5.2304  477.500    77.613   503.266    96.597   430.566    130.369  62.900  6.4191  56.401  9.8868  6.499584       11.78784 
1 1 1 -18 -12 42 o 48.143  5.4883  293.022    62.966   325.926    76.668   224.837    110.365  50.455  6.4070  39.975  11.022  10.47919       12.74903 
1 1 1 -18 -12 43 f 51.157  4.7138  327.380    57.854   353.986    83.098   302.353    80.595   52.452  6.6810  48.243  7.0971  4.208145       9.747043 
1 1 1 -18 -12 44 o 65.953  4.2752  540.173    68.047   491.861    97.234   586.546    95.262   61.957  6.5681  68.083  5.8226  -6.125961      8.777391 
1 1 1 -18 -12 45 o 99.938  4.1507  1235.02    100.650  1142.36    142.307  1327.77    142.374  94.832  6.2190  102.599 5.7421  -7.767654      8.464485 
1 1 1 -18 -12 46 o 73.450  7.3477  701.471    129.194  542.596    258.962  754.117    149.070  56.099  17.302  75.526  8.2697  -19.42672      19.17669 
1 1 1 -18 -12 47 o 53.976  9.1304  397.447    115.315  259.101    238.392  439.705    131.755  41.178  16.224  56.222  10.026  -15.04438      19.07162 
1 1 1 -18 -12 48 o 55.413  5.6330  391.762    74.685   324.903    92.674   515.633    126.143  49.189  8.0427  61.756  8.6561  -12.56664      11.81579 
1 1 1 -18 -12 49 o 47.455  5.4008  287.892    61.079   275.682    84.098   301.523    88.856   45.138  7.9699  47.205  8.0462  -2.066967      11.32521 
1 1 1 -18 -12 50 o 40.790  6.0671  217.239    58.220   203.782    79.915   232.459    84.991   38.093  8.8199  40.730  8.8526  -2.636940      12.49636 
1 1 1 -18 -12 51 o 27.612  7.7207  105.116    53.744   26.437     71.352   208.291    81.708   20.560  8.5826  38.288  8.9548  -17.72733      12.40358 
1 1 1 -18 -12 52 o 31.336  7.2959  135.033    54.438   171.194    69.648   78.256     87.272   34.822  8.3509  25.560  9.8887  9.261801       12.94314 
1 1 1 -18 -12 53 o 62.104  4.9010  492.337    73.253   423.391    93.803   600.105    117.275  56.123  7.0434  66.617  7.3792  -10.49459      10.20113 
1 1 1 -18 -12 54 o 21.910  7.3964  63.215     46.663   26.601     53.595   177.924    94.863   18.505  7.5519  34.004  10.469  -15.49901      12.90887 
1 1 1 -18 -12 55 o 40.444  6.6376  220.958    62.877   226.655    69.110   193.576    151.511  40.566  7.2891  34.086  13.071  6.480961       14.96606 
1 1 1 -18 -12 56 o 21.945  7.5901  63.111     49.199   54.736     52.577   122.082    139.516  21.156  7.7863  29.775  12.172  -8.619047      14.44914 
1 1 1 -18 -12 57 o 22.516  7.2666  68.539     45.197   78.051     51.623   37.311     93.536   23.853  7.7715  22.761  9.6809  1.092051       12.41429 
1 1 1 -18 -12 58 o 32.995  6.7096  148.637    51.887   111.874    62.110   233.567    94.403   27.926  8.4466  39.303  9.9032  -11.37788      13.01611 
1 1 1 -18 -12 59 o 30.657  10.947  143.739    102.915  210.077    368.368  138.123    107.183  35.661  16.746  30.223  11.118  5.438025       20.10058 
1 1 1 -18 -12 60 o 22.326  9.7297  25.367     98.998   -374.5515  365.224  57.080     102.848  27.004  13.493  24.379  10.249  2.625145       16.94390 
1 1 1 -18 -12 61 o 48.937  10.537  376.506    121.414  721.886    368.222  334.374    128.607  46.377  19.439  44.641  11.723  1.736443       22.70014 
1 1 1 -18 -11 1  o 24.165  5.6076  74.359     32.245   85.268     50.356   66.778     41.980   26.011  7.5403  23.161  6.9305  2.850574       10.24152 
1 1 1 -18 -11 2  o 80.175  4.8039  787.800    93.022   694.258    141.610  858.800    123.374  74.571  7.9489  83.465  6.1349  -8.893806      10.04101 
1 1 1 -18 -11 3  o 52.463  3.6594  336.761    46.291   272.993    73.244   379.173    59.733   46.702  6.6515  55.576  4.4673  -8.874271      8.012464 
1 1 1 -18 -11 4  o 85.245  3.6322  884.670    75.128   722.720    118.299  994.136    97.258   76.504  6.4325  90.288  4.4395  -13.78395      7.815814 
1 1 1 -18 -11 5  o 125.557 6.7968  1940.59    206.296  1482.03    371.265  2145.42    248.127  106.778 14.721  131.741 7.7970  -24.96283      16.65843 
1 1 1 -18 -11 6  o 174.743 6.5801  3744.42    278.996  3693.59    427.089  3782.25    368.486  171.956 10.283  174.936 8.6812  -2.979767      13.45766 
1 1 1 -18 -11 7  o 53.910  6.0974  360.190    78.357   241.962    134.397  421.072    96.445   43.274  12.248  58.170  6.9720  -14.89607      14.09315 
1 1 1 -18 -11 8  o 15.924  6.8427  -3.2533    47.606   -14.5036   75.133   4.2932     61.535   19.350  8.4533  18.702  7.8982  0.6479301      11.56890 
1 1 1 -18 -11 9  o 57.648  4.5739  407.673    63.454   277.843    129.824  448.424    72.734   46.247  11.592  60.415  5.0068  -14.16753      12.62681 
1 1 1 -18 -11 10 o 30.782  4.8830  118.395    35.254   97.694     44.589   152.912    57.577   27.686  6.7079  34.686  7.0806  -7.000015      9.753569 
1 1 1 -18 -11 11 f 95.815  3.6518  1117.20    84.899   1092.16    119.739  1142.51    120.393  94.439  5.2461  96.613  5.1543  -2.174278      7.354493 
1 1 1 -18 -11 12 o 75.716  5.4209  703.701    98.932   703.701    98.932   0.0000     0.0000   75.716  5.4209  ?       ?       0.000000       5.420864 
1 1 1 -18 -11 13 o 144.478 6.0138  2553.26    210.822  2553.26    210.822  0.0000     0.0000   144.478 6.0138  ?       ?       0.000000       6.013839 
1 1 1 -18 -11 14 o 124.797 5.7045  1903.44    172.738  1903.44    172.738  0.0000     0.0000   124.797 5.7045  ?       ?       0.000000       5.704517 
1 1 1 -18 -11 15 o 129.071 4.0374  2028.58    126.443  1873.66    178.012  2186.34    179.635  123.781 5.9270  133.779 5.5340  -9.997955      8.108889 
1 1 1 -18 -11 16 o 137.042 4.0544  2286.98    134.818  2413.71    194.949  2170.81    186.645  140.529 5.7173  133.261 5.7723  7.268127       8.124451 
1 1 1 -18 -11 17 o 70.536  3.9086  607.555    66.634   757.116    102.582  498.390    87.640   78.552  5.4152  63.602  5.7409  14.95011       7.891857 
1 1 1 -18 -11 18 o 94.383  3.8523  1084.43    88.222   1162.00    131.945  1021.71    118.642  97.357  5.6093  91.310  5.3787  6.046677       7.771361 
1 1 1 -18 -11 19 o 30.121  6.0750  114.937    42.868   174.548    73.807   84.590     52.662   36.912  8.4263  26.054  7.7546  10.85768       11.45146 
1 1 1 -18 -11 20 o 62.863  5.7296  487.027    86.434   500.012    123.761  474.664    120.767  63.182  8.2716  61.526  8.3015  1.655514       11.71893 
1 1 1 -18 -11 21 o 19.363  7.8524  19.393     57.500   22.458     95.224   17.633     72.136   24.159  9.9854  21.135  8.7088  3.024372       13.24962 
1 1 1 -18 -11 22 o 40.001  8.4104  204.609    79.040   459.094    117.577  -5.2165    106.763  60.494  8.2233  23.784  10.235  36.71016       13.12892 
1 1 1 -18 -11 23 o 169.919 4.5624  3520.94    188.103  3815.62    271.008  3247.00    261.294  176.467 6.3293  162.712 6.6183  13.75423       9.157581 
1 1 1 -18 -11 24 o 128.102 4.7117  2002.18    146.454  2896.57    250.377  1537.02    180.566  153.632 6.7166  111.725 6.6915  41.90722       9.480961 
1 1 1 -18 -11 25 o 90.309  8.1152  1014.33    175.926  0.0000     0.0000   1014.33    175.926  ?       ?       90.309  8.1152  0.000000       8.115192 
1 1 1 -18 -11 26 o 54.270  5.9601  365.013    77.190   0.0000     0.0000   365.013    77.190   ?       ?       54.270  5.9601  0.000000       5.960056 
1 1 1 -18 -11 27 o 79.100  4.9147  767.277    93.862   821.271    240.941  757.617    101.913  79.499  12.935  78.515  5.3820  0.9837189      14.01040 
1 1 1 -18 -11 28 o 11.128  5.4344  -89.9915   48.261   -129.5395  95.594   -76.4634   55.910   17.016  8.1447  13.043  6.2392  3.973298       10.25978 
1 1 1 -18 -11 29 o 105.352 5.8784  1365.91    149.668  1115.88    242.509  1519.74    190.215  93.547  10.888  110.789 7.1136  -17.24189      13.00558 
1 1 1 -18 -11 30 o 123.927 6.0553  1887.53    182.081  1489.15    288.275  2151.95    234.860  107.922 11.170  131.719 7.3782  -23.79694      13.38710 
1 1 1 -18 -11 31 o 25.517  6.2429  83.342     38.335   59.481     52.530   110.530    56.072   22.826  7.8458  29.319  7.7605  -6.492783      11.03548 
1 1 1 -18 -11 32 o 174.825 4.5741  3741.31    194.030  3510.59    276.446  3965.32    272.398  168.462 6.7631  179.287 6.2617  -10.82509      9.216736 
1 1 1 -18 -11 33 o 67.879  3.8260  564.612    62.758   509.647    88.506   620.197    89.004   64.068  5.7547  70.861  5.2131  -6.792206      7.764876 
1 1 1 -18 -11 34 o 38.825  4.7260  187.641    43.604   189.172    58.823   185.772    64.963   38.566  6.5183  38.010  7.3092  0.5565872      9.793532 
1 1 1 -18 -11 35 o 46.913  4.3502  272.147    48.955   241.333    67.120   307.170    71.559   43.620  6.5434  49.443  6.0937  -5.823307      8.941444 
1 1 1 -18 -11 36 o 106.912 3.9014  1400.13    101.208  1396.64    143.632  1403.57    142.632  106.103 5.5988  106.390 5.5445  -0.2862930     7.879594 
1 1 1 -18 -11 37 o 104.165 3.8581  1330.04    97.511   1279.97    138.335  1379.49    137.473  101.447 5.6422  105.439 5.3914  -3.992424      7.803988 
1 1 1 -18 -11 38 o 69.701  3.8637  597.865    65.088   608.521    90.644   586.523    93.520   69.861  5.3891  68.477  5.6798  1.383476       7.829543 
1 1 1 -18 -11 39 o 41.091  4.5819  210.826    44.905   168.534    60.989   260.899    66.362   35.921  7.2475  45.281  6.2031  -9.360653      9.539630 
1 1 1 -18 -11 40 o 69.805  5.0787  607.638    85.431   681.363    107.298  479.960    141.203  73.524  6.0687  59.636  10.120  13.88846       11.80019 
1 1 1 -18 -11 41 o 43.601  5.8026  241.690    59.864   319.507    72.058   68.335     107.551  50.138  6.0451  27.309  10.853  22.82867       12.42328 
1 1 1 -18 -11 42 o 12.624  5.7268  -20.0469   37.990   4.2851     46.170   -71.0526   66.847   16.033  6.8099  14.816  7.0111  1.216570       9.773941 
1 1 1 -18 -11 43 o 16.813  7.0724  8.4609     49.023   41.186     64.789   -35.3691   74.980   21.601  8.4745  17.637  8.0180  3.963619       11.66642 
1 1 1 -18 -11 44 o 29.649  7.5584  117.293    54.540   150.819    73.060   75.091     81.969   33.287  8.8812  25.901  9.6854  7.385096       13.14092 
1 1 1 -18 -11 45 o 58.028  4.7462  421.297    66.241   370.861    93.202   472.776    94.162   53.274  7.4110  60.723  6.4914  -7.449966      9.851943 
1 1 1 -18 -11 46 o 24.252  9.7464  50.343     87.721   -125.5589  205.991  89.309     96.952   26.483  12.463  27.798  10.505  -1.315510      16.29960 
1 1 1 -18 -11 47 o 32.749  10.866  149.040    100.755  -33.3999   217.776  198.726    113.650  29.527  13.516  37.047  11.468  -7.520237      17.72530 
1 1 1 -18 -11 48 o 20.163  7.5378  43.409     49.642   56.412     68.194   28.750     72.404   23.013  8.7825  21.108  8.7143  1.904703       12.37216 
1 1 1 -18 -11 49 o 47.029  5.5040  283.389    61.619   241.812    85.035   329.360    89.415   41.824  8.6644  49.589  7.6795  -7.765144      11.57784 
1 1 1 -18 -11 50 o 31.150  7.4462  132.471    55.516   209.066    72.710   25.398     85.968   39.066  7.9412  21.979  9.3116  17.08766       12.23805 
1 1 1 -18 -11 51 o 53.684  5.0991  367.854    65.623   335.730    90.997   402.664    94.725   49.686  7.8052  54.839  7.3003  -5.152134      10.68716 
1 1 1 -18 -11 52 o 55.600  5.0534  395.214    67.430   404.706    93.677   385.008    97.136   54.885  7.2086  53.120  7.7657  1.765121       10.59582 
1 1 1 -18 -11 53 o 47.761  5.6217  296.973    63.900   301.279    85.354   291.482    96.385   46.722  7.8043  44.957  9.1471  1.765278       12.02402 
1 1 1 -18 -11 54 o 47.559  5.8559  297.028    66.147   237.488    89.877   367.391    97.705   40.142  9.3941  51.296  8.1203  -11.15488      12.41728 
1 1 1 -18 -11 55 o 27.663  8.6076  109.752    63.933   59.783     72.113   293.272    138.199  22.903  8.9532  41.574  12.605  -18.67161      15.46114 
1 1 1 -18 -11 56 o 20.216  7.4680  48.614     48.440   74.486     51.730   -135.5741  138.024  23.428  7.7866  19.839  9.5690  3.589045       12.33685 
1 1 1 -18 -11 57 o 12.288  5.5171  -11.7661   34.218   1.5734     37.859   -71.2904   79.973   14.096  6.0800  16.091  7.6301  -1.994914      9.756270 
1 1 1 -18 -11 58 o 47.970  5.3562  298.863    61.279   271.546    76.923   346.306    101.375  44.436  7.3943  49.140  8.8266  -4.704216      11.51457 
1 1 1 -18 -11 59 o 30.621  10.757  143.133    99.001   -332.5077  336.682  188.152    103.580  26.853  13.342  34.431  10.989  -7.578621      17.28518 
1 1 1 -18 -11 60 o 17.213  8.0636  -53.6890   84.548   -347.2574  362.652  -36.8154   86.944   27.161  13.552  18.185  8.4019  8.976011       15.94513 
1 1 1 -18 -11 61 o 30.635  11.303  151.706    110.898  106.931    384.868  155.761    115.810  32.465  15.738  30.902  11.521  1.563122       19.50465 
1 1 1 -18 -10 1  o 19.220  5.8507  45.427     29.731   1.7083     45.388   78.284     39.347   15.948  6.7618  24.802  6.4703  -8.854160      9.358788 
1 1 1 -18 -10 2  o 26.687  4.5903  89.322     28.652   101.919    45.513   81.051     36.877   28.255  6.7340  25.223  6.0937  3.031614       9.081867 
1 1 1 -18 -10 3  o 7.1451  3.4631  -31.3810   18.613   -41.6272   27.365   -22.5586   25.392   8.9093  4.2884  9.6892  4.4990  -0.7798519     6.215394 
1 1 1 -18 -10 4  o 114.380 3.7359  1592.72    103.683  1693.34    158.881  1518.08    136.836  117.689 5.5638  111.507 5.0575  6.182343       7.518906 
1 1 1 -18 -10 5  o 46.549  4.4234  266.477    49.361   151.712    87.737   319.624    59.706   34.543  9.9355  50.950  4.8896  -16.40705      11.07354 
1 1 1 -18 -10 6  o 101.103 5.5963  1253.03    136.752  1123.15    225.578  1328.49    171.952  94.623  9.9754  103.847 6.8628  -9.224144      12.10814 
1 1 1 -18 -10 7  o 25.195  8.1141  76.210     56.377   218.828    100.610  10.932     68.067   41.183  10.137  20.112  8.3880  21.07106       13.15715 
1 1 1 -18 -10 8  o 124.977 5.7265  1909.13    173.654  1974.91    275.627  1865.83    223.616  126.100 9.0688  122.998 7.5290  3.102524       11.78685 
1 1 1 -18 -10 9  o 103.610 3.6181  1306.22    90.960   1216.37    129.512  1393.68    127.778  99.663  5.3755  106.888 4.9268  -7.224129      7.291739 
1 1 1 -18 -10 10 o 141.335 4.0342  2432.28    138.346  2236.36    197.923  2619.45    193.456  135.221 6.0324  146.455 5.4440  -11.23358      8.125639 
1 1 1 -18 -10 11 o 30.861  6.3832  120.830    46.222   120.830    46.222   0.0000     0.0000   30.861  6.3832  ?       ?       0.000000       6.383248 
1 1 1 -18 -10 12 o 127.542 5.6834  1987.61    175.885  1987.61    175.885  0.0000     0.0000   127.542 5.6834  ?       ?       0.000000       5.683448 
1 1 1 -18 -10 13 o 129.127 5.7980  2037.87    181.660  2037.87    181.660  0.0000     0.0000   129.127 5.7980  ?       ?       0.000000       5.797996 
1 1 1 -18 -10 14 o 103.057 4.0155  1293.09    100.412  1239.29    141.925  1347.02    142.082  100.525 5.8438  104.862 5.6045  -4.336426      8.096927 
1 1 1 -18 -10 15 o 126.769 4.0016  1956.55    123.086  2233.31    181.010  1718.51    167.871  135.225 5.5168  118.573 5.8348  16.65189       8.029931 
1 1 1 -18 -10 16 o 126.417 4.0346  1945.84    123.757  2233.37    181.356  1695.26    169.304  135.223 5.5274  117.602 5.9526  17.62122       8.123102 
1 1 1 -18 -10 17 o 34.102  5.5798  145.692    44.573   160.011    79.822   139.204    53.731   35.337  9.2143  33.095  6.9141  2.242844       11.51986 
1 1 1 -18 -10 18 o 146.852 4.2231  2626.78    150.480  2877.36    218.435  2400.44    207.599  153.414 5.8681  140.079 6.1078  13.33450       8.469933 
1 1 1 -18 -10 19 o 110.386 5.5698  1492.36    148.702  1653.03    204.037  1310.34    217.169  115.812 7.2982  102.675 8.8022  13.13710       11.43428 
1 1 1 -18 -10 20 o 125.551 5.5973  1926.07    170.515  2036.03    231.923  1796.70    251.562  128.520 7.4694  120.369 8.6713  8.151703       11.44483 
1 1 1 -18 -10 21 o 15.995  7.0624  -16.1601   53.727   -2.4704    81.570   -26.6502   71.404   20.960  8.9806  18.096  8.0578  2.864004       12.06563 
1 1 1 -18 -10 22 o 103.186 3.8801  1296.34    97.147   1416.71    141.620  1189.35    133.512  107.550 5.4446  98.489  5.6101  9.061241       7.817702 
1 1 1 -18 -10 23 o 47.802  5.1006  282.072    58.247   416.220    105.170  222.719    69.955   57.671  7.7087  42.031  7.1133  15.64034       10.48913 
1 1 1 -18 -10 24 o 88.646  8.0458  976.268    171.173  0.0000     0.0000   976.268    171.173  ?       ?       88.646  8.0458  0.000000       8.045836 
1 1 1 -18 -10 25 o 13.729  6.3240  -37.3858   48.720   0.0000     0.0000   -37.3858   48.720   ?       ?       13.729  6.3240  0.000000       6.323993 
1 1 1 -18 -10 26 o 23.337  8.0422  61.306     55.211   275.853    189.681  41.447     57.709   46.516  14.873  21.442  8.1040  25.07410       16.93776 
1 1 1 -18 -10 27 o 37.881  8.0141  183.706    71.363   221.372    123.488  164.820    87.442   41.350  11.753  35.796  9.7868  5.553699       15.29431 
1 1 1 -18 -10 28 o 72.180  5.9017  642.787    102.457  633.761    171.772  647.772    127.651  70.478  10.353  72.122  7.3993  -1.644096      12.72563 
1 1 1 -18 -10 29 o 104.597 5.8108  1345.71    146.894  1208.22    237.830  1430.52    186.779  97.704  10.182  107.464 7.2048  -9.760529      12.47298 
1 1 1 -18 -10 30 o 147.106 4.9067  2647.47    175.138  2524.30    218.594  2868.27    292.681  143.260 6.2885  151.889 7.9694  -8.629089      10.15168 
1 1 1 -18 -10 31 o 60.143  4.0872  443.649    59.291   392.658    82.669   497.664    85.084   56.159  6.1685  63.431  5.5851  -7.272701      8.321266 
1 1 1 -18 -10 32 o 80.046  3.7740  782.034    73.300   741.837    102.635  823.880    104.718  77.516  5.4924  81.755  5.3077  -4.239029      7.637946 
1 1 1 -18 -10 33 o 14.779  5.9352  12.922     32.506   4.4450     42.822   24.448     49.933   15.691  6.6057  18.684  7.4047  -2.992289      9.922929 
1 1 1 -18 -10 34 o 45.245  4.5426  253.444    49.196   260.222    67.243   245.639    72.166   45.454  6.2633  43.939  7.0040  1.514462       9.396026 
1 1 1 -18 -10 35 o 16.919  6.3878  26.289     35.832   46.783     45.201   -8.3705    58.782   20.560  7.2640  17.189  7.4939  3.371130       10.43670 
1 1 1 -18 -10 36 o 91.089  3.9940  1016.78    88.276   939.166    123.809  1097.04    125.899  86.841  5.9109  94.028  5.5428  -7.186806      8.103173 
1 1 1 -18 -10 37 o 46.028  4.9659  264.301    54.582   283.243    73.373   240.830    81.674   47.199  6.5862  42.951  8.1347  4.247742       10.46673 
1 1 1 -18 -10 38 o 72.399  4.0428  645.741    70.737   535.735    98.937   760.777    101.174  65.187  6.3352  78.165  5.3670  -12.97861      8.302937 
1 1 1 -18 -10 39 o 46.421  4.6711  268.656    51.899   278.529    70.168   256.730    77.114   46.762  6.3483  44.493  7.4031  2.268566       9.752262 
1 1 1 -18 -10 40 o 112.765 5.3191  1581.36    145.538  1565.90    187.538  1604.77    230.764  111.037 6.9966  111.140 8.6248  -0.1030884     11.10579 
1 1 1 -18 -10 41 o 101.600 5.2346  1287.76    128.607  1245.49    163.238  1356.95    208.821  98.961  6.8402  102.054 8.5105  -3.093803      10.91869 
1 1 1 -18 -10 42 o 84.648  4.0734  883.555    83.664   734.742    117.577  1036.19    119.076  76.043  6.4326  90.957  5.4200  -14.91437      8.411595 
1 1 1 -18 -10 43 o 21.774  7.7096  55.041     50.943   49.753     69.552   61.161     74.826   22.806  8.8266  24.239  9.2118  -1.433172      12.75801 
1 1 1 -18 -10 44 o 26.840  7.5915  95.455     51.652   182.770    72.099   3.3921     74.033   36.859  8.2655  19.740  8.5084  17.11876       11.86219 
1 1 1 -18 -10 45 o 52.833  5.0951  351.305    64.506   246.711    89.116   466.420    93.491   42.608  8.9067  60.312  6.4907  -17.70451      11.02080 
1 1 1 -18 -10 46 o 15.954  7.5802  -86.1611   79.707   -108.4043  197.045  -81.8094   87.156   26.320  12.324  17.085  8.0606  9.234848       14.72556 
1 1 1 -18 -10 47 o 85.611  7.1808  951.814    147.787  1032.07    282.337  921.526    173.447  81.261  14.867  82.942  8.7505  -1.680672      17.25113 
1 1 1 -18 -10 48 o 40.702  6.3357  215.987    60.536   214.857    85.047   217.148    86.185   39.277  9.1019  39.452  9.1764  -0.1751251     12.92483 
1 1 1 -18 -10 49 o 20.098  7.7489  40.066     53.447   4.6839     72.940   81.090     78.541   19.406  8.4047  25.762  9.5107  -6.355408      12.69223 
1 1 1 -18 -10 50 o 16.314  6.9587  6.0295     48.579   126.135    64.791   -148.1908  73.418   30.062  8.5023  12.967  6.4047  17.09523       10.64475 
1 1 1 -18 -10 51 o 24.004  7.8800  76.626     53.038   112.256    69.918   28.333     81.400   28.319  9.0274  21.629  9.1065  6.690226       12.82267 
1 1 1 -18 -10 52 o 29.399  7.8460  120.780    57.011   145.199    74.395   86.039     88.739   31.689  9.1590  26.220  10.016  5.468737       13.57201 
1 1 1 -18 -10 53 o 31.935  7.4332  141.611    56.519   145.140    77.421   137.585    82.698   31.438  9.4128  30.559  9.8259  0.8791962      13.60697 
1 1 1 -18 -10 54 o 56.259  5.1334  407.420    69.303   407.646    97.097   407.184    98.949   54.554  7.5364  54.380  7.7154  0.1745377      10.78544 
1 1 1 -18 -10 55 o 35.031  8.2289  175.230    68.756   190.550    80.483   133.850    132.272  35.939  9.1926  30.424  12.054  5.515579       15.15886 
1 1 1 -18 -10 56 o 25.554  8.5414  90.980     62.223   102.758    71.761   55.300     124.901  26.919  9.1719  25.770  11.079  1.148659       14.38305 
1 1 1 -18 -10 57 o 41.071  6.4689  226.172    62.333   231.123    86.122   220.725    90.334   39.767  9.1197  38.415  9.6919  1.351746       13.30794 
1 1 1 -18 -10 58 o 60.066  5.0449  463.576    72.846   376.838    95.617   583.559    112.458  52.178  7.7910  65.660  7.1755  -13.48183      10.59188 
1 1 1 -18 -10 59 o 27.584  10.811  102.608    105.338  -166.5006  371.495  126.136    109.846  29.846  14.678  29.357  11.160  0.4895973      18.43881 
1 1 1 -18 -10 60 o 28.494  10.775  119.541    102.062  221.057    349.477  110.075    106.714  34.973  16.387  27.898  10.895  7.074623       19.67830 
1 1 1 -18 -9  1  o 76.079  4.7284  709.022    86.855   610.785    131.444  785.156    115.716  69.964  7.8800  79.847  6.0169  -9.883125      9.914519 
1 1 1 -18 -9  2  o 28.902  5.0046  104.864    33.826   62.069     50.772   139.019    45.358   23.095  7.7156  33.232  5.8382  -10.13710      9.675459 
1 1 1 -18 -9  3  o 99.651  3.5901  1208.53    86.807   1443.76    133.366  1035.61    114.346  108.751 5.0541  91.954  5.1456  16.79709       7.212566 
1 1 1 -18 -9  4  o 151.393 4.2769  2792.70    157.110  2464.30    234.753  3059.11    211.444  141.741 6.8258  158.225 5.5075  -16.48410      8.770616 
1 1 1 -18 -9  5  o 106.632 3.8161  1384.11    98.735   1205.88    150.733  1518.05    130.670  99.048  6.3047  111.560 4.8273  -12.51203      7.940541 
1 1 1 -18 -9  6  o 180.868 6.5968  4007.95    289.506  4366.13    444.476  3744.03    381.540  187.432 9.8074  173.831 9.0774  13.60161       13.36349 
1 1 1 -18 -9  7  o 113.174 5.6379  1564.94    154.820  1622.78    251.373  1529.60    196.516  114.247 9.1446  111.391 7.3114  2.856148       11.70817 
1 1 1 -18 -9  8  o 157.513 5.0391  3026.85    192.589  2904.90    368.201  3072.79    225.965  152.761 9.9886  158.545 5.8739  -5.783859      11.58771 
1 1 1 -18 -9  9  o 26.842  5.4334  91.115     34.173   60.049     44.436   136.086    53.464   22.407  7.2024  32.713  6.9501  -10.30536      10.00890 
1 1 1 -18 -9  10 o 119.405 6.9082  1753.30    199.294  1753.30    199.294  0.0000     0.0000   119.405 6.9082  ?       ?       0.000000       6.908202 
1 1 1 -18 -9  11 o 111.240 5.6695  1515.53    152.521  1515.53    152.521  0.0000     0.0000   111.240 5.6695  ?       ?       0.000000       5.669549 
1 1 1 -18 -9  12 o 136.429 5.9529  2275.34    197.059  2275.34    197.059  0.0000     0.0000   136.429 5.9529  ?       ?       0.000000       5.952857 
1 1 1 -18 -9  13 o 75.792  4.1253  701.524    75.579   744.076    106.360  658.123    107.418  77.844  5.6701  73.110  6.1113  4.733276       8.336533 
1 1 1 -18 -9  14 f 71.591  3.9779  625.820    68.827   783.782    105.318  508.062    90.932   79.938  5.4625  64.208  5.9028  15.72993       8.042485 
1 1 1 -18 -9  15 o 135.066 4.0334  2220.98    132.186  2414.25    192.620  2048.95    181.734  140.585 5.6467  129.491 5.7840  11.09364       8.083365 
1 1 1 -18 -9  16 o 106.650 3.8465  1384.34    99.539   1569.05    146.084  1224.25    135.997  113.379 5.3101  99.957  5.6302  13.42191       7.739274 
1 1 1 -18 -9  17 o 125.176 3.9626  1907.46    120.354  2064.56    175.263  1767.27    165.563  130.016 5.5556  120.274 5.6732  9.741814       7.940386 
1 1 1 -18 -9  18 o 19.926  6.8603  44.250     40.171   85.173     70.274   24.388     48.958   27.057  9.0770  18.670  7.3533  8.386637       11.68177 
1 1 1 -18 -9  19 o 158.212 6.1203  3061.88    234.949  3325.38    318.721  2748.28    347.705  164.405 7.9897  148.679 9.6912  15.72554       12.56004 
1 1 1 -18 -9  20 o 109.567 5.3819  1465.87    143.081  1538.56    192.404  1375.94    214.010  111.760 7.1324  105.337 8.4441  6.423035       11.05321 
1 1 1 -18 -9  21 f 176.843 6.4024  3829.42    274.724  3861.69    372.334  3790.86    407.014  176.906 8.6741  174.684 9.6400  2.221878       12.96801 
1 1 1 -18 -9  22 o 104.433 4.3790  1329.03    110.963  1664.86    188.485  1150.90    137.271  116.353 6.7047  96.839  5.8698  19.51357       8.911063 
1 1 1 -18 -9  23 o 153.680 6.0133  2889.87    224.232  0.0000     0.0000   2889.87    224.232  ?       ?       153.680 6.0133  0.000000       6.013336 
1 1 1 -18 -9  24 o 92.182  5.1283  1040.70    114.251  0.0000     0.0000   1040.70    114.251  ?       ?       92.182  5.1283  0.000000       5.128264 
1 1 1 -18 -9  25 o 37.252  8.0724  177.540    70.858   50.503     197.903  196.220    75.889   34.503  14.339  39.171  8.2454  -4.667385      16.54054 
1 1 1 -18 -9  26 o 90.937  4.1671  1007.87    91.947   1112.23    137.812  924.142    123.438  95.113  6.0023  86.684  5.9039  8.429245       8.419262 
1 1 1 -18 -9  27 o 127.793 6.2650  2002.92    194.265  2032.34    314.860  1984.83    246.852  127.190 10.291  126.519 8.0833  0.6711884      13.08570 
1 1 1 -18 -9  28 o 97.531  6.3934  1172.77    150.462  1053.26    254.199  1237.22    186.675  90.650  11.840  99.813  7.7691  -9.163185      14.16112 
1 1 1 -18 -9  29 o 42.855  9.4191  237.521    95.271   178.255    183.842  259.280    111.396  40.001  14.584  44.606  10.472  -4.605156      17.95432 
1 1 1 -18 -9  30 o 105.227 4.0726  1351.05    103.983  1311.29    147.317  1390.54    146.792  103.180 5.9088  106.313 5.7114  -3.133064      8.217952 
1 1 1 -18 -9  31 o 73.027  4.0900  653.123    72.181   663.007    100.832  642.733    103.375  73.255  5.7180  72.062  5.9658  1.193649       8.263603 
1 1 1 -18 -9  32 o 137.473 4.1937  2309.83    139.889  2300.03    199.783  2319.25    195.939  136.647 6.0255  137.266 5.8829  -0.6181946     8.421144 
1 1 1 -18 -9  33 o 215.295 5.2003  5694.34    271.660  5484.36    387.296  5897.71    381.147  209.803 7.6079  217.857 7.2104  -8.054276      10.48188 
1 1 1 -18 -9  34 o 32.982  6.1185  138.608    47.163   154.336    62.383   117.626    72.053   34.507  7.6514  30.274  9.0843  4.232622       11.87719 
1 1 1 -18 -9  35 o 137.111 4.2098  2303.96    140.055  2232.59    200.061  2372.55    196.131  134.209 6.1435  138.495 5.8364  -4.285843      8.473886 
1 1 1 -18 -9  36 o 38.553  5.2537  186.665    47.866   163.111    63.305   218.106    73.141   35.396  7.5981  41.057  7.6226  -5.661064      10.76267 
1 1 1 -18 -9  37 o 21.355  6.6666  56.863     38.315   48.742     48.553   70.270     62.380   21.035  7.5181  24.518  8.5428  -3.483141      11.37990 
1 1 1 -18 -9  38 o 44.809  4.8915  250.794    52.318   209.060    70.043   303.466    78.688   40.093  7.4750  48.729  6.8438  -8.635994      10.13469 
1 1 1 -18 -9  39 o 63.131  4.7806  495.289    72.686   450.966    87.314   595.338    131.183  59.773  6.1060  67.819  8.1342  -8.046257      10.17091 
1 1 1 -18 -9  40 o 80.020  5.1122  797.826    98.742   748.333    122.944  887.766    165.733  76.785  6.6649  82.664  8.3786  -5.878754      10.70616 
1 1 1 -18 -9  41 o 17.004  6.7656  20.960     41.838   13.509     48.073   44.221     84.942   17.160  7.0939  23.826  9.5852  -6.665583      11.92473 
1 1 1 -18 -9  42 f 47.936  4.9192  288.184    56.406   277.925    74.431   302.024    86.450   46.388  6.8161  48.024  7.6775  -1.636372      10.26662 
1 1 1 -18 -9  43 o 58.903  5.0003  434.515    70.789   396.365    96.404   479.156    104.283  55.240  7.3768  60.901  7.1962  -5.660679      10.30542 
1 1 1 -18 -9  44 o 16.306  7.0560  -1.9131    51.326   29.240     66.445   -48.0064   80.821   20.739  8.4298  17.769  8.1703  2.969666       11.73947 
1 1 1 -18 -9  45 o 33.086  7.4768  145.994    58.610   120.733    77.290   180.176    89.908   29.978  9.4845  35.975  9.9601  -5.997610      13.75351 
1 1 1 -18 -9  46 o 81.114  7.2837  853.497    141.826  759.387    272.117  888.596    166.182  67.780  16.663  81.851  8.4911  -14.07045      18.70174 
1 1 1 -18 -9  47 o 32.950  10.905  151.561    101.493  168.971    220.174  146.864    114.369  36.791  15.193  32.749  11.556  4.041817       19.08868 
1 1 1 -18 -9  48 o 59.688  4.8965  449.044    70.290   472.940    97.934   423.655    100.945  60.241  6.8201  56.557  7.5440  3.684536       10.16988 
1 1 1 -18 -9  49 o 33.562  6.9526  150.911    54.757   117.645    79.168   181.420    75.817   29.218  9.6290  36.034  8.7572  -6.816065      13.01566 
1 1 1 -18 -9  50 f 20.301  7.3444  48.198     46.491   8.2657     66.445   86.497     65.073   18.797  8.0811  25.575  8.7339  -6.777563      11.89894 
1 1 1 -18 -9  51 o 29.231  7.2944  117.208    51.570   156.772    76.221   83.808     70.032   33.023  9.1806  25.358  9.0328  7.665655       12.87927 
1 1 1 -18 -9  52 o 22.382  7.8117  64.131     52.170   141.286    70.440   -29.6119   77.643   31.360  8.8638  17.766  8.1086  13.59321       12.01315 
1 1 1 -18 -9  53 o 31.299  7.3521  135.876    54.886   252.087    72.816   -17.0210   83.522   43.010  7.2342  18.984  8.5625  24.02631       11.20935 
1 1 1 -18 -9  54 o 32.831  8.8677  157.111    72.304   119.766    85.104   254.014    137.088  28.735  9.9802  38.779  12.666  -10.04349      16.12522 
1 1 1 -18 -9  55 o 49.211  6.8680  326.671    79.774   355.333    94.362   254.870    149.352  50.530  7.9597  38.273  13.225  12.25675       15.43573 
1 1 1 -18 -9  56 o 25.737  7.8442  92.635     53.418   139.432    71.619   33.961     80.195   30.867  9.0053  21.580  9.0598  9.287256       12.77398 
1 1 1 -18 -9  57 o 15.984  6.8900  4.2418     48.556   49.101     63.840   -57.3268   74.791   21.457  8.4140  16.039  7.5361  5.417603       11.29554 
1 1 1 -18 -9  58 o 28.648  10.957  115.221    106.291  -330.4992  368.222  155.737    111.017  28.119  13.968  31.742  11.366  -3.623363      18.00830 
1 1 1 -18 -9  59 o 25.028  10.531  60.462     108.743  467.692    377.491  23.611     113.556  41.101  18.398  23.376  10.297  17.72439       21.08343 
1 1 1 -18 -9  60 o 19.852  9.0163  -15.1539   94.529   375.452    376.121  -41.4896   97.663   37.856  17.485  19.011  8.8262  18.84427       19.58623 
1 1 1 -18 -8  1  f 111.804 4.1343  1522.97    112.155  1338.74    205.164  1601.48    133.939  103.872 8.2071  114.563 4.8184  -10.69077      9.517009 
1 1 1 -18 -8  2  o 104.007 3.7661  1316.83    95.043   1078.57    143.656  1502.31    126.749  93.625  6.3614  110.984 4.7067  -17.35937      7.913312 
1 1 1 -18 -8  3  o 85.530  3.6385  890.250    75.511   864.215    116.125  909.323    99.393   83.887  5.7396  86.217  4.7697  -2.329758      7.462785 
1 1 1 -18 -8  4  o 234.995 5.3593  6743.40    305.585  6242.68    437.611  7219.93    426.913  225.204 8.0084  242.503 7.2553  -17.29897      10.80626 
1 1 1 -18 -8  5  o 154.611 4.8104  2915.08    180.463  2801.30    224.576  3122.47    303.195  151.325 6.1163  159.341 7.8421  -8.016052      9.945213 
1 1 1 -18 -8  6  o 57.520  11.428  426.337    153.872  426.337    153.872  0.0000     0.0000   57.520  11.428  ?       ?       0.000000       11.42770 
1 1 1 -18 -8  7  o 231.300 10.533  6646.55    591.154  0.0000     0.0000   6646.55    591.154  ?       ?       231.300 10.533  0.000000       10.53321 
1 1 1 -18 -8  8  o 134.013 3.9926  2186.31    129.827  2047.42    186.305  2317.44    181.016  129.421 5.9327  137.777 5.4147  -8.356079      8.032230 
1 1 1 -18 -8  9  o 45.090  5.6325  252.105    60.279   252.105    60.279   0.0000     0.0000   45.090  5.6325  ?       ?       0.000000       5.632518 
1 1 1 -18 -8  10 o 59.262  5.3066  431.976    75.497   431.976    75.497   0.0000     0.0000   59.262  5.3066  ?       ?       0.000000       5.306623 
1 1 1 -18 -8  11 o 66.598  6.0145  546.514    96.142   546.514    96.142   0.0000     0.0000   66.598  6.0145  ?       ?       0.000000       6.014455 
1 1 1 -18 -8  12 o 110.762 3.9377  1493.24    105.827  1486.93    150.398  1499.44    148.936  110.198 5.6437  110.815 5.5391  -0.6178589     7.907765 
1 1 1 -18 -8  13 f 95.339  3.7506  1106.02    86.763   1161.11    126.529  1057.12    119.201  97.388  5.3753  92.922  5.3089  4.466507       7.555029 
1 1 1 -18 -8  14 o 106.182 3.8319  1372.06    98.725   1383.90    142.954  1361.26    136.505  106.316 5.5609  105.476 5.3513  0.8399734      7.717503 
1 1 1 -18 -8  15 o 60.780  3.9104  451.466    57.362   529.560    87.707   393.091    75.829   65.624  5.5605  56.462  5.6092  9.161644       7.898198 
1 1 1 -18 -8  16 o 59.355  4.0356  430.851    57.776   388.280    87.534   463.713    76.908   55.944  6.5739  61.431  5.2087  -5.487446      8.387293 
1 1 1 -18 -8  17 o 35.490  5.3033  157.054    44.268   100.491    71.135   192.803    56.553   28.732  9.0999  39.249  6.1394  -10.51723      10.97730 
1 1 1 -18 -8  18 o 134.967 4.1430  2218.14    135.676  2528.62    196.355  1934.45    187.689  143.882 5.6243  125.764 6.1506  18.11782       8.334447 
1 1 1 -18 -8  19 o 234.883 7.8251  6782.03    445.970  7424.08    612.112  6055.63    651.083  244.571 10.315  219.552 12.271  25.01846       16.03030 
1 1 1 -18 -8  20 o 37.221  8.1078  176.949    71.152   180.051    103.047  174.122    98.365   37.581  10.755  36.952  10.485  0.6295891      15.02037 
1 1 1 -18 -8  21 o 160.523 6.2592  3153.44    243.791  3488.97    330.435  2752.62    361.155  168.359 8.0888  148.637 10.073  19.72169       12.91906 
1 1 1 -18 -8  22 o 221.887 7.3706  6046.94    396.827  0.0000     0.0000   6046.94    396.827  ?       ?       221.887 7.3706  0.000000       7.370648 
1 1 1 -18 -8  23 o 83.716  5.2940  859.167    106.983  0.0000     0.0000   859.167    106.983  ?       ?       83.716  5.2940  0.000000       5.293996 
1 1 1 -18 -8  24 o 90.479  5.3116  1003.30    116.099  0.0000     0.0000   1003.30    116.099  ?       ?       90.479  5.3116  0.000000       5.311607 
1 1 1 -18 -8  25 o 117.972 4.2386  1696.05    121.330  1881.80    179.129  1538.59    164.923  123.996 5.9538  111.935 6.0952  12.06038       8.520534 
1 1 1 -18 -8  26 o 130.374 4.1551  2071.39    131.443  1931.30    187.087  2207.95    184.712  125.555 6.1411  134.344 5.6665  -8.788872      8.355938 
1 1 1 -18 -8  27 o 37.906  10.220  185.395    96.142   168.928    177.775  192.202    114.299  39.336  14.342  38.739  11.398  0.5970497      18.31919 
1 1 1 -18 -8  28 o 63.803  7.5992  508.905    115.330  498.769    213.311  513.092    137.096  61.107  14.588  63.661  9.1374  -2.553642      17.21376 
1 1 1 -18 -8  29 o 89.850  6.4927  997.371    140.595  990.174    241.406  1001.07    172.954  87.834  11.612  89.591  8.0418  -1.756645      14.12468 
1 1 1 -18 -8  30 o 159.550 4.4601  3109.53    172.665  3051.25    246.583  3165.60    241.856  157.463 6.4539  160.470 6.2115  -3.007065      8.957426 
1 1 1 -18 -8  31 o 98.556  4.0504  1185.79    96.861   1115.45    136.461  1257.22    137.510  95.070  5.9455  101.038 5.6314  -5.967636      8.189121 
1 1 1 -18 -8  32 o 121.062 4.1249  1790.85    121.168  1657.10    171.554  1923.98    171.162  115.803 6.1273  125.094 5.6390  -9.291824      8.327187 
1 1 1 -18 -8  33 f 98.197  4.0248  1178.72    95.898   1195.74    135.090  1161.44    136.157  98.379  5.6834  96.913  5.8171  1.466682       8.132672 
1 1 1 -18 -8  34 o 103.952 4.0330  1322.12    101.724  1215.03    143.502  1430.28    144.220  98.978  6.0036  107.584 5.5436  -8.605843      8.171605 
1 1 1 -18 -8  35 o 68.438  4.1714  576.022    68.940   487.943    95.624   671.349    99.481   62.378  6.4091  73.517  5.6194  -11.13972      8.523716 
1 1 1 -18 -8  36 o 32.473  6.0261  134.814    45.733   150.725    58.950   110.761    72.478   34.053  7.3500  29.399  9.1676  4.653597       11.75024 
1 1 1 -18 -8  37 o 15.578  6.4167  10.485     39.145   -45.4606   48.822   111.199    65.505   13.164  6.1543  29.219  8.6375  -16.05505      10.60573 
1 1 1 -18 -8  38 o 32.660  6.1741  137.220    47.135   117.976    60.914   165.935    74.409   29.924  8.1630  35.298  8.7352  -5.373436      11.95574 
1 1 1 -18 -8  39 o 68.618  5.2244  587.317    86.329   606.627    106.331  549.975    147.870  69.278  6.3979  64.260  9.7932  5.017738       11.69787 
1 1 1 -18 -8  40 f 64.120  5.2216  514.032    80.533   439.261    98.350   666.183    140.296  58.516  7.0701  71.591  8.2259  -13.07497      10.84677 
1 1 1 -18 -8  41 o 13.873  6.1180  -9.5191    40.202   -47.3612   45.926   114.548    83.157   12.471  5.8739  29.714  9.8723  -17.24300      11.48763 
1 1 1 -18 -8  42 o 38.982  6.8279  197.667    62.230   85.707     85.351   324.729    90.925   27.116  9.9296  49.783  7.7821  -22.66714      12.61575 
1 1 1 -18 -8  43 o 48.161  5.5784  293.795    63.982   323.939    88.066   260.097    93.112   49.796  7.5232  43.842  9.0527  5.953949       11.77077 
1 1 1 -18 -8  44 o 31.505  7.6192  132.540    57.606   85.259     76.126   195.892    88.119   26.478  9.4191  37.681  9.6083  -11.20350      13.45509 
1 1 1 -18 -8  45 o 56.358  8.2043  420.772    108.900  469.340    227.670  406.363    124.007  53.557  16.165  54.473  9.7395  -0.9162369     18.87276 
1 1 1 -18 -8  46 o 79.542  6.6474  812.528    127.120  308.562    247.426  993.262    148.171  43.866  16.732  87.719  7.0204  -43.85309      18.14486 
1 1 1 -18 -8  47 o 45.152  5.9743  262.401    63.845   355.903    83.620   131.697    98.865   52.310  6.7453  31.162  10.761  21.14811       12.69990 
1 1 1 -18 -8  48 o 26.398  7.5330  93.850     50.626   63.736     71.506   124.116    71.687   23.873  9.0213  29.969  9.0767  -6.096605      12.79725 
1 1 1 -18 -8  49 o 36.732  6.1342  176.749    52.745   152.769    76.763   198.196    72.596   32.864  9.2406  37.994  8.1209  -5.130581      12.30190 
1 1 1 -18 -8  50 o 60.154  4.7320  457.421    68.509   374.692    98.285   535.602    95.546   52.530  7.9606  64.222  6.2090  -11.69206      10.09568 
1 1 1 -18 -8  51 o 30.650  6.9500  127.724    50.496   121.956    73.407   132.905    69.572   29.308  9.2400  30.560  8.8641  -1.252371      12.80435 
1 1 1 -18 -8  52 o 19.806  7.6748  40.272     52.634   102.425    69.277   -44.5914   80.950   27.088  9.0113  17.440  8.0751  9.647221       12.10006 
1 1 1 -18 -8  53 o 26.698  7.8982  99.834     54.754   119.980    74.029   75.503     81.356   28.827  9.2995  24.852  9.5664  3.975729       13.34154 
1 1 1 -18 -8  54 o 16.225  7.2375  -10.5782   57.877   -37.0885   66.084   76.716     119.917  15.839  7.3205  26.754  11.144  -10.91428      13.33302 
1 1 1 -18 -8  55 o 39.365  7.9522  217.573    73.342   244.273    85.389   142.468    143.214  41.158  8.8160  31.205  12.484  9.952593       15.28311 
1 1 1 -18 -8  56 o 26.610  7.8058  99.367     53.681   84.106     71.648   118.898    81.052   25.133  9.1137  28.639  9.7476  -3.505655      13.34446 
1 1 1 -18 -8  57 o 28.992  7.7595  118.447    55.663   148.242    73.041   77.168     85.970   31.829  9.0363  25.151  9.7913  6.677242       13.32382 
1 1 1 -18 -8  58 o 37.818  11.702  232.887    118.354  368.802    379.582  218.251    124.564  39.399  17.961  36.364  12.083  3.035000       21.64702 
1 1 1 -18 -8  59 o 17.932  8.5497  -89.5352   103.197  -196.8806  358.774  -79.8528   107.751  28.971  14.282  18.692  8.8613  10.27958       16.80738 
1 1 1 -18 -8  60 o 34.179  12.273  201.955    129.526  762.288    342.858  108.671    139.893  49.964  19.525  28.493  11.964  21.47101       22.89896 
1 1 1 -18 -7  1  o 104.283 3.6960  1323.64    93.522   1273.99    143.178  1360.58    123.512  101.905 5.8146  105.609 4.8200  -3.704544      7.552608 
1 1 1 -18 -7  2  o 122.998 3.8229  1841.56    114.091  1753.48    163.290  1925.56    159.477  119.788 5.6180  125.588 5.2334  -5.800034      7.677923 
1 1 1 -18 -7  3  o 131.865 3.8621  2116.62    123.571  1940.17    176.927  2284.66    172.663  125.988 5.7876  136.814 5.2012  -10.82642      7.781343 
1 1 1 -18 -7  4  o 107.959 3.6295  1418.09    95.075   1334.31    135.736  1498.79    133.212  104.406 5.3763  110.850 4.9527  -6.444511      7.309856 
1 1 1 -18 -7  5  o 80.703  5.5584  799.125    108.180  637.547    176.245  896.800    137.030  70.925  10.564  85.314  6.6727  -14.38924      12.49461 
1 1 1 -18 -7  6  o 255.136 8.4645  8017.94    524.005  7363.14    774.447  8570.84    711.641  241.543 13.265  262.320 11.181  -20.77773      17.34821 
1 1 1 -18 -7  7  o 93.841  5.7016  1079.58    129.208  886.417    217.731  1184.59    160.530  83.761  10.977  98.110  6.7851  -14.34924      12.90496 
1 1 1 -18 -7  8  f 89.476  6.3671  984.340    137.331  984.340    137.331  0.0000     0.0000   89.476  6.3671  ?       ?       0.000000       6.367126 
1 1 1 -18 -7  9  o 66.622  5.3636  545.147    85.970   545.147    85.970   0.0000     0.0000   66.622  5.3636  ?       ?       0.000000       5.363639 
1 1 1 -18 -7  10 o 196.336 7.0749  4725.17    337.040  4725.17    337.040  0.0000     0.0000   196.336 7.0749  ?       ?       0.000000       7.074859 
1 1 1 -18 -7  11 o 47.331  4.8505  275.927    54.919   228.442    78.189   322.165    77.155   42.466  7.8783  50.929  6.3838  -8.463390      10.14009 
1 1 1 -18 -7  12 o 68.855  3.8659  578.758    64.327   518.741    98.045   624.119    85.238   64.824  6.3135  71.375  4.9524  -6.550964      8.024152 
1 1 1 -18 -7  13 o 72.414  3.8900  639.988    68.099   680.634    102.605  607.987    91.042   74.434  5.7250  70.381  5.3718  4.053925       7.850578 
1 1 1 -18 -7  14 o 42.001  4.8238  217.839    48.269   155.432    77.733   257.003    61.579   34.859  9.0946  45.525  5.6995  -10.66660      10.73298 
1 1 1 -18 -7  15 o 203.530 5.1672  5053.45    255.182  5641.06    364.920  4491.15    356.975  214.542 7.0101  191.233 7.6933  23.30872       10.40803 
1 1 1 -18 -7  16 o 70.357  4.0754  604.622    69.276   574.427    107.259  626.234    90.741   68.198  6.5629  71.448  5.2714  -3.249908      8.417779 
1 1 1 -18 -7  17 o 89.230  3.9531  969.112    85.588   1141.20    129.381  835.210    114.129  96.519  5.5478  82.492  5.7376  14.02718       7.981102 
1 1 1 -18 -7  18 f 103.963 5.8064  1324.63    145.884  1670.27    199.734  929.396    213.585  116.506 7.0993  85.950  10.457  30.55616       12.63912 
1 1 1 -18 -7  19 o 261.735 8.7011  8445.41    552.586  9890.91    762.789  6849.05    801.605  281.811 11.155  232.206 14.297  49.60501       18.13396 
1 1 1 -18 -7  20 o 71.109  6.1763  623.051    105.506  687.807    154.719  566.763    144.247  74.192  8.7637  67.177  9.0825  7.015221       12.62118 
1 1 1 -18 -7  21 o 98.011  5.2899  1175.94    125.335  0.0000     0.0000   1175.94    125.335  ?       ?       98.011  5.2899  0.000000       5.289879 
1 1 1 -18 -7  22 o 130.557 5.5716  2082.34    176.499  0.0000     0.0000   2082.34    176.499  ?       ?       130.557 5.5716  0.000000       5.571575 
1 1 1 -18 -7  23 o 122.200 5.6219  1824.85    166.693  0.0000     0.0000   1824.85    166.693  ?       ?       122.200 5.6219  0.000000       5.621903 
1 1 1 -18 -7  24 o 175.584 6.6068  3779.12    281.474  2820.51    474.371  4300.03    349.686  148.872 13.271  186.948 7.7089  -38.07573      15.34796 
1 1 1 -18 -7  25 o 66.560  4.2714  542.094    68.621   481.771    95.688   605.962    98.459   62.381  6.4131  70.142  5.8382  -7.760746      8.672496 
1 1 1 -18 -7  26 o 91.066  4.0496  1010.39    89.482   991.154    126.756  1029.50    126.339  89.805  5.8490  91.559  5.7154  -1.754013      8.177835 
1 1 1 -18 -7  27 f 139.620 6.4175  2391.63    217.411  2217.37    347.728  2503.47    278.576  132.652 10.900  142.158 8.1098  -9.506348      13.58589 
1 1 1 -18 -7  28 o 103.747 6.3056  1325.65    157.979  1271.44    275.408  1352.23    192.863  99.849  11.583  104.417 7.6659  -4.567734      13.88980 
1 1 1 -18 -7  29 o 43.587  9.7731  246.287    100.809  264.876    187.130  238.686    119.655  45.522  14.794  42.736  11.348  2.786072       18.64574 
1 1 1 -18 -7  30 o 106.514 4.0289  1384.14    104.127  1301.60    146.980  1467.31    147.537  102.794 5.9178  109.249 5.5843  -6.455208      8.136682 
1 1 1 -18 -7  31 o 18.869  6.8599  36.323     40.631   66.736     52.195   -10.4496   64.728   23.680  7.8192  18.034  7.8631  5.646095       11.08909 
1 1 1 -18 -7  32 o 135.306 4.2454  2238.15    139.379  2117.34    198.519  2355.58    195.735  131.025 6.2443  138.344 5.8310  -7.319489      8.543535 
1 1 1 -18 -7  33 o 57.641  4.4783  409.299    62.142   401.008    85.119   418.761    90.933   56.632  6.3012  57.805  6.6016  -1.173100      9.126131 
1 1 1 -18 -7  34 o 72.825  4.1801  651.435    73.555   623.106    101.603  682.633    106.623  70.765  5.9731  74.087  5.9822  -3.321999      8.453686 
1 1 1 -18 -7  35 o 58.364  4.3483  420.068    61.136   523.266    82.766   296.143    90.697   64.937  5.2990  47.913  8.0895  17.02415       9.670583 
1 1 1 -18 -7  36 o 16.868  6.7382  18.900     41.652   -24.3447   54.629   78.946     64.372   15.434  6.9465  25.617  8.6871  -10.18347      11.12295 
1 1 1 -18 -7  37 o 51.114  4.6753  324.457    57.343   330.935    76.676   316.235    86.377   51.155  6.3113  49.618  7.4009  1.536594       9.726509 
1 1 1 -18 -7  38 o 78.308  4.1933  756.189    79.387   692.685    110.124  824.898    114.547  74.238  6.1694  81.190  5.8539  -6.951683      8.504645 
1 1 1 -18 -7  39 o 52.497  5.5860  346.647    70.061   345.960    84.553   348.153    125.145  51.984  6.8719  50.497  10.554  1.486294       12.59366 
1 1 1 -18 -7  40 o 39.767  6.3178  203.049    58.922   163.990    69.963   298.349    109.282  35.033  8.3489  46.830  9.9258  -11.79670      12.97016 
1 1 1 -18 -7  41 o 12.817  5.6761  -10.0295   34.961   -15.1803   44.814   -2.0193    55.884   14.274  6.3678  17.030  7.3662  -2.756001      9.737051 
1 1 1 -18 -7  42 o 29.760  6.9526  116.751    49.299   71.539     72.852   154.945    66.960   25.072  9.1749  33.989  8.2111  -8.916924      12.31263 
1 1 1 -18 -7  43 o 77.554  4.3913  746.308    82.295   770.600    118.050  723.342    114.784  77.910  6.2986  75.453  6.3281  2.456467       8.928394 
1 1 1 -18 -7  44 o 11.415  5.4150  -46.6483   40.360   -56.4873   63.072   -39.8260   52.520   14.867  6.9645  14.017  6.4950  0.8501062      9.523085 
1 1 1 -18 -7  45 o 38.408  8.5255  199.975    77.379   273.537    170.426  180.873    86.846   42.461  14.134  36.088  9.7064  6.372280       17.14626 
1 1 1 -18 -7  46 o 37.144  8.8655  189.547    78.792   371.047    185.164  149.415    87.069   48.394  14.572  32.800  10.019  15.59452       17.68388 
1 1 1 -18 -7  47 o 54.353  5.0169  372.925    65.418   282.183    93.997   458.160    91.100   45.382  8.8542  59.601  6.3996  -14.21947      10.92479 
1 1 1 -18 -7  48 o 18.690  7.2277  33.001     46.606   11.388     68.419   51.711     63.660   19.370  8.2602  22.165  8.4792  -2.795019      11.83758 
1 1 1 -18 -7  49 o 19.874  7.3185  44.264     46.458   -4.4276    67.811   87.336     63.778   18.170  7.9819  25.693  8.6472  -7.522615      11.76796 
1 1 1 -18 -7  50 o 22.193  7.4338  63.465     47.132   46.025     68.482   79.161     64.966   21.867  8.6700  24.754  8.7126  -2.887329      12.29134 
1 1 1 -18 -7  51 o 38.445  6.6672  197.644    59.940   175.356    78.037   229.714    93.608   34.887  9.1174  39.586  9.7982  -4.698338      13.38401 
1 1 1 -18 -7  52 o 31.545  7.6900  138.871    58.326   83.720     79.570   202.912    85.745   25.555  9.5453  37.180  9.4765  -11.62565      13.45054 
1 1 1 -18 -7  53 o 21.113  7.8212  53.050     53.204   55.282     71.032   50.196     80.302   22.556  8.8658  22.808  9.2687  -0.2518139     12.82621 
1 1 1 -18 -7  54 o 29.377  8.8012  124.746    67.671   118.228    77.967   144.654    136.254  28.576  9.5611  31.275  12.283  -2.699800      15.56593 
1 1 1 -18 -7  55 o 32.685  8.8997  155.797    72.483   156.894    84.863   152.839    139.368  32.322  9.8940  31.804  12.443  0.5174675      15.89707 
1 1 1 -18 -7  56 o 25.214  8.0994  88.015     56.201   69.715     73.916   113.090    86.524   23.949  9.1426  28.194  10.041  -4.244938      13.57942 
1 1 1 -18 -7  57 o 23.257  7.9638  71.986     54.105   51.903     67.274   108.765    91.039   21.968  8.6302  27.882  10.248  -5.913624      13.39806 
1 1 1 -18 -7  58 o 24.870  10.761  44.264     119.349  -155.1983  309.928  78.992     129.322  28.415  13.853  27.171  11.461  1.244690       17.97977 
1 1 1 -18 -7  59 o 50.102  11.745  408.615    140.299  542.091    346.151  382.378    153.470  43.412  18.548  46.747  13.038  -3.334827      22.67173 
1 1 1 -18 -6  1  o 71.645  3.3649  624.337    58.495   559.498    84.189   684.852    81.333   67.509  5.1791  74.827  4.5006  -7.318268      6.861354 
1 1 1 -18 -6  2  o 184.563 5.0926  4156.40    228.058  3664.21    381.929  4429.14    284.308  171.954 9.1871  190.271 6.1582  -18.31682      11.06015 
1 1 1 -18 -6  3  o 317.950 6.7791  12387.00   522.991  11178.07   744.001  13567.88   735.316  300.156 10.216  331.421 9.1439  -31.26431      13.71015 
1 1 1 -18 -6  4  o 262.210 6.6643  8420.38    424.001  8139.93    524.788  8947.62    719.556  257.090 8.4127  268.092 11.062  -11.00235      13.89717 
1 1 1 -18 -6  5  o 54.085  6.0014  361.866    77.429   282.074    129.996  405.740    96.394   46.668  11.544  57.101  7.1114  -10.43308      13.55860 
1 1 1 -18 -6  6  o 48.341  6.4267  290.833    73.513   400.722    123.204  230.079    91.608   56.251  9.3554  42.389  9.1731  13.86203       13.10225 
1 1 1 -18 -6  7  o 146.592 4.6610  2618.80    165.789  2633.28    273.534  2610.39    208.439  146.228 7.7369  146.164 5.8772  0.6349182E-01  9.716025 
1 1 1 -18 -6  8  o 102.999 5.5407  1298.87    137.965  1298.87    137.965  0.0000     0.0000   102.999 5.5407  ?       ?       0.000000       5.540742 
1 1 1 -18 -6  9  o 5.6616  2.8689  -73.4293   20.130   -73.4293   20.130   0.0000     0.0000   5.6616  2.8689  ?       ?       0.000000       2.868926 
1 1 1 -18 -6  10 o 186.590 4.8019  4243.73    217.403  4916.14    311.081  3601.78    303.951  200.467 6.3954  171.372 7.3097  29.09488       9.712481 
1 1 1 -18 -6  11 o 32.462  6.8350  133.838    52.134   368.226    80.151   -38.0472   68.638   54.542  6.1646  17.053  7.7205  37.48906       9.879691 
1 1 1 -18 -6  12 o 49.438  4.6058  300.353    54.614   449.759    91.754   218.378    67.965   60.312  6.3661  41.676  6.9670  18.63605       9.437442 
1 1 1 -18 -6  13 o 32.499  12.987  71.291     154.809  194.685    213.178  -66.3862   225.179  42.776  15.688  32.271  14.343  10.50568       21.25669 
1 1 1 -18 -6  14 o 174.943 4.7887  3730.36    203.273  4276.58    292.003  3216.79    283.144  186.963 6.4368  161.979 7.2042  24.98360       9.660840 
1 1 1 -18 -6  15 o ?       ?       -121.2931  28.017   -162.1780  68.330   -113.0304  30.718   12.244  6.0714  6.9652  3.5310  5.279319       7.023567 
1 1 1 -18 -6  16 o 107.647 4.0322  1410.54    105.320  1428.32    155.123  1395.33    143.452  107.952 5.9451  106.763 5.5568  1.188759       8.137672 
1 1 1 -18 -6  17 o 145.841 4.3715  2590.64    154.696  2816.13    224.105  2385.40    213.804  151.776 6.0853  139.647 6.3099  12.12837       8.766170 
1 1 1 -18 -6  18 o 48.887  7.5706  300.056    86.899   418.495    128.015  198.842    118.341  57.474  9.5125  39.546  11.587  17.92725       14.99135 
1 1 1 -18 -6  19 o 56.577  6.7955  397.575    91.421   396.668    133.735  398.370    125.258  55.735  10.267  56.027  9.5568  -0.2916946     14.02673 
1 1 1 -18 -6  20 o 259.795 12.247  8451.11    771.981  0.0000     0.0000   8451.11    771.981  ?       ?       259.795 12.247  0.000000       12.24650 
1 1 1 -18 -6  21 o 298.323 9.1806  10995.26   664.541  0.0000     0.0000   10995.26   664.541  ?       ?       298.323 9.1806  0.000000       9.180600 
1 1 1 -18 -6  22 o 170.868 6.3229  3573.56    262.145  0.0000     0.0000   3573.56    262.145  ?       ?       170.868 6.3229  0.000000       6.322915 
1 1 1 -18 -6  23 o 73.401  4.3112  658.648    76.446   773.040    118.331  576.705    100.152  79.240  6.2040  68.391  6.0992  10.84857       8.700014 
1 1 1 -18 -6  24 o 89.990  3.9104  986.036    85.384   991.543    121.851  980.723    119.682  89.899  5.6142  89.417  5.5436  0.4814148      7.889897 
1 1 1 -18 -6  25 o 228.474 5.3697  6377.91    297.679  6451.25    423.497  6306.29    418.512  228.967 7.6228  226.382 7.6191  2.585449       10.77762 
1 1 1 -18 -6  26 o 84.251  5.8717  872.908    119.283  950.591    206.810  834.183    146.018  86.880  9.9924  82.020  7.4173  4.859352       12.44449 
1 1 1 -18 -6  27 o 40.277  8.3247  207.615    78.666   193.982    160.074  211.955    90.326   40.191  13.699  40.533  9.3715  -0.3413811     16.59743 
1 1 1 -18 -6  28 o 45.181  7.4233  257.903    78.552   68.377     164.165  314.182    89.458   32.792  13.278  49.924  7.6270  -17.13182      15.31306 
1 1 1 -18 -6  29 o 80.931  3.9470  798.549    77.508   819.196    109.759  778.010    109.468  81.586  5.5780  79.470  5.7152  2.115448       7.986028 
1 1 1 -18 -6  30 o 106.315 3.8748  1378.48    99.955   1500.05    142.199  1259.73    140.531  110.653 5.2962  101.158 5.7492  9.495193       7.816849 
1 1 1 -18 -6  31 o 100.680 3.9553  1237.24    96.624   1156.67    137.287  1316.31    136.015  96.825  5.8713  103.432 5.4387  -6.606560      8.003216 
1 1 1 -18 -6  32 o 67.557  3.9608  559.325    64.641   473.052    91.747   644.366    91.090   61.633  6.2201  72.270  5.2299  -10.63726      8.126568 
1 1 1 -18 -6  33 o 137.515 4.2048  2313.81    140.301  2429.89    200.010  2201.37    196.858  140.359 5.8728  133.519 6.0764  6.839890       8.450621 
1 1 1 -18 -6  34 o 83.170  3.8967  846.057    78.637   799.820    111.301  892.143    111.119  80.290  5.7512  84.921  5.4210  -4.631088      7.903454 
1 1 1 -18 -6  35 o 87.249  3.9313  932.059    83.227   964.134    118.594  900.934    116.826  88.166  5.5723  85.178  5.6853  2.988434       7.960714 
1 1 1 -18 -6  36 o 44.605  4.7995  247.739    51.127   331.433    71.756   161.436    72.866   51.378  5.8608  34.962  8.6393  16.41542       10.43966 
1 1 1 -18 -6  37 o 21.841  6.7888  59.772     39.781   134.903    55.557   -19.2766   56.987   32.133  7.2927  16.108  7.1836  16.02483       10.23661 
1 1 1 -18 -6  38 f 48.607  4.6074  293.905    53.690   265.807    75.246   323.048    76.632   45.453  7.0512  50.428  6.4076  -4.974834      9.527642 
1 1 1 -18 -6  39 o 32.951  7.0483  142.041    54.648   143.376    64.404   138.609    103.272  32.846  8.1258  32.627  11.003  0.2181931      13.67858 
1 1 1 -18 -6  40 o 60.252  5.3783  455.267    77.802   396.050    94.375   580.885    137.454  55.457  7.1822  66.485  8.7318  -11.02784      11.30610 
1 1 1 -18 -6  41 o 46.048  4.7440  265.359    52.246   329.471    73.632   200.354    74.144   50.898  6.0826  38.798  8.1359  12.10065       10.15833 
1 1 1 -18 -6  42 o 78.304  4.3072  759.725    81.522   816.077    116.071  704.868    114.523  80.396  5.9932  74.484  6.3988  5.912460       8.767168 
1 1 1 -18 -6  43 o 37.181  6.2533  178.605    54.413   119.440    82.078   224.996    72.680   30.047  9.7997  41.337  7.5235  -11.29001      12.35462 
1 1 1 -18 -6  44 o 58.668  4.8786  430.991    68.818   471.032    98.004   392.043    96.658   60.501  6.7934  54.816  7.4611  5.685936       10.09044 
1 1 1 -18 -6  45 o 60.309  6.9306  470.449    99.576   245.565    208.795  536.655    113.289  40.765  15.413  64.182  7.4109  -23.41681      17.10202 
1 1 1 -18 -6  46 f 53.614  7.3892  377.419    93.571   139.124    204.388  440.607    105.249  35.180  14.592  57.812  7.6941  -22.63185      16.49621 
1 1 1 -18 -6  47 o 52.633  5.0124  350.079    63.239   340.674    91.811   358.569    87.233   50.587  7.7248  52.290  7.0555  -1.703869      10.46198 
1 1 1 -18 -6  48 o 26.597  7.6258  95.696     51.761   129.840    72.908   60.998     73.497   30.523  9.1334  23.717  9.1017  6.806326       12.89412 
1 1 1 -18 -6  49 o 26.175  7.5039  93.052     50.121   78.263     72.625   106.502    69.259   25.106  9.1646  27.852  8.9959  -2.746490      12.84202 
1 1 1 -18 -6  50 o 21.879  7.4943  60.827     47.913   60.833     69.698   60.822     65.975   23.218  8.8745  22.968  8.6688  0.2499294      12.40585 
1 1 1 -18 -6  51 o 27.378  7.9834  104.346    56.300   94.494     75.149   116.950    84.998   26.481  9.3651  28.797  9.9755  -2.315966      13.68266 
1 1 1 -18 -6  52 o 19.794  7.9039  35.938     57.286   45.196     76.615   24.199     86.270   22.221  9.0445  21.599  9.2445  0.6228390      12.93301 
1 1 1 -18 -6  53 o 32.134  8.6323  148.950    68.738   105.218    77.522   309.792    148.671  27.346  9.5236  42.552  13.107  -15.20613      16.20187 
1 1 1 -18 -6  54 f 42.644  7.5066  250.519    74.836   201.070    88.661   373.040    139.559  36.619  9.7896  48.107  11.997  -11.48711      15.48423 
1 1 1 -18 -6  55 o 47.986  6.0791  303.722    69.195   310.704    93.580   295.299    102.778  46.821  8.5523  44.657  9.7579  2.164104       12.97535 
1 1 1 -18 -6  56 o 44.937  6.2806  267.989    66.609   319.442    87.675   197.749    102.438  48.098  7.7780  35.665  10.861  12.43327       13.35884 
1 1 1 -18 -6  57 o 26.530  11.102  72.959     119.801  -50.3675   308.725  94.823     129.987  30.334  14.550  28.187  11.660  2.146935       18.64564 
1 1 1 -18 -6  58 o 21.573  9.8709  -22.6252   116.001  135.740    306.608  -49.0803   125.316  33.594  15.610  21.335  9.9357  12.25952       18.50413 
1 1 1 -18 -6  59 o 14.782  7.3644  -221.1875  105.427  70.686     298.571  -262.7629  112.686  31.362  14.833  14.737  7.3829  16.62477       16.56915 
1 1 1 -18 -5  1  o 153.327 4.1655  2863.05    154.970  2836.93    221.208  2888.23    217.169  152.317 5.9854  153.720 5.8224  -1.403397      8.350156 
1 1 1 -18 -5  2  o 69.738  3.4452  591.535    58.298   584.764    83.120   598.091    81.788   69.063  4.9938  69.869  4.8545  -0.8060226     6.964452 
1 1 1 -18 -5  3  o 129.325 3.9435  2035.77    123.746  1850.54    175.406  2219.32    174.605  123.055 5.8746  134.846 5.3365  -11.79026      7.936582 
1 1 1 -18 -5  4  o 303.967 9.5853  11424.62   706.958  10909.89   1031.87  11879.98   970.531  293.511 14.489  307.539 13.006  -14.02853      19.47011 
1 1 1 -18 -5  5  o 187.406 6.8497  4302.21    311.472  4055.06    469.810  4496.04    416.050  180.370 10.784  190.924 8.9809  -10.55368      14.03413 
1 1 1 -18 -5  6  o 20.827  8.0016  35.832     56.843   75.508     96.345   14.646     70.402   28.135  10.504  20.717  8.5762  7.417593       13.56078 
1 1 1 -18 -5  7  o 25.689  5.6674  83.718     34.378   83.718     34.378   0.0000     0.0000   25.689  5.6674  ?       ?       0.000000       5.667401 
1 1 1 -18 -5  8  o 56.940  5.5492  399.474    75.694   399.474    75.694   0.0000     0.0000   56.940  5.5492  ?       ?       0.000000       5.549230 
1 1 1 -18 -5  9  o 56.887  6.9926  402.254    94.488   224.989    118.357  713.762    156.898  41.831  11.365  75.652  8.7062  -33.82128      14.31665 
1 1 1 -18 -5  10 o 252.377 6.7445  7798.03    413.013  6623.89    700.315  8424.20    511.419  229.707 12.613  261.811 8.0505  -32.10413      14.96331 
1 1 1 -18 -5  11 o 100.045 4.9057  1220.17    119.087  1480.04    207.223  1092.02    145.516  109.505 7.8511  94.276  6.3992  15.22934       10.12869 
1 1 1 -18 -5  12 o 92.116  3.9055  1032.60    87.292   1333.99    131.871  797.536    116.460  104.577 5.1970  80.570  6.0001  24.00658       7.937886 
1 1 1 -18 -5  13 o 202.991 5.0711  5024.90    249.772  5759.16    356.194  4314.57    350.341  216.881 6.7686  187.469 7.7019  29.41293       10.25347 
1 1 1 -18 -5  14 o 40.984  5.0807  207.924    49.441   409.929    79.778   81.963     62.997   57.651  5.7809  26.279  8.5861  31.37249       10.35085 
1 1 1 -18 -5  15 o 51.427  4.5522  324.693    56.217   477.823    87.956   218.933    73.096   62.267  5.8916  41.625  7.5138  20.64219       9.548180 
1 1 1 -18 -5  16 o 15.045  6.4259  -1.1476    41.526   46.761     74.466   -22.7705   50.027   23.776  9.1523  14.912  6.6847  8.864221       11.33358 
1 1 1 -18 -5  17 o 14.448  6.2258  -3.8487    39.617   -27.5819   74.360   5.5580     46.815   18.488  8.2284  16.556  6.9348  1.932175       10.76092 
1 1 1 -18 -5  18 o 191.358 6.9746  4487.20    323.839  5090.15    439.810  3773.19    478.600  203.166 8.9218  173.682 11.420  29.48416       14.49220 
1 1 1 -18 -5  19 o 294.083 13.476  10891.15   961.594  0.0000     0.0000   10891.15   961.594  ?       ?       294.083 13.476  0.000000       13.47590 
1 1 1 -18 -5  20 o 131.650 8.8764  2147.03    281.889  0.0000     0.0000   2147.03    281.889  ?       ?       131.650 8.8764  0.000000       8.876390 
1 1 1 -18 -5  21 o 62.700  5.6923  484.147    85.656   0.0000     0.0000   484.147    85.656   ?       ?       62.700  5.6923  0.000000       5.692311 
1 1 1 -18 -5  22 o 150.561 4.4608  2762.29    162.965  3027.80    233.413  2509.78    227.630  157.328 6.1144  143.152 6.5534  14.17667       8.962907 
1 1 1 -18 -5  23 o 115.844 3.9839  1634.00    111.983  1621.51    159.040  1646.28    157.703  115.185 5.6905  116.075 5.5993  -0.8900909     7.983334 
1 1 1 -18 -5  24 o 150.954 4.2846  2776.51    156.936  2719.35    223.024  2832.57    220.874  149.048 6.1668  152.159 5.9825  -3.110962      8.591855 
1 1 1 -18 -5  25 o 155.261 4.4453  2938.76    167.468  3006.57    238.563  2872.88    235.144  156.666 6.2757  153.131 6.3286  3.535400       8.912697 
1 1 1 -18 -5  26 o 31.871  9.0334  129.148    73.056   342.316    145.238  56.944     84.528   51.214  11.912  25.551  9.7715  25.66248       15.40743 
1 1 1 -18 -5  27 o 101.746 5.8879  1272.02    144.739  1174.09    249.778  1321.53    177.595  96.268  10.884  103.415 7.1209  -7.147743      13.00688 
1 1 1 -18 -5  28 o 104.607 5.8848  1345.26    148.760  1427.10    256.281  1303.67    182.687  106.454 10.040  102.584 7.3889  3.869720       12.46621 
1 1 1 -18 -5  29 o 44.349  4.8369  243.200    51.206   148.608    72.270   338.563    72.563   33.949  8.7257  52.229  5.8251  -18.27984      10.49138 
1 1 1 -18 -5  30 o 8.0428  4.0094  -82.0172   31.454   -84.8163   42.027   -78.4525   47.427   10.132  4.9734  11.419  5.5329  -1.287221      7.439609 
1 1 1 -18 -5  31 o 79.241  3.8611  766.295    74.239   757.735    105.608  774.658    104.382  78.354  5.5915  79.259  5.4610  -0.9048538     7.815876 
1 1 1 -18 -5  32 o 73.184  3.9658  656.187    70.160   690.202    100.544  623.905    97.950   74.712  5.5867  70.976  5.7367  3.736069       8.007562 
1 1 1 -18 -5  33 o 46.470  4.6090  267.242    51.283   368.917    73.144   168.934    71.922   54.446  5.6174  36.009  8.3877  18.43690       10.09500 
1 1 1 -18 -5  34 o 23.777  7.5692  69.810     49.168   97.709     57.363   -7.4467    95.456   27.596  8.0617  22.038  9.5796  5.558340       12.52034 
1 1 1 -18 -5  35 o 90.595  3.9520  1005.26    86.874   1076.76    124.334  937.057    121.435  93.188  5.5234  86.815  5.7982  6.373535       8.007899 
1 1 1 -18 -5  36 o 51.261  4.4494  325.381    54.792   399.785    76.182   245.647    78.864   56.541  5.6278  43.545  7.7481  12.99635       9.576270 
1 1 1 -18 -5  37 o 35.466  5.5162  159.455    45.927   226.809    62.781   81.911     67.362   42.193  6.3274  26.012  8.8862  16.18141       10.90870 
1 1 1 -18 -5  38 o 55.057  5.7534  381.289    75.724   424.396    92.524   293.839    131.784  57.755  6.7285  45.873  11.779  11.88251       13.56522 
1 1 1 -18 -5  39 o 27.551  7.5078  99.785     51.559   123.864    60.191   33.433     99.918   30.556  8.0179  24.543  10.193  6.012693       12.96871 
1 1 1 -18 -5  40 o 14.113  6.2165  -9.2899    41.380   -5.1328    47.148   -23.2292   86.335   15.443  6.7228  19.785  8.8313  -4.341249      11.09901 
1 1 1 -18 -5  41 o 45.678  5.4237  263.607    58.938   359.999    86.728   180.893    80.340   52.880  6.9259  36.506  9.1015  16.37356       11.43699 
1 1 1 -18 -5  42 o 28.368  7.3233  106.609    50.753   139.670    75.264   79.037     68.731   32.121  9.1914  25.539  8.9633  6.581791       12.83836 
1 1 1 -18 -5  43 o 25.097  7.5273  82.274     49.478   56.644     73.580   103.429    66.849   23.735  9.1072  28.021  8.8154  -4.286211      12.67487 
1 1 1 -18 -5  44 o 23.030  8.7415  55.000     67.328   250.145    156.829  10.907     74.547   41.096  13.553  20.274  8.6332  20.82233       16.06909 
1 1 1 -18 -5  45 o 58.375  7.2854  444.283    100.945  477.211    208.913  434.253    115.298  54.641  15.202  56.951  8.6127  -2.310024      17.47237 
1 1 1 -18 -5  46 o 27.715  7.6970  103.308    53.605   94.548     73.489   113.269    78.364   27.049  9.2809  29.061  9.5801  -2.012268      13.33848 
1 1 1 -18 -5  47 o 40.824  5.8645  215.269    56.423   213.113    81.722   217.232    77.996   39.253  8.7979  39.876  8.3298  -0.6224480     12.11566 
1 1 1 -18 -5  48 o 37.454  6.5504  185.196    57.361   172.092    84.318   196.486    78.263   34.721  9.6571  37.536  8.7538  -2.815250      13.03408 
1 1 1 -18 -5  49 o 39.828  6.1501  207.858    57.519   300.470    81.275   114.930    81.414   47.380  7.3044  28.837  9.7696  18.54322       12.19835 
1 1 1 -18 -5  50 o 24.119  9.8308  54.275     90.682   -34.2076   103.130  355.845    190.393  20.389  9.3208  44.705  14.941  -24.31637      17.61001 
1 1 1 -18 -5  51 o 15.575  7.0473  -20.5761   57.102   4.7089     74.087   -57.5765   89.622   19.269  8.4068  17.905  8.3600  1.363955       11.85597 
1 1 1 -18 -5  52 o 23.160  8.2411  69.090     58.278   6.1772     73.959   172.135    94.653   19.277  8.4051  33.659  10.473  -14.38236      13.42903 
1 1 1 -18 -5  53 o 32.543  10.089  159.451    87.926   159.451    87.926   0.0000     0.0000   32.543  10.089  ?       ?       0.000000       10.08925 
1 1 1 -18 -5  54 o 29.458  8.9053  125.571    69.053   116.221    78.970   155.943    142.329  28.405  9.6218  32.084  12.568  -3.678635      15.82851 
1 1 1 -18 -5  55 o 19.932  7.7760  40.736     54.311   93.297     67.058   -59.4767   92.593   25.972  8.8662  18.055  8.4518  7.916960       12.24918 
1 1 1 -18 -5  56 o 62.680  5.1852  504.992    78.152   500.053    105.403  511.023    116.471  60.765  7.2946  60.724  8.1074  0.4191589E-01  10.90602 
1 1 1 -18 -5  57 o 21.781  9.9592  -23.4504   117.820  588.463    307.379  -128.8372  127.562  48.464  18.610  19.181  9.2390  29.28276       20.77709 
1 1 1 -18 -5  58 f 50.785  11.612  414.123    139.971  188.343    341.272  459.785    153.473  34.876  16.294  52.903  12.205  -18.02698      20.35765 
1 1 1 -18 -5  59 o 32.873  12.108  182.408    127.160  536.524    329.588  120.478    137.831  42.835  18.194  29.092  12.018  13.74270       21.80527 
1 1 1 -18 -4  1  o 222.358 5.1731  6032.99    279.108  5954.35    396.504  6110.22    392.957  220.240 7.4197  223.160 7.2571  -2.920700      10.37873 
1 1 1 -18 -4  2  o 302.448 6.5138  11197.07   478.027  10477.39   678.278  11907.30   673.808  291.056 9.6043  310.679 8.9384  -19.62296      13.12015 
1 1 1 -18 -4  3  o 220.949 7.6970  5995.58    412.645  5310.69    613.490  6561.43    557.637  205.654 12.352  230.188 9.9840  -24.53348      15.88214 
1 1 1 -18 -4  4  o 168.683 6.5152  3482.12    266.661  3325.17    404.992  3602.24    354.302  163.496 10.261  171.039 8.5372  -7.543060      13.34799 
1 1 1 -18 -4  5  o 164.072 6.4254  3293.32    255.801  2987.80    390.125  3523.73    338.797  154.897 10.441  169.259 8.2494  -14.36247      13.30659 
1 1 1 -18 -4  6  o 61.429  5.3531  463.889    78.992   463.889    78.992   0.0000     0.0000   61.429  5.3531  ?       ?       0.000000       5.353119 
1 1 1 -18 -4  7  o 60.602  5.4165  451.681    78.807   451.681    78.807   0.0000     0.0000   60.602  5.4165  ?       ?       0.000000       5.416497 
1 1 1 -18 -4  8  o 166.657 5.8562  3392.70    236.814  3392.70    236.814  0.0000     0.0000   166.657 5.8562  ?       ?       0.000000       5.856248 
1 1 1 -18 -4  9  o 70.697  4.6045  611.472    78.555   759.000    101.127  387.007    124.740  78.696  5.3274  55.206  9.6644  23.49081       11.03547 
1 1 1 -18 -4  10 o 197.928 5.6285  4782.70    270.309  5279.63    339.224  3918.31    447.396  207.676 6.7319  177.517 10.433  30.15965       12.41620 
1 1 1 -18 -4  11 o 203.282 5.0233  5038.51    247.774  5716.52    354.668  4392.15    346.293  216.089 6.7643  189.204 7.5431  26.88550       10.13184 
1 1 1 -18 -4  12 f 184.578 4.7752  4152.00    213.861  4692.38    306.936  3642.14    298.146  195.855 6.4587  172.397 7.1275  23.45892       9.618539 
1 1 1 -18 -4  13 f 76.613  4.0841  716.471    75.647   1219.31    116.830  353.473    99.265   100.021 4.8139  53.081  7.9520  46.93991       9.295588 
1 1 1 -18 -4  14 o 134.247 4.1546  2194.00    135.331  2702.74    195.685  1727.62    187.359  148.821 5.4191  118.652 6.5330  30.16961       8.488064 
1 1 1 -18 -4  15 o 28.621  6.6228  104.230    45.080   203.290    77.324   53.223     55.486   39.949  8.2502  22.500  8.0375  17.44892       11.51816 
1 1 1 -18 -4  16 o 62.865  4.1441  483.194    62.858   547.701    97.189   436.806    82.417   66.672  6.0743  59.529  5.7787  7.143517       8.383988 
1 1 1 -18 -4  17 f 167.039 6.3481  3412.87    257.294  3489.48    346.809  3319.09    383.723  168.148 8.5282  163.568 9.7120  4.580170       12.92489 
1 1 1 -18 -4  18 o 163.536 9.4518  3314.58    373.453  0.0000     0.0000   3314.58    373.453  ?       ?       163.536 9.4518  0.000000       9.451755 
1 1 1 -18 -4  19 o 208.618 10.702  5418.98    539.893  0.0000     0.0000   5418.98    539.893  ?       ?       208.618 10.702  0.000000       10.70180 
1 1 1 -18 -4  20 o 286.898 8.9598  10155.45   623.717  0.0000     0.0000   10155.45   623.717  ?       ?       286.898 8.9598  0.000000       8.959760 
1 1 1 -18 -4  21 o 215.506 5.3044  5668.66    277.370  6286.89    395.250  5068.79    389.337  226.381 7.1956  203.039 7.9028  23.34172       10.68791 
1 1 1 -18 -4  22 o 28.845  6.7273  106.002    46.220   24.514     79.030   148.364    56.981   22.498  9.1747  34.161  7.1059  -11.66293      11.60473 
1 1 1 -18 -4  23 o 60.667  4.2489  450.525    62.150   474.550    88.326   426.966    87.466   62.016  5.9426  58.743  6.2316  3.272392       8.610859 
1 1 1 -18 -4  24 o 61.441  4.1675  461.955    61.762   506.116    87.428   417.962    87.261   64.099  5.6801  58.093  6.2911  6.005619       8.475894 
1 1 1 -18 -4  25 o 70.268  6.2164  609.344    104.897  662.580    188.446  585.444    126.267  72.040  11.140  68.548  7.7263  3.492165       13.55727 
1 1 1 -18 -4  26 o 162.158 6.5195  3225.57    256.520  3179.74    400.987  3257.32    333.746  159.335 10.429  162.118 8.5142  -2.783722      13.46343 
1 1 1 -18 -4  27 o 142.257 6.1959  2481.41    213.867  2642.18    346.064  2382.06    272.034  145.308 9.8739  138.631 8.1227  6.677032       12.78562 
1 1 1 -18 -4  28 o 87.590  3.9116  935.058    83.133   986.599    118.411  884.958    116.744  89.614  5.4719  84.807  5.7065  4.806564       7.906074 
1 1 1 -18 -4  29 o 32.916  5.9451  136.936    45.735   159.858    65.505   115.134    63.884   35.274  7.8550  30.030  8.4249  5.244509       11.51872 
1 1 1 -18 -4  30 o 39.539  5.3176  194.953    49.722   192.983    70.366   196.917    70.269   38.809  7.7439  39.229  7.6571  -0.4207993     10.89031 
1 1 1 -18 -4  31 o 84.493  3.9518  871.645    81.018   860.700    115.213  882.352    113.951  83.484  5.7222  84.567  5.5848  -1.083122      7.995844 
1 1 1 -18 -4  32 o 64.447  4.1884  510.006    65.141   520.597    92.375   499.530    91.873   64.727  5.9483  63.367  6.0487  1.359543       8.483490 
1 1 1 -18 -4  33 o 39.030  6.1391  192.631    56.219   146.529    65.153   327.006    111.233  33.551  8.0961  50.046  9.5077  -16.49535      12.48775 
1 1 1 -18 -4  34 o 26.696  7.3304  91.940     48.933   71.557     56.335   154.578    98.757   24.381  8.1268  34.472  10.693  -10.09068      13.43114 
1 1 1 -18 -4  35 o 88.433  3.9274  957.990    84.271   925.234    119.880  989.989    118.485  86.251  5.7614  89.328  5.4932  -3.077751      7.960418 
1 1 1 -18 -4  36 o 73.256  4.0172  660.265    71.133   733.540    100.971  588.065    100.228  76.786  5.4549  68.494  6.0944  8.292664       8.179100 
1 1 1 -18 -4  37 o 66.447  4.1036  544.490    65.837   562.909    93.094   526.062    93.120   67.041  5.7794  64.716  5.9983  2.325005       8.329541 
1 1 1 -18 -4  38 o 25.622  7.6426  84.899     51.111   113.812    59.510   3.6036     99.786   29.366  8.0923  22.824  9.8576  6.542593       12.75376 
1 1 1 -18 -4  39 o 21.219  7.6768  49.547     50.795   76.463     59.714   -20.9208   96.618   24.884  8.3672  21.124  9.3915  3.760939       12.57820 
1 1 1 -18 -4  40 o 68.131  4.2035  574.490    69.150   665.065    97.797   483.929    97.790   72.796  5.5792  61.588  6.6494  11.20795       8.679991 
1 1 1 -18 -4  41 o 28.702  7.4026  109.113    51.890   162.731    80.872   71.592     67.651   34.564  9.3962  24.753  8.8715  9.810602       12.92255 
1 1 1 -18 -4  42 o 63.995  4.6466  510.131    71.659   553.485    105.948  473.575    97.288   65.764  6.7346  60.800  6.7063  4.964050       9.504115 
1 1 1 -18 -4  43 o 14.140  6.3080  -14.5739   43.979   -28.0293   67.953   -4.8751    57.692   17.057  7.7056  17.037  7.4262  0.1924324E-01  10.70159 
1 1 1 -18 -4  44 o 33.296  9.4592  152.463    80.009   278.231    180.694  121.791    89.234   42.746  14.554  30.324  10.228  12.42227       17.78880 
1 1 1 -18 -4  45 o 21.558  8.3475  44.708     62.227   -192.3248  169.028  81.871     66.928   22.079  10.635  25.552  8.8518  -3.473312      13.83664 
1 1 1 -18 -4  46 o 55.289  4.9204  385.109    65.319   385.609    97.478   384.701    87.999   53.968  7.6589  54.362  6.8216  -0.3940239     10.25638 
1 1 1 -18 -4  47 o 17.403  7.0987  19.367     47.324   80.453     72.621   -25.7189   62.390   25.476  9.1850  16.226  7.3520  9.250509       11.76500 
1 1 1 -18 -4  48 o 33.414  6.8582  149.483    53.741   197.449    79.712   109.513    72.765   37.509  8.8935  28.264  9.2274  9.244942       12.81564 
1 1 1 -18 -4  49 o 56.275  4.9362  402.182    66.720   392.643    95.171   411.401    93.564   54.123  7.4440  55.654  7.0897  -1.530319      10.27991 
1 1 1 -18 -4  50 o 15.223  6.9716  -29.5232   58.041   -2.1047    73.653   -74.4475   94.278   18.861  8.3011  17.830  8.4033  1.030788       11.81202 
1 1 1 -18 -4  51 o 21.985  8.1785  57.463     58.298   41.569     74.205   83.090     94.228   21.792  8.8889  26.181  10.235  -4.389353      13.55573 
1 1 1 -18 -4  52 o 35.588  7.7990  177.031    65.485   163.320    83.382   199.100    105.787  33.129  9.7314  35.723  11.065  -2.594097      14.73563 
1 1 1 -18 -4  53 o 28.839  10.012  120.219    85.645   120.219    85.645   0.0000     0.0000   28.839  10.012  ?       ?       0.000000       10.01207 
1 1 1 -18 -4  54 o 16.302  7.3552  -18.0085   61.685   -25.5553   67.942   17.396     147.160  16.699  7.6073  25.509  11.448  -8.810139      13.74501 
1 1 1 -18 -4  55 o 25.661  8.2665  91.384     58.512   65.430     73.849   135.153    95.902   23.608  9.1069  30.255  10.589  -6.646757      13.96686 
1 1 1 -18 -4  56 o 50.599  5.7937  334.850    69.849   299.463    92.308   382.258    106.842  45.925  8.5998  51.834  8.8102  -5.909416      12.31169 
1 1 1 -18 -4  57 o 42.637  11.803  296.052    126.265  771.073    329.402  214.234    136.707  54.515  19.572  35.698  12.631  18.81715       23.29360 
1 1 1 -18 -4  58 o 37.503  12.334  241.256    129.915  421.187    331.483  208.603    141.212  40.220  17.658  34.770  12.766  5.450333       21.78966 
1 1 1 -18 -3  1  o 52.908  3.7274  342.278    47.545   349.606    67.669   335.133    66.816   53.264  5.3065  52.131  5.3585  1.133041       7.541428 
1 1 1 -18 -3  2  o 79.638  5.4893  777.847    105.425  691.279    181.121  822.206    129.652  73.995  10.373  81.697  6.5967  -7.702179      12.29292 
1 1 1 -18 -3  3  o 135.343 5.8645  2237.95    192.589  2122.14    300.144  2319.00    251.096  130.721 9.5284  137.253 7.5690  -6.531006      12.16881 
1 1 1 -18 -3  4  o 146.023 6.1554  2606.70    218.093  2439.44    333.353  2731.86    288.374  140.100 9.8693  148.888 8.0118  -8.787979      12.71192 
1 1 1 -18 -3  5  o 139.592 5.9053  2380.58    200.015  2380.58    200.015  0.0000     0.0000   139.592 5.9053  ?       ?       0.000000       5.905250 
1 1 1 -18 -3  6  o 188.070 6.2966  4325.08    287.335  4325.08    287.335  0.0000     0.0000   188.070 6.2966  ?       ?       0.000000       6.296561 
1 1 1 -18 -3  7  o 148.267 5.8074  2684.85    208.926  2684.85    208.926  0.0000     0.0000   148.267 5.8074  ?       ?       0.000000       5.807431 
1 1 1 -18 -3  8  o 159.036 4.4349  3080.42    171.135  2975.31    243.243  3183.44    240.819  155.967 6.4275  161.385 6.1498  -5.418091      8.895717 
1 1 1 -18 -3  9  o 220.798 8.9707  6008.55    480.603  7570.93    585.621  2785.63    841.099  247.497 9.7517  141.328 25.464  106.1693       27.26769 
1 1 1 -18 -3  10 o 240.887 5.6339  7083.85    329.296  7811.70    469.033  6376.35    462.427  252.294 7.6618  227.688 8.3703  24.60600       11.34746 
1 1 1 -18 -3  11 o 244.605 5.6849  7305.06    337.405  8284.43    481.101  6357.11    473.320  259.827 7.6311  227.264 8.5834  32.56339       11.48517 
1 1 1 -18 -3  12 o 112.550 4.0469  1541.80    110.517  1778.12    164.167  1345.94    149.456  120.690 5.6060  104.806 5.9011  15.88428       8.139425 
1 1 1 -18 -3  13 o 169.739 4.5565  3509.75    187.663  3886.30    270.548  3160.59    260.525  178.290 6.2540  160.697 6.6816  17.59326       9.151794 
1 1 1 -18 -3  14 o 142.782 4.2538  2482.22    147.373  2968.26    213.776  2042.02    203.443  155.923 5.6505  129.033 6.5191  26.89084       8.627066 
1 1 1 -18 -3  15 o 178.637 4.6306  3888.06    200.710  4589.02    288.491  3230.49    279.420  193.761 6.1362  162.367 7.0924  31.39450       9.378490 
1 1 1 -18 -3  16 f 141.298 6.0113  2439.76    206.095  2619.80    276.885  2216.10    308.616  145.844 7.8532  133.601 9.5838  12.24275       12.39044 
1 1 1 -18 -3  17 o 145.865 6.0654  2600.55    214.671  2795.95    288.913  2359.69    320.759  150.650 7.9317  137.850 9.6507  12.80048       12.49188 
1 1 1 -18 -3  18 o 128.317 8.8321  2038.62    273.312  0.0000     0.0000   2038.62    273.312  ?       ?       128.317 8.8321  0.000000       8.832078 
1 1 1 -18 -3  19 o 65.655  9.3715  542.573    145.056  0.0000     0.0000   542.573    145.056  ?       ?       65.655  9.3715  0.000000       9.371482 
1 1 1 -18 -3  20 o 55.753  5.3071  382.728    70.928   483.937    156.789  356.687    79.531   61.540  10.899  53.652  6.2249  7.888443       12.55141 
1 1 1 -18 -3  21 o 87.510  4.0502  932.361    86.000   1055.15    127.402  829.574    116.564  92.765  5.6876  82.179  5.8847  10.58579       8.184055 
1 1 1 -18 -3  22 o 26.828  6.4365  91.625     41.362   86.552     57.721   96.980     59.301   26.518  8.1669  27.842  8.2148  -1.324594      11.58361 
1 1 1 -18 -3  23 o 63.667  4.0985  495.688    62.978   518.955    90.894   474.204    87.340   64.895  5.8349  62.004  5.8755  2.890888       8.280529 
1 1 1 -18 -3  24 o 59.437  4.2181  432.557    60.439   487.724    87.541   382.310    83.545   62.892  5.8020  55.525  6.3133  7.366718       8.574431 
1 1 1 -18 -3  25 o 174.456 6.6630  3733.36    282.046  3873.30    436.976  3633.42    369.265  176.096 10.271  171.144 8.9232  4.952103       13.60609 
1 1 1 -18 -3  26 o 200.692 7.0980  4951.67    345.644  5406.68    527.370  4609.02    457.641  207.855 10.491  192.226 9.8448  15.62825       14.38650 
1 1 1 -18 -3  27 o 85.791  5.8599  905.693    121.253  1131.85    215.394  800.775    146.707  94.953  9.4755  80.240  7.6269  14.71230       12.16365 
1 1 1 -18 -3  28 o 13.972  6.1347  -9.9870    40.016   34.236     55.719   -57.0890   57.505   20.471  7.9066  14.210  6.6546  6.261132       10.33434 
1 1 1 -18 -3  29 o 98.073  3.9354  1173.03    93.648   1176.36    132.870  1169.75    132.011  97.789  5.6235  97.518  5.6026  0.2708435      7.938045 
1 1 1 -18 -3  30 o 11.947  5.3946  -17.5928   33.262   3.2640     45.115   -42.4323   49.234   16.004  6.7610  13.496  6.2660  2.507772       9.218159 
1 1 1 -18 -3  31 o 81.619  3.9925  813.633    79.068   735.700    112.337  890.145    111.308  77.050  6.0576  84.963  5.4276  -7.913139      8.133442 
1 1 1 -18 -3  32 o 70.197  4.0551  604.435    68.776   620.823    96.875   587.781    97.658   70.777  5.6891  68.798  5.9074  1.978386       8.201381 
1 1 1 -18 -3  33 o 27.520  7.2438  97.815     49.031   85.577     56.237   136.601    100.115  26.088  8.0656  32.956  10.827  -6.868170      13.50077 
1 1 1 -18 -3  34 f 80.029  3.9405  784.115    76.518   733.184    109.262  833.135    107.193  76.740  5.9135  81.994  5.4185  -5.253731      8.020537 
1 1 1 -18 -3  35 o 40.137  5.0587  201.667    48.172   170.153    66.104   237.354    70.344   36.105  7.7754  43.058  6.9714  -6.952923      10.44305 
1 1 1 -18 -3  36 o 94.019  3.9999  1084.73    91.248   1124.99    129.945  1045.57    128.163  95.053  5.6598  91.567  5.7984  3.486221       8.102751 
1 1 1 -18 -3  37 o 41.818  6.4398  223.577    63.246   215.397    75.098   243.533    117.298  40.539  7.9187  42.006  11.273  -1.466957      13.77641 
1 1 1 -18 -3  38 o 27.740  7.8892  100.999    55.624   98.572     65.933   106.992    103.599  27.653  8.7612  30.054  10.950  -2.400305      14.02330 
1 1 1 -18 -3  39 o 46.306  6.2867  273.707    68.808   247.134    82.589   334.006    124.413  43.252  8.1690  49.210  10.723  -5.958149      13.47988 
1 1 1 -18 -3  40 o 30.207  6.0562  118.261    42.844   82.125     59.703   156.629    61.519   25.475  8.3603  34.402  7.5748  -8.927507      11.28152 
1 1 1 -18 -3  41 o 35.041  6.3105  158.959    51.681   140.397    78.580   173.109    68.608   32.211  9.4428  36.010  8.0538  -3.798859      12.41092 
1 1 1 -18 -3  42 o 43.298  5.4988  237.807    56.467   181.815    85.330   281.429    75.317   36.391  9.5453  46.634  6.8613  -10.24330      11.75542 
1 1 1 -18 -3  43 f 312.194 10.030  13098.70   759.752  15706.56   1135.07  10981.98   1022.61  325.609 14.367  266.910 15.861  58.69888       21.40067 
1 1 1 -18 -3  44 o 13.034  6.1457  -51.6031   50.534   -73.3459   159.232  -49.1680   53.288   24.610  11.370  13.629  6.3901  10.98086       13.04299 
1 1 1 -18 -3  45 f 50.141  7.4395  331.080    87.765   366.490    200.760  322.714    97.583   47.480  15.314  48.911  8.5328  -1.431122      17.53082 
1 1 1 -18 -3  46 f 70.299  4.5583  618.448    77.333   659.796    111.674  580.352    107.194  71.518  6.5065  66.930  6.6902  4.587875       9.332412 
1 1 1 -18 -3  47 o 59.993  4.7056  453.062    67.948   472.596    99.627   436.073    92.910   60.030  6.9695  57.769  6.7560  2.261215       9.706547 
1 1 1 -18 -3  48 o 53.203  5.0693  359.975    64.650   346.292    95.409   371.591    87.908   50.489  8.0589  52.998  7.0079  -2.509052      10.67972 
1 1 1 -18 -3  49 o 31.805  7.0165  137.201    52.695   159.251    77.806   118.516    71.621   33.290  9.2829  29.021  9.1237  4.269598       13.01592 
1 1 1 -18 -3  50 o 51.980  5.8355  351.422    72.329   324.488    95.998   386.788    110.003  48.189  8.5218  52.333  8.9867  -4.143185      12.38476 
1 1 1 -18 -3  51 o 43.312  7.3697  255.967    74.676   214.042    90.298   346.685    132.826  38.000  9.7462  46.874  11.712  -8.873547      15.23668 
1 1 1 -18 -3  52 o 25.217  9.4468  81.621     78.048   81.621     78.048   0.0000     0.0000   25.217  9.4468  ?       ?       0.000000       9.446780 
1 1 1 -18 -3  53 o 24.941  9.2468  80.479     74.398   36.577     84.187   237.019    158.968  22.141  9.2884  37.070  13.555  -14.92847      16.43189 
1 1 1 -18 -3  54 o 24.573  8.4746  81.380     61.312   132.231    79.763   7.9449     95.854   30.025  9.6495  21.452  9.4544  8.573683       13.50925 
1 1 1 -18 -3  55 o 16.205  7.1761  -7.0995    55.867   44.355     71.398   -88.3491   89.718   21.701  8.7676  16.686  7.9603  5.014620       11.84220 
1 1 1 -18 -3  56 f 23.310  10.308  16.090     114.879  -110.6038  304.480  37.118     124.047  29.188  14.112  24.920  10.875  4.268124       17.81584 
1 1 1 -18 -3  57 o 28.574  11.253  113.010    114.633  492.849    318.249  56.380     122.882  43.572  18.152  25.615  11.000  17.95765       21.22470 
1 1 1 -18 -3  58 o 22.892  10.247  12.288     117.115  446.362    284.163  -76.5310   128.540  41.811  17.263  20.478  9.6995  21.33300       19.80100 
1 1 1 -18 -2  1  f 81.250  4.0258  803.589    79.366   759.614    100.021  878.352    130.414  78.729  5.2663  84.492  6.4090  -5.763542      8.295148 
1 1 1 -18 -2  2  o 13.854  6.2049  -19.3212   43.005   -77.0540   105.402  -7.7908    47.104   20.271  9.3242  15.485  6.7303  4.785531       11.49946 
1 1 1 -18 -2  3  o 120.701 5.6879  1779.04    166.583  1645.62    261.850  1869.75    215.908  115.062 9.4628  123.284 7.2496  -8.221977      11.92063 
1 1 1 -18 -2  4  o 71.152  9.5044  635.689    159.985  635.689    159.985  0.0000     0.0000   71.152  9.5044  ?       ?       0.000000       9.504379 
1 1 1 -18 -2  5  o 119.875 5.4444  1753.64    158.359  1753.64    158.359  0.0000     0.0000   119.875 5.4444  ?       ?       0.000000       5.444413 
1 1 1 -18 -2  6  o 112.557 5.4323  1545.99    148.362  1545.99    148.362  0.0000     0.0000   112.557 5.4323  ?       ?       0.000000       5.432328 
1 1 1 -18 -2  7  o 120.225 4.0008  1759.10    116.710  1539.65    163.466  1987.28    166.687  112.093 6.0323  127.622 5.3828  -15.52942      8.084792 
1 1 1 -18 -2  8  o 99.445  3.9181  1203.40    94.542   1256.31    139.329  1158.25    128.708  101.282 5.6926  97.271  5.4755  4.010834       7.898576 
1 1 1 -18 -2  9  o 209.503 5.1489  5352.63    261.737  5934.63    373.354  4790.17    367.031  220.119 6.9903  197.572 7.6562  22.54723       10.36737 
1 1 1 -18 -2  10 o 80.120  3.9985  781.230    77.733   905.932    117.528  684.260    103.639  85.960  5.6666  74.639  5.7673  11.32069       8.085357 
1 1 1 -18 -2  11 f 220.166 5.2565  5912.69    280.808  6939.63    400.722  4921.83    393.617  238.045 6.9378  200.131 8.1058  37.91428       10.66942 
1 1 1 -18 -2  12 o 104.122 4.4094  1320.30    111.400  1768.88    194.440  1101.11    135.919  120.037 6.7026  94.757  5.9417  25.28000       8.957008 
1 1 1 -18 -2  13 o 99.029  3.9949  1193.50    95.992   1372.87    145.246  1054.40    127.907  105.893 5.6736  92.755  5.7109  13.13710       8.050110 
1 1 1 -18 -2  14 o 118.546 4.0368  1710.42    116.115  1966.78    171.478  1493.33    157.797  126.935 5.5675  110.410 5.9116  16.52557       8.120615 
1 1 1 -18 -2  15 o 112.951 4.5119  1554.08    123.655  2018.22    210.855  1310.77    152.662  128.214 6.8021  103.382 6.1130  24.83142       9.145339 
1 1 1 -18 -2  16 o 90.510  5.9374  1005.09    129.671  1270.10    175.997  690.409    191.782  101.546 7.1894  73.786  11.052  27.75984       13.18470 
1 1 1 -18 -2  17 o 108.143 8.6292  1448.92    224.544  0.0000     0.0000   1448.92    224.544  ?       ?       108.143 8.6292  0.000000       8.629211 
1 1 1 -18 -2  18 o 28.931  10.629  83.979     97.923   0.0000     0.0000   83.979     97.923   ?       ?       28.931  10.629  0.000000       10.62946 
1 1 1 -18 -2  19 o 83.820  4.7046  858.965    95.297   1270.98    200.589  738.860    108.300  101.322 8.2302  77.557  5.7969  23.76542       10.06676 
1 1 1 -18 -2  20 o 214.177 5.3223  5598.58    276.592  6270.23    394.422  4948.70    387.978  226.105 7.1893  200.621 7.9701  25.48399       10.73357 
1 1 1 -18 -2  21 o 133.021 4.0840  2154.50    131.817  2159.73    187.055  2149.33    185.788  132.940 5.7989  132.624 5.7734  0.3160858      8.182905 
1 1 1 -18 -2  22 o 215.108 5.8786  5657.00    306.826  5652.00    513.050  5659.78    382.832  213.517 9.9029  214.699 7.3488  -1.182495      12.33175 
1 1 1 -18 -2  23 o 153.300 4.3467  2863.59    161.684  3093.90    230.827  2641.73    226.544  159.037 5.9817  146.879 6.3567  12.15822       8.728583 
1 1 1 -18 -2  24 o 296.838 9.3046  10913.23   670.161  11204.54   983.958  10661.18   915.268  297.297 13.640  290.589 12.981  6.708588       18.82976 
1 1 1 -18 -2  25 o 212.803 7.2763  5567.93    375.712  6222.42    569.054  5062.15    500.245  223.365 10.500  201.345 10.274  22.01982       14.68984 
1 1 1 -18 -2  26 o 59.413  6.4335  437.929    91.265   399.515    173.055  452.729    107.417  55.071  13.135  60.184  7.5199  -5.112431      15.13529 
1 1 1 -18 -2  27 o 41.707  5.5274  216.527    54.559   211.899    69.951   223.713    87.177   40.883  7.3204  41.709  8.8861  -0.8257141     11.51308 
1 1 1 -18 -2  28 o 87.807  3.9253  939.979    83.632   927.494    119.281  952.050    117.291  86.808  5.6945  87.991  5.5216  -1.183296      7.931977 
1 1 1 -18 -2  29 o 39.971  5.1158  198.721    48.478   198.078    71.086   199.279    66.283   39.347  7.7214  39.592  7.1633  -0.2449875     10.53251 
1 1 1 -18 -2  30 o 48.454  4.4607  289.440    51.855   260.516    74.352   316.833    72.357   45.413  6.9704  50.399  6.0371  -4.986012      9.221293 
1 1 1 -18 -2  31 o 63.065  4.1271  488.172    62.805   551.429    89.285   426.215    88.363   66.743  5.5640  58.434  6.3336  8.309067       8.430436 
1 1 1 -18 -2  32 o 51.469  5.3617  329.306    65.977   346.834    77.015   280.962    127.899  52.643  6.1449  45.790  11.521  6.853683       13.05750 
1 1 1 -18 -2  33 o 140.648 4.3093  2424.50    147.064  2322.34    209.322  2524.08    206.664  136.866 6.3031  142.848 5.9625  -5.981934      8.676450 
1 1 1 -18 -2  34 o 48.740  4.5747  294.359    53.468   379.456    75.370   208.144    75.864   55.098  5.7211  39.970  8.0998  15.12832       9.916556 
1 1 1 -18 -2  35 o 76.196  4.0157  713.973    73.981   742.086    106.392  687.654    102.943  77.160  5.7235  74.249  5.7591  2.911148       8.119419 
1 1 1 -18 -2  36 o 66.660  4.0820  547.724    65.706   512.186    93.568   582.299    92.291   63.827  6.1167  68.268  5.6215  -4.441685      8.307509 
1 1 1 -18 -2  37 o 48.057  6.0587  292.572    69.077   281.465    82.322   319.001    126.989  46.599  7.5381  48.115  11.103  -1.515877      13.42010 
1 1 1 -18 -2  38 o 66.468  5.5096  553.537    88.057   580.463    107.036  497.152    154.892  67.618  6.6084  60.253  11.000  7.364681       12.83240 
1 1 1 -18 -2  39 f 17.338  6.5381  28.828     37.508   67.864     53.823   -8.0304    52.299   23.543  7.9436  16.058  7.0329  7.484707       10.60957 
1 1 1 -18 -2  40 o 60.257  4.6292  452.032    67.165   523.942    99.421   391.663    91.094   64.152  6.4758  55.177  6.9588  8.974106       9.505800 
1 1 1 -18 -2  41 o 20.407  7.3776  46.078     46.900   71.841     72.745   27.753     61.354   25.088  9.1700  20.095  8.1245  4.993221       12.25141 
1 1 1 -18 -2  42 f 57.536  4.8825  414.263    67.519   418.347    101.936  411.071    90.125   56.633  7.6108  56.570  6.6958  0.6238174E-01  10.13693 
1 1 1 -18 -2  43 o 34.648  8.5279  162.911    71.210   99.193     165.397  177.410    78.897   32.147  13.210  35.995  9.0445  -3.847908      16.00942 
1 1 1 -18 -2  44 o 25.775  8.6841  84.876     64.325   -26.6513   172.660  102.851    69.315   27.124  12.265  27.876  8.9991  -0.7523727     15.21268 
1 1 1 -18 -2  45 o 15.987  6.7534  6.9667     45.008   -62.5973   74.738   46.549     56.376   16.191  7.5836  21.152  8.0061  -4.960720      11.02764 
1 1 1 -18 -2  46 o 36.435  6.4491  174.423    54.928   165.360    81.459   181.980    74.382   34.253  9.4796  36.297  8.5809  -2.043808      12.78649 
1 1 1 -18 -2  47 o 55.690  4.9609  392.772    66.333   546.339    97.614   261.013    90.418   64.982  6.2687  43.302  8.9031  21.68041       10.88857 
1 1 1 -18 -2  48 o 33.115  6.9864  147.915    54.370   173.707    80.406   126.187    73.800   34.831  9.3275  29.919  9.2380  4.912045       13.12791 
1 1 1 -18 -2  49 o 18.149  7.0256  31.936     44.072   -39.8049   70.838   77.242     56.293   16.479  7.6031  24.155  8.1240  -7.675634      11.12685 
1 1 1 -18 -2  50 o 40.694  6.9898  223.559    66.531   205.655    87.214   248.483    102.898  37.437  9.5658  40.633  10.395  -3.196323      14.12630 
1 1 1 -18 -2  51 o 20.905  8.0465  47.632     57.555   66.906     73.230   16.489     93.086   23.729  9.0903  21.713  9.4492  2.016363       13.11180 
1 1 1 -18 -2  52 o 28.026  9.1505  112.354    71.556   91.490     81.409   183.234    150.051  26.196  9.6805  33.845  13.001  -7.649338      16.20923 
1 1 1 -18 -2  53 o 22.081  8.7287  51.189     69.222   25.286     76.736   164.355    160.393  20.755  8.7957  32.836  13.185  -12.08035      15.84955 
1 1 1 -18 -2  54 o 17.279  7.3553  10.824     54.076   70.204     66.925   -100.8619  91.784   23.671  8.7713  16.508  7.9225  7.162996       11.81951 
1 1 1 -18 -2  55 o 20.054  8.0981  35.489     60.879   -0.8359    75.951   100.768    101.816  19.036  8.4016  27.625  10.683  -8.588917      13.59085 
1 1 1 -18 -2  56 o 19.743  9.1027  -37.7023   101.265  -79.5007   203.124  -23.8778   116.816  25.535  12.124  21.668  9.9111  3.867319       15.65919 
1 1 1 -18 -2  57 f 34.748  11.677  198.664    116.297  -223.7097  221.391  359.631    136.672  23.334  11.446  46.634  12.007  -23.30029      16.58830 
1 1 1 -18 -1  1  o 229.867 7.5902  6486.08    423.345  6721.35    624.945  6286.56    575.506  232.471 11.079  225.090 10.537  7.381027       15.28997 
1 1 1 -18 -1  2  o 282.867 8.8361  9860.59    606.470  10227.70   886.113  9537.08    831.816  285.668 12.784  276.105 12.416  9.562775       17.82108 
1 1 1 -18 -1  3  o 39.794  11.419  201.909    116.009  201.909    116.009  0.0000     0.0000   39.794  11.419  ?       ?       0.000000       11.41863 
1 1 1 -18 -1  4  o 167.177 6.3651  3417.97    258.195  3417.97    258.195  0.0000     0.0000   167.177 6.3651  ?       ?       0.000000       6.365120 
1 1 1 -18 -1  5  o 111.828 5.3785  1525.84    145.940  1525.84    145.940  0.0000     0.0000   111.828 5.3785  ?       ?       0.000000       5.378480 
1 1 1 -18 -1  6  o 130.361 4.2030  2068.87    132.943  1739.87    184.345  2425.40    191.902  119.107 6.4021  140.956 5.6109  -21.84920      8.512896 
1 1 1 -18 -1  7  o 42.273  5.0339  220.919    50.618   354.240    81.250   136.351    64.711   53.451  6.3915  32.679  8.1801  20.77210       10.38102 
1 1 1 -18 -1  8  o 115.183 3.9415  1614.47    110.159  1579.50    160.192  1645.85    151.728  113.578 5.8325  116.145 5.3839  -2.567108      7.937528 
1 1 1 -18 -1  9  o 35.854  5.3210  160.176    44.886   114.624    73.914   186.789    56.496   30.387  9.2196  38.612  6.2433  -8.224514      11.13458 
1 1 1 -18 -1  10 o 49.619  5.1565  303.434    61.175   322.414    85.811   283.818    87.235   50.814  7.1582  47.477  7.8466  3.336311       10.62118 
1 1 1 -18 -1  11 o 124.078 4.0440  1873.76    121.749  2143.68    176.670  1629.63    168.016  132.536 5.4937  115.335 6.0247  17.20072       8.153373 
1 1 1 -18 -1  12 o 64.753  4.5600  513.266    71.188   706.744    128.109  426.835    85.624   75.636  7.0623  58.793  6.0905  16.84263       9.325759 
1 1 1 -18 -1  13 o 121.564 4.0714  1798.71    120.092  2129.48    174.976  1504.13    165.124  132.099 5.4590  110.764 6.1684  21.33521       8.237150 
1 1 1 -18 -1  14 o 116.214 4.0365  1643.81    113.824  2032.01    167.970  1314.18    154.780  129.052 5.3642  103.506 6.1914  25.54613       8.191914 
1 1 1 -18 -1  15 o 179.254 6.9220  3935.44    301.065  4813.91    407.129  2875.38    447.232  197.785 8.4835  151.238 12.294  46.54703       14.93674 
1 1 1 -18 -1  16 f 46.822  10.681  282.486    118.654  0.0000     0.0000   282.486    118.654  ?       ?       46.822  10.681  0.000000       10.68050 
1 1 1 -18 -1  17 o 271.486 12.731  9235.97    838.648  0.0000     0.0000   9235.97    838.648  ?       ?       271.486 12.731  0.000000       12.73117 
1 1 1 -18 -1  18 o 224.506 11.209  6272.85    610.588  0.0000     0.0000   6272.85    610.588  ?       ?       224.506 11.209  0.000000       11.20874 
1 1 1 -18 -1  19 o 219.377 5.3563  5873.69    285.116  6667.49    407.920  5115.49    398.668  233.168 7.2101  203.964 8.0556  29.20430       10.81100 
1 1 1 -18 -1  20 o 40.383  5.0128  201.912    48.062   201.063    68.701   202.727    67.261   39.865  7.3741  40.070  7.1819  -0.2046242     10.29357 
1 1 1 -18 -1  21 o 128.389 4.0569  2007.03    126.381  2178.24    179.911  1840.23    177.573  133.545 5.5522  122.683 5.9652  10.86147       8.149303 
1 1 1 -18 -1  22 o 45.011  4.7184  249.694    50.766   229.765    72.142   269.243    71.451   42.700  7.2204  46.447  6.5195  -3.746559      9.728239 
1 1 1 -18 -1  23 o 154.195 4.3626  2897.42    163.224  3069.40    233.274  2732.44    228.467  158.376 6.0703  149.380 6.3033  8.996002       8.751009 
1 1 1 -18 -1  24 o 71.816  6.0068  635.550    103.710  570.962    188.396  663.634    124.228  66.476  12.127  73.181  7.0848  -6.704201      14.04467 
1 1 1 -18 -1  25 o 54.046  6.6747  363.706    85.671   375.211    165.908  359.523    100.041  53.441  12.934  53.445  7.9572  -0.3513336E-02 15.18564 
1 1 1 -18 -1  26 o 28.056  8.8689  96.439     67.593   301.238    143.826  38.383     76.577   47.935  12.304  23.235  9.1820  24.70038       15.35218 
1 1 1 -18 -1  27 o 43.787  4.9769  237.293    51.937   256.915    75.677   219.822    71.409   45.145  7.1466  41.645  7.3349  3.500336       10.24079 
1 1 1 -18 -1  28 o 79.341  3.9911  769.651    76.589   751.104    109.361  787.503    107.296  78.038  5.8174  79.970  5.5642  -1.932793      8.049984 
1 1 1 -18 -1  29 o 45.428  4.6769  254.999    50.815   253.685    71.960   256.305    71.768   44.859  6.8264  45.110  6.7654  -0.2505608     9.611007 
1 1 1 -18 -1  30 o 42.814  4.8886  227.409    49.875   225.372    70.538   229.446    70.529   42.108  7.1603  42.515  7.0864  -0.4068489     10.07408 
1 1 1 -18 -1  31 o 84.988  3.8951  882.444    80.322   877.505    115.025  887.145    112.213  84.243  5.6601  84.755  5.4859  -0.5118027     7.882371 
1 1 1 -18 -1  32 o 100.421 3.9381  1233.27    95.956   1258.50    137.680  1209.43    133.808  100.870 5.6480  98.895  5.5993  1.975296       7.953078 
1 1 1 -18 -1  33 o 31.802  5.5825  128.372    41.506   75.253     59.991   177.145    57.485   25.017  8.3868  37.231  6.6052  -12.21343      10.67553 
1 1 1 -18 -1  34 o 44.638  4.7339  247.824    50.490   226.876    73.484   266.558    69.491   41.926  7.4987  45.864  6.4204  -3.937607      9.871796 
1 1 1 -18 -1  35 o 24.221  6.6509  75.730     40.280   57.238     55.947   95.633     58.041   22.628  8.0721  27.226  8.1496  -4.598858      11.47062 
1 1 1 -18 -1  36 o 65.573  5.5334  537.460    87.217   539.924    106.000  532.294    153.463  65.246  6.7953  63.037  10.396  2.208633       12.41958 
1 1 1 -18 -1  37 o 74.391  5.4346  691.291    97.417   679.033    119.202  715.942    169.042  73.141  6.7944  73.500  9.7168  -0.3584824     11.85664 
1 1 1 -18 -1  38 o 30.170  7.6160  120.439    55.758   138.113    64.930   70.799     108.818  32.176  8.2711  27.651  10.940  4.525810       13.71458 
1 1 1 -18 -1  39 o 19.609  6.6085  46.021     37.250   90.710     50.671   -6.5286    54.947   26.297  7.5468  16.567  7.2335  9.730011       10.45354 
1 1 1 -18 -1  40 o 48.608  5.1909  297.221    60.277   289.503    91.419   303.158    80.172   46.703  8.3750  48.407  7.0315  -1.703915      10.93533 
1 1 1 -18 -1  41 o 40.544  5.9526  210.421    56.815   287.665    85.990   150.573    75.690   46.734  7.8623  33.285  9.1075  13.44904       12.03179 
1 1 1 -18 -1  42 o 48.374  6.5664  301.448    75.081   66.644     191.947  343.863    81.581   32.126  13.771  51.672  6.6620  -19.54535      15.29772 
1 1 1 -18 -1  43 o 11.846  5.7078  -70.6047   48.796   -13.0674   157.360  -76.7258   51.326   26.616  11.899  12.034  5.8122  14.58180       13.24242 
1 1 1 -18 -1  44 o 40.210  8.5430  219.925    80.779   245.829    187.549  214.024    89.507   40.338  14.727  39.213  9.5059  1.124798       17.52857 
1 1 1 -18 -1  45 o 30.371  7.3054  124.068    53.177   68.519     84.353   160.704    68.505   25.222  9.7320  34.247  8.3251  -9.024849      12.80696 
1 1 1 -18 -1  46 o 38.080  6.4273  190.436    57.273   240.371    89.493   155.798    74.535   41.465  9.1409  33.354  9.0012  8.111622       12.82879 
1 1 1 -18 -1  47 o 20.211  7.3991  46.560     47.387   -30.6842   78.430   90.971     59.469   18.000  8.1896  25.985  8.3300  -7.985044      11.68159 
1 1 1 -18 -1  48 f 40.219  6.1327  212.296    57.954   194.635    85.641   227.215    78.715   36.695  9.5326  40.460  8.2964  -3.765366      12.63732 
1 1 1 -18 -1  49 o 26.757  8.3189  99.319     59.730   198.303    78.717   -35.0243   91.705   37.279  8.8370  19.131  8.7618  18.14868       12.44433 
1 1 1 -18 -1  50 o 35.306  8.3352  176.688    70.260   209.297    84.816   105.374    125.427  37.887  9.2960  28.899  11.640  8.987883       14.89651 
1 1 1 -18 -1  51 o 31.854  9.3111  148.935    76.502   201.070    86.383   -40.6327   164.721  36.841  9.5753  24.613  11.439  12.22880       14.91737 
1 1 1 -18 -1  52 o 22.689  8.8347  57.674     70.006   97.674     77.507   -119.4769  163.112  26.637  9.5012  22.283  10.659  4.353819       14.27878 
1 1 1 -18 -1  53 o 21.809  8.2039  56.005     58.981   68.991     72.728   31.056     100.809  23.850  9.0775  23.106  9.9439  0.7440643      13.46411 
1 1 1 -18 -1  54 o 51.823  6.0864  353.151    75.075   251.475    95.097   521.349    122.311  41.253  9.6690  61.038  8.4883  -19.78497      12.86624 
1 1 1 -18 -1  55 o 64.856  9.6064  610.902    146.602  456.860    270.736  674.809    174.381  44.902  17.404  66.305  11.241  -21.40258      20.71877 
1 1 1 -18 -1  56 o 27.473  10.918  98.557     108.835  100.584    217.460  97.879     125.713  30.956  13.902  28.018  11.515  2.938120       18.05204 
1 1 1 -18 -1  57 o 32.020  11.791  166.907    120.588  108.562    231.260  188.696    141.321  30.927  14.068  33.305  12.659  -2.377504      18.92517 
1 1 1 -18 0   1  o 12.070  5.6156  -36.4781   39.878   -53.0420   80.305   -31.0568   45.942   18.003  8.2281  13.614  6.2226  4.389399       10.31613 
1 1 1 -18 0   2  o 172.033 6.4242  3620.30    268.161  3869.14    408.084  3431.20    355.753  176.727 9.5521  166.650 8.8294  10.07649       13.00769 
1 1 1 -18 0   3  o 184.273 6.5893  4155.20    294.620  4155.20    294.620  0.0000     0.0000   184.273 6.5893  ?       ?       0.000000       6.589269 
1 1 1 -18 0   4  o 65.304  5.4151  523.891    85.030   523.891    85.030   0.0000     0.0000   65.304  5.4151  ?       ?       0.000000       5.415070 
1 1 1 -18 0   5  o 229.582 5.3079  6429.98    295.683  5878.43    417.649  6984.24    418.670  218.794 7.8670  238.711 7.2283  -19.91644      10.68357 
1 1 1 -18 0   6  o 89.608  4.0758  977.336    88.620   925.092    122.791  1034.13    128.027  86.837  5.8621  91.848  5.7741  -5.011230      8.228245 
1 1 1 -18 0   7  o 428.888 10.525  22799.70   1095.32  23343.80   1548.95  22255.49   1549.09  429.473 14.864  418.897 15.241  10.57565       21.28898 
1 1 1 -18 0   8  o 296.681 6.4714  10765.87   465.853  11321.82   660.463  10215.44   657.180  303.109 8.9802  287.697 9.4142  15.41144       13.01044 
1 1 1 -18 0   9  o 273.379 6.2062  9135.21    411.675  9641.77    583.555  8633.34    580.847  279.901 8.5924  264.656 9.0452  15.24478       12.47573 
1 1 1 -18 0   10 o 298.149 6.5590  10875.18   474.498  11525.34   672.531  10230.75   669.562  305.775 9.0646  287.821 9.5875  17.95432       13.19416 
1 1 1 -18 0   11 o 119.789 4.0618  1746.51    118.059  1877.69    171.517  1628.39    162.750  124.013 5.7000  115.326 5.8351  8.687462       8.157080 
1 1 1 -18 0   12 o 75.955  4.4895  705.107    82.373   814.749    110.734  569.268    123.255  81.505  5.6339  67.699  7.6368  13.80564       9.490108 
1 1 1 -18 0   13 o 216.029 5.1607  5691.58    270.513  6316.71    385.522  5085.27    379.671  227.088 6.9967  203.552 7.6872  23.53563       10.39454 
1 1 1 -18 0   14 o 74.840  4.1647  683.953    75.329   1118.55    114.779  355.125    99.840   95.660  4.9621  53.203  7.9802  42.45691       9.397098 
1 1 1 -18 0   15 o 184.253 10.145  4215.23    451.821  0.0000     0.0000   4215.23    451.821  ?       ?       184.253 10.145  0.000000       10.14528 
1 1 1 -18 0   16 o 159.259 9.4938  3143.46    365.199  0.0000     0.0000   3143.46    365.199  ?       ?       159.259 9.4938  0.000000       9.493778 
1 1 1 -18 0   17 o 38.285  11.187  185.989    110.445  0.0000     0.0000   185.989    110.445  ?       ?       38.285  11.187  0.000000       11.18672 
1 1 1 -18 0   18 o 44.528  5.2189  245.158    55.317   311.785    93.135   208.843    68.759   49.769  7.9821  40.681  7.2308  9.088295       10.77026 
1 1 1 -18 0   19 o 164.441 4.4824  3294.50    178.848  3280.47    253.962  3308.32    251.907  163.734 6.3924  164.445 6.3133  -0.7109070     8.984468 
1 1 1 -18 0   20 o 85.814  3.8415  896.249    79.988   890.665    113.464  901.765    112.779  85.228  5.5163  85.771  5.4473  -0.5423965     7.752574 
1 1 1 -18 0   21 o 59.777  4.4881  437.874    64.622   405.797    88.615   474.308    94.441   57.210  6.4991  61.929  6.3761  -4.719601      9.104495 
1 1 1 -18 0   22 o 230.063 5.5139  6466.15    307.801  6320.12    436.128  6611.07    434.470  226.612 7.9317  231.855 7.7229  -5.243134      11.07045 
1 1 1 -18 0   23 f 14.482  7.0117  -123.8331  75.807   25.531     131.320  -198.4834  92.838   27.947  11.653  14.746  7.2684  13.20060       13.73377 
1 1 1 -18 0   24 o 95.870  6.0479  1129.67    139.964  890.915    231.202  1267.78    175.848  83.532  11.730  101.320 7.1997  -17.78767      13.76367 
1 1 1 -18 0   25 o 141.168 6.2194  2442.77    213.035  2211.17    339.959  2592.52    273.366  132.613 10.655  144.803 7.8093  -12.19031      13.21047 
1 1 1 -18 0   26 o 156.519 4.4469  2989.09    168.884  3220.17    241.042  2766.27    236.694  162.044 6.1305  150.090 6.4994  11.95358       8.934478 
1 1 1 -18 0   27 o 8.1698  4.0719  -84.1675   32.370   -101.0165  50.493   -72.4109   42.178   11.133  5.4621  10.668  5.1806  0.4645548      7.528202 
1 1 1 -18 0   28 o 108.589 3.9552  1438.37    104.211  1476.99    149.273  1401.65    145.552  109.591 5.6326  106.750 5.6393  2.840919       7.970477 
1 1 1 -18 0   29 o 36.482  5.5654  167.016    47.706   206.899    69.289   131.071    65.780   40.280  7.3607  31.861  8.3921  8.418648       11.16276 
1 1 1 -18 0   30 o 85.137  3.9613  885.389    81.832   894.651    116.830  876.469    114.657  85.093  5.6913  84.233  5.6425  0.8598022      8.014272 
1 1 1 -18 0   31 o 75.645  4.8367  704.893    88.311   688.439    104.137  747.025    166.637  74.505  5.8063  76.442  9.1670  -1.936668      10.85115 
1 1 1 -18 0   32 o 85.397  3.9511  892.280    81.870   988.856    118.063  802.824    113.627  89.396  5.4692  80.395  5.8654  9.001450       8.019646 
1 1 1 -18 0   33 o 128.390 4.1686  2020.93    129.862  2128.40    185.330  1917.27    182.020  131.108 5.8257  124.345 6.0329  6.763351       8.386616 
1 1 1 -18 0   34 o 48.746  4.5963  294.837    53.722   359.160    76.145   231.090    75.804   53.466  5.9715  42.230  7.6808  11.23537       9.728993 
1 1 1 -18 0   35 o 137.049 4.2918  2309.64    142.719  2385.69    203.949  2236.65    199.786  138.361 6.0750  133.926 6.1480  4.434357       8.643116 
1 1 1 -18 0   36 o 26.649  7.9841  92.019     55.688   115.404    67.575   42.525     98.309   29.628  8.7765  25.067  10.229  4.561398       13.47792 
1 1 1 -18 0   37 o 44.097  6.6420  249.627    68.863   266.051    82.567   212.096    124.810  45.102  7.8288  39.041  12.007  6.061344       14.33364 
1 1 1 -18 0   38 o 11.308  5.2503  -28.9184   34.578   -30.7648   47.722   -26.8776   50.170   13.759  6.3086  14.430  6.5594  -0.6706219     9.100742 
1 1 1 -18 0   39 o 13.558  6.1351  -21.3035   43.279   -49.6659   70.079   -3.8162    55.027   16.283  7.5300  16.767  7.2808  -0.4844265     10.47430 
1 1 1 -18 0   40 o 59.394  4.7826  440.285    68.340   557.213    100.497  339.701    93.209   66.202  6.3336  50.929  7.7903  15.27293       10.04007 
1 1 1 -18 0   41 o 40.519  5.7891  209.747    55.298   213.621    84.917   206.895    72.866   39.636  9.0310  39.451  7.8877  0.1845703      11.99061 
1 1 1 -18 0   42 o 16.649  7.3722  -13.0365   58.952   -36.5917   160.388  -9.3571    63.389   26.035  11.793  17.521  7.7065  8.514090       14.08780 
1 1 1 -18 0   43 o 57.105  6.8886  422.359    93.521   385.247    205.630  432.038    105.010  48.835  15.472  57.298  7.7522  -8.463444      17.30575 
1 1 1 -18 0   44 o 17.970  7.0790  26.889     45.382   -20.9634   73.676   56.146     57.608   18.100  8.1131  22.246  8.1560  -4.146210      11.50399 
1 1 1 -18 0   45 o 12.805  5.9740  -38.4944   45.631   38.063     70.474   -93.7593   59.877   21.621  8.7193  12.732  6.1803  8.889320       10.68749 
1 1 1 -18 0   46 o 24.769  8.0214  81.155     55.038   206.512    77.763   -44.6718   77.908   38.612  8.5279  17.294  7.9773  21.31753       11.67746 
1 1 1 -18 0   47 o 39.609  6.8602  209.182    63.544   163.716    90.217   253.944    89.516   33.531  10.188  42.498  8.9631  -8.967148      13.56987 
1 1 1 -18 0   48 o 33.308  7.7194  153.353    61.169   190.864    81.530   105.048    92.520   36.422  9.2175  28.043  10.328  8.379484       13.84282 
1 1 1 -18 0   49 o 14.902  6.9041  -38.2690   59.304   -84.1352   68.871   93.273     116.633  14.264  6.8502  27.913  11.231  -13.64896      13.15528 
1 1 1 -18 0   50 o 66.595  5.3403  570.766    85.565   587.162    114.425  549.968    128.873  65.997  7.2659  62.530  8.7322  3.466595       11.35984 
1 1 1 -18 0   51 o 47.151  7.8396  307.588    86.541   271.113    100.028  416.152    172.571  42.708  9.8532  48.700  13.912  -5.991798      17.04775 
1 1 1 -18 0   52 o 61.857  6.8475  511.780    101.051  595.881    117.794  277.401    196.645  66.234  7.4594  38.718  14.881  27.51678       16.64571 
1 1 1 -18 0   53 o 78.919  5.0444  796.082    96.090   673.934    129.277  946.877    143.639  70.269  7.7087  84.057  7.1092  -13.78783      10.48645 
1 1 1 -18 0   54 o 22.758  8.3012  64.994     59.569   -37.8374   73.904   255.703    100.645  16.835  7.7670  41.212  10.135  -24.37684      12.76905 
1 1 1 -18 0   55 o 58.506  10.014  507.125    137.047  167.368    265.442  630.607    160.025  34.151  15.347  64.720  10.554  -30.56954      18.62571 
1 1 1 -18 0   56 o 17.006  8.1135  -86.2644   93.255   135.733    178.912  -169.0758  109.273  31.112  13.314  16.341  8.0211  14.77040       15.54395 
1 1 1 -18 1   1  o 276.331 8.6756  9404.77    581.691  9674.34    848.497  9165.73    799.002  277.977 12.580  270.848 12.158  7.128784       17.49481 
1 1 1 -18 1   2  o 56.938  5.7326  399.819    78.122   399.819    78.122   0.0000     0.0000   56.938  5.7326  ?       ?       0.000000       5.732632 
1 1 1 -18 1   3  o 172.574 6.4915  3643.34    271.823  3643.34    271.823  0.0000     0.0000   172.574 6.4915  ?       ?       0.000000       6.491536 
1 1 1 -18 1   4  f 110.845 5.4341  1499.29    146.151  1499.29    146.151  0.0000     0.0000   110.845 5.4341  ?       ?       0.000000       5.434052 
1 1 1 -18 1   5  f 139.189 4.8671  2361.35    164.377  2514.82    208.082  2106.61    268.085  143.472 5.9773  130.582 8.5075  12.89005       10.39738 
1 1 1 -18 1   6  o 62.019  4.3373  470.621    64.858   431.818    101.979  496.977    84.047   58.921  7.2886  63.581  5.5021  -4.660679      9.132219 
1 1 1 -18 1   7  o 116.706 4.0841  1657.80    115.651  1792.20    168.883  1539.12    158.703  121.152 5.7450  112.109 5.8545  9.043045       8.202481 
1 1 1 -18 1   8  o 46.835  4.9799  270.384    55.724   241.361    93.438   286.404    69.419   43.460  9.1501  48.038  6.0926  -4.578423      10.99294 
1 1 1 -18 1   9  o 36.020  8.9092  166.088    77.433   -335.6122  163.148  311.964    87.974   19.733  9.7087  49.901  7.4976  -30.16768      12.26677 
1 1 1 -18 1   10 o 118.529 4.1414  1710.16    119.105  1973.52    173.852  1477.21    163.504  127.148 5.6352  109.769 6.1638  17.37913       8.351485 
1 1 1 -18 1   11 o 49.651  4.7910  303.175    57.002   273.475    92.479   321.371    72.388   46.446  8.5199  50.950  5.9685  -4.503025      10.40251 
1 1 1 -18 1   12 o 177.072 4.7896  3821.13    205.784  4246.16    294.458  3415.38    287.704  186.305 6.5138  166.958 7.1019  19.34711       9.636725 
1 1 1 -18 1   13 o 110.851 3.9744  1495.44    106.900  1784.41    157.417  1248.12    145.630  120.934 5.3646  100.900 5.9750  20.03409       8.029904 
1 1 1 -18 1   14 o 142.924 9.2187  2530.06    317.992  0.0000     0.0000   2530.06    317.992  ?       ?       142.924 9.2187  0.000000       9.218679 
1 1 1 -18 1   15 o 12.297  6.1205  -182.5068  72.108   0.0000     0.0000   -182.5068  72.108   ?       ?       12.297  6.1205  0.000000       6.120533 
1 1 1 -18 1   16 o 272.660 12.834  9320.78    849.080  0.0000     0.0000   9320.78    849.080  ?       ?       272.660 12.834  0.000000       12.83405 
1 1 1 -18 1   17 o 223.206 5.3060  6079.28    287.366  6628.32    409.289  5545.50    403.566  232.486 7.2555  212.464 7.8283  20.02254       10.67355 
1 1 1 -18 1   18 o 208.988 5.0957  5327.52    258.400  5375.94    366.411  5279.61    364.461  209.369 7.2126  207.477 7.2396  1.892654       10.21930 
1 1 1 -18 1   19 o 49.208  4.4852  297.440    52.964   282.437    75.924   311.661    73.921   47.555  6.7710  50.105  6.2136  -2.549500      9.190003 
1 1 1 -18 1   20 o 130.955 4.1825  2088.51    132.899  1977.21    186.707  2202.81    189.213  127.153 6.0516  134.253 5.8085  -7.099945      8.388099 
1 1 1 -18 1   21 o 46.382  5.1392  265.714    56.865   201.295    78.351   337.414    82.661   39.693  8.3973  52.058  6.6995  -12.36498      10.74233 
1 1 1 -18 1   22 o 161.553 5.6382  3190.00    221.013  2689.85    362.135  3486.87    278.999  146.778 10.232  168.614 6.8194  -21.83595      12.29645 
1 1 1 -18 1   23 f 56.877  7.7747  405.314    104.486  97.512     172.112  584.963    131.488  35.036  13.791  68.441  8.0731  -33.40573      15.98024 
1 1 1 -18 1   24 o 63.331  6.9982  498.542    105.742  484.899    185.614  505.097    128.661  60.847  12.969  63.375  8.5880  -2.528255      15.55437 
1 1 1 -18 1   25 o 28.201  9.7213  90.745     80.674   84.055     142.000  93.934     98.030   32.087  12.558  29.628  10.673  2.458872       16.48074 
1 1 1 -18 1   26 o 42.934  5.5159  229.280    56.133   244.750    75.515   210.175    83.917   43.999  7.3313  40.403  8.8084  3.596153       11.46014 
1 1 1 -18 1   27 o 51.925  4.7207  332.178    58.827   361.194    79.720   297.491    87.164   53.877  6.2120  48.492  7.6625  5.384792       9.864252 
1 1 1 -18 1   28 o 52.887  4.6549  344.641    59.126   336.871    80.220   353.883    87.485   51.902  6.5134  53.108  6.9564  -1.206085      9.529762 
1 1 1 -18 1   29 o 38.881  5.6511  189.536    51.752   228.304    67.903   135.810    79.937   42.472  6.8198  32.515  9.5218  9.957077       11.71218 
1 1 1 -18 1   30 o 89.572  4.0701  980.827    88.459   942.046    122.993  1022.38    127.319  87.245  5.8438  90.918  5.8017  -3.672203      8.234613 
1 1 1 -18 1   31 o 100.237 4.0429  1229.27    98.329   1243.33    137.949  1214.75    140.195  100.242 5.6951  99.022  5.8610  1.219543       8.172250 
1 1 1 -18 1   32 o 20.218  7.0081  46.437     41.954   63.773     54.972   22.256     64.924   23.381  8.0267  20.347  8.3087  3.033688       11.55259 
1 1 1 -18 1   33 o 44.182  4.8757  243.204    51.399   241.070    71.925   245.432    73.477   43.379  7.0775  43.749  7.1703  -0.3700905     10.07496 
1 1 1 -18 1   34 o 34.204  5.9338  149.321    47.460   158.066    65.903   139.900    68.405   34.675  7.9964  32.537  8.5522  2.137470       11.70817 
1 1 1 -18 1   35 f 64.501  5.5848  520.429    86.543   462.287    104.930  644.116    153.044  60.101  7.3484  70.124  9.2181  -10.02275      11.78867 
1 1 1 -18 1   36 o 79.005  5.4845  779.685    104.486  779.261    128.413  780.516    179.738  78.376  6.8204  76.667  9.8928  1.709496       12.01605 
1 1 1 -18 1   37 o 14.984  6.5197  -5.0179    44.304   61.590     51.704   -189.0264  85.938   22.684  7.7847  13.823  6.8462  8.860775       10.36682 
1 1 1 -18 1   38 o 14.789  6.3871  -2.1661    41.888   1.9981     54.075   -8.4132    66.233   17.072  7.3134  18.060  7.9119  -0.9871254     10.77427 
1 1 1 -18 1   39 o 55.600  5.1641  387.828    68.873   349.106    97.316   426.684    97.486   51.544  8.0438  57.519  7.1384  -5.974953      10.75448 
1 1 1 -18 1   40 o 35.518  7.3753  166.662    61.483   72.320     83.356   279.231    91.052   25.821  9.7443  45.729  8.5196  -19.90815      12.94352 
1 1 1 -18 1   41 o 53.425  7.3018  371.334    92.175   293.560    197.854  392.893    104.170  43.829  15.217  54.564  8.1152  -10.73489      17.24609 
1 1 1 -18 1   42 o 17.543  8.0289  -40.9281   76.816   -321.4122  158.852  44.677     87.758   18.696  9.2683  23.898  9.6975  -5.201159      13.41426 
1 1 1 -18 1   43 o 23.694  9.6737  42.778     87.991   -29.0979   157.258  75.536     106.165  25.847  11.695  27.281  10.802  -1.434114      15.92033 
1 1 1 -18 1   44 o 28.229  8.0940  108.040    58.310   133.995    80.119   78.808     85.026   31.098  9.6292  26.099  9.8433  4.998968       13.76999 
1 1 1 -18 1   45 o 42.351  6.5730  235.338    65.355   152.572    91.972   319.760    92.888   32.729  10.345  48.596  8.1674  -15.86702      13.18071 
1 1 1 -18 1   46 o 21.981  8.0125  56.990     55.486   59.187     75.623   54.430     81.662   23.612  9.1856  23.670  9.4414  -0.5793571E-01 13.17250 
1 1 1 -18 1   47 o 22.511  8.2009  61.175     58.113   130.164    81.536   -10.0491   82.847   30.227  9.7606  19.497  8.6808  10.73029       13.06234 
1 1 1 -18 1   48 o 29.012  8.3319  118.444    61.744   117.666    79.471   119.630    98.071   28.823  9.6528  29.279  10.656  -0.4558811     14.37773 
1 1 1 -18 1   49 o 53.638  6.6898  382.937    85.173   348.844    101.836  462.308    155.380  49.663  8.7717  53.975  12.156  -4.312202      14.99074 
1 1 1 -18 1   50 o 35.050  8.6078  176.469    72.672   161.033    83.145   226.424    149.577  32.887  9.7337  36.636  13.185  -3.748611      16.38867 
1 1 1 -18 1   51 o 23.837  9.2595  66.359     76.758   110.085    88.577   -65.4784   153.806  27.988  10.136  23.109  10.841  4.879467       14.84152 
1 1 1 -18 1   52 o 25.846  8.4640  92.845     61.206   130.683    76.281   24.453     102.552  29.910  9.4178  22.873  9.9360  7.036539       13.69012 
1 1 1 -18 1   53 o 43.413  6.6626  252.717    67.940   298.384    87.363   182.833    108.072  46.275  8.0744  34.217  11.249  12.05756       13.84692 
1 1 1 -18 1   54 o 56.456  10.271  475.372    135.511  48.782     272.811  615.101    156.135  31.393  14.633  64.239  10.370  -32.84596      17.93533 
1 1 1 -18 1   55 o 32.750  11.859  171.471    121.263  287.189    242.734  132.987    139.982  37.828  15.814  30.400  12.278  7.427813       20.02076 
1 1 1 -18 1   56 o 23.357  10.306  26.051     114.225  -80.1788   234.077  59.254     130.864  26.386  12.660  25.874  11.232  0.5119934      16.92438 
1 1 1 -18 2   1  o 117.779 5.5015  1693.22    157.222  1693.22    157.222  0.0000     0.0000   117.779 5.5015  ?       ?       0.000000       5.501481 
1 1 1 -18 2   2  o 84.435  5.3021  873.150    108.076  873.150    108.076  0.0000     0.0000   84.435  5.3021  ?       ?       0.000000       5.302147 
1 1 1 -18 2   3  o 118.600 5.5376  1716.89    159.356  1716.89    159.356  0.0000     0.0000   118.600 5.5376  ?       ?       0.000000       5.537560 
1 1 1 -18 2   4  o 116.989 4.5199  1667.15    128.304  1992.01    164.309  1159.55    205.388  127.785 5.2993  96.632  8.8583  31.15288       10.32245 
1 1 1 -18 2   5  o 104.062 3.9927  1317.89    100.815  1600.90    146.652  1064.31    138.818  114.559 5.2759  93.113  6.1794  21.44585       8.125223 
1 1 1 -18 2   6  o 93.124  3.9937  1055.39    90.240   1122.67    133.456  998.713    122.485  95.713  5.7735  90.280  5.6194  5.433029       8.056728 
1 1 1 -18 2   7  o 211.986 5.2691  5481.56    271.022  6011.30    385.095  4961.69    381.496  221.484 7.1657  201.030 7.8210  20.45450       10.60738 
1 1 1 -18 2   8  o 80.743  4.2354  795.878    82.689   1033.70    126.417  618.045    109.317  91.840  5.7011  70.803  6.4333  21.03697       8.595912 
1 1 1 -18 2   9  o 211.960 5.2108  5479.56    267.993  6088.44    381.121  4884.05    376.912  222.937 7.0456  199.460 7.7879  23.47731       10.50197 
1 1 1 -18 2   10 o 96.007  4.1524  1122.04    96.730   1348.97    144.893  939.576    129.922  104.959 5.7109  87.466  6.1612  17.49293       8.400852 
1 1 1 -18 2   11 o 129.900 4.1316  2054.03    130.223  2156.91    189.336  1961.68    179.393  132.886 5.8720  126.735 5.8337  6.151314       8.277276 
1 1 1 -18 2   12 o 132.098 5.3789  2129.14    172.407  2519.10    294.443  1925.69    212.679  142.827 8.5353  125.185 7.0302  17.64264       11.05783 
1 1 1 -18 2   13 o 108.566 9.0035  1462.47    235.035  0.0000     0.0000   1462.47    235.035  ?       ?       108.566 9.0035  0.000000       9.003488 
1 1 1 -18 2   14 o 79.710  9.3029  794.223    176.542  0.0000     0.0000   794.223    176.542  ?       ?       79.710  9.3029  0.000000       9.302920 
1 1 1 -18 2   15 o 113.296 9.0371  1592.52    246.365  0.0000     0.0000   1592.52    246.365  ?       ?       113.296 9.0371  0.000000       9.037122 
1 1 1 -18 2   16 o 24.222  7.4520  71.955     48.072   19.635     113.008  83.514     53.117   25.901  10.806  25.955  7.8024  -0.5347633E-01 13.32815 
1 1 1 -18 2   17 o 80.794  4.0828  796.688    79.778   910.679    120.531  707.811    106.428  86.148  5.8000  75.896  5.8237  10.25124       8.219163 
1 1 1 -18 2   18 o 202.228 5.0451  4988.28    247.559  5092.90    350.574  4884.22    349.629  203.806 7.0892  199.547 7.2210  4.258545       10.11931 
1 1 1 -18 2   19 o 128.760 4.0591  2018.58    126.815  2096.55    179.978  1941.69    178.717  131.003 5.6621  126.044 5.8436  4.959091       8.136731 
1 1 1 -18 2   20 o 224.168 5.3557  6135.56    291.309  5731.70    412.467  6537.50    411.482  215.868 7.8747  230.747 7.3494  -14.87856      10.77149 
1 1 1 -18 2   21 o 205.670 5.0792  5162.47    253.472  5561.53    359.087  4766.17    357.843  212.921 6.9505  196.934 7.4887  15.98692       10.21719 
1 1 1 -18 2   22 o 309.424 9.9182  11891.48   744.648  11054.93   1089.47  12624.94   1020.13  293.288 15.363  315.903 13.309  -22.61530      20.32580 
1 1 1 -18 2   23 f 216.159 7.5721  5751.28    397.149  5783.39    598.356  5726.00    530.970  214.455 11.541  214.430 10.205  0.2545166E-01  15.40619 
1 1 1 -18 2   24 o 71.538  6.7523  633.901    115.821  568.419    191.330  671.775    145.511  66.136  12.378  73.283  8.3315  -7.146515      14.92059 
1 1 1 -18 2   25 f 49.762  4.9429  305.477    58.892   291.152    78.239   324.204    89.456   48.191  6.8869  50.764  7.4873  -2.573616      10.17296 
1 1 1 -18 2   26 o 89.683  4.1215  981.056    89.686   817.841    124.768  1155.56    129.010  81.341  6.3726  96.977  5.5054  -15.63598      8.421377 
1 1 1 -18 2   27 o 40.942  5.5250  209.150    53.485   198.418    70.518   223.685    82.067   39.396  7.6528  41.718  8.3980  -2.322006      11.36187 
1 1 1 -18 2   28 o 62.498  4.4578  479.946    67.156   504.989    92.396   451.900    97.779   63.787  6.0418  60.118  6.8241  3.668755       9.114336 
1 1 1 -18 2   29 o 63.006  4.4283  488.098    67.268   463.466    91.208   517.476    99.609   60.982  6.2525  64.415  6.4601  -3.433525      8.990357 
1 1 1 -18 2   30 o 58.689  4.4074  424.187    62.305   446.054    84.590   398.257    92.115   59.848  5.9020  56.249  6.8935  3.598965       9.074871 
1 1 1 -18 2   31 o 142.783 4.4190  2500.00    153.097  2453.87    216.619  2546.03    216.405  140.666 6.3466  143.344 6.2219  -2.677628      8.887756 
1 1 1 -18 2   32 o 47.696  4.9861  283.097    56.852   281.018    77.455   285.526    83.709   46.958  7.0129  47.162  7.5712  -0.2045174     10.32001 
1 1 1 -18 2   33 o 82.733  4.2150  842.506    84.334   754.264    116.203  940.708    122.585  77.606  6.2233  86.871  5.8497  -9.264679      8.541023 
1 1 1 -18 2   34 o 64.636  4.3665  516.276    68.080   413.368    93.061   634.768    99.859   57.016  6.8648  71.220  5.8297  -14.20402      9.006137 
1 1 1 -18 2   35 o 37.104  7.4231  179.932    64.496   242.253    79.350   58.602     110.716  43.032  7.8904  27.124  10.932  15.90729       13.48236 
1 1 1 -18 2   36 o 63.906  5.6542  512.825    86.770   471.172    104.818  603.521    154.671  60.570  7.2777  67.284  9.7587  -6.714233      12.17361 
1 1 1 -18 2   37 o 17.287  6.7657  24.266     41.216   -26.6559   53.318   99.876     64.970   14.970  6.7884  27.697  8.6869  -12.72735      11.02470 
1 1 1 -18 2   38 o 59.400  5.0554  441.498    72.170   298.307    100.931  591.298    103.234  47.071  9.1668  68.263  6.3038  -21.19272      11.12516 
1 1 1 -18 2   39 o 13.814  6.3883  -37.5006   50.440   -76.3808   69.259   6.4117     73.605   14.953  7.0933  19.937  8.5362  -4.984103      11.09872 
1 1 1 -18 2   40 o 59.622  5.0988  445.866    73.053   433.388    102.026  458.994    104.650  57.730  7.4580  59.454  7.4155  -1.724380      10.51720 
1 1 1 -18 2   41 o 45.694  9.1463  284.068    97.869   478.735    189.738  213.500    114.239  56.124  13.984  38.665  11.400  17.45942       18.04192 
1 1 1 -18 2   42 o 21.130  8.9763  15.327     80.240   -63.3281   152.894  45.225     94.264   24.372  11.218  24.432  9.9981  -0.5989838E-01 15.02663 
1 1 1 -18 2   43 o 21.028  7.9754  45.665     56.016   -49.9206   77.050   152.824    81.581   17.066  7.8935  33.098  9.5983  -16.03201      12.42716 
1 1 1 -18 2   44 o 21.178  7.9806  48.005     55.863   -16.3963   76.543   121.400    81.714   18.634  8.3167  29.759  9.7814  -11.12567      12.83917 
1 1 1 -18 2   45 o 56.520  5.4332  407.830    73.594   361.568    103.755  454.670    104.402  51.327  8.6378  58.430  7.5398  -7.102879      11.46564 
1 1 1 -18 2   46 o 27.169  8.1854  101.488    58.412   62.547     79.991   145.976    85.498   24.115  9.4289  31.846  9.9614  -7.730949      13.71621 
1 1 1 -18 2   47 o 43.570  6.3470  250.367    65.128   253.149    89.656   247.259    94.767   42.197  9.0296  41.277  9.6370  0.9195938      13.20628 
1 1 1 -18 2   48 o 31.913  8.9371  146.809    71.955   142.438    87.182   156.148    127.435  31.116  10.097  32.299  12.077  -1.182379      15.74183 
1 1 1 -18 2   49 o 22.221  8.2787  59.372     59.779   -34.3217   76.151   209.823    96.498   17.299  7.9455  37.164  10.329  -19.86515      13.03156 
1 1 1 -18 2   50 o 24.037  9.1177  70.955     73.218   64.362     82.827   94.528     156.617  24.034  9.5331  29.256  12.487  -5.222227      15.71014 
1 1 1 -18 2   51 o 16.533  7.6148  -35.3842   70.609   -19.7184   80.666   -86.7194   146.023  18.515  8.3771  21.919  10.369  -3.403770      13.33014 
1 1 1 -18 2   52 o 15.916  7.0619  -8.2695    54.362   67.206     67.782   -144.3465  91.013   23.425  8.7981  15.133  7.4055  8.292477       11.49989 
1 1 1 -18 2   53 o 24.642  8.3776  82.448     59.870   79.981     75.840   86.527     97.531   24.960  9.3197  26.421  10.387  -1.461039      13.95551 
1 1 1 -18 2   54 o 22.558  10.056  6.6310     111.551  -157.5418  211.417  69.970     131.318  24.264  11.738  26.849  11.446  -2.584875      16.39508 
1 1 1 -18 2   55 o 23.652  10.315  33.366     111.431  181.294    216.444  -19.9810   129.979  33.397  14.471  22.619  10.386  10.77811       17.81230 
1 1 1 -18 3   1  o 140.776 5.8109  2420.68    198.490  2420.68    198.490  0.0000     0.0000   140.776 5.8109  ?       ?       0.000000       5.810947 
1 1 1 -18 3   2  o 141.799 5.8132  2455.90    200.011  2455.90    200.011  0.0000     0.0000   141.799 5.8132  ?       ?       0.000000       5.813200 
1 1 1 -18 3   3  o 189.783 5.3517  4394.55    246.441  4722.09    308.253  3814.36    410.259  196.472 6.4661  175.436 9.6751  21.03632       11.63694 
1 1 1 -18 3   4  o 140.521 4.2985  2404.38    146.561  2798.02    211.088  2037.99    203.650  151.371 5.7472  128.904 6.5324  22.46748       8.700742 
1 1 1 -18 3   5  o 150.036 4.3534  2741.23    158.484  3082.57    226.457  2413.58    221.874  158.860 5.8750  140.461 6.5101  18.39944       8.769075 
1 1 1 -18 3   6  o 104.519 4.0662  1329.65    103.120  1506.67    149.789  1170.16    142.177  110.963 5.5812  97.679  6.0283  13.28371       8.215208 
1 1 1 -18 3   7  o 245.388 5.7792  7353.37    344.099  8097.36    487.759  6616.25    485.506  256.803 7.8278  231.834 8.6308  24.96925       11.65187 
1 1 1 -18 3   8  o 242.035 5.7273  7152.96    336.349  7915.16    477.159  6400.20    474.195  253.930 7.7444  228.040 8.5700  25.88924       11.55077 
1 1 1 -18 3   9  o 98.037  4.0806  1169.87    97.067   1270.57    143.434  1084.79    131.845  101.833 5.8292  94.072  5.8045  7.760994       8.226295 
1 1 1 -18 3   10 o 155.954 4.4001  2962.03    166.505  3192.28    238.428  2742.85    232.626  161.623 6.0798  149.755 6.4019  11.86768       8.828892 
1 1 1 -18 3   11 o 157.271 4.4517  3012.57    169.881  3584.29    243.670  2471.88    236.966  171.301 5.8624  142.076 6.8739  29.22470       9.034290 
1 1 1 -18 3   12 o 189.543 7.0354  4401.67    323.564  4724.18    436.345  4007.71    482.271  195.690 9.1896  179.225 11.145  16.46477       14.44516 
1 1 1 -18 3   13 o 90.633  9.3303  1024.07    202.252  0.0000     0.0000   1024.07    202.252  ?       ?       90.633  9.3303  0.000000       9.330288 
1 1 1 -18 3   14 o 133.558 9.2462  2211.47    297.793  0.0000     0.0000   2211.47    297.793  ?       ?       133.558 9.2462  0.000000       9.246173 
1 1 1 -18 3   15 o 118.783 9.0947  1750.39    260.133  0.0000     0.0000   1750.39    260.133  ?       ?       118.783 9.0947  0.000000       9.094706 
1 1 1 -18 3   16 o 73.548  4.2955  660.993    76.323   735.015    115.913  604.338    101.408  77.280  6.2347  70.062  6.0238  7.217484       8.669340 
1 1 1 -18 3   17 o 54.302  4.2825  361.332    55.968   308.782    79.903   411.949    78.419   49.761  6.7953  57.804  5.6639  -8.043293      8.846227 
1 1 1 -18 3   18 o 83.627  3.8885  851.221    78.904   933.800    112.122  770.202    111.058  87.307  5.3180  79.179  5.8215  8.128113       7.884871 
1 1 1 -18 3   19 o 29.464  7.4269  110.723    53.079   112.301    74.137   109.064    76.029   30.114  9.2526  29.848  9.4029  0.2665596      13.19182 
1 1 1 -18 3   20 o 69.548  4.3365  591.607    72.816   552.413    99.415   636.970    106.951  66.907  6.1940  71.885  6.1922  -4.978188      8.758382 
1 1 1 -18 3   21 o 71.882  6.5514  638.353    113.012  933.360    186.832  468.129    141.920  86.431  9.0427  60.660  9.9901  25.77058       13.47485 
1 1 1 -18 3   22 o 183.410 7.0253  4131.47    312.643  3882.64    478.581  4316.72    412.934  175.792 11.279  186.700 9.1153  -10.90773      14.50226 
1 1 1 -18 3   23 o 207.004 7.5277  5276.77    378.100  4833.00    570.560  5624.25    504.873  195.510 12.087  212.628 9.7858  -17.11806      15.55144 
1 1 1 -18 3   24 o 90.215  4.5466  995.660    99.204   1014.16    124.087  962.896    165.148  90.847  5.6574  88.001  7.8157  2.846092       9.648345 
1 1 1 -18 3   25 o 15.014  6.4665  -3.5281    42.698   6.5863     53.353   -21.5459   71.210   17.633  7.3955  18.323  8.1086  -0.6905556     10.97464 
1 1 1 -18 3   26 o 106.450 4.1635  1382.87    107.539  1487.28    151.711  1277.43    152.459  109.971 5.7052  101.767 6.2038  8.203598       8.428322 
1 1 1 -18 3   27 o 18.237  7.1559  24.636     46.201   34.482     60.717   11.094     71.207   21.038  8.2178  20.424  8.5539  0.6136551      11.86173 
1 1 1 -18 3   28 o 81.073  4.6638  807.340    91.357   782.125    114.423  851.679    151.731  79.479  5.9771  82.436  7.6739  -2.956947      9.726942 
1 1 1 -18 3   29 o 68.898  4.3255  583.234    71.944   559.748    98.744   609.809    105.037  67.064  6.1362  69.990  6.2508  -2.925476      8.759308 
1 1 1 -18 3   30 o 19.006  7.2249  32.590     46.038   16.422     60.368   55.062     71.171   19.321  7.9647  23.874  9.0054  -4.553503      12.02219 
1 1 1 -18 3   31 o 73.152  4.2729  658.353    75.513   604.228    103.411  720.183    110.526  69.534  6.1941  76.009  6.0428  -6.475006      8.653399 
1 1 1 -18 3   32 o 36.509  5.9619  169.427    50.990   129.487    66.558   226.174    79.335   31.400  8.5192  41.642  8.1436  -10.24202      11.78543 
1 1 1 -18 3   33 o 91.295  4.1844  1023.90    92.692   909.992    130.128  1141.22    132.064  85.169  6.3423  95.713  5.7126  -10.54394      8.535734 
1 1 1 -18 3   34 o 37.486  7.1715  182.602    62.852   124.084    74.171   331.656    118.374  30.697  9.2181  49.562  10.184  -18.86513      13.73632 
1 1 1 -18 3   35 o 27.199  8.2727  96.144     59.458   184.056    70.646   -117.3878  110.102  37.301  8.0422  18.805  8.9276  18.49612       12.01574 
1 1 1 -18 3   36 o 41.992  6.6563  227.210    65.559   224.510    78.949   233.206    117.665  41.168  8.1918  40.798  11.430  0.3694382      14.06206 
1 1 1 -18 3   37 o 30.637  7.5743  124.541    55.987   178.085    80.913   75.358     77.548   36.215  9.1922  25.773  9.4607  10.44220       13.19098 
1 1 1 -18 3   38 o 37.578  7.4611  186.137    65.631   215.254    91.471   155.242    94.222   39.636  9.6105  33.731  10.442  5.904705       14.19143 
1 1 1 -18 3   39 o 46.396  6.1224  275.236    67.241   268.475    91.814   283.056    98.750   44.682  8.7817  45.694  9.2244  -1.012051      12.73605 
1 1 1 -18 3   40 o 108.085 6.5236  1486.71    170.285  1921.63    293.992  1267.13    208.895  118.977 10.285  97.820  8.8984  21.15722       13.60006 
1 1 1 -18 3   41 o 14.937  7.1912  -104.7838  77.060   -115.7803  138.754  -99.8793   92.664   21.509  10.154  17.128  8.1486  4.380314       13.01971 
1 1 1 -18 3   42 o 71.911  7.2665  673.313    125.049  1169.16    230.589  466.735    148.836  91.748  10.550  57.206  11.123  34.54206       15.33064 
1 1 1 -18 3   43 o 69.828  4.8735  612.921    82.055   597.940    114.707  628.620    117.427  67.680  7.0903  69.421  7.0699  -1.741570      10.01277 
1 1 1 -18 3   44 o 59.638  5.2736  451.904    75.526   432.333    103.479  474.214    110.486  56.932  7.6875  59.558  7.8356  -2.626553      10.97700 
1 1 1 -18 3   45 o 43.211  6.4135  245.214    65.204   317.048    90.200   166.594    94.365   48.319  7.9715  33.795  10.448  14.52412       13.14171 
1 1 1 -18 3   46 o 23.553  8.3115  70.557     59.160   42.769     83.518   98.540     83.812   22.814  9.3821  27.261  9.8613  -4.447245      13.61140 
1 1 1 -18 3   47 o 56.791  5.6923  417.615    77.383   346.838    103.163  508.671    117.012  49.550  8.9080  60.866  8.1261  -11.31518      12.05758 
1 1 1 -18 3   48 o 27.543  8.5260  107.134    62.818   72.901     81.266   157.956    99.016   24.695  9.5457  32.310  10.774  -7.614857      14.39481 
1 1 1 -18 3   49 o 20.029  8.4802  22.299     71.227   -28.5618   80.446   206.833    153.233  18.057  8.2459  35.280  13.233  -17.22337      15.59164 
1 1 1 -18 3   50 o 25.420  9.2138  86.250     73.219   98.342     84.736   50.612     145.467  26.866  9.8853  26.772  11.727  0.9411621E-01  15.33780 
1 1 1 -18 3   51 o 25.976  8.4029  94.133     60.410   81.267     78.056   113.351    95.394   25.168  9.4435  28.399  10.482  -3.230829      14.10867 
1 1 1 -18 3   52 o 20.300  7.9528  42.105     56.990   96.964     73.468   -40.7791   90.304   26.481  9.2685  18.583  8.5776  7.897886       12.62853 
1 1 1 -18 3   53 o 20.623  9.0506  8.3543     86.996   -71.4975   239.252  20.521     93.389   27.468  13.075  21.866  9.4900  5.601931       16.15587 
1 1 1 -18 3   54 o 28.966  10.515  123.502    95.410   94.231     250.052  128.490    103.219  31.463  14.431  29.445  10.897  2.018255       18.08304 
1 1 1 -18 3   55 o 19.651  8.9084  -13.9009   91.738   -193.6949  236.462  17.956     99.535   24.340  11.917  21.885  9.6405  2.454966       15.32803 
1 1 1 -18 4   1  o 165.930 6.2512  3366.74    251.683  3366.74    251.683  0.0000     0.0000   165.930 6.2512  ?       ?       0.000000       6.251206 
1 1 1 -18 4   2  o 76.495  4.2011  714.543    77.678   736.460    110.122  692.839    109.586  77.421  5.9066  75.053  6.0696  2.368195       8.469245 
1 1 1 -18 4   3  o 37.030  6.8652  173.173    59.413   299.535    91.201   80.009     78.310   48.769  7.9834  27.119  9.5633  21.65012       12.45760 
1 1 1 -18 4   4  o 146.928 4.2748  2628.58    152.400  2856.01    217.568  2409.49    213.539  152.908 5.8641  140.379 6.2692  12.52899       8.584289 
1 1 1 -18 4   5  o 109.340 4.0081  1455.03    106.336  1534.03    153.911  1382.88    147.086  111.947 5.6849  106.267 5.7255  5.679810       8.068383 
1 1 1 -18 4   6  o 189.729 4.9373  4388.29    227.294  4682.97    321.547  4094.00    321.336  195.580 6.7757  182.750 7.2467  12.83058       9.920916 
1 1 1 -18 4   7  o 200.090 4.9980  4881.25    242.654  5351.56    343.954  4415.23    342.380  209.075 6.7801  189.732 7.4371  19.34300       10.06378 
1 1 1 -18 4   8  o 180.745 4.8391  3981.79    212.225  4394.92    302.076  3579.12    298.225  189.521 6.5689  170.885 7.1924  18.63591       9.740749 
1 1 1 -18 4   9  o 96.178  3.9269  1125.68    91.640   1415.26    135.567  882.017    124.354  107.719 5.1868  84.739  6.0886  22.97952       7.998360 
1 1 1 -18 4   10 o 138.262 4.1888  2327.33    140.527  2899.78    203.098  1801.57    194.641  154.149 5.4300  121.149 6.6468  33.00057       8.582845 
1 1 1 -18 4   11 o 30.117  9.6170  109.973    79.324   268.882    114.342  -37.4672   110.139  45.690  10.530  22.588  10.036  23.10276       14.54621 
1 1 1 -18 4   12 o 75.919  9.2867  721.391    167.503  0.0000     0.0000   721.391    167.503  ?       ?       75.919  9.2867  0.000000       9.286676 
1 1 1 -18 4   13 o 156.370 9.6811  3033.88    365.514  0.0000     0.0000   3033.88    365.514  ?       ?       156.370 9.6811  0.000000       9.681149 
1 1 1 -18 4   14 o 151.747 9.6118  2857.42    352.079  0.0000     0.0000   2857.42    352.079  ?       ?       151.747 9.6118  0.000000       9.611771 
1 1 1 -18 4   15 o 219.296 5.2941  5868.44    281.702  6318.15    400.294  5427.20    396.506  226.962 7.2688  210.187 7.7746  16.77470       10.64331 
1 1 1 -18 4   16 o 286.805 6.3178  10063.72   439.658  9950.43    621.323  10177.34   622.217  283.957 9.0178  287.224 8.9281  -3.267487      12.68982 
1 1 1 -18 4   17 o 205.937 5.0914  5173.99    254.411  5142.96    359.282  5205.19    360.303  204.740 7.2322  205.983 7.2090  -1.242523      10.21142 
1 1 1 -18 4   18 f 44.866  5.2017  248.909    55.577   200.586    73.232   314.542    85.346   39.716  7.8775  50.133  7.2247  -10.41715      10.68883 
1 1 1 -18 4   19 o 66.550  4.4773  542.170    71.878   411.267    98.578   690.767    105.030  57.445  7.2326  74.947  5.8212  -17.50179      9.284265 
1 1 1 -18 4   20 f 87.803  6.0250  947.666    127.584  1891.19    213.735  425.365    159.023  123.910 7.1392  57.293  11.831  66.61673       13.81805 
1 1 1 -18 4   21 o 68.136  6.9144  575.527    112.729  288.595    186.376  741.056    141.559  47.404  14.688  77.235  7.6544  -29.83150      16.56266 
1 1 1 -18 4   22 o 161.431 6.5104  3196.61    255.012  3305.32    396.492  3119.92    333.034  162.618 10.098  158.583 8.6881  4.035278       13.32145 
1 1 1 -18 4   23 o 147.905 6.4563  2684.84    231.702  2507.61    362.031  2807.80    301.549  141.192 10.646  150.480 8.2908  -9.287628      13.49329 
1 1 1 -18 4   24 o 88.836  4.0725  962.210    87.784   847.293    121.815  1086.36    126.614  82.891  6.0995  94.029  5.5744  -11.13854      8.263007 
1 1 1 -18 4   25 o 42.040  5.7930  220.717    57.523   129.132    77.112   335.616    86.371   31.864  9.3580  51.718  7.0678  -19.85369      11.72714 
1 1 1 -18 4   26 f 15.617  6.6300  1.5337     43.726   34.587     55.485   -52.6387   71.033   20.441  7.8913  16.572  7.6345  3.868759       10.97992 
1 1 1 -18 4   27 o 86.537  4.1247  914.855    86.609   935.773    121.522  893.261    123.468  87.047  5.7866  84.974  6.0274  2.073105       8.355513 
1 1 1 -18 4   28 f 58.854  4.5608  426.688    64.622   419.292    87.509   435.558    95.837   57.937  6.3278  58.925  6.8296  -0.9889488     9.310448 
1 1 1 -18 4   29 o 40.550  5.4441  205.948    52.213   279.382    70.093   114.401    78.261   47.125  6.2867  30.121  9.5454  17.00433       11.42971 
1 1 1 -18 4   30 o 29.099  7.3297  109.884    51.725   112.488    61.448   103.553    95.816   29.449  8.2630  29.827  10.572  -0.3779640     13.41801 
1 1 1 -18 4   31 o 83.944  4.1917  864.384    85.377   875.816    119.859  852.610    121.644  83.843  5.9300  82.653  6.1088  1.189743       8.513617 
1 1 1 -18 4   32 o 84.218  4.1728  870.932    85.271   864.906    119.551  877.173    121.660  83.213  5.9605  83.778  6.0251  -0.5648041     8.475266 
1 1 1 -18 4   33 o 61.240  4.5040  464.391    66.456   424.249    91.139   509.968    97.113   57.841  6.6127  63.566  6.3825  -5.724758      9.190399 
1 1 1 -18 4   34 o 24.385  7.9936  74.024     54.586   110.713    63.488   -29.9706   106.890  29.014  8.4828  21.866  9.7887  7.147623       12.95280 
1 1 1 -18 4   35 o 18.037  7.2965  20.486     49.516   65.878     56.869   -121.7860  100.679  23.525  8.1590  17.533  8.3833  5.991196       11.69823 
1 1 1 -18 4   36 f 67.536  4.3889  565.572    71.530   594.898    98.328   532.607    104.249  68.660  5.9613  64.588  6.7519  4.071404       9.006940 
1 1 1 -18 4   37 o 36.531  7.3313  175.647    62.726   271.289    85.814   65.924     91.915   45.294  8.1060  25.967  10.120  19.32678       12.96605 
1 1 1 -18 4   38 o 67.266  5.0254  565.821    81.429   506.475    110.341  636.795    120.667  62.534  7.4166  70.338  7.1706  -7.803055      10.31616 
1 1 1 -18 4   39 f 19.551  7.8188  28.832     56.155   -16.3018   76.615   81.226     82.546   18.866  8.3765  26.475  9.7544  -7.609381      12.85749 
1 1 1 -18 4   40 o 27.926  10.008  96.528     86.092   -39.6115   173.307  141.130    99.198   26.834  12.196  32.266  10.785  -5.432079      16.28003 
1 1 1 -18 4   41 o 15.293  7.3161  -93.4307   76.904   -276.1136  160.926  -39.3635   87.547   19.631  9.6553  18.917  8.6246  0.7135983      12.94636 
1 1 1 -18 4   42 o 43.756  6.4942  249.258    66.857   286.469    93.441   210.227    95.698   45.818  8.7236  38.450  10.120  7.367702       13.36081 
1 1 1 -18 4   43 o 19.819  7.8265  34.602     55.598   -10.1142   77.420   82.222     79.894   19.074  8.4471  26.000  9.5936  -6.925768      12.78244 
1 1 1 -18 4   44 o 33.750  7.7841  156.005    62.444   184.566    85.810   123.857    91.038   35.877  9.6478  29.925  10.326  5.951904       14.13197 
1 1 1 -18 4   45 f 50.637  5.7665  331.545    69.587   430.353    97.862   230.488    98.970   56.804  7.2668  39.585  10.230  17.21814       12.54836 
1 1 1 -18 4   46 o 12.034  5.8462  -83.8682   53.850   -120.9711  71.115   -33.9995   82.446   13.367  6.5422  18.167  8.3157  -4.800310      10.58072 
1 1 1 -18 4   47 o 21.177  8.1871  48.255     59.787   26.598     77.318   80.463     94.289   20.980  8.8564  25.976  10.213  -4.995676      13.51821 
1 1 1 -18 4   48 o 30.849  8.1979  135.369    62.411   174.263    83.072   84.968     94.566   34.251  9.6066  26.207  10.251  8.043346       14.04854 
1 1 1 -18 4   49 o 29.648  9.5871  128.775    78.643   183.078    89.108   -62.5274   167.250  34.807  10.013  24.049  11.290  10.75821       15.09064 
1 1 1 -18 4   50 o 16.195  7.4488  -33.3392   67.253   -92.2601   75.186   202.518    150.426  14.760  7.1053  34.959  13.111  -20.19923      14.91272 
1 1 1 -18 4   51 o 18.339  7.6500  20.327     56.632   4.3953     74.748   41.795     86.769   19.220  8.4132  22.696  9.4685  -3.475914      12.66624 
1 1 1 -18 4   52 o 53.661  5.7549  376.009    73.760   348.115    103.391  404.922    105.260  49.258  8.9815  53.748  8.3416  -4.490185      12.25765 
1 1 1 -18 4   53 o 58.939  9.2264  502.602    127.620  559.998    282.504  487.886    143.048  48.282  17.995  56.376  10.851  -8.094059      21.01374 
1 1 1 -18 4   54 o 52.133  9.6278  404.868    117.302  404.583    278.272  404.930    129.357  40.871  16.995  50.903  10.807  -10.03257      20.14061 
1 1 1 -18 5   1  o 13.167  5.9810  -25.1167   41.611   -105.9185  59.494   52.257     58.219   12.540  6.1040  22.655  8.2153  -10.11538      10.23476 
1 1 1 -18 5   2  f 17.840  7.0360  21.868     44.881   89.465     68.305   -29.4902   59.538   27.410  8.9398  16.107  7.2505  11.30350       11.51038 
1 1 1 -18 5   3  o 54.429  4.6560  363.585    60.898   402.279    95.116   336.705    79.277   56.880  7.0423  52.084  6.4082  4.795582       9.521522 
1 1 1 -18 5   4  o 52.450  6.2215  340.946    77.633   568.223    110.827  121.977    108.782  67.787  6.8312  32.727  11.288  35.05993       13.19420 
1 1 1 -18 5   5  o 221.178 5.2774  5968.05    283.218  6548.82    400.536  5387.31    400.527  231.157 7.1412  209.427 7.8820  21.72997       10.63587 
1 1 1 -18 5   6  o 110.625 4.1385  1489.79    111.085  1705.03    158.695  1283.00    155.548  118.188 5.5338  102.241 6.3008  15.94665       8.385909 
1 1 1 -18 5   7  o 100.970 4.1254  1241.06    101.071  1350.82    147.060  1142.81    139.140  105.010 5.7941  96.531  5.9698  8.479393       8.319228 
1 1 1 -18 5   8  o 204.829 5.1127  5116.69    254.101  5601.77    359.892  4634.50    358.815  213.851 6.9358  194.324 7.6099  19.52626       10.29642 
1 1 1 -18 5   9  o 48.509  5.2905  290.434    61.261   442.924    95.631   184.304    79.780   59.788  6.7077  37.937  8.8321  21.85091       11.09050 
1 1 1 -18 5   10 o 60.042  6.9047  447.206    98.761   422.741    125.136  487.615    160.822  57.855  9.2238  61.746  11.144  -3.891582      14.46628 
1 1 1 -18 5   11 o 29.446  11.028  82.255     106.355  0.0000     0.0000   82.255     106.355  ?       ?       29.446  11.028  0.000000       11.02830 
1 1 1 -18 5   12 o 15.919  7.5632  -98.1933   79.306   0.0000     0.0000   -98.1933   79.306   ?       ?       15.919  7.5632  0.000000       7.563155 
1 1 1 -18 5   13 o 174.595 10.148  3788.87    428.056  0.0000     0.0000   3788.87    428.056  ?       ?       174.595 10.148  0.000000       10.14801 
1 1 1 -18 5   14 o 288.678 7.2998  10222.91   511.312  11033.16   633.771  8712.26    865.375  299.191 8.7301  262.613 13.628  36.57803       16.18413 
1 1 1 -18 5   15 o 111.243 3.9341  1506.28    106.188  1477.83    150.070  1534.81    150.277  109.854 5.6492  112.114 5.5242  -2.258995      7.901260 
1 1 1 -18 5   16 o 61.869  4.0988  468.093    61.182   434.641    87.097   500.679    85.962   59.303  6.1419  63.783  5.6116  -4.479351      8.319390 
1 1 1 -18 5   17 o 152.385 4.4824  2829.75    165.738  2890.94    234.428  2768.60    234.349  153.695 6.2862  150.379 6.4226  3.315811       8.986963 
1 1 1 -18 5   18 o 121.001 4.1908  1783.38    123.039  1789.68    174.903  1777.19    173.119  120.968 5.9589  120.552 5.9184  0.4162979      8.398550 
1 1 1 -18 5   19 o 160.685 4.5409  3147.70    177.042  3120.41    249.591  3175.34    251.168  159.595 6.4453  160.998 6.4296  -1.402496      9.103921 
1 1 1 -18 5   20 o 161.236 6.6792  3188.60    261.307  2720.87    401.819  3531.36    343.975  147.047 11.350  169.154 8.3807  -22.10681      14.10860 
1 1 1 -18 5   21 o 34.795  9.8343  154.649    86.712   134.270    145.758  165.812    107.878  35.560  12.983  36.313  11.162  -0.7531395     17.12145 
1 1 1 -18 5   22 o 107.039 6.1758  1409.11    159.716  1232.81    257.116  1519.89    203.807  98.655  10.924  110.794 7.6277  -12.13891      13.32382 
1 1 1 -18 5   23 o 105.498 4.1540  1357.18    106.334  1281.24    148.830  1436.36    151.977  102.044 6.0378  108.118 5.8145  -6.073891      8.382355 
1 1 1 -18 5   24 o 42.905  5.7525  229.600    58.378   156.764    78.353   320.485    87.524   34.848  9.1497  50.456  7.3661  -15.60829      11.74635 
1 1 1 -18 5   25 o ?       ?       -195.0975  33.557   -195.3450  40.806   -194.5805  58.978   ?       ?       10.049  5.0732  0.000000       5.073213 
1 1 1 -18 5   26 o 74.762  4.1916  684.925    75.730   693.498    104.945  675.611    109.389  74.887  5.8213  73.824  6.1631  1.062248       8.477706 
1 1 1 -18 5   27 o 76.616  4.2174  719.884    78.101   641.310    107.361  808.204    113.824  71.837  6.2208  80.809  5.8446  -8.971848      8.535617 
1 1 1 -18 5   28 o 53.749  4.7237  356.984    60.980   284.146    82.311   445.599    90.788   47.231  7.4274  59.691  6.3666  -12.45964      9.782658 
1 1 1 -18 5   29 o 30.259  6.6732  118.051    47.678   196.442    62.314   7.3585     74.047   39.222  6.7938  20.390  8.6404  18.83197       10.99152 
1 1 1 -18 5   30 o 98.070  4.1453  1179.14    98.642   1156.56    138.139  1202.62    140.905  96.431  5.9326  98.339  5.9330  -1.907745      8.390240 
1 1 1 -18 5   31 f 52.222  4.7990  338.712    60.129   283.162    81.897   403.676    88.564   46.928  7.4406  56.512  6.5822  -9.583633      9.934118 
1 1 1 -18 5   32 o 23.566  7.4955  69.484     48.222   22.723     63.901   131.339    73.494   20.145  8.2365  31.528  9.1007  -11.38287      12.27448 
1 1 1 -18 5   33 o 44.145  6.8134  250.299    70.632   310.331    82.885   91.089     134.980  49.119  7.1654  30.788  12.183  18.33102       14.13405 
1 1 1 -18 5   34 o 34.024  7.6583  152.880    61.699   165.451    72.641   120.325    116.896  35.160  8.5885  31.641  11.615  3.518545       14.44576 
1 1 1 -18 5   35 o 23.090  7.9871  63.672     54.481   77.499     63.134   23.346     107.817  25.142  8.6027  24.580  10.422  0.5619602      13.51365 
1 1 1 -18 5   36 o 48.311  5.9475  296.747    68.246   308.261    94.035   283.933    99.201   48.255  8.3324  45.853  9.2356  2.402348       12.43889 
1 1 1 -18 5   37 o 42.305  6.5970  231.201    65.509   239.898    90.060   221.428    95.464   42.076  9.0871  40.073  9.8805  2.003658       13.42385 
1 1 1 -18 5   38 f 22.240  8.1875  54.227     58.140   93.366     80.255   10.999     84.343   27.463  9.6817  21.409  9.1514  6.053448       13.32233 
1 1 1 -18 5   39 o 22.475  9.4339  24.399     86.927   -80.4464   166.311  63.808     101.964  25.013  11.579  26.370  10.539  -1.356867      15.65740 
1 1 1 -18 5   40 o 61.094  7.7437  490.438    112.215  510.588    214.875  482.881    131.584  56.453  15.303  59.573  9.4161  -3.120419      17.96811 
1 1 1 -18 5   41 o 35.119  8.3423  168.407    70.033   238.094    93.064   77.418     106.341  41.334  9.4809  27.342  10.816  13.99141       14.38278 
1 1 1 -18 5   42 o 33.143  7.6123  148.764    59.927   120.383    84.780   177.106    84.720   29.722  9.9700  35.388  9.6159  -5.666391      13.85153 
1 1 1 -18 5   43 o 23.172  8.2041  66.308     57.687   51.220     80.247   82.443     82.987   23.381  9.3481  26.086  9.7472  -2.705168      13.50531 
1 1 1 -18 5   44 o 26.433  8.3702  95.179     60.186   136.595    81.000   44.125     89.931   30.960  9.6977  23.501  9.7079  7.458908       13.72183 
1 1 1 -18 5   45 o 27.324  8.2723  103.630    59.552   113.713    81.912   92.325     86.734   28.550  9.7983  26.782  9.9732  1.768669       13.98105 
1 1 1 -18 5   46 o 20.319  8.0118  40.294     58.178   -17.0744   78.700   109.421    86.390   18.527  8.3382  28.074  10.029  -9.546911      13.04252 
1 1 1 -18 5   47 o 35.201  7.7370  172.928    64.281   174.563    87.464   171.008    94.793   34.117  9.9512  33.522  10.489  0.5945969      14.45871 
1 1 1 -18 5   48 o 43.511  9.1136  274.389    93.135   275.097    108.309  272.381    182.456  42.368  10.570  38.634  14.450  3.733879       17.90306 
1 1 1 -18 5   49 o 21.317  8.7638  38.446     72.842   90.871     81.689   -165.0366  160.937  26.101  9.6869  21.000  10.180  5.101149       14.05215 
1 1 1 -18 5   50 o 17.968  7.5724  16.266     56.371   42.276     74.173   -19.2976   86.732   21.729  8.8779  19.174  8.6797  2.555817       12.41584 
1 1 1 -18 5   51 o 59.318  5.4299  455.227    77.286   499.835    107.103  406.764    111.635  60.602  7.4399  53.379  8.9350  7.222603       11.62696 
1 1 1 -18 5   52 o 28.276  10.481  113.368    95.581   478.514    243.953  47.150     103.887  46.915  16.843  24.111  10.227  22.80410       19.70489 
1 1 1 -18 5   53 o 34.934  10.759  193.368    100.169  39.451     253.593  221.822    109.035  30.002  14.026  37.059  11.187  -7.056866      17.94141 
1 1 1 -18 5   54 o 25.812  10.334  85.882     98.218   -340.3396  248.956  164.451    106.888  22.695  11.308  31.819  11.177  -9.124697      15.89985 
1 1 1 -18 6   1  o 155.937 4.4517  2962.12    168.437  2791.21    234.985  3142.72    241.562  151.043 6.4117  160.313 6.2101  -9.270432      8.926098 
1 1 1 -18 6   2  o 106.799 3.9885  1388.29    103.357  1428.18    148.161  1350.47    144.254  107.997 5.6739  105.009 5.6828  2.988892       8.030361 
1 1 1 -18 6   3  o ?       ?       -100.5788  15.046   -174.6170  56.059   -94.8314   15.619   10.044  5.0551  ?       ?       0.000000       5.055076 
1 1 1 -18 6   4  o 167.286 4.5964  3409.65    186.568  4006.14    265.960  2831.75    261.783  181.045 6.0543  152.003 7.0978  29.04227       9.329204 
1 1 1 -18 6   5  o ?       ?       -114.4239  28.660   -137.3716  98.533   -112.3030  29.956   17.214  8.2472  ?       ?       0.000000       8.247208 
1 1 1 -18 6   6  o 56.221  5.4835  389.406    73.852   651.285    139.994  288.424    86.932   72.353  8.1140  47.881  7.7472  24.47230       11.21856 
1 1 1 -18 6   7  o 18.104  7.2198  20.398     47.744   149.956    81.710   -46.7679   58.833   34.322  9.4925  15.004  6.9249  19.31751       11.74995 
1 1 1 -18 6   8  o 171.809 4.7512  3597.61    198.069  3878.07    280.837  3320.04    279.392  178.026 6.5014  164.610 6.9951  13.41621       9.549868 
1 1 1 -18 6   9  o ?       ?       -374.2331  72.734   -451.0477  91.379   -241.4230  120.154  ?       ?       17.102  8.3979  0.000000       8.397905 
1 1 1 -18 6   10 o 104.385 10.198  1362.08    254.986  0.0000     0.0000   1362.08    254.986  ?       ?       104.385 10.198  0.000000       10.19754 
1 1 1 -18 6   11 o 155.929 10.193  3025.04    383.534  0.0000     0.0000   3025.04    383.534  ?       ?       155.929 10.193  0.000000       10.19316 
1 1 1 -18 6   12 f 43.608  14.048  235.978    168.982  0.0000     0.0000   235.978    168.982  ?       ?       43.608  14.048  0.000000       14.04828 
1 1 1 -18 6   13 o 65.106  4.3101  518.510    67.703   497.337    105.590  533.291    88.225   63.328  6.9880  65.854  5.5737  -2.525505      8.938592 
1 1 1 -18 6   14 o 255.970 5.7942  8006.04    359.868  7917.01    508.575  8095.33    509.287  253.609 8.2647  256.485 8.1834  -2.876434      11.63074 
1 1 1 -18 6   15 o 301.060 6.6470  11101.87   485.556  11103.05   686.175  11100.69   687.186  299.629 9.4382  299.588 9.4534  0.4107666E-01  13.35833 
1 1 1 -18 6   16 o 181.050 4.7613  3996.83    209.165  3923.62    296.531  4069.34    295.083  178.909 6.8308  182.244 6.6731  -3.334671      9.549360 
1 1 1 -18 6   17 o 64.011  4.5599  501.949    70.359   441.478    98.092   566.026    100.976  59.613  6.9097  67.729  6.2136  -8.116051      9.292642 
1 1 1 -18 6   18 o 95.954  4.1960  1121.67    97.694   1035.29    137.971  1208.52    138.349  91.750  6.2345  99.253  5.7696  -7.502708      8.494565 
1 1 1 -18 6   19 o 238.546 8.0805  7014.61    467.706  6907.52    698.909  7101.46    629.410  233.967 12.355  238.491 10.877  -4.524551      16.46056 
1 1 1 -18 6   20 o 91.517  6.3650  1031.54    140.462  938.209    241.336  1079.34    172.732  85.649  11.937  93.308  7.6981  -7.659058      14.20426 
1 1 1 -18 6   21 o 54.174  8.0025  369.636    102.025  320.379    182.134  392.159    123.161  49.402  14.346  55.451  9.4953  -6.049236      17.20360 
1 1 1 -18 6   22 o 52.297  4.8837  336.976    61.254   335.049    81.623   339.461    92.678   51.810  6.6460  51.945  7.5760  -0.1348572     10.07797 
1 1 1 -18 6   23 o 72.717  4.3101  647.521    75.709   556.485    103.991  750.191    110.436  66.981  6.4795  77.994  5.8788  -11.01296      8.748961 
1 1 1 -18 6   24 o 111.308 4.0829  1511.89    110.270  1434.60    153.357  1594.63    158.669  107.936 5.8778  113.845 5.7628  -5.909363      8.231519 
1 1 1 -18 6   25 o 86.142  4.2134  906.474    88.067   842.186    122.255  975.815    126.969  82.493  6.1520  88.891  5.9206  -6.397659      8.538233 
1 1 1 -18 6   26 o 70.166  4.2643  604.165    72.257   573.508    98.520   639.851    106.295  67.965  6.0370  71.783  6.1625  -3.818176      8.626788 
1 1 1 -18 6   27 o 135.010 4.3334  2231.50    141.959  2145.05    199.962  2319.35    201.569  131.727 6.2561  137.053 6.0614  -5.325378      8.710891 
1 1 1 -18 6   28 o 85.093  4.1711  886.703    86.122   923.566    119.673  847.106    124.032  86.305  5.7476  82.478  6.2440  3.826675       8.486659 
1 1 1 -18 6   29 o 89.561  4.1872  983.342    90.993   930.855    125.692  1041.14    131.898  86.462  6.0290  91.483  5.9749  -5.020958      8.488128 
1 1 1 -18 6   30 o 55.906  4.7507  387.490    63.833   355.975    86.120   425.915    95.094   52.949  6.8648  57.976  6.8951  -5.027340      9.729775 
1 1 1 -18 6   31 o 21.540  7.2868  55.128     45.292   71.071     58.212   30.672     72.098   24.316  8.2609  21.730  8.7996  2.585846       12.06954 
1 1 1 -18 6   32 o 50.889  6.2529  328.262    75.584   345.169    90.653   289.704    136.901  51.763  7.4308  45.438  12.172  6.324749       14.26114 
1 1 1 -18 6   33 o 45.826  7.9288  274.853    84.971   274.853    84.971   0.0000     0.0000   45.826  7.9288  ?       ?       0.000000       7.928839 
1 1 1 -18 6   34 o 61.117  5.8072  470.881    85.082   358.694    102.178  724.554    153.647  52.214  8.3462  74.369  8.6779  -22.15483      12.04016 
1 1 1 -18 6   35 o 47.653  5.2009  285.715    59.159   265.344    78.549   312.415    89.928   45.082  7.4404  48.812  7.8597  -3.729721      10.82290 
1 1 1 -18 6   36 o 78.685  4.7481  770.620    90.227   777.231    123.586  763.075    132.034  78.128  6.5806  77.091  7.1396  1.036453       9.709666 
1 1 1 -18 6   37 o 26.438  8.4766  90.597     61.578   65.344     82.600   122.191    92.390   25.165  9.6509  30.566  10.407  -5.401131      14.19319 
1 1 1 -18 6   38 o 51.194  5.9882  334.224    72.979   315.883    98.645   356.400    108.467  48.501  8.7021  51.407  9.0252  -2.906075      12.53714 
1 1 1 -18 6   39 o 71.084  7.2233  655.153    122.857  506.850    229.314  714.858    145.501  55.580  16.085  73.550  8.2980  -17.97058      18.09904 
1 1 1 -18 6   40 f 49.489  9.3050  336.352    107.633  185.307    203.333  395.151    126.865  37.238  14.883  53.144  10.209  -15.90585      18.04833 
1 1 1 -18 6   41 o 50.807  5.9840  331.940    72.356   257.592    99.190   416.499    105.783  42.736  9.7774  55.809  8.0441  -13.07253      12.66114 
1 1 1 -18 6   42 o 29.380  8.3045  118.837    61.830   157.264    84.367   74.251     90.877   33.238  9.7960  25.909  10.072  7.329367       14.05025 
1 1 1 -18 6   43 o 18.207  7.6285  15.908     56.672   2.0557     83.349   27.819     77.287   20.306  8.8865  21.330  8.9205  -1.023390      12.59145 
1 1 1 -18 6   44 o 30.621  8.2092  131.185    62.241   171.556    84.213   82.583     92.399   34.339  9.6867  26.304  10.176  8.034889       14.04898 
1 1 1 -18 6   45 o 33.849  7.7611  159.219    62.384   122.076    87.377   197.837    89.095   29.273  10.116  36.598  9.8262  -7.325102      14.10248 
1 1 1 -18 6   46 o 17.622  7.5336  10.082     57.172   110.924    77.580   -109.7765  84.579   27.965  9.5365  15.390  7.4400  12.57489       12.09534 
1 1 1 -18 6   47 o 39.908  6.9688  216.434    65.025   119.659    90.392   320.225    93.612   28.815  10.262  47.666  8.4009  -18.85122      13.26240 
1 1 1 -18 6   48 o 46.163  8.4420  301.636    91.074   229.766    104.177  534.651    187.581  38.422  10.751  55.366  13.965  -16.94343      17.62404 
1 1 1 -18 6   49 o 32.258  9.6876  155.397    81.917   185.522    92.865   49.761     173.898  34.837  10.280  28.006  12.515  6.831202       16.19603 
1 1 1 -18 6   50 o 46.095  6.3488  282.503    69.124   337.619    95.351   221.454    100.353  49.035  8.3110  37.928  10.531  11.10680       13.41510 
1 1 1 -18 6   51 o 32.990  7.9927  154.380    63.306   234.912    84.547   51.613     95.508   40.273  8.8899  23.864  9.9430  16.40898       13.33767 
1 1 1 -18 6   52 o 74.445  8.1786  774.844    145.298  959.424    309.662  722.734    164.535  65.374  18.622  69.714  10.014  -4.340477      21.14402 
1 1 1 -18 6   53 o 33.471  10.823  179.995    100.232  344.005    255.130  150.061    108.995  38.805  16.216  30.803  11.230  8.002012       19.72516 
1 1 1 -18 7   1  o 90.959  4.3945  1007.80    96.989   1024.64    127.462  984.646    149.481  91.405  5.7768  89.379  6.9472  2.025414       9.035249 
1 1 1 -18 7   2  f 73.402  3.9739  657.698    70.513   673.208    104.440  644.706    95.588   74.002  5.8646  72.470  5.4764  1.531281       8.023988 
1 1 1 -18 7   3  o 202.003 5.0451  4976.48    247.280  5286.27    349.348  4665.42    350.067  207.714 6.9315  195.002 7.3986  12.71155       10.13828 
1 1 1 -18 7   4  o 41.066  5.5390  209.543    53.784   258.027    102.113  190.928    63.273   44.859  9.6664  38.906  6.9579  5.952919       11.91016 
1 1 1 -18 7   5  o 69.537  5.7424  594.549    96.022   498.365    184.021  630.535    112.560  62.035  12.654  71.483  6.5629  -9.448017      14.25482 
1 1 1 -18 7   6  o 65.387  4.2507  522.798    67.073   564.994    105.648  494.306    86.814   67.643  6.5175  63.367  5.7075  4.275711       8.663361 
1 1 1 -18 7   7  o 46.847  4.8409  270.359    54.234   235.388    89.266   290.820    68.281   42.940  8.8615  48.431  5.9347  -5.490585      10.66519 
1 1 1 -18 7   8  o 215.251 7.6874  5689.86    401.502  6285.26    540.689  4957.96    599.467  225.345 9.8886  198.615 12.503  26.72963       15.94075 
1 1 1 -18 7   9  o 77.613  6.6705  742.836    124.398  800.437    154.656  637.271    209.368  80.303  8.0455  70.315  12.741  9.987534       15.06830 
1 1 1 -18 7   10 o 95.833  10.551  1152.84    241.283  0.0000     0.0000   1152.84    241.283  ?       ?       95.833  10.551  0.000000       10.55122 
1 1 1 -18 7   11 o 95.331  10.684  1142.06    242.887  0.0000     0.0000   1142.06    242.887  ?       ?       95.331  10.684  0.000000       10.68419 
1 1 1 -18 7   12 o 255.255 5.8197  7961.71    360.444  8225.07    509.956  7698.80    509.533  258.562 8.1284  250.036 8.3986  8.526062       11.68788 
1 1 1 -18 7   13 o 74.421  4.4020  677.071    79.135   661.438    116.369  690.521    107.935  73.200  6.6235  74.920  5.9875  -1.719460      8.928669 
1 1 1 -18 7   14 f 105.826 3.9931  1363.45    102.534  1289.47    142.176  1443.63    148.010  102.568 5.7358  108.562 5.6383  -5.993904      8.042986 
1 1 1 -18 7   15 o 128.958 4.1982  2025.58    131.364  1993.39    184.631  2058.58    186.944  127.674 5.9599  129.749 5.9380  -2.074646      8.413113 
1 1 1 -18 7   16 o 124.914 4.2551  1900.92    128.969  1842.26    182.572  1959.35    182.208  122.697 6.1325  126.571 5.9329  -3.874123      8.532701 
1 1 1 -18 7   17 o 161.028 6.4492  3176.99    251.982  1532.65    414.565  4140.42    317.328  108.050 16.321  183.632 7.1219  -75.58239      17.80751 
1 1 1 -18 7   18 o 68.229  7.0905  577.700    115.669  701.272    214.264  526.876    137.412  73.741  12.416  64.674  9.0005  9.066849       15.33534 
1 1 1 -18 7   19 o 92.508  6.2969  1053.58    140.501  980.666    250.524  1087.04    169.701  87.526  12.122  93.684  7.5290  -6.157570      14.26966 
1 1 1 -18 7   20 o 135.797 6.3832  2262.21    210.326  2192.67    342.620  2304.25    266.436  131.950 10.796  136.373 8.0881  -4.422546      13.48956 
1 1 1 -18 7   21 o 104.814 4.2035  1339.69    106.905  1300.82    151.077  1378.68    151.295  102.819 6.0827  105.902 5.9114  -3.083176      8.481991 
1 1 1 -18 7   22 o 56.458  4.7751  392.215    64.801   415.317    91.089   368.543    92.206   57.749  6.6202  54.227  7.1847  3.522617       9.769745 
1 1 1 -18 7   23 o 106.682 4.1827  1389.12    108.271  1447.87    152.239  1328.99    154.014  108.463 5.8058  103.812 6.1416  4.650597       8.451414 
1 1 1 -18 7   24 o 10.724  5.1006  -45.7589   36.257   -32.4016   44.463   -72.2673   62.637   13.198  6.0654  14.332  6.7833  -1.133831      9.099587 
1 1 1 -18 7   25 o 128.159 4.2818  2008.24    133.150  1852.35    187.716  2166.10    188.894  122.362 6.3443  132.649 5.8688  -10.28645      8.642524 
1 1 1 -18 7   26 o 57.339  4.5316  405.200    62.533   382.184    84.561   432.978    92.896   55.236  6.4296  58.781  6.6291  -3.544277      9.234947 
1 1 1 -18 7   27 o 69.179  4.3038  588.495    71.884   558.458    98.324   622.985    105.359  66.923  6.1229  70.688  6.2056  -3.764519      8.717771 
1 1 1 -18 7   28 o 59.954  4.5612  443.866    65.855   391.169    88.853   508.101    98.099   55.681  6.7118  63.643  6.4413  -7.961758      9.302609 
1 1 1 -18 7   29 o 15.720  6.6325  4.5346     43.325   -35.6963   55.167   69.280     69.984   14.836  6.7952  24.993  9.0158  -10.15733      11.28980 
1 1 1 -18 7   30 o 50.887  4.9803  322.608    60.706   382.663    81.708   248.616    90.695   55.084  6.2224  43.356  8.9190  11.72805       10.87503 
1 1 1 -18 7   31 o 72.625  5.1539  656.215    90.231   677.222    105.835  600.309    172.651  73.468  5.9891  66.584  11.076  6.883965       12.59114 
1 1 1 -18 7   32 o 49.974  6.3280  317.638    75.013   283.222    89.446   399.221    137.715  46.420  8.2432  53.971  10.892  -7.550865      13.65932 
1 1 1 -18 7   33 o 39.897  7.3759  208.118    68.774   178.928    82.093   276.822    125.946  36.340  9.2781  44.338  11.581  -7.997292      14.83887 
1 1 1 -18 7   34 o 14.045  6.2168  -11.2166   41.885   -22.6870   53.486   6.9711     67.350   15.235  6.8637  19.235  8.1987  -3.999849      10.69251 
1 1 1 -18 7   35 o 27.926  8.3081  103.175    60.457   121.756    83.019   82.194     88.216   30.340  9.8538  26.977  10.056  3.362078       14.07881 
1 1 1 -18 7   36 o 77.452  4.7919  747.620    89.613   734.253    123.476  762.497    130.260  75.758  6.7893  77.061  7.0444  -1.303093      9.783534 
1 1 1 -18 7   37 o 26.715  8.3843  93.556     60.512   41.668     83.610   150.633    87.690   23.374  9.4723  33.118  10.041  -9.744316      13.80361 
1 1 1 -18 7   38 o 37.894  9.9716  200.735    92.928   -62.5168   184.774  289.865    107.515  26.864  12.353  45.654  9.9838  -18.78990      15.88287 
1 1 1 -18 7   39 o 25.184  9.7273  66.592     84.340   -1.9738    173.033  87.958     96.591   27.938  12.484  27.614  10.473  0.3238525      16.29537 
1 1 1 -18 7   40 o 48.144  6.3803  300.404    72.698   264.533    97.666   344.972    108.864  43.520  9.5143  49.987  9.3184  -6.467144      13.31742 
1 1 1 -18 7   41 o 36.101  7.9817  177.955    68.059   247.378    94.166   102.026    98.479   41.885  9.4858  28.477  10.623  13.40838       14.24145 
1 1 1 -18 7   42 o 22.500  8.2724  59.429     59.325   55.513     80.897   63.984     87.259   23.703  9.4152  24.793  9.8004  -1.089909      13.59020 
1 1 1 -18 7   43 o 14.697  6.7986  -37.4313   57.187   -81.6666   81.141   6.2277     80.610   16.061  7.6364  20.187  8.7892  -4.126020      11.64321 
1 1 1 -18 7   44 o 27.901  8.5114  109.155    62.871   31.744     84.698   204.154    93.827   22.065  9.2896  37.039  10.142  -14.97341      13.75378 
1 1 1 -18 7   45 o 16.817  7.4173  -4.8544    59.099   74.211     83.319   -84.9110   83.840   24.917  9.6560  16.148  7.7011  8.769051       12.35092 
1 1 1 -18 7   46 o 29.762  8.2230  126.254    61.353   133.588    85.997   118.651    87.556   30.069  10.041  28.701  10.113  1.367836       14.25154 
1 1 1 -18 7   47 o 23.516  9.2565  62.615     77.537   152.257    87.487   -265.6088  167.407  31.767  10.095  19.471  9.6275  12.29645       13.94987 
1 1 1 -18 7   48 o 28.511  9.6823  117.925    79.968   91.902     90.360   211.949    171.758  26.452  10.106  35.232  13.805  -8.780415      17.10897 
1 1 1 -18 7   49 o 13.595  6.3953  -47.2405   54.136   -69.9525   72.058   -17.8099   82.026   15.170  7.2078  18.734  8.4643  -3.563672      11.11740 
1 1 1 -18 7   50 o 21.527  8.1196  54.448     57.857   23.298     78.241   92.034     85.944   20.711  8.8325  26.314  9.9023  -5.603809      13.26906 
1 1 1 -18 7   51 f 33.905  11.105  182.311    105.355  53.934     252.084  209.480    115.969  30.560  14.185  35.850  11.646  -5.289190      18.35367 
1 1 1 -18 7   52 o 19.893  8.8410  1.3096     85.539   9.9372     235.582  -0.0005    91.804   28.532  13.396  20.399  9.1061  8.132626       16.19784 
1 1 1 -18 8   1  o 44.826  5.1808  248.376    55.312   317.825    89.807   205.931    70.209   50.337  7.5887  40.344  7.4464  9.992500       10.63189 
1 1 1 -18 8   2  o 60.281  4.9516  446.064    71.785   527.123    103.590  371.174    99.569   65.287  6.6312  54.444  7.7566  10.84358       10.20481 
1 1 1 -18 8   3  o 63.182  4.7843  489.375    72.801   487.316    136.486  490.193    86.067   62.161  9.3377  63.101  5.6823  -0.9393272     10.93070 
1 1 1 -18 8   4  o 106.633 4.0248  1384.18    104.137  1510.35    150.275  1267.61    144.442  111.075 5.5937  101.684 5.8794  9.391190       8.115249 
1 1 1 -18 8   5  o 95.692  4.0543  1114.74    94.136   1322.75    139.620  941.371    127.465  103.936 5.5564  87.550  6.0371  16.38589       8.204899 
1 1 1 -18 8   6  o 104.721 4.0596  1335.06    103.153  1536.27    150.554  1157.04    141.616  112.171 5.5316  97.104  6.0405  15.06688       8.190578 
1 1 1 -18 8   7  o 64.100  6.3235  507.415    97.069   544.200    126.116  453.951    152.043  66.062  8.0331  59.555  10.924  6.507484       13.55991 
1 1 1 -18 8   8  o 45.039  7.7700  256.074    81.846   264.412    107.105  244.370    126.890  45.355  10.001  43.513  11.745  1.842243       15.42632 
1 1 1 -18 8   9  o 52.142  11.160  350.757    136.930  0.0000     0.0000   350.757    136.930  ?       ?       52.142  11.160  0.000000       11.16006 
1 1 1 -18 8   10 f 130.525 9.9557  2122.17    312.925  0.0000     0.0000   2122.17    312.925  ?       ?       130.525 9.9557  0.000000       9.955690 
1 1 1 -18 8   11 o 226.036 6.2283  6250.55    341.596  6386.44    613.083  6189.37    411.367  226.406 11.160  224.488 7.5522  1.918274       13.47526 
1 1 1 -18 8   12 o 42.827  5.9715  228.486    60.366   217.576    96.790   235.432    77.226   41.112  9.8349  43.156  7.6553  -2.043781      12.46306 
1 1 1 -18 8   13 o 158.426 4.4581  3058.48    171.371  2934.09    239.188  3189.69    245.652  154.816 6.3674  161.440 6.2711  -6.624390      8.936999 
1 1 1 -18 8   14 o 230.639 5.4567  6497.31    305.372  5951.99    429.840  7053.01    433.911  219.877 8.0568  239.599 7.4637  -19.72185      10.98265 
1 1 1 -18 8   15 o 88.377  4.2044  951.487    90.160   906.422    121.910  1005.89    133.948  85.893  5.8849  90.456  6.1392  -4.562477      8.504277 
1 1 1 -18 8   16 o 101.558 4.1404  1256.47    102.028  1069.15    140.057  1468.28    148.929  93.239  6.2265  109.454 5.6267  -16.21428      8.392247 
1 1 1 -18 8   17 o 116.255 6.2041  1660.00    174.375  1592.45    286.739  1699.64    219.661  112.535 10.627  117.236 7.7659  -4.701263      13.16208 
1 1 1 -18 8   18 o 139.775 6.3721  2395.34    216.111  2425.99    349.844  2376.42    274.815  139.086 10.443  138.513 8.2135  0.5732117      13.28571 
1 1 1 -18 8   19 o 53.008  8.2470  354.995    102.623  174.340    198.178  421.188    119.960  40.616  15.085  57.679  8.8544  -17.06332      17.49168 
1 1 1 -18 8   20 o 59.105  4.7764  429.377    67.914   495.784    94.289   357.783    97.902   63.274  6.2219  53.301  7.8008  9.973118       9.978256 
1 1 1 -18 8   21 o 79.602  4.2466  775.291    81.725   697.437    115.749  852.683    115.406  75.070  6.4162  83.209  5.7513  -8.139091      8.616526 
1 1 1 -18 8   22 o 165.726 4.7306  3357.81    190.227  3410.37    269.658  3305.74    268.389  166.386 6.6793  163.786 6.7534  2.599854       9.498539 
1 1 1 -18 8   23 o 94.120  4.2068  1081.99    96.072   891.270    136.392  1269.81    135.346  84.740  6.6877  101.574 5.5123  -16.83369      8.666642 
1 1 1 -18 8   24 o 124.922 4.3100  1908.17    130.642  1795.33    184.510  2021.61    185.003  120.471 6.3343  128.130 5.9506  -7.659004      8.691026 
1 1 1 -18 8   25 o 96.133  4.1925  1130.44    97.794   1165.63    138.974  1095.93    137.638  97.049  5.9302  94.050  6.0637  2.998947       8.481447 
1 1 1 -18 8   26 o 103.450 4.2006  1310.34    105.441  1333.62    149.230  1287.13    149.001  103.727 5.9542  101.860 6.0559  1.867104       8.492787 
1 1 1 -18 8   27 o 66.904  4.4222  551.524    71.384   505.722    98.503   602.182    103.594  63.488  6.4854  69.419  6.2160  -5.931847      8.983295 
1 1 1 -18 8   28 o 17.997  6.9795  26.805     43.555   10.505     54.862   54.593     71.631   18.014  7.5232  23.768  9.0177  -5.754103      11.74381 
1 1 1 -18 8   29 o 12.227  5.6734  -33.5889   40.278   -70.5622   50.353   32.097     67.115   12.218  5.8648  21.315  8.5395  -9.096880      10.35946 
1 1 1 -18 8   30 o 22.558  7.2861  63.028     45.433   1.1513     58.124   160.214    72.844   17.678  7.5779  34.693  8.6760  -17.01419      11.51945 
1 1 1 -18 8   31 o 76.975  5.7779  742.689    107.129  720.276    130.461  789.089    187.713  75.117  7.2477  76.790  10.337  -1.673279      12.62480 
1 1 1 -18 8   32 o 55.670  6.2232  393.313    82.624   425.509    97.532   311.479    155.495  57.545  7.1385  46.341  13.194  11.20335       15.00166 
1 1 1 -18 8   33 o 27.076  7.5723  96.641     51.693   114.725    69.133   73.708     77.851   29.411  8.9149  25.642  9.4684  3.769514       13.00480 
1 1 1 -18 8   34 o 43.409  6.7655  243.816    68.936   145.331    92.566   366.452    103.294  32.765  10.381  52.644  8.3665  -19.87893      13.33275 
1 1 1 -18 8   35 f 47.065  6.4899  284.871    72.143   157.049    98.580   432.274    105.862  33.847  10.712  57.503  7.7876  -23.65629      13.24341 
1 1 1 -18 8   36 o 30.533  8.3392  125.598    63.526   172.344    84.943   66.272     95.692   35.346  9.6386  26.137  10.285  9.208967       14.09539 
1 1 1 -18 8   37 o 37.466  9.8879  195.730    91.202   451.612    181.655  109.495    105.456  54.537  13.735  29.836  11.019  24.70081       17.60920 
1 1 1 -18 8   38 o 87.773  6.7940  991.188    143.566  911.886    259.862  1026.03    172.238  77.119  14.417  88.243  8.1359  -11.12432      16.55455 
1 1 1 -18 8   39 f 55.981  8.7345  424.299    114.769  137.220    156.093  762.136    169.331  33.235  13.117  74.582  9.5784  -41.34673      16.24215 
1 1 1 -18 8   40 o 25.338  8.5749  83.338     62.719   73.047     83.933   96.351     94.379   25.459  9.7368  27.889  10.400  -2.429970      14.24652 
1 1 1 -18 8   41 o 41.069  7.4142  226.799    71.164   116.054    97.616   352.426    103.968  29.419  10.642  50.515  8.8022  -21.09625      13.81085 
1 1 1 -18 8   42 o 63.399  5.3368  513.461    81.333   552.804    111.720  469.097    118.635  64.466  7.2692  58.312  8.6468  6.154568       11.29639 
1 1 1 -18 8   43 o 30.743  8.4401  133.531    64.877   87.136     88.826   186.580    94.982   26.399  10.036  35.332  10.389  -8.932472      14.44427 
1 1 1 -18 8   44 o 21.017  8.2383  45.366     61.183   124.093    87.310   -30.5913   85.761   29.353  10.114  18.615  8.5060  10.73726       13.21500 
1 1 1 -18 8   45 o 35.272  7.7528  174.062    64.542   192.105    90.105   155.049    92.494   35.677  10.004  32.012  10.401  3.664978       14.43159 
1 1 1 -18 8   46 o 28.647  9.7706  119.340    81.436   118.119    92.240   123.656    173.409  28.633  10.347  30.900  13.163  -2.266294      16.74293 
1 1 1 -18 8   47 o 40.997  9.2649  246.830    89.993   247.615    102.601  244.212    187.379  40.112  10.440  36.747  14.414  3.365459       17.79756 
1 1 1 -18 8   48 o 14.290  6.5979  -31.9066   53.478   -73.0947   73.991   13.143     77.382   15.285  7.2743  19.970  8.6529  -4.685780      11.30434 
1 1 1 -18 8   49 o 16.318  7.2296  -6.6961    56.771   -58.0276   81.680   41.276     78.962   16.841  7.9010  21.991  9.0913  -5.149340      12.04485 
1 1 1 -18 8   50 o 38.547  9.7347  223.567    91.072   277.720    275.964  216.949    96.477   37.344  16.260  37.534  10.287  -0.1905708     19.24147 
1 1 1 -18 8   51 o 22.650  9.5936  40.249     91.214   198.740    279.448  21.349     96.499   34.405  15.577  21.950  9.5850  12.45446       18.28959 
1 1 1 -18 8   52 o 37.822  10.977  234.231    106.665  319.944    307.722  222.526    113.715  36.683  16.501  36.346  11.505  0.3371086      20.11562 
1 1 1 -18 9   1  o 128.380 4.2128  2007.20    131.229  2250.94    188.951  1780.08    182.394  135.731 5.7373  120.463 6.2617  15.26782       8.492661 
1 1 1 -18 9   2  o 106.978 4.1278  1393.51    107.145  1478.79    156.503  1318.28    146.996  109.841 5.8936  103.696 5.8663  6.144661       8.315556 
1 1 1 -18 9   3  o 139.673 4.3345  2376.31    146.898  2648.22    209.999  2115.77    205.562  147.200 5.8795  131.475 6.4437  15.72484       8.722968 
1 1 1 -18 9   4  o 72.312  4.3173  639.164    75.406   702.704    117.163  594.234    98.523   75.501  6.4576  69.483  5.8995  6.017899       8.746727 
1 1 1 -18 9   5  o 68.029  4.8679  567.158    79.822   706.474    145.927  507.676    95.352   75.365  8.1075  64.133  6.2051  11.23294       10.20956 
1 1 1 -18 9   6  o 135.253 6.0637  2236.87    198.997  2257.57    262.568  2208.93    305.030  135.250 8.0371  133.336 9.4902  1.913925       12.43619 
1 1 1 -18 9   7  o 110.487 5.9678  1496.60    159.396  1723.23    208.044  1174.48    248.032  118.290 7.2838  96.643  10.760  21.64673       12.99343 
1 1 1 -18 9   8  o 121.931 9.3042  1847.50    273.190  0.0000     0.0000   1847.50    273.190  ?       ?       121.931 9.3042  0.000000       9.304173 
1 1 1 -18 9   9  o 34.712  11.810  140.588    118.984  0.0000     0.0000   140.588    118.984  ?       ?       34.712  11.810  0.000000       11.81031 
1 1 1 -18 9   10 o 142.726 6.0110  2491.07    208.169  0.0000     0.0000   2491.07    208.169  ?       ?       142.726 6.0110  0.000000       6.011028 
1 1 1 -18 9   11 o 109.294 4.1065  1454.64    108.900  1523.89    158.386  1392.55    149.974  111.495 5.8753  106.579 5.8214  4.916290       8.270915 
1 1 1 -18 9   12 o 168.105 4.4790  3444.04    182.695  3198.70    255.647  3700.12    261.182  161.598 6.5199  173.885 6.1904  -12.28662      8.990551 
1 1 1 -18 9   13 o 98.422  4.1861  1180.00    99.969   1035.20    136.611  1346.92    146.680  91.767  6.1712  104.804 5.7905  -13.03700      8.462437 
1 1 1 -18 9   14 o 162.151 4.6432  3206.19    182.686  2846.79    254.948  3585.48    261.906  152.326 6.8979  171.106 6.3083  -18.78050      9.347489 
1 1 1 -18 9   15 f 88.949  4.2078  964.042    90.817   908.672    122.807  1030.87    134.914  85.977  5.9229  91.565  6.1075  -5.587555      8.507756 
1 1 1 -18 9   16 o 21.917  9.0487  18.537     78.070   -342.2551  139.745  182.230    94.129   17.212  8.5596  37.626  10.099  -20.41341      13.23843 
1 1 1 -18 9   17 o 89.079  6.2341  977.186    133.897  819.324    221.003  1068.74    168.304  79.983  11.737  92.871  7.5337  -12.88832      13.94670 
1 1 1 -18 9   18 o 121.792 6.2063  1823.45    182.800  1633.17    292.474  1945.44    234.174  113.762 10.722  125.364 7.7363  -11.60206      13.22171 
1 1 1 -18 9   19 o 89.381  4.6545  978.030    100.595  819.073    124.911  1271.38    169.689  81.439  6.3721  101.423 6.9369  -19.98446      9.419349 
1 1 1 -18 9   20 o 49.141  5.2646  298.840    61.797   295.443    85.856   302.491    89.018   48.364  7.5640  48.901  7.7617  -0.5366936     10.83780 
1 1 1 -18 9   21 o 121.560 6.9831  1828.69    205.106  1343.12    392.553  2011.03    240.553  99.440  16.873  127.178 7.8334  -27.73817      18.60227 
1 1 1 -18 9   22 o 51.449  5.0406  327.267    62.118   428.614    84.910   210.572    91.113   58.732  6.0445  40.203  9.4922  18.52900       11.25337 
1 1 1 -18 9   23 o 137.252 4.3801  2304.00    145.871  2210.39    206.216  2397.75    206.370  133.843 6.3498  139.492 6.0972  -5.648468      8.803210 
1 1 1 -18 9   24 o 212.355 5.3084  5543.03    273.523  5454.95    387.102  5630.85    386.538  209.218 7.6254  212.663 7.4909  -3.444885      10.68927 
1 1 1 -18 9   25 o 43.968  5.2709  241.162    55.111   231.544    75.186   252.330    81.019   42.474  7.5732  44.310  7.8217  -1.835983      10.88723 
1 1 1 -18 9   26 o 137.155 4.4076  2307.78    146.682  2242.54    207.667  2372.72    207.214  134.396 6.3682  138.337 6.1733  -3.941116      8.869231 
1 1 1 -18 9   27 o 34.240  6.4390  150.405    51.531   189.496    68.596   99.770     78.072   38.190  7.6690  28.480  9.5674  9.710003       12.26166 
1 1 1 -18 9   28 o 26.619  7.1968  92.087     47.597   44.619     61.905   160.723    74.439   21.882  8.3637  34.808  8.8068  -12.92604      12.14540 
1 1 1 -18 9   29 o 43.145  5.6066  234.827    57.307   174.658    78.256   304.407    84.153   36.166  8.9631  48.614  7.3649  -12.44775      11.60079 
1 1 1 -18 9   30 o 60.099  5.9323  454.952    85.378   408.440    102.422  560.877    154.564  56.207  7.7134  64.681  10.185  -8.474289      12.77640 
1 1 1 -18 9   31 o 83.175  5.7137  867.449    114.612  912.441    140.663  778.575    197.696  84.694  6.9050  75.510  11.123  9.183426       13.09231 
1 1 1 -18 9   32 o 14.875  6.6288  -15.5302   48.424   9.9018     53.858   -122.8256  110.624  17.668  7.4213  18.608  8.8668  -0.9406052     11.56271 
1 1 1 -18 9   33 o 54.280  5.8711  373.516    76.094   399.557    103.278  342.591    112.544  55.230  7.9345  50.249  9.5803  4.981350       12.43937 
1 1 1 -18 9   34 o 55.009  5.7430  383.241    75.524   364.991    104.207  403.432    109.612  52.419  8.4828  55.174  8.4574  -2.754448      11.97851 
1 1 1 -18 9   35 o 14.821  6.8137  -36.2098   56.179   -132.5076  78.833   63.163     80.081   14.318  6.9820  24.760  9.5009  -10.44148      11.79049 
1 1 1 -18 9   36 o 40.205  10.201  226.680    99.675   69.924     202.417  276.858    114.522  32.590  14.058  44.199  10.776  -11.60902      17.71278 
1 1 1 -18 9   37 o 67.624  7.6387  599.060    123.141  616.524    232.453  592.247    145.187  61.959  15.501  66.102  9.3101  -4.143074      18.08167 
1 1 1 -18 9   38 o 23.353  9.4902  43.580     84.184   -69.3271   187.365  72.138     94.230   26.540  12.287  26.192  10.236  0.3484440      15.99209 
1 1 1 -18 9   39 o 55.382  5.8554  393.361    77.492   382.276    105.689  406.249    113.956  53.087  8.4911  54.461  8.9334  -1.373993      12.32495 
1 1 1 -18 9   40 o 38.472  7.5237  199.971    67.717   271.815    94.436   123.932    97.154   44.058  9.1337  30.094  10.648  13.96346       14.02851 
1 1 1 -18 9   41 o 19.724  8.0158  29.824     60.065   13.931     83.310   47.030     86.680   20.967  9.0314  23.435  9.5886  -2.468252      13.17224 
1 1 1 -18 9   42 o 31.344  8.5096  138.925    66.382   180.873    94.842   98.639     92.944   34.827  10.416  27.513  10.309  7.314310       14.65466 
1 1 1 -18 9   43 o 12.505  6.0479  -80.1274   56.040   -94.1184   82.905   -68.3569   76.043   15.732  7.5447  15.824  7.4849  -0.9183502E-01 10.62759 
1 1 1 -18 9   44 o 29.364  8.5354  123.621    64.446   143.878    91.300   103.507    90.981   31.008  10.346  27.494  10.219  3.514366       14.54234 
1 1 1 -18 9   45 o 34.177  8.0900  166.072    66.047   10.323     92.010   331.640    94.866   21.157  9.2957  48.471  8.3686  -27.31379      12.50776 
1 1 1 -18 9   46 o 51.545  8.2484  373.502    99.683   383.623    114.864  342.627    200.624  51.034  9.6291  41.659  15.228  9.374290       18.01735 
1 1 1 -18 9   47 o 20.077  8.6263  17.888     75.636   58.186     84.752   -139.7881  167.645  23.577  9.5430  21.963  10.582  1.614580       14.24944 
1 1 1 -18 9   48 o 29.161  8.5122  122.464    63.975   51.248     87.381   204.742    93.922   23.284  9.5885  36.587  10.198  -13.30341      13.99785 
1 1 1 -18 9   49 o 32.402  8.2383  150.671    64.913   223.712    88.305   64.798     95.748   38.773  9.4683  24.668  10.084  14.10433       13.83210 
1 1 1 -18 9   50 o 27.439  10.746  102.313    104.014  523.259    294.880  42.496     111.159  45.201  17.969  24.128  10.413  21.07226       20.76790 
1 1 1 -18 9   51 o 21.778  9.5432  21.106     96.407   53.660     286.345  16.944     102.384  30.509  14.459  22.011  9.7324  8.498713       17.42892 
1 1 1 -18 10  1  o 19.547  6.9201  40.710     41.042   81.633     77.101   24.529     48.482   27.161  9.4956  18.617  7.3222  8.544308       11.99087 
1 1 1 -18 10  2  o 129.264 4.2328  2035.16    132.762  2304.22    191.278  1785.06    184.416  137.318 5.7408  120.609 6.3237  16.70853       8.540839 
1 1 1 -18 10  3  o 130.640 4.2583  2078.78    134.983  2439.94    194.240  1741.47    187.715  141.319 5.6647  119.082 6.5215  22.23707       8.638169 
1 1 1 -18 10  4  o 104.248 8.3586  1346.82    209.650  1346.82    209.650  0.0000     0.0000   104.248 8.3586  ?       ?       0.000000       8.358565 
1 1 1 -18 10  5  o 142.732 6.4731  2494.35    224.182  2708.47    298.811  2218.63    339.076  148.061 8.3516  133.216 10.577  14.84460       13.47672 
1 1 1 -18 10  6  o 137.778 6.4127  2323.87    214.380  2452.06    285.391  2157.87    324.768  140.841 8.3892  131.479 10.261  9.362213       13.25427 
1 1 1 -18 10  7  o 19.751  9.1623  -88.2658   104.943  0.0000     0.0000   -88.2658   104.943  ?       ?       19.751  9.1623  0.000000       9.162322 
1 1 1 -18 10  8  o 134.268 5.8996  2204.12    192.204  0.0000     0.0000   2204.12    192.204  ?       ?       134.268 5.8996  0.000000       5.899645 
1 1 1 -18 10  9  o 96.496  5.5546  1141.22    129.505  0.0000     0.0000   1141.22    129.505  ?       ?       96.496  5.5546  0.000000       5.554566 
1 1 1 -18 10  10 o 119.241 4.1432  1731.72    119.874  1934.43    173.201  1545.35    166.077  125.812 5.6737  112.220 6.1224  13.59141       8.347115 
1 1 1 -18 10  11 o 20.253  6.7786  47.337     39.190   124.160    56.983   -21.6132   53.984   31.170  7.6023  15.668  6.9893  15.50249       10.32688 
1 1 1 -18 10  12 o 96.494  4.1126  1134.15    96.291   1135.79    135.137  1132.45    137.240  96.201  5.8167  96.040  5.9181  0.1611557      8.298084 
1 1 1 -18 10  13 o 63.407  4.5390  492.665    69.371   493.434    94.381   491.761    102.309  63.179  6.2382  62.960  6.8054  0.2193413      9.231921 
1 1 1 -18 10  14 f 93.868  4.1924  1073.68    95.488   924.475    129.576  1251.00    141.261  86.663  6.2031  100.962 5.7905  -14.29961      8.485798 
1 1 1 -18 10  15 o 21.823  8.9964  19.032     77.024   46.795     136.973  6.1926     93.146   29.577  12.072  22.879  9.6928  6.698175       15.48172 
1 1 1 -18 10  16 o 32.591  9.8235  133.598    84.118   74.580     148.006  161.756    102.234  31.998  12.727  35.779  10.840  -3.780972      16.71791 
1 1 1 -18 10  17 o 41.259  9.1976  219.436    89.730   25.161     157.283  313.175    109.253  30.114  12.668  49.412  9.4570  -19.29793      15.80832 
1 1 1 -18 10  18 o 68.858  6.5130  587.533    107.524  492.346    183.051  637.679    132.861  61.210  12.739  71.451  7.7897  -10.24154      14.93228 
1 1 1 -18 10  19 o 103.918 4.1667  1317.46    105.063  1140.35    146.024  1507.55    151.278  96.141  6.2944  110.765 5.6475  -14.62380      8.456585 
1 1 1 -18 10  20 o 110.232 4.1779  1483.18    111.745  1490.43    157.014  1475.73    159.071  110.016 5.9035  109.440 6.0134  0.5759048      8.426826 
1 1 1 -18 10  21 o 53.115  5.1800  348.984    65.909   333.358    90.217   366.871    96.522   51.373  7.4552  53.903  7.5900  -2.530277      10.63899 
1 1 1 -18 10  22 o 78.904  4.3017  763.467    82.046   661.763    114.815  869.595    117.285  72.914  6.5599  83.874  5.7987  -10.96027      8.755403 
1 1 1 -18 10  23 o 15.327  6.5728  -1.4791    43.764   31.617     56.710   -50.2095   68.814   20.234  7.9315  16.306  7.5128  3.928453       10.92482 
1 1 1 -18 10  24 o 53.203  4.9444  350.640    63.098   309.267    85.175   400.960    93.934   49.311  7.3428  56.371  7.0197  -7.060028      10.15838 
1 1 1 -18 10  25 o 22.922  7.5595  63.412     48.791   63.028     65.462   63.893     73.182   24.101  8.7157  24.808  9.1762  -0.7062378     12.65566 
1 1 1 -18 10  26 o 83.572  4.3387  859.696    87.677   901.551    122.427  815.628    125.621  85.050  5.9703  80.687  6.4709  4.363014       8.804366 
1 1 1 -18 10  27 f 50.707  5.1347  320.739    62.304   362.555    84.894   271.924    91.724   53.459  6.6912  45.524  8.6195  7.935741       10.91184 
1 1 1 -18 10  28 o 70.805  4.4260  619.617    75.658   648.032    106.757  590.946    107.238  71.800  6.1883  68.401  6.5410  3.398346       9.004455 
1 1 1 -18 10  29 o 47.845  6.6928  292.899    75.572   306.887    88.253   254.448    146.325  48.589  7.7456  42.397  12.994  6.192883       15.12759 
1 1 1 -18 10  30 o 103.050 5.8495  1331.49    145.660  1454.64    181.467  1108.43    244.227  106.966 7.0309  90.011  11.441  16.95490       13.42864 
1 1 1 -18 10  31 o 110.544 5.8227  1534.03    155.628  1443.65    193.195  1701.08    262.654  106.022 7.5594  113.207 9.6542  -7.185265      12.26167 
1 1 1 -18 10  32 o 87.100  4.3154  937.495    91.201   838.116    127.722  1040.88    130.272  81.173  6.5402  90.866  5.9413  -9.693207      8.835955 
1 1 1 -18 10  33 o 28.732  8.4754  110.081    63.130   166.485    91.927   59.738     86.847   34.724  10.223  25.039  9.8151  9.685301       14.17204 
1 1 1 -18 10  34 o 33.460  8.2020  150.919    66.075   171.615    96.101   132.362    90.997   35.126  10.480  31.403  10.322  3.722832       14.70998 
1 1 1 -18 10  35 o 45.708  6.8088  271.435    73.210   330.502    105.194  215.953    101.952  49.350  9.1209  39.118  10.515  10.23206       13.91947 
1 1 1 -18 10  36 o 24.648  9.9051  52.867     90.597   -37.7404   205.661  74.683     100.917  28.864  13.182  26.928  10.573  1.935705       16.89854 
1 1 1 -18 10  37 o 75.665  7.5018  749.596    135.914  681.270    267.766  773.310    157.746  62.827  17.105  75.915  8.7222  -13.08778      19.20037 
1 1 1 -18 10  38 o 45.987  6.9018  277.980    74.636   311.155    106.104  245.489    105.006  47.139  9.6028  41.251  10.472  5.887272       14.20856 
1 1 1 -18 10  39 o 26.667  8.9238  94.910     67.920   -18.6744   94.563   215.947    97.617   20.453  9.1780  38.570  10.254  -18.11695      13.76152 
1 1 1 -18 10  40 o 12.586  6.1365  -100.3289  60.831   20.221     85.217   -225.5786  86.862   21.555  9.2058  12.916  6.4722  8.638887       11.25327 
1 1 1 -18 10  41 o 26.127  8.7918  92.575     65.929   145.410    95.750   44.944     90.913   31.556  10.595  23.494  9.7374  8.061752       14.39019 
1 1 1 -18 10  42 o 29.396  10.035  124.127    85.902   126.535    126.568  122.070    116.968  30.329  11.860  29.790  11.470  0.5393219      16.49885 
1 1 1 -18 10  43 o 22.364  8.5300  58.172     64.305   96.230     87.499   13.475     94.825   26.803  10.010  21.657  9.4779  5.146013       13.78510 
1 1 1 -18 10  44 o 74.426  5.2038  712.626    93.382   699.605    130.137  726.448    134.076  71.492  7.6194  72.761  7.7119  -1.269089      10.84104 
1 1 1 -18 10  45 o 33.652  10.243  174.005    91.122   158.582    100.720  243.550    213.877  31.989  10.866  36.340  14.987  -4.351604      18.51213 
1 1 1 -18 10  46 o 19.037  8.4409  -2.0504    77.537   10.691     84.364   -71.3584   196.759  20.440  8.9427  25.295  11.987  -4.854944      14.95502 
1 1 1 -18 10  47 o 42.328  7.0061  244.066    69.439   227.963    97.250   260.814    99.181   38.579  10.224  41.575  9.9622  -2.996319      14.27524 
1 1 1 -18 10  48 o 61.760  5.4726  495.187    81.161   550.521    115.673  441.533    113.904  63.217  7.7002  55.651  8.7219  7.565281       11.63463 
1 1 1 -18 10  49 o 26.974  10.555  97.050     100.304  -164.7666  285.082  134.040    107.156  27.140  13.244  29.836  11.090  -2.696859      17.27389 
1 1 1 -18 10  50 o 41.790  11.201  284.445    115.891  675.247    309.039  220.494    125.014  49.562  18.748  35.849  12.106  13.71357       22.31732 
1 1 1 -18 11  1  o 72.830  4.2412  648.298    74.623   843.831    114.939  505.823    98.113   82.894  5.7501  63.962  6.4080  18.93185       8.609671 
1 1 1 -18 11  2  o 139.680 4.2978  2376.91    145.661  2736.18    209.030  2037.76    203.090  149.618 5.7579  128.824 6.5184  20.79430       8.697301 
1 1 1 -18 11  3  o 127.850 6.1975  2000.24    192.254  2117.70    254.897  1845.24    292.805  130.924 8.0630  121.574 10.015  9.349976       12.85746 
1 1 1 -18 11  4  o 129.090 6.3132  2039.93    197.746  2189.44    259.724  1833.72    305.016  133.126 8.0787  121.026 10.490  12.09983       13.24070 
1 1 1 -18 11  5  o 145.260 6.5891  2585.11    232.241  2931.56    309.816  2140.73    350.881  154.030 8.3205  130.561 11.184  23.46864       13.93957 
1 1 1 -18 11  6  o 69.206  11.673  613.881    189.046  0.0000     0.0000   613.881    189.046  ?       ?       69.206  11.673  0.000000       11.67319 
1 1 1 -18 11  7  o 83.561  5.6620  857.160    114.121  0.0000     0.0000   857.160    114.121  ?       ?       83.561  5.6620  0.000000       5.662008 
1 1 1 -18 11  8  o 41.627  7.2993  218.831    71.037   0.0000     0.0000   218.831    71.037   ?       ?       41.627  7.2993  0.000000       7.299257 
1 1 1 -18 11  9  f 58.262  4.6900  416.581    65.741   509.712    105.755  357.928    83.927   64.102  6.9085  53.655  6.5848  10.44684       9.543940 
1 1 1 -18 11  10 o 11.881  5.4311  -23.7736   35.008   -22.3009   51.798   -25.0118   47.498   15.244  6.8199  14.292  6.4507  0.9520378      9.387335 
1 1 1 -18 11  11 o 51.466  4.7703  325.842    58.894   191.448    82.628   464.619    83.964   38.596  8.9903  61.385  5.7025  -22.78867      10.64627 
1 1 1 -18 11  12 o 172.228 4.6584  3618.08    194.674  3435.47    274.862  3801.90    275.762  167.327 6.7699  176.115 6.4532  -8.788315      9.352845 
1 1 1 -18 11  13 o 111.875 4.1128  1525.01    111.642  1441.99    157.523  1608.80    158.252  108.359 6.0149  114.682 5.6871  -6.322792      8.277778 
1 1 1 -18 11  14 o 71.350  6.5164  629.571    111.569  1.0037     199.619  915.128    134.546  32.510  13.992  86.137  6.4851  -53.62694      15.42170 
1 1 1 -18 11  15 o 52.200  7.7313  342.915    94.963   391.927    176.332  322.892    112.703  54.464  13.428  50.169  9.6082  4.294991       16.51156 
1 1 1 -18 11  16 o 87.106  6.2214  935.414    130.627  914.302    217.311  947.358    163.453  84.775  10.811  87.271  7.8012  -2.496254      13.33145 
1 1 1 -18 11  17 o 33.695  7.0789  144.947    56.035   133.644    68.847   167.128    96.445   32.263  8.6273  36.092  10.427  -3.828522      13.53365 
1 1 1 -18 11  18 f 116.710 4.2767  1662.47    121.111  1552.45    166.645  1785.64    176.318  112.265 6.1409  120.601 6.0253  -8.336632      8.603239 
1 1 1 -18 11  19 o 133.841 4.3878  2188.20    142.496  2044.19    197.009  2346.20    206.355  128.896 6.2991  138.133 6.1568  -9.236923      8.808227 
1 1 1 -18 11  20 o ?       ?       -212.7376  36.241   -247.7853  42.405   -117.7852  69.798   ?       ?       13.725  6.6646  0.000000       6.664646 
1 1 1 -18 11  21 o 178.802 4.8182  3917.38    209.034  3707.15    295.327  4128.44    295.910  172.971 7.0366  182.727 6.6741  -9.755630      9.698364 
1 1 1 -18 11  22 o 71.288  4.3359  624.277    74.643   479.739    102.563  787.044    108.838  61.815  6.9591  79.748  5.6615  -17.93357      8.971144 
1 1 1 -18 11  23 o 38.406  5.7733  185.890    52.136   147.530    70.035   233.574    78.083   33.599  8.5650  42.581  7.8466  -8.981918      11.61584 
1 1 1 -18 11  24 o 56.364  4.7604  393.134    64.494   334.707    89.534   456.147    92.981   51.238  7.4175  60.275  6.4581  -9.037571      9.834950 
1 1 1 -18 11  25 o 113.861 4.3092  1591.49    119.052  1427.41    167.360  1759.58    169.390  106.863 6.4851  119.132 5.8600  -12.26873      8.740468 
1 1 1 -18 11  26 o 107.476 4.2968  1419.53    112.053  1433.60    159.144  1405.70    157.798  107.130 6.1480  106.074 6.1574  1.055588       8.701302 
1 1 1 -18 11  27 o 70.961  4.4047  622.245    75.466   559.892    104.820  689.346    108.738  66.549  6.5775  74.101  6.1020  -7.551964      8.972056 
1 1 1 -18 11  28 f 44.209  7.2322  252.928    74.897   187.874    87.858   425.916    143.268  37.251  9.6446  55.784  10.976  -18.53300      14.61107 
1 1 1 -18 11  29 o 66.041  5.9180  549.610    93.826   575.345    112.856  492.012    168.838  67.077  7.0390  59.102  12.178  7.974888       14.06636 
1 1 1 -18 11  30 o 42.684  7.1972  237.283    71.890   171.833    83.058   432.749    143.538  35.509  9.4672  55.897  10.975  -20.38821      14.49400 
1 1 1 -18 11  31 o 20.401  7.3088  46.790     45.913   89.218     61.926   -5.0055    68.421   26.320  8.5069  18.533  8.0824  7.787472       11.73426 
1 1 1 -18 11  32 o 16.050  7.1528  -16.6235   56.389   2.9732     79.752   -36.2149   79.741   20.401  8.8118  18.211  8.2749  2.189825       12.08809 
1 1 1 -18 11  33 o 28.818  8.3468  111.191    61.728   186.180    88.789   41.039     85.878   36.658  9.7953  23.531  9.5762  13.12783       13.69861 
1 1 1 -18 11  34 o 51.466  5.9744  338.109    73.219   331.616    102.496  344.875    104.632  49.582  8.8440  50.581  8.8475  -0.9995651     12.50983 
1 1 1 -18 11  35 o 18.831  8.5598  -35.9793   85.426   -93.5410   214.452  -25.1227   93.134   27.829  12.973  20.248  9.0956  7.580242       15.84353 
1 1 1 -18 11  36 o 27.241  10.332  85.875     94.005   322.074    212.400  28.337     104.831  44.357  15.738  24.155  10.261  20.20215       18.78767 
1 1 1 -18 11  37 o 28.660  8.7057  112.104    65.877   49.529     89.725   185.283    97.031   24.136  9.8016  35.889  10.485  -11.75236      14.35303 
1 1 1 -18 11  38 o 46.354  6.6942  282.313    73.109   309.946    102.106  253.243    104.728  47.075  9.2691  41.759  10.381  5.315979       13.91664 
1 1 1 -18 11  39 o 24.832  8.5811  80.204     62.877   180.179    88.202   -23.1030   89.660   35.233  9.9046  19.626  8.8600  15.60739       13.28912 
1 1 1 -18 11  40 o 58.031  5.9134  436.698    82.101   396.511    112.362  482.730    120.257  53.106  9.0439  59.009  8.6563  -5.903011      12.51892 
1 1 1 -18 11  41 o 54.469  6.1500  388.841    79.858   340.521    111.670  439.416    114.247  48.265  9.8684  56.015  8.6870  -7.749962      13.14721 
1 1 1 -18 11  42 o 39.373  8.0019  217.189    73.840   334.971    104.319  98.923     104.533  48.128  9.2693  27.600  10.782  20.52763       14.21895 
1 1 1 -18 11  43 o 36.710  8.1464  191.406    70.667   204.075    102.531  179.943    97.533   36.065  10.840  34.047  10.638  2.017834       15.18771 
1 1 1 -18 11  44 o 14.778  7.1895  -117.4484  82.234   -146.5275  88.988   52.609     215.198  14.765  7.2457  29.399  13.449  -14.63341      15.27657 
1 1 1 -18 11  45 o 26.440  10.171  92.736     91.929   132.926    100.107  -123.5264  232.218  29.784  10.777  25.822  12.444  3.962946       16.46214 
1 1 1 -18 11  46 o 18.170  7.8429  9.4733     63.089   124.144    87.389   -115.3471  91.175   29.005  10.111  15.892  7.6930  13.11317       12.70490 
1 1 1 -18 11  47 o 35.378  8.4626  180.609    71.668   191.426    99.457   168.925    103.363  34.932  10.714  32.802  11.009  2.130257       15.36157 
1 1 1 -18 11  48 o 25.264  9.9073  79.880     88.512   278.633    305.350  61.647     92.483   36.857  16.519  24.165  9.8978  12.69201       19.25732 
1 1 1 -18 11  49 o 25.201  10.009  79.514     91.422   -81.7782   290.908  97.189     96.301   28.317  13.716  26.674  10.369  1.642881       17.19431 
1 1 1 -18 11  50 o 34.951  11.199  204.791    107.496  -215.4794  302.114  265.711    115.023  26.154  12.932  39.775  11.356  -13.62029      17.21071 
1 1 1 -18 12  1  o 45.745  8.2758  265.537    88.476   244.046    123.265  288.376    127.069  43.409  11.514  47.146  11.262  -3.736908      16.10628 
1 1 1 -18 12  2  o 119.377 8.0905  1763.04    232.964  1763.04    232.964  0.0000     0.0000   119.377 8.0905  ?       ?       0.000000       8.090537 
1 1 1 -18 12  3  o 247.119 8.4637  7532.84    507.492  8346.64    690.979  6579.73    747.786  258.655 11.010  227.658 13.599  30.99634       17.49742 
1 1 1 -18 12  4  o 106.160 6.2167  1384.23    159.435  1501.85    210.408  1225.63    244.325  110.183 7.9231  98.782  10.347  11.40022       13.03218 
1 1 1 -18 12  5  o 57.833  8.0047  419.314    109.315  215.324    149.323  654.886    160.467  41.498  13.189  72.161  9.3870  -30.66267      16.18831 
1 1 1 -18 12  6  o 153.716 6.2242  2892.91    232.147  0.0000     0.0000   2892.91    232.147  ?       ?       153.716 6.2242  0.000000       6.224165 
1 1 1 -18 12  7  o 40.014  7.3328  202.709    68.570   0.0000     0.0000   202.709    68.570   ?       ?       40.014  7.3328  0.000000       7.332756 
1 1 1 -18 12  8  o 46.080  6.3940  264.969    69.564   450.942    170.951  228.064    76.155   58.869  12.361  42.427  7.6803  16.44206       14.55308 
1 1 1 -18 12  9  o 68.334  4.7220  572.281    77.813   646.498    126.434  527.030    98.725   72.169  7.3215  65.296  6.3099  6.873062       9.665366 
1 1 1 -18 12  10 f 117.499 4.1650  1682.24    118.745  1685.47    168.576  1679.06    167.294  117.202 5.9473  116.986 5.9128  0.2161179      8.386394 
1 1 1 -18 12  11 o 117.769 4.1002  1689.92    117.165  1677.22    167.208  1702.18    164.225  116.910 5.9137  117.953 5.7381  -1.043617      8.239967 
1 1 1 -18 12  12 o 12.472  5.9684  -70.9567   51.280   -130.9700  137.869  -61.3210   55.244   22.022  10.310  13.627  6.4254  8.394924       12.14838 
1 1 1 -18 12  13 o 52.565  7.4353  346.669    92.187   401.391    166.330  322.406    110.754  55.292  12.669  50.175  9.4437  5.116261       15.80183 
1 1 1 -18 12  14 o 54.448  7.1021  370.703    91.595   204.435    178.219  430.385    106.776  41.508  14.441  58.593  7.6966  -17.08496      16.36391 
1 1 1 -18 12  15 o 43.033  8.4965  237.087    85.568   100.879    160.166  291.491    101.225  34.268  13.358  47.692  9.0791  -13.42307      16.15119 
1 1 1 -18 12  16 o 56.603  4.8782  394.451    66.343   371.016    88.455   424.586    100.304  54.491  6.8409  58.250  7.2540  -3.758305      9.970848 
1 1 1 -18 12  17 o 100.021 4.1762  1220.86    101.354  999.777    138.230  1477.92    149.052  89.946  6.3750  109.648 5.6213  -19.70174      8.499346 
1 1 1 -18 12  18 o 94.953  4.2646  1101.11    98.254   1037.20    133.492  1176.65    145.143  91.662  6.0358  97.621  6.1592  -5.958359      8.623600 
1 1 1 -18 12  19 o 93.077  4.2897  1058.80    96.880   961.185    130.914  1176.98    144.044  88.136  6.1604  97.584  6.1143  -9.448105      8.679600 
1 1 1 -18 12  20 o 135.876 4.3685  2258.65    144.027  2095.97    199.082  2437.30    208.623  130.309 6.2964  140.587 6.1158  -10.27838      8.777651 
1 1 1 -18 12  21 o 83.259  4.2929  850.679    86.431   905.941    115.780  781.120    129.897  85.592  5.6059  79.078  6.8371  6.513962       8.841483 
1 1 1 -18 12  22 o 109.133 4.2295  1458.68    111.998  1320.71    156.521  1603.43    160.326  103.078 6.2881  113.799 5.8259  -10.72071      8.572128 
1 1 1 -18 12  23 o 72.791  4.3208  652.054    75.973   600.456    104.028  711.028    111.216  69.299  6.2540  75.498  6.1238  -6.199066      8.752973 
1 1 1 -18 12  24 o 35.441  6.0929  160.117    50.507   135.739    65.214   196.659    79.842   32.146  8.3026  38.619  8.7261  -6.473251      12.04488 
1 1 1 -18 12  25 o 74.600  4.3474  686.414    78.351   635.951    107.080  744.566    114.949  71.167  6.2649  77.071  6.1993  -5.903244      8.813607 
1 1 1 -18 12  26 o 100.438 4.2264  1240.72    102.998  1157.89    143.996  1327.50    147.386  96.093  6.2091  103.065 5.9184  -6.972260      8.577888 
1 1 1 -18 12  27 o 26.718  8.2500  92.179     58.858   54.631     68.135   202.588    116.838  23.287  8.8046  38.321  11.584  -15.03418      14.54996 
1 1 1 -18 12  28 o 100.355 5.8257  1262.94    141.248  1256.53    173.641  1275.47    242.844  99.215  7.2634  97.485  10.428  1.729439       12.70852 
1 1 1 -18 12  29 o 57.428  6.4505  420.568    88.328   446.912    104.677  355.432    164.597  58.727  7.5187  49.117  13.427  9.609123       15.38854 
1 1 1 -18 12  30 o 52.706  5.0844  348.744    64.217   305.203    88.703   396.696    93.088   48.169  7.8606  55.416  7.0852  -7.247314      10.58249 
1 1 1 -18 12  31 o 66.533  5.1247  554.835    82.094   498.651    120.165  604.011    112.420  61.516  8.2592  68.600  6.8453  -7.084110      10.72716 
1 1 1 -18 12  32 o 79.984  4.7679  797.892    92.112   846.769    130.820  749.835    129.719  81.358  6.6860  76.289  7.0888  5.069542       9.744468 
1 1 1 -18 12  33 o 94.649  4.6102  1112.95    105.877  1095.07    152.112  1129.76    147.462  92.385  6.8342  94.086  6.4992  -1.701096      9.431151 
1 1 1 -18 12  34 o 64.223  7.7210  541.688    117.906  418.811    245.243  578.629    134.466  49.545  16.955  65.801  8.6301  -16.25576      19.02520 
1 1 1 -18 12  35 o 45.632  9.4066  288.377    100.690  127.327    226.701  327.956    112.383  35.296  15.043  48.436  9.8968  -13.13993      18.00685 
1 1 1 -18 12  36 o 54.292  6.4436  382.001    83.228   367.411    109.325  402.113    128.356  51.718  9.0411  53.271  10.303  -1.553810      13.70726 
1 1 1 -18 12  37 o 46.236  6.9025  282.146    75.067   235.208    106.981  327.670    105.358  39.995  10.780  48.419  9.3060  -8.423714      14.24092 
1 1 1 -18 12  38 o 42.463  7.2850  242.109    72.356   339.664    101.321  140.585    103.362  49.490  8.7581  31.430  10.994  18.05990       14.05607 
1 1 1 -18 12  39 o 20.110  8.1575  32.692     62.075   40.868     87.831   24.532     87.745   23.003  9.5554  21.947  9.3566  1.056040       13.37356 
1 1 1 -18 12  40 o 21.016  8.3502  42.610     63.646   74.330     89.224   9.7492     90.815   25.323  9.9418  21.235  9.2848  4.088087       13.60319 
1 1 1 -18 12  41 o 60.231  5.9066  473.925    85.211   383.704    119.902  565.991    121.122  50.881  10.068  64.106  7.9580  -13.22534      12.83365 
1 1 1 -18 12  42 o 29.145  8.6547  122.853    65.652   110.999    93.280   134.489    92.417   28.021  10.361  30.008  10.401  -1.987028      14.68111 
1 1 1 -18 12  43 o 35.697  8.2675  182.809    70.201   294.098    96.430   57.322     102.397  44.815  9.1768  24.512  10.261  20.30360       13.76591 
1 1 1 -18 12  44 o 19.151  8.5885  -8.9112    82.680   -32.5788   88.780   145.779    226.971  18.636  8.5668  32.458  14.414  -13.82199      16.76789 
1 1 1 -18 12  45 o 24.369  9.7679  67.855     87.862   -0.9164    94.710   492.499    235.345  20.710  9.2466  47.600  16.593  -26.89077      18.99525 
1 1 1 -18 12  46 o 42.089  7.5187  245.805    73.967   199.296    100.252  301.368    109.579  35.580  10.724  44.315  10.374  -8.735443      14.92083 
1 1 1 -18 12  47 o 15.502  7.0319  -19.7077   57.272   -20.8728   79.396   -18.4438   82.693   18.175  8.2580  18.648  8.4556  -0.4735012     11.81908 
1 1 1 -18 12  48 f 12.463  6.2493  -206.2001  81.597   123.320    266.547  -240.2735  85.712   31.972  14.750  12.304  6.1999  19.66714       16.00034 
1 1 1 -18 12  49 f 54.074  10.083  450.290    127.424  234.038    322.991  490.152    138.672  34.245  15.949  55.817  10.627  -21.57281      19.16528 
1 1 1 -18 13  1  o 24.001  9.3576  44.787     78.615   6.7369     110.840  83.305     111.521  24.883  10.559  29.844  11.269  -4.960836      15.44309 
1 1 1 -18 13  2  o 124.639 6.3352  1907.88    190.962  2217.69    252.506  1493.93    291.874  133.995 7.8001  108.790 11.218  25.20532       13.66335 
1 1 1 -18 13  3  o 129.276 8.1534  2068.12    254.442  2068.12    254.442  0.0000     0.0000   129.276 8.1534  ?       ?       0.000000       8.153388 
1 1 1 -18 13  4  o 37.589  5.7239  176.639    50.557   109.407    87.835   209.949    61.825   30.420  10.148  40.912  6.4410  -10.49242      12.01959 
1 1 1 -18 13  5  o 163.003 6.3252  3255.20    250.169  0.0000     0.0000   3255.20    250.169  ?       ?       163.003 6.3252  0.000000       6.325204 
1 1 1 -18 13  6  o 30.356  7.8782  117.715    58.532   0.0000     0.0000   117.715    58.532   ?       ?       30.356  7.8782  0.000000       7.878241 
1 1 1 -18 13  7  f 92.774  5.7145  1056.64    128.011  0.0000     0.0000   1056.64    128.011  ?       ?       92.774  5.7145  0.000000       5.714482 
1 1 1 -18 13  8  o 156.005 4.6565  2968.97    176.262  3332.03    256.298  2643.14    242.795  164.865 6.4070  146.735 6.8193  18.12933       9.356962 
1 1 1 -18 13  9  o 102.190 5.0885  1275.46    126.172  2111.59    223.020  881.863    153.014  130.904 7.0474  84.311  7.5600  46.59299       10.33537 
1 1 1 -18 13  10 o 67.896  4.4560  564.602    73.003   595.129    101.630  532.058    104.933  69.438  6.0936  65.505  6.6961  3.932976       9.053684 
1 1 1 -18 13  11 o 25.401  9.1644  67.694     72.315   84.437     165.212  63.726     80.430   33.773  13.442  25.733  9.5997  8.039501       16.51820 
1 1 1 -18 13  12 o 107.446 6.0752  1419.61    157.738  1182.32    267.214  1546.53    195.418  96.257  11.680  111.854 7.2391  -15.59744      13.74162 
1 1 1 -18 13  13 o 134.751 6.1569  2227.55    201.307  2348.46    323.322  2151.01    257.253  136.885 9.7994  131.654 8.0922  5.230850       12.70873 
1 1 1 -18 13  14 o 103.607 6.0686  1321.49    151.895  1408.83    254.730  1273.30    189.215  105.689 10.054  101.227 7.7628  4.462234       12.70235 
1 1 1 -18 13  15 o 54.798  4.7393  369.659    62.395   363.341    85.896   376.716    90.787   53.934  6.7087  54.870  6.9769  -0.9360085     9.679003 
1 1 1 -18 13  16 o 149.949 4.5134  2747.31    164.215  2719.00    231.732  2775.88    232.741  148.635 6.4254  150.194 6.3864  -1.559509      9.059343 
1 1 1 -18 13  17 f 155.972 4.5198  2974.27    171.054  2781.53    238.668  3177.83    245.281  150.201 6.5487  160.643 6.2927  -10.44226      9.082054 
1 1 1 -18 13  18 o 109.024 4.2682  1452.91    112.911  1375.57    156.039  1537.91    163.589  105.498 6.1220  111.587 6.0647  -6.089012      8.617401 
1 1 1 -18 13  19 o 111.014 4.2324  1507.27    114.007  1418.64    156.178  1608.38    166.808  107.097 6.0347  114.049 6.0494  -6.952423      8.544766 
1 1 1 -18 13  20 o 114.669 4.2573  1609.54    118.452  1428.12    161.967  1818.15    173.678  107.294 6.2484  121.380 5.8970  -14.08577      8.591728 
1 1 1 -18 13  21 o 75.465  4.4148  700.551    80.487   670.552    106.343  740.782    123.151  73.392  6.0249  76.951  6.6614  -3.559441      8.981807 
1 1 1 -18 13  22 o 67.424  4.5695  560.861    74.316   463.278    97.804   694.167    114.313  60.629  6.7636  74.487  6.3866  -13.85872      9.302472 
1 1 1 -18 13  23 o 71.824  4.3906  636.039    76.150   483.492    104.113  811.535    111.670  61.762  7.0750  80.730  5.7382  -18.96868      9.109416 
1 1 1 -18 13  24 o 48.307  5.0996  291.400    58.870   298.987    78.061   281.394    89.647   48.411  6.8356  46.438  8.2588  1.973442       10.72068 
1 1 1 -18 13  25 o 52.503  4.9893  343.795    62.796   326.786    84.106   365.220    94.395   50.498  7.0570  53.254  7.5140  -2.755444      10.30831 
1 1 1 -18 13  26 f 33.086  8.1043  145.389    64.547   168.092    74.153   74.396     131.129  35.444  8.6893  29.472  11.891  5.971123       14.72744 
1 1 1 -18 13  27 o 84.954  5.7912  906.041    118.665  885.447    143.807  949.984    210.069  83.231  7.1914  83.892  10.554  -0.6605606     12.77081 
1 1 1 -18 13  28 o 105.111 6.0325  1391.64    153.211  1527.75    189.911  1137.90    259.289  109.306 7.2008  90.146  12.165  19.16040       14.13641 
1 1 1 -18 13  29 o 20.876  7.3006  50.967     45.578   15.638     58.753   104.361    72.229   18.755  7.8050  28.275  9.1915  -9.519722      12.05832 
1 1 1 -18 13  30 o 85.962  4.5704  918.803    94.987   800.503    134.628  1036.07    134.037  78.869  7.1115  90.431  6.1451  -11.56168      9.398726 
1 1 1 -18 13  31 o 46.592  6.3116  279.129    69.517   392.902    101.586  178.925    95.336   54.627  7.8930  35.786  10.375  18.84129       13.03647 
1 1 1 -18 13  32 o 21.165  8.1786  42.746     59.642   106.852    83.199   -25.0233   85.542   28.717  9.8738  19.421  8.7211  9.295441       13.17381 
1 1 1 -18 13  33 o 71.673  7.2991  668.349    125.165  408.885    241.771  763.352    146.296  49.032  16.833  76.105  8.0443  -27.07240      18.65661 
1 1 1 -18 13  34 o 57.485  8.1575  440.901    110.590  465.937    228.865  433.274    126.315  52.310  16.287  56.018  9.6410  -3.707439      18.92689 
1 1 1 -18 13  35 o 40.101  10.015  229.223    97.163   133.713    219.348  252.538    108.375  34.922  14.838  41.756  10.660  -6.834141      18.27061 
1 1 1 -18 13  36 o 25.421  8.6970  84.084     64.525   123.828    88.381   38.719     94.424   29.961  10.179  23.665  9.8753  6.295811       14.18210 
1 1 1 -18 13  37 o 86.579  5.0248  948.677    105.105  877.581    147.255  1022.51    150.067  81.183  7.5625  88.147  7.0760  -6.963623      10.35672 
1 1 1 -18 13  38 o 63.898  5.6446  525.734    86.615   378.355    118.708  693.529    126.663  51.167  9.9196  72.077  7.3452  -20.90969      12.34300 
1 1 1 -18 13  39 o 54.968  6.1401  395.776    80.494   369.138    109.957  426.537    118.157  50.821  9.2580  54.733  9.2251  -3.911938      13.06953 
1 1 1 -18 13  40 o 62.130  5.7623  502.383    85.879   355.601    118.451  665.035    124.690  48.673  10.348  70.027  7.4529  -21.35392      12.75277 
1 1 1 -18 13  41 o 17.959  7.6917  11.514     59.795   -54.8430   85.774   74.252     83.402   17.418  8.1476  24.714  9.6376  -7.295746      12.62009 
1 1 1 -18 13  42 f 16.016  7.2825  -21.9594   61.893   -19.0795   84.764   -25.2483   90.584   18.852  8.5530  19.153  8.7479  -0.3005104     12.23436 
1 1 1 -18 13  43 o 25.832  10.240  83.781     95.507   53.705     104.520  235.968    235.113  24.351  10.289  35.562  15.242  -11.21151      18.39004 
1 1 1 -18 13  44 o 41.382  10.024  261.427    99.580   279.422    108.607  166.481    249.472  42.293  10.603  33.328  14.935  8.964119       18.31604 
1 1 1 -18 13  45 o 32.828  8.4440  156.384    67.644   148.313    94.652   164.808    96.706   31.054  10.534  32.493  10.639  -1.438950      14.97175 
1 1 1 -18 13  46 o 17.498  7.6263  4.2738     60.829   21.746     87.787   -11.8633   84.366   21.296  9.2219  19.143  8.6226  2.153923       12.62504 
1 1 1 -18 13  47 o 39.842  11.074  257.038    110.918  463.962    271.473  215.573    121.524  43.194  17.219  35.692  11.937  7.501038       20.95177 
1 1 1 -18 13  48 o 34.227  11.124  194.369    105.802  434.245    259.364  146.484    115.882  41.484  16.728  30.243  11.471  11.24040       20.28316 
1 1 1 -18 14  1  o 155.375 8.6591  2993.68    325.155  2993.68    325.155  0.0000     0.0000   155.375 8.6591  ?       ?       0.000000       8.659119 
1 1 1 -18 14  2  f 41.861  5.5427  217.908    54.913   212.339    89.646   221.252    69.473   40.608  9.2986  41.881  7.0895  -1.273186      11.69291 
1 1 1 -18 14  3  f 131.653 4.2795  2112.63    136.707  2253.40    195.895  1979.00    190.868  135.673 5.9507  127.098 6.1892  8.575317       8.585823 
1 1 1 -18 14  4  o 61.625  5.9682  469.178    88.123   0.0000     0.0000   469.178    88.123   ?       ?       61.625  5.9682  0.000000       5.968163 
1 1 1 -18 14  5  o 103.957 5.3888  1324.46    135.462  0.0000     0.0000   1324.46    135.462  ?       ?       103.957 5.3888  0.000000       5.388759 
1 1 1 -18 14  6  o 154.592 6.2601  2929.22    234.819  0.0000     0.0000   2929.22    234.819  ?       ?       154.592 6.2601  0.000000       6.260087 
1 1 1 -18 14  7  o 18.666  7.6200  16.232     54.588   -6.9266    102.703  25.350     64.445   23.208  10.012  20.765  8.3507  2.442989       13.03749 
1 1 1 -18 14  8  o 14.588  6.2943  -4.1384    40.598   34.321     54.547   -51.9022   60.788   20.360  7.8344  15.036  6.9744  5.324161       10.48902 
1 1 1 -18 14  9  o 96.069  4.1956  1125.16    97.801   1165.50    137.187  1083.47    139.464  97.386  5.8325  93.813  6.1611  3.572395       8.483938 
1 1 1 -18 14  10 o 104.046 6.0791  1331.60    152.803  1426.38    258.142  1280.48    189.585  106.448 10.116  101.587 7.7498  4.861343       12.74338 
1 1 1 -18 14  11 o 161.599 6.5116  3207.92    255.323  3616.72    400.008  2926.85    331.677  170.037 9.7358  153.270 8.9575  16.76659       13.22959 
1 1 1 -18 14  12 o 178.900 6.8535  3939.06    297.502  4078.92    460.319  3838.74    389.866  180.001 10.586  175.391 9.1930  4.610626       14.02060 
1 1 1 -18 14  13 o 133.116 7.9975  2201.55    257.116  0.0000     0.0000   2201.55    257.116  ?       ?       133.116 7.9975  0.000000       7.997492 
1 1 1 -18 14  14 o 48.704  5.1172  293.462    59.568   249.736    82.752   340.488    85.817   44.249  8.0019  52.110  6.9613  -7.860245      10.60613 
1 1 1 -18 14  15 o 37.549  10.123  183.474    94.328   109.146    202.848  203.981    106.550  37.104  14.853  39.517  10.803  -2.413635      18.36593 
1 1 1 -18 14  16 o 125.465 4.2156  1923.17    128.335  1892.84    180.555  1954.14    182.448  124.029 5.9996  126.031 5.9662  -2.002106      8.461104 
1 1 1 -18 14  17 o 80.651  4.2572  797.421    83.014   802.861    115.658  791.640    119.223  80.528  5.9616  79.895  6.1985  0.6324768      8.600136 
1 1 1 -18 14  18 f 39.948  5.9382  200.854    55.808   180.648    73.218   228.869    86.214   37.300  8.3035  41.968  8.7498  -4.668335      12.06267 
1 1 1 -18 14  19 o 14.443  6.3411  -9.7840    42.742   -50.4012   55.994   46.927     66.163   14.222  6.6295  22.674  8.6513  -8.451361      10.89931 
1 1 1 -18 14  20 o 93.760  4.2620  1077.35    96.960   949.399    133.075  1222.15    141.561  87.277  6.3269  99.239  5.9056  -11.96227      8.654842 
1 1 1 -18 14  21 o 117.372 4.2974  1690.25    122.388  1506.71    168.593  1894.72    177.953  109.924 6.3480  123.645 5.9315  -13.72138      8.687900 
1 1 1 -18 14  22 o 128.984 4.4120  2044.72    138.082  1865.93    191.029  2240.36    199.824  122.159 6.4678  134.209 6.1362  -12.04944      8.915491 
1 1 1 -18 14  23 o 75.405  4.3972  701.848    80.104   585.607    109.024  838.214    118.085  68.077  6.6865  81.852  5.9872  -13.77571      8.975302 
1 1 1 -18 14  24 o 18.456  7.0683  30.724     44.269   18.515     57.226   48.918     69.858   18.927  7.7729  22.963  8.8575  -4.036018      11.78448 
1 1 1 -18 14  25 o 65.358  5.9828  538.165    93.825   554.240    112.063  500.478    171.584  65.835  7.1291  59.701  12.256  6.134499       14.17821 
1 1 1 -18 14  26 o 68.910  5.9352  598.718    98.270   569.908    117.397  666.164    179.623  66.535  7.3970  69.765  10.973  -3.229866      13.23378 
1 1 1 -18 14  27 o 92.257  5.8209  1070.68    129.635  1044.69    158.059  1124.10    226.590  90.231  7.2814  91.110  10.438  -0.8796997     12.72671 
1 1 1 -18 14  28 o 38.767  6.0602  193.192    55.138   194.169    71.723   191.781    86.218   38.145  8.0044  37.366  9.4911  0.7792892      12.41582 
1 1 1 -18 14  29 o 35.702  7.4500  169.120    62.451   79.156     88.727   257.449    87.917   26.650  10.054  43.745  8.5894  -17.09544      13.22372 
1 1 1 -18 14  30 o 27.412  8.5453  99.379     62.977   38.042     89.121   160.558    89.006   23.575  9.6930  34.035  10.070  -10.46067      13.97737 
1 1 1 -18 14  31 o 17.334  7.3924  5.3241     54.806   24.619     78.092   -13.4045   76.937   21.551  8.9859  19.004  8.4182  2.546234       12.31311 
1 1 1 -18 14  32 o 88.357  6.8603  1005.92    145.924  1075.72    263.269  974.964    175.320  85.280  13.145  85.626  8.5529  -0.3458099     15.68290 
1 1 1 -18 14  33 o 25.425  9.6478  72.385     81.997   246.239    167.529  17.616     94.030   40.088  13.998  22.553  9.6521  17.53473       17.00319 
1 1 1 -18 14  34 o 30.131  10.393  123.188    92.216   -3.9882    188.998  162.924    105.645  28.487  12.862  33.756  11.123  -5.268766      17.00452 
1 1 1 -18 14  35 o 15.688  7.0889  -22.3008   57.550   -49.8041   79.389   8.1592     83.547   17.252  7.9911  20.769  8.9949  -3.516579      12.03183 
1 1 1 -18 14  36 o 56.387  5.7360  409.430    77.386   366.592    106.574  457.210    112.553  51.362  8.8723  57.946  8.2370  -6.584305      12.10644 
1 1 1 -18 14  37 o 23.879  8.6773  71.139     65.000   40.119     87.801   108.758    96.690   22.944  9.5443  28.482  10.545  -5.537235      14.22289 
1 1 1 -18 14  38 o 53.435  6.3210  375.896    80.367   364.925    108.326  389.328    119.861  50.591  9.1619  51.642  9.9263  -1.050724      13.50821 
1 1 1 -18 14  39 o 42.448  7.1672  245.364    71.190   89.780     98.500   415.514    103.008  26.711  10.458  54.810  7.9797  -28.09851      13.15451 
1 1 1 -18 14  40 o 20.014  8.0989  35.831     61.028   175.121    85.456   -109.1472  87.183   34.019  9.8115  15.637  7.5579  18.38226       12.38499 
1 1 1 -18 14  41 o 24.072  8.6721  77.398     64.723   105.386    86.949   42.619     96.925   27.267  10.016  23.235  9.8679  4.031818       14.06076 
1 1 1 -18 14  42 o 18.311  8.4189  -31.8990   85.800   -59.4127   90.118   234.725    280.536  17.619  8.2765  35.403  15.853  -17.78383      17.88318 
1 1 1 -18 14  43 o 42.852  10.516  286.515    108.519  269.823    119.976  361.599    254.459  40.447  11.614  39.981  16.402  0.4657974      20.09722 
1 1 1 -18 14  44 o 18.458  7.8948  14.671     62.838   -69.0296   84.204   119.868    94.399   16.605  7.8608  28.555  10.445  -11.94988      13.07232 
1 1 1 -18 14  45 o 23.361  8.5696  71.102     63.612   64.551     85.543   79.207     95.144   23.925  9.6212  25.452  10.178  -1.526875      14.00570 
1 1 1 -18 14  46 o 24.227  9.9921  62.780     95.069   352.171    230.663  3.5605     104.344  39.905  15.883  21.579  9.6649  18.32639       18.59274 
1 1 1 -18 14  47 o 30.091  10.817  143.523    100.653  200.611    240.062  131.346    110.868  33.284  14.801  29.170  11.182  4.113539       18.55003 
1 1 1 -18 15  1  o 231.715 5.5763  6568.62    313.518  7454.47    442.506  5675.72    444.263  246.062 7.4116  214.191 8.5482  31.87117       11.31386 
1 1 1 -18 15  2  o 228.407 5.5267  6381.46    306.292  7021.00    432.354  5737.11    433.976  238.776 7.4625  215.464 8.3009  23.31171       11.16220 
1 1 1 -18 15  3  o 236.473 6.4078  6859.73    367.669  8010.72    620.714  6237.63    456.339  253.485 10.092  224.622 8.3728  28.86250       13.11303 
1 1 1 -18 15  4  o 191.201 10.819  4590.10    499.887  0.0000     0.0000   4590.10    499.887  ?       ?       191.201 10.819  0.000000       10.81938 
1 1 1 -18 15  5  o 165.534 6.6688  3365.18    267.856  0.0000     0.0000   3365.18    267.856  ?       ?       165.534 6.6688  0.000000       6.668845 
1 1 1 -18 15  6  o 28.260  7.9042  101.405    56.322   48.434     95.479   129.673    69.749   25.909  10.248  31.851  8.7542  -5.942390      13.47838 
1 1 1 -18 15  7  f 122.183 4.1699  1820.14    123.623  1756.44    173.033  1886.56    176.684  119.719 5.9567  124.093 5.8680  -4.373665      8.361502 
1 1 1 -18 15  8  o 196.777 7.1402  4767.65    340.919  4715.11    512.252  4809.42    456.770  193.502 10.955  196.487 9.5808  -2.985123      14.55362 
1 1 1 -18 15  9  o 118.909 5.9966  1738.20    172.458  1731.51    274.466  1742.56    221.686  117.442 9.7190  118.542 7.7500  -1.099373      12.43062 
1 1 1 -18 15  10 o 40.129  8.8844  207.644    84.223   -30.4955   180.905  273.544    95.166   29.639  13.028  46.208  8.8094  -16.56909      15.72701 
1 1 1 -18 15  11 o 82.854  6.2013  847.744    123.765  763.534    224.610  884.461    148.312  76.568  12.523  84.354  7.3187  -7.785934      14.50455 
1 1 1 -18 15  12 o 136.577 6.3139  2293.65    209.237  2269.71    337.721  2308.56    266.560  133.943 10.475  136.209 8.1019  -2.266541      13.24247 
1 1 1 -18 15  13 o 19.827  7.3689  37.801     47.306   71.921     64.855   -0.9920    69.154   25.165  8.7139  19.317  8.2725  5.847944       12.01526 
1 1 1 -18 15  14 o 67.491  4.4728  559.253    72.831   604.415    103.037  514.157    102.961  69.820  6.1446  64.217  6.7069  5.603561       9.096053 
1 1 1 -18 15  15 o 86.767  4.2401  920.172    89.268   924.910    125.859  915.375    126.634  86.461  6.0372  85.993  6.1088  0.4685287      8.588655 
1 1 1 -18 15  16 o 107.915 4.1446  1423.74    108.526  1417.05    152.149  1430.67    154.843  107.095 5.8776  107.585 5.9548  -0.4895630     8.366947 
1 1 1 -18 15  17 o 91.148  4.1546  1016.41    91.885   1054.04    129.046  977.703    130.862  92.286  5.7923  88.768  6.1129  3.518219       8.421341 
1 1 1 -18 15  18 o 57.305  4.7502  405.825    65.453   461.798    89.785   342.341    95.620   60.791  6.1726  51.751  7.8622  9.039833       9.995740 
1 1 1 -18 15  19 o 86.359  5.2596  922.516    109.685  877.231    123.158  1096.18    241.182  83.931  6.0890  91.321  11.114  -7.390343      12.67238 
1 1 1 -18 15  20 o 107.968 4.2499  1430.40    111.338  1331.29    154.232  1538.25    160.889  103.342 6.1791  111.200 5.9850  -7.857552      8.602412 
1 1 1 -18 15  21 o 45.585  5.3962  260.511    58.528   266.536    76.114   251.795    91.548   45.599  7.1113  43.670  8.9408  1.929703       11.42401 
1 1 1 -18 15  22 o 67.526  4.4967  563.947    73.254   543.203    99.215   588.809    108.617  65.666  6.3043  68.254  6.6427  -2.587868      9.158047 
1 1 1 -18 15  23 o 27.338  7.4042  97.897     50.328   85.649     66.886   113.881    76.411   26.312  8.8554  29.628  9.4364  -3.316044      12.94078 
1 1 1 -18 15  24 o 37.423  7.9330  185.203    69.799   204.676    77.039   95.967     164.917  39.239  8.3481  32.582  13.266  6.656857       15.67445 
1 1 1 -18 15  25 o 38.749  7.4860  197.304    67.837   212.378    79.669   157.557    129.368  39.854  8.4982  34.650  12.284  5.203304       14.93702 
1 1 1 -18 15  26 o 75.689  5.8259  722.327    106.172  721.631    128.885  723.796    187.278  74.933  7.1765  72.469  10.996  2.463509       13.13038 
1 1 1 -18 15  27 o 50.281  5.1784  318.375    62.274   281.890    83.762   363.464    93.116   46.261  7.7353  52.778  7.4807  -6.516281      10.76082 
1 1 1 -18 15  28 o 22.930  8.1542  61.807     57.048   127.583    81.957   -0.0182    79.457   30.761  9.7703  20.140  8.7473  10.62129       13.11387 
1 1 1 -18 15  29 o 24.569  8.2181  76.358     57.602   51.276     77.041   108.153    86.742   23.482  9.2320  28.976  10.075  -5.493877      13.66516 
1 1 1 -18 15  30 o 46.164  6.2062  274.292    67.756   250.486    92.076   302.409    100.067  42.728  9.1566  47.093  9.0864  -4.365387      12.89988 
1 1 1 -18 15  31 o 100.750 6.8098  1306.23    165.495  1153.61    290.592  1379.50    201.335  86.906  14.276  102.275 8.1816  -15.36881      16.45467 
1 1 1 -18 15  32 f 30.667  10.042  128.947    86.160   121.186    174.466  131.451    99.086   33.044  13.571  31.118  10.771  1.926706       17.32623 
1 1 1 -18 15  33 o 52.803  8.6410  379.599    106.880  440.270    201.380  355.807    126.106  51.380  15.132  49.638  10.779  1.742054       18.57882 
1 1 1 -18 15  34 o 18.488  7.8431  11.899     61.116   92.427     87.869   -63.5626   85.060   27.158  10.053  17.356  8.1170  9.801554       12.92083 
1 1 1 -18 15  35 o 23.213  8.4140  65.776     61.059   69.434     84.911   61.859     87.865   24.986  9.7297  24.597  9.7991  0.3887825      13.80902 
1 1 1 -18 15  36 o 18.466  7.7770  16.143     59.392   93.867     82.570   -67.1815   85.493   26.753  9.7711  17.114  8.0463  9.639551       12.65767 
1 1 1 -18 15  37 o 42.300  7.4631  244.453    73.799   291.665    104.635  197.721    104.101  44.484  9.9440  35.860  10.955  8.624020       14.79518 
1 1 1 -18 15  38 o 30.399  8.7862  133.655    68.463   123.511    92.668   145.845    101.588  29.199  10.392  31.126  10.899  -1.926411      15.05880 
1 1 1 -18 15  39 o 23.369  8.5008  70.724     62.407   98.275     84.058   36.886     93.156   26.686  9.8417  22.711  9.6604  3.975357       13.79061 
1 1 1 -18 15  40 o 42.969  7.3619  255.515    73.994   274.289    99.143   231.910    111.173  42.606  9.7951  37.795  11.271  4.810802       14.93263 
1 1 1 -18 15  41 o 31.887  10.571  159.509    95.364   186.960    102.010  -30.8163   268.602  34.140  10.906  28.709  13.717  5.431162       17.52468 
1 1 1 -18 15  42 o 20.049  8.8597  5.6854     84.724   28.854     89.584   -190.6346  260.776  21.786  9.3749  25.571  12.518  -3.784451      15.63936 
1 1 1 -18 15  43 o 28.670  8.8227  120.778    67.379   81.637     90.480   169.506    100.954  25.386  9.9971  32.639  10.879  -7.253504      14.77494 
1 1 1 -18 15  44 o 22.368  8.5408  60.595     64.514   78.224     86.658   38.677     96.626   24.965  9.7989  22.900  9.7921  2.065355       13.85291 
1 1 1 -18 15  45 o 24.851  9.8632  76.577     88.715   92.314     229.267  73.806     96.209   30.329  13.877  24.995  10.150  5.334198       17.19280 
1 1 1 -18 15  46 o 16.294  7.7634  -75.5298   84.785   126.265    217.972  -111.5043  92.033   30.693  13.839  15.922  7.7130  14.77071       15.84339 
1 1 1 -18 15  47 f 32.517  10.986  177.830    102.956  236.001    248.326  165.755    113.138  33.557  14.979  31.259  11.434  2.298811       18.84414 
1 1 1 -18 16  1  o 175.659 4.6920  3767.17    199.984  4271.92    283.786  3269.23    281.863  186.597 6.2679  162.969 7.1280  23.62784       9.491850 
1 1 1 -18 16  2  o 138.111 4.2968  2326.47    143.992  2658.04    205.906  2009.14    201.437  147.315 5.7605  127.747 6.5204  19.56788       8.700494 
1 1 1 -18 16  3  o 15.166  7.4157  -170.3540  90.715   0.0000     0.0000   -170.3540  90.715   ?       ?       15.166  7.4157  0.000000       7.415715 
1 1 1 -18 16  4  o 76.743  5.9875  726.248    110.611  0.0000     0.0000   726.248    110.611  ?       ?       76.743  5.9875  0.000000       5.987503 
1 1 1 -18 16  5  o 52.046  6.6595  338.144    82.170   0.0000     0.0000   338.144    82.170   ?       ?       52.046  6.6595  0.000000       6.659514 
1 1 1 -18 16  6  o 160.957 4.7110  3164.21    183.986  3464.04    263.300  2878.11    257.198  167.917 6.4624  152.915 6.9319  15.00259       9.477028 
1 1 1 -18 16  7  o 126.246 5.9502  1954.81    182.268  1963.19    286.980  1949.15    235.973  125.130 9.5235  125.349 7.7971  -0.2186432     12.30826 
1 1 1 -18 16  8  o 51.197  7.3897  329.806    89.140   282.568    159.492  351.264    107.497  46.355  13.414  52.521  8.7426  -6.166111      16.01159 
1 1 1 -18 16  9  o 32.813  8.8823  138.496    72.449   170.209    136.949  126.172    85.373   37.461  12.671  31.799  9.9554  5.661386       16.11404 
1 1 1 -18 16  10 o 42.070  8.5830  227.668    84.646   -171.2242  155.999  394.115    100.770  22.598  10.699  55.959  7.6198  -33.36018      13.13469 
1 1 1 -18 16  11 o 176.581 4.7670  3813.84    204.244  3641.90    288.690  3986.14    288.999  171.781 6.9262  179.847 6.6226  -8.066284      9.582821 
1 1 1 -18 16  12 o 73.542  4.3876  663.267    77.936   748.147    109.655  576.620    110.791  77.811  5.8508  68.022  6.8039  9.788628       8.973538 
1 1 1 -18 16  13 o 62.475  4.5903  480.102    69.097   377.619    95.167   594.360    100.487  54.734  7.3517  69.228  6.0428  -14.49361      9.516459 
1 1 1 -18 16  14 o 89.018  4.1527  968.638    89.696   911.508    126.718  1026.01    126.981  85.768  6.1294  91.124  5.7729  -5.356285      8.419989 
1 1 1 -18 16  15 o 27.854  6.9904  99.987     47.170   124.643    63.042   68.627     71.099   31.010  8.2385  25.191  9.0873  5.819153       12.26588 
1 1 1 -18 16  16 o 117.313 4.2843  1685.32    121.953  1730.22    172.230  1640.17    172.705  118.186 6.0260  114.986 6.2131  3.199059       8.655334 
1 1 1 -18 16  17 o 52.107  4.7896  336.299    59.879   282.428    83.728   392.698    85.669   46.959  7.6087  55.913  6.4318  -8.954002      9.962970 
1 1 1 -18 16  18 o 56.507  5.6794  398.639    76.816   377.781    88.899   460.108    152.614  54.643  6.8559  58.642  11.133  -3.999447      13.07445 
1 1 1 -18 16  19 f 41.629  5.6501  218.298    55.597   249.953    72.433   172.906    86.737   44.201  6.9859  36.024  9.7051  8.176994       11.95788 
1 1 1 -18 16  20 o 99.607  4.3100  1219.65    104.168  1213.18    143.621  1226.83    151.311  98.556  6.0349  98.968  6.3342  -0.4121094     8.748837 
1 1 1 -18 16  21 o 128.949 4.3908  2047.40    137.381  1890.28    190.402  2218.03    198.418  122.731 6.4160  133.285 6.1353  -10.55309      8.877316 
1 1 1 -18 16  22 o 46.985  5.5788  278.310    62.359   223.880    83.007   348.830    94.482   41.034  8.6114  51.856  7.7465  -10.82172      11.58298 
1 1 1 -18 16  23 o 44.716  7.4868  260.565    78.360   258.970    85.463   268.981    196.316  44.264  8.2611  43.137  15.148  1.126568       17.25420 
1 1 1 -18 16  24 o 61.973  6.4545  489.123    95.633   464.703    108.160  576.607    204.719  59.845  7.6216  62.562  13.852  -2.716908      15.81013 
1 1 1 -18 16  25 o 81.324  5.9585  835.311    116.757  771.836    140.211  978.887    210.873  77.228  7.5802  84.790  10.472  -7.562096      12.92776 
1 1 1 -18 16  26 o 75.497  4.3484  707.692    79.320   655.174    110.451  763.622    113.984  71.673  6.4191  77.592  6.1036  -5.918205      8.857675 
1 1 1 -18 16  27 o 17.278  7.3144  7.6301     52.978   -138.4327  72.434   175.643    77.687   13.241  6.5058  35.817  8.9611  -22.57606      11.07371 
1 1 1 -18 16  28 o 49.464  6.2263  314.193    73.071   320.547    92.784   303.816    118.571  49.095  8.0693  46.291  10.761  2.803551       13.45008 
1 1 1 -18 16  29 o 28.377  8.3997  108.376    61.914   225.440    85.783   -18.9132   89.451   40.551  8.9575  20.146  8.9913  20.40448       12.69168 
1 1 1 -18 16  30 o 70.316  6.1116  631.732    103.236  1398.04    221.687  419.531    116.657  101.992 9.0521  55.604  8.9502  46.38722       12.72971 
1 1 1 -18 16  31 o 53.904  8.1854  389.656    103.694  401.096    199.984  385.449    121.270  49.248  15.207  52.519  9.8791  -3.271030      18.13437 
1 1 1 -18 16  32 o 46.981  9.4917  308.947    104.477  401.460    206.481  277.110    121.127  48.535  15.518  43.225  11.389  5.310654       19.24885 
1 1 1 -18 16  33 o 13.447  6.3298  -50.3275   53.193   -78.8611   76.947   -24.2116   73.615   15.706  7.4582  17.764  8.0232  -2.058627      10.95428 
1 1 1 -18 16  34 o 19.031  7.8808  22.320     59.475   121.833    83.473   -80.2943   84.764   29.486  9.8928  16.585  7.8619  12.90079       12.63633 
1 1 1 -18 16  35 o 48.285  6.3993  307.108    73.125   389.721    101.049  216.277    105.955  53.333  8.0600  37.705  10.940  15.62790       13.58831 
1 1 1 -18 16  36 o 37.997  7.7671  200.166    69.193   210.984    100.660  190.475    95.269   37.191  10.625  35.488  10.396  1.703186       14.86491 
1 1 1 -18 16  37 o 32.275  8.5198  149.947    67.700   216.087    91.517   70.006     100.613  37.955  9.8513  25.409  10.356  12.54657       14.29300 
1 1 1 -18 16  38 o 16.072  7.1926  -11.7337   57.664   43.689     81.868   -66.3009   81.233   22.297  9.2407  16.407  7.7533  5.889690       12.06245 
1 1 1 -18 16  39 o 36.267  8.0352  187.969    68.847   302.789    95.948   66.107     98.847   45.488  9.0118  24.736  10.194  20.75140       13.60612 
1 1 1 -18 16  40 o 15.007  7.2282  -91.9320   78.071   -69.8549   81.977   -307.1871  255.976  16.268  7.7173  23.618  11.718  -7.350309      14.03099 
1 1 1 -18 16  41 o 17.749  8.2178  -38.4131   83.835   -37.3229   87.652   -50.1178   287.201  18.201  8.4187  28.729  13.844  -10.52829      16.20292 
1 1 1 -18 16  42 o 28.569  8.9132  120.562    68.501   159.123    91.840   72.208     102.842  31.871  10.365  25.231  10.398  6.640301       14.68125 
1 1 1 -18 16  43 o 22.075  8.4075  59.094     62.414   81.039     86.224   34.939     90.462   25.121  9.7984  22.200  9.4833  2.920452       13.63603 
1 1 1 -18 16  44 o 41.398  7.5721  240.768    73.258   252.554    98.219   225.990    109.982  40.348  10.066  37.020  11.249  3.328251       15.09527 
1 1 1 -18 16  45 o 21.284  9.3079  21.140     91.304   -217.7107  225.422  68.014     99.862   23.176  11.405  24.598  10.201  -1.421911      15.30125 
1 1 1 -18 16  46 o 27.119  10.493  109.766    98.277   48.206     241.177  122.023    107.617  28.455  13.420  28.115  10.952  0.3402615      17.32171 
1 1 1 -18 17  1  o 110.677 4.1984  1494.24    112.749  1595.31    164.495  1404.68    154.844  113.892 5.9733  106.845 5.9970  7.046654       8.464290 
1 1 1 -18 17  2  o 93.684  5.8126  1079.99    131.478  0.0000     0.0000   1079.99    131.478  ?       ?       93.684  5.8126  0.000000       5.812641 
1 1 1 -18 17  3  o 52.893  6.7361  349.539    84.489   0.0000     0.0000   349.539    84.489   ?       ?       52.893  6.7361  0.000000       6.736102 
1 1 1 -18 17  4  f 23.859  8.7462  57.600     66.244   0.0000     0.0000   57.600     66.244   ?       ?       23.859  8.7462  0.000000       8.746161 
1 1 1 -18 17  5  o 167.818 6.6480  3465.67    270.702  3378.20    418.797  3528.44    354.779  163.607 10.607  168.270 8.7193  -4.662933      13.73064 
1 1 1 -18 17  6  o 73.993  6.1019  676.805    108.575  630.144    180.212  703.393    136.037  69.946  10.980  75.075  7.5713  -5.128593      13.33726 
1 1 1 -18 17  7  o 145.752 6.2346  2611.46    220.489  2573.09    341.208  2638.96    288.912  142.958 9.8976  145.605 8.2111  -2.647797      12.86015 
1 1 1 -18 17  8  o 114.650 5.9895  1619.12    166.042  1501.55    263.494  1696.55    213.843  108.899 10.087  116.844 7.5837  -7.944984      12.61943 
1 1 1 -18 17  9  o 48.364  7.4398  295.826    84.509   520.480    153.716  198.511    101.170  63.547  10.324  38.995  10.471  24.55161       14.70455 
1 1 1 -18 17  10 o 33.227  6.4067  140.482    49.780   255.006    67.489   3.8267     73.722   45.077  6.3461  20.234  8.6001  24.84267       10.68804 
1 1 1 -18 17  11 o 111.171 4.0985  1509.71    110.556  1391.08    154.198  1635.19    158.594  106.135 6.0124  115.340 5.6669  -9.205055      8.262063 
1 1 1 -18 17  12 o 59.928  4.6535  442.384    67.136   426.777    93.399   459.069    96.570   58.378  6.7160  60.582  6.6807  -2.203449      9.472968 
1 1 1 -18 17  13 o 67.322  4.5434  557.582    73.783   501.290    102.433  618.281    106.367  63.269  6.7779  70.478  6.2860  -7.209297      9.244129 
1 1 1 -18 17  14 o 86.485  4.2261  915.550    88.683   791.390    123.745  1046.66    127.159  79.694  6.4548  91.962  5.7271  -12.26740      8.629285 
1 1 1 -18 17  15 o 24.013  7.2736  72.612     46.033   43.904     62.954   105.599    67.483   22.043  8.4322  28.798  8.8242  -6.754261      12.20521 
1 1 1 -18 17  16 o 61.834  5.5668  475.846    82.625   497.241    95.721   413.310    163.649  62.986  6.3498  54.951  12.549  8.035725       14.06425 
1 1 1 -18 17  17 o 71.540  5.2642  635.018    90.738   644.703    105.384  607.260    178.414  71.815  6.1057  67.374  11.315  4.441589       12.85713 
1 1 1 -18 17  18 o 103.998 4.2387  1328.29    106.960  1350.76    151.179  1305.76    151.350  104.076 6.0122  102.269 6.1275  1.807037       8.584398 
1 1 1 -18 17  19 f 97.922  4.1799  1178.38    99.314   1180.71    140.139  1176.04    140.766  97.205  5.9706  96.993  6.0109  0.2121811      8.472217 
1 1 1 -18 17  20 o 13.425  6.0533  -19.6014   41.705   5.2443     51.072   -69.3289   72.253   16.947  7.1784  15.771  7.4093  1.175773       10.31632 
1 1 1 -18 17  21 o 50.511  5.2609  320.074    63.531   249.855    83.613   415.988    97.721   43.522  8.2190  56.889  7.2437  -13.36696      10.95546 
1 1 1 -18 17  22 o 82.698  6.1044  862.448    121.624  776.419    142.559  1092.54    233.145  77.597  7.6720  89.616  10.950  -12.01871      13.37002 
1 1 1 -18 17  23 o 44.004  7.5601  253.918    77.812   258.628    84.657   228.276    197.532  44.143  8.2059  40.404  15.050  3.738842       17.14152 
1 1 1 -18 17  24 o 50.166  7.1800  327.064    84.905   281.500    94.353   521.008    194.663  45.727  8.8235  59.003  13.837  -13.27633      16.41062 
1 1 1 -18 17  25 o 86.220  4.4313  923.546    92.391   887.268    126.906  964.460    134.770  83.509  6.3096  87.007  6.4293  -3.497185      9.008139 
1 1 1 -18 17  26 o 28.990  7.9024  112.880    57.111   111.632    80.837   114.125    80.697   29.104  9.7355  29.344  9.7241  -0.2407532     13.75999 
1 1 1 -18 17  27 o 62.366  5.0677  488.995    76.025   489.108    106.570  488.876    108.486  61.249  7.3156  61.148  7.4670  0.1010895      10.45345 
1 1 1 -18 17  28 o 34.820  7.3785  161.843    60.401   155.572    90.681   166.844    80.979   33.372  10.230  34.650  9.3953  -1.277481      13.88942 
1 1 1 -18 17  29 o 42.100  8.4047  240.655    82.848   440.001    197.546  198.110    91.262   52.168  14.878  37.459  9.8936  14.70881       17.86744 
1 1 1 -18 17  30 o 34.099  10.136  165.023    90.020   355.871    202.882  118.240    100.449  46.154  15.423  29.977  10.803  16.17668       18.83046 
1 1 1 -18 17  31 o 28.238  10.075  104.292    87.156   -17.8279   194.053  135.152    97.548   28.193  12.848  31.186  10.693  -2.993574      16.71601 
1 1 1 -18 17  32 o 44.867  6.4642  263.968    68.342   233.488    97.536   293.365    95.788   40.176  10.035  45.907  8.9209  -5.730225      13.42690 
1 1 1 -18 17  33 o 25.783  8.5462  89.478     62.330   41.687     86.330   141.517    90.085   23.007  9.5083  31.341  10.269  -8.334356      13.99483 
1 1 1 -18 17  34 o 24.733  8.4346  81.418     60.688   90.203     85.823   72.632     85.829   26.511  9.9111  25.092  9.7791  1.418789       13.92338 
1 1 1 -18 17  35 o 43.306  6.7751  251.635    68.857   279.707    97.677   223.903    97.083   43.840  9.4600  38.568  10.213  5.272301       13.92103 
1 1 1 -18 17  36 o 17.680  7.7080  3.1144     62.184   -6.0662    88.400   12.107     87.490   19.984  8.9272  20.882  9.1222  -0.8977184     12.76360 
1 1 1 -18 17  37 o 23.436  8.6584  70.609     65.117   54.159     93.013   86.421     91.192   23.730  9.8433  25.905  10.084  -2.174885      14.09197 
1 1 1 -18 17  38 o 29.289  8.8219  126.529    67.856   179.821    91.510   61.432     101.137  33.911  10.252  24.523  10.226  9.388691       14.47968 
1 1 1 -18 17  39 o 22.649  8.5665  64.330     64.514   -26.1386   89.782   160.909    92.764   18.895  8.6597  31.952  10.418  -13.05700      13.54715 
1 1 1 -18 17  40 o 21.049  9.1828  19.248     88.389   13.106     93.666   69.200     267.117  21.143  9.3308  30.459  14.289  -9.315754      17.06586 
1 1 1 -18 17  41 o 37.347  11.178  229.289    109.202  195.942    118.279  421.879    284.251  34.121  11.770  40.689  17.068  -6.567902      20.73331 
1 1 1 -18 17  42 o 42.029  7.5272  247.438    73.943   254.268    99.022   238.829    111.170  40.473  10.112  38.114  11.248  2.358875       15.12545 
1 1 1 -18 17  43 o 55.516  6.1148  411.043    81.004   340.694    111.469  489.767    117.917  47.058  10.067  58.262  8.5997  -11.20419      13.23998 
1 1 1 -18 17  44 o 17.719  8.2433  -41.5466   85.907   101.472    202.437  -72.9593   94.874   29.491  13.314  17.442  8.2822  12.04948       15.67947 
1 1 1 -18 17  45 o 27.588  10.581  116.143    99.289   -184.4194  237.943  179.513    109.256  23.894  11.750  32.407  11.305  -8.513302      16.30540 
1 1 1 -18 18  1  o 58.825  11.494  451.827    158.177  0.0000     0.0000   451.827    158.177  ?       ?       58.825  11.494  0.000000       11.49418 
1 1 1 -18 18  2  o 62.032  6.1690  477.360    91.622   0.0000     0.0000   477.360    91.622   ?       ?       62.032  6.1690  0.000000       6.168998 
1 1 1 -18 18  3  o 64.335  7.7012  519.206    117.829  0.0000     0.0000   519.206    117.829  ?       ?       64.335  7.7012  0.000000       7.701243 
1 1 1 -18 18  4  o 75.637  6.2637  708.219    113.921  572.220    206.285  767.896    136.648  65.612  13.410  78.521  7.2542  -12.90960      15.24662 
1 1 1 -18 18  5  o 36.255  8.6521  170.077    75.054   133.539    132.391  187.380    91.108   34.515  12.406  37.947  9.8197  -3.431076      15.82221 
1 1 1 -18 18  6  o 136.691 6.1120  2298.03    202.717  2341.42    314.825  2267.30    264.952  136.334 9.5778  134.842 8.1361  1.491455       12.56705 
1 1 1 -18 18  7  o 128.846 6.0618  2042.32    189.510  2033.00    296.698  2048.74    246.300  126.854 9.7131  128.180 7.9585  -1.326408      12.55714 
1 1 1 -18 18  8  o 145.345 4.4760  2583.35    157.855  2572.22    221.093  2594.93    225.453  144.470 6.3072  145.071 6.4049  -0.6009674     8.989058 
1 1 1 -18 18  9  o 83.617  4.0224  854.000    81.611   694.980    113.346  1025.19    117.602  74.815  6.3026  91.233  5.3357  -16.41747      8.257868 
1 1 1 -18 18  10 o 103.474 4.1611  1308.90    104.472  1325.40    144.829  1290.99    150.846  103.604 5.7844  102.141 6.1146  1.462242       8.417111 
1 1 1 -18 18  11 o 11.584  5.4901  -49.0323   41.294   -44.3290   52.871   -56.3889   66.123   14.018  6.5029  15.589  7.2457  -1.571554      9.735921 
1 1 1 -18 18  12 o 25.652  7.1606  84.279     46.270   64.856     61.140   110.313    70.785   24.016  8.4522  29.462  9.0391  -5.445431      12.37520 
1 1 1 -18 18  13 o 37.769  6.0254  180.524    53.363   182.202    70.863   178.325    81.101   37.444  8.0398  36.828  9.1230  0.6169167      12.16008 
1 1 1 -18 18  14 o 114.138 4.2693  1597.06    118.237  1586.45    166.921  1607.74    167.506  112.992 6.1111  113.758 6.0906  -0.7667160     8.627919 
1 1 1 -18 18  15 o 57.862  4.7473  414.485    66.064   473.681    92.123   351.812    94.790   61.448  6.2664  52.411  7.6818  9.037342       9.913530 
1 1 1 -18 18  16 o 69.935  5.4101  608.327    91.089   665.366    106.254  450.182    176.924  72.936  6.0588  56.797  13.105  16.13895       14.43746 
1 1 1 -18 18  17 o 70.561  4.4264  614.850    75.401   651.429    107.498  579.426    105.789  72.039  6.2106  67.799  6.5106  4.239883       8.997772 
1 1 1 -18 18  18 o 36.684  6.2741  172.510    53.839   220.360    76.079   124.506    76.200   41.017  7.9311  30.781  9.3660  10.23605       12.27290 
1 1 1 -18 18  19 f 92.021  4.2433  1042.78    94.745   934.336    135.127  1147.65    132.880  86.022  6.5225  95.792  5.7435  -9.770622      8.690848 
1 1 1 -18 18  20 o 35.150  6.2892  159.389    51.670   211.040    69.080   93.793     77.848   40.198  7.3534  27.572  9.5470  12.62623       12.05064 
1 1 1 -18 18  21 o 16.236  7.2198  -16.0586   57.123   -41.2531   60.239   208.713    179.928  15.232  7.0222  39.096  14.402  -23.86394      16.02256 
1 1 1 -18 18  22 o 60.403  6.7938  468.318    97.843   448.466    109.675  545.721    216.562  58.531  7.9264  59.571  14.994  -1.040039      16.95981 
1 1 1 -18 18  23 o 35.918  8.3395  174.081    71.284   171.961    77.588   185.555    180.530  35.480  8.9991  37.339  14.280  -1.859409      16.87910 
1 1 1 -18 18  24 o 52.245  5.2261  344.365    65.362   353.525    88.501   333.373    96.947   52.085  7.1949  50.016  8.2779  2.068577       10.96771 
1 1 1 -18 18  25 o 57.645  5.5862  421.242    77.154   411.092    109.673  431.187    108.561  55.501  8.4072  57.061  8.0658  -1.560104      11.65067 
1 1 1 -18 18  26 o 29.394  8.3864  117.028    62.752   159.464    97.051   86.540     82.262   33.751  10.622  26.751  9.7554  7.000595       14.42220 
1 1 1 -18 18  27 o 48.552  5.6933  301.009    65.798   336.742    94.575   267.490    91.600   50.235  8.0294  44.246  8.8414  5.989143       11.94328 
1 1 1 -18 18  28 o 23.549  9.1342  56.428     74.610   182.297    192.294  34.120     80.952   36.592  14.522  22.367  9.2221  14.22513       17.20266 
1 1 1 -18 18  29 o 50.151  8.2589  339.704    97.001   354.399    207.091  335.573    109.789  45.798  15.581  49.019  9.5741  -3.220623      18.28753 
1 1 1 -18 18  30 o 60.691  7.8014  491.920    112.224  402.411    225.477  521.394    129.389  47.553  16.258  61.694  8.9011  -14.14017      18.53486 
1 1 1 -18 18  31 o 21.319  8.0182  50.156     56.336   -3.7467    78.719   106.747    80.659   19.479  8.5773  28.093  9.7183  -8.613930      12.96210 
1 1 1 -18 18  32 o 31.229  7.9240  135.412    60.140   157.214    86.556   115.062    83.623   32.848  9.9792  28.775  9.8986  4.073706       14.05589 
1 1 1 -18 18  33 o 52.472  5.9422  358.885    74.322   368.337    107.490  350.227    102.877  51.029  9.0108  49.877  8.8235  1.152004       12.61147 
1 1 1 -18 18  34 o 79.197  5.0000  800.480    95.589   940.894    136.181  664.107    134.208  84.259  6.7167  69.390  8.1249  14.86960       10.54175 
1 1 1 -18 18  35 o 18.701  7.7939  22.528     58.708   81.686     85.705   -29.7696   80.583   25.440  9.8115  17.958  8.2205  7.482412       12.80012 
1 1 1 -18 18  36 o 39.187  7.6711  215.359    70.329   274.055    99.127   155.869    99.796   42.618  9.7918  31.604  10.816  11.01383       14.58977 
1 1 1 -18 18  37 o 19.382  7.9669  30.910     60.187   104.221    87.736   -34.2568   82.720   27.015  10.036  17.819  8.2196  9.195745       12.97271 
1 1 1 -18 18  38 o 31.507  8.6217  147.085    67.827   170.809    95.359   122.793    96.494   32.701  10.555  28.537  10.541  4.163607       14.91692 
1 1 1 -18 18  39 o 39.641  10.782  253.832    106.457  194.378    114.595  628.398    287.633  33.987  11.590  48.538  18.145  -14.55120      21.53046 
1 1 1 -18 18  40 o 35.948  11.267  214.780    109.321  145.918    118.250  619.777    286.772  30.320  11.566  48.265  18.103  -17.94528      21.48229 
1 1 1 -18 18  41 o 40.195  8.2023  232.873    77.288   326.714    108.581  136.496    110.038  46.125  9.9909  29.669  11.196  16.45571       15.00564 
1 1 1 -18 18  42 o 56.441  6.2420  426.873    84.053   410.804    114.541  445.624    123.727  52.509  9.3320  54.275  9.7536  -1.765938      13.49885 
1 1 1 -18 18  43 o 18.878  8.6078  -18.0610   87.237   470.749    259.143  -80.5343   92.644   42.680  16.883  16.933  8.0810  25.74699       18.71767 
1 1 1 -18 18  44 o 36.864  11.300  233.726    110.648  281.013    282.473  225.155    120.258  34.484  15.632  35.527  11.874  -1.043907      19.63087 
1 1 1 -18 19  1  o 171.874 8.9457  3700.07    371.779  0.0000     0.0000   3700.07    371.779  ?       ?       171.874 8.9457  0.000000       8.945721 
1 1 1 -18 19  2  o 103.080 7.3995  1322.07    183.842  0.0000     0.0000   1322.07    183.842  ?       ?       103.080 7.3995  0.000000       7.399546 
1 1 1 -18 19  3  o 15.182  6.9929  -44.4142   59.564   81.954     150.738  -67.7965   64.840   32.315  12.847  14.887  7.0018  17.42854       14.63119 
1 1 1 -18 19  4  o 15.117  6.9592  -43.4492   58.877   -202.1164  111.278  18.237     69.384   16.867  8.2402  20.716  8.5392  -3.848885      11.86665 
1 1 1 -18 19  5  o 120.018 5.9906  1772.84    174.452  1661.07    276.543  1846.71    224.833  114.305 10.074  121.724 7.6513  -7.418167      12.65009 
1 1 1 -18 19  6  o 92.795  4.0230  1051.76    90.582   1102.96    126.245  997.435    130.045  94.591  5.5245  89.807  6.0025  4.784286       8.157812 
1 1 1 -18 19  7  o 7.2048  3.6410  -104.6744  30.868   -111.2104  38.491   -92.8943   51.674   8.5534  4.2893  11.613  5.6605  -3.059210      7.102062 
1 1 1 -18 19  8  o 53.777  4.7284  357.073    61.071   346.254    83.130   369.759    90.015   52.497  6.6774  54.183  7.0112  -1.686470      9.682129 
1 1 1 -18 19  9  o 101.045 4.1182  1248.76    100.968  1228.73    140.865  1269.93    144.799  99.660  5.8509  101.300 5.9167  -1.640411      8.321130 
1 1 1 -18 19  10 o 101.282 4.1035  1255.13    100.845  1301.93    140.637  1205.61    144.680  102.609 5.6707  98.590  6.0776  4.019081       8.312305 
1 1 1 -18 19  11 o 70.612  4.3124  613.171    73.532   551.811    101.334  681.415    106.867  66.437  6.3639  74.001  6.0035  -7.563438      8.748809 
1 1 1 -18 19  12 o 82.860  4.1998  843.500    84.162   797.776    114.577  897.078    124.029  80.077  5.9392  84.896  6.0609  -4.819519      8.485799 
1 1 1 -18 19  13 o 116.104 4.2332  1653.44    119.256  1382.75    164.322  1954.67    173.346  105.232 6.4668  125.690 5.6839  -20.45798      8.609686 
1 1 1 -18 19  14 o 14.996  6.4483  -1.6654    42.326   -9.9572    57.203   8.3672     62.921   16.797  7.3561  18.950  7.9939  -2.152452      10.86345 
1 1 1 -18 19  15 o 30.473  8.2821  122.060    62.839   70.564     69.171   365.326    150.342  25.007  8.9698  51.316  12.245  -26.30956      15.17876 
1 1 1 -18 19  16 o 48.089  5.1331  289.211    58.970   346.698    82.541   229.281    84.278   52.204  6.6687  41.635  8.6260  10.56865       10.90318 
1 1 1 -18 19  17 o 73.794  4.3814  673.258    78.100   624.355    111.081  721.065    109.830  70.225  6.5963  75.762  6.0243  -5.536308      8.933317 
1 1 1 -18 19  18 o 91.241  4.2326  1025.79    93.704   985.052    133.627  1065.21    131.436  88.402  6.2704  92.134  5.9105  -3.731598      8.616946 
1 1 1 -18 19  19 f 111.984 4.3514  1548.30    118.235  1547.74    167.066  1548.86    167.353  110.796 6.2399  110.830 6.2487  -0.3450012E-01 8.830709 
1 1 1 -18 19  20 o 143.648 6.4030  2605.48    223.178  2682.99    286.724  2486.32    355.489  143.730 8.2562  135.054 10.942  8.675629       13.70754 
1 1 1 -18 19  21 o 53.160  6.9554  365.348    87.564   330.225    100.382  477.144    179.089  49.699  8.6378  56.822  13.236  -7.123936      15.80476 
1 1 1 -18 19  22 o 28.292  8.6501  106.750    64.888   115.902    69.116   38.719     188.433  29.370  8.9162  30.682  13.396  -1.312143      16.09197 
1 1 1 -18 19  23 o 21.238  7.4659  53.232     47.694   92.622     62.791   -0.4869    73.328   26.594  8.5631  19.339  8.4012  7.255054       11.99612 
1 1 1 -18 19  24 o 19.535  7.9143  26.761     58.348   -63.4422   90.733   90.369     76.192   18.238  8.4804  26.812  9.4355  -8.574562      12.68641 
1 1 1 -18 19  25 o 18.716  7.7594  18.182     57.752   -51.7150   87.847   71.388     76.643   18.364  8.4709  25.052  9.3660  -6.687912      12.62850 
1 1 1 -18 19  26 o 95.860  4.7434  1146.80    110.329  1193.70    154.476  1097.97    157.630  96.324  6.6501  91.986  7.1178  4.337921       9.741006 
1 1 1 -18 19  27 o 84.943  6.6723  931.792    136.413  1189.43    255.338  828.887    161.373  90.492  11.919  78.547  8.6081  11.94460       14.70245 
1 1 1 -18 19  28 o 63.846  7.6442  540.507    116.067  635.362    234.497  509.729    133.577  61.510  15.668  60.750  9.3627  0.7601395      18.25258 
1 1 1 -18 19  29 o 42.642  9.1878  255.225    92.259   248.664    201.824  256.958    103.731  39.325  15.085  42.130  10.246  -2.805367      18.23531 
1 1 1 -18 19  30 o 41.967  6.5245  232.324    64.281   160.607    91.749   301.466    90.087   33.224  10.307  46.910  8.2140  -13.68565      13.17981 
1 1 1 -18 19  31 o 33.214  7.7029  152.340    60.873   225.928    87.365   82.905     84.864   39.700  9.2423  25.937  9.8215  13.76342       13.48633 
1 1 1 -18 19  32 f 27.642  8.2952  107.154    60.077   118.276    89.847   98.159     80.796   28.935  10.239  26.941  9.6910  1.993624       14.09818 
1 1 1 -18 19  33 o 29.930  8.5726  128.582    65.442   167.266    96.694   95.887     88.894   33.094  10.623  26.830  10.076  6.263969       14.64150 
1 1 1 -18 19  34 o 15.341  7.0540  -30.6086   60.246   57.695     91.284   -98.7556   80.191   23.932  9.8214  15.130  7.2969  8.801992       12.23537 
1 1 1 -18 19  35 o 25.118  8.7024  87.940     64.689   93.172     91.647   82.744     91.321   26.336  10.149  25.536  10.048  0.7992592      14.28130 
1 1 1 -18 19  36 o 16.752  7.4381  -5.0388    60.410   74.609     85.048   -86.1459   85.824   24.505  9.6790  16.097  7.7080  8.408264       12.37319 
1 1 1 -18 19  37 o 52.749  6.1294  372.194    76.988   377.347    110.405  367.315    107.412  50.181  9.4132  49.651  9.2564  0.5301056      13.20185 
1 1 1 -18 19  38 o 36.162  10.389  209.462    95.976   198.088    108.734  249.581    204.209  34.412  11.282  35.230  14.597  -0.8173943     18.44864 
1 1 1 -18 19  39 o 49.996  10.027  384.873    117.404  402.081    128.721  299.715    286.347  50.153  10.890  36.114  16.105  14.03810       19.44094 
1 1 1 -18 19  40 o 22.535  8.8494  60.229     70.708   43.281     99.573   77.469     100.426  23.149  9.9204  25.279  10.329  -2.130398      14.32173 
1 1 1 -18 19  41 o 20.199  8.3977  33.862     67.919   44.584     95.738   22.998     96.369   22.947  9.7778  21.775  9.5416  1.171547       13.66190 
1 1 1 -18 19  42 o 26.689  10.531  100.976    100.588  160.921    264.385  90.830     108.768  31.899  14.707  26.252  10.741  5.646540       18.21204 
1 1 1 -18 19  43 f 19.228  8.6066  0.8180     82.608   -278.4526  258.035  32.709     87.197   23.295  11.592  21.393  9.2272  1.902735       14.81611 
1 1 1 -18 20  1  o 97.645  7.3839  1189.47    173.651  0.0000     0.0000   1189.47    173.651  ?       ?       97.645  7.3839  0.000000       7.383892 
1 1 1 -18 20  2  f 81.196  7.1977  823.481    140.336  0.0000     0.0000   823.481    140.336  ?       ?       81.196  7.1977  0.000000       7.197731 
1 1 1 -18 20  3  o 66.990  6.3466  558.674    101.929  871.311    197.704  445.486    118.958  82.402  10.100  59.114  8.5412  23.28768       13.22703 
1 1 1 -18 20  4  o 92.501  5.7346  1057.22    128.077  1079.75    211.805  1044.23    160.809  92.011  9.6298  91.416  7.3109  0.5944519      12.09058 
1 1 1 -18 20  5  o 8.1803  4.0827  -87.4959   33.007   -142.1444  44.182   -18.4777   49.652   8.7854  4.4298  15.049  6.7088  -6.263398      8.039371 
1 1 1 -18 20  6  o 11.209  5.2738  -39.2703   36.840   -73.0677   49.253   3.6493     55.504   11.960  5.7560  17.634  7.4772  -5.674100      9.436104 
1 1 1 -18 20  7  f 14.463  6.1981  -1.1892    38.867   -9.4251    52.761   8.5833     57.472   16.204  7.0811  18.304  7.6762  -2.100046      10.44350 
1 1 1 -18 20  8  o 26.178  6.8366  88.281     43.897   61.663     58.910   121.515    65.825   23.481  8.2930  30.605  8.5399  -7.124361      11.90394 
1 1 1 -18 20  9  o 93.751  4.0602  1076.01    92.361   983.617    128.678  1174.19    132.648  88.974  5.9954  97.374  5.6384  -8.399437      8.230227 
1 1 1 -18 20  10 o 88.354  4.0770  956.273    87.403   855.003    122.284  1062.05    124.973  82.833  6.1276  92.562  5.5907  -9.728302      8.294795 
1 1 1 -18 20  11 o 14.117  6.1580  -6.5835    39.737   -9.0388    50.826   -2.7228    63.734   15.867  6.9416  18.280  7.8867  -2.413518      10.50648 
1 1 1 -18 20  12 o 15.824  6.6104  7.4148     42.371   -7.1333    54.678   29.281     67.034   16.605  7.2338  21.109  8.5070  -4.504200      11.16677 
1 1 1 -18 20  13 o 101.310 4.1880  1260.60    102.949  1278.47    143.263  1241.51    148.037  101.280 5.8547  99.664  6.1517  1.616898       8.492404 
1 1 1 -18 20  14 o 40.469  5.5306  206.737    52.886   194.798    70.174   222.434    80.460   38.586  7.7641  41.096  8.3537  -2.509808      11.40463 
1 1 1 -18 20  15 o 45.669  5.2338  261.746    56.950   263.229    76.847   259.940    84.822   45.135  7.2633  44.513  8.1539  0.6223602      10.91981 
1 1 1 -18 20  16 o 99.417  4.2819  1218.04    103.292  1183.21    146.335  1252.63    145.821  96.955  6.2537  99.886  6.0451  -2.930809      8.697756 
1 1 1 -18 20  17 o 115.370 4.2839  1642.01    119.922  1587.22    169.948  1696.35    169.244  112.218 6.2665  116.186 6.0241  -3.967682      8.692441 
1 1 1 -18 20  18 o 62.862  4.6411  491.992    70.290   488.084    99.407   495.900    99.404   61.753  6.7439  62.280  6.6825  -0.5260963     9.493931 
1 1 1 -18 20  19 o 51.466  6.8079  341.666    82.930   431.617    99.951   142.928    148.567  57.693  7.3035  34.023  12.968  23.67061       14.88330 
1 1 1 -18 20  20 o 51.282  6.6669  339.212    80.994   286.277    97.148   459.883    146.677  45.939  9.0374  57.276  10.953  -11.33736      14.20030 
1 1 1 -18 20  21 o 89.610  5.8539  1016.21    126.582  958.193    156.214  1127.14    216.012  85.822  7.5795  91.013  9.9434  -5.190842      12.50283 
1 1 1 -18 20  22 o 82.640  4.4875  850.744    89.645   806.796    122.504  901.405    131.530  79.403  6.4132  83.886  6.5131  -4.483200      9.140518 
1 1 1 -18 20  23 o 81.881  5.0280  841.529    99.410   932.417    140.360  750.050    140.816  85.009  6.8633  75.544  7.7942  9.464661       10.38533 
1 1 1 -18 20  24 o 61.128  5.5353  474.246    81.210   570.700    118.440  388.666    111.565  65.921  7.5403  53.468  8.9132  12.45339       11.67482 
1 1 1 -18 20  25 o 71.180  5.1683  639.163    88.654   684.595    125.956  594.558    124.804  72.365  7.2719  67.027  7.8210  5.338028       10.67930 
1 1 1 -18 20  26 o 135.818 6.2299  2356.80    205.305  4718.09    351.331  1132.32    252.997  189.791 7.6292  87.731  12.216  102.0597       14.40299 
1 1 1 -18 20  27 o 43.006  9.0242  257.536    91.165   99.566     195.428  301.474    103.066  32.435  13.899  46.326  9.4883  -13.89128      16.82880 
1 1 1 -18 20  28 o 58.513  7.8246  459.722    108.309  408.397    229.640  474.406    122.829  47.281  16.396  58.653  8.9110  -11.37209      18.66068 
1 1 1 -18 20  29 o 54.685  5.5429  384.273    72.532   432.578    102.618  336.048    102.533  56.696  7.6552  49.011  8.9517  7.684464       11.77861 
1 1 1 -18 20  30 o 13.576  6.3233  -38.7550   50.780   -61.1283   75.035   -19.8494   68.975   16.047  7.5425  17.269  7.7858  -1.221573      10.84011 
1 1 1 -18 20  31 f 35.292  7.7806  173.437    64.834   111.080    95.917   225.895    87.975   28.389  10.504  39.381  9.3470  -10.99193      14.06087 
1 1 1 -18 20  32 o 23.191  8.1303  70.600     56.543   64.224     80.922   76.684     79.039   23.877  9.4380  24.788  9.4563  -0.9106903     13.36027 
1 1 1 -18 20  33 o 14.874  6.7835  -23.1898   54.219   -43.2748   76.154   -2.5435    77.211   16.760  7.7854  18.951  8.4119  -2.190289      11.46180 
1 1 1 -18 20  34 o 29.284  8.9568  127.022    69.563   133.158    100.468  121.372    96.412   29.562  10.781  28.588  10.541  0.9745884      15.07757 
1 1 1 -18 20  35 o 20.374  8.3188  38.548     65.072   10.978     94.108   63.806     90.077   21.030  9.3132  23.913  9.7784  -2.883522      13.50375 
1 1 1 -18 20  36 o 14.694  6.8822  -43.8647   61.546   -36.0537   90.180   -50.6749   84.205   18.392  8.5184  17.164  8.0429  1.227903       11.71542 
1 1 1 -18 20  37 o 64.229  7.9779  586.074    121.655  629.127    140.316  455.734    244.146  65.185  9.1213  42.889  16.555  22.29549       18.90116 
1 1 1 -18 20  38 o 45.660  9.6686  319.202    103.782  330.085    117.779  281.406    219.493  45.139  10.881  36.119  15.063  9.020294       18.58200 
1 1 1 -18 20  39 o 27.501  8.7760  112.269    66.065   111.978    94.267   112.550    92.614   27.488  10.365  27.514  10.294  -0.2643013E-01 14.60822 
1 1 1 -18 20  40 o 24.667  8.7024  86.134     64.852   28.007     91.101   145.853    92.340   21.611  9.3761  30.302  10.403  -8.691555      14.00484 
1 1 1 -18 20  41 o 23.255  9.9178  49.721     98.655   172.243    278.462  32.135     105.498  32.109  14.906  22.712  9.9669  9.396873       17.93081 
1 1 1 -18 20  42 o 22.676  9.8007  42.724     98.781   269.239    283.406  11.400     105.390  33.847  15.465  21.516  9.6696  12.33058       18.23896 
1 1 1 -18 20  43 o 23.152  9.7468  60.495     93.236   339.607    268.026  22.070     99.447   34.967  15.588  21.373  9.5139  13.59325       18.26184 
1 1 1 -18 21  1  o 46.731  8.6570  282.301    94.546   0.0000     0.0000   282.301    94.546   ?       ?       46.731  8.6570  0.000000       8.656983 
1 1 1 -18 21  2  o 14.712  6.6162  -22.7428   49.440   -31.7603   79.689   -17.0997   63.040   18.810  8.4339  17.293  7.6421  1.516592       11.38123 
1 1 1 -18 21  3  o 36.395  5.5726  166.762    47.645   59.264     66.641   279.166    68.145   23.896  8.7705  47.165  6.0973  -23.26852      10.68166 
1 1 1 -18 21  4  o 43.457  4.9713  234.922    51.476   244.722    72.471   224.943    73.131   43.848  7.0505  41.885  7.4697  1.963017       10.27157 
1 1 1 -18 21  5  o 62.086  4.3651  474.634    65.341   397.828    89.779   561.138    95.278   56.225  6.7135  67.145  5.9083  -10.91936      8.943127 
1 1 1 -18 21  6  o 92.076  4.0760  1037.98    91.064   953.466    126.448  1129.04    131.254  87.598  5.9850  95.458  5.6927  -7.860344      8.259945 
1 1 1 -18 21  7  o 66.978  4.2236  551.955    68.289   517.083    94.282   590.440    99.046   64.325  6.1142  68.810  5.9921  -4.485039      8.560850 
1 1 1 -18 21  8  o 73.692  4.2205  668.042    75.152   610.233    103.353  732.898    109.472  69.872  6.1591  76.698  5.9284  -6.825760      8.548755 
1 1 1 -18 21  9  o 80.366  4.1731  794.331    81.095   691.631    112.760  904.361    116.714  74.319  6.3128  85.292  5.6720  -10.97270      8.486637 
1 1 1 -18 21  10 o 140.104 4.3937  2412.39    149.365  2375.03    209.464  2451.04    213.048  138.110 6.2506  140.298 6.2584  -2.187973      8.845167 
1 1 1 -18 21  11 o 61.604  4.5276  469.561    67.203   431.357    91.814   513.649    98.631   58.392  6.5958  63.828  6.4573  -5.435837      9.230486 
1 1 1 -18 21  12 o 125.297 4.3282  1931.69    131.587  1822.63    182.734  2049.16    189.644  120.640 6.2641  128.170 6.0980  -7.529404      8.742151 
1 1 1 -18 21  13 o 93.070  4.2088  1065.91    95.045   1001.40    131.342  1136.83    137.713  89.334  6.0957  95.261  5.9884  -5.926949      8.545097 
1 1 1 -18 21  14 o 84.933  4.2450  888.713    87.483   811.470    119.770  977.058    128.087  80.255  6.1986  88.192  6.0217  -7.937492      8.641914 
1 1 1 -18 21  15 o 45.175  5.3435  257.263    57.438   172.964    77.268   361.378    85.870   35.811  8.9244  53.083  6.8250  -17.27190      11.23504 
1 1 1 -18 21  16 o 64.273  4.9671  515.979    76.863   409.209    114.733  602.916    103.530  55.496  8.8151  68.949  6.2564  -13.45283      10.80970 
1 1 1 -18 21  17 o 31.092  8.6088  130.296    67.165   119.415    78.120   161.139    131.520  29.965  9.5412  34.743  12.378  -4.777617      15.62872 
1 1 1 -18 21  18 o 40.452  7.8357  217.615    74.131   246.661    87.021   140.770    141.543  42.743  8.6867  33.510  12.685  9.233112       15.37452 
1 1 1 -18 21  19 o 46.662  7.2226  285.092    79.134   230.297    92.966   429.238    150.784  40.790  9.5598  54.618  11.728  -13.82872      15.13061 
1 1 1 -18 21  20 o 79.228  6.0765  798.936    115.924  861.701    140.866  667.245    204.044  81.549  7.1928  67.115  12.999  14.43324       14.85649 
1 1 1 -18 21  21 o 97.815  4.7546  1193.12    112.846  1141.59    153.811  1253.18    166.069  94.172  6.7766  98.504  6.9936  -4.332062      9.738232 
1 1 1 -18 21  22 o 60.396  5.6576  463.987    81.943   436.195    116.541  491.162    115.240  56.808  8.7346  60.812  8.0045  -4.003605      11.84755 
1 1 1 -18 21  23 o 41.013  7.1026  222.446    68.122   210.504    100.761  232.499    92.452   38.275  10.523  40.740  9.5233  -2.464573      14.19229 
1 1 1 -18 21  24 o 26.241  8.5291  91.230     62.194   -129.6287  92.494   273.497    84.026   16.029  7.7569  45.071  7.9752  -29.04119      11.12534 
1 1 1 -18 21  25 o 29.610  9.8528  120.186    82.817   153.605    199.622  113.239    91.019   34.976  14.457  29.157  10.307  5.819597       17.75507 
1 1 1 -18 21  26 o 23.083  9.0716  53.244     74.359   -205.5537  193.870  97.883     80.517   23.229  11.238  27.348  9.6915  -4.119453      14.83977 
1 1 1 -18 21  27 o 38.800  9.6337  216.361    90.279   104.402    215.956  240.071    99.380   32.898  14.353  40.610  10.122  -7.712234      17.56274 
1 1 1 -18 21  28 o 41.349  6.8717  228.379    66.523   225.229    96.840   231.193    91.539   39.119  10.124  40.010  9.5598  -0.8908424     13.92442 
1 1 1 -18 21  29 o 32.373  7.9243  146.472    61.742   162.154    88.432   131.558    86.241   33.085  10.095  30.160  10.055  2.924894       14.24834 
1 1 1 -18 21  30 o 25.226  8.2358  87.507     57.966   155.029    83.952   25.988     80.133   32.296  9.8317  21.149  8.9768  11.14687       13.31333 
1 1 1 -18 21  31 o 29.580  8.3330  125.592    62.364   155.873    92.373   100.231    84.538   31.965  10.395  26.935  9.8793  5.030474       14.34055 
1 1 1 -18 21  32 o 51.750  5.9550  353.841    73.411   455.587    104.985  256.494    102.691  57.270  7.7544  40.661  10.375  16.60962       12.95245 
1 1 1 -18 21  33 o 67.843  5.3692  599.302    87.663   589.279    121.045  610.357    127.126  64.868  7.8503  65.698  8.1498  -0.8305969     11.31575 
1 1 1 -18 21  34 o 41.669  7.5186  244.671    73.220   255.063    106.193  235.254    101.093  39.672  10.760  38.245  10.551  1.427528       15.06949 
1 1 1 -18 21  35 o 16.647  7.4903  -11.3195   63.460   116.677    96.310   -109.5328  84.364   27.802  10.478  15.083  7.3249  12.71939       12.78484 
1 1 1 -18 21  36 o 48.229  9.4114  352.744    106.182  279.957    120.717  601.579    223.202  40.347  11.669  52.413  16.046  -12.06606      19.84022 
1 1 1 -18 21  37 o 17.508  8.1283  -37.5161   82.828   -84.2741   90.432   205.953    206.355  16.539  7.9177  32.972  14.208  -16.43344      16.26550 
1 1 1 -18 21  38 o 27.707  8.9256  115.117    68.214   192.752    94.717   31.460     98.323   34.481  10.431  22.270  9.7012  12.21048       14.24501 
1 1 1 -18 21  39 o 15.501  7.0722  -21.0295   58.999   24.158     85.641   -61.8467   81.395   20.916  9.0829  16.357  7.7391  4.559387       11.93281 
1 1 1 -18 21  40 o 12.722  6.3104  -148.2919  74.033   -15.7470   233.750  -163.0701  78.052   26.846  12.819  12.861  6.3961  13.98467       14.32586 
1 1 1 -18 21  41 o 39.178  10.648  255.866    103.876  -492.0904  274.094  381.309    112.249  21.488  10.858  49.449  9.7019  -27.96160      14.56101 
1 1 1 -18 21  42 o 29.311  10.893  147.285    103.367  -423.9434  286.674  232.652    110.822  22.240  11.223  35.955  11.355  -13.71511      15.96505 
1 1 1 -18 22  1  o 39.495  6.4771  198.279    59.919   274.749    101.674  157.589    74.167   45.720  9.4764  34.658  8.8026  11.06153       12.93400 
1 1 1 -18 22  2  o 25.861  6.8943  86.205     44.050   51.194     59.923   127.370    64.976   22.442  8.3030  31.250  8.3919  -8.807814      11.80521 
1 1 1 -18 22  3  o 50.186  4.6864  311.991    56.407   281.611    77.675   345.889    82.048   47.049  7.0188  52.363  6.6046  -5.313934      9.637644 
1 1 1 -18 22  4  o 151.467 4.4360  2815.72    163.032  2799.32    228.064  2832.86    233.145  150.173 6.2589  151.014 6.3628  -0.8399200     8.925176 
1 1 1 -18 22  5  o 109.019 4.0654  1456.52    107.541  1439.43    149.669  1474.75    154.623  107.697 5.7483  108.961 5.8701  -1.264778      8.215869 
1 1 1 -18 22  6  o 34.857  6.1414  155.078    50.045   145.958    66.851   166.704    75.481   33.328  8.2985  35.528  8.8013  -2.200062      12.09664 
1 1 1 -18 22  7  o 71.292  4.2413  626.123    73.037   559.495    99.739   703.164    107.250  66.786  6.2266  75.037  5.9391  -8.250847      8.604829 
1 1 1 -18 22  8  o 74.242  4.2235  679.129    75.768   626.805    104.806  736.414    109.663  70.698  6.1715  76.761  5.9339  -6.062637      8.561496 
1 1 1 -18 22  9  o 101.316 4.1380  1261.01    101.725  1160.94    140.807  1370.25    147.122  96.360  6.0531  104.837 5.8063  -8.476952      8.387678 
1 1 1 -18 22  10 f 18.830  7.0438  34.842     43.361   56.459     58.986   9.4267     63.959   22.742  8.2658  19.095  8.0575  3.647516       11.54329 
1 1 1 -18 22  11 o 57.092  4.5784  404.672    62.891   354.051    85.459   464.474    92.886   52.629  6.8549  60.557  6.4194  -7.928101      9.391420 
1 1 1 -18 22  12 o 60.263  4.5724  450.996    66.359   481.244    90.362   415.586    97.767   61.717  6.1147  56.852  7.2526  4.865200       9.486300 
1 1 1 -18 22  13 f 23.861  7.1308  73.469     44.463   122.885    57.896   2.4234     69.421   30.420  7.8052  19.207  8.2587  11.21335       11.36340 
1 1 1 -18 22  14 o 30.351  6.9606  121.293    50.169   -7.0519    67.511   279.576    74.973   18.301  8.0036  46.533  6.8447  -28.23134      10.53129 
1 1 1 -18 22  15 o 46.432  5.3380  272.391    59.045   317.344    79.859   218.185    87.695   49.581  6.8186  39.999  9.2242  9.582539       11.47078 
1 1 1 -18 22  16 o 63.159  6.4237  509.976    97.073   378.196    112.038  906.796    194.419  52.988  9.0385  81.729  10.013  -28.74109      13.48936 
1 1 1 -18 22  17 o 28.015  8.6560  104.571    64.782   53.652     72.344   310.635    145.534  23.284  9.0047  45.721  12.677  -22.43690      15.54958 
1 1 1 -18 22  18 o 43.816  7.2782  252.822    74.664   308.815    86.692   91.979     146.930  48.334  7.6463  30.613  12.500  17.72075       14.65316 
1 1 1 -18 22  19 o 54.240  4.9342  370.382    64.228   286.755    89.228   460.305    92.526   46.168  8.2689  59.769  6.4841  -13.60078      10.50798 
1 1 1 -18 22  20 o 52.679  5.6270  353.710    70.812   317.754    96.088   396.451    104.761  48.476  8.4780  54.438  8.1843  -5.962631      11.78381 
1 1 1 -18 22  21 o 31.910  8.0269  138.791    62.093   119.130    87.110   159.100    88.532   29.734  10.105  33.578  10.068  -3.844433      14.26499 
1 1 1 -18 22  22 o 71.024  4.9928  635.346    85.497   643.215    117.326  626.436    124.844  70.268  6.9735  68.909  7.5927  1.358444       10.30918 
1 1 1 -18 22  23 o 49.149  6.2773  313.267    73.150   368.878    106.788  264.106    100.405  51.909  8.7923  43.157  9.8105  8.751858       13.17383 
1 1 1 -18 22  24 o 50.719  8.4037  350.432    99.799   401.731    217.511  336.753    112.320  47.747  15.970  48.749  9.8350  -1.001492      18.75516 
1 1 1 -18 22  25 o 41.002  9.9144  242.352    97.553   275.492    226.445  234.800    108.098  40.392  15.844  39.756  10.887  0.6355591      19.22399 
1 1 1 -18 22  26 o 63.772  7.7070  546.512    116.836  629.425    254.455  524.361    131.520  57.816  17.005  61.319  9.1170  -3.503269      19.29454 
1 1 1 -18 22  27 o 66.205  5.6687  564.939    90.184   586.542    130.846  545.389    124.471  65.232  8.4664  62.977  8.3515  2.254524       11.89237 
1 1 1 -18 22  28 o 36.112  7.9165  181.993    67.454   142.503    100.776  214.045    90.792   31.065  10.856  38.042  9.7815  -6.976337      14.61290 
1 1 1 -18 22  29 o 19.452  7.8646  32.433     57.491   53.874     81.273   10.958     81.337   23.131  9.3512  20.269  8.8267  2.861906       12.85909 
1 1 1 -18 22  30 o 39.753  7.1664  217.205    66.582   265.030    93.704   168.436    94.625   42.358  9.3659  32.971  10.501  9.386826       14.07099 
1 1 1 -18 22  31 o 53.682  5.9279  381.010    75.925   404.014    105.869  356.650    108.946  53.147  8.4957  48.956  9.5142  4.191010       12.75530 
1 1 1 -18 22  32 o 48.031  6.5449  312.681    74.290   358.224    102.598  262.485    107.712  49.434  8.8801  40.360  10.791  9.073883       13.97470 
1 1 1 -18 22  33 o 24.363  8.7236  83.132     65.400   144.880    91.070   17.376     93.979   30.227  10.332  21.233  9.3597  8.993553       13.94130 
1 1 1 -18 22  34 o 32.580  8.3866  157.883    66.691   70.087     91.744   256.256    97.114   24.178  9.8754  40.301  9.9829  -16.12314      14.04215 
1 1 1 -18 22  35 o 42.531  10.266  288.936    104.735  279.272    116.941  328.117    235.458  40.454  11.416  37.066  15.541  3.388409       19.28309 
1 1 1 -18 22  36 o 14.686  7.1737  -120.9822  84.245   -155.1640  93.004   35.274     198.850  14.762  7.2759  27.002  12.555  -12.24013      14.51112 
1 1 1 -18 22  37 o 28.700  9.2135  126.092    72.733   226.508    104.056  30.165     101.704  36.873  10.882  22.354  9.7985  14.51911       14.64373 
1 1 1 -18 22  38 o 15.514  7.1002  -22.8466   60.072   -39.2444   85.117   -6.5732    84.794   17.639  8.2060  19.118  8.6249  -1.478828      11.90489 
1 1 1 -18 22  39 o 21.333  9.2649  29.245     89.134   -34.3020   246.249  38.826     95.618   26.702  12.855  22.316  9.6438  4.386320       16.07062 
1 1 1 -18 22  40 o 23.752  9.8992  66.584     94.709   123.405    276.169  59.010     100.823  30.021  14.219  23.576  10.040  6.445286       17.40630 
1 1 1 -18 22  41 o 39.351  11.081  272.036    110.294  30.453     298.569  310.213    118.690  27.921  13.609  41.775  11.394  -13.85303      17.74938 
1 1 1 -18 23  1  o 66.841  4.7378  552.326    76.342   533.728    120.237  564.888    98.817   64.679  7.8203  67.186  6.1290  -2.507721      9.935871 
1 1 1 -18 23  2  o 66.429  4.1885  543.478    67.166   492.563    93.564   597.612    96.477   62.652  6.2377  69.212  5.7982  -6.560570      8.516370 
1 1 1 -18 23  3  o 86.495  4.0645  917.548    85.303   1011.14    119.118  819.031    122.213  90.251  5.4653  80.895  6.2755  9.356880       8.321723 
1 1 1 -18 23  4  o 48.808  4.6236  295.718    54.103   317.980    74.174   270.407    79.089   50.185  6.2250  45.863  7.3557  4.322186       9.636267 
1 1 1 -18 23  5  f 60.781  4.3351  456.353    63.514   440.544    88.796   472.916    90.886   59.136  6.2847  61.323  6.1930  -2.187325      8.823311 
1 1 1 -18 23  6  o 49.739  4.7443  307.718    56.563   350.836    78.804   261.896    81.237   52.676  6.2899  44.931  7.7302  7.744392       9.965940 
1 1 1 -18 23  7  o 53.279  4.6514  352.626    59.530   353.529    81.626   351.601    87.008   52.771  6.5130  52.444  7.0132  0.3270760      9.570970 
1 1 1 -18 23  8  o 87.290  4.1047  936.918    86.939   953.463    120.842  919.166    125.172  87.333  5.7345  85.591  6.0665  1.741722       8.347869 
1 1 1 -18 23  9  o 53.715  4.6316  358.855    59.775   313.154    81.921   410.889    87.414   49.353  7.0406  56.883  6.4473  -7.529957      9.546562 
1 1 1 -18 23  10 o 28.919  7.0201  109.891    48.763   125.081    65.489   90.991     73.052   30.643  8.5065  27.079  9.2539  3.564232       12.56963 
1 1 1 -18 23  11 o 44.758  5.1801  252.168    55.217   243.344    75.333   262.414    81.171   43.153  7.4649  44.727  7.7608  -1.574638      10.76825 
1 1 1 -18 23  12 o 50.683  4.9018  321.743    59.528   318.586    81.511   325.352    87.142   49.667  6.9544  50.005  7.4061  -0.3378944     10.15943 
1 1 1 -18 23  13 o 28.174  7.1088  105.097    48.596   98.582     62.333   115.193    77.598   27.379  8.4960  29.512  9.5211  -2.132992      12.76059 
1 1 1 -18 23  14 o 69.745  6.2049  619.040    103.908  540.425    121.250  836.427    201.626  64.183  7.9563  77.601  11.017  -13.41881      13.58999 
1 1 1 -18 23  15 o 51.095  7.1428  340.365    86.133   348.531    98.486   313.798    177.629  51.172  8.2095  45.007  14.393  6.165306       16.56983 
1 1 1 -18 23  16 o 28.438  8.4973  108.868    63.140   142.859    68.982   -66.6991   156.773  32.324  8.6324  24.535  11.317  7.788792       14.23343 
1 1 1 -18 23  17 o 14.778  6.6524  -19.6520   50.125   -3.0977    53.389   -142.7436  145.582  16.448  7.1569  21.242  10.135  -4.793840      12.40751 
1 1 1 -18 23  18 o 42.625  5.4661  232.148    55.232   189.529    75.029   282.563    81.604   37.195  8.4991  46.127  7.5525  -8.931713      11.36995 
1 1 1 -18 23  19 o 70.708  4.9702  629.148    84.731   573.194    113.298  700.158    127.633  66.215  7.1662  73.154  7.2875  -6.939148      10.22065 
1 1 1 -18 23  20 o 81.837  4.8528  841.120    95.932   732.762    130.516  968.455    141.484  74.793  7.2843  86.456  6.7993  -11.66386      9.964514 
1 1 1 -18 23  21 f 91.751  4.8262  1057.19    107.065  1038.50    146.505  1078.61    156.850  89.462  6.8001  90.853  7.1735  -1.390953      9.884299 
1 1 1 -18 23  22 o 36.819  7.1092  181.301    61.211   135.412    85.482   229.594    87.692   31.053  9.9905  40.462  9.1470  -9.409040      13.54534 
1 1 1 -18 23  23 f 13.834  6.6042  -72.5142   61.986   -274.4340  176.078  -43.9503   66.225   20.542  10.103  15.750  7.2964  4.792229       12.46209 
1 1 1 -18 23  24 o 21.904  9.0080  36.560     76.990   112.955    206.819  24.270     82.951   32.844  14.188  21.604  9.1495  11.23975       16.88268 
1 1 1 -18 23  25 o 39.343  9.8056  225.626    93.272   518.350    215.360  158.041    103.481  53.688  15.602  32.701  11.015  20.98630       19.09851 
1 1 1 -18 23  26 o 19.921  7.9777  35.237     58.549   -25.2362   91.058   77.859     76.447   19.493  8.8518  24.991  9.3518  -5.497494      12.87678 
1 1 1 -18 23  27 f 14.258  6.6172  -37.0425   54.829   -3.8218    86.551   -59.3114   70.862   20.000  8.8907  15.491  7.2964  4.509089       11.50134 
1 1 1 -18 23  28 o 32.903  8.7840  157.734    71.443   233.074    106.969  97.065     95.991   38.492  10.938  27.022  10.394  11.46917       15.08913 
1 1 1 -18 23  29 o 30.804  8.0308  136.155    60.642   22.968     89.833   230.912    82.195   21.546  9.3294  39.834  8.7439  -18.28777      12.78645 
1 1 1 -18 23  30 o 82.888  4.9385  883.985    98.873   843.426    140.010  924.332    139.644  78.174  7.4723  82.391  7.0532  -4.216797      10.27539 
1 1 1 -18 23  31 o 27.740  8.5694  113.705    63.496   125.080    86.431   100.368    93.590   28.581  10.050  26.605  10.255  1.976114       14.35876 
1 1 1 -18 23  32 o 25.250  8.8769  92.224     67.427   83.242     91.174   103.065    100.171  25.094  9.9865  26.773  10.527  -1.679468      14.51007 
1 1 1 -18 23  33 o 26.085  8.7116  100.962    64.726   147.412    87.567   45.019     96.100   30.306  10.133  22.748  9.7472  7.557669       14.05987 
1 1 1 -18 23  34 o 66.023  8.0370  626.981    126.096  606.441    143.373  697.134    264.965  62.796  9.7240  51.777  17.624  11.01853       20.12883 
1 1 1 -18 23  35 f 29.156  10.418  136.536    93.223   147.547    104.610  94.058     205.463  29.902  10.986  28.703  13.134  1.199545       17.12351 
1 1 1 -18 23  36 o 21.460  8.5399  52.911     66.668   169.565    92.831   -71.3360   95.805   32.157  10.418  17.459  8.2999  14.69766       13.31998 
1 1 1 -18 23  37 o 32.210  9.0495  159.932    73.653   282.378    106.076  45.947     102.346  41.654  10.499  23.133  9.9871  18.52110       14.49032 
1 1 1 -18 23  38 o 20.138  9.0160  6.0303     90.699   -386.3517  241.569  70.421     97.858   21.191  10.643  24.239  10.079  -3.048386      14.65796 
1 1 1 -18 23  39 o 21.706  9.6652  23.275     102.728  -119.0396  268.644  47.649     111.177  25.408  12.493  23.386  10.248  2.021734       16.15813 
1 1 1 -18 23  40 o 35.319  11.764  235.290    118.045  63.663     290.862  269.132    129.161  28.137  13.650  37.110  12.302  -8.973085      18.37572 
1 1 1 -18 24  1  o 24.579  6.9158  77.995     42.982   -25.1640   58.587   198.237    63.252   15.989  7.1954  39.232  6.8963  -23.24312      9.966571 
1 1 1 -18 24  2  o 51.976  4.6073  335.380    57.503   319.515    79.492   352.793    83.283   50.093  6.7086  52.691  6.6631  -2.598392      9.455270 
1 1 1 -18 24  3  o 55.354  4.4272  379.572    58.965   338.131    82.567   422.706    84.237   51.509  6.7704  57.926  6.0841  -6.417587      9.102455 
1 1 1 -18 24  4  o 41.318  5.1048  214.337    50.089   152.091    70.202   278.887    71.490   33.814  8.5510  46.785  6.4708  -12.97136      10.72338 
1 1 1 -18 24  5  o 36.277  7.0616  171.198    59.922   185.134    67.441   118.942    130.595  37.569  7.6580  32.305  12.196  5.264141       14.40051 
1 1 1 -18 24  6  o 59.688  5.4198  446.289    77.639   532.086    88.272   153.135    163.167  65.131  5.6413  35.748  13.599  29.38315       14.72249 
1 1 1 -18 24  7  o 89.760  4.1056  991.972    89.417   987.083    125.081  997.081    127.874  88.701  5.8444  89.098  5.9491  -0.3970795     8.339582 
1 1 1 -18 24  8  o 92.256  4.1337  1048.83    92.534   1056.16    129.189  1041.10    132.605  91.708  5.8360  90.939  6.0440  0.7694244      8.401740 
1 1 1 -18 24  9  o 38.118  5.6587  185.242    50.749   192.946    68.248   175.714    75.900   38.237  7.6234  36.080  8.7581  2.157578       11.61122 
1 1 1 -18 24  10 o 52.118  4.7733  339.720    59.694   308.693    82.816   373.272    86.120   48.736  7.2218  53.892  6.7328  -5.155960      9.873421 
1 1 1 -18 24  11 o 109.614 4.2033  1484.88    111.795  1345.71    155.674  1633.07    160.646  103.045 6.2558  113.859 5.8345  -10.81340      8.554309 
1 1 1 -18 24  12 o 121.851 4.3030  1838.23    127.224  1785.77    178.541  1892.35    181.336  118.667 6.2225  122.393 6.1061  -3.726532      8.717981 
1 1 1 -18 24  13 o 88.938  6.0127  1003.73    128.992  927.880    154.123  1181.12    235.695  84.399  7.6079  92.348  10.718  -7.949806      13.14352 
1 1 1 -18 24  14 o 19.851  7.9700  30.099     58.597   56.966     63.983   -109.6203  145.909  22.853  8.5549  22.256  10.478  0.5976334      13.52718 
1 1 1 -18 24  15 o 44.896  7.2849  266.056    76.639   338.266    85.816   -18.4278   170.334  50.793  7.1619  27.069  12.217  23.72432       14.16135 
1 1 1 -18 24  16 o 50.018  5.5049  318.788    65.704   246.402    94.175   387.440    91.713   42.004  9.4668  54.377  7.1223  -12.37290      11.84682 
1 1 1 -18 24  17 o 53.170  5.5315  360.375    70.319   445.762    100.657  278.976    98.278   58.226  7.2840  44.765  9.3496  13.46061       11.85207 
1 1 1 -18 24  18 o 45.516  6.3936  269.645    68.663   301.438    96.887   237.566    97.321   46.824  8.8520  40.861  9.9164  5.963142       13.29264 
1 1 1 -18 24  19 o 54.294  5.6752  377.319    73.660   464.902    101.936  281.610    106.559  59.421  7.2183  44.383  10.119  15.03730       12.43007 
1 1 1 -18 24  20 o 30.534  8.1917  128.488    61.949   148.603    87.485   108.258    87.733   32.329  10.071  28.559  10.117  3.770021       14.27476 
1 1 1 -18 24  21 o 64.770  7.1331  553.049    110.246  951.439    210.079  401.635    129.512  81.169  10.946  52.731  10.491  28.43767       15.16180 
1 1 1 -18 24  22 o 35.877  9.4814  184.632    83.782   256.880    177.479  163.914    95.039   39.507  14.341  33.505  10.506  6.001804       17.77767 
1 1 1 -18 24  23 o 20.416  8.7153  16.904     76.310   200.136    200.680  -14.0694   82.509   36.162  14.668  19.247  8.6095  16.91430       17.00789 
1 1 1 -18 24  24 o 47.313  7.2736  301.756    80.828   314.828    114.285  288.673    114.331  46.013  10.472  43.709  10.835  2.304054       15.06799 
1 1 1 -18 24  25 o 36.922  8.0392  190.956    69.980   303.063    103.618  96.937     94.891   45.537  9.6764  27.241  10.369  18.29579       14.18236 
1 1 1 -18 24  26 o 18.114  7.6970  14.241     59.022   127.281    90.883   -68.2078   77.618   29.474  10.309  15.958  7.5524  13.51659       12.77951 
1 1 1 -18 24  27 o 12.571  6.0800  -79.0709   56.654   -29.9213   94.645   -106.5150  70.724   19.368  8.8817  13.639  6.6423  5.729140       11.09077 
1 1 1 -18 24  28 o 25.618  8.7441  92.953     65.225   156.461    98.534   43.420     87.019   31.531  10.747  22.505  9.4423  9.026104       14.30613 
1 1 1 -18 24  29 o 58.285  6.1466  453.620    85.616   618.797    122.180  294.261    120.009  66.496  7.7159  42.084  11.449  24.41273       13.80596 
1 1 1 -18 24  30 o 43.865  7.2767  269.495    74.735   186.954    102.890  361.680    108.734  33.522  10.974  48.769  9.5304  -15.24714      14.53462 
1 1 1 -18 24  31 o 26.364  8.6170  103.332    63.449   98.540     86.350   108.955    93.540   26.031  9.8951  26.973  10.288  -0.9413071     14.27415 
1 1 1 -18 24  32 o 30.977  8.7534  146.618    68.704   143.642    95.860   149.763    98.520   29.650  10.567  30.110  10.715  -0.4603729     15.04922 
1 1 1 -18 24  33 o 26.327  9.8354  104.249    84.487   173.981    93.137   -219.7315  200.754  32.376  10.429  21.412  10.579  10.96328       14.85567 
1 1 1 -18 24  34 o 28.333  10.412  128.162    93.958   70.380     103.340  403.750    225.684  24.468  10.279  40.036  15.782  -15.56757      18.83402 
1 1 1 -18 24  35 o 18.151  7.8058  16.182     62.033   34.441     85.008   -4.6156    90.727   21.309  9.1500  19.642  8.8857  1.667036       12.75455 
1 1 1 -18 24  36 o 23.552  8.8320  76.452     68.255   86.861     91.700   63.522     102.206  25.133  10.011  24.026  10.165  1.106819       14.26681 
1 1 1 -18 24  37 o 25.073  10.201  85.130     97.418   -217.7654  248.899  139.925    105.863  23.483  11.634  29.040  10.976  -5.556648      15.99439 
1 1 1 -18 24  38 o 43.660  11.114  328.526    118.043  -38.2988   292.076  400.140    129.053  26.991  13.221  48.307  11.224  -21.31593      17.34276 
1 1 1 -18 24  39 o 26.050  10.521  106.403    102.773  269.153    261.543  76.684     111.763  32.045  14.721  24.482  10.502  7.562710       18.08260 
1 1 1 -18 25  1  o 44.728  5.1060  250.948    54.421   202.674    73.569   309.284    80.874   39.214  8.0030  49.075  6.9893  -9.861526      10.62533 
1 1 1 -18 25  2  o 7.4456  3.7567  -104.1770  32.079   -139.4783  41.564   -52.1696   50.449   8.3507  4.2204  13.066  6.1547  -4.715412      7.462773 
1 1 1 -18 25  3  o 71.113  4.1392  624.724    71.113   662.789    99.000   584.147    102.215  72.702  5.6566  67.973  6.2680  4.728249       8.443102 
1 1 1 -18 25  4  o 109.192 5.0095  1479.21    132.725  1484.79    154.357  1463.39    259.970  108.808 5.8683  104.495 10.391  4.313385       11.93367 
1 1 1 -18 25  5  o 64.049  4.3344  508.595    66.964   559.228    92.317   452.367    97.283   66.642  5.7659  59.426  6.8737  7.216496       8.971767 
1 1 1 -18 25  6  o 55.635  4.5344  385.350    60.679   405.958    85.290   364.229    86.347   56.449  6.3364  53.225  6.8446  3.224491       9.327303 
1 1 1 -18 25  7  o 81.750  4.1139  826.533    81.341   821.049    113.027  832.426    117.151  80.721  5.8096  81.186  5.9893  -0.4657364     8.344054 
1 1 1 -18 25  8  o 83.841  4.1434  868.102    84.291   804.227    116.145  939.181    122.520  79.704  6.0508  86.256  5.8892  -6.551811      8.443653 
1 1 1 -18 25  9  o 68.301  4.4003  580.129    72.536   534.604    99.883   630.928    105.510  64.654  6.4531  70.395  6.2419  -5.740364      8.978010 
1 1 1 -18 25  10 o 70.783  4.3272  622.922    73.963   640.468    102.336  603.734    107.019  71.000  5.9963  68.652  6.5021  2.348656       8.844926 
1 1 1 -18 25  11 o 56.827  6.3114  414.480    85.555   326.411    100.605  644.578    162.616  49.132  8.7603  68.410  10.100  -19.27861      13.37016 
1 1 1 -18 25  12 o 41.412  7.3939  227.370    71.570   273.248    82.789   91.677     142.379  45.277  7.8185  30.262  12.325  15.01507       14.59548 
1 1 1 -18 25  13 o 34.027  8.7366  159.669    72.504   150.043    80.719   199.867    164.955  32.802  9.5575  37.152  13.770  -4.350163      16.76164 
1 1 1 -18 25  14 o 51.183  7.0278  343.483    84.975   311.711    96.139   456.940    181.676  47.868  8.5931  53.972  13.815  -6.104176      16.26909 
1 1 1 -18 25  15 o 29.560  7.2271  117.693    51.403   163.162    69.301   62.083     76.641   34.437  8.3745  24.107  9.2836  10.32939       12.50270 
1 1 1 -18 25  16 o 23.703  8.1358  71.069     56.476   28.592     85.964   103.325    74.910   22.355  9.3824  27.807  9.3715  -5.451498      13.26098 
1 1 1 -18 25  17 o 20.219  7.7777  40.790     53.749   -22.8538   79.244   95.014     73.145   18.574  8.3625  26.886  9.2573  -8.311769      12.47512 
1 1 1 -18 25  18 o 17.536  7.4084  10.904     54.168   24.482     80.514   -0.3234    73.216   21.502  9.0551  19.118  8.3485  2.384699       12.31635 
1 1 1 -18 25  19 o 19.028  7.6361  28.978     53.764   11.695     75.838   46.439     76.230   20.139  8.6450  22.656  9.0925  -2.516895      12.54628 
1 1 1 -18 25  20 o 17.088  7.7223  -23.2981   68.320   19.256     153.646  -33.7855   76.276   26.741  11.868  17.555  8.0217  9.186209       14.32503 
1 1 1 -18 25  21 o 28.078  9.5208  108.608    77.321   155.003    157.173  93.794     88.811   33.220  13.146  27.085  10.091  6.135275       16.57248 
1 1 1 -18 25  22 o 30.524  9.5776  133.997    78.968   -66.8793   161.126  197.501    90.594   23.949  11.191  36.617  9.9410  -12.66793      14.96876 
1 1 1 -18 25  23 o 36.710  7.2970  184.331    62.708   129.939    85.245   248.478    92.573   29.945  9.9975  41.345  9.4360  -11.39993      13.74728 
1 1 1 -18 25  24 o 25.269  8.6075  87.327     63.202   135.489    92.155   44.557     86.843   30.268  10.393  22.896  9.5054  7.372072       14.08394 
1 1 1 -18 25  25 f 27.008  8.7642  104.103    65.679   124.754    94.188   84.558     91.634   29.143  10.465  25.870  10.098  3.273222       14.54303 
1 1 1 -18 25  26 o 21.592  8.5401  50.379     66.294   115.791    101.012  0.8854     87.865   28.308  10.716  20.121  8.9505  8.186525       13.96237 
1 1 1 -18 25  27 o 23.687  8.6660  75.036     64.990   58.538     103.388  85.814     83.563   24.347  10.258  25.314  9.7072  -0.9664421     14.12261 
1 1 1 -18 25  28 o 46.612  7.0496  300.740    77.240   385.374    113.369  227.420    105.520  50.371  9.6268  37.095  10.962  13.27610       14.58893 
1 1 1 -18 25  29 o 20.342  8.4488  36.790     68.648   22.890     95.004   51.977     99.306   21.477  9.4409  23.373  9.9589  -1.895866      13.72263 
1 1 1 -18 25  30 o 15.717  7.1564  -18.1632   60.029   18.348     85.300   -53.9874   84.494   20.383  8.9531  16.893  7.9598  3.489952       11.97980 
1 1 1 -18 25  31 o 43.261  7.0732  263.559    71.681   230.837    98.585   300.261    104.409  37.269  10.469  43.185  10.138  -5.916588      14.57339 
1 1 1 -18 25  32 o 35.535  10.713  214.354    100.037  142.648    111.235  517.656    228.771  29.188  11.198  45.069  16.294  -15.88042      19.77103 
1 1 1 -18 25  33 o 15.133  7.2113  -65.0192   73.197   -51.9290   78.421   -153.5757  203.971  16.257  7.6626  22.574  11.055  -6.316788      13.45121 
1 1 1 -18 25  34 o 42.069  7.6304  254.869    75.021   267.349    103.597  241.107    108.784  40.226  10.501  37.335  11.153  2.890583       15.31873 
1 1 1 -18 25  35 o 17.294  7.5662  7.1709     60.390   -54.6083   80.714   85.733     91.020   16.406  7.7453  24.924  9.9591  -8.518167      12.61643 
1 1 1 -18 25  36 o 15.213  7.3682  -97.3364   83.898   -145.7431  228.937  -89.8268   90.172   23.630  11.601  16.120  7.7653  7.510149       13.96004 
1 1 1 -18 25  37 f 19.261  8.8261  -10.9871   93.216   37.897     260.996  -18.1345   99.798   27.397  13.201  19.484  9.0019  7.912987       15.97812 
1 1 1 -18 25  38 o 22.614  9.8310  52.360     100.550  437.097    275.768  -6.6331    107.984  35.987  15.939  20.319  9.3791  15.66872       18.49420 
1 1 1 -18 26  1  o 91.260  4.1157  1026.68    91.136   1010.73    126.021  1044.16    131.955  89.669  5.8237  91.045  6.0069  -1.375786      8.366505 
1 1 1 -18 26  2  o 50.551  4.7708  319.504    57.826   317.054    79.047   322.324    84.813   49.645  6.7360  49.859  7.2208  -0.2137909     9.874922 
1 1 1 -18 26  3  o 54.797  4.7065  374.891    61.971   309.874    83.839   453.201    92.011   48.806  7.3041  59.582  6.4684  -10.77563      9.756527 
1 1 1 -18 26  4  o 20.267  7.0774  47.914     42.826   67.236     57.349   23.555     64.391   23.599  8.1929  20.074  8.2448  3.524935       11.62324 
1 1 1 -18 26  5  o 38.123  5.4413  185.134    48.906   174.936    66.923   196.822    71.643   36.196  7.8464  38.403  7.9503  -2.207867      11.17022 
1 1 1 -18 26  6  o 83.129  4.1312  854.075    83.327   861.255    116.280  846.496    119.471  82.539  5.8438  81.697  6.0702  0.8424225      8.426023 
1 1 1 -18 26  7  o 102.196 4.1843  1292.30    103.758  1189.82    145.443  1398.51    148.065  96.746  6.2289  105.214 5.8225  -8.468208      8.526430 
1 1 1 -18 26  8  o 80.742  4.1643  809.080    81.306   731.691    112.460  893.831    117.687  75.761  6.1714  84.003  5.8096  -8.242073      8.475696 
1 1 1 -18 26  9  o 43.840  7.3948  254.113    75.863   150.057    88.475   543.033    147.427  32.831  10.111  62.657  10.036  -29.82598      14.24623 
1 1 1 -18 26  10 o 46.527  7.1774  284.860    78.422   270.703    91.925   322.715    150.314  44.490  8.8270  46.013  12.928  -1.522743      15.65426 
1 1 1 -18 26  11 o 73.273  6.0960  687.028    107.396  708.819    127.508  633.831    199.227  73.676  7.2256  64.713  13.137  8.963585       14.99271 
1 1 1 -18 26  12 o 47.156  6.9669  292.308    77.315   259.842    89.625   386.748    152.860  43.455  8.8018  50.491  12.535  -7.036308      15.31669 
1 1 1 -18 26  13 o 107.942 4.3446  1450.76    113.790  1315.30    158.588  1594.50    163.364  101.013 6.5050  111.689 6.0507  -10.67558      8.884018 
1 1 1 -18 26  14 o 88.947  4.5886  991.084    98.694   1089.94    138.413  888.846    140.765  92.086  6.2313  82.431  7.1073  9.655533       9.452183 
1 1 1 -18 26  15 o 44.153  6.2193  253.827    64.783   260.679    93.395   247.473    89.938   43.136  9.2037  42.076  9.0762  1.060158       12.92615 
1 1 1 -18 26  16 o 38.111  7.2730  195.082    64.802   284.235    95.953   120.319    87.868   45.115  9.0797  29.589  10.149  15.52649       13.61747 
1 1 1 -18 26  17 o 16.953  7.2257  7.1903     52.305   -72.6057   77.233   74.797     71.090   15.971  7.5509  24.720  9.0606  -8.749020      11.79455 
1 1 1 -18 26  18 o 43.303  7.9891  256.238    80.849   438.272    164.783  198.523    92.785   52.602  12.988  36.881  10.080  15.72027       16.44106 
1 1 1 -18 26  19 o 39.293  9.1148  219.729    85.218   506.981    167.553  119.495    98.975   57.091  12.447  29.504  10.710  27.58707       16.41989 
1 1 1 -18 26  20 o 29.380  9.5549  122.643    78.049   10.831     157.722  158.903    89.817   26.351  11.837  32.852  10.199  -6.501293      15.62475 
1 1 1 -18 26  21 o 34.702  9.5362  176.525    82.774   169.878    165.916  178.728    95.509   33.648  13.446  34.441  10.487  -0.7932968     17.05181 
1 1 1 -18 26  22 o 50.637  6.0224  336.649    72.543   228.154    98.723   463.987    106.952  38.789  10.312  58.180  7.7704  -19.39142      12.91170 
1 1 1 -18 26  23 o 72.156  5.1275  668.932    89.188   785.252    120.160  526.224    133.093  76.944  6.4968  60.204  9.4197  16.73983       11.44289 
1 1 1 -18 26  24 o 22.992  8.3821  68.410     60.724   63.627     85.334   73.316     86.430   23.886  9.6080  24.664  9.7524  -0.7783794     13.69022 
1 1 1 -18 26  25 o 20.880  8.2863  46.176     62.607   79.246     90.080   15.276     87.076   25.106  9.9470  20.750  9.0816  4.356398       13.46918 
1 1 1 -18 26  26 o 33.773  8.7591  170.498    72.385   165.840    105.211  174.685    99.744   31.828  11.094  32.744  10.809  -0.9156036     15.48927 
1 1 1 -18 26  27 o 41.074  7.8489  242.523    75.372   279.500    113.176  213.051    101.039  40.916  11.112  35.873  10.756  5.042282       15.46529 
1 1 1 -18 26  28 o 26.483  8.8849  105.552    67.330   48.117     97.074   158.798    93.466   22.902  9.8044  31.043  10.468  -8.141447      14.34241 
1 1 1 -18 26  29 o 20.111  8.3426  37.717     66.818   107.178    96.346   -26.6478   92.745   26.607  10.363  18.748  8.6673  7.859539       13.51002 
1 1 1 -18 26  30 o 23.179  9.7538  59.585     93.300   33.099     104.710  161.638    205.536  22.327  9.8587  30.227  13.550  -7.900541      16.75676 
1 1 1 -18 26  31 o 46.610  9.5409  340.701    104.268  285.875    115.943  572.551    238.426  40.330  11.362  46.468  16.655  -6.138458      20.16136 
1 1 1 -18 26  32 o 28.182  10.084  128.422    87.369   104.509    96.586   236.079    204.936  26.282  10.336  32.847  14.157  -6.565218      17.52833 
1 1 1 -18 26  33 o 56.644  6.2412  437.572    84.355   389.482    117.333  489.023    121.362  49.248  10.156  56.616  9.1463  -7.367599      13.66768 
1 1 1 -18 26  34 o 15.942  7.1909  -10.5060   58.913   86.275     78.056   -138.6153  89.805   24.513  9.3862  14.694  7.2244  9.818973       11.84453 
1 1 1 -18 26  35 o 17.198  8.1454  -57.6901   90.626   278.210    251.747  -107.7002  97.138   33.233  14.939  16.229  7.8765  17.00421       16.88836 
1 1 1 -18 26  36 o 41.096  11.273  301.792    115.794  -78.5978   286.425  376.107    126.601  25.804  12.728  46.081  11.388  -20.27764      17.07894 
1 1 1 -18 26  37 o 32.315  11.648  204.239    116.782  156.971    284.716  213.799    128.049  28.820  13.862  32.393  12.107  -3.573387      18.40499 
1 1 1 -18 27  1  o 15.453  6.3987  10.342     39.206   4.8420     50.557   18.639     62.096   16.715  7.1135  19.376  8.0404  -2.660686      10.73544 
1 1 1 -18 27  2  o 64.907  4.3721  524.109    68.456   499.349    93.637   552.536    100.332  62.548  6.2536  65.763  6.3674  -3.215393      8.924788 
1 1 1 -18 27  3  o 106.171 4.1803  1394.65    107.691  1279.25    149.434  1519.34    155.333  100.382 6.1651  109.657 5.8592  -9.274719      8.505216 
1 1 1 -18 27  4  o 37.507  5.5517  180.147    48.999   121.151    66.577   249.865    72.374   29.896  8.6711  43.669  7.0723  -13.77251      11.18953 
1 1 1 -18 27  5  o 20.934  6.9967  54.176     41.751   -16.4977   57.912   130.665    60.247   16.222  7.2375  31.083  7.9550  -14.86167      10.75468 
1 1 1 -18 27  6  o 21.365  7.1486  56.719     43.585   36.728     59.172   80.431     64.443   20.493  8.0800  25.242  8.6892  -4.748983      11.86544 
1 1 1 -18 27  7  o 59.930  6.3356  462.238    90.732   386.293    105.541  677.343    177.621  53.606  8.3892  69.154  10.950  -15.54711      13.79452 
1 1 1 -18 27  8  o 93.175  6.0221  1107.31    135.419  1100.35    165.748  1121.28    234.853  91.651  7.5195  88.807  11.144  2.843910       13.44391 
1 1 1 -18 27  9  o 138.252 6.3994  2447.51    214.671  2364.90    271.439  2585.47    350.773  133.140 8.4461  135.514 10.756  -2.374252      13.67607 
1 1 1 -18 27  10 o 89.369  6.0218  1021.80    129.820  983.569    158.257  1100.45    226.990  86.346  7.6323  87.933  10.870  -1.587151      13.28208 
1 1 1 -18 27  11 o 19.059  7.6826  27.657     54.683   2.3488     60.900   132.964    124.226  17.796  7.6936  31.606  11.903  -13.80946      14.17284 
1 1 1 -18 27  12 o 60.529  4.6234  460.814    67.389   440.570    94.554   481.712    96.069   57.980  6.8537  60.800  6.6189  -2.820961      9.527995 
1 1 1 -18 27  13 o 60.924  5.1812  471.350    75.865   553.961    108.704  392.904    105.928  64.931  7.0109  53.697  8.4058  11.23423       10.94582 
1 1 1 -18 27  14 o 35.631  7.3350  171.573    61.302   185.225    89.105   159.305    84.470   35.813  9.9156  33.329  9.7960  2.484711       13.93846 
1 1 1 -18 27  15 o 54.046  5.5613  374.850    71.890   408.269    103.760  343.997    99.696   54.903  8.0258  50.002  8.5229  4.900890       11.70702 
1 1 1 -18 27  16 o 38.187  7.0512  195.778    62.927   229.123    91.470   165.816    86.706   39.927  9.5669  33.797  9.9224  6.130272       13.78327 
1 1 1 -18 27  17 o 22.020  8.7484  46.775     69.859   -159.6863  144.952  109.238    79.729   20.262  9.7814  28.154  9.6665  -7.891994      13.75200 
1 1 1 -18 27  18 o 22.408  8.8397  51.213     70.856   -162.4370  146.270  116.721    80.993   20.232  9.7813  28.802  9.7444  -8.570545      13.80679 
1 1 1 -18 27  19 o 25.042  9.2991  79.298     75.302   72.676     164.064  81.065     84.756   28.951  12.572  25.635  9.7892  3.316168       15.93349 
1 1 1 -18 27  20 o 51.486  6.2324  349.577    76.274   362.746    105.000  334.865    110.985  50.507  8.8927  47.635  9.9244  2.872005       13.32570 
1 1 1 -18 27  21 o 62.800  5.5728  512.242    84.035   565.913    115.652  452.211    122.314  64.337  7.5521  55.843  9.3581  8.494095       12.02528 
1 1 1 -18 27  22 o 66.003  5.3909  565.118    85.582   612.128    117.612  512.213    124.768  66.907  7.3667  59.703  8.8834  7.203663       11.54051 
1 1 1 -18 27  23 o 26.626  8.5034  102.349    62.015   111.310    87.887   93.463     87.518   27.626  10.082  26.139  9.9556  1.487368       14.16909 
1 1 1 -18 27  24 o 16.253  7.1398  -0.1703    54.257   5.9154     79.787   -5.4051    74.000   19.469  8.6009  18.248  8.1586  1.221018       11.85483 
1 1 1 -18 27  25 o 19.093  7.9280  29.180     60.428   -98.8734   95.738   113.979    77.908   16.628  8.0077  27.450  9.5480  -10.82281      12.46151 
1 1 1 -18 27  26 o 12.687  6.1251  -72.8348   56.866   15.638     87.185   -138.3412  75.020   20.418  9.0070  13.081  6.4638  7.336994       11.08630 
1 1 1 -18 27  27 o 14.976  6.9271  -29.2945   59.345   -104.2702  89.965   28.463     78.962   15.702  7.6112  20.403  8.7905  -4.701089      11.62774 
1 1 1 -18 27  28 o 23.823  9.0672  80.025     72.564   158.203    103.507  4.4676     101.758  30.305  10.959  20.738  9.3936  9.566954       14.43430 
1 1 1 -18 27  29 o ?       ?       -313.8144  91.579   -361.8875  96.810   95.322     282.424  ?       ?       29.034  13.924  0.000000       13.92403 
1 1 1 -18 27  30 o 17.134  8.0926  -53.2482   88.302   -44.8640   96.120   -98.5891   223.526  18.180  8.5423  24.042  11.731  -5.862183      14.51148 
1 1 1 -18 27  31 o 19.079  8.4941  7.9834     79.303   -2.0219    87.129   56.296     191.460  19.230  8.7030  26.467  12.311  -7.236740      15.07658 
1 1 1 -18 27  32 o 56.928  5.9684  439.177    81.216   299.343    113.207  587.472    116.581  41.688  11.023  63.839  7.6803  -22.15164      13.43504 
1 1 1 -18 27  33 o 22.024  8.3813  65.051     61.995   -5.2981    85.632   142.535    89.869   18.935  8.5929  29.222  10.250  -10.28637      13.37514 
1 1 1 -18 27  34 o 21.986  9.4039  47.676     89.163   274.413    261.286  17.792     94.857   32.568  14.868  20.699  9.2471  11.86887       17.50924 
1 1 1 -18 27  35 o 35.935  10.821  230.677    102.101  50.132     278.197  258.781    109.760  27.292  13.265  37.694  11.190  -10.40201      17.35443 
1 1 1 -18 27  36 o 20.544  9.1996  23.362     94.484   195.487    266.753  -1.3309    101.035  29.156  13.857  19.848  9.1293  9.308123       16.59427 
1 1 1 -18 28  1  o 72.980  4.2386  662.400    74.734   581.834    102.651  753.265    109.015  67.357  6.3559  76.993  5.8799  -9.635643      8.658573 
1 1 1 -18 28  2  o 73.662  4.2663  675.314    75.927   597.027    104.488  762.899    110.519  68.184  6.3902  77.425  5.9280  -9.240555      8.716412 
1 1 1 -18 28  3  o 45.042  5.1743  257.478    55.522   261.417    75.424   252.819    82.032   44.501  7.2336  43.323  8.1016  1.178173       10.86099 
1 1 1 -18 28  4  o 29.747  6.6082  117.421    46.457   31.510     61.399   232.472    71.053   20.215  8.1434  41.875  7.2560  -21.65976      10.90708 
1 1 1 -18 28  5  o 17.662  7.4302  11.741     54.118   13.639     60.901   4.6165     117.994  18.682  7.8718  23.925  10.519  -5.243782      13.13832 
1 1 1 -18 28  6  f 36.185  7.8848  177.891    67.272   133.610    76.822   323.517    139.315  30.984  9.3988  46.231  12.230  -15.24720      15.42465 
1 1 1 -18 28  7  o 13.939  6.3048  -20.1076   45.652   21.580     49.860   -236.3056  113.546  17.933  7.2973  15.764  7.8183  2.168799       10.69471 
1 1 1 -18 28  8  o 31.330  8.5775  136.241    67.114   134.633    76.807   141.435    138.018  31.000  9.3966  32.516  12.474  -1.515797      15.61716 
1 1 1 -18 28  9  o 36.793  8.0476  185.570    69.844   177.425    78.566   216.265    152.524  35.483  9.0860  37.470  13.332  -1.987053      16.13393 
1 1 1 -18 28  10 o 49.753  4.9543  314.154    59.013   280.227    83.025   348.797    83.896   45.541  7.7938  51.446  6.8943  -5.905174      10.40547 
1 1 1 -18 28  11 o 41.643  6.3839  227.680    62.449   205.044    92.171   246.889    84.907   37.640  9.9434  42.201  8.5842  -4.561050      13.13622 
1 1 1 -18 28  12 o 25.116  8.0638  84.441     55.713   29.382     83.671   128.294    74.673   22.030  9.2517  30.186  9.2878  -8.155703      13.10948 
1 1 1 -18 28  13 o 58.426  5.3678  436.417    75.246   474.259    109.912  403.037    103.230  59.310  7.8289  54.465  8.0542  4.845074       11.23217 
1 1 1 -18 28  14 o 33.906  7.7357  158.278    62.235   159.500    87.352   157.018    88.690   33.097  10.018  32.828  10.126  0.2691650      14.24414 
1 1 1 -18 28  15 o 55.598  7.3506  414.520    96.730   747.801    179.952  279.090    114.712  71.487  10.704  42.982  10.964  28.50506       15.32269 
1 1 1 -18 28  16 o 15.970  7.3286  -32.9026   64.592   25.949     148.616  -46.6086   71.720   26.342  11.683  16.250  7.5507  10.09137       13.91028 
1 1 1 -18 28  17 o 40.604  8.9113  235.735    85.386   375.144    166.685  186.138    99.421   46.749  13.767  34.980  10.709  11.76921       17.44166 
1 1 1 -18 28  18 o 44.588  8.6990  282.597    90.734   166.398    183.240  320.342    104.437  33.377  13.828  46.900  9.5028  -13.52320      16.77850 
1 1 1 -18 28  19 o 23.203  8.4709  68.690     62.049   65.130     87.100   72.358     88.415   24.268  9.7262  24.873  9.8547  -0.6057091     13.84607 
1 1 1 -18 28  20 o 28.333  8.2499  115.442    60.161   50.158     82.917   188.012    87.422   22.794  9.3582  35.114  9.8571  -12.31974      13.59179 
1 1 1 -18 28  21 o 18.149  7.4978  24.045     53.653   23.762     74.890   24.344     76.906   20.228  8.6344  20.447  8.7393  -0.2183418     12.28530 
1 1 1 -18 28  22 o 23.314  8.2857  73.907     58.893   124.862    81.253   17.508     85.484   28.668  9.7597  20.653  9.0197  8.015398       13.28934 
1 1 1 -18 28  23 o 27.568  8.2566  111.992    59.563   6.1004     82.616   226.607    85.952   19.643  8.7111  38.500  9.3043  -18.85710      12.74576 
1 1 1 -18 28  24 o 22.073  8.3073  63.440     60.491   45.271     83.011   84.012     88.331   21.920  9.2107  24.916  9.8568  -2.996023      13.49050 
1 1 1 -18 28  25 o 19.973  8.1609  39.865     62.684   -21.4330   94.105   88.756     84.044   19.095  8.7934  24.976  9.6926  -5.881018      13.08709 
1 1 1 -18 28  26 o 28.482  9.1189  127.653    71.284   96.250     98.905   161.598    102.831  25.699  10.342  30.562  10.939  -4.862919      15.05372 
1 1 1 -18 28  27 f 21.248  8.4897  54.489     66.138   120.691    103.055  8.1277     86.241   27.298  10.694  19.639  8.7920  7.659124       13.84441 
1 1 1 -18 28  28 o 12.933  6.5038  -228.2568  91.817   -216.9662  97.014   -325.2529  284.349  13.668  6.8477  22.981  11.543  -9.313679      13.42106 
1 1 1 -18 28  29 o 18.657  8.6678  -26.9633   94.449   -18.0439   100.537  -93.9959   275.614  19.515  9.0227  25.491  12.557  -5.976324      15.46213 
1 1 1 -18 28  30 o 28.071  8.9645  124.531    68.924   51.949     101.763  186.043    93.683   22.906  9.9238  32.868  10.447  -9.962540      14.40877 
1 1 1 -18 28  31 o 22.677  8.4537  72.150     62.352   16.174     91.647   120.387    85.078   20.434  9.1118  27.287  9.9256  -6.852911      13.47377 
1 1 1 -18 28  32 o 16.424  7.2792  1.1320     57.603   8.4507     81.155   -6.2986    81.773   19.175  8.5606  18.465  8.3863  0.7100143      11.98394 
1 1 1 -18 28  33 o 15.455  7.3201  -52.1754   73.195   -328.2515  246.736  -25.5354   76.645   21.369  10.735  16.981  7.8605  4.388033       13.30524 
1 1 1 -18 28  34 o 39.447  11.256  286.197    113.030  390.985    283.592  266.408    123.242  33.896  15.481  36.655  12.011  -2.759010      19.59351 
1 1 1 -18 28  35 o 24.468  10.038  93.824     95.301   -120.2735  270.077  124.273    101.853  23.786  11.840  26.539  10.557  -2.752512      15.86331 
1 1 1 -18 29  1  o 38.934  5.6073  195.143    51.444   165.045    69.278   232.141    76.808   34.651  8.3404  41.458  7.9243  -6.807587      11.50464 
1 1 1 -18 29  2  o 42.049  5.7372  227.811    57.008   210.063    82.233   244.233    79.101   38.870  8.9095  42.499  7.9634  -3.628544      11.94965 
1 1 1 -18 29  3  o 53.822  6.6705  378.081    85.247   365.994    100.488  409.108    161.005  52.027  8.2344  51.420  12.920  0.6068573      15.32129 
1 1 1 -18 29  4  f 28.009  8.5405  107.279    63.312   77.105     72.227   207.376    131.551  25.091  9.1424  37.054  12.419  -11.96374      15.42150 
1 1 1 -18 29  5  o 30.163  8.1863  125.481    61.446   176.420    69.221   -63.8253   133.443  35.810  8.1498  22.291  10.338  13.51817       13.16386 
1 1 1 -18 29  6  o 20.138  7.9523  36.742     57.397   61.157     64.692   -53.5733   124.423  23.061  8.6081  21.829  10.073  1.232458       13.25028 
1 1 1 -18 29  7  o 66.315  6.2254  569.347    98.999   591.999    116.867  511.789    186.291  66.848  7.3250  56.416  13.737  10.43213       15.56808 
1 1 1 -18 29  8  o 41.271  5.4902  219.584    53.614   271.343    75.273   166.290    76.382   45.120  7.1109  34.254  9.0532  10.86644       11.51198 
1 1 1 -18 29  9  o 67.542  4.8284  576.607    78.608   606.042    111.829  547.857    110.519  67.889  6.8840  64.286  7.2095  3.602783       9.968292 
1 1 1 -18 29  10 o 38.692  6.7840  199.581    61.368   151.122    94.783   234.557    80.524   32.255  10.531  41.144  8.3513  -8.888798      13.44084 
1 1 1 -18 29  11 f 26.197  7.8843  93.872     54.215   86.896     84.538   98.745     70.659   26.326  9.8376  26.953  9.1016  -0.6276779     13.40214 
1 1 1 -18 29  12 o 25.477  7.9050  88.396     53.965   22.495     82.464   137.757    71.368   21.351  9.0857  31.113  8.9644  -9.761919      12.76365 
1 1 1 -18 29  13 o 49.023  6.0650  314.012    70.604   494.687    105.474  167.323    95.037   60.772  7.2988  33.530  10.505  27.24201       12.79148 
1 1 1 -18 29  14 o 40.891  8.8579  237.970    85.345   274.346    170.959  225.895    98.497   39.817  14.121  38.853  10.286  0.9640656      17.46989 
1 1 1 -18 29  15 o 29.506  9.6765  125.767    79.986   210.391    152.658  93.744     93.909   35.819  13.252  26.967  10.303  8.851788       16.78597 
1 1 1 -18 29  16 o 51.672  7.9690  369.527    96.700   330.482    188.198  383.533    112.717  42.062  14.826  51.506  9.3642  -9.443336      17.53587 
1 1 1 -18 29  17 o 29.260  8.3581  122.866    62.292   60.757     94.612   170.388    82.760   24.387  10.002  33.717  9.6349  -9.330894      13.88804 
1 1 1 -18 29  18 o 22.193  8.2878  60.777     59.980   -5.6864    92.329   109.304    78.894   20.245  9.0779  27.514  9.6061  -7.268396      13.21684 
1 1 1 -18 29  19 o 16.651  7.2391  3.9832     54.529   78.652     81.659   -56.1060   73.254   24.740  9.5671  15.764  7.4228  8.975965       12.10897 
1 1 1 -18 29  20 o 56.512  5.9845  424.838    80.811   350.443    108.215  518.629    121.506  48.141  9.6009  59.878  8.6107  -11.73692      12.89655 
1 1 1 -18 29  21 o 35.643  8.0466  184.982    67.942   170.199    91.179   203.439    101.877  32.508  10.303  35.035  10.860  -2.526924      14.96977 
1 1 1 -18 29  22 o 9.2617  4.6424  -118.5824  44.832   -226.3123  66.161   -27.1157   60.963   10.108  5.1302  15.371  7.0781  -5.263309      8.741753 
1 1 1 -18 29  23 o 22.615  8.4563  69.258     62.483   105.211    85.993   29.049     90.941   26.350  9.9072  21.326  9.3089  5.023794       13.59443 
1 1 1 -18 29  24 o 41.703  7.2294  248.283    70.502   235.560    96.861   262.619    102.817  37.585  10.311  39.540  10.529  -1.954578      14.73673 
1 1 1 -18 29  25 o 15.017  6.9079  -23.0282   57.865   -24.8287   85.144   -21.4827   78.882   17.942  8.2984  17.489  8.0525  0.4538536      11.56319 
1 1 1 -18 29  26 o 21.758  8.7294  59.314     70.239   186.201    105.815  -40.6304   93.912   32.033  11.128  18.034  8.4642  13.99877       13.98149 
1 1 1 -18 29  27 o 17.428  8.3377  -72.3755   99.903   -59.8026   106.202  -169.0312  294.462  18.369  8.7344  24.782  12.340  -6.412476      15.11836 
1 1 1 -18 29  28 o 22.778  10.003  47.965     106.435  74.619     113.671  -141.6204  303.163  24.437  10.538  25.294  12.583  -0.8573303     16.41286 
1 1 1 -18 29  29 o 31.396  8.8675  156.421    70.525   207.277    104.144  113.345    95.847   33.864  11.038  26.513  10.334  7.350624       15.12057 
1 1 1 -18 29  30 f 10.291  5.1474  -130.3467  53.760   -132.9808  86.362   -128.6802  68.692   14.355  7.0628  12.394  6.1353  1.960305       9.355508 
1 1 1 -18 29  31 o 19.748  8.1744  39.615     63.955   37.590     90.576   41.628     90.318   21.350  9.3055  21.567  9.3464  -0.2165985     13.18887 
1 1 1 -18 29  32 o 36.028  10.837  233.745    102.447  246.986    274.026  231.594    110.457  30.824  14.464  35.084  11.364  -4.260572      18.39428 
1 1 1 -18 29  33 o 17.265  8.0102  -22.5842   80.249   9.3810     252.821  -26.1656   84.625   25.523  12.458  17.510  8.1581  8.012680       14.89187 
1 1 1 -18 29  34 o 12.605  6.2340  -121.5528  70.348   -113.6768  252.724  -122.2144  73.243   23.153  11.513  12.931  6.3889  10.22193       13.16698 
1 1 1 -18 30  1  o 65.382  6.2800  553.538    98.403   435.108    115.969  858.071    185.965  56.264  8.7815  78.006  10.060  -21.74117      13.35327 
1 1 1 -18 30  2  o 32.153  8.4495  144.061    66.783   138.217    76.820   162.146    135.131  31.268  9.3794  33.591  12.460  -2.323235      15.59598 
1 1 1 -18 30  3  o 42.237  7.6008  241.161    75.031   198.734    87.081   363.436    147.832  37.215  9.5852  48.273  12.517  -11.05742      15.76512 
1 1 1 -18 30  4  o 66.914  6.1321  579.417    98.454   466.642    116.340  863.974    184.801  58.405  8.4554  78.123  9.9768  -19.71810      13.07787 
1 1 1 -18 30  5  o 77.149  6.1282  769.565    113.771  704.644    136.519  917.153    205.837  72.362  7.9039  79.254  11.000  -6.892006      13.54551 
1 1 1 -18 30  6  o 56.165  4.7110  399.020    63.607   330.423    85.663   483.320    94.963   49.665  7.3287  60.751  6.5456  -11.08598      9.826227 
1 1 1 -18 30  7  o 66.407  5.0463  560.351    80.703   501.155    112.505  623.096    115.828  60.940  7.7866  68.617  7.0576  -7.676262      10.50909 
1 1 1 -18 30  8  o 39.266  6.2381  203.147    57.445   186.307    82.744   218.815    79.815   35.947  9.3854  39.503  8.5732  -3.555698      12.71161 
1 1 1 -18 30  9  o 37.100  7.0507  185.805    61.149   127.081    93.874   229.089    80.593   29.951  10.477  40.458  8.4810  -10.50683      13.47959 
1 1 1 -18 30  10 o 21.264  7.8589  52.824     53.658   94.007     87.450   27.957     67.954   26.913  10.016  20.286  8.4140  6.627386       13.08098 
1 1 1 -18 30  11 o 45.980  5.9744  276.583    65.079   163.716    96.903   369.314    87.835   33.066  10.637  52.511  7.0737  -19.44482      12.77417 
1 1 1 -18 30  12 o 10.153  5.0455  -111.0944  48.193   -163.3885  121.898  -101.4064  52.467   17.940  8.7334  11.170  5.4978  6.769170       10.31984 
1 1 1 -18 30  13 o 22.309  8.7103  54.173     68.187   49.580     142.736  55.531     77.617   26.726  11.664  23.077  9.2047  3.649282       14.85869 
1 1 1 -18 30  14 o 33.749  9.3499  168.278    79.202   168.389    156.180  168.239    91.895   32.944  13.083  33.252  10.315  -0.3077812     16.66060 
1 1 1 -18 30  15 o 30.693  8.2544  135.302    62.810   141.920    88.948   128.719    88.707   30.676  10.211  29.468  10.192  1.208111       14.42707 
1 1 1 -18 30  16 o 16.985  7.3344  6.6968     55.216   21.236     85.548   -3.6847    72.289   21.082  9.1162  18.316  8.1343  2.765896       12.21773 
1 1 1 -18 30  17 o 34.708  7.8238  171.975    64.313   191.138    95.844   156.280    86.741   34.696  10.492  31.738  10.048  2.958132       14.52779 
1 1 1 -18 30  18 o 18.166  7.5984  22.131     56.086   113.521    84.603   -49.5216   74.913   27.588  9.9174  16.175  7.5813  11.41346       12.48325 
1 1 1 -18 30  19 o 20.157  7.9497  44.509     57.292   103.051    85.654   -2.8887    77.071   26.522  9.9041  18.611  8.3230  7.911779       12.93690 
1 1 1 -18 30  20 o 43.367  6.7381  260.287    68.600   288.118    94.742   229.614    99.461   43.390  9.2798  37.333  10.526  6.056999       14.03240 
1 1 1 -18 30  21 o 35.642  7.7780  185.708    65.376   190.747    90.506   180.210    94.536   34.027  10.175  32.769  10.502  1.258171       14.62279 
1 1 1 -18 30  22 o 26.376  8.1277  104.664    57.160   53.633     84.411   147.881    77.680   22.260  9.3171  30.292  9.4983  -8.031816      13.30512 
1 1 1 -18 30  23 o 13.573  6.2900  -27.1149   49.277   11.922     76.572   -54.7098   64.380   18.993  8.4064  14.335  6.8116  4.657912       10.81964 
1 1 1 -18 30  24 o 23.587  8.3625  82.562     59.957   97.899     85.400   67.654     84.195   25.233  9.7766  22.946  9.4265  2.286280       13.58083 
1 1 1 -18 30  25 o 15.155  7.3248  -86.7133   81.894   -86.7133   81.894   0.0000     0.0000   15.155  7.3248  ?       ?       0.000000       7.324830 
1 1 1 -18 30  26 o 31.367  11.309  184.585    110.088  165.257    117.522  323.023    314.525  29.702  11.480  32.160  15.215  -2.457891      19.05989 
1 1 1 -18 30  27 o 36.028  11.993  254.697    122.694  176.472    132.534  723.565    324.475  30.067  12.016  41.875  17.926  -11.80767      21.58072 
1 1 1 -18 30  28 o 18.922  8.0057  29.834     63.405   23.390     101.164  34.003     81.371   21.200  9.5045  20.518  8.8816  0.6822929      13.00837 
1 1 1 -18 30  29 o 20.083  8.1884  45.117     62.937   -4.3714    94.100   85.175     84.660   19.435  8.8918  24.138  9.6179  -4.703024      13.09844 
1 1 1 -18 30  30 o 13.617  6.6786  -111.6100  75.289   266.650    221.447  -161.0487  80.059   32.031  14.231  12.911  6.4298  19.12033       15.61580 
1 1 1 -18 30  31 o 35.795  11.205  241.124    108.148  156.304    271.068  257.181    117.941  28.468  13.650  36.180  11.745  -7.712654      18.00685 
1 1 1 -18 30  32 o 22.391  9.4442  65.536     87.806   202.725    241.812  44.699     94.239   28.826  13.546  21.442  9.4147  7.383423       16.49648 
1 1 1 -18 31  1  o 38.070  8.1402  200.645    72.916   196.752    83.087   213.689    152.095  37.073  9.2630  36.772  13.287  0.3004570      16.19719 
1 1 1 -18 31  2  o 45.680  7.1134  279.192    76.278   247.542    87.833   376.307    153.854  41.889  8.9154  48.463  12.868  -6.574036      15.65474 
1 1 1 -18 31  3  o 59.873  4.6408  453.089    66.893   407.562    92.079   503.969    97.343   55.383  7.0089  61.961  6.5752  -6.577347      9.610313 
1 1 1 -18 31  4  o 23.228  7.1832  72.108     44.602   123.272    58.598   1.6448     68.768   29.764  7.9595  18.564  8.0991  11.20027       11.35560 
1 1 1 -18 31  5  o 68.929  4.9221  603.202    81.781   649.183    112.367  551.413    119.252  70.252  6.6721  63.759  7.8757  6.492828       10.32199 
1 1 1 -18 31  6  o 18.780  7.5756  28.345     53.214   25.414     78.790   30.802     72.159   21.150  8.9349  20.906  8.6708  0.2435665      12.45053 
1 1 1 -18 31  7  o 32.365  7.4035  144.128    56.879   66.637     80.019   223.264    80.864   24.263  9.4460  39.746  8.6320  -15.48381      12.79607 
1 1 1 -18 31  8  o 44.944  6.2014  266.047    65.827   380.012    96.078   165.220    90.371   52.784  7.7308  33.307  10.212  19.47757       12.80853 
1 1 1 -18 31  9  o 44.768  6.2555  264.768    66.094   302.134    92.353   225.535    94.632   46.371  8.5221  38.933  9.9731  7.438381       13.11823 
1 1 1 -18 31  10 f 63.778  6.7192  540.719    102.416  605.660    187.711  513.193    122.210  60.771  13.115  60.558  8.5552  0.2127609      15.65846 
1 1 1 -18 31  11 o 56.642  7.1656  433.578    96.278   259.744    188.183  495.213    112.054  37.895  14.559  59.949  7.8955  -22.05373      16.56202 
1 1 1 -18 31  12 o 38.891  8.6613  217.858    79.635   338.640    160.685  178.533    91.687   43.643  13.657  34.152  10.247  9.490868       17.07405 
1 1 1 -18 31  13 o 23.190  8.7703  66.555     67.617   240.908    146.785  19.591     76.181   37.106  13.092  20.191  8.6657  16.91529       15.70037 
1 1 1 -18 31  14 o 48.167  6.2050  309.588    70.833   409.753    107.931  233.810    93.878   53.442  8.6164  39.094  9.8895  14.34861       13.11656 
1 1 1 -18 31  15 o 64.832  5.1897  545.435    80.955   566.831    115.287  524.623    113.704  63.841  7.5912  61.144  7.8449  2.696838       10.91650 
1 1 1 -18 31  16 f 29.042  8.3101  124.255    61.524   212.283    90.426   48.383     83.950   36.812  9.9059  22.414  9.3289  14.39824       13.60714 
1 1 1 -18 31  17 o 25.648  8.3955  96.144     60.221   147.613    88.105   51.014     82.501   30.417  10.164  22.372  9.2745  8.044163       13.75932 
1 1 1 -18 31  18 o 19.027  7.7349  34.417     55.949   70.509     83.565   5.0941     75.323   23.685  9.5147  18.772  8.3218  4.912613       12.64047 
1 1 1 -18 31  19 o 36.035  7.8960  190.925    67.131   276.329    97.249   113.182    92.784   41.677  9.7842  26.997  10.258  14.67951       14.17616 
1 1 1 -18 31  20 o 13.987  6.4834  -28.6341   52.404   -1.8476    85.103   -44.9936   66.508   19.081  8.6213  15.072  7.0898  4.008241       11.16210 
1 1 1 -18 31  21 o 12.827  5.9610  -27.5606   44.724   -132.3122  78.426   22.924     54.445   13.500  6.6592  17.675  7.4449  -4.174626      9.988546 
1 1 1 -18 31  22 o 14.442  6.6683  -24.3474   54.638   52.270     86.481   -75.2483   70.488   21.971  9.3256  14.245  6.8628  7.726028       11.57864 
1 1 1 -18 31  23 o 25.194  8.5888  98.858     62.927   170.414    95.513   43.978     83.646   30.870  10.581  21.208  9.0907  9.662498       13.94996 
1 1 1 -18 31  24 o 13.540  6.7023  -142.6109  81.952   -142.6109  81.952   0.0000     0.0000   13.540  6.7023  ?       ?       0.000000       6.702283 
1 1 1 -18 31  25 o 16.502  7.8502  -57.1477   85.980   -54.1050   88.853   -101.9206  340.840  16.887  8.0178  25.880  12.947  -8.993366      15.22847 
1 1 1 -18 31  26 o 25.266  8.5827  100.125    62.836   144.399    98.869   70.124     81.388   28.459  10.638  22.786  9.3035  5.672358       14.13235 
1 1 1 -18 31  27 o 16.399  7.3437  -1.7769    60.210   140.497    97.742   -88.7800   76.434   28.235  10.573  14.432  7.0004  13.80307       12.68030 
1 1 1 -18 31  28 o 18.053  7.3902  32.251     51.524   -99.0898   89.275   97.849     63.092   15.476  7.5202  25.019  8.5985  -9.543454      11.42315 
1 1 1 -18 31  29 o 17.113  7.8052  -9.4477    71.794   119.098    225.307  -23.9751   75.743   27.409  12.940  16.795  7.7887  10.61334       15.10316 
1 1 1 -18 31  30 o 22.332  9.3370  65.604     84.637   225.835    238.694  42.561     90.519   29.566  13.750  21.191  9.2675  8.374863       16.58171 
1 1 1 -18 31  31 f 16.014  7.5137  -32.6946   73.909   -309.1968  246.063  -5.2747    77.487   20.604  10.397  17.606  8.0599  2.998249       13.15514 
1 1 1 -18 32  1  o 109.527 4.3455  1504.17    115.486  1388.09    159.622  1631.66    167.292  103.112 6.4117  112.103 6.1741  -8.990677      8.901066 
1 1 1 -18 32  2  o 23.205  8.2397  68.479     58.230   123.282    92.041   31.907     75.190   29.478  10.371  21.238  8.8332  8.240086       13.62278 
1 1 1 -18 32  3  o 41.790  6.9243  234.722    67.754   124.332    101.942  322.069    90.681   29.695  10.855  48.358  8.0085  -18.66302      13.48970 
1 1 1 -18 32  4  o 51.239  6.1155  344.166    74.530   297.049    113.904  379.441    98.556   44.307  10.713  52.540  7.9821  -8.232773      13.35969 
1 1 1 -18 32  5  o 15.848  6.9789  -5.1670    52.122   86.724     77.738   -80.2128   70.252   25.769  9.4703  14.593  6.9841  11.17608       11.76706 
1 1 1 -18 32  6  o 47.241  6.1585  294.082    68.914   319.187    95.054   266.266    100.056  47.622  8.5400  42.385  9.9067  5.236130       13.07957 
1 1 1 -18 32  7  o 50.315  7.7780  348.491    91.895   435.355    173.044  314.373    108.452  50.144  13.792  46.010  10.0000 4.133953       17.03549 
1 1 1 -18 32  8  o 23.056  8.8773  62.091     70.071   108.784    145.853  48.080     79.896   29.536  12.295  22.598  9.2213  6.937851       15.36884 
1 1 1 -18 32  9  o 47.710  7.7898  315.779    87.065   266.097    173.494  332.502    100.657  38.252  14.133  48.045  8.9640  -9.793247      16.73583 
1 1 1 -18 32  10 o 75.058  6.5413  750.294    117.941  709.544    210.418  768.961    142.415  63.815  13.976  74.388  8.0169  -10.57303      16.11236 
1 1 1 -18 32  11 o 35.180  9.0849  183.887    78.089   212.519    166.600  175.824    88.402   34.735  13.600  33.762  10.047  0.9725723      16.90870 
1 1 1 -18 32  12 o 48.137  5.9360  307.558    67.865   352.461    99.928   269.119    92.457   49.368  8.6578  42.528  9.2252  6.839977       12.65152 
1 1 1 -18 32  13 o 40.219  6.9542  223.489    65.409   262.103    98.903   193.471    87.201   41.058  10.017  35.257  9.8260  5.800407       14.03162 
1 1 1 -18 32  14 o 26.415  8.3517  102.182    59.938   127.766    90.908   82.508     79.719   28.703  10.284  24.707  9.4797  3.996069       13.98688 
1 1 1 -18 32  15 o 43.777  6.7138  264.424    69.039   274.836    104.227  256.284    92.155   41.243  10.413  40.695  9.5048  0.5477829      14.09892 
1 1 1 -18 32  16 o 34.034  7.5778  167.814    60.970   30.170     96.065   260.652    78.896   21.792  9.5383  42.304  7.9788  -20.51157      12.43548 
1 1 1 -18 32  17 o 17.175  7.4301  11.490     56.876   -57.1498   83.988   69.630     77.297   16.621  7.8633  23.156  9.2016  -6.534626      12.10371 
1 1 1 -18 32  18 o 17.542  7.4949  17.884     56.522   60.407     85.070   -15.7260   75.630   22.683  9.4118  17.469  7.9845  5.214174       12.34235 
1 1 1 -18 32  19 o 25.377  8.4924  98.724     61.512   175.908    96.429   45.769     79.873   31.634  10.633  21.277  8.9927  10.35686       13.92569 
1 1 1 -18 32  20 o 20.739  8.0479  55.821     57.940   88.654     89.163   31.823     76.228   24.468  9.8286  20.009  8.6289  4.459045       13.07893 
1 1 1 -18 32  21 o 25.676  8.2110  102.391    57.809   148.868    86.011   64.098     78.072   29.303  10.041  22.224  9.0974  7.079012       13.54933 
1 1 1 -18 32  22 o 19.954  8.8241  24.386     84.189   30.592     86.547   -84.8745   363.139  20.449  8.9994  26.169  13.130  -5.719202      15.91817 
1 1 1 -18 32  23 o 22.517  9.6060  61.669     92.601   61.669     92.601   0.0000     0.0000   22.517  9.6060  ?       ?       0.000000       9.605965 
1 1 1 -18 32  24 f 29.987  10.879  168.197    102.111  138.866    106.072  539.071    377.185  27.675  10.848  33.665  16.131  -5.989477      19.43894 
1 1 1 -18 32  25 o 19.051  7.8011  39.197     57.434   -37.9646   82.272   112.548    80.214   16.813  7.9012  26.043  9.6121  -9.229527      12.44274 
1 1 1 -18 32  26 o 17.542  7.6451  15.326     61.126   34.249     98.055   3.2978     78.175   21.305  9.4671  18.355  8.2810  2.949547       12.57782 
1 1 1 -18 32  27 o 19.719  8.1482  42.672     63.387   97.574     102.019  8.1502     80.897   24.948  10.325  18.796  8.4571  6.151705       13.34672 
1 1 1 -18 32  28 o 9.1674  4.5908  -108.8563  43.372   -565.0703  230.874  -92.1671   44.158   ?       ?       9.7984  4.8623  0.000000       4.862314 
1 1 1 -18 32  29 o 23.956  9.3910  92.073     79.505   72.435     253.576  94.214     83.727   25.888  12.601  24.150  9.5830  1.737389       15.83112 
1 1 1 -18 32  30 o 27.088  10.284  138.370    93.205   497.534    266.724  88.412     99.476   34.378  15.421  23.620  10.012  10.75807       18.38643 
1 1 1 -18 33  1  o 38.839  7.2809  206.283    66.093   319.418    99.633   117.372    88.325   47.267  9.0162  28.724  10.154  18.54334       13.57888 
1 1 1 -18 33  2  o 63.605  5.3603  521.252    81.955   496.847    119.429  542.972    112.670  59.597  8.4997  63.242  7.4877  -3.645672      11.32747 
1 1 1 -18 33  3  o 17.458  7.4539  10.349     55.842   46.951     89.518   -12.9672   71.448   23.250  9.6514  17.834  7.9920  5.415657       12.53084 
1 1 1 -18 33  4  o 94.356  4.7153  1128.57    107.956  1118.62    148.200  1139.82    157.576  91.776  6.7014  92.162  7.1012  -0.3861542     9.763996 
1 1 1 -18 33  5  f 93.433  4.7189  1110.13    106.636  1003.83    145.264  1234.35    157.034  86.524  6.9786  96.254  6.7667  -9.730469      9.720560 
1 1 1 -18 33  6  o 56.347  7.3741  433.958    98.400   291.789    180.776  493.816    117.299  39.420  14.449  59.213  8.3998  -19.79219      16.71280 
1 1 1 -18 33  7  o 32.127  9.3599  154.329    77.419   347.367    148.322  82.043     90.764   44.820  12.926  25.561  10.030  19.25900       16.36086 
1 1 1 -18 33  8  o 49.210  7.9197  339.874    91.356   339.892    168.624  339.866    108.689  42.538  14.055  47.616  9.7358  -5.078362      17.09735 
1 1 1 -18 33  9  o 63.384  7.2140  550.727    108.971  517.996    191.782  566.333    132.426  52.313  14.569  62.398  9.0073  -10.08569      17.12898 
1 1 1 -18 33  10 o 13.066  6.1132  -37.3746   48.339   -29.0161   80.204   -42.1429   60.577   17.731  8.1476  14.674  6.8586  3.056963       10.65007 
1 1 1 -18 33  11 o 61.563  5.4094  496.784    79.984   580.665    116.597  422.225    109.927  64.364  7.6134  53.714  8.7345  10.65016       11.58685 
1 1 1 -18 33  12 o 34.210  7.6546  168.617    61.951   179.014    93.268   160.408    82.874   33.146  10.410  31.854  9.7818  1.292360       14.28476 
1 1 1 -18 33  13 o 26.774  8.1794  106.289    58.031   179.820    91.035   55.955     75.318   33.139  10.265  22.179  8.9896  10.96024       13.64463 
1 1 1 -18 33  14 o 20.871  7.9263  55.054     55.375   93.936     87.258   28.835     71.653   25.446  9.8759  19.851  8.4588  5.595612       13.00326 
1 1 1 -18 33  15 o 22.484  8.0119  71.192     55.100   88.531     85.875   59.058     71.838   24.831  9.7519  22.000  8.8275  2.830702       13.15388 
1 1 1 -18 33  16 o 28.223  7.9126  120.141    56.370   58.580     90.141   159.676    72.238   22.738  9.5787  31.748  8.9772  -9.009293      13.12789 
1 1 1 -18 33  17 o 39.286  8.4130  236.065    77.777   186.741    155.609  252.490    89.798   30.423  12.685  39.509  9.4868  -9.086443      15.83998 
1 1 1 -18 33  18 o 15.799  7.1755  -11.2998   59.866   10.872     84.464   -33.6827   84.865   19.363  8.6825  17.337  8.1079  2.026295       11.87958 
1 1 1 -18 33  19 o 20.305  8.1130  51.246     60.399   71.057     91.951   36.210     80.104   23.122  9.7039  20.381  8.8173  2.741066       13.11149 
1 1 1 -18 33  20 o 10.655  5.2138  -72.3700   45.071   -51.5314   78.680   -82.5479   54.987   15.892  7.5451  11.823  5.7795  4.068720       9.504264 
1 1 1 -18 33  21 o 24.503  9.5930  95.953     82.880   132.510    85.085   -582.0331  366.417  27.523  9.9390  ?       ?       0.000000       9.939047 
1 1 1 -18 33  22 o 34.701  11.382  236.185    110.661  183.917    115.483  823.211    387.015  30.292  11.460  37.636  17.505  -7.344357      20.92293 
1 1 1 -18 33  23 o 26.955  10.189  128.144    91.226   145.355    93.983   -152.3042  379.377  28.263  10.409  25.339  12.801  2.923632       16.49898 
1 1 1 -18 33  24 o 40.832  7.2719  246.048    69.405   207.817    97.702   284.994    98.612   33.509  10.670  40.698  10.047  -7.189194      14.65565 
1 1 1 -18 33  25 o 16.591  7.2188  12.537     54.309   94.176     85.942   -41.7371   70.073   24.392  9.6994  15.335  7.2326  9.057213       12.09918 
1 1 1 -18 33  26 o 18.470  8.2136  14.434     73.945   67.773     245.591  9.1161     77.543   26.014  12.601  18.461  8.2955  7.553751       15.08685 
1 1 1 -18 33  27 o 20.492  8.5809  49.646     71.643   -81.8311   246.424  61.785     74.877   23.372  11.578  21.520  8.8706  1.852428       14.58591 
1 1 1 -18 33  28 o 20.664  8.5445  55.368     69.770   -214.9510  231.048  82.491     73.186   20.906  10.487  22.909  9.0009  -2.002930      13.82024 
1 1 1 -18 33  29 o 22.093  8.9119  75.604     73.641   -150.5935  235.320  100.160    77.535   21.401  10.714  24.084  9.3199  -2.682522      14.20020 
1 1 1 -18 34  1  o 54.441  5.7083  387.451    74.283   293.305    108.532  470.419    101.886  43.807  10.371  58.764  7.3031  -14.95726      12.68455 
1 1 1 -18 34  2  o 49.693  6.3790  329.441    75.140   376.881    111.593  290.092    101.632  50.700  9.4179  44.030  9.7684  6.669968       13.56899 
1 1 1 -18 34  3  o 67.705  6.9664  619.322    112.811  618.634    194.338  619.672    138.542  59.617  13.719  65.695  8.9221  -6.077938      16.36538 
1 1 1 -18 34  4  o 46.731  8.1173  308.889    88.701   137.346    165.909  377.547    104.961  30.891  13.003  51.179  8.7678  -20.28736      15.68304 
1 1 1 -18 34  5  o 19.328  8.2008  21.544     66.840   -27.7036   139.997  36.084     76.070   22.949  10.624  21.187  8.8545  1.761896       13.82975 
1 1 1 -18 34  6  o 18.934  8.0880  18.084     65.802   -14.9758   131.921  29.033     75.920   22.769  10.458  20.631  8.7462  2.137497       13.63302 
1 1 1 -18 34  7  o 30.166  9.4435  138.855    76.821   244.030    148.168  100.189    89.839   36.402  13.120  26.581  10.096  9.821156       16.55492 
1 1 1 -18 34  8  o 59.237  5.3599  459.627    76.205   444.984    104.315  476.385    111.594  56.000  7.8962  57.637  8.2117  -1.636639      11.39219 
1 1 1 -18 34  9  o 36.486  7.7145  191.540    66.161   228.012    95.829   158.319    91.457   37.685  10.221  31.303  10.351  6.382597       14.54719 
1 1 1 -18 34  10 o 19.603  7.8757  39.467     57.262   4.9710     87.559   65.247     75.692   19.887  8.8842  22.944  9.1093  -3.057005      12.72428 
1 1 1 -18 34  11 o 46.940  6.1089  299.203    67.929   305.049    100.080  294.208    92.500   44.142  9.6161  43.998  8.9688  0.1442337      13.14947 
1 1 1 -18 34  12 o 29.986  7.9692  134.456    58.974   187.449    89.699   94.109     78.268   33.593  10.148  25.185  9.4551  8.408083       13.87045 
1 1 1 -18 34  13 o 16.090  6.9158  10.764     48.646   -78.5332   81.431   60.314     60.659   15.491  7.4419  21.490  8.2635  -5.998525      11.12063 
1 1 1 -18 34  14 o 12.579  5.9398  -40.0677   47.519   -37.1035   84.143   -41.4558   57.580   17.257  8.0715  13.996  6.5875  3.261151       10.41844 
1 1 1 -18 34  15 o 24.825  8.2546  94.343     58.132   92.679     91.943   95.451     75.033   24.811  9.9757  24.827  9.2700  -0.1553154E-01 13.61786 
1 1 1 -18 34  16 f 20.069  8.1259  47.399     61.472   -7.5614    88.076   99.602     85.837   18.691  8.5702  25.064  9.7764  -6.372656      13.00096 
1 1 1 -18 34  17 o 17.198  7.5378  12.171     60.176   45.898     84.096   -23.2195   86.145   21.125  9.0869  17.745  8.2552  3.380499       12.27679 
1 1 1 -18 34  18 o 26.390  8.9197  114.640    67.864   46.600     91.265   198.795    101.499  21.421  9.3386  32.304  10.908  -10.88237      14.35977 
1 1 1 -18 34  19 o 19.852  8.9754  16.533     92.404   -8.2920    100.546  151.466    234.410  19.305  8.9601  27.483  13.041  -8.177959      15.82270 
1 1 1 -18 34  20 o 48.514  11.003  427.914    126.543  362.035    136.124  847.097    343.374  41.516  12.493  40.308  17.823  1.208523       21.76531 
1 1 1 -18 34  21 o 26.381  9.8804  121.995    85.369   160.174    87.641   -585.6615  377.318  29.633  10.136  ?       ?       0.000000       10.13585 
1 1 1 -18 34  22 o 23.321  8.1879  84.681     57.356   187.924    85.565   0.4363     77.292   32.483  9.9334  17.924  8.1455  14.55873       12.84610 
1 1 1 -18 34  23 o 52.842  6.4215  396.483    80.642   342.814    113.678  450.848    114.414  43.446  10.823  52.523  9.3190  -9.076302      14.28258 
1 1 1 -18 34  24 o 19.403  7.6163  48.324     52.358   9.4243     80.072   77.379     69.202   18.610  8.3899  22.653  8.7941  -4.042807      12.15423 
1 1 1 -18 34  25 o 31.028  10.175  177.186    88.448   367.616    254.067  150.924    94.350   32.099  14.657  28.339  10.430  3.760502       17.98941 
1 1 1 -18 34  26 o 18.434  8.2528  15.227     75.987   76.083     227.419  7.5793     80.620   25.174  12.177  18.374  8.3379  6.799988       14.75818 
1 1 1 -18 34  27 o 14.598  6.8904  -36.2105   63.817   -54.5326   242.158  -34.8430   66.156   22.855  11.349  14.919  7.0337  7.936456       13.35209 
1 1 1 -18 35  1  f 64.367  7.2956  569.411    111.931  387.591    188.089  669.107    139.278  43.970  14.850  68.352  8.5874  -24.38215      17.15385 
1 1 1 -18 35  2  o 26.984  9.4733  106.334    76.778   -79.5666   136.454  192.454    92.875   20.952  9.9442  34.909  10.275  -13.95734      14.29911 
1 1 1 -18 35  3  o 21.075  8.7355  39.400     73.175   -40.5541   140.382  69.228     85.745   22.348  10.444  24.060  9.6477  -1.711691      14.21805 
1 1 1 -18 35  4  o 43.678  8.7721  281.513    89.740   226.650    158.536  307.379    108.858  34.800  13.365  44.144  10.344  -9.343601      16.89995 
1 1 1 -18 35  5  o 19.616  8.3319  25.422     69.113   180.671    144.284  -20.8058   78.733   32.092  12.629  17.861  8.1571  14.23094       15.03407 
1 1 1 -18 35  6  o 23.801  8.2710  80.116     58.456   22.598     84.620   132.619    80.846   20.674  9.0031  29.119  9.7361  -8.444475      13.26074 
1 1 1 -18 35  7  o 17.655  7.5203  17.043     56.594   121.124    82.789   -74.2599   77.541   27.871  9.8325  15.360  7.3478  12.51099       12.27474 
1 1 1 -18 35  8  o 27.848  8.1771  116.221    58.884   141.416    82.893   90.557     83.661   29.637  9.8571  25.115  9.6917  4.521368       13.82357 
1 1 1 -18 35  9  o 21.470  8.0313  61.084     56.371   78.560     81.646   45.164     77.925   23.985  9.4802  21.348  8.9449  2.636786       13.03402 
1 1 1 -18 35  10 o 25.032  8.3468  94.251     59.424   2.9576     89.091   167.417    79.757   19.611  8.8447  32.094  9.5412  -12.48305      13.01011 
1 1 1 -18 35  11 o 28.653  8.5178  127.877    63.566   168.181    96.874   97.403     84.236   30.963  10.654  25.249  9.7300  5.713923       14.42844 
1 1 1 -18 35  12 o 15.668  6.8278  6.5036     48.742   -164.6508  87.030   84.725     58.835   13.625  6.7721  23.759  8.2955  -10.13395      10.70876 
1 1 1 -18 35  13 o 25.948  8.3630  105.296    59.880   175.849    92.409   54.230     78.619   31.443  10.405  21.554  9.0042  9.889166       13.76018 
1 1 1 -18 35  14 o 14.600  6.7776  -26.5537   57.570   -125.8434  81.658   71.569     81.177   13.878  6.8361  22.750  9.2903  -8.871197      11.53440 
1 1 1 -18 35  15 o 26.316  8.7457  112.898    65.259   177.740    89.439   39.077     95.432   31.363  10.230  21.230  9.3913  10.13295       13.88684 
1 1 1 -18 35  16 o 17.905  7.7167  23.199     60.889   30.161     85.231   15.942     87.017   20.077  8.8784  19.445  8.7581  0.6315746      12.47114 
1 1 1 -18 35  17 o 23.086  8.5494  83.374     63.563   104.004    87.860   60.718     92.073   24.839  9.8292  22.049  9.4961  2.789808       13.66706 
1 1 1 -18 35  18 o 22.041  9.5780  59.547     95.365   23.046     103.982  252.779    239.247  20.641  9.4063  29.327  13.681  -8.685057      16.60290 
1 1 1 -18 35  19 o 23.564  9.9252  85.575     96.756   99.829     105.232  7.6351     246.066  24.525  10.341  24.439  12.004  0.8564568E-01  15.84447 
1 1 1 -18 35  20 o 21.101  9.3521  42.633     95.076   59.136     101.226  -80.9434   277.003  22.201  9.7523  23.790  11.866  -1.589928      15.35932 
1 1 1 -18 35  21 f 12.819  6.1834  -63.2296   57.650   -130.1922  76.486   24.852     87.723   13.055  6.4645  19.821  8.8708  -6.765659      10.97640 
1 1 1 -18 35  22 o 29.045  8.8431  141.561    67.915   103.293    89.012   194.873    105.062  24.723  9.8585  31.217  11.070  -6.494392      14.82323 
1 1 1 -18 35  23 o 29.390  10.486  165.375    94.415   341.044    206.036  118.681    106.225  32.953  14.199  25.623  10.564  7.329872       17.69773 
1 1 1 -18 35  24 o 24.574  9.8886  104.415    90.427   -14.2129   223.478  127.641    98.884   23.392  11.480  26.113  10.398  -2.720858      15.48848 
1 1 1 -18 35  25 o 11.367  5.6017  -91.8066   55.054   -146.9886  231.925  -88.5115   56.674   21.394  10.699  11.696  5.7481  9.698549       12.14562 
1 1 1 -18 35  26 o 26.240  9.8074  131.485    84.025   343.715    240.486  101.973    89.677   29.611  13.781  23.848  9.7546  5.763258       16.88426 
1 1 1 -18 36  1  o 24.002  9.1365  77.390     73.682   62.894     132.637  83.860     88.614   25.624  11.212  25.054  9.8849  0.5696850      14.94718 
1 1 1 -18 36  2  o 19.824  8.4241  27.414     70.707   120.337    129.432  -12.1134   84.417   28.324  11.668  18.790  8.5288  9.533583       14.45245 
1 1 1 -18 36  3  o 16.618  7.3598  -1.1413    58.781   42.271     85.763   -39.6021   80.723   21.874  9.2858  17.101  7.9674  4.773392       12.23541 
1 1 1 -18 36  4  o 64.345  5.2592  544.729    81.393   483.239    110.180  618.593    120.759  57.687  8.0944  65.807  7.7089  -8.120319      11.17789 
1 1 1 -18 36  5  o 18.111  7.6222  23.466     56.987   157.700    80.601   -110.7089  80.583   31.274  9.6539  14.452  7.0500  16.82188       11.95410 
1 1 1 -18 36  6  f 38.667  7.4436  216.107    67.303   229.637    96.235   203.154    94.162   37.051  10.321  34.687  10.380  2.364464       14.63776 
1 1 1 -18 36  7  o 27.786  8.5166  119.358    62.855   130.148    90.165   109.157    87.670   28.057  10.216  26.335  9.9800  1.722124       14.28178 
1 1 1 -18 36  8  o 35.490  7.4851  184.992    62.429   129.235    87.249   243.484    89.364   27.868  10.064  38.752  9.5625  -10.88414      13.88292 
1 1 1 -18 36  9  o 16.997  7.2994  15.852     54.113   23.641     78.095   8.6581     75.050   19.655  8.6016  18.535  8.2565  1.120325       11.92296 
1 1 1 -18 36  10 o 22.503  8.2985  73.868     59.764   82.578     88.196   66.473     81.266   23.883  9.7105  22.529  9.2587  1.354080       13.41704 
1 1 1 -18 36  11 o 28.174  8.4729  126.701    62.630   202.432    91.923   61.088     85.562   33.753  10.291  22.199  9.3408  11.55440       13.89778 
1 1 1 -18 36  12 o 19.623  8.2873  38.800     67.753   24.592     89.897   57.483     103.084  20.181  9.0098  22.537  9.8720  -2.355261      13.36536 
1 1 1 -18 36  13 o 24.363  9.0454  96.273     71.242   71.660     96.608   125.612    105.478  22.930  9.7978  26.362  10.655  -3.431299      14.47461 
1 1 1 -18 36  14 o 24.051  8.7777  93.758     66.617   82.694     95.586   104.208    92.893   23.418  9.8644  24.797  10.007  -1.379400      14.05154 
1 1 1 -18 36  15 o 31.931  8.6999  169.121    69.238   185.247    97.962   153.023    97.874   30.784  10.707  28.157  10.573  2.627417       15.04709 
1 1 1 -18 36  16 o 17.768  8.3007  -18.7757   88.552   -28.1694   95.723   36.974     233.195  17.950  8.4621  24.470  11.949  -6.520113      14.64191 
1 1 1 -18 36  17 o 32.140  11.116  211.279    105.517  185.468    115.935  335.833    254.681  29.463  11.398  30.437  14.171  -0.9740906     18.18623 
1 1 1 -18 36  18 o 19.686  8.9278  20.142     92.240   18.248     99.972   30.990     239.199  20.034  9.1654  24.369  11.942  -4.334846      15.05394 
1 1 1 -18 36  19 o 23.540  8.7136  90.298     66.014   153.832    91.507   21.353     95.324   28.381  10.298  19.931  9.0531  8.449659       13.71186 
1 1 1 -18 36  20 o 89.937  5.5853  1114.38    121.283  1109.75    166.339  1119.64    177.217  84.111  8.2568  82.906  8.9516  1.205170       12.17808 
1 1 1 -18 36  21 o 38.645  8.0894  235.765    73.419   275.104    96.595   181.947    112.980  39.102  10.107  29.390  11.283  9.711319       15.14836 
1 1 1 -18 36  22 o 29.433  10.541  170.980    95.485   376.547    192.385  103.791    109.988  34.569  14.231  24.440  10.449  10.12888       17.65479 
1 1 1 -18 36  23 f 45.513  10.376  379.256    112.036  357.476    219.547  386.924    130.276  31.548  14.083  42.755  12.044  -11.20642      18.53031 
1 1 1 -18 36  24 o 19.089  8.6337  23.360     85.589   -106.4140  180.727  60.881     97.178   19.998  9.9087  21.478  9.4900  -1.479719      13.72015 
1 1 1 -18 36  25 o 16.176  7.6894  -34.2065   82.198   -36.6859   190.220  -33.6372   91.148   21.068  10.388  16.884  8.0461  4.184235       13.13996 
1 1 1 -18 37  1  o 72.685  5.3389  698.321    93.501   684.637    134.613  711.078    129.970  68.215  8.3042  70.303  7.7478  -2.088470      11.35729 
1 1 1 -18 37  2  o 22.204  8.3295  67.142     60.719   78.317     95.343   59.517     78.755   24.354  10.021  22.360  9.1433  1.993244       13.56532 
1 1 1 -18 37  3  o 25.476  8.7920  99.259     65.996   145.167    99.293   62.929     88.330   29.125  10.703  22.964  9.5645  6.160713       14.35394 
1 1 1 -18 37  4  o 18.720  7.8039  30.985     58.880   -12.0022   85.434   69.873     81.260   18.491  8.4644  23.053  9.3396  -4.561777      12.60453 
1 1 1 -18 37  5  o 29.764  8.3628  137.748    62.897   114.360    87.268   163.030    90.732   26.509  9.9777  30.646  10.314  -4.137560      14.35026 
1 1 1 -18 37  6  o 46.438  6.7631  306.270    73.967   349.052    102.236  259.278    107.147  46.719  9.3451  37.863  11.006  8.856037       14.43797 
1 1 1 -18 37  7  o 50.451  6.2110  354.454    74.427   401.726    103.354  303.536    107.266  50.863  8.6865  41.635  10.592  9.227833       13.69865 
1 1 1 -18 37  8  o 28.434  8.2884  128.037    60.694   98.163     85.711   158.084    85.959   24.787  9.7400  29.929  10.039  -5.141844      13.98753 
1 1 1 -18 37  9  o 22.874  8.2748  79.756     59.015   50.953     83.982   107.854    82.949   21.320  9.1231  25.407  9.6885  -4.086348      13.30781 
1 1 1 -18 37  10 o 27.032  9.0678  123.239    70.131   119.531    92.253   128.316    107.947  26.050  10.142  26.478  10.751  -0.4276810     14.78039 
1 1 1 -18 37  11 o 13.390  6.4189  -56.1254   59.874   -167.0479  82.512   67.241     87.018   12.856  6.4220  22.198  9.3844  -9.342250      11.37142 
1 1 1 -18 37  12 o 29.758  9.1339  153.105    72.269   123.728    95.263   192.936    110.924  25.951  10.246  30.373  11.285  -4.422733      15.24211 
1 1 1 -18 37  13 o 20.742  8.6232  56.783     71.614   53.757     96.698   60.460     106.577  21.525  9.4908  22.194  9.8659  -0.6698952     13.68981 
1 1 1 -18 37  14 o 26.332  10.739  136.946    108.277  179.815    121.229  -32.1245   240.753  28.598  11.470  23.208  11.488  5.389999       16.23370 
1 1 1 -18 37  15 o 17.423  8.2662  -35.5492   94.106   30.556     102.865  -374.8420  233.044  20.560  9.3640  19.041  9.6605  1.519163       13.45398 
1 1 1 -18 37  16 o 22.963  9.9166  81.168     100.960  45.979     112.747  223.560    226.803  21.596  9.8234  27.731  13.059  -6.134565      16.34109 
1 1 1 -18 37  17 o 49.432  7.0158  364.269    81.788   321.440    115.412  407.476    115.921  39.943  11.365  47.390  10.369  -7.447258      15.38495 
1 1 1 -18 37  18 o 17.547  7.7373  17.812     64.268   57.617     93.400   -17.9820   88.570   21.518  9.4121  17.680  8.2730  3.838276       12.53115 
1 1 1 -18 37  19 o 28.859  9.1391  146.488    71.750   198.671    102.731  96.792     100.253  31.059  10.953  23.896  10.086  7.163292       14.88969 
1 1 1 -18 37  20 o 24.977  9.9518  114.044    90.637   129.344    181.982  108.996    104.524  25.489  11.905  24.543  10.326  0.9454250      15.75879 
1 1 1 -18 37  21 o 17.189  8.0127  -14.2526   81.817   -8.3744    170.541  -16.0100   93.249   21.661  10.495  17.959  8.4307  3.702284       13.46173 
1 1 1 -18 37  22 o 16.598  7.8360  -27.5079   82.613   -17.2844   185.706  -30.0303   92.243   21.628  10.583  17.242  8.1813  4.385584       13.37637 
1 1 1 -18 37  23 o 27.394  10.748  166.844    104.222  -53.5628   210.571  238.358    119.944  21.246  10.556  31.175  11.705  -9.929449      15.76127 
1 1 1 -18 38  1  o 23.948  8.6280  86.556     64.067   137.473    93.924   42.251     87.613   28.244  10.405  21.390  9.2377  6.853518       13.91406 
1 1 1 -18 38  2  o 10.113  5.0656  -131.3413  52.943   -84.0102   83.894   -162.6659  68.250   15.408  7.4390  11.463  5.7431  3.945482       9.398043 
1 1 1 -18 38  3  o 50.611  6.4090  359.547    76.940   313.000    111.157  402.361    106.606  41.952  10.842  50.453  9.0403  -8.500744      14.11622 
1 1 1 -18 38  4  o 21.821  8.2725  68.089     60.251   21.032     82.701   121.318    87.957   19.619  8.7073  26.636  10.019  -7.017157      13.27374 
1 1 1 -18 38  5  o 25.153  8.4470  100.674    60.858   82.727     83.474   121.038    88.916   23.496  9.4846  26.453  10.044  -2.956732      13.81478 
1 1 1 -18 38  6  o 17.900  7.5649  27.806     56.515   -15.8029   77.403   77.598     82.709   17.170  7.9309  22.983  9.3807  -5.813158      12.28399 
1 1 1 -18 38  7  o 31.498  8.5071  161.385    66.547   176.135    91.844   145.083    96.554   30.680  10.377  27.804  10.489  2.876343       14.75423 
1 1 1 -18 38  8  o 16.606  7.4345  4.2922     61.669   53.738     76.936   -84.5705   103.140  20.883  8.8260  16.777  8.1364  4.106047       12.00417 
1 1 1 -18 38  9  o 38.359  8.4552  237.845    76.576   299.664    100.345  151.640    118.495  40.794  10.172  27.187  11.177  13.60652       15.11334 
1 1 1 -18 38  10 o 15.148  7.1279  -32.8054   67.337   -75.6259   91.447   17.913     99.524   15.921  7.7065  19.878  9.1128  -3.957178      11.93457 
1 1 1 -18 38  11 o 20.211  8.4899  52.092     70.485   174.387    94.894   -98.4177   105.273  29.522  10.515  16.366  7.9994  13.15683       13.21180 
1 1 1 -18 38  12 o 25.005  10.488  119.423    107.306  203.506    119.495  -230.7853  243.870  29.853  11.565  20.607  10.393  9.245497       15.54856 
1 1 1 -18 38  13 o 19.360  8.9911  7.3622     101.485  17.890     112.631  -38.0687   233.970  20.309  9.4451  22.615  11.217  -2.306301      14.66421 
1 1 1 -18 38  14 f 17.901  8.5092  -30.9228   100.647  -144.9144  111.480  471.577    234.060  15.694  7.7773  33.990  14.883  -18.29537      16.79224 
1 1 1 -18 38  15 o 37.958  8.7110  241.447    78.529   285.826    106.527  188.624    116.219  37.754  10.974  28.944  11.352  8.810696       15.78880 
1 1 1 -18 38  16 o 18.576  8.1338  29.523     69.912   -15.0100   93.706   85.432     104.995  18.023  8.4578  23.057  10.035  -5.033606      13.12368 
1 1 1 -18 38  17 o 12.797  6.2314  -75.8453   62.160   -68.5869   85.810   -83.8594   90.166   15.543  7.5087  15.469  7.5263  0.7341003E-01  10.63138 
1 1 1 -18 38  18 o 25.484  8.9743  114.561    68.937   111.318    97.951   117.744    97.039   24.505  10.128  24.936  10.167  -0.4308453     14.35086 
1 1 1 -18 38  19 o 18.200  8.3286  8.9448     82.616   -21.7537   170.621  18.347     94.423   21.198  10.323  19.331  8.8671  1.867678       13.60817 
1 1 1 -18 38  20 o 18.553  8.4800  15.312     85.307   -53.2762   186.058  33.568     95.991   20.847  10.278  19.944  9.0688  0.9028397      13.70717 
1 1 1 -18 38  21 o 16.478  7.7926  -25.0692   82.350   162.033    185.804  -70.8067   91.865   25.065  11.808  15.708  7.6318  9.356908       14.05975 
1 1 1 -18 38  22 o 30.310  10.847  210.546    101.101  262.902    214.288  195.555    114.665  26.433  12.521  27.979  11.179  -1.546265      16.78521 
1 1 1 -18 39  1  o 19.489  7.9533  44.173     59.440   81.287     90.700   16.235     78.694   23.488  9.7297  18.941  8.4449  4.547184       12.88348 
1 1 1 -18 39  2  o 35.189  8.0883  193.611    67.614   212.777    99.414   177.115    92.230   33.490  10.774  30.887  10.399  2.603062       14.97352 
1 1 1 -18 39  3  o 14.624  6.7850  -23.4840   57.575   -1.9897    88.491   -39.2627   75.818   18.617  8.5562  15.922  7.5137  2.695480       11.38702 
1 1 1 -18 39  4  o 41.649  7.3607  260.994    71.664   259.886    96.835   262.336    106.559  37.813  10.283  36.701  11.055  1.111374       15.09812 
1 1 1 -18 39  5  o 25.030  8.5523  103.941    62.395   123.111    89.857   86.092     86.707   25.956  10.036  23.262  9.5621  2.693985       13.86220 
1 1 1 -18 39  6  o 30.418  8.7800  157.298    68.408   181.285    97.989   134.494    95.544   30.055  10.687  26.494  10.320  3.561089       14.85635 
1 1 1 -18 39  7  o 13.889  6.5677  -37.3426   58.469   -20.5034   84.495   -52.8142   80.992   17.201  8.0591  15.670  7.4997  1.531050       11.00881 
1 1 1 -18 39  8  o 31.787  8.8145  173.797    70.356   99.247     97.244   255.683    101.917  23.778  9.9793  35.749  10.821  -11.97073      14.72045 
1 1 1 -18 39  9  o 26.170  9.1306  123.355    71.272   119.167    91.405   129.850    113.832  25.047  9.9893  25.336  10.723  -0.2896843     14.65536 
1 1 1 -18 39  10 o 31.458  11.220  218.353    108.092  225.507    119.447  186.001    254.009  30.937  11.667  25.934  12.621  5.003738       17.18769 
1 1 1 -18 39  11 o 12.444  6.2488  -179.5638  83.043   -204.5030  89.321   -20.6116   225.499  12.601  6.3469  22.387  11.088  -9.785372      12.77580 
1 1 1 -18 39  12 o 17.364  8.2386  -28.3036   93.494   -82.1385   101.595  269.431    238.922  16.307  7.9462  27.553  13.101  -11.24550      15.32243 
1 1 1 -18 39  13 o 26.099  10.533  141.746    102.914  171.553    112.863  -5.3139    250.691  27.634  11.073  22.949  11.421  4.684633       15.90732 
1 1 1 -18 39  14 o 17.399  7.8034  14.023     68.267   14.360     90.794   13.583     103.547  18.895  8.6775  19.532  9.0747  -0.6369400     12.55585 
1 1 1 -18 39  15 o 18.254  7.9273  30.911     65.243   -25.3830   88.455   98.077     96.619   17.138  8.0962  23.491  9.9075  -6.352695      12.79475 
1 1 1 -18 39  16 o 21.426  8.6713  71.716     69.967   47.615     91.075   106.426    109.297  20.500  9.1161  23.926  10.325  -3.425837      13.77366 
1 1 1 -18 39  17 o 25.760  10.593  139.789    106.473  79.755     198.297  164.107    126.209  23.586  11.400  26.561  11.269  -2.974810      16.02957 
1 1 1 -18 39  18 o 17.980  8.4803  -12.2273   96.333   -65.7206   181.839  8.6439     113.582  20.335  10.051  19.603  9.2343  0.7323170      13.64895 
1 1 1 -18 39  19 o 20.817  9.3463  57.802     98.211   -223.6216  198.245  149.335    113.061  18.496  9.3333  25.586  10.750  -7.089848      14.23659 
1 1 1 -18 39  20 o 25.004  10.036  134.435    92.876   75.905     188.996  153.070    106.641  22.402  10.899  25.623  10.577  -3.221329      15.18726 
1 1 1 -18 40  1  o 27.627  8.6030  128.505    63.850   197.334    103.283  85.926     81.233   31.063  10.980  23.116  9.3476  7.946447       14.41986 
1 1 1 -18 40  2  o 38.160  7.9179  229.690    70.910   187.371    103.832  266.679    97.073   30.033  10.959  37.875  10.294  -7.841726      15.03521 
1 1 1 -18 40  3  o 17.623  7.6472  24.351     60.622   -173.5302  104.382  125.068    74.469   14.611  7.2869  26.338  9.3217  -11.72703      11.83189 
1 1 1 -18 40  4  f 25.481  9.7992  121.984    85.304   305.874    228.365  92.165     91.961   29.202  13.536  23.265  9.7302  5.937033       16.67005 
1 1 1 -18 40  5  o 23.260  9.5371  94.116     85.979   260.000    245.481  70.921     91.793   27.440  13.112  21.856  9.4470  5.584686       16.16073 
1 1 1 -18 40  6  o 14.370  6.7036  -22.3088   57.433   -76.3615   88.410   17.158     75.545   15.404  7.4850  18.069  8.1473  -2.664776      11.06367 
1 1 1 -18 40  7  o 18.156  7.8180  33.360     62.387   -40.0177   94.202   90.687     83.265   16.953  8.1066  22.837  9.3771  -5.884851      12.39541 
1 1 1 -18 40  8  o 29.342  11.103  196.481    108.412  235.662    114.895  -121.6344  327.382  31.640  11.531  22.495  11.417  9.144751       16.22635 
1 1 1 -18 40  9  o 17.442  8.3019  -28.0454   96.431   -24.4271   102.675  -55.1087   280.803  17.955  8.5518  22.446  11.299  -4.490742      14.17008 
1 1 1 -18 40  10 o 23.756  10.271  109.132    108.541  86.709     120.007  209.941    254.455  22.738  10.259  25.684  12.528  -2.945583      16.19292 
1 1 1 -18 40  11 o 19.686  8.6043  45.914     77.923   90.789     114.996  7.8161     105.957  22.870  10.202  19.225  9.0128  3.644608       13.61264 
1 1 1 -18 40  12 o 15.791  7.3241  -12.1356   67.015   -24.9153   88.906   4.6794     101.981  17.033  8.0676  18.929  8.8638  -1.895765      11.98560 
1 1 1 -18 40  13 o 28.425  9.3021  150.998    73.931   209.499    97.994   73.707     112.637  31.372  10.718  22.138  9.9681  9.234751       14.63683 
1 1 1 -18 40  14 o 13.191  6.4042  -68.3147   64.351   -29.5839   85.088   -120.0697  98.359   16.583  7.8653  15.017  7.4166  1.565803       10.81057 
1 1 1 -18 40  15 o 27.094  10.842  166.440    108.054  -15.6668   198.796  242.801    128.731  21.525  10.615  30.568  11.959  -9.043325      15.99017 
1 1 1 -18 40  16 o 18.147  8.5367  -4.2241    96.449   171.906    182.625  -72.3509   113.580  25.182  11.814  17.114  8.3532  8.067749       14.46885 
1 1 1 -18 40  17 f 16.415  7.9230  -49.5115   95.019   -71.9090   181.840  -41.0989   111.444  19.811  9.8372  17.673  8.5427  2.138531       13.02875 
1 1 1 -18 40  18 o 24.493  10.394  137.826    107.389  213.706    204.215  108.823    126.255  25.013  11.954  22.838  10.391  2.175343       15.83883 
1 1 1 -18 40  19 o 16.566  7.9961  -36.7192   96.803   -176.2648  189.063  12.862     112.696  18.047  9.1074  18.848  8.9724  -0.8014488     12.78470 
1 1 1 -18 41  1  f 14.595  6.9114  -35.9105   65.192   -99.6287   94.171   22.729     90.340   15.249  7.4770  19.213  8.7600  -3.963797      11.51707 
1 1 1 -18 41  2  o 23.129  8.9472  93.662     71.437   67.308     101.241  119.795    100.816  21.663  9.6234  24.574  10.225  -2.910820      14.04144 
1 1 1 -18 41  3  o 16.832  7.6852  3.7873     69.841   -158.3459  215.428  22.829     73.828   20.017  10.053  18.142  8.1274  1.875036       12.92740 
1 1 1 -18 41  4  o 29.404  8.8833  156.055    68.728   123.096    98.400   187.449    96.035   24.606  10.159  29.494  10.570  -4.887720      14.66038 
1 1 1 -18 41  5  o 19.960  9.0320  41.383     93.808   21.037     98.128   257.322    319.684  19.249  8.9048  25.510  12.727  -6.260832      15.53326 
1 1 1 -18 41  6  o 21.000  9.4307  60.254     100.049  68.952     105.270  -20.9560   321.666  21.519  9.6680  22.800  11.544  -1.280779      15.05799 
1 1 1 -18 41  7  o 32.136  11.460  246.602    112.761  286.481    119.727  -66.4965   335.477  34.295  11.842  22.504  11.435  11.79127       16.46127 
1 1 1 -18 41  8  o 22.568  9.8775  91.991     103.006  102.497    108.419  -5.4068    330.112  23.112  10.124  22.895  11.604  0.2164936      15.39937 
1 1 1 -18 41  9  o 18.763  7.9827  43.832     63.633   -11.0626   95.103   88.327     85.622   17.783  8.3992  22.313  9.3641  -4.529541      12.57907 
1 1 1 -18 41  10 o 16.568  7.3993  13.977     60.693   -59.1877   93.569   67.119     79.745   16.111  7.7978  20.891  8.9134  -4.779898      11.84293 
1 1 1 -18 41  11 o 28.342  9.1825  151.038    72.119   271.783    99.409   16.874     104.787  36.397  10.607  19.348  9.0356  17.04911       13.93367 
1 1 1 -18 41  12 f 12.747  6.2234  -75.3903   63.178   -61.6017   82.579   -94.8534   98.111   15.159  7.3339  15.488  7.6017  -0.3288450     10.56278 
1 1 1 -18 41  13 o 17.076  8.1606  -30.7085   95.143   -43.4849   188.910  -26.3663   110.130  20.560  10.177  18.094  8.6823  2.465433       13.37724 
1 1 1 -18 41  14 o 22.258  9.8210  89.476     103.722  -226.1119  192.857  217.909    123.031  18.110  9.1465  28.769  11.549  -10.65924      14.73237 
1 1 1 -18 41  15 o 23.504  10.097  117.201    103.609  208.235    193.118  80.407     122.775  25.196  11.921  21.802  10.041  3.394094       15.58637 
1 1 1 -18 41  16 o 17.442  8.3226  -14.4029   98.188   -169.7886  199.591  35.208     112.778  18.569  9.3691  19.720  9.2620  -1.151785      13.17442 
1 1 1 -18 41  17 o 15.023  7.3798  -80.5632   93.084   -143.9032  179.827  -57.3801   108.793  18.004  9.0601  16.593  8.1149  1.411682       12.16295 
1 1 1 -18 42  1  o 19.409  8.3085  50.133     69.704   18.170     97.918   82.971     99.250   18.987  8.8224  21.994  9.6592  -3.007055      13.08186 
1 1 1 -18 42  2  o 26.782  10.043  152.208    88.246   289.128    166.417  98.648     104.084  29.347  12.702  22.756  9.9452  6.590853       16.13254 
1 1 1 -18 42  3  o 20.844  10.528  -114.4793  255.791  0.0000     0.0000   -114.4793  255.791  ?       ?       20.844  10.528  0.000000       10.52809 
1 1 1 -18 42  4  o 15.627  7.5342  -50.4179   85.335   -54.5922   88.628   2.6431     315.989  15.751  7.6148  22.492  11.394  -6.740613      13.70436 
1 1 1 -18 42  5  o 20.645  9.3104  59.421     98.703   9.7097     103.376  572.341    332.058  18.775  8.8338  28.162  13.855  -9.386784      16.43151 
1 1 1 -18 42  6  o 29.007  10.954  201.435    105.380  204.533    110.816  172.162    340.640  28.736  11.136  23.870  12.066  4.866297       16.41916 
1 1 1 -18 42  7  o 21.682  8.5524  81.888     66.319   117.148    99.820   54.026     88.734   23.698  10.037  20.127  8.9710  3.570761       13.46148 
1 1 1 -18 42  8  o 19.598  8.2950  55.096     68.115   183.754    101.954  -48.6294   91.544   28.049  10.730  16.149  7.7903  11.89955       13.26007 
1 1 1 -18 42  9  o 33.496  8.8560  202.231    73.074   136.299    112.076  250.983    96.376   24.567  10.526  34.495  10.541  -9.927801      14.89712 
1 1 1 -18 42  10 o 15.555  7.1202  -0.9697    60.443   -28.6810   93.201   19.145     79.405   16.903  8.0776  17.978  8.2033  -1.075064      11.51265 
1 1 1 -18 42  11 o 18.310  8.3529  23.759     82.282   73.086     250.586  17.797     87.112   22.685  11.310  18.280  8.4333  4.404121       14.10794 
1 1 1 -18 42  12 f 15.682  7.4989  -34.9281   80.598   0.0000     0.0000   -34.9281   80.598   ?       ?       15.682  7.4989  0.000000       7.498853 
1 1 1 -18 42  13 o 21.488  9.5628  83.719     100.407  252.643    187.598  15.900     118.866  26.023  12.132  19.283  9.1890  6.739992       15.21882 
1 1 1 -18 42  14 o 19.976  9.1771  55.035     101.671  84.771     200.400  44.728     117.983  21.808  10.735  19.950  9.4019  1.857407       14.27044 
1 1 1 -18 42  15 f 14.526  7.1780  -95.2460   92.538   -16.8798   189.020  -119.9492  106.126  19.722  9.8311  14.929  7.4295  4.793264       12.32266 
1 1 1 -18 43  1  o 21.493  10.767  5.2926     239.653  0.0000     0.0000   5.2926     239.653  ?       ?       21.493  10.767  0.000000       10.76748 
1 1 1 -18 43  2  o 53.471  11.575  618.202    145.817  211.242    164.752  2089.63    313.275  25.668  11.752  84.742  15.817  -59.07377      19.70511 
1 1 1 -18 43  3  o 14.817  7.3074  -99.6534   94.260   -31.6112   100.007  -641.1823  282.131  17.048  8.2037  ?       ?       0.000000       8.203742 
1 1 1 -18 43  4  o 17.150  8.2177  -24.3914   97.894   -54.8846   102.657  281.500    325.141  16.540  8.0434  24.361  12.249  -7.820944      14.65376 
1 1 1 -18 43  5  o 14.875  6.9423  -14.1245   61.702   97.237     95.001   -95.3770   81.148   22.297  9.6243  13.839  6.8164  8.458065       11.79371 
1 1 1 -18 43  6  o 16.237  7.3103  12.582     60.555   -1.5889    89.287   24.652     82.402   17.480  8.2197  18.237  8.3350  -0.7574787     11.70620 
1 1 1 -18 43  7  o 30.895  8.9924  179.428    71.489   63.906     102.209  290.070    100.027  20.708  9.3938  36.981  10.600  -16.27283      14.16376 
1 1 1 -18 43  8  o 25.852  9.1689  132.581    72.082   206.431    108.019  73.294     96.783   28.677  11.027  21.029  9.3712  7.647909       14.47133 
1 1 1 -18 43  9  o 26.680  10.260  163.713    93.515   203.999    257.000  157.565    100.397  23.883  11.830  25.769  10.402  -1.886007      15.75286 
1 1 1 -18 43  10 o 26.974  10.645  180.295    102.779  313.858    281.890  159.818    110.377  24.800  12.303  25.199  10.607  -0.3989429     16.24405 
1 1 1 -18 43  11 o 16.850  7.9814  -8.1963    87.056   515.970    280.325  -64.1452   91.585   27.345  13.297  15.361  7.4983  11.98357       15.26510 
1 1 1 -18 43  12 o 21.733  9.4595  98.290     93.322   0.0000     0.0000   98.290     93.322   ?       ?       21.733  9.4595  0.000000       9.459510 
1 1 1 -18 43  13 o 22.238  9.5505  112.247    92.636   188.051    288.915  103.561    97.799   22.090  11.161  21.651  9.5457  0.4395981      14.68657 
1 1 1 -18 44  1  f 20.571  9.5542  63.536     114.624  83.948     126.809  -27.6246   267.987  21.430  9.9849  20.990  10.618  0.4395809      14.57545 
1 1 1 -18 44  2  o 19.652  8.3888  60.727     70.694   119.193    100.147  2.6580     99.806   23.140  9.9338  17.956  8.5172  5.184654       13.08522 
1 1 1 -18 44  3  o 13.552  6.5452  -51.3629   65.090   -17.9587   89.007   -89.7638   95.432   16.681  7.9499  15.029  7.4002  1.652675       10.86112 
1 1 1 -18 44  4  o 19.757  8.3797  62.014     69.746   31.640     92.387   102.265    106.352  18.786  8.6728  22.220  9.8675  -3.434902      13.13715 
1 1 1 -18 44  5  o ?       ?       -229.0978  50.049   -154.6059  62.902   -357.6337  82.627   10.488  5.2881  ?       ?       0.000000       5.288070 
1 1 1 -18 44  6  o 21.762  8.4686  87.517     64.293   34.301     97.625   128.275    85.437   19.023  8.8292  24.236  9.6604  -5.213005      13.08728 
1 1 1 -18 44  7  o 20.858  9.1360  78.684     88.274   254.960    268.449  57.313     93.472   23.824  11.850  19.829  8.9904  3.994581       14.87442 
1 1 1 -18 44  8  o 13.805  6.7763  -79.1995   78.007   -256.2358  259.292  -61.5817   81.796   ?       ?       14.630  7.1290  0.000000       7.129005 
1 1 1 -18 44  9  o 20.338  9.0140  74.251     88.334   -296.1884  252.298  126.003    94.302   ?       ?       23.223  9.7909  0.000000       9.790868 
1 1 1 -18 44  10 o 13.827  6.7193  -53.9372   71.301   -220.1710  268.974  -41.3730   73.947   ?       ?       14.472  6.9861  0.000000       6.986091 
1 1 1 -18 44  11 o 16.184  7.6072  2.8610     76.342   -255.9777  273.749  24.689     79.496   ?       ?       17.292  8.0049  0.000000       8.004905 
1 1 1 -18 45  1  o 39.811  8.7621  289.752    82.346   302.901    116.128  276.455    116.783  33.747  11.662  31.620  11.609  2.126957       16.45526 
1 1 1 -18 45  2  o 22.640  9.0920  105.269    76.276   92.742     110.456  116.689    105.457  21.420  9.7353  22.573  9.9341  -1.153301      13.90907 
1 1 1 -18 45  3  o 15.318  7.1468  -6.4691    65.313   -26.7881   85.790   21.544     100.732  15.992  7.6706  18.425  8.6844  -2.432968      11.58694 
1 1 1 -18 45  4  f 20.739  10.139  61.691     169.307  61.691     169.307  0.0000     0.0000   20.739  10.139  ?       ?       0.000000       10.13862 
1 1 1 -18 45  5  o 23.952  10.025  141.532    97.704   -4.8568    180.228  202.460    116.271  19.592  9.7392  26.380  10.979  -6.788368      14.67634 
1 1 1 -18 45  6  o 15.082  7.3801  -61.7522   90.325   151.636    202.624  -114.6721  100.906  22.070  10.851  14.560  7.2457  7.510839       13.04796 
1 1 1 -18 45  7  o 15.348  7.2933  -15.3725   73.819   -201.1774  242.599  3.5865     77.494   ?       ?       16.350  7.6787  0.000000       7.678654 
1 1 1 -18 45  8  o 12.821  6.3240  -81.2679   70.693   -96.5756   241.790  -79.8370   73.923   ?       ?       13.154  6.4839  0.000000       6.483896 
1 1 1 -18 45  9  o 21.423  9.2195  108.179    86.657   -64.2681   259.276  129.865    91.944   ?       ?       22.515  9.5877  0.000000       9.587676 
1 1 1 -18 46  1  o 22.519  9.6984  120.489    96.034   -29.9979   172.719  187.832    115.541  18.857  9.3995  25.278  10.756  -6.421139      14.28406 
1 1 1 -18 46  2  o 14.067  6.9188  -76.0763   82.607   -68.2819   151.617  -79.3668   98.512   17.650  8.7993  15.096  7.4498  2.553326       11.52940 
1 1 1 -18 46  3  o 15.781  7.9591  -168.5232  143.149  -168.5232  143.149  0.0000     0.0000   15.781  7.9591  ?       ?       0.000000       7.959076 
1 1 1 -18 46  4  o 20.962  9.3042  98.281     94.449   221.603    176.365  48.691     111.838  23.222  11.101  19.009  9.0165  4.212807       14.30142 
1 1 1 -18 46  5  o 14.240  7.0141  -71.6161   85.947   -93.2517   174.548  -64.6916   98.747   17.527  8.8334  15.218  7.5001  2.308738       11.58793 
1 1 1 -18 46  6  o 18.074  8.4370  43.525     91.209   196.173    173.779  -14.5149   107.155  22.016  10.648  16.713  8.1476  5.302603       13.40782 
1 1 1 -18 46  7  o 16.688  7.9680  12.209     90.300   2.6417     171.296  15.891     106.264  18.260  9.1410  17.305  8.3589  0.9550495      12.38664 
1 1 1 -18 47  1  o 19.325  8.8262  70.645     92.202   241.888    167.686  -3.5636    110.386  23.471  11.106  17.181  8.3519  6.290318       13.89597 
1 1 1 -18 47  2  o 15.311  7.7453  -173.5799  142.667  -173.5799  142.667  0.0000     0.0000   15.311  7.7453  ?       ?       0.000000       7.745326 
1 1 1 -18 47  3  o 17.094  8.0811  25.227     88.420   177.318    163.773  -37.3427   105.045  21.408  10.350  15.888  7.8119  5.520316       12.96735 
1 1 1 -18 47  4  o 16.520  7.8931  13.232     88.911   -53.6183   168.934  38.844     104.565  17.260  8.6978  17.764  8.5069  -0.5041828     12.16630 
1 1 1 -18 47  5  f 14.218  6.9989  -52.5974   85.143   -2.6076    163.593  -71.1691   99.713   17.596  8.8265  14.592  7.2524  3.003318       11.42381 
1 1 1 -18 48  1  o 17.760  8.0609  56.361     75.396   183.936    168.321  24.339     84.330   20.626  10.089  16.541  7.8409  4.085482       12.77754 
1 1 1 -18 48  2  o 13.487  6.6929  -73.0854   83.661   -20.2996   156.091  -94.3610   99.097   16.967  8.5257  13.949  6.9787  3.017780       11.01768 
1 1 1 -17 -52 27 o 24.661  7.8309  130.755    52.652   223.633    116.634  106.983    59.006   22.429  10.117  21.006  8.1300  1.423393       12.97914 
1 1 1 -17 -52 28 o 19.465  7.3993  80.197     48.286   53.519     109.721  86.604     53.773   17.069  8.3044  19.656  7.7177  -2.586624      11.33691 
1 1 1 -17 -52 29 o 14.723  6.5638  26.378     47.529   -107.2596  104.619  61.133     53.353   13.667  6.8819  17.468  7.3645  -3.800923      10.07955 
1 1 1 -17 -52 30 o 11.669  5.5638  -19.8227   43.717   89.458     97.671   -47.2011   48.888   18.387  8.6306  11.089  5.4267  7.298432       10.19486 
1 1 1 -17 -52 31 f 11.126  5.3666  -30.8673   43.413   -125.0079  100.157  -9.0890    48.173   13.223  6.6676  12.682  5.9861  0.5410786      8.960434 
1 1 1 -17 -52 32 o 18.620  7.3489  70.710     48.993   54.394     103.908  75.374     55.557   17.311  8.3381  18.731  7.6717  -1.420670      11.33042 
1 1 1 -17 -52 33 o 18.090  7.2490  64.872     48.374   265.640    107.529  13.930     54.165   26.644  10.761  14.396  6.6443  12.24775       12.64729 
1 1 1 -17 -52 34 o 21.341  7.6460  96.493     50.248   157.617    112.444  81.241     56.168   20.708  9.5631  19.258  7.7779  1.450031       12.32679 
1 1 1 -17 -52 35 o 9.6439  4.7648  -59.5180   40.731   -220.8594  98.751   -26.4431   44.711   ?       ?       11.508  5.5247  0.000000       5.524744 
1 1 1 -17 -52 36 o 21.522  7.9904  104.013    55.592   274.956    108.549  43.238     64.724   27.113  10.861  16.444  7.4655  10.66928       13.17938 
1 1 1 -17 -52 37 o 17.352  7.3015  57.759     52.282   166.997    113.597  28.401     58.890   20.989  9.6638  15.437  7.0517  5.551741       11.96312 
1 1 1 -17 -52 38 f 22.823  8.2832  121.461    59.204   142.535    130.376  115.986    66.450   19.535  9.3925  21.423  8.5256  -1.887730      12.68485 
1 1 1 -17 -52 39 o 11.231  5.3890  -26.0532   42.428   -28.8590   135.134  -25.7464   44.687   16.014  8.0314  11.510  5.5251  4.503190       9.748314 
1 1 1 -17 -52 40 o 14.125  6.7374  -2.8558    64.219   17.261     137.157  -8.5042    72.678   16.737  8.3481  14.378  6.9372  2.358656       10.85429 
1 1 1 -17 -52 41 o 18.413  8.2497  82.911     76.090   160.381    175.364  64.943     84.454   18.857  9.4110  17.453  8.1374  1.404308       12.44126 
1 1 1 -17 -52 42 o 18.165  8.2267  80.732     78.017   157.416    191.611  65.492     85.418   18.516  9.3219  17.388  8.1326  1.127638       12.37085 
1 1 1 -17 -51 22 o 12.222  5.7756  -12.5383   45.076   -108.6584  104.555  9.4052     49.957   13.745  6.9155  13.861  6.3918  -0.1169109     9.416944 
1 1 1 -17 -51 23 o 24.022  7.7577  119.348    51.506   213.994    110.596  93.136     58.203   23.556  10.274  20.315  8.0124  3.240242       13.02919 
1 1 1 -17 -51 24 o 21.726  8.1221  105.726    57.635   -14.8662   110.896  150.354    67.462   15.968  7.8843  24.866  8.8647  -8.898165      11.86358 
1 1 1 -17 -51 25 f 18.802  7.8013  73.366     58.447   -22.2261   126.789  99.161     65.862   16.342  8.1310  20.540  8.3758  -4.198114      11.67336 
1 1 1 -17 -51 26 o 12.617  5.9861  -16.7537   49.358   12.741     119.965  -22.7641   54.154   16.978  8.3480  12.805  6.1293  4.173624       10.35652 
1 1 1 -17 -51 27 o 14.443  6.6639  9.3861     54.421   -132.7352  115.182  50.231     61.748   14.213  7.1647  17.223  7.5895  -3.009761      10.43712 
1 1 1 -17 -51 28 o 26.254  8.5856  151.302    62.985   188.036    132.356  140.548    71.613   21.885  10.198  23.828  9.0224  -1.943626      13.61645 
1 1 1 -17 -51 29 o 14.686  6.5842  18.748     48.548   -41.8077   103.569  35.801     54.960   15.430  7.6190  16.179  7.1434  -0.7487583     10.44404 
1 1 1 -17 -51 30 o 13.320  6.1215  1.5956     45.293   139.801    98.922   -35.0634   50.947   21.672  9.5753  12.046  5.8110  9.626225       11.20065 
1 1 1 -17 -51 31 o 14.456  6.4359  17.901     45.532   139.344    106.134  -9.4907    50.406   21.367  9.6434  13.189  6.1938  8.177121       11.46117 
1 1 1 -17 -51 32 o 29.359  7.4010  157.184    52.707   212.157    111.395  141.327    59.828   24.663  10.529  25.901  8.3606  -1.237885      13.44469 
1 1 1 -17 -51 33 o 18.520  7.3471  63.621     49.204   99.533     103.226  53.062     55.971   19.817  9.1555  17.545  7.4762  2.271963       11.82013 
1 1 1 -17 -51 34 o 12.612  5.9189  -12.1545   45.907   54.204     100.799  -29.5209   51.566   18.142  8.5921  12.377  5.9395  5.765304       10.44519 
1 1 1 -17 -51 35 f 9.8813  4.8560  -55.8806   40.429   -125.6216  97.683   -41.4646   44.412   13.521  6.7877  11.019  5.3427  2.502292       8.638124 
1 1 1 -17 -51 36 o 23.809  7.6952  111.188    50.672   25.902     112.110  133.084    56.805   17.467  8.4737  25.494  8.1380  -8.026838      11.74865 
1 1 1 -17 -51 37 o 21.564  8.0404  97.742     56.410   126.821    114.456  88.413     64.830   20.633  9.5705  20.164  8.2762  0.4689827      12.65266 
1 1 1 -17 -51 38 o 16.080  7.0211  35.241     51.774   85.019     143.977  27.848     55.485   19.114  9.3456  15.729  7.0462  3.385240       11.70418 
1 1 1 -17 -51 39 o 23.832  7.9082  115.222    53.366   96.270     141.422  118.369    57.626   19.326  9.4079  23.587  8.2112  -4.260824      12.48732 
1 1 1 -17 -51 40 o 17.140  7.2138  49.486     51.050   -79.4252   141.060  68.914     54.762   16.083  8.0844  18.792  7.6474  -2.709120      11.12831 
1 1 1 -17 -51 41 o 14.722  6.5623  20.510     47.488   -68.0316   151.250  30.193     50.017   16.461  8.2870  15.559  6.8444  0.9025831      10.74803 
1 1 1 -17 -51 42 o 14.517  6.7978  3.4742     59.986   -488.3111  182.643  62.936     63.509   ?       ?       18.097  7.8400  0.000000       7.840002 
1 1 1 -17 -51 43 o 12.416  6.1225  -65.0407   66.097   33.220     185.901  -79.2597   70.718   18.076  9.1110  12.427  6.1643  5.649682       11.00040 
1 1 1 -17 -51 44 o 16.291  7.6223  29.143     75.153   123.990    193.536  12.301     81.553   19.061  9.5668  15.845  7.5675  3.216114       12.19799 
1 1 1 -17 -51 45 o 10.233  5.0536  -63.0761   45.627   93.509     146.158  -79.9835   48.027   18.621  9.1670  10.009  4.9840  8.611802       10.43424 
1 1 1 -17 -51 46 o 14.897  6.6082  26.443     47.571   -105.5580  156.975  39.791     49.918   15.681  7.9530  15.981  6.9370  -0.2995977     10.55327 
1 1 1 -17 -50 19 o 11.760  5.5289  -14.0249   40.369   -41.9719   100.153  -8.6036    44.111   15.130  7.4747  12.498  5.8452  2.631677       9.488810 
1 1 1 -17 -50 20 o 17.433  7.1683  53.408     48.744   -19.7784   113.521  69.951     53.973   16.244  8.0128  18.858  7.6216  -2.613951      11.05866 
1 1 1 -17 -50 21 o 11.829  5.6124  -21.2246   43.397   -71.0239   97.342   -8.8714    48.482   14.551  7.2206  13.043  6.1088  1.508499       9.458049 
1 1 1 -17 -50 22 o 12.950  6.0098  -5.4015    45.213   2.3277     100.216  -7.3769    50.662   16.585  8.0379  13.379  6.2594  3.205902       10.18760 
1 1 1 -17 -50 23 o 14.175  6.3075  14.636     43.667   -83.1093   102.649  36.232     48.250   14.720  7.3228  16.152  6.9135  -1.432175      10.07077 
1 1 1 -17 -50 24 o 25.696  7.4464  121.670    49.117   79.008     110.786  132.108    54.797   19.357  9.1187  26.034  7.9471  -6.677544      12.09575 
1 1 1 -17 -50 25 o 10.145  4.9463  -47.5692   39.527   -56.9637   99.209   -45.7966   43.095   15.208  7.4994  10.739  5.2200  4.468467       9.137273 
1 1 1 -17 -50 26 o 14.902  6.7755  12.625     53.562   141.473    101.944  -36.5081   62.952   22.355  9.8041  13.359  6.4482  8.995447       11.73458 
1 1 1 -17 -50 27 o 12.559  6.0091  -29.7080   51.913   -26.3115   110.785  -30.6636   58.764   16.530  8.1061  13.219  6.3428  3.310829       10.29274 
1 1 1 -17 -50 28 o 19.747  7.9247  74.989     57.907   -76.2721   131.781  111.184    64.464   16.344  8.1570  22.717  8.5701  -6.373434      11.83152 
1 1 1 -17 -50 29 o 18.252  7.7806  56.617     60.668   15.660     133.881  67.201     68.057   18.199  8.9219  19.033  8.1803  -0.8338985     12.10440 
1 1 1 -17 -50 30 o 16.647  7.4075  33.238     60.229   -36.3210   133.894  50.882     67.436   17.178  8.5142  17.982  7.9275  -0.8047409     11.63349 
1 1 1 -17 -50 31 o 36.105  6.5459  211.123    55.234   263.092    114.039  195.195    63.133   28.758  11.254  32.402  8.0625  -3.644260      13.84430 
1 1 1 -17 -50 32 o 21.614  7.5483  87.345     48.714   161.040    103.393  66.317     55.229   23.615  10.114  19.099  7.7130  4.515705       12.71964 
1 1 1 -17 -50 33 o 20.093  7.4618  74.086     48.487   -32.4835   108.870  100.454    54.154   16.420  8.0487  22.653  7.9559  -6.232935      11.31716 
1 1 1 -17 -50 34 o 11.141  5.3538  -35.3369   42.226   -5.8226    103.283  -41.2603   46.270   16.896  8.1812  11.422  5.5169  5.473938       9.867519 
1 1 1 -17 -50 35 o 20.350  7.5066  76.525     48.908   95.194     108.188  71.730     54.830   20.372  9.3981  19.622  7.7648  0.7493248      12.19086 
1 1 1 -17 -50 36 o 34.937  7.0624  205.807    57.810   142.179    118.795  225.551    66.174   22.042  10.048  35.272  7.9254  -13.22939      12.79768 
1 1 1 -17 -50 37 o 14.058  6.3357  8.3072     45.621   143.858    100.157  -27.1791   51.246   22.859  9.8744  12.648  6.0288  10.21144       11.56938 
1 1 1 -17 -50 38 o 13.559  6.2144  -0.1067    46.241   37.823     100.955  -10.1771   52.019   18.164  8.6013  13.558  6.3428  4.606261       10.68705 
1 1 1 -17 -50 39 o 24.541  8.0591  118.277    55.475   184.230    149.956  107.819    59.711   22.462  10.590  22.885  8.3166  -0.4227982     13.46520 
1 1 1 -17 -50 40 o 13.865  6.3858  -0.2451    49.657   -30.2840   148.551  3.5338     52.688   17.658  8.7881  14.355  6.5992  3.302406       10.98998 
1 1 1 -17 -50 41 o 23.874  7.8212  109.706    52.259   -53.7870   148.171  132.933    55.848   17.226  8.6055  26.194  8.0277  -8.967316      11.76858 
1 1 1 -17 -50 42 o 15.599  6.9020  24.921     51.575   -30.8611   146.668  32.792     55.094   17.517  8.7202  16.332  7.1839  1.185095       11.29827 
1 1 1 -17 -50 43 o 13.191  6.4228  -48.8138   65.997   4.7127     142.910  -63.3235   74.406   18.002  8.9000  13.456  6.6076  4.546015       11.08465 
1 1 1 -17 -50 44 o 12.160  6.0208  -83.2181   66.306   102.373    183.823  -110.9774  71.092   19.884  9.8764  11.924  5.9574  7.960164       11.53406 
1 1 1 -17 -50 45 o 19.342  8.4831  77.333     76.321   42.959     166.215  86.517     85.914   18.765  9.3321  19.741  8.8110  -0.9762459     12.83442 
1 1 1 -17 -50 46 o 12.945  6.1049  -14.5005   49.904   -25.9886   150.236  -13.0757   52.909   17.321  8.6547  13.309  6.2793  4.012545       10.69272 
1 1 1 -17 -50 47 o 9.2421  4.6378  -98.4208   45.376   90.721     111.752  -135.7616  49.654   19.383  9.1394  8.9472  4.5309  10.43570       10.20087 
1 1 1 -17 -50 48 o 20.702  7.6565  86.626     50.946   65.524     119.684  91.296     56.302   18.426  8.8934  20.760  7.9663  -2.333630      11.93963 
1 1 1 -17 -49 15 o 17.756  7.8572  57.041     66.859   152.531    102.739  -13.1071   88.057   21.944  9.7239  15.451  7.4989  6.493565       12.27954 
1 1 1 -17 -49 16 o 20.103  8.9360  98.214     87.432   258.711    273.906  80.006     92.258   20.559  10.435  19.149  8.7769  1.409491       13.63528 
1 1 1 -17 -49 17 o 13.128  6.4741  -71.0450   73.972   85.338     305.560  -80.7805   76.240   ?       ?       13.057  6.4633  0.000000       6.463304 
1 1 1 -17 -49 18 o 13.686  6.7126  -59.4791   76.064   105.515    274.735  -73.1762   79.158   ?       ?       13.550  6.6849  0.000000       6.684889 
1 1 1 -17 -49 19 o 18.795  8.7561  58.748     97.460   217.105    297.680  39.736     103.145  ?       ?       18.199  8.6401  0.000000       8.640094 
1 1 1 -17 -49 20 o 28.994  11.149  257.061    110.420  21.275     305.474  292.499    118.427  ?       ?       30.163  11.559  0.000000       11.55873 
1 1 1 -17 -49 21 o 18.550  7.6231  59.132     55.085   412.751    288.888  45.790     56.115   23.155  11.630  17.479  7.4677  5.676594       13.82153 
1 1 1 -17 -49 22 o 21.289  7.4038  82.239     46.844   62.156     107.131  86.987     52.087   19.326  9.0610  21.462  7.7724  -2.135527      11.93786 
1 1 1 -17 -49 23 o 29.466  7.3398  150.590    52.282   138.668    110.214  154.051    59.389   22.528  10.022  28.535  8.1646  -6.006962      12.92715 
1 1 1 -17 -49 24 o 11.630  5.4733  -20.4510   39.728   36.726     99.617   -31.2648   43.323   18.383  8.6561  11.557  5.5184  6.825831       10.26551 
1 1 1 -17 -49 25 o 14.818  6.5651  15.630     46.815   10.917     99.821   16.959     53.006   17.541  8.3758  15.390  6.8911  2.150665       10.84630 
1 1 1 -17 -49 26 o 14.950  6.5299  19.361     44.815   1.9567     98.895   23.859     50.273   17.239  8.2600  15.693  6.8836  1.545805       10.75227 
1 1 1 -17 -49 27 o 17.464  7.1326  46.289     47.857   -22.3091   96.520   68.651     55.108   16.405  7.9348  19.602  7.7757  -3.196894      11.10957 
1 1 1 -17 -49 28 o 11.712  5.5896  -31.4181   44.335   -74.7785   99.509   -20.6794   49.521   15.208  7.5015  12.894  6.0811  2.313488       9.656734 
1 1 1 -17 -49 29 o 20.818  8.1544  82.776     59.910   121.690    125.896  71.384     68.116   21.706  10.057  19.742  8.3221  1.964132       13.05398 
1 1 1 -17 -49 30 o 15.797  7.0785  19.329     56.040   7.6709     121.861  22.455     63.109   18.226  8.8403  16.421  7.4213  1.805374       11.54237 
1 1 1 -17 -49 31 o 15.853  7.1355  18.448     57.654   40.602     135.687  13.567     63.690   19.357  9.3741  15.964  7.3078  3.393339       11.88606 
1 1 1 -17 -49 32 o 16.315  7.2965  24.238     59.233   129.411    138.654  0.7588     65.512   21.830  10.258  15.440  7.1883  6.390174       12.52616 
1 1 1 -17 -49 33 o 20.278  7.4989  73.160     48.868   190.630    109.495  43.941     54.608   25.656  10.664  17.494  7.4171  8.161602       12.98987 
1 1 1 -17 -49 34 o 46.844  5.7297  329.203    63.768   419.076    127.709  299.353    73.599   38.984  12.171  42.027  7.4921  -3.042858      14.29246 
1 1 1 -17 -49 35 o 13.107  6.2141  -24.7211   53.005   4.9126     143.066  -29.4360   57.067   18.723  9.1879  13.325  6.3546  5.398288       11.17130 
1 1 1 -17 -49 36 o 13.671  6.2306  0.0064     45.637   91.734     99.278   -24.5700   51.388   20.829  9.3707  12.935  6.1286  7.894150       11.19685 
1 1 1 -17 -49 37 o 16.047  6.8765  29.758     47.839   1.7882     106.361  36.852     53.563   17.604  8.4688  16.908  7.2619  0.6956291      11.15597 
1 1 1 -17 -49 38 o 16.164  6.9092  31.022     48.075   15.910     114.933  34.227     52.927   18.290  8.8000  16.676  7.1909  1.613953       11.36439 
1 1 1 -17 -49 39 f 10.006  4.9234  -63.6830   41.980   -118.3941  108.848  -54.1229   45.500   14.892  7.4293  10.889  5.3085  4.003200       9.130976 
1 1 1 -17 -49 40 f 19.698  7.4399  67.813     48.618   -33.6098   112.310  91.203     53.934   16.885  8.2553  22.016  7.9179  -5.131378      11.43867 
1 1 1 -17 -49 41 o 15.541  6.9066  19.367     52.198   -24.6173   148.940  25.526     55.732   18.269  9.0415  16.193  7.1692  2.075712       11.53892 
1 1 1 -17 -49 42 o 13.633  6.3571  -10.8718   51.565   156.581    148.757  -33.7404   54.973   22.440  10.570  12.900  6.1749  9.540806       12.24149 
1 1 1 -17 -49 43 o 21.864  7.9834  91.148     55.117   193.001    141.481  72.924     59.845   23.778  10.888  19.906  8.0324  3.871859       13.53003 
1 1 1 -17 -49 44 o 18.692  8.2536  55.940     73.381   95.198     141.320  41.447     85.863   20.660  9.8926  18.233  8.3976  2.426683       12.97623 
1 1 1 -17 -49 45 o 17.441  7.9914  32.149     76.394   263.623    167.400  -28.7382   85.855   24.699  11.496  15.540  7.5082  9.159122       13.73083 
1 1 1 -17 -49 46 o 20.390  8.7589  85.586     77.952   96.413     159.579  82.192     89.337   20.469  9.9707  20.091  8.9746  0.3780212      13.41490 
1 1 1 -17 -49 47 o 11.607  5.7892  -107.5387  65.921   -312.3357  150.252  -58.7213   73.358   ?       ?       13.626  6.6640  0.000000       6.663987 
1 1 1 -17 -49 48 o 14.400  6.4700  11.703     47.147   35.653     109.352  6.2348     52.253   18.227  8.7208  14.476  6.6241  3.750511       10.95130 
1 1 1 -17 -49 49 o 14.618  6.6332  11.289     51.010   -31.3404   111.023  22.696     57.430   16.365  8.0432  15.753  7.1032  0.6120234      10.73072 
1 1 1 -17 -49 50 o 13.820  6.3883  0.2157     50.353   89.729     117.098  -20.0905   55.772   19.614  9.2810  13.288  6.3216  6.326514       11.22941 
1 1 1 -17 -48 13 o 20.131  8.4756  86.457     70.509   77.938     107.078  92.979     93.687   19.348  9.0672  20.051  9.0539  -0.7027912     12.81357 
1 1 1 -17 -48 14 o 15.171  6.4957  26.180     42.623   161.112    104.197  -0.9353    46.710   23.442  10.099  13.529  6.2172  9.913031       11.85931 
1 1 1 -17 -48 15 o 21.947  7.2243  86.266     44.567   -5.8958    102.938  107.526    49.441   16.954  8.1989  24.152  7.5784  -7.198086      11.16490 
1 1 1 -17 -48 16 o 12.631  5.8468  -9.4688    42.398   -52.9567   107.481  -1.4547    46.140   16.057  7.8964  13.559  6.2118  2.498276       10.04690 
1 1 1 -17 -48 17 o 18.576  7.0346  57.303     43.538   119.287    108.030  45.283     47.573   21.880  9.8147  17.361  7.1034  4.519638       12.11558 
1 1 1 -17 -48 18 o 21.219  8.8815  92.914     76.699   78.778     113.704  104.717    103.897  20.310  9.4605  21.412  9.6135  -1.101891      13.48779 
1 1 1 -17 -48 19 o 30.612  11.442  270.654    114.361  83.835     299.114  302.639    123.765  21.069  10.714  31.373  11.865  -10.30402      15.98684 
1 1 1 -17 -48 20 o 37.773  12.329  403.856    129.914  0.0000     0.0000   403.856    129.914  ?       ?       37.773  12.329  0.000000       12.32944 
1 1 1 -17 -48 21 o 24.160  9.2847  128.245    76.551   -303.9054  227.566  183.385    81.288   ?       ?       28.622  9.7617  0.000000       9.761683 
1 1 1 -17 -48 22 o 20.383  8.7074  77.459     76.272   252.630    202.554  48.517     82.332   24.081  11.609  18.787  8.4849  5.294098       14.37966 
1 1 1 -17 -48 23 o 15.054  6.5376  19.378     44.377   16.308     195.781  19.544     45.563   20.061  10.001  15.164  6.6049  4.896934       11.98526 
1 1 1 -17 -48 24 o 21.659  7.4119  82.302     46.865   -24.7257   106.638  107.922    52.174   17.064  8.2750  24.374  7.8012  -7.310293      11.37247 
1 1 1 -17 -48 25 o 11.460  5.4593  -31.0122   41.873   -69.8949   94.821   -21.5931   46.669   15.213  7.4683  12.599  5.9301  2.614375       9.536345 
1 1 1 -17 -48 26 o 15.564  6.7126  23.947     46.141   43.903     97.145   18.134     52.433   18.971  8.8059  15.598  6.9274  3.373697       11.20410 
1 1 1 -17 -48 27 o 17.938  7.1014  49.799     45.878   97.107     100.034  37.199     51.628   21.358  9.5220  16.973  7.2048  4.385534       11.94058 
1 1 1 -17 -48 28 o 15.345  6.6261  22.319     45.066   16.415     99.059   23.860     50.607   17.994  8.5208  15.872  6.9357  2.122562       10.98669 
1 1 1 -17 -48 29 f 20.125  7.3970  69.931     47.429   107.596    98.903   58.682     54.049   21.896  9.6285  18.896  7.6304  2.999897       12.28542 
1 1 1 -17 -48 30 f 15.207  6.8080  13.262     51.707   90.699     92.985   -21.4023   62.213   21.085  9.3014  14.268  6.7551  6.817244       11.49557 
1 1 1 -17 -48 31 o 24.320  8.6678  118.785    64.494   12.162     142.092  146.451    72.380   19.115  9.3325  26.273  9.1994  -7.158251      13.10435 
1 1 1 -17 -48 32 o 13.556  6.4204  -24.4080   56.286   92.274     135.548  -48.7198   61.873   21.094  9.9823  13.140  6.3549  7.953918       11.83346 
1 1 1 -17 -48 33 o 13.559  6.4062  -22.4598   55.417   -157.2889  135.685  4.5334     60.711   15.821  7.9495  15.412  7.0845  0.4086380      10.64824 
1 1 1 -17 -48 34 o 17.800  7.7018  42.677     61.137   -63.1387   134.784  70.088     68.601   17.370  8.5975  19.907  8.3695  -2.536951      11.99855 
1 1 1 -17 -48 35 o 13.920  6.2964  2.5514     45.536   -22.4930   103.866  8.5104     50.664   17.006  8.2272  14.818  6.6776  2.188357       10.59608 
1 1 1 -17 -48 36 o 21.089  7.6491  79.170     50.476   126.253    112.678  67.350     56.457   22.594  10.087  19.722  7.8554  2.872593       12.78498 
1 1 1 -17 -48 37 o 22.720  7.7856  93.768     51.711   124.242    115.554  86.138     57.824   22.467  10.108  21.508  8.1161  0.9590435      12.96345 
1 1 1 -17 -48 38 o 20.157  7.6227  70.704     51.076   90.136     116.227  66.053     56.861   21.091  9.7338  19.625  7.8609  1.466320       12.51165 
1 1 1 -17 -48 39 o 13.295  6.1365  -8.7271    46.208   -183.2720  106.261  31.977     51.314   13.763  6.9310  16.589  7.1157  -2.825249      9.933396 
1 1 1 -17 -48 40 o 17.178  7.2230  39.185     51.102   106.348    118.397  23.809     56.651   21.769  9.9648  16.331  7.2294  5.437513       12.31103 
1 1 1 -17 -48 41 o 36.412  6.7267  210.499    57.241   348.529    124.361  173.395    64.477   35.347  12.074  30.583  8.4215  4.763546       14.72085 
1 1 1 -17 -48 42 o 11.125  5.3938  -49.3029   45.246   22.750     129.217  -59.3716   48.304   19.216  9.2662  11.152  5.4441  8.063895       10.74713 
1 1 1 -17 -48 43 o 14.127  6.4647  -1.6274    49.778   -216.6789  130.568  34.944     53.844   14.790  7.4753  16.971  7.2846  -2.180940      10.43769 
1 1 1 -17 -48 44 o 22.284  7.8622  90.469     52.935   290.472    139.294  56.708     57.229   29.199  12.073  18.833  7.7582  10.36592       14.35121 
1 1 1 -17 -48 45 o 18.156  7.3761  50.612     50.839   179.489    108.561  14.411     57.538   25.635  10.634  15.769  7.1102  9.865925       12.79201 
1 1 1 -17 -48 46 o 28.973  10.023  193.214    85.788   89.031     166.570  230.826    100.083  21.104  10.259  30.093  10.790  -8.989065      14.88872 
1 1 1 -17 -48 47 o 22.860  9.6915  122.858    93.224   0.0000     0.0000   122.858    93.224   ?       ?       22.860  9.6915  0.000000       9.691484 
1 1 1 -17 -48 48 o 18.799  8.3758  53.061     77.269   82.958     168.648  45.118     86.929   20.756  10.141  18.633  8.5328  2.122070       13.25318 
1 1 1 -17 -48 49 o 16.824  7.6466  24.705     68.139   -18.2683   124.189  43.213     81.502   17.687  8.6542  18.294  8.3332  -0.6075363     12.01404 
1 1 1 -17 -48 50 o 16.197  8.0305  -73.7584   119.454  -73.7584   119.454  0.0000     0.0000   16.197  8.0305  ?       ?       0.000000       8.030502 
1 1 1 -17 -48 51 o 17.446  8.5707  -17.8577   125.597  -17.8577   125.597  0.0000     0.0000   17.446  8.5707  ?       ?       0.000000       8.570737 
1 1 1 -17 -48 52 o 15.311  7.2236  -2.3447    70.010   -144.7777  169.628  26.899     76.862   16.618  8.4111  16.950  7.8553  -0.3316250     11.50877 
1 1 1 -17 -47 10 o 17.714  8.2087  39.267     83.913   0.0000     0.0000   39.267     83.913   ?       ?       17.714  8.2087  0.000000       8.208651 
1 1 1 -17 -47 11 o 13.193  6.5057  -78.6955   74.633   0.0000     0.0000   -78.6955   74.633   ?       ?       13.193  6.5057  0.000000       6.505747 
1 1 1 -17 -47 12 o 12.814  6.2114  -48.7340   59.901   -52.4084   95.922   -46.3850   76.694   15.521  7.5971  14.405  6.9930  1.116503       10.32559 
1 1 1 -17 -47 13 o 15.304  6.3373  27.922     38.459   112.052    95.954   11.820     41.978   22.001  9.5838  14.164  6.2489  7.836908       11.44104 
1 1 1 -17 -47 14 o 13.690  6.0231  9.5806     38.746   -96.1312   94.204   31.104     42.507   14.524  7.1887  15.940  6.6365  -1.415369      9.783748 
1 1 1 -17 -47 15 o 19.719  7.0205  64.627     42.299   17.336     103.950  74.012     46.306   18.289  8.6801  20.720  7.3489  -2.431084      11.37326 
1 1 1 -17 -47 16 o 16.876  6.7685  39.755     42.214   8.0044     103.659  46.068     46.221   18.045  8.5940  17.663  7.0831  0.3813591      11.13674 
1 1 1 -17 -47 17 o 22.059  7.5033  84.906     48.025   27.160     105.560  99.979     53.930   18.812  8.8739  23.423  7.9513  -4.611420      11.91506 
1 1 1 -17 -47 18 o 30.160  7.2275  150.837    52.200   103.783    114.803  163.100    58.609   21.906  9.9443  30.570  7.8581  -8.664333      12.67432 
1 1 1 -17 -47 19 o 35.158  6.7928  196.150    55.850   211.861    121.579  191.948    62.877   26.977  11.227  33.292  7.9022  -6.315001      13.72930 
1 1 1 -17 -47 20 o 19.872  8.2514  66.691     65.458   149.576    116.632  28.579     79.088   23.982  10.503  17.924  8.1818  6.057678       13.31371 
1 1 1 -17 -47 21 o 17.908  7.9934  35.489     70.721   111.587    191.459  23.466     76.103   21.984  10.755  17.515  8.0071  4.468771       13.40804 
1 1 1 -17 -47 22 o 8.8562  4.5019  -170.1808  52.420   0.0000     0.0000   -170.1808  52.420   ?       ?       8.8562  4.5019  0.000000       4.501896 
1 1 1 -17 -47 23 o 22.923  9.2567  110.370    79.543   373.587    202.160  62.155     86.522   27.750  12.818  19.827  8.8463  7.922728       15.57406 
1 1 1 -17 -47 24 o 21.483  8.9993  90.184     78.844   332.370    208.276  49.673     85.183   26.329  12.433  19.155  8.6429  7.173281       15.14228 
1 1 1 -17 -47 25 o 15.441  6.6957  20.832     46.410   -98.9444   199.048  27.718     47.726   18.932  9.5274  16.101  6.8832  2.830870       11.75373 
1 1 1 -17 -47 26 o 15.948  6.7288  28.401     44.597   -99.8794   102.554  58.316     49.524   15.157  7.5016  19.006  7.4224  -3.849073      10.55298 
1 1 1 -17 -47 27 o 14.732  6.4277  15.361     43.321   52.363     96.752   6.0824     48.450   19.570  8.9766  14.544  6.5443  5.026541       11.10889 
1 1 1 -17 -47 28 o 18.516  7.1715  53.838     45.940   90.156     100.168  44.164     51.697   21.351  9.5228  17.719  7.3432  3.631735       12.02524 
1 1 1 -17 -47 29 o 20.939  7.4198  75.157     47.194   101.843    98.319   67.168     53.796   21.966  9.6311  19.897  7.7455  2.068796       12.35925 
1 1 1 -17 -47 30 o 34.603  6.5527  187.156    53.003   255.953    108.440  165.561    60.754   31.400  11.234  30.501  8.0803  0.8992481      13.83833 
1 1 1 -17 -47 31 o 25.570  7.5029  112.977    49.589   68.306     105.435  125.666    56.192   20.422  9.3685  26.321  8.0500  -5.899298      12.35193 
1 1 1 -17 -47 32 o 36.942  8.8077  252.000    77.836   472.637    151.224  172.483    90.784   39.208  13.315  27.029  10.176  12.17827       16.75815 
1 1 1 -17 -47 33 o 31.432  9.0015  191.021    72.158   167.290    146.831  198.577    82.853   23.845  10.982  30.401  9.8414  -6.555714      14.74644 
1 1 1 -17 -47 34 o 17.099  7.5913  28.140     62.912   208.251    136.630  -20.3226   70.873   25.847  11.343  15.205  7.2020  10.64267       13.43598 
1 1 1 -17 -47 35 o 22.232  8.6876  95.618     67.877   322.484    146.295  33.383     76.623   30.702  12.497  18.075  8.1723  12.62736       14.93213 
1 1 1 -17 -47 36 o 17.693  7.2172  44.693     48.919   85.189     105.401  33.575     55.228   21.180  9.5800  17.051  7.3490  4.129192       12.07415 
1 1 1 -17 -47 37 o 18.273  7.3287  50.570     49.489   13.153     112.355  59.577     55.125   18.660  8.9038  19.211  7.7242  -0.5507774     11.78731 
1 1 1 -17 -47 38 o 19.981  7.6374  67.393     51.622   66.170     115.676  67.697     57.685   20.524  9.5540  19.966  7.9443  0.5573921      12.42544 
1 1 1 -17 -47 39 o 27.812  7.8427  136.061    55.212   107.638    116.477  144.298    62.704   22.152  10.040  27.710  8.5085  -5.558798      13.16071 
1 1 1 -17 -47 40 o 19.426  7.4712  61.805     49.590   10.765     112.260  74.179     55.275   18.614  8.8867  20.630  7.8989  -2.016500      11.88971 
1 1 1 -17 -47 41 o 20.816  8.1480  76.879     59.785   126.927    104.464  52.502     72.905   23.308  10.076  19.077  8.3308  4.231064       13.07422 
1 1 1 -17 -47 42 o 12.517  5.8942  -24.0225   46.203   -165.2438  102.000  12.434     51.825   13.897  6.9708  15.337  6.8445  -1.440473      9.769299 
1 1 1 -17 -47 43 o 17.275  7.2393  38.406     51.054   110.437    130.852  25.472     55.448   22.286  10.300  16.530  7.2405  5.756754       12.59066 
1 1 1 -17 -47 44 o 10.356  5.0488  -54.4438   41.167   -225.2336  98.392   -18.2014   45.325   12.671  6.4125  12.736  5.9461  -0.6540012E-01 8.745073 
1 1 1 -17 -47 45 o 17.748  7.2788  44.033     50.095   123.921    106.703  21.446     56.737   23.207  10.108  16.357  7.2382  6.849699       12.43216 
1 1 1 -17 -47 46 o 40.265  6.6007  251.544    62.254   256.756    126.852  249.890    71.450   29.437  11.759  38.282  7.9520  -8.845070      14.19535 
1 1 1 -17 -47 47 o 21.336  9.0548  85.965     81.509   157.310    184.948  68.767     90.803   23.178  11.154  20.384  9.0809  2.794287       14.38349 
1 1 1 -17 -47 48 o 19.166  9.5849  -66.6880   186.091  -66.6880   186.091  0.0000     0.0000   19.166  9.5849  ?       ?       0.000000       9.584885 
1 1 1 -17 -47 49 o 17.523  8.8095  -143.7323  167.758  -143.7323  167.758  0.0000     0.0000   17.523  8.8095  ?       ?       0.000000       8.809463 
1 1 1 -17 -47 50 o 15.672  7.8016  -115.9728  117.331  -115.9728  117.331  0.0000     0.0000   15.672  7.8016  ?       ?       0.000000       7.801589 
1 1 1 -17 -47 51 o 13.160  6.1494  -15.7462   48.648   90.907     122.863  -35.5758   52.978   21.086  9.8259  12.698  6.0739  8.388310       11.55171 
1 1 1 -17 -47 52 o 18.005  7.2144  50.849     47.909   30.746     127.618  54.147     51.689   19.108  9.2128  18.374  7.4472  0.7335434      11.84635 
1 1 1 -17 -47 53 o 21.814  8.9228  102.227    75.035   135.009    184.626  95.741     82.123   21.422  10.497  21.151  9.0353  0.2712917      13.84991 
1 1 1 -17 -46 8  o 16.009  7.6501  -10.8429   83.582   0.0000     0.0000   -10.8429   83.582   ?       ?       16.009  7.6501  0.000000       7.650128 
1 1 1 -17 -46 9  o 17.770  8.1861  30.636     81.651   0.0000     0.0000   30.636     81.651   ?       ?       17.770  8.1861  0.000000       8.186133 
1 1 1 -17 -46 10 o 13.903  6.7900  -64.6358   75.364   0.0000     0.0000   -64.6358   75.364   ?       ?       13.903  6.7900  0.000000       6.789990 
1 1 1 -17 -46 11 o 22.305  8.9102  99.836     72.837   33.094     112.006  148.742    95.879   19.175  9.0742  24.758  10.102  -5.583225      13.57911 
1 1 1 -17 -46 12 f 13.798  6.5174  -24.2009   57.283   -25.2629   93.132   -23.5546   72.650   16.586  7.9652  15.239  7.2395  1.346932       10.76362 
1 1 1 -17 -46 13 o 17.103  6.8271  40.547     42.728   116.254    100.063  23.666     47.252   22.936  9.8889  15.817  6.8076  7.119064       12.00551 
1 1 1 -17 -46 14 o 23.573  7.1907  92.927     44.875   67.276     108.066  98.272     49.329   20.674  9.4843  23.850  7.5805  -3.176321      12.14145 
1 1 1 -17 -46 15 o 19.209  7.1718  58.656     44.910   -20.9808   103.100  77.304     49.892   17.415  8.3681  21.265  7.6189  -3.849482      11.31688 
1 1 1 -17 -46 16 o 24.668  7.3713  102.730    47.514   282.609    109.885  61.365     52.695   34.007  11.351  19.525  7.6477  14.48211       13.68679 
1 1 1 -17 -46 17 o 22.965  7.5462  90.629     48.636   207.190    110.223  62.448     54.198   28.189  11.055  19.632  7.7353  8.557684       13.49289 
1 1 1 -17 -46 18 o 11.566  5.4849  -29.6979   41.337   -121.0254  99.977   -10.8659   45.399   14.673  7.2871  13.206  6.0908  1.466838       9.497325 
1 1 1 -17 -46 19 o 15.198  6.4046  22.683     40.322   -51.5300   103.220  36.047     43.803   16.536  8.0471  16.738  6.8287  -0.2021198     10.55402 
1 1 1 -17 -46 20 o 13.784  6.1420  4.5520     41.565   -0.0226    94.602   5.6464     46.270   17.648  8.3478  14.389  6.4410  3.258437       10.54381 
1 1 1 -17 -46 21 o 18.326  7.0118  51.155     43.538   -66.7175   97.857   80.247     48.615   15.794  7.7186  21.651  7.5417  -5.856873      10.79143 
1 1 1 -17 -46 22 o 23.862  8.6595  108.977    64.704   147.223    103.547  84.476     82.877   24.744  10.335  21.364  9.1002  3.380592       13.77038 
1 1 1 -17 -46 23 o 17.612  7.9098  27.426     70.390   40.974     196.023  25.420     75.421   21.200  10.470  17.767  8.0634  3.433023       13.21549 
1 1 1 -17 -46 24 o 23.242  9.2228  109.041    77.553   100.541    200.856  110.531    84.073   22.267  10.919  23.130  9.4511  -0.8627892     14.44093 
1 1 1 -17 -46 25 o 13.572  6.5543  -52.0639   65.250   -3.9635    184.646  -58.9277   69.750   20.351  10.071  13.784  6.6865  6.566957       12.08891 
1 1 1 -17 -46 26 o 26.747  9.5588  150.041    78.487   76.226     206.834  162.458    84.831   21.932  10.818  27.241  9.9109  -5.309177      14.67138 
1 1 1 -17 -46 27 o 12.116  5.7189  -26.9027   43.974   -102.3275  192.715  -22.7599   45.165   19.139  9.5978  12.505  5.8694  6.634234       11.25024 
1 1 1 -17 -46 28 o 18.774  7.2732  54.275     47.260   15.173     102.176  64.918     53.305   18.616  8.7661  19.910  7.7213  -1.293921      11.68172 
1 1 1 -17 -46 29 o 18.848  7.2971  54.867     47.548   -53.8131   101.229  85.632     53.859   16.421  7.9861  22.097  7.9161  -5.675957      11.24467 
1 1 1 -17 -46 30 o 15.491  6.6166  21.908     44.030   42.346     100.447  17.047     48.988   19.616  9.0517  15.529  6.8038  4.087432       11.32365 
1 1 1 -17 -46 31 o 26.448  7.4560  117.732    49.909   39.778     109.009  138.406    56.138   19.772  9.2277  28.261  7.8868  -8.488438      12.13882 
1 1 1 -17 -46 32 o 23.177  7.8694  94.308     52.825   362.057    146.841  54.506     56.615   33.965  12.905  19.005  7.7596  14.95958       15.05849 
1 1 1 -17 -46 33 o 15.510  6.7516  18.378     47.550   119.202    101.912  -9.6776    53.760   23.349  10.022  14.280  6.6007  9.069719       12.00055 
1 1 1 -17 -46 34 o 26.722  8.9977  139.172    69.053   28.805     144.585  171.785    78.596   20.327  9.8020  28.919  9.5972  -8.592167      13.71811 
1 1 1 -17 -46 35 o 20.459  8.3585  70.399     65.742   187.920    141.814  38.229     74.197   25.441  11.340  18.491  8.2251  6.949770       14.00894 
1 1 1 -17 -46 36 o 21.535  8.5687  83.550     67.112   145.670    144.510  66.468     75.779   23.767  10.927  20.274  8.6706  3.492529       13.94910 
1 1 1 -17 -46 37 o 24.116  8.0765  104.127    55.635   229.516    150.732  84.350     59.862   26.754  11.820  21.757  8.2463  4.996790       14.41253 
1 1 1 -17 -46 38 o 13.226  6.1367  -14.6562   47.108   -83.8135   108.770  1.3112     52.265   16.143  7.9396  14.765  6.7053  1.378248       10.39217 
1 1 1 -17 -46 39 o 16.154  6.8552  27.136     46.715   5.8888     101.071  32.908     52.679   18.262  8.6352  17.030  7.2547  1.231728       11.27822 
1 1 1 -17 -46 40 o 22.297  7.7673  86.311     51.567   43.990     111.988  97.699     58.092   19.991  9.3377  23.204  8.2310  -3.212843      12.44753 
1 1 1 -17 -46 41 o 22.715  7.8053  90.045     51.987   40.606     109.272  104.509    59.105   19.801  9.2404  23.884  8.3159  -4.082865      12.43140 
1 1 1 -17 -46 42 f 13.035  6.0124  -11.7912   44.250   -85.9192   102.489  5.1937     49.059   15.695  7.7167  14.693  6.6006  1.002021       10.15462 
1 1 1 -17 -46 43 o 16.718  7.1559  29.651     51.699   -0.8974    104.843  39.465     59.426   18.216  8.6664  17.904  7.6681  0.3115196      11.57182 
1 1 1 -17 -46 44 o 9.4801  4.7332  -95.9097   44.535   -87.7959   99.588   -97.9378   49.791   15.468  7.6057  10.195  5.0764  5.272940       9.144208 
1 1 1 -17 -46 45 o 15.047  6.6871  10.196     48.932   -64.0958   116.248  26.193     53.943   17.069  8.3563  16.625  7.2140  0.4434071      11.03950 
1 1 1 -17 -46 46 o 18.390  7.3968  49.017     50.572   66.937     118.824  45.053     55.887   21.077  9.7675  18.231  7.6017  2.845928       12.37700 
1 1 1 -17 -46 47 o 23.410  10.551  125.715    126.533  125.715    126.533  0.0000     0.0000   23.410  10.551  ?       ?       0.000000       10.55095 
1 1 1 -17 -46 48 o 25.668  12.098  240.938    195.484  240.938    195.484  0.0000     0.0000   25.668  12.098  ?       ?       0.000000       12.09832 
1 1 1 -17 -46 49 o 15.482  7.2858  -17.5081   70.371   -131.7975  174.205  4.7784     76.927   18.307  9.1727  16.962  7.8600  1.345472       12.07963 
1 1 1 -17 -46 50 o 33.764  10.764  256.935    99.397   258.291    200.696  256.495    114.415  25.732  12.168  31.398  11.497  -5.666412      16.74010 
1 1 1 -17 -46 51 o 13.989  6.3430  -0.7388    46.538   89.375     124.969  -15.2478   50.145   21.714  10.047  13.529  6.2954  8.184832       11.85610 
1 1 1 -17 -46 52 o 16.270  6.9697  27.676     49.115   129.340    129.291  10.531     53.095   23.006  10.486  15.334  6.8793  7.672044       12.54093 
1 1 1 -17 -46 53 o 21.417  7.7754  81.383     52.173   239.121    131.341  51.829     56.851   27.594  11.590  18.521  7.6900  9.073074       13.90912 
1 1 1 -17 -46 54 o 16.039  7.4492  3.7846     69.669   52.062     181.588  -4.5486    75.443   20.530  10.128  16.051  7.5503  4.478840       12.63259 
1 1 1 -17 -46 55 o 15.548  7.2982  -4.1626    69.847   80.388     183.858  -18.4233   75.508   20.667  10.195  15.360  7.3208  5.306775       12.55092 
1 1 1 -17 -45 6  o 22.476  11.123  192.616    225.128  0.0000     0.0000   192.616    225.128  ?       ?       22.476  11.123  0.000000       11.12252 
1 1 1 -17 -45 7  o 21.144  9.3348  88.200     93.834   0.0000     0.0000   88.200     93.834   ?       ?       21.144  9.3348  0.000000       9.334832 
1 1 1 -17 -45 8  o 19.800  8.8922  58.532     88.955   0.0000     0.0000   58.532     88.955   ?       ?       19.800  8.8922  0.000000       8.892198 
1 1 1 -17 -45 9  o 15.775  7.2168  4.4797     61.972   -85.3341   99.827   60.796     79.049   15.470  7.6082  19.878  8.6778  -4.408172      11.54074 
1 1 1 -17 -45 10 o 14.681  6.8820  -17.7494   61.758   2.2501     93.414   -33.2779   82.313   17.784  8.3765  15.795  7.5597  1.988750       11.28336 
1 1 1 -17 -45 11 o 17.690  7.7405  32.707     63.222   52.090     102.502  20.805     80.321   20.199  9.2554  17.949  8.2129  2.249987       12.37394 
1 1 1 -17 -45 12 o 14.116  6.1835  9.2165     40.448   -1.7176    94.711   11.656     44.732   17.817  8.4048  14.780  6.4879  3.036997       10.61759 
1 1 1 -17 -45 13 o 27.757  7.0972  124.374    47.986   302.039    106.697  79.328     53.725   36.929  11.049  21.564  7.8808  15.36584       13.57121 
1 1 1 -17 -45 14 o 10.572  5.0660  -37.1177   37.223   -4.2023    93.800   -43.2698   40.552   17.687  8.3499  10.820  5.2111  6.867082       9.842565 
1 1 1 -17 -45 15 o 23.421  7.2499  90.827     45.421   -13.4970   105.215  114.722    50.355   17.947  8.5780  26.108  7.5321  -8.160698      11.41557 
1 1 1 -17 -45 16 o 28.618  7.3430  134.594    51.241   196.208    111.419  118.066    57.706   27.799  11.047  25.696  8.2023  2.102980       13.75926 
1 1 1 -17 -45 17 o 15.244  6.5491  18.857     43.586   -25.7064   102.002  28.812     48.209   17.391  8.3477  16.473  6.9756  0.9185104      10.87860 
1 1 1 -17 -45 18 o 13.343  6.0310  -2.7596    41.688   70.981     102.847  -17.2573   45.602   21.071  9.5030  12.926  6.0109  8.145364       11.24447 
1 1 1 -17 -45 19 o 19.480  7.1229  59.745     43.897   1.8115     99.678   73.684     48.894   18.190  8.5936  21.046  7.5421  -2.855946      11.43388 
1 1 1 -17 -45 20 o 19.247  7.0438  57.702     42.941   -51.5835   95.743   85.222     48.044   16.257  7.8733  22.505  7.5053  -6.247509      10.87741 
1 1 1 -17 -45 21 o 24.589  7.2434  99.619     46.137   133.129    100.413  90.650     51.945   24.485  10.198  22.949  7.8035  1.536631       12.84101 
1 1 1 -17 -45 22 o 14.475  6.3309  10.871     42.248   81.420     97.771   -5.3264    46.848   21.617  9.5368  13.838  6.3089  7.778998       11.43467 
1 1 1 -17 -45 23 f 12.620  5.7543  -8.2282    38.991   -150.3979  89.849   24.757     43.278   13.419  6.7033  15.788  6.6433  -2.369039      9.437576 
1 1 1 -17 -45 24 o 21.027  8.2870  74.348     62.215   -8.4240    99.911   126.772    79.513   17.961  8.5202  25.067  9.5032  -7.106213      12.76345 
1 1 1 -17 -45 25 o 26.316  9.6511  141.543    80.675   93.372     202.763  150.603    87.935   22.875  11.164  26.554  10.011  -3.679749      14.99534 
1 1 1 -17 -45 26 o 16.854  7.6141  13.302     66.357   164.184    160.840  -17.6474   72.845   24.791  11.445  15.841  7.4412  8.949451       13.65100 
1 1 1 -17 -45 27 o 22.957  8.9876  97.373     72.751   154.395    167.324  84.080     80.787   24.454  11.419  21.863  9.1299  2.590565       14.62042 
1 1 1 -17 -45 28 o 15.028  7.0899  -25.8582   67.417   71.581     154.032  -48.9476   74.981   22.136  10.524  14.831  7.1289  7.305341       12.71099 
1 1 1 -17 -45 29 f 26.949  7.8085  122.812    54.014   112.856    166.726  123.979    57.093   23.362  11.060  26.742  8.1005  -3.380125      13.70918 
1 1 1 -17 -45 30 o 29.338  7.3581  139.359    52.287   217.385    106.568  114.621    60.007   30.362  11.099  25.363  8.3843  4.998430       13.90973 
1 1 1 -17 -45 31 o 34.437  6.7388  182.074    54.291   244.418    113.248  163.469    61.864   31.682  11.463  30.943  8.1328  0.7389908      14.05469 
1 1 1 -17 -45 32 o 31.700  7.0479  158.139    52.807   139.127    108.656  164.018    60.423   24.963  10.516  31.234  7.9520  -6.271034      13.18432 
1 1 1 -17 -45 33 o 27.451  7.6390  125.377    52.745   184.409    109.800  107.669    60.138   27.715  10.981  24.576  8.3962  3.138578       13.82350 
1 1 1 -17 -45 34 o 16.031  6.7704  24.854     45.218   64.144     104.898  15.886     50.114   21.133  9.5580  15.734  6.8879  5.399062       11.78123 
1 1 1 -17 -45 35 o 17.099  7.6701  17.411     65.980   -33.2264   137.424  32.580     75.216   19.085  9.2871  18.528  8.2587  0.5572834      12.42811 
1 1 1 -17 -45 36 o 18.355  7.9418  38.336     65.004   -21.4961   141.082  54.461     73.242   19.478  9.4625  19.769  8.4912  -0.2909164     12.71371 
1 1 1 -17 -45 37 f 30.188  9.2732  173.570    74.473   -97.8164   156.335  253.231    84.701   18.506  9.1774  36.891  9.4273  -18.38497      13.15672 
1 1 1 -17 -45 38 o 16.987  7.5848  18.758     63.729   -101.1931  133.716  54.012     72.491   17.420  8.6118  19.682  8.4504  -2.261583      12.06537 
1 1 1 -17 -45 39 o 19.017  7.9542  50.163     61.463   167.773    103.560  -13.7932   76.368   26.810  10.652  16.277  7.6372  10.53301       13.10659 
1 1 1 -17 -45 40 o 11.012  5.3258  -49.6559   43.446   -71.4677   97.512   -44.2537   48.528   15.909  7.7594  11.998  5.7587  3.911010       9.662862 
1 1 1 -17 -45 41 o 27.567  7.6993  127.937    53.479   115.985    113.916  131.315    60.568   23.418  10.315  27.111  8.3685  -3.693512      13.28248 
1 1 1 -17 -45 42 f 16.029  6.9174  21.768     49.057   -31.7445   103.921  37.112     55.647   17.431  8.3819  17.698  7.4946  -0.2676258     11.24387 
1 1 1 -17 -45 43 o 23.441  8.9527  103.554    70.897   223.319    176.034  80.367     77.456   26.163  12.040  21.496  8.9549  4.667244       15.00525 
1 1 1 -17 -45 44 f 20.322  7.9140  66.874     56.181   215.381    155.046  44.429     60.277   26.611  11.860  18.489  7.8132  8.121626       14.20221 
1 1 1 -17 -45 45 o 13.860  6.6759  -51.7391   66.590   19.316     112.980  -89.5630   82.430   19.478  9.1857  14.199  6.9688  5.278974       11.53006 
1 1 1 -17 -45 46 o 29.521  11.868  242.926    130.112  242.926    130.112  0.0000     0.0000   29.521  11.868  ?       ?       0.000000       11.86773 
1 1 1 -17 -45 47 o 31.495  12.205  279.134    133.116  279.134    133.116  0.0000     0.0000   31.495  12.205  ?       ?       0.000000       12.20513 
1 1 1 -17 -45 48 o 10.205  5.0425  -79.9284   45.671   -132.6266  112.824  -69.6009   49.946   15.589  7.7419  11.194  5.4795  4.395094       9.484822 
1 1 1 -17 -45 49 f 19.335  8.5035  45.654     77.159   497.142    203.035  -30.5586   83.418   34.759  14.491  16.183  7.7078  18.57611       16.41325 
1 1 1 -17 -45 50 o 19.741  8.3475  56.476     68.874   81.784     184.779  52.393     74.223   22.592  10.940  19.629  8.4897  2.962919       13.84793 
1 1 1 -17 -45 51 o 21.864  7.8573  81.074     53.101   40.686     156.220  86.350     56.463   21.237  10.228  22.324  8.0912  -1.087135      13.04152 
1 1 1 -17 -45 52 o 19.605  7.5773  60.338     51.202   109.258    111.813  47.358     57.596   23.004  10.171  18.576  7.7289  4.428066       12.77450 
1 1 1 -17 -45 53 o 30.999  7.6271  160.380    56.975   5.9644     118.361  206.951    65.002   19.069  9.1099  35.168  7.8198  -16.09910      12.00585 
1 1 1 -17 -45 54 o 14.897  6.9622  -13.7634   62.399   10.892     107.565  -26.2691   76.606   18.661  8.8489  15.573  7.4086  3.088687       11.54084 
1 1 1 -17 -45 55 o 23.761  9.3724  119.357    79.646   184.220    197.516  106.763    87.035   23.569  11.388  22.581  9.4570  0.9881401      14.80257 
1 1 1 -17 -45 56 o 22.169  9.1016  101.634    78.433   122.355    198.032  97.779     85.418   21.925  10.769  21.741  9.2493  0.1838150      14.19598 
1 1 1 -17 -44 4  o 22.038  10.903  125.675    215.833  0.0000     0.0000   125.675    215.833  ?       ?       22.038  10.903  0.000000       10.90282 
1 1 1 -17 -44 5  o 23.191  11.356  166.321    214.985  0.0000     0.0000   166.321    214.985  ?       ?       23.191  11.356  0.000000       11.35574 
1 1 1 -17 -44 6  o 23.563  11.519  164.629    218.524  0.0000     0.0000   164.629    218.524  ?       ?       23.563  11.519  0.000000       11.51918 
1 1 1 -17 -44 7  o 25.786  12.346  261.625    219.957  0.0000     0.0000   261.625    219.957  ?       ?       25.786  12.346  0.000000       12.34565 
1 1 1 -17 -44 8  o 20.384  9.1247  57.028     92.872   91.383     104.290  -74.5992   204.134  22.256  9.8325  20.210  10.097  2.045195       14.09345 
1 1 1 -17 -44 9  o 32.261  9.4467  198.877    78.685   131.693    123.822  244.383    101.906  24.166  10.693  33.086  10.926  -8.919748      15.28787 
1 1 1 -17 -44 10 o 20.825  8.3746  70.682     64.812   83.794     99.004   60.848     85.737   21.991  9.6527  20.529  8.9975  1.461872       13.19585 
1 1 1 -17 -44 11 o 16.087  6.5726  29.304     40.654   61.702     93.468   21.745     45.148   20.768  9.2351  15.754  6.7139  5.013204       11.41763 
1 1 1 -17 -44 12 o 15.353  6.3849  23.288     39.281   -68.8308   93.338   43.115     43.302   15.729  7.6540  17.689  6.9316  -1.959511      10.32619 
1 1 1 -17 -44 13 o 20.790  7.1349  69.077     43.434   3.1868     103.216  83.256     47.879   18.612  8.7783  22.415  7.4925  -3.802277      11.54109 
1 1 1 -17 -44 14 o 13.818  6.0891  5.8001     39.741   83.766     100.252  -8.7360    43.288   21.948  9.6713  13.215  6.0402  8.733081       11.40256 
1 1 1 -17 -44 15 o 15.062  6.5215  15.192     43.889   58.798     98.644   4.4293     49.007   20.700  9.3238  14.788  6.6234  5.912026       11.43692 
1 1 1 -17 -44 16 o 36.044  6.4424  195.815    54.276   245.620    113.750  181.133    61.760   31.635  11.482  33.049  7.8230  -1.414278      13.89333 
1 1 1 -17 -44 17 o 40.051  5.6814  230.992    53.665   296.802    117.148  213.514    60.372   35.233  11.718  37.092  6.9637  -1.858410      13.63116 
1 1 1 -17 -44 18 f 25.699  7.0771  105.797    45.532   207.939    98.521   78.055     51.344   30.561  10.731  21.696  7.7337  8.864817       13.22745 
1 1 1 -17 -44 19 o 11.770  5.4859  -20.4056   38.327   33.204     88.135   -32.9077   42.562   19.247  8.7280  11.721  5.5603  7.526533       10.34868 
1 1 1 -17 -44 20 o 13.052  5.8799  -3.8612    39.250   -0.1012    91.223   -4.7155    43.481   17.992  8.4118  13.565  6.1427  4.427415       10.41589 
1 1 1 -17 -44 21 o 12.465  5.7481  -14.9122   40.410   12.275     96.925   -20.6321   44.458   18.837  8.7611  12.704  5.9169  6.133245       10.57199 
1 1 1 -17 -44 22 o 28.232  7.0374  125.314    48.038   57.279     103.346  144.066    54.256   21.053  9.5075  29.863  7.4984  -8.810400      12.10867 
1 1 1 -17 -44 23 o 29.134  6.9147  131.758    48.147   91.841     105.174  142.342    54.155   22.820  9.9845  29.702  7.5099  -6.881964      12.49359 
1 1 1 -17 -44 24 o 18.418  7.1273  47.395     45.345   -3.3553    102.017  59.890     50.621   18.646  8.7737  19.895  7.5730  -1.249899      11.58995 
1 1 1 -17 -44 25 o 38.407  5.8528  212.077    52.818   166.805    105.080  227.382    61.098   27.486  10.790  38.869  6.7215  -11.38267      12.71204 
1 1 1 -17 -44 26 o 18.429  7.7185  40.444     57.981   -16.1582   96.666   72.250     72.463   17.944  8.4727  21.411  8.7645  -3.467182      12.19026 
1 1 1 -17 -44 27 o 16.468  7.4601  4.3073     64.194   41.033     152.189  -3.6412    70.801   21.988  10.455  16.613  7.6418  5.375036       12.95040 
1 1 1 -17 -44 28 o 22.242  9.0229  81.962     75.946   323.319    160.984  12.868     86.134   32.937  13.215  18.518  8.4849  14.41912       15.70441 
1 1 1 -17 -44 29 o 41.841  9.3427  307.365    92.452   414.744    179.290  268.471    107.905  35.936  14.098  35.521  11.203  0.4156685      18.00733 
1 1 1 -17 -44 30 o 15.049  6.9901  -17.6415   61.383   -195.1194  135.677  28.035     68.831   16.306  8.1587  18.268  8.0330  -1.962982      11.44958 
1 1 1 -17 -44 31 o 16.264  6.8348  24.524     45.715   234.695    95.707   -37.6014   52.034   34.268  10.510  12.954  6.1461  21.31373       12.17520 
1 1 1 -17 -44 32 o 23.674  7.6544  91.129     50.133   79.211     106.983  94.483     56.749   22.501  9.9488  23.737  8.1551  -1.236626      12.86403 
1 1 1 -17 -44 33 o 19.413  7.3955  54.888     48.301   32.230     105.336  60.921     54.352   20.330  9.3401  20.173  7.8041  0.1565113      12.17134 
1 1 1 -17 -44 34 o 15.047  6.7336  2.8032     50.526   4.8503     162.009  2.5827     53.179   21.368  10.322  15.318  6.8775  6.050361       12.40317 
1 1 1 -17 -44 35 f 31.683  7.0762  155.384    53.025   12.110     112.837  195.991    60.071   19.836  9.2997  35.569  7.2072  -15.73331      11.76554 
1 1 1 -17 -44 36 o 33.438  8.4697  189.677    68.795   162.222    112.066  206.279    87.149   26.921  10.946  32.550  10.037  -5.629595      14.85084 
1 1 1 -17 -44 37 o 25.799  9.1882  123.264    72.458   123.874    155.021  123.093    81.962   24.399  11.254  25.310  9.6357  -0.9115791     14.81544 
1 1 1 -17 -44 38 o 33.214  9.3257  201.599    78.243   41.021     163.159  249.556    89.164   22.058  10.580  36.420  9.8518  -14.36153      14.45658 
1 1 1 -17 -44 39 o 22.822  8.8710  91.038     70.486   35.377     144.699  108.355    80.708   21.443  10.196  24.051  9.4513  -2.607588      13.90262 
1 1 1 -17 -44 40 o 15.802  6.7969  18.980     47.048   -41.2349   100.913  35.703     53.181   17.262  8.2902  17.667  7.3951  -0.4051609     11.10925 
1 1 1 -17 -44 41 o 17.297  7.1814  34.303     49.574   -67.6604   114.041  58.059     55.047   17.318  8.4342  19.725  7.7881  -2.407061      11.48004 
1 1 1 -17 -44 42 o 23.324  8.0769  92.799     55.720   60.706     116.309  102.358    63.478   21.454  9.8411  23.983  8.5938  -2.529263      13.06526 
1 1 1 -17 -44 43 o 19.192  7.6813  53.138     54.244   -80.8064   115.551  90.999     61.434   17.032  8.3369  22.873  8.4169  -5.840590      11.84686 
1 1 1 -17 -44 44 o 35.359  12.855  346.484    142.687  346.484    142.687  0.0000     0.0000   35.359  12.855  ?       ?       0.000000       12.85522 
1 1 1 -17 -44 45 o 23.819  10.586  117.995    122.663  117.995    122.663  0.0000     0.0000   23.819  10.586  ?       ?       0.000000       10.58639 
1 1 1 -17 -44 46 o 19.834  9.6797  -30.0460   152.390  -30.0460   152.390  0.0000     0.0000   19.834  9.6797  ?       ?       0.000000       9.679691 
1 1 1 -17 -44 47 f 16.541  7.0821  25.029     50.658   109.991    119.187  6.2961     55.965   23.479  10.435  15.674  7.0450  7.804805       12.59060 
1 1 1 -17 -44 48 o 20.463  7.6090  66.336     50.451   133.491    121.224  52.268     55.484   24.593  10.741  19.146  7.7312  5.446789       13.23390 
1 1 1 -17 -44 49 o 14.615  6.4415  7.8312     44.499   -46.4538   104.184  19.944     49.214   17.243  8.3162  16.036  6.9244  1.206781       10.82159 
1 1 1 -17 -44 50 o 18.160  7.8369  34.942     62.963   -11.7498   139.235  46.944     70.593   19.902  9.6022  19.357  8.3257  0.5449524      12.70903 
1 1 1 -17 -44 51 o 20.112  8.2810  59.951     65.163   45.970     134.438  64.244     74.499   21.358  10.057  20.656  8.7052  0.7021694      13.30104 
1 1 1 -17 -44 52 o 11.155  5.3718  -46.3683   43.070   165.004    100.586  -93.8229   47.660   27.231  10.594  10.099  5.0182  17.13175       11.72207 
1 1 1 -17 -44 53 o 22.378  7.7741  83.757     51.640   -11.2855   113.055  108.815    58.050   18.710  8.9287  24.921  8.2469  -6.210333      12.15454 
1 1 1 -17 -44 54 f 26.628  7.7083  119.258    52.658   -129.1649  114.949  185.235    59.239   15.816  7.8480  33.952  7.3999  -18.13558      10.78650 
1 1 1 -17 -44 55 o 15.636  7.4153  -26.5527   75.582   0.0000     0.0000   -26.5527   75.582   ?       ?       15.636  7.4153  0.000000       7.415314 
1 1 1 -17 -44 56 o 23.762  9.7034  119.573    88.551   0.0000     0.0000   119.573    88.551   ?       ?       23.762  9.7034  0.000000       9.703399 
1 1 1 -17 -44 57 o 13.874  6.8183  -84.4877   79.739   0.0000     0.0000   -84.4877   79.739   ?       ?       13.874  6.8183  0.000000       6.818305 
1 1 1 -17 -43 2  o 18.789  8.5098  40.600     83.486   0.0000     0.0000   40.600     83.486   ?       ?       18.789  8.5098  0.000000       8.509791 
1 1 1 -17 -43 3  o 15.492  7.3933  -31.8969   77.536   0.0000     0.0000   -31.8969   77.536   ?       ?       15.492  7.3933  0.000000       7.393295 
1 1 1 -17 -43 4  o 24.476  9.6649  122.982    84.779   0.0000     0.0000   122.982    84.779   ?       ?       24.476  9.6649  0.000000       9.664854 
1 1 1 -17 -43 5  o 19.056  8.3270  43.038     72.945   0.0000     0.0000   43.038     72.945   ?       ?       19.056  8.3270  0.000000       8.326995 
1 1 1 -17 -43 6  f 23.611  11.468  108.828    206.889  0.0000     0.0000   108.828    206.889  ?       ?       23.611  11.468  0.000000       11.46751 
1 1 1 -17 -43 7  o 16.109  7.7740  -55.5090   91.384   -55.5090   91.384   0.0000     0.0000   16.109  7.7740  ?       ?       0.000000       7.774030 
1 1 1 -17 -43 8  o 20.506  9.3708  44.206     104.113  44.206     104.113  0.0000     0.0000   20.506  9.3708  ?       ?       0.000000       9.370818 
1 1 1 -17 -43 9  o 27.980  11.405  193.989    122.062  193.989    122.062  0.0000     0.0000   27.980  11.405  ?       ?       0.000000       11.40533 
1 1 1 -17 -43 10 o 40.243  7.0487  249.867    66.320   308.891    125.186  226.838    78.194   35.455  12.114  35.702  9.0224  -0.2471275     15.10473 
1 1 1 -17 -43 11 o 20.990  7.1986  69.781     44.209   55.720     108.304  72.592     48.427   21.063  9.5989  21.235  7.5170  -0.1726780     12.19195 
1 1 1 -17 -43 12 o 19.387  7.0838  56.884     43.405   73.556     97.164   52.727     48.515   21.661  9.5340  19.010  7.3679  2.650812       12.04917 
1 1 1 -17 -43 13 o 14.164  6.1941  7.9888     40.432   39.204     98.220   1.6203     44.365   20.052  9.1394  14.150  6.3225  5.901620       11.11314 
1 1 1 -17 -43 14 o 13.337  5.9514  -0.3312    39.170   86.741     92.846   -19.1842   43.203   22.399  9.5887  12.623  5.8637  9.775599       11.23952 
1 1 1 -17 -43 15 o 20.678  7.1598  66.873     43.784   193.173    101.971  38.324     48.480   29.463  10.844  17.622  7.1860  11.84108       13.00860 
1 1 1 -17 -43 16 o 18.845  7.0656  51.678     43.679   134.186    101.608  32.975     48.377   25.367  10.381  17.150  7.1052  8.217020       12.57936 
1 1 1 -17 -43 17 o 23.917  7.1396  90.713     44.591   67.536     99.903   96.479     49.831   21.641  9.5891  24.291  7.6060  -2.649519      12.23937 
1 1 1 -17 -43 18 o 20.799  7.1442  66.968     43.551   62.966     95.760   68.012     48.901   21.382  9.4354  20.865  7.5349  0.5168858      12.07480 
1 1 1 -17 -43 19 o 19.938  7.1075  59.859     43.367   128.606    97.018   42.693     48.480   25.431  10.239  18.177  7.2665  7.253815       12.55579 
1 1 1 -17 -43 20 o 21.464  7.3071  71.772     45.547   113.705    96.981   59.905     51.591   24.542  10.103  20.086  7.6453  4.455658       12.67005 
1 1 1 -17 -43 21 o 43.574  5.5670  266.237    57.514   357.560    135.428  246.142    63.527   39.053  12.576  40.774  6.6504  -1.721386      14.22610 
1 1 1 -17 -43 22 o 18.215  7.0180  44.285     43.816   40.483     96.832   45.264     49.134   20.598  9.2618  18.583  7.3514  2.015636       11.82472 
1 1 1 -17 -43 23 o 23.241  7.4091  84.915     47.097   128.221    102.213  73.242     53.066   25.699  10.452  21.671  7.8456  4.027897       13.06879 
1 1 1 -17 -43 24 o 45.039  5.3202  279.783    57.018   332.578    113.568  261.990    65.930   41.179  11.110  42.220  6.6562  -1.041210      12.95123 
1 1 1 -17 -43 25 o 11.118  5.3086  -40.0325   40.091   -72.4703   91.378   -32.3000   44.614   16.002  7.7353  12.259  5.7786  3.743575       9.655363 
1 1 1 -17 -43 26 o 10.118  4.9411  -61.0282   39.883   -193.6964  87.107   -25.8391   44.862   12.712  6.3854  12.663  5.9131  0.4948235E-01  8.702750 
1 1 1 -17 -43 27 o 14.380  6.3550  2.6033     43.597   -88.6616   90.267   30.369     49.789   15.462  7.5247  17.339  7.1977  -1.876696      10.41289 
1 1 1 -17 -43 28 o 16.677  7.4516  6.8782     61.632   -215.4309  144.389  56.407     68.153   16.858  8.4324  20.572  8.4695  -3.713507      11.95148 
1 1 1 -17 -43 29 o 15.392  7.1264  -18.7395   63.033   -75.1681   144.247  -5.4211    70.078   19.496  9.4933  16.775  7.6744  2.720894       12.20728 
1 1 1 -17 -43 30 o 17.889  7.8576  20.365     65.702   -104.1949  144.396  52.886     73.782   18.883  9.2590  20.565  8.6648  -1.681639      12.68102 
1 1 1 -17 -43 31 o 25.112  9.2158  108.896    73.577   -38.7697   154.087  152.510    83.741   20.790  10.048  28.677  9.9033  -7.886644      14.10825 
1 1 1 -17 -43 32 o 14.954  6.5317  7.7857     44.844   90.702     93.062   -17.2900   51.177   23.587  9.8200  14.060  6.4783  9.527339       11.76440 
1 1 1 -17 -43 33 o 11.818  5.6008  -36.1092   42.977   -45.1687   98.173   -33.9615   47.800   17.472  8.3330  12.673  5.9761  4.799423       10.25440 
1 1 1 -17 -43 34 o 23.345  7.9823  87.096     54.355   289.257    149.604  56.350     58.342   33.536  12.955  20.173  8.0012  13.36238       15.22644 
1 1 1 -17 -43 35 o 17.066  7.0342  29.986     47.078   -185.2050  98.689   93.381     53.566   13.964  6.9827  24.099  7.9195  -10.13515      10.55819 
1 1 1 -17 -43 36 o 48.112  5.4915  321.017    62.959   342.634    119.924  312.792    73.974   41.074  11.550  46.003  6.8349  -4.929100      13.42091 
1 1 1 -17 -43 37 o 26.633  7.5866  112.720    51.396   67.708     103.309  127.525    59.249   22.279  9.8173  27.773  8.2160  -5.494211      12.80160 
1 1 1 -17 -43 38 o 19.800  8.3746  47.369     69.352   187.635    150.670  9.6617     78.120   27.753  12.050  18.071  8.2033  9.682158       14.57691 
1 1 1 -17 -43 39 o 38.694  9.0280  255.255    83.211   118.601    170.993  297.659    95.251   24.936  11.611  40.869  9.7428  -15.93290      15.15690 
1 1 1 -17 -43 40 o 21.775  8.7076  74.384     69.641   309.763    146.820  6.0530     79.106   34.176  12.924  17.877  8.1688  16.29908       15.28908 
1 1 1 -17 -43 41 o 21.583  7.9349  73.779     54.580   125.882    120.233  60.255     61.256   25.022  10.814  20.359  8.1576  4.662582       13.54557 
1 1 1 -17 -43 42 o 21.320  7.9250  71.728     54.719   244.751    116.688  22.955     61.953   32.574  11.654  17.491  7.6577  15.08337       13.94452 
1 1 1 -17 -43 43 o 24.262  10.666  114.396    121.302  114.396    121.302  0.0000     0.0000   24.262  10.666  ?       ?       0.000000       10.66639 
1 1 1 -17 -43 44 o 30.610  11.863  232.651    125.769  232.651    125.769  0.0000     0.0000   30.610  11.863  ?       ?       0.000000       11.86312 
1 1 1 -17 -43 45 o 14.806  7.0377  -39.0881   68.830   87.053     121.540  -98.6419   83.512   22.904  10.330  14.290  7.0139  8.613791       12.48619 
1 1 1 -17 -43 46 o 18.951  7.6397  49.021     54.081   -54.9515   115.200  78.412     61.250   17.837  8.6380  21.834  8.3255  -3.996393      11.99706 
1 1 1 -17 -43 47 o 23.185  7.7485  88.559     51.206   0.9923     107.708  114.131    58.205   19.117  9.0014  25.794  8.2381  -6.676731      12.20210 
1 1 1 -17 -43 48 o 10.547  5.1225  -54.3070   41.271   -128.7630  93.605   -36.3409   45.981   14.434  7.1479  12.123  5.7594  2.310666       9.179435 
1 1 1 -17 -43 49 o 19.533  7.4519  56.555     49.085   -76.2635   104.475  94.176     55.604   16.579  8.0743  23.638  8.0735  -7.058231      11.41822 
1 1 1 -17 -43 50 o 33.023  8.7800  190.099    71.566   245.656    116.060  156.014    90.906   32.329  11.616  27.550  10.220  4.778841       15.47213 
1 1 1 -17 -43 51 o 12.719  6.0989  -48.5248   54.140   -64.4693   120.062  -44.4551   60.657   17.916  8.7095  13.703  6.5393  4.213345       10.89117 
1 1 1 -17 -43 52 o 14.197  6.6518  -25.6647   57.578   43.916     126.297  -43.9206   64.692   21.401  9.9692  14.186  6.7653  7.214923       12.04797 
1 1 1 -17 -43 53 f 18.070  7.2787  41.972     49.049   200.949    103.162  -4.4612    55.753   30.221  10.939  15.124  6.8904  15.09648       12.92850 
1 1 1 -17 -43 54 o 22.853  8.4483  89.389     62.015   0.0000     0.0000   89.389     62.015   ?       ?       22.853  8.4483  0.000000       8.448315 
1 1 1 -17 -43 55 o 15.904  7.0600  11.380     54.395   0.0000     0.0000   11.380     54.395   ?       ?       15.904  7.0600  0.000000       7.060034 
1 1 1 -17 -43 56 o 12.185  6.0502  -116.3027  68.780   0.0000     0.0000   -116.3027  68.780   ?       ?       12.185  6.0502  0.000000       6.050234 
1 1 1 -17 -43 57 o 14.324  6.9442  -61.8956   74.938   101.138    190.735  -91.6562   81.491   22.869  11.085  14.048  6.9018  8.821210       13.05788 
1 1 1 -17 -43 58 o 14.944  7.1817  -42.7467   75.995   -273.9313  214.273  -9.4821    81.279   17.947  9.1211  16.599  7.8169  1.348282       12.01245 
1 1 1 -17 -42 1  o 23.648  11.263  136.706    178.058  0.0000     0.0000   136.706    178.058  ?       ?       23.648  11.263  0.000000       11.26298 
1 1 1 -17 -42 2  o 14.682  7.0389  -46.5136   72.052   0.0000     0.0000   -46.5136   72.052   ?       ?       14.682  7.0389  0.000000       7.038866 
1 1 1 -17 -42 3  f 18.917  8.4367  33.154     78.604   0.0000     0.0000   33.154     78.604   ?       ?       18.917  8.4367  0.000000       8.436705 
1 1 1 -17 -42 4  o 26.555  9.8607  140.103    84.670   0.0000     0.0000   140.103    84.670   ?       ?       26.555  9.8607  0.000000       9.860676 
1 1 1 -17 -42 5  o 16.826  7.7906  -6.6433    75.351   0.0000     0.0000   -6.6433    75.351   ?       ?       16.826  7.7906  0.000000       7.790644 
1 1 1 -17 -42 6  o 33.440  9.3321  202.568    78.599   246.083    112.046  160.409    110.286  32.996  11.452  26.953  10.894  6.043680       15.80599 
1 1 1 -17 -42 7  o 12.507  6.0765  -67.5027   58.216   -176.1687  84.342   31.376     80.454   12.613  6.3283  19.088  8.5225  -6.475714      10.61511 
1 1 1 -17 -42 8  o 23.703  7.6413  91.806     49.989   25.004     101.483  113.208    57.440   19.789  9.1198  25.802  8.1778  -6.013205      12.24938 
1 1 1 -17 -42 9  o 21.295  7.7741  72.303     52.260   9.7689     108.541  91.174     59.626   19.516  9.1405  23.179  8.3265  -3.662525      12.36445 
1 1 1 -17 -42 10 o 17.298  7.1123  34.427     47.983   28.286     101.413  36.198     54.465   19.918  9.1561  17.874  7.4831  2.043879       11.82498 
1 1 1 -17 -42 11 o 15.022  6.6016  8.9906     46.425   -5.4518    100.483  12.910     52.347   18.578  8.7309  15.922  7.0032  2.655715       11.19250 
1 1 1 -17 -42 12 f 26.011  7.8832  112.141    54.061   124.559    114.427  108.572    61.339   24.787  10.629  25.045  8.4800  -0.2578125     13.59729 
1 1 1 -17 -42 13 o 29.701  6.8492  134.792    48.352   194.633    112.994  121.378    53.497   29.228  11.268  27.296  7.7279  1.932364       13.66307 
1 1 1 -17 -42 14 f 24.558  7.2061  94.985     45.743   234.334    106.030  63.119     50.704   33.080  11.149  20.416  7.6209  12.66334       13.50507 
1 1 1 -17 -42 15 o 34.084  6.2084  169.068    49.454   215.859    107.212  156.422    55.738   31.602  11.185  31.633  7.3944  -0.3124619E-01 13.40815 
1 1 1 -17 -42 16 o 14.290  6.1613  9.7067     38.846   -1.4033    95.950   11.885     42.484   18.747  8.7183  14.928  6.4398  3.818825       10.83880 
1 1 1 -17 -42 17 o 20.256  7.0331  60.960     42.263   9.4795     94.105   73.967     47.301   19.166  8.8139  21.867  7.4465  -2.700737      11.53845 
1 1 1 -17 -42 18 o 20.302  7.0808  60.948     42.861   -74.2377   95.164   95.348     48.005   16.302  7.8837  24.678  7.4172  -8.375916      10.82439 
1 1 1 -17 -42 19 o 28.866  6.8890  125.300    47.580   168.570    102.195  113.324    53.762   28.961  10.818  26.659  7.8093  2.301430       13.34182 
1 1 1 -17 -42 20 o 34.607  6.2579  172.139    50.614   156.743    103.207  177.015    58.077   28.160  10.791  34.236  7.2187  -6.076221      12.98251 
1 1 1 -17 -42 21 o 15.335  6.5339  14.546     42.742   -51.9809   97.692   30.295     47.533   17.350  8.2853  17.251  7.0843  0.9908676E-01  10.90109 
1 1 1 -17 -42 22 o 29.975  6.8261  133.242    48.536   164.408    99.600   123.536    55.582   29.138  10.718  27.977  7.8618  1.160744       13.29214 
1 1 1 -17 -42 23 o 14.983  6.4391  10.872     42.162   -43.9605   91.602   25.610     47.491   17.210  8.1621  16.871  7.0188  0.3381844      10.76497 
1 1 1 -17 -42 24 o 60.534  4.5534  483.230    66.391   509.038    124.862  473.058    78.391   55.246  9.6667  58.761  5.5644  -3.514854      11.15386 
1 1 1 -17 -42 25 o 35.041  6.1970  174.329    50.762   233.848    106.348  156.767    57.767   34.708  11.141  32.053  7.5517  2.654945       13.45907 
1 1 1 -17 -42 26 o 23.800  7.3421  85.923     46.629   5.2623     98.112   109.458    52.997   19.725  9.0445  26.531  7.7483  -6.806576      11.90961 
1 1 1 -17 -42 27 o 36.909  6.1484  192.276    53.126   166.417    105.524  201.055    61.487   29.373  10.988  36.902  7.1250  -7.528542      13.09609 
1 1 1 -17 -42 28 o 33.258  6.6099  160.006    51.461   254.733    100.492  126.335    59.914   37.447  10.588  28.160  8.2425  9.286814       13.41809 
1 1 1 -17 -42 29 o 13.126  6.2503  -48.1876   54.783   -106.2528  87.376   -10.5770   70.322   14.940  7.2997  16.797  7.6856  -1.856731      10.59965 
1 1 1 -17 -42 30 o 22.833  8.8665  77.980     70.361   187.002    140.883  41.750     81.215   29.555  12.174  20.611  8.8975  8.944611       15.07855 
1 1 1 -17 -42 31 o 44.467  8.4041  308.373    87.355   343.231    161.849  294.045    103.766  37.406  13.677  40.703  10.452  -3.296906      17.21391 
1 1 1 -17 -42 32 o 35.192  9.4599  209.530    82.519   256.680    161.536  192.882    95.988   32.408  13.155  32.184  10.603  0.2242050      16.89560 
1 1 1 -17 -42 33 o 33.804  7.2464  170.573    57.651   247.295    150.431  157.365    62.416   32.420  12.851  31.651  8.0950  0.7681904      15.18820 
1 1 1 -17 -42 34 o 51.525  5.0698  356.748    62.563   425.999    117.770  329.522    73.844   49.998  10.056  48.080  6.4960  1.917336       11.97188 
1 1 1 -17 -42 35 o 56.311  4.9070  423.464    66.376   492.008    124.534  396.264    78.448   54.073  9.8549  53.057  6.2112  1.015442       11.64889 
1 1 1 -17 -42 36 o 13.378  6.1501  -17.9209   45.764   33.948     92.888   -34.5475   52.590   20.681  9.2010  13.427  6.3122  7.253851       11.15800 
1 1 1 -17 -42 37 o 24.272  7.7797  91.975     51.872   90.025     104.944  92.606     59.671   24.084  10.249  24.098  8.3576  -0.1379776E-01 13.22476 
1 1 1 -17 -42 38 o 14.198  6.4551  -10.7634   48.616   68.621     104.722  -32.5716   54.889   22.844  9.9798  13.805  6.4768  9.038572       11.89730 
1 1 1 -17 -42 39 o 40.800  9.1115  276.408    87.922   202.282    175.004  301.435    101.687  28.725  12.711  41.057  10.241  -12.33220      16.32386 
1 1 1 -17 -42 40 o 23.666  9.2202  91.615     76.282   58.743     147.915  103.525    89.035   23.411  10.867  24.573  9.8389  -1.161449      14.65897 
1 1 1 -17 -42 41 o 18.602  8.2264  22.775     73.170   -152.3325  145.632  81.906     84.627   18.029  8.9260  22.917  9.4368  -4.888603      12.98945 
1 1 1 -17 -42 42 o 24.278  10.690  99.372     122.240  99.372     122.240  0.0000     0.0000   24.278  10.690  ?       ?       0.000000       10.68971 
1 1 1 -17 -42 43 o 19.963  9.2984  7.8540     109.826  7.8540     109.826  0.0000     0.0000   19.963  9.2984  ?       ?       0.000000       9.298440 
1 1 1 -17 -42 44 o 43.631  6.1036  272.830    62.848   236.269    120.467  286.502    73.667   32.136  11.792  43.443  7.2436  -11.30774      13.83940 
1 1 1 -17 -42 45 o 16.451  7.0988  19.153     51.653   21.043     94.566   18.350     61.664   19.570  8.9382  17.261  7.5963  2.308968       11.73010 
1 1 1 -17 -42 46 o 30.629  6.8626  142.444    49.737   275.838    107.045  105.717    56.168   36.696  11.086  25.218  8.0967  11.47859       13.72824 
1 1 1 -17 -42 47 o 17.443  6.8361  38.679     42.123   104.868    100.561  24.594     46.389   23.987  10.112  16.376  6.8836  7.611036       12.23237 
1 1 1 -17 -42 48 o 12.335  5.7846  -27.0317   43.709   32.894     97.026   -42.2891   48.958   20.105  9.1325  12.329  5.8814  7.775536       10.86248 
1 1 1 -17 -42 49 o 23.069  7.7361  86.204     51.044   165.441    107.421  63.095     58.012   27.635  10.890  20.514  8.0273  7.120729       13.52860 
1 1 1 -17 -42 50 o 14.003  6.3187  -4.3545    45.540   9.5117     100.726  -7.9171    51.056   19.289  8.9578  14.459  6.5897  4.830101       11.12058 
1 1 1 -17 -42 51 o 20.995  8.4494  66.400     66.031   57.610     133.740  69.234     75.930   22.293  10.342  21.427  8.8913  0.8659039      13.63875 
1 1 1 -17 -42 52 o 19.662  8.2132  49.539     65.408   96.168     134.661  35.140     74.829   23.778  10.785  19.162  8.4020  4.615793       13.67136 
1 1 1 -17 -42 53 o 17.770  7.9650  15.460     71.004   0.0000     0.0000   15.460     71.004   ?       ?       17.770  7.9650  0.000000       7.964999 
1 1 1 -17 -42 54 o 26.193  8.4984  117.757    61.756   0.0000     0.0000   117.757    61.756   ?       ?       26.193  8.4984  0.000000       8.498369 
1 1 1 -17 -42 55 o 20.942  8.0817  67.812     58.176   0.0000     0.0000   67.812     58.176   ?       ?       20.942  8.0817  0.000000       8.081680 
1 1 1 -17 -42 56 o 30.372  10.618  194.233    96.404   432.694    211.240  131.502    108.345  33.289  14.360  25.192  10.551  8.096836       17.81967 
1 1 1 -17 -42 57 o 20.600  9.1157  55.218     89.988   112.817    221.353  43.813     98.494   23.994  11.700  20.320  9.2192  3.674376       14.89590 
1 1 1 -17 -42 58 o 16.725  7.8257  -10.1198   79.235   -46.5714   220.726  -4.7277    84.894   21.147  10.555  17.341  8.1098  3.805634       13.31051 
1 1 1 -17 -41 1  o 21.718  9.1035  74.819     80.767   0.0000     0.0000   74.819     80.767   ?       ?       21.718  9.1035  0.000000       9.103500 
1 1 1 -17 -41 2  o 20.891  8.9533  60.066     81.113   0.0000     0.0000   60.066     81.113   ?       ?       20.891  8.9533  0.000000       8.953316 
1 1 1 -17 -41 3  o 33.606  9.9063  212.028    86.271   0.0000     0.0000   212.028    86.271   ?       ?       33.606  9.9063  0.000000       9.906251 
1 1 1 -17 -41 4  o 29.234  8.7747  148.471    67.218   141.421    97.656   154.817    92.661   26.518  10.404  27.785  10.316  -1.267511      14.65139 
1 1 1 -17 -41 5  o 19.642  8.1078  50.793     62.665   52.284     86.024   49.108     91.468   20.688  9.0414  20.720  9.1785  -0.3185463E-01 12.88379 
1 1 1 -17 -41 6  o 25.505  8.8467  114.413    66.860   240.938    91.724   -29.0308   97.664   35.682  10.125  17.716  8.4098  17.96613       13.16198 
1 1 1 -17 -41 7  o 10.277  4.9259  -38.6633   35.235   -103.1939  89.084   -26.6957   38.364   14.782  7.2531  11.504  5.4028  3.277772       9.044215 
1 1 1 -17 -41 8  o 14.147  6.1406  8.2025     39.107   136.579    91.059   -20.8312   43.304   26.356  10.127  12.642  5.8719  13.71379       11.70619 
1 1 1 -17 -41 9  o 13.605  5.9466  4.7805     37.223   20.796     90.127   1.4869     40.872   19.265  8.7707  13.836  6.1318  5.429789       10.70161 
1 1 1 -17 -41 10 o 15.678  6.7020  17.392     45.242   18.609     90.901   16.992     52.162   19.250  8.7808  16.328  7.0895  2.921518       11.28555 
1 1 1 -17 -41 11 o 29.478  7.8800  140.335    57.447   189.877    114.539  123.684    66.402   29.298  11.330  26.680  8.8199  2.617445       14.35855 
1 1 1 -17 -41 12 o 34.877  7.5606  189.198    62.136   296.585    121.141  150.858    72.384   36.911  11.895  29.216  9.1701  7.695541       15.01929 
1 1 1 -17 -41 13 o 21.553  7.8533  71.169     53.294   180.902    105.408  33.485     61.771   29.566  10.998  18.471  7.8619  11.09531       13.51869 
1 1 1 -17 -41 14 o 29.374  8.1295  139.482    59.908   100.536    120.541  152.257    69.039   24.506  10.707  29.944  8.8713  -5.437380      13.90431 
1 1 1 -17 -41 15 o 20.538  7.2296  61.806     44.735   139.834    115.424  48.014     48.528   26.804  11.027  19.069  7.3749  7.734848       13.26601 
1 1 1 -17 -41 16 o 13.523  5.9742  -0.3584    38.500   7.7788     89.916   -2.1852    42.603   19.163  8.7381  13.975  6.2233  5.188247       10.72777 
1 1 1 -17 -41 17 o 15.764  6.5556  20.123     41.407   62.369     90.401   8.9063     46.581   22.173  9.4760  15.382  6.6890  6.791109       11.59907 
1 1 1 -17 -41 18 o 36.549  5.7675  185.587    49.452   127.304    100.157  204.375    56.867   26.663  10.512  37.835  6.4241  -11.17192      12.31990 
1 1 1 -17 -41 19 o 32.892  6.2886  153.970    48.359   244.016    99.801   126.340    55.283   36.643  10.613  28.596  7.7666  8.047434       13.15143 
1 1 1 -17 -41 20 f 26.188  7.1906  102.783    47.086   86.031     100.228  107.527    53.338   24.168  10.136  26.396  7.7917  -2.227493      12.78508 
1 1 1 -17 -41 21 o 16.029  6.5981  21.790     41.353   138.874    88.898   -10.5406   46.715   28.143  10.160  14.087  6.3740  14.05630       11.99381 
1 1 1 -17 -41 22 o 22.269  7.1957  72.751     44.309   134.971    94.000   54.977     50.240   27.763  10.374  20.201  7.5770  7.561695       12.84628 
1 1 1 -17 -41 23 o 20.303  7.1932  57.391     44.354   0.7311     94.283   73.494     50.263   19.564  8.9315  22.359  7.6753  -2.794580      11.77634 
1 1 1 -17 -41 24 o 31.240  6.6185  139.960    48.608   98.624     100.577  152.557    55.523   25.257  10.331  32.137  7.2881  -6.879610      12.64283 
1 1 1 -17 -41 25 o 56.607  4.5987  419.312    62.618   414.023    117.938  421.388    73.893   50.041  10.062  55.871  5.5230  -5.830006      11.47813 
1 1 1 -17 -41 26 o 11.588  5.4909  -38.4359   41.263   -52.1306   88.326   -34.6126   46.669   16.981  8.0423  12.693  5.9604  4.287711       10.01028 
1 1 1 -17 -41 27 o 22.857  7.3579  76.610     46.362   72.553     92.515   77.971     53.574   23.480  9.7847  22.981  7.9220  0.4994507      12.58965 
1 1 1 -17 -41 28 o 18.247  7.0383  39.472     44.109   36.045     91.941   40.496     50.272   21.294  9.3255  18.806  7.4372  2.487864       11.92800 
1 1 1 -17 -41 29 o 19.454  7.2617  49.077     46.038   34.481     93.499   53.749     52.894   21.305  9.3656  20.309  7.7386  0.9962978      12.14903 
1 1 1 -17 -41 30 o 25.270  7.3700  94.936     47.977   99.621     97.668   93.446     55.081   25.421  10.260  24.813  8.0234  0.6088428      13.02484 
1 1 1 -17 -41 31 o 20.511  8.3908  47.757     66.364   -90.9329   132.080  94.596     76.756   19.302  9.3228  24.780  9.3509  -5.477505      13.20427 
1 1 1 -17 -41 32 o 17.540  7.7592  7.4590     65.153   57.077     130.958  -8.8623    75.108   24.067  10.800  17.590  8.0075  6.476349       13.44470 
1 1 1 -17 -41 33 o 43.419  8.2264  285.793    83.494   199.469    157.260  319.679    98.528   30.762  12.783  44.627  9.3962  -13.86548      15.86464 
1 1 1 -17 -41 34 o 18.655  7.4239  39.275     50.384   14.387     135.335  43.279     54.287   22.553  10.442  19.311  7.6994  3.241953       12.97359 
1 1 1 -17 -41 35 o 14.425  6.4431  -4.8864    46.034   56.629     95.613   -23.4496   52.523   22.521  9.6881  14.156  6.5367  8.365000       11.68707 
1 1 1 -17 -41 36 o 14.090  6.3635  -10.0640   46.309   -113.0556  102.725  16.205     51.880   16.346  7.9707  16.720  7.1630  -0.3740196     10.71641 
1 1 1 -17 -41 37 o 18.132  7.3069  35.309     49.452   136.914    103.697  5.4000     56.261   27.699  10.762  16.381  7.2303  11.31807       12.96503 
1 1 1 -17 -41 38 o 21.451  7.7710  66.215     52.074   121.472    112.991  51.313     58.677   26.525  10.911  20.193  8.0194  6.331760       13.54113 
1 1 1 -17 -41 39 o 23.869  7.9670  87.529     54.134   -79.1226   110.175  140.566    62.154   17.776  8.5681  29.795  8.2928  -12.01826      11.92410 
1 1 1 -17 -41 40 o 28.391  12.286  167.235    155.616  167.235    155.616  0.0000     0.0000   28.391  12.286  ?       ?       0.000000       12.28611 
1 1 1 -17 -41 41 o 28.388  12.577  175.526    171.776  175.526    171.776  0.0000     0.0000   28.388  12.577  ?       ?       0.000000       12.57654 
1 1 1 -17 -41 42 o 17.659  8.7068  -146.4276  133.567  -146.4276  133.567  0.0000     0.0000   17.659  8.7068  ?       ?       0.000000       8.706837 
1 1 1 -17 -41 43 o 22.850  7.8672  80.733     52.827   136.862    100.074  59.051     62.199   27.042  10.554  20.765  8.2533  6.276470       13.39771 
1 1 1 -17 -41 44 o 34.466  6.4596  172.213    52.036   237.673    104.788  150.788    59.950   34.708  11.050  30.843  7.9578  3.864752       13.61743 
1 1 1 -17 -41 45 o 26.454  8.4123  115.708    60.743   71.572     101.250  140.525    75.924   22.686  9.8636  28.117  9.4349  -5.431284      13.64942 
1 1 1 -17 -41 46 o 19.740  7.7916  52.963     55.081   -4.1953    106.209  73.991     64.421   19.428  9.0808  21.939  8.4937  -2.510994      12.43398 
1 1 1 -17 -41 47 o 29.591  6.8641  131.990    48.330   26.308     106.777  159.219    54.199   20.580  9.4361  32.383  7.0941  -11.80294      11.80535 
1 1 1 -17 -41 48 o 21.157  7.1954  68.076     44.165   59.458     102.981  70.019     48.889   21.856  9.7076  21.352  7.5534  0.5043430      12.30005 
1 1 1 -17 -41 49 o 16.753  7.0030  26.669     47.597   -39.7969   100.472  45.902     54.047   17.689  8.4345  18.933  7.6356  -1.244560      11.37735 
1 1 1 -17 -41 50 o 28.501  7.9222  131.815    56.762   164.730    111.826  120.391    65.880   27.780  11.059  26.374  8.7883  1.406206       14.12539 
1 1 1 -17 -41 51 o 19.027  7.5159  48.401     51.286   132.227    115.290  27.721     57.264   25.725  10.835  17.619  7.5361  8.106770       13.19789 
1 1 1 -17 -41 52 o 16.421  7.5077  -4.6268    66.932   0.0000     0.0000   -4.6268    66.932   ?       ?       16.421  7.5077  0.000000       7.507732 
1 1 1 -17 -41 53 o 21.544  8.9694  66.965     77.638   0.0000     0.0000   66.965     77.638   ?       ?       21.544  8.9694  0.000000       8.969360 
1 1 1 -17 -41 54 o 20.711  7.9990  63.228     57.028   0.0000     0.0000   63.228     57.028   ?       ?       20.711  7.9990  0.000000       7.999027 
1 1 1 -17 -41 55 o 24.335  7.7882  95.311     52.001   21.339     102.214  121.143    60.402   20.079  9.2159  26.892  8.3664  -6.813108      12.44706 
1 1 1 -17 -41 56 o 23.435  7.8294  88.653     52.282   20.471     102.909  112.374    60.698   19.990  9.2018  25.770  8.4284  -5.779593      12.47845 
1 1 1 -17 -41 57 o 33.285  10.655  224.257    97.322   718.808    238.529  125.485    106.599  43.324  16.451  25.161  10.496  18.16269       19.51416 
1 1 1 -17 -41 58 o 28.210  10.620  170.213    98.866   454.328    236.990  110.349    108.784  32.145  14.468  24.000  10.329  8.145210       17.77695 
1 1 1 -17 -41 59 o 21.665  9.2866  76.273     87.290   85.123     233.545  74.836     94.111   23.447  11.552  21.681  9.4665  1.766361       14.93501 
1 1 1 -17 -40 1  o 17.999  8.2754  0.6811     82.900   0.0000     0.0000   0.6811     82.900   ?       ?       17.999  8.2754  0.000000       8.275449 
1 1 1 -17 -40 2  f 32.325  11.156  219.005    106.251  0.0000     0.0000   219.005    106.251  ?       ?       32.325  11.156  0.000000       11.15565 
1 1 1 -17 -40 3  o 22.224  9.3420  74.266     85.445   0.0000     0.0000   74.266     85.445   ?       ?       22.224  9.3420  0.000000       9.342004 
1 1 1 -17 -40 4  o 19.719  8.5135  42.143     74.376   -60.0094   242.526  52.748     78.141   22.682  11.279  20.576  8.8023  2.105961       14.30718 
1 1 1 -17 -40 5  o 16.345  6.5221  30.036     38.983   -36.6483   82.114   49.438     44.292   16.365  7.7517  18.854  7.1059  -2.488543      10.51589 
1 1 1 -17 -40 6  o 20.880  7.1251  65.946     43.307   -7.5533    87.345   89.905     49.868   17.961  8.3413  23.766  7.6290  -5.805103      11.30395 
1 1 1 -17 -40 7  o 16.262  6.5423  28.633     39.571   43.052     86.746   24.844     44.467   20.403  8.9931  16.329  6.7923  4.074162       11.26986 
1 1 1 -17 -40 8  o 30.768  6.2813  137.861    45.306   241.173    94.873   107.340    51.566   35.810  10.341  25.971  7.6597  9.839500       12.86878 
1 1 1 -17 -40 9  o 8.9361  4.3974  -61.2492   33.516   -15.0542   93.101   -68.1276   35.925   18.193  8.5031  9.1239  4.5018  9.068990       9.621258 
1 1 1 -17 -40 10 o 48.313  4.8744  313.908    56.360   335.042    109.487  306.289    65.738   42.699  10.614  46.659  5.9413  -3.959969      12.16333 
1 1 1 -17 -40 11 o 30.453  6.6141  136.102    47.473   183.377    103.206  123.414    53.465   30.364  10.949  28.122  7.6378  2.242290       13.34999 
1 1 1 -17 -40 12 o 20.150  7.5471  56.785     49.810   72.857     92.354   50.192     59.151   22.833  9.6613  19.903  8.0017  2.929979       12.54463 
1 1 1 -17 -40 13 f 40.070  7.1108  236.210    66.604   253.207    127.492  229.829    78.110   34.365  12.193  37.862  8.6869  -3.496365      14.97128 
1 1 1 -17 -40 14 o 33.212  7.7307  168.330    61.131   136.189    116.092  180.662    71.908   27.232  11.114  33.414  8.7615  -6.182095      14.15239 
1 1 1 -17 -40 15 o 14.511  6.5429  -8.2680    48.720   -47.7960   100.117  3.9969     55.768   18.010  8.5391  16.205  7.1732  1.804871       11.15220 
1 1 1 -17 -40 16 o 40.910  6.9687  241.538    66.694   196.823    127.161  258.507    78.333   31.185  11.971  41.209  8.1229  -10.02454      14.46663 
1 1 1 -17 -40 17 o 29.473  6.7867  125.869    47.531   188.919    117.420  113.514    51.980   31.244  11.610  27.437  7.5641  3.807093       13.85676 
1 1 1 -17 -40 18 o 35.978  5.7411  177.431    48.434   232.158    98.726   160.085    55.582   36.393  10.560  33.141  7.1240  3.252491       12.73850 
1 1 1 -17 -40 19 o 21.242  7.2099  63.917     44.341   155.741    95.253   38.514     50.101   29.842  10.545  18.632  7.4068  11.20990       12.88609 
1 1 1 -17 -40 20 o 31.284  6.5837  138.994    48.393   177.609    98.433   126.685    55.573   31.694  10.742  29.045  7.7441  2.649164       13.24258 
1 1 1 -17 -40 21 o 13.397  6.0313  -10.2913   41.217   -8.4991    90.080   -10.7658   46.354   19.088  8.7203  14.155  6.3823  4.932952       10.80638 
1 1 1 -17 -40 22 o 15.877  6.6177  17.236     42.330   -5.3861    89.827   23.694     47.993   19.253  8.7616  17.121  7.0836  2.132143       11.26695 
1 1 1 -17 -40 23 o 16.326  6.6844  21.870     42.162   -61.4083   88.119   46.596     48.015   16.814  7.9837  19.437  7.3810  -2.622820      10.87284 
1 1 1 -17 -40 24 o 29.104  7.0170  122.080    48.975   94.972     96.914   131.377    56.755   25.524  10.249  29.710  7.7807  -4.186163      12.86780 
1 1 1 -17 -40 25 o 25.775  7.3250  96.973     47.970   125.252    95.228   87.357     55.530   27.788  10.430  24.346  8.0664  3.442430       13.18524 
1 1 1 -17 -40 26 o 14.475  6.3435  0.2885     42.606   130.087    90.261   -36.9231   48.328   28.264  10.232  12.936  6.0717  15.32757       11.89808 
1 1 1 -17 -40 27 o 19.309  7.1726  46.753     44.807   205.628    94.255   0.3660     50.930   35.018  10.364  15.641  6.8926  19.37682       12.44629 
1 1 1 -17 -40 28 o 23.300  7.4983  78.202     48.151   98.159     97.687   71.797     55.341   25.865  10.323  22.594  8.0317  3.271114       13.07979 
1 1 1 -17 -40 29 o 16.390  6.7685  20.275     43.698   -16.5229   91.314   31.206     49.767   18.998  8.7164  18.069  7.3131  0.9282436      11.37792 
1 1 1 -17 -40 30 o 13.992  6.2764  -9.3028    44.184   117.037    87.865   -52.0640   51.118   27.210  10.057  12.632  6.0215  14.57765       11.72155 
1 1 1 -17 -40 31 f 13.481  6.0582  -10.1517   41.365   0.4387     88.634   -13.1006   46.770   19.549  8.8188  14.119  6.3843  5.429708       10.88715 
1 1 1 -17 -40 32 o 24.411  9.0620  86.889     71.500   121.867    136.548  73.675     83.925   27.872  11.768  23.676  9.5267  4.196121       15.14082 
1 1 1 -17 -40 33 o 12.841  6.2136  -76.3115   59.348   -70.2848   122.444  -78.1621   67.850   19.515  9.3070  13.923  6.7141  5.591940       11.47601 
1 1 1 -17 -40 34 o 18.903  8.0838  23.984     65.863   230.677    134.726  -40.9276   75.500   34.305  12.488  16.306  7.6327  17.99873       14.63631 
1 1 1 -17 -40 35 o 19.445  7.5823  44.483     51.621   -1.4052    136.296  52.168     55.776   22.514  10.443  20.466  7.9089  2.048206       13.10015 
1 1 1 -17 -40 36 o 24.698  7.5715  90.061     49.677   116.493    98.236   80.979     57.582   26.927  10.471  23.513  8.2069  3.414505       13.30390 
1 1 1 -17 -40 37 f 25.378  7.6950  96.072     51.502   115.180    103.301  89.751     59.413   26.778  10.639  24.445  8.3455  2.333267       13.52131 
1 1 1 -17 -40 38 f 17.558  7.3014  25.452     51.362   169.883    112.117  -12.9089   57.781   30.453  11.339  15.537  7.0538  14.91623       13.35422 
1 1 1 -17 -40 39 o 38.872  11.840  286.160    121.726  286.160    121.726  0.0000     0.0000   38.872  11.840  ?       ?       0.000000       11.83986 
1 1 1 -17 -40 40 o 36.030  11.418  243.163    111.973  243.163    111.973  0.0000     0.0000   36.030  11.418  ?       ?       0.000000       11.41763 
1 1 1 -17 -40 41 o 35.082  14.146  312.645    185.456  312.645    185.456  0.0000     0.0000   35.082  14.146  ?       ?       0.000000       14.14575 
1 1 1 -17 -40 42 o 16.840  7.6628  -9.0656    68.687   87.588     146.172  -36.4557   77.813   25.429  11.411  16.473  7.7230  8.955307       13.77854 
1 1 1 -17 -40 43 o 17.340  7.4212  20.190     55.591   -97.8767   151.782  38.482     59.743   20.039  9.7532  19.134  7.9088  0.9055157      12.55686 
1 1 1 -17 -40 44 o 25.984  7.2474  101.847    47.419   92.091     103.898  104.414    53.293   24.499  10.300  25.941  7.8192  -1.442261      12.93183 
1 1 1 -17 -40 45 o 13.608  6.0112  -0.6422    38.966   -123.7905  93.361   25.334     42.879   15.030  7.3847  16.448  6.7385  -1.418025      9.997067 
1 1 1 -17 -40 46 o 22.626  7.2237  77.234     44.757   129.745    100.770  64.330     49.955   26.610  10.528  20.986  7.6099  5.624041       12.99012 
1 1 1 -17 -40 47 o 46.895  5.1366  298.161    57.492   299.281    118.402  297.816    65.765   38.440  11.670  45.985  6.0402  -7.544701      13.14058 
1 1 1 -17 -40 48 o 18.782  6.9778  48.129     42.409   -127.9086  106.280  81.466     46.251   15.914  7.8308  23.030  7.3423  -7.116389      10.73457 
1 1 1 -17 -40 49 o 34.360  7.2270  178.781    58.343   361.932    122.854  125.448    66.295   42.695  11.570  27.181  8.8037  15.51369       14.53887 
1 1 1 -17 -40 50 f 18.006  7.3840  36.078     51.550   42.805     116.274  34.433     57.511   21.770  9.9308  18.284  7.6740  3.486172       12.55028 
1 1 1 -17 -40 51 o 21.748  8.1826  72.501     58.681   0.0000     0.0000   72.501     58.681   ?       ?       21.748  8.1826  0.000000       8.182601 
1 1 1 -17 -40 52 o 27.165  9.8457  136.000    83.605   0.0000     0.0000   136.000    83.605   ?       ?       27.165  9.8457  0.000000       9.845684 
1 1 1 -17 -40 53 o 13.952  6.6098  -40.9752   59.747   -283.2798  148.522  5.8073     65.261   16.152  8.1415  16.957  7.6159  -0.8053303     11.14834 
1 1 1 -17 -40 54 f 11.463  5.5843  -69.3642   50.092   -125.1919  92.138   -45.9390   59.683   14.710  7.2487  13.739  6.5372  0.9708500      9.761054 
1 1 1 -17 -40 55 o 41.001  6.4972  243.565    62.482   289.898    118.481  225.715    73.540   37.238  11.739  37.550  8.2929  -0.3114891     14.37263 
1 1 1 -17 -40 56 o 27.254  7.9140  119.325    55.429   123.924    108.119  117.686    64.558   25.671  10.628  26.388  8.6952  -0.7172298     13.73142 
1 1 1 -17 -40 57 o 11.435  5.5188  -54.1033   46.067   -152.2112  91.059   -20.3560   53.406   13.925  6.9223  14.144  6.5523  -0.2186832     9.531625 
1 1 1 -17 -40 58 o 32.941  11.053  226.073    104.199  549.668    243.824  153.770    115.253  36.305  15.540  26.926  11.041  9.378468       19.06336 
1 1 1 -17 -40 59 o 39.835  10.582  307.101    104.009  498.884    253.702  268.356    114.033  32.942  14.885  34.808  11.561  -1.865540      18.84689 
1 1 1 -17 -40 60 o 17.118  8.0068  -11.0996   82.814   19.098     230.203  -15.5884   88.756   22.643  11.213  17.358  8.1727  5.284861       13.87501 
1 1 1 -17 -39 1  o 26.074  10.247  126.259    94.887   0.0000     0.0000   126.259    94.887   ?       ?       26.074  10.247  0.000000       10.24738 
1 1 1 -17 -39 2  o 32.147  10.326  196.506    91.341   -171.5652  217.160  275.621    100.680  20.836  10.410  38.434  10.499  -17.59791      14.78507 
1 1 1 -17 -39 3  o 16.060  7.4729  -21.1601   70.653   -98.1943   219.656  -12.2704   74.618   21.905  10.866  16.847  7.7837  5.057938       13.36607 
1 1 1 -17 -39 4  o 18.563  8.3986  12.112     81.073   101.468    229.017  -0.6911    86.687   25.455  12.290  18.351  8.4465  7.103794       14.91236 
1 1 1 -17 -39 5  o 15.201  6.5097  13.473     42.819   183.485    218.432  6.6790     43.666   27.317  12.849  14.736  6.4408  12.58130       14.37305 
1 1 1 -17 -39 6  o 20.021  7.1956  57.909     44.535   -19.2661   241.632  60.622     45.312   23.767  11.717  20.366  7.2646  3.401390       13.78650 
1 1 1 -17 -39 7  o 20.844  7.0134  64.107     41.954   68.136     89.809   62.983     47.450   22.321  9.4898  20.725  7.4296  1.596043       12.05221 
1 1 1 -17 -39 8  o 14.271  6.1009  9.7372     37.493   13.275     81.443   8.7857     42.234   18.864  8.4869  14.814  6.4055  4.050521       10.63287 
1 1 1 -17 -39 9  o 35.794  5.7208  177.878    48.012   123.951    94.724   196.523    55.697   26.461  10.284  37.073  6.4245  -10.61247      12.12588 
1 1 1 -17 -39 10 o 24.936  6.8893  92.118     43.066   71.689     88.654   98.428     49.270   22.901  9.5639  25.420  7.4844  -2.518593      12.14426 
1 1 1 -17 -39 11 o 15.285  6.2621  19.385     37.030   71.110     91.239   9.1847     40.518   23.079  9.6750  14.740  6.3229  8.338910       11.55792 
1 1 1 -17 -39 12 o 22.905  6.8776  76.554     41.289   59.440     96.003   80.439     45.736   22.679  9.7307  23.311  7.2847  -0.6317825     12.15541 
1 1 1 -17 -39 13 o 21.215  7.0785  64.195     42.734   -8.0199    98.902   80.772     47.385   19.622  9.0281  23.381  7.4294  -3.759146      11.69196 
1 1 1 -17 -39 14 o 15.105  6.7166  -2.7302    49.433   76.731     104.915  -25.4047   56.044   24.261  10.283  14.592  6.7431  9.668871       12.29681 
1 1 1 -17 -39 15 o 48.606  6.3810  327.405    73.439   392.917    133.239  298.818    88.016   46.702  11.764  44.412  8.4768  2.289398       14.49995 
1 1 1 -17 -39 16 o 42.022  7.0506  251.171    69.344   202.731    127.856  271.358    82.538   32.554  12.111  42.557  8.2913  -10.00295      14.67762 
1 1 1 -17 -39 17 o 26.865  8.3301  109.585    59.936   77.759     116.114  121.145    69.979   25.057  10.725  27.814  9.0475  -2.756628      14.03140 
1 1 1 -17 -39 18 o 16.537  7.1924  7.5369     53.870   23.769     109.066  2.2993     61.955   22.140  9.9012  17.109  7.5675  5.031204       12.46197 
1 1 1 -17 -39 19 o 35.825  5.9537  174.860    49.936   269.353    100.337  143.749    57.573   40.701  10.185  31.327  7.6421  9.374207       12.73295 
1 1 1 -17 -39 20 o 13.433  5.9810  -6.8978    39.333   38.914     87.088   -18.6374   44.086   21.678  9.2836  13.374  6.1063  8.303568       11.11180 
1 1 1 -17 -39 21 o 42.237  5.2788  235.980    52.918   213.669    102.271  244.138    61.839   35.535  10.859  42.334  6.2044  -6.798439      12.50630 
1 1 1 -17 -39 22 o 18.278  6.9660  38.095     42.865   -24.7174   89.235   56.936     48.873   18.618  8.5696  20.837  7.5315  -2.219444      11.40887 
1 1 1 -17 -39 23 o 18.877  7.0866  42.402     43.966   73.461     89.084   32.401     50.551   24.207  9.7888  18.390  7.3957  5.817648       12.26860 
1 1 1 -17 -39 24 f 21.685  7.3368  64.431     45.915   90.595     91.288   55.571     53.123   25.565  10.050  20.941  7.8037  4.623837       12.72398 
1 1 1 -17 -39 25 o 33.719  6.3576  156.292    50.108   362.283    95.674   78.431     58.821   50.067  8.1564  23.637  8.2922  26.42974       11.63127 
1 1 1 -17 -39 26 o 40.744  5.6515  221.396    54.367   256.430    100.285  206.814    64.700   40.005  10.277  38.313  7.2248  1.692657       12.56223 
1 1 1 -17 -39 27 o 26.833  7.1586  102.632    47.470   163.765    94.174   81.809     54.963   31.720  10.504  23.988  8.0277  7.731537       13.22064 
1 1 1 -17 -39 28 o 28.873  7.2561  119.090    50.774   64.324     98.689   138.805    59.212   24.145  10.088  30.836  7.8833  -6.691282      12.80257 
1 1 1 -17 -39 29 o 29.407  6.9787  122.222    49.048   202.958    95.150   93.005     57.239   35.344  10.399  25.314  8.1784  10.02973       13.22994 
1 1 1 -17 -39 30 o 52.943  5.0589  365.596    64.195   312.281    116.356  388.927    76.970   43.509  11.012  53.889  5.9877  -10.38052      12.53458 
1 1 1 -17 -39 31 o 37.189  6.0820  187.535    52.983   197.648    98.549   183.424    62.838   34.589  10.674  35.855  7.4654  -1.266399      13.02591 
1 1 1 -17 -39 32 o 15.774  6.7109  10.490     44.973   13.524     91.664   9.5284     51.611   20.742  9.1881  16.547  7.1180  4.195019       11.62274 
1 1 1 -17 -39 33 o 29.527  9.3182  135.039    74.640   35.959     138.442  175.641    88.624   24.612  11.070  32.992  10.113  -8.379642      14.99357 
1 1 1 -17 -39 34 o 32.004  9.3407  159.879    77.040   25.585     143.164  214.619    91.402   24.386  11.083  36.588  10.007  -12.20225      14.93263 
1 1 1 -17 -39 35 o 44.251  10.264  314.005    108.075  0.0000     0.0000   314.005    108.075  ?       ?       44.251  10.264  0.000000       10.26444 
1 1 1 -17 -39 36 o 17.098  7.3988  10.111     56.435   0.0000     0.0000   10.111     56.435   ?       ?       17.098  7.3988  0.000000       7.398827 
1 1 1 -17 -39 37 o 24.844  7.7478  90.051     51.765   273.738    100.328  23.412     60.429   41.182  10.114  18.483  7.8175  22.69937       12.78301 
1 1 1 -17 -39 38 o 20.397  9.2627  -1.3772    99.730   -1.3772    99.730   0.0000     0.0000   20.397  9.2627  ?       ?       0.000000       9.262700 
1 1 1 -17 -39 39 o 28.146  10.520  129.357    96.692   129.357    96.692   0.0000     0.0000   28.146  10.520  ?       ?       0.000000       10.52043 
1 1 1 -17 -39 40 o 34.261  11.124  208.462    105.797  208.462    105.797  0.0000     0.0000   34.261  11.124  ?       ?       0.000000       11.12359 
1 1 1 -17 -39 41 o 40.672  9.3993  262.744    90.898   -54.7728   171.031  387.736    107.308  22.672  10.863  49.967  9.1894  -27.29554      14.22849 
1 1 1 -17 -39 42 o 22.656  8.4147  72.841     61.666   12.807     166.598  82.372     66.380   24.127  11.308  23.683  8.7435  0.4436626      14.29391 
1 1 1 -17 -39 43 o 20.990  8.2500  56.145     61.506   103.270    156.055  47.478     66.923   26.695  11.898  20.558  8.4200  6.136780       14.57575 
1 1 1 -17 -39 44 o 14.820  6.2034  13.863     37.420   85.893     93.456   0.1108     40.836   24.335  9.9565  14.070  6.1870  10.26553       11.72224 
1 1 1 -17 -39 45 o 15.419  6.2865  20.334     37.093   -9.1429    96.524   25.442     40.178   19.281  8.8887  16.310  6.5815  2.970686       11.06009 
1 1 1 -17 -39 46 o 19.241  7.0281  49.786     42.720   173.325    111.273  28.430     46.265   29.997  11.271  17.167  7.0125  12.82964       13.27476 
1 1 1 -17 -39 47 o 32.209  6.4168  148.680    48.388   198.251    117.213  138.496    53.127   31.289  11.605  30.367  7.3002  0.9217415      13.71036 
1 1 1 -17 -39 48 o 17.876  6.8530  39.668     41.640   85.899     112.988  32.402     44.793   24.181  10.466  17.329  6.9645  6.851267       12.57183 
1 1 1 -17 -39 49 o 15.512  6.4345  19.599     39.747   13.865     113.219  20.405     42.449   20.838  9.6136  15.889  6.6251  4.949045       11.67538 
1 1 1 -17 -39 50 o 35.121  7.8718  191.661    65.422   0.0000     0.0000   191.661    65.422   ?       ?       35.121  7.8718  0.000000       7.871845 
1 1 1 -17 -39 51 o 13.461  6.2824  -27.6237   50.538   0.0000     0.0000   -27.6237   50.538   ?       ?       13.461  6.2824  0.000000       6.282401 
1 1 1 -17 -39 52 o 28.862  8.0592  133.353    58.602   277.536    126.582  94.020     66.114   35.595  12.181  24.024  8.7481  11.57014       14.99704 
1 1 1 -17 -39 53 o 14.430  6.6636  -19.6115   54.589   -142.2308  98.013   35.528     65.726   14.907  7.3701  19.031  8.1052  -4.123275      10.95502 
1 1 1 -17 -39 54 o 17.408  7.5473  19.909     58.946   -52.4524   104.586  53.595     71.359   17.869  8.5439  20.668  8.6014  -2.799042      12.12368 
1 1 1 -17 -39 55 o 19.559  7.6072  50.847     51.857   31.668     98.152   58.274     61.078   20.747  9.3269  20.648  8.1875  0.9883499E-01  12.41070 
1 1 1 -17 -39 56 o 27.140  7.9387  117.020    55.594   230.569    107.279  75.332     65.003   33.983  11.209  22.286  8.5579  11.69740       14.10282 
1 1 1 -17 -39 57 o 13.646  6.2666  -16.4376   47.339   84.626     95.097   -49.7322   54.583   23.440  9.8545  12.941  6.1834  10.49901       11.63380 
1 1 1 -17 -39 58 o 34.779  10.737  234.012    99.698   489.643    244.084  182.823    109.225  35.525  15.380  29.668  11.163  5.856661       19.00439 
1 1 1 -17 -39 59 o 17.344  8.0626  -13.3638   81.919   -325.0393  226.525  33.529     87.866   19.280  9.7541  19.977  8.9137  -0.6966839     13.21354 
1 1 1 -17 -39 60 o 32.988  10.731  221.439    98.438   422.980    234.418  178.291    108.465  32.259  14.465  28.624  11.038  3.635138       18.19531 
1 1 1 -17 -38 1  o 9.4168  4.5476  -42.1587   31.403   -135.2005  71.791   -20.1447   34.921   12.377  6.1519  11.424  5.2944  0.9537296      8.116383 
1 1 1 -17 -38 2  o 22.497  6.7813  75.544     40.084   104.426    83.555   66.909     45.684   24.771  9.6501  21.192  7.3149  3.579035       12.10916 
1 1 1 -17 -38 3  o 24.887  8.5663  101.234    62.631   64.428     93.892   130.740    84.068   22.257  9.5875  26.990  9.8590  -4.732607      13.75213 
1 1 1 -17 -38 4  o 18.562  8.3321  12.628     78.009   39.095     215.521  8.6377     83.683   24.636  11.901  18.775  8.5100  5.861206       14.63081 
1 1 1 -17 -38 5  f 22.965  9.4243  77.406     84.049   94.358     219.424  74.491     90.989   26.034  12.428  22.947  9.6428  3.087889       15.73018 
1 1 1 -17 -38 6  o 20.880  8.8285  49.428     77.028   -115.7148  251.916  66.461     80.903   23.329  11.583  22.219  9.1954  1.110243       14.78936 
1 1 1 -17 -38 7  o 18.055  6.9565  39.657     43.051   -189.2345  242.709  47.092     43.745   22.325  11.131  18.952  7.0778  3.373055       13.19045 
1 1 1 -17 -38 8  o 41.920  5.2472  236.620    52.203   260.383    112.394  230.084    58.947   37.153  11.389  40.591  6.1800  -3.438740      12.95737 
1 1 1 -17 -38 9  o 11.960  5.1640  1.7376     27.369   2.2676     77.442   1.6619     29.257   18.367  8.2683  12.306  5.3262  6.061070       9.835280 
1 1 1 -17 -38 10 o 32.676  5.2217  143.751    40.006   162.064    95.700   139.873    44.039   30.375  10.581  31.788  5.9277  -1.413317      12.12854 
1 1 1 -17 -38 11 o 13.471  5.6566  8.9968     31.274   78.216     83.336   -2.3498    33.740   23.792  9.5215  12.774  5.6205  11.01795       11.05663 
1 1 1 -17 -38 12 o 17.585  6.7000  35.688     39.648   24.128     86.270   38.783     44.641   20.529  9.0110  18.344  7.0793  2.185230       11.45924 
1 1 1 -17 -38 13 o 25.093  7.1199  91.006     45.359   134.688    98.854   79.357     51.050   28.560  10.645  23.427  7.7329  5.132896       13.15715 
1 1 1 -17 -38 14 f 22.705  7.0226  73.091     42.628   197.003    88.686   35.862     48.612   34.770  9.9857  18.459  7.3091  16.31112       12.37491 
1 1 1 -17 -38 15 o 24.074  7.8659  83.650     52.872   129.747    88.768   58.305     65.821   28.533  10.169  21.803  8.5453  6.730244       13.28271 
1 1 1 -17 -38 16 o 26.506  8.2463  103.954    58.680   59.951     113.150  120.142    68.630   24.445  10.527  28.084  8.9429  -3.638605      13.81319 
1 1 1 -17 -38 17 o 34.081  8.0050  169.892    65.069   -52.6436   126.921  249.236    75.787   20.765  9.7756  41.684  7.7792  -20.91882      12.49313 
1 1 1 -17 -38 18 o 18.323  7.6290  24.746     56.173   217.896    110.992  -41.7613   65.130   35.761  11.371  15.240  7.1193  20.52080       13.41609 
1 1 1 -17 -38 19 o 14.117  6.5245  -29.5267   52.487   14.338     102.459  -45.1332   61.115   21.724  9.6642  14.562  6.8325  7.161473       11.83553 
1 1 1 -17 -38 20 o 27.286  7.3213  106.019    49.480   214.738    126.998  86.562     53.725   34.982  12.189  24.659  7.9188  10.32354       14.53563 
1 1 1 -17 -38 21 o 29.490  6.6481  120.662    46.434   59.559     92.476   141.260    53.693   23.725  9.8259  31.681  7.1540  -7.955797      12.15436 
1 1 1 -17 -38 22 o 18.431  6.9721  38.282     42.738   -26.2450   88.292   58.027     48.841   18.698  8.5760  21.154  7.5426  -2.455532      11.42095 
1 1 1 -17 -38 23 o 19.035  7.0804  42.659     43.692   46.073     87.644   41.529     50.402   22.614  9.4815  19.447  7.5174  3.167372       12.10002 
1 1 1 -17 -38 24 o 70.818  4.2649  636.742    72.943   702.496    127.032  604.396    89.096   71.294  7.4536  68.054  5.4411  3.239388       9.228339 
1 1 1 -17 -38 25 o 14.616  6.3357  1.5983     41.525   -78.5900   86.431   25.662     47.348   16.437  7.8338  17.582  7.1271  -1.144960      10.59074 
1 1 1 -17 -38 26 o 15.280  6.5347  6.6092     43.045   172.337    89.276   -43.5881   49.134   33.192  10.146  12.888  6.0718  20.30410       11.82400 
1 1 1 -17 -38 27 o 24.221  7.2907  82.044     46.356   59.002     91.019   90.114     53.866   23.736  9.7818  25.210  7.9102  -1.473209      12.57998 
1 1 1 -17 -38 28 o 16.009  6.6472  15.412     42.479   -39.5328   87.385   32.414     48.609   18.078  8.3772  18.388  7.3001  -0.3102646     11.11165 
1 1 1 -17 -38 29 f 18.720  7.1729  38.300     45.602   78.741     87.982   23.445     53.324   24.984  9.8520  18.046  7.4665  6.938362       12.36169 
1 1 1 -17 -38 30 o 19.021  7.1574  41.545     44.900   97.555     86.201   20.691     52.599   26.398  9.9203  17.725  7.3815  8.672722       12.36523 
1 1 1 -17 -38 31 o 70.951  4.4145  641.001    75.621   651.497    131.960  635.868    92.276   67.843  8.1814  69.774  5.4949  -1.931267      9.855396 
1 1 1 -17 -38 32 o 16.827  6.9158  20.313     45.345   -15.5471   91.849   31.870     52.143   19.564  8.8863  18.662  7.5092  0.9012642      11.63420 
1 1 1 -17 -38 33 o 17.402  6.9582  27.254     44.465   -89.5960   93.126   61.759     50.606   16.767  8.0292  21.681  7.6832  -4.913349      11.11306 
1 1 1 -17 -38 34 f 26.025  9.1782  97.506     72.132   -33.8297   134.862  150.132    85.369   22.208  10.331  31.042  9.9835  -8.833950      14.36636 
1 1 1 -17 -38 35 o 31.518  9.2531  151.423    75.405   327.284    144.439  85.539     88.408   42.565  12.882  25.358  9.9132  17.20738       16.25497 
1 1 1 -17 -38 36 o 26.391  9.1852  102.064    72.104   203.614    141.708  66.587     83.758   33.731  12.711  23.685  9.5218  10.04606       15.88179 
1 1 1 -17 -38 37 o 28.488  11.833  117.045    134.694  117.045    134.694  0.0000     0.0000   28.488  11.833  ?       ?       0.000000       11.83336 
1 1 1 -17 -38 38 o 33.324  10.641  182.639    97.115   182.639    97.115   0.0000     0.0000   33.324  10.641  ?       ?       0.000000       10.64099 
1 1 1 -17 -38 39 o 16.022  7.2070  -10.8605   58.697   -66.4384   88.670   32.492     78.312   16.925  8.0281  20.782  8.8490  -3.856745      11.94803 
1 1 1 -17 -38 40 o 17.965  7.2189  30.707     48.117   -17.3953   90.963   49.395     56.699   19.088  8.7365  20.474  7.9567  -1.385181      11.81680 
1 1 1 -17 -38 41 o 24.955  7.0392  89.161     44.471   55.824     94.271   98.703     50.436   23.133  9.7731  26.021  7.5472  -2.887911      12.34796 
1 1 1 -17 -38 42 o 23.439  8.3867  78.354     60.435   15.825     155.480  89.482     65.592   24.276  11.223  24.662  8.7464  -0.3857346     14.22871 
1 1 1 -17 -38 43 o 17.631  7.3382  24.272     51.945   -51.8783   152.341  34.291     55.256   21.964  10.449  18.813  7.6717  3.151522       12.96275 
1 1 1 -17 -38 44 o 16.908  7.1877  16.773     51.509   -73.1996   155.915  27.796     54.573   21.482  10.314  18.137  7.5329  3.344971       12.77184 
1 1 1 -17 -38 45 o 28.719  6.9049  119.231    47.524   182.988    112.289  105.319    52.454   31.502  11.411  26.513  7.6986  4.988297       13.76549 
1 1 1 -17 -38 46 o 21.552  7.0881  66.462     42.906   -45.1525   109.641  86.646     46.625   19.079  9.0132  24.224  7.3163  -5.145456      11.60886 
1 1 1 -17 -38 47 o 39.916  5.8723  219.300    55.175   242.465    123.531  213.527    61.667   34.874  12.029  38.606  6.8332  -3.732147      13.83441 
1 1 1 -17 -38 48 o 12.085  5.6395  -27.3910   40.702   0.0000     0.0000   -27.3910   40.702   ?       ?       12.085  5.6395  0.000000       5.639481 
1 1 1 -17 -38 49 o 15.254  6.5679  10.172     44.020   0.0000     0.0000   10.172     44.020   ?       ?       15.254  6.5679  0.000000       6.567862 
1 1 1 -17 -38 50 o 19.602  7.8508  47.070     56.708   0.0000     0.0000   47.070     56.708   ?       ?       19.602  7.8508  0.000000       7.850842 
1 1 1 -17 -38 51 o 12.460  5.9160  -42.1428   48.382   -106.5312  112.244  -27.4501   53.618   17.090  8.3330  13.961  6.5008  3.129062       10.56882 
1 1 1 -17 -38 52 o 17.196  7.1482  27.123     49.200   51.022     93.367   17.936     57.890   21.649  9.4413  17.264  7.4821  4.384869       12.04664 
1 1 1 -17 -38 53 o 19.408  7.8836  45.012     58.064   67.970     93.486   30.594     74.087   22.605  9.6479  19.377  8.4312  3.228016       12.81283 
1 1 1 -17 -38 54 o 24.919  8.8368  101.379    66.954   7.6340     118.656  145.170    81.098   20.925  9.7192  28.644  9.7504  -7.719435      13.76710 
1 1 1 -17 -38 55 o 19.850  8.2228  45.348     64.781   80.218     125.954  32.807     75.538   24.152  10.731  19.638  8.5290  4.513630       13.70768 
1 1 1 -17 -38 56 o 34.460  7.6449  180.999    62.250   143.436    129.086  192.381    71.059   27.302  11.480  34.674  8.5095  -7.371872      14.28980 
1 1 1 -17 -38 57 o 20.948  7.9009  62.517     54.780   -97.1036   119.365  105.106    61.657   17.831  8.6720  25.507  8.5021  -7.675407      12.14446 
1 1 1 -17 -38 58 o 17.324  8.0960  -25.0000   84.362   173.872    222.464  -58.4020   91.172   27.754  13.026  16.673  7.9735  11.08070       15.27297 
1 1 1 -17 -38 59 o 23.489  9.9574  84.440     98.396   83.729     252.470  84.568     106.845  25.694  12.522  23.654  10.208  2.039339       16.15551 
1 1 1 -17 -38 60 f 38.096  10.999  283.711    107.337  665.988    284.082  220.048    115.930  37.707  16.456  31.781  11.582  5.925589       20.12340 
1 1 1 -17 -38 61 o 26.772  10.462  144.157    98.441   286.007    275.805  123.448    105.382  27.898  13.474  25.220  10.471  2.677410       17.06386 
1 1 1 -17 -37 1  o 14.091  5.9706  10.748     35.349   12.201     73.940   10.317     40.246   18.290  8.1679  14.715  6.3065  3.575494       10.31925 
1 1 1 -17 -37 2  o 39.435  5.1371  210.350    47.988   216.591    93.833   208.140    55.843   34.545  10.367  38.360  6.2120  -3.815723      12.08572 
1 1 1 -17 -37 3  o 23.533  6.7358  81.525     40.415   153.721    84.283   59.968     46.055   29.491  9.9405  20.525  7.3236  8.966148       12.34700 
1 1 1 -17 -37 4  o 22.955  8.4697  79.154     62.271   12.884     85.380   154.467    91.018   19.383  8.7078  29.362  10.314  -9.979029      13.49839 
1 1 1 -17 -37 5  o 25.736  8.3641  103.563    59.811   169.719    84.248   36.337     84.927   31.406  9.8986  20.750  9.0279  10.65526       13.39720 
1 1 1 -17 -37 6  o 85.035  7.2600  1038.43    148.360  1429.41    319.742  931.159    167.480  75.030  17.827  77.244  9.1112  -2.213890      20.02015 
1 1 1 -17 -37 7  o 16.870  7.5965  -5.3625    65.424   -86.4773   204.464  3.8900     69.055   23.249  11.317  17.784  7.9211  5.465338       13.81336 
1 1 1 -17 -37 8  o 14.588  6.7588  -28.5466   56.838   126.279    160.140  -50.8611   60.796   28.102  12.307  14.044  6.6576  14.05758       13.99264 
1 1 1 -17 -37 9  o 11.183  5.0730  -12.4920   29.811   143.422    214.603  -15.5597   30.103   29.564  13.488  10.996  5.0303  18.56797       14.39570 
1 1 1 -17 -37 10 o 31.364  5.4033  132.212    39.636   221.970    91.822   111.656    43.941   36.961  9.9972  28.151  6.5552  8.809889       11.95470 
1 1 1 -17 -37 11 o 31.559  5.4304  133.599    40.084   208.106    92.635   116.435    44.461   35.709  10.190  28.843  6.5077  6.866478       12.09059 
1 1 1 -17 -37 12 o 44.796  4.6288  259.818    49.587   371.100    114.012  233.857    55.068   48.701  9.9836  41.915  5.5511  6.785252       11.42310 
1 1 1 -17 -37 13 o 44.337  4.8297  255.454    51.118   277.317    98.449   247.384    59.813   42.213  9.8001  42.954  5.8943  -0.7410164     11.43612 
1 1 1 -17 -37 14 o 18.906  6.8427  44.098     40.362   91.445     87.162   31.173     45.539   25.700  9.8994  17.866  7.0743  7.834354       12.16730 
1 1 1 -17 -37 15 f 27.668  6.7219  106.746    44.682   245.815    94.436   66.633     50.718   39.870  9.8251  22.226  7.7053  17.64387       12.48617 
1 1 1 -17 -37 16 o 12.173  5.5770  -20.0933   37.190   -27.5135   80.677   -18.0910   41.908   17.870  8.1969  13.164  5.9882  4.706582       10.15129 
1 1 1 -17 -37 17 o 50.132  6.4663  338.463    76.823   329.070    138.992  342.595    92.184   43.603  12.495  49.227  7.9918  -5.623878      14.83203 
1 1 1 -17 -37 18 o 42.512  6.9296  247.480    69.017   266.151    126.595  239.583    82.328   39.589  12.078  40.590  8.6252  -1.001034      14.84145 
1 1 1 -17 -37 19 o 29.396  8.3395  125.420    62.235   164.794    122.810  111.814    72.191   32.010  11.878  27.670  9.1986  4.339758       15.02322 
1 1 1 -17 -37 20 o 39.487  7.5010  217.409    69.240   275.404    128.403  193.630    82.218   40.437  12.125  35.959  9.3395  4.477470       15.30536 
1 1 1 -17 -37 21 o 56.042  6.2681  417.480    83.775   429.390    149.389  412.016    101.182  51.028  12.226  54.342  7.9054  -3.314899      14.55913 
1 1 1 -17 -37 22 o 54.634  4.5556  380.637    59.840   434.414    108.981  357.425    71.599   55.448  8.3600  52.195  5.7488  3.252800       10.14589 
1 1 1 -17 -37 23 o 81.316  4.1213  833.346    81.051   750.165    136.261  878.890    100.827  73.799  7.7240  82.752  5.0456  -8.953453      9.225924 
1 1 1 -17 -37 24 o 46.967  4.8993  283.838    55.011   293.126    103.129  280.144    65.036   44.194  9.8671  46.047  5.9607  -1.853565      11.52777 
1 1 1 -17 -37 25 o 42.253  5.3732  232.773    53.842   175.826    100.893  255.448    63.665   33.493  10.862  43.837  6.1551  -10.34406      12.48463 
1 1 1 -17 -37 26 o 37.666  5.8040  187.654    51.342   245.162    96.205   164.753    60.709   40.290  9.9095  34.341  7.4962  5.949154       12.42539 
1 1 1 -17 -37 27 o 50.800  6.4630  344.539    77.860   437.368    177.473  322.414    86.644   49.210  14.124  48.276  7.6520  0.9342918      16.06354 
1 1 1 -17 -37 28 o 26.504  7.3181  98.070     48.611   91.577     93.816   100.453    56.836   26.483  10.251  26.639  8.0851  -0.1562099     13.05561 
1 1 1 -17 -37 29 o 47.371  5.0843  289.822    57.526   327.203    105.704  274.092    68.570   47.055  9.5837  45.268  6.4230  1.787239       11.53697 
1 1 1 -17 -37 30 o 45.163  5.3152  265.179    57.131   404.192    105.581  207.623    67.937   53.475  8.4153  38.642  7.5163  14.83286       11.28324 
1 1 1 -17 -37 31 o 83.548  4.2581  881.656    86.036   901.133    146.143  871.325    106.435  81.217  7.5007  82.110  5.3719  -0.8922958     9.225893 
1 1 1 -17 -37 32 o 57.499  4.6780  422.332    64.700   519.934    117.373  379.730    77.546   60.957  8.1389  53.602  6.0692  7.355064       10.15270 
1 1 1 -17 -37 33 o 60.856  4.7272  473.508    69.256   502.080    121.371  459.713    84.333   59.327  8.6889  59.085  5.9640  0.2419930      10.53878 
1 1 1 -17 -37 34 o 46.390  5.5166  281.582    60.878   271.168    111.151  286.046    72.763   41.378  10.914  45.991  6.7185  -4.613556      12.81601 
1 1 1 -17 -37 35 o 18.806  8.0104  17.439     64.210   87.436     130.140  -5.0836    73.821   27.430  11.530  18.396  8.1922  9.034187       14.14392 
1 1 1 -17 -37 36 o 35.805  12.876  224.734    142.634  224.734    142.634  0.0000     0.0000   35.805  12.876  ?       ?       0.000000       12.87646 
1 1 1 -17 -37 37 o 37.565  13.437  259.084    155.129  259.084    155.129  0.0000     0.0000   37.565  13.437  ?       ?       0.000000       13.43712 
1 1 1 -17 -37 38 o 22.320  7.7298  66.821     51.034   155.054    99.377   35.216     59.476   31.276  10.789  19.658  7.9811  11.61795       13.42017 
1 1 1 -17 -37 39 o 24.408  7.1628  83.635     45.193   -8.6516    92.109   112.896    51.865   19.881  8.9773  28.138  7.4713  -8.256575      11.67956 
1 1 1 -17 -37 40 o 29.552  6.5188  120.790    45.488   -30.9832   94.451   166.622    51.903   19.031  8.7801  34.940  6.3564  -15.90936      10.83944 
1 1 1 -17 -37 41 o 54.207  4.8183  380.217    62.713   696.898    124.549  272.657    72.586   70.783  7.3595  44.369  6.9722  26.41331       10.13775 
1 1 1 -17 -37 42 o 47.467  5.0097  294.153    56.828   375.969    118.838  269.898    64.706   48.665  10.381  44.694  6.1279  3.970829       12.05452 
1 1 1 -17 -37 43 o 32.846  8.4878  162.218    68.132   236.053    181.525  150.111    73.506   34.041  13.896  31.125  9.1354  2.916594       16.62992 
1 1 1 -17 -37 44 o 26.931  8.6887  109.836    64.622   352.713    167.898  67.600     70.015   41.044  14.029  22.788  8.8458  18.25571       16.58510 
1 1 1 -17 -37 45 o 28.189  8.4420  120.951    62.269   -8.4738    167.748  141.635    67.061   24.046  11.294  30.328  8.6753  -6.282701      14.24150 
1 1 1 -17 -37 46 o 21.068  7.3090  61.300     45.639   136.179    110.329  45.842     50.129   28.465  11.089  19.507  7.5091  8.958824       13.39234 
1 1 1 -17 -37 47 o 20.596  7.4380  57.417     47.653   0.0000     0.0000   57.417     47.653   ?       ?       20.596  7.4380  0.000000       7.438049 
1 1 1 -17 -37 48 o 27.422  7.6070  112.673    52.390   0.0000     0.0000   112.673    52.390   ?       ?       27.422  7.6070  0.000000       7.606998 
1 1 1 -17 -37 49 o 33.108  7.2298  160.850    56.453   0.0000     0.0000   160.850    56.453   ?       ?       33.108  7.2298  0.000000       7.229777 
1 1 1 -17 -37 50 o 12.651  5.8036  -17.9468   40.462   83.312     112.757  -32.9127   43.349   24.509  10.532  12.217  5.7395  12.29188       11.99402 
1 1 1 -17 -37 51 o 24.328  8.7123  92.612     65.233   232.516    108.320  12.999     81.711   34.940  11.247  19.130  8.5617  15.80909       14.13468 
1 1 1 -17 -37 52 o 24.649  8.1018  94.560     56.060   59.564     113.586  105.830    64.458   23.113  10.234  25.658  8.6929  -2.545616      13.42743 
1 1 1 -17 -37 53 o 13.163  6.0207  -15.7945   43.099   -87.0054   97.825   1.3567     48.009   16.502  7.9835  15.049  6.6589  1.452680       10.39600 
1 1 1 -17 -37 54 o 23.184  8.8446  81.760     69.147   153.657    136.532  56.957     80.192   27.967  11.785  21.575  9.0589  6.391615       14.86466 
1 1 1 -17 -37 55 o 22.998  8.7650  79.748     67.865   -7.6884    135.678  108.923    78.374   21.455  10.102  25.615  9.4919  -4.160156      13.86194 
1 1 1 -17 -37 56 o 10.215  4.9161  -45.0967   35.935   -97.4039   97.594   -36.8925   38.651   16.204  7.8713  11.152  5.2929  5.051785       9.485368 
1 1 1 -17 -37 57 o 13.818  6.3309  -17.0080   47.936   -46.1780   110.279  -10.2125   53.227   18.777  8.9201  14.951  6.7809  3.825718       11.20486 
1 1 1 -17 -37 58 o 18.153  7.3809  35.271     50.955   -52.8843   114.568  57.009     56.892   18.825  8.9847  20.562  7.9761  -1.737328      12.01425 
1 1 1 -17 -37 59 o 18.057  8.3327  -11.2105   85.148   -130.1068  225.057  8.6514     91.986   22.256  11.033  19.466  8.8617  2.789434       14.15090 
1 1 1 -17 -37 60 o 18.324  8.4421  -5.5448    86.864   61.970     231.214  -16.6398   93.730   25.259  12.233  18.372  8.5684  6.886425       14.93565 
1 1 1 -17 -37 61 o 22.482  9.7546  69.889     98.611   -346.2484  267.079  135.572    106.108  20.569  10.426  26.457  10.689  -5.887920      14.93121 
1 1 1 -17 -36 1  o 40.508  5.1119  220.497    49.126   193.869    94.198   230.446    57.576   32.751  10.482  40.706  6.0101  -7.954884      12.08300 
1 1 1 -17 -36 2  o 20.740  6.8098  61.301     39.610   -28.3374   80.776   89.679     45.449   17.138  7.9800  24.575  7.1749  -7.436890      10.73123 
1 1 1 -17 -36 3  o 19.201  6.7643  49.729     39.170   89.734     79.156   36.757     45.075   24.379  9.4216  18.017  7.0685  6.362354       11.77843 
1 1 1 -17 -36 4  o 29.780  6.2757  124.713    43.918   111.969    85.824   129.234    51.117   26.424  9.9047  29.734  7.1689  -3.309824      12.22688 
1 1 1 -17 -36 5  o 20.015  6.8646  54.631     40.202   153.397    83.282   24.624     45.904   30.440  9.8681  16.993  6.9681  13.44726       12.08037 
1 1 1 -17 -36 6  o 20.652  7.9609  52.979     56.403   -16.6204   82.358   114.459    77.405   18.158  8.3116  27.026  9.5103  -8.867342      12.63046 
1 1 1 -17 -36 7  o 18.214  7.8980  14.082     64.569   0.0000     0.0000   14.082     64.569   ?       ?       18.214  7.8980  0.000000       7.898036 
1 1 1 -17 -36 8  f 16.887  7.2458  11.923     53.233   39.652     161.960  8.5647     56.364   25.646  11.707  17.002  7.3759  8.643972       13.83707 
1 1 1 -17 -36 9  o 42.438  8.0442  260.686    79.801   159.416    225.997  275.112    85.296   31.288  14.101  43.291  8.4234  -12.00253      16.42552 
1 1 1 -17 -36 10 o 45.541  8.5048  302.994    90.523   673.855    233.052  237.099    98.237   55.986  16.219  38.524  10.307  17.46201       19.21709 
1 1 1 -17 -36 11 o 27.709  5.8438  104.028    38.053   117.480    88.515   100.979    42.146   27.976  10.132  26.995  6.5101  0.9814053      12.04325 
1 1 1 -17 -36 12 o 9.1539  4.3123  -24.8489   24.776   -142.3151  74.366   -10.1826   26.277   13.013  6.4309  10.711  4.8195  2.302194       8.036436 
1 1 1 -17 -36 13 o 29.424  5.6412  115.712    38.809   171.656    85.643   101.256    43.536   33.380  9.8787  27.047  6.6747  6.333044       11.92226 
1 1 1 -17 -36 14 o 30.443  5.4190  122.670    38.562   23.817     86.291   147.337    43.105   21.288  9.1807  33.382  5.5143  -12.09386      10.70946 
1 1 1 -17 -36 15 o 18.603  6.6321  42.053     37.761   39.835     65.044   43.181     46.376   20.659  8.3608  19.415  7.2802  1.244417       11.08624 
1 1 1 -17 -36 16 o 13.653  6.0072  -4.7930    38.546   23.816     81.946   -12.9217   43.680   21.012  9.0020  13.898  6.2371  7.113539       10.95161 
1 1 1 -17 -36 17 o 52.116  4.6066  346.383    57.653   293.729    105.757  368.648    68.769   44.118  10.098  53.310  5.3906  -9.191650      11.44639 
1 1 1 -17 -36 18 o 47.353  5.8864  294.763    66.175   222.513    101.947  347.370    86.992   37.866  10.650  50.461  7.3185  -12.59473      12.92200 
1 1 1 -17 -36 19 o 30.819  8.3748  136.175    64.261   269.159    126.175  89.601     74.670   40.604  11.983  25.766  9.3099  14.83815       15.17483 
1 1 1 -17 -36 20 f 41.177  7.3404  232.468    70.650   178.170    130.136  255.159    84.127   33.510  12.262  42.412  8.4713  -8.902405      14.90410 
1 1 1 -17 -36 21 o 35.311  8.1224  176.276    68.142   139.136    127.989  190.968    80.500   30.917  11.972  36.137  9.1666  -5.220022      15.07791 
1 1 1 -17 -36 22 o 47.825  6.9168  307.789    77.933   379.084    142.721  277.500    93.026   48.517  12.150  43.908  9.0330  4.609467       15.14009 
1 1 1 -17 -36 23 o 20.937  7.2017  55.978     44.263   12.803     86.401   71.341     51.540   20.905  9.1005  23.153  7.7735  -2.247990      11.96858 
1 1 1 -17 -36 24 o 18.987  7.0664  40.548     43.531   90.845     87.582   24.047     50.166   26.424  9.9844  17.947  7.3133  8.477140       12.37628 
1 1 1 -17 -36 25 o 55.412  4.6204  390.177    61.556   452.388    108.008  360.249    74.914   57.296  7.9863  52.435  5.9959  4.860523       9.986553 
1 1 1 -17 -36 26 o 28.853  6.8134  113.835    46.938   174.103    91.500   92.312     54.681   33.975  10.247  25.797  7.9496  8.177729       12.96881 
1 1 1 -17 -36 27 o 42.715  5.3908  236.718    54.628   159.744    100.601  268.906    65.055   32.447  10.861  45.178  6.0896  -12.73168      12.45136 
1 1 1 -17 -36 28 o 49.118  4.8967  308.768    57.581   335.377    104.099  297.037    69.117   48.284  9.2217  47.480  6.1435  0.8046494      11.08073 
1 1 1 -17 -36 29 o 28.482  7.2717  112.316    50.428   109.301    95.750   113.473    59.322   28.181  10.482  28.342  8.1749  -0.1611671     13.29270 
1 1 1 -17 -36 30 o 24.041  7.4082  78.876     47.488   50.940     92.080   88.999     55.428   23.736  9.8156  25.382  8.0320  -1.645407      12.68301 
1 1 1 -17 -36 31 o 51.058  5.0143  334.416    61.319   304.150    110.193  347.991    73.801   44.985  10.315  51.496  6.0200  -6.510792      11.94342 
1 1 1 -17 -36 32 f 29.339  7.2371  119.199    51.200   137.710    98.128   112.274    60.018   30.498  10.710  28.153  8.2524  2.345121       13.52023 
1 1 1 -17 -36 33 o 44.905  5.4411  262.000    58.075   284.126    105.178  252.296    69.656   43.512  10.148  43.243  6.8683  0.2684402      12.25415 
1 1 1 -17 -36 34 o 37.803  8.0906  201.425    71.969   315.174    106.949  107.285    97.295   46.119  9.8562  27.952  10.533  18.16719       14.42490 
1 1 1 -17 -36 35 o 50.332  9.7728  373.295    115.049  373.295    115.049  0.0000     0.0000   50.332  9.7728  ?       ?       0.000000       9.772828 
1 1 1 -17 -36 36 o 54.257  12.800  488.363    165.784  488.363    165.784  0.0000     0.0000   54.257  12.800  ?       ?       0.000000       12.79994 
1 1 1 -17 -36 37 o 25.354  8.9976  87.727     69.424   -29.6801   137.211  128.126    80.487   22.959  10.589  29.455  9.7090  -6.496515      14.36634 
1 1 1 -17 -36 38 o 23.220  8.1077  71.762     56.201   66.975     129.936  72.864     62.334   26.522  11.348  23.571  8.5078  2.951210       14.18338 
1 1 1 -17 -36 39 o 30.948  6.4682  130.583    47.006   119.244    106.058  133.355    52.438   28.740  10.956  30.950  7.1295  -2.210199      13.07174 
1 1 1 -17 -36 40 o 22.803  7.0847  71.333     43.329   151.444    109.185  56.359     47.206   31.071  11.253  20.968  7.4217  10.10312       13.48008 
1 1 1 -17 -36 41 o 14.262  6.0661  6.0266     36.726   -65.0466   97.162   17.874     39.669   18.084  8.5254  15.881  6.4910  2.202883       10.71521 
1 1 1 -17 -36 42 o 22.880  7.0483  72.499     42.989   -67.4613   103.010  102.017    47.306   18.507  8.7410  26.896  7.1323  -8.389536      11.28159 
1 1 1 -17 -36 43 o 47.284  6.3204  301.920    70.700   327.966    120.042  288.088    87.482   44.826  11.096  44.529  8.4049  0.2969894      13.91996 
1 1 1 -17 -36 44 o 53.806  6.7980  397.273    86.771   430.512    193.948  388.955    97.022   44.920  15.080  52.225  7.9036  -7.304909      17.02527 
1 1 1 -17 -36 45 o 16.211  7.0975  2.5379     53.224   23.629     162.368  -0.0012    56.337   25.234  11.595  16.423  7.2427  8.811243       13.67077 
1 1 1 -17 -36 46 o 24.022  7.5707  83.036     49.282   0.0000     0.0000   83.036     49.282   ?       ?       24.022  7.5707  0.000000       7.570700 
1 1 1 -17 -36 47 o 30.444  7.5121  135.343    55.152   0.0000     0.0000   135.343    55.152   ?       ?       30.444  7.5121  0.000000       7.512134 
1 1 1 -17 -36 48 o 17.857  7.1111  32.698     46.255   0.0000     0.0000   32.698     46.255   ?       ?       17.857  7.1111  0.000000       7.111116 
1 1 1 -17 -36 49 o 16.194  6.7262  19.211     43.511   117.763    114.088  2.4362     47.069   27.093  11.033  15.217  6.6681  11.87667       12.89166 
1 1 1 -17 -36 50 o 31.985  6.5920  145.447    49.459   204.318    98.588   125.647    57.175   33.976  10.708  28.750  7.9359  5.226282       13.32803 
1 1 1 -17 -36 51 o 25.535  8.4443  101.268    60.866   148.634    93.434   66.351     80.222   29.134  10.428  22.574  9.2290  6.559523       13.92509 
1 1 1 -17 -36 52 o 36.267  7.1570  192.084    60.745   201.303    118.462  188.796    70.755   31.992  11.701  34.741  8.4701  -2.748621      14.44474 
1 1 1 -17 -36 53 o 14.327  6.5248  -14.0264   49.931   136.563    105.772  -57.2064   56.639   27.652  10.834  13.061  6.2564  14.59018       12.51068 
1 1 1 -17 -36 54 o 24.495  8.8351  94.101     67.205   210.162    116.380  36.035     82.317   32.564  11.640  20.501  8.9037  12.06246       14.65453 
1 1 1 -17 -36 55 o 24.142  8.9937  90.471     70.549   202.027    138.743  51.569     81.931   30.929  12.316  21.447  9.0886  9.482380       15.30640 
1 1 1 -17 -36 56 f 15.377  7.0677  -19.0088   60.398   57.990     125.976  -41.9910   68.824   23.643  10.602  15.258  7.1876  8.385489       12.80911 
1 1 1 -17 -36 57 o 37.765  7.4672  211.287    66.000   282.781    134.262  188.506    75.789   36.742  12.545  34.100  9.0206  2.641624       15.45185 
1 1 1 -17 -36 58 o 23.826  8.1774  86.704     57.053   51.334     124.343  96.137     64.212   23.324  10.491  24.762  8.6651  -1.438480      13.60645 
1 1 1 -17 -36 59 o 16.776  7.9190  -43.6110   84.328   -246.0585  252.893  -18.2848   89.447   22.004  11.029  18.252  8.4640  3.752644       13.90246 
1 1 1 -17 -36 60 o 28.485  10.659  150.631    99.299   230.794    271.030  138.202    106.720  29.337  13.951  27.394  10.835  1.943228       17.66430 
1 1 1 -17 -36 61 o 17.960  8.3547  -17.1245   88.204   -50.1396   263.899  -12.9725   93.586   24.114  11.952  18.540  8.6183  5.573318       14.73546 
1 1 1 -17 -35 1  o 20.508  6.6657  58.995     37.986   10.119     76.631   74.918     43.738   18.816  8.3649  22.726  7.1274  -3.909954      10.98962 
1 1 1 -17 -35 2  o 27.198  6.3798  104.561    41.375   102.782    83.339   105.144    47.664   25.785  9.7403  26.825  7.1806  -1.040270      12.10105 
1 1 1 -17 -35 3  o 25.128  6.7640  90.283     42.153   128.402    81.680   76.445     49.213   28.247  9.7792  23.047  7.5917  5.200640       12.38009 
1 1 1 -17 -35 4  o 23.995  6.7869  81.802     41.283   116.727    81.413   69.714     47.897   27.339  9.7391  22.272  7.4937  5.067406       12.28844 
1 1 1 -17 -35 5  o 20.243  6.7860  55.280     39.276   183.086    79.641   14.205     45.149   34.249  9.3302  16.089  6.7785  18.15977       11.53257 
1 1 1 -17 -35 6  o 26.863  5.8939  98.616     37.362   155.330    86.749   85.700     41.398   31.187  10.067  24.692  6.7269  6.494732       12.10805 
1 1 1 -17 -35 7  o 33.227  5.1482  145.535    40.163   187.988    86.171   133.753    45.395   34.636  9.8085  31.291  6.1982  3.345345       11.60279 
1 1 1 -17 -35 8  o 21.193  7.4012  59.104     46.835   78.259     79.686   48.996     57.889   24.510  9.4585  20.743  8.0458  3.767078       12.41770 
1 1 1 -17 -35 9  o 41.476  7.6883  242.035    74.524   21.350     212.553  272.966    79.575   27.941  12.988  44.075  7.7223  -16.13371      15.11054 
1 1 1 -17 -35 10 o 28.797  9.0953  122.196    71.101   235.715    200.027  105.778    76.069   35.630  14.571  27.099  9.4342  8.531397       17.35821 
1 1 1 -17 -35 11 f 13.377  6.3475  -55.6726   55.532   145.396    184.560  -75.6886   58.231   31.805  13.565  12.943  6.2363  18.86159       14.92958 
1 1 1 -17 -35 12 o 24.711  6.2877  83.106     37.793   -3.6172    142.930  89.626     39.188   24.292  11.054  25.649  6.3342  -1.357309      12.74000 
1 1 1 -17 -35 13 o 21.562  6.2003  62.526     34.173   81.019     80.355   58.443     37.757   25.197  9.5532  20.976  6.6283  4.220932       11.62746 
1 1 1 -17 -35 14 o 13.962  5.8926  6.3223     34.214   90.426     59.447   -35.3332   41.837   25.544  8.3404  12.152  5.6862  13.39207       10.09434 
1 1 1 -17 -35 15 o 84.342  4.5127  899.497    92.017   1093.89    131.465  712.799    128.836  91.701  5.9404  72.599  7.4180  19.10143       9.503432 
1 1 1 -17 -35 16 o 48.394  4.5846  297.844    53.192   210.730    89.747   345.017    66.042   37.704  9.7408  51.705  5.3410  -14.00162      11.10898 
1 1 1 -17 -35 17 o 23.645  6.9752  75.889     42.758   24.111     87.876   91.950     48.943   21.768  9.3239  25.821  7.4189  -4.053120      11.91532 
1 1 1 -17 -35 18 o 61.340  4.3106  474.306    63.749   421.070    113.849  498.622    76.942   54.624  8.8960  62.423  5.1252  -7.799007      10.26672 
1 1 1 -17 -35 19 o 114.674 4.1271  1645.33    114.836  1674.11    185.321  1627.40    146.312  112.605 6.8148  112.896 5.3412  -0.2905884     8.658480 
1 1 1 -17 -35 20 o 70.560  5.8867  645.657    99.864   584.166    169.604  678.288    123.553  61.622  11.773  71.175  7.2557  -9.552776      13.82888 
1 1 1 -17 -35 21 o 33.760  8.3197  160.871    67.712   91.870     127.556  187.943    79.899   28.369  11.622  36.089  9.1203  -7.719469      14.77364 
1 1 1 -17 -35 22 o 98.373  5.7079  1246.11    135.658  1267.90    223.740  1233.44    170.591  93.939  9.9684  96.046  7.3764  -2.107368      12.40077 
1 1 1 -17 -35 23 o 30.135  8.7301  129.116    67.521   94.032     129.379  142.249    79.156   28.610  11.711  31.319  9.5495  -2.708809      15.11112 
1 1 1 -17 -35 24 o 28.680  6.6755  111.453    45.584   94.996     88.208   117.449    53.245   26.994  10.057  29.154  7.4876  -2.159977      12.53784 
1 1 1 -17 -35 25 o 54.594  4.6113  377.591    60.513   401.351    107.340  366.522    73.265   53.750  8.5141  53.157  5.7731  0.5929527      10.28684 
1 1 1 -17 -35 26 o 75.703  4.1710  718.708    76.320   848.018    129.629  650.103    94.420   80.237  6.7202  71.129  5.5139  9.108482       8.692770 
1 1 1 -17 -35 27 o 48.221  4.9473  296.987    57.066   328.313    104.597  283.711    68.092   47.926  9.3303  46.481  6.1915  1.445202       11.19773 
1 1 1 -17 -35 28 o 36.325  6.2211  174.846    52.860   212.262    97.839   159.422    62.818   37.653  10.376  33.892  7.8004  3.760838       12.98126 
1 1 1 -17 -35 29 o 34.327  6.4047  157.293    51.383   149.172    95.636   160.589    60.924   31.808  10.588  34.137  7.5550  -2.329165      13.00717 
1 1 1 -17 -35 30 o 97.889  4.1479  1198.24    98.520   1210.08    162.139  1191.31    124.046  95.535  7.0443  96.563  5.3148  -1.027725      8.824318 
1 1 1 -17 -35 31 o 31.362  7.1344  134.546    53.067   79.110     100.461  156.001    62.499   26.320  10.480  33.486  7.8317  -7.166206      13.08324 
1 1 1 -17 -35 32 o 75.933  4.3261  725.259    79.377   708.736    134.734  734.042    98.235   72.274  7.8070  75.665  5.3858  -3.391190      9.484527 
1 1 1 -17 -35 33 o 115.845 7.0820  1781.61    198.111  1781.61    198.111  0.0000     0.0000   115.845 7.0820  ?       ?       0.000000       7.082007 
1 1 1 -17 -35 34 o 46.887  9.7770  320.682    107.628  320.682    107.628  0.0000     0.0000   46.887  9.7770  ?       ?       0.000000       9.777030 
1 1 1 -17 -35 35 o 25.572  10.224  73.068     95.992   73.068     95.992   0.0000     0.0000   25.572  10.224  ?       ?       0.000000       10.22412 
1 1 1 -17 -35 36 o 58.598  6.4437  453.255    90.104   443.860    119.702  465.539    136.870  55.826  9.1543  55.978  10.462  -0.1514091     13.90135 
1 1 1 -17 -35 37 o 54.598  6.4703  394.737    84.050   375.362    157.509  402.450    99.382   47.153  13.229  54.169  7.7849  -7.016098      15.34953 
1 1 1 -17 -35 38 o 19.604  7.5239  40.902     50.226   35.909     126.108  41.844     54.756   25.098  10.958  20.099  7.8170  4.999384       13.46074 
1 1 1 -17 -35 39 o 12.537  5.9263  -46.8175   47.527   202.530    125.519  -88.5499   51.350   35.326  12.129  11.402  5.5761  23.92458       13.34919 
1 1 1 -17 -35 40 o 15.204  6.3700  10.469     39.516   24.831     99.894   7.8051     43.026   22.604  9.8125  15.478  6.5742  7.125073       11.81127 
1 1 1 -17 -35 41 o 19.363  6.9061  45.933     40.949   -49.1285   102.404  64.027     44.676   19.356  9.0033  21.910  7.2341  -2.553902      11.54956 
1 1 1 -17 -35 42 o 28.799  6.9311  115.051    47.849   227.471    107.363  87.188     53.451   37.699  11.034  24.957  7.8864  12.74263       13.56228 
1 1 1 -17 -35 43 o 36.351  5.9531  176.604    50.690   284.941    112.355  148.917    56.799   42.322  10.881  32.556  7.3628  9.765984       13.13778 
1 1 1 -17 -35 44 o 20.025  7.5757  46.871     50.462   -141.7507  162.208  67.081     53.096   21.191  10.259  22.413  7.8774  -1.221510      12.93451 
1 1 1 -17 -35 45 o 20.927  8.0896  50.958     58.366   0.0000     0.0000   50.958     58.366   ?       ?       20.927  8.0896  0.000000       8.089561 
1 1 1 -17 -35 46 o 19.797  7.8935  40.676     57.060   0.0000     0.0000   40.676     57.060   ?       ?       19.797  7.8935  0.000000       7.893531 
1 1 1 -17 -35 47 o 12.849  5.8410  -16.2623   39.784   0.0000     0.0000   -16.2623   39.784   ?       ?       12.849  5.8410  0.000000       5.840983 
1 1 1 -17 -35 48 o 16.760  6.6607  26.810     40.507   28.823     110.444  26.498     43.541   22.640  10.055  17.055  6.8622  5.584263       12.17304 
1 1 1 -17 -35 49 f 16.396  6.5519  25.028     39.398   56.990     83.645   15.916     44.662   22.551  9.3428  16.114  6.7630  6.436897       11.53365 
1 1 1 -17 -35 50 o 40.046  5.4846  215.291    51.893   -19.7299   100.347  301.087    60.629   19.539  9.0270  47.548  5.3479  -28.00921      10.49227 
1 1 1 -17 -35 51 o 21.190  7.0255  63.265     42.121   71.533     89.408   60.906     47.752   23.524  9.6947  21.005  7.4613  2.519407       12.23349 
1 1 1 -17 -35 52 o 43.051  6.3136  257.772    63.992   246.641    124.799  261.742    74.537   35.467  12.095  42.296  7.5393  -6.828987      14.25266 
1 1 1 -17 -35 53 f 28.932  8.0970  128.928    59.083   138.453    116.629  125.641    68.526   27.992  11.242  27.972  8.9392  0.1936531E-01  14.36291 
1 1 1 -17 -35 54 o 47.547  5.9414  310.716    67.048   246.975    126.967  335.365    78.955   34.981  12.188  48.468  6.9092  -13.48773      14.00995 
1 1 1 -17 -35 55 o 39.648  8.8634  248.053    83.126   396.421    154.178  187.249    98.701   43.204  13.354  32.119  10.757  11.08501       17.14835 
1 1 1 -17 -35 56 o 9.1113  4.5909  -135.1660  46.995   -118.0262  114.082  -138.6689  51.574   17.227  8.4003  9.7308  4.8910  7.496593       9.720377 
1 1 1 -17 -35 57 o 13.667  6.3027  -22.5068   48.594   -161.5961  111.038  10.442     54.043   15.978  7.8895  16.563  7.2039  -0.5845537     10.68360 
1 1 1 -17 -35 58 o 24.151  7.8892  87.913     53.187   -59.4030   119.274  124.477    59.422   19.259  9.1851  28.340  8.1839  -9.080688      12.30218 
1 1 1 -17 -35 59 o 12.599  5.9936  -46.8378   50.128   119.388    112.016  -88.4629   56.054   26.679  10.906  11.826  5.7924  14.85282       12.34896 
1 1 1 -17 -35 60 o 24.520  10.072  90.707     96.115   160.679    268.669  80.437     102.926  28.599  13.680  24.042  10.187  4.557350       17.05654 
1 1 1 -17 -35 61 o 22.019  9.5385  54.177     93.995   180.675    271.436  36.941     100.194  28.466  13.651  21.402  9.5365  7.063498       16.65247 
1 1 1 -17 -35 62 o 39.701  11.552  310.741    117.988  352.182    294.881  302.842    128.743  30.745  14.600  37.611  12.274  -6.866135      19.07368 
1 1 1 -17 -34 1  o 18.594  6.5218  44.825     36.385   39.802     73.312   46.467     41.911   20.713  8.6773  19.125  6.9649  1.587912       11.12680 
1 1 1 -17 -34 2  o 46.718  4.6178  282.830    51.660   184.527    100.112  318.507    60.311   33.029  10.825  49.249  5.1219  -16.22049      11.97589 
1 1 1 -17 -34 3  o 14.009  6.0019  4.8176     36.429   31.963     78.809   -2.5586    41.082   20.806  8.8685  14.109  6.2049  6.696462       10.82368 
1 1 1 -17 -34 4  o 14.854  6.1064  14.479     35.364   -13.2856   73.303   22.901     40.373   17.687  7.9957  16.422  6.6076  1.265604       10.37261 
1 1 1 -17 -34 5  o 33.350  5.0954  146.047    39.924   152.370    90.997   144.540    44.428   31.102  10.327  32.828  5.7892  -1.725697      11.83892 
1 1 1 -17 -34 6  o 15.041  5.8703  20.844     30.961   109.737    76.618   3.4953     33.848   27.386  9.4719  13.537  5.7922  13.84871       11.10251 
1 1 1 -17 -34 7  o 45.995  4.2346  268.821    46.729   345.789    95.095   244.319    53.654   49.436  8.2162  43.339  5.2064  6.096588       9.726892 
1 1 1 -17 -34 8  o 29.035  5.5255  111.868    37.505   189.156    87.224   94.338     41.542   35.331  9.8205  26.231  6.5474  9.099558       11.80302 
1 1 1 -17 -34 9  o 14.856  6.5928  -8.2867    47.402   89.088     78.639   -63.8603   59.409   25.817  9.5194  13.639  6.4985  12.17795       11.52606 
1 1 1 -17 -34 10 o 36.819  8.3586  192.818    72.968   77.287     193.225  212.034    78.802   29.893  13.286  38.464  8.6529  -8.571829      15.85544 
1 1 1 -17 -34 11 o 17.734  7.4251  16.889     53.631   -185.9387  135.121  54.818     58.431   18.569  9.0734  21.692  8.1645  -3.123430      12.20592 
1 1 1 -17 -34 12 o 79.977  6.1378  834.628    118.199  941.231    215.607  788.823    141.329  78.360  11.698  76.190  7.7529  2.170029       14.03403 
1 1 1 -17 -34 13 o 81.946  6.0506  873.128    119.457  900.628    213.811  860.648    144.034  76.542  11.899  79.941  7.5137  -3.398933      14.07262 
1 1 1 -17 -34 14 o 36.711  4.7042  172.411    40.939   38.922     77.188   224.661    48.291   21.913  9.0165  41.917  4.8368  -20.00416      10.23190 
1 1 1 -17 -34 15 o 62.587  3.9653  490.237    59.907   450.892    104.156  509.688    73.232   57.723  7.6230  63.378  4.7976  -5.654636      9.007049 
1 1 1 -17 -34 16 o 35.270  4.9580  160.021    41.259   126.825    76.502   173.637    48.995   29.804  9.4368  36.437  5.7310  -6.633299      11.04066 
1 1 1 -17 -34 17 o 68.254  3.8902  581.672    64.161   566.374    110.021  589.555    78.981   65.297  7.0564  68.217  4.8023  -2.920067      8.535480 
1 1 1 -17 -34 18 o 16.582  6.5620  23.014     39.160   -64.0663   81.855   48.860     44.594   16.813  7.8946  20.184  7.2061  -3.371002      10.68891 
1 1 1 -17 -34 19 o 103.685 4.0598  1340.73    102.138  1192.74    165.773  1431.28    129.676  94.799  7.2621  106.363 5.0246  -11.56403      8.830873 
1 1 1 -17 -34 20 o 49.893  4.6548  315.409    55.701   241.589    101.260  347.438    66.700   40.435  10.294  52.036  5.3593  -11.60109      11.60551 
1 1 1 -17 -34 21 o 20.192  8.0221  37.031     58.741   -2.9093    114.963  51.143     68.335   22.888  10.206  22.273  8.7132  0.6147690      13.41907 
1 1 1 -17 -34 22 o 42.458  7.3872  243.505    73.339   251.012    130.869  240.067    88.549   39.890  12.299  41.113  9.1156  -1.223022      15.30898 
1 1 1 -17 -34 23 o 69.427  5.9414  622.615    99.124   515.116    169.622  678.365    122.153  57.508  12.512  71.560  7.1301  -14.05180      14.40082 
1 1 1 -17 -34 24 o 68.278  5.8983  601.675    96.758   617.927    169.466  593.815    117.857  64.549  11.228  66.708  7.4064  -2.159492      13.45056 
1 1 1 -17 -34 25 o 60.776  4.4399  464.883    65.021   579.612    112.566  407.435    79.654   66.120  7.1291  56.083  5.9441  10.03711       9.281991 
1 1 1 -17 -34 26 o 61.196  4.4016  471.000    64.922   482.848    111.852  464.980    79.725   59.727  7.9129  60.202  5.5193  -0.4753265     9.647646 
1 1 1 -17 -34 27 f 71.446  4.2093  639.358    72.649   542.824    123.788  690.076    89.726   63.060  8.2912  73.737  5.0453  -10.67719      9.705661 
1 1 1 -17 -34 28 o 71.076  4.2722  633.393    73.335   736.534    123.641  577.413    91.088   74.798  6.8900  67.043  5.6522  7.755302       8.911743 
1 1 1 -17 -34 29 o 53.372  4.7844  361.197    61.302   299.956    105.471  392.440    75.333   45.595  9.8234  55.158  5.7115  -9.562771      11.36309 
1 1 1 -17 -34 30 o 16.197  6.8318  9.4584     45.949   56.296     87.284   -8.4974    54.043   24.089  9.7075  15.983  7.0687  8.106594       12.00846 
1 1 1 -17 -34 31 f 44.180  5.4478  251.659    57.163   378.001    104.417  197.592    68.307   52.298  8.5222  37.998  7.6730  14.29981       11.46746 
1 1 1 -17 -34 32 o 92.719  7.0205  1134.10    156.771  1134.10    156.771  0.0000     0.0000   92.719  7.0205  ?       ?       0.000000       7.020500 
1 1 1 -17 -34 33 o 34.250  10.958  175.651    102.943  175.651    102.943  0.0000     0.0000   34.250  10.958  ?       ?       0.000000       10.95759 
1 1 1 -17 -34 34 o 66.344  8.0731  598.903    127.281  598.903    127.281  0.0000     0.0000   66.344  8.0731  ?       ?       0.000000       8.073134 
1 1 1 -17 -34 35 o 50.909  6.0129  337.694    72.841   194.613    156.234  377.433    82.337   35.315  13.337  53.577  6.4642  -18.26236      14.82123 
1 1 1 -17 -34 36 o 58.261  4.4485  428.249    62.411   489.901    120.741  405.770    72.907   59.424  8.6261  56.191  5.4143  3.232346       10.18447 
1 1 1 -17 -34 37 o 44.224  7.2729  264.310    75.329   319.780    154.048  246.878    86.358   43.767  13.317  41.758  8.8007  2.009151       15.96217 
1 1 1 -17 -34 38 o 79.933  6.0604  830.331    116.666  996.629    203.571  748.999    142.365  82.669  10.377  74.069  8.0511  8.599861       13.13430 
1 1 1 -17 -34 39 o 73.399  6.1415  702.907    108.372  707.106    193.895  701.000    130.692  67.119  12.361  72.002  7.5953  -4.882523      14.50817 
1 1 1 -17 -34 40 o 18.871  6.5942  43.525     37.180   -11.6242   99.627   52.449     40.076   20.904  9.3972  20.279  6.8544  0.6250877      11.63146 
1 1 1 -17 -34 41 o 40.067  5.3749  208.672    50.936   202.048    110.552  210.457    57.390   35.842  11.344  39.857  6.1307  -4.015640      12.89429 
1 1 1 -17 -34 42 o 14.813  6.2431  8.1649     38.321   52.939     104.541  1.2146     41.188   24.581  10.333  14.635  6.3271  9.945700       12.11635 
1 1 1 -17 -34 43 o 47.810  4.9654  294.174    56.762   191.622    122.072  322.464    64.115   34.373  11.952  49.831  5.3885  -15.45787      13.11055 
1 1 1 -17 -34 44 o 43.008  6.0654  245.831    61.539   0.0000     0.0000   245.831    61.539   ?       ?       43.008  6.0654  0.000000       6.065401 
1 1 1 -17 -34 45 o 32.644  9.0675  158.981    74.387   0.0000     0.0000   158.981    74.387   ?       ?       32.644  9.0675  0.000000       9.067455 
1 1 1 -17 -34 46 o 35.645  9.0066  189.959    77.928   0.0000     0.0000   189.959    77.928   ?       ?       35.645  9.0066  0.000000       9.006586 
1 1 1 -17 -34 47 o 22.125  7.2544  67.136     44.956   -75.8776   114.387  93.261     48.890   19.193  9.1082  25.595  7.4326  -6.401999      11.75598 
1 1 1 -17 -34 48 o 23.566  6.9493  78.036     42.447   107.450    86.646   68.747     48.690   26.903  9.9780  22.337  7.5553  4.565990       12.51569 
1 1 1 -17 -34 49 o 38.266  5.9866  198.220    53.763   191.118    138.800  199.473    58.315   32.443  12.493  38.010  6.5601  -5.567173      14.11096 
1 1 1 -17 -34 50 o 17.426  6.7522  32.701     40.738   95.201     85.943   14.588     46.265   25.569  9.8352  16.228  6.8507  9.341372       11.98589 
1 1 1 -17 -34 51 o 11.365  5.3096  -27.8413   36.241   -110.8711  84.645   -9.2043    40.103   14.891  7.2554  13.348  5.9841  1.542863       9.404831 
1 1 1 -17 -34 52 o 19.534  7.6022  45.264     51.813   -25.8549   95.374   75.043     61.715   18.841  8.7383  22.980  8.4391  -4.138397      12.14812 
1 1 1 -17 -34 53 o 18.486  7.4972  34.495     52.420   -88.8035   106.333  74.080     60.250   17.537  8.4442  22.766  8.3418  -5.229033      11.86967 
1 1 1 -17 -34 54 o 13.161  6.1588  -33.5300   49.103   -101.3647  111.176  -17.0907   54.730   17.541  8.4921  14.890  6.8004  2.650467       10.87944 
1 1 1 -17 -34 55 o 32.492  9.5656  174.633    80.485   175.213    146.661  174.383    96.279   29.942  12.385  31.390  10.624  -1.448103      16.31762 
1 1 1 -17 -34 56 o 25.480  9.2158  101.733    73.196   259.004    147.585  50.429     84.293   34.752  12.996  21.760  9.2199  12.99161       15.93426 
1 1 1 -17 -34 57 o 43.172  6.8452  264.711    69.313   185.389    165.700  281.535    76.310   30.242  12.875  44.018  7.4078  -13.77575      14.85357 
1 1 1 -17 -34 58 o 44.938  6.8080  285.721    71.909   467.117    149.304  230.936    82.053   50.015  12.371  38.299  8.9846  11.71544       15.28971 
1 1 1 -17 -34 59 o 19.360  7.7638  41.961     55.535   98.728     130.284  29.357     61.391   26.064  11.260  18.763  7.9045  7.301191       13.75782 
1 1 1 -17 -34 60 o 25.399  10.477  98.184     104.534  171.085    270.433  85.378     113.344  29.387  13.963  24.852  10.616  4.535095       17.54008 
1 1 1 -17 -34 61 o 19.786  9.0793  -1.4519    99.114   155.402    269.593  -25.9660   106.578  28.608  13.689  19.348  9.0603  9.259867       16.41586 
1 1 1 -17 -34 62 f 26.257  10.510  119.939    101.571  -167.1788  302.259  156.488    107.842  23.983  12.026  28.691  11.022  -4.708012      16.31236 
1 1 1 -17 -33 1  o 53.812  4.2508  369.794    55.051   428.364    102.404  345.987    65.288   54.806  7.9313  51.329  5.3193  3.477074       9.549879 
1 1 1 -17 -33 2  o 30.999  6.0187  130.334    43.639   205.679    85.681   103.943    50.709   36.564  9.5525  26.968  7.4850  9.596018       12.13567 
1 1 1 -17 -33 3  o 30.062  6.1292  122.725    43.192   176.170    83.036   102.902    50.572   33.886  9.6399  26.920  7.4759  6.965223       12.19901 
1 1 1 -17 -33 4  o 16.010  5.6913  30.143     27.788   -116.7138  76.724   52.315     29.812   14.076  6.8693  19.786  5.8207  -5.709807      9.003779 
1 1 1 -17 -33 5  o 41.576  4.5244  221.059    44.905   306.539    97.325   197.941    50.614   45.926  9.0555  38.837  5.5270  7.089375       10.60895 
1 1 1 -17 -33 6  o 26.041  5.7418  90.756     35.304   97.683     78.865   89.019     39.481   26.612  9.5743  25.572  6.3829  1.040159       11.50688 
1 1 1 -17 -33 7  o 50.233  4.1599  318.434    50.247   403.004    104.281  292.862    57.343   53.783  8.2545  47.742  5.0256  6.041817       9.664067 
1 1 1 -17 -33 8  o 46.354  4.4331  272.516    49.252   404.260    117.416  244.385    54.257   52.952  9.4871  43.501  5.2462  9.451023       10.84098 
1 1 1 -17 -33 9  o 23.832  6.1668  76.370     35.934   152.714    95.047   63.639     38.815   32.045  10.550  21.859  6.6913  10.18616       12.49315 
1 1 1 -17 -33 10 o 72.188  3.9315  651.386    68.603   658.288    127.198  648.555    81.467   69.841  7.6301  71.572  4.7176  -1.730522      8.970732 
1 1 1 -17 -33 11 o 43.278  7.5531  254.839    76.429   -30.7906   155.582  345.695    87.747   24.729  11.358  50.675  7.3509  -25.94578      13.52898 
1 1 1 -17 -33 12 o 23.709  8.3546  71.872     59.754   23.110     131.305  84.607     67.105   25.244  11.098  25.347  8.8588  -0.1035271     14.19991 
1 1 1 -17 -33 13 o 73.831  6.0283  705.347    107.051  735.664    193.058  691.887    128.639  69.758  11.828  71.940  7.4788  -2.182388      13.99448 
1 1 1 -17 -33 14 o 79.459  6.0154  815.528    115.117  772.126    199.181  837.297    141.062  71.502  11.899  79.294  7.4179  -7.791878      14.02159 
1 1 1 -17 -33 15 o 42.077  4.4078  223.769    44.334   162.125    80.531   250.575    53.106   33.573  9.4733  44.292  5.0307  -10.71849      10.72616 
1 1 1 -17 -33 16 o 113.413 3.9686  1600.19    109.211  1555.44    173.871  1629.36    140.351  109.307 6.5864  113.533 5.0948  -4.226051      8.326961 
1 1 1 -17 -33 17 o 46.187  4.2958  268.503    47.590   233.575    85.869   283.988    57.174   40.742  8.9324  47.184  5.0737  -6.442024      10.27278 
1 1 1 -17 -33 18 o 40.138  4.7380  204.851    45.254   261.403    81.068   179.251    54.544   43.803  7.9190  36.865  6.3255  6.938126       10.13521 
1 1 1 -17 -33 19 f 51.855  4.5864  339.305    57.112   340.619    101.320  338.692    69.143   49.614  8.7355  51.309  5.6473  -1.695423      10.40196 
1 1 1 -17 -33 20 o 41.242  5.2729  218.221    51.558   253.956    94.109   202.895    61.630   42.296  9.4124  39.097  6.7399  3.199306       11.57669 
1 1 1 -17 -33 21 o 45.110  5.0175  259.179    53.989   179.725    94.552   297.616    65.763   35.091  10.378  48.031  5.7576  -12.93975      11.86855 
1 1 1 -17 -33 22 o 57.024  6.3967  423.295    86.982   397.233    155.878  435.079    104.818  50.441  12.734  56.925  7.7934  -6.483589      14.92980 
1 1 1 -17 -33 23 o 17.289  7.5525  -2.4789    59.962   53.669     119.970  -21.1753   69.229   26.323  11.068  17.358  7.8156  8.964273       13.54901 
1 1 1 -17 -33 24 o 59.942  6.3931  467.048    91.549   376.522    163.844  508.140    110.389  48.424  13.459  61.791  7.5175  -13.36706      15.41650 
1 1 1 -17 -33 25 o 36.784  8.1713  186.394    71.035   137.135    134.576  205.419    83.636   31.986  12.306  38.140  9.1538  -6.154478      15.33740 
1 1 1 -17 -33 26 o 62.504  4.4161  490.155    66.544   430.388    114.169  520.904    81.892   56.019  8.6803  63.975  5.3239  -7.956444      10.18285 
1 1 1 -17 -33 27 o 13.984  6.2606  -14.2551   43.727   45.301     83.315   -36.8980   51.372   23.154  9.4286  13.848  6.4193  9.305541       11.40642 
1 1 1 -17 -33 28 o 55.558  4.6809  389.404    62.513   343.749    108.614  412.020    76.444   49.462  9.3935  56.685  5.6325  -7.222446      10.95274 
1 1 1 -17 -33 29 o 47.384  5.2336  286.774    59.168   352.620    103.171  254.504    72.226   50.560  8.7251  43.744  7.0440  6.816631       11.21357 
1 1 1 -17 -33 30 o 38.991  6.0490  198.562    55.374   308.976    100.055  149.810    66.485   46.997  9.1029  32.823  8.3331  14.17416       12.34113 
1 1 1 -17 -33 31 o 55.494  8.6194  422.882    112.294  422.882    112.294  0.0000     0.0000   55.494  8.6194  ?       ?       0.000000       8.619368 
1 1 1 -17 -33 32 o 33.874  10.789  168.298    99.878   168.298    99.878   0.0000     0.0000   33.874  10.789  ?       ?       0.000000       10.78863 
1 1 1 -17 -33 33 f 53.593  9.0647  400.247    113.671  400.247    113.671  0.0000     0.0000   53.593  9.0647  ?       ?       0.000000       9.064659 
1 1 1 -17 -33 34 o 121.768 4.3094  1852.24    127.325  1876.03    200.275  1836.10    164.950  119.696 6.9254  119.984 5.6659  -0.2876511     8.947767 
1 1 1 -17 -33 35 o 38.559  5.1805  191.048    47.243   120.039    99.392   211.774    53.696   29.635  10.736  40.435  5.6253  -10.79993      12.12046 
1 1 1 -17 -33 36 f 79.894  4.0502  796.968    78.259   971.851    139.714  717.010    94.470   86.166  6.7361  75.071  5.2188  11.09547       8.521173 
1 1 1 -17 -33 37 o 70.506  4.1359  622.079    70.446   699.727    132.925  591.752    83.072   72.194  7.7073  68.251  5.0521  3.943008       9.215609 
1 1 1 -17 -33 38 o 36.972  7.9035  188.583    68.753   215.242    147.390  181.169    77.727   36.810  13.105  35.654  8.9874  1.156105       15.89072 
1 1 1 -17 -33 39 o 45.679  6.9876  278.851    74.986   359.301    148.933  251.532    86.789   47.328  12.703  42.279  8.7485  5.048798       15.42423 
1 1 1 -17 -33 40 o 55.009  6.4676  398.083    84.678   471.014    161.419  370.394    99.462   54.651  12.451  51.892  8.1694  2.758373       14.89170 
1 1 1 -17 -33 41 o 16.451  6.4485  24.058     37.486   -75.5692   152.243  30.488     38.676   22.976  10.781  17.360  6.6167  5.615873       12.64981 
1 1 1 -17 -33 42 o 37.393  5.9839  184.422    52.462   156.657    170.043  187.342    55.152   32.975  13.454  37.551  6.2745  -4.575596      14.84501 
1 1 1 -17 -33 43 o 50.927  5.5784  336.629    67.804   0.0000     0.0000   336.629    67.804   ?       ?       50.927  5.5784  0.000000       5.578441 
1 1 1 -17 -33 44 o 33.637  7.0498  155.235    55.697   0.0000     0.0000   155.235    55.697   ?       ?       33.637  7.0498  0.000000       7.049791 
1 1 1 -17 -33 45 o 36.185  9.0054  191.862    78.752   0.0000     0.0000   191.862    78.752   ?       ?       36.185  9.0054  0.000000       9.005393 
1 1 1 -17 -33 46 o 19.489  7.8251  35.188     56.492   186.237    172.556  17.055     59.786   33.453  13.590  18.320  7.7637  15.13270       15.65115 
1 1 1 -17 -33 47 o 15.510  6.7636  0.6450     47.910   -123.5691  109.762  29.881     53.251   17.498  8.4632  18.630  7.5561  -1.131989      11.34548 
1 1 1 -17 -33 48 o 20.582  6.8826  56.318     40.402   -166.2216  86.364   118.664    45.712   13.861  6.8646  29.290  6.5914  -15.42850      9.516800 
1 1 1 -17 -33 49 o 54.634  4.6243  384.048    60.727   408.293    111.924  373.933    72.294   52.386  9.1377  53.142  5.6954  -0.7563896     10.76730 
1 1 1 -17 -33 50 o 35.087  5.9931  166.873    49.190   207.621    100.682  154.097    56.377   35.349  10.768  32.914  7.2546  2.434505       12.98391 
1 1 1 -17 -33 51 o 37.410  5.9792  189.912    52.446   97.013     103.652  221.881    60.805   26.197  10.571  40.153  6.4601  -13.95517      12.38875 
1 1 1 -17 -33 52 o 18.199  6.8613  39.164     41.302   -16.3006   89.944   53.985     46.494   18.928  8.6719  20.284  7.3437  -1.356033      11.36364 
1 1 1 -17 -33 53 o 12.056  5.7484  -48.7854   46.659   -152.9834  111.983  -26.8961   51.326   16.479  8.0949  13.933  6.4437  2.545892       10.34647 
1 1 1 -17 -33 54 o 18.982  7.6856  37.114     54.990   -34.3829   126.490  53.776     61.063   20.812  9.7855  20.897  8.2180  -0.8534431E-01 12.77858 
1 1 1 -17 -33 55 o 19.090  8.0887  28.826     64.880   102.264    123.957  1.1167     76.142   26.325  11.169  18.347  8.2340  7.977842       13.87583 
1 1 1 -17 -33 56 o 31.697  9.7664  166.720    82.534   253.905    158.526  134.299    96.670   34.249  13.306  28.212  10.524  6.036957       16.96508 
1 1 1 -17 -33 57 o 49.405  8.4696  367.934    97.876   522.843    179.884  302.785    116.656  49.846  14.191  41.238  11.316  8.608524       18.15069 
1 1 1 -17 -33 58 o 16.754  7.2668  10.385     54.688   91.865     124.133  -9.2391    60.919   25.833  11.074  16.183  7.3048  9.650463       13.26617 
1 1 1 -17 -33 59 o 16.884  7.2273  14.986     52.740   135.443    128.708  -9.3212    57.817   28.220  11.631  15.800  7.1256  12.42009       13.64032 
1 1 1 -17 -33 60 o 23.593  9.8688  70.301     94.615   -253.5564  267.061  116.785    101.177  23.085  11.535  26.836  10.571  -3.750931      15.64610 
1 1 1 -17 -33 61 o 28.895  10.481  145.281    94.775   -66.5038   326.759  164.734    99.032   26.467  13.150  30.358  10.749  -3.891130      16.98401 
1 1 1 -17 -33 62 f 19.344  8.7457  6.9893     87.740   94.985     323.444  -0.0003    91.158   27.899  13.716  19.268  8.7908  8.631067       16.29092 
1 1 1 -17 -32 1  o 22.659  6.4201  70.309     36.908   107.760    75.208   58.429     42.359   27.210  9.3858  20.995  7.0472  6.214563       11.73701 
1 1 1 -17 -32 2  o 30.515  6.0334  125.304    43.089   84.574     83.662   140.009    50.269   25.461  9.7251  31.965  6.6958  -6.503603      11.80722 
1 1 1 -17 -32 3  o 13.047  5.2607  11.594     25.648   -82.2768   70.123   26.091     27.558   14.424  6.9231  15.402  5.6419  -0.9780331     8.930873 
1 1 1 -17 -32 4  o 28.183  5.6944  105.600    37.600   199.062    87.402   84.376     41.651   36.574  9.6929  24.844  6.7387  11.72975       11.80519 
1 1 1 -17 -32 5  o 32.092  5.1081  133.808    38.443   198.860    84.021   116.584    43.234   36.882  9.3701  29.460  6.2422  7.421619       11.25896 
1 1 1 -17 -32 6  o 58.015  4.1309  422.885    57.769   445.690    128.919  417.155    64.620   55.379  9.9604  57.338  4.6856  -1.959293      11.00747 
1 1 1 -17 -32 7  o 52.685  4.0994  348.570    51.992   376.487    105.534  339.622    59.746   51.941  8.6801  51.668  4.8213  0.2722664      9.929209 
1 1 1 -17 -32 8  o 25.622  5.8809  87.350     35.787   20.111     84.992   101.841    39.455   21.434  9.1749  27.647  6.0497  -6.212765      10.98991 
1 1 1 -17 -32 9  o 41.841  4.4808  221.706    44.784   174.358    94.272   235.505    50.893   34.367  10.409  42.932  4.9779  -8.565407      11.53783 
1 1 1 -17 -32 10 o 30.111  5.1577  117.539    36.328   155.386    70.063   103.624    42.485   33.225  8.6178  27.804  6.4262  5.420815       10.74999 
1 1 1 -17 -32 11 o 13.198  5.4082  9.2468     27.627   1.1970     55.605   11.885     31.834   16.922  7.3334  14.258  5.8197  2.663418       9.362049 
1 1 1 -17 -32 12 o 37.901  7.8637  196.670    69.948   256.203    140.012  176.869    80.747   40.246  12.769  35.203  9.3103  5.042778       15.80271 
1 1 1 -17 -32 13 o 66.929  6.1301  579.026    98.445   387.083    174.484  668.661    119.236  48.402  14.037  71.329  6.9787  -22.92721      15.67637 
1 1 1 -17 -32 14 o 100.814 5.8824  1301.96    143.268  1361.39    237.878  1268.14    179.468  98.225  10.126  97.763  7.6260  0.4620132      12.67647 
1 1 1 -17 -32 15 o 95.543  5.8627  1168.47    135.256  1190.04    225.051  1156.27    169.229  91.685  10.294  93.492  7.5236  -1.806870      12.75040 
1 1 1 -17 -32 16 o 46.701  4.2315  273.653    47.429   226.411    83.650   296.036    57.579   40.324  8.7968  48.287  4.9862  -7.962170      10.11171 
1 1 1 -17 -32 17 o 37.331  4.7446  177.118    42.006   170.214    77.481   179.992    49.990   34.776  9.0832  37.273  5.7093  -2.497185      10.72848 
1 1 1 -17 -32 18 o 26.487  5.9889  92.724     37.587   120.798    69.111   80.933     44.791   29.549  8.9038  24.608  7.1050  4.940495       11.39116 
1 1 1 -17 -32 19 f 28.732  5.6302  107.854    37.848   167.148    70.607   83.948     44.833   34.764  8.4525  25.043  7.0690  9.721172       11.01888 
1 1 1 -17 -32 20 o 76.459  4.0414  727.424    74.710   723.886    126.183  729.333    92.706   74.403  7.0747  76.030  5.0541  -1.627029      8.694511 
1 1 1 -17 -32 21 o 93.470  3.9669  1083.19    89.967   1071.53    145.962  1090.33    114.251  91.011  6.6558  93.017  5.0814  -2.005241      8.373788 
1 1 1 -17 -32 22 o 36.943  5.6332  176.206    48.897   221.183    90.938   157.913    57.994   39.567  9.5754  34.322  7.1939  5.245331       11.97670 
1 1 1 -17 -32 23 o 21.459  8.3879  44.096     63.288   -51.7649   123.975  77.882     73.601   22.013  10.121  25.309  9.2279  -3.296412      13.69601 
1 1 1 -17 -32 24 o 70.973  6.1260  646.554    104.462  513.465    181.134  712.878    127.868  57.730  13.216  73.771  7.2367  -16.04088      15.06779 
1 1 1 -17 -32 25 o 66.776  6.1464  572.986    98.469   553.583    169.774  582.822    120.877  61.338  11.836  66.368  7.6460  -5.029968      14.09076 
1 1 1 -17 -32 26 o 33.258  9.2026  154.882    76.776   99.186     134.628  181.725    93.464   29.990  12.067  35.599  10.259  -5.608397      15.83829 
1 1 1 -17 -32 27 f 45.863  5.2278  267.803    57.137   237.120    98.984   283.135    69.971   40.726  10.073  46.677  6.3422  -5.950680      11.90308 
1 1 1 -17 -32 28 o 94.968  4.0830  1119.53    94.085   1054.31    151.531  1160.44    120.022  89.996  6.9943  95.907  5.1768  -5.911003      8.701657 
1 1 1 -17 -32 29 o 71.677  4.3605  642.057    75.477   580.756    126.079  676.297    94.226   65.906  8.0516  73.037  5.3543  -7.131088      9.669355 
1 1 1 -17 -32 30 o 19.462  8.7157  -18.5617   84.830   -18.5617   84.830   0.0000     0.0000   19.462  8.7157  ?       ?       0.000000       8.715712 
1 1 1 -17 -32 31 o 30.420  10.596  126.785    95.974   126.785    95.974   0.0000     0.0000   30.420  10.596  ?       ?       0.000000       10.59646 
1 1 1 -17 -32 32 o 41.045  10.037  241.969    99.127   241.969    99.127   0.0000     0.0000   41.045  10.037  ?       ?       0.000000       10.03682 
1 1 1 -17 -32 33 o 52.635  5.1401  352.047    64.808   475.449    113.030  291.611    79.102   59.457  8.0410  46.864  7.1855  12.59309       10.78378 
1 1 1 -17 -32 34 o 94.616  3.9767  1111.70    91.296   1238.14    155.365  1045.01    112.831  97.727  6.5905  90.911  5.1361  6.816399       8.355469 
1 1 1 -17 -32 35 o 101.352 4.0124  1276.55    98.673   1524.45    166.095  1141.34    122.666  108.706 6.3244  94.829  5.3530  13.87686       8.285676 
1 1 1 -17 -32 36 o 55.707  4.3848  389.731    58.789   513.227    117.872  348.839    67.828   61.675  8.0701  52.212  5.4335  9.463280       9.728803 
1 1 1 -17 -32 37 o 24.912  6.6102  83.228     40.618   146.811    99.751   70.590     44.472   31.998  10.814  23.105  7.1773  8.892929       12.97912 
1 1 1 -17 -32 38 o 23.654  8.1011  71.963     55.987   30.827     134.047  80.655     61.619   26.003  11.327  24.852  8.4989  1.150702       14.16113 
1 1 1 -17 -32 39 o 20.116  7.8019  40.096     54.430   102.708    125.844  25.688     60.369   29.345  11.716  19.423  7.9808  9.922029       14.17561 
1 1 1 -17 -32 40 o 49.781  7.0304  329.563    82.556   460.827    162.615  283.984    95.823   54.274  12.592  44.861  9.1140  9.413509       15.54403 
1 1 1 -17 -32 41 o 35.965  5.6307  168.507    47.525   99.078     107.127  185.520    53.029   28.206  10.944  37.599  6.0154  -9.393023      12.48814 
1 1 1 -17 -32 42 o 55.454  5.3968  394.872    71.696   0.0000     0.0000   394.872    71.696   ?       ?       55.454  5.3968  0.000000       5.396762 
1 1 1 -17 -32 43 o 54.493  5.3646  381.741    70.012   0.0000     0.0000   381.741    70.012   ?       ?       54.493  5.3646  0.000000       5.364575 
1 1 1 -17 -32 44 o 16.532  6.7977  17.059     43.835   0.0000     0.0000   17.059     43.835   ?       ?       16.532  6.7977  0.000000       6.797674 
1 1 1 -17 -32 45 f 12.618  5.8196  -26.7606   41.451   52.659     107.921  -40.5044   44.895   24.885  10.482  12.427  5.8389  12.45757       11.99840 
1 1 1 -17 -32 46 f 24.101  8.1503  78.610     56.661   52.073     128.969  84.957     63.074   25.936  11.204  24.968  8.5964  0.9678631      14.12200 
1 1 1 -17 -32 47 o 17.688  7.2864  21.859     50.477   -107.4683  112.853  54.203     56.437   18.377  8.8102  21.352  8.0264  -2.975214      11.91814 
1 1 1 -17 -32 48 f 14.476  6.2042  4.2476     38.950   -11.2076   84.206   8.4544     43.932   19.142  8.6190  15.603  6.6355  3.538590       10.87735 
1 1 1 -17 -32 49 o 21.343  7.0531  61.228     42.465   125.410    89.880   42.784     48.182   28.797  10.236  19.418  7.3890  9.379179       12.62408 
1 1 1 -17 -32 50 o 54.467  4.7545  382.532    62.205   510.134    119.741  335.366    72.799   59.371  8.5593  50.024  6.1258  9.347275       10.52550 
1 1 1 -17 -32 51 o 38.197  5.8061  195.730    52.118   199.987    104.763  194.330    60.080   34.514  11.055  37.371  6.8791  -2.857414      13.02087 
1 1 1 -17 -32 52 f 26.300  7.2882  99.527     48.117   279.891    99.163   43.982     55.030   42.132  9.8726  19.850  7.8030  22.28226       12.58392 
1 1 1 -17 -32 53 o 30.268  8.1085  136.921    60.750   223.267    126.318  110.940    69.289   34.691  12.153  26.927  9.0133  7.763733       15.13033 
1 1 1 -17 -32 54 o 32.200  8.1709  155.896    63.945   4.8162     135.148  199.475    72.584   22.842  10.526  36.372  8.3948  -13.53039      13.46348 
1 1 1 -17 -32 55 o 27.513  8.4544  115.858    61.896   254.673    130.726  75.746     70.272   36.321  12.379  23.329  8.9124  12.99190       15.25375 
1 1 1 -17 -32 56 o 38.363  9.2098  231.516    84.643   168.645    165.565  253.762    98.487   30.087  12.840  39.060  10.259  -8.973175      16.43548 
1 1 1 -17 -32 57 o 16.133  7.3519  -16.1403   63.529   11.331     141.253  -23.1062   71.129   23.235  10.726  16.638  7.6556  6.596748       13.17772 
1 1 1 -17 -32 58 o 21.164  7.9511  58.999     55.368   -3.5983    126.688  73.778     61.558   21.964  10.146  22.889  8.4250  -0.9250488     13.18778 
1 1 1 -17 -32 59 o 18.316  7.4279  32.573     51.453   109.238    119.997  15.302     56.954   26.883  11.168  17.424  7.4858  9.459137       13.44485 
1 1 1 -17 -32 60 o 19.733  8.8126  9.7765     86.079   -133.2682  311.783  21.580     89.560   26.075  12.936  20.622  9.1113  5.452877       15.82272 
1 1 1 -17 -32 61 o 21.717  9.3896  41.685     90.732   119.009    319.796  34.916     94.621   29.355  14.257  21.569  9.4529  7.785524       17.10622 
1 1 1 -17 -32 62 o 30.507  14.769  230.046    336.130  230.046    336.130  0.0000     0.0000   30.507  14.769  ?       ?       0.000000       14.76892 
1 1 1 -17 -32 63 o 18.754  8.5973  -5.8780    88.576   292.835    331.209  -28.8875   91.924   30.613  14.780  18.051  8.4409  12.56157       17.02043 
1 1 1 -17 -31 1  o 36.110  4.5848  167.175    39.266   315.633    85.617   127.634    44.186   47.878  7.6258  30.841  6.1207  17.03683       9.778340 
1 1 1 -17 -31 2  o 54.490  4.0207  373.211    52.784   537.764    105.116  317.727    61.037   63.435  6.9426  49.709  5.1345  13.72613       8.635039 
1 1 1 -17 -31 3  o 16.814  5.8228  33.876     28.959   37.624     76.525   33.250     31.286   21.734  8.9644  16.935  6.0369  4.799301       10.80760 
1 1 1 -17 -31 4  o 21.332  5.6901  60.382     29.995   11.763     79.419   68.470     32.394   20.332  8.7879  22.665  5.8505  -2.332766      10.55723 
1 1 1 -17 -31 5  f 24.304  5.6993  78.366     33.026   57.833     77.792   82.881     36.477   23.509  9.2659  24.900  6.0883  -1.391521      11.08712 
1 1 1 -17 -31 6  o 34.192  5.1800  150.915    41.629   158.492    179.678  150.486    42.794   33.929  13.835  34.076  5.3521  -0.1472740     14.83392 
1 1 1 -17 -31 7  o 71.655  3.9264  639.992    68.006   705.842    127.496  613.807    80.398   72.965  7.2994  69.722  4.7812  3.242699       8.725875 
1 1 1 -17 -31 8  o 53.257  4.1191  355.134    52.815   255.061    107.480  386.991    60.641   41.590  10.615  55.422  4.5495  -13.83222      11.54882 
1 1 1 -17 -31 9  f 23.449  5.6946  72.642     32.078   17.628     62.994   91.900     37.272   19.120  8.0284  26.335  5.9705  -7.215641      10.00512 
1 1 1 -17 -31 10 o 11.391  5.0151  -5.7933    26.903   -2.5525    56.069   -6.7625    30.663   16.757  7.3120  12.113  5.3426  4.643483       9.055882 
1 1 1 -17 -31 11 o 65.144  3.7976  527.509    59.767   596.276    103.056  492.658    73.365   67.880  6.3301  62.463  4.8794  5.416626       7.992413 
1 1 1 -17 -31 12 o 98.423  3.8310  1200.31    91.489   1219.84    149.299  1188.57    115.774  97.282  6.3600  97.168  4.9266  0.1138687      8.044914 
1 1 1 -17 -31 13 o 113.115 5.9940  1635.59    163.926  1524.40    265.060  1704.45    208.605  103.680 10.690  113.744 7.6022  -10.06361      13.11716 
1 1 1 -17 -31 14 o 21.878  8.1781  52.928     58.430   63.803     116.119  49.241     67.614   26.858  11.056  22.279  8.6804  4.579304       14.05659 
1 1 1 -17 -31 15 o 24.535  8.2061  77.758     57.434   -129.7762  116.550  144.319    66.005   18.698  8.9612  32.382  8.3475  -13.68421      12.24680 
1 1 1 -17 -31 16 o 16.340  7.0797  -0.8547    51.803   -122.8208  108.080  35.521     59.025   18.028  8.6373  20.297  8.0486  -2.269073      11.80606 
1 1 1 -17 -31 17 o 58.294  3.9459  422.529    55.483   445.167    95.349   410.939    68.224   58.470  6.8506  57.080  4.9757  1.390034       8.466843 
1 1 1 -17 -31 18 o 94.963  3.8222  1114.79    88.072   1103.15    141.927  1122.08    112.311  92.784  6.3422  94.588  4.9104  -1.803703      8.020945 
1 1 1 -17 -31 19 o 56.922  4.0713  403.318    55.860   445.869    95.483   381.176    68.877   58.569  6.8481  54.877  5.2363  3.692303       8.620667 
1 1 1 -17 -31 20 o 71.039  3.8219  625.230    65.636   727.412    109.391  567.750    82.045   75.519  6.0199  67.155  5.0725  8.363678       7.872082 
1 1 1 -17 -31 21 o 21.680  7.0714  59.448     42.737   64.252     84.303   57.786     49.581   24.954  9.7010  21.865  7.6163  3.088938       12.33360 
1 1 1 -17 -31 22 o 73.327  4.1370  668.132    73.306   620.946    122.461  694.482    91.514   68.899  7.4435  74.310  5.1065  -5.411049      9.026728 
1 1 1 -17 -31 23 o 32.092  6.9134  136.729    52.245   311.276    120.269  96.130     58.003   46.635  10.835  26.840  8.1725  19.79503       13.57175 
1 1 1 -17 -31 24 o 32.443  10.254  146.179    90.352   0.0000     0.0000   146.179    90.352   ?       ?       32.443  10.254  0.000000       10.25364 
1 1 1 -17 -31 25 o 22.106  8.7094  44.575     68.700   157.507    121.594  -8.3780    83.263   33.766  11.916  19.978  8.8080  13.78810       14.81770 
1 1 1 -17 -31 26 o 71.900  6.2618  661.763    108.152  488.629    181.153  757.651    134.815  56.640  13.392  76.214  7.3828  -19.57357      15.29228 
1 1 1 -17 -31 27 f 24.141  7.7585  75.504     51.565   37.654     131.174  82.422     56.079   26.709  11.415  25.135  8.0925  1.573776       13.99215 
1 1 1 -17 -31 28 o 75.696  4.2413  712.925    77.586   765.369    128.344  682.724    97.397   76.866  6.9568  73.447  5.5053  3.418892       8.871564 
1 1 1 -17 -31 29 o 69.958  7.5272  642.117    125.761  642.117    125.761  0.0000     0.0000   69.958  7.5272  ?       ?       0.000000       7.527170 
1 1 1 -17 -31 30 o 104.102 6.8168  1398.35    171.236  1398.35    171.236  0.0000     0.0000   104.102 6.8168  ?       ?       0.000000       6.816759 
1 1 1 -17 -31 31 o 58.327  5.7324  434.048    80.081   515.067    111.809  348.709    114.751  62.536  7.5193  49.938  9.8203  12.59822       12.36843 
1 1 1 -17 -31 32 o 13.477  6.1741  -27.3102   45.583   -79.4535   80.219   -2.4445    55.396   16.196  7.6689  16.748  7.2888  -0.5512753     10.58013 
1 1 1 -17 -31 33 o 23.937  6.6682  76.002     40.168   147.538    97.087   61.228     44.121   32.389  10.663  21.930  7.1865  10.45897       12.85846 
1 1 1 -17 -31 34 o 22.707  6.7013  67.869     39.458   144.113    91.061   50.244     43.782   32.005  10.313  20.462  7.1554  11.54273       12.55206 
1 1 1 -17 -31 35 o 117.904 4.1175  1726.81    117.795  1990.14    193.038  1570.57    148.687  124.381 6.4181  111.429 5.4993  12.95219       8.451887 
1 1 1 -17 -31 36 o 100.959 4.0622  1265.87    99.510   1482.18    169.388  1151.87    122.965  107.120 6.5485  95.380  5.3346  11.73940       8.446365 
1 1 1 -17 -31 37 o 62.897  4.2404  494.577    64.337   498.731    122.047  492.978    75.710   60.572  8.5411  62.417  5.0421  -1.844814      9.918350 
1 1 1 -17 -31 38 o 10.055  4.7767  -37.1380   31.628   -24.1377   93.576   -38.8147   33.605   20.088  9.0616  10.390  4.9325  9.697194       10.31706 
1 1 1 -17 -31 39 o 7.6280  3.8370  -96.5123   32.084   -76.4556   121.616  -98.0127   33.263   20.762  9.7084  7.8239  3.9319  12.93760       10.47441 
1 1 1 -17 -31 40 o 56.843  6.4842  421.477    87.833   590.947    161.330  350.082    104.713  63.878  10.793  50.243  8.9159  13.63547       13.99963 
1 1 1 -17 -31 41 o 66.607  7.4485  590.187    118.319  0.0000     0.0000   590.187    118.319  ?       ?       66.607  7.4485  0.000000       7.448545 
1 1 1 -17 -31 42 o 44.000  5.8299  251.225    60.708   0.0000     0.0000   251.225    60.708   ?       ?       44.000  5.8299  0.000000       5.829862 
1 1 1 -17 -31 43 o 28.242  7.4597  109.437    51.879   0.0000     0.0000   109.437    51.879   ?       ?       28.242  7.4597  0.000000       7.459655 
1 1 1 -17 -31 44 o 25.466  6.9362  88.077     44.019   38.404     110.055  97.537     48.029   24.514  10.465  26.703  7.2335  -2.189762      12.72197 
1 1 1 -17 -31 45 o 23.322  6.9501  73.296     42.282   38.793     87.345   83.855     48.321   22.743  9.4949  24.800  7.4389  -2.056765      12.06191 
1 1 1 -17 -31 46 o 52.466  6.6794  366.142    83.103   187.277    154.981  438.326    98.454   34.401  13.213  57.010  7.2839  -22.60888      15.08793 
1 1 1 -17 -31 47 o 35.030  7.9587  172.720    66.109   220.030    123.337  153.649    78.308   36.818  12.013  32.274  9.4166  4.543736       15.26392 
1 1 1 -17 -31 48 o 21.279  7.9764  53.717     55.660   263.548    121.179  -2.3901    62.662   40.249  11.706  17.345  7.6443  22.90404       13.98052 
1 1 1 -17 -31 49 o 26.396  6.8978  96.730     44.669   91.062     92.912   98.434     50.942   26.277  10.193  26.420  7.5625  -0.1423740     12.69203 
1 1 1 -17 -31 50 o 60.426  4.6121  467.234    67.112   485.866    123.107  459.356    80.054   57.640  9.1046  59.163  5.6451  -1.523220      10.71262 
1 1 1 -17 -31 51 o 23.408  7.2916  76.534     45.864   76.784     94.733   76.458     52.416   24.993  10.099  23.446  7.8395  1.547001       12.78436 
1 1 1 -17 -31 52 o 33.287  6.6313  153.474    51.678   76.141     101.980  180.195    59.945   25.083  10.348  35.795  7.1521  -10.71129      12.57869 
1 1 1 -17 -31 53 o 22.359  8.0785  67.747     56.222   170.117    120.325  39.155     63.591   31.396  11.736  20.100  8.2170  11.29661       14.32650 
1 1 1 -17 -31 54 o 35.563  7.5661  182.819    63.281   124.617    130.468  200.723    72.363   28.282  11.689  36.703  8.3178  -8.421450      14.34606 
1 1 1 -17 -31 55 o 11.477  5.5299  -58.7161   45.786   -88.6021   115.510  -53.1452   49.871   18.538  8.8944  12.401  5.9213  6.137396       10.68515 
1 1 1 -17 -31 56 o 26.561  9.2439  108.781    73.029   63.250     149.353  123.087    83.720   25.665  11.524  27.790  9.8787  -2.125462      15.17877 
1 1 1 -17 -31 57 o 31.449  9.5144  158.831    78.799   232.825    159.101  134.780    90.706   33.715  13.263  28.694  10.274  5.020535       16.77686 
1 1 1 -17 -31 58 o 21.531  8.0985  61.019     57.472   52.755     133.124  62.912     63.715   24.638  10.984  21.993  8.4660  2.645325       13.86830 
1 1 1 -17 -31 59 o 20.506  7.9255  51.270     56.015   88.916     137.376  43.762     61.346   26.440  11.493  20.171  8.1349  6.268860       14.08034 
1 1 1 -17 -31 60 o 23.460  8.1536  79.244     56.809   7.7388     140.371  93.249     62.124   23.242  10.716  25.026  8.5338  -1.784855      13.69899 
1 1 1 -17 -31 61 o 18.650  8.5320  -13.6322   86.615   -22.1269   318.220  -12.9525   90.014   27.725  13.625  18.980  8.6884  8.744884       16.15932 
1 1 1 -17 -31 62 o 22.240  11.250  -454.4810  300.733  -454.4810  300.733  0.0000     0.0000   22.240  11.250  ?       ?       0.000000       11.25040 
1 1 1 -17 -31 63 o 27.532  10.599  130.743    99.868   557.684    345.572  91.836     104.320  36.116  16.709  24.948  10.393  11.16767       19.67723 
1 1 1 -17 -30 1  o 16.199  5.6737  30.783     27.533   16.953     75.286   32.918     29.582   20.219  8.6445  16.731  5.8799  3.487423       10.45468 
1 1 1 -17 -30 2  o 19.111  5.9515  47.202     30.557   160.563    94.377   33.928     32.296   32.982  10.486  17.168  6.1321  15.81347       12.14696 
1 1 1 -17 -30 3  o 13.305  5.5224  7.6011     29.304   147.413    80.173   -13.9576   31.482   32.030  9.5760  11.635  5.2517  20.39525       10.92152 
1 1 1 -17 -30 4  o 50.950  4.1328  325.404    50.652   372.746    101.919  309.876    58.370   52.193  8.3277  49.375  4.9384  2.818279       9.681834 
1 1 1 -17 -30 5  o 45.036  4.2586  254.983    45.984   411.580    94.674   206.635    52.605   55.735  7.1667  39.997  5.5717  15.73779       9.077761 
1 1 1 -17 -30 6  o 32.373  4.8180  134.114    36.693   84.217     88.794   144.389    40.294   26.505  10.044  33.508  5.1184  -7.002403      11.27296 
1 1 1 -17 -30 7  o 53.772  4.1539  361.673    53.777   402.349    109.458  348.731    61.742   54.256  8.6013  52.488  4.9048  1.768890       9.901520 
1 1 1 -17 -30 8  o 50.221  3.9879  314.840    48.194   264.928    86.083   337.627    58.164   44.009  8.3672  51.748  4.6831  -7.738358      9.588624 
1 1 1 -17 -30 9  f 35.199  4.7296  157.550    39.372   85.171     72.504   187.820    46.887   25.907  9.1949  38.320  5.1751  -12.41283      10.55115 
1 1 1 -17 -30 10 o 68.524  3.7927  582.695    62.815   561.385    108.385  593.473    77.080   65.595  6.9140  68.776  4.6462  -3.181770      8.330082 
1 1 1 -17 -30 11 o 48.172  4.1136  289.915    47.620   215.607    84.620   324.353    57.608   39.370  9.0479  50.742  4.7336  -11.37166      10.21136 
1 1 1 -17 -30 12 o 97.316  3.8345  1171.26    90.544   1159.62    147.950  1178.23    114.487  95.003  6.4565  96.922  4.8839  -1.918999      8.095633 
1 1 1 -17 -30 13 o 76.533  3.7467  723.456    69.576   690.353    116.137  741.987    86.896   73.154  6.6144  77.000  4.6731  -3.845757      8.098680 
1 1 1 -17 -30 14 o 80.510  5.7456  822.563    111.504  860.732    189.518  802.355    137.898  78.904  10.133  78.448  7.3295  0.4562683      12.50595 
1 1 1 -17 -30 15 f 55.177  6.2746  391.341    82.511   324.853    145.127  423.098    100.299  46.549  12.559  56.765  7.4628  -10.21640      14.60911 
1 1 1 -17 -30 16 o 87.721  5.6857  973.239    120.365  883.381    197.863  1026.03    151.654  79.846  10.465  89.102  7.0727  -9.256012      12.63075 
1 1 1 -17 -30 17 o 49.410  6.6576  316.181    77.786   354.723    134.963  297.010    95.187   49.617  11.444  46.872  8.6895  2.745090       14.36909 
1 1 1 -17 -30 18 o 47.584  4.2780  282.584    48.865   239.792    86.726   302.488    59.147   41.987  8.7945  48.983  5.0488  -6.996586      10.14074 
1 1 1 -17 -30 19 o 112.452 3.9589  1561.37    108.021  1400.63    170.092  1670.01    139.841  104.609 6.7370  115.712 4.9807  -11.10276      8.378222 
1 1 1 -17 -30 20 f 108.454 3.8792  1451.00    102.083  1507.96    161.176  1412.85    131.915  109.084 6.1141  106.374 5.1109  2.709442       7.968851 
1 1 1 -17 -30 21 o 74.310  3.8207  682.434    68.656   733.439    112.481  652.148    86.675   75.960  6.1558  72.177  4.9796  3.782898       7.917737 
1 1 1 -17 -30 22 o 52.765  4.6152  348.100    58.494   404.148    101.733  320.419    71.494   55.480  7.7703  50.097  6.0010  5.382961       9.817786 
1 1 1 -17 -30 23 o 27.253  7.1031  98.512     47.448   120.698    83.854   88.063     57.547   30.120  9.9092  25.974  8.1803  4.146700       12.84945 
1 1 1 -17 -30 24 o 30.275  9.1990  123.713    73.546   165.964    128.862  103.301    89.566   34.864  12.271  28.707  10.216  6.157330       15.96688 
1 1 1 -17 -30 25 o 52.540  7.2084  359.270    89.473   356.256    153.059  360.834    110.277  49.094  12.739  51.652  9.1330  -2.558483      15.67465 
1 1 1 -17 -30 26 f 79.870  6.0439  809.095    116.261  950.958    193.846  729.396    145.293  83.903  9.7006  74.495  8.1723  9.407616       12.68412 
1 1 1 -17 -30 27 o 114.237 5.9587  1649.76    164.594  1502.35    262.342  1745.45    211.372  104.743 10.462  116.123 7.5427  -11.37983      12.89773 
1 1 1 -17 -30 28 o 112.202 6.6126  1607.36    179.231  1607.36    179.231  0.0000     0.0000   112.202 6.6126  ?       ?       0.000000       6.612619 
1 1 1 -17 -30 29 o 44.977  9.5083  278.645    100.521  278.645    100.521  0.0000     0.0000   44.977  9.5083  ?       ?       0.000000       9.508267 
1 1 1 -17 -30 30 o 56.530  5.5107  404.782    74.627   407.104    106.542  402.545    104.562  55.355  8.1786  55.108  8.0579  0.2470703      11.48121 
1 1 1 -17 -30 31 o 91.075  4.1590  1027.04    91.908   1186.84    149.462  929.873    116.547  96.382  6.4279  85.779  5.6308  10.60227       8.545439 
1 1 1 -17 -30 32 o 52.246  4.4585  341.444    55.980   432.701    111.246  310.501    64.779   56.942  8.2955  49.420  5.4953  7.521793       9.950537 
1 1 1 -17 -30 33 o 82.273  3.9985  837.554    79.822   936.143    142.055  792.062    96.496   85.094  6.9405  79.412  5.0340  5.682343       8.573889 
1 1 1 -17 -30 34 o 76.610  4.0231  728.606    74.522   769.141    134.404  710.613    89.547   76.778  7.3025  75.228  4.9331  1.550056       8.812623 
1 1 1 -17 -30 35 o 97.260  3.9971  1171.59    94.329   1420.37    159.592  1038.01    116.943  105.370 6.2704  90.685  5.3382  14.68439       8.234952 
1 1 1 -17 -30 36 o 44.019  4.9166  245.365    51.617   460.539    108.910  183.031    58.618   58.868  7.8182  37.250  6.7333  21.61763       10.31805 
1 1 1 -17 -30 37 o 63.517  4.2872  503.854    65.687   661.551    125.661  444.562    77.053   70.929  7.4109  59.134  5.4309  11.79538       9.187815 
1 1 1 -17 -30 38 o 40.000  5.2050  204.395    49.321   325.453    108.703  173.013    55.346   48.158  9.6392  36.234  6.5356  11.92399       11.64597 
1 1 1 -17 -30 39 o 33.249  8.0434  151.596    64.184   215.289    143.006  135.529    71.824   37.625  12.945  31.183  8.9954  6.441988       15.76321 
1 1 1 -17 -30 40 o 40.101  8.3987  221.124    79.103   0.0000     0.0000   221.124    79.103   ?       ?       40.101  8.3987  0.000000       8.398724 
1 1 1 -17 -30 41 o 27.699  8.7003  104.713    65.144   0.0000     0.0000   104.713    65.144   ?       ?       27.699  8.7003  0.000000       8.700269 
1 1 1 -17 -30 42 o 39.616  6.1152  204.967    56.889   0.0000     0.0000   204.967    56.889   ?       ?       39.616  6.1152  0.000000       6.115218 
1 1 1 -17 -30 43 o 47.449  5.1699  287.395    58.558   476.473    123.686  232.769    66.481   58.679  8.9722  41.915  6.7673  16.76334       11.23817 
1 1 1 -17 -30 44 o 7.3883  3.7266  -99.8219   31.417   -46.4426   72.627   -112.1101  34.846   16.460  7.6308  7.7332  3.9035  8.726290       8.571217 
1 1 1 -17 -30 45 o 12.791  5.7983  -17.9930   38.861   52.860     78.107   -41.3019   44.799   23.153  9.2341  12.424  5.8360  10.72891       10.92375 
1 1 1 -17 -30 46 o 21.542  7.9443  54.680     54.770   114.459    116.567  37.744     62.046   29.462  11.420  20.512  8.2133  8.949850       14.06691 
1 1 1 -17 -30 47 o 21.516  7.9423  55.011     54.769   69.985     117.916  50.891     61.845   26.582  11.059  21.614  8.3350  4.967810       13.84849 
1 1 1 -17 -30 48 o 42.271  7.2609  243.729    71.789   225.633    143.949  249.720    82.824   36.742  12.965  42.035  8.4140  -5.292824      15.45596 
1 1 1 -17 -30 49 o 35.954  6.0741  172.320    51.102   289.931    99.370   130.034    59.584   44.344  9.5200  30.237  7.9981  14.10642       12.43384 
1 1 1 -17 -30 50 o 37.101  5.8880  182.989    51.234   173.580    102.082  186.157    59.235   33.134  10.935  36.873  6.8737  -3.738785      12.91576 
1 1 1 -17 -30 51 o 42.918  5.4078  241.493    55.065   368.276    108.152  197.127    63.978   49.949  9.2648  37.621  7.2719  12.32837       11.77780 
1 1 1 -17 -30 52 o 15.927  6.6397  14.729     42.626   16.018     92.106   14.377     48.086   21.120  9.2894  16.603  6.9953  4.516205       11.62874 
1 1 1 -17 -30 53 o ?       ?       -154.3228  31.435   -177.3439  79.141   -150.0103  34.254   12.703  6.3372  ?       ?       0.000000       6.337165 
1 1 1 -17 -30 54 o 50.314  6.0417  340.699    72.283   473.527    142.266  294.478    83.923   53.508  11.312  45.198  7.9422  8.309895       13.82130 
1 1 1 -17 -30 55 o 46.060  6.4841  291.153    70.460   626.844    145.612  188.523    80.513   63.744  9.7221  34.708  9.3503  29.03590       13.48876 
1 1 1 -17 -30 56 o 41.770  9.1108  267.509    89.739   293.286    166.195  256.901    106.618  37.357  13.826  39.001  10.863  -1.643581      17.58356 
1 1 1 -17 -30 57 o 24.349  9.2774  83.531     76.019   306.125    164.402  22.995     85.735   38.184  13.812  20.613  9.0168  17.57146       16.49428 
1 1 1 -17 -30 58 o 16.131  7.0214  5.5063     51.420   -104.6503  143.090  21.841     55.100   20.218  9.7498  17.833  7.4993  2.385513       12.30038 
1 1 1 -17 -30 59 o 24.562  8.3633  87.998     59.666   -46.4740   139.390  118.164    66.020   21.604  10.193  27.839  8.7609  -6.234888      13.44052 
1 1 1 -17 -30 60 f 28.233  8.2338  119.547    59.884   168.374    143.569  109.263    65.889   30.739  12.428  26.840  8.7816  3.899242       15.21746 
1 1 1 -17 -30 61 o 30.813  10.786  161.352    99.498   64.102     360.659  169.363    103.515  29.873  14.645  31.343  11.000  -1.470461      18.31574 
1 1 1 -17 -30 62 o 28.662  10.580  137.396    97.198   98.663     338.526  140.876    101.470  29.641  14.457  28.875  10.780  0.7662373      18.03387 
1 1 1 -17 -30 63 f 26.296  10.143  110.751    91.603   -390.1325  341.557  149.571    95.087   23.837  12.052  29.375  10.519  -5.538139      15.99651 
1 1 1 -17 -29 1  o 63.837  5.1479  518.312    79.060   616.523    145.317  477.021    94.225   66.482  9.2599  60.388  6.5348  6.093288       11.33354 
1 1 1 -17 -29 2  o 20.675  5.9798  56.097     31.702   157.782    80.381   37.366     34.499   33.243  9.4940  17.921  6.3445  15.32248       11.41875 
1 1 1 -17 -29 3  o 48.830  4.0980  298.461    48.105   292.670    100.289  300.192    54.823   45.603  9.3766  48.743  4.6934  -3.139912      10.48567 
1 1 1 -17 -29 4  o 48.146  4.0884  289.971    47.310   316.070    92.458   280.715    55.065   48.257  8.1889  47.062  4.8937  1.195438       9.539780 
1 1 1 -17 -29 5  o 30.698  4.9531  120.971    35.638   130.661    79.938   118.568    39.813   30.607  9.6416  30.153  5.6494  0.4540691      11.17477 
1 1 1 -17 -29 6  o 25.419  5.8193  85.090     35.117   149.864    86.834   72.424     38.397   32.550  10.016  23.379  6.5219  9.170506       11.95187 
1 1 1 -17 -29 7  o 87.626  3.7730  949.651    80.220   968.154    134.129  939.347    100.095  86.727  6.4195  86.530  4.7860  0.1972656      8.007226 
1 1 1 -17 -29 8  o 20.842  6.5883  55.594     37.300   66.857     61.606   49.076     46.867   23.579  8.4643  20.579  7.3832  2.999969       11.23188 
1 1 1 -17 -29 9  o 21.687  5.8779  61.610     31.703   51.471     60.065   65.525     37.326   21.936  8.2733  22.362  6.4945  -0.4258003     10.51792 
1 1 1 -17 -29 10 o 33.272  4.8322  140.831    37.870   206.775    69.847   113.376    45.069   39.337  7.5929  29.277  6.5125  10.05931       10.00322 
1 1 1 -17 -29 11 o 25.551  5.6872  85.309     34.351   -5.3964    64.781   120.791    40.516   17.900  7.8337  30.520  5.6803  -12.62020      9.676409 
1 1 1 -17 -29 12 o 34.765  4.7657  153.111    39.143   136.266    70.856   160.509    46.958   31.560  8.8793  35.316  5.6719  -3.756376      10.53625 
1 1 1 -17 -29 13 o 23.285  5.9277  70.982     33.578   4.6503     62.063   98.434     39.926   18.272  7.8313  27.393  6.1569  -9.120546      9.961785 
1 1 1 -17 -29 14 o 121.226 3.9873  1814.44    117.283  1841.87    184.673  1795.91    151.834  120.402 6.3436  119.863 5.2206  0.5393829      8.215609 
1 1 1 -17 -29 15 o 50.968  6.4245  333.624    77.685   461.632    136.625  272.463    94.438   58.002  10.073  44.828  8.9950  13.17400       13.50487 
1 1 1 -17 -29 16 o 22.579  8.0506  59.248     55.643   102.003    110.499  44.724     64.404   29.644  11.211  21.865  8.4850  7.778614       14.06028 
1 1 1 -17 -29 17 o 68.976  5.8287  601.178    96.638   495.360    159.414  662.657    121.510  59.305  11.493  71.788  7.0675  -12.48273      13.49238 
1 1 1 -17 -29 18 o 149.275 6.2503  2810.09    226.386  2743.47    343.157  2861.43    301.239  143.156 9.9407  148.181 8.4130  -5.024246      13.02292 
1 1 1 -17 -29 19 o 73.547  3.8126  667.426    67.805   747.743    111.924  620.859    85.224   76.911  6.0462  70.497  5.0150  6.414444       7.855389 
1 1 1 -17 -29 20 o 45.532  4.3745  258.447    47.735   351.743    83.927   213.835    58.036   52.308  6.7715  40.869  6.0339  11.43864       9.069775 
1 1 1 -17 -29 21 o 38.397  4.8001  185.495    43.744   143.536    75.691   206.538    53.602   32.572  9.1818  40.291  5.6373  -7.718536      10.77427 
1 1 1 -17 -29 22 o 43.767  5.0155  240.884    52.301   264.661    84.398   226.061    66.639   44.754  8.0689  41.775  6.8088  2.978901       10.55780 
1 1 1 -17 -29 23 o 39.607  5.6525  199.705    52.782   338.897    90.416   127.750    65.008   51.024  7.5294  30.882  8.4365  20.14194       11.30782 
1 1 1 -17 -29 24 o 40.810  5.6077  211.668    54.062   274.046    96.373   183.026    65.304   45.087  9.1226  37.266  7.4820  7.820614       11.79842 
1 1 1 -17 -29 25 o 35.175  8.9267  167.561    76.316   188.092    137.609  158.441    91.711   36.963  12.699  34.056  10.256  2.907509       16.32309 
1 1 1 -17 -29 26 o 43.787  8.1100  253.980    82.992   214.030    148.237  272.219    100.161  38.922  13.183  44.725  9.5218  -5.803020      16.26186 
1 1 1 -17 -29 27 o 78.862  10.807  851.448    201.346  851.448    201.346  0.0000     0.0000   78.862  10.807  ?       ?       0.000000       10.80657 
1 1 1 -17 -29 28 o 139.278 10.141  2606.38    340.345  2606.38    340.345  0.0000     0.0000   139.278 10.141  ?       ?       0.000000       10.14063 
1 1 1 -17 -29 29 o 65.910  4.5259  540.481    71.942   461.017    117.182  588.551    91.141   59.076  8.4127  68.377  5.5410  -9.301682      10.07349 
1 1 1 -17 -29 30 o 27.419  7.1592  99.585     48.145   83.930     89.694   105.921    57.062   27.136  10.135  28.195  7.9808  -1.058887      12.89976 
1 1 1 -17 -29 31 o 52.250  4.3602  340.184    54.774   412.741    107.389  314.672    63.680   55.903  8.1573  49.910  5.3412  5.992519       9.750381 
1 1 1 -17 -29 32 o 117.144 4.0271  1694.71    114.467  1943.91    185.190  1540.64    145.614  124.011 6.1545  110.908 5.4110  13.10295       8.194924 
1 1 1 -17 -29 33 o 11.548  5.2238  -15.6783   31.344   35.354     83.289   -24.0983   33.831   22.830  9.3767  11.444  5.2710  11.38539       10.75669 
1 1 1 -17 -29 34 o 40.024  5.0696  203.056    48.130   221.102    101.740  197.853    54.629   39.507  10.452  39.200  5.9286  0.3067818      12.01617 
1 1 1 -17 -29 35 o 29.186  6.2531  111.915    42.950   193.372    97.493   92.299     47.843   36.930  10.424  26.323  7.2567  10.60746       12.70140 
1 1 1 -17 -29 36 o 27.662  6.4595  101.230    42.570   209.537    99.606   77.026     47.087   38.343  10.430  24.217  7.3611  14.12653       12.76573 
1 1 1 -17 -29 37 o 22.036  6.6764  63.120     38.781   90.195     93.651   57.516     42.606   27.538  10.342  21.397  7.0645  6.141487       12.52436 
1 1 1 -17 -29 38 o 16.548  6.4755  23.155     37.752   24.009     95.876   22.999     41.070   23.063  9.8051  16.978  6.7197  6.085211       11.88672 
1 1 1 -17 -29 39 o 80.796  4.9158  820.378    95.913   0.0000     0.0000   820.378    95.913   ?       ?       80.796  4.9158  0.000000       4.915816 
1 1 1 -17 -29 40 f 21.306  8.2526  44.776     60.838   0.0000     0.0000   44.776     60.838   ?       ?       21.306  8.2526  0.000000       8.252609 
1 1 1 -17 -29 41 o 32.339  8.8267  145.516    71.197   0.0000     0.0000   145.516    71.197   ?       ?       32.339  8.8267  0.000000       8.826656 
1 1 1 -17 -29 42 o 44.017  7.0188  256.376    72.444   194.443    146.043  276.589    83.433   36.157  13.027  45.290  7.8783  -9.132935      15.22369 
1 1 1 -17 -29 43 o 40.333  5.2012  208.115    49.715   51.690     93.911   269.023    58.600   24.476  9.9935  45.859  5.3679  -21.38294      11.34393 
1 1 1 -17 -29 44 o 93.449  4.1427  1087.02    93.934   1212.69    157.172  1017.18    117.160  96.508  6.7545  89.450  5.4236  7.058418       8.662508 
1 1 1 -17 -29 45 o 63.960  4.3750  513.410    67.489   476.441    116.538  532.065    82.783   59.112  8.3581  64.605  5.3285  -5.492752      9.912164 
1 1 1 -17 -29 46 o 26.964  6.9057  98.562     45.379   75.399     88.956   106.709    52.760   25.638  9.9657  27.872  7.5945  -2.233471      12.52962 
1 1 1 -17 -29 47 o 33.382  8.3506  156.766    67.469   85.061     132.321  181.958    78.430   28.348  11.748  35.634  9.0530  -7.286016      14.83155 
1 1 1 -17 -29 48 o 77.819  6.0255  787.263    112.887  617.104    203.926  862.445    135.551  60.366  14.166  80.545  7.0057  -20.17885      15.80369 
1 1 1 -17 -29 49 o 35.375  6.1711  166.707    51.043   253.279    101.470  137.380    59.059   41.000  10.232  31.280  7.8063  9.719828       12.87006 
1 1 1 -17 -29 50 o 35.362  6.1827  167.274    51.117   314.102    104.208  120.750    58.659   46.134  9.6208  29.138  8.0363  16.99584       12.53566 
1 1 1 -17 -29 51 o 56.970  4.8740  416.712    66.726   345.829    126.910  443.793    78.444   46.533  11.343  58.292  5.6156  -11.75890      12.65707 
1 1 1 -17 -29 52 o 32.777  6.7017  147.782    51.501   130.575    108.564  152.778    58.502   29.400  11.114  32.883  7.4985  -3.483418      13.40735 
1 1 1 -17 -29 53 o 44.151  5.4654  256.651    57.298   248.481    117.155  259.220    65.691   38.354  11.601  43.785  6.3701  -5.431152      13.23449 
1 1 1 -17 -29 54 o 48.422  6.1912  315.938    71.075   174.779    149.578  357.105    80.777   31.767  12.741  51.121  6.6712  -19.35424      14.38170 
1 1 1 -17 -29 55 f 56.682  5.7053  426.895    77.400   569.523    165.943  387.237    87.502   57.542  12.261  52.855  6.9947  4.686878       14.11548 
1 1 1 -17 -29 56 o 53.625  7.6795  409.556    97.070   607.718    170.109  313.872    118.205  59.356  12.219  43.162  11.193  16.19405       16.57008 
1 1 1 -17 -29 57 o 30.637  10.326  153.284    90.941   0.0000     0.0000   153.284    90.941   ?       ?       30.637  10.326  0.000000       10.32567 
1 1 1 -17 -29 58 o 25.573  9.4372  95.916     77.316   211.039    172.720  67.067     86.463   32.892  13.505  23.565  9.6017  9.326618       16.57075 
1 1 1 -17 -29 59 o 19.340  7.7947  37.391     56.284   159.005    148.620  17.029     60.814   30.476  12.522  18.117  7.7581  12.35959       14.73089 
1 1 1 -17 -29 60 o 39.670  7.3660  223.576    68.291   347.168    171.998  200.447    74.407   40.764  14.186  36.590  8.5370  4.174339       16.55699 
1 1 1 -17 -29 61 o 25.854  12.933  -276.6986  339.711  -276.6986  339.711  0.0000     0.0000   25.854  12.933  ?       ?       0.000000       12.93257 
1 1 1 -17 -29 62 o 19.470  8.8142  -3.3963    89.457   250.529    331.744  -23.3084   92.898   32.597  15.481  18.865  8.7050  13.73187       17.76074 
1 1 1 -17 -29 63 f 17.163  8.2294  -79.8464   98.526   -428.5874  316.090  -42.3168   103.692  23.073  11.659  18.880  8.8717  4.193253       14.65077 
1 1 1 -17 -28 1  o 31.947  6.0158  133.985    44.921   46.476     98.165   157.164    50.521   24.459  10.126  34.568  6.2535  -10.10892      11.90157 
1 1 1 -17 -28 2  o 24.932  6.5512  82.859     40.149   43.503     95.727   91.260     44.227   24.136  9.9966  26.090  6.8857  -1.954382      12.13859 
1 1 1 -17 -28 3  o 31.944  4.9338  130.618    37.009   145.617    85.280   127.138    41.079   32.159  9.9306  31.278  5.6194  0.8814068      11.41028 
1 1 1 -17 -28 4  o 41.391  4.3209  215.220    42.756   280.274    86.928   194.459    49.107   45.530  8.1687  38.975  5.3326  6.555431       9.755215 
1 1 1 -17 -28 5  o 125.452 4.1068  1951.94    125.009  1997.83    202.257  1923.58    159.020  124.513 6.7195  123.643 5.3005  0.8704987      8.558418 
1 1 1 -17 -28 6  f 96.206  3.8394  1144.18    89.624   1031.33    147.456  1210.29    112.865  89.326  6.8556  98.478  4.7234  -9.151848      8.325295 
1 1 1 -17 -28 7  o 35.009  4.6140  155.035    38.239   131.534    72.058   164.247    45.116   30.947  9.0340  35.809  5.3570  -4.862593      10.50294 
1 1 1 -17 -28 8  o 70.220  4.5282  615.315    76.741   581.650    110.100  647.122    107.021  67.076  6.8614  71.136  6.2643  -4.060204      9.290863 
1 1 1 -17 -28 9  o 63.317  3.7741  496.099    57.719   547.330    99.116   469.812    71.000   65.402  6.3248  61.235  4.8174  4.167091       7.950553 
1 1 1 -17 -28 10 o 52.572  3.9224  342.870    49.674   327.237    87.617   350.276    60.302   49.960  7.4560  52.871  4.7513  -2.911140      8.841204 
1 1 1 -17 -28 11 o 79.737  3.7484  783.062    72.522   694.638    120.986  832.653    90.604   73.551  6.8583  81.802  4.5833  -8.250214      8.248834 
1 1 1 -17 -28 12 o 32.294  4.9041  132.389    37.219   104.929    67.447   144.412    44.630   28.196  8.8522  33.521  5.6906  -5.325279      10.52346 
1 1 1 -17 -28 13 o 46.315  4.1187  266.660    45.803   315.043    80.045   243.106    55.851   49.398  6.8637  43.837  5.3626  5.561256       8.710189 
1 1 1 -17 -28 14 o 20.718  6.1933  54.826     33.536   24.161     62.681   67.124     39.696   19.961  8.1590  22.797  6.7196  -2.835947      10.56985 
1 1 1 -17 -28 15 o 56.895  3.9470  400.325    54.152   323.199    91.908   441.337    67.021   49.669  7.8900  59.529  4.6777  -9.859509      9.172368 
1 1 1 -17 -28 16 o 20.292  7.8773  36.538     55.524   51.751     106.218  30.818     65.131   26.159  10.648  20.829  8.3885  5.329706       13.55569 
1 1 1 -17 -28 17 o 97.037  5.6224  1178.38    131.813  1081.58    207.727  1243.62    170.546  90.354  9.6232  98.770  7.1650  -8.415886      11.99765 
1 1 1 -17 -28 18 o 41.786  7.4760  227.952    73.016   362.394    128.632  164.040    88.690   51.391  10.665  34.760  9.9868  16.63118       14.61085 
1 1 1 -17 -28 19 o 84.736  5.6351  898.616    115.200  995.256    187.332  839.846    146.087  87.219  8.9803  80.946  7.5240  6.272362       11.71566 
1 1 1 -17 -28 20 o 115.184 3.9421  1630.95    110.175  1520.35    171.569  1708.56    143.725  109.831 6.4665  117.403 5.0453  -7.572220      8.201925 
1 1 1 -17 -28 21 f 61.530  3.9796  467.324    59.097   264.835    98.809   580.098    73.739   44.351  9.4699  68.435  4.4652  -24.08468      10.46981 
1 1 1 -17 -28 22 o 19.264  6.3895  44.666     34.838   -22.5823   66.575   70.025     40.882   17.287  7.7329  23.319  6.8040  -6.032364      10.30005 
1 1 1 -17 -28 23 o 15.527  6.5274  6.0581     41.717   28.964     77.729   -3.2095    49.442   22.104  9.0661  15.998  6.9242  6.105354       11.40778 
1 1 1 -17 -28 24 o 62.057  4.5500  477.797    68.034   430.121    108.752  508.454    87.207   57.546  8.0054  63.633  5.7089  -6.086819      9.832521 
1 1 1 -17 -28 25 o 127.854 4.2348  2013.53    131.376  1790.40    203.126  2173.98    172.254  118.784 7.0798  132.248 5.3681  -13.46407      8.884805 
1 1 1 -17 -28 26 o 67.868  11.476  633.423    182.239  633.423    182.239  0.0000     0.0000   67.868  11.476  ?       ?       0.000000       11.47560 
1 1 1 -17 -28 27 o 34.316  12.800  143.877    142.990  143.877    142.990  0.0000     0.0000   34.316  12.800  ?       ?       0.000000       12.80011 
1 1 1 -17 -28 28 o 107.216 5.8937  1441.92    152.737  1270.53    253.712  1539.33    191.282  96.806  10.996  109.905 7.2129  -13.09912      13.15092 
1 1 1 -17 -28 29 o 16.531  6.8311  12.236     44.553   55.413     86.541   -3.3352    51.969   24.826  9.7769  16.355  7.0889  8.470051       12.07640 
1 1 1 -17 -28 30 f 57.851  4.2096  414.868    58.685   469.600    112.992  394.651    68.674   60.026  7.9538  56.138  5.0972  3.888039       9.446932 
1 1 1 -17 -28 31 o 27.894  6.1222  101.358    40.299   79.021     91.110   106.791    44.934   26.934  10.182  28.532  6.6187  -1.598528      12.14402 
1 1 1 -17 -28 32 o 43.762  4.7181  240.062    49.306   272.557    101.435  230.009    56.421   44.655  9.6438  42.548  5.6012  2.107006       11.15241 
1 1 1 -17 -28 33 o 29.558  5.8073  113.147    40.163   -14.4987   89.928   144.952    44.889   20.565  9.1059  33.581  5.7137  -13.01593      10.75004 
1 1 1 -17 -28 34 o 81.743  4.0132  824.649    79.598   971.960    142.274  757.531    96.035   87.159  6.7808  77.781  5.1171  9.378693       8.494924 
1 1 1 -17 -28 35 o 54.056  4.5012  364.797    58.502   477.471    117.485  327.648    67.460   60.056  8.2828  50.832  5.5602  9.224281       9.976040 
1 1 1 -17 -28 36 o 63.431  4.2647  500.448    65.257   697.845    127.169  429.888    76.030   73.372  7.2374  58.316  5.4358  15.05561       9.051422 
1 1 1 -17 -28 37 o 71.440  4.1782  634.064    72.110   786.715    133.257  570.854    85.750   77.940  7.1253  67.294  5.2944  10.64529       8.876904 
1 1 1 -17 -28 38 o 34.426  6.1027  154.215    49.111   0.0000     0.0000   154.215    49.111   ?       ?       34.426  6.1027  0.000000       6.102730 
1 1 1 -17 -28 39 o 94.338  5.0723  1117.77    115.680  0.0000     0.0000   1117.77    115.680  ?       ?       94.338  5.0723  0.000000       5.072305 
1 1 1 -17 -28 40 o 114.368 7.8734  1720.75    217.159  0.0000     0.0000   1720.75    217.159  ?       ?       114.368 7.8734  0.000000       7.873418 
1 1 1 -17 -28 41 o 47.364  7.0510  295.049    78.561   341.126    148.331  277.085    92.618   47.310  12.669  44.942  8.8084  2.368477       15.42997 
1 1 1 -17 -28 42 o 41.305  6.6857  224.005    64.716   219.907    108.014  226.299    80.831   38.804  10.979  40.654  8.4693  -1.849972      13.86607 
1 1 1 -17 -28 43 o 29.683  6.0135  115.802    41.828   77.921     77.315   131.476    49.734   25.499  9.4318  31.421  6.7264  -5.921736      11.58461 
1 1 1 -17 -28 44 f 18.619  6.8618  37.736     40.852   138.589    84.177   6.6635     46.723   31.390  9.8945  16.154  6.8554  15.23628       12.03737 
1 1 1 -17 -28 45 o 8.3013  4.1586  -98.6352   35.741   -120.5815  53.560   -81.0182   47.987   10.820  5.3669  11.207  5.4609  -0.3865757     7.656753 
1 1 1 -17 -28 46 o 30.089  6.5211  120.953    46.235   -3.1660    97.145   157.302    52.571   21.425  9.4764  34.412  6.5351  -12.98748      11.51126 
1 1 1 -17 -28 47 o 30.158  8.5546  127.474    65.489   128.640    129.098  127.070    75.993   31.027  12.021  29.978  9.3938  1.048948       15.25577 
1 1 1 -17 -28 48 o 70.869  5.9836  650.587    101.932  752.355    188.108  608.283    121.281  70.993  11.299  67.275  7.5607  3.717072       13.59517 
1 1 1 -17 -28 49 o 64.234  4.5569  521.903    70.562   691.141    132.415  454.787    83.388   71.346  7.7749  59.138  5.8897  12.20749       9.753856 
1 1 1 -17 -28 50 o 28.664  7.2162  113.688    50.156   45.183     102.911  135.029    57.439   24.101  10.198  31.069  7.6664  -6.967218      12.75841 
1 1 1 -17 -28 51 o 35.040  6.2964  164.875    51.565   43.336     106.627  201.977    58.912   24.087  10.293  38.753  6.4951  -14.66546      12.17070 
1 1 1 -17 -28 52 o 25.920  7.1975  93.817     46.876   162.508    102.092  75.466     52.768   32.169  10.940  23.515  7.8657  8.653755       13.47411 
1 1 1 -17 -28 53 o 30.027  7.1911  126.612    51.701   137.479    108.034  123.384    58.881   29.888  11.130  29.225  8.0479  0.6638241      13.73520 
1 1 1 -17 -28 54 o 29.601  8.4209  129.202    63.365   337.140    153.903  86.759     69.532   42.597  13.372  24.909  8.9864  17.68727       16.11069 
1 1 1 -17 -28 55 o 20.188  7.8962  45.533     56.114   178.686    140.184  20.128     61.233   32.056  12.496  18.489  7.8474  13.56706       14.75607 
1 1 1 -17 -28 56 o 49.263  6.8422  334.732    79.578   557.204    312.606  319.316    82.289   42.503  17.868  47.680  7.3490  -5.177212      19.32004 
1 1 1 -17 -28 57 o 22.564  9.2164  56.501     79.913   0.0000     0.0000   56.501     79.913   ?       ?       22.564  9.2164  0.000000       9.216419 
1 1 1 -17 -28 58 o 27.315  9.6359  113.676    79.510   126.904    184.950  110.678    88.063   29.575  13.079  27.077  10.056  2.497595       16.49769 
1 1 1 -17 -28 59 o 25.478  8.4890  94.922     61.469   141.642    152.162  85.811     67.196   29.804  12.494  24.564  8.8376  5.239956       15.30390 
1 1 1 -17 -28 60 o 21.433  7.8684  59.764     53.643   -249.7302  148.551  106.174    57.524   17.811  8.8519  26.871  8.1291  -9.059795      12.01826 
1 1 1 -17 -28 61 o 17.827  8.3080  -40.7379   87.871   112.337    354.125  -50.7811   90.707   31.316  15.160  17.709  8.3137  13.60777       17.29016 
1 1 1 -17 -28 62 o 21.320  9.5601  12.302     102.411  -237.3690  274.278  52.748     110.395  24.290  12.065  23.803  10.324  0.4872360      15.87924 
1 1 1 -17 -28 63 o 18.378  8.6278  -44.7684   97.687   -250.9790  255.013  -9.3051    105.754  23.074  11.489  20.423  9.3739  2.651751       14.82785 
1 1 1 -17 -27 1  o 30.208  6.2264  120.228    44.121   75.688     99.109   131.237    49.273   26.648  10.473  31.438  6.6662  -4.789814      12.41450 
1 1 1 -17 -27 2  o 35.069  6.0638  160.221    49.731   258.336    103.614  130.854    56.687   42.608  10.164  31.108  7.5797  11.50007       12.67938 
1 1 1 -17 -27 3  o 50.602  5.3806  325.388    65.050   320.866    125.596  327.046    76.045   47.017  11.174  50.287  6.3755  -3.269714      12.86478 
1 1 1 -17 -27 4  o 106.429 3.9057  1400.42    100.861  1512.09    167.721  1337.15    126.239  108.746 6.3844  103.360 5.0335  5.385239       8.130003 
1 1 1 -17 -27 5  o 54.293  4.5011  368.685    58.762   466.157    86.133   283.823    80.369   60.454  5.9490  46.403  7.3855  14.05088       9.483479 
1 1 1 -17 -27 6  o 77.993  3.6807  749.623    69.655   761.007    117.496  743.454    86.493   77.198  6.3283  77.191  4.6395  0.7019043E-02  7.846752 
1 1 1 -17 -27 7  o 111.269 3.9290  1528.00    106.077  1359.95    169.498  1636.20    136.004  103.038 6.8182  114.608 4.8907  -11.57007      8.390868 
1 1 1 -17 -27 8  o 32.817  4.7250  136.309    36.540   137.208    67.529   135.938    43.450   31.835  8.5577  32.476  5.7230  -0.6409035     10.29503 
1 1 1 -17 -27 9  o 16.073  5.8408  27.278     29.451   36.078     57.300   24.119     34.333   20.369  7.9759  16.289  6.2280  4.080019       10.11943 
1 1 1 -17 -27 10 o 78.235  3.7321  752.775    70.847   698.775    118.567  782.762    88.355   74.024  6.6730  79.372  4.6076  -5.348297      8.109169 
1 1 1 -17 -27 11 o 69.870  3.7511  601.803    63.361   637.577    106.646  582.287    78.770   70.945  6.2595  68.388  4.7770  2.556496       7.874056 
1 1 1 -17 -27 12 o 26.298  5.4806  89.202     33.837   32.887     61.996   113.095    40.382   20.668  8.2319  29.601  5.8298  -8.933100      10.08712 
1 1 1 -17 -27 13 o 78.799  3.7424  762.575    71.555   695.379    117.574  802.105    90.178   74.041  6.6141  80.428  4.6406  -6.387444      8.079738 
1 1 1 -17 -27 14 o 133.237 4.1029  2184.39    132.643  2039.52    204.479  2289.63    174.287  127.144 6.6512  135.779 5.2902  -8.634842      8.498502 
1 1 1 -17 -27 15 o 109.796 3.9071  1480.84    104.090  1257.37    163.459  1633.27    135.001  99.729  6.7955  114.930 4.8411  -15.20025      8.343510 
1 1 1 -17 -27 16 o 88.645  3.7473  963.983    80.600   910.822    129.445  997.645    103.005  85.095  6.3143  89.762  4.7462  -4.667229      7.899162 
1 1 1 -17 -27 17 o 29.725  8.1495  116.391    60.533   84.072     113.521  129.231    71.555   29.065  11.269  31.245  8.9684  -2.179663      14.40218 
1 1 1 -17 -27 18 o 97.485  7.2910  1205.37    171.212  0.0000     0.0000   1205.37    171.212  ?       ?       97.485  7.2910  0.000000       7.290997 
1 1 1 -17 -27 19 o 67.103  5.6946  563.222    91.844   489.718    153.445  604.256    114.649  60.205  10.906  69.032  6.9386  -8.827568      12.92581 
1 1 1 -17 -27 20 o 62.216  4.3567  478.428    65.355   374.563    143.460  505.629    73.416   52.162  11.631  63.853  4.7731  -11.69093      12.57241 
1 1 1 -17 -27 21 o 52.259  4.1421  337.508    52.092   310.467    87.702   352.248    64.752   49.052  7.6157  53.154  5.0825  -4.101955      9.155945 
1 1 1 -17 -27 22 o 103.478 3.9220  1313.68    98.474   1263.68    154.108  1348.17    128.020  100.401 6.3587  104.445 5.0515  -4.043892      8.121052 
1 1 1 -17 -27 23 o 41.861  4.9673  219.295    49.470   221.023    83.373   218.356    61.458   40.882  8.6736  41.392  6.3196  -0.5099106     10.73166 
1 1 1 -17 -27 24 o 62.545  4.4578  483.882    67.209   354.239    111.290  558.308    84.323   51.806  9.1900  66.973  5.2305  -15.16680      10.57417 
1 1 1 -17 -27 25 o 85.782  6.7347  928.045    139.052  928.045    139.052  0.0000     0.0000   85.782  6.7347  ?       ?       0.000000       6.734709 
1 1 1 -17 -27 26 o 89.148  10.267  1051.37    218.025  1051.37    218.025  0.0000     0.0000   89.148  10.267  ?       ?       0.000000       10.26681 
1 1 1 -17 -27 27 o 24.786  8.7712  71.220     65.929   -35.0595   136.939  103.289    75.221   24.680  11.062  28.548  9.3849  -3.867769      14.50656 
1 1 1 -17 -27 28 o 91.884  5.9010  1056.51    130.865  873.341    224.638  1150.61    161.007  79.852  11.962  95.316  7.0109  -15.46436      13.86538 
1 1 1 -17 -27 29 o 106.305 5.7256  1411.45    147.141  1370.19    248.074  1433.85    182.761  101.665 10.194  106.321 7.1256  -4.655510      12.43728 
1 1 1 -17 -27 30 o 133.695 4.1574  2200.11    134.864  2439.64    212.666  2038.98    174.422  139.504 6.2827  127.949 5.6182  11.55515       8.428353 
1 1 1 -17 -27 31 o 72.772  4.0262  653.473    70.815   692.660    128.575  636.410    84.844   73.557  7.3004  71.517  4.9193  2.040268       8.803082 
1 1 1 -17 -27 32 o 27.592  6.4194  99.421     42.169   177.581    97.134   81.269     46.810   35.990  10.484  24.996  7.2769  10.99362       12.76182 
1 1 1 -17 -27 33 o 76.664  4.0492  725.969    75.055   874.188    135.355  660.161    90.192   82.864  6.7917  72.697  5.1464  10.16724       8.521281 
1 1 1 -17 -27 34 o 76.771  4.0748  728.601    75.632   858.770    136.981  671.516    90.713   81.962  6.9535  73.292  5.1334  8.669960       8.643045 
1 1 1 -17 -27 35 o 12.463  5.5369  -10.5350   33.520   88.611     95.297   -24.5336   35.808   27.876  10.439  11.853  5.4457  16.02339       11.77446 
1 1 1 -17 -27 36 o 34.458  5.6988  152.524    45.981   213.738    105.910  138.306    51.042   38.927  10.822  32.462  6.7023  6.465488       12.72929 
1 1 1 -17 -27 37 o 112.225 5.2153  1573.99    142.013  0.0000     0.0000   1573.99    142.013  ?       ?       112.225 5.2153  0.000000       5.215250 
1 1 1 -17 -27 38 o 69.920  4.9521  612.622    83.472   0.0000     0.0000   612.622    83.472   ?       ?       69.920  4.9521  0.000000       4.952111 
1 1 1 -17 -27 39 o 52.130  5.2779  343.734    65.840   0.0000     0.0000   343.734    65.840   ?       ?       52.130  5.2779  0.000000       5.277883 
1 1 1 -17 -27 40 o 113.454 6.1410  1638.15    168.424  1950.12    276.907  1454.96    212.186  119.911 9.5976  104.788 8.4163  15.12340       12.76511 
1 1 1 -17 -27 41 o 63.149  5.8328  508.283    88.363   692.381    141.190  389.746    113.294  72.189  8.2065  53.453  9.0587  18.73632       12.22321 
1 1 1 -17 -27 42 o 30.025  7.7367  122.089    56.716   229.059    97.064   66.633     69.888   40.210  9.9923  24.118  8.9581  16.09203       13.41990 
1 1 1 -17 -27 43 o 32.645  5.5792  137.893    42.606   128.548    75.940   142.185    51.470   30.516  9.3624  32.756  6.7018  -2.239286      11.51384 
1 1 1 -17 -27 44 o 16.429  6.6140  18.839     40.473   29.863     84.777   15.584     46.062   22.367  9.3475  16.889  6.9591  5.477724       11.65353 
1 1 1 -17 -27 45 o 59.803  4.5388  448.801    65.369   1003.40    118.286  204.947    78.434   88.911  5.5101  38.509  8.6103  50.40212       10.22239 
1 1 1 -17 -27 46 o 84.471  4.1772  887.852    85.617   862.675    147.412  900.669    105.174  80.687  7.6197  84.387  5.1613  -3.699997      9.203219 
1 1 1 -17 -27 47 o 47.265  7.1845  297.452    79.801   369.566    156.868  272.274    92.691   48.228  13.076  44.139  8.9607  4.088703       15.85192 
1 1 1 -17 -27 48 o 20.129  7.8646  39.263     55.621   48.779     121.030  36.715     62.625   25.949  11.024  20.566  8.2456  5.382559       13.76650 
1 1 1 -17 -27 49 o 77.499  5.9798  777.474    111.576  910.603    204.303  720.890    133.194  78.456  11.037  73.224  7.6078  5.232948       13.40512 
1 1 1 -17 -27 50 o 19.027  7.1648  39.400     45.009   1.5239     95.101   50.333     51.094   21.184  9.3728  20.753  7.6691  0.4314518      12.11048 
1 1 1 -17 -27 51 o 37.904  5.8080  189.186    51.714   139.894    106.727  204.309    59.117   30.717  11.126  39.072  6.4615  -8.354673      12.86582 
1 1 1 -17 -27 52 o 18.076  7.0265  32.556     44.224   121.506    98.030   9.8278     49.553   28.955  10.636  16.555  7.0440  12.39947       12.75679 
1 1 1 -17 -27 53 o 10.134  4.9172  -58.5864   37.789   -143.0356  96.647   -43.3453   41.058   15.681  7.6646  11.516  5.4626  4.164316       9.412021 
1 1 1 -17 -27 54 f 15.340  6.8459  -9.3081    51.850   -106.4867  133.424  7.9779     56.272   20.000  9.5860  17.151  7.4050  2.849339       12.11303 
1 1 1 -17 -27 55 o 26.613  8.7341  103.662    65.160   194.544    293.208  98.941     66.831   33.425  15.438  26.100  8.8514  7.324663       17.79559 
1 1 1 -17 -27 56 o 24.374  8.3499  84.237     59.478   -195.7386  155.811  131.993    64.351   19.422  9.5422  29.785  8.4907  -10.36308      12.77287 
1 1 1 -17 -27 57 o 15.925  7.4334  -42.4332   70.783   281.868    175.210  -105.6848  77.378   37.190  14.105  14.360  6.9835  22.82952       15.73918 
1 1 1 -17 -27 58 o 34.878  10.164  195.059    91.280   462.004    183.084  106.756    105.300  48.039  14.496  27.172  10.758  20.86696       18.05153 
1 1 1 -17 -27 59 o 31.001  8.2462  141.959    63.110   97.729     153.687  150.929    69.214   27.972  12.157  31.666  8.7277  -3.693485      14.96568 
1 1 1 -17 -27 60 o 21.444  8.3321  54.572     62.164   184.444    149.705  27.512     68.334   32.314  12.817  19.710  8.3234  12.60484       15.28229 
1 1 1 -17 -27 61 o 23.642  10.140  50.741     104.158  -5.6250    279.565  59.826     112.239  28.490  13.712  24.555  10.528  3.934433       17.28723 
1 1 1 -17 -27 62 o 24.406  10.338  65.250     105.921  162.433    286.053  49.808     114.027  31.586  14.808  23.969  10.444  7.616684       18.12045 
1 1 1 -17 -27 63 o 32.490  11.454  187.168    112.332  200.628    279.232  184.569    122.699  31.749  14.801  31.951  11.869  -0.2019062     18.97212 
1 1 1 -17 -26 1  o 49.450  3.9640  304.341    47.162   330.101    95.711   296.081    54.199   49.588  8.2441  48.538  4.6592  1.050053       9.469585 
1 1 1 -17 -26 2  o 15.119  6.0108  16.737     32.999   81.386     86.402   5.6968     35.706   26.508  9.9377  14.354  6.0367  12.15416       11.62751 
1 1 1 -17 -26 3  o 96.043  5.3272  1159.73    123.657  1209.02    208.762  1133.09    153.480  94.906  9.1802  93.922  6.7803  0.9843216      11.41266 
1 1 1 -17 -26 4  o 60.420  4.9980  458.264    72.614   504.217    123.077  433.727    89.935   61.585  8.4599  58.112  6.4890  3.473339       10.66193 
1 1 1 -17 -26 5  o 76.223  3.7136  715.436    68.681   594.437    116.043  780.676    85.209   67.820  7.1600  79.252  4.4491  -11.43158      8.429675 
1 1 1 -17 -26 6  o 19.311  5.6511  47.692     28.165   56.366     55.904   44.742     32.605   22.293  8.0555  19.045  6.1746  3.248045       10.14968 
1 1 1 -17 -26 7  o 67.118  3.6595  555.358    59.373   524.313    100.579  571.962    73.556   64.097  6.5595  67.847  4.4936  -3.749985      7.951037 
1 1 1 -17 -26 8  o 82.552  3.6874  837.404    73.860   945.059    123.032  776.744    92.354   86.672  5.8851  79.007  4.8409  7.665939       7.620282 
1 1 1 -17 -26 9  o 101.758 3.7956  1272.53    93.715   1311.47    151.345  1248.32    119.349  102.087 6.1384  100.356 4.9013  1.730125       7.855110 
1 1 1 -17 -26 10 o 145.417 4.2574  2605.47    150.217  2501.41    231.851  2680.75    197.206  140.828 6.7851  146.724 5.5393  -5.896255      8.759100 
1 1 1 -17 -26 11 o 45.234  4.1634  253.805    45.183   254.541    79.423   253.453    54.939   44.195  7.6855  44.952  5.1288  -0.7564659     9.239680 
1 1 1 -17 -26 12 o 103.862 3.8106  1323.68    96.031   1297.04    152.187  1341.31    123.786  101.700 6.1968  104.169 4.8975  -2.468643      7.898486 
1 1 1 -17 -26 13 o 74.020  3.7743  673.554    67.562   566.945    109.979  738.172    85.623   66.862  6.8771  77.261  4.5879  -10.39922      8.267006 
1 1 1 -17 -26 14 o 41.046  4.4475  209.652    43.586   233.324    76.462   198.258    53.048   42.361  7.7236  39.587  5.6859  2.773853       9.590792 
1 1 1 -17 -26 15 o 148.304 4.2790  2702.72    153.978  2558.97    234.507  2811.67    204.151  142.951 6.7609  150.589 5.5872  -7.638397      8.770794 
1 1 1 -17 -26 16 o 116.818 3.9163  1672.98    111.006  1726.46    173.023  1635.58    144.715  117.666 6.0810  115.056 5.1837  2.610023       7.990551 
1 1 1 -17 -26 17 o 160.425 5.2442  3179.69    204.136  3171.34    260.286  3193.02    329.033  159.285 6.7346  158.166 8.6060  1.118790       10.92783 
1 1 1 -17 -26 18 o 128.481 5.7690  2046.32    179.849  2135.24    274.424  1979.37    238.112  129.171 8.8083  124.990 7.8918  4.180290       11.82657 
1 1 1 -17 -26 19 o 145.026 6.0207  2611.30    211.863  2635.89    318.555  2591.79    283.705  143.285 9.2114  142.878 8.2181  0.4066162      12.34454 
1 1 1 -17 -26 20 f 136.015 5.8777  2293.87    193.979  2467.00    294.329  2160.93    257.919  138.994 8.7722  130.476 8.1883  8.517456       12.00000 
1 1 1 -17 -26 21 o 145.102 4.2707  2583.89    150.360  2543.28    227.741  2615.27    200.195  142.845 6.5707  145.344 5.6766  -2.499725      8.683238 
1 1 1 -17 -26 22 o 143.340 4.2597  2521.38    148.152  2464.98    224.650  2564.78    197.084  140.621 6.5840  143.952 5.6425  -3.330643      8.671041 
1 1 1 -17 -26 23 o 134.512 5.0451  2230.73    164.661  2049.04    209.455  2524.69    266.421  127.939 6.7713  141.352 7.7980  -13.41274      10.32762 
1 1 1 -17 -26 24 o 146.648 6.7264  2685.13    239.344  2685.13    239.344  0.0000     0.0000   146.648 6.7264  ?       ?       0.000000       6.726397 
1 1 1 -17 -26 25 o 125.202 6.5362  1959.73    197.876  1959.73    197.876  0.0000     0.0000   125.202 6.5362  ?       ?       0.000000       6.536232 
1 1 1 -17 -26 26 o 168.725 5.4517  3522.22    223.189  3552.89    285.637  3474.13    357.638  168.407 6.9902  164.639 8.9865  3.767792       11.38514 
1 1 1 -17 -26 27 o 117.515 5.9303  1719.69    168.552  1880.28    274.605  1622.62    213.502  120.555 9.4637  113.068 7.8303  7.487137       12.28314 
1 1 1 -17 -26 28 o 142.474 6.1634  2528.41    213.068  2491.10    342.103  2552.06    272.337  137.948 10.295  141.728 7.9514  -3.779572      13.00799 
1 1 1 -17 -26 29 o 46.068  6.7929  271.156    73.651   248.290    161.648  277.147    82.739   42.308  13.750  46.293  7.6320  -3.984661      15.72639 
1 1 1 -17 -26 30 o 78.623  3.9305  758.678    74.983   959.799    131.066  660.825    91.422   87.480  6.2152  72.889  5.2034  14.59047       8.105793 
1 1 1 -17 -26 31 o 105.446 3.9665  1365.59    101.485  1756.86    168.628  1143.39    127.074  118.753 5.8522  95.808  5.4891  22.94485       8.023648 
1 1 1 -17 -26 32 o 44.881  4.7842  251.598    51.297   396.306    107.535  208.969    58.365   55.116  8.2984  40.470  6.1361  14.64524       10.32058 
1 1 1 -17 -26 33 o 141.366 4.2848  2462.64    146.974  2660.13    230.627  2327.58    190.719  145.440 6.5353  136.588 5.7546  8.851929       8.707766 
1 1 1 -17 -26 34 o 118.304 4.0325  1722.70    115.755  2302.24    187.352  1364.88    147.215  135.803 5.6857  104.338 5.8384  31.46537       8.149460 
1 1 1 -17 -26 35 o 81.869  4.0134  825.448    79.725   1025.67    139.333  727.988    97.211   90.020  6.4211  76.302  5.2832  13.71768       8.315187 
1 1 1 -17 -26 36 o 68.067  4.9891  578.689    81.826   0.0000     0.0000   578.689    81.826   ?       ?       68.067  4.9891  0.000000       4.989120 
1 1 1 -17 -26 37 o 15.258  6.4237  5.9901     40.500   0.0000     0.0000   5.9901     40.500   ?       ?       15.258  6.4237  0.000000       6.423697 
1 1 1 -17 -26 38 f 71.615  4.9266  641.216    85.086   0.0000     0.0000   641.216    85.086   ?       ?       71.615  4.9266  0.000000       4.926564 
1 1 1 -17 -26 39 o 64.123  4.8310  514.546    74.613   1006.06    197.467  432.685    80.587   86.359  9.5855  58.391  5.7631  27.96785       11.18457 
1 1 1 -17 -26 40 o 89.022  3.9072  978.537    84.398   1031.43    135.361  944.895    107.950  90.003  6.2368  86.784  5.1495  3.218979       8.087947 
1 1 1 -17 -26 41 o 34.054  7.4663  155.152    59.994   173.662    103.682  145.835    73.558   35.025  10.972  32.558  9.0073  2.467339       14.19565 
1 1 1 -17 -26 42 o 43.208  6.6159  243.242    67.154   223.926    109.956  254.732    84.808   39.372  11.056  43.411  8.3546  -4.039017      13.85728 
1 1 1 -17 -26 43 o 21.503  7.0239  58.424     42.160   10.625     89.205   72.171     47.840   21.682  9.3426  23.577  7.4622  -1.894983      11.95690 
1 1 1 -17 -26 44 o 57.530  4.5991  414.956    63.662   386.425    116.020  427.248    76.150   52.955  9.3725  57.997  5.4761  -5.042461      10.85499 
1 1 1 -17 -26 45 o 22.349  7.3422  63.668     46.042   230.372    91.435   7.0383     53.292   40.519  9.4702  17.167  7.3047  23.35172       11.96009 
1 1 1 -17 -26 46 o 54.716  4.8518  377.774    63.745   314.795    116.952  404.392    76.032   46.719  10.565  56.251  5.6468  -9.532085      11.97906 
1 1 1 -17 -26 47 o 51.704  6.5825  349.236    80.709   316.526    154.467  361.520    94.658   44.646  13.279  51.938  7.7482  -7.292229      15.37457 
1 1 1 -17 -26 48 o 37.597  8.1161  194.599    71.870   276.474    139.647  165.099    83.824   41.922  12.662  33.912  9.6987  8.010098       15.94965 
1 1 1 -17 -26 49 o 54.452  6.6679  390.324    86.257   325.231    172.552  412.009    99.594   43.787  14.205  55.328  7.6208  -11.54172      16.12043 
1 1 1 -17 -26 50 o 29.547  7.1544  119.504    50.745   222.713    102.252  85.778     58.451   38.461  10.611  25.185  8.2726  13.27578       13.45492 
1 1 1 -17 -26 51 o 27.551  7.1557  104.512    48.264   20.009     101.277  129.342    54.899   22.661  9.8588  30.542  7.4699  -7.880995      12.36913 
1 1 1 -17 -26 52 f 29.577  6.9526  120.323    49.054   39.811     104.373  143.149    55.574   23.835  10.184  32.152  7.2914  -8.316734      12.52526 
1 1 1 -17 -26 53 o 13.655  6.0887  -9.9201    40.917   -67.3920   96.134   2.7943     45.217   18.041  8.4976  15.354  6.6336  2.686825       10.78024 
1 1 1 -17 -26 54 o 20.299  8.0199  42.610     58.407   32.659     137.913  44.785     64.474   25.175  11.205  20.973  8.3814  4.201473       13.99287 
1 1 1 -17 -26 55 o 18.574  7.8774  19.177     61.624   136.095    289.758  13.638     63.067   32.419  15.101  18.324  7.8751  14.09456       17.03123 
1 1 1 -17 -26 56 o 22.187  8.2137  63.388     58.661   239.180    144.668  28.797     64.173   36.146  12.971  19.500  8.1396  16.64572       15.31357 
1 1 1 -17 -26 57 o 24.886  9.4803  84.098     79.373   234.014    182.197  48.981     88.180   34.734  14.015  22.714  9.5162  12.02078       16.94081 
1 1 1 -17 -26 58 o 21.448  8.8558  43.875     74.788   120.054    167.894  25.018     83.533   29.402  12.743  20.865  9.0154  8.537329       15.60928 
1 1 1 -17 -26 59 o 12.910  6.2185  -72.3278   57.784   65.592     133.615  -104.0565  64.087   25.972  11.311  12.698  6.2139  13.27389       12.90590 
1 1 1 -17 -26 60 o 15.292  7.0164  -26.0069   59.178   31.735     148.715  -36.8705   64.506   25.279  11.412  15.438  7.1693  9.840890       13.47685 
1 1 1 -17 -26 61 o 22.869  10.110  26.505     110.424  2.8565     254.518  31.989     122.560  28.253  13.459  23.855  10.593  4.397549       17.12739 
1 1 1 -17 -26 62 o 28.851  11.417  129.964    118.547  309.961    293.398  94.845     129.596  35.569  16.045  27.042  11.443  8.526737       19.70796 
1 1 1 -17 -26 63 o 24.278  10.367  63.171     108.049  253.268    297.746  34.340     115.954  33.333  15.452  23.219  10.308  10.11346       18.57475 
1 1 1 -17 -25 1  o 60.116  3.8276  447.601    55.541   369.918    106.367  476.722    65.124   52.468  8.6571  61.860  4.3668  -9.392746      9.696077 
1 1 1 -17 -25 2  o 19.530  6.4925  46.616     35.963   60.185     73.923   42.409     41.163   23.996  9.1472  19.377  6.9227  4.619160       11.47153 
1 1 1 -17 -25 3  o 13.674  5.5547  10.445     28.827   -51.9868   55.265   33.780     33.787   13.840  6.4948  17.507  6.2700  -3.666913      9.027500 
1 1 1 -17 -25 4  o 84.414  5.1679  890.977    105.340  771.281    172.391  962.302    133.075  75.848  9.5808  87.098  6.3404  -11.25011      11.48879 
1 1 1 -17 -25 5  f 24.085  6.5129  75.727     38.976   115.292    72.012   59.335     46.353   29.500  9.1281  22.019  7.3721  7.481428       11.73331 
1 1 1 -17 -25 6  o 35.620  4.3055  158.683    36.456   132.722    65.402   170.385    43.910   31.510  8.4008  36.728  5.0618  -5.217583      9.807924 
1 1 1 -17 -25 7  o 36.324  4.2960  164.786    37.131   99.457     66.446   194.450    44.774   27.743  8.7957  39.374  4.7849  -11.63062      10.01301 
1 1 1 -17 -25 8  o 79.021  3.6510  765.870    70.002   803.801    115.019  743.552    88.224   80.030  5.9660  77.445  4.7174  2.585503       7.605707 
1 1 1 -17 -25 9  o 120.148 3.9968  1773.18    116.518  1580.86    183.460  1903.19    150.847  111.973 6.7845  124.038 5.0121  -12.06549      8.435086 
1 1 1 -17 -25 10 o 104.297 3.8277  1334.05    96.867   1251.26    154.536  1387.63    124.323  99.858  6.4118  106.033 4.8322  -6.174965      8.028825 
1 1 1 -17 -25 11 o 84.586  3.7101  876.469    76.146   884.089    123.763  871.829    96.592   84.058  6.1098  83.973  4.7602  0.8573914E-01  7.745287 
1 1 1 -17 -25 12 o 35.126  4.7589  154.607    39.516   159.238    69.739   152.417    47.957   34.756  8.3695  34.583  5.9284  0.1729317      10.25646 
1 1 1 -17 -25 13 o 51.511  3.9691  327.061    49.226   361.379    83.856   309.016    60.805   53.457  6.6054  49.803  5.1039  3.654469       8.347540 
1 1 1 -17 -25 14 o 61.266  3.8098  461.225    56.355   385.026    94.160   503.753    70.345   55.022  7.2278  63.866  4.5696  -8.844452      8.551183 
1 1 1 -17 -25 15 o 61.657  3.8723  467.168    57.637   505.396    96.148   445.725    72.011   63.489  6.3256  59.965  4.9947  3.523975       8.059743 
1 1 1 -17 -25 16 o 60.603  3.8981  451.357    57.017   479.434    95.268   435.688    71.170   61.804  6.4478  59.293  4.9933  2.510124       8.155169 
1 1 1 -17 -25 17 f 49.132  4.1853  297.868    49.419   298.330    83.971   297.624    61.126   48.336  7.3948  48.882  5.2350  -0.5459404     9.060244 
1 1 1 -17 -25 18 o 26.505  8.4487  87.604     61.242   110.632    107.787  76.626     74.421   31.064  11.191  26.110  9.3104  4.954268       14.55775 
1 1 1 -17 -25 19 o 30.294  8.7143  118.933    67.491   108.000    107.141  126.125    86.901   30.838  11.150  31.510  10.066  -0.6721897     15.02207 
1 1 1 -17 -25 20 o 16.869  7.5457  -24.2455   63.385   -51.1182   95.455   -3.0515    84.772   19.846  9.0316  21.043  9.0871  -1.197128      12.81193 
1 1 1 -17 -25 21 o 83.852  4.3893  864.313    88.994   789.585    177.366  889.457    102.882  78.257  9.5381  84.898  5.0166  -6.641068      10.77695 
1 1 1 -17 -25 22 o 14.305  6.7132  -58.7963   59.052   -58.7963   59.052   0.0000     0.0000   14.305  6.7132  ?       ?       0.000000       6.713218 
1 1 1 -17 -25 23 o 23.028  8.7306  50.174     67.110   50.174     67.110   0.0000     0.0000   23.028  8.7306  ?       ?       0.000000       8.730597 
1 1 1 -17 -25 24 o 27.932  9.2969  95.464     73.733   95.464     73.733   0.0000     0.0000   27.932  9.2969  ?       ?       0.000000       9.296866 
1 1 1 -17 -25 25 f 62.163  5.3538  479.825    79.966   515.734    112.421  443.051    113.768  63.823  7.3966  58.815  8.1947  5.008457       11.03912 
1 1 1 -17 -25 26 o 65.539  5.2943  532.944    83.474   523.173    116.771  543.156    119.373  64.171  7.6504  65.393  7.6689  -1.222694      10.83236 
1 1 1 -17 -25 27 o 51.940  6.2806  339.558    77.545   406.050    155.012  317.364    89.557   54.617  12.023  49.756  7.6640  4.861057       14.25768 
1 1 1 -17 -25 28 f 55.943  6.1789  393.060    82.472   309.244    170.398  418.701    94.247   47.046  13.937  57.530  6.8887  -10.48379      15.54640 
1 1 1 -17 -25 29 o 58.655  6.0959  431.657    85.490   283.717    174.767  478.191    98.018   45.141  14.260  61.574  6.6671  -16.43287      15.74155 
1 1 1 -17 -25 30 o 28.536  8.5484  105.303    63.842   339.950    153.880  56.517     70.165   49.388  12.753  23.782  8.9476  25.60579       15.57854 
1 1 1 -17 -25 31 o 80.802  3.9542  800.824    77.525   850.376    134.701  776.280    94.800   82.130  6.8211  79.160  4.9606  2.970253       8.434139 
1 1 1 -17 -25 32 o 105.011 3.9821  1353.53    101.464  1614.42    167.382  1201.97    127.575  113.658 6.0916  98.357  5.3659  15.30083       8.117849 
1 1 1 -17 -25 33 o 117.392 4.0761  1693.52    116.104  1951.31    188.811  1536.77    147.229  124.952 6.2276  111.268 5.4533  13.68353       8.277766 
1 1 1 -17 -25 34 o 75.824  4.5611  711.818    83.526   1089.17    208.795  639.925    91.136   90.986  9.6027  71.632  5.2807  19.35423       10.95889 
1 1 1 -17 -25 35 o 43.930  5.7055  244.340    59.380   0.0000     0.0000   244.340    59.380   ?       ?       43.930  5.7055  0.000000       5.705521 
1 1 1 -17 -25 36 o 37.180  6.1429  177.529    53.482   0.0000     0.0000   177.529    53.482   ?       ?       37.180  6.1429  0.000000       6.142926 
1 1 1 -17 -25 37 f 19.745  6.9608  44.498     41.485   0.0000     0.0000   44.498     41.485   ?       ?       19.745  6.9608  0.000000       6.960835 
1 1 1 -17 -25 38 o 88.892  4.1806  975.498    90.171   1060.77    163.678  938.341    108.046  90.715  7.5035  86.650  5.1624  4.065346       9.107817 
1 1 1 -17 -25 39 o 17.909  6.7257  31.783     39.610   21.028     87.111   34.587     44.473   22.322  9.4105  18.797  7.1118  3.524878       11.79556 
1 1 1 -17 -25 40 o 12.399  5.5479  -12.9995   34.287   60.360     62.953   -43.9386   40.883   23.195  8.5226  11.660  5.5070  11.53482       10.14697 
1 1 1 -17 -25 41 o 62.350  5.7461  493.077    85.954   442.579    135.375  527.185    111.257  56.499  10.252  63.646  7.3387  -7.146675      12.60830 
1 1 1 -17 -25 42 o 44.071  6.7464  252.976    69.845   151.086    110.672  320.420    90.042   33.182  11.389  49.177  7.8069  -15.99524      13.80794 
1 1 1 -17 -25 43 o 21.598  7.8344  53.171     52.952   124.859    94.940   20.802     63.797   30.585  10.546  19.662  8.1537  10.92266       13.33027 
1 1 1 -17 -25 44 o 31.835  6.6148  133.821    49.427   283.235    93.202   75.356     58.301   45.616  8.7388  24.397  8.2673  21.21846       12.02972 
1 1 1 -17 -25 45 o 23.587  7.1304  73.020     44.270   -41.5340   90.514   109.040    50.755   19.095  8.7305  28.489  7.3071  -9.394136      11.38482 
1 1 1 -17 -25 46 o 19.873  7.1299  45.392     43.707   173.293    93.093   9.2269     49.502   34.860  10.295  16.819  7.0926  18.04072       12.50133 
1 1 1 -17 -25 47 f 52.717  4.9172  351.218    62.171   495.357    112.997  288.642    74.453   60.984  7.8162  46.932  6.7308  14.05250       10.31487 
1 1 1 -17 -25 48 o 17.234  7.2742  10.519     52.150   -218.7720  125.753  58.141     57.310   17.328  8.5253  22.280  8.1399  -4.951931      11.78728 
1 1 1 -17 -25 49 o 44.133  7.2536  260.677    74.976   412.749    149.651  209.714    86.633   51.936  12.100  38.341  9.3875  13.59524       15.31451 
1 1 1 -17 -25 50 o 31.217  6.7676  131.393    49.783   211.417    100.156  105.135    57.372   37.658  10.543  27.571  8.0646  10.08694       13.27396 
1 1 1 -17 -25 51 o 33.976  6.5133  154.669    51.742   175.369    105.028  148.034    59.457   33.996  11.085  32.701  7.6325  1.294910       13.45877 
1 1 1 -17 -25 52 o 45.625  5.3069  269.067    57.653   182.746    111.882  300.277    67.273   34.252  11.453  47.887  5.9155  -13.63499      12.89081 
1 1 1 -17 -25 53 o 33.844  6.6608  155.515    52.750   239.374    110.607  130.826    60.015   38.930  11.143  30.347  8.0269  8.582777       13.73339 
1 1 1 -17 -25 54 o 26.674  7.9445  100.866    55.258   49.884     103.334  121.283    65.394   24.129  10.215  28.898  8.6505  -4.768990      13.38574 
1 1 1 -17 -25 55 o 13.764  6.4590  -43.9438   54.655   -10.5458   126.223  -51.6506   60.634   22.644  10.336  14.281  6.7334  8.362655       12.33597 
1 1 1 -17 -25 56 o 19.614  7.8759  37.115     57.230   0.0988     135.491  45.153     63.139   23.531  10.729  20.804  8.3007  2.726948       13.56488 
1 1 1 -17 -25 57 o 27.702  9.8338  114.423    82.933   196.128    160.084  84.451     96.959   33.255  13.233  25.634  10.266  7.620104       16.74861 
1 1 1 -17 -25 58 f 20.796  8.8149  31.159     77.103   -0.0024    167.424  39.547     86.863   25.156  11.635  22.082  9.3579  3.073849       14.93153 
1 1 1 -17 -25 59 o 32.436  8.6061  156.069    68.851   0.6912     145.922  200.566    78.089   24.075  11.036  36.679  8.8712  -12.60369      14.15953 
1 1 1 -17 -25 60 o 23.774  8.7299  75.832     66.038   53.581     140.870  82.099     74.763   25.921  11.441  24.662  9.2444  1.258860       14.70890 
1 1 1 -17 -25 61 o 31.617  11.397  164.007    111.802  149.779    290.858  166.474    121.106  32.396  15.104  31.686  11.788  0.7102089      19.15918 
1 1 1 -17 -25 62 o 24.198  10.297  57.577     105.930  401.354    267.878  -6.1446    115.330  39.439  16.558  21.723  9.9019  17.71610       19.29279 
1 1 1 -17 -25 63 o 54.501  10.715  478.194    136.645  960.370    309.964  361.884    152.236  59.509  19.011  43.592  13.233  15.91718       23.16317 
1 1 1 -17 -24 1  o 24.233  5.0302  75.686     28.609   16.885     71.231   86.995     31.239   20.337  8.5383  25.996  5.1348  -5.658442      9.963350 
1 1 1 -17 -24 2  o 56.328  3.7105  391.862    50.429   395.891    87.649   389.868    61.657   55.572  6.6312  55.926  4.5839  -0.3542519     8.061314 
1 1 1 -17 -24 3  o 78.378  4.4818  761.824    84.879   674.256    118.343  854.593    121.807  72.701  6.7872  82.261  6.1470  -9.559380      9.157056 
1 1 1 -17 -24 4  o 49.016  5.2187  301.698    61.113   287.403    104.699  309.086    75.265   46.060  9.6759  49.189  6.4624  -3.129356      11.63557 
1 1 1 -17 -24 5  o 22.738  6.5878  66.527     38.447   91.174     69.198   55.521     46.241   26.968  9.0075  21.592  7.3625  5.375790       11.63364 
1 1 1 -17 -24 6  o 109.430 4.2861  1474.11    113.805  1397.19    227.655  1499.73    131.402  103.585 9.1519  110.126 4.9176  -6.540924      10.38937 
1 1 1 -17 -24 7  o 28.537  4.9338  103.324    32.927   109.470    58.619   100.491    39.799   28.893  8.0577  27.887  6.0552  1.005919       10.07924 
1 1 1 -17 -24 8  f 14.388  5.5658  16.898     27.644   -4.9708    51.731   25.639     32.706   16.281  7.0647  16.361  6.1180  -0.8003426E-01 9.345558 
1 1 1 -17 -24 9  o 19.485  5.9413  47.430     30.639   13.516     55.886   62.004     36.636   18.394  7.6299  22.074  6.4410  -3.680079      9.985089 
1 1 1 -17 -24 10 f 68.321  3.7073  572.881    61.227   574.682    101.868  571.862    76.609   67.715  6.2711  68.032  4.6692  -0.3166580     7.818429 
1 1 1 -17 -24 11 o 70.400  3.7310  608.011    63.506   543.334    104.803  645.539    79.831   65.735  6.6628  72.350  4.5710  -6.615013      8.079977 
1 1 1 -17 -24 12 o 36.625  4.6162  167.239    40.111   197.939    70.888   152.781    48.648   39.091  7.7475  34.661  6.0017  4.429874       9.800199 
1 1 1 -17 -24 13 o 50.177  4.0383  310.137    48.749   291.004    83.957   319.869    59.877   47.718  7.4985  50.780  4.9214  -3.062038      8.969258 
1 1 1 -17 -24 14 o 88.765  3.6942  962.878    79.566   1151.54    127.294  841.906    101.933  96.515  5.4580  82.578  5.1124  13.93624       7.478381 
1 1 1 -17 -24 15 o 80.899  3.7189  799.678    73.000   873.542    118.264  754.211    92.786   83.925  5.8441  78.211  4.9143  5.713699       7.635705 
1 1 1 -17 -24 16 o 61.539  3.8858  464.736    57.724   446.366    95.134   475.440    72.619   59.642  6.6891  62.050  4.8623  -2.407631      8.269610 
1 1 1 -17 -24 17 o 57.058  3.9398  399.829    54.210   335.056    89.998   436.712    67.912   51.372  7.4365  59.486  4.7446  -8.113880      8.821104 
1 1 1 -17 -24 18 o 21.416  7.6850  49.167     50.781   102.499    63.494   -45.4994   84.593   28.386  8.5300  18.770  8.5267  9.616095       12.06085 
1 1 1 -17 -24 19 o 52.907  6.7392  352.141    84.549   416.925    128.088  302.119    112.553  56.684  9.6592  47.969  9.9945  8.715263       13.89929 
1 1 1 -17 -24 20 o 26.055  8.8877  79.823     67.384   169.048    105.292  17.931     87.694   36.091  11.016  22.773  9.5113  13.31762       14.55381 
1 1 1 -17 -24 21 o 35.265  11.565  156.943    114.245  156.943    114.245  0.0000     0.0000   35.265  11.565  ?       ?       0.000000       11.56456 
1 1 1 -17 -24 22 o 56.827  6.9818  406.449    94.244   406.449    94.244   0.0000     0.0000   56.827  6.9818  ?       ?       0.000000       6.981773 
1 1 1 -17 -24 23 f 23.808  8.8503  56.721     68.244   56.721     68.244   0.0000     0.0000   23.808  8.8503  ?       ?       0.000000       8.850266 
1 1 1 -17 -24 24 o 42.110  4.8415  220.368    48.568   291.244    82.696   183.047    60.008   47.854  7.3577  37.882  6.7773  9.972160       10.00337 
1 1 1 -17 -24 25 o 70.143  4.2950  604.632    72.748   613.072    121.889  599.963    90.667   69.808  7.3042  69.612  5.4104  0.1962967      9.089795 
1 1 1 -17 -24 26 o 76.248  3.9140  712.734    72.168   848.665    126.627  647.341    87.828   82.547  6.3714  72.407  5.0303  10.13937       8.117785 
1 1 1 -17 -24 27 o 89.038  3.8921  969.557    84.086   1193.72    142.346  849.409    104.212  98.081  6.0103  82.921  5.2059  15.15948       7.951435 
1 1 1 -17 -24 28 o 52.555  6.4181  347.415    80.144   365.242    168.806  342.228    91.061   51.429  13.395  51.843  7.4534  -0.4132729     15.32860 
1 1 1 -17 -24 29 o 39.126  7.7546  198.301    71.017   200.177    157.909  197.825    79.512   39.466  13.601  38.841  8.6578  0.6253662      16.12277 
1 1 1 -17 -24 30 o 63.370  5.9635  501.738    90.617   419.994    174.711  531.822    105.988  55.013  13.247  64.974  6.8248  -9.961784      14.90173 
1 1 1 -17 -24 31 o 65.412  4.2454  527.170    67.017   525.957    131.601  527.595    77.871   63.815  8.7279  65.259  4.9548  -1.443897      10.03621 
1 1 1 -17 -24 32 o 23.252  6.7580  69.064     40.402   33.849     104.338  75.276     43.821   25.235  10.443  24.238  7.0362  0.9961109      12.59215 
1 1 1 -17 -24 33 o 9.5934  4.6172  -47.1420   31.701   -90.9665   99.417   -42.1817   33.447   18.571  8.7137  10.264  4.8864  8.306969       9.990245 
1 1 1 -17 -24 34 o 32.240  6.8091  135.016    51.595   0.0000     0.0000   135.016    51.595   ?       ?       32.240  6.8091  0.000000       6.809079 
1 1 1 -17 -24 35 o 104.970 5.0897  1364.32    129.634  0.0000     0.0000   1364.32    129.634  ?       ?       104.970 5.0897  0.000000       5.089666 
1 1 1 -17 -24 36 o 22.830  7.2177  65.592     44.766   0.0000     0.0000   65.592     44.766   ?       ?       22.830  7.2177  0.000000       7.217667 
1 1 1 -17 -24 37 o 59.938  4.4643  445.904    64.461   545.783    130.573  413.717    74.123   64.558  8.5458  57.428  5.3823  7.129883       10.09944 
1 1 1 -17 -24 38 o 81.525  3.8766  817.748    76.683   771.023    122.885  847.548    98.136   77.913  6.5612  82.508  4.9244  -4.595016      8.203571 
1 1 1 -17 -24 39 o 55.471  4.1552  381.717    55.520   483.890    94.548   327.943    68.592   61.615  6.4183  50.909  5.6480  10.70594       8.549539 
1 1 1 -17 -24 40 o 20.883  6.5521  55.150     36.957   53.006     68.468   56.031     43.903   22.987  8.7935  21.395  7.1745  1.592077       11.34897 
1 1 1 -17 -24 41 o 27.528  7.8997  100.886    55.523   184.180    92.564   54.075     69.392   36.357  10.121  23.119  8.8506  13.23766       13.44466 
1 1 1 -17 -24 42 o 35.932  7.6084  172.249    64.269   4.5072     106.284  268.938    80.693   23.148  10.085  45.111  7.6452  -21.96276      12.65518 
1 1 1 -17 -24 43 o 68.503  5.8217  595.509    95.849   599.218    148.216  592.843    125.662  66.446  9.4602  67.172  7.8585  -0.7262268     12.29844 
1 1 1 -17 -24 44 o 60.194  4.2863  451.345    62.195   477.056    104.961  437.432    77.210   60.457  7.3031  58.775  5.4771  1.682571       9.128702 
1 1 1 -17 -24 45 o 26.327  6.9374  92.242     44.939   62.461     89.946   102.148    51.877   25.240  9.9587  27.595  7.5356  -2.355669      12.48837 
1 1 1 -17 -24 46 o 55.583  4.6841  387.798    62.584   387.522    111.031  387.927    75.767   53.383  8.8842  55.134  5.7481  -1.751247      10.58155 
1 1 1 -17 -24 47 o 52.851  4.8109  351.943    61.019   308.819    109.766  371.229    73.406   46.774  9.9760  53.898  5.6995  -7.123749      11.48936 
1 1 1 -17 -24 48 o 29.344  8.6521  118.533    65.801   135.286    130.818  112.859    76.133   32.007  12.176  28.784  9.4406  3.223366       15.40734 
1 1 1 -17 -24 49 o 38.457  7.8303  201.377    70.584   134.475    142.897  222.968    81.178   32.096  12.588  40.101  8.6009  -8.005116      15.24556 
1 1 1 -17 -24 50 f 15.290  6.5665  2.5267     43.793   -70.2056   96.773   21.257     49.109   18.375  8.6139  17.718  7.2297  0.6567993      11.24577 
1 1 1 -17 -24 51 o 27.878  7.1022  106.143    48.177   98.462     96.967   108.661    55.514   27.688  10.495  28.006  7.8524  -0.3178883     13.10758 
1 1 1 -17 -24 52 o 32.360  6.7667  141.846    51.422   177.168    102.861  130.078    59.374   34.106  10.958  30.462  7.9488  3.644104       13.53714 
1 1 1 -17 -24 53 f 67.238  4.7089  574.715    76.339   638.022    138.720  547.215    91.428   67.400  8.6843  64.788  5.8799  2.611694       10.48768 
1 1 1 -17 -24 54 o 67.571  4.6436  581.175    75.673   1041.02    139.847  390.786    89.985   88.570  6.5538  53.703  7.0781  34.86652       9.646362 
1 1 1 -17 -24 55 o 29.239  8.7090  124.948    66.404   242.820    130.808  84.027     77.073   37.714  12.375  25.134  9.3931  12.57945       15.53599 
1 1 1 -17 -24 56 o 43.247  7.0347  256.996    71.281   237.717    141.884  263.505    82.440   36.599  12.876  42.928  8.2139  -6.329391      15.27303 
1 1 1 -17 -24 57 o 34.508  9.8084  184.157    86.005   451.696    164.013  82.691     101.006  50.459  13.233  25.771  10.422  24.68823       16.84440 
1 1 1 -17 -24 58 o 14.132  6.7428  -66.6797   64.421   14.773     141.122  -88.1213   72.405   24.410  11.059  14.395  6.9400  10.01503       13.05612 
1 1 1 -17 -24 59 o 22.328  8.5395  61.010     64.560   189.562    134.399  22.448     73.609   33.300  12.412  19.975  8.5441  13.32518       15.06841 
1 1 1 -17 -24 60 o 21.329  8.4562  49.227     65.144   187.336    138.895  10.278     73.760   33.161  12.563  19.223  8.3874  13.93781       15.10556 
1 1 1 -17 -24 61 o 25.952  10.623  82.553     106.460  -206.8930  265.342  138.087    116.225  25.298  12.434  29.849  11.448  -4.550409      16.90144 
1 1 1 -17 -24 62 o 26.728  11.007  92.585     115.157  206.609    273.175  67.943     126.992  33.549  15.272  25.847  11.142  7.702490       18.90446 
1 1 1 -17 -24 63 o 38.560  12.345  269.205    130.640  0.0000     0.0000   269.205    130.640  ?       ?       38.560  12.345  0.000000       12.34474 
1 1 1 -17 -23 1  o 60.054  3.6538  444.634    52.989   442.184    93.587   445.791    64.287   58.818  6.6758  59.903  4.4548  -1.084515      8.025681 
1 1 1 -17 -23 2  o 73.384  3.6357  661.029    64.737   630.359    109.207  677.646    80.384   70.525  6.4533  73.943  4.5017  -3.418060      7.868340 
1 1 1 -17 -23 3  o 25.586  5.0172  83.752     30.035   63.899     55.498   91.975     35.717   23.246  8.0602  26.695  5.6882  -3.449387      9.865224 
1 1 1 -17 -23 4  o 86.634  5.1825  932.874    108.442  922.437    177.750  939.062    136.863  84.285  8.8223  86.296  6.5861  -2.010719      11.00948 
1 1 1 -17 -23 5  o 134.526 5.8461  2250.79    190.825  2150.29    298.469  2320.27    248.173  128.520 9.6414  135.268 7.5920  -6.748413      12.27172 
1 1 1 -17 -23 6  o 90.414  5.2232  1013.55    114.099  973.207    185.131  1038.27    144.889  86.839  8.9125  90.931  6.6121  -4.092049      11.09743 
1 1 1 -17 -23 7  o 49.948  3.9123  307.486    47.036   311.707    80.219   305.274    58.065   49.514  6.8615  49.550  4.8934  -0.3633499E-01 8.427689 
1 1 1 -17 -23 8  o 49.488  3.8771  301.631    46.183   409.409    79.196   246.092    56.851   57.238  5.7816  44.338  5.3956  12.90038       7.908178 
1 1 1 -17 -23 9  o 51.119  3.8652  321.526    47.589   352.365    79.845   304.535    59.265   52.933  6.3430  49.506  5.0024  3.427414       8.078213 
1 1 1 -17 -23 10 f 105.372 3.7935  1357.59    96.992   1383.68    153.261  1340.17    125.269  105.604 6.0060  104.411 4.9446  1.192795       7.779533 
1 1 1 -17 -23 11 f 81.491  3.6985  811.358    73.130   786.696    118.591  826.491    92.896   79.515  6.1956  81.943  4.6917  -2.428513      7.771549 
1 1 1 -17 -23 12 o 64.960  3.7857  517.278    59.411   535.494    98.079   506.720    74.669   65.530  6.2439  64.082  4.8379  1.447350       7.898843 
1 1 1 -17 -23 13 o 92.707  3.7286  1049.57    83.873   1085.76    133.707  1026.10    107.698  93.652  5.9144  91.327  4.8777  2.325104       7.666291 
1 1 1 -17 -23 14 o 169.595 4.5282  3522.17    186.339  3389.13    279.698  3628.35    249.864  165.313 6.9730  171.531 6.0034  -6.217636      9.201274 
1 1 1 -17 -23 15 o 67.875  3.8454  564.354    63.071   522.196    102.763  589.832    79.887   64.657  6.6448  69.215  4.7861  -4.558601      8.189029 
1 1 1 -17 -23 16 o 100.011 3.8187  1221.13    92.669   1121.87    145.722  1288.53    120.077  95.136  6.3492  102.543 4.8260  -7.406631      7.975111 
1 1 1 -17 -23 17 o 9.2197  4.4937  -59.0272   32.549   -26.5862   58.100   -73.8661   39.294   15.953  7.1735  10.010  4.8918  5.942616       8.682652 
1 1 1 -17 -23 18 o 70.229  4.0765  604.509    69.167   719.430    110.659  530.825    88.608   76.201  6.0343  65.482  5.6316  10.71923       8.253984 
1 1 1 -17 -23 19 o 46.448  7.2854  273.462    79.406   388.094    126.825  199.550    101.838  54.704  9.9201  39.000  10.520  15.70376       14.45941 
1 1 1 -17 -23 20 o 45.014  11.631  269.015    127.953  269.015    127.953  0.0000     0.0000   45.014  11.631  ?       ?       0.000000       11.63144 
1 1 1 -17 -23 21 o 49.482  11.116  323.375    130.201  323.375    130.201  0.0000     0.0000   49.482  11.116  ?       ?       0.000000       11.11578 
1 1 1 -17 -23 22 o 45.882  11.488  279.482    127.611  279.482    127.611  0.0000     0.0000   45.882  11.488  ?       ?       0.000000       11.48826 
1 1 1 -17 -23 23 o 14.628  6.3511  -5.8647    41.859   -17.2404   71.824   -0.0134    51.512   18.595  8.1903  16.755  7.1567  1.839455       10.87652 
1 1 1 -17 -23 24 o 93.406  3.9295  1065.55    89.059   1080.78    140.520  1055.33    115.135  93.405  6.2360  92.600  5.1445  0.8048477      8.084154 
1 1 1 -17 -23 25 f 72.944  3.8805  651.640    68.435   691.906    115.675  629.957    84.884   74.569  6.4569  71.512  4.9220  3.057327       8.118913 
1 1 1 -17 -23 26 f 167.897 4.4886  3451.39    182.859  3751.90    278.078  3222.44    242.717  174.144 6.5811  161.569 6.1912  12.57442       9.035576 
1 1 1 -17 -23 27 o 88.577  3.9013  958.712    83.847   1155.77    142.523  854.412    103.689  96.570  6.1140  83.244  5.1590  13.32679       7.999736 
1 1 1 -17 -23 28 o 53.224  6.4786  355.606    81.942   441.612    170.938  329.947    93.369   57.148  12.661  50.854  7.8169  6.293869       14.87944 
1 1 1 -17 -23 29 o 84.015  5.7608  874.873    116.727  1067.37    214.279  793.647    139.193  91.094  9.8514  79.489  7.2983  11.60491       12.26034 
1 1 1 -17 -23 30 o 93.548  5.7014  1084.23    128.796  1146.74    225.174  1053.83    157.017  94.256  9.9983  91.696  7.1129  2.559898       12.27029 
1 1 1 -17 -23 31 o 53.239  4.4909  350.226    57.472   296.480    119.440  366.419    65.561   47.072  10.700  54.342  5.0292  -7.270233      11.82287 
1 1 1 -17 -23 32 o 49.082  4.7546  298.935    55.914   294.402    122.164  300.136    62.888   46.735  10.962  49.032  5.3740  -2.297829      12.20884 
1 1 1 -17 -23 33 o 55.626  5.0911  384.688    67.953   0.0000     0.0000   384.688    67.953   ?       ?       55.626  5.0911  0.000000       5.091123 
1 1 1 -17 -23 34 o 92.235  5.0327  1053.02    112.206  0.0000     0.0000   1053.02    112.206  ?       ?       92.235  5.0327  0.000000       5.032685 
1 1 1 -17 -23 35 o 133.937 5.5492  2225.51    180.343  0.0000     0.0000   2225.51    180.343  ?       ?       133.937 5.5492  0.000000       5.549243 
1 1 1 -17 -23 36 o 84.343  4.1794  874.820    85.532   1042.22    154.016  800.168    102.850  90.697  7.0541  80.167  5.3176  10.52985       8.833882 
1 1 1 -17 -23 37 o 16.481  6.3062  24.173     35.217   -0.2657    63.939   34.815     42.193   18.356  7.9095  18.668  6.9552  -0.3121758     10.53253 
1 1 1 -17 -23 38 o 76.245  3.9240  716.671    72.348   744.199    118.141  700.154    91.515   76.704  6.4063  74.965  5.0608  1.739250       8.164112 
1 1 1 -17 -23 39 o 72.132  3.9901  642.507    69.563   652.604    112.884  636.325    88.327   71.647  6.5664  71.376  5.1344  0.2711029      8.335503 
1 1 1 -17 -23 40 o 43.485  4.7924  237.246    49.727   190.654    84.356   262.058    61.560   37.374  9.3308  45.429  5.7110  -8.054615      10.93981 
1 1 1 -17 -23 41 o 34.439  7.3697  157.065    59.723   -24.0274   97.923   264.320    75.361   20.964  9.3782  45.038  7.1338  -24.07385      11.78313 
1 1 1 -17 -23 42 o 44.312  6.6437  254.224    69.231   301.210    111.931  225.112    88.106   46.552  10.192  40.580  9.1646  5.971981       13.70649 
1 1 1 -17 -23 43 o 31.515  7.8486  133.525    59.790   115.685    99.498   143.607    74.801   30.101  10.762  32.397  9.1261  -2.295523      14.11050 
1 1 1 -17 -23 44 o 83.479  4.0441  861.397    81.914   854.888    134.507  865.233    103.273  81.516  6.8643  83.044  5.1507  -1.527718      8.581868 
1 1 1 -17 -23 45 o 103.822 4.1792  1334.81    105.280  1487.84    173.805  1246.12    132.316  107.751 6.6807  99.440  5.5053  8.311638       8.656828 
1 1 1 -17 -23 46 o 49.513  4.9590  309.155    58.775   337.474    111.621  298.291    69.136   49.361  9.6656  48.190  6.0457  1.170643       11.40061 
1 1 1 -17 -23 47 o 32.567  6.6839  140.328    51.047   139.426    98.557   140.659    59.675   31.812  10.749  32.244  7.7282  -0.4319763     13.23893 
1 1 1 -17 -23 48 o 36.626  7.9613  182.289    68.732   175.003    137.846  184.699    79.292   34.972  12.647  36.403  9.0225  -1.430607      15.53582 
1 1 1 -17 -23 49 o 43.863  7.5240  257.711    77.195   374.296    150.692  216.231    89.885   49.358  12.553  39.036  9.5647  10.32140       15.78206 
1 1 1 -17 -23 50 o 34.319  6.4916  156.257    52.077   196.223    101.190  141.858    60.738   36.458  10.724  32.114  7.8588  4.344051       13.29490 
1 1 1 -17 -23 51 o 47.698  5.2555  291.578    59.816   478.233    112.441  217.908    70.640   59.350  8.0128  40.036  7.5486  19.31409       11.00848 
1 1 1 -17 -23 52 o 62.750  4.7832  499.575    72.280   530.980    133.146  486.452    86.066   61.308  9.2371  61.256  5.8621  0.5265045E-01  10.94027 
1 1 1 -17 -23 53 o 16.728  7.0814  10.726     49.657   -85.7851   96.460   45.525     57.922   17.577  8.3477  20.766  8.0500  -3.189690      11.59683 
1 1 1 -17 -23 54 o 59.387  6.6247  469.825    93.833   622.868    213.517  433.193    104.460  58.643  14.958  55.985  7.9102  2.657799       16.92089 
1 1 1 -17 -23 55 o 15.121  6.9148  -25.5359   56.814   161.191    116.533  -83.7570   65.071   32.010  11.621  13.644  6.5785  18.36606       13.35344 
1 1 1 -17 -23 56 o 22.100  8.5473  56.946     65.184   90.593     138.213  47.321     73.921   27.861  11.806  21.892  8.8942  5.969841       14.78100 
1 1 1 -17 -23 57 o 49.640  8.8802  358.547    103.034  437.363    188.792  325.114    122.960  47.273  14.805  44.818  11.308  2.455021       18.62924 
1 1 1 -17 -23 58 o 40.397  9.3579  244.779    89.927   204.026    170.572  260.466    105.829  33.957  13.610  40.547  10.628  -6.589905      17.26821 
1 1 1 -17 -23 59 o 31.246  8.3523  142.441    64.541   214.836    134.176  120.647    73.618   35.217  12.507  28.501  9.2802  6.716593       15.57429 
1 1 1 -17 -23 60 o 22.159  8.4169  59.749     62.449   -25.0651   144.858  79.110     69.211   23.359  10.811  24.321  8.9362  -0.9623394     14.02593 
1 1 1 -17 -23 61 o 27.293  11.104  97.364     115.422  571.892    265.542  -13.1748   128.162  48.451  17.549  22.626  10.361  25.82533       20.37919 
1 1 1 -17 -23 62 o 25.107  10.432  70.949     104.706  219.891    317.638  52.792     110.905  34.300  15.922  24.381  10.460  9.918901       19.04997 
1 1 1 -17 -23 63 o 40.903  11.769  288.293    123.086  375.039    349.346  275.998    131.520  36.760  16.933  39.214  12.369  -2.453896      20.96961 
1 1 1 -17 -22 1  o 54.209  3.6443  362.042    47.656   368.852    84.039   358.814    57.857   53.821  6.5718  53.758  4.4762  0.6275558E-01  7.951394 
1 1 1 -17 -22 2  f 87.847  4.5226  953.604    96.074   930.326    129.999  981.619    142.614  86.049  6.2695  88.180  6.7160  -2.130936      9.187497 
1 1 1 -17 -22 3  o 146.508 4.3184  2639.53    153.512  2410.52    238.992  2800.38    200.296  138.238 7.1496  150.284 5.4928  -12.04558      9.015961 
1 1 1 -17 -22 4  o 109.183 3.8304  1460.68    101.476  1447.24    162.661  1469.24    129.840  107.630 6.2555  109.159 4.9021  -1.529320      7.947486 
1 1 1 -17 -22 5  o 50.367  5.2363  316.294    63.057   348.413    108.838  300.066    77.364   51.635  9.0151  48.617  6.7396  3.018150       11.25586 
1 1 1 -17 -22 6  o 8.7854  4.1980  -33.9943   25.166   -113.5956  53.092   -10.9254   28.581   11.116  5.4825  11.423  5.0915  -0.3075075     7.482032 
1 1 1 -17 -22 7  o 97.689  5.2854  1179.00    124.815  1184.66    200.999  1175.44    159.238  96.479  8.6790  96.970  6.8109  -0.4914017     11.03241 
1 1 1 -17 -22 8  o 45.698  4.4499  258.305    48.715   103.226    104.710  301.143    55.034   30.387  11.018  49.333  4.6525  -18.94639      11.95977 
1 1 1 -17 -22 9  o 66.760  3.6527  545.851    58.945   627.765    96.180   496.575    74.597   71.174  5.6149  63.425  4.8848  7.748432       7.442323 
1 1 1 -17 -22 10 f 96.482  3.7136  1136.57    86.938   1008.97    135.852  1225.08    113.139  90.177  6.2473  99.984  4.6635  -9.807228      7.795950 
1 1 1 -17 -22 11 o 40.494  4.3933  202.933    42.475   166.416    73.985   220.885    51.875   35.763  8.6259  42.114  5.1862  -6.350697      10.06487 
1 1 1 -17 -22 12 o 20.859  6.1261  54.560     33.046   16.991     61.648   69.708     39.146   19.604  8.0612  23.434  6.6022  -3.830418      10.41977 
1 1 1 -17 -22 13 o 68.442  3.7843  573.318    62.600   674.991    102.997  513.755    78.832   73.870  5.7927  64.544  5.0746  9.325989       7.701105 
1 1 1 -17 -22 14 o 129.303 4.0399  2041.36    126.749  1941.53    194.674  2114.82    166.992  125.338 6.4228  131.324 5.2407  -5.986092      8.289577 
1 1 1 -17 -22 15 o 137.223 4.1423  2299.43    137.922  2164.99    209.547  2402.18    183.199  132.518 6.5169  139.939 5.3953  -7.421539      8.460501 
1 1 1 -17 -22 16 o 67.292  4.0220  554.622    65.369   556.835    103.922  553.173    84.089   66.927  6.4806  66.989  5.2144  -0.6193542E-01 8.317895 
1 1 1 -17 -22 17 o 33.727  5.7296  143.412    45.212   135.475    75.814   147.793    56.323   32.473  9.2017  33.988  7.0603  -1.515301      11.59829 
1 1 1 -17 -22 18 o 65.624  3.8936  527.168    61.721   517.635    101.382  532.782    77.801   64.498  6.5699  65.803  4.9080  -1.305145      8.200710 
1 1 1 -17 -22 19 o 49.829  7.4805  313.669    87.650   313.669    87.650   0.0000     0.0000   49.829  7.4805  ?       ?       0.000000       7.480525 
1 1 1 -17 -22 20 o 55.081  10.361  393.460    133.394  393.460    133.394  0.0000     0.0000   55.081  10.361  ?       ?       0.000000       10.36115 
1 1 1 -17 -22 21 o 68.366  9.4453  595.222    152.496  595.222    152.496  0.0000     0.0000   68.366  9.4453  ?       ?       0.000000       9.445282 
1 1 1 -17 -22 22 o 35.528  9.0326  163.662    78.037   109.138    118.748  205.108    103.533  31.973  11.712  39.615  10.574  -7.642113      15.77860 
1 1 1 -17 -22 23 o 64.171  4.6449  506.170    71.834   524.221    147.353  500.542    82.272   63.939  9.8112  63.671  5.3756  0.2685471      11.18739 
1 1 1 -17 -22 24 o 131.587 4.0614  2113.88    129.674  2232.22    200.967  2029.45    169.737  134.677 6.1499  128.614 5.4391  6.063171       8.210013 
1 1 1 -17 -22 25 o 142.616 5.4340  2496.14    188.040  2440.90    350.150  2518.53    222.911  138.536 10.495  142.927 6.4277  -4.391220      12.30649 
1 1 1 -17 -22 26 o 63.415  4.3918  494.001    67.161   822.791    127.121  366.691    79.102   81.414  6.4890  54.238  6.1174  27.17525       8.917970 
1 1 1 -17 -22 27 o 14.082  5.9661  1.6738     35.291   -9.5202    104.369  3.1189     37.500   23.067  10.022  14.640  6.1732  8.427513       11.77060 
1 1 1 -17 -22 28 o 31.041  8.4601  124.542    65.462   239.775    154.840  99.464     72.235   42.685  13.414  28.415  9.1882  14.27013       16.25939 
1 1 1 -17 -22 29 f 98.684  5.7079  1203.17    136.091  1230.65    233.798  1189.08    167.367  98.045  9.9663  97.618  7.1150  0.4265976      12.24541 
1 1 1 -17 -22 30 o 56.796  6.2340  403.287    84.498   646.692    170.423  323.944    97.301   70.599  10.248  50.245  8.2688  20.35376       13.16805 
1 1 1 -17 -22 31 o 48.890  6.8702  302.414    79.250   418.025    163.485  266.902    90.608   55.558  12.437  45.383  8.5418  10.17577       15.08799 
1 1 1 -17 -22 32 o 96.016  5.0301  1137.10    116.782  0.0000     0.0000   1137.10    116.782  ?       ?       96.016  5.0301  0.000000       5.030143 
1 1 1 -17 -22 33 o 14.719  6.2761  0.6493     39.491   0.0000     0.0000   0.6493     39.491   ?       ?       14.719  6.2761  0.000000       6.276133 
1 1 1 -17 -22 34 o 55.037  5.2733  377.176    69.558   0.0000     0.0000   377.176    69.558   ?       ?       55.037  5.2733  0.000000       5.273250 
1 1 1 -17 -22 35 o 117.134 4.1176  1683.70    117.030  1849.39    189.367  1581.31    148.859  121.612 6.4404  113.045 5.4270  8.567535       8.422094 
1 1 1 -17 -22 36 o 153.194 4.4079  2887.41    163.847  2869.53    248.057  2901.25    218.227  151.304 6.7567  152.729 5.8888  -1.424561      8.962752 
1 1 1 -17 -22 37 o 95.123  3.9010  1110.76    90.037   1157.55    141.115  1078.64    116.931  96.130  6.0813  93.183  5.1923  2.947159       7.996364 
1 1 1 -17 -22 38 o 50.173  4.4227  312.642    53.291   261.584    90.762   339.506    65.834   44.392  8.7373  52.050  5.2861  -7.657970      10.21191 
1 1 1 -17 -22 39 o 57.650  4.2682  411.841    59.280   409.583    97.660   413.159    74.595   56.384  7.3104  57.379  5.4221  -0.9955330     9.101726 
1 1 1 -17 -22 40 o 11.732  5.3375  -19.1818   33.309   -22.1018   60.717   -17.9247   39.839   16.408  7.3590  13.156  5.9256  3.251974       9.448160 
1 1 1 -17 -22 41 o 36.719  6.6777  175.401    57.303   226.233    81.389   125.436    80.692   41.119  8.4405  30.667  9.6898  10.45111       12.85041 
1 1 1 -17 -22 42 o 54.342  6.2973  377.308    81.494   201.363    126.464  502.260    106.573  37.700  12.154  62.353  7.1749  -24.65271      14.11370 
1 1 1 -17 -22 43 o 63.946  5.9731  519.122    91.605   623.205    146.174  451.810    117.552  68.284  9.0450  58.288  8.5672  9.996002       12.45830 
1 1 1 -17 -22 44 o 59.307  4.2874  437.575    61.281   443.658    102.860  434.227    76.300   58.321  7.4381  58.648  5.4232  -0.3268433     9.205228 
1 1 1 -17 -22 45 o 76.056  4.2510  718.388    78.136   785.306    133.084  683.187    96.523   77.960  7.1138  73.623  5.4418  4.337006       8.956546 
1 1 1 -17 -22 46 o 66.120  4.4088  544.854    70.327   619.345    123.008  508.680    85.718   68.876  7.4806  63.348  5.6356  5.528439       9.365884 
1 1 1 -17 -22 47 o 47.898  5.1382  290.370    58.784   270.382    109.096  298.548    69.780   43.603  10.448  48.177  6.1063  -4.574188      12.10186 
1 1 1 -17 -22 48 o 35.230  8.1323  169.132    68.108   -59.5585   138.884  241.542    78.150   23.134  10.664  42.394  7.8875  -19.25998      13.26414 
1 1 1 -17 -22 49 o 24.100  8.6475  70.835     64.296   268.830    138.979  16.919     72.524   41.844  12.630  20.234  8.5615  21.60925       15.25856 
1 1 1 -17 -22 50 o 43.052  5.5891  238.607    57.007   328.682    107.521  203.386    67.234   48.324  9.5085  38.880  7.3972  9.444672       12.04703 
1 1 1 -17 -22 51 o 30.155  7.7375  125.188    56.894   168.656    100.701  104.808    68.954   33.838  10.839  27.625  8.9808  6.212957       14.07608 
1 1 1 -17 -22 52 o 63.743  5.0372  517.131    77.274   394.504    134.614  577.400    94.372   51.199  11.152  66.822  5.8803  -15.62386      12.60711 
1 1 1 -17 -22 53 o 15.140  6.7559  -12.0459   50.483   157.473    93.663   -81.4563   59.934   32.494  10.458  13.069  6.3041  19.42539       12.21108 
1 1 1 -17 -22 54 o 43.640  6.5194  254.239    66.917   213.130    119.612  272.967    80.733   36.444  11.827  44.443  7.7695  -7.998047      14.15103 
1 1 1 -17 -22 55 o 24.441  8.6324  80.243     63.831   144.866    131.389  60.279     73.027   31.096  12.105  23.018  9.0066  8.077564       15.08788 
1 1 1 -17 -22 56 o 15.045  6.8972  -27.1511   57.018   69.892     122.394  -54.0495   64.438   26.244  11.114  14.748  6.9498  11.49610       13.10826 
1 1 1 -17 -22 57 o 40.457  9.3196  243.779    89.601   144.238    168.454  283.052    105.811  31.224  13.121  42.797  10.311  -11.57283      16.68776 
1 1 1 -17 -22 58 o 32.730  10.034  165.418    87.245   238.878    177.975  142.181    100.098  35.918  14.059  30.355  10.801  5.563570       17.72850 
1 1 1 -17 -22 59 o 23.141  8.6424  68.193     65.225   -118.4994  135.946  124.019    74.340   19.967  9.5980  28.911  9.3182  -8.944052      13.37726 
1 1 1 -17 -22 60 o 24.066  8.5251  78.342     62.298   221.800    140.419  43.184     69.514   35.762  12.785  21.246  8.6276  14.51589       15.42373 
1 1 1 -17 -22 61 o 24.595  10.425  55.921     107.832  47.124     317.633  57.067     114.640  31.455  14.998  25.032  10.684  6.422428       18.41429 
1 1 1 -17 -22 62 o 38.767  11.215  246.752    111.492  -275.6009  367.176  299.806    117.017  27.806  13.835  43.010  11.128  -15.20306      17.75538 
1 1 1 -17 -22 63 o 29.641  11.407  139.128    115.642  604.567    338.526  77.639     123.043  43.597  18.475  26.103  11.103  17.49396       21.55439 
1 1 1 -17 -21 1  o 58.474  3.6516  420.451    51.549   383.499    87.850   439.856    63.662   54.950  6.7294  59.627  4.4319  -4.676945      8.057705 
1 1 1 -17 -21 2  o 65.528  3.6498  527.244    57.801   481.048    96.452   553.130    72.201   61.763  6.5353  66.925  4.4720  -5.161366      7.918882 
1 1 1 -17 -21 3  o 52.168  3.7330  334.736    46.941   321.133    80.756   341.678    57.687   50.309  6.7889  52.533  4.5713  -2.223885      8.184531 
1 1 1 -17 -21 4  o 52.295  4.0450  336.901    50.927   297.332    114.892  346.577    56.814   47.242  10.312  52.958  4.4629  -5.715954      11.23663 
1 1 1 -17 -21 5  o 90.654  5.1812  1014.76    113.495  1031.19    184.270  1004.71    144.063  90.069  8.5335  89.693  6.6672  0.3760605      10.82924 
1 1 1 -17 -21 6  o 91.241  5.2172  1027.12    115.024  992.575    186.149  1048.46    146.294  88.348  8.8007  91.728  6.6174  -3.379227      11.01104 
1 1 1 -17 -21 7  o 107.445 5.3584  1419.65    139.696  1423.86    222.643  1416.92    179.405  106.116 8.7242  106.635 6.9721  -0.5189896     11.16794 
1 1 1 -17 -21 8  o 186.207 4.7370  4248.56    214.024  4201.36    320.312  4286.62    287.665  183.997 7.1746  186.300 6.3637  -2.303009      9.590203 
1 1 1 -17 -21 9  f 203.130 5.0826  5060.27    250.509  4449.50    371.295  5570.60    339.397  188.921 8.0998  212.353 6.5870  -23.43211      10.44009 
1 1 1 -17 -21 10 f 57.152  6.8345  409.037    92.897   194.842    188.704  477.552    106.726  40.837  14.793  61.695  7.2689  -20.85869      16.48256 
1 1 1 -17 -21 11 o 91.201  3.7312  1014.43    82.567   951.540    131.710  1055.14    105.977  87.708  6.2294  92.749  4.7247  -5.041466      7.818494 
1 1 1 -17 -21 12 o 119.095 3.9376  1730.46    113.785  1591.02    176.065  1830.48    149.107  113.496 6.4197  122.273 5.0258  -8.776497      8.152951 
1 1 1 -17 -21 13 o 154.311 4.8118  2912.36    180.162  3087.31    336.391  2841.99    213.339  157.141 8.8586  152.164 5.7782  4.977707       10.57651 
1 1 1 -17 -21 14 o 38.271  5.6258  183.315    50.683   267.770    109.839  160.469    57.128   45.331  10.229  35.502  6.8802  9.828346       12.32772 
1 1 1 -17 -21 15 o 49.505  4.4708  301.703    53.124   257.454    85.160   329.893    67.971   44.928  8.1103  51.600  5.5143  -6.671989      9.807385 
1 1 1 -17 -21 16 o 103.460 4.3019  1306.51    107.993  1144.33    207.730  1366.57    126.419  95.440  9.0797  105.712 4.9286  -10.27174      10.33114 
1 1 1 -17 -21 17 o 33.476  5.4592  140.720    42.815   108.930    73.976   156.732    52.501   29.625  9.2658  35.186  6.3845  -5.560966      11.25245 
1 1 1 -17 -21 18 o 104.835 6.0832  1353.63    154.074  1353.63    154.074  0.0000     0.0000   104.835 6.0832  ?       ?       0.000000       6.083181 
1 1 1 -17 -21 19 o 34.157  9.2580  150.289    78.648   150.289    78.648   0.0000     0.0000   34.157  9.2580  ?       ?       0.000000       9.257977 
1 1 1 -17 -21 20 o 115.058 8.5321  1652.11    236.500  1652.11    236.500  0.0000     0.0000   115.058 8.5321  ?       ?       0.000000       8.532075 
1 1 1 -17 -21 21 o 29.027  9.2462  103.512    73.360   160.506    111.522  60.040     97.399   35.815  11.399  26.866  10.432  8.948662       15.45235 
1 1 1 -17 -21 22 o 100.766 5.8004  1249.45    141.220  1114.33    207.885  1365.24    192.438  94.120  9.2213  104.825 7.6180  -10.70508      11.96099 
1 1 1 -17 -21 23 o 50.209  4.1317  309.632    49.889   274.610    89.020   325.669    60.238   46.413  8.2048  51.379  4.8910  -4.965851      9.551940 
1 1 1 -17 -21 24 o 42.180  4.6347  219.984    46.652   276.028    92.468   200.849    54.032   46.446  8.5190  40.075  5.7188  6.370621       10.26054 
1 1 1 -17 -21 25 o 146.025 4.2621  2603.47    151.013  2942.57    233.811  2360.76    197.805  154.688 6.2294  138.656 5.8794  16.03232       8.565777 
1 1 1 -17 -21 26 o 116.949 4.1112  1669.51    116.663  1918.24    191.767  1523.36    146.993  124.675 6.3603  111.459 5.4352  13.21567       8.366313 
1 1 1 -17 -21 27 o 101.870 3.9944  1266.61    98.733   1400.25    166.130  1193.64    122.765  106.406 6.4652  98.565  5.1511  7.840782       8.266326 
1 1 1 -17 -21 28 o 19.412  7.9730  16.784     60.217   239.406    151.777  -24.8057   65.601   42.771  13.255  17.249  7.6989  25.52182       15.32861 
1 1 1 -17 -21 29 o 209.225 7.4409  5434.47    377.747  5207.33    570.684  5611.60    503.949  201.141 11.744  210.809 9.8522  -9.668030      15.32942 
1 1 1 -17 -21 30 o 189.834 6.8202  4462.54    314.147  5227.81    484.839  3908.77    412.434  203.258 9.8307  175.607 9.7172  27.65031       13.82269 
1 1 1 -17 -21 31 o 100.980 7.1786  1273.19    174.743  0.0000     0.0000   1273.19    174.743  ?       ?       100.980 7.1786  0.000000       7.178579 
1 1 1 -17 -21 32 f 94.710  5.0461  1105.29    115.545  0.0000     0.0000   1105.29    115.545  ?       ?       94.710  5.0461  0.000000       5.046124 
1 1 1 -17 -21 33 o 96.184  5.0821  1141.18    118.185  0.0000     0.0000   1141.18    118.185  ?       ?       96.184  5.0821  0.000000       5.082086 
1 1 1 -17 -21 34 o 50.953  4.6993  321.640    57.444   364.468    115.194  307.465    66.272   52.810  9.3310  49.590  5.6062  3.220665       10.88561 
1 1 1 -17 -21 35 o 61.564  4.0872  466.637    60.707   422.815    98.189   493.754    77.239   57.710  7.1663  63.087  5.0891  -5.376930      8.789483 
1 1 1 -17 -21 36 o 61.954  4.0620  472.819    60.723   487.289    99.200   464.148    76.792   62.115  6.6873  61.077  5.2323  1.038330       8.490954 
1 1 1 -17 -21 37 o 62.802  4.1005  486.362    62.142   503.558    102.910  476.493    77.960   63.026  6.8391  61.843  5.2448  1.182812       8.618689 
1 1 1 -17 -21 38 o 53.908  4.3378  359.971    56.260   374.482    92.874   351.560    70.710   54.028  7.2690  52.913  5.5922  1.114666       9.171265 
1 1 1 -17 -21 39 f 52.131  4.2976  336.981    53.876   334.475    90.451   338.360    67.073   50.827  7.5648  51.918  5.4034  -1.091114      9.296387 
1 1 1 -17 -21 40 o 31.652  5.9095  129.032    43.716   127.363    75.045   129.889    53.784   30.921  9.2693  31.415  7.2089  -0.4930878     11.74261 
1 1 1 -17 -21 41 o 58.997  5.3272  436.856    75.437   448.131    101.885  423.176    112.231  58.936  7.2794  56.698  8.4131  2.237705       11.12519 
1 1 1 -17 -21 42 o 79.823  5.7182  801.912    110.017  923.068    169.696  714.064    144.499  83.954  8.4450  73.919  8.1944  10.03532       11.76713 
1 1 1 -17 -21 43 o 43.619  6.9024  247.235    70.621   277.417    112.252  227.464    90.855   44.531  10.551  40.763  9.3806  3.768280       14.11775 
1 1 1 -17 -21 44 o 34.394  4.7372  149.525    38.486   160.613    53.751   137.862    55.129   35.082  6.5555  32.236  7.2267  2.845734       9.757038 
1 1 1 -17 -21 45 f 81.121  3.7633  810.910    74.074   835.056    104.600  786.618    104.915  81.538  5.3160  79.031  5.5055  2.507027       7.653144 
1 1 1 -17 -21 46 o 86.322  3.8068  919.078    79.735   926.433    113.265  911.852    112.266  85.767  5.4712  85.089  5.4666  0.6777039      7.734191 
1 1 1 -17 -21 47 o 113.393 4.8199  1603.42    132.615  1772.47    278.058  1553.65    150.880  113.712 10.186  110.953 5.6228  2.759117       11.63461 
1 1 1 -17 -21 48 o 53.840  6.8229  377.078    87.133   585.170    171.472  304.641    101.169  63.772  11.505  47.058  9.1899  16.71337       14.72467 
1 1 1 -17 -21 49 o 20.998  8.9905  13.239     81.643   -210.4611  138.287  132.929    101.153  18.808  9.1881  31.201  10.878  -12.39256      14.23916 
1 1 1 -17 -21 50 o 39.358  5.2633  198.410    49.005   207.110    63.729   185.824    76.653   39.523  6.8962  36.525  8.7617  2.998127       11.15009 
1 1 1 -17 -21 51 o 45.285  4.7253  259.867    51.156   249.269    66.306   275.453    80.409   43.558  6.4703  45.211  7.5994  -1.653530      9.980768 
1 1 1 -17 -21 52 o 77.905  4.0147  757.919    75.632   792.987    104.807  719.813    109.252  78.708  5.5228  74.554  6.0926  4.154434       8.223274 
1 1 1 -17 -21 53 o 46.545  4.3469  273.787    48.524   251.680    60.885   312.275    80.336   43.907  5.8613  48.257  7.0708  -4.349476      9.184289 
1 1 1 -17 -21 54 o 33.708  7.5938  157.798    60.618   86.240     108.741  190.061    73.016   27.027  10.855  36.605  8.3990  -9.577623      13.72499 
1 1 1 -17 -21 55 o 23.321  8.5449  69.077     63.219   -25.3977   127.080  100.146    72.877   22.466  10.299  26.735  9.2382  -4.268894      13.83491 
1 1 1 -17 -21 56 o 35.485  8.4470  181.532    71.682   152.378    144.760  191.002    82.507   31.600  12.581  35.792  9.3851  -4.191141      15.69612 
1 1 1 -17 -21 57 o 62.913  7.6437  546.344    114.286  624.344    200.158  508.614    139.209  59.254  14.122  58.046  10.259  1.207611       17.45498 
1 1 1 -17 -21 58 o 34.295  9.9963  180.779    88.285   155.997    179.212  188.721    101.449  32.023  13.499  34.458  10.862  -2.434086      17.32669 
1 1 1 -17 -21 59 o 24.393  8.7193  80.345     65.308   287.504    143.933  26.638     73.286   40.463  12.958  20.364  8.6109  20.09822       15.55820 
1 1 1 -17 -21 60 o 22.857  8.5954  64.810     64.736   199.755    146.480  32.057     72.166   34.337  12.926  20.666  8.6293  13.67092       15.54201 
1 1 1 -17 -21 61 o 24.741  10.473  56.504     108.589  -5.9039    320.972  64.570     115.393  30.769  14.779  25.556  10.805  5.213394       18.30823 
1 1 1 -17 -21 62 o 62.449  9.4538  576.116    138.770  842.359    393.080  538.210    148.320  49.992  20.433  58.804  10.793  -8.811771      23.10800 
1 1 1 -17 -21 63 o 40.483  11.799  280.072    122.999  381.498    344.770  265.280    131.662  37.548  17.117  38.646  12.395  -1.097645      21.13400 
1 1 1 -17 -20 1  o 43.374  4.2005  232.894    43.654   186.344    99.643   243.951    48.563   37.318  10.540  44.319  4.5821  -7.001545      11.49323 
1 1 1 -17 -20 2  o 27.539  4.7721  95.815     30.732   12.175     53.458   137.101    37.559   17.982  7.4610  33.058  4.8245  -15.07605      8.884970 
1 1 1 -17 -20 3  o 79.131  4.0384  768.350    77.280   742.635    162.671  775.845    87.823   76.132  8.9787  79.390  4.5785  -3.257500      10.07868 
1 1 1 -17 -20 4  o 90.407  3.6699  998.329    80.506   952.268    129.432  1027.39    102.814  87.570  6.1301  91.414  4.6506  -3.843880      7.694611 
1 1 1 -17 -20 5  o 18.286  5.9196  40.060     29.976   27.951     51.580   46.236     36.835   19.245  7.5579  19.798  6.5702  -0.5536022     10.01444 
1 1 1 -17 -20 6  o 153.854 6.1749  2919.35    230.516  2820.48    353.764  2992.31    303.890  149.090 9.8344  154.651 8.1269  -5.561279      12.75781 
1 1 1 -17 -20 7  o 88.289  5.2916  959.771    112.837  885.690    181.133  1006.75    144.244  83.612  9.0738  90.056  6.6482  -6.443695      11.24868 
1 1 1 -17 -20 8  o 47.708  7.1002  287.202    79.686   0.0000     0.0000   287.202    79.686   ?       ?       47.708  7.1002  0.000000       7.100192 
1 1 1 -17 -20 9  o 142.516 4.1697  2479.55    144.188  2160.83    218.252  2726.40    192.074  132.184 6.8281  149.154 5.3073  -16.97002      8.648146 
1 1 1 -17 -20 10 o 49.525  3.8126  300.796    45.462   336.780    72.528   277.507    58.348   52.068  5.8415  47.337  5.1637  4.730911       7.796616 
1 1 1 -17 -20 11 o 124.612 3.9662  1893.66    119.922  1583.55    182.695  2128.44    158.962  113.228 6.6794  131.917 4.9662  -18.68896      8.323297 
1 1 1 -17 -20 12 o 150.638 4.2429  2768.81    155.083  2747.73    234.108  2785.29    207.022  149.503 6.4536  150.750 5.6597  -1.247040      8.583778 
1 1 1 -17 -20 13 o 145.840 4.2516  2594.92    150.449  2409.84    226.392  2741.29    201.340  139.975 6.6657  149.605 5.5465  -9.629761      8.671548 
1 1 1 -17 -20 14 o 128.452 4.0776  2011.88    127.088  1842.46    192.206  2143.50    169.406  122.285 6.5012  132.363 5.2747  -10.07794      8.371854 
1 1 1 -17 -20 15 o 97.034  3.7605  1147.14    88.538   1168.58    138.477  1132.32    115.149  97.469  5.8829  96.132  4.9535  1.336472       7.690557 
1 1 1 -17 -20 16 o 88.515  3.7704  954.528    80.978   903.744    127.376  988.976    104.906  85.614  6.1731  89.851  4.8296  -4.237144      7.837856 
1 1 1 -17 -20 17 o 69.199  4.7619  587.504    79.467   472.178    105.758  737.056    120.433  61.516  7.2228  77.207  6.4889  -15.69088      9.709530 
1 1 1 -17 -20 18 o 177.422 6.9557  3872.87    299.442  3872.87    299.442  0.0000     0.0000   177.422 6.9557  ?       ?       0.000000       6.955726 
1 1 1 -17 -20 19 o 185.768 7.1601  4249.33    322.741  4249.33    322.741  0.0000     0.0000   185.768 7.1601  ?       ?       0.000000       7.160104 
1 1 1 -17 -20 20 o 77.746  5.9898  745.254    112.123  799.216    167.575  701.515    150.868  79.815  8.7992  74.816  8.4593  4.998901       12.20597 
1 1 1 -17 -20 21 o 97.821  5.7599  1176.22    136.110  1200.33    199.865  1155.36    185.874  98.090  8.4809  96.362  8.0226  1.727890       11.67422 
1 1 1 -17 -20 22 o 104.011 5.6897  1329.01    143.050  1785.04    235.118  1060.99    180.250  119.861 8.1325  92.272  8.1340  27.58823       11.50214 
1 1 1 -17 -20 23 o 126.526 4.0592  1951.93    124.620  2314.62    196.275  1706.96    161.305  137.404 5.8871  118.049 5.6315  19.35457       8.146881 
1 1 1 -17 -20 24 o 139.482 4.1860  2373.16    141.671  2766.06    220.328  2096.21    184.981  150.145 6.0478  130.759 5.8303  19.38670       8.400485 
1 1 1 -17 -20 25 o 148.333 4.2912  2685.05    154.446  3073.84    237.337  2399.49    203.407  158.212 6.1825  139.835 5.9950  18.37738       8.611764 
1 1 1 -17 -20 26 o 133.287 4.2143  2167.94    136.294  2412.56    217.102  2008.81    175.098  140.077 6.3875  128.008 5.6374  12.06917       8.519444 
1 1 1 -17 -20 27 o 50.131  4.6218  309.677    55.586   399.187    107.418  276.942    64.960   56.191  8.1135  47.164  5.7984  9.027096       9.972511 
1 1 1 -17 -20 28 o 146.987 5.1736  2646.47    184.518  2692.00    238.595  2578.71    291.047  147.785 6.6538  143.757 8.3803  4.028427       10.70053 
1 1 1 -17 -20 29 o 55.409  6.5584  383.592    86.463   577.419    171.656  317.697    100.087  66.710  10.987  49.825  8.5889  16.88470       13.94613 
1 1 1 -17 -20 30 o 98.841  7.1487  1215.78    170.290  0.0000     0.0000   1215.78    170.290  ?       ?       98.841  7.1487  0.000000       7.148708 
1 1 1 -17 -20 31 o 144.268 8.0603  2603.72    281.024  0.0000     0.0000   2603.72    281.024  ?       ?       144.268 8.0603  0.000000       8.060259 
1 1 1 -17 -20 32 o 19.985  7.2463  41.536     45.293   0.0000     0.0000   41.536     45.293   ?       ?       19.985  7.2463  0.000000       7.246283 
1 1 1 -17 -20 33 o 96.119  4.0535  1130.14    94.537   1255.74    157.872  1059.91    118.041  100.475 6.5107  92.680  5.2709  7.795090       8.376838 
1 1 1 -17 -20 34 o 78.344  3.9475  752.804    74.799   661.153    119.169  812.385    96.084   72.605  6.8452  81.159  4.9022  -8.553909      8.419524 
1 1 1 -17 -20 35 o 26.120  6.2417  87.959     39.019   52.517     67.369   105.849    47.864   23.239  8.7626  28.579  6.9657  -5.340326      11.19391 
1 1 1 -17 -20 36 o 46.225  3.9394  263.627    43.762   279.934    61.190   246.554    62.613   47.301  5.4298  44.204  5.9921  3.097420       8.086337 
1 1 1 -17 -20 37 o 35.354  4.4948  156.107    37.686   189.312    51.860   118.949    54.860   38.688  5.6949  30.155  7.5227  8.533176       9.435145 
1 1 1 -17 -20 38 o 78.585  3.8723  757.578    73.837   743.459    115.676  767.285    95.920   76.941  6.2502  78.630  5.0543  -1.689110      8.038127 
1 1 1 -17 -20 39 o 82.167  3.6151  827.635    72.074   859.123    103.289  797.755    100.619  83.127  5.1462  80.068  5.2074  3.058105       7.321266 
1 1 1 -17 -20 40 o 61.528  3.6675  466.163    54.505   472.883    77.534   459.598    76.637   61.504  5.2456  60.623  5.2622  0.8815575      7.430155 
1 1 1 -17 -20 41 o 63.156  3.6795  491.481    56.142   490.167    79.191   492.810    79.604   62.573  5.2648  62.737  5.2784  -0.1646423     7.455155 
1 1 1 -17 -20 42 o 84.821  4.8137  894.998    98.662   867.420    127.236  936.587    156.248  82.728  6.3881  85.217  7.6376  -2.488953      9.956955 
1 1 1 -17 -20 43 o 44.018  5.2120  244.570    54.586   271.791    68.248   196.236    90.941   46.056  6.2702  37.724  9.8344  8.331978       11.66327 
1 1 1 -17 -20 44 o 73.591  3.6118  665.999    64.492   640.362    91.659   691.134    90.759   71.417  5.3278  74.327  5.0626  -2.910210      7.349484 
1 1 1 -17 -20 45 o 61.485  3.9315  468.077    58.346   479.354    82.478   456.779    82.550   61.606  5.5781  60.060  5.7342  1.545853       7.999777 
1 1 1 -17 -20 46 o 63.698  3.9688  502.724    61.036   485.707    85.648   520.284    87.004   61.896  5.7693  64.133  5.6486  -2.237221      8.074144 
1 1 1 -17 -20 47 o 60.027  5.6717  457.048    81.630   347.691    172.166  488.761    92.714   47.416  13.999  61.800  6.2697  -14.38366      15.33905 
1 1 1 -17 -20 48 o 25.408  9.4644  74.314     78.122   106.723    128.762  55.434     98.277   30.495  11.952  25.359  10.272  5.136330       15.75966 
1 1 1 -17 -20 49 o 62.771  7.5520  519.087    112.715  380.791    185.261  600.366    142.027  48.570  14.565  66.485  9.0384  -17.91424      17.14137 
1 1 1 -17 -20 50 o 35.397  5.9030  163.016    48.914   135.374    61.418   210.954    80.880   31.435  8.0248  39.020  8.7576  -7.584248      11.87825 
1 1 1 -17 -20 51 o 23.250  6.8986  71.796     41.725   102.132    50.514   6.6481     74.026   27.415  7.4150  19.624  8.4831  7.790297       11.26698 
1 1 1 -17 -20 52 o 58.681  4.4920  433.699    63.474   414.025    83.767   460.225    97.269   56.394  6.2255  59.031  6.9224  -2.636631      9.310006 
1 1 1 -17 -20 53 o 58.662  4.3513  433.368    61.494   424.252    82.583   444.713    92.130   57.083  6.0548  58.053  6.6611  -0.9700127     9.001701 
1 1 1 -17 -20 54 o 16.630  6.5242  24.788     38.398   24.134     46.973   26.105     66.664   17.614  7.1133  19.943  8.3078  -2.328203      10.93703 
1 1 1 -17 -20 55 o 14.072  5.9946  4.4035     35.970   23.658     41.123   -58.2961   74.209   16.801  6.7004  15.951  7.4984  0.8500061      10.05590 
1 1 1 -17 -20 56 o 48.007  5.0481  297.112    57.921   232.854    75.744   387.603    89.885   40.725  7.9505  53.462  7.1050  -12.73767      10.66267 
1 1 1 -17 -20 57 o 18.821  6.9553  41.027     42.026   51.710     46.775   -3.7106    95.722   20.448  7.3715  20.695  9.2638  -0.2470226     11.83885 
1 1 1 -17 -20 58 o 46.704  5.6961  286.386    63.213   258.245    73.921   362.960    121.938  43.315  7.2925  48.505  10.652  -5.190304      12.90929 
1 1 1 -17 -20 59 o 17.014  6.5676  28.912     38.428   33.220     46.039   19.019     69.776   18.304  7.1543  19.542  8.3377  -1.237045      10.98637 
1 1 1 -17 -20 60 o 19.083  7.9686  24.016     61.537   -48.4769   138.781  41.758     68.655   22.391  10.437  21.145  8.5784  1.245596       13.50997 
1 1 1 -17 -20 61 o 31.977  11.593  161.634    115.936  513.111    327.678  111.339    123.954  43.761  18.340  28.677  11.564  15.08348       21.68120 
1 1 1 -17 -20 62 o 67.004  8.9503  649.092    141.876  1117.15    371.961  569.404    153.479  63.482  20.869  60.563  10.842  2.918774       23.51778 
1 1 1 -17 -20 63 o 35.433  11.958  216.544    121.970  556.544    370.375  175.187    129.175  41.558  18.436  32.219  12.137  9.338421       22.07269 
1 1 1 -17 -19 1  o 99.828  5.3820  1231.77    129.883  1133.41    209.574  1293.12    165.499  94.038  9.3069  101.765 6.7406  -7.726479      11.49151 
1 1 1 -17 -19 2  o 58.645  3.5829  421.508    50.739   462.142    86.047   399.847    62.823   60.914  5.8955  56.927  4.5871  3.987411       7.469815 
1 1 1 -17 -19 3  o 76.726  3.5915  718.508    66.863   672.797    109.229  745.902    84.557   73.570  6.1760  77.918  4.4915  -4.347481      7.636558 
1 1 1 -17 -19 4  o 99.585  3.7521  1210.48    90.664   1073.55    143.613  1301.22    116.905  93.040  6.4004  103.078 4.6741  -10.03854      7.925464 
1 1 1 -17 -19 5  o 70.098  4.0597  602.044    68.753   526.651    141.903  625.171    78.595   64.157  9.3938  71.345  4.5640  -7.187897      10.44385 
1 1 1 -17 -19 6  o 95.577  5.4230  1123.92    125.247  928.612    199.141  1251.74    161.099  85.480  9.7772  100.542 6.6410  -15.06187      11.81937 
1 1 1 -17 -19 7  o 66.458  5.4308  544.843    86.808   351.464    140.135  665.257    110.580  51.714  11.468  73.289  6.2790  -21.57471      13.07483 
1 1 1 -17 -19 8  o 134.791 5.9311  2229.90    193.981  1880.39    299.023  2483.87    254.893  122.034 10.192  141.607 7.4445  -19.57314      12.62117 
1 1 1 -17 -19 9  o 27.222  5.2601  93.711     33.486   131.339    52.620   68.100     43.411   32.056  6.9644  23.407  7.0576  8.649244       9.915206 
1 1 1 -17 -19 10 o 96.663  3.7095  1138.32    87.004   1028.43    133.610  1219.22    114.640  91.368  6.0612  99.909  4.7290  -8.540962      7.687727 
1 1 1 -17 -19 11 o 157.677 4.3480  3033.04    166.348  2734.60    248.687  3274.69    223.781  149.102 6.8740  163.529 5.6398  -14.42761      8.891499 
1 1 1 -17 -19 12 o 155.068 4.3549  2933.12    163.855  2753.04    245.042  3078.75    220.368  149.667 6.7476  158.558 5.7279  -8.891571      8.850956 
1 1 1 -17 -19 13 o 133.883 4.1245  2185.01    133.986  1995.21    202.036  2334.02    179.015  127.312 6.5626  138.152 5.3403  -10.83987      8.460875 
1 1 1 -17 -19 14 o 114.912 4.4565  1610.77    124.257  1320.14    241.678  1715.21    144.872  102.525 9.8357  118.489 5.0390  -15.96380      11.05133 
1 1 1 -17 -19 15 o 118.334 3.9245  1705.93    112.682  1693.64    172.046  1715.17    149.115  117.417 6.0594  118.469 5.1874  -1.052101      7.976604 
1 1 1 -17 -19 16 o 82.570  3.9839  830.671    79.817   627.287    121.451  985.299    105.898  71.078  7.1385  89.701  4.8839  -18.62277      8.649332 
1 1 1 -17 -19 17 o 71.087  6.2944  624.266    107.447  624.266    107.447  0.0000     0.0000   71.087  6.2944  ?       ?       0.000000       6.294396 
1 1 1 -17 -19 18 o 41.050  8.4209  215.604    81.063   215.604    81.063   0.0000     0.0000   41.050  8.4209  ?       ?       0.000000       8.420941 
1 1 1 -17 -19 19 o 72.751  4.1006  647.016    72.090   664.468    109.537  633.682    95.749   73.374  6.2108  71.769  5.5413  1.605789       8.323498 
1 1 1 -17 -19 20 f 88.563  6.1672  965.803    131.700  903.980    207.842  1007.28    170.240  84.537  10.349  90.045  7.8708  -5.508026      13.00177 
1 1 1 -17 -19 21 o 122.594 5.7355  1839.65    170.611  2135.02    268.823  1640.43    220.772  131.122 8.4951  115.037 7.9583  16.08501       11.64051 
1 1 1 -17 -19 22 o 126.109 5.8194  1947.38    178.069  2427.64    279.611  1619.71    230.960  139.915 8.2729  114.153 8.3974  25.76261       11.78806 
1 1 1 -17 -19 23 o 132.164 4.6296  2131.86    148.465  2882.68    294.573  1876.20    171.894  152.592 7.9838  123.791 5.7228  28.80093       9.822976 
1 1 1 -17 -19 24 o 144.124 4.1884  2532.68    146.469  2801.98    223.048  2328.51    194.209  151.175 6.0807  137.876 5.8052  13.29906       8.406869 
1 1 1 -17 -19 25 o 152.990 4.2751  2854.88    158.697  3402.21    240.739  2434.24    211.045  166.595 5.9555  140.862 6.1747  25.73262       8.578797 
1 1 1 -17 -19 26 o 90.412  3.9008  996.303    85.576   1326.55    138.818  793.878    108.683  103.943 5.5239  80.319  5.6120  23.62434       7.874503 
1 1 1 -17 -19 27 o 20.585  7.0366  48.088     42.238   136.102    97.984   28.000     46.811   33.219  10.697  18.707  7.2409  14.51221       12.91731 
1 1 1 -17 -19 28 o 135.722 5.0560  2253.71    166.504  2391.03    217.020  2057.21    259.605  139.440 6.4143  128.481 8.3732  10.95865       10.54766 
1 1 1 -17 -19 29 o 74.291  7.1261  687.364    126.880  0.0000     0.0000   687.364    126.880  ?       ?       74.291  7.1261  0.000000       7.126140 
1 1 1 -17 -19 30 o 61.738  7.4076  478.200    108.751  0.0000     0.0000   478.200    108.751  ?       ?       61.738  7.4076  0.000000       7.407602 
1 1 1 -17 -19 31 o 75.112  7.1138  704.201    128.107  0.0000     0.0000   704.201    128.107  ?       ?       75.112  7.1138  0.000000       7.113828 
1 1 1 -17 -19 32 o 102.612 3.8215  1285.48    95.146   1390.44    142.518  1201.09    127.796  106.210 5.5494  98.749  5.3536  7.461517       7.710865 
1 1 1 -17 -19 33 o 77.241  3.5446  728.081    66.433   722.565    94.937   733.372    92.993   76.536  5.1420  77.145  4.9948  -0.6085281     7.168592 
1 1 1 -17 -19 34 o 64.796  3.5783  514.216    56.041   460.782    79.713   566.436    78.803   60.938  5.4486  67.765  4.8241  -6.826138      7.277308 
1 1 1 -17 -19 35 o 108.859 4.0497  1450.71    106.968  1275.53    172.225  1560.72    136.485  100.923 7.0778  112.648 4.9934  -11.72596      8.661966 
1 1 1 -17 -19 36 o 88.129  3.6058  949.615    77.104   970.518    110.013  929.434    108.096  88.598  5.1395  86.689  5.1624  1.909050       7.284601 
1 1 1 -17 -19 37 o 65.185  4.3178  523.967    67.906   479.433    81.857   622.259    121.609  62.026  5.4959  70.088  7.2560  -8.061749      9.102445 
1 1 1 -17 -19 38 o 32.334  4.8480  131.643    36.862   142.122    50.381   119.570    54.077   33.205  6.4856  30.230  7.4261  2.975803       9.859548 
1 1 1 -17 -19 39 o 83.667  3.6232  857.783    73.554   817.585    105.095  896.378    102.979  81.035  5.3755  85.003  5.0151  -3.968246      7.351650 
1 1 1 -17 -19 40 f 49.794  3.8734  306.280    46.431   297.371    65.362   315.354    65.968   48.574  5.6514  50.080  5.5205  -1.506054      7.900213 
1 1 1 -17 -19 41 o 11.828  5.1802  -5.6947    28.371   7.0044     37.127   -23.5177   43.984   14.829  6.1905  13.557  6.1547  1.271118       8.729433 
1 1 1 -17 -19 42 o 78.585  4.7713  767.734    90.549   669.103    115.414  925.641    146.034  72.528  6.6317  85.094  7.1387  -12.56663      9.743733 
1 1 1 -17 -19 43 o 71.687  4.7838  640.069    82.733   643.615    105.532  634.415    133.267  71.287  6.1617  69.782  8.0163  1.504860       10.11082 
1 1 1 -17 -19 44 o 90.364  3.7481  1004.84    82.180   966.986    115.857  1043.16    116.588  87.797  5.4656  91.297  5.2856  -3.500191      7.603311 
1 1 1 -17 -19 45 o 22.729  6.9190  66.558     41.579   48.773     52.414   96.749     68.290   21.171  7.7769  27.317  8.9403  -6.145702      11.84939 
1 1 1 -17 -19 46 o 49.777  4.5952  309.904    54.873   323.875    71.359   289.687    85.837   50.400  5.9499  46.821  7.8323  3.579548       9.835965 
1 1 1 -17 -19 47 o 72.701  4.5914  658.959    80.577   651.870    97.284   674.447    143.803  71.827  5.6270  71.336  8.4737  0.4904251      10.17187 
1 1 1 -17 -19 48 o 56.455  7.9147  421.630    105.438  212.292    182.580  526.377    129.151  38.416  14.437  62.642  8.7347  -24.22633      16.87407 
1 1 1 -17 -19 49 o 75.690  6.6752  739.031    121.338  787.667    206.077  713.223    150.118  73.730  11.926  72.919  8.6534  0.8108139      14.73501 
1 1 1 -17 -19 50 o 77.623  4.0110  748.902    75.286   687.880    103.061  818.727    110.243  73.413  5.8338  80.212  5.7015  -6.799263      8.157219 
1 1 1 -17 -19 51 o 35.345  5.7858  162.505    47.902   104.782    60.493   259.548    78.437   27.687  8.3273  43.922  7.6372  -16.23479      11.29913 
1 1 1 -17 -19 52 o 35.252  5.8889  162.580    48.594   113.673    61.502   243.846    79.278   28.639  8.3420  42.198  8.0362  -13.55941      11.58321 
1 1 1 -17 -19 53 o 34.730  5.8658  158.367    47.670   180.247    60.236   121.698    77.979   36.538  7.0497  29.329  9.5512  7.208879       11.87114 
1 1 1 -17 -19 54 o 40.618  5.1471  212.615    49.589   197.624    63.199   236.631    79.990   38.185  7.0819  41.119  8.3034  -2.933537      10.91326 
1 1 1 -17 -19 55 o 30.688  6.5095  127.472    46.968   157.844    59.789   78.519     75.905   33.730  7.4995  24.883  9.3173  8.846657       11.96053 
1 1 1 -17 -19 56 o 11.680  5.3758  -22.3083   35.110   -15.9252   41.602   -38.1089   65.454   13.351  6.0306  15.700  7.2665  -2.348881      9.443033 
1 1 1 -17 -19 57 o 26.071  7.5594  95.133     50.607   71.235     58.090   170.379    103.076  23.266  8.2332  33.004  10.993  -9.738380      13.73394 
1 1 1 -17 -19 58 o 19.954  7.2481  48.221     45.345   76.381     51.154   -55.0818   97.976   23.650  7.7375  18.697  8.7333  4.953476       11.66786 
1 1 1 -17 -19 59 o 25.566  7.0562  90.529     45.205   88.103     55.637   95.242     77.542   25.149  8.0567  26.283  9.4887  -1.134298      12.44773 
1 1 1 -17 -19 60 o 9.8026  4.7097  -44.1678   32.638   -63.0877   37.319   17.379     67.309   9.8573  4.8061  19.218  8.1940  -9.360744      9.499488 
1 1 1 -17 -19 61 o 22.121  9.7052  17.275     99.974   259.691    317.954  -9.3208    105.315  36.691  16.613  21.268  9.6019  15.42329       19.18864 
1 1 1 -17 -19 62 o 20.491  9.1840  -3.4759    94.390   -406.7340  347.952  28.557     98.067   26.202  13.104  22.462  9.7367  3.740843       16.32540 
1 1 1 -17 -19 63 o 24.654  10.455  60.035     108.525  183.944    323.224  44.291     115.214  33.562  15.736  24.178  10.517  9.384733       18.92736 
1 1 1 -17 -18 1  o 19.086  6.2825  43.197     33.705   11.069     61.670   56.881     40.248   19.099  7.9764  21.568  6.8464  -2.468660      10.51174 
1 1 1 -17 -18 2  o 30.628  4.9228  117.812    35.345   159.760    81.551   108.109    39.220   35.010  9.4014  29.151  5.7492  5.859537       11.01991 
1 1 1 -17 -18 3  o 108.276 3.8871  1430.99    102.124  1110.76    161.251  1645.45    131.962  94.484  7.0852  115.947 4.6906  -21.46254      8.497159 
1 1 1 -17 -18 4  o 86.268  3.6535  907.377    76.475   864.955    123.233  933.946    97.526   83.642  6.1145  87.273  4.6219  -3.631516      7.664808 
1 1 1 -17 -18 5  o 64.985  3.6712  516.344    57.651   495.922    94.064   528.630    72.960   63.223  6.2119  65.611  4.6123  -2.387650      7.737007 
1 1 1 -17 -18 6  o 101.868 4.4659  1267.11    110.386  1158.40    144.237  1420.80    171.499  96.931  6.1647  107.262 6.6219  -10.33138      9.047263 
1 1 1 -17 -18 7  o 72.879  6.8327  659.088    119.414  0.0000     0.0000   659.088    119.414  ?       ?       72.879  6.8327  0.000000       6.832658 
1 1 1 -17 -18 8  o 71.061  6.9026  626.784    117.515  0.0000     0.0000   626.784    117.515  ?       ?       71.061  6.9026  0.000000       6.902581 
1 1 1 -17 -18 9  f 41.760  4.1503  214.671    41.497   207.024    64.972   219.940    53.929   40.504  6.8556  42.067  5.4088  -1.563324      8.732323 
1 1 1 -17 -18 10 o 38.758  4.3584  185.470    40.276   218.000    62.877   162.835    52.450   41.686  6.4226  35.943  6.2403  5.742931       8.954930 
1 1 1 -17 -18 11 o 57.398  3.7679  402.914    52.184   463.926    80.144   358.009    68.757   61.362  5.4392  53.862  5.3311  7.500011       7.616103 
1 1 1 -17 -18 12 o 105.287 3.8411  1350.06    98.129   1168.83    151.037  1482.43    129.084  97.426  6.4252  110.206 4.8273  -12.78011      8.036575 
1 1 1 -17 -18 13 o 119.077 3.9638  1727.16    114.525  1534.19    174.550  1873.03    151.758  111.674 6.4694  123.848 5.0501  -12.17396      8.207130 
1 1 1 -17 -18 14 o 90.797  3.8875  1004.01    85.647   1045.31    130.886  973.089    113.261  92.238  5.8788  89.095  5.2626  3.143265       7.890158 
1 1 1 -17 -18 15 o 202.332 5.0158  4997.94    246.244  4598.73    361.295  5344.25    336.509  193.262 7.7046  208.731 6.6442  -15.46962      10.17384 
1 1 1 -17 -18 16 o 62.667  6.6373  486.876    99.388   486.876    99.388   0.0000     0.0000   62.667  6.6373  ?       ?       0.000000       6.637270 
1 1 1 -17 -18 17 o 92.011  6.0497  1040.77    134.309  1040.77    134.309  0.0000     0.0000   92.011  6.0497  ?       ?       0.000000       6.049679 
1 1 1 -17 -18 18 o 110.032 4.0916  1474.94    109.238  1140.76    166.767  1726.08    144.570  96.092  7.2050  118.909 5.0107  -22.81725      8.776047 
1 1 1 -17 -18 19 o 43.251  5.9895  233.208    61.169   380.448    97.853   138.767    78.369   55.128  7.5109  33.023  9.3548  22.10490       11.99692 
1 1 1 -17 -18 20 o 191.582 5.6907  4489.02    264.534  4748.32    334.675  4057.29    431.846  196.627 7.0148  180.420 9.9025  16.20747       12.13537 
1 1 1 -17 -18 21 o 110.997 5.8183  1511.53    156.155  2576.16    250.181  832.045    199.869  144.795 7.1210  81.108  10.395  63.68645       12.60020 
1 1 1 -17 -18 22 o 123.395 5.6262  1862.25    168.451  2179.38    256.277  1621.01    223.521  132.717 7.9956  114.360 8.1078  18.35764       11.38711 
1 1 1 -17 -18 23 o 106.391 5.5752  1388.05    143.423  1581.15    222.546  1250.88    187.571  112.901 8.1792  100.472 7.7541  12.42970       11.27055 
1 1 1 -17 -18 24 o 58.297  4.1824  416.331    58.768   622.094    104.677  321.626    71.016   70.996  6.1369  50.931  5.8529  20.06499       8.480448 
1 1 1 -17 -18 25 o 17.279  6.4690  27.481     36.589   112.464    77.140   2.8112     41.562   30.183  9.4654  15.388  6.4944  14.79514       11.47917 
1 1 1 -17 -18 26 o 35.134  5.1062  153.944    42.256   111.563    84.962   167.872    48.708   30.426  9.9727  36.615  5.6654  -6.188602      11.46958 
1 1 1 -17 -18 27 o 62.762  5.3581  485.336    80.814   524.434    117.691  450.454    111.165  64.771  7.6353  59.916  7.8340  4.854797       10.93937 
1 1 1 -17 -18 28 o 70.225  5.1005  606.180    86.316   0.0000     0.0000   606.180    86.316   ?       ?       70.225  5.1005  0.000000       5.100464 
1 1 1 -17 -18 29 o 69.504  7.0250  601.203    116.846  0.0000     0.0000   601.203    116.846  ?       ?       69.504  7.0250  0.000000       7.024960 
1 1 1 -17 -18 30 o 61.627  7.4385  475.946    108.980  0.0000     0.0000   475.946    108.980  ?       ?       61.627  7.4385  0.000000       7.438473 
1 1 1 -17 -18 31 o 77.652  7.1201  751.236    132.660  0.0000     0.0000   751.236    132.660  ?       ?       77.652  7.1201  0.000000       7.120122 
1 1 1 -17 -18 32 o 110.865 3.7672  1499.68    101.338  1462.46    144.878  1535.32    141.799  108.998 5.4957  111.881 5.2234  -2.883301      7.581956 
1 1 1 -17 -18 33 f 40.458  4.2474  202.298    41.074   244.795    57.593   158.311    58.594   44.307  5.4735  35.134  7.1171  9.173149       8.978432 
1 1 1 -17 -18 34 o 7.1943  3.5938  -69.7530   25.832   -100.2009  33.663   -26.1455   40.286   7.9109  3.9731  12.767  5.8322  -4.855884      7.056898 
1 1 1 -17 -18 35 o 143.284 4.1017  2512.58    142.602  2484.35    204.351  2539.38    199.091  141.802 5.9392  143.458 5.7196  -1.656082      8.245477 
1 1 1 -17 -18 36 o 62.739  3.6647  482.786    55.545   454.819    78.242   511.201    78.866   60.504  5.3859  64.245  5.1012  -3.741840      7.418236 
1 1 1 -17 -18 37 o 100.137 4.3811  1231.04    106.449  1244.06    129.436  1203.82    187.115  100.244 5.3407  97.413  7.9866  2.831429       9.607780 
1 1 1 -17 -18 38 o 80.281  3.6452  788.947    71.006   735.465    101.185  840.839    99.669   76.906  5.4578  82.410  5.0082  -5.503510      7.407372 
1 1 1 -17 -18 39 o 75.237  3.6460  693.450    66.560   607.358    94.632   777.739    93.636   69.733  5.6412  79.229  4.8947  -9.496346      7.468685 
1 1 1 -17 -18 40 o 68.695  3.6711  580.219    60.969   626.693    87.124   535.620    85.348   70.975  5.0929  65.479  5.4207  5.496574       7.437856 
1 1 1 -17 -18 41 o 22.411  6.0071  64.966     33.331   28.425     43.220   118.592    52.358   18.043  6.9651  30.027  7.2652  -11.98335      10.06451 
1 1 1 -17 -18 42 o 55.750  4.9049  388.028    65.674   386.493    82.593   390.667    108.300  55.149  6.2844  54.492  8.4657  0.6568947      10.54335 
1 1 1 -17 -18 43 o 71.995  4.7793  645.148    83.014   626.032    105.715  675.898    134.075  70.285  6.2645  72.248  7.7704  -1.962776      9.981146 
1 1 1 -17 -18 44 o 87.484  3.8302  942.054    81.304   987.409    113.358  894.006    116.675  88.848  5.2820  84.298  5.7384  4.549965       7.799274 
1 1 1 -17 -18 45 o 42.169  5.0652  224.297    50.789   189.844    66.077   274.039    79.396   37.926  7.4461  45.774  7.4010  -7.848213      10.49856 
1 1 1 -17 -18 46 o 52.550  4.3999  344.137    55.585   339.193    73.667   350.674    84.703   51.595  5.9962  52.096  6.8683  -0.5012207     9.117480 
1 1 1 -17 -18 47 o 31.475  6.9152  130.949    51.369   105.756    58.909   210.900    104.943  28.127  8.1561  38.596  10.788  -10.46844      13.52377 
1 1 1 -17 -18 48 o 45.742  9.0893  285.660    97.327   241.126    157.449  313.200    123.815  40.195  13.586  46.784  11.078  -6.589516      17.53044 
1 1 1 -17 -18 49 o 39.025  9.9436  214.741    94.427   286.400    158.931  175.645    117.393  43.097  13.597  35.110  11.732  7.986137       17.95880 
1 1 1 -17 -18 50 o 93.771  4.0333  1089.98    91.769   963.966    127.646  1224.79    132.026  86.823  6.0978  98.328  5.5565  -11.50555      8.249676 
1 1 1 -17 -18 51 o 47.703  4.7612  287.635    54.373   305.299    71.072   262.707    84.432   48.521  6.1769  43.899  8.2289  4.621647       10.28931 
1 1 1 -17 -18 52 f 32.509  5.7854  138.297    43.963   108.399    56.360   184.762    70.260   28.088  7.9249  36.594  8.1246  -8.506227      11.34960 
1 1 1 -17 -18 53 o 51.301  4.4545  332.112    54.898   362.007    74.939   297.485    80.652   52.807  5.9524  47.058  7.3000  5.749355       9.419211 
1 1 1 -17 -18 54 o 13.003  5.7140  -5.3405    34.779   51.518     43.803   -102.3256  57.208   20.419  7.1561  11.912  5.8381  8.507015       9.235463 
1 1 1 -17 -18 55 o 14.890  6.3032  7.0036     39.337   -14.2267   46.976   56.835     71.969   14.410  6.4673  22.813  8.9371  -8.403443      11.03168 
1 1 1 -17 -18 56 o 11.136  5.2452  -35.4925   36.621   -62.5874   42.973   36.374     69.987   10.973  5.3044  20.933  8.5963  -9.959748      10.10115 
1 1 1 -17 -18 57 o 27.683  7.4437  107.191    51.083   112.492    58.490   90.147     104.882  28.130  8.1184  26.885  10.707  1.245815       13.43707 
1 1 1 -17 -18 58 o 19.339  7.2877  41.903     46.582   47.408     51.706   18.178     107.334  20.350  7.6758  22.807  10.030  -2.457506      12.63002 
1 1 1 -17 -18 59 o 14.687  5.9749  14.399     33.416   62.320     38.365   -136.2400  68.020   21.556  6.6614  12.419  6.1400  9.136559       9.059484 
1 1 1 -17 -18 60 o 30.126  6.3059  122.659    44.615   193.374    54.506   -20.9073   77.663   38.133  6.0963  18.084  8.1974  20.04897       10.21577 
1 1 1 -17 -18 61 o 21.644  9.5719  8.7511     99.075   70.641     343.149  3.1228     103.482  33.041  15.708  21.728  9.6860  11.31300       18.45408 
1 1 1 -17 -18 62 o 36.505  12.124  224.723    125.417  567.917    336.822  169.481    135.134  44.903  18.687  32.361  12.360  12.54165       22.40504 
1 1 1 -17 -18 63 o 36.849  11.534  228.009    114.594  216.065    262.197  230.830    127.407  34.123  15.299  36.418  12.222  -2.294540      19.58193 
1 1 1 -17 -17 1  f 27.898  5.9492  99.345     39.042   118.270    69.221   90.517     47.280   30.405  8.8482  26.585  7.1666  3.819750       11.38647 
1 1 1 -17 -17 2  o 80.289  3.9746  786.738    77.431   663.092    157.933  825.864    88.842   72.252  9.2188  82.076  4.4780  -9.824089      10.24879 
1 1 1 -17 -17 3  o 94.466  3.7738  1088.00    86.500   821.645    137.159  1263.90    111.460  81.314  7.0206  101.708 4.5165  -20.39309      8.347895 
1 1 1 -17 -17 4  o 76.147  3.6348  706.469    67.158   678.370    107.567  724.418    85.973   74.105  6.0347  76.870  4.6310  -2.765457      7.606840 
1 1 1 -17 -17 5  o 149.540 4.2630  2727.95    154.679  2551.16    234.966  2863.17    205.484  144.026 6.7236  152.912 5.5382  -8.886703      8.710852 
1 1 1 -17 -17 6  o 177.022 4.6550  3825.53    199.947  3365.51    298.779  4198.64    269.082  165.238 7.4521  185.077 5.9920  -19.83841      9.562250 
1 1 1 -17 -17 7  o 103.603 5.4450  1316.37    136.396  1215.51    216.545  1382.70    175.611  98.567  9.1590  105.855 6.8744  -7.288017      11.45182 
1 1 1 -17 -17 8  o 86.928  5.3993  927.329    113.322  764.808    180.567  1032.94    145.556  77.855  9.7739  91.515  6.5993  -13.65997      11.79318 
1 1 1 -17 -17 9  o 60.382  4.2239  446.506    61.496   402.731    129.368  459.285    69.898   56.154  9.8541  61.170  4.7465  -5.015991      10.93766 
1 1 1 -17 -17 10 o 17.840  6.0425  36.155     31.144   -36.4766   47.514   90.872     41.240   13.561  6.2461  26.702  6.4397  -13.14156      8.971274 
1 1 1 -17 -17 11 o 110.584 3.8493  1489.01    103.286  1179.01    156.130  1730.26    137.731  97.840  6.6156  119.091 4.7664  -21.25147      8.153753 
1 1 1 -17 -17 12 o 100.078 3.7627  1219.26    91.370   1023.32    138.090  1371.85    121.861  91.199  6.2786  106.051 4.7357  -14.85243      7.864355 
1 1 1 -17 -17 13 o 120.589 4.0129  1770.96    117.418  1616.80    176.766  1892.69    157.079  114.715 6.3757  124.503 5.1996  -9.787659      8.227164 
1 1 1 -17 -17 14 o 21.597  7.1492  54.519     43.624   48.792     68.098   58.506     56.811   23.274  8.8017  23.178  8.1483  0.9641075E-01  11.99432 
1 1 1 -17 -17 15 o 25.324  8.9859  69.048     69.242   69.048     69.242   0.0000     0.0000   25.324  8.9859  ?       ?       0.000000       8.985901 
1 1 1 -17 -17 16 o 128.583 6.3644  2024.81    198.568  2024.81    198.568  0.0000     0.0000   128.583 6.3644  ?       ?       0.000000       6.364432 
1 1 1 -17 -17 17 o 90.414  4.0901  995.615    89.729   1053.61    139.484  954.675    117.197  92.566  6.2468  88.230  5.5018  4.336693       8.324209 
1 1 1 -17 -17 18 o 127.687 4.1976  1986.12    130.051  2028.92    197.148  1953.15    173.042  128.724 6.3120  126.415 5.6414  2.309250       8.465648 
1 1 1 -17 -17 19 o 16.313  6.1616  23.522     33.348   29.012     72.453   22.046     37.563   22.060  8.8604  16.763  6.4869  5.297846       10.98124 
1 1 1 -17 -17 20 o 31.469  5.5778  124.561    41.031   99.649     79.789   133.517    47.841   29.063  9.6710  32.482  6.2974  -3.419167      11.54060 
1 1 1 -17 -17 21 o 123.873 5.6547  1875.75    169.962  2159.83    257.046  1655.07    226.555  132.178 8.0531  115.623 8.1271  16.55400       11.44124 
1 1 1 -17 -17 22 o 101.345 5.5801  1259.12    136.689  1662.51    214.155  981.808    177.561  116.004 7.6513  88.848  8.3337  27.15614       11.31344 
1 1 1 -17 -17 23 o 115.104 5.6147  1619.80    156.814  2005.65    239.403  1329.83    207.533  127.407 7.7815  103.501 8.3344  23.90561       11.40234 
1 1 1 -17 -17 24 o 22.081  6.3658  61.051     35.979   82.098     54.699   45.000     47.767   25.811  7.9504  20.769  7.4535  5.041862       10.89785 
1 1 1 -17 -17 25 o 67.421  3.7784  555.214    61.563   602.360    91.695   516.523    83.068   69.991  5.4422  64.799  5.3305  5.191422       7.617842 
1 1 1 -17 -17 26 f 88.432  4.0306  952.843    86.485   1080.09    144.334  881.563    108.026  93.638  6.3908  84.770  5.2781  8.867760       8.288617 
1 1 1 -17 -17 27 o 106.254 5.1619  1379.75    133.083  0.0000     0.0000   1379.75    133.083  ?       ?       106.254 5.1619  0.000000       5.161949 
1 1 1 -17 -17 28 o 181.206 6.4175  4030.87    282.165  0.0000     0.0000   4030.87    282.165  ?       ?       181.206 6.4175  0.000000       6.417520 
1 1 1 -17 -17 29 o 133.391 7.7577  2205.13    250.004  0.0000     0.0000   2205.13    250.004  ?       ?       133.391 7.7577  0.000000       7.757737 
1 1 1 -17 -17 30 o 65.745  6.4302  536.260    101.264  725.268    225.284  488.402    113.361  74.418  12.946  62.423  7.6441  11.99545       15.03474 
1 1 1 -17 -17 31 o 115.911 5.6670  1648.22    159.383  1766.53    257.213  1574.48    203.067  118.693 8.9980  112.596 7.4753  6.097794       11.69802 
1 1 1 -17 -17 32 o 85.008  3.6505  881.126    75.297   925.959    107.369  837.738    105.624  86.786  5.1215  82.493  5.3051  4.292709       7.373822 
1 1 1 -17 -17 33 o 25.913  5.4868  85.524     33.424   109.540    45.097   56.251     49.789   29.235  6.5231  22.207  7.6380  7.027384       10.04442 
1 1 1 -17 -17 34 o 58.354  3.7255  417.359    52.474   442.600    73.669   391.362    74.763   59.835  5.1235  56.143  5.5613  3.692520       7.561679 
1 1 1 -17 -17 35 o 129.400 3.8987  2046.74    122.411  2048.12    175.549  2045.43    170.781  128.929 5.6115  128.897 5.4605  0.3224182E-01  7.829836 
1 1 1 -17 -17 36 o 138.861 4.0246  2359.91    135.603  2262.13    194.288  2452.79    189.352  135.270 5.9194  141.021 5.5338  -5.751083      8.103246 
1 1 1 -17 -17 37 o 139.271 4.0839  2376.54    138.008  2332.02    198.064  2418.55    192.403  137.207 5.9493  139.861 5.6696  -2.654831      8.218166 
1 1 1 -17 -17 38 o 98.770  3.7378  1194.31    89.578   1152.10    126.459  1236.82    126.908  96.385  5.4294  99.945  5.2516  -3.560173      7.553606 
1 1 1 -17 -17 39 o 27.161  5.9278  95.114     37.969   77.845     48.190   123.385    61.658   24.691  7.4338  30.633  8.1520  -5.942427      11.03255 
1 1 1 -17 -17 40 o 67.302  3.9458  557.924    64.154   468.800    87.159   663.299    94.773   61.070  5.9578  72.946  5.3927  -11.87578      8.035987 
1 1 1 -17 -17 41 o 100.037 3.8722  1229.13    93.991   1134.20    131.090  1329.57    134.837  95.264  5.6973  103.320 5.3972  -8.055748      7.847881 
1 1 1 -17 -17 42 o 71.567  4.8271  636.814    83.334   659.635    106.014  599.911    134.814  72.331  6.0974  67.846  8.3666  4.485023       10.35266 
1 1 1 -17 -17 43 o 60.458  4.8731  455.955    70.879   436.143    89.040   490.225    117.107  58.558  6.3694  61.310  8.0679  -2.752243      10.27910 
1 1 1 -17 -17 44 o 70.248  3.9181  609.412    66.518   544.419    90.543   685.622    98.045   65.720  5.7354  73.908  5.5068  -8.187263      7.951086 
1 1 1 -17 -17 45 o 27.927  6.8022  102.738    45.666   39.279     54.755   247.719    82.763   20.428  7.8521  43.159  8.2029  -22.73112      11.35533 
1 1 1 -17 -17 46 o 21.917  6.8637  61.099     40.578   59.386     48.134   65.307     75.439   22.094  7.5118  24.633  9.2758  -2.539536      11.93602 
1 1 1 -17 -17 47 o 65.071  4.2108  525.643    66.128   525.992    85.401   525.119    104.503  64.581  5.5025  63.875  6.8496  0.7061081      8.786055 
1 1 1 -17 -17 48 o 37.693  9.7148  197.767    89.411   217.461    156.710  188.262    108.869  38.658  13.536  36.410  11.217  2.248802       17.57961 
1 1 1 -17 -17 49 o 17.760  8.0260  -27.8678   73.791   -36.3238   121.240  -22.8922   93.001   22.556  10.231  20.313  9.1093  2.242815       13.69899 
1 1 1 -17 -17 50 o 48.656  4.5480  297.362    53.070   288.138    70.286   309.593    80.942   47.170  6.2983  48.535  7.0816  -1.365139      9.477254 
1 1 1 -17 -17 51 o 15.106  6.1340  14.213     35.136   36.362     45.614   -18.1035   55.098   18.947  7.1942  15.599  7.0024  3.347378       10.03946 
1 1 1 -17 -17 52 o 31.104  5.9537  127.269    43.297   129.481    58.397   124.568    64.523   30.692  7.8194  29.933  8.4913  0.7589684      11.54323 
1 1 1 -17 -17 53 o 28.861  6.3432  111.390    43.209   81.765     56.990   151.445    66.266   24.766  8.1701  32.906  8.3003  -8.139858      11.64672 
1 1 1 -17 -17 54 o 38.056  5.6884  189.055    50.915   173.659    63.655   216.397    84.831   35.509  7.6164  38.811  9.1562  -3.301872      11.90990 
1 1 1 -17 -17 55 o 16.878  6.7532  23.112     41.912   19.343     50.618   31.332     74.750   17.597  7.2773  21.078  8.7903  -3.480494      11.41174 
1 1 1 -17 -17 56 o 43.858  5.4088  249.835    56.340   253.395    72.788   244.514    88.984   43.132  7.2095  41.021  9.1704  2.110191       11.66501 
1 1 1 -17 -17 57 o 19.794  7.3417  45.458     46.910   60.917     51.911   -23.3762   109.540  21.888  7.7790  21.139  9.6413  0.7491322      12.38822 
1 1 1 -17 -17 58 o 20.348  7.3727  50.286     46.874   41.120     52.704   84.981     102.537  19.808  7.6787  26.478  10.574  -6.670822      13.06792 
1 1 1 -17 -17 59 o 20.613  7.1410  53.985     43.558   99.468     52.810   -42.8059   77.038   26.660  7.7199  16.974  7.8656  9.686417       11.02110 
1 1 1 -17 -17 60 o 32.737  6.4379  144.659    49.315   125.545    59.745   185.528    87.362   29.734  8.0732  35.140  9.8499  -5.406391      12.73569 
1 1 1 -17 -17 61 o 25.809  10.592  73.138     106.167  241.822    240.995  32.519     118.260  36.390  15.510  24.268  10.604  12.12169       18.78800 
1 1 1 -17 -17 62 o 32.217  11.393  164.997    111.227  214.382    253.562  153.231    123.770  34.900  15.380  31.309  11.860  3.590952       19.42126 
1 1 1 -17 -17 63 f 32.301  11.390  171.005    111.079  210.083    257.207  162.045    123.157  33.968  15.197  31.492  11.853  2.475407       19.27286 
1 1 1 -17 -16 1  o 74.553  4.9017  682.960    88.176   880.584    143.693  563.597    111.674  84.157  7.1033  67.242  6.9446  16.91515       9.933990 
1 1 1 -17 -16 2  o 134.906 5.8041  2232.39    189.990  1822.12    290.109  2540.49    251.402  120.205 10.038  143.302 7.2539  -23.09725      12.38505 
1 1 1 -17 -16 3  o 104.047 3.7449  1318.99    94.543   1261.59    149.678  1357.10    121.951  101.219 6.1232  105.399 4.7685  -4.180817      7.760979 
1 1 1 -17 -16 4  o 145.444 4.2173  2579.50    148.831  2316.75    226.971  2777.70    197.127  137.277 6.8141  150.686 5.3915  -13.40848      8.689086 
1 1 1 -17 -16 5  o 90.114  3.6861  988.843    80.599   836.941    124.926  1097.16    105.491  82.381  6.2974  94.826  4.5849  -12.44518      7.789649 
1 1 1 -17 -16 6  o 82.246  3.6192  823.459    72.225   791.913    112.014  845.908    94.491   80.239  5.7923  83.131  4.7038  -2.892265      7.461644 
1 1 1 -17 -16 7  o 137.162 6.0239  2303.26    200.481  1933.02    309.800  2570.01    262.967  124.160 10.379  144.332 7.5350  -20.17200      12.82541 
1 1 1 -17 -16 8  o 104.952 5.5125  1349.86    139.887  1354.06    219.970  1347.01    181.262  104.324 8.7713  104.475 7.1943  -0.1505051     11.34432 
1 1 1 -17 -16 9  o 63.440  5.6071  495.668    85.422   356.810    137.709  582.515    108.907  52.526  11.150  68.627  6.6225  -16.10172      12.96832 
1 1 1 -17 -16 10 o 81.555  4.2329  812.445    83.476   569.884    171.328  887.951    95.589   66.814  10.947  85.214  4.6406  -18.39919      11.89029 
1 1 1 -17 -16 11 o 121.210 3.9232  1788.71    115.384  1460.08    174.014  2046.58    154.143  108.965 6.6129  129.525 4.9046  -20.56010      8.233198 
1 1 1 -17 -16 12 o 178.494 4.6408  3884.08    200.992  3400.76    296.773  4293.61    273.182  166.413 7.3498  187.362 6.0091  -20.94855      9.493574 
1 1 1 -17 -16 13 o 135.236 4.5587  2229.10    149.589  2505.32    273.879  2111.66    178.579  142.486 7.9535  131.471 5.5981  11.01491       9.726079 
1 1 1 -17 -16 14 o 104.200 6.3041  1333.58    158.636  1333.58    158.636  0.0000     0.0000   104.200 6.3041  ?       ?       0.000000       6.304072 
1 1 1 -17 -16 15 o 167.339 6.9012  3432.95    280.212  3432.95    280.212  0.0000     0.0000   167.339 6.9012  ?       ?       0.000000       6.901248 
1 1 1 -17 -16 16 o 50.205  4.9955  310.462    60.046   258.165    96.130   343.921    76.891   44.941  9.1272  52.679  6.1302  -7.738224      10.99476 
1 1 1 -17 -16 17 o 44.995  5.0577  250.059    54.261   273.082    86.177   234.935    69.845   46.502  7.9216  43.263  6.8843  3.239094       10.49500 
1 1 1 -17 -16 18 o 150.625 4.2488  2763.46    155.283  2826.49    233.051  2713.12    208.243  151.968 6.3203  148.999 5.7600  2.968430       8.551210 
1 1 1 -17 -16 19 o 107.707 3.9116  1412.18    102.225  1366.61    159.084  1444.23    133.415  105.499 6.2424  108.799 5.0538  -3.299721      8.031678 
1 1 1 -17 -16 20 o 125.335 4.0189  1912.68    122.219  2136.00    187.853  1748.76    160.940  132.183 5.8570  119.650 5.5435  12.53339       8.064465 
1 1 1 -17 -16 21 o 183.321 6.3249  4113.95    281.339  4343.79    388.032  3859.23    408.502  187.689 8.5205  176.291 9.5860  11.39821       12.82535 
1 1 1 -17 -16 22 o 126.344 5.3171  1949.12    163.001  2204.47    222.786  1654.96    239.117  133.905 6.8801  115.522 8.5921  18.38322       11.00729 
1 1 1 -17 -16 23 o 79.481  4.9926  773.841    95.795   983.101    131.248  535.271    140.139  89.433  6.0844  65.206  9.1059  24.22700       10.95161 
1 1 1 -17 -16 24 o 59.332  3.8715  430.407    55.430   492.185    82.536   379.649    74.812   63.245  5.4311  55.451  5.6387  7.793053       7.828936 
1 1 1 -17 -16 25 o 107.860 3.7208  1416.18    97.379   1611.69    141.863  1241.97    133.911  114.897 5.0886  100.661 5.5035  14.23599       7.495460 
1 1 1 -17 -16 26 o 131.245 7.9845  2130.66    253.062  0.0000     0.0000   2130.66    253.062  ?       ?       131.245 7.9845  0.000000       7.984500 
1 1 1 -17 -16 27 o 80.296  5.0914  790.594    98.684   0.0000     0.0000   790.594    98.684   ?       ?       80.296  5.0914  0.000000       5.091408 
1 1 1 -17 -16 28 o 84.717  5.1011  879.989    104.369  0.0000     0.0000   879.989    104.369  ?       ?       84.717  5.1011  0.000000       5.101138 
1 1 1 -17 -16 29 o 142.708 6.2484  2498.44    216.361  2842.71    360.961  2305.38    270.301  150.657 9.9300  136.304 8.2112  14.35312       12.88523 
1 1 1 -17 -16 30 o 99.093  5.6673  1206.79    135.700  1082.76    221.168  1281.67    171.849  92.578  10.005  101.794 7.0002  -9.215858      12.21064 
1 1 1 -17 -16 31 o 138.469 6.0151  2353.78    202.095  2373.76    317.760  2340.22    261.886  137.516 9.5830  137.275 7.8957  0.2411957      12.41679 
1 1 1 -17 -16 32 o 65.922  3.7733  531.619    60.105   563.163    85.096   500.215    84.907   67.605  5.2282  63.626  5.5555  3.979103       7.628750 
1 1 1 -17 -16 33 o 59.424  3.7430  432.428    53.694   437.888    75.794   426.928    76.076   59.523  5.3034  58.748  5.3972  0.7748871      7.566814 
1 1 1 -17 -16 34 o 57.882  3.8174  410.748    53.312   420.717    74.211   400.117    76.637   58.305  5.3037  56.774  5.6378  1.531078       7.740393 
1 1 1 -17 -16 35 o 12.178  5.4146  -11.5913   32.116   -26.8666   40.777   13.365     52.121   12.816  5.8596  17.949  7.4002  -5.133467      9.439170 
1 1 1 -17 -16 36 o 42.553  4.5627  224.515    46.375   188.567    61.471   272.001    70.650   38.422  6.8447  46.437  6.4439  -8.015411      9.400716 
1 1 1 -17 -16 37 o 92.842  3.7382  1054.10    84.211   962.510    117.452  1151.00    120.803  88.141  5.5197  96.532  5.1764  -8.390984      7.567176 
1 1 1 -17 -16 38 o 75.568  3.8778  701.137    70.864   567.135    96.926   855.015    103.866  67.367  5.9922  83.099  5.1770  -15.73234      7.918836 
1 1 1 -17 -16 39 o 19.761  6.5278  46.835     36.377   -17.7603   44.818   171.549    62.275   14.167  6.3406  36.346  7.3147  -22.17883      9.680251 
1 1 1 -17 -16 40 o 63.718  3.9209  500.029    60.325   505.378    81.903   493.686    89.188   63.654  5.3525  62.716  5.9313  0.9387703      7.989390 
1 1 1 -17 -16 41 o 103.564 3.8909  1317.08    97.774   1198.71    137.114  1439.53    139.463  97.928  5.7963  107.701 5.3367  -9.773567      7.878937 
1 1 1 -17 -16 42 o 56.118  4.9533  392.950    66.755   355.110    83.364   460.580    111.448  52.736  6.6636  59.602  7.9011  -6.866028      10.33592 
1 1 1 -17 -16 43 o 41.811  5.5811  221.582    55.207   191.353    66.787   286.798    98.098   38.176  7.4776  46.265  9.0630  -8.088604      11.74953 
1 1 1 -17 -16 44 o 48.753  4.3930  295.896    51.409   265.049    67.360   338.929    79.560   45.521  6.2645  51.467  6.5170  -5.945332      9.039617 
1 1 1 -17 -16 45 f 23.715  6.8358  73.154     41.492   66.864     49.364   88.296     76.587   23.134  7.6025  26.876  9.4597  -3.741903      12.13605 
1 1 1 -17 -16 46 o 32.533  5.9529  136.772    45.260   168.960    54.330   63.771     81.820   36.084  6.4416  24.995  9.6005  11.08920       11.56137 
1 1 1 -17 -16 47 o 63.307  4.2868  497.878    65.460   384.250    86.069   653.799    100.822  54.672  6.6232  71.908  5.8287  -17.23546      8.822699 
1 1 1 -17 -16 48 o 41.584  7.8482  230.264    76.286   372.665    149.809  180.412    88.639   50.400  12.348  36.000  9.8581  14.39965       15.80013 
1 1 1 -17 -16 49 o 34.039  9.1427  160.094    77.115   -7.6824    155.796  214.538    88.749   26.559  11.859  39.305  9.4270  -12.74663      15.14919 
1 1 1 -17 -16 50 o 46.821  4.5637  275.507    51.188   301.940    67.514   239.770    78.503   48.518  5.8532  42.207  7.9572  6.310081       9.878092 
1 1 1 -17 -16 51 o 13.344  5.8061  -3.2486    35.133   -42.2584   42.510   80.813     62.403   12.006  5.6538  25.043  8.5528  -13.03652      10.25262 
1 1 1 -17 -16 52 o 41.533  4.8684  219.404    48.131   213.957    62.831   227.141    74.879   40.230  6.6704  40.880  7.8341  -0.6501656     10.28914 
1 1 1 -17 -16 53 o 11.936  5.3906  -14.7774   33.227   -52.4225   40.629   61.254     57.740   11.070  5.3016  22.521  8.1792  -11.45136      9.747120 
1 1 1 -17 -16 54 o 17.629  6.8913  28.667     42.721   28.744     50.314   28.466     80.869   18.499  7.4000  21.550  9.0752  -3.051041      11.70980 
1 1 1 -17 -16 55 o 18.708  6.9439  39.109     41.980   30.604     49.724   60.212     78.328   18.559  7.3785  23.561  9.2942  -5.001978      11.86697 
1 1 1 -17 -16 56 o 52.478  4.8791  352.137    61.415   296.213    81.732   424.666    93.078   46.536  7.4927  56.260  6.9675  -9.724236      10.23163 
1 1 1 -17 -16 57 o 34.015  7.2303  159.445    57.835   59.769     66.576   466.038    116.763  22.655  8.6701  57.509  8.6343  -34.85442      12.23608 
1 1 1 -17 -16 58 o 34.653  6.8844  163.650    55.845   199.286    64.092   51.297     113.803  38.153  7.1870  25.082  10.673  13.07094       12.86757 
1 1 1 -17 -16 59 o 26.875  7.1767  99.874     47.681   101.726    58.583   96.241     82.066   26.897  8.2184  26.659  9.7405  0.2380848      12.74435 
1 1 1 -17 -16 60 o 17.624  6.7154  32.223     39.832   62.823     47.159   -43.9382   74.401   21.922  7.4355  16.611  7.7090  5.310289       10.71053 
1 1 1 -17 -16 61 o 64.038  9.4321  593.969    142.169  -286.6619  313.667  821.656    159.493  26.858  13.261  76.196  8.7877  -49.33881      15.90841 
1 1 1 -17 -16 62 o 31.539  11.708  156.331    119.360  36.870     274.009  184.307    132.602  30.549  14.376  33.424  12.354  -2.874414      18.95516 
1 1 1 -17 -15 1  o 49.359  4.9600  300.761    58.599   299.443    97.948   301.496    73.131   48.437  8.6514  49.167  6.2729  -0.7303009     10.68630 
1 1 1 -17 -15 2  o 43.688  6.7725  239.936    69.469   0.0000     0.0000   239.936    69.469   ?       ?       43.688  6.7725  0.000000       6.772522 
1 1 1 -17 -15 3  f 117.928 3.8760  1694.14    110.908  1561.53    172.327  1787.91    144.908  112.664 6.3295  120.994 4.9359  -8.330505      8.026522 
1 1 1 -17 -15 4  o 85.345  3.6010  886.646    74.571   820.839    117.520  931.001    96.483   81.665  5.9722  87.246  4.5736  -5.581017      7.522266 
1 1 1 -17 -15 5  o 95.192  3.6824  1103.06    85.055   877.984    131.689  1264.16    111.411  84.390  6.4807  101.821 4.5095  -17.43146      7.895267 
1 1 1 -17 -15 6  o 67.287  3.6565  552.653    59.474   431.309    92.280   638.865    77.783   58.969  6.5607  72.259  4.4581  -13.29035      7.932047 
1 1 1 -17 -15 7  o 98.954  5.5982  1200.35    133.863  1017.85    210.233  1324.80    173.605  90.108  9.7722  103.694 6.9400  -13.58634      11.98580 
1 1 1 -17 -15 8  o 106.560 5.6231  1391.26    144.875  1288.81    226.304  1462.40    188.584  101.685 9.2742  108.928 7.1753  -7.243690      11.72584 
1 1 1 -17 -15 9  o 160.942 6.4596  3171.66    252.256  2703.62    383.702  3527.93    334.771  147.008 10.833  169.281 8.1503  -22.27382      13.55685 
1 1 1 -17 -15 10 o 128.190 3.9928  2000.56    124.193  1771.84    186.408  2183.12    166.539  120.143 6.4176  133.760 5.1313  -13.61674      8.216837 
1 1 1 -17 -15 11 o 100.879 3.7940  1238.47    92.868   997.110    140.194  1427.19    123.968  90.027  6.4608  108.201 4.7219  -18.17356      8.002378 
1 1 1 -17 -15 12 o 112.775 4.2543  1548.95    116.414  1434.42    209.949  1599.80    139.889  107.693 8.0937  114.523 5.0342  -6.829826      9.531591 
1 1 1 -17 -15 13 o 60.956  6.9531  461.115    100.999  461.115    100.999  0.0000     0.0000   60.956  6.9531  ?       ?       0.000000       6.953123 
1 1 1 -17 -15 14 o 134.192 6.3565  2203.30    206.970  2203.30    206.970  0.0000     0.0000   134.192 6.3565  ?       ?       0.000000       6.356474 
1 1 1 -17 -15 15 o 209.972 6.0120  5389.46    306.296  5154.43    384.586  5797.13    506.501  204.836 7.7379  216.488 9.6423  -11.65248      12.36323 
1 1 1 -17 -15 16 f 309.241 6.6824  11710.71   501.413  11916.44   722.356  11519.41   696.557  310.421 9.5904  305.318 9.4024  5.102753       13.43061 
1 1 1 -17 -15 17 o 198.643 4.8974  4811.31    236.048  5016.84    347.881  4635.95    321.341  202.286 7.0876  194.535 6.8078  7.751862       9.827518 
1 1 1 -17 -15 18 o 122.431 3.9825  1824.58    118.306  1827.61    181.894  1822.37    155.751  122.098 6.1595  122.206 5.2526  -0.1080475     8.095069 
1 1 1 -17 -15 19 o 49.195  4.0481  296.608    47.892   312.979    72.383   283.861    63.871   50.241  6.0600  47.892  5.6022  2.349094       8.252777 
1 1 1 -17 -15 20 o 108.306 3.6974  1427.27    97.165   1634.95    141.222  1240.59    133.894  115.775 5.0272  100.650 5.5034  15.12554       7.453857 
1 1 1 -17 -15 21 o 109.167 5.1170  1453.99    135.541  1766.40    184.747  1089.83    199.465  119.976 6.3691  93.585  8.8909  26.39064       10.93678 
1 1 1 -17 -15 22 o 129.663 5.3695  2052.54    168.931  2226.02    229.923  1849.03    249.029  134.544 7.0677  122.227 8.4488  12.31721       11.01519 
1 1 1 -17 -15 23 o 168.495 6.1123  3472.92    249.891  3821.96    342.858  3077.39    364.978  176.237 8.0178  157.387 9.6032  18.84984       12.51022 
1 1 1 -17 -15 24 o 105.242 5.4326  1356.25    138.253  1319.54    170.409  1426.95    236.482  103.528 6.8220  107.060 9.1926  -3.531975      11.44744 
1 1 1 -17 -15 25 o 103.922 5.1739  1318.38    130.465  0.0000     0.0000   1318.38    130.465  ?       ?       103.922 5.1739  0.000000       5.173948 
1 1 1 -17 -15 26 o 59.570  8.0054  444.555    112.781  0.0000     0.0000   444.555    112.781  ?       ?       59.570  8.0054  0.000000       8.005351 
1 1 1 -17 -15 27 o 94.501  5.1477  1093.76    117.591  0.0000     0.0000   1093.76    117.591  ?       ?       94.501  5.1477  0.000000       5.147697 
1 1 1 -17 -15 28 o 87.100  3.8658  923.954    81.700   1023.66    124.609  848.776    108.202  91.308  5.6522  83.159  5.3915  8.148956       7.811255 
1 1 1 -17 -15 29 o 113.203 5.7109  1572.44    156.358  1617.24    250.348  1543.79    200.209  113.823 9.1418  111.730 7.4273  2.092651       11.77865 
1 1 1 -17 -15 30 o 41.413  8.7215  220.288    84.869   14.086     132.072  365.326    110.765  27.316  11.556  53.616  8.8211  -26.29952      14.53762 
1 1 1 -17 -15 31 o 51.565  7.6167  335.078    92.430   450.859    138.493  242.085    124.117  59.310  9.9777  43.034  11.616  16.27668       15.31309 
1 1 1 -17 -15 32 o 81.486  3.7741  809.486    74.622   697.105    102.706  935.143    108.604  75.184  5.6717  87.253  5.1526  -12.06877      7.662778 
1 1 1 -17 -15 33 o 13.100  5.6518  -3.2373    32.730   -28.1426   41.064   40.149     54.199   12.811  5.8658  20.850  7.8600  -8.038814      9.807527 
1 1 1 -17 -15 34 o 65.694  3.9076  528.699    62.006   574.233    84.768   476.299    90.935   68.237  5.1578  61.889  6.1364  6.347420       8.016147 
1 1 1 -17 -15 35 o 61.655  4.0241  466.507    59.870   401.518    80.519   546.869    89.536   56.782  5.9317  66.439  5.6064  -9.656826      8.161957 
1 1 1 -17 -15 36 o 54.574  4.0818  366.347    53.660   338.663    71.833   401.301    80.715   52.095  5.7803  56.715  5.9542  -4.620159      8.298435 
1 1 1 -17 -15 37 o 64.453  3.9022  510.067    60.739   497.817    82.722   524.396    89.471   63.318  5.4371  64.914  5.7396  -1.596497      7.905972 
1 1 1 -17 -15 38 o 69.304  3.9021  589.946    65.351   539.909    89.753   646.407    95.340   65.836  5.6740  72.135  5.4882  -6.299133      7.893961 
1 1 1 -17 -15 39 o 121.343 4.0087  1805.59    118.029  1673.16    166.857  1938.21    166.980  115.926 5.9521  125.134 5.4995  -9.208298      8.103790 
1 1 1 -17 -15 40 o 34.480  5.0293  149.786    40.838   159.746    52.550   134.600    64.890   35.270  6.3752  31.928  8.2994  3.342041       10.46536 
1 1 1 -17 -15 41 o 12.608  5.5754  -9.6252    33.609   18.755     38.779   -95.2912   67.373   16.374  6.5140  14.009  6.7395  2.365192       9.373026 
1 1 1 -17 -15 42 o 49.729  5.2698  310.225    62.618   320.114    76.307   289.838    109.569  50.138  6.4199  46.187  10.062  3.950394       11.93522 
1 1 1 -17 -15 43 o 27.563  6.9592  99.759     46.550   80.347     56.800   139.468    81.238   25.187  8.1479  32.241  9.6395  -7.054232      12.62175 
1 1 1 -17 -15 44 o 36.079  5.1910  164.934    44.134   158.712    58.242   173.324    67.637   34.779  7.1408  36.118  7.9347  -1.339054      10.67479 
1 1 1 -17 -15 45 o 31.567  5.8669  128.541    43.283   115.846    56.173   147.091    67.904   29.517  7.7459  33.081  8.4339  -3.564856      11.45120 
1 1 1 -17 -15 46 o 43.641  4.7372  238.827    49.357   240.158    65.099   237.028    75.696   43.203  6.4039  42.434  7.6324  0.7692909      9.963145 
1 1 1 -17 -15 47 o 40.076  5.1925  203.394    49.306   231.956    64.588   163.499    76.333   42.376  6.4880  34.626  9.0018  7.750076       11.09629 
1 1 1 -17 -15 48 o 48.153  7.4606  304.292    84.349   490.711    158.615  230.786    99.600   58.721  11.544  40.615  10.138  18.10630       15.36381 
1 1 1 -17 -15 49 o 21.748  8.4048  46.020     62.991   150.009    131.212  14.877     71.806   33.536  12.307  20.159  8.5238  13.37641       14.97045 
1 1 1 -17 -15 50 o 41.941  5.0142  223.098    50.015   188.614    64.820   273.839    78.628   37.596  7.3691  45.483  7.3775  -7.886776      10.42740 
1 1 1 -17 -15 51 o 33.912  5.5770  148.848    44.295   96.808     56.984   228.296    70.409   26.780  8.0884  41.395  7.2755  -14.61563      10.87910 
1 1 1 -17 -15 52 o 51.891  4.5374  339.108    56.556   315.698    74.353   371.247    87.121   49.194  6.3792  53.084  6.9292  -3.889713      9.418487 
1 1 1 -17 -15 53 o 48.338  4.6226  295.660    53.557   210.936    71.046   407.181    81.510   39.313  7.7234  56.000  6.0972  -16.68693      9.840120 
1 1 1 -17 -15 54 o 27.522  7.4351  104.204    50.824   27.021     61.735   266.553    89.535   19.590  8.0625  43.493  8.7865  -23.90323      11.92510 
1 1 1 -17 -15 55 o 17.816  6.8542  31.682     41.745   24.859     47.806   53.589     85.661   17.790  7.1789  23.572  9.5753  -5.781933      11.96764 
1 1 1 -17 -15 56 o 36.069  6.3804  174.031    53.797   155.558    64.445   216.494    97.706   33.198  8.0774  37.786  10.351  -4.587563      13.12982 
1 1 1 -17 -15 57 o 63.801  5.4722  525.868    83.894   539.310    96.860   485.499    167.854  63.981  6.3219  54.279  12.929  9.701138       14.39224 
1 1 1 -17 -15 58 o 10.337  4.9201  -39.5488   33.859   -52.9884   37.770   15.461     76.413   10.431  5.0252  20.107  8.6554  -9.675759      10.00839 
1 1 1 -17 -15 59 o 37.278  5.9832  183.727    52.289   132.112    65.249   276.374    87.417   30.397  8.5097  44.291  8.4424  -13.89405      11.98702 
1 1 1 -17 -15 60 o 15.472  7.2414  -50.6709   67.924   -391.1161  247.480  -22.9364   70.636   22.723  11.314  17.198  7.8044  5.524740       13.74504 
1 1 1 -17 -15 61 o 45.211  11.210  320.943    122.367  142.717    282.996  361.928    135.709  33.838  15.458  47.479  11.825  -13.64057      19.46206 
1 1 1 -17 -15 62 o 36.124  11.619  214.186    115.630  248.057    277.402  207.064    127.208  36.054  15.977  35.159  12.202  0.8946381      20.10369 
1 1 1 -17 -14 1  o 95.696  4.3488  1116.86    100.977  1080.14    134.923  1163.62    152.247  93.710  5.9649  97.157  6.4956  -3.447189      8.818916 
1 1 1 -17 -14 2  o 165.665 6.2672  3363.93    251.923  3069.02    375.781  3604.67    339.517  156.746 9.9317  170.876 8.1887  -14.13042      12.87225 
1 1 1 -17 -14 3  o 107.223 3.7555  1399.69    97.705   1213.05    151.769  1531.79    127.684  99.304  6.3317  112.058 4.6960  -12.75470      7.883114 
1 1 1 -17 -14 4  o 47.112  2.7107  270.643    30.856   281.305    53.879   265.439    37.640   47.799  4.7066  46.593  3.3518  1.206074       5.778103 
1 1 1 -17 -14 5  o 125.506 5.3535  1923.62    163.030  1144.98    297.820  2256.78    194.810  94.408  13.375  135.843 5.9103  -41.43526      14.62290 
1 1 1 -17 -14 6  o 32.292  5.2754  130.544    39.907   83.261     70.573   152.770    48.385   26.873  9.0959  34.875  5.9301  -8.002104      10.85827 
1 1 1 -17 -14 7  o 91.273  5.4803  1020.91    120.809  824.580    191.815  1149.99    155.533  81.000  9.9701  96.668  6.6718  -15.66799      11.99650 
1 1 1 -17 -14 8  o 89.464  7.0219  987.091    151.204  0.0000     0.0000   987.091    151.204  ?       ?       89.464  7.0219  0.000000       7.021883 
1 1 1 -17 -14 9  f 133.676 5.9821  2184.21    194.029  1870.60    299.383  2411.34    254.779  122.453 10.168  139.954 7.5304  -17.50014      12.65289 
1 1 1 -17 -14 10 o 51.834  4.0344  329.019    50.341   273.897    75.367   373.421    67.643   46.810  6.8372  55.096  5.1183  -8.286057      8.540708 
1 1 1 -17 -14 11 o 54.662  4.0221  365.655    52.971   246.757    79.081   462.418    71.341   44.224  7.6463  61.404  4.8272  -17.17934      9.042569 
1 1 1 -17 -14 12 o 135.570 6.0602  2246.48    199.350  2246.48    199.350  0.0000     0.0000   135.570 6.0602  ?       ?       0.000000       6.060247 
1 1 1 -17 -14 13 o 150.074 6.4353  2755.39    234.336  2755.39    234.336  0.0000     0.0000   150.074 6.4353  ?       ?       0.000000       6.435290 
1 1 1 -17 -14 14 f 51.282  7.1987  328.491    87.108   328.491    87.108   0.0000     0.0000   51.282  7.1987  ?       ?       0.000000       7.198698 
1 1 1 -17 -14 15 o 236.352 6.1983  6829.81    355.463  7121.07    630.384  6694.03    430.419  239.443 10.850  233.540 7.5957  5.903412       13.24467 
1 1 1 -17 -14 16 o 212.163 5.0132  5488.74    258.078  5660.20    370.147  5326.53    360.019  214.907 7.0984  208.471 7.1173  6.436295       10.05202 
1 1 1 -17 -14 17 o 41.210  4.3629  209.117    42.962   235.943    65.453   188.811    56.947   43.468  6.3972  38.817  6.2590  4.650246       8.949785 
1 1 1 -17 -14 18 o 144.005 4.0691  2524.34    142.182  2809.54    205.358  2261.75    197.050  151.699 5.5791  136.048 5.9693  15.65164       8.170578 
1 1 1 -17 -14 19 o 139.806 4.4695  2380.97    151.619  2596.67    253.236  2260.44    189.298  145.538 7.1711  136.044 5.7346  9.494156       9.182051 
1 1 1 -17 -14 20 o 56.273  3.9368  387.265    53.414   434.899    80.388   349.610    71.473   59.416  5.6438  53.219  5.6200  6.197193       7.964723 
1 1 1 -17 -14 21 o 51.591  5.5057  328.556    67.856   352.554    95.423   304.007    96.512   53.065  7.6305  49.038  8.4143  4.027561       11.35893 
1 1 1 -17 -14 22 o 132.608 5.4217  2146.58    174.449  2278.34    237.455  1992.08    257.135  136.111 7.2157  126.938 8.3958  9.172264       11.07050 
1 1 1 -17 -14 23 o 91.189  5.0150  1017.26    110.535  1026.76    148.912  1005.61    164.956  91.306  6.7697  90.178  7.6099  1.127739       10.18525 
1 1 1 -17 -14 24 o 87.707  5.0744  941.586    107.529  0.0000     0.0000   941.586    107.529  ?       ?       87.707  5.0744  0.000000       5.074395 
1 1 1 -17 -14 25 o 23.064  7.7686  61.208     51.476   0.0000     0.0000   61.208     51.476   ?       ?       23.064  7.7686  0.000000       7.768554 
1 1 1 -17 -14 26 o 99.890  5.1752  1221.21    125.003  0.0000     0.0000   1221.21    125.003  ?       ?       99.890  5.1752  0.000000       5.175179 
1 1 1 -17 -14 27 o 55.372  4.6030  376.401    61.283   366.342    90.113   385.056    83.589   54.199  7.0170  55.731  6.2916  -1.531902      9.424553 
1 1 1 -17 -14 28 o 117.139 3.9930  1671.30    113.491  1699.24    161.850  1644.28    159.184  117.879 5.6586  115.957 5.6577  1.921623       8.001838 
1 1 1 -17 -14 29 o 169.509 6.6430  3526.29    273.227  3429.87    413.815  3600.82    363.802  165.532 10.355  170.331 8.8328  -4.798538      13.61044 
1 1 1 -17 -14 30 o 107.349 6.0360  1416.59    156.583  1329.17    242.159  1479.41    205.268  102.866 9.8214  109.242 7.7952  -6.376221      12.53892 
1 1 1 -17 -14 31 o 53.591  7.2305  359.956    91.621   455.402    143.880  294.854    118.828  59.544  10.333  47.630  10.559  11.91417       14.77399 
1 1 1 -17 -14 32 o 54.773  4.2597  368.296    56.167   410.536    74.883   313.966    84.926   57.649  5.4169  49.961  7.2147  7.687954       9.021901 
1 1 1 -17 -14 33 o 84.541  3.8985  871.854    79.971   795.928    110.673  954.811    115.684  80.330  5.7154  88.082  5.4394  -7.752876      7.890031 
1 1 1 -17 -14 34 o 14.032  5.9869  -0.2604    35.978   1.5842     45.582   -3.3083    58.594   15.926  6.7656  17.610  7.5799  -1.684008      10.16016 
1 1 1 -17 -14 35 o 42.140  4.6377  220.029    46.635   237.881    60.444   193.772    73.305   43.578  5.8653  38.739  8.0611  4.839638       9.969100 
1 1 1 -17 -14 36 o 99.433  3.9146  1208.47    94.446   1157.79    131.350  1262.73    135.899  96.790  5.6170  101.112 5.5606  -4.322685      7.903873 
1 1 1 -17 -14 37 o 64.416  4.0651  509.878    63.212   479.997    85.524   545.856    93.845   62.098  5.7410  66.207  5.9037  -4.109138      8.234849 
1 1 1 -17 -14 38 o 24.018  6.3756  74.216     37.776   89.071     48.766   51.928     59.732   26.286  7.3560  22.469  8.2944  3.816992       11.08634 
1 1 1 -17 -14 39 o 50.149  4.3716  311.192    52.663   297.138    69.473   330.176    80.743   48.570  6.0244  51.031  6.6814  -2.460888      8.996356 
1 1 1 -17 -14 40 o 49.303  4.3734  301.186    51.776   293.627    69.358   310.701    77.813   48.218  6.0623  49.427  6.6575  -1.209446      9.004088 
1 1 1 -17 -14 41 o 50.671  5.2320  321.250    63.401   349.383    78.390   268.040    107.807  52.530  6.2743  44.458  10.209  8.071953       11.98310 
1 1 1 -17 -14 42 o 59.802  5.0358  445.945    72.391   468.796    90.273   404.776    121.169  60.914  6.1939  55.168  9.3881  5.745239       11.24727 
1 1 1 -17 -14 43 o 44.567  5.5616  251.019    58.833   190.259    72.642   366.869    100.305  37.864  8.1483  53.000  8.0531  -15.13671      11.45632 
1 1 1 -17 -14 44 o 38.914  4.6399  189.837    42.946   183.533    58.803   197.044    62.870   37.629  6.6854  38.944  6.9062  -1.314980      9.611960 
1 1 1 -17 -14 45 o 72.899  4.0214  656.587    70.857   686.071    96.427   621.979    104.469  73.992  5.4084  70.078  6.2081  3.913620       8.233568 
1 1 1 -17 -14 46 o 85.091  4.0032  892.373    82.652   825.208    113.833  967.266    120.203  80.929  5.8361  87.734  5.6770  -6.804634      8.141761 
1 1 1 -17 -14 47 o 94.655  5.2365  1121.08    119.800  857.259    252.052  1198.08    136.164  75.860  14.216  97.541  5.7790  -21.68037      15.34547 
1 1 1 -17 -14 48 o 18.084  7.7131  6.0550     59.679   -192.1064  133.723  55.339     66.688   19.007  9.2288  23.000  8.7072  -3.993002      12.68800 
1 1 1 -17 -14 49 o 11.233  5.4967  -91.8939   50.132   -308.3006  110.415  -35.6983   56.266   14.234  7.1547  14.823  6.8161  -0.5887642     9.881773 
1 1 1 -17 -14 50 o 35.216  5.4375  159.339    44.966   170.086    57.993   143.138    71.206   35.845  6.9183  32.209  8.8421  3.636105       11.22703 
1 1 1 -17 -14 51 o 47.393  4.7456  283.519    53.839   227.687    70.256   362.954    83.801   41.349  7.2678  52.738  6.7000  -11.38898      9.884914 
1 1 1 -17 -14 52 o 44.879  4.7134  254.946    50.559   254.109    66.177   256.120    78.359   44.075  6.3731  43.567  7.6938  0.5075188      9.990582 
1 1 1 -17 -14 53 o 53.254  4.6982  358.754    60.086   343.906    77.719   380.816    94.735   51.267  6.3863  53.257  7.5420  -1.990112      9.882589 
1 1 1 -17 -14 54 o 12.273  5.6424  -24.3233   38.528   -43.9209   42.998   55.502     86.779   11.941  5.6420  23.920  9.6653  -11.97910      11.19150 
1 1 1 -17 -14 55 o 27.328  6.8875  102.033    45.653   126.949    52.819   28.439     90.776   30.366  7.2659  22.324  9.5170  8.041851       11.97360 
1 1 1 -17 -14 56 o 43.312  6.3072  248.621    64.338   240.714    71.594   281.804    146.663  42.039  7.2825  40.869  13.079  1.170540       14.97023 
1 1 1 -17 -14 57 o 17.170  7.0712  19.070     47.525   -8.5665    50.444   237.334    141.760  15.342  6.8051  37.712  12.891  -22.37015      14.57687 
1 1 1 -17 -14 58 o 10.683  5.0965  -44.2799   36.774   -60.1121   41.061   19.886     82.664   10.741  5.1903  21.010  9.0224  -10.26907      10.40875 
1 1 1 -17 -14 59 f 25.594  7.1925  90.073     46.521   83.029     53.643   111.442    93.433   24.662  7.9120  28.343  10.387  -3.680689      13.05757 
1 1 1 -17 -14 60 o 19.938  9.2667  -52.3069   108.143  -377.7200  249.316  23.108     120.022  23.022  11.446  24.124  10.608  -1.101984      15.60576 
1 1 1 -17 -14 61 o 29.131  11.412  117.248    117.349  210.539    265.771  94.656     130.788  35.584  15.710  28.205  11.684  7.378616       19.57821 
1 1 1 -17 -14 62 o 26.664  11.000  83.588     115.244  160.124    267.464  66.139     127.707  33.418  15.173  26.272  11.246  7.146441       18.88683 
1 1 1 -17 -13 1  o 79.229  4.9653  769.257    94.971   576.322    149.051  901.121    123.223  67.587  9.3383  85.596  5.9704  -18.00866      11.08377 
1 1 1 -17 -13 2  o 96.805  5.0849  1147.08    119.020  941.394    181.482  1302.31    157.661  86.885  8.7264  102.921 6.3442  -16.03571      10.78881 
1 1 1 -17 -13 3  o 115.709 3.7971  1629.69    106.606  1509.34    164.464  1716.90    140.002  110.894 6.1361  118.638 4.8634  -7.744576      7.829715 
1 1 1 -17 -13 4  o 131.421 4.0057  2102.87    127.735  1750.45    194.258  2371.32    169.542  119.333 6.7365  139.418 5.0118  -20.08494      8.396330 
1 1 1 -17 -13 5  o 61.420  3.5756  460.475    53.056   499.013    82.704   433.524    69.163   63.710  5.4009  59.434  4.8380  4.275719       7.250899 
1 1 1 -17 -13 6  o 207.093 5.0598  5231.21    254.250  4633.27    374.372  5743.08    346.383  194.136 7.9476  216.584 6.5912  -22.44826      10.32511 
1 1 1 -17 -13 7  o 92.260  5.4379  1042.52    121.193  999.719    196.210  1068.92    154.105  89.561  9.1578  93.167  6.8653  -3.605713      11.44542 
1 1 1 -17 -13 8  o 117.590 5.7023  1688.65    162.700  1371.22    253.375  1911.37    212.237  104.780 10.091  124.697 7.0434  -19.91759      12.30586 
1 1 1 -17 -13 9  o 99.287  5.5915  1207.22    134.157  920.256    210.898  1402.27    173.871  85.592  10.366  106.816 6.7431  -21.22449      12.36649 
1 1 1 -17 -13 10 o 129.635 3.9744  2045.23    125.015  1985.27    186.787  2093.89    168.256  127.459 6.0397  131.009 5.2930  -3.550255      8.030782 
1 1 1 -17 -13 11 o 157.319 6.4076  3026.97    244.591  3026.97    244.591  0.0000     0.0000   157.319 6.4076  ?       ?       0.000000       6.407574 
1 1 1 -17 -13 12 o 119.525 5.8617  1744.91    169.998  1744.91    169.998  0.0000     0.0000   119.525 5.8617  ?       ?       0.000000       5.861664 
1 1 1 -17 -13 13 o 102.831 6.0762  1296.54    150.933  1296.54    150.933  0.0000     0.0000   102.831 6.0762  ?       ?       0.000000       6.076180 
1 1 1 -17 -13 14 o 94.350  3.7103  1082.89    84.941   1168.75    120.231  997.320    120.020  97.774  5.0855  90.235  5.5081  7.538910       7.496707 
1 1 1 -17 -13 15 o 157.479 4.2446  3019.27    162.188  3140.28    233.809  2907.04    225.172  160.322 6.0104  154.252 6.0162  6.069717       8.504086 
1 1 1 -17 -13 16 o 90.409  3.9418  994.645    86.470   1167.35    143.978  897.204    108.147  97.549  6.1138  85.610  5.2314  11.93906       8.046434 
1 1 1 -17 -13 17 f 105.037 3.7313  1342.16    95.098   1411.80    138.037  1279.24    131.202  107.581 5.2881  102.269 5.3055  5.312111       7.490793 
1 1 1 -17 -13 18 o 123.743 3.8458  1863.08    115.469  1820.15    166.932  1902.46    159.891  122.106 5.6343  124.884 5.2766  -2.778030      7.719302 
1 1 1 -17 -13 19 o 160.090 4.3276  3120.79    168.102  3293.81    241.880  2959.15    233.790  164.175 6.0720  155.589 6.1927  8.586365       8.672875 
1 1 1 -17 -13 20 o 119.629 3.7995  1741.22    110.287  1898.64    159.837  1598.16    152.370  124.754 5.2803  114.432 5.4877  10.32180       7.615536 
1 1 1 -17 -13 21 f 102.008 5.1732  1272.40    127.624  1474.60    173.652  1034.91    188.199  109.584 6.5610  91.299  8.5967  18.28484       10.81434 
1 1 1 -17 -13 22 o 116.536 5.2747  1656.93    149.149  1822.15    201.958  1458.72    221.212  121.784 6.8625  108.550 8.4657  13.23361       10.89778 
1 1 1 -17 -13 23 o 95.027  5.0216  1104.26    115.373  1096.71    154.501  1113.79    173.465  94.392  6.7912  94.959  7.5920  -0.5668259     10.18621 
1 1 1 -17 -13 24 o 199.860 6.8148  4893.43    330.479  0.0000     0.0000   4893.43    330.479  ?       ?       199.860 6.8148  0.000000       6.814795 
1 1 1 -17 -13 25 o 60.098  5.4333  444.501    78.372   0.0000     0.0000   444.501    78.372   ?       ?       60.098  5.4333  0.000000       5.433272 
1 1 1 -17 -13 26 o 172.611 4.8830  3633.83    204.514  3637.51    294.213  3630.38    284.484  172.209 7.0411  172.100 6.8126  0.1090240      9.797386 
1 1 1 -17 -13 27 o 110.861 4.1671  1497.01    112.092  1684.50    162.611  1327.27    154.726  117.394 5.7088  103.964 6.1611  13.42956       8.399331 
1 1 1 -17 -13 28 o 95.999  3.8307  1122.01    89.230   1097.94    124.181  1147.70    128.300  94.644  5.4302  96.761  5.4872  -2.117554      7.719906 
1 1 1 -17 -13 29 o 85.697  6.2249  904.308    128.553  718.140    195.774  1045.43    170.449  75.049  11.084  91.827  7.7216  -16.77782      13.50885 
1 1 1 -17 -13 30 f 15.426  7.1979  -62.0772   66.268   -38.2920   88.739   -92.0647   99.640   19.840  8.8975  18.894  8.8193  0.9456615      12.52779 
1 1 1 -17 -13 31 o 22.960  8.9996  39.894     73.010   -49.1227   107.339  116.534    99.598   21.620  9.7333  31.607  10.805  -9.987133      14.54266 
1 1 1 -17 -13 32 o 68.984  4.0134  582.213    66.887   605.439    90.633   554.433    99.120   70.125  5.3674  66.926  6.1734  3.198586       8.180448 
1 1 1 -17 -13 33 o 83.309  3.8388  846.354    77.599   862.173    107.745  829.305    111.852  83.721  5.3317  82.032  5.6540  1.688271       7.771412 
1 1 1 -17 -13 34 o 112.987 3.9264  1558.03    107.644  1572.84    150.539  1542.53    153.982  113.204 5.4805  111.920 5.6889  1.284500       7.899384 
1 1 1 -17 -13 35 o 115.434 3.9458  1627.42    110.519  1565.28    155.100  1691.52    157.524  112.667 5.6919  117.309 5.5341  -4.641891      7.938812 
1 1 1 -17 -13 36 o 61.176  4.1515  459.846    61.259   429.396    82.222   497.838    91.841   58.738  5.8468  63.231  6.0604  -4.492840      8.420952 
1 1 1 -17 -13 37 o 17.367  6.4382  29.409     36.065   46.749     46.650   3.6530     56.857   20.714  7.3730  17.808  7.5602  2.906734       10.56017 
1 1 1 -17 -13 38 o 19.884  6.2837  48.528     33.932   103.557    44.158   -30.8234   53.026   28.315  6.5565  14.785  6.7297  13.52939       9.395567 
1 1 1 -17 -13 39 o 30.292  5.4808  116.790    38.801   109.248    52.637   125.766    57.421   28.952  7.4497  31.017  7.6721  -2.065317      10.69384 
1 1 1 -17 -13 40 o 86.286  3.7517  912.263    78.548   844.446    111.191  979.816    110.975  82.343  5.5984  88.890  5.1676  -6.546783      7.618788 
1 1 1 -17 -13 41 o 23.164  7.0898  68.083     43.578   85.032     51.740   26.718     80.833   25.695  7.6953  22.337  9.2132  3.358480       12.00416 
1 1 1 -17 -13 42 o 20.916  7.0173  52.556     42.000   57.393     49.733   40.529     78.426   22.089  7.6317  23.061  9.2339  -0.9720039     11.97942 
1 1 1 -17 -13 43 o 50.714  5.2594  322.697    63.777   288.438    77.957   392.027    110.900  47.315  7.0017  54.545  8.6695  -7.229794      11.14377 
1 1 1 -17 -13 44 o 75.638  4.3380  708.203    79.283   630.847    124.380  761.144    102.896  70.033  7.4332  77.972  5.4734  -7.939796      9.230969 
1 1 1 -17 -13 45 o 106.028 4.0416  1384.91    103.977  1421.98    148.147  1348.93    145.967  106.469 5.7560  103.648 5.8277  2.821045       8.191087 
1 1 1 -17 -13 46 o 122.093 4.1908  1839.67    124.150  1789.05    177.419  1888.24    173.787  119.094 6.1607  122.721 5.8363  -3.626137      8.486271 
1 1 1 -17 -13 47 o 116.296 6.4158  1715.03    180.341  1401.31    305.995  1881.99    223.231  98.677  13.104  120.748 7.6589  -22.07092      15.17821 
1 1 1 -17 -13 48 f 45.223  8.0335  271.885    84.923   128.261    164.152  324.373    99.235   33.597  13.391  49.181  8.6305  -15.58463      15.93096 
1 1 1 -17 -13 49 o 79.366  4.4079  783.914    84.551   727.576    106.251  881.193    139.617  75.744  5.8259  82.605  7.0327  -6.860954      9.132305 
1 1 1 -17 -13 50 o 48.923  4.6401  300.790    54.422   270.368    70.820   344.659    85.045   45.567  6.5973  51.330  7.0118  -5.763119      9.627558 
1 1 1 -17 -13 51 o 35.815  5.8948  166.723    49.444   191.373    60.658   117.911    85.356   38.033  6.8237  29.476  10.003  8.556862       12.10898 
1 1 1 -17 -13 52 o 26.228  7.0232  92.737     45.588   51.377     54.837   185.274    82.024   21.367  7.9354  36.145  9.2991  -14.77729      12.22466 
1 1 1 -17 -13 53 o 55.367  4.7787  388.100    63.569   342.796    82.337   454.954    100.022  50.924  6.8362  58.518  7.1961  -7.593334      9.925582 
1 1 1 -17 -13 54 o 12.899  5.8887  -21.9304   40.988   -21.2343   46.237   -24.4846   88.566   13.872  6.3024  19.333  8.7597  -5.461575      10.79133 
1 1 1 -17 -13 55 o 44.288  5.6320  254.974    59.153   229.092    73.761   301.616    99.019   40.793  7.7351  45.893  9.2123  -5.099983      12.02903 
1 1 1 -17 -13 56 o 23.936  7.5581  77.693     49.101   83.435     52.815   41.130     133.279  24.714  7.8426  25.902  11.289  -1.188164      13.74559 
1 1 1 -17 -13 57 f 20.449  7.2478  51.557     45.033   63.474     47.493   -54.6470   141.780  22.065  7.4618  22.717  10.576  -0.6523075     12.94315 
1 1 1 -17 -13 58 o 31.440  6.5870  133.644    48.640   145.887    57.287   102.020    92.070   32.480  7.4303  27.558  10.273  4.921967       12.67825 
1 1 1 -17 -13 59 o 22.523  7.0784  67.870     43.113   65.672     48.321   76.452     95.468   22.386  7.5268  25.766  10.230  -3.379469      12.70066 
1 1 1 -17 -13 60 o 54.425  10.706  445.931    136.339  242.489    292.168  502.564    154.152  37.247  16.456  56.964  11.548  -19.71706      20.10405 
1 1 1 -17 -13 61 o 41.088  11.269  267.592    115.723  195.219    260.348  285.412    129.186  35.044  15.506  41.700  12.074  -6.656197      19.65268 
1 1 1 -17 -13 62 o 41.974  10.928  279.534    112.388  462.171    355.654  259.273    118.459  41.121  18.163  39.737  11.578  1.384773       21.53952 
1 1 1 -17 -12 1  o 106.087 5.2127  1374.04    134.179  1024.75    204.412  1638.48    177.861  90.508  9.4472  115.496 6.3714  -24.98794      11.39490 
1 1 1 -17 -12 2  o 130.939 5.4532  2093.89    173.256  2045.02    258.224  2133.90    233.657  128.584 8.3211  131.634 7.3448  -3.049667      11.09894 
1 1 1 -17 -12 3  o 18.116  5.3501  40.648     25.142   -4.7378    40.640   68.791     32.002   14.561  6.2899  23.272  5.7102  -8.711188      8.495198 
1 1 1 -17 -12 4  o 37.654  4.0767  174.614    36.652   166.010    57.916   180.361    47.336   36.235  6.8381  38.093  5.2618  -1.858482      8.628261 
1 1 1 -17 -12 5  o 213.999 5.1135  5585.69    265.516  5283.24    390.480  5845.80    362.115  207.407 7.7591  218.470 6.8311  -11.06219      10.33768 
1 1 1 -17 -12 6  o 248.567 5.7575  7545.72    347.250  6651.73    505.767  8342.95    477.613  232.283 8.9736  260.749 7.5490  -28.46579      11.72663 
1 1 1 -17 -12 7  o 285.983 9.0765  10084.05   629.831  9720.59    922.712  10401.13   861.831  277.963 13.681  288.509 12.311  -10.54660      18.40469 
1 1 1 -17 -12 8  o 232.946 7.8455  6662.50    443.442  6261.57    657.382  6997.27    600.690  223.671 12.158  237.651 10.417  -13.97971      16.01075 
1 1 1 -17 -12 9  o 158.059 6.2623  3053.92    240.170  2866.87    368.345  3192.25    316.765  151.932 10.049  160.985 8.1357  -9.053619      12.92915 
1 1 1 -17 -12 10 o 104.995 5.7302  1349.80    145.430  1349.80    145.430  0.0000     0.0000   104.995 5.7302  ?       ?       0.000000       5.730157 
1 1 1 -17 -12 11 o 80.563  8.8537  808.347    170.216  808.347    170.216  0.0000     0.0000   80.563  8.8537  ?       ?       0.000000       8.853673 
1 1 1 -17 -12 12 o 206.485 7.0894  5222.08    355.190  5222.08    355.190  0.0000     0.0000   206.485 7.0894  ?       ?       0.000000       7.089375 
1 1 1 -17 -12 13 o 105.550 3.6962  1355.11    94.664   1385.51    134.799  1325.53    132.969  106.591 5.2120  104.120 5.2805  2.471344       7.419453 
1 1 1 -17 -12 14 o 152.265 4.1490  2821.96    153.289  3048.36    221.001  2612.05    212.798  158.017 5.7640  146.234 5.9973  11.78285       8.318157 
1 1 1 -17 -12 15 o 158.460 4.2397  3056.68    163.012  3241.11    234.796  2885.07    226.496  162.904 5.9401  153.673 6.0743  9.231171       8.496010 
1 1 1 -17 -12 16 o 95.752  3.6362  1115.11    84.481   1217.37    123.238  1024.45    116.037  99.796  5.1065  91.505  5.2481  8.291206       7.322516 
1 1 1 -17 -12 17 o 220.580 5.2403  5933.75    280.471  6158.25    401.165  5719.08    392.275  224.144 7.3762  215.971 7.4857  8.173111       10.50922 
1 1 1 -17 -12 18 o 102.418 3.7169  1275.95    92.368   1279.09    133.772  1273.08    127.695  102.254 5.4109  102.048 5.1740  0.2052231      7.486547 
1 1 1 -17 -12 19 o 117.688 3.9254  1685.32    112.093  1850.51    162.331  1534.77    154.971  123.155 5.4323  111.979 5.7227  11.17530       7.890483 
1 1 1 -17 -12 20 o 165.826 5.1628  3353.30    207.733  3417.41    254.976  3226.76    358.246  167.197 6.2850  161.527 9.1785  5.670319       11.12409 
1 1 1 -17 -12 21 o 242.238 7.9342  7206.54    466.346  8107.49    646.806  6231.16    672.998  255.811 10.421  222.940 12.491  32.87077       16.26731 
1 1 1 -17 -12 22 o 287.889 9.0495  10217.76   632.140  11273.94   879.183  9087.35    909.553  300.553 12.056  268.197 14.026  32.35635       18.49482 
1 1 1 -17 -12 23 o 237.841 11.177  7034.94    645.030  0.0000     0.0000   7034.94    645.030  ?       ?       237.841 11.177  0.000000       11.17709 
1 1 1 -17 -12 24 o 199.144 6.7660  4856.42    326.937  0.0000     0.0000   4856.42    326.937  ?       ?       199.144 6.7660  0.000000       6.766010 
1 1 1 -17 -12 25 o 31.180  6.9076  123.732    50.884   101.097    115.801  129.148    56.645   31.520  11.562  31.814  7.4664  -0.2941818     13.76354 
1 1 1 -17 -12 26 o 25.163  9.3653  60.522     76.464   122.337    99.511   -28.5882   119.479  32.238  10.802  24.042  10.577  8.196339       15.11795 
1 1 1 -17 -12 27 o 132.342 4.0215  2132.54    129.137  1952.55    181.625  2316.56    183.647  126.368 5.9235  137.719 5.4958  -11.35107      8.080277 
1 1 1 -17 -12 28 o 110.518 4.0089  1487.39    107.503  1586.19    150.778  1385.24    153.319  113.948 5.4534  106.250 5.9713  7.698257       8.086752 
1 1 1 -17 -12 29 o 83.425  6.2273  857.008    125.146  838.362    193.146  870.499    164.298  81.578  9.9650  83.636  8.2016  -2.058563      12.90608 
1 1 1 -17 -12 30 o 120.828 6.2206  1793.75    181.757  1270.45    281.135  2169.55    238.244  99.901  11.828  132.570 7.4365  -32.66957      13.97117 
1 1 1 -17 -12 31 o 136.940 6.2229  2299.88    206.770  2071.24    322.639  2459.24    269.356  128.315 10.454  140.928 7.9091  -12.61293      13.10846 
1 1 1 -17 -12 32 o 30.538  5.9110  118.156    42.217   110.268    56.727   127.947    63.204   29.360  7.8222  31.567  8.1837  -2.207434      11.32076 
1 1 1 -17 -12 33 o 71.519  3.8302  625.420    66.226   650.325    92.238   598.920    95.145   72.686  5.2656  69.655  5.6789  3.031006       7.744449 
1 1 1 -17 -12 34 o 46.144  4.2768  262.299    47.341   323.315    65.478   195.472    68.525   51.074  5.3638  39.106  7.4946  11.96812       9.216277 
1 1 1 -17 -12 35 o 100.015 3.7959  1220.95    92.117   1240.59    130.910  1201.68    129.644  100.367 5.3953  98.766  5.4306  1.600906       7.655115 
1 1 1 -17 -12 36 o 116.799 3.9126  1667.01    110.884  1634.79    158.138  1698.17    155.521  115.215 5.6567  117.489 5.4554  -2.273483      7.858747 
1 1 1 -17 -12 37 o 107.610 4.5586  1420.21    119.027  1448.33    143.411  1357.96    213.382  108.280 5.4763  103.506 8.5735  4.774170       10.17321 
1 1 1 -17 -12 38 o 99.609  3.8077  1213.89    92.029   1259.58    130.912  1169.26    129.398  100.915 5.3657  97.169  5.5110  3.746460       7.691630 
1 1 1 -17 -12 39 o 74.639  3.7858  683.792    68.338   718.203    96.027   648.480    97.275   76.105  5.2320  72.185  5.5976  3.920029       7.662046 
1 1 1 -17 -12 40 o 26.109  6.3345  88.317     39.721   107.053    54.427   66.966     58.101   28.621  7.6783  23.867  8.2487  4.753191       11.26928 
1 1 1 -17 -12 41 o 42.016  5.7600  223.315    57.176   259.224    69.320   146.894    101.126  45.079  6.5274  33.464  10.876  11.61509       12.68420 
1 1 1 -17 -12 42 o 32.127  6.5994  134.011    49.723   111.805    59.276   186.740    91.342   29.126  8.0957  37.100  9.9444  -7.973408      12.82306 
1 1 1 -17 -12 43 o 76.633  5.0526  731.149    93.423   801.235    117.324  609.709    154.436  79.778  6.1073  67.688  9.6787  12.08989       11.44452 
1 1 1 -17 -12 44 o 49.098  4.8046  301.216    56.505   283.808    80.004   318.542    79.816   46.784  7.2849  49.818  6.7790  -3.034241      9.951091 
1 1 1 -17 -12 45 o 84.029  4.0246  869.608    82.056   907.149    117.443  833.803    114.696  85.002  5.7276  81.422  5.8444  3.580238       8.183087 
1 1 1 -17 -12 46 o 71.793  4.2044  638.150    72.921   653.650    105.048  623.734    101.306  71.889  6.0792  70.250  6.0008  1.638527       8.542042 
1 1 1 -17 -12 47 o 105.429 6.1253  1404.60    156.018  1583.71    270.788  1315.60    190.887  108.003 10.464  100.728 7.8728  7.275307       13.09513 
1 1 1 -17 -12 48 o 74.963  7.1761  725.502    128.931  697.659    249.340  735.664    150.633  66.454  15.711  74.634  8.4679  -8.179588      17.84778 
1 1 1 -17 -12 49 o 64.495  4.6145  519.730    71.736   525.027    100.823  514.299    102.088  63.878  6.6002  63.124  6.7710  0.7542038      9.455630 
1 1 1 -17 -12 50 o 45.647  5.5549  266.125    60.257   176.753    83.311   364.165    87.258   35.526  9.4862  52.794  6.9831  -17.26780      11.77928 
1 1 1 -17 -12 51 o 14.453  6.4513  -13.8386   46.067   18.511     59.029   -64.2298   73.674   18.809  7.8250  15.914  7.4780  2.895048       10.82363 
1 1 1 -17 -12 52 o 72.053  4.4287  650.600    77.052   604.256    104.029  706.923    114.684  68.297  6.3503  73.823  6.4677  -5.525993      9.064035 
1 1 1 -17 -12 53 o 52.583  4.9237  351.228    62.090   341.521    78.297   367.675    101.917  51.040  6.4673  51.735  8.4076  -0.6944389     10.60724 
1 1 1 -17 -12 54 o 24.196  7.1129  79.176     44.531   93.545     51.500   36.600     88.648   26.112  7.6416  22.770  9.5407  3.341391       12.22369 
1 1 1 -17 -12 55 o 59.007  4.9372  443.744    70.038   344.911    88.404   610.351    114.779  50.465  7.4431  67.630  7.1005  -17.16478      10.28673 
1 1 1 -17 -12 56 f 15.895  6.7492  7.9342     45.323   7.9342     45.323   0.0000     0.0000   15.895  6.7492  ?       ?       0.000000       6.749200 
1 1 1 -17 -12 57 o 14.113  6.1933  -4.5999    40.735   -2.9164    42.871   -20.2421   130.682  14.605  6.3827  23.143  10.546  -8.538193      12.32688 
1 1 1 -17 -12 58 o 62.045  4.7700  489.164    71.260   410.410    91.143   613.011    114.295  55.440  6.9265  67.765  7.0546  -12.32539      9.886559 
1 1 1 -17 -12 59 o 52.201  5.0887  349.248    63.635   276.523    79.394   479.896    106.414  45.001  7.5378  59.509  7.5387  -14.50879      10.66072 
1 1 1 -17 -12 60 o 24.990  10.177  64.905     97.060   68.247     364.734  64.650     100.691  34.203  16.241  25.186  10.323  9.017782       19.24401 
1 1 1 -17 -12 61 o 38.103  11.182  230.340    110.142  356.662    383.329  218.972    114.991  39.330  17.976  36.875  11.555  2.454700       21.36964 
1 1 1 -17 -11 1  f 56.543  4.5921  392.197    62.458   484.646    96.107   324.604    82.178   62.605  6.4175  51.032  6.8062  11.57219       9.354655 
1 1 1 -17 -11 2  o 137.067 5.5582  2294.11    184.854  2110.50    273.843  2447.82    250.553  130.585 8.6923  141.060 7.3457  -10.47563      11.38050 
1 1 1 -17 -11 3  o 121.305 3.8493  1790.64    113.299  1660.05    173.763  1887.22    149.434  116.362 6.1764  124.411 4.9503  -8.048866      7.915396 
1 1 1 -17 -11 4  o 240.031 5.5516  7032.89    323.331  6490.75    472.386  7510.75    443.497  229.661 8.4771  247.470 7.3859  -17.80904      11.24333 
1 1 1 -17 -11 5  f 246.172 5.6225  7397.64    335.838  7031.90    489.803  7722.15    461.365  239.088 8.4431  250.883 7.5790  -11.79558      11.34575 
1 1 1 -17 -11 6  o 107.789 3.7209  1413.32    97.318   1323.44    147.319  1482.91    129.628  103.937 5.8654  110.309 4.8431  -6.371101      7.606522 
1 1 1 -17 -11 7  o 114.822 5.6321  1609.18    156.913  1354.49    245.501  1785.09    204.028  104.272 9.8189  120.539 7.0061  -16.26730      12.06220 
1 1 1 -17 -11 8  o ?       ?       -235.8976  37.854   -324.9321  58.809   -172.9146  49.462   ?       ?       9.0185  4.5621  0.000000       4.562121 
1 1 1 -17 -11 9  o 51.772  10.779  344.015    131.006  344.015    131.006  0.0000     0.0000   51.772  10.779  ?       ?       0.000000       10.77913 
1 1 1 -17 -11 10 o 58.815  5.0354  424.697    71.167   424.697    71.167   0.0000     0.0000   58.815  5.0354  ?       ?       0.000000       5.035443 
1 1 1 -17 -11 11 o 97.953  4.8645  1169.17    115.616  1169.17    115.616  0.0000     0.0000   97.953  4.8645  ?       ?       0.000000       4.864472 
1 1 1 -17 -11 12 o 208.839 4.9306  5315.06    249.848  4356.05    355.497  6251.13    351.219  188.436 7.7752  226.137 6.4009  -37.70132      10.07098 
1 1 1 -17 -11 13 o 57.258  3.8281  400.592    52.878   463.533    78.671   348.724    71.415   61.423  5.3315  53.167  5.6211  8.256233       7.747328 
1 1 1 -17 -11 14 o 118.314 3.7721  1702.73    108.290  1628.52    156.757  1770.48    149.773  115.526 5.5922  120.512 5.1220  -4.985718      7.583379 
1 1 1 -17 -11 15 o 48.948  3.9902  293.443    46.978   237.684    70.390   338.228    63.084   43.553  6.8901  52.442  5.0189  -8.888969      8.524260 
1 1 1 -17 -11 16 o 198.839 4.8537  4817.57    234.175  5012.14    335.297  4632.28    327.199  202.385 6.8279  194.540 6.9317  7.845642       9.729778 
1 1 1 -17 -11 17 o 96.193  3.7261  1125.49    86.968   1175.41    129.644  1084.64    117.269  98.008  5.4735  94.183  5.1510  3.825012       7.516177 
1 1 1 -17 -11 18 o 55.617  4.1501  378.552    55.601   569.701    88.806   255.309    71.307   68.128  5.4169  45.207  6.7039  22.92109       8.618834 
1 1 1 -17 -11 19 o 71.178  4.0085  618.431    68.947   781.099    104.857  494.534    91.512   79.835  5.4455  63.350  6.0260  16.48513       8.122001 
1 1 1 -17 -11 20 f 10.012  4.9662  -110.0488  45.874   -94.4706   94.017   -114.9167  52.555   18.126  8.4950  11.055  5.4530  7.070428       10.09453 
1 1 1 -17 -11 21 o 119.340 5.6601  1738.42    163.899  2172.66    225.846  1255.27    238.225  133.018 7.0223  100.322 9.9163  32.69657       12.15099 
1 1 1 -17 -11 22 o 114.174 8.0426  1608.84    221.383  0.0000     0.0000   1608.84    221.383  ?       ?       114.174 8.0426  0.000000       8.042625 
1 1 1 -17 -11 23 o 238.463 7.6825  6978.59    444.518  0.0000     0.0000   6978.59    444.518  ?       ?       238.463 7.6825  0.000000       7.682535 
1 1 1 -17 -11 24 o 231.458 6.2146  6549.60    349.022  6791.88    637.304  6445.80    417.139  233.679 11.240  229.217 7.5002  4.462234       13.51251 
1 1 1 -17 -11 25 o 111.705 4.0004  1518.79    108.427  1731.31    160.067  1338.59    147.394  119.087 5.5395  104.518 5.8353  14.56906       8.045953 
1 1 1 -17 -11 26 o 141.451 4.0981  2436.00    140.653  2349.98    200.063  2520.07    197.783  138.661 5.9463  143.639 5.6748  -4.977997      8.219641 
1 1 1 -17 -11 27 o 70.069  3.7930  599.243    64.246   654.228    90.363   543.038    91.360   73.048  5.1308  66.425  5.7243  6.622322       7.687166 
1 1 1 -17 -11 28 o 51.162  4.2294  321.010    52.032   361.191    72.352   277.969    74.883   54.088  5.5938  47.163  6.7349  6.925468       8.754995 
1 1 1 -17 -11 29 o 110.725 5.8373  1503.64    156.273  1359.96    251.469  1594.03    199.464  104.163 10.076  113.683 7.2692  -9.520050      12.42407 
1 1 1 -17 -11 30 o 48.892  7.1548  299.757    82.368   145.339    142.706  376.900    100.866  36.152  12.893  54.788  7.8084  -18.63556      15.07276 
1 1 1 -17 -11 31 o 68.074  5.9724  571.963    97.653   546.600    169.284  584.612    119.549  65.206  11.097  68.544  7.3004  -3.338623      13.28313 
1 1 1 -17 -11 32 o 124.242 4.0235  1881.88    121.293  1804.82    172.548  1957.16    170.538  121.341 5.8605  126.423 5.5594  -5.082260      8.077937 
1 1 1 -17 -11 33 o 16.617  6.2713  24.770     34.527   39.615     45.102   3.7551     53.663   19.801  7.2231  17.435  7.3702  2.365147       10.31953 
1 1 1 -17 -11 34 o 52.596  4.0770  339.688    51.624   349.549    71.775   329.120    74.306   53.069  5.6614  51.388  6.0770  1.681377       8.305471 
1 1 1 -17 -11 35 o 44.767  4.7024  248.005    50.316   232.681    72.616   262.157    69.783   42.772  7.2564  45.656  6.4811  -2.884724      9.729343 
1 1 1 -17 -11 36 o 98.934  3.8153  1195.57    91.589   1136.60    129.954  1253.76    129.102  95.932  5.6074  100.865 5.2936  -4.933449      7.711306 
1 1 1 -17 -11 37 o 66.086  4.5689  538.084    72.814   530.859    86.554   555.577    134.680  65.413  5.5045  65.911  8.6286  -0.4973602     10.23484 
1 1 1 -17 -11 38 o 33.660  5.3223  142.948    42.023   148.941    58.334   136.481    60.590   33.906  7.3061  32.351  7.8079  1.554337       10.69311 
1 1 1 -17 -11 39 o 18.663  6.4081  39.958     35.038   61.598     45.413   8.1308     55.075   22.441  7.2880  17.851  7.5018  4.590422       10.45903 
1 1 1 -17 -11 40 o 39.235  4.7187  192.255    44.022   194.428    60.154   189.749    64.595   38.953  6.6001  38.288  7.2178  0.6651421      9.780437 
1 1 1 -17 -11 41 o 35.452  6.3550  161.475    52.658   160.781    62.944   163.094    96.120   35.017  7.6243  34.884  10.498  0.1334839      12.97448 
1 1 1 -17 -11 42 o 28.878  6.9730  109.169    48.307   111.737    57.221   102.798    90.125   29.121  7.8984  29.093  10.259  0.2797890E-01  12.94758 
1 1 1 -17 -11 43 o 52.130  4.1848  336.711    52.487   366.265    71.551   302.282    77.228   53.976  5.5420  48.571  6.7341  5.404545       8.721327 
1 1 1 -17 -11 44 o 33.221  6.3629  142.934    49.422   85.456     70.132   199.638    69.658   26.365  9.0653  38.967  7.6403  -12.60226      11.85555 
1 1 1 -17 -11 45 o 54.195  5.0665  367.753    65.850   384.385    93.631   351.474    92.629   54.565  7.2516  52.008  7.5618  2.557800       10.47697 
1 1 1 -17 -11 46 o 14.840  6.5747  -12.4443   46.951   17.730     63.435   -48.9979   69.820   19.537  8.1186  16.271  7.5216  3.266674       11.06733 
1 1 1 -17 -11 47 o 47.150  9.3042  301.495    102.665  405.152    213.154  270.185    117.149  50.649  15.710  43.740  11.038  6.909710       19.19994 
1 1 1 -17 -11 48 o 102.198 6.7406  1335.04    166.210  1551.41    311.930  1249.25    196.417  104.003 12.619  97.511  8.3831  6.491814       15.14997 
1 1 1 -17 -11 49 o 20.927  7.7223  47.818     51.768   9.7544     72.555   87.288     73.884   19.898  8.4962  26.424  9.2921  -6.525900      12.59084 
1 1 1 -17 -11 50 o 40.513  6.3454  213.598    60.328   280.668    83.482   140.287    87.279   45.850  7.7821  31.777  10.081  14.07354       12.73569 
1 1 1 -17 -11 51 o 33.955  6.9826  153.946    55.607   115.208    75.928   198.760    81.666   29.035  9.4233  37.718  9.0410  -8.683008      13.05906 
1 1 1 -17 -11 52 o 21.291  7.5960  54.269     49.542   104.675    66.337   -9.3011    74.498   27.675  8.7901  18.704  8.2846  8.970518       12.07893 
1 1 1 -17 -11 53 o 41.589  6.2438  226.995    61.062   269.525    81.338   172.072    92.431   44.505  7.8175  34.263  10.291  10.24198       12.92340 
1 1 1 -17 -11 54 o 65.104  4.9373  538.594    77.413   487.008    102.507  607.068    118.099  60.449  7.1257  67.373  7.3432  -6.924755      10.23221 
1 1 1 -17 -11 55 o 36.611  6.2978  178.097    53.928   215.479    64.330   89.724     98.912   40.042  6.8685  26.979  10.503  13.06249       12.54911 
1 1 1 -17 -11 56 o 13.875  6.2149  -13.1267   43.155   -13.1267   43.155   0.0000     0.0000   13.875  6.2149  ?       ?       0.000000       6.214921 
1 1 1 -17 -11 57 o 28.813  7.6826  115.603    54.693   101.041    59.075   202.982    144.714  26.916  8.2576  35.518  12.941  -8.601803      15.35124 
1 1 1 -17 -11 58 f 50.578  8.8408  360.510    104.546  301.960    121.148  531.305    206.914  44.259  11.255  54.475  15.120  -10.21542      18.84911 
1 1 1 -17 -11 59 f 35.092  6.6173  165.564    54.278   90.699     66.413   316.163    94.194   25.824  8.8234  47.529  8.4788  -21.70430      12.23691 
1 1 1 -17 -11 60 o 38.516  11.203  232.369    110.990  528.800    350.541  199.340    117.010  45.454  19.003  35.456  11.707  9.997738       22.31959 
1 1 1 -17 -11 61 o 49.180  10.270  364.793    118.603  180.114    390.230  383.589    124.493  35.718  16.913  50.185  10.558  -14.46658      19.93806 
1 1 1 -17 -10 1  o 110.236 5.0982  1482.19    136.365  1323.16    203.894  1610.89    183.426  103.410 8.1931  114.526 6.6291  -11.11614      10.53907 
1 1 1 -17 -10 2  o 156.758 4.7641  2994.78    181.208  2658.11    328.132  3142.51    217.359  146.483 9.2800  160.443 5.5833  -13.95950      10.83011 
1 1 1 -17 -10 3  o 163.244 4.3699  3245.10    173.089  2910.53    258.807  3515.85    232.819  154.169 6.9186  169.705 5.6540  -15.53659      8.935035 
1 1 1 -17 -10 4  o 115.563 3.7672  1624.63    105.634  1645.68    161.651  1608.94    139.551  116.102 5.7382  114.884 5.0062  1.217377       7.615057 
1 1 1 -17 -10 5  o 161.124 4.3260  3160.73    169.126  3001.06    251.192  3293.14    228.742  156.633 6.6094  164.244 5.7398  -7.610870      8.753769 
1 1 1 -17 -10 6  o 307.418 7.6977  11592.42   574.185  11801.55   713.316  11207.51   967.717  309.291 9.5050  299.010 13.338  10.28082       16.37844 
1 1 1 -17 -10 7  o 235.443 7.9036  6802.96    451.517  6371.23    668.968  7164.20    611.922  225.740 12.259  240.572 10.483  -14.83235      16.13021 
1 1 1 -17 -10 8  o 121.411 8.8362  1823.13    258.521  1823.13    258.521  0.0000     0.0000   121.411 8.8362  ?       ?       0.000000       8.836159 
1 1 1 -17 -10 9  o 222.373 5.2543  6029.50    283.504  6029.50    283.504  0.0000     0.0000   222.373 5.2543  ?       ?       0.000000       5.254288 
1 1 1 -17 -10 10 o 98.865  5.2732  1195.15    126.040  1195.15    126.040  0.0000     0.0000   98.865  5.2732  ?       ?       0.000000       5.273217 
1 1 1 -17 -10 11 o 68.487  3.7010  572.124    61.274   556.520    85.275   588.781    88.104   67.358  5.2593  69.291  5.2800  -1.932800      7.452426 
1 1 1 -17 -10 12 o 102.410 3.6636  1275.48    91.036   1373.89    133.346  1189.56    124.587  106.160 5.1768  98.641  5.2240  7.518227       7.354491 
1 1 1 -17 -10 13 o 113.465 3.7794  1565.95    104.053  1687.94    152.538  1459.79    142.300  117.651 5.3434  109.409 5.3603  8.241631       7.568681 
1 1 1 -17 -10 14 o 117.040 3.8788  1666.41    110.152  1832.78    161.744  1522.51    150.427  122.583 5.4379  111.714 5.5495  10.86938       7.769695 
1 1 1 -17 -10 15 o 106.836 3.7984  1388.35    98.464   1532.74    144.902  1264.48    134.209  112.113 5.3266  101.673 5.4602  10.43974       7.628002 
1 1 1 -17 -10 16 o 73.246  3.9702  654.639    70.297   813.205    106.595  532.602    93.515   81.477  5.4228  65.787  5.9218  15.68987       8.029607 
1 1 1 -17 -10 17 o 120.935 3.9953  1779.50    117.236  1819.50    170.399  1743.55    161.548  122.098 5.7517  119.544 5.5694  2.553337       8.006271 
1 1 1 -17 -10 18 o 77.605  3.7388  732.528    70.403   630.650    107.146  809.933    93.394   71.580  6.2312  81.402  4.7491  -9.822227      7.834682 
1 1 1 -17 -10 19 o 125.066 3.9283  1903.02    119.210  2259.58    173.602  1584.87    163.984  136.128 5.2558  113.772 5.9610  22.35590       7.947125 
1 1 1 -17 -10 20 o 259.584 8.3437  8280.34    525.537  9007.30    727.353  7486.30    760.176  269.410 11.127  244.387 12.865  25.02226       17.00905 
1 1 1 -17 -10 21 o 291.705 13.107  10654.71   927.734  0.0000     0.0000   10654.71   927.734  ?       ?       291.705 13.107  0.000000       13.10736 
1 1 1 -17 -10 22 o 150.117 8.8026  2783.10    319.228  0.0000     0.0000   2783.10    319.228  ?       ?       150.117 8.8026  0.000000       8.802583 
1 1 1 -17 -10 23 o 106.638 4.5176  1385.03    116.892  1482.27    229.173  1350.84    135.900  109.411 8.7045  105.098 5.3468  4.312660       10.21555 
1 1 1 -17 -10 24 o 168.308 4.5694  3450.75    186.606  3761.35    267.525  3156.44    260.420  175.402 6.2859  160.599 6.6829  14.80249       9.174636 
1 1 1 -17 -10 25 o 149.771 4.1611  2730.83    151.218  2665.25    215.323  2794.64    212.416  147.685 6.0088  151.267 5.7873  -3.581619      8.342603 
1 1 1 -17 -10 26 o 113.646 3.8772  1571.76    106.913  1488.92    151.432  1654.09    150.965  110.272 5.6789  116.422 5.3441  -6.150658      7.798063 
1 1 1 -17 -10 27 o 90.049  3.7757  986.771    82.498   900.108    116.528  1073.85    116.811  85.662  5.6378  93.675  5.1591  -8.013054      7.642038 
1 1 1 -17 -10 28 o 45.902  7.1314  264.426    76.850   175.366    136.984  305.331    92.836   38.151  12.671  49.199  8.0556  -11.04758      15.01460 
1 1 1 -17 -10 29 o 84.654  5.7835  880.273    118.087  893.587    195.222  872.590    148.291  84.369  9.7137  83.965  7.3528  0.4041595      12.18276 
1 1 1 -17 -10 30 f 152.617 6.3239  2854.28    234.181  2726.43    364.662  2944.02    305.500  147.643 10.243  154.271 8.1907  -6.627930      13.11476 
1 1 1 -17 -10 31 o 173.107 4.5668  3656.13    191.819  3660.02    273.418  3652.36    269.178  172.692 6.5252  172.540 6.4296  0.1519165      9.160674 
1 1 1 -17 -10 32 o 85.473  3.8168  890.189    79.157   822.316    111.117  960.122    112.792  81.753  5.6360  88.439  5.2803  -6.685692      7.723109 
1 1 1 -17 -10 33 o 35.289  5.1134  155.479    42.508   148.597    56.650   164.348    64.307   34.106  7.0774  35.805  7.6351  -1.699894      10.41079 
1 1 1 -17 -10 34 o 67.099  3.8609  551.036    62.593   440.723    86.813   670.474    90.332   59.564  6.0925  73.817  5.0742  -14.25357      7.928782 
1 1 1 -17 -10 35 o 52.106  4.0861  333.678    51.248   301.490    70.571   369.591    74.542   49.125  6.0483  54.538  5.7181  -5.412949      8.323321 
1 1 1 -17 -10 36 f 55.312  4.8431  378.000    64.344   339.536    76.209   473.501    120.081  52.103  6.1463  60.985  8.3331  -8.881390      10.35457 
1 1 1 -17 -10 37 o 51.093  4.1504  321.600    51.008   375.437    70.639   262.943    73.733   54.968  5.3646  45.521  6.8911  9.447166       8.733103 
1 1 1 -17 -10 38 o 19.708  6.4056  46.848     35.080   63.568     45.455   22.223     55.164   22.740  7.2819  19.106  7.7110  3.634705       10.60592 
1 1 1 -17 -10 39 o 47.066  4.3180  274.159    48.763   206.114    67.133   350.156    70.947   40.011  7.1788  52.914  5.6115  -12.90277      9.111752 
1 1 1 -17 -10 40 o 24.099  6.3287  75.048     37.481   59.932     49.918   94.586     56.750   22.486  7.6497  27.072  8.0483  -4.585903      11.10376 
1 1 1 -17 -10 41 o 40.756  5.9445  210.874    57.056   172.722    68.364   298.439    103.571  36.215  7.9938  47.355  9.3456  -11.13985      12.29803 
1 1 1 -17 -10 42 o 68.678  5.0866  587.254    84.161   550.049    103.822  658.559    143.729  65.891  6.5819  71.209  8.4856  -5.318695      10.73902 
1 1 1 -17 -10 43 o 34.623  5.8581  153.460    47.459   140.526    61.322   172.777    74.941   32.568  7.8518  35.919  8.6924  -3.351738      11.71362 
1 1 1 -17 -10 44 o 24.504  7.8836  75.925     53.230   71.291     74.851   80.667     75.712   25.282  9.2926  26.209  9.3860  -0.9272385     13.20797 
1 1 1 -17 -10 45 o 47.490  5.3744  284.192    60.839   395.700    84.254   162.703    87.944   55.764  6.3396  34.555  9.9496  21.20845       11.79766 
1 1 1 -17 -10 46 o 50.081  5.2550  315.552    62.905   399.874    87.842   226.791    90.125   55.903  6.6035  40.846  9.3017  15.05704       11.40735 
1 1 1 -17 -10 47 o 31.284  10.669  128.691    97.093   106.736    196.831  135.751    111.618  34.175  14.259  32.291  11.414  1.884148       18.26499 
1 1 1 -17 -10 48 o 58.450  8.2734  452.300    114.059  268.504    242.697  504.402    129.218  42.451  16.472  61.364  8.9413  -18.91256      18.74225 
1 1 1 -17 -10 49 o 24.411  7.8487  77.059     52.766   137.126    71.655   5.8973     77.992   31.630  8.9398  20.259  8.7325  11.37087       12.49706 
1 1 1 -17 -10 50 o 23.002  7.9914  65.166     54.568   -4.7531    74.827   144.590    79.750   19.156  8.4004  32.213  9.5326  -13.05793      12.70582 
1 1 1 -17 -10 51 o 23.596  7.7918  71.922     51.829   86.964     68.253   51.434     79.655   25.921  8.9413  23.429  9.3312  2.492094       12.92356 
1 1 1 -17 -10 52 o 19.233  7.4887  34.937     50.298   47.028     65.602   17.691     78.347   21.814  8.5361  20.794  8.8524  1.020321       12.29762 
1 1 1 -17 -10 53 o 14.343  6.5022  -21.1774   48.877   -33.7802   61.086   1.2483     81.485   15.487  7.1142  20.012  8.7714  -4.525503      11.29377 
1 1 1 -17 -10 54 o 33.945  7.2718  157.277    58.090   127.043    79.847   191.273    84.669   29.823  9.6619  36.286  9.5036  -6.462351      13.55257 
1 1 1 -17 -10 55 o 79.257  6.6314  826.850    126.358  826.850    126.358  0.0000     0.0000   79.257  6.6314  ?       ?       0.000000       6.631425 
1 1 1 -17 -10 56 o 40.453  7.7373  225.404    73.177   228.383    84.786   216.702    144.889  39.943  8.9678  36.492  12.993  3.451744       15.78749 
1 1 1 -17 -10 57 o 23.391  7.7180  72.766     50.856   49.887     62.084   119.430    88.665   21.560  8.3407  29.051  10.181  -7.491400      13.16154 
1 1 1 -17 -10 58 o 24.068  7.3741  78.482     47.128   69.731     56.639   98.175     84.965   23.260  8.1382  27.122  9.9108  -3.861820      12.82400 
1 1 1 -17 -10 59 o 32.511  11.449  159.588    112.201  321.330    370.916  143.297    117.716  39.975  18.036  31.319  11.627  8.656231       21.45932 
1 1 1 -17 -10 60 o 16.166  7.7807  -105.6040  90.052   641.223    334.474  -163.9705  93.505   50.083  19.364  14.924  7.3442  35.15917       20.70988 
1 1 1 -17 -10 61 o 34.817  11.710  196.575    116.953  596.255    389.308  156.927    122.616  44.735  19.396  31.760  11.852  12.97514       22.73010 
1 1 1 -17 -9  1  o 59.994  4.5986  441.028    66.432   437.544    99.957   443.785    88.910   59.354  7.0804  59.941  6.2028  -0.5872650     9.413136 
1 1 1 -17 -9  2  o 107.474 3.6911  1404.99    96.255   1226.32    146.731  1539.96    127.531  100.004 6.0758  112.429 4.6749  -12.42449      7.666133 
1 1 1 -17 -9  3  o 72.376  3.5363  637.019    62.103   566.468    95.555   688.613    81.715   67.864  5.8604  75.062  4.5075  -7.197556      7.393392 
1 1 1 -17 -9  4  o 191.246 4.8191  4456.44    223.627  3827.31    329.737  4992.26    304.305  176.646 7.6931  202.131 6.2046  -25.48502      9.883301 
1 1 1 -17 -9  5  o 88.357  3.7065  949.539    79.465   787.068    122.521  1067.51    104.401  80.001  6.3644  93.622  4.5958  -13.62132      7.850289 
1 1 1 -17 -9  6  o 344.124 10.894  14676.95   909.640  12642.39   1317.84  16528.45   1257.16  313.913 17.369  362.432 14.295  -48.51938      22.49557 
1 1 1 -17 -9  7  o 119.309 9.0505  1762.05    260.051  1762.05    260.051  0.0000     0.0000   119.309 9.0505  ?       ?       0.000000       9.050459 
1 1 1 -17 -9  8  o 120.466 8.8883  1794.82    257.969  1794.82    257.969  0.0000     0.0000   120.466 8.8883  ?       ?       0.000000       8.888307 
1 1 1 -17 -9  9  o 114.810 5.3290  1607.28    148.455  1607.28    148.455  0.0000     0.0000   114.810 5.3290  ?       ?       0.000000       5.329048 
1 1 1 -17 -9  10 o 6.0373  3.0391  -63.9365   20.326   -60.3123   23.025   -76.7328   43.266   6.8840  3.4315  10.723  5.2162  -3.838555      6.243701 
1 1 1 -17 -9  11 o 42.857  3.7957  225.145    39.063   283.717    57.220   174.021    53.458   47.998  4.9859  37.271  6.1239  10.72665       7.896955 
1 1 1 -17 -9  12 o 157.068 4.2457  3002.61    161.810  3114.27    233.680  2899.75    224.278  159.704 6.0304  154.110 5.9978  5.593231       8.505211 
1 1 1 -17 -9  13 o 63.335  3.8720  489.757    59.218   551.060    94.226   449.738    76.132   66.941  5.8602  60.515  5.2365  6.425549       7.858948 
1 1 1 -17 -9  14 o 157.331 4.2910  3012.86    163.810  3304.35    236.754  2745.16    226.885  164.523 5.9307  149.907 6.2376  14.61531       8.607073 
1 1 1 -17 -9  15 o 29.931  6.1237  113.365    42.975   154.015    73.287   92.061     53.054   34.726  8.7123  27.070  7.7069  7.656286       11.63188 
1 1 1 -17 -9  16 o ?       ?       -114.9515  25.219   -188.6718  53.314   -93.7015   28.624   9.3168  4.7156  7.0501  3.5561  2.266695       5.906148 
1 1 1 -17 -9  17 o 120.370 3.8908  1762.56    113.636  1846.22    164.745  1686.64    156.950  123.026 5.5189  117.591 5.5008  5.435127       7.792104 
1 1 1 -17 -9  18 o 139.079 4.1995  2354.14    141.718  2753.63    204.967  1988.22    196.163  150.230 5.6229  127.558 6.3379  22.67271       8.472683 
1 1 1 -17 -9  19 o 136.026 4.0883  2251.56    134.936  2429.42    195.512  2089.77    186.467  141.094 5.7108  130.838 5.8736  10.25641       8.192236 
1 1 1 -17 -9  20 o 233.928 11.162  6789.29    633.534  0.0000     0.0000   6789.29    633.534  ?       ?       233.928 11.162  0.000000       11.16153 
1 1 1 -17 -9  21 o 78.186  8.1914  758.648    153.092  0.0000     0.0000   758.648    153.092  ?       ?       78.186  8.1914  0.000000       8.191370 
1 1 1 -17 -9  22 o 179.739 9.5971  3997.22    417.038  0.0000     0.0000   3997.22    417.038  ?       ?       179.739 9.5971  0.000000       9.597138 
1 1 1 -17 -9  23 o 65.486  4.0872  523.919    64.619   649.240    97.440   425.539    86.334   72.732  5.5636  58.701  6.1528  14.03135       8.295232 
1 1 1 -17 -9  24 o 107.856 3.8312  1415.30    100.265  1468.69    142.641  1363.17    140.964  109.724 5.3577  105.549 5.5234  4.175201       7.694968 
1 1 1 -17 -9  25 o 54.559  4.0480  364.277    53.207   368.392    73.991   359.870    76.567   54.645  5.6626  53.956  5.9473  0.6891708      8.211905 
1 1 1 -17 -9  26 o 175.194 4.5486  3739.34    193.357  3650.72    274.910  3826.11    272.009  172.715 6.5599  176.867 6.3383  -4.151215      9.121730 
1 1 1 -17 -9  27 o 136.760 4.1000  2277.14    136.051  2204.95    193.244  2348.09    191.578  134.316 5.9295  138.647 5.6947  -4.330917      8.221199 
1 1 1 -17 -9  28 o 66.728  5.9773  548.714    95.753   440.050    163.928  604.991    117.970  58.315  11.986  69.890  7.0530  -11.57592      13.90719 
1 1 1 -17 -9  29 o 132.042 6.0230  2133.16    192.969  1958.58    303.885  2251.12    249.796  125.203 10.089  135.089 7.6522  -9.885971      12.66238 
1 1 1 -17 -9  30 o 105.244 5.7863  1359.00    147.195  1161.81    239.901  1478.05    186.408  96.035  10.465  109.480 7.0548  -13.44521      12.62061 
1 1 1 -17 -9  31 o 188.761 4.7857  4349.51    219.189  4214.43    311.806  4481.47    308.185  185.180 6.9395  191.058 6.6479  -5.877777      9.609908 
1 1 1 -17 -9  32 o 65.564  3.9920  525.900    63.204   510.257    87.212   543.206    91.728   64.308  5.6463  66.346  5.7550  -2.037285      8.062328 
1 1 1 -17 -9  33 o 83.982  3.7851  859.749    77.131   850.578    108.779  869.023    109.384  83.154  5.4210  84.061  5.3913  -0.9068069     7.645453 
1 1 1 -17 -9  34 o 28.415  6.2323  103.149    41.787   62.871     57.623   147.824    60.687   23.629  8.2119  33.903  7.5688  -10.27360      11.16791 
1 1 1 -17 -9  35 o 28.071  6.2969  100.920    41.833   80.510     57.021   124.708    61.559   25.597  8.1516  31.068  8.0874  -5.470793      11.48285 
1 1 1 -17 -9  36 o 20.315  6.9778  47.070     41.546   30.243     49.396   87.759     76.809   19.200  7.4364  27.440  9.4841  -8.240145      12.05187 
1 1 1 -17 -9  37 o 35.098  5.7361  155.761    47.162   185.548    61.461   113.107    73.548   38.086  6.9050  29.817  9.2248  8.268908       11.52283 
1 1 1 -17 -9  38 o 44.565  4.6743  246.585    49.792   229.447    66.374   268.642    75.300   42.472  6.6597  45.934  6.9755  -3.462086      9.644109 
1 1 1 -17 -9  39 o 66.035  4.2016  537.136    66.972   532.345    92.611   542.388    96.964   65.261  5.9127  65.802  6.1441  -0.5413055     8.527035 
1 1 1 -17 -9  40 f 15.119  6.3673  4.6795     39.813   7.7025     46.049   -4.2699    79.231   16.425  6.8789  20.163  8.7459  -3.737175      11.12701 
1 1 1 -17 -9  41 o 40.856  6.2440  212.839    59.934   237.729    72.613   159.642    106.159  42.899  7.2331  34.685  11.131  8.214436       13.27440 
1 1 1 -17 -9  42 o 21.725  7.1429  57.768     43.573   28.115     51.992   127.750    79.872   19.125  7.5634  31.129  9.6103  -12.00421      12.22957 
1 1 1 -17 -9  43 f 12.876  5.7173  -11.3231   35.698   -20.6500   43.236   8.6538     63.276   13.623  6.1511  18.895  7.9960  -5.271873      10.08819 
1 1 1 -17 -9  44 f 38.414  6.5055  190.291    58.473   219.073    79.388   156.163    86.447   40.612  8.3356  33.959  9.8897  6.653374       12.93403 
1 1 1 -17 -9  45 o 18.546  7.3560  26.198     49.314   16.128     67.664   37.606     72.021   19.956  8.3464  22.104  8.8496  -2.148354      12.16457 
1 1 1 -17 -9  46 o 89.996  6.8310  1032.25    148.052  1002.20    282.962  1043.58    173.731  82.035  14.758  89.651  8.0731  -7.616295      16.82204 
1 1 1 -17 -9  47 o 15.789  7.5994  -116.1214  85.914   148.392    195.774  -179.2123  95.612   36.026  14.531  15.211  7.4739  20.81421       16.34056 
1 1 1 -17 -9  48 o 52.579  8.8493  371.828    108.888  169.383    237.933  425.459    122.465  37.967  15.746  56.022  9.3379  -18.05473      18.30642 
1 1 1 -17 -9  49 o 41.873  6.0576  226.058    59.757   228.200    82.401   223.681    86.788   40.964  8.5658  40.297  9.0923  0.6673317      12.49174 
1 1 1 -17 -9  50 o 47.765  5.5216  291.199    62.814   311.278    84.865   266.870    93.416   48.475  7.4539  43.966  9.0581  4.509392       11.73073 
1 1 1 -17 -9  51 o 35.236  6.6715  164.506    54.951   198.764    76.860   128.687    78.592   37.918  8.5571  30.402  9.5573  7.515755       12.82839 
1 1 1 -17 -9  52 o 26.545  7.3711  95.627     49.165   -18.2975   69.954   206.827    69.113   17.605  7.8973  39.086  7.5609  -21.48067      10.93320 
1 1 1 -17 -9  53 o 31.227  7.3932  133.441    55.150   135.540    73.501   130.735    83.428   30.883  9.1544  30.308  9.8797  0.5740433      13.46892 
1 1 1 -17 -9  54 o 29.712  8.5826  124.631    65.344   100.151    80.257   172.771    112.547  27.231  9.6730  33.782  11.486  -6.550488      15.01683 
1 1 1 -17 -9  55 o 79.620  7.2807  847.179    139.099  847.179    139.099  0.0000     0.0000   79.620  7.2807  ?       ?       0.000000       7.280682 
1 1 1 -17 -9  56 o 49.578  7.0639  329.662    82.574   355.469    98.883   270.202    150.094  50.611  8.3429  40.189  13.259  10.42208       15.66544 
1 1 1 -17 -9  57 o 28.013  7.8675  109.223    55.679   121.462    77.350   96.061     80.211   29.192  9.5129  26.793  9.6539  2.399382       13.55334 
1 1 1 -17 -9  58 o 25.925  7.8648  92.523     53.789   119.885    70.955   55.552     82.477   29.049  9.0729  23.558  9.4564  5.491106       13.10501 
1 1 1 -17 -9  59 f 14.329  7.0570  -158.5411  86.915   -354.7280  353.488  -145.9173  89.667   28.048  13.890  14.986  7.3374  13.06192       15.70910 
1 1 1 -17 -9  60 o 21.386  9.3693  11.422     92.880   12.556     371.560  11.346     95.926   33.162  15.922  21.646  9.5014  11.51626       18.54109 
1 1 1 -17 -8  1  o 132.252 5.4499  2133.92    174.885  1808.53    255.920  2418.99    239.541  120.908 8.7834  140.549 7.0241  -19.64089      11.24655 
1 1 1 -17 -8  2  o 145.404 4.0809  2572.94    143.978  2548.40    214.929  2592.91    193.919  144.428 6.1331  145.786 5.4820  -1.357635      8.226000 
1 1 1 -17 -8  3  o 265.316 6.0012  8596.38    386.334  7852.98    559.737  9272.73    533.897  252.496 9.1362  274.854 8.0056  -22.35788      12.14738 
1 1 1 -17 -8  4  o 239.352 5.3708  6986.65    311.920  6661.19    446.606  7296.59    435.835  233.008 7.8993  244.048 7.3601  -11.03967      10.79675 
1 1 1 -17 -8  5  o 251.378 5.5188  7708.17    336.617  7369.73    481.548  8031.57    470.732  245.031 8.0994  255.982 7.5788  -10.95120      11.09229 
1 1 1 -17 -8  6  o 219.737 7.5998  5918.07    405.200  5358.27    605.118  6373.12    545.576  207.156 12.091  227.227 9.8953  -20.07124      15.62418 
1 1 1 -17 -8  7  o 76.973  9.1259  739.108    167.124  739.108    167.124  0.0000     0.0000   76.973  9.1259  ?       ?       0.000000       9.125910 
1 1 1 -17 -8  8  o 31.108  10.972  105.779    103.081  105.779    103.081  0.0000     0.0000   31.108  10.972  ?       ?       0.000000       10.97191 
1 1 1 -17 -8  9  f 162.453 4.2340  3211.85    166.896  2998.74    237.973  3418.13    234.128  156.680 6.2596  167.365 5.7653  -10.68460      8.510112 
1 1 1 -17 -8  10 o 223.560 5.2033  6092.22    282.252  5514.33    401.554  6656.56    396.817  212.068 7.8038  233.236 7.0118  -21.16794      10.49114 
1 1 1 -17 -8  11 o 158.096 4.2313  3041.80    162.314  3114.07    232.157  2972.70    227.023  159.712 5.9907  156.044 5.9960  3.668213       8.475874 
1 1 1 -17 -8  12 o 146.975 4.2256  2628.88    150.695  2816.25    216.522  2452.85    209.863  151.902 5.8746  141.730 6.1026  10.17241       8.470642 
1 1 1 -17 -8  13 o 148.539 4.2861  2685.40    154.477  2951.83    221.732  2434.11    215.336  155.515 5.8761  141.159 6.2870  14.35608       8.605551 
1 1 1 -17 -8  14 o 170.391 4.4774  3534.64    185.114  3943.33    265.641  3148.82    258.104  179.705 6.0922  160.489 6.6280  19.21581       9.002518 
1 1 1 -17 -8  15 o 226.732 5.3521  6268.03    294.444  6903.45    420.094  5654.44    412.816  237.440 7.2917  214.711 7.9239  22.72934       10.76834 
1 1 1 -17 -8  16 f 156.183 4.2613  2968.80    161.486  3225.08    231.693  2726.69    225.198  162.552 5.8743  149.412 6.2118  13.13992       8.549459 
1 1 1 -17 -8  17 o 11.749  5.3421  -20.6961   33.306   -76.0064   62.328   1.4096     39.403   14.192  6.7316  14.898  6.3075  -0.7054682     9.224911 
1 1 1 -17 -8  18 o 67.158  3.9309  550.537    63.776   502.054    97.358   586.981    84.408   63.789  6.3755  69.219  5.0608  -5.429245      8.139933 
1 1 1 -17 -8  19 o 204.045 6.9824  5094.91    345.695  0.0000     0.0000   5094.91    345.695  ?       ?       204.045 6.9824  0.000000       6.982378 
1 1 1 -17 -8  20 o 247.827 11.661  7632.89    701.231  0.0000     0.0000   7632.89    701.231  ?       ?       247.827 11.661  0.000000       11.66136 
1 1 1 -17 -8  21 f 221.966 10.825  6104.11    583.034  0.0000     0.0000   6104.11    583.034  ?       ?       221.966 10.825  0.000000       10.82537 
1 1 1 -17 -8  22 o 282.311 9.0564  9814.53    620.362  10999.94   858.464  8518.92    897.484  297.278 11.901  259.819 14.291  37.45901       18.59777 
1 1 1 -17 -8  23 o 127.704 3.9028  1984.14    120.934  1919.63    171.979  2047.25    170.090  125.416 5.6514  129.550 5.4110  -4.133514      7.824152 
1 1 1 -17 -8  24 o 133.184 4.0545  2158.70    131.023  2243.56    186.394  2075.81    184.216  135.576 5.6661  130.387 5.8228  5.189117       8.124615 
1 1 1 -17 -8  25 o 143.717 4.1244  2514.13    143.825  2547.28    204.863  2481.91    201.967  144.421 5.8461  142.557 5.8388  1.864044       8.262516 
1 1 1 -17 -8  26 o 162.187 4.4030  3203.71    173.273  3249.45    247.651  3159.86    242.520  163.018 6.2610  160.763 6.2172  2.254272       8.823470 
1 1 1 -17 -8  27 o 130.667 4.2446  2079.19    134.577  2224.82    191.820  1938.03    188.856  134.937 5.8587  125.889 6.1827  9.047791       8.517628 
1 1 1 -17 -8  28 o 112.826 6.2321  1562.13    169.949  1501.97    284.482  1595.52    211.922  109.366 10.864  113.685 7.7285  -4.319382      13.33259 
1 1 1 -17 -8  29 o 89.452  6.6222  985.827    142.711  652.544    244.219  1158.65    175.861  70.400  14.768  96.807  7.5465  -26.40610      16.58461 
1 1 1 -17 -8  30 o 150.035 6.4700  2759.39    235.539  2795.20    376.606  2736.39    301.862  149.437 10.452  148.660 8.4030  0.7778778      13.41115 
1 1 1 -17 -8  31 o 199.507 4.9440  4860.79    239.333  4991.01    341.714  4735.40    335.314  201.503 6.9890  196.256 7.0415  5.246841       9.921142 
1 1 1 -17 -8  32 o 202.785 4.9941  5026.05    245.730  4842.82    350.281  5203.59    344.814  198.231 7.2825  205.642 6.9105  -7.410660      10.03942 
1 1 1 -17 -8  33 o 141.158 4.2682  2432.14    146.189  2316.65    208.064  2544.74    205.447  137.291 6.2458  143.997 5.8801  -6.705734      8.578194 
1 1 1 -17 -8  34 o 23.540  6.9054  69.662     42.010   81.101     53.367   51.024     68.122   25.533  7.8510  23.358  8.8104  2.174973       11.80094 
1 1 1 -17 -8  35 o 45.412  4.8684  255.500    52.807   249.364    70.043   263.581    80.380   44.449  6.7027  45.505  7.5441  -1.056206      10.09154 
1 1 1 -17 -8  36 o 41.342  5.1592  213.096    50.626   194.958    67.377   236.615    76.723   38.983  7.3937  42.979  7.6369  -3.996357      10.62961 
1 1 1 -17 -8  37 o 33.199  5.9962  140.227    46.524   89.981     61.049   209.835    71.855   26.799  8.4232  40.362  7.6163  -13.56308      11.35596 
1 1 1 -17 -8  38 o 53.593  4.4566  354.898    57.428   352.532    76.964   357.869    86.260   53.001  6.0957  53.180  6.8437  -0.1794434     9.164836 
1 1 1 -17 -8  39 o 60.513  4.3262  451.873    63.102   453.397    86.529   450.143    92.221   60.151  6.0091  59.786  6.4599  0.3648643      8.822675 
1 1 1 -17 -8  40 f 13.230  5.9936  -21.9426   41.445   -25.2666   48.686   -13.1940   78.983   14.339  6.4960  19.592  8.6101  -5.252727      10.78572 
1 1 1 -17 -8  41 o 23.047  7.4294  65.993     47.255   43.359     57.793   111.654    82.085   21.300  8.0955  29.638  9.8067  -8.338505      12.71640 
1 1 1 -17 -8  42 o 59.537  5.3524  443.402    76.495   402.189    93.960   524.409    131.729  56.056  7.0649  63.273  8.8201  -7.216286      11.30080 
1 1 1 -17 -8  43 o 28.085  7.9328  103.795    56.439   69.074     78.772   140.421    80.904   25.400  9.4953  32.386  9.6054  -6.986393      13.50646 
1 1 1 -17 -8  44 o 62.606  4.7604  487.728    71.772   497.298    99.723   477.444    103.378  62.481  6.6814  61.015  7.1165  1.465267       9.761441 
1 1 1 -17 -8  45 o 67.085  4.7264  559.897    76.442   515.346    104.886  610.369    111.640  63.452  6.9250  69.201  6.7341  -5.749615      9.659371 
1 1 1 -17 -8  46 o 41.443  10.483  238.964    105.487  318.826    221.258  215.472    120.003  45.639  16.077  39.045  11.725  6.594078       19.89861 
1 1 1 -17 -8  47 o 67.730  7.5904  595.930    122.596  515.517    252.391  620.761    140.253  55.821  17.059  68.504  8.6294  -12.68293      19.11717 
1 1 1 -17 -8  48 o 38.537  6.4360  192.905    58.058   235.819    83.511   152.760    80.772   41.784  8.5257  33.294  9.5200  8.489441       12.77957 
1 1 1 -17 -8  49 o 49.589  4.9706  310.160    59.003   219.545    85.465   392.679    81.558   39.914  9.0352  55.312  6.1826  -15.39849      10.94802 
1 1 1 -17 -8  50 o 43.481  5.4858  241.838    56.588   190.024    80.139   293.365    79.917   36.955  9.0171  47.134  7.2177  -10.17891      11.55001 
1 1 1 -17 -8  51 o 17.971  7.1059  27.120     45.887   14.511     65.452   39.309     64.349   19.226  8.1340  21.084  8.3901  -1.858282      11.68571 
1 1 1 -17 -8  52 o 41.638  5.5810  223.808    54.966   244.935    79.552   204.507    76.036   42.326  8.0400  38.402  8.3943  3.923836       11.62351 
1 1 1 -17 -8  53 o 28.469  8.2569  112.755    60.368   164.602    74.360   12.522     103.390  34.022  8.9041  22.674  9.9105  11.34864       13.32300 
1 1 1 -17 -8  54 o 22.095  7.7184  61.652     50.937   165.688    68.475   -67.2382   76.216   34.334  8.3090  15.953  7.5298  18.38146       11.21328 
1 1 1 -17 -8  55 o 41.635  7.6206  237.216    74.149   250.176    86.812   202.256    142.580  42.030  8.7949  35.646  12.867  6.384365       15.58563 
1 1 1 -17 -8  56 o 51.516  6.6227  351.439    80.866   345.075    95.325   367.775    152.727  50.031  8.1317  47.429  12.920  2.601837       15.26633 
1 1 1 -17 -8  57 f 116.479 4.7252  1711.01    133.548  1778.60    194.932  1651.23    183.331  116.062 6.9540  112.048 6.7751  4.014122       9.708757 
1 1 1 -17 -8  58 o 30.691  7.6759  130.780    57.015   67.156     75.103   217.327    87.594   24.009  9.2038  38.700  9.4175  -14.69116      13.16807 
1 1 1 -17 -8  59 o 41.564  10.998  265.984    112.636  107.030    384.170  280.934    117.814  35.495  16.800  42.541  11.244  -7.045391      20.21519 
1 1 1 -17 -8  60 o 43.910  11.187  302.241    119.526  383.003    391.496  293.940    125.519  40.162  18.283  42.747  11.741  -2.584827      21.72819 
1 1 1 -17 -7  1  o 68.797  3.8659  577.599    64.273   486.092    116.187  617.947    77.152   62.474  7.8372  71.096  4.4955  -8.622246      9.034989 
1 1 1 -17 -7  2  o 142.798 4.4738  2482.85    155.010  2653.48    254.746  2382.52    195.334  147.214 7.1317  139.717 5.7619  7.496979       9.168452 
1 1 1 -17 -7  3  o 37.797  5.0519  177.163    45.172   68.474     67.064   267.430    61.116   25.142  8.8518  46.502  5.5247  -21.35928      10.43437 
1 1 1 -17 -7  4  o 110.823 3.6525  1493.55    98.217   1276.16    140.215  1702.97    137.620  102.115 5.6815  118.237 4.7970  -16.12241      7.435769 
1 1 1 -17 -7  5  f 80.341  4.0470  787.321    78.640   733.957    97.376   887.391    133.345  77.423  5.2138  84.964  6.5178  -7.541260      8.346607 
1 1 1 -17 -7  6  o 214.271 11.133  5704.78    576.809  5704.78    576.809  0.0000     0.0000   214.271 11.133  ?       ?       0.000000       11.13275 
1 1 1 -17 -7  7  o 93.193  9.4214  1080.27    210.115  1080.27    210.115  0.0000     0.0000   93.193  9.4214  ?       ?       0.000000       9.421391 
1 1 1 -17 -7  8  o 78.229  3.5191  744.057    66.798   667.460    94.758   819.717    94.177   73.802  5.3273  81.901  4.7596  -8.098709      7.143810 
1 1 1 -17 -7  9  o 143.640 4.1151  2510.47    143.425  2343.30    204.625  2671.92    201.087  138.535 6.0875  148.003 5.5995  -9.467743      8.271134 
1 1 1 -17 -7  10 o 182.223 4.5944  4043.15    203.142  4260.55    290.233  3834.36    284.427  186.738 6.4054  177.110 6.6186  9.628143       9.210602 
1 1 1 -17 -7  11 o 133.645 4.0224  2172.96    130.438  2218.36    187.622  2130.50    181.466  134.840 5.7345  132.153 5.6592  2.687408       8.056746 
1 1 1 -17 -7  12 o 22.657  6.2253  64.642     35.278   36.788     58.056   80.949     44.420   21.086  8.0900  25.341  6.9950  -4.254124      10.69476 
1 1 1 -17 -7  13 o 136.226 4.0592  2257.81    134.172  2456.83    193.554  2073.70    186.158  141.919 5.6208  130.350 5.8858  11.56857       8.138529 
1 1 1 -17 -7  14 o 193.014 4.9033  4538.48    229.635  4865.42    328.471  4225.94    321.157  199.468 6.7867  185.824 7.1228  13.64427       9.838414 
1 1 1 -17 -7  15 o 148.482 4.3828  2683.61    157.901  3118.80    228.097  2283.15    218.805  159.857 5.8806  136.669 6.5981  23.18768       8.838399 
1 1 1 -17 -7  16 o 73.987  3.9139  667.725    70.013   706.940    108.477  639.726    91.661   75.875  5.9396  72.253  5.2646  3.622246       7.936893 
1 1 1 -17 -7  17 o 107.519 3.9859  1406.38    103.986  1574.40    154.606  1267.58    140.517  113.607 5.6086  101.770 5.7135  11.83712       8.006333 
1 1 1 -17 -7  18 o 206.211 6.9101  5201.92    345.750  0.0000     0.0000   5201.92    345.750  ?       ?       206.211 6.9101  0.000000       6.910125 
1 1 1 -17 -7  19 o 82.211  8.2562  837.801    162.467  0.0000     0.0000   837.801    162.467  ?       ?       82.211  8.2562  0.000000       8.256160 
1 1 1 -17 -7  20 o 123.854 8.5036  1893.36    254.001  0.0000     0.0000   1893.36    254.001  ?       ?       123.854 8.5036  0.000000       8.503578 
1 1 1 -17 -7  21 o 31.488  9.7272  122.176    81.812   330.407    127.101  -25.1299   106.902  50.761  10.659  22.839  10.028  27.92271       14.63419 
1 1 1 -17 -7  22 f 144.674 4.6704  2549.35    163.948  2811.98    270.040  2396.03    206.325  151.504 7.3458  140.066 6.0709  11.43820       9.529802 
1 1 1 -17 -7  23 o 66.549  3.8697  540.587    62.216   576.431    87.658   504.200    88.319   68.549  5.3117  64.019  5.7469  4.530106       7.825616 
1 1 1 -17 -7  24 o 34.790  5.3198  150.964    43.480   144.253    61.705   157.583    61.276   33.635  7.7238  35.212  7.4067  -1.577175      10.70123 
1 1 1 -17 -7  25 o 216.936 5.1352  5738.56    270.302  5556.56    384.193  5916.94    380.366  212.878 7.4380  219.766 7.1331  -6.888077      10.30555 
1 1 1 -17 -7  26 o 96.095  4.0359  1123.94    94.104   1116.49    133.528  1131.30    132.645  95.440  5.7934  96.086  5.7151  -0.6460266     8.137976 
1 1 1 -17 -7  27 o 61.303  4.4877  460.252    66.289   324.454    91.425   610.775    96.255   50.863  7.6444  70.495  5.6754  -19.63167      9.520903 
1 1 1 -17 -7  28 f 59.873  8.0359  448.550    113.797  122.278    206.045  591.751    136.504  38.550  15.116  68.839  8.3427  -30.28937      17.26567 
1 1 1 -17 -7  29 o 212.929 7.4553  5571.34    385.181  5803.85    583.720  5392.01    512.634  215.342 11.210  208.351 10.140  6.990829       15.11603 
1 1 1 -17 -7  30 o 129.690 6.3289  2060.90    199.157  2065.82    323.872  2057.91    252.549  128.350 10.491  128.945 8.1133  -0.5950928     13.26243 
1 1 1 -17 -7  31 o 80.307  4.0572  787.907    78.802   678.991    110.493  900.648    112.416  74.174  6.1960  85.649  5.4375  -11.47453      8.243597 
1 1 1 -17 -7  32 o 136.544 4.2139  2274.05    139.610  2168.87    199.289  2375.42    195.640  132.942 6.1781  139.225 5.7913  -6.282303      8.468074 
1 1 1 -17 -7  33 o 112.333 4.0729  1539.54    111.014  1427.20    157.146  1651.45    156.849  107.633 6.0416  116.062 5.5696  -8.428986      8.217165 
1 1 1 -17 -7  34 o 64.103  4.2372  504.095    65.533   448.231    91.347   563.335    94.068   59.998  6.3722  67.470  5.8025  -7.472122      8.618243 
1 1 1 -17 -7  35 o 50.486  4.8257  315.088    58.395   313.429    78.684   317.121    87.124   49.939  6.6595  50.041  7.3986  -0.1013298     9.954310 
1 1 1 -17 -7  36 o 27.902  6.6843  100.255    44.660   125.878    58.482   64.407     69.173   31.162  7.7631  24.622  8.9508  6.539827       11.84838 
1 1 1 -17 -7  37 o 15.985  6.5406  12.020     40.333   -32.4728   50.643   89.179     66.692   14.285  6.5310  26.951  8.8357  -12.66574      10.98745 
1 1 1 -17 -7  38 o 53.604  4.5251  355.299    58.305   260.143    78.050   475.444    87.702   45.039  7.3990  61.685  5.9327  -16.64620      9.483778 
1 1 1 -17 -7  39 o 44.935  4.9678  251.832    53.258   223.344    69.965   291.082    82.124   41.668  7.1793  47.647  7.3391  -5.978458      10.26667 
1 1 1 -17 -7  40 o 81.143  5.1268  817.001    100.422  797.097    126.162  851.417    165.897  79.570  6.5940  81.286  8.5388  -1.715942      10.78849 
1 1 1 -17 -7  41 o 40.492  6.4225  209.796    60.994   201.500    73.571   228.033    109.078  39.153  8.0141  40.791  10.837  -1.638008      13.47817 
1 1 1 -17 -7  42 o 34.743  5.7478  154.063    46.760   142.981    60.067   171.109    74.495   32.926  7.6623  35.791  8.6697  -2.864697      11.57040 
1 1 1 -17 -7  43 o 27.994  7.8171  103.141    55.134   120.923    74.449   81.546     82.045   30.265  9.2675  26.713  9.7424  3.551867       13.44626 
1 1 1 -17 -7  44 o 46.760  5.3913  275.435    60.048   332.480    86.396   222.129    83.517   50.748  7.2200  40.757  8.7095  9.990635       11.31299 
1 1 1 -17 -7  45 o 90.420  4.2179  1008.41    92.539   983.269    133.611  1031.58    128.290  88.213  6.2834  90.592  5.8678  -2.379097      8.597195 
1 1 1 -17 -7  46 o 14.938  6.8170  -30.9656   54.862   -297.2559  143.194  14.848     59.394   17.815  8.8256  18.791  7.8360  -0.9756145     11.80227 
1 1 1 -17 -7  47 o 54.207  7.4102  382.840    94.913   312.857    191.729  405.558    109.237  45.078  14.991  55.297  8.4062  -10.21889      17.18708 
1 1 1 -17 -7  48 o 35.388  6.5130  163.648    53.863   174.624    78.240   153.759    74.264   35.642  9.0348  33.482  8.9633  2.160553       12.72672 
1 1 1 -17 -7  49 o 25.458  7.5638  86.044     50.135   79.480     75.696   91.174     66.916   25.702  9.3603  26.467  8.8576  -0.7653732     12.88694 
1 1 1 -17 -7  50 f 22.854  7.5355  66.835     48.483   59.661     68.281   74.129     68.853   23.298  8.8128  24.707  8.9380  -1.408531      12.55198 
1 1 1 -17 -7  51 o 48.662  5.0843  301.039    59.146   232.811    85.459   363.769    81.943   40.880  8.8704  52.800  6.5357  -11.91989      11.01817 
1 1 1 -17 -7  52 o 26.007  7.9433  91.898     54.734   111.526    74.172   68.432     81.102   28.412  9.3182  24.697  9.5389  3.715088       13.33490 
1 1 1 -17 -7  53 o 20.634  8.0914  41.682     59.039   -17.8229   70.275   184.432    108.847  17.585  7.8999  34.921  11.277  -17.33636      13.76916 
1 1 1 -17 -7  54 o 18.746  7.5134  29.428     51.977   57.646     67.693   -11.1083   81.133   22.730  8.7321  19.189  8.5636  3.541183       12.23053 
1 1 1 -17 -7  55 o 54.596  6.5174  393.062    84.632   359.398    99.663   480.104    160.257  50.930  8.3546  55.314  12.262  -4.384518      14.83780 
1 1 1 -17 -7  56 o 42.662  6.3704  240.613    63.922   130.041    86.639   372.707    94.696   30.075  10.079  52.379  7.6790  -22.30355      12.67075 
1 1 1 -17 -7  57 f 36.463  7.3963  181.637    63.200   190.842    86.334   171.010    92.769   36.134  9.6605  33.924  10.337  2.209679       14.14837 
1 1 1 -17 -7  58 o 31.143  10.101  141.749    87.246   -17.8749   355.444  151.982    90.000   33.097  15.804  32.091  10.243  1.006149       18.83371 
1 1 1 -17 -7  59 o 38.347  11.962  236.267    123.381  335.573    329.388  220.059    133.069  40.117  17.608  36.752  12.490  3.364811       21.58790 
1 1 1 -17 -7  60 o 58.503  10.340  512.796    141.408  761.662    352.673  465.121    154.360  52.603  19.997  53.684  12.135  -1.080887      23.39113 
1 1 1 -17 -6  1  o 140.912 3.9653  2415.75    135.577  2450.17    194.122  2382.98    189.434  141.707 5.6457  139.759 5.5862  1.948090       7.942246 
1 1 1 -17 -6  2  f 152.270 3.9273  2820.63    145.100  2726.08    206.691  2912.50    203.747  149.471 5.6990  154.537 5.4337  -5.066498      7.874240 
1 1 1 -17 -6  3  o 166.006 4.2941  3354.16    172.964  2945.61    246.716  3749.03    242.554  155.236 6.5500  175.290 5.7028  -20.05400      8.684695 
1 1 1 -17 -6  4  o 257.679 5.8486  8103.41    365.673  7624.10    520.333  8571.14    514.006  249.084 8.6094  264.326 8.0143  -15.24193      11.76221 
1 1 1 -17 -6  5  o 91.637  8.7971  1041.46    193.199  1041.46    193.199  0.0000     0.0000   91.637  8.7971  ?       ?       0.000000       8.797124 
1 1 1 -17 -6  6  o 73.939  9.3300  683.321    163.661  683.321    163.661  0.0000     0.0000   73.939  9.3300  ?       ?       0.000000       9.329993 
1 1 1 -17 -6  7  o 86.764  9.5229  938.068    197.185  938.068    197.185  0.0000     0.0000   86.764  9.5229  ?       ?       0.000000       9.522874 
1 1 1 -17 -6  8  o 46.057  4.1557  260.191    45.941   321.491    62.992   190.535    67.148   51.106  5.1500  38.818  7.3993  12.28829       9.015074 
1 1 1 -17 -6  9  o 141.569 4.0967  2438.44    140.722  2545.81    201.359  2335.93    196.742  144.452 5.7449  138.354 5.8606  6.098175       8.206733 
1 1 1 -17 -6  10 o 36.036  4.3103  160.279    36.940   177.285    55.238   146.522    49.684   37.605  6.2748  34.116  6.2316  3.489426       8.843456 
1 1 1 -17 -6  11 o 93.849  4.6317  1072.47    105.471  1106.83    130.584  1007.99    178.883  95.086  5.6860  90.263  8.2592  4.823174       10.02717 
1 1 1 -17 -6  12 o 90.281  3.8866  991.394    85.139   1142.36    128.827  874.329    113.443  96.630  5.5174  84.489  5.5648  12.14124       7.836368 
1 1 1 -17 -6  13 o 41.457  4.8646  212.189    48.003   209.138    79.592   213.933    60.180   40.552  8.3666  41.413  6.1781  -0.8608589     10.40043 
1 1 1 -17 -6  14 o 150.988 4.4160  2774.99    161.782  3024.61    233.504  2544.54    224.359  157.393 6.1143  144.318 6.4071  13.07509       8.856354 
1 1 1 -17 -6  15 o 46.491  4.6084  265.735    51.300   267.671    82.430   264.512    65.540   46.150  7.6276  46.173  5.9912  -0.2263260E-01 9.699267 
1 1 1 -17 -6  16 o 86.719  3.9569  914.801    83.259   1059.58    125.549  801.148    111.238  93.040  5.5872  80.838  5.7078  12.20207       7.987247 
1 1 1 -17 -6  17 o 67.394  5.3270  557.121    86.399   0.0000     0.0000   557.121    86.399   ?       ?       67.394  5.3270  0.000000       5.326966 
1 1 1 -17 -6  18 o 89.105  5.2111  971.041    112.176  0.0000     0.0000   971.041    112.176  ?       ?       89.105  5.2111  0.000000       5.211090 
1 1 1 -17 -6  19 o 275.127 12.664  9439.66    845.383  0.0000     0.0000   9439.66    845.383  ?       ?       275.127 12.664  0.000000       12.66358 
1 1 1 -17 -6  20 o 167.844 6.5227  3443.32    265.641  3901.67    362.718  2913.09    390.123  178.235 8.3871  153.121 10.565  25.11438       13.48935 
1 1 1 -17 -6  21 o 126.385 5.5009  1948.27    168.693  1896.65    220.903  2020.48    261.283  124.226 7.3615  127.971 8.4624  -3.745232      11.21623 
1 1 1 -17 -6  22 o 148.101 4.2038  2669.48    151.064  2780.83    214.653  2560.21    212.636  150.933 5.8612  144.792 6.0524  6.140518       8.425309 
1 1 1 -17 -6  23 o 129.653 4.0332  2045.44    126.881  2117.73    179.913  1973.92    178.964  131.739 5.6284  127.164 5.8001  4.574379       8.082100 
1 1 1 -17 -6  24 o 139.048 4.1159  2353.07    138.867  2441.61    197.330  2266.21    195.458  141.428 5.7504  136.229 5.9132  5.198685       8.248165 
1 1 1 -17 -6  25 o 116.908 4.0975  1663.47    116.231  1801.16    165.781  1530.37    163.004  121.477 5.6244  111.764 6.0332  9.713058       8.248228 
1 1 1 -17 -6  26 o 14.050  6.1524  -9.3872    40.008   -2.9628    52.902   -17.9709   61.150   16.845  7.2252  17.094  7.5417  -0.2490845     10.44417 
1 1 1 -17 -6  27 o 211.636 7.4394  5496.25    382.023  5594.44    577.865  5420.03    509.159  211.682 11.291  209.195 10.031  2.487228       15.10349 
1 1 1 -17 -6  28 o 16.892  7.9760  -96.2872   85.649   -130.9036  163.882  -83.2790   100.461  24.767  11.475  19.385  8.9825  5.382412       14.57282 
1 1 1 -17 -6  29 o 196.402 7.1867  4736.06    342.484  4837.07    524.312  4660.89    452.316  196.623 11.034  193.929 9.6125  2.693558       14.63415 
1 1 1 -17 -6  30 o 213.425 5.1282  5562.68    265.566  5459.27    377.886  5663.58    373.290  210.688 7.3919  214.682 7.1662  -3.993668      10.29535 
1 1 1 -17 -6  31 o 110.966 4.0632  1500.66    109.400  1500.53    156.466  1500.78    153.021  110.542 5.8544  110.580 5.7227  -0.3858185E-01 8.186741 
1 1 1 -17 -6  32 o 165.906 4.4532  3359.69    179.266  3318.67    255.804  3399.28    251.298  164.355 6.4145  166.400 6.2240  -2.044937      8.937801 
1 1 1 -17 -6  33 o 92.017  4.0070  1032.94    89.464   1060.78    126.254  1004.85    126.789  92.834  5.6316  90.301  5.8176  2.533417       8.096886 
1 1 1 -17 -6  34 o 42.219  5.3770  222.083    53.832   255.711    73.614   183.428    78.924   44.988  6.9691  37.595  8.8063  7.392269       11.23032 
1 1 1 -17 -6  35 o 43.099  5.1619  231.137    52.908   175.152    70.089   305.292    80.666   36.792  8.0729  49.189  6.9523  -12.39701      10.65390 
1 1 1 -17 -6  36 o 15.706  6.4969  9.0679     40.358   -12.6690   50.678   46.753     66.728   15.623  6.8807  22.726  8.6841  -7.103187      11.07962 
1 1 1 -17 -6  37 o 34.521  5.9266  151.305    47.854   117.305    64.155   193.950    71.850   30.065  8.4456  38.665  7.9248  -8.599173      11.58145 
1 1 1 -17 -6  38 o 48.270  4.7586  289.262    55.010   228.133    74.705   361.669    81.305   42.040  7.6035  53.585  6.3786  -11.54525      9.924713 
1 1 1 -17 -6  39 o 105.080 4.7763  1360.24    121.780  1374.46    146.204  1328.04    220.072  105.123 5.7537  101.535 9.0269  3.587761       10.70465 
1 1 1 -17 -6  40 o 45.838  5.9026  265.355    64.124   212.652    76.726   387.438    116.776  40.256  8.1349  54.234  9.2029  -13.97789      12.28292 
1 1 1 -17 -6  41 o 23.008  7.4718  65.592     47.734   40.910     55.523   135.519    93.456   20.810  7.9288  32.209  10.455  -11.39879      13.12111 
1 1 1 -17 -6  42 o 61.579  4.1463  468.634    61.591   446.097    86.049   492.312    88.198   59.461  6.0483  62.556  5.8796  -3.095089      8.435156 
1 1 1 -17 -6  43 o 49.657  5.0108  308.535    59.548   239.816    86.591   370.193    82.022   42.425  8.7036  53.958  6.3889  -11.53255      10.79682 
1 1 1 -17 -6  44 o 62.119  4.5756  479.394    68.482   554.822    98.604   409.111    95.182   66.227  6.2087  56.419  7.1108  9.807346       9.439870 
1 1 1 -17 -6  45 o 76.825  5.5443  740.304    102.655  660.635    231.390  759.826    114.545  66.412  14.744  77.553  6.1372  -11.14136      15.97012 
1 1 1 -17 -6  46 o 64.400  6.8999  532.280    106.139  610.523    214.465  506.901    122.146  63.912  14.199  62.083  8.3176  1.828590       16.45555 
1 1 1 -17 -6  47 o 59.814  7.0072  462.216    99.771   646.678    214.148  411.077    112.756  65.749  13.860  55.506  8.6544  10.24312       16.34028 
1 1 1 -17 -6  48 o 90.812  4.2877  1022.18    94.478   1009.06    134.512  1034.95    132.729  88.971  6.2710  90.227  6.0985  -1.256096      8.747434 
1 1 1 -17 -6  49 o 28.032  7.1937  105.356    49.174   97.958     72.412   111.687    66.989   27.325  9.2138  28.696  8.7916  -1.370329      12.73526 
1 1 1 -17 -6  50 o 47.373  5.4934  286.940    61.972   366.571    88.423   210.062    86.882   52.790  7.0817  38.640  9.3646  14.15021       11.74084 
1 1 1 -17 -6  51 o 39.284  6.0422  201.219    55.748   193.595    79.983   208.422    77.744   37.109  8.9799  38.790  8.4953  -1.680935      12.36164 
1 1 1 -17 -6  52 o 21.846  7.7910  58.176     52.114   46.821     70.224   72.096     77.750   22.108  8.7751  24.771  9.3958  -2.663260      12.85627 
1 1 1 -17 -6  53 o 22.174  8.1182  58.874     57.047   44.012     77.866   76.095     83.817   22.431  9.1226  25.338  9.7207  -2.907085      13.33092 
1 1 1 -17 -6  54 o 50.283  6.8761  336.620    81.695   280.356    95.774   486.906    156.529  44.314  9.2079  56.235  11.846  -11.92112      15.00351 
1 1 1 -17 -6  55 o 29.516  9.0077  123.866    70.406   89.374     82.411   217.066    135.467  26.312  9.7366  36.845  12.602  -10.53318      15.92482 
1 1 1 -17 -6  56 o 44.012  6.2464  254.877    64.835   262.424    85.189   244.488    99.951   43.391  8.3950  40.657  10.160  2.733250       13.17975 
1 1 1 -17 -6  57 o 42.354  6.4981  237.804    64.648   215.254    84.714   269.249    100.036  38.727  9.1590  42.976  9.8094  -4.249229      13.42054 
1 1 1 -17 -6  58 o 23.601  10.149  31.007     104.872  -783.3434  306.937  138.639    111.588  21.992  11.150  30.951  11.351  -8.958221      15.91122 
1 1 1 -17 -6  59 o 46.755  11.520  343.338    129.848  365.744    337.742  339.451    140.659  40.638  17.834  45.579  12.392  -4.941036      21.71648 
1 1 1 -17 -5  1  o 51.999  3.5670  330.309    44.732   364.837    63.088   295.400    63.436   54.516  4.8189  48.921  5.4360  5.595798       7.264490 
1 1 1 -17 -5  2  f 110.741 3.7621  1491.48    101.089  1323.21    143.051  1659.33    142.871  103.990 5.6910  116.691 5.0459  -12.70168      7.605853 
1 1 1 -17 -5  3  f 40.572  4.0662  202.263    39.490   218.398    52.868   181.898    59.396   41.998  5.3064  38.029  6.6807  3.969479       8.531696 
1 1 1 -17 -5  4  o 190.763 10.329  4508.03    476.303  4508.03    476.303  0.0000     0.0000   190.763 10.329  ?       ?       0.000000       10.32869 
1 1 1 -17 -5  5  o 195.180 10.472  4720.97    494.127  4720.97    494.127  0.0000     0.0000   195.180 10.472  ?       ?       0.000000       10.47194 
1 1 1 -17 -5  6  o 100.641 8.8523  1254.38    213.971  1254.38    213.971  0.0000     0.0000   100.641 8.8523  ?       ?       0.000000       8.852259 
1 1 1 -17 -5  7  o 65.104  3.7655  517.170    59.229   490.591    82.766   545.069    84.797   63.200  5.4505  66.664  5.2857  -3.463902      7.592491 
1 1 1 -17 -5  8  o 156.801 4.2454  2991.96    161.521  3199.49    231.998  2796.73    225.012  161.918 5.9051  151.350 6.1272  10.56799       8.509543 
1 1 1 -17 -5  9  o 117.201 3.8440  1670.64    109.316  1875.95    158.596  1484.82    150.884  124.058 5.2687  110.187 5.6626  13.87074       7.734628 
1 1 1 -17 -5  10 o 159.100 5.2248  3085.17    201.699  3214.15    245.816  2819.40    352.866  162.232 6.2447  150.954 9.6850  11.27805       11.52368 
1 1 1 -17 -5  11 o 310.259 7.9343  11802.97   597.311  12201.25   728.494  10985.96   1043.39  314.711 9.5400  295.670 14.544  19.04175       17.39347 
1 1 1 -17 -5  12 o 152.908 4.2939  2845.43    159.310  3195.46    229.138  2517.91    221.645  161.827 5.8356  143.572 6.3625  18.25508       8.633337 
1 1 1 -17 -5  13 o 128.402 4.0439  2005.75    125.990  2221.86    182.352  1808.36    174.275  134.975 5.5679  121.730 5.9003  13.24490       8.112629 
1 1 1 -17 -5  14 o 163.908 4.4203  3270.17    175.798  3556.57    252.257  2999.73    245.127  170.682 6.0910  156.693 6.4473  13.98901       8.869520 
1 1 1 -17 -5  15 o 57.740  4.5378  408.366    63.063   451.800    112.366  388.395    76.194   60.212  7.8801  56.147  5.6706  4.065918       9.708316 
1 1 1 -17 -5  16 o 101.441 5.2532  1257.61    128.858  0.0000     0.0000   1257.61    128.858  ?       ?       101.441 5.2532  0.000000       5.253203 
1 1 1 -17 -5  17 o 191.505 6.7493  4483.98    313.622  0.0000     0.0000   4483.98    313.622  ?       ?       191.505 6.7493  0.000000       6.749344 
1 1 1 -17 -5  18 o 177.581 6.4347  3853.01    277.259  0.0000     0.0000   3853.01    277.259  ?       ?       177.581 6.4347  0.000000       6.434658 
1 1 1 -17 -5  19 o 34.915  8.8051  155.656    74.583   310.027    104.809  -2.7074    106.155  49.454  9.0686  23.946  10.252  25.50774       13.68744 
1 1 1 -17 -5  20 o 133.478 5.9386  2174.79    192.335  2482.19    258.342  1792.52    288.090  142.146 7.5170  120.123 9.9743  22.02287       12.48967 
1 1 1 -17 -5  21 o 24.915  7.8841  74.976     53.406   72.543     64.307   80.383     95.874   25.356  8.6822  28.527  10.512  -3.171103      13.63404 
1 1 1 -17 -5  22 o 39.833  4.8192  196.086    45.631   210.830    64.709   181.503    64.356   40.996  6.7394  37.880  7.2662  3.116047       9.910425 
1 1 1 -17 -5  23 o 187.180 4.7560  4268.15    216.005  4206.37    306.454  4329.15    304.511  185.421 6.8115  188.140 6.6705  -2.718918      9.533703 
1 1 1 -17 -5  24 o 200.850 4.9940  4916.86    243.381  5089.05    345.698  4747.64    342.707  203.885 6.9879  196.879 7.1740  7.005737       10.01482 
1 1 1 -17 -5  25 o 91.933  3.9177  1028.38    87.391   993.961    124.164  1062.16    123.023  90.055  5.7118  93.144  5.4673  -3.088310      7.906742 
1 1 1 -17 -5  26 o 147.349 4.1814  2643.24    149.497  2688.26    213.371  2599.83    209.522  148.339 5.9281  145.881 5.9193  2.458878       8.377351 
1 1 1 -17 -5  27 o 126.323 5.7815  1949.44    177.209  2740.03    289.144  1473.84    224.264  149.081 8.0229  109.076 8.5418  40.00507       11.71876 
1 1 1 -17 -5  28 f 132.427 5.9590  2144.19    191.475  2487.50    309.174  1930.59    243.872  141.650 9.0426  125.003 8.0837  16.64761       12.12908 
1 1 1 -17 -5  29 o 78.090  6.0380  750.505    113.519  780.242    200.846  736.546    137.607  78.440  10.843  77.070  7.4515  1.369942       13.15617 
1 1 1 -17 -5  30 o 134.169 4.1160  2193.36    133.996  2075.24    190.203  2309.74    188.802  130.187 6.0212  137.419 5.6623  -7.231812      8.265442 
1 1 1 -17 -5  31 o 144.355 4.2078  2540.72    147.385  2628.76    210.591  2456.21    206.340  146.479 5.9252  141.570 6.0068  4.908127       8.437427 
1 1 1 -17 -5  32 o 15.598  6.4675  7.7664     40.130   79.292     55.522   -70.4674   58.068   25.454  8.0372  13.675  6.4894  11.77981       10.32995 
1 1 1 -17 -5  33 f 63.200  4.1588  489.644    63.419   446.784    89.865   532.166    89.511   59.954  6.2703  65.617  5.6780  -5.663578      8.459057 
1 1 1 -17 -5  34 o 75.691  3.9587  701.307    72.452   822.196    102.440  580.311    102.486  81.721  5.1932  68.355  6.2482  13.36594       8.124592 
1 1 1 -17 -5  35 o 100.074 3.9168  1223.47    95.107   1168.34    135.131  1277.58    133.881  97.243  5.7527  101.798 5.4399  -4.554733      7.917442 
1 1 1 -17 -5  36 f 34.158  5.7003  147.568    45.580   87.579     63.562   211.068    65.397   26.654  8.6190  40.706  6.8654  -14.05238      11.01914 
1 1 1 -17 -5  37 o 24.072  6.5295  74.391     39.103   116.281    53.719   27.179     57.030   29.917  7.4332  19.799  7.8923  10.11870       10.84161 
1 1 1 -17 -5  38 o 90.316  3.9716  999.446    87.036   1039.92    124.094  960.260    122.105  91.516  5.6155  87.876  5.7584  3.639763       8.043258 
1 1 1 -17 -5  39 o 43.597  6.1383  240.818    63.134   172.097    75.287   403.658    115.892  36.050  8.7053  55.606  8.8888  -19.55602      12.44162 
1 1 1 -17 -5  40 o 61.589  5.4962  474.045    81.272   591.157    99.011   232.166    142.292  68.644  6.0049  40.969  12.857  27.67462       14.18993 
1 1 1 -17 -5  41 o 87.985  5.3565  963.998    113.810  1063.31    142.084  786.210    190.107  91.920  6.4106  76.681  10.493  15.23861       12.29618 
1 1 1 -17 -5  42 o 95.927  4.1846  1132.82    97.399   1253.46    139.470  1017.97    136.080  100.104 5.7664  89.927  6.2758  10.17677       8.522744 
1 1 1 -17 -5  43 o 17.726  7.0616  22.588     45.630   1.7161     69.985   38.022     60.181   19.261  8.2873  20.963  8.1833  -1.701178      11.64676 
1 1 1 -17 -5  44 o 60.751  4.6600  459.104    68.168   498.219    97.773   422.105    95.092   62.579  6.5355  57.366  6.9752  5.213768       9.558537 
1 1 1 -17 -5  45 o 28.014  9.1655  101.349    71.778   457.451    163.779  16.691     79.855   56.640  12.272  21.366  9.0090  35.27408       15.22358 
1 1 1 -17 -5  46 o 31.732  9.1434  136.375    74.245   209.102    179.757  121.416    81.524   38.850  14.379  30.234  9.7595  8.615879       17.37844 
1 1 1 -17 -5  47 o 33.751  6.6622  149.397    52.623   86.563     77.750   202.511    71.484   26.631  9.5142  38.964  7.8326  -12.33387      12.32351 
1 1 1 -17 -5  48 o 32.971  7.0833  144.520    54.978   259.799    79.583   39.279     76.038   44.208  7.6989  22.373  9.0450  21.83442       11.87791 
1 1 1 -17 -5  49 o 26.920  7.5498  97.442     51.311   107.529    73.697   87.951     71.484   28.305  9.2886  26.246  9.1450  2.059462       13.03487 
1 1 1 -17 -5  50 f 16.263  6.8804  7.6918     46.830   -24.7725   71.164   32.488     62.194   17.466  7.8885  20.302  8.1898  -2.836081      11.37110 
1 1 1 -17 -5  51 o 31.108  7.0376  130.628    51.879   104.916    75.682   153.420    71.254   27.825  9.4194  33.063  8.7467  -5.238535      12.85415 
1 1 1 -17 -5  52 o 20.599  8.1368  39.882     60.111   20.506     78.115   68.016     94.127   20.851  8.8573  25.394  10.134  -4.543245      13.45929 
1 1 1 -17 -5  53 f 52.794  5.6680  360.158    71.471   250.611    94.522   506.400    109.211  41.650  9.5559  61.396  7.4861  -19.74530      12.13904 
1 1 1 -17 -5  54 o 23.616  8.7113  68.328     65.864   73.342     74.134   49.542     143.493  24.533  9.2037  27.103  11.763  -2.569927      14.93586 
1 1 1 -17 -5  55 o 23.679  8.5601  70.386     63.138   68.903     73.928   74.382     121.377  24.130  9.1597  27.174  11.256  -3.043839      14.51193 
1 1 1 -17 -5  56 o 68.363  5.0349  594.638    82.930   534.576    112.272  666.757    123.025  63.081  7.4809  70.691  7.2763  -7.610344      10.43599 
1 1 1 -17 -5  57 o 70.526  4.8927  631.494    83.208   592.906    112.735  677.670    123.324  66.756  7.0674  71.259  7.2328  -4.502678      10.11241 
1 1 1 -17 -5  58 o 44.757  12.139  320.660    135.160  763.872    330.196  231.451    148.139  56.672  19.660  37.378  13.156  19.29467       23.65575 
1 1 1 -17 -5  59 o 19.851  9.2903  -62.3144   111.747  -285.7444  332.824  -33.9269   118.634  27.722  13.682  21.507  9.8925  6.214947       16.88408 
1 1 1 -17 -4  1  o 111.975 3.7248  1524.82    101.201  1412.62    144.158  1633.84    142.103  107.479 5.5467  115.792 5.0578  -8.312752      7.506464 
1 1 1 -17 -4  2  o 148.621 4.1231  2687.57    148.686  2628.07    211.415  2745.81    209.151  146.738 5.9379  150.017 5.7458  -3.279892      8.262751 
1 1 1 -17 -4  3  o 148.335 5.8634  2685.08    211.036  2685.08    211.036  0.0000     0.0000   148.335 5.8634  ?       ?       0.000000       5.863403 
1 1 1 -17 -4  4  o 52.219  10.136  347.578    123.796  347.578    123.796  0.0000     0.0000   52.219  10.136  ?       ?       0.000000       10.13597 
1 1 1 -17 -4  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -17 -4  6  o 252.314 8.2677  7812.53    506.160  7343.84    744.612  8215.15    690.127  242.453 12.701  257.586 11.042  -15.13318      16.83001 
1 1 1 -17 -4  7  o 176.378 5.1164  3790.83    218.967  4070.97    273.890  3294.64    364.514  182.595 6.1819  163.374 9.2331  19.22090       11.11156 
1 1 1 -17 -4  8  o 70.852  3.8784  612.377    66.422   624.846    108.535  604.910    83.986   71.249  6.3445  70.294  4.9558  0.9543839      8.050648 
1 1 1 -17 -4  9  o 88.712  3.6356  956.884    78.257   1057.98    114.603  868.556    107.120  93.043  5.0957  84.253  5.2663  8.789940       7.327985 
1 1 1 -17 -4  10 f 151.934 5.1317  2812.98    189.182  2921.86    230.318  2587.16    331.688  154.700 6.1358  144.638 9.5040  10.06267       11.31260 
1 1 1 -17 -4  11 o 149.220 4.2700  2709.68    154.603  3119.25    223.374  2333.08    214.197  159.900 5.7573  138.201 6.3876  21.69940       8.599319 
1 1 1 -17 -4  12 o 100.075 3.8332  1218.03    93.078   1371.85    136.992  1086.13    126.856  105.950 5.3461  94.209  5.5743  11.74029       7.723550 
1 1 1 -17 -4  13 o 83.349  3.8753  844.943    78.373   1021.91    116.507  698.674    105.919  91.414  5.2750  75.450  5.8309  15.96397       7.862885 
1 1 1 -17 -4  14 o 186.530 4.7435  4237.16    214.692  4806.14    306.870  3691.66    300.473  198.358 6.3759  173.697 7.1293  24.66063       9.564486 
1 1 1 -17 -4  15 o 248.467 6.5405  7543.92    394.315  8888.28    669.312  6829.27    487.993  268.289 10.282  235.815 8.5286  32.47372       13.35850 
1 1 1 -17 -4  16 o 109.164 5.3504  1452.74    141.719  0.0000     0.0000   1452.74    141.719  ?       ?       109.164 5.3504  0.000000       5.350404 
1 1 1 -17 -4  17 o 44.809  6.3636  250.068    67.245   0.0000     0.0000   250.068    67.245   ?       ?       44.809  6.3636  0.000000       6.363568 
1 1 1 -17 -4  18 o 149.852 9.0860  2772.38    328.807  0.0000     0.0000   2772.38    328.807  ?       ?       149.852 9.0860  0.000000       9.085952 
1 1 1 -17 -4  19 o 155.018 6.2594  2935.06    235.442  3351.68    318.073  2430.12    350.166  165.322 7.9293  139.873 10.392  25.44873       13.07144 
1 1 1 -17 -4  20 o 124.338 5.5500  1885.64    167.442  1925.90    218.806  1828.74    260.113  125.224 7.2321  121.635 8.8745  3.588058       11.44813 
1 1 1 -17 -4  21 o 155.724 4.2968  2951.55    162.354  3071.60    230.873  2834.11    228.355  158.616 5.9988  152.332 6.1781  6.284378       8.611282 
1 1 1 -17 -4  22 o 46.796  4.4109  268.942    49.494   257.427    68.616   281.432    71.460   45.462  6.3972  47.582  6.3479  -2.119537      9.012200 
1 1 1 -17 -4  23 o 136.132 4.6363  2257.09    153.143  2332.30    192.029  2125.68    253.835  138.240 5.7249  131.370 8.0014  6.870529       9.838544 
1 1 1 -17 -4  24 o 45.939  4.6504  259.664    51.122   258.258    73.945   260.950    70.755   45.431  6.9272  45.740  6.5632  -0.3097153     9.542626 
1 1 1 -17 -4  25 f 244.524 5.6684  7298.77    336.312  7559.83    477.560  7041.92    473.697  248.130 7.9320  239.398 8.1549  8.731705       11.37624 
1 1 1 -17 -4  26 o 224.693 7.5362  6194.64    410.871  6655.66    618.036  5829.51    550.012  231.438 11.006  216.849 10.453  14.58870       15.17874 
1 1 1 -17 -4  27 o 18.519  7.8696  1.3146     61.710   43.931     137.480  -9.4382    69.057   29.566  12.084  18.835  8.1676  10.73129       14.58538 
1 1 1 -17 -4  28 o 120.213 5.8558  1766.61    170.805  2016.14    282.355  1622.60    214.504  127.406 9.1953  114.631 7.7577  12.77565       12.03065 
1 1 1 -17 -4  29 f 32.817  5.9872  135.808    45.918   107.319    62.327   169.626    67.907   29.157  8.3705  36.436  7.9080  -7.279425      11.51533 
1 1 1 -17 -4  30 o 69.410  4.0196  588.899    67.408   547.085    94.456   632.296    96.227   66.595  5.9068  71.691  5.5757  -5.096039      8.122725 
1 1 1 -17 -4  31 o 237.917 5.5743  6929.07    321.795  6893.09    457.381  6964.33    452.827  236.196 7.9807  237.479 7.8586  -1.282730      11.20039 
1 1 1 -17 -4  32 o 195.133 4.9001  4655.75    232.004  4896.34    330.300  4421.44    325.950  199.382 6.8275  189.353 7.0944  10.02881       9.846040 
1 1 1 -17 -4  33 o 62.293  4.1096  475.730    61.766   559.737    87.699   393.044    87.007   67.351  5.4121  56.123  6.5101  11.22788       8.465960 
1 1 1 -17 -4  34 o 112.305 3.9786  1540.26    108.417  1523.70    155.100  1556.09    151.610  111.155 5.7705  112.531 5.5525  -1.376282      8.008067 
1 1 1 -17 -4  35 o 122.313 4.0621  1829.09    120.557  1818.94    172.065  1838.87    168.963  121.477 5.8376  122.185 5.6991  -0.7086182     8.158301 
1 1 1 -17 -4  36 o 113.791 4.0321  1584.38    111.328  1538.35    158.825  1628.84    156.095  111.441 5.8946  114.924 5.5978  -3.483147      8.129059 
1 1 1 -17 -4  37 o 80.286  3.9605  789.222    77.153   765.283    108.436  813.767    109.798  78.470  5.7349  80.966  5.6238  -2.496040      8.032202 
1 1 1 -17 -4  38 o 91.951  3.9555  1036.19    88.252   985.790    125.675  1085.21    123.956  88.978  5.8538  93.517  5.4868  -4.539322      8.023179 
1 1 1 -17 -4  39 o 59.662  5.6283  445.168    80.515   466.598    98.471   401.939    139.854  60.687  6.8044  54.501  10.956  6.185688       12.89671 
1 1 1 -17 -4  40 o 39.564  6.5229  200.694    60.437   188.094    71.525   232.145    113.005  37.805  8.0445  41.121  11.077  -3.316025      13.69022 
1 1 1 -17 -4  41 o 30.224  5.8867  117.557    41.617   149.653    58.024   83.552     59.724   33.805  7.2885  25.752  8.3575  8.052528       11.08918 
1 1 1 -17 -4  42 o 52.582  4.9572  345.251    62.500   356.308    91.629   335.631    85.469   52.549  7.3905  51.099  7.0840  1.450058       10.23731 
1 1 1 -17 -4  43 o 19.904  7.3742  40.895     47.299   68.600     72.270   20.136     62.559   24.867  9.1323  19.679  8.1096  5.187803       12.21332 
1 1 1 -17 -4  44 o 10.731  5.1898  -64.6625   41.258   -45.6000   65.007   -77.5204   53.390   15.754  7.2738  12.406  5.9758  3.348116       9.413727 
1 1 1 -17 -4  45 o 41.359  8.2254  227.694    79.639   -242.1585  185.606  333.718    88.168   22.628  10.960  50.668  7.3890  -28.03951      13.21789 
1 1 1 -17 -4  46 o 48.240  8.0703  307.986    91.125   116.080    197.357  359.984    102.731  34.533  14.332  52.051  8.4217  -17.51847      16.62361 
1 1 1 -17 -4  47 o 23.990  7.7304  73.847     51.165   82.889     72.612   64.930     72.107   25.981  9.2038  24.258  9.0816  1.722685       12.93001 
1 1 1 -17 -4  48 o 53.279  5.2363  359.166    66.818   508.647    96.444   221.183    92.661   62.886  6.4102  39.726  9.6976  23.16019       11.62475 
1 1 1 -17 -4  49 o 49.692  5.2067  313.517    61.845   300.289    88.962   325.890    86.036   47.230  8.0517  49.621  7.3697  -2.391308      10.91518 
1 1 1 -17 -4  50 o 19.845  7.4031  42.621     47.833   99.814     72.311   -1.8758    63.781   27.314  9.2074  17.864  7.7966  9.450453       12.06502 
1 1 1 -17 -4  51 o 49.887  6.0800  323.270    72.073   334.417    97.255   309.691    107.343  49.345  8.4252  46.499  9.8219  2.845436       12.94042 
1 1 1 -17 -4  52 o 42.100  6.8411  236.294    67.484   245.031    86.792   222.936    107.317  41.702  8.8513  38.417  10.969  3.285126       14.09513 
1 1 1 -17 -4  53 o 22.804  8.1724  64.752     57.408   94.649     72.666   15.106     93.640   26.508  9.2212  21.898  9.5034  4.609884       13.24179 
1 1 1 -17 -4  54 o 29.624  9.0314  124.723    70.803   99.536     79.147   225.631    158.422  27.135  9.6094  37.164  13.540  -10.02931      16.60366 
1 1 1 -17 -4  55 o 46.287  6.1751  280.940    67.624   270.414    87.960   296.156    105.750  43.972  8.5519  45.062  9.9387  -1.089664      13.11160 
1 1 1 -17 -4  56 o 14.419  6.5325  -20.4482   49.243   -38.1521   60.931   12.888     83.611   15.193  7.0245  20.837  9.0114  -5.643847      11.42581 
1 1 1 -17 -4  57 o 58.213  10.158  493.481    138.262  554.747    340.745  481.406    151.275  47.952  19.231  56.196  11.482  -8.244133      22.39784 
1 1 1 -17 -4  58 o 16.635  8.1038  -149.1779  105.449  -475.4031  298.558  -102.6818  112.714  24.345  12.170  18.696  8.9199  5.649332       15.08861 
1 1 1 -17 -4  59 o 25.264  10.785  53.602     116.866  199.167    316.995  30.705     125.722  35.519  16.276  24.657  10.849  10.86208       19.56017 
1 1 1 -17 -3  1  o 31.933  4.4181  126.463    33.315   106.878    47.338   145.684    46.895   28.990  6.8402  34.075  5.8847  -5.084827      9.023195 
1 1 1 -17 -3  2  o 82.109  5.1600  824.831    102.280  824.831    102.280  0.0000     0.0000   82.109  5.1600  ?       ?       0.000000       5.159970 
1 1 1 -17 -3  3  f 51.995  10.233  344.899    124.501  344.899    124.501  0.0000     0.0000   51.995  10.233  ?       ?       0.000000       10.23271 
1 1 1 -17 -3  4  o 117.008 8.8623  1692.15    249.741  1692.15    249.741  0.0000     0.0000   117.008 8.8623  ?       ?       0.000000       8.862251 
1 1 1 -17 -3  5  o 81.193  5.5920  807.729    109.494  491.987    175.265  1009.85    140.227  61.923  12.099  90.700  6.4131  -28.77775      13.69333 
1 1 1 -17 -3  6  o 116.187 4.2736  1642.77    120.481  1730.60    152.497  1496.89    196.531  119.157 5.2744  110.334 7.3836  8.823051       9.074000 
1 1 1 -17 -3  7  o 229.632 5.3113  6427.56    295.936  6550.03    420.496  6307.36    416.564  231.271 7.4934  226.926 7.5654  4.344940       10.64830 
1 1 1 -17 -3  8  o 154.293 4.2008  2896.73    157.270  3063.84    224.697  2736.23    220.198  158.463 5.8439  149.719 6.0614  8.743774       8.419757 
1 1 1 -17 -3  9  o 218.147 6.2247  5810.87    329.484  6039.26    400.622  5333.49    579.195  222.087 7.4344  207.058 11.575  15.02887       13.75663 
1 1 1 -17 -3  10 o 28.539  6.1976  103.274    41.688   116.572    76.651   97.688     49.677   30.729  9.4026  27.752  7.2849  2.976501       11.89448 
1 1 1 -17 -3  11 o 214.417 5.1761  5602.74    269.297  6264.01    384.578  4966.55    377.214  226.298 7.0039  201.327 7.7219  24.97176       10.42507 
1 1 1 -17 -3  12 o 162.705 4.4391  3222.32    175.251  3634.80    252.499  2838.92    243.434  172.565 6.0304  152.419 6.5823  20.14651       8.927045 
1 1 1 -17 -3  13 o 239.473 5.5986  6993.97    325.310  7937.41    463.484  6077.92    456.708  254.585 7.5031  222.495 8.4597  32.08974       11.30762 
1 1 1 -17 -3  14 o 120.479 3.9989  1765.72    116.901  1969.64    170.228  1583.72    160.820  127.092 5.5201  113.781 5.8449  13.31106       8.039540 
1 1 1 -17 -3  15 o 73.839  5.3339  668.027    94.921   0.0000     0.0000   668.027    94.921   ?       ?       73.839  5.3339  0.000000       5.333904 
1 1 1 -17 -3  16 o 131.040 5.6926  2094.63    180.999  0.0000     0.0000   2094.63    180.999  ?       ?       131.040 5.6926  0.000000       5.692552 
1 1 1 -17 -3  17 o 57.507  5.0324  405.979    69.514   635.723    160.838  353.207    77.085   71.237  9.5450  53.456  6.0495  17.78100       11.30059 
1 1 1 -17 -3  18 o 85.026  5.7123  885.843    117.164  1036.91    159.312  707.885    172.913  91.768  7.2128  75.195  9.7035  16.57321       12.09060 
1 1 1 -17 -3  19 o 30.076  7.5648  115.118    55.153   70.893     68.610   195.899    92.726   25.519  8.9554  39.108  9.7933  -13.58945      13.27058 
1 1 1 -17 -3  20 f 133.627 5.6510  2178.31    183.224  2151.90    241.342  2214.25    281.507  132.321 7.5482  133.948 8.7087  -1.626953      11.52463 
1 1 1 -17 -3  21 o 55.316  4.1154  374.363    54.841   372.601    78.064   376.079    77.059   54.932  5.9520  55.209  5.8412  -0.2764168     8.339416 
1 1 1 -17 -3  22 o 23.654  6.7001  70.180     40.203   78.033     57.612   62.727     56.128   25.527  8.2006  23.639  8.1109  1.888344       11.53416 
1 1 1 -17 -3  23 o 222.569 5.2718  6040.26    284.700  6076.66    403.996  6004.35    401.272  222.671 7.4774  221.344 7.4715  1.326965       10.57043 
1 1 1 -17 -3  24 o 177.655 4.6546  3844.56    200.643  3900.38    285.488  3790.08    282.047  178.579 6.5886  176.033 6.6034  2.546417       9.328143 
1 1 1 -17 -3  25 o 91.288  3.9280  1014.04    87.005   1006.36    124.299  1021.42    121.827  90.620  5.6818  91.323  5.5239  -0.7030945     7.924412 
1 1 1 -17 -3  26 o 199.297 7.2326  4869.66    349.753  4590.41    531.176  5083.40    464.711  191.671 11.474  202.879 9.4402  -11.20877      14.85845 
1 1 1 -17 -3  27 o 76.155  6.1550  713.790    112.762  437.641    199.544  843.346    136.677  57.716  14.318  82.683  6.8750  -24.96738      15.88285 
1 1 1 -17 -3  28 o 53.441  7.1612  356.528    90.525   166.002    177.589  423.413    105.221  39.340  14.336  58.216  7.6329  -18.87624      16.24099 
1 1 1 -17 -3  29 o 85.273  3.9276  885.512    81.265   988.048    115.956  786.540    113.923  89.775  5.3475  79.963  5.9135  9.811600       7.972783 
1 1 1 -17 -3  30 o 29.769  6.3350  112.728    44.354   195.129    59.763   11.688     66.178   39.384  6.4794  19.891  8.2812  19.49204       10.51478 
1 1 1 -17 -3  31 o 193.467 4.7387  4571.69    222.449  4869.73    316.551  4280.92    312.667  199.065 6.5537  186.510 6.9090  12.55502       9.522856 
1 1 1 -17 -3  32 o 203.401 4.9288  5060.66    243.251  5238.89    346.191  4886.86    341.869  206.133 6.9216  199.014 7.0797  7.119568       9.900999 
1 1 1 -17 -3  33 o 135.924 4.2034  2256.64    138.630  2192.35    197.265  2319.37    194.863  133.480 6.0908  137.368 5.8463  -3.888290      8.442530 
1 1 1 -17 -3  34 o 134.852 4.1937  2223.10    137.221  2306.38    195.717  2142.58    192.443  136.849 5.8941  131.860 6.0149  4.989517       8.421371 
1 1 1 -17 -3  35 o 96.303  3.9499  1133.76    92.298   1180.18    132.095  1089.47    129.017  97.730  5.5937  93.857  5.6921  3.873314       7.980568 
1 1 1 -17 -3  36 o 70.552  4.0217  611.168    68.562   588.486    97.259   633.573    96.667   68.759  5.8864  71.439  5.6221  -2.680275      8.139898 
1 1 1 -17 -3  37 o 51.909  4.4514  333.181    55.523   365.242    77.118   298.674    80.005   53.972  5.9897  48.443  7.0103  5.529701       9.220725 
1 1 1 -17 -3  38 o 37.515  6.8161  181.012    59.759   176.154    70.804   193.043    111.422  36.627  8.1742  37.873  11.281  -1.245739      13.93157 
1 1 1 -17 -3  39 o 57.251  5.6732  410.649    77.771   360.803    94.530   515.064    136.814  52.974  7.5695  62.676  9.2766  -9.701458      11.97301 
1 1 1 -17 -3  40 o 15.106  6.5342  -3.3018    43.978   -34.3484   50.102   100.924    91.798   14.003  6.4365  29.062  10.343  -15.05884      12.18208 
1 1 1 -17 -3  41 o 53.983  4.7665  362.805    61.793   409.808    94.004   327.042    81.998   56.614  6.9917  50.540  6.8641  6.073715       9.797942 
1 1 1 -17 -3  42 o 48.555  5.2322  295.858    60.669   264.927    89.174   322.514    82.781   44.728  8.5279  50.095  7.0017  -5.367458      11.03397 
1 1 1 -17 -3  43 o 18.940  7.3229  31.644     47.836   -25.2529   72.007   76.590     64.000   17.861  8.0123  25.120  8.6587  -7.258945      11.79704 
1 1 1 -17 -3  44 f 31.662  8.9953  134.747    72.353   313.690    179.913  100.223    79.025   45.854  14.467  28.188  9.6248  17.66590       17.37581 
1 1 1 -17 -3  45 o 68.158  6.6019  592.927    107.813  480.803    212.453  631.817    125.121  55.658  15.271  69.892  7.4950  -14.23335      17.01077 
1 1 1 -17 -3  46 o 22.813  7.8060  63.588     51.981   150.196    76.051   -12.3497   71.213   33.146  9.1539  18.390  8.1248  14.75661       12.23955 
1 1 1 -17 -3  47 o 51.376  5.0705  332.815    62.384   312.306    91.951   350.307    84.917   48.379  8.1208  51.914  6.9132  -3.534824      10.66487 
1 1 1 -17 -3  48 o 47.855  5.2818  290.864    60.308   369.776    88.513   222.489    82.392   53.173  7.0330  40.283  8.6851  12.89014       11.17556 
1 1 1 -17 -3  49 o 21.894  7.5376  59.306     48.493   56.637     77.427   61.029     62.204   23.685  9.2722  22.971  8.4670  0.7132950      12.55640 
1 1 1 -17 -3  50 o 37.689  6.3143  186.651    55.701   69.853     86.770   268.515    72.644   25.255  9.8353  45.076  6.8581  -19.82155      11.99026 
1 1 1 -17 -3  51 o 57.866  5.4795  429.121    76.019   371.872    101.189  503.294    115.178  52.124  8.2775  61.000  7.9725  -8.876026      11.49256 
1 1 1 -17 -3  52 o 36.606  7.5885  183.502    65.188   175.155    83.067   196.885    105.177  34.752  9.5544  36.086  11.009  -1.334629      14.57674 
1 1 1 -17 -3  53 o 26.961  9.0917  99.673     70.505   102.050    78.743   90.063     158.332  27.375  9.5947  29.714  12.616  -2.338659      15.84961 
1 1 1 -17 -3  54 o 35.176  9.1418  177.979    78.742   197.919    89.782   111.526    163.899  36.702  9.8681  30.920  12.965  5.781839       16.29332 
1 1 1 -17 -3  55 o 25.559  8.4816  88.251     61.385   61.485     79.877   126.862    95.935   23.912  9.4006  29.956  10.583  -6.044308      14.15504 
1 1 1 -17 -3  56 o 35.858  7.9680  178.548    67.527   138.450    87.077   239.044    106.956  30.917  10.094  39.758  10.805  -8.840902      14.78637 
1 1 1 -17 -3  57 o 43.580  11.550  296.354    124.103  64.116     325.516  335.852    134.242  33.843  15.844  46.159  11.907  -12.31585      19.81948 
1 1 1 -17 -3  58 o 29.622  11.299  123.801    112.827  -296.6223  318.387  184.181    120.658  27.166  13.403  34.119  11.881  -6.953674      17.91141 
1 1 1 -17 -2  1  o 251.904 5.6007  7739.33    342.326  7364.13    484.329  8113.88    483.915  245.000 8.1472  257.306 7.7510  -12.30534      11.24521 
1 1 1 -17 -2  2  o 346.242 15.402  15125.63   1293.94  15125.63   1293.94  0.0000     0.0000   346.242 15.402  ?       ?       0.000000       15.40176 
1 1 1 -17 -2  3  o 268.419 12.645  8975.43    823.569  8975.43    823.569  0.0000     0.0000   268.419 12.645  ?       ?       0.000000       12.64511 
1 1 1 -17 -2  4  o 240.183 7.8767  7071.37    459.040  7097.53    676.711  7049.08    624.758  239.168 11.661  238.734 10.785  0.4337158      15.88403 
1 1 1 -17 -2  5  o 161.042 4.3639  3156.39    170.520  2955.46    240.669  3358.95    241.637  155.552 6.3765  165.894 6.0030  -10.34230      8.757604 
1 1 1 -17 -2  6  o 27.401  5.3572  94.667     34.342   105.755    50.415   85.068     46.908   28.840  7.2208  25.981  7.1947  2.859053       10.19331 
1 1 1 -17 -2  7  o 42.061  4.1270  217.294    41.576   225.704    60.516   209.775    57.218   42.590  6.0240  41.048  5.9155  1.541439       8.442899 
1 1 1 -17 -2  8  o 130.150 4.6948  2062.60    148.259  2121.79    178.566  1931.24    266.008  131.904 5.5793  125.059 8.8229  6.844925       10.43893 
1 1 1 -17 -2  9  o 384.636 11.783  18365.03   1099.73  20325.19   1533.04  16287.00   1578.47  401.080 15.753  356.149 18.328  44.93073       24.16749 
1 1 1 -17 -2  10 o 366.305 8.9089  16494.53   791.826  20143.38   1357.22  14611.68   974.947  401.008 13.949  343.135 11.710  57.87317       18.21230 
1 1 1 -17 -2  11 o 131.270 4.1085  2096.48    130.861  2561.83    190.966  1684.50    179.680  144.958 5.4294  117.273 6.3380  27.68523       8.345595 
1 1 1 -17 -2  12 o 40.589  5.1270  203.900    49.367   257.092    85.392   177.196    60.503   45.123  8.0968  37.488  6.9059  7.634975       10.64188 
1 1 1 -17 -2  13 o 33.769  5.8403  143.063    46.122   159.166    83.759   136.055    55.253   35.360  9.5416  32.722  7.1582  2.637436       11.92824 
1 1 1 -17 -2  14 o 148.264 5.8620  2682.21    210.884  0.0000     0.0000   2682.21    210.884  ?       ?       148.264 5.8620  0.000000       5.861995 
1 1 1 -17 -2  15 o 212.979 7.0797  5549.30    365.860  0.0000     0.0000   5549.30    365.860  ?       ?       212.979 7.0797  0.000000       7.079705 
1 1 1 -17 -2  16 o 269.228 8.4852  8900.16    554.300  0.0000     0.0000   8900.16    554.300  ?       ?       269.228 8.4852  0.000000       8.485176 
1 1 1 -17 -2  17 o 366.552 11.369  16656.47   1011.13  18718.42   1406.85  14453.31   1454.23  385.501 15.040  335.775 17.914  49.72586       23.39063 
1 1 1 -17 -2  18 o 232.732 7.6366  6636.27    431.243  6668.97    587.566  6598.09    634.922  232.323 10.423  230.701 11.342  1.622375       15.40434 
1 1 1 -17 -2  19 o 136.016 5.7161  2257.05    188.648  2271.79    249.022  2237.19    288.995  135.968 7.5782  134.602 8.8988  1.366180       11.68837 
1 1 1 -17 -2  20 o 155.539 4.2861  2944.38    161.760  3128.02    229.719  2763.76    227.818  160.087 5.9139  150.426 6.2417  9.661087       8.598463 
1 1 1 -17 -2  21 o 80.775  3.8395  793.610    75.252   725.704    106.246  861.970    106.599  76.910  5.7346  83.924  5.2614  -7.014313      7.782533 
1 1 1 -17 -2  22 o 134.790 4.1006  2210.83    134.111  2118.16    190.074  2302.69    189.253  131.717 5.9473  137.373 5.6778  -5.655930      8.222358 
1 1 1 -17 -2  23 o 81.969  3.9311  817.450    78.185   838.389    113.194  798.346    108.122  82.694  5.6757  80.704  5.5553  1.990295       7.941964 
1 1 1 -17 -2  24 f 85.945  3.9044  898.711    81.422   893.153    116.514  904.015    113.829  85.360  5.6575  85.906  5.4896  -0.5456772     7.883094 
1 1 1 -17 -2  25 o 186.321 6.8459  4250.36    309.499  4358.40    475.115  4170.72    407.924  187.253 10.499  183.914 9.1411  3.338501       13.92109 
1 1 1 -17 -2  26 o 143.504 5.9429  2516.49    206.932  3529.65    331.957  1872.56    264.643  169.440 8.0743  122.926 8.9337  46.51303       12.04176 
1 1 1 -17 -2  27 o 30.941  8.6000  121.497    66.892   -44.4005   147.146  164.711    75.100   26.219  11.627  35.849  8.7178  -9.630280      14.53198 
1 1 1 -17 -2  28 o 99.565  4.4350  1208.18    107.144  1164.27    135.602  1281.14    174.803  97.420  5.7622  101.924 7.1128  -4.503731      9.153974 
1 1 1 -17 -2  29 o 135.198 4.2016  2227.46    137.833  2311.32    196.980  2147.00    192.934  137.422 5.9075  132.428 6.0044  4.994171       8.423223 
1 1 1 -17 -2  30 o 75.080  4.1003  689.122    74.415   646.966    106.063  729.992    104.433  72.402  6.0941  77.029  5.6264  -4.627541      8.294269 
1 1 1 -17 -2  31 o 82.040  3.9701  820.619    79.029   792.515    113.415  847.143    110.184  80.181  5.8704  82.990  5.5030  -2.808884      8.046344 
1 1 1 -17 -2  32 o 102.409 3.9873  1279.58    99.078   1200.03    140.693  1357.84    139.550  98.674  5.9034  105.091 5.4918  -6.416519      8.062839 
1 1 1 -17 -2  33 o 87.153  3.9522  927.317    83.576   936.980    118.448  917.736    117.942  87.151  5.6314  86.238  5.6680  0.9126663      7.989950 
1 1 1 -17 -2  34 o 29.415  6.0678  110.514    41.870   92.177     58.486   129.791    59.968   27.031  8.2011  31.657  7.8465  -4.625734      11.35011 
1 1 1 -17 -2  35 o 47.854  4.6208  283.383    52.986   354.948    77.039   219.137    72.993   53.265  6.0691  41.303  7.5620  11.96173       9.696321 
1 1 1 -17 -2  36 o 9.5010  4.5831  -49.0468   31.677   -8.4122    43.211   -96.2518   46.573   14.620  6.3981  10.545  5.1880  4.074912       8.237211 
1 1 1 -17 -2  37 o 69.989  4.0694  602.481    68.809   595.163    98.956   609.331    95.744   69.026  5.9670  69.938  5.6914  -0.9117279     8.246016 
1 1 1 -17 -2  38 f 46.896  6.0626  277.761    67.370   224.902    80.156   404.954    124.339  41.434  8.2626  55.380  9.6012  -13.94510      12.66702 
1 1 1 -17 -2  39 o 43.367  6.5122  240.079    66.408   209.286    79.505   311.139    120.777  39.795  8.4925  47.829  10.677  -8.034592      13.64291 
1 1 1 -17 -2  40 o 45.039  4.7575  253.170    51.205   277.252    71.466   227.765    73.401   46.624  6.4934  41.841  7.5058  4.783970       9.924822 
1 1 1 -17 -2  41 o 44.127  5.4692  245.538    57.304   219.463    85.407   266.886    77.280   40.500  8.9310  45.421  7.2563  -4.920605      11.50729 
1 1 1 -17 -2  42 o 47.068  5.1609  278.031    57.974   232.482    88.944   311.677    76.444   41.613  9.0654  49.396  6.5388  -7.783123      11.17753 
1 1 1 -17 -2  43 o 41.768  5.8021  221.859    57.214   189.946    88.972   244.361    74.709   37.308  9.7281  43.304  7.3744  -5.996483      12.20728 
1 1 1 -17 -2  44 o 36.535  8.5737  179.582    74.698   338.523    182.462  147.580    81.874   47.391  14.508  32.983  9.6301  14.40794       17.41315 
1 1 1 -17 -2  45 o 55.311  7.0914  395.666    92.980   596.967    206.867  344.704    104.086  63.340  13.846  50.765  8.7671  12.57502       16.38860 
1 1 1 -17 -2  46 o 43.154  5.7082  237.744    58.304   282.941    85.540   198.528    79.680   46.176  7.9197  38.167  8.7858  8.009254       11.82846 
1 1 1 -17 -2  47 o 12.983  5.8970  -20.9779   40.445   -42.1942   66.752   -8.6712    50.840   16.045  7.3952  15.659  6.8942  0.3864441      10.11034 
1 1 1 -17 -2  48 o 11.559  5.4920  -48.4212   41.826   58.736     67.763   -114.3750  53.162   23.202  8.7786  10.969  5.4240  12.23330       10.31910 
1 1 1 -17 -2  49 o 51.507  5.1769  337.193    63.823   501.382    94.931   201.765    86.216   62.223  6.3778  37.751  9.4377  24.47186       11.39069 
1 1 1 -17 -2  50 o 17.456  7.4670  6.9241     56.225   76.233     71.589   -104.6425  90.828   24.871  9.0960  16.506  7.9106  8.364956       12.05465 
1 1 1 -17 -2  51 o 28.432  8.2985  112.387    60.807   141.405    78.169   67.923     96.765   31.425  9.4693  25.537  10.246  5.887970       13.95146 
1 1 1 -17 -2  52 o 58.622  5.5363  442.104    77.817   334.586    105.897  568.315    114.734  48.479  9.3413  65.156  7.3879  -16.67618      11.90969 
1 1 1 -17 -2  53 o 13.139  6.3038  -72.9340   58.027   -42.1628   63.212   -237.7776  146.306  15.313  7.1062  18.608  9.1626  -3.294716      11.59527 
1 1 1 -17 -2  54 o 18.340  7.8761  8.7170     62.996   48.132     69.128   -184.3580  152.998  22.029  8.7181  20.293  9.8572  1.735659       13.15943 
1 1 1 -17 -2  55 o 22.204  8.1078  59.370     56.847   103.047    71.308   -16.7913   94.162   27.342  9.1438  20.292  9.1278  7.050236       12.91993 
1 1 1 -17 -2  56 o 22.146  9.4064  28.145     88.082   -436.2495  286.767  76.523     92.557   24.506  12.198  25.762  10.122  -1.256065      15.85110 
1 1 1 -17 -2  57 o 28.345  11.371  99.225     119.159  25.001     236.876  124.371    137.874  30.175  13.916  30.467  12.228  -0.2924309     18.52461 
1 1 1 -17 -2  58 o 31.483  11.367  151.390    111.286  228.841    224.801  126.247    128.082  36.037  15.151  29.964  11.864  6.072241       19.24355 
1 1 1 -17 -1  1  o 118.054 8.9067  1722.70    253.252  1722.70    253.252  0.0000     0.0000   118.054 8.9067  ?       ?       0.000000       8.906740 
1 1 1 -17 -1  2  f 188.617 10.306  4405.30    469.903  4405.30    469.903  0.0000     0.0000   188.617 10.306  ?       ?       0.000000       10.30649 
1 1 1 -17 -1  3  o 153.382 6.1901  2872.46    230.377  2492.66    352.013  3157.00    304.690  141.733 10.306  160.495 7.8241  -18.76247      12.93981 
1 1 1 -17 -1  4  o 117.002 5.7611  1669.99    163.553  1431.37    251.024  1846.01    215.596  107.354 9.7430  122.602 7.2800  -15.24859      12.16238 
1 1 1 -17 -1  5  f 64.086  4.0860  501.658    63.205   512.557    82.372   486.053    98.562   64.634  5.2990  62.735  6.5725  1.898827       8.442570 
1 1 1 -17 -1  6  o 13.640  5.5583  8.3719     28.978   4.4711     40.012   12.675     42.025   15.302  6.4105  16.461  6.6990  -1.158758      9.272078 
1 1 1 -17 -1  7  o 125.021 3.9024  1901.10    118.381  1975.75    168.730  1828.72    166.133  127.298 5.4627  122.456 5.5913  4.842445       7.816881 
1 1 1 -17 -1  8  o 218.463 6.1535  5826.69    326.183  6008.72    395.514  5439.63    576.744  221.551 7.3574  209.200 11.405  12.35065       13.57233 
1 1 1 -17 -1  9  o 82.798  3.8012  833.713    76.367   993.830    112.920  698.754    103.670  90.159  5.1835  75.476  5.7029  14.68356       7.706626 
1 1 1 -17 -1  10 o 215.050 5.1308  5635.27    267.725  6228.50    381.011  5056.70    376.274  225.672 6.9582  203.174 7.6326  22.49887       10.32825 
1 1 1 -17 -1  11 o 125.480 3.9961  1915.31    121.668  2113.70    176.094  1734.10    168.301  131.661 5.5122  119.219 5.8180  12.44132       8.014577 
1 1 1 -17 -1  12 o 21.093  6.7991  52.853     39.577   58.172     72.514   50.596     47.232   24.635  9.1298  21.441  7.4357  3.194181       11.77469 
1 1 1 -17 -1  13 o 70.929  5.2184  616.398    89.179   0.0000     0.0000   616.398    89.179   ?       ?       70.929  5.2184  0.000000       5.218356 
1 1 1 -17 -1  14 o 117.269 5.4756  1676.76    155.803  0.0000     0.0000   1676.76    155.803  ?       ?       117.269 5.4756  0.000000       5.475559 
1 1 1 -17 -1  15 o 151.813 5.9730  2812.78    220.022  0.0000     0.0000   2812.78    220.022  ?       ?       151.813 5.9730  0.000000       5.973022 
1 1 1 -17 -1  16 o 176.828 6.5352  3820.70    280.396  3946.41    378.718  3668.18    417.142  179.219 8.7090  172.157 10.030  7.062225       13.28300 
1 1 1 -17 -1  17 o 108.277 5.4773  1433.17    143.436  1619.61    186.232  1161.29    224.890  114.914 6.7082  96.604  9.7266  18.31020       11.81550 
1 1 1 -17 -1  18 o 12.843  5.9678  -40.1764   44.805   -11.7639   53.425   -107.5386  82.262   16.282  7.1203  16.018  7.6364  0.2639847      10.44097 
1 1 1 -17 -1  19 o 56.688  5.7570  396.052    78.088   471.116    98.736   270.684    127.600  61.723  6.7002  45.837  11.494  15.88630       13.30416 
1 1 1 -17 -1  20 o 30.113  6.0441  114.621    42.627   210.806    62.335   30.132     58.422   41.047  6.4733  20.495  8.0453  20.55188       10.32616 
1 1 1 -17 -1  21 o 96.179  3.8380  1125.17    89.567   1113.19    126.400  1137.27    126.935  95.381  5.4847  96.416  5.4482  -1.035057      7.730800 
1 1 1 -17 -1  22 o 120.584 3.9649  1769.06    116.006  1709.23    164.657  1828.03    163.465  118.345 5.7341  122.417 5.5033  -4.072182      7.947701 
1 1 1 -17 -1  23 o 177.339 4.6823  3830.90    201.477  3870.22    287.006  3792.69    282.902  177.882 6.6496  176.098 6.6209  1.784546       9.383684 
1 1 1 -17 -1  24 o 107.744 3.9586  1412.60    103.491  1483.61    148.861  1346.18    143.978  110.116 5.5897  104.864 5.6797  5.252235       7.968976 
1 1 1 -17 -1  25 f 111.392 5.9189  1520.05    159.403  1260.04    264.278  1668.73    199.848  100.136 11.062  116.487 7.1046  -16.35020      13.14665 
1 1 1 -17 -1  26 o 74.351  6.0272  680.106    107.799  662.657    195.790  687.697    129.134  72.070  11.589  74.543  7.2304  -2.473038      13.65948 
1 1 1 -17 -1  27 o 86.615  5.8138  921.044    121.476  937.257    216.238  913.569    146.836  86.238  10.554  86.012  7.0992  0.2257156      12.71976 
1 1 1 -17 -1  28 o 200.613 4.9759  4911.69    242.211  5049.35    344.575  4777.24    340.537  202.818 7.0019  197.240 7.1155  5.578354       9.982803 
1 1 1 -17 -1  29 o 205.637 5.0843  5165.12    253.687  5563.96    361.369  4777.56    356.222  212.786 6.9991  197.009 7.4520  15.77737       10.22347 
1 1 1 -17 -1  30 o 194.628 4.8821  4627.81    230.554  4753.13    328.185  4505.69    323.962  196.573 6.8807  191.351 6.9775  5.222031       9.799432 
1 1 1 -17 -1  31 o 75.056  4.0148  689.031    72.851   664.506    105.480  711.399    100.738  73.340  5.9795  76.002  5.4998  -2.662460      8.124160 
1 1 1 -17 -1  32 o 134.831 4.2146  2220.24    137.883  2243.02    196.967  2198.35    193.083  135.059 6.0105  133.725 5.9507  1.333923       8.457932 
1 1 1 -17 -1  33 o 162.399 4.4672  3226.77    176.028  3360.12    251.161  3098.03    246.779  165.048 6.2716  158.418 6.4201  6.629959       8.975003 
1 1 1 -17 -1  34 o 72.979  4.0003  653.006    70.565   691.865    100.988  615.932    98.641   74.754  5.6086  70.453  5.8224  4.301033       8.084339 
1 1 1 -17 -1  35 o 64.071  4.0968  504.524    63.356   521.753    90.710   488.114    88.529   64.739  5.8374  62.584  5.8995  2.155106       8.299330 
1 1 1 -17 -1  36 o 61.414  4.2092  464.531    62.345   427.719    89.146   499.772    87.224   58.340  6.4028  63.316  5.7399  -4.976250      8.598948 
1 1 1 -17 -1  37 o 39.117  6.7688  196.212    61.921   194.550    73.246   200.375    115.921  38.564  8.0862  38.552  11.512  0.1198578E-01  14.06829 
1 1 1 -17 -1  38 o 44.118  6.3407  247.441    65.926   239.071    78.245   267.925    122.404  42.873  7.8093  44.172  11.357  -1.299244      13.78304 
1 1 1 -17 -1  39 o 41.408  6.4751  219.335    62.925   275.137    75.795   95.564     112.881  46.308  6.9609  29.832  11.320  16.47600       13.28883 
1 1 1 -17 -1  40 o 69.385  4.0818  593.996    68.417   550.594    97.376   636.310    96.147   66.097  6.1419  71.309  5.6020  -5.211655      8.312924 
1 1 1 -17 -1  41 o 30.748  7.0476  123.974    51.456   136.054    77.338   114.379    68.927   31.920  9.3709  29.478  8.8940  2.442457       12.91967 
1 1 1 -17 -1  42 o 89.697  4.2310  991.572    92.084   1039.82    133.178  947.372    127.462  90.923  6.0715  86.760  6.0934  4.163589       8.601918 
1 1 1 -17 -1  43 o 37.991  7.6331  190.279    67.922   245.659    181.270  181.234    73.259   41.456  14.556  36.802  8.3903  4.653854       16.80101 
1 1 1 -17 -1  44 o 41.982  8.2043  234.550    80.578   -15.0546   185.053  292.948    89.509   28.786  12.884  47.073  8.1306  -18.28693      15.23467 
1 1 1 -17 -1  45 o 40.298  8.4173  218.429    79.648   583.832    191.758  142.246    87.558   63.218  12.937  32.303  10.077  30.91531       16.39843 
1 1 1 -17 -1  46 o 39.708  5.8729  202.689    54.877   161.869    84.275   232.738    72.307   34.136  9.7116  41.984  7.3667  -7.847393      12.18948 
1 1 1 -17 -1  47 o 22.335  7.4544  62.742     47.393   31.111     76.931   82.090     60.165   21.791  8.9881  25.214  8.3983  -3.422514      12.30110 
1 1 1 -17 -1  48 o 24.751  7.5669  81.357     49.656   189.129    76.867   4.1698     65.051   36.949  8.7151  18.483  7.9711  18.46529       11.81065 
1 1 1 -17 -1  49 o 24.509  7.4006  80.270     47.710   37.323     74.985   109.481    61.842   21.877  8.9309  28.229  8.4037  -6.351635      12.26311 
1 1 1 -17 -1  50 o 55.871  5.5658  400.776    74.449   381.053    101.289  423.952    109.800  52.878  8.1569  55.649  8.3925  -2.771572      11.70336 
1 1 1 -17 -1  51 o 50.533  6.2108  333.813    74.551   336.674    101.189  330.416    110.254  49.068  8.8235  47.859  9.8235  1.208454       13.20438 
1 1 1 -17 -1  52 o 17.373  7.7445  -12.0823   66.153   -77.6696   72.921   292.856    157.234  15.111  7.2001  41.811  13.560  -26.69920      15.35277 
1 1 1 -17 -1  53 o 41.949  8.3555  245.233    82.059   188.763    92.481   454.270    177.932  35.683  10.181  52.089  13.842  -16.40638      17.18290 
1 1 1 -17 -1  54 o 14.225  6.5810  -35.4878   53.600   1.4011     63.698   -124.9612  99.202   17.928  7.8090  16.740  8.0836  1.187969       11.23944 
1 1 1 -17 -1  55 o 67.707  5.1510  584.571    83.989   440.635    110.138  784.590    129.834  56.633  8.2580  76.951  7.0313  -20.31822      10.84587 
1 1 1 -17 -1  56 o 20.167  9.2148  -31.8051   100.636  -242.3736  187.406  53.519     119.295  21.590  10.578  25.809  10.954  -4.218777      15.22778 
1 1 1 -17 -1  57 o 56.859  9.9514  473.855    132.292  520.435    259.321  457.468    153.813  49.069  17.392  53.616  12.109  -4.546394      21.19255 
1 1 1 -17 0   1  o 22.837  9.5002  15.250     86.997   15.250     86.997   0.0000     0.0000   22.837  9.5002  ?       ?       0.000000       9.500179 
1 1 1 -17 0   2  o 105.139 8.9488  1368.44    226.121  1368.44    226.121  0.0000     0.0000   105.139 8.9488  ?       ?       0.000000       8.948775 
1 1 1 -17 0   3  o 83.813  5.3215  859.643    107.658  1018.64    174.843  762.550    136.631  90.804  8.0180  78.613  7.2445  12.19061       10.80602 
1 1 1 -17 0   4  o 11.077  4.9991  -15.3703   28.518   -22.0235   39.767   -8.3264    40.919   13.026  5.8888  14.322  6.2480  -1.295693      8.585762 
1 1 1 -17 0   5  f 28.613  5.1821  102.829    34.654   70.763     51.008   130.316    47.226   24.255  7.7083  32.123  6.2840  -7.868425      9.945173 
1 1 1 -17 0   6  o 25.244  5.7408  80.822     34.369   110.174    50.718   55.899     46.736   29.429  7.1690  22.063  7.4024  7.365767       10.30485 
1 1 1 -17 0   7  o 34.851  7.3688  154.221    60.364   124.308    77.591   200.084    96.074   31.579  9.4159  39.527  10.007  -7.948038      13.74080 
1 1 1 -17 0   8  o 86.145  3.9109  902.609    81.747   1042.23    122.483  790.458    109.775  92.293  5.4943  80.307  5.6700  11.98652       7.895358 
1 1 1 -17 0   9  o 86.940  3.8616  919.287    81.461   1025.36    121.564  832.830    109.747  91.540  5.4985  82.463  5.5168  9.077568       7.789001 
1 1 1 -17 0   10 o 43.630  4.6831  234.427    48.802   219.061    78.427   244.135    62.342   41.578  8.0649  44.340  5.9441  -2.762367      10.01872 
1 1 1 -17 0   11 o 30.128  6.1690  114.828    43.578   155.025    71.646   91.224     54.902   34.851  8.5394  27.029  7.8842  7.822472       11.62253 
1 1 1 -17 0   12 o 22.677  7.5763  59.372     48.955   0.0000     0.0000   59.372     48.955   ?       ?       22.677  7.5763  0.000000       7.576254 
1 1 1 -17 0   13 o 17.632  6.9733  20.692     44.199   0.0000     0.0000   20.692     44.199   ?       ?       17.632  6.9733  0.000000       6.973275 
1 1 1 -17 0   14 o 61.579  6.9912  469.611    102.609  0.0000     0.0000   469.611    102.609  ?       ?       61.579  6.9912  0.000000       6.991241 
1 1 1 -17 0   15 o 90.953  4.4683  1006.96    98.609   1106.48    130.704  875.486    150.236  95.075  5.6919  84.243  7.4258  10.83203       9.356309 
1 1 1 -17 0   16 f 18.393  7.3090  21.644     48.770   15.988     58.666   34.296     87.745   19.275  7.8876  24.245  9.7462  -4.970312      12.53801 
1 1 1 -17 0   17 o 30.169  7.7597  115.754    57.126   90.132     69.515   169.043    100.254  27.586  9.0197  36.604  10.647  -9.017849      13.95430 
1 1 1 -17 0   18 o 30.020  7.8885  114.494    58.211   99.969     70.879   144.591    102.027  28.711  9.0826  34.408  10.898  -5.697392      14.18681 
1 1 1 -17 0   19 f 130.783 4.0146  2080.87    127.397  2321.06    181.081  1845.47    179.267  137.969 5.4091  122.952 6.0090  15.01697       8.084930 
1 1 1 -17 0   20 o ?       ?       -148.2432  26.529   -182.0656  40.157   -122.0499  35.339   ?       ?       7.6661  3.8759  0.000000       3.875947 
1 1 1 -17 0   21 o 71.128  3.9216  617.324    67.420   575.201    96.648   657.251    94.096   68.398  5.8808  73.227  5.3325  -4.829102      7.938434 
1 1 1 -17 0   22 o 74.808  3.8704  682.591    70.012   604.446    101.062  754.701    97.082   70.104  5.9991  78.519  5.1237  -8.415398      7.889365 
1 1 1 -17 0   23 o 81.068  3.9479  799.661    77.658   859.258    111.529  743.572    108.196  83.740  5.5199  77.835  5.7700  5.904678       7.985116 
1 1 1 -17 0   24 o 111.519 5.7797  1522.59    155.856  1746.28    259.053  1395.70    195.120  118.701 9.0629  106.398 7.6082  12.30286       11.83301 
1 1 1 -17 0   25 o 76.155  5.8624  712.631    107.494  923.600    196.626  622.700    128.377  85.948  9.5920  70.839  7.5868  15.10954       12.22977 
1 1 1 -17 0   26 o 13.105  6.1028  -43.6457   47.262   -262.0732  129.013  -9.7880    50.794   17.641  8.6704  15.965  6.9632  1.675739       11.12037 
1 1 1 -17 0   27 o 82.451  3.9551  827.731    79.125   877.063    114.674  782.902    109.317  84.535  5.6228  79.838  5.6801  4.696999       7.992439 
1 1 1 -17 0   28 f 32.987  6.2796  137.650    48.427   183.739    69.708   94.658     67.325   37.952  7.8296  27.876  8.8555  10.07584       11.82041 
1 1 1 -17 0   29 o ?       ?       -151.4896  26.157   -99.0578   34.832   -219.2988  39.612   8.2012  4.1080  ?       ?       0.000000       4.108023 
1 1 1 -17 0   30 o 183.958 4.8435  4135.55    216.192  4181.15    307.576  4091.01    303.941  184.290 6.8784  182.296 6.8714  1.994644       9.722598 
1 1 1 -17 0   31 o 47.097  4.6401  273.707    52.336   345.415    75.941   208.840    72.228   52.688  6.0500  40.446  7.6397  12.24111       9.745107 
1 1 1 -17 0   32 o 32.178  5.8554  131.146    44.033   198.974    63.286   67.496     61.305   39.598  6.8337  24.398  8.4707  15.19959       10.88362 
1 1 1 -17 0   33 o 67.646  3.9953  561.072    65.288   484.749    94.185   631.669    90.582   62.351  6.3124  71.527  5.2561  -9.175404      8.214214 
1 1 1 -17 0   34 o 20.409  6.7446  49.517     38.832   27.164     58.466   67.162     51.944   20.013  7.9869  23.631  7.8003  -3.617838      11.16400 
1 1 1 -17 0   35 f 33.765  5.8615  144.833    46.280   195.992    66.369   96.411     64.568   39.032  7.2755  27.638  8.6586  11.39425       11.30946 
1 1 1 -17 0   36 o 94.637  3.9454  1097.22    90.597   1111.73    129.592  1083.34    126.705  94.615  5.6710  93.416  5.6161  1.199242       7.981291 
1 1 1 -17 0   37 o 57.786  5.7177  417.983    79.117   430.115    95.343   391.158    141.779  58.236  6.8803  53.665  11.248  4.571217       13.18545 
1 1 1 -17 0   38 o 59.918  5.6719  449.676    81.480   464.696    98.232   416.555    145.872  60.511  6.8088  55.243  11.264  5.267616       13.16233 
1 1 1 -17 0   39 o 14.753  6.1813  5.8749     37.212   -48.5353   52.858   59.340     52.397   13.689  6.4011  22.531  7.8306  -8.841384      10.11395 
1 1 1 -17 0   40 o 19.215  7.1549  37.155     44.639   54.480     73.325   26.954     56.267   23.721  9.0940  19.525  7.8201  4.196697       11.99396 
1 1 1 -17 0   41 o 41.518  5.7145  218.681    56.042   143.511    83.634   279.939    75.499   32.710  9.7809  46.654  6.8756  -13.94377      11.95574 
1 1 1 -17 0   42 o 80.077  4.4211  794.005    85.569   891.469    126.756  712.403    115.984  84.032  6.2617  74.989  6.4368  9.042908       8.980006 
1 1 1 -17 0   43 o 12.491  5.9244  -55.2936   48.265   -103.0503  156.628  -50.2830   50.733   23.744  11.075  13.182  6.1980  10.56167       12.69100 
1 1 1 -17 0   44 o 27.610  8.8912  99.411     67.693   200.632    176.388  81.928     73.307   38.280  14.229  26.046  9.2455  12.23416       16.96875 
1 1 1 -17 0   45 o 16.031  6.8340  3.6233     46.807   57.213     78.397   -26.0616   58.348   24.092  9.3581  15.731  7.1205  8.361078       11.75903 
1 1 1 -17 0   46 o 12.476  5.8060  -35.3263   42.668   -13.3149   68.344   -49.3847   54.619   17.874  7.9250  13.816  6.4751  4.057690       10.23387 
1 1 1 -17 0   47 o 21.020  7.4601  52.172     47.726   102.894    75.130   17.856     61.796   27.857  9.3852  19.126  7.9857  8.731277       12.32292 
1 1 1 -17 0   48 o 23.578  7.9574  71.169     54.009   0.5484     79.315   132.227    73.750   19.893  8.6881  30.784  9.1801  -10.89072      12.63957 
1 1 1 -17 0   49 o 67.193  5.0422  572.044    81.606   561.957    109.341  584.727    122.614  65.338  7.0062  66.062  7.7998  -0.7237015     10.48449 
1 1 1 -17 0   50 o 26.757  8.5702  98.050     62.959   131.720    82.988   52.393     96.637   30.406  9.8501  24.492  10.085  5.913982       14.09685 
1 1 1 -17 0   51 o 22.161  8.2110  57.818     58.646   24.819     74.758   110.620    94.565   20.759  8.7328  28.579  10.454  -7.820328      13.62150 
1 1 1 -17 0   52 o 19.646  8.3832  15.217     70.553   37.454     81.571   -50.8233   140.571  22.233  9.2199  22.970  10.637  -0.7362347     14.07690 
1 1 1 -17 0   53 o 64.977  6.6323  555.549    103.099  533.365    118.718  623.611    207.947  62.587  8.0006  60.959  14.305  1.628147       16.39029 
1 1 1 -17 0   54 o 93.470  4.7646  1103.78    107.701  1062.35    145.560  1153.89    160.099  89.960  6.7170  93.337  7.1230  -3.377258      9.790539 
1 1 1 -17 0   55 o 21.275  8.0514  50.570     57.010   78.448     69.658   -5.9817    99.213   24.780  8.9862  21.265  9.4815  3.515026       13.06333 
1 1 1 -17 0   56 o 45.549  11.352  321.780    125.010  88.615     245.724  403.201    145.205  32.255  14.605  50.513  12.021  -18.25852      18.91571 
1 1 1 -17 0   57 o 36.109  11.883  211.594    120.585  434.737    233.109  130.069    140.901  45.514  16.449  30.500  12.319  15.01432       20.55035 
1 1 1 -17 1   1  o 187.370 10.100  4343.90    457.478  4343.90    457.478  0.0000     0.0000   187.370 10.100  ?       ?       0.000000       10.09978 
1 1 1 -17 1   2  o 159.198 5.2243  3088.76    201.804  2912.50    367.110  3165.08    241.579  153.383 9.9171  161.007 6.1837  -7.623779      11.68708 
1 1 1 -17 1   3  o 112.441 3.8537  1537.66    105.140  1592.72    149.473  1483.73    147.921  114.302 5.3894  110.169 5.5515  4.133812       7.737223 
1 1 1 -17 1   4  o 65.551  4.0519  524.709    64.130   489.330    103.335  546.872    81.786   62.895  6.8836  66.804  5.0837  -3.909386      8.557337 
1 1 1 -17 1   5  o 23.716  5.9376  71.321     34.090   58.644     51.229   81.396     45.670   22.771  7.7495  25.439  7.1185  -2.668505      10.52273 
1 1 1 -17 1   6  f 131.999 4.9872  2122.62    159.731  2176.91    192.018  2000.66    287.806  133.564 5.9250  127.153 9.3950  6.410606       11.10728 
1 1 1 -17 1   7  o 219.725 5.2082  5883.72    277.674  6288.21    394.103  5484.98    391.293  226.698 7.1647  211.607 7.6209  15.09109       10.46001 
1 1 1 -17 1   8  o 82.502  3.9333  827.898    78.739   1002.49    119.749  694.921    104.507  90.512  5.4783  75.258  5.7670  15.25452       7.954252 
1 1 1 -17 1   9  o 222.165 5.2992  6016.08    285.660  6562.31    405.407  5477.45    402.577  231.572 7.2151  211.400 7.8484  20.17200       10.66090 
1 1 1 -17 1   10 o 124.005 4.0598  1870.71    122.155  1997.48    177.005  1755.43    168.794  127.968 5.7006  119.953 5.7994  8.015305       8.132026 
1 1 1 -17 1   11 f 22.722  7.5861  59.651     49.082   0.0000     0.0000   59.651     49.082   ?       ?       22.722  7.5861  0.000000       7.586117 
1 1 1 -17 1   12 o 70.710  5.3351  612.885    90.862   0.0000     0.0000   612.885    90.862   ?       ?       70.710  5.3351  0.000000       5.335143 
1 1 1 -17 1   13 o 109.272 5.4386  1455.76    144.198  0.0000     0.0000   1455.76    144.198  ?       ?       109.272 5.4386  0.000000       5.438609 
1 1 1 -17 1   14 o 156.651 4.4768  2987.13    170.164  3254.80    244.701  2736.47    236.791  163.273 6.1767  149.654 6.5210  13.61850       8.981918 
1 1 1 -17 1   15 o 180.685 6.7098  3990.71    294.168  4211.74    397.746  3723.82    437.061  185.106 8.8556  173.320 10.441  11.78676       13.69114 
1 1 1 -17 1   16 o 111.464 5.4432  1514.86    147.216  1590.69    189.866  1400.55    233.118  113.844 6.9061  106.325 9.1245  7.519020       11.44333 
1 1 1 -17 1   17 o 15.063  6.6615  -15.5861   47.985   20.618     57.181   -101.7875  88.233   19.470  7.8533  17.072  8.0715  2.397911       11.26161 
1 1 1 -17 1   18 o 76.614  3.9018  715.810    72.292   596.805    102.989  831.399    101.501  69.644  6.1581  82.443  5.0991  -12.79866      7.995131 
1 1 1 -17 1   19 o 36.014  5.2766  161.426    44.742   190.906    62.985   131.399    63.569   38.938  6.9201  32.112  8.1460  6.826603       10.68851 
1 1 1 -17 1   20 o 96.343  3.8576  1129.06    90.178   1197.11    127.832  1061.64    127.233  98.943  5.3445  93.113  5.6583  5.829628       7.783307 
1 1 1 -17 1   21 o 126.844 4.1333  1958.00    127.213  1879.43    178.718  2038.69    181.117  124.071 5.9365  129.243 5.7755  -5.171577      8.282454 
1 1 1 -17 1   22 f 175.860 4.6969  3767.37    200.422  3623.64    283.407  3911.16    283.473  172.093 6.7871  178.846 6.5323  -6.752823      9.419974 
1 1 1 -17 1   23 o 103.027 4.0470  1291.79    101.168  1218.85    141.504  1368.06    144.696  99.734  5.8733  105.719 5.6614  -5.984436      8.157601 
1 1 1 -17 1   24 o 120.222 6.1507  1771.19    178.819  1563.12    284.306  1907.38    230.012  111.795 10.608  124.436 7.6551  -12.64058      13.08164 
1 1 1 -17 1   25 o 78.332  6.0921  754.611    114.879  631.503    200.741  814.562    140.085  70.127  12.243  81.195  7.1847  -11.06748      14.19532 
1 1 1 -17 1   26 o 87.448  5.7894  938.695    122.147  838.889    216.300  985.426    148.005  81.308  11.267  89.399  6.8758  -8.091446      13.19895 
1 1 1 -17 1   27 o 200.299 4.9844  4896.42    242.244  5132.75    344.561  4665.43    340.642  204.506 6.9438  194.889 7.2036  9.617050       10.00539 
1 1 1 -17 1   28 o 205.801 5.0682  5173.15    253.082  5287.93    359.726  5060.65    356.126  207.383 7.1488  202.845 7.2356  4.538589       10.17152 
1 1 1 -17 1   29 o 186.999 4.7742  4270.83    216.622  4373.24    308.427  4171.13    304.316  188.606 6.7396  184.171 6.8099  4.435364       9.581028 
1 1 1 -17 1   30 f 73.441  4.0327  659.832    71.586   599.572    104.013  714.062    98.673   69.586  6.2261  76.170  5.3733  -6.584122      8.224174 
1 1 1 -17 1   31 o 139.476 4.2388  2376.05    143.451  2415.61    203.961  2337.33    201.797  140.162 5.9973  137.861 6.0327  2.300400       8.506478 
1 1 1 -17 1   32 o 159.859 4.4794  3126.79    173.749  3270.36    247.753  2987.84    243.732  162.828 6.2709  155.558 6.4573  7.269196       9.001176 
1 1 1 -17 1   33 o 72.336  3.9980  641.584    69.900   583.967    100.349  695.888    97.422   68.513  6.1002  75.030  5.3872  -6.516846      8.138414 
1 1 1 -17 1   34 o 69.387  4.0816  591.326    68.416   679.088    99.852   513.669    93.928   73.992  5.6033  64.155  6.1077  9.837059       8.288633 
1 1 1 -17 1   35 o 58.484  4.2444  421.580    59.821   429.598    85.783   413.990    83.463   58.553  6.1287  57.484  6.0760  1.069447       8.630139 
1 1 1 -17 1   36 o 46.736  6.2648  276.284    69.256   298.084    82.656   224.920    126.875  48.247  7.2877  40.637  12.023  7.609791       14.05944 
1 1 1 -17 1   37 o 30.443  7.7075  121.631    56.989   136.386    66.518   80.918     110.497  32.131  8.4275  28.746  11.125  3.385633       13.95699 
1 1 1 -17 1   38 o 44.809  6.3964  255.811    67.570   235.182    80.024   307.052    126.121  42.356  8.0813  47.238  11.178  -4.882160      13.79308 
1 1 1 -17 1   39 o 71.573  4.1151  632.089    71.163   593.217    100.926  670.524    100.356  68.632  6.1249  73.173  5.6973  -4.540497      8.364978 
1 1 1 -17 1   40 o 18.290  7.0444  29.629     44.134   -92.3881   77.922   87.258     53.551   15.629  7.4456  25.962  7.8410  -10.33271      10.81284 
1 1 1 -17 1   41 o 83.768  4.3433  867.759    87.978   885.377    127.807  851.892    121.288  83.735  6.3374  82.236  6.1223  1.499390       8.811663 
1 1 1 -17 1   42 f 29.209  8.5227  113.228    64.145   177.071    172.677  103.008    69.089   37.160  14.025  28.140  8.9740  9.019510       16.65000 
1 1 1 -17 1   43 f 37.118  9.7412  189.402    88.839   283.423    182.288  160.115    101.739  43.589  14.619  34.215  10.888  9.373955       18.22819 
1 1 1 -17 1   44 o 64.736  7.6535  546.242    117.893  598.953    219.558  524.888    139.747  62.460  14.727  62.295  9.5499  0.1651077      17.55231 
1 1 1 -17 1   45 o 37.400  7.1567  184.854    62.579   164.666    84.243   209.710    93.475   34.422  9.6809  38.702  9.9109  -4.279419      13.85443 
1 1 1 -17 1   46 o 17.747  7.4897  10.467     55.275   29.838     77.822   -9.2560    78.525   21.787  9.0177  19.348  8.5408  2.438305       12.42030 
1 1 1 -17 1   47 o 32.817  7.6048  145.969    59.371   108.667    81.207   188.802    87.021   28.512  9.7567  36.488  9.6725  -7.976213      13.73864 
1 1 1 -17 1   48 o 41.722  6.5403  228.906    64.034   255.248    87.241   198.139    94.284   42.943  8.6713  36.965  10.186  5.978638       13.37693 
1 1 1 -17 1   49 o 47.139  6.4099  291.421    71.414   202.545    95.531   404.003    107.518  37.142  10.260  54.267  8.4398  -17.12518      13.28553 
1 1 1 -17 1   50 o 50.531  5.9321  331.770    71.349   402.683    93.532   233.072    110.345  54.921  7.1915  39.159  11.103  15.76190       13.22847 
1 1 1 -17 1   51 o 23.342  8.8250  63.622     68.449   52.795     79.455   94.787     134.800  23.191  9.2913  28.983  11.919  -5.792383      15.11294 
1 1 1 -17 1   52 o 30.959  9.5764  138.213    79.266   109.259    91.891   222.400    156.689  28.353  10.315  37.000  13.468  -8.646921      16.96454 
1 1 1 -17 1   53 o 22.606  8.2798  61.740     59.349   83.915     73.069   18.748     101.743  25.491  9.2097  22.805  9.9016  2.685379       13.52254 
1 1 1 -17 1   54 o 72.370  5.1189  667.133    89.309   559.990    116.544  819.560    139.007  64.479  7.5948  78.299  7.4047  -13.81944      10.60709 
1 1 1 -17 1   55 o 21.310  9.5599  -10.3745   102.529  37.343     205.020  -26.2882   118.397  29.472  13.343  22.005  10.031  7.467916       16.69321 
1 1 1 -17 1   56 o 60.730  10.199  544.027    144.960  228.339    273.725  667.075    170.892  36.636  16.067  66.445  10.983  -29.80912      19.46200 
1 1 1 -17 2   1  o 284.293 7.2857  9892.58    502.575  9433.01    883.843  10112.18   610.962  274.829 13.254  286.861 8.7776  -12.03198      15.89705 
1 1 1 -17 2   2  o 225.051 5.1244  6171.59    279.828  6582.87    395.475  5759.21    395.998  231.984 7.0258  216.855 7.5259  15.12852       10.29570 
1 1 1 -17 2   3  o 151.367 4.2344  2787.99    155.522  2805.01    220.606  2771.18    219.282  151.601 5.9972  150.684 5.9975  0.9168701      8.481584 
1 1 1 -17 2   4  o 27.767  5.4531  97.245     35.429   86.313     52.224   106.567    48.224   26.308  7.6940  28.948  6.9529  -2.639828      10.37018 
1 1 1 -17 2   5  o 50.620  5.5453  316.148    66.996   288.928    82.393   369.261    115.094  48.059  7.2949  54.091  9.0918  -6.032337      11.65661 
1 1 1 -17 2   6  o 137.351 4.1586  2295.36    138.594  2599.79    198.686  2006.84    193.423  146.004 5.6084  128.202 6.2180  17.80280       8.373624 
1 1 1 -17 2   7  o 375.510 7.8971  17285.11   719.533  18699.35   1017.85  15872.45   1017.29  388.839 10.788  357.628 11.723  31.21082       15.93180 
1 1 1 -17 2   8  o 368.686 7.7720  16657.30   695.267  17898.03   983.343  15417.01   983.169  380.507 10.651  352.614 11.491  27.89331       15.66794 
1 1 1 -17 2   9  o 131.926 4.1368  2117.55    132.421  2334.51    190.807  1915.96    183.926  138.345 5.6842  125.286 6.0503  13.05872       8.301553 
1 1 1 -17 2   10 o 37.571  6.0418  176.565    53.212   241.562    114.132  158.512    60.150   43.361  10.869  35.357  7.2544  8.004101       13.06741 
1 1 1 -17 2   11 o 25.733  7.7112  81.947     51.943   0.0000     0.0000   81.947     51.943   ?       ?       25.733  7.7112  0.000000       7.711244 
1 1 1 -17 2   12 o 151.383 6.0113  2797.09    220.806  0.0000     0.0000   2797.09    220.806  ?       ?       151.383 6.0113  0.000000       6.011305 
1 1 1 -17 2   13 o 222.423 6.0099  6038.26    324.346  7194.41    584.977  5525.06    389.740  241.511 9.9825  212.389 7.5627  29.12216       12.52377 
1 1 1 -17 2   14 o 285.712 9.2468  10045.82   641.036  11101.84   881.665  8861.50    933.693  298.814 12.160  265.220 14.565  33.59448       18.97361 
1 1 1 -17 2   15 o 345.020 10.341  14702.59   865.719  14397.82   1196.23  15037.77   1254.47  338.485 14.565  345.597 14.960  -7.112396      20.87910 
1 1 1 -17 2   16 o 239.569 7.7805  7034.53    452.275  6879.40    614.041  7218.49    668.671  235.833 10.731  241.267 11.422  -5.434845      15.67213 
1 1 1 -17 2   17 o 140.343 5.8368  2403.49    198.758  2356.75    260.094  2469.11    308.151  138.449 7.7738  141.400 9.0286  -2.950806      11.91423 
1 1 1 -17 2   18 o 163.314 4.3333  3246.31    171.715  3545.00    243.305  2949.89    242.381  170.428 5.8836  155.377 6.4291  15.05180       8.714928 
1 1 1 -17 2   19 o 77.761  3.8461  735.512    72.568   614.533    102.688  856.203    102.565  70.691  6.0449  83.667  5.0762  -12.97587      7.893554 
1 1 1 -17 2   20 o 134.869 4.1023  2213.43    134.248  2316.52    190.805  2112.37    188.920  137.780 5.7074  131.540 5.9191  6.240021       8.222530 
1 1 1 -17 2   21 o 79.982  4.1676  780.667    80.601   744.951    111.938  819.123    116.152  77.882  5.9688  81.700  5.8989  -3.817879      8.391883 
1 1 1 -17 2   22 o 86.191  4.0443  904.061    84.580   943.711    117.423  861.307    121.933  87.771  5.5421  83.757  6.0403  4.013702       8.197544 
1 1 1 -17 2   23 o 188.189 7.0273  4338.13    320.882  4250.49    488.072  4404.85    425.856  184.723 10.938  188.955 9.2884  -4.231979      14.34967 
1 1 1 -17 2   24 o 130.351 5.9564  2076.42    188.394  2722.76    300.109  1656.07    242.022  148.522 8.3617  115.631 8.6897  32.89045       12.05940 
1 1 1 -17 2   25 o 44.122  8.7994  248.308    90.902   355.855    157.501  194.589    111.313  52.263  12.573  39.036  11.180  13.22685       16.82511 
1 1 1 -17 2   26 o 99.097  4.1276  1196.11    99.247   1133.58    139.217  1260.74    141.525  96.078  6.0019  101.386 5.7769  -5.308159      8.330357 
1 1 1 -17 2   27 o 138.103 4.2923  2324.65    143.833  2167.33    202.508  2484.80    204.325  132.997 6.2753  142.485 5.9100  -9.487503      8.620197 
1 1 1 -17 2   28 o 79.499  4.2098  772.688    80.917   694.260    113.103  854.919    115.812  74.982  6.2743  83.365  5.7607  -8.383789      8.517779 
1 1 1 -17 2   29 o 80.579  4.2042  794.247    81.915   857.912    112.789  723.181    119.165  83.498  5.5995  76.438  6.4863  7.060097       8.568920 
1 1 1 -17 2   30 o 101.861 4.0978  1266.33    101.281  1207.45    141.076  1328.95    145.491  98.980  5.9009  103.885 5.7950  -4.904884      8.270608 
1 1 1 -17 2   31 o 92.055  4.0836  1035.00    91.212   965.864    126.376  1110.17    131.779  88.411  5.9254  94.860  5.7525  -6.449287      8.258381 
1 1 1 -17 2   32 o 34.502  6.3526  151.484    51.221   131.550    69.115   175.774    76.292   31.859  8.6970  36.730  8.6951  -4.870731      12.29806 
1 1 1 -17 2   33 o 49.682  4.8183  305.751    57.353   288.880    77.559   326.107    85.196   47.765  6.8915  50.737  7.1161  -2.972542      9.906149 
1 1 1 -17 2   34 o 10.013  4.8444  -58.0844   36.033   -8.3916    43.967   -159.7385  62.884   14.757  6.4562  11.397  5.6797  3.359909       8.598918 
1 1 1 -17 2   35 o 71.962  4.2338  637.523    73.600   686.847    102.261  584.511    106.014  74.269  5.7186  68.225  6.4820  6.044365       8.643950 
1 1 1 -17 2   36 o 41.926  6.6922  224.788    65.789   234.230    78.026   201.566    122.366  42.436  7.8675  38.598  11.892  3.837585       14.25865 
1 1 1 -17 2   37 f 40.421  7.0448  210.883    66.583   187.175    79.683   265.739    121.206  37.481  8.8952  43.927  11.305  -6.445717      14.38529 
1 1 1 -17 2   38 o 45.462  5.1988  259.264    56.316   265.742    73.848   250.261    87.059   45.486  6.9084  43.512  8.5508  1.973557       10.99284 
1 1 1 -17 2   39 o 48.775  5.6083  299.790    65.165   335.927    92.200   263.719    92.115   50.880  7.7098  44.523  8.8385  6.356403       11.72861 
1 1 1 -17 2   40 f 49.128  5.6615  304.594    66.253   316.285    92.307   292.171    95.150   49.174  8.0123  46.943  8.6731  2.230251       11.80756 
1 1 1 -17 2   41 o 36.921  7.0891  178.024    61.199   214.903    85.013   138.357    88.169   39.945  8.9885  32.174  10.124  7.770454       13.53861 
1 1 1 -17 2   42 o 23.604  9.6775  36.876     88.523   -87.0531   168.265  84.303     104.092  25.201  11.659  28.155  10.825  -2.953609      15.90993 
1 1 1 -17 2   43 o 52.227  8.5763  363.138    104.909  327.396    201.382  376.450    122.903  45.993  15.366  52.388  10.034  -6.395226      18.35219 
1 1 1 -17 2   44 o 38.706  6.8788  196.206    62.237   173.006    85.870   221.880    90.332   35.314  9.7164  40.099  9.4406  -4.785412      13.54744 
1 1 1 -17 2   45 f 13.692  6.3703  -41.1249   51.313   -20.5908   70.184   -64.7066   75.212   17.684  7.9231  16.183  7.5887  1.501055       10.97105 
1 1 1 -17 2   46 o 20.309  7.8361  40.178     54.687   101.204    74.665   -30.4473   80.323   27.663  9.3560  18.379  8.3334  9.284525       12.52913 
1 1 1 -17 2   47 o 43.114  6.7318  244.731    68.121   277.351    93.930   208.538    98.942   44.697  8.9726  37.883  10.432  6.814041       13.76023 
1 1 1 -17 2   48 o 10.766  5.3318  -113.9215  52.085   -131.6684  65.558   -83.5465   85.767   12.326  6.0817  16.626  7.8890  -4.300017      9.961098 
1 1 1 -17 2   49 o 20.767  8.0441  44.032     57.802   132.517    73.623   -98.1497   93.325   30.543  9.1868  16.951  8.0957  13.59138       12.24488 
1 1 1 -17 2   50 o 52.971  5.8246  363.810    73.626   360.400    97.257   368.388    112.685  51.274  8.0852  50.795  9.4918  0.4789352      12.46854 
1 1 1 -17 2   51 o 32.707  9.1813  154.014    75.847   184.374    88.425   69.487     147.546  35.397  9.9054  28.249  12.090  7.147438       15.62988 
1 1 1 -17 2   52 o 22.092  8.8430  46.287     71.900   25.478     84.652   100.171    136.219  21.703  9.2199  29.328  12.012  -7.624949      15.14278 
1 1 1 -17 2   53 o 30.695  8.4962  132.928    65.429   143.668    83.807   116.163    104.703  31.473  9.8653  29.280  10.947  2.193834       14.73634 
1 1 1 -17 2   54 o 22.362  8.3293  59.011     60.505   87.504     77.802   15.408     96.245   25.957  9.4841  22.099  9.6127  3.858004       13.50376 
1 1 1 -17 2   55 o 26.380  11.012  67.770     117.476  -180.3217  239.364  146.488    134.832  25.691  12.444  31.719  12.286  -6.027693      17.48675 
1 1 1 -17 2   56 o 28.784  11.309  112.982    115.520  232.779    225.507  70.360     134.510  36.163  15.188  27.077  11.565  9.086475       19.08977 
1 1 1 -17 3   1  o 135.632 4.1642  2238.29    137.044  2288.14    192.397  2186.96    195.253  136.948 5.7900  133.857 6.0116  3.091064       8.346487 
1 1 1 -17 3   2  o 70.265  3.7847  602.156    64.289   634.044    94.162   574.310    87.989   71.913  5.4366  68.435  5.3413  3.478142       7.621375 
1 1 1 -17 3   3  o 121.150 3.9453  1785.29    115.976  1929.71    165.865  1647.14    162.227  125.808 5.4335  116.198 5.7539  9.610443       7.913905 
1 1 1 -17 3   4  f 252.563 6.8294  7799.15    418.522  7731.41    505.297  7947.17    746.922  251.002 8.2967  252.827 12.176  -1.824341      14.73361 
1 1 1 -17 3   5  f 165.799 4.4587  3346.10    179.372  3426.77    254.197  3266.10    253.148  167.517 6.2538  163.521 6.3802  3.995880       8.934059 
1 1 1 -17 3   6  f 210.809 5.1400  5415.34    262.914  5993.40    373.184  4845.67    370.465  221.372 6.9476  198.875 7.6772  22.49751       10.35416 
1 1 1 -17 3   7  o 29.261  6.1759  108.452    42.471   119.894    72.715   102.527    52.323   30.955  9.0862  28.428  7.4832  2.526825       11.77107 
1 1 1 -17 3   8  o 213.536 5.1167  5556.17    265.111  5929.41    376.338  5188.49    373.523  220.162 7.0448  205.840 7.4787  14.32198       10.27425 
1 1 1 -17 3   9  o 161.196 4.4254  3162.75    173.088  3402.75    247.133  2931.67    242.499  166.955 6.1005  154.911 6.4516  12.04378       8.879134 
1 1 1 -17 3   10 o 228.299 7.4932  6382.74    415.085  0.0000     0.0000   6382.74    415.085  ?       ?       228.299 7.4932  0.000000       7.493222 
1 1 1 -17 3   11 o 109.147 5.3786  1452.31    142.445  0.0000     0.0000   1452.31    142.445  ?       ?       109.147 5.3786  0.000000       5.378624 
1 1 1 -17 3   12 o 74.205  5.4181  674.859    96.879   0.0000     0.0000   674.859    96.879   ?       ?       74.205  5.4181  0.000000       5.418059 
1 1 1 -17 3   13 o 140.741 5.3060  2414.51    181.196  2588.50    217.948  2025.09    326.062  145.603 6.1691  127.573 10.630  18.02963       12.29073 
1 1 1 -17 3   14 o 51.207  5.9947  324.351    73.075   285.358    89.533   402.155    126.471  47.606  8.0371  56.390  9.5864  -8.783710      12.50976 
1 1 1 -17 3   15 o 79.683  5.4652  777.815    105.028  871.356    131.941  616.019    173.525  84.199  6.5087  69.858  10.567  14.34081       12.41092 
1 1 1 -17 3   16 o 18.458  7.6046  12.617     54.992   -40.7181   66.834   124.417    96.764   16.645  7.5682  32.366  10.644  -15.72078      13.06073 
1 1 1 -17 3   17 o 121.242 3.9623  1788.23    116.563  2009.11    165.261  1569.55    164.432  128.374 5.3055  113.232 6.0063  15.14214       8.014002 
1 1 1 -17 3   18 o 48.587  4.5217  289.886    52.695   278.489    75.541   300.687    73.543   47.251  6.7834  49.220  6.3027  -1.968857      9.259520 
1 1 1 -17 3   19 o 16.861  6.5613  21.395     38.593   44.408     55.944   0.4998     53.308   21.614  8.0174  17.192  7.3102  4.422592       10.84973 
1 1 1 -17 3   20 o 227.661 5.4111  6321.53    298.906  5920.58    422.644  6722.75    422.790  219.655 7.9300  234.222 7.4393  -14.56699      10.87325 
1 1 1 -17 3   21 o 175.751 4.6752  3762.72    199.371  3638.91    281.705  3886.96    282.203  172.458 6.7320  178.285 6.5235  -5.826797      9.374246 
1 1 1 -17 3   22 o 96.889  6.0835  1151.48    142.293  1336.19    229.379  1035.93    181.419  103.709 9.2112  91.444  8.2658  12.26517       12.37619 
1 1 1 -17 3   23 o 207.937 7.5555  5306.12    381.206  4668.44    572.833  5813.00    510.713  192.880 12.304  216.839 9.7068  -23.95958      15.67201 
1 1 1 -17 3   24 o 70.501  6.6741  614.009    112.811  582.386    190.990  630.953    139.804  67.294  12.144  71.146  8.2517  -3.852440      14.68203 
1 1 1 -17 3   25 o 49.375  8.1459  307.768    94.187   333.267    163.206  295.035    115.331  50.500  13.179  47.878  10.238  2.621510       16.68835 
1 1 1 -17 3   26 o 83.993  4.1657  859.534    84.897   753.879    117.155  976.368    123.197  78.217  6.2245  89.173  5.7241  -10.95558      8.456294 
1 1 1 -17 3   27 o 51.948  4.8651  332.309    60.608   291.843    83.560   377.231    88.041   48.163  7.3859  55.032  6.7339  -6.869030      9.994823 
1 1 1 -17 3   28 o 180.378 4.7733  3974.41    208.914  4024.39    296.693  3925.26    294.219  180.889 6.7598  178.637 6.7879  2.251923       9.579674 
1 1 1 -17 3   29 o 211.038 5.0486  5450.06    258.522  5557.40    366.811  5344.13    364.413  212.204 7.1240  208.045 7.2189  4.158951       10.14222 
1 1 1 -17 3   30 o 142.304 4.3688  2474.82    150.850  2393.27    213.377  2556.30    213.293  139.389 6.3089  144.130 6.0990  -4.740768      8.774965 
1 1 1 -17 3   31 o 133.798 4.3339  2189.63    140.699  2060.84    197.740  2321.70    200.240  129.219 6.3067  137.260 6.0123  -8.040985      8.713371 
1 1 1 -17 3   32 o 95.649  4.1157  1119.15    95.520   1059.69    133.698  1181.15    136.516  92.464  5.9914  97.708  5.7840  -5.243797      8.327750 
1 1 1 -17 3   33 o 66.044  4.4614  537.317    71.075   607.702    96.807   455.010    104.684  69.916  5.7576  59.950  7.3506  9.966156       9.337064 
1 1 1 -17 3   34 o 49.366  4.9902  303.059    58.953   370.276    80.665   225.998    86.370   54.273  6.2389  41.465  8.8539  12.80863       10.83123 
1 1 1 -17 3   35 o 42.397  6.5669  229.152    65.371   224.279    79.236   239.538    115.679  41.432  8.1721  41.953  11.167  -0.5211716     13.83765 
1 1 1 -17 3   36 o 51.947  5.9608  339.894    73.772   355.231    89.931   308.340    128.993  52.684  7.2255  47.374  11.367  5.309692       13.46914 
1 1 1 -17 3   37 o 24.981  7.8115  79.325     52.580   37.446     62.402   181.851    97.637   21.206  8.3178  36.620  10.465  -15.41370      13.36824 
1 1 1 -17 3   38 o 57.570  4.9643  413.138    68.668   437.805    99.947   391.084    94.503   58.449  7.1995  55.187  7.2314  3.261978       10.20420 
1 1 1 -17 3   39 o 59.548  5.0697  442.669    72.554   414.272    101.453  472.395    103.800  56.629  7.5732  60.699  7.1874  -4.069889      10.44083 
1 1 1 -17 3   40 o 17.791  7.4892  9.0495     55.041   -57.4250   79.448   70.399     76.324   17.255  7.9931  25.302  9.3687  -8.046436      12.31508 
1 1 1 -17 3   41 o 43.723  9.2702  258.466    95.296   704.956    186.740  101.250    110.811  71.622  11.105  29.805  11.238  41.81659       15.79934 
1 1 1 -17 3   42 o 62.378  7.7015  506.255    114.091  251.984    214.766  606.225    134.664  41.831  15.671  67.949  8.3430  -26.11831      17.75313 
1 1 1 -17 3   43 o 36.947  10.089  190.235    92.992   484.644    187.647  94.394     107.064  56.704  13.775  28.860  11.007  27.84438       17.63205 
1 1 1 -17 3   44 o 59.320  5.2399  443.852    74.645   424.575    103.517  464.733    107.737  56.784  7.7127  59.485  7.6410  -2.701077      10.85679 
1 1 1 -17 3   45 o 55.240  5.3964  387.310    71.407   301.510    98.691   481.581    103.448  46.874  9.0044  60.692  7.1626  -13.81802      11.50577 
1 1 1 -17 3   46 o 23.180  8.1569  66.198     56.941   77.635     77.087   52.464     84.471   25.451  9.4171  23.894  9.5776  1.556967       13.43177 
1 1 1 -17 3   47 o 39.457  7.0214  207.637    64.759   154.987    87.073   272.806    96.874   32.876  10.014  43.972  9.3664  -11.09650      13.71154 
1 1 1 -17 3   48 o 61.880  5.3186  488.914    79.082   483.605    105.424  495.744    119.587  60.211  7.3698  60.177  8.4208  0.3444672E-01  11.19035 
1 1 1 -17 3   49 o 22.727  8.3605  62.061     60.606   29.506     77.829   112.214    96.601   21.382  8.9478  28.780  10.560  -7.398113      13.84111 
1 1 1 -17 3   50 o 30.696  9.4968  135.561    77.949   146.236    88.512   98.673     164.538  31.641  10.165  30.331  12.868  1.309402       16.39837 
1 1 1 -17 3   51 o 30.198  9.4270  130.704    76.613   157.258    86.795   37.023     163.026  32.731  10.004  27.632  12.246  5.098742       15.81293 
1 1 1 -17 3   52 o 18.788  7.7870  21.957     58.141   -29.8633   73.528   108.421    94.978   17.324  7.9004  28.386  10.462  -11.06233      13.11027 
1 1 1 -17 3   53 o 47.849  6.1155  299.681    69.378   280.452    90.872   326.551    107.421  44.687  8.6937  47.601  9.6312  -2.914597      12.97463 
1 1 1 -17 3   54 o 38.158  10.838  222.595    105.040  114.337    239.511  248.376    116.880  33.001  14.722  39.856  11.469  -6.855106      18.66165 
1 1 1 -17 3   55 o 44.265  10.275  294.921    108.233  66.498     263.569  341.253    118.703  31.763  14.659  47.449  10.580  -15.68612      18.07805 
1 1 1 -17 4   1  o 117.790 3.8990  1687.58    111.437  1787.84    157.793  1587.82    157.398  121.100 5.3701  114.092 5.6857  7.008362       7.820776 
1 1 1 -17 4   2  o 246.403 5.6017  7404.74    334.909  7928.28    472.607  6876.64    474.664  254.386 7.6567  236.724 8.2638  17.66161       11.26569 
1 1 1 -17 4   3  o 204.291 5.9383  5093.25    294.358  5224.39    353.558  4797.02    531.393  206.655 7.0510  196.492 11.192  10.16251       13.22790 
1 1 1 -17 4   4  o 82.176  4.0629  821.530    81.012   924.705    120.534  736.523    109.408  86.876  5.7506  77.475  5.8635  9.400993       8.212731 
1 1 1 -17 4   5  o 101.354 4.4895  1250.50    110.409  1374.87    187.513  1184.50    136.599  105.726 7.3552  98.372  5.7478  7.354218       9.334718 
1 1 1 -17 4   6  o 149.316 4.3031  2713.30    155.903  2852.66    221.218  2575.79    219.749  152.885 5.9634  145.236 6.2357  7.648941       8.628221 
1 1 1 -17 4   7  o 155.968 4.3989  2960.84    166.473  3092.25    236.690  2832.20    234.188  159.149 6.1293  152.277 6.3382  6.871964       8.817094 
1 1 1 -17 4   8  o 98.248  3.9938  1174.21    95.209   1217.43    137.548  1134.45    131.919  99.741  5.7072  96.275  5.6722  3.465652       8.046504 
1 1 1 -17 4   9  o 80.730  5.3452  797.921    104.112  0.0000     0.0000   797.921    104.112  ?       ?       80.730  5.3452  0.000000       5.345186 
1 1 1 -17 4   10 o 177.530 6.4753  3850.63    278.931  0.0000     0.0000   3850.63    278.931  ?       ?       177.530 6.4753  0.000000       6.475302 
1 1 1 -17 4   11 o 232.561 7.6999  6627.16    434.494  0.0000     0.0000   6627.16    434.494  ?       ?       232.561 7.6999  0.000000       7.699862 
1 1 1 -17 4   12 f 118.690 4.0975  1713.94    118.005  1789.37    171.124  1645.55    162.943  121.099 5.8238  116.135 5.7824  4.963760       8.206869 
1 1 1 -17 4   13 o 49.904  6.1065  308.507    72.400   334.084    88.970   258.367    124.570  51.749  7.2874  44.806  11.423  6.943161       13.54994 
1 1 1 -17 4   14 f 153.436 6.0226  2873.88    224.223  2646.78    294.101  3189.12    346.501  146.618 8.3010  160.808 8.9153  -14.18994      12.18153 
1 1 1 -17 4   15 o 142.644 5.8945  2483.30    204.016  2411.32    266.368  2585.44    317.318  140.023 7.8720  144.686 9.0848  -4.663940      12.02087 
1 1 1 -17 4   16 o 130.002 4.1420  2056.49    130.654  1749.85    184.330  2366.08    185.219  119.509 6.3798  139.290 5.4803  -19.78051      8.410408 
1 1 1 -17 4   17 f 152.255 4.2823  2821.45    158.202  2851.77    223.734  2791.14    223.730  152.829 6.0334  151.185 6.0989  1.643677       8.578959 
1 1 1 -17 4   18 f 46.844  4.4734  269.583    50.228   260.213    71.860   278.534    70.234   45.660  6.6841  47.346  6.2678  -1.685493      9.163061 
1 1 1 -17 4   19 o 140.306 4.2986  2396.31    146.342  2183.84    206.073  2612.46    207.856  133.676 6.3533  146.288 5.8559  -12.61118      8.640368 
1 1 1 -17 4   20 o 45.972  5.2024  260.947    57.010   246.366    76.060   279.642    86.125   44.271  7.3376  47.140  7.8026  -2.868618      10.71075 
1 1 1 -17 4   21 o 247.321 5.7884  7468.71    347.364  7279.59    491.544  7657.37    490.951  243.338 8.3251  249.658 8.1045  -6.320068      11.61853 
1 1 1 -17 4   22 o 232.969 8.0246  6669.42    453.613  6144.43    676.728  7097.77    611.267  221.200 12.661  239.237 10.530  -18.03694      16.46784 
1 1 1 -17 4   23 o 44.117  8.8462  248.232    91.399   203.888    159.792  269.796    111.427  41.091  13.687  45.780  10.282  -4.689812      17.11878 
1 1 1 -17 4   24 o 121.613 6.1947  1814.19    182.189  1769.18    289.954  1843.56    234.195  119.002 10.138  122.168 7.9437  -3.165855      12.87987 
1 1 1 -17 4   25 o 45.992  5.4007  261.884    59.122   222.317    79.019   312.203    89.110   41.799  8.0835  49.837  7.6104  -8.037891      11.10224 
1 1 1 -17 4   26 o 76.195  4.2077  709.730    77.491   797.381    107.615  615.341    111.675  80.563  5.5388  70.519  6.6034  10.04350       8.618798 
1 1 1 -17 4   27 o 243.379 5.7614  7255.39    340.233  6857.38    482.115  7650.26    480.214  235.326 8.4434  248.843 7.9533  -13.51697      11.59937 
1 1 1 -17 4   28 o 196.693 5.0063  4732.19    238.928  4605.01    338.806  4858.02    336.993  193.181 7.2280  198.523 6.9959  -5.341583      10.05922 
1 1 1 -17 4   29 o 57.428  4.6413  405.865    64.121   397.089    85.737   417.005    96.594   56.447  6.3713  57.697  7.0461  -1.250164      9.499579 
1 1 1 -17 4   30 o 113.642 4.1810  1578.23    115.287  1575.28    161.842  1581.27    164.265  112.975 5.9247  113.164 6.0038  -0.1893539     8.434905 
1 1 1 -17 4   31 o 124.627 4.2039  1900.01    127.122  1831.17    178.862  1970.28    180.709  121.810 6.0516  126.408 5.8917  -4.597824      8.445945 
1 1 1 -17 4   32 o 119.274 4.2054  1742.09    121.706  1602.61    170.993  1885.30    173.267  113.614 6.2264  123.572 5.7787  -9.958054      8.494829 
1 1 1 -17 4   33 o 74.367  4.2564  680.273    76.486   646.023    105.503  718.218    111.046  71.945  6.1011  75.890  6.0816  -3.945137      8.614493 
1 1 1 -17 4   34 o 89.074  4.2352  973.819    91.535   924.683    127.027  1026.89    132.018  86.057  6.1233  90.748  6.0299  -4.690453      8.593871 
1 1 1 -17 4   35 o 49.109  6.5021  306.085    75.573   365.341    91.503   178.931    134.039  53.459  7.2406  36.946  12.535  16.51256       14.47628 
1 1 1 -17 4   36 o 43.609  6.8851  244.226    70.436   240.386    84.714   252.824    126.773  42.700  8.4755  42.674  11.831  0.2548981E-01  14.55396 
1 1 1 -17 4   37 o 15.602  6.4464  10.235     39.667   48.937     49.963   -55.7562   65.242   21.115  7.6176  15.336  7.1510  5.778850       10.44817 
1 1 1 -17 4   38 o 53.602  5.5788  361.344    71.495   338.829    97.261   387.812    105.454  50.898  8.1504  54.483  8.2338  -3.585030      11.58556 
1 1 1 -17 4   39 o 17.044  7.4016  -4.2445    56.874   -46.0558   74.966   52.454     87.298   17.185  7.8895  24.706  9.7909  -7.520746      12.57403 
1 1 1 -17 4   40 o 18.647  7.7425  15.447     57.628   -34.5919   76.759   80.086     87.241   17.976  8.1491  26.832  10.0000 -8.855783      12.90010 
1 1 1 -17 4   41 o 51.203  8.9660  350.794    107.335  188.916    199.440  416.798    127.351  38.359  14.919  55.428  9.8290  -17.06913      17.86548 
1 1 1 -17 4   42 o 43.717  9.5752  262.209    98.759   33.394     195.298  340.823    114.474  31.020  13.588  49.870  9.8098  -18.84987      16.75912 
1 1 1 -17 4   43 o 32.908  7.8647  145.770    61.943   161.085    84.036   127.551    91.659   34.089  9.6978  30.854  10.366  3.234671       14.19546 
1 1 1 -17 4   44 o 62.983  5.0982  499.820    77.244   537.974    108.413  460.480    110.085  64.300  7.0653  58.956  7.8937  5.344006       10.59381 
1 1 1 -17 4   45 o 58.760  5.3898  438.605    75.989   435.873    107.715  441.312    107.218  57.106  7.9928  57.533  7.8881  -0.4272308     11.22972 
1 1 1 -17 4   46 f 20.144  7.9413  36.808     57.151   45.250     76.442   26.109     86.058   22.629  9.0967  22.134  9.3436  0.4948788      13.04040 
1 1 1 -17 4   47 o 39.399  7.5538  210.492    69.585   213.772    89.691   205.533    110.286  38.560  9.6184  36.949  11.273  1.610645       14.81883 
1 1 1 -17 4   48 o 27.409  8.3982  104.039    61.126   178.896    78.667   -10.0240   97.106   35.359  9.1121  20.946  9.3568  14.41227       13.06067 
1 1 1 -17 4   49 o 20.705  8.0409  43.905     57.872   128.796    76.034   -73.0039   89.228   30.014  9.3948  17.321  8.1670  12.69304       12.44840 
1 1 1 -17 4   50 o 22.449  8.9121  50.394     72.446   19.901     81.721   162.312    156.561  21.060  9.0054  33.311  13.140  -12.25011      15.92980 
1 1 1 -17 4   51 o 53.866  7.7849  394.601    98.797   424.131    115.335  313.203    191.484  54.966  8.9561  41.885  14.935  13.08101       17.41416 
1 1 1 -17 4   52 o 22.169  8.2831  57.249     59.926   -13.2942   81.723   139.299    88.137   19.144  8.5655  30.988  10.157  -11.84367      13.28676 
1 1 1 -17 4   53 o 66.795  5.1350  569.775    82.587   647.520    113.421  482.036    120.492  69.988  6.7632  58.772  8.7132  11.21597       11.03001 
1 1 1 -17 4   54 o 34.650  11.123  185.884    106.003  471.395    256.228  126.927    116.435  46.976  17.204  30.011  11.470  16.96571       20.67730 
1 1 1 -17 4   55 o 23.613  10.226  33.384     107.982  -493.2324  243.162  162.745    120.518  21.084  10.600  32.228  11.800  -11.14377      15.86183 
1 1 1 -17 5   1  o 103.046 3.7228  1291.27    93.082   1351.81    131.406  1230.30    131.871  105.322 5.1420  100.306 5.4386  5.016823       7.484531 
1 1 1 -17 5   2  o 66.277  4.8992  537.969    78.228   550.938    93.207   507.060    143.886  66.952  5.7946  63.466  9.6474  3.485916       11.25384 
1 1 1 -17 5   3  o 168.614 4.5011  3461.03    184.153  3972.10    262.155  2963.18    258.741  180.398 5.9891  155.668 6.8502  24.73033       9.099161 
1 1 1 -17 5   4  o 126.563 4.1033  1948.85    126.009  2193.85    182.531  1725.79    174.171  134.118 5.6090  118.748 6.0651  15.36925       8.261106 
1 1 1 -17 5   5  o 155.548 4.4071  2944.98    166.335  3233.01    235.774  2659.58    234.697  162.755 5.9703  147.526 6.5565  15.22842       8.867527 
1 1 1 -17 5   6  o 312.737 6.6045  11953.12   501.167  12103.42   707.992  11802.18   709.523  313.569 9.3053  309.574 9.4458  3.994690       13.25940 
1 1 1 -17 5   7  o 157.673 4.4098  3026.03    168.709  3173.88    239.383  2880.12    237.807  161.235 6.1189  153.549 6.3828  7.685349       8.841991 
1 1 1 -17 5   8  f 118.570 5.6855  1714.94    163.571  0.0000     0.0000   1714.94    163.571  ?       ?       118.570 5.6855  0.000000       5.685483 
1 1 1 -17 5   9  f 164.806 6.2346  3316.87    249.315  0.0000     0.0000   3316.87    249.315  ?       ?       164.806 6.2346  0.000000       6.234637 
1 1 1 -17 5   10 o 61.773  5.9031  469.857    87.403   0.0000     0.0000   469.857    87.403   ?       ?       61.773  5.9031  0.000000       5.903135 
1 1 1 -17 5   11 o 108.760 4.0512  1439.07    106.911  1515.44    153.789  1367.65    148.727  111.312 5.7133  105.713 5.8207  5.599060       8.156108 
1 1 1 -17 5   12 o 192.609 6.8327  4536.66    319.324  4572.00    427.618  4492.11    480.110  192.757 9.1429  190.393 10.432  2.363831       13.87178 
1 1 1 -17 5   13 o 181.253 6.6406  4015.86    292.050  4115.75    389.199  3887.12    441.832  182.985 8.7658  177.100 10.327  5.884598       13.54551 
1 1 1 -17 5   14 f 43.841  6.7404  240.346    69.406   323.443    84.544   68.577     121.552  50.950  7.0256  29.770  11.628  21.17997       13.58542 
1 1 1 -17 5   15 o 114.247 10.766  1628.85    294.912  1174.19    446.718  1980.08    392.633  93.523  20.271  125.270 13.112  -31.74722      24.14159 
1 1 1 -17 5   16 o 31.910  5.9019  128.202    44.014   111.038    63.568   144.007    61.000   29.690  8.4303  33.622  7.6496  -3.931824      11.38364 
1 1 1 -17 5   17 o 31.290  5.9639  123.469    43.627   27.582     62.391   215.209    61.026   20.761  8.2615  41.520  6.2514  -20.75946      10.36009 
1 1 1 -17 5   18 o 188.434 4.8817  4326.46    223.198  4154.09    315.047  4500.17    316.257  184.210 7.0485  191.790 6.7959  -7.580368      9.791129 
1 1 1 -17 5   19 o 203.016 5.0999  5024.55    251.221  4721.45    354.281  5331.09    356.288  196.265 7.4395  208.663 7.0371  -12.39853      10.24041 
1 1 1 -17 5   20 o 89.721  4.1189  979.796    89.669   986.531    125.715  972.822    127.938  89.702  5.8071  89.049  5.9555  0.6527710      8.318073 
1 1 1 -17 5   21 f 151.729 6.3323  2815.28    233.128  2897.29    363.289  2757.87    303.972  152.767 9.8533  149.495 8.4142  3.272537       12.95708 
1 1 1 -17 5   22 o 140.616 6.0870  2417.38    207.684  3259.67    329.743  1863.55    267.383  162.520 8.3905  122.578 9.0540  39.94257       12.34407 
1 1 1 -17 5   23 o 144.896 6.4074  2570.13    225.269  2391.88    352.038  2693.73    293.144  138.347 10.567  147.697 8.2123  -9.349869      13.38296 
1 1 1 -17 5   24 o 83.797  4.1358  855.336    84.091   782.578    117.533  931.637    120.362  79.735  6.1217  87.111  5.7264  -7.375725      8.382547 
1 1 1 -17 5   25 o 139.456 4.2940  2370.54    145.300  2304.00    204.113  2438.90    206.884  137.150 6.1335  141.128 6.0416  -3.977783      8.609350 
1 1 1 -17 5   26 o 144.081 4.3757  2532.12    152.974  2289.94    216.224  2774.81    216.452  136.570 6.5251  150.491 5.9277  -13.92091      8.815589 
1 1 1 -17 5   27 o ?       ?       -137.5240  33.703   -122.1136  40.588   -171.7491  60.487   8.6586  4.3504  10.786  5.4042  -2.126926      6.937661 
1 1 1 -17 5   28 o 62.412  4.4557  478.290    67.033   428.969    91.256   536.088    98.788   58.674  6.5201  65.728  6.2704  -7.053291      9.045979 
1 1 1 -17 5   29 o 75.450  4.2665  697.869    77.787   695.643    107.051  700.359    113.222  74.968  5.9335  75.138  6.2674  -0.1697388     8.630588 
1 1 1 -17 5   30 o 103.723 4.1300  1315.34    103.940  1245.77    146.728  1385.41    147.260  100.326 6.0559  105.918 5.7515  -5.592468      8.351871 
1 1 1 -17 5   31 f 34.256  6.2158  149.418    49.763   150.327    66.312   148.246    75.292   33.975  8.1488  33.675  9.0295  0.3004036      12.16289 
1 1 1 -17 5   32 o 23.136  7.2603  66.504     45.376   14.707     59.586   138.008    70.010   19.051  7.8886  32.465  8.7077  -13.41384      11.74963 
1 1 1 -17 5   33 o 89.121  4.2414  974.555    91.718   950.479    128.063  999.911    131.419  87.299  6.0838  89.550  6.0843  -2.250877      8.604170 
1 1 1 -17 5   34 o 48.160  6.3712  293.851    72.623   307.522    86.880   262.142    132.311  48.881  7.5698  43.578  12.089  5.303345       14.26343 
1 1 1 -17 5   35 o 64.928  5.7673  528.011    89.913   577.556    109.290  424.239    158.168  67.545  6.7591  55.292  12.123  12.25325       13.88033 
1 1 1 -17 5   36 o 90.588  5.6571  1024.80    123.724  1054.75    154.160  970.581    207.393  91.216  7.0191  85.494  10.199  5.722420       12.38088 
1 1 1 -17 5   37 o 93.204  4.5174  1072.08    102.162  991.240    141.928  1159.00    147.173  88.526  6.6561  95.926  6.3591  -7.400002      9.205536 
1 1 1 -17 5   38 o 34.999  7.7179  161.828    63.780   184.477    85.440   133.324    95.851   36.881  9.4919  31.919  10.599  4.962212       14.22781 
1 1 1 -17 5   39 o 68.635  5.1345  588.299    84.889   463.460    116.814  728.006    123.574  59.490  8.3203  75.610  6.8087  -16.12051      10.75108 
1 1 1 -17 5   40 o 30.858  10.146  125.497    87.910   48.769     177.353  150.489    101.219  30.839  13.229  33.403  10.882  -2.563694      17.12934 
1 1 1 -17 5   41 o 28.155  10.006  97.909     85.894   -85.7814   176.498  154.913    98.322   25.763  11.927  33.646  10.703  -7.882519      16.02515 
1 1 1 -17 5   42 o 23.713  8.2814  68.167     58.637   113.299    81.268   19.157     84.689   29.308  9.7606  21.896  9.2574  7.411896       13.45248 
1 1 1 -17 5   43 o 48.530  5.9048  301.595    68.097   361.264    95.353   239.483    97.285   52.250  7.7567  41.342  9.8402  10.90809       12.52979 
1 1 1 -17 5   44 o 35.381  7.4525  168.117    61.958   137.868    85.916   200.894    89.435   31.483  10.004  37.712  9.7143  -6.228952      13.94440 
1 1 1 -17 5   45 o 15.158  6.8421  -20.9779   53.445   -31.0576   74.137   -10.0723   77.115   17.511  7.9655  19.021  8.4266  -1.509216      11.59548 
1 1 1 -17 5   46 o 32.959  8.1669  150.487    64.979   92.134     89.918   214.266    94.007   27.143  10.145  38.455  9.9861  -11.31230      14.23550 
1 1 1 -17 5   47 o 25.120  8.3834  84.204     59.940   93.685     80.979   72.716     89.145   26.771  9.6918  25.428  9.9506  1.343264       13.89048 
1 1 1 -17 5   48 o 41.940  6.6426  233.936    65.345   209.648    90.688   260.163    94.238   37.842  9.7993  42.558  9.3788  -4.716805      13.56419 
1 1 1 -17 5   49 f 25.719  9.6235  83.262     80.948   131.388    93.181   -64.7737   163.427  30.237  10.446  24.130  11.274  6.107365       15.36963 
1 1 1 -17 5   50 f 19.379  8.3232  11.910     70.364   9.2622     78.912   22.182     155.446  20.114  8.7266  26.596  11.863  -6.481918      14.72664 
1 1 1 -17 5   51 o 68.605  5.1097  599.907    84.449   485.755    115.864  729.275    123.344  59.472  8.2515  74.234  6.9278  -14.76261      10.77417 
1 1 1 -17 5   52 o 72.699  5.1239  673.978    89.806   611.533    125.345  739.845    128.734  67.111  7.8456  74.464  7.2155  -7.353363      10.65909 
1 1 1 -17 5   53 o 33.258  10.713  167.318    98.278   183.520    251.380  164.395    106.777  35.327  15.447  32.886  11.188  2.441029       19.07303 
1 1 1 -17 5   54 o 24.179  10.023  54.932     96.337   -198.6311  244.245  101.647    104.837  25.306  12.329  27.739  10.809  -2.432755      16.39605 
1 1 1 -17 6   1  o 86.966  3.8395  919.877    81.020   972.023    116.732  871.407    112.543  89.124  5.4238  84.353  5.5292  4.771126       7.745332 
1 1 1 -17 6   2  o 49.863  4.2982  304.811    51.495   260.928    79.793   336.133    67.412   45.582  7.4737  52.233  5.3968  -6.651073      9.218550 
1 1 1 -17 6   3  o 148.165 4.9049  2674.23    176.337  3258.81    295.002  2349.23    219.957  163.125 7.4532  138.651 6.5381  24.47395       9.914470 
1 1 1 -17 6   4  o 39.434  5.0587  192.550    47.288   179.705    78.855   199.764    59.092   37.501  8.8148  39.967  6.3022  -2.466057      10.83598 
1 1 1 -17 6   5  o 92.418  3.9163  1038.92    87.821   1196.07    129.270  904.224    119.678  98.900  5.4074  85.898  5.7757  13.00233       7.911896 
1 1 1 -17 6   6  o 86.883  3.8995  918.167    82.207   1067.90    121.433  791.483    111.695  93.438  5.3788  80.340  5.7681  13.09829       7.886878 
1 1 1 -17 6   7  o 42.611  5.9553  225.834    59.890   344.284    117.782  184.528    69.553   52.057  9.6810  38.126  7.7818  13.93071       12.42087 
1 1 1 -17 6   8  o 150.253 6.1240  2756.45    223.267  0.0000     0.0000   2756.45    223.267  ?       ?       150.253 6.1240  0.000000       6.124022 
1 1 1 -17 6   9  o 42.453  7.2813  226.697    72.303   0.0000     0.0000   226.697    72.303   ?       ?       42.453  7.2813  0.000000       7.281292 
1 1 1 -17 6   10 o 90.628  4.1434  999.393    91.113   1104.60    134.493  910.151    123.868  94.961  5.8657  86.150  5.9623  8.811348       8.363974 
1 1 1 -17 6   11 o 75.098  6.6605  694.712    120.106  705.338    149.963  675.703    200.582  75.355  8.3417  72.919  11.735  2.436058       14.39753 
1 1 1 -17 6   12 o 85.713  5.7955  900.502    119.825  739.709    142.072  1296.74    223.024  77.324  7.6737  102.274 9.0816  -24.95055      11.88958 
1 1 1 -17 6   13 o 275.643 8.5973  9336.31    575.008  8835.73    782.566  9923.69    847.704  266.496 12.102  282.266 12.377  -15.76993      17.31065 
1 1 1 -17 6   14 o 161.176 4.3831  3162.27    171.413  2932.30    241.992  3393.85    242.840  154.904 6.4383  166.729 6.0027  -11.82452      8.802527 
1 1 1 -17 6   15 o 119.329 3.9420  1732.30    114.136  1854.87    161.497  1609.99    161.328  123.331 5.3967  114.710 5.8153  8.621056       7.933595 
1 1 1 -17 6   16 o 143.731 4.2209  2514.35    147.204  2562.40    207.758  2465.92    208.601  144.876 5.9101  142.101 6.0500  2.774704       8.457664 
1 1 1 -17 6   17 o 135.145 4.1262  2222.74    135.307  2249.39    191.329  2196.07    191.376  135.746 5.8088  134.117 5.8808  1.628937       8.265985 
1 1 1 -17 6   18 o 150.132 4.4510  2744.65    162.140  2695.52    230.093  2793.12    228.517  148.492 6.3861  151.185 6.2294  -2.692291      8.921197 
1 1 1 -17 6   19 o 116.164 4.1062  1642.41    115.739  1650.93    163.009  1633.75    164.358  116.281 5.7775  115.514 5.8835  0.7667160      8.245878 
1 1 1 -17 6   20 o 15.146  7.2428  -102.6014  75.191   14.514     131.959  -158.9074  91.497   27.499  11.587  15.633  7.6005  11.86635       13.85754 
1 1 1 -17 6   21 o 126.984 6.1537  1971.66    189.603  1893.90    298.775  2024.09    245.334  123.265 10.078  128.096 7.9323  -4.830688      12.82495 
1 1 1 -17 6   22 o 17.993  8.0918  -35.2393   73.956   -102.3135  132.919  -5.1634    89.006   22.505  10.395  21.738  9.3493  0.7667446      13.98056 
1 1 1 -17 6   23 o 181.106 4.8176  4000.78    211.701  3832.00    298.926  4170.62    299.858  176.725 6.9711  184.446 6.7001  -7.721863      9.668908 
1 1 1 -17 6   24 o 202.859 5.0840  5025.04    250.242  4822.50    353.666  5228.11    354.126  198.029 7.3604  206.294 7.0747  -8.265472      10.20914 
1 1 1 -17 6   25 o 112.483 4.0843  1542.08    111.474  1515.48    155.960  1569.87    159.393  111.102 5.8055  113.078 5.8292  -1.975632      8.226952 
1 1 1 -17 6   26 o 176.660 4.5710  3810.68    195.935  3874.55    277.370  3747.06    276.819  177.576 6.4374  174.597 6.5343  2.979507       9.172607 
1 1 1 -17 6   27 o 91.920  4.1057  1031.08    91.573   959.882    127.547  1106.82    131.554  88.204  5.9952  94.805  5.7460  -6.600769      8.304100 
1 1 1 -17 6   28 o 36.103  6.0353  164.531    51.004   203.166    68.161   115.374    76.886   39.917  7.3067  30.327  9.4398  9.589670       11.93729 
1 1 1 -17 6   29 o 37.795  5.8145  179.780    51.613   178.872    68.301   180.988    78.806   37.241  7.8081  37.269  8.8469  -0.2774811E-01 11.79976 
1 1 1 -17 6   30 o 15.147  6.4356  1.5853     41.255   37.568     52.067   -59.1110   67.623   20.269  7.6887  15.680  7.3010  4.589173       10.60282 
1 1 1 -17 6   31 o 33.846  6.3650  146.460    50.353   122.287    65.886   180.406    78.076   30.662  8.5395  37.065  8.8107  -6.403194      12.27000 
1 1 1 -17 6   32 o 42.917  5.3684  230.762    54.681   230.870    72.419   230.620    83.400   42.386  7.3052  42.001  8.4758  0.3853378      11.18949 
1 1 1 -17 6   33 o 94.075  5.6742  1100.85    128.916  1193.09    159.928  929.721    217.841  97.432  6.8076  83.639  11.001  13.79317       12.93703 
1 1 1 -17 6   34 o 38.015  7.2915  187.642    64.810   167.268    76.359   240.132    122.563  35.444  8.8933  41.740  11.655  -6.295887      14.66054 
1 1 1 -17 6   35 o 28.268  8.0670  104.719    58.057   89.699     67.665   146.626    113.027  26.800  8.9055  33.691  11.511  -6.890240      14.55343 
1 1 1 -17 6   36 o 63.448  4.4976  499.014    68.792   545.395    93.646   444.646    101.388  65.845  5.9249  58.875  7.2505  6.969997       9.363471 
1 1 1 -17 6   37 o 43.682  6.5307  244.724    67.095   163.961    92.505   334.375    97.463   34.755  10.262  50.487  8.2404  -15.73192      13.16081 
1 1 1 -17 6   38 o 60.924  5.3451  465.202    78.217   399.341    106.186  543.326    115.650  55.243  8.1681  64.936  7.4766  -9.692158      11.07324 
1 1 1 -17 6   39 o 84.452  5.9201  898.055    120.545  945.569    248.250  883.395    137.893  81.431  13.002  83.224  6.8906  -1.793701      14.71467 
1 1 1 -17 6   40 o 73.171  7.0746  687.750    124.037  758.469    232.446  659.596    146.663  71.736  13.856  70.642  8.7432  1.094345       16.38376 
1 1 1 -17 6   41 o 47.894  9.3742  312.780    105.038  411.229    200.579  275.580    123.297  51.090  15.118  43.814  11.465  7.276081       18.97347 
1 1 1 -17 6   42 o 90.799  4.7124  1029.10    103.465  854.002    142.367  1225.09    150.625  81.098  7.3136  97.979  6.3704  -16.88073      9.699024 
1 1 1 -17 6   43 o 20.738  7.9620  42.727     56.259   -21.5739   78.474   110.723    80.697   18.643  8.3636  28.813  9.7266  -10.16962      12.82796 
1 1 1 -17 6   44 o 50.575  5.9566  329.472    71.695   227.088    98.249   446.093    104.858  39.763  10.149  57.936  7.6459  -18.17301      12.70671 
1 1 1 -17 6   45 o 34.516  7.6631  162.460    62.506   183.528    86.731   139.694    90.161   35.751  9.7355  31.380  10.273  4.371225       14.15302 
1 1 1 -17 6   46 o 23.143  8.3070  66.200     59.337   23.100     80.461   117.585    87.855   21.265  9.0088  29.151  10.139  -7.885836      13.56328 
1 1 1 -17 6   47 o 17.664  7.5239  10.059     56.646   -32.7795   76.328   62.579     84.514   17.527  8.0150  24.300  9.6325  -6.772829      12.53100 
1 1 1 -17 6   48 o 39.956  7.0607  215.382    65.949   284.853    90.739   137.594    96.017   45.070  8.6115  30.792  10.606  14.27766       13.66181 
1 1 1 -17 6   49 o 36.670  9.3804  195.260    83.801   209.588    95.143   145.686    176.974  37.509  10.189  32.788  13.587  4.721764       16.98335 
1 1 1 -17 6   50 o 43.703  6.7120  254.459    68.900   303.243    97.397   205.592    97.481   46.260  9.0011  37.041  10.412  9.219490       13.76371 
1 1 1 -17 6   51 o 49.351  6.0888  318.595    71.364   278.590    96.565   366.739    105.934  44.059  9.3236  51.078  8.8691  -7.019238      12.86816 
1 1 1 -17 6   52 o 15.344  7.2695  -68.4542   72.279   269.117    227.026  -106.5302  76.246   38.635  15.625  14.485  7.0179  24.14994       17.12915 
1 1 1 -17 6   53 o 58.135  9.4553  487.829    128.791  -6.6152    300.630  598.972    142.533  31.183  14.789  64.587  9.3685  -33.40427      17.50627 
1 1 1 -17 7   1  o 83.404  3.9855  846.242    80.656   948.855    120.681  763.403    108.430  88.012  5.6814  78.902  5.7021  9.109970       8.049362 
1 1 1 -17 7   2  o 147.783 4.3406  2658.22    155.648  2971.21    221.310  2351.88    218.947  156.036 5.8454  138.728 6.5044  17.30815       8.745038 
1 1 1 -17 7   3  o 195.743 4.8834  4667.50    231.940  4845.75    327.629  4488.41    328.399  199.069 6.7829  191.524 7.0667  7.544800       9.795165 
1 1 1 -17 7   4  o 140.038 4.2249  2386.46    143.559  2756.55    205.662  2034.77    200.483  150.326 5.6384  129.053 6.4025  21.27290       8.531313 
1 1 1 -17 7   5  o 10.861  5.1027  -36.6293   34.284   -0.9069    70.921   -47.5233   39.165   19.696  8.4046  11.282  5.3467  8.413776       9.961164 
1 1 1 -17 7   6  o 139.943 4.2169  2383.22    143.189  2636.18    205.438  2144.23    199.684  146.989 5.7601  132.505 6.2108  14.48373       8.470707 
1 1 1 -17 7   7  o 180.671 6.7319  3991.05    295.116  0.0000     0.0000   3991.05    295.116  ?       ?       180.671 6.7319  0.000000       6.731922 
1 1 1 -17 7   8  o 135.178 5.8380  2229.95    191.486  0.0000     0.0000   2229.95    191.486  ?       ?       135.178 5.8380  0.000000       5.838024 
1 1 1 -17 7   9  o 79.332  9.7822  787.245    184.310  0.0000     0.0000   787.245    184.310  ?       ?       79.332  9.7822  0.000000       9.782166 
1 1 1 -17 7   10 o 111.986 6.1818  1536.13    167.323  1649.46    217.453  1371.63    261.979  115.740 7.7885  104.854 10.436  10.88625       13.02178 
1 1 1 -17 7   11 o 219.866 7.3255  5919.64    390.803  5406.49    521.974  6574.21    589.529  209.182 10.284  230.564 10.538  -21.38217      14.72431 
1 1 1 -17 7   12 o 73.635  5.9191  666.054    104.862  677.152    121.519  633.691    207.510  74.099  6.8359  70.308  12.628  3.790581       14.35940 
1 1 1 -17 7   13 f 201.427 4.9940  4944.05    244.079  4502.52    342.730  5398.43    347.682  191.727 7.3672  210.080 6.8208  -18.35297      10.03986 
1 1 1 -17 7   14 o 11.428  5.4036  -46.3667   39.565   -5.2667    53.796   -94.7918   58.394   16.821  7.2515  12.768  6.1748  4.052786       9.524261 
1 1 1 -17 7   15 f 141.488 4.2631  2436.69    146.355  2293.56    203.996  2588.50    210.094  137.028 6.1355  145.602 5.9468  -8.574020      8.544466 
1 1 1 -17 7   16 o 69.944  3.9804  597.167    67.272   584.373    95.148   609.955    95.127   68.960  5.7386  70.482  5.6088  -1.522591      8.024300 
1 1 1 -17 7   17 o 27.971  7.2349  99.432     49.472   64.249     66.682   142.508    73.783   24.676  8.8115  33.443  8.9261  -8.767035      12.54266 
1 1 1 -17 7   18 o 217.887 5.2190  5789.94    275.918  5810.43    390.943  5769.60    389.475  217.697 7.4011  216.931 7.3994  0.7656555      10.46553 
1 1 1 -17 7   19 o 100.376 6.2062  1236.33    150.413  1361.30    253.441  1168.37    186.884  104.403 10.132  97.201  7.9948  7.202477       12.90648 
1 1 1 -17 7   20 o 115.508 6.2261  1636.34    173.854  2056.74    293.111  1408.18    215.939  128.686 9.4534  106.637 8.4140  22.04859       12.65551 
1 1 1 -17 7   21 o 69.090  7.1113  591.475    117.511  345.493    209.115  705.000    142.062  51.608  15.474  75.325  7.8898  -23.71760      17.36918 
1 1 1 -17 7   22 o 202.811 7.3007  5051.95    359.268  5051.75    546.414  5052.10    476.828  200.836 11.258  201.856 9.7354  -1.020111      14.88378 
1 1 1 -17 7   23 o 125.095 4.1967  1906.87    127.384  1804.34    178.224  2013.94    182.137  121.399 6.0504  128.294 5.8510  -6.894989      8.416730 
1 1 1 -17 7   24 o 76.253  4.2161  710.972    77.704   736.729    107.491  682.781    112.456  77.368  5.7673  74.362  6.2916  3.005882       8.534997 
1 1 1 -17 7   25 f 152.277 4.4383  2830.00    163.990  2748.12    230.462  2913.97    233.401  149.596 6.3492  154.074 6.2432  -4.478699      8.904466 
1 1 1 -17 7   26 o 109.840 4.2178  1472.57    112.412  1482.31    156.524  1462.20    161.544  109.734 5.9003  108.921 6.1375  0.8134613      8.513647 
1 1 1 -17 7   27 o 63.033  4.4333  488.001    67.374   479.163    91.830   498.305    99.153   62.100  6.1763  63.248  6.5562  -1.147350      9.007201 
1 1 1 -17 7   28 o 53.091  4.6859  347.802    59.744   340.731    81.433   356.044    87.919   52.120  6.5862  53.191  6.9807  -1.070938      9.597280 
1 1 1 -17 7   29 o 15.415  6.4822  4.5961     41.163   0.8212     53.176   10.240     65.019   17.055  7.2778  19.480  8.1668  -2.424376      10.93905 
1 1 1 -17 7   30 o 24.922  7.1569  79.326     45.558   138.518    59.808   -2.4939    70.317   32.643  7.6794  19.247  8.2940  13.39596       11.30327 
1 1 1 -17 7   31 f 55.415  4.6671  380.023    62.170   346.875    84.839   418.469    91.367   52.330  6.8457  57.612  6.6586  -5.282150      9.549934 
1 1 1 -17 7   32 o 45.347  5.3380  257.485    57.609   284.789    77.514   223.793    86.104   47.236  6.9728  41.171  8.8803  6.064632       11.29064 
1 1 1 -17 7   33 o 79.053  5.7318  780.005    109.197  961.119    134.725  433.183    186.434  87.506  6.3894  54.996  13.950  32.51012       15.34343 
1 1 1 -17 7   34 o 54.438  6.1642  374.465    79.987   314.376    94.653   524.564    149.598  49.053  8.2450  62.648  10.192  -13.59478      13.10922 
1 1 1 -17 7   35 o 37.595  5.9359  180.372    52.350   111.636    69.520   270.396    79.560   29.206  8.9575  45.665  7.4363  -16.45864      11.64198 
1 1 1 -17 7   36 o 28.210  8.5871  104.110    64.044   122.107    87.744   83.590     93.693   30.679  10.139  27.604  10.349  3.074656       14.48727 
1 1 1 -17 7   37 o 39.525  7.0496  203.139    65.128   212.269    89.769   192.994    94.633   39.537  9.4801  37.513  10.150  2.023792       13.88877 
1 1 1 -17 7   38 o 87.628  4.6642  953.204    98.814   905.196    137.107  1005.09    142.538  84.346  6.7560  88.965  6.6512  -4.618942      9.480646 
1 1 1 -17 7   39 o 23.840  9.7228  40.503     88.765   -5.7168    181.468  55.039     101.771  28.863  12.849  25.913  10.468  2.950502       16.57385 
1 1 1 -17 7   40 o 59.640  7.9109  466.621    111.654  249.493    215.147  546.655    130.622  41.387  15.646  64.201  8.6013  -22.81447      17.85455 
1 1 1 -17 7   41 o 31.616  8.1052  135.230    62.468   162.352    85.438   104.077    91.567   34.178  9.7969  28.757  10.320  5.420803       14.22936 
1 1 1 -17 7   42 o 28.156  8.3623  107.116    61.288   112.701    83.515   100.597    90.221   29.110  9.8947  28.253  10.230  0.8566093      14.23208 
1 1 1 -17 7   43 o 33.839  7.9864  156.337    64.519   177.624    86.697   129.915    96.591   35.373  9.7756  30.798  10.636  4.574596       14.44602 
1 1 1 -17 7   44 o 38.787  7.1888  201.404    65.166   236.738    90.290   162.988    94.146   40.965  9.2966  33.597  10.444  7.368008       13.98225 
1 1 1 -17 7   45 o 26.484  8.4554  95.451     61.320   122.960    88.147   69.653     85.360   29.682  10.165  25.037  9.7538  4.644119       14.08774 
1 1 1 -17 7   46 o 14.748  6.7161  -24.6078   52.894   -75.8989   74.079   28.737     75.548   15.346  7.2962  21.115  8.8241  -5.769329      11.44985 
1 1 1 -17 7   47 o 18.202  7.6555  16.065     57.425   -58.5950   77.608   106.405    85.369   16.475  7.7205  27.891  9.9690  -11.41518      12.60895 
1 1 1 -17 7   48 o 51.251  8.0540  361.282    96.852   432.022    111.634  145.970    194.759  55.743  8.5244  33.156  14.029  22.58767       16.41621 
1 1 1 -17 7   49 o 35.484  9.5148  183.866    83.602   191.609    94.683   156.473    178.096  35.771  10.331  33.295  13.698  2.476246       17.15653 
1 1 1 -17 7   50 o 36.355  7.8333  183.066    67.061   151.917    92.627   217.379    97.218   32.082  10.408  38.169  10.271  -6.087063      14.62262 
1 1 1 -17 7   51 o 36.517  7.4351  182.929    63.640   171.599    87.436   195.694    92.805   34.033  9.9562  36.203  10.154  -2.169952      14.22050 
1 1 1 -17 7   52 o 23.098  9.8085  36.411     95.740   -107.1423  253.939  60.198     103.368  27.661  13.249  25.063  10.385  2.597755       16.83415 
1 1 1 -17 7   53 o 59.129  9.5980  511.392    132.980  234.165    288.583  586.128    149.837  36.165  16.144  62.698  10.200  -26.53318      19.09652 
1 1 1 -17 8   1  o 171.731 4.5784  3591.02    190.778  3998.34    270.728  3189.24    268.883  180.941 6.1664  161.473 6.8628  19.46825       9.226164 
1 1 1 -17 8   2  o 229.342 5.4104  6413.71    301.075  7022.74    425.620  5803.75    425.948  239.478 7.3247  217.489 8.0715  21.98965       10.89959 
1 1 1 -17 8   3  o 169.558 4.5806  3500.70    188.455  3903.24    267.766  3105.59    265.283  178.776 6.1728  159.343 6.8614  19.43347       9.229406 
1 1 1 -17 8   4  o 149.825 4.4302  2732.66    161.055  3047.81    230.382  2431.41    225.238  158.004 6.0092  141.036 6.5818  16.96706       8.912395 
1 1 1 -17 8   5  o 150.535 4.4352  2758.64    162.000  3062.26    231.669  2468.10    226.621  158.374 6.0286  142.098 6.5728  16.27646       8.918847 
1 1 1 -17 8   6  o 156.730 6.2323  3000.30    237.006  0.0000     0.0000   3000.30    237.006  ?       ?       156.730 6.2323  0.000000       6.232252 
1 1 1 -17 8   7  o 213.688 7.3050  5591.41    378.762  0.0000     0.0000   5591.41    378.762  ?       ?       213.688 7.3050  0.000000       7.305023 
1 1 1 -17 8   8  o 154.132 9.6029  2939.41    357.352  0.0000     0.0000   2939.41    357.352  ?       ?       154.132 9.6029  0.000000       9.602889 
1 1 1 -17 8   9  o 9.4521  4.7765  -180.2939  53.087   -184.6957  75.582   -176.0078  74.582   12.751  6.3334  12.821  6.3550  -0.7015419E-01 8.972010 
1 1 1 -17 8   10 o 60.776  5.8781  454.982    85.601   538.565    106.824  305.019    143.089  66.024  6.7636  48.579  12.166  17.44562       13.91964 
1 1 1 -17 8   11 o 204.493 7.1851  5119.84    356.514  5214.57    475.252  4997.92    539.145  205.670 9.5233  200.486 11.127  5.184006       14.64572 
1 1 1 -17 8   12 o 242.006 7.1419  7170.26    419.378  7548.92    519.942  6465.24    709.465  247.792 8.6478  227.139 12.926  20.65298       15.55231 
1 1 1 -17 8   13 o 222.592 5.2290  6040.80    282.415  5789.10    397.521  6297.30    401.296  217.329 7.5384  226.741 7.2941  -9.412186      10.48957 
1 1 1 -17 8   14 o 264.882 5.9150  8566.75    380.167  8336.77    536.122  8799.36    539.167  260.427 8.4843  267.628 8.3029  -7.201538      11.87098 
1 1 1 -17 8   15 o 129.764 4.1188  2049.33    129.683  2000.28    180.572  2101.57    186.365  128.001 5.8140  131.197 5.8543  -3.195129      8.250775 
1 1 1 -17 8   16 o 138.203 4.3444  2325.54    145.685  2242.25    203.607  2412.93    208.541  135.456 6.1949  140.529 6.1159  -5.073883      8.705212 
1 1 1 -17 8   17 o 152.004 4.4083  2813.74    162.588  2651.12    228.638  2980.09    231.253  147.239 6.3997  156.163 6.1030  -8.924103      8.843273 
1 1 1 -17 8   18 o 165.843 6.6167  3366.19    266.257  3477.44    414.158  3287.82    347.612  167.247 10.255  163.124 8.8151  4.123215       13.52314 
1 1 1 -17 8   19 f 147.176 6.3797  2650.26    227.825  2720.80    363.681  2604.69    292.282  147.826 10.202  145.247 8.3282  2.579102       13.16942 
1 1 1 -17 8   20 o 116.421 6.2543  1663.13    176.027  1638.89    290.679  1677.17    221.198  114.375 10.594  116.533 7.8690  -2.158028      13.19714 
1 1 1 -17 8   21 o 89.681  6.4677  990.180    139.794  829.777    241.121  1071.40    171.573  80.305  12.805  93.037  7.6686  -12.73220      14.92526 
1 1 1 -17 8   22 o 147.449 4.4577  2650.70    159.482  2687.84    225.694  2613.65    225.389  148.119 6.2798  146.042 6.3605  2.077164       8.938213 
1 1 1 -17 8   23 o 195.777 5.0012  4681.57    237.574  4427.02    336.171  4935.54    335.789  189.659 7.3050  200.408 6.9054  -10.74867      10.05226 
1 1 1 -17 8   24 o 201.367 5.1483  4958.42    251.545  4714.43    356.238  5201.04    355.241  195.484 7.5104  205.496 7.1245  -10.01178      10.35206 
1 1 1 -17 8   25 o 140.950 4.4043  2425.99    150.630  2222.73    212.368  2631.77    213.683  134.401 6.5121  146.397 6.0155  -11.99551      8.865348 
1 1 1 -17 8   26 o 15.184  6.5342  -2.9889    43.520   -28.6531   55.697   37.246     69.738   15.449  6.9781  22.305  8.7789  -6.855363      11.21442 
1 1 1 -17 8   27 o 46.988  5.1290  273.954    57.527   243.890    76.469   313.153    87.318   43.751  7.4717  49.709  7.4705  -5.957951      10.56574 
1 1 1 -17 8   28 o 30.919  6.8478  123.035    50.020   99.425     66.775   153.220    75.504   28.149  8.8031  34.261  8.9752  -6.112513      12.57173 
1 1 1 -17 8   29 o 25.514  7.3578  83.156     48.060   65.423     63.906   106.241    72.917   24.261  8.6302  29.054  9.2144  -4.793085      12.62480 
1 1 1 -17 8   30 o 49.902  4.9964  309.514    59.685   343.336    80.853   269.012    88.477   52.166  6.5309  45.530  8.3152  6.635708       10.57332 
1 1 1 -17 8   31 o 57.204  4.6311  405.094    63.729   399.753    87.042   411.266    93.563   56.289  6.4920  56.961  6.9111  -0.6725349     9.482051 
1 1 1 -17 8   32 o 22.110  7.9445  53.872     54.285   63.871     63.065   25.274     106.655  23.879  8.5648  24.868  10.445  -0.9892292     13.50726 
1 1 1 -17 8   33 o 27.114  8.1383  95.229     57.822   90.742     67.305   107.871    112.977  26.915  8.8787  30.726  11.394  -3.811209      14.44503 
1 1 1 -17 8   34 o 51.802  6.2108  340.203    76.509   277.210    91.163   490.282    140.712  45.832  8.5109  60.558  9.9198  -14.72659      13.07048 
1 1 1 -17 8   35 o 25.402  8.5021  80.102     61.653   0.3672     82.337   181.863    93.017   20.685  8.9441  36.509  10.139  -15.82324      13.52027 
1 1 1 -17 8   36 o 64.664  5.2652  523.094    81.894   507.211    110.424  542.509    122.084  62.768  7.3921  64.659  7.9489  -1.891121      10.85492 
1 1 1 -17 8   37 o 61.534  5.5210  475.941    81.556   350.056    111.866  618.766    119.156  51.022  9.3818  69.444  7.1750  -18.42228      11.81097 
1 1 1 -17 8   38 o 21.659  9.2668  10.259     86.627   155.920    176.519  -35.9507   99.423   35.899  14.015  20.611  9.3150  15.28768       16.82812 
1 1 1 -17 8   39 o 46.012  9.1602  287.177    98.673   27.319     194.202  377.608    114.563  30.728  13.503  52.864  9.2693  -22.13617      16.37824 
1 1 1 -17 8   40 o 37.735  7.9836  191.133    70.817   211.089    90.515   159.640    113.708  38.995  9.6248  34.013  11.546  4.981632       15.03125 
1 1 1 -17 8   41 o 62.485  5.3656  493.800    80.561   448.033    109.281  548.279    119.229  58.118  7.9585  64.488  7.7767  -6.370102      11.12718 
1 1 1 -17 8   42 f 48.819  6.2807  308.639    72.674   255.078    97.906   374.362    108.454  42.542  9.7001  52.343  8.8551  -9.800907      13.13410 
1 1 1 -17 8   43 o 34.703  8.2339  166.076    68.288   245.250    93.368   75.008     100.136  41.657  9.4539  26.499  10.491  15.15815       14.12224 
1 1 1 -17 8   44 o 43.957  6.8748  256.415    70.924   300.906    95.012   200.425    106.585  46.555  8.7318  36.615  11.063  9.939465       14.09351 
1 1 1 -17 8   45 o 26.737  8.3392  98.400     59.968   64.526     84.452   132.849    85.167   24.480  9.6527  30.459  9.9848  -5.978601      13.88776 
1 1 1 -17 8   46 o 41.287  6.9855  229.195    67.484   226.127    92.508   232.686    98.664   39.303  9.7479  39.567  10.209  -0.2644043     14.11527 
1 1 1 -17 8   47 o 50.532  8.6662  357.816    102.432  377.990    117.336  293.189    210.007  51.015  9.8358  40.081  15.384  10.93414       18.25982 
1 1 1 -17 8   48 o 47.397  8.8305  317.267    97.818   329.702    113.458  281.259    193.072  47.256  10.194  39.718  14.862  7.538036       18.02249 
1 1 1 -17 8   49 o 28.628  8.4012  115.310    62.170   109.439    83.972   122.432    92.488   28.104  9.9038  29.407  10.391  -1.303007      14.35443 
1 1 1 -17 8   50 o 36.305  7.6634  182.022    65.388   192.214    88.327   169.662    97.263   36.077  9.8249  33.582  10.641  2.494305       14.48318 
1 1 1 -17 8   51 o 63.844  8.8879  574.324    133.950  631.880    306.982  560.788    148.869  51.789  18.852  61.675  10.312  -9.885834      21.48769 
1 1 1 -17 8   52 o 37.609  11.926  231.101    122.146  353.620    289.828  204.640    134.692  40.175  17.063  35.206  12.528  4.969872       21.16879 
1 1 1 -17 9   1  o 15.134  5.2676  24.889     23.715   -136.0050  63.809   50.675     25.544   12.280  6.0477  20.021  5.2086  -7.741010      7.981520 
1 1 1 -17 9   2  o 35.157  5.6715  154.574    46.735   131.462    80.049   166.527    57.565   32.389  9.5409  36.328  6.7800  -3.938732      11.70454 
1 1 1 -17 9   3  o 162.428 4.4580  3212.00    175.699  3468.67    250.012  2961.56    246.967  168.533 6.1138  155.654 6.5390  12.87950       8.951963 
1 1 1 -17 9   4  o 61.616  4.8782  465.397    72.336   450.316    104.663  479.188    100.088  60.211  7.3142  62.244  6.7345  -2.032570      9.942345 
1 1 1 -17 9   5  o 156.933 6.1128  3007.59    232.766  0.0000     0.0000   3007.59    232.766  ?       ?       156.933 6.1128  0.000000       6.112837 
1 1 1 -17 9   6  o 38.471  6.8721  186.403    61.795   0.0000     0.0000   186.403    61.795   ?       ?       38.471  6.8721  0.000000       6.872091 
1 1 1 -17 9   7  o 13.326  6.6287  -210.5788  84.073   0.0000     0.0000   -210.5788  84.073   ?       ?       13.326  6.6287  0.000000       6.628728 
1 1 1 -17 9   8  o 121.965 5.8506  1815.70    173.139  1820.58    227.237  1808.93    267.331  121.615 7.7409  120.870 9.1839  0.7447586      12.01109 
1 1 1 -17 9   9  o 125.117 5.7804  1910.55    175.484  2005.71    226.359  1767.21    277.814  127.760 7.3327  119.322 9.6789  8.437576       12.14289 
1 1 1 -17 9   10 o 133.022 5.8825  2160.14    189.866  2201.94    246.339  2098.97    298.000  133.813 7.6185  130.149 9.5022  3.663803       12.17921 
1 1 1 -17 9   11 o 211.135 5.0527  5433.30    258.848  5623.46    365.439  5241.83    366.697  214.337 7.0267  206.861 7.3057  7.475021       10.13651 
1 1 1 -17 9   12 o 74.296  4.3449  674.278    77.986   618.381    100.538  758.714    123.567  70.928  5.8952  78.507  6.5465  -7.578819      8.809697 
1 1 1 -17 9   13 o 189.685 4.8461  4384.22    223.042  4353.48    313.219  4415.84    317.685  188.612 6.8441  189.946 6.8929  -1.334396      9.713574 
1 1 1 -17 9   14 o 67.680  4.1710  559.646    68.162   599.464    93.532   514.549    99.540   69.872  5.5630  64.559  6.4403  5.312614       8.510271 
1 1 1 -17 9   15 o 111.530 4.1759  1514.18    113.007  1407.97    155.202  1634.02    164.867  107.195 5.9910  115.520 5.9015  -8.325073      8.409549 
1 1 1 -17 9   16 o 57.353  4.9067  403.855    67.624   320.771    88.679   519.309    104.536  50.623  7.4417  64.794  6.7482  -14.17100      10.04574 
1 1 1 -17 9   17 o 180.854 6.9856  4007.58    306.547  3490.85    466.242  4401.05    406.847  166.998 11.578  188.955 8.8738  -21.95735      14.58734 
1 1 1 -17 9   18 o 150.940 6.5186  2788.85    238.738  2718.95    380.661  2834.18    306.512  147.568 10.704  151.505 8.3704  -3.936127      13.58817 
1 1 1 -17 9   19 o 59.793  7.8423  446.836    111.035  242.489    213.123  522.967    130.085  45.366  15.791  64.612  8.5042  -19.24533      17.93567 
1 1 1 -17 9   20 o 142.036 6.4097  2471.09    220.902  2416.20    359.484  2504.39    280.005  138.875 10.752  142.354 8.1403  -3.479477      13.48589 
1 1 1 -17 9   21 o 113.936 4.2647  1582.08    117.899  1543.29    167.063  1620.56    166.409  112.089 6.1663  114.909 5.9892  -2.819397      8.596127 
1 1 1 -17 9   22 o 193.759 4.9595  4585.05    233.164  4676.85    330.999  4494.62    328.502  195.052 6.9938  191.182 7.0815  3.869461       9.952941 
1 1 1 -17 9   23 o 60.095  4.6424  443.539    67.169   436.927    93.422   450.615    96.643   59.275  6.6080  60.180  6.7339  -0.9049454     9.434569 
1 1 1 -17 9   24 o 84.298  4.2413  869.460    86.476   713.606    122.713  1023.21    121.883  75.836  6.7391  91.209  5.5335  -15.37315      8.719802 
1 1 1 -17 9   25 o 33.215  6.8058  140.950    53.007   91.019     69.541   210.193    81.891   27.465  9.0233  40.339  8.6277  -12.87459      12.48426 
1 1 1 -17 9   26 o 37.696  6.2007  179.542    54.742   188.595    74.620   168.993    80.553   38.182  8.2919  36.011  9.1888  2.171108       12.37702 
1 1 1 -17 9   27 o 22.159  7.2539  58.972     44.956   54.306     58.227   65.857     70.740   22.675  8.2169  24.899  9.0516  -2.224495      12.22495 
1 1 1 -17 9   28 o 47.485  5.2823  280.843    59.831   222.810    81.060   350.300    88.680   41.419  8.3539  52.594  7.1331  -11.17453      10.98493 
1 1 1 -17 9   29 o 42.013  5.5170  221.481    54.881   216.420    74.498   227.487    81.154   40.895  7.7923  41.803  8.2938  -0.9079475     11.38007 
1 1 1 -17 9   30 o 89.990  4.2415  993.930    92.613   915.394    129.242  1076.82    132.779  85.568  6.2685  92.987  5.9157  -7.418968      8.619111 
1 1 1 -17 9   31 o 14.824  6.6093  -16.8612   48.201   13.581     53.915   -138.0664  107.581  18.105  7.5009  17.969  8.6113  0.1364822      11.42005 
1 1 1 -17 9   32 o 39.616  7.5858  204.657    70.263   269.029    84.256   57.676     127.316  45.435  7.9313  28.388  11.619  17.04720       14.06754 
1 1 1 -17 9   33 o 31.300  8.0199  129.741    61.184   124.723    71.372   143.650    118.830  30.690  9.0001  33.570  11.785  -2.880543      14.82894 
1 1 1 -17 9   34 o 31.900  7.5165  134.303    57.224   88.470     84.444   173.224    77.816   27.460  9.9038  35.887  8.9631  -8.426800      13.35750 
1 1 1 -17 9   35 o 42.900  6.8815  237.797    69.209   117.809    93.022   386.570    103.581  30.406  10.441  54.380  8.0971  -23.97327      13.21300 
1 1 1 -17 9   36 o 34.911  7.7366  161.566    63.812   229.637    87.773   85.251     92.936   41.274  9.0166  27.595  10.314  13.67860       13.69972 
1 1 1 -17 9   37 o 83.433  6.7710  887.533    135.891  825.096    246.334  914.846    162.924  74.849  14.080  83.853  8.1088  -9.004555      16.24843 
1 1 1 -17 9   38 o 12.792  6.2967  -137.0384  68.882   -134.5050  147.901  -137.7401  77.839   21.920  10.389  14.037  6.8648  7.882995       12.45206 
1 1 1 -17 9   39 o 47.755  9.3125  311.373    104.032  397.327    197.589  278.408    122.366  50.096  15.046  43.998  11.377  6.097424       18.86347 
1 1 1 -17 9   40 o 37.618  7.5057  188.834    66.108   156.146    91.319   224.827    95.824   33.410  10.269  39.985  9.9236  -6.574409      14.28076 
1 1 1 -17 9   41 o 43.128  6.8830  244.600    69.607   295.490    93.712   181.971    103.961  46.556  8.6131  35.513  10.964  11.04240       13.94267 
1 1 1 -17 9   42 o 36.215  7.7762  178.332    66.291   182.853    89.681   172.886    98.427   35.699  9.9702  34.544  10.669  1.155800       14.60250 
1 1 1 -17 9   43 o 34.660  8.0460  165.764    66.365   139.577    89.318   198.041    99.160   31.301  10.223  36.663  10.567  -5.362513      14.70342 
1 1 1 -17 9   44 o 25.411  8.5949  86.156     63.012   144.899    85.597   16.664     93.100   31.652  9.9777  21.999  9.5115  9.653250       13.78487 
1 1 1 -17 9   45 f 26.097  8.4901  93.358     61.621   198.946    85.902   -18.5727   88.444   36.962  9.5201  19.577  8.8224  17.38501       12.97951 
1 1 1 -17 9   46 f 67.750  5.2628  587.966    85.836   586.086    120.202  589.921    122.616  65.755  7.6784  65.839  7.8288  -0.8399200E-01 10.96581 
1 1 1 -17 9   47 o 54.791  7.8271  410.389    101.100  409.372    116.534  413.482    203.283  53.537  9.3088  47.052  15.426  6.485100       18.01714 
1 1 1 -17 9   48 o 40.196  9.7072  236.910    93.608   252.843    107.844  188.232    188.505  40.783  10.747  34.877  14.190  5.906231       17.80057 
1 1 1 -17 9   49 o 18.516  7.7728  17.997     59.022   123.847    85.982   -76.3242   81.165   29.419  10.040  16.185  7.6782  13.23436       12.63912 
1 1 1 -17 9   50 o 14.843  6.8072  -28.9934   55.607   -100.4911  80.036   37.726     77.315   15.154  7.3037  21.761  8.9961  -6.606914      11.58765 
1 1 1 -17 9   51 o 16.080  7.9080  -179.1649  107.842  -164.2445  268.562  -182.0333  117.753  27.014  13.108  17.001  8.3411  10.01286       15.53649 
1 1 1 -17 9   52 o 38.678  17.368  353.916    339.219  353.916    339.219  0.0000     0.0000   38.678  17.368  ?       ?       0.000000       17.36775 
1 1 1 -17 10  1  o 57.057  4.4703  398.782    61.393   481.888    96.119   341.515    79.789   62.468  6.4335  52.483  6.3979  9.984909       9.073205 
1 1 1 -17 10  2  o 105.618 4.0027  1357.24    102.577  1501.76    148.906  1226.74    141.509  110.953 5.5311  100.080 5.8529  10.87336       8.052864 
1 1 1 -17 10  3  o 115.335 4.0593  1618.59    113.600  1694.49    164.285  1549.05    157.255  117.833 5.7460  112.514 5.7797  5.319664       8.149943 
1 1 1 -17 10  4  o 109.367 5.6391  1463.24    149.136  0.0000     0.0000   1463.24    149.136  ?       ?       109.367 5.6391  0.000000       5.639138 
1 1 1 -17 10  5  o 99.569  5.5742  1213.23    134.129  0.0000     0.0000   1213.23    134.129  ?       ?       99.569  5.5742  0.000000       5.574193 
1 1 1 -17 10  6  o 32.241  12.218  94.868     131.404  0.0000     0.0000   94.868     131.404  ?       ?       32.241  12.218  0.000000       12.21832 
1 1 1 -17 10  7  o 122.019 6.3517  1824.30    187.404  2100.70    248.607  1460.55    285.203  130.625 7.8807  108.011 11.037  22.61378       13.56208 
1 1 1 -17 10  8  o 90.438  5.6031  1001.72    122.350  953.172    151.192  1093.85    208.259  87.947  7.1469  93.786  9.2731  -5.839081      11.70762 
1 1 1 -17 10  9  o 114.663 5.4985  1603.92    152.978  1245.58    194.843  2179.82    247.008  100.417 8.0648  133.111 7.6804  -32.69393      11.13684 
1 1 1 -17 10  10 o 230.571 5.4516  6485.15    304.993  6489.53    430.345  6480.73    432.313  230.021 7.7105  229.852 7.7515  0.1692963      10.93335 
1 1 1 -17 10  11 o 290.908 6.2954  10342.98   444.365  10339.25   627.649  10346.72   629.209  289.783 8.9265  289.878 8.9457  -0.9552002E-01 12.63757 
1 1 1 -17 10  12 o 140.503 4.1674  2402.87    142.073  2483.16    200.211  2321.43    201.640  142.615 5.7857  137.856 6.0282  4.759460       8.355464 
1 1 1 -17 10  13 f 110.174 4.0084  1477.18    107.156  1469.66    149.159  1485.19    154.041  109.588 5.6284  110.141 5.7843  -0.5525742     8.070746 
1 1 1 -17 10  14 o 172.469 4.6693  3624.15    195.401  3293.89    273.242  3969.82    279.542  164.019 6.8658  180.172 6.3943  -16.15324      9.382254 
1 1 1 -17 10  15 o 157.486 4.4721  3021.06    170.892  2757.17    237.925  3302.27    245.613  150.112 6.5322  164.359 6.1588  -14.24728      8.977761 
1 1 1 -17 10  16 o 122.541 6.0870  1835.75    180.989  1824.08    288.389  1843.34    232.470  121.016 9.9082  122.238 7.8799  -1.221184      12.65956 
1 1 1 -17 10  17 o 130.745 6.0702  2090.28    192.570  2721.06    307.117  1681.61    247.203  148.363 8.5678  116.450 8.8142  31.91286       12.29210 
1 1 1 -17 10  18 o 49.166  8.4467  305.981    97.136   148.249    167.956  385.254    119.069  37.773  13.914  55.124  9.2283  -17.35169      16.69646 
1 1 1 -17 10  19 o 96.193  6.2586  1137.65    145.283  875.071    238.198  1293.19    183.331  82.679  12.244  102.317 7.4354  -19.63806      14.32458 
1 1 1 -17 10  20 o 153.303 4.5271  2866.04    168.399  2726.88    239.029  3003.19    237.286  149.102 6.6070  156.564 6.2462  -7.462616      9.092169 
1 1 1 -17 10  21 o 174.503 4.7667  3717.29    201.828  3590.43    287.024  3841.37    283.858  170.916 6.9210  176.887 6.6136  -5.971222      9.572915 
1 1 1 -17 10  22 o 92.662  4.2835  1047.41    96.308   976.331    135.230  1120.56    137.191  88.964  6.3055  95.420  5.9552  -6.456116      8.673146 
1 1 1 -17 10  23 o 40.407  5.7207  204.077    54.520   164.921    73.331   252.469    81.523   35.739  8.5677  44.548  7.8277  -8.809135      11.60507 
1 1 1 -17 10  24 o 68.647  4.4308  578.243    73.407   612.324    102.223  541.955    105.481  70.314  6.0505  65.967  6.6821  4.347046       9.014390 
1 1 1 -17 10  25 o 51.606  5.0202  329.488    62.066   329.847    83.587   329.046    92.661   51.201  6.9042  50.910  7.7455  0.2910461      10.37592 
1 1 1 -17 10  26 o 49.011  5.2691  298.478    61.677   299.322    83.926   297.487    90.945   48.554  7.3539  48.197  8.0614  0.3575401      10.91176 
1 1 1 -17 10  27 o 51.849  4.8887  333.052    60.777   294.663    84.324   374.556    87.678   48.067  7.4728  54.524  6.7733  -6.457542      10.08566 
1 1 1 -17 10  28 o 21.407  7.3000  53.388     45.459   84.695     58.613   6.1298     72.014   26.033  8.2619  20.024  8.5050  6.008705       11.85725 
1 1 1 -17 10  29 o 33.872  6.6398  147.727    52.619   107.238    70.218   199.586    79.467   28.947  9.0231  38.935  8.6377  -9.987837      12.49101 
1 1 1 -17 10  30 f 27.199  8.1632  95.386     58.177   73.470     67.686   157.361    113.825  25.195  8.8904  34.776  11.550  -9.580223      14.57534 
1 1 1 -17 10  31 o 26.772  8.2214  92.204     58.543   138.443    66.794   -61.0383   121.596  32.319  8.4296  22.154  10.125  10.16516       13.17485 
1 1 1 -17 10  32 o 74.986  5.8089  704.878    104.867  716.593    128.501  681.519    181.448  75.002  7.1476  71.004  10.879  3.997696       13.01655 
1 1 1 -17 10  33 o 27.740  7.5107  101.229    51.795   58.802     67.245   163.118    81.217   23.576  8.7811  34.749  9.4036  -11.17280      12.86603 
1 1 1 -17 10  34 o 30.548  8.4835  124.401    65.122   7.1030     89.011   259.501    95.527   21.805  9.3630  43.882  9.2627  -22.07669      13.17056 
1 1 1 -17 10  35 o 61.013  5.4548  467.560    79.902   468.033    114.022  467.104    112.004  59.885  8.0510  59.901  7.8988  -0.1597214E-01 11.27872 
1 1 1 -17 10  36 o 49.379  6.3402  311.837    74.210   335.348    101.747  285.115    108.474  50.191  8.6680  45.518  10.087  4.673561       13.29957 
1 1 1 -17 10  37 o 30.040  10.572  115.077    95.654   225.707    214.849  87.727     106.826  40.313  15.538  28.443  10.958  11.86943       19.01366 
1 1 1 -17 10  38 o 60.813  8.3201  489.896    119.548  329.079    247.744  538.708    136.490  45.309  16.859  63.277  9.1559  -17.96842      19.18458 
1 1 1 -17 10  39 o 27.994  8.9001  104.577    67.996   40.320     95.344   171.083    96.998   24.151  9.9876  34.819  10.561  -10.66782      14.53572 
1 1 1 -17 10  40 o 24.638  8.5951  75.999     63.155   69.510     92.348   81.701     86.562   25.817  10.121  26.422  9.9388  -0.6042843     14.18495 
1 1 1 -17 10  41 o 31.169  8.5589  134.600    66.707   87.631     91.109   188.874    97.937   26.996  10.187  36.079  10.532  -9.083082      14.65292 
1 1 1 -17 10  42 o 27.847  8.7815  106.539    66.299   149.514    90.152   55.919     97.841   32.264  10.247  24.946  10.195  7.318613       14.45457 
1 1 1 -17 10  43 o 17.149  7.5167  -3.2846    59.844   68.080     81.861   -85.2056   87.706   24.634  9.5642  16.742  7.9539  7.891500       12.43938 
1 1 1 -17 10  44 o 32.200  8.4556  146.663    66.910   121.216    91.049   176.541    98.658   29.322  10.315  34.277  10.697  -4.955000      14.86026 
1 1 1 -17 10  45 o 79.704  5.0741  809.910    97.619   831.677    136.601  787.191    139.555  78.873  7.2178  76.306  7.6401  2.567001       10.51038 
1 1 1 -17 10  46 o 40.971  9.7545  246.961    95.577   216.464    105.262  390.192    228.118  37.518  10.909  44.379  16.236  -6.861706      19.56068 
1 1 1 -17 10  47 o 21.103  8.8502  29.228     76.394   17.748     85.699   73.647     168.577  21.215  9.1490  29.133  12.696  -7.918324      15.64940 
1 1 1 -17 10  48 o 18.875  7.8655  21.521     59.783   -12.2554   81.149   61.609     88.407   19.069  8.5332  24.345  9.7842  -5.276451      12.98252 
1 1 1 -17 10  49 o 30.457  8.3989  131.872    64.077   139.624    87.478   122.898    94.123   30.816  10.120  29.339  10.470  1.476665       14.56129 
1 1 1 -17 10  50 o 25.138  10.164  69.067     96.035   -349.9395  307.141  114.470    101.105  25.983  12.882  28.629  10.747  -2.645981      16.77592 
1 1 1 -17 10  51 o 34.337  15.961  162.679    320.932  162.679    320.932  0.0000     0.0000   34.337  15.961  ?       ?       0.000000       15.96076 
1 1 1 -17 11  1  o 206.691 5.0663  5207.39    254.084  5651.96    358.715  4759.77    359.946  214.907 6.8792  197.049 7.5283  17.85808       10.19797 
1 1 1 -17 11  2  o 48.754  4.9209  292.566    57.417   432.795    92.288   204.010    73.339   59.143  6.5404  40.113  7.8160  19.03018       10.19155 
1 1 1 -17 11  3  o 121.208 4.1740  1788.08    122.758  2149.80    177.506  1456.48    169.953  132.747 5.5109  108.965 6.4568  23.78182       8.488855 
1 1 1 -17 11  4  o 74.498  9.5679  695.249    168.954  0.0000     0.0000   695.249    168.954  ?       ?       74.498  9.5679  0.000000       9.567879 
1 1 1 -17 11  5  o 209.107 11.064  5438.53    559.384  0.0000     0.0000   5438.53    559.384  ?       ?       209.107 11.064  0.000000       11.06433 
1 1 1 -17 11  6  o 147.350 9.7009  2690.88    344.900  0.0000     0.0000   2690.88    344.900  ?       ?       147.350 9.7009  0.000000       9.700947 
1 1 1 -17 11  7  o 68.009  7.1662  572.567    116.474  517.676    155.342  643.051    176.029  63.918  10.372  71.370  10.477  -7.451984      14.74225 
1 1 1 -17 11  8  o 61.809  7.2463  474.231    106.613  474.231    106.613  0.0000     0.0000   61.809  7.2463  ?       ?       0.000000       7.246284 
1 1 1 -17 11  9  o 13.554  5.8512  -4.0644    35.124   2.2470     50.041   -10.1939   49.314   16.806  7.1113  15.692  6.8520  1.113943       9.875203 
1 1 1 -17 11  10 o 100.872 3.9111  1238.05    95.726   1284.46    135.051  1191.18    135.706  102.463 5.4517  98.622  5.6952  3.840088       7.883959 
1 1 1 -17 11  11 o 107.869 3.9588  1415.92    103.615  1448.03    145.834  1383.19    147.244  108.789 5.5431  106.288 5.7305  2.500977       7.972735 
1 1 1 -17 11  12 o 254.142 5.8242  7887.94    359.153  7925.62    507.797  7850.23    508.043  253.910 8.2423  252.682 8.2863  1.228149       11.68752 
1 1 1 -17 11  13 o 237.487 5.5451  6884.47    319.532  6792.28    452.047  6976.54    451.727  235.145 7.9229  238.355 7.8107  -3.209610      11.12558 
1 1 1 -17 11  14 o 110.575 4.1202  1488.51    110.544  1459.94    156.491  1516.97    156.176  109.148 5.9312  111.289 5.8037  -2.141006      8.298293 
1 1 1 -17 11  15 f 147.915 6.3727  2677.09    228.718  2461.26    353.687  2832.22    299.850  140.463 10.452  151.512 8.1867  -11.04848      13.27679 
1 1 1 -17 11  16 o 89.636  6.0765  987.029    131.378  1472.68    218.187  710.793    164.553  109.054 8.3081  75.323  9.1944  33.73084       12.39201 
1 1 1 -17 11  17 o 46.479  8.6431  274.729    93.887   105.165    157.974  367.331    116.742  34.581  13.325  53.776  9.2824  -19.19534      16.23957 
1 1 1 -17 11  18 o 116.197 6.1433  1657.42    172.591  1633.48    278.456  1672.35    219.931  114.208 10.154  116.297 7.8396  -2.089600      12.82848 
1 1 1 -17 11  19 o 34.611  6.9289  152.213    56.159   176.990    71.286   111.677    91.178   37.181  8.1284  30.788  10.339  6.393446       13.15183 
1 1 1 -17 11  20 o 74.800  4.4405  684.859    80.232   620.724    108.184  763.250    119.604  70.858  6.3601  78.638  6.3218  -7.779861      8.967454 
1 1 1 -17 11  21 o 121.341 4.2761  1796.19    125.898  1630.55    176.950  1965.99    179.163  115.057 6.3630  126.648 5.8302  -11.59021      8.630166 
1 1 1 -17 11  22 o 7.8376  3.9193  -85.7449   31.100   -13.2001   36.125   -293.4873  61.131   12.921  5.7439  ?       ?       0.000000       5.743851 
1 1 1 -17 11  23 o 60.319  4.5524  447.313    66.137   435.234    91.538   460.505    95.660   59.091  6.4913  60.776  6.5925  -1.685242      9.251955 
1 1 1 -17 11  24 o 47.017  5.2095  274.451    58.433   268.952    79.777   280.816    85.828   46.021  7.3948  46.934  7.8112  -0.9131889     10.75626 
1 1 1 -17 11  25 o 105.031 4.2389  1349.66    108.028  1330.42    152.274  1369.15    153.281  103.653 6.0811  105.173 6.0317  -1.520073      8.565157 
1 1 1 -17 11  26 o 57.188  4.7328  404.087    65.083   482.250    89.051   314.467    95.355   62.198  5.9741  49.447  8.2374  12.75093       10.17575 
1 1 1 -17 11  27 o 41.788  5.6375  219.431    55.702   259.367    73.743   166.373    84.999   45.124  6.9589  35.478  9.6280  9.645443       11.87964 
1 1 1 -17 11  28 o 26.556  7.4319  91.205     49.776   70.332     67.187   116.602    74.109   24.904  8.8500  30.062  9.2532  -5.158352      12.80403 
1 1 1 -17 11  29 o 40.674  7.3252  213.940    69.635   198.038    80.728   260.168    137.641  38.655  8.8039  43.318  12.440  -4.662643      15.24020 
1 1 1 -17 11  30 o 40.188  7.2460  209.300    68.058   218.680    80.007   184.741    129.456  40.717  8.3777  37.146  12.317  3.570717       14.89577 
1 1 1 -17 11  31 o 20.745  7.9829  39.327     56.638   13.420     66.311   109.202    108.903  19.661  8.2454  30.528  11.211  -10.86702      13.91629 
1 1 1 -17 11  32 o 55.704  4.8763  386.978    65.245   428.512    89.405   339.658    95.430   58.070  6.4544  51.015  7.9702  7.055714       10.25589 
1 1 1 -17 11  33 o 36.825  7.2735  177.676    62.685   165.032    91.497   188.861    86.053   34.800  10.186  37.267  9.4907  -2.467434      13.92220 
1 1 1 -17 11  34 o 51.620  5.9659  338.023    73.347   368.650    102.667  306.095    104.824  52.943  8.2617  47.619  9.4060  5.324787       12.51913 
1 1 1 -17 11  35 o 14.665  6.8724  -56.3058   61.509   -43.8330   86.354   -69.1509   87.633   18.716  8.5456  17.765  8.2851  0.9514408      11.90253 
1 1 1 -17 11  36 o 38.976  10.074  210.959    95.967   223.440    218.553  207.978    106.816  40.278  15.630  38.435  10.933  1.842983       19.07469 
1 1 1 -17 11  37 o 106.265 6.9951  1449.54    179.355  1402.19    335.699  1468.45    212.176  95.989  14.896  105.760 8.3357  -9.771759      17.06988 
1 1 1 -17 11  38 o 16.850  7.4573  -12.0484   60.248   -129.5619  82.647   121.219    88.012   14.863  7.2256  30.111  10.158  -15.24755      12.46570 
1 1 1 -17 11  39 o 34.216  8.1992  159.919    67.182   131.437    94.517   189.001    95.509   31.006  10.526  36.376  10.335  -5.369558      14.75190 
1 1 1 -17 11  40 o 18.550  7.8042  14.423     59.707   48.607     84.511   -19.6440   84.367   23.595  9.5368  19.352  8.6774  4.243759       12.89372 
1 1 1 -17 11  41 o 14.814  6.8873  -43.7521   59.802   7.6961     87.575   -88.7042   81.860   21.098  9.1733  15.962  7.6118  5.135867       11.92012 
1 1 1 -17 11  42 o 87.087  7.9549  1021.65    166.238  1150.46    190.203  604.910    342.108  91.625  8.6580  51.094  19.630  40.53093       21.45447 
1 1 1 -17 11  43 o 59.514  5.7804  458.438    82.418   459.151    113.620  457.647    119.733  57.694  8.3600  57.135  8.9289  0.5583954      12.23166 
1 1 1 -17 11  44 o 25.226  8.7300  85.302     65.091   30.238     88.724   149.481    95.787   22.255  9.4460  31.727  10.598  -9.471500      14.19637 
1 1 1 -17 11  45 o 27.412  10.299  99.841     92.892   95.784     101.635  120.423    228.931  27.422  10.654  32.746  14.512  -5.324068      18.00330 
1 1 1 -17 11  46 o 41.779  10.043  259.589    100.553  198.263    112.816  496.567    221.771  35.586  11.480  50.678  16.069  -15.09228      19.74886 
1 1 1 -17 11  47 o 49.964  6.4056  329.945    75.870   263.043    104.106  405.722    110.798  41.894  10.311  53.664  8.8152  -11.77020      13.56562 
1 1 1 -17 11  48 o 27.131  8.5947  103.272    63.452   120.654    86.819   83.342     92.966   29.045  10.081  26.133  10.179  2.912605       14.32623 
1 1 1 -17 11  49 o 46.970  10.111  328.859    111.823  25.577     307.664  375.021    120.032  31.985  15.107  50.162  10.209  -18.17714      18.23278 
1 1 1 -17 11  50 o 36.525  16.417  250.966    303.939  250.966    303.939  0.0000     0.0000   36.525  16.417  ?       ?       0.000000       16.41732 
1 1 1 -17 12  1  o 104.117 3.9717  1319.06    100.337  1539.15    145.500  1119.50    138.552  112.334 5.3381  95.551  6.0066  16.78248       8.035826 
1 1 1 -17 12  2  o 160.918 9.3183  3203.02    362.280  3524.93    489.228  2812.17    539.073  167.758 12.100  148.390 15.186  19.36839       19.41716 
1 1 1 -17 12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -17 12  4  o 93.521  9.2119  1087.94    206.322  0.0000     0.0000   1087.94    206.322  ?       ?       93.521  9.2119  0.000000       9.211914 
1 1 1 -17 12  5  o 201.018 10.818  5024.38    525.703  0.0000     0.0000   5024.38    525.703  ?       ?       201.018 10.818  0.000000       10.81791 
1 1 1 -17 12  6  o 102.396 6.3765  1286.72    157.643  1494.83    207.888  1005.11    241.821  110.093 7.8334  89.248  11.429  20.84487       13.85623 
1 1 1 -17 12  7  o 114.913 4.0279  1607.02    112.309  1589.89    156.549  1625.20    161.211  114.128 5.6532  115.375 5.7586  -1.247253      8.069715 
1 1 1 -17 12  8  o 156.880 4.3599  2996.82    165.963  3018.36    232.086  2974.29    237.418  157.171 6.0857  155.984 6.2729  1.186249       8.739882 
1 1 1 -17 12  9  o 220.924 5.2464  5953.11    281.232  5646.97    395.299  6266.87    400.191  214.542 7.5936  226.109 7.2943  -11.56630      10.52951 
1 1 1 -17 12  10 o 266.546 6.7370  8696.66    435.715  8322.78    733.531  8900.49    541.619  258.452 11.697  269.035 8.2970  -10.58298      14.34085 
1 1 1 -17 12  11 f 246.510 5.7010  7420.37    340.998  7388.91    481.347  7452.05    483.147  245.183 8.0910  246.230 8.0867  -1.047043      11.43941 
1 1 1 -17 12  12 o 208.294 5.1108  5291.77    258.304  5146.39    364.660  5438.16    365.938  204.836 7.3370  210.617 7.1606  -5.780807      10.25212 
1 1 1 -17 12  13 o 33.224  6.5840  139.792    51.201   139.116    72.310   140.471    72.509   33.025  8.8461  33.178  8.8455  -0.1529236     12.50989 
1 1 1 -17 12  14 o 36.805  9.2958  173.821    83.038   -161.5436  163.451  290.488    96.406   23.806  11.171  47.851  8.6203  -24.04489      14.11042 
1 1 1 -17 12  15 o 136.026 6.1698  2263.94    203.637  2501.53    328.184  2115.20    259.672  141.835 9.5925  130.807 8.2233  11.02779       12.63483 
1 1 1 -17 12  16 o 108.355 6.1593  1441.57    161.267  1286.35    263.355  1534.69    203.986  101.034 10.916  111.476 7.5866  -10.44202      13.29356 
1 1 1 -17 12  17 o 91.025  6.2112  1019.34    136.363  1045.95    226.183  1004.15    170.917  91.095  10.420  89.954  7.9111  1.140823       13.08327 
1 1 1 -17 12  18 o 122.482 4.3084  1828.91    128.042  1671.61    176.085  2005.41    186.521  116.624 6.2453  127.963 6.0073  -11.33938      8.665503 
1 1 1 -17 12  19 o 135.781 4.3649  2248.76    143.804  2069.29    199.819  2441.58    207.117  129.864 6.3414  141.135 6.0481  -11.27081      8.763126 
1 1 1 -17 12  20 o 30.260  7.4803  117.413    54.610   84.889     68.545   173.934    90.360   26.825  8.9649  36.690  9.9146  -9.864531      13.36665 
1 1 1 -17 12  21 o 66.251  4.6165  538.924    73.748   504.887    96.256   587.301    114.755  63.780  6.3023  68.668  6.9846  -4.888512      9.407617 
1 1 1 -17 12  22 f 44.120  5.4686  242.368    57.289   253.589    76.400   227.953    86.592   44.726  7.2912  41.999  8.7798  2.727222       11.41253 
1 1 1 -17 12  23 o 94.433  4.2240  1090.08    96.785   1109.41    135.753  1070.09    138.025  94.743  5.9352  92.979  6.1528  1.764236       8.548888 
1 1 1 -17 12  24 o 121.546 4.2631  1807.76    125.728  1679.41    176.947  1938.64    178.679  116.409 6.2879  125.389 5.8729  -8.980110      8.604003 
1 1 1 -17 12  25 o 110.430 4.2614  1493.66    114.182  1466.18    159.700  1522.41    163.317  108.717 6.0784  110.779 6.0994  -2.062469      8.610982 
1 1 1 -17 12  26 o 93.068  4.1975  1061.69    94.787   1011.82    133.764  1111.97    134.337  90.134  6.1531  94.611  5.8809  -4.477745      8.511467 
1 1 1 -17 12  27 o 80.942  4.2992  806.523    84.133   842.793    117.299  768.094    120.740  82.223  5.9191  78.294  6.4119  3.929466       8.726269 
1 1 1 -17 12  28 o 19.108  7.2097  34.731     45.627   -6.4822    58.944   96.338     72.068   17.277  7.5190  27.782  9.1886  -10.50506      11.87290 
1 1 1 -17 12  29 o 40.310  7.5572  211.627    71.200   216.993    85.030   199.037    130.248  40.371  8.9182  38.265  12.334  2.105633       15.22062 
1 1 1 -17 12  30 o 39.275  7.7557  202.371    71.287   285.825    84.810   1.4656     131.588  46.871  7.7266  25.713  11.211  21.15825       13.61586 
1 1 1 -17 12  31 o 85.065  4.3798  894.849    90.093   819.319    124.916  976.730    130.062  80.496  6.4497  88.101  6.1222  -7.604813      8.892714 
1 1 1 -17 12  32 o 47.061  6.3007  282.778    70.142   316.374    99.422   249.486    98.971   48.803  8.7157  42.784  9.7507  6.018803       13.07824 
1 1 1 -17 12  33 o 88.190  4.6045  964.978    98.187   983.658    139.900  946.845    137.839  88.030  6.5977  86.340  6.6301  1.689392       9.353531 
1 1 1 -17 12  34 o 80.264  4.7577  801.655    92.244   837.487    131.051  766.469    129.863  81.053  6.7243  77.367  6.9934  3.685722       9.701747 
1 1 1 -17 12  35 o 109.608 6.8634  1534.04    181.615  1809.02    335.772  1420.33    215.926  112.966 12.457  103.960 8.6382  9.005371       15.15909 
1 1 1 -17 12  36 o 78.317  7.1436  791.530    134.256  957.346    269.396  736.740    154.856  79.529  14.495  74.461  8.7371  5.067467       16.92428 
1 1 1 -17 12  37 o 65.426  5.7005  543.050    89.592   584.438    119.354  489.630    135.598  66.873  7.4840  59.755  9.6837  7.118423       12.23861 
1 1 1 -17 12  38 o 66.156  5.4755  554.948    87.104   490.520    120.067  626.528    126.556  60.450  8.4140  68.929  7.6983  -8.479084      11.40434 
1 1 1 -17 12  39 o 12.701  6.1074  -74.5631   55.156   -53.6299   79.108   -94.3656   76.942   17.081  7.9346  15.171  7.2735  1.910633       10.76394 
1 1 1 -17 12  40 o 71.998  5.2322  658.113    90.779   531.768    126.273  793.262    130.599  62.427  8.5619  77.767  6.9960  -15.34060      11.05668 
1 1 1 -17 12  41 o 59.505  5.8087  456.885    82.799   345.149    113.423  584.363    121.149  48.981  9.8843  65.937  7.7183  -16.95580      12.54081 
1 1 1 -17 12  42 o 30.272  8.7146  130.053    67.473   22.396     92.980   249.805    98.064   22.227  9.5576  41.264  9.9173  -19.03626      13.77323 
1 1 1 -17 12  43 o 56.130  6.2105  413.325    83.166   470.100    117.948  357.189    117.283  57.990  8.6468  49.207  10.160  8.783230       13.34115 
1 1 1 -17 12  44 o 16.882  7.4707  -6.6860    60.445   40.898     81.744   -64.0901   89.784   22.332  9.2426  17.627  8.2740  4.704866       12.40501 
1 1 1 -17 12  45 o 22.489  9.3048  42.106     82.814   62.416     88.877   -91.7035   228.125  24.345  9.8009  26.843  12.775  -2.498638      16.10134 
1 1 1 -17 12  46 o 67.586  7.8319  623.716    126.055  632.110    141.769  592.021    275.470  66.955  8.9504  52.030  17.962  14.92570       20.06850 
1 1 1 -17 12  47 o 62.409  5.7711  505.830    86.402   591.930    121.893  418.883    122.491  65.868  7.7767  53.645  9.7705  12.22321       12.48758 
1 1 1 -17 12  48 o 29.675  10.275  128.720    90.171   183.962    287.853  122.709    94.950   35.339  15.922  29.197  10.505  6.142681       19.07523 
1 1 1 -17 12  49 o 29.859  11.772  127.429    125.597  43.131     317.101  143.115    136.783  32.037  15.192  31.023  12.268  1.014643       19.52701 
1 1 1 -17 13  1  o 86.067  6.2639  910.211    129.916  1088.05    173.477  683.101    196.042  93.863  7.6844  73.322  11.389  20.54039       13.73871 
1 1 1 -17 13  2  o 143.894 9.5925  2567.48    332.997  0.0000     0.0000   2567.48    332.997  ?       ?       143.894 9.5925  0.000000       9.592476 
1 1 1 -17 13  3  o 79.404  9.6125  789.318    181.429  0.0000     0.0000   789.318    181.429  ?       ?       79.404  9.6125  0.000000       9.612519 
1 1 1 -17 13  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -17 13  5  o 121.004 6.1002  1793.75    178.529  1923.84    236.554  1621.59    272.123  124.940 7.8429  114.111 9.9271  10.82856       12.65138 
1 1 1 -17 13  6  o 153.520 4.3494  2869.99    162.016  3087.23    228.135  2648.94    230.130  158.975 5.9143  147.164 6.4448  11.81052       8.747202 
1 1 1 -17 13  7  o 117.327 3.9875  1675.32    113.518  1618.89    157.847  1735.77    163.374  115.152 5.6494  119.237 5.6469  -4.084488      7.987669 
1 1 1 -17 13  8  o 91.417  3.9299  1017.03    87.171   1132.73    121.725  895.216    124.893  96.223  5.2333  85.376  6.0684  10.84715       8.013306 
1 1 1 -17 13  9  o 105.673 3.9910  1359.14    102.332  1309.95    142.495  1411.52    147.052  103.416 5.7007  107.368 5.6646  -3.952019      8.036554 
1 1 1 -17 13  10 f 87.437  4.1663  930.850    88.392   930.289    124.079  931.429    125.952  87.058  5.9089  87.096  5.9965  -0.3865051E-01 8.418569 
1 1 1 -17 13  11 o 210.150 5.2232  5388.67    266.335  5303.30    375.964  5474.68    377.348  207.865 7.4542  211.226 7.3626  -3.361908      10.47725 
1 1 1 -17 13  12 o 51.235  4.8699  322.948    59.814   261.807    84.570   384.145    84.609   45.509  7.9480  55.673  6.3785  -10.16367      10.19095 
1 1 1 -17 13  13 o 132.670 6.0437  2152.75    194.554  2404.69    310.615  1990.10    249.575  139.179 9.2505  126.893 8.1490  12.28629       12.32791 
1 1 1 -17 13  14 o 114.051 6.1185  1596.16    168.700  1483.19    278.127  1661.92    212.191  108.665 10.687  116.037 7.5781  -7.371971      13.10086 
1 1 1 -17 13  15 o 93.309  6.1845  1070.55    139.226  802.993    238.804  1208.33    171.363  78.880  12.925  98.934  7.1876  -20.05343      14.78887 
1 1 1 -17 13  16 o 90.903  6.0345  1016.11    132.346  948.502    228.381  1050.29    162.392  86.422  11.151  92.139  7.3241  -5.717514      13.34142 
1 1 1 -17 13  17 o 8.9226  4.4388  -95.0060   37.731   -66.8885   48.302   -139.0182  60.432   12.104  5.7925  11.632  5.7573  0.4721088      8.166944 
1 1 1 -17 13  18 o 29.629  7.4129  112.393    53.161   134.899    66.575   72.790     88.311   32.414  8.3970  27.143  10.072  5.271599       13.11330 
1 1 1 -17 13  19 o 63.040  4.7697  488.315    72.417   404.505    94.823   605.609    112.177  56.891  7.0180  69.850  6.7009  -12.95956      9.703351 
1 1 1 -17 13  20 o 78.463  4.4360  754.406    84.108   618.261    111.978  930.641    127.403  70.551  6.6187  86.816  6.0865  -16.26554      8.991800 
1 1 1 -17 13  21 o 111.923 4.2058  1530.23    114.218  1346.71    157.967  1731.30    165.344  104.384 6.2658  118.700 5.7408  -14.31522      8.498127 
1 1 1 -17 13  22 o 116.348 4.2926  1655.39    121.184  1413.15    166.323  1929.51    176.929  106.786 6.4493  125.198 5.8242  -18.41140      8.689972 
1 1 1 -17 13  23 o 61.480  4.6556  465.908    68.934   446.700    93.814   488.449    101.629  59.721  6.5835  62.411  6.8222  -2.689774      9.480781 
1 1 1 -17 13  24 o 27.614  7.1882  98.545     48.632   57.097     62.587   161.702    77.258   23.301  8.5074  35.097  9.0223  -11.79652      12.40075 
1 1 1 -17 13  25 o 25.482  7.4296  83.071     48.763   74.781     63.768   94.746     75.671   25.182  8.6451  27.920  9.4189  -2.738016      12.78488 
1 1 1 -17 13  26 o 28.430  7.7652  105.247    55.081   139.434    65.999   26.790     99.982   32.563  8.3219  24.409  10.172  8.153648       13.14232 
1 1 1 -17 13  27 o 89.257  4.2603  979.063    92.267   928.429    127.840  1034.12    133.303  86.120  6.1585  90.948  6.0756  -4.827690      8.651021 
1 1 1 -17 13  28 o 29.652  8.5014  115.655    64.329   161.929    76.254   1.4255     119.807  34.819  8.9704  24.732  10.741  10.08689       13.99446 
1 1 1 -17 13  29 o 27.752  8.5155  100.060    62.820   107.642    74.095   80.677     118.469  28.891  9.3019  29.057  11.440  -0.1653175     14.74478 
1 1 1 -17 13  30 f 52.194  6.6300  348.081    82.071   384.793    98.055   262.198    149.976  54.494  7.6246  42.771  13.163  11.72276       15.21186 
1 1 1 -17 13  31 o 78.011  4.7571  756.380    89.616   705.242    130.012  802.670    123.696  74.120  7.3249  79.586  6.4613  -5.465683      9.767445 
1 1 1 -17 13  32 o 112.611 4.5556  1569.07    124.477  1625.02    177.588  1515.05    174.526  113.311 6.4861  109.310 6.6112  4.000702       9.261627 
1 1 1 -17 13  33 o 131.628 4.6892  2148.03    149.767  2106.89    212.714  2188.47    210.902  128.663 6.8382  131.310 6.6410  -2.646744      9.532246 
1 1 1 -17 13  34 o 122.507 6.9069  1916.80    204.471  1713.80    358.043  2015.04    249.084  107.937 14.001  124.244 8.3104  -16.30711      16.28151 
1 1 1 -17 13  35 o 48.722  9.6012  325.595    109.468  142.734    244.066  371.644    122.478  37.112  15.704  51.833  10.101  -14.72150      18.67269 
1 1 1 -17 13  36 o 76.188  7.4585  756.638    136.111  997.293    271.166  675.582    157.373  80.809  14.356  70.546  9.4297  10.26295       17.17562 
1 1 1 -17 13  37 o 43.627  7.1909  251.479    73.468   277.432    101.244  222.613    106.776  44.536  9.6481  39.216  10.853  5.319981       14.52163 
1 1 1 -17 13  38 o 37.491  8.2184  192.578    72.701   173.046    102.274  212.528    103.363  34.576  10.907  38.170  10.719  -3.594772      15.29275 
1 1 1 -17 13  39 o 30.683  8.7386  131.542    68.195   61.666     93.103   212.427    100.169  25.037  10.048  38.050  10.505  -13.01326      14.53665 
1 1 1 -17 13  40 o 53.617  6.2054  374.685    79.238   321.022    113.777  425.225    110.417  46.891  10.283  55.629  8.4458  -8.738068      13.30701 
1 1 1 -17 13  41 o 21.045  8.3852  41.545     64.350   -14.3086   88.102   105.417    94.214   19.762  8.8639  28.078  10.406  -8.315971      13.66979 
1 1 1 -17 13  42 o 42.202  7.4975  243.589    73.961   221.916    108.091  262.670    101.421  37.878  11.067  42.047  10.073  -4.169697      14.96462 
1 1 1 -17 13  43 o 33.371  8.3879  158.663    67.841   180.444    95.743   136.700    96.141   34.437  10.503  30.468  10.606  3.968391       14.92662 
1 1 1 -17 13  44 o 22.848  9.6529  37.284     91.972   3.6434     100.303  214.935    230.496  21.656  9.6014  35.914  15.233  -14.25771      18.00647 
1 1 1 -17 13  45 o 42.308  9.8983  265.646    99.808   253.663    109.053  327.458    247.686  40.545  10.865  40.465  16.337  0.8039474E-01  19.61966 
1 1 1 -17 13  46 o 16.772  7.4976  -12.4970   62.472   -44.2606   87.371   20.729     89.360   18.158  8.4009  21.655  9.3407  -3.497526      12.56279 
1 1 1 -17 13  47 o 56.296  6.0813  416.227    81.749   491.769    111.213  327.433    120.574  59.801  7.8544  46.092  10.944  13.70955       13.47105 
1 1 1 -17 13  48 o 27.262  11.192  88.174     118.595  -49.3753   256.342  125.632    133.772  28.476  13.549  29.950  12.036  -1.473932      18.12284 
1 1 1 -17 13  49 o 29.186  13.774  10.322     254.827  10.322     254.827  0.0000     0.0000   29.186  13.774  ?       ?       0.000000       13.77359 
1 1 1 -17 14  1  o 221.959 7.8567  6050.95    423.131  6703.17    573.287  5270.46    627.125  232.663 10.155  204.796 12.683  27.86726       16.24731 
1 1 1 -17 14  2  o 212.437 11.241  5628.37    577.370  0.0000     0.0000   5628.37    577.370  ?       ?       212.437 11.241  0.000000       11.24107 
1 1 1 -17 14  3  o 37.610  11.987  173.964    123.277  0.0000     0.0000   173.964    123.277  ?       ?       37.610  11.987  0.000000       11.98672 
1 1 1 -17 14  4  o 145.000 4.3612  2560.57    153.441  2803.81    219.742  2329.11    214.355  151.477 5.9787  137.987 6.4023  13.48973       8.759754 
1 1 1 -17 14  5  o 132.657 4.5844  2144.10    147.563  2228.12    185.480  1999.22    243.561  135.081 5.6590  127.324 7.9231  7.757111       9.736472 
1 1 1 -17 14  6  o 48.160  4.4461  284.907    51.369   290.090    72.108   279.566    73.197   48.305  6.3024  47.361  6.5445  0.9440231      9.085706 
1 1 1 -17 14  7  o 46.451  4.5317  265.349    50.425   271.008    71.505   259.752    71.121   46.623  6.4973  45.603  6.6210  1.019825       9.276441 
1 1 1 -17 14  8  o 135.428 4.2618  2233.59    140.043  2158.52    197.218  2309.94    198.895  132.866 6.1174  137.474 5.9626  -4.607803      8.542609 
1 1 1 -17 14  9  o 91.856  4.1278  1027.37    92.001   1060.86    128.389  992.033    131.900  93.015  5.7164  89.871  6.0845  3.144089       8.348548 
1 1 1 -17 14  10 o 88.514  4.1513  954.090    89.158   924.779    124.418  985.029    127.827  86.775  5.9450  89.575  5.9146  -2.799973      8.385968 
1 1 1 -17 14  11 o 23.958  8.9914  53.217     70.767   -144.3822  165.341  97.533     78.302   24.488  11.407  28.786  9.5806  -4.298166      14.89655 
1 1 1 -17 14  12 o 120.326 6.1401  1776.24    178.671  2046.71    295.592  1620.54    224.280  128.206 9.5711  114.432 8.1305  13.77471       12.55828 
1 1 1 -17 14  13 o 61.026  7.0139  462.912    101.970  271.482    185.148  546.258    122.168  46.276  14.684  66.196  7.7529  -19.91964      16.60474 
1 1 1 -17 14  14 o 118.627 6.0685  1727.33    174.091  1792.94    286.726  1689.02    219.101  119.712 9.9616  116.868 7.7708  2.843468       12.63401 
1 1 1 -17 14  15 o 163.458 4.5572  3259.19    180.744  3216.35    255.583  3302.06    255.637  161.924 6.5051  164.091 6.4206  -2.166718      9.140069 
1 1 1 -17 14  16 o 107.772 4.1043  1415.76    107.326  1467.50    152.692  1365.24    150.889  109.325 5.7767  105.403 5.9239  3.921524       8.274171 
1 1 1 -17 14  17 o 28.252  7.3104  102.054    50.497   71.936     71.332   132.311    71.496   25.707  9.1206  32.147  8.8746  -6.439877      12.72576 
1 1 1 -17 14  18 o 110.542 4.2452  1491.23    113.865  1664.24    159.014  1309.18    163.122  116.520 5.6244  102.955 6.5640  13.56471       8.644074 
1 1 1 -17 14  19 o 89.332  4.2372  974.466    91.844   911.621    126.713  1044.03    133.312  85.895  6.1198  91.979  6.0063  -6.083466      8.574846 
1 1 1 -17 14  20 o 32.860  6.7805  138.113    52.268   144.991    65.267   125.813    87.276   33.481  8.1180  31.725  10.083  1.756340       12.94482 
1 1 1 -17 14  21 f 36.847  6.3628  172.193    54.831   175.832    68.820   165.869    90.729   36.893  7.9244  35.665  10.052  1.227440       12.80018 
1 1 1 -17 14  22 o 97.368  4.2516  1160.40    100.446  1027.41    137.548  1312.36    147.030  90.945  6.2715  102.964 5.9099  -12.01894      8.617338 
1 1 1 -17 14  23 o 64.926  4.6236  519.889    72.363   522.668    94.559   515.961    112.415  64.716  6.0936  63.884  7.3886  0.8321228      9.577186 
1 1 1 -17 14  24 o 29.212  7.2698  110.901    51.324   96.103     67.736   130.849    78.645   27.690  8.8916  31.716  9.4848  -4.026075      13.00089 
1 1 1 -17 14  25 o 50.265  4.9585  314.380    59.688   223.650    80.993   422.227    88.304   41.323  8.3649  57.893  6.3929  -16.57014      10.52810 
1 1 1 -17 14  26 o 55.557  4.7244  383.112    63.083   366.726    85.523   402.666    93.426   53.740  6.7046  56.239  6.9978  -2.499229      9.691239 
1 1 1 -17 14  27 o 45.033  7.2250  261.644    76.278   256.224    89.869   275.610    144.257  43.999  8.7261  44.205  12.747  -0.2064667     15.44796 
1 1 1 -17 14  28 o 62.563  6.1257  494.030    91.797   489.821    111.119  503.075    162.903  61.672  7.5856  60.371  11.542  1.300888       13.81119 
1 1 1 -17 14  29 o 37.649  7.6226  186.544    67.246   99.777     78.407   427.899    130.769  28.179  9.5873  56.331  9.9302  -28.15193      13.80307 
1 1 1 -17 14  30 o 33.455  7.6160  148.287    60.436   182.987    85.091   112.963    85.852   36.646  9.4932  29.663  10.032  6.982487       13.81199 
1 1 1 -17 14  31 o 81.670  4.7021  829.095    92.785   832.659    129.387  825.323    133.128  80.891  6.6511  80.395  6.8912  0.4956436      9.577332 
1 1 1 -17 14  32 o 93.877  4.6087  1092.04    104.978  991.952    146.643  1197.26    150.349  88.095  6.9159  97.164  6.4133  -9.069191      9.431855 
1 1 1 -17 14  33 o 57.223  7.2026  424.374    97.790   599.708    210.915  376.362    110.370  63.137  14.121  52.978  8.9017  10.15941       16.69285 
1 1 1 -17 14  34 o 22.627  9.4149  29.138     85.471   -105.9142  175.136  71.360     97.924   24.898  11.645  26.589  10.422  -1.691010      15.62814 
1 1 1 -17 14  35 o 32.978  10.507  151.143    94.733   -75.9425   191.809  224.408    108.948  26.805  12.418  39.524  10.972  -12.71880      16.57049 
1 1 1 -17 14  36 o 41.305  7.3919  226.952    71.364   249.767    100.476  203.727    101.378  42.002  10.002  37.627  10.633  4.374771       14.59817 
1 1 1 -17 14  37 o 49.929  6.4196  324.239    75.971   294.015    102.354  361.317    113.366  45.756  9.5287  50.844  9.5396  -5.087898      13.48333 
1 1 1 -17 14  38 o 51.057  6.2605  339.157    75.933   282.776    102.155  408.772    113.512  44.525  9.7277  54.384  8.9109  -9.859238      13.19212 
1 1 1 -17 14  39 o 53.533  6.3278  374.559    80.603   386.750    110.637  360.770    117.667  52.609  8.9900  49.967  10.053  2.641743       13.48670 
1 1 1 -17 14  40 o ?       ?       -194.7367  51.528   -188.1447  72.476   -201.4746  73.274   11.836  5.9284  11.662  5.8575  0.1746750      8.334047 
1 1 1 -17 14  41 o 25.358  8.7020  86.980     64.608   152.502    86.732   5.2947     96.840   32.076  10.033  21.506  9.4895  10.57013       13.80982 
1 1 1 -17 14  42 o 42.323  7.4909  245.869    74.111   228.684    102.054  265.044    107.798  38.644  10.576  41.635  10.633  -2.991390      14.99708 
1 1 1 -17 14  43 o 47.560  9.4774  329.565    105.528  297.616    116.184  480.165    252.247  43.862  10.951  47.193  17.102  -3.330753      20.30767 
1 1 1 -17 14  44 o 19.357  8.7436  -17.7435   87.457   14.856     94.704   -206.6156  227.956  21.735  9.4930  24.437  11.906  -2.701757      15.22767 
1 1 1 -17 14  45 o 27.508  8.8176  107.189    66.635   95.940     89.289   121.331    100.111  26.882  10.098  29.198  10.745  -2.315516      14.74470 
1 1 1 -17 14  46 o 21.967  8.5271  53.344     65.061   -28.8407   90.254   142.250    93.872   19.103  8.7277  30.848  10.490  -11.74532      13.64620 
1 1 1 -17 14  47 o 53.187  9.5071  413.880    118.190  876.123    255.133  287.578    133.363  68.687  15.657  41.462  12.340  27.22514       19.93519 
1 1 1 -17 14  48 o 21.189  10.475  -270.0849  197.750  -270.0849  197.750  0.0000     0.0000   21.189  10.475  ?       ?       0.000000       10.47462 
1 1 1 -17 15  1  o 289.657 13.673  10576.01   960.978  0.0000     0.0000   10576.01   960.978  ?       ?       289.657 13.673  0.000000       13.67305 
1 1 1 -17 15  2  o 192.266 6.9828  4530.44    325.758  0.0000     0.0000   4530.44    325.758  ?       ?       192.266 6.9828  0.000000       6.982800 
1 1 1 -17 15  3  o 122.773 5.7129  1841.22    170.186  0.0000     0.0000   1841.22    170.186  ?       ?       122.773 5.7129  0.000000       5.712889 
1 1 1 -17 15  4  o 49.645  5.0031  303.585    59.445   369.097    98.906   266.538    74.378   54.294  7.7256  46.158  6.8487  8.136211       10.32419 
1 1 1 -17 15  5  o 103.243 3.9110  1297.37    97.975   1265.18    136.740  1331.34    140.450  101.636 5.5659  104.266 5.5717  -2.630508      7.875508 
1 1 1 -17 15  6  o 94.573  3.8740  1088.59    88.897   1148.24    124.249  1026.04    127.241  96.850  5.3075  91.460  5.7632  5.390327       7.834733 
1 1 1 -17 15  7  o 117.801 4.0726  1689.66    116.407  1735.70    163.506  1642.34    165.766  119.196 5.6534  115.760 5.9215  3.436691       8.186855 
1 1 1 -17 15  8  o 161.038 4.5219  3160.49    176.691  3025.94    248.044  3299.11    251.754  157.194 6.5032  164.178 6.3197  -6.984695      9.068106 
1 1 1 -17 15  9  o 103.515 4.1185  1304.99    103.443  1209.51    145.833  1401.67    146.753  99.250  6.0850  106.950 5.6754  -7.699699      8.320912 
1 1 1 -17 15  10 f 110.926 6.0891  1510.07    163.262  1597.76    272.030  1460.71    204.109  113.035 10.022  108.696 7.7907  4.338730       12.69414 
1 1 1 -17 15  11 o 68.129  6.7391  574.607    109.943  434.109    204.625  631.626    130.357  57.289  14.660  71.262  7.6592  -13.97309      16.54008 
1 1 1 -17 15  12 o 103.112 6.1559  1306.54    153.313  1377.04    261.678  1269.70    189.183  104.651 10.445  101.263 7.7586  3.388222       13.01116 
1 1 1 -17 15  13 o 94.121  6.2301  1090.21    141.477  1168.63    248.085  1052.42    172.227  96.142  10.823  92.103  7.7794  4.038986       13.32869 
1 1 1 -17 15  14 f 114.209 4.1818  1590.04    115.884  1584.75    162.964  1595.44    164.821  113.594 5.9331  113.967 5.9812  -0.3725128     8.424753 
1 1 1 -17 15  15 o 28.302  7.2081  102.404    49.634   37.051     69.493   170.459    70.915   22.333  8.7720  36.428  8.2185  -14.09542      12.02047 
1 1 1 -17 15  16 o 42.965  5.4978  229.656    56.001   226.432    77.004   233.275    81.588   42.161  7.8150  42.730  8.1669  -0.5686836     11.30364 
1 1 1 -17 15  17 o 80.783  4.1708  798.528    81.475   725.899    115.156  871.326    115.290  76.597  6.2505  84.097  5.6833  -7.500572      8.447994 
1 1 1 -17 15  18 o 16.388  6.7918  9.0676     44.224   -32.8245   60.533   57.020     64.764   15.993  7.2446  23.618  8.6494  -7.625239      11.28258 
1 1 1 -17 15  19 o 62.327  4.5856  477.891    68.861   518.605    91.958   425.917    103.899  64.653  5.9279  58.119  7.5457  6.533451       9.595745 
1 1 1 -17 15  20 o 64.598  4.6095  513.700    71.776   505.500    96.831   523.700    106.931  63.666  6.3531  64.651  6.9242  -0.9857635     9.397119 
1 1 1 -17 15  21 o 54.766  5.0499  371.568    66.349   303.964    89.199   455.300    99.270   48.758  7.8028  60.167  6.9262  -11.40974      10.43342 
1 1 1 -17 15  22 o 61.087  4.6651  460.804    68.625   421.864    92.960   507.440    101.732  57.876  6.7463  63.556  6.6977  -5.680412      9.506395 
1 1 1 -17 15  23 o 71.622  4.5072  632.518    77.928   580.479    102.730  703.047    119.597  68.078  6.2902  74.839  6.6556  -6.760986      9.157735 
1 1 1 -17 15  24 o 122.954 4.3667  1857.72    130.276  1725.72    179.477  2004.71    189.399  117.536 6.3164  126.934 6.1494  -9.398117      8.815441 
1 1 1 -17 15  25 o 33.462  6.4775  144.407    50.693   153.233    68.040   133.395    75.999   34.039  8.3104  31.778  9.2781  2.260803       12.45577 
1 1 1 -17 15  26 o 24.155  8.4720  68.274     61.398   91.683     70.965   -1.4106    122.442  27.153  9.1215  24.803  10.815  2.350042       14.14776 
1 1 1 -17 15  27 o 49.078  6.6397  308.013    77.038   325.512    91.373   264.996    143.265  50.023  7.7810  43.154  12.778  6.868523       14.96076 
1 1 1 -17 15  28 o 21.534  8.0631  47.531     56.845   30.728     64.024   110.107    123.551  20.710  8.3252  31.157  11.838  -10.44781      14.47225 
1 1 1 -17 15  29 o 40.926  6.6133  216.277    63.432   310.685    90.380   124.629    89.048   48.657  7.9283  30.829  10.215  17.82848       12.93054 
1 1 1 -17 15  30 o 33.628  7.6128  150.161    60.671   202.060    85.610   97.795     85.994   38.512  9.2726  28.215  10.014  10.29694       13.64766 
1 1 1 -17 15  31 o 31.920  8.0923  136.693    62.763   163.931    86.522   106.444    91.180   34.543  9.8448  29.154  10.315  5.388388       14.25911 
1 1 1 -17 15  32 o 38.696  9.3457  205.570    86.761   -172.6420  190.652  304.351    97.434   24.434  11.642  47.583  8.7620  -23.14884      14.57078 
1 1 1 -17 15  33 f 30.117  10.246  119.753    89.555   155.880    172.329  106.387    104.820  35.273  13.826  29.565  10.973  5.708572       17.65130 
1 1 1 -17 15  34 o 19.072  8.5334  -20.6494   81.118   111.788    161.077  -65.6489   93.893   32.267  13.122  18.513  8.6146  13.75413       15.69672 
1 1 1 -17 15  35 o 42.849  6.8659  241.194    68.974   335.188    95.737   139.753    99.458   49.935  8.1852  31.811  10.798  18.12359       13.54967 
1 1 1 -17 15  36 o 15.886  7.0949  -15.3345   55.801   33.388     80.963   -59.4202   77.014   22.201  9.1942  16.551  7.7349  5.650232       12.01511 
1 1 1 -17 15  37 o 57.596  5.8385  427.088    80.467   378.640    108.566  486.147    119.867  52.320  8.8686  59.668  8.5214  -7.347195      12.29904 
1 1 1 -17 15  38 o 60.262  5.8008  468.570    83.771   475.783    115.282  460.500    121.938  58.991  8.2821  57.423  9.0514  1.568626       12.26872 
1 1 1 -17 15  39 o 21.999  8.5087  52.195     64.599   98.898     87.523   -3.6933    95.744   27.303  10.046  21.044  9.3530  6.258644       13.72626 
1 1 1 -17 15  40 o 20.788  8.2824  41.252     62.778   54.542     84.496   24.877     93.795   23.517  9.5251  22.303  9.5950  1.213911       13.51999 
1 1 1 -17 15  41 o 25.380  8.5435  88.442     62.257   102.443    86.416   73.334     89.769   27.313  9.9929  25.123  9.9373  2.190649       14.09283 
1 1 1 -17 15  42 f 64.459  8.4869  582.262    129.512  503.667    143.720  921.848    298.741  57.796  10.641  66.414  18.061  -8.618080      20.96260 
1 1 1 -17 15  43 o 28.963  10.387  120.962    92.749   104.504    99.763   225.806    251.804  27.803  10.620  36.148  15.636  -8.344774      18.90111 
1 1 1 -17 15  44 o 53.334  6.1319  374.497    77.908   159.735    106.807  618.696    113.892  32.272  11.182  67.918  7.0119  -35.64578      13.19873 
1 1 1 -17 15  45 o 19.612  7.9906  31.627     59.880   23.425     86.043   39.330     83.385   21.445  9.2070  22.248  9.2817  -0.8024654     13.07359 
1 1 1 -17 15  46 o 57.945  8.8629  479.802    120.650  110.443    266.045  575.429    135.370  32.472  14.891  63.302  9.0728  -30.82970      17.43729 
1 1 1 -17 15  47 o 20.578  10.213  -298.8253  195.015  -298.8253  195.015  0.0000     0.0000   20.578  10.213  ?       ?       0.000000       10.21271 
1 1 1 -17 16  1  o 44.651  6.5666  249.216    69.019   0.0000     0.0000   249.216    69.019   ?       ?       44.651  6.5666  0.000000       6.566638 
1 1 1 -17 16  2  o 141.930 5.9424  2462.84    204.644  0.0000     0.0000   2462.84    204.644  ?       ?       141.930 5.9424  0.000000       5.942381 
1 1 1 -17 16  3  f 109.168 4.1641  1451.39    110.303  1617.77    160.064  1300.93    152.214  115.059 5.7333  102.950 6.1211  12.10923       8.386809 
1 1 1 -17 16  4  o 116.663 3.9939  1657.06    113.055  1625.65    158.105  1689.92    161.725  115.348 5.6490  117.603 5.6675  -2.255020      8.002011 
1 1 1 -17 16  5  o 176.212 4.7056  3785.82    201.195  3528.04    281.826  4053.75    287.319  169.638 6.8469  181.929 6.5088  -12.29143      9.446919 
1 1 1 -17 16  6  f 112.420 4.1243  1539.22    112.501  1423.59    157.061  1661.05    161.223  107.713 6.0338  116.579 5.6995  -8.866402      8.300050 
1 1 1 -17 16  7  o 76.552  4.2003  716.002    77.721   671.170    107.327  765.435    112.698  73.826  6.0445  78.892  5.9308  -5.065758      8.468150 
1 1 1 -17 16  8  o 65.210  6.2965  525.437    98.388   686.306    170.507  445.135    120.467  73.787  9.7633  59.473  8.5975  14.31379       13.00923 
1 1 1 -17 16  9  o 102.862 7.4813  1307.71    185.445  0.0000     0.0000   1307.71    185.445  ?       ?       102.862 7.4813  0.000000       7.481349 
1 1 1 -17 16  10 o 141.301 6.2435  2445.99    214.062  2599.94    342.633  2347.42    274.150  144.335 9.8422  137.696 8.2433  6.638809       12.83829 
1 1 1 -17 16  11 f 89.439  6.1428  984.503    132.500  1074.32    235.802  943.061    160.179  92.158  10.747  87.184  7.6492  4.973862       13.19113 
1 1 1 -17 16  12 o 96.801  6.1218  1152.89    143.047  1186.76    250.327  1136.47    174.311  96.820  10.842  95.757  7.5638  1.063156       13.21947 
1 1 1 -17 16  13 o 142.872 4.4039  2490.27    152.669  2339.17    214.959  2644.06    216.867  138.040 6.4178  146.848 6.0864  -8.807388      8.844907 
1 1 1 -17 16  14 o 105.895 4.2068  1367.84    108.093  1287.07    151.615  1451.33    154.149  102.233 6.1405  108.650 5.8690  -6.416794      8.494163 
1 1 1 -17 16  15 o 142.171 4.4204  2467.98    152.489  2514.16    216.600  2422.59    214.716  143.041 6.2407  140.394 6.3031  2.646866       8.869898 
1 1 1 -17 16  16 o 71.268  4.2978  622.496    73.972   533.741    103.201  716.280    106.085  65.506  6.5819  76.170  5.7831  -10.66331      8.761615 
1 1 1 -17 16  17 o 59.726  4.5632  438.793    65.630   438.322    92.921   439.263    92.708   59.262  6.5728  59.332  6.5488  -0.7033920E-01 9.278394 
1 1 1 -17 16  18 o 58.986  4.5623  428.387    64.790   485.494    91.992   372.175    91.267   62.465  6.1492  54.373  7.0862  8.091381       9.382225 
1 1 1 -17 16  19 o 11.970  5.6221  -42.9970   41.559   6.6085     55.295   -107.3966  63.004   17.843  7.5086  12.990  6.3134  4.853208       9.810125 
1 1 1 -17 16  20 o 37.852  5.9390  181.042    52.751   222.456    69.336   124.131    81.281   41.737  7.1009  31.189  9.7056  10.54824       12.02586 
1 1 1 -17 16  21 o 93.329  4.2480  1067.76    96.197   987.529    132.751  1156.47    139.595  89.044  6.1826  96.464  5.9937  -7.420296      8.610941 
1 1 1 -17 16  22 o 79.529  4.3885  778.976    84.358   797.775    114.960  757.042    124.172  79.986  5.9663  77.650  6.6548  2.336029       8.937702 
1 1 1 -17 16  23 o 23.800  7.6421  70.365     50.037   89.969     64.751   41.307     78.835   26.799  8.7023  23.289  9.2806  3.510878       12.72239 
1 1 1 -17 16  24 o 74.529  4.4447  686.234    80.011   618.034    108.526  767.443    118.426  70.012  6.4614  78.144  6.2993  -8.132408      9.023879 
1 1 1 -17 16  25 f 105.011 6.0644  1382.00    153.863  1254.29    184.436  1674.34    279.041  99.039  7.7364  112.327 10.355  -13.28868      12.92557 
1 1 1 -17 16  26 o 58.115  6.2602  428.059    86.882   483.095    102.933  291.698    162.023  61.447  7.0303  44.854  13.659  16.59311       15.36230 
1 1 1 -17 16  27 o 51.458  6.4946  338.324    79.285   329.348    93.922   360.583    147.896  50.137  7.9886  50.276  12.239  -0.1388817     14.61524 
1 1 1 -17 16  28 o 57.418  5.2944  413.976    72.930   449.727    100.055  373.450    106.527  59.092  7.1218  53.105  8.5581  5.986771       11.13375 
1 1 1 -17 16  29 o 32.105  7.7431  137.426    59.619   129.703    85.156   144.851    83.497   31.153  9.9660  32.649  9.7752  -1.496002      13.95975 
1 1 1 -17 16  30 o 17.530  7.3886  9.0444     53.679   -2.5277    73.448   22.312     78.644   19.308  8.3979  21.550  9.0044  -2.242466      12.31272 
1 1 1 -17 16  31 o 51.838  5.5801  340.468    69.081   366.797    96.081   312.293    99.393   52.859  7.7188  48.151  8.8327  4.708145       11.73016 
1 1 1 -17 16  32 o 35.535  10.199  176.816    92.539   409.248    177.434  89.972     108.457  51.663  13.865  28.516  11.026  23.14618       17.71493 
1 1 1 -17 16  33 o 21.365  9.1384  13.175     84.202   -121.5534  165.254  60.418     97.857   23.510  11.094  25.671  10.302  -2.160187      15.13966 
1 1 1 -17 16  34 o 36.795  7.7656  182.787    67.152   218.262    98.511   151.994    91.780   39.061  10.261  32.849  10.328  6.211559       14.55903 
1 1 1 -17 16  35 o 9.3857  4.7442  -173.1720  52.679   -292.3625  76.072   -63.3493   73.021   ?       ?       15.842  7.4443  0.000000       7.444285 
1 1 1 -17 16  36 o 42.626  7.0906  242.343    70.760   149.426    100.720  332.901    99.433   32.233  10.867  49.113  8.6603  -16.87999      13.89549 
1 1 1 -17 16  37 f 16.538  7.3317  -9.5929    58.476   -63.9392   87.035   35.125     78.950   17.466  8.1819  21.912  9.0773  -4.446095      12.22053 
1 1 1 -17 16  38 o 20.875  8.3506  40.107     64.071   12.531     92.543   65.493     88.793   21.597  9.4096  24.707  9.8482  -3.110390      13.62087 
1 1 1 -17 16  39 o 17.880  7.7086  7.3705     60.799   -7.5155    88.314   20.782     83.826   20.009  8.9318  21.180  9.0902  -1.170889      12.74399 
1 1 1 -17 16  40 o 42.654  7.1202  247.515    71.093   258.355    98.268   235.611    102.979  41.614  9.8798  39.135  10.588  2.478611       14.48160 
1 1 1 -17 16  41 o 36.990  10.727  212.894    101.896  189.757    109.769  357.052    273.999  34.612  11.335  40.576  16.868  -5.963730      20.32264 
1 1 1 -17 16  42 o 21.944  9.4653  24.341     91.764   24.341     91.764   0.0000     0.0000   21.944  9.4653  ?       ?       0.000000       9.465333 
1 1 1 -17 16  43 o 42.117  7.5879  245.144    74.690   208.032    100.313  291.316    111.889  36.648  10.648  43.522  10.676  -6.874794      15.07829 
1 1 1 -17 16  44 o 26.580  8.9211  99.387     67.881   -138.8155  94.197   356.715    97.906   15.612  7.6173  50.407  8.2934  -34.79447      11.26067 
1 1 1 -17 16  45 o 25.298  9.8788  79.391     87.721   -167.7396  213.521  129.572    96.216   24.110  11.696  29.551  10.581  -5.441158      15.77206 
1 1 1 -17 16  46 o 38.443  12.155  251.163    126.951  57.288     254.676  315.266    146.443  30.320  14.135  42.214  13.010  -11.89400      19.21056 
1 1 1 -17 17  1  o 109.619 5.6442  1472.38    149.615  0.0000     0.0000   1472.38    149.615  ?       ?       109.619 5.6442  0.000000       5.644205 
1 1 1 -17 17  2  o 16.016  6.6846  6.2281     43.273   113.690    85.935   -30.2771   50.086   30.749  10.027  14.423  6.5555  16.32598       11.97998 
1 1 1 -17 17  3  o 36.914  5.7708  170.504    49.996   214.312    67.374   116.816    74.585   41.245  6.9813  30.598  9.2563  10.64668       11.59385 
1 1 1 -17 17  4  o 119.130 4.1314  1728.72    119.422  1688.87    166.389  1771.07    171.504  117.513 5.8355  120.332 5.8739  -2.819237      8.279813 
1 1 1 -17 17  5  o 103.256 4.0023  1298.48    100.275  1226.39    139.640  1375.22    144.084  99.978  5.7809  105.920 5.6265  -5.941467      8.066984 
1 1 1 -17 17  6  o 104.596 4.0569  1332.63    102.961  1342.28    143.527  1322.39    147.784  104.624 5.6750  103.800 5.8920  0.8236084      8.180511 
1 1 1 -17 17  7  o 22.079  8.7050  34.733     68.677   -182.8277  125.240  128.285    82.126   19.098  9.1881  32.020  9.7190  -12.92178      13.37461 
1 1 1 -17 17  8  o 67.339  8.0268  566.713    128.568  0.0000     0.0000   566.713    128.568  ?       ?       67.339  8.0268  0.000000       8.026800 
1 1 1 -17 17  9  o 88.318  5.9165  959.260    126.055  882.644    209.482  1002.75    157.829  83.461  10.582  89.999  7.2901  -6.537537      12.84993 
1 1 1 -17 17  10 o 107.944 5.9010  1431.32    153.973  1465.43    249.335  1410.29    195.758  108.145 9.6018  106.710 7.6104  1.435013       12.25203 
1 1 1 -17 17  11 o 188.183 4.8973  4326.05    223.617  4168.22    315.109  4486.17    317.389  184.040 7.0564  191.008 6.8482  -6.969025      9.833157 
1 1 1 -17 17  12 o 143.432 4.3993  2510.61    153.106  2408.94    215.499  2614.24    217.565  140.057 6.3413  145.957 6.1433  -5.900406      8.829020 
1 1 1 -17 17  13 o 60.018  4.7058  442.790    67.981   361.058    94.041   532.244    98.384   53.594  7.4317  65.532  6.2637  -11.93836      9.719263 
1 1 1 -17 17  14 o 116.355 4.2306  1652.78    119.440  1662.10    168.168  1643.30    169.668  116.173 5.9862  115.487 6.0762  0.6866302      8.529678 
1 1 1 -17 17  15 o 83.187  4.2619  847.512    85.736   732.020    121.750  961.120    120.754  76.775  6.5998  88.294  5.6664  -11.51906      8.698573 
1 1 1 -17 17  16 o 13.664  6.1361  -19.4105   42.356   -33.9499   58.875   -3.8124    60.981   15.643  7.1089  17.922  7.7234  -2.279613      10.49702 
1 1 1 -17 17  17 o 64.018  4.4141  503.914    68.147   490.829    96.493   516.934    96.256   62.711  6.4325  64.425  6.2356  -1.714573      8.958807 
1 1 1 -17 17  18 o 130.406 4.3427  2082.52    137.412  1992.87    193.913  2172.94    194.750  126.919 6.2967  132.627 6.0518  -5.707741      8.733422 
1 1 1 -17 17  19 o 139.324 4.3717  2379.55    147.788  2326.32    209.242  2432.53    208.766  136.999 6.2946  140.164 6.1385  -3.165070      8.792176 
1 1 1 -17 17  20 o 145.533 4.5038  2600.75    159.040  2563.36    225.661  2637.65    224.181  143.565 6.4780  145.705 6.3410  -2.140305      9.064969 
1 1 1 -17 17  21 o 108.488 4.2789  1445.06    112.637  1307.67    156.535  1592.57    162.202  102.301 6.3374  113.132 5.9296  -10.83103      8.678853 
1 1 1 -17 17  22 o 29.626  7.2914  114.729    52.059   45.906     69.155   204.738    79.086   22.703  8.7973  39.386  8.5230  -16.68337      12.24882 
1 1 1 -17 17  23 o 68.748  4.5349  584.925    75.222   621.521    102.407  542.044    110.853  70.343  6.0590  65.233  7.1190  5.109955       9.348376 
1 1 1 -17 17  24 o 102.447 5.9858  1315.40    148.147  1215.52    177.407  1545.55    269.289  97.548  7.5542  107.715 10.434  -10.16605      12.88168 
1 1 1 -17 17  25 o 65.935  6.3559  550.862    100.426  598.831    112.607  364.426    221.998  68.533  6.8641  48.789  16.127  19.74447       17.52662 
1 1 1 -17 17  26 o 63.220  6.2771  507.227    95.016   497.660    109.878  535.591    189.193  62.074  7.4436  60.804  13.202  1.270683       15.15591 
1 1 1 -17 17  27 o 74.365  4.6841  687.959    84.089   648.961    118.016  728.174    119.844  71.188  6.9198  75.616  6.5980  -4.427689      9.561176 
1 1 1 -17 17  28 o 27.707  7.9461  101.848    56.192   90.015     84.505   111.227    75.236   27.400  9.9035  29.069  9.3748  -1.668245      13.63694 
1 1 1 -17 17  29 o 24.024  8.1536  71.494     56.710   121.114    78.404   17.052     82.125   30.105  9.5556  21.548  9.1135  8.557476       13.20473 
1 1 1 -17 17  30 o 63.842  5.2291  512.471    80.291   615.661    113.595  409.450    113.503  69.177  6.8580  55.298  8.7505  13.87886       11.11773 
1 1 1 -17 17  31 o 31.952  10.002  140.246    86.182   -44.0653   174.040  200.122    99.198   26.635  12.150  37.609  10.480  -10.97367      16.04509 
1 1 1 -17 17  32 o 38.419  10.194  209.318    96.600   168.851    185.537  224.368    113.146  35.949  14.265  39.303  11.276  -3.354885      18.18386 
1 1 1 -17 17  33 o 37.754  7.4774  191.101    66.076   316.885    95.031   73.373     91.937   48.358  8.4041  26.053  10.130  22.30490       13.16229 
1 1 1 -17 17  34 o 13.021  6.2581  -76.7060   57.742   -76.8680   83.238   -76.5558   80.167   16.621  7.8526  16.241  7.6831  0.3804741      10.98603 
1 1 1 -17 17  35 o 32.579  8.2780  147.643    65.572   130.712    97.242   161.760    88.797   30.556  10.665  33.427  10.097  -2.870846      14.68644 
1 1 1 -17 17  36 o 37.892  7.6444  196.513    67.859   159.859    94.752   235.108    97.229   32.951  10.510  40.047  10.028  -7.096340      14.52638 
1 1 1 -17 17  37 o 40.863  7.2970  226.855    69.695   280.284    95.604   166.254    101.818  44.224  9.2088  33.212  10.919  11.01144       14.28358 
1 1 1 -17 17  38 o 14.565  6.7950  -43.4824   59.032   -40.0627   80.501   -47.4605   86.824   17.554  8.1014  17.951  8.3296  -0.3964119     11.61955 
1 1 1 -17 17  39 o 53.235  6.2942  375.198    79.728   398.342    107.829  347.284    118.419  53.001  8.6857  47.848  10.489  5.153080       13.61856 
1 1 1 -17 17  40 o 14.696  6.8549  -42.7569   60.037   24.407     81.464   -122.6039  88.824   21.049  8.9955  15.438  7.5015  5.610944       11.71292 
1 1 1 -17 17  41 o 20.005  8.8810  -0.6123    86.090   6.5749     91.175   -59.7174   261.460  20.863  9.2065  28.455  13.579  -7.591772      16.40541 
1 1 1 -17 17  42 o 20.529  9.1678  -3.6436    93.154   1.9072     98.335   -52.1981   290.831  21.266  9.4638  29.640  14.192  -8.373329      17.05813 
1 1 1 -17 17  43 f 22.379  8.6248  57.819     66.190   42.901     91.342   74.314     96.049   23.012  9.6654  25.383  10.199  -2.371338      14.05155 
1 1 1 -17 17  44 o 23.726  8.6087  73.707     63.943   88.432     86.185   55.678     95.367   25.919  9.8777  24.018  9.9653  1.901449       14.03123 
1 1 1 -17 17  45 o 38.132  12.074  246.592    125.233  277.424    253.008  236.587    144.127  36.737  15.780  36.562  12.965  0.1752548      20.42357 
1 1 1 -17 17  46 o 35.060  15.437  254.908    254.931  254.908    254.931  0.0000     0.0000   35.060  15.437  ?       ?       0.000000       15.43703 
1 1 1 -17 18  1  o 36.862  6.8383  171.934    58.911   357.251    98.222   67.814     73.624   53.323  7.8242  25.549  9.2425  27.77456       12.10957 
1 1 1 -17 18  2  o 193.203 4.9807  4556.58    233.488  4859.67    329.931  4252.49    330.474  198.987 6.8334  185.982 7.3232  13.00446       10.01621 
1 1 1 -17 18  3  o 80.651  4.0119  792.345    78.510   780.074    109.628  805.265    112.489  79.660  5.7096  80.933  5.7659  -1.272514      8.114479 
1 1 1 -17 18  4  o 110.899 4.5298  1499.90    121.891  1429.31    152.804  1623.40    202.122  107.915 5.8576  114.676 7.3020  -6.760872      9.361150 
1 1 1 -17 18  5  o 95.122  5.8019  1111.33    133.271  996.713    216.565  1181.20    169.077  88.904  10.226  97.767  7.1775  -8.863541      12.49319 
1 1 1 -17 18  6  o 51.612  6.9881  333.072    85.262   363.031    151.219  319.109    103.237  52.700  12.084  50.077  8.8185  2.622768       14.95929 
1 1 1 -17 18  7  o 29.750  9.2804  109.418    74.264   250.601    132.538  44.806     89.661   43.876  12.071  25.087  9.9288  18.78854       15.62977 
1 1 1 -17 18  8  f 37.918  8.5164  184.794    76.439   271.808    140.944  148.536    90.981   45.587  12.409  34.232  10.194  11.35496       16.05923 
1 1 1 -17 18  9  o 67.329  6.4270  561.513    103.722  597.809    175.290  541.958    128.663  68.239  10.958  65.699  8.2532  2.539726       13.71797 
1 1 1 -17 18  10 o 70.637  4.2325  610.826    72.209   572.177    101.170  650.960    103.096  68.002  6.1996  72.630  5.9011  -4.628136      8.559106 
1 1 1 -17 18  11 o 82.275  4.2006  828.072    83.579   760.417    114.086  906.446    122.792  78.482  6.0373  85.749  5.9382  -7.267387      8.468237 
1 1 1 -17 18  12 o 66.180  7.4826  548.128    118.045  677.599    242.511  507.926    135.135  71.083  14.550  63.223  9.0687  7.859398       17.14521 
1 1 1 -17 18  13 o 77.653  4.3607  739.039    81.831   750.163    115.130  727.682    116.332  77.854  6.1445  76.629  6.3128  1.224617       8.809432 
1 1 1 -17 18  14 o 108.167 4.2315  1429.74    111.058  1357.02    156.314  1503.86    157.818  104.782 6.1755  110.407 5.9126  -5.624733      8.549567 
1 1 1 -17 18  15 o 26.173  7.3442  87.490     48.541   93.875     66.243   80.086     71.335   27.547  8.7875  26.371  9.1384  1.176449       12.67797 
1 1 1 -17 18  16 o 12.538  5.7489  -27.6065   39.641   -86.6285   52.614   49.884     60.287   12.007  5.8205  22.405  8.3204  -10.39801      10.15419 
1 1 1 -17 18  17 o 146.130 4.4966  2618.15    159.437  2646.29    227.119  2590.80    223.872  146.127 6.4056  144.599 6.3807  1.528381       9.041296 
1 1 1 -17 18  18 o 58.873  4.5959  428.076    65.133   341.805    91.647   516.118    92.583   51.764  7.5165  64.301  6.0034  -12.53751      9.619686 
1 1 1 -17 18  19 o 106.630 4.2309  1394.87    109.465  1451.79    154.446  1337.41    155.171  108.065 5.9126  103.582 6.2025  4.482803       8.569074 
1 1 1 -17 18  20 o 84.339  4.2425  875.668    86.540   883.636    123.311  867.934    121.483  84.085  6.0851  83.345  6.0484  0.7396851      8.579700 
1 1 1 -17 18  21 o 80.585  4.3844  801.319    85.406   754.025    118.374  852.667    123.344  77.449  6.3551  82.451  6.2110  -5.001495      8.886130 
1 1 1 -17 18  22 o 67.748  6.4971  580.319    105.492  511.890    119.824  816.123    222.434  62.925  8.0311  76.844  12.348  -13.91870      14.72972 
1 1 1 -17 18  23 o 20.732  8.2540  32.831     62.304   32.122     66.377   38.082     180.633  21.120  8.4814  30.886  13.301  -9.766331      15.77535 
1 1 1 -17 18  24 o 49.763  7.2455  320.361    84.917   368.531    93.622   96.857     201.665  53.350  7.4344  34.368  14.394  18.98192       16.20098 
1 1 1 -17 18  25 o 76.749  6.2792  746.179    115.911  647.025    132.075  1078.50    241.795  70.606  7.8418  88.297  11.564  -17.69057      13.97203 
1 1 1 -17 18  26 o 96.437  4.6408  1152.83    108.592  1257.89    152.773  1045.53    154.385  99.639  6.3522  90.326  7.1014  9.312546       9.527883 
1 1 1 -17 18  27 o 39.231  6.6748  200.027    61.262   138.215    90.669   251.952    83.101   31.991  10.289  43.498  8.1737  -11.50702      13.14028 
1 1 1 -17 18  28 o 52.664  5.5424  351.036    69.760   325.286    97.539   378.000    99.811   49.374  8.4452  53.580  7.9157  -4.205475      11.57496 
1 1 1 -17 18  29 o 26.623  8.1767  93.617     57.905   113.739    81.043   72.630     82.764   29.329  9.7461  25.671  9.7044  3.658625       13.75357 
1 1 1 -17 18  30 o 41.267  9.1810  234.473    89.559   143.109    198.484  257.830    100.356  35.290  14.482  42.980  9.8358  -7.690201      17.50669 
1 1 1 -17 18  31 o 29.242  10.014  113.580    85.542   134.523    191.962  108.391    95.553   34.392  14.193  29.116  10.530  5.275843       17.67261 
1 1 1 -17 18  32 o 98.613  4.6212  1214.14    110.575  1229.82    156.445  1198.48    156.307  97.600  6.6457  96.267  6.7342  1.333611       9.461185 
1 1 1 -17 18  33 o 47.853  6.4097  298.792    72.554   284.120    106.518  311.491    99.097   44.476  10.101  47.403  8.9437  -2.926582      13.49125 
1 1 1 -17 18  34 o 33.758  8.2646  158.594    67.151   334.130    100.342  16.212     90.370   49.081  8.7464  21.805  9.3993  27.27646       12.83920 
1 1 1 -17 18  35 o 53.045  5.9129  365.373    74.809   385.997    107.217  345.807    104.430  52.663  8.6941  49.559  9.0167  3.104095       12.52547 
1 1 1 -17 18  36 o 30.381  8.3308  130.613    63.250   65.626     90.805   191.857    88.152   24.782  9.9315  36.019  9.8176  -11.23613      13.96495 
1 1 1 -17 18  37 o 19.157  7.9080  26.165     59.616   166.376    86.192   -102.4315  82.545   33.336  9.9206  15.367  7.4091  17.96877       12.38194 
1 1 1 -17 18  38 o 10.876  5.3837  -111.7569  52.892   14.700     77.014   -224.6501  72.767   20.036  8.6567  11.090  5.6033  8.945053       10.31191 
1 1 1 -17 18  39 o 19.158  8.1195  19.628     65.398   -49.3942   92.114   89.782     92.866   18.317  8.5264  26.301  10.194  -7.984394      13.28950 
1 1 1 -17 18  40 o 18.154  8.4537  -49.4020   90.685   -32.0160   96.555   -179.4869  264.112  19.478  8.9466  26.258  12.799  -6.779623      15.61567 
1 1 1 -17 18  41 o 21.197  9.3348  9.9953     93.255   22.013     99.499   -76.8394   267.460  22.351  9.7471  28.247  13.548  -5.896002      16.68962 
1 1 1 -17 18  42 o 23.744  8.8432  71.731     68.199   138.757    95.794   2.8439     97.115   30.334  10.585  21.168  9.4132  9.165880       14.16541 
1 1 1 -17 18  43 o 23.235  8.7289  67.644     66.730   6.6955     93.808   130.075    94.942   21.025  9.3053  29.500  10.516  -8.474798      14.04218 
1 1 1 -17 18  44 o 28.264  11.150  112.760    112.731  66.272     259.509  123.573    125.157  30.538  14.247  29.220  11.677  1.317537       18.42132 
1 1 1 -17 18  45 o 30.975  14.591  93.425     283.585  93.425     283.585  0.0000     0.0000   30.975  14.591  ?       ?       0.000000       14.59107 
1 1 1 -17 19  1  o 75.637  4.4667  700.170    81.611   719.658    124.530  685.499    108.049  76.257  6.8017  74.572  6.0229  1.685150       9.085028 
1 1 1 -17 19  2  o 111.045 4.0385  1502.59    108.813  1473.91    151.878  1532.85    155.973  109.591 5.7315  111.757 5.7716  -2.166580      8.133961 
1 1 1 -17 19  3  o 113.765 5.7234  1588.17    157.484  1760.18    251.090  1476.62    202.198  118.903 8.7648  109.188 7.6810  9.715897       11.65416 
1 1 1 -17 19  4  o 130.183 6.0444  2077.08    190.929  1825.93    295.918  2256.20    249.905  120.543 10.213  135.063 7.6571  -14.51974      12.76488 
1 1 1 -17 19  5  o 154.058 6.3403  2912.47    237.004  2761.11    363.001  3024.92    312.901  148.380 10.143  156.171 8.2870  -7.791748      13.09816 
1 1 1 -17 19  6  o 160.652 6.4557  3169.50    251.647  3143.22    383.511  3189.37    333.477  158.348 10.033  160.187 8.6113  -1.839111      13.22219 
1 1 1 -17 19  7  o 94.441  5.9390  1097.83    135.402  980.810    219.183  1170.05    172.187  87.902  10.483  97.145  7.3595  -9.243813      12.80871 
1 1 1 -17 19  8  o 13.303  5.9556  -17.2965   39.572   1.4328     53.510   -39.9037   58.789   17.233  7.3258  15.328  7.0185  1.904777       10.14528 
1 1 1 -17 19  9  o 128.033 4.2381  2000.59    131.662  1949.84    184.363  2053.42    188.088  126.017 6.0295  129.330 5.9937  -3.312943      8.501724 
1 1 1 -17 19  10 o 72.810  4.2627  649.420    74.978   656.367    103.229  641.662    109.085  72.884  5.8875  71.960  6.3112  0.9232483      8.630993 
1 1 1 -17 19  11 o 67.718  4.2868  562.376    70.075   425.150    94.903   726.884    103.909  58.312  6.8373  76.753  5.6185  -18.44157      8.849682 
1 1 1 -17 19  12 o 68.537  4.3767  576.557    72.404   643.054    99.714   502.396    105.304  72.106  5.7470  63.377  6.9625  8.729240       9.027991 
1 1 1 -17 19  13 f 101.515 4.1941  1259.79    103.308  1303.63    145.058  1214.67    147.163  102.742 5.8429  99.068  6.1526  3.674164       8.484894 
1 1 1 -17 19  14 o 82.260  4.3152  830.338    85.830   731.446    119.143  937.030    123.753  76.641  6.4672  86.986  5.8982  -10.34460      8.752897 
1 1 1 -17 19  15 o 69.084  4.5027  587.411    75.064   563.287    103.436  614.252    109.104  67.147  6.4272  70.126  6.4855  -2.979004      9.130769 
1 1 1 -17 19  16 o 114.142 4.2665  1596.60    118.164  1525.21    167.217  1667.80    167.002  110.765 6.2473  115.968 5.9551  -5.203018      8.630857 
1 1 1 -17 19  17 o 93.648  4.2375  1075.52    96.289   1095.76    136.161  1055.28    136.185  93.837  6.0118  92.033  6.1336  1.803459       8.588534 
1 1 1 -17 19  18 o 68.340  4.4544  576.336    73.459   559.733    104.842  592.346    102.956  66.692  6.5639  68.739  6.2408  -2.047531      9.057196 
1 1 1 -17 19  19 o 48.215  5.1319  290.375    59.115   282.366    83.394   298.463    83.810   46.758  7.6123  48.173  7.4073  -1.414993      10.62147 
1 1 1 -17 19  20 o 82.663  4.2987  842.993    85.923   805.161    121.908  880.339    121.124  80.011  6.3311  83.834  5.9941  -3.822609      8.718471 
1 1 1 -17 19  21 o 57.539  6.2200  418.866    85.457   380.042    101.117  515.909    159.865  54.089  7.9410  61.436  11.134  -7.346222      13.67595 
1 1 1 -17 19  22 o 18.104  7.6996  5.7167     59.160   -31.7141   63.279   265.461    166.694  16.252  7.3796  42.887  13.965  -26.63548      15.79451 
1 1 1 -17 19  23 o 84.282  6.1508  896.747    124.916  911.583    144.260  852.289    249.731  84.436  7.1074  76.424  13.982  8.012215       15.68518 
1 1 1 -17 19  24 o 73.698  4.5394  674.799    80.778   649.927    109.840  704.096    119.210  71.502  6.3987  74.290  6.6849  -2.787903      9.253781 
1 1 1 -17 19  25 o 95.499  4.7017  1131.77    108.948  1147.69    152.766  1115.28    155.418  94.894  6.6773  93.382  6.9082  1.512428       9.607809 
1 1 1 -17 19  26 o 28.772  8.4310  110.706    62.653   102.299    91.729   118.057    85.780   28.748  10.327  29.949  10.029  -1.200897      14.39552 
1 1 1 -17 19  27 o 59.959  5.5919  454.702    80.416   488.721    117.116  424.356    110.613  60.866  8.1336  56.564  8.3069  4.302193       11.62582 
1 1 1 -17 19  28 o 62.760  5.0383  494.725    76.077   524.968    107.731  464.642    107.446  63.631  7.0986  59.543  7.6111  4.088066       10.40770 
1 1 1 -17 19  29 o 65.001  7.5496  553.800    116.855  446.285    238.138  587.899    134.111  51.114  16.693  66.340  8.5291  -15.22606      18.74596 
1 1 1 -17 19  30 o 66.339  7.5255  578.618    118.991  165.333    234.349  722.180    138.120  36.864  15.482  73.969  7.8139  -37.10559      17.34251 
1 1 1 -17 19  31 o 75.159  4.8664  710.561    88.271   671.541    125.245  749.073    124.427  71.487  7.3239  75.903  6.8291  -4.415604      10.01381 
1 1 1 -17 19  32 o 29.981  8.2374  124.252    61.769   276.206    91.365   -3.6726    83.830   44.650  8.7461  20.084  8.8471  24.56658       12.44046 
1 1 1 -17 19  33 o 34.531  7.5882  163.152    61.843   196.816    90.272   133.381    84.893   36.770  9.8987  30.606  9.9656  6.164118       14.04623 
1 1 1 -17 19  34 o 31.626  8.3475  140.885    64.993   201.131    93.485   84.526     90.420   36.841  10.139  26.291  10.094  10.55020       14.30669 
1 1 1 -17 19  35 o 44.198  7.0939  263.810    73.504   224.457    107.288  298.621    100.906  38.132  10.992  45.392  9.4681  -7.259991      14.50792 
1 1 1 -17 19  36 o 32.732  8.2785  152.861    65.792   127.697    96.043   175.110    90.310   29.585  10.574  33.995  10.163  -4.410032      14.66636 
1 1 1 -17 19  37 o 24.631  8.6725  82.069     64.376   63.359     89.648   101.989    92.502   24.238  9.8132  27.260  10.270  -3.021906      14.20477 
1 1 1 -17 19  38 o 26.259  8.7682  97.733     65.570   139.300    92.976   56.603     92.487   30.314  10.437  23.872  9.8516  6.442572       14.35216 
1 1 1 -17 19  39 o 14.640  7.1630  -133.1738  85.011   -126.6414  90.603   -181.2474  245.787  15.474  7.5321  25.324  12.344  -9.850400      14.46076 
1 1 1 -17 19  40 o 22.548  9.7172  30.669     96.536   20.159     103.211  104.137    272.877  22.479  9.8617  32.167  14.870  -9.687338      17.84279 
1 1 1 -17 19  41 o 15.989  7.3139  -26.8308   63.636   -72.8651   90.515   18.159     89.483   17.214  8.1494  21.290  9.2648  -4.076431      12.33893 
1 1 1 -17 19  42 o 16.917  7.6094  -13.9974   65.441   14.083     91.540   -43.3490   93.589   21.190  9.2920  18.649  8.6516  2.541248       12.69614 
1 1 1 -17 19  43 o 25.802  10.936  69.085     118.667  62.386     262.303  70.808     133.063  30.410  14.232  26.532  11.421  3.877823       18.24838 
1 1 1 -17 19  44 o 24.364  11.952  -188.4843  241.477  -188.4843  241.477  0.0000     0.0000   24.364  11.952  ?       ?       0.000000       11.95199 
1 1 1 -17 20  1  f 87.889  5.6861  949.855    120.608  1118.41    196.121  847.342    152.948  94.615  8.6380  82.509  7.7298  12.10635       11.59163 
1 1 1 -17 20  2  f 94.842  5.6468  1105.43    129.360  1188.73    211.382  1055.55    163.565  97.419  9.0458  92.254  7.3685  5.165245       11.66706 
1 1 1 -17 20  3  o 128.041 5.9308  2010.20    184.258  1967.38    287.663  2039.99    239.941  125.297 9.5335  128.290 7.7444  -2.993614      12.28260 
1 1 1 -17 20  4  o 139.973 6.1237  2404.57    207.980  2278.28    321.738  2495.23    272.591  134.669 9.9160  141.820 7.9537  -7.150528      12.71173 
1 1 1 -17 20  5  o 155.944 6.3401  2988.16    239.900  3031.85    367.641  2955.76    316.592  155.443 9.7975  154.104 8.4997  1.338882       12.97063 
1 1 1 -17 20  6  o 127.021 4.2369  1969.02    130.584  1898.64    182.454  2042.93    186.976  124.351 6.0470  129.009 5.9732  -4.657242      8.499681 
1 1 1 -17 20  7  o 54.479  4.6497  365.325    60.875   436.495    83.951   286.412    88.401   59.344  5.9088  47.472  7.9560  11.87168       9.910191 
1 1 1 -17 20  8  o 136.234 4.3324  2266.92    143.210  2231.94    200.567  2303.31    204.551  134.723 6.1355  136.853 6.1600  -2.129745      8.694311 
1 1 1 -17 20  9  o 48.610  4.8346  292.015    56.267   186.303    76.687   415.287    82.812   37.945  8.5359  57.814  5.9903  -19.86901      10.42809 
1 1 1 -17 20  10 o 93.899  4.1174  1077.10    93.810   1079.56    131.471  1074.54    133.899  93.513  5.8231  93.260  5.9482  0.2536850      8.324031 
1 1 1 -17 20  11 o 153.728 4.4708  2892.07    166.763  2805.62    234.611  2980.34    237.086  150.726 6.4150  155.402 6.2876  -4.676193      8.982564 
1 1 1 -17 20  12 o 25.165  7.2351  80.581     46.534   25.605     61.088   156.583    71.827   20.228  8.1319  34.667  8.5842  -14.43901      11.82440 
1 1 1 -17 20  13 o 95.855  4.1236  1124.29    95.908   1117.13    132.820  1132.08    138.636  94.990  5.7903  95.552  6.0102  -0.5620346     8.345644 
1 1 1 -17 20  14 o 74.735  4.3235  686.738    78.066   628.358    107.165  752.747    113.952  70.944  6.2907  77.762  6.0880  -6.818192      8.754228 
1 1 1 -17 20  15 o 37.449  6.0427  177.912    53.039   183.677    73.309   171.579    76.832   37.476  8.2824  36.094  8.8425  1.382584       12.11563 
1 1 1 -17 20  16 o 44.877  5.3551  252.133    57.160   236.888    78.028   269.789    83.971   42.764  7.8075  45.690  7.8577  -2.925858      11.07708 
1 1 1 -17 20  17 o 45.617  5.2757  260.535    57.317   273.425    80.936   247.567    81.181   46.059  7.5002  43.623  7.9630  2.435669       10.93903 
1 1 1 -17 20  18 o 79.756  4.3448  784.871    83.764   772.524    117.240  797.745    119.720  78.447  6.2101  79.712  6.2396  -1.264595      8.803332 
1 1 1 -17 20  19 o 78.268  4.3551  756.790    82.380   667.324    117.607  842.972    115.428  72.561  6.7575  82.046  5.8362  -9.484818      8.928887 
1 1 1 -17 20  20 o 61.016  6.1713  470.785    90.110   478.559    107.367  452.260    165.732  60.994  7.4067  56.552  12.418  4.441124       14.45907 
1 1 1 -17 20  21 o 54.955  6.3971  384.695    83.705   360.913    98.535   446.352    158.654  52.532  7.9815  56.241  11.992  -3.709038      14.40546 
1 1 1 -17 20  22 o 77.633  6.0945  761.794    113.878  777.606    133.108  718.618    219.947  77.877  7.1231  70.395  13.366  7.481949       15.14535 
1 1 1 -17 20  23 o 38.116  6.2692  187.526    55.964   204.783    74.101   164.616    85.382   39.186  8.0624  34.619  9.7495  4.566982       12.65133 
1 1 1 -17 20  24 o 84.317  4.8107  886.399    98.013   905.893    138.102  866.615    139.127  84.115  6.8254  82.117  7.0509  1.997246       9.813305 
1 1 1 -17 20  25 o 61.619  5.3603  478.378    79.344   559.093    112.604  398.784    111.820  65.730  7.1770  54.580  8.7383  11.14991       11.30785 
1 1 1 -17 20  26 o 78.251  4.9397  766.226    93.309   857.776    131.745  674.080    132.173  81.796  6.6967  71.831  7.7037  9.964851       10.20753 
1 1 1 -17 20  27 o 50.062  8.3304  335.548    97.634   201.637    212.183  371.516    109.967  38.411  15.251  52.352  8.9803  -13.94022      17.69868 
1 1 1 -17 20  28 o 31.249  9.7322  134.602    81.709   178.801    184.881  123.874    91.087   36.419  14.307  30.347  10.333  6.072090       17.64842 
1 1 1 -17 20  29 o 51.034  8.4243  352.154    100.677  396.032    223.964  341.042    112.706  47.965  16.204  49.378  9.7531  -1.412785      18.91271 
1 1 1 -17 20  30 o 37.172  7.1527  184.712    62.171   100.932    89.331   263.411    86.580   28.016  10.174  43.862  8.4415  -15.84565      13.21984 
1 1 1 -17 20  31 o 36.192  7.5584  178.004    64.233   203.388    94.873   156.521    87.279   37.364  10.185  32.977  10.021  4.386841       14.28879 
1 1 1 -17 20  32 o 58.235  5.4564  434.926    76.201   498.995    106.731  368.314    108.829  61.137  7.3416  51.214  9.0906  9.922932       11.68498 
1 1 1 -17 20  33 o 55.236  5.7599  395.444    76.061   407.678    110.427  384.399    104.918  54.003  8.7249  52.573  8.5160  1.429989       12.19207 
1 1 1 -17 20  34 o 34.009  8.0635  162.903    65.529   292.322    97.499   56.282     88.496   45.014  9.2364  23.889  9.7216  21.12455       13.40969 
1 1 1 -17 20  35 o 17.950  7.7868  5.9206     62.817   78.864     95.419   -49.8737   83.452   25.718  10.222  17.401  8.1051  8.317448       13.04560 
1 1 1 -17 20  36 o 34.524  8.6166  173.217    71.952   204.206    104.828  145.613    98.937   35.840  11.001  30.854  10.758  4.985317       15.38681 
1 1 1 -17 20  37 o 29.385  8.8204  126.621    67.918   95.411     94.581   159.849    97.591   26.659  10.300  31.991  10.697  -5.332060      14.84967 
1 1 1 -17 20  38 o 56.644  8.3989  455.515    111.938  464.513    128.129  426.504    230.055  55.791  9.8238  44.070  16.276  11.72077       19.01076 
1 1 1 -17 20  39 o 13.674  6.7349  -142.2585  79.228   -94.4873   89.340   -318.1877  171.447  16.294  7.8188  18.744  9.3467  -2.449841      12.18585 
1 1 1 -17 20  40 o 22.976  8.8511  63.414     69.686   70.901     94.395   54.446     103.308  24.891  10.073  24.337  10.253  0.5540428      14.37321 
1 1 1 -17 20  41 o 21.256  8.4542  47.368     65.306   126.373    88.556   -46.8274   96.694   29.044  10.175  18.786  8.7419  10.25721       13.41476 
1 1 1 -17 20  42 o 45.121  10.468  318.496    112.392  289.484    285.339  323.824    122.277  36.446  16.175  44.625  11.285  -8.179245      19.72268 
1 1 1 -17 20  43 o 25.611  12.566  -169.6702  267.265  -169.6702  267.265  0.0000     0.0000   25.611  12.566  ?       ?       0.000000       12.56586 
1 1 1 -17 21  1  o 91.190  5.6587  1023.22    124.589  1112.45    203.706  969.898    157.477  94.112  9.0315  88.326  7.4166  5.786270       11.68646 
1 1 1 -17 21  2  o 55.356  6.3781  381.550    84.101   446.399    150.010  351.824    101.563  58.654  10.943  52.680  8.2134  5.973930       13.68239 
1 1 1 -17 21  3  o 45.868  7.0389  265.225    75.837   188.347    141.088  296.462    89.935   38.917  12.856  48.323  7.9465  -9.406094      15.11355 
1 1 1 -17 21  4  o 149.839 4.8840  2746.62    177.568  2713.04    222.897  2804.93    293.764  148.549 6.1840  150.135 8.0940  -1.585693      10.18599 
1 1 1 -17 21  5  o 110.941 4.0882  1502.27    110.050  1381.01    153.496  1630.54    157.863  105.838 6.0018  115.266 5.6444  -9.427658      8.238999 
1 1 1 -17 21  6  o 90.017  4.0602  989.206    88.683   917.525    123.315  1065.99    127.629  86.195  5.9323  93.002  5.6831  -6.806244      8.215168 
1 1 1 -17 21  7  o 40.591  5.6178  206.092    53.847   150.448    71.376   279.591    82.033   34.066  8.6263  46.951  7.4495  -12.88518      11.39772 
1 1 1 -17 21  8  o 204.066 5.1600  5108.75    255.495  4935.81    358.657  5286.92    364.052  199.410 7.4126  206.471 7.2667  -7.061676      10.38035 
1 1 1 -17 21  9  o 189.620 4.8691  4408.27    224.024  4366.16    314.570  4451.61    319.114  187.721 6.9062  189.530 6.9391  -1.809326      9.790168 
1 1 1 -17 21  10 o 111.835 4.1393  1529.73    112.324  1453.39    157.481  1608.79    160.255  108.366 6.0128  114.103 5.8075  -5.736946      8.359497 
1 1 1 -17 21  11 o 94.371  4.0833  1089.63    93.501   980.997    130.462  1204.36    134.072  88.893  6.0852  98.693  5.6220  -9.799622      8.284689 
1 1 1 -17 21  12 o 96.508  4.1126  1140.39    96.304   1162.81    134.136  1116.54    138.351  96.875  5.7320  94.810  6.0455  2.064240       8.330902 
1 1 1 -17 21  13 o 50.273  4.9193  313.818    59.238   262.161    79.894   376.892    88.283   45.185  7.5538  54.610  6.8106  -9.425636      10.17077 
1 1 1 -17 21  14 o 53.487  4.7631  354.729    61.170   368.341    82.880   338.443    90.657   54.042  6.4479  51.435  7.4835  2.606915       9.878214 
1 1 1 -17 21  15 o 61.333  4.5592  465.298    67.365   439.896    92.109   494.511    98.777   59.030  6.5408  62.603  6.6023  -3.573048      9.293677 
1 1 1 -17 21  16 o 65.418  4.5362  529.469    71.559   487.216    99.037   575.625    103.510  62.036  6.6851  67.600  6.3862  -5.564590      9.245251 
1 1 1 -17 21  17 o 62.141  4.6737  479.122    69.955   422.792    97.075   539.977    100.898  57.513  7.1075  65.364  6.4458  -7.850304      9.594999 
1 1 1 -17 21  18 o 58.646  4.6975  427.622    66.284   340.308    95.203   509.766    92.341   51.112  7.9337  63.578  6.0592  -12.46618      9.982865 
1 1 1 -17 21  19 o 35.094  8.0944  163.948    67.520   69.848     77.797   451.183    135.921  25.348  9.4442  57.771  10.062  -32.42311      13.79996 
1 1 1 -17 21  20 o 57.499  6.2447  420.394    85.723   393.589    102.588  482.419    156.053  54.861  7.9373  58.829  11.344  -3.967667      13.84485 
1 1 1 -17 21  21 o 83.863  5.8614  886.754    118.522  837.824    143.809  990.370    209.272  80.589  7.4383  85.461  10.300  -4.872078      12.70469 
1 1 1 -17 21  22 o 51.839  5.0423  337.678    62.622   357.367    88.236   317.697    88.889   52.488  7.1112  49.174  7.7028  3.314743       10.48345 
1 1 1 -17 21  23 o 38.821  7.6225  200.080    69.239   181.199    104.778  214.717    92.250   35.909  10.994  39.363  9.7172  -3.454266      14.67291 
1 1 1 -17 21  24 o 85.270  4.8886  908.646    100.723  925.558    144.395  892.618    140.570  84.726  7.0889  83.240  7.0255  1.486580       9.980491 
1 1 1 -17 21  25 o 89.502  4.8601  1001.40    105.152  947.845    150.228  1052.84    147.232  85.501  7.3116  90.563  6.7486  -5.062012      9.950026 
1 1 1 -17 21  26 o 115.883 6.7780  1725.50    189.754  1643.70    340.325  1762.41    228.582  104.663 13.732  115.647 8.1991  -10.98447      15.99389 
1 1 1 -17 21  27 o 56.414  7.8725  422.785    104.825  200.143    229.564  481.437    117.827  38.228  15.618  59.962  8.3230  -21.73389      17.69771 
1 1 1 -17 21  28 o 15.222  7.2045  -70.8939   70.648   -217.0640  167.754  -39.3808   77.892   21.192  10.300  17.612  8.0696  3.579823       13.08495 
1 1 1 -17 21  29 o 43.243  6.3897  244.598    65.025   165.024    92.947   320.876    91.002   33.833  10.354  48.743  7.9699  -14.90993      13.06628 
1 1 1 -17 21  30 o 42.389  6.5936  237.252    65.614   238.176    93.836   236.368    91.782   40.730  9.6440  40.677  9.4754  0.5375290E-01  13.51993 
1 1 1 -17 21  31 o 73.150  5.0278  679.885    88.698   705.177    127.100  655.874    123.839  72.742  7.2995  70.051  7.3977  2.691086       10.39273 
1 1 1 -17 21  32 o 40.797  6.8392  223.514    65.305   204.538    93.271   241.763    91.465   37.038  10.100  40.812  9.4265  -3.774136      13.81548 
1 1 1 -17 21  33 o 31.341  8.3767  140.290    64.924   82.940     96.194   188.272    87.988   26.157  10.306  35.472  9.8647  -9.315006      14.26602 
1 1 1 -17 21  34 o 22.556  8.4137  62.598     61.780   103.404    87.420   21.885     87.320   27.264  10.039  21.393  9.2305  5.871269       13.63783 
1 1 1 -17 21  35 o 26.226  8.7816  97.699     65.773   69.644     99.732   119.293    87.498   25.095  10.278  28.493  10.102  -3.398100      14.41183 
1 1 1 -17 21  36 o 80.518  5.2166  837.851    101.369  723.570    141.812  957.252    144.954  71.557  8.3232  83.841  7.1951  -12.28453      11.00207 
1 1 1 -17 21  37 o 30.167  10.398  139.829    92.289   124.228    103.912  198.099    200.822  28.914  10.887  33.770  14.265  -4.856117      17.94497 
1 1 1 -17 21  38 o 25.444  10.168  79.959     94.878   -8.7270    106.099  433.950    211.973  21.207  9.6002  45.343  15.751  -24.13595      18.44577 
1 1 1 -17 21  39 o 12.976  6.2526  -75.3769   58.557   -86.1013   81.417   -63.8842   84.283   15.642  7.4948  16.795  7.9247  -1.153339      10.90747 
1 1 1 -17 21  40 o 28.542  8.9628  120.196    69.140   80.123     93.759   167.962    102.365  25.383  10.119  32.429  10.955  -7.046047      14.91333 
1 1 1 -17 21  41 o 64.827  9.1978  618.220    140.621  725.545    328.723  594.180    155.575  49.674  19.199  61.606  10.801  -11.93232      22.02907 
1 1 1 -17 21  42 o 32.310  15.053  167.406    288.138  167.406    288.138  0.0000     0.0000   32.310  15.053  ?       ?       0.000000       15.05334 
1 1 1 -17 22  1  o 58.431  6.2914  424.924    87.791   316.313    153.614  477.605    106.985  48.709  12.822  61.736  7.2821  -13.02724      14.74561 
1 1 1 -17 22  2  o 132.290 4.2620  2137.85    136.807  2166.66    191.366  2107.73    195.654  132.749 5.9411  130.866 6.1616  1.883163       8.559356 
1 1 1 -17 22  3  o 128.523 4.1985  2017.84    130.930  2055.66    183.376  1978.52    187.002  129.307 5.8446  126.789 6.0786  2.517715       8.432592 
1 1 1 -17 22  4  o 62.124  4.3060  473.957    64.508   385.211    89.760   568.755    92.771   55.436  6.8168  67.795  5.6923  -12.35954      8.880898 
1 1 1 -17 22  5  o 9.8149  4.7796  -65.3135   36.587   -61.9371   47.831   -70.0748   56.800   12.213  5.8226  13.443  6.3906  -1.229272      8.645371 
1 1 1 -17 22  6  o 40.125  5.3722  201.183    50.990   203.252    69.200   198.725    75.422   39.847  7.4307  39.210  8.1917  0.6369476      11.05981 
1 1 1 -17 22  7  o 102.062 4.0975  1273.62    101.472  1238.20    141.408  1311.22    145.693  100.069 5.8493  102.984 5.8547  -2.915642      8.275968 
1 1 1 -17 22  8  o 62.373  4.3840  478.715    65.927   430.351    91.704   530.450    94.845   58.600  6.5621  65.273  6.0575  -6.672585      8.930586 
1 1 1 -17 22  9  o 49.552  4.7301  304.001    56.181   299.938    76.844   308.668    82.346   48.740  6.6729  49.339  7.0815  -0.5984383     9.730111 
1 1 1 -17 22  10 f 96.153  4.0829  1132.05    95.255   1159.23    132.900  1103.32    136.600  96.726  5.6876  94.244  6.0048  2.481720       8.270838 
1 1 1 -17 22  11 o 21.434  7.4515  52.361     47.448   14.006     53.439   195.212    103.132  18.133  7.4864  38.229  10.697  -20.09550      13.05670 
1 1 1 -17 22  12 o 54.652  4.5581  369.590    59.893   392.490    82.555   344.143    87.026   55.885  6.1922  52.008  7.0804  3.877216       9.406128 
1 1 1 -17 22  13 o 117.382 4.2258  1691.96    120.358  1599.28    168.032  1789.62    172.478  113.215 6.1398  120.028 5.9222  -6.813438      8.530504 
1 1 1 -17 22  14 o 156.406 4.6083  3013.94    174.887  2847.24    244.986  3187.18    249.739  150.741 6.6980  159.674 6.4460  -8.932480      9.295905 
1 1 1 -17 22  15 o 94.541  4.2243  1099.54    96.904   1024.98    134.190  1180.79    140.088  90.392  6.1548  97.138  5.9725  -6.745323      8.576312 
1 1 1 -17 22  16 o 52.443  4.9222  343.231    61.901   268.493    83.609   433.898    92.088   45.317  7.8903  58.411  6.6140  -13.09361      10.29577 
1 1 1 -17 22  17 o 56.912  6.8004  414.194    92.049   283.292    106.392  803.892    183.569  45.628  9.8948  77.553  9.9873  -31.92464      14.05892 
1 1 1 -17 22  18 o 21.985  8.1372  51.579     57.567   38.782     65.227   96.663     122.430  21.498  8.4811  30.110  11.695  -8.611979      14.44628 
1 1 1 -17 22  19 o 34.007  8.4571  155.852    69.491   173.598    80.992   106.339    135.287  35.662  9.2732  31.282  12.254  4.379969       15.36695 
1 1 1 -17 22  20 o 61.742  6.2516  485.764    92.365   489.780    109.609  475.928    171.547  61.363  7.5190  57.154  12.700  4.208569       14.75866 
1 1 1 -17 22  21 o 57.005  5.0598  408.209    69.259   382.148    101.910  430.577    94.414   53.776  8.0583  57.754  6.8723  -3.977795      10.59078 
1 1 1 -17 22  22 o 52.038  5.8118  344.785    72.129   354.812    99.878   333.856    104.276  51.630  8.2504  49.658  8.9850  1.972126       12.19835 
1 1 1 -17 22  23 o 83.062  4.9481  863.684    99.274   869.954    139.126  857.179    141.697  82.082  7.0540  81.333  7.2564  0.7493515      10.11998 
1 1 1 -17 22  24 o 67.616  5.3014  576.638    86.280   610.901    125.058  545.516    119.190  68.227  7.6883  64.373  7.7893  3.853729       10.94449 
1 1 1 -17 22  25 o 54.429  8.2268  396.393    105.258  570.132    235.757  353.139    117.634  58.345  16.119  50.238  10.002  8.106247       18.96976 
1 1 1 -17 22  26 o 26.953  9.7451  90.877     81.833   184.283    213.849  74.853     88.575   37.014  15.093  25.967  9.9855  11.04693       18.09724 
1 1 1 -17 22  27 o 35.597  10.193  182.198    92.530   607.157    228.733  99.047     101.179  60.090  15.564  28.372  10.729  31.71872       18.90314 
1 1 1 -17 22  28 o 35.952  7.9453  177.265    67.465   240.125    100.498  125.697    91.025   40.665  10.202  30.095  10.329  10.56977       14.51803 
1 1 1 -17 22  29 o 21.763  7.9368  56.185     54.450   64.901     80.398   48.800     74.005   24.312  9.4675  22.556  8.9908  1.755716       13.05632 
1 1 1 -17 22  30 o 65.302  5.2389  545.213    82.311   542.749    117.275  547.606    115.554  63.265  7.8053  63.695  7.6286  -0.4301872     10.91406 
1 1 1 -17 22  31 o 22.236  8.1490  60.388     57.501   18.518     86.776   93.165     76.777   21.336  9.2037  26.319  9.4490  -4.983122      13.19062 
1 1 1 -17 22  32 o 19.740  7.9132  35.530     57.668   185.845    82.530   -107.8835  80.613   35.429  9.4329  14.930  7.2291  20.49880       11.88438 
1 1 1 -17 22  33 f 24.850  8.4963  85.119     61.580   133.633    85.340   32.418     88.947   29.885  10.003  22.108  9.4227  7.776463       13.74216 
1 1 1 -17 22  34 o 30.373  8.6136  135.187    66.404   94.077     94.275   175.665    93.549   26.492  10.270  33.493  10.411  -7.000580      14.62368 
1 1 1 -17 22  35 o 51.071  6.4339  350.586    77.959   303.521    110.578  397.097    109.927  44.049  10.495  52.130  9.0170  -8.080647      13.83674 
1 1 1 -17 22  36 o 28.742  10.565  124.160    96.757   46.232     110.510  380.092    200.270  24.111  10.394  42.641  15.266  -18.52955      18.46832 
1 1 1 -17 22  37 o 35.626  10.533  201.930    97.410   173.770    107.939  325.525    226.131  32.703  11.246  38.778  15.626  -6.074554      19.25201 
1 1 1 -17 22  38 o 15.513  7.1119  -26.8745   60.630   -120.4842  84.290   73.484     87.275   14.859  7.2400  24.589  9.7754  -9.729683      12.16455 
1 1 1 -17 22  39 o 16.548  7.4739  -15.7227   63.879   -20.3713   91.604   -11.3223   89.124   19.338  8.8187  19.530  8.8237  -0.1921654     12.47512 
1 1 1 -17 22  40 o 34.650  11.273  200.029    108.641  -0.0123    268.083  239.338    118.837  28.789  13.741  37.430  11.750  -8.641087      18.07994 
1 1 1 -17 22  41 o 30.600  11.887  156.277    126.501  205.378    284.255  144.152    141.260  32.980  15.221  29.924  12.242  3.056030       19.53340 
1 1 1 -17 23  1  o 86.153  4.0393  906.810    84.438   888.258    116.408  927.411    122.665  84.793  5.6909  86.600  5.8724  -1.806618      8.177504 
1 1 1 -17 23  2  o 74.199  4.0529  674.742    72.691   583.389    101.385  771.382    104.277  68.508  6.1652  79.035  5.4712  -10.52753      8.242798 
1 1 1 -17 23  3  o 159.088 4.5397  3099.33    175.236  3124.11    245.529  3073.60    250.180  159.010 6.3638  157.639 6.5407  1.371216       9.125685 
1 1 1 -17 23  4  o 86.511  4.0168  914.902    84.316   936.728    117.950  892.093    120.576  87.051  5.6141  84.863  5.8922  2.187920       8.138618 
1 1 1 -17 23  5  o 55.541  4.3830  380.080    58.588   258.302    81.532   510.103    84.247   44.892  7.7661  64.150  5.4646  -19.25732      9.496017 
1 1 1 -17 23  6  o 77.021  4.1261  728.040    76.830   633.165    107.174  828.341    110.196  71.267  6.2613  81.792  5.5859  -10.52541      8.390843 
1 1 1 -17 23  7  o 100.442 4.1041  1235.16    100.023  1283.30    139.857  1184.77    143.105  101.807 5.6844  97.671  6.0685  4.136322       8.314972 
1 1 1 -17 23  8  o 49.241  4.8723  300.958    57.450   249.445    77.931   362.276    85.024   44.064  7.5612  53.580  6.6855  -9.515804      10.09295 
1 1 1 -17 23  9  o 41.963  6.4086  223.579    63.182   275.640    71.107   28.280     137.722  46.671  6.4517  27.928  11.806  18.74254       13.45425 
1 1 1 -17 23  10 o 45.185  6.1355  257.996    65.529   265.566    74.178   231.096    139.828  45.618  6.9186  41.196  12.715  4.422497       14.47555 
1 1 1 -17 23  11 o 91.421  4.1384  1025.96    91.801   983.703    127.433  1071.56    132.359  88.783  5.9499  92.693  5.9158  -3.910324      8.390326 
1 1 1 -17 23  12 o 138.857 4.4280  2373.03    149.192  2349.37    209.294  2397.48    212.726  137.174 6.2881  138.546 6.3279  -1.372375      8.920953 
1 1 1 -17 23  13 o 83.394  4.1937  857.471    84.589   751.763    116.313  976.148    123.242  77.308  6.2543  88.372  5.7793  -11.06405      8.515683 
1 1 1 -17 23  14 o 34.709  6.4007  155.476    51.920   155.902    69.730   154.946    77.779   34.195  8.4523  33.961  9.2075  0.2344513      12.49875 
1 1 1 -17 23  15 o 75.100  4.3443  697.955    78.825   667.760    108.329  731.932    114.913  72.718  6.1988  76.116  6.2781  -3.397797      8.822611 
1 1 1 -17 23  16 o 62.351  6.4053  494.428    95.528   421.804    110.381  711.133    190.672  56.685  8.2688  71.772  11.324  -15.08752      14.02186 
1 1 1 -17 23  17 o 48.580  7.3416  307.272    83.840   320.552    95.679   263.349    174.002  49.190  8.3125  42.284  14.283  6.906254       16.52554 
1 1 1 -17 23  18 o 34.294  8.3767  158.760    69.105   149.927    77.270   194.054    154.461  33.142  9.2542  37.392  13.405  -4.249462      16.28880 
1 1 1 -17 23  19 o 39.038  6.1614  196.633    56.426   217.132    77.535   173.552    82.274   40.225  8.2215  35.490  9.4035  4.735264       12.49079 
1 1 1 -17 23  20 o 34.738  7.6549  161.434    62.782   218.274    87.612   101.439    90.012   39.831  9.2436  28.497  10.231  11.33427       13.78832 
1 1 1 -17 23  21 o 93.087  4.7638  1081.83    107.239  1096.83    146.906  1064.72    156.905  92.560  6.5841  90.740  7.1852  1.819542       9.745633 
1 1 1 -17 23  22 o 107.307 4.7394  1434.89    123.400  1563.23    169.796  1291.22    179.649  110.694 6.3483  99.623  7.4867  11.07151       9.815861 
1 1 1 -17 23  23 o 49.556  6.1351  315.962    72.194   377.425    102.895  256.367    101.319  53.089  8.2559  42.673  9.9658  10.41679       12.94133 
1 1 1 -17 23  24 o 33.654  9.8276  159.414    85.262   116.209    213.709  167.593    92.982   34.226  14.597  34.353  10.322  -0.1263847     17.87801 
1 1 1 -17 23  25 o 28.518  10.060  107.016    86.655   60.997     212.290  116.217    94.923   31.863  14.055  29.573  10.518  2.290037       17.55500 
1 1 1 -17 23  26 o 40.692  9.7626  236.417    95.157   5.7610     212.451  294.302    106.430  29.785  13.524  45.411  9.9354  -15.62615      16.78085 
1 1 1 -17 23  27 o 27.338  8.7507  102.317    65.647   214.444    103.584  27.051     84.866   37.998  10.752  21.983  9.2792  16.01482       14.20224 
1 1 1 -17 23  28 o 58.765  5.9480  447.667    83.642   439.913    123.762  454.187    113.480  55.661  9.5051  57.476  8.3839  -1.815495      12.67420 
1 1 1 -17 23  29 o 59.165  5.8005  454.062    82.201   449.836    121.684  457.609    111.485  56.283  9.2303  57.633  8.2039  -1.349575      12.34918 
1 1 1 -17 23  30 o 20.898  8.0547  47.406     57.733   120.606    83.923   -18.3580   79.547   28.937  9.9184  18.498  8.3486  10.43965       12.96436 
1 1 1 -17 23  31 o 94.464  4.8236  1137.32    110.193  1060.95    157.023  1211.42    154.675  88.440  7.3848  95.379  6.7266  -6.938080      9.989147 
1 1 1 -17 23  32 o 21.991  8.4002  57.316     62.422   56.622     82.539   58.244     95.409   23.209  9.4093  24.106  9.9818  -0.8972759     13.71756 
1 1 1 -17 23  33 o 26.259  9.0089  98.901     69.243   27.963     91.713   192.939    105.596  21.881  9.4504  34.461  11.106  -12.57994      14.58232 
1 1 1 -17 23  34 o 52.141  6.2667  364.319    77.696   389.375    105.817  335.010    114.448  51.779  8.7332  46.305  10.436  5.474567       13.60817 
1 1 1 -17 23  35 o 32.549  10.772  170.602    99.042   166.955    112.721  182.954    207.434  31.927  11.451  32.768  14.183  -0.8413773     18.22806 
1 1 1 -17 23  36 o 49.620  9.4143  367.889    109.199  368.067    122.239  367.183    242.983  48.268  10.717  39.756  16.135  8.511909       19.36967 
1 1 1 -17 23  37 o 47.726  7.0915  313.565    79.626   325.056    112.483  302.022    112.732  45.640  10.390  43.575  10.733  2.065197       14.93825 
1 1 1 -17 23  38 o 23.242  8.7494  69.824     67.110   147.801    91.012   -23.0986   99.351   30.702  10.330  19.878  9.1100  10.82393       13.77303 
1 1 1 -17 23  39 o 31.430  11.027  161.311    104.022  -59.7924   260.088  203.413    113.495  27.243  13.139  34.588  11.535  -7.344299      17.48450 
1 1 1 -17 23  40 o 39.051  10.908  254.124    107.341  439.496    273.230  220.292    116.726  39.929  16.741  35.432  11.693  4.496655       20.42006 
1 1 1 -17 24  1  o 57.227  4.4029  403.470    60.667   363.440    82.489   450.634    89.537   53.816  6.4453  60.060  6.2349  -6.243626      8.967509 
1 1 1 -17 24  2  o 75.629  4.0832  701.873    74.653   758.974    104.545  642.464    106.637  78.292  5.5390  71.818  6.1796  6.473335       8.298668 
1 1 1 -17 24  3  o 84.281  4.0006  869.117    81.813   890.559    114.252  846.551    117.207  84.802  5.5838  82.577  5.8883  2.224594       8.114841 
1 1 1 -17 24  4  o 53.824  4.4795  357.737    57.971   293.325    81.349   424.197    82.633   48.002  7.2070  58.285  5.9253  -10.28330      9.330049 
1 1 1 -17 24  5  o 38.111  5.5385  182.853    49.717   245.874    68.227   111.502    72.596   44.022  6.5901  29.554  9.1684  14.46743       11.29106 
1 1 1 -17 24  6  o 64.807  4.2659  517.296    66.705   569.403    91.728   458.813    97.178   67.639  5.6405  60.325  6.7550  7.313755       8.800283 
1 1 1 -17 24  7  o 57.963  4.4249  414.983    61.763   439.634    84.823   387.165    90.109   59.246  5.9824  55.284  6.8652  3.962029       9.106059 
1 1 1 -17 24  8  o 13.824  6.2576  -23.4156   45.076   -29.9881   48.705   15.821     119.003  14.055  6.4174  25.552  10.895  -11.49757      12.64456 
1 1 1 -17 24  9  o 20.751  7.1150  50.223     43.187   56.402     58.617   42.886     63.870   22.753  8.2445  21.911  8.4645  0.8419609      11.81609 
1 1 1 -17 24  10 o 28.673  6.7926  107.140    46.532   111.480    63.330   102.048    68.596   29.174  8.4557  28.213  8.9362  0.9607391      12.30261 
1 1 1 -17 24  11 o 106.194 4.1963  1387.39    108.125  1312.80    151.031  1465.82    154.865  102.342 6.1099  108.267 5.9176  -5.924484      8.505798 
1 1 1 -17 24  12 o 19.212  6.9379  39.953     41.460   35.744     54.729   45.621     63.513   20.173  7.8236  22.022  8.4586  -1.848804      11.52199 
1 1 1 -17 24  13 o 59.300  4.5481  436.935    64.942   447.470    89.608   425.280    94.252   59.380  6.3163  57.643  6.8744  1.737144       9.335643 
1 1 1 -17 24  14 o 80.735  6.0243  822.076    117.164  738.702    138.594  1030.89    219.337  75.631  7.6579  87.228  10.580  -11.59708      13.06028 
1 1 1 -17 24  15 o 54.442  6.9161  381.863    89.298   342.398    102.702  504.146    180.783  50.696  8.6602  58.837  13.009  -8.141411      15.62782 
1 1 1 -17 24  16 o 36.918  8.0990  182.674    70.554   198.556    78.384   114.879    161.948  38.312  8.6382  32.912  13.237  5.400333       15.80625 
1 1 1 -17 24  17 o 19.299  7.7871  26.222     56.243   38.647     60.801   -47.4566   148.057  20.922  8.2092  24.644  11.228  -3.721527      13.90881 
1 1 1 -17 24  18 o 38.400  6.0755  190.381    54.724   127.887    72.568   272.776    83.325   30.660  9.0979  45.316  7.8631  -14.65624      12.02499 
1 1 1 -17 24  19 o 68.237  4.9816  584.302    81.912   569.810    110.704  601.835    121.767  66.343  6.9819  67.865  7.5211  -1.522614      10.26227 
1 1 1 -17 24  20 o 61.886  5.1351  482.495    76.413   559.358    103.248  389.404    113.625  65.935  6.5399  53.507  9.0762  12.42763       11.18691 
1 1 1 -17 24  21 o 31.125  8.0570  131.659    61.322   123.867    87.510   139.177    85.956   30.265  10.129  31.713  9.9987  -1.448462      14.23300 
1 1 1 -17 24  22 f 67.238  5.2340  571.076    84.718   572.124    114.670  569.816    125.708  66.120  7.2673  65.434  8.0900  0.6860580      10.87481 
1 1 1 -17 24  23 o 50.049  8.2708  338.399    96.932   -8.9431    224.440  418.042    107.472  30.252  13.799  55.782  8.1836  -25.53043      16.04304 
1 1 1 -17 24  24 o 26.969  9.4306  94.937     76.051   -218.0917  193.558  152.084    82.702   23.022  11.161  32.757  9.7106  -9.734816      14.79387 
1 1 1 -17 24  25 o 24.793  9.5280  69.256     80.613   206.384    214.303  46.654     87.003   37.172  15.128  23.531  9.6147  13.64083       17.92455 
1 1 1 -17 24  26 o 17.033  7.3760  1.9545     56.164   -131.4294  94.435   74.954     69.862   16.053  7.7852  24.574  8.9858  -8.521040      11.88929 
1 1 1 -17 24  27 o 27.303  8.5117  103.724    62.483   -71.0571   98.837   220.074    80.641   18.452  8.6677  39.475  8.6574  -21.02345      12.25070 
1 1 1 -17 24  28 o 31.979  8.5581  146.138    67.715   310.477    102.149  17.310     90.442   46.334  9.4071  21.590  9.3547  24.74383       13.26670 
1 1 1 -17 24  29 o 74.063  5.3507  706.787    95.509   656.882    134.214  757.987    135.943  68.783  8.2036  74.550  7.6224  -5.767197      11.19822 
1 1 1 -17 24  30 o 51.528  5.9109  349.636    72.566   357.923    104.608  341.948    100.747  49.746  8.9977  48.729  8.8466  1.016674       12.61827 
1 1 1 -17 24  31 o 27.556  8.5643  110.222    63.312   76.298     86.311   149.740    93.155   24.804  9.7654  31.062  10.451  -6.257940      14.30309 
1 1 1 -17 24  32 o 45.528  7.0575  285.452    75.440   268.822    105.520  302.839    107.896  41.214  10.517  44.103  10.274  -2.888851      14.70219 
1 1 1 -17 24  33 o 34.244  8.4388  172.529    69.665   98.697     96.729   252.100    100.417  26.624  10.380  39.956  10.294  -13.33211      14.61884 
1 1 1 -17 24  34 o 21.054  8.9909  30.273     81.268   2.9342     87.999   188.743    211.867  20.045  8.9340  32.773  14.259  -12.72818      16.82649 
1 1 1 -17 24  35 o 16.227  7.6717  -61.9897   79.713   -3.9685    88.186   -321.1459  186.374  19.711  8.8529  19.459  9.7098  0.2529202      13.13978 
1 1 1 -17 24  36 o 20.806  8.9300  26.411     80.903   -65.3629   116.423  112.117    112.507  19.744  9.3153  27.944  11.102  -8.199751      14.49253 
1 1 1 -17 24  37 o 39.826  8.3558  231.070    78.169   273.779    109.002  185.851    112.161  41.137  10.787  33.276  11.463  7.861294       15.74064 
1 1 1 -17 24  38 o 32.249  11.093  173.069    105.025  106.096    260.745  186.039    114.745  30.523  14.254  32.996  11.581  -2.473536      18.36562 
1 1 1 -17 24  39 o 44.662  10.519  323.380    112.114  266.605    278.050  334.403    122.515  34.011  15.454  44.448  11.327  -10.43705      19.16013 
1 1 1 -17 25  1  o 57.701  4.4216  410.848    61.434   438.201    84.786   380.615    89.139   59.200  5.9848  54.877  6.8432  4.323112       9.090996 
1 1 1 -17 25  2  o 55.319  4.6032  378.485    61.226   380.944    82.924   375.538    90.781   55.042  6.3238  54.420  7.0399  0.6218033      9.463153 
1 1 1 -17 25  3  o 58.131  4.3798  417.123    61.324   436.658    84.372   395.247    89.285   59.061  5.9695  55.933  6.7130  3.128277       8.983249 
1 1 1 -17 25  4  o 51.274  4.6410  325.919    57.114   249.780    79.530   407.005    82.072   43.954  7.7398  56.959  6.0301  -13.00505      9.811532 
1 1 1 -17 25  5  o 37.415  5.5359  176.823    48.739   204.974    68.533   148.015    69.329   39.810  7.3661  33.491  8.5132  6.319733       11.25762 
1 1 1 -17 25  6  o 81.458  4.1034  816.568    80.843   823.939    112.986  808.836    115.721  81.271  5.7671  80.440  5.9716  0.8311996      8.301734 
1 1 1 -17 25  7  o 96.506  4.0741  1143.81    95.401   1133.03    133.500  1155.06    136.382  95.295  5.8012  96.188  5.8716  -0.8924866     8.254104 
1 1 1 -17 25  8  o 118.999 4.2177  1741.83    121.781  1741.19    170.136  1742.51    174.392  118.037 5.9596  117.993 6.1122  0.4390717E-01  8.536737 
1 1 1 -17 25  9  o 81.870  4.1512  826.719    82.193   712.289    113.489  952.950    119.198  75.177  6.2791  87.317  5.6565  -12.13956      8.451200 
1 1 1 -17 25  10 o 49.142  4.8672  301.727    57.273   205.169    78.099   414.070    84.241   39.263  8.4483  57.187  6.1687  -17.92377      10.46072 
1 1 1 -17 25  11 o 42.257  5.3423  225.498    53.552   157.258    72.755   306.184    79.112   34.193  8.7369  48.780  6.8747  -14.58707      11.11733 
1 1 1 -17 25  12 o 17.607  6.8548  26.185     42.139   28.387     55.772   23.255     64.328   19.519  7.7971  20.087  8.2442  -0.5675087     11.34737 
1 1 1 -17 25  13 o 81.625  5.9453  841.221    116.941  946.613    142.314  622.121    205.195  86.059  6.8727  65.152  13.427  20.90704       15.08334 
1 1 1 -17 25  14 o 24.607  8.6366  73.290     63.813   79.234     70.409   45.951     150.999  25.585  9.0632  28.815  12.279  -3.229483      15.26154 
1 1 1 -17 25  15 o 15.863  7.0165  -11.7593   53.255   -31.4603   58.077   92.331     133.495  15.374  7.0153  30.098  12.049  -14.72361      13.94231 
1 1 1 -17 25  16 o 71.498  4.8487  639.753    83.619   653.700    124.353  628.242    112.975  70.921  7.3322  69.868  6.7481  1.053581       9.964802 
1 1 1 -17 25  17 o 51.990  5.6291  343.853    69.878   393.788    101.329  298.573    96.492   54.542  7.8857  46.894  8.8035  7.647182       11.81886 
1 1 1 -17 25  18 o 27.631  7.9969  102.621    56.680   55.940     82.675   144.020    77.858   24.200  9.5479  32.263  9.3826  -8.062918      13.38643 
1 1 1 -17 25  19 f 26.699  8.2584  95.066     58.949   132.368    85.303   60.969     81.557   31.029  9.9797  24.477  9.5345  6.551947       13.80217 
1 1 1 -17 25  20 o 26.843  8.0685  96.754     56.804   33.452     78.118   167.781    82.748   22.044  9.0706  34.570  9.5490  -12.52569      13.17043 
1 1 1 -17 25  21 o 30.843  9.6615  132.109    80.394   293.639    169.222  85.024     91.363   42.911  14.075  26.895  10.189  16.01580       17.37577 
1 1 1 -17 25  22 o 44.285  8.7310  270.331    90.483   245.603    184.163  278.199    103.887  39.425  14.562  44.203  9.9286  -4.778496      17.62452 
1 1 1 -17 25  23 o 11.157  5.5414  -132.6148  57.864   -83.2890   135.470  -143.6221  63.995   21.787  10.207  11.781  5.8476  10.00596       11.76304 
1 1 1 -17 25  24 o 55.400  5.7159  395.238    75.731   438.042    103.898  346.717    110.617  57.079  7.6981  49.411  9.5722  7.668541       12.28369 
1 1 1 -17 25  25 o 35.294  8.0700  173.350    67.605   192.061    97.304   155.890    93.997   35.866  10.506  32.546  10.477  3.319908       14.83708 
1 1 1 -17 25  26 o 28.112  8.6566  111.470    64.853   108.358    95.139   114.172    88.638   28.232  10.459  28.568  10.164  -0.3359547     14.58364 
1 1 1 -17 25  27 o 50.377  6.3202  335.818    75.555   287.065    111.171  377.665    102.998  43.351  10.647  51.858  8.4787  -8.507259      13.61015 
1 1 1 -17 25  28 o 22.012  8.4446  56.045     63.254   6.9627     94.241   96.286     85.331   21.155  9.3465  26.603  9.8950  -5.448332      13.61134 
1 1 1 -17 25  29 o 53.123  6.7398  380.958    84.920   746.887    124.530  62.879     116.103  74.303  6.9893  25.492  10.812  48.81109       12.87433 
1 1 1 -17 25  30 o 28.952  8.5987  123.333    64.801   69.741     90.368   180.059    92.972   24.422  9.8649  33.753  10.360  -9.331123      14.30542 
1 1 1 -17 25  31 o 27.491  8.7692  111.661    65.968   101.299    88.255   124.781    99.305   26.606  10.030  28.630  10.669  -2.023315      14.64371 
1 1 1 -17 25  32 o 23.214  8.6019  71.713     64.365   93.989     90.363   48.770     91.704   25.995  10.061  22.908  9.6564  3.087259       13.94517 
1 1 1 -17 25  33 o 21.799  9.3103  36.143     87.169   37.434     95.654   29.820     211.693  22.457  9.6753  27.565  12.863  -5.108374      16.09538 
1 1 1 -17 25  34 o 33.268  10.346  178.003    92.372   150.921    100.959  317.200    228.885  30.583  10.851  37.399  15.471  -6.815426      18.89692 
1 1 1 -17 25  35 f 20.459  8.3683  39.502     65.998   39.955     88.327   38.929     99.306   22.145  9.4129  22.815  9.8439  -0.6703129     13.62005 
1 1 1 -17 25  36 o 18.088  7.8847  8.6865     65.049   10.783     94.921   6.8297     89.322   20.956  9.3133  20.293  9.0257  0.6633472      12.96923 
1 1 1 -17 25  37 o 31.875  11.052  170.068    104.341  -240.7339  254.385  253.161    114.409  23.823  11.795  38.424  11.428  -14.60101      16.42360 
1 1 1 -17 25  38 o 45.398  11.168  347.530    122.172  636.411    298.992  289.630    133.856  44.934  18.016  39.388  12.484  5.545830       21.91882 
1 1 1 -17 26  1  o 110.683 4.1308  1503.54    110.937  1434.83    154.102  1577.45    159.831  107.315 5.9413  112.571 5.8719  -5.255363      8.353312 
1 1 1 -17 26  2  o 130.032 5.1545  2089.58    162.630  2154.83    190.224  1912.33    313.518  131.644 5.9553  120.302 10.858  11.34171       12.38351 
1 1 1 -17 26  3  o 35.493  5.8721  160.479    48.803   183.715    67.112   134.403    71.096   37.513  7.6329  31.879  8.8680  5.633869       11.70058 
1 1 1 -17 26  4  f 72.503  4.1393  647.996    72.518   613.943    100.977  684.267    104.213  69.956  6.0071  73.938  5.8568  -3.982109      8.389698 
1 1 1 -17 26  5  o 98.883  4.0692  1201.67    97.633   1131.73    136.331  1275.31    139.887  95.107  5.9374  101.085 5.7268  -5.977997      8.249192 
1 1 1 -17 26  6  o 41.338  5.2492  215.135    51.465   162.461    71.722   271.043    73.891   34.908  8.5382  45.953  6.8350  -11.04493      10.93706 
1 1 1 -17 26  7  o 138.876 4.4041  2378.81    148.406  2357.04    207.781  2401.49    212.040  137.108 6.2457  138.343 6.3168  -1.235489      8.883145 
1 1 1 -17 26  8  o 102.587 4.1224  1296.30    102.614  1204.85    144.062  1390.47    146.197  97.863  6.0972  105.365 5.7401  -7.501968      8.374069 
1 1 1 -17 26  9  o 80.214  4.1971  795.630    81.405   770.260    113.016  822.985    117.354  78.156  6.0055  80.788  6.0302  -2.631660      8.510543 
1 1 1 -17 26  10 o 67.038  4.3864  557.827    70.957   494.991    98.234   626.377    102.604  62.243  6.6054  70.351  6.0702  -8.108086      8.970982 
1 1 1 -17 26  11 o 26.144  8.2992  88.717     59.141   85.940     66.933   98.607     126.299  26.126  8.8582  30.264  11.844  -4.137875      14.78995 
1 1 1 -17 26  12 o 66.620  6.0390  563.729    96.558   488.435    114.864  745.112    178.280  60.989  7.9510  73.835  10.226  -12.84566      12.95321 
1 1 1 -17 26  13 o 67.755  6.0568  584.057    98.525   544.690    117.407  677.785    181.159  64.544  7.6453  69.529  11.112  -4.984177      13.48837 
1 1 1 -17 26  14 o 87.836  6.0892  980.882    128.976  938.812    155.141  1075.03    232.077  84.845  7.6170  87.513  11.185  -2.668053      13.53247 
1 1 1 -17 26  15 o 30.226  7.0154  121.711    50.459   110.743    64.697   138.743    80.624   28.640  8.6113  31.714  9.6305  -3.074329      12.91899 
1 1 1 -17 26  16 o 55.095  5.4173  385.032    71.483   437.270    101.154  332.921    101.031  57.720  7.3925  49.535  8.7244  8.184307       11.43524 
1 1 1 -17 26  17 o 21.167  8.0276  46.525     56.749   43.191     86.724   49.022     75.048   23.532  9.6052  22.983  9.0876  0.5484505      13.22291 
1 1 1 -17 26  18 o 67.549  5.0418  574.984    82.041   603.164    116.333  547.102    115.716  67.944  7.1644  64.436  7.5439  3.507973       10.40383 
1 1 1 -17 26  19 o 23.776  8.2756  70.570     58.531   73.525     87.079   68.135     79.053   25.727  9.8989  24.781  9.4562  0.9459515      13.68970 
1 1 1 -17 26  20 o 50.904  7.9037  348.019    94.456   313.259    178.961  361.441    111.207  43.704  14.481  50.969  9.3361  -7.265659      17.22960 
1 1 1 -17 26  21 o 42.853  8.8263  255.270    88.719   -86.4138   182.023  361.735    101.606  25.253  11.831  51.481  8.4255  -26.22814      14.52416 
1 1 1 -17 26  22 o 27.725  9.6041  103.649    78.787   157.859    170.810  88.999     88.797   33.901  13.609  26.794  10.069  7.106749       16.92845 
1 1 1 -17 26  23 o 55.168  5.3304  389.876    70.463   417.445    95.498   356.930    104.396  55.934  7.2038  50.558  8.8314  5.376606       11.39690 
1 1 1 -17 26  24 o 38.158  7.2233  197.894    64.429   173.299    88.514   225.610    93.963   34.207  10.020  39.121  9.8926  -4.913963      14.08081 
1 1 1 -17 26  25 f 37.096  7.7285  191.145    67.306   250.671    98.530   139.067    92.160   41.012  9.9931  30.684  10.394  10.32725       14.41890 
1 1 1 -17 26  26 f 38.767  7.5971  208.738    68.907   263.113    103.141  164.903    92.607   41.590  10.280  32.855  10.380  8.734928       14.60896 
1 1 1 -17 26  27 o 18.308  7.7395  17.652     59.183   -181.4805  95.499   141.813    75.409   14.632  7.2413  30.860  9.3010  -16.22765      11.78754 
1 1 1 -17 26  28 o 18.562  7.8476  19.624     60.852   -138.4158  97.844   119.313    77.710   15.880  7.7512  28.329  9.5450  -12.44925      12.29585 
1 1 1 -17 26  29 o 30.675  8.7787  140.573    68.653   215.089    99.172   72.002     95.134   36.561  10.577  24.697  10.068  11.86417       14.60271 
1 1 1 -17 26  30 o 22.953  8.6942  68.207     66.514   123.042    94.544   14.469     93.594   28.331  10.439  21.055  9.3078  7.276197       13.98606 
1 1 1 -17 26  31 o 26.040  8.7847  99.683     65.824   204.685    91.889   -10.9881   94.337   35.774  10.128  19.810  9.0010  15.96458       13.54974 
1 1 1 -17 26  32 o 20.019  8.7195  18.141     79.408   28.734     85.830   -44.8060   209.226  21.176  9.1441  25.475  12.154  -4.299368      15.20977 
1 1 1 -17 26  33 o 19.270  8.5058  7.6486     77.871   -6.0417    85.170   77.413     192.263  19.214  8.6584  28.199  12.827  -8.984991      15.47593 
1 1 1 -17 26  34 o 17.840  7.7419  9.9876     62.138   -69.9230   86.858   93.758     88.931   16.662  7.9158  25.850  9.9875  -9.187426      12.74399 
1 1 1 -17 26  35 o 20.782  8.1741  49.156     60.420   45.995     81.011   53.118     90.701   21.927  9.1484  22.996  9.6437  -1.068787      13.29264 
1 1 1 -17 26  36 o 47.766  11.157  379.592    126.972  525.262    291.686  345.536    141.035  41.800  17.393  43.388  12.631  -1.588123      21.49519 
1 1 1 -17 26  37 o 35.872  11.377  227.825    111.157  204.642    280.995  232.126    121.030  31.773  14.824  35.555  11.912  -3.782732      19.01714 
1 1 1 -17 27  1  o 78.659  5.0248  768.561    95.402   799.303    109.841  674.147    192.494  79.960  5.6987  70.177  11.718  9.783310       13.03019 
1 1 1 -17 27  2  o 104.883 4.1523  1353.34    105.671  1279.46    146.627  1433.18    152.424  101.055 6.0069  107.035 5.8917  -5.979942      8.414012 
1 1 1 -17 27  3  o 127.998 4.2976  2018.59    133.475  1993.49    186.328  2045.05    191.293  126.233 6.0833  127.800 6.1688  -1.567261      8.663822 
1 1 1 -17 27  4  o 72.220  4.2149  644.673    73.538   629.108    102.949  660.889    105.081  70.649  6.0643  72.437  6.0335  -1.787811      8.554445 
1 1 1 -17 27  5  o 36.721  5.5532  171.591    47.935   129.115    67.133   215.770    68.466   31.084  8.6069  40.703  7.1956  -9.619131      11.21846 
1 1 1 -17 27  6  o 68.756  4.2560  585.444    70.653   548.691    97.861   625.459    102.112  65.807  6.2019  70.368  6.0390  -4.561119      8.656369 
1 1 1 -17 27  7  o 77.047  4.2030  734.758    78.278   757.422    108.778  710.416    112.731  77.534  5.8247  74.860  6.2638  2.673416       8.553505 
1 1 1 -17 27  8  o 13.622  5.9205  -3.9520    36.453   60.423     48.688   -86.0671   54.989   22.265  7.5550  12.312  5.9637  9.953019       9.625153 
1 1 1 -17 27  9  o 41.353  7.3697  224.927    71.235   214.412    82.049   257.117    143.559  39.782  8.7389  41.834  12.879  -2.052128      15.56397 
1 1 1 -17 27  10 o 105.686 5.9601  1412.67    152.215  1359.56    188.052  1513.60    259.218  102.362 7.6260  105.342 10.272  -2.980179      12.79344 
1 1 1 -17 27  11 o 64.367  6.2236  529.382    95.987   657.680    114.104  218.806    177.531  71.555  6.6479  38.866  14.307  32.68934       15.77636 
1 1 1 -17 27  12 o 61.969  6.3574  492.834    94.238   464.031    112.159  561.986    173.790  59.189  8.0158  62.318  11.928  -3.128605      14.37109 
1 1 1 -17 27  13 o 108.761 4.2577  1467.48    112.359  1385.79    157.569  1551.98    160.266  104.203 6.2610  110.513 5.9992  -6.309868      8.671254 
1 1 1 -17 27  14 o 55.827  5.3291  394.991    71.310   420.323    102.135  370.898    99.607   56.381  7.6645  52.699  8.0447  3.682076       11.11131 
1 1 1 -17 27  15 o 37.366  7.0054  185.074    61.181   200.940    87.830   170.119    85.273   37.797  9.5678  34.741  9.7291  3.056709       13.64544 
1 1 1 -17 27  16 o 21.760  7.8767  55.035     53.484   88.186     79.908   28.132     71.986   26.607  9.6283  21.018  8.6841  5.589298       12.96602 
1 1 1 -17 27  17 o 23.557  8.0204  70.365     54.873   53.280     80.881   84.936     74.693   23.693  9.4133  26.018  9.3221  -2.325129      13.24807 
1 1 1 -17 27  18 o 36.744  8.6904  187.636    76.265   -13.6021   159.898  246.897    86.770   26.175  11.823  42.248  8.7523  -16.07354      14.70994 
1 1 1 -17 27  19 o 89.336  6.4837  1033.47    139.587  1087.38    242.425  1006.74    170.729  85.583  12.004  86.539  8.2299  -0.9555969     14.55455 
1 1 1 -17 27  20 o 38.374  9.1910  208.975    84.450   207.483    166.339  209.493    98.023   36.621  13.777  37.766  10.377  -1.145004      17.24789 
1 1 1 -17 27  21 o 32.789  9.6485  155.370    81.903   72.555     173.709  179.043    92.874   29.793  12.937  34.855  10.280  -5.062258      16.52340 
1 1 1 -17 27  22 o 83.871  5.0309  894.404    101.908  794.502    137.516  1016.10    151.778  76.967  7.4570  87.348  7.2262  -10.38090      10.38384 
1 1 1 -17 27  23 o 30.708  8.0909  133.084    61.129   102.894    83.909   167.231    89.237   27.390  9.8733  33.435  10.127  -6.044277      14.14358 
1 1 1 -17 27  24 o 32.495  8.0911  149.956    63.551   164.463    90.015   135.540    89.734   32.941  10.208  30.223  10.257  2.717760       14.47042 
1 1 1 -17 27  25 o 20.479  8.1300  42.134     60.288   93.255     91.763   3.3090     79.969   26.491  10.169  19.578  8.6317  6.913704       13.33863 
1 1 1 -17 27  26 o 15.672  7.0385  -12.9934   55.740   27.581     85.738   -42.6968   73.358   21.425  9.1943  16.386  7.6213  5.039244       11.94238 
1 1 1 -17 27  27 o 14.506  6.7871  -42.7339   59.576   -48.0702   87.895   -38.1985   81.030   17.724  8.2765  17.405  8.0658  0.3192921      11.55673 
1 1 1 -17 27  28 o 17.108  7.5090  2.5898     59.906   -33.4297   91.454   29.660     79.283   18.603  8.6026  20.799  8.8812  -2.196671      12.36450 
1 1 1 -17 27  29 o 28.654  8.7245  123.659    66.103   105.836    98.916   138.042    88.859   26.923  10.497  29.517  10.201  -2.594803      14.63687 
1 1 1 -17 27  30 o 15.177  7.3986  -119.6860  88.344   -127.6642  94.527   -64.6205   248.338  15.621  7.6234  26.337  12.736  -10.71645      14.84340 
1 1 1 -17 27  31 o 21.326  9.1768  32.522     85.834   -27.8971   95.916   275.462    192.332  19.122  8.8313  35.836  14.421  -16.71355      16.91029 
1 1 1 -17 27  32 o 45.222  9.8898  319.905    105.495  394.930    119.727  59.420     223.090  50.045  10.206  28.280  13.199  21.76477       16.68461 
1 1 1 -17 27  33 o 24.245  8.7207  83.123     65.426   182.986    92.940   -14.9805   92.117   33.481  10.372  19.372  8.8377  14.10888       13.62636 
1 1 1 -17 27  34 o 27.016  8.7095  109.615    64.942   125.560    88.665   91.161     95.385   28.283  10.154  25.657  10.213  2.625427       14.40218 
1 1 1 -17 27  35 o 36.722  11.325  235.380    110.957  495.842    277.959  186.009    121.017  40.856  16.987  32.240  11.821  8.616127       20.69551 
1 1 1 -17 27  36 o 28.933  10.658  140.205    98.546   245.234    275.909  124.847    105.505  32.349  14.954  27.743  10.834  4.606400       18.46566 
1 1 1 -17 28  1  o 14.382  6.1639  0.0476     38.444   -84.0369   51.337   107.410    58.010   11.790  5.7232  28.495  8.0402  -16.70480      9.869094 
1 1 1 -17 28  2  f 64.867  4.3528  521.783    68.113   552.362    93.958   487.914    98.883   66.157  5.9156  61.809  6.7006  4.348022       8.938278 
1 1 1 -17 28  3  o 18.979  7.0339  37.153     43.043   40.276     55.461   32.423     68.256   20.623  7.9083  21.262  8.5787  -0.6389484     11.66770 
1 1 1 -17 28  4  o 30.159  6.5241  119.078    46.353   84.136     61.088   166.501    71.167   25.713  8.4576  35.161  8.4473  -9.447367      11.95357 
1 1 1 -17 28  5  o 24.549  6.9099  78.980     42.900   3.5333     57.570   173.191    64.331   17.641  7.5513  36.127  7.5805  -18.48611      10.69983 
1 1 1 -17 28  6  o 79.659  4.1567  786.151    80.064   771.285    111.118  802.201    115.461  78.083  5.9087  79.576  6.0245  -1.493484      8.438442 
1 1 1 -17 28  7  o 56.314  6.3355  406.266    85.066   309.628    99.599   666.828    163.545  47.853  8.9057  69.940  9.9147  -22.08736      13.32719 
1 1 1 -17 28  8  o 56.938  6.3379  415.865    86.075   329.574    100.768  648.753    165.544  49.438  8.7189  68.588  10.263  -19.14924      13.46630 
1 1 1 -17 28  9  o 63.553  6.2033  516.726    94.439   522.666    111.479  501.628    177.730  63.247  7.4043  57.946  12.965  5.301521       14.93031 
1 1 1 -17 28  10 f 35.790  7.9748  173.212    67.482   145.857    76.950   264.305    140.422  32.461  9.2955  41.910  12.706  -9.449051      15.74309 
1 1 1 -17 28  11 o 92.081  6.0174  1080.20    133.705  1048.68    163.430  1143.99    232.508  89.474  7.5997  90.207  10.840  -0.7327576     13.23839 
1 1 1 -17 28  12 o 126.689 4.5873  2001.10    141.014  2228.85    201.455  1782.31    197.454  132.156 6.2824  117.352 6.9657  14.80369       9.380262 
1 1 1 -17 28  13 o 47.896  5.8227  294.625    66.277   357.588    96.110   237.534    91.519   51.714  7.9110  41.209  9.3654  10.50501       12.25949 
1 1 1 -17 28  14 o 39.583  6.8283  206.870    63.214   204.469    92.075   209.009    86.942   37.876  9.9060  38.553  9.3828  -0.6772919     13.64421 
1 1 1 -17 28  15 o 34.237  7.4617  158.340    60.236   135.352    89.505   177.371    81.439   31.129  10.237  35.461  9.3365  -4.331856      13.85549 
1 1 1 -17 28  16 o 19.273  7.7646  28.755     55.825   117.256    81.957   -47.8477   76.249   29.252  9.8026  16.950  7.8443  12.30161       12.55485 
1 1 1 -17 28  17 o 16.062  7.3665  -34.8386   65.130   17.121     148.769  -47.1585   72.440   26.477  11.718  16.451  7.6247  10.02612       13.98050 
1 1 1 -17 28  18 o 27.355  9.5169  100.218    77.403   294.313    164.794  45.277     87.677   42.209  13.892  23.433  9.6220  18.77622       16.89854 
1 1 1 -17 28  19 o 25.728  9.2859  85.249     74.256   -137.9604  154.308  152.515    84.709   21.591  10.338  32.439  9.8761  -10.84786      14.29730 
1 1 1 -17 28  20 o 63.175  5.5147  513.292    83.686   488.464    112.097  544.550    125.780  59.900  7.9058  62.800  8.4705  -2.900070      11.58671 
1 1 1 -17 28  21 o 72.856  5.1265  678.480    90.047   627.542    119.860  744.481    136.435  68.271  7.3515  74.055  7.7057  -5.784241      10.64998 
1 1 1 -17 28  22 o 19.340  7.7838  32.717     56.040   -86.5597   82.130   136.634    76.659   15.840  7.5733  30.511  9.4143  -14.67037      12.08236 
1 1 1 -17 28  23 o 43.881  6.6256  259.319    68.348   281.855    93.207   233.105    100.526  44.027  9.0280  38.809  10.445  5.217903       13.80588 
1 1 1 -17 28  24 o 46.650  6.6107  293.880    72.733   272.949    99.182   318.232    106.980  42.429  9.8271  45.857  9.9043  -3.427853      13.95236 
1 1 1 -17 28  25 o 27.758  8.5048  112.783    62.688   60.519     91.960   158.153    85.681   23.837  9.8288  31.887  9.9717  -8.049961      14.00146 
1 1 1 -17 28  26 o 29.744  8.8283  132.995    68.325   11.554     105.795  219.891    89.491   21.850  9.7630  37.614  9.7314  -15.76408      13.78466 
1 1 1 -17 28  27 o 28.378  9.1547  122.858    71.740   279.548    108.194  -0.0869    95.838   41.362  10.700  20.407  9.1913  20.95483       14.10544 
1 1 1 -17 28  28 o 48.212  7.1871  325.859    81.507   355.137    120.344  301.048    110.785  46.511  10.861  42.845  10.691  3.666542       15.23979 
1 1 1 -17 28  29 o 30.214  11.406  154.280    114.235  135.255    123.031  273.242    307.647  28.931  11.572  33.843  15.695  -4.912136      19.50030 
1 1 1 -17 28  30 o 15.339  7.5433  -150.9526  98.093   -183.7473  104.033  111.870    294.510  15.184  7.5224  30.372  14.471  -15.18804      16.30933 
1 1 1 -17 28  31 o 32.302  8.4256  156.868    66.728   62.288     97.171   241.268    91.793   23.753  9.9724  39.098  9.7180  -15.34513      13.92440 
1 1 1 -17 28  32 o 16.629  7.3404  0.4911     58.002   -9.4893    85.156   9.1284     79.219   18.925  8.5809  19.367  8.5623  -0.4418335     12.12212 
1 1 1 -17 28  33 o 21.353  8.2416  56.678     60.509   113.784    85.140   -1.6051    86.013   27.139  9.9204  19.352  8.7126  7.787134       13.20318 
1 1 1 -17 28  34 o 20.437  8.9745  21.196     85.656   131.340    259.492  7.7274     90.742   29.889  14.041  20.116  9.0111  9.773214       16.68421 
1 1 1 -17 28  35 o 23.552  9.6782  71.420     88.784   104.826    266.961  67.266     94.143   28.803  13.738  23.491  9.8367  5.311602       16.89669 
1 1 1 -17 29  1  o 32.263  6.2831  135.510    47.417   115.984    63.442   160.222    71.372   29.417  8.4451  34.398  8.5799  -4.981056      12.03886 
1 1 1 -17 29  2  o 40.559  5.4268  209.147    52.068   175.345    70.578   249.514    77.127   36.082  8.2420  43.505  7.5819  -7.423164      11.19892 
1 1 1 -17 29  3  o 112.465 4.2414  1565.02    115.741  1491.03    160.719  1644.74    166.817  108.476 6.1313  114.007 6.0521  -5.530655      8.615108 
1 1 1 -17 29  4  o 10.638  5.0772  -46.5241   36.577   -40.1329   48.543   -54.9193   55.635   13.292  6.1880  13.734  6.4675  -0.4421434     8.951013 
1 1 1 -17 29  5  o 37.147  7.9906  185.712    69.885   242.858    81.020   19.623     138.125  42.541  8.1458  26.471  11.515  16.06962       14.10497 
1 1 1 -17 29  6  o 26.060  8.5025  88.612     61.784   73.827     70.650   136.684    127.393  24.927  9.0483  32.456  12.087  -7.529236      15.09829 
1 1 1 -17 29  7  o 33.772  8.3780  155.884    68.323   149.137    78.647   176.642    137.945  32.775  9.4009  35.373  12.669  -2.597778      15.77607 
1 1 1 -17 29  8  o 24.061  8.3193  72.313     59.103   17.844     66.256   284.503    130.772  19.670  8.2452  43.721  11.975  -24.05104      14.53879 
1 1 1 -17 29  9  o 26.627  8.3980  94.656     60.633   79.993     68.181   150.090    132.574  25.290  8.9229  33.251  12.340  -7.960554      15.22835 
1 1 1 -17 29  10 o 82.006  4.2523  837.950    84.321   760.188    117.750  919.796    120.804  76.849  6.3723  84.914  5.8999  -8.065216      8.684152 
1 1 1 -17 29  11 o 28.146  8.0166  107.822    57.391   199.674    91.255   47.720     73.817   37.413  9.8989  22.680  8.9985  14.73308       13.37766 
1 1 1 -17 29  12 o 40.260  6.6610  213.389    62.793   265.047    94.054   171.847    84.344   43.586  9.1832  34.787  9.6526  8.799763       13.32306 
1 1 1 -17 29  13 o 50.979  5.7091  333.635    69.407   347.924    98.619   319.611    97.701   50.605  8.3209  48.251  8.6634  2.353485       12.01218 
1 1 1 -17 29  14 f 53.036  5.7193  361.342    72.435   424.668    103.189  299.824    101.705  56.310  7.7583  46.167  9.3987  10.14315       12.18712 
1 1 1 -17 29  15 o 22.546  8.8273  51.343     70.182   38.478     142.063  55.497     80.720   26.924  11.695  23.690  9.4064  3.234152       15.00842 
1 1 1 -17 29  16 f 67.247  7.1125  597.939    114.293  612.513    208.485  591.677    136.658  60.949  14.337  65.504  8.8226  -4.554821      16.83453 
1 1 1 -17 29  17 o 45.775  8.8382  293.834    94.610   484.595    182.171  223.379    110.711  54.184  13.814  38.306  11.202  15.87756       17.78553 
1 1 1 -17 29  18 o 36.372  9.4886  192.475    84.619   270.443    176.296  169.136    96.456   39.630  14.307  33.644  10.590  5.986111       17.80012 
1 1 1 -17 29  19 o 79.307  4.9916  801.315    95.564   875.290    135.623  728.368    134.678  81.125  6.9573  73.265  7.6907  7.860420       10.37065 
1 1 1 -17 29  20 o 35.948  7.7634  180.591    65.736   78.128     91.194   291.415    94.842   25.525  10.041  45.005  8.9995  -19.47992      13.48413 
1 1 1 -17 29  21 o 42.224  6.7534  241.200    66.858   278.018    91.292   198.610    98.187   43.844  8.8857  35.704  10.580  8.140591       13.81636 
1 1 1 -17 29  22 o 57.298  5.8956  432.704    80.796   448.902    109.157  413.076    120.159  56.382  8.2208  52.585  9.7773  3.797832       12.77409 
1 1 1 -17 29  23 o 31.929  8.0549  147.587    62.398   186.029    86.508   105.896    90.091   34.660  9.8320  27.139  10.153  7.521299       14.13326 
1 1 1 -17 29  24 o 46.273  6.5050  291.050    71.020   290.065    96.846   292.195    104.461  43.771  9.3993  43.202  10.139  0.5692520      13.82579 
1 1 1 -17 29  25 o 40.759  7.4469  235.463    70.933   124.700    99.039   352.122    101.641  28.320  10.635  48.586  8.9515  -20.26601      13.90101 
1 1 1 -17 29  26 o 52.791  6.6030  382.586    82.729   306.288    121.905  447.725    112.638  42.064  11.578  54.923  8.7453  -12.85977      14.51003 
1 1 1 -17 29  27 o 60.676  6.1045  497.499    88.653   538.206    127.745  459.680    123.131  59.676  9.1111  54.434  9.6770  5.241913       13.29125 
1 1 1 -17 29  28 o 28.293  11.136  129.054    112.204  146.367    120.551  16.856     306.881  29.436  11.556  28.613  13.913  0.8227711      18.08623 
1 1 1 -17 29  29 o 34.090  11.753  210.328    117.918  195.891    127.151  299.045    315.199  32.643  12.091  33.893  15.775  -1.250332      19.87617 
1 1 1 -17 29  30 o 18.774  8.0945  18.712     67.045   -67.1988   101.461  85.304     89.327   18.032  8.5632  24.881  9.8902  -6.849091      13.08223 
1 1 1 -17 29  31 o 37.752  7.9103  208.640    70.140   199.089    103.969  216.617    95.019   33.966  11.027  36.226  10.314  -2.259892      15.09890 
1 1 1 -17 29  32 o 15.024  6.9041  -23.8014   57.602   -5.8684    85.092   -38.9699   78.259   18.974  8.5925  16.763  7.8218  2.210636       11.61944 
1 1 1 -17 29  33 o 13.427  6.5862  -114.4096  73.297   146.532    226.267  -145.0024  77.475   29.599  13.632  13.112  6.4949  16.48774       15.10041 
1 1 1 -17 29  34 o 19.571  8.7884  8.3491     86.868   412.506    263.131  -41.0863   92.027   36.308  15.842  17.827  8.3707  18.48089       17.91722 
1 1 1 -17 30  1  o 82.970  4.2198  854.904    84.673   884.203    116.160  821.686    123.684  83.561  5.7644  80.142  6.4142  3.419044       8.623824 
1 1 1 -17 30  2  o 54.116  5.6711  372.684    73.359   333.228    82.842   516.030    157.902  50.566  6.9345  60.170  11.229  -9.603703      13.19724 
1 1 1 -17 30  3  o 70.901  6.1322  642.471    104.457  665.982    125.635  589.828    187.999  71.422  7.3548  63.004  12.736  8.418522       14.70681 
1 1 1 -17 30  4  o 75.448  6.0159  726.431    109.217  638.390    131.532  921.910    195.992  69.449  7.9486  81.626  10.112  -12.17656      12.86219 
1 1 1 -17 30  5  o 88.221  5.9958  992.573    127.583  1033.02    155.085  907.883    224.412  89.032  7.2417  78.846  12.118  10.18544       14.11690 
1 1 1 -17 30  6  o 45.355  7.0963  271.382    75.534   280.496    87.234   244.077    150.995  45.547  8.1947  39.851  13.306  5.695732       15.62676 
1 1 1 -17 30  7  o 64.366  6.2130  533.366    95.827   516.835    113.104  575.421    180.401  62.472  7.6193  62.000  12.425  0.4728966      14.57487 
1 1 1 -17 30  8  o 27.176  6.8604  99.033     45.243   134.911    61.697   57.296     66.545   31.364  8.0628  22.913  8.6921  8.450438       11.85582 
1 1 1 -17 30  9  o 51.229  5.6694  336.501    69.290   366.950    99.026   307.293    96.987   52.164  8.0855  47.237  8.7853  4.927120       11.93970 
1 1 1 -17 30  10 o 49.156  5.7219  310.649    66.970   293.944    99.669   324.399    90.425   45.822  9.2826  49.094  7.8559  -3.272087      12.16061 
1 1 1 -17 30  11 o 33.374  7.3067  150.624    57.528   168.614    86.217   136.188    77.235   34.285  9.8455  31.099  9.4219  3.185930       13.62741 
1 1 1 -17 30  12 o 41.817  6.4241  229.677    63.098   271.704    94.971   196.465    84.424   43.951  9.2006  37.147  9.3682  6.804901       13.13063 
1 1 1 -17 30  13 o 56.633  6.4770  419.088    87.403   532.453    184.579  386.322    99.234   57.786  13.421  53.462  7.8867  4.324417       15.56680 
1 1 1 -17 30  14 o 13.172  6.3450  -81.2436   60.184   -1.6928    140.819  -99.0213   66.570   24.955  11.199  13.475  6.5355  11.47955       12.96632 
1 1 1 -17 30  15 o 32.862  9.3309  155.557    77.876   0.0020     155.268  207.841    90.017   25.863  11.669  37.746  9.7573  -11.88272      15.21102 
1 1 1 -17 30  16 o 23.121  9.1624  55.317     76.447   -96.3101   158.094  101.591    87.337   22.821  10.794  27.511  10.049  -4.690121      14.74750 
1 1 1 -17 30  17 o 14.064  6.5196  -35.6994   52.999   -34.4944   80.389   -36.6257   70.487   17.832  8.1804  16.513  7.6065  1.319305       11.17039 
1 1 1 -17 30  18 o 29.714  8.1864  125.653    60.909   68.506     88.896   176.221    83.622   24.685  9.8493  34.392  9.6356  -9.706974      13.77870 
1 1 1 -17 30  19 o 24.750  8.3363  84.429     59.274   181.228    88.179   4.6336     80.060   34.496  9.9717  19.683  8.6591  14.81273       13.20665 
1 1 1 -17 30  20 o 34.516  8.0471  170.635    66.153   24.295     91.416   331.513    95.850   21.720  9.4079  48.091  8.5264  -26.37112      12.69674 
1 1 1 -17 30  21 o 48.349  6.3891  314.744    73.117   276.524    101.231  356.429    105.721  42.343  10.011  49.065  9.2187  -6.722641      13.60886 
1 1 1 -17 30  22 o 34.268  7.4898  167.044    60.538   260.895    84.556   68.347     86.711   42.194  8.5520  23.967  9.6695  18.22661       12.90877 
1 1 1 -17 30  23 o 28.425  8.3331  120.093    61.195   169.505    89.229   76.214     84.084   32.436  10.181  24.276  9.6127  8.159992       14.00234 
1 1 1 -17 30  24 o 50.414  6.2942  345.819    75.316   320.428    104.732  373.011    108.387  45.174  9.8340  49.349  9.3949  -4.175503      13.60047 
1 1 1 -17 30  25 o 53.142  6.3612  386.192    80.394   340.068    113.154  433.208    114.242  45.692  10.435  53.351  9.1547  -7.659817      13.88174 
1 1 1 -17 30  26 o 24.862  8.9314  91.503     68.606   47.660     105.716  123.402    90.173   23.130  10.068  27.758  10.200  -4.627871      14.33185 
1 1 1 -17 30  27 o 26.100  10.827  96.932     112.538  59.327     120.969  338.869    306.832  24.385  10.688  34.431  15.864  -10.04599      19.12829 
1 1 1 -17 30  28 o 21.097  9.4123  17.442     97.935   -9.1731    104.627  205.742    278.294  20.373  9.3410  31.561  14.734  -11.18845      17.44580 
1 1 1 -17 30  29 o 26.009  8.6769  102.396    64.213   -46.7276   96.443   221.147    86.063   18.235  8.5645  37.347  9.4805  -19.11267      12.77615 
1 1 1 -17 30  30 o 17.188  7.6595  -1.1199    64.655   -53.4072   94.588   44.736     88.580   17.806  8.3995  21.997  9.3900  -4.191389      12.59852 
1 1 1 -17 30  31 o 19.809  8.6628  20.692     79.086   -32.2494   231.850  27.663     84.132   25.606  12.363  20.601  8.9740  5.004854       15.27700 
1 1 1 -17 30  32 o 19.331  8.8008  -4.1446    90.752   222.229    252.934  -37.5925   97.225   31.229  14.394  18.466  8.6494  12.76351       16.79300 
1 1 1 -17 30  33 o 29.588  10.599  155.498    96.560   357.428    251.982  120.741    104.540  34.282  15.208  26.827  10.688  7.455788       18.58806 
1 1 1 -17 31  1  o 31.523  8.2429  136.134    63.762   124.499    71.431   181.756    141.449  30.077  9.0496  35.542  12.818  -5.465021      15.69063 
1 1 1 -17 31  2  o 31.688  8.4301  138.253    65.949   164.936    75.756   54.744     134.018  34.403  8.9794  27.560  11.648  6.843695       14.70763 
1 1 1 -17 31  3  o 18.944  7.7427  23.767     56.443   3.9177     63.668   96.640     121.993  18.289  7.8865  29.224  11.576  -10.93485      14.00755 
1 1 1 -17 31  4  o 111.690 6.2262  1600.39    168.062  1661.17    209.136  1489.58    282.380  112.174 7.7309  101.128 11.726  11.04607       14.04480 
1 1 1 -17 31  5  o 95.175  4.6966  1133.87    108.459  1074.86    168.467  1175.64    141.740  90.024  7.7892  95.713  6.1355  -5.689217      9.915439 
1 1 1 -17 31  6  o 67.622  4.4270  572.924    72.236   538.161    99.104   612.328    105.511  64.418  6.4262  68.766  6.3969  -4.347794      9.067303 
1 1 1 -17 31  7  o 20.042  7.6384  41.432     51.540   53.462     75.366   30.864     70.641   23.173  9.1245  20.973  8.6272  2.200081       12.55728 
1 1 1 -17 31  8  o 17.721  7.1839  22.207     48.108   -75.5543   75.390   89.361     62.484   15.621  7.4075  25.890  8.5555  -10.26943      11.31673 
1 1 1 -17 31  9  o 52.469  5.6196  353.650    70.430   258.798    101.282  442.465    98.006   42.319  10.019  57.824  7.1367  -15.50478      12.30073 
1 1 1 -17 31  10 o 64.183  5.0046  522.352    77.323   539.566    110.504  505.838    108.233  63.761  7.2727  61.638  7.3837  2.123039       10.36398 
1 1 1 -17 31  11 o 42.796  6.1401  239.638    61.932   180.882    91.980   288.368    83.766   35.117  10.194  46.087  7.7669  -10.96935      12.81566 
1 1 1 -17 31  12 o 10.733  5.3352  -125.2041  54.058   -78.0592   134.171  -134.3403  59.064   21.627  10.140  11.258  5.5930  10.36837       11.57990 
1 1 1 -17 31  13 o 16.837  7.5022  -11.8388   62.009   -107.3690  133.314  14.535     70.048   20.584  9.7871  19.540  8.3459  1.043814       12.86237 
1 1 1 -17 31  14 o 22.838  8.6426  60.896     65.688   78.761     144.778  56.265     73.712   28.398  12.061  22.969  9.0303  5.429758       15.06664 
1 1 1 -17 31  15 o 55.222  7.5511  415.196    98.527   449.703    193.390  403.099    114.502  49.679  14.877  53.047  9.2311  -3.368153      17.50850 
1 1 1 -17 31  16 o 38.201  7.4794  201.850    66.847   268.538    94.917   136.222    94.160   42.799  9.3974  30.266  10.499  12.53289       14.09005 
1 1 1 -17 31  17 o 27.965  8.3375  112.184    60.837   132.688    89.887   94.852     82.642   29.777  10.262  26.342  9.7497  3.435453       14.15479 
1 1 1 -17 31  18 o 32.955  7.9374  155.412    62.714   115.526    90.879   191.676    86.653   28.109  10.253  35.405  9.7685  -7.295698      14.16168 
1 1 1 -17 31  19 o 54.231  5.8331  389.074    75.549   387.847    108.441  390.231    105.312  51.391  9.0259  51.893  8.6697  -0.5022659     12.51520 
1 1 1 -17 31  20 o 42.115  7.3037  248.350    71.931   357.629    105.865  154.637    98.036   48.860  9.2688  30.991  10.715  17.86935       14.16732 
1 1 1 -17 31  21 o 12.557  6.0044  -57.4003   51.668   -113.0023  74.237   -5.1648    71.955   13.725  6.7104  17.921  8.0265  -4.196899      10.46199 
1 1 1 -17 31  22 o 13.463  6.2636  -31.9527   49.609   -29.4817   73.610   -34.0090   67.150   16.758  7.7386  15.779  7.3230  0.9798145      10.65417 
1 1 1 -17 31  23 o 23.212  8.2225  76.623     57.954   46.136     90.000   98.219     75.748   22.214  9.4733  25.593  9.3570  -3.379114      13.31527 
1 1 1 -17 31  24 o 31.290  8.3496  148.996    64.570   183.864    97.297   121.554    86.317   32.710  10.670  27.548  10.001  5.162172       14.62409 
1 1 1 -17 31  25 o 26.020  10.090  103.647    91.014   107.727    94.046   43.421     361.342  26.361  10.247  29.091  14.339  -2.729971      17.62397 
1 1 1 -17 31  26 o 16.494  7.9207  -82.1089   92.054   -101.7544  97.846   69.252     271.591  16.461  7.9686  28.300  13.594  -11.83926      15.75729 
1 1 1 -17 31  27 o 16.153  7.7867  -89.9810   91.081   -91.6465   95.616   -73.6623   299.299  16.551  7.9786  26.564  13.085  -10.01279      15.32573 
1 1 1 -17 31  28 o 45.228  7.4308  294.004    78.714   458.116    117.938  162.176    105.702  54.462  9.2560  30.452  11.065  24.01003       14.42630 
1 1 1 -17 31  29 o 11.958  5.8270  -81.0968   54.627   -87.6522   90.257   -77.3075   68.623   16.141  7.7739  14.032  6.7632  2.108565       10.30410 
1 1 1 -17 31  30 o 21.120  9.1590  35.385     86.851   70.480     248.386  30.496     92.702   27.715  13.228  21.219  9.3265  6.496859       16.18555 
1 1 1 -17 31  31 o 17.641  8.0332  -9.4041    75.661   -313.9604  247.107  22.102     79.479   21.487  10.788  19.691  8.6457  1.796837       13.82501 
1 1 1 -17 31  32 o 23.027  9.6769  69.501     91.642   -278.5824  257.992  119.761    98.035   21.917  11.007  26.520  10.418  -4.602795      15.15527 
1 1 1 -17 32  1  o 33.936  8.3227  159.312    68.009   213.589    78.262   -8.0761    137.438  39.343  8.4503  24.724  11.082  14.61916       13.93601 
1 1 1 -17 32  2  o 89.970  6.0595  1039.65    131.510  1004.12    160.392  1112.53    229.729  86.981  7.6784  87.815  11.025  -0.8333893     13.43508 
1 1 1 -17 32  3  o 96.647  4.2090  1163.61    98.704   1115.74    136.064  1216.77    143.401  93.187  6.0504  97.278  6.1063  -4.091522      8.596173 
1 1 1 -17 32  4  o 69.885  4.9171  617.186    82.847   642.955    119.952  593.680    114.562  69.803  7.1849  67.080  7.1486  2.722290       10.13535 
1 1 1 -17 32  5  o 27.620  8.0213  104.704    56.939   135.786    82.908   76.956     78.334   30.937  9.8269  25.285  9.4656  5.652168       13.64430 
1 1 1 -17 32  6  o 16.895  7.2547  4.7171     53.438   99.110     78.995   -74.9264   72.561   27.293  9.6071  15.234  7.2367  12.05846       12.02778 
1 1 1 -17 32  7  o 26.776  7.7338  98.111     53.061   -4.9285    76.163   195.286    73.964   19.082  8.4179  37.470  8.3489  -18.38861      11.85598 
1 1 1 -17 32  8  o 43.890  5.9806  251.114    62.032   193.655    87.816   308.337    87.636   36.519  9.7336  47.603  7.8617  -11.08368      12.51202 
1 1 1 -17 32  9  o 38.067  6.9682  194.764    61.990   170.737    90.764   215.771    84.868   34.057  10.191  38.862  9.1515  -4.804760      13.69658 
1 1 1 -17 32  10 o 45.328  7.9320  282.012    84.063   166.703    169.614  319.558    96.786   33.819  13.566  47.804  8.6631  -13.98551      16.09623 
1 1 1 -17 32  11 o 57.478  7.0051  440.838    95.676   487.302    179.272  422.333    113.135  54.013  13.668  54.888  8.7916  -0.8755264     16.25110 
1 1 1 -17 32  12 o 23.013  8.6015  63.873     64.635   -63.7747   141.597  97.471     72.645   22.435  10.486  26.631  9.2223  -4.195963      13.96440 
1 1 1 -17 32  13 o 23.191  8.7495  64.969     67.194   187.469    147.029  32.630     75.544   34.168  12.930  21.178  8.8350  12.98986       15.66030 
1 1 1 -17 32  14 o 26.081  8.2078  95.590     57.947   60.329     88.214   122.355    76.855   23.981  9.7256  28.949  9.4848  -4.968231      13.58488 
1 1 1 -17 32  15 o 28.702  7.9437  117.592    57.200   172.378    88.694   78.579     74.845   33.500  10.085  24.602  9.2441  8.898485       13.68059 
1 1 1 -17 32  16 o 23.073  8.0012  71.867     54.690   105.403    87.943   50.719     69.836   27.165  10.057  21.828  8.7230  5.337002       13.31290 
1 1 1 -17 32  17 o 12.127  5.8295  -62.9288   50.156   -70.2742   78.910   -57.9494   64.969   15.840  7.5310  14.561  6.8965  1.279628       10.21164 
1 1 1 -17 32  18 o 57.176  5.6696  432.228    77.618   402.254    112.634  459.336    107.112  51.797  9.3039  56.786  7.9952  -4.989117      12.26731 
1 1 1 -17 32  19 o 48.143  6.3666  315.291    72.545   414.721    104.846  223.964    100.483  53.355  8.3743  36.838  10.644  16.51781       13.54306 
1 1 1 -17 32  20 o 40.320  7.1655  229.798    67.534   233.613    104.335  227.047    88.598   37.138  10.879  37.920  9.6154  -0.7820015     14.51923 
1 1 1 -17 32  21 o 19.285  7.7006  39.904     54.378   -49.0967   85.329   100.764    70.561   17.071  8.0302  25.782  9.0794  -8.710991      12.12105 
1 1 1 -17 32  22 o 34.292  7.7341  173.550    62.819   203.411    92.071   147.542    85.926   34.815  10.226  29.826  10.037  4.988789       14.32846 
1 1 1 -17 32  23 o 25.344  8.3504  97.366     59.539   170.191    88.067   36.058     80.804   31.749  10.133  20.789  8.9237  10.95940       13.50197 
1 1 1 -17 32  24 o 16.536  7.8818  -65.8387   87.565   -69.5322   90.289   -7.3753    359.214  16.678  7.9645  28.063  13.916  -11.38505      16.03406 
1 1 1 -17 32  25 o 24.576  10.158  83.295     98.539   76.362     102.256  173.481    368.808  24.267  10.211  30.315  14.850  -6.047979      18.02244 
1 1 1 -17 32  26 f 31.522  8.8636  156.790    70.627   170.413    108.314  146.714    93.154   30.760  11.198  29.328  10.421  1.431627       15.29653 
1 1 1 -17 32  27 o 20.249  8.1592  46.394     61.653   219.252    98.860   -63.6256   78.870   35.565  10.634  15.714  7.4873  19.85141       13.00530 
1 1 1 -17 32  28 o 15.077  6.8677  -15.7291   55.357   31.122     92.128   -42.2031   69.253   21.180  9.3037  15.459  7.2597  5.720516       11.80096 
1 1 1 -17 32  29 o 18.353  8.0342  15.305     68.175   -97.1201   224.716  26.702     71.547   23.647  11.586  19.375  8.3576  4.272226       14.28561 
1 1 1 -17 32  30 o 22.690  9.0518  71.679     75.070   -88.5514   252.853  87.167     78.615   24.274  11.971  24.023  9.3600  0.2508717      15.19554 
1 1 1 -17 32  31 o 18.002  8.0693  7.0713     72.892   133.137    256.588  -3.9955    76.024   27.467  13.199  17.687  8.0533  9.780062       15.46183 
1 1 1 -17 33  1  o 110.627 4.3485  1529.56    116.725  1439.28    160.992  1629.62    169.482  105.455 6.3209  112.314 6.2437  -6.859200      8.884683 
1 1 1 -17 33  2  o 34.066  7.8651  159.970    63.696   118.597    92.878   196.708    87.520   29.362  10.408  36.899  9.6614  -7.536419      14.20135 
1 1 1 -17 33  3  o 79.128  4.7994  790.741    91.712   807.580    131.502  774.794    127.971  78.278  6.9973  76.702  6.9516  1.575874       9.863398 
1 1 1 -17 33  4  o 81.133  4.9077  833.151    96.158   839.999    137.594  826.614    134.437  79.611  7.2009  79.080  7.0813  0.5314941      10.09941 
1 1 1 -17 33  5  o 41.485  6.6132  228.423    64.333   137.830    90.075   322.757    91.915   30.932  10.275  48.520  8.0924  -17.58759      13.07880 
1 1 1 -17 33  6  o 51.876  5.8832  349.514    72.744   425.654    97.282   252.943    109.559  56.374  7.2822  40.913  10.857  15.46065       13.07269 
1 1 1 -17 33  7  o 55.066  5.5318  390.961    72.913   411.355    101.440  369.163    104.874  54.959  7.8280  51.368  8.7263  3.591396       11.72293 
1 1 1 -17 33  8  o 21.462  8.6675  41.478     69.744   46.846     144.978  39.862     79.555   26.940  11.757  22.160  9.1401  4.780298       14.89148 
1 1 1 -17 33  9  o 28.369  9.2731  114.454    73.479   208.711    144.355  81.492     85.366   35.809  12.944  25.647  9.8171  10.16190       16.24544 
1 1 1 -17 33  10 o 37.204  8.9075  199.979    79.344   349.430    165.669  155.495    90.385   44.585  13.853  32.182  10.264  12.40235       17.24171 
1 1 1 -17 33  11 o 36.439  8.8216  192.487    77.163   182.528    157.245  195.645    88.558   33.698  13.208  36.068  9.8441  -2.369850      16.47271 
1 1 1 -17 33  12 f 35.477  7.2269  174.113    60.098   171.926    93.913   175.631    78.210   33.347  10.442  34.434  9.1897  -1.086216      13.90962 
1 1 1 -17 33  13 o 28.330  8.1073  115.380    58.554   241.681    89.692   21.570     77.299   40.264  9.3585  20.365  8.7345  19.89874       12.80130 
1 1 1 -17 33  14 o 22.243  7.8991  65.272     53.516   -46.4235   85.011   138.594    68.877   17.528  8.1699  30.553  8.8076  -13.02456      12.01334 
1 1 1 -17 33  15 o 24.880  8.2946  88.182     58.683   153.911    91.992   43.082     76.201   31.157  10.385  21.547  8.9212  9.609766       13.69078 
1 1 1 -17 33  16 o 59.509  5.3860  464.883    76.927   465.437    111.080  464.373    106.639  56.769  8.3103  57.122  7.9059  -0.3527794     11.47010 
1 1 1 -17 33  17 o 41.737  6.9040  242.631    67.473   332.379    99.568   166.418    91.753   46.943  9.0697  31.899  10.359  15.04477       13.76847 
1 1 1 -17 33  18 o 38.599  7.4848  214.018    67.571   312.278    104.011  142.266    88.881   44.357  9.9134  29.565  10.203  14.79129       14.22603 
1 1 1 -17 33  19 o 18.804  7.8068  30.635     58.582   124.255    91.993   -33.2301   75.980   27.756  10.284  16.733  7.7740  11.02278       12.89157 
1 1 1 -17 33  20 o 19.108  7.7627  37.416     56.303   21.791     90.472   47.292     71.928   20.656  9.1404  21.002  8.6793  -0.3456631     12.60467 
1 1 1 -17 33  21 o 20.746  8.0319  54.907     57.606   73.130     88.761   41.646     75.719   23.562  9.6790  20.758  8.7637  2.804195       13.05697 
1 1 1 -17 33  22 o 20.505  9.0762  23.323     89.279   7.2117     92.104   273.936    363.260  19.889  8.9794  31.360  15.223  -11.47042      17.67379 
1 1 1 -17 33  23 f 38.197  11.377  267.709    113.314  170.546    119.507  1133.06    356.647  30.152  11.598  53.657  20.176  -23.50457      23.27155 
1 1 1 -17 33  24 o 36.197  10.964  235.198    104.588  227.457    108.756  330.441    381.482  35.138  11.265  31.950  15.530  3.188190       19.18551 
1 1 1 -17 33  25 o 9.5866  4.8149  -132.2660  49.471   -99.4153   79.198   -153.2856  63.351   14.486  7.0495  11.075  5.5465  3.411366       8.969906 
1 1 1 -17 33  26 o 17.154  7.3689  15.977     55.174   -39.9665   93.462   45.902     68.356   17.973  8.4382  20.539  8.4720  -2.565460      11.95739 
1 1 1 -17 33  27 o 10.421  5.1446  -89.8649   47.126   -146.6048  95.238   -71.4675   54.231   14.882  7.3406  12.191  5.9095  2.691023       9.423726 
1 1 1 -17 33  28 o 25.567  9.9376  105.358    88.453   472.269    256.577  55.869     94.230   37.532  16.000  22.389  9.6242  15.14261       18.67166 
1 1 1 -17 33  29 f 23.857  9.2816  87.839     77.217   -18.3629   253.070  98.742     81.083   24.948  12.238  24.776  9.5467  0.1717300      15.52098 
1 1 1 -17 33  30 o 10.436  5.1679  -95.1602   48.909   -362.0994  218.749  -81.1138   50.179   19.056  9.6354  11.098  5.4449  7.958451       11.06740 
1 1 1 -17 34  1  o 43.514  6.8436  252.676    69.871   254.751    102.655  250.886    95.371   41.500  10.254  41.610  9.6359  -0.1099548     14.07110 
1 1 1 -17 34  2  o 62.553  5.3351  501.385    80.200   496.133    115.863  506.217    111.126  60.198  8.1411  61.209  7.6493  -1.011108      11.17091 
1 1 1 -17 34  3  o 46.162  6.4921  281.983    70.708   234.417    103.169  324.116    97.098   39.454  10.566  48.118  8.6338  -8.663845      13.64467 
1 1 1 -17 34  4  o 86.966  5.3384  968.089    112.103  1121.64    149.978  773.688    168.751  92.223  6.7492  73.511  9.6976  18.71217       11.81500 
1 1 1 -17 34  5  o 77.147  6.4473  781.922    119.581  870.335    203.896  735.567    147.638  75.699  11.459  72.813  8.5175  2.886292       14.27806 
1 1 1 -17 34  6  o 17.884  7.8035  2.0316     63.861   -79.8123   127.969  29.172     73.692   20.791  9.7963  20.808  8.7072  -0.1715660E-01 13.10657 
1 1 1 -17 34  7  o 28.588  9.2818  117.574    73.663   13.108     141.489  156.419    86.278   25.050  11.235  32.336  9.9892  -7.285717      15.03333 
1 1 1 -17 34  8  o 19.506  8.2195  22.176     66.407   -51.9541   133.593  46.505     76.532   22.012  10.254  22.211  9.0397  -0.1983719     13.66951 
1 1 1 -17 34  9  o 35.093  9.3823  183.461    81.432   265.932    163.185  156.115    93.968   38.401  13.777  31.898  10.490  6.502895       17.31559 
1 1 1 -17 34  10 o 47.897  6.0697  304.406    68.957   237.011    96.703   374.127    98.358   39.297  10.090  51.536  8.1355  -12.23907      12.96115 
1 1 1 -17 34  11 o 19.331  7.7526  35.348     55.376   80.636     89.168   6.9151     70.653   25.218  9.9265  18.725  8.1884  6.493052       12.86799 
1 1 1 -17 34  12 o 35.132  7.1895  172.772    59.221   188.177    89.617   160.829    78.905   34.616  10.066  32.414  9.4510  2.201363       13.80750 
1 1 1 -17 34  13 o 14.642  6.6132  -14.7735   50.020   -61.5525   87.432   7.9872     60.987   17.069  8.0592  17.605  7.6550  -0.5362530     11.11527 
1 1 1 -17 34  14 o 17.801  7.4394  21.985     53.700   31.673     85.232   15.607     69.152   21.279  9.1503  18.903  8.1851  2.375618       12.27696 
1 1 1 -17 34  15 o 43.077  6.6988  256.957    67.743   291.899    104.025  231.227    89.265   42.639  10.193  38.332  9.6142  4.306915       14.01172 
1 1 1 -17 34  16 o 10.487  5.1103  -66.5211   42.037   -148.4408  74.480   -28.2277   50.922   12.708  6.3077  13.835  6.4055  -1.127036      8.989847 
1 1 1 -17 34  17 o 26.306  8.5969  105.761    63.155   10.482     87.168   211.037    91.628   19.881  8.8740  35.632  10.123  -15.75135      13.46168 
1 1 1 -17 34  18 o 21.470  8.3590  59.736     62.664   47.765     87.747   72.196     89.519   21.908  9.3486  23.566  9.7050  -1.658047      13.47527 
1 1 1 -17 34  19 o 25.173  8.8840  98.101     67.592   44.341     90.677   165.322    101.397  21.748  9.3950  30.387  10.864  -8.638876      14.36301 
1 1 1 -17 34  20 o 17.215  7.6840  1.9047     65.354   -15.9619   92.376   19.809     92.472   18.779  8.6708  20.448  9.1326  -1.668232      12.59314 
1 1 1 -17 34  21 o 37.665  10.776  252.654    103.457  267.568    107.535  67.127     379.279  38.566  10.970  28.295  14.076  10.27100       17.84540 
1 1 1 -17 34  22 o 21.349  9.3082  39.914     90.698   26.406     93.470   257.560    375.192  20.788  9.2402  30.449  14.929  -9.660845      17.55734 
1 1 1 -17 34  23 o 47.059  6.5860  312.278    73.141   299.695    104.922  324.173    102.014  41.835  10.385  44.489  9.7219  -2.654083      14.22527 
1 1 1 -17 34  24 o 37.875  7.9545  216.209    70.775   172.217    101.849  257.289    98.422   30.744  10.899  38.740  10.295  -7.995951      14.99261 
1 1 1 -17 34  25 o 15.956  7.1258  -1.9218    56.280   16.080     87.708   -14.5219   73.379   19.884  8.8865  17.100  7.8339  2.783468       11.84653 
1 1 1 -17 34  26 o 13.499  6.5323  -77.1757   65.605   -148.2069  229.920  -70.8799   68.451   22.672  11.223  14.081  6.7787  8.591712       13.11157 
1 1 1 -17 34  27 o 14.945  6.9587  -28.8605   61.423   -239.1947  238.976  -13.9824   63.558   21.546  10.788  15.964  7.3051  5.582296       13.02849 
1 1 1 -17 34  28 o 19.457  8.4235  32.663     73.214   45.922     232.338  31.201     77.145   25.209  12.223  19.621  8.5689  5.587803       14.92711 
1 1 1 -17 35  1  o 54.137  5.9352  382.773    76.685   514.455    110.912  262.169    106.144  61.543  7.5881  41.609  10.510  19.93366       12.96326 
1 1 1 -17 35  2  o 62.117  6.4928  510.177    96.414   539.517    176.552  497.710    115.091  57.393  12.982  60.024  8.1100  -2.630573      15.30685 
1 1 1 -17 35  3  o 25.030  9.2545  81.151     74.420   155.444    132.234  46.712     90.032   32.045  12.230  23.280  9.6727  8.764860       15.59246 
1 1 1 -17 35  4  o 28.530  9.4135  117.634    75.654   82.498     137.809  132.792    90.513   27.887  11.801  29.966  10.299  -2.079624      15.66289 
1 1 1 -17 35  5  o 28.140  9.4082  114.464    75.492   401.847    150.837  18.420     87.199   49.166  12.589  21.189  9.1831  27.97724       15.58268 
1 1 1 -17 35  6  o 12.469  6.0549  -85.7374   57.598   -8.2808    119.585  -109.1334  65.723   22.437  10.171  12.870  6.2972  9.566807       11.96282 
1 1 1 -17 35  7  o 38.821  8.9393  221.331    82.464   238.753    155.296  214.490    97.318   36.537  13.392  37.061  10.399  -0.5239677     16.95496 
1 1 1 -17 35  8  o 18.364  7.5812  25.094     54.799   -24.9251   79.223   70.980     75.879   17.890  8.1749  23.857  9.2233  -5.967346      12.32469 
1 1 1 -17 35  9  o 36.560  7.6077  189.439    65.291   170.185    93.122   208.056    91.569   32.726  10.417  36.476  10.033  -3.749607      14.46241 
1 1 1 -17 35  10 o 30.722  8.0733  137.972    60.968   97.719     88.061   175.031    84.495   26.247  9.9888  33.444  9.7882  -7.197226      13.98523 
1 1 1 -17 35  11 o 27.337  8.4552  110.906    61.793   196.090    91.562   39.659     83.738   34.920  10.181  21.703  9.1923  13.21627       13.71651 
1 1 1 -17 35  12 o 18.550  7.5097  32.404     52.493   37.311     82.390   29.052     68.106   21.347  9.0827  19.676  8.3093  1.670767       12.31017 
1 1 1 -17 35  13 o 35.851  7.4093  184.820    62.322   189.977    95.226   180.955    82.426   33.666  10.510  33.652  9.6151  0.1354599E-01  14.24465 
1 1 1 -17 35  14 o 24.757  8.2896  90.968     58.609   237.770    92.344   -8.0577    75.843   38.305  9.8731  17.947  8.1212  20.35785       12.78408 
1 1 1 -17 35  15 o 33.525  8.4896  172.744    69.131   230.720    97.456   114.026    98.078   36.853  10.429  26.768  10.448  10.08537       14.76220 
1 1 1 -17 35  16 o 23.575  8.6260  81.908     64.394   125.951    91.447   38.591     90.691   27.502  10.241  21.455  9.3318  6.046675       13.85479 
1 1 1 -17 35  17 o 36.505  8.1198  202.803    70.065   140.530    97.403   269.575    100.861  28.373  10.568  39.641  10.368  -11.26844      14.80472 
1 1 1 -17 35  18 o 42.339  7.3953  262.829    73.208   194.098    100.526  340.439    106.823  32.529  10.857  45.180  10.008  -12.65146      14.76576 
1 1 1 -17 35  19 o 44.969  12.311  394.679    138.250  394.679    138.250  0.0000     0.0000   44.969  12.311  ?       ?       0.000000       12.31057 
1 1 1 -17 35  20 o 46.009  10.550  366.525    115.263  406.475    127.943  194.424    265.552  47.436  11.281  29.228  13.873  18.20804       17.88017 
1 1 1 -17 35  21 o 27.431  10.281  131.031    92.464   148.928    95.962   -101.1277  345.625  28.781  10.530  25.786  12.920  2.994711       16.66779 
1 1 1 -17 35  22 o 13.271  6.3861  -65.3792   60.582   -128.9064  79.850   20.788     92.996   13.626  6.7208  20.371  9.1242  -6.745540      11.33226 
1 1 1 -17 35  23 o 10.339  5.1891  -145.1409  56.932   -240.5308  75.443   -18.9673   86.766   10.850  5.5039  18.063  8.3623  -7.213100      10.01101 
1 1 1 -17 35  24 o 13.048  6.2375  -54.0723   55.690   -15.3512   77.472   -95.4740   80.109   17.356  7.9874  14.577  7.0926  2.779820       10.68191 
1 1 1 -17 35  25 o 23.527  9.2242  84.248     76.715   140.303    229.069  77.167     81.416   27.592  13.033  23.075  9.3486  4.516918       16.03915 
1 1 1 -17 35  26 f 16.569  7.5995  -11.9810   69.334   222.373    223.760  -36.8718   72.923   29.176  13.479  15.774  7.4211  13.40160       15.38720 
1 1 1 -17 35  27 o 34.634  10.119  219.182    90.378   67.588     265.248  239.094    96.130   25.424  12.483  35.829  10.427  -10.40435      16.26519 
1 1 1 -17 36  1  o 17.768  7.9553  -11.1187   70.622   117.398    119.655  -79.8220   87.486   29.082  11.483  16.656  7.9221  12.42603       13.95020 
1 1 1 -17 36  2  o 24.497  9.1984  77.468     74.083   200.678    131.325  19.957     89.723   34.703  12.369  21.422  9.2995  13.28092       15.47459 
1 1 1 -17 36  3  o 40.591  9.3453  244.947    90.137   164.388    151.314  289.258    112.221  32.144  12.842  42.889  10.792  -10.74485      16.77475 
1 1 1 -17 36  4  o 34.704  9.6672  183.710    84.426   134.915    156.812  203.627    100.186  30.501  12.727  35.764  10.708  -5.262081      16.63221 
1 1 1 -17 36  5  o 18.956  7.8398  27.586     58.753   56.546     82.730   -1.8824    83.454   23.067  9.3946  19.476  8.6889  3.591095       12.79672 
1 1 1 -17 36  6  o 15.198  6.7562  -6.9592    49.984   0.3157     72.673   -13.4902   68.857   18.453  8.1773  17.237  7.7745  1.215929       11.28326 
1 1 1 -17 36  7  o 56.477  5.6778  421.707    76.753   441.719    107.003  400.498    110.157  55.502  8.1917  51.950  9.0689  3.552261       12.22083 
1 1 1 -17 36  8  o 46.940  6.3286  299.037    70.243   274.620    97.737   325.122    101.021  41.994  9.7750  46.308  9.3135  -4.313587      13.50156 
1 1 1 -17 36  9  f 23.838  8.3597  80.757     59.780   139.530    87.051   28.303     82.238   29.536  10.102  20.774  8.9607  8.761713       13.50327 
1 1 1 -17 36  10 f 22.597  8.2694  70.036     59.184   196.196    85.376   -46.6717   82.116   35.012  9.7102  16.897  7.9255  18.11546       12.53400 
1 1 1 -17 36  11 o 11.563  5.5883  -63.6767   47.649   -27.5814   79.747   -83.7176   59.422   17.402  8.0424  12.596  6.1240  4.806306       10.10857 
1 1 1 -17 36  12 o 14.566  6.6623  -19.1655   52.773   -109.4529  86.136   35.092     66.773   15.040  7.3259  19.756  8.2791  -4.716495      11.05500 
1 1 1 -17 36  13 o 26.359  8.3712  106.879    60.166   80.731     91.199   127.029    80.061   24.158  9.8542  27.868  9.6799  -3.709763      13.81326 
1 1 1 -17 36  14 o 28.643  8.8969  131.498    68.336   163.107    99.309   103.071    94.178   30.185  10.756  25.610  10.163  4.574495       14.79800 
1 1 1 -17 36  15 o 20.450  8.2830  49.948     63.897   149.372    90.642   -48.2653   90.088   29.159  10.288  17.225  8.1473  11.93467       13.12343 
1 1 1 -17 36  16 o 44.168  7.1104  283.390    73.617   292.169    101.192  273.520    107.295  41.305  10.166  38.765  10.933  2.540031       14.92913 
1 1 1 -17 36  17 o 16.541  7.9451  -71.9876   92.754   -112.2858  101.729  126.650    225.855  16.183  7.9002  27.371  12.932  -11.18799      15.15451 
1 1 1 -17 36  18 o 20.419  9.2717  15.859     99.880   15.859     99.880   0.0000     0.0000   20.419  9.2717  ?       ?       0.000000       9.271702 
1 1 1 -17 36  19 o 31.479  10.978  189.197    103.027  148.790    114.818  356.180    233.407  28.026  11.190  33.593  14.781  -5.567089      18.53937 
1 1 1 -17 36  20 o 18.095  7.8816  19.538     64.887   6.2439     93.857   31.709     89.806   19.595  8.9321  20.589  9.1089  -0.9946747     12.75757 
1 1 1 -17 36  21 o 41.684  7.7762  261.887    75.757   380.175    103.034  122.689    111.770  48.814  9.0317  26.496  10.870  22.31829       14.13253 
1 1 1 -17 36  22 f 38.997  8.0237  233.110    73.389   289.279    94.823   149.200    115.897  41.706  9.5728  28.067  11.230  13.63996       14.75621 
1 1 1 -17 36  23 o 23.406  9.7067  79.922     90.422   364.609    195.501  2.4480     101.987  35.741  14.484  19.896  9.1592  15.84536       17.13726 
1 1 1 -17 36  24 o 17.134  7.9884  -23.6868   81.372   97.882     172.119  -58.6789   92.343   25.497  11.795  16.780  8.0247  8.717190       14.26581 
1 1 1 -17 36  25 f 21.157  9.3577  45.618     94.721   110.246    199.301  26.761     107.657  25.673  12.136  20.870  9.5340  4.803074       15.43288 
1 1 1 -17 36  26 f 41.911  11.000  340.454    113.281  -37.0348   228.626  463.286    130.416  22.763  11.254  49.144  11.188  -26.38095      15.86918 
1 1 1 -17 37  1  o 27.893  9.4455  115.507    76.102   25.619     135.587  156.848    91.952   24.561  11.008  31.589  10.376  -7.028442      15.12706 
1 1 1 -17 37  2  o 16.589  7.6447  -31.3933   71.298   -79.9773   122.484  -6.4947    87.684   19.795  9.4030  19.570  8.8052  0.2251110      12.88209 
1 1 1 -17 37  3  o 28.008  8.5790  116.206    63.793   59.315     94.398   164.027    86.546   23.751  9.8895  32.245  10.012  -8.493586      14.07263 
1 1 1 -17 37  4  o 49.935  6.5830  340.226    77.816   409.786    114.303  280.139    106.236  52.123  9.3829  41.739  10.499  10.38380       14.08096 
1 1 1 -17 37  5  o 49.346  6.2698  330.063    73.376   338.890    99.392   319.489    108.779  47.613  8.9313  44.847  10.224  2.766346       13.57545 
1 1 1 -17 37  6  o 33.767  8.0918  168.555    65.431   181.825    91.968   154.954    93.110   33.250  10.320  30.709  10.448  2.541058       14.68530 
1 1 1 -17 37  7  o 35.547  7.6974  184.100    64.469   203.570    90.282   163.843    92.091   35.310  10.054  31.383  10.387  3.926645       14.45606 
1 1 1 -17 37  8  o 19.783  7.8277  44.364     55.717   48.714     80.220   40.309     77.446   21.730  9.0880  20.983  8.8610  0.7471600      12.69287 
1 1 1 -17 37  9  o 26.822  8.1368  108.989    57.575   21.948     88.843   172.011    75.598   20.569  9.0820  32.902  9.1417  -12.33266      12.88612 
1 1 1 -17 37  10 o 18.989  7.7153  37.328     55.629   46.050     82.669   30.109     75.203   21.474  9.1163  19.951  8.5874  1.522211       12.52403 
1 1 1 -17 37  11 o 35.666  7.9342  191.703    66.891   245.125    99.956   148.377    90.017   37.518  10.543  29.315  10.260  8.203112       14.71087 
1 1 1 -17 37  12 o 35.672  8.7424  201.548    75.080   222.321    99.961   174.660    113.724  35.119  10.736  30.285  11.392  4.833755       15.65372 
1 1 1 -17 37  13 o 21.785  8.6723  64.394     68.773   86.232     91.404   35.903     104.406  24.066  9.8465  21.699  9.6970  2.366774       13.81975 
1 1 1 -17 37  14 o 29.613  9.2977  148.057    74.406   146.502    102.752  149.773    107.887  28.150  10.772  28.253  10.977  -0.1030064     15.37921 
1 1 1 -17 37  15 o 38.762  8.1058  232.528    73.786   213.946    100.450  254.304    108.741  33.675  10.829  36.390  11.210  -2.715366      15.58641 
1 1 1 -17 37  16 o 22.458  9.6370  63.998     94.188   43.024     102.439  178.675    239.537  21.676  9.6518  28.110  13.293  -6.434370      16.42728 
1 1 1 -17 37  17 o 25.780  10.556  115.972    105.164  114.078    116.205  124.538    247.190  25.687  10.851  26.923  12.942  -1.236231      16.88909 
1 1 1 -17 37  18 o 23.176  9.8823  74.710     97.919   0.0002     106.758  470.644    245.767  20.013  9.2689  36.280  15.568  -16.26692      18.11823 
1 1 1 -17 37  19 o 12.421  6.0295  -72.6961   57.001   -66.9285   81.125   -78.3199   80.108   15.495  7.4393  15.009  7.2519  0.4857693      10.38911 
1 1 1 -17 37  20 o 11.289  5.5672  -96.1972   54.679   -143.4524  77.069   -48.3011   77.590   12.856  6.3871  15.820  7.5055  -2.963564      9.855322 
1 1 1 -17 37  21 o 25.901  9.0332  111.804    69.756   139.954    94.937   78.777     102.834  27.593  10.403  23.507  10.078  4.085773       14.48375 
1 1 1 -17 37  22 o 26.006  10.373  121.782    98.568   297.171    198.021  64.011     113.648  31.906  13.833  22.906  10.185  8.999535       17.17814 
1 1 1 -17 37  23 o 28.461  10.540  157.465    96.605   234.743    205.405  135.517    109.468  28.992  13.215  26.489  10.800  2.502670       17.06651 
1 1 1 -17 37  24 o 30.017  10.648  181.910    97.213   161.877    199.807  188.123    111.270  26.367  12.366  29.514  11.229  -3.146553      16.70366 
1 1 1 -17 38  1  o 20.406  8.2119  43.822     62.367   34.096     94.292   51.385     83.154   22.015  9.5451  22.372  9.2958  -0.3576412     13.32370 
1 1 1 -17 38  2  o 19.372  8.0869  30.818     63.351   -23.0628   93.552   76.453     86.096   19.059  8.7732  24.217  9.6827  -5.158348      13.06609 
1 1 1 -17 38  3  o 37.970  7.7966  209.979    69.426   114.497    102.858  289.881    94.093   27.251  10.682  43.407  9.2185  -16.15579      14.10965 
1 1 1 -17 38  4  o 25.408  8.5266  96.687     62.009   -19.5957   95.511   181.414    81.527   19.234  8.8578  33.639  9.5456  -14.40574      13.02227 
1 1 1 -17 38  5  o 18.493  7.7648  26.811     58.917   33.120     82.272   20.170     84.411   20.796  8.9664  20.190  8.8865  0.6058350      12.62408 
1 1 1 -17 38  6  o 18.311  7.6148  28.715     55.865   114.571    77.213   -65.6044   80.929   26.840  9.4927  15.872  7.5687  10.96795       12.14073 
1 1 1 -17 38  7  o 22.571  8.3836  72.417     61.211   97.965     87.184   47.583     85.960   25.281  9.8551  21.722  9.2606  3.559639       13.52338 
1 1 1 -17 38  8  o 15.301  6.9040  -8.8703    54.356   -84.6126   83.485   46.864     71.615   15.380  7.4243  20.743  8.6235  -5.363317      11.37913 
1 1 1 -17 38  9  o 45.830  7.3196  306.443    78.657   282.205    100.863  344.060    125.655  40.602  10.240  42.756  11.750  -2.153297      15.58534 
1 1 1 -17 38  10 o 16.279  7.4677  -15.6031   66.992   -118.6572  88.184   125.040    103.019  14.755  7.2351  26.768  10.627  -12.01263      12.85634 
1 1 1 -17 38  11 o 24.798  9.0211  99.223     70.282   47.661     93.058   167.683    107.228  21.587  9.4199  29.500  11.069  -7.912947      14.53432 
1 1 1 -17 38  12 o 19.147  8.1954  33.087     67.801   -19.9912   89.708   103.797    103.542  18.037  8.4021  25.032  10.385  -6.995241      13.35802 
1 1 1 -17 38  13 o 21.170  8.6763  59.140     71.120   140.502    97.442   -33.6167   104.041  27.481  10.496  18.538  8.7646  8.942785       13.67401 
1 1 1 -17 38  14 o 25.766  10.411  118.489    100.670  118.227    110.892  119.722    240.060  25.708  10.713  26.461  12.728  -0.7538967     16.63636 
1 1 1 -17 38  15 o 28.415  10.837  157.948    103.782  144.236    114.548  220.783    245.207  27.182  11.061  28.495  13.467  -1.312635      17.42683 
1 1 1 -17 38  16 o 33.740  11.062  224.730    104.528  172.208    116.427  443.002    237.347  28.902  11.354  35.074  15.176  -6.171173      18.95260 
1 1 1 -17 38  17 o 15.319  7.1417  -26.7480   65.012   -7.0847    91.239   -47.0282   92.659   18.572  8.5899  17.145  8.1543  1.426889       11.84396 
1 1 1 -17 38  18 o 36.498  8.4166  212.856    73.014   217.280    100.929  207.999    105.754  33.540  10.863  32.296  11.130  1.243839       15.55252 
1 1 1 -17 38  19 o 21.852  8.4396  70.863     63.484   99.380     88.744   40.973     90.854   24.438  9.8093  20.842  9.1942  3.595480       13.44457 
1 1 1 -17 38  20 o 25.098  10.010  110.224    91.798   51.815     193.707  127.141    104.248  24.253  11.605  26.132  10.582  -1.879095      15.70478 
1 1 1 -17 38  21 o 19.276  8.6772  20.827     85.280   115.439    187.858  -3.7323    95.711   25.477  11.962  18.830  8.7403  6.647427       14.81490 
1 1 1 -17 38  22 o 37.362  10.998  278.550    106.398  232.727    219.602  292.607    121.627  27.877  13.039  36.365  11.933  -8.488117      17.67480 
1 1 1 -17 38  23 o 34.297  11.035  247.669    104.288  273.684    218.693  240.013    118.647  28.195  13.129  31.983  11.708  -3.787865      17.59093 
1 1 1 -17 39  1  o 35.004  8.0687  183.445    67.125   130.279    103.943  221.480    87.916   28.033  10.807  36.989  9.6824  -8.956619      14.50988 
1 1 1 -17 39  2  o 44.405  7.2443  282.789    75.361   208.919    109.433  349.421    103.934  33.847  11.327  47.066  9.4295  -13.21867      14.73854 
1 1 1 -17 39  3  o 23.261  8.5230  78.872     62.896   -12.8385   96.091   147.615    83.193   19.317  8.8920  29.682  9.8751  -10.36485      13.28851 
1 1 1 -17 39  4  f 23.152  8.6201  78.294     64.791   71.886     101.730  82.667     84.040   23.785  10.106  23.951  9.5699  -0.1662350     13.91801 
1 1 1 -17 39  5  o 22.782  8.3389  76.223     60.187   107.608    84.576   44.020     85.670   25.792  9.7956  21.297  9.1661  4.495449       13.41530 
1 1 1 -17 39  6  o 22.608  8.2666  75.534     59.126   107.494    80.766   38.628     86.791   25.662  9.6106  20.936  9.1174  4.726242       13.24723 
1 1 1 -17 39  7  o 19.717  8.1936  42.025     64.614   36.422     92.611   47.339     90.193   21.029  9.2793  21.506  9.3299  -0.4770641     13.15876 
1 1 1 -17 39  8  o 30.064  9.0314  150.900    71.187   169.656    100.818  132.252    100.530  29.859  10.813  27.022  10.569  2.836792       15.12061 
1 1 1 -17 39  9  o 16.919  7.5740  4.1523     63.991   -27.6590   80.410   59.096     105.676  16.880  7.8935  22.511  9.9239  -5.631157      12.68036 
1 1 1 -17 39  10 o 33.845  8.9342  190.863    74.445   100.530    97.843   315.053    114.723  24.552  10.133  40.405  11.274  -15.85325      15.15822 
1 1 1 -17 39  11 o 26.357  9.1276  119.238    71.161   145.143    94.048   84.546     108.838  27.702  10.371  23.661  10.257  4.041092       14.58665 
1 1 1 -17 39  12 o 18.275  8.5948  -23.2955   97.665   83.709     107.916  -507.6227  229.592  23.518  10.204  ?       ?       0.000000       10.20419 
1 1 1 -17 39  13 o 24.332  10.154  100.564    99.841   98.585     109.449  110.373    243.691  24.289  10.405  25.820  12.519  -1.531540      16.27798 
1 1 1 -17 39  14 o 13.034  6.5024  -160.5746  83.391   -164.2167  89.872   -138.0203  223.645  13.607  6.7824  21.536  10.729  -7.928649      12.69278 
1 1 1 -17 39  15 o 14.719  6.9923  -45.4464   67.761   -65.7860   92.911   -22.3356   99.039   16.433  7.9078  18.380  8.6476  -1.947639      11.71809 
1 1 1 -17 39  16 o 36.059  8.8867  216.408    77.252   463.228    107.781  -44.3554   110.784  53.912  8.5226  18.464  8.8187  35.44831       12.26395 
1 1 1 -17 39  17 o 24.063  9.0116  96.188     71.013   90.449     92.920   104.247    110.108  23.661  9.8284  24.631  10.490  -0.9697628     14.37526 
1 1 1 -17 39  18 o 22.721  9.6853  76.309     93.995   202.246    187.814  34.225     108.570  28.077  12.735  21.106  9.6156  6.970999       15.95782 
1 1 1 -17 39  19 o 21.240  9.4299  50.110     97.068   176.161    195.092  8.6388     111.902  26.893  12.482  20.125  9.3779  6.768068       15.61200 
1 1 1 -17 39  20 o 21.902  9.3321  70.836     87.196   366.445    178.848  -21.3391   99.869   34.332  13.875  18.201  8.5996  16.13139       16.32352 
1 1 1 -17 39  21 f 38.807  10.784  300.439    105.192  519.235    208.922  226.134    121.751  37.428  15.041  30.595  11.721  6.833296       19.06877 
1 1 1 -17 40  1  o 44.196  6.7678  278.457    70.266   252.646    107.375  297.789    92.925   37.100  11.080  43.181  9.1533  -6.081051      14.37180 
1 1 1 -17 40  2  f 14.469  6.7355  -29.2693   57.495   -11.4094   87.797   -42.6794   76.077   18.453  8.4962  16.020  7.5498  2.433128       11.36593 
1 1 1 -17 40  3  o 28.093  8.6212  127.533    64.387   61.829     97.936   177.551    85.450   22.667  9.7778  31.811  9.9599  -9.144777      13.95726 
1 1 1 -17 40  4  o 33.140  8.6424  177.273    70.216   124.187    106.172  218.543    93.612   26.440  10.688  34.835  10.332  -8.394329      14.86603 
1 1 1 -17 40  5  o 24.891  8.7060  100.593    64.816   34.978     97.505   152.543    86.759   20.997  9.3779  29.009  10.077  -8.012278      13.76532 
1 1 1 -17 40  6  o 21.827  8.3573  70.825     61.877   37.226     89.522   101.562    85.623   20.586  9.1017  24.612  9.7147  -4.026209      13.31225 
1 1 1 -17 40  7  o 48.425  6.7578  341.776    77.239   340.261    109.894  343.255    108.583  43.200  10.570  43.692  10.394  -0.4919891     14.82429 
1 1 1 -17 40  8  o 14.359  6.7238  -29.7360   58.687   -30.2199   90.031   -29.3785   77.388   17.411  8.2077  16.361  7.6803  1.050238       11.24070 
1 1 1 -17 40  9  o 40.694  7.8325  258.029    74.531   305.893    107.917  214.378    103.057  40.000  10.846  32.474  10.992  7.526047       15.44196 
1 1 1 -17 40  10 o 15.077  7.3191  -81.0676   84.011   -24.1873   90.431   -439.5066  227.010  17.579  8.2682  ?       ?       0.000000       8.268173 
1 1 1 -17 40  11 o 31.082  11.131  203.481    106.490  247.555    117.197  -5.2020    255.015  33.528  11.708  23.735  11.762  9.793232       16.59563 
1 1 1 -17 40  12 o 21.450  9.4476  55.781     95.566   118.081    104.132  -276.8336  240.609  25.132  10.419  20.202  10.205  4.929537       14.58391 
1 1 1 -17 40  13 o 15.369  7.2082  -28.8089   67.901   71.350     91.472   -151.7366  101.337  22.209  9.5129  14.841  7.3647  7.368854       12.03052 
1 1 1 -17 40  14 o 14.023  6.7192  -54.6895   65.440   62.358     86.048   -215.2450  100.780  21.543  9.2269  13.597  6.8345  7.946112       11.48245 
1 1 1 -17 40  15 o 32.167  9.2644  181.617    76.239   238.579    101.230  106.969    115.885  34.685  10.838  24.543  10.612  10.14214       15.16764 
1 1 1 -17 40  16 o 14.045  6.6982  -47.8014   63.424   -51.2544   82.320   -42.7580   99.488   15.868  7.5852  17.552  8.3760  -1.684272      11.30015 
1 1 1 -17 40  17 o 28.949  11.016  179.283    107.091  438.035    201.289  77.126     126.477  35.744  14.617  23.080  10.462  12.66325       17.97500 
1 1 1 -17 40  18 o 25.551  10.617  132.952    108.465  157.930    215.331  124.459    125.557  25.628  12.256  24.893  10.900  0.7350998      16.40140 
1 1 1 -17 40  19 o 30.538  11.322  215.679    111.533  260.124    212.322  198.741    131.073  27.578  12.873  28.103  11.673  -0.5246544     17.37772 
1 1 1 -17 40  20 o 28.317  11.179  194.327    113.396  197.710    227.965  193.214    130.715  25.219  12.197  27.237  11.508  -2.018314      16.76892 
1 1 1 -17 41  1  o 39.673  7.8946  242.254    73.322   449.505    114.919  99.958     95.223   52.148  9.4293  24.614  10.058  27.53424       13.78673 
1 1 1 -17 41  2  o 59.877  6.1796  506.151    88.490   503.817    126.686  508.374    123.656  54.172  10.007  55.050  9.6069  -0.8781548     13.87172 
1 1 1 -17 41  3  o 34.666  8.8258  199.780    74.432   168.043    122.982  218.124    93.500   28.199  11.466  34.138  10.372  -5.938490      15.46132 
1 1 1 -17 41  4  o 24.182  8.9631  98.073     69.894   198.121    118.072  44.102     86.721   30.126  11.542  20.599  9.0381  9.527552       14.65976 
1 1 1 -17 41  5  o 21.939  8.4344  74.752     63.186   119.505    91.394   33.774     87.453   25.459  10.041  19.985  8.9070  5.473763       13.42191 
1 1 1 -17 41  6  o 27.561  8.8684  131.896    67.356   46.227     97.363   210.533    93.281   20.992  9.3738  32.923  10.420  -11.93120      14.01578 
1 1 1 -17 41  7  o 22.929  9.8176  83.985     97.368   57.758     102.138  345.282    322.389  21.646  9.6381  28.289  13.864  -6.643343      16.88483 
1 1 1 -17 41  8  o 23.683  10.115  97.262     102.878  109.091    108.515  -7.8094    323.420  24.357  10.395  24.133  12.145  0.2242947      15.98614 
1 1 1 -17 41  9  o 36.094  11.426  277.040    112.161  363.750    118.978  -415.2945  336.194  42.483  11.333  ?       ?       0.000000       11.33294 
1 1 1 -17 41  10 o 18.114  8.4641  -9.2042    92.162   17.265     99.743   -163.7312  241.001  19.635  9.0461  21.141  10.619  -1.506077      13.95003 
1 1 1 -17 41  11 o 32.047  9.0381  179.931    73.321   142.751    100.541  222.164    107.156  26.540  10.511  32.118  11.196  -5.578058      15.35682 
1 1 1 -17 41  12 o 15.110  7.0868  -27.5931   65.632   -43.6078   86.056   -5.3267    101.472  16.384  7.8107  18.873  8.8388  -2.488577      11.79543 
1 1 1 -17 41  13 o 24.674  9.1967  107.758    73.788   44.689     98.800   187.306    110.959  20.853  9.3676  29.216  11.190  -8.363016      14.59348 
1 1 1 -17 41  14 o 31.952  9.4279  184.846    78.106   231.382    106.230  130.084    115.237  32.964  11.160  25.402  10.773  7.561316       15.51082 
1 1 1 -17 41  15 o 19.833  9.0694  26.341     97.724   76.154     181.729  6.0765     115.910  23.596  11.277  19.901  9.3605  3.695774       14.65561 
1 1 1 -17 41  16 o 25.777  10.592  139.861    106.354  143.344    197.743  138.443    126.155  25.002  11.897  25.286  11.002  -0.2837467     16.20450 
1 1 1 -17 41  17 o 19.537  9.0082  25.245     99.202   44.777     186.689  17.560     117.103  22.398  10.882  19.985  9.4028  2.413074       14.38144 
1 1 1 -17 41  18 o 17.554  8.3580  -20.1716   97.889   -31.7438   201.154  -16.5807   112.052  20.929  10.384  18.431  8.8210  2.498301       13.62525 
1 1 1 -17 42  1  o 15.030  7.0594  -30.2417   65.521   -86.7613   91.980   27.983     93.357   15.594  7.5905  19.927  9.0144  -4.333048      11.78456 
1 1 1 -17 42  2  o 39.096  8.4986  251.347    78.320   237.892    110.167  265.095    111.364  33.198  11.364  35.321  11.407  -2.123039      16.10166 
1 1 1 -17 42  3  o 16.280  7.5068  -9.3455    68.895   78.159     100.161  -87.9229   94.914   22.527  9.8025  15.721  7.6651  6.805428       12.44360 
1 1 1 -17 42  4  o 32.346  8.9381  182.694    72.482   256.798    114.470  133.098    93.647   33.889  11.584  25.949  10.186  7.940033       15.42529 
1 1 1 -17 42  5  o 18.054  8.5219  -17.4368   97.638   -47.6298   102.716  265.434    314.399  17.390  8.3552  26.632  13.173  -9.241951      15.59923 
1 1 1 -17 42  6  o 16.555  7.9660  -54.2914   94.240   -66.1953   98.711   68.260     316.724  16.534  8.0041  24.342  12.220  -7.808201      14.60823 
1 1 1 -17 42  7  o 36.345  11.850  300.357    120.024  272.297    128.080  502.575    343.836  33.157  12.160  29.050  14.253  4.107025       18.73568 
1 1 1 -17 42  8  o 24.395  10.336  115.911    105.946  122.822    111.739  54.397     333.368  24.723  10.550  24.223  12.208  0.5005741      16.13476 
1 1 1 -17 42  9  o 27.979  8.8407  139.166    67.170   214.171    97.602   71.678     92.582   32.079  10.697  21.809  9.4572  10.26936       14.27829 
1 1 1 -17 42  10 o 10.003  5.0219  -131.1001  53.537   -124.0745  86.352   -135.4869  68.235   13.957  6.9033  11.775  5.8755  2.181860       9.065177 
1 1 1 -17 42  11 o 20.294  8.3398  58.683     65.933   34.794     101.171  76.320     86.928   20.289  9.2584  22.019  9.3481  -1.729715      13.15694 
1 1 1 -17 42  12 o 29.815  9.0123  159.253    70.725   101.955    105.643  205.791    95.209   23.621  10.172  31.604  10.566  -7.982580      14.66664 
1 1 1 -17 42  13 o 17.345  8.2159  -24.1597   92.249   -312.2430  177.970  81.678     107.872  16.943  8.5797  22.483  9.9632  -5.540636      13.14821 
1 1 1 -17 42  14 o 26.008  10.610  147.956    105.729  175.242    195.839  136.732    125.606  25.391  12.011  24.896  10.902  0.4945812      16.22032 
1 1 1 -17 42  15 o 17.794  8.4285  -13.7007   97.071   -90.2145   195.980  11.173     111.740  20.068  10.005  19.384  9.1395  0.6844883      13.55087 
1 1 1 -17 42  16 o 20.664  9.3457  59.790     100.284  140.816    191.198  29.041     117.786  23.738  11.403  19.953  9.4005  3.784901       14.77864 
1 1 1 -17 43  1  o 25.251  9.1147  116.891    71.544   152.563    100.464  80.183     101.910  26.763  10.536  22.333  9.7985  4.429531       14.38803 
1 1 1 -17 43  2  o 16.803  8.1566  -66.8528   104.277  -115.8966  117.453  115.687    226.595  16.501  8.1413  24.237  11.823  -7.736092      14.35477 
1 1 1 -17 43  3  o 20.888  9.7029  40.449     118.301  -31.0284   135.394  271.132    243.233  19.392  9.3843  26.948  12.923  -7.556240      15.97123 
1 1 1 -17 43  4  o 18.497  8.6130  5.3490     94.123   98.064     99.279   -818.3415  295.913  23.133  9.9095  ?       ?       0.000000       9.909462 
1 1 1 -17 43  5  o 12.256  6.1762  -196.9772  85.186   -220.4959  89.306   40.423     283.737  12.251  6.1910  23.343  11.697  -11.09234      13.23471 
1 1 1 -17 43  6  o 20.848  9.3007  56.721     95.610   42.732     99.914   208.702    329.332  20.328  9.2467  25.163  12.608  -4.835367      15.63562 
1 1 1 -17 43  7  o 29.553  9.0194  159.128    70.588   230.983    101.483  91.780     98.249   32.647  10.908  22.763  9.8065  9.883186       14.66821 
1 1 1 -17 43  8  o 17.224  7.5761  21.918     61.263   17.701     89.687   25.606     83.883   18.795  8.6291  18.857  8.5362  -0.6149292E-01 12.13787 
1 1 1 -17 43  9  o 16.074  7.2701  4.2252     60.690   6.1462     89.636   2.5990     82.470   18.289  8.4784  17.686  8.1752  0.6037140      11.77788 
1 1 1 -17 43  10 o 16.311  7.3476  7.7162     61.271   -6.6758    95.491   17.788     79.883   18.094  8.5060  18.209  8.2772  -0.1150341     11.86865 
1 1 1 -17 43  11 o 17.729  8.2676  -1.4613    87.225   403.855    276.274  -46.3359   91.927   28.279  13.615  16.423  7.8939  11.85690       15.73819 
1 1 1 -17 43  12 o 22.334  9.4541  89.439     88.497   44.386     260.197  95.332     94.108   22.807  11.395  22.690  9.6820  0.1170731      14.95279 
1 1 1 -17 43  13 o 18.351  8.3481  24.717     81.451   -91.3068   278.612  35.559     85.172   21.316  10.788  19.061  8.6175  2.254545       13.80702 
1 1 1 -17 43  14 o 23.902  10.035  125.343    98.387   602.481    252.437  39.883     106.835  32.083  14.634  19.799  9.2050  12.28347       17.28830 
1 1 1 -17 43  15 o 22.023  9.7588  99.707     103.487  187.828    208.695  70.974     119.170  23.625  11.484  20.874  9.7104  2.751055       15.03932 
1 1 1 -17 44  1  f 26.280  11.036  167.495    119.042  181.136    134.865  119.378    253.293  26.365  11.424  23.754  11.762  2.611572       16.39672 
1 1 1 -17 44  2  o 20.844  9.7161  46.404     120.286  61.085     138.009  0.0006     245.358  21.702  10.210  22.117  11.052  -0.4156742     15.04638 
1 1 1 -17 44  3  o 19.992  9.4190  23.431     118.262  -16.4669   134.963  155.370    245.430  19.451  9.4017  24.232  11.920  -4.781610      15.18121 
1 1 1 -17 44  4  o 21.219  8.6158  74.616     69.317   141.556    92.734   -10.1433   104.349  25.789  10.132  18.289  8.6849  7.499842       13.34487 
1 1 1 -17 44  5  o 18.791  8.1286  41.697     68.065   105.898    91.297   -38.6403   102.128  23.376  9.7289  17.269  8.3053  6.107624       12.79179 
1 1 1 -17 44  6  f 32.135  9.0172  188.058    73.174   280.478    109.414  113.273    98.423   35.335  11.296  23.769  10.011  11.56635       15.09352 
1 1 1 -17 44  7  o 18.611  7.9594  41.871     63.864   82.292     97.703   11.717     84.387   21.986  9.6214  18.041  8.3149  3.945513       12.71643 
1 1 1 -17 44  8  o 15.040  7.1174  -29.3806   68.905   -291.9902  256.305  -8.9217    71.539   ?       ?       16.176  7.5246  0.000000       7.524573 
1 1 1 -17 44  9  o 27.711  10.505  173.282    97.167   404.393    278.771  141.322    103.668  27.445  13.325  25.129  10.405  2.316177       16.90660 
1 1 1 -17 44  10 o 20.550  8.9235  65.518     82.656   -126.0457  252.978  88.412     87.456   20.507  10.368  21.990  9.3571  -1.482964      13.96625 
1 1 1 -17 44  11 o 20.202  8.9686  60.423     87.795   295.976    260.791  30.315     93.237   25.304  12.415  18.936  8.7320  6.367805       15.17786 
1 1 1 -17 44  12 f 24.953  10.085  144.293    94.502   249.926    290.381  131.779    99.943   23.813  11.918  23.905  10.079  -0.9194183E-01 15.60861 
1 1 1 -17 44  13 o 19.778  8.8629  61.517     87.858   122.960    284.947  55.062     92.358   22.012  11.117  19.552  8.8924  2.460550       14.23611 
1 1 1 -17 45  1  o 21.418  8.7721  79.897     72.638   24.004     102.145  137.080    103.316  19.188  8.9473  24.686  10.318  -5.498852      13.65721 
1 1 1 -17 45  2  o 25.515  9.3919  130.441    76.499   129.105    112.015  131.608    104.724  24.023  10.410  24.333  10.291  -0.3105755     14.63818 
1 1 1 -17 45  3  o 16.671  7.6543  5.0208     70.592   -22.5097   102.940  29.461     96.989   17.644  8.4471  19.231  8.8813  -1.587200      12.25690 
1 1 1 -17 45  4  o 18.464  7.9582  41.400     64.764   31.387     89.474   52.419     93.863   19.010  8.6871  20.153  9.0848  -1.143326      12.56978 
1 1 1 -17 45  5  o 22.248  8.7322  89.660     68.816   130.124    91.927   38.078     103.790  24.665  9.9543  19.800  9.1592  4.864964       13.52698 
1 1 1 -17 45  6  o 21.037  9.3342  71.710     94.970   -93.8557   187.683  128.694    110.107  19.383  9.6830  23.942  10.348  -4.559841      14.17171 
1 1 1 -17 45  7  o 18.494  8.5355  23.456     89.369   0.0000     0.0000   23.456     89.369   ?       ?       18.494  8.5355  0.000000       8.535484 
1 1 1 -17 45  8  o 17.108  7.9475  6.0467     79.383   -5.0502    266.788  7.1246     83.150   21.408  10.805  17.377  8.0930  4.030203       13.50003 
1 1 1 -17 45  9  o 19.434  8.7331  51.678     85.947   184.380    274.860  37.297     90.484   23.065  11.552  18.890  8.6707  4.175097       14.44373 
1 1 1 -17 45  10 o 21.317  9.1799  89.530     86.029   -5.3395    259.295  101.265    91.195   20.720  10.478  21.951  9.4523  -1.231060      14.11146 
1 1 1 -17 45  11 o 17.318  8.0109  20.875     79.399   -156.1587  256.599  39.620     83.497   ?       ?       18.347  8.3872  0.000000       8.387156 
1 1 1 -17 46  1  o 32.740  9.0947  202.440    74.832   232.727    108.295  174.764    103.523  30.471  11.181  26.745  10.642  3.726109       15.43591 
1 1 1 -17 46  2  o 16.726  7.6345  11.646     68.851   6.6952     97.719   16.528     97.025   18.141  8.5516  18.475  8.6495  -0.3339272     12.16320 
1 1 1 -17 46  3  o 18.340  8.3305  30.773     80.720   48.844     166.758  25.243     92.248   21.094  10.256  18.585  8.6105  2.508457       13.39163 
1 1 1 -17 46  4  o 23.051  9.8367  115.268    97.150   152.492    186.028  101.309    113.918  23.273  11.197  22.150  9.9945  1.123478       15.00887 
1 1 1 -17 46  5  o 15.149  7.3528  -54.4763   84.687   -58.5627   159.923  -52.8838   99.834   18.681  9.2672  16.225  7.8996  2.456320       12.17723 
1 1 1 -17 46  6  o 19.267  8.8328  46.798     93.512   19.998     186.541  55.793     108.072  20.378  10.091  19.959  9.2724  0.4186974      13.70452 
1 1 1 -17 46  7  f 22.591  10.120  124.820    114.460  0.0000     0.0000   124.820    114.460  ?       ?       22.591  10.120  0.000000       10.12005 
1 1 1 -17 46  8  o 21.414  9.5367  101.028    100.052  320.960    257.553  61.939     108.580  23.763  11.784  19.765  9.2194  3.997280       14.96160 
1 1 1 -17 46  9  o 15.179  7.1984  -12.9395   71.222   -326.8110  267.180  11.070     73.896   ?       ?       16.376  7.6276  0.000000       7.627564 
1 1 1 -17 47  1  o 16.338  7.7949  -18.3456   86.074   23.158     157.312  -36.0800   102.833  19.966  9.7635  16.751  8.1238  3.215643       12.70123 
1 1 1 -17 47  2  o 14.318  7.0205  -74.5271   83.007   -73.3139   153.323  -75.0301   98.727   17.985  8.9475  15.435  7.5861  2.550114       11.73055 
1 1 1 -17 47  3  o 19.823  8.9971  63.698     93.915   96.704     183.481  51.981     109.321  21.360  10.466  19.607  9.1799  1.753019       13.92136 
1 1 1 -17 47  4  o 22.445  9.6923  118.473    96.430   -86.5408   178.862  202.480    114.494  18.241  9.1609  26.253  10.908  -8.012192      14.24457 
1 1 1 -17 47  5  o 15.228  7.4015  -43.7111   86.610   -164.7918  163.381  3.6137     102.143  16.631  8.4017  17.469  8.3766  -0.8376942     11.86400 
1 1 1 -17 47  6  o 20.621  9.1037  91.658     89.245   353.403    180.766  7.2975     102.624  26.498  12.197  17.414  8.3624  9.084764       14.78829 
1 1 1 -17 48  1  o 15.801  7.4358  -1.5795    73.296   -120.2637  160.235  29.826     82.425   17.020  8.5634  17.622  8.1553  -0.6011314     11.82538 
1 1 1 -17 48  2  o 15.910  7.6512  -17.1437   86.632   -137.6125  160.421  32.453     102.932  16.664  8.4069  18.212  8.6417  -1.547974      12.05635 
1 1 1 -17 48  3  o 19.932  9.0518  83.605     95.241   -148.2376  187.045  164.755    110.661  17.114  8.6800  23.374  10.234  -6.259588      13.41913 
1 1 1 -17 48  4  o 17.076  8.1042  20.478     90.592   -110.5257  170.429  72.069     106.953  16.907  8.5448  19.216  9.0233  -2.309267      12.42712 
1 1 1 -17 49  1  o 20.785  8.6400  99.054     71.881   204.875    173.212  77.039     79.005   21.503  10.455  19.181  8.5118  2.322283       13.48184 
1 1 1 -16 -53 27 o 15.793  6.6324  40.037     43.002   -103.3805  104.845  69.042     47.150   13.870  6.9719  18.592  7.2474  -4.721573      10.05649 
1 1 1 -16 -53 28 o 14.912  6.4839  29.057     43.754   93.888     106.693  15.950     47.973   18.720  8.8582  14.196  6.4380  4.524452       10.95059 
1 1 1 -16 -53 29 o 14.302  6.3553  20.451     44.184   -0.6734    97.278   25.942     49.596   15.844  7.7327  15.002  6.6951  0.8426256      10.22833 
1 1 1 -16 -53 30 o 15.017  6.5886  28.037     46.079   -18.1479   103.678  39.405     51.439   15.671  7.7157  16.076  7.0096  -0.4055471     10.42432 
1 1 1 -16 -53 31 o 14.631  6.5020  22.416     46.260   -54.5838   99.703   43.539     52.221   14.736  7.3116  16.440  7.1157  -1.703536      10.20261 
1 1 1 -16 -53 32 o 25.016  7.8393  127.454    52.923   193.935    108.342  106.619    60.651   23.182  10.139  21.603  8.2734  1.579475       13.08592 
1 1 1 -16 -53 33 o 15.216  6.6133  30.139     45.483   135.868    99.390   2.1316     51.154   20.970  9.4096  13.724  6.3768  7.246199       11.36685 
1 1 1 -16 -53 34 o 12.832  6.0392  -10.0546   48.371   -108.0842  96.709   22.652     55.861   13.572  6.8051  15.217  6.9188  -1.644599      9.704639 
1 1 1 -16 -53 35 o 14.441  6.5606  15.405     50.086   39.214     99.578   7.3416     57.951   17.241  8.2684  14.496  6.7529  2.744751       10.67562 
1 1 1 -16 -53 36 o 16.456  7.1182  43.008     52.193   72.170     101.183  32.435     60.924   18.344  8.6636  16.005  7.2574  2.338131       11.30171 
1 1 1 -16 -53 37 f 39.467  6.8454  268.837    63.177   276.875    118.155  265.618    74.762   26.588  11.067  35.767  8.6984  -9.179583      14.07610 
1 1 1 -16 -53 38 o 15.402  6.8183  29.845     50.396   59.921     108.309  21.535     56.934   17.919  8.6014  15.180  6.9340  2.739336       11.04829 
1 1 1 -16 -53 39 o 13.158  6.3403  -25.6160   60.212   67.634     105.012  -71.2880   73.492   18.101  8.6288  12.787  6.3326  5.313745       10.70319 
1 1 1 -16 -53 40 o 16.710  7.6292  43.133     68.809   -243.1051  172.594  97.225     75.029   ?       ?       19.802  8.5501  0.000000       8.550126 
1 1 1 -16 -53 41 o 18.224  8.3025  72.844     80.943   252.769    177.716  25.749     90.922   21.013  10.297  16.446  7.8908  4.566139       12.97256 
1 1 1 -16 -53 42 o 23.954  9.5325  169.314    83.067   51.650     184.728  199.136    92.999   17.830  8.9984  24.752  10.004  -6.921860      13.45569 
1 1 1 -16 -52 22 f 16.961  8.2206  27.201     104.872  -41.0183   117.311  298.681    234.020  15.739  7.8292  20.657  10.387  -4.918176      13.00732 
1 1 1 -16 -52 23 o 19.946  7.8012  82.722     54.771   48.588     119.715  91.759     61.595   17.889  8.6963  20.360  8.1723  -2.470789      11.93370 
1 1 1 -16 -52 24 o 12.617  5.9496  -14.0829   47.378   -95.6719   111.765  3.7899     52.310   14.724  7.3730  14.032  6.4950  0.6924095      9.825777 
1 1 1 -16 -52 25 o 13.175  6.1581  -7.0507    48.835   12.161     113.972  -11.3711   54.048   17.126  8.3608  13.438  6.3422  3.688187       10.49411 
1 1 1 -16 -52 26 o 15.041  6.7307  20.718     50.487   -92.8629   117.839  46.255     55.875   15.180  7.5965  17.077  7.3759  -1.897000      10.58828 
1 1 1 -16 -52 27 o 12.638  5.8004  -2.4136    40.478   -94.4544   96.148   17.414     44.626   14.092  7.0225  14.439  6.4027  -0.3469305     9.503153 
1 1 1 -16 -52 28 o 24.374  7.7650  115.383    51.737   83.104     108.503  124.881    58.859   19.416  9.1081  24.449  8.3067  -5.033340      12.32712 
1 1 1 -16 -52 29 o 12.480  5.8529  -13.7451   44.753   26.410     100.632  -23.6449   49.966   17.470  8.3608  12.557  5.9767  4.913221       10.27735 
1 1 1 -16 -52 30 o 16.976  6.9977  45.482     46.595   -101.5053  98.304   88.075     52.917   14.170  7.0676  21.120  7.8048  -6.950524      10.52925 
1 1 1 -16 -52 31 o 13.129  6.0424  -2.4187    44.348   98.685     94.024   -31.3461   50.293   20.361  9.1432  12.268  5.8816  8.092801       10.87155 
1 1 1 -16 -52 32 o 18.064  7.1380  56.174     46.274   5.7084     101.447  69.433     51.999   16.956  8.1846  19.289  7.5842  -2.333239      11.15833 
1 1 1 -16 -52 33 o 28.689  7.3519  146.726    51.411   243.556    106.319  117.174    58.735   28.126  10.905  23.800  8.2897  4.326069       13.69841 
1 1 1 -16 -52 34 o 16.304  6.8500  37.791     45.901   95.426     99.829   22.340     51.689   20.190  9.2069  15.393  6.8549  4.797314       11.47855 
1 1 1 -16 -52 35 o 11.507  5.4943  -28.7032   42.933   -37.6325   97.879   -26.5759   47.774   15.644  7.6606  12.215  5.8220  3.429137       9.621922 
1 1 1 -16 -52 36 o 19.513  7.6470  71.742     52.706   -40.7417   102.819  111.835    61.385   15.798  7.7595  22.950  8.4183  -7.152203      11.44895 
1 1 1 -16 -52 37 o 15.135  6.7850  18.763     51.545   137.797    104.780  -19.2405   59.204   21.991  9.7787  13.705  6.5182  8.286014       11.75198 
1 1 1 -16 -52 38 o 14.353  6.5315  8.6998     49.907   -155.2888  105.730  55.713     56.611   13.690  6.8966  18.019  7.5908  -4.329009      10.25592 
1 1 1 -16 -52 39 o 14.364  6.5028  10.632     48.691   0.6405     104.648  13.393     55.008   16.884  8.1901  15.006  6.8396  1.878067       10.67042 
1 1 1 -16 -52 40 o 22.635  8.3631  109.278    60.753   60.754     178.877  115.605    64.592   19.193  9.5669  22.886  8.5900  -3.693150      12.85740 
1 1 1 -16 -52 41 f 21.002  9.0781  108.370    84.763   250.552    188.073  72.128     94.953   22.261  10.839  19.023  8.7859  3.237926       13.95302 
1 1 1 -16 -52 42 o 20.834  9.0327  106.719    84.433   156.077    189.916  94.560     94.261   20.442  10.134  19.943  9.0365  0.4989319      13.57770 
1 1 1 -16 -52 43 o 13.755  6.7276  -49.0177   74.792   84.684     190.607  -73.3500   81.314   19.278  9.6494  13.565  6.7077  5.712763       11.75177 
1 1 1 -16 -52 44 o 19.754  7.6573  77.277     52.409   -127.2373  197.982  92.688     54.348   ?       ?       21.212  7.8954  0.000000       7.895425 
1 1 1 -16 -52 45 o 16.851  7.0101  46.794     47.372   -28.0733   148.570  55.266     49.980   17.008  8.5140  17.627  7.2545  -0.6190166     11.18552 
1 1 1 -16 -52 46 o 17.457  7.2655  54.420     50.920   -100.8643  144.467  76.448     54.412   15.755  7.9522  19.364  7.7122  -3.608785      11.07768 
1 1 1 -16 -51 18 o 20.368  8.6424  98.243     74.233   68.881     100.464  133.551    110.169  18.529  8.7150  20.868  9.5745  -2.339523      12.94685 
1 1 1 -16 -51 19 o 17.974  8.0204  56.485     71.141   153.674    95.343   -65.5935   106.856  22.895  9.7568  15.205  7.5486  7.689735       12.33594 
1 1 1 -16 -51 20 o 16.593  7.6845  26.461     73.365   -41.0141   99.829   105.696    108.180  15.539  7.6351  20.293  9.3745  -4.754747      12.09033 
1 1 1 -16 -51 21 o 14.289  6.8950  -30.2683   71.861   -114.0046  98.311   65.802     105.303  13.961  6.9797  18.982  8.9262  -5.020407      11.33111 
1 1 1 -16 -51 22 o 13.951  6.8085  -50.5828   75.389   -73.0807   97.960   -17.9025   118.065  14.856  7.3491  17.007  8.3457  -2.150606      11.12022 
1 1 1 -16 -51 23 o 20.732  7.4175  79.070     47.274   157.234    103.925  58.676     53.084   23.367  10.076  18.425  7.5172  4.942150       12.57129 
1 1 1 -16 -51 24 o 26.866  8.4208  144.192    61.062   241.564    128.631  115.867    69.377   26.037  11.219  22.946  8.8337  3.091835       14.27928 
1 1 1 -16 -51 25 o 15.852  7.0527  23.792     54.578   -65.9892   116.489  49.043     61.779   16.117  7.9799  17.883  7.7399  -1.766035      11.11689 
1 1 1 -16 -51 26 o 14.382  6.5624  4.7939     50.818   24.989     116.026  0.0001     56.529   18.330  8.8245  14.598  6.7551  3.731919       11.11319 
1 1 1 -16 -51 27 o 24.309  8.4068  119.019    60.355   129.298    129.160  116.147    68.267   21.694  10.098  23.261  8.8087  -1.566607      13.39990 
1 1 1 -16 -51 28 o 13.122  6.1886  -19.4362   51.298   262.669    110.915  -96.2012   57.858   29.953  11.254  11.070  5.5055  18.88241       12.52808 
1 1 1 -16 -51 29 o 12.736  5.8817  -8.4054    42.544   -88.7946   92.298   13.283     47.941   14.382  7.1180  14.739  6.5800  -0.3570309     9.693428 
1 1 1 -16 -51 30 o 14.953  6.5336  19.370     44.898   -181.2836  95.949   75.622     50.803   12.874  6.4958  20.406  7.6260  -7.531751      10.01761 
1 1 1 -16 -51 31 o 26.838  7.4311  126.803    50.045   213.723    102.916  99.885     57.272   27.704  10.733  22.645  8.1577  5.059444       13.48117 
1 1 1 -16 -51 32 o 22.773  7.5313  94.033     48.415   178.467    101.099  68.908     55.150   25.498  10.385  19.630  7.7812  5.868475       12.97690 
1 1 1 -16 -51 33 o 15.448  6.6517  24.986     45.159   -34.0077   96.376   41.582     51.118   16.072  7.8108  17.154  7.2192  -1.082188      10.63602 
1 1 1 -16 -51 34 o 16.048  6.7448  32.313     44.526   -76.7237   100.250  59.108     49.696   15.213  7.5087  18.743  7.4002  -3.530268      10.54244 
1 1 1 -16 -51 35 o 20.527  7.4676  75.272     48.161   4.2409     106.486  93.538     53.999   17.634  8.4809  22.237  7.9306  -4.603132      11.61119 
1 1 1 -16 -51 36 o 30.705  7.2725  160.626    53.347   112.684    112.361  174.578    60.614   21.548  9.8033  30.984  8.0055  -9.435919      12.65672 
1 1 1 -16 -51 37 f 14.846  6.5559  16.224     46.314   79.390     103.850  0.5426     51.744   20.204  9.2793  14.289  6.5580  5.915186       11.36281 
1 1 1 -16 -51 38 f 11.044  5.3776  -52.6122   46.300   58.315     99.631   -83.1669   52.290   19.294  8.9422  10.782  5.3399  8.511892       10.41525 
1 1 1 -16 -51 39 o 17.467  7.2881  45.363     51.422   32.087     105.954  49.454     58.813   18.450  8.7585  17.991  7.6649  0.4586334      11.63878 
1 1 1 -16 -51 40 o 11.964  5.7531  -38.5731   48.940   -42.9495   98.264   -37.1294   56.438   15.891  7.7592  12.893  6.1941  2.998383       9.928308 
1 1 1 -16 -51 41 o 18.852  7.6848  61.058     55.419   -126.9728  136.949  97.878     60.603   16.046  8.0527  22.131  8.3177  -6.084747      11.57712 
1 1 1 -16 -51 42 o 16.306  7.5961  11.063     73.325   -89.5975   147.793  43.931     84.452   16.981  8.4996  18.254  8.3779  -1.272692      11.93448 
1 1 1 -16 -51 43 o 20.142  8.7882  81.758     80.978   -198.4864  193.649  141.149    89.147   16.982  8.6346  23.631  9.7027  -6.648418      12.98838 
1 1 1 -16 -51 44 o 16.431  7.5745  19.165     70.086   -111.0077  176.778  43.441     76.342   17.394  8.7815  17.901  8.1196  -0.5067196     11.96010 
1 1 1 -16 -51 45 o 18.360  8.2005  54.067     74.566   -73.0380   191.712  76.724     80.940   18.049  9.1162  19.680  8.6800  -1.630518      12.58764 
1 1 1 -16 -51 46 o 19.277  7.5649  68.083     51.638   90.381     152.743  65.206     54.869   19.981  9.7378  18.946  7.6749  1.035183       12.39878 
1 1 1 -16 -51 47 o 12.929  5.9983  -7.1209    44.999   -114.4528  134.538  6.3985     47.748   15.754  7.9158  14.038  6.3882  1.715804       10.17197 
1 1 1 -16 -51 48 o 20.380  7.6777  80.952     51.695   14.908     142.347  90.986     55.483   18.013  8.9010  21.175  7.9586  -3.162550      11.94018 
1 1 1 -16 -50 15 o 14.033  6.8091  -37.2104   72.489   93.618     231.611  -51.4173   76.324   19.629  9.9242  13.874  6.7878  5.755150       12.02348 
1 1 1 -16 -50 16 f 16.231  7.6039  13.249     75.204   -117.9953  231.649  28.711     79.510   ?       ?       17.084  7.9420  0.000000       7.942010 
1 1 1 -16 -50 17 o 13.003  6.3505  -57.1812   65.927   -406.6753  280.469  -36.7411   67.828   ?       ?       13.866  6.6932  0.000000       6.693161 
1 1 1 -16 -50 18 o 22.683  9.2367  119.780    79.954   211.010    304.772  113.038    82.856   21.361  10.858  22.062  9.2324  -0.7011604     14.25267 
1 1 1 -16 -50 19 o 17.691  7.9988  38.218     73.402   0.3713     100.143  82.158     107.904  17.204  8.2616  20.231  9.3517  -3.027054      12.47832 
1 1 1 -16 -50 20 f 14.665  7.0131  -26.0587   70.515   -76.4497   95.269   34.996     104.866  14.924  7.3576  18.581  8.7891  -3.656293      11.46225 
1 1 1 -16 -50 21 o 15.435  7.2911  -10.1568   71.705   85.970     99.035   -116.0727  103.955  20.628  9.3123  14.669  7.3090  5.959110       11.83810 
1 1 1 -16 -50 22 o 18.751  7.0899  57.873     44.181   117.487    101.211  43.838     49.107   22.233  9.7594  17.385  7.1770  4.847782       12.11427 
1 1 1 -16 -50 23 o 15.873  6.6224  30.590     42.450   88.790     100.020  17.804     46.881   20.905  9.4050  15.114  6.6382  5.790503       11.51173 
1 1 1 -16 -50 24 o 9.4944  4.6653  -58.2450   37.276   -40.6056   94.621   -61.4857   40.556   15.978  7.7592  9.9047  4.8667  6.073679       9.159180 
1 1 1 -16 -50 25 o 16.035  6.6595  31.781     42.650   34.299     99.151   31.210     47.244   18.681  8.7452  16.258  6.8963  2.422806       11.13720 
1 1 1 -16 -50 26 o 12.074  5.7510  -31.5852   46.439   14.065     93.153   -46.6829   53.571   17.730  8.3553  12.308  5.9426  5.422549       10.25305 
1 1 1 -16 -50 27 o 20.236  7.9508  72.669     57.107   31.623     125.900  83.302     64.079   19.320  9.2738  21.054  8.3743  -1.733946      12.49527 
1 1 1 -16 -50 28 o 16.918  7.2675  34.587     53.667   -75.1426   114.934  65.182     60.690   16.305  8.0465  19.565  8.0163  -3.259647      11.35811 
1 1 1 -16 -50 29 o 18.128  7.5921  48.529     56.093   53.795     118.523  47.009     63.675   19.874  9.3834  18.247  7.8776  1.627052       12.25171 
1 1 1 -16 -50 30 o 11.533  5.6037  -53.6981   49.530   17.572     110.784  -71.5025   55.372   18.544  8.8463  11.637  5.7116  6.906867       10.52993 
1 1 1 -16 -50 31 o 18.521  7.3190  54.436     48.652   206.729    123.985  26.718     52.895   26.169  11.138  16.297  7.1069  9.871443       13.21259 
1 1 1 -16 -50 32 o 21.164  7.4720  78.127     47.819   36.899     101.585  89.863     54.199   18.937  8.8608  22.153  7.9405  -3.215950      11.89811 
1 1 1 -16 -50 33 o 43.235  5.8917  280.118    60.198   632.533    121.915  166.494    69.225   58.957  8.7911  28.990  8.9464  29.96704       12.54279 
1 1 1 -16 -50 34 f 15.536  6.6610  23.989     44.930   -49.6470   99.304   42.943     50.381   16.096  7.8462  17.489  7.2486  -1.392750      10.68204 
1 1 1 -16 -50 35 o 22.919  7.6244  93.332     49.593   203.117    109.590  65.060     55.613   27.170  10.903  19.593  7.7989  7.577375       13.40486 
1 1 1 -16 -50 36 o 13.449  6.1151  -1.8937    43.635   58.316     101.589  -15.5152   48.320   19.802  9.1254  13.172  6.1460  6.630497       11.00210 
1 1 1 -16 -50 37 o 9.0835  4.5269  -83.0071   39.967   -83.7884   98.991   -82.8550   43.686   15.228  7.5059  9.6724  4.8060  5.555729       8.912664 
1 1 1 -16 -50 38 o 13.880  6.4907  -14.7690   54.364   109.872    97.161   -71.5747   65.593   22.260  9.6703  12.803  6.2698  9.457045       11.52499 
1 1 1 -16 -50 39 o 15.089  6.6629  15.249     47.833   99.032     109.223  -4.6324    53.206   21.580  9.7573  14.309  6.5975  7.271519       11.77850 
1 1 1 -16 -50 40 o 15.493  6.8905  16.057     52.056   60.103     123.536  6.5468     57.401   20.202  9.5511  15.327  6.9862  4.875051       11.83345 
1 1 1 -16 -50 41 o 16.509  7.0322  32.006     49.492   43.406     146.395  30.535     52.588   20.066  9.7225  16.573  7.1571  3.492830       12.07273 
1 1 1 -16 -50 42 o 24.637  8.1032  113.002    56.076   171.985    151.735  103.672    60.349   23.535  10.951  23.208  8.3721  0.3274479      13.78491 
1 1 1 -16 -50 43 o 12.395  5.8708  -26.8912   47.082   114.238    146.723  -43.0912   49.710   21.815  10.342  11.982  5.7703  9.833468       11.84260 
1 1 1 -16 -50 44 o 16.021  7.4709  1.3725     71.228   -45.2496   185.221  9.4638     77.162   19.061  9.5367  16.747  7.7984  2.313417       12.31922 
1 1 1 -16 -50 45 o 13.547  6.5709  -52.0266   67.317   8.2915     162.501  -64.5221   73.962   19.403  9.5737  13.752  6.7183  5.651075       11.69582 
1 1 1 -16 -50 46 f 17.889  8.2385  31.397     82.627   0.0000     0.0000   31.397     82.627   ?       ?       17.889  8.2385  0.000000       8.238466 
1 1 1 -16 -50 47 o 12.626  6.0041  -28.3218   50.204   -37.3383   137.768  -26.9411   53.911   17.763  8.7739  13.111  6.2310  4.652007       10.76136 
1 1 1 -16 -50 48 o 15.789  6.9017  25.265     50.152   43.053     134.430  22.388     54.054   19.318  9.3491  15.836  7.0333  3.482574       11.69926 
1 1 1 -16 -50 49 o 19.824  9.3930  72.800     120.743  72.800     120.743  0.0000     0.0000   19.824  9.3930  ?       ?       0.000000       9.393041 
1 1 1 -16 -50 50 o 19.360  9.1565  66.235     113.755  66.235     113.755  0.0000     0.0000   19.360  9.1565  ?       ?       0.000000       9.156503 
1 1 1 -16 -49 13 o 19.759  8.3993  75.255     70.335   71.412     100.983  78.877     98.022   19.573  9.0474  19.876  9.0867  -0.3029194     12.82278 
1 1 1 -16 -49 14 o 16.277  7.3701  21.266     62.575   52.916     89.762   -8.6558    87.278   18.862  8.6496  16.339  7.8103  2.522867       11.65406 
1 1 1 -16 -49 15 o 34.063  10.851  283.741    101.025  327.115    252.300  275.458    110.250  23.828  11.789  31.573  11.324  -7.745073      16.34656 
1 1 1 -16 -49 16 o 21.473  9.2424  96.776     87.112   -121.3005  302.755  116.460    90.958   ?       ?       22.577  9.5723  0.000000       9.572345 
1 1 1 -16 -49 17 o 18.387  8.2258  43.231     75.347   -337.4183  295.174  69.762     77.928   ?       ?       19.995  8.6735  0.000000       8.673512 
1 1 1 -16 -49 18 o 30.445  11.203  247.247    108.840  173.904    295.817  258.730    117.051  22.390  11.310  30.145  11.506  -7.754782      16.13397 
1 1 1 -16 -49 19 o 22.259  9.7913  109.060    102.339  213.751    295.779  94.822     109.076  22.903  11.537  21.530  9.7413  1.372444       15.09969 
1 1 1 -16 -49 20 o 22.383  9.4543  105.399    88.191   319.319    278.947  81.642     92.959   24.347  12.105  20.969  9.2726  3.378189       15.24859 
1 1 1 -16 -49 21 o 21.202  9.0101  84.821     80.895   101.047    274.841  83.282     84.645   22.034  11.103  21.093  9.0946  0.9413452      14.35201 
1 1 1 -16 -49 22 o 11.741  5.5088  -21.5867   39.724   44.945     94.930   -35.7101   43.738   19.308  8.8692  11.577  5.5325  7.731171       10.45328 
1 1 1 -16 -49 23 o 21.864  7.4058  81.868     46.784   151.534    101.680  63.159     52.692   24.875  10.303  19.579  7.6535  5.295576       12.83444 
1 1 1 -16 -49 24 o 20.150  7.1835  67.213     44.299   130.941    101.396  52.179     49.248   23.656  10.071  18.463  7.3422  5.192982       12.46324 
1 1 1 -16 -49 25 o 10.789  5.2085  -44.0131   41.098   36.170     90.697   -64.7315   46.103   18.805  8.6498  10.692  5.2406  8.112628       10.11348 
1 1 1 -16 -49 26 o 18.080  7.0934  49.324     45.393   25.901     98.358   55.662     51.168   18.646  8.7229  18.826  7.4848  -0.1800213     11.49401 
1 1 1 -16 -49 27 o 20.765  7.4668  73.463     47.960   9.9652     99.707   92.577     54.704   18.115  8.5692  22.623  7.9914  -4.507675      11.71724 
1 1 1 -16 -49 28 o 32.539  6.9199  169.792    52.953   143.717    107.630  178.120    60.823   24.116  10.324  32.106  7.8688  -7.990410      12.98079 
1 1 1 -16 -49 29 o 24.885  8.7236  120.974    65.095   119.907    132.958  121.310    74.654   22.533  10.403  24.189  9.1991  -1.655931      13.88716 
1 1 1 -16 -49 30 o 16.187  7.1712  20.438     55.853   32.710     125.475  17.405     62.373   19.669  9.3918  16.449  7.4113  3.219627       11.96382 
1 1 1 -16 -49 31 o 14.406  6.6433  -5.8759    53.980   47.366     116.555  -20.4141   60.906   19.933  9.3789  14.352  6.7610  5.580974       11.56185 
1 1 1 -16 -49 32 o 13.202  6.2449  -26.9240   52.946   -26.1069   116.305  -27.1376   59.465   17.760  8.6194  13.906  6.5896  3.854552       10.84973 
1 1 1 -16 -49 33 o 15.963  6.8325  25.807     47.129   208.200    125.374  -4.2081    50.859   26.701  11.275  14.188  6.5079  12.51319       13.01836 
1 1 1 -16 -49 34 o 18.270  7.2006  50.679     46.973   127.430    103.011  30.530     52.780   23.417  10.064  16.720  7.1955  6.696787       12.37197 
1 1 1 -16 -49 35 o 16.438  6.9111  31.573     46.779   201.572    101.951  -13.7606   52.648   28.318  10.755  13.843  6.4447  14.47421       12.53792 
1 1 1 -16 -49 36 o 16.560  6.9355  32.891     46.814   51.764     101.914  27.844     52.704   19.811  9.1333  16.520  7.1494  3.291271       11.59874 
1 1 1 -16 -49 37 o 30.558  7.3839  155.491    54.139   192.366    111.282  144.058    61.966   26.871  10.915  27.882  8.4376  -1.010588      13.79563 
1 1 1 -16 -49 38 o 18.768  7.3036  55.089     47.820   119.353    108.675  39.658     53.253   22.928  10.087  17.501  7.3669  5.426758       12.49114 
1 1 1 -16 -49 39 o 14.002  6.3540  -0.5894    46.824   -39.0028   102.362  9.5754     52.656   16.782  8.1307  15.250  6.8456  1.531314       10.62880 
1 1 1 -16 -49 40 o 15.781  6.8556  21.427     48.831   -31.1753   112.102  33.745     54.248   17.516  8.4920  17.102  7.3256  0.4135571      11.21512 
1 1 1 -16 -49 41 o 20.448  7.7766  71.024     53.349   82.812     142.112  69.091     57.559   21.533  10.199  20.219  7.9701  1.313959       12.94390 
1 1 1 -16 -49 42 o 31.320  7.9933  170.559    60.948   372.300    150.760  131.146    66.636   33.528  12.990  25.957  8.8383  7.570663       15.71160 
1 1 1 -16 -49 43 o 16.222  7.0574  24.082     51.894   173.800    138.675  -0.2978    55.959   24.676  11.091  14.965  6.8503  9.711319       13.03556 
1 1 1 -16 -49 44 o 22.324  8.1009  89.952     56.623   153.893    141.930  77.848     61.750   23.817  10.905  20.973  8.2589  2.844631       13.67978 
1 1 1 -16 -49 45 o 23.290  9.3439  112.584    80.476   290.429    160.461  52.816     93.021   28.229  12.342  19.696  8.9450  8.532940       15.24298 
1 1 1 -16 -49 46 o 22.135  9.3270  98.844     85.504   192.199    170.905  67.676     98.751   24.276  11.402  20.444  9.2576  3.832479       14.68683 
1 1 1 -16 -49 47 o 23.726  9.4565  120.852    81.864   -8.1544    172.664  158.261    92.979   19.775  9.7776  25.834  10.147  -6.059505      14.09108 
1 1 1 -16 -49 48 o 25.531  11.291  204.202    137.846  204.202    137.846  0.0000     0.0000   25.531  11.291  ?       ?       0.000000       11.29078 
1 1 1 -16 -49 49 o 17.911  8.6329  -6.4881    111.817  -6.4881    111.817  0.0000     0.0000   17.911  8.6329  ?       ?       0.000000       8.632868 
1 1 1 -16 -49 50 o 20.434  7.7527  74.108     52.945   95.818     114.265  68.173     59.745   21.256  9.7518  19.767  8.0083  1.489407       12.61863 
1 1 1 -16 -49 51 o 13.423  6.1497  -3.6071    45.226   -59.9513   117.223  6.2464     49.021   16.573  8.1686  14.449  6.5347  2.123462       10.46076 
1 1 1 -16 -49 52 o 13.823  6.5948  -27.1519   61.593   -102.7585  159.705  -13.9411   66.758   17.246  8.6604  14.820  7.0108  2.426101       11.14249 
1 1 1 -16 -48 10 o 17.397  8.1432  21.494     85.938   0.0000     0.0000   21.494     85.938   ?       ?       17.397  8.1432  0.000000       8.143240 
1 1 1 -16 -48 11 o 18.829  8.0409  57.065     65.005   81.997     97.137   36.843     87.481   20.515  9.2454  18.298  8.4447  2.217449       12.52159 
1 1 1 -16 -48 12 o 12.624  6.0830  -44.4948   55.424   -72.2206   81.491   -20.6306   75.603   14.217  6.9680  15.441  7.3501  -1.224106      10.12801 
1 1 1 -16 -48 13 o 10.057  5.0313  -109.0670  51.507   -40.8107   82.655   -152.3992  65.857   15.338  7.3997  10.821  5.4503  4.516472       9.190279 
1 1 1 -16 -48 14 o 15.880  7.1690  12.152     58.699   99.567     85.181   -66.8980   81.002   22.157  9.3214  14.469  7.0602  7.688105       11.69343 
1 1 1 -16 -48 15 f 18.636  7.9353  48.989     62.975   69.537     97.827   34.448     82.294   20.599  9.2813  18.499  8.4061  2.100029       12.52216 
1 1 1 -16 -48 16 o 22.625  8.4864  95.170     63.025   43.947     98.997   130.079    81.727   19.567  9.0137  24.731  9.5690  -5.163757      13.14584 
1 1 1 -16 -48 17 o 42.020  8.0003  297.836    78.590   349.636    115.927  253.785    106.906  38.656  11.505  32.219  11.186  6.437019       16.04685 
1 1 1 -16 -48 18 o 24.722  10.432  146.303    107.208  7.3838     291.879  167.967    115.264  21.780  11.024  25.592  10.809  -3.812218      15.43932 
1 1 1 -16 -48 19 o 23.530  9.5845  115.229    86.120   347.495    288.333  92.478     90.240   25.417  12.579  21.976  9.4317  3.440737       15.72258 
1 1 1 -16 -48 20 o 14.998  6.9677  -9.7820    61.031   -506.6122  269.224  17.133     62.663   ?       ?       16.613  7.4619  0.000000       7.461903 
1 1 1 -16 -48 21 o 17.188  7.8906  12.993     74.981   0.0000     0.0000   12.993     74.981   ?       ?       17.188  7.8906  0.000000       7.890632 
1 1 1 -16 -48 22 o 20.238  8.6178  66.560     74.280   -11.3263   197.645  79.370     80.156   20.538  10.208  21.134  8.9747  -0.5962467     13.59198 
1 1 1 -16 -48 23 o 14.698  6.4200  13.267     43.322   108.574    191.875  8.1479     44.471   22.527  10.964  14.419  6.3930  8.107543       12.69214 
1 1 1 -16 -48 24 o 13.343  5.9586  1.9373     39.348   -30.2779   90.863   9.3730     43.653   16.467  7.8975  14.423  6.3672  2.044542       10.14460 
1 1 1 -16 -48 25 o 10.968  5.2558  -37.7996   40.052   -97.2791   88.887   -22.6467   44.864   14.409  7.1044  12.477  5.8543  1.932108       9.205689 
1 1 1 -16 -48 26 o 22.230  7.6677  85.118     50.194   47.415     100.899  97.517     57.862   19.832  9.1225  23.195  8.2161  -3.363361      12.27692 
1 1 1 -16 -48 27 o 16.106  6.7320  28.841     43.982   99.331     91.788   7.8324     50.109   22.341  9.5482  14.974  6.7027  7.367291       11.66594 
1 1 1 -16 -48 28 o 19.149  7.1498  57.693     44.636   2.1678     90.993   75.288     51.222   17.636  8.2947  21.055  7.6950  -3.419069      11.31434 
1 1 1 -16 -48 29 o 20.992  7.3473  73.279     46.167   38.514     94.111   84.297     52.979   19.265  8.8426  22.005  7.8546  -2.740250      11.82736 
1 1 1 -16 -48 30 o 39.206  5.9824  228.083    55.108   304.284    108.226  201.410    64.031   36.397  11.179  34.599  7.8120  1.798134       13.63771 
1 1 1 -16 -48 31 o 22.907  8.4637  96.736     62.225   48.870     133.956  109.906    70.266   20.664  9.8208  23.762  8.9513  -3.097876      13.28809 
1 1 1 -16 -48 32 o 19.017  7.8568  53.827     58.918   -42.3663   123.024  82.457     67.116   17.896  8.7257  21.460  8.5594  -3.563385      12.22299 
1 1 1 -16 -48 33 o 24.509  8.7156  114.201    65.173   234.400    132.453  75.802     74.863   28.205  11.727  20.923  8.7671  7.282372       14.64169 
1 1 1 -16 -48 34 o 29.210  8.8892  161.348    68.635   133.186    138.626  170.493    78.998   23.452  10.753  28.779  9.6241  -5.326460      14.43068 
1 1 1 -16 -48 35 o 21.280  7.5681  76.403     49.142   132.140    102.446  59.745     56.006   24.124  10.190  19.482  7.8023  4.642275       12.83378 
1 1 1 -16 -48 36 o 28.218  7.6041  134.423    53.241   268.729    110.890  94.189     60.694   32.993  11.396  22.747  8.3667  10.24550       14.13757 
1 1 1 -16 -48 37 o 11.853  5.6187  -30.4818   43.303   -115.2678  103.859  -12.6410   47.642   15.155  7.5093  13.428  6.2093  1.727188       9.743989 
1 1 1 -16 -48 38 o 21.343  7.7434  77.624     51.732   190.069    112.966  47.786     58.192   27.131  11.005  18.524  7.7433  8.607027       13.45612 
1 1 1 -16 -48 39 o 20.614  8.2779  71.754     63.227   187.640    113.766  19.962     76.055   26.944  11.000  17.645  8.0424  9.298241       13.62647 
1 1 1 -16 -48 40 o 18.566  7.8496  46.874     60.889   150.392    107.859  -1.5479    73.768   25.051  10.511  16.469  7.6542  8.581919       13.00300 
1 1 1 -16 -48 41 o 7.8871  4.0005  -129.5377  39.778   -64.4505   97.599   -142.5033  43.560   15.971  7.7836  8.1985  4.1613  7.772268       8.826139 
1 1 1 -16 -48 42 o 19.042  7.3627  55.920     48.359   68.501     105.463  52.570     54.417   20.958  9.5206  18.842  7.6396  2.116495       12.20680 
1 1 1 -16 -48 43 o 13.176  6.1280  -16.9099   47.411   127.258    131.376  -38.4964   50.836   23.464  10.646  12.520  5.9780  10.94455       12.20988 
1 1 1 -16 -48 44 o 18.096  7.1895  46.739     47.179   -197.1286  131.989  82.462     50.517   15.550  7.8170  22.023  7.6869  -6.472897      10.96330 
1 1 1 -16 -48 45 o 17.710  7.4606  38.733     54.683   33.201     135.804  39.804     59.741   20.447  9.7653  18.047  7.7078  2.399860       12.44069 
1 1 1 -16 -48 46 o 23.084  10.666  117.166    140.162  117.166    140.162  0.0000     0.0000   23.084  10.666  ?       ?       0.000000       10.66608 
1 1 1 -16 -48 47 o 22.928  10.857  114.666    160.839  114.666    160.839  0.0000     0.0000   22.928  10.857  ?       ?       0.000000       10.85717 
1 1 1 -16 -48 48 o 18.555  9.1198  -52.0863   142.758  -52.0863   142.758  0.0000     0.0000   18.555  9.1198  ?       ?       0.000000       9.119830 
1 1 1 -16 -48 49 o 24.597  8.2980  110.343    58.732   205.277    174.651  98.238     62.364   25.097  11.702  23.059  8.4811  2.038227       14.45207 
1 1 1 -16 -48 50 f 18.888  7.3133  55.480     47.762   -71.5798   125.903  76.839     51.621   17.294  8.5127  21.171  7.7268  -3.876957      11.49649 
1 1 1 -16 -48 51 o 11.023  5.3116  -43.1498   42.261   60.516     117.641  -58.5104   45.284   20.494  9.5719  10.824  5.2811  9.670490       10.93213 
1 1 1 -16 -48 52 o 17.587  7.2316  43.390     49.611   147.779    133.229  26.584     53.455   23.448  10.670  16.414  7.1516  7.033281       12.84537 
1 1 1 -16 -48 53 o 22.132  9.0527  101.049    77.231   24.572     177.994  118.786    85.721   20.095  9.9346  23.086  9.5009  -2.990820      13.74637 
1 1 1 -16 -48 54 o 18.297  8.0626  47.677     69.682   -34.4341   174.339  63.289     76.018   18.812  9.3877  19.376  8.4828  -0.5644169     12.65252 
1 1 1 -16 -47 8  o 16.319  7.8162  -18.3786   88.362   0.0000     0.0000   -18.3786   88.362   ?       ?       16.319  7.8162  0.000000       7.816238 
1 1 1 -16 -47 9  o 17.492  7.6435  35.683     61.463   150.106    88.818   -69.4653   85.142   25.410  9.9354  14.670  7.1755  10.74029       12.25560 
1 1 1 -16 -47 10 o 16.038  7.1885  15.137     57.838   37.576     85.224   -4.0210    78.749   18.747  8.5325  16.546  7.7611  2.200974       11.53426 
1 1 1 -16 -47 11 o 20.200  8.2951  67.498     65.167   23.711     94.101   107.850    90.334   18.618  8.6502  22.875  9.6101  -4.257214      12.92980 
1 1 1 -16 -47 12 o 16.583  7.3741  19.415     59.597   140.964    90.901   -72.2243   78.928   25.284  10.0000 14.294  6.9738  10.98937       12.19163 
1 1 1 -16 -47 13 f 26.650  8.6802  132.059    64.404   169.512    94.135   99.100     88.307   27.364  10.348  22.598  9.4981  4.766117       14.04638 
1 1 1 -16 -47 14 o 27.657  8.6450  140.427    64.406   123.822    96.144   153.945    86.746   24.099  10.003  26.798  9.9750  -2.699242      14.12653 
1 1 1 -16 -47 15 o 18.526  7.8677  44.208     61.610   73.925     93.590   21.482     81.846   21.235  9.3515  18.186  8.3097  3.049591       12.51012 
1 1 1 -16 -47 16 o 39.129  7.8155  252.034    71.606   324.848    111.246  200.525    93.565   38.310  11.237  30.175  10.465  8.134342       15.35546 
1 1 1 -16 -47 17 o 16.045  7.3467  2.2594     64.425   3.0305     93.052   1.5494     89.286   17.986  8.4364  17.719  8.2961  0.2666740      11.83209 
1 1 1 -16 -47 18 o 26.454  8.5047  127.442    61.955   232.134    105.318  72.041     76.614   31.280  11.084  20.882  8.8156  10.39844       14.16232 
1 1 1 -16 -47 19 o 22.912  8.6798  96.310     66.299   102.968    111.252  92.643     82.561   22.733  10.094  22.294  9.2629  0.4388580      13.69981 
1 1 1 -16 -47 20 o 26.071  8.7656  127.238    65.536   90.600     102.185  152.838    85.416   22.127  9.7565  26.804  9.9137  -4.676338      13.90945 
1 1 1 -16 -47 21 o 15.378  7.1866  -14.3969   66.478   -34.6546   188.560  -11.5216   71.039   20.358  10.093  15.899  7.4299  4.458442       12.53281 
1 1 1 -16 -47 22 o 32.533  10.092  218.160    87.961   370.617    206.602  184.407    97.211   29.304  13.317  28.375  10.560  0.9286308      16.99573 
1 1 1 -16 -47 23 o 16.037  7.3960  -1.8160    66.919   -155.9436  189.850  20.050     71.509   18.716  9.4043  17.516  7.9096  1.200294       12.28832 
1 1 1 -16 -47 24 o 18.383  8.0823  36.546     69.657   171.530    188.983  15.324     74.933   24.475  11.642  17.490  7.9760  6.984478       14.11190 
1 1 1 -16 -47 25 o 29.173  7.4680  139.907    53.087   258.837    206.472  131.488    54.934   26.331  12.418  27.827  7.8145  -1.495611      14.67202 
1 1 1 -16 -47 26 o 37.672  5.9092  207.918    52.239   204.492    109.052  208.938    59.511   28.905  11.088  36.603  6.9549  -7.697153      13.08892 
1 1 1 -16 -47 27 o 13.410  6.0830  -4.7559    42.859   -7.7478    89.251   -3.8592    48.862   17.401  8.1937  14.203  6.4629  3.198540       10.43578 
1 1 1 -16 -47 28 o 23.922  7.3591  94.512     46.883   111.264    95.270   89.159     53.856   23.463  9.8638  22.779  7.9376  0.6842518      12.66099 
1 1 1 -16 -47 29 o 14.546  6.3501  11.078     42.329   -109.2434  87.062   48.325     48.440   14.132  6.9792  18.406  7.2937  -4.274480      10.09494 
1 1 1 -16 -47 30 o 22.573  7.3874  84.036     46.627   149.600    96.716   64.183     53.221   25.997  10.305  20.104  7.7377  5.893736       12.88640 
1 1 1 -16 -47 31 o 16.628  6.8491  32.127     44.597   -33.0418   99.055   48.695     49.946   17.169  8.2370  18.504  7.3829  -1.335587      11.06143 
1 1 1 -16 -47 32 o 15.835  6.6790  24.130     43.913   -76.4355   94.163   52.080     49.641   15.569  7.6003  18.834  7.4087  -3.265211      10.61385 
1 1 1 -16 -47 33 o 17.086  7.4694  25.469     58.754   43.235     122.445  20.155     66.967   20.680  9.6929  17.307  7.7479  3.372925       12.40890 
1 1 1 -16 -47 34 f 21.503  8.3784  78.851     62.991   114.128    130.994  68.240     71.842   23.356  10.610  20.676  8.6199  2.679657       13.67030 
1 1 1 -16 -47 35 o 13.626  6.4473  -31.2593   56.504   84.019     123.854  -61.5584   63.497   22.164  10.163  13.201  6.3978  8.962907       12.00871 
1 1 1 -16 -47 36 o 23.731  8.6648  102.875    64.925   32.403     128.115  127.228    75.313   20.472  9.6928  25.463  9.3270  -4.991726      13.45147 
1 1 1 -16 -47 37 o 23.915  7.7056  96.806     50.838   178.734    111.823  75.461     57.078   27.084  10.962  21.230  8.0510  5.853951       13.60086 
1 1 1 -16 -47 38 o 19.136  7.4177  55.216     49.179   24.199     111.264  62.747     54.825   19.664  9.2241  19.974  7.8071  -0.3100853     12.08444 
1 1 1 -16 -47 39 o 15.048  6.6077  11.890     46.433   12.025     102.659  11.855     52.063   18.877  8.8564  15.592  6.9150  3.284209       11.23623 
1 1 1 -16 -47 40 o 15.608  6.7557  18.272     47.071   107.767    99.678   -7.4141    53.401   23.216  9.9368  14.504  6.6588  8.711510       11.96162 
1 1 1 -16 -47 41 o 18.294  7.2397  47.485     47.669   43.235     99.444   48.753     54.316   19.985  9.1423  18.654  7.6065  1.330404       11.89287 
1 1 1 -16 -47 42 o 10.225  5.0136  -64.8129   42.351   -129.1265  129.455  -57.1046   44.818   16.666  8.2795  10.917  5.3102  5.749019       9.836020 
1 1 1 -16 -47 43 o 20.900  7.9545  72.073     55.846   3.4295     158.116  81.857     59.693   20.509  9.9758  21.822  8.2434  -1.312637      12.94104 
1 1 1 -16 -47 44 o 22.903  7.8279  89.220     52.273   -1.5184    128.219  107.308    57.246   19.505  9.3615  24.699  8.1904  -5.194304      12.43867 
1 1 1 -16 -47 45 o 25.539  11.217  166.335    133.894  166.335    133.894  0.0000     0.0000   25.539  11.217  ?       ?       0.000000       11.21749 
1 1 1 -16 -47 46 o 18.463  9.0022  -49.1604   130.973  -49.1604   130.973  0.0000     0.0000   18.463  9.0022  ?       ?       0.000000       9.002238 
1 1 1 -16 -47 47 o 31.282  12.340  278.471    138.073  278.471    138.073  0.0000     0.0000   31.282  12.340  ?       ?       0.000000       12.33994 
1 1 1 -16 -47 48 o 23.375  9.3786  104.016    81.082   5.8534     185.995  127.048    90.093   21.282  10.450  24.806  9.9097  -3.524132      14.40158 
1 1 1 -16 -47 49 o 30.383  9.6940  182.709    80.612   132.861    204.989  191.828    87.676   23.834  11.537  30.365  10.139  -6.531019      15.35907 
1 1 1 -16 -47 50 o 26.610  7.8303  120.422    53.943   30.266     188.686  128.447    56.293   21.653  10.611  27.342  7.9858  -5.688669      13.27991 
1 1 1 -16 -47 51 o 11.437  5.4630  -37.4661   42.537   -62.7469   117.487  -33.6521   45.633   17.355  8.4761  12.086  5.7405  5.268905       10.23709 
1 1 1 -16 -47 52 o 18.699  7.3511  52.102     48.843   76.304     126.196  47.837     52.972   21.635  10.040  18.418  7.5112  3.216827       12.53882 
1 1 1 -16 -47 53 o 12.936  6.2312  -48.9115   58.040   -142.6021  121.189  -21.0262   66.115   15.725  7.8439  14.945  7.0418  0.7793379      10.54103 
1 1 1 -16 -47 54 f 16.505  7.6562  3.0463     73.261   269.891    174.379  -54.1484   80.731   26.697  12.172  14.882  7.2129  11.81537       14.14849 
1 1 1 -16 -47 55 o 23.956  9.4608  124.985    81.247   46.696     187.875  142.994    90.108   20.792  10.265  24.773  9.9054  -3.980728      14.26518 
1 1 1 -16 -46 6  o 23.534  9.6978  122.739    89.454   0.0000     0.0000   122.739    89.454   ?       ?       23.534  9.6978  0.000000       9.697844 
1 1 1 -16 -46 7  o 17.786  8.2910  11.235     87.595   0.0000     0.0000   11.235     87.595   ?       ?       17.786  8.2910  0.000000       8.291048 
1 1 1 -16 -46 8  o 16.798  7.5301  17.960     63.483   -14.4019   86.683   55.395     93.230   16.862  7.9807  20.154  9.0725  -3.291420      12.08308 
1 1 1 -16 -46 9  o 14.645  6.8037  -13.6157   58.185   -32.9918   84.971   3.4911     79.840   16.165  7.7213  17.250  7.9984  -1.084961      11.11725 
1 1 1 -16 -46 10 f 15.273  7.0181  -5.2099    59.510   45.957     86.486   -51.2191   82.012   19.724  8.8192  15.371  7.4048  4.353332       11.51565 
1 1 1 -16 -46 11 o 17.271  7.5950  24.533     61.538   -108.3750  92.963   128.198    82.102   14.711  7.2555  25.294  9.6405  -10.58233      12.06572 
1 1 1 -16 -46 12 o 21.997  8.3462  82.623     61.363   62.093     91.082   99.686     83.034   20.824  9.1950  23.102  9.4107  -2.277897      13.15715 
1 1 1 -16 -46 13 o 14.132  6.5889  -19.4469   55.356   -9.9823    84.273   -26.6297   73.415   17.137  8.0353  15.609  7.3744  1.528427       10.90630 
1 1 1 -16 -46 14 o 27.177  8.8870  136.340    67.485   133.642    105.059  138.235    88.054   24.852  10.398  25.832  9.9500  -0.9798584     14.39147 
1 1 1 -16 -46 15 o 19.952  8.0265  60.688     59.561   184.140    90.965   -31.9579   78.803   29.405  10.312  15.835  7.5278  13.57025       12.76745 
1 1 1 -16 -46 16 o 16.825  7.4523  19.019     60.286   48.470     90.536   -4.4406    80.805   20.070  8.9951  17.096  7.9674  2.973982       12.01631 
1 1 1 -16 -46 17 o 15.551  6.9126  10.102     52.316   68.125     82.975   -28.1850   67.402   20.960  9.0208  14.966  7.0690  5.994077       11.46067 
1 1 1 -16 -46 18 o 16.305  7.2453  14.472     57.431   126.465    99.245   -41.9108   70.419   24.543  10.173  14.703  7.0247  9.840496       12.36281 
1 1 1 -16 -46 19 o 21.126  8.3829  73.364     64.068   37.517     108.370  92.625     79.436   20.213  9.3534  22.621  9.2085  -2.407417      13.12569 
1 1 1 -16 -46 20 o 34.091  6.2390  172.722    49.707   247.744    107.003  152.079    56.131   32.974  11.200  30.499  7.6097  2.475576       13.54059 
1 1 1 -16 -46 21 o 36.970  5.8421  198.080    50.665   131.209    103.926  218.929    58.028   24.810  10.357  38.196  6.4935  -13.38656      12.22460 
1 1 1 -16 -46 22 o 13.487  6.3362  -26.5727   52.843   -141.9595  87.109   40.616     66.471   13.480  6.7121  18.715  8.0643  -5.235203      10.49218 
1 1 1 -16 -46 23 o 13.984  6.6492  -38.1760   61.539   95.617     177.341  -56.4922   65.616   23.330  11.147  13.711  6.6094  9.619112       12.95897 
1 1 1 -16 -46 24 o 18.786  8.2014  37.741     70.618   283.729    184.196  -4.6457    76.461   28.864  12.891  16.884  7.8282  11.98010       15.08141 
1 1 1 -16 -46 25 o 22.320  9.0332  85.838     75.931   73.714     171.979  88.774     84.625   22.864  10.939  22.531  9.3710  0.3329067      14.40388 
1 1 1 -16 -46 26 o 24.210  9.1973  108.234    74.572   117.570    174.074  106.135    82.529   24.051  11.360  23.828  9.4955  0.2225075      14.80620 
1 1 1 -16 -46 27 o 14.903  6.5889  7.2736     46.917   -97.7794   163.289  16.727     48.982   19.163  9.4810  15.832  6.8721  3.330538       11.70965 
1 1 1 -16 -46 28 o 11.629  5.4515  -24.7410   38.752   -110.4170  87.813   -4.0203    43.185   14.354  7.0741  13.640  6.1542  0.7145329      9.376409 
1 1 1 -16 -46 29 o 15.468  6.5804  18.909     43.235   125.920    91.462   -11.8837   49.062   25.154  10.005  13.892  6.3794  11.26182       11.86569 
1 1 1 -16 -46 30 o 19.228  7.1847  54.509     45.089   -13.4406   93.479   75.111     51.473   17.805  8.3841  21.595  7.7385  -3.790129      11.40955 
1 1 1 -16 -46 31 o 16.820  6.8610  32.363     44.212   31.590     93.579   32.585     50.164   19.686  8.9524  17.266  7.2009  2.419722       11.48907 
1 1 1 -16 -46 32 o 16.650  6.8758  29.921     45.096   -0.8949    96.112   38.620     51.066   18.448  8.6278  17.859  7.3395  0.5883751      11.32724 
1 1 1 -16 -46 33 o 18.327  7.1806  45.920     46.465   171.239    96.372   7.9646     53.037   28.378  10.523  15.616  6.9499  12.76118       12.61127 
1 1 1 -16 -46 34 o 29.131  8.9049  152.279    68.771   308.391    138.523  101.218    79.223   34.097  12.622  23.599  9.3351  10.49806       15.69921 
1 1 1 -16 -46 35 o 21.608  8.4406  76.219     64.054   -1.4281    133.815  99.299     72.955   20.155  9.6443  23.545  9.0603  -3.390505      13.23259 
1 1 1 -16 -46 36 o 21.246  8.4430  72.216     65.079   59.166     135.955  76.096     74.123   22.015  10.285  21.646  8.8630  0.3681641      13.57669 
1 1 1 -16 -46 37 o 25.886  9.0077  122.918    69.343   59.023     143.140  142.511    79.265   22.122  10.404  27.086  9.6140  -4.964157      14.16606 
1 1 1 -16 -46 38 o 10.277  5.1225  -106.8416  51.291   -134.3486  99.294   -96.8308   59.901   14.755  7.3168  11.725  5.7904  3.029959       9.330841 
1 1 1 -16 -46 39 o 21.215  7.6247  72.193     50.005   -77.4953   100.930  120.889    57.566   16.234  7.9128  26.580  8.1509  -10.34564      11.36005 
1 1 1 -16 -46 40 o 11.699  5.5636  -35.7229   43.129   -86.3402   94.777   -22.5036   48.435   15.518  7.5862  13.162  6.1456  2.355585       9.763138 
1 1 1 -16 -46 41 o 36.779  6.6204  203.974    56.909   128.883    112.767  229.632    65.918   24.645  10.559  38.182  7.3822  -13.53690      12.88399 
1 1 1 -16 -46 42 o 27.192  7.8700  123.954    54.895   227.783    109.054  88.716     63.531   31.348  11.261  22.652  8.5158  8.695276       14.11811 
1 1 1 -16 -46 43 o 11.446  5.4956  -44.3344   44.272   -104.2651  95.649   -27.9942   49.944   15.108  7.4335  13.057  6.1425  2.051037       9.643034 
1 1 1 -16 -46 44 o 22.590  9.9524  89.411     106.123  89.411     106.123  0.0000     0.0000   22.590  9.9524  ?       ?       0.000000       9.952443 
1 1 1 -16 -46 45 o 22.578  10.474  81.206     137.159  81.206     137.159  0.0000     0.0000   22.578  10.474  ?       ?       0.000000       10.47424 
1 1 1 -16 -46 46 o 19.533  7.5995  56.883     51.765   308.296    119.737  -0.9066    57.406   36.324  11.836  15.422  7.0127  20.90261       13.75729 
1 1 1 -16 -46 47 o 16.748  7.0538  28.518     48.866   135.827    119.524  6.9817     53.546   24.900  10.771  15.540  6.9445  9.360128       12.81595 
1 1 1 -16 -46 48 o 17.962  7.8010  31.210     63.191   178.085    122.534  -22.0031   73.755   27.124  11.278  15.919  7.4808  11.20549       13.53386 
1 1 1 -16 -46 49 o 81.271  7.7083  1047.60    150.186  3126.07    277.048  182.622    178.726  137.811 8.3243  25.864  11.984  111.9468       14.59122 
1 1 1 -16 -46 50 o 30.079  9.0680  165.019    71.670   -241.5663  187.278  234.783    77.576   18.042  9.1001  36.789  8.8074  -18.74674      12.66420 
1 1 1 -16 -46 51 o 24.148  7.7385  97.077     51.326   58.351     126.840  104.660    56.127   21.669  10.060  24.729  8.1056  -3.059368      12.91882 
1 1 1 -16 -46 52 o 14.105  6.4137  -5.3664    48.017   45.564     123.881  -14.3710   52.089   21.064  9.8327  14.050  6.4957  7.013420       11.78456 
1 1 1 -16 -46 53 o 19.884  7.6314  61.275     51.673   160.235    130.790  42.972     56.249   25.535  11.154  18.332  7.6336  7.202883       13.51625 
1 1 1 -16 -46 54 o 12.984  6.3586  -81.3271   67.480   0.0000     0.0000   -81.3271   67.480   ?       ?       12.984  6.3586  0.000000       6.358575 
1 1 1 -16 -46 55 o 15.959  7.5896  -26.8677   80.252   0.0000     0.0000   -26.8677   80.252   ?       ?       15.959  7.5896  0.000000       7.589567 
1 1 1 -16 -46 56 o 19.504  8.6049  53.543     79.603   0.0000     0.0000   53.543     79.603   ?       ?       19.504  8.6049  0.000000       8.604887 
1 1 1 -16 -45 4  o 22.904  9.5113  106.902    86.984   0.0000     0.0000   106.902    86.984   ?       ?       22.904  9.5113  0.000000       9.511257 
1 1 1 -16 -45 5  o 16.907  7.9165  -5.8543    81.330   0.0000     0.0000   -5.8543    81.330   ?       ?       16.907  7.9165  0.000000       7.916459 
1 1 1 -16 -45 6  o 19.595  8.8936  38.939     91.771   0.0000     0.0000   38.939     91.771   ?       ?       19.595  8.8936  0.000000       8.893575 
1 1 1 -16 -45 7  o 28.142  8.8574  144.502    67.480   234.613    95.516   54.709     95.347   33.553  10.534  20.616  9.2359  12.93712       14.00980 
1 1 1 -16 -45 8  o 43.735  7.5261  302.137    76.986   314.530    112.275  291.140    105.765  38.221  11.311  37.298  10.961  0.9223671      15.75053 
1 1 1 -16 -45 9  o 15.038  6.9253  -10.1662   58.377   33.922     85.623   -48.4607   79.799   19.370  8.7095  15.452  7.4080  3.918663       11.43391 
1 1 1 -16 -45 10 o 29.155  9.0391  154.638    70.575   259.233    105.574  70.136     94.893   34.701  11.096  21.615  9.4700  13.08609       14.58786 
1 1 1 -16 -45 11 o 16.730  7.3656  18.027     58.027   73.904     85.843   -28.9878   78.742   21.656  9.2440  16.096  7.6143  5.560078       11.97619 
1 1 1 -16 -45 12 o 26.251  8.5411  121.536    62.363   207.829    93.466   52.292     83.725   31.676  10.464  20.281  8.8901  11.39482       13.73034 
1 1 1 -16 -45 13 o 14.142  6.5429  -15.4374   52.988   -1.7103    82.206   -25.1944   69.306   17.473  8.1068  15.390  7.2385  2.082997       10.86812 
1 1 1 -16 -45 14 o 16.893  7.3909  21.149     57.625   2.8913     87.442   35.165     76.616   18.014  8.3590  18.986  8.4058  -0.9721050     11.85451 
1 1 1 -16 -45 15 o 17.961  7.3932  39.681     51.918   129.735    87.672   -8.9543    64.429   25.503  9.8990  15.701  7.2465  9.802804       12.26790 
1 1 1 -16 -45 16 o 22.241  8.1057  82.228     56.779   46.185     95.481   101.946    70.622   20.397  9.1817  23.813  8.9733  -3.415792      12.83841 
1 1 1 -16 -45 17 o 38.481  7.6301  235.370    68.727   214.498    112.223  247.895    86.936   30.329  11.334  36.657  9.6441  -6.328560      14.88213 
1 1 1 -16 -45 18 o 19.838  8.0488  56.351     60.446   157.208    96.788   -8.1377    77.395   27.289  10.451  16.898  7.8492  10.39093       13.07065 
1 1 1 -16 -45 19 o 14.746  6.2893  14.780     39.679   29.567     93.045   11.493     43.868   19.627  8.9263  14.935  6.4931  4.692080       11.03810 
1 1 1 -16 -45 20 o 25.788  6.9716  103.568    44.666   46.835     96.129   119.190    50.442   20.620  9.2532  27.308  7.4196  -6.687719      11.86055 
1 1 1 -16 -45 21 o 30.676  6.5604  141.016    47.353   92.075     100.242  155.075    53.725   23.143  9.9368  31.620  7.1678  -8.477345      12.25227 
1 1 1 -16 -45 22 f 37.752  5.6435  201.579    50.110   93.010     106.348  232.562    56.812   23.313  10.122  40.225  6.0047  -16.91204      11.76949 
1 1 1 -16 -45 23 o 22.563  7.3759  80.291     46.488   139.308    97.785   63.058     52.842   26.338  10.386  20.467  7.7501  5.870756       12.95909 
1 1 1 -16 -45 24 o 41.238  7.8062  267.860    75.248   237.800    111.832  292.729    101.720  32.914  11.440  39.196  10.489  -6.281593      15.52070 
1 1 1 -16 -45 25 f 42.869  8.8945  307.800    89.487   238.938    188.209  327.915    101.720  28.583  12.877  42.597  10.011  -14.01399      16.31016 
1 1 1 -16 -45 26 o 21.886  8.8742  73.780     73.428   -40.5560   164.507  102.227    82.056   20.858  10.152  24.127  9.5143  -3.268253      13.91375 
1 1 1 -16 -45 27 o 16.318  7.4810  -6.9208    67.082   248.427    159.858  -61.4958   73.904   30.243  12.749  14.666  7.0564  15.57739       14.57156 
1 1 1 -16 -45 28 o 13.985  6.6727  -48.1824   63.089   114.760    153.406  -81.3512   69.213   24.938  11.388  13.490  6.5701  11.44849       13.14730 
1 1 1 -16 -45 29 o 36.260  6.7466  195.053    57.172   305.770    173.261  181.524    60.565   32.305  13.420  34.194  7.5056  -1.888512      15.37649 
1 1 1 -16 -45 30 f 13.353  6.0645  -9.5395    42.762   44.267     95.923   -22.8852   47.772   20.878  9.3149  13.236  6.1544  7.641805       11.16443 
1 1 1 -16 -45 31 o 21.469  7.4142  70.694     46.936   83.873     97.114   66.677     53.614   23.060  9.8374  21.011  7.8378  2.048752       12.57801 
1 1 1 -16 -45 32 o 39.465  5.8189  220.114    54.049   290.834    108.803  196.945    62.277   38.263  11.081  35.766  7.4194  2.496681       13.33573 
1 1 1 -16 -45 33 o 11.484  5.4703  -39.1052   42.041   -253.9139  172.175  -25.4859   43.353   17.743  8.9206  12.433  5.8082  5.310101       10.64487 
1 1 1 -16 -45 34 o 14.756  6.5034  5.2045     45.352   -4.4052    99.465   7.7267     50.957   18.903  8.8194  15.586  6.8801  3.316747       11.18554 
1 1 1 -16 -45 35 o 26.896  7.5855  115.092    51.647   89.060     108.171  122.779    58.779   23.425  10.190  27.211  8.2140  -3.785830      13.08844 
1 1 1 -16 -45 36 o 47.270  7.5103  343.409    83.259   294.233    153.185  364.028    99.189   32.982  13.002  46.450  9.1262  -13.46777      15.88499 
1 1 1 -16 -45 37 o 43.707  7.9310  301.638    81.011   307.193    151.484  299.413    95.873   33.778  13.039  40.950  9.7829  -7.172001      16.30127 
1 1 1 -16 -45 38 o 14.514  6.8206  -30.1863   61.300   -44.3266   135.036  -26.5160   68.797   19.467  9.4083  15.483  7.2599  3.983666       11.88372 
1 1 1 -16 -45 39 o 28.183  7.6410  127.461    53.565   73.430     105.377  146.285    62.201   22.385  9.8870  29.536  8.3226  -7.150715      12.92360 
1 1 1 -16 -45 40 o 29.685  7.6372  141.065    55.326   186.740    111.562  126.169    63.712   28.948  11.186  26.992  8.6189  1.956306       14.12115 
1 1 1 -16 -45 41 o 27.855  7.6804  125.495    53.588   151.383    112.433  117.886    60.957   26.531  10.895  26.225  8.4363  0.3056755      13.77974 
1 1 1 -16 -45 42 f 19.725  9.1142  19.451     102.347  19.451     102.347  0.0000     0.0000   19.725  9.1142  ?       ?       0.000000       9.114159 
1 1 1 -16 -45 43 o 28.139  11.463  187.980    123.191  187.980    123.191  0.0000     0.0000   28.139  11.463  ?       ?       0.000000       11.46268 
1 1 1 -16 -45 44 o 35.082  12.585  313.545    136.161  313.545    136.161  0.0000     0.0000   35.082  12.585  ?       ?       0.000000       12.58466 
1 1 1 -16 -45 45 o 17.835  7.3716  37.269     51.899   -5.4887    111.974  48.967     58.570   19.208  9.0848  19.192  7.8706  0.1651573E-01  12.01999 
1 1 1 -16 -45 46 o 33.524  7.0492  173.034    55.521   307.790    127.784  141.674    61.644   35.718  12.239  28.826  8.3387  6.891756       14.80960 
1 1 1 -16 -45 47 o 11.855  5.6282  -35.5633   43.775   -8.1156    116.035  -40.1179   47.268   19.317  9.1688  12.153  5.7921  7.164103       10.84503 
1 1 1 -16 -45 48 o 22.415  7.9531  82.248     54.239   210.969    121.887  50.464     60.566   29.564  11.616  19.404  7.9859  10.15979       14.09607 
1 1 1 -16 -45 49 o 30.617  8.7956  164.152    68.797   92.686     129.386  192.322    81.231   23.354  10.584  32.053  9.6518  -8.699186      14.32403 
1 1 1 -16 -45 50 o 14.308  6.7312  -29.8733   59.989   -17.3369   176.753  -31.5054   63.774   21.371  10.428  14.656  6.9086  6.715120       12.50926 
1 1 1 -16 -45 51 o 20.300  8.2925  59.050     64.700   -172.9351  174.728  95.913     69.651   18.667  9.3280  23.505  8.8984  -4.838295      12.89160 
1 1 1 -16 -45 52 o 22.681  7.7482  83.491     51.214   -0.2471    112.173  105.542    57.563   19.438  9.1628  24.969  8.2099  -5.530876      12.30276 
1 1 1 -16 -45 53 o 32.970  7.1428  168.556    55.489   97.199     116.775  189.367    63.064   23.377  10.362  34.320  7.7555  -10.94352      12.94318 
1 1 1 -16 -45 54 o 13.969  6.4325  -13.1826   50.347   0.0000     0.0000   -13.1826   50.347   ?       ?       13.969  6.4325  0.000000       6.432471 
1 1 1 -16 -45 55 o 13.761  6.7427  -89.2058   76.176   0.0000     0.0000   -89.2058   76.176   ?       ?       13.761  6.7427  0.000000       6.742740 
1 1 1 -16 -45 56 o 11.470  5.6996  -110.4891  61.463   -233.9301  171.070  -92.1929   65.860   17.225  8.6889  12.505  6.1557  4.719504       10.64847 
1 1 1 -16 -45 57 o 27.735  9.7860  160.233    82.011   171.657    206.326  158.089    89.375   24.187  11.674  26.894  10.102  -2.707714      15.43851 
1 1 1 -16 -44 2  o 22.873  11.154  103.025    201.257  0.0000     0.0000   103.025    201.257  ?       ?       22.873  11.154  0.000000       11.15395 
1 1 1 -16 -44 3  o 19.711  9.7815  -78.3122   178.761  0.0000     0.0000   -78.3122   178.761  ?       ?       19.711  9.7815  0.000000       9.781494 
1 1 1 -16 -44 4  o 21.361  10.493  -10.5288   188.173  0.0000     0.0000   -10.5288   188.173  ?       ?       21.361  10.493  0.000000       10.49314 
1 1 1 -16 -44 5  o 24.528  11.771  128.023    202.627  0.0000     0.0000   128.023    202.627  ?       ?       24.528  11.771  0.000000       11.77141 
1 1 1 -16 -44 6  o 55.404  9.2947  529.961    120.525  554.414    140.336  461.231    235.281  53.060  11.250  32.706  14.590  20.35395       18.42368 
1 1 1 -16 -44 7  o 36.342  8.3769  219.082    72.353   292.499    104.583  151.684    100.203  38.338  10.788  26.957  10.550  11.38093       15.08878 
1 1 1 -16 -44 8  o 50.878  6.5547  381.449    79.037   209.790    117.371  523.874    106.911  30.031  11.507  57.608  7.8530  -27.57692      13.93162 
1 1 1 -16 -44 9  o 23.415  8.5314  93.200     62.894   8.4265     93.837   162.344    84.746   18.831  8.7104  28.816  9.9619  -9.984768      13.23295 
1 1 1 -16 -44 10 o 15.287  6.8852  0.7526     53.775   -119.5832  82.942   88.019     70.632   13.747  6.7935  22.789  8.8740  -9.042052      11.17589 
1 1 1 -16 -44 11 o 17.463  7.4359  29.606     55.299   16.778     82.200   40.212     74.739   18.498  8.4040  19.371  8.4476  -0.8724747     11.91588 
1 1 1 -16 -44 12 o 44.584  6.7444  296.855    70.682   318.298    106.952  280.228    94.180   40.242  10.750  38.940  9.9354  1.302132       14.63782 
1 1 1 -16 -44 13 f 23.260  8.4864  91.469     62.263   107.870    96.965   79.962     81.218   24.095  10.027  22.218  9.2055  1.877066       13.61184 
1 1 1 -16 -44 14 o 16.045  6.9459  17.026     49.770   16.446     88.297   17.296     60.254   18.892  8.6318  16.998  7.4934  1.894176       11.43064 
1 1 1 -16 -44 15 o 22.306  8.0680  80.507     56.098   67.756     91.443   88.203     71.036   21.725  9.4097  22.901  8.9044  -1.175879      12.95496 
1 1 1 -16 -44 16 o 20.540  7.8764  63.178     55.014   91.051     92.734   48.041     68.338   23.212  9.7435  19.716  8.3247  3.496017       12.81545 
1 1 1 -16 -44 17 o 27.153  8.8487  128.691    66.926   107.413    105.077  143.215    86.812   24.315  10.298  27.277  10.010  -2.961727      14.36135 
1 1 1 -16 -44 18 o 24.633  7.0522  93.693     44.296   98.824     97.778   92.368     49.687   23.892  10.016  24.085  7.6029  -0.1925316     12.57465 
1 1 1 -16 -44 19 o 21.658  7.0481  71.366     42.465   54.367     94.778   75.635     47.500   21.375  9.4119  22.090  7.4624  -0.7156315     12.01126 
1 1 1 -16 -44 20 f 18.921  6.9857  49.937     42.373   170.076    95.400   20.411     47.294   29.368  10.534  16.248  6.8964  13.12015       12.59071 
1 1 1 -16 -44 21 o 23.081  7.1892  81.719     44.586   84.747     96.713   80.901     50.243   23.308  9.8758  22.773  7.6750  0.5352287      12.50746 
1 1 1 -16 -44 22 o 21.754  7.2580  71.618     44.929   71.572     94.523   71.632     51.067   22.560  9.6667  21.701  7.7152  0.8581257      12.36809 
1 1 1 -16 -44 23 o 27.967  6.9289  117.532    46.777   100.228    96.923   122.786    53.409   24.431  10.084  28.007  7.6452  -3.576128      12.65447 
1 1 1 -16 -44 24 o 36.805  5.8900  190.467    50.827   193.024    100.751  189.594    58.867   31.342  10.860  35.703  7.0454  -4.361502      12.94550 
1 1 1 -16 -44 25 o 34.430  6.1937  169.147    49.840   171.730    102.163  168.341    57.096   29.588  10.859  33.433  7.2472  -3.845034      13.05548 
1 1 1 -16 -44 26 f 19.144  7.9424  40.499     60.570   -9.3981    93.698   76.320     79.388   18.691  8.6660  22.694  9.2183  -4.002836      12.65218 
1 1 1 -16 -44 27 o 20.648  8.5764  52.420     70.749   261.773    158.101  0.0001     79.112   32.431  13.066  18.023  8.2099  14.40767       15.43159 
1 1 1 -16 -44 28 o 15.737  7.2203  -14.2311   62.650   -95.1823   147.425  3.6102     69.211   19.566  9.5425  17.376  7.8200  2.189613       12.33740 
1 1 1 -16 -44 29 o 47.506  8.4779  354.778    94.140   539.282    182.643  288.027    109.857  46.944  14.539  39.004  11.085  7.940804       18.28296 
1 1 1 -16 -44 30 o 20.549  8.5499  50.817     70.480   -1.5786    152.285  65.100     79.507   22.121  10.501  21.958  9.1039  0.1628551      13.89799 
1 1 1 -16 -44 31 o 56.678  4.7278  426.424    64.425   549.011    119.284  375.939    76.550   59.094  8.5691  51.617  6.2386  7.476406       10.59953 
1 1 1 -16 -44 32 o 34.562  6.5891  173.042    53.240   95.121     107.516  198.357    61.281   24.492  10.397  36.529  7.1700  -12.03668      12.62963 
1 1 1 -16 -44 33 o 14.851  6.5215  4.3677     45.233   83.704     98.019   -17.0996   50.987   23.646  9.9762  14.159  6.5027  9.486382       11.90840 
1 1 1 -16 -44 34 o 19.297  7.3482  49.788     47.672   30.890     101.765  55.101     53.959   20.968  9.4550  20.119  7.7779  0.8488865      12.24305 
1 1 1 -16 -44 35 o 34.494  6.9052  175.498    55.777   297.200    112.773  136.086    64.176   39.247  11.257  28.788  8.5587  10.45870       14.14129 
1 1 1 -16 -44 36 o 25.114  7.5280  97.809     49.498   101.688    101.955  96.613     56.619   24.678  10.277  24.609  8.1447  0.6935501E-01  13.11288 
1 1 1 -16 -44 37 o 19.907  8.2543  47.354     65.369   41.301     138.181  49.100     74.197   22.712  10.528  20.484  8.6630  2.228357       13.63414 
1 1 1 -16 -44 38 o 30.089  9.2372  156.811    73.909   183.190    151.304  148.544    84.702   28.361  12.194  28.459  9.9524  -0.9757614E-01 15.73958 
1 1 1 -16 -44 39 o 34.237  9.1479  199.660    77.442   225.663    159.000  191.574    88.670   29.964  12.677  32.098  10.159  -2.134314      16.24576 
1 1 1 -16 -44 40 o 15.833  6.9078  11.342     50.028   142.283    134.200  -9.7919    53.915   26.466  11.431  14.858  6.7717  11.60781       13.28631 
1 1 1 -16 -44 41 o 22.693  9.9868  71.287     106.577  71.287     106.577  0.0000     0.0000   22.693  9.9868  ?       ?       0.000000       9.986814 
1 1 1 -16 -44 42 o 28.547  11.277  175.514    115.458  175.514    115.458  0.0000     0.0000   28.547  11.277  ?       ?       0.000000       11.27684 
1 1 1 -16 -44 43 o 32.784  12.097  251.668    127.019  251.668    127.019  0.0000     0.0000   32.784  12.097  ?       ?       0.000000       12.09653 
1 1 1 -16 -44 44 o 27.182  9.2726  132.795    73.347   222.077    122.169  82.476     91.715   31.022  11.775  22.800  9.6365  8.221806       15.21565 
1 1 1 -16 -44 45 o 21.349  7.3791  70.297     46.497   67.927     118.825  70.725     50.526   22.543  10.186  21.362  7.6657  1.180990       12.74854 
1 1 1 -16 -44 46 o 15.201  6.5043  15.015     42.682   113.296    118.094  0.2469     45.777   24.572  10.668  14.399  6.4289  10.17287       12.45549 
1 1 1 -16 -44 47 o 24.249  7.5977  94.328     49.713   63.756     122.721  100.330    54.374   22.393  10.210  24.711  7.9698  -2.317425      12.95243 
1 1 1 -16 -44 48 o 48.068  5.7720  326.502    65.975   433.516    137.763  294.655    75.153   44.697  12.311  43.885  7.3152  0.8118210      14.32001 
1 1 1 -16 -44 49 o 14.531  6.4781  1.2975     46.297   50.553     111.445  -8.9757    50.896   21.537  9.7848  14.414  6.5732  7.123380       11.78769 
1 1 1 -16 -44 50 o 13.866  6.5242  -31.6228   56.402   -49.1487   130.481  -27.5956   62.547   19.125  9.2442  14.778  6.9269  4.346623       11.55153 
1 1 1 -16 -44 51 o 21.686  8.5698  73.014     66.704   75.281     134.636  72.276     76.792   23.149  10.607  21.799  8.9843  1.349434       13.90085 
1 1 1 -16 -44 52 o 15.579  7.2173  -16.5509   64.804   0.0000     0.0000   -16.5509   64.804   ?       ?       15.579  7.2173  0.000000       7.217337 
1 1 1 -16 -44 53 o 36.829  7.6037  211.883    65.696   0.0000     0.0000   211.883    65.696   ?       ?       36.829  7.6037  0.000000       7.603655 
1 1 1 -16 -44 54 o 40.077  7.9674  255.900    74.750   0.0000     0.0000   255.900    74.750   ?       ?       40.077  7.9674  0.000000       7.967407 
1 1 1 -16 -44 55 o 27.295  7.7887  121.529    54.122   148.928    116.968  114.065    61.050   26.272  10.980  25.790  8.4536  0.4811153      13.85691 
1 1 1 -16 -44 56 o 15.712  7.3637  -22.4931   70.641   75.404     186.693  -38.8512   76.315   23.391  11.245  15.561  7.4008  7.829687       13.46178 
1 1 1 -16 -44 57 o 27.823  10.109  159.328    88.205   243.201    207.879  140.912    97.409   26.911  12.619  25.855  10.312  1.055511       16.29621 
1 1 1 -16 -44 58 o 20.008  8.6467  55.782     76.874   248.753    199.799  22.251     83.286   26.636  12.452  18.435  8.4077  8.200998       15.02447 
1 1 1 -16 -43 1  o 27.649  10.285  161.052    92.198   0.0000     0.0000   161.052    92.198   ?       ?       27.649  10.285  0.000000       10.28520 
1 1 1 -16 -43 2  o 16.831  7.8995  -18.6148   81.799   0.0000     0.0000   -18.6148   81.799   ?       ?       16.831  7.8995  0.000000       7.899466 
1 1 1 -16 -43 3  o 28.993  13.296  288.104    212.093  0.0000     0.0000   288.104    212.093  ?       ?       28.993  13.296  0.000000       13.29577 
1 1 1 -16 -43 4  o 30.657  10.400  187.175    92.257   202.837    104.099  129.846    199.165  30.889  11.012  25.241  11.990  5.648008       16.27930 
1 1 1 -16 -43 5  f 19.028  8.5316  24.243     81.532   -25.5578   90.136   248.379    191.220  17.403  8.2066  28.869  12.995  -11.46565      15.36909 
1 1 1 -16 -43 6  o 24.882  9.8607  113.349    88.545   85.006     99.034   226.301    197.700  23.038  9.8838  28.049  12.853  -5.011312      16.21396 
1 1 1 -16 -43 7  o 19.582  8.5286  39.621     75.958   79.545     83.084   -163.6283  187.463  22.432  9.3039  19.556  9.7551  2.876650       13.48055 
1 1 1 -16 -43 8  o 43.258  10.419  347.946    108.063  285.944    125.359  527.292    213.204  35.178  12.119  38.516  15.289  -3.337486      19.50955 
1 1 1 -16 -43 9  o 20.943  8.9752  57.850     81.502   62.821     90.262   35.906     189.649  21.523  9.3355  23.081  11.154  -1.557686      14.54482 
1 1 1 -16 -43 10 o 14.629  6.6711  -8.7957    52.419   29.798     80.455   -37.2619   69.097   19.253  8.5645  15.067  7.1292  4.186056       11.14339 
1 1 1 -16 -43 11 f 14.811  6.7172  -5.6016    52.222   8.1097     75.164   -18.3962   72.608   17.761  8.0563  16.253  7.5672  1.507456       11.05293 
1 1 1 -16 -43 12 o 29.878  8.0537  145.356    59.712   170.573    93.432   127.946    77.636   29.306  10.434  26.499  9.5030  2.806606       14.11292 
1 1 1 -16 -43 13 o 29.431  7.7967  138.348    56.566   179.679    94.072   114.941    70.794   30.151  10.492  25.651  9.0877  4.499634       13.88023 
1 1 1 -16 -43 14 o 15.092  6.7383  1.0425     50.296   2.2713     82.462   0.3146     63.469   18.142  8.3088  16.445  7.4365  1.697039       11.15062 
1 1 1 -16 -43 15 o 22.558  8.1633  79.963     57.442   77.782     95.199   81.211     72.032   22.874  9.7486  22.717  8.9282  0.1573315      13.21924 
1 1 1 -16 -43 16 o 18.379  7.6398  35.849     56.201   171.994    96.512   -34.0041   69.131   29.743  10.603  15.387  7.2348  14.35567       12.83609 
1 1 1 -16 -43 17 o 23.579  6.7667  83.006     40.738   22.683     92.818   97.398     45.338   20.012  9.0263  25.330  7.0943  -5.318062      11.48058 
1 1 1 -16 -43 18 o 21.955  7.0827  71.925     42.942   79.922     89.668   69.546     48.916   23.203  9.6480  21.591  7.5625  1.612272       12.25873 
1 1 1 -16 -43 19 o 17.788  6.8009  39.380     40.940   -80.6318   86.982   73.532     46.401   15.616  7.5481  22.151  7.3752  -6.535363      10.55310 
1 1 1 -16 -43 20 o 12.474  5.6941  -14.3578   38.308   -62.5385   85.889   -2.3935    42.800   16.141  7.7244  14.045  6.2474  2.095711       9.934621 
1 1 1 -16 -43 21 o 14.289  6.1757  6.5712     39.217   44.047     86.010   -3.2651    44.064   21.054  9.1225  14.180  6.3210  6.874064       11.09844 
1 1 1 -16 -43 22 o 13.360  6.0037  -7.6916    40.623   -21.1709   87.979   -4.0392    45.797   17.982  8.3577  14.385  6.4259  3.596165       10.54248 
1 1 1 -16 -43 23 o 15.835  6.5897  19.261     41.879   -36.9813   88.405   35.534     47.554   17.415  8.1859  17.973  7.1925  -0.5580940     10.89687 
1 1 1 -16 -43 24 o 36.107  6.0095  181.722    50.800   263.558    97.158   150.932    59.594   39.158  10.144  31.406  7.8437  7.752268       12.82287 
1 1 1 -16 -43 25 o 17.509  6.8880  34.321     42.911   33.484     93.222   34.546     48.337   21.052  9.2986  17.980  7.2317  3.071310       11.77969 
1 1 1 -16 -43 26 o 30.425  6.8839  134.858    49.632   223.613    95.178   101.707    58.167   35.673  10.374  25.575  8.2425  10.09851       13.24967 
1 1 1 -16 -43 27 o 13.875  6.1271  -1.3461    40.451   -69.6602   86.046   18.035     45.832   16.085  7.7066  16.223  6.8319  -0.1380043     10.29891 
1 1 1 -16 -43 28 o 26.443  8.5641  110.422    62.736   152.049    94.989   78.216     83.552   29.253  10.509  23.478  9.4849  5.774456       14.15659 
1 1 1 -16 -43 29 o 23.201  8.7627  79.348     67.443   -305.0702  147.522  180.925    75.832   16.305  8.2052  33.372  9.1098  -17.06707      12.26020 
1 1 1 -16 -43 30 o 30.182  9.3911  151.352    76.102   20.897     147.621  198.570    88.813   23.261  10.816  33.958  10.062  -10.69666      14.77303 
1 1 1 -16 -43 31 o 16.607  7.5139  -6.9817    64.896   -47.6583   142.789  3.6081     72.856   20.991  10.022  17.993  8.0663  2.997465       12.86463 
1 1 1 -16 -43 32 f 17.811  7.2097  32.424     48.378   40.069     136.804  31.331     51.720   23.474  10.733  17.998  7.3903  5.475903       13.03117 
1 1 1 -16 -43 33 o 27.117  7.4930  110.791    50.941   240.237    97.750   62.529     59.686   37.020  10.434  21.379  8.2026  15.64121       13.27220 
1 1 1 -16 -43 34 o 28.107  7.1598  117.141    48.965   198.694    105.271  94.625     55.313   32.530  11.109  24.821  8.0418  7.709730       13.71398 
1 1 1 -16 -43 35 o 34.362  6.5432  168.522    52.562   61.745     104.133  205.027    60.888   23.060  10.015  37.662  6.9177  -14.60200      12.17168 
1 1 1 -16 -43 36 o 16.595  6.9612  20.932     47.284   87.984     96.789   -0.0863    54.190   24.324  10.061  15.763  7.0194  8.560790       12.26801 
1 1 1 -16 -43 37 o 18.455  7.2874  39.894     48.200   78.989     98.661   27.638     55.241   23.752  10.014  17.903  7.5180  5.848278       12.52220 
1 1 1 -16 -43 38 o 16.484  7.4538  -4.9998    63.752   -28.6112   137.719  1.4399     71.922   20.988  9.9699  17.648  7.9542  3.340229       12.75413 
1 1 1 -16 -43 39 o 22.397  8.7898  72.679     69.720   69.305     147.334  73.652     79.142   24.440  11.160  22.727  9.2137  1.713501       14.47226 
1 1 1 -16 -43 40 o 27.433  12.105  147.629    157.614  147.629    157.614  0.0000     0.0000   27.433  12.105  ?       ?       0.000000       12.10532 
1 1 1 -16 -43 41 o 25.822  11.708  109.381    158.507  109.381    158.507  0.0000     0.0000   25.822  11.708  ?       ?       0.000000       11.70753 
1 1 1 -16 -43 42 o 31.111  8.6771  159.107    67.974   117.759    122.546  177.482    81.693   25.770  11.024  31.721  9.7070  -5.951212      14.68828 
1 1 1 -16 -43 43 o 19.704  7.7585  51.210     54.489   151.071    112.892  20.880     62.216   27.643  11.075  17.766  7.7283  9.877222       13.50504 
1 1 1 -16 -43 44 o 14.337  6.3202  2.5708     42.862   130.976    113.336  -18.8589   46.300   26.259  10.877  13.342  6.1525  12.91736       12.49629 
1 1 1 -16 -43 45 o 28.354  8.3545  132.163    61.371   165.767    118.773  119.923    71.681   28.118  11.326  26.312  9.1581  1.805885       14.56575 
1 1 1 -16 -43 46 o 16.970  6.8462  31.660     43.466   120.133    115.252  16.990     46.931   25.409  10.774  15.942  6.8208  9.466602       12.75175 
1 1 1 -16 -43 47 o 14.966  6.4537  11.354     42.637   109.308    104.269  -8.3133    46.722   24.731  10.354  14.011  6.3541  10.71969       12.14800 
1 1 1 -16 -43 48 o 20.583  7.4205  63.127     47.399   172.051    100.482  31.953     53.756   29.130  10.757  17.760  7.4345  11.37013       13.07599 
1 1 1 -16 -43 49 o 23.136  7.5882  84.243     49.187   91.620     100.101  81.895     56.475   23.597  10.025  22.673  8.1078  0.9248028      12.89349 
1 1 1 -16 -43 50 o 30.880  7.4709  148.492    55.370   -51.7679   111.428  214.153    63.804   18.133  8.7095  37.534  7.2685  -19.40061      11.34400 
1 1 1 -16 -43 51 o 27.345  9.9130  139.790    84.758   0.0000     0.0000   139.790    84.758   ?       ?       27.345  9.9130  0.000000       9.912979 
1 1 1 -16 -43 52 o 17.887  8.0926  8.1399     75.266   0.0000     0.0000   8.1399     75.266   ?       ?       17.887  8.0926  0.000000       8.092607 
1 1 1 -16 -43 53 o 40.342  10.901  311.612    109.233  0.0000     0.0000   311.612    109.233  ?       ?       40.342  10.901  0.000000       10.90067 
1 1 1 -16 -43 54 o 25.360  7.8999  103.562    53.834   202.714    115.548  76.072     60.841   30.515  11.482  22.092  8.3279  8.423508       14.18415 
1 1 1 -16 -43 55 o 27.945  7.8745  125.724    55.681   122.496    116.364  126.682    63.413   25.358  10.792  27.369  8.5818  -2.011240      13.78807 
1 1 1 -16 -43 56 o 24.660  8.9649  105.177    69.392   111.590    116.282  101.630    86.477   24.623  10.638  24.070  9.6757  0.5533028      14.38003 
1 1 1 -16 -43 57 o 21.101  8.8826  63.339     77.426   185.852    200.714  41.922     83.921   26.534  12.428  20.024  8.8348  6.509556       15.24835 
1 1 1 -16 -43 58 f 21.068  9.0664  63.102     83.792   87.295     204.202  58.204     91.883   23.821  11.527  21.021  9.2609  2.800817       14.78634 
1 1 1 -16 -43 59 o 24.364  9.7632  116.460    87.750   528.680    229.555  45.917     94.962   34.252  14.872  20.242  9.1300  14.01053       17.45101 
1 1 1 -16 -42 1  o 26.756  10.158  138.522    90.934   0.0000     0.0000   138.522    90.934   ?       ?       26.756  10.158  0.000000       10.15822 
1 1 1 -16 -42 2  o 38.232  10.472  274.878    100.011  0.0000     0.0000   274.878    100.011  ?       ?       38.232  10.472  0.000000       10.47225 
1 1 1 -16 -42 3  o 21.382  8.1921  68.905     59.480   50.823     91.618   82.079     78.200   21.140  9.2824  22.774  9.1847  -1.634109      13.05842 
1 1 1 -16 -42 4  o 17.599  7.5091  26.789     56.598   4.8360     81.822   46.932     78.373   18.235  8.3230  20.352  8.7633  -2.117153      12.08584 
1 1 1 -16 -42 5  o 13.809  6.4901  -32.2630   55.531   -37.4294   75.171   -26.0566   82.391   15.771  7.4543  16.891  7.9278  -1.120003      10.88193 
1 1 1 -16 -42 6  o 19.660  8.2646  45.644     66.878   74.596     72.718   -113.1924  170.323  22.086  8.8745  19.872  9.8043  2.213940       13.22425 
1 1 1 -16 -42 7  o 33.291  10.386  211.951    93.005   238.787    104.772  112.202    201.995  34.341  11.062  25.339  12.048  9.002178       16.35559 
1 1 1 -16 -42 8  o 21.094  8.9728  57.541     80.368   39.702     89.296   133.607    184.395  20.435  9.0598  25.867  12.049  -5.432146      15.07470 
1 1 1 -16 -42 9  o 34.537  10.767  233.240    99.984   184.297    115.269  381.941    200.923  29.311  11.358  34.253  14.358  -4.942295      18.30741 
1 1 1 -16 -42 10 o 24.945  9.6992  108.788    84.283   137.563    94.147   -7.3439    189.138  26.956  10.312  22.706  11.013  4.250174       15.08722 
1 1 1 -16 -42 11 o 56.780  8.2371  504.829    110.172  587.719    138.496  361.986    181.809  58.053  10.205  35.360  14.093  22.69365       17.39941 
1 1 1 -16 -42 12 o 56.428  5.6980  440.539    76.947   502.970    130.826  407.520    95.143   53.365  10.478  51.617  7.8434  1.747223       13.08814 
1 1 1 -16 -42 13 o 19.833  7.6332  53.138     51.792   74.291     86.193   41.184     64.793   22.752  9.4598  19.480  8.1590  3.272659       12.49228 
1 1 1 -16 -42 14 f 26.347  8.0495  109.686    56.202   110.195    96.040   109.422    69.309   25.459  10.210  25.733  9.0026  -0.2747345     13.61198 
1 1 1 -16 -42 15 o 19.091  7.6553  43.071     53.990   27.352     93.361   50.970     66.178   20.549  9.1774  20.471  8.3773  0.7837105E-01  12.42588 
1 1 1 -16 -42 16 o 13.020  6.1482  -39.5389   50.921   30.865     86.048   -77.4815   63.170   20.377  8.9704  13.135  6.3695  7.242374       11.00175 
1 1 1 -16 -42 17 o 28.544  6.6551  118.079    45.244   154.752    90.542   105.874    52.233   29.528  10.292  26.334  7.6927  3.194416       12.84913 
1 1 1 -16 -42 18 o 34.086  5.9174  161.214    47.165   233.190    98.458   139.778    53.732   36.289  10.550  30.678  7.3205  5.611944       12.84135 
1 1 1 -16 -42 19 o 36.587  5.8089  184.091    49.844   249.986    102.419  163.640    57.057   37.580  10.711  33.384  7.2514  4.195896       12.93500 
1 1 1 -16 -42 20 o 31.291  6.3285  138.109    46.399   111.040    95.028   146.583    53.167   26.219  10.270  31.715  7.0874  -5.495975      12.47812 
1 1 1 -16 -42 21 o 15.813  6.4832  20.344     39.728   115.244    87.819   -4.0744    44.547   26.632  10.012  14.330  6.3738  12.30212       11.86872 
1 1 1 -16 -42 22 o 28.875  6.8156  120.101    46.985   134.971    93.510   115.079    54.343   28.257  10.386  27.649  7.7751  0.6078854      12.97415 
1 1 1 -16 -42 23 o 40.503  5.2709  219.338    50.573   191.518    97.927   229.456    59.058   33.044  10.700  40.783  6.1600  -7.739071      12.34607 
1 1 1 -16 -42 24 o 29.040  6.7805  120.852    46.910   94.485     94.757   129.412    53.991   25.304  10.144  29.589  7.5079  -4.285137      12.61985 
1 1 1 -16 -42 25 o 19.173  7.1039  46.644     43.898   120.737    91.123   24.252     50.094   27.302  10.211  17.394  7.2201  9.908113       12.50612 
1 1 1 -16 -42 26 f 23.076  7.2376  76.827     45.099   130.875    94.322   60.809     51.350   28.132  10.415  21.170  7.7095  6.961494       12.95814 
1 1 1 -16 -42 27 o 60.400  4.4676  471.985    65.010   412.892    117.426  498.103    78.065   50.884  9.8669  61.295  5.3011  -10.41072      11.20074 
1 1 1 -16 -42 28 o 28.385  6.9195  115.843    47.225   18.052     94.948   147.987    54.436   20.840  9.2850  31.996  7.1872  -11.15593      11.74167 
1 1 1 -16 -42 29 o 23.480  7.2896  79.739     45.882   75.229     90.750   81.288     53.179   23.981  9.8114  23.606  7.8963  0.3746128      12.59427 
1 1 1 -16 -42 30 o 26.886  9.2532  113.161    73.078   168.158    141.635  93.208     85.310   30.232  12.300  25.145  9.7633  5.086824       15.70405 
1 1 1 -16 -42 31 o 46.824  8.1678  324.636    89.424   531.443    161.856  233.775    107.284  53.760  12.624  36.376  11.123  17.38360       16.82478 
1 1 1 -16 -42 32 o 15.633  7.1147  -15.7459   59.248   -38.4902   129.810  -9.7611    66.588   20.945  9.8680  16.838  7.6154  4.106609       12.46479 
1 1 1 -16 -42 33 o 20.153  8.4220  38.357     68.820   55.838     135.596  32.292     79.872   24.636  11.027  20.535  8.8443  4.100737       14.13574 
1 1 1 -16 -42 34 o 33.155  6.6344  155.373    51.509   124.923    101.716  165.875    59.735   27.574  10.674  33.634  7.5096  -6.059671      13.05063 
1 1 1 -16 -42 35 o 42.533  5.5759  243.960    56.158   142.811    108.231  281.226    65.694   28.756  11.043  45.240  6.1435  -16.48401      12.63664 
1 1 1 -16 -42 36 o 18.106  7.2528  34.055     48.405   138.254    97.929   0.3658     55.683   28.495  10.600  16.142  7.1554  12.35310       12.78907 
1 1 1 -16 -42 37 o 23.752  7.6724  83.386     50.377   79.441     100.660  84.705     58.189   24.339  10.180  23.846  8.2541  0.4923306      13.10561 
1 1 1 -16 -42 38 o 28.205  7.6253  119.332    53.434   144.010    114.220  112.418    60.458   28.514  11.231  26.931  8.3689  1.583229       14.00646 
1 1 1 -16 -42 39 o 35.723  13.738  297.710    167.650  297.710    167.650  0.0000     0.0000   35.723  13.738  ?       ?       0.000000       13.73752 
1 1 1 -16 -42 40 o 29.757  12.698  181.158    161.874  181.158    161.874  0.0000     0.0000   29.757  12.698  ?       ?       0.000000       12.69783 
1 1 1 -16 -42 41 o 21.584  8.6756  60.405     69.517   -50.1345   142.759  94.764     79.591   20.876  9.9819  24.664  9.4700  -3.788364      13.75932 
1 1 1 -16 -42 42 o 17.388  7.1443  28.462     48.374   -45.0795   140.654  38.327     51.516   20.807  9.9375  18.570  7.4668  2.237247       12.43012 
1 1 1 -16 -42 43 o 14.998  6.4318  10.253     41.908   45.695     112.863  4.5847     45.135   22.483  10.062  14.948  6.5404  7.535704       12.00105 
1 1 1 -16 -42 44 o 21.574  7.2550  68.426     44.895   161.671    111.420  50.353     49.053   28.921  11.178  19.530  7.4498  9.390532       13.43284 
1 1 1 -16 -42 45 o 25.277  7.3310  97.263     47.589   124.726    102.811  89.774     53.687   26.407  10.573  24.029  7.9299  2.378189       13.21628 
1 1 1 -16 -42 46 o 50.420  5.1557  343.571    62.187   337.177    122.074  345.812    72.267   41.463  11.651  49.571  6.1395  -8.108841      13.16960 
1 1 1 -16 -42 47 o 51.880  5.0079  362.232    62.257   309.943    122.856  380.299    72.216   38.838  11.907  52.336  5.7835  -13.49796      13.23739 
1 1 1 -16 -42 48 o 23.337  7.5791  84.310     49.114   44.180     100.640  96.855     56.270   21.412  9.5480  24.603  8.1185  -3.191044      12.53293 
1 1 1 -16 -42 49 f 47.000  5.6240  306.056    62.863   377.346    121.593  280.050    73.439   44.477  11.257  43.270  7.2513  1.206917       13.39036 
1 1 1 -16 -42 50 o 23.147  8.2837  85.027     58.962   0.0000     0.0000   85.027     58.962   ?       ?       23.147  8.2837  0.000000       8.283662 
1 1 1 -16 -42 51 o 34.118  8.0629  184.587    65.690   0.0000     0.0000   184.587    65.690   ?       ?       34.118  8.0629  0.000000       8.062899 
1 1 1 -16 -42 52 f 26.404  9.7799  125.047    83.185   0.0000     0.0000   125.047    83.185   ?       ?       26.404  9.7799  0.000000       9.779914 
1 1 1 -16 -42 53 o 12.943  6.1803  -48.7916   54.336   -62.1220   121.141  -45.4343   60.794   18.668  8.9946  13.936  6.6211  4.732130       11.16881 
1 1 1 -16 -42 54 o 20.425  7.6642  59.681     51.414   104.530    101.219  44.087     59.687   24.759  10.269  19.316  7.9361  5.443064       12.97824 
1 1 1 -16 -42 55 o 16.485  6.9650  21.501     47.886   -11.9022   101.083  31.166     54.374   18.994  8.8716  17.869  7.4784  1.125221       11.60314 
1 1 1 -16 -42 56 o 42.994  6.0477  261.643    61.345   179.970    116.027  293.332    72.273   29.193  11.372  44.652  6.8926  -15.45811      13.29783 
1 1 1 -16 -42 57 o 22.226  9.1612  73.936     79.854   91.070     203.842  70.830     86.791   24.973  11.937  22.185  9.3752  2.788055       15.17863 
1 1 1 -16 -42 58 o 28.289  10.223  155.860    90.047   61.918     228.344  173.159    97.987   24.322  11.865  29.208  10.648  -4.885891      15.94236 
1 1 1 -16 -42 59 o 19.506  8.6654  34.786     82.093   -23.0491   222.192  43.929     88.344   22.445  11.097  20.292  9.0031  2.153145       14.28975 
1 1 1 -16 -41 1  o 23.575  9.3028  89.799     78.496   0.0000     0.0000   89.799     78.496   ?       ?       23.575  9.3028  0.000000       9.302809 
1 1 1 -16 -41 2  o 53.242  6.0455  398.876    76.715   431.536    115.449  373.052    102.657  50.258  9.8192  47.446  9.2495  2.812832       13.48964 
1 1 1 -16 -41 3  o 15.411  6.9044  -0.5181    53.295   -3.6262    76.145   2.4666     74.618   17.485  7.9993  17.666  8.0187  -0.1813183     11.32641 
1 1 1 -16 -41 4  o 16.688  7.2796  14.771     55.532   13.307     78.739   16.220     78.332   18.544  8.3436  18.671  8.3675  -0.1270103     11.81651 
1 1 1 -16 -41 5  o 41.605  7.3822  261.098    71.795   310.453    102.104  212.830    100.973  41.742  10.174  32.875  10.877  8.866486       14.89307 
1 1 1 -16 -41 6  o 20.277  8.0384  55.818     58.862   92.229     83.581   19.988     82.910   23.793  9.5306  19.202  8.6068  4.590969       12.84167 
1 1 1 -16 -41 7  o 15.742  7.0095  2.9616     54.028   81.744     77.598   -71.1631   75.269   22.976  9.1903  14.638  7.0618  8.338586       11.59010 
1 1 1 -16 -41 8  o 24.953  9.3103  104.522    75.659   104.392    83.605   105.108    177.811  24.860  9.6618  25.640  11.906  -0.7794762     15.33271 
1 1 1 -16 -41 9  o 35.144  10.248  223.187    92.767   229.948    105.841  200.779    192.680  34.320  11.125  28.844  13.008  5.476316       17.11620 
1 1 1 -16 -41 10 o 55.556  8.3415  477.669    108.971  495.988    136.655  445.677    180.589  52.477  11.080  41.587  14.533  10.88951       18.27480 
1 1 1 -16 -41 11 o 34.458  10.075  208.598    89.560   137.045    109.192  355.690    156.557  27.395  10.920  39.084  13.538  -11.68928      17.39382 
1 1 1 -16 -41 12 o 36.652  9.9297  229.778    90.499   163.974    111.382  357.610    155.243  29.394  11.223  39.766  13.491  -10.37218      17.54823 
1 1 1 -16 -41 13 f 17.154  7.8263  -10.6696   72.250   -1.9794    86.763   -30.3273   130.492  18.878  8.5986  20.773  9.8195  -1.895414      13.05210 
1 1 1 -16 -41 14 o 26.434  9.9110  114.378    85.942   134.572    106.726  77.130     144.948  27.791  10.884  25.292  11.355  2.499182       15.72924 
1 1 1 -16 -41 15 o 17.004  7.3158  14.903     54.536   95.716     90.068   -31.8759   68.526   25.113  9.9473  15.809  7.3573  9.303613       12.37252 
1 1 1 -16 -41 16 o 35.516  5.7310  172.138    47.707   218.348    97.087   157.429    54.776   35.553  10.517  33.023  7.0506  2.530140       12.66176 
1 1 1 -16 -41 17 o 23.133  6.9987  77.064     42.638   3.6216     86.682   100.506    48.972   19.425  8.7459  26.125  7.3930  -6.699629      11.45196 
1 1 1 -16 -41 18 o 18.862  6.7501  46.104     39.152   0.5698     84.208   58.662     44.222   19.122  8.6137  20.694  7.1938  -1.571825      11.22258 
1 1 1 -16 -41 19 o 16.578  6.6580  25.363     40.907   55.630     84.706   16.157     46.716   22.451  9.3598  16.361  6.8942  6.089838       11.62483 
1 1 1 -16 -41 20 o 28.227  6.6185  112.646    44.544   127.681    91.436   107.967    51.005   28.140  10.282  27.154  7.4956  0.9862709      12.72376 
1 1 1 -16 -41 21 o 13.610  6.0368  -5.2697    39.691   50.193     82.733   -21.8511   45.236   22.087  9.2327  13.343  6.1269  8.743856       11.08068 
1 1 1 -16 -41 22 o 18.928  6.8832  45.035     40.912   26.358     88.787   50.070     46.098   21.063  9.1958  19.846  7.2929  1.216532       11.73664 
1 1 1 -16 -41 23 o 15.927  6.5595  18.355     40.897   -45.6628   87.766   36.111     46.221   17.560  8.2227  18.323  7.1665  -0.7632923     10.90743 
1 1 1 -16 -41 24 o 12.710  5.7882  -16.8098   39.296   51.868     80.269   -38.4576   45.066   22.173  9.1665  12.377  5.8264  9.795972       10.86143 
1 1 1 -16 -41 25 o 47.834  4.8584  297.952    55.607   192.087    106.167  337.974    65.277   33.513  11.156  50.576  5.4029  -17.06326      12.39533 
1 1 1 -16 -41 26 o 14.026  6.1425  -1.1073    39.884   -28.8411   83.158   7.1784     45.453   17.861  8.2398  15.539  6.6820  2.322296       10.60865 
1 1 1 -16 -41 27 o 25.335  7.2545  91.888     46.869   77.121     90.708   97.266     54.743   24.546  9.8945  25.813  7.9540  -1.266609      12.69521 
1 1 1 -16 -41 28 o 39.065  5.7227  204.496    52.636   162.655    103.098  219.247    61.215   31.241  10.977  39.918  6.5471  -8.677607      12.78123 
1 1 1 -16 -41 29 o 42.568  5.4219  240.054    54.731   236.165    103.184  241.577    64.561   37.746  10.749  41.927  6.5614  -4.180813      12.59303 
1 1 1 -16 -41 30 o 27.499  7.1149  107.929    47.836   41.599     92.292   132.293    55.935   22.329  9.5595  30.189  7.6320  -7.859772      12.23242 
1 1 1 -16 -41 31 o 13.314  6.3622  -61.2584   57.820   -253.8641  129.040  -12.8738   64.676   16.160  8.0664  16.637  7.5167  -0.4772949     11.02571 
1 1 1 -16 -41 32 o 50.446  7.7558  363.470    91.893   486.702    162.495  305.530    111.421  51.783  12.963  43.222  10.685  8.560318       16.79879 
1 1 1 -16 -41 33 o 24.673  8.9358  87.394     68.848   73.084     138.873  92.057     79.276   26.108  11.447  25.301  9.5124  0.8073635      14.88336 
1 1 1 -16 -41 34 f 20.800  8.8997  31.968     79.907   0.0000     0.0000   31.968     79.907   ?       ?       20.800  8.8997  0.000000       8.899742 
1 1 1 -16 -41 35 o 25.364  7.7134  93.790     51.693   156.371    127.410  81.459     56.557   30.199  11.873  23.823  8.1424  6.376476       14.39642 
1 1 1 -16 -41 36 o 16.627  6.8908  20.012     45.523   21.802     94.753   19.475     51.906   21.227  9.3753  17.302  7.2776  3.924372       11.86848 
1 1 1 -16 -41 37 o 30.983  11.220  166.198    108.534  166.198    108.534  0.0000     0.0000   30.983  11.220  ?       ?       0.000000       11.21972 
1 1 1 -16 -41 38 o 39.407  11.695  278.768    119.909  278.768    119.909  0.0000     0.0000   39.407  11.695  ?       ?       0.000000       11.69513 
1 1 1 -16 -41 39 o 21.962  9.7700  26.946     104.713  26.946     104.713  0.0000     0.0000   21.962  9.7700  ?       ?       0.000000       9.770040 
1 1 1 -16 -41 40 o 32.693  9.1872  170.013    75.902   238.708    148.034  145.512    88.408   34.147  12.962  29.533  10.177  4.614130       16.47955 
1 1 1 -16 -41 41 o 30.672  8.3830  144.745    64.169   140.863    150.155  145.613    70.977   28.598  12.217  30.286  9.0001  -1.688461      15.17422 
1 1 1 -16 -41 42 o 15.500  7.0005  -10.0850   56.044   -78.2084   151.376  0.7359     60.331   20.957  10.087  16.686  7.4198  4.270937       12.52210 
1 1 1 -16 -41 43 o 24.046  7.2783  85.162     46.105   170.391    98.971   61.540     52.104   30.890  10.761  21.131  7.7551  9.759109       13.26398 
1 1 1 -16 -41 44 o 17.554  6.7780  35.684     40.937   9.4399     92.730   42.037     45.624   19.937  9.0045  18.613  7.1641  1.323973       11.50676 
1 1 1 -16 -41 45 o 28.271  6.9951  117.488    47.723   187.750    100.445  97.003     54.236   31.947  10.851  25.157  7.9435  6.790861       13.44810 
1 1 1 -16 -41 46 o 34.877  6.3326  172.266    51.617   89.962     109.105  195.998    58.589   24.670  10.473  36.863  6.8008  -12.19279      12.48755 
1 1 1 -16 -41 47 f 50.549  4.9696  341.070    60.166   398.936    119.688  321.502    69.599   47.771  10.602  47.989  6.1162  -0.2177925     12.24015 
1 1 1 -16 -41 48 o 31.757  6.7337  147.127    50.278   39.847     106.293  178.047    57.065   21.766  9.7515  34.792  7.0021  -13.02574      12.00501 
1 1 1 -16 -41 49 o 22.031  8.1451  72.381     57.646   0.0000     0.0000   72.381     57.646   ?       ?       22.031  8.1451  0.000000       8.145122 
1 1 1 -16 -41 50 o 28.165  8.3940  128.533    61.673   0.0000     0.0000   128.533    61.673   ?       ?       28.165  8.3940  0.000000       8.393964 
1 1 1 -16 -41 51 o 21.774  7.7373  71.021     51.355   57.722     102.660  75.459     59.309   22.311  9.8105  22.303  8.2585  0.7724762E-02  12.82376 
1 1 1 -16 -41 52 o 44.422  7.5066  296.582    78.029   356.927    118.421  250.281    103.730  43.692  11.137  36.289  10.902  7.403416       15.58508 
1 1 1 -16 -41 53 o 23.463  8.6175  86.888     64.353   215.717    111.112  21.861     78.941   32.593  11.399  19.166  8.5065  13.42733       14.22307 
1 1 1 -16 -41 54 f 29.193  9.0121  143.458    70.239   142.745    121.303  143.818    86.151   27.207  11.260  28.231  10.023  -1.023758      15.07426 
1 1 1 -16 -41 55 o 13.591  6.1825  -12.2413   44.666   82.694     88.625   -44.5653   51.714   23.434  9.6542  12.826  6.0975  10.60854       11.41859 
1 1 1 -16 -41 56 o 26.577  7.9944  111.831    55.751   30.639     106.128  142.777    65.520   21.205  9.6002  29.514  8.6141  -8.308222      12.89834 
1 1 1 -16 -41 57 o 37.222  6.5349  200.166    56.868   297.174    107.647  162.612    66.977   39.957  10.832  31.581  8.5367  8.376287       13.79119 
1 1 1 -16 -41 58 o 46.640  9.6307  369.758    105.377  -7.3750    249.087  451.968    116.297  24.153  11.905  51.715  9.6221  -27.56244      15.30748 
1 1 1 -16 -41 59 o 22.909  9.5000  82.224     86.604   147.584    225.223  70.883     93.818   26.284  12.559  22.348  9.6049  3.935946       15.81121 
1 1 1 -16 -41 60 o 29.949  10.409  178.900    92.592   -257.9670  239.332  255.797    100.411  20.184  10.193  36.030  10.704  -15.84669      14.78106 
1 1 1 -16 -40 1  o 16.774  7.6079  -3.4428    67.012   178.462    211.797  -23.6788   70.641   27.980  12.993  16.111  7.4886  11.86933       14.99623 
1 1 1 -16 -40 2  o 14.003  6.4375  -17.6879   50.143   -66.8561   74.803   22.436     67.574   14.788  7.1112  18.360  8.0189  -3.572002      10.71788 
1 1 1 -16 -40 3  o 25.856  8.0471  106.268    55.873   98.843     83.696   112.237    75.043   24.483  9.6235  25.726  9.3273  -1.242640      13.40191 
1 1 1 -16 -40 4  o 18.011  7.5813  29.779     56.397   32.947     79.394   26.551     80.126   19.847  8.6796  19.522  8.6219  0.3253822      12.23409 
1 1 1 -16 -40 5  o 12.471  5.9767  -52.7880   51.825   -67.0014   73.042   -38.3785   73.544   14.615  7.0279  15.780  7.4326  -1.164699      10.22912 
1 1 1 -16 -40 6  o 24.184  8.3432  92.133     59.428   49.923     86.982   129.085    81.384   21.372  9.2172  27.248  9.7341  -5.875389      13.40553 
1 1 1 -16 -40 7  o 31.989  8.1296  160.104    63.232   147.071    93.345   171.156    85.959   28.494  10.392  31.081  10.020  -2.587225      14.43587 
1 1 1 -16 -40 8  o 54.785  5.7646  411.185    75.480   456.800    114.210  375.812    100.574  53.602  9.1072  48.936  8.7934  4.665833       12.65959 
1 1 1 -16 -40 9  o 58.547  5.2312  458.591    73.530   583.930    113.032  366.635    96.816   63.155  7.5242  48.885  8.4691  14.27089       11.32871 
1 1 1 -16 -40 10 o 16.399  6.7866  21.619     44.068   74.550     75.390   -5.8533    54.313   23.058  9.1111  15.488  6.9523  7.570330       11.46063 
1 1 1 -16 -40 11 o 37.947  9.4542  232.798    86.729   275.355    105.080  141.856    153.610  39.934  10.649  28.395  12.247  11.53884       16.22971 
1 1 1 -16 -40 12 o 48.201  8.9717  358.245    101.068  308.638    128.244  439.556    164.188  40.462  12.115  46.185  13.680  -5.723461      18.27327 
1 1 1 -16 -40 13 o 33.857  10.193  192.315    90.599   193.456    112.104  190.167    153.832  32.639  11.448  31.241  12.777  1.398838       17.15522 
1 1 1 -16 -40 14 o 24.525  10.395  72.461     107.201  72.461     107.201  0.0000     0.0000   24.525  10.395  ?       ?       0.000000       10.39472 
1 1 1 -16 -40 15 o 25.352  7.9169  94.659     54.029   26.842     105.322  118.880    62.942   22.135  9.8251  27.970  8.5126  -5.834942      12.99985 
1 1 1 -16 -40 16 o 45.284  6.4656  281.603    69.026   530.684    126.348  175.633    82.411   59.383  9.0554  33.185  9.6538  26.19760       13.23614 
1 1 1 -16 -40 17 o 14.149  6.1100  3.2700     38.325   44.462     82.844   -7.9462    43.229   21.848  9.1922  14.011  6.2521  7.836699       11.11686 
1 1 1 -16 -40 18 o 27.630  6.7561  107.499    44.917   242.676    92.221   65.460     51.429   39.377  9.7126  21.970  7.7498  17.40735       12.42554 
1 1 1 -16 -40 19 o 14.781  6.2750  8.3728     39.170   -4.8553    81.925   12.293     44.597   18.969  8.5252  15.901  6.7201  3.067872       10.85536 
1 1 1 -16 -40 20 o 46.303  4.8856  278.476    54.060   307.850    102.112  267.036    63.724   44.773  9.6813  44.580  6.0472  0.1927605      11.41470 
1 1 1 -16 -40 21 o 13.289  5.9371  -9.3208    39.109   -30.6756   81.160   -2.8626    44.632   17.696  8.1553  14.682  6.4619  3.013957       10.40501 
1 1 1 -16 -40 22 o 26.146  6.8095  95.739     43.628   57.203     91.061   107.220    49.704   23.468  9.7374  27.450  7.3261  -3.981880      12.18562 
1 1 1 -16 -40 23 o 37.604  5.7436  188.505    50.744   319.384    97.539   139.937    59.418   46.509  8.9683  31.127  7.8643  15.38257       11.92799 
1 1 1 -16 -40 24 o 52.152  4.6733  349.709    58.510   352.089    107.785  348.714    69.669   48.395  9.5181  51.403  5.6807  -3.007980      11.08438 
1 1 1 -16 -40 25 o 17.500  6.8779  29.901     42.746   -7.9638    87.264   41.855     49.032   19.488  8.7745  19.368  7.4338  0.1196194      11.50010 
1 1 1 -16 -40 26 o 35.811  6.0602  172.592    50.781   116.524    97.255   193.607    59.542   28.090  10.541  37.529  6.7886  -9.439449      12.53774 
1 1 1 -16 -40 27 o 46.290  5.0084  278.017    55.356   267.077    102.813  282.483    65.690   41.318  10.293  46.020  6.0278  -4.702797      11.92839 
1 1 1 -16 -40 28 o 41.985  5.3713  231.339    53.465   249.510    98.718   223.797    63.601   40.022  10.150  40.470  6.7121  -0.4476433     12.16901 
1 1 1 -16 -40 29 o 46.219  5.0949  277.762    56.188   214.942    104.452  303.342    66.653   36.369  10.943  47.820  5.8675  -11.45142      12.41695 
1 1 1 -16 -40 30 o 49.440  4.9527  316.371    58.615   257.140    108.093  341.042    69.762   39.946  10.865  50.805  5.7610  -10.85861      12.29755 
1 1 1 -16 -40 31 o 51.033  4.9694  337.150    60.754   38.391     109.370  470.480    73.064   23.580  10.252  60.297  5.0401  -36.71641      11.42398 
1 1 1 -16 -40 32 o 55.565  7.3895  428.041    97.157   630.196    174.258  336.854    117.036  61.804  12.053  46.155  10.665  15.64935       16.09387 
1 1 1 -16 -40 33 o 36.083  9.0961  195.891    79.615   76.801     145.598  246.688    95.091   27.114  11.808  39.954  9.8673  -12.83978      15.38833 
1 1 1 -16 -40 34 f 21.205  8.6450  44.297     70.146   122.838    134.245  14.801     82.270   29.022  11.910  20.213  8.8376  8.809086       14.83109 
1 1 1 -16 -40 35 o 27.155  9.2748  109.454    73.383   -176.6868  138.406  221.346    86.549   18.562  9.0941  38.067  9.4211  -19.50486      13.09427 
1 1 1 -16 -40 36 o 30.958  10.831  155.114    100.315  155.114    100.315  0.0000     0.0000   30.958  10.831  ?       ?       0.000000       10.83067 
1 1 1 -16 -40 37 o 24.450  10.273  64.828     103.248  64.828     103.248  0.0000     0.0000   24.450  10.273  ?       ?       0.000000       10.27302 
1 1 1 -16 -40 38 o 25.437  10.427  82.429     102.744  82.429     102.744  0.0000     0.0000   25.437  10.427  ?       ?       0.000000       10.42718 
1 1 1 -16 -40 39 o 18.053  7.3495  28.729     50.605   52.002     104.731  21.640     57.801   23.636  10.153  18.180  7.6650  5.456448       12.72145 
1 1 1 -16 -40 40 o 52.110  4.7432  352.333    59.317   261.129    117.947  383.210    68.627   38.557  11.635  53.925  5.3140  -15.36824      12.79089 
1 1 1 -16 -40 41 o 32.508  8.3933  159.202    66.661   286.830    152.990  129.293    74.061   37.749  13.361  28.760  9.3040  8.988239       16.28132 
1 1 1 -16 -40 42 o 32.498  8.8192  163.110    71.318   226.983    168.501  149.171    78.716   33.301  13.464  30.522  9.5600  2.779633       16.51274 
1 1 1 -16 -40 43 o 39.078  8.3091  228.744    76.361   415.104    165.688  178.485    86.044   44.912  13.838  32.929  9.9377  11.98319       17.03632 
1 1 1 -16 -40 44 o 41.654  5.3298  231.766    52.633   180.642    106.264  248.385    60.587   31.823  11.146  42.621  6.0266  -10.79805      12.67131 
1 1 1 -16 -40 45 o 39.005  5.8336  207.686    53.515   98.252     110.071  241.561    61.240   25.797  10.705  41.802  6.2279  -16.00499      12.38471 
1 1 1 -16 -40 46 o 24.518  7.1955  88.340     45.605   153.391    100.082  71.293     51.233   29.490  10.759  22.241  7.7424  7.248672       13.25557 
1 1 1 -16 -40 47 o 57.013  4.6656  426.013    63.978   525.066    124.916  390.790    74.489   57.729  9.2288  53.506  5.8320  4.222713       10.91709 
1 1 1 -16 -40 48 o 44.379  6.0310  272.657    63.261   0.0000     0.0000   272.657    63.261   ?       ?       44.379  6.0310  0.000000       6.031034 
1 1 1 -16 -40 49 f 27.603  7.3911  114.823    50.490   0.0000     0.0000   114.823    50.490   ?       ?       27.603  7.3911  0.000000       7.391087 
1 1 1 -16 -40 50 o 21.136  7.6567  64.034     50.552   60.331     114.875  64.923     56.297   23.211  10.284  21.371  8.0198  1.840343       13.04124 
1 1 1 -16 -40 51 o 15.382  6.6287  10.650     44.918   133.686    83.620   -39.2509   53.253   27.682  9.8693  13.343  6.2967  14.33866       11.70691 
1 1 1 -16 -40 52 o 19.112  7.3028  47.420     47.186   100.093    90.970   28.032     55.191   24.830  9.9441  17.859  7.5077  6.971682       12.45996 
1 1 1 -16 -40 53 o 22.823  8.4565  79.018     62.206   63.833     103.648  87.567     77.769   22.867  9.9609  23.749  9.2939  -0.8812008     13.62336 
1 1 1 -16 -40 54 o 19.945  8.1104  47.813     61.534   142.383    107.965  2.3124     74.888   27.671  10.913  17.910  8.0904  9.761227       13.58486 
1 1 1 -16 -40 55 o 15.470  6.7797  5.9321     48.667   -116.4121  106.305  38.374     54.741   16.436  8.0349  18.722  7.6354  -2.285330      11.08418 
1 1 1 -16 -40 56 o 10.402  5.1133  -78.3351   44.922   -70.1509   85.085   -81.4982   52.896   15.848  7.6118  11.544  5.6483  4.304984       9.478512 
1 1 1 -16 -40 57 o 15.471  6.7543  7.3093     47.897   9.0723     95.198   6.7118     55.422   19.778  9.0078  16.289  7.1837  3.488222       11.52154 
1 1 1 -16 -40 58 o 21.413  9.3479  47.288     91.731   -193.1507  223.020  96.247     100.637  21.321  10.637  24.565  10.218  -3.243603      14.74956 
1 1 1 -16 -40 59 o 24.309  9.8096  96.798     89.262   255.383    231.257  69.035     96.760   29.682  13.710  22.678  9.7506  7.003956       16.82358 
1 1 1 -16 -40 60 o 31.365  10.546  190.395    94.868   194.264    241.795  189.691    103.138  27.520  13.112  30.636  10.957  -3.115967      17.08710 
1 1 1 -16 -39 1  o 15.274  7.2621  -51.6524   73.383   -26.5778   196.475  -55.7175   79.109   23.233  11.258  15.724  7.4939  7.509109       13.52447 
1 1 1 -16 -39 2  o 16.051  7.5331  -35.4781   74.364   0.0000     0.0000   -35.4781   74.364   ?       ?       16.051  7.5331  0.000000       7.533103 
1 1 1 -16 -39 3  o 14.542  6.8722  -43.3891   63.832   -71.5804   223.030  -40.8739   66.618   23.304  11.443  14.985  7.0630  8.318857       13.44720 
1 1 1 -16 -39 4  o 27.134  9.5101  124.112    77.360   244.434    226.564  108.233    82.307   30.530  13.902  25.611  9.6785  4.919729       16.93913 
1 1 1 -16 -39 5  o 34.509  7.7700  180.205    63.494   127.477    92.455   227.273    87.351   27.181  10.261  36.832  9.6561  -9.651255      14.09015 
1 1 1 -16 -39 6  o 16.680  7.0944  17.488     50.233   75.137     75.442   -28.4265   67.328   23.044  9.1116  15.766  7.3225  7.278335       11.68929 
1 1 1 -16 -39 7  o 28.892  8.0876  128.067    58.940   120.370    89.009   134.077    78.655   27.000  10.094  28.476  9.6028  -1.476442      13.93175 
1 1 1 -16 -39 8  o 21.915  7.7836  67.840     51.964   55.204     90.189   74.120     63.578   22.485  9.5326  22.853  8.5331  -0.3680458     12.79388 
1 1 1 -16 -39 9  o 25.973  7.7690  100.433    52.760   120.579    85.499   88.044     67.047   27.375  9.9513  24.380  8.8200  2.994654       13.29738 
1 1 1 -16 -39 10 o 53.161  5.2903  374.271    67.334   499.147    110.856  301.265    84.761   58.519  8.0181  45.345  7.9959  13.17345       11.32361 
1 1 1 -16 -39 11 o 24.026  7.7245  83.568     51.109   132.944    90.909   60.749     61.801   28.679  10.283  21.766  8.3478  6.912426       13.24518 
1 1 1 -16 -39 12 o 35.416  7.5801  180.994    63.172   149.379    98.431   203.135    82.375   30.092  10.710  36.105  9.3343  -6.013292      14.20673 
1 1 1 -16 -39 13 o 49.674  5.8943  330.566    69.658   415.591    129.430  295.897    82.648   50.585  10.869  45.470  7.7701  5.114567       13.36080 
1 1 1 -16 -39 14 o 25.844  7.8722  96.774     53.812   51.477     103.804  113.420    62.928   23.682  10.139  27.619  8.5308  -3.936886      13.25008 
1 1 1 -16 -39 15 o 12.376  5.8106  -37.1525   44.323   -3.7045    92.245   -47.1925   50.539   20.043  9.0233  12.888  6.0980  7.154860       10.89062 
1 1 1 -16 -39 16 o 25.272  8.1502  91.457     56.864   56.061     106.679  105.506    67.209   24.292  10.335  26.812  8.8737  -2.520679      13.62222 
1 1 1 -16 -39 17 o 19.336  7.5932  39.009     52.061   9.4663     103.794  48.940     60.178   21.752  9.6983  20.922  8.1788  0.8304310      12.68664 
1 1 1 -16 -39 18 f 44.836  6.5157  271.804    68.809   375.435    122.999  224.599    83.014   48.992  10.651  38.943  8.9702  10.04849       13.92494 
1 1 1 -16 -39 19 o 20.635  6.9949  55.868     41.736   121.575    83.262   33.818     48.233   28.563  9.8743  18.519  7.2971  10.04404       12.27805 
1 1 1 -16 -39 20 o 11.697  5.4352  -27.5241   37.168   -67.3580   77.691   -15.7014   42.325   15.891  7.5308  13.440  6.0756  2.450997       9.676061 
1 1 1 -16 -39 21 o 23.891  6.9687  78.858     42.892   43.296     87.434   90.128     49.221   22.611  9.4745  25.354  7.4851  -2.743904      12.07450 
1 1 1 -16 -39 22 o 27.496  6.8902  104.804    45.876   158.609    88.896   85.273     53.560   32.140  10.172  24.730  7.9030  7.410471       12.88129 
1 1 1 -16 -39 23 o 44.502  5.0766  256.311    53.836   115.574    99.135   315.174    64.113   28.393  10.645  49.163  5.4672  -20.76949      11.96668 
1 1 1 -16 -39 24 o 17.937  6.8684  33.729     41.796   -61.4765   84.880   64.204     48.022   17.025  8.0086  22.033  7.5030  -5.007942      10.97416 
1 1 1 -16 -39 25 o 16.034  6.6089  16.182     41.558   -30.8308   84.636   31.118     47.705   18.319  8.4002  18.269  7.2385  0.5020332E-01  11.08873 
1 1 1 -16 -39 26 o 26.970  6.9561  100.750    45.818   120.440    89.256   93.705     53.389   28.719  10.201  25.832  7.8352  2.886820       12.86276 
1 1 1 -16 -39 27 o 42.418  5.2297  233.701    52.686   279.477    96.538   214.283    62.876   43.534  9.4132  39.749  6.7612  3.784988       11.58977 
1 1 1 -16 -39 28 o 46.818  4.9704  282.391    55.600   215.342    101.058  311.497    66.584   37.125  10.659  48.739  5.7403  -11.61414      12.10619 
1 1 1 -16 -39 29 o 28.894  6.9151  115.351    47.834   45.013     90.969   142.231    56.236   23.074  9.6663  31.900  7.4075  -8.825720      12.17817 
1 1 1 -16 -39 30 o 15.973  6.6808  12.936     43.357   51.382     85.348   -0.4364    50.335   23.108  9.4916  15.843  6.9201  7.265810       11.74642 
1 1 1 -16 -39 31 o 27.922  7.2952  109.036    49.970   133.917    91.865   98.581     59.551   29.894  10.370  26.374  8.3232  3.520102       13.29691 
1 1 1 -16 -39 32 o 38.207  5.8806  193.570    52.768   212.545    100.154  186.279    62.084   36.845  10.620  36.708  7.2276  0.1371346      12.84647 
1 1 1 -16 -39 33 o 27.632  8.5323  109.915    62.955   87.370     92.059   129.721    86.285   26.025  10.132  29.477  10.057  -3.452349      14.27594 
1 1 1 -16 -39 34 o 28.433  9.3299  118.657    74.354   9.0519     137.613  163.848    88.363   24.291  10.971  32.652  10.113  -8.360310      14.92051 
1 1 1 -16 -39 35 o 20.976  9.8060  -53.6939   123.934  -53.6939   123.934  0.0000     0.0000   20.976  9.8060  ?       ?       0.000000       9.805972 
1 1 1 -16 -39 36 o 22.859  10.449  -11.8790   129.573  -11.8790   129.573  0.0000     0.0000   22.859  10.449  ?       ?       0.000000       10.44916 
1 1 1 -16 -39 37 o 69.295  7.9347  671.807    131.007  671.807    131.007  0.0000     0.0000   69.295  7.9347  ?       ?       0.000000       7.934728 
1 1 1 -16 -39 38 o 21.065  7.6418  56.246     50.381   -90.9216   99.808   106.567    58.363   17.447  8.3435  27.151  8.1823  -9.704086      11.68606 
1 1 1 -16 -39 39 o 16.742  6.6456  25.537     40.277   -4.7124    84.361   34.468     45.838   19.361  8.6797  18.293  7.1417  1.068436       11.24011 
1 1 1 -16 -39 40 o 19.141  6.9362  45.183     41.491   -88.7119   93.396   78.106     46.312   16.778  8.0359  23.601  7.3231  -6.823727      10.87211 
1 1 1 -16 -39 41 o 22.759  7.1828  72.196     44.350   84.405     95.057   68.799     50.141   25.399  10.167  22.404  7.6666  2.994951       12.73396 
1 1 1 -16 -39 42 f 53.485  6.8734  394.195    87.136   301.621    177.397  423.633    100.035  38.071  14.246  54.607  7.7689  -16.53661      16.22668 
1 1 1 -16 -39 43 f 37.401  8.0890  204.919    71.271   97.316     162.945  230.374    79.254   27.892  12.308  39.329  8.5490  -11.43702      14.98593 
1 1 1 -16 -39 44 o 20.644  8.2993  46.487     63.633   53.837     152.332  44.934     70.036   25.686  11.577  20.959  8.6022  4.726675       14.42270 
1 1 1 -16 -39 45 o 48.978  5.0529  315.256    59.187   383.867    114.529  290.255    69.134   49.239  9.9289  45.984  6.3670  3.254704       11.79498 
1 1 1 -16 -39 46 o 19.705  7.1136  50.765     43.581   110.592    108.096  39.153     47.623   26.823  10.805  18.653  7.2802  8.169895       13.02901 
1 1 1 -16 -39 47 o 12.778  5.8565  -19.0441   41.071   0.0000     0.0000   -19.0441   41.071   ?       ?       12.778  5.8565  0.000000       5.856504 
1 1 1 -16 -39 48 o 18.079  7.0047  37.555     43.840   0.0000     0.0000   37.555     43.840   ?       ?       18.079  7.0047  0.000000       7.004713 
1 1 1 -16 -39 49 o 15.580  6.4401  18.381     39.615   -2.2291    108.730  21.536     42.539   20.583  9.4686  16.236  6.6886  4.346706       11.59280 
1 1 1 -16 -39 50 o 33.702  8.0063  173.231    64.501   88.054     88.749   268.591    93.905   24.350  9.7971  40.331  9.7119  -15.98104      13.79509 
1 1 1 -16 -39 51 o 30.192  8.5182  144.603    65.116   156.540    99.568   135.682    86.075   29.370  10.729  28.084  10.013  1.285257       14.67582 
1 1 1 -16 -39 52 o 16.229  6.8983  16.467     47.440   -64.8812   88.521   49.245     56.191   16.437  7.8596  19.898  7.8649  -3.461344      11.11885 
1 1 1 -16 -39 53 o 20.722  7.4377  60.641     47.568   168.958    86.386   13.508     56.985   31.026  10.050  17.004  7.3965  14.02151       12.47810 
1 1 1 -16 -39 54 f 19.897  8.0803  46.376     60.980   99.754     106.780  20.542     74.286   25.197  10.507  18.997  8.3495  6.199862       13.42056 
1 1 1 -16 -39 55 f 28.575  8.9687  133.741    69.241   71.430     120.019  164.827    84.771   24.020  10.583  30.755  9.9545  -6.735085      14.52911 
1 1 1 -16 -39 56 o 31.236  7.5245  146.727    56.352   277.063    108.954  99.129     65.843   38.970  11.027  25.051  8.7740  13.91934       14.09170 
1 1 1 -16 -39 57 o 17.181  7.1371  25.438     49.004   -24.8661   95.232   43.555     57.152   18.508  8.6333  19.447  7.8487  -0.9391975     11.66774 
1 1 1 -16 -39 58 o 13.772  6.2893  -15.4636   46.796   -27.1021   88.879   -10.9998   55.043   17.852  8.3319  15.161  6.8836  2.691808       10.80760 
1 1 1 -16 -39 59 o 17.057  7.9592  -27.7703   81.047   -80.7088   221.332  -19.5729   87.096   23.101  11.355  17.938  8.3304  5.163004       14.08273 
1 1 1 -16 -39 60 o 16.419  7.7554  -41.2309   81.130   57.405     225.145  -55.9499   86.973   25.353  12.227  16.421  7.8348  8.931911       14.52180 
1 1 1 -16 -39 61 o 28.686  10.441  157.331    94.158   229.738    244.985  144.781    101.992  28.473  13.458  27.394  10.665  1.078936       17.17093 
1 1 1 -16 -38 1  o 27.274  9.8664  126.733    83.900   409.969    198.331  64.999     92.593   38.683  14.924  22.772  9.6566  15.91150       17.77545 
1 1 1 -16 -38 2  o 21.287  9.0226  48.845     80.775   0.0000     0.0000   48.845     80.775   ?       ?       21.287  9.0226  0.000000       9.022641 
1 1 1 -16 -38 3  o 20.280  8.7784  32.952     79.482   309.839    226.329  -5.9995    84.889   33.481  14.648  18.586  8.4811  14.89473       16.92612 
1 1 1 -16 -38 4  o 21.291  9.3073  35.632     91.210   0.0000     0.0000   35.632     91.210   ?       ?       21.291  9.3073  0.000000       9.307293 
1 1 1 -16 -38 5  o 36.215  9.0909  207.313    79.764   138.103    231.160  216.667    84.983   29.088  13.529  36.647  9.4841  -7.558975      16.52231 
1 1 1 -16 -38 6  o 33.897  8.7716  178.085    72.698   372.580    268.022  162.639    75.529   35.890  15.814  31.967  9.2254  3.922798       18.30835 
1 1 1 -16 -38 7  o 16.136  6.7834  15.610     45.055   -59.7363   77.472   54.120     55.385   15.823  7.5051  20.750  7.9158  -4.926423      10.90805 
1 1 1 -16 -38 8  o 43.453  5.6765  252.907    58.420   258.675    93.896   249.265    74.622   40.516  9.6831  41.609  7.6740  -1.093418      12.35524 
1 1 1 -16 -38 9  o 54.952  4.9929  393.709    65.847   508.096    108.413  326.848    82.886   59.884  7.6348  48.201  7.3169  11.68319       10.57486 
1 1 1 -16 -38 10 o 40.687  6.0945  223.661    58.316   274.681    98.302   195.957    72.439   41.986  9.8237  36.445  8.3683  5.541203       12.90477 
1 1 1 -16 -38 11 o 60.915  5.7989  491.522    84.676   464.038    120.680  518.174    118.841  55.840  9.2294  59.966  8.3980  -4.125938      12.47829 
1 1 1 -16 -38 12 o 29.161  6.5815  117.646    45.462   195.927    95.640   94.795     51.674   35.006  10.458  25.772  7.6840  9.234055       12.97707 
1 1 1 -16 -38 13 o 32.017  6.1968  139.043    46.401   179.588    110.518  130.367    51.125   33.115  11.380  30.542  7.0428  2.573114       13.38333 
1 1 1 -16 -38 14 o 59.667  4.2714  451.789    61.431   398.567    114.744  473.174    72.733   51.892  9.4617  60.590  4.9917  -8.698269      10.69771 
1 1 1 -16 -38 15 o 43.359  6.6615  254.326    67.841   327.983    121.272  220.776    81.846   45.489  11.088  38.834  8.8793  6.654816       14.20523 
1 1 1 -16 -38 16 o 19.908  7.6202  43.828     51.435   31.807     101.899  47.938     59.582   23.030  9.9541  20.953  8.1528  2.077501       12.86671 
1 1 1 -16 -38 17 o 28.164  8.1250  113.095    58.595   161.452    104.973  91.209     70.621   32.209  11.090  25.726  9.0807  6.483181       14.33336 
1 1 1 -16 -38 18 o 24.780  8.0816  84.761     55.821   -75.0636   108.466  142.342    65.105   19.047  8.9879  31.468  8.3780  -12.42122      12.28715 
1 1 1 -16 -38 19 o 39.036  7.1663  208.587    65.377   178.930    118.682  221.507    78.333   33.591  11.779  39.430  8.4423  -5.838722      14.49193 
1 1 1 -16 -38 20 o 15.320  6.3992  11.158     39.704   -19.9243   81.226   20.917     45.512   18.566  8.4026  17.065  6.9611  1.501293       10.91152 
1 1 1 -16 -38 21 o 83.476  4.0012  872.088    81.043   858.889    136.977  879.197    100.526  80.000  7.1313  82.964  5.0173  -2.964607      8.719483 
1 1 1 -16 -38 22 o 38.590  5.5785  194.771    50.718   257.022    93.973   169.185    60.246   41.897  9.4668  35.042  7.3216  6.855907       11.96776 
1 1 1 -16 -38 23 o 74.508  4.1278  697.608    74.334   736.057    126.683  677.419    91.799   74.084  7.1356  72.658  5.2423  1.426369       8.854296 
1 1 1 -16 -38 24 o 14.262  6.2066  -1.4652    40.161   10.536     79.065   -5.6383    46.623   20.088  8.7251  14.971  6.5963  5.116248       10.93796 
1 1 1 -16 -38 25 o 25.239  7.2731  87.606     46.976   52.975     89.816   100.647    55.116   23.747  9.7434  26.845  7.9194  -3.097998      12.55590 
1 1 1 -16 -38 26 o 48.294  5.0086  299.155    57.838   213.598    104.522  336.915    69.437   37.198  10.887  50.873  5.7248  -13.67474      12.30003 
1 1 1 -16 -38 27 o 96.590  4.0723  1167.63    95.441   1087.29    155.083  1216.61    121.088  90.183  7.1457  97.608  5.1307  -7.425110      8.796929 
1 1 1 -16 -38 28 o 50.728  4.8323  328.588    58.760   350.405    103.601  318.241    71.345   49.651  8.9277  49.205  6.1070  0.4460030      10.81659 
1 1 1 -16 -38 29 o 42.051  5.4843  229.905    54.625   66.925     99.868   299.483    65.252   25.312  10.317  47.934  5.7234  -22.62275      11.79812 
1 1 1 -16 -38 30 o 34.809  6.2521  161.715    50.865   112.081    95.121   181.592    60.194   28.410  10.471  36.516  7.0491  -8.105179      12.62228 
1 1 1 -16 -38 31 o 73.844  4.2388  686.426    75.630   785.546    129.417  635.019    93.201   76.667  7.0355  70.140  5.5209  6.526222       8.943090 
1 1 1 -16 -38 32 o 42.036  5.6460  230.819    56.131   427.752    103.357  148.442    66.847   55.791  7.8524  32.226  8.4464  23.56480       11.53267 
1 1 1 -16 -38 33 o 78.275  4.2579  771.695    80.565   826.945    137.540  742.837    99.403   78.320  7.3226  75.928  5.4313  2.391273       9.116984 
1 1 1 -16 -38 34 o 14.517  7.0948  -130.7755  82.734   -130.7755  82.734   0.0000     0.0000   14.517  7.0948  ?       ?       0.000000       7.094815 
1 1 1 -16 -38 35 o 22.768  10.368  -16.4627   126.048  -16.4627   126.048  0.0000     0.0000   22.768  10.368  ?       ?       0.000000       10.36800 
1 1 1 -16 -38 36 o 22.025  10.154  -34.7133   125.974  -34.7133   125.974  0.0000     0.0000   22.025  10.154  ?       ?       0.000000       10.15410 
1 1 1 -16 -38 37 o 24.483  9.1729  76.667     73.592   45.719     136.336  89.392     87.422   25.958  11.362  26.128  9.9504  -0.1691608     15.10348 
1 1 1 -16 -38 38 o 10.909  5.0561  -23.4792   31.848   -219.6908  90.421   4.3098     34.028   13.282  6.6481  13.696  5.8326  -0.4138441     8.843993 
1 1 1 -16 -38 39 o 35.350  5.8996  166.375    48.819   231.796    95.312   143.106    56.842   38.960  10.024  31.924  7.4706  7.036448       12.50189 
1 1 1 -16 -38 40 o 58.339  4.4956  433.712    63.146   424.004    117.152  437.688    74.969   53.765  9.3178  58.013  5.3874  -4.247444      10.76320 
1 1 1 -16 -38 41 o 19.037  6.9437  43.583     41.679   59.481     89.263   39.151     47.132   23.715  9.7199  18.967  7.2863  4.747959       12.14768 
1 1 1 -16 -38 42 o 36.532  6.0146  179.208    51.458   212.483    103.938  168.404    59.226   36.152  10.925  34.649  7.2763  1.503674       13.12622 
1 1 1 -16 -38 43 o 46.311  7.7679  303.393    84.196   377.191    186.388  284.474    94.373   42.822  14.776  43.574  9.2139  -0.7521324     17.41299 
1 1 1 -16 -38 44 o 48.726  7.1983  330.254    82.543   388.639    179.932  314.693    92.894   43.642  14.523  46.362  8.5735  -2.720741      16.86484 
1 1 1 -16 -38 45 o 51.454  7.9777  379.715    96.377   0.0000     0.0000   379.715    96.377   ?       ?       51.454  7.9777  0.000000       7.977719 
1 1 1 -16 -38 46 o 30.620  7.0166  133.143    51.014   0.0000     0.0000   133.143    51.014   ?       ?       30.620  7.0166  0.000000       7.016580 
1 1 1 -16 -38 47 o 19.615  7.1504  49.119     44.188   0.0000     0.0000   49.119     44.188   ?       ?       19.615  7.1504  0.000000       7.150414 
1 1 1 -16 -38 48 o 18.416  6.7925  41.879     40.043   -172.8546  112.021  73.337     42.876   16.080  7.9368  22.696  7.0469  -6.616364      10.61375 
1 1 1 -16 -38 49 o 24.396  6.7275  85.197     41.112   190.536    78.927   45.975     48.161   34.644  9.2251  19.381  7.3844  15.26266       11.81659 
1 1 1 -16 -38 50 o 17.978  6.6259  40.225     38.092   7.3771     75.464   51.456     44.126   18.618  8.2876  19.722  7.1521  -1.103888      10.94699 
1 1 1 -16 -38 51 o 18.730  7.2369  41.928     46.694   123.248    87.108   9.1394     55.313   27.288  10.025  16.662  7.2667  10.62572       12.38199 
1 1 1 -16 -38 52 o 37.687  6.3327  198.995    55.855   202.398    104.151  197.621    66.176   33.207  11.049  36.389  7.7333  -3.182648      13.48661 
1 1 1 -16 -38 53 o 17.415  7.2465  25.589     50.639   102.400    94.383   -5.4593    60.007   25.473  10.153  16.171  7.2791  9.301970       12.49306 
1 1 1 -16 -38 54 o 30.580  8.8936  150.790    69.952   255.336    120.066  97.069     86.068   36.152  11.856  24.963  9.7750  11.18953       15.36565 
1 1 1 -16 -38 55 f 40.039  8.3811  246.540    78.810   370.187    133.422  180.279    97.670   44.001  12.114  31.575  10.701  12.42579       16.16293 
1 1 1 -16 -38 56 o 13.274  6.1722  -27.8246   48.059   231.913    110.883  -87.9016   53.328   35.087  11.388  11.448  5.6160  23.63869       12.69715 
1 1 1 -16 -38 57 o 23.982  8.1401  86.895     56.522   82.955     119.801  88.023     64.105   24.869  10.771  24.070  8.6349  0.7987270      13.80487 
1 1 1 -16 -38 58 o 14.172  6.5104  -20.1299   51.156   7.1406     109.456  -27.7512   57.864   20.918  9.5775  14.654  6.8000  6.264041       11.74597 
1 1 1 -16 -38 59 o 18.024  8.2933  -14.1126   83.479   -77.7075   222.834  -3.7304    90.036   23.592  11.554  19.038  8.7055  4.553904       14.46657 
1 1 1 -16 -38 60 o 13.738  6.7429  -112.6276  77.188   -184.3152  218.973  -102.4560  82.483   21.595  10.735  14.611  7.1286  6.984160       12.88653 
1 1 1 -16 -38 61 o 17.971  8.2781  -10.3360   83.476   -326.9300  256.594  27.137     88.278   20.989  10.594  20.152  8.9676  0.8362179      13.88000 
1 1 1 -16 -37 1  o 43.820  6.2087  265.860    64.167   286.922    95.417   248.471    86.699   42.175  9.5464  39.495  9.2156  2.680622       13.26879 
1 1 1 -16 -37 2  o 19.934  7.9154  46.228     57.160   0.7856     82.199   88.777     79.540   18.868  8.5039  24.531  9.4545  -5.662836      12.71629 
1 1 1 -16 -37 3  o 29.673  10.378  147.859    92.093   231.025    224.523  131.037    100.978  32.193  14.315  28.150  10.700  4.043388       17.87208 
1 1 1 -16 -37 4  o 28.286  10.131  128.822    88.215   -165.3151  217.222  186.912    96.534   22.928  11.265  33.199  10.610  -10.27132      15.47494 
1 1 1 -16 -37 5  o 28.286  9.9429  126.362    84.592   338.113    247.547  98.366     90.010   36.494  15.641  25.958  10.043  10.53638       18.58735 
1 1 1 -16 -37 6  o 21.178  8.6101  47.094     69.332   210.744    236.045  31.643     72.531   32.811  14.628  20.271  8.5687  12.54014       16.95250 
1 1 1 -16 -37 7  o 29.627  7.9760  128.370    58.609   4.3196     170.446  145.004    62.415   25.206  11.687  31.419  8.1262  -6.212372      14.23478 
1 1 1 -16 -37 8  o 20.060  7.4689  48.838     48.641   -213.9005  159.444  75.799     51.076   19.411  9.5594  23.336  7.7363  -3.925709      12.29763 
1 1 1 -16 -37 9  f 60.866  4.8408  476.898    70.901   648.707    117.867  379.482    88.754   68.812  7.1644  52.527  7.1494  16.28543       10.12139 
1 1 1 -16 -37 10 o 41.358  6.7382  232.942    65.291   213.335    97.866   248.669    87.647   36.805  10.464  41.057  9.0424  -4.251877      13.82940 
1 1 1 -16 -37 11 o 37.726  4.8469  184.008    43.341   202.968    90.528   178.370    49.367   36.414  9.9590  36.703  5.7306  -0.2894897     11.49001 
1 1 1 -16 -37 12 o 45.741  4.5060  266.931    49.361   366.484    100.987  235.682    56.580   50.832  8.4870  42.375  5.6431  8.456730       10.19183 
1 1 1 -16 -37 13 o 15.537  6.3763  15.281     38.475   19.416     81.485   14.094     43.647   20.758  8.9367  16.147  6.7241  4.610502       11.18384 
1 1 1 -16 -37 14 o 19.770  6.7497  49.569     38.864   -9.3822    84.677   65.301     43.744   19.475  8.7158  22.121  7.1498  -2.645985      11.27321 
1 1 1 -16 -37 15 o 16.558  6.5941  22.862     39.775   140.840    80.583   -15.1403   45.735   30.928  9.6703  14.134  6.3591  16.79390       11.57381 
1 1 1 -16 -37 16 o 39.694  5.0632  203.201    47.655   185.576    91.038   209.854    55.930   35.141  10.125  39.913  5.9576  -4.772804      11.74733 
1 1 1 -16 -37 17 o 43.896  6.6104  256.987    68.222   325.677    124.516  227.521    81.553   45.896  11.265  40.016  8.6513  5.879208       14.20362 
1 1 1 -16 -37 18 o 57.993  5.8429  437.182    81.098   432.981    142.391  439.198    98.665   53.147  11.385  57.114  7.2856  -3.966438      13.51628 
1 1 1 -16 -37 19 o 41.482  6.9514  231.546    67.492   195.023    121.378  247.893    81.204   35.283  11.929  42.163  8.2328  -6.879395      14.49408 
1 1 1 -16 -37 20 o 26.665  8.3644  98.593     60.234   155.997    116.645  77.721     70.337   32.344  11.643  24.707  9.0191  7.636881       14.72775 
1 1 1 -16 -37 21 o 15.652  6.9126  -7.1776    51.499   -153.4513  100.930  44.308     59.880   16.104  7.8631  20.890  8.1607  -4.786049      11.33248 
1 1 1 -16 -37 22 o 18.414  6.7954  37.805     40.088   19.025     81.616   43.776     46.022   20.992  8.9885  19.658  7.2757  1.333624       11.56412 
1 1 1 -16 -37 23 o 28.478  6.6855  109.836    45.405   2.1328     89.722   146.913    52.644   20.791  9.1560  32.983  6.8038  -12.19210      11.40722 
1 1 1 -16 -37 24 o 21.895  7.0600  62.914     42.670   26.188     85.666   75.033     49.209   21.832  9.2747  23.682  7.5759  -1.850233      11.97560 
1 1 1 -16 -37 25 o 30.966  6.4895  128.727    47.199   40.323     88.060   164.361    55.908   22.956  9.5545  34.924  6.8424  -11.96826      11.75185 
1 1 1 -16 -37 26 o 24.770  7.1928  83.357     45.787   87.884     86.507   81.595     53.966   26.391  9.9339  24.609  7.9402  1.782022       12.71727 
1 1 1 -16 -37 27 o 29.904  6.6407  120.677    46.930   -1.8647    87.933   169.484    55.494   20.417  9.0239  35.560  6.6768  -15.14333      11.22546 
1 1 1 -16 -37 28 o 35.703  6.0349  168.044    50.417   222.052    92.621   145.303    60.101   38.955  9.8059  32.382  7.7521  6.572948       12.50001 
1 1 1 -16 -37 29 o 28.035  7.0029  107.212    47.496   90.557     89.226   113.797    56.106   26.721  10.082  28.623  7.8452  -1.902323      12.77486 
1 1 1 -16 -37 30 o 25.261  7.3414  87.048     47.680   95.752     90.070   83.659     56.200   27.170  10.154  24.896  8.1085  2.274849       12.99446 
1 1 1 -16 -37 31 o 18.437  7.0623  34.500     44.200   74.615     88.151   21.027     51.086   25.396  9.9068  17.868  7.3418  7.527746       12.33075 
1 1 1 -16 -37 32 o 10.715  5.1619  -56.2754   39.872   -227.6264  78.740   2.8125     46.238   11.846  5.9655  15.632  6.7310  -3.786156      8.994078 
1 1 1 -16 -37 33 o 33.123  10.572  163.686    95.864   163.686    95.864   0.0000     0.0000   33.123  10.572  ?       ?       0.000000       10.57170 
1 1 1 -16 -37 34 o 44.784  9.9871  294.502    105.760  294.502    105.760  0.0000     0.0000   44.784  9.9871  ?       ?       0.000000       9.987088 
1 1 1 -16 -37 35 o 73.249  5.5495  690.685    97.899   683.939    135.466  698.060    141.639  70.741  8.0346  71.151  8.3638  -0.4099808     11.59778 
1 1 1 -16 -37 36 o 35.635  8.9986  183.167    77.823   172.965    146.747  187.159    91.795   33.579  12.867  35.363  10.160  -1.784489      16.39473 
1 1 1 -16 -37 37 o 28.923  8.2900  118.285    61.179   215.422    143.770  96.806     67.605   36.261  12.940  26.461  8.9029  9.799896       15.70646 
1 1 1 -16 -37 38 o 10.924  5.1703  -38.5009   36.379   -92.9071   126.608  -33.6049   37.980   20.255  9.6034  11.535  5.4039  8.719986       11.01938 
1 1 1 -16 -37 39 o 20.177  6.8207  52.092     39.682   135.580    94.403   34.174     43.733   30.302  10.512  18.258  7.0175  12.04427       12.63915 
1 1 1 -16 -37 40 o 21.120  7.0183  58.404     42.025   -75.6949   87.285   98.871     47.949   16.833  7.9788  26.695  7.2259  -9.862701      10.76447 
1 1 1 -16 -37 41 f 44.467  5.1933  256.124    54.979   385.640    108.502  211.383    63.772   51.823  8.9526  39.405  6.9224  12.41810       11.31673 
1 1 1 -16 -37 42 o 34.959  6.2683  164.436    51.218   181.854    107.603  159.333    58.238   33.776  11.230  33.836  7.3074  -0.6042480E-01 13.39855 
1 1 1 -16 -37 43 o 29.412  8.4582  125.830    63.590   148.619    107.172  113.447    78.999   30.905  11.156  27.859  9.6189  3.045975       14.72990 
1 1 1 -16 -37 44 o 59.231  7.0998  479.650    100.004  0.0000     0.0000   479.650    100.004  ?       ?       59.231  7.0998  0.000000       7.099798 
1 1 1 -16 -37 45 o 17.304  7.4204  11.297     55.771   0.0000     0.0000   11.297     55.771   ?       ?       17.304  7.4204  0.000000       7.420375 
1 1 1 -16 -37 46 o 35.006  6.7955  169.874    55.639   0.0000     0.0000   169.874    55.639   ?       ?       35.006  6.7955  0.000000       6.795516 
1 1 1 -16 -37 47 o 23.224  7.0664  75.776     43.375   128.040    109.948  66.142     47.204   28.681  11.098  21.968  7.4390  6.712954       13.36094 
1 1 1 -16 -37 48 o 35.828  5.5273  171.602    46.505   154.947    82.159   179.455    56.412   31.213  9.7652  35.901  6.7229  -4.687958      11.85564 
1 1 1 -16 -37 49 o 28.351  6.4040  112.312    43.013   169.928    81.568   90.118     50.624   32.610  9.6381  24.893  7.6454  7.716936       12.30225 
1 1 1 -16 -37 50 o 19.096  6.7702  47.494     39.298   115.775    76.709   23.197     45.758   27.201  9.4736  16.908  6.9480  10.29314       11.74830 
1 1 1 -16 -37 51 o 27.224  6.7805  106.198    44.621   104.112    85.566   106.978    52.294   25.995  9.8575  26.846  7.6545  -0.8507786     12.48047 
1 1 1 -16 -37 52 o 45.641  5.8000  282.841    62.781   331.788    120.474  264.593    73.558   43.309  11.333  42.828  7.3427  0.4811935      13.50389 
1 1 1 -16 -37 53 o 30.247  7.5774  136.192    55.496   29.346     113.937  169.424    63.543   22.317  10.040  33.554  7.9303  -11.23632      12.79378 
1 1 1 -16 -37 54 o 16.933  7.1409  19.777     50.183   -45.8393   107.987  37.850     56.675   18.959  8.9531  19.077  7.7733  -0.1172199     11.85676 
1 1 1 -16 -37 55 o 27.847  9.1886  125.184    72.083   82.093     139.652  140.835    84.161   25.501  11.317  28.919  9.9314  -3.418097      15.05646 
1 1 1 -16 -37 56 o 21.534  8.5933  58.785     67.679   159.044    135.458  25.431     78.129   29.224  11.975  19.820  8.6404  9.404797       14.76699 
1 1 1 -16 -37 57 o 25.452  7.9810  98.050     54.845   69.651     117.617  105.941    61.997   24.336  10.606  26.155  8.5163  -1.818148      13.60173 
1 1 1 -16 -37 58 o 21.736  7.8771  66.326     53.512   30.800     117.717  75.579     60.079   22.558  10.171  22.869  8.3374  -0.3115196     13.15136 
1 1 1 -16 -37 59 o 36.338  9.3242  213.415    82.620   140.169    126.692  267.615    108.982  28.177  11.568  38.675  11.058  -10.49827      16.00291 
1 1 1 -16 -37 60 o 29.365  10.680  153.859    98.489   412.631    267.712  113.353    105.917  35.374  15.684  26.325  10.664  9.048952       18.96621 
1 1 1 -16 -37 61 o 27.800  10.680  138.105    101.254  153.398    243.758  134.915    111.312  28.326  13.399  27.444  10.997  0.8821888      17.33387 
1 1 1 -16 -37 62 o 23.541  9.8606  80.743     94.649   469.331    273.108  27.700     100.902  34.991  15.657  20.926  9.4274  14.06531       18.27598 
1 1 1 -16 -36 1  o 15.645  6.7655  6.8271     47.122   38.386     68.202   -21.9987   65.182   20.219  8.4114  16.073  7.3707  4.146694       11.18387 
1 1 1 -16 -36 2  o 22.427  7.7790  70.141     51.696   60.846     77.119   77.726     69.666   22.595  9.1180  23.697  8.9157  -1.102123      12.75256 
1 1 1 -16 -36 3  o 53.766  5.5396  382.790    71.234   306.948    105.066  447.311    96.908   44.086  10.046  56.589  7.2223  -12.50366      12.37262 
1 1 1 -16 -36 4  o 18.646  7.6406  29.652     55.145   -24.4720   73.938   97.500     82.783   17.160  7.8622  26.031  9.7335  -8.871027      12.51221 
1 1 1 -16 -36 5  o 23.179  8.7102  69.907     66.452   66.370     242.462  70.195     69.097   29.583  13.791  23.323  8.8549  6.259727       16.38938 
1 1 1 -16 -36 6  o 18.331  7.7357  19.553     58.958   -125.1889  205.933  32.476     61.534   24.124  11.649  19.619  8.0590  4.504585       14.16490 
1 1 1 -16 -36 7  o 26.129  9.0219  96.963     69.497   314.425    173.711  55.523     75.830   40.534  14.248  22.652  9.0764  17.88178       16.89370 
1 1 1 -16 -36 8  o 32.051  8.2537  147.877    64.575   -68.6338   198.599  173.473    68.285   25.400  12.039  34.786  8.2204  -9.385571      14.57745 
1 1 1 -16 -36 9  f 11.729  5.5782  -47.9685   43.368   -158.3434  193.207  -42.1124   44.503   23.232  11.234  12.240  5.7702  10.99182       12.62956 
1 1 1 -16 -36 10 o 16.862  5.9275  33.852     30.063   80.904     76.365   25.222     32.704   25.067  9.3534  15.929  6.0813  9.137831       11.15655 
1 1 1 -16 -36 11 o 17.056  6.1108  33.749     32.095   101.836    79.395   20.449     35.090   27.143  9.6231  15.670  6.2083  11.47249       11.45198 
1 1 1 -16 -36 12 o 21.541  5.9623  61.971     32.222   67.666     60.938   59.760     37.964   23.192  8.4057  21.249  6.6364  1.942806       10.70970 
1 1 1 -16 -36 13 o 6.8279  3.3789  -46.7235   20.779   -58.4490   46.611   -43.8153   23.213   11.852  5.6768  7.6191  3.7309  4.233191       6.793123 
1 1 1 -16 -36 14 o 58.213  4.0772  425.195    57.227   465.651    95.685   402.664    71.406   59.285  6.7733  56.001  5.3189  3.284248       8.612032 
1 1 1 -16 -36 15 o 21.268  6.8519  59.038     40.199   133.137    82.136   35.698     46.098   30.410  9.7939  18.765  7.2066  11.64538       12.15958 
1 1 1 -16 -36 16 o 38.847  5.3300  195.010    48.916   232.715    92.326   180.295    57.677   40.053  9.6207  36.691  6.7265  3.361938       11.73896 
1 1 1 -16 -36 17 o 43.628  4.8016  242.459    49.988   126.240    92.553   290.325    59.397   29.895  10.406  47.581  5.2311  -17.68626      11.64717 
1 1 1 -16 -36 18 o 40.106  6.9873  215.669    65.525   225.061    117.473  211.428    78.948   38.199  11.630  38.803  8.6102  -0.6033058     14.47064 
1 1 1 -16 -36 19 o 78.788  5.4862  793.885    104.227  800.566    175.146  790.221    129.690  75.084  9.8514  77.401  6.9807  -2.316719      12.07395 
1 1 1 -16 -36 20 o 30.043  8.1839  125.735    61.276   169.232    112.921  107.581    72.951   33.705  11.505  27.921  9.2453  5.784187       14.75963 
1 1 1 -16 -36 21 o 38.099  7.2667  196.116    64.724   150.707    121.177  214.242    76.559   32.355  11.834  39.300  8.2895  -6.944988      14.44845 
1 1 1 -16 -36 22 o 31.005  7.9760  133.245    60.348   90.763     111.415  150.883    71.791   27.910  11.061  32.655  8.8428  -4.745272      14.16119 
1 1 1 -16 -36 23 o 11.983  5.5529  -28.6362   38.389   -4.0620    78.105   -36.4634   44.080   19.348  8.5305  12.580  5.8700  6.768065       10.35506 
1 1 1 -16 -36 24 o 53.608  4.5125  362.365    58.151   288.591    105.966  394.155    69.560   44.629  10.030  55.580  5.2191  -10.95031      11.30648 
1 1 1 -16 -36 25 o 36.583  5.6800  174.109    48.783   257.369    89.096   138.460    58.299   42.851  8.8615  31.746  7.6571  11.10565       11.71144 
1 1 1 -16 -36 26 o 73.527  4.0853  675.360    72.597   688.543    122.318  668.192    90.202   72.230  7.0699  72.520  5.1599  -0.2892990     8.752564 
1 1 1 -16 -36 27 o 26.039  7.1010  91.921     46.104   60.908     88.336   103.531    54.049   24.560  9.8120  27.467  7.7646  -2.907560      12.51259 
1 1 1 -16 -36 28 f 54.405  4.5900  373.590    60.027   403.260    105.265  359.293    73.072   54.353  8.2401  52.745  5.8057  1.608498       10.07994 
1 1 1 -16 -36 29 o 17.216  6.9850  20.806     45.525   109.650    86.839   -12.8647   53.460   28.443  10.066  15.620  6.9626  12.82243       12.23961 
1 1 1 -16 -36 30 o 23.651  7.3137  74.611     46.237   173.074    90.286   39.609     53.831   34.427  10.130  20.002  7.7586  14.42564       12.75993 
1 1 1 -16 -36 31 o 35.196  7.7191  169.931    64.106   163.305    96.506   175.163    85.760   33.361  10.603  34.767  9.7641  -1.405617      14.41378 
1 1 1 -16 -36 32 o 21.160  9.1148  14.767     84.858   14.767     84.858   0.0000     0.0000   21.160  9.1148  ?       ?       0.000000       9.114806 
1 1 1 -16 -36 33 o 76.236  7.3426  772.558    134.145  772.558    134.145  0.0000     0.0000   76.236  7.3426  ?       ?       0.000000       7.342638 
1 1 1 -16 -36 34 o 42.983  6.1093  241.745    61.923   273.194    145.847  234.830    68.394   41.071  13.032  41.913  6.9700  -0.8416557     14.77915 
1 1 1 -16 -36 35 o 42.473  5.0897  231.132    51.409   224.783    107.484  233.015    58.539   38.573  10.965  42.295  5.8617  -3.721962      12.43391 
1 1 1 -16 -36 36 o 41.290  7.7204  233.015    74.505   499.877    151.498  147.883    85.567   57.823  11.203  31.912  9.9628  25.91129       14.99180 
1 1 1 -16 -36 37 o 29.309  8.2397  120.232    61.039   110.161    139.960  122.597    67.830   30.059  12.228  29.456  8.8085  0.6028252      15.07053 
1 1 1 -16 -36 38 o 35.630  7.7143  175.194    64.759   214.226    138.585  164.289    73.249   36.618  12.735  33.930  8.8168  2.688171       15.48889 
1 1 1 -16 -36 39 o 10.190  4.8939  -47.6982   35.171   12.836     131.324  -52.3755   36.504   24.651  10.955  10.228  4.9305  14.42284       12.01344 
1 1 1 -16 -36 40 o 21.579  7.1192  60.771     43.271   142.120    97.227   40.679     48.320   31.081  10.675  19.476  7.4023  11.60479       12.99002 
1 1 1 -16 -36 41 o 32.336  6.7428  141.839    51.190   65.412     154.727  151.233    54.245   28.097  12.205  33.322  6.9348  -5.224510      14.03742 
1 1 1 -16 -36 42 o 23.436  7.3730  74.465     46.763   233.306    102.999  33.222     52.484   39.008  10.604  19.054  7.5789  19.95374       13.03390 
1 1 1 -16 -36 43 o 19.797  7.1338  47.463     43.801   0.0000     0.0000   47.463     43.801   ?       ?       19.797  7.1338  0.000000       7.133845 
1 1 1 -16 -36 44 o 15.080  6.6951  -8.1319    48.939   0.0000     0.0000   -8.1319    48.939   ?       ?       15.080  6.6951  0.000000       6.695130 
1 1 1 -16 -36 45 o 36.944  8.6518  198.668    76.191   0.0000     0.0000   198.668    76.191   ?       ?       36.944  8.6518  0.000000       8.651756 
1 1 1 -16 -36 46 o 20.984  7.9601  52.082     55.809   199.087    163.481  32.690     59.375   33.806  13.398  19.473  7.9480  14.33342       15.57829 
1 1 1 -16 -36 47 o 10.441  4.9252  -32.0602   32.521   68.764     65.186   -65.4721   37.525   23.068  8.6350  9.7559  4.7702  13.31237       9.864995 
1 1 1 -16 -36 48 o 14.959  6.2351  12.296     37.578   99.382     71.809   -20.5452   44.098   26.123  9.1622  13.339  6.0967  12.78412       11.00524 
1 1 1 -16 -36 49 o 55.984  4.4757  402.412    60.290   495.525    111.273  363.717    71.732   58.878  7.9957  52.294  5.7481  6.583553       9.847447 
1 1 1 -16 -36 50 o 20.062  6.8982  53.567     40.608   110.075    85.878   37.293     46.086   26.932  9.9446  18.463  7.1740  8.469618       12.26223 
1 1 1 -16 -36 51 o 26.329  6.9969  99.318     45.463   201.649    91.006   65.288     52.480   35.097  10.126  21.862  7.8160  13.23498       12.79157 
1 1 1 -16 -36 52 o 41.675  6.2004  238.173    60.788   366.368    117.170  190.960    71.107   47.244  10.494  35.570  8.3771  11.67403       13.42776 
1 1 1 -16 -36 53 o 45.761  6.0322  285.716    65.347   236.457    127.304  303.339    76.144   35.107  12.205  46.337  6.9898  -11.23016      14.06525 
1 1 1 -16 -36 54 o 10.931  5.3194  -67.8692   45.108   -215.6271  101.275  -31.3034   50.381   14.122  7.0636  13.516  6.2962  0.6064682      9.462375 
1 1 1 -16 -36 55 o 13.222  6.2888  -51.2186   55.137   -111.8508  119.525  -34.8283   62.144   18.023  8.7449  14.950  6.9739  3.072762       11.18521 
1 1 1 -16 -36 56 o 34.289  9.2291  188.080    78.481   271.335    149.948  156.669    92.103   35.841  13.156  30.253  10.390  5.588160       16.76348 
1 1 1 -16 -36 57 o 23.102  7.9983  77.587     54.640   196.090    117.173  44.658     61.767   32.416  11.669  20.116  8.1451  12.30088       14.23086 
1 1 1 -16 -36 58 o 26.064  7.9734  102.149    55.124   50.414     119.380  116.169    62.147   23.697  10.492  27.462  8.4769  -3.765402      13.48855 
1 1 1 -16 -36 59 o 19.443  7.7598  42.190     55.191   89.182     120.660  29.756     62.065   25.609  10.946  18.941  7.9619  6.668102       13.53552 
1 1 1 -16 -36 60 o 28.346  10.543  136.742    96.866   113.758    266.923  140.227    103.952  28.688  13.698  28.503  10.852  0.1842594      17.47550 
1 1 1 -16 -36 61 o 44.705  10.888  348.227    117.016  160.968    288.632  385.058    128.007  29.297  14.057  46.278  11.460  -16.98090      18.13664 
1 1 1 -16 -36 62 o 35.844  11.023  237.792    105.198  323.272    282.894  224.075    113.325  31.950  14.896  33.933  11.526  -1.982933      18.83440 
1 1 1 -16 -35 1  o 18.220  7.2460  32.727     47.969   105.354    71.222   -27.5694   64.895   26.604  9.1362  15.903  7.3155  10.70127       11.70409 
1 1 1 -16 -35 2  o 40.226  6.3553  219.682    59.970   310.000    88.976   144.497    81.180   46.415  8.2002  30.530  9.7268  15.88525       12.72217 
1 1 1 -16 -35 3  o 25.698  7.0685  92.715     45.453   116.413    76.025   79.532     56.703   27.973  9.4409  23.937  8.1530  4.035479       12.47404 
1 1 1 -16 -35 4  o 21.588  7.2667  62.083     45.039   28.774     77.978   78.758     55.173   20.868  8.8563  23.905  8.0427  -3.036346      11.96325 
1 1 1 -16 -35 5  o 23.931  7.2627  79.079     45.862   147.026    78.918   44.430     56.356   31.323  9.5317  20.361  7.9272  10.96138       12.39733 
1 1 1 -16 -35 6  o 21.152  7.6349  55.533     50.199   35.357     75.048   71.869     67.530   21.253  8.8309  23.777  8.8108  -2.524597      12.47455 
1 1 1 -16 -35 7  o 35.257  8.3789  177.136    70.624   196.773    163.087  172.604    78.351   34.710  13.493  34.315  9.2153  0.3943825      16.33965 
1 1 1 -16 -35 8  f 52.103  7.1801  365.992    88.361   273.018    226.216  382.731    95.986   38.575  15.599  52.914  7.7020  -14.33895      17.39672 
1 1 1 -16 -35 9  o 24.084  8.6233  74.573     63.904   -21.8073   194.881  86.185     67.644   27.165  12.561  25.413  8.8936  1.751917       15.39051 
1 1 1 -16 -35 10 o 46.116  8.0241  292.812    86.525   378.798    213.564  275.926    94.640   44.852  15.796  43.961  9.1693  0.8917427      18.26406 
1 1 1 -16 -35 11 o 26.136  6.4376  92.020     40.557   0.0000     0.0000   92.020     40.557   ?       ?       26.136  6.4376  0.000000       6.437555 
1 1 1 -16 -35 12 o 18.756  5.8777  45.217     29.752   103.395    57.191   23.631     34.836   27.353  8.0664  16.095  6.2419  11.25824       10.19945 
1 1 1 -16 -35 13 o 27.703  5.3031  100.258    34.349   37.078     64.124   125.682    40.677   20.727  8.3318  30.980  5.6183  -10.25302      10.04908 
1 1 1 -16 -35 14 o 31.882  5.0886  131.225    38.040   87.462     70.246   149.384    45.249   25.834  9.0618  33.813  5.7192  -7.978544      10.71573 
1 1 1 -16 -35 15 f 57.295  3.8967  409.635    53.851   352.763    93.801   437.594    65.769   51.078  7.8172  58.892  4.6402  -7.813343      9.090653 
1 1 1 -16 -35 16 o 48.699  4.2714  298.038    49.962   402.372    84.178   241.292    62.080   55.557  6.3590  42.994  6.1240  12.56339       8.828358 
1 1 1 -16 -35 17 o 52.992  4.4175  353.233    56.282   385.470    101.220  338.806    67.716   53.305  8.0791  51.388  5.5171  1.916817       9.783162 
1 1 1 -16 -35 18 o 28.366  6.4526  107.535    43.410   55.675     85.377   125.617    50.414   24.041  9.6315  30.518  6.9622  -6.476765      11.88435 
1 1 1 -16 -35 19 o 67.512  4.0879  568.995    66.648   568.971    114.590  569.006    81.932   65.535  7.3319  67.007  5.0770  -1.471428      8.918099 
1 1 1 -16 -35 20 o 30.303  8.2233  127.060    62.006   249.113    113.529  75.174     74.021   40.842  11.145  24.935  9.2276  15.90644       14.46956 
1 1 1 -16 -35 21 o 36.962  7.7096  185.866    66.905   101.824    121.042  222.840    80.284   29.275  11.552  40.129  8.5092  -10.85404      14.34770 
1 1 1 -16 -35 22 o 21.398  8.1752  48.236     59.130   53.167     111.899  46.326     69.648   25.800  10.757  22.118  8.7517  3.682652       13.86746 
1 1 1 -16 -35 23 o 20.825  8.1534  41.450     59.876   131.566    114.081  7.1877     70.343   31.116  11.467  19.254  8.2961  11.86206       14.15324 
1 1 1 -16 -35 24 o 61.092  4.2931  467.255    63.234   558.389    108.614  420.528    77.773   65.244  6.9687  57.286  5.6697  7.958298       8.983750 
1 1 1 -16 -35 25 o 61.154  4.3492  468.541    64.115   434.988    110.146  485.736    78.850   56.682  8.2507  61.800  5.3099  -5.117516      9.811681 
1 1 1 -16 -35 26 o 63.548  4.3040  505.457    65.974   509.180    113.394  503.552    81.116   61.758  7.7369  62.900  5.3661  -1.142101      9.415719 
1 1 1 -16 -35 27 o 57.997  4.4743  422.417    62.478   464.143    111.290  403.214    75.497   58.738  8.0180  56.113  5.6206  2.625576       9.791835 
1 1 1 -16 -35 28 o 17.592  6.9000  27.085     42.941   31.108     82.009   25.565     50.402   22.079  9.2075  18.340  7.3817  3.738770       11.80115 
1 1 1 -16 -35 29 o 31.315  6.5464  130.569    48.140   101.740    90.995   141.773    56.729   28.061  10.256  32.328  7.3928  -4.267162      12.64284 
1 1 1 -16 -35 30 o 48.664  9.2446  331.031    105.168  331.031    105.168  0.0000     0.0000   48.664  9.2446  ?       ?       0.000000       9.244583 
1 1 1 -16 -35 31 o 44.660  9.8128  284.715    103.431  284.715    103.431  0.0000     0.0000   44.660  9.8128  ?       ?       0.000000       9.812786 
1 1 1 -16 -35 32 o 63.916  7.9803  549.167    121.068  549.167    121.068  0.0000     0.0000   63.916  7.9803  ?       ?       0.000000       7.980308 
1 1 1 -16 -35 33 o 13.830  6.2459  -18.5349   44.601   56.022     81.153   -50.8015   53.387   23.777  9.4346  13.449  6.3339  10.32795       11.36351 
1 1 1 -16 -35 34 o 45.907  5.0669  268.580    55.500   448.217    147.986  239.180    59.869   54.844  11.489  42.930  5.9038  11.91439       12.91670 
1 1 1 -16 -35 35 o 41.846  4.9368  223.144    49.161   168.621    99.867   240.583    56.478   33.928  10.786  43.226  5.5102  -9.298042      12.11211 
1 1 1 -16 -35 36 o 58.861  4.3606  435.023    61.835   395.500    117.226  450.260    72.785   52.988  9.4649  59.531  5.0878  -6.542278      10.74565 
1 1 1 -16 -35 37 o 30.122  8.2009  126.063    61.551   154.617    131.543  118.059    69.646   32.878  12.274  29.077  8.9735  3.800514       15.20480 
1 1 1 -16 -35 38 o 26.655  8.4330  97.100     61.102   225.167    131.239  61.657     69.041   37.956  12.392  23.304  8.8505  14.65137       15.22829 
1 1 1 -16 -35 39 o 26.200  8.3690  93.527     60.068   140.458    132.189  81.315     67.432   31.814  12.207  25.076  8.8709  6.738140       15.08985 
1 1 1 -16 -35 40 o 19.704  7.6068  39.241     51.555   109.814    105.656  17.187     59.063   28.897  10.955  18.533  7.7775  10.36418       13.43491 
1 1 1 -16 -35 41 o 30.054  6.9083  122.694    49.322   -1.4108    153.650  136.952    52.078   25.655  11.589  31.769  6.9494  -6.114201      13.51259 
1 1 1 -16 -35 42 o 29.314  6.9669  117.260    48.825   0.0000     0.0000   117.260    48.825   ?       ?       29.314  6.9669  0.000000       6.966947 
1 1 1 -16 -35 43 o 46.415  5.7339  280.601    63.204   0.0000     0.0000   280.601    63.204   ?       ?       46.415  5.7339  0.000000       5.733931 
1 1 1 -16 -35 44 o 27.654  7.3723  106.078    50.369   0.0000     0.0000   106.078    50.369   ?       ?       27.654  7.3723  0.000000       7.372275 
1 1 1 -16 -35 45 o 14.056  6.3150  -14.0400   44.914   -85.5166   155.048  -7.4926    46.926   22.586  10.685  14.852  6.5769  7.734174       12.54671 
1 1 1 -16 -35 46 o 19.621  7.4879  42.352     49.570   -71.7027   108.965  72.116     55.664   19.168  9.0341  23.267  8.0719  -4.098415      12.11486 
1 1 1 -16 -35 47 o 19.046  7.0219  42.637     42.787   169.476    111.652  20.804     46.323   32.552  11.424  17.064  6.9989  15.48792       13.39765 
1 1 1 -16 -35 48 o 23.090  6.9220  73.594     41.848   153.203    85.151   48.243     48.051   31.524  9.9532  20.037  7.4308  11.48648       12.42107 
1 1 1 -16 -35 49 o 38.319  5.4296  193.772    49.071   168.740    95.413   202.774    57.218   32.472  10.565  38.692  6.3123  -6.219692      12.30676 
1 1 1 -16 -35 50 o 9.1713  4.5170  -70.1930   35.622   90.620     74.439   -117.9590  40.569   25.292  9.2714  8.5634  4.3085  16.72879       10.22362 
1 1 1 -16 -35 51 o 15.986  6.5095  19.948     39.709   151.630    85.791   -15.9545   44.796   30.831  10.017  13.716  6.2207  17.11503       11.79156 
1 1 1 -16 -35 52 o 33.830  6.0929  156.506    48.174   186.596    97.483   146.784    55.413   33.372  10.662  31.981  7.3016  1.390875       12.92223 
1 1 1 -16 -35 53 o 61.735  5.1778  501.107    76.844   523.833    142.081  491.711    91.359   56.670  10.726  59.992  6.3738  -3.321815      12.47650 
1 1 1 -16 -35 54 o 18.819  7.5467  36.688     52.469   109.487    107.436  13.887     60.127   26.791  10.779  17.686  7.6452  9.105444       13.21518 
1 1 1 -16 -35 55 o 18.348  7.8500  20.700     62.158   -132.1362  103.997  105.642    77.530   16.258  7.9477  26.158  9.4811  -9.899527      12.37163 
1 1 1 -16 -35 56 o 48.425  7.7977  341.320    88.511   443.989    154.457  291.122    108.003  48.312  12.924  41.535  10.662  6.777752       16.75430 
1 1 1 -16 -35 57 o 37.067  9.0664  214.644    80.869   199.889    152.292  220.438    95.437   31.867  12.829  36.230  10.344  -4.363583      16.48021 
1 1 1 -16 -35 58 o 16.878  7.2178  14.368     52.507   -24.5914   114.070  24.841     59.145   20.428  9.5020  18.386  7.7529  2.041632       12.26354 
1 1 1 -16 -35 59 o 12.434  5.8868  -43.1663   47.243   -76.8018   112.625  -35.9840   52.043   18.571  8.8760  13.552  6.3416  5.018827       10.90868 
1 1 1 -16 -35 60 o 19.980  8.9715  7.5577     90.512   353.229    257.671  -41.0989   96.673   35.491  15.576  18.382  8.6147  17.10921       17.79927 
1 1 1 -16 -35 61 o 40.718  11.235  294.053    114.627  383.141    283.826  276.691    125.300  35.122  15.818  38.119  12.078  -2.996712      19.90210 
1 1 1 -16 -35 62 o 29.317  13.991  161.571    277.681  161.571    277.681  0.0000     0.0000   29.317  13.991  ?       ?       0.000000       13.99092 
1 1 1 -16 -35 63 o 19.272  8.7276  6.2811     87.789   -341.9923  269.721  47.548     92.845   21.627  10.910  21.748  9.4507  -0.1210041     14.43407 
1 1 1 -16 -34 1  o 61.510  5.2750  491.388    77.967   447.252    128.247  517.265    98.197   54.262  10.113  61.972  6.6334  -7.710670      12.09420 
1 1 1 -16 -34 2  o 15.782  6.4561  16.982     39.288   5.8218     66.722   22.905     48.608   18.300  7.9811  17.540  7.1789  0.7597485      10.73472 
1 1 1 -16 -34 3  o 44.298  5.2988  254.870    55.824   305.038    92.578   226.207    69.977   46.282  8.5592  40.490  7.3953  5.791954       11.31148 
1 1 1 -16 -34 4  o 21.018  7.1836  56.837     44.022   63.357     76.176   53.569     53.941   23.567  9.2050  21.223  7.8725  2.344404       12.11228 
1 1 1 -16 -34 5  o 52.799  5.6396  361.744    71.132   440.112    102.813  289.790    98.515   56.837  7.6493  44.743  9.3744  12.09428       12.09923 
1 1 1 -16 -34 6  o 54.718  3.9629  375.317    52.258   357.597    98.652   382.229    61.612   50.809  8.2878  54.883  4.6711  -4.074448      9.513521 
1 1 1 -16 -34 7  o 37.559  4.5565  179.602    40.675   222.652    86.793   167.486    46.045   39.368  9.2440  35.894  5.4588  3.473953       10.73545 
1 1 1 -16 -34 8  f 22.549  7.3887  66.530     46.638   37.865     77.069   83.092     58.583   21.931  9.0151  24.937  8.2863  -3.005613      12.24476 
1 1 1 -16 -34 9  o 46.132  7.7650  288.973    83.830   334.199    204.713  279.861    91.888   43.295  15.441  44.747  8.7767  -1.452484      17.76131 
1 1 1 -16 -34 10 o 58.067  6.6049  441.821    91.403   599.166    176.366  384.040    106.875  62.955  11.983  52.754  8.6493  10.20144       14.77880 
1 1 1 -16 -34 11 o 55.595  6.7056  405.692    88.629   347.771    170.887  427.005    103.660  45.775  14.045  56.341  7.7912  -10.56532      16.06100 
1 1 1 -16 -34 12 o 27.019  8.6585  99.246     64.256   63.656     134.158  109.840    73.199   27.693  11.677  28.286  9.2559  -0.5927753     14.90034 
1 1 1 -16 -34 13 o 84.455  4.3131  891.744    88.090   830.278    213.709  904.325    96.686   74.332  12.278  84.805  4.7173  -10.47294      13.15270 
1 1 1 -16 -34 14 o 69.297  3.7659  596.535    63.082   647.831    106.507  568.816    78.292   70.805  6.2640  67.156  4.8371  3.648827       7.914281 
1 1 1 -16 -34 15 o 62.087  3.8099  479.322    57.118   504.730    98.584   466.483    70.079   62.238  6.6303  60.823  4.7872  1.414825       8.177890 
1 1 1 -16 -34 16 o 62.961  3.8736  493.117    58.890   478.338    100.435  500.859    72.698   60.375  6.9848  63.049  4.7878  -2.673214      8.468244 
1 1 1 -16 -34 17 o 85.390  3.8634  903.515    80.047   856.315    128.341  933.566    102.407  81.329  6.5594  86.114  4.9215  -4.784843      8.200421 
1 1 1 -16 -34 18 o 98.000  3.9459  1190.81    93.827   1196.00    153.656  1187.72    118.482  96.161  6.6259  97.094  5.0466  -0.9324188     8.328867 
1 1 1 -16 -34 19 o 30.790  6.2657  125.113    45.219   186.430    84.446   100.463    53.542   36.316  9.4813  27.238  7.7380  9.077888       12.23808 
1 1 1 -16 -34 20 o 15.989  6.5098  15.779     39.708   9.4289     77.676   18.025     46.202   20.299  8.7323  17.133  7.0041  3.166027       11.19419 
1 1 1 -16 -34 21 o 13.211  6.2049  -47.1833   50.617   -135.9831  99.785   -16.4171   58.735   16.692  8.0724  16.272  7.2723  0.4202156      10.86505 
1 1 1 -16 -34 22 o 14.454  6.6353  -31.9066   53.015   -116.9257  104.119  -2.1493    61.599   17.762  8.5012  17.614  7.6756  0.1475945      11.45365 
1 1 1 -16 -34 23 o 46.119  6.9380  279.582    75.234   114.881    129.615  363.268    92.392   30.779  12.011  52.370  7.4836  -21.59091      14.15188 
1 1 1 -16 -34 24 o 20.669  8.1644  37.982     60.519   67.482     109.143  24.885     72.722   26.724  10.825  20.855  8.6816  5.869230       13.87629 
1 1 1 -16 -34 25 o 71.428  4.1700  635.427    71.958   652.755    121.985  626.179    89.115   70.630  7.2194  70.374  5.2568  0.2567139      8.930470 
1 1 1 -16 -34 26 o 28.283  7.0462  107.320    48.178   167.272    88.529   82.093     57.426   34.336  10.011  25.060  8.1982  9.275198       12.93918 
1 1 1 -16 -34 27 o 43.673  5.1753  242.682    53.775   275.607    97.658   228.354    64.422   44.479  9.3457  41.769  6.5736  2.710094       11.42610 
1 1 1 -16 -34 28 o 20.717  7.1601  52.118     43.778   122.463    87.041   28.296     50.651   29.980  10.102  18.697  7.4426  11.28320       12.54746 
1 1 1 -16 -34 29 o 23.858  9.7095  47.251     88.283   47.251     88.283   0.0000     0.0000   23.858  9.7095  ?       ?       0.000000       9.709494 
1 1 1 -16 -34 30 o 26.599  10.059  83.175     88.952   83.175     88.952   0.0000     0.0000   26.599  10.059  ?       ?       0.000000       10.05931 
1 1 1 -16 -34 31 o 27.431  10.259  91.819     91.960   91.819     91.960   0.0000     0.0000   27.431  10.259  ?       ?       0.000000       10.25852 
1 1 1 -16 -34 32 f 102.414 4.1035  1302.53    101.971  1414.60    164.710  1232.88    129.846  104.745 6.5130  98.645  5.4460  6.099472       8.489844 
1 1 1 -16 -34 33 o 80.002  3.9922  794.054    77.495   848.446    135.194  767.436    94.575   80.649  6.9774  78.006  5.0235  2.643272       8.597612 
1 1 1 -16 -34 34 o 59.434  4.2956  441.986    61.530   637.360    115.559  364.678    72.691   69.859  6.9079  53.334  5.7056  16.52441       8.959527 
1 1 1 -16 -34 35 o 59.934  4.2473  449.251    61.366   426.460    116.351  458.034    72.230   55.709  8.9077  60.181  4.9915  -4.472393      10.21085 
1 1 1 -16 -34 36 o 68.678  4.1869  588.950    69.438   575.299    127.686  594.683    82.742   65.325  8.2388  68.599  5.0056  -3.273895      9.640213 
1 1 1 -16 -34 37 o 90.590  4.0329  1019.69    88.647   1149.56    151.559  952.163    109.292  94.079  6.6828  86.715  5.2186  7.363884       8.478997 
1 1 1 -16 -34 38 o 21.942  8.0100  56.382     55.480   59.749     134.229  55.688     60.927   27.544  11.651  22.263  8.3453  5.281181       14.33107 
1 1 1 -16 -34 39 o 50.294  6.7031  332.417    79.763   511.788    153.881  266.518    93.272   59.045  11.150  43.573  9.1149  15.47165       14.40115 
1 1 1 -16 -34 40 o 56.374  6.5063  415.312    87.363   510.811    170.185  381.142    101.799  57.540  12.543  52.914  8.1937  4.625977       14.98246 
1 1 1 -16 -34 41 o 40.953  5.6984  217.430    55.089   0.0000     0.0000   217.430    55.089   ?       ?       40.953  5.6984  0.000000       5.698362 
1 1 1 -16 -34 42 o 22.943  7.3693  69.413     46.526   0.0000     0.0000   69.413     46.526   ?       ?       22.943  7.3693  0.000000       7.369334 
1 1 1 -16 -34 43 o 27.634  7.3420  104.711    50.067   0.0000     0.0000   104.711    50.067   ?       ?       27.634  7.3420  0.000000       7.342049 
1 1 1 -16 -34 44 o 51.331  4.7936  335.156    59.014   314.398    121.260  341.599    67.554   45.461  11.091  51.462  5.4950  -6.001419      12.37797 
1 1 1 -16 -34 45 o 46.538  6.7245  288.886    73.731   206.088    138.280  321.776    87.153   35.794  12.699  48.544  7.6527  -12.74986      14.82651 
1 1 1 -16 -34 46 o 29.600  7.9379  123.433    58.184   24.287     120.953  153.283    66.367   24.251  10.657  32.815  8.3227  -8.564110      13.52144 
1 1 1 -16 -34 47 o 32.173  7.8609  146.152    60.843   275.230    125.429  106.434    69.578   41.120  11.895  27.343  9.0278  13.77626       14.93271 
1 1 1 -16 -34 48 o 16.739  6.6412  24.651     40.207   77.429     83.093   8.5159     45.943   24.907  9.6454  15.932  6.7807  8.974567       11.79036 
1 1 1 -16 -34 49 o 52.764  4.6016  356.128    58.323   467.714    108.040  310.236    69.286   57.847  7.9042  48.342  6.0385  9.504448       9.946841 
1 1 1 -16 -34 50 o 25.426  6.8532  90.186     43.239   221.823    88.099   48.415     49.628   38.192  9.5359  20.140  7.5352  18.05276       12.15370 
1 1 1 -16 -34 51 o 19.185  6.9699  45.285     41.934   75.356     85.854   35.863     48.056   24.473  9.7062  18.613  7.2998  5.860554       12.14485 
1 1 1 -16 -34 52 o 41.701  5.3193  229.297    52.597   183.184    102.704  245.691    61.236   33.158  10.969  42.684  6.0849  -9.525829      12.54398 
1 1 1 -16 -34 53 o 27.007  8.1114  107.764    57.426   145.547    116.943  95.758     65.922   29.704  11.460  25.508  8.7880  4.196354       14.44124 
1 1 1 -16 -34 54 o 17.375  7.3951  16.509     54.650   -16.5494   107.956  27.899     63.369   20.473  9.4242  19.121  8.0418  1.351616       12.38901 
1 1 1 -16 -34 55 o 16.509  7.0273  13.706     49.355   235.057    106.153  -47.3409   55.747   36.957  11.012  13.573  6.4166  23.38411       12.74513 
1 1 1 -16 -34 56 o 30.398  9.2069  145.581    73.758   62.019     140.342  177.470    86.697   25.359  11.294  32.912  9.9849  -7.552914      15.07486 
1 1 1 -16 -34 57 o 37.092  9.0351  213.049    80.564   204.735    150.502  216.389    95.380   32.477  12.860  36.052  10.356  -3.575584      16.51187 
1 1 1 -16 -34 58 o 24.268  8.1772  86.010     57.034   11.130     130.833  103.578    63.372   22.929  10.488  26.197  8.6141  -3.267586      13.57234 
1 1 1 -16 -34 59 o 13.652  6.3508  -31.8042   50.967   37.455     119.262  -47.2794   56.374   23.430  10.425  13.670  6.4594  9.759819       12.26367 
1 1 1 -16 -34 60 o 25.598  9.7893  96.949     84.836   -100.9131  131.139  239.351    111.252  19.405  9.3519  36.853  11.336  -17.44808      14.69585 
1 1 1 -16 -34 61 o 21.000  9.2691  23.641     92.468   -42.8464   289.142  31.216     97.593   26.964  13.196  21.736  9.5613  5.228220       16.29605 
1 1 1 -16 -34 62 o 24.355  12.016  -136.4310  255.839  -136.4310  255.839  0.0000     0.0000   24.355  12.016  ?       ?       0.000000       12.01638 
1 1 1 -16 -34 63 o 17.944  8.4441  -41.5597   94.520   -34.7710   267.911  -42.5248   101.016  25.712  12.608  18.454  8.6977  7.257950       15.31719 
1 1 1 -16 -33 1  o 9.3202  4.5700  -65.6840   35.179   -119.2811  61.655   -39.8130   42.836   12.001  5.9167  12.072  5.6819  -0.7151031E-01 8.203172 
1 1 1 -16 -33 2  f 42.940  5.2186  238.241    53.256   238.027    87.884   238.365    66.947   40.546  9.1502  42.111  6.7822  -1.565273      11.38972 
1 1 1 -16 -33 3  o 17.925  7.1562  27.133     46.953   51.161     71.230   8.6699     62.438   22.368  8.8506  18.217  7.8327  4.150703       11.81881 
1 1 1 -16 -33 4  o 13.022  5.1709  12.642     24.395   -29.8400   70.558   18.409     25.998   16.942  7.7313  14.118  5.4143  2.824384       9.438617 
1 1 1 -16 -33 5  o 58.007  3.9242  420.471    54.907   362.512    102.943  443.516    64.911   51.140  8.6014  59.291  4.5466  -8.150951      9.729082 
1 1 1 -16 -33 6  o 46.350  4.3054  270.504    47.867   337.011    108.101  254.283    53.386   48.740  9.4821  44.640  5.0156  4.100182       10.72689 
1 1 1 -16 -33 7  f 36.667  4.4051  170.219    38.408   100.696    86.696   187.196    42.841   27.714  10.029  38.368  4.7001  -10.65432      11.07564 
1 1 1 -16 -33 8  o 27.577  5.7744  100.139    37.400   217.501    82.014   69.326     42.024   39.459  8.7911  22.893  6.9530  16.56542       11.20839 
1 1 1 -16 -33 9  o 22.466  5.9372  66.732     32.853   195.536    62.909   18.434     38.523   38.277  7.0326  16.064  6.4578  22.21282       9.547808 
1 1 1 -16 -33 10 o 21.709  8.0325  53.476     56.086   -223.0835  131.784  114.648    61.979   17.827  8.7622  28.870  8.3643  -11.04276      12.11357 
1 1 1 -16 -33 11 o 57.859  6.5193  435.262    89.929   522.001    172.413  402.845    105.402  58.692  12.490  54.613  8.2080  4.079346       14.94585 
1 1 1 -16 -33 12 o 80.859  5.9791  837.115    116.476  905.113    204.476  804.453    141.716  79.612  10.869  78.043  7.5793  1.569061       13.25085 
1 1 1 -16 -33 13 o 103.393 5.9128  1363.74    147.721  1459.68    245.807  1309.49    184.817  102.486 10.013  99.635  7.7047  2.851746       12.63390 
1 1 1 -16 -33 14 o 98.270  5.8952  1230.92    139.918  1294.29    233.946  1195.64    174.584  96.410  10.153  95.340  7.6103  1.069893       12.68881 
1 1 1 -16 -33 15 o 61.476  3.8654  469.419    57.366   455.555    98.352   476.568    70.623   59.037  7.0023  61.577  4.7638  -2.539833      8.469118 
1 1 1 -16 -33 16 o 45.084  4.1916  254.305    45.328   182.012    80.198   288.240    54.947   36.132  9.1408  47.804  4.8020  -11.67239      10.32538 
1 1 1 -16 -33 17 o 33.393  4.9176  142.186    38.652   48.495     71.129   181.445    46.043   22.597  8.8751  37.714  5.1675  -15.11619      10.26985 
1 1 1 -16 -33 18 o 60.892  3.8677  460.141    56.848   357.228    96.448   514.928    70.372   51.778  7.9293  64.160  4.5499  -12.38125      9.141964 
1 1 1 -16 -33 19 o 27.457  6.7631  100.296    44.761   54.736     84.479   118.078    52.778   24.224  9.6216  29.648  7.3686  -5.424643      12.11904 
1 1 1 -16 -33 20 o 43.445  4.9633  238.718    51.381   254.832    90.926   231.159    62.278   43.089  8.9877  42.246  6.2654  0.8424988      10.95600 
1 1 1 -16 -33 21 o 49.581  4.6011  308.376    54.722   368.321    97.964   281.189    65.974   52.670  7.9099  46.817  5.9415  5.852852       9.892859 
1 1 1 -16 -33 22 o 32.277  8.4138  142.165    66.568   104.565    122.530  157.910    79.290   30.094  11.696  33.740  9.3578  -3.646603      14.97917 
1 1 1 -16 -33 23 o 50.405  7.9143  337.550    93.605   0.0000     0.0000   337.550    93.605   ?       ?       50.405  7.9143  0.000000       7.914254 
1 1 1 -16 -33 24 o 19.825  7.9824  29.326     58.962   156.841    118.608  -12.5299   67.953   33.726  11.778  17.877  7.9156  15.84840       14.19086 
1 1 1 -16 -33 25 o 21.891  8.2424  50.774     59.562   -22.5890   113.121  78.915     70.060   22.401  10.046  25.395  9.0359  -2.994110      13.51194 
1 1 1 -16 -33 26 o 48.830  4.7810  299.830    55.920   223.888    99.628   334.758    67.567   39.776  10.257  51.335  5.5107  -11.55911      11.64326 
1 1 1 -16 -33 27 o 27.725  6.9510  102.367    46.673   12.952     88.273   137.065    54.989   21.779  9.3372  32.037  7.2438  -10.25758      11.81767 
1 1 1 -16 -33 28 o 34.703  10.265  169.592    92.494   169.592    92.494   0.0000     0.0000   34.703  10.265  ?       ?       0.000000       10.26516 
1 1 1 -16 -33 29 o 32.308  10.343  144.725    91.705   144.725    91.705   0.0000     0.0000   32.308  10.343  ?       ?       0.000000       10.34285 
1 1 1 -16 -33 30 o 21.130  9.0242  13.613     81.887   13.613     81.887   0.0000     0.0000   21.130  9.0242  ?       ?       0.000000       9.024190 
1 1 1 -16 -33 31 o 64.652  4.4180  521.855    68.892   543.335    115.346  509.943    85.894   64.310  7.5348  63.346  5.6475  0.9634552      9.416380 
1 1 1 -16 -33 32 o 34.021  5.6521  149.554    45.020   164.491    93.755   145.077    51.325   34.091  10.392  33.153  6.6121  0.9379616      12.31764 
1 1 1 -16 -33 33 o 41.352  4.9676  216.870    48.846   154.313    96.390   238.486    56.660   33.093  10.605  43.173  5.5364  -10.07988      11.96296 
1 1 1 -16 -33 34 o 63.779  4.2072  507.122    64.742   571.346    119.620  480.515    76.994   65.790  7.6353  61.644  5.1960  4.146381       9.235600 
1 1 1 -16 -33 35 o 102.495 4.0218  1302.31    100.020  1411.69    165.438  1239.31    125.567  104.717 6.5439  99.127  5.2392  5.590355       8.382838 
1 1 1 -16 -33 36 o 101.865 4.0164  1286.74    99.271   1483.92    165.270  1175.45    124.167  107.492 6.3649  96.443  5.3267  11.04926       8.299754 
1 1 1 -16 -33 37 o 87.676  4.0428  953.826    86.006   1068.56    149.483  897.047    105.155  90.733  6.8402  84.296  5.1661  6.437271       8.571840 
1 1 1 -16 -33 38 o 58.117  6.1990  436.005    86.067   509.886    159.672  405.749    102.182  58.901  11.585  55.065  7.8717  3.835796       14.00634 
1 1 1 -16 -33 39 o 26.712  8.1418  96.487     57.546   7.1385     128.355  118.965    64.379   24.740  10.920  29.382  8.5282  -4.642439      13.85569 
1 1 1 -16 -33 40 o 16.024  7.0569  -7.5107    53.300   0.0000     0.0000   -7.5107    53.300   ?       ?       16.024  7.0569  0.000000       7.056870 
1 1 1 -16 -33 41 o 20.350  7.0705  50.369     42.716   0.0000     0.0000   50.369     42.716   ?       ?       20.350  7.0705  0.000000       7.070474 
1 1 1 -16 -33 42 o 44.309  5.7097  253.486    59.957   0.0000     0.0000   253.486    59.957   ?       ?       44.309  5.7097  0.000000       5.709654 
1 1 1 -16 -33 43 o 46.996  4.9348  280.904    55.432   339.172    116.287  263.770    63.057   48.412  10.220  45.085  5.9063  3.327312       11.80424 
1 1 1 -16 -33 44 o 60.063  4.3480  453.312    62.937   419.549    108.783  470.300    77.163   55.319  8.3656  60.688  5.2931  -5.368652      9.899520 
1 1 1 -16 -33 45 o 15.435  6.3850  12.476     38.982   -0.6884    74.765   17.391     45.684   19.113  8.3890  16.869  6.9383  2.243847       10.88647 
1 1 1 -16 -33 46 f 18.388  7.3488  28.621     49.569   -27.3699   107.925  43.590     55.803   21.072  9.5950  20.470  7.9108  0.6020031      12.43561 
1 1 1 -16 -33 47 o 30.690  7.9634  132.381    59.812   149.227    124.679  127.345    68.168   31.756  11.931  29.820  8.8102  1.935991       14.83162 
1 1 1 -16 -33 48 o 19.644  6.9432  47.440     41.301   42.409     82.115   49.144     47.785   22.391  9.2650  20.305  7.4306  2.085932       11.87659 
1 1 1 -16 -33 49 o 51.456  4.6446  338.023    57.365   345.314    106.122  335.012    68.185   48.647  9.3300  50.640  5.6453  -1.993683      10.90497 
1 1 1 -16 -33 50 o 59.464  4.4471  449.805    63.699   486.878    115.974  433.789    76.227   58.650  8.3884  57.686  5.5131  0.9637489      10.03793 
1 1 1 -16 -33 51 o 27.799  6.8791  107.673    46.149   184.077    92.652   82.464     53.220   34.223  10.309  24.283  7.8897  9.939968       12.98130 
1 1 1 -16 -33 52 o 31.639  6.6648  138.420    49.550   234.446    98.327   105.735    57.366   38.480  10.319  27.005  8.1063  11.47480       13.12234 
1 1 1 -16 -33 53 o 22.660  7.7577  70.699     51.340   8.1193     93.272   97.900     61.494   20.685  9.2103  25.905  8.4840  -5.219959      12.52226 
1 1 1 -16 -33 54 o 21.383  7.8468  59.563     53.341   -51.0381   123.024  85.169     59.195   20.510  9.6461  24.371  8.3301  -3.860195      12.74506 
1 1 1 -16 -33 55 o 12.173  5.7321  -37.8618   43.681   -185.8874  106.879  -8.1778    47.861   15.434  7.6424  14.693  6.5658  0.7413635      10.07548 
1 1 1 -16 -33 56 o 12.136  5.9086  -82.9505   55.818   -39.6268   131.027  -92.5562   61.697   21.303  9.9982  12.658  6.1735  8.644492       11.75056 
1 1 1 -16 -33 57 o 20.429  8.4642  39.396     68.660   159.615    146.719  5.6858     77.692   30.310  12.447  18.992  8.4338  11.31780       15.03490 
1 1 1 -16 -33 58 o 18.288  7.4648  30.028     52.375   17.830     125.727  32.590     57.612   23.045  10.440  18.993  7.7995  4.051643       13.03139 
1 1 1 -16 -33 59 o 18.386  7.7198  24.271     58.236   37.012     131.330  21.152     64.974   24.174  10.834  18.804  8.0348  5.370373       13.48833 
1 1 1 -16 -33 60 o 16.184  7.1333  0.3543     54.576   123.468    130.352  -25.8140   60.097   28.290  11.687  15.299  7.0386  12.99054       13.64288 
1 1 1 -16 -33 61 o 14.347  7.0094  -114.9507  80.524   -556.6727  253.596  -65.4209   84.918   19.987  10.134  16.460  7.8219  3.527006       12.80155 
1 1 1 -16 -33 62 o 13.070  6.5193  -178.6664  83.664   -423.1548  267.540  -152.1664  88.081   21.648  10.913  14.164  6.9997  7.483853       12.96527 
1 1 1 -16 -33 63 o 24.401  9.9270  83.257     92.243   205.665    330.642  72.925     96.057   30.750  14.827  23.847  9.9566  6.903013       17.85966 
1 1 1 -16 -32 1  o 62.176  5.2129  494.558    77.918   515.087    110.680  474.388    109.711  61.796  7.5378  59.034  7.8542  2.762150       10.88604 
1 1 1 -16 -32 2  o 11.867  5.0526  1.7569     25.525   -52.2517   72.530   9.3913     27.269   16.140  7.5307  13.131  5.3761  3.008686       9.252760 
1 1 1 -16 -32 3  o 33.783  4.7286  145.901    37.698   234.457    81.417   121.734    42.532   41.085  8.4492  30.353  5.9877  10.73252       10.35575 
1 1 1 -16 -32 4  o 42.765  4.4310  230.850    45.312   190.357    101.542  240.918    50.632   35.879  10.788  43.523  4.8785  -7.643761      11.84004 
1 1 1 -16 -32 5  o 21.863  5.8281  63.082     31.480   79.429     71.216   59.112     35.095   25.202  9.0942  21.239  6.3325  3.963835       11.08179 
1 1 1 -16 -32 6  o 23.986  5.7888  75.953     33.305   161.824    76.698   55.999     36.972   33.898  9.1235  20.834  6.5561  13.06444       11.23484 
1 1 1 -16 -32 7  o 43.732  4.2292  239.969    44.316   262.376    90.191   232.838    50.882   43.548  8.8376  42.796  4.9939  0.7515488      10.15101 
1 1 1 -16 -32 8  o 15.945  5.5001  29.712     25.826   59.602     52.534   20.187     29.658   22.174  7.8314  14.999  5.7753  7.175080       9.730611 
1 1 1 -16 -32 9  o 43.460  4.0814  236.297    42.535   228.399    75.975   239.902    51.334   41.116  7.9026  43.490  4.9531  -2.373775      9.326500 
1 1 1 -16 -32 10 o 22.960  5.6476  69.225     31.246   32.713     60.138   82.727     36.570   20.158  8.0808  25.022  6.0826  -4.863615      10.11423 
1 1 1 -16 -32 11 o 49.670  5.1267  312.587    60.897   304.336    82.854   322.282    89.809   47.970  7.3527  49.152  7.7901  -1.181496      10.71210 
1 1 1 -16 -32 12 o 121.947 6.0087  1888.22    177.792  2029.11    288.683  1802.12    225.669  121.660 9.8642  116.936 8.0016  4.724602       12.70156 
1 1 1 -16 -32 13 o 43.566  7.1853  250.341    73.307   222.224    140.592  260.840    85.910   38.634  12.837  43.901  8.3706  -5.266979      15.32470 
1 1 1 -16 -32 14 o 43.943  7.2499  254.606    74.604   303.813    141.601  235.698    87.775   45.016  12.513  41.409  8.9935  3.607140       15.40935 
1 1 1 -16 -32 15 o 44.958  7.0911  265.086    74.790   208.829    136.645  289.148    89.364   37.822  12.658  46.427  8.2344  -8.604710      15.10025 
1 1 1 -16 -32 16 o 70.239  3.7519  610.080    63.711   572.123    105.897  631.612    79.760   66.691  6.6321  71.115  4.6479  -4.424728      8.098635 
1 1 1 -16 -32 17 o 28.121  5.4826  102.354    36.066   -26.5683   66.966   155.028    42.804   16.948  7.6535  34.856  5.2218  -17.90849      9.265204 
1 1 1 -16 -32 18 o 29.043  5.5356  109.061    37.586   89.961     68.148   117.411    45.059   26.508  8.9385  29.906  6.4029  -3.397463      10.99511 
1 1 1 -16 -32 19 o 25.048  6.0548  82.220     36.392   93.040     64.602   77.190     44.046   26.735  8.6929  24.265  7.0572  2.470312       11.19688 
1 1 1 -16 -32 20 o 61.324  4.2561  467.376    62.936   463.555    106.836  469.407    77.885   59.594  7.5582  61.057  5.3101  -1.463085      9.237090 
1 1 1 -16 -32 21 o 54.654  4.3971  372.207    57.818   306.778    100.569  404.510    70.664   47.612  9.0359  56.704  5.1937  -9.091885      10.42215 
1 1 1 -16 -32 22 o 50.546  5.1322  321.699    62.072   274.677    138.570  333.503    69.427   43.303  12.495  51.271  5.6760  -7.968334      13.72417 
1 1 1 -16 -32 23 o 24.124  8.9860  64.009     70.422   0.0000     0.0000   64.009     70.422   ?       ?       24.124  8.9860  0.000000       8.985954 
1 1 1 -16 -32 24 o 80.589  5.6000  817.754    108.823  825.932    182.234  813.222    135.669  78.165  9.8255  79.493  7.1087  -1.327972      12.12747 
1 1 1 -16 -32 25 o 25.782  8.5961  84.582     63.027   -62.6944   119.056  141.928    74.291   21.483  9.8923  32.287  9.0949  -10.80315      13.43777 
1 1 1 -16 -32 26 o 54.773  6.4484  384.634    84.059   374.596    149.319  389.291    101.706  50.770  12.260  54.385  7.9414  -3.615494      14.60707 
1 1 1 -16 -32 27 o 58.784  7.9777  454.303    110.849  454.303    110.849  0.0000     0.0000   58.784  7.9777  ?       ?       0.000000       7.977726 
1 1 1 -16 -32 28 o 53.075  8.4484  375.142    105.153  375.142    105.153  0.0000     0.0000   53.075  8.4484  ?       ?       0.000000       8.448413 
1 1 1 -16 -32 29 o 34.595  10.091  166.189    89.932   166.189    89.932   0.0000     0.0000   34.595  10.091  ?       ?       0.000000       10.09059 
1 1 1 -16 -32 30 o 33.480  6.7594  147.434    53.019   10.662     93.323   212.618    64.426   22.239  9.5691  40.350  6.8238  -18.11091      11.75297 
1 1 1 -16 -32 31 o 18.687  6.5259  40.559     36.412   16.885     87.406   45.530     40.053   21.999  9.3575  19.676  6.8459  2.322697       11.59439 
1 1 1 -16 -32 32 o 69.213  4.0577  594.247    67.847   682.557    121.550  554.281    81.771   72.693  6.9770  66.407  5.1142  6.285934       8.650590 
1 1 1 -16 -32 33 o 34.011  5.6076  148.961    44.664   131.400    98.207   153.540    50.150   31.267  10.729  34.317  6.2531  -3.050594      12.41809 
1 1 1 -16 -32 34 o 38.933  5.1823  192.876    47.740   156.442    99.224   203.850    54.458   33.449  10.764  39.817  5.8077  -6.368294      12.23069 
1 1 1 -16 -32 35 o 50.912  4.5966  325.132    56.171   372.237    110.006  308.519    65.329   52.289  8.9949  49.210  5.5694  3.079182       10.57947 
1 1 1 -16 -32 36 o 121.018 4.1347  1815.45    121.412  2096.77    198.226  1646.56    153.593  128.191 6.3729  114.288 5.5387  13.90322       8.443431 
1 1 1 -16 -32 37 o 42.340  5.0124  227.371    50.494   282.602    109.993  212.623    56.837   44.519  10.375  40.572  5.9504  3.947491       11.95994 
1 1 1 -16 -32 38 o 22.860  6.5808  68.793     38.477   107.166    93.844   61.039     42.185   28.860  10.436  21.834  7.0176  7.025888       12.57572 
1 1 1 -16 -32 39 o 35.658  8.5556  175.326    73.077   0.0000     0.0000   175.326    73.077   ?       ?       35.658  8.5556  0.000000       8.555613 
1 1 1 -16 -32 40 f 27.852  8.6313  105.212    64.359   0.0000     0.0000   105.212    64.359   ?       ?       27.852  8.6313  0.000000       8.631299 
1 1 1 -16 -32 41 o 45.567  8.1049  280.960    86.327   0.0000     0.0000   280.960    86.327   ?       ?       45.567  8.1049  0.000000       8.104893 
1 1 1 -16 -32 42 o 19.704  6.7021  47.594     38.317   114.965    99.115   35.756     41.547   29.516  10.717  18.451  6.8962  11.06542       12.74383 
1 1 1 -16 -32 43 o 31.083  6.7146  129.097    49.161   -13.2114   116.543  159.900    54.221   22.808  10.215  34.691  6.6839  -11.88275      12.20744 
1 1 1 -16 -32 44 o 42.432  5.0974  229.886    51.431   220.838    91.919   234.010    62.054   39.250  9.7061  42.318  6.2299  -3.067783      11.53345 
1 1 1 -16 -32 45 o 27.640  6.5693  102.576    43.409   176.643    83.074   74.757     50.912   35.078  9.5180  23.799  7.7157  11.27946       12.25249 
1 1 1 -16 -32 46 o 27.284  8.0678  102.644    57.142   88.017     118.936  107.033    65.154   28.040  11.320  27.787  8.6965  0.2526760      14.27524 
1 1 1 -16 -32 47 o 63.899  5.8944  528.825    90.360   682.294    168.891  467.277    106.955  68.356  10.520  58.779  7.6831  9.577339       13.02698 
1 1 1 -16 -32 48 o 48.212  6.8254  310.433    77.615   280.095    149.013  321.728    90.921   40.858  13.195  48.280  8.0444  -7.422203      15.45405 
1 1 1 -16 -32 49 o 59.931  4.4245  454.482    63.885   641.190    118.395  377.792    75.879   69.071  7.1688  53.748  5.9163  15.32310       9.294795 
1 1 1 -16 -32 50 o 41.998  5.3148  229.284    52.948   265.469    109.160  218.152    60.548   41.341  10.773  40.373  6.3938  0.9679756      12.52778 
1 1 1 -16 -32 51 o 14.264  6.1295  3.0234     38.198   -20.4341   86.119   8.7688     42.620   18.937  8.6028  15.469  6.5552  3.468022       10.81570 
1 1 1 -16 -32 52 o 46.996  5.0939  286.534    57.158   278.680    110.430  289.407    66.802   41.906  10.794  46.640  6.0451  -4.734482      12.37178 
1 1 1 -16 -32 53 o 14.693  6.2909  5.4006     39.975   67.785     90.855   -9.5754    44.515   24.245  9.8565  14.194  6.3382  10.05136       11.71854 
1 1 1 -16 -32 54 o 20.414  7.7863  49.390     53.581   61.255     120.145  46.444     59.864   25.133  10.836  20.572  8.1221  4.560408       13.54188 
1 1 1 -16 -32 55 o 27.600  8.2484  112.522    59.491   253.810    127.101  72.885     67.320   37.643  12.190  23.351  8.7685  14.29155       15.01575 
1 1 1 -16 -32 56 o 18.075  7.8141  13.103     62.823   -141.0432  114.313  79.806     75.197   17.197  8.3905  24.191  9.2247  -6.993845      12.46982 
1 1 1 -16 -32 57 o 44.323  10.515  317.739    111.374  0.0000     0.0000   317.739    111.374  ?       ?       44.323  10.515  0.000000       10.51462 
1 1 1 -16 -32 58 o 18.423  7.9692  14.462     65.423   30.319     144.641  10.383     73.356   24.648  11.178  18.937  8.3108  5.710180       13.92935 
1 1 1 -16 -32 59 o 10.572  5.1847  -80.1328   45.336   -84.4110   118.440  -79.3983   49.074   19.098  9.1205  11.230  5.4832  7.867711       10.64185 
1 1 1 -16 -32 60 o 12.868  6.0007  -32.6364   45.956   -247.9123  121.728  3.1459     49.628   15.644  7.8128  15.792  6.8853  -0.1478062     10.41381 
1 1 1 -16 -32 61 f 30.507  14.733  85.628     329.748  85.628     329.748  0.0000     0.0000   30.507  14.733  ?       ?       0.000000       14.73348 
1 1 1 -16 -32 62 o 20.236  8.9731  13.301     87.640   91.867     320.776  6.9630     91.106   30.088  14.531  20.183  9.0361  9.904558       17.11158 
1 1 1 -16 -32 63 o 26.110  10.521  101.712    102.520  367.962    333.501  73.926     107.737  34.435  16.094  24.547  10.413  9.887747       19.16902 
1 1 1 -16 -31 1  o 50.345  3.9726  316.945    48.134   408.676    92.925   283.308    56.271   55.568  7.0507  47.175  4.9918  8.392780       8.638907 
1 1 1 -16 -31 2  o 11.610  4.6618  8.6116     20.050   -94.3596   61.351   20.925     21.215   12.900  6.2604  13.852  4.9677  -0.9528551     7.991901 
1 1 1 -16 -31 3  o 17.695  5.8432  38.611     29.148   75.996     72.750   31.462     31.813   25.006  9.1657  16.839  6.0780  8.166189       10.99782 
1 1 1 -16 -31 4  o 28.436  5.9227  106.328    39.538   287.376    181.214  97.278     40.514   42.042  14.565  27.072  6.2880  14.97001       15.86471 
1 1 1 -16 -31 5  o 47.949  4.0382  287.053    46.545   346.901    88.496   264.166    54.727   51.216  7.3303  45.631  5.0262  5.584740       8.887942 
1 1 1 -16 -31 6  o 19.810  5.7996  50.837     29.659   100.149    70.671   40.294     32.676   27.434  9.1004  18.262  6.1893  9.171570       11.00564 
1 1 1 -16 -31 7  o 47.694  3.9652  283.505    45.471   163.248    80.673   339.502    55.049   34.131  9.4288  52.068  4.3984  -17.93752      10.40430 
1 1 1 -16 -31 8  o 71.293  3.7037  629.151    63.849   611.091    108.396  638.746    79.010   68.820  6.5712  71.464  4.5806  -2.644234      8.010150 
1 1 1 -16 -31 9  o 34.834  4.5986  153.509    37.918   99.297     68.261   177.702    45.600   27.375  8.9373  37.331  5.1733  -9.955978      10.32659 
1 1 1 -16 -31 10 o 124.038 3.9850  1902.88    119.935  1932.47    189.331  1883.04    155.000  123.054 6.3628  122.562 5.2121  0.4923172      8.225047 
1 1 1 -16 -31 11 o 127.586 3.9984  2012.45    123.780  2116.82    194.414  1941.30    160.518  129.167 6.2032  124.421 5.3170  4.745949       8.170061 
1 1 1 -16 -31 12 o 27.936  5.3370  100.764    34.858   70.536     63.890   113.576    41.594   24.247  8.6287  29.500  6.0147  -5.253468      10.51812 
1 1 1 -16 -31 13 o 14.784  6.6688  -21.5851   50.674   44.186     114.703  -37.5345   56.485   26.053  10.879  14.776  6.8076  11.27710       12.83356 
1 1 1 -16 -31 14 o 115.891 5.8665  1694.38    164.428  1826.36    263.335  1610.05    210.507  116.967 9.3569  111.303 7.8449  5.664513       12.21035 
1 1 1 -16 -31 15 o 35.191  8.0113  166.060    66.872   222.579    123.174  142.439    79.630   39.399  11.890  32.317  9.5148  7.082203       15.22839 
1 1 1 -16 -31 16 o 78.228  5.7680  771.664    108.711  710.750    179.314  807.065    136.698  71.990  10.581  79.198  7.1919  -7.208496      12.79401 
1 1 1 -16 -31 17 o 55.620  3.9115  382.897    52.453   489.720    89.672   327.337    64.670   62.147  6.0222  50.972  5.3067  11.17533       8.026679 
1 1 1 -16 -31 18 o 79.421  3.7576  775.934    72.411   687.260    117.024  830.949    92.177   73.421  6.6408  81.760  4.6657  -8.339195      8.115997 
1 1 1 -16 -31 19 o 80.583  3.7694  798.679    73.702   766.215    119.338  818.697    93.709   77.716  6.3850  81.120  4.7821  -3.403358      7.977221 
1 1 1 -16 -31 20 o 74.203  3.7473  678.635    67.251   761.083    110.439  630.045    84.782   77.718  5.9005  71.076  4.9469  6.642052       7.699837 
1 1 1 -16 -31 21 o 65.783  4.0984  535.302    65.092   512.435    108.907  548.011    81.190   63.092  7.2455  66.220  5.0920  -3.127987      8.855812 
1 1 1 -16 -31 22 o 35.004  5.9358  157.371    48.614   165.888    88.707   153.715    58.119   34.848  9.9807  34.184  7.2327  0.6643181      12.32586 
1 1 1 -16 -31 23 o 88.574  3.9353  965.598    84.577   1018.28    137.076  933.217    107.473  89.747  6.3354  86.499  5.1438  3.247673       8.160654 
1 1 1 -16 -31 24 o 89.402  5.6141  1001.79    121.166  1094.26    198.206  946.615    153.105  91.176  9.0801  85.879  7.4204  5.296974       11.72647 
1 1 1 -16 -31 25 o 27.006  8.9019  92.985     67.661   71.023     122.351  102.660    81.208   28.507  11.491  28.513  9.7567  -0.6784439E-02 15.07463 
1 1 1 -16 -31 26 o 67.553  10.830  624.865    171.522  624.865    171.522  0.0000     0.0000   67.553  10.830  ?       ?       0.000000       10.83019 
1 1 1 -16 -31 27 o 79.152  10.252  845.554    192.262  845.554    192.262  0.0000     0.0000   79.152  10.252  ?       ?       0.000000       10.25159 
1 1 1 -16 -31 28 o 97.550  6.6239  1208.30    155.856  1208.30    155.856  0.0000     0.0000   97.550  6.6239  ?       ?       0.000000       6.623904 
1 1 1 -16 -31 29 o 78.375  4.2075  760.275    79.721   798.533    125.367  734.302    103.297  79.219  6.5817  76.437  5.6087  2.782410       8.647329 
1 1 1 -16 -31 30 o 55.037  4.2812  376.375    56.722   432.545    105.437  353.499    67.288   57.582  7.7427  52.993  5.3042  4.588306       9.385351 
1 1 1 -16 -31 31 o 75.927  4.0200  712.906    73.796   869.972    130.068  638.345    89.616   82.660  6.5384  71.374  5.2107  11.28611       8.360779 
1 1 1 -16 -31 32 f 31.352  5.8943  127.229    43.193   93.398     91.253   136.997    49.034   27.998  10.265  32.384  6.4667  -4.385622      12.13210 
1 1 1 -16 -31 33 o 109.912 4.0464  1491.60    107.915  1616.82    177.036  1417.56    136.130  112.732 6.4997  106.507 5.2676  6.224281       8.366236 
1 1 1 -16 -31 34 o 11.964  5.4489  -19.9607   34.830   -15.3420   85.423   -20.8817   38.145   19.940  8.8497  12.570  5.7160  7.370597       10.53516 
1 1 1 -16 -31 35 o 40.236  4.9379  204.618    47.196   224.567    105.034  199.572    52.830   39.781  10.664  39.480  5.6783  0.3013802      12.08150 
1 1 1 -16 -31 36 o 134.496 4.1759  2239.58    136.276  2672.66    217.055  1957.79    175.086  145.219 6.1600  124.599 5.7912  20.62008       8.454828 
1 1 1 -16 -31 37 o 122.931 4.1099  1870.80    122.591  2160.71    198.585  1692.30    155.827  130.386 6.2770  115.977 5.5374  14.40929       8.370381 
1 1 1 -16 -31 38 o 20.976  7.0106  54.560     41.918   0.0000     0.0000   54.560     41.918   ?       ?       20.976  7.0106  0.000000       7.010623 
1 1 1 -16 -31 39 o 65.027  7.4686  554.751    115.701  0.0000     0.0000   554.751    115.701  ?       ?       65.027  7.4686  0.000000       7.468557 
1 1 1 -16 -31 40 o 45.565  8.0141  278.778    85.368   0.0000     0.0000   278.778    85.368   ?       ?       45.565  8.0141  0.000000       8.014111 
1 1 1 -16 -31 41 o 25.037  8.0921  82.092     56.034   90.827     128.845  80.055     62.227   29.338  11.804  25.030  8.5408  4.307629       14.57013 
1 1 1 -16 -31 42 o 52.644  4.5418  347.881    57.447   545.449    127.470  297.528    64.352   63.664  8.4615  48.232  5.6032  15.43161       10.14854 
1 1 1 -16 -31 43 o 37.588  5.2718  180.990    46.758   167.855    87.729   186.202    55.261   34.351  9.9510  37.750  6.2518  -3.399200      11.75190 
1 1 1 -16 -31 44 o 41.346  5.0290  217.633    49.413   159.105    93.449   240.348    58.218   33.345  10.412  43.206  5.6919  -9.860970      11.86594 
1 1 1 -16 -31 45 o 20.665  6.9473  53.426     41.166   45.317     82.560   56.108     47.491   23.133  9.3991  21.394  7.4539  1.739202       11.99605 
1 1 1 -16 -31 46 o 49.186  4.7637  306.263    56.139   399.803    103.462  267.231    66.833   54.316  8.0978  45.242  6.2556  9.074654       10.23264 
1 1 1 -16 -31 47 o 39.374  7.4434  209.968    68.507   248.943    143.551  198.474    77.957   39.466  12.964  37.576  8.7187  1.890125       15.62327 
1 1 1 -16 -31 48 o 56.588  6.3078  418.846    85.135   181.168    161.787  509.863    100.117  34.615  13.444  62.178  6.7442  -27.56290      15.04073 
1 1 1 -16 -31 49 o 60.031  4.4569  455.144    64.457   325.000    118.350  510.026    76.855   46.481  10.713  63.218  5.0526  -16.73673      11.84509 
1 1 1 -16 -31 50 o 69.709  4.3640  613.205    73.441   630.784    130.872  605.125    88.729   67.632  8.1384  68.570  5.3760  -0.9384918     9.753713 
1 1 1 -16 -31 51 o 65.713  4.4940  547.611    71.225   721.543    128.368  470.249    85.612   72.963  7.3510  59.891  5.9708  13.07176       9.470349 
1 1 1 -16 -31 52 f 23.409  7.2008  75.239     44.888   72.735     93.330   75.993     51.199   25.036  10.056  23.578  7.7422  1.457718       12.69114 
1 1 1 -16 -31 53 o 18.334  6.9707  36.773     42.859   175.073    93.254   -0.2623    48.257   33.414  10.396  15.501  6.7733  17.91295       12.40742 
1 1 1 -16 -31 54 o 20.681  7.8056  51.220     53.491   -98.6264   118.881  89.259     59.897   18.969  9.0803  25.071  8.3802  -6.101955      12.35641 
1 1 1 -16 -31 55 o 17.537  7.3750  18.417     53.290   134.271    113.451  -14.3806   60.364   29.346  11.297  16.109  7.2715  13.23696       13.43471 
1 1 1 -16 -31 56 o 17.282  7.4260  11.628     56.063   120.770    122.882  -17.0622   63.002   28.449  11.499  16.253  7.3738  12.19543       13.66036 
1 1 1 -16 -31 57 o 37.076  10.762  226.756    102.512  0.0000     0.0000   226.756    102.512  ?       ?       37.076  10.762  0.000000       10.76151 
1 1 1 -16 -31 58 o 20.821  8.4773  43.716     67.337   9.3550     146.176  52.972     75.865   24.114  11.051  22.116  9.0007  1.997648       14.25231 
1 1 1 -16 -31 59 o 19.148  7.6170  37.436     53.020   -148.8059  127.171  76.620     58.332   18.188  8.8687  23.471  8.2563  -5.282995      12.11690 
1 1 1 -16 -31 60 o 21.270  8.1671  54.783     59.197   168.335    136.897  28.666     65.653   31.401  12.319  19.542  8.2004  11.85858       14.79869 
1 1 1 -16 -31 61 o 15.924  7.6246  -81.0689   83.926   305.121    311.213  -111.3566  87.155   35.307  16.160  15.316  7.4398  19.99048       17.78994 
1 1 1 -16 -31 62 o 27.097  10.319  110.977    94.013   -80.7573   356.722  125.288    97.458   28.652  14.146  28.234  10.560  0.4178600      17.65300 
1 1 1 -16 -31 63 o 23.270  9.7832  59.422     93.729   431.738    332.715  27.328     97.686   36.619  16.741  21.670  9.5478  14.94938       19.27224 
1 1 1 -16 -30 1  o 71.442  3.7430  633.130    64.658   784.983    116.513  565.554    77.724   78.134  6.1965  67.029  4.8109  11.10438       7.844847 
1 1 1 -16 -30 2  o 21.097  5.8823  58.283     31.243   125.004    71.219   42.382     34.767   30.087  9.0324  18.727  6.3841  11.36076       11.06074 
1 1 1 -16 -30 3  o 44.573  4.1555  248.543    44.425   264.384    90.708   243.544    50.954   43.860  8.8289  43.875  4.8683  -0.1435089E-01 10.08218 
1 1 1 -16 -30 4  o 52.800  3.8743  346.551    49.288   381.707    91.368   332.121    58.536   53.951  7.1562  51.374  4.7496  2.576973       8.588904 
1 1 1 -16 -30 5  o 44.744  4.0708  249.904    43.711   302.728    87.201   232.176    50.517   47.658  7.8116  42.825  4.9529  4.832600       9.249434 
1 1 1 -16 -30 6  o 56.621  3.7392  397.324    51.082   465.954    89.600   364.275    62.177   60.271  6.2160  53.832  4.8109  6.439110       7.860240 
1 1 1 -16 -30 7  o 70.984  3.7151  623.085    63.765   569.486    108.109  651.679    78.962   66.393  6.8071  72.271  4.5257  -5.878448      8.174253 
1 1 1 -16 -30 8  o 34.427  4.6471  149.861    37.828   219.018    69.338   120.555    45.136   40.734  7.2827  30.307  6.3415  10.42668       9.656697 
1 1 1 -16 -30 9  o 73.203  3.6823  661.671    65.197   716.360    109.677  631.785    81.077   75.076  6.0727  71.126  4.7248  3.950722       7.694274 
1 1 1 -16 -30 10 o 10.055  4.5309  -11.1620   23.318   -8.0816    49.744   -12.0295   26.398   15.579  6.8402  10.737  4.8310  4.842085       8.374142 
1 1 1 -16 -30 11 o 14.827  5.7325  18.684     29.313   176.355    56.943   -38.1602   34.191   36.795  6.6216  10.615  5.0205  26.17933       8.309660 
1 1 1 -16 -30 12 o 10.967  4.8698  -8.4494    25.901   27.505     51.036   -20.9229   30.060   18.840  7.4799  10.863  4.9904  7.976981       8.991876 
1 1 1 -16 -30 13 o 40.498  4.3348  204.824    41.934   194.994    74.220   209.434    50.823   38.190  8.2506  40.685  5.2723  -2.495689      9.791274 
1 1 1 -16 -30 14 o 117.858 5.8021  1739.26    165.925  1836.92    262.584  1674.34    214.081  118.067 9.2396  114.012 7.7852  4.054955       12.08217 
1 1 1 -16 -30 15 o 48.615  6.5977  302.949    75.816   211.745    131.971  347.877    92.626   38.843  12.405  51.724  7.6076  -12.88083      14.55162 
1 1 1 -16 -30 16 o 111.242 5.7478  1549.58    154.612  1553.01    244.664  1547.29    199.495  108.626 9.3745  109.954 7.5227  -1.327896      12.01965 
1 1 1 -16 -30 17 o 164.986 6.5105  3425.03    260.631  3406.40    392.352  3439.75    348.676  160.262 10.142  162.679 8.8668  -2.417435      13.47154 
1 1 1 -16 -30 18 o 141.279 4.1472  2457.21    142.164  2442.62    216.898  2468.20    188.236  139.458 6.4098  140.814 5.5093  -1.355576      8.452088 
1 1 1 -16 -30 19 o 61.715  3.8407  469.543    57.228   560.582    96.524   420.195    71.065   66.717  6.0277  58.012  5.1005  8.705582       7.896048 
1 1 1 -16 -30 20 o 67.725  3.7840  564.745    61.933   519.797    102.436  590.641    77.753   63.969  6.6990  69.004  4.6714  -5.035000      8.166949 
1 1 1 -16 -30 21 o 23.193  6.2567  69.630     36.020   80.707     64.466   64.603     43.433   25.654  8.6935  22.646  7.1025  3.008518       11.22596 
1 1 1 -16 -30 22 o 81.142  3.9577  808.958    77.920   789.200    128.160  820.545    98.142   78.944  6.7557  81.272  5.0011  -2.328430      8.405386 
1 1 1 -16 -30 23 o 14.160  6.1970  -7.2122    40.537   -59.6941   76.455   13.311     47.811   16.789  7.7995  17.159  7.0824  -0.3696003     10.53535 
1 1 1 -16 -30 24 o 79.257  3.9899  773.842    76.484   858.521    124.685  722.756    96.846   82.597  6.2681  76.158  5.2733  6.439178       8.191307 
1 1 1 -16 -30 25 o 33.271  12.117  135.518    126.846  135.518    126.846  0.0000     0.0000   33.271  12.117  ?       ?       0.000000       12.11695 
1 1 1 -16 -30 26 o 69.865  10.663  658.044    175.034  658.044    175.034  0.0000     0.0000   69.865  10.663  ?       ?       0.000000       10.66307 
1 1 1 -16 -30 27 o 66.238  11.135  598.395    172.608  598.395    172.608  0.0000     0.0000   66.238  11.135  ?       ?       0.000000       11.13475 
1 1 1 -16 -30 28 o 148.905 6.2332  2779.33    225.210  2704.39    346.984  2833.88    296.038  142.976 10.066  148.385 8.2550  -5.408890      13.01816 
1 1 1 -16 -30 29 o 161.749 4.4489  3228.90    174.605  3467.78    267.017  3050.45    230.785  165.912 6.6328  156.058 6.0948  9.853607       9.007776 
1 1 1 -16 -30 30 o 102.007 3.9525  1280.03    97.828   1272.48    160.051  1284.54    123.606  100.278 6.6151  101.764 5.0059  -1.486351      8.295683 
1 1 1 -16 -30 31 o 41.714  4.9192  218.560    48.833   235.347    99.321   213.208    56.079   41.433  9.9948  40.924  5.8108  0.5093422      11.56122 
1 1 1 -16 -30 32 o 116.763 4.0232  1679.39    113.984  1873.69    183.405  1557.11    145.494  121.920 6.2204  111.778 5.3644  10.14193       8.214044 
1 1 1 -16 -30 33 o 43.134  4.7956  233.416    49.341   323.606    97.812   202.632    57.145   49.390  8.4666  39.736  6.1236  9.653641       10.44898 
1 1 1 -16 -30 34 o 14.486  5.9484  10.070     33.508   37.295     87.780   5.4267     36.253   23.516  9.6386  14.480  6.0859  9.036199       11.39914 
1 1 1 -16 -30 35 o 18.921  6.5217  42.014     36.308   94.466     88.105   31.284     39.849   27.940  10.110  17.879  6.7398  10.06092       12.15072 
1 1 1 -16 -30 36 o 11.574  5.2873  -20.3682   33.113   -32.6520   89.361   -18.4130   35.651   19.539  8.8309  12.255  5.5547  7.284307       10.43260 
1 1 1 -16 -30 37 o 72.821  4.8993  663.334    86.065   0.0000     0.0000   663.334    86.065   ?       ?       72.821  4.8993  0.000000       4.899308 
1 1 1 -16 -30 38 o 28.832  6.7680  110.085    46.536   0.0000     0.0000   110.085    46.536   ?       ?       28.832  6.7680  0.000000       6.767960 
1 1 1 -16 -30 39 o 67.369  4.9949  569.747    81.068   0.0000     0.0000   569.747    81.068   ?       ?       67.369  4.9949  0.000000       4.994948 
1 1 1 -16 -30 40 o 51.784  6.7487  348.070    82.781   598.980    152.980  244.179    98.439   66.000  9.8547  41.730  9.8756  24.26958       13.95144 
1 1 1 -16 -30 41 o 44.116  6.3717  252.292    66.229   166.570    109.952  301.103    82.969   34.322  11.350  47.771  7.3970  -13.44865      13.54721 
1 1 1 -16 -30 42 o 50.881  6.2716  333.919    75.790   290.253    124.942  359.341    95.332   44.502  11.491  52.013  7.7938  -7.510559      13.88492 
1 1 1 -16 -30 43 o 48.996  4.3473  300.556    51.146   345.980    89.334   278.407    62.381   51.193  7.4072  46.660  5.6232  4.533039       9.299878 
1 1 1 -16 -30 44 o 16.743  6.5002  24.826     37.810   -13.8156   80.846   35.644     42.777   19.314  8.5888  18.605  6.9890  0.7088757      11.07308 
1 1 1 -16 -30 45 o 80.964  4.0782  815.530    79.860   1008.01    136.516  715.398    98.465   88.480  6.4021  75.092  5.4410  13.38807       8.401872 
1 1 1 -16 -30 46 o 23.497  6.9041  73.256     41.964   99.910     85.523   64.803     48.160   27.763  9.9722  22.531  7.5143  5.232210       12.48636 
1 1 1 -16 -30 47 o 20.860  7.7893  48.085     52.980   -86.5402   115.331  84.092     59.645   19.804  9.3217  25.222  8.3601  -5.417828      12.52139 
1 1 1 -16 -30 48 o 20.073  7.8924  37.785     56.309   50.464     116.272  33.900     64.359   25.785  10.871  20.518  8.3122  5.266781       13.68504 
1 1 1 -16 -30 49 o 21.143  8.0604  48.468     57.404   76.329     118.766  39.975     65.572   27.251  11.195  21.069  8.4408  6.182693       14.02086 
1 1 1 -16 -30 50 o 22.309  7.1850  65.816     44.205   144.273    92.509   42.601     50.322   31.343  10.413  19.881  7.5546  11.46264       12.86448 
1 1 1 -16 -30 51 o 55.360  4.6538  389.576    61.933   499.259    116.434  346.299    73.137   60.061  8.2041  51.428  5.9723  8.633469       10.14771 
1 1 1 -16 -30 52 o 31.835  6.6887  138.082    50.024   202.883    100.607  116.799    57.657   36.148  10.709  28.713  7.9856  7.435181       13.35871 
1 1 1 -16 -30 53 o 43.917  5.3418  251.225    55.750   328.080    109.662  224.439    64.741   46.704  9.9798  40.644  6.8053  6.060120       12.07931 
1 1 1 -16 -30 54 o 61.488  5.2811  490.598    78.027   590.429    151.056  454.267    91.126   62.301  10.356  58.141  6.5750  4.159405       12.26709 
1 1 1 -16 -30 55 o 31.567  8.8444  148.652    70.453   42.631     267.128  156.578    73.039   29.870  14.098  32.311  8.9885  -2.441429      16.71977 
1 1 1 -16 -30 56 o 42.623  6.6511  248.289    66.541   295.420    138.689  234.195    75.840   40.557  12.687  40.381  8.0231  0.1763725      15.01126 
1 1 1 -16 -30 57 o 20.875  8.5312  42.273     68.520   95.193     144.864  27.021     77.770   27.743  11.930  20.527  8.7813  7.215868       14.81299 
1 1 1 -16 -30 58 o 15.594  7.1948  -30.6543   63.435   68.627     142.524  -55.1806   70.839   26.434  11.593  15.402  7.2665  11.03202       13.68187 
1 1 1 -16 -30 59 o 19.174  7.7157  35.288     55.054   316.704    134.583  -21.2680   60.333   42.424  12.335  15.699  7.1582  26.72529       14.26188 
1 1 1 -16 -30 60 o 19.485  8.0119  32.633     60.892   148.298    141.953  6.5509     67.408   30.461  12.343  18.242  7.9870  12.21923       14.70177 
1 1 1 -16 -30 61 f 15.078  7.2834  -96.5277   80.674   0.0068     311.072  -103.4886  83.532   29.576  14.290  15.191  7.3564  14.38464       16.07266 
1 1 1 -16 -30 62 o 22.288  9.5229  40.695     91.259   97.478     324.420  35.816     95.099   31.127  14.927  22.257  9.6180  8.869820       17.75700 
1 1 1 -16 -30 63 o 22.397  9.5481  45.014     91.372   96.577     363.361  41.534     94.406   30.945  15.068  22.375  9.6261  8.569790       17.88007 
1 1 1 -16 -30 64 o 35.761  10.863  220.629    102.564  -21.3785   382.173  239.412    106.470  28.895  14.333  37.138  11.020  -8.242952      18.07969 
1 1 1 -16 -29 1  o 43.415  4.0607  235.452    42.280   235.828    84.856   235.327    48.764   41.476  8.7091  43.186  4.7311  -1.709641      9.911189 
1 1 1 -16 -29 2  o 57.915  3.8138  416.085    53.294   459.131    100.650  399.314    62.824   59.299  7.1387  56.439  4.6283  2.860085       8.507714 
1 1 1 -16 -29 3  o 90.280  3.7799  1006.24    82.801   1048.68    141.389  984.095    102.150  90.459  6.4847  88.714  4.7629  1.745285       8.045886 
1 1 1 -16 -29 4  o 5.4688  2.7565  -54.3555   17.021   -105.3466  58.083   -49.5650   17.803   12.086  5.9147  5.8908  2.9487  6.194853       6.608931 
1 1 1 -16 -29 5  o 71.011  3.6437  622.792    62.570   677.637    107.630  594.794    76.900   72.926  6.1397  69.023  4.6183  3.903610       7.682740 
1 1 1 -16 -29 6  o 76.343  4.3509  724.341    80.262   795.388    114.585  655.904    112.460  79.175  6.0094  71.564  6.5491  7.610992       8.888400 
1 1 1 -16 -29 7  o 42.958  4.3088  230.529    44.307   230.983    89.636   230.382    50.969   41.091  9.2173  42.731  5.0110  -1.640491      10.49139 
1 1 1 -16 -29 8  o 70.460  3.6897  612.453    62.861   582.400    105.640  628.927    78.216   67.529  6.5287  71.097  4.5580  -3.568573      7.962367 
1 1 1 -16 -29 9  o 22.871  5.7065  68.024     31.565   41.272     59.187   78.657     37.315   21.077  8.1466  24.526  6.2518  -3.448580      10.26898 
1 1 1 -16 -29 10 o 35.267  4.5046  156.165    37.667   147.805    68.241   159.828    45.171   33.166  8.4545  35.426  5.4280  -2.259655      10.04701 
1 1 1 -16 -29 11 o 33.307  4.7042  139.855    36.960   149.323    66.350   135.596    44.503   33.426  8.2346  32.466  5.8653  0.9600792      10.10992 
1 1 1 -16 -29 12 f 86.931  3.6916  927.894    77.868   880.286    126.274  957.106    98.913   83.525  6.2765  87.865  4.6562  -4.339096      7.815015 
1 1 1 -16 -29 13 o 104.171 3.8179  1332.89    96.501   1208.75    152.696  1415.45    124.520  97.896  6.4647  106.969 4.7975  -9.073280      8.050394 
1 1 1 -16 -29 14 o 40.621  4.3179  205.433    41.907   176.368    72.525   220.001    51.346   36.425  8.3803  41.831  5.1687  -5.406677      9.846024 
1 1 1 -16 -29 15 o 75.840  5.7002  719.533    104.128  558.092    171.926  813.060    130.859  63.833  11.524  80.151  6.7926  -16.31803      13.37716 
1 1 1 -16 -29 16 o 75.605  5.6817  714.441    103.469  587.460    168.389  791.467    131.148  65.990  10.897  79.060  6.9059  -13.07027      12.90095 
1 1 1 -16 -29 17 o 22.173  8.1233  52.388     57.134   -89.4334   100.935  119.250    69.305   18.778  8.8009  30.139  8.8774  -11.36142      12.50061 
1 1 1 -16 -29 18 o 30.092  8.1688  119.104    61.176   30.933     109.047  159.599    73.901   25.395  10.606  34.652  8.7791  -9.256615      13.76829 
1 1 1 -16 -29 19 f 31.266  5.3522  124.234    39.144   95.393     69.900   137.411    47.247   27.578  9.0460  32.708  6.1798  -5.130476      10.95533 
1 1 1 -16 -29 20 f 45.364  4.3595  255.266    47.395   282.549    81.062   241.096    58.420   46.862  7.3727  43.752  5.6339  3.109341       9.278839 
1 1 1 -16 -29 21 o 47.444  4.2193  278.606    48.065   225.953    82.903   305.267    58.992   41.432  8.5307  49.495  4.9797  -8.062908      9.877747 
1 1 1 -16 -29 22 f 100.627 3.8355  1241.13    93.648   1057.76    147.310  1365.50    121.318  91.738  6.6633  105.262 4.7500  -13.52369      8.183052 
1 1 1 -16 -29 23 o 106.127 4.0062  1381.80    103.163  1197.99    162.229  1506.59    133.671  97.538  6.8993  110.479 4.9865  -12.94112      8.512656 
1 1 1 -16 -29 24 o 47.247  8.7794  293.213    96.943   293.213    96.943   0.0000     0.0000   47.247  8.7794  ?       ?       0.000000       8.779424 
1 1 1 -16 -29 25 o 33.388  9.9657  147.652    86.882   147.652    86.882   0.0000     0.0000   33.388  9.9657  ?       ?       0.000000       9.965674 
1 1 1 -16 -29 26 o 26.061  9.0627  80.607     70.187   84.303     125.993  78.943     84.515   29.999  11.802  26.822  9.8719  3.176882       15.38671 
1 1 1 -16 -29 27 o 40.034  8.7693  212.449    82.828   139.955    142.193  249.679    101.900  34.425  12.779  43.058  9.9528  -8.632759      16.19790 
1 1 1 -16 -29 28 o 29.835  8.5769  116.927    65.398   138.281    126.231  109.093    76.460   33.607  12.111  29.214  9.4537  4.392616       15.36354 
1 1 1 -16 -29 29 o 75.819  3.9962  707.857    73.258   785.541    126.892  669.020    89.720   78.865  6.6944  73.373  5.0706  5.491844       8.397988 
1 1 1 -16 -29 30 o 77.162  3.9646  733.174    73.977   682.153    127.225  759.237    90.929   73.158  7.2632  78.254  4.8122  -5.096230      8.712703 
1 1 1 -16 -29 31 o 36.497  5.1044  168.019    43.966   145.469    92.987   174.512    49.895   33.077  10.395  37.031  5.7387  -3.954220      11.87421 
1 1 1 -16 -29 32 o 102.304 3.9006  1286.13    96.824   1349.35    159.362  1249.14    121.905  103.517 6.3757  100.410 5.0036  3.106941       8.104638 
1 1 1 -16 -29 33 o 86.480  3.8916  919.423    81.659   1000.55    139.164  876.823    100.845  88.969  6.4913  83.968  4.9718  5.001297       8.176560 
1 1 1 -16 -29 34 o 30.790  5.7869  122.072    41.646   116.412    97.744   123.328    46.034   30.440  10.689  30.795  6.3710  -0.3544483     12.44334 
1 1 1 -16 -29 35 o 33.468  5.5608  143.262    43.572   238.589    94.779   117.716    49.065   41.844  9.5460  29.921  6.8992  11.92318       11.77822 
1 1 1 -16 -29 36 o 19.610  7.0047  43.086     42.142   0.0000     0.0000   43.086     42.142   ?       ?       19.610  7.0047  0.000000       7.004713 
1 1 1 -16 -29 37 o 67.832  4.8714  574.586    79.644   0.0000     0.0000   574.586    79.644   ?       ?       67.832  4.8714  0.000000       4.871418 
1 1 1 -16 -29 38 o 39.610  5.6846  200.469    53.069   0.0000     0.0000   200.469    53.069   ?       ?       39.610  5.6846  0.000000       5.684555 
1 1 1 -16 -29 39 o 84.165  3.9916  874.611    81.516   921.825    144.380  852.518    98.764   84.585  7.1004  82.574  4.9522  2.010704       8.656810 
1 1 1 -16 -29 40 o 70.127  5.5567  621.156    93.776   785.742    150.831  517.447    119.730  77.243  8.1717  62.616  8.0682  14.62717       11.48361 
1 1 1 -16 -29 41 o 12.991  5.9567  -26.8963   42.557   -62.5470   74.603   -9.6995    51.814   16.216  7.5894  15.756  6.9472  0.4600267      10.28897 
1 1 1 -16 -29 42 o 85.506  5.6227  924.358    116.006  964.210    181.385  896.774    150.903  84.807  8.9498  82.866  7.5894  1.941025       11.73448 
1 1 1 -16 -29 43 o 59.421  4.0696  439.021    58.322   427.351    100.043  445.029    71.781   57.079  7.3974  59.455  5.0227  -2.376289      8.941474 
1 1 1 -16 -29 44 o 39.489  5.3237  199.067    49.709   215.587    92.770   192.414    58.874   39.134  9.7934  38.338  6.5651  0.7963448      11.79032 
1 1 1 -16 -29 45 o 66.995  4.2516  559.473    68.755   572.289    119.831  553.183    83.948   65.875  7.6387  66.145  5.2744  -0.2696609     9.282752 
1 1 1 -16 -29 46 o 64.810  4.2886  524.434    67.060   733.077    118.530  426.208    81.328   75.332  6.5498  57.667  5.8952  17.66505       8.812139 
1 1 1 -16 -29 47 o 40.232  7.2435  216.022    68.111   296.994    136.588  189.225    78.577   44.076  12.303  36.822  8.8947  7.253887       15.18129 
1 1 1 -16 -29 48 o 22.095  7.9705  58.244     54.699   -78.6593   117.310  96.277     61.832   20.281  9.5001  26.678  8.4877  -6.397028      12.73945 
1 1 1 -16 -29 49 o 35.840  7.8212  176.269    66.104   154.131    136.184  183.093    75.609   32.931  12.448  36.086  8.7300  -3.155697      15.20447 
1 1 1 -16 -29 50 o 18.270  6.9813  33.774     43.125   32.134     88.903   34.279     49.315   22.543  9.5055  18.972  7.4074  3.571527       12.05090 
1 1 1 -16 -29 51 o 33.703  6.4744  152.165    51.022   75.636     102.010  177.697    58.922   26.152  10.510  36.246  6.9525  -10.09394      12.60161 
1 1 1 -16 -29 52 o 30.442  7.0420  127.243    50.981   217.465    101.110  96.486     59.035   37.703  10.607  26.310  8.2853  11.39377       13.45900 
1 1 1 -16 -29 53 o 22.890  7.4610  70.566     47.580   74.471     98.086   69.365     54.410   25.547  10.292  22.959  7.9796  2.588408       13.02325 
1 1 1 -16 -29 54 o 57.834  4.8613  428.973    67.585   705.465    130.158  326.902    79.082   71.666  7.6011  49.184  6.8093  22.48174       10.20504 
1 1 1 -16 -29 55 o 18.677  7.7245  25.811     57.037   -98.0294   238.204  33.343     58.746   26.311  12.661  19.484  7.9239  6.826645       14.93643 
1 1 1 -16 -29 56 o 53.653  5.8724  381.087    75.201   410.313    154.717  372.047    86.049   48.338  12.936  52.149  6.9751  -3.811749      14.69695 
1 1 1 -16 -29 57 o 42.212  9.2901  267.662    92.571   457.226    195.996  213.232    105.024  47.297  15.118  36.058  11.001  11.23912       18.69720 
1 1 1 -16 -29 58 o 24.573  9.3549  80.452     77.253   235.287    181.282  46.095     85.395   35.036  14.035  22.411  9.3751  12.62522       16.87857 
1 1 1 -16 -29 59 o 17.559  7.5416  11.737     57.774   55.572     151.743  4.3056     62.480   26.437  11.761  17.580  7.6936  8.856804       14.05387 
1 1 1 -16 -29 60 o 46.354  6.5340  291.250    71.452   395.431    168.073  268.268    78.940   45.764  13.907  43.570  7.7512  2.194241       15.92080 
1 1 1 -16 -29 61 o 21.501  8.1518  56.445     58.509   61.315     154.591  55.631     63.211   26.796  11.898  21.708  8.4111  5.087730       14.57096 
1 1 1 -16 -29 62 f 25.812  10.205  89.555     94.635   112.668    333.821  87.535     98.684   31.908  15.259  25.806  10.349  6.102016       18.43722 
1 1 1 -16 -29 63 o 40.055  10.927  266.209    109.147  488.120    380.091  246.265    113.947  38.283  17.645  37.879  11.437  0.4040375      21.02753 
1 1 1 -16 -29 64 o 29.818  10.698  147.645    98.404   132.106    379.385  148.766    101.891  31.198  15.236  29.845  10.861  1.353668       18.71096 
1 1 1 -16 -28 1  o 21.605  5.5370  60.895     29.160   23.556     74.072   67.743     31.721   21.016  8.7563  22.752  5.7448  -1.735994      10.47265 
1 1 1 -16 -28 2  o 26.763  4.8682  91.852     30.448   15.473     70.468   109.385    33.762   20.064  8.4617  29.246  4.9333  -9.181707      9.794762 
1 1 1 -16 -28 3  o 35.393  4.4508  157.646    37.378   136.917    75.642   164.342    42.993   31.650  9.2608  35.964  5.0673  -4.314789      10.55646 
1 1 1 -16 -28 4  o 107.320 3.8121  1419.51    99.267   1429.81    158.991  1412.92    127.080  106.196 6.1971  106.519 4.9168  -0.3234329     7.910717 
1 1 1 -16 -28 5  o 15.818  5.5103  28.384     25.953   43.203     50.326   23.016     30.291   20.370  7.5947  15.568  5.8744  4.802427       9.601408 
1 1 1 -16 -28 6  o 53.436  3.8011  353.141    48.963   295.035    85.390   381.605    59.765   47.431  7.6824  55.356  4.4882  -7.925430      8.897331 
1 1 1 -16 -28 7  o 57.585  3.7537  409.399    52.162   386.669    89.910   420.931    64.041   54.843  6.9100  58.153  4.5756  -3.310280      8.287530 
1 1 1 -16 -28 8  f 46.820  3.9399  271.543    44.343   236.260    77.692   288.590    54.003   42.378  7.8445  48.077  4.6890  -5.698593      9.139089 
1 1 1 -16 -28 9  o 55.232  3.7903  376.430    50.489   380.538    86.289   374.292    62.258   54.608  6.6496  54.821  4.7266  -0.2133636     8.158310 
1 1 1 -16 -28 10 o 13.116  5.4161  6.8124     27.977   -0.1589    55.024   9.2430     32.490   17.095  7.3517  14.257  5.8562  2.838336       9.399073 
1 1 1 -16 -28 11 o 95.679  3.7370  1122.96    86.756   1031.33    138.833  1181.66    111.125  90.554  6.3589  97.842  4.6808  -7.288612      7.895949 
1 1 1 -16 -28 12 o 92.023  3.7255  1038.23    83.184   911.080    133.520  1118.89    106.345  85.068  6.5183  95.270  4.6004  -10.20174      7.978191 
1 1 1 -16 -28 13 o 46.299  4.3841  265.963    48.665   333.191    99.709   244.941    55.757   50.537  8.4281  44.184  5.3069  6.353157       9.959731 
1 1 1 -16 -28 14 o 33.911  4.7263  144.287    37.832   164.983    67.214   134.691    45.770   35.436  8.0060  32.420  6.0406  3.015526       10.02919 
1 1 1 -16 -28 15 o 35.074  4.7435  154.140    39.333   125.380    70.303   167.244    47.456   30.919  8.8940  36.360  5.5553  -5.440683      10.48637 
1 1 1 -16 -28 16 o 42.984  6.9195  236.428    69.719   352.954    122.462  180.548    84.804   51.463  10.168  36.826  9.4450  14.63691       13.87768 
1 1 1 -16 -28 17 o 94.087  5.5341  1098.57    125.782  1086.23    199.337  1106.74    162.136  91.864  9.0610  93.727  7.1840  -1.863609      11.56336 
1 1 1 -16 -28 18 o 84.769  5.5667  892.276    113.862  854.246    182.478  916.523    145.706  81.227  9.4343  85.313  7.1034  -4.085327      11.80949 
1 1 1 -16 -28 19 o 70.245  5.6802  614.239    95.987   617.844    159.529  612.193    120.174  68.777  9.8398  69.591  7.2221  -0.8135834     12.20579 
1 1 1 -16 -28 20 f 23.669  6.1891  72.081     35.947   99.072     63.276   59.219     43.680   27.862  8.5458  22.035  7.1469  5.826654       11.14047 
1 1 1 -16 -28 21 o 115.402 3.9005  1630.50    109.220  1527.62    169.270  1703.89    142.962  110.717 6.3271  117.624 5.0091  -6.906609      8.069937 
1 1 1 -16 -28 22 f 70.479  3.8401  609.732    65.423   719.911    106.557  543.071    82.884   76.053  5.8184  66.174  5.2039  9.878990       7.806087 
1 1 1 -16 -28 23 o 105.649 6.1081  1388.85    155.911  1388.85    155.911  0.0000     0.0000   105.649 6.1081  ?       ?       0.000000       6.108099 
1 1 1 -16 -28 24 f 18.226  8.2175  -33.9289   76.832   -33.9289   76.832   0.0000     0.0000   18.226  8.2175  ?       ?       0.000000       8.217476 
1 1 1 -16 -28 25 o 69.720  5.3071  603.208    89.107   532.381    116.426  703.365    138.448  64.727  7.5553  74.410  7.7833  -9.683456      10.84721 
1 1 1 -16 -28 26 o 78.782  6.0476  774.393    114.722  767.305    188.438  778.567    144.611  76.412  10.436  78.332  7.7083  -1.920204      12.97443 
1 1 1 -16 -28 27 f 83.360  5.5971  863.529    112.552  1056.76    189.835  758.784    139.768  90.791  8.7247  77.365  7.5415  13.42647       11.53230 
1 1 1 -16 -28 28 o 38.618  7.8413  194.341    70.967   250.407    145.170  176.735    81.350   42.673  12.915  36.483  9.1934  6.189743       15.85274 
1 1 1 -16 -28 29 o 41.899  7.3749  226.578    72.238   116.524    138.819  267.446    84.594   32.897  12.536  45.401  7.9697  -12.50417      14.85513 
1 1 1 -16 -28 30 o 33.310  5.4661  140.773    42.645   205.284    91.287   122.765    48.232   39.141  9.6687  30.780  6.6521  8.360628       11.73601 
1 1 1 -16 -28 31 o 46.806  4.6332  272.433    51.928   530.253    104.672  188.264    59.806   64.727  6.7646  38.271  6.6836  26.45560       9.509492 
1 1 1 -16 -28 32 o 85.789  3.8845  903.098    80.860   932.192    137.270  887.638    100.064  86.007  6.6289  84.638  4.8933  1.368576       8.239321 
1 1 1 -16 -28 33 o 96.025  3.9058  1132.17    91.003   1225.99    153.110  1080.92    113.160  98.736  6.4259  93.340  5.0149  5.396614       8.151149 
1 1 1 -16 -28 34 o 9.6846  4.6505  -45.3334   31.731   1.2387     88.899   -52.1329   33.968   21.520  9.2994  9.8266  4.7416  11.69359       10.43848 
1 1 1 -16 -28 35 o 67.323  4.9464  564.333    80.235   0.0000     0.0000   564.333    80.235   ?       ?       67.323  4.9464  0.000000       4.946368 
1 1 1 -16 -28 36 o 42.008  5.5479  223.516    55.166   0.0000     0.0000   223.516    55.166   ?       ?       42.008  5.5479  0.000000       5.547862 
1 1 1 -16 -28 37 o 62.602  4.9541  489.334    74.637   0.0000     0.0000   489.334    74.637   ?       ?       62.602  4.9541  0.000000       4.954105 
1 1 1 -16 -28 38 o 47.972  4.9611  288.810    56.912   331.799    149.258  281.497    61.563   47.738  12.674  47.184  5.4793  0.5543137      13.80748 
1 1 1 -16 -28 39 o 17.024  6.3475  28.977     35.157   80.661     78.757   16.115     39.288   26.230  9.5484  16.079  6.5012  10.15026       11.55154 
1 1 1 -16 -28 40 o 108.900 3.9699  1463.17    104.899  1476.60    165.241  1454.10    135.764  107.850 6.3424  107.929 5.1842  -0.7932281E-01 8.191559 
1 1 1 -16 -28 41 o 27.441  7.9713  100.325    56.225   93.668     96.339   103.764    69.240   28.195  10.509  28.033  8.9885  0.1621666      13.82841 
1 1 1 -16 -28 42 o 30.082  7.9329  121.886    58.732   141.792    100.990  111.712    72.196   32.303  10.881  28.908  9.1688  3.394602       14.22913 
1 1 1 -16 -28 43 o 28.884  7.6963  112.056    54.912   143.103    94.961   96.459     67.307   32.281  10.541  27.128  8.8755  5.153578       13.78026 
1 1 1 -16 -28 44 o 40.321  5.2562  206.841    50.201   168.354    92.447   222.936    59.784   34.615  10.268  41.562  6.1106  -6.947170      11.94870 
1 1 1 -16 -28 45 o 48.062  4.8450  291.040    55.731   381.362    101.968  252.566    66.551   53.471  8.1141  44.133  6.4016  9.337959       10.33538 
1 1 1 -16 -28 46 o 90.393  4.1427  1013.19    90.861   1143.47    155.421  945.539    111.993  94.075  6.8560  86.549  5.3593  7.525414       8.702131 
1 1 1 -16 -28 47 o 42.951  5.2909  235.278    53.975   231.169    103.931  236.796    63.160   40.016  10.553  42.679  6.2875  -2.662968      12.28395 
1 1 1 -16 -28 48 o 25.955  8.2427  89.963     58.333   30.075     122.985  107.347    66.261   25.457  10.969  28.068  8.7678  -2.610760      14.04280 
1 1 1 -16 -28 49 o 50.490  6.6350  334.050    79.316   355.486    154.808  326.420    92.360   47.442  13.043  49.094  8.0311  -1.652119      15.31739 
1 1 1 -16 -28 50 o 26.178  7.1434  92.956     46.638   64.546     96.725   101.561    53.235   25.375  10.221  27.229  7.7089  -1.853939      12.80254 
1 1 1 -16 -28 51 o 14.579  6.2140  4.1587     38.685   -75.1230   89.741   22.254     42.873   17.324  8.1752  16.982  6.8175  0.3428078      10.64482 
1 1 1 -16 -28 52 o 11.947  5.5960  -35.8048   40.698   -68.2505   95.696   -28.6409   44.967   18.176  8.5350  13.155  6.0655  5.020349       10.47072 
1 1 1 -16 -28 53 o 17.507  7.0646  24.184     46.296   197.350    97.895   -25.7025   52.544   35.932  10.541  14.547  6.6515  21.38435       12.46451 
1 1 1 -16 -28 54 o 19.267  7.2313  41.790     45.775   -56.9937   104.949  64.998     50.868   19.358  9.0410  22.295  7.7174  -2.937290      11.88686 
1 1 1 -16 -28 55 o 28.374  8.5426  116.492    63.638   225.895    140.954  88.483     71.320   36.196  12.823  25.401  9.1084  10.79422       15.72887 
1 1 1 -16 -28 56 o 13.277  6.2553  -45.9261   52.153   -8.3206    131.516  -52.9432   56.811   23.106  10.548  13.661  6.4642  9.444387       12.37147 
1 1 1 -16 -28 57 o 30.736  10.049  145.806    86.289   433.455    173.165  50.787     99.525   48.288  13.978  23.722  10.033  24.56568       17.20622 
1 1 1 -16 -28 58 o 25.474  9.6024  88.570     80.885   198.559    170.244  56.504     91.923   33.537  13.542  23.594  9.7861  9.942684       16.70827 
1 1 1 -16 -28 59 o 18.784  7.6659  29.758     55.225   104.020    147.925  17.732     59.529   28.580  12.166  18.247  7.7406  10.33366       14.41939 
1 1 1 -16 -28 60 o 17.939  7.5558  18.456     56.073   -133.9784  149.275  43.498     60.504   20.512  9.9081  20.489  8.1412  0.2350998E-01  12.82378 
1 1 1 -16 -28 61 o 21.480  8.0508  56.725     56.699   86.771     154.927  52.078     60.925   28.043  12.197  21.294  8.2557  6.748329       14.72825 
1 1 1 -16 -28 62 o 25.971  10.134  91.074     92.265   -232.2683  362.467  113.476    95.407   27.996  13.899  27.764  10.436  0.2317238      17.38089 
1 1 1 -16 -28 63 o 23.364  10.051  45.563     102.918  426.226    343.912  8.1204     107.860  38.247  17.302  21.808  9.7930  16.43808       19.88077 
1 1 1 -16 -28 64 o 27.531  11.150  112.803    115.780  566.546    294.763  30.026     125.899  43.150  17.672  23.652  10.603  19.49743       20.60864 
1 1 1 -16 -27 1  o 28.797  5.8555  107.852    39.520   -4.2115    81.939   141.824    45.114   20.166  8.8183  33.138  5.8233  -12.97256      10.56752 
1 1 1 -16 -27 2  o 77.820  3.9459  748.742    74.264   972.740    153.652  680.466    84.830   86.805  7.3645  73.862  4.7586  12.94374       8.768171 
1 1 1 -16 -27 3  o 109.189 3.8555  1468.41    102.147  1372.83    163.167  1530.02    130.991  103.974 6.5002  110.964 4.8651  -6.990311      8.119285 
1 1 1 -16 -27 4  o 40.958  4.0053  208.580    39.296   192.968    68.461   216.251    47.988   38.216  7.6499  41.481  4.8600  -3.264969      9.063168 
1 1 1 -16 -27 5  o 107.015 3.8025  1408.04    98.735   1376.45    157.918  1428.31    126.512  104.465 6.2590  107.334 4.8577  -2.868561      7.922869 
1 1 1 -16 -27 6  o 66.222  3.6546  539.866    58.495   542.727    98.017   538.283    72.900   65.503  6.2426  65.850  4.5913  -0.3470917     7.749197 
1 1 1 -16 -27 7  o 42.677  4.0788  225.988    41.723   226.069    73.375   225.950    50.721   41.630  7.5417  42.434  5.0238  -0.8036957     9.061757 
1 1 1 -16 -27 8  o 74.422  3.6487  679.049    65.888   597.328    109.340  725.644    82.562   68.690  6.6432  76.612  4.4607  -7.922043      8.001873 
1 1 1 -16 -27 9  o 39.972  4.1987  198.471    40.113   135.051    70.754   228.512    48.696   31.923  8.8348  42.784  4.7721  -10.86123      10.04122 
1 1 1 -16 -27 10 o 40.380  4.2231  202.429    40.765   238.520    71.545   185.079    49.605   43.068  7.0933  38.283  5.4979  4.784977       8.974541 
1 1 1 -16 -27 11 o 31.829  4.7619  127.413    35.647   75.943     64.563   149.984    42.754   25.278  8.6976  34.462  5.2814  -9.183256      10.17550 
1 1 1 -16 -27 12 o 85.850  3.6557  901.893    76.150   983.766    122.471  850.289    97.231   88.945  5.7048  82.952  4.8519  5.993065       7.489059 
1 1 1 -16 -27 13 o 58.574  3.7882  421.649    53.551   412.142    89.668   426.919    66.766   57.175  6.5837  58.733  4.7249  -1.558186      8.103741 
1 1 1 -16 -27 14 o 92.837  3.7055  1054.18    83.470   1013.76    132.702  1080.65    107.371  90.224  6.0974  93.638  4.7412  -3.413780      7.723813 
1 1 1 -16 -27 15 o 125.036 3.9852  1914.06    120.906  1737.78    186.037  2042.96    159.083  118.081 6.5184  128.811 5.0899  -10.72947      8.270218 
1 1 1 -16 -27 16 o 132.772 4.0422  2158.18    130.223  2053.85    198.919  2236.43    172.269  128.663 6.3717  134.732 5.2695  -6.069275      8.268440 
1 1 1 -16 -27 17 o 81.725  5.5245  827.283    108.906  839.312    174.586  819.621    139.340  80.964  9.0414  80.778  7.1842  0.1863022      11.54813 
1 1 1 -16 -27 18 o 14.966  6.7433  -24.4792   51.641   1.4178     99.260   -34.0902   60.469   22.978  9.8776  15.843  7.2016  7.135390       12.22416 
1 1 1 -16 -27 19 o 129.130 5.7745  2058.22    180.928  2153.96    275.344  1985.47    240.020  130.401 8.7530  125.664 7.9122  4.737167       11.79907 
1 1 1 -16 -27 20 o 127.767 5.7594  2014.47    178.551  1957.20    271.561  2058.08    236.976  124.105 9.0811  128.109 7.6587  -4.003899      11.87949 
1 1 1 -16 -27 21 o 115.750 3.8870  1638.10    109.169  1655.28    168.855  1625.76    143.098  115.578 6.0421  114.985 5.1289  0.5922852      7.925449 
1 1 1 -16 -27 22 o 123.371 6.1653  1882.64    184.557  1882.64    184.557  0.0000     0.0000   123.371 6.1653  ?       ?       0.000000       6.165312 
1 1 1 -16 -27 23 f 121.755 6.1627  1838.20    181.469  1838.20    181.469  0.0000     0.0000   121.755 6.1627  ?       ?       0.000000       6.162663 
1 1 1 -16 -27 24 o 132.752 5.0107  2166.08    161.399  2074.43    206.292  2310.71    259.151  129.141 6.6056  135.601 7.9107  -6.460144      10.30594 
1 1 1 -16 -27 25 o 14.154  6.6258  -54.6392   56.902   -70.8102   74.991   -32.6939   87.361   16.237  7.6025  19.735  8.8409  -3.497347      11.66017 
1 1 1 -16 -27 26 o 82.140  3.8678  825.195    77.087   917.148    130.377  775.771    95.585   85.809  6.3060  79.280  4.9945  6.529846       8.044321 
1 1 1 -16 -27 27 o 132.299 5.8764  2164.34    188.641  2298.12    301.784  2078.54    241.674  134.140 9.3301  128.527 7.7862  5.612640       12.15218 
1 1 1 -16 -27 28 o 128.271 5.8253  2034.99    181.305  2073.54    294.156  2011.37    230.238  127.106 9.6088  126.513 7.5344  0.5932159      12.21049 
1 1 1 -16 -27 29 o 89.182  5.5049  985.821    118.539  1131.23    206.164  914.007    144.883  93.865  9.1690  85.275  7.0659  8.590942       11.57574 
1 1 1 -16 -27 30 o 55.850  4.5755  385.781    61.460   416.466    166.622  380.949    66.123   54.947  12.745  55.402  4.9718  -0.4542961     13.68006 
1 1 1 -16 -27 31 o 81.381  3.8887  811.333    76.788   1035.40    132.949  699.167    94.064   91.127  6.0472  75.093  5.1944  16.03344       7.971825 
1 1 1 -16 -27 32 o 34.887  5.4241  153.926    44.424   254.552    95.661   126.257    50.161   43.816  9.2864  31.203  6.8161  12.61258       11.51935 
1 1 1 -16 -27 33 f 42.158  4.7882  221.796    48.111   234.599    97.180   217.639    55.373   41.822  9.7554  41.535  5.6403  0.2867126      11.26861 
1 1 1 -16 -27 34 o 33.644  6.0833  145.110    47.833   0.0000     0.0000   145.110    47.833   ?       ?       33.644  6.0833  0.000000       6.083331 
1 1 1 -16 -27 35 o 73.925  4.8260  677.864    86.090   0.0000     0.0000   677.864    86.090   ?       ?       73.925  4.8260  0.000000       4.825981 
1 1 1 -16 -27 36 o 32.670  6.1916  137.626    47.286   0.0000     0.0000   137.626    47.286   ?       ?       32.670  6.1916  0.000000       6.191623 
1 1 1 -16 -27 37 o 67.722  4.1606  566.842    68.037   810.138    126.999  468.908    80.575   79.967  6.6044  61.143  5.4896  18.82318       8.587973 
1 1 1 -16 -27 38 o 109.187 3.9174  1466.75    103.784  1528.32    163.157  1424.91    134.503  110.201 6.1259  107.064 5.1776  3.137314       8.020886 
1 1 1 -16 -27 39 o 38.728  4.8578  188.791    44.644   208.684    78.289   179.205    54.347   39.493  8.4266  37.297  6.2248  2.196686       10.47646 
1 1 1 -16 -27 40 o 110.444 3.9824  1503.55    106.722  1474.88    167.899  1522.98    138.242  107.852 6.4454  110.570 5.1527  -2.718430      8.251889 
1 1 1 -16 -27 41 o 72.634  5.5911  664.567    97.780   666.932    151.480  662.877    128.024  70.753  9.0295  71.520  7.4884  -0.7671204     11.73065 
1 1 1 -16 -27 42 o 14.473  6.3872  -9.7889    43.890   12.373     84.266   -18.0396   51.415   21.445  9.1566  15.152  6.7855  6.293830       11.39673 
1 1 1 -16 -27 43 o 44.996  6.5615  261.988    69.530   365.861    117.551  206.092    86.231   51.616  9.7431  38.687  9.3008  12.92901       13.46971 
1 1 1 -16 -27 44 o 36.262  5.1806  167.417    44.287   159.755    81.408   170.638    52.781   33.990  9.5015  36.260  6.2233  -2.269432      11.35813 
1 1 1 -16 -27 45 o 63.032  4.3846  495.164    66.641   601.437    118.724  446.278    80.523   67.978  7.3129  59.298  5.6654  8.680424       9.250719 
1 1 1 -16 -27 46 o 57.450  4.5752  413.048    63.248   362.790    115.459  434.596    75.601   51.253  9.6379  58.605  5.3765  -7.351479      11.03610 
1 1 1 -16 -27 47 o 37.689  5.9469  183.826    52.581   96.418     101.880  215.562    61.388   28.431  10.762  40.674  6.4342  -12.24313      12.53901 
1 1 1 -16 -27 48 f 65.419  6.1850  549.838    97.011   441.408    176.384  596.864    116.159  53.127  13.619  67.533  7.1998  -14.40619      15.40529 
1 1 1 -16 -27 49 o 46.535  7.1789  286.892    78.451   186.060    149.374  325.299    92.189   35.659  13.124  49.129  8.0095  -13.47049      15.37516 
1 1 1 -16 -27 50 o 22.266  7.2935  63.972     45.446   291.530    94.817   -3.8948    51.781   45.824  8.8481  16.038  7.0117  29.78604       11.28951 
1 1 1 -16 -27 51 o 13.211  5.9415  -15.0372   39.877   -16.1819   95.312   -14.7943   43.905   20.526  9.2123  13.946  6.2561  6.580552       11.13578 
1 1 1 -16 -27 52 o 55.631  4.8255  393.136    64.491   464.592    123.718  366.475    75.571   57.415  9.1906  53.076  5.9717  4.339161       10.96030 
1 1 1 -16 -27 53 o 59.575  4.6912  450.478    67.264   450.382    128.519  450.514    78.939   55.691  9.8722  59.051  5.5754  -3.359413      11.33781 
1 1 1 -16 -27 54 o 22.256  7.3433  65.669     46.038   66.515     100.970  65.447     51.728   25.274  10.346  22.444  7.7816  2.830256       12.94562 
1 1 1 -16 -27 55 o 27.316  8.1648  105.971    58.289   76.985     147.378  111.345    63.463   27.890  12.013  27.870  8.5602  0.1968384E-01  14.75084 
1 1 1 -16 -27 56 f 41.572  6.7635  234.704    65.878   85.684     158.264  265.936    72.453   28.466  12.354  44.141  6.9983  -15.67466      14.19871 
1 1 1 -16 -27 57 o 17.518  7.9229  -17.0011   72.073   59.957     140.837  -44.3067   83.891   26.484  11.572  17.549  8.1581  8.935263       14.15833 
1 1 1 -16 -27 58 o 16.047  7.3019  -21.6647   62.373   -168.4126  157.077  5.8052     67.960   20.342  9.9055  18.376  8.0335  1.966032       12.75366 
1 1 1 -16 -27 59 o 14.439  6.6518  -29.0693   53.916   22.425     156.886  -35.9656   57.413   25.688  11.647  14.581  6.7685  11.10692       13.47096 
1 1 1 -16 -27 60 o 16.837  7.2856  5.8473     54.716   -102.8258  144.753  23.963     59.101   21.046  10.060  18.745  7.8168  2.301119       12.73993 
1 1 1 -16 -27 61 o 20.183  7.9204  43.136     56.607   95.406     149.183  34.345     61.182   28.410  12.158  19.796  8.0727  8.613228       14.59408 
1 1 1 -16 -27 62 f 23.056  10.349  10.969     120.348  0.0000     0.0000   10.969     120.348  ?       ?       23.056  10.349  0.000000       10.34949 
1 1 1 -16 -27 63 o 23.825  10.373  41.721     112.277  0.0000     0.0000   41.721     112.277  ?       ?       23.825  10.373  0.000000       10.37291 
1 1 1 -16 -27 64 o 38.971  11.488  260.630    116.015  574.984    285.471  198.441    126.973  44.779  17.718  33.406  12.130  11.37390       21.47236 
1 1 1 -16 -26 1  o 87.962  5.0113  965.280    106.514  1153.58    176.703  857.813    133.493  94.413  7.7828  81.975  6.7720  12.43812       10.31657 
1 1 1 -16 -26 2  o 125.867 5.4848  1977.47    167.509  1993.44    259.059  1966.01    219.592  123.541 8.6977  123.959 7.3335  -0.4179077     11.37675 
1 1 1 -16 -26 3  o 40.107  5.1621  202.895    49.069   288.869    83.121   156.908    60.792   47.104  7.5259  34.495  7.4789  12.60914       10.61006 
1 1 1 -16 -26 4  f 87.163  3.6469  932.255    77.129   925.539    125.391  936.343    97.824   85.806  6.0616  86.929  4.6548  -1.123199      7.642654 
1 1 1 -16 -26 5  o 87.116  3.6622  930.744    77.412   868.681    126.186  968.196    98.026   83.073  6.3073  88.471  4.5821  -5.398109      7.795977 
1 1 1 -16 -26 6  o 42.867  3.9267  227.380    40.389   303.517    70.693   190.485    49.212   48.989  6.0778  38.859  5.3622  10.13029       8.105086 
1 1 1 -16 -26 7  o 39.579  4.1135  194.350    38.927   154.564    67.453   214.216    47.665   34.221  8.2253  41.407  4.8353  -7.185432      9.541274 
1 1 1 -16 -26 8  o 44.517  4.0564  245.053    43.335   258.773    75.554   238.326    52.902   44.907  7.1754  43.661  5.0892  1.246624       8.796973 
1 1 1 -16 -26 9  o 53.957  3.8233  358.245    49.731   412.123    84.804   330.006    61.396   57.273  6.2015  51.520  4.9731  5.752193       7.949219 
1 1 1 -16 -26 10 o 96.818  3.7305  1146.83    87.638   1061.29    140.001  1201.95    112.380  92.230  6.2936  98.880  4.6840  -6.649834      7.845315 
1 1 1 -16 -26 11 o 106.170 3.7646  1378.67    96.981   1444.73    152.958  1334.27    125.411  107.913 5.8636  104.135 4.9634  3.777924       7.682262 
1 1 1 -16 -26 12 o 60.470  3.7505  448.729    54.758   477.428    90.880   432.372    68.610   61.810  6.1409  59.133  4.8239  2.677280       7.809000 
1 1 1 -16 -26 13 o 55.528  3.8566  378.759    51.639   353.166    86.902   392.728    64.203   52.874  6.9414  56.373  4.7377  -3.499359      8.404091 
1 1 1 -16 -26 14 o 62.918  3.7765  485.420    57.388   417.100    95.047   524.615    71.991   57.554  6.9466  65.261  4.5753  -7.706242      8.317945 
1 1 1 -16 -26 15 o 84.652  3.6753  875.081    75.491   769.545    120.319  943.601    96.948   78.632  6.3607  87.631  4.5754  -8.998840      7.835346 
1 1 1 -16 -26 16 o 98.832  3.7238  1192.80    89.300   1276.51    140.343  1135.85    115.756  101.642 5.7137  96.073  4.9828  5.568680       7.581196 
1 1 1 -16 -26 17 f 87.616  3.7222  937.267    79.130   898.713    125.703  962.573    101.841  85.127  6.1267  88.489  4.7607  -3.362038      7.758913 
1 1 1 -16 -26 18 o 36.874  7.7748  175.449    67.371   212.596    117.759  157.375    82.142   40.126  11.502  34.743  9.4801  5.383297       14.90498 
1 1 1 -16 -26 19 o 121.001 5.6640  1801.62    166.292  1726.98    252.729  1858.60    220.830  116.926 8.9765  122.045 7.4934  -5.119690      11.69313 
1 1 1 -16 -26 20 o 54.141  6.2934  366.419    81.133   365.483    133.419  366.968    102.201  52.695  10.798  53.681  8.0982  -0.9859238     13.49704 
1 1 1 -16 -26 21 o 219.052 11.171  6154.06    591.763  6154.06    591.763  0.0000     0.0000   219.052 11.171  ?       ?       0.000000       11.17072 
1 1 1 -16 -26 22 o 46.188  7.8213  272.507    84.525   272.507    84.525   0.0000     0.0000   46.188  7.8213  ?       ?       0.000000       7.821274 
1 1 1 -16 -26 23 o 116.323 3.9673  1653.09    111.976  1579.36    170.913  1708.55    148.217  112.952 6.2607  117.970 5.1780  -5.018181      8.124492 
1 1 1 -16 -26 24 o 27.553  6.6634  97.616     44.060   124.924    74.957   83.200     54.462   31.211  9.2431  25.785  7.9316  5.425913       12.17968 
1 1 1 -16 -26 25 o 87.886  3.8334  943.409    81.747   1076.58    136.882  869.581    101.917  93.222  6.0849  84.031  5.0215  9.191177       7.889352 
1 1 1 -16 -26 26 o 102.309 3.8471  1278.74    95.503   1454.46    156.497  1174.47    120.553  108.428 5.9714  97.664  5.1050  10.76476       7.856084 
1 1 1 -16 -26 27 o 84.993  5.5578  893.142    113.985  764.748    203.072  952.202    137.729  76.399  11.295  87.461  6.5373  -11.06209      13.05058 
1 1 1 -16 -26 28 o 57.777  5.9472  416.276    82.183   579.791    158.491  356.142    96.113   66.813  10.091  52.892  7.7162  13.92015       12.70303 
1 1 1 -16 -26 29 o 53.934  6.2770  364.696    80.607   534.300    165.844  312.237    92.235   63.562  11.160  49.354  7.9741  14.20868       13.71638 
1 1 1 -16 -26 30 o 55.957  6.0998  391.884    81.479   399.892    161.186  389.136    94.432   54.188  12.512  55.434  7.1900  -1.246548      14.43085 
1 1 1 -16 -26 31 o 101.350 3.8981  1257.04    95.861   1425.93    158.536  1159.70    120.355  107.102 6.1259  96.909  5.1368  10.19328       7.994600 
1 1 1 -16 -26 32 o 98.734  3.9218  1193.68    93.955   1384.12    156.458  1086.26    117.501  105.451 6.1414  93.729  5.1868  11.72182       8.038595 
1 1 1 -16 -26 33 o 54.125  5.1013  364.332    66.204   0.0000     0.0000   364.332    66.204   ?       ?       54.125  5.1013  0.000000       5.101304 
1 1 1 -16 -26 34 o 40.772  5.6433  209.635    54.332   0.0000     0.0000   209.635    54.332   ?       ?       40.772  5.6433  0.000000       5.643289 
1 1 1 -16 -26 35 o 38.141  5.8685  184.693    52.569   0.0000     0.0000   184.693    52.569   ?       ?       38.141  5.8685  0.000000       5.868450 
1 1 1 -16 -26 36 o 44.771  4.8330  250.192    51.669   359.805    106.778  216.679    59.042   52.393  8.7048  41.284  6.0757  11.10870       10.61546 
1 1 1 -16 -26 37 o 87.431  3.7849  938.065    80.293   992.340    129.132  903.854    102.521  88.969  6.0171  85.334  4.9730  3.635712       7.806182 
1 1 1 -16 -26 38 o 90.286  3.8410  1001.37    84.145   1006.32    134.842  998.207    107.685  89.402  6.2555  89.641  4.9704  -0.2388611     7.989744 
1 1 1 -16 -26 39 o 39.859  4.8519  199.516    45.956   150.266    79.158   224.556    56.443   33.366  9.3842  42.073  5.6736  -8.706551      10.96601 
1 1 1 -16 -26 40 o 120.534 4.0982  1790.63    119.857  1627.00    185.948  1906.93    156.769  113.174 6.8030  123.786 5.2195  -10.61148      8.574597 
1 1 1 -16 -26 41 o 88.121  5.4994  973.759    117.001  987.450    179.966  963.735    153.984  86.707  8.6702  86.540  7.4045  0.1673203      11.40173 
1 1 1 -16 -26 42 o 72.463  5.5456  660.736    96.765   754.188    151.568  596.438    125.722  75.780  8.3835  67.659  7.8010  8.121284       11.45158 
1 1 1 -16 -26 43 f 21.919  7.6383  57.160     49.870   -4.5399    86.948   87.408     60.879   20.747  9.0778  26.017  8.4374  -5.270412      12.39344 
1 1 1 -16 -26 44 o 14.303  5.9324  8.1753     33.778   -106.0782  61.115   58.428     40.532   12.566  6.1320  21.505  6.8752  -8.939192      9.212436 
1 1 1 -16 -26 45 o 71.643  4.2919  637.770    74.265   743.009    128.257  584.689    91.088   75.889  7.0456  68.039  5.5662  7.850914       8.979069 
1 1 1 -16 -26 46 o 75.232  4.2583  703.282    77.414   753.024    133.895  678.305    94.879   76.142  7.3382  73.373  5.3665  2.768364       9.091093 
1 1 1 -16 -26 47 o 43.345  5.2687  238.683    54.273   266.058    104.643  228.609    63.478   43.480  10.110  41.954  6.4416  1.526127       11.98787 
1 1 1 -16 -26 48 o 62.109  6.0880  494.052    90.567   562.482    169.345  466.639    107.184  62.360  11.619  59.495  7.5983  2.864567       13.88325 
1 1 1 -16 -26 49 o 54.620  6.5524  387.301    85.107   98.135     162.589  496.433    99.883   31.270  12.996  61.784  6.7738  -30.51451      14.65543 
1 1 1 -16 -26 50 o 46.118  5.6449  273.254    61.848   178.225    150.334  292.615    67.857   35.111  13.119  47.573  6.0128  -12.46241      14.43140 
1 1 1 -16 -26 51 o 25.808  7.3070  90.118     47.827   110.181    101.493  84.391     54.226   29.031  10.793  25.101  7.9446  3.929363       13.40148 
1 1 1 -16 -26 52 o 37.036  6.3143  181.282    54.708   282.615    112.127  149.621    62.675   43.595  10.683  32.856  7.9482  10.73874       13.31579 
1 1 1 -16 -26 53 o 71.485  4.4994  644.345    77.645   702.002    144.955  621.146    91.948   71.297  8.5496  69.543  5.4939  1.754463       10.16259 
1 1 1 -16 -26 54 o 19.168  7.1496  41.064     44.611   118.015    100.990  22.408     49.725   29.071  10.774  17.771  7.2658  11.29961       12.99522 
1 1 1 -16 -26 55 o 14.154  6.5091  -28.7666   51.318   -6.6932    133.657  -32.5834   55.578   23.702  10.748  14.596  6.7344  9.105783       12.68352 
1 1 1 -16 -26 56 o 26.167  8.3956  96.660     60.400   247.008    151.643  68.311     65.848   37.530  13.300  23.309  8.6879  14.22144       15.88621 
1 1 1 -16 -26 57 o 14.325  6.5293  -21.8639   50.134   54.853     135.822  -33.9647   53.943   26.151  11.397  14.209  6.5835  11.94180       13.16143 
1 1 1 -16 -26 58 o 34.650  9.5168  181.326    82.464   25.216     174.601  226.147    93.557   26.770  12.195  38.444  9.9519  -11.67445      15.74043 
1 1 1 -16 -26 59 o 34.666  9.8427  183.862    86.654   352.465    182.307  134.651    98.492   42.593  14.618  29.802  10.702  12.79105       18.11642 
1 1 1 -16 -26 60 o 25.716  8.5496  93.333     62.362   113.622    152.017  89.228     68.381   29.523  12.438  25.374  8.9378  4.149067       15.31638 
1 1 1 -16 -26 61 o 38.680  7.5104  208.745    67.946   142.475    154.781  224.564    75.621   31.025  12.767  39.734  8.1180  -8.709000      15.12953 
1 1 1 -16 -26 62 o 19.027  8.9346  -61.0174   104.862  0.0000     0.0000   -61.0174   104.862  ?       ?       19.027  8.9346  0.000000       8.934609 
1 1 1 -16 -26 63 o 21.195  9.6593  -13.2793   109.678  0.0000     0.0000   -13.2793   109.678  ?       ?       21.195  9.6593  0.000000       9.659282 
1 1 1 -16 -26 64 o 24.529  10.364  63.416     106.022  12.632     295.190  70.937     113.602  29.336  14.112  25.302  10.711  4.033573       17.71626 
1 1 1 -16 -25 1  o 34.562  5.0224  151.055    40.886   141.747    63.927   157.498    53.186   32.617  8.1115  34.860  6.5277  -2.243774      10.41191 
1 1 1 -16 -25 2  o 55.251  4.8246  380.331    64.030   423.541    106.809  356.091    79.999   57.135  7.9171  52.940  6.3548  4.195385       10.15210 
1 1 1 -16 -25 3  o 114.456 5.3286  1625.24    147.984  1561.00    231.422  1669.67    192.480  109.845 8.7556  114.950 6.9335  -5.105110      11.16838 
1 1 1 -16 -25 4  o 82.774  4.8881  848.838    97.738   977.817    157.560  768.163    124.611  87.685  7.4769  78.041  6.6439  9.644371       10.00228 
1 1 1 -16 -25 5  o 69.408  3.5911  591.258    60.271   593.461    100.619  590.025    75.269   68.806  6.0898  69.106  4.5137  -0.3003006     7.580144 
1 1 1 -16 -25 6  o 153.048 4.3105  2876.31    160.072  2732.05    244.882  2983.94    211.517  147.827 6.8272  155.236 5.6155  -7.409531      8.839905 
1 1 1 -16 -25 7  o 117.023 3.8352  1676.41    108.898  1710.17    170.356  1653.09    141.609  117.294 6.0059  115.831 5.0385  1.462502       7.839469 
1 1 1 -16 -25 8  o 15.358  5.6394  23.467     27.557   16.613     50.635   26.351     32.848   17.980  7.3393  16.518  6.1401  1.462080       9.569041 
1 1 1 -16 -25 9  o 123.423 3.9771  1863.95    119.103  1625.68    184.770  2033.33    155.788  114.195 6.6977  128.594 4.9929  -14.39927      8.353901 
1 1 1 -16 -25 10 o 12.713  5.3361  3.1509     27.811   0.4994     51.734   4.2285     32.981   16.793  7.1724  13.877  5.8171  2.915842       9.234848 
1 1 1 -16 -25 11 o 109.956 3.7922  1477.03    101.176  1523.67    158.408  1444.90    131.490  110.983 5.9037  108.477 4.9957  2.506279       7.733690 
1 1 1 -16 -25 12 o 55.150  3.8353  373.265    51.004   375.592    85.352   371.973    63.610   54.732  6.5576  54.872  4.8267  -0.1399078     8.142450 
1 1 1 -16 -25 13 o 13.489  5.5998  5.6233     30.137   42.135     54.441   -10.5100   36.188   21.042  7.8883  13.136  5.7984  7.905342       9.790156 
1 1 1 -16 -25 14 o 110.064 3.7960  1478.70    101.375  1509.73    157.905  1456.95    132.223  110.585 5.9062  109.008 4.9990  1.576721       7.737813 
1 1 1 -16 -25 15 o 167.949 4.4203  3449.60    180.134  3554.16    269.790  3365.50    241.970  169.665 6.5534  165.321 6.0321  4.344727       8.906978 
1 1 1 -16 -25 16 o 85.924  3.7224  900.663    77.606   959.953    123.453  861.925    99.789   88.177  5.8025  83.740  4.9329  4.436882       7.615963 
1 1 1 -16 -25 17 o 148.831 4.1932  2705.84    151.428  2829.91    229.115  2609.61    201.783  151.581 6.2294  145.737 5.7062  5.843948       8.447839 
1 1 1 -16 -25 18 o 128.331 5.6769  2022.78    176.769  2184.41    267.478  1897.44    235.536  132.165 8.3842  123.349 7.9114  8.816368       11.52761 
1 1 1 -16 -25 19 o 90.997  5.4681  1019.54    120.174  1112.34    187.479  954.811    156.571  94.196  8.2870  87.500  7.4453  6.695900       11.14035 
1 1 1 -16 -25 20 o 146.435 9.1085  2692.29    322.033  2692.29    322.033  0.0000     0.0000   146.435 9.1085  ?       ?       0.000000       9.108546 
1 1 1 -16 -25 21 f 120.011 8.7565  1806.58    253.227  1806.58    253.227  0.0000     0.0000   120.011 8.7565  ?       ?       0.000000       8.756524 
1 1 1 -16 -25 22 o 83.009  3.8129  840.567    76.797   951.707    120.242  763.993    99.806   87.858  5.6707  78.774  5.2518  9.083893       7.728996 
1 1 1 -16 -25 23 o 125.845 3.9827  1933.06    121.613  2096.46    187.051  1813.41    160.060  130.583 5.9035  121.573 5.4260  9.009872       8.018298 
1 1 1 -16 -25 24 o 133.049 3.9924  2161.01    128.888  2682.39    199.506  1787.53    168.855  147.802 5.5630  120.601 5.7703  27.20151       8.015209 
1 1 1 -16 -25 25 f 99.922  3.8668  1218.57    93.752   1223.95    153.268  1215.35    118.507  99.439  6.3861  99.611  4.9032  -0.1714783     8.051268 
1 1 1 -16 -25 26 o 167.455 4.4107  3429.21    179.212  3995.82    272.165  2995.49    238.121  180.051 6.2298  155.866 6.2962  24.18427       8.857380 
1 1 1 -16 -25 27 o 111.914 3.9245  1529.45    106.570  1665.36    172.140  1444.98    135.702  116.084 6.1333  108.524 5.1534  7.559052       8.010896 
1 1 1 -16 -25 28 o 13.781  6.2565  -26.0669   45.457   -96.5819   121.662  -14.6260   49.006   21.197  9.8443  15.217  6.7307  5.979834       11.92531 
1 1 1 -16 -25 29 o 49.704  6.4878  310.374    76.378   417.576    154.344  275.609    87.894   56.005  11.734  46.346  8.1114  9.658924       14.26433 
1 1 1 -16 -25 30 f 103.171 5.6842  1315.35    141.748  1425.87    244.828  1259.63    173.849  105.671 9.6553  100.411 7.1830  5.260239       12.03410 
1 1 1 -16 -25 31 o 13.187  5.7772  -7.6852    35.311   86.579     89.410   -25.1045   38.435   28.084  10.181  12.456  5.6927  15.62752       11.66471 
1 1 1 -16 -25 32 o 117.421 5.1819  1697.00    147.638  0.0000     0.0000   1697.00    147.638  ?       ?       117.421 5.1819  0.000000       5.181896 
1 1 1 -16 -25 33 o 15.366  6.3827  7.9061     39.185   0.0000     0.0000   7.9061     39.185   ?       ?       15.366  6.3827  0.000000       6.382716 
1 1 1 -16 -25 34 o 115.789 5.1402  1652.81    144.413  0.0000     0.0000   1652.81    144.413  ?       ?       115.789 5.1402  0.000000       5.140171 
1 1 1 -16 -25 35 o 161.720 4.5203  3215.16    177.377  3504.68    274.807  3008.41    232.231  167.488 6.7621  155.565 6.1524  11.92303       9.142068 
1 1 1 -16 -25 36 o 72.008  3.8338  637.238    66.743   669.442    107.153  616.823    85.315   73.111  6.0959  70.520  5.0187  2.590492       7.895998 
1 1 1 -16 -25 37 o 84.424  3.7670  873.793    77.165   976.083    123.234  807.818    98.969   88.435  5.7747  80.681  5.0815  7.754845       7.692121 
1 1 1 -16 -25 38 o 116.691 4.0180  1673.04    113.765  1589.14    176.123  1733.11    149.026  112.431 6.4836  118.269 5.1931  -5.838516      8.306897 
1 1 1 -16 -25 39 o 51.084  4.1992  323.334    51.588   409.416    86.557   275.911    64.245   56.807  6.3906  46.710  5.7928  10.09644       8.625325 
1 1 1 -16 -25 40 o 38.576  4.8520  187.011    44.411   222.343    77.282   169.591    54.266   41.033  8.0497  36.252  6.4034  4.780949       10.28602 
1 1 1 -16 -25 41 o 53.741  4.2090  358.263    54.446   320.904    91.182   378.964    67.875   49.519  7.8507  54.989  5.1469  -5.469765      9.387444 
1 1 1 -16 -25 42 o 44.754  6.4519  257.395    68.039   274.269    109.754  246.862    86.712   44.494  10.360  42.930  8.6237  1.564121       13.47921 
1 1 1 -16 -25 43 o 75.078  5.6421  709.642    102.031  834.591    160.756  625.352    132.034  79.745  8.4361  69.192  8.0127  10.55264       11.63492 
1 1 1 -16 -25 44 o 29.550  6.2171  114.008    43.165   37.983     74.879   151.846    52.825   22.303  8.9901  34.080  6.6267  -11.77682      11.16850 
1 1 1 -16 -25 45 o 42.566  5.2382  229.406    52.960   204.162    99.332   239.432    62.599   38.149  10.431  43.172  6.1498  -5.022804      12.10923 
1 1 1 -16 -25 46 o 38.665  5.6558  191.327    51.491   206.525    99.368   185.749    60.205   38.306  10.416  37.655  6.8413  0.6507530      12.46204 
1 1 1 -16 -25 47 o 10.850  5.1451  -41.8371   36.367   -98.6944   81.889   -27.8686   40.589   15.789  7.5524  12.556  5.7796  3.232529       9.510105 
1 1 1 -16 -25 48 o 23.840  8.4557  68.633     61.306   -96.4797   122.472  123.839    70.817   20.466  9.6248  30.133  8.9980  -9.667013      13.17578 
1 1 1 -16 -25 49 o 8.7181  4.3560  -100.3196  38.054   -371.8759  97.243   -51.2149   41.351   ?       ?       11.331  5.4053  0.000000       5.405309 
1 1 1 -16 -25 50 o 22.749  8.2057  61.478     57.972   28.528     124.631  70.576     65.488   25.564  11.029  24.152  8.7200  1.412050       14.05979 
1 1 1 -16 -25 51 o 22.216  7.3009  63.403     45.525   -23.0129   95.808   88.605     51.739   20.381  9.1838  25.652  7.6981  -5.270786      11.98344 
1 1 1 -16 -25 52 o 22.382  7.3667  64.880     46.343   56.270     97.670   67.382     52.647   24.905  10.183  22.965  7.8558  1.940174       12.86087 
1 1 1 -16 -25 53 o 61.323  4.7642  476.251    70.332   704.210    133.248  388.215    82.806   72.348  7.7092  54.423  6.3925  17.92562       10.01480 
1 1 1 -16 -25 54 o 45.012  5.6014  262.966    59.855   375.418    116.961  223.068    69.668   50.849  9.8354  40.476  7.3651  10.37366       12.28735 
1 1 1 -16 -25 55 o 35.666  7.5532  176.138    63.331   197.109    145.408  171.229    70.354   34.896  12.929  34.658  8.4438  0.2380333      15.44230 
1 1 1 -16 -25 56 o 53.383  5.9636  374.265    75.926   426.771    166.411  360.462    85.325   49.770  13.457  51.676  6.9838  -1.906116      15.16148 
1 1 1 -16 -25 57 o 29.606  8.3718  126.259    62.822   243.170    151.905  102.138    68.999   37.248  13.300  26.802  8.9943  10.44597       16.05546 
1 1 1 -16 -25 58 o 20.109  8.5150  24.406     71.827   57.514     162.877  16.414     80.029   27.562  12.227  20.354  8.8093  7.208038       15.06972 
1 1 1 -16 -25 59 o 17.549  7.8384  -9.2337    68.132   9.3071     162.574  -13.1837   75.039   25.764  11.749  18.122  8.1503  7.641918       14.29898 
1 1 1 -16 -25 60 o 15.829  7.0633  -10.2270   55.175   -30.3603   135.484  -6.2241    60.412   22.755  10.504  16.791  7.4475  5.964308       12.87667 
1 1 1 -16 -25 61 o 48.466  6.6628  316.011    76.281   215.402    160.947  345.158    86.628   35.255  13.483  50.188  7.3299  -14.93260      15.34685 
1 1 1 -16 -25 62 o 26.313  10.676  83.811     106.346  329.040    263.660  36.165     116.218  38.843  16.374  24.148  10.532  14.69516       19.46847 
1 1 1 -16 -25 63 o 18.667  8.8309  -73.0849   105.928  -330.2687  257.151  -20.5261   116.249  23.385  11.626  21.490  9.8507  1.894609       15.23815 
1 1 1 -16 -25 64 o 26.160  10.871  83.857     113.751  -188.6180  273.972  140.610    125.037  25.670  12.621  29.878  11.757  -4.207788      17.24812 
1 1 1 -16 -24 1  o 93.404  3.6703  1069.71    83.183   1121.67    136.440  1038.97    104.942  94.656  5.9712  91.616  4.7370  3.040474       7.621944 
1 1 1 -16 -24 2  o 131.945 5.6393  2161.80    180.545  2109.90    279.746  2198.85    236.361  127.773 9.0824  131.786 7.4219  -4.013428      11.72919 
1 1 1 -16 -24 3  o 38.075  5.2384  182.348    47.114   337.262    80.324   101.101    58.171   51.588  6.5658  27.913  8.1080  23.67547       10.43310 
1 1 1 -16 -24 4  o 97.987  5.0706  1187.06    120.144  1262.77    190.605  1137.15    154.760  99.748  7.9411  95.219  6.7420  4.528572       10.41703 
1 1 1 -16 -24 5  o 133.059 5.6577  2189.00    182.663  2075.73    281.655  2271.21    239.971  127.360 9.1757  134.470 7.3831  -7.109253      11.77720 
1 1 1 -16 -24 6  o 46.252  3.8124  263.361    42.404   256.599    72.230   266.916    52.380   44.938  6.8401  46.388  4.7194  -1.449772      8.310241 
1 1 1 -16 -24 7  o 89.681  3.6133  982.374    78.626   1018.01    125.486  959.339    100.885  90.659  5.7341  88.291  4.7264  2.368347       7.430901 
1 1 1 -16 -24 8  o 82.442  3.6433  829.900    72.879   706.670    117.225  907.539    93.047   75.295  6.4795  85.959  4.4766  -10.66415      7.875560 
1 1 1 -16 -24 9  o 22.631  5.7806  65.475     31.856   30.976     57.650   80.640     38.221   20.296  7.9840  25.073  6.2925  -4.776697      10.16560 
1 1 1 -16 -24 10 o 91.026  3.6836  1011.11    81.358   927.662    129.592  1065.40    104.524  86.513  6.2149  93.282  4.6180  -6.769257      7.742810 
1 1 1 -16 -24 11 o 86.568  3.6550  914.160    76.773   907.744    122.685  918.289    98.426   85.686  5.9375  86.484  4.7081  -0.7974396     7.577618 
1 1 1 -16 -24 12 o 124.405 3.9149  1888.88    118.173  1976.24    182.358  1825.64    155.161  126.762 5.9288  122.017 5.2408  4.744949       7.913099 
1 1 1 -16 -24 13 o 125.526 3.8824  1922.40    118.248  2258.18    182.004  1677.14    155.549  135.656 5.5294  116.919 5.4830  18.73699       7.787013 
1 1 1 -16 -24 14 o 209.436 5.0684  5370.82    257.563  5280.88    379.816  5447.39    350.451  206.507 7.5801  210.117 6.8739  -3.609329      10.23270 
1 1 1 -16 -24 15 o 13.986  5.8221  5.3647     32.707   -42.3219   60.244   25.294     38.946   15.422  7.0774  17.310  6.6297  -1.887934      9.697505 
1 1 1 -16 -24 16 o 83.527  3.7509  850.484    76.019   777.094    120.982  898.364    97.719   79.247  6.3450  85.599  4.7231  -6.351822      7.909923 
1 1 1 -16 -24 17 o 78.672  3.7559  754.432    71.696   642.872    113.966  827.504    92.235   71.982  6.5986  82.163  4.6456  -10.18132      8.069831 
1 1 1 -16 -24 18 o 102.925 3.8580  1291.54    96.348   1222.93    147.635  1342.44    127.159  99.599  6.1389  104.759 5.0026  -5.159561      7.919105 
1 1 1 -16 -24 19 o 148.906 9.0817  2772.20    326.559  2772.20    326.559  0.0000     0.0000   148.906 9.0817  ?       ?       0.000000       9.081662 
1 1 1 -16 -24 20 o 171.379 9.5890  3680.84    397.147  3680.84    397.147  0.0000     0.0000   171.379 9.5890  ?       ?       0.000000       9.589042 
1 1 1 -16 -24 21 o 143.082 5.8612  2511.72    203.485  2752.74    302.814  2313.26    274.769  148.687 8.4281  136.296 8.3487  12.39001       11.86310 
1 1 1 -16 -24 22 o 99.169  4.2610  1200.30    102.532  1487.84    203.991  1103.10    118.602  109.408 7.7340  94.798  5.1758  14.61001       9.306127 
1 1 1 -16 -24 23 o 73.049  3.7347  652.084    65.975   739.332    111.691  605.327    81.765   77.376  5.9959  70.200  4.8296  7.175682       7.699068 
1 1 1 -16 -24 24 o 77.090  3.6967  724.344    69.147   844.006    115.345  657.216    86.391   82.742  5.7816  73.143  4.8961  9.599083       7.576145 
1 1 1 -16 -24 25 o 12.467  5.2617  1.7332     27.283   -161.0536  65.479   35.933     30.013   11.808  5.8697  17.660  5.9319  -5.852032      8.345149 
1 1 1 -16 -24 26 o 181.892 4.6448  4045.02    204.997  4391.58    308.197  3770.04    274.534  188.725 6.7303  174.969 6.4665  13.75638       9.333446 
1 1 1 -16 -24 27 o 135.433 4.0644  2239.04    133.562  2877.42    208.182  1792.48    174.119  153.108 5.6038  120.756 5.9425  32.35172       8.168015 
1 1 1 -16 -24 28 o 117.865 5.7077  1706.83    163.234  1802.27    268.548  1650.90    205.568  119.541 9.3325  115.208 7.3928  4.333336       11.90583 
1 1 1 -16 -24 29 o 83.287  5.6139  856.118    112.788  1016.87    201.102  782.348    136.232  89.510  9.3997  79.171  7.1694  10.33900       11.82180 
1 1 1 -16 -24 30 o 90.510  5.6220  1011.12    122.856  987.593    214.951  1022.53    149.722  87.725  10.294  90.648  6.8579  -2.922394      12.36918 
1 1 1 -16 -24 31 o 26.283  8.7789  82.731     65.731   0.0000     0.0000   82.731     65.731   ?       ?       26.283  8.7789  0.000000       8.778910 
1 1 1 -16 -24 32 o 78.553  4.8753  760.050    92.465   0.0000     0.0000   760.050    92.465   ?       ?       78.553  4.8753  0.000000       4.875289 
1 1 1 -16 -24 33 o 83.402  4.8307  856.849    97.338   0.0000     0.0000   856.849    97.338   ?       ?       83.402  4.8307  0.000000       4.830657 
1 1 1 -16 -24 34 o 45.033  4.9038  252.134    52.717   295.503    114.974  240.590    59.319   47.156  10.334  43.786  5.7200  3.369793       11.81133 
1 1 1 -16 -24 35 o 131.003 4.0789  2102.68    129.655  2130.31    198.668  2082.19    171.119  130.998 6.2503  129.872 5.4302  1.125870       8.279701 
1 1 1 -16 -24 36 o 98.226  3.8282  1181.48    91.240   1212.96    142.667  1159.69    118.683  98.699  5.9855  96.853  5.0678  1.846321       7.842818 
1 1 1 -16 -24 37 o 46.170  4.3415  264.169    48.066   417.092    82.628   185.953    59.093   57.641  5.9956  38.076  6.6376  19.56530       8.944548 
1 1 1 -16 -24 38 o 131.327 4.1295  2118.57    131.588  2185.66    202.123  2069.22    173.359  132.312 6.2958  129.156 5.5318  3.155807       8.380833 
1 1 1 -16 -24 39 o 90.777  3.8202  1011.18    84.146   1169.21    133.870  907.964    108.189  96.778  5.7264  85.444  5.2438  11.33395       7.764610 
1 1 1 -16 -24 40 o 43.681  4.6983  238.303    49.013   306.991    83.262   201.880    60.631   48.784  7.2550  39.626  6.5337  9.157528       9.763465 
1 1 1 -16 -24 41 o 41.436  4.7109  214.947    46.522   114.927    80.479   265.143    57.013   29.752  9.7038  45.928  5.2081  -16.17634      11.01307 
1 1 1 -16 -24 42 f 29.880  7.9418  118.721    58.566   122.396    94.296   116.413    74.725   30.805  10.514  29.705  9.3162  1.099953       14.04741 
1 1 1 -16 -24 43 o 78.202  5.6653  768.791    106.771  648.767    163.346  858.329    141.084  69.320  10.001  81.811  7.1798  -12.49126      12.31119 
1 1 1 -16 -24 44 o 28.596  8.1142  108.908    58.911   122.807    95.132   100.262    75.028   30.736  10.559  27.951  9.3790  2.784935       14.12278 
1 1 1 -16 -24 45 o 61.657  4.4032  472.770    65.441   457.255    113.423  480.512    80.122   58.948  8.1477  61.788  5.3984  -2.839973      9.773882 
1 1 1 -16 -24 46 o 24.076  7.1457  75.615     44.763   117.823    85.800   59.830     52.470   29.919  10.030  22.409  7.8334  7.510603       12.72631 
1 1 1 -16 -24 47 o 17.071  6.8050  21.502     42.398   -53.5319   86.393   45.307     48.661   18.186  8.3929  20.411  7.4940  -2.224236      11.25171 
1 1 1 -16 -24 48 o 51.984  6.6982  349.700    82.521   477.453    154.401  298.615    97.636   57.830  11.409  46.889  8.9075  10.94076       14.47429 
1 1 1 -16 -24 49 o 31.820  8.2263  137.874    63.979   34.442     131.329  170.061    73.261   26.577  11.392  35.207  8.6404  -8.629519      14.29764 
1 1 1 -16 -24 50 o 14.838  6.6615  -17.7500   49.878   -142.7038  114.977  11.216     55.358   18.206  8.7699  17.796  7.5021  0.4105034      11.54093 
1 1 1 -16 -24 51 o 46.376  5.3631  274.655    59.236   207.141    111.179  301.418    69.999   37.443  11.295  48.263  6.1145  -10.82040      12.84420 
1 1 1 -16 -24 52 o 50.332  5.0298  321.927    60.604   246.738    113.075  352.230    71.785   40.643  11.136  52.317  5.7498  -11.67364      12.53306 
1 1 1 -16 -24 53 f 25.546  7.2516  88.555     47.041   118.130    97.602   79.606     53.688   29.407  10.641  24.438  7.9233  4.968946       13.26693 
1 1 1 -16 -24 54 f 34.002  6.5652  154.852    52.204   149.824    112.172  156.242    58.980   31.960  11.427  33.764  7.4033  -1.803354      13.61552 
1 1 1 -16 -24 55 o 28.766  8.3945  116.982    62.227   77.307     133.686  127.956    70.307   27.749  11.676  29.866  8.9763  -2.117470      14.72759 
1 1 1 -16 -24 56 o 31.010  8.2422  136.939    63.080   36.097     142.505  161.512    70.347   26.053  11.503  33.508  8.6070  -7.455240      14.36635 
1 1 1 -16 -24 57 o 41.692  7.4010  239.238    72.127   205.948    143.060  250.584    83.519   35.140  12.857  41.929  8.5002  -6.789330      15.41311 
1 1 1 -16 -24 58 o 22.712  9.0860  54.391     75.856   -53.9741   147.632  93.263     88.421   22.885  10.700  26.446  10.022  -3.560419      14.66078 
1 1 1 -16 -24 59 o 21.944  8.9078  46.249     74.077   98.786     163.082  32.592     83.149   29.402  12.651  21.696  9.1728  7.706182       15.62617 
1 1 1 -16 -24 60 o 16.828  7.3518  0.7816     56.836   -293.9562  128.188  72.900     63.409   15.774  7.8983  23.670  8.5751  -7.895689      11.65828 
1 1 1 -16 -24 61 o 21.258  8.3720  47.514     63.456   14.770     131.609  57.431     72.431   24.320  10.876  22.746  8.9487  1.573902       14.08445 
1 1 1 -16 -24 62 o 26.804  10.985  84.964     113.989  85.604     266.131  84.821     126.146  31.704  14.666  27.299  11.405  4.404272       18.57858 
1 1 1 -16 -24 63 o 34.651  11.970  200.421    122.352  317.583    302.991  177.593    133.742  37.705  16.704  32.825  12.353  4.879982       20.77492 
1 1 1 -16 -24 64 o 20.102  9.3301  -38.1362   109.030  -421.8073  291.463  24.288     117.566  23.587  11.825  23.355  10.373  0.2322083      15.72965 
1 1 1 -16 -23 1  o 79.413  4.4661  777.950    85.708   726.195    115.570  841.201    127.763  76.089  6.3169  81.858  6.4856  -5.768738      9.053521 
1 1 1 -16 -23 2  o 13.970  5.0917  19.724     22.405   -2.9799    42.447   28.492     26.379   14.912  6.4349  15.982  5.5561  -1.069747      8.501624 
1 1 1 -16 -23 3  o 55.162  4.8980  377.199    64.875   407.586    107.798  359.943    81.233   56.369  8.1154  53.477  6.3867  2.891327       10.32710 
1 1 1 -16 -23 4  o 44.495  5.1719  246.829    54.796   264.831    92.986   237.253    67.824   45.076  8.8176  43.230  6.6815  1.846333       11.06311 
1 1 1 -16 -23 5  o 98.024  5.1540  1184.55    122.155  1129.06    193.935  1221.03    157.275  94.388  8.5610  99.036  6.5824  -4.647850      10.79905 
1 1 1 -16 -23 6  o 36.048  4.5495  161.633    38.907   73.759     84.401   185.346    43.844   26.683  9.8575  38.594  4.7845  -11.91081      10.95731 
1 1 1 -16 -23 7  f 68.288  3.6465  570.648    60.203   515.437    98.744   603.312    75.952   64.301  6.4145  70.069  4.4910  -5.767967      7.830354 
1 1 1 -16 -23 8  o 70.522  3.6449  608.263    62.157   582.375    100.932  624.079    78.891   68.495  6.1382  71.271  4.5863  -2.776436      7.662339 
1 1 1 -16 -23 9  o 74.355  3.6800  674.261    66.393   450.287    106.879  815.000    84.723   59.831  7.5288  81.560  4.2963  -21.72905      8.668351 
1 1 1 -16 -23 10 o 86.321  3.6344  908.354    76.122   1033.86    121.891  828.104    97.465   91.647  5.5069  82.113  4.9144  9.533875       7.380878 
1 1 1 -16 -23 11 f 82.902  3.6563  837.667    73.548   783.427    117.871  872.250    94.119   79.610  6.1497  84.358  4.6157  -4.747223      7.689165 
1 1 1 -16 -23 12 o 66.429  3.7667  539.593    60.463   400.836    98.435   623.665    76.621   56.528  7.3507  71.328  4.4493  -14.80082      8.592347 
1 1 1 -16 -23 13 o 24.495  5.9683  76.531     35.146   8.9925     62.004   108.504    42.661   19.078  7.9854  29.185  6.2148  -10.10708      10.11882 
1 1 1 -16 -23 14 o 108.910 3.8104  1445.54    100.693  1313.60    155.852  1540.07    131.925  103.248 6.2505  112.260 4.8432  -9.012177      7.907337 
1 1 1 -16 -23 15 o 117.748 3.8747  1689.73    110.703  1633.84    170.185  1730.74    145.755  115.241 6.1081  118.980 5.0488  -3.739357      7.924533 
1 1 1 -16 -23 16 o 143.220 4.1375  2501.21    143.784  2452.28    217.380  2539.27    191.712  141.330 6.3390  144.029 5.4858  -2.698685      8.383111 
1 1 1 -16 -23 17 o 94.143  3.8224  1079.88    87.315   1093.56    134.548  1069.93    114.763  94.278  5.9116  93.420  5.0820  0.8580856      7.795734 
1 1 1 -16 -23 18 o 113.423 5.9451  1581.01    163.046  1581.01    163.046  0.0000     0.0000   113.423 5.9451  ?       ?       0.000000       5.945106 
1 1 1 -16 -23 19 o 62.879  6.4395  490.318    96.861   490.318    96.861   0.0000     0.0000   62.879  6.4395  ?       ?       0.000000       6.439453 
1 1 1 -16 -23 20 o 67.341  5.7686  559.429    93.348   509.079    148.503  592.320    120.025  63.156  10.026  68.980  7.2812  -5.823917      12.39081 
1 1 1 -16 -23 21 o 120.836 5.6434  1787.87    165.462  1667.46    249.230  1882.77    221.257  115.570 8.9577  123.375 7.4256  -7.805161      11.63529 
1 1 1 -16 -23 22 o 95.697  5.3553  1123.80    123.851  1307.02    197.435  1004.93    159.032  102.542 7.9985  90.017  7.3451  12.52499       10.85940 
1 1 1 -16 -23 23 o 134.186 4.0200  2194.99    130.887  2396.55    201.548  2047.99    172.121  139.816 5.9410  129.349 5.4841  10.46729       8.085228 
1 1 1 -16 -23 24 f 117.439 3.9033  1680.98    111.228  1688.88    174.156  1675.53    144.549  117.161 6.1476  117.061 5.0891  0.1008453      7.980731 
1 1 1 -16 -23 25 o 100.173 3.7828  1222.82    91.945   1290.82    147.822  1179.91    117.425  102.415 5.9745  98.124  4.9479  4.290642       7.757337 
1 1 1 -16 -23 26 o 26.949  6.2529  92.725     40.097   -10.6392   89.254   118.860    44.880   21.353  9.2725  30.567  6.2617  -9.213730      11.18880 
1 1 1 -16 -23 27 o 59.685  4.1456  436.695    59.664   419.645    109.091  443.972    71.268   57.689  8.0096  60.054  4.9345  -2.365620      9.407658 
1 1 1 -16 -23 28 o 82.835  3.9221  836.889    78.831   809.883    135.947  850.570    96.760   80.732  7.0096  83.263  4.8099  -2.531105      8.501128 
1 1 1 -16 -23 29 o 72.443  5.9290  648.994    103.306  1034.48    198.524  505.850    120.975  90.544  9.1624  63.356  8.0513  27.18811       12.19721 
1 1 1 -16 -23 30 o 85.282  6.8939  904.077    141.436  0.0000     0.0000   904.077    141.436  ?       ?       85.282  6.8939  0.000000       6.893909 
1 1 1 -16 -23 31 o 63.839  7.0671  510.298    107.633  0.0000     0.0000   510.298    107.633  ?       ?       63.839  7.0671  0.000000       7.067129 
1 1 1 -16 -23 32 o 67.448  4.9469  560.719    80.395   0.0000     0.0000   560.719    80.395   ?       ?       67.448  4.9469  0.000000       4.946929 
1 1 1 -16 -23 33 o 31.369  6.1150  125.464    44.871   98.048     110.061  130.930    49.140   30.408  11.252  31.973  6.5544  -1.564930      13.02186 
1 1 1 -16 -23 34 o 94.018  3.8005  1080.24    86.699   1001.61    135.441  1134.82    112.849  89.773  6.2570  96.025  4.8592  -6.252228      7.922205 
1 1 1 -16 -23 35 o 48.709  4.3090  292.952    50.402   301.927    83.216   287.752    63.342   48.705  7.2636  47.999  5.5404  0.7060738      9.135431 
1 1 1 -16 -23 36 o 61.991  3.9427  472.326    58.996   528.809    96.617   438.745    74.497   65.015  6.1997  59.445  5.2176  5.569901       8.103093 
1 1 1 -16 -23 37 o 14.392  5.9131  8.9658     33.135   12.351     58.701   7.3830     40.142   18.704  7.7941  15.458  6.4438  3.245516       10.11293 
1 1 1 -16 -23 38 o 84.587  3.8570  876.885    79.163   846.911    125.588  896.646    101.972  82.201  6.3457  85.118  4.9588  -2.917358      8.053455 
1 1 1 -16 -23 39 o 35.623  5.0440  159.746    42.380   181.922    73.433   148.671    51.894   37.110  8.3563  33.950  6.5369  3.160168       10.60937 
1 1 1 -16 -23 40 o 45.314  4.5608  255.606    49.464   258.216    82.161   254.122    61.949   44.481  7.9020  44.826  5.8339  -0.3446159     9.822203 
1 1 1 -16 -23 41 o 75.399  3.9177  700.393    71.427   845.369    117.340  615.053    90.028   82.077  5.9320  70.183  5.3264  11.89346       7.972355 
1 1 1 -16 -23 42 o 15.579  6.7112  -1.2649    46.013   35.619     79.389   -19.9225   56.464   22.717  9.2217  15.914  7.1200  6.803199       11.65055 
1 1 1 -16 -23 43 o 74.920  5.6847  705.167    102.569  701.608    160.817  707.607    133.171  72.699  9.3323  74.124  7.5079  -1.425034      11.97750 
1 1 1 -16 -23 44 o 29.437  8.1337  115.512    60.026   104.262    96.676   122.571    76.574   29.282  10.591  30.332  9.4173  -1.050205      14.17258 
1 1 1 -16 -23 45 f 51.943  4.7780  337.464    59.544   389.047    106.863  314.237    71.708   54.240  8.3906  49.651  6.0792  4.589420       10.36141 
1 1 1 -16 -23 46 o 17.147  6.7095  24.246     40.527   -54.8806   81.762   50.017     46.662   17.592  8.1347  20.837  7.3785  -3.245106      10.98251 
1 1 1 -16 -23 47 o 15.470  6.4360  9.3102     39.933   -32.1538   83.164   21.735     45.524   18.823  8.5120  17.537  7.0305  1.285719       11.04004 
1 1 1 -16 -23 48 o 49.110  6.9490  313.462    80.493   230.619    151.327  346.149    95.056   39.625  13.320  51.173  7.9107  -11.54791      15.49192 
1 1 1 -16 -23 49 o 28.521  8.3975  109.564    62.025   99.950     129.561  112.422    70.646   30.196  11.940  28.915  9.0567  1.281584       14.98637 
1 1 1 -16 -23 50 o 57.075  6.4054  420.026    87.175   394.440    167.478  429.535    102.096  50.571  13.425  57.089  7.5561  -6.517403      15.40506 
1 1 1 -16 -23 51 o 45.394  5.4242  263.201    58.561   135.267    109.696  314.194    69.256   31.541  11.298  49.437  5.8894  -17.89656      12.74050 
1 1 1 -16 -23 52 o 59.612  4.6958  447.528    67.372   427.248    124.394  455.947    80.144   55.198  9.6384  59.723  5.5958  -4.524078      11.14501 
1 1 1 -16 -23 53 o 47.698  5.3990  291.791    61.385   241.145    117.049  311.005    72.094   39.846  11.480  48.844  6.2246  -8.997280      13.05910 
1 1 1 -16 -23 54 o 18.733  7.1219  36.367     44.736   -65.8122   97.171   63.849     50.394   18.524  8.6671  22.368  7.6849  -3.844374      11.58340 
1 1 1 -16 -23 55 o 14.972  6.8511  -28.0177   55.894   -77.4637   123.440  -15.2648   62.689   20.586  9.6754  16.692  7.4828  3.893616       12.23137 
1 1 1 -16 -23 56 o 44.360  6.7640  263.836    70.501   46.489     137.688  341.070    82.077   26.346  11.478  50.448  6.8851  -24.10165      13.38489 
1 1 1 -16 -23 57 o 37.794  7.9908  200.628    70.987   200.287    138.786  200.749    82.611   34.970  12.684  37.002  9.2315  -2.032349      15.68745 
1 1 1 -16 -23 58 o 24.994  9.4690  79.397     78.906   30.705     151.261  97.601     92.487   26.186  11.689  27.001  10.246  -0.8149643     15.54415 
1 1 1 -16 -23 59 o 41.479  9.2091  251.400    90.270   333.122    171.977  220.322    106.054  42.679  14.198  37.442  10.968  5.237267       17.94137 
1 1 1 -16 -23 60 o 12.914  6.1669  -61.8344   54.123   117.605    124.571  -103.5898  60.091   29.365  11.677  12.258  6.0026  17.10751       13.12983 
1 1 1 -16 -23 61 o 30.114  8.8115  131.429    68.481   9.8028     148.525  164.266    77.173   25.249  11.401  33.399  9.2202  -8.149937      14.66242 
1 1 1 -16 -23 62 o 24.303  10.514  38.926     113.911  62.474     287.726  34.549     124.047  31.856  14.908  24.722  10.829  7.133875       18.42604 
1 1 1 -16 -23 63 o 23.181  10.172  25.064     109.872  108.643    293.381  11.430     118.495  32.559  15.176  23.139  10.336  9.420324       18.36176 
1 1 1 -16 -23 64 o 39.962  11.339  263.335    115.043  637.521    349.472  217.857    121.834  45.399  18.976  35.733  11.952  9.665283       22.42639 
1 1 1 -16 -22 1  o 31.010  4.3588  120.201    31.891   116.122    56.388   122.120    38.670   29.861  7.7242  31.051  5.3241  -1.190413      9.381362 
1 1 1 -16 -22 2  o 99.747  3.7534  1216.35    90.843   1059.60    145.855  1315.69    116.114  92.161  6.5653  103.537 4.6220  -11.37525      8.029064 
1 1 1 -16 -22 3  o 10.831  4.6562  -1.5876    22.059   55.796     43.570   -21.3658   25.579   21.624  7.1442  9.8068  4.5402  11.81752       8.464784 
1 1 1 -16 -22 4  o 105.011 5.3159  1358.68    135.009  1151.70    212.806  1498.11    174.659  95.129  9.3399  109.841 6.5837  -14.71191      11.42713 
1 1 1 -16 -22 5  o 128.422 5.5731  2027.49    173.660  2005.24    269.277  2043.32    227.226  126.182 8.8511  128.111 7.3404  -1.928459      11.49883 
1 1 1 -16 -22 6  o 142.986 5.7797  2513.34    200.520  2625.94    307.672  2430.20    264.382  144.663 8.8073  139.633 7.8350  5.029663       11.78790 
1 1 1 -16 -22 7  o 83.577  3.6377  851.611    73.769   774.084    118.221  901.045    94.403   79.080  6.2112  85.732  4.5545  -6.651917      7.702059 
1 1 1 -16 -22 8  o 97.961  3.6669  1169.68    87.161   1279.78    137.446  1095.63    112.726  102.011 5.5740  94.506  4.9329  7.504143       7.443379 
1 1 1 -16 -22 9  o 103.718 3.7208  1311.01    93.637   1285.77    145.331  1328.93    122.439  102.204 5.8852  104.261 4.8399  -2.056763      7.619716 
1 1 1 -16 -22 10 o 133.962 4.0543  2188.34    131.783  1888.11    199.303  2421.58    175.666  123.726 6.6634  140.701 5.1455  -16.97514      8.418817 
1 1 1 -16 -22 11 o 47.202  4.1430  273.747    46.971   278.107    79.098   271.372    58.378   47.008  7.1609  46.820  5.2279  0.1880608      8.866236 
1 1 1 -16 -22 12 o 76.978  3.6642  721.689    68.440   757.489    110.361  699.317    87.242   78.421  5.8418  75.524  4.7855  2.896309       7.551676 
1 1 1 -16 -22 13 o 86.721  3.6804  915.860    77.443   887.311    122.786  934.720    99.796   84.887  6.0000  87.377  4.7247  -2.489807      7.636905 
1 1 1 -16 -22 14 o 26.451  6.0227  89.099     37.788   43.402     65.972   111.413    46.100   22.524  8.6281  29.558  6.5952  -7.034168      10.86003 
1 1 1 -16 -22 15 o 93.378  3.7553  1061.86    85.084   911.749    133.137  1165.49    110.621  85.981  6.4282  97.728  4.6651  -11.74703      7.942553 
1 1 1 -16 -22 16 o 79.610  3.8468  771.927    74.307   635.356    115.235  869.132    97.219   71.638  6.7076  84.252  4.7752  -12.61448      8.233725 
1 1 1 -16 -22 17 o 69.450  6.1374  595.426    102.359  595.426    102.359  0.0000     0.0000   69.450  6.1374  ?       ?       0.000000       6.137381 
1 1 1 -16 -22 18 o 156.632 6.4940  3009.22    246.804  3009.22    246.804  0.0000     0.0000   156.632 6.4940  ?       ?       0.000000       6.493958 
1 1 1 -16 -22 19 o 14.398  6.0684  2.6539     36.210   50.024     63.674   -19.9870   44.020   22.924  8.5434  13.983  6.2692  8.940791       10.59684 
1 1 1 -16 -22 20 o 169.234 6.3145  3510.83    259.294  3482.98    380.931  3534.88    353.948  167.259 9.4247  168.835 8.6692  -1.575989      12.80545 
1 1 1 -16 -22 21 o 72.369  5.3775  643.656    93.753   692.731    157.201  616.566    116.797  74.299  8.8967  70.522  6.9146  3.777145       11.26781 
1 1 1 -16 -22 22 o 73.732  5.3091  667.836    94.345   547.151    155.422  738.254    118.721  65.577  10.091  77.335  6.3839  -11.75783      11.94106 
1 1 1 -16 -22 23 o 89.787  3.7340  981.730    81.349   1131.10    132.274  890.869    103.165  95.972  5.7060  85.260  5.0088  10.71170       7.592504 
1 1 1 -16 -22 24 o 22.788  6.2514  65.671     35.607   169.861    74.454   34.774     40.544   36.343  8.5806  18.711  6.8449  17.63245       10.97627 
1 1 1 -16 -22 25 o 79.604  3.7420  771.796    72.276   782.493    119.872  765.686    90.597   79.638  6.2538  79.055  4.7450  0.5829086      7.850119 
1 1 1 -16 -22 26 o 72.273  3.9471  638.431    68.957   779.182    119.399  567.989    84.468   79.458  6.2433  67.971  5.1601  11.48684       8.099689 
1 1 1 -16 -22 27 o 45.081  5.1033  251.580    54.840   460.950    116.353  191.786    62.179   60.538  8.1263  38.942  6.8297  21.59615       10.61511 
1 1 1 -16 -22 28 o 145.993 5.1589  2607.26    182.749  2819.90    240.216  2315.11    281.575  151.453 6.5367  136.344 8.5546  15.10872       10.76613 
1 1 1 -16 -22 29 o 89.014  6.9471  982.096    148.858  0.0000     0.0000   982.096    148.858  ?       ?       89.014  6.9471  0.000000       6.947063 
1 1 1 -16 -22 30 o 89.309  6.8704  989.030    147.740  0.0000     0.0000   989.030    147.740  ?       ?       89.309  6.8704  0.000000       6.870447 
1 1 1 -16 -22 31 o 72.890  6.8370  661.190    119.508  0.0000     0.0000   661.190    119.508  ?       ?       72.890  6.8370  0.000000       6.837026 
1 1 1 -16 -22 32 o 151.761 4.3604  2815.31    160.565  3513.13    252.447  2341.23    208.076  168.900 6.1599  137.861 6.2204  31.03925       8.754313 
1 1 1 -16 -22 33 o 124.833 3.9877  1903.44    120.787  1866.95    184.359  1930.88    159.881  122.894 6.2026  125.418 5.2538  -2.524269      8.128656 
1 1 1 -16 -22 34 f 98.873  3.8130  1193.99    91.478   1235.45    142.201  1164.73    119.482  99.948  5.8896  97.275  5.0798  2.673698       7.777676 
1 1 1 -16 -22 35 o 7.4276  3.7027  -69.7832   26.819   -152.9077  52.012   -39.6777   31.301   9.8534  4.9474  9.9471  4.7333  -0.9370232E-01 6.846962 
1 1 1 -16 -22 36 o 101.370 3.8890  1256.92    95.655   1193.47    148.233  1302.20    125.215  97.955  6.2696  102.902 5.0150  -4.947327      8.028585 
1 1 1 -16 -22 37 o 34.757  6.3861  154.489    51.872   177.681    72.626   130.338    74.113   36.842  8.3209  31.612  9.1430  5.230116       12.36245 
1 1 1 -16 -22 38 o 13.071  5.8779  -17.8386   39.012   17.093     57.802   -47.0620   52.869   18.971  7.8039  13.818  6.4412  5.153499       10.11875 
1 1 1 -16 -22 39 o 18.673  6.5645  38.897     36.872   100.037    65.973   11.123     44.466   27.972  8.7505  16.500  6.8218  11.47211       11.09541 
1 1 1 -16 -22 40 o 28.856  6.0897  107.479    41.298   71.408     72.698   124.666    50.181   25.300  9.1793  30.949  6.8624  -5.648310      11.46092 
1 1 1 -16 -22 41 o 28.627  6.0668  105.959    40.830   68.561     74.030   122.309    48.949   25.074  9.2376  30.637  6.7654  -5.563068      11.45009 
1 1 1 -16 -22 42 o 26.485  8.0249  90.949     56.027   -3.2388    97.151   137.884    68.580   22.141  9.6442  32.145  8.6169  -10.00417      12.93293 
1 1 1 -16 -22 43 o 83.144  5.6486  866.296    113.280  817.140    173.436  902.868    149.598  78.684  9.2616  83.939  7.4216  -5.255013      11.86837 
1 1 1 -16 -22 44 o 80.068  5.8116  806.220    112.138  793.036    173.055  815.762    147.230  77.265  9.4262  79.487  7.7316  -2.222466      12.19139 
1 1 1 -16 -22 45 o 42.066  4.9218  222.500    49.287   262.645    88.078   204.198    59.470   44.387  8.4874  39.810  6.3715  4.577366       10.61281 
1 1 1 -16 -22 46 o 57.826  4.5395  416.423    63.181   487.761    111.955  383.086    76.533   61.218  7.7079  54.990  5.8246  6.227821       9.661112 
1 1 1 -16 -22 47 o 90.390  4.2056  1009.45    92.239   1051.07    154.474  986.394    114.989  90.509  7.0907  88.703  5.3679  1.806381       8.893374 
1 1 1 -16 -22 48 o 58.208  5.4706  427.756    76.358   542.881    115.861  339.358    101.525  64.575  7.5362  50.349  8.6203  14.22589       11.45006 
1 1 1 -16 -22 49 o 23.055  8.2286  62.633     58.144   -69.5967   124.137  99.795     65.809   21.638  10.012  27.484  8.7578  -5.846155      13.30182 
1 1 1 -16 -22 50 o 40.850  7.9688  224.099    76.150   234.816    156.361  220.766    87.189   39.569  13.538  39.967  9.1836  -0.3976173     16.35936 
1 1 1 -16 -22 51 o 46.339  5.2596  273.037    58.090   338.554    110.474  247.999    68.294   49.333  9.5744  43.540  6.6775  5.793041       11.67295 
1 1 1 -16 -22 52 o 31.463  6.9109  132.533    51.316   0.4696     107.685  171.335    58.370   22.727  10.019  35.858  6.9598  -13.13105      12.19873 
1 1 1 -16 -22 53 o 54.427  5.3408  378.103    69.623   234.729    122.354  446.757    84.667   39.224  11.853  58.824  6.0166  -19.60039      13.29290 
1 1 1 -16 -22 54 o 50.619  5.6647  330.530    68.382   378.353    122.955  309.114    82.281   51.028  10.286  48.031  7.2890  2.996689       12.60662 
1 1 1 -16 -22 55 o 37.619  7.7126  194.722    68.035   193.562    132.007  195.142    79.392   35.215  12.417  36.959  8.9485  -1.744614      15.30521 
1 1 1 -16 -22 56 o 28.010  8.5485  110.719    63.410   191.722    131.545  86.200     72.373   34.798  12.381  25.536  9.1734  9.262398       15.40946 
1 1 1 -16 -22 57 o 57.845  5.7162  435.039    79.181   402.066    151.757  447.373    92.816   49.580  12.591  57.945  6.7267  -8.365215      14.27532 
1 1 1 -16 -22 58 o 65.330  7.3553  578.149    114.567  403.446    200.793  662.477    139.503  45.811  15.344  68.777  8.5435  -22.96567      17.56173 
1 1 1 -16 -22 59 o 20.678  8.5964  31.467     71.169   -120.5419  161.662  68.008     79.263   22.147  10.599  24.111  9.3973  -1.963795      14.16469 
1 1 1 -16 -22 60 o 12.296  5.9598  -81.1048   55.125   -119.1692  122.126  -71.3651   61.776   19.032  9.1351  13.700  6.5549  5.332183       11.24352 
1 1 1 -16 -22 61 o 71.432  5.6278  660.994    96.752   663.570    180.499  659.956    114.607  65.141  11.857  70.376  6.7960  -5.235199      13.66616 
1 1 1 -16 -22 62 o 33.207  11.673  173.870    116.591  454.923    342.535  137.041    123.995  42.545  18.320  30.589  11.800  11.95593       21.79125 
1 1 1 -16 -22 63 o 18.297  8.5391  -52.5216   93.338   -43.6401   321.042  -53.3416   97.552   30.392  14.643  18.695  8.7265  11.69662       17.04627 
1 1 1 -16 -22 64 o 24.159  10.086  58.578     98.571   -285.5004  331.276  92.000     103.248  26.767  13.289  26.539  10.606  0.2282314      17.00226 
1 1 1 -16 -21 1  o 52.367  3.6400  336.519    45.964   284.678    78.274   363.803    56.786   47.379  7.0212  54.332  4.3437  -6.953129      8.256224 
1 1 1 -16 -21 2  o 142.000 4.1813  2466.17    144.065  2353.01    223.239  2546.93    188.593  137.846 6.6744  143.919 5.4006  -6.072525      8.585684 
1 1 1 -16 -21 3  o 129.246 3.9891  2040.34    125.099  2052.53    195.451  2031.89    162.818  129.002 6.2442  128.671 5.2151  0.3318024      8.135537 
1 1 1 -16 -21 4  o 100.765 3.6769  1238.36    89.899   1288.89    143.163  1205.46    115.515  102.243 5.7946  99.233  4.7975  3.009415       7.522852 
1 1 1 -16 -21 5  o 18.642  6.5052  38.278     36.178   33.793     63.879   40.395     43.896   21.354  8.4030  19.748  7.1377  1.606518       11.02532 
1 1 1 -16 -21 6  o 131.632 5.5921  2124.29    178.608  2261.42    277.078  2026.80    233.624  134.639 8.5254  127.813 7.5669  6.825829       11.39911 
1 1 1 -16 -21 7  o 6.0001  3.0356  -77.0688   21.947   -49.6276   47.593   -84.4805   24.734   12.814  6.0177  6.4397  3.2547  6.373935       6.841477 
1 1 1 -16 -21 8  o 61.892  3.6881  468.251    55.135   473.382    88.058   464.942    70.711   61.865  5.9392  61.516  4.7748  0.3495560      7.620531 
1 1 1 -16 -21 9  o 187.219 4.7930  4280.21    217.733  3703.90    322.751  4761.57    294.965  173.281 7.6763  197.046 6.1693  -23.76544      9.848169 
1 1 1 -16 -21 10 o 49.006  3.8170  294.273    45.030   351.060    71.573   257.071    57.931   53.275  5.6218  45.550  5.3430  7.724537       7.755830 
1 1 1 -16 -21 11 o 51.945  3.9593  330.607    49.528   334.401    82.524   328.470    61.920   51.774  6.7281  51.625  5.0061  0.1489182      8.386235 
1 1 1 -16 -21 12 o 31.844  5.3298  127.210    39.726   191.080    67.034   92.635     49.320   38.793  7.3915  27.005  7.3364  11.78817       10.41423 
1 1 1 -16 -21 13 o 124.374 3.9337  1883.98    118.711  1856.42    181.645  1904.53    156.838  123.130 6.0799  124.873 5.1763  -1.743507      7.984936 
1 1 1 -16 -21 14 o 177.671 4.6529  3850.17    200.587  3384.71    297.423  4238.50    271.668  165.916 7.3879  186.083 6.0168  -20.16750      9.528056 
1 1 1 -16 -21 15 o 151.492 4.3083  2796.87    158.364  2500.84    236.494  3037.53    213.229  142.766 6.8270  157.636 5.5748  -14.87032      8.813982 
1 1 1 -16 -21 16 o 14.779  6.8042  -42.7008   56.296   -42.7008   56.296   0.0000     0.0000   14.779  6.8042  ?       ?       0.000000       6.804173 
1 1 1 -16 -21 17 o 151.081 6.4373  2796.67    235.981  2796.67    235.981  0.0000     0.0000   151.081 6.4373  ?       ?       0.000000       6.437286 
1 1 1 -16 -21 18 f 80.929  3.7773  797.284    74.173   737.820    117.807  836.339    95.472   77.364  6.3312  82.667  4.7801  -5.302582      7.933075 
1 1 1 -16 -21 19 o 77.213  3.9413  727.847    73.595   634.642    114.682  793.106    95.961   71.647  6.6736  80.471  4.9385  -8.824142      8.302184 
1 1 1 -16 -21 20 o 150.934 5.8861  2786.74    215.566  3182.25    322.066  2465.76    290.140  160.435 8.3018  141.101 8.5144  19.33389       11.89176 
1 1 1 -16 -21 21 o 10.160  4.8958  -55.4205   35.910   -110.7875  99.541   -47.1369   38.502   18.212  8.5990  11.152  5.2899  7.060251       10.09577 
1 1 1 -16 -21 22 o 152.059 5.9391  2829.22    219.127  3151.86    327.378  2567.36    294.939  159.576 8.4855  143.980 8.4798  15.59630       11.99634 
1 1 1 -16 -21 23 o 173.542 6.3347  3689.93    266.745  3967.91    392.480  3451.31    363.638  178.825 9.0751  166.771 9.0199  12.05396       12.79513 
1 1 1 -16 -21 24 o 116.890 3.9539  1664.15    112.143  1896.39    179.028  1514.18    143.864  124.478 5.9274  111.322 5.3261  13.15562       7.968770 
1 1 1 -16 -21 25 o 28.455  6.0557  102.865    40.526   219.179    88.316   71.841     45.612   41.297  9.0625  24.058  7.2297  17.23926       11.59300 
1 1 1 -16 -21 26 o 46.101  5.0144  262.562    55.186   414.347    172.166  245.180    58.261   56.171  12.903  44.443  5.5216  11.72786       14.03522 
1 1 1 -16 -21 27 f 47.071  6.3402  276.485    70.572   306.934    118.170  259.604    87.986   48.729  10.316  45.152  8.3382  3.577477       13.26422 
1 1 1 -16 -21 28 o 190.612 6.5225  4461.20    301.668  0.0000     0.0000   4461.20    301.668  ?       ?       190.612 6.5225  0.000000       6.522535 
1 1 1 -16 -21 29 o 50.489  7.7687  321.705    92.120   0.0000     0.0000   321.705    92.120   ?       ?       50.489  7.7687  0.000000       7.768677 
1 1 1 -16 -21 30 o 12.931  6.0851  -52.7022   49.088   0.0000     0.0000   -52.7022   49.088   ?       ?       12.931  6.0851  0.000000       6.085114 
1 1 1 -16 -21 31 o 136.372 5.9775  2283.43    197.792  2511.45    319.636  2141.95    251.788  141.520 9.3613  131.259 7.9431  10.26091       12.27708 
1 1 1 -16 -21 32 o 15.365  6.1887  13.312     35.455   45.455     60.656   -3.3696    43.697   22.087  8.3174  15.189  6.5417  6.898260       10.58172 
1 1 1 -16 -21 33 o 101.265 3.8441  1251.31    94.454   1297.72    146.216  1218.07    123.738  102.563 5.9003  99.557  5.1398  3.006516       7.825055 
1 1 1 -16 -21 34 o 130.934 4.0979  2094.78    130.191  2029.08    197.619  2145.16    173.053  128.228 6.3516  132.156 5.3967  -3.927658      8.334696 
1 1 1 -16 -21 35 o 137.283 4.2086  2305.29    140.192  2137.31    212.463  2434.82    186.573  131.211 6.6957  140.695 5.4652  -9.483475      8.642974 
1 1 1 -16 -21 36 o 48.850  4.4068  294.658    51.672   268.052    83.594   311.108    65.733   45.721  7.8161  49.968  5.5134  -4.246983      9.565024 
1 1 1 -16 -21 37 o 54.804  5.1848  372.919    68.126   439.919    91.537   289.732    101.998  59.208  6.4773  47.042  9.2657  12.16635       11.30522 
1 1 1 -16 -21 38 o 42.761  4.6824  227.326    47.789   191.695    79.492   247.493    59.802   38.169  8.7677  44.398  5.6815  -6.229057      10.44757 
1 1 1 -16 -21 39 o 18.124  6.6111  33.934     37.783   160.522    67.825   -23.0243   45.496   34.966  8.1456  13.933  6.2988  21.03307       10.29684 
1 1 1 -16 -21 40 f 36.439  5.2051  167.273    44.713   111.750    78.833   193.605    54.291   29.617  9.6010  39.062  5.9129  -9.445562      11.27571 
1 1 1 -16 -21 41 o 90.289  3.9481  1000.74    86.494   980.753    138.719  1013.45    110.633  88.276  6.5225  90.386  5.0649  -2.109756      8.258121 
1 1 1 -16 -21 42 o 98.812  5.6623  1219.09    135.192  1281.96    204.176  1170.01    180.404  99.587  8.5320  95.563  7.8496  4.023422       11.59360 
1 1 1 -16 -21 43 o 37.087  7.4559  180.348    64.767   157.377    105.004  194.454    82.284   34.266  11.078  38.014  9.0510  -3.748154      14.30513 
1 1 1 -16 -21 44 o 130.138 6.0663  2123.27    191.554  1988.67    285.053  2234.11    258.663  122.663 9.6555  131.596 8.1408  -8.932709      12.62936 
1 1 1 -16 -21 45 o 32.182  5.8176  133.265    43.756   37.945     78.578   176.105    52.679   22.762  9.1974  37.028  6.0740  -14.26512      11.02207 
1 1 1 -16 -21 46 o 46.544  5.0705  272.305    56.337   125.599    105.483  330.855    66.638   31.388  11.096  51.226  5.4447  -19.83748      12.35979 
1 1 1 -16 -21 47 o 27.457  7.2355  99.716     48.882   55.544     93.348   116.406    57.378   25.273  10.090  29.540  7.8653  -4.267036      12.79354 
1 1 1 -16 -21 48 o 30.862  6.7507  125.331    49.144   291.505    93.859   62.567     57.683   46.643  8.6105  23.087  8.2006  23.55594       11.89079 
1 1 1 -16 -21 49 f 39.725  7.6065  209.355    70.648   220.594    143.197  205.738    81.221   38.956  12.956  38.866  8.8153  0.9031677E-01  15.67023 
1 1 1 -16 -21 50 o 47.379  7.0597  293.461    78.679   462.237    164.237  243.189    89.634   56.057  12.403  42.121  9.0408  13.93600       15.34848 
1 1 1 -16 -21 51 o 82.896  4.5620  858.205    91.407   708.103    152.862  941.750    114.042  72.462  8.8800  86.315  5.4735  -13.85335      10.43136 
1 1 1 -16 -21 52 o 48.381  5.6934  300.127    65.557   331.712    116.647  285.544    79.259   48.229  10.282  46.414  7.2770  1.815010       12.59652 
1 1 1 -16 -21 53 o 73.230  4.7660  675.079    84.225   610.934    143.357  708.892    104.083  66.591  9.1114  74.404  5.8113  -7.813766      10.80694 
1 1 1 -16 -21 54 o 52.701  5.4951  356.385    69.236   377.700    122.299  346.332    83.990   51.132  10.215  51.140  6.9486  -0.7965088E-02 12.35421 
1 1 1 -16 -21 55 o 36.055  8.1323  180.992    69.449   488.925    138.040  76.631     80.361   58.124  10.158  25.199  9.5536  32.92501       13.94447 
1 1 1 -16 -21 56 o 52.651  6.2346  363.892    78.102   358.772    152.861  365.702    90.856   46.632  13.014  52.008  7.4093  -5.375282      14.97571 
1 1 1 -16 -21 57 o 31.902  8.5839  145.682    67.905   257.487    132.261  105.662    79.130   39.679  12.386  27.531  9.6200  12.14779       15.68310 
1 1 1 -16 -21 58 o 55.327  8.1954  424.975    106.691  463.204    197.876  409.306    126.684  50.093  15.060  52.424  10.327  -2.331001      18.26014 
1 1 1 -16 -21 59 o 36.315  9.9656  197.804    90.470   324.587    182.039  156.218    104.257  42.064  14.597  32.071  11.051  9.992889       18.30872 
1 1 1 -16 -21 60 o 15.993  7.0583  -5.8582    53.606   -54.8289   140.783  2.4458     57.973   22.600  10.527  17.167  7.4639  5.432501       12.90456 
1 1 1 -16 -21 61 o 46.688  6.8237  292.427    75.019   403.610    168.866  265.089    83.736   48.331  13.746  43.501  8.2348  4.829781       16.02407 
1 1 1 -16 -21 62 o 76.916  8.6702  830.591    158.989  1459.33    408.834  718.563    172.573  78.516  21.036  69.315  10.597  9.200813       23.55426 
1 1 1 -16 -21 63 o 69.238  9.1817  690.286    150.446  1142.81    405.555  618.075    162.006  62.803  21.788  63.552  10.898  -0.7483406     24.36161 
1 1 1 -16 -21 64 o 26.600  10.637  91.738     103.914  496.512    334.388  48.470     109.326  42.163  18.127  24.241  10.392  17.92155       20.89480 
1 1 1 -16 -20 1  o 33.034  4.1098  135.366    32.230   158.061    56.331   124.321    39.298   35.168  6.8477  31.396  5.3504  3.771782       8.690125 
1 1 1 -16 -20 2  o 79.850  3.5643  777.420    69.058   755.466    113.079  790.478    87.210   78.135  6.0106  80.277  4.4954  -2.141953      7.505703 
1 1 1 -16 -20 3  o 31.362  4.2835  122.303    31.744   45.853     56.522   157.530    38.367   21.701  8.0569  35.620  4.5426  -13.91865      9.249245 
1 1 1 -16 -20 4  o 120.720 3.8316  1776.70    112.233  1936.90    175.129  1665.06    146.202  125.664 5.7436  116.633 5.1662  9.030464       7.725161 
1 1 1 -16 -20 5  o 139.678 5.8450  2391.95    198.095  2225.51    305.506  2512.70    260.212  133.279 9.5094  142.472 7.5542  -9.193542      12.14474 
1 1 1 -16 -20 6  o 136.888 5.7774  2295.35    191.894  2178.00    296.119  2380.30    251.957  132.037 9.3024  138.746 7.5121  -6.709885      11.95683 
1 1 1 -16 -20 7  o 125.478 5.5588  1926.40    169.244  1908.55    263.027  1939.01    221.092  123.817 8.8125  125.302 7.3036  -1.485634      11.44567 
1 1 1 -16 -20 8  o 207.361 5.7778  5262.37    290.704  4802.05    537.545  5452.65    345.603  195.349 11.390  210.739 6.7588  -15.38980      13.24444 
1 1 1 -16 -20 9  o 23.402  5.4969  69.621     30.682   92.988     49.281   54.830     39.207   27.055  7.3266  21.311  6.7565  5.743114       9.966408 
1 1 1 -16 -20 10 o 29.115  5.0378  106.398    34.301   79.164     55.028   123.704    43.865   25.469  7.9957  31.282  5.9974  -5.813377      9.995027 
1 1 1 -16 -20 11 o 12.866  5.3467  4.5496     27.518   -16.4670   45.043   17.064     34.758   14.438  6.4161  15.722  6.1947  -1.283840      8.918518 
1 1 1 -16 -20 12 o 9.6534  4.5808  -35.7635   28.926   -46.9861   52.704   -30.9255   34.604   13.917  6.4686  11.292  5.2461  2.625235       8.328507 
1 1 1 -16 -20 13 o 210.528 5.1770  5410.19    264.457  5999.91    387.739  4897.23    361.623  221.065 7.2286  199.642 7.4652  21.42290       10.39143 
1 1 1 -16 -20 14 o 127.277 4.0008  1972.44    123.555  1776.66    186.293  2126.18    165.087  120.291 6.4057  131.988 5.1549  -11.69640      8.222267 
1 1 1 -16 -20 15 o 112.936 5.9437  1563.82    162.301  1563.82    162.301  0.0000     0.0000   112.936 5.9437  ?       ?       0.000000       5.943692 
1 1 1 -16 -20 16 o 164.675 6.6328  3322.07    265.026  3322.07    265.026  0.0000     0.0000   164.675 6.6328  ?       ?       0.000000       6.632809 
1 1 1 -16 -20 17 o 183.762 4.6837  4116.69    208.839  3869.16    308.997  4324.84    283.352  177.577 7.1714  188.007 6.2114  -10.43013      9.487371 
1 1 1 -16 -20 18 o 47.825  4.7413  281.561    54.295   301.780    86.295   268.312    69.854   49.031  7.4914  46.399  6.3730  2.632351       9.835439 
1 1 1 -16 -20 19 o 167.885 4.4068  3434.11    179.513  3588.96    269.006  3309.80    241.031  171.204 6.4757  164.510 6.0383  6.694382       8.854132 
1 1 1 -16 -20 20 o 161.517 4.2808  3177.84    167.765  3758.88    252.297  2717.29    224.620  175.337 5.9303  149.022 6.2120  26.31555       8.588207 
1 1 1 -16 -20 21 o 122.093 5.5112  1820.77    163.268  1987.50    249.503  1695.91    215.913  126.804 8.1524  117.232 7.6320  9.572006       11.16733 
1 1 1 -16 -20 22 o 122.637 5.7482  1838.24    171.049  2341.95    270.887  1504.22    220.587  137.681 8.1449  110.196 8.3111  27.48535       11.63677 
1 1 1 -16 -20 23 o 96.450  5.6368  1140.58    131.342  1505.72    218.293  933.391    164.437  110.265 8.2180  86.753  7.8983  23.51167       11.39822 
1 1 1 -16 -20 24 o ?       ?       -190.9425  32.703   -293.0253  67.864   -160.0666  37.323   ?       ?       ?       ?       0.000000       ?        
1 1 1 -16 -20 25 o 14.839  5.7923  16.248     30.148   -94.6594   76.040   36.934     32.840   15.557  7.3952  18.139  6.2045  -2.582373      9.653249 
1 1 1 -16 -20 26 f 24.953  6.1090  79.246     36.690   13.306     84.868   94.404     40.689   22.377  9.3522  27.228  6.2861  -4.850796      11.26852 
1 1 1 -16 -20 27 o 24.578  8.8782  62.826     67.899   0.0000     0.0000   62.826     67.899   ?       ?       24.578  8.8782  0.000000       8.878202 
1 1 1 -16 -20 28 f 207.123 6.8978  5269.60    346.661  0.0000     0.0000   5269.60    346.661  ?       ?       207.123 6.8978  0.000000       6.897833 
1 1 1 -16 -20 29 o 124.592 7.5016  1918.95    225.724  0.0000     0.0000   1918.95    225.724  ?       ?       124.592 7.5016  0.000000       7.501597 
1 1 1 -16 -20 30 o 130.491 5.9053  2086.71    186.976  2277.68    303.694  1970.13    237.279  135.030 9.3264  126.099 7.7932  8.930183       12.15383 
1 1 1 -16 -20 31 o 142.488 5.9634  2490.24    206.174  2513.96    320.239  2473.45    269.444  141.757 9.3631  141.223 7.8948  0.5341187      12.24723 
1 1 1 -16 -20 32 f 102.249 5.5163  1284.87    136.351  1397.42    218.984  1213.60    174.252  105.699 8.6133  98.881  7.3146  6.817314       11.30013 
1 1 1 -16 -20 33 o 36.370  5.1686  165.175    44.329   76.637     74.609   213.484    55.111   26.342  9.3297  41.342  5.6411  -15.00046      10.90260 
1 1 1 -16 -20 34 o 83.589  3.7924  852.503    76.918   946.031    122.087  790.945    99.047   87.546  5.7799  80.172  5.1184  7.374588       7.720394 
1 1 1 -16 -20 35 o 38.005  5.0316  180.124    45.258   223.908    73.950   153.903    57.227   41.849  7.5610  34.651  7.0465  7.197788       10.33540 
1 1 1 -16 -20 36 o 71.840  3.9147  632.494    67.980   644.514    108.287  624.675    87.334   71.966  6.2638  71.146  5.0927  0.8195190      8.072884 
1 1 1 -16 -20 37 o 45.020  3.9822  249.799    43.052   246.572    60.097   253.201    61.703   44.362  5.7162  44.944  5.7929  -0.5827484     8.138321 
1 1 1 -16 -20 38 o 23.551  5.7254  71.222     32.399   7.1048     44.867   141.088    46.835   16.237  6.7941  33.278  6.0219  -17.04153      9.078752 
1 1 1 -16 -20 39 o 44.361  4.0099  243.027    42.695   212.839    60.152   273.674    60.609   40.959  6.2506  46.771  5.4425  -5.811573      8.287962 
1 1 1 -16 -20 40 f 95.391  3.6309  1113.74    84.040   1107.92    120.312  1119.29    117.440  94.546  5.2654  95.089  5.1087  -0.5439529     7.336447 
1 1 1 -16 -20 41 o 69.720  3.6270  596.927    61.146   611.331    86.848   582.769    86.103   70.138  5.1390  68.444  5.2242  1.694061       7.328095 
1 1 1 -16 -20 42 o 127.352 5.3539  2011.76    165.439  2102.44    220.113  1894.02    250.813  128.981 7.0600  121.253 8.5804  7.728615       11.11161 
1 1 1 -16 -20 43 o 89.245  4.8472  987.909    104.570  967.257    135.434  1018.40    164.549  87.590  6.4172  89.175  7.6797  -1.584801      10.00791 
1 1 1 -16 -20 44 o 121.546 5.2518  1835.75    154.887  1878.49    205.348  1779.35    235.902  121.678 6.9845  117.331 8.3405  4.347198       10.87875 
1 1 1 -16 -20 45 o 60.097  3.7335  445.404    54.172   442.010    76.952   448.739    76.275   59.346  5.4031  59.833  5.3090  -0.4868088     7.574868 
1 1 1 -16 -20 46 o 59.029  3.8948  430.572    55.471   379.558    77.411   484.414    79.527   54.746  5.9220  62.151  5.3249  -7.405479      7.963968 
1 1 1 -16 -20 47 o 91.191  3.7236  1022.57    82.391   1029.39    117.333  1015.94    115.720  90.703  5.3551  90.127  5.3152  0.5762177      7.545025 
1 1 1 -16 -20 48 o 85.117  3.7871  891.864    78.214   891.007    112.213  892.674    109.075  84.230  5.5211  84.394  5.3544  -0.1636200     7.690986 
1 1 1 -16 -20 49 o 89.937  6.4780  1030.36    140.418  863.953    238.688  1118.43    173.645  76.841  13.282  92.758  7.7873  -15.91649      15.39683 
1 1 1 -16 -20 50 o 77.062  6.6387  761.757    122.923  833.033    212.794  726.061    150.589  76.421  11.860  73.938  8.5516  2.482574       14.62175 
1 1 1 -16 -20 51 o 87.688  4.0007  951.439    85.121   822.072    117.619  1093.71    123.345  80.291  6.0825  93.077  5.4858  -12.78594      8.190855 
1 1 1 -16 -20 52 o 16.003  6.3351  20.047     36.510   54.233     44.431   -51.0289   64.066   21.035  7.2165  15.166  7.0768  5.868631       10.10736 
1 1 1 -16 -20 53 o 75.504  4.1014  710.428    74.857   648.877    103.395  778.230    108.518  71.052  6.0552  78.046  5.7714  -6.994263      8.365024 
1 1 1 -16 -20 54 o 84.350  4.0282  885.024    82.444   892.951    113.427  876.146    120.041  83.594  5.6249  82.484  6.0398  1.109543       8.253404 
1 1 1 -16 -20 55 o 55.667  4.6791  392.100    62.614   403.989    82.893   376.304    95.548   55.641  6.2478  52.764  7.6891  2.877125       9.907427 
1 1 1 -16 -20 56 o 37.317  5.9428  183.072    52.005   181.333    64.768   186.230    87.247   36.306  7.5962  35.586  9.7952  0.7207947      12.39553 
1 1 1 -16 -20 57 o 48.596  4.9330  302.067    57.361   303.265    75.347   300.415    88.464   47.706  6.6934  46.538  8.1301  1.168430       10.53086 
1 1 1 -16 -20 58 o 22.708  9.0816  52.055     75.761   -29.5243   146.927  81.601     88.423   23.934  11.009  25.775  9.9588  -1.841761      14.84499 
1 1 1 -16 -20 59 o 33.370  9.8710  165.579    85.527   114.852    167.751  183.396    99.419   30.781  13.022  34.635  10.727  -3.854235      16.87135 
1 1 1 -16 -20 60 o 10.031  5.0314  -145.0496  53.113   -122.4985  127.920  -149.7472  58.384   19.550  9.3744  10.720  5.3623  8.829326       10.79974 
1 1 1 -16 -20 61 o 44.873  7.0041  271.325    73.770   352.268    163.333  250.582    82.684   45.174  13.705  42.227  8.3656  2.947079       16.05646 
1 1 1 -16 -20 62 o 43.878  11.044  298.317    117.491  243.420    339.671  305.778    125.221  37.373  17.019  43.936  11.582  -6.562935      20.58631 
1 1 1 -16 -20 63 o 48.682  11.028  368.412    127.246  -194.2618  374.546  441.829    135.293  29.897  14.710  53.778  10.744  -23.88099      18.21582 
1 1 1 -16 -20 64 o 23.500  10.073  41.835     102.677  770.251    333.066  -34.6600   107.933  52.517  19.546  20.299  9.3726  32.21740       21.67705 
1 1 1 -16 -19 1  o 50.488  3.6752  312.413    44.714   259.243    74.609   342.215    55.857   45.316  7.0118  52.743  4.4049  -7.426682      8.280612 
1 1 1 -16 -19 2  o 93.019  3.6494  1054.44    82.368   1048.15    132.457  1058.41    105.177  92.216  5.9516  92.946  4.6786  -0.7302017     7.570370 
1 1 1 -16 -19 3  o 182.861 5.3621  4092.73    237.913  3520.08    445.193  4321.65    281.477  166.893 11.056  187.634 6.1826  -20.74074      12.66758 
1 1 1 -16 -19 4  o 97.359  3.6701  1154.41    86.700   1127.61    137.033  1172.30    111.958  95.748  5.9275  97.989  4.7089  -2.240143      7.570217 
1 1 1 -16 -19 5  o 101.427 3.6910  1252.65    90.836   1248.30    142.649  1255.62    117.809  100.805 5.8573  101.420 4.7873  -0.6150589     7.564811 
1 1 1 -16 -19 6  o 36.545  5.9914  167.674    51.286   190.360    87.674   155.873    63.233   38.427  9.4652  34.920  7.6725  3.507645       12.18428 
1 1 1 -16 -19 7  o 55.720  5.2840  382.578    70.586   205.507    117.643  482.181    88.232   40.020  11.503  62.508  5.8867  -22.48827      12.92185 
1 1 1 -16 -19 8  o 12.297  5.5145  -15.7937   34.081   -30.3017   61.768   -9.4437    40.864   16.404  7.3845  14.200  6.2179  2.204540       9.653693 
1 1 1 -16 -19 9  o 82.595  3.9530  830.613    79.222   810.550    150.063  838.365    93.280   80.829  7.7463  82.793  4.6623  -1.964119      9.041160 
1 1 1 -16 -19 10 o 74.116  3.9404  670.614    70.607   749.460    134.419  640.570    82.976   77.827  7.1997  72.327  4.7546  5.500206       8.627966 
1 1 1 -16 -19 11 o 69.698  3.6034  592.588    60.731   531.141    94.920   635.173    79.021   65.636  6.0274  72.053  4.5431  -6.416931      7.547817 
1 1 1 -16 -19 12 o 175.731 4.5691  3763.35    194.822  3624.08    288.557  3880.02    264.104  171.953 6.9160  178.120 6.1108  -6.167206      9.228946 
1 1 1 -16 -19 13 o 71.648  3.8872  626.603    67.324   671.202    104.895  595.362    87.792   73.878  5.9009  69.657  5.2325  4.220398       7.886681 
1 1 1 -16 -19 14 o 142.628 8.6935  2515.94    299.420  2515.94    299.420  0.0000     0.0000   142.628 8.6935  ?       ?       0.000000       8.693454 
1 1 1 -16 -19 15 o 203.695 10.147  5141.74    501.514  5141.74    501.514  0.0000     0.0000   203.695 10.147  ?       ?       0.000000       10.14704 
1 1 1 -16 -19 16 o 62.081  4.1279  471.276    61.826   488.752    96.762   459.219    80.371   62.883  6.4323  61.093  5.4801  1.789646       8.450195 
1 1 1 -16 -19 17 o 70.456  4.0111  606.190    68.289   603.121    104.791  608.455    90.031   69.956  6.2391  70.417  5.3083  -0.4617310     8.191671 
1 1 1 -16 -19 18 o 62.570  3.7529  478.049    56.713   653.000    97.120   387.520    69.862   72.929  5.5295  56.126  5.1887  16.80373       7.582748 
1 1 1 -16 -19 19 o 58.579  3.8557  419.380    54.497   593.882    93.876   330.682    66.929   69.517  5.6133  51.775  5.4073  17.74166       7.794155 
1 1 1 -16 -19 20 o 200.301 4.8891  4891.63    237.616  5249.83    351.720  4590.88    322.286  206.967 7.0038  193.581 6.8614  13.38515       9.804683 
1 1 1 -16 -19 21 o 137.284 5.8634  2302.99    195.315  2815.99    300.673  1928.49    256.898  151.067 8.2338  124.852 8.5312  26.21517       11.85652 
1 1 1 -16 -19 22 o 71.541  5.8895  629.625    101.326  814.674    187.824  553.661    120.340  80.572  9.8098  66.740  7.5649  13.83193       12.38793 
1 1 1 -16 -19 23 o 177.627 6.4713  3862.20    278.911  4729.58    413.765  3139.85    377.592  195.858 8.7066  158.947 9.8389  36.91127       13.13811 
1 1 1 -16 -19 24 o 246.099 4.8804  7385.90    291.426  7524.50    441.013  7278.46    388.281  247.590 7.3410  243.793 6.5639  3.797302       9.847555 
1 1 1 -16 -19 25 o 66.784  3.9551  544.866    63.805   696.851    108.492  464.503    78.890   75.255  5.9911  61.454  5.3439  13.80178       8.028125 
1 1 1 -16 -19 26 o 81.137  7.0910  813.794    138.200  0.0000     0.0000   813.794    138.200  ?       ?       81.137  7.0910  0.000000       7.090981 
1 1 1 -16 -19 27 o 17.173  7.4403  -7.5334    57.209   0.0000     0.0000   -7.5334    57.209   ?       ?       17.173  7.4403  0.000000       7.440346 
1 1 1 -16 -19 28 f 59.607  5.2171  437.176    74.696   0.0000     0.0000   437.176    74.696   ?       ?       59.607  5.2171  0.000000       5.217109 
1 1 1 -16 -19 29 f 41.377  5.3077  212.560    52.060   301.469    107.570  185.367    59.491   48.506  9.4796  38.343  6.6346  10.16299       11.57071 
1 1 1 -16 -19 30 o 98.920  5.5928  1200.87    133.689  1070.15    215.876  1282.19    170.269  92.257  9.7934  101.921 6.9262  -9.663536      11.99507 
1 1 1 -16 -19 31 o 100.240 5.5180  1233.31    133.695  1425.18    216.927  1115.79    169.772  106.990 8.4243  94.875  7.4343  12.11513       11.23551 
1 1 1 -16 -19 32 o 187.202 6.8040  4312.36    309.060  4406.74    468.295  4239.53    411.370  187.262 10.347  184.549 9.1866  2.712769       13.83636 
1 1 1 -16 -19 33 o 82.289  3.5755  825.063    71.390   886.526    101.914  765.846    100.035  84.990  4.9636  78.916  5.2542  6.073586       7.228033 
1 1 1 -16 -19 34 o 52.751  3.8292  341.176    48.679   354.810    68.226   327.037    69.475   53.545  5.3217  51.315  5.6748  2.230530       7.779764 
1 1 1 -16 -19 35 o 105.960 3.6628  1369.51    94.171   1244.56    134.741  1488.84    131.667  100.514 5.5462  110.241 4.9223  -9.726791      7.415484 
1 1 1 -16 -19 36 o 101.899 3.6578  1267.20    90.438   1242.98    129.441  1290.31    126.409  100.451 5.3298  102.542 5.0806  -2.090843      7.363352 
1 1 1 -16 -19 37 o 126.800 3.9133  1965.22    120.399  1945.21    172.603  1984.19    168.029  125.643 5.6617  126.966 5.4542  -1.323418      7.861512 
1 1 1 -16 -19 38 o 46.882  3.9737  270.789    44.777   269.428    62.883   272.190    63.775   46.391  5.7068  46.618  5.7606  -0.2273903     8.108806 
1 1 1 -16 -19 39 o 36.571  4.4293  166.446    38.502   164.302    53.686   168.716    55.249   35.866  6.4040  36.329  6.5067  -0.4632263     9.129484 
1 1 1 -16 -19 40 o 38.202  4.2939  181.330    39.112   188.380    54.557   173.876    56.102   38.526  6.0342  36.853  6.5121  1.673088       8.878018 
1 1 1 -16 -19 41 o 65.668  3.6661  529.689    58.182   516.301    83.282   542.453    81.317   64.376  5.3811  66.079  5.1114  -1.703491      7.421768 
1 1 1 -16 -19 42 o 14.027  5.7768  8.3002     31.719   13.656     37.169   -6.0512    60.844   15.571  6.3137  17.562  7.6409  -1.990850      9.911938 
1 1 1 -16 -19 43 o 12.228  5.4223  -10.0423   32.000   -3.4152    37.880   -26.5581   59.799   13.995  6.0590  16.059  7.2441  -2.063753      9.443925 
1 1 1 -16 -19 44 o 102.779 5.0172  1309.09    125.121  1386.73    163.203  1198.39    194.875  104.894 6.4435  96.211  8.4328  8.683624       10.61276 
1 1 1 -16 -19 45 o 75.434  3.5975  698.316    65.846   663.948    93.583   732.012    92.664   72.880  5.3290  76.671  5.0085  -3.790916      7.313239 
1 1 1 -16 -19 46 o 43.794  4.5463  239.508    47.606   214.135    65.233   268.417    69.632   40.654  6.8571  45.772  6.4484  -5.118286      9.412807 
1 1 1 -16 -19 47 o 72.432  3.9534  647.819    69.219   679.672    94.423   610.816    101.770  73.685  5.3170  69.495  6.0969  4.189247       8.089651 
1 1 1 -16 -19 48 f 85.319  3.9132  896.641    81.010   861.458    111.593  935.840    117.790  82.814  5.5862  86.292  5.6569  -3.478424      7.950257 
1 1 1 -16 -19 49 o 33.221  9.5110  151.047    80.568   355.823    134.426  36.251     100.648  50.084  11.327  24.539  10.214  25.54507       15.25214 
1 1 1 -16 -19 50 o 82.555  6.8202  875.068    135.393  633.302    224.061  1014.12    169.926  63.985  14.736  87.985  8.0486  -24.00050      16.79085 
1 1 1 -16 -19 51 o 87.849  4.0080  954.580    85.434   929.698    118.251  981.749    123.567  85.683  5.7207  87.993  5.8203  -2.310814      8.161070 
1 1 1 -16 -19 52 o 45.194  4.7163  257.540    50.956   308.137    64.949   176.538    82.178   49.140  5.5442  35.487  9.3958  13.65263       10.90960 
1 1 1 -16 -19 53 o 13.169  5.8428  -9.8121    37.209   -29.3607   45.346   30.479     65.101   13.282  6.1118  20.437  8.3298  -7.154939      10.33150 
1 1 1 -16 -19 54 o 42.543  5.0758  231.021    51.362   230.242    64.225   232.403    85.548   41.815  6.5447  40.749  8.9014  1.066498       11.04849 
1 1 1 -16 -19 55 o 48.700  5.1046  302.819    59.422   261.254    78.299   359.272    91.250   43.895  7.6284  51.708  7.4912  -7.813118      10.69161 
1 1 1 -16 -19 56 o 18.442  6.9301  36.388     42.065   29.937     51.763   48.931     72.182   18.775  7.5075  22.325  8.8854  -3.549364      11.63243 
1 1 1 -16 -19 57 o 18.568  7.0082  36.859     43.120   12.096     52.057   90.989     76.965   17.191  7.2625  26.191  9.4537  -9.000689      11.92128 
1 1 1 -16 -19 58 o 39.736  6.4348  210.219    59.920   221.147    68.966   176.565    121.027  40.274  7.3273  33.771  11.891  6.503555       13.96735 
1 1 1 -16 -19 59 o 44.520  5.9626  259.875    62.792   225.474    73.983   348.496    118.744  40.366  7.8361  48.336  10.431  -7.969856      13.04614 
1 1 1 -16 -19 60 o 26.283  6.8279  94.233     43.937   98.564     53.836   85.595     76.030   26.658  7.8163  25.645  9.3746  1.012657       12.20569 
1 1 1 -16 -19 61 f 35.320  5.9161  164.598    48.908   165.899    62.887   162.606    77.803   34.579  7.6937  33.426  9.2693  1.152897       12.04629 
1 1 1 -16 -19 62 o 26.856  10.647  87.684     103.256  189.715    323.361  76.099     108.961  36.118  16.509  26.365  10.765  9.753077       19.70832 
1 1 1 -16 -19 63 o 45.750  10.900  324.410    119.277  346.742    369.964  321.820    126.006  39.199  17.816  44.960  11.503  -5.760509      21.20742 
1 1 1 -16 -18 1  o 71.481  3.9888  624.904    68.906   445.579    144.075  678.087    78.462   58.800  10.483  74.413  4.3646  -15.61285      11.35497 
1 1 1 -16 -18 2  o 120.339 3.9409  1764.78    115.071  1506.79    179.430  1945.01    149.973  110.529 6.7224  126.181 4.8984  -15.65183      8.317723 
1 1 1 -16 -18 3  f 62.972  3.5976  484.320    54.742   419.047    88.606   524.614    69.617   58.115  6.3892  65.442  4.4100  -7.327087      7.763337 
1 1 1 -16 -18 4  o 171.133 4.5410  3571.61    188.559  3313.74    283.424  3776.39    252.563  164.220 7.1129  175.650 5.9259  -11.42963      9.257968 
1 1 1 -16 -18 5  o 207.194 5.0470  5240.16    253.734  5011.87    375.233  5432.48    344.413  201.829 7.6622  210.459 6.7445  -8.629166      10.20769 
1 1 1 -16 -18 6  o 163.227 6.2600  3261.59    247.933  3143.33    375.664  3352.85    330.014  158.935 9.7889  164.953 8.2453  -6.017883      12.79873 
1 1 1 -16 -18 7  o 143.512 7.7976  2539.64    270.507  0.0000     0.0000   2539.64    270.507  ?       ?       143.512 7.7976  0.000000       7.797594 
1 1 1 -16 -18 8  o 89.960  5.2016  990.800    113.055  897.168    179.966  1051.84    145.306  84.837  8.8739  92.465  6.5182  -7.628235      11.01060 
1 1 1 -16 -18 9  o 146.618 4.1550  2617.52    147.818  2374.26    221.656  2812.35    198.369  139.263 6.5596  151.790 5.3860  -12.52704      8.487522 
1 1 1 -16 -18 10 o 109.198 3.7260  1450.79    98.724   1413.26    150.327  1479.26    130.912  107.406 5.7897  110.149 4.8982  -2.743095      7.583696 
1 1 1 -16 -18 11 o 290.070 6.3879  10292.74   449.596  9697.87    649.835  10838.93   622.682  280.137 9.5602  296.651 8.6508  -16.51343      12.89320 
1 1 1 -16 -18 12 o 94.891  3.6362  1095.31    83.722   997.590    128.094  1168.18    110.620  90.178  5.8864  97.914  4.6561  -7.735840      7.505301 
1 1 1 -16 -18 13 o 131.208 6.0371  2103.75    192.199  2103.75    192.199  0.0000     0.0000   131.208 6.0371  ?       ?       0.000000       6.037065 
1 1 1 -16 -18 14 o 90.636  5.8836  1007.57    128.692  1007.57    128.692  0.0000     0.0000   90.636  5.8836  ?       ?       0.000000       5.883583 
1 1 1 -16 -18 15 o 165.404 6.5952  3347.48    264.691  3347.48    264.691  0.0000     0.0000   165.404 6.5952  ?       ?       0.000000       6.595236 
1 1 1 -16 -18 16 o 56.746  4.2039  394.145    57.471   366.533    88.997   413.897    75.271   54.287  6.9132  57.995  5.4115  -3.707981      8.779356 
1 1 1 -16 -18 17 o 20.714  6.1221  53.196     32.911   94.436     67.284   40.226     37.733   27.906  8.8515  19.142  6.6456  8.763874       11.06853 
1 1 1 -16 -18 18 o 55.461  4.1031  376.436    54.824   466.374    100.989  338.855    65.281   61.339  6.9055  52.458  5.1972  8.881351       8.642683 
1 1 1 -16 -18 19 o 157.542 4.3153  3022.11    164.957  3341.88    249.257  2772.92    220.034  165.345 6.2129  150.648 6.0195  14.69662       8.650697 
1 1 1 -16 -18 20 o 81.391  3.8628  806.046    76.286   954.643    129.526  727.127    94.394   88.179  6.0912  77.057  5.0770  11.12166       7.929597 
1 1 1 -16 -18 21 o 137.828 5.8773  2320.46    196.552  2688.60    301.808  2049.33    259.008  147.588 8.4632  128.827 8.3306  18.76146       11.87536 
1 1 1 -16 -18 22 f 95.472  5.4379  1115.93    125.451  1213.09    196.520  1049.11    162.979  98.991  8.2571  92.211  7.3451  6.780067       11.05127 
1 1 1 -16 -18 23 o 302.812 9.2166  11316.30   677.186  12393.21   968.284  10285.28   947.429  314.515 12.688  285.802 13.662  28.71332       18.64513 
1 1 1 -16 -18 24 o 106.218 3.8875  1373.04    100.193  1550.45    157.065  1251.32    130.103  112.517 5.7725  101.126 5.3210  11.39057       7.850742 
1 1 1 -16 -18 25 o 143.370 5.5578  2509.95    193.343  0.0000     0.0000   2509.95    193.343  ?       ?       143.370 5.5578  0.000000       5.557829 
1 1 1 -16 -18 26 o 107.854 5.0434  1419.01    131.986  0.0000     0.0000   1419.01    131.986  ?       ?       107.854 5.0434  0.000000       5.043431 
1 1 1 -16 -18 27 o 137.130 5.5196  2296.82    183.655  0.0000     0.0000   2296.82    183.655  ?       ?       137.130 5.5196  0.000000       5.519590 
1 1 1 -16 -18 28 o 171.348 4.4463  3578.20    184.860  3759.35    267.802  3413.31    255.494  175.233 6.2985  166.971 6.3063  8.261642       8.912909 
1 1 1 -16 -18 29 o 196.035 4.7088  4687.16    223.978  4554.38    320.347  4814.14    313.276  192.668 6.8524  198.193 6.5144  -5.524658      9.454817 
1 1 1 -16 -18 30 o 159.628 6.2845  3122.26    243.414  3064.10    371.910  3165.84    321.949  156.733 9.8292  159.938 8.3248  -3.204941      12.88085 
1 1 1 -16 -18 31 o 58.414  6.0093  422.264    83.959   394.556    140.195  437.758    104.838  55.279  10.840  59.181  7.4670  -3.902187      13.16266 
1 1 1 -16 -18 32 o 117.495 5.7047  1690.58    162.636  1558.00    258.010  1777.99    209.498  111.457 9.6351  119.949 7.2319  -8.491516      12.04723 
1 1 1 -16 -18 33 o 60.420  3.6873  446.420    53.799   562.745    76.982   335.373    75.215   67.709  4.7151  51.934  6.0842  15.77573       7.697358 
1 1 1 -16 -18 34 o 89.932  3.5897  985.589    78.331   949.108    111.485  1021.16    110.083  87.878  5.2525  91.219  4.9925  -3.341354      7.246655 
1 1 1 -16 -18 35 f 90.997  3.5981  1009.54    79.444   1020.51    113.644  999.063    111.101  91.113  5.1617  90.162  5.0994  0.9511337      7.255785 
1 1 1 -16 -18 36 o 119.412 3.8285  1740.58    110.927  1792.92    159.026  1690.97    154.809  120.822 5.4245  117.334 5.4376  3.488792       7.680673 
1 1 1 -16 -18 37 o 35.283  4.5523  154.935    38.064   153.740    52.907   156.216    54.803   34.720  6.5195  34.965  6.7035  -0.2450676     9.350968 
1 1 1 -16 -18 38 o 13.383  5.4722  8.0937     28.210   -33.9211   35.414   81.042     46.663   11.227  5.2463  25.204  7.2447  -13.97763      8.944803 
1 1 1 -16 -18 39 o 14.162  5.6035  13.819     28.550   -1.3167    37.493   34.708     44.047   14.177  6.0818  18.990  7.1001  -4.813353      9.348800 
1 1 1 -16 -18 40 o 61.545  3.7074  465.092    55.106   520.377    78.651   411.785    77.232   64.797  5.0422  57.444  5.6128  7.353264       7.544987 
1 1 1 -16 -18 41 o 40.029  4.2912  198.970    41.029   175.118    56.382   225.817    59.816   36.962  6.5252  42.242  6.0050  -5.279724      8.867806 
1 1 1 -16 -18 42 o 24.956  6.4444  80.731     39.294   78.147     46.441   87.240     73.723   24.668  7.2673  26.913  9.2922  -2.245018      11.79650 
1 1 1 -16 -18 43 o 34.795  5.8665  154.623    47.768   157.493    58.603   148.940    82.455   34.749  7.1877  33.383  9.6405  1.365635       12.02506 
1 1 1 -16 -18 44 o 37.346  5.6846  177.346    49.886   249.979    61.383   36.058     85.612   44.421  5.8363  23.419  9.5495  21.00259       11.19176 
1 1 1 -16 -18 45 o 52.438  4.0955  340.435    51.696   347.393    68.450   331.198    78.872   52.578  5.4443  50.944  6.5311  1.634151       8.502707 
1 1 1 -16 -18 46 o 10.431  4.9441  -39.1445   33.515   -10.4414   40.283   -103.7028  60.413   13.826  6.1094  12.588  6.1325  1.237632       8.656322 
1 1 1 -16 -18 47 o 53.151  4.3484  350.967    55.588   301.812    72.689   420.204    86.270   48.623  6.3100  57.498  6.2860  -8.875595      8.906711 
1 1 1 -16 -18 48 o 69.681  4.0561  600.449    68.282   655.093    93.116   536.889    100.427  72.299  5.3459  64.932  6.4600  7.366837       8.385111 
1 1 1 -16 -18 49 o 56.195  7.8700  413.809    104.366  192.204    181.692  522.934    127.499  37.891  14.365  62.861  8.5835  -24.97010      16.73437 
1 1 1 -16 -18 50 o 30.995  9.8622  129.862    83.478   287.956    148.320  56.564     100.992  43.982  12.996  25.806  10.427  18.17632       16.66181 
1 1 1 -16 -18 51 o 30.580  6.3044  122.688    45.224   95.691     57.342   167.111    73.556   26.812  8.1173  34.922  8.7100  -8.110115      11.90602 
1 1 1 -16 -18 52 o 40.912  5.1321  212.880    49.825   250.991    64.325   155.719    78.778   44.042  6.1902  33.412  9.3492  10.62989       11.21276 
1 1 1 -16 -18 53 o 19.162  7.0007  40.804     42.391   17.865     51.962   86.449     73.298   17.870  7.3803  26.088  9.2466  -8.218054      11.83078 
1 1 1 -16 -18 54 o 25.903  6.7199  90.068     42.597   61.127     54.272   136.499    68.742   22.386  7.9541  31.258  8.7288  -8.872129      11.80935 
1 1 1 -16 -18 55 o 33.408  6.2471  147.740    48.778   136.121    62.679   165.582    77.675   31.278  8.1696  34.068  9.1866  -2.789928      12.29369 
1 1 1 -16 -18 56 o 27.151  6.9433  100.331    45.923   77.578     58.049   138.388    75.076   24.264  8.2493  31.079  9.2610  -6.815201      12.40227 
1 1 1 -16 -18 57 o 17.375  6.6429  30.225     39.059   40.571     45.903   3.0785     74.353   19.270  7.2397  19.237  8.4065  0.3320694E-01  11.09422 
1 1 1 -16 -18 58 o 28.735  7.1626  113.427    49.764   96.914     56.409   171.384    105.679  26.444  8.0611  33.584  11.128  -7.139839      13.74082 
1 1 1 -16 -18 59 o 20.792  7.2747  53.865     45.258   94.639     49.964   -132.5062  106.820  26.210  7.4851  17.281  8.3558  8.929003       11.21811 
1 1 1 -16 -18 60 o 32.826  6.4892  144.545    49.855   139.064    63.732   153.187    80.029   31.409  8.2545  32.425  9.5364  -1.015591      12.61262 
1 1 1 -16 -18 61 o 17.002  6.6161  26.965     39.242   47.591     47.316   -18.4841   70.236   20.177  7.3925  17.470  7.8684  2.707739       10.79628 
1 1 1 -16 -18 62 o 16.005  7.7385  -117.4184  91.603   174.281    338.221  -140.5091  95.159   36.063  16.630  15.746  7.6768  20.31639       18.31637 
1 1 1 -16 -18 63 o 44.872  11.233  316.369    122.016  789.388    342.629  247.668    130.576  54.858  19.924  38.591  12.340  16.26676       23.43620 
1 1 1 -16 -17 1  o 128.947 5.7076  2035.14    178.579  1788.76    275.843  2212.91    234.308  119.583 9.5873  133.917 7.2377  -14.33466      12.01256 
1 1 1 -16 -17 2  o 76.940  3.5508  720.491    66.289   631.849    107.038  775.641    84.429   71.552  6.2273  79.645  4.3858  -8.092102      7.616752 
1 1 1 -16 -17 3  o 113.358 3.8177  1564.42    105.007  1439.20    163.198  1652.89    137.174  108.237 6.2405  116.394 4.8571  -8.156868      7.907939 
1 1 1 -16 -17 4  o 67.621  3.6086  557.976    58.995   525.565    94.512   578.665    75.512   65.276  6.0355  68.752  4.5523  -3.476082      7.559775 
1 1 1 -16 -17 5  o 97.684  4.0998  1161.93    97.175   1020.00    185.658  1215.48    114.044  90.588  8.5476  99.852  4.7071  -9.264000      9.757997 
1 1 1 -16 -17 6  o 142.656 4.1617  2478.00    144.055  2089.31    216.267  2788.00    193.137  130.408 6.8589  151.150 5.2661  -20.74251      8.647317 
1 1 1 -16 -17 7  o 87.454  5.2632  936.490    111.164  868.727    174.322  982.932    144.315  83.536  8.7293  89.354  6.7052  -5.818291      11.00726 
1 1 1 -16 -17 8  o 179.018 6.6046  3922.05    286.882  3676.57    430.126  4118.75    385.034  171.948 10.358  182.876 8.6772  -10.92848      13.51211 
1 1 1 -16 -17 9  o 115.319 5.5765  1623.26    156.037  1336.01    240.321  1832.61    205.165  103.562 9.6758  122.132 6.9520  -18.56983      11.91435 
1 1 1 -16 -17 10 o 130.977 3.9638  2087.61    125.971  1897.52    188.910  2239.82    169.041  124.432 6.2771  135.528 5.1404  -11.09567      8.113325 
1 1 1 -16 -17 11 o 124.770 4.4695  1895.88    135.310  1712.32    261.210  1963.20    158.188  117.500 9.2364  126.888 5.1379  -9.387299      10.56924 
1 1 1 -16 -17 12 o 236.661 7.9263  6876.02    455.154  6876.02    455.154  0.0000     0.0000   236.661 7.9263  ?       ?       0.000000       7.926258 
1 1 1 -16 -17 13 o 62.018  6.2015  474.590    92.070   474.590    92.070   0.0000     0.0000   62.018  6.2015  ?       ?       0.000000       6.201546 
1 1 1 -16 -17 14 o 89.762  5.8575  987.903    126.877  987.903    126.877  0.0000     0.0000   89.762  5.8575  ?       ?       0.000000       5.857495 
1 1 1 -16 -17 15 o 205.301 4.9605  5137.04    247.106  5283.59    360.931  5007.73    339.019  207.694 7.1620  202.267 6.9077  5.427597       9.950439 
1 1 1 -16 -17 16 o 169.072 4.4028  3480.53    180.619  4276.05    271.000  2844.72    242.274  187.118 5.9689  152.518 6.5467  34.59935       8.859248 
1 1 1 -16 -17 17 o 166.766 4.3904  3386.17    177.654  4214.15    266.932  2727.80    238.027  185.768 5.9220  149.347 6.5685  36.42085       8.843893 
1 1 1 -16 -17 18 o 188.501 4.6822  4328.50    214.156  5157.46    318.137  3641.60    289.595  205.401 6.3833  172.482 6.9196  32.91914       9.414252 
1 1 1 -16 -17 19 o 74.818  3.8410  682.780    69.495   744.885    117.440  649.315    86.208   77.824  6.2726  72.831  4.9069  4.992897       7.963835 
1 1 1 -16 -17 20 o 53.020  4.0587  344.095    51.818   407.853    91.150   313.650    62.986   57.364  6.6734  50.451  5.2209  6.912842       8.473030 
1 1 1 -16 -17 21 o 266.746 8.3436  8746.31    540.027  9513.17    774.281  8019.92    753.569  276.555 11.539  253.528 12.250  23.02736       16.82852 
1 1 1 -16 -17 22 o 129.081 5.6984  2033.98    178.474  2299.86    268.758  1824.23    238.707  136.586 8.1465  121.593 8.1378  14.99235       11.51474 
1 1 1 -16 -17 23 o 143.389 5.9295  2511.37    206.301  2737.31    306.960  2325.25    278.603  148.929 8.5300  137.259 8.4058  11.67036       11.97572 
1 1 1 -16 -17 24 o 104.943 4.9806  1342.61    126.823  0.0000     0.0000   1342.61    126.823  ?       ?       104.943 4.9806  0.000000       4.980605 
1 1 1 -16 -17 25 o 166.856 5.9919  3401.97    242.589  0.0000     0.0000   3401.97    242.589  ?       ?       166.856 5.9919  0.000000       5.991905 
1 1 1 -16 -17 26 o 81.707  4.8836  816.759    96.376   0.0000     0.0000   816.759    96.376   ?       ?       81.707  4.8836  0.000000       4.883580 
1 1 1 -16 -17 27 o 152.288 4.2337  2824.24    156.442  2764.09    224.796  2880.74    217.852  150.340 6.1624  153.541 5.8475  -3.200470      8.495208 
1 1 1 -16 -17 28 o 92.141  3.5852  1032.89    80.154   1008.97    113.665  1056.55    113.048  90.784  5.1815  92.930  5.0323  -2.145950      7.223016 
1 1 1 -16 -17 29 o 65.295  3.6597  520.442    57.748   402.928    81.217   640.604    82.127   57.098  5.9496  72.333  4.7050  -15.23416      7.585135 
1 1 1 -16 -17 30 o 119.002 5.6603  1731.26    163.439  1751.93    256.696  1717.16    211.952  118.709 8.9783  117.965 7.4431  0.7440033      11.66229 
1 1 1 -16 -17 31 o 77.850  5.6268  744.942    105.572  818.081    176.220  703.996    131.852  80.779  9.1521  75.328  7.3057  5.450981       11.71045 
1 1 1 -16 -17 32 o 128.624 5.8735  2025.99    183.308  1917.71    288.882  2098.98    237.172  123.802 9.6942  130.323 7.5324  -6.521492      12.27662 
1 1 1 -16 -17 33 o 54.802  3.8668  367.770    51.088   347.757    72.461   387.551    72.040   52.983  5.7276  56.031  5.3644  -3.048775      7.847407 
1 1 1 -16 -17 34 o 88.248  3.5989  948.796    77.062   934.600    109.424  962.765    108.545  87.236  5.1930  88.570  5.0719  -1.333961      7.258907 
1 1 1 -16 -17 35 o 48.680  3.8919  290.884    45.586   290.636    64.111   291.137    64.830   48.368  5.5642  48.397  5.6257  -0.2933502E-01 7.912550 
1 1 1 -16 -17 36 o 67.211  3.6712  552.608    59.643   573.839    84.592   531.619    84.106   68.226  5.1478  65.616  5.3288  2.610527       7.409147 
1 1 1 -16 -17 37 o 147.197 4.1570  2648.80    148.469  2694.34    212.933  2605.72    207.123  147.873 5.9346  145.445 5.8690  2.427521       8.346516 
1 1 1 -16 -17 38 o 78.223  3.5539  746.951    67.454   737.458    96.105   756.167    94.698   77.296  5.1537  78.312  5.0099  -1.015182      7.187528 
1 1 1 -16 -17 39 o 12.404  5.2858  0.1111     27.984   57.430     36.618   -80.3637   43.388   21.423  6.4868  10.541  5.1489  10.88190       8.281946 
1 1 1 -16 -17 40 o 43.281  4.1205  231.587    42.750   288.723    60.075   172.974    60.847   48.121  5.2292  36.632  7.1021  11.48966       8.819533 
1 1 1 -16 -17 41 o 44.657  4.1290  246.652    44.234   263.861    60.861   227.383    64.401   45.852  5.5858  42.266  6.4868  3.585739       8.560363 
1 1 1 -16 -17 42 o 28.514  6.4825  105.420    43.836   136.964    53.280   39.333     77.120   32.464  6.9720  22.946  9.1678  9.517979       11.51768 
1 1 1 -16 -17 43 o 20.359  6.7573  49.891     38.963   39.343     46.664   74.174     70.802   19.721  7.3209  25.416  9.0793  -5.694559      11.66314 
1 1 1 -16 -17 44 o 54.765  4.9563  373.950    65.146   390.840    81.576   344.215    108.239  55.604  6.1492  50.961  9.0868  4.643372       10.97188 
1 1 1 -16 -17 45 o 38.093  4.8492  182.270    43.805   188.268    57.179   173.746    68.157   38.274  6.3817  36.237  7.9685  2.036877       10.20899 
1 1 1 -16 -17 46 f 20.363  6.8611  49.676     40.153   38.701     47.714   76.308     74.327   19.699  7.3849  25.725  9.2895  -6.026213      11.86728 
1 1 1 -16 -17 47 o 43.103  4.9484  233.236    50.814   221.971    65.300   250.529    80.908   41.462  6.7209  43.631  7.9346  -2.169170      10.39847 
1 1 1 -16 -17 48 o 43.321  5.1148  236.358    52.728   225.331    67.708   253.349    84.050   41.663  6.9420  43.706  8.2275  -2.042755      10.76490 
1 1 1 -16 -17 49 o 97.416  6.7084  1208.74    157.601  857.904    263.492  1404.16    196.656  75.322  14.945  104.143 7.8399  -28.82037      16.87627 
1 1 1 -16 -17 50 o 70.426  7.5744  645.042    127.398  143.587    215.601  914.061    157.916  36.300  15.016  83.738  7.8642  -47.43803      16.95073 
1 1 1 -16 -17 51 o 14.750  6.2644  3.6736     39.059   -2.5546    47.267   17.084     69.358   15.575  6.7556  20.048  8.4216  -4.473225      10.79632 
1 1 1 -16 -17 52 o 82.604  3.9951  844.678    80.074   758.236    112.267  934.188    114.243  77.072  6.0520  85.948  5.5070  -8.875984      8.182541 
1 1 1 -16 -17 53 o 51.807  4.4078  336.543    54.882   296.424    74.908   383.033    80.638   47.619  6.6658  54.464  6.2132  -6.844189      9.112414 
1 1 1 -16 -17 54 o 47.032  4.5736  279.035    51.534   292.303    70.900   264.174    75.035   47.356  6.3287  44.552  7.1856  2.803677       9.575243 
1 1 1 -16 -17 55 o 20.416  7.0066  51.673     41.885   93.613     51.155   -33.6417   72.959   26.220  7.5996  17.135  7.8358  9.084467       10.91577 
1 1 1 -16 -17 56 o 28.552  6.7046  110.187    45.656   98.865     57.402   129.684    75.324   26.784  8.1243  30.177  9.3354  -3.392551      12.37553 
1 1 1 -16 -17 57 o 22.934  6.9798  70.456     42.316   75.363     51.383   60.112     74.600   23.767  7.7538  23.411  9.1189  0.3562603      11.96977 
1 1 1 -16 -17 58 o 15.382  6.5848  4.3241     43.784   -7.0335    48.163   58.411     105.102  15.155  6.6893  25.251  10.468  -10.09677      12.42277 
1 1 1 -16 -17 59 o 44.800  5.1884  258.018    55.356   228.035    71.965   301.466    86.631   40.861  7.5362  46.875  7.8975  -6.014069      10.91625 
1 1 1 -16 -17 60 o 43.039  5.6108  240.419    57.200   219.443    74.013   271.529    90.135   39.855  7.9325  43.888  8.7709  -4.032997      11.82594 
1 1 1 -16 -17 61 o 25.182  9.1709  81.589     72.663   -130.1874  312.487  93.694     74.711   29.918  14.423  26.407  9.3379  3.511080       17.18159 
1 1 1 -16 -17 62 o 26.469  10.681  79.154     105.815  156.637    244.758  61.343     117.349  34.281  15.108  26.011  10.942  8.269978       18.65441 
1 1 1 -16 -17 63 o 21.241  9.5333  -6.3369    102.076  190.999    260.355  -42.1800   110.960  34.989  15.493  20.503  9.4795  14.48611       18.16302 
1 1 1 -16 -16 1  o 124.821 5.5949  1904.53    169.450  1668.11    261.596  2075.43    222.419  115.670 9.4020  129.820 7.0878  -14.14980      11.77430 
1 1 1 -16 -16 2  o 50.088  4.1259  307.603    49.697   298.518    99.900   310.591    57.289   48.459  8.8213  50.247  4.7556  -1.787926      10.02153 
1 1 1 -16 -16 3  o 12.060  5.0723  2.0255     25.212   20.908     42.113   -8.5236    31.477   17.322  6.8208  12.362  5.4341  4.960166       8.720821 
1 1 1 -16 -16 4  o 133.918 4.0028  2183.05    130.068  2082.12    198.245  2259.33    172.349  130.471 6.2622  136.078 5.2198  -5.607697      8.152389 
1 1 1 -16 -16 5  o 86.393  3.5920  907.875    75.298   811.123    116.353  977.594    98.770   81.264  5.9420  89.462  4.5653  -8.198036      7.493284 
1 1 1 -16 -16 6  o 159.991 4.3440  3116.99    168.635  2801.49    251.562  3374.47    227.257  151.262 6.8541  166.258 5.6334  -14.99666      8.872092 
1 1 1 -16 -16 7  f 89.814  5.3247  987.376    115.520  788.309    181.222  1123.63    149.931  79.360  9.6069  95.634  6.4998  -16.27399      11.59912 
1 1 1 -16 -16 8  o 104.011 7.0227  1330.57    176.196  0.0000     0.0000   1330.57    176.196  ?       ?       104.011 7.0227  0.000000       7.022696 
1 1 1 -16 -16 9  o 45.651  6.1256  259.052    66.140   276.491    104.646  247.452    85.348   46.520  9.5896  44.191  8.2636  2.329155       12.65886 
1 1 1 -16 -16 10 o 124.883 3.9007  1897.39    118.198  1639.92    176.915  2104.97    158.855  115.669 6.3275  131.421 4.9816  -15.75242      8.053225 
1 1 1 -16 -16 11 o 121.121 5.7447  1790.55    168.831  1790.55    168.831  0.0000     0.0000   121.121 5.7447  ?       ?       0.000000       5.744693 
1 1 1 -16 -16 12 o 38.381  6.9227  185.675    62.098   185.675    62.098   0.0000     0.0000   38.381  6.9227  ?       ?       0.000000       6.922727 
1 1 1 -16 -16 13 o 25.692  8.7373  75.151     65.121   75.151     65.121   0.0000     0.0000   25.692  8.7373  ?       ?       0.000000       8.737346 
1 1 1 -16 -16 14 o 122.709 4.0502  1832.16    120.590  1810.02    182.450  1849.34    160.695  121.569 6.2059  123.145 5.3780  -1.575630      8.211950 
1 1 1 -16 -16 15 o 214.732 5.0696  5619.87    264.140  6142.04    387.687  5167.48    360.856  223.984 7.1335  205.419 7.2398  18.56462       10.16374 
1 1 1 -16 -16 16 f 397.164 8.0931  19361.62   779.922  22134.88   1116.20  16716.03   1090.21  422.679 10.884  366.288 12.267  56.39151       16.39877 
1 1 1 -16 -16 17 o 205.576 4.9636  5149.85    247.591  5480.27    363.497  4863.87    338.166  211.588 7.0802  199.356 6.9910  12.23196       9.950014 
1 1 1 -16 -16 18 o 114.913 3.8610  1606.33    107.656  1760.36    166.049  1494.63    141.400  120.108 5.6977  110.719 5.2634  9.388809       7.756747 
1 1 1 -16 -16 19 o 33.884  5.0721  142.994    40.419   79.876     78.186   166.014    47.218   27.120  9.5566  36.491  5.5039  -9.371313      11.02818 
1 1 1 -16 -16 20 o 47.540  4.3249  277.371    49.343   270.473    86.765   280.669    59.989   46.308  8.0119  47.692  5.2721  -1.383747      9.590919 
1 1 1 -16 -16 21 o 133.293 5.7167  2168.34    184.891  2341.75    273.679  2022.74    250.770  137.849 8.2196  128.110 8.1092  9.739746       11.54646 
1 1 1 -16 -16 22 o 130.757 5.3499  2085.18    169.738  2414.75    232.309  1707.74    248.610  140.482 6.8152  117.498 8.7836  22.98370       11.11754 
1 1 1 -16 -16 23 o 51.875  8.0321  337.862    97.832   0.0000     0.0000   337.862    97.832   ?       ?       51.875  8.0321  0.000000       8.032084 
1 1 1 -16 -16 24 o 105.492 7.4326  1370.71    189.033  0.0000     0.0000   1370.71    189.033  ?       ?       105.492 7.4326  0.000000       7.432619 
1 1 1 -16 -16 25 o 88.781  4.9770  963.773    106.781  0.0000     0.0000   963.773    106.781  ?       ?       88.781  4.9770  0.000000       4.976988 
1 1 1 -16 -16 26 o 156.087 4.2523  2966.24    161.047  3120.14    231.031  2820.76    224.615  159.813 5.9579  151.928 6.0931  7.884506       8.521870 
1 1 1 -16 -16 27 o 88.047  3.6799  943.077    78.618   990.815    114.526  900.535    108.115  89.968  5.2693  85.764  5.2202  4.203812       7.417298 
1 1 1 -16 -16 28 o 166.845 5.2409  3396.57    212.168  2526.70    353.838  3884.91    265.116  142.396 10.311  178.249 6.1298  -35.85355      11.99530 
1 1 1 -16 -16 29 o 6.6340  3.3524  -88.9875   26.148   -135.7975  35.167   -31.1136   39.103   ?       ?       12.248  5.6504  0.000000       5.650407 
1 1 1 -16 -16 30 o 47.904  6.4592  285.977    73.164   136.405    126.353  361.425    89.739   34.737  12.155  53.837  7.0382  -19.09993      14.04578 
1 1 1 -16 -16 31 o 136.714 5.9401  2286.94    197.047  2267.64    308.064  2300.29    256.343  134.951 9.4680  136.491 7.7724  -1.540619      12.24964 
1 1 1 -16 -16 32 o 21.084  7.8886  41.469     54.391   -76.0377   101.102  89.331     64.525   19.724  9.0943  27.136  8.6745  -7.412786      12.56793 
1 1 1 -16 -16 33 o 71.631  3.6711  626.480    63.592   693.613    90.048   559.692    89.816   75.191  4.9636  67.409  5.5403  7.781960       7.438539 
1 1 1 -16 -16 34 o 124.308 3.8522  1883.35    116.191  1880.18    166.028  1886.39    162.663  123.903 5.5225  124.133 5.4005  -0.2297363     7.724238 
1 1 1 -16 -16 35 o 82.234  3.5752  824.028    71.337   769.451    102.055  876.174    99.756   79.074  5.3506  84.497  4.8864  -5.423759      7.246059 
1 1 1 -16 -16 36 o 157.947 4.3231  3048.30    165.678  3094.23    237.340  3004.64    231.382  158.548 6.1694  156.260 6.1026  2.287918       8.677775 
1 1 1 -16 -16 37 o 110.744 3.7328  1496.77    100.305  1425.48    143.247  1565.34    140.498  107.565 5.5069  112.956 5.1262  -5.391190      7.523547 
1 1 1 -16 -16 38 o 16.140  6.3184  19.571     35.954   -8.9865    42.877   87.219     65.991   14.543  6.3687  26.768  8.7898  -12.22460      10.85458 
1 1 1 -16 -16 39 o 34.024  5.0750  145.339    40.616   164.025    52.016   116.148    65.014   35.928  6.1902  29.966  8.5316  5.962160       10.54068 
1 1 1 -16 -16 40 o 13.903  5.8216  4.6463     32.975   -2.8892    41.359   17.794     54.630   14.742  6.3568  18.637  7.6173  -3.895013      9.921299 
1 1 1 -16 -16 41 o 49.295  4.2138  300.252    49.917   270.760    66.366   338.672    75.748   46.340  6.0464  51.880  6.1362  -5.539665      8.614620 
1 1 1 -16 -16 42 o 12.159  5.4676  -15.5353   33.755   -13.5655   38.694   -21.8078   69.049   13.325  5.9327  17.766  7.9163  -4.440342      9.892691 
1 1 1 -16 -16 43 o 80.328  4.8417  799.296    93.928   802.089    120.198  794.917    150.533  79.929  6.2473  78.741  7.9896  1.187630       10.14211 
1 1 1 -16 -16 44 o 43.564  5.3555  238.763    55.418   241.948    68.312   232.633    94.778   43.438  6.6966  41.549  9.5949  1.888542       11.70069 
1 1 1 -16 -16 45 o 23.126  6.4272  69.166     37.364   63.879     46.802   78.458     62.044   22.707  7.3997  25.267  8.5287  -2.560396      11.29136 
1 1 1 -16 -16 46 o 57.390  4.3119  408.195    59.605   413.490    76.815   400.182    94.491   57.359  5.5904  55.822  7.1399  1.537064       9.068084 
1 1 1 -16 -16 47 o 17.128  6.4389  28.298     36.322   54.190     41.999   -48.5260   72.344   21.098  7.0163  16.689  7.6942  4.409895       10.41288 
1 1 1 -16 -16 48 o 34.215  8.9979  158.301    75.695   -98.3886   153.674  240.532    86.979   23.658  11.013  42.364  8.7513  -18.70588      14.06635 
1 1 1 -16 -16 49 o 53.749  7.7913  377.877    98.650   403.200    167.889  364.524    121.917  52.324  13.219  51.568  10.105  0.7558250      16.63898 
1 1 1 -16 -16 50 o 28.425  9.1106  106.581    71.139   -15.4340   139.116  149.784    82.781   25.196  11.231  33.051  9.6929  -7.855001      14.83545 
1 1 1 -16 -16 51 o 47.668  4.5066  284.487    51.506   320.014    68.122   237.075    78.697   50.135  5.7013  42.102  7.9959  8.032963       9.820396 
1 1 1 -16 -16 52 f 20.292  6.7647  50.952     39.032   -5.2775    49.837   140.169    62.776   15.739  6.8800  32.101  8.0687  -16.36226      10.60369 
1 1 1 -16 -16 53 o 51.503  4.4089  332.554    54.567   273.384    73.818   403.835    81.021   45.609  6.8846  56.033  6.0555  -10.42384      9.168818 
1 1 1 -16 -16 54 o 11.147  5.1644  -25.5851   33.185   -17.0487   41.768   -40.1974   54.647   13.447  6.0612  14.216  6.6007  -0.7687845     8.961418 
1 1 1 -16 -16 55 f 34.471  6.0044  155.988    48.397   155.557    60.901   156.727    79.727   33.722  7.6222  33.105  9.4555  0.6170502      12.14515 
1 1 1 -16 -16 56 o 17.759  6.9270  29.161     43.092   31.427     52.506   24.486     75.424   19.036  7.5777  20.834  8.7685  -1.797884      11.58909 
1 1 1 -16 -16 57 o 27.344  8.2181  103.799    58.932   103.799    58.932   0.0000     0.0000   27.344  8.2181  ?       ?       0.000000       8.218054 
1 1 1 -16 -16 58 o 16.844  6.8770  19.024     44.465   12.702     49.873   43.528     98.182   16.984  7.1381  23.912  10.031  -6.928242      12.31143 
1 1 1 -16 -16 59 o 52.157  4.8798  346.349    61.039   322.530    80.495   378.574    93.630   49.176  6.9390  52.956  7.4962  -3.780529      10.21485 
1 1 1 -16 -16 60 o 47.690  5.0488  290.827    57.533   308.508    73.805   263.443    91.852   48.386  6.4468  43.045  9.0799  5.340996       11.13581 
1 1 1 -16 -16 61 o 58.494  10.098  496.723    138.144  412.312    295.217  520.388    156.314  43.984  17.808  58.609  11.402  -14.62547      21.14548 
1 1 1 -16 -16 62 o 36.627  11.562  210.887    114.899  181.183    275.759  217.128    126.393  35.582  15.840  36.788  12.169  -1.205441      19.97487 
1 1 1 -16 -16 63 o 13.438  6.7010  -200.8418  88.170   -53.4243   217.827  -229.7270  96.422   26.984  12.734  13.789  6.8961  13.19543       14.48184 
1 1 1 -16 -15 1  o 127.650 5.5755  1990.34    172.690  1781.95    264.012  2146.17    228.303  119.768 9.1542  132.079 7.1504  -12.31075      11.61583 
1 1 1 -16 -15 2  o 80.633  3.9490  791.367    77.261   698.794    153.238  822.922    89.465   74.851  8.5931  82.062  4.5104  -7.211365      9.704891 
1 1 1 -16 -15 3  o 69.484  3.7210  589.037    62.508   318.989    98.454   771.400    80.906   50.281  8.3636  79.488  4.2099  -29.20634      9.363351 
1 1 1 -16 -15 4  o 133.442 4.0161  2167.12    130.036  1955.98    197.135  2329.75    173.014  126.302 6.4542  138.218 5.1588  -11.91620      8.262565 
1 1 1 -16 -15 5  o 148.977 4.2063  2701.65    152.048  2414.30    228.248  2930.88    203.867  140.473 6.6966  154.998 5.4207  -14.52557      8.615571 
1 1 1 -16 -15 6  o 15.057  5.4486  22.824     25.590   70.759     38.786   -14.1279   34.054   23.696  6.5343  12.439  5.5499  11.25722       8.573149 
1 1 1 -16 -15 7  o 92.976  5.2375  1057.31    117.677  1081.19    185.683  1041.28    152.128  93.469  8.2728  92.000  6.8643  1.468529       10.74976 
1 1 1 -16 -15 8  o 81.229  5.2181  807.692    102.303  752.897    162.442  843.710    131.703  77.770  8.7610  82.810  6.6097  -5.039719      10.97462 
1 1 1 -16 -15 9  o 33.579  8.7793  143.736    72.336   0.0000     0.0000   143.736    72.336   ?       ?       33.579  8.7793  0.000000       8.779252 
1 1 1 -16 -15 10 o 161.307 6.3402  3179.13    248.153  3179.13    248.153  0.0000     0.0000   161.307 6.3402  ?       ?       0.000000       6.340212 
1 1 1 -16 -15 11 o 175.304 6.7141  3757.84    285.590  3757.84    285.590  0.0000     0.0000   175.304 6.7141  ?       ?       0.000000       6.714077 
1 1 1 -16 -15 12 f 119.235 7.7575  1750.04    223.214  1750.04    223.214  0.0000     0.0000   119.235 7.7575  ?       ?       0.000000       7.757510 
1 1 1 -16 -15 13 o 206.782 5.0258  5210.29    252.161  5151.54    368.736  5261.91    345.607  205.087 7.4099  207.411 6.8673  -2.323837      10.10280 
1 1 1 -16 -15 14 o 302.148 6.4963  11156.82   476.270  12120.64   686.694  10263.43   661.128  313.874 9.0166  288.635 9.4400  25.23901       13.05424 
1 1 1 -16 -15 15 o 243.526 6.2203  7243.10    367.553  8777.41    651.592  6527.06    445.132  266.646 10.071  230.689 7.9524  35.95717       12.83229 
1 1 1 -16 -15 16 o 248.811 5.5889  7551.19    337.410  8274.93    489.513  6896.10    465.715  259.812 7.7650  237.074 8.0960  22.73820       11.21787 
1 1 1 -16 -15 17 o 300.087 6.4713  11004.45   471.195  11726.93   678.683  10332.12   654.705  308.715 9.0604  289.658 9.3153  19.05627       12.99479 
1 1 1 -16 -15 18 o 192.087 4.7616  4494.04    221.930  4818.32    326.484  4215.49    302.590  198.497 6.7787  185.679 6.7163  12.81854       9.542455 
1 1 1 -16 -15 19 o 115.665 3.7004  1626.95    103.852  1697.10    149.616  1561.73    144.268  117.993 5.2259  113.187 5.2530  4.806419       7.409719 
1 1 1 -16 -15 20 f 191.120 5.3391  4453.57    247.595  5350.93    419.173  3972.72    306.844  208.766 8.2750  180.182 7.0184  28.58357       10.85056 
1 1 1 -16 -15 21 o 173.919 5.3374  3688.09    225.238  3855.56    276.838  3360.16    387.401  177.625 6.4233  164.780 9.7325  12.84511       11.66105 
1 1 1 -16 -15 22 o 39.255  8.7383  196.778    81.090   0.0000     0.0000   196.778    81.090   ?       ?       39.255  8.7383  0.000000       8.738296 
1 1 1 -16 -15 23 o 87.589  7.2746  945.864    153.205  0.0000     0.0000   945.864    153.205  ?       ?       87.589  7.2746  0.000000       7.274592 
1 1 1 -16 -15 24 o 92.056  7.3735  1044.71    163.316  0.0000     0.0000   1044.71    163.316  ?       ?       92.056  7.3735  0.000000       7.373526 
1 1 1 -16 -15 25 o 21.458  6.5385  56.485     37.118   45.365     56.337   65.014     49.340   21.752  8.0500  23.406  7.5963  -1.654230      11.06828 
1 1 1 -16 -15 26 o 145.428 4.0937  2573.97    144.455  2659.23    207.354  2493.58    201.357  147.584 5.7904  142.911 5.8068  4.673187       8.200497 
1 1 1 -16 -15 27 o 124.064 3.8020  1872.59    114.453  1871.83    164.186  1873.31    159.631  123.855 5.4634  123.923 5.3088  -0.6858063E-01 7.617899 
1 1 1 -16 -15 28 o 80.355  5.5110  791.771    106.801  885.355    130.017  597.618    187.273  84.850  6.3615  68.367  11.710  16.48283       13.32679 
1 1 1 -16 -15 29 o 79.994  3.6460  778.486    70.768   876.786    101.137  684.190    99.056   84.654  4.9453  74.662  5.5068  9.992165       7.401402 
1 1 1 -16 -15 30 o 132.076 5.8061  2131.95    186.068  2174.26    291.403  2102.82    241.773  132.372 9.1284  130.601 7.6631  1.771362       11.91849 
1 1 1 -16 -15 31 o 20.872  8.1005  34.161     58.704   -19.4680   109.515  55.784     69.539   23.360  10.206  24.070  8.9366  -0.7096920     13.56527 
1 1 1 -16 -15 32 o 138.279 5.9565  2340.22    199.854  2361.93    314.842  2325.57    258.645  137.695 9.4812  137.206 7.8013  0.4894714      12.27819 
1 1 1 -16 -15 33 o 36.412  4.6728  164.411    40.332   150.874    55.181   179.939    59.098   34.461  6.8407  37.740  6.6990  -3.279579      9.574493 
1 1 1 -16 -15 34 o 72.140  3.6293  635.442    63.325   605.729    90.224   664.289    88.902   70.164  5.3397  73.555  5.0111  -3.390747      7.322747 
1 1 1 -16 -15 35 o 43.621  4.3901  234.628    45.835   224.853    61.246   247.073    69.104   42.365  6.1368  44.340  6.6262  -1.975616      9.031456 
1 1 1 -16 -15 36 o 49.240  4.2142  298.207    49.865   278.671    66.172   323.878    75.855   47.272  5.8973  50.932  6.2704  -3.660419      8.607927 
1 1 1 -16 -15 37 o 59.449  3.9780  433.476    57.051   419.029    77.789   450.292    83.925   58.138  5.5829  60.234  5.8145  -2.095928      8.060876 
1 1 1 -16 -15 38 o 65.015  4.3568  519.576    68.332   433.399    82.249   711.589    122.772  59.037  5.8173  75.505  6.7733  -16.46843      8.928517 
1 1 1 -16 -15 39 o 109.311 3.8605  1460.76    102.394  1338.24    144.391  1584.70    145.226  103.997 5.7444  113.480 5.2742  -9.483467      7.798425 
1 1 1 -16 -15 40 o 121.602 3.9988  1810.32    117.987  1733.06    166.969  1887.38    166.748  118.384 5.8127  123.643 5.5581  -5.258614      8.042402 
1 1 1 -16 -15 41 o 10.320  4.8023  -26.1666   29.185   -2.8567    35.003   -79.3352   52.865   13.539  5.8429  12.311  5.9340  1.228220       8.327818 
1 1 1 -16 -15 42 o 33.932  6.1588  147.397    48.840   120.964    59.410   202.503    85.779   30.373  7.9636  39.016  9.2090  -8.643072      12.17476 
1 1 1 -16 -15 43 o 24.914  6.8918  80.356     43.066   45.783     51.703   158.695    77.829   20.970  7.7208  34.500  9.1484  -13.53015      11.97094 
1 1 1 -16 -15 44 o 38.243  5.7836  185.817    51.992   200.064    63.437   156.666    90.745   39.368  6.8921  34.190  10.180  5.178379       12.29376 
1 1 1 -16 -15 45 o 22.080  6.5152  62.340     37.300   77.484     47.860   38.912     59.528   24.559  7.4115  21.011  8.1564  3.548134       11.02077 
1 1 1 -16 -15 46 o 26.773  6.6666  93.678     43.142   115.717    51.073   38.781     80.607   29.673  7.1729  23.110  9.3232  6.563135       11.76321 
1 1 1 -16 -15 47 o 13.579  5.8381  -1.1085    34.683   8.3919     42.038   -21.3617   61.378   15.785  6.5882  16.578  7.4197  -0.7932291     9.922526 
1 1 1 -16 -15 48 o 28.679  9.1106  107.454    71.260   263.070    144.685  57.616     81.880   42.733  12.884  24.602  9.5616  18.13088       16.04458 
1 1 1 -16 -15 49 o 38.059  8.5212  194.733    76.730   330.753    146.724  143.530    90.021   47.762  12.511  32.575  10.227  15.18620       16.15917 
1 1 1 -16 -15 50 o 31.223  8.8275  131.977    69.854   278.986    143.721  86.506     79.931   43.548  12.772  26.791  9.6388  16.75624       16.00072 
1 1 1 -16 -15 51 o 45.018  4.6924  254.617    50.504   259.836    66.766   247.638    77.214   44.885  6.3041  43.226  7.6414  1.659912       9.906244 
1 1 1 -16 -15 52 o 18.564  6.5160  40.031     36.324   51.835     45.474   19.222     60.376   20.852  7.2923  19.108  7.9288  1.743580       10.77229 
1 1 1 -16 -15 53 o 38.271  5.1681  187.037    46.763   230.874    61.755   128.112    71.598   42.151  6.2255  30.443  9.0377  11.70751       10.97434 
1 1 1 -16 -15 54 o 13.885  5.8071  6.8076     32.755   25.901     39.884   -32.7506   57.409   17.091  6.6648  15.063  6.9112  2.028251       9.601246 
1 1 1 -16 -15 55 o 8.7984  4.1319  -22.4485   22.434   -3.5760    23.504   -215.7217  75.216   10.827  4.7291  11.674  5.8727  -0.8468027     7.540116 
1 1 1 -16 -15 56 o 72.298  5.0262  663.462    87.624   577.856    104.789  862.468    159.771  66.409  6.5902  79.492  8.4112  -13.08263      10.68549 
1 1 1 -16 -15 57 o 12.157  5.6306  -28.7284   39.407   -28.7284   39.407   0.0000     0.0000   12.157  5.6306  ?       ?       0.000000       5.630573 
1 1 1 -16 -15 58 o 23.464  7.5594  73.272     48.929   63.848     55.043   108.764    106.818  22.582  8.0119  28.800  10.992  -6.218010      13.60164 
1 1 1 -16 -15 59 o 11.930  5.4509  -19.9240   35.205   2.2796     40.594   -87.2904   70.709   14.721  6.3222  14.454  6.9412  0.2672615      9.388904 
1 1 1 -16 -15 60 o 60.384  4.6998  461.448    68.317   432.273    89.923   501.274    105.064  57.319  6.5852  61.321  7.1982  -4.002190      9.755953 
1 1 1 -16 -15 61 f 28.646  11.271  103.179    114.910  139.939    260.410  94.290     128.051  34.572  15.392  28.627  11.677  5.945095       19.31968 
1 1 1 -16 -15 62 o 30.454  11.549  131.648    117.464  -15.1748   267.936  166.581    130.693  30.328  14.254  33.030  12.254  -2.701786      18.79727 
1 1 1 -16 -15 63 o 27.098  10.839  90.889     107.943  444.023    267.217  22.029     117.999  44.397  17.268  23.808  10.492  20.58925       20.20551 
1 1 1 -16 -14 1  o 101.522 5.1393  1260.26    126.185  1199.02    194.347  1304.89    165.913  98.418  8.2135  103.038 6.6720  -4.620369      10.58194 
1 1 1 -16 -14 2  o 22.510  6.6210  62.994     38.575   24.928     65.928   82.810     47.567   20.968  8.4413  25.671  7.2937  -4.703341      11.15587 
1 1 1 -16 -14 3  o 74.511  3.5693  675.180    64.532   489.227    101.676  800.611    83.507   62.877  6.7712  80.985  4.2647  -18.10817      8.002296 
1 1 1 -16 -14 4  o 43.372  3.8087  230.577    39.676   201.138    61.659   251.379    51.832   40.048  6.5735  45.172  4.8026  -5.124527      8.140959 
1 1 1 -16 -14 5  o 157.007 4.2733  3000.51    162.797  2868.38    243.592  3107.16    218.850  153.173 6.5542  159.577 5.6521  -6.404785      8.654702 
1 1 1 -16 -14 6  o 263.859 5.9860  8500.12    383.242  7637.67    557.102  9274.93    528.039  249.041 9.2193  274.976 7.9142  -25.93451      12.15033 
1 1 1 -16 -14 7  o 128.729 5.7659  2022.10    180.099  1846.59    276.953  2150.70    237.069  122.083 9.4224  132.309 7.4144  -10.22599      11.98977 
1 1 1 -16 -14 8  o 127.555 5.8085  1985.42    179.773  1669.65    275.529  2219.49    237.225  115.937 9.8890  134.446 7.2992  -18.50936      12.29111 
1 1 1 -16 -14 9  o 133.429 8.8900  2198.44    286.169  2198.44    286.169  0.0000     0.0000   133.429 8.8900  ?       ?       0.000000       8.889978 
1 1 1 -16 -14 10 o 148.880 6.0979  2706.11    220.282  2706.11    220.282  0.0000     0.0000   148.880 6.0979  ?       ?       0.000000       6.097891 
1 1 1 -16 -14 11 o 57.080  5.7707  401.498    78.826   401.498    78.826   0.0000     0.0000   57.080  5.7707  ?       ?       0.000000       5.770682 
1 1 1 -16 -14 12 o ?       ?       -125.9084  17.495   -80.1712   21.689   -211.0995  29.601   5.8453  2.9637  ?       ?       0.000000       2.963660 
1 1 1 -16 -14 13 o 179.003 4.5417  3900.88    197.261  4134.92    291.324  3702.72    268.063  183.956 6.5268  174.111 6.3452  9.845245       9.102777 
1 1 1 -16 -14 14 o 164.224 4.3752  3282.48    174.341  3387.77    258.742  3194.93    235.944  166.532 6.4033  161.789 6.0103  4.743210       8.782136 
1 1 1 -16 -14 15 o 284.385 6.1666  9874.44    425.516  10647.06   614.229  9161.48    590.039  294.420 8.5980  272.986 8.9079  21.43430       12.38052 
1 1 1 -16 -14 16 o 161.053 4.2899  3156.54    167.641  3273.10    240.832  3046.98    233.499  163.748 6.0614  157.986 6.0912  5.762085       8.593216 
1 1 1 -16 -14 17 o 175.098 4.4366  3731.93    188.492  3804.35    270.197  3663.27    263.082  176.491 6.3095  173.197 6.2602  3.294495       8.888159 
1 1 1 -16 -14 18 f 7.2690  3.6372  -75.5058   26.971   -34.4739   46.109   -96.8463   33.253   13.441  6.1768  7.9499  3.9867  5.491004       7.351680 
1 1 1 -16 -14 19 o 62.049  3.7005  469.840    55.460   492.588    81.497   450.217    75.690   63.344  5.3525  60.559  5.2015  2.784748       7.463593 
1 1 1 -16 -14 20 o 160.203 4.2968  3123.46    167.022  3402.19    239.830  2860.96    232.740  166.964 5.9199  153.053 6.2671  13.91013       8.621014 
1 1 1 -16 -14 21 o 104.656 4.9583  1334.41    125.910  1233.24    172.051  1451.06    184.754  100.142 7.1273  108.682 7.0440  -8.540001      10.02075 
1 1 1 -16 -14 22 o 124.040 7.8381  1893.66    234.692  0.0000     0.0000   1893.66    234.692  ?       ?       124.040 7.8381  0.000000       7.838120 
1 1 1 -16 -14 23 o 132.859 8.0183  2173.09    257.275  0.0000     0.0000   2173.09    257.275  ?       ?       132.859 8.0183  0.000000       8.018261 
1 1 1 -16 -14 24 o 259.745 11.760  8385.08    741.176  0.0000     0.0000   8385.08    741.176  ?       ?       259.745 11.760  0.000000       11.76008 
1 1 1 -16 -14 25 o 148.206 4.1125  2672.89    147.890  2771.24    212.541  2580.58    205.913  150.681 5.8133  145.401 5.8365  5.279419       8.237630 
1 1 1 -16 -14 26 o 43.662  4.2391  234.204    44.343   248.121    61.888   219.521    63.567   44.712  5.8444  41.900  6.4601  2.811241       8.711518 
1 1 1 -16 -14 27 o 80.077  3.6205  779.862    70.345   838.450    99.584   721.511    99.383   82.792  4.9804  76.725  5.3723  6.067162       7.325668 
1 1 1 -16 -14 28 o 27.858  5.7253  98.196     37.407   90.151     52.409   106.550    53.409   26.791  7.6711  28.944  7.5322  -2.152914      10.75080 
1 1 1 -16 -14 29 o 120.624 3.7646  1770.29    110.184  1846.27    157.385  1697.24    154.309  123.018 5.2727  117.933 5.3925  5.084671       7.541912 
1 1 1 -16 -14 30 o 129.952 5.9443  2064.11    187.435  1892.83    293.521  2182.04    243.561  123.266 9.8972  133.099 7.5730  -9.833160      12.46212 
1 1 1 -16 -14 31 o 101.201 5.8872  1256.31    143.938  1230.55    225.079  1274.14    187.226  99.300  9.4558  101.539 7.6556  -2.238937      12.16637 
1 1 1 -16 -14 32 o 85.196  6.0589  892.690    124.434  833.550    195.172  933.193    161.518  81.321  10.109  86.749  7.7552  -5.428368      12.74140 
1 1 1 -16 -14 33 o 49.189  4.2761  297.137    50.529   320.210    66.326   265.224    78.003   50.893  5.4561  45.908  7.2428  4.985096       9.067906 
1 1 1 -16 -14 34 o 144.052 4.2235  2530.43    147.624  2295.28    209.156  2763.86    208.391  136.767 6.3027  150.231 5.7168  -13.46321      8.509164 
1 1 1 -16 -14 35 o 146.123 4.2541  2605.51    150.832  2552.46    213.935  2657.94    212.688  144.183 6.1151  147.177 5.9558  -2.993835      8.536162 
1 1 1 -16 -14 36 o 139.260 4.1290  2367.26    139.518  2267.47    197.528  2466.60    197.089  135.835 5.9931  141.752 5.7302  -5.916824      8.291718 
1 1 1 -16 -14 37 o 94.578  3.8034  1091.56    87.284   978.235    121.601  1212.01    125.360  89.048  5.6572  99.272  5.2228  -10.22322      7.699469 
1 1 1 -16 -14 38 o 72.600  3.8986  645.669    68.426   595.824    93.204   703.942    100.776  69.377  5.5840  75.456  5.5431  -6.078285      7.868107 
1 1 1 -16 -14 39 o 117.557 3.9631  1689.89    113.043  1575.87    158.486  1807.97    161.285  112.873 5.8064  121.159 5.4862  -8.286102      7.988341 
1 1 1 -16 -14 40 o 141.631 4.2411  2458.16    145.748  2293.37    206.763  2620.91    205.480  136.000 6.2657  145.606 5.8160  -9.605240      8.548983 
1 1 1 -16 -14 41 o 77.679  3.8415  738.714    72.405   718.949    98.771   761.672    106.452  76.123  5.3821  78.279  5.6425  -2.155319      7.797745 
1 1 1 -16 -14 42 o 48.269  5.2858  291.198    60.895   316.356    75.137   243.043    103.953  50.030  6.3312  42.507  10.207  7.523510       12.01153 
1 1 1 -16 -14 43 o 13.410  5.9104  -9.4723    37.462   -31.6103   44.932   41.007     67.849   13.248  6.0917  22.134  8.6756  -8.885307      10.60070 
1 1 1 -16 -14 44 o 50.434  5.2156  318.204    62.902   324.567    77.555   305.970    107.535  50.540  6.4730  47.830  9.5995  2.710201       11.57798 
1 1 1 -16 -14 45 o 60.747  4.2415  456.346    62.126   408.744    84.155   513.365    92.102   56.859  6.2003  63.861  6.0148  -7.001938      8.638412 
1 1 1 -16 -14 46 o 57.359  4.1942  407.121    57.969   396.565    77.961   420.174    86.693   56.106  5.8109  57.585  6.3078  -1.478420      8.576439 
1 1 1 -16 -14 47 o 102.455 3.9486  1290.90    98.161   1235.10    136.843  1350.05    140.887  99.344  5.7009  103.928 5.6077  -4.584076      7.996626 
1 1 1 -16 -14 48 o 55.072  6.8602  388.959    89.684   502.667    176.758  349.538    104.075  59.317  12.666  51.367  8.6580  7.949673       15.34257 
1 1 1 -16 -14 49 o 71.777  6.4310  654.896    110.814  475.684    199.753  734.569    133.188  56.024  14.561  75.529  7.3611  -19.50474      16.31562 
1 1 1 -16 -14 50 o 48.410  4.8751  294.162    56.485   277.739    69.942   324.959    95.780   46.486  6.3683  49.470  8.2715  -2.983177      10.43895 
1 1 1 -16 -14 51 f 37.929  5.2046  182.968    46.636   171.933    60.772   198.775    72.735   36.036  7.2022  38.461  8.0523  -2.425003      10.80328 
1 1 1 -16 -14 52 o 13.348  5.8095  -3.7427    35.198   -12.6120   42.537   15.518     62.683   13.971  6.2204  19.097  8.0132  -5.125440      10.14415 
1 1 1 -16 -14 53 o 51.799  4.4675  336.552    55.601   379.639    73.192   277.755    85.499   54.541  5.6107  45.384  8.0595  9.157478       9.820109 
1 1 1 -16 -14 54 o 54.614  4.3469  373.951    57.126   398.190    75.715   341.919    87.040   55.750  5.6765  50.776  7.2723  4.973206       9.225476 
1 1 1 -16 -14 55 f 18.672  6.9920  37.071     42.748   8.0218     48.943   130.520    87.782   16.540  7.0178  30.435  10.145  -13.89446      12.33545 
1 1 1 -16 -14 56 o 75.024  4.9188  712.659    89.044   651.216    106.104  858.992    163.746  70.812  6.2391  79.096  8.6743  -8.284218      10.68507 
1 1 1 -16 -14 57 o 18.891  7.1344  37.800     44.704   39.554     47.769   25.433     126.846  19.381  7.3615  25.078  10.969  -5.697060      13.21021 
1 1 1 -16 -14 58 o 34.787  6.8455  162.826    55.724   171.540    61.029   119.142    136.638  35.494  7.3292  30.521  12.200  4.972292       14.23214 
1 1 1 -16 -14 59 o 18.643  6.9552  37.686     42.222   30.618     48.312   60.541     86.874   18.501  7.2989  24.351  9.7298  -5.850527      12.16322 
1 1 1 -16 -14 60 o 29.269  6.6961  115.628    46.524   95.194     56.346   159.405    82.471   26.343  8.0617  33.160  9.6604  -6.817528      12.58227 
1 1 1 -16 -14 61 o 27.276  10.827  87.453     106.906  -300.2771  241.129  182.312    119.269  24.022  11.816  34.477  11.824  -10.45482      16.71583 
1 1 1 -16 -14 62 o 33.209  11.826  169.366    120.025  -12.2966   272.714  213.007    133.666  30.543  14.364  36.305  12.513  -5.761255      19.04988 
1 1 1 -16 -13 1  o 75.439  4.8589  696.344    88.466   717.141    138.763  682.102    114.829  76.101  7.6171  74.423  6.4217  1.677971       9.962867 
1 1 1 -16 -13 2  o 71.831  4.8623  631.530    84.247   517.441    129.713  714.770    110.797  64.345  8.5175  76.269  6.0364  -11.92427      10.43964 
1 1 1 -16 -13 3  o 38.670  3.9600  183.821    36.633   143.783    57.237   211.601    47.677   33.637  7.2281  41.398  4.8376  -7.761005      8.697546 
1 1 1 -16 -13 4  o 164.274 4.3519  3284.79    173.465  3135.32    259.087  3406.23    233.531  160.137 6.6679  167.076 5.7606  -6.938766      8.811684 
1 1 1 -16 -13 5  o 351.107 7.5818  15104.02   645.917  13414.31   929.107  16684.54   898.586  328.700 11.649  367.644 10.073  -38.94412      15.40055 
1 1 1 -16 -13 6  o 91.789  3.5619  1024.36    79.331   1026.90    120.928  1022.44    105.110  91.609  5.4652  91.505  4.7504  0.1037598      7.241214 
1 1 1 -16 -13 7  o 229.254 7.6692  6439.46    426.610  6273.10    632.553  6578.26    577.795  224.558 11.649  230.797 10.318  -6.238449      15.56144 
1 1 1 -16 -13 8  o 144.865 9.2010  2591.96    321.738  2591.96    321.738  0.0000     0.0000   144.865 9.2010  ?       ?       0.000000       9.200953 
1 1 1 -16 -13 9  o 86.926  8.4932  936.198    176.850  936.198    176.850  0.0000     0.0000   86.926  8.4932  ?       ?       0.000000       8.493224 
1 1 1 -16 -13 10 o 141.258 6.0204  2435.29    206.347  2435.29    206.347  0.0000     0.0000   141.258 6.0204  ?       ?       0.000000       6.020368 
1 1 1 -16 -13 11 o 186.066 4.6928  4215.40    211.866  3989.08    309.907  4414.00    290.301  180.587 7.0726  190.124 6.2929  -9.536743      9.466884 
1 1 1 -16 -13 12 o 151.255 4.6453  2785.41    170.486  3096.49    306.490  2646.03    205.154  158.736 7.9830  147.285 5.7406  11.45177       9.832723 
1 1 1 -16 -13 13 o 62.914  3.7896  483.074    57.581   409.522    95.366   525.271    72.234   57.457  6.9841  65.530  4.5716  -8.072422      8.347272 
1 1 1 -16 -13 14 o 146.684 4.5062  2619.05    160.383  2862.61    269.764  2485.89    199.463  152.947 7.2691  142.757 5.7584  10.19002       9.273569 
1 1 1 -16 -13 15 o 143.519 4.0042  2505.48    139.440  2671.87    200.911  2350.85    193.682  148.023 5.5939  138.826 5.7498  9.196793       8.021949 
1 1 1 -16 -13 16 o 66.825  3.5797  544.451    57.832   472.357    84.206   608.818    79.565   61.981  5.6617  70.560  4.6737  -8.579437      7.341541 
1 1 1 -16 -13 17 o 160.075 4.2657  3118.00    165.682  3178.04    237.812  3061.37    230.958  161.362 6.0739  158.382 6.0098  2.979675       8.544626 
1 1 1 -16 -13 18 o 177.007 4.5153  3813.92    193.930  4102.30    277.990  3540.53    270.673  183.297 6.2504  170.230 6.5531  13.06624       9.055961 
1 1 1 -16 -13 19 o 142.820 4.0712  2481.42    141.083  2636.81    202.996  2336.23    196.219  147.033 5.6899  138.379 5.8439  8.653992       8.156412 
1 1 1 -16 -13 20 o 100.404 4.1259  1226.48    100.515  1665.82    169.594  988.591    124.796  116.677 6.0109  89.842  5.7550  26.83511       8.321699 
1 1 1 -16 -13 21 o 165.104 8.8256  3359.25    352.284  0.0000     0.0000   3359.25    352.284  ?       ?       165.104 8.8256  0.000000       8.825632 
1 1 1 -16 -13 22 o 217.512 10.359  5843.39    546.701  0.0000     0.0000   5843.39    546.701  ?       ?       217.512 10.359  0.000000       10.35862 
1 1 1 -16 -13 23 o 88.197  7.5611  959.643    160.245  0.0000     0.0000   959.643    160.245  ?       ?       88.197  7.5611  0.000000       7.561148 
1 1 1 -16 -13 24 o 360.276 10.832  16064.78   946.890  17197.01   1323.54  14877.67   1355.23  369.641 14.757  342.446 16.310  27.19528       21.99511 
1 1 1 -16 -13 25 o 151.624 4.1278  2797.44    151.862  2833.80    216.833  2762.42    212.756  152.376 5.8647  150.451 5.8281  1.925873       8.268053 
1 1 1 -16 -13 26 o 31.461  5.3570  124.027    39.429   134.037    54.568   113.091    57.036   32.471  7.1220  29.827  7.7944  2.643818       10.55825 
1 1 1 -16 -13 27 o 68.146  3.9350  566.854    64.788   532.918    87.545   607.945    96.333   65.865  5.5290  70.355  5.6919  -4.489784      7.935200 
1 1 1 -16 -13 28 o 63.958  4.4827  500.565    69.126   585.935    81.557   282.792    130.260  69.169  4.8910  46.790  11.544  22.37885       12.53777 
1 1 1 -16 -13 29 o 127.082 4.0105  1965.47    123.663  1682.96    173.604  2256.47    176.197  117.193 6.1264  136.000 5.3394  -18.80694      8.126642 
1 1 1 -16 -13 30 o 27.791  9.7971  84.288     82.178   31.796     118.957  132.208    113.659  27.197  11.192  33.806  11.543  -6.608898      16.07811 
1 1 1 -16 -13 31 o 99.968  5.9320  1225.91    143.244  1226.35    224.200  1225.60    186.206  99.164  9.4315  99.568  7.7690  -0.4037399     12.21922 
1 1 1 -16 -13 32 o 189.548 6.9602  4408.12    320.115  4383.79    483.763  4427.08    426.961  187.329 10.687  189.126 9.3041  -1.796448      14.16983 
1 1 1 -16 -13 33 o 44.450  4.5774  243.484    48.662   233.395    64.159   257.147    74.666   43.204  6.3061  45.242  7.0298  -2.038300      9.443794 
1 1 1 -16 -13 34 o 114.654 4.0425  1602.13    112.462  1583.87    157.548  1621.09    160.587  113.597 5.7344  115.062 5.7519  -1.465530      8.122088 
1 1 1 -16 -13 35 f 79.180  3.9161  764.285    75.238   756.215    102.983  773.524    110.187  78.402  5.4473  79.231  5.7712  -0.8297043     7.935950 
1 1 1 -16 -13 36 o 8.0955  4.0167  -72.4230   30.094   -90.6624   37.568   -39.7612   50.273   9.0293  4.4814  13.847  6.3945  -4.817554      7.808493 
1 1 1 -16 -13 37 o 147.091 4.2541  2643.72    151.829  2510.22    215.267  2775.88    214.174  142.752 6.2149  150.237 5.8753  -7.484650      8.552371 
1 1 1 -16 -13 38 o 79.038  3.9029  763.032    74.848   654.600    102.138  888.805    110.003  72.681  5.8410  84.886  5.3684  -12.20535      7.933259 
1 1 1 -16 -13 39 o 77.973  3.8664  743.088    73.150   799.464    101.385  681.875    105.645  80.470  5.2207  74.100  5.9254  6.370110       7.897219 
1 1 1 -16 -13 40 o 62.910  4.0773  486.548    61.903   490.047    84.608   482.517    90.810   62.772  5.6142  62.147  6.1007  0.6246452      8.290877 
1 1 1 -16 -13 41 o 44.502  4.3605  245.298    46.480   240.516    63.359   250.869    68.394   43.624  6.1569  44.462  6.5345  -0.8379669     8.978174 
1 1 1 -16 -13 42 o 25.919  7.0011  87.003     45.068   117.900    53.950   15.644     81.989   30.049  7.4390  21.797  9.1562  8.252008       11.79728 
1 1 1 -16 -13 43 o 50.239  5.2875  315.589    63.488   360.623    78.177   228.357    108.804  53.480  6.1355  40.954  10.796  12.52655       12.41778 
1 1 1 -16 -13 44 f 44.074  5.6978  245.201    59.507   270.418    73.425   196.937    101.580  45.968  6.7872  38.051  10.605  7.916325       12.59134 
1 1 1 -16 -13 45 o 30.999  6.4023  124.510    46.562   110.368    66.962   137.748    64.789   29.046  8.7670  32.224  8.2507  -3.177382      12.03884 
1 1 1 -16 -13 46 o 40.673  5.3546  208.738    51.559   191.436    69.862   229.434    76.407   38.148  7.8105  41.851  7.8116  -3.702900      11.04646 
1 1 1 -16 -13 47 o 55.942  4.3088  387.966    58.037   322.824    78.145   468.096    86.670   50.277  6.5622  60.927  5.9381  -10.65027      8.850034 
1 1 1 -16 -13 48 o 25.210  8.6832  77.447     64.358   201.484    130.455  37.549     73.988   38.051  12.352  22.306  8.9557  15.74504       15.25695 
1 1 1 -16 -13 49 o 14.353  6.6422  -40.8142   54.672   -185.8734  127.542  -8.1589    60.514   18.645  9.0436  17.256  7.5612  1.388952       11.78805 
1 1 1 -16 -13 50 f 31.908  5.8572  131.590    43.677   120.981    56.466   147.392    68.914   30.089  7.7016  32.998  8.5409  -2.908621      11.50049 
1 1 1 -16 -13 51 o 23.662  6.5601  73.519     38.974   110.694    49.333   11.786     63.572   28.838  7.0981  18.986  8.0236  9.851944       10.71269 
1 1 1 -16 -13 52 o 45.705  4.9626  263.977    54.150   214.765    68.692   344.756    88.008   40.244  7.3036  51.230  7.2852  -10.98636      10.31589 
1 1 1 -16 -13 53 f 38.440  5.6117  190.243    50.798   187.400    62.763   195.643    86.495   37.510  7.1571  37.252  9.5304  0.2571716      11.91860 
1 1 1 -16 -13 54 o 45.830  5.1989  267.788    56.791   183.082    71.956   407.713    92.482   36.437  8.3215  55.678  7.0002  -19.24178      10.87429 
1 1 1 -16 -13 55 o 14.192  6.1112  0.5551     38.117   10.717     40.175   -91.0641   120.631  15.490  6.4508  20.127  9.4917  -4.636993      11.47628 
1 1 1 -16 -13 56 o 44.576  5.4094  255.671    57.309   252.561    69.716   262.153    100.645  43.603  6.8122  42.506  9.9365  1.097153       12.04739 
1 1 1 -16 -13 57 o 30.782  7.3275  129.605    53.940   125.549    58.673   151.743    137.078  30.079  7.9274  32.603  12.449  -2.523611      14.75913 
1 1 1 -16 -13 58 o 37.286  6.6773  185.457    58.191   190.484    63.855   160.835    141.322  37.496  7.2810  33.246  12.654  4.250408       14.59891 
1 1 1 -16 -13 59 o 53.551  5.0440  365.257    64.769   247.237    81.644   565.633    106.382  42.299  8.2512  65.569  6.7848  -23.27037      10.68252 
1 1 1 -16 -13 60 o 34.606  6.2751  158.683    50.751   139.909    59.810   206.960    95.912   31.801  7.8085  37.433  10.256  -5.631878      12.89050 
1 1 1 -16 -13 61 o 31.809  11.362  148.068    110.869  23.877     267.434  173.842    121.832  31.636  14.658  33.817  11.928  -2.181454      18.89813 
1 1 1 -16 -13 62 o 51.285  10.859  397.671    130.924  205.924    277.262  452.694    148.525  36.294  16.034  53.978  11.679  -17.68375      19.83647 
1 1 1 -16 -12 1  o 108.264 5.1443  1428.72    135.136  1291.95    204.525  1534.69    180.032  102.240 8.3165  111.835 6.6647  -9.595551      10.65755 
1 1 1 -16 -12 2  o 164.900 6.1673  3320.79    246.761  2781.50    362.304  3787.42    337.012  149.792 10.026  175.734 7.9036  -25.94127      12.76678 
1 1 1 -16 -12 3  o 54.434  3.4847  361.693    45.784   354.804    71.303   366.526    59.722   53.654  5.5575  54.682  4.5423  -1.027489      7.177598 
1 1 1 -16 -12 4  o 291.236 6.5120  10363.63   460.173  8961.01    666.040  11644.70   636.528  269.434 10.188  307.937 8.5191  -38.50305      13.28034 
1 1 1 -16 -12 5  o 173.048 4.4997  3645.26    188.937  3121.79    279.708  4084.53    256.227  159.721 7.2174  182.981 5.7711  -23.25932      9.240967 
1 1 1 -16 -12 6  o 53.651  3.7986  351.782    49.130   187.869    75.617   471.524    64.630   38.404  8.3526  62.099  4.3161  -23.69455      9.401871 
1 1 1 -16 -12 7  o 195.570 10.415  4735.08    492.436  4735.08    492.436  0.0000     0.0000   195.570 10.415  ?       ?       0.000000       10.41479 
1 1 1 -16 -12 8  o 290.525 13.390  10538.34   943.927  10538.34   943.927  0.0000     0.0000   290.525 13.390  ?       ?       0.000000       13.39033 
1 1 1 -16 -12 9  o 280.921 13.057  9838.43    890.031  9838.43    890.031  0.0000     0.0000   280.921 13.057  ?       ?       0.000000       13.05743 
1 1 1 -16 -12 10 o 137.710 4.0149  2306.72    134.156  2418.11    198.446  2212.96    182.061  140.796 5.8088  134.721 5.5695  6.075577       8.047468 
1 1 1 -16 -12 11 o 99.815  3.6367  1211.30    88.079   1255.62    134.586  1178.10    116.489  101.340 5.4939  98.354  4.8812  2.986259       7.349068 
1 1 1 -16 -12 12 o 62.235  3.3150  472.061    49.879   440.138    71.769   501.887    69.371   59.908  4.9825  64.059  4.4915  -4.150852      6.708056 
1 1 1 -16 -12 13 o 78.796  3.8333  755.034    73.290   865.015    122.614  693.899    91.418   83.978  6.0581  75.308  5.0319  8.669296       7.875329 
1 1 1 -16 -12 14 o 104.876 3.6271  1337.22    92.300   1399.53    133.764  1280.58    127.524  107.177 5.1437  102.394 5.1492  4.783493       7.278173 
1 1 1 -16 -12 15 o 77.832  3.5373  736.407    66.802   753.930    98.148   721.285    91.180   78.493  5.1825  76.801  4.9188  1.692101       7.145086 
1 1 1 -16 -12 16 o 63.272  3.6270  488.299    55.451   505.741    82.493   473.921    74.896   64.199  5.3443  62.177  5.0068  2.021866       7.323207 
1 1 1 -16 -12 17 f 106.407 3.6802  1376.62    95.018   1395.67    137.863  1359.39    131.141  107.014 5.3094  105.631 5.1166  1.383125       7.373532 
1 1 1 -16 -12 18 o 128.330 3.8440  2002.72    119.694  1980.64    172.416  2023.27    166.296  127.453 5.5752  128.846 5.3192  -1.393097      7.705661 
1 1 1 -16 -12 19 o 310.028 6.7180  11746.10   505.365  12421.62   718.896  11086.14   710.564  317.754 9.3242  299.987 9.7619  17.76663       13.49948 
1 1 1 -16 -12 20 o 308.638 9.3573  11720.84   700.750  0.0000     0.0000   11720.84   700.750  ?       ?       308.638 9.3573  0.000000       9.357290 
1 1 1 -16 -12 21 o 196.891 9.7542  4776.12    465.995  0.0000     0.0000   4776.12    465.995  ?       ?       196.891 9.7542  0.000000       9.754192 
1 1 1 -16 -12 22 o 37.741  9.5755  182.121    87.828   0.0000     0.0000   182.121    87.828   ?       ?       37.741  9.5755  0.000000       9.575513 
1 1 1 -16 -12 23 o 135.670 5.6481  2244.89    185.931  2301.33    255.857  2181.73    270.659  136.838 7.7377  133.062 8.4266  3.775360       11.44023 
1 1 1 -16 -12 24 o 291.792 7.2116  10419.72   510.582  10301.71   869.222  10481.89   630.897  287.677 12.453  291.998 8.9046  -4.321594      15.30884 
1 1 1 -16 -12 25 o 38.740  4.5169  185.170    41.662   214.702    59.540   156.839    58.316   41.504  6.0938  35.189  7.0753  6.315041       9.337785 
1 1 1 -16 -12 26 o 175.296 4.5247  3741.27    192.451  3655.51    274.338  3824.37    270.047  172.941 6.5377  176.939 6.2900  -3.997696      9.072225 
1 1 1 -16 -12 27 o 109.810 3.8658  1466.81    103.002  1384.51    143.356  1554.63    148.092  106.390 5.5727  112.907 5.4057  -6.516861      7.763770 
1 1 1 -16 -12 28 o 49.487  6.5486  304.541    76.702   472.456    144.553  238.737    90.491   61.069  10.109  43.276  8.9144  17.79293       13.47801 
1 1 1 -16 -12 29 o 81.403  3.9339  806.297    77.701   756.126    106.640  863.078    113.448  78.510  5.6355  83.909  5.6044  -5.399811      7.947839 
1 1 1 -16 -12 30 o 130.801 6.1174  2091.22    194.152  1840.85    298.235  2275.38    255.775  121.515 10.210  135.910 7.7885  -14.39481      12.84121 
1 1 1 -16 -12 31 o 150.019 6.4030  2754.19    233.074  2503.75    354.464  2944.95    309.355  141.690 10.382  154.467 8.2841  -12.77673      13.28241 
1 1 1 -16 -12 32 o 29.501  9.7354  103.369    80.917   75.629     114.536  131.010    114.331  29.565  11.358  33.695  11.575  -4.129770      16.21718 
1 1 1 -16 -12 33 o 99.984  3.8608  1217.30    93.664   1163.61    130.753  1273.88    134.238  97.408  5.5552  101.953 5.4461  -4.545578      7.779440 
1 1 1 -16 -12 34 o 98.649  3.8623  1185.48    92.449   1163.67    129.236  1208.35    132.304  97.383  5.4918  99.236  5.5164  -1.852524      7.784003 
1 1 1 -16 -12 35 o 119.015 4.0579  1727.22    117.184  1612.71    164.405  1845.48    167.075  114.524 5.9367  122.739 5.6100  -8.215485      8.168046 
1 1 1 -16 -12 36 o 29.483  6.2428  110.825    43.268   150.095    55.127   47.816     69.828   34.308  6.8618  23.262  8.8848  11.04657       11.22603 
1 1 1 -16 -12 37 o 60.585  3.9677  449.951    58.005   390.582    79.891   516.141    84.355   56.046  5.9664  64.632  5.4293  -8.586014      8.066948 
1 1 1 -16 -12 38 o 65.582  3.8402  526.965    60.843   502.439    84.531   553.330    87.643   63.697  5.5241  66.885  5.4478  -3.188030      7.758468 
1 1 1 -16 -12 39 o 65.738  3.8195  529.805    60.661   495.280    85.441   564.897    86.139   63.161  5.6343  67.570  5.2963  -4.409779      7.732765 
1 1 1 -16 -12 40 o 80.923  3.7809  800.740    74.238   774.771    104.257  827.453    105.736  79.085  5.4667  81.774  5.3586  -2.688705      7.655024 
1 1 1 -16 -12 41 o 63.226  3.8811  491.209    59.253   484.220    84.494   497.971    83.115   62.335  5.6477  63.272  5.4675  -0.9374199     7.860693 
1 1 1 -16 -12 42 o 50.953  5.2873  324.049    64.417   353.972    79.152   265.358    110.853  52.986  6.2786  44.373  10.466  8.612888       12.20456 
1 1 1 -16 -12 43 o 66.002  5.0750  541.221    80.651   556.453    99.403   511.876    137.971  66.540  6.2292  62.453  9.3958  4.087135       11.27321 
1 1 1 -16 -12 44 o 50.966  4.4010  322.037    53.890   331.376    79.211   313.990    73.530   51.063  6.5437  49.794  6.2217  1.268986       9.029406 
1 1 1 -16 -12 45 f 13.019  5.8577  -17.5166   38.809   -6.5008    56.655   -27.2556   53.271   16.891  7.3608  14.969  6.7871  1.921239       10.01225 
1 1 1 -16 -12 46 o 43.846  5.0042  240.930    52.285   236.864    74.829   244.808    73.087   42.660  7.5030  43.505  7.1737  -0.8451958     10.38062 
1 1 1 -16 -12 47 o 46.691  4.8882  272.685    54.559   326.826    78.161   221.235    76.194   50.614  6.5156  40.995  7.9468  9.619228       10.27640 
1 1 1 -16 -12 48 o 73.011  6.3619  675.067    111.576  547.206    199.684  733.109    134.539  61.172  13.784  75.542  7.4364  -14.37001      15.66177 
1 1 1 -16 -12 49 o 41.875  7.9773  232.156    78.094   193.227    159.616  244.408    89.544   37.673  13.612  42.575  8.9519  -4.902035      16.29159 
1 1 1 -16 -12 50 o 57.463  4.7482  412.741    65.611   413.090    88.958   412.324    97.158   56.738  6.5841  56.355  7.2752  0.3826752      9.812169 
1 1 1 -16 -12 51 f 79.873  4.2692  792.357    82.439   732.042    112.254  862.973    121.463  75.822  6.1547  82.380  6.1203  -6.558014      8.679774 
1 1 1 -16 -12 52 o 56.999  4.6932  407.531    64.332   352.802    83.924   485.512    100.178  52.075  6.8046  61.164  6.8689  -9.088860      9.668743 
1 1 1 -16 -12 53 o 31.340  6.7696  130.770    49.974   120.953    62.062   148.874    84.280   29.722  8.2917  32.533  9.8391  -2.811054      12.86699 
1 1 1 -16 -12 54 o 44.722  5.5562  256.862    58.993   225.341    72.133   320.529    102.517  40.926  7.5418  48.002  9.1355  -7.076138      11.84639 
1 1 1 -16 -12 55 o 19.794  7.3340  43.450     46.788   24.997     51.215   136.558    115.042  18.345  7.4208  31.368  11.522  -13.02373      13.70469 
1 1 1 -16 -12 56 o 15.449  6.4709  9.6119     40.756   21.296     46.669   -27.9336   83.656   17.404  7.0685  18.700  8.4887  -1.295654      11.04637 
1 1 1 -16 -12 57 o 55.250  5.8491  394.759    77.220   310.791    87.440   692.297    164.597  47.833  7.8029  69.623  10.033  -21.78952      12.71010 
1 1 1 -16 -12 58 o 22.862  7.4138  68.665     47.003   79.506     49.709   -22.8781   144.444  24.337  7.5928  24.391  11.104  -0.5468941E-01 13.45179 
1 1 1 -16 -12 59 f 87.685  4.4800  965.464    94.998   797.262    126.028  1186.80    144.569  78.024  6.7226  95.739  6.2577  -17.71526      9.184345 
1 1 1 -16 -12 60 o 49.073  8.2967  331.354    95.268   420.633    260.986  317.630    102.329  45.986  17.265  47.378  9.2333  -1.391296      19.57928 
1 1 1 -16 -12 61 o 25.201  10.071  68.114     93.093   -251.7782  335.799  94.746     96.891   29.037  14.213  27.352  10.461  1.685484       17.64784 
1 1 1 -16 -12 62 o 54.131  9.7964  426.699    123.932  491.998    397.156  419.655    130.446  43.581  19.224  53.010  10.513  -9.428867      21.91113 
1 1 1 -16 -11 1  o 131.292 5.4754  2101.96    174.428  1839.47    258.924  2320.07    236.021  122.025 8.8041  137.519 7.0975  -15.49347      11.30871 
1 1 1 -16 -11 2  o 179.117 6.4376  3919.32    279.787  3251.70    408.201  4510.88    384.243  161.924 10.445  191.733 8.2593  -29.80917      13.31619 
1 1 1 -16 -11 3  o 75.567  3.4090  694.106    62.507   785.984    97.236   629.398    81.601   80.167  5.0242  71.743  4.7139  8.424751       6.889347 
1 1 1 -16 -11 4  o 191.327 4.8050  4457.77    223.066  3757.07    328.675  5056.13    303.726  175.126 7.7349  203.520 6.1505  -28.39404      9.882132 
1 1 1 -16 -11 5  o 141.963 4.0149  2451.39    138.298  2512.17    206.330  2401.81    186.358  143.493 5.9261  140.364 5.4718  3.128906       8.065900 
1 1 1 -16 -11 6  o 240.367 7.9563  7080.58    464.033  7080.58    464.033  0.0000     0.0000   240.367 7.9563  ?       ?       0.000000       7.956277 
1 1 1 -16 -11 7  o 40.987  10.701  215.118    107.574  215.118    107.574  0.0000     0.0000   40.987  10.701  ?       ?       0.000000       10.70141 
1 1 1 -16 -11 8  o 100.455 8.6000  1247.37    207.600  1247.37    207.600  0.0000     0.0000   100.455 8.6000  ?       ?       0.000000       8.600048 
1 1 1 -16 -11 9  o 108.123 5.4564  1428.57    142.687  1342.83    221.309  1489.56    186.665  104.204 8.8361  110.158 7.0202  -5.954025      11.28542 
1 1 1 -16 -11 10 o 107.751 3.5156  1411.32    91.914   1498.12    132.897  1331.72    127.259  110.910 4.9383  104.563 5.0159  6.346901       7.038909 
1 1 1 -16 -11 11 o 70.404  3.3121  602.392    56.580   634.132    81.838   573.327    78.312   72.019  4.7091  68.460  4.7437  3.559021       6.684205 
1 1 1 -16 -11 12 o 147.429 4.0096  2643.65    143.432  2693.24    206.119  2597.09    199.719  148.611 5.7161  145.944 5.6399  2.666885       8.030089 
1 1 1 -16 -11 13 o 113.588 4.4257  1570.16    121.977  1639.76    150.480  1436.82    208.285  115.996 5.3465  107.993 8.0058  8.003616       9.626915 
1 1 1 -16 -11 14 o 109.297 3.7023  1452.42    98.185   1623.57    142.339  1297.06    135.616  115.448 5.0813  103.015 5.4449  12.43242       7.447582 
1 1 1 -16 -11 15 o 153.905 4.1627  2881.56    155.450  3089.40    223.430  2686.56    216.417  159.156 5.7857  148.387 6.0108  10.76985       8.342884 
1 1 1 -16 -11 16 o 74.784  3.6088  679.901    65.484   753.448    96.092   616.129    89.478   78.485  5.0730  70.919  5.2369  7.565582       7.291110 
1 1 1 -16 -11 17 o 121.749 3.8201  1802.46    112.852  1954.16    164.208  1666.69    155.353  126.629 5.3444  116.932 5.4755  9.697220       7.651348 
1 1 1 -16 -11 18 o 103.195 3.7621  1294.86    94.200   1377.34    138.559  1223.98    128.451  106.170 5.3964  100.081 5.3086  6.089134       7.569785 
1 1 1 -16 -11 19 o 100.295 5.1343  1228.65    124.528  0.0000     0.0000   1228.65    124.528  ?       ?       100.295 5.1343  0.000000       5.134309 
1 1 1 -16 -11 20 o 43.014  6.0074  230.054    60.988   0.0000     0.0000   230.054    60.988   ?       ?       43.014  6.0074  0.000000       6.007428 
1 1 1 -16 -11 21 o 249.220 11.500  7694.76    695.393  0.0000     0.0000   7694.76    695.393  ?       ?       249.220 11.500  0.000000       11.49964 
1 1 1 -16 -11 22 o 134.843 5.6567  2217.30    185.079  2240.30    254.333  2191.41    269.837  135.011 7.7969  133.391 8.3796  1.619492       11.44593 
1 1 1 -16 -11 23 o 184.457 6.3889  4155.26    285.948  4103.39    388.139  4216.83    422.872  182.774 8.7520  184.862 9.4592  -2.087646      12.88701 
1 1 1 -16 -11 24 o 58.918  3.8237  423.921    54.368   521.423    77.077   327.366    76.701   65.247  4.9044  51.404  6.2801  13.84272       7.968224 
1 1 1 -16 -11 25 o 189.748 4.7981  4384.88    220.906  4459.42    314.938  4312.68    309.940  190.986 6.7961  187.816 6.8011  3.169632       9.614670 
1 1 1 -16 -11 26 o 138.022 4.0292  2317.57    134.936  2377.26    192.635  2260.07    189.072  139.597 5.6872  136.108 5.7250  3.489120       8.069676 
1 1 1 -16 -11 27 o 53.395  4.1751  349.045    53.662   310.421    71.444   399.040    81.283   50.075  5.9995  56.866  5.9806  -6.790684      8.471187 
1 1 1 -16 -11 28 o 34.959  5.6358  152.836    46.180   102.919    60.051   225.083    72.244   28.623  8.2160  42.284  7.3057  -13.66092      10.99437 
1 1 1 -16 -11 29 o 107.048 6.3347  1405.49    163.806  788.090    251.154  1862.54    216.093  78.193  13.739  123.088 7.2676  -44.89451      15.54266 
1 1 1 -16 -11 30 o 64.153  7.1005  510.219    108.674  392.263    164.791  600.994    144.563  54.962  12.623  69.331  8.7909  -14.36885      15.38233 
1 1 1 -16 -11 31 o 20.185  8.6498  -2.8722    75.693   -100.5693  114.481  73.009     100.893  20.466  9.5196  28.306  10.711  -7.839506      14.33015 
1 1 1 -16 -11 32 o 223.824 6.1625  6129.58    334.677  5831.23    414.560  6687.94    567.122  217.738 7.8467  232.164 10.067  -14.42680      12.76417 
1 1 1 -16 -11 33 o 43.020  4.5923  228.217    47.195   133.781    64.860   334.484    68.803   32.327  8.2434  52.026  5.5354  -19.69893      9.929494 
1 1 1 -16 -11 34 o 131.282 4.0326  2100.18    128.456  2029.81    183.023  2168.49    180.335  128.749 5.8586  133.132 5.5826  -4.382309      8.092507 
1 1 1 -16 -11 35 o 117.437 3.9124  1681.05    111.485  1696.52    158.886  1666.05    156.469  117.696 5.5637  116.641 5.5286  1.054558       7.843414 
1 1 1 -16 -11 36 o 34.324  5.1225  147.310    41.357   140.822    56.355   154.882    60.881   33.153  7.2109  34.761  7.4428  -1.607811      10.36304 
1 1 1 -16 -11 37 o 47.099  4.3084  273.295    48.692   297.604    68.332   248.221    69.401   48.861  5.8818  44.387  6.6485  4.474667       8.876837 
1 1 1 -16 -11 38 o 53.646  4.0980  353.732    52.938   299.905    72.461   415.350    77.528   48.925  6.2464  57.856  5.5924  -8.930443      8.384068 
1 1 1 -16 -11 39 o 112.708 3.9658  1553.13    108.456  1570.64    154.051  1535.92    152.717  112.902 5.6234  111.499 5.6634  1.403267       7.981061 
1 1 1 -16 -11 40 o 63.473  3.8335  494.490    58.763   533.031    82.974   455.708    83.233   65.585  5.2582  60.485  5.7401  5.100685       7.784474 
1 1 1 -16 -11 41 f 79.098  3.7495  765.517    71.961   781.471    101.326  749.281    102.217  79.419  5.2884  77.708  5.4558  1.711655       7.598183 
1 1 1 -16 -11 42 o 72.195  5.0182  645.832    87.360   562.293    109.528  791.911    144.834  66.727  6.8627  78.945  7.6573  -12.21857      10.28259 
1 1 1 -16 -11 43 f 61.280  5.1372  467.232    75.681   500.995    93.381   402.610    129.190  63.131  6.1752  54.960  10.058  8.171013       11.80273 
1 1 1 -16 -11 44 o 33.456  5.1616  141.559    40.553   109.106    54.678   181.236    60.458   28.839  7.6777  37.443  6.9092  -8.603533      10.32883 
1 1 1 -16 -11 45 f 16.606  6.6858  17.323     41.361   20.707     60.911   14.429     56.341   19.581  8.0277  18.466  7.6605  1.114063       11.09630 
1 1 1 -16 -11 46 o 80.500  3.9954  796.507    78.041   791.534    111.752  801.241    109.031  79.472  5.8361  80.040  5.6504  -0.5674362     8.123273 
1 1 1 -16 -11 47 o 67.355  4.4705  562.187    72.647   592.038    102.560  532.128    102.917  68.462  6.2426  64.706  6.6497  3.755936       9.120784 
1 1 1 -16 -11 48 o 61.136  7.9939  486.425    115.742  548.700    243.073  468.165    131.621  59.174  16.375  59.175  9.4874  -0.1506805E-02 18.92474 
1 1 1 -16 -11 49 o 44.644  9.7751  272.739    102.954  237.273    229.459  281.678    115.201  41.443  16.034  44.932  10.717  -3.489361      19.28595 
1 1 1 -16 -11 50 o 26.938  7.6754  96.213     52.599   97.012     69.850   95.167     79.939   27.379  9.0457  27.589  9.6675  -0.2104435     13.23948 
1 1 1 -16 -11 51 o 16.001  6.8450  2.6534     47.253   -32.1462   63.374   46.220     70.909   16.116  7.3439  22.504  8.8539  -6.387094      11.50328 
1 1 1 -16 -11 52 o 57.267  4.9244  412.764    67.761   355.352    96.141   469.434    95.519   51.661  7.9226  60.246  6.6448  -8.584919      10.34025 
1 1 1 -16 -11 53 o 11.485  5.5085  -59.0202   44.232   -30.5757   54.458   -114.1637  75.825   14.761  6.7573  14.365  6.9691  0.3953753      9.707186 
1 1 1 -16 -11 54 o 23.209  7.4241  70.444     47.256   76.079     55.938   56.399     88.316   24.207  8.0985  24.393  9.7877  -0.1859436     12.70379 
1 1 1 -16 -11 55 o 27.953  7.1523  106.050    48.710   80.102     56.570   180.446    95.790   24.632  8.1407  35.092  10.462  -10.46070      13.25587 
1 1 1 -16 -11 56 o 15.694  6.6498  7.0931     43.850   13.202     46.051   -52.2749   143.563  16.566  6.9034  23.332  10.786  -6.765682      12.80573 
1 1 1 -16 -11 57 o 26.765  7.5805  97.985     51.466   104.331    55.379   57.782     139.391  27.532  7.8861  27.506  11.761  0.2540588E-01  14.16053 
1 1 1 -16 -11 58 o 34.458  6.2457  156.969    50.298   184.466    59.540   88.438     93.994   37.135  6.8606  26.938  10.304  10.19706       12.37866 
1 1 1 -16 -11 59 o 49.187  5.1980  309.195    61.097   276.821    77.046   364.043    100.285  45.475  7.2241  51.556  8.2981  -6.081272      11.00213 
1 1 1 -16 -11 60 o 31.988  11.406  148.117    111.698  702.921    339.658  80.842     118.276  55.218  19.869  27.554  11.229  27.66459       22.82245 
1 1 1 -16 -11 61 o 21.286  9.2420  12.952     88.639   -389.4330  360.949  38.776     91.440   28.179  13.969  23.092  9.6834  5.086119       16.99726 
1 1 1 -16 -11 62 f 29.232  10.820  120.970    101.778  284.812    378.964  108.234    105.660  38.583  17.722  28.374  10.907  10.20883       20.80986 
1 1 1 -16 -10 1  o 43.410  4.8618  232.342    50.330   76.113     76.206   353.204    67.028   26.633  9.4295  53.586  5.2215  -26.95277      10.77864 
1 1 1 -16 -10 2  o 119.846 9.2483  1776.73    266.858  1500.82    388.243  2023.81    367.406  108.285 15.195  127.140 12.054  -18.85458      19.39522 
1 1 1 -16 -10 3  o 119.101 3.8234  1724.97    110.493  1383.47    167.449  1988.34    147.051  106.228 6.5281  127.790 4.7425  -21.56199      8.068933 
1 1 1 -16 -10 4  o 108.103 3.6592  1420.80    95.982   1400.41    145.603  1436.48    127.642  107.024 5.6267  108.612 4.8434  -1.587341      7.424169 
1 1 1 -16 -10 5  o 141.096 4.0600  2421.53    138.996  2179.29    206.710  2621.46    187.790  133.599 6.3767  146.674 5.2766  -13.07509      8.276764 
1 1 1 -16 -10 6  o 161.175 6.3815  3171.73    249.564  3171.73    249.564  0.0000     0.0000   161.175 6.3815  ?       ?       0.000000       6.381478 
1 1 1 -16 -10 7  o 191.706 10.296  4544.95    477.182  4544.95    477.182  0.0000     0.0000   191.706 10.296  ?       ?       0.000000       10.29622 
1 1 1 -16 -10 8  o 133.174 5.8683  2163.23    189.624  1784.90    292.059  2438.94    249.322  119.929 10.131  141.013 7.3119  -21.08396      12.49425 
1 1 1 -16 -10 9  o 82.931  5.4733  841.895    109.517  720.508    174.022  921.498    140.924  75.929  9.6648  86.586  6.7613  -10.65732      11.79504 
1 1 1 -16 -10 10 o 162.984 4.2666  3231.88    168.728  3384.67    242.528  3088.55    234.890  166.561 6.0010  159.096 6.0847  7.465332       8.546116 
1 1 1 -16 -10 11 o 35.666  3.8830  156.510    33.061   122.039    48.567   186.277    45.131   31.025  6.6514  38.807  4.9023  -7.782265      8.262787 
1 1 1 -16 -10 12 o 147.713 4.0785  2653.99    146.180  2707.81    209.458  2602.88    204.105  149.007 5.7933  146.096 5.7577  2.910828       8.167824 
1 1 1 -16 -10 13 o 110.502 4.4630  1486.01    119.664  1511.74    147.118  1435.69    205.703  111.370 5.4442  107.978 7.9063  3.392876       9.599422 
1 1 1 -16 -10 14 o 161.022 4.3344  3154.82    169.346  3217.12    243.615  3096.57    235.571  162.358 6.1839  159.301 6.0945  3.057388       8.682424 
1 1 1 -16 -10 15 o 42.802  4.4674  225.358    45.712   283.119    73.296   188.590    58.479   47.720  6.4992  38.795  6.4381  8.925034       9.148115 
1 1 1 -16 -10 16 o 172.413 4.6115  3618.37    192.919  3971.26    277.112  3286.49    268.737  180.361 6.3321  164.006 6.7531  16.35504       9.257450 
1 1 1 -16 -10 17 o 80.110  3.8070  780.357    74.000   953.084    110.601  640.368    99.570   88.298  5.1851  72.244  5.7271  16.05383       7.725563 
1 1 1 -16 -10 18 o 127.076 5.3920  1968.00    166.255  0.0000     0.0000   1968.00    166.255  ?       ?       127.076 5.3920  0.000000       5.391988 
1 1 1 -16 -10 19 o 202.335 6.8691  5003.43    337.239  0.0000     0.0000   5003.43    337.239  ?       ?       202.335 6.8691  0.000000       6.869144 
1 1 1 -16 -10 20 f 163.545 6.0230  3263.43    239.011  0.0000     0.0000   3263.43    239.011  ?       ?       163.545 6.0230  0.000000       6.023027 
1 1 1 -16 -10 21 o 150.063 5.8901  2746.95    214.467  2973.67    291.997  2481.37    316.030  155.829 7.7226  141.775 9.2372  14.05373       12.04017 
1 1 1 -16 -10 22 o 96.170  4.9615  1129.38    115.380  1088.56    150.951  1186.75    178.939  94.164  6.6494  98.175  7.5702  -4.010605      10.07584 
1 1 1 -16 -10 23 o 121.151 5.2551  1788.57    154.482  1756.59    204.601  1830.98    235.605  119.645 7.0792  121.972 8.0053  -2.326843      10.68649 
1 1 1 -16 -10 24 o 108.510 3.7388  1431.72    98.440   1421.74    139.972  1441.48    138.470  108.005 5.3412  108.761 5.2471  -0.7557983     7.487324 
1 1 1 -16 -10 25 o 52.900  4.0867  342.448    52.049   344.785    73.600   340.110    73.617   52.846  5.8374  52.475  5.8830  0.3703613      8.287636 
1 1 1 -16 -10 26 o 197.969 4.8327  4773.38    232.142  4811.89    330.682  4735.95    325.965  198.371 6.8702  196.810 6.8259  1.561508       9.684638 
1 1 1 -16 -10 27 o 103.450 3.7409  1301.47    93.900   1363.30    133.251  1240.48    132.343  105.761 5.1925  100.718 5.4355  5.042778       7.517144 
1 1 1 -16 -10 28 o 105.716 3.8029  1359.35    97.548   1283.73    138.162  1434.51    137.745  102.434 5.5798  108.476 5.2333  -6.042503      7.650005 
1 1 1 -16 -10 29 o 77.140  5.8432  730.562    108.557  815.840    180.767  682.458    135.765  80.832  9.3916  74.222  7.6482  6.610703       12.11185 
1 1 1 -16 -10 30 o 141.930 6.0935  2461.50    209.849  2473.59    328.948  2453.20    272.501  141.206 9.6589  141.111 7.9915  0.9483337E-01  12.53628 
1 1 1 -16 -10 31 o 185.875 6.9324  4233.08    312.658  3935.73    475.187  4460.08    415.191  177.560 11.085  190.156 8.9985  -12.59665      14.27758 
1 1 1 -16 -10 32 o 47.500  4.3899  277.209    50.023   297.128    69.287   255.523    72.295   48.944  5.9572  45.174  6.8070  3.769878       9.045609 
1 1 1 -16 -10 33 o 159.686 4.4012  3108.17    170.532  2969.50    242.959  3242.82    239.418  155.670 6.4323  162.767 6.0621  -7.096848      8.838753 
1 1 1 -16 -10 34 o 150.414 4.2387  2758.13    154.698  2699.74    220.515  2814.71    217.076  148.423 6.1231  151.605 5.9011  -3.181549      8.503866 
1 1 1 -16 -10 35 o 114.626 3.9070  1601.49    108.665  1648.47    154.536  1555.54    152.831  116.033 5.4889  112.696 5.5891  3.337273       7.833622 
1 1 1 -16 -10 36 o 93.105  3.7368  1056.76    84.419   956.922    119.510  1156.19    119.264  88.159  5.6162  97.060  5.0818  -8.900665      7.574041 
1 1 1 -16 -10 37 o 144.236 4.2239  2541.61    147.825  2566.01    210.512  2517.88    207.632  144.415 6.0076  143.062 5.9814  1.352020       8.477533 
1 1 1 -16 -10 38 o 109.739 3.8751  1470.72    103.183  1470.81    146.210  1470.64    145.637  109.233 5.5345  109.234 5.5126  -0.4501343E-03 7.811475 
1 1 1 -16 -10 39 o 99.580  3.8167  1211.74    92.220   1202.30    130.445  1221.17    130.394  98.674  5.4697  99.462  5.4235  -0.7880402     7.702747 
1 1 1 -16 -10 40 o 79.913  3.7791  780.888    73.277   791.625    103.014  769.889    104.257  79.979  5.3390  78.826  5.4851  1.153282       7.654465 
1 1 1 -16 -10 41 o 32.590  6.4750  136.493    49.397   114.326    57.996   195.068    94.276   29.617  7.9177  38.243  10.034  -8.625277      12.78182 
1 1 1 -16 -10 42 o 36.502  6.1984  170.005    52.935   185.355    64.590   138.603    92.381   37.839  7.2995  32.675  10.373  5.163609       12.68351 
1 1 1 -16 -10 43 o 33.295  6.8497  143.685    53.491   161.254    64.553   105.191    95.553   35.068  7.7891  29.718  10.555  5.349649       13.11774 
1 1 1 -16 -10 44 o 59.334  4.3092  435.293    61.616   431.065    83.890   440.246    90.794   58.537  5.9907  59.001  6.4470  -0.4636040     8.800714 
1 1 1 -16 -10 45 o 64.436  4.5920  514.551    71.324   520.767    100.761  508.309    100.975  64.134  6.5677  63.312  6.6735  0.8217087      9.363224 
1 1 1 -16 -10 46 o 57.662  4.9042  414.107    67.964   446.229    94.112   379.097    98.252   59.248  6.6621  54.142  7.6956  5.105587       10.17865 
1 1 1 -16 -10 47 o 77.168  5.7262  746.570    106.453  443.475    246.859  815.809    117.987  53.187  16.963  80.520  6.0839  -27.33257      18.02140 
1 1 1 -16 -10 48 o 55.091  8.7142  401.263    112.610  551.142    219.966  348.030    131.092  60.369  15.065  50.016  11.092  10.35295       18.70827 
1 1 1 -16 -10 49 o 39.658  10.523  219.145    102.933  215.866    208.048  220.208    118.445  39.923  15.315  39.445  11.602  0.4773102      19.21338 
1 1 1 -16 -10 50 o 51.442  5.2292  333.573    64.363   284.117    87.682   391.355    94.776   46.238  8.1111  54.845  7.3035  -8.607288      10.91468 
1 1 1 -16 -10 51 o 23.710  7.7220  71.854     50.970   141.014    68.646   -13.1271   76.094   32.142  8.6232  18.902  8.3726  13.23932       12.01912 
1 1 1 -16 -10 52 o 20.077  7.5269  42.347     49.567   87.449     66.740   -13.1329   74.021   26.047  8.8454  18.578  8.2418  7.468899       12.08999 
1 1 1 -16 -10 53 o 21.011  7.8857  47.554     54.434   -92.7769   74.055   212.495    80.286   14.849  7.1236  39.243  8.6635  -24.39378      11.21614 
1 1 1 -16 -10 54 o 69.539  4.6893  608.199    78.660   590.641    108.151  627.919    114.613  67.300  6.7125  69.265  6.9118  -1.965187      9.634881 
1 1 1 -16 -10 55 o 25.736  7.8886  89.629     53.928   126.982    67.950   26.064     88.641   30.129  8.7663  22.275  9.4472  7.853590       12.88791 
1 1 1 -16 -10 56 o 54.274  6.1419  382.796    79.459   397.319    90.395   333.433    166.655  54.812  6.9532  44.791  13.891  10.02024       15.53386 
1 1 1 -16 -10 57 o 33.163  7.3572  149.734    57.653   137.245    62.610   219.369    147.837  31.419  8.1450  37.301  13.141  -5.882242      15.46088 
1 1 1 -16 -10 58 o 19.854  6.9227  47.855     40.967   11.175     47.722   150.599    79.871   16.628  6.9852  32.442  9.5228  -15.81406      11.81008 
1 1 1 -16 -10 59 o 16.088  6.4509  19.244     38.335   30.478     44.139   -15.2469   77.339   18.055  7.0193  18.642  8.3372  -0.5870838     10.89865 
1 1 1 -16 -10 60 o 55.402  10.067  442.453    130.341  337.510    391.249  455.554    138.238  41.637  18.677  55.760  10.605  -14.12292      21.47806 
1 1 1 -16 -10 61 o 22.125  9.7154  9.5339     100.380  15.785     369.489  9.0358     104.303  34.039  16.215  22.430  9.8751  11.60880       18.98559 
1 1 1 -16 -9  1  o 122.352 5.1914  1823.98    154.120  1765.36    227.147  1873.98    209.801  119.789 7.8585  123.603 7.0244  -3.813736      10.54034 
1 1 1 -16 -9  2  o 186.269 4.7098  4224.09    212.867  3694.44    313.935  4674.85    289.614  173.746 7.4467  195.725 6.0983  -21.97896      9.625074 
1 1 1 -16 -9  3  o 153.344 4.6898  2862.58    174.497  2478.76    311.264  3038.50    210.725  141.743 9.0983  157.884 5.5006  -16.14038      10.63189 
1 1 1 -16 -9  4  o 253.485 5.7379  7835.34    352.915  7359.67    511.395  8267.86    487.646  244.892 8.6063  259.848 7.7343  -14.95529      11.57100 
1 1 1 -16 -9  5  o 78.366  5.4750  752.114    103.452  752.114    103.452  0.0000     0.0000   78.366  5.4750  ?       ?       0.000000       5.475008 
1 1 1 -16 -9  6  o 141.673 5.6725  2447.15    194.996  2447.15    194.996  0.0000     0.0000   141.673 5.6725  ?       ?       0.000000       5.672503 
1 1 1 -16 -9  7  o 175.286 6.5705  3752.43    279.452  3337.23    420.878  4079.80    373.721  164.104 10.627  182.379 8.4452  -18.27484      13.57403 
1 1 1 -16 -9  8  o 121.209 5.6702  1791.25    166.763  1461.04    256.581  2032.75    219.429  108.503 9.8532  128.760 7.0502  -20.25685      12.11575 
1 1 1 -16 -9  9  f 35.600  6.7393  159.867    56.082   328.708    110.388  101.126    65.111   50.953  9.2703  28.606  8.6473  22.34687       12.67732 
1 1 1 -16 -9  10 o 117.575 3.7553  1680.77    107.133  1839.00    154.456  1534.07    148.725  122.864 5.1810  112.191 5.4634  10.67341       7.529381 
1 1 1 -16 -9  11 o 232.210 5.3426  6570.59    301.018  6907.20    429.389  6245.28    422.113  237.592 7.4483  225.855 7.7026  11.73756       10.71476 
1 1 1 -16 -9  12 o 15.313  5.7643  20.826     29.128   50.603     38.432   -19.3662   44.650   20.688  6.7033  14.179  6.3385  6.509400       9.225508 
1 1 1 -16 -9  13 o 17.915  6.3475  33.878     34.538   26.018     66.041   36.837     40.521   21.102  8.4651  19.018  6.8603  2.083942       10.89594 
1 1 1 -16 -9  14 o 244.925 5.6687  7313.92    336.886  8033.73    480.005  6615.17    472.931  256.154 7.7229  232.250 8.3922  23.90433       11.40495 
1 1 1 -16 -9  15 o 122.498 3.9735  1824.95    118.104  2048.92    171.232  1621.72    163.113  129.660 5.4427  115.166 5.8564  14.49369       7.995059 
1 1 1 -16 -9  16 o 32.225  5.2927  129.812    39.947   158.064    62.873   110.688    51.730   35.277  7.5719  29.506  7.2722  5.770769       10.49846 
1 1 1 -16 -9  17 o 110.352 5.2050  1483.56    139.369  0.0000     0.0000   1483.56    139.369  ?       ?       110.352 5.2050  0.000000       5.205015 
1 1 1 -16 -9  18 o 172.009 6.2097  3610.89    259.171  0.0000     0.0000   3610.89    259.171  ?       ?       172.009 6.2097  0.000000       6.209698 
1 1 1 -16 -9  19 o 134.327 5.5499  2199.50    180.891  0.0000     0.0000   2199.50    180.891  ?       ?       134.327 5.5499  0.000000       5.549928 
1 1 1 -16 -9  20 o 87.786  3.7551  936.980    79.985   958.417    116.576  917.911    109.946  88.512  5.4546  86.641  5.2548  1.871361       7.573982 
1 1 1 -16 -9  21 o 255.275 7.9569  7983.64    492.854  7689.60    677.989  8313.14    717.707  249.338 11.207  259.158 11.414  -9.819611      15.99544 
1 1 1 -16 -9  22 o 140.576 5.5869  2409.20    190.568  2334.70    253.471  2506.06    289.022  137.897 7.6049  142.704 8.3839  -4.806915      11.31915 
1 1 1 -16 -9  23 o 191.065 6.6495  4459.79    308.272  4659.86    418.270  4221.88    456.108  194.783 8.8500  184.763 10.214  10.02039       13.51439 
1 1 1 -16 -9  24 o 137.402 3.9649  2296.19    132.189  2424.60    188.294  2171.41    185.621  141.028 5.5026  133.434 5.7332  7.593842       7.946559 
1 1 1 -16 -9  25 o 207.031 5.0335  5221.40    252.854  5171.87    359.673  5269.79    355.542  205.605 7.2096  207.579 7.0590  -1.973175      10.08997 
1 1 1 -16 -9  26 o 67.116  4.2164  550.245    68.315   606.137    107.040  511.832    88.738   70.168  6.3560  64.528  5.7271  5.639793       8.555615 
1 1 1 -16 -9  27 o 143.248 4.1917  2496.92    145.696  2386.57    206.893  2605.47    205.207  139.816 6.0985  146.132 5.7874  -6.316757      8.407493 
1 1 1 -16 -9  28 o 127.082 3.9669  1964.71    122.320  1873.17    173.430  2055.32    172.545  123.897 5.7690  129.818 5.4778  -5.921303      7.955340 
1 1 1 -16 -9  29 o 17.840  7.6463  -2.9228    59.165   30.081     110.719  -16.1139   69.997   26.328  10.812  18.560  8.1323  7.768206       13.52901 
1 1 1 -16 -9  30 o 197.718 7.1570  4789.37    343.355  4478.38    518.195  5032.76    458.433  189.496 11.322  201.984 9.3540  -12.48724      14.68611 
1 1 1 -16 -9  31 o 139.649 6.0421  2383.64    204.735  2410.21    323.349  2365.86    264.511  139.321 9.6241  138.547 7.9011  0.7745209      12.45193 
1 1 1 -16 -9  32 o 91.821  3.8216  1026.17    85.144   1020.88    120.985  1031.35    119.848  91.267  5.4888  91.749  5.4074  -0.4820557     7.705034 
1 1 1 -16 -9  33 o 169.542 4.5233  3504.62    186.077  3347.71    264.587  3658.17    261.742  165.244 6.5990  172.832 6.2415  -7.587402      9.083102 
1 1 1 -16 -9  34 o 190.488 4.7839  4429.52    221.114  4483.70    315.047  4376.91    310.410  191.049 6.7962  188.767 6.7771  2.282333       9.597789 
1 1 1 -16 -9  35 o 114.075 3.8948  1586.11    107.804  1562.77    152.783  1609.25    152.134  112.958 5.5743  114.646 5.4690  -1.687813      7.809164 
1 1 1 -16 -9  36 o 62.193  3.9117  473.597    58.728   458.943    82.123   488.936    84.019   60.921  5.6190  62.907  5.5617  -1.986431      7.906056 
1 1 1 -16 -9  37 o 84.027  3.8386  861.585    78.262   890.286    109.543  831.662    111.852  85.024  5.3369  82.091  5.6498  2.932777       7.771920 
1 1 1 -16 -9  38 o 41.634  4.6008  214.792    45.701   264.220    63.349   161.150    65.994   45.975  5.8084  35.293  7.9031  10.68187       9.808010 
1 1 1 -16 -9  39 o 72.867  3.9364  651.023    69.340   703.480    96.078   593.999    100.173  75.444  5.2818  69.094  6.0357  6.350044       8.020406 
1 1 1 -16 -9  40 o 105.945 4.0007  1373.92    102.845  1259.33    145.095  1489.61    145.796  100.721 5.9636  109.893 5.4678  -9.172356      8.090776 
1 1 1 -16 -9  41 o 40.607  6.0078  208.577    57.408   226.058    68.901   168.893    103.815  42.023  7.0037  35.769  10.942  6.254631       12.99168 
1 1 1 -16 -9  42 o 20.684  7.1386  49.342     43.508   95.979     50.633   -82.2755   85.060   27.184  7.4536  17.093  8.0329  10.09101       10.95824 
1 1 1 -16 -9  43 o 48.464  5.5825  294.889    64.447   350.494    77.898   174.268    114.730  52.691  6.2123  36.176  11.567  16.51449       13.12995 
1 1 1 -16 -9  44 o 45.310  5.5296  258.318    59.531   268.004    83.280   248.196    85.129   45.392  7.8450  43.452  8.3781  1.940880       11.47763 
1 1 1 -16 -9  45 o 40.516  6.1805  209.359    58.836   180.131    79.998   243.796    86.835   36.680  9.0453  42.919  8.6373  -6.239540      12.50686 
1 1 1 -16 -9  46 o 35.707  6.7626  165.218    56.446   162.719    76.123   168.270    84.129   34.846  8.9547  35.319  9.5761  -0.4727287     13.11062 
1 1 1 -16 -9  47 o 34.230  10.480  158.287    95.209   255.256    215.974  134.897    106.072  42.730  15.772  32.369  11.148  10.36108       19.31392 
1 1 1 -16 -9  48 o 64.971  7.7084  546.427    119.150  837.330    249.090  460.117    135.679  75.768  14.067  58.374  9.9351  17.39412       17.22154 
1 1 1 -16 -9  49 o 25.862  7.7908  87.444     52.918   97.030     71.950   76.149     78.101   27.523  9.1849  25.820  9.4919  1.702320       13.20829 
1 1 1 -16 -9  50 o 67.589  4.5366  569.057    73.968   424.013    103.685  719.380    105.555  56.885  7.7106  75.424  5.8125  -18.53890      9.656038 
1 1 1 -16 -9  51 o 36.504  6.6175  174.520    56.455   106.358    76.954   253.962    83.078   28.412  9.4988  43.492  8.1726  -15.07954      12.53070 
1 1 1 -16 -9  52 o 28.529  7.5784  109.785    53.348   63.709     72.108   165.499    79.293   24.003  9.0620  34.445  9.2790  -10.44214      12.96993 
1 1 1 -16 -9  53 o 40.517  5.9792  212.799    57.016   171.628    79.486   256.435    81.831   34.951  9.2344  43.527  8.0443  -8.576591      12.24683 
1 1 1 -16 -9  54 o 50.075  5.5677  321.579    66.503   323.862    91.661   319.040    96.635   48.928  7.9972  48.196  8.5777  0.7312889      11.72742 
1 1 1 -16 -9  55 o 15.925  6.8516  2.5193     47.837   -17.2758   63.737   28.053     72.389   16.832  7.5452  20.882  8.6746  -4.050110      11.49694 
1 1 1 -16 -9  56 o 61.307  6.0084  485.913    88.230   436.664    105.803  598.353    159.867  56.875  7.8784  64.273  10.622  -7.398472      13.22478 
1 1 1 -16 -9  57 o 28.943  8.9530  116.781    69.281   102.162    79.058   165.158    143.821  27.577  9.6168  33.770  12.786  -6.193439      15.99903 
1 1 1 -16 -9  58 o 52.096  8.9056  376.702    108.529  0.0000     0.0000   376.702    108.529  ?       ?       52.096  8.9056  0.000000       8.905621 
1 1 1 -16 -9  59 o 16.989  6.7626  23.233     41.816   -0.2607    48.954   86.638     80.423   15.857  6.8765  26.187  9.6312  -10.33006      11.83410 
1 1 1 -16 -9  60 o 37.444  11.731  216.797    118.521  581.483    381.840  177.915    124.679  48.471  20.011  34.260  12.068  14.21112       23.36897 
1 1 1 -16 -9  61 o 29.744  11.357  121.565    114.077  733.448    383.300  62.100     119.492  52.162  20.565  26.259  11.043  25.90259       23.34291 
1 1 1 -16 -8  1  o 11.095  4.7763  -2.2942    23.273   28.183     31.372   -39.5967   34.707   16.699  6.0344  10.776  5.0847  5.922963       7.890990 
1 1 1 -16 -8  2  o 73.588  3.4715  658.201    61.985   551.301    94.243   739.702    82.288   66.981  5.8576  77.847  4.3742  -10.86546      7.310610 
1 1 1 -16 -8  3  o 123.312 3.8120  1848.91    114.056  1937.97    170.895  1777.37    153.158  126.086 5.5859  120.785 5.2259  5.301399       7.649383 
1 1 1 -16 -8  4  o 197.916 6.6689  4784.56    320.259  4784.56    320.259  0.0000     0.0000   197.916 6.6689  ?       ?       0.000000       6.668918 
1 1 1 -16 -8  5  o 326.492 9.7443  13120.03   771.945  13120.03   771.945  0.0000     0.0000   326.492 9.7443  ?       ?       0.000000       9.744270 
1 1 1 -16 -8  6  o 195.382 10.417  4720.71    492.046  4720.71    492.046  0.0000     0.0000   195.382 10.417  ?       ?       0.000000       10.41666 
1 1 1 -16 -8  7  o 208.728 7.2836  5328.44    368.887  4853.75    549.007  5719.14    498.073  197.721 11.493  215.633 9.5195  -17.91174      14.92359 
1 1 1 -16 -8  8  o 196.937 6.8224  4738.81    326.010  4898.23    488.557  4610.85    437.718  199.127 10.145  193.670 9.3147  5.456497       13.77278 
1 1 1 -16 -8  9  o 266.078 5.9835  8636.27    386.301  8918.57    549.872  8361.15    542.821  269.679 8.4033  261.060 8.5694  8.619232       12.00214 
1 1 1 -16 -8  10 o 107.618 3.6275  1407.93    94.723   1513.40    136.019  1308.62    131.990  111.473 5.0288  103.505 5.2730  7.968193       7.286520 
1 1 1 -16 -8  11 o 193.913 4.7920  4577.98    225.471  4889.12    321.868  4278.18    315.943  200.074 6.6302  187.093 6.9597  12.98131       9.612279 
1 1 1 -16 -8  12 o 288.391 6.1812  10149.25   432.534  10224.05   614.739  10075.92   608.696  288.599 8.7787  286.509 8.7558  2.089447       12.39884 
1 1 1 -16 -8  13 f 194.319 4.8164  4597.34    227.094  5055.91    324.585  4157.62    317.841  203.469 6.5745  184.409 7.1033  19.05989       9.678948 
1 1 1 -16 -8  14 o 122.097 3.8889  1812.80    115.212  2029.94    166.849  1614.90    159.283  129.072 5.3275  115.087 5.7040  13.98527       7.805002 
1 1 1 -16 -8  15 o 280.757 6.2847  9620.83    428.138  10566.70   608.467  8693.32    602.532  293.489 8.5444  265.918 9.3383  27.57019       12.65744 
1 1 1 -16 -8  16 o 198.829 6.7035  4829.10    323.405  0.0000     0.0000   4829.10    323.405  ?       ?       198.829 6.7035  0.000000       6.703511 
1 1 1 -16 -8  17 o 200.492 6.7692  4910.82    329.303  0.0000     0.0000   4910.82    329.303  ?       ?       200.492 6.7692  0.000000       6.769160 
1 1 1 -16 -8  18 o 198.421 6.7879  4810.10    326.801  0.0000     0.0000   4810.10    326.801  ?       ?       198.421 6.7879  0.000000       6.787851 
1 1 1 -16 -8  19 o 335.533 7.1746  13765.90   584.115  14826.33   828.899  12719.85   823.256  347.024 9.8441  321.072 10.567  25.95239       14.44221 
1 1 1 -16 -8  20 o 192.333 4.6939  4503.00    219.055  4388.51    311.206  4615.44    308.396  189.529 6.7672  194.413 6.5376  -4.883667      9.409306 
1 1 1 -16 -8  21 o 100.514 5.0229  1230.45    122.502  1116.35    160.096  1391.63    190.273  95.321  6.9703  106.401 7.4164  -11.07941      10.17779 
1 1 1 -16 -8  22 o 73.628  4.9700  663.165    88.270   652.973    112.703  679.338    141.970  72.851  6.4422  74.040  8.0313  -1.189331      10.29579 
1 1 1 -16 -8  23 o 10.776  5.1768  -58.2756   39.409   -42.4146   46.530   -98.5303   74.126   13.051  6.0700  15.158  7.2325  -2.107186      9.442117 
1 1 1 -16 -8  24 o 133.123 4.0197  2155.50    129.842  2312.56    184.869  2002.60    182.403  137.732 5.5318  128.131 5.8670  9.600601       8.063637 
1 1 1 -16 -8  25 o 151.642 4.2770  2797.99    157.370  2932.76    224.020  2666.69    221.119  155.039 5.9550  147.809 6.1654  7.229980       8.571722 
1 1 1 -16 -8  26 o 299.594 6.5303  10965.35   474.712  10801.20   673.669  11127.27   669.043  296.257 9.3716  300.788 9.1671  -4.530518      13.10959 
1 1 1 -16 -8  27 o 180.529 4.5561  3967.70    199.576  3881.65    283.624  4052.10    280.882  178.229 6.5584  182.140 6.3556  -3.910965      9.132712 
1 1 1 -16 -8  28 o 125.729 3.9532  1923.01    120.600  1935.50    171.277  1910.74    169.840  125.965 5.6039  125.158 5.5927  0.8069305      7.917131 
1 1 1 -16 -8  29 o 289.766 9.1978  10342.82   646.691  10003.25   948.513  10637.77   884.010  282.282 13.848  292.023 12.476  -9.740601      18.63936 
1 1 1 -16 -8  30 o 48.765  7.1426  297.294    82.008   432.670    140.844  227.856    100.871  58.309  10.333  42.111  10.018  16.19798       14.39206 
1 1 1 -16 -8  31 o 175.824 6.7444  3785.35    287.730  3404.77    439.480  4070.86    380.654  165.143 11.031  181.802 8.6291  -16.65883      14.00529 
1 1 1 -16 -8  32 o 85.413  3.7930  887.903    78.610   922.739    110.870  852.686    111.475  86.784  5.2904  83.372  5.5421  3.412178       7.661774 
1 1 1 -16 -8  33 o 144.549 5.5333  2553.87    194.074  2463.37    242.202  2716.21    324.389  141.639 7.0474  147.885 9.0842  -6.246353      11.49733 
1 1 1 -16 -8  34 o 170.697 4.5236  3554.85    187.359  3547.88    267.060  3561.61    262.919  170.033 6.4731  170.395 6.3592  -0.3624573     9.074141 
1 1 1 -16 -8  35 o 149.359 4.3090  2722.06    156.160  2659.87    223.236  2781.66    218.526  147.176 6.2512  150.584 5.9808  -3.408203      8.651448 
1 1 1 -16 -8  36 o 146.065 4.2803  2605.16    151.700  2545.58    216.268  2662.86    212.846  143.879 6.1948  147.230 5.9580  -3.351089      8.595024 
1 1 1 -16 -8  37 o 33.645  5.9415  143.241    46.730   107.268    63.797   184.886    68.643   29.030  8.5078  37.935  7.7200  -8.905432      11.48831 
1 1 1 -16 -8  38 o 13.824  5.8717  1.0461     34.324   32.840     41.674   -66.0138   60.524   18.534  6.9108  14.243  6.7188  4.290785       9.638574 
1 1 1 -16 -8  39 o 29.066  6.2515  108.386    42.780   99.338     55.172   122.030    67.747   27.792  7.8408  30.700  8.6981  -2.907942      11.71046 
1 1 1 -16 -8  40 o 25.601  6.7387  84.491     42.431   90.793     54.751   75.013     67.140   26.656  7.9008  25.451  8.8630  1.205692       11.87334 
1 1 1 -16 -8  41 o 57.640  5.3340  413.508    73.754   467.984    90.127   303.067    128.327  61.101  6.1633  47.260  11.336  13.84130       12.90349 
1 1 1 -16 -8  42 o 55.825  5.3197  388.586    71.185   448.128    88.106   276.651    120.803  59.719  6.1692  45.073  11.116  14.64606       12.71276 
1 1 1 -16 -8  43 f 25.360  7.3076  83.011     47.424   82.645     55.381   84.018     91.825   25.543  8.0217  27.728  10.274  -2.185558      13.03494 
1 1 1 -16 -8  44 o 54.685  5.1875  373.316    68.009   378.217    95.797   368.337    96.566   54.253  7.4758  53.453  7.6648  0.8003464      10.70683 
1 1 1 -16 -8  45 o 97.624  4.2751  1172.89    101.267  1078.19    142.311  1270.04    144.133  92.602  6.3724  100.772 5.9206  -8.170158      8.698363 
1 1 1 -16 -8  46 o 55.037  5.0893  378.311    67.194   375.165    92.617   381.807    97.634   54.035  7.2467  54.367  7.6097  -0.3321724     10.50820 
1 1 1 -16 -8  47 o 59.525  8.0591  460.913    113.407  592.541    240.002  423.075    128.679  62.281  15.844  56.116  9.8077  6.165585       18.63375 
1 1 1 -16 -8  48 o 29.886  10.723  109.653    98.870   58.086     217.474  123.088    111.005  33.534  14.518  31.463  11.354  2.070885       18.43030 
1 1 1 -16 -8  49 o 50.470  5.5772  322.279    67.158   300.762    93.504   345.207    96.520   47.541  8.4136  51.192  8.0351  -3.651024      11.63405 
1 1 1 -16 -8  50 f 26.948  7.4347  96.536     50.196   84.363     70.840   108.811    71.137   26.069  9.1025  28.619  9.1039  -2.549690      12.87388 
1 1 1 -16 -8  51 o 80.899  4.2270  813.221    82.686   873.062    119.066  757.479    114.915  82.882  5.9604  77.031  6.2007  5.851028       8.600898 
1 1 1 -16 -8  52 o 42.937  5.4692  235.672    55.686   255.318    80.785   217.885    76.866   43.586  7.9309  40.068  8.1829  3.517632       11.39559 
1 1 1 -16 -8  53 o 27.427  7.8920  102.133    55.348   79.629     74.057   130.608    83.303   25.458  9.2604  30.630  9.8631  -5.171518      13.52911 
1 1 1 -16 -8  54 o 30.774  7.6616  129.522    56.988   158.634    76.673   93.589     85.183   33.496  9.1670  27.117  9.9214  6.378338       13.50808 
1 1 1 -16 -8  55 o 56.135  5.1907  401.309    69.901   371.022    97.782   432.964    99.965   52.364  7.9455  56.998  7.4029  -4.634300      10.85971 
1 1 1 -16 -8  56 o 48.550  6.7704  311.113    77.587   225.938    91.319   532.168    147.115  39.687  9.5900  60.845  10.334  -21.15871      14.09851 
1 1 1 -16 -8  57 o 26.190  8.5524  92.448     62.507   93.381     72.123   89.635     125.295  26.541  9.1892  28.591  11.592  -2.050425      14.79280 
1 1 1 -16 -8  58 o 13.511  6.2192  -29.7450   47.003   31.247     61.317   -116.6523  73.193   20.013  8.1112  13.854  6.7495  6.158460       10.55215 
1 1 1 -16 -8  59 o 44.466  9.1844  279.250    95.812   632.557    382.132  255.549    98.974   50.951  20.389  42.035  9.8721  8.916107       22.65359 
1 1 1 -16 -8  60 o 47.181  10.431  328.436    116.246  147.235    389.384  346.165    121.801  37.222  17.394  48.266  10.683  -11.04416      20.41296 
1 1 1 -16 -8  61 o 46.622  11.368  337.021    127.443  419.040    394.345  327.455    134.670  42.018  18.806  45.276  12.047  -3.257954      22.33423 
1 1 1 -16 -7  1  o 169.359 4.9887  3493.03    205.003  2962.89    363.335  3740.63    248.302  154.869 9.7182  175.135 5.8431  -20.26654      11.33954 
1 1 1 -16 -7  2  o 170.124 4.3226  3521.23    178.431  3222.12    255.802  3804.68    249.014  162.449 6.4897  176.637 5.8100  -14.18721      8.710473 
1 1 1 -16 -7  3  f 180.454 6.4326  3975.39    281.655  3975.39    281.655  0.0000     0.0000   180.454 6.4326  ?       ?       0.000000       6.432600 
1 1 1 -16 -7  4  f 162.166 5.9872  3207.78    235.584  3207.78    235.584  0.0000     0.0000   162.166 5.9872  ?       ?       0.000000       5.987166 
1 1 1 -16 -7  5  o 125.705 7.0039  1937.16    212.779  1937.16    212.779  0.0000     0.0000   125.705 7.0039  ?       ?       0.000000       7.003911 
1 1 1 -16 -7  6  o 177.754 6.6722  3859.14    287.775  3290.65    433.840  4305.80    384.553  162.841 11.045  187.379 8.4581  -24.53770      13.91181 
1 1 1 -16 -7  7  o 155.917 6.0936  2965.93    230.532  2895.33    353.270  3018.29    304.241  153.141 9.5548  156.766 8.0253  -3.624969      12.47798 
1 1 1 -16 -7  8  o 179.011 6.3236  3911.34    274.667  4642.31    417.105  3351.69    364.970  194.463 8.8398  164.921 9.1565  29.54210       12.72729 
1 1 1 -16 -7  9  o 233.250 5.3743  6629.52    304.166  6828.52    432.851  6435.40    427.510  236.222 7.5519  229.287 7.6843  6.935455       10.77398 
1 1 1 -16 -7  10 o 209.331 5.0458  5336.80    256.288  5700.79    365.091  4983.17    359.858  215.974 6.9668  201.841 7.3478  14.13370       10.12557 
1 1 1 -16 -7  11 f 236.936 5.3991  6841.00    310.394  6938.70    441.514  6745.52    436.455  238.094 7.6425  234.750 7.6625  3.343185       10.82224 
1 1 1 -16 -7  12 o 239.551 5.4872  6993.85    318.945  7279.17    453.746  6715.21    448.413  243.858 7.6685  234.159 7.8923  9.698502       11.00431 
1 1 1 -16 -7  13 o 218.757 5.2111  5829.72    276.599  6430.33    394.556  5249.30    387.871  229.348 7.0901  207.073 7.7197  22.27510       10.48154 
1 1 1 -16 -7  14 o 249.943 5.6993  7616.51    345.641  8458.14    492.290  6798.25    485.404  262.852 7.7187  235.429 8.4973  27.42319       11.47964 
1 1 1 -16 -7  15 f 177.159 6.2357  3830.16    268.047  0.0000     0.0000   3830.16    268.047  ?       ?       177.159 6.2357  0.000000       6.235703 
1 1 1 -16 -7  16 o 151.504 5.8101  2798.98    213.584  0.0000     0.0000   2798.98    213.584  ?       ?       151.504 5.8101  0.000000       5.810056 
1 1 1 -16 -7  17 o 169.278 6.1757  3496.52    253.661  0.0000     0.0000   3496.52    253.661  ?       ?       169.278 6.1757  0.000000       6.175742 
1 1 1 -16 -7  18 o 129.530 4.0480  2040.56    127.225  2336.93    186.183  1780.95    174.255  138.468 5.5415  120.838 5.9432  17.63042       8.125873 
1 1 1 -16 -7  19 o 158.751 4.2820  3066.01    164.940  3242.68    235.481  2895.84    231.102  163.051 5.9521  154.052 6.1826  8.999100       8.582067 
1 1 1 -16 -7  20 o 189.067 6.6064  4365.41    303.069  4475.44    410.592  4233.70    449.217  190.934 8.8627  185.140 10.037  5.793961       13.39009 
1 1 1 -16 -7  21 o 161.871 6.0930  3196.80    239.312  3326.90    320.593  3033.09    359.640  164.794 8.0177  156.768 9.4995  8.025696       12.43077 
1 1 1 -16 -7  22 o 165.363 6.1302  3336.59    245.967  3390.52    330.239  3269.40    368.619  166.323 8.1830  162.810 9.3706  3.512695       12.44065 
1 1 1 -16 -7  23 o 264.959 5.8672  8562.36    377.203  8504.93    535.027  8619.11    531.878  263.348 8.3730  265.145 8.2673  -1.797394      11.76673 
1 1 1 -16 -7  24 o 124.885 3.9223  1896.71    118.855  1977.00    169.381  1818.82    166.821  127.356 5.4813  122.139 5.6290  5.216606       7.856868 
1 1 1 -16 -7  25 o 322.879 6.9243  12744.15   542.477  12664.44   769.132  12823.05   765.239  320.610 9.8869  322.668 9.7741  -2.057343      13.90266 
1 1 1 -16 -7  26 f 103.359 3.9899  1299.44    100.065  1298.66    141.202  1300.23    141.826  103.039 5.6696  103.099 5.6915  -0.5910492E-01 8.033460 
1 1 1 -16 -7  27 o 94.088  3.9835  1076.84    90.942   1074.11    127.663  1079.67    129.582  93.677  5.6429  93.910  5.7140  -0.2325974     8.030667 
1 1 1 -16 -7  28 o 142.780 6.2189  2489.78    215.447  2895.47    339.103  2215.16    278.993  153.115 9.1696  133.999 8.6267  19.11682       12.58974 
1 1 1 -16 -7  29 o 288.507 9.0236  10246.92   631.680  10725.25   930.907  9838.72    859.966  292.818 13.102  280.759 12.624  12.05963       18.19406 
1 1 1 -16 -7  30 o 177.367 6.8285  3850.67    293.875  3927.65    457.262  3796.50    383.584  177.710 10.654  175.308 9.0486  2.402786       13.97768 
1 1 1 -16 -7  31 o 80.540  4.7095  793.219    91.634   790.252    111.407  799.424    161.115  80.233  5.7610  80.176  8.4070  0.5651093E-01  10.19147 
1 1 1 -16 -7  32 o 48.515  4.7840  289.749    55.582   222.654    74.779   372.579    83.086   41.940  7.6293  54.811  6.3659  -12.87085      9.936342 
1 1 1 -16 -7  33 o 135.843 4.2326  2248.69    139.511  2146.69    198.513  2348.23    196.105  132.397 6.1794  138.543 5.8336  -6.146072      8.498031 
1 1 1 -16 -7  34 o 163.609 4.4947  3265.84    178.431  3079.68    254.453  3445.94    250.278  158.357 6.6223  167.648 6.1526  -9.291153      9.039312 
1 1 1 -16 -7  35 o 12.567  5.7172  -23.4962   38.213   -14.7367   47.454   -39.6526   64.447   14.979  6.6244  16.258  7.4073  -1.278391      9.937396 
1 1 1 -16 -7  36 o 99.092  4.0257  1198.25    96.791   1137.43    136.472  1259.81    137.299  96.053  5.8839  101.176 5.6148  -5.122818      8.133056 
1 1 1 -16 -7  37 o 93.991  3.9991  1078.83    91.203   1030.35    129.108  1127.11    128.854  91.334  5.8567  95.620  5.5780  -4.285484      8.087903 
1 1 1 -16 -7  38 o 46.931  4.8056  272.796    53.951   290.326    71.562   249.711    82.121   48.096  6.2822  44.100  7.9677  3.995529       10.14638 
1 1 1 -16 -7  39 o 108.671 4.0650  1445.06    107.187  1474.47    153.025  1416.73    150.185  109.145 5.7990  106.977 5.8077  2.167671       8.207197 
1 1 1 -16 -7  40 f 65.765  4.2567  532.348    67.561   524.952    93.817   540.317    97.373   64.840  6.0323  65.745  6.1764  -0.9049149     8.633458 
1 1 1 -16 -7  41 o 98.351  5.2814  1197.51    125.574  1234.72    158.964  1135.74    204.795  99.304  6.6355  93.954  9.0973  5.350479       11.26019 
1 1 1 -16 -7  42 o 48.296  5.6902  292.951    65.402   312.957    78.859   248.871    117.055  49.619  6.7231  42.719  11.168  6.900314       13.03508 
1 1 1 -16 -7  43 o 67.458  4.2264  561.364    68.829   566.245    95.997   556.201    98.739   67.214  5.9476  66.525  6.1880  0.6898575      8.582834 
1 1 1 -16 -7  44 o 61.829  4.8967  475.040    72.861   531.380    103.121  418.876    102.960  64.791  6.6540  57.072  7.6257  7.718529       10.12056 
1 1 1 -16 -7  45 o 35.946  6.9804  167.791    58.688   205.241    77.815   118.385    89.377   39.379  8.4002  30.499  10.237  8.879412       13.24210 
1 1 1 -16 -7  46 o 47.666  5.5231  286.094    62.695   293.305    86.931   278.278    90.505   47.445  7.8240  45.946  8.4288  1.499294       11.50043 
1 1 1 -16 -7  47 o 26.842  9.5611  85.612     78.463   93.531     192.036  84.025     85.966   33.856  14.102  27.139  9.9612  6.717016       17.26525 
1 1 1 -16 -7  48 o 35.259  8.8729  168.038    75.850   131.767    182.136  175.648    83.428   34.976  14.048  35.896  9.4494  -0.9194984     16.93054 
1 1 1 -16 -7  49 o 15.075  6.5694  -5.0026    45.125   26.019     63.961   -35.7469   63.675   20.216  8.2501  16.017  7.3230  4.198812       11.03135 
1 1 1 -16 -7  50 o 30.934  7.0143  126.940    51.436   141.434    73.113   112.738    72.375   32.162  9.0094  29.034  9.1771  3.127592       12.86032 
1 1 1 -16 -7  51 o 66.436  4.5051  551.188    72.193   624.570    103.079  480.538    101.142  69.913  6.1386  60.810  6.9814  9.103146       9.296341 
1 1 1 -16 -7  52 o 19.507  7.2981  40.113     46.551   44.615     66.235   35.719     65.439   21.803  8.5639  20.967  8.4209  0.8358498      12.01054 
1 1 1 -16 -7  53 o 15.750  6.9950  -11.9541   53.458   -48.1621   72.836   30.326     78.707   16.496  7.6457  21.761  9.0430  -5.264935      11.84196 
1 1 1 -16 -7  54 o 28.180  8.0144  108.975    57.403   74.874     76.449   153.051    86.914   25.044  9.3559  32.678  10.015  -7.633711      13.70487 
1 1 1 -16 -7  55 o 21.778  8.3515  50.348     61.852   -37.1599   71.292   316.702    124.380  16.761  7.6945  45.998  11.240  -29.23739      13.62110 
1 1 1 -16 -7  56 o 12.645  6.0430  -63.4054   52.178   -55.4805   59.017   -91.7771   111.666  14.110  6.6497  19.214  9.0829  -5.104172      11.25688 
1 1 1 -16 -7  57 o 23.222  7.8349  69.444     52.360   40.143     68.596   110.348    81.047   21.470  8.6221  28.453  9.7470  -6.982481      13.01322 
1 1 1 -16 -7  58 o 45.086  5.9831  264.057    63.838   229.480    85.825   306.876    95.509   40.394  8.9884  47.085  8.6795  -6.691944      12.49500 
1 1 1 -16 -7  59 o 82.061  8.3469  915.551    163.885  183.050    417.236  1049.18    178.208  38.808  18.092  87.738  8.4765  -48.92976      19.97944 
1 1 1 -16 -7  60 o 19.081  9.0184  -86.1033   110.005  -280.3601  314.305  -58.9860   117.432  27.807  13.640  20.735  9.6437  7.072031       16.70465 
1 1 1 -16 -6  1  o 72.808  3.3628  644.215    59.408   589.873    82.941   701.466    85.132   69.426  4.9562  75.774  4.6528  -6.348259      6.797964 
1 1 1 -16 -6  2  o 176.793 6.2661  3814.35    268.799  3814.35    268.799  0.0000     0.0000   176.793 6.2661  ?       ?       0.000000       6.266125 
1 1 1 -16 -6  3  o 43.145  5.1947  229.983    53.289   229.983    53.289   0.0000     0.0000   43.145  5.1947  ?       ?       0.000000       5.194740 
1 1 1 -16 -6  4  o 324.504 9.7729  12958.53   769.499  12958.53   769.499  0.0000     0.0000   324.504 9.7729  ?       ?       0.000000       9.772892 
1 1 1 -16 -6  5  o 302.412 6.4917  11165.38   476.341  11106.08   677.329  11223.40   670.026  300.620 9.2858  302.265 9.1356  -1.645599      13.02635 
1 1 1 -16 -6  6  o 43.003  6.9235  231.563    69.790   0.0000     0.0000   231.563    69.790   ?       ?       43.003  6.9235  0.000000       6.923483 
1 1 1 -16 -6  7  o 74.355  5.2398  676.826    93.929   609.312    163.752  709.932    114.669  69.675  9.9703  76.017  6.2729  -6.341713      11.77951 
1 1 1 -16 -6  8  o 51.327  5.5917  324.875    68.512   291.955    123.975  339.349    82.206   47.700  10.944  52.306  6.6258  -4.605755      12.79333 
1 1 1 -16 -6  9  o 14.094  5.3483  16.991     25.200   -0.8583    39.439   29.305     32.759   14.701  6.2703  17.046  6.1653  -2.344617      8.793640 
1 1 1 -16 -6  10 o 186.010 4.6742  4211.59    210.964  4517.55    300.678  3914.93    296.072  192.363 6.4419  179.007 6.8166  13.35609       9.378909 
1 1 1 -16 -6  11 o 61.011  3.6006  454.052    53.066   561.833    77.030   356.701    73.208   67.775  4.7134  53.794  5.6953  13.98062       7.392754 
1 1 1 -16 -6  12 o 195.582 4.9458  4658.01    234.707  5063.55    335.310  4268.44    328.642  203.585 6.7879  186.828 7.2496  16.75752       9.931417 
1 1 1 -16 -6  13 o 15.923  6.3110  16.419     36.272   85.032     66.606   -12.5091   43.248   26.883  8.8308  14.429  6.3555  12.45436       10.88003 
1 1 1 -16 -6  14 o 59.911  4.6344  439.460    66.846   605.404    129.350  378.995    78.080   69.906  7.7567  55.438  5.8949  14.46717       9.742499 
1 1 1 -16 -6  15 o 77.216  5.1254  729.375    95.482   0.0000     0.0000   729.375    95.482   ?       ?       77.216  5.1254  0.000000       5.125353 
1 1 1 -16 -6  16 o 47.456  5.7201  278.486    64.539   0.0000     0.0000   278.486    64.539   ?       ?       47.456  5.7201  0.000000       5.720130 
1 1 1 -16 -6  17 o 301.401 7.4071  11111.92   541.693  12332.37   964.245  10549.14   654.783  315.083 12.612  293.016 9.2096  22.06772       15.61700 
1 1 1 -16 -6  18 o 329.969 7.0723  13308.45   566.237  14289.60   803.187  12338.97   798.393  340.792 9.7132  316.355 10.401  24.43713       14.23127 
1 1 1 -16 -6  19 o 49.278  4.0819  297.359    48.367   231.538    68.365   363.320    68.438   43.028  6.7720  54.361  5.2540  -11.33342      8.571177 
1 1 1 -16 -6  20 o 174.565 6.2717  3718.86    265.651  3627.28    357.334  3832.01    397.192  171.966 8.5638  176.341 9.3160  -4.374496      12.65409 
1 1 1 -16 -6  21 o 61.761  5.3362  468.170    79.181   463.198    99.221   476.889    131.393  61.208  6.7955  61.688  9.0472  -0.4791412     11.31506 
1 1 1 -16 -6  22 o 163.463 6.0470  3259.70    239.842  3129.82    320.508  3424.98    361.568  159.574 8.3065  166.772 8.9681  -7.198456      12.22391 
1 1 1 -16 -6  23 o 105.008 3.8151  1340.74    97.205   1503.80    138.146  1180.83    136.802  111.111 5.1241  98.240  5.7643  12.87077       7.712562 
1 1 1 -16 -6  24 o 200.275 4.9859  4884.99    242.288  5733.30    344.084  4050.70    341.228  216.668 6.5449  181.882 7.7320  34.78575       10.13015 
1 1 1 -16 -6  25 o 11.641  5.3043  -21.4237   33.059   -12.9652   44.666   -31.6710   49.162   14.657  6.4571  14.191  6.4672  0.4655485      9.138866 
1 1 1 -16 -6  26 o 33.750  6.3363  143.568    49.983   123.855    67.142   168.073    74.860   31.277  8.5861  36.286  8.6286  -5.009422      12.17266 
1 1 1 -16 -6  27 o 109.315 4.0708  1453.76    107.975  1453.36    153.053  1454.16    152.349  108.993 5.8083  109.028 5.7795  -0.3468323E-01 8.193839 
1 1 1 -16 -6  28 o 18.756  8.5510  -54.5857   86.056   117.349    149.453  -139.8650  105.256  34.936  13.075  18.018  8.6030  16.91781       15.65173 
1 1 1 -16 -6  29 o 77.630  6.7347  742.532    125.600  610.367    224.725  802.571    151.465  68.579  13.979  80.516  7.8529  -11.93697      16.03386 
1 1 1 -16 -6  30 o 173.515 6.7485  3684.67    284.127  3668.37    439.962  3696.33    372.133  171.731 10.610  173.020 8.8943  -1.288406      13.84522 
1 1 1 -16 -6  31 o 246.479 5.6386  7419.00    337.219  7500.23    479.478  7339.49    474.361  247.007 8.0001  244.346 8.0009  2.661499       11.31444 
1 1 1 -16 -6  32 o 114.078 4.0247  1584.62    111.404  1505.70    157.731  1663.19    157.367  110.817 5.8871  116.678 5.5585  -5.860634      8.096664 
1 1 1 -16 -6  33 o 97.738  4.1333  1163.94    98.022   969.858    138.283  1359.94    138.966  88.714  6.4687  105.342 5.4555  -16.62730      8.462048 
1 1 1 -16 -6  34 o 45.397  5.0555  254.905    54.741   191.545    73.694   332.900    81.763   38.675  8.1121  51.640  6.6821  -12.96519      10.50982 
1 1 1 -16 -6  35 o 118.034 4.0866  1699.48    117.041  1743.20    167.324  1657.59    163.776  119.219 5.7843  116.250 5.8062  2.969238       8.195728 
1 1 1 -16 -6  36 o 85.975  3.9979  902.110    83.400   912.035    117.589  892.064    118.306  86.011  5.6662  85.035  5.7679  0.9755630      8.085461 
1 1 1 -16 -6  37 o 150.725 4.4178  2778.89    161.567  2847.17    230.429  2712.86    226.599  151.944 6.2501  148.299 6.2973  3.645416       8.872455 
1 1 1 -16 -6  38 o 62.992  4.3572  488.018    66.189   510.057    91.017   463.283    96.427   64.046  5.9240  60.820  6.6421  3.225819       8.900032 
1 1 1 -16 -6  39 o 92.125  4.0576  1038.70    90.701   1009.96    128.259  1067.46    128.282  90.226  5.8909  92.825  5.7234  -2.599709      8.213454 
1 1 1 -16 -6  40 o 110.972 5.4332  1520.10    146.298  1560.11    187.495  1457.82    233.914  111.616 6.9577  106.694 9.1232  4.921906       11.47352 
1 1 1 -16 -6  41 o 22.552  7.4381  61.611     47.236   48.157     55.078   99.024     91.847   21.607  7.9668  29.104  10.347  -7.497236      13.05869 
1 1 1 -16 -6  42 o 35.039  6.7509  158.411    55.314   155.474    65.371   165.814    103.792  34.398  7.9857  35.333  10.963  -0.9345551     13.56313 
1 1 1 -16 -6  43 o 30.799  6.7045  123.182    48.682   155.521    75.600   100.273    63.631   34.179  8.9939  27.888  8.5725  6.291574       12.42489 
1 1 1 -16 -6  44 o 50.870  5.0555  323.041    61.574   327.276    87.923   318.965    86.257   50.423  7.4071  49.783  7.3629  0.6396484      10.44404 
1 1 1 -16 -6  45 o 88.709  4.2063  968.193    90.539   910.693    127.913  1025.92    128.170  85.121  6.2366  90.549  5.8652  -5.427536      8.561259 
1 1 1 -16 -6  46 o 50.346  7.4392  327.670    88.139   437.103    193.882  299.163    98.955   54.408  14.445  47.450  8.9223  6.957634       16.97810 
1 1 1 -16 -6  47 f 46.434  7.8603  282.393    85.401   425.140    192.236  247.293    95.323   53.348  14.480  42.745  9.4427  10.60380       17.28688 
1 1 1 -16 -6  48 o 55.833  5.3417  391.938    71.484   476.936    93.541   272.617    110.830  61.199  6.3937  44.318  10.473  16.88120       12.27001 
1 1 1 -16 -6  49 o 68.743  4.4780  587.873    74.284   672.948    106.141  506.198    103.999  72.843  6.0602  62.674  6.9561  10.16873       9.225684 
1 1 1 -16 -6  50 o 24.474  7.4869  78.323     48.603   44.605     73.024   105.138    65.122   22.561  8.9504  28.059  8.6802  -5.497578      12.46820 
1 1 1 -16 -6  51 o 56.376  4.8241  399.523    65.354   462.267    92.922   338.105    91.935   59.858  6.5024  50.462  7.7568  9.396420       10.12173 
1 1 1 -16 -6  52 f 18.296  7.3069  26.290     48.969   79.385     72.209   -18.9180   66.631   25.392  9.1582  17.230  7.7198  8.161625       11.97781 
1 1 1 -16 -6  53 o 26.073  8.0046  91.600     55.499   49.363     73.654   147.084    84.418   22.734  8.9984  32.197  9.8701  -9.462812      13.35631 
1 1 1 -16 -6  54 o 21.363  7.7863  53.220     52.393   26.270     74.266   79.923     73.926   20.965  8.7541  25.359  9.2480  -4.394485      12.73421 
1 1 1 -16 -6  55 o 58.674  6.3473  447.916    88.924   454.529    105.197  431.361    166.440  58.275  7.6223  52.129  13.158  6.146072       15.20604 
1 1 1 -16 -6  56 o 17.016  7.4085  -0.9347    57.274   19.011     64.957   -70.6006   121.400  19.434  8.1561  20.896  9.7473  -1.461697      12.70950 
1 1 1 -16 -6  57 o 40.685  6.9743  220.451    66.372   125.907    87.700   347.198    101.543  30.046  10.140  50.209  8.6469  -20.16328      13.32618 
1 1 1 -16 -6  58 o 48.403  5.7816  302.628    66.558   277.890    87.902   335.870    101.896  44.933  8.3705  49.162  8.8683  -4.229370      12.19479 
1 1 1 -16 -6  59 o 32.125  11.949  147.510    124.423  232.510    322.124  132.605    134.892  38.696  17.179  31.373  12.251  7.322525       21.09950 
1 1 1 -16 -6  60 o 23.161  10.249  8.4847     113.784  -300.9166  311.091  56.268     122.255  27.249  13.407  26.140  11.091  1.108461       17.39976 
1 1 1 -16 -5  1  o 162.128 6.0901  3206.60    239.576  3206.60    239.576  0.0000     0.0000   162.128 6.0901  ?       ?       0.000000       6.090072 
1 1 1 -16 -5  2  o 28.745  6.0031  104.526    40.519   104.526    40.519   0.0000     0.0000   28.745  6.0031  ?       ?       0.000000       6.003063 
1 1 1 -16 -5  3  o 169.024 6.2643  3486.29    256.912  3486.29    256.912  0.0000     0.0000   169.024 6.2643  ?       ?       0.000000       6.264307 
1 1 1 -16 -5  4  o 221.923 5.1717  5998.86    278.486  5607.74    395.744  6382.54    391.959  214.068 7.6190  228.515 7.0691  -14.44684      10.39332 
1 1 1 -16 -5  5  o 251.689 7.9935  7758.88    488.165  8142.82    719.526  7431.43    664.492  256.518 11.560  245.217 11.168  11.30083       16.07364 
1 1 1 -16 -5  6  o 335.563 14.970  14120.91   1218.91  14120.91   1218.91  0.0000     0.0000   335.563 14.970  ?       ?       0.000000       14.97035 
1 1 1 -16 -5  7  o 200.836 9.3872  4958.44    457.447  0.0000     0.0000   4958.44    457.447  ?       ?       200.836 9.3872  0.000000       9.387173 
1 1 1 -16 -5  8  o 154.794 4.2329  2914.84    158.986  3277.70    227.972  2571.26    221.834  163.962 5.7303  145.147 6.2988  18.81494       8.515294 
1 1 1 -16 -5  9  o 113.945 3.7622  1578.52    104.017  1690.90    149.207  1472.27    145.083  117.814 5.2195  109.915 5.4400  7.899467       7.538995 
1 1 1 -16 -5  10 o 101.807 3.6488  1259.97    90.135   1257.87    129.495  1261.95    125.537  101.475 5.2776  101.790 5.0828  -0.3154831     7.327151 
1 1 1 -16 -5  11 o 106.858 3.7772  1388.30    97.936   1577.24    142.766  1220.36    134.599  113.790 5.1708  99.906  5.5747  13.88403       7.603584 
1 1 1 -16 -5  12 o 132.486 4.0415  2134.76    129.922  2398.19    186.856  1888.20    180.769  140.277 5.4898  124.418 5.9880  15.85945       8.123634 
1 1 1 -16 -5  13 o 167.559 5.0433  3419.29    205.042  4124.39    346.112  3038.02    254.510  183.544 7.7716  157.719 6.6506  25.82591       10.22880 
1 1 1 -16 -5  14 o 218.674 7.2011  5846.69    382.084  0.0000     0.0000   5846.69    382.084  ?       ?       218.674 7.2011  0.000000       7.201062 
1 1 1 -16 -5  15 o 331.116 9.9731  13500.05   801.262  0.0000     0.0000   13500.05   801.262  ?       ?       331.116 9.9731  0.000000       9.973118 
1 1 1 -16 -5  16 o 245.441 6.4929  7354.67    386.680  7114.88    693.134  7463.02    465.920  239.630 11.921  246.906 7.7771  -7.275421      14.23348 
1 1 1 -16 -5  17 o 212.064 5.1416  5477.49    264.564  5835.87    376.298  5127.18    372.040  218.503 7.0976  204.720 7.4897  13.78323       10.31851 
1 1 1 -16 -5  18 o 160.416 4.2878  3130.54    166.895  3188.34    237.053  3073.74    235.010  161.672 6.0429  158.732 6.1018  2.940628       8.587718 
1 1 1 -16 -5  19 o 35.228  4.9526  154.043    41.164   208.089    58.827   102.190    57.622   40.857  6.1226  28.497  8.0036  12.35975       10.07689 
1 1 1 -16 -5  20 o 170.145 6.2178  3532.41    256.697  3495.20    344.476  3578.89    384.934  168.845 8.4083  170.400 9.3457  -1.554840      12.57147 
1 1 1 -16 -5  21 o 127.833 5.4439  1991.34    168.857  1868.81    221.797  2160.26    260.427  123.382 7.4435  132.541 8.1372  -9.159355      11.02816 
1 1 1 -16 -5  22 o 112.168 5.3728  1533.06    146.229  1644.15    191.080  1376.04    227.167  115.809 6.8302  105.496 8.9593  10.31271       11.26591 
1 1 1 -16 -5  23 o 129.607 4.0032  2042.92    125.892  2020.24    178.122  2065.54    177.955  128.724 5.7029  130.167 5.6344  -1.442856      8.016794 
1 1 1 -16 -5  24 o 150.596 4.1596  2758.79    151.994  3020.86    215.608  2499.89    214.302  157.409 5.6451  143.126 6.1708  14.28360       8.363383 
1 1 1 -16 -5  25 o 21.458  7.0107  54.127     42.000   67.894     56.633   37.300     62.610   24.290  8.1486  21.679  8.3790  2.610580       11.68786 
1 1 1 -16 -5  26 o 10.713  5.1506  -58.5564   39.180   -13.7239   50.239   -128.1484  62.593   15.599  6.8610  12.327  6.0549  3.271777       9.150642 
1 1 1 -16 -5  27 o 103.951 4.0514  1314.55    102.186  1302.85    144.070  1326.39    144.961  103.183 5.7776  104.117 5.7605  -0.9334717     8.158688 
1 1 1 -16 -5  28 o 78.622  6.8247  761.538    128.902  870.322    223.598  707.388    157.755  83.048  11.397  75.366  8.7919  7.682007       14.39389 
1 1 1 -16 -5  29 o 113.756 6.1622  1585.34    169.454  2025.57    285.101  1344.87    210.712  127.900 9.2492  104.293 8.3978  23.60712       12.49282 
1 1 1 -16 -5  30 o 105.080 6.3848  1355.06    162.018  1380.53    273.080  1341.23    201.270  104.948 10.882  104.197 8.0226  0.7512589      13.51967 
1 1 1 -16 -5  31 o 211.887 5.2147  5478.00    268.100  5544.93    381.751  5412.87    376.603  212.565 7.4016  210.022 7.3902  2.542923       10.45935 
1 1 1 -16 -5  32 f 193.960 4.8649  4589.12    228.955  4584.57    325.991  4593.56    321.635  193.316 6.9498  193.537 6.8491  -0.2202148     9.757586 
1 1 1 -16 -5  33 o 78.592  4.2240  754.971    80.254   710.662    112.105  801.550    114.942  75.924  6.1378  80.707  5.9107  -4.782417      8.521047 
1 1 1 -16 -5  34 f 38.968  5.3003  189.085    48.815   147.420    65.793   240.109    72.808   33.867  8.1130  43.621  7.1250  -9.753307      10.79756 
1 1 1 -16 -5  35 o 109.651 4.1217  1467.05    109.661  1453.67    155.193  1480.38    154.975  108.669 5.9080  109.682 5.8443  -1.013466      8.310259 
1 1 1 -16 -5  36 o 108.142 4.0135  1427.61    105.312  1450.08    148.609  1404.93    149.260  108.516 5.6636  106.775 5.7827  1.740776       8.094230 
1 1 1 -16 -5  37 o 164.152 4.5537  3298.73    181.372  3240.97    259.149  3354.19    253.929  161.911 6.5964  164.828 6.3492  -2.917038      9.155624 
1 1 1 -16 -5  38 o 20.635  6.8045  50.695     39.532   52.121     53.467   48.975     58.714   21.992  7.8864  22.151  8.2141  -0.1581497     11.38708 
1 1 1 -16 -5  39 o 80.080  3.8886  784.462    75.557   716.558    107.702  850.268    106.025  75.916  5.8931  82.918  5.2975  -7.002441      7.924114 
1 1 1 -16 -5  40 o 19.055  7.1312  35.016     44.455   23.437     52.984   62.550     81.704   18.917  7.5844  25.358  9.6285  -6.441065      12.25694 
1 1 1 -16 -5  41 o 22.523  7.3833  61.772     46.569   55.777     55.621   75.828     85.164   22.472  8.0452  26.678  9.8928  -4.206100      12.75114 
1 1 1 -16 -5  42 o 36.706  6.6752  173.346    57.262   162.948    67.578   199.820    107.829  35.191  8.0842  38.400  11.006  -3.208260      13.65583 
1 1 1 -16 -5  43 o 50.394  5.0885  317.023    61.369   361.638    87.247   273.333    86.338   53.263  6.9140  45.788  8.0658  7.475182       10.62357 
1 1 1 -16 -5  44 o 62.196  4.6066  479.468    69.025   533.408    98.323   427.051    96.925   65.039  6.3099  57.854  7.0504  7.184952       9.461647 
1 1 1 -16 -5  45 o 13.064  6.0386  -34.4062   44.982   1.9072     66.188   -65.5744   61.320   18.824  8.0781  14.269  6.7407  4.555008       10.52111 
1 1 1 -16 -5  46 o 44.300  8.3235  259.046    86.184   99.355     189.324  300.789    96.795   34.076  14.082  47.660  8.6905  -13.58387      16.54731 
1 1 1 -16 -5  47 o 27.500  9.0298  96.764     69.644   -9.5880    162.840  120.572    77.046   27.579  12.230  30.199  9.4578  -2.619881      15.46067 
1 1 1 -16 -5  48 o 27.929  7.5449  103.434    52.337   125.532    79.061   86.196     69.827   30.639  9.5783  26.319  9.0458  4.320183       13.17461 
1 1 1 -16 -5  49 o 14.836  6.5355  -9.1947    45.751   -31.6276   65.668   11.965     63.777   16.510  7.5049  19.059  8.0445  -2.549150      11.00168 
1 1 1 -16 -5  50 o 10.147  4.9878  -84.9039   42.730   -26.5043   67.073   -124.7970  55.436   16.945  7.6554  11.053  5.4785  5.892229       9.413767 
1 1 1 -16 -5  51 o 16.847  6.9061  16.283     45.072   -9.5839    65.862   39.067     61.813   17.732  7.8249  20.930  8.2565  -3.198496      11.37537 
1 1 1 -16 -5  52 o 46.004  6.0241  273.530    65.627   195.370    87.888   372.040    98.667   37.102  9.6659  52.662  7.9710  -15.55987      12.52863 
1 1 1 -16 -5  53 o 53.305  5.6613  364.505    72.102   354.607    99.444   375.475    104.693  51.051  8.3143  52.419  8.5242  -1.368061      11.90755 
1 1 1 -16 -5  54 o 80.591  4.6791  816.868    91.103   766.432    125.912  872.284    131.981  76.532  6.8530  81.797  6.7088  -5.265457      9.590244 
1 1 1 -16 -5  55 o 35.970  8.4260  179.984    72.250   272.096    83.580   -92.3575   143.714  44.700  7.9998  22.143  10.418  22.55696       13.13481 
1 1 1 -16 -5  56 o 16.330  7.2588  -11.9780   57.691   -37.6329   65.426   77.684     122.312  15.947  7.3393  27.800  11.384  -11.85293      13.54482 
1 1 1 -16 -5  57 o 31.177  8.0267  134.184    61.083   179.195    77.816   61.928     98.593   35.633  8.9982  25.405  10.289  10.22809       13.66889 
1 1 1 -16 -5  58 o 18.078  8.3678  -49.9011   86.827   0.0000     0.0000   -49.9011   86.827   ?       ?       18.078  8.3678  0.000000       8.367842 
1 1 1 -16 -5  59 o 22.499  10.075  -7.7445    113.315  -151.0564  305.914  15.046     121.992  29.635  14.282  24.228  10.673  5.407211       17.82944 
1 1 1 -16 -4  1  o 239.310 7.6106  7007.59    441.923  7007.59    441.923  0.0000     0.0000   239.310 7.6106  ?       ?       0.000000       7.610647 
1 1 1 -16 -4  2  o 181.509 6.5029  4022.02    286.400  4022.02    286.400  0.0000     0.0000   181.509 6.5029  ?       ?       0.000000       6.502949 
1 1 1 -16 -4  3  o 123.563 4.2620  1857.31    127.780  1762.91    209.466  1913.25    161.260  119.866 7.2360  125.318 5.3033  -5.452255      8.971313 
1 1 1 -16 -4  4  o 70.332  4.6042  604.573    78.138   556.891    105.728  661.964    115.993  67.222  6.5659  73.340  6.5885  -6.118484      9.301574 
1 1 1 -16 -4  5  o 132.914 5.5970  2153.31    180.506  2340.08    281.235  2022.47    235.387  137.898 8.4459  128.343 7.5925  9.555252       11.35686 
1 1 1 -16 -4  6  o 180.434 6.4830  3974.65    283.828  4152.51    429.616  3836.90    378.091  183.475 9.6845  176.810 8.8130  6.665268       13.09426 
1 1 1 -16 -4  7  o 210.243 7.0352  5402.56    358.889  5962.56    538.617  4955.41    481.297  220.012 10.090  200.632 9.8866  19.38005       14.12600 
1 1 1 -16 -4  8  f 185.424 4.6135  4184.63    207.570  4641.09    296.391  3745.28    290.785  195.012 6.2638  175.083 6.8448  19.92831       9.278332 
1 1 1 -16 -4  9  o 312.356 6.7102  11917.37   508.571  12779.33   721.599  11066.65   716.880  322.487 9.2219  299.831 9.8539  22.65652       13.49599 
1 1 1 -16 -4  10 o 343.592 7.2296  14435.84   602.732  15396.92   854.274  13483.18   850.521  353.604 9.9567  330.572 10.604  23.03174       14.54557 
1 1 1 -16 -4  11 o 326.919 7.1197  13065.65   564.760  14007.58   800.748  12133.34   796.651  337.361 9.7822  313.657 10.468  23.70425       14.32702 
1 1 1 -16 -4  12 o 198.499 4.8510  4797.22    233.643  5186.03    333.194  4421.10    327.715  206.063 6.6640  190.174 7.1020  15.88887       9.738953 
1 1 1 -16 -4  13 o 208.339 7.0064  5304.86    354.185  0.0000     0.0000   5304.86    354.185  ?       ?       208.339 7.0064  0.000000       7.006407 
1 1 1 -16 -4  14 o 181.086 6.4474  4003.16    283.290  0.0000     0.0000   4003.16    283.290  ?       ?       181.086 6.4474  0.000000       6.447372 
1 1 1 -16 -4  15 o 127.479 5.4908  1980.45    169.838  0.0000     0.0000   1980.45    169.838  ?       ?       127.479 5.4908  0.000000       5.490775 
1 1 1 -16 -4  16 o 65.939  4.0125  530.703    63.892   550.296    96.153   515.212    85.498   66.908  5.9860  64.792  5.4900  2.115295       8.122313 
1 1 1 -16 -4  17 o 121.786 3.8303  1803.32    113.185  1746.12    161.128  1859.03    159.029  119.696 5.5479  123.529 5.3057  -3.833450      7.676552 
1 1 1 -16 -4  18 f 179.008 4.5380  3899.47    197.108  3922.14    279.880  3877.16    277.640  179.252 6.4349  178.224 6.4202  1.028519       9.089979 
1 1 1 -16 -4  19 o 233.728 7.5158  6683.17    426.234  6393.51    581.984  7018.29    625.990  227.696 10.534  238.456 10.819  -10.76016      15.10032 
1 1 1 -16 -4  20 o 170.576 6.2317  3550.32    257.923  3480.39    345.982  3637.80    386.965  168.265 8.5017  171.814 9.3170  -3.549622      12.61287 
1 1 1 -16 -4  21 f 243.998 7.6962  7286.65    455.647  6762.37    622.717  7890.80    668.477  234.002 10.968  252.801 10.898  -18.79919      15.46128 
1 1 1 -16 -4  22 o 258.649 5.8232  8157.67    365.457  8293.89    518.224  8022.90    515.455  260.149 8.2098  255.834 8.3036  4.314789       11.67695 
1 1 1 -16 -4  23 o 53.380  4.2246  348.786    54.271   341.517    77.099   355.926    76.406   52.551  6.1635  53.694  5.9655  -1.142269      8.577624 
1 1 1 -16 -4  24 o 59.021  3.9942  425.591    56.865   584.059    80.044   264.122    80.799   69.096  4.8042  45.876  7.5191  23.21948       8.922872 
1 1 1 -16 -4  25 o 106.924 3.8994  1390.35    101.165  1346.59    143.982  1433.01    142.174  104.937 5.6759  108.433 5.4038  -3.495995      7.836876 
1 1 1 -16 -4  26 o 294.470 6.4923  10591.75   463.877  10755.79   658.032  10429.71   654.029  295.746 9.1699  291.192 9.2567  4.554779       13.02967 
1 1 1 -16 -4  27 o 106.862 5.7807  1397.18    149.332  1430.83    249.813  1378.47    186.277  107.341 9.6962  105.878 7.2954  1.462784       12.13417 
1 1 1 -16 -4  28 o 65.565  6.4076  530.166    100.633  598.744    182.866  500.376    120.525  68.628  11.380  63.380  8.0164  5.247570       13.92038 
1 1 1 -16 -4  29 o 209.164 7.3639  5360.92    373.730  5206.85    564.030  5481.51    498.994  204.423 11.417  210.714 9.7597  -6.290970      15.01992 
1 1 1 -16 -4  30 o 177.777 4.6407  3850.65    200.181  3867.81    285.196  3833.98    281.046  177.785 6.6113  177.021 6.5432  0.7638092      9.301721 
1 1 1 -16 -4  31 o 54.137  4.4827  359.528    58.355   369.544    82.870   349.675    82.188   54.591  6.3763  53.056  6.5215  1.534691       9.120714 
1 1 1 -16 -4  32 o 251.238 5.6815  7716.77    346.349  7787.06    492.107  7647.78    487.547  251.405 8.0672  249.148 8.0648  2.257339       11.40706 
1 1 1 -16 -4  33 o 88.215  3.8804  947.945    83.059   1000.50    118.542  897.260    116.414  90.292  5.4361  85.449  5.6466  4.842590       7.838082 
1 1 1 -16 -4  34 o 75.441  3.9835  695.755    72.660   635.786    102.623  756.037    102.890  71.763  5.9472  78.401  5.4424  -6.637451      8.061525 
1 1 1 -16 -4  35 o 57.460  4.2659  405.298    59.052   386.900    82.744   424.396    84.301   55.762  6.2216  58.474  6.0280  -2.712379      8.662906 
1 1 1 -16 -4  36 o 109.970 3.9482  1476.35    105.350  1489.10    149.883  1463.91    148.109  109.951 5.6371  109.020 5.6181  0.9311829      7.958627 
1 1 1 -16 -4  37 o 116.210 4.0427  1650.56    113.993  1625.10    163.326  1674.74    159.173  114.693 5.8887  116.657 5.6234  -1.963066      8.142433 
1 1 1 -16 -4  38 o 87.506  3.9107  936.246    83.033   987.740    118.357  886.338    116.519  89.386  5.4836  84.588  5.7105  4.797203       7.917007 
1 1 1 -16 -4  39 o 130.519 4.1986  2087.42    132.968  2204.99    190.095  1974.78    186.060  133.516 5.8678  126.268 6.0729  7.247879       8.444573 
1 1 1 -16 -4  40 o 57.657  5.5732  414.702    76.996   347.793    93.892   552.087    134.541  52.107  7.6543  65.448  8.6868  -13.34084      11.57791 
1 1 1 -16 -4  41 o 35.498  6.6674  162.162    55.320   108.086    66.597   282.534    99.360   28.915  8.7465  46.259  9.1763  -17.34396      12.67694 
1 1 1 -16 -4  42 o 55.715  4.2782  383.701    57.395   308.034    80.565   461.678    81.786   49.109  6.9557  60.764  5.6104  -11.65543      8.936351 
1 1 1 -16 -4  43 o 64.821  4.5366  520.038    70.902   575.724    105.004  473.373    96.125   67.547  6.4865  61.160  6.5810  6.387402       9.240376 
1 1 1 -16 -4  44 o 51.027  5.0543  325.133    61.755   363.612    88.678   288.898    86.052   53.324  7.0248  47.157  7.7927  6.166420       10.49158 
1 1 1 -16 -4  45 o 79.860  8.5132  827.236    162.421  343.247    334.543  976.501    185.786  48.587  19.195  86.522  8.9804  -37.93459      21.19166 
1 1 1 -16 -4  46 o 30.736  9.3482  125.312    75.923   -101.4592  176.644  176.697    84.086   25.601  11.880  36.108  9.4776  -10.50691      15.19734 
1 1 1 -16 -4  47 o 22.895  8.8990  48.546     70.930   -43.0003   172.898  67.070     77.776   27.049  12.249  25.056  9.4217  1.992573       15.45335 
1 1 1 -16 -4  48 o 15.661  6.7386  -0.1393    46.275   50.368     68.175   -43.2910   63.015   22.731  8.7552  15.523  7.1652  7.207967       11.31338 
1 1 1 -16 -4  49 o 19.813  7.3359  41.671     46.796   63.209     68.987   23.313     63.689   23.889  8.8948  19.905  8.1903  3.984161       12.09129 
1 1 1 -16 -4  50 o 20.669  7.4629  48.599     47.968   116.226    70.373   -10.0920   65.558   29.284  9.0174  17.696  7.8081  11.58816       11.92808 
1 1 1 -16 -4  51 o 41.926  5.5684  225.363    55.245   230.595    81.150   220.843    75.422   41.109  8.4188  40.430  7.9716  0.6792297      11.59405 
1 1 1 -16 -4  52 o 49.214  6.0409  312.940    70.621   333.232    94.881   287.733    105.748  49.632  8.1626  44.950  9.9579  4.681751       12.87583 
1 1 1 -16 -4  53 o 34.318  8.0049  161.908    65.433   124.732    84.874   216.382    102.738  29.948  9.9748  38.362  10.656  -8.413961      14.59642 
1 1 1 -16 -4  54 o 23.747  8.8861  65.673     69.021   98.445     80.175   -28.1425   135.652  27.325  9.6722  23.692  10.776  3.633278       14.48001 
1 1 1 -16 -4  55 o 54.348  6.9309  389.492    89.318   394.926    104.723  374.991    171.081  53.857  8.2787  47.789  13.911  6.067856       16.18830 
1 1 1 -16 -4  56 o 51.199  5.8363  338.040    71.208   283.546    96.283   403.833    105.795  44.988  9.1323  54.518  8.2560  -9.529850      12.31100 
1 1 1 -16 -4  57 o 13.288  6.2566  -49.3976   52.027   -33.3604   67.043   -73.6761   82.490   16.390  7.5011  16.601  7.8350  -0.2106075     10.84681 
1 1 1 -16 -4  58 o 37.372  11.893  214.970    121.394  596.479    322.956  152.198    131.001  51.855  19.258  32.638  12.236  19.21758       22.81631 
1 1 1 -16 -4  59 f 21.062  9.2039  8.0158     89.123   32.106     311.030  5.8609     93.024   33.097  15.492  21.310  9.3552  11.78678       18.09770 
1 1 1 -16 -3  1  o 42.432  5.5436  223.108    55.712   223.108    55.712   0.0000     0.0000   42.432  5.5436  ?       ?       0.000000       5.543648 
1 1 1 -16 -3  2  o 73.680  3.6400  659.900    65.075   666.240    89.961   652.943    94.247   73.795  5.0547  73.013  5.3573  0.7813263      7.365453 
1 1 1 -16 -3  3  o 117.912 3.8873  1690.51    111.217  1538.52    155.552  1849.47    159.076  112.194 5.7332  123.210 5.3210  -11.01624      7.821902 
1 1 1 -16 -3  4  o 182.364 6.4916  4060.03    287.246  4293.33    432.903  3876.51    383.944  186.607 9.5933  177.482 8.9443  9.125290       13.11615 
1 1 1 -16 -3  5  o 241.132 7.7449  7117.37    453.139  7464.60    667.968  6821.35    616.763  245.754 11.202  235.075 10.813  10.67955       15.56932 
1 1 1 -16 -3  6  o 173.988 6.2712  3694.27    264.747  4133.11    401.573  3356.89    352.104  183.457 9.0212  165.153 8.8185  18.30399       12.61537 
1 1 1 -16 -3  7  f 76.192  3.5115  705.602    64.919   722.321    93.910   690.300    89.844   76.848  5.0647  75.131  4.9563  1.717010       7.086334 
1 1 1 -16 -3  8  f 72.383  3.6489  638.515    63.879   724.295    93.750   564.175    87.275   76.955  5.0487  67.839  5.3454  9.116058       7.352744 
1 1 1 -16 -3  9  o 94.974  3.6952  1096.57    85.154   1236.33    123.334  969.253    117.714  100.627 5.0675  89.015  5.4767  11.61257       7.461475 
1 1 1 -16 -3  10 o 101.526 3.8654  1253.33    95.222   1496.68    141.472  1051.77    128.754  110.839 5.2603  92.702  5.7525  18.13660       7.795023 
1 1 1 -16 -3  11 o 72.738  3.9705  645.315    69.811   777.291    108.666  552.565    91.097   79.653  5.6593  67.092  5.6484  12.56108       7.995782 
1 1 1 -16 -3  12 o 71.300  5.0917  622.281    87.508   0.0000     0.0000   622.281    87.508   ?       ?       71.300  5.0917  0.000000       5.091673 
1 1 1 -16 -3  13 o 177.396 6.3741  3841.15    274.362  0.0000     0.0000   3841.15    274.362  ?       ?       177.396 6.3741  0.000000       6.374063 
1 1 1 -16 -3  14 o 243.704 7.8149  7271.26    462.118  0.0000     0.0000   7271.26    462.118  ?       ?       243.704 7.8149  0.000000       7.814930 
1 1 1 -16 -3  15 o 193.628 4.9047  4564.83    230.435  4888.21    328.634  4252.06    323.202  200.046 6.7705  186.504 7.1420  13.54192       9.841145 
1 1 1 -16 -3  16 o 108.811 3.7780  1439.47    99.746   1541.52    142.474  1341.36    139.691  112.494 5.2197  104.770 5.5144  7.724670       7.593004 
1 1 1 -16 -3  17 o 67.805  3.7464  560.628    61.398   569.312    87.905   552.357    85.793   68.150  5.3593  67.128  5.3106  1.022202       7.544823 
1 1 1 -16 -3  18 o 44.774  4.3091  246.122    46.237   300.823    65.975   193.324    64.817   49.367  5.6072  39.184  7.0778  10.18294       9.029751 
1 1 1 -16 -3  19 o 79.267  5.1783  768.540    99.049   787.023    127.396  740.292    157.494  80.015  6.6213  77.243  8.5463  2.772377       10.81116 
1 1 1 -16 -3  20 o 77.240  5.0927  729.706    94.910   618.228    120.710  910.217    153.603  70.770  7.1266  85.952  7.4384  -15.18274      10.30134 
1 1 1 -16 -3  21 o 29.452  7.6505  110.088    55.164   66.855     68.663   188.801    92.648   25.142  8.9453  38.448  9.8782  -13.30691      13.32657 
1 1 1 -16 -3  22 o 189.214 4.8010  4358.55    220.418  4357.39    313.124  4359.69    310.331  188.855 6.8332  188.917 6.7700  -0.6199646E-01 9.618999 
1 1 1 -16 -3  23 o 86.800  3.8591  916.122    81.276   830.291    115.574  1000.10    114.320  82.312  5.8243  90.456  5.2309  -8.143906      7.828517 
1 1 1 -16 -3  24 o 129.047 4.0176  2025.41    125.799  1999.28    178.756  2051.05    177.068  128.044 5.7536  129.706 5.6262  -1.661636      8.047231 
1 1 1 -16 -3  25 o 202.402 4.9603  4989.46    243.605  5287.96    346.674  4698.29    342.386  207.999 6.8690  195.988 7.1999  12.01152       9.950958 
1 1 1 -16 -3  26 o 84.538  3.8773  869.166    79.532   852.915    113.746  884.710    111.247  83.441  5.6514  85.022  5.4208  -1.580452      7.830927 
1 1 1 -16 -3  27 o 143.280 6.0971  2506.26    211.970  2674.57    337.892  2397.04    272.191  147.062 9.5203  139.571 8.0718  7.491028       12.48160 
1 1 1 -16 -3  28 o 67.988  6.3404  569.572    103.388  662.608    187.101  528.678    124.047  72.363  11.003  65.170  8.0135  7.193283       13.61151 
1 1 1 -16 -3  29 o 126.858 6.0310  1965.79    185.640  1941.71    302.232  1980.37    235.248  124.946 10.054  126.836 7.6802  -1.890083      12.65194 
1 1 1 -16 -3  30 o 190.869 4.8465  4440.87    224.454  4418.57    319.417  4462.62    315.472  189.918 6.9315  190.894 6.8109  -0.9760437     9.717698 
1 1 1 -16 -3  31 o 196.010 4.7751  4684.71    227.104  4650.61    323.312  4717.92    319.076  194.779 6.8409  196.225 6.7016  -1.445236      9.576508 
1 1 1 -16 -3  32 o 109.290 3.9881  1454.81    105.758  1320.41    150.338  1586.47    148.802  103.694 6.0009  113.945 5.3821  -10.25108      8.060834 
1 1 1 -16 -3  33 o 56.633  4.2912  393.344    58.530   351.891    81.413   437.690    84.205   53.170  6.4419  59.486  5.9122  -6.315598      8.743723 
1 1 1 -16 -3  34 o 71.723  4.0275  629.320    69.808   622.138    98.545   636.554    98.902   71.003  5.7699  71.836  5.7216  -0.8331223     8.125765 
1 1 1 -16 -3  35 o 53.033  4.3461  345.840    55.434   348.577    78.880   343.169    77.921   52.866  6.2716  52.454  6.2450  0.4111595      8.850594 
1 1 1 -16 -3  36 o 64.873  4.1001  516.187    64.207   592.155    91.229   441.621    90.383   69.221  5.4763  59.510  6.3578  9.711132       8.391162 
1 1 1 -16 -3  37 o 130.297 4.1801  2076.78    132.155  2148.09    188.598  2007.99    185.238  131.981 5.8893  127.571 5.9843  4.410034       8.396158 
1 1 1 -16 -3  38 o 48.498  4.6474  291.179    54.020   267.103    75.859   315.948    76.943   45.832  7.0471  50.088  6.4832  -4.255394      9.575637 
1 1 1 -16 -3  39 o 30.195  7.4742  118.608    54.467   133.167    63.855   79.729     104.351  31.910  8.2023  28.459  10.863  3.450878       13.61206 
1 1 1 -16 -3  40 o 44.045  6.3705  246.043    66.104   232.180    79.607   276.833    118.637  42.245  8.0604  45.230  10.932  -2.984837      13.58191 
1 1 1 -16 -3  41 o 73.687  5.3262  674.932    94.588   648.346    115.999  727.684    163.402  71.697  6.7472  74.834  9.1923  -3.136246      11.40280 
1 1 1 -16 -3  42 o 48.965  5.1443  299.551    60.206   334.729    86.816   266.958    83.565   51.126  7.1975  45.321  7.8855  5.805412       10.67636 
1 1 1 -16 -3  43 o 44.091  5.4622  244.587    57.185   306.008    85.793   195.485    76.709   48.700  7.5012  38.433  8.4555  10.26681       11.30324 
1 1 1 -16 -3  44 o 30.889  7.1663  124.971    52.672   157.059    76.336   95.809     72.772   34.263  9.0480  27.660  9.2372  6.602983       12.93025 
1 1 1 -16 -3  45 o 22.908  8.8074  49.752     68.900   211.636    175.450  20.235     74.919   39.642  14.278  21.167  8.8116  18.47487       16.77850 
1 1 1 -16 -3  46 o 59.158  6.9571  448.259    97.955   472.537    210.029  441.510    110.736  55.838  15.127  58.197  8.0582  -2.359680      17.13934 
1 1 1 -16 -3  47 o 40.075  6.0990  205.951    57.434   272.537    87.972   156.485    75.823   45.308  8.3082  33.970  9.0401  11.33863       12.27802 
1 1 1 -16 -3  48 o 23.852  7.4317  73.379     47.640   86.025     73.055   64.024     62.839   26.387  9.2420  23.583  8.5376  2.803675       12.58196 
1 1 1 -16 -3  49 o 47.241  5.4372  283.340    61.187   355.638    88.252   216.415    84.909   52.212  7.1542  39.720  9.0162  12.49165       11.50982 
1 1 1 -16 -3  50 o 41.588  5.7464  222.130    56.438   192.076    82.842   248.161    77.098   37.161  9.2293  43.150  7.6434  -5.989113      11.98341 
1 1 1 -16 -3  51 o 29.833  7.1603  119.710    51.172   178.856    76.053   70.781     69.173   35.894  8.8000  24.397  8.9383  11.49696       12.54331 
1 1 1 -16 -3  52 o 33.098  7.9011  150.059    62.575   175.188    84.338   119.286    93.332   35.064  9.6218  29.668  10.443  5.396008       14.19965 
1 1 1 -16 -3  53 o 49.769  6.0361  320.888    71.401   337.667    95.662   299.782    107.289  49.815  8.1996  45.742  9.9499  4.073902       12.89318 
1 1 1 -16 -3  54 o 34.343  8.8881  166.110    74.637   144.296    84.127   246.755    161.757  31.809  9.8701  39.227  13.752  -7.418007      16.92700 
1 1 1 -16 -3  55 o 36.559  8.5966  186.425    74.976   210.510    84.371   95.987     163.490  38.601  9.1480  30.733  12.921  7.867439       15.83147 
1 1 1 -16 -3  56 o 12.596  5.9698  -52.4995   48.835   -39.9147   60.439   -76.1695   82.889   15.112  6.9902  16.566  7.8295  -1.454207      10.49594 
1 1 1 -16 -3  57 o 20.024  7.8591  37.667     55.741   27.938     71.091   53.194     89.809   20.740  8.6045  24.157  9.8075  -3.416666      13.04696 
1 1 1 -16 -3  58 o 47.301  11.792  344.685    134.861  510.531    333.337  312.225    147.470  47.570  19.041  43.930  12.952  3.639549       23.02853 
1 1 1 -16 -3  59 o 61.762  21.269  979.442    386.116  979.442    386.116  0.0000     0.0000   61.762  21.269  ?       ?       0.000000       21.26885 
1 1 1 -16 -2  1  o 205.762 6.9807  5173.31    348.521  5173.31    348.521  0.0000     0.0000   205.762 6.9807  ?       ?       0.000000       6.980715 
1 1 1 -16 -2  2  o 328.087 7.9357  13180.54   631.740  12443.79   1078.82  13565.02   779.340  315.674 14.085  332.096 9.6716  -16.42230      17.08555 
1 1 1 -16 -2  3  o 157.704 6.0179  3033.49    230.277  3236.84    351.750  2880.98    304.630  162.135 8.9761  153.118 8.2296  9.016479       12.17771 
1 1 1 -16 -2  4  o 30.405  6.7787  117.345    48.735   92.326     101.061  124.927    55.631   29.925  10.828  31.339  7.4291  -1.414022      13.13158 
1 1 1 -16 -2  5  o 66.215  5.1742  537.264    82.471   648.309    142.845  481.744    101.005  72.271  8.2962  62.441  6.7754  9.829693       10.71135 
1 1 1 -16 -2  6  o 113.765 4.1909  1574.31    115.686  1643.25    191.366  1534.61    145.227  115.777 6.8425  112.229 5.3331  3.547752       8.675303 
1 1 1 -16 -2  7  o 174.100 4.4944  3688.50    189.860  3787.54    270.020  3591.66    267.010  176.161 6.3172  171.530 6.4154  4.631653       9.003543 
1 1 1 -16 -2  8  o 179.273 5.1511  3914.67    224.067  4345.02    376.249  3678.17    278.921  188.288 8.2355  173.548 6.6237  14.74002       10.56864 
1 1 1 -16 -2  9  o 125.575 3.8535  1917.40    117.415  1949.38    168.556  1887.26    163.651  126.473 5.4927  124.449 5.4196  2.023903       7.716289 
1 1 1 -16 -2  10 o 193.182 4.7559  4543.04    222.928  4939.74    319.041  4164.56    311.625  201.137 6.5372  184.604 6.9571  16.53313       9.546509 
1 1 1 -16 -2  11 f 167.311 6.1736  3415.62    250.626  0.0000     0.0000   3415.62    250.626  ?       ?       167.311 6.1736  0.000000       6.173575 
1 1 1 -16 -2  12 f 108.242 5.2838  1427.39    138.772  0.0000     0.0000   1427.39    138.772  ?       ?       108.242 5.2838  0.000000       5.283761 
1 1 1 -16 -2  13 o 68.442  5.2342  573.932    86.264   0.0000     0.0000   573.932    86.264   ?       ?       68.442  5.2342  0.000000       5.234159 
1 1 1 -16 -2  14 o 34.271  5.8482  147.182    46.886   163.597    78.958   138.240    58.272   35.817  9.0746  32.974  7.4578  2.842972       11.74595 
1 1 1 -16 -2  15 o 164.375 4.3705  3287.28    174.314  3205.68    247.193  3367.99    245.846  162.077 6.2856  166.158 6.0979  -4.080856      8.757458 
1 1 1 -16 -2  16 o 315.970 6.8156  12195.51   522.532  12013.18   740.041  12376.79   737.907  312.480 9.7604  317.252 9.5859  -4.771881      13.68047 
1 1 1 -16 -2  17 o 194.205 4.8293  4591.43    227.568  4751.84    322.874  4433.07    320.795  197.247 6.7462  190.479 6.9409  6.768112       9.679203 
1 1 1 -16 -2  18 o 189.249 6.6677  4373.60    306.178  4444.48    413.631  4287.70    455.377  190.279 8.9590  186.335 10.110  3.944336       13.50819 
1 1 1 -16 -2  19 o 121.254 5.4768  1791.61    161.134  1780.57    210.956  1807.08    249.658  120.468 7.2508  121.102 8.5513  -0.6344910     11.21152 
1 1 1 -16 -2  20 o 151.184 6.0057  2787.78    220.311  2951.52    292.731  2573.86    334.581  155.088 7.8040  144.367 9.6063  10.72047       12.37670 
1 1 1 -16 -2  21 o 59.218  3.9635  428.334    56.621   424.205    81.505   432.185    78.717   58.703  5.7979  59.296  5.5352  -0.5921631     8.015860 
1 1 1 -16 -2  22 o ?       ?       -103.0903  26.813   -117.8831  38.525   -89.1925   37.341   8.3964  4.2211  9.0544  4.4894  -0.6580009     6.162218 
1 1 1 -16 -2  23 o 141.702 4.1101  2442.32    141.317  2837.99    200.976  2055.38    198.748  152.604 5.4277  129.767 6.3121  22.83688       8.324844 
1 1 1 -16 -2  24 o 146.578 4.3426  2614.23    154.450  2722.65    220.421  2509.64    216.481  149.377 6.0814  143.396 6.2219  5.981583       8.700304 
1 1 1 -16 -2  25 o 39.162  5.2565  190.191    48.689   202.805    67.994   176.916    69.752   40.115  7.2524  37.305  7.9491  2.810238       10.76040 
1 1 1 -16 -2  26 o 70.634  6.0673  613.352    102.977  593.091    187.108  622.156    123.336  68.252  11.720  70.943  7.2676  -2.690475      13.79086 
1 1 1 -16 -2  27 o 100.033 5.7920  1224.99    139.982  1455.30    238.664  1104.22    172.831  108.377 9.1616  94.641  7.5901  13.73567       11.89727 
1 1 1 -16 -2  28 o 166.436 6.4388  3385.88    260.024  3845.12    406.100  3066.77    338.517  176.343 9.5263  157.630 8.8869  18.71248       13.02798 
1 1 1 -16 -2  29 o 146.361 6.2435  2618.41    221.726  2633.82    354.043  2608.46    284.407  145.593 10.084  145.499 8.0879  0.9385681E-01  12.92679 
1 1 1 -16 -2  30 o 113.924 3.9712  1579.78    109.774  1624.69    156.852  1536.66    153.685  115.344 5.6044  112.026 5.6724  3.317711       7.974046 
1 1 1 -16 -2  31 o 201.033 4.8964  4930.23    238.839  5015.24    340.076  4847.49    335.509  202.201 6.9315  198.783 6.9560  3.418076       9.819992 
1 1 1 -16 -2  32 o 82.035  6.0598  828.614    119.767  535.284    190.045  1021.86    154.252  64.089  12.670  90.927  7.0466  -26.83799      14.49778 
1 1 1 -16 -2  33 f 61.316  4.1882  460.598    61.938   455.094    88.019   465.997    87.174   60.623  6.0651  61.380  5.9269  -0.7565231     8.480237 
1 1 1 -16 -2  34 o 59.121  4.2051  428.721    59.930   429.872    84.957   427.581    84.552   58.866  6.0332  58.710  6.0205  0.1559982      8.523314 
1 1 1 -16 -2  35 o 12.213  5.5193  -18.6940   34.898   -11.3513   48.464   -26.6012   50.293   15.383  6.7529  14.643  6.6209  0.7398081      9.457192 
1 1 1 -16 -2  36 o 125.946 4.1413  1938.99    126.558  1935.15    180.104  1942.73    177.876  125.330 5.9225  125.603 5.8365  -0.2730560     8.315082 
1 1 1 -16 -2  37 o 22.353  6.8009  62.422     40.180   8.9921     55.315   122.102    58.461   18.028  7.5437  30.682  7.8274  -12.65388      10.87090 
1 1 1 -16 -2  38 f 16.136  6.4116  17.637     37.528   -19.7654   49.876   66.444     56.974   14.967  6.6944  23.843  8.1722  -8.876024      10.56414 
1 1 1 -16 -2  39 o 27.332  7.6492  96.624     52.728   93.776     61.471   104.554    102.579  27.187  8.4372  30.211  10.913  -3.024624      13.79385 
1 1 1 -16 -2  40 o 46.341  6.0890  271.126    66.808   234.626    79.457   359.187    123.418  42.465  8.0051  51.916  10.161  -9.451046      12.93573 
1 1 1 -16 -2  41 o 8.6817  4.2599  -61.2082   30.735   -38.3462   39.521   -96.1911   48.888   11.783  5.5178  10.945  5.3709  0.8384733      7.700182 
1 1 1 -16 -2  42 o 43.074  5.6938  234.190    58.050   249.138    89.524   223.345    76.254   43.403  8.8019  41.354  7.8873  2.048561       11.81878 
1 1 1 -16 -2  43 o 16.508  6.8626  10.066     45.352   71.047     76.367   -23.1585   56.369   25.498  9.3841  15.741  7.0731  9.756769       11.75116 
1 1 1 -16 -2  44 o 67.049  4.6429  557.426    75.069   562.714    110.975  552.966    101.929  66.482  6.9839  66.131  6.4337  0.3506165      9.495645 
1 1 1 -16 -2  45 o 38.488  8.2017  196.413    74.250   52.371     182.336  225.048    81.296   31.587  13.478  41.179  8.4204  -9.591860      15.89181 
1 1 1 -16 -2  46 o 75.305  6.4446  719.122    116.622  468.404    236.977  799.249    133.968  54.429  16.507  79.085  7.0555  -24.65677      17.95157 
1 1 1 -16 -2  47 o 21.192  7.3296  53.295     45.879   46.376     72.025   58.020     59.515   22.746  8.9316  22.765  8.2984  -0.1890182E-01 12.19173 
1 1 1 -16 -2  48 o 25.613  7.2485  86.667     47.075   9.6005     73.821   139.484    61.113   20.090  8.5738  32.213  7.8829  -12.12350      11.64694 
1 1 1 -16 -2  49 o 45.834  5.3929  267.007    58.828   201.451    86.419   323.622    80.309   38.073  9.4088  49.889  6.8124  -11.81546      11.61609 
1 1 1 -16 -2  50 o 35.203  6.4644  162.740    53.182   135.300    79.649   184.816    71.440   31.240  9.5890  36.826  8.2051  -5.586052      12.62028 
1 1 1 -16 -2  51 o 19.123  7.7849  25.554     56.775   20.915     70.676   33.994     95.330   20.301  8.5130  23.514  9.8750  -3.212820      13.03794 
1 1 1 -16 -2  52 o 25.962  8.4926  89.938     61.625   47.755     81.170   147.337    94.684   23.192  9.3560  32.140  10.527  -8.947819      14.08414 
1 1 1 -16 -2  53 o 20.536  8.3234  33.281     64.567   17.309     71.249   106.649    152.707  20.019  8.4790  30.821  12.682  -10.80239      15.25553 
1 1 1 -16 -2  54 o 19.735  8.1717  24.221     63.939   49.830     70.595   -92.7065   150.846  22.458  8.8348  22.731  10.688  -0.2735386     13.86647 
1 1 1 -16 -2  55 o 43.823  6.8145  253.867    70.105   219.632    91.306   303.038    109.424  39.176  9.6650  45.901  10.099  -6.724648      13.97874 
1 1 1 -16 -2  56 f 16.240  7.1011  -3.7434    53.126   -49.0706   64.512   91.767     93.646   15.250  7.1109  27.301  10.322  -12.05099      12.53442 
1 1 1 -16 -2  57 o 35.025  11.760  184.814    117.959  -177.6661  316.739  243.183    127.103  29.933  14.452  39.562  12.108  -9.629049      18.85393 
1 1 1 -16 -2  58 o 28.126  10.432  105.240    94.722   317.431    259.329  72.573     101.753  41.021  16.662  26.041  10.486  14.97980       19.68665 
1 1 1 -16 -1  1  o 87.258  3.6831  925.565    77.979   928.528    109.529  922.519    111.045  87.157  5.2029  86.862  5.2940  0.2948380      7.422715 
1 1 1 -16 -1  2  o 165.734 6.2173  3351.41    250.020  3392.74    378.096  3319.30    333.292  165.883 9.4327  164.349 8.3857  1.534180       12.62123 
1 1 1 -16 -1  3  f 146.187 5.8750  2605.98    208.393  2634.73    321.225  2585.09    273.838  146.199 9.1004  145.113 7.8059  1.085739       11.98954 
1 1 1 -16 -1  4  o 72.933  5.2105  651.207    91.600   452.139    156.490  754.962    112.977  59.559  11.241  78.452  5.9801  -18.89256      12.73244 
1 1 1 -16 -1  5  f 26.627  5.2854  89.399     32.943   53.782     49.163   118.422    44.380   22.016  7.5889  30.612  6.1878  -8.595739      9.791810 
1 1 1 -16 -1  6  o 117.832 3.8000  1688.13    108.647  1647.73    154.987  1727.16    152.346  116.277 5.4934  119.068 5.2732  -2.790695      7.614693 
1 1 1 -16 -1  7  o 249.151 5.6255  7566.95    340.086  7789.01    481.895  7346.60    480.020  252.209 7.8746  244.882 8.0786  7.326691       11.28156 
1 1 1 -16 -1  8  o 379.796 7.8722  17662.87   725.455  17951.63   1027.02  17375.32   1024.89  381.150 11.105  374.882 11.267  6.268494       15.81994 
1 1 1 -16 -1  9  o 389.998 8.1571  18637.26   771.901  19182.25   1093.15  18095.30   1090.12  393.777 11.441  382.254 11.753  11.52328       16.40235 
1 1 1 -16 -1  10 o 241.456 7.7579  7137.12    454.510  0.0000     0.0000   7137.12    454.510  ?       ?       241.456 7.7579  0.000000       7.757853 
1 1 1 -16 -1  11 o 106.235 5.2472  1374.88    135.256  0.0000     0.0000   1374.88    135.256  ?       ?       106.235 5.2472  0.000000       5.247168 
1 1 1 -16 -1  12 o 30.686  7.1411  119.698    52.172   0.0000     0.0000   119.698    52.172   ?       ?       30.686  7.1411  0.000000       7.141141 
1 1 1 -16 -1  13 o 75.426  3.9979  693.781    72.907   792.839    112.820  622.752    95.534   80.430  5.8204  71.267  5.5689  9.162933       8.055436 
1 1 1 -16 -1  14 o 150.719 4.2372  2763.29    154.955  2766.98    219.749  2759.64    218.536  150.616 6.0130  150.420 5.9876  0.1963959      8.485744 
1 1 1 -16 -1  15 o 163.209 4.4031  3240.90    174.367  3368.98    247.418  3114.52    245.773  166.179 6.1361  159.750 6.3406  6.428925       8.823526 
1 1 1 -16 -1  16 o 86.771  3.7153  915.317    78.222   967.979    110.953  863.278    110.296  89.001  5.1600  83.998  5.4409  5.003487       7.498578 
1 1 1 -16 -1  17 o 94.829  4.5133  1094.25    103.849  1096.97    123.277  1087.60    192.721  94.736  5.3852  93.800  8.5620  0.9356613      10.11477 
1 1 1 -16 -1  18 o 164.383 6.2238  3296.97    248.241  3455.56    332.454  3097.12    373.200  167.948 8.1582  158.382 9.7587  9.566025       12.71957 
1 1 1 -16 -1  19 o 212.101 7.2326  5499.88    372.223  5764.33    505.173  5185.79    550.554  216.506 9.6163  204.602 11.132  11.90398       14.71016 
1 1 1 -16 -1  20 o 193.177 6.7809  4558.13    317.839  4654.28    429.142  4441.32    473.041  194.681 9.0848  189.576 10.323  5.105209       13.75098 
1 1 1 -16 -1  21 o 247.099 5.7277  7443.84    343.412  7608.24    486.785  7280.96    484.538  249.222 8.0498  243.761 8.1922  5.460999       11.48528 
1 1 1 -16 -1  22 o 34.413  5.5142  147.904    44.489   175.739    64.124   122.072    61.774   37.271  7.3519  31.004  8.1165  6.267435       10.95111 
1 1 1 -16 -1  23 o 193.495 4.9092  4559.08    230.487  5019.45    327.599  4107.82    324.341  202.716 6.6603  183.263 7.2940  19.45358       9.877295 
1 1 1 -16 -1  24 o 97.036  3.8923  1145.06    91.643   1167.65    131.755  1123.88    127.553  97.709  5.5805  95.865  5.5068  1.844711       7.840051 
1 1 1 -16 -1  25 o 161.298 4.4659  3166.52    174.785  3238.12    249.282  3097.29    245.137  162.852 6.3086  159.265 6.3434  3.586349       8.946384 
1 1 1 -16 -1  26 o 136.882 5.9510  2286.59    197.651  2698.20    318.789  2029.56    251.914  147.893 8.9255  128.386 8.1287  19.50760       12.07225 
1 1 1 -16 -1  27 o 36.393  7.9257  168.640    68.005   -177.8842  151.860  255.563    76.058   22.220  10.530  45.151  7.1831  -22.93061      12.74674 
1 1 1 -16 -1  28 o 9.8723  4.8937  -105.0985  44.270   -327.6234  118.033  -68.6703   47.757   15.183  7.5989  11.939  5.7257  3.244041       9.514535 
1 1 1 -16 -1  29 o 71.753  4.0466  628.638    70.165   559.392    100.146  695.402    98.335   67.368  6.1960  75.298  5.4184  -7.930222      8.231058 
1 1 1 -16 -1  30 o 61.038  4.2101  455.879    61.972   485.232    89.488   428.828    85.906   62.726  5.9509  58.908  6.0985  3.818077       8.520900 
1 1 1 -16 -1  31 o 76.070  3.9894  706.658    73.378   777.845    104.987  638.674    102.599  79.600  5.4689  72.013  5.9243  7.586960       8.062670 
1 1 1 -16 -1  32 o ?       ?       -172.7568  24.274   -126.2677  30.661   -250.8161  39.731   ?       ?       ?       ?       0.000000       ?        
1 1 1 -16 -1  33 o 77.636  3.9476  736.703    74.117   729.094    106.302  743.901    103.394  76.916  5.7372  77.743  5.5170  -0.8262711     7.959400 
1 1 1 -16 -1  34 o 90.164  3.9284  991.773    85.944   938.864    122.499  1043.06    120.609  87.251  5.8196  92.081  5.4221  -4.829819      7.954073 
1 1 1 -16 -1  35 o 29.522  6.4187  111.557    44.667   170.135    64.062   56.138     62.312   36.395  7.5037  23.280  8.4904  13.11454       11.33106 
1 1 1 -16 -1  36 o 53.598  4.4228  354.027    57.005   364.811    81.711   343.802    79.567   53.979  6.3608  52.372  6.3942  1.606941       9.019156 
1 1 1 -16 -1  37 o 73.652  4.0387  665.660    71.901   676.693    103.603  655.409    99.866   73.813  5.8321  72.671  5.7096  1.142075       8.161644 
1 1 1 -16 -1  38 o 68.242  5.4300  578.055    89.167   560.344    108.831  614.223    155.520  66.750  6.8150  68.799  9.5759  -2.048576      11.75339 
1 1 1 -16 -1  39 o 34.174  7.4948  152.033    60.436   154.896    72.109   145.274    110.793  34.278  8.6653  33.845  11.397  0.4324875      14.31719 
1 1 1 -16 -1  40 o 26.285  7.9762  88.424     55.318   46.415     65.221   196.124    104.429  22.391  8.5784  38.124  10.798  -15.73360      13.79102 
1 1 1 -16 -1  41 o 48.267  4.9259  290.418    56.881   238.586    88.829   326.444    74.056   42.441  8.9096  50.850  6.1253  -8.409012      10.81209 
1 1 1 -16 -1  42 o 75.421  4.3721  702.294    79.666   760.524    116.358  650.914    109.302  77.823  6.2139  71.917  6.3282  5.906479       8.868950 
1 1 1 -16 -1  43 o 69.922  4.4542  604.725    75.176   640.171    110.024  573.687    102.957  71.227  6.4357  67.427  6.3684  3.800476       9.054017 
1 1 1 -16 -1  44 o 18.099  7.8736  -5.2919    64.585   372.664    166.833  -71.9183   70.046   50.837  13.353  15.324  7.2285  35.51313       15.18388 
1 1 1 -16 -1  45 o 23.780  8.5288  64.700     62.536   24.668     169.244  71.030     67.299   29.497  12.789  24.750  8.8507  4.746572       15.55266 
1 1 1 -16 -1  46 o 28.539  7.7419  108.056    54.971   122.459    77.344   93.355     78.142   30.343  9.4718  27.459  9.5617  2.883898       13.45888 
1 1 1 -16 -1  47 o 25.087  7.4577  82.408     48.728   91.319     74.905   75.870     64.160   27.007  9.3640  24.905  8.6646  2.101549       12.75772 
1 1 1 -16 -1  48 o 60.633  4.7580  460.241    69.438   503.684    100.783  420.983    95.806   62.505  6.7525  56.919  7.0907  5.586094       9.791534 
1 1 1 -16 -1  49 o 28.289  7.2217  107.207    49.740   29.287     75.411   167.211    66.176   21.525  8.8904  35.151  7.9457  -13.62597      11.92364 
1 1 1 -16 -1  50 o 23.430  7.5788  71.122     49.143   58.853     73.122   81.229     66.366   23.587  9.0721  25.304  8.8118  -1.716904      12.64717 
1 1 1 -16 -1  51 o 35.037  7.8088  167.342    64.689   101.588    87.897   245.044    95.550   27.989  10.103  41.537  9.6626  -13.54827      13.97968 
1 1 1 -16 -1  52 o 22.232  8.1225  58.101     57.065   104.226    72.902   -14.8747   91.698   27.724  9.2451  20.320  9.0838  7.403284       12.96099 
1 1 1 -16 -1  53 o 30.086  9.4877  126.981    77.391   137.956    87.709   88.395     164.454  31.180  10.128  30.407  12.881  0.7731400      16.38577 
1 1 1 -16 -1  54 o 57.070  6.8428  427.966    92.868   372.416    105.972  611.831    192.795  52.007  8.7054  62.697  13.096  -10.69035      15.72505 
1 1 1 -16 -1  55 o 20.491  8.1210  37.779     60.061   44.166     74.571   25.985     101.332  22.346  8.9841  23.416  10.021  -1.070297      13.45827 
1 1 1 -16 -1  56 o 70.450  4.9995  628.321    84.907   457.811    112.737  851.810    129.068  58.050  8.2346  80.847  6.6381  -22.79671      10.57701 
1 1 1 -16 -1  57 o 25.947  10.018  79.219     89.420   -28.3203   214.560  101.823    98.370   28.393  13.146  28.095  10.590  0.2976513      16.88101 
1 1 1 -16 -1  58 o 33.920  14.746  148.484    226.219  148.484    226.219  0.0000     0.0000   33.920  14.746  ?       ?       0.000000       14.74586 
1 1 1 -16 0   1  o 43.977  5.8573  239.912    60.946   314.228    121.290  214.811    70.492   49.600  10.410  41.318  7.2981  8.281132       12.71343 
1 1 1 -16 0   2  o 22.226  7.1786  58.593     44.102   119.199    99.840   43.900     49.158   32.103  10.819  20.846  7.5505  11.25768       13.19326 
1 1 1 -16 0   3  o 28.298  6.7007  101.712    45.298   -23.7375   96.755   136.927    51.262   21.725  9.5392  32.904  6.6494  -11.17918      11.62803 
1 1 1 -16 0   4  o 78.250  5.1641  749.030    97.499   815.465    164.847  713.288    120.915  81.119  8.5015  76.148  6.6098  4.971542       10.76871 
1 1 1 -16 0   5  o 56.943  3.7557  395.926    51.601   352.575    74.365   436.181    71.659   53.461  5.8272  59.642  4.9978  -6.181068      7.676863 
1 1 1 -16 0   6  o 71.374  3.6460  620.877    62.932   604.905    90.021   636.144    88.013   70.264  5.3196  72.098  5.0631  -1.833977      7.343939 
1 1 1 -16 0   7  o 150.620 4.0855  2759.23    149.310  2853.52    211.872  2666.21    210.447  152.990 5.7075  147.863 5.8657  5.126923       8.184223 
1 1 1 -16 0   8  o 313.776 6.8073  12027.79   518.272  12965.60   733.797  11094.32   732.100  324.803 9.3109  300.132 10.053  24.67120       13.70239 
1 1 1 -16 0   9  o 149.720 4.7552  2728.77    172.747  3077.38    293.266  2543.54    213.770  158.576 7.6219  144.391 6.1016  14.18448       9.763299 
1 1 1 -16 0   10 o 73.475  5.1367  660.720    91.000   0.0000     0.0000   660.720    91.000   ?       ?       73.475  5.1367  0.000000       5.136670 
1 1 1 -16 0   11 o 54.811  5.4988  369.751    72.145   0.0000     0.0000   369.751    72.145   ?       ?       54.811  5.4988  0.000000       5.498814 
1 1 1 -16 0   12 o 79.459  3.8771  767.698    74.751   902.824    112.914  662.272    99.736   85.904  5.4453  73.497  5.6356  12.40743       7.836520 
1 1 1 -16 0   13 o 30.459  6.0451  117.115    43.101   114.144    68.185   119.092    55.623   30.202  8.7797  30.601  7.5401  -0.3989964     11.57309 
1 1 1 -16 0   14 o 28.543  5.6620  102.777    37.828   141.382    54.590   67.115     52.468   33.406  6.9607  23.907  7.8370  9.498508       10.48190 
1 1 1 -16 0   15 o 48.938  4.1537  293.377    48.857   278.733    69.322   307.830    68.869   47.407  6.1730  49.918  5.7937  -2.511093      8.465954 
1 1 1 -16 0   16 o 26.646  6.0511  90.043     38.231   78.975     54.961   100.418    53.214   25.517  7.9876  28.180  7.6058  -2.663546      11.02948 
1 1 1 -16 0   17 o 291.070 9.2344  10407.31   652.184  11386.64   899.178  9320.20    947.363  303.047 12.228  272.719 14.367  30.32822       18.86666 
1 1 1 -16 0   18 o 194.006 6.8426  4597.77    322.108  4795.63    434.276  4355.79    480.244  197.630 9.0563  187.655 10.590  9.974197       13.93463 
1 1 1 -16 0   19 o 133.864 5.7455  2184.59    186.619  2326.38    245.582  1990.83    287.091  137.732 7.3752  126.945 9.3871  10.78725       11.93782 
1 1 1 -16 0   20 o 69.827  3.8433  594.623    64.867   665.753    91.712   523.419    91.759   73.754  5.1572  65.259  5.8572  8.495277       7.804098 
1 1 1 -16 0   21 o ?       ?       -162.9078  29.803   -96.1592   38.928   -257.4323  46.325   9.1364  4.5392  ?       ?       0.000000       4.539159 
1 1 1 -16 0   22 o 97.854  3.8423  1164.30    91.229   1149.59    129.730  1178.69    128.317  96.962  5.5371  98.203  5.4060  -1.240967      7.738461 
1 1 1 -16 0   23 o 117.310 4.0319  1673.76    114.765  1685.51    163.480  1662.35    161.150  117.570 5.7306  116.764 5.6880  0.8061829      8.074203 
1 1 1 -16 0   24 o 13.662  5.9512  -7.1008    36.999   -10.1051   53.608   -4.3678    51.129   16.437  7.1617  16.460  7.0827  -0.2289391E-01 10.07244 
1 1 1 -16 0   25 f 183.344 6.7193  4108.28    298.921  4365.28    458.988  3918.99    393.912  187.867 10.106  178.293 9.1362  9.574158       13.62365 
1 1 1 -16 0   26 o 50.144  6.8477  313.037    81.137   358.630    163.443  298.127    93.468   52.611  12.902  48.648  8.2106  3.963062       15.29293 
1 1 1 -16 0   27 o 105.182 5.8498  1354.54    148.705  1394.24    251.310  1333.14    184.464  105.837 9.9011  104.071 7.3523  1.766380       12.33238 
1 1 1 -16 0   28 o 103.438 4.4672  1303.01    112.119  1374.85    143.164  1189.05    180.306  105.993 5.5864  98.168  7.6296  7.824982       9.456138 
1 1 1 -16 0   29 o 18.078  6.8284  28.952     40.956   45.295     61.963   16.271     54.578   22.327  8.4068  18.699  7.6249  3.627739       11.34959 
1 1 1 -16 0   30 o 44.181  4.9180  241.016    51.826   259.114    76.366   225.564    70.564   45.415  7.1678  42.315  7.1258  3.099945       10.10712 
1 1 1 -16 0   31 o 206.028 5.0035  5182.96    250.132  5428.68    356.213  4943.94    351.318  210.219 6.9835  200.528 7.2204  9.690567       10.04508 
1 1 1 -16 0   32 o 133.653 4.1314  2178.04    133.979  2205.26    191.958  2152.19    187.085  134.138 5.8978  132.532 5.8177  1.605698       8.284328 
1 1 1 -16 0   33 o 56.622  4.2841  393.558    58.423   394.728    83.204   392.420    82.054   56.354  6.1868  56.202  6.1158  0.1518631      8.699378 
1 1 1 -16 0   34 o 50.846  4.4070  318.312    53.832   376.196    76.708   262.138    75.566   55.030  5.8338  45.543  7.0672  9.486885       9.164001 
1 1 1 -16 0   35 o 186.502 4.8159  4262.66    217.932  4354.15    310.743  4174.10    305.723  187.544 6.8286  183.608 6.8623  3.936569       9.681015 
1 1 1 -16 0   36 o 28.845  6.1834  106.628    41.977   186.309    59.956   30.013     58.791   38.242  6.7060  20.323  8.0409  17.91851       10.47029 
1 1 1 -16 0   37 o 46.156  4.6169  263.995    51.012   265.595    72.845   262.455    71.460   45.762  6.7642  45.513  6.6686  0.2489090      9.498672 
1 1 1 -16 0   38 o 120.843 5.7468  1807.12    168.504  1947.23    215.183  1584.99    270.938  124.588 7.1481  110.471 10.224  14.11715       12.47478 
1 1 1 -16 0   39 o 30.427  7.6200  121.021    56.134   155.284    65.520   26.466     108.843  34.410  7.9992  25.221  10.570  9.188684       13.25550 
1 1 1 -16 0   40 o 20.488  6.7540  50.623     38.949   47.220     57.847   53.445     52.680   21.737  8.1348  21.935  7.8320  -0.1977711     11.29230 
1 1 1 -16 0   41 o 101.091 4.2696  1256.56    104.729  1372.61    150.842  1148.55    145.520  104.844 5.9540  95.714  6.3012  9.130714       8.669197 
1 1 1 -16 0   42 o 57.669  4.7381  413.049    65.714   523.258    98.620   325.040    88.129   64.381  6.3978  50.225  7.4581  14.15665       9.826252 
1 1 1 -16 0   43 o 11.585  5.4154  -35.4181   37.784   -56.7289   66.301   -25.1681   45.982   15.454  7.2071  13.833  6.2850  1.620881       9.562632 
1 1 1 -16 0   44 o ?       ?       -158.2779  39.529   -303.2794  144.148  -146.4870  41.105   17.898  8.8647  8.1084  4.1078  9.789749       9.770256 
1 1 1 -16 0   45 o 11.304  5.4161  -57.6234   42.510   -350.0415  156.079  -34.1933   44.180   18.144  9.0264  12.898  5.9697  5.245770       10.82190 
1 1 1 -16 0   46 o 16.097  6.7649  7.5260     44.789   -36.1960   70.246   37.477     58.140   16.958  7.7292  20.603  8.0433  -3.645050      11.15511 
1 1 1 -16 0   47 o 24.935  7.5262  81.400     49.349   205.604    76.930   -5.4468    64.328   39.049  8.3708  17.900  7.8208  21.14966       11.45575 
1 1 1 -16 0   48 o 25.784  7.4748  88.282     49.484   178.069    76.602   23.980     64.826   36.001  8.8352  20.037  8.2560  15.96359       12.09226 
1 1 1 -16 0   49 o 20.524  7.2335  49.813     44.796   -14.5579   71.921   90.615     57.260   18.211  8.0995  26.105  8.1499  -7.893688      11.49006 
1 1 1 -16 0   50 o 56.988  5.5310  414.213    75.517   560.043    102.515  241.193    111.664  65.751  6.5113  40.482  11.056  25.26860       12.83091 
1 1 1 -16 0   51 o 33.621  7.8868  154.908    63.228   164.631    82.017   140.664    99.268   34.005  9.5480  31.580  10.787  2.425535       14.40594 
1 1 1 -16 0   52 o 40.780  7.0475  221.761    67.212   336.142    86.974   52.182     105.900  50.209  7.3574  25.290  10.498  24.91886       12.81931 
1 1 1 -16 0   53 o 24.107  8.9067  69.559     68.907   26.284     77.982   223.716    147.183  21.323  8.9421  37.848  13.126  -16.52427      15.88235 
1 1 1 -16 0   54 o 57.817  5.4726  427.153    75.861   387.791    98.324   485.046    119.244  53.737  7.7662  59.673  8.4736  -5.935585      11.49416 
1 1 1 -16 0   55 o 14.786  6.7208  -24.3935   52.654   6.7408     63.679   -91.6928   93.623   18.403  7.9113  17.288  8.2146  1.114929       11.40470 
1 1 1 -16 0   56 o 117.150 7.5018  1820.04    212.122  1213.95    393.219  2068.81    251.921  75.127  20.840  123.524 8.4561  -48.39679      22.49051 
1 1 1 -16 0   57 o 32.750  14.395  110.456    220.835  110.456    220.835  0.0000     0.0000   32.750  14.395  ?       ?       0.000000       14.39488 
1 1 1 -16 1   1  o 170.889 6.3366  3563.92    262.746  3613.02    396.751  3525.56    350.660  171.155 9.5922  169.346 8.5617  1.808609       12.85738 
1 1 1 -16 1   2  o 151.329 6.0098  2793.18    220.672  2779.79    338.070  2803.11    291.284  150.126 9.3270  151.088 7.9738  -0.9618225     12.27082 
1 1 1 -16 1   3  o 74.705  5.2022  683.048    93.709   498.370    157.512  784.224    116.586  62.720  10.736  79.956  6.0543  -17.23663      12.32559 
1 1 1 -16 1   4  o 17.079  6.0321  30.939     31.168   114.726    46.704   -36.3371   41.850   30.076  6.5826  12.493  5.7921  17.58286       8.768048 
1 1 1 -16 1   5  o 117.366 4.2917  1675.80    122.219  1738.82    154.755  1571.32    199.245  119.463 5.3388  113.125 7.2977  6.338135       9.042134 
1 1 1 -16 1   6  o 250.803 5.6574  7668.03    344.279  7730.31    486.672  7605.65    487.097  251.225 7.9838  249.169 8.0567  2.055603       11.34247 
1 1 1 -16 1   7  o 400.503 8.3597  19664.44   812.386  20783.16   1148.88  18545.71   1148.89  409.804 11.554  386.648 12.246  23.15588       16.83642 
1 1 1 -16 1   8  o 396.525 8.2721  19271.66   795.883  20493.93   1125.56  18049.43   1125.54  407.050 11.396  381.498 12.159  25.55209       16.66483 
1 1 1 -16 1   9  o 245.209 7.8536  7362.32    467.273  0.0000     0.0000   7362.32    467.273  ?       ?       245.209 7.8536  0.000000       7.853621 
1 1 1 -16 1   10 o 107.906 5.3097  1418.59    139.020  0.0000     0.0000   1418.59    139.020  ?       ?       107.906 5.3097  0.000000       5.309682 
1 1 1 -16 1   11 o 23.200  7.2042  65.428     44.810   73.149     112.379  63.968     48.863   29.363  11.258  23.262  7.5599  6.100267       13.56068 
1 1 1 -16 1   12 o 80.223  3.9672  782.611    77.222   966.989    116.644  638.745    103.035  88.918  5.4324  72.129  5.9400  16.78873       8.049563 
1 1 1 -16 1   13 o 150.332 4.2768  2749.26    156.005  2877.83    220.804  2621.12    220.445  153.616 5.9239  146.568 6.1986  7.047455       8.574121 
1 1 1 -16 1   14 o 159.816 4.3662  3107.39    169.313  3136.76    239.725  3078.16    239.165  160.346 6.1616  158.835 6.2057  1.511353       8.745016 
1 1 1 -16 1   15 o 79.945  3.7386  776.989    72.522   789.174    103.141  765.074    101.992  80.311  5.3231  79.066  5.3478  1.244469       7.545440 
1 1 1 -16 1   16 o 100.347 5.3588  1230.25    130.005  1300.83    167.298  1122.66    206.554  102.990 6.7318  95.210  9.0498  7.779854       11.27901 
1 1 1 -16 1   17 o 159.745 6.1004  3112.85    236.455  3062.62    314.004  3178.65    359.364  157.892 8.2246  160.598 9.2614  -2.705917      12.38623 
1 1 1 -16 1   18 o 209.271 7.1502  5353.18    363.072  5471.43    490.918  5210.40    539.427  210.941 9.5915  205.185 10.874  5.755447       14.49939 
1 1 1 -16 1   19 o 188.819 5.3410  4343.66    244.698  4232.90    407.828  4405.97    305.874  185.667 9.0527  189.952 6.6364  -4.284698      11.22468 
1 1 1 -16 1   20 o 239.182 5.5270  6972.13    320.761  7051.34    454.358  6893.43    452.895  239.997 7.8024  237.277 7.8664  2.720032       11.07962 
1 1 1 -16 1   21 o 38.790  5.0924  186.369    46.771   150.707    64.859   225.007    67.510   34.405  7.9317  42.400  6.7913  -7.994499      10.44191 
1 1 1 -16 1   22 o 191.437 4.8135  4461.96    223.588  4507.88    316.853  4416.42    315.554  192.081 6.7984  190.114 6.8406  1.966843       9.644316 
1 1 1 -16 1   23 o 94.181  3.8459  1078.62    87.887   1098.56    127.057  1060.33    121.697  94.769  5.5496  93.119  5.4094  1.650421       7.749882 
1 1 1 -16 1   24 o 156.962 4.4026  2998.29    167.676  2982.00    238.699  3014.16    235.590  156.281 6.2948  157.139 6.1788  -0.8586731     8.820563 
1 1 1 -16 1   25 o 137.717 5.9591  2314.61    199.129  2667.32    320.134  2092.03    254.314  147.016 9.0179  130.365 8.0796  16.65074       12.10796 
1 1 1 -16 1   26 o 44.628  7.1628  249.756    74.940   30.770     156.239  315.193    85.406   30.569  12.725  50.245  7.2122  -19.67586      14.62689 
1 1 1 -16 1   27 o 36.612  8.0317  170.859    69.388   129.373    143.157  183.598    79.330   35.295  12.870  37.888  8.7980  -2.593365      15.58942 
1 1 1 -16 1   28 o 72.549  4.0213  642.557    70.511   726.782    101.871  565.096    97.695   76.976  5.4902  67.745  6.0056  9.230919       8.136932 
1 1 1 -16 1   29 o 65.276  4.1669  520.988    65.655   588.445    96.049   461.826    89.950   69.158  5.7768  61.147  6.1459  8.010624       8.434605 
1 1 1 -16 1   30 o 85.782  4.7907  900.463    99.317   843.216    117.826  1040.96    184.586  82.815  5.9023  91.482  8.4098  -8.667328      10.27437 
1 1 1 -16 1   31 o ?       ?       -127.3698  21.249   -100.9192  30.489   -152.3532  29.631   7.2384  3.6534  ?       ?       0.000000       3.653401 
1 1 1 -16 1   32 o 84.312  3.9303  866.612    80.405   918.175    115.644  818.360    111.870  86.404  5.5453  81.522  5.6912  4.881813       7.946095 
1 1 1 -16 1   33 o 88.047  3.9218  945.732    83.785   983.122    120.166  910.357    116.881  89.352  5.5703  85.954  5.6354  3.398178       7.923739 
1 1 1 -16 1   34 o 20.600  6.7473  50.528     38.895   45.313     56.026   55.381     54.039   21.561  8.0182  22.464  7.9419  -0.9036579     11.28557 
1 1 1 -16 1   35 o 53.976  4.2692  358.624    55.457   365.076    80.346   352.752    76.642   54.028  6.2439  53.145  6.0513  0.8827248      8.695077 
1 1 1 -16 1   36 o 72.092  4.0507  637.895    70.569   747.706    101.332  534.484    98.335   77.734  5.4061  65.423  6.2714  12.31044       8.279902 
1 1 1 -16 1   37 o 66.862  5.4772  555.277    88.080   482.550    107.328  705.284    154.142  61.730  7.3075  74.183  8.7306  -12.45348      11.38523 
1 1 1 -16 1   38 o 23.668  7.7919  68.217     51.845   114.996    60.098   -67.8785   102.509  29.683  8.1128  19.901  9.1694  9.781618       12.24316 
1 1 1 -16 1   39 o 21.118  7.6340  48.083     50.215   40.522     57.837   71.234     101.202  21.081  8.0779  27.458  10.642  -6.376699      13.36022 
1 1 1 -16 1   40 o 47.397  5.1312  280.782    58.069   392.019    91.172   204.857    75.323   55.506  6.9198  39.508  8.1286  15.99821       10.67509 
1 1 1 -16 1   41 o 86.705  4.3237  924.940    90.963   1001.90    132.650  856.632    124.975  89.412  6.1517  82.588  6.2836  6.823364       8.793609 
1 1 1 -16 1   42 o 70.393  4.4931  613.083    76.343   666.402    112.045  566.880    104.301  72.688  6.4187  66.967  6.5009  5.720932       9.135743 
1 1 1 -16 1   43 o 26.520  8.9325  87.273     68.057   459.480    174.265  20.288     73.928   56.813  12.932  21.064  8.7597  35.74884       15.61936 
1 1 1 -16 1   44 o 50.068  7.4688  325.070    87.960   282.528    196.039  335.793    98.424   43.986  15.155  50.532  8.3168  -6.545673      17.28667 
1 1 1 -16 1   45 o 19.224  7.6696  27.628     53.898   116.658    74.854   -68.2309   77.671   29.691  9.3262  16.501  7.7297  13.18961       12.11304 
1 1 1 -16 1   46 o 29.777  7.5679  118.286    54.795   137.084    79.016   100.873    76.051   31.760  9.5093  27.995  9.4425  3.764238       13.40108 
1 1 1 -16 1   47 o 53.224  5.6251  359.713    71.544   406.732    98.546   307.311    104.034  55.733  7.4757  47.342  9.3882  8.390972       12.00102 
1 1 1 -16 1   48 o 27.567  8.0317  102.250    57.005   133.579    77.444   65.203     84.214   31.134  9.4351  25.017  9.7041  6.117117       13.53481 
1 1 1 -16 1   49 o 13.441  6.2580  -39.8988   49.666   -12.8423   66.213   -74.7047   75.099   17.541  7.7878  15.689  7.4263  1.851586       10.76108 
1 1 1 -16 1   50 o 38.254  7.1886  195.734    64.274   216.151    83.336   165.757    100.979  39.348  8.9328  33.851  10.855  5.496456       14.05795 
1 1 1 -16 1   51 o 20.247  8.0056  37.039     58.240   57.996     75.655   6.5542     91.248   23.548  9.1800  21.411  9.3357  2.136812       13.09309 
1 1 1 -16 1   52 o 19.588  8.3715  12.253     70.557   -56.0094   81.287   220.837    142.092  17.180  8.0013  37.687  12.906  -20.50642      15.18498 
1 1 1 -16 1   53 o 49.717  7.4138  330.200    86.701   292.974    100.085  442.135    173.553  45.582  9.3625  52.509  13.536  -6.927174      16.45828 
1 1 1 -16 1   54 o 15.628  7.0193  -17.8619   55.443   -13.8059   67.835   -26.0226   96.222   17.605  7.8455  20.244  9.1553  -2.639454      12.05698 
1 1 1 -16 1   55 o 68.820  5.0708  600.469    84.079   620.214    111.492  574.433    128.026  68.825  6.7637  65.049  8.3006  3.776016       10.70737 
1 1 1 -16 1   56 f 50.666  17.514  514.021    261.936  514.021    261.936  0.0000     0.0000   50.666  17.514  ?       ?       0.000000       17.51390 
1 1 1 -16 1   57 o 16.942  8.5380  -425.6220  162.833  -425.6220  162.833  0.0000     0.0000   16.942  8.5380  ?       ?       0.000000       8.537975 
1 1 1 -16 2   1  o 157.714 6.0344  3033.94    230.922  3203.71    349.633  2902.58    307.547  161.304 8.9685  153.683 8.2780  7.621201       12.20494 
1 1 1 -16 2   2  o 34.063  6.0201  145.672    47.936   314.918    125.560  116.795    51.865   49.599  10.744  30.310  7.1652  19.28931       12.91397 
1 1 1 -16 2   3  o 63.274  3.6631  488.312    55.998   453.814    79.821   521.746    78.579   60.782  5.4709  65.268  4.9999  -4.485565      7.411469 
1 1 1 -16 2   4  o 116.253 3.8388  1643.24    108.283  1665.40    153.765  1621.44    152.514  116.906 5.4207  115.350 5.4491  1.555977       7.686158 
1 1 1 -16 2   5  o 173.055 4.5065  3644.39    189.228  3800.91    267.956  3488.69    267.263  176.483 6.2575  169.037 6.5162  7.445419       9.034162 
1 1 1 -16 2   6  o 192.086 4.7932  4491.85    223.401  4974.85    317.752  4019.73    314.154  201.861 6.4874  181.331 7.1401  20.52989       9.647161 
1 1 1 -16 2   7  o 125.549 3.9707  1916.86    120.960  1998.29    173.850  1840.46    168.407  128.039 5.5959  122.873 5.6486  5.165756       7.951143 
1 1 1 -16 2   8  f 184.229 6.5004  4143.85    290.576  0.0000     0.0000   4143.85    290.576  ?       ?       184.229 6.5004  0.000000       6.500365 
1 1 1 -16 2   9  f 170.049 6.2950  3529.11    259.739  0.0000     0.0000   3529.11    259.739  ?       ?       170.049 6.2950  0.000000       6.295040 
1 1 1 -16 2   10 o 113.170 5.3688  1560.54    147.425  0.0000     0.0000   1560.54    147.425  ?       ?       113.170 5.3688  0.000000       5.368765 
1 1 1 -16 2   11 o 72.866  4.0819  647.756    71.878   760.979    110.810  565.512    94.442   78.785  5.8381  67.860  5.7911  10.92492       8.223178 
1 1 1 -16 2   12 o 33.537  5.1018  140.073    40.207   98.484     56.930   181.461    56.792   28.017  7.9859  38.053  6.3764  -10.03579      10.21927 
1 1 1 -16 2   13 o 158.705 4.3129  3064.17    166.083  3119.65    235.111  3008.92    234.644  159.921 6.0590  157.043 6.1578  2.877777       8.638892 
1 1 1 -16 2   14 o 316.240 6.7806  12215.50   520.295  12272.09   735.932  12158.95   735.683  315.901 9.6011  314.423 9.6430  1.477997       13.60768 
1 1 1 -16 2   15 o 193.345 6.7621  4565.83    317.232  4481.04    425.515  4671.93    475.983  191.003 9.1815  194.522 10.120  -3.519363      13.66398 
1 1 1 -16 2   16 o 194.262 6.7841  4609.39    319.772  4535.41    429.232  4701.65    479.362  192.153 9.2062  195.129 10.160  -2.976563      13.71036 
1 1 1 -16 2   17 o 114.766 5.5251  1605.12    153.858  1659.02    198.170  1523.33    244.122  116.303 7.0557  111.010 9.1446  5.293556       11.55013 
1 1 1 -16 2   18 o 138.629 5.8141  2343.18    195.570  2460.60    256.916  2181.38    301.575  141.633 7.5026  132.903 9.4127  8.729706       12.03699 
1 1 1 -16 2   19 o 60.526  3.9875  447.417    58.232   416.546    81.715   479.270    83.005   58.155  5.8713  62.469  5.5334  -4.313538      8.067940 
1 1 1 -16 2   20 o ?       ?       -148.5845  28.026   -230.8584  40.913   -75.8421   38.470   ?       ?       9.7948  4.7978  0.000000       4.797786 
1 1 1 -16 2   21 o 137.178 3.9821  2288.52    132.544  2065.17    187.596  2511.16    187.296  130.120 5.9417  143.554 5.3771  -13.43358      8.013597 
1 1 1 -16 2   22 o 141.730 4.3596  2444.23    149.926  2384.39    211.462  2504.71    212.597  139.769 6.2353  143.269 6.1156  -3.499420      8.733821 
1 1 1 -16 2   23 o 40.503  5.6296  203.811    53.830   208.531    73.701   198.415    78.809   40.603  7.7638  39.477  8.4805  1.126114       11.49763 
1 1 1 -16 2   24 o 67.701  6.7257  565.598    109.022  452.077    181.729  629.426    136.266  59.128  13.019  71.216  8.0258  -12.08791      15.29414 
1 1 1 -16 2   25 o 97.346  6.2353  1161.96    146.503  1030.63    234.138  1246.47    187.811  90.649  10.861  100.554 7.7576  -9.904892      13.34718 
1 1 1 -16 2   26 o 170.329 6.5073  3546.71    268.939  4064.19    415.493  3173.56    352.820  181.327 9.4765  160.290 9.1092  21.03656       13.14464 
1 1 1 -16 2   27 o 151.395 4.3954  2791.11    161.465  2843.33    229.351  2739.79    227.353  152.525 6.1972  149.712 6.2587  2.813705       8.807720 
1 1 1 -16 2   28 o 114.746 3.9962  1602.72    111.263  1596.09    158.861  1609.10    155.880  114.162 5.7535  114.790 5.5966  -0.6279984     8.026448 
1 1 1 -16 2   29 o 197.248 5.7534  4756.31    275.363  4794.99    332.570  4671.99    491.059  197.710 6.9325  193.527 10.497  4.183365       12.57945 
1 1 1 -16 2   30 o 79.418  3.9556  768.313    76.224   829.716    109.418  710.418    106.246  82.192  5.5185  75.973  5.8075  6.218773       8.011344 
1 1 1 -16 2   31 o 63.878  4.2189  499.802    65.022   467.045    94.032   529.818    90.011   61.350  6.4115  65.524  5.7188  -4.173580      8.591400 
1 1 1 -16 2   32 o 57.781  4.2178  409.625    58.725   418.167    84.887   401.784    81.327   58.031  6.1209  56.901  5.9800  1.130081       8.557233 
1 1 1 -16 2   33 o 26.135  6.5287  87.501     41.280   77.780     59.763   96.372     57.087   25.449  8.3651  27.559  8.0398  -2.109638      11.60232 
1 1 1 -16 2   34 o 119.080 4.1029  1733.12    118.547  1765.34    169.191  1702.06    166.151  119.734 5.8237  117.568 5.8244  2.165939       8.236391 
1 1 1 -16 2   35 o 14.975  6.2402  6.4841     37.627   76.634     56.036   -51.1164   50.777   25.019  8.0929  13.275  6.2283  11.74435       10.21207 
1 1 1 -16 2   36 o 14.595  6.1342  4.2903     36.830   -47.6547   51.282   59.623     52.928   13.530  6.3195  22.764  7.8726  -9.233691      10.09521 
1 1 1 -16 2   37 o 15.983  6.8099  1.5158     46.431   36.036     53.284   -107.3774  94.637   20.180  7.7485  17.449  8.2817  2.731077       11.34127 
1 1 1 -16 2   38 o 44.320  6.4418  249.499    67.246   208.125    79.774   351.080    124.999  39.783  8.5209  51.202  10.416  -11.41879      13.45712 
1 1 1 -16 2   39 o 17.618  6.7277  27.791     40.032   66.234     51.365   -31.6898   63.892   23.345  7.7591  16.430  7.4426  6.915171       10.75156 
1 1 1 -16 2   40 o 36.976  6.8391  176.549    59.099   181.614    83.464   171.455    83.694   36.827  9.3297  35.769  9.4877  1.057899       13.30636 
1 1 1 -16 2   41 o 25.119  8.2853  78.227     58.609   83.780     80.500   71.963     85.498   26.925  9.6745  26.233  9.8756  0.6924877      13.82473 
1 1 1 -16 2   42 o 78.059  4.7279  755.252    89.126   712.126    124.418  800.706    127.734  74.887  6.9256  79.561  6.6785  -4.673782      9.621135 
1 1 1 -16 2   43 o 40.260  9.7713  220.477    94.488   93.360     183.910  266.064    110.135  33.497  13.863  44.005  10.467  -10.50882      17.37113 
1 1 1 -16 2   44 o 77.107  7.0497  760.056    130.436  569.572    240.527  839.410    155.245  60.424  16.111  80.449  8.0615  -20.02514      18.01524 
1 1 1 -16 2   45 o 14.199  6.5377  -35.2630   51.985   -11.9195   70.234   -63.5485   77.312   18.327  8.0843  16.626  7.7633  1.701218       11.20825 
1 1 1 -16 2   46 o 22.915  7.9926  63.232     54.610   136.110    75.903   -14.9793   78.631   31.588  9.2864  19.151  8.4956  12.43655       12.58620 
1 1 1 -16 2   47 o 45.729  5.9737  268.474    64.699   242.430    88.346   298.597    95.014   42.071  8.9306  46.959  8.6578  -4.887589      12.43841 
1 1 1 -16 2   48 o 39.904  6.6518  208.838    62.138   121.635    85.980   304.180    89.904   29.944  10.040  47.581  8.0758  -17.63777      12.88517 
1 1 1 -16 2   49 o 21.420  8.2462  46.684     60.456   8.5664     79.538   98.837     93.035   20.423  8.8108  28.010  10.349  -7.586994      13.59168 
1 1 1 -16 2   50 o 29.816  8.4683  123.146    64.134   111.837    84.594   138.431    98.350   28.748  9.9522  31.361  10.737  -2.613089      14.64011 
1 1 1 -16 2   51 o 23.861  8.4931  70.974     61.901   53.905     81.325   94.485     95.443   23.619  9.4216  27.591  10.423  -3.971531      14.05040 
1 1 1 -16 2   52 o 18.651  8.1674  -1.9310    70.509   57.709     80.726   -193.8131  144.799  23.864  9.4286  19.587  9.5316  4.277182       13.40707 
1 1 1 -16 2   53 o 68.148  5.2574  590.100    86.261   581.800    116.267  600.262    128.653  66.274  7.3542  66.741  8.1111  -0.4672241     10.94873 
1 1 1 -16 2   54 o 20.785  8.2588  38.883     62.266   0.0073     77.809   108.111    103.833  19.615  8.5849  28.963  10.887  -9.348288      13.86469 
1 1 1 -16 2   55 o 22.883  9.3505  43.965     82.296   145.018    231.993  29.418     88.020   34.711  15.011  22.384  9.4493  12.32754       17.73765 
1 1 1 -16 2   56 o 24.750  11.803  -125.6487  196.870  -125.6487  196.870  0.0000     0.0000   24.750  11.803  ?       ?       0.000000       11.80306 
1 1 1 -16 3   1  f 191.161 4.7475  4448.22    220.208  4666.35    310.669  4227.96    312.179  195.498 6.5492  186.021 6.9164  9.477463       9.525167 
1 1 1 -16 3   2  o 254.555 5.7556  7900.18    355.497  8684.99    502.238  7112.17    503.260  266.362 7.7710  240.794 8.6136  25.56761       11.60092 
1 1 1 -16 3   3  o 186.733 4.6266  4243.92    209.627  4469.55    296.947  4019.78    295.970  191.355 6.3955  181.413 6.7238  9.941269       9.279656 
1 1 1 -16 3   4  o 72.315  4.0690  638.025    71.108   569.472    118.392  676.710    88.936   67.858  7.3056  74.385  4.9559  -6.526726      8.827948 
1 1 1 -16 3   5  o 74.885  4.0598  684.011    73.492   744.911    108.504  632.391    99.895   77.952  5.7777  71.788  5.7840  6.163239       8.175371 
1 1 1 -16 3   6  f 101.954 3.9480  1264.04    97.666   1410.91    140.264  1125.82    136.071  107.607 5.3721  95.905  5.8757  11.70191       7.961383 
1 1 1 -16 3   7  o 93.539  5.3858  1069.64    121.722  0.0000     0.0000   1069.64    121.722  ?       ?       93.539  5.3858  0.000000       5.385804 
1 1 1 -16 3   8  o 63.923  5.4076  501.428    83.087   0.0000     0.0000   501.428    83.087   ?       ?       63.923  5.4076  0.000000       5.407635 
1 1 1 -16 3   9  o 77.598  5.1923  736.726    97.199   0.0000     0.0000   736.726    97.199   ?       ?       77.598  5.1923  0.000000       5.192335 
1 1 1 -16 3   10 o 190.566 4.7558  4420.76    219.902  4925.60    312.764  3927.22    309.243  200.875 6.4169  179.240 7.1105  21.63469       9.577917 
1 1 1 -16 3   11 o 243.253 6.3625  7222.22    375.532  7250.69    465.364  7169.06    635.849  243.342 7.8816  240.968 10.875  2.373215       13.43074 
1 1 1 -16 3   12 f 183.462 4.6794  4096.78    208.307  4202.24    294.267  3990.86    294.914  185.522 6.5371  180.763 6.7239  4.759369       9.377857 
1 1 1 -16 3   13 o 105.359 3.7928  1349.61    96.962   1387.36    136.906  1311.61    137.345  106.716 5.2873  103.602 5.4831  3.113342       7.617064 
1 1 1 -16 3   14 o 67.079  3.8345  548.861    62.152   613.994    88.392   485.172    87.408   70.812  5.1804  62.819  5.8000  7.993687       7.776709 
1 1 1 -16 3   15 o 30.132  7.9653  115.146    59.120   90.474     70.235   175.125    109.510  27.687  9.0669  37.423  11.193  -9.735205      14.40423 
1 1 1 -16 3   16 o 73.466  5.4151  661.155    95.847   778.906    119.259  446.354    161.075  79.661  6.2193  59.086  11.649  20.57440       13.20540 
1 1 1 -16 3   17 o 73.966  5.3128  669.916    94.714   552.642    119.428  868.707    155.490  66.807  7.4969  83.904  7.7244  -17.09719      10.76427 
1 1 1 -16 3   18 o 35.643  5.3200  158.146    44.601   227.348    63.441   90.515     62.717   42.711  6.3118  27.285  8.5312  15.42576       10.61227 
1 1 1 -16 3   19 o 186.928 4.8075  4253.88    218.052  4312.70    308.510  4195.17    308.235  187.897 6.7668  185.302 6.8555  2.594788       9.632638 
1 1 1 -16 3   20 o 82.939  3.9356  836.517    79.201   810.206    111.874  862.953    112.141  81.322  5.7058  83.963  5.5355  -2.640686      7.949718 
1 1 1 -16 3   21 o 128.592 4.1421  2011.49    129.242  1833.83    181.757  2193.18    183.812  122.592 6.1104  134.122 5.6482  -11.53053      8.320985 
1 1 1 -16 3   22 o 202.097 5.0516  4975.14    247.717  4626.19    350.625  5322.89    350.026  194.425 7.4324  208.674 6.9130  -14.24902      10.15035 
1 1 1 -16 3   23 o 86.961  5.1437  924.599    108.050  972.118    210.943  907.696    125.808  88.255  10.029  86.030  6.0658  2.224617       11.72045 
1 1 1 -16 3   24 o 150.849 6.4606  2780.20    236.472  2526.16    365.260  2963.51    310.273  142.568 10.635  155.184 8.2700  -12.61551      13.47231 
1 1 1 -16 3   25 o 83.775  6.5028  862.890    131.148  769.380    212.086  920.784    166.878  77.931  11.567  86.258  8.0669  -8.327095      14.10211 
1 1 1 -16 3   26 o 126.232 6.4022  1953.02    195.453  1423.31    307.750  2311.12    253.036  106.210 12.161  137.062 7.6389  -30.85220      14.36108 
1 1 1 -16 3   27 o 190.581 4.9135  4428.11    227.213  4212.40    321.177  4644.23    321.478  185.379 7.1404  194.741 6.8035  -9.362137      9.862655 
1 1 1 -16 3   28 o 197.298 5.7202  4756.94    273.842  4626.10    330.141  5045.48    490.274  194.215 7.0057  201.693 10.018  -7.477829      12.22464 
1 1 1 -16 3   29 o 103.525 4.7579  1307.56    119.515  1273.29    141.966  1390.93    221.449  101.867 5.7673  105.745 8.7082  -3.877541      10.44481 
1 1 1 -16 3   30 o 72.414  4.2375  641.570    74.130   615.546    100.669  672.398    109.567  70.638  5.9283  73.799  6.1756  -3.161362      8.560524 
1 1 1 -16 3   31 o 69.987  4.2378  599.853    71.626   621.213    98.913   576.305    103.858  70.944  5.7968  68.196  6.3495  2.748245       8.597581 
1 1 1 -16 3   32 o 56.618  4.6300  394.539    63.050   398.728    84.930   389.395    94.105   56.583  6.2927  55.706  7.1254  0.8760452      9.506292 
1 1 1 -16 3   33 o 69.455  4.2576  591.869    71.405   594.623    98.570   588.828    103.580  69.258  5.9225  68.830  6.2708  0.4283676      8.625512 
1 1 1 -16 3   34 o 127.549 4.2667  1990.84    132.048  1894.94    185.829  2088.65    187.672  123.856 6.1835  130.121 5.9441  -6.265022      8.577200 
1 1 1 -16 3   35 o 44.230  5.2995  244.162    55.742   190.236    75.797   307.681    82.263   38.191  8.4072  49.242  7.0893  -11.05169      10.99724 
1 1 1 -16 3   36 o 32.006  7.9564  133.806    61.523   189.107    73.660   6.2219     111.882  38.054  8.2179  24.480  10.504  13.57402       13.33681 
1 1 1 -16 3   37 o 38.291  7.3604  189.687    65.901   201.598    79.148   162.767    118.991  39.152  8.5693  35.488  11.810  3.663963       14.59164 
1 1 1 -16 3   38 o 72.692  5.6078  658.660    98.146   630.264    120.594  714.367    168.908  70.516  7.1468  73.886  9.6522  -3.369911      12.01005 
1 1 1 -16 3   39 o 55.001  5.1562  377.233    68.009   415.930    97.346   340.337    95.053   57.085  7.1874  51.296  7.8897  5.789204       10.67271 
1 1 1 -16 3   40 o 49.932  5.5941  313.251    66.611   296.634    93.398   330.452    95.026   47.587  8.3958  50.431  8.0354  -2.844372      11.62136 
1 1 1 -16 3   41 o 28.558  7.9502  107.126    57.118   88.094     78.707   128.298    83.018   27.191  9.5877  31.267  9.8217  -4.076006      13.72548 
1 1 1 -16 3   42 o 35.772  10.376  174.022    95.326   336.124    180.132  110.967    112.346  47.834  14.366  30.788  11.373  17.04629       18.32282 
1 1 1 -16 3   43 o 69.893  7.2344  626.259    120.912  528.883    225.454  665.574    143.256  58.787  15.562  71.413  8.4300  -12.62561      17.69829 
1 1 1 -16 3   44 o 37.444  7.6779  185.569    67.416   204.760    86.336   155.587    107.915  38.766  9.2983  33.921  11.245  4.844334       14.59149 
1 1 1 -16 3   45 o 16.571  7.1863  -2.6047    53.468   -12.7527   73.770   8.6264     77.607   18.700  8.2653  20.488  8.7686  -1.787897      12.04998 
1 1 1 -16 3   46 o 51.149  5.6060  332.517    68.435   358.277    94.887   304.591    98.796   52.101  7.7410  47.353  8.9259  4.748039       11.81505 
1 1 1 -16 3   47 o 44.501  6.3574  256.791    66.695   171.555    90.014   360.543    99.311   34.853  10.075  51.898  8.1555  -17.04519      12.96212 
1 1 1 -16 3   48 o 42.534  6.4083  236.032    64.084   284.818    87.962   180.845    93.554   45.860  8.2061  35.516  10.273  10.34460       13.14782 
1 1 1 -16 3   49 o 21.553  8.3198  47.395     61.668   -19.0843   80.884   139.689    95.302   18.942  8.4948  31.484  10.571  -12.54255      13.56089 
1 1 1 -16 3   50 o 50.197  6.3888  328.848    76.051   348.401    100.756  302.957    115.940  50.375  8.5488  45.441  10.693  4.933331       13.69056 
1 1 1 -16 3   51 o 27.681  9.3705  103.771    74.898   149.035    85.144   -51.0846   157.485  32.257  9.9164  24.514  11.320  7.742956       15.04881 
1 1 1 -16 3   52 o 51.180  7.4776  350.268    90.120   329.414    103.906  413.586    181.055  48.529  9.1600  49.937  14.244  -1.407902      16.93532 
1 1 1 -16 3   53 o 13.923  6.4815  -41.1363   53.252   -17.2600   66.383   -84.2371   89.189   17.204  7.7071  17.030  8.0703  0.1742344      11.15928 
1 1 1 -16 3   54 o 18.046  7.5225  16.906     54.707   28.247     68.939   -2.3808    89.904   20.539  8.4933  20.728  9.1449  -0.1889439     12.48062 
1 1 1 -16 3   55 o 33.083  14.801  94.551     243.948  94.551     243.948  0.0000     0.0000   33.083  14.801  ?       ?       0.000000       14.80056 
1 1 1 -16 3   56 o 24.376  10.151  51.224     99.474   -34.1817   240.971  68.767     109.213  28.943  13.576  26.053  10.723  2.889874       17.30013 
1 1 1 -16 4   1  o 128.027 3.9392  1993.15    122.369  2017.71    172.325  1968.16    173.797  128.670 5.5196  127.068 5.6369  1.601875       7.889271 
1 1 1 -16 4   2  o 187.186 4.6915  4264.89    213.083  4628.30    301.136  3900.47    301.555  194.728 6.3734  178.659 6.9563  16.06876       9.434484 
1 1 1 -16 4   3  o 214.124 5.0580  5583.82    262.791  5901.46    371.582  5265.98    371.704  219.753 6.9688  207.493 7.3830  12.26057       10.15242 
1 1 1 -16 4   4  o 203.758 4.9321  5055.33    243.842  5283.43    344.643  4826.69    345.046  207.956 6.8302  198.696 7.1569  9.259628       9.893054 
1 1 1 -16 4   5  o 343.460 8.2920  14459.90   691.029  16000.02   1179.44  13654.89   852.714  358.216 13.570  332.700 10.563  25.51563       17.19626 
1 1 1 -16 4   6  o 368.298 10.682  16739.83   954.621  0.0000     0.0000   16739.83   954.621  ?       ?       368.298 10.682  0.000000       10.68236 
1 1 1 -16 4   7  o 319.799 9.4988  12576.52   737.073  0.0000     0.0000   12576.52   737.073  ?       ?       319.799 9.4988  0.000000       9.498831 
1 1 1 -16 4   8  o 193.243 6.6706  4560.82    312.775  0.0000     0.0000   4560.82    312.775  ?       ?       193.243 6.6706  0.000000       6.670592 
1 1 1 -16 4   9  o 221.016 5.1839  5950.24    278.002  6241.62    393.382  5659.53    392.928  225.947 7.1753  215.070 7.5296  10.87718       10.40095 
1 1 1 -16 4   10 o 181.785 4.6201  4021.97    203.784  3984.91    287.067  4059.62    289.335  180.655 6.5489  182.342 6.5396  -1.687256      9.254951 
1 1 1 -16 4   11 o 130.725 4.0168  2078.24    127.408  2050.39    179.786  2106.34    180.582  129.686 5.7134  131.450 5.6617  -1.763260      8.043545 
1 1 1 -16 4   12 o 63.217  3.8495  487.698    58.766   512.042    83.592   463.909    82.633   64.606  5.3814  61.442  5.6044  3.163834       7.769723 
1 1 1 -16 4   13 o 122.869 4.3834  1836.79    130.683  1742.85    213.863  1892.77    165.089  119.142 7.4350  124.630 5.4592  -5.487610      9.224021 
1 1 1 -16 4   14 o 178.404 6.5046  3885.62    281.574  3864.03    375.339  3913.41    425.836  177.468 8.7164  178.050 9.8959  -0.5819092     13.18728 
1 1 1 -16 4   15 o 239.710 7.6799  7032.22    446.688  6559.00    605.995  7595.26    661.011  230.516 10.834  247.999 10.985  -17.48280      15.42890 
1 1 1 -16 4   16 o 166.774 6.2783  3394.12    254.057  3310.74    336.304  3504.95    387.743  164.109 8.4746  168.582 9.5181  -4.472809      12.74413 
1 1 1 -16 4   17 o 236.108 5.3553  6792.23    306.805  6828.19    433.768  6756.23    434.008  236.231 7.5676  234.971 7.6124  1.259918       10.73389 
1 1 1 -16 4   18 o 258.082 5.8453  8122.27    366.043  8381.91    517.769  7862.84    517.556  261.541 8.1589  253.230 8.4232  8.310364       11.72682 
1 1 1 -16 4   19 o 56.964  4.2481  396.935    58.294   401.829    82.803   392.126    82.083   57.074  6.0725  56.369  6.0986  0.7053108      8.606294 
1 1 1 -16 4   20 o 52.240  5.1471  335.629    64.395   364.601    91.677   307.414    90.472   54.148  7.1528  49.525  7.7858  4.623486       10.57265 
1 1 1 -16 4   21 o 99.993  4.1199  1216.28    99.958   1204.61    139.852  1228.46    142.922  99.210  5.8354  100.180 5.9058  -0.9700089     8.302423 
1 1 1 -16 4   22 o 298.940 6.6593  10919.72   483.034  10920.45   683.502  10918.98   682.727  297.872 9.4569  297.856 9.4466  0.1547241E-01  13.36677 
1 1 1 -16 4   23 o 115.944 6.0988  1645.53    170.974  1454.53    273.899  1767.47    218.847  107.997 10.589  119.896 7.5614  -11.89924      13.01125 
1 1 1 -16 4   24 o 68.673  7.0664  583.082    116.067  342.743    190.266  725.526    146.478  51.483  14.573  76.500  8.0100  -25.01675      16.62955 
1 1 1 -16 4   25 o 221.686 7.6869  6027.47    413.478  5927.52    619.744  6107.65    555.078  217.972 11.761  222.203 10.295  -4.230881      15.63087 
1 1 1 -16 4   26 o 178.284 4.6968  3873.07    203.178  3755.96    287.315  3990.22    287.359  175.160 6.7602  180.587 6.5580  -5.427567      9.418508 
1 1 1 -16 4   27 o 57.560  4.6517  406.432    64.413   401.610    88.094   411.973    94.423   56.918  6.4951  57.580  6.8955  -0.6622772     9.472806 
1 1 1 -16 4   28 o 251.021 6.6414  7725.21    404.513  8063.93    489.988  7000.30    716.813  255.916 7.8908  235.491 12.591  20.42557       14.85891 
1 1 1 -16 4   29 o 88.433  4.0589  953.017    87.094   996.381    122.369  908.498    123.987  90.068  5.6275  85.917  5.9848  4.150352       8.215056 
1 1 1 -16 4   30 o 74.744  4.1819  683.532    75.538   688.309    104.904  678.387    108.859  74.711  5.8331  74.109  6.1083  0.6019974      8.446083 
1 1 1 -16 4   31 o 58.986  4.4890  427.519    63.766   394.799    86.603   466.262    94.237   56.281  6.4587  61.225  6.4401  -4.944084      9.120818 
1 1 1 -16 4   32 f 107.903 4.1513  1422.34    108.689  1226.79    152.543  1623.99    154.902  99.562  6.3475  114.987 5.5519  -15.42484      8.432957 
1 1 1 -16 4   33 o 115.240 4.2349  1624.34    118.417  1519.46    166.308  1732.19    168.650  110.777 6.2123  118.565 5.8623  -7.787743      8.541602 
1 1 1 -16 4   34 o 90.598  4.1129  1004.43    90.413   1021.65    126.443  986.420    129.332  90.821  5.7677  89.156  6.0136  1.665344       8.332471 
1 1 1 -16 4   35 o 132.814 4.4394  2164.05    143.064  1984.92    202.051  2344.16    202.596  126.183 6.6224  137.568 6.0695  -11.38518      8.983038 
1 1 1 -16 4   36 o 50.661  6.1771  323.141    74.360   371.452    89.204   213.124    134.615  54.118  6.9542  39.821  12.507  14.29702       14.30995 
1 1 1 -16 4   37 o 40.902  6.8612  214.539    65.682   233.398    77.613   166.948    123.293  42.390  7.8343  35.853  12.023  6.537060       14.35035 
1 1 1 -16 4   38 o 45.563  5.1726  259.808    56.172   199.831    77.186   327.341    81.903   38.925  8.4174  50.688  6.8335  -11.76293      10.84198 
1 1 1 -16 4   39 o 69.547  4.8176  599.779    80.796   669.449    111.199  521.865    117.595  72.932  6.3471  63.748  7.7628  9.183628       10.02730 
1 1 1 -16 4   40 o 52.664  5.6008  348.326    70.470   345.322    95.940   351.847    103.850  51.591  7.9170  51.816  8.5589  -0.2247353     11.65901 
1 1 1 -16 4   41 o 55.796  5.2440  389.428    70.163   411.787    97.863   365.779    100.647  56.626  7.2920  52.992  8.0835  3.634697       10.88655 
1 1 1 -16 4   42 o 31.384  10.173  129.554    88.512   195.900    176.945  107.412    102.221  38.571  14.268  29.956  10.882  8.615232       17.94451 
1 1 1 -16 4   43 o 21.350  9.0520  13.897     81.336   -178.3264  170.596  70.447     92.530   22.881  10.933  26.386  10.190  -3.505152      14.94489 
1 1 1 -16 4   44 o 25.441  8.3056  82.776     58.953   8.9231     79.467   173.170    87.917   20.746  8.8758  35.427  9.8638  -14.68089      13.26929 
1 1 1 -16 4   45 o 23.652  8.2312  68.147     57.904   75.900     77.796   58.517     86.705   25.628  9.4647  24.819  9.7824  0.8089104      13.61163 
1 1 1 -16 4   46 o 17.154  7.2904  6.8169     52.968   50.789     73.839   -39.7971   76.025   23.072  9.0486  17.432  7.9815  5.640522       12.06576 
1 1 1 -16 4   47 o 42.454  6.4999  235.297    64.825   250.644    89.472   218.337    94.052   42.611  8.9390  39.228  9.8851  3.382565       13.32747 
1 1 1 -16 4   48 o 48.553  6.2516  306.068    71.939   256.982    93.237   378.277    113.086  42.834  9.2421  52.191  9.2696  -9.356293      13.08977 
1 1 1 -16 4   49 o 35.897  7.9915  176.871    67.816   211.555    90.243   131.871    102.791  38.429  9.6824  30.845  10.948  7.584528       14.61538 
1 1 1 -16 4   50 o 22.729  8.4223  60.161     61.705   77.319     78.185   31.822     100.479  25.319  9.4609  23.638  10.043  1.681313       13.79773 
1 1 1 -16 4   51 o 43.475  8.4063  260.541    85.469   263.428    97.797   251.205    175.854  42.960  9.6213  39.297  14.274  3.663006       17.21356 
1 1 1 -16 4   52 o 44.547  6.4806  260.416    67.994   266.489    95.385   254.142    96.952   43.437  9.3287  42.171  9.6798  1.265728       13.44333 
1 1 1 -16 4   53 o 14.688  6.6505  -21.4660   50.953   -36.8566   68.369   -2.2374    76.419   16.385  7.5268  19.310  8.4782  -2.924734      11.33718 
1 1 1 -16 4   54 o 33.824  14.993  112.402    244.425  112.402    244.425  0.0000     0.0000   33.824  14.993  ?       ?       0.000000       14.99273 
1 1 1 -16 4   55 o 19.670  9.8280  -393.5578  193.725  -393.5578  193.725  0.0000     0.0000   19.670  9.8280  ?       ?       0.000000       9.828043 
1 1 1 -16 5   1  o 330.869 8.1068  13412.04   650.834  14098.20   1109.65  13052.21   803.565  336.270 13.600  325.490 10.175  10.78012       16.98466 
1 1 1 -16 5   2  o 221.825 5.1519  5993.52    277.294  6313.54    390.919  5669.43    393.398  227.268 7.0890  215.259 7.5319  12.00850       10.34331 
1 1 1 -16 5   3  o 166.091 4.4527  3356.76    179.447  3761.47    254.692  2957.82    252.872  175.609 5.9773  155.617 6.6970  19.99178       8.976488 
1 1 1 -16 5   4  o 128.383 4.0529  2004.57    126.252  2139.68    181.504  1877.92    175.730  132.485 5.6462  124.096 5.8361  8.388649       8.120322 
1 1 1 -16 5   5  o 106.720 4.3386  1385.66    112.347  1679.03    188.993  1225.33    139.713  117.061 6.6815  100.082 5.7779  16.97898       8.833234 
1 1 1 -16 5   6  o 93.072  5.3145  1058.82    119.520  0.0000     0.0000   1058.82    119.520  ?       ?       93.072  5.3145  0.000000       5.314485 
1 1 1 -16 5   7  o 122.970 5.6462  1843.39    168.469  0.0000     0.0000   1843.39    168.469  ?       ?       122.970 5.6462  0.000000       5.646216 
1 1 1 -16 5   8  o 171.249 4.5437  3568.95    188.800  3750.67    267.967  3389.81    266.050  175.304 6.2998  166.613 6.5810  8.691635       9.110251 
1 1 1 -16 5   9  f 231.326 5.3670  6520.20    301.246  6584.22    425.522  6455.88    426.533  231.967 7.5602  229.671 7.6539  2.296356       10.75818 
1 1 1 -16 5   10 o 335.940 7.0571  13793.98   575.245  12926.19   812.328  14666.89   814.716  323.828 10.338  345.257 9.7252  -21.42944      14.19375 
1 1 1 -16 5   11 o 252.843 5.6622  7793.20    347.377  7519.37    489.476  8071.07    493.076  247.730 8.1431  256.727 7.9155  -8.996872      11.35625 
1 1 1 -16 5   12 o 208.932 4.9865  5315.60    252.793  5169.98    355.805  5464.03    359.225  205.653 7.1304  211.449 7.0016  -5.796005      9.993233 
1 1 1 -16 5   13 o 159.922 6.2317  3120.73    241.812  3305.96    320.512  2876.00    368.421  164.285 8.0405  152.518 10.011  11.76715       12.84011 
1 1 1 -16 5   14 o 34.764  7.4414  153.406    60.874   110.652    74.004   242.861    107.047  30.021  9.2476  43.543  10.294  -13.52223      13.83797 
1 1 1 -16 5   15 o 167.530 6.2686  3425.00    254.817  3288.88    337.596  3605.24    388.466  163.544 8.5370  171.012 9.3979  -7.467773      12.69652 
1 1 1 -16 5   16 o 123.927 4.4399  1868.73    133.506  1865.08    218.077  1870.92    168.844  123.282 7.3232  123.890 5.6168  -0.6082001     9.229177 
1 1 1 -16 5   17 o 111.087 3.9067  1500.58    105.301  1472.62    148.730  1528.67    149.106  109.773 5.6026  111.997 5.4869  -2.223938      7.841888 
1 1 1 -16 5   18 o 125.782 4.0236  1924.17    122.800  1851.76    173.017  1997.67    174.322  123.230 5.7864  128.012 5.6122  -4.782120      8.060985 
1 1 1 -16 5   19 o 154.983 4.1876  2921.99    157.477  3172.91    222.600  2670.60    222.811  161.316 5.6870  147.926 6.2077  13.38953       8.418871 
1 1 1 -16 5   20 o 21.853  7.3650  54.520     46.267   58.260     58.950   48.522     74.660   23.400  8.2925  23.994  9.1817  -0.5940552     12.37212 
1 1 1 -16 5   21 o 21.411  7.2201  52.289     44.465   105.286    58.463   -20.4389   68.486   28.890  8.0435  18.080  7.9789  10.80947       11.32960 
1 1 1 -16 5   22 o 99.163  6.1498  1205.03    147.239  1101.77    236.625  1270.27    188.088  93.866  10.574  101.543 7.6910  -7.676674      13.07483 
1 1 1 -16 5   23 o 75.164  6.4652  695.380    116.764  676.755    196.811  705.496    145.049  73.034  11.485  75.420  8.0506  -2.385971      14.02581 
1 1 1 -16 5   24 o 125.744 6.0388  1931.05    184.248  2428.70    293.277  1606.58    236.816  140.273 8.6590  113.990 8.6260  26.28255       12.22236 
1 1 1 -16 5   25 o 102.655 4.1506  1282.78    103.384  1266.47    144.695  1299.78    147.767  101.661 5.8911  102.985 5.9386  -1.323921      8.364961 
1 1 1 -16 5   26 o 205.564 5.1183  5154.94    255.291  5155.98    361.952  5153.91    360.126  205.011 7.2763  204.981 7.2407  0.3007507E-01  10.26507 
1 1 1 -16 5   27 o 184.744 5.6013  4170.83    251.087  4134.36    302.318  4251.92    450.818  183.624 6.7853  184.782 10.093  -1.157364      12.16186 
1 1 1 -16 5   28 o 75.543  4.2264  697.704    77.158   678.578    107.107  718.338    111.247  74.205  6.0000  76.352  6.0545  -2.146233      8.523932 
1 1 1 -16 5   29 o 51.559  5.0436  327.972    62.289   293.426    82.973   372.583    94.288   48.280  7.3116  54.524  7.3111  -6.243816      10.33982 
1 1 1 -16 5   30 o 108.507 4.1054  1436.55    108.089  1401.41    152.380  1472.13    153.345  106.690 5.9093  109.386 5.7983  -2.696014      8.278903 
1 1 1 -16 5   31 o 109.509 4.1054  1464.39    109.086  1379.91    152.867  1552.04    155.715  105.758 5.9816  112.253 5.7362  -6.494202      8.287548 
1 1 1 -16 5   32 f 162.850 4.6827  3248.42    185.034  3138.88    262.292  3356.95    261.069  159.247 6.7881  164.809 6.5285  -5.561447      9.418021 
1 1 1 -16 5   33 f 18.042  6.8846  28.578     41.901   -10.5702   54.165   86.917     66.122   16.350  7.1593  26.723  8.7996  -10.37224      11.34411 
1 1 1 -16 5   34 o 79.920  4.2296  784.674    81.727   791.297    113.811  777.623    117.434  79.786  5.9211  79.008  6.1748  0.7783890      8.554993 
1 1 1 -16 5   35 o 25.109  8.0244  78.416     55.218   133.911    64.569   -72.6350   106.527  31.972  8.2633  20.207  9.3233  11.76538       12.45817 
1 1 1 -16 5   36 o 33.471  7.6515  146.433    60.787   180.640    71.409   56.417     115.838  37.112  8.1528  27.628  11.166  9.484529       13.82538 
1 1 1 -16 5   37 o 36.114  7.3662  169.727    62.361   85.996     73.119   393.128    119.435  26.779  9.2536  54.625  9.3470  -27.84620      13.15279 
1 1 1 -16 5   38 o 54.413  5.5849  371.133    72.691   395.355    98.309   341.915    107.970  55.497  7.4921  50.910  9.0733  4.587143       11.76673 
1 1 1 -16 5   39 o 56.807  5.4395  403.879    74.060   454.129    100.079  343.051    110.110  59.677  7.0475  50.858  9.2643  8.819340       11.64021 
1 1 1 -16 5   40 o 16.604  7.2993  -10.8131   56.803   27.969     74.790   -63.6793   87.321   21.742  8.9026  18.067  8.3728  3.675724       12.22129 
1 1 1 -16 5   41 o 23.648  9.4551  44.222     82.094   -49.1132   168.215  73.402     94.055   26.649  12.073  26.840  10.297  -0.1914482     15.86826 
1 1 1 -16 5   42 f 44.284  9.3599  265.124    97.427   403.184    194.124  218.640    112.640  51.653  14.755  39.544  11.220  12.10906       18.53616 
1 1 1 -16 5   43 o 27.408  8.3104  98.982     60.069   153.915    81.681   34.280     88.647   33.578  9.5639  23.389  9.6479  10.18839       13.58488 
1 1 1 -16 5   44 o 25.849  8.2909  86.739     58.905   113.279    79.845   55.042     87.257   29.287  9.6710  24.639  9.7810  4.647955       13.75492 
1 1 1 -16 5   45 o 19.864  7.8255  33.939     55.460   31.443     77.237   36.597     79.685   21.909  9.0177  22.521  9.2016  -0.6115742     12.88362 
1 1 1 -16 5   46 o 25.493  8.4045  84.723     60.311   87.263     86.158   82.283     84.452   26.884  9.9541  26.374  9.8372  0.5098228      13.99477 
1 1 1 -16 5   47 o 37.348  7.3385  187.063    64.131   100.402    86.371   293.549    95.742   27.890  10.021  46.136  8.8749  -18.24595      13.38600 
1 1 1 -16 5   48 o 57.893  5.4971  428.233    76.293   452.584    106.675  402.737    109.157  58.149  7.7537  54.263  8.5754  3.885994       11.56104 
1 1 1 -16 5   49 o 77.257  4.8489  753.079    90.435   725.774    126.617  781.515    129.212  74.227  7.1175  77.160  6.9771  -2.932526      9.966847 
1 1 1 -16 5   50 o 44.172  8.4789  269.470    87.573   309.004    100.415  143.891    178.969  46.933  9.1466  33.445  13.742  13.48707       16.50754 
1 1 1 -16 5   51 o 22.904  8.9563  53.846     72.179   37.123     81.112   117.478    158.217  22.348  9.2247  31.523  12.933  -9.174746      15.88547 
1 1 1 -16 5   52 o 32.016  8.0324  141.637    62.294   133.908    87.337   149.641    88.878   30.771  10.112  32.272  10.166  -1.500568      14.33931 
1 1 1 -16 5   53 o 28.276  9.6130  109.709    78.828   109.709    78.828   0.0000     0.0000   28.276  9.6130  ?       ?       0.000000       9.613007 
1 1 1 -16 5   54 o 31.851  14.607  42.990     256.036  42.990     256.036  0.0000     0.0000   31.851  14.607  ?       ?       0.000000       14.60694 
1 1 1 -16 6   1  o 79.510  4.0267  770.799    77.432   834.089    114.599  717.631    105.036  82.513  5.7601  76.515  5.6984  5.997604       8.102492 
1 1 1 -16 6   2  o 58.472  4.3070  418.186    60.676   424.921    94.539   413.469    79.123   58.597  6.7741  57.962  5.6997  0.6353645      8.852947 
1 1 1 -16 6   3  o 22.869  6.6564  65.078     39.171   75.610     69.031   60.076     47.571   26.053  8.9918  22.672  7.4638  3.380775       11.68592 
1 1 1 -16 6   4  o 197.266 4.9052  4738.21    234.784  5096.55    332.793  4383.12    331.283  204.266 6.7145  189.332 7.2113  14.93394       9.853277 
1 1 1 -16 6   5  o 54.546  5.6351  366.508    73.506   0.0000     0.0000   366.508    73.506   ?       ?       54.546  5.6351  0.000000       5.635092 
1 1 1 -16 6   6  o 180.216 6.5778  3966.01    287.632  0.0000     0.0000   3966.01    287.632  ?       ?       180.216 6.5778  0.000000       6.577789 
1 1 1 -16 6   7  o 13.214  5.9500  -20.5225   40.134   0.0000     0.0000   -20.5225   40.134   ?       ?       13.214  5.9500  0.000000       5.950016 
1 1 1 -16 6   8  f 60.296  4.2178  444.398    61.318   490.935    95.675   411.959    79.880   63.111  6.3332  57.844  5.7683  5.267246       8.566413 
1 1 1 -16 6   9  o 80.512  3.8157  788.138    74.541   753.237    102.488  827.333    108.613  78.437  5.4182  82.214  5.4760  -3.777069      7.703461 
1 1 1 -16 6   10 o 55.244  4.1604  373.311    55.358   359.214    76.137   389.122    80.632   53.954  5.9126  56.166  6.0098  -2.211845      8.430689 
1 1 1 -16 6   11 o 304.578 6.4857  11325.69   479.314  10957.39   676.577  11696.79   679.136  298.581 9.3388  308.603 9.0697  -10.02286      13.01816 
1 1 1 -16 6   12 o 329.106 9.7021  13325.84   774.757  12080.37   1066.84  14715.64   1126.97  310.925 14.141  343.599 13.518  -32.67340      19.56251 
1 1 1 -16 6   13 o 47.780  6.8979  284.572    77.653   240.054    88.151   438.810    164.080  43.492  8.6575  58.501  11.963  -15.00897      14.76682 
1 1 1 -16 6   14 o 183.713 6.5021  4120.65    289.838  3513.45    380.979  4954.96    446.578  168.826 9.3366  200.830 9.1644  -32.00403      13.08275 
1 1 1 -16 6   15 f 65.377  5.4993  524.543    86.425   502.603    106.474  566.916    147.972  63.755  6.9979  67.308  9.3096  -3.553177      11.64644 
1 1 1 -16 6   16 o 156.939 4.3409  2996.68    165.301  3075.04    233.417  2917.84    234.125  158.763 6.0592  154.626 6.2402  4.137329       8.697992 
1 1 1 -16 6   17 o 101.234 3.9093  1246.25    96.027   1206.74    135.552  1286.06    136.055  99.332  5.6474  102.577 5.4862  -3.245529      7.873512 
1 1 1 -16 6   18 o 151.819 4.8435  2806.51    178.421  2983.41    224.167  2500.74    294.719  156.392 5.9074  142.512 8.5627  13.87933       10.40274 
1 1 1 -16 6   19 o 13.529  6.1268  -24.7461   43.260   7.3363     58.292   -64.0768   64.542   18.511  7.7449  15.100  7.0647  3.410810       10.48301 
1 1 1 -16 6   20 o 25.811  7.3050  83.632     47.811   96.003     61.546   64.804     75.928   27.862  8.4039  25.558  9.3645  2.303246       12.58247 
1 1 1 -16 6   21 o 109.698 6.0059  1473.02    159.253  1403.94    256.599  1516.30    203.103  106.226 10.076  111.013 7.5855  -4.786842      12.61211 
1 1 1 -16 6   22 o 54.129  7.8165  366.387    99.687   505.468    165.254  286.822    124.990  62.977  11.226  47.202  11.100  15.77516       15.78699 
1 1 1 -16 6   23 o 234.501 8.0884  6750.80    460.225  6162.76    686.176  7231.64    620.484  221.765 12.807  241.701 10.580  -19.93602      16.61156 
1 1 1 -16 6   24 f 170.902 6.8811  3575.82    285.343  3130.61    440.435  3897.86    374.586  158.225 11.552  177.958 8.6750  -19.73268      14.44657 
1 1 1 -16 6   25 o 242.882 5.6724  7204.76    334.294  6867.51    473.113  7541.02    472.415  236.255 8.2531  247.730 7.8592  -11.47519      11.39658 
1 1 1 -16 6   26 o 107.550 4.8177  1410.71    125.724  1435.03    149.166  1351.06    233.622  108.213 5.7011  104.107 9.3481  4.106094       10.94943 
1 1 1 -16 6   27 o 94.786  4.8671  1099.35    111.561  1065.82    132.012  1183.10    208.665  93.144  5.8712  97.390  8.9297  -4.245880      10.68688 
1 1 1 -16 6   28 o 24.610  7.4170  75.302     47.954   83.133     63.304   64.758     73.457   26.348  8.6069  25.207  9.2146  1.141603       12.60903 
1 1 1 -16 6   29 o 118.203 4.1919  1704.84    120.227  1647.68    168.817  1763.67    171.263  115.698 6.0344  119.892 5.8872  -4.193611      8.430499 
1 1 1 -16 6   30 o 83.809  4.0826  857.462    83.022   867.467    115.747  846.859    119.150  83.859  5.7227  82.792  5.9713  1.067131       8.270718 
1 1 1 -16 6   31 o 144.521 4.4235  2554.99    155.118  2444.78    219.701  2664.53    219.040  140.725 6.4342  147.027 6.1399  -6.302002      8.893677 
1 1 1 -16 6   32 o 63.422  4.5061  495.148    68.892   409.931    93.787   595.014    101.528  57.092  6.9110  69.160  6.1131  -12.06808      9.226746 
1 1 1 -16 6   33 o 87.666  4.1628  941.053    88.548   967.930    123.988  913.074    126.501  88.342  5.8168  85.690  6.1245  2.652031       8.446635 
1 1 1 -16 6   34 o 105.269 5.7435  1374.58    146.150  1496.67    185.048  1172.16    238.271  109.278 7.0160  94.750  10.543  14.52793       12.66388 
1 1 1 -16 6   35 o 21.274  7.7952  47.265     52.613   78.362     60.988   -43.2178   104.032  25.361  8.4559  21.129  9.5407  4.232349       12.74866 
1 1 1 -16 6   36 o 37.276  7.3523  180.435    64.137   199.200    75.588   132.190    121.200  38.937  8.2567  33.071  11.872  5.866528       14.46098 
1 1 1 -16 6   37 o 26.943  7.0687  94.620     46.789   119.580    61.036   59.052     72.863   30.144  8.1498  24.176  9.1136  5.967943       12.22603 
1 1 1 -16 6   38 o 48.462  6.2737  297.967    72.040   177.996    99.842   428.261    104.049  36.273  10.647  57.706  7.6173  -21.43266      13.09131 
1 1 1 -16 6   39 f 94.173  4.5744  1094.06    104.526  1098.85    144.073  1088.73    151.879  93.450  6.3923  92.804  6.7920  0.6459198      9.326964 
1 1 1 -16 6   40 o 59.701  7.0598  456.069    100.287  565.488    207.426  422.688    114.568  62.329  14.051  56.760  8.5870  5.568550       16.46737 
1 1 1 -16 6   41 o 45.436  9.5911  279.614    102.417  249.386    193.630  291.355    120.680  41.912  15.010  45.744  11.006  -3.832268      18.61299 
1 1 1 -16 6   42 o 57.381  8.0793  431.570    109.373  462.437    213.981  420.654    127.251  54.529  15.462  55.726  9.7671  -1.197258      18.28823 
1 1 1 -16 6   43 o 77.753  4.7117  753.475    88.471   838.594    124.609  666.955    125.630  81.166  6.3785  71.804  7.3129  9.362846       9.703809 
1 1 1 -16 6   44 o 12.559  6.0007  -64.5391   51.397   -154.2392  71.628   30.661     73.792   12.678  6.2738  21.534  8.8331  -8.856129      10.83437 
1 1 1 -16 6   45 o 58.467  5.3570  433.023    75.152   442.125    103.085  422.697    109.795  57.951  7.5076  56.170  8.3064  1.780407       11.19644 
1 1 1 -16 6   46 o 24.504  8.5147  75.758     61.950   69.779     84.937   82.553     90.553   25.287  9.7632  26.636  10.131  -1.348972      14.06978 
1 1 1 -16 6   47 o 35.478  7.6569  171.081    63.981   156.182    87.149   188.499    94.231   33.049  10.007  36.059  10.273  -3.010017      14.34154 
1 1 1 -16 6   48 o 21.708  8.1581  52.392     58.297   209.135    78.487   -140.4943  87.068   38.767  8.5717  14.958  7.3036  23.80881       11.26131 
1 1 1 -16 6   49 f 59.548  7.4009  472.356    104.629  422.792    122.602  605.213    200.726  54.726  9.5820  61.327  13.820  -6.600922      16.81714 
1 1 1 -16 6   50 o 23.089  9.0141  55.477     73.022   112.559    81.863   -166.8072  161.544  28.650  9.7960  21.572  10.392  7.078623       14.28132 
1 1 1 -16 6   51 o 40.792  7.0109  221.957    66.892   253.286    93.980   189.789    95.230   42.234  9.4116  36.011  10.349  6.222786       13.98867 
1 1 1 -16 6   52 o 50.015  6.3484  326.934    75.307   322.185    99.998   333.156    114.463  48.078  8.8997  48.007  10.144  0.7147598E-01  13.49475 
1 1 1 -16 6   53 o 34.937  15.295  149.553    247.106  149.553    247.106  0.0000     0.0000   34.937  15.295  ?       ?       0.000000       15.29477 
1 1 1 -16 6   54 o 20.582  9.3467  -24.0300   101.539  217.626    232.339  -81.0811   112.890  36.561  15.389  19.471  9.1823  17.09043       17.92002 
1 1 1 -16 7   1  o 191.476 4.7495  4463.16    220.661  4862.56    312.474  4065.86    311.651  199.574 6.4528  182.384 7.0423  17.18919       9.551597 
1 1 1 -16 7   2  o 255.348 5.7702  7950.27    357.508  8463.78    504.657  7432.94    506.534  262.886 7.9116  246.185 8.4797  16.70055       11.59739 
1 1 1 -16 7   3  o 228.743 5.3804  6375.76    298.624  6857.10    422.450  5895.03    422.186  236.773 7.3533  219.390 7.9309  17.38293       10.81526 
1 1 1 -16 7   4  o 241.030 7.6943  7111.47    449.990  0.0000     0.0000   7111.47    449.990  ?       ?       241.030 7.6943  0.000000       7.694293 
1 1 1 -16 7   5  o 237.558 7.7377  6908.82    446.014  0.0000     0.0000   6908.82    446.014  ?       ?       237.558 7.7377  0.000000       7.737736 
1 1 1 -16 7   6  o 212.901 7.2051  5542.40    372.205  0.0000     0.0000   5542.40    372.205  ?       ?       212.901 7.2051  0.000000       7.205090 
1 1 1 -16 7   7  o 245.696 5.6263  7358.85    335.418  7673.24    474.378  7044.54    474.327  250.336 7.8098  239.762 8.1533  10.57356       11.29020 
1 1 1 -16 7   8  o 176.880 4.5187  3807.44    193.935  3734.59    273.427  3881.20    275.111  174.901 6.4430  178.316 6.3585  -3.414581      9.052202 
1 1 1 -16 7   9  o 153.082 4.2498  2850.82    157.854  2811.62    222.719  2890.39    223.763  151.814 6.0462  153.934 5.9909  -2.119431      8.511547 
1 1 1 -16 7   10 o 167.735 4.5052  3423.83    183.357  3426.03    258.867  3421.61    259.747  167.533 6.3681  167.421 6.3940  0.1122742      9.024241 
1 1 1 -16 7   11 o 126.998 5.7929  1966.65    178.509  1797.43    224.188  2259.77    295.069  120.944 7.6793  135.355 9.0362  -14.41129      11.85853 
1 1 1 -16 7   12 o 163.639 6.2231  3267.71    247.090  2811.43    319.921  3942.29    388.995  151.108 8.7631  179.182 8.9472  -28.07353      12.52376 
1 1 1 -16 7   13 f 190.220 6.6940  4419.62    308.963  3997.32    408.388  4984.82    472.462  180.087 9.3785  201.281 9.6739  -21.19391      13.47365 
1 1 1 -16 7   14 o 163.005 6.3001  3243.03    249.181  3102.41    323.948  3446.77    389.949  158.839 8.4356  167.105 9.6585  -8.267044      12.82362 
1 1 1 -16 7   15 o 160.942 4.4195  3151.87    172.587  3077.35    241.594  3229.54    246.634  158.788 6.2705  162.671 6.2486  -3.882401      8.852349 
1 1 1 -16 7   16 o 260.730 5.8263  8290.68    368.594  7702.32    519.517  8887.06    523.042  250.557 8.5453  269.322 8.0039  -18.76537      11.70833 
1 1 1 -16 7   17 o 131.856 4.0148  2114.59    128.446  2163.33    181.360  2065.54    181.942  133.207 5.6112  130.144 5.7616  3.062927       8.042469 
1 1 1 -16 7   18 o 331.626 7.1165  13449.93   572.641  13091.31   809.957  13808.33   809.715  325.780 10.246  334.729 9.9695  -8.949493      14.29621 
1 1 1 -16 7   19 o 104.819 4.1033  1336.59    104.360  1278.00    148.108  1394.38    147.070  102.163 6.0011  106.775 5.6972  -4.612343      8.274768 
1 1 1 -16 7   20 o 89.446  6.1679  981.367    133.047  1044.69    216.775  943.099    168.521  91.536  9.9187  87.339  8.0425  4.196861       12.76959 
1 1 1 -16 7   21 o 145.506 6.2248  2585.84    219.772  2815.15    341.560  2423.83    287.096  150.907 9.3745  140.229 8.4776  10.67807       12.63927 
1 1 1 -16 7   22 o 269.014 8.8283  8903.87    576.258  8320.46    849.896  9400.31    783.992  257.236 13.666  274.937 11.752  -17.70026      18.02390 
1 1 1 -16 7   23 o 160.502 6.5861  3151.34    256.491  3041.87    400.927  3227.18    333.717  156.319 10.634  161.754 8.5329  -5.435074      13.63390 
1 1 1 -16 7   24 o 75.278  4.3385  692.427    78.910   704.120    108.981  679.541    114.409  75.673  5.9841  74.258  6.4126  1.414886       8.771029 
1 1 1 -16 7   25 o 49.727  5.9030  306.487    69.834   254.694    79.992   472.440    143.187  44.932  7.6088  60.976  10.027  -16.04369      12.58670 
1 1 1 -16 7   26 o 126.793 5.0110  1962.55    154.166  1926.38    182.902  2051.33    286.507  125.449 6.0088  128.362 9.2611  -2.912971      11.03959 
1 1 1 -16 7   27 o 163.844 4.5720  3275.95    181.760  3254.55    256.310  3297.60    257.791  162.828 6.4874  163.903 6.4821  -1.075043      9.170856 
1 1 1 -16 7   28 o 27.675  6.9655  97.993     46.738   114.173    60.407   73.860     73.776   29.873  8.1207  26.061  9.2724  3.812071       12.32569 
1 1 1 -16 7   29 o 100.065 4.1512  1222.38    100.791  1115.04    140.013  1337.83    145.210  95.040  6.1038  104.230 5.7641  -9.190186      8.395315 
1 1 1 -16 7   30 o 93.819  4.1565  1075.49    94.619   1071.92    133.253  1079.13    134.378  93.143  5.9269  93.449  5.9575  -0.3053436     8.403513 
1 1 1 -16 7   31 o 51.111  4.9472  323.432    60.586   386.165    83.548   253.855    87.987   55.568  6.3082  44.326  8.4900  11.24268       10.57707 
1 1 1 -16 7   32 o 104.913 4.1714  1347.51    106.187  1366.69    150.018  1328.25    150.324  105.022 5.9111  103.494 6.0121  1.528908       8.431254 
1 1 1 -16 7   33 o 74.570  4.2971  684.053    77.421   561.091    106.314  822.890    112.969  66.852  6.6421  81.386  5.7578  -14.53420      8.790324 
1 1 1 -16 7   34 o 98.250  5.6045  1198.19    133.055  1191.56    166.340  1209.96    221.706  97.322  7.0929  96.690  9.5759  0.6311646      11.91666 
1 1 1 -16 7   35 o 50.626  6.3610  324.161    76.413   305.713    90.052   371.607    144.415  48.618  7.9053  52.061  11.715  -3.443100      14.13319 
1 1 1 -16 7   36 o 59.847  4.6606  443.999    67.145   496.516    92.080   384.361    98.123   62.843  6.1161  54.684  7.6006  8.159042       9.755841 
1 1 1 -16 7   37 o 61.240  5.3348  468.215    78.480   438.752    109.436  499.409    112.607  58.283  7.9455  62.394  7.5947  -4.110508      10.99136 
1 1 1 -16 7   38 o 34.444  8.1832  157.233    67.379   99.741     93.556   219.189    97.121   29.024  10.429  40.184  10.001  -11.15989      14.44947 
1 1 1 -16 7   39 o 43.455  6.8361  243.085    69.700   181.821    93.930   318.151    103.973  36.544  10.203  48.895  9.0986  -12.35172      13.67055 
1 1 1 -16 7   40 o 18.402  8.2663  -27.3427   76.923   -186.7395  163.258  18.142     87.210   22.121  10.603  22.309  9.4110  -0.1873817     14.17716 
1 1 1 -16 7   41 o 26.892  10.199  77.954     91.598   -302.4656  178.369  214.208    106.749  20.871  10.245  39.169  10.856  -18.29815      14.92700 
1 1 1 -16 7   42 o 21.322  8.2157  43.322     60.050   10.013     79.699   87.064     91.332   20.833  8.9003  27.486  10.234  -6.653257      13.56315 
1 1 1 -16 7   43 o 20.176  7.9666  34.447     57.601   -27.8898   78.349   107.768    84.972   18.392  8.2945  28.856  9.9752  -10.46433      12.97324 
1 1 1 -16 7   44 o 68.985  5.0489  598.543    83.924   605.112    117.848  591.783    119.542  68.126  7.2402  67.228  7.4538  0.8979797      10.39130 
1 1 1 -16 7   45 o 19.630  7.8404  31.320     56.387   83.495     78.235   -25.0790   81.341   26.097  9.5142  18.767  8.4589  7.329948       12.73077 
1 1 1 -16 7   46 o 20.221  7.9066  38.458     56.249   66.338     78.833   9.5438     80.283   24.521  9.4225  20.530  8.8546  3.990984       12.93011 
1 1 1 -16 7   47 o 23.939  8.2176  73.609     57.617   66.662     80.136   81.044     82.898   24.545  9.4815  25.901  9.7294  -1.356258      13.58530 
1 1 1 -16 7   48 o 10.720  5.3194  -119.3718  52.823   140.865    75.460   -369.4077  73.967   31.511  9.2580  ?       ?       0.000000       9.258037 
1 1 1 -16 7   49 o 17.592  7.8539  -14.3812   68.310   -22.9398   78.525   12.245     138.501  18.379  8.2948  25.451  11.283  -7.072742      14.00427 
1 1 1 -16 7   50 o 18.858  8.2179  1.5036     70.609   -20.6473   78.927   90.298     158.024  18.557  8.3512  30.122  12.685  -11.56425      15.18762 
1 1 1 -16 7   51 o 29.314  8.4806  119.579    63.756   87.654     81.951   168.527    101.476  26.366  9.7184  33.848  10.885  -7.482216      14.59183 
1 1 1 -16 7   52 o 80.393  7.1661  855.407    138.320  855.407    138.320  0.0000     0.0000   80.393  7.1661  ?       ?       0.000000       7.166091 
1 1 1 -16 7   53 o 37.069  15.900  220.187    256.180  220.187    256.180  0.0000     0.0000   37.069  15.900  ?       ?       0.000000       15.89990 
1 1 1 -16 8   1  o 283.752 6.3373  9827.81    436.321  10804.86   615.928  8843.60    618.181  296.783 8.5532  268.155 9.5009  28.62827       12.78374 
1 1 1 -16 8   2  o 116.423 4.0318  1648.49    113.895  1676.17    164.478  1622.99    157.868  117.243 5.7817  115.383 5.6388  1.860313       8.076161 
1 1 1 -16 8   3  o 195.296 6.8895  4660.71    326.469  0.0000     0.0000   4660.71    326.469  ?       ?       195.296 6.8895  0.000000       6.889465 
1 1 1 -16 8   4  o 288.564 8.8289  10222.42   618.176  0.0000     0.0000   10222.42   618.176  ?       ?       288.564 8.8289  0.000000       8.828903 
1 1 1 -16 8   5  o 185.601 6.6850  4207.71    301.055  0.0000     0.0000   4207.71    301.055  ?       ?       185.601 6.6850  0.000000       6.685023 
1 1 1 -16 8   6  o 127.140 4.1892  1966.33    129.235  2151.28    187.736  1799.76    178.169  132.819 5.8254  121.460 6.0456  11.35914       8.395483 
1 1 1 -16 8   7  f 271.307 6.0682  8980.23    399.468  9085.85    563.687  8873.67    566.187  272.155 8.5361  268.909 8.6774  3.245972       12.17218 
1 1 1 -16 8   8  o 201.345 5.5406  4941.32    270.684  4729.52    452.665  5059.21    337.716  196.095 9.5136  203.484 6.8400  -7.389679      11.71730 
1 1 1 -16 8   9  o 198.993 4.9147  4821.75    237.301  4630.48    334.737  5014.99    336.457  194.621 7.0884  202.593 6.8445  -7.971512      9.853568 
1 1 1 -16 8   10 o 197.403 6.9348  4762.28    332.162  4784.89    445.262  4733.91    498.776  197.298 9.3010  195.612 10.548  1.686371       14.06274 
1 1 1 -16 8   11 o 324.206 9.9082  12942.91   779.433  13074.53   1074.88  12796.95   1131.90  323.689 13.686  319.626 14.595  4.063324       20.00777 
1 1 1 -16 8   12 o 196.306 6.8231  4708.47    324.998  4391.62    432.954  5117.47    491.903  188.976 9.4422  203.846 9.9452  -14.87044      13.71352 
1 1 1 -16 8   13 o 111.023 5.7416  1506.94    154.143  1255.73    188.836  2008.58    266.842  100.981 7.7665  127.652 8.6665  -26.67138      11.63729 
1 1 1 -16 8   14 o 69.207  4.0035  584.444    66.942   566.584    92.860   603.767    96.590   67.935  5.6857  70.138  5.7256  -2.203163      8.069085 
1 1 1 -16 8   15 o 8.2017  4.0608  -70.4272   30.149   -72.4192   42.815   -68.4680   42.461   10.819  5.2460  10.923  5.2782  -0.1037369     7.441776 
1 1 1 -16 8   16 o 141.634 4.2426  2440.64    145.803  2325.34    202.788  2564.03    209.782  138.045 6.0542  144.970 5.9638  -6.924408      8.498282 
1 1 1 -16 8   17 o 155.756 4.5480  2952.99    171.880  2641.84    240.869  3275.81    245.344  147.029 6.7517  163.820 6.1722  -16.79150      9.147807 
1 1 1 -16 8   18 o 315.970 6.9085  12207.07   529.659  12203.69   749.535  12210.45   748.567  314.683 9.8165  314.778 9.8008  -0.9494019E-01 13.87151 
1 1 1 -16 8   19 o 198.102 5.8776  4788.83    282.520  5471.96    519.362  4501.73    336.693  210.552 10.166  191.786 7.2352  18.76569       12.47776 
1 1 1 -16 8   20 f 130.429 6.2042  2077.71    196.348  2063.05    319.564  2086.61    248.865  128.827 10.310  130.205 7.9148  -1.378113      12.99735 
1 1 1 -16 8   21 o 324.749 10.569  13054.51   832.827  10758.48   1214.22  15094.32   1144.47  289.524 17.364  346.947 13.595  -57.42343      22.05314 
1 1 1 -16 8   22 o 37.359  10.329  178.083    96.764   290.609    183.778  134.922    113.818  47.760  14.548  34.064  11.551  13.69567       18.57637 
1 1 1 -16 8   23 o 181.595 4.8642  4020.16    214.330  3992.01    302.707  4048.45    303.512  180.515 6.9111  181.794 6.8807  -1.279388      9.752254 
1 1 1 -16 8   24 o 82.187  4.9214  826.805    97.692   733.238    113.674  1091.15    191.067  77.185  6.1198  93.722  8.4942  -16.53712      10.46916 
1 1 1 -16 8   25 o 131.415 5.0851  2108.46    162.148  2116.88    192.282  2087.74    301.684  131.510 6.0258  129.368 9.6810  2.142014       11.40318 
1 1 1 -16 8   26 o 171.076 4.6808  3572.14    194.301  3645.24    274.349  3498.57    275.221  172.319 6.5615  168.769 6.7209  3.550812       9.392744 
1 1 1 -16 8   27 o 149.570 4.4336  2730.76    160.903  2616.71    226.580  2846.78    228.534  145.932 6.3989  152.275 6.1853  -6.343369      8.899664 
1 1 1 -16 8   28 o 145.416 4.3881  2582.98    154.828  2462.69    218.274  2704.79    219.652  141.462 6.3591  148.335 6.1028  -6.873489      8.813772 
1 1 1 -16 8   29 f 32.602  6.5023  135.601    49.633   144.442    64.690   122.950    77.387   33.419  8.0691  31.120  9.4319  2.298912       12.41253 
1 1 1 -16 8   30 o 12.176  5.6398  -32.8589   39.539   -31.8242   49.579   -34.6669   65.537   14.163  6.4700  16.636  7.5366  -2.472625      9.932802 
1 1 1 -16 8   31 o 41.281  5.7289  214.014    55.836   275.725    74.918   136.903    83.746   46.666  6.8176  32.559  9.7991  14.10662       11.93749 
1 1 1 -16 8   32 o 21.483  7.3140  53.821     45.633   116.791    57.427   -54.0571   75.166   29.960  7.8172  17.001  7.8400  12.95836       11.07133 
1 1 1 -16 8   33 o 50.373  6.2921  319.965    75.227   316.685    89.920   327.615    137.324  49.654  7.7138  49.013  11.708  0.6410027      14.02050 
1 1 1 -16 8   34 o 53.339  6.1409  358.298    78.026   352.200    93.675   372.117    141.007  52.384  7.5910  52.247  11.440  0.1376114      13.72933 
1 1 1 -16 8   35 o 26.642  8.1376  91.135     57.443   62.755     66.793   171.750    112.573  24.044  8.7871  35.906  11.456  -11.86178      14.43767 
1 1 1 -16 8   36 o 57.576  5.5699  415.280    76.840   453.168    107.438  375.604    109.943  59.385  7.6329  53.509  8.7719  5.875858       11.62788 
1 1 1 -16 8   37 o 90.793  4.6459  1019.79    102.007  1029.83    140.975  1008.75    147.784  90.431  6.4675  89.286  6.8744  1.145409       9.438478 
1 1 1 -16 8   38 o 48.918  6.1621  303.709    71.518   237.051    96.816   383.770    106.104  41.839  9.7220  54.177  8.3389  -12.33847      12.80837 
1 1 1 -16 8   39 o 53.467  8.2974  374.799    104.156  121.587    202.533  465.846    121.447  35.624  14.626  59.532  8.6616  -23.90740      16.99806 
1 1 1 -16 8   40 o 59.531  7.8692  461.473    110.883  648.044    222.447  399.789    127.906  66.148  14.278  54.191  10.099  11.95649       17.48862 
1 1 1 -16 8   41 o 46.126  6.6929  274.739    72.720   241.631    95.153   321.228    112.756  41.983  9.5554  48.364  9.9407  -6.380348      13.78857 
1 1 1 -16 8   42 o 34.356  7.7315  158.090    62.894   199.843    87.037   112.462    90.986   38.018  9.4704  29.518  10.315  8.500114       14.00350 
1 1 1 -16 8   43 o 82.805  4.8083  858.011    96.193   868.720    132.997  846.263    139.296  82.143  6.7319  80.749  7.1846  1.394447       9.845654 
1 1 1 -16 8   44 o 47.577  6.3527  293.484    71.505   358.459    96.872   215.701    105.990  51.774  7.9666  38.549  10.865  13.22461       13.47259 
1 1 1 -16 8   45 o 12.161  5.8904  -81.7219   53.647   -40.1877   72.342   -132.4737  79.967   16.817  7.7316  14.331  6.9978  2.486235       10.42818 
1 1 1 -16 8   46 o 37.970  7.2375  193.768    64.246   254.757    90.196   130.952    91.536   42.658  8.9972  30.567  10.359  12.09126       13.72078 
1 1 1 -16 8   47 o 49.579  6.0518  319.272    71.291   193.238    101.840  440.382    99.831   36.077  10.794  57.514  7.3195  -21.43712      13.04188 
1 1 1 -16 8   48 o 48.836  8.6698  330.442    98.971   398.575    115.410  141.061    192.411  53.289  9.2619  33.545  14.056  19.74333       16.83285 
1 1 1 -16 8   49 o 19.368  8.4876  -0.5044    76.265   -57.0429   86.654   193.781    160.633  17.749  8.2647  35.694  13.513  -17.94424      15.84024 
1 1 1 -16 8   50 o 21.882  8.2836  52.869     60.357   65.582     77.480   33.245     96.260   24.228  9.3331  23.337  9.8684  0.8908043      13.58277 
1 1 1 -16 8   51 o 42.815  9.2080  260.051    92.818   260.051    92.818   0.0000     0.0000   42.815  9.2080  ?       ?       0.000000       9.208015 
1 1 1 -16 8   52 o 31.253  14.333  36.052     246.505  36.052     246.505  0.0000     0.0000   31.253  14.333  ?       ?       0.000000       14.33280 
1 1 1 -16 8   53 f 35.751  11.868  203.097    120.191  212.676    289.709  201.105    132.095  36.496  16.242  35.365  12.425  1.130867       20.44997 
1 1 1 -16 9   1  o 123.398 4.6110  1853.37    138.060  1952.11    176.278  1696.71    222.039  126.529 5.7418  117.454 7.8361  9.075302       9.714524 
1 1 1 -16 9   2  o 248.183 6.5573  7522.05    394.876  8689.10    670.137  6901.31    488.737  265.424 10.405  237.196 8.4919  28.22766       13.43073 
1 1 1 -16 9   3  o 22.776  7.3584  61.573     46.337   0.0000     0.0000   61.573     46.337   ?       ?       22.776  7.3584  0.000000       7.358410 
1 1 1 -16 9   4  o 22.253  7.7458  54.196     51.278   0.0000     0.0000   54.196     51.278   ?       ?       22.253  7.7458  0.000000       7.745839 
1 1 1 -16 9   5  o 255.718 5.8307  7974.83    361.780  8738.24    512.168  7214.60    511.101  267.098 7.9028  242.456 8.6878  24.64116       11.74442 
1 1 1 -16 9   6  o 110.704 3.9190  1490.34    105.269  1411.54    147.009  1573.28    150.810  107.453 5.6584  113.616 5.4705  -6.162430      7.870416 
1 1 1 -16 9   7  o 38.440  4.8495  182.736    44.224   227.954    61.933   135.691    63.171   42.795  6.1404  32.641  8.0310  10.15334       10.10943 
1 1 1 -16 9   8  o 112.109 4.6745  1529.94    127.156  1537.80    148.411  1508.25    246.581  112.330 5.4451  110.392 9.2921  1.937485       10.77001 
1 1 1 -16 9   9  o 170.357 6.4508  3543.46    266.646  3629.45    353.632  3430.13    405.945  172.015 8.4727  166.554 10.093  5.460861       13.17750 
1 1 1 -16 9   10 o 135.214 5.8525  2229.78    192.012  2315.53    250.721  2108.14    298.605  137.347 7.5523  130.587 9.4888  6.760513       12.12740 
1 1 1 -16 9   11 o 83.719  5.3885  857.618    108.877  785.790    137.110  980.222    179.132  79.852  7.1522  89.022  8.3921  -9.169189      11.02641 
1 1 1 -16 9   12 o 240.348 6.2788  7051.23    366.167  6685.15    616.450  7250.81    455.165  232.595 10.923  243.350 7.7086  -10.75453      13.36896 
1 1 1 -16 9   13 o 138.738 4.1353  2341.44    139.210  2291.86    196.565  2391.32    197.181  137.071 5.9101  140.027 5.8035  -2.956360      8.283125 
1 1 1 -16 9   14 o 187.784 4.8153  4293.79    219.405  4171.53    308.088  4419.60    312.531  184.742 6.8730  190.176 6.7729  -5.434021      9.649312 
1 1 1 -16 9   15 o 150.789 4.2346  2766.42    154.934  2615.44    216.148  2925.97    222.197  146.394 6.0851  154.867 5.9131  -8.472305      8.484850 
1 1 1 -16 9   16 o 211.398 5.2088  5445.60    267.180  5215.66    376.000  5680.11    379.726  206.400 7.5078  215.456 7.2635  -9.056396      10.44636 
1 1 1 -16 9   17 o 70.915  4.6244  614.861    79.136   488.465    105.873  774.883    119.126  62.806  7.0703  79.424  6.2315  -16.61809      9.424444 
1 1 1 -16 9   18 o 146.487 4.4313  2612.04    157.506  2292.95    219.624  2949.95    226.007  136.970 6.6083  155.460 5.9915  -18.49048      8.920131 
1 1 1 -16 9   19 o 138.123 6.2894  2330.64    210.786  2377.65    336.705  2300.34    270.307  138.411 10.095  136.659 8.1896  1.752197       12.99939 
1 1 1 -16 9   20 o 23.361  9.4646  28.879     83.449   18.725     182.149  31.576     93.880   32.133  13.581  24.689  10.026  7.443542       16.88056 
1 1 1 -16 9   21 o 208.962 7.4127  5353.56    375.846  5413.17    571.569  5308.15    498.869  208.375 11.347  207.216 9.9220  1.158966       15.07355 
1 1 1 -16 9   22 o 149.916 4.4608  2737.80    162.266  2706.47    229.864  2768.92    229.096  148.742 6.3690  150.466 6.2750  -1.724503      8.940921 
1 1 1 -16 9   23 o 89.372  4.2410  972.903    91.969   898.729    128.796  1050.07    131.369  85.476  6.2534  92.497  5.8839  -7.020302      8.586363 
1 1 1 -16 9   24 o 175.778 5.6798  3777.99    242.251  4033.66    290.579  3195.32    438.667  181.380 6.6025  159.411 11.417  21.96988       13.18837 
1 1 1 -16 9   25 o 220.932 5.4224  5969.22    290.679  6236.20    411.620  5703.63    410.548  224.986 7.5401  215.019 7.8691  9.967270       10.89840 
1 1 1 -16 9   26 o 115.090 4.2686  1616.03    119.203  1407.70    167.453  1830.05    169.728  106.836 6.4904  122.202 5.7241  -15.36578      8.653985 
1 1 1 -16 9   27 o 64.302  4.5093  507.623    69.910   500.971    97.026   514.805    100.819  63.502  6.3835  64.342  6.5491  -0.8396111     9.145451 
1 1 1 -16 9   28 o 75.805  4.2395  704.278    77.665   671.381    106.902  741.052    113.024  73.623  6.0374  77.363  6.0698  -3.740280      8.561099 
1 1 1 -16 9   29 o 36.274  5.9118  166.124    50.241   177.979    67.040   150.936    75.882   37.165  7.6878  34.047  9.0355  3.118252       11.86356 
1 1 1 -16 9   30 o 70.551  4.3076  611.733    73.387   616.210    100.263  606.567    107.706  70.411  5.9237  69.704  6.4411  0.7074051      8.750906 
1 1 1 -16 9   31 o 103.859 4.2072  1321.69    106.024  1355.57    148.418  1286.38    151.511  104.539 5.8750  101.714 6.1682  2.824951       8.518368 
1 1 1 -16 9   32 o 42.957  7.0903  236.328    71.325   220.644    85.889   271.175    128.025  40.932  8.9014  44.607  11.688  -3.674736      14.69149 
1 1 1 -16 9   33 o 37.238  7.5633  180.436    66.005   179.446    76.477   183.326    130.682  36.838  8.6956  37.303  12.375  -0.4647064     15.12473 
1 1 1 -16 9   34 o 46.583  6.6255  276.476    72.778   304.806    86.272   206.564    135.526  48.626  7.5575  39.031  12.582  9.595314       14.67702 
1 1 1 -16 9   35 o 30.116  7.7218  119.309    56.694   153.676    84.112   90.697     76.747   33.898  9.7218  27.373  9.4791  6.525764       13.57816 
1 1 1 -16 9   36 o 41.655  6.8671  223.461    66.989   221.538    92.266   225.606    97.417   40.549  9.5374  40.795  9.9342  -0.2456245     13.77133 
1 1 1 -16 9   37 o 21.842  8.2151  47.943     59.138   64.348     80.878   29.095     86.693   25.187  9.5759  23.041  9.5259  2.145784       13.50701 
1 1 1 -16 9   38 o 37.695  10.153  194.463    94.943   454.132    179.774  94.023     111.807  55.994  13.409  29.469  11.246  26.52527       17.50053 
1 1 1 -16 9   39 o 51.252  8.5410  347.551    102.477  75.798     199.581  444.848    119.421  33.304  14.153  58.000  8.7585  -24.69624      16.64354 
1 1 1 -16 9   40 o 25.403  9.9518  61.743     89.241   -10.1118   174.903  87.034     103.764  28.222  12.586  28.261  10.822  -0.3820229E-01 16.59872 
1 1 1 -16 9   41 o 46.215  6.4736  275.552    70.600   271.411    95.343   280.578    105.049  44.645  9.1099  45.006  9.8897  -0.3611565     13.44606 
1 1 1 -16 9   42 o 31.333  8.3806  133.697    64.957   131.829    86.850   136.069    97.858   31.081  10.077  31.646  10.711  -0.5645561     14.70642 
1 1 1 -16 9   43 o 29.461  8.6914  118.659    66.385   58.882     90.788   187.340    97.315   24.943  9.9531  36.172  10.481  -11.22936      14.45406 
1 1 1 -16 9   44 o 27.030  8.6172  98.393     63.707   198.816    89.328   -5.5573    90.884   37.362  9.7501  20.807  9.1864  16.55488       13.39609 
1 1 1 -16 9   45 o 54.363  5.9701  381.596    77.453   321.613    108.333  444.315    110.776  47.601  9.7085  57.267  8.2068  -9.666161      12.71243 
1 1 1 -16 9   46 o 31.626  8.2294  139.133    63.757   108.104    92.060   167.734    88.383   28.491  10.331  33.996  10.028  -5.505379      14.39769 
1 1 1 -16 9   47 o 64.604  5.2062  531.498    80.918   374.320    113.737  692.599    115.147  51.432  9.4625  72.805  6.5896  -21.37257      11.53092 
1 1 1 -16 9   48 o 18.177  8.0850  -11.2736   71.682   -31.3527   80.059   69.895     160.965  18.116  8.2547  29.201  12.566  -11.08579      15.03492 
1 1 1 -16 9   49 o 23.860  8.3348  72.630     59.396   88.494     82.993   55.973     85.043   26.463  9.7752  23.976  9.6102  2.486923       13.70803 
1 1 1 -16 9   50 o 31.411  10.024  141.812    86.196   141.812    86.196   0.0000     0.0000   31.411  10.024  ?       ?       0.000000       10.02441 
1 1 1 -16 9   51 o 37.433  16.812  199.962    318.014  199.962    318.014  0.0000     0.0000   37.433  16.812  ?       ?       0.000000       16.81171 
1 1 1 -16 9   52 o 21.460  9.6967  -16.1004   107.666  47.261     282.945  -26.8281   116.424  32.248  14.988  21.762  9.9309  10.48595       17.97992 
1 1 1 -16 10  1  o 40.733  5.0747  205.191    49.068   222.411    80.768   195.118    61.775   41.887  8.2404  39.431  6.6963  2.456398       10.61814 
1 1 1 -16 10  2  o 147.583 5.9474  2656.95    212.975  0.0000     0.0000   2656.95    212.975  ?       ?       147.583 5.9474  0.000000       5.947421 
1 1 1 -16 10  3  o 102.852 5.4285  1292.80    134.995  0.0000     0.0000   1292.80    134.995  ?       ?       102.852 5.4285  0.000000       5.428515 
1 1 1 -16 10  4  o 153.176 6.0448  2862.67    224.663  0.0000     0.0000   2862.67    224.663  ?       ?       153.176 6.0448  0.000000       6.044760 
1 1 1 -16 10  5  o 49.392  5.0613  300.222    59.801   427.261    100.562  230.719    74.382   58.677  7.2153  42.826  7.4274  15.85138       10.35497 
1 1 1 -16 10  6  o 163.542 4.4700  3254.90    177.378  3275.13    249.217  3234.12    252.515  163.804 6.2703  162.755 6.3942  1.048569       8.955631 
1 1 1 -16 10  7  f 71.054  5.6800  619.462    97.109   645.986    117.055  560.909    173.917  72.408  6.7399  66.499  11.175  5.909210       13.05021 
1 1 1 -16 10  8  o 126.862 7.4859  1976.26    229.411  1976.26    229.411  0.0000     0.0000   126.862 7.4859  ?       ?       0.000000       7.485923 
1 1 1 -16 10  9  o 205.310 7.1278  5154.48    355.085  5062.91    474.876  5270.62    534.777  202.815 9.6497  206.327 10.719  -3.511383      14.42264 
1 1 1 -16 10  10 o 165.022 6.3073  3324.40    252.551  3233.98    333.487  3445.98    386.717  162.137 8.5065  167.076 9.5793  -4.939072      12.81106 
1 1 1 -16 10  11 o 133.960 4.1150  2182.95    133.754  2188.94    188.676  2176.90    189.641  133.968 5.8043  133.593 5.8504  0.3744354      8.241189 
1 1 1 -16 10  12 f 89.023  3.8186  963.704    82.484   977.246    116.951  950.301    116.351  89.380  5.4182  88.128  5.4682  1.252197       7.697888 
1 1 1 -16 10  13 o 114.428 6.2634  1603.21    173.243  1468.96    319.852  1658.95    206.092  108.052 12.426  116.209 7.3468  -8.156868      14.43539 
1 1 1 -16 10  14 o 111.044 3.8959  1499.66    104.970  1613.63    148.775  1386.69    148.129  115.063 5.3288  106.472 5.7551  8.591194       7.843292 
1 1 1 -16 10  15 o 51.514  5.0327  326.340    62.102   344.171    80.093   299.460    98.341   52.707  6.3936  48.683  8.6417  4.023800       10.74975 
1 1 1 -16 10  16 o 204.189 5.0595  5079.99    250.670  4788.92    352.072  5379.23    356.981  197.787 7.3362  209.703 7.0158  -11.91618      10.15090 
1 1 1 -16 10  17 o 112.252 4.1834  1533.30    113.944  1260.88    156.196  1843.19    166.588  101.394 6.3814  122.929 5.5850  -21.53479      8.480227 
1 1 1 -16 10  18 o 107.732 6.1204  1421.94    159.330  1142.19    263.360  1583.44    200.105  95.234  11.639  113.478 7.3063  -18.24434      13.74247 
1 1 1 -16 10  19 o 76.504  6.9946  722.311    128.404  599.343    236.714  773.579    152.845  67.704  14.820  78.977  8.0902  -11.27265      16.88483 
1 1 1 -16 10  20 o 152.188 6.5070  2833.07    240.282  2850.48    380.383  2821.51    309.951  151.355 10.421  151.218 8.4817  0.1368103      13.43647 
1 1 1 -16 10  21 o 186.550 4.9356  4243.34    223.408  4205.33    316.969  4280.86    314.936  185.230 7.0525  186.915 6.9441  -1.684967      9.897356 
1 1 1 -16 10  22 o 53.130  4.8576  347.092    61.929   359.317    85.031   333.283    90.375   53.758  6.6614  51.586  7.4349  2.171928       9.982577 
1 1 1 -16 10  23 f 162.619 5.4365  3231.44    214.514  3445.12    257.319  2744.57    388.408  167.699 6.3238  147.915 10.899  19.78333       12.60061 
1 1 1 -16 10  24 f 153.137 4.5302  2860.93    168.329  2870.73    238.446  2851.20    237.661  152.971 6.4242  152.449 6.4249  0.5212250      9.085696 
1 1 1 -16 10  25 f 119.768 4.2159  1749.76    122.517  1570.54    173.903  1926.38    172.635  112.901 6.3742  125.391 5.6741  -12.48946      8.533799 
1 1 1 -16 10  26 o 94.060  4.1608  1079.82    94.962   979.264    134.354  1180.20    134.239  89.027  6.2594  97.925  5.6740  -8.897415      8.448300 
1 1 1 -16 10  27 o 151.384 4.5727  2803.24    167.965  2639.22    237.923  2966.20    237.158  146.202 6.7068  155.154 6.2996  -8.951492      9.201421 
1 1 1 -16 10  28 o 111.579 4.2240  1522.42    114.358  1487.98    162.805  1555.96    160.670  109.666 6.1430  112.227 5.9213  -2.560722      8.532154 
1 1 1 -16 10  29 o 96.502  4.2848  1140.19    100.329  1039.70    140.519  1244.69    143.296  91.440  6.3732  100.249 5.9172  -8.808899      8.696622 
1 1 1 -16 10  30 o 90.289  4.2460  998.958    93.020   944.206    129.934  1056.52    133.227  87.089  6.1892  92.220  5.9863  -5.130859      8.610577 
1 1 1 -16 10  31 o 33.566  7.8950  147.290    63.223   164.585    72.910   94.873     126.934  35.365  8.5834  30.958  11.940  4.406889       14.70526 
1 1 1 -16 10  32 o 22.428  8.1576  53.980     57.467   20.008     67.765   140.977    108.443  20.445  8.4345  33.336  11.275  -12.89145      14.08103 
1 1 1 -16 10  33 o 32.388  7.9289  138.057    61.809   158.189    72.200   82.826     119.589  34.538  8.6377  29.478  11.528  5.060520       14.40501 
1 1 1 -16 10  34 o 56.233  4.8466  393.260    65.484   380.221    88.181   409.290    97.778   54.650  6.7968  56.533  7.2986  -1.882751      9.973262 
1 1 1 -16 10  35 o 65.424  5.1534  533.360    81.145   432.167    113.119  640.635    116.468  57.614  8.3339  71.060  6.8393  -13.44623      10.78099 
1 1 1 -16 10  36 f 54.154  5.7806  369.415    74.782   281.683    104.877  460.157    106.661  45.677  9.7590  59.799  7.5172  -14.12149      12.31854 
1 1 1 -16 10  37 o 72.618  5.0443  656.908    88.330   570.611    123.549  747.139    126.333  66.452  7.8114  76.645  6.8659  -10.19261      10.39996 
1 1 1 -16 10  38 o 50.634  8.9051  341.553    105.413  220.340    237.056  371.430    117.690  41.075  16.180  52.497  9.5927  -11.42267      18.80969 
1 1 1 -16 10  39 o 36.941  10.630  189.904    100.412  261.111    217.511  170.618    113.195  42.370  15.790  35.214  11.510  7.155598       19.53987 
1 1 1 -16 10  40 o 41.976  7.0089  230.230    68.869   173.072    97.041   288.232    97.754   35.221  10.537  46.087  9.0645  -10.86630      13.89910 
1 1 1 -16 10  41 o 23.471  8.5365  63.837     62.929   65.897     91.757   62.008     86.468   25.673  10.081  25.001  9.7955  0.6720142      14.05634 
1 1 1 -16 10  42 o 20.137  8.1240  30.742     61.205   110.743    85.648   -52.7474   87.496   28.950  10.014  18.236  8.4263  10.71418       13.08783 
1 1 1 -16 10  43 o 23.903  8.5331  69.966     62.529   46.919     87.342   94.198     89.559   23.722  9.6562  27.500  10.155  -3.778488      14.01326 
1 1 1 -16 10  44 o 67.334  5.4551  577.857    88.359   645.641    123.485  506.738    126.486  69.840  7.3998  60.751  8.8400  9.088188       11.52831 
1 1 1 -16 10  45 f 38.738  7.8426  205.255    71.187   211.946    100.323  198.469    101.028  37.874  10.534  36.584  10.702  1.289936       15.01643 
1 1 1 -16 10  46 o 50.982  6.2601  339.421    75.812   511.404    104.636  149.376    109.993  62.143  7.0651  32.128  11.334  30.01504       13.35531 
1 1 1 -16 10  47 o 30.526  9.8189  132.810    82.574   90.332     93.463   283.917    176.277  27.025  10.289  40.962  14.356  -13.93669      17.66233 
1 1 1 -16 10  48 o 29.854  9.7985  125.737    82.010   149.929    92.295   34.975     178.770  32.156  10.385  28.663  12.758  3.493128       16.44985 
1 1 1 -16 10  49 o 22.490  8.4330  58.048     62.224   92.393     80.685   7.6449     97.745   26.673  9.6715  21.962  9.6167  4.711668       13.63890 
1 1 1 -16 10  50 o 42.839  9.8865  267.165    100.677  267.165    100.677  0.0000     0.0000   42.839  9.8865  ?       ?       0.000000       9.886484 
1 1 1 -16 10  51 o 38.570  16.931  266.236    304.654  266.236    304.654  0.0000     0.0000   38.570  16.931  ?       ?       0.000000       16.93148 
1 1 1 -16 11  1  o 147.729 5.9832  2662.57    214.469  0.0000     0.0000   2662.57    214.469  ?       ?       147.729 5.9832  0.000000       5.983199 
1 1 1 -16 11  2  o 109.765 5.5224  1472.37    146.610  0.0000     0.0000   1472.37    146.610  ?       ?       109.765 5.5224  0.000000       5.522376 
1 1 1 -16 11  3  o 101.215 5.4970  1252.40    134.493  0.0000     0.0000   1252.40    134.493  ?       ?       101.215 5.4970  0.000000       5.496968 
1 1 1 -16 11  4  o 155.187 4.3493  2930.46    163.773  3320.15    233.074  2550.41    230.171  164.990 5.8220  144.501 6.5647  20.48862       8.774483 
1 1 1 -16 11  5  o 69.420  4.2186  588.435    70.721   503.598    112.871  643.265    90.741   63.730  7.4392  72.479  5.1942  -8.748875      9.073118 
1 1 1 -16 11  6  o 116.497 5.5629  1654.54    157.246  1451.69    200.021  1982.76    254.429  108.629 7.6372  126.889 8.3097  -18.25981      11.28617 
1 1 1 -16 11  7  o 101.371 5.5563  1256.48    136.147  1104.33    169.716  1531.17    228.034  94.709  7.4453  111.395 8.5008  -16.68633      11.30027 
1 1 1 -16 11  8  o 103.865 5.6095  1319.10    140.847  1336.78    177.475  1289.02    231.495  104.326 7.0524  101.937 9.4675  2.389862       11.80552 
1 1 1 -16 11  9  o 47.123  6.8133  276.878    75.641   303.384    87.393   197.727    151.019  49.230  7.5577  40.523  13.297  8.706562       15.29433 
1 1 1 -16 11  10 f 248.341 5.6822  7520.87    342.397  7325.10    482.439  7719.56    486.026  244.430 8.1344  250.974 7.9812  -6.544022      11.39594 
1 1 1 -16 11  11 o 130.660 4.0660  2076.70    128.905  2066.30    182.011  2087.17    182.590  130.158 5.7632  130.815 5.7525  -0.6567078     8.142829 
1 1 1 -16 11  12 o 194.661 4.9320  4615.41    232.951  4478.09    329.040  4753.41    329.846  191.342 7.0872  197.180 6.8942  -5.837372      9.887290 
1 1 1 -16 11  13 o 41.703  4.9209  214.742    48.834   268.254    68.832   160.508    69.295   46.461  6.2654  35.479  8.2118  10.98223       10.32910 
1 1 1 -16 11  14 o 186.128 4.9354  4220.11    222.894  4111.62    314.739  4329.27    315.702  183.327 7.0755  188.152 6.9152  -4.824768      9.893594 
1 1 1 -16 11  15 o 138.308 4.2795  2328.01    143.618  2321.44    202.308  2334.70    203.914  137.898 6.0463  138.287 6.0772  -0.3888855     8.572599 
1 1 1 -16 11  16 o 57.597  6.2634  409.921    86.124   467.763    170.830  390.209    99.724   60.317  12.093  55.947  7.5381  4.369984       14.25042 
1 1 1 -16 11  17 o 29.518  9.6679  103.485    79.853   46.448     147.493  127.136    94.977   30.623  12.516  32.512  10.538  -1.888702      16.36178 
1 1 1 -16 11  18 o 100.444 6.2462  1237.62    151.476  809.573    242.294  1512.27    194.079  79.498  13.011  110.870 7.2544  -31.37125      14.89684 
1 1 1 -16 11  19 o 64.254  7.1261  511.903    109.229  390.739    180.613  581.772    137.153  54.709  13.650  68.269  8.4610  -13.55992      16.05986 
1 1 1 -16 11  20 o 44.153  5.9470  242.461    62.092   218.063    79.755   280.004    98.934   41.400  8.2295  46.887  9.0238  -5.486893      12.21282 
1 1 1 -16 11  21 o 228.359 5.4745  6369.36    303.341  6127.33    427.757  6614.20    430.232  223.170 7.8995  231.970 7.6438  -8.799469      10.99220 
1 1 1 -16 11  22 o 41.053  6.9552  212.419    66.808   258.493    79.178   98.536     124.482  45.278  7.4673  31.854  11.931  13.42352       14.07512 
1 1 1 -16 11  23 o 210.300 5.5117  5410.02    281.246  6541.44    399.445  4297.69    396.062  230.606 7.1387  186.272 8.7630  44.33408       11.30271 
1 1 1 -16 11  24 f 134.142 4.4933  2196.64    146.249  2000.49    207.787  2389.21    205.883  127.349 6.7486  139.540 6.0807  -12.19152      9.083958 
1 1 1 -16 11  25 o 11.292  5.3969  -56.4097   41.630   -57.8195   52.118   -53.9246   69.195   13.218  6.2353  16.240  7.5006  -3.022021      9.753850 
1 1 1 -16 11  26 o 48.527  5.1654  291.842    59.886   248.190    81.228   343.822    88.639   44.074  7.8851  52.250  7.1814  -8.176636      10.66520 
1 1 1 -16 11  27 o 58.456  4.6291  421.040    65.121   347.832    89.483   503.468    94.950   52.487  7.2172  63.585  6.2344  -11.09859      9.537095 
1 1 1 -16 11  28 o 112.421 4.2784  1547.28    116.707  1524.65    164.244  1570.37    165.864  110.911 6.1269  112.579 6.0947  -1.667931      8.641951 
1 1 1 -16 11  29 o 68.356  4.5228  575.734    74.591   572.583    103.085  579.197    108.068  67.668  6.3528  67.969  6.6374  -0.3014755     9.187654 
1 1 1 -16 11  30 o 81.325  4.3152  813.729    84.847   694.889    117.482  943.293    122.668  74.436  6.5721  87.089  5.8389  -12.65223      8.791198 
1 1 1 -16 11  31 o 73.771  5.7610  678.711    102.303  641.690    123.002  761.797    184.267  71.168  7.2231  76.081  10.242  -4.913071      12.53288 
1 1 1 -16 11  32 o 57.464  6.1702  415.914    84.685   427.283    100.035  387.159    159.096  57.845  7.2891  52.621  12.623  5.224499       14.57611 
1 1 1 -16 11  33 o 35.814  6.3580  164.770    53.227   123.674    70.843   218.043    80.658   30.632  8.9620  40.626  8.4573  -9.994473      12.32243 
1 1 1 -16 11  34 o 40.412  7.4898  212.792    70.738   216.334    98.665   209.045    101.471  39.865  10.168  39.118  10.480  0.7476349      14.60171 
1 1 1 -16 11  35 o 74.561  4.9768  691.222    89.520   739.018    125.788  642.170    127.429  76.291  6.8689  70.757  7.5384  5.534073       10.19844 
1 1 1 -16 11  36 o 66.179  5.3397  547.816    85.013   605.185    117.025  483.709    123.707  68.808  7.1120  60.710  8.6418  8.097317       11.19198 
1 1 1 -16 11  37 o 62.037  8.1555  502.377    119.787  507.621    244.166  500.715    137.467  56.562  16.663  61.151  9.5793  -4.588692      19.22064 
1 1 1 -16 11  38 o 55.665  8.7757  412.057    114.604  149.727    240.794  488.883    130.310  37.829  15.777  60.495  9.1646  -22.66615      18.24534 
1 1 1 -16 11  39 o 18.741  7.8981  11.735     61.326   5.7973     90.121   16.856     83.690   21.673  9.3644  21.676  9.1856  -0.2370834E-02 13.11742 
1 1 1 -16 11  40 f 12.941  6.2273  -79.9909   57.597   -45.1434   78.067   -121.6198  85.325   17.473  8.0325  15.466  7.4758  2.006589       10.97310 
1 1 1 -16 11  41 o 57.546  5.6746  421.825    78.204   386.789    110.157  457.426    111.042  53.369  8.8143  58.634  8.0149  -5.264454      11.91350 
1 1 1 -16 11  42 o 10.066  5.0280  -130.2937  50.532   -40.2291   70.927   -223.1327  72.011   16.649  7.6546  11.155  5.6283  5.493692       9.501076 
1 1 1 -16 11  43 o 40.358  7.3234  218.447    69.073   267.738    96.350   166.328    99.075   43.564  9.3917  33.841  10.742  9.722832       14.26842 
1 1 1 -16 11  44 o 38.609  7.9042  204.260    71.554   208.376    102.190  200.302    100.224  37.463  10.707  36.780  10.631  0.6826630      15.08791 
1 1 1 -16 11  45 o 34.875  8.1849  169.253    68.072   136.619    92.541   207.729    100.485  30.899  10.416  37.355  10.597  -6.455927      14.85883 
1 1 1 -16 11  46 o 23.333  9.4173  50.938     82.280   57.612     88.518   8.5261     223.133  24.268  9.7771  29.799  13.655  -5.530949      16.79426 
1 1 1 -16 11  47 o 39.616  9.9197  228.757    95.139   306.624    109.885  -4.3793    190.136  45.879  10.141  27.841  12.700  18.03774       16.25177 
1 1 1 -16 11  48 o 40.440  7.7772  223.508    73.542   151.512    95.986   325.842    114.437  32.245  10.601  47.245  10.275  -15.00034      14.76388 
1 1 1 -16 11  49 o 25.943  9.7881  83.179     84.094   83.179     84.094   0.0000     0.0000   25.943  9.7881  ?       ?       0.000000       9.788100 
1 1 1 -16 11  50 o 32.376  15.209  16.404     304.392  16.404     304.392  0.0000     0.0000   32.376  15.209  ?       ?       0.000000       15.20934 
1 1 1 -16 11  51 o 27.059  11.029  84.608     114.144  199.468    312.972  66.987     122.588  36.003  16.373  26.453  11.159  9.549540       19.81351 
1 1 1 -16 12  1  o 77.583  6.6733  740.744    124.401  0.0000     0.0000   740.744    124.401  ?       ?       77.583  6.6733  0.000000       6.673274 
1 1 1 -16 12  2  o 105.055 5.4989  1349.05    139.683  0.0000     0.0000   1349.05    139.683  ?       ?       105.055 5.4989  0.000000       5.498885 
1 1 1 -16 12  3  o 73.800  4.0519  664.488    72.279   723.687    109.033  618.079    96.540   76.799  5.8962  70.974  5.6528  5.824905       8.168134 
1 1 1 -16 12  4  o 64.017  5.5864  503.415    85.904   475.375    105.285  559.258    148.580  61.946  7.1351  66.792  9.4302  -4.846828      11.82535 
1 1 1 -16 12  5  o 105.104 5.5270  1350.44    140.456  1388.89    179.065  1288.95    226.444  106.358 6.9773  101.976 9.2524  4.382622       11.58832 
1 1 1 -16 12  6  o 129.043 5.6890  2030.74    178.128  1924.82    231.462  2184.59    278.955  125.142 7.6596  133.112 8.6844  -7.969902      11.57965 
1 1 1 -16 12  7  o 305.420 9.3624  11476.92   693.823  11111.93   952.484  11889.53   1012.71  298.507 13.150  308.532 13.528  -10.02448      18.86611 
1 1 1 -16 12  8  o 300.984 9.2241  11142.01   673.647  10660.22   923.858  11689.01   984.380  292.439 13.020  306.077 13.255  -13.63757      18.57961 
1 1 1 -16 12  9  o 197.843 4.9395  4767.59    237.119  4678.27    332.922  4859.55    337.803  195.587 7.0152  199.348 6.9837  -3.760498      9.898753 
1 1 1 -16 12  10 o 47.929  4.5073  282.080    51.802   192.621    73.437   370.675    73.082   38.940  8.0388  54.858  5.5676  -15.91754      9.778621 
1 1 1 -16 12  11 o 118.562 3.9926  1709.91    114.859  1555.26    160.732  1871.31    164.195  112.746 5.8958  123.889 5.4621  -11.14272      8.037166 
1 1 1 -16 12  12 o 282.062 6.3323  9717.20    433.381  10030.57   612.179  9402.37    613.611  285.672 8.8317  276.452 9.1477  9.220428       12.71532 
1 1 1 -16 12  13 o 45.437  5.1157  254.732    55.419   196.786    78.158   313.326    78.594   39.301  8.4475  50.209  6.6120  -10.90833      10.72749 
1 1 1 -16 12  14 o 173.538 4.7092  3667.71    198.290  3667.69    280.748  3667.74    280.102  173.200 6.6804  173.204 6.6649  -0.4257202E-02 9.436597 
1 1 1 -16 12  15 o 111.959 5.9553  1534.60    161.199  1670.50    258.245  1447.84    206.333  116.109 9.2430  108.362 7.9019  7.747398       12.16032 
1 1 1 -16 12  16 o 50.436  8.1039  319.901    95.814   429.281    166.639  265.879    117.109  57.653  12.288  45.442  10.783  12.21036       16.34838 
1 1 1 -16 12  17 o 82.996  6.2380  846.573    124.703  826.514    212.040  857.179    154.187  80.892  11.095  83.237  7.7222  -2.345078      13.51820 
1 1 1 -16 12  18 o 136.135 6.3456  2266.64    209.608  1857.52    327.969  2549.14    272.532  121.724 11.231  143.861 7.8370  -22.13729      13.69500 
1 1 1 -16 12  19 o 140.624 4.3989  2409.01    150.096  2231.26    207.894  2602.55    216.929  135.036 6.3449  145.881 6.1285  -10.84459      8.821374 
1 1 1 -16 12  20 o 31.229  7.4116  124.550    55.318   153.076    69.691   75.968     90.948   34.565  8.3934  27.701  10.233  6.864651       13.23480 
1 1 1 -16 12  21 o 94.016  5.1185  1082.49    116.324  1018.89    131.342  1313.85    250.512  91.047  5.9785  102.270 10.233  -11.22281      11.85112 
1 1 1 -16 12  22 o 106.078 4.2409  1371.94    109.156  1233.49    149.520  1529.95    159.725  100.120 6.1851  111.607 5.9194  -11.48666      8.561197 
1 1 1 -16 12  23 o 108.175 4.2829  1427.78    112.418  1436.42    158.649  1419.06    159.319  108.027 6.0772  107.354 6.1417  0.6731491      8.640231 
1 1 1 -16 12  24 o 17.360  6.8680  20.678     42.887   89.118     56.522   -72.1925   65.842   26.677  8.0552  14.865  7.0110  11.81148       10.67899 
1 1 1 -16 12  25 o 58.787  4.7471  425.677    67.135   474.718    92.614   371.372    97.457   61.774  6.2656  54.217  7.6185  7.556938       9.864016 
1 1 1 -16 12  26 o 61.389  4.5873  463.986    67.837   399.519    93.251   536.454    98.868   56.383  6.9643  65.638  6.2846  -9.255943      9.380654 
1 1 1 -16 12  27 o 62.937  4.5799  488.067    69.461   479.961    96.191   496.899    100.410  61.932  6.4980  62.974  6.6730  -1.042389      9.314095 
1 1 1 -16 12  28 o 79.283  4.3676  772.938    83.696   824.662    117.586  719.825    119.156  81.430  5.9934  75.871  6.5364  5.558830       8.868194 
1 1 1 -16 12  29 o 61.970  4.7439  474.970    70.789   446.190    98.856   505.259    101.415  59.389  6.9942  63.345  6.6999  -3.955631      9.685454 
1 1 1 -16 12  30 o 48.454  6.6463  298.179    76.082   206.893    88.716   551.950    147.919  39.407  9.4083  64.863  9.6962  -25.45543      13.51044 
1 1 1 -16 12  31 o 69.082  5.9109  597.604    98.126   630.592    117.185  520.200    179.506  70.575  6.9326  61.269  12.498  9.306095       14.29212 
1 1 1 -16 12  32 f 51.145  5.4633  328.057    66.750   282.448    93.345   375.786    95.489   46.308  8.6249  54.058  7.4804  -7.750237      11.41687 
1 1 1 -16 12  33 o 14.020  6.5609  -51.5522   55.725   -25.6147   78.550   -77.8328   79.068   18.768  8.3972  16.378  7.7119  2.389694       11.40119 
1 1 1 -16 12  34 o 37.561  7.5238  184.868    66.180   259.704    99.076   124.575    88.930   43.880  9.5746  30.992  10.205  12.88811       13.99345 
1 1 1 -16 12  35 o 43.384  6.9797  243.227    70.981   182.637    96.733   313.907    104.478  36.530  10.409  48.438  9.2263  -11.90861      13.90938 
1 1 1 -16 12  36 o 86.551  6.9801  955.097    145.342  1040.36    291.038  926.768    167.759  83.850  14.848  84.421  8.2969  -0.5713348     17.00909 
1 1 1 -16 12  37 o 24.835  9.8205  55.493     87.646   259.220    226.284  19.535     95.067   42.420  16.044  23.080  9.7859  19.34024       18.79276 
1 1 1 -16 12  38 o 48.283  6.9565  302.545    79.146   296.600    108.657  309.264    115.516  46.327  9.9623  47.095  10.388  -0.7682877     14.39292 
1 1 1 -16 12  39 f 80.899  5.0383  820.485    98.409   662.326    136.392  992.231    142.130  70.877  8.0750  87.927  6.7126  -17.04997      10.50073 
1 1 1 -16 12  40 o 59.089  5.8338  445.621    82.550   534.670    112.493  341.716    121.515  63.862  7.3966  49.032  10.528  14.82988       12.86673 
1 1 1 -16 12  41 o 33.269  8.6721  153.461    70.719   108.925    100.123  197.800    99.902   29.150  10.742  36.959  10.594  -7.808966      15.08729 
1 1 1 -16 12  42 o 42.125  7.1615  236.572    70.579   253.428    98.822   219.021    100.836  42.079  9.8524  38.718  10.478  3.360863       14.38267 
1 1 1 -16 12  43 o 25.629  8.7036  87.018     64.619   -34.8936   93.918   196.609    89.046   19.533  8.9162  36.860  9.7907  -17.32659      13.24220 
1 1 1 -16 12  44 o 25.368  8.7302  85.049     65.049   78.181     89.008   92.924     95.300   25.840  9.9896  27.284  10.389  -1.443472      14.41290 
1 1 1 -16 12  45 o 59.871  8.3092  491.183    117.454  445.903    131.635  668.025    260.142  55.513  10.147  59.151  17.136  -3.637775      19.91453 
1 1 1 -16 12  46 o 19.553  8.6570  -5.7372    81.265   -52.4348   87.058   310.515    226.559  17.932  8.3279  41.341  15.950  -23.40908      17.99321 
1 1 1 -16 12  47 o 96.973  5.2195  1195.57    122.361  1111.09    166.141  1295.72    180.887  91.214  7.5753  98.469  7.6304  -7.255234      10.75214 
1 1 1 -16 12  48 o 41.832  9.7874  254.287    97.579   254.287    97.579   0.0000     0.0000   41.832  9.7874  ?       ?       0.000000       9.787366 
1 1 1 -16 12  49 o 29.258  13.923  -81.3326   270.936  -81.3326   270.936  0.0000     0.0000   29.258  13.923  ?       ?       0.000000       13.92335 
1 1 1 -16 12  50 f 44.693  12.129  323.137    134.890  337.356    312.159  319.872    149.576  40.012  17.358  43.434  13.101  -3.422237      21.74714 
1 1 1 -16 13  1  o 136.689 5.8285  2279.27    193.310  0.0000     0.0000   2279.27    193.310  ?       ?       136.689 5.8285  0.000000       5.828508 
1 1 1 -16 13  2  o 146.264 5.1861  2606.81    184.054  2752.19    219.908  2266.78    336.315  150.171 6.0352  135.144 10.335  15.02713       11.96771 
1 1 1 -16 13  3  o 62.420  6.9830  482.246    103.950  482.246    103.950  0.0000     0.0000   62.420  6.9830  ?       ?       0.000000       6.983050 
1 1 1 -16 13  4  o 153.950 6.0884  2892.79    227.428  2730.64    298.008  3118.96    351.941  148.971 8.2771  158.997 9.1613  -10.02698      12.34667 
1 1 1 -16 13  5  o 171.709 6.4186  3601.16    267.421  3460.40    353.619  3789.20    408.717  167.625 8.7244  175.141 9.6550  -7.515350      13.01285 
1 1 1 -16 13  6  o 132.588 5.8637  2144.84    188.644  2261.13    245.512  1977.22    294.754  135.695 7.4857  126.336 9.6892  9.358681       12.24403 
1 1 1 -16 13  7  o 84.400  3.8460  866.331    78.761   931.508    111.138  800.570    111.634  87.267  5.2734  80.814  5.7302  6.452866       7.787463 
1 1 1 -16 13  8  o 154.656 4.3934  2911.15    164.866  2900.57    231.334  2922.07    235.020  154.133 6.1856  154.691 6.2615  -0.5579987     8.801556 
1 1 1 -16 13  9  o 216.132 5.0751  5691.74    266.152  5671.52    374.230  5712.45    378.599  215.288 7.1640  216.048 7.2221  -0.7603912     10.17262 
1 1 1 -16 13  10 o 81.649  3.9519  810.937    78.292   760.536    108.690  865.292    112.871  78.752  5.7273  84.051  5.5660  -5.298569      7.986359 
1 1 1 -16 13  11 o 358.635 7.4830  15754.33   651.165  15320.00   919.552  16191.20   922.227  351.863 10.771  361.903 10.502  -10.04056      15.04334 
1 1 1 -16 13  12 o 164.291 4.5312  3286.38    180.629  3091.90    254.072  3485.13    256.848  159.040 6.5839  168.911 6.2669  -9.870560      9.089701 
1 1 1 -16 13  13 o 37.707  5.9454  177.734    52.594   144.112    71.466   217.459    77.680   33.615  8.6961  41.416  8.0198  -7.800808      11.82961 
1 1 1 -16 13  14 o 72.799  6.3155  652.416    110.451  829.457    201.143  575.987    132.160  81.253  10.444  68.019  8.1711  13.23376       13.26079 
1 1 1 -16 13  15 o 70.579  6.3339  613.703    107.316  444.200    192.162  690.530    129.370  58.353  13.790  74.738  7.2240  -16.38598      15.56791 
1 1 1 -16 13  16 o 127.727 6.1525  1993.96    190.676  1822.98    306.647  2101.75    243.469  120.833 10.565  130.639 7.7150  -9.805626      13.08224 
1 1 1 -16 13  17 o 19.765  8.6250  -14.5692   78.020   -162.8965  132.110  64.870     96.681   20.478  9.7384  27.336  10.451  -6.858311      14.28517 
1 1 1 -16 13  18 o 97.591  4.2349  1159.98    100.281  1074.57    136.743  1259.36    147.505  93.548  6.0568  101.308 6.0279  -7.759949      8.545207 
1 1 1 -16 13  19 o 189.581 4.9396  4385.30    227.224  3978.69    318.233  4808.21    324.546  179.977 7.2872  198.023 6.7545  -18.04568      9.936186 
1 1 1 -16 13  20 o 44.082  6.6106  243.472    68.528   253.988    73.679   176.050    186.564  44.967  6.9790  40.256  14.690  4.710850       16.26330 
1 1 1 -16 13  21 o 115.618 4.2867  1630.16    120.258  1542.68    164.514  1730.54    176.230  112.024 6.0752  118.650 6.1424  -6.626656      8.639242 
1 1 1 -16 13  22 o 77.928  4.4091  743.601    83.027   759.244    112.516  724.900    123.021  78.452  5.9553  76.478  6.6969  1.973343       8.961814 
1 1 1 -16 13  23 o 14.240  6.3661  -18.7049   45.044   27.879     55.178   -111.7620  77.987   19.762  7.7992  15.163  7.2837  4.599500       10.67140 
1 1 1 -16 13  24 o 143.518 4.4099  2518.30    153.567  2404.11    217.365  2632.10    216.990  139.626 6.4159  146.205 6.1167  -6.578369      8.864367 
1 1 1 -16 13  25 o 80.085  4.2555  786.588    82.395   806.482    113.704  764.591    119.566  80.714  5.8454  78.441  6.3361  2.272903       8.620592 
1 1 1 -16 13  26 o 71.481  4.4062  628.234    76.050   541.026    103.579  730.230    112.017  65.762  6.5796  76.649  6.0727  -10.88721      8.953673 
1 1 1 -16 13  27 o 54.617  4.8228  369.345    63.257   382.577    85.429   353.283    94.120   55.151  6.5093  52.635  7.5888  2.516113       9.998057 
1 1 1 -16 13  28 f 51.892  5.0895  334.916    63.257   304.844    85.266   371.727    94.337   48.804  7.4353  54.002  7.3938  -5.197960      10.48579 
1 1 1 -16 13  29 o 19.371  7.8191  23.542     56.728   86.495     66.539   -143.9584  108.537  26.521  8.8319  17.930  8.6077  8.590801       12.33268 
1 1 1 -16 13  30 o 48.414  6.9393  299.594    79.187   347.052    93.435   178.600    149.188  51.909  7.6474  37.268  13.194  14.64149       15.24971 
1 1 1 -16 13  31 o 40.697  7.3853  215.094    70.242   239.637    80.938   140.206    141.380  42.755  8.0983  34.289  12.740  8.466129       15.09612 
1 1 1 -16 13  32 o 35.571  7.6412  166.325    63.985   235.710    91.086   98.733     89.902   41.937  9.2040  28.726  10.234  13.21129       13.76414 
1 1 1 -16 13  33 o 38.024  7.3291  188.789    65.167   155.517    92.596   221.442    91.731   33.986  10.321  40.473  9.5032  -6.487411      14.02964 
1 1 1 -16 13  34 o 60.177  5.3840  453.855    77.783   510.408    110.527  398.364    109.485  63.006  7.3690  55.074  8.4639  7.931736       11.22230 
1 1 1 -16 13  35 o 23.626  9.5852  40.369     85.717   226.114    221.886  7.7870     92.932   41.006  15.795  22.233  9.5574  18.77359       18.46130 
1 1 1 -16 13  36 o 18.567  8.4690  -42.1058   84.552   -52.4362   200.475  -39.8707   93.252   28.583  13.039  19.723  8.9568  8.860409       15.81911 
1 1 1 -16 13  37 o 28.414  10.424  97.024     94.117   88.868     216.970  98.914     104.455  34.176  14.645  29.080  10.922  5.096699       18.26931 
1 1 1 -16 13  38 o 13.508  6.4252  -66.4057   57.560   -47.0896   78.772   -88.5356   84.314   17.478  8.0474  16.472  7.8176  1.006342       11.21941 
1 1 1 -16 13  39 o 45.949  6.8950  276.396    74.500   201.185    101.743  363.336    109.390  37.440  10.677  51.551  9.0768  -14.11156      14.01415 
1 1 1 -16 13  40 o 43.794  7.0243  253.299    72.118   306.392    100.620  197.214    103.417  47.036  9.1458  36.819  10.844  10.21656       14.18586 
1 1 1 -16 13  41 o 52.494  6.3108  358.118    78.770   379.521    108.194  333.977    114.905  52.515  8.8025  48.288  10.130  4.226608       13.42025 
1 1 1 -16 13  42 o 19.690  8.1957  22.918     64.802   92.041     93.232   -41.6899   90.135   27.219  10.297  18.815  8.6426  8.403843       13.44356 
1 1 1 -16 13  43 o 51.429  6.3390  346.380    77.428   358.818    106.795  332.598    112.419  50.561  9.0367  47.924  9.9914  2.637043       13.47183 
1 1 1 -16 13  44 o 34.159  8.4911  164.456    70.073   215.941    95.729   105.026    102.851  38.241  10.149  28.417  10.800  9.823332       14.82000 
1 1 1 -16 13  45 o 38.822  10.552  225.503    101.999  200.558    112.553  340.125    241.263  36.171  11.446  42.361  16.427  -6.189594      20.02114 
1 1 1 -16 13  46 f 54.117  8.5471  405.094    108.506  345.815    119.405  686.076    259.964  48.471  10.460  60.177  17.035  -11.70640      19.98968 
1 1 1 -16 13  47 o 42.800  10.327  270.870    106.013  270.870    106.013  0.0000     0.0000   42.800  10.327  ?       ?       0.000000       10.32692 
1 1 1 -16 13  48 o 20.660  8.8936  15.479     80.687   15.479     80.687   0.0000     0.0000   20.660  8.8936  ?       ?       0.000000       8.893632 
1 1 1 -16 13  49 o 48.385  11.285  362.654    130.053  530.510    306.720  325.861    143.601  47.179  18.459  44.348  12.698  2.830723       22.40458 
1 1 1 -16 14  1  o 266.489 12.696  8847.56    820.961  0.0000     0.0000   8847.56    820.961  ?       ?       266.489 12.696  0.000000       12.69637 
1 1 1 -16 14  2  o 167.327 6.6470  3421.84    269.869  3729.40    361.103  3032.74    406.163  174.270 8.5398  156.247 10.779  18.02284       13.75211 
1 1 1 -16 14  3  o 166.617 6.4198  3391.25    259.538  3422.25    342.539  3349.46    397.691  166.740 8.4947  164.493 10.012  2.246780       13.12983 
1 1 1 -16 14  4  o 9.2407  4.5942  -100.2777  40.154   -97.2703   44.728   -112.7691  91.156   10.225  5.0410  17.077  8.1118  -6.851678      9.550543 
1 1 1 -16 14  5  o 56.905  6.0409  399.633    82.133   503.211    99.307   175.392    146.118  63.853  6.5003  38.692  13.088  25.16122       14.61354 
1 1 1 -16 14  6  o 148.482 4.3032  2683.12    155.034  2675.03    217.270  2691.51    221.286  148.031 6.0490  148.473 6.1425  -0.4410400     8.620928 
1 1 1 -16 14  7  o 94.704  3.7926  1090.77    87.151   1110.08    122.442  1070.95    124.075  95.279  5.3175  93.555  5.4898  1.724144       7.642875 
1 1 1 -16 14  8  o 116.177 4.0081  1642.01    112.985  1614.53    158.452  1670.43    161.153  115.041 5.6765  117.016 5.6758  -1.974678      8.027295 
1 1 1 -16 14  9  o 128.732 4.1142  2016.45    128.511  1987.15    179.046  2047.58    184.565  127.611 5.7825  129.525 5.8726  -1.914040      8.241637 
1 1 1 -16 14  10 o 265.341 5.9303  8594.72    381.806  8464.64    539.208  8725.53    540.706  262.486 8.4662  266.541 8.3605  -4.055725      11.89848 
1 1 1 -16 14  11 o 150.929 4.3845  2773.16    160.567  2623.68    225.826  2925.99    228.347  146.528 6.3517  154.786 6.0799  -8.258026      8.792577 
1 1 1 -16 14  12 o 37.212  6.0298  173.362    52.581   179.754    69.157   164.605    80.951   37.599  7.8347  35.883  9.2414  1.715210       12.11550 
1 1 1 -16 14  13 f 80.413  6.1692  794.646    119.453  834.916    201.918  772.964    148.160  81.500  10.451  78.991  7.8335  2.509064       13.06122 
1 1 1 -16 14  14 o 25.701  9.1332  70.578     71.556   -238.0323  155.118  154.003    80.650   20.984  10.127  34.746  9.3573  -13.76224      13.78824 
1 1 1 -16 14  15 o 118.397 6.0806  1717.77    174.093  1738.59    282.567  1705.03    221.026  118.140 9.9500  117.581 7.7913  0.5588760      12.63754 
1 1 1 -16 14  16 o 130.598 6.1599  2085.88    195.196  2082.17    318.491  2088.11    247.027  129.197 10.244  130.114 7.8614  -0.9164734     12.91256 
1 1 1 -16 14  17 o 95.406  4.1282  1108.53    95.565   1155.04    135.479  1062.46    134.822  97.041  5.7800  93.015  6.0058  4.025246       8.335290 
1 1 1 -16 14  18 o 85.100  4.1475  882.238    85.640   940.998    121.724  824.642    120.512  87.535  5.7633  81.856  6.1117  5.679123       8.400465 
1 1 1 -16 14  19 o 56.408  4.9882  391.519    67.569   288.124    88.862   533.242    104.036  47.731  7.9525  65.598  6.6271  -17.86713      10.35183 
1 1 1 -16 14  20 o 151.032 4.5207  2783.77    165.668  2705.63    230.503  2867.26    238.269  148.460 6.3989  152.823 6.4256  -4.362671      9.068282 
1 1 1 -16 14  21 o 142.389 4.4535  2475.50    153.866  2351.15    213.779  2609.16    221.632  138.305 6.3703  145.727 6.2680  -7.421402      8.936950 
1 1 1 -16 14  22 o 138.908 4.4005  2357.35    148.317  2204.32    205.339  2524.28    214.463  133.828 6.3236  143.261 6.1697  -9.432831      8.834700 
1 1 1 -16 14  23 o 95.023  4.2594  1103.54    98.207   1014.08    132.579  1212.31    146.187  90.555  6.0690  99.033  6.1136  -8.477287      8.614440 
1 1 1 -16 14  24 o 72.974  4.4949  654.402    79.202   539.706    106.180  798.264    118.916  65.693  6.7577  80.202  6.1577  -14.50904      9.142385 
1 1 1 -16 14  25 o 111.252 4.2224  1515.21    113.982  1402.62    160.844  1628.79    161.548  106.294 6.2641  114.743 5.8215  -8.449852      8.551509 
1 1 1 -16 14  26 o 142.283 4.4334  2483.39    153.059  2390.67    216.170  2576.60    216.747  138.767 6.4202  144.175 6.1958  -5.408203      8.922260 
1 1 1 -16 14  27 o 79.001  4.2889  768.025    81.906   706.755    113.387  834.881    118.443  75.167  6.2742  81.835  6.0069  -6.668770      8.686118 
1 1 1 -16 14  28 o 29.615  8.5709  114.455    65.110   175.806    75.585   -62.0057   128.189  36.459  8.6707  22.899  10.439  13.56021       13.56999 
1 1 1 -16 14  29 o 25.654  8.3140  82.370     59.119   93.403     67.016   43.656     125.534  27.230  8.8537  27.519  11.427  -0.2895546     14.45554 
1 1 1 -16 14  30 o 49.452  6.5817  311.527    77.013   305.431    90.927   327.001    144.864  48.423  8.0196  48.235  12.330  0.1881142      14.70889 
1 1 1 -16 14  31 o 63.261  5.0953  498.883    77.547   492.395    111.757  504.909    107.692  61.853  7.6067  62.830  7.1938  -0.9765244     10.46959 
1 1 1 -16 14  32 o 63.308  5.1980  500.563    79.142   441.838    113.874  555.428    110.069  58.179  8.3022  65.979  6.9814  -7.799988      10.84742 
1 1 1 -16 14  33 o 99.845  4.5812  1232.04    110.986  1094.88    156.154  1372.07    157.775  92.773  6.9882  104.373 6.2589  -11.59966      9.381267 
1 1 1 -16 14  34 o 69.648  6.3184  614.904    105.615  622.953    231.788  612.795    118.648  64.129  15.139  69.102  7.1811  -4.973381      16.75584 
1 1 1 -16 14  35 o 71.602  7.2760  660.391    124.654  501.829    247.460  714.306    144.299  55.569  16.872  73.943  8.1797  -18.37463      18.74981 
1 1 1 -16 14  36 o 29.801  10.416  114.131    92.777   269.869    192.473  66.993     105.891  42.356  14.987  26.895  10.744  15.46125       18.43989 
1 1 1 -16 14  37 o 43.795  6.9711  250.857    71.596   238.368    96.297   266.294    107.060  41.366  9.7531  43.480  10.305  -2.114616      14.18872 
1 1 1 -16 14  38 o 25.523  8.7624  82.968     65.510   174.460    88.768   -26.4607   97.080   35.164  9.9543  20.536  9.2499  14.62837       13.58857 
1 1 1 -16 14  39 o 44.174  7.2683  259.052    75.194   319.437    101.913  186.903    111.400  48.098  9.0650  35.765  11.394  12.33332       14.56031 
1 1 1 -16 14  40 o 54.614  6.0229  385.137    78.486   364.751    107.701  408.225    114.613  51.346  8.9713  54.353  9.0058  -3.007420      12.71175 
1 1 1 -16 14  41 o 26.781  9.0062  96.780     69.183   89.443     95.588   104.851    100.257  27.118  10.386  28.490  10.700  -1.372061      14.91200 
1 1 1 -16 14  42 o 84.029  5.0500  896.170    102.486  733.725    139.875  1084.46    150.591  73.655  7.9529  90.790  6.8872  -17.13554      10.52056 
1 1 1 -16 14  43 o 39.720  7.3377  214.084    68.113   106.821    94.374   330.704    98.405   28.238  10.425  48.680  8.6480  -20.44130      13.54529 
1 1 1 -16 14  44 o 32.625  10.352  156.968    92.023   198.197    99.642   -82.1311   239.957  36.305  10.631  28.047  13.275  8.257664       17.00726 
1 1 1 -16 14  45 o 22.299  9.4751  28.045     89.445   74.372     96.980   -235.8212  231.451  25.902  10.302  24.583  11.982  1.318825       15.80226 
1 1 1 -16 14  46 o 37.635  10.573  212.507    100.548  212.507    100.548  0.0000     0.0000   37.635  10.573  ?       ?       0.000000       10.57343 
1 1 1 -16 14  47 o 24.558  9.6361  67.622     83.778   67.622     83.778   0.0000     0.0000   24.558  9.6361  ?       ?       0.000000       9.636106 
1 1 1 -16 14  48 f 24.938  10.587  49.374     111.481  422.546    226.601  -69.7893   128.050  45.882  16.258  21.114  9.9012  24.76867       19.03606 
1 1 1 -16 15  1  o 260.809 8.6151  8357.73    545.186  8904.35    745.526  7729.43    799.299  267.901 11.469  248.327 13.314  19.57382       17.57262 
1 1 1 -16 15  2  o 284.672 8.8984  9965.77    614.640  9687.80    840.051  10286.03   901.682  278.904 12.413  287.061 12.945  -8.157257      17.93523 
1 1 1 -16 15  3  o 216.346 7.1889  5729.17    377.378  5077.28    506.087  6545.62    566.373  202.463 10.336  230.242 10.138  -27.77962      14.47823 
1 1 1 -16 15  4  o 130.618 3.9163  2075.38    124.122  1970.23    173.343  2186.02    177.813  127.088 5.6213  133.886 5.4735  -6.797523      7.845921 
1 1 1 -16 15  5  o 172.132 4.6207  3608.06    192.988  3663.48    270.490  3550.61    275.430  173.147 6.4383  170.416 6.6610  2.731186       9.263940 
1 1 1 -16 15  6  o 164.783 4.5437  3306.22    181.673  3481.84    255.109  3125.51    258.778  168.835 6.2273  159.883 6.6706  8.952103       9.125538 
1 1 1 -16 15  7  o 40.622  5.2131  204.421    50.198   196.438    64.789   216.410    79.400   39.491  7.0185  41.282  8.2157  -1.790699      10.80546 
1 1 1 -16 15  8  o 79.080  4.4701  763.828    85.421   675.040    132.646  826.739    111.655  73.851  7.5068  82.126  5.6373  -8.274780      9.387794 
1 1 1 -16 15  9  o 93.145  4.0641  1055.73    91.851   1062.56    130.345  1048.99    129.453  93.125  5.7973  92.526  5.7954  0.5987778      8.197255 
1 1 1 -16 15  10 o 25.870  7.2045  84.346     46.896   60.333     62.594   115.071    70.805   23.923  8.5378  30.344  8.9827  -6.421038      12.39286 
1 1 1 -16 15  11 o 151.387 5.3462  2795.48    196.379  3085.34    369.570  2681.43    231.815  157.791 9.6997  148.085 6.4516  9.705902       11.64934 
1 1 1 -16 15  12 o 133.932 6.1711  2192.33    200.543  2352.87    325.642  2094.24    254.538  137.649 9.8143  130.317 8.0898  7.331955       12.71870 
1 1 1 -16 15  13 o 62.753  6.9270  488.041    103.715  631.495    200.801  435.846    121.123  70.168  12.239  58.877  8.7440  11.29061       15.04185 
1 1 1 -16 15  14 o 81.354  6.2128  814.045    121.713  822.033    216.048  810.331    147.315  80.504  11.377  80.897  7.5939  -0.3928299     13.67887 
1 1 1 -16 15  15 o 143.717 6.3171  2527.78    220.286  2616.51    349.769  2469.44    283.598  144.949 10.006  141.370 8.3041  3.578873       13.00319 
1 1 1 -16 15  16 f 31.269  6.9653  124.602    51.492   63.437     72.443   187.059    73.203   25.052  9.1519  38.269  8.1341  -13.21735      12.24421 
1 1 1 -16 15  17 o 142.917 4.4001  2489.98    152.585  2409.19    216.028  2570.42    215.549  140.215 6.3497  144.879 6.1316  -4.664398      8.826975 
1 1 1 -16 15  18 f 36.470  6.2351  167.504    53.193   131.421    74.468   205.095    76.007   32.131  9.1249  40.070  8.0961  -7.939491      12.19882 
1 1 1 -16 15  19 o 78.545  4.2348  754.636    80.410   747.054    112.861  762.452    114.594  77.824  6.0237  78.620  6.0537  -0.7962799     8.540029 
1 1 1 -16 15  20 o 43.701  5.6967  238.021    58.970   142.363    78.598   361.212    89.195   33.295  9.3463  53.694  7.0138  -20.39955      11.68535 
1 1 1 -16 15  21 o 42.170  5.8845  222.567    58.570   241.835    75.866   194.138    92.150   43.629  7.4330  38.587  9.8182  5.041393       12.31448 
1 1 1 -16 15  22 o 57.968  4.7901  414.302    66.772   380.216    88.009   460.534    102.497  55.080  6.7249  60.589  7.1069  -5.509300      9.784286 
1 1 1 -16 15  23 o 72.061  4.4251  638.065    76.999   581.593    102.782  710.295    116.241  68.344  6.2679  75.543  6.4018  -7.199318      8.959315 
1 1 1 -16 15  24 o 111.448 4.2773  1521.18    115.667  1501.40    159.525  1543.11    167.957  110.069 5.9957  111.498 6.2332  -1.428947      8.648750 
1 1 1 -16 15  25 o 119.867 4.3514  1762.14    126.559  1618.30    177.357  1911.38    180.652  113.973 6.4397  124.241 5.9926  -10.26727      8.796632 
1 1 1 -16 15  26 o 9.3261  4.6241  -93.0504   39.618   -88.0502   49.967   -101.5158  65.015   11.451  5.5782  13.469  6.5143  -2.018691      8.576278 
1 1 1 -16 15  27 o 36.881  7.7274  177.629    66.938   233.141    77.384   12.639     133.409  42.357  7.8173  26.635  11.451  15.72257       13.86452 
1 1 1 -16 15  28 o 11.698  5.5927  -59.2602   44.790   -45.1054   50.635   -110.1756  96.033   13.498  6.2961  17.441  8.2966  -3.942274      10.41514 
1 1 1 -16 15  29 o 45.099  7.1421  262.199    75.552   246.335    90.059   299.889    138.816  43.033  8.9181  46.208  12.201  -3.175529      15.11267 
1 1 1 -16 15  30 o 26.012  7.8819  87.456     54.047   82.889     77.520   91.776     75.393   26.591  9.5002  27.327  9.3990  -0.7355671     13.36393 
1 1 1 -16 15  31 f 40.334  6.9072  210.558    65.168   153.079    91.178   270.583    93.176   33.704  10.243  45.071  8.8359  -11.36700      13.52743 
1 1 1 -16 15  32 o 16.369  7.2283  -12.5396   56.294   6.2642     83.077   -28.5042   76.548   21.102  9.0529  18.286  8.2272  2.816032       12.23285 
1 1 1 -16 15  33 o 35.320  7.5462  164.848    62.708   165.045    90.314   164.665    87.137   34.741  10.106  34.725  9.8737  0.1618958E-01  14.12867 
1 1 1 -16 15  34 o 25.128  9.6301  64.843     82.210   -168.3448  181.248  125.244    92.245   23.914  11.382  30.882  10.399  -6.967684      15.41783 
1 1 1 -16 15  35 f 26.208  9.9835  74.282     88.018   112.585    171.141  60.507     102.632  33.125  13.504  26.223  10.541  6.901764       17.13084 
1 1 1 -16 15  36 o 41.553  7.2218  227.496    70.171   226.914    99.929   228.062    98.558   40.113  10.234  40.275  10.103  -0.1622009     14.38046 
1 1 1 -16 15  37 o 24.782  8.7667  75.730     65.857   154.850    90.967   -11.4132   95.467   33.199  10.257  21.102  9.3609  12.09701       13.88652 
1 1 1 -16 15  38 o 47.626  6.7178  296.886    75.475   348.659    103.969  239.206    109.741  50.450  8.8143  40.428  10.927  10.02160       14.03882 
1 1 1 -16 15  39 o 18.847  7.9626  14.346     62.581   23.011     86.971   5.0438     90.118   21.998  9.3451  21.236  9.2680  0.7621269      13.16156 
1 1 1 -16 15  40 o 15.509  7.0912  -29.9396   59.719   -137.9929  83.513   83.138     85.432   14.560  7.1186  26.120  9.8631  -11.55979      12.16370 
1 1 1 -16 15  41 o 71.890  5.4678  662.029    94.662   681.836    129.986  639.662    138.130  71.231  7.6400  68.181  8.5365  3.049858       11.45613 
1 1 1 -16 15  42 f 19.249  7.9612  24.472     60.587   -8.8430    87.404   55.287     84.060   19.975  8.9032  23.687  9.5332  -3.711939      13.04410 
1 1 1 -16 15  43 o 16.444  7.7387  -64.7996   79.412   -57.1740   84.488   -122.6091  232.625  17.375  8.1138  26.727  12.769  -9.352707      15.12902 
1 1 1 -16 15  44 o 24.141  9.7144  58.618     87.269   26.195     93.888   264.581    236.632  22.526  9.6427  38.767  15.850  -16.24123      18.55274 
1 1 1 -16 15  45 o 58.575  6.1909  448.104    86.656   326.483    113.483  618.205    134.209  47.119  10.220  66.984  8.4452  -19.86488      13.25789 
1 1 1 -16 15  46 o 20.197  8.7595  10.190     79.454   10.190     79.454   0.0000     0.0000   20.197  8.7595  ?       ?       0.000000       8.759461 
1 1 1 -16 15  47 o 24.086  11.645  -169.8401  207.324  -169.8401  207.324  0.0000     0.0000   24.086  11.645  ?       ?       0.000000       11.64481 
1 1 1 -16 15  48 o 26.925  10.938  87.175     111.776  212.654    218.277  42.575     130.133  35.181  14.868  25.448  11.121  9.733028       18.56660 
1 1 1 -16 16  1  o 200.414 7.2082  4918.02    350.523  5271.88    469.504  4472.41    526.869  206.851 9.3544  189.451 11.516  17.39937       14.83666 
1 1 1 -16 16  2  o 105.184 3.9027  1345.90    99.604   1350.87    139.011  1340.67    142.788  105.100 5.4700  104.675 5.6428  0.4253769      7.858832 
1 1 1 -16 16  3  o 26.312  6.1992  87.954     38.928   121.993    55.268   54.441     54.839   30.945  7.4501  22.590  7.9989  8.354973       10.93097 
1 1 1 -16 16  4  o 33.005  5.3919  136.257    41.689   201.462    59.811   74.644     58.140   40.123  6.3553  25.160  8.2498  14.96293       10.41393 
1 1 1 -16 16  5  o 122.973 4.0302  1840.07    120.253  1848.69    168.395  1831.09    171.783  123.088 5.6384  122.482 5.7802  0.6053085      8.074765 
1 1 1 -16 16  6  o 119.949 3.9971  1750.64    116.333  1654.13    161.862  1853.76    167.313  116.416 5.7302  123.258 5.5944  -6.842033      8.008241 
1 1 1 -16 16  7  o 49.880  4.8538  306.002    58.001   288.526    78.916   326.532    85.536   48.065  6.9699  51.171  7.0787  -3.105728      9.934157 
1 1 1 -16 16  8  o 106.468 4.0123  1379.41    103.651  1325.74    144.585  1436.15    148.671  104.055 5.7489  108.327 5.6760  -4.271111      8.078737 
1 1 1 -16 16  9  o 91.545  4.0306  1019.89    89.528   1065.80    126.640  974.018    126.585  93.279  5.6215  89.115  5.8874  4.164215       8.140210 
1 1 1 -16 16  10 o 163.349 6.5200  3264.23    258.422  3355.47    401.914  3199.93    337.417  164.365 10.127  160.998 8.6693  3.366882       13.33088 
1 1 1 -16 16  11 o 90.288  6.1378  1001.01    133.665  1079.03    237.313  964.762    161.765  92.654  10.756  88.342  7.6213  4.312607       13.18235 
1 1 1 -16 16  12 o 155.614 6.2847  2962.12    237.298  4068.32    376.835  2235.23    305.471  181.739 8.5455  134.177 9.4429  47.56236       12.73557 
1 1 1 -16 16  13 o 13.501  6.5589  -116.8891  67.791   -146.7445  149.965  -109.2214  76.000   22.872  10.722  15.020  7.2084  7.852316       12.92021 
1 1 1 -16 16  14 o 42.306  5.9389  223.061    59.284   207.909    80.851   240.680    87.188   40.327  8.5292  43.449  8.5746  -3.121853      12.09424 
1 1 1 -16 16  15 o 136.585 4.3523  2273.72    144.242  2199.85    203.333  2348.54    204.651  134.022 6.2527  138.511 6.0893  -4.488785      8.727852 
1 1 1 -16 16  16 o 21.045  7.3012  49.091     45.542   -58.3247   60.782   186.583    68.767   14.718  6.8760  38.267  7.6732  -23.54963      10.30325 
1 1 1 -16 16  17 o 79.989  4.2645  782.414    82.470   765.580    115.545  799.894    117.745  78.797  6.0906  80.559  6.0683  -1.761330      8.597668 
1 1 1 -16 16  18 o 124.070 4.2418  1878.04    127.697  2005.63    180.510  1750.23    180.672  127.901 5.8165  119.221 6.2676  8.679550       8.550692 
1 1 1 -16 16  19 o 81.622  4.1962  815.291    82.823   831.186    116.250  798.905    118.030  82.079  5.8759  80.411  6.0947  1.668716       8.465942 
1 1 1 -16 16  20 o 161.704 4.6746  3199.07    183.413  3060.26    258.647  3339.48    260.129  157.436 6.7708  164.567 6.5145  -7.131699      9.395887 
1 1 1 -16 16  21 o 113.150 4.2560  1565.38    116.848  1549.36    161.354  1583.05    169.437  112.003 5.9587  113.137 6.1957  -1.133804      8.596114 
1 1 1 -16 16  22 o 24.929  7.2160  78.988     46.148   90.462     59.719   61.981     72.708   26.850  8.3133  24.690  9.1436  2.160156       12.35789 
1 1 1 -16 16  23 o 27.473  7.0919  97.507     47.598   135.777    62.047   42.780     74.198   32.292  7.9678  23.099  9.0669  9.192833       12.07042 
1 1 1 -16 16  24 o 27.666  7.1522  99.190     48.364   135.057    59.976   32.501     81.781   32.179  7.7695  23.027  9.3552  9.151899       12.16076 
1 1 1 -16 16  25 o 49.006  5.2670  299.787    61.646   282.639    80.160   324.609    96.442   46.979  7.2666  50.075  8.2230  -3.095387      10.97368 
1 1 1 -16 16  26 o 16.782  7.1873  0.5179     52.202   -33.7580   58.733   129.418    113.898  15.512  7.0691  32.545  11.527  -17.03244      13.52228 
1 1 1 -16 16  27 o 73.781  5.8435  681.400    103.757  658.424    124.889  732.591    186.418  71.927  7.2550  74.007  10.691  -2.079964      12.92043 
1 1 1 -16 16  28 o 34.525  8.3492  158.410    69.176   190.863    80.394   65.848     135.772  37.772  8.9152  29.373  12.007  8.399187       14.95508 
1 1 1 -16 16  29 o 21.952  7.9192  53.474     53.997   114.181    79.267   0.9144     73.756   29.688  9.6276  19.700  8.4918  9.988361       12.83751 
1 1 1 -16 16  30 o 58.584  5.2535  429.658    73.884   443.084    100.754  414.040    108.669  58.718  7.2241  56.294  8.1963  2.423904       10.92549 
1 1 1 -16 16  31 o 31.413  8.1530  131.593    62.683   59.248     87.188   208.995    90.183   25.173  9.8436  39.174  9.5698  -14.00068      13.72865 
1 1 1 -16 16  32 o 55.847  5.5557  393.057    74.284   457.360    103.993  326.059    106.149  59.491  7.3613  49.237  9.2239  10.25405       11.80128 
1 1 1 -16 16  33 o 35.399  10.034  172.876    90.136   342.059    191.277  124.584    102.193  47.179  14.920  31.106  10.929  16.07334       18.49439 
1 1 1 -16 16  34 o 38.871  9.9017  210.131    93.650   349.267    197.975  170.022    106.295  47.131  15.208  34.924  11.131  12.20709       18.84610 
1 1 1 -16 16  35 o 53.086  5.9075  359.810    74.803   398.957    103.829  317.563    107.862  54.838  8.0422  47.967  9.6026  6.871227       12.52542 
1 1 1 -16 16  36 o 27.748  8.5086  103.749    62.730   113.060    86.301   93.320     91.339   29.187  10.055  27.663  10.248  1.523825       14.35684 
1 1 1 -16 16  37 o 45.653  6.8855  274.240    73.902   311.816    104.694  236.923    104.334  47.228  9.4657  40.430  10.531  6.798531       14.15973 
1 1 1 -16 16  38 o 32.664  8.6827  149.177    69.998   204.715    97.376   89.791     100.692  37.463  10.363  27.524  10.629  9.938974       14.84505 
1 1 1 -16 16  39 o 23.336  8.6864  64.215     65.783   42.457     88.564   90.992     98.250   23.272  9.6252  27.326  10.515  -4.054098      14.25484 
1 1 1 -16 16  40 o 20.729  8.2992  38.571     63.343   44.418     85.885   31.597     93.799   23.086  9.5064  22.888  9.7134  0.1974297      13.59129 
1 1 1 -16 16  41 o 33.072  8.3500  154.378    67.016   150.098    92.155   159.181    97.632   31.912  10.383  32.685  10.689  -0.7730370     14.90175 
1 1 1 -16 16  42 o 16.956  7.9467  -60.4506   82.273   -76.7926   86.910   80.533     255.272  16.869  7.9859  32.509  14.785  -15.63993      16.80372 
1 1 1 -16 16  43 o 42.743  10.281  271.804    105.321  213.354    113.621  628.552    280.704  37.034  11.467  54.309  18.142  -17.27433      21.46200 
1 1 1 -16 16  44 o 46.204  7.4404  289.468    80.583   275.447    102.529  312.125    130.332  43.312  9.9634  44.583  11.846  -1.270138      15.47916 
1 1 1 -16 16  45 o 40.659  10.609  250.087    105.775  250.087    105.775  0.0000     0.0000   40.659  10.609  ?       ?       0.000000       10.60948 
1 1 1 -16 16  46 o 44.871  15.131  378.038    195.285  287.571    266.585  482.805    286.880  38.747  16.406  46.030  17.895  -7.282616      24.27731 
1 1 1 -16 16  47 o 15.039  7.4361  -186.2922  99.857   -328.4767  208.840  -144.1494  113.697  21.199  10.529  17.480  8.4923  3.718765       13.52678 
1 1 1 -16 17  1  o 179.695 4.6286  3933.05    201.812  3991.08    283.321  3873.29    287.537  180.676 6.4627  177.947 6.6594  2.728409       9.279803 
1 1 1 -16 17  2  f 72.860  3.8806  647.667    68.357   643.490    95.307   652.091    98.097   72.425  5.4636  72.892  5.5890  -0.4665146     7.815875 
1 1 1 -16 17  3  o 52.323  4.2526  335.450    53.523   270.829    75.663   400.173    75.723   46.548  6.9088  57.004  5.5449  -10.45547      8.858754 
1 1 1 -16 17  4  o 249.188 5.8110  7581.43    351.352  7792.20    494.300  7366.20    499.515  251.881 8.0878  244.778 8.4103  7.103546       11.66817 
1 1 1 -16 17  5  o 115.256 4.0390  1616.64    112.954  1607.89    157.651  1625.87    161.916  114.772 5.6610  115.251 5.8087  -0.4783936     8.111033 
1 1 1 -16 17  6  f 128.947 4.1546  2023.98    129.990  1855.16    181.501  2201.76    186.257  123.220 6.0706  134.292 5.7161  -11.07212      8.338221 
1 1 1 -16 17  7  o 108.953 4.0365  1444.78    106.711  1476.89    148.711  1410.70    153.213  109.856 5.5976  107.306 5.9072  2.549622       8.138035 
1 1 1 -16 17  8  o 182.537 5.6631  4068.35    250.825  4411.46    452.668  3916.33    301.310  188.589 9.9273  178.807 6.9449  9.782364       12.11539 
1 1 1 -16 17  9  o 86.883  5.8785  926.430    123.197  795.031    200.797  1005.75    156.012  79.362  10.700  90.297  7.1800  -10.93555      12.88603 
1 1 1 -16 17  10 o 150.012 6.2878  2752.97    228.870  2905.58    357.503  2646.99    297.924  152.961 9.6824  146.385 8.4233  6.576157       12.83354 
1 1 1 -16 17  11 o 89.924  6.1560  993.679    133.511  920.939    237.637  1027.23    161.391  85.096  11.829  91.192  7.3564  -6.095840      13.92984 
1 1 1 -16 17  12 o 68.212  6.6578  575.453    108.789  633.812    208.637  553.662    127.492  70.013  12.751  66.601  8.0528  3.411285       15.08124 
1 1 1 -16 17  13 o 118.456 4.2377  1709.69    121.799  1685.08    170.976  1735.03    173.554  117.191 6.0333  118.919 6.0345  -1.728355      8.533214 
1 1 1 -16 17  14 o 82.474  4.2672  831.234    85.102   805.034    119.449  858.243    121.276  80.846  6.1349  83.512  6.0255  -2.665276      8.599052 
1 1 1 -16 17  15 o 138.752 4.4213  2348.17    148.851  2301.07    210.135  2395.60    210.882  136.973 6.3226  139.784 6.2175  -2.810074      8.867557 
1 1 1 -16 17  16 o 53.960  4.9852  358.823    64.533   320.145    90.558   398.729    91.986   50.394  7.6461  56.542  6.8442  -6.147484      10.26186 
1 1 1 -16 17  17 o 88.596  4.1306  957.596    88.796   851.787    124.764  1066.21    126.406  83.037  6.2379  93.100  5.6220  -10.06264      8.397528 
1 1 1 -16 17  18 o 55.570  4.6340  380.111    61.912   399.884    86.095   358.936    89.096   56.654  6.3737  53.480  7.0368  3.174282       9.494221 
1 1 1 -16 17  19 o 63.894  4.5289  501.811    69.758   522.725    97.222   479.621    100.148  64.845  6.2568  61.959  6.7718  2.886101       9.219806 
1 1 1 -16 17  20 o 149.823 4.5312  2748.26    164.722  2785.69    232.673  2710.65    233.231  150.167 6.3857  148.087 6.4909  2.080383       9.105418 
1 1 1 -16 17  21 o 81.737  4.3494  820.386    85.950   708.054    117.360  950.331    126.226  75.353  6.4819  87.539  5.9784  -12.18665      8.817979 
1 1 1 -16 17  22 o 29.135  7.0428  109.881    49.237   91.980     64.436   134.998    76.329   27.150  8.6675  32.193  9.2693  -5.042604      12.69035 
1 1 1 -16 17  23 o 44.103  5.4711  243.704    57.289   186.783    75.989   318.664    87.202   37.725  8.5047  49.936  7.4227  -12.21116      11.28835 
1 1 1 -16 17  24 o 45.690  5.4549  261.676    59.279   278.962    77.441   237.213    92.124   46.719  7.0508  42.303  9.2342  4.416401       11.61828 
1 1 1 -16 17  25 o 19.189  7.9095  17.572     59.527   -2.8211    63.117   181.682    179.050  18.130  7.8351  38.417  14.325  -20.28699      16.32743 
1 1 1 -16 17  26 o 14.187  6.6170  -49.1292   55.917   -88.4948   59.171   279.607    170.991  12.976  6.2603  44.319  14.116  -31.34363      15.44213 
1 1 1 -16 17  27 o 53.634  6.4517  365.538    82.276   402.256    96.793   269.923    156.197  55.957  7.3031  43.502  13.441  12.45417       15.29670 
1 1 1 -16 17  28 o 42.823  6.0680  233.633    61.286   189.992    87.117   276.393    86.233   37.424  9.5594  45.899  8.0357  -8.475399      12.48814 
1 1 1 -16 17  29 o 18.225  7.5489  15.046     54.591   -24.2662   73.472   63.500     81.568   18.112  8.1112  25.092  9.5981  -6.979862      12.56648 
1 1 1 -16 17  30 o 41.364  6.8429  221.554    66.279   138.439    92.312   309.986    95.220   32.218  10.384  48.410  8.4117  -16.19103      13.36331 
1 1 1 -16 17  31 o 42.782  6.5357  235.870    65.693   343.439    90.090   113.732    95.998   51.391  7.4413  30.042  10.589  21.34953       12.94220 
1 1 1 -16 17  32 o 90.084  6.8362  1037.12    148.313  915.290    261.827  1094.68    179.971  78.399  14.290  91.579  8.1855  -13.18010      16.46866 
1 1 1 -16 17  33 o 15.550  7.3526  -74.6199   73.244   -76.0323   169.964  -74.2978   81.168   25.418  11.745  16.643  7.8299  8.774855       14.11567 
1 1 1 -16 17  34 o 19.017  7.8791  19.017     59.495   41.377     89.499   1.3118     79.640   23.739  9.7315  20.159  8.7563  3.579823       13.09105 
1 1 1 -16 17  35 o 80.279  4.9444  809.494    95.844   830.198    133.745  787.638    137.416  79.992  6.9601  77.587  7.3886  2.405045       10.15063 
1 1 1 -16 17  36 f 51.604  6.0159  343.335    73.912   259.271    102.977  432.660    106.150  42.544  10.122  56.869  7.9066  -14.32579      12.84440 
1 1 1 -16 17  37 o 41.805  7.3857  234.672    72.177   238.047    102.206  231.314    101.943  40.379  10.376  39.760  10.435  0.6194229      14.71570 
1 1 1 -16 17  38 o 26.114  8.8000  91.550     66.052   106.453    88.917   73.199     98.665   28.186  10.163  26.043  10.381  2.143230       14.52782 
1 1 1 -16 17  39 o 21.315  8.3867  45.172     63.625   86.292     85.946   -4.6867    94.638   26.234  9.8959  20.922  9.2988  5.311420       13.57925 
1 1 1 -16 17  40 o 23.024  8.5905  63.549     64.415   49.391     87.174   80.577     95.600   23.428  9.6043  26.156  10.284  -2.727945      14.07124 
1 1 1 -16 17  41 o 27.200  8.9238  103.296    68.024   96.380     92.241   111.540    100.716  27.168  10.251  28.625  10.730  -1.456501      14.83953 
1 1 1 -16 17  42 o 40.151  10.851  246.475    108.224  277.181    115.889  37.112     302.609  42.419  11.123  32.627  15.275  9.791862       18.89566 
1 1 1 -16 17  43 o 73.704  7.6023  733.454    134.006  597.728    153.339  1172.19    275.690  64.009  10.216  84.390  13.951  -20.38078      17.29195 
1 1 1 -16 17  44 o 18.870  8.5906  -27.5027   86.463   -27.5027   86.463   0.0000     0.0000   18.870  8.5906  ?       ?       0.000000       8.590566 
1 1 1 -16 17  45 o 19.468  8.7919  -17.9265   88.379   -17.9265   88.379   0.0000     0.0000   19.468  8.7919  ?       ?       0.000000       8.791866 
1 1 1 -16 17  46 o 21.671  9.7376  -4.2675    106.823  202.226    205.983  -80.2342   124.937  34.691  14.540  20.333  9.6103  14.35800       17.42867 
1 1 1 -16 18  1  o 150.122 4.3217  2744.12    157.421  2716.58    220.199  2772.92    225.138  149.101 6.0865  150.626 6.1600  -1.525131      8.659795 
1 1 1 -16 18  2  f 82.373  3.8299  825.566    76.547   886.820    107.280  762.034    109.256  85.112  5.2199  78.792  5.7546  6.319969       7.769350 
1 1 1 -16 18  3  o 134.508 4.2104  2202.67    137.416  2127.17    192.704  2280.78    196.009  131.942 6.0193  136.640 5.9120  -4.698166      8.437016 
1 1 1 -16 18  4  o 96.455  3.9932  1132.32    93.456   1135.56    129.111  1128.75    135.451  96.294  5.5494  95.955  5.8456  0.3390350      8.060174 
1 1 1 -16 18  5  o 284.166 6.2983  9875.41    434.271  9680.67    611.485  10073.59   616.853  280.192 8.9943  285.874 8.8929  -5.681335      12.64834 
1 1 1 -16 18  6  o 103.821 4.0274  1312.05    101.454  1277.09    141.987  1348.52    145.017  102.092 5.7553  104.924 5.7177  -2.831322      8.112675 
1 1 1 -16 18  7  o 154.057 6.3614  2903.89    237.794  2720.75    362.884  3041.71    314.802  147.824 10.179  156.999 8.2932  -9.175125      13.12985 
1 1 1 -16 18  8  o 104.157 5.8918  1330.14    148.290  1392.30    237.233  1290.28    189.979  105.748 9.3418  102.193 7.7185  3.554489       12.11794 
1 1 1 -16 18  9  o 137.695 6.1041  2319.28    203.940  2353.70    318.295  2295.31    265.627  137.570 9.5955  136.337 8.0655  1.233826       12.53502 
1 1 1 -16 18  10 o 173.082 6.7199  3672.28    282.214  3437.04    426.675  3855.24    376.281  165.841 10.660  176.700 8.7763  -10.85838      13.80776 
1 1 1 -16 18  11 o 201.224 5.7246  4951.19    279.503  4800.53    348.261  5223.86    468.523  197.668 7.2611  205.328 9.4041  -7.660721      11.88115 
1 1 1 -16 18  12 o 167.004 4.6330  3402.10    187.739  3250.55    263.946  3557.27    267.088  162.766 6.6832  170.334 6.4623  -7.568222      9.296619 
1 1 1 -16 18  13 o 61.869  4.6124  469.591    68.743   358.038    94.594   594.440    100.072  53.423  7.5044  69.410  6.0009  -15.98718      9.608677 
1 1 1 -16 18  14 o 119.419 4.2402  1739.16    122.865  1633.59    172.566  1847.70    174.974  115.239 6.1942  122.797 5.8725  -7.558197      8.535481 
1 1 1 -16 18  15 o 81.235  4.3054  807.508    84.561   856.158    119.406  758.561    119.770  83.338  5.9440  78.327  6.3568  5.011086       8.702842 
1 1 1 -16 18  16 o 85.539  4.2360  893.223    87.920   838.151    122.793  951.154    125.941  82.348  6.1908  87.812  5.9459  -5.464157      8.583672 
1 1 1 -16 18  17 o 93.626  4.1912  1070.62    95.213   960.404    134.611  1180.97    134.691  88.081  6.3409  97.897  5.6949  -9.816292      8.522877 
1 1 1 -16 18  18 o 119.677 4.2764  1751.05    124.181  1687.45    176.398  1813.54    174.849  116.819 6.2459  121.363 5.9376  -4.543854      8.617791 
1 1 1 -16 18  19 o 44.341  5.3146  244.989    56.039   230.682    78.223   260.073    80.322   42.360  7.9011  45.124  7.6065  -2.763939      10.96755 
1 1 1 -16 18  20 o 18.898  6.9333  36.096     41.641   6.2018     56.593   71.389     61.490   17.979  7.5826  24.732  8.4893  -6.753193      11.38263 
1 1 1 -16 18  21 o 18.370  7.1362  27.472     45.593   103.035    61.626   -63.9008   67.768   28.318  8.3797  15.446  7.2306  12.87172       11.06799 
1 1 1 -16 18  22 o 64.890  4.5712  519.982    71.512   464.983    96.408   587.261    106.630  60.741  6.6499  68.390  6.5041  -7.648262      9.301893 
1 1 1 -16 18  23 o 50.604  5.1598  319.405    62.468   302.013    84.314   340.572    93.012   48.505  7.3981  51.461  7.6844  -2.956184      10.66687 
1 1 1 -16 18  24 o 34.860  8.7352  161.528    73.737   141.058    81.261   256.961    175.460  32.623  9.6138  42.942  14.343  -10.31938      17.26707 
1 1 1 -16 18  25 o 41.457  8.4198  227.085    81.805   160.737    89.871   547.743    197.573  34.569  10.088  61.947  13.524  -27.37792      16.87207 
1 1 1 -16 18  26 o 29.105  8.6476  111.441    65.531   116.156    70.710   82.742     174.441  29.711  9.0182  32.550  13.489  -2.838558      16.22606 
1 1 1 -16 18  27 o 52.977  5.3406  352.329    67.714   413.083    100.454  301.736    91.671   56.539  7.5081  47.916  8.1783  8.623188       11.10204 
1 1 1 -16 18  28 o 24.071  8.2221  70.519     57.669   169.213    83.837   -18.1192   79.452   35.274  9.5576  19.217  8.5315  16.05695       12.81150 
1 1 1 -16 18  29 o 53.953  5.4773  366.602    70.710   316.688    102.831  411.372    97.388   48.609  9.0517  56.431  7.2825  -7.822399      11.61757 
1 1 1 -16 18  30 o 70.429  4.8431  618.520    82.260   505.287    116.128  732.557    116.540  62.248  7.8640  75.944  6.3836  -13.69557      10.12884 
1 1 1 -16 18  31 o 45.252  9.1021  277.616    96.478   322.459    203.392  264.597    109.591  45.575  15.442  43.471  10.507  2.103672       18.67704 
1 1 1 -16 18  32 f 34.938  9.7367  169.322    85.625   213.207    207.499  160.315    94.001   39.153  15.220  33.965  10.416  5.188576       18.44282 
1 1 1 -16 18  33 o 26.849  8.4005  95.730     60.799   97.359     88.053   94.246     84.052   27.948  10.108  27.496  9.8850  0.4517727      14.13810 
1 1 1 -16 18  34 o 42.886  6.9677  242.256    70.017   288.952    102.665  201.651    95.736   45.456  9.6088  37.563  10.228  7.893471       14.03368 
1 1 1 -16 18  35 o 15.737  6.9917  -12.1829   53.456   -26.9614   79.765   -0.1339    72.023   18.425  8.3339  19.016  8.2928  -0.5909977     11.75692 
1 1 1 -16 18  36 o 16.060  7.1905  -16.2015   57.703   -66.1465   86.189   24.371     77.682   17.356  8.1339  21.158  8.9015  -3.802324      12.05805 
1 1 1 -16 18  37 o 40.461  7.0622  219.647    66.810   217.314    95.979   221.840    93.057   38.459  10.141  39.056  9.8276  -0.5970039     14.12135 
1 1 1 -16 18  38 o 21.141  8.2280  46.134     60.698   23.430     84.351   70.516     87.411   21.526  9.1753  25.029  9.8359  -3.503368      13.45107 
1 1 1 -16 18  39 f 22.351  8.5924  55.883     65.574   13.009     91.194   101.783    94.358   21.451  9.3436  27.672  10.383  -6.221609      13.96818 
1 1 1 -16 18  40 o 27.047  8.7319  102.413    65.258   250.013    90.793   -55.3281   93.860   41.582  9.2387  18.436  8.5903  23.14568       12.61536 
1 1 1 -16 18  41 o 25.717  10.028  79.438     90.296   98.379     95.834   -70.3954   269.539  27.399  10.422  29.152  13.877  -1.753103      17.35482 
1 1 1 -16 18  42 o 50.953  9.5218  374.552    113.393  360.273    121.251  474.125    320.187  49.114  10.493  45.041  18.429  4.073601       21.20664 
1 1 1 -16 18  43 o 39.035  10.773  233.485    105.369  233.485    105.369  0.0000     0.0000   39.035  10.773  ?       ?       0.000000       10.77274 
1 1 1 -16 18  44 f 24.300  9.9402  58.791     93.127   58.791     93.127   0.0000     0.0000   24.300  9.9402  ?       ?       0.000000       9.940202 
1 1 1 -16 18  45 o 47.303  11.880  362.496    136.170  -84.9071   281.747  498.855    155.543  28.653  13.784  55.929  11.831  -27.27594      18.16533 
1 1 1 -16 19  1  o 195.748 4.9451  4672.20    234.877  4627.16    329.686  4718.63    334.703  194.314 6.9925  196.214 7.0302  -1.900589      9.915565 
1 1 1 -16 19  2  o 122.612 4.0515  1830.15    120.535  1869.28    169.447  1790.06    171.496  123.718 5.6447  121.039 5.8393  2.678291       8.121587 
1 1 1 -16 19  3  o 71.456  4.1491  623.782    71.627   662.552    98.942   581.087    103.828  73.449  5.5938  68.638  6.3047  4.810448       8.428547 
1 1 1 -16 19  4  o 162.796 4.5438  3229.49    179.485  3185.33    251.579  3275.28    256.143  161.324 6.4270  163.580 6.4534  -2.256058      9.107856 
1 1 1 -16 19  5  o 75.384  6.1072  699.483    110.748  530.419    182.205  798.538    139.468  64.127  12.155  80.360  7.2301  -16.23306      14.14269 
1 1 1 -16 19  6  o 83.741  5.9025  861.517    119.165  1320.07    195.332  589.678    150.395  103.319 7.8503  68.474  9.2920  34.84496       12.16424 
1 1 1 -16 19  7  o 80.814  6.0787  803.422    118.323  690.687    194.304  869.868    149.172  73.632  11.231  83.837  7.4094  -10.20454      13.45499 
1 1 1 -16 19  8  o 12.154  5.9248  -103.0303  56.646   -155.0956  116.726  -86.9914   64.786   18.907  9.0363  14.115  6.7422  4.791710       11.27438 
1 1 1 -16 19  9  o 68.279  6.2869  575.763    102.987  628.385    177.556  549.083    126.426  70.241  10.761  66.294  8.0228  3.946640       13.42237 
1 1 1 -16 19  10 o 41.806  5.5022  217.274    54.457   149.454    72.786   303.515    82.078   34.123  8.7494  49.220  7.0761  -15.09636      11.25270 
1 1 1 -16 19  11 o 98.988  4.0912  1194.14    98.264   1241.50    137.329  1144.46    140.663  100.571 5.6505  96.467  6.0399  4.103943       8.270948 
1 1 1 -16 19  12 o 97.872  4.5480  1169.04    108.004  988.821    167.161  1298.18    141.507  89.179  7.8037  102.811 5.6947  -13.63164      9.660630 
1 1 1 -16 19  13 o 186.056 4.8985  4230.94    221.142  4079.88    312.101  4383.24    313.388  181.980 7.0682  188.713 6.8441  -6.733856      9.838750 
1 1 1 -16 19  14 o 82.595  4.3135  835.070    86.147   797.013    121.480  873.569    122.184  80.282  6.2865  84.133  6.0251  -3.851624      8.707587 
1 1 1 -16 19  15 o 60.144  4.6854  445.015    67.836   454.056    95.072   435.638    96.823   60.352  6.5999  59.029  6.8896  1.322491       9.540725 
1 1 1 -16 19  16 o 113.504 4.2494  1574.45    117.031  1573.81    165.626  1575.10    165.387  112.899 6.0684  112.950 6.0567  -0.5069733E-01 8.573736 
1 1 1 -16 19  17 o 109.124 4.2130  1456.16    111.552  1415.58    158.996  1495.51    156.548  106.949 6.1529  110.027 5.8852  -3.078659      8.514360 
1 1 1 -16 19  18 o 123.795 4.3137  1876.32    129.574  1943.66    184.871  1811.30    181.660  125.438 6.0740  120.892 6.2140  4.545891       8.689463 
1 1 1 -16 19  19 o 49.490  5.0528  304.253    59.825   345.224    82.126   257.932    87.323   52.342  6.6141  44.614  8.3742  7.728310       10.67117 
1 1 1 -16 19  20 o 25.622  7.4093  84.149     48.675   24.144     66.266   154.460    71.731   20.648  8.4085  34.279  8.6298  -13.63173      12.04897 
1 1 1 -16 19  21 o 31.223  6.5578  125.858    48.101   122.658    65.109   129.704    71.370   30.602  8.4771  31.442  8.9344  -0.8400154     12.31602 
1 1 1 -16 19  22 o 71.962  4.4947  639.612    78.089   619.230    106.842  662.987    114.416  70.189  6.3420  72.554  6.5705  -2.364975      9.131912 
1 1 1 -16 19  23 f 16.746  7.3364  -9.4070    56.943   -28.5861   60.107   158.527    177.860  16.004  7.2371  36.889  14.158  -20.88441      15.90070 
1 1 1 -16 19  24 o 16.519  7.2032  -6.6052    54.327   -5.8086    57.043   -14.3785   178.200  16.988  7.3948  28.762  12.772  -11.77392      14.75873 
1 1 1 -16 19  25 o 99.437  6.1336  1242.91    147.267  1311.61    176.199  1083.70    268.229  101.499 7.2012  87.782  12.985  13.71678       14.84817 
1 1 1 -16 19  26 o 88.744  4.8163  978.256    103.320  1047.56    145.950  908.641    146.283  90.894  6.6642  84.305  7.2209  6.588768       9.826083 
1 1 1 -16 19  27 o 36.945  7.9298  181.198    68.959   203.473    102.121  162.528    93.493   38.308  10.618  34.501  10.347  3.807144       14.82590 
1 1 1 -16 19  28 o 74.542  4.7570  691.569    85.592   700.820    122.539  682.755    119.603  74.030  6.9014  73.106  6.8214  0.9246902      9.703642 
1 1 1 -16 19  29 o 86.076  4.6636  921.292    97.038   929.642    139.060  913.366    135.474  85.335  6.7717  84.655  6.6489  0.6796417      9.490161 
1 1 1 -16 19  30 o 39.388  9.4579  213.509    89.251   252.115    210.466  205.044    98.551   41.442  15.515  38.264  10.360  3.177998       18.65626 
1 1 1 -16 19  31 o 83.299  6.9447  893.537    139.084  674.000    262.189  979.508    164.072  63.749  16.737  86.515  7.9031  -22.76666      18.50912 
1 1 1 -16 19  32 o 87.051  4.6865  946.925    98.625   1020.70    138.941  872.007    140.018  89.242  6.4602  81.995  7.1080  7.246208       9.605144 
1 1 1 -16 19  33 o 45.596  6.4666  270.693    69.539   321.219    100.440  224.179    96.371   48.401  8.8797  39.673  10.011  8.727863       13.38180 
1 1 1 -16 19  34 o 15.946  7.1173  -14.7743   56.059   -48.6515   81.733   15.320     77.035   17.608  8.1392  20.556  8.7653  -2.947439      11.96148 
1 1 1 -16 19  35 o 45.577  6.5250  273.033    70.100   247.198    100.698  297.325    97.645   41.226  10.137  46.070  9.0579  -4.843861      13.59452 
1 1 1 -16 19  36 o 55.155  5.6822  392.472    74.956   419.339    109.429  368.725    102.881  55.170  8.4433  51.634  8.5081  3.535427       11.98649 
1 1 1 -16 19  37 o 24.364  8.7755  76.071     66.272   73.167     95.878   78.728     91.706   25.662  10.232  25.845  10.098  -0.1834221     14.37613 
1 1 1 -16 19  38 o 23.859  8.6182  72.794     63.979   109.272    90.816   36.853     90.147   28.133  10.252  22.752  9.5815  5.380594       14.03211 
1 1 1 -16 19  39 o 31.491  8.9401  143.487    71.495   73.968     100.311  215.263    101.927  25.789  10.402  37.453  10.689  -11.66471      14.91482 
1 1 1 -16 19  40 o 45.186  10.114  304.001    108.125  267.516    116.531  529.874    289.947  41.313  11.299  47.932  18.153  -6.618465      21.38237 
1 1 1 -16 19  41 o 16.685  7.8238  -58.7722   79.916   -14.4651   83.875   -495.0457  263.195  19.195  8.6265  22.394  11.228  -3.198488      14.15937 
1 1 1 -16 19  42 o 26.186  10.367  81.533     97.784   81.533     97.784   0.0000     0.0000   26.186  10.367  ?       ?       0.000000       10.36715 
1 1 1 -16 19  43 o 28.056  10.590  108.003    98.477   108.003    98.477   0.0000     0.0000   28.056  10.590  ?       ?       0.000000       10.59050 
1 1 1 -16 19  44 o 36.777  12.309  226.787    129.227  306.042    297.282  208.321    143.493  38.107  16.727  35.091  12.871  3.015789       21.10575 
1 1 1 -16 20  1  o 119.766 4.1257  1746.79    119.895  1635.04    167.324  1864.72    171.881  115.479 5.9922  123.526 5.7346  -8.046783      8.294135 
1 1 1 -16 20  2  o 110.376 4.0089  1483.36    107.365  1490.25    150.918  1476.30    152.774  110.293 5.6584  109.756 5.7567  0.5374680      8.072015 
1 1 1 -16 20  3  o 91.241  5.6568  1021.17    124.618  1229.57    205.500  899.965    156.723  99.485  8.5977  85.230  7.6602  14.25528       11.51515 
1 1 1 -16 20  4  o 13.060  6.3025  -94.1203   60.064   -36.7776   112.159  -117.1775  71.121   22.816  10.132  14.001  6.7821  8.814137       12.19273 
1 1 1 -16 20  5  f 10.407  5.2150  -160.8107  56.354   -164.0871  107.160  -159.5582  66.256   17.481  8.4319  11.991  5.9513  5.490443       10.32063 
1 1 1 -16 20  6  o 36.163  8.4868  167.781    73.190   78.033     129.052  210.334    88.863   30.830  11.998  40.437  9.2567  -9.606768      15.15374 
1 1 1 -16 20  7  o 25.453  9.2007  67.466     72.939   52.897     130.896  74.027     87.840   29.423  11.877  27.257  10.059  2.166210       15.56430 
1 1 1 -16 20  8  o 207.387 5.1420  5254.15    258.749  5208.71    363.532  5300.81    368.370  205.776 7.2809  207.574 7.3139  -1.798447      10.32006 
1 1 1 -16 20  9  o 129.705 4.2297  2051.07    133.117  1833.11    184.995  2285.10    191.695  122.108 6.2649  136.615 5.7829  -14.50611      8.525928 
1 1 1 -16 20  10 o 131.700 4.3099  2115.66    137.727  1988.74    192.955  2247.48    196.647  127.313 6.2462  135.404 5.9854  -8.090523      8.651016 
1 1 1 -16 20  11 o 137.258 4.3338  2298.95    144.335  2270.37    202.733  2328.33    205.537  136.005 6.1434  137.728 6.1504  -1.723175      8.693020 
1 1 1 -16 20  12 o 106.925 4.1005  1394.87    106.385  1340.72    149.601  1450.26    151.315  104.347 5.9332  108.584 5.7639  -4.236214      8.271915 
1 1 1 -16 20  13 o 31.173  6.6545  124.216    48.802   79.185     64.451   184.730    74.713   25.911  8.6929  37.836  8.3609  -11.92527      12.06112 
1 1 1 -16 20  14 o 80.613  4.2324  796.147    82.496   807.806    114.535  783.578    118.922  80.842  5.8793  79.529  6.2121  1.313042       8.553113 
1 1 1 -16 20  15 o 45.372  5.4147  256.371    58.434   228.272    80.747   287.266    84.669   42.097  8.1999  47.522  7.5989  -5.424873      11.17952 
1 1 1 -16 20  16 o 70.216  4.4581  606.148    75.559   589.711    106.125  623.047    107.604  68.762  6.4355  70.723  6.3377  -1.960869      9.032330 
1 1 1 -16 20  17 o 45.553  5.2198  258.505    56.653   272.180    77.979   243.218    82.448   46.247  7.1821  43.392  8.1295  2.855083       10.84764 
1 1 1 -16 20  18 o 35.300  6.1032  158.520    50.384   145.501    70.554   172.070    71.976   33.311  8.6517  36.263  8.3524  -2.951626      12.02554 
1 1 1 -16 20  19 o 28.939  6.9417  108.690    48.117   61.872     65.726   162.759    70.633   23.965  8.7230  35.192  8.3902  -11.22712      12.10311 
1 1 1 -16 20  20 o 91.522  4.2500  1028.71    94.380   968.751    134.290  1087.23    132.671  87.957  6.3347  93.400  5.8842  -5.443077      8.645963 
1 1 1 -16 20  21 o 69.668  5.9168  608.006    99.074   603.308    119.092  618.562    178.538  68.869  7.2349  67.647  11.274  1.222450       13.39590 
1 1 1 -16 20  22 o 127.909 6.1648  2044.69    191.329  2154.00    242.898  1865.99    310.567  130.001 7.7353  118.160 10.957  11.84041       13.41229 
1 1 1 -16 20  23 o 93.196  6.1245  1091.33    137.723  1062.07    161.148  1170.60    265.251  91.254  7.3400  92.143  12.161  -0.8892288     14.20450 
1 1 1 -16 20  24 o 128.760 6.3440  2083.70    198.202  2151.23    244.977  1955.73    337.242  129.460 7.8357  119.397 11.795  10.06286       14.16051 
1 1 1 -16 20  25 o 64.757  5.3605  525.643    83.470   501.203    119.875  548.645    116.296  61.941  8.1759  65.207  7.4861  -3.265907      11.08543 
1 1 1 -16 20  26 o 56.046  5.7059  396.677    76.512   444.361    110.091  352.128    106.410  58.313  7.9910  51.395  8.8524  6.918213       11.92566 
1 1 1 -16 20  27 o 95.313  4.7089  1126.58    108.903  1029.43    151.843  1229.48    156.276  89.690  7.0337  98.367  6.5856  -8.677200      9.635477 
1 1 1 -16 20  28 o 76.231  4.8880  725.350    89.936   857.731    129.606  602.405    124.902  82.026  6.5670  68.035  7.7017  13.99087       10.12135 
1 1 1 -16 20  29 o 78.919  6.9881  801.478    132.431  564.279    249.123  894.909    156.352  58.390  16.727  82.797  7.8776  -24.40671      18.48881 
1 1 1 -16 20  30 o 75.777  7.1034  743.270    129.083  693.766    246.790  761.914    151.452  65.754  15.687  75.832  8.3706  -10.07803      17.78096 
1 1 1 -16 20  31 o 87.048  4.6747  947.304    98.375   963.435    139.411  931.305    138.838  86.466  6.6971  84.934  6.7938  1.532738       9.539788 
1 1 1 -16 20  32 o 16.657  7.2950  -5.2106    56.264   14.827     83.109   -22.1645   76.448   21.219  9.0775  18.305  8.2302  2.913517       12.25308 
1 1 1 -16 20  33 o 79.136  4.9488  790.141    94.549   912.724    135.464  673.699    132.027  83.753  6.7225  71.080  7.7823  12.67345       10.28376 
1 1 1 -16 20  34 o 82.792  4.8786  865.877    97.572   915.399    138.891  817.623    137.102  83.505  6.9171  78.585  7.2726  4.919945       10.03683 
1 1 1 -16 20  35 o 55.044  5.8314  392.524    76.698   318.991    114.390  452.584    103.380  46.495  10.400  57.986  7.5251  -11.49059      12.83678 
1 1 1 -16 20  36 o 23.045  8.5880  63.982     64.339   103.749    90.334   23.042     91.658   27.721  10.206  22.079  9.4916  5.641516       13.93715 
1 1 1 -16 20  37 o 47.941  6.8272  307.998    77.174   399.185    112.517  226.992    106.050  52.899  9.0939  38.327  10.891  14.57251       14.18845 
1 1 1 -16 20  38 o 23.169  8.5542  66.835     63.540   180.203    92.131   -35.9973   87.746   34.480  10.256  18.536  8.5192  15.94428       13.33248 
1 1 1 -16 20  39 o 45.688  10.139  311.990    109.465  292.453    122.469  389.613    244.113  42.953  11.515  43.129  16.579  -0.1764717     20.18586 
1 1 1 -16 20  40 o 16.020  7.6227  -78.8691   81.150   -78.3816   85.185   -83.6525   266.828  16.526  7.8475  28.573  13.658  -12.04763      15.75189 
1 1 1 -16 20  41 o 54.253  6.8903  394.580    88.658   408.192    117.368  376.492    135.297  53.113  9.4538  48.959  11.572  4.153603       14.94275 
1 1 1 -16 20  42 o 43.272  10.246  283.207    105.913  283.207    105.913  0.0000     0.0000   43.272  10.246  ?       ?       0.000000       10.24585 
1 1 1 -16 20  43 o 43.965  17.912  486.145    300.889  486.145    300.889  0.0000     0.0000   43.965  17.912  ?       ?       0.000000       17.91245 
1 1 1 -16 20  44 f 31.691  11.632  162.628    117.221  -267.8149  295.936  242.731    127.663  25.733  12.737  37.501  12.221  -11.76802      17.65226 
1 1 1 -16 21  1  o 145.358 6.1116  2586.56    215.553  2506.73    329.853  2646.06    284.769  141.849 9.6408  146.328 8.0515  -4.478546      12.56073 
1 1 1 -16 21  2  o 164.313 6.4578  3309.06    257.465  3024.73    388.393  3531.95    343.879  155.547 10.350  169.171 8.3775  -13.62457      13.31545 
1 1 1 -16 21  3  o 113.530 5.7587  1580.63    158.115  1634.69    251.679  1545.39    203.226  114.548 9.1310  111.829 7.5336  2.719154       11.83767 
1 1 1 -16 21  4  o 33.433  8.5021  143.370    69.127   170.848    132.713  133.140    80.981   37.554  12.472  32.477  9.6046  5.076668       15.74125 
1 1 1 -16 21  5  o 56.131  6.6746  391.980    89.123   512.289    156.297  334.015    108.490  63.284  10.550  51.204  9.0638  12.07950       13.90895 
1 1 1 -16 21  6  o 54.976  4.5120  371.146    59.656   326.277    81.853   421.982    87.126   51.113  6.7663  58.343  6.2519  -7.230320      9.212408 
1 1 1 -16 21  7  o 190.722 4.9100  4443.28    227.221  4472.39    319.072  4413.32    323.655  190.715 6.8951  189.397 7.0428  1.318405       9.856121 
1 1 1 -16 21  8  o 47.239  5.0117  275.757    56.568   304.617    78.219   244.111    81.907   49.345  6.7067  43.791  8.0036  5.553959       10.44208 
1 1 1 -16 21  9  o 9.0142  4.4629  -84.4731   36.403   -68.3582   48.080   -106.1194  55.724   11.986  5.7474  11.870  5.8058  0.1158009      8.169483 
1 1 1 -16 21  10 o 131.458 4.2246  2109.23    134.751  2030.89    188.342  2191.38    192.873  128.593 6.0363  133.600 5.9498  -5.007355      8.475621 
1 1 1 -16 21  11 o 12.747  5.8565  -30.2295   41.420   16.203     54.278   -94.9733   64.093   18.566  7.5910  13.649  6.5680  4.917217       10.03803 
1 1 1 -16 21  12 o 118.213 4.1128  1706.66    117.968  1833.51    166.089  1577.52    167.585  122.181 5.6024  113.036 6.1331  9.144943       8.306727 
1 1 1 -16 21  13 o 131.193 4.2666  2104.39    135.818  2088.64    190.074  2120.82    194.143  130.204 6.0164  131.175 6.0997  -0.9713593     8.567517 
1 1 1 -16 21  14 o 145.120 4.4443  2578.56    156.495  2503.29    219.328  2656.62    223.361  142.310 6.3518  146.635 6.2778  -4.324905      8.930566 
1 1 1 -16 21  15 o 49.205  5.0870  300.642    59.858   346.827    82.466   249.214    87.021   52.499  6.6211  43.849  8.4858  8.649811       10.76321 
1 1 1 -16 21  16 o 44.625  5.5162  249.197    58.456   300.758    79.367   188.063    86.422   48.704  6.9098  37.731  9.4580  10.97295       11.71316 
1 1 1 -16 21  17 o 45.930  5.4742  264.041    59.805   210.914    81.234   326.911    88.370   40.105  8.6055  50.592  7.4192  -10.48675      11.36215 
1 1 1 -16 21  18 o 11.054  5.2945  -55.7093   40.542   -29.0726   55.217   -86.8668   59.719   15.232  6.9077  13.161  6.3350  2.070835       9.372744 
1 1 1 -16 21  19 o 42.737  5.4129  229.564    54.872   254.745    75.845   201.907    79.484   44.476  7.2799  39.081  8.6141  5.395500       11.27831 
1 1 1 -16 21  20 o 85.126  5.8013  905.742    119.110  926.221    146.798  866.278    203.779  85.448  7.1459  80.516  10.695  4.932320       12.86295 
1 1 1 -16 21  21 o 101.017 5.9106  1277.62    144.242  1269.33    179.207  1292.87    243.068  99.785  7.4555  98.602  10.312  1.182518       12.72503 
1 1 1 -16 21  22 o 53.386  6.4804  363.086    82.224   337.233    96.620   430.971    156.565  50.754  8.1194  55.388  11.997  -4.633842      14.48619 
1 1 1 -16 21  23 f 141.233 4.5917  2467.03    157.354  2421.28    222.106  2513.14    222.960  138.508 6.6088  141.193 6.5080  -2.685715      9.275242 
1 1 1 -16 21  24 o 39.741  7.0671  205.923    65.650   204.202    98.214   207.312    88.266   38.413  10.318  38.991  9.4323  -0.5782280     13.97974 
1 1 1 -16 21  25 o 47.940  6.2310  293.767    70.766   376.211    103.997  222.675    96.572   53.393  8.2966  40.176  9.9570  13.21769       12.96051 
1 1 1 -16 21  26 o 21.523  8.2053  45.801     59.484   105.047    94.147   6.4342     76.743   29.149  10.464  20.283  8.7011  8.866547       13.60872 
1 1 1 -16 21  27 o 118.553 5.9236  1769.55    170.397  1673.71    328.947  1804.69    199.207  107.951 12.808  118.750 6.9439  -10.79955      14.56951 
1 1 1 -16 21  28 o 45.863  8.7613  284.449    93.942   176.773    208.800  311.777    105.190  37.371  15.030  47.707  9.4214  -10.33624      17.73909 
1 1 1 -16 21  29 o 39.104  9.5323  213.045    89.624   165.843    207.549  223.865    99.366   36.517  14.877  39.773  10.236  -3.255703      18.05868 
1 1 1 -16 21  30 o 83.191  4.7278  866.673    95.040   879.271    134.467  854.097    134.346  82.463  6.7805  81.191  6.8844  1.271881       9.662794 
1 1 1 -16 21  31 o 47.590  6.1354  293.286    69.199   265.415    101.853  317.179    94.305   43.170  9.9305  48.310  8.3471  -5.140190      12.97257 
1 1 1 -16 21  32 o 75.544  4.9421  720.809    90.090   694.102    128.166  746.892    126.660  72.396  7.4001  75.446  6.9986  -3.050079      10.18540 
1 1 1 -16 21  33 o 51.786  6.0923  348.895    75.088   415.229    106.857  284.189    105.537  55.113  8.2439  44.204  10.065  10.90918       13.01040 
1 1 1 -16 21  34 o 34.283  7.9689  163.657    65.031   111.950    91.151   217.259    92.806   28.541  10.290  38.443  9.8920  -9.901871      14.27374 
1 1 1 -16 21  35 o 51.664  6.5580  353.963    80.358   334.099    115.295  372.729    112.062  47.360  10.324  50.887  9.4229  -3.526016      13.97795 
1 1 1 -16 21  36 o 32.142  8.5502  148.341    67.846   69.712     101.127  212.703    91.493   25.492  10.385  37.714  9.8799  -12.22268      14.33393 
1 1 1 -16 21  37 o 48.254  6.8857  313.638    78.335   669.302    110.471  -46.0639   111.096  71.121  6.4724  20.382  9.4452  50.73924       11.45003 
1 1 1 -16 21  38 o 26.162  10.267  84.912     95.120   115.918    106.591  -36.3262   210.776  28.808  10.983  27.090  12.704  1.717312       16.79347 
1 1 1 -16 21  39 o 18.193  8.2705  -24.0390   79.779   -46.6744   88.456   74.648     184.699  18.116  8.4068  29.430  13.040  -11.31390      15.51464 
1 1 1 -16 21  40 o 55.277  6.6859  408.021    87.851   482.611    118.360  316.519    131.093  58.545  8.5873  44.249  11.936  14.29558       14.70371 
1 1 1 -16 21  41 f 73.360  7.8942  742.002    138.305  742.002    138.305  0.0000     0.0000   73.360  7.8942  ?       ?       0.000000       7.894155 
1 1 1 -16 21  42 o 38.750  16.967  341.645    304.212  341.645    304.212  0.0000     0.0000   38.750  16.967  ?       ?       0.000000       16.96691 
1 1 1 -16 21  43 o 21.723  9.8746  -8.2768    113.691  -236.6759  257.052  47.269     126.765  24.549  12.099  25.024  10.955  -0.4753265     16.32183 
1 1 1 -16 22  1  o 85.931  5.7853  907.866    119.925  817.449    194.993  962.873    152.091  80.375  10.230  88.203  7.1686  -7.827995      12.49199 
1 1 1 -16 22  2  o 16.028  7.1063  -18.4117   54.949   0.9190     114.980  -24.1335   62.555   24.962  10.678  16.885  7.5287  8.076473       13.06521 
1 1 1 -16 22  3  o 82.514  5.8569  838.020    116.502  617.296    192.698  965.177    146.259  69.099  11.924  88.355  6.8764  -19.25602      13.76485 
1 1 1 -16 22  4  o 67.759  4.1420  561.836    67.772   635.519    94.737   484.608    96.990   71.863  5.4743  62.499  6.4903  9.364120       8.490712 
1 1 1 -16 22  5  f 46.241  4.9084  264.147    54.229   265.044    74.228   263.120    79.419   45.934  6.8710  45.637  7.4274  0.2961044      10.11818 
1 1 1 -16 22  6  o 129.369 4.2200  2041.75    132.469  2059.20    185.309  2023.51    189.437  129.581 5.8937  128.409 6.0800  1.171967       8.467729 
1 1 1 -16 22  7  o 102.282 4.0779  1276.12    101.204  1270.61    141.508  1281.88    144.796  101.629 5.7623  102.052 5.8722  -0.4237518     8.227199 
1 1 1 -16 22  8  o 98.935  4.0406  1194.26    96.997   1068.57    135.690  1325.61    138.708  93.072  6.0411  103.837 5.5253  -10.76483      8.186829 
1 1 1 -16 22  9  o 77.081  4.1823  727.613    77.930   640.734    107.563  823.599    113.061  71.898  6.2272  81.700  5.7398  -9.801804      8.468926 
1 1 1 -16 22  10 o 151.780 4.4462  2816.90    163.744  2772.94    229.591  2862.41    233.599  149.997 6.3082  152.395 6.3174  -2.397400      8.927670 
1 1 1 -16 22  11 o 129.946 4.2626  2064.62    134.399  1975.25    187.973  2158.10    192.237  126.582 6.1201  132.357 5.9858  -5.775070      8.560730 
1 1 1 -16 22  12 o 97.392  4.0948  1159.73    96.767   1149.94    135.811  1169.83    137.911  96.430  5.8318  97.251  5.8720  -0.8207169     8.275891 
1 1 1 -16 22  13 o 9.7841  4.7654  -64.9819   36.418   -108.3857  47.380   -2.3122    56.932   10.295  5.0960  17.379  7.4760  -7.083612      9.047640 
1 1 1 -16 22  14 o 101.049 4.1717  1250.60    102.285  1122.19    141.843  1389.71    147.639  94.997  6.1874  105.919 5.7663  -10.92254      8.457840 
1 1 1 -16 22  15 o 38.675  5.8109  188.945    52.845   200.238    70.529   174.490    79.793   39.327  7.6665  36.356  9.0741  2.971413       11.87916 
1 1 1 -16 22  16 o 21.502  7.2652  54.642     45.023   23.397     58.888   98.602     69.851   19.647  7.9539  27.998  9.0334  -8.350809      12.03608 
1 1 1 -16 22  17 o 19.761  7.2434  40.515     45.434   81.962     59.820   -15.9896   69.846   25.670  8.3658  18.224  8.0493  7.446009       11.60939 
1 1 1 -16 22  18 o 29.353  7.0091  112.514    49.232   153.240    66.220   62.185     73.614   34.061  8.1261  24.510  9.1759  9.551107       12.25687 
1 1 1 -16 22  19 o 39.690  7.4508  205.350    69.119   187.430    81.477   251.353    130.545  37.384  9.0739  42.380  12.098  -4.995628      15.12238 
1 1 1 -16 22  20 o 18.065  7.6370  7.7444     57.629   -24.6483   65.997   111.729    118.246  17.071  7.6633  31.100  11.632  -14.02954      13.92962 
1 1 1 -16 22  21 o 85.824  5.8900  925.753    121.912  939.042    148.370  898.133    213.899  85.716  7.2005  81.057  11.173  4.659615       13.29183 
1 1 1 -16 22  22 o 77.511  4.4083  744.688    82.567   787.409    116.274  701.235    117.267  78.951  6.1174  74.252  6.5769  4.699051       8.982082 
1 1 1 -16 22  23 o 22.708  8.2041  58.436     57.982   69.318     84.580   48.787     79.642   25.684  9.7859  23.647  9.3580  2.036476       13.54016 
1 1 1 -16 22  24 o 58.816  5.5736  436.477    78.592   298.524    113.691  562.732    108.765  46.373  10.365  66.224  6.8687  -19.85068      12.43412 
1 1 1 -16 22  25 o 96.625  4.8134  1160.55    112.850  1100.65    157.103  1224.40    162.208  92.615  7.0438  97.829  6.8772  -5.214211      9.844289 
1 1 1 -16 22  26 o 65.460  7.5536  558.560    117.775  820.714    237.865  473.418    135.557  74.302  13.698  58.832  9.8439  15.47000       16.86853 
1 1 1 -16 22  27 o 33.323  9.7761  154.000    84.196   -61.6983   217.629  191.967    91.307   28.915  13.336  37.011  9.9518  -8.095200      16.63998 
1 1 1 -16 22  28 o 42.982  9.2871  255.646    94.028   306.324    219.361  244.238    104.074  43.472  15.919  41.417  10.377  2.054665       19.00251 
1 1 1 -16 22  29 o 52.243  5.7737  349.564    71.966   361.520    106.649  339.569    97.515   51.417  8.8688  50.140  8.3061  1.277035       12.15105 
1 1 1 -16 22  30 o 28.593  7.9977  111.900    57.659   51.777     84.372   164.585    78.980   23.776  9.5572  34.130  9.2887  -10.35474      13.32742 
1 1 1 -16 22  31 o 56.237  5.6146  405.971    75.588   387.645    106.616  424.493    107.183  53.111  8.5645  55.922  8.1378  -2.811443      11.81421 
1 1 1 -16 22  32 o 42.479  6.6053  239.182    65.870   190.342    94.030   286.242    92.301   35.876  10.276  45.232  8.7262  -9.356052      13.48121 
1 1 1 -16 22  33 o 48.400  6.2363  307.920    71.533   293.851    104.594  320.283    98.049   44.810  9.8852  47.676  8.8000  -2.866219      13.23470 
1 1 1 -16 22  34 o 24.451  8.6836  78.664     64.674   83.253     90.864   73.952     92.075   25.985  10.080  25.352  10.053  0.6336288      14.23584 
1 1 1 -16 22  35 o 59.872  5.7524  467.146    82.539   448.695    118.213  484.699    115.297  56.051  8.9962  58.928  8.2931  -2.877022      12.23548 
1 1 1 -16 22  36 o 58.683  5.9825  452.111    83.992   653.060    118.571  249.716    118.996  69.569  7.1248  39.285  11.649  30.28425       13.65483 
1 1 1 -16 22  37 o 28.815  10.616  119.521    97.776   246.872    109.437  -384.3200  217.676  39.591  10.999  20.967  10.468  18.62376       15.18348 
1 1 1 -16 22  38 o 30.404  10.351  138.366    91.390   89.044     102.453  330.453    202.188  26.710  10.600  41.121  15.244  -14.41040      18.56718 
1 1 1 -16 22  39 o 72.315  5.7108  680.263    99.389   595.019    132.313  790.644    150.564  64.954  8.6073  75.198  8.3952  -10.24383      12.02350 
1 1 1 -16 22  40 f 31.617  10.582  153.346    95.509   153.346    95.509   0.0000     0.0000   31.617  10.582  ?       ?       0.000000       10.58218 
1 1 1 -16 22  41 o 26.062  12.677  -155.9557  255.369  -155.9557  255.369  0.0000     0.0000   26.062  12.677  ?       ?       0.000000       12.67701 
1 1 1 -16 22  42 o 29.298  11.441  130.450    117.670  362.874    286.176  83.159     129.087  38.412  16.642  26.822  11.390  11.58938       20.16604 
1 1 1 -16 23  1  o 116.227 5.8801  1660.10    165.288  1490.23    258.313  1777.88    215.085  108.825 9.8906  119.839 7.4336  -11.01414      12.37261 
1 1 1 -16 23  2  o 99.657  4.0117  1210.90    97.006   1115.55    135.481  1311.20    138.959  95.203  5.8939  103.321 5.5634  -8.117485      8.104899 
1 1 1 -16 23  3  o 18.648  6.8427  34.418     40.562   47.271     56.322   20.570     58.464   21.857  8.0567  19.547  7.9211  2.309217       11.29838 
1 1 1 -16 23  4  o 48.033  4.8601  284.908    55.863   304.261    76.435   262.717    81.847   49.317  6.5496  45.502  7.6872  3.814934       10.09899 
1 1 1 -16 23  5  o 78.326  4.1487  750.799    78.567   720.300    108.659  784.215    113.735  76.372  5.9097  79.704  5.9233  -3.332214      8.367164 
1 1 1 -16 23  6  o 84.824  5.2404  884.929    107.329  905.744    135.790  850.275    175.205  85.484  6.5977  82.084  8.9414  3.400368       11.11209 
1 1 1 -16 23  7  o 71.107  4.2595  619.899    73.153   615.487    100.345  624.903    106.870  70.511  5.9198  70.967  6.2709  -0.4555664     8.623708 
1 1 1 -16 23  8  o 67.465  4.2439  558.436    69.117   508.070    95.655   613.461    99.982   63.912  6.2481  70.368  5.9105  -6.455650      8.600725 
1 1 1 -16 23  9  o 65.146  4.3072  521.294    67.700   419.324    93.755   632.393    97.862   57.829  6.8123  71.474  5.6900  -13.64499      8.876020 
1 1 1 -16 23  10 o 34.488  6.0118  150.799    48.479   169.053    64.858   127.690    72.976   36.194  7.6260  31.451  9.0657  4.742228       11.84659 
1 1 1 -16 23  11 o 95.406  4.1608  1114.01    96.320   967.411    133.661  1272.38    138.926  88.206  6.2863  101.434 5.6673  -13.22843      8.463766 
1 1 1 -16 23  12 o 49.379  4.8921  302.502    57.842   324.173    80.304   279.136    83.386   50.667  6.6962  46.681  7.6251  3.985313       10.14794 
1 1 1 -16 23  13 o 58.624  4.5137  424.388    63.712   428.208    88.043   420.188    92.312   58.409  6.3127  57.728  6.7159  0.6810417      9.216969 
1 1 1 -16 23  14 o 16.381  6.5950  16.275     40.244   67.372     51.536   -63.5756   64.425   23.543  7.7695  14.914  7.0033  8.628573       10.45997 
1 1 1 -16 23  15 o 83.172  4.2414  851.802    85.311   823.454    118.340  882.474    123.095  81.157  6.0531  84.019  6.0792  -2.861931      8.578810 
1 1 1 -16 23  16 o 44.489  5.4055  248.674    57.153   234.613    78.009   264.967    83.973   42.415  7.8696  45.104  7.9641  -2.689079      11.19628 
1 1 1 -16 23  17 o 36.775  8.1464  178.793    70.777   167.556    78.962   224.720    159.636  35.352  9.1386  40.400  13.680  -5.047821      16.45179 
1 1 1 -16 23  18 o 73.013  6.1386  671.675    107.741  660.128    126.320  702.497    206.387  71.809  7.3535  70.898  12.452  0.9119034      14.46100 
1 1 1 -16 23  19 o 19.628  7.8180  28.964     55.920   -5.3027    62.996   156.308    121.442  17.838  7.7680  34.439  11.924  -16.60058      14.23121 
1 1 1 -16 23  20 o 74.743  6.0310  705.208    108.445  765.556    130.688  571.781    194.323  77.362  7.0391  62.882  13.159  14.48052       14.92313 
1 1 1 -16 23  21 o 21.625  7.4143  56.078     46.896   66.512     65.007   44.756     67.718   24.050  8.6871  22.229  8.6799  1.820847       12.28035 
1 1 1 -16 23  22 o 47.607  6.0590  289.317    68.404   219.260    95.102   364.413    98.462   39.832  9.8863  52.650  7.9554  -12.81840      12.68967 
1 1 1 -16 23  23 o 24.517  8.2340  75.313     57.827   88.344     84.379   63.772     79.408   27.201  9.8862  24.775  9.4718  2.425562       13.69130 
1 1 1 -16 23  24 o 10.318  5.1114  -108.4600  48.020   -142.1194  76.948   -86.9907   61.455   13.770  6.7532  13.307  6.4103  0.4628372      9.311135 
1 1 1 -16 23  25 f 52.513  8.4944  369.037    104.538  384.211    219.382  364.580    118.905  48.466  16.032  51.369  9.8986  -2.903755      18.84151 
1 1 1 -16 23  26 o 39.186  9.9186  215.854    94.392   325.851    210.288  188.099    105.632  44.844  15.682  36.279  11.025  8.565025       19.16924 
1 1 1 -16 23  27 o 69.981  7.2980  640.453    122.099  621.384    260.534  645.820    138.216  59.579  17.117  69.517  8.3619  -9.938091      19.04993 
1 1 1 -16 23  28 f 53.179  6.1474  365.128    77.861   369.501    111.291  360.936    108.971  51.684  9.2121  51.131  9.1177  0.5526810      12.96130 
1 1 1 -16 23  29 o 62.864  5.5960  505.366    84.465   513.581    122.502  497.922    116.618  61.472  8.4354  60.753  8.1138  0.7190170      11.70425 
1 1 1 -16 23  30 o 51.391  5.8611  341.768    71.778   383.095    102.640  302.214    100.415  52.924  8.2629  46.229  9.2747  6.695408       12.42156 
1 1 1 -16 23  31 o 9.5604  4.7959  -133.8849  48.328   -118.7632  68.131   -149.1994  68.564   13.028  6.3821  12.232  6.0681  0.7955894      8.806404 
1 1 1 -16 23  32 o 22.889  8.3046  65.347     59.503   111.711    85.455   21.712     82.903   28.260  9.9875  21.204  9.0687  7.055862       13.49036 
1 1 1 -16 23  33 o 35.955  8.1540  182.796    69.499   241.064    96.421   119.787    100.266  40.137  9.9502  29.039  10.741  11.09800       14.64149 
1 1 1 -16 23  34 o 40.819  7.3826  229.533    70.428   359.735    95.543   74.603     104.222  50.808  8.0157  25.822  10.534  24.98660       13.23678 
1 1 1 -16 23  35 o 13.992  6.5940  -50.8676   58.021   -56.4165   80.017   -44.7151   84.256   16.679  7.8234  17.662  8.1992  -0.9831314     11.33284 
1 1 1 -16 23  36 o 37.253  10.920  219.584    105.093  233.295    118.545  169.245    227.141  37.745  11.717  33.466  14.657  4.279549       18.76471 
1 1 1 -16 23  37 o 11.708  5.8937  -215.4243  76.428   -170.5033  85.965   -384.8445  166.948  13.823  6.8464  17.564  8.8246  -3.740872      11.16900 
1 1 1 -16 23  38 o 28.840  8.9663  121.040    69.389   79.436     95.870   166.812    100.559  25.682  10.234  32.725  10.855  -7.043182      14.91918 
1 1 1 -16 23  39 o 30.911  10.855  146.891    100.817  146.891    100.817  0.0000     0.0000   30.911  10.855  ?       ?       0.000000       10.85528 
1 1 1 -16 23  40 o 33.421  15.133  173.669    263.832  173.669    263.832  0.0000     0.0000   33.421  15.133  ?       ?       0.000000       15.13310 
1 1 1 -16 23  41 o 22.854  9.5896  48.780     89.769   114.106    276.084  41.057     94.928   31.366  14.654  22.714  9.7090  8.651554       17.57867 
1 1 1 -16 24  1  o 14.925  6.3139  2.1883     39.433   27.896     52.374   -31.4571   59.917   19.406  7.6176  15.987  7.2278  3.419065       10.50089 
1 1 1 -16 24  2  o 169.628 4.6405  3517.89    190.997  3431.59    267.150  3608.11    273.171  166.881 6.5976  171.127 6.5789  -4.245789      9.317163 
1 1 1 -16 24  3  o 121.273 4.0491  1795.22    119.148  1692.47    166.594  1902.82    170.473  117.363 5.8501  124.497 5.6433  -7.134346      8.128392 
1 1 1 -16 24  4  o 111.746 4.0966  1524.88    111.077  1531.08    155.536  1518.42    158.683  111.473 5.7702  110.967 5.9148  0.5062485      8.263167 
1 1 1 -16 24  5  o 80.841  4.0918  800.296    80.001   826.548    112.101  773.050    114.205  81.812  5.6824  79.026  6.0007  2.785606       8.264293 
1 1 1 -16 24  6  o 85.451  4.0231  892.068    83.415   821.289    116.649  966.138    119.331  81.451  5.9433  88.474  5.5874  -7.023438      8.157321 
1 1 1 -16 24  7  o 22.408  7.0760  61.635     43.035   119.142    58.313   -7.1521    63.776   30.349  7.8571  18.075  7.8436  12.27388       11.10208 
1 1 1 -16 24  8  o 83.212  4.1063  846.940    82.909   923.134    115.890  767.058    118.661  86.412  5.5567  78.528  6.2802  7.884552       8.385550 
1 1 1 -16 24  9  o 87.771  4.0659  942.659    86.591   879.421    119.395  1012.83    125.769  84.190  5.8816  90.417  5.7627  -6.226768      8.234221 
1 1 1 -16 24  10 o 41.471  5.4533  215.557    53.544   236.244    73.859   192.642    77.735   42.934  7.3543  38.368  8.5667  4.566750       11.29041 
1 1 1 -16 24  11 f 130.254 4.3074  2081.20    136.135  1973.47    190.707  2193.14    194.393  126.083 6.2337  133.015 6.0230  -6.932419      8.668095 
1 1 1 -16 24  12 o 98.324  4.1161  1185.66    98.200   1219.54    136.014  1148.76    141.925  99.086  5.6810  95.976  6.1264  3.109581       8.354988 
1 1 1 -16 24  13 o 44.300  5.1441  245.502    54.265   270.314    75.552   219.062    77.991   45.965  6.9949  40.924  8.1406  5.040249       10.73301 
1 1 1 -16 24  14 o 128.929 4.3236  2044.59    135.257  1970.83    189.102  2121.86    193.540  125.678 6.2011  130.455 6.1143  -4.776672      8.708549 
1 1 1 -16 24  15 o 97.742  4.1784  1175.07    99.097   1070.86    136.758  1290.29    143.796  92.398  6.1348  101.601 5.8577  -9.202927      8.482263 
1 1 1 -16 24  16 o 34.524  8.4128  158.908    69.829   124.602    77.765   301.718    158.662  30.729  9.4820  45.743  13.420  -15.01441      16.43197 
1 1 1 -16 24  17 o 51.695  6.8830  343.063    84.189   345.842    95.833   333.664    176.218  51.463  7.9292  47.492  14.197  3.971909       16.26094 
1 1 1 -16 24  18 o 35.916  8.4449  173.060    72.358   225.951    80.933   -37.5909   161.518  41.169  8.3867  26.365  11.898  14.80376       14.55698 
1 1 1 -16 24  19 o 78.775  4.3898  769.500    83.574   747.656    116.530  792.636    119.927  76.770  6.3116  79.063  6.3038  -2.292603      8.920497 
1 1 1 -16 24  20 o 29.418  7.7850  115.503    56.434   139.258    77.588   88.818     82.233   32.025  9.3816  27.159  9.7760  4.865498       13.54935 
1 1 1 -16 24  21 o 67.690  5.0791  574.057    82.813   595.422    113.295  549.547    121.349  68.024  6.9623  64.817  7.8778  3.206406       10.51344 
1 1 1 -16 24  22 o 24.358  8.3099  73.715     58.907   61.146     86.402   84.631     80.523   25.041  9.7971  26.614  9.6600  -1.572823      13.75857 
1 1 1 -16 24  23 o 15.541  6.8879  -12.4590   51.581   243.230    74.830   -243.9305  71.198   42.929  7.4543  10.723  5.4299  32.20581       9.222252 
1 1 1 -16 24  24 o 49.821  8.8254  336.188    102.781  518.987    216.075  282.732    116.847  56.766  15.328  44.432  10.917  12.33374       18.81833 
1 1 1 -16 24  25 f 20.360  8.7041  11.190     76.319   235.204    206.574  -24.2189   82.129   39.641  15.248  18.965  8.5284  20.67583       17.47098 
1 1 1 -16 24  26 o 28.900  9.8199  111.996    82.257   153.420    201.814  103.743    90.080   35.264  14.553  28.396  10.231  6.867640       17.78910 
1 1 1 -16 24  27 o 39.078  7.7749  206.974    71.127   279.901    107.873  150.882    94.606   44.067  10.277  32.526  10.515  11.54096       14.70338 
1 1 1 -16 24  28 o 53.440  6.1126  370.498    77.835   357.210    113.606  382.254    106.855  50.161  9.6847  52.676  8.6613  -2.514957      12.99280 
1 1 1 -16 24  29 o 19.107  7.9074  23.150     59.825   57.545     92.872   -1.2450    78.214   24.543  9.9701  19.482  8.5648  5.061615       13.14380 
1 1 1 -16 24  30 o 32.584  7.7779  147.617    60.641   121.573    87.662   171.517    83.976   29.270  10.131  34.196  9.6825  -4.925520      14.01393 
1 1 1 -16 24  31 o 24.611  8.4352  81.398     60.700   31.552     85.056   133.133    86.652   21.962  9.2811  30.155  10.080  -8.192961      13.70176 
1 1 1 -16 24  32 o 37.468  7.8186  196.590    68.782   176.806    93.487   219.938    101.559  33.974  10.382  37.675  10.641  -3.700775      14.86683 
1 1 1 -16 24  33 o 44.052  6.9881  264.121    72.201   319.941    98.806   200.161    105.765  47.009  8.9900  35.478  11.076  11.53149       14.26555 
1 1 1 -16 24  34 o 25.714  8.6030  93.039     63.124   -14.6853   85.468   222.325    93.632   19.148  8.6467  38.145  9.9957  -18.99744      13.21663 
1 1 1 -16 24  35 o 43.277  9.5792  279.523    97.930   316.428    108.082  110.294    231.442  45.729  10.018  31.416  14.204  14.31313       17.38138 
1 1 1 -16 24  36 f 22.156  9.5466  28.359     93.142   48.689     103.349  -59.5859   214.951  24.042  10.199  26.358  12.502  -2.316526      16.13428 
1 1 1 -16 24  37 o 17.253  7.6627  -6.1039    64.156   8.0237     92.767   -19.0554   88.822   21.007  9.2775  19.276  8.7490  1.731094       12.75216 
1 1 1 -16 24  38 f 26.470  10.158  94.490     91.557   94.490     91.557   0.0000     0.0000   26.470  10.158  ?       ?       0.000000       10.15848 
1 1 1 -16 24  39 o 28.346  13.408  -3.1939    244.068  -3.1939    244.068  0.0000     0.0000   28.346  13.408  ?       ?       0.000000       13.40848 
1 1 1 -16 24  40 o 16.235  7.7657  -82.1622   86.563   129.635    243.590  -112.7742  92.607   31.061  14.246  15.924  7.7197  15.13725       16.20292 
1 1 1 -16 25  1  o 156.462 4.5037  2994.71    170.976  2930.55    238.938  3062.03    244.762  154.133 6.3889  157.547 6.4028  -3.413879      9.045101 
1 1 1 -16 25  2  o 104.606 4.0733  1336.88    103.387  1257.12    143.739  1422.38    148.816  100.887 5.8975  107.385 5.7321  -6.498299      8.224242 
1 1 1 -16 25  3  o 17.054  6.6182  23.121     39.182   -22.6565   53.256   77.145     57.854   15.393  6.8990  25.223  8.2275  -9.829521      10.73722 
1 1 1 -16 25  4  o 56.859  4.4448  398.141    60.834   457.946    85.480   336.766    86.595   60.685  5.8789  51.641  7.0986  9.044567       9.216930 
1 1 1 -16 25  5  o 95.853  4.0486  1123.54    94.162   1098.73    132.373  1148.95    133.971  94.224  5.8184  96.381  5.7550  -2.157188      8.183751 
1 1 1 -16 25  6  o 16.515  6.6373  16.464     40.684   -1.4007    57.189   34.770     57.891   17.482  7.5059  20.647  8.0356  -3.164927      10.99588 
1 1 1 -16 25  7  o 116.902 4.1662  1673.59    118.176  1625.78    165.207  1723.69    169.113  114.515 5.9664  118.086 5.9022  -3.571381      8.392450 
1 1 1 -16 25  8  o 12.327  5.6550  -26.7305   38.417   -34.8529   51.494   -16.5352   57.692   14.282  6.5502  16.465  7.2916  -2.182485      9.801679 
1 1 1 -16 25  9  f 118.309 4.1757  1716.30    119.869  1700.01    167.604  1733.36    171.503  116.980 5.9242  118.087 6.0054  -1.106773      8.435673 
1 1 1 -16 25  10 o 153.527 4.5547  2898.43    169.669  2831.76    238.138  2967.18    241.801  150.699 6.5126  154.295 6.4587  -3.595642      9.172162 
1 1 1 -16 25  11 o 70.606  4.2960  614.780    73.248   569.084    102.221  663.003    105.011  67.278  6.3366  72.785  5.9995  -5.507553      8.726146 
1 1 1 -16 25  12 o 82.620  4.1922  841.076    83.766   786.286    116.502  899.716    120.527  79.192  6.1103  84.834  5.8918  -5.642570      8.488171 
1 1 1 -16 25  13 o 115.358 4.2439  1637.62    118.789  1674.16    166.927  1600.13    169.080  115.701 5.9663  112.978 6.1914  2.722984       8.598275 
1 1 1 -16 25  14 o 49.729  6.8415  316.957    80.366   267.861    95.385   437.081    149.202  44.763  9.0923  56.284  11.317  -11.52150      14.51734 
1 1 1 -16 25  15 o 40.690  8.0341  218.792    76.507   216.456    86.400   227.276    164.656  40.071  9.0944  40.252  13.888  -0.1807976     16.60036 
1 1 1 -16 25  16 o 52.715  6.9296  357.594    86.488   475.038    99.098   -17.7861   177.168  60.915  6.8217  28.250  12.628  32.66550       14.35235 
1 1 1 -16 25  17 o 56.130  6.8833  405.280    91.781   334.477    105.737  621.639    184.838  49.898  9.0673  66.413  11.908  -16.51448      14.96699 
1 1 1 -16 25  18 o 75.716  4.4521  712.129    81.434   633.633    112.497  798.537    118.031  70.391  6.6660  79.359  6.1783  -8.968277      9.088862 
1 1 1 -16 25  19 o 16.412  7.1655  -5.6823    53.917   139.925    80.487   -124.2149  72.619   32.035  9.5986  13.704  6.6867  18.33107       11.69814 
1 1 1 -16 25  20 o 51.321  5.6285  334.212    68.939   320.791    93.598   350.126    101.921  49.144  8.1338  51.191  8.5039  -2.046661      11.76751 
1 1 1 -16 25  21 o 47.882  5.9648  293.286    67.798   269.534    92.949   320.289    99.109   44.532  8.9133  48.761  8.6957  -4.228973      12.45239 
1 1 1 -16 25  22 o 42.150  13.752  270.845    161.621  -57.2153   301.795  402.767    191.378  33.224  15.455  50.376  14.728  -17.15228      21.34817 
1 1 1 -16 25  23 o 21.395  8.8401  28.564     74.597   -116.4567  149.030  77.047     86.169   22.276  10.519  26.107  9.8941  -3.830719      14.44088 
1 1 1 -16 25  24 f 15.497  7.2550  -57.2533   68.257   96.347     182.086  -82.3658   73.625   32.129  13.579  15.203  7.2411  16.92605       15.38863 
1 1 1 -16 25  25 o 31.594  9.9695  140.278    85.440   197.489    218.594  129.962    92.824   37.372  15.252  30.683  10.432  6.689434       18.47780 
1 1 1 -16 25  26 o 25.796  8.7300  87.800     65.009   181.806    98.321   14.781     86.653   35.245  10.620  21.441  9.2234  13.80387       14.06602 
1 1 1 -16 25  27 o 18.095  7.7559  8.0164     60.881   -88.6193   95.209   74.862     79.186   17.516  8.3115  25.076  9.4892  -7.560522      12.61449 
1 1 1 -16 25  28 o 64.481  5.7613  537.013    89.191   680.170    130.301  410.805    122.345  71.028  7.6831  53.412  9.8015  17.61606       12.45388 
1 1 1 -16 25  29 o 51.130  6.4033  345.311    77.698   319.788    113.843  367.567    106.308  46.265  10.395  50.948  8.9247  -4.683685      13.70043 
1 1 1 -16 25  30 o 26.350  8.6183  97.160     63.464   139.275    95.913   64.361     84.644   30.591  10.597  24.148  9.6185  6.442987       14.31095 
1 1 1 -16 25  31 o 46.554  6.6406  291.331    72.886   312.845    100.061  267.014    106.381  46.302  9.2303  41.577  10.533  4.724525       14.00494 
1 1 1 -16 25  32 o 29.345  8.5786  125.317    64.935   112.176    87.557   141.380    96.800   27.873  10.080  30.424  10.640  -2.551634      14.65609 
1 1 1 -16 25  33 o 18.265  7.7502  16.830     59.699   -24.6153   80.618   67.152     88.833   18.101  8.2618  24.297  9.7926  -6.195793      12.81220 
1 1 1 -16 25  34 o 19.189  8.4683  2.8737     77.148   19.740     84.595   -80.4730   188.052  20.880  9.0470  24.371  11.598  -3.491047      14.70942 
1 1 1 -16 25  35 o 23.493  9.4800  60.254     83.365   30.043     90.296   234.670    216.960  21.971  9.4322  35.471  14.897  -13.49990      17.63213 
1 1 1 -16 25  36 o 50.333  6.7474  342.598    80.330   393.386    111.746  288.285    115.558  51.838  9.2222  42.459  11.094  9.379406       14.42666 
1 1 1 -16 25  37 f 32.619  11.058  170.520    104.313  170.520    104.313  0.0000     0.0000   32.619  11.058  ?       ?       0.000000       11.05845 
1 1 1 -16 25  38 o 24.305  11.850  -163.7846  226.860  -163.7846  226.860  0.0000     0.0000   24.305  11.850  ?       ?       0.000000       11.85006 
1 1 1 -16 25  39 o 23.121  9.6680  54.203     90.762   114.937    271.663  46.572     96.295   30.861  14.456  22.980  9.7994  7.881039       17.46446 
1 1 1 -16 26  1  o 73.864  4.1559  669.507    74.180   647.246    101.778  694.732    108.343  72.217  5.8588  74.789  6.0213  -2.572540      8.401327 
1 1 1 -16 26  2  o 59.968  4.3612  442.704    63.023   427.280    86.271   460.356    92.289   58.483  6.1728  60.674  6.3635  -2.191559      8.865547 
1 1 1 -16 26  3  o 52.883  4.5433  345.385    57.731   391.396    80.000   295.388    83.394   55.977  5.9826  48.158  7.3713  7.818951       9.493580 
1 1 1 -16 26  4  o 57.908  4.3935  413.405    61.272   453.804    86.017   371.792    87.300   60.301  5.9568  54.293  6.7743  6.007896       9.020777 
1 1 1 -16 26  5  o 96.702  4.9016  1152.99    114.633  1168.09    133.026  1109.40    225.941  97.073  5.6725  92.415  10.249  4.657349       11.71364 
1 1 1 -16 26  6  o 92.718  4.0405  1053.25    90.899   1004.59    127.197  1104.04    129.947  89.886  5.8641  94.308  5.7057  -4.421165      8.181845 
1 1 1 -16 26  7  o 54.785  4.5057  371.254    59.364   309.655    82.948   435.931    84.996   49.262  7.1483  58.977  6.0241  -9.715332      9.348164 
1 1 1 -16 26  8  o 44.440  5.0846  246.790    53.841   180.486    73.170   325.080    79.509   37.029  8.3437  50.623  6.6325  -13.59412      10.65869 
1 1 1 -16 26  9  o 43.126  5.2013  233.143    53.329   237.437    73.027   228.237    78.062   42.902  7.2752  41.809  7.9863  1.093571       10.80318 
1 1 1 -16 26  10 f 40.006  5.5059  202.098    52.030   208.717    68.841   193.278    79.458   40.100  7.3460  38.113  8.7738  1.986565       11.44307 
1 1 1 -16 26  11 o 87.116  4.1619  933.649    87.974   961.243    122.508  904.269    126.412  87.652  5.7929  84.825  6.1845  2.827538       8.473798 
1 1 1 -16 26  12 o 86.735  4.2026  926.547    88.447   972.450    123.994  878.997    126.200  88.074  5.8352  83.507  6.2742  4.567413       8.568254 
1 1 1 -16 26  13 f 50.138  6.7995  322.739    80.585   229.907    95.188   557.600    151.405  41.072  9.7054  64.370  10.020  -23.29794      13.94957 
1 1 1 -16 26  14 o 118.626 6.0939  1772.08    174.811  1802.44    219.484  1719.41    289.091  118.380 7.6827  112.683 10.702  5.696335       13.17391 
1 1 1 -16 26  15 o 88.637  6.0113  991.788    128.520  916.933    153.437  1167.78    235.269  84.250  7.5872  92.553  10.672  -8.302551      13.09410 
1 1 1 -16 26  16 o 76.543  4.7429  730.143    87.653   629.483    132.133  809.252    117.137  69.378  7.9955  79.929  6.0856  -10.55080      10.04803 
1 1 1 -16 26  17 o 29.847  7.9556  119.567    58.662   62.549     84.583   172.412    81.429   25.026  9.7204  35.405  9.3428  -10.37913      13.48236 
1 1 1 -16 26  18 o 23.140  8.2663  62.901     58.690   16.040     86.540   102.809    79.862   21.881  9.3092  28.242  9.6755  -6.361361      13.42673 
1 1 1 -16 26  19 o 67.699  5.0252  575.044    81.958   535.646    117.079  612.902    114.767  63.935  7.7021  68.889  6.9615  -4.954056      10.38196 
1 1 1 -16 26  20 o 79.542  4.8865  792.130    93.853   730.533    125.807  869.430    140.934  75.182  6.9759  81.932  7.1612  -6.749565      9.997324 
1 1 1 -16 26  21 o 57.003  7.4137  426.534    100.114  529.137    187.733  385.759    118.347  58.974  13.421  52.888  9.5746  6.086086       16.48638 
1 1 1 -16 26  22 o 54.900  7.9184  401.445    102.431  115.029    187.892  522.564    122.185  33.236  13.905  62.516  8.2570  -29.28030      16.17183 
1 1 1 -16 26  23 o 66.338  7.1747  576.923    113.647  362.135    216.914  658.190    133.425  45.910  15.934  70.313  7.9608  -24.40299      17.81195 
1 1 1 -16 26  24 o 48.559  6.4329  307.699    73.929   230.633    100.003  400.574    109.782  39.878  10.272  54.096  8.6556  -14.21732      13.43267 
1 1 1 -16 26  25 o 27.089  8.6379  100.322    64.011   138.747    90.236   61.401     90.816   31.184  10.280  24.790  9.9329  6.394426       14.29499 
1 1 1 -16 26  26 o 30.422  8.5135  130.303    65.320   244.441    98.424   40.464     87.322   40.849  10.009  22.954  9.5307  17.89510       13.82059 
1 1 1 -16 26  27 o 72.104  5.4160  667.430    94.063   800.611    134.522  540.016    131.577  77.384  7.2489  61.938  9.0200  15.44596       11.57177 
1 1 1 -16 26  28 o 9.0349  4.5427  -129.6287  44.690   -155.6167  78.149   -117.0005  54.476   13.287  6.5712  10.993  5.4455  2.294025       8.534261 
1 1 1 -16 26  29 o 19.080  7.9235  24.966     60.370   -38.2412   93.482   70.184     79.068   18.963  8.7440  24.206  9.3992  -5.243040      12.83751 
1 1 1 -16 26  30 o 11.984  5.8862  -106.6511  59.165   -193.2394  85.751   -27.9771   81.738   13.263  6.6133  18.100  8.2833  -4.836665      10.59943 
1 1 1 -16 26  31 o 16.581  7.3880  -7.9867    60.130   57.887     84.533   -75.4545   85.549   23.359  9.5031  16.501  7.8441  6.858068       12.32223 
1 1 1 -16 26  32 o 34.834  8.3756  176.480    69.921   101.915    98.736   251.492    99.031   27.121  10.511  40.294  10.138  -13.17371      14.60324 
1 1 1 -16 26  33 o 14.617  7.0725  -99.0250   76.846   -122.2636  84.995   5.0352     179.858  14.889  7.2580  26.156  12.084  -11.26670      14.09651 
1 1 1 -16 26  34 o 36.092  11.325  213.943    110.415  213.943    110.415  0.0000     0.0000   36.092  11.325  ?       ?       0.000000       11.32531 
1 1 1 -16 26  35 o 17.353  7.6854  -3.2647    64.097   -61.5416   85.896   69.963     96.286   17.043  8.0288  24.801  10.122  -7.758316      12.91951 
1 1 1 -16 26  36 o 33.864  8.8657  170.737    73.703   110.985    102.285  235.264    106.294  27.785  10.718  38.109  10.929  -10.32377      15.30704 
1 1 1 -16 26  37 o 31.563  14.503  137.840    254.083  137.840    254.083  0.0000     0.0000   31.563  14.503  ?       ?       0.000000       14.50294 
1 1 1 -16 26  38 o 23.508  9.7029  62.327     89.732   -13.0636   267.715  71.869     95.242   27.900  13.425  24.406  10.026  3.494553       16.75592 
1 1 1 -16 27  1  o 123.218 4.2203  1860.76    126.177  1759.20    174.785  1971.28    182.337  119.022 6.0724  126.194 5.9548  -7.172607      8.504953 
1 1 1 -16 27  2  o 89.098  4.0780  972.614    88.162   1012.71    122.179  929.057    127.340  90.362  5.6001  86.352  6.1172  4.009903       8.293382 
1 1 1 -16 27  3  o 54.505  4.5381  367.425    59.472   368.251    80.763   366.445    87.901   54.106  6.2679  53.774  6.8957  0.3314438      9.318656 
1 1 1 -16 27  4  o 79.409  5.0234  780.448    96.293   819.750    111.138  662.103    192.853  81.172  5.6785  70.106  11.753  11.06684       13.05317 
1 1 1 -16 27  5  o 18.063  6.7136  32.151     39.267   11.135     52.886   57.968     58.618   17.768  7.4005  22.943  8.2542  -5.175106      11.08602 
1 1 1 -16 27  6  o 35.585  5.9084  161.308    49.226   157.762    68.626   165.066    70.650   34.570  8.2887  35.349  8.3669  -0.7791100     11.77743 
1 1 1 -16 27  7  o 30.064  6.4546  117.115    45.677   94.879     63.902   140.345    65.315   27.264  8.6238  32.576  8.2534  -5.311926      11.93689 
1 1 1 -16 27  8  o 68.480  4.2759  579.313    70.693   591.429    99.401   566.914    100.559  68.598  6.0333  67.065  6.2516  1.532433       8.688137 
1 1 1 -16 27  9  o 27.633  6.7114  99.781     44.552   99.914     61.177   99.632     65.009   27.696  8.3842  27.755  8.6869  -0.5954361E-01 12.07298 
1 1 1 -16 27  10 o 67.582  4.3664  565.625    71.217   580.023    99.230   550.330    102.271  67.797  6.0974  65.861  6.4837  1.935532       8.900370 
1 1 1 -16 27  11 o 100.436 5.8969  1267.15    143.076  1246.88    176.411  1306.10    244.576  98.652  7.4243  98.568  10.382  0.8424377E-01  12.76375 
1 1 1 -16 27  12 o 38.039  7.7149  191.447    68.771   158.972    79.016   292.891    139.655  34.190  9.2849  45.044  12.390  -10.85474      15.48313 
1 1 1 -16 27  13 o 103.044 5.8900  1337.69    146.655  1291.89    182.351  1421.58    246.770  100.071 7.5658  102.762 10.024  -2.690575      12.55913 
1 1 1 -16 27  14 o 71.928  5.9802  655.513    103.424  567.805    123.758  858.610    188.323  65.882  7.8993  79.596  9.9697  -13.71404      12.71983 
1 1 1 -16 27  15 o 18.170  7.0025  30.109     43.630   -2.4879    56.649   77.640     68.405   17.032  7.3916  25.275  8.9354  -8.242640      11.59645 
1 1 1 -16 27  16 o 48.052  5.9120  295.076    67.476   335.775    95.926   255.213    94.934   50.243  8.1477  43.088  9.3491  7.155174       12.40122 
1 1 1 -16 27  17 o 45.185  6.2657  263.233    66.847   245.650    94.533   280.819    94.539   42.144  9.4748  45.442  8.8926  -3.298149      12.99422 
1 1 1 -16 27  18 o 62.971  5.2613  500.195    79.653   478.725    111.660  522.440    113.658  60.246  7.8231  63.123  7.5719  -2.876644      10.88733 
1 1 1 -16 27  19 o 62.451  5.1932  492.088    77.980   438.768    110.169  545.624    110.392  57.387  8.1400  64.712  7.1500  -7.324959      10.83434 
1 1 1 -16 27  20 o 35.751  9.3290  178.755    81.783   242.465    162.242  157.052    94.694   39.776  13.782  33.349  10.492  6.426640       17.32099 
1 1 1 -16 27  21 o 60.146  7.5056  478.160    107.152  435.592    193.985  496.851    128.542  51.521  14.760  60.242  9.0755  -8.721344      17.32720 
1 1 1 -16 27  22 o 49.166  8.2843  328.561    95.316   154.270    191.491  385.966    109.897  34.644  14.222  52.981  8.8618  -18.33671      16.75708 
1 1 1 -16 27  23 o 11.913  5.7873  -83.6165   52.765   -2.3862    77.800   -152.8044  71.802   19.460  8.5490  12.634  6.2574  6.825489       10.59433 
1 1 1 -16 27  24 o 15.645  6.9770  -12.8358   53.751   18.459     75.241   -45.4547   76.816   20.412  8.6823  17.018  7.8750  3.394104       11.72170 
1 1 1 -16 27  25 o 55.450  5.8831  399.517    77.945   365.224    108.888  435.557    111.625  50.715  9.1869  56.059  8.4706  -5.343327      12.49602 
1 1 1 -16 27  26 o 61.884  5.6658  496.232    84.131   516.276    118.497  475.857    119.468  61.117  8.1973  58.191  8.7306  2.925682       11.97576 
1 1 1 -16 27  27 o 15.378  6.9512  -18.5615   55.393   0.7005     85.663   -32.4032   72.617   20.091  8.8919  16.920  7.7668  3.170471       11.80630 
1 1 1 -16 27  28 f 15.770  7.1390  -18.8950   58.675   -10.6357   93.034   -24.3499   75.608   20.104  9.0553  17.610  8.0232  2.494446       12.09836 
1 1 1 -16 27  29 o 18.692  7.8891  20.297     61.332   -50.4461   98.620   64.913     78.319   18.821  8.7815  23.528  9.2898  -4.707331      12.78340 
1 1 1 -16 27  30 o 23.822  8.6400  76.271     64.399   88.079     96.494   66.787     86.475   25.999  10.297  24.024  9.6691  1.974335       14.12495 
1 1 1 -16 27  31 o 18.691  8.3818  -7.2252    78.731   -51.1069   85.396   241.411    203.272  17.351  8.1203  35.269  14.584  -17.91840      16.69243 
1 1 1 -16 27  32 o 20.237  8.7810  17.871     79.918   2.9989     86.423   105.649    209.962  19.976  8.8817  30.147  13.589  -10.17164      16.23404 
1 1 1 -16 27  33 o 15.494  7.3010  -55.4732   71.104   -5.0809    76.817   -356.9457  187.888  18.621  8.3197  19.157  9.5879  -0.5365105     12.69430 
1 1 1 -16 27  34 o 9.6183  4.8267  -133.8132  49.166   -146.9360  75.639   -124.2123  64.698   13.052  6.4568  12.211  6.0278  0.8414688      8.833157 
1 1 1 -16 27  35 o 15.362  7.0871  -30.9643   61.526   -74.1871   77.960   40.415     100.185  15.568  7.4250  23.040  9.9142  -7.471775      12.38634 
1 1 1 -16 27  36 o 27.959  13.373  -9.3577    256.636  -9.3577    256.636  0.0000     0.0000   27.959  13.373  ?       ?       0.000000       13.37265 
1 1 1 -16 27  37 o 42.163  11.604  308.056    122.463  419.217    289.971  283.924    135.103  38.166  16.642  39.043  12.560  -0.8777313     20.84925 
1 1 1 -16 28  1  o 30.376  6.4600  119.200    46.148   105.162    62.290   136.278    68.706   28.485  8.4235  32.153  8.6273  -3.668192      12.05758 
1 1 1 -16 28  2  o 38.227  5.5065  184.494    49.601   187.867    66.132   180.156    74.994   38.029  7.4333  36.920  8.5411  1.109028       11.32275 
1 1 1 -16 28  3  o 45.928  4.9952  263.448    54.769   191.349    75.156   345.100    79.980   38.083  8.3624  52.190  6.4533  -14.10771      10.56287 
1 1 1 -16 28  4  o 86.462  4.1656  918.896    87.392   844.504    120.290  1002.05    127.178  82.081  6.0831  89.534  5.8869  -7.452797      8.465251 
1 1 1 -16 28  5  o 90.803  4.1153  1013.76    90.671   1027.03    126.698  999.826    129.816  90.639  5.7911  89.318  6.0252  1.321663       8.357064 
1 1 1 -16 28  6  o 10.909  5.1087  -32.9008   33.887   -50.1535   44.890   -10.0443   51.668   12.155  5.7497  15.846  6.9640  -3.691543      9.030900 
1 1 1 -16 28  7  o 52.513  4.6943  343.507    59.182   310.890    82.616   377.888    84.821   49.102  7.1438  54.457  6.5507  -5.355343      9.692541 
1 1 1 -16 28  8  o 39.966  5.3433  202.038    50.519   170.810    69.695   236.612    73.333   35.792  8.2010  42.600  7.3608  -6.808445      11.01986 
1 1 1 -16 28  9  o 50.573  6.6485  328.148    79.608   406.826    93.017   112.739    153.910  56.252  6.9637  32.695  12.987  23.55730       14.73589 
1 1 1 -16 28  10 o 44.327  7.3503  256.773    76.287   264.177    89.236   236.669    147.040  44.435  8.5874  40.484  13.111  3.950790       15.67302 
1 1 1 -16 28  11 o 18.739  7.5778  23.511     53.390   16.741     59.400   51.974     121.803  18.912  7.8572  27.152  11.264  -8.240297      13.73328 
1 1 1 -16 28  12 o 102.309 6.0522  1324.56    149.573  1427.77    184.744  1128.17    254.830  105.280 7.2766  89.170  12.090  16.11060       14.11062 
1 1 1 -16 28  13 o 23.722  7.3584  72.885     46.764   70.221     61.150   76.636     72.576   24.071  8.4541  25.390  9.1777  -1.318178      12.47812 
1 1 1 -16 28  14 o 26.628  8.2441  93.793     58.730   80.864     85.143   105.527    81.115   26.464  9.8761  28.489  9.7512  -2.024710      13.87882 
1 1 1 -16 28  15 o 19.730  7.6705  35.570     52.707   53.480     80.443   22.098     69.768   23.871  9.4182  20.449  8.5072  3.422592       12.69151 
1 1 1 -16 28  16 o 40.571  6.6047  214.831    62.780   200.401    90.138   228.427    87.490   37.799  9.7603  40.712  9.0870  -2.913395      13.33556 
1 1 1 -16 28  17 o 49.968  5.7893  319.362    68.890   317.643    98.099   321.035    96.765   48.371  8.6771  48.740  8.4908  -0.3688545     12.14021 
1 1 1 -16 28  18 o 84.786  5.8137  914.506    118.879  880.132    231.280  926.849    138.589  76.811  12.864  84.644  6.8054  -7.833214      14.55346 
1 1 1 -16 28  19 o 52.487  7.8285  368.051    96.651   468.574    189.762  332.839    112.310  54.015  14.267  48.611  9.8592  5.404095       17.34180 
1 1 1 -16 28  20 o 19.331  8.3918  3.1001     73.056   38.017     146.596  -8.4369    84.266   27.368  11.884  19.916  8.8167  7.452080       14.79741 
1 1 1 -16 28  21 o 51.527  6.1173  344.439    74.987   302.862    97.606   404.326    117.144  46.629  8.9523  53.772  9.3160  -7.142155      12.92021 
1 1 1 -16 28  22 o 11.172  5.4857  -96.6545   51.259   -26.2628   75.165   -157.8497  70.083   17.765  8.0574  12.246  6.0853  5.518429       10.09719 
1 1 1 -16 28  23 o 12.293  5.8583  -55.7719   48.319   -69.9332   68.734   -41.9357   67.940   14.837  7.0465  15.979  7.3984  -1.142651      10.21711 
1 1 1 -16 28  24 o 29.773  8.1637  125.119    60.741   104.270    86.740   145.180    85.085   27.612  10.025  31.396  9.9532  -3.783661      14.12711 
1 1 1 -16 28  25 o 9.0247  4.5349  -126.4253  44.181   -143.4275  64.194   -111.1236  60.899   11.706  5.8179  12.146  5.9673  -0.4409504     8.334041 
1 1 1 -16 28  26 o 19.736  8.0383  33.114     60.571   -44.0882   94.895   86.193     78.685   18.820  8.7241  25.484  9.4973  -6.664707      12.89608 
1 1 1 -16 28  27 o 24.362  8.5906  81.057     63.188   74.346     93.883   86.615     85.436   25.053  10.078  25.612  9.8169  -0.5587654     14.06886 
1 1 1 -16 28  28 o 21.052  8.4002  46.508     64.664   29.738     96.506   60.172     87.110   22.291  9.6609  23.574  9.6251  -1.282600      13.63723 
1 1 1 -16 28  29 o 24.366  8.9533  80.945     69.478   157.309    106.785  24.887     91.491   31.214  11.150  21.567  9.3767  9.647470       14.56880 
1 1 1 -16 28  30 o 31.017  11.457  156.649    113.996  73.277     124.315  597.229    285.776  26.035  11.119  47.035  17.972  -20.99995      21.13333 
1 1 1 -16 28  31 o 27.687  10.107  114.387    88.333   150.777    97.102   -60.2275   212.707  30.760  10.662  25.602  12.226  5.158453       16.22150 
1 1 1 -16 28  32 o 16.322  7.6153  -44.3516   74.161   -32.7059   79.468   -122.9086  206.396  17.461  8.0552  24.031  11.618  -6.570047      14.13770 
1 1 1 -16 28  33 o 18.849  7.7297  29.703     56.489   62.794     79.734   -3.6422    80.041   23.246  9.3097  18.967  8.4822  4.279097       12.59434 
1 1 1 -16 28  34 o 20.027  8.2877  34.461     65.713   -11.0561   82.353   114.240    109.027  18.755  8.4769  27.871  10.975  -9.115633      13.86717 
1 1 1 -16 28  35 o 43.540  17.984  584.802    308.602  584.802    308.602  0.0000     0.0000   43.540  17.984  ?       ?       0.000000       17.98418 
1 1 1 -16 28  36 o 32.218  11.732  185.626    118.919  126.328    275.316  199.227    131.853  30.207  14.274  32.779  12.279  -2.571415      18.82862 
1 1 1 -16 29  1  o 70.929  4.2242  621.071    72.370   573.335    99.522   674.638    105.426  67.490  6.1447  73.318  5.9782  -5.828331      8.572999 
1 1 1 -16 29  2  o 37.313  5.6555  176.906    49.599   121.344    65.815   249.939    75.456   30.279  8.5712  43.915  7.3404  -13.63637      11.28485 
1 1 1 -16 29  3  o 98.039  4.1507  1183.14    98.737   1219.41    137.022  1143.97    142.403  98.728  5.7447  95.386  6.1861  3.341782       8.442149 
1 1 1 -16 29  4  o 84.499  4.1327  879.279    84.731   840.377    117.291  921.738    122.536  81.764  5.9530  85.659  5.9321  -3.895172      8.404054 
1 1 1 -16 29  5  o 31.031  6.4310  125.333    46.831   237.823    64.175   -2.8142    68.495   43.085  6.3271  18.740  8.1302  24.34560       10.30208 
1 1 1 -16 29  6  o 33.615  6.1509  146.026    48.321   170.987    67.642   120.013    69.051   35.833  7.9840  29.994  8.8686  5.839054       11.93302 
1 1 1 -16 29  7  o 15.753  6.8662  -5.3375    49.319   -8.2254    54.612   7.4305     114.832  16.369  7.1776  24.260  10.526  -7.891090      12.74046 
1 1 1 -16 29  8  o 70.968  6.1407  639.086    104.701  635.815    124.715  646.893    192.699  70.076  7.4490  67.341  12.244  2.735001       14.33216 
1 1 1 -16 29  9  o 32.343  8.4748  141.636    67.309   122.239    77.603   200.546    135.240  30.176  9.4988  37.547  12.592  -7.371365      15.77307 
1 1 1 -16 29  10 f 74.128  6.0543  698.052    107.946  753.748    129.199  569.288    196.447  76.453  7.0439  61.705  13.496  14.74796       15.22405 
1 1 1 -16 29  11 o 69.892  4.3510  607.827    73.421   641.294    102.731  572.884    104.973  71.004  6.0195  66.796  6.5615  4.208054       8.904385 
1 1 1 -16 29  12 o 29.995  7.6493  121.038    55.845   -22.4310   82.946   239.994    75.528   19.206  8.6087  42.512  7.6010  -23.30558      11.48415 
1 1 1 -16 29  13 o 91.432  4.5427  1039.91    100.780  1028.65    141.881  1051.37    143.176  89.531  6.5772  90.530  6.5625  -0.9988098     9.291175 
1 1 1 -16 29  14 o 63.005  5.1650  500.685    78.266   558.048    110.703  443.359    110.667  65.484  7.0799  57.683  8.1326  7.800781       10.78258 
1 1 1 -16 29  15 o 49.433  5.8181  313.032    68.450   398.614    98.865   234.236    94.864   54.894  7.6288  40.817  9.7181  14.07647       12.35480 
1 1 1 -16 29  16 o 67.393  5.0732  572.794    82.350   626.586    115.228  516.637    117.734  69.395  6.9362  62.295  7.9719  7.099350       10.56703 
1 1 1 -16 29  17 f 74.271  6.8799  717.959    122.576  610.409    219.907  766.436    147.639  61.161  14.945  75.740  8.1625  -14.57889      17.02903 
1 1 1 -16 29  18 o 39.899  9.0836  223.037    85.967   321.505    175.587  191.992    98.592   44.227  14.328  36.307  10.558  7.920021       17.79782 
1 1 1 -16 29  19 o 25.712  9.2955  83.507     74.454   94.709     153.190  80.043     85.193   30.220  12.592  25.942  9.8363  4.278191       15.97838 
1 1 1 -16 29  20 o 34.437  7.8104  163.288    63.760   203.289    95.784   131.460    85.441   37.158  10.278  30.415  10.002  6.742920       14.34144 
1 1 1 -16 29  21 o 35.793  7.3089  174.609    61.329   203.898    84.640   142.235    88.988   37.590  9.3249  31.272  10.204  6.317949       13.82309 
1 1 1 -16 29  22 o 29.308  8.3159  121.408    61.876   130.057    87.600   112.796    87.412   29.962  10.134  28.397  10.094  1.564892       14.30354 
1 1 1 -16 29  23 o 28.426  8.1456  114.425    59.071   64.555     82.093   167.970    85.064   24.025  9.5030  33.521  9.8241  -9.496174      13.66823 
1 1 1 -16 29  24 o 29.474  8.5123  125.417    64.283   165.863    91.331   85.709     90.493   32.900  10.296  25.927  10.059  6.973038       14.39419 
1 1 1 -16 29  25 o 58.274  5.7986  446.127    80.902   414.129    111.614  481.548    117.432  53.525  8.9070  58.087  8.5910  -4.561554      12.37500 
1 1 1 -16 29  26 o 27.076  9.0811  107.136    70.336   220.419    105.901  17.724     94.085   36.810  11.006  21.455  9.4139  15.35479       14.48291 
1 1 1 -16 29  27 o 46.568  7.1081  299.863    77.771   226.325    112.333  367.559    107.779  36.715  11.407  49.628  9.2919  -12.91304      14.71284 
1 1 1 -16 29  28 o 56.581  6.2586  430.419    84.484   527.593    120.153  335.396    118.815  60.472  8.4170  45.534  10.899  14.93846       13.77088 
1 1 1 -16 29  29 o 21.865  9.7462  14.146     104.753  -28.8752   113.571  259.350    271.137  20.698  9.5768  34.722  15.564  -14.02440      18.27413 
1 1 1 -16 29  30 o 18.869  8.7000  -29.4179   92.511   -8.1043    97.327   -228.9347  297.780  20.247  9.1776  25.805  12.774  -5.557325      15.72873 
1 1 1 -16 29  31 o 47.704  6.8547  312.751    77.063   300.094    111.019  324.522    107.057  43.230  10.653  45.828  9.9157  -2.598030      14.55339 
1 1 1 -16 29  32 o 28.157  8.5292  117.673    63.296   188.621    88.549   43.547     90.510   34.515  9.9971  22.484  9.5417  12.03086       13.81978 
1 1 1 -16 29  33 o 20.947  8.4159  47.028     65.387   85.810     82.182   -19.8743   107.940  24.982  9.6153  20.533  9.4415  4.448851       13.47574 
1 1 1 -16 29  34 o 24.648  12.074  -142.9019  243.782  -142.9019  243.782  0.0000     0.0000   24.648  12.074  ?       ?       0.000000       12.07435 
1 1 1 -16 29  35 o 39.583  17.157  523.815    304.440  523.815    304.440  0.0000     0.0000   39.583  17.157  ?       ?       0.000000       17.15676 
1 1 1 -16 30  1  o 45.160  5.0669  256.181    54.564   280.930    73.365   225.544    81.627   46.772  6.6520  41.140  8.4596  5.631641       10.76171 
1 1 1 -16 30  2  o 110.528 4.2014  1506.90    112.677  1422.42    156.321  1598.26    162.560  106.274 6.0875  112.752 5.9631  -6.477989      8.521487 
1 1 1 -16 30  3  o 36.523  5.9627  171.309    51.018   112.711    68.927   242.314    75.874   29.153  8.9156  42.975  7.5519  -13.82239      11.68411 
1 1 1 -16 30  4  o 14.369  6.2433  -3.9853    40.512   -21.0700   51.353   24.169     65.923   14.968  6.7360  20.310  8.3419  -5.341899      10.72199 
1 1 1 -16 30  5  o 19.816  7.7997  32.970     55.048   87.429     62.196   -163.9399  118.266  26.085  8.5318  18.179  8.7907  7.905542       12.25021 
1 1 1 -16 30  6  o 14.702  6.6726  -25.5723   51.649   -36.5085   57.950   16.678     113.902  15.080  6.9282  24.528  10.563  -9.447207      12.63218 
1 1 1 -16 30  7  o 71.285  6.0108  645.502    102.997  596.199    122.891  761.889    188.813  67.580  7.6279  74.038  10.830  -6.458336      13.24703 
1 1 1 -16 30  8  o 33.011  8.1961  147.696    65.347   107.198    74.253   286.800    137.614  28.459  9.3228  44.020  12.371  -15.56067      15.49020 
1 1 1 -16 30  9  o 71.835  4.7200  645.306    81.812   649.781    126.329  642.073    107.369  70.527  7.4971  70.833  6.3132  -0.3059998     9.801189 
1 1 1 -16 30  10 o 55.743  5.0663  391.787    67.777   369.566    102.624  408.978    90.264   52.507  8.3334  56.165  6.7592  -3.657993      10.72993 
1 1 1 -16 30  11 o 48.096  5.8575  296.498    66.946   413.080    100.022  201.887    90.105   55.972  7.5581  37.884  9.7463  18.08791       12.33344 
1 1 1 -16 30  12 o 55.677  5.4290  393.632    72.410   418.475    107.965  373.320    97.622   55.917  8.2012  52.982  7.8297  2.935173       11.33861 
1 1 1 -16 30  13 o 37.078  6.8423  181.708    59.289   106.090    88.350   243.660    79.969   28.574  10.149  42.479  8.0534  -13.90437      12.95619 
1 1 1 -16 30  14 o 22.143  8.1384  56.046     57.410   97.984     84.461   20.029     78.272   27.657  9.9126  21.073  8.9041  6.584295       13.32453 
1 1 1 -16 30  15 o 79.947  6.5072  826.187    125.133  694.654    219.335  889.658    152.362  66.349  14.061  81.948  7.7548  -15.59828      16.05761 
1 1 1 -16 30  16 o 16.223  7.4189  -32.8468   65.404   79.251     147.999  -60.0519   72.910   29.342  12.313  15.950  7.4772  13.39176       14.40513 
1 1 1 -16 30  17 o 22.923  8.9198  54.738     71.323   -67.4249   157.497  86.255     79.996   23.995  11.163  26.200  9.6102  -2.205452      14.72950 
1 1 1 -16 30  18 o 33.070  8.1582  152.208    65.057   285.512    91.057   13.210     92.981   45.331  8.5929  21.833  9.4725  23.49854       12.78929 
1 1 1 -16 30  19 o 21.445  8.0479  52.293     56.695   53.247     85.053   51.531     76.057   23.629  9.5614  22.838  9.1110  0.7909508      13.20721 
1 1 1 -16 30  20 o 22.101  8.2891  57.199     60.125   86.198     90.981   34.716     80.112   26.310  10.119  21.820  9.1000  4.489708       13.60935 
1 1 1 -16 30  21 o 57.605  5.7184  431.770    78.872   409.538    107.409  457.785    116.191  54.034  8.4708  56.991  8.6762  -2.956947      12.12569 
1 1 1 -16 30  22 o 45.152  6.4882  272.937    69.040   379.857    92.502   138.474    103.735  52.651  7.4485  30.365  10.973  22.28612       13.26227 
1 1 1 -16 30  23 o 29.664  8.3142  127.364    62.248   121.561    89.339   132.840    86.780   28.679  10.204  29.696  10.086  -1.016956      14.34740 
1 1 1 -16 30  24 o 64.668  5.4648  545.898    84.946   588.710    115.796  496.013    124.996  65.287  7.4428  58.162  9.1602  7.124924       11.80270 
1 1 1 -16 30  25 o 23.260  8.5287  72.207     62.996   6.5265     91.866   130.508    86.551   20.572  9.1514  29.114  10.067  -8.542299      13.60509 
1 1 1 -16 30  26 o 41.271  7.6359  242.016    73.649   281.201    107.047  206.797    101.487  41.821  10.550  35.409  10.817  6.412151       15.10957 
1 1 1 -16 30  27 o 22.166  8.5104  61.587     64.274   53.384     96.720   68.073     86.014   23.376  9.8887  23.783  9.6181  -0.4068909     13.79473 
1 1 1 -16 30  28 o 25.867  10.657  86.462     107.987  121.673    117.270  -109.9159  276.944  28.290  11.304  26.587  12.991  1.703053       17.22084 
1 1 1 -16 30  29 o 18.138  8.4923  -48.2405   93.563   -67.2513   98.460   128.731    300.409  17.912  8.4858  31.348  14.842  -13.43528      17.09685 
1 1 1 -16 30  30 o 38.230  8.4245  215.537    76.040   235.141    107.045  195.568    108.035  37.507  11.029  33.971  11.251  3.536240       15.75482 
1 1 1 -16 30  31 o 15.634  7.1332  -20.7381   60.026   29.916     92.396   -57.7301   78.958   21.707  9.4302  16.218  7.6578  5.488735       12.14791 
1 1 1 -16 30  32 o 21.347  8.6720  48.957     70.267   85.305     88.958   -11.3488   114.583  25.026  9.8945  21.258  9.7574  3.768154       13.89628 
1 1 1 -16 30  33 o 32.695  14.862  235.320    257.544  235.320    257.544  0.0000     0.0000   32.695  14.862  ?       ?       0.000000       14.86211 
1 1 1 -16 30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -16 31  1  o 34.066  6.3313  150.864    50.407   134.830    66.605   172.360    77.119   31.595  8.5013  35.563  8.9455  -3.967243      12.34073 
1 1 1 -16 31  2  o 97.612  5.9327  1203.90    139.848  1142.76    170.856  1328.02    243.429  93.941  7.5597  98.738  10.313  -4.797508      12.78685 
1 1 1 -16 31  3  f 32.444  8.0460  141.907    63.030   156.268    71.755   93.393     131.885  33.864  8.6895  30.071  11.997  3.793833       14.81351 
1 1 1 -16 31  4  o 38.978  7.8539  203.159    71.713   100.659    83.134   501.220    141.766  28.129  9.8586  60.344  10.035  -32.21489      14.06713 
1 1 1 -16 31  5  o 119.308 6.2105  1809.84    179.167  1824.83    224.588  1783.59    297.136  118.178 7.8774  113.172 10.958  5.006668       13.49548 
1 1 1 -16 31  6  o 121.194 6.1858  1869.03    181.297  1828.01    226.545  1942.09    302.342  118.083 7.9531  118.343 10.643  -0.2601395     13.28624 
1 1 1 -16 31  7  o 40.981  5.4147  214.419    52.524   198.736    71.629   232.660    77.250   38.395  7.9503  41.627  7.9379  -3.231976      11.23463 
1 1 1 -16 31  8  o 66.607  4.6258  555.410    74.296   527.400    107.765  580.784    102.568  63.592  7.1056  67.214  6.3650  -3.622051      9.539542 
1 1 1 -16 31  9  o 45.942  5.9626  271.748    64.901   309.182    94.728   238.631    89.098   47.751  8.4867  41.504  9.0983  6.246899       12.44198 
1 1 1 -16 31  10 o 17.690  7.3373  15.877     51.677   86.942     80.771   -33.3724   67.240   26.547  9.6689  16.519  7.5419  10.02802       12.26243 
1 1 1 -16 31  11 o 52.355  5.5021  349.570    68.850   296.463    102.229  393.656    93.143   46.073  9.4613  54.697  7.1926  -8.623672      11.88483 
1 1 1 -16 31  12 o 29.465  7.8789  118.498    57.420   2.9480     90.352   196.783    74.369   21.225  9.2714  37.863  8.3218  -16.63801      12.45840 
1 1 1 -16 31  13 o 26.250  8.9033  90.714     67.617   92.035     144.355  90.343     76.531   29.878  12.316  26.538  9.4438  3.339785       15.52034 
1 1 1 -16 31  14 o 23.429  8.6850  64.305     65.627   69.253     143.307  62.991     73.822   28.535  12.052  23.851  9.1292  4.683880       15.11937 
1 1 1 -16 31  15 o 63.690  6.9189  533.807    105.204  651.551    193.123  484.120    125.453  65.021  12.697  59.071  9.0404  5.950310       15.58624 
1 1 1 -16 31  16 o 44.706  8.5842  278.104    89.732   248.575    180.142  287.848    103.484  38.717  14.382  44.649  9.8191  -5.932465      17.41407 
1 1 1 -16 31  17 f 65.572  5.1740  548.910    81.652   572.407    115.075  525.085    115.877  65.348  7.3871  62.192  7.8540  3.156055       10.78215 
1 1 1 -16 31  18 o 21.446  8.0955  52.513     57.542   51.970     86.187   52.949     77.292   23.489  9.5802  22.926  9.1715  0.5625916      13.26267 
1 1 1 -16 31  19 o 66.367  5.3186  567.120    84.929   628.914    121.761  508.571    118.521  68.052  7.4985  60.439  8.3011  7.613045       11.18640 
1 1 1 -16 31  20 o 64.082  5.4103  531.700    83.338   619.080    118.154  445.191    117.564  67.475  7.3349  55.668  9.0117  11.80727       11.61945 
1 1 1 -16 31  21 o 16.855  7.3233  4.0221     55.734   34.160     78.058   -27.3196   79.603   21.283  8.9369  17.875  8.1781  3.408035       12.11399 
1 1 1 -16 31  22 o 26.627  8.7373  102.698    65.210   231.815    93.402   -20.0904   91.084   38.796  9.8918  19.313  8.8020  19.48302       13.24096 
1 1 1 -16 31  23 o 36.553  7.3370  188.093    62.812   85.902     91.301   279.922    86.549   25.484  10.040  43.891  8.4332  -18.40726      13.11206 
1 1 1 -16 31  24 o 15.720  6.9814  -5.1317    53.250   12.475     84.582   -16.6927   68.538   20.163  8.8842  16.936  7.6863  3.227592       11.74773 
1 1 1 -16 31  25 o 20.439  7.8101  50.266     53.973   5.0824     81.506   85.553     72.029   19.416  8.6294  24.629  9.1049  -5.212942      12.54452 
1 1 1 -16 31  26 f 28.838  10.999  133.052    106.920  151.632    113.455  -14.4355   319.658  30.149  11.371  28.866  14.072  1.282398       18.09206 
1 1 1 -16 31  27 o 23.249  10.115  43.760     106.617  76.224     113.993  -183.0169  301.284  25.347  10.730  26.045  12.885  -0.6981125     16.76741 
1 1 1 -16 31  28 o 24.466  10.274  68.352     103.164  31.926     109.489  356.576    307.986  22.836  10.083  36.156  16.363  -13.31967      19.21981 
1 1 1 -16 31  29 o 27.793  8.7519  116.603    65.873   148.797    105.128  95.791     84.524   30.061  11.018  25.767  9.7910  4.293949       14.73995 
1 1 1 -16 31  30 o 22.361  8.7601  62.214     69.147   -6.6999    104.738  115.458    92.062   20.710  9.4387  27.400  10.261  -6.690149      13.94179 
1 1 1 -16 31  31 o 23.231  9.5096  64.432     85.308   -71.5531   251.179  82.163     90.699   25.913  12.597  24.705  9.9167  1.208342       16.03201 
1 1 1 -16 31  32 o 22.979  11.364  -195.1970  233.694  -195.1970  233.694  0.0000     0.0000   22.979  11.364  ?       ?       0.000000       11.36444 
1 1 1 -16 31  33 o 27.047  13.056  38.661     258.263  38.661     258.263  0.0000     0.0000   27.047  13.056  ?       ?       0.000000       13.05647 
1 1 1 -16 32  1  o 41.397  7.6111  227.852    73.634   288.848    84.506   35.495     150.070  46.668  7.7336  27.996  12.090  18.67248       14.35197 
1 1 1 -16 32  2  o 38.548  7.9981  200.187    72.357   165.673    82.863   310.990    148.470  34.475  9.5680  45.344  12.887  -10.86916      16.05043 
1 1 1 -16 32  3  o 48.481  6.8105  306.398    77.905   312.578    90.388   288.544    153.630  48.382  7.9776  43.367  13.318  5.015556       15.52492 
1 1 1 -16 32  4  o 108.656 6.1470  1505.61    161.396  1588.75    200.066  1350.68    273.118  110.312 7.5194  96.800  11.877  13.51119       14.05745 
1 1 1 -16 32  5  o 44.314  5.3139  250.125    55.998   207.052    76.718   299.243    81.924   38.950  8.3670  47.584  7.3310  -8.633320      11.12433 
1 1 1 -16 32  6  o 23.549  8.0676  69.727     55.524   62.250     80.948   76.370     76.304   24.458  9.5066  25.361  9.3721  -0.9031544     13.34958 
1 1 1 -16 32  7  o 39.783  6.9240  209.248    64.409   244.720    90.583   172.975    91.601   41.932  9.1594  34.809  10.193  7.122700       13.70343 
1 1 1 -16 32  8  o 20.635  7.9422  42.483     56.071   55.703     83.763   31.749     75.475   24.096  9.5776  21.596  8.9045  2.500874       13.07747 
1 1 1 -16 32  9  o 49.428  5.8619  314.450    68.934   361.244    99.542   271.330    95.555   51.701  8.2094  44.085  9.2292  7.616009       12.35201 
1 1 1 -16 32  10 o 23.338  7.9360  69.358     53.724   74.169     81.915   65.726     71.169   25.369  9.6390  23.967  9.0126  1.401436       13.19604 
1 1 1 -16 32  11 o 39.831  7.9488  216.292    74.131   272.685    163.286  201.651    83.200   41.091  13.836  37.798  9.1661  3.292599       16.59685 
1 1 1 -16 32  12 o 39.237  8.4689  213.575    78.264   227.713    157.484  208.938    90.190   37.981  13.544  38.110  9.7221  -0.1293526     16.67190 
1 1 1 -16 32  13 o 25.936  9.1996  87.529     72.569   75.102     155.893  90.967     81.994   29.216  12.464  26.626  9.7351  2.590099       15.81511 
1 1 1 -16 32  14 o 11.345  5.5389  -85.7347   50.034   -180.6808  130.154  -69.2709   54.198   18.441  8.9878  12.695  6.0913  5.746146       10.85747 
1 1 1 -16 32  15 o 65.725  5.1830  551.920    81.985   638.751    119.363  474.369    112.803  69.161  7.2192  58.828  8.1190  10.33305       10.86436 
1 1 1 -16 32  16 f 44.713  6.4410  265.394    67.863   353.768    100.222  190.564    92.222   50.248  8.5248  35.630  10.167  14.61834       13.26803 
1 1 1 -16 32  17 o 54.140  5.7003  381.871    73.757   424.292    105.269  340.964    103.373  55.296  8.0847  48.702  9.0818  6.593845       12.15903 
1 1 1 -16 32  18 o 46.389  6.6028  289.003    72.223   288.013    106.636  289.842    98.165   43.476  10.272  44.369  9.4100  -0.8933258     13.93047 
1 1 1 -16 32  19 o 13.918  6.4626  -34.6303   52.395   -56.1404   79.089   -17.8063   69.945   16.519  7.7576  17.242  7.8008  -0.7230301     11.00147 
1 1 1 -16 32  20 o 46.476  6.3593  290.660    69.833   248.230    100.188  330.751    97.389   39.804  10.296  47.689  8.7385  -7.884937      13.50443 
1 1 1 -16 32  21 o 18.374  7.7395  21.192     58.843   2.9650     87.634   36.158     79.405   20.008  8.9168  21.289  8.9803  -1.280405      12.65524 
1 1 1 -16 32  22 o 16.698  7.1845  9.6340     52.599   -27.1020   80.005   37.601     69.806   17.676  8.1279  20.540  8.5243  -2.864096      11.77821 
1 1 1 -16 32  23 o 18.075  7.6244  21.220     57.232   27.093     87.003   16.740     75.988   21.077  9.1538  19.560  8.5244  1.516829       12.50829 
1 1 1 -16 32  24 o 21.434  7.9304  60.233     54.667   7.9061     82.425   101.327    73.044   19.558  8.6860  26.011  9.2294  -6.452837      12.67393 
1 1 1 -16 32  25 o 54.711  10.147  473.599    129.740  410.603    137.588  978.999    389.709  48.717  11.771  49.340  20.276  -0.6231766     23.44506 
1 1 1 -16 32  26 o 18.241  8.3913  -23.4635   85.399   -33.9669   88.568   115.479    322.128  18.087  8.3998  30.570  14.714  -12.48262      16.94283 
1 1 1 -16 32  27 o 20.711  9.2404  11.624     94.391   38.925     99.235   -247.7277  305.859  22.468  9.7670  25.207  12.556  -2.738356      15.90720 
1 1 1 -16 32  28 o 17.624  7.6307  11.802     60.092   45.579     102.479  -5.8977    74.185   23.022  9.9665  18.012  8.1021  5.010136       12.84430 
1 1 1 -16 32  29 o 20.730  8.2341  49.352     61.874   67.820     98.034   37.125     79.769   24.013  10.045  21.033  8.9429  2.980085       13.44909 
1 1 1 -16 32  30 o 32.508  10.525  179.598    94.759   388.167    264.900  148.993    101.473  36.776  15.972  29.629  10.830  7.146929       19.29776 
1 1 1 -16 32  31 o 34.752  15.720  369.134    283.875  369.134    283.875  0.0000     0.0000   34.752  15.720  ?       ?       0.000000       15.72001 
1 1 1 -16 33  1  o 55.151  6.7397  395.889    88.313   402.412    102.840  377.570    172.350  54.912  7.9497  48.827  13.887  6.085243       16.00172 
1 1 1 -16 33  2  o 90.691  5.9871  1050.06    131.006  1007.12    159.294  1139.80    230.287  87.524  7.5754  89.774  10.788  -2.250023      13.18205 
1 1 1 -16 33  3  o 96.322  4.2437  1153.53    99.182   1138.61    137.391  1169.78    143.327  94.377  6.0312  95.513  6.2184  -1.135292      8.662731 
1 1 1 -16 33  4  o 88.077  4.6897  972.608    99.862   1024.64    142.231  922.024    140.243  88.996  6.6342  84.165  6.9288  4.830833       9.592783 
1 1 1 -16 33  5  o 66.793  5.0824  564.003    81.751   630.669    118.999  504.420    112.500  69.312  7.1798  61.582  7.6971  7.730434       10.52589 
1 1 1 -16 33  6  o 19.201  7.6229  31.268     53.005   12.278     75.568   49.660     74.368   20.206  8.6504  22.829  9.0401  -2.622484      12.51210 
1 1 1 -16 33  7  o 24.615  8.0508  79.730     55.382   76.783     78.632   82.632     78.016   25.378  9.4869  25.863  9.4899  -0.4855099     13.41862 
1 1 1 -16 33  8  o 17.224  7.2285  12.438     51.024   36.104     72.915   -10.2702   71.425   21.576  8.8073  18.273  8.1017  3.303646       11.96690 
1 1 1 -16 33  9  o 28.856  9.1306  115.606    71.629   -164.2816  152.814  194.414    81.088   20.948  10.096  37.067  9.0861  -16.11877      13.58226 
1 1 1 -16 33  10 o 35.611  8.7182  178.475    74.725   127.496    151.305  194.921    85.937   31.689  12.777  36.808  9.5428  -5.118578      15.94753 
1 1 1 -16 33  11 o 48.462  7.7249  318.459    87.786   239.725    176.722  344.251    101.148  38.184  14.233  49.758  8.6943  -11.57433      16.67801 
1 1 1 -16 33  12 o 9.9922  4.9646  -107.9892  46.592   -240.8672  133.864  -89.6735   49.699   17.457  8.6276  11.136  5.4543  6.321668       10.20704 
1 1 1 -16 33  13 o 33.354  9.1522  160.976    76.308   420.387    159.005  83.351     86.979   50.831  12.877  25.945  9.9146  24.88554       16.25171 
1 1 1 -16 33  14 o 39.122  7.0824  208.029    64.755   245.078    97.894   179.206    86.345   40.528  10.013  34.696  9.8161  5.832123       14.02213 
1 1 1 -16 33  15 o 15.441  6.8324  -6.8825    50.552   76.819     86.598   -50.1497   62.262   25.158  9.8178  14.680  6.8906  10.47832       11.99459 
1 1 1 -16 33  16 o 38.157  6.9075  198.870    61.599   141.767    93.088   243.354    82.160   30.570  10.446  41.199  8.5009  -10.62926      13.46794 
1 1 1 -16 33  17 o 60.977  5.3386  483.042    78.191   522.532    113.577  447.462    107.806  61.240  7.8221  56.358  8.1177  4.881916       11.27312 
1 1 1 -16 33  18 o 39.884  6.9162  219.033    64.505   87.504     100.310  311.772    84.230   26.048  10.438  47.174  7.6183  -21.12569      12.92283 
1 1 1 -16 33  19 o 39.807  7.5591  224.329    70.342   368.456    104.721  105.838    94.953   49.917  8.9762  27.034  10.352  22.88261       13.70187 
1 1 1 -16 33  20 o 26.422  8.4648  103.062    61.416   206.224    96.685   33.277     79.521   35.518  10.492  20.968  8.9223  14.55049       13.77285 
1 1 1 -16 33  21 o 35.096  8.2433  182.751    69.003   204.073    102.476  165.064    93.332   34.697  10.914  31.637  10.456  3.059908       15.11486 
1 1 1 -16 33  22 o 8.4040  4.2442  -129.6008  41.504   -95.3167   69.641   -148.4846  51.685   13.622  6.6247  9.5959  4.8325  4.026523       8.200038 
1 1 1 -16 33  23 o 14.439  6.6287  -22.7938   52.921   4.9090     85.904   -39.7376   67.183   19.600  8.7748  15.454  7.2232  4.146031       11.36539 
1 1 1 -16 33  24 o 26.812  10.270  111.368    93.461   111.815    96.571   104.751    371.221  26.873  10.401  30.422  14.902  -3.549168      18.17271 
1 1 1 -16 33  25 o 19.777  8.8666  5.1893     88.044   16.714     90.722   -181.3817  365.019  20.583  9.1283  27.063  13.518  -6.479773      16.31105 
1 1 1 -16 33  26 o 15.468  6.8501  -2.4302    50.914   3.3940     77.927   -6.7682    67.254   18.822  8.3967  17.171  7.7198  1.651199       11.40613 
1 1 1 -16 33  27 o 17.735  7.4500  22.133     54.280   -145.8574  99.802   92.695     64.683   15.567  7.6462  24.990  8.6995  -9.422770      11.58211 
1 1 1 -16 33  28 o 12.286  5.9438  -71.3321   54.232   -14.7927   98.952   -95.6064   64.837   19.676  9.0446  12.932  6.3119  6.743577       11.02929 
1 1 1 -16 33  29 o 19.198  8.3791  19.110     73.671   194.538    250.944  2.5647     77.067   30.703  14.216  18.534  8.3033  12.16889       16.46363 
1 1 1 -16 33  30 o 20.818  10.371  -239.3015  209.030  -239.3015  209.030  0.0000     0.0000   20.818  10.371  ?       ?       0.000000       10.37110 
1 1 1 -16 34  1  o 59.261  5.3578  446.952    76.207   395.033    109.339  495.999    106.273  53.730  8.6828  61.287  7.2894  -7.556797      11.33698 
1 1 1 -16 34  2  o 74.534  4.9580  701.093    89.153   706.425    128.375  696.126    123.908  73.188  7.3274  72.821  7.1030  0.3665314      10.20505 
1 1 1 -16 34  3  o 90.475  4.6992  1028.31    102.805  992.966    144.103  1064.94    146.708  87.238  6.8632  90.479  6.7307  -3.240639      9.612794 
1 1 1 -16 34  4  o 28.146  8.0946  108.787    58.239   72.669     89.430   135.384    76.743   25.618  9.9826  30.989  9.3926  -5.370975      13.70671 
1 1 1 -16 34  5  o 57.239  5.5364  419.577    75.932   441.555    111.976  400.868    103.314  56.929  8.3551  54.398  8.0722  2.530994       11.61753 
1 1 1 -16 34  6  o 58.823  5.2064  440.709    73.542   462.302    100.247  415.545    108.218  59.074  7.1386  55.152  8.3479  3.921940       10.98397 
1 1 1 -16 34  7  o 55.188  7.3818  407.155    96.371   534.529    178.929  355.108    114.378  58.212  12.997  49.792  9.8161  8.420269       16.28711 
1 1 1 -16 34  8  o 32.642  8.9153  151.535    72.606   27.440     152.814  187.717    82.515   26.847  11.880  36.123  9.3438  -9.276024      15.11393 
1 1 1 -16 34  9  o 40.554  8.7045  231.838    83.089   173.624    155.699  255.018    98.249   34.048  13.198  41.805  9.8480  -7.756405      16.46753 
1 1 1 -16 34  10 o 59.871  7.2347  480.517    102.968  364.478    192.188  527.237    121.948  44.792  15.011  61.823  8.3425  -17.03128      17.17352 
1 1 1 -16 34  11 o 56.354  7.2534  428.011    96.879   421.610    189.647  430.271    112.692  48.266  14.793  55.383  8.6705  -7.116989      17.14698 
1 1 1 -16 34  12 o 9.4361  4.7081  -109.0743  43.769   -145.5570  81.329   -94.1998   51.931   13.937  6.8568  11.305  5.5450  2.632467       8.818353 
1 1 1 -16 34  13 o 40.321  6.8916  220.913    65.002   230.281    99.691   213.985    85.734   38.684  10.397  38.032  9.3551  0.6522293      13.98649 
1 1 1 -16 34  14 o 11.875  5.6414  -47.2635   44.111   -174.6243  75.841   17.850     54.228   12.464  6.2156  17.754  7.4516  -5.289653      9.703592 
1 1 1 -16 34  15 o 62.778  5.2337  511.145    78.996   469.053    114.352  549.569    109.257  57.290  8.4826  63.320  7.2414  -6.030144      11.15310 
1 1 1 -16 34  16 o 25.651  8.1987  94.484     57.642   58.360     88.052   121.573    76.251   23.428  9.6339  28.429  9.4539  -5.000460      13.49774 
1 1 1 -16 34  17 o 21.078  7.9674  54.662     55.785   24.329     91.776   72.435     70.253   21.442  9.3557  23.496  8.9267  -2.053949      12.93114 
1 1 1 -16 34  18 o 47.674  6.1586  307.183    69.575   250.882    103.466  353.654    94.000   39.102  10.627  49.465  8.1133  -10.36255      13.37031 
1 1 1 -16 34  19 o 16.108  7.2328  -8.8495    58.829   60.217     82.759   -79.3971   83.641   22.854  9.3621  15.857  7.5973  6.997288       12.05685 
1 1 1 -16 34  20 o 20.498  8.2533  46.196     63.034   -41.9861   88.604   136.562    89.694   17.703  8.2809  28.941  10.232  -11.23766      13.16287 
1 1 1 -16 34  21 o 19.522  7.9852  37.830     60.094   122.477    86.158   -42.3624   83.861   27.646  9.9987  17.165  8.0379  10.48072       12.82895 
1 1 1 -16 34  22 o 20.402  9.1814  8.2047     95.393   -11.4641   98.816   277.471    365.618  19.773  9.0705  32.470  15.640  -12.69699      18.08018 
1 1 1 -16 34  23 o 27.665  10.298  124.259    92.449   135.804    95.364   -55.9437   376.763  28.569  10.491  28.190  14.024  0.3794155      17.51380 
1 1 1 -16 34  24 o 17.088  8.0451  -49.0361   86.001   -43.5301   88.479   -143.2212  365.942  17.549  8.2297  27.151  13.557  -9.602077      15.85967 
1 1 1 -16 34  25 o 26.626  8.3139  107.384    59.585   76.005     87.713   134.274    81.196   23.961  9.7048  28.801  9.7565  -4.840162      13.76130 
1 1 1 -16 34  26 o 30.923  8.3097  145.722    63.685   183.574    96.800   116.836    84.563   32.630  10.642  27.091  9.8893  5.539085       14.52781 
1 1 1 -16 34  27 o 19.992  8.3967  36.647     68.933   -23.0793   244.370  41.810     71.851   25.879  12.545  20.570  8.6018  5.308701       15.21045 
1 1 1 -16 34  28 o 14.760  6.9409  -41.6558   63.660   -14.9634   242.850  -43.6254   65.967   25.629  12.442  14.959  7.0437  10.67014       14.29756 
1 1 1 -16 34  29 o 21.628  9.9317  14.716     118.898  223.650    246.543  -48.6033   135.725  30.122  13.998  20.484  9.7771  9.638876       17.07401 
1 1 1 -16 35  1  o 66.319  5.2901  560.151    84.419   669.928    122.388  460.521    116.595  71.198  7.1826  57.960  8.5473  13.23867       11.16448 
1 1 1 -16 35  2  o 26.277  8.4535  93.662     61.205   72.746     92.407   110.009    81.693   25.692  10.108  28.367  9.7823  -2.674950      14.06618 
1 1 1 -16 35  3  o 24.038  8.5521  73.041     62.757   108.570    96.044   46.568     82.904   28.584  10.523  23.096  9.4052  5.488913       14.11368 
1 1 1 -16 35  4  o 28.887  8.7619  116.912    66.765   255.603    102.509  14.735     87.986   41.711  10.211  21.425  9.2551  20.28586       13.78101 
1 1 1 -16 35  5  o 37.327  8.9700  198.509    80.233   428.614    149.274  105.027    95.145   52.682  11.952  28.157  10.453  24.52555       15.87839 
1 1 1 -16 35  6  o 29.292  9.2699  121.907    73.828   60.583     140.029  145.516    86.884   27.431  11.760  31.578  10.063  -4.146919      15.47792 
1 1 1 -16 35  7  o 30.156  9.2958  130.787    74.762   189.188    142.853  108.757    87.737   34.703  12.824  28.106  10.100  6.597317       16.32340 
1 1 1 -16 35  8  o 58.354  7.1620  457.506    99.279   605.300    179.168  392.021    119.262  61.870  12.367  51.843  9.8409  10.02708       15.80481 
1 1 1 -16 35  9  o 32.531  9.4986  156.191    79.652   170.066    161.242  151.713    91.610   33.245  13.265  31.789  10.352  1.455690       16.82644 
1 1 1 -16 35  10 o 26.285  8.1392  97.148     57.243   45.254     82.264   145.862    79.704   22.534  9.2945  31.329  9.5883  -8.794523      13.35376 
1 1 1 -16 35  11 o 26.566  8.4501  100.413    61.288   92.941     93.437   106.055    81.194   26.520  10.240  27.293  9.7257  -0.7733517     14.12249 
1 1 1 -16 35  12 o 23.369  8.1405  73.712     56.641   48.022     90.232   90.417     72.762   23.062  9.6413  25.539  9.1955  -2.476461      13.32338 
1 1 1 -16 35  13 o 30.987  8.0518  139.083    61.091   211.897    93.797   85.439     80.509   36.766  10.171  25.199  9.5603  11.56715       13.95890 
1 1 1 -16 35  14 o 36.822  7.1614  189.727    61.680   48.082     94.683   294.155    81.298   23.093  9.7773  45.701  7.5983  -22.60791      12.38264 
1 1 1 -16 35  15 o 17.771  7.4017  22.343     52.903   58.352     90.346   3.5541     65.262   23.350  9.6947  17.746  7.8121  5.604406       12.45053 
1 1 1 -16 35  16 o 30.170  8.1400  135.170    60.964   122.336    96.711   143.633    78.532   27.989  10.510  30.210  9.5607  -2.220373      14.20780 
1 1 1 -16 35  17 o 31.696  8.5532  152.880    67.305   86.580     93.335   224.706    97.146   25.086  10.063  36.814  10.411  -11.72851      14.47933 
1 1 1 -16 35  18 o 68.625  5.5945  628.070    92.345   668.171    129.118  586.082    132.124  67.752  8.0091  62.103  9.0329  5.649670       12.07222 
1 1 1 -16 35  19 o 20.679  8.2385  50.350     62.110   96.713     86.573   1.1771     89.158   25.406  9.8435  19.546  8.8286  5.859692       13.22265 
1 1 1 -16 35  20 o 19.215  8.1589  28.761     66.234   60.468     100.801  4.6705     87.863   23.357  9.9947  19.561  8.8063  3.795771       13.32085 
1 1 1 -16 35  21 o 41.500  11.722  314.636    123.242  281.042    131.614  553.792    351.165  37.894  12.412  37.261  17.095  0.6323395      21.12568 
1 1 1 -16 35  22 o 39.855  10.731  273.504    106.080  278.968    111.113  217.256    356.501  39.783  11.093  31.012  15.060  8.770548       18.70476 
1 1 1 -16 35  23 o 11.656  5.7268  -95.9257   56.119   -57.8899   77.237   -138.4604  81.678   15.758  7.4800  13.734  6.7786  2.024357       10.09454 
1 1 1 -16 35  24 o 13.442  6.3713  -48.1290   55.646   -25.6890   76.887   -72.8128   80.639   17.087  7.8969  15.584  7.4649  1.503378       10.86674 
1 1 1 -16 35  25 o 23.829  8.3835  84.258     60.145   137.474    86.855   35.230     83.368   28.663  10.075  20.857  9.0093  7.805559       13.51573 
1 1 1 -16 35  26 o 43.328  9.6649  304.747    99.025   561.842    253.214  258.328    107.594  42.332  16.707  37.963  11.027  4.368839       20.01789 
1 1 1 -16 35  27 o 34.405  10.087  204.744    89.657   279.275    249.156  193.658    96.094   31.652  14.477  32.780  10.597  -1.127846      17.94092 
1 1 1 -16 35  28 o 30.420  12.080  196.599    133.125  345.829    246.508  135.158    158.174  32.673  14.726  27.051  12.022  5.621723       19.01024 
1 1 1 -16 36  1  o 31.105  8.7966  137.528    69.357   215.322    95.266   49.793     101.170  38.163  10.122  24.540  10.230  13.62333       14.39113 
1 1 1 -16 36  2  o 37.321  8.6636  197.363    76.945   220.124    143.612  188.198    91.128   36.929  12.957  35.636  10.085  1.293076       16.41897 
1 1 1 -16 36  3  o 15.213  7.0982  -47.2710   64.446   -220.0174  118.627  25.060     76.761   16.387  8.1028  20.893  8.8224  -4.506245      11.97871 
1 1 1 -16 36  4  o 17.507  7.8170  -11.9500   67.690   106.050    123.556  -62.5542   80.913   28.960  11.592  16.678  7.8368  12.28209       13.99265 
1 1 1 -16 36  5  o 31.034  9.4544  140.800    77.611   100.314    142.167  157.988    92.632   29.194  12.145  32.431  10.396  -3.236755      15.98668 
1 1 1 -16 36  6  o 14.080  6.6509  -55.2657   59.664   -59.5948   124.928  -53.9866   67.909   21.125  9.8656  15.312  7.1900  5.813574       12.20766 
1 1 1 -16 36  7  o 17.693  7.4485  15.947     54.449   4.2781     79.176   26.417     75.000   19.623  8.6224  20.621  8.7148  -0.9982491     12.25943 
1 1 1 -16 36  8  o 32.303  8.2235  149.936    64.623   233.515    93.152   72.390     89.727   39.338  9.7965  24.838  9.9000  14.49976       13.92769 
1 1 1 -16 36  9  o 30.701  8.1753  136.109    61.985   188.779    86.573   80.707     88.791   35.146  9.7890  25.290  9.9213  9.855644       13.93755 
1 1 1 -16 36  10 o 18.018  7.3852  25.319     51.537   46.683     74.595   5.8091     71.286   21.805  8.9053  18.699  8.1997  3.106197       12.10536 
1 1 1 -16 36  11 o 18.983  7.8345  28.994     58.493   98.508     88.647   -24.6107   77.844   26.403  10.028  17.662  8.0831  8.740665       12.88035 
1 1 1 -16 36  12 o 18.107  7.5984  21.693     56.370   -50.9385   87.127   73.985     73.928   17.429  8.1714  23.764  9.1263  -6.335207      12.24993 
1 1 1 -16 36  13 o 51.385  6.0801  355.566    74.337   403.042    108.183  313.097    102.319  52.050  8.8849  44.973  9.6644  7.077194       13.12791 
1 1 1 -16 36  14 o 16.343  7.1659  2.9657     54.432   63.205     87.636   -34.8700   69.453   23.305  9.6005  16.009  7.4359  7.296522       12.14342 
1 1 1 -16 36  15 o 16.053  7.2575  -12.0309   60.407   -1.8916    87.735   -21.1698   83.294   19.394  8.7590  18.070  8.3034  1.323410       12.06923 
1 1 1 -16 36  16 f 29.363  8.8447  134.927    68.206   165.887    90.786   94.808     103.345  31.325  10.311  25.625  10.476  5.699942       14.69861 
1 1 1 -16 36  17 o 50.382  6.4712  352.456    77.280   313.912    106.385  395.518    112.447  43.532  10.243  49.870  9.6416  -6.338310      14.06677 
1 1 1 -16 36  18 o 13.816  6.5506  -49.2934   58.914   -75.2039   85.390   -25.7545   81.389   15.958  7.6538  17.473  8.0927  -1.515810      11.13882 
1 1 1 -16 36  19 o 20.154  9.0084  15.459     90.155   51.624     99.068   -158.8438  217.491  22.606  9.7928  22.442  11.074  0.1639271      14.78267 
1 1 1 -16 36  20 o 34.707  11.465  225.390    112.206  288.710    124.837  -40.8868   256.000  38.792  12.021  25.516  12.472  13.27598       17.32246 
1 1 1 -16 36  21 o 17.052  8.0167  -43.1064   84.857   -19.5039   87.815   -375.9241  329.755  18.310  8.4539  23.587  11.918  -5.277561      14.61200 
1 1 1 -16 36  22 o 20.827  8.5236  49.186     68.513   -74.3640   92.228   201.329    102.345  16.659  7.9807  33.459  10.944  -16.80061      13.54513 
1 1 1 -16 36  23 o 38.382  7.8806  219.855    70.934   295.601    93.524   117.264    108.842  43.245  9.1959  26.792  10.825  16.45317       14.20369 
1 1 1 -16 36  24 o 24.422  9.9962  86.225     94.252   -16.8615   197.243  116.729    107.295  24.180  11.607  26.611  10.749  -2.431740      15.81967 
1 1 1 -16 36  25 o 28.500  10.472  143.944    95.043   229.901    194.280  116.900    108.973  31.007  13.568  26.402  10.771  4.605423       17.32374 
1 1 1 -16 36  26 o 28.982  10.633  155.350    97.928   144.767    218.969  157.995    109.487  27.634  12.955  28.773  11.092  -1.138964      17.05470 
1 1 1 -16 37  1  o 31.612  9.6270  147.239    80.481   338.581    134.747  41.124     100.346  46.009  11.960  23.710  10.053  22.29935       15.62386 
1 1 1 -16 37  2  o 25.388  9.4007  84.125     76.848   339.028    130.676  -50.6337   95.014   46.228  11.653  18.673  8.6812  27.55548       14.53147 
1 1 1 -16 37  3  o 24.951  9.2489  81.008     74.426   156.005    134.057  47.593     89.483   31.942  12.284  23.228  9.6466  8.713762       15.61918 
1 1 1 -16 37  4  o 36.624  9.3991  199.434    83.943   238.248    149.930  181.712    101.311  37.025  13.214  34.049  10.868  2.975628       17.10887 
1 1 1 -16 37  5  o 41.008  7.3320  232.378    70.277   198.089    106.627  258.714    93.447   35.159  11.142  41.711  9.4517  -6.552784      14.61075 
1 1 1 -16 37  6  o 39.990  7.2536  221.510    67.791   301.724    95.328   139.443    96.423   45.440  8.9646  30.146  10.614  15.29332       13.89308 
1 1 1 -16 37  7  o 57.532  5.5548  433.819    76.578   403.178    105.224  468.322    111.657  53.001  8.4671  57.381  8.2574  -4.380577      11.82696 
1 1 1 -16 37  8  o 19.516  7.7191  39.395     54.162   56.124     77.381   23.327     75.836   22.604  9.1294  20.171  8.6514  2.433056       12.57745 
1 1 1 -16 37  9  o 30.592  8.1776  137.724    61.869   79.561     90.457   188.848    84.808   24.876  9.9323  34.765  9.6908  -9.888960      13.87664 
1 1 1 -16 37  10 o 22.684  8.1877  70.002     57.731   42.557     82.948   95.785     80.400   21.795  9.1855  25.728  9.5979  -3.932934      13.28503 
1 1 1 -16 37  11 o 30.625  7.9924  138.783    60.022   69.337     88.447   198.065    81.719   23.795  9.7050  35.616  9.3407  -11.82129      13.46983 
1 1 1 -16 37  12 o 36.503  7.8472  195.339    67.435   215.070    102.038  180.039    89.855   35.434  10.849  32.986  10.195  2.448368       14.88776 
1 1 1 -16 37  13 o 39.743  8.2725  236.354    77.180   243.485    106.417  228.441    112.102  37.386  10.997  35.590  11.440  1.795574       15.86836 
1 1 1 -16 37  14 o 16.268  7.4825  -22.2758   67.861   -37.1895   86.137   2.1254     110.181  17.499  8.1787  21.036  9.6233  -3.537710      12.62932 
1 1 1 -16 37  15 o 43.545  8.0554  283.249    81.976   248.324    106.804  333.322    127.887  37.253  11.033  42.225  11.946  -4.971828      16.26185 
1 1 1 -16 37  16 o 25.144  8.6710  97.975     64.187   102.943    88.815   92.544     92.867   25.560  9.9515  24.852  10.014  0.7082291      14.11764 
1 1 1 -16 37  17 o 18.981  8.6911  -6.7548    90.143   -33.5297   97.762   145.221    232.913  18.492  8.6652  28.565  13.382  -10.07339      15.94265 
1 1 1 -16 37  18 f 31.907  11.070  188.968    104.698  126.823    115.067  487.924    252.377  27.160  11.073  38.661  16.140  -11.50135      19.57315 
1 1 1 -16 37  19 o 25.452  10.184  102.190    95.306   177.241    105.138  -243.7200  225.717  30.931  11.062  21.341  10.655  9.590158       15.35930 
1 1 1 -16 37  20 o 15.912  7.2919  -17.4685   63.646   -160.9539  92.809   109.914    87.447   14.284  7.0816  26.025  9.9421  -11.74099      12.20634 
1 1 1 -16 37  21 o 19.667  8.1684  39.295     64.171   -53.2023   87.841   145.158    93.974   16.885  8.0038  28.807  10.439  -11.92165      13.15401 
1 1 1 -16 37  22 o 31.969  8.5768  161.561    67.910   118.299    91.347   215.013    101.537  26.605  10.162  34.345  10.871  -7.739967      14.88128 
1 1 1 -16 37  23 o 30.641  10.682  171.952    97.534   -5.6553    206.952  222.666    110.586  24.342  11.735  34.009  11.387  -9.666916      16.35157 
1 1 1 -16 37  24 o 15.814  7.5307  -54.9935   79.544   -146.3811  184.350  -34.0868   88.175   20.608  10.173  17.428  8.1866  3.180145       13.05834 
1 1 1 -16 37  25 o 23.234  9.6496  80.944     89.547   242.587    190.030  34.806     101.526  30.193  13.309  21.104  9.4868  9.089052       16.34429 
1 1 1 -16 38  1  o 40.769  8.8986  242.501    85.555   233.179    149.141  247.074    104.450  36.446  13.159  39.717  10.629  -3.270508      16.91570 
1 1 1 -16 38  2  o 50.380  6.7395  343.341    80.320   407.583    111.763  274.718    115.510  52.946  9.0231  41.231  11.238  11.71540       14.41236 
1 1 1 -16 38  3  o 29.211  8.5088  125.007    63.984   37.890     96.237   194.024    85.659   22.775  9.7564  35.609  9.6661  -12.83332      13.73399 
1 1 1 -16 38  4  f 27.652  8.5268  112.058    62.898   126.869    93.763   99.941     84.811   28.860  10.432  26.496  9.8630  2.363729       14.35620 
1 1 1 -16 38  5  o 45.718  7.0365  288.941    75.552   337.505    113.588  250.407    101.180  46.347  10.361  39.643  10.392  6.704239       14.67445 
1 1 1 -16 38  6  o 46.025  6.6650  290.326    72.264   244.008    97.931   345.698    107.075  39.131  10.207  47.551  9.6109  -8.419758      14.01998 
1 1 1 -16 38  7  o 59.569  5.5082  468.697    78.712   611.327    106.770  298.893    116.497  66.865  6.6699  42.164  11.198  24.70079       13.03411 
1 1 1 -16 38  8  o 39.427  7.2766  220.689    67.049   288.526    95.742   155.401    93.926   43.210  9.3992  30.688  10.493  12.52244       14.08716 
1 1 1 -16 38  9  o 15.730  6.9905  -3.4951    53.476   61.503     77.455   -62.6976   73.921   22.577  9.1283  15.302  7.2793  7.274546       11.67536 
1 1 1 -16 38  10 o 19.637  7.9019  41.438     57.741   133.581    82.658   -46.3782   80.694   28.681  9.8428  16.656  7.8266  12.02482       12.57524 
1 1 1 -16 38  11 o 45.810  7.4137  302.638    79.591   353.664    107.680  241.191    118.167  46.970  9.7667  35.913  11.761  11.05685       15.28722 
1 1 1 -16 38  12 o 13.028  6.3161  -79.3348   62.019   -29.1139   81.554   -148.2079  95.506   17.323  8.0502  14.911  7.3540  2.412565       10.90351 
1 1 1 -16 38  13 o 21.409  8.6321  57.403     69.056   20.144     91.983   105.525    104.537  20.426  9.1168  25.847  10.547  -5.420898      13.94144 
1 1 1 -16 38  14 o 37.656  8.6259  222.169    77.121   270.110    100.940  154.939    119.534  39.495  10.392  28.802  11.443  10.69282       15.45823 
1 1 1 -16 38  15 o 29.366  10.837  158.273    101.960  228.355    112.626  -160.0422  240.029  34.371  11.491  22.810  11.322  11.56194       16.13188 
1 1 1 -16 38  16 o 18.423  8.6181  -28.2297   95.998   -12.6988   105.500  -102.9885  231.465  19.720  9.1612  23.312  11.488  -3.592010      14.69342 
1 1 1 -16 38  17 o 39.580  11.004  285.436    109.501  288.157    120.586  272.647    261.455  38.453  11.798  30.993  14.406  7.460037       18.62064 
1 1 1 -16 38  18 o 18.099  7.8351  20.320     63.332   19.853     90.810   20.763     88.370   20.166  9.0253  20.050  8.9433  0.1158810      12.70587 
1 1 1 -16 38  19 o 33.888  8.7837  183.834    72.820   93.221     98.779   291.701    107.774  24.750  10.194  40.469  10.782  -15.71910      14.83767 
1 1 1 -16 38  20 o 24.341  8.9151  92.477     68.807   51.470     99.051   130.718    95.653   22.266  9.7172  27.351  10.410  -5.084570      14.24060 
1 1 1 -16 38  21 o 24.853  9.8206  98.865     87.589   10.984     183.139  124.929    99.735   23.872  11.384  26.736  10.506  -2.864126      15.49151 
1 1 1 -16 38  22 o 19.463  8.7033  18.496     84.247   -102.2053  174.904  54.960     96.134   20.909  10.239  22.078  9.6054  -1.169170      14.03959 
1 1 1 -16 38  23 o 20.300  8.9737  34.205     86.985   -5.8738    191.923  44.566     97.583   23.156  11.198  21.374  9.4737  1.782011       14.66755 
1 1 1 -16 38  24 o 17.953  8.2793  -4.5821    83.845   -39.5272   189.752  3.8961     93.464   21.998  10.750  18.994  8.7529  3.004162       13.86265 
1 1 1 -16 39  1  o 17.211  7.4624  7.6272     57.633   -36.0530   90.765   37.136     74.603   18.456  8.5472  20.970  8.7667  -2.514675      12.24374 
1 1 1 -16 39  2  o 25.685  8.5623  96.138     62.533   111.556    92.980   83.405     84.498   27.346  10.298  24.925  9.7060  2.420986       14.15102 
1 1 1 -16 39  3  o 43.350  7.2126  263.657    73.200   322.353    109.252  215.843    98.606   45.092  10.221  36.249  10.564  8.842552       14.69950 
1 1 1 -16 39  4  o 44.773  6.9104  279.029    72.656   184.892    106.076  362.223    99.720   32.864  11.151  49.465  8.6220  -16.60084      14.09589 
1 1 1 -16 39  5  o 36.976  8.0027  201.046    69.715   174.756    105.267  221.586    93.045   31.862  11.098  36.905  10.098  -5.042854      15.00416 
1 1 1 -16 39  6  o 55.820  5.7674  418.380    76.989   465.343    107.023  368.013    110.834  56.506  8.0319  48.249  9.8016  8.257637       12.67210 
1 1 1 -16 39  7  o 24.747  8.3419  91.408     59.355   129.930    81.012   46.767     87.210   28.337  9.7432  21.946  9.3413  6.391031       13.49772 
1 1 1 -16 39  8  o 14.529  6.6899  -23.3639   54.452   15.755     78.550   -59.5507   75.550   19.377  8.5485  15.492  7.3665  3.885531       11.28459 
1 1 1 -16 39  9  o 25.723  9.0689  103.764    70.419   25.258     89.487   231.436    114.119  20.618  9.1086  35.089  11.561  -14.47060      14.71785 
1 1 1 -16 39  10 o 22.017  8.7931  64.152     70.915   43.779     92.334   93.453     110.733  21.688  9.4246  25.185  10.613  -3.496754      14.19387 
1 1 1 -16 39  11 o 27.620  9.1638  125.318    71.658   68.124     95.064   200.581    109.051  23.107  9.7908  32.405  11.295  -9.298525      14.94775 
1 1 1 -16 39  12 o 22.561  8.8978  72.613     71.775   102.791    97.614   37.093     105.902  25.265  10.236  21.820  9.7576  3.444361       14.14174 
1 1 1 -16 39  13 o 15.443  7.5303  -105.1277  91.698   -105.1277  91.698   0.0000     0.0000   15.443  7.5303  ?       ?       0.000000       7.530293 
1 1 1 -16 39  14 o 18.925  8.7338  -8.2505    93.545   -29.5647   102.249  101.194    231.698  18.732  8.8046  26.710  12.756  -7.978058      15.49970 
1 1 1 -16 39  15 o 22.724  9.7864  64.250     97.784   79.198     107.140  -10.2980   239.268  23.836  10.255  24.685  12.065  -0.8489552     15.83403 
1 1 1 -16 39  16 o 35.996  11.193  247.325    108.133  230.250    118.999  328.221    259.017  33.566  11.793  31.895  14.651  1.670464       18.80782 
1 1 1 -16 39  17 o 27.410  9.4097  126.999    75.548   136.328    102.213  115.766    112.160  27.444  10.678  26.040  10.806  1.403725       15.19198 
1 1 1 -16 39  18 o 20.922  8.5842  54.226     69.715   52.176     90.841   57.163     108.742  21.783  9.4067  22.789  10.056  -1.006184      13.76951 
1 1 1 -16 39  19 o 25.510  9.2102  107.378    73.058   55.388     98.518   170.904    108.900  22.227  9.6958  29.631  11.147  -7.403814      14.77402 
1 1 1 -16 39  20 o 22.952  9.6383  74.548     90.802   11.082     179.138  96.493     105.336  23.363  11.174  24.576  10.354  -1.213598      15.23349 
1 1 1 -16 39  21 o 14.111  6.8710  -88.4292   75.571   -157.4435  162.208  -69.2966   85.406   18.999  9.4087  15.727  7.5716  3.271284       12.07699 
1 1 1 -16 39  22 o 20.200  8.9367  37.803     86.439   -136.1705  180.105  89.869     98.528   19.926  9.8761  23.550  9.9726  -3.624683      14.03534 
1 1 1 -16 40  1  o 15.868  7.0377  -2.6519    53.938   -70.3232   92.760   31.917     66.299   17.096  8.1389  19.648  8.2426  -2.551857      11.58371 
1 1 1 -16 40  2  o 30.730  8.7444  145.876    68.317   191.005    103.043  110.480    91.256   33.146  10.988  26.720  10.169  6.425625       14.97153 
1 1 1 -16 40  3  o 47.194  6.7389  311.190    74.978   311.405    108.419  310.993    103.802  43.351  10.433  43.880  9.9753  -0.5285873     14.43462 
1 1 1 -16 40  4  o 39.401  7.8807  229.569    72.710   222.154    108.930  235.527    97.648   35.061  11.278  37.278  10.401  -2.217274      15.34160 
1 1 1 -16 40  5  o 36.512  8.2172  202.235    71.040   239.308    104.984  170.923    96.484   36.694  10.955  31.195  10.635  5.498388       15.26838 
1 1 1 -16 40  6  o 46.266  6.5075  300.038    71.034   223.628    98.055   384.425    103.047  35.690  10.572  49.830  8.8467  -14.13998      13.78531 
1 1 1 -16 40  7  o 53.792  6.2851  402.688    80.487   327.387    113.526  478.790    114.129  43.102  10.860  55.632  8.7432  -12.52990      13.94198 
1 1 1 -16 40  8  o 45.610  7.2242  303.326    77.286   462.182    112.086  159.346    106.709  54.394  8.7926  29.220  11.026  25.17315       14.10227 
1 1 1 -16 40  9  o 23.703  8.6335  87.009     64.400   103.442    92.735   71.703     89.501   25.177  10.055  22.955  9.5998  2.221411       13.90194 
1 1 1 -16 40  10 o 37.802  8.4886  225.939    75.955   256.122    99.991   184.766    116.786  37.676  10.530  30.273  11.507  7.403704       15.59800 
1 1 1 -16 40  11 o 15.104  7.3492  -94.7165   86.015   -105.5745  92.986   -30.3298   226.433  15.471  7.5527  23.851  11.674  -8.379778      13.90396 
1 1 1 -16 40  12 o 23.244  10.306  66.574     115.590  66.574     115.590  0.0000     0.0000   23.244  10.306  ?       ?       0.000000       10.30625 
1 1 1 -16 40  13 o 22.718  9.8169  66.828     99.063   12.821     108.539  336.254    242.426  20.587  9.4669  31.927  14.477  -11.33976      17.29743 
1 1 1 -16 40  14 o 21.994  9.7731  48.945     104.491  -13.0058   115.926  317.310    241.280  20.048  9.4076  31.438  14.327  -11.39029      17.13977 
1 1 1 -16 40  15 o 11.765  5.8272  -115.3304  62.284   -178.9538  83.041   -33.5093   94.171   12.717  6.3662  17.851  8.4087  -5.133516      10.54682 
1 1 1 -16 40  16 o 20.691  8.6457  51.030     72.507   83.170     97.912   12.003     107.893  23.683  9.9802  20.559  9.4481  3.124132       13.74304 
1 1 1 -16 40  17 o 16.921  7.6456  -0.8390    66.933   53.055     87.988   -74.8607   103.117  21.506  9.2725  17.184  8.2842  4.321741       12.43406 
1 1 1 -16 40  18 o 29.041  11.065  168.354    108.137  199.800    201.804  155.688    128.077  28.450  13.018  27.655  11.517  0.7949886      17.38158 
1 1 1 -16 40  19 o 27.506  10.967  151.074    110.133  78.048     218.603  175.915    127.496  25.098  12.090  28.507  11.642  -3.409689      16.78451 
1 1 1 -16 40  20 o 26.188  10.727  135.405    108.640  195.810    218.636  115.601    125.189  27.227  12.821  24.981  10.913  2.245695       16.83676 
1 1 1 -16 40  21 o 25.997  10.738  140.091    110.016  -2.9825    218.075  188.935    127.418  22.703  11.181  28.258  11.601  -5.554474      16.11184 
1 1 1 -16 41  1  o 22.511  8.3580  71.883     60.827   37.647     100.837  91.466     76.265   21.989  9.6939  24.618  9.3133  -2.628637      13.44280 
1 1 1 -16 41  2  o 25.007  8.5562  96.430     62.452   97.315     99.165   95.848     80.400   25.292  10.291  24.930  9.5309  0.3619461      14.02684 
1 1 1 -16 41  3  o 19.310  7.9910  37.920     61.091   -43.8676   95.526   94.519     79.466   17.894  8.4411  24.697  9.4674  -6.803602      12.68395 
1 1 1 -16 41  4  o 29.316  9.0294  140.895    70.555   179.986    115.663  117.728    89.040   30.442  11.481  26.453  10.050  3.989033       15.25797 
1 1 1 -16 41  5  o 37.776  8.3443  222.468    74.443   242.934    115.454  207.904    97.393   35.042  11.632  33.676  10.646  1.365986       15.76832 
1 1 1 -16 41  6  o 60.029  6.1188  502.821    87.878   528.487    125.683  478.271    122.920  56.917  9.4308  53.536  9.8247  3.380795       13.61852 
1 1 1 -16 41  7  o 42.626  7.5040  272.436    74.777   352.612    106.147  193.446    105.359  45.503  9.8959  31.372  11.090  14.13122       14.86288 
1 1 1 -16 41  8  o 25.183  8.8116  104.371    66.401   52.917     99.983   144.973    88.815   21.947  9.6653  28.145  10.156  -6.197710      14.02005 
1 1 1 -16 41  9  o 17.155  8.0977  -36.3755   88.167   -48.3870   91.905   102.330    312.312  17.034  8.1069  26.526  13.122  -9.492598      15.42436 
1 1 1 -16 41  10 o 19.908  9.0741  15.899     96.839   42.532     102.078  -223.7783  306.224  21.406  9.5754  22.893  11.558  -1.487223      15.00889 
1 1 1 -16 41  11 o 30.157  11.032  183.108    105.324  258.616    115.624  -184.9415  255.274  35.314  11.637  22.053  11.057  13.26052       16.05240 
1 1 1 -16 41  12 o 20.617  9.3741  25.306     102.542  -37.9663   113.151  316.067    242.559  18.890  8.9917  30.733  14.139  -11.84262      16.75634 
1 1 1 -16 41  13 f 17.270  7.7516  5.8981     67.499   -41.9306   88.621   71.983     104.170  16.962  8.0399  22.953  9.9924  -5.991327      12.82533 
1 1 1 -16 41  14 o 25.407  9.2956  109.869    74.776   73.217     101.820  152.781    110.172  22.987  9.9429  27.824  11.008  -4.836857      14.83356 
1 1 1 -16 41  15 o 15.266  7.1610  -32.2328   67.051   -93.7670   89.340   47.131     101.461  15.344  7.4712  21.586  9.6092  -6.242662      12.17189 
1 1 1 -16 41  16 o 49.230  10.665  439.285    123.716  708.492    226.499  324.819    147.694  48.153  16.295  36.429  13.103  11.72445       20.90970 
1 1 1 -16 41  17 o 46.704  11.242  418.305    125.864  239.991    231.688  492.961    149.914  28.375  13.310  48.045  12.676  -19.67019      18.38049 
1 1 1 -16 41  18 o 27.315  10.918  156.270    109.440  182.903    216.129  147.086    126.913  26.665  12.615  26.335  11.241  0.3296814      16.89607 
1 1 1 -16 41  19 o 22.694  9.9465  82.661     104.768  -206.2831  202.615  188.109    122.401  19.323  9.7100  28.279  11.461  -8.956268      15.02105 
1 1 1 -16 42  1  o 36.319  8.2559  205.590    71.106   289.770    110.545  146.179    92.868   39.570  11.076  28.476  10.368  11.09388       15.17155 
1 1 1 -16 42  2  o 25.148  9.1946  103.814    73.142   200.844    105.064  12.565     101.886  32.156  11.093  20.308  9.2763  11.84845       14.46076 
1 1 1 -16 42  3  o 25.019  9.2238  103.777    73.827   204.977    106.975  11.744     102.015  32.143  11.188  20.181  9.2422  11.96207       14.51161 
1 1 1 -16 42  4  o 49.624  7.1204  363.134    83.279   394.231    132.518  342.837    107.061  44.372  12.014  44.199  10.191  0.1727409      15.75397 
1 1 1 -16 42  5  o 55.402  6.2817  436.299    82.951   375.268    121.106  490.237    113.851  44.467  11.224  55.198  8.7958  -10.73093      14.25949 
1 1 1 -16 42  6  o 19.755  8.1365  47.982     62.930   65.655     95.459   34.398     83.691   22.247  9.6250  19.987  8.8202  2.260427       13.05517 
1 1 1 -16 42  7  o 49.298  11.066  454.612    129.117  448.078    139.160  495.041    346.150  46.842  12.143  31.097  15.038  15.74487       19.32834 
1 1 1 -16 42  8  o 14.220  6.9892  -112.3079  83.862   -131.4567  87.028   136.637    313.790  14.050  6.9462  26.350  13.056  -12.29910      14.78858 
1 1 1 -16 42  9  o 31.258  11.528  211.932    115.340  169.579    122.722  532.537    337.649  28.062  11.437  31.723  15.217  -3.660807      19.03566 
1 1 1 -16 42  10 o 23.628  9.8748  91.314     94.614   112.446    99.616   -103.4073  302.387  24.991  10.258  23.555  11.840  1.436674       15.66572 
1 1 1 -16 42  11 o 25.037  8.7293  105.357    65.138   61.816     99.230   138.325    86.347   22.051  9.6718  27.261  9.9866  -5.209839      13.90235 
1 1 1 -16 42  12 o 31.552  9.0147  170.294    72.454   190.755    112.542  155.809    94.688   30.000  11.322  28.344  10.447  1.655642       15.40530 
1 1 1 -16 42  13 o 20.953  8.5327  61.020     68.236   143.333    93.074   -34.6387   100.336  27.377  10.304  18.001  8.5388  9.376795       13.38242 
1 1 1 -16 42  14 o 34.499  11.549  253.190    113.768  255.803    216.887  252.197    133.628  28.938  13.335  32.478  12.318  -3.540316      18.15347 
1 1 1 -16 42  15 o 22.850  9.9655  79.144     104.027  2.6600     203.243  106.293    121.091  22.844  11.155  24.403  10.694  -1.559048      15.45346 
1 1 1 -16 42  16 o 19.387  8.9355  14.689     97.454   49.402     184.432  1.2435     114.787  23.144  11.138  19.759  9.3002  3.385183       14.51056 
1 1 1 -16 42  17 o 15.417  7.5197  -84.2451   91.592   -31.1409   176.494  -103.8178  107.149  20.957  10.268  16.124  7.9203  4.832706       12.96753 
1 1 1 -16 43  1  f 22.417  8.8797  77.046     71.773   174.397    103.290  -13.8439   99.804   29.447  10.900  18.779  8.7856  10.66822       13.99963 
1 1 1 -16 43  2  o 17.030  7.6952  3.0283     67.811   23.030     98.598   -14.9244   93.410   20.148  9.1729  18.232  8.5201  1.915407       12.51931 
1 1 1 -16 43  3  o 26.818  9.2322  127.040    72.749   149.795    102.470  103.914    103.301  27.391  10.682  24.388  10.263  3.003193       14.81341 
1 1 1 -16 43  4  o 18.890  9.0151  -33.5536   115.304  74.159     133.001  -359.4652  231.350  23.279  10.620  19.113  9.6895  4.165928       14.37596 
1 1 1 -16 43  5  o 16.005  7.7819  -84.4525   95.982   -71.5511   100.193  -228.3131  334.574  16.709  8.0825  22.694  11.520  -5.985176      14.07274 
1 1 1 -16 43  6  o 26.037  10.398  132.126    99.158   141.135    104.012  42.318     328.409  26.520  10.629  24.865  12.477  1.654919       16.39078 
1 1 1 -16 43  7  o 17.610  8.1873  -10.3985   84.520   29.370     87.545   -556.1566  324.312  19.660  8.8258  ?       ?       0.000000       8.825835 
1 1 1 -16 43  8  o 34.801  8.7863  204.571    74.204   240.765    110.301  174.647    100.293  33.556  11.371  29.116  10.748  4.440084       15.64682 
1 1 1 -16 43  9  o 26.035  8.8148  117.233    66.277   54.370     96.988   172.306    90.780   21.371  9.4600  29.647  10.307  -8.275747      13.99018 
1 1 1 -16 43  10 o 28.486  9.0592  142.677    70.444   123.396    102.852  159.713    96.681   25.435  10.430  28.229  10.526  -2.793852      14.81852 
1 1 1 -16 43  11 o 29.052  9.1133  149.111    71.503   178.227    112.535  129.399    92.597   28.686  11.193  26.028  10.154  2.657703       15.11193 
1 1 1 -16 43  12 o 33.833  10.626  227.098    97.172   -27.9127   267.733  265.786    104.282  23.371  11.658  36.400  10.930  -13.02925      15.98071 
1 1 1 -16 43  13 o 20.537  9.0942  47.060     89.720   368.463    281.977  10.855     94.639   29.016  13.915  19.059  8.7915  9.957359       16.45946 
1 1 1 -16 43  14 o 24.190  9.8541  109.755    91.043   199.158    256.977  96.922     97.358   25.938  12.639  23.332  9.8985  2.606133       16.05365 
1 1 1 -16 43  15 o 21.929  9.5715  77.019     96.132   -33.2726   203.757  108.599    109.030  21.365  10.574  23.679  10.265  -2.313896      14.73762 
1 1 1 -16 43  16 o 21.403  9.5646  71.130     101.572  -85.7861   193.439  130.863    119.348  19.966  9.9515  24.282  10.630  -4.316057      14.56108 
1 1 1 -16 44  1  o 18.169  8.0345  23.331     69.794   80.689     100.988  -29.1158   96.568   22.713  9.8630  17.686  8.3859  5.026381       12.94617 
1 1 1 -16 44  2  o 15.500  7.6491  -125.7016  103.892  -175.9450  114.832  100.943    243.891  15.315  7.6391  24.711  12.099  -9.395405      14.30882 
1 1 1 -16 44  3  o 19.407  9.1247  -0.9841    109.973  43.193     123.867  -165.4328  238.985  21.538  9.9783  20.982  10.544  0.5561752      14.51687 
1 1 1 -16 44  4  o 35.022  12.195  292.043    127.117  294.763    144.739  282.867    265.822  33.210  12.766  27.613  13.309  5.596733       18.44193 
1 1 1 -16 44  5  o 15.040  7.3453  -90.2011   88.201   -71.2731   91.795   -317.8594  318.352  15.895  7.7006  ?       ?       0.000000       7.700571 
1 1 1 -16 44  6  o 29.100  9.0904  151.828    71.227   267.650    104.249  50.420     97.546   36.231  10.939  20.956  9.3684  15.27469       14.40278 
1 1 1 -16 44  7  o 18.167  7.7682  33.164     60.809   96.138     89.057   -21.8406   83.232   23.442  9.6700  16.916  7.9487  6.526245       12.51764 
1 1 1 -16 44  8  o 19.915  8.3352  51.839     67.548   64.201     102.389  42.313     89.882   21.819  9.6860  20.285  9.0361  1.534121       13.24650 
1 1 1 -16 44  9  o 31.967  8.9139  178.313    71.742   154.140    107.505  197.722    96.330   26.917  10.799  31.003  10.626  -4.086025      15.15078 
1 1 1 -16 44  10 o 29.150  10.468  175.259    94.230   49.813     278.899  191.424    100.118  23.989  11.955  29.990  10.788  -6.000923      16.10302 
1 1 1 -16 44  11 o 28.827  10.299  170.519    91.102   -87.3958   260.993  206.304    97.216   22.008  11.055  31.335  10.675  -9.326588      15.36773 
1 1 1 -16 44  12 o 17.690  8.1487  5.3450     80.897   10.576     274.342  4.8469     84.661   22.977  11.512  17.914  8.2815  5.063097       14.18140 
1 1 1 -16 44  13 o 19.079  8.5779  34.456     83.041   8.1624     281.737  36.958     86.902   22.631  11.382  19.377  8.7376  3.253355       14.34910 
1 1 1 -16 44  14 o 20.796  9.0122  68.968     83.971   -154.1879  284.797  90.215     87.878   20.791  10.561  22.119  9.3951  -1.328106      14.13532 
1 1 1 -16 45  1  o 23.972  10.471  111.637    115.247  115.921    130.204  96.138     247.658  24.132  10.803  24.080  11.870  0.5196190E-01  16.04985 
1 1 1 -16 45  2  f 25.820  10.908  147.908    117.430  127.743    132.431  222.096    254.018  24.607  10.964  26.067  12.671  -1.459576      16.75624 
1 1 1 -16 45  3  o 12.570  6.1689  -88.4887   64.555   18.405     91.937   -192.4480  90.666   19.008  8.7304  12.890  6.4798  6.117845       10.87229 
1 1 1 -16 45  4  o 19.524  8.2422  49.412     66.968   -24.4739   99.474   110.655    90.565   17.804  8.4620  24.128  9.8285  -6.324539      12.96934 
1 1 1 -16 45  5  f 16.900  7.6323  8.7516     66.601   33.532     88.342   -23.8779   101.372  19.568  8.8179  17.963  8.5390  1.604628       12.27473 
1 1 1 -16 45  6  o 17.492  7.7672  19.771     65.884   77.800     87.016   -58.1845   100.855  21.996  9.3460  16.857  8.1430  5.138496       12.39580 
1 1 1 -16 45  7  f 16.594  7.4493  9.8728     62.367   -10.9275   87.804   31.053     88.603   17.527  8.2129  19.425  8.7849  -1.897459      12.02605 
1 1 1 -16 45  8  o 21.609  9.2049  74.018     84.796   -56.5309   266.785  88.689     89.434   22.202  11.155  22.581  9.5283  -0.3789082     14.67045 
1 1 1 -16 45  9  o 14.434  6.9237  -49.2062   69.923   -363.4327  260.667  -24.8428   72.583   ?       ?       15.655  7.3766  0.000000       7.376640 
1 1 1 -16 45  10 o 18.157  8.2592  20.183     79.709   -36.3120   253.092  26.403     83.982   21.792  10.938  18.692  8.4929  3.100552       13.84805 
1 1 1 -16 45  11 o 17.983  8.1802  21.318     78.196   -146.6309  271.152  36.552     81.666   20.677  10.483  18.932  8.5098  1.744722       13.50231 
1 1 1 -16 45  12 o 17.146  7.9112  9.4776     76.701   -198.2690  257.480  29.708     80.349   19.666  9.9948  18.326  8.3190  1.340046       13.00392 
1 1 1 -16 46  1  o 19.415  8.4098  46.830     73.052   45.659     107.816  47.824     99.326   20.592  9.4565  20.418  9.2616  0.1732693      13.23638 
1 1 1 -16 46  2  o 14.005  6.6789  -41.4052   63.037   -116.3952  98.776   10.123     81.879   15.052  7.4337  17.898  8.2272  -2.845770      11.08815 
1 1 1 -16 46  3  o 14.863  7.0243  -30.3587   66.717   -8.2295    102.743  -46.4936   87.731   18.387  8.6981  16.107  7.7341  2.279736       11.63929 
1 1 1 -16 46  4  o 16.674  7.6646  0.5596     71.050   -15.0558   101.624  15.491     99.374   18.075  8.5796  19.069  8.8698  -0.9947777     12.34030 
1 1 1 -16 46  5  o 15.736  7.5097  -38.0945   79.995   2.3693     154.160  -53.0052   93.581   20.615  9.9853  16.299  7.8661  4.315203       12.71153 
1 1 1 -16 46  6  o 17.925  8.3743  1.6167     90.144   104.392    180.245  -32.6643   104.098  23.264  11.148  17.551  8.4269  5.712570       13.97473 
1 1 1 -16 46  7  o 17.976  8.4035  3.8601     91.013   97.155     182.244  -27.1392   105.051  22.906  11.036  17.685  8.4842  5.221346       13.91997 
1 1 1 -16 46  8  o 20.897  9.3368  67.942     96.749   30.689     238.821  75.256     105.821  21.958  10.963  21.375  9.6397  0.5834103      14.59803 
1 1 1 -16 46  9  o 17.467  8.0611  12.948     79.707   47.272     270.450  9.6826     83.412   22.018  11.084  17.530  8.1444  4.488068       13.75429 
1 1 1 -16 46  10 o 20.225  8.8095  68.301     81.065   -151.2189  253.637  93.276     85.552   19.630  9.9714  21.760  9.2570  -2.130007      13.60589 
1 1 1 -16 47  1  o 17.076  7.6875  16.443     66.953   97.218     99.067   -51.4738   90.840   22.630  9.7979  16.029  7.7390  6.601740       12.48567 
1 1 1 -16 47  2  o 19.277  8.2561  50.196     68.890   186.392    101.791  -64.9024   93.576   28.252  10.742  15.812  7.6873  12.43984       13.20960 
1 1 1 -16 47  3  o 17.111  8.2424  -37.1272   101.564  0.0000     0.0000   -37.1272   101.564  ?       ?       17.111  8.2424  0.000000       8.242353 
1 1 1 -16 47  4  o 15.803  7.6014  -42.8811   85.631   -120.0050  159.598  -11.7035   101.474  18.062  9.0086  17.831  8.4954  0.2307472      12.38247 
1 1 1 -16 47  5  o 22.302  9.6162  98.067     94.635   135.393    176.005  82.887     112.241  23.242  11.105  21.575  9.8090  1.666491       14.81662 
1 1 1 -16 47  6  o 23.424  9.8863  121.126    96.312   171.674    178.840  100.477    114.303  23.806  11.324  22.115  9.9920  1.691202       15.10216 
1 1 1 -16 47  7  o 16.211  7.7667  -25.4571   87.391   -139.9214  168.108  16.931     102.300  17.625  8.8553  18.421  8.7036  -0.7959614     12.41650 
1 1 1 -16 47  8  o 30.218  11.115  244.098    107.110  252.800    210.930  241.074    124.333  24.071  11.665  27.939  11.464  -3.867651      16.35475 
1 1 1 -16 48  1  o 18.234  8.1078  36.490     72.031   151.617    164.964  9.3693     80.067   23.538  11.100  17.272  8.0091  6.266239       13.68815 
1 1 1 -16 48  2  o 17.540  8.4170  -15.3472   103.539  0.0000     0.0000   -15.3472   103.539  ?       ?       17.540  8.4170  0.000000       8.417036 
1 1 1 -16 48  3  o 14.575  7.2214  -107.1435  95.956   0.0000     0.0000   -107.1435  95.956   ?       ?       14.575  7.2214  0.000000       7.221406 
1 1 1 -16 48  4  o 19.031  8.7373  45.108     91.952   4.9980     171.644  61.252     108.896  19.734  9.7559  20.039  9.3090  -0.3053722     13.48458 
1 1 1 -16 48  5  o 19.951  9.0080  69.239     92.715   204.632    174.236  15.759     109.505  23.606  11.214  18.290  8.7445  5.315781       14.22011 
1 1 1 -16 48  6  o 20.787  9.2640  91.822     94.591   39.380     180.496  111.677    111.064  19.828  9.8377  21.505  9.7693  -1.677031      13.86432 
1 1 1 -16 49  1  o 24.663  9.3161  134.634    76.236   320.089    177.158  92.486     84.456   26.729  12.218  21.176  9.1074  5.553194       15.23912 
1 1 1 -16 49  2  o 21.836  8.8013  99.876     71.763   61.980     172.742  107.781    78.894   20.185  9.9423  22.138  9.1132  -1.953779      13.48705 
1 1 1 -16 49  3  o 18.910  8.7016  56.268     91.908   38.052     172.266  63.517     108.666  19.481  9.6563  19.409  9.1081  0.7216644E-01  13.27409 
1 1 1 -15 -54 28 o 20.125  8.3565  94.313     67.134   94.857     108.429  93.975     85.491   19.092  9.0024  19.436  8.7238  -0.3437176     12.53585 
1 1 1 -15 -54 29 o 17.740  6.9107  56.563     42.847   97.826     101.351  47.583     47.280   19.395  8.9996  16.812  6.9995  2.582640       11.40114 
1 1 1 -15 -54 30 o 15.443  6.6679  31.773     45.632   -25.3151   96.835   48.070     51.737   15.457  7.5797  16.942  7.2027  -1.485044      10.45613 
1 1 1 -15 -54 31 o 15.247  6.6566  28.459     46.523   188.505    98.366   -17.6574   52.802   24.306  10.106  12.961  6.1616  11.34522       11.83602 
1 1 1 -15 -54 32 o 20.101  7.4419  79.048     48.156   53.709     99.725   86.753     54.992   17.955  8.5160  20.429  7.8648  -2.473896      11.59207 
1 1 1 -15 -54 33 o 21.021  7.4976  86.857     48.264   179.617    105.582  62.354     54.265   23.248  10.090  18.221  7.5350  5.027130       12.59317 
1 1 1 -15 -54 34 o 11.792  5.5721  -18.1703   41.951   0.9428     93.316   -23.0116   46.965   16.148  7.8085  12.136  5.7812  4.012100       9.715690 
1 1 1 -15 -54 35 o 11.080  5.2811  -25.0647   39.310   -98.6472   93.214   -9.1480    43.353   13.700  6.8413  12.466  5.8185  1.233953       8.981031 
1 1 1 -15 -54 36 o 24.242  7.5974  114.140    49.706   77.113     104.258  125.032    56.547   18.844  8.8677  24.466  8.1415  -5.622351      12.03833 
1 1 1 -15 -54 37 o 14.712  6.9295  0.8338     63.938   -72.9202   96.996   57.509     85.027   14.440  7.1725  17.988  8.3100  -3.547822      10.97732 
1 1 1 -15 -54 38 o 20.932  8.9534  111.970    80.830   178.591    170.808  92.746     91.754   20.581  10.087  19.534  8.8762  1.047342       13.43654 
1 1 1 -15 -54 39 o 11.178  5.5616  -87.7722   59.314   4.9304     152.723  -104.2387  64.367   17.530  8.7539  11.281  5.6407  6.248966       10.41387 
1 1 1 -15 -54 40 o 15.850  7.3579  22.464     67.849   -165.5381  176.749  54.956     73.479   ?       ?       17.643  7.9878  0.000000       7.987825 
1 1 1 -15 -54 41 o 15.649  7.4144  11.758     75.201   -7.2400    175.891  16.008     83.188   17.518  8.8338  16.121  7.6835  1.397924       11.70779 
1 1 1 -15 -53 22 o 17.026  8.1044  29.704     91.914   8.8945     101.028  129.688    221.450  16.626  8.0609  19.479  9.8333  -2.852581      12.71499 
1 1 1 -15 -53 23 o 16.173  7.5239  21.991     71.559   17.766     99.107   26.593     103.432  16.959  8.1624  17.334  8.3420  -0.3753872     11.67105 
1 1 1 -15 -53 24 o 21.792  8.5982  107.335    67.047   113.611    99.776   102.168    90.534   20.715  9.3496  20.394  9.0778  0.3206520      13.03156 
1 1 1 -15 -53 25 o 22.788  8.4269  111.849    61.709   121.145    100.695  106.258    78.093   21.189  9.4921  21.196  8.9216  -0.6772995E-02 13.02668 
1 1 1 -15 -53 26 o 20.209  8.1613  83.105     61.836   85.291     98.495   81.683     79.443   19.728  9.0519  19.708  8.6489  0.1969337E-01  12.51959 
1 1 1 -15 -53 27 o 16.588  7.3300  34.848     57.986   -14.8428   101.067  59.231     70.797   16.425  7.9860  18.453  8.1295  -2.028078      11.39577 
1 1 1 -15 -53 28 o 10.737  5.1477  -32.2180   38.540   45.680     98.081   -46.4417   41.911   18.308  8.6110  10.577  5.1428  7.730545       10.02988 
1 1 1 -15 -53 29 o 11.918  5.6205  -20.0552   42.287   66.600     90.386   -44.3380   47.847   19.119  8.7347  11.484  5.5627  7.634922       10.35556 
1 1 1 -15 -53 30 o 9.8045  4.8298  -62.2068   40.789   -54.9885   94.326   -63.8670   45.237   15.152  7.4403  10.395  5.1139  4.757188       9.028347 
1 1 1 -15 -53 31 o 17.597  7.1283  49.792     47.330   83.966     102.898  40.621     53.304   19.984  9.2000  16.950  7.2611  3.034088       11.72022 
1 1 1 -15 -53 32 o 13.640  6.1248  6.7583     42.189   16.328     95.541   4.4404     47.022   17.348  8.2591  13.958  6.3470  3.390286       10.41621 
1 1 1 -15 -53 33 f 30.147  7.2124  156.560    52.050   111.760    105.619  170.930    59.819   21.201  9.5897  30.338  8.0086  -9.136358      12.49401 
1 1 1 -15 -53 34 o 12.312  5.7178  -11.1494   41.042   215.029    97.395   -59.9844   45.256   28.005  10.541  10.557  5.1777  17.44838       11.74379 
1 1 1 -15 -53 35 o 31.489  7.0948  168.241    52.907   276.985    107.221  133.242    60.828   31.233  11.171  25.672  8.4394  5.561287       14.00077 
1 1 1 -15 -53 36 o 13.553  6.1647  2.0918     44.402   97.284     95.852   -23.9160   50.101   20.701  9.2682  12.705  6.0288  7.996031       11.05647 
1 1 1 -15 -53 37 o 15.268  6.7519  20.746     49.292   43.058     97.782   13.144     57.074   18.375  8.6282  15.317  6.9758  3.057283       11.09538 
1 1 1 -15 -53 38 o 14.166  6.5549  -1.5197    53.213   318.218    166.536  -37.8769   56.157   26.040  11.881  12.740  6.1348  13.29999       13.37126 
1 1 1 -15 -53 39 o 11.296  5.5450  -64.5509   52.265   401.104    168.243  -114.2890  54.986   28.875  12.631  10.206  5.1193  18.66873       13.62907 
1 1 1 -15 -53 40 o 18.920  8.4815  63.644     80.544   220.726    179.326  23.948     90.148   22.592  10.900  17.367  8.1947  5.225433       13.63645 
1 1 1 -15 -53 41 o 20.201  8.6766  86.120     76.476   41.062     177.656  96.369     84.728   19.224  9.5746  20.656  9.0016  -1.431946      13.14155 
1 1 1 -15 -53 42 o 23.927  9.4510  142.949    81.093   124.739    170.776  148.251    92.144   20.539  10.071  23.404  9.7599  -2.864473      14.02409 
1 1 1 -15 -53 43 o 25.466  8.3436  132.860    59.473   94.932     168.811  138.234    63.548   19.872  9.7962  25.450  8.6312  -5.577986      13.05618 
1 1 1 -15 -53 44 o 14.110  6.5004  3.0217     51.493   -8.7677    112.299  6.1604     57.944   16.856  8.2440  14.785  6.8407  2.071342       10.71257 
1 1 1 -15 -53 45 o 17.439  7.3320  50.625     52.648   75.429     138.253  46.418     56.938   19.162  9.3223  17.183  7.4338  1.978579       11.92337 
1 1 1 -15 -52 19 o 15.899  7.3666  15.390     67.545   -7.6924    86.737   50.956     107.665  15.955  7.6689  18.514  8.8006  -2.558545      11.67317 
1 1 1 -15 -52 20 o 15.947  7.6080  -4.2373    81.969   -7.7666    88.971   15.573     210.791  16.175  7.7725  19.174  9.6688  -2.999014      12.40548 
1 1 1 -15 -52 21 o 17.719  8.3593  28.177     93.724   27.145     102.997  33.145     226.014  17.946  8.5525  19.658  9.9249  -1.711515      13.10151 
1 1 1 -15 -52 22 o 20.379  9.0947  87.400     91.510   52.773     106.247  186.897    180.101  19.000  8.9445  22.251  10.782  -3.250751      14.00883 
1 1 1 -15 -52 23 o 23.152  9.7709  135.792    94.069   129.683    111.261  151.107    176.157  22.172  9.9519  21.736  10.563  0.4357338      14.51246 
1 1 1 -15 -52 24 o 19.580  8.8825  67.025     91.398   -1.4240    107.585  244.548    173.259  17.499  8.4423  24.195  11.400  -6.695927      14.18528 
1 1 1 -15 -52 25 o 13.570  6.6823  -79.9656   77.872   -64.1850   89.630   -128.5549  157.276  14.882  7.2964  16.921  8.5097  -2.039981      11.20954 
1 1 1 -15 -52 26 o 21.350  9.4524  100.222    96.885   81.434     115.980  143.611    176.249  20.472  9.5423  21.940  10.640  -1.467821      14.29177 
1 1 1 -15 -52 27 f 25.569  8.8139  133.924    66.315   117.262    108.233  143.939    83.911   22.055  9.8632  24.762  9.6639  -2.706829      13.80849 
1 1 1 -15 -52 28 o 22.079  7.5673  87.435     48.852   190.980    101.995  56.610     55.650   26.655  10.577  18.679  7.6674  7.976376       13.06369 
1 1 1 -15 -52 29 o 14.177  6.3174  8.8475     43.977   49.235     94.456   -2.3303    49.691   19.079  8.7948  14.014  6.4300  5.064749       10.89463 
1 1 1 -15 -52 30 o 13.772  6.1970  3.9157     43.444   197.569    98.344   -43.0389   48.426   27.625  10.546  11.792  5.6831  15.83287       11.97961 
1 1 1 -15 -52 31 o 12.819  5.9158  -9.5104    42.918   -15.8246   89.888   -7.6459    48.845   16.472  7.8878  13.627  6.2964  2.844950       10.09262 
1 1 1 -15 -52 32 f 15.553  6.6334  25.505     44.134   -51.7262   96.122   46.136     49.680   15.770  7.6944  17.683  7.2498  -1.912283      10.57183 
1 1 1 -15 -52 33 o 13.176  6.0308  -4.8781    43.348   11.737     92.415   -9.5650    49.083   17.587  8.2983  13.551  6.2791  4.036183       10.40619 
1 1 1 -15 -52 34 o 18.697  7.0796  56.708     44.095   62.634     99.623   55.264     49.174   19.826  9.0994  18.557  7.3501  1.269533       11.69715 
1 1 1 -15 -52 35 o 15.552  6.6698  24.602     45.068   -99.0309   95.644   59.888     51.096   14.586  7.2236  19.025  7.5062  -4.439497      10.41743 
1 1 1 -15 -52 36 o 13.699  6.2721  -3.1716    46.936   91.139     94.120   -34.3882   54.150   21.144  9.3411  12.883  6.1566  8.260500       11.18746 
1 1 1 -15 -52 37 o 19.208  7.5812  61.818     52.142   151.708    104.826  32.265     60.105   24.151  10.260  17.043  7.5000  7.107958       12.70874 
1 1 1 -15 -52 38 o 13.303  6.1658  -10.4480   47.376   -13.7479   93.608   -9.3117    54.930   16.750  8.0284  14.167  6.5911  2.582744       10.38738 
1 1 1 -15 -52 39 o 13.068  6.1102  -16.0717   48.148   46.583     99.994   -34.9828   54.936   19.136  8.8997  12.933  6.1860  6.203537       10.83841 
1 1 1 -15 -52 40 o 24.243  8.0164  109.661    54.854   149.714    107.628  95.605     63.756   23.818  10.262  22.070  8.4753  1.747938       13.30967 
1 1 1 -15 -52 41 o ?       ?       -318.0219  48.345   -212.9163  84.234   -369.6493  59.036   11.508  5.8353  ?       ?       0.000000       5.835299 
1 1 1 -15 -52 42 o 17.275  7.8770  27.020     73.057   81.900     175.291  15.484     80.369   20.788  10.195  17.079  7.9549  3.708887       12.93104 
1 1 1 -15 -52 43 o 22.606  9.5099  118.730    88.652   206.826    205.086  98.487     98.312   22.800  11.149  21.229  9.4538  1.570759       14.61738 
1 1 1 -15 -52 44 o 15.636  7.3852  -7.2883    73.529   105.795    192.320  -26.6478   79.574   21.029  10.383  15.313  7.3562  5.715916       12.72484 
1 1 1 -15 -52 45 o 11.311  5.4475  -39.6235   44.312   41.280     141.634  -48.4018   46.654   19.362  9.4233  11.253  5.4609  8.108834       10.89124 
1 1 1 -15 -52 46 o 16.824  7.0774  39.638     49.101   22.517     147.611  41.768     52.066   18.922  9.2950  17.110  7.2476  1.812630       11.78667 
1 1 1 -15 -52 47 o 16.474  6.9574  37.017     47.749   -57.0437   147.931  47.956     50.449   17.360  8.6606  17.515  7.2560  -0.1552105     11.29849 
1 1 1 -15 -52 48 o 16.395  7.6067  18.390     72.376   116.620    143.592  -15.0652   83.799   20.688  9.9233  15.673  7.5344  5.014418       12.45947 
1 1 1 -15 -51 15 o 21.245  8.7304  98.774     72.253   -13.3241   94.785   254.262    111.632  16.287  7.8742  28.479  11.138  -12.19179      13.64008 
1 1 1 -15 -51 16 o 18.230  8.0218  51.758     68.747   67.865     90.628   29.929     105.506  19.390  8.8149  18.185  8.6635  1.204794       12.35955 
1 1 1 -15 -51 17 o 13.599  6.5509  -38.9660   64.166   -16.4898   82.836   -72.6839   101.458  15.824  7.5762  15.347  7.5710  0.4771748      10.71069 
1 1 1 -15 -51 18 f 22.595  8.9650  108.940    73.269   137.085    96.566   70.753     112.480  23.394  9.8878  20.050  9.3626  3.344368       13.61717 
1 1 1 -15 -51 19 o 15.208  7.1121  -5.9605    65.280   18.028     83.608   -43.4225   104.483  17.388  8.1036  16.413  8.0113  0.9741554      11.39511 
1 1 1 -15 -51 20 o 18.219  7.9972  44.994     67.953   72.870     92.262   11.942     100.462  20.239  9.0750  17.949  8.5231  2.290237       12.44980 
1 1 1 -15 -51 21 o 12.832  6.1241  -33.9453   53.219   20.712     80.470   -76.4361   70.951   17.504  8.0856  13.188  6.4714  4.315253       10.35646 
1 1 1 -15 -51 22 o 19.317  8.1268  60.372     64.746   57.652     102.360  62.186     83.594   19.852  9.1526  19.736  8.7570  0.1160622      12.66711 
1 1 1 -15 -51 23 o 12.185  5.8981  -51.2938   53.568   -72.7553   89.267   -39.2159   66.966   14.892  7.2974  14.100  6.7668  0.7921886      9.951952 
1 1 1 -15 -51 24 o 31.476  11.008  246.692    103.613  200.604    124.355  351.325    187.373  26.213  11.156  28.186  12.759  -1.973171      16.94820 
1 1 1 -15 -51 25 o 17.884  8.2998  19.681     86.253   -1.3763    100.902  76.819     166.214  17.769  8.4673  21.329  10.341  -3.559856      13.36506 
1 1 1 -15 -51 26 o 24.471  10.777  162.813    124.318  162.813    124.318  0.0000     0.0000   24.471  10.777  ?       ?       0.000000       10.77700 
1 1 1 -15 -51 27 o 17.646  7.4312  41.229     54.226   55.370     117.791  37.426     61.083   20.248  9.4958  17.672  7.6725  2.576040       12.20808 
1 1 1 -15 -51 28 o 17.588  7.4181  40.445     54.168   50.041     111.065  37.449     62.048   19.944  9.3100  17.727  7.7146  2.216787       12.09092 
1 1 1 -15 -51 29 o 16.419  6.7789  33.277     43.819   -33.5241   109.558  45.998     47.810   17.282  8.3825  17.838  7.1858  -0.5551815     11.04096 
1 1 1 -15 -51 30 o 19.421  7.3862  61.252     48.130   43.350     100.364  66.599     54.848   19.453  9.0015  19.944  7.8050  -0.4909840     11.91407 
1 1 1 -15 -51 31 o 39.918  5.9433  237.447    55.809   299.177    108.589  215.288    65.060   35.343  11.248  35.751  7.7255  -0.4085884     13.64592 
1 1 1 -15 -51 32 o 16.422  6.8459  32.185     45.312   1.0170     93.791   41.674     51.753   17.588  8.3174  17.606  7.3260  -0.1786995E-01 11.08375 
1 1 1 -15 -51 33 o 23.705  7.5401  97.113     48.798   131.542    99.427   86.188     56.008   23.855  10.055  21.924  8.0413  1.930700       12.87506 
1 1 1 -15 -51 34 o 17.115  7.0180  38.807     46.561   33.377     98.499   40.369     52.837   19.023  8.8424  17.550  7.3601  1.473482       11.50475 
1 1 1 -15 -51 35 o 45.486  5.3873  297.844    58.303   329.526    115.314  286.964    67.577   36.652  11.584  42.912  6.7099  -6.260746      13.38681 
1 1 1 -15 -51 36 o 18.997  7.7515  55.835     56.454   -8.8011    102.258  84.172     67.708   17.689  8.4553  21.414  8.5779  -3.724648      12.04458 
1 1 1 -15 -51 37 o 22.205  8.2534  90.136     59.346   47.389     105.954  109.677    71.637   19.796  9.1915  23.465  8.9904  -3.668386      12.85733 
1 1 1 -15 -51 38 o 11.949  5.7419  -42.6608   48.549   -64.3583   97.525   -35.5123   55.978   15.804  7.7194  13.188  6.2904  2.615993       9.957818 
1 1 1 -15 -51 39 o 11.932  5.7314  -42.1814   48.266   -27.1367   94.219   -47.5344   56.200   16.674  8.0088  12.711  6.1248  3.963736       10.08232 
1 1 1 -15 -51 40 o 20.736  7.7612  73.871     52.659   145.677    105.379  49.973     60.793   24.473  10.336  18.625  7.8572  5.848255       12.98313 
1 1 1 -15 -51 41 o 34.008  7.7274  195.550    62.316   296.399    121.931  159.894    72.500   32.790  11.889  28.226  9.2104  4.564476       15.03949 
1 1 1 -15 -51 42 o 32.697  8.0170  186.041    63.116   220.194    123.737  174.031    73.379   27.553  11.385  29.557  9.2257  -2.004122      14.65367 
1 1 1 -15 -51 43 o 17.276  7.8892  19.656     73.633   30.948     189.330  17.644     79.925   20.746  10.254  17.516  8.0797  3.230204       13.05496 
1 1 1 -15 -51 44 o 20.142  8.7954  67.680     81.251   429.446    183.830  -20.1515   90.579   31.544  13.498  16.602  7.9416  14.94208       15.66072 
1 1 1 -15 -51 45 o 16.715  7.8313  1.1960     79.791   0.0000     0.0000   1.1960     79.791   ?       ?       16.715  7.8313  0.000000       7.831272 
1 1 1 -15 -51 46 o 15.924  7.0120  21.215     52.607   -4.1911    175.975  23.708     55.128   19.727  9.7747  16.276  7.1718  3.450998       12.12349 
1 1 1 -15 -51 47 o 13.419  6.8197  -273.5661  119.684  -273.5661  119.684  0.0000     0.0000   13.419  6.8197  ?       ?       0.000000       6.819708 
1 1 1 -15 -51 48 o 19.892  9.5795  49.015     136.964  49.015     136.964  0.0000     0.0000   19.892  9.5795  ?       ?       0.000000       9.579501 
1 1 1 -15 -51 49 f 11.537  5.6356  -60.2792   51.987   -32.7006   123.974  -66.1635   57.265   17.444  8.5586  11.971  5.8615  5.473320       10.37338 
1 1 1 -15 -51 50 o 15.927  7.3966  7.3349     68.669   54.762     247.372  3.3751     71.478   20.394  10.306  15.919  7.4437  4.474217       12.71314 
1 1 1 -15 -50 13 o 22.009  9.4750  111.445    91.590   -90.5633   332.798  127.999    95.269   ?       ?       22.858  9.7472  0.000000       9.747214 
1 1 1 -15 -50 14 o 17.749  8.1510  28.866     80.108   203.374    238.349  6.6428     85.056   22.661  11.254  17.019  8.0091  5.641937       13.81289 
1 1 1 -15 -50 15 o 19.817  8.8121  64.224     85.093   -86.1005   237.277  86.410     91.156   19.640  9.9415  21.051  9.2507  -1.410524      13.57975 
1 1 1 -15 -50 16 o 20.292  8.6907  71.556     76.327   -47.6726   256.871  83.102     79.938   20.442  10.347  21.047  8.9507  -0.6054077     13.68098 
1 1 1 -15 -50 17 o 15.398  7.2719  -17.7858   71.269   -323.6918  302.725  0.1641     73.330   ?       ?       16.335  7.6049  0.000000       7.604949 
1 1 1 -15 -50 18 f 25.420  8.8730  126.635    67.309   159.080    102.969  102.428    88.942   25.470  10.439  22.410  9.4816  3.059673       14.10253 
1 1 1 -15 -50 19 o 21.736  8.7030  87.329     69.665   186.116    95.751   -23.7745   101.545  28.090  10.475  17.266  8.2985  10.82402       13.36386 
1 1 1 -15 -50 20 o 16.645  7.3573  22.515     58.461   145.962    85.901   -83.9960   79.791   25.827  9.8568  13.985  6.8623  11.84201       12.01031 
1 1 1 -15 -50 21 o 16.154  7.2417  14.305     58.721   -6.4295    86.987   31.664     79.593   17.096  8.0618  18.383  8.3189  -1.286703      11.58432 
1 1 1 -15 -50 22 o 34.025  7.9279  196.540    64.238   121.440    101.513  246.701    82.963   23.530  10.049  35.959  9.4023  -12.42836      13.76138 
1 1 1 -15 -50 23 o 62.991  5.6682  574.726    85.706   798.770    132.672  414.270    112.277  68.935  8.0854  45.456  10.404  23.47843       13.17673 
1 1 1 -15 -50 24 f 28.118  8.1800  140.272    59.170   137.158    91.820   142.484    77.378   24.907  9.9848  26.308  9.4816  -1.401625      13.76948 
1 1 1 -15 -50 25 o 13.367  6.2236  -16.8846   49.119   -80.7688   80.940   20.358     61.799   14.207  6.9591  16.775  7.4810  -2.567888      10.21739 
1 1 1 -15 -50 26 o 20.654  8.8653  70.981     79.741   43.863     93.278   144.600    153.690  19.515  8.8991  23.681  11.020  -4.166380      14.16462 
1 1 1 -15 -50 27 o 15.108  6.7169  10.441     49.420   56.242     114.698  -0.0003    54.764   20.560  9.5518  14.951  6.8182  5.609291       11.73560 
1 1 1 -15 -50 28 o 17.035  7.3206  31.267     54.488   32.295     118.190  30.990     61.402   19.813  9.3595  17.429  7.6272  2.384298       12.07371 
1 1 1 -15 -50 29 o 14.237  6.4435  0.1639     47.771   -23.0047   108.199  5.7737     53.241   17.721  8.5290  15.158  6.8368  2.562289       10.93096 
1 1 1 -15 -50 30 o 23.976  8.4515  106.266    61.153   71.372     128.829  116.415    69.480   21.314  9.9750  24.444  8.9578  -3.130024      13.40676 
1 1 1 -15 -50 31 o 26.241  8.5299  127.611    62.205   179.749    124.234  110.165    71.862   25.878  11.085  23.741  9.0263  2.137571       14.29542 
1 1 1 -15 -50 32 o 28.342  7.1314  130.499    49.002   167.352    103.752  119.918    55.593   26.292  10.588  26.074  8.0124  0.2185192      13.27782 
1 1 1 -15 -50 33 o 16.293  6.8229  29.519     45.296   90.063     93.266   10.831     51.817   21.880  9.4898  15.368  6.8522  6.511479       11.70511 
1 1 1 -15 -50 34 o 12.412  5.7703  -17.1948   41.968   -106.4339  92.838   5.7258     47.050   14.546  7.1883  14.549  6.5050  -0.2504349E-02 9.694666 
1 1 1 -15 -50 35 o 25.252  7.4965  107.722    49.261   -5.6730    98.778   145.261    56.833   17.821  8.4590  29.092  7.8636  -11.27110      11.54954 
1 1 1 -15 -50 36 o 15.171  6.6182  15.556     45.904   164.657    98.132   -26.2088   51.936   26.528  10.423  13.229  6.2357  13.29838       12.14553 
1 1 1 -15 -50 37 o 24.538  7.5066  101.867    48.858   65.979     105.086  111.765    55.186   20.835  9.4798  25.156  8.0202  -4.320621      12.41732 
1 1 1 -15 -50 38 o 18.069  7.6062  42.371     56.768   -13.1703   101.300  67.799     68.542   17.732  8.4591  20.369  8.4495  -2.636484      11.95624 
1 1 1 -15 -50 39 o 30.678  7.4325  154.719    54.742   224.521    114.392  133.985    62.344   29.422  11.339  27.040  8.5142  2.382063       14.17936 
1 1 1 -15 -50 40 o 15.286  6.8478  8.1910     52.409   35.273     108.530  -0.0447    59.849   19.752  9.2146  15.471  7.0830  4.280919       11.62235 
1 1 1 -15 -50 41 o 26.908  8.1859  128.404    58.212   180.568    117.715  111.518    66.974   26.478  11.036  24.264  8.8094  2.214767       14.12075 
1 1 1 -15 -50 42 o 21.216  7.8477  76.161     53.527   29.091     114.829  89.228     60.502   19.752  9.2984  22.369  8.3297  -2.617270      12.48371 
1 1 1 -15 -50 43 o 24.158  8.1081  103.544    56.072   261.491    138.229  72.434     61.346   29.533  12.099  20.756  8.2133  8.777498       14.62342 
1 1 1 -15 -50 44 o 33.373  9.9900  227.130    87.214   294.154    159.713  198.652    104.107  29.361  12.573  28.639  10.870  0.7224731      16.62037 
1 1 1 -15 -50 45 o 19.352  8.5700  47.940     79.686   240.697    192.769  8.2137     87.513   25.833  12.125  17.790  8.2908  8.043545       14.68880 
1 1 1 -15 -50 46 o 18.000  8.9441  -99.1836   151.343  -99.1836   151.343  0.0000     0.0000   18.000  8.9441  ?       ?       0.000000       8.944110 
1 1 1 -15 -50 47 o 26.071  11.971  235.164    172.680  235.164    172.680  0.0000     0.0000   26.071  11.971  ?       ?       0.000000       11.97078 
1 1 1 -15 -50 48 o 18.291  7.4305  48.516     51.588   18.625     136.505  53.496     55.720   19.807  9.5445  18.855  7.6982  0.9514618      12.26210 
1 1 1 -15 -50 49 o 14.093  6.2303  8.1494     41.938   -142.0281  136.082  23.909     44.083   16.411  8.2052  15.606  6.6422  0.8040676      10.55669 
1 1 1 -15 -50 50 o 28.496  7.3291  136.072    50.963   -142.8069  137.555  180.442    54.867   16.372  8.1955  33.498  6.9771  -17.12559      10.76315 
1 1 1 -15 -50 51 o 22.665  9.1342  106.846    77.284   289.263    208.260  77.714     83.227   25.160  12.037  20.595  8.9485  4.565664       14.99914 
1 1 1 -15 -50 52 f 21.629  8.6375  92.450     68.422   -4.2110    164.608  112.640    75.229   19.252  9.5242  22.992  9.0962  -3.739571      13.17006 
1 1 1 -15 -49 10 o 16.284  7.3106  20.699     60.073   42.606     86.101   -0.0794    83.855   18.605  8.5095  16.698  7.8867  1.906326       11.60217 
1 1 1 -15 -49 11 f 18.734  8.0317  52.021     65.317   28.202     93.808   74.437     91.001   18.444  8.5918  20.487  9.1113  -2.043438      12.52334 
1 1 1 -15 -49 12 o 16.372  7.3433  17.835     60.463   55.207     84.903   -20.6201   86.124   19.584  8.7487  16.360  7.8032  3.224207       11.72298 
1 1 1 -15 -49 13 o 16.896  7.5347  22.454     62.686   -17.3509   88.681   62.204     88.621   16.741  7.9663  20.183  8.9827  -3.441885      12.00630 
1 1 1 -15 -49 14 o 18.089  8.2200  26.025     78.703   134.525    230.106  11.651     83.755   23.112  11.402  17.681  8.1961  5.431118       14.04186 
1 1 1 -15 -49 15 o 32.185  10.515  226.957    94.476   171.669    245.139  236.602    102.385  23.816  11.753  31.864  10.953  -8.047466      16.06549 
1 1 1 -15 -49 16 o 14.766  7.1330  -54.9135   77.412   20.988     277.073  -61.3400   80.622   22.211  11.186  14.838  7.1956  7.373137       13.30056 
1 1 1 -15 -49 17 o 15.164  7.3252  -54.6303   81.633   217.564    290.499  -77.9671   85.060   24.440  12.184  14.747  7.2043  9.693665       14.15451 
1 1 1 -15 -49 18 o 15.182  7.0961  -16.0930   64.844   -391.4062  286.613  4.1540     66.570   ?       ?       16.343  7.4779  0.000000       7.477860 
1 1 1 -15 -49 19 o 37.511  10.627  292.906    101.125  429.197    293.331  274.523    107.729  27.328  13.357  34.652  11.222  -7.324060      17.44538 
1 1 1 -15 -49 20 o 12.698  6.2125  -77.4911   63.955   0.0000     0.0000   -77.4911   63.955   ?       ?       12.698  6.2125  0.000000       6.212493 
1 1 1 -15 -49 21 o 15.036  6.8480  -0.8662    55.016   5.6230     88.383   -4.9710    70.294   17.864  8.3277  16.178  7.5028  1.685848       11.20900 
1 1 1 -15 -49 22 o 10.124  5.0225  -88.3004   47.005   67.406     77.317   -179.5922  59.202   20.625  8.7876  9.6392  4.8882  10.98565       10.05570 
1 1 1 -15 -49 23 o 15.757  6.9297  15.665     51.240   7.4496     83.427   20.641     64.929   17.646  8.1801  17.145  7.6556  0.5011559      11.20367 
1 1 1 -15 -49 24 o 12.005  5.7935  -51.0058   50.740   46.364     81.860   -111.7547  64.659   19.477  8.6528  11.779  5.8518  7.698213       10.44583 
1 1 1 -15 -49 25 o 19.352  8.3085  51.062     70.075   52.477     92.538   49.160     107.291  20.137  9.0544  20.398  9.3919  -0.2608986     13.04570 
1 1 1 -15 -49 26 o 30.884  7.0934  151.804    52.037   75.612     99.466   180.517    61.060   21.424  9.5268  32.975  7.7606  -11.55089      12.28770 
1 1 1 -15 -49 27 o 21.391  7.4202  75.225     47.037   112.613    98.178   64.086     53.588   23.443  9.9425  20.053  7.7515  3.389568       12.60706 
1 1 1 -15 -49 28 o 13.909  6.2355  1.1770     43.539   53.883     88.687   -15.5600   49.977   20.115  8.9669  13.628  6.3221  6.487451       10.97152 
1 1 1 -15 -49 29 o 27.648  8.5918  138.942    63.721   742.741    124.247  -76.5495   74.226   67.763  7.6930  13.814  6.7446  53.94912       10.23091 
1 1 1 -15 -49 30 o 29.539  8.2200  151.946    61.074   211.801    124.227  132.867    70.136   28.185  11.499  26.339  9.0650  1.845514       14.64273 
1 1 1 -15 -49 31 o 23.007  8.4159  94.479     61.289   100.750    128.873  92.646     69.673   22.760  10.410  22.574  8.8071  0.1858826      13.63597 
1 1 1 -15 -49 32 o 20.625  8.0990  69.562     59.225   101.726    120.746  59.372     67.961   22.800  10.288  19.910  8.3485  2.890009       13.24950 
1 1 1 -15 -49 33 o 21.257  8.2251  76.309     60.385   128.855    123.054  59.642     69.303   23.976  10.632  19.968  8.4047  4.007772       13.55286 
1 1 1 -15 -49 34 o 21.525  7.4235  76.083     47.046   31.566     101.791  88.176     53.053   19.574  9.0601  22.709  7.8802  -3.135145      12.00766 
1 1 1 -15 -49 35 o 23.990  7.4983  96.004     48.455   125.147    101.866  87.482     55.086   24.183  10.185  22.539  8.0131  1.643467       12.95906 
1 1 1 -15 -49 36 o 16.927  6.9390  34.700     45.504   96.213     98.843   18.157     51.259   22.573  9.7800  15.970  6.9794  6.602626       12.01502 
1 1 1 -15 -49 37 o 16.604  6.9446  30.235     46.847   -100.6931  99.306   67.713     53.131   15.328  7.5479  20.463  7.7657  -5.134534      10.82950 
1 1 1 -15 -49 38 o 44.634  7.1394  311.581    74.714   331.666    124.424  300.255    93.434   36.617  12.072  39.855  9.7434  -3.238274      15.51323 
1 1 1 -15 -49 39 o 20.774  7.6258  70.294     50.384   176.008    110.299  42.418     56.639   27.015  10.903  18.226  7.6307  8.788927       13.30835 
1 1 1 -15 -49 40 o 12.118  5.6835  -24.1733   42.221   -18.0040   102.338  -25.4388   46.349   17.848  8.5110  12.637  5.9360  5.210752       10.37656 
1 1 1 -15 -49 41 o 15.738  6.7900  19.467     47.240   54.861     137.714  14.747     50.292   21.412  10.111  15.653  6.8751  5.758327       12.22697 
1 1 1 -15 -49 42 o 24.892  8.1689  108.571    57.001   113.649    126.156  107.269    63.895   23.406  10.543  24.270  8.6298  -0.8642368     13.62482 
1 1 1 -15 -49 43 o 20.532  7.7221  67.855     52.251   129.749    135.630  57.068     56.622   24.032  10.869  19.523  7.8359  4.508631       13.39892 
1 1 1 -15 -49 44 o 21.396  8.7591  76.752     72.383   109.973    129.145  61.537     87.401   23.330  10.574  20.649  9.0665  2.680754       13.92840 
1 1 1 -15 -49 45 o 40.344  13.519  456.171    155.869  456.171    155.869  0.0000     0.0000   40.344  13.519  ?       ?       0.000000       13.51855 
1 1 1 -15 -49 46 o 21.259  10.185  37.219     150.232  37.219     150.232  0.0000     0.0000   21.259  10.185  ?       ?       0.000000       10.18498 
1 1 1 -15 -49 47 o 18.120  8.1386  25.483     74.539   122.864    163.669  -0.0001    83.726   23.691  11.137  17.455  8.1265  6.235249       13.78640 
1 1 1 -15 -49 48 o 17.954  7.8691  31.797     65.577   185.880    153.907  -2.3812    72.486   25.796  11.630  16.532  7.6500  9.263859       13.92076 
1 1 1 -15 -49 49 o 25.058  7.7916  107.109    52.395   171.455    142.059  96.978     56.370   25.416  11.338  23.534  8.1253  1.882727       13.94888 
1 1 1 -15 -49 50 o 19.956  7.4688  63.528     48.763   195.966    132.379  42.736     52.452   26.704  11.441  17.984  7.4202  8.719610       13.63662 
1 1 1 -15 -49 51 o 14.157  6.3513  2.6467     45.254   -8.1882    112.138  4.7545     49.460   18.425  8.8196  14.757  6.6288  3.667064       11.03295 
1 1 1 -15 -49 52 o 16.042  7.3280  6.1685     63.596   51.941     159.038  -2.5438    69.385   21.100  10.201  16.045  7.4456  5.054775       12.62892 
1 1 1 -15 -49 53 o 26.238  9.5114  146.162    78.028   68.330     174.783  165.535    87.200   21.350  10.408  27.051  10.014  -5.700588      14.44334 
1 1 1 -15 -49 54 o 18.000  7.8922  40.887     66.016   -96.5324   167.988  65.986     71.792   18.120  9.0685  19.808  8.4545  -1.688080      12.39825 
1 1 1 -15 -48 8  o 16.194  7.3268  13.788     61.698   58.693     86.591   -32.5220   87.934   19.763  8.8313  16.046  7.7146  3.716860       11.72629 
1 1 1 -15 -48 9  o 20.270  8.2470  68.666     63.670   189.703    89.521   -55.2360   90.574   29.149  10.229  15.663  7.6027  13.48620       12.74534 
1 1 1 -15 -48 10 o 17.421  7.5785  31.252     59.831   -73.9200   83.986   139.633    85.257   14.708  7.1797  25.596  9.8076  -10.88780      12.15476 
1 1 1 -15 -48 11 o 20.997  8.3974  73.967     64.775   39.956     94.243   104.421    89.179   19.612  8.9441  23.073  9.6102  -3.461420      13.12828 
1 1 1 -15 -48 12 o 21.593  8.3397  79.462     61.988   125.278    91.487   40.576     84.284   24.576  9.9262  19.365  8.6791  5.210081       13.18546 
1 1 1 -15 -48 13 o 15.630  6.9935  8.1599     54.490   59.150     78.930   -38.2694   75.317   20.315  8.7706  15.296  7.2960  5.019258       11.40856 
1 1 1 -15 -48 14 o 19.884  7.9646  59.787     58.370   5.9155     87.635   102.742    78.254   18.017  8.3632  23.450  9.2774  -5.433475      12.49049 
1 1 1 -15 -48 15 o 15.726  7.0472  7.5134     55.550   -83.9691   85.269   74.966     73.219   14.738  7.2028  21.369  8.7860  -6.631614      11.36106 
1 1 1 -15 -48 16 o 20.329  8.2598  63.393     63.756   171.142    93.272   -31.1038   87.348   28.233  10.374  16.585  7.8960  11.64774       13.03699 
1 1 1 -15 -48 17 o 24.821  9.5696  120.877    81.512   263.874    277.195  107.341    85.282   25.851  12.706  23.667  9.5751  2.184206       15.91027 
1 1 1 -15 -48 18 o 19.608  8.6360  46.075     79.840   0.0000     0.0000   46.075     79.840   ?       ?       19.608  8.6360  0.000000       8.636029 
1 1 1 -15 -48 19 o 11.062  5.5328  -130.7360  62.126   41.226     252.105  -141.8538  64.103   22.819  11.372  11.044  5.5381  11.77456       12.64850 
1 1 1 -15 -48 20 o 13.846  6.6596  -52.1228   65.674   -152.7307  265.870  -45.5851   67.774   20.933  10.588  14.317  6.8541  6.616118       12.61275 
1 1 1 -15 -48 21 o 20.577  8.6292  64.685     72.619   114.547    198.880  57.014     78.006   23.685  11.439  20.203  8.7207  3.481733       14.38437 
1 1 1 -15 -48 22 o 32.382  9.9778  208.393    86.145   -75.6689   209.079  266.476    94.543   20.648  10.300  36.713  10.231  -16.06542      14.51791 
1 1 1 -15 -48 23 o 13.591  6.5141  -47.3076   61.602   -97.2981   185.836  -41.1362   65.294   19.741  9.8255  14.245  6.7945  5.495427       11.94596 
1 1 1 -15 -48 24 o 21.424  8.1098  75.827     57.849   96.058     96.136   64.344     72.429   22.856  9.7700  20.582  8.6238  2.273411       13.03164 
1 1 1 -15 -48 25 o 16.583  7.3737  15.238     59.573   82.287     89.796   -37.4704   79.617   22.033  9.4310  15.754  7.5109  6.279240       12.05644 
1 1 1 -15 -48 26 o 30.589  7.0731  146.831    51.450   360.113    100.100  70.256     59.979   44.667  9.5266  20.909  8.1676  23.75864       12.54856 
1 1 1 -15 -48 27 o 19.107  7.2150  54.188     45.717   61.785     94.138   51.843     52.298   20.997  9.3058  19.039  7.5678  1.957432       11.99454 
1 1 1 -15 -48 28 o 20.363  7.1509  64.671     43.749   99.167     91.267   54.381     49.849   23.135  9.6862  19.230  7.4642  3.904547       12.22853 
1 1 1 -15 -48 29 o 24.441  7.3471  96.851     47.099   106.952    92.635   93.329     54.696   23.645  9.8170  23.471  8.0074  0.1741047      12.66853 
1 1 1 -15 -48 30 o 22.727  7.4346  83.929     47.227   144.011    96.238   64.871     54.202   26.094  10.299  20.388  7.8181  5.705801       12.93057 
1 1 1 -15 -48 31 o 20.824  8.0941  68.904     58.680   128.036    118.678  49.769     67.510   24.540  10.674  19.465  8.2495  5.074575       13.49060 
1 1 1 -15 -48 32 o 15.949  7.0802  11.333     54.714   -27.7251   113.202  23.238     62.499   18.383  8.8159  17.371  7.6460  1.012238       11.66970 
1 1 1 -15 -48 33 o 21.482  8.2323  75.738     60.075   36.074     121.746  88.503     69.069   20.774  9.7142  22.574  8.7794  -1.799448      13.09364 
1 1 1 -15 -48 34 o 23.219  8.4385  93.489     61.475   175.914    115.976  61.280     72.498   27.271  11.117  20.455  8.6022  6.816235       14.05647 
1 1 1 -15 -48 35 o 22.814  7.7714  86.300     51.519   289.470    128.127  47.116     56.268   33.744  12.195  18.794  7.7116  14.95025       14.42860 
1 1 1 -15 -48 36 o 13.156  6.0564  -13.7284   44.590   125.203    95.660   -52.2934   50.400   24.817  10.104  12.002  5.7876  12.81454       11.64432 
1 1 1 -15 -48 37 o 13.876  6.2203  -0.5043    43.317   92.396     102.074  -20.9089   47.838   22.774  9.9029  13.170  6.1353  9.603848       11.64939 
1 1 1 -15 -48 38 o 11.960  5.5950  -23.3692   40.457   -73.1150   94.901   -12.3203   44.725   15.882  7.7259  13.261  6.0903  2.620850       9.837717 
1 1 1 -15 -48 39 o 21.334  7.5255  73.192     48.495   25.731     103.244  86.627     54.932   19.711  9.1239  22.698  8.0091  -2.986980      12.14043 
1 1 1 -15 -48 40 f 15.053  6.6398  9.1263     47.371   -88.8880   106.031  33.569     52.949   16.275  7.9704  17.458  7.3472  -1.183235      10.84015 
1 1 1 -15 -48 41 o 49.224  5.7847  347.424    67.773   12.311     166.717  413.765    74.179   21.298  10.333  53.751  5.7783  -32.45295      11.83856 
1 1 1 -15 -48 42 o 20.714  7.5442  67.985     49.174   170.339    111.664  43.360     54.770   27.101  10.959  18.388  7.5840  8.713463       13.32759 
1 1 1 -15 -48 43 o 24.343  10.914  127.147    133.426  127.147    133.426  0.0000     0.0000   24.343  10.914  ?       ?       0.000000       10.91412 
1 1 1 -15 -48 44 o 21.783  10.073  61.970     125.349  61.970     125.349  0.0000     0.0000   21.783  10.073  ?       ?       0.000000       10.07267 
1 1 1 -15 -48 45 o 13.035  6.2261  -43.3543   55.236   -0.9227    119.309  -54.9304   62.317   19.498  9.2672  13.422  6.4630  6.076352       11.29830 
1 1 1 -15 -48 46 o 16.355  6.9991  22.910     49.434   -65.0955   123.853  39.587     53.915   18.001  8.7721  18.063  7.4935  -0.6156158E-01 11.53693 
1 1 1 -15 -48 47 o 14.573  6.8406  -25.7770   61.370   208.740    148.454  -74.1153   67.399   27.684  11.990  13.339  6.4938  14.34471       13.63555 
1 1 1 -15 -48 48 o 22.629  8.8112  88.467     69.634   62.114     156.423  94.981     77.764   22.445  10.651  23.073  9.2101  -0.6271839     14.08112 
1 1 1 -15 -48 49 o 15.843  7.1985  0.8455     60.332   41.365     148.811  -7.1248    65.999   21.701  10.325  15.934  7.3474  5.766117       12.67204 
1 1 1 -15 -48 50 o 10.136  4.9807  -69.1786   42.506   -75.7320   114.882  -68.1392   45.753   17.188  8.3916  10.690  5.2352  6.498138       9.890765 
1 1 1 -15 -48 51 o 16.493  6.8896  28.432     46.026   -10.2684   119.636  35.155     49.864   19.137  9.1467  17.367  7.2058  1.769400       11.64414 
1 1 1 -15 -48 52 o 24.534  7.8282  102.024    52.567   97.944     129.477  102.829    57.520   22.912  10.462  24.265  8.2118  -1.353001      13.30027 
1 1 1 -15 -48 53 o 14.455  6.8928  -38.3896   67.105   0.0000     0.0000   -38.3896   67.105   ?       ?       14.455  6.8928  0.000000       6.892830 
1 1 1 -15 -48 54 o 15.353  7.3076  -31.1833   74.703   0.0000     0.0000   -31.1833   74.703   ?       ?       15.353  7.3076  0.000000       7.307595 
1 1 1 -15 -48 55 o 17.152  7.8302  15.810     72.469   0.0000     0.0000   15.810     72.469   ?       ?       17.152  7.8302  0.000000       7.830242 
1 1 1 -15 -47 6  o 29.128  10.634  198.757    97.790   0.0000     0.0000   198.757    97.790   ?       ?       29.128  10.634  0.000000       10.63431 
1 1 1 -15 -47 7  o 17.719  7.7517  31.296     63.374   -16.0306   85.710   88.378     94.130   16.833  7.9573  22.054  9.5496  -5.221159      12.43030 
1 1 1 -15 -47 8  o 20.427  8.3949  65.007     66.810   4.5422     90.968   135.814    98.441   18.095  8.4398  25.135  10.244  -7.040333      13.27265 
1 1 1 -15 -47 9  o 20.317  8.1839  63.371     62.006   -14.1756   90.006   133.419    85.544   17.409  8.2067  25.716  9.8311  -8.306828      12.80626 
1 1 1 -15 -47 10 o 29.075  8.9543  153.395    69.388   154.958    100.418  151.967    95.990   26.736  10.531  26.754  10.365  -0.1751137E-01 14.77623 
1 1 1 -15 -47 11 o 19.587  8.0009  53.830     60.227   15.652     87.135   88.754     83.340   18.602  8.5273  22.624  9.3454  -4.021870      12.65113 
1 1 1 -15 -47 12 o 19.372  7.9180  51.509     59.032   119.199    86.175   -8.3382    81.029   24.851  9.7660  17.161  7.9911  7.689802       12.61871 
1 1 1 -15 -47 13 o 49.253  6.4703  358.348    75.455   621.669    112.586  143.627    101.666  63.135  7.4958  26.094  10.490  37.04050       12.89328 
1 1 1 -15 -47 14 o 27.563  8.6985  134.681    65.042   143.141    100.683  128.621    85.208   26.061  10.453  25.613  9.8070  0.4487057      14.33316 
1 1 1 -15 -47 15 o 12.983  6.1950  -42.7459   54.398   -116.7841  81.574   16.545     72.999   13.616  6.7302  17.774  8.0120  -4.158147      10.46366 
1 1 1 -15 -47 16 o 31.184  7.9377  160.460    60.215   309.621    96.871   66.535     76.869   40.931  9.8689  21.017  8.8492  19.91342       13.25533 
1 1 1 -15 -47 17 o 16.105  7.1266  12.533     55.000   71.807     89.297   -23.6972   69.814   21.610  9.3292  15.532  7.2925  6.077385       11.84125 
1 1 1 -15 -47 18 o 43.533  16.026  697.746    222.750  1196.25    478.288  559.675    251.714  31.987  15.895  34.006  15.137  -2.019156      21.94924 
1 1 1 -15 -47 19 f 15.125  6.8767  -3.2552    55.173   -40.8770   86.036   23.023     71.905   16.281  7.7749  18.079  8.0654  -1.797356      11.20270 
1 1 1 -15 -47 20 o 16.397  7.5719  -6.9323    70.491   256.975    189.161  -49.4911   75.963   28.215  12.791  15.109  7.2395  13.10601       14.69792 
1 1 1 -15 -47 21 o 21.753  8.9181  76.220     75.170   74.403     192.757  76.546     81.633   23.390  11.288  21.856  9.1563  1.534002       14.53483 
1 1 1 -15 -47 22 o 16.481  7.4594  4.7136     64.026   -30.3280   172.002  10.350     68.983   20.880  10.210  17.206  7.7692  3.674334       12.82992 
1 1 1 -15 -47 23 o 25.353  9.3516  119.044    75.900   148.978    183.253  112.846    83.389   25.294  11.856  24.574  9.6219  0.7197685      15.26935 
1 1 1 -15 -47 24 o 17.874  7.9046  22.817     67.566   54.657     171.685  16.983     73.497   22.835  10.926  17.944  8.0687  4.890703       13.58247 
1 1 1 -15 -47 25 o 23.216  7.6749  87.247     50.280   410.766    178.634  59.411     52.399   36.044  14.091  20.020  7.6846  16.02374       16.05032 
1 1 1 -15 -47 26 o 18.686  7.0375  49.251     43.427   46.895     94.632   49.880     48.878   20.666  9.2338  18.954  7.3816  1.712204       11.82163 
1 1 1 -15 -47 27 f 13.746  6.0759  2.2459     39.869   -19.3731   88.871   7.6929     44.609   17.439  8.2006  14.779  6.4835  2.660002       10.45392 
1 1 1 -15 -47 28 o 13.960  6.1791  2.3128     41.374   -44.9047   83.215   17.818     47.686   16.052  7.6603  15.928  6.8467  0.1244993      10.27409 
1 1 1 -15 -47 29 o 35.027  6.3996  180.336    52.385   219.032    103.119  166.876    60.817   32.217  10.995  32.189  7.8558  0.2762604E-01  13.51279 
1 1 1 -15 -47 30 o 17.383  6.9429  36.673     44.216   46.011     92.169   33.882     50.393   20.602  9.1656  17.542  7.2584  3.059612       11.69154 
1 1 1 -15 -47 31 o 15.805  6.6787  20.402     44.044   178.788    91.590   -27.2408   50.233   29.911  10.355  13.278  6.2186  16.63366       12.07915 
1 1 1 -15 -47 32 o 13.924  6.1919  0.5988     42.019   65.055     93.049   -15.9123   47.094   21.660  9.4363  13.491  6.2157  8.168696       11.29952 
1 1 1 -15 -47 33 o 34.394  8.3759  195.931    69.249   268.482    134.223  169.614    80.839   32.773  12.366  30.064  9.7199  2.708849       15.72858 
1 1 1 -15 -47 34 o 16.617  7.2061  19.205     53.758   9.2477     118.240  21.799     60.357   20.194  9.4842  17.354  7.5792  2.839455       12.14060 
1 1 1 -15 -47 35 o 31.263  8.6744  167.394    68.117   93.868     134.296  192.861    79.038   23.692  10.755  32.636  9.4426  -8.944305      14.31211 
1 1 1 -15 -47 36 o 26.062  8.8049  119.250    66.129   118.511    132.860  119.493    76.244   24.657  10.985  25.546  9.3803  -0.8891182     14.44477 
1 1 1 -15 -47 37 o 27.540  7.5279  121.324    51.743   74.757     108.511  135.028    58.866   22.445  9.9672  28.497  8.1199  -6.051826      12.85601 
1 1 1 -15 -47 38 o 19.433  7.3001  54.959     46.669   -11.5328   105.780  71.029     52.004   18.793  8.8706  21.282  7.7572  -2.488302      11.78394 
1 1 1 -15 -47 39 o 13.272  6.0828  -12.7582   44.304   19.731     103.490  -20.0483   49.023   19.814  9.1588  13.476  6.2551  6.338734       11.09100 
1 1 1 -15 -47 40 o 18.693  7.3240  47.822     48.339   67.590     102.787  42.209     54.774   21.889  9.7114  18.478  7.5984  3.410721       12.33072 
1 1 1 -15 -47 41 o 14.721  6.5507  3.4615     47.108   65.719     95.767   -16.4111   54.106   21.601  9.4874  14.305  6.6157  7.296614       11.56621 
1 1 1 -15 -47 42 o 17.784  8.4726  -30.7825   100.928  -30.7825   100.928  0.0000     0.0000   17.784  8.4726  ?       ?       0.000000       8.472564 
1 1 1 -15 -47 43 o 22.063  9.8044  71.142     105.170  71.142     105.170  0.0000     0.0000   22.063  9.8044  ?       ?       0.000000       9.804407 
1 1 1 -15 -47 44 o 19.660  7.7046  55.967     53.502   236.353    224.754  45.131     55.086   27.033  12.811  18.720  7.6498  8.313023       14.92090 
1 1 1 -15 -47 45 o 19.342  7.7729  51.715     55.794   97.721     229.822  48.834     57.514   24.260  11.850  19.157  7.8212  5.103094       14.19830 
1 1 1 -15 -47 46 o 20.907  7.6817  68.146     51.143   308.403    138.946  30.495     55.005   34.466  12.662  17.502  7.4335  16.96328       14.68267 
1 1 1 -15 -47 47 o 15.203  6.6078  12.318     45.408   -10.3483   132.653  15.326     48.328   20.056  9.5984  15.747  6.8306  4.308844       11.78078 
1 1 1 -15 -47 48 o 20.081  8.5057  52.672     71.704   239.998    194.151  23.085     77.159   27.938  12.778  18.539  8.3067  9.398647       15.24086 
1 1 1 -15 -47 49 o 35.916  9.5371  232.928    84.510   218.978    194.778  236.163    93.798   27.357  12.617  34.820  10.346  -7.463301      16.31648 
1 1 1 -15 -47 50 o 16.609  7.4058  10.963     60.532   -121.1918  189.056  26.058     63.896   20.020  9.9557  17.853  7.7975  2.167128       12.64578 
1 1 1 -15 -47 51 o 31.206  7.4452  153.884    55.587   294.506    121.852  116.930    62.465   35.776  11.953  25.965  8.5530  9.810585       14.69776 
1 1 1 -15 -47 52 f 20.530  7.6312  64.927     50.736   171.264    129.524  45.653     55.142   26.896  11.414  18.758  7.6582  8.137829       13.74528 
1 1 1 -15 -47 53 f 9.6104  4.7735  -87.0319   42.953   0.0000     0.0000   -87.0319   42.953   ?       ?       9.6104  4.7735  0.000000       4.773537 
1 1 1 -15 -47 54 o 22.400  9.1727  87.148     79.408   0.0000     0.0000   87.148     79.408   ?       ?       22.400  9.1727  0.000000       9.172699 
1 1 1 -15 -47 55 o 22.658  9.1475  93.012     77.655   48.953     178.850  103.248    86.205   22.084  10.711  23.292  9.5499  -1.207874      14.35029 
1 1 1 -15 -47 56 o 17.950  7.9986  28.509     70.490   80.308     191.715  20.411     75.799   22.498  10.952  17.809  8.0828  4.689131       13.61204 
1 1 1 -15 -46 4  o 19.733  8.8317  46.881     86.961   0.0000     0.0000   46.881     86.961   ?       ?       19.733  8.8317  0.000000       8.831718 
1 1 1 -15 -46 5  o 16.181  7.6740  -28.5897   80.960   0.0000     0.0000   -28.5897   80.960   ?       ?       16.181  7.6740  0.000000       7.674010 
1 1 1 -15 -46 6  o 16.941  7.5338  16.264     62.207   -0.0024    83.669   36.368     93.020   17.662  8.1890  19.824  8.9802  -2.162319      12.15332 
1 1 1 -15 -46 7  o 18.175  7.8085  33.690     61.970   53.015     83.116   9.4999     92.990   20.437  8.9106  18.748  8.6716  1.688484       12.43363 
1 1 1 -15 -46 8  o 18.977  7.8436  45.679     58.756   109.953    82.474   -20.5635   83.727   24.432  9.5682  16.960  7.9703  7.471657       12.45299 
1 1 1 -15 -46 9  o 19.830  8.0438  54.545     60.354   32.227     86.792   75.442     83.983   19.597  8.7933  22.008  9.2571  -2.411509      12.76775 
1 1 1 -15 -46 10 o 22.068  8.5560  78.650     65.442   45.068     95.383   108.519    89.953   20.646  9.2444  24.308  9.8340  -3.661654      13.49692 
1 1 1 -15 -46 11 o 20.444  8.0244  62.061     58.114   14.599     86.316   101.415    78.597   18.718  8.5453  23.907  9.3467  -5.189571      12.66426 
1 1 1 -15 -46 12 o 16.823  7.3337  19.526     56.278   18.390     81.805   20.546     77.543   18.607  8.4258  18.451  8.2929  0.1560993      11.82225 
1 1 1 -15 -46 13 o 19.561  7.8974  52.650     57.884   57.915     84.056   47.902     79.829   20.886  9.0341  20.124  8.7540  0.7627544      12.57960 
1 1 1 -15 -46 14 o 16.198  7.0257  17.319     51.123   51.855     83.092   -3.7174    64.850   20.491  8.9223  16.154  7.3874  4.336266       11.58368 
1 1 1 -15 -46 15 o 11.944  5.6906  -39.8408   45.550   121.542    79.655   -118.2549  55.524   25.546  9.5487  10.615  5.2972  14.93125       10.91960 
1 1 1 -15 -46 16 o 12.644  5.9629  -32.0945   47.610   -100.0745  79.690   5.6379     59.371   13.971  6.8562  16.196  7.2696  -2.224528      9.992720 
1 1 1 -15 -46 17 o 34.752  7.7139  191.568    63.348   140.342    101.433  224.324    81.111   26.279  10.509  35.659  9.2837  -9.379549      14.02221 
1 1 1 -15 -46 18 o 8.2201  4.1594  -129.5705  41.300   -10.1466   68.046   -199.2186  51.965   16.175  7.4591  ?       ?       0.000000       7.459061 
1 1 1 -15 -46 19 o 16.403  7.0896  18.385     51.689   11.470     80.883   23.159     67.202   18.312  8.3259  18.003  7.9262  0.3091831      11.49546 
1 1 1 -15 -46 20 o 34.391  7.6329  185.603    62.031   213.413    97.199   166.492    80.572   32.647  10.665  29.948  9.7061  2.698957       14.42051 
1 1 1 -15 -46 21 o 35.988  7.2897  198.182    61.473   275.316    95.140   142.900    80.544   38.913  10.017  27.740  9.7048  11.17291       13.94717 
1 1 1 -15 -46 22 f 23.597  8.4037  91.410     60.613   147.624    94.308   51.847     79.117   27.474  10.366  20.614  8.8388  6.859907       13.62238 
1 1 1 -15 -46 23 o 16.910  7.5593  8.3130     63.508   -80.2169   164.922  23.726     68.814   20.260  9.9261  18.289  8.0373  1.970753       12.77204 
1 1 1 -15 -46 24 o 11.710  5.7678  -95.1878   58.129   75.201     156.008  -122.6567  62.640   23.915  11.120  11.524  5.7306  12.39093       12.50984 
1 1 1 -15 -46 25 o 27.692  9.6146  138.533    78.981   365.588    177.938  82.823     88.140   35.533  14.011  23.042  9.5719  12.49128       16.96861 
1 1 1 -15 -46 26 o 27.444  9.5227  134.523    77.472   189.556    175.134  121.134    86.384   27.987  12.529  25.911  9.8856  2.075367       15.95947 
1 1 1 -15 -46 27 o 14.481  6.8311  -37.4797   62.553   -44.2360   157.848  -36.2210   68.131   20.930  10.130  15.168  7.1472  5.762181       12.39725 
1 1 1 -15 -46 28 o 14.083  6.2191  1.4510     41.676   93.588     88.725   -24.6328   47.208   23.892  9.7297  13.130  6.1092  10.76219       11.48864 
1 1 1 -15 -46 29 o 33.921  6.1767  164.739    48.966   147.352    96.794   170.719    56.765   27.754  10.494  33.670  7.1680  -5.916794      12.70846 
1 1 1 -15 -46 30 o 36.386  6.0297  187.703    51.370   277.208    103.599  158.521    59.155   38.455  10.708  31.884  7.7271  6.570637       13.20457 
1 1 1 -15 -46 31 o 30.095  7.5315  140.185    54.866   112.616    161.334  143.790    58.343   25.518  11.663  30.162  7.8839  -4.643137      14.07752 
1 1 1 -15 -46 32 o 32.999  7.0901  163.415    55.078   103.030    161.105  171.406    58.609   25.188  11.564  33.525  7.4029  -8.336662      13.73094 
1 1 1 -15 -46 33 o 18.278  7.0271  43.108     43.859   16.355     89.601   51.537     50.296   19.439  8.8090  19.501  7.5176  -0.6193733E-01 11.58070 
1 1 1 -15 -46 34 o 16.803  6.9476  27.099     46.125   38.276     97.854   23.907     52.300   20.933  9.3687  17.080  7.2511  3.852571       11.84700 
1 1 1 -15 -46 35 o 10.965  5.3683  -74.3943   47.998   -97.0875   112.829  -69.3800   53.037   17.149  8.3603  11.906  5.7881  5.242754       10.16845 
1 1 1 -15 -46 36 o 27.592  8.8935  129.954    67.717   227.392    134.645  96.964     78.346   31.169  12.220  24.067  9.3532  7.102367       15.38892 
1 1 1 -15 -46 37 o 20.628  8.2733  58.990     63.069   43.844     130.291  63.625     72.076   22.313  10.301  21.305  8.7333  1.008213       13.50467 
1 1 1 -15 -46 38 o 23.373  7.7322  86.214     51.031   1.3954     136.018  100.109    55.053   21.085  9.9845  24.890  8.0185  -3.804428      12.80571 
1 1 1 -15 -46 39 o 22.698  7.5497  80.399     48.627   33.960     98.183   95.493     55.974   20.567  9.2796  24.260  8.1013  -3.692747      12.31831 
1 1 1 -15 -46 40 o 37.683  8.2399  228.270    73.241   146.094    108.962  295.999    98.921   26.879  10.841  40.436  10.109  -13.55706      14.82325 
1 1 1 -15 -46 41 o 24.440  10.303  106.514    104.394  106.514    104.394  0.0000     0.0000   24.440  10.303  ?       ?       0.000000       10.30252 
1 1 1 -15 -46 42 o 16.835  8.0629  -51.5732   93.996   -51.5732   93.996   0.0000     0.0000   16.835  8.0629  ?       ?       0.000000       8.062905 
1 1 1 -15 -46 43 o 21.179  7.4761  68.797     47.869   -17.9749   99.213   95.127     54.651   18.341  8.6369  24.149  8.0024  -5.807678      11.77430 
1 1 1 -15 -46 44 o 25.775  6.8268  101.336    43.373   133.884    109.061  95.221     47.273   25.872  10.689  24.583  7.3540  1.288185       12.97458 
1 1 1 -15 -46 45 o 11.731  5.5116  -27.9733   40.002   -3.6488    98.216   -32.8106   43.799   18.780  8.7626  12.070  5.7006  6.709216       10.45367 
1 1 1 -15 -46 46 o 21.525  7.7808  72.289     52.164   53.194     142.042  75.266     56.082   22.537  10.523  21.831  8.0407  0.7059498      13.24355 
1 1 1 -15 -46 47 o 14.222  6.3972  -3.2239    46.248   52.684     151.802  -8.9442    48.557   22.746  10.703  14.140  6.4375  8.605726       12.48962 
1 1 1 -15 -46 48 o 16.980  7.0196  29.954     47.075   -6.3693    113.633  37.479     51.722   19.545  9.2160  18.001  7.3908  1.544102       11.81349 
1 1 1 -15 -46 49 f 27.664  9.5865  141.552    78.502   251.686    188.123  118.331    86.383   29.104  13.011  25.292  9.8234  3.812479       16.30256 
1 1 1 -15 -46 50 o 17.421  7.7492  14.676     65.861   93.196     178.659  2.3277     70.851   24.412  11.524  17.134  7.7912  7.277880       13.91097 
1 1 1 -15 -46 51 o 11.986  5.8954  -92.9352   59.995   153.257    176.734  -125.0003  63.782   26.161  12.048  11.570  5.7581  14.59123       13.35367 
1 1 1 -15 -46 52 f 18.150  7.5415  36.627     54.734   0.0000     0.0000   36.627     54.734   ?       ?       18.150  7.5415  0.000000       7.541534 
1 1 1 -15 -46 53 o 21.044  7.8862  67.797     54.401   0.0000     0.0000   67.797     54.401   ?       ?       21.044  7.8862  0.000000       7.886200 
1 1 1 -15 -46 54 f 23.478  7.7891  89.372     51.771   61.075     130.521  94.656     56.398   22.408  10.332  23.895  8.1311  -1.487312      13.14800 
1 1 1 -15 -46 55 o 23.082  9.3170  92.329     80.547   196.041    196.928  71.492     88.268   26.529  12.388  21.757  9.3326  4.771652       15.51020 
1 1 1 -15 -46 56 f 11.775  5.8222  -101.2193  61.203   15.917     170.775  -118.4813  65.558   21.655  10.494  11.838  5.8830  9.816635       12.03083 
1 1 1 -15 -46 57 o 20.768  8.6810  66.922     73.140   35.211     187.268  72.629     79.450   22.029  10.746  21.269  8.9780  0.7598896      14.00302 
1 1 1 -15 -45 2  f 16.120  7.6458  -29.1259   80.397   0.0000     0.0000   -29.1259   80.397   ?       ?       16.120  7.6458  0.000000       7.645778 
1 1 1 -15 -45 3  o 20.107  8.9283  45.698     87.058   0.0000     0.0000   45.698     87.058   ?       ?       20.107  8.9283  0.000000       8.928315 
1 1 1 -15 -45 4  o 23.582  9.7399  99.312     90.510   0.0000     0.0000   99.312     90.510   ?       ?       23.582  9.7399  0.000000       9.739940 
1 1 1 -15 -45 5  o 21.317  8.2336  70.324     60.425   114.882    87.119   29.019     83.880   24.901  9.8086  19.354  8.6673  5.546474       13.08929 
1 1 1 -15 -45 6  o 23.815  8.5724  95.097     63.231   97.404     86.609   92.464     92.529   23.735  9.6329  23.418  9.7744  0.3166561      13.72339 
1 1 1 -15 -45 7  o 23.429  8.6238  91.079     64.497   68.781     88.339   116.535    94.386   21.926  9.3688  25.085  10.100  -3.159513      13.77599 
1 1 1 -15 -45 8  o 25.576  8.7031  111.779    64.613   98.353     92.285   124.688    90.494   23.883  9.8468  25.779  10.043  -1.895609      14.06480 
1 1 1 -15 -45 9  o 20.788  8.1569  63.648     60.030   111.131    86.611   19.748     83.279   24.798  9.7761  18.949  8.5483  5.848310       12.98633 
1 1 1 -15 -45 10 o 25.781  8.3033  111.007    59.035   159.003    88.785   72.969     79.040   28.609  10.173  21.956  9.0879  6.652800       13.64088 
1 1 1 -15 -45 11 o 19.933  7.9338  55.269     57.552   83.786     85.417   31.558     77.886   22.805  9.4440  19.247  8.5006  3.558174       12.70629 
1 1 1 -15 -45 12 o 34.155  7.6731  183.374    62.037   167.171    90.834   197.539    84.931   29.180  10.299  32.625  9.8793  -3.444700      14.27106 
1 1 1 -15 -45 13 o 13.604  6.2516  -15.1911   47.227   33.419     82.956   -38.4993   57.444   19.662  8.7240  13.715  6.4927  5.947534       10.87484 
1 1 1 -15 -45 14 o 15.066  6.7585  -0.4172    51.239   19.307     83.510   -12.3260   64.889   18.977  8.5604  15.848  7.2995  3.128400       11.25001 
1 1 1 -15 -45 15 o 29.462  7.9895  140.170    58.555   259.175    94.212   65.262     74.746   37.651  10.102  21.400  8.8460  16.25073       13.42806 
1 1 1 -15 -45 16 o 21.242  7.8828  68.149     54.093   140.440    88.071   24.359     68.546   27.307  10.073  18.334  8.0401  8.972597       12.88850 
1 1 1 -15 -45 17 o 23.072  8.0472  84.430     55.359   52.019     90.473   103.827    69.990   21.235  9.2764  24.758  9.0031  -3.523834      12.92701 
1 1 1 -15 -45 18 o 17.964  7.5412  31.564     55.558   28.414     95.718   33.165     68.227   20.337  9.1702  18.979  8.1741  1.357761       12.28447 
1 1 1 -15 -45 19 o 33.141  7.6988  170.250    60.725   219.297    95.795   137.299    78.517   34.115  10.523  27.798  9.5900  6.317280       14.23769 
1 1 1 -15 -45 20 o 40.999  6.6078  243.046    63.500   284.861    97.911   212.689    83.425   40.240  10.056  35.082  9.5460  5.158066       13.86546 
1 1 1 -15 -45 21 o 19.582  7.7750  48.930     55.145   40.656     89.451   54.003     70.036   20.839  9.1606  20.735  8.5663  0.1042957      12.54189 
1 1 1 -15 -45 22 o 33.458  7.5868  170.702    60.173   140.847    98.574   188.435    75.970   27.583  10.551  33.602  9.0954  -6.019831      13.93036 
1 1 1 -15 -45 23 o 59.132  5.3668  474.189    76.163   369.814    121.299  542.123    97.859   44.697  11.206  61.576  6.6557  -16.87885      13.03321 
1 1 1 -15 -45 24 o 22.536  8.3521  76.295     60.687   109.614    94.034   52.511     79.447   25.506  10.145  21.213  8.9674  4.293133       13.53994 
1 1 1 -15 -45 25 o 40.678  8.9897  267.029    86.368   194.801    181.983  288.027    98.123   29.258  12.954  41.055  9.9533  -11.79755      16.33636 
1 1 1 -15 -45 26 o 21.028  8.6216  55.121     70.261   64.254     162.243  53.012     77.949   24.702  11.436  21.242  8.9258  3.459826       14.50663 
1 1 1 -15 -45 27 o 34.755  9.5597  204.179    83.137   398.520    175.711  148.123    94.368   39.829  14.295  28.617  10.447  11.21234       17.70546 
1 1 1 -15 -45 28 f 33.735  9.5356  192.398    81.519   343.927    164.107  142.758    93.927   37.708  13.775  28.222  10.404  9.485613       17.26224 
1 1 1 -15 -45 29 o 18.089  8.0087  12.324     69.551   151.087    156.172  -22.0058   77.679   27.949  12.199  17.043  7.8978  10.90668       14.53270 
1 1 1 -15 -45 30 o 12.722  5.8547  -19.3571   41.624   62.928     87.650   -43.3177   47.298   22.388  9.4390  12.285  5.8377  10.10285       11.09840 
1 1 1 -15 -45 31 o 15.231  6.5445  10.446     43.540   99.113     90.703   -16.1038   49.633   24.925  9.9477  14.129  6.4619  10.79525       11.86226 
1 1 1 -15 -45 32 o 45.441  5.2920  278.890    57.256   239.739    108.098  294.156    67.502   35.538  11.214  45.822  6.2330  -10.28407      12.82961 
1 1 1 -15 -45 33 o 37.738  6.1150  199.595    54.078   143.478    106.989  218.852    62.674   27.943  10.910  38.869  6.8979  -10.92693      12.90800 
1 1 1 -15 -45 34 o 14.981  6.5321  5.8488     44.672   -79.6502   95.735   29.647     50.508   16.568  7.9859  17.636  7.2795  -1.068634      10.80579 
1 1 1 -15 -45 35 o 41.073  5.7872  233.092    56.076   305.866    112.661  209.125    64.654   40.706  11.100  37.514  7.3657  3.191956       13.32181 
1 1 1 -15 -45 36 o 21.762  8.4496  67.203     63.896   100.290    130.258  56.718     73.323   25.359  11.103  21.256  8.7719  4.103376       14.15015 
1 1 1 -15 -45 37 o 25.211  8.8598  103.115    67.164   91.477     135.950  106.872    77.250   24.992  11.124  25.390  9.4206  -0.3978634     14.57731 
1 1 1 -15 -45 38 o 62.779  6.3752  556.643    95.765   1024.19    173.108  350.452    114.958  79.865  9.0953  44.019  10.836  35.84532       14.14701 
1 1 1 -15 -45 39 o 20.162  9.6154  -36.6019   130.687  -36.6019   130.687  0.0000     0.0000   20.162  9.6154  ?       ?       0.000000       9.615444 
1 1 1 -15 -45 40 o 33.851  11.385  230.494    110.557  230.494    110.557  0.0000     0.0000   33.851  11.385  ?       ?       0.000000       11.38507 
1 1 1 -15 -45 41 o 26.153  10.480  124.266    101.098  124.266    101.098  0.0000     0.0000   26.153  10.480  ?       ?       0.000000       10.47974 
1 1 1 -15 -45 42 f 17.676  7.2264  33.364     49.184   93.790     98.965   13.544     56.680   24.091  10.086  16.746  7.3282  7.345221       12.46749 
1 1 1 -15 -45 43 o 20.973  7.5670  65.226     49.303   46.693     109.241  69.967     55.250   21.817  9.8209  21.560  7.9734  0.2574291      12.65013 
1 1 1 -15 -45 44 o 15.912  6.5088  24.184     39.928   -53.6665   108.392  36.407     42.949   18.014  8.6356  17.459  6.8839  0.5541725      11.04356 
1 1 1 -15 -45 45 o 12.931  5.8171  -6.6037    38.249   173.684    108.519  -32.1785   40.872   29.007  11.077  11.697  5.5189  17.31011       12.37550 
1 1 1 -15 -45 46 o 18.995  7.2037  49.332     45.699   -51.7934   113.922  68.725     49.888   18.370  8.8186  21.298  7.6199  -2.928377      11.65465 
1 1 1 -15 -45 47 o 24.231  7.7805  93.492     51.865   267.943    127.507  58.906     56.774   34.250  12.190  20.371  7.9495  13.87908       14.55267 
1 1 1 -15 -45 48 o 23.783  7.8363  90.158     52.434   260.222    119.570  49.670     58.342   34.479  11.838  19.579  7.9202  14.89979       14.24312 
1 1 1 -15 -45 49 f 26.606  7.6493  112.175    52.015   195.559    121.157  93.334     57.592   29.709  11.608  23.966  8.2164  5.742987       14.22126 
1 1 1 -15 -45 50 o 23.818  9.3508  95.047     78.931   0.0000     0.0000   95.047     78.931   ?       ?       23.818  9.3508  0.000000       9.350796 
1 1 1 -15 -45 51 o 21.942  8.9858  70.803     76.213   0.0000     0.0000   70.803     76.213   ?       ?       21.942  8.9858  0.000000       8.985807 
1 1 1 -15 -45 52 o 15.004  7.0431  -31.8140   65.070   0.0000     0.0000   -31.8140   65.070   ?       ?       15.004  7.0431  0.000000       7.043070 
1 1 1 -15 -45 53 o 25.473  7.6696  102.688    51.295   73.405     109.435  110.933    58.069   22.944  10.108  26.038  8.2191  -3.094315      13.02766 
1 1 1 -15 -45 54 o 33.309  7.0513  167.249    55.213   56.482     117.931  198.346    62.485   22.343  10.117  36.008  7.3992  -13.66496      12.53415 
1 1 1 -15 -45 55 o 14.244  6.3853  -2.5467    45.654   112.391    102.837  -30.7598   50.950   24.827  10.328  13.258  6.2265  11.56858       12.06014 
1 1 1 -15 -45 56 o 21.892  8.8921  74.029     73.863   -13.5042   188.672  89.873     80.269   22.109  10.785  23.163  9.3181  -1.054373      14.25323 
1 1 1 -15 -45 57 o 20.628  8.6906  58.809     74.213   284.288    189.320  17.870     80.670   29.690  13.176  18.509  8.3755  11.18128       15.61260 
1 1 1 -15 -45 58 o 19.464  8.5584  41.188     78.121   -33.7606   191.313  56.186     85.581   21.210  10.451  20.623  9.0154  0.5867653      13.80194 
1 1 1 -15 -44 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -15 -44 2  o 20.176  9.9293  -86.4815   170.990  0.0000     0.0000   -86.4815   170.990  ?       ?       20.176  9.9293  0.000000       9.929279 
1 1 1 -15 -44 3  o 22.952  9.1643  85.397     77.010   125.370    85.178   -93.5543   180.225  26.066  9.8470  20.569  10.136  5.496500       14.13192 
1 1 1 -15 -44 4  o 35.584  8.1099  201.934    68.464   311.176    101.657  111.255    92.618   41.590  10.160  24.962  10.021  16.62809       14.27056 
1 1 1 -15 -44 5  o 26.344  8.6880  116.921    64.446   133.648    89.740   99.108     92.609   26.780  10.110  24.188  9.9055  2.592155       14.15348 
1 1 1 -15 -44 6  o 18.107  7.6976  30.438     59.082   -14.6335   79.373   86.439     88.475   17.182  7.9698  23.311  9.6292  -6.129440      12.49954 
1 1 1 -15 -44 7  o 21.071  8.2667  64.642     61.650   80.813     85.350   47.001     89.146   22.847  9.4492  20.884  9.1634  1.963293       13.16262 
1 1 1 -15 -44 8  o 42.912  7.1080  275.068    71.420   300.426    105.413  253.550    97.104   40.002  10.665  36.860  10.403  3.142517       14.89893 
1 1 1 -15 -44 9  o 15.935  7.1488  1.6612     57.337   -14.7432   80.384   18.652     81.808   17.236  8.0037  18.947  8.5168  -1.711317      11.68736 
1 1 1 -15 -44 10 o 18.736  7.6150  42.220     54.212   20.175     79.566   61.321     74.064   18.895  8.4529  21.193  8.7868  -2.298512      12.19259 
1 1 1 -15 -44 11 o 26.422  8.3101  114.689    59.410   162.292    86.513   72.207     81.728   29.460  10.070  22.222  9.2232  7.237129       13.65578 
1 1 1 -15 -44 12 o 21.543  7.8920  70.080     53.923   111.006    87.112   44.657     68.658   25.154  9.8384  19.812  8.3536  5.342157       12.90650 
1 1 1 -15 -44 13 o 17.216  7.1300  28.909     48.690   -63.2394   79.935   83.266     61.394   15.385  7.3862  22.987  8.4209  -7.601591      11.20124 
1 1 1 -15 -44 14 o 11.641  5.5943  -51.2244   46.121   -109.3793  76.571   -18.1112   57.779   13.622  6.6920  14.928  6.8801  -1.305532      9.597861 
1 1 1 -15 -44 15 o 33.709  7.7676  175.331    62.226   138.884    98.163   199.817    80.458   27.364  10.515  34.221  9.4010  -6.856682      14.10438 
1 1 1 -15 -44 16 o 43.664  6.2658  269.505    64.481   222.984    103.146  299.349    82.614   34.142  10.973  44.204  7.9968  -10.06215      13.57789 
1 1 1 -15 -44 17 f 14.833  6.6753  -6.0997    50.428   -164.9509  88.666   69.848     61.308   13.643  6.7900  21.931  8.3374  -8.287777      10.75248 
1 1 1 -15 -44 18 o 22.029  7.8287  71.567     52.576   102.379    82.088   50.136     68.460   25.098  9.6220  20.576  8.4819  4.522362       12.82679 
1 1 1 -15 -44 19 f 43.598  6.3829  267.793    65.523   299.918    103.781  246.500    84.491   41.661  10.320  39.085  9.0822  2.575588       13.74737 
1 1 1 -15 -44 20 o 23.330  8.0403  82.026     55.184   164.888    88.844   29.976     70.414   30.591  10.206  19.358  8.3205  11.23312       13.16807 
1 1 1 -15 -44 21 o 36.653  7.1230  195.598    61.066   166.691    99.670   212.971    77.266   30.279  10.777  36.674  8.7962  -6.395384      13.91105 
1 1 1 -15 -44 22 o 16.196  7.1692  2.5471     55.709   -32.1345   86.260   27.364     72.967   17.554  8.1977  19.465  8.4183  -1.911663      11.75031 
1 1 1 -15 -44 23 o 26.753  6.9033  104.380    45.112   115.553    92.817   100.925    51.619   26.526  10.216  25.875  7.6720  0.6509571      12.77606 
1 1 1 -15 -44 24 o 27.071  7.0342  107.260    46.625   184.948    94.396   82.192     53.622   32.436  10.505  23.516  7.9288  8.920214       13.16141 
1 1 1 -15 -44 25 f 29.383  6.7322  124.059    46.967   116.479    96.248   126.428    53.809   26.708  10.370  29.106  7.5537  -2.397717      12.82974 
1 1 1 -15 -44 26 o 48.238  6.6616  326.723    75.889   353.401    110.728  303.091    104.216  46.295  10.138  42.634  10.209  3.661850       14.38786 
1 1 1 -15 -44 27 o 32.398  9.4981  171.956    79.500   182.334    166.733  168.902    90.444   30.262  12.900  31.348  10.290  -1.085884      16.50103 
1 1 1 -15 -44 28 o 23.368  9.0211  77.400     72.507   110.150    155.652  68.324     81.940   27.169  12.007  22.970  9.3519  4.198021       15.21937 
1 1 1 -15 -44 29 o 28.749  9.4088  134.202    75.636   188.322    151.085  116.102    87.373   30.810  12.639  26.807  10.004  4.003458       16.11915 
1 1 1 -15 -44 30 o 22.383  8.9016  65.568     72.393   127.276    152.953  47.755     82.180   27.878  12.122  21.574  9.1203  6.303980       15.17000 
1 1 1 -15 -44 31 o 23.310  7.5289  79.530     48.512   22.568     144.501  86.765     51.501   23.562  10.867  24.182  7.7519  -0.6199493     13.34852 
1 1 1 -15 -44 32 o 38.866  5.7793  206.011    52.842   91.458     106.253  243.655    60.909   25.257  10.502  42.019  6.1567  -16.76249      12.17381 
1 1 1 -15 -44 33 o 51.123  4.9992  345.390    61.219   387.229    115.814  329.166    72.118   48.552  10.157  48.840  6.2273  -0.2878990     11.91424 
1 1 1 -15 -44 34 o 27.755  7.1153  112.774    48.142   137.664    101.878  105.618    54.626   28.283  10.749  26.406  7.9067  1.876207       13.34355 
1 1 1 -15 -44 35 o 33.046  6.8055  156.481    52.751   192.883    107.144  144.833    60.606   32.383  11.201  30.836  8.0233  1.547482       13.77799 
1 1 1 -15 -44 36 o 23.216  7.3790  79.166     46.742   122.866    90.370   63.206     54.615   27.172  10.168  21.386  7.9238  5.785654       12.89078 
1 1 1 -15 -44 37 o 19.009  7.7947  36.934     57.440   -75.1427   95.625   100.203    71.847   16.889  8.1001  25.280  9.1325  -8.391541      12.20719 
1 1 1 -15 -44 38 o 37.990  13.649  329.424    160.225  329.424    160.225  0.0000     0.0000   37.990  13.649  ?       ?       0.000000       13.64895 
1 1 1 -15 -44 39 o 30.847  12.360  196.847    140.605  196.847    140.605  0.0000     0.0000   30.847  12.360  ?       ?       0.000000       12.35960 
1 1 1 -15 -44 40 f 30.848  12.461  201.413    144.182  201.413    144.182  0.0000     0.0000   30.848  12.461  ?       ?       0.000000       12.46060 
1 1 1 -15 -44 41 o 27.928  7.6587  119.096    53.455   197.470    109.265  94.436     61.290   31.988  11.295  24.584  8.4734  7.404068       14.11978 
1 1 1 -15 -44 42 o 12.845  5.6623  -1.5702    34.394   34.199     102.578  -6.1008    36.507   21.453  9.5974  12.821  5.7314  8.631808       11.17852 
1 1 1 -15 -44 43 o 46.025  4.9173  282.905    54.063   125.621    125.115  319.016    59.949   26.539  11.238  48.682  5.1535  -22.14364      12.36326 
1 1 1 -15 -44 44 o 34.403  5.9332  166.015    47.739   251.014    119.226  149.785    52.098   34.932  11.823  31.862  6.9356  3.069754       13.70681 
1 1 1 -15 -44 45 o 22.531  7.0271  75.834     42.581   59.172     110.941  78.713     46.113   22.723  10.085  22.813  7.3376  -0.8932686E-01 12.47192 
1 1 1 -15 -44 46 o 16.993  6.6656  33.367     40.075   10.770     110.681  36.777     42.992   20.561  9.4925  17.594  6.9031  2.966566       11.73714 
1 1 1 -15 -44 47 o 23.993  7.7194  89.760     51.035   193.086    118.117  66.043     56.590   30.281  11.558  21.251  8.0267  9.029886       14.07176 
1 1 1 -15 -44 48 o 25.792  7.7649  104.794    52.579   118.998    122.589  101.592    58.205   25.670  11.004  25.090  8.2558  0.5800648      13.75691 
1 1 1 -15 -44 49 o 21.898  7.9820  72.775     55.062   0.0000     0.0000   72.775     55.062   ?       ?       21.898  7.9820  0.000000       7.982018 
1 1 1 -15 -44 50 o 12.621  5.9778  -38.9729   48.817   0.0000     0.0000   -38.9729   48.817   ?       ?       12.621  5.9778  0.000000       5.977766 
1 1 1 -15 -44 51 o 37.297  10.404  255.120    97.718   0.0000     0.0000   255.120    97.718   ?       ?       37.297  10.404  0.000000       10.40426 
1 1 1 -15 -44 52 o 19.144  8.0349  39.071     63.050   -34.4054   130.382  61.499     72.033   20.036  9.5690  21.302  8.7314  -1.266140      12.95383 
1 1 1 -15 -44 53 o 61.514  4.9949  508.084    73.909   496.595    176.110  510.540    81.427   44.682  14.336  60.969  5.5656  -16.28682      15.37844 
1 1 1 -15 -44 54 o 33.196  7.1240  165.014    55.664   159.309    116.286  166.710    63.399   28.113  11.248  32.446  8.0829  -4.333515      13.85140 
1 1 1 -15 -44 55 o 30.815  7.4881  146.115    55.439   68.108     112.498  171.134    63.712   22.985  10.181  32.882  8.0502  -9.896664      12.97885 
1 1 1 -15 -44 56 f 18.057  8.1546  8.2959     76.021   -6.7142    183.317  11.413     83.544   22.642  10.947  18.768  8.5053  3.874060       13.86316 
1 1 1 -15 -44 57 o 19.381  8.4369  35.157     74.254   108.768    192.328  22.262     80.495   25.258  11.934  19.022  8.5066  6.235626       14.65534 
1 1 1 -15 -44 58 o 19.758  8.5025  43.786     73.691   -91.4512   195.607  66.154     79.552   20.979  10.379  21.477  9.0203  -0.4980698     13.75098 
1 1 1 -15 -44 59 o 23.606  9.5136  99.157     83.841   139.482    203.863  90.949     91.980   25.142  11.996  23.040  9.6893  2.101915       15.42012 
1 1 1 -15 -43 1  o 20.796  10.117  -58.7922   162.737  0.0000     0.0000   -58.7922   162.737  ?       ?       20.796  10.117  0.000000       10.11666 
1 1 1 -15 -43 2  o 28.244  9.8775  144.884    83.430   139.405    93.342   166.648    186.044  27.330  10.312  27.386  12.519  -0.5673218E-01 16.21961 
1 1 1 -15 -43 3  o 14.580  6.9135  -44.8034   65.655   -41.0328   70.761   -68.1331   176.014  15.310  7.2351  21.326  10.407  -6.016677      12.67458 
1 1 1 -15 -43 4  o 12.331  6.0363  -88.1451   60.611   -78.4921   64.579   -159.5385  175.625  13.166  6.3974  19.670  9.7499  -6.503933      11.66133 
1 1 1 -15 -43 5  o 24.501  9.4358  100.323    79.179   128.714    87.203   -32.9842   188.962  26.709  9.9894  22.444  10.914  4.264894       14.79548 
1 1 1 -15 -43 6  o 21.793  9.0965  64.539     80.144   8.1078     89.767   286.216    177.918  19.117  8.7226  32.229  13.511  -13.11197      16.08171 
1 1 1 -15 -43 7  o 50.063  9.1308  410.768    106.828  405.766    123.578  425.558    212.504  46.740  11.068  36.133  14.924  10.60718       18.58009 
1 1 1 -15 -43 8  o 15.291  6.8630  -2.1961    52.910   12.068     76.672   -15.1649   73.107   18.398  8.2595  16.704  7.7130  1.693840       11.30087 
1 1 1 -15 -43 9  f 25.789  8.4636  108.382    61.187   119.772    90.713   98.873     82.880   25.994  10.075  24.438  9.5859  1.556015       13.90649 
1 1 1 -15 -43 10 o 20.025  7.7328  54.285     53.289   26.195     81.386   75.365     70.503   19.588  8.6683  22.478  8.8334  -2.890255      12.37613 
1 1 1 -15 -43 11 o 23.552  7.9047  85.736     53.294   88.552     80.797   83.566     70.907   23.782  9.4211  23.262  8.9368  0.5208397      12.98553 
1 1 1 -15 -43 12 o 19.656  7.5292  51.042     50.236   70.395     83.508   40.066     62.888   22.605  9.3477  19.402  8.0746  3.203781       12.35228 
1 1 1 -15 -43 13 o 18.606  7.1077  43.620     44.693   -64.5955   80.104   92.531     53.854   15.565  7.4517  24.500  7.9347  -8.934793      10.88520 
1 1 1 -15 -43 14 o 30.890  7.8377  146.009    58.840   134.305    92.644   153.922    76.177   27.719  10.310  30.309  9.3900  -2.590523      13.94537 
1 1 1 -15 -43 15 o 19.427  7.5779  46.470     51.574   64.344     83.850   35.593     65.411   22.508  9.3419  19.433  8.1715  3.074808       12.41148 
1 1 1 -15 -43 16 o 35.091  7.2570  180.117    59.749   223.232    96.549   153.356    76.064   35.740  10.464  30.496  9.3724  5.244404       14.04774 
1 1 1 -15 -43 17 o 18.688  7.4957  37.774     51.776   26.510     81.130   45.514     67.252   20.103  8.7831  20.436  8.4134  -0.3334618     12.16254 
1 1 1 -15 -43 18 o 19.971  7.6461  50.276     51.793   10.001     84.335   74.665     65.628   19.488  8.7115  22.932  8.6481  -3.443817      12.27522 
1 1 1 -15 -43 19 o 31.558  7.6704  147.897    58.161   165.498    92.958   136.575    74.557   31.032  10.440  29.110  9.3266  1.922062       13.99897 
1 1 1 -15 -43 20 o 20.387  7.8040  52.380     53.948   137.795    88.148   1.2265     68.215   28.824  10.148  17.634  7.8622  11.19058       12.83747 
1 1 1 -15 -43 21 o 25.306  8.3417  96.161     59.413   -2.5664    88.655   176.649    80.048   19.357  8.7680  33.130  9.4787  -13.77266      12.91210 
1 1 1 -15 -43 22 o 23.025  7.1238  75.899     43.861   165.912    89.069   47.084     50.395   31.542  10.203  19.691  7.5415  11.85025       12.68774 
1 1 1 -15 -43 23 o 16.593  6.6805  24.939     41.294   92.148     86.200   4.9222     47.043   25.212  9.8072  15.484  6.7277  9.728057       11.89304 
1 1 1 -15 -43 24 o 20.826  7.1522  59.225     43.648   84.485     89.176   51.266     50.054   24.754  9.8687  20.164  7.5630  4.590616       12.43338 
1 1 1 -15 -43 25 o 10.086  4.8875  -54.4172   37.025   -6.9918    83.303   -66.0922   41.332   18.795  8.5074  10.383  5.0613  8.411792       9.899113 
1 1 1 -15 -43 26 o 18.695  6.9485  42.610     42.062   -69.1513   89.082   74.675     47.716   16.770  7.9812  22.917  7.4718  -6.147984      10.93286 
1 1 1 -15 -43 27 o 33.078  6.2425  150.843    48.266   58.665     93.988   183.860    56.250   23.298  9.7960  36.340  6.6233  -13.04236      11.82491 
1 1 1 -15 -43 28 o 39.441  7.4455  222.577    68.642   183.621    99.239   258.311    95.046   32.931  10.777  40.343  9.8055  -7.411598      14.57044 
1 1 1 -15 -43 29 o 22.888  8.8750  68.310     70.420   92.617     140.400  60.140     81.399   26.892  11.654  22.767  9.3009  4.124636       14.91017 
1 1 1 -15 -43 30 o 25.355  9.1601  94.840     72.282   41.702     142.152  113.370    83.944   24.790  11.177  27.105  9.8593  -2.314680      14.90416 
1 1 1 -15 -43 31 o 27.902  9.3764  121.015    74.987   60.262     144.234  143.519    87.783   25.600  11.422  29.751  10.144  -4.151251      15.27626 
1 1 1 -15 -43 32 f 14.853  6.9017  -33.5561   59.936   45.765     131.296  -54.4364   67.364   24.441  10.902  14.858  7.0331  9.582311       12.97342 
1 1 1 -15 -43 33 o 19.355  7.2227  46.254     45.537   3.9267     90.200   60.732     52.753   19.952  8.9576  21.362  7.8089  -1.410639      11.88351 
1 1 1 -15 -43 34 o 10.370  5.0391  -61.0191   40.092   -130.7071  80.786   -38.2476   46.180   13.931  6.8497  12.544  5.9027  1.386679       9.042135 
1 1 1 -15 -43 35 o 12.454  5.8132  -31.0405   43.290   -33.7013   87.933   -30.1893   49.735   17.980  8.3565  13.543  6.2911  4.436967       10.45985 
1 1 1 -15 -43 36 o 25.181  7.4776  92.582     49.007   98.671     98.179   90.562     56.557   25.927  10.349  24.761  8.1376  1.165812       13.16515 
1 1 1 -15 -43 37 f 39.664  10.767  267.494    106.284  267.494    106.284  0.0000     0.0000   39.664  10.767  ?       ?       0.000000       10.76720 
1 1 1 -15 -43 38 o 20.019  9.0783  0.3085     95.368   0.3085     95.368   0.0000     0.0000   20.019  9.0783  ?       ?       0.000000       9.078321 
1 1 1 -15 -43 39 o 30.359  9.0113  145.908    71.185   106.562    136.516  160.601    83.425   26.900  11.574  31.153  9.8535  -4.253073      15.20041 
1 1 1 -15 -43 40 o 17.243  7.5514  8.7740     60.287   30.785     137.859  3.5692     67.037   23.631  10.793  17.609  7.8262  6.021685       13.33149 
1 1 1 -15 -43 41 o 21.387  7.7482  63.479     51.769   131.564    135.524  51.847     56.017   27.877  11.744  20.356  7.9094  7.520420       14.15932 
1 1 1 -15 -43 42 o 21.918  6.9098  68.991     41.051   132.539    110.316  58.777     44.227   27.761  11.005  20.572  7.1918  7.189032       13.14642 
1 1 1 -15 -43 43 o 27.434  6.8621  109.590    45.563   242.046    120.447  87.471     49.220   35.206  11.883  24.204  7.5560  11.00232       14.08201 
1 1 1 -15 -43 44 o 16.389  6.6451  25.059     41.173   187.544    109.296  -1.8125    44.447   31.463  11.276  14.424  6.3934  17.03851       12.96256 
1 1 1 -15 -43 45 o 16.064  6.5157  23.878     39.599   -0.9300    111.760  27.440     42.346   20.587  9.5167  16.720  6.7532  3.867289       11.66932 
1 1 1 -15 -43 46 o 14.603  6.4733  -0.7267    45.574   304.715    115.764  -56.7482   49.578   40.310  11.352  12.018  5.7817  28.29183       12.73994 
1 1 1 -15 -43 47 o 32.932  6.5233  155.965    50.281   180.651    116.480  150.312    55.742   30.098  11.480  31.600  7.4002  -1.501865      13.65853 
1 1 1 -15 -43 48 o 16.464  7.0853  15.523     51.181   0.0000     0.0000   15.523     51.181   ?       ?       16.464  7.0853  0.000000       7.085310 
1 1 1 -15 -43 49 o 26.460  8.4071  112.824    60.679   0.0000     0.0000   112.824    60.679   ?       ?       26.460  8.4071  0.000000       8.407124 
1 1 1 -15 -43 50 o 15.778  6.9065  8.1090     50.371   0.0000     0.0000   8.1090     50.371   ?       ?       15.778  6.9065  0.000000       6.906510 
1 1 1 -15 -43 51 o 51.859  5.2283  363.833    64.891   486.968    125.538  318.937    75.803   53.513  10.037  46.871  6.8691  6.641972       12.16243 
1 1 1 -15 -43 52 o 22.050  8.7519  69.861     69.852   67.667     131.011  70.733     82.567   23.752  10.718  22.482  9.2957  1.269844       14.18727 
1 1 1 -15 -43 53 o 17.685  7.6848  19.118     61.389   17.224     127.446  19.690     70.052   21.748  10.092  18.446  8.1077  3.301908       12.94523 
1 1 1 -15 -43 54 o 21.939  7.5177  71.703     48.213   141.149    102.716  52.078     54.602   27.606  10.715  19.934  7.7913  7.671389       13.24798 
1 1 1 -15 -43 55 o 15.764  6.8327  10.838     48.282   -69.2596   105.047  32.291     54.365   17.562  8.4406  18.113  7.5203  -0.5511150     11.30480 
1 1 1 -15 -43 56 o 11.247  5.4058  -49.6291   43.094   -83.2709   102.357  -42.3812   47.510   16.902  8.1744  12.306  5.8486  4.596458       10.05121 
1 1 1 -15 -43 57 o 20.865  8.7696  52.833     75.279   39.300     194.808  55.209     81.620   24.259  11.616  21.304  9.0517  2.955530       14.72611 
1 1 1 -15 -43 58 o 21.307  9.0526  57.340     81.627   121.954    198.777  44.234     89.523   26.018  12.244  20.871  9.1696  5.147362       15.29695 
1 1 1 -15 -43 59 o 25.792  9.6342  119.763    81.061   371.391    206.968  74.170     88.099   33.250  14.277  22.389  9.4525  10.86105       17.12284 
1 1 1 -15 -42 1  o 20.145  7.8265  54.286     54.845   86.299     74.669   16.781     80.820   23.545  9.1364  19.098  8.5333  4.447166       12.50163 
1 1 1 -15 -42 2  o 25.820  8.4412  107.208    60.886   136.094    88.499   81.250     83.895   27.595  10.110  23.309  9.4732  4.285303       13.85485 
1 1 1 -15 -42 3  o 28.953  10.184  152.469    88.746   73.997     100.055  441.921    192.163  23.212  9.9458  39.761  14.837  -16.54944      17.86230 
1 1 1 -15 -42 4  o 20.027  8.5571  40.511     73.688   47.457     80.762   5.9903     180.039  20.866  8.9381  23.305  11.161  -2.438593      14.29868 
1 1 1 -15 -42 5  o 31.044  10.086  173.908    86.972   183.154    98.587   141.458    184.693  31.012  10.743  27.094  12.418  3.918348       16.42044 
1 1 1 -15 -42 6  o 26.866  9.8999  126.471    85.032   106.198    95.969   200.515    183.410  25.187  10.169  29.176  12.957  -3.989586      16.47102 
1 1 1 -15 -42 7  o 13.713  6.6961  -95.9360   73.205   -186.7126  81.009   308.303    170.948  12.370  6.2060  34.615  13.707  -22.24521      15.04601 
1 1 1 -15 -42 8  o 18.957  8.4307  16.516     77.908   -43.2032   86.424   275.515    179.980  16.935  8.0011  32.716  13.642  -15.78044      15.81487 
1 1 1 -15 -42 9  o 46.159  9.2487  343.720    99.976   389.110    116.282  215.059    195.772  47.663  10.351  30.091  13.374  17.57194       16.91176 
1 1 1 -15 -42 10 o 62.207  8.1086  582.750    119.481  514.162    142.494  745.161    219.270  53.796  11.277  55.942  15.578  -2.145405      19.23137 
1 1 1 -15 -42 11 o 19.491  7.6092  46.579     52.034   58.388     86.800   39.955     65.009   22.285  9.3944  19.767  8.2168  2.518429       12.48074 
1 1 1 -15 -42 12 o 21.198  7.6074  62.780     49.761   92.024     80.100   44.401     63.501   24.647  9.4909  20.093  8.2125  4.553400       12.55077 
1 1 1 -15 -42 13 o 58.178  5.3844  452.026    75.147   492.489    116.528  423.217    98.324   56.864  8.7240  53.797  7.7566  3.067287       11.67361 
1 1 1 -15 -42 14 o 32.379  7.4877  153.958    57.655   65.094     90.283   215.155    74.921   23.195  9.6660  37.630  8.4164  -14.43423      12.81664 
1 1 1 -15 -42 15 o 13.210  6.1091  -25.5995   46.123   -76.0759   80.206   -0.6608    56.377   15.474  7.4208  16.227  7.1961  -0.7529135     10.33698 
1 1 1 -15 -42 16 o 20.914  7.6349  58.155     50.406   108.244    80.707   26.122     64.542   26.472  9.6614  19.001  8.0603  7.470123       12.58216 
1 1 1 -15 -42 17 o 19.175  7.5316  40.893     51.230   72.721     85.839   23.284     63.847   23.809  9.6155  18.780  7.9932  5.028946       12.50396 
1 1 1 -15 -42 18 o 30.468  7.6246  135.534    56.231   156.649    90.041   122.034    71.996   30.902  10.273  28.089  9.1790  2.813435       13.77646 
1 1 1 -15 -42 19 o 14.852  6.5913  -4.9502    47.382   5.0303     81.219   -10.0997   58.339   19.323  8.5999  15.993  7.1902  3.330360       11.20965 
1 1 1 -15 -42 20 o 25.406  7.9307  93.940     54.223   87.781     89.801   97.473     68.023   25.280  9.9583  25.714  8.9230  -0.4331760     13.37116 
1 1 1 -15 -42 21 o 15.223  6.3818  12.333     39.701   212.087    85.111   -43.2177   44.883   36.987  9.4491  12.119  5.7376  24.86866       11.05465 
1 1 1 -15 -42 22 o 18.068  6.8269  37.204     40.946   -40.1992   84.802   60.735     46.758   17.601  8.1891  21.285  7.3973  -3.683758      11.03545 
1 1 1 -15 -42 23 o 32.888  6.1214  147.244    47.051   117.469    93.064   157.468    54.534   27.836  10.338  33.554  6.9278  -5.717800      12.44429 
1 1 1 -15 -42 24 o 19.753  7.0294  49.797     42.401   67.899     88.217   44.358     48.353   23.970  9.7242  19.509  7.4072  4.461296       12.22400 
1 1 1 -15 -42 25 o 27.032  6.9235  102.847    45.612   111.912    92.409   99.927     52.446   27.465  10.281  26.351  7.7114  1.113716       12.85172 
1 1 1 -15 -42 26 o 23.339  7.2021  76.171     44.863   142.074    91.783   55.482     51.426   30.051  10.368  20.952  7.7022  9.098886       12.91627 
1 1 1 -15 -42 27 o 33.850  6.1597  155.531    48.728   234.902    92.054   124.633    57.435   38.969  9.7574  29.312  7.8977  9.657520       12.55312 
1 1 1 -15 -42 28 o 69.225  4.2090  608.809    70.362   553.490    122.325  636.162    86.016   62.155  8.3197  70.044  5.0960  -7.888588      9.756343 
1 1 1 -15 -42 29 o 71.607  4.2393  651.700    73.329   612.812    126.968  671.162    89.823   65.625  8.1491  71.874  5.1854  -6.248878      9.659007 
1 1 1 -15 -42 30 o 27.253  9.2963  110.254    73.723   60.400     148.238  126.637    84.977   26.422  11.695  28.766  9.9737  -2.343891      15.37063 
1 1 1 -15 -42 31 f 17.158  7.6890  -8.8349    66.137   135.536    131.400  -57.8188   76.539   29.643  11.923  16.014  7.5547  13.62890       14.11489 
1 1 1 -15 -42 32 o 18.681  8.0747  13.863     67.059   43.963     132.432  3.4832     77.767   24.962  11.052  19.107  8.4637  5.854647       13.92016 
1 1 1 -15 -42 33 o 18.830  8.3683  0.8799     76.628   0.0000     0.0000   0.8799     76.628   ?       ?       18.830  8.3683  0.000000       8.368298 
1 1 1 -15 -42 34 o 37.675  6.4551  194.139    56.886   270.719    128.064  175.314    63.494   39.144  12.183  34.953  7.6950  4.190853       14.40954 
1 1 1 -15 -42 35 o 20.074  7.4200  49.986     47.835   219.500    94.659   -8.1467    55.433   37.053  10.204  15.816  7.0669  21.23707       12.41247 
1 1 1 -15 -42 36 o 19.720  8.8392  -0.0697    87.452   -0.0697    87.452   0.0000     0.0000   19.720  8.8392  ?       ?       0.000000       8.839156 
1 1 1 -15 -42 37 o 26.957  10.409  107.504    96.562   107.504    96.562   0.0000     0.0000   26.957  10.409  ?       ?       0.000000       10.40941 
1 1 1 -15 -42 38 o 13.279  6.0399  -16.9319   42.617   -55.8095   97.917   -7.8462    47.336   18.208  8.5761  14.651  6.5396  3.556721       10.78498 
1 1 1 -15 -42 39 o 19.813  6.7170  52.442     38.486   16.533     99.265   58.794     41.752   21.351  9.5045  20.786  6.9964  0.5646667      11.80192 
1 1 1 -15 -42 40 o 29.857  7.8952  131.853    58.072   130.934    149.585  132.016    63.014   28.835  12.253  29.564  8.3931  -0.7295856     14.85183 
1 1 1 -15 -42 41 o 15.207  6.6212  3.4739     45.754   201.154    133.337  -22.9089   48.711   32.751  12.332  13.814  6.3484  18.93744       13.87024 
1 1 1 -15 -42 42 o 24.755  8.0728  90.592     55.699   169.621    154.321  78.755     59.725   30.406  12.651  23.425  8.3420  6.981256       15.15394 
1 1 1 -15 -42 43 o 34.402  5.9257  162.141    47.678   151.481    113.478  164.426    52.540   29.481  11.311  34.219  6.5668  -4.737579      13.07863 
1 1 1 -15 -42 44 o 48.737  4.9741  313.185    57.996   414.747    126.185  285.985    65.303   49.635  10.786  45.726  6.0331  3.908672       12.35844 
1 1 1 -15 -42 45 o 17.975  6.9309  37.457     42.760   39.740     99.587   36.941     47.347   22.057  9.6815  18.289  7.2223  3.768637       12.07866 
1 1 1 -15 -42 46 o 34.320  6.2102  164.570    49.812   312.367    104.068  120.646    56.733   43.346  10.085  28.112  7.9579  15.23368       12.84630 
1 1 1 -15 -42 47 o 67.976  5.3305  618.475    87.216   0.0000     0.0000   618.475    87.216   ?       ?       67.976  5.3305  0.000000       5.330549 
1 1 1 -15 -42 48 o 48.673  6.1463  329.017    70.970   0.0000     0.0000   329.017    70.970   ?       ?       48.673  6.1463  0.000000       6.146300 
1 1 1 -15 -42 49 o 18.982  7.5420  42.432     51.922   0.0000     0.0000   42.432     51.922   ?       ?       18.982  7.5420  0.000000       7.541975 
1 1 1 -15 -42 50 o 14.586  6.4737  -1.2272    45.712   -136.9902  96.637   37.908     51.884   15.113  7.4426  18.519  7.4769  -3.406519      10.54965 
1 1 1 -15 -42 51 o 21.083  7.6912  63.438     51.138   63.092     106.476  63.542     58.302   23.052  10.067  21.293  8.1219  1.759098       12.93491 
1 1 1 -15 -42 52 o 26.268  9.0694  113.431    70.231   91.947     134.182  121.537    82.423   25.129  11.125  26.698  9.7606  -1.568262      14.79985 
1 1 1 -15 -42 53 o 12.980  6.1849  -49.0791   53.831   -118.6218  118.151  -30.8614   60.472   17.355  8.4811  14.726  6.8729  2.628152       10.91629 
1 1 1 -15 -42 54 o 27.246  9.2280  123.601    72.638   206.431    139.682  92.899     85.042   30.967  12.349  24.378  9.6627  6.589579       15.68037 
1 1 1 -15 -42 55 o 41.592  6.4497  244.963    62.982   243.566    126.780  245.421    72.571   34.219  12.157  40.482  7.6689  -6.262531      14.37405 
1 1 1 -15 -42 56 o 17.038  7.0655  25.480     47.903   101.819    103.612  4.7268     54.023   25.222  10.420  16.046  7.0835  9.176519       12.59940 
1 1 1 -15 -42 57 o 12.745  5.8894  -21.5718   42.746   -185.0233  91.006   24.699     48.420   13.478  6.7348  16.990  7.0793  -3.511915      9.771111 
1 1 1 -15 -42 58 o 35.352  10.132  221.725    91.384   135.521    196.160  245.620    103.276  27.077  12.549  36.225  10.877  -9.147236      16.60691 
1 1 1 -15 -42 59 o 19.928  8.6984  34.869     79.407   376.681    208.952  -22.8274   85.847   34.654  14.590  17.531  8.1840  17.12390       16.72889 
1 1 1 -15 -42 60 o 25.928  9.9453  121.572    87.727   219.342    229.102  104.773    94.965   28.201  13.231  24.622  10.051  3.579010       16.61558 
1 1 1 -15 -41 1  o 21.687  8.2638  66.982     60.317   14.610     86.827   115.831    83.854   19.538  8.7790  26.197  9.7962  -6.659027      13.15429 
1 1 1 -15 -41 2  o 18.566  7.6288  36.001     55.163   77.044     80.295   -0.6853    75.914   23.063  9.3050  17.884  8.1059  5.179550       12.34049 
1 1 1 -15 -41 3  o 28.304  8.1478  126.113    58.981   106.565    84.239   144.911    82.609   25.411  9.7460  28.831  9.8407  -3.419510      13.85004 
1 1 1 -15 -41 4  o 12.921  6.1401  -45.8035   52.334   -53.4196   68.854   -35.3849   80.532   14.744  7.0171  16.726  7.8463  -1.981916      10.52633 
1 1 1 -15 -41 5  o 18.167  7.5567  30.897     55.036   54.038     75.254   4.2873     80.697   21.266  8.8402  18.603  8.4012  2.662807       12.19544 
1 1 1 -15 -41 6  o 34.081  9.6600  196.027    83.542   241.377    93.081   8.1729     189.445  37.583  10.023  24.212  11.555  13.37008       15.29672 
1 1 1 -15 -41 7  o 20.401  8.6797  39.592     75.226   41.312     83.786   32.443     170.836  21.035  9.0591  24.450  11.456  -3.414452      14.60532 
1 1 1 -15 -41 8  o 40.539  9.7411  269.656    94.625   250.306    108.628  330.532    192.673  37.112  11.158  36.077  14.464  1.034565       18.26748 
1 1 1 -15 -41 9  o 31.808  10.010  170.741    86.183   179.617    97.574   139.247    183.799  31.935  10.696  28.591  12.815  3.343632       16.69212 
1 1 1 -15 -41 10 o 12.554  6.1196  -87.7807   60.400   -93.4937   65.301   -53.9514   158.904  13.032  6.3548  22.131  10.568  -9.099091      12.33137 
1 1 1 -15 -41 11 o 38.279  9.7421  236.084    90.712   219.275    104.450  287.672    182.984  35.419  10.999  35.637  14.159  -0.2178307     17.92896 
1 1 1 -15 -41 12 o 65.214  7.3991  602.580    115.008  569.817    141.088  667.461    198.546  60.058  10.036  58.314  14.171  1.744106       17.36490 
1 1 1 -15 -41 13 o 21.545  8.7221  51.922     70.812   93.038     84.133   -47.9693   131.137  25.389  9.7393  21.024  9.9092  4.364943       13.89407 
1 1 1 -15 -41 14 o 32.809  7.6153  155.903    59.456   210.222    95.184   121.149    76.137   35.831  10.361  28.006  9.4478  7.824335       14.02186 
1 1 1 -15 -41 15 o 12.964  5.9940  -26.6506   44.377   -45.1962   70.393   -14.4189   57.168   15.723  7.3629  15.621  7.0614  0.1013365      10.20178 
1 1 1 -15 -41 16 o 25.575  7.8599  94.460     53.496   79.156     88.821   103.172    67.014   24.755  9.8553  26.430  8.8640  -1.675060      13.25509 
1 1 1 -15 -41 17 o 18.052  7.3154  28.538     49.867   -0.8404    84.605   44.178     61.730   19.510  8.7230  20.518  8.2005  -1.007998      11.97244 
1 1 1 -15 -41 18 o 30.322  7.5051  131.272    54.921   134.310    87.873   129.325    70.356   29.468  10.146  29.342  9.0132  0.1263885      13.57164 
1 1 1 -15 -41 19 o 20.625  7.7188  51.561     52.082   70.817     84.283   39.667     66.243   24.155  9.6053  20.580  8.3970  3.574581       12.75819 
1 1 1 -15 -41 20 o 24.900  8.3666  87.398     59.704   102.744    89.203   74.945     80.358   26.899  10.095  24.351  9.4699  2.548395       13.84148 
1 1 1 -15 -41 21 o 16.154  6.5143  20.812     39.333   7.6672     85.216   24.371     44.339   20.195  8.9068  17.137  6.9143  3.057886       11.27554 
1 1 1 -15 -41 22 o 27.907  6.6095  107.406    44.066   121.345    85.714   102.398    51.375   28.563  10.010  26.886  7.5595  1.677099       12.54414 
1 1 1 -15 -41 23 o 39.961  5.4308  209.473    51.294   249.225    94.473   192.856    61.081   40.590  9.7207  37.442  6.9801  3.148315       11.96719 
1 1 1 -15 -41 24 o 57.945  4.4090  427.023    61.524   434.370    108.866  423.575    74.575   55.356  8.3662  57.025  5.4563  -1.669212      9.988259 
1 1 1 -15 -41 25 o 42.944  5.1026  239.231    52.129   251.274    96.729   234.302    61.884   40.679  9.8949  41.820  6.2937  -1.141033      11.72687 
1 1 1 -15 -41 26 o 16.142  6.6134  17.796     41.306   45.891     83.541   8.7059     47.521   22.535  9.3367  16.149  6.8852  6.386274       11.60084 
1 1 1 -15 -41 27 o 23.214  7.2094  73.924     44.874   18.533     90.491   91.986     51.675   21.378  9.3098  25.588  7.6966  -4.210081      12.07931 
1 1 1 -15 -41 28 o 38.831  5.5925  198.453    51.173   176.709    95.832   207.126    60.524   33.641  10.550  39.108  6.6140  -5.467121      12.45186 
1 1 1 -15 -41 29 o 31.259  6.5386  133.345    47.999   157.827    91.395   124.021    56.403   32.012  10.333  29.547  7.7655  2.464947       12.92611 
1 1 1 -15 -41 30 o 20.327  7.2177  51.907     44.680   102.333    86.429   33.516     52.196   27.026  9.9771  18.930  7.5490  8.096170       12.51118 
1 1 1 -15 -41 31 o 38.121  7.3659  201.812    65.666   163.635    96.966   234.153    89.247   32.383  10.656  39.623  9.4208  -7.240574      14.22316 
1 1 1 -15 -41 32 o 48.150  7.6171  321.865    86.031   307.876    157.508  327.813    102.705  41.147  13.583  47.205  9.2976  -6.058712      16.46030 
1 1 1 -15 -41 33 o 25.931  9.2288  94.059     73.088   57.159     137.613  108.558    86.260   26.272  11.460  27.498  9.9955  -1.226213      15.20653 
1 1 1 -15 -41 34 o 28.526  11.734  108.021    130.677  108.021    130.677  0.0000     0.0000   28.526  11.734  ?       ?       0.000000       11.73409 
1 1 1 -15 -41 35 o 28.053  11.860  95.429     138.974  95.429     138.974  0.0000     0.0000   28.053  11.860  ?       ?       0.000000       11.85964 
1 1 1 -15 -41 36 o 24.160  9.8870  63.940     92.182   63.940     92.182   0.0000     0.0000   24.160  9.8870  ?       ?       0.000000       9.886985 
1 1 1 -15 -41 37 o 23.769  7.5282  78.835     48.684   182.921    103.106  48.970     55.229   33.577  10.985  20.588  7.8925  12.98973       13.52639 
1 1 1 -15 -41 38 o 25.538  6.6639  90.740     41.730   37.326     102.163  101.436    45.717   23.029  9.9602  26.887  6.9552  -3.857857      12.14825 
1 1 1 -15 -41 39 o 22.063  6.7571  67.039     39.576   -11.1597   102.930  80.606     42.872   20.647  9.3894  23.996  6.9578  -3.348867      11.68636 
1 1 1 -15 -41 40 o 24.932  6.4997  86.480     39.723   66.508     102.964  89.972     43.056   24.594  10.292  25.303  6.8465  -0.7098942     12.36101 
1 1 1 -15 -41 41 o 18.919  7.5302  36.166     51.845   249.367    137.296  0.7084     55.991   36.761  12.681  16.470  7.2435  20.29070       14.60433 
1 1 1 -15 -41 42 o 44.682  6.7211  275.309    70.611   262.946    158.881  278.352    78.823   36.423  13.511  44.205  7.6242  -7.781765      15.51376 
1 1 1 -15 -41 43 o 28.255  8.3228  119.497    60.915   210.480    149.132  101.277    66.736   33.307  12.915  26.051  8.8451  7.255352       15.65378 
1 1 1 -15 -41 44 o 59.660  4.5893  460.015    65.925   473.829    123.900  454.560    77.862   55.416  9.5598  58.489  5.5529  -3.073360      11.05557 
1 1 1 -15 -41 45 o 27.940  7.1585  112.803    48.748   117.761    97.961   111.171    56.201   27.333  10.503  27.297  7.9811  0.3577423E-01  13.19172 
1 1 1 -15 -41 46 o 15.901  6.7355  13.541     44.966   0.0000     0.0000   13.541     44.966   ?       ?       15.901  6.7355  0.000000       6.735452 
1 1 1 -15 -41 47 o 27.189  7.8127  110.809    54.274   0.0000     0.0000   110.809    54.274   ?       ?       27.189  7.8127  0.000000       7.812733 
1 1 1 -15 -41 48 o 42.035  5.5568  238.691    55.286   335.611    111.549  207.131    63.654   44.665  10.474  37.875  7.1893  6.789715       12.70421 
1 1 1 -15 -41 49 o 17.228  6.7409  32.556     40.907   -16.1766   80.464   49.540     47.503   17.771  8.1640  19.595  7.3642  -1.824093      10.99466 
1 1 1 -15 -41 50 o 23.266  8.6636  79.911     65.451   163.615    112.079  36.593     80.627   29.692  11.276  20.583  8.8754  9.109056       14.35026 
1 1 1 -15 -41 51 o 22.330  7.6895  73.106     50.469   66.220     102.820  75.291     57.928   23.347  10.045  22.640  8.1970  0.7071037      12.96520 
1 1 1 -15 -41 52 o 16.414  6.9084  19.043     46.821   152.657    100.810  -17.7077   52.870   29.039  10.764  14.521  6.6514  14.51818       12.65343 
1 1 1 -15 -41 53 o 13.850  6.4946  -35.5452   55.085   35.194     103.900  -63.2031   64.968   21.741  9.6975  13.939  6.6832  7.801432       11.77736 
1 1 1 -15 -41 54 o 12.360  5.9084  -51.1093   49.958   -110.1207  83.620   -18.3553   62.298   14.565  7.1214  15.664  7.1914  -1.098542      10.12083 
1 1 1 -15 -41 55 o 12.586  5.8671  -28.0723   43.861   -155.7678  93.718   7.7418     49.632   14.463  7.1604  15.818  6.8915  -1.355196      9.938002 
1 1 1 -15 -41 56 o 24.089  7.8050  87.588     52.104   249.692    100.263  27.614     60.985   37.687  10.548  18.490  7.8388  19.19640       13.14181 
1 1 1 -15 -41 57 o 13.259  6.1364  -24.1506   46.670   -82.2154   93.333   -4.7922    53.891   16.382  7.8938  15.459  6.9333  0.9234953      10.50633 
1 1 1 -15 -41 58 o 14.866  7.1646  -76.4082   76.991   -73.3003   175.149  -77.1526   85.716   21.821  10.587  15.762  7.5875  6.059543       13.02555 
1 1 1 -15 -41 59 o 21.434  9.1423  51.267     83.846   198.357    220.549  26.417     90.653   29.173  13.444  20.392  9.0799  8.780422       16.22338 
1 1 1 -15 -41 60 o 15.393  7.3357  -54.3475   75.781   -266.3792  214.362  -24.0635   81.013   20.051  10.064  17.132  7.9819  2.918859       12.84524 
1 1 1 -15 -41 61 o 13.057  6.4831  -140.4156  78.935   -15.7902   210.213  -160.8723  85.168   23.278  11.362  13.253  6.6052  10.02549       13.14256 
1 1 1 -15 -40 1  o 35.371  7.5843  187.015    63.137   133.291    95.438   228.826    84.194   27.625  10.426  37.418  9.3109  -9.792158      13.97856 
1 1 1 -15 -40 2  f 27.079  8.1299  114.007    57.696   95.038     94.399   125.318    72.897   24.857  10.068  27.598  9.2450  -2.740038      13.66866 
1 1 1 -15 -40 3  f 15.412  6.9007  -4.3174    53.150   -78.7575   80.848   52.341     70.534   15.257  7.3502  21.033  8.6327  -5.776703      11.33796 
1 1 1 -15 -40 4  o 26.358  8.5972  109.049    63.171   54.630     90.338   161.119    88.368   22.261  9.4921  30.504  10.179  -8.243067      13.91806 
1 1 1 -15 -40 5  o 36.850  7.5271  199.711    65.028   250.960    92.517   149.670    91.420   39.066  9.7820  29.482  10.338  9.583490       14.23241 
1 1 1 -15 -40 6  o 11.091  5.4270  -79.6261   48.834   -95.0475   69.043   -64.1884   69.079   13.451  6.5535  14.548  6.9525  -1.096952      9.554400 
1 1 1 -15 -40 7  o 21.983  7.7300  67.763     51.131   112.047    77.104   33.002     68.311   26.729  9.4825  19.758  8.3317  6.971178       12.62278 
1 1 1 -15 -40 8  o 23.884  7.8034  82.860     52.035   41.777     77.239   117.000    70.411   21.112  8.8788  27.466  9.0823  -6.353376      12.70123 
1 1 1 -15 -40 9  o 39.621  8.8587  238.500    83.027   230.777    92.892   269.174    185.134  37.855  9.9737  35.278  14.166  2.577274       17.32443 
1 1 1 -15 -40 10 o 70.504  7.2947  695.062    122.986  686.632    149.167  712.959    217.333  67.340  9.3843  59.476  15.048  7.863861       17.73443 
1 1 1 -15 -40 11 o 19.617  8.4221  22.165     71.998   31.684     82.771   -7.4320    145.948  21.118  9.0474  23.500  10.867  -2.381525      14.14054 
1 1 1 -15 -40 12 o 15.918  7.3367  -29.8796   65.699   -19.4174   78.514   -54.3148   119.989  17.933  8.1728  20.304  9.5418  -2.370810      12.56345 
1 1 1 -15 -40 13 o 28.828  9.7030  126.580    80.302   29.223     98.432   320.325    138.857  22.287  9.7076  42.527  12.577  -20.24009      15.88762 
1 1 1 -15 -40 14 o 33.045  9.8823  169.541    85.374   270.291    106.555  -11.0884   142.675  41.266  10.589  23.565  10.843  17.70099       15.15576 
1 1 1 -15 -40 15 o 15.468  7.2932  -56.9004   71.147   -79.1525   87.112   -12.3171   123.304  16.522  7.8714  22.342  10.205  -5.819813      12.88815 
1 1 1 -15 -40 16 o 49.024  6.0042  318.573    69.929   426.097    125.215  269.835    84.301   53.107  10.086  43.471  8.2948  9.635536       13.05875 
1 1 1 -15 -40 17 o 14.525  6.5063  -12.0764   47.297   5.4935     80.503   -21.3383   58.449   19.725  8.6801  15.581  7.0817  4.143863       11.20246 
1 1 1 -15 -40 18 o 63.735  4.9092  520.728    75.335   539.218    116.780  507.549    98.593   62.350  7.8960  61.529  6.7129  0.8216705      10.36391 
1 1 1 -15 -40 19 o 25.563  8.1817  91.435     57.388   67.074     84.434   112.353    78.238   24.223  9.6197  27.921  9.5764  -3.698626      13.57370 
1 1 1 -15 -40 20 o 75.682  4.0620  720.307    74.320   753.254    128.259  703.653    91.190   74.718  7.1624  74.050  5.1065  0.6681061      8.796350 
1 1 1 -15 -40 21 o 56.358  4.3673  402.318    59.255   442.320    106.547  384.405    71.298   56.494  7.9960  54.439  5.4717  2.055061       9.688945 
1 1 1 -15 -40 22 o 27.744  6.6619  105.236    44.281   138.484    88.702   94.200     51.104   30.522  10.198  26.010  7.6123  4.512447       12.72595 
1 1 1 -15 -40 23 o 31.336  6.5164  132.970    47.932   124.077    90.221   136.467    56.577   29.249  10.269  31.269  7.5438  -2.020687      12.74225 
1 1 1 -15 -40 24 o 23.192  7.0324  72.989     43.014   105.092    83.739   61.482     50.133   27.490  9.8683  21.901  7.6569  5.589512       12.49045 
1 1 1 -15 -40 25 o 15.943  6.5327  16.368     40.307   70.738     80.694   -1.7074    46.528   24.460  9.4961  15.250  6.6574  9.210747       11.59723 
1 1 1 -15 -40 26 o 21.607  7.1590  61.254     43.739   94.532     87.892   50.300     50.427   26.732  10.023  20.645  7.6209  6.087076       12.59100 
1 1 1 -15 -40 27 o 32.251  6.2959  139.575    47.499   52.901     89.896   173.146    55.947   23.721  9.7420  35.811  6.6845  -12.09022      11.81475 
1 1 1 -15 -40 28 o 33.431  6.2114  149.368    48.530   147.399    90.349   150.166    57.535   31.439  10.283  32.949  7.3799  -1.510698      12.65709 
1 1 1 -15 -40 29 o 26.065  7.1129  93.586     46.240   62.848     88.872   104.995    54.146   24.348  9.8013  27.396  7.7810  -3.047930      12.51434 
1 1 1 -15 -40 30 o 22.238  7.3031  65.558     45.555   108.508    86.485   49.066     53.592   27.877  10.026  20.744  7.8168  7.133024       12.71353 
1 1 1 -15 -40 31 o 37.246  5.9070  183.186    51.602   168.931    95.362   189.088    61.362   33.322  10.534  37.250  7.0472  -3.928429      12.67420 
1 1 1 -15 -40 32 o 34.648  6.3646  161.029    51.535   98.262     95.609   186.733    61.184   27.261  10.400  36.987  7.0753  -9.725899      12.57868 
1 1 1 -15 -40 33 o 23.768  10.645  6.3837     126.571  6.3837     126.571  0.0000     0.0000   23.768  10.645  ?       ?       0.000000       10.64518 
1 1 1 -15 -40 34 o 43.903  13.555  337.188    158.893  337.188    158.893  0.0000     0.0000   43.903  13.555  ?       ?       0.000000       13.55489 
1 1 1 -15 -40 35 o 61.389  12.815  617.464    184.718  617.464    184.718  0.0000     0.0000   61.389  12.815  ?       ?       0.000000       12.81488 
1 1 1 -15 -40 36 o 28.448  7.7768  114.275    55.217   71.034     132.568  123.352    60.737   26.987  11.503  29.378  8.2052  -2.391436      14.12931 
1 1 1 -15 -40 37 o 57.947  4.2523  424.883    59.371   518.601    120.358  394.745    68.253   60.712  8.3950  55.322  5.1436  5.389645       9.845383 
1 1 1 -15 -40 38 o 14.809  6.1832  10.554     37.047   80.594     96.773   -1.4726    40.101   25.747  10.275  14.187  6.1874  11.55942       11.99448 
1 1 1 -15 -40 39 o 42.729  4.9984  236.297    50.843   201.109    115.239  244.802    56.655   35.027  11.621  43.206  5.5311  -8.179092      12.87011 
1 1 1 -15 -40 40 o 11.682  5.2370  -10.2267   30.711   -121.5051  99.497   1.4915     32.288   16.545  8.0161  13.071  5.6265  3.473757       9.793622 
1 1 1 -15 -40 41 o 20.753  6.7593  57.585     39.053   29.585     94.502   63.352     42.886   22.160  9.5820  21.656  7.0847  0.5042667      11.91667 
1 1 1 -15 -40 42 o 22.518  8.2344  66.217     58.667   57.123     141.878  68.093     64.433   26.128  11.510  22.964  8.5872  3.164169       14.36012 
1 1 1 -15 -40 43 o 20.351  7.9328  46.426     56.489   33.699     142.116  48.814     61.561   25.030  11.240  20.936  8.2457  4.094099       13.94037 
1 1 1 -15 -40 44 f 23.446  8.4001  75.623     60.648   156.378    149.113  59.616     66.387   30.751  12.578  22.141  8.6084  8.609919       15.24208 
1 1 1 -15 -40 45 o 60.232  5.4826  478.402    79.249   0.0000     0.0000   478.402    79.249   ?       ?       60.232  5.4826  0.000000       5.482608 
1 1 1 -15 -40 46 o 39.966  6.4457  219.542    60.379   0.0000     0.0000   219.542    60.379   ?       ?       39.966  6.4457  0.000000       6.445696 
1 1 1 -15 -40 47 o 10.487  5.0388  -47.5657   37.365   -53.1550   92.851   -46.4856   40.816   17.726  8.3499  11.190  5.3469  6.536061       9.915111 
1 1 1 -15 -40 48 o 15.691  6.5112  16.786     40.721   69.286     77.088   -3.5333    47.959   23.114  9.1878  14.965  6.6369  8.148129       11.33418 
1 1 1 -15 -40 49 o 14.643  6.2768  7.2353     39.880   -88.2501   76.271   43.164     46.785   14.596  7.0584  18.987  7.2677  -4.391229      10.13115 
1 1 1 -15 -40 50 o 34.818  5.6093  164.640    45.779   99.351     87.243   189.448    53.778   25.509  9.8820  36.970  6.2155  -11.46122      11.67421 
1 1 1 -15 -40 51 o 22.087  7.3526  70.157     46.117   24.952     85.575   88.658     54.747   20.368  8.9564  24.325  8.0069  -3.957668      12.01365 
1 1 1 -15 -40 52 o 30.161  6.9460  131.936    49.784   199.068    91.891   104.045    59.229   33.974  10.273  25.981  8.3116  7.993206       13.21461 
1 1 1 -15 -40 53 o 26.469  7.6363  105.454    51.758   55.726     96.726   125.404    61.267   22.657  9.7455  28.381  8.3431  -5.723642      12.82895 
1 1 1 -15 -40 54 o 20.981  8.7627  47.634     74.434   0.0000     0.0000   47.634     74.434   ?       ?       20.981  8.7627  0.000000       8.762670 
1 1 1 -15 -40 55 o 24.370  8.7139  90.513     65.233   159.150    113.353  56.526     79.765   29.463  11.304  21.905  9.1032  7.558237       14.51386 
1 1 1 -15 -40 56 o 21.529  7.6523  65.517     50.236   -62.8986   96.463   113.305    58.846   17.400  8.2879  27.095  8.2275  -9.694956      11.67825 
1 1 1 -15 -40 57 o 16.806  7.0574  20.272     48.682   -66.8472   96.418   50.080     56.398   17.271  8.2429  20.159  7.9075  -2.888145      11.42251 
1 1 1 -15 -40 58 o 25.250  7.7132  95.998     51.606   122.563    102.117  86.888     59.804   27.042  10.630  23.997  8.3644  3.045231       13.52612 
1 1 1 -15 -40 59 o 16.091  7.6103  -49.2883   78.576   36.530     213.458  -62.7400   84.510   25.688  12.261  16.198  7.7270  9.489983       14.49296 
1 1 1 -15 -40 60 o 19.488  8.6493  19.136     81.602   -169.0909  220.561  48.987     87.834   21.956  10.891  21.590  9.2867  0.3661442      14.31246 
1 1 1 -15 -40 61 o 16.634  7.7845  -31.2397   78.461   -144.4718  221.975  -15.0726   83.875   22.058  10.938  17.828  8.2424  4.229181       13.69607 
1 1 1 -15 -39 1  o 32.696  9.0217  171.341    73.907   263.996    218.701  159.395    78.527   32.439  14.290  31.045  9.5199  1.394146       17.17054 
1 1 1 -15 -39 2  o 25.104  8.1083  95.363     56.266   10.843     90.654   148.323    71.760   19.999  8.9795  30.425  9.0515  -10.42551      12.74989 
1 1 1 -15 -39 3  o 30.076  7.7950  135.355    57.352   125.398    86.754   143.085    76.438   27.693  10.031  29.710  9.4356  -2.016541      13.77109 
1 1 1 -15 -39 4  f 20.571  7.9271  52.699     55.909   45.872     84.293   58.062     74.707   21.750  9.2179  22.062  8.9492  -0.3125992     12.84750 
1 1 1 -15 -39 5  o 37.926  6.7130  201.093    59.515   161.862    97.030   224.754    75.355   30.964  10.662  38.891  8.2416  -7.926634      13.47600 
1 1 1 -15 -39 6  o 31.893  7.7782  148.946    59.652   201.458    95.864   115.766    76.202   34.841  10.484  27.406  9.4480  7.435112       14.11287 
1 1 1 -15 -39 7  o 33.901  7.4466  164.629    59.580   139.125    94.284   181.584    76.873   29.458  10.482  34.407  9.0769  -4.948683      13.86596 
1 1 1 -15 -39 8  o 45.103  5.8794  272.015    62.814   191.853    94.154   336.309    84.322   34.431  10.396  49.059  7.3065  -14.62848      12.70715 
1 1 1 -15 -39 9  o 37.457  6.4982  191.726    56.918   223.572    89.111   169.779    73.976   38.097  9.6339  33.598  8.9236  4.498947       13.13176 
1 1 1 -15 -39 10 o 20.319  7.5046  50.563     48.912   53.414     79.167   48.803     62.204   22.582  9.1928  21.058  8.2903  1.523369       12.37889 
1 1 1 -15 -39 11 o 33.052  6.8960  151.076    53.516   289.575    84.755   59.244     69.014   45.225  8.0172  22.498  8.7687  22.72700       11.88131 
1 1 1 -15 -39 12 o 39.191  8.4600  221.375    78.091   223.901    93.881   215.702    140.687  38.221  10.006  35.396  12.781  2.825127       16.23146 
1 1 1 -15 -39 13 o 76.515  6.7565  783.637    124.150  793.219    162.160  770.065    192.984  74.160  9.2100  69.722  11.830  4.438705       14.99271 
1 1 1 -15 -39 14 o 72.681  6.9550  709.328    121.156  701.005    156.756  721.677    190.936  69.454  9.5547  67.288  12.141  2.165688       15.45004 
1 1 1 -15 -39 15 o 30.773  9.8689  140.631    83.464   270.723    104.529  -88.2171   138.639  42.266  10.289  21.292  10.082  20.97378       14.40523 
1 1 1 -15 -39 16 o 42.730  9.2191  264.910    92.778   287.482    119.117  230.099    147.930  42.794  11.303  36.952  13.132  5.841915       17.32661 
1 1 1 -15 -39 17 o 63.299  7.2943  540.401    109.982  489.571    141.348  618.397    175.092  57.265  10.562  62.979  11.894  -5.713806      15.90642 
1 1 1 -15 -39 18 o 51.259  6.5401  348.476    79.489   320.511    125.600  367.160    102.665  45.352  11.421  51.164  8.5730  -5.812519      14.28024 
1 1 1 -15 -39 19 f 26.705  6.6262  96.925     42.731   50.623     83.335   113.442    49.773   23.192  9.4355  28.715  7.1664  -5.522467      11.84845 
1 1 1 -15 -39 20 o 19.093  6.8670  43.050     40.567   66.720     81.704   35.306     46.734   24.330  9.5248  18.750  7.2414  5.579115       11.96489 
1 1 1 -15 -39 21 o 44.897  4.8414  257.424    51.908   361.890    97.576   216.192    61.301   51.247  8.1177  40.319  6.4860  10.92792       10.39061 
1 1 1 -15 -39 22 o 17.236  6.6672  28.448     39.667   115.259    78.480   -1.3384    45.971   28.588  9.5924  15.249  6.6382  13.33867       11.66531 
1 1 1 -15 -39 23 o 24.401  7.0373  80.790     43.963   64.837     85.568   86.511     51.244   24.482  9.6963  25.169  7.6855  -0.6868057     12.37278 
1 1 1 -15 -39 24 o 15.885  6.4925  16.027     39.689   -32.2233   81.723   30.920     45.403   18.174  8.3041  18.172  7.1040  0.2605438E-02  10.92819 
1 1 1 -15 -39 25 o 14.203  6.1603  -1.0387    39.302   68.653     76.337   -26.1735   45.844   24.249  9.2831  13.480  6.1817  10.76898       11.15295 
1 1 1 -15 -39 26 o 15.572  6.4723  11.951     40.328   14.653     78.103   10.968     47.092   20.386  8.7627  16.458  6.9278  3.927986       11.17045 
1 1 1 -15 -39 27 o 53.126  4.6173  357.495    58.928   356.935    106.500  357.742    70.745   50.279  9.0631  52.619  5.6283  -2.339806      10.66850 
1 1 1 -15 -39 28 o 12.417  5.7319  -27.2869   40.330   -172.6271  79.094   23.778     46.883   13.052  6.4820  17.621  7.1098  -4.569576      9.621139 
1 1 1 -15 -39 29 o 12.677  5.8126  -23.8504   40.513   -25.3089   79.072   -23.3312   47.175   18.215  8.2628  13.889  6.3316  4.326928       10.40976 
1 1 1 -15 -39 30 o 18.557  7.0756  35.518     44.237   52.355     85.117   29.287     51.779   23.550  9.5526  18.713  7.4994  4.837736       12.14464 
1 1 1 -15 -39 31 o 22.021  7.2415  63.351     44.784   80.782     87.818   57.225     52.063   25.850  9.9422  21.640  7.7797  4.209955       12.62425 
1 1 1 -15 -39 32 o 22.460  9.4743  32.769     88.379   32.769     88.379   0.0000     0.0000   22.460  9.4743  ?       ?       0.000000       9.474266 
1 1 1 -15 -39 33 o 80.427  7.3251  864.950    141.382  864.950    141.382  0.0000     0.0000   80.427  7.3251  ?       ?       0.000000       7.325149 
1 1 1 -15 -39 34 o 27.119  11.546  63.513     133.278  63.513     133.278  0.0000     0.0000   27.119  11.546  ?       ?       0.000000       11.54564 
1 1 1 -15 -39 35 o 18.250  8.0045  -0.6118    67.964   26.481     129.048  -11.0111   79.951   25.050  11.007  19.010  8.4912  6.039917       13.90192 
1 1 1 -15 -39 36 o 38.358  7.7849  203.770    69.979   236.402    147.463  194.285    79.501   37.713  13.135  36.713  8.9952  0.9997826      15.91988 
1 1 1 -15 -39 37 o 41.280  7.2706  232.068    70.164   209.068    151.564  238.341    79.156   35.723  13.207  41.265  8.1946  -5.542725      15.54283 
1 1 1 -15 -39 38 o 15.353  5.9840  21.200     32.141   1.1910     88.883   24.210     34.474   20.507  9.0677  16.042  6.2128  4.464136       10.99185 
1 1 1 -15 -39 39 o 20.646  6.8628  55.360     40.183   90.517     92.037   47.080     44.665   26.516  10.183  19.838  7.1954  6.678358       12.46862 
1 1 1 -15 -39 40 o 69.832  4.1004  613.707    69.173   829.870    124.718  517.667    83.132   79.122  6.5554  63.233  5.4722  15.88938       8.539182 
1 1 1 -15 -39 41 o 73.727  4.1368  685.002    73.706   691.334    130.696  682.049    89.253   70.928  7.7187  72.887  5.0785  -1.958755      9.239563 
1 1 1 -15 -39 42 o 28.780  6.8013  114.323    46.743   73.146     94.050   127.830    53.867   25.082  10.088  30.172  7.4115  -5.090729      12.51756 
1 1 1 -15 -39 43 o 17.995  7.6586  14.903     58.605   -15.9412   140.579  21.390     64.474   23.465  10.784  19.113  8.0789  4.352457       13.47476 
1 1 1 -15 -39 44 o 23.873  8.7561  75.887     66.408   0.0000     0.0000   75.887     66.408   ?       ?       23.873  8.7561  0.000000       8.756114 
1 1 1 -15 -39 45 o 42.243  8.5480  260.092    84.608   0.0000     0.0000   260.092    84.608   ?       ?       42.243  8.5480  0.000000       8.548002 
1 1 1 -15 -39 46 o 46.906  5.1604  287.473    57.761   302.045    111.820  282.169    67.458   43.358  10.695  45.742  6.2408  -2.383751      12.38285 
1 1 1 -15 -39 47 o 30.089  6.5631  125.839    46.566   154.426    79.217   110.745    57.562   31.466  9.5440  27.467  8.0904  3.999281       12.51173 
1 1 1 -15 -39 48 o 16.173  6.4694  23.291     38.453   163.582    70.387   -36.3923   45.910   32.872  8.6920  12.644  5.9290  20.22812       10.52161 
1 1 1 -15 -39 49 o 40.393  14.063  342.617    169.019  411.477    262.643  293.943    220.819  38.571  16.305  35.445  14.965  3.126438       22.13151 
1 1 1 -15 -39 50 o 21.365  6.8951  63.686     40.693   -2.3648    76.916   89.360     47.954   18.397  8.2648  24.804  7.4039  -6.406942      11.09611 
1 1 1 -15 -39 51 o 29.079  7.2273  122.893    50.772   259.170    91.915   63.054     60.907   40.391  9.5322  21.824  8.3068  18.56693       12.64381 
1 1 1 -15 -39 52 o 16.991  6.9345  25.395     45.192   -96.4790   84.386   74.406     53.513   15.229  7.3795  22.753  7.9133  -7.523359      10.82021 
1 1 1 -15 -39 53 o 27.647  7.5594  113.641    52.166   138.775    91.051   101.358    63.649   28.715  10.292  25.691  8.6385  3.023905       13.43681 
1 1 1 -15 -39 54 o 16.901  7.3252  11.526     55.490   25.604     91.577   3.3585     69.754   20.860  9.2151  17.847  7.9543  3.013269       12.17329 
1 1 1 -15 -39 55 o 24.951  8.7614  94.931     65.674   84.483     113.145  100.240    80.650   25.051  10.651  25.468  9.5908  -0.4173336     14.33273 
1 1 1 -15 -39 56 o 18.281  7.8570  20.381     62.783   52.062     104.189  2.3182     78.670   22.985  9.9998  18.624  8.3633  4.360867       13.03608 
1 1 1 -15 -39 57 o 28.316  8.1218  122.096    58.702   131.111    108.545  118.369    69.789   27.930  10.965  27.380  9.0415  0.5503483      14.21236 
1 1 1 -15 -39 58 o 23.924  7.9224  84.680     53.568   -41.7320   104.269  130.009    62.439   18.911  8.8894  29.028  8.3910  -10.11703      12.22418 
1 1 1 -15 -39 59 o 31.059  10.411  166.930    92.448   99.372     231.159  179.793    100.865  27.951  13.169  31.747  10.874  -3.795961      17.07787 
1 1 1 -15 -39 60 o 30.536  10.738  166.592    98.664   325.271    236.840  133.272    108.530  33.979  14.922  27.767  10.945  6.211670       18.50538 
1 1 1 -15 -39 61 o 25.793  9.9905  108.513    89.157   -60.1004   235.910  136.609    96.299   24.259  11.883  27.902  10.485  -3.642082      15.84728 
1 1 1 -15 -39 62 o 25.250  10.009  105.234    91.237   433.588    242.064  50.864     98.501   35.837  15.416  22.035  9.6513  13.80141       18.18769 
1 1 1 -15 -38 1  o 14.711  7.0070  -60.9930   68.933   26.051     192.554  -73.7882   73.826   25.763  12.101  14.823  7.1117  10.93957       14.03581 
1 1 1 -15 -38 2  o 14.793  6.7747  -21.2841   54.810   -301.6597  211.154  -1.0281    56.755   20.629  10.300  16.309  7.2269  4.320303       12.58284 
1 1 1 -15 -38 3  o 51.698  7.0406  373.012    86.020   369.175    239.098  373.582    92.194   38.026  15.778  51.149  7.6645  -13.12339      17.54132 
1 1 1 -15 -38 4  o 21.375  7.3882  61.792     46.613   95.457     81.074   45.169     56.971   25.712  9.6289  20.149  7.9335  5.562555       12.47624 
1 1 1 -15 -38 5  o 41.339  5.9358  229.270    57.832   242.922    98.669   222.126    71.378   39.026  10.278  39.427  7.7374  -0.4007454     12.86456 
1 1 1 -15 -38 6  o 18.003  7.1511  31.037     46.669   126.490    84.699   -10.5752   55.923   28.789  9.9588  15.781  7.0714  13.00814       12.21403 
1 1 1 -15 -38 7  o 29.405  6.9676  120.747    48.951   80.286     80.900   144.116    61.483   24.809  9.5423  31.596  8.0091  -6.787256      12.45801 
1 1 1 -15 -38 8  o 37.518  6.0565  188.279    53.257   179.290    85.250   194.032    68.204   34.246  9.7763  37.004  7.8400  -2.758339      12.53157 
1 1 1 -15 -38 9  o 25.352  7.6615  89.990     51.117   100.918    82.527   83.188     65.110   26.851  9.7743  24.721  8.7199  2.129759       13.09861 
1 1 1 -15 -38 10 o 81.096  4.5322  833.995    88.825   1110.21    136.807  632.699    116.789  91.954  6.1673  68.447  7.1370  23.50687       9.432522 
1 1 1 -15 -38 11 o 74.759  4.6659  709.799    84.215   778.531    130.382  660.596    110.314  76.099  7.1448  70.647  6.5085  5.451553       9.664845 
1 1 1 -15 -38 12 f 103.797 4.4144  1356.12    111.178  1315.38    165.963  1389.28    149.743  99.467  6.9196  103.354 5.9969  -3.887856      9.156603 
1 1 1 -15 -38 13 o 55.945  5.1061  400.977    68.549   485.987    107.142  342.063    89.194   59.872  7.5426  50.103  7.5731  9.768719       10.68842 
1 1 1 -15 -38 14 o 35.857  8.7493  183.590    75.449   142.470    89.821   282.134    139.050  31.165  10.256  41.532  12.655  -10.36763      16.28916 
1 1 1 -15 -38 15 o 39.305  9.4697  224.164    89.243   246.327    113.132  187.654    145.204  40.001  11.208  34.701  12.908  5.300106       17.09440 
1 1 1 -15 -38 16 o 52.511  8.0904  378.122    99.773   277.923    129.243  525.909    156.962  41.935  12.058  59.051  11.367  -17.11618      16.57126 
1 1 1 -15 -38 17 o 69.510  9.6128  685.182    157.791  685.182    157.791  0.0000     0.0000   69.510  9.6128  ?       ?       0.000000       9.612817 
1 1 1 -15 -38 18 o 28.640  7.8857  113.646    56.537   110.116    109.289  114.937    66.063   29.048  11.110  28.647  8.7216  0.4010372      14.12475 
1 1 1 -15 -38 19 o 42.554  6.8304  241.162    68.140   254.547    122.310  235.139    82.053   40.539  11.751  41.047  8.5176  -0.5078583     14.51365 
1 1 1 -15 -38 20 o 39.762  5.1378  202.966    48.410   100.065    89.951   244.922    57.437   27.660  10.184  43.538  5.5642  -15.87794      11.60477 
1 1 1 -15 -38 21 o 36.396  5.6504  172.364    48.282   166.877    88.882   174.661    57.506   33.827  10.076  36.123  6.8107  -2.295971      12.16176 
1 1 1 -15 -38 22 o 53.608  4.4607  362.102    57.496   397.081    103.536  346.506    69.136   53.965  8.1620  51.899  5.5776  2.066452       9.885706 
1 1 1 -15 -38 23 o 18.719  6.9053  38.741     41.388   105.575    78.029   12.577     48.821   27.851  9.5629  16.893  7.0793  10.95838       11.89811 
1 1 1 -15 -38 24 o 10.935  5.1854  -41.1888   36.935   42.428     75.469   -67.5236   42.353   22.207  8.9994  10.709  5.1981  11.49864       10.39275 
1 1 1 -15 -38 25 o 47.673  4.7415  288.091    54.119   295.943    96.989   284.542    65.215   45.939  9.0232  46.857  5.8644  -0.9186554     10.76147 
1 1 1 -15 -38 26 o 11.730  5.4626  -31.1000   37.878   -37.5879   75.875   -28.9465   43.714   17.313  7.9441  12.970  5.9803  4.342168       9.943439 
1 1 1 -15 -38 27 o 14.809  6.3687  1.5662     41.294   83.881     81.781   -26.6027   47.841   26.022  9.6854  13.839  6.3348  12.18228       11.57307 
1 1 1 -15 -38 28 o 44.944  5.0122  257.587    53.728   336.153    96.056   221.815    64.815   49.542  8.2831  40.865  6.7739  8.676712       10.70029 
1 1 1 -15 -38 29 o 22.513  7.1378  66.590     43.757   114.785    84.468   48.912     51.156   28.876  9.9476  20.750  7.6727  8.125534       12.56285 
1 1 1 -15 -38 30 o 12.753  5.8526  -25.1514   41.203   -4.1454    80.242   -32.6734   48.017   19.592  8.6419  13.501  6.2398  6.091858       10.65915 
1 1 1 -15 -38 31 o 42.171  9.8922  257.279    99.473   257.279    99.473   0.0000     0.0000   42.171  9.8922  ?       ?       0.000000       9.892196 
1 1 1 -15 -38 32 o 39.289  10.273  226.850    99.046   226.850    99.046   0.0000     0.0000   39.289  10.273  ?       ?       0.000000       10.27343 
1 1 1 -15 -38 33 f 47.064  7.2614  296.689    80.255   383.013    150.418  262.335    94.890   49.358  12.536  42.904  9.3769  6.453754       15.65482 
1 1 1 -15 -38 34 o 48.557  5.0625  300.871    58.768   360.331    107.050  275.221    70.311   50.715  9.0304  45.694  6.5271  5.021259       11.14233 
1 1 1 -15 -38 35 o 32.112  7.5826  141.762    58.136   24.380     137.866  167.149    64.115   25.802  11.357  34.831  7.7823  -9.029049      13.76731 
1 1 1 -15 -38 36 o 84.016  5.9158  910.574    119.828  909.742    207.151  910.993    146.899  78.377  11.212  82.676  7.4011  -4.299103      13.43461 
1 1 1 -15 -38 37 o 28.968  8.3901  117.554    62.370   315.680    135.795  64.585     70.214   44.724  12.183  23.558  8.9305  21.16619       15.10560 
1 1 1 -15 -38 38 o 30.812  5.7440  125.092    41.364   -113.8524  131.149  151.486    43.589   20.208  9.6359  34.103  5.4512  -13.89530      11.07099 
1 1 1 -15 -38 39 o 24.167  6.8538  79.129     42.042   159.790    101.814  62.548     46.161   32.689  10.926  21.955  7.3568  10.73342       13.17188 
1 1 1 -15 -38 40 o 54.705  4.9434  381.959    64.908   302.689    165.029  396.466    70.598   41.800  13.908  55.538  5.3033  -13.73795      14.88525 
1 1 1 -15 -38 41 o 98.410  4.1428  1213.00    98.924   1219.18    167.335  1209.68    122.651  95.384  7.2853  97.269  5.2158  -1.885368      8.959870 
1 1 1 -15 -38 42 o 67.490  4.7472  579.333    77.244   692.843    189.086  556.595    84.628   66.226  12.217  65.740  5.3519  0.4860001      13.33793 
1 1 1 -15 -38 43 o 73.966  7.1274  736.485    126.334  0.0000     0.0000   736.485    126.334  ?       ?       73.966  7.1274  0.000000       7.127444 
1 1 1 -15 -38 44 o 36.232  8.9914  192.464    78.673   0.0000     0.0000   192.464    78.673   ?       ?       36.232  8.9914  0.000000       8.991396 
1 1 1 -15 -38 45 o 28.948  8.9197  122.746    68.843   -59.5112   156.997  166.132    76.600   23.200  10.906  33.407  9.1709  -10.20714      14.24975 
1 1 1 -15 -38 46 o 30.262  6.3405  124.884    45.067   161.994    76.930   105.493    55.608   32.821  9.2583  27.147  7.9394  5.674093       12.19638 
1 1 1 -15 -38 47 o 11.678  5.3663  -20.6076   34.800   -70.8047   64.808   -0.2701    41.251   14.021  6.7098  14.407  6.2796  -0.3861113     9.189930 
1 1 1 -15 -38 48 o 34.840  5.4491  161.006    44.556   90.761     80.454   192.081    53.511   25.515  9.5848  37.766  6.0434  -12.25096      11.33097 
1 1 1 -15 -38 49 o 29.563  6.3227  120.479    43.982   97.226     80.764   130.281    52.440   25.955  9.6320  30.256  7.2399  -4.300648      12.04956 
1 1 1 -15 -38 50 o 35.406  5.4533  167.142    45.345   221.686    82.898   143.855    54.167   38.104  9.0928  31.781  7.1920  6.322487       11.59328 
1 1 1 -15 -38 51 o 9.8894  4.7281  -38.5907   32.015   -35.4041   64.629   -39.6269   36.854   15.387  7.1556  10.814  5.1429  4.573146       8.812021 
1 1 1 -15 -38 52 o 20.989  7.6058  58.771     49.889   107.065    92.373   38.884     59.278   26.503  10.196  19.599  7.9640  6.903881       12.93764 
1 1 1 -15 -38 53 o 19.713  7.4415  48.358     48.622   80.359     88.394   34.475     58.221   24.328  9.7813  19.092  7.8404  5.236034       12.53576 
1 1 1 -15 -38 54 o 29.406  7.2915  126.048    51.769   154.121    97.848   115.135    61.007   30.036  10.679  27.461  8.3859  2.575085       13.57842 
1 1 1 -15 -38 55 o 24.829  8.7413  92.459     65.400   -3.6951    113.005  140.883    80.195   21.086  9.6826  29.412  9.6912  -8.326303      13.69937 
1 1 1 -15 -38 56 o 18.949  7.9068  30.920     60.524   -146.1592  105.816  117.020    73.785   16.058  7.8845  27.239  9.3002  -11.18101      12.19259 
1 1 1 -15 -38 57 o 18.273  7.2914  34.708     48.722   -67.7044   94.811   71.458     56.795   17.267  8.2223  22.532  8.1228  -5.264593      11.55798 
1 1 1 -15 -38 58 o 27.968  7.8245  116.640    55.183   158.409    111.501  103.090    63.505   30.082  11.287  26.030  8.6263  4.052349       14.20590 
1 1 1 -15 -38 59 o 13.100  6.0524  -24.6826   45.112   -135.6796  101.620  2.5609     50.345   15.927  7.8006  15.694  6.8863  0.2325411      10.40527 
1 1 1 -15 -38 60 o 17.979  8.2445  -16.6121   81.539   7.5293     222.302  -20.3650   87.648   25.938  12.417  18.370  8.4692  7.568190       15.02996 
1 1 1 -15 -38 61 o 23.826  9.7179  77.882     88.684   166.467    235.025  63.175     95.763   29.518  13.700  23.136  9.8164  6.382113       16.85368 
1 1 1 -15 -38 62 o 15.485  7.4036  -64.6569   78.501   -391.6023  229.210  -21.2117   83.554   19.749  9.9739  17.734  8.2086  2.014936       12.91743 
1 1 1 -15 -37 1  o 32.062  9.8943  164.141    84.673   471.518    218.174  109.634    91.874   44.724  15.942  27.018  10.222  17.70641       18.93761 
1 1 1 -15 -37 2  o 22.601  8.9864  60.195     73.764   -88.9418   206.706  81.958     78.963   24.512  11.795  24.624  9.4378  -0.1125126     15.10644 
1 1 1 -15 -37 3  o 45.062  8.5349  295.560    89.903   257.764    225.835  302.677    98.003   35.433  15.056  44.921  9.2977  -9.488129      17.69548 
1 1 1 -15 -37 4  o 41.959  8.4402  254.598    82.952   -54.5566   215.824  308.184    89.854   26.133  12.434  46.399  8.2851  -20.26585      14.94107 
1 1 1 -15 -37 5  o 17.657  7.3324  20.456     51.695   83.861     238.234  17.323     52.956   30.656  14.071  17.537  7.3623  13.11919       15.88029 
1 1 1 -15 -37 6  o 26.763  7.9611  101.448    55.515   -14.1976   227.796  108.750    57.241   28.079  13.180  27.634  8.0475  0.4444485      15.44252 
1 1 1 -15 -37 7  o 40.456  5.8261  215.630    55.541   351.456    89.998   132.078    70.586   50.591  7.5636  30.111  8.9814  20.48020       11.74201 
1 1 1 -15 -37 8  o 66.987  4.4970  568.073    72.669   532.918    116.389  590.533    93.030   62.305  7.8747  67.437  5.7400  -5.132565      9.744650 
1 1 1 -15 -37 9  o 77.889  4.4332  765.281    83.438   894.196    132.774  681.145    107.263  82.246  6.7118  72.180  6.1842  10.06612       9.126451 
1 1 1 -15 -37 10 o 80.367  4.4544  813.891    86.523   906.822    136.697  751.776    111.758  82.787  6.8671  75.999  6.1122  6.788551       9.193256 
1 1 1 -15 -37 11 o 45.367  6.3622  271.326    68.108   300.923    83.111   210.811    118.841  47.111  7.5238  36.780  11.774  10.33061       13.97271 
1 1 1 -15 -37 12 o 28.133  6.8398  107.387    46.238   36.397     64.920   180.470    65.870   20.705  8.3620  36.217  7.7311  -15.51207      11.38830 
1 1 1 -15 -37 13 o 34.759  6.7110  161.776    54.550   223.286    86.511   121.176    70.284   39.573  9.1864  29.341  9.0079  10.23151       12.86594 
1 1 1 -15 -37 14 o 24.794  7.5507  82.941     49.509   84.101     80.754   82.242     62.669   25.952  9.6313  25.015  8.5709  0.9371529      12.89275 
1 1 1 -15 -37 15 o 61.348  4.7160  475.276    69.663   437.322    107.071  503.136    91.735   56.835  7.9843  62.298  6.1490  -5.463295      10.07765 
1 1 1 -15 -37 16 o 44.578  9.1212  279.398    95.335   279.398    95.335   0.0000     0.0000   44.578  9.1212  ?       ?       0.000000       9.121211 
1 1 1 -15 -37 17 o 23.660  7.9049  72.808     53.294   -28.0635   96.469   117.117    63.936   20.144  9.1334  29.054  8.5178  -8.909494      12.48889 
1 1 1 -15 -37 18 o 57.277  5.6455  420.815    77.439   425.420    135.694  418.590    94.304   54.072  10.721  56.293  7.0594  -2.220787      12.83659 
1 1 1 -15 -37 19 o 63.625  5.6102  517.951    85.725   516.471    146.086  518.727    105.869  60.018  10.409  62.740  7.0781  -2.721546      12.58728 
1 1 1 -15 -37 20 o 32.743  7.5831  146.155    59.062   165.068    109.667  138.429    70.096   33.657  11.339  31.442  8.8264  2.214647       14.36939 
1 1 1 -15 -37 21 o 25.411  8.2163  86.049     57.762   -11.3201   105.042  128.254    69.157   21.827  9.7423  30.323  8.8498  -8.496258      13.16175 
1 1 1 -15 -37 22 o 20.344  6.9642  50.995     41.374   115.589    79.081   26.650     48.549   29.004  9.6269  18.221  7.2760  10.78361       12.06723 
1 1 1 -15 -37 23 o 54.430  4.4128  371.986    57.778   318.943    100.355  398.285    70.664   47.965  8.9521  55.942  5.2680  -7.976826      10.38708 
1 1 1 -15 -37 24 o 80.415  3.9805  802.872    77.667   855.751    129.391  773.089    97.106   81.179  6.6268  78.163  5.1490  3.016594       8.392034 
1 1 1 -15 -37 25 o 44.111  4.9424  247.219    51.990   267.694    93.519   238.062    62.545   43.773  9.1018  42.733  6.2142  1.040340       11.02079 
1 1 1 -15 -37 26 o 38.536  5.4910  191.344    49.891   125.094    93.035   218.087    59.110   30.156  10.437  40.902  6.1459  -10.74661      12.11211 
1 1 1 -15 -37 27 o 44.275  5.0200  249.387    52.977   346.451    94.082   204.323    64.105   50.728  7.9009  39.179  7.0003  11.54893       10.55600 
1 1 1 -15 -37 28 o 86.199  4.0041  922.710    83.747   978.149    138.394  890.679    105.194  86.833  6.6183  83.893  5.1933  2.940491       8.412671 
1 1 1 -15 -37 29 o 54.138  4.5941  369.006    59.779   370.746    104.173  368.152    72.993   52.085  8.5389  53.558  5.7046  -1.473431      10.26910 
1 1 1 -15 -37 30 o 18.523  8.4146  -30.6072   82.395   -30.6072   82.395   0.0000     0.0000   18.523  8.4146  ?       ?       0.000000       8.414608 
1 1 1 -15 -37 31 o 25.914  9.9623  76.972     88.149   76.972     88.149   0.0000     0.0000   25.914  9.9623  ?       ?       0.000000       9.962335 
1 1 1 -15 -37 32 o 43.238  5.3260  239.462    54.696   199.431    96.332   258.507    66.446   37.014  10.332  44.484  6.3349  -7.470692      12.11944 
1 1 1 -15 -37 33 o 65.099  4.8550  534.948    76.136   506.694    169.617  542.077    85.202   57.557  12.503  65.217  5.4337  -7.660652      13.63274 
1 1 1 -15 -37 34 o 51.494  4.2727  332.646    52.903   318.464    108.089  337.114    60.666   47.345  9.7342  51.574  4.9070  -4.229374      10.90111 
1 1 1 -15 -37 35 o 11.839  5.0974  -0.6230    26.514   -138.5963  83.571   14.819     27.958   14.580  7.1269  13.982  5.5410  0.5983849      9.027466 
1 1 1 -15 -37 36 o 37.977  7.4310  194.979    66.022   192.969    143.672  195.517    74.336   35.700  12.912  37.552  8.3718  -1.852406      15.38827 
1 1 1 -15 -37 37 o 60.193  6.3618  471.613    91.509   566.777    171.762  433.897    108.132  61.265  11.984  56.558  8.1118  4.707623       14.47099 
1 1 1 -15 -37 38 o 24.428  7.8670  79.467     52.996   7.4529     127.807  94.419     58.238   24.463  10.842  26.330  8.2190  -1.867914      13.60542 
1 1 1 -15 -37 39 o 26.069  7.9891  92.670     55.313   25.307     139.493  105.238    60.253   26.007  11.436  27.601  8.3128  -1.594248      14.13781 
1 1 1 -15 -37 40 o 15.745  6.4495  14.966     39.274   -236.3788  126.008  42.010     41.332   16.856  8.3380  19.094  6.9224  -2.237734      10.83701 
1 1 1 -15 -37 41 o 56.548  5.5323  411.515    74.936   0.0000     0.0000   411.515    74.936   ?       ?       56.548  5.5323  0.000000       5.532334 
1 1 1 -15 -37 42 o 80.437  5.1807  825.102    100.576  0.0000     0.0000   825.102    100.576  ?       ?       80.437  5.1807  0.000000       5.180745 
1 1 1 -15 -37 43 o 72.079  5.2213  664.682    90.698   0.0000     0.0000   664.682    90.698   ?       ?       72.079  5.2213  0.000000       5.221336 
1 1 1 -15 -37 44 o 65.817  6.2266  568.185    98.256   786.994    196.000  494.738    113.555  71.475  11.707  59.969  8.0037  11.50510       14.18148 
1 1 1 -15 -37 45 o 32.670  8.1901  151.821    64.801   367.611    113.743  48.125     78.848   50.059  9.7147  22.544  9.1754  27.51554       13.36277 
1 1 1 -15 -37 46 o 16.298  6.9456  8.6964     48.318   -116.7958  100.278  46.641     55.141   16.876  8.1440  20.528  7.8823  -3.652336      11.33377 
1 1 1 -15 -37 47 o 25.531  6.4339  89.306     39.842   117.267    74.681   78.182     47.106   28.305  9.3534  23.798  7.3859  4.506760       11.91790 
1 1 1 -15 -37 48 o 30.463  5.9849  125.088    42.660   195.141    79.705   96.964     50.502   36.204  9.0872  26.188  7.5396  10.01606       11.80777 
1 1 1 -15 -37 49 o 50.255  4.5857  324.014    55.302   348.684    97.363   312.264    67.194   49.199  8.4611  48.547  5.8203  0.6516495      10.26966 
1 1 1 -15 -37 50 o 17.121  6.5378  31.398     37.803   10.678     72.778   39.054     44.240   19.052  8.3216  18.617  7.0812  0.4357262      10.92669 
1 1 1 -15 -37 51 o 28.468  6.4045  112.289    43.168   135.240    82.470   103.627    50.664   29.430  9.8334  26.833  7.4938  2.596846       12.36332 
1 1 1 -15 -37 52 o 18.690  7.2152  39.088     46.383   99.099     85.350   13.936     55.255   26.036  9.8518  17.295  7.4004  8.741150       12.32170 
1 1 1 -15 -37 53 o 25.559  7.7668  95.536     52.425   86.742     103.387  98.580     60.825   25.475  10.453  25.757  8.4378  -0.2817402     13.43376 
1 1 1 -15 -37 54 o 10.694  5.1935  -63.3124   42.417   -142.1145  95.594   -43.9939   47.331   15.256  7.4912  12.436  5.8891  2.820052       9.528824 
1 1 1 -15 -37 55 o 11.247  5.5189  -88.9408   51.599   -70.8587   113.417  -93.6603   57.943   18.885  8.9929  12.050  5.8993  6.835379       10.75523 
1 1 1 -15 -37 56 o 23.145  8.7651  73.628     67.595   46.688     133.706  82.877     78.343   24.426  10.940  24.275  9.3755  0.1509686      14.40815 
1 1 1 -15 -37 57 o 16.833  7.1863  14.232     51.891   121.001    130.506  -5.8181    56.554   27.889  11.622  15.962  7.1346  11.92713       13.63680 
1 1 1 -15 -37 58 o 17.645  7.2527  26.157     49.878   14.520     105.885  29.476     56.545   21.576  9.6947  18.579  7.6881  2.996469       12.37317 
1 1 1 -15 -37 59 o 20.116  7.6889  49.528     52.320   60.622     115.205  46.645     58.725   24.315  10.547  20.254  8.0292  4.060724       13.25515 
1 1 1 -15 -37 60 o 19.229  8.6490  0.7738     84.529   84.932     225.604  -12.9699   91.170   28.236  13.210  19.142  8.7557  9.094387       15.84813 
1 1 1 -15 -37 61 o 41.185  10.310  281.466    102.799  388.929    241.303  257.638    113.626  37.307  15.692  37.872  11.418  -0.5657692     19.40596 
1 1 1 -15 -37 62 o 29.045  13.852  132.473    271.197  132.473    271.197  0.0000     0.0000   29.045  13.852  ?       ?       0.000000       13.85157 
1 1 1 -15 -37 63 o 20.962  9.1595  35.983     88.256   -112.4380  266.852  54.211     93.518   24.365  12.067  22.283  9.5835  2.082844       15.40938 
1 1 1 -15 -36 1  o 41.078  7.5262  236.802    72.251   144.000    106.105  317.035    98.658   30.284  11.074  46.309  9.1048  -16.02474      14.33630 
1 1 1 -15 -36 2  o 35.427  7.2883  175.013    60.560   165.728    88.462   183.202    83.080   32.721  10.116  34.750  9.5556  -2.028801      13.91550 
1 1 1 -15 -36 3  o 31.191  9.2414  144.435    74.918   40.635     207.312  160.027    80.347   28.743  13.168  32.635  9.5432  -3.891336      16.26237 
1 1 1 -15 -36 4  o 49.579  7.8650  340.888    91.457   261.190    239.472  354.497    98.958   37.272  15.652  50.123  8.4364  -12.85109      17.78094 
1 1 1 -15 -36 5  o 22.012  8.7316  49.715     69.490   0.0000     0.0000   49.715     69.490   ?       ?       22.012  8.7316  0.000000       8.731608 
1 1 1 -15 -36 6  o 29.143  9.0053  121.327    70.115   35.663     165.715  140.007    77.383   27.498  12.258  31.030  9.4376  -3.531086      15.47005 
1 1 1 -15 -36 7  o 41.782  8.0916  241.962    79.069   202.162    176.989  251.887    88.379   35.665  14.002  42.103  8.9280  -6.437851      16.60635 
1 1 1 -15 -36 8  o 47.657  6.1566  297.182    69.528   475.779    226.003  278.512    73.072   50.225  16.253  45.769  6.7853  4.455528       17.61295 
1 1 1 -15 -36 9  o 14.273  6.2401  -3.9711    41.009   -32.8469   72.500   9.6141     49.728   17.083  7.8117  16.746  7.0878  0.3367805      10.54797 
1 1 1 -15 -36 10 o 21.150  7.0658  56.929     42.581   64.900     61.808   49.728     58.745   23.169  8.4551  21.437  8.1584  1.732700       11.74940 
1 1 1 -15 -36 11 o 29.717  7.5221  120.808    54.288   139.857    64.317   73.611     101.240  31.713  8.2720  26.316  10.508  5.397051       13.37292 
1 1 1 -15 -36 12 o 58.217  4.4615  425.942    62.543   406.861    93.727   441.259    83.974   55.447  7.1320  58.461  6.0052  -3.014538      9.323477 
1 1 1 -15 -36 13 o 79.997  4.1769  798.703    80.794   876.183    120.391  735.215    108.979  82.558  6.0521  75.640  5.9867  6.917999       8.512858 
1 1 1 -15 -36 14 o 73.316  4.3423  672.418    76.904   616.971    111.873  722.092    105.890  68.741  6.7963  75.076  5.8593  -6.335106      8.973362 
1 1 1 -15 -36 15 o 24.315  7.8864  77.696     53.186   109.137    79.691   52.443     71.419   28.424  9.6655  22.813  8.9122  5.611181       13.14720 
1 1 1 -15 -36 16 o 43.976  4.7376  244.704    49.755   172.025    91.532   275.185    59.277   34.585  10.206  46.405  5.3633  -11.82013      11.52979 
1 1 1 -15 -36 17 o 49.305  4.4624  305.539    52.808   396.715    96.913   267.035    62.978   54.649  7.5070  45.508  5.8381  9.140892       9.509888 
1 1 1 -15 -36 18 f 39.961  6.8614  211.198    64.133   128.898    112.064  251.280    78.206   31.020  11.375  43.217  7.7424  -12.19669      13.75992 
1 1 1 -15 -36 19 o 30.049  7.7729  123.038    57.101   174.245    105.968  102.086    67.783   34.679  11.120  27.525  8.9006  7.154579       14.24327 
1 1 1 -15 -36 20 o 24.199  8.1692  75.092     56.924   68.613     103.439  77.907     68.175   26.380  10.590  25.024  8.9125  1.355846       13.84123 
1 1 1 -15 -36 21 o 74.822  5.4580  710.169    98.407   638.956    161.989  751.821    123.887  67.473  10.214  76.116  6.7789  -8.643082      12.25874 
1 1 1 -15 -36 22 o 57.154  5.8056  418.077    79.394   354.878    138.105  449.273    97.031   48.867  11.784  58.627  6.9567  -9.759674      13.68445 
1 1 1 -15 -36 23 o 14.674  6.2850  1.7949     39.923   116.517    74.784   -43.9310   47.214   29.211  9.3388  12.792  6.0031  16.41909       11.10187 
1 1 1 -15 -36 24 o 19.373  7.0117  42.340     42.381   147.868    81.194   2.8217     49.687   32.474  9.6206  16.311  6.9994  16.16309       11.89733 
1 1 1 -15 -36 25 o 22.516  7.0199  65.915     42.499   53.391     78.594   71.091     50.522   23.566  9.3056  23.485  7.6899  0.8033752E-01  12.07178 
1 1 1 -15 -36 26 o 27.763  6.8425  103.051    45.799   150.171    86.104   84.461     54.084   32.667  9.9597  25.257  7.9264  7.409658       12.72884 
1 1 1 -15 -36 27 o 24.635  7.1064  80.720     44.826   111.928    82.664   67.720     53.352   28.909  9.8441  23.202  7.9084  5.706398       12.62728 
1 1 1 -15 -36 28 o 21.464  7.1427  57.925     43.523   15.542     85.670   72.670     50.529   21.548  9.2172  23.679  7.6874  -2.131693      12.00220 
1 1 1 -15 -36 29 o 59.632  7.7806  472.452    109.896  472.452    109.896  0.0000     0.0000   59.632  7.7806  ?       ?       0.000000       7.780556 
1 1 1 -15 -36 30 o 73.707  7.1120  709.522    125.614  709.522    125.614  0.0000     0.0000   73.707  7.1120  ?       ?       0.000000       7.112026 
1 1 1 -15 -36 31 o 32.937  6.5408  143.468    50.429   137.105    92.181   146.185    60.243   31.379  10.393  32.814  7.6989  -1.435436      12.93374 
1 1 1 -15 -36 32 o 41.287  4.8842  216.268    47.982   221.374    98.326   214.671    54.971   39.250  10.223  40.817  5.7066  -1.566345      11.70776 
1 1 1 -15 -36 33 o 45.720  4.4679  262.901    48.931   352.962    99.770   234.379    56.147   51.043  8.3439  42.737  5.5451  8.305931       10.01841 
1 1 1 -15 -36 34 o 51.310  4.3589  330.095    53.754   454.098    109.424  290.650    61.714   58.255  7.9488  47.698  5.4291  10.55655       9.625903 
1 1 1 -15 -36 35 o 41.725  4.7708  220.564    47.432   225.402    100.111  219.163    53.861   39.483  10.331  41.305  5.5115  -1.822533      11.70895 
1 1 1 -15 -36 36 o 14.310  5.6606  15.681     29.128   -86.7785   87.476   28.458     30.891   16.786  7.9656  16.310  5.9735  0.4757767      9.956596 
1 1 1 -15 -36 37 o 65.556  6.0007  552.443    94.392   647.887    169.803  509.760    113.554  67.193  10.779  61.836  7.7377  5.357365       13.26906 
1 1 1 -15 -36 38 o 77.694  5.9927  774.896    112.101  1094.15    198.423  625.222    135.861  89.139  9.3115  67.972  8.4176  21.16603       12.55229 
1 1 1 -15 -36 39 o 55.844  6.4875  406.493    86.268   487.020    159.917  373.439    102.455  56.914  11.960  52.364  8.3438  4.550472       14.58297 
1 1 1 -15 -36 40 o 81.669  5.3488  847.786    105.408  0.0000     0.0000   847.786    105.408  ?       ?       81.669  5.3488  0.000000       5.348835 
1 1 1 -15 -36 41 o 14.726  6.4175  -2.9347    43.064   0.0000     0.0000   -2.9347    43.064   ?       ?       14.726  6.4175  0.000000       6.417515 
1 1 1 -15 -36 42 o 28.896  7.5544  114.591    53.563   0.0000     0.0000   114.591    53.563   ?       ?       28.896  7.5544  0.000000       7.554443 
1 1 1 -15 -36 43 o 56.428  4.6850  402.894    63.566   385.200    121.928  409.498    74.490   51.574  10.105  56.456  5.5080  -4.882275      11.50847 
1 1 1 -15 -36 44 o 40.008  5.1464  205.934    48.802   153.531    82.662   233.971    60.463   32.476  9.7268  42.237  6.0745  -9.760292      11.46780 
1 1 1 -15 -36 45 o 13.126  5.9885  -21.7975   42.300   1.5038     94.714   -27.6031   47.277   21.181  9.3634  13.620  6.2573  7.561455       11.26178 
1 1 1 -15 -36 46 o 18.982  7.4831  33.983     50.745   -85.1049   103.631  71.543     58.200   18.353  8.6976  23.454  8.2471  -5.101501      11.98594 
1 1 1 -15 -36 47 o 39.156  7.0588  208.896    64.598   -78.1970   127.661  307.706    74.894   20.726  9.7714  47.988  6.6072  -27.26173      11.79557 
1 1 1 -15 -36 48 o 33.357  5.6898  147.299    44.400   79.598     81.767   175.608    52.874   25.077  9.6057  36.201  6.2452  -11.12386      11.45738 
1 1 1 -15 -36 49 o 37.840  5.3813  187.651    48.016   189.411    86.456   186.866    57.739   35.288  9.7660  37.062  6.6658  -1.773727      11.82400 
1 1 1 -15 -36 50 o 39.752  5.4001  207.488    50.739   228.449    96.728   199.531    59.596   38.283  10.221  38.246  6.6641  0.3660583E-01  12.20182 
1 1 1 -15 -36 51 o 6.6060  3.3535  -104.1430  28.371   -133.7162  65.488   -97.3103   31.478   12.047  5.9683  7.4255  3.7435  4.621740       7.045184 
1 1 1 -15 -36 52 o 28.697  6.5953  114.502    44.960   74.984     92.327   126.785    51.476   24.669  9.9690  29.912  7.1829  -5.242987      12.28716 
1 1 1 -15 -36 53 o 21.509  7.8884  60.286     53.896   -4.4182    108.958  81.246     62.014   21.238  9.6591  24.014  8.5058  -2.775913      12.87040 
1 1 1 -15 -36 54 o 20.497  7.6492  52.808     51.077   89.164     106.874  42.047     58.147   25.867  10.623  19.911  7.9587  5.955462       13.27324 
1 1 1 -15 -36 55 o 21.424  7.6562  61.725     50.351   -43.4645   107.688  91.155     56.960   19.456  9.1098  24.960  8.1648  -5.504709      12.23322 
1 1 1 -15 -36 56 o 28.409  9.0694  124.636    70.551   95.533     128.936  137.074    84.288   26.722  11.366  29.261  9.9404  -2.538542      15.09954 
1 1 1 -15 -36 57 o 39.814  8.7521  239.421    82.245   160.696    153.224  271.283    97.478   30.370  12.619  41.342  9.8563  -10.97269      16.01178 
1 1 1 -15 -36 58 o 17.385  7.2472  21.620     50.777   -40.1197   109.380  38.580     57.329   19.707  9.2127  19.495  7.8634  0.2118359      12.11230 
1 1 1 -15 -36 59 o 15.851  6.9451  1.9379     51.044   -17.8745   113.461  6.9652     57.154   20.874  9.6281  16.967  7.3937  3.906925       12.13945 
1 1 1 -15 -36 60 o 16.212  7.6802  -60.4641   80.660   -385.0067  238.661  -18.6136   85.703   21.073  10.583  18.506  8.4737  2.567226       13.55751 
1 1 1 -15 -36 61 o 17.834  8.2478  -28.6674   84.089   137.593    227.237  -55.0465   90.514   29.840  13.713  17.397  8.2097  12.44316       15.98259 
1 1 1 -15 -36 62 o 44.293  10.760  330.588    114.498  407.394    283.997  315.681    125.117  36.459  16.161  41.731  11.820  -5.271187      20.02179 
1 1 1 -15 -36 63 o 32.127  10.850  184.264    100.417  280.667    279.852  170.017    107.581  32.241  14.958  30.624  11.158  1.616259       18.66154 
1 1 1 -15 -35 1  o 11.799  5.4860  -28.7691   37.952   45.652     67.698   -62.8792   45.832   21.423  8.5788  11.463  5.5252  9.960670       10.20410 
1 1 1 -15 -35 2  o 59.549  4.7008  451.390    67.370   523.212    109.410  407.528    85.502   62.093  7.4081  55.421  6.4806  6.672203       9.842617 
1 1 1 -15 -35 3  o 31.550  6.6879  134.885    49.608   180.382    84.652   111.088    61.222   34.958  9.6591  28.069  8.3627  6.888916       12.77628 
1 1 1 -15 -35 4  o 18.857  7.4040  33.406     49.491   28.434     72.091   37.838     68.065   20.708  8.6341  21.052  8.5412  -0.3436356     12.14494 
1 1 1 -15 -35 5  o 22.852  8.6740  59.490     66.293   59.859     219.433  59.453     69.542   31.091  13.964  23.068  8.8533  8.023016       16.53414 
1 1 1 -15 -35 6  o 25.390  8.6545  85.369     63.893   49.158     154.518  92.837     70.174   27.937  12.166  26.362  9.0678  1.575642       15.17352 
1 1 1 -15 -35 7  o 26.127  8.4988  92.064     61.747   91.742     171.880  92.112     66.164   30.769  13.106  26.234  8.8076  4.534971       15.79048 
1 1 1 -15 -35 8  o 67.638  6.7339  597.896    109.045  1087.47    243.331  474.873    121.979  85.351  12.088  58.751  8.8297  26.60005       14.96906 
1 1 1 -15 -35 9  o 43.111  7.9601  252.355    80.199   323.730    168.968  231.600    91.116   44.492  14.018  40.419  9.4584  4.073269       16.91035 
1 1 1 -15 -35 10 o 21.620  7.6120  56.746     49.594   -26.3997   141.898  68.316     52.932   24.375  11.061  23.180  7.8773  1.194605       13.57964 
1 1 1 -15 -35 11 f 13.289  5.8645  -7.8837    36.999   -42.3124   52.731   25.504     51.927   13.808  6.4354  18.548  7.4829  -4.739543      9.869534 
1 1 1 -15 -35 12 o 50.806  4.5651  324.619    55.676   368.064    82.995   289.070    75.075   53.170  6.5730  46.936  6.7894  6.234257       9.449921 
1 1 1 -15 -35 13 o 54.390  4.4730  371.058    58.508   332.612    87.813   401.750    78.460   50.059  7.4572  55.973  5.8641  -5.913944      9.486700 
1 1 1 -15 -35 14 o 56.262  3.8458  393.449    52.186   472.156    90.478   354.211    63.884   60.529  6.2505  52.916  5.0363  7.613701       8.027036 
1 1 1 -15 -35 15 o 95.919  3.7333  1137.02    86.887   1225.19    140.021  1081.80    110.800  98.072  5.9118  92.808  4.9381  5.263710       7.702832 
1 1 1 -15 -35 16 o 16.222  6.3525  22.044     36.351   58.371     72.303   9.7558     42.051   23.519  9.0271  15.767  6.5858  7.751985       11.17407 
1 1 1 -15 -35 17 o 19.340  6.7923  43.876     39.472   21.502     79.243   51.259     45.521   21.329  8.9828  20.759  7.2940  0.5694923      11.57122 
1 1 1 -15 -35 18 o 49.900  4.4645  312.054    53.484   203.460    94.398   363.395    64.908   37.861  10.092  53.650  5.0454  -15.78847      11.28299 
1 1 1 -15 -35 19 o 27.772  6.3431  101.879    41.806   102.640    81.385   101.607    48.726   28.103  9.7597  27.546  7.2071  0.5563450      12.13234 
1 1 1 -15 -35 20 o 53.890  5.9774  371.842    76.843   321.336    130.934  398.378    94.907   46.883  11.579  55.137  7.2714  -8.253590      13.67245 
1 1 1 -15 -35 21 f 33.873  7.8659  155.049    63.410   111.831    112.702  175.068    76.703   30.122  11.339  35.632  8.8984  -5.510178      14.41337 
1 1 1 -15 -35 22 o 39.928  7.0628  210.153    65.922   126.280    119.328  246.993    79.085   31.434  11.699  42.982  7.8731  -11.54869      14.10188 
1 1 1 -15 -35 23 o 92.684  5.3892  1082.19    120.674  1111.44    196.186  1064.39    153.052  91.025  9.0006  90.778  7.0026  0.2467422      11.40383 
1 1 1 -15 -35 24 o 71.189  4.4588  631.905    76.631   627.460    161.601  633.194    87.039   67.319  10.214  70.975  5.0878  -3.656586      11.41105 
1 1 1 -15 -35 25 o 99.898  3.9588  1233.65    95.958   1145.83    152.342  1291.41    123.548  94.465  6.6897  101.644 5.0095  -7.178650      8.357411 
1 1 1 -15 -35 26 o 71.843  4.0702  640.644    70.660   648.097    118.492  636.531    88.023   70.744  6.9946  71.142  5.1337  -0.3983688     8.676390 
1 1 1 -15 -35 27 o 90.743  4.9047  1030.84    107.591  1003.88    142.797  1066.23    163.638  88.372  6.7096  90.446  7.5247  -2.073936      10.08167 
1 1 1 -15 -35 28 o 17.292  7.9389  -42.5492   75.911   -42.5492   75.911   0.0000     0.0000   17.292  7.9389  ?       ?       0.000000       7.938868 
1 1 1 -15 -35 29 o 45.506  8.9357  282.929    95.143   282.929    95.143   0.0000     0.0000   45.506  8.9357  ?       ?       0.000000       8.935662 
1 1 1 -15 -35 30 o 59.570  4.3994  443.046    63.139   442.802    109.413  443.168    77.311   57.737  8.0271  59.138  5.4491  -1.400658      9.701900 
1 1 1 -15 -35 31 o 21.238  6.4503  58.271     36.167   126.318    87.664   44.314     39.703   30.500  10.136  19.437  6.8129  11.06299       12.21327 
1 1 1 -15 -35 32 o 34.820  5.0695  154.710    41.574   89.446     91.066   171.894    46.728   27.362  10.213  36.614  5.4238  -9.252554      11.56409 
1 1 1 -15 -35 33 o 13.536  5.6959  4.7650     31.818   57.410     88.001   -3.1522    34.127   24.658  9.8119  13.189  5.7304  11.46933       11.36267 
1 1 1 -15 -35 34 o 19.033  6.4380  44.006     35.354   137.846    85.073   24.416     38.870   31.509  9.9487  16.848  6.5768  14.66089       11.92603 
1 1 1 -15 -35 35 o 96.285  3.9331  1147.70    91.888   1263.13    157.824  1088.50    113.019  99.042  6.6053  93.061  5.0238  5.980499       8.298655 
1 1 1 -15 -35 36 o 61.569  4.1450  472.424    61.562   554.250    117.106  441.175    72.369   64.802  7.5917  59.088  5.0975  5.713093       9.144326 
1 1 1 -15 -35 37 o 59.368  5.4734  448.213    77.957   486.631    116.932  417.474    104.593  60.241  8.2138  55.917  7.9312  4.324257       11.41802 
1 1 1 -15 -35 38 o 38.009  7.3912  193.538    65.711   203.692    137.629  190.540    74.785   36.955  12.700  37.209  8.4730  -0.2544861     15.26680 
1 1 1 -15 -35 39 o 24.164  8.5935  72.012     63.361   0.0000     0.0000   72.012     63.361   ?       ?       24.164  8.5935  0.000000       8.593530 
1 1 1 -15 -35 40 o 16.539  7.0653  5.0507     50.217   0.0000     0.0000   5.0507     50.217   ?       ?       16.539  7.0653  0.000000       7.065252 
1 1 1 -15 -35 41 o 48.234  5.7211  299.134    65.652   0.0000     0.0000   299.134    65.652   ?       ?       48.234  5.7211  0.000000       5.721068 
1 1 1 -15 -35 42 o 70.113  4.2916  614.864    72.658   852.769    132.577  512.734    86.865   80.852  6.8216  63.264  5.7207  17.58852       8.902884 
1 1 1 -15 -35 43 o 25.378  6.6679  86.456     41.594   79.341     70.918   90.188     51.354   25.145  9.0749  25.810  7.6522  -0.6648655     11.87059 
1 1 1 -15 -35 44 o 38.143  4.9977  186.225    45.141   216.665    80.083   172.049    54.650   39.388  8.6189  36.018  6.4921  3.369762       10.79045 
1 1 1 -15 -35 45 f 15.437  6.6970  -0.5334    46.471   -7.4676    87.733   2.1709     54.789   20.162  8.9575  16.853  7.2916  3.309050       11.55007 
1 1 1 -15 -35 46 o 29.597  7.7605  121.544    56.416   66.191     115.593  138.851    64.637   26.416  10.967  31.408  8.3411  -4.992073      13.77830 
1 1 1 -15 -35 47 o 37.603  7.1911  192.379    63.221   314.520    126.973  152.118    72.899   44.898  11.580  32.508  8.9560  12.38988       14.63899 
1 1 1 -15 -35 48 o 62.894  4.2977  499.009    65.194   578.842    115.167  461.362    79.085   65.445  7.3815  59.732  5.5191  5.712879       9.216624 
1 1 1 -15 -35 49 o 13.224  5.7991  -4.0952    35.657   -21.3049   76.681   0.6529     40.277   17.964  8.1441  14.435  6.2486  3.529115       10.26505 
1 1 1 -15 -35 50 o 21.731  6.9130  63.445     41.017   172.299    84.859   30.260     46.854   33.730  9.7914  18.091  7.1718  15.63929       12.13698 
1 1 1 -15 -35 51 o 21.203  7.0261  59.817     42.131   -104.5217  85.286   112.865    48.456   15.497  7.4865  28.437  7.0561  -12.94049      10.28763 
1 1 1 -15 -35 52 o 89.797  4.2843  1020.62    93.348   896.354    159.690  1085.12    115.051  79.343  8.4236  91.579  5.1991  -12.23588      9.898841 
1 1 1 -15 -35 53 o 20.370  7.6108  50.493     50.594   69.552     105.449  44.794     57.665   24.990  10.433  20.296  7.9847  4.693882       13.13763 
1 1 1 -15 -35 54 o 27.528  8.0203  110.796    56.843   97.410     113.356  115.292    65.701   26.814  10.967  27.783  8.7391  -0.9692955     14.02346 
1 1 1 -15 -35 55 o 31.437  7.5613  142.551    56.973   243.156    116.018  110.581    65.401   37.459  11.585  27.189  8.7377  10.27003       14.51104 
1 1 1 -15 -35 56 f 18.778  8.0918  17.354     66.930   45.086     126.932  6.6740     78.771   24.433  10.818  19.240  8.5205  5.193092       13.77080 
1 1 1 -15 -35 57 o 45.651  8.0654  301.962    86.072   518.175    151.251  198.412    104.673  55.649  11.579  34.176  11.061  21.47248       16.01308 
1 1 1 -15 -35 58 o 19.681  7.6137  44.469     51.732   -45.6798   113.146  68.295     58.168   19.906  9.3262  22.499  8.2036  -2.592390      12.42079 
1 1 1 -15 -35 59 o 24.323  8.1185  84.877     56.212   115.040    119.918  76.382     63.637   27.875  11.327  23.531  8.5804  4.344784       14.21009 
1 1 1 -15 -35 60 o 19.402  7.7021  39.661     54.108   168.574    120.758  7.2783     60.523   31.344  11.749  17.424  7.6002  13.91985       13.99285 
1 1 1 -15 -35 61 o 31.113  14.495  152.870    267.081  152.870    267.081  0.0000     0.0000   31.113  14.495  ?       ?       0.000000       14.49486 
1 1 1 -15 -35 62 o 34.062  11.254  203.244    108.117  253.291    276.692  194.225    117.455  33.134  15.191  32.890  11.700  0.2441177      19.17467 
1 1 1 -15 -35 63 o 19.480  8.7951  0.7017     88.369   -64.5773   264.321  8.9163     93.764   25.929  12.674  20.303  9.1228  5.626011       15.61606 
1 1 1 -15 -34 1  f 38.504  5.7985  194.233    52.493   195.481    88.943   193.566    65.025   36.372  9.8398  37.619  7.3873  -1.247154      12.30421 
1 1 1 -15 -34 2  o 79.503  4.3785  794.280    84.139   1016.02    132.201  643.306    109.084  88.459  6.1984  70.088  6.4879  18.37090       8.972917 
1 1 1 -15 -34 3  o 25.365  6.8714  86.957     43.339   0.3649     74.115   131.950    53.425   19.149  8.3799  31.130  7.2140  -11.98076      11.05735 
1 1 1 -15 -34 4  o 16.070  6.5138  17.383     39.546   38.617     68.760   6.8873     48.342   21.346  8.6111  16.358  6.9586  4.988098       11.07126 
1 1 1 -15 -34 5  o 25.337  7.1167  86.418     45.556   139.394    79.925   60.926     55.444   31.390  9.6007  22.433  8.0322  8.956760       12.51760 
1 1 1 -15 -34 6  o 72.053  4.9508  655.051    86.029   678.480    117.023  627.498    126.904  72.164  6.7621  68.654  7.7540  3.510254       10.28836 
1 1 1 -15 -34 7  o 13.439  5.7908  -0.4700    34.273   8.4575     47.110   -10.5077   49.953   16.374  6.9127  15.317  6.7842  1.056974       9.685566 
1 1 1 -15 -34 8  o 13.489  6.2567  -36.5753   48.910   -50.9309   133.250  -34.3400   52.581   22.860  10.504  14.234  6.5614  8.626274       12.38455 
1 1 1 -15 -34 9  o 17.613  7.5387  5.6524     57.375   10.907     138.510  4.5641     63.037   25.795  11.367  18.271  7.8632  7.523611       13.82175 
1 1 1 -15 -34 10 o 25.863  8.7473  86.746     65.267   234.923    141.631  46.796     73.541   39.355  12.875  22.633  8.9811  16.72198       15.69778 
1 1 1 -15 -34 11 o 66.158  6.2047  561.805    98.439   519.233    181.435  579.565    117.187  58.417  13.121  66.463  7.3919  -8.046902      15.05985 
1 1 1 -15 -34 12 o 25.295  7.6347  84.890     50.783   -73.7725   137.989  109.746    54.616   22.597  10.491  28.507  7.7101  -5.910414      13.01938 
1 1 1 -15 -34 13 o 74.569  3.6585  685.971    66.194   878.629    110.406  577.855    82.708   83.375  5.4882  67.757  5.0674  15.61773       7.469822 
1 1 1 -15 -34 14 o 53.179  3.8687  351.164    49.578   412.931    85.824   320.229    60.738   56.648  6.3534  50.367  5.0374  6.280632       8.108131 
1 1 1 -15 -34 15 o 9.4232  4.3894  -21.7285   24.477   -127.4352  49.509   12.467     28.159   9.9980  4.9915  13.778  5.5274  -3.780326      7.447629 
1 1 1 -15 -34 16 o 23.554  5.8054  72.646     32.967   59.609     61.593   77.879     39.027   22.953  8.4306  24.308  6.4937  -1.354366      10.64162 
1 1 1 -15 -34 17 f 13.069  5.6853  -3.7692    33.672   18.131     53.144   -18.4565   43.522   18.165  7.4788  13.747  6.1925  4.417842       9.709759 
1 1 1 -15 -34 18 o 89.527  3.8178  988.542    82.934   1117.37    135.517  911.399    104.865  93.908  5.9785  85.284  5.0907  8.623734       7.852254 
1 1 1 -15 -34 19 o 28.297  6.5175  105.499    43.826   130.246    80.718   95.154     52.189   30.979  9.6771  26.758  7.6528  4.220505       12.33741 
1 1 1 -15 -34 20 o 49.160  4.5791  302.383    53.992   254.151    94.476   325.775    65.794   43.071  9.3115  50.739  5.4284  -7.668526      10.77833 
1 1 1 -15 -34 21 o 64.483  6.9876  536.453    107.580  0.0000     0.0000   536.453    107.580  ?       ?       64.483  6.9876  0.000000       6.987614 
1 1 1 -15 -34 22 o 101.320 7.0413  1317.49    172.031  0.0000     0.0000   1317.49    172.031  ?       ?       101.320 7.0413  0.000000       7.041338 
1 1 1 -15 -34 23 o 29.498  8.1846  116.801    60.642   204.788    109.691  78.074     72.774   38.019  11.160  25.594  9.1983  12.42481       14.46201 
1 1 1 -15 -34 24 o 55.793  6.2324  397.558    82.930   330.408    142.613  431.866    101.937  47.616  12.268  57.573  7.4733  -9.957409      14.36480 
1 1 1 -15 -34 25 o 49.422  6.6662  315.119    77.901   195.413    131.942  379.179    96.520   37.167  12.438  53.836  7.6002  -16.66941      14.57610 
1 1 1 -15 -34 26 o 35.232  10.002  172.025    89.483   172.025    89.483   0.0000     0.0000   35.232  10.002  ?       ?       0.000000       10.00155 
1 1 1 -15 -34 27 o 103.715 6.4610  1368.35    161.788  1368.35    161.788  0.0000     0.0000   103.715 6.4610  ?       ?       0.000000       6.461031 
1 1 1 -15 -34 28 o 60.929  7.5625  484.183    109.399  484.183    109.399  0.0000     0.0000   60.929  7.5625  ?       ?       0.000000       7.562467 
1 1 1 -15 -34 29 o 53.731  4.6067  360.863    59.478   356.859    102.860  362.875    72.902   51.703  8.4942  53.470  5.7072  -1.767712      10.23348 
1 1 1 -15 -34 30 o 24.301  6.3273  77.558     37.674   163.693    87.659   58.044     41.724   34.357  9.9454  21.503  6.9858  12.85411       12.15367 
1 1 1 -15 -34 31 o 82.277  3.8480  835.053    76.821   958.361    132.498  772.612    94.286   86.727  6.3403  78.566  4.9716  8.160706       8.057055 
1 1 1 -15 -34 32 o 13.982  5.7740  8.5960     31.800   -7.0942    85.677   11.103     34.246   20.390  8.9641  14.691  6.0209  5.698323       10.79840 
1 1 1 -15 -34 33 o 18.322  6.2893  39.713     33.750   23.939     85.378   42.634     36.743   22.221  9.3394  18.996  6.5599  3.224884       11.41301 
1 1 1 -15 -34 34 o 18.024  6.4885  36.000     36.226   133.841    88.009   16.041     39.750   31.304  10.144  16.086  6.5268  15.21855       12.06230 
1 1 1 -15 -34 35 o 55.370  4.2419  382.165    56.556   416.361    109.942  369.860    65.952   55.789  8.3808  54.155  5.0784  1.633507       9.799393 
1 1 1 -15 -34 36 o 71.255  4.0431  630.353    69.615   881.887    124.436  515.765    83.988   83.090  6.2172  63.816  5.4771  19.27389       8.285634 
1 1 1 -15 -34 37 o 21.629  6.9358  59.642     41.225   97.666     97.127   51.287     45.530   28.322  10.552  20.782  7.2952  7.540510       12.82860 
1 1 1 -15 -34 38 o 61.317  7.3121  492.734    106.644  0.0000     0.0000   492.734    106.644  ?       ?       61.317  7.3121  0.000000       7.312089 
1 1 1 -15 -34 39 f 33.147  8.5926  151.337    69.682   0.0000     0.0000   151.337    69.682   ?       ?       33.147  8.5926  0.000000       8.592648 
1 1 1 -15 -34 40 o 32.575  8.6558  146.485    69.582   0.0000     0.0000   146.485    69.582   ?       ?       32.575  8.6558  0.000000       8.655817 
1 1 1 -15 -34 41 o 36.698  5.8817  174.631    50.604   195.654    138.195  171.376    54.381   36.435  12.714  36.128  6.4397  0.3070602      14.25192 
1 1 1 -15 -34 42 o 7.8895  3.9287  -74.5529   29.860   -84.1578   50.761   -69.4707   36.924   11.588  5.6401  9.5907  4.6983  1.997402       7.340653 
1 1 1 -15 -34 43 o 84.039  4.0316  876.668    82.210   605.890    135.272  1035.25    103.521  66.924  8.5238  90.839  4.7129  -23.91482      9.739928 
1 1 1 -15 -34 44 o 32.712  5.8099  139.720    44.426   128.923    82.601   144.114    52.697   30.377  9.8257  32.833  6.8370  -2.455456      11.97032 
1 1 1 -15 -34 45 o 15.288  6.1889  15.381     35.653   -50.7876   73.063   36.062     40.846   16.358  7.6074  18.374  6.8437  -2.016417      10.23274 
1 1 1 -15 -34 46 o 56.639  6.1538  416.603    83.212   -89.3610   153.848  625.823    98.931   22.975  10.799  69.699  5.9054  -46.72383      12.30842 
1 1 1 -15 -34 47 o 77.423  5.8000  771.799    108.167  664.214    191.267  822.385    131.154  65.478  12.495  78.995  6.9121  -13.51652      14.27903 
1 1 1 -15 -34 48 f 44.262  6.7919  261.436    70.614   -27.8805   139.049  361.979    81.970   23.616  10.806  52.323  6.6036  -28.70707      12.66405 
1 1 1 -15 -34 49 o 20.917  6.8908  56.846     40.545   107.751    82.728   40.753     46.514   27.826  9.8276  19.303  7.2804  8.522989       12.23057 
1 1 1 -15 -34 50 o 41.583  5.2576  224.091    51.862   199.813    97.582   233.648    61.225   36.102  10.505  41.974  6.1980  -5.871769      12.19756 
1 1 1 -15 -34 51 o 40.477  5.2108  212.813    49.989   248.573    95.071   199.148    58.769   40.761  9.7446  38.442  6.5345  2.319572       11.73274 
1 1 1 -15 -34 52 o 67.188  4.3206  572.173    70.062   604.234    126.340  557.935    84.195   65.718  8.0942  65.617  5.3343  0.1010513      9.693851 
1 1 1 -15 -34 53 o 45.219  5.0203  265.123    54.153   362.884    105.401  230.062    63.121   49.765  9.0627  41.203  6.5315  8.562649       11.17108 
1 1 1 -15 -34 54 o 24.613  7.9615  85.786     54.231   91.965     111.326  83.864     62.097   26.662  10.883  24.480  8.5237  2.181648       13.82354 
1 1 1 -15 -34 55 o 26.919  8.0814  105.501    57.011   295.470    113.823  41.883     65.869   42.560  10.957  20.640  8.3918  21.92020       13.80130 
1 1 1 -15 -34 56 o 21.921  9.0171  48.701     77.169   424.012    217.210  -5.5136    82.555   42.828  15.815  19.022  8.5526  23.80589       17.97975 
1 1 1 -15 -34 57 o 21.616  8.9201  46.104     75.815   0.0000     0.0000   46.104     75.815   ?       ?       21.616  8.9201  0.000000       8.920098 
1 1 1 -15 -34 58 o 18.513  7.9433  16.913     63.972   81.258     130.500  -3.4408    73.395   26.444  11.346  18.204  8.1330  8.240210       13.95954 
1 1 1 -15 -34 59 o 33.340  7.6464  159.816    60.540   335.675    128.749  109.895    68.597   44.376  11.766  27.141  8.9640  17.23462       14.79163 
1 1 1 -15 -34 60 o 29.455  8.0570  127.239    59.247   194.167    125.132  107.899    67.264   33.333  12.051  26.948  8.8754  6.385145       14.96639 
1 1 1 -15 -34 61 o 23.204  11.483  -245.8875  239.917  -245.8875  239.917  0.0000     0.0000   23.204  11.483  ?       ?       0.000000       11.48269 
1 1 1 -15 -34 62 o 29.373  10.735  139.699    99.694   361.340    274.681  106.073    106.989  36.964  16.155  26.964  10.789  10.00009       19.42683 
1 1 1 -15 -34 63 o 27.043  10.443  112.887    97.193   117.997    277.166  112.170    103.783  29.981  14.213  27.067  10.692  2.914846       17.78554 
1 1 1 -15 -33 1  f 49.280  5.0614  309.412    59.661   358.607    104.534  285.645    72.657   50.854  8.7895  46.564  6.6169  4.289883       11.00176 
1 1 1 -15 -33 2  o 38.056  5.5632  187.198    49.854   65.192     81.064   261.411    63.224   24.508  9.5169  44.904  5.9492  -20.39648      11.22335 
1 1 1 -15 -33 3  o 57.080  4.5900  409.737    63.033   375.955    102.066  430.564    80.142   52.672  8.2576  57.939  5.7778  -5.266312      10.07818 
1 1 1 -15 -33 4  o 90.484  4.4388  1020.74    97.454   849.667    151.253  1142.17    127.431  79.977  7.8974  94.852  5.5612  -14.87497      9.659012 
1 1 1 -15 -33 5  o 34.004  5.9960  150.819    47.664   273.569    77.555   76.313     60.422   45.432  7.2811  24.506  8.4150  20.92658       11.12779 
1 1 1 -15 -33 6  o 17.677  6.3650  34.818     34.863   66.115     52.486   10.109     46.637   22.982  7.8439  16.486  6.9144  6.495861       10.45642 
1 1 1 -15 -33 7  o 17.213  6.2445  32.328     33.643   96.443     49.272   -23.6689   46.047   26.817  7.3526  13.804  6.2785  13.01281       9.668510 
1 1 1 -15 -33 8  o 46.455  5.4492  274.929    60.256   190.352    80.178   384.690    91.337   37.079  9.0020  54.223  7.1139  -17.14384      11.47364 
1 1 1 -15 -33 9  o 91.311  6.0048  1060.84    132.299  1068.12    230.945  1057.28    161.408  86.890  11.216  90.044  7.4547  -3.153763      13.46735 
1 1 1 -15 -33 10 o 61.766  6.3990  490.245    94.511   404.775    178.370  523.607    111.440  50.970  13.995  63.279  7.3977  -12.30874      15.83028 
1 1 1 -15 -33 11 o 48.768  6.8940  309.675    79.303   299.530    155.612  313.234    92.170   44.355  13.359  48.437  8.1305  -4.082348      15.63897 
1 1 1 -15 -33 12 o 111.438 5.9684  1572.62    160.796  1635.46    265.589  1536.26    202.031  109.503 10.110  108.630 7.7150  0.8728943      12.71747 
1 1 1 -15 -33 13 o 25.603  8.5341  83.777     62.122   131.613    128.009  69.041     71.049   32.322  12.100  24.578  9.0506  7.743080       15.11051 
1 1 1 -15 -33 14 o 24.291  6.2859  77.427     37.333   10.499     122.680  84.258     39.192   24.949  10.853  25.314  6.3823  -0.3651962     12.59014 
1 1 1 -15 -33 15 o 21.234  5.9778  58.414     32.104   14.028     60.207   76.048     37.949   18.781  7.8655  24.086  6.3887  -5.305210      10.13321 
1 1 1 -15 -33 16 o 34.149  4.7101  147.268    37.990   217.396    67.551   114.828    45.944   40.776  7.0846  29.570  6.5737  11.20632       9.664577 
1 1 1 -15 -33 17 o 42.536  4.2635  225.678    43.412   247.334    74.923   214.733    53.264   43.460  7.3682  41.120  5.4745  2.340012       9.179306 
1 1 1 -15 -33 18 o 21.548  6.1000  60.038     33.334   63.163     61.855   58.758     39.571   23.482  8.4752  21.554  6.7826  1.928026       10.85508 
1 1 1 -15 -33 19 o 83.425  3.8772  856.803    78.483   798.269    127.750  892.287    99.466   79.137  6.7164  84.654  4.8629  -5.516335      8.292039 
1 1 1 -15 -33 20 o 38.737  5.2147  189.884    47.769   146.501    86.736   208.772    57.230   32.877  9.9900  40.387  6.0244  -7.509308      11.66588 
1 1 1 -15 -33 21 o 23.871  6.9216  74.004     42.427   52.139     78.738   82.950     50.363   23.873  9.3491  25.261  7.5983  -1.388153      12.04737 
1 1 1 -15 -33 22 o 41.523  7.1070  224.379    69.030   217.497    117.038  228.050    85.481   39.338  11.522  41.195  8.8181  -1.856995      14.50909 
1 1 1 -15 -33 23 o 56.856  5.9949  409.406    81.456   388.895    142.328  419.396    99.333   52.664  11.464  56.967  7.3584  -4.302509      13.62195 
1 1 1 -15 -33 24 o 49.850  6.3869  317.451    75.478   298.652    130.786  326.839    92.421   45.912  11.705  49.967  7.8845  -4.054600      14.11264 
1 1 1 -15 -33 25 o 61.117  10.922  514.061    156.026  514.061    156.026  0.0000     0.0000   61.117  10.922  ?       ?       0.000000       10.92224 
1 1 1 -15 -33 26 o 30.724  11.578  109.292    117.563  109.292    117.563  0.0000     0.0000   30.724  11.578  ?       ?       0.000000       11.57760 
1 1 1 -15 -33 27 o 27.121  9.8170  86.725     83.079   86.725     83.079   0.0000     0.0000   27.121  9.8170  ?       ?       0.000000       9.816997 
1 1 1 -15 -33 28 o 35.773  5.9907  164.480    50.160   313.991    89.709   96.475     60.502   48.954  7.8152  27.159  8.3608  21.79511       11.44465 
1 1 1 -15 -33 29 o 77.506  3.8293  739.228    72.013   810.561    126.571  705.083    87.568   79.823  6.5939  75.241  4.8219  4.582176       8.168877 
1 1 1 -15 -33 30 o 29.320  5.5779  110.784    38.233   132.832    86.212   105.386    42.657   31.486  10.023  28.387  6.3517  3.098518       11.86603 
1 1 1 -15 -33 31 o 40.500  4.7141  206.017    45.459   329.799    97.044   171.221    51.453   49.892  8.3086  36.474  6.0242  13.41783       10.26270 
1 1 1 -15 -33 32 o 21.578  6.4925  59.763     36.767   133.077    83.406   42.081     40.961   31.411  9.8410  19.352  6.9066  12.05898       12.02275 
1 1 1 -15 -33 33 o 17.618  6.3799  33.544     35.093   23.823     88.513   35.358     38.226   22.634  9.5109  18.201  6.6481  4.432928       11.60413 
1 1 1 -15 -33 34 o 25.227  6.7848  83.850     42.435   150.815    88.330   63.758     48.384   33.119  10.085  22.627  7.5310  10.49219       12.58696 
1 1 1 -15 -33 35 o 23.287  6.8598  70.684     41.381   84.467     90.873   67.078     46.479   27.159  10.190  22.948  7.3651  4.211243       12.57276 
1 1 1 -15 -33 36 o 108.123 3.9813  1443.99    104.451  1634.86    171.348  1331.13    131.762  113.431 6.2497  102.991 5.2905  10.44037       8.188324 
1 1 1 -15 -33 37 o 34.995  6.4366  159.982    52.640   0.0000     0.0000   159.982    52.640   ?       ?       34.995  6.4366  0.000000       6.436614 
1 1 1 -15 -33 38 o 63.892  5.0673  513.342    77.912   0.0000     0.0000   513.342    77.912   ?       ?       63.892  5.0673  0.000000       5.067266 
1 1 1 -15 -33 39 o 72.478  7.2544  683.596    125.863  0.0000     0.0000   683.596    125.863  ?       ?       72.478  7.2544  0.000000       7.254368 
1 1 1 -15 -33 40 o 42.266  7.1111  235.378    70.338   254.995    142.749  229.088    80.832   41.121  12.873  41.086  8.3918  0.3497314E-01  15.36670 
1 1 1 -15 -33 41 o 13.037  5.9192  -20.7385   40.698   -15.5277   82.900   -22.3931   46.715   19.515  8.6865  14.012  6.3540  5.503072       10.76233 
1 1 1 -15 -33 42 f 14.220  5.7795  11.834     31.227   44.256     62.129   0.8756     36.121   21.431  8.3290  13.938  5.9742  7.493049       10.25008 
1 1 1 -15 -33 43 o 30.769  6.0277  124.019    43.393   98.845     80.229   134.428    51.589   27.622  9.6846  31.760  6.8925  -4.137255      11.88691 
1 1 1 -15 -33 44 o 54.373  4.3733  370.236    57.209   391.538    100.407  359.996    69.615   54.142  7.8738  53.147  5.4768  0.9946556      9.591259 
1 1 1 -15 -33 45 o 57.574  4.2662  414.598    59.173   474.557    104.746  386.493    71.713   59.942  7.3562  55.065  5.4384  4.876835       9.148194 
1 1 1 -15 -33 46 o 35.118  7.4280  166.786    61.317   59.805     122.700  202.396    70.791   26.902  11.244  38.575  7.8306  -11.67338      13.70235 
1 1 1 -15 -33 47 o 45.133  6.7603  269.088    71.755   450.888    136.875  200.189    84.262   55.860  10.484  37.511  9.3032  18.34855       14.01624 
1 1 1 -15 -33 48 o 57.137  6.0503  423.548    82.604   515.986    157.316  388.359    97.061   58.694  11.457  53.670  7.6717  5.024612       13.78859 
1 1 1 -15 -33 49 o 87.868  4.1573  964.779    88.636   867.486    151.309  1015.61    109.365  80.084  7.8892  89.404  5.0622  -9.320732      9.373671 
1 1 1 -15 -33 50 o 23.967  7.1109  77.978     44.333   111.900    85.811   65.627     51.779   28.309  10.008  22.549  7.7873  5.760260       12.68070 
1 1 1 -15 -33 51 o 30.085  6.3718  122.137    45.066   -11.2251   90.373   166.276    51.991   19.996  8.9727  35.263  6.3080  -15.26627      10.96818 
1 1 1 -15 -33 52 o 59.653  4.4203  451.173    63.526   552.943    117.013  408.643    75.644   63.400  7.7690  56.007  5.6432  7.393105       9.602276 
1 1 1 -15 -33 53 o 30.874  6.4461  129.754    46.731   105.020    95.681   137.503    53.552   27.490  10.424  31.433  7.1790  -3.942619      12.65697 
1 1 1 -15 -33 54 o 40.034  6.7410  218.584    63.155   226.899    123.981  215.670    73.390   36.583  12.050  38.888  8.0433  -2.305164      14.48757 
1 1 1 -15 -33 55 o 19.735  8.0011  36.092     59.682   121.585    210.675  28.633     62.231   30.705  13.744  19.355  8.0419  11.34962       15.92397 
1 1 1 -15 -33 56 o 28.486  8.1020  118.307    58.663   -32.6016   127.234  159.047    66.109   21.686  10.070  32.946  8.2796  -11.25951      13.03683 
1 1 1 -15 -33 57 o 20.352  8.5373  32.401     71.113   79.680     142.591  16.748     82.045   26.996  11.721  20.271  8.8452  6.724312       14.68429 
1 1 1 -15 -33 58 o 21.929  8.7452  53.940     70.050   209.266    149.514  10.254     79.292   33.952  12.993  19.637  8.6287  14.31472       15.59718 
1 1 1 -15 -33 59 f 22.500  8.0552  67.702     55.760   213.081    126.512  32.652     62.119   34.883  12.165  19.597  8.0791  15.28598       14.60362 
1 1 1 -15 -33 60 f 18.490  7.6466  26.271     55.887   166.379    129.970  -5.5120    61.903   31.589  12.108  16.859  7.5053  14.72928       14.24543 
1 1 1 -15 -33 61 o 19.767  8.8965  -4.9286    89.603   -23.3249   282.265  -2.8671    94.490   28.578  13.760  20.296  9.1352  8.281933       16.51608 
1 1 1 -15 -33 62 o 40.734  11.236  277.818    114.664  272.550    286.102  278.826    125.156  34.839  15.768  39.918  11.971  -5.078739      19.79798 
1 1 1 -15 -33 63 o 23.911  9.9877  64.358     96.717   733.918    276.699  -28.8318   103.228  52.327  18.006  19.692  9.1182  32.63421       20.18279 
1 1 1 -15 -33 64 o 44.231  10.438  321.037    110.220  401.543    350.459  312.200    116.112  35.347  16.513  42.750  11.097  -7.402870      19.89506 
1 1 1 -15 -32 1  o 16.691  6.5201  24.143     38.221   28.632     68.597   22.122     46.028   20.657  8.4999  17.497  7.0500  3.160378       11.04314 
1 1 1 -15 -32 2  o 48.038  6.1361  298.198    69.888   0.0000     0.0000   298.198    69.888   ?       ?       48.038  6.1361  0.000000       6.136051 
1 1 1 -15 -32 3  o 19.815  6.8109  47.387     39.586   57.550     67.088   41.958     49.031   23.058  8.7322  19.963  7.4857  3.095646       11.50166 
1 1 1 -15 -32 4  o 69.344  4.2903  599.171    71.832   668.330    114.268  553.985    92.364   71.988  6.6159  65.935  5.8334  6.052269       8.820374 
1 1 1 -15 -32 5  o 80.808  4.0398  808.317    79.210   899.898    118.966  735.385    106.164  84.165  5.8620  76.088  5.7939  8.076447       8.242154 
1 1 1 -15 -32 6  o 48.917  4.4142  299.431    51.829   321.931    79.258   282.621    68.507   49.780  6.7347  46.841  6.1783  2.938900       9.139376 
1 1 1 -15 -32 7  o 36.314  5.3307  168.514    45.572   156.699    68.810   177.746    60.824   33.912  8.4050  36.661  7.0940  -2.749660      10.99854 
1 1 1 -15 -32 8  o 30.759  5.9255  123.044    42.620   71.246     63.163   166.342    57.749   24.272  8.5857  35.516  6.9501  -11.24328      11.04617 
1 1 1 -15 -32 9  o 21.830  6.6782  61.291     38.669   18.772     56.521   98.707     53.020   18.668  7.7025  27.217  7.6891  -8.548761      10.88353 
1 1 1 -15 -32 10 o 48.584  5.1397  297.600    59.669   325.594    78.917   260.236    91.174   50.240  6.6362  43.826  8.8781  6.413616       11.08421 
1 1 1 -15 -32 11 o 79.240  5.8538  793.189    111.753  799.709    195.732  790.036    136.121  76.053  10.920  78.270  7.2498  -2.216980      13.10744 
1 1 1 -15 -32 12 o 36.166  7.8288  174.255    66.708   16.379     131.621  228.825    77.383   26.086  11.294  41.515  7.9718  -15.42926      13.82390 
1 1 1 -15 -32 13 o 25.484  8.4323  82.179     60.689   70.527     123.178  85.914     69.742   28.430  11.506  26.297  9.0402  2.133120       14.63231 
1 1 1 -15 -32 14 o 66.062  5.9800  551.619    94.817   619.808    168.665  520.112    114.648  67.322  10.682  63.361  7.6095  3.961163       13.11518 
1 1 1 -15 -32 15 o 33.589  8.3763  151.174    68.034   158.493    130.802  148.460    79.657   34.775  12.349  33.127  9.4478  1.648041       15.54886 
1 1 1 -15 -32 16 o 70.591  3.6849  613.586    62.896   642.828    103.580  596.507    79.161   71.392  6.0360  69.266  4.7385  2.126297       7.673758 
1 1 1 -15 -32 17 o 43.274  4.2335  232.871    43.882   309.469    75.116   193.186    54.067   49.241  6.4414  38.909  5.9131  10.33229       8.743933 
1 1 1 -15 -32 18 o 83.800  3.6704  861.881    74.630   797.850    119.010  903.380    95.809   79.560  6.2142  85.381  4.6422  -5.820457      7.756670 
1 1 1 -15 -32 19 o 13.842  5.6275  10.233     29.618   19.619     55.075   6.4135     35.131   18.713  7.6483  14.424  6.0217  4.289449       9.734309 
1 1 1 -15 -32 20 o 93.255  3.8557  1068.17    87.246   1053.12    139.070  1077.93    112.035  91.468  6.3046  93.179  4.9733  -1.710289      8.030084 
1 1 1 -15 -32 21 o 134.375 4.1298  2221.46    134.653  2184.31    206.467  2248.96    177.628  131.936 6.4494  134.519 5.4421  -2.582489      8.438673 
1 1 1 -15 -32 22 o 95.891  3.8770  1129.28    90.206   1065.55    144.656  1169.82    115.390  91.922  6.5281  97.125  4.9123  -5.203392      8.169901 
1 1 1 -15 -32 23 o 88.909  5.4153  985.265    116.268  914.991    187.675  1029.04    148.116  83.461  9.4330  90.178  6.8196  -6.717400      11.63994 
1 1 1 -15 -32 24 o 84.896  9.1656  942.519    185.810  942.519    185.810  0.0000     0.0000   84.896  9.1656  ?       ?       0.000000       9.165649 
1 1 1 -15 -32 25 o 94.410  9.1144  1163.02    206.194  1163.02    206.194  0.0000     0.0000   94.410  9.1144  ?       ?       0.000000       9.114408 
1 1 1 -15 -32 26 o 129.196 9.2931  2177.60    289.377  2177.60    289.377  0.0000     0.0000   129.196 9.2931  ?       ?       0.000000       9.293095 
1 1 1 -15 -32 27 f 92.229  5.5463  1061.89    123.541  1072.96    201.991  1055.26    156.152  90.442  9.3389  91.119  7.1193  -0.6769485     11.74303 
1 1 1 -15 -32 28 o 10.791  4.8734  -13.8304   27.157   -32.9432   78.889   -11.2610   28.925   18.398  8.3078  11.434  5.1071  6.964488       9.752058 
1 1 1 -15 -32 29 o 80.252  3.7997  791.053    73.990   802.101    126.969  785.371    91.046   79.572  6.6367  79.560  4.7377  0.1158142E-01  8.154292 
1 1 1 -15 -32 30 f 46.212  4.4150  265.793    48.904   312.459    99.361   250.875    56.179   48.531  8.7603  44.640  5.2896  3.890762       10.23340 
1 1 1 -15 -32 31 o 67.580  3.9137  563.525    63.901   661.131    113.858  518.643    77.208   72.165  6.5745  64.490  4.9724  7.675232       8.243097 
1 1 1 -15 -32 32 o 25.500  6.1302  84.753     37.462   17.636     86.141   100.407    41.602   22.132  9.3458  27.739  6.3217  -5.606937      11.28306 
1 1 1 -15 -32 33 o 63.268  4.0813  495.270    62.319   514.465    113.924  487.074    74.445   63.029  7.6027  62.454  4.9532  0.5748405      9.073915 
1 1 1 -15 -32 34 o 22.653  6.4810  66.510     37.423   -4.2335    84.591   83.725     41.729   20.574  8.9793  25.267  6.6980  -4.693502      11.20225 
1 1 1 -15 -32 35 o 34.471  5.5000  151.891    44.456   146.573    92.176   153.503    50.749   32.847  10.354  34.401  6.3126  -1.553978      12.12655 
1 1 1 -15 -32 36 o 84.668  5.0010  895.281    102.285  0.0000     0.0000   895.281    102.285  ?       ?       84.668  5.0010  0.000000       5.001040 
1 1 1 -15 -32 37 o 49.961  5.4070  315.632    64.502   0.0000     0.0000   315.632    64.502   ?       ?       49.961  5.4070  0.000000       5.407015 
1 1 1 -15 -32 38 o 14.694  6.2845  1.4167     39.816   0.0000     0.0000   1.4167     39.816   ?       ?       14.694  6.2845  0.000000       6.284499 
1 1 1 -15 -32 39 o 24.601  8.2934  76.275     58.667   286.240    129.537  22.094     65.803   44.337  11.824  20.043  8.2937  24.29411       14.44272 
1 1 1 -15 -32 40 o 33.176  7.4326  147.059    58.348   184.948    96.541   125.254    73.237   36.215  10.424  30.350  9.1703  5.865086       13.88346 
1 1 1 -15 -32 41 o 49.395  6.2870  314.140    73.644   419.906    121.864  253.296    92.430   55.448  9.3933  42.940  9.1512  12.50794       13.11403 
1 1 1 -15 -32 42 o 74.544  5.6121  703.441    100.763  751.317    158.605  671.039    130.479  74.788  8.9159  71.561  7.6323  3.227592       11.73646 
1 1 1 -15 -32 43 f 65.677  4.0640  535.977    64.445   475.562    108.244  569.151    80.211   60.121  7.5892  67.311  4.9458  -7.189682      9.058520 
1 1 1 -15 -32 44 o 11.162  5.1851  -27.6743   33.785   -98.0549   69.560   -5.9453    38.651   14.061  6.7848  13.794  6.0436  0.2669296      9.086165 
1 1 1 -15 -32 45 o 37.336  5.5019  179.145    48.349   195.696    90.208   172.473    57.269   37.162  9.8465  36.124  6.7827  1.037594       11.95654 
1 1 1 -15 -32 46 o 17.598  6.5706  32.041     37.696   -1.8053    75.654   43.219     43.477   19.377  8.4735  19.565  7.0987  -0.1876640     11.05399 
1 1 1 -15 -32 47 o 19.970  7.6430  40.284     51.739   237.873    112.023  -13.2930   58.333   40.082  11.125  16.379  7.2889  23.70343       13.30025 
1 1 1 -15 -32 48 o 84.311  5.7337  908.940    116.598  881.187    207.057  921.828    141.096  77.651  11.323  83.878  6.9966  -6.227142      13.30992 
1 1 1 -15 -32 49 o 33.280  6.0861  146.055    47.335   109.006    93.278   158.906    54.934   28.566  10.393  34.428  6.8173  -5.861919      12.42905 
1 1 1 -15 -32 50 o 35.611  5.9609  166.749    49.686   339.002    96.982   105.447    57.856   49.527  8.3684  27.574  8.1080  21.95291       11.65198 
1 1 1 -15 -32 51 o 39.105  5.5430  199.012    51.122   312.677    101.552  160.429    59.166   46.710  9.2873  34.193  7.3500  12.51614       11.84381 
1 1 1 -15 -32 52 o 45.300  5.0701  263.972    54.773   283.842    107.478  257.001    63.660   43.426  10.347  44.145  6.1068  -0.7187042     12.01491 
1 1 1 -15 -32 53 o 21.501  7.1062  60.997     43.107   92.788     93.529   52.423     48.574   26.667  10.259  20.707  7.5047  5.960123       12.71123 
1 1 1 -15 -32 54 o 48.745  5.8947  313.170    68.303   543.533    133.438  231.385    79.508   61.190  9.2785  40.189  8.4230  21.00127       12.53144 
1 1 1 -15 -32 55 o 27.039  8.5768  105.568    63.172   185.544    235.801  99.384     65.569   33.609  14.820  26.343  8.7671  7.265844       17.21881 
1 1 1 -15 -32 56 o 36.088  7.3315  182.392    62.008   174.671    132.345  184.563    70.188   32.407  12.267  35.682  8.2685  -3.275066      14.79318 
1 1 1 -15 -32 57 o 36.098  9.4044  198.205    83.196   111.119    159.249  230.895    97.570   29.131  12.517  38.275  10.286  -9.144110      16.20066 
1 1 1 -15 -32 58 o 29.333  9.3885  130.164    75.565   136.924    154.739  128.047    86.592   30.209  12.627  28.967  10.067  1.241812       16.14866 
1 1 1 -15 -32 59 o 23.257  8.0727  73.948     55.677   -74.1237   127.122  109.094    61.934   20.374  9.6492  27.329  8.4668  -6.954884      12.83717 
1 1 1 -15 -32 60 o 24.119  8.5054  80.125     61.943   202.730    139.057  49.775     69.186   34.096  12.642  21.638  8.6698  12.45855       15.32890 
1 1 1 -15 -32 61 o 24.608  8.3320  85.228     59.216   17.004     136.784  100.964    65.691   24.237  10.943  26.382  8.7750  -2.144514      14.02637 
1 1 1 -15 -32 62 o 27.843  10.451  115.413    95.625   40.525     284.392  124.959    101.537  29.927  14.248  28.640  10.766  1.287165       17.85816 
1 1 1 -15 -32 63 o 22.287  9.4524  43.175     88.738   -61.9281   323.094  51.750     92.287   28.632  13.999  23.045  9.6992  5.586483       17.03077 
1 1 1 -15 -32 64 o 57.811  10.290  529.485    139.058  0.0000     0.0000   529.485    139.058  ?       ?       57.811  10.290  0.000000       10.29045 
1 1 1 -15 -31 1  o 53.846  4.5891  363.579    59.387   392.435    95.051   345.102    76.059   54.637  7.3567  51.780  6.1756  2.856766       9.605165 
1 1 1 -15 -31 2  o 33.140  6.9737  145.796    54.301   137.616    169.930  146.726    57.305   33.892  13.585  33.124  7.3245  0.7680168      15.43341 
1 1 1 -15 -31 3  o 18.090  6.6389  34.967     38.184   93.489     64.715   3.7132     47.293   26.701  8.7014  16.080  6.8626  10.62088       11.08191 
1 1 1 -15 -31 4  o 36.630  5.2977  171.236    45.717   192.256    68.707   154.535    61.243   37.916  7.7303  33.953  7.6208  3.963036       10.85519 
1 1 1 -15 -31 5  o 16.675  6.1651  28.622     33.026   31.470     50.489   26.492     43.663   19.099  7.4845  17.759  6.9599  1.339991       10.22049 
1 1 1 -15 -31 6  o 21.435  6.2941  59.403     34.886   -5.1814    53.392   107.518    46.084   16.352  7.1352  28.515  6.7629  -12.16377      9.830988 
1 1 1 -15 -31 7  o 16.520  6.1594  27.240     33.103   42.985     48.509   13.517     45.285   20.155  7.4677  16.698  6.8925  3.456947       10.16235 
1 1 1 -15 -31 8  f 51.291  5.0512  330.519    62.048   302.982    82.609   366.163    93.985   48.211  7.2895  52.970  7.5240  -4.759167      10.47603 
1 1 1 -15 -31 9  o 103.531 3.7291  1318.49    93.677   1498.46    149.718  1202.71    120.088  109.260 5.6669  98.197  5.0573  11.06350       7.595356 
1 1 1 -15 -31 10 o 14.677  5.5117  20.468     26.600   -6.7915    50.749   30.794     31.235   15.886  6.9435  16.825  6.0283  -0.9389849     9.195217 
1 1 1 -15 -31 11 o 62.041  3.7130  474.550    55.637   399.743    92.110   517.521    69.812   55.795  6.9548  64.567  4.4839  -8.772621      8.274897 
1 1 1 -15 -31 12 o 36.336  5.9037  168.961    50.264   136.759    66.165   212.906    77.293   31.998  8.4111  40.065  8.2263  -8.066477      11.76520 
1 1 1 -15 -31 13 o 38.397  7.6030  193.448    68.329   349.634    132.604  136.986    79.729   50.254  11.165  32.025  9.5439  18.22903       14.68814 
1 1 1 -15 -31 14 o 96.575  5.7338  1166.07    133.759  1151.89    218.818  1174.53    169.012  93.406  9.8009  96.050  7.3067  -2.644531      12.22483 
1 1 1 -15 -31 15 f 33.015  8.0276  144.259    63.685   86.009     120.663  166.751    74.979   29.601  11.579  35.333  8.7835  -5.732117      14.53324 
1 1 1 -15 -31 16 o 76.711  5.7178  735.775    105.662  728.220    175.590  740.063    132.296  74.129  10.019  76.266  7.2357  -2.137321      12.35855 
1 1 1 -15 -31 17 f 132.696 3.9854  2161.90    128.321  2219.54    196.196  2118.82    169.635  133.417 6.0606  130.747 5.3471  2.670013       8.082207 
1 1 1 -15 -31 18 o 88.097  3.6760  950.988    78.579   915.097    124.352  974.846    101.387  85.512  6.0319  88.792  4.7229  -3.279465      7.660930 
1 1 1 -15 -31 19 o 50.359  4.0146  313.157    48.647   255.880    81.440   344.931    60.657   44.369  7.8520  52.677  4.7983  -8.307575      9.202061 
1 1 1 -15 -31 20 o 47.302  4.0881  276.646    46.460   293.173    77.984   267.553    57.846   47.911  6.9079  46.230  5.2499  1.680386       8.676427 
1 1 1 -15 -31 21 o 99.881  3.8984  1223.26    94.478   1189.22    149.029  1246.14    122.164  97.450  6.3371  100.464 5.0115  -3.013779      8.079277 
1 1 1 -15 -31 22 o 53.922  4.4427  359.927    57.609   417.136    96.225   327.966    71.923   57.256  7.0769  51.057  5.9152  6.199509       9.223484 
1 1 1 -15 -31 23 o 130.238 6.3657  2115.99    201.164  2115.99    201.164  0.0000     0.0000   130.238 6.3657  ?       ?       0.000000       6.365710 
1 1 1 -15 -31 24 o 49.342  11.553  333.915    135.878  333.915    135.878  0.0000     0.0000   49.342  11.553  ?       ?       0.000000       11.55286 
1 1 1 -15 -31 25 o 88.922  9.4807  1029.00    201.403  1029.00    201.403  0.0000     0.0000   88.922  9.4807  ?       ?       0.000000       9.480686 
1 1 1 -15 -31 26 o 28.650  8.7078  106.229    65.894   180.190    120.584  74.741     78.681   36.776  11.869  26.064  9.5353  10.71222       15.22502 
1 1 1 -15 -31 27 f 48.242  5.9752  293.647    68.446   250.519    139.985  307.197    78.465   42.480  12.643  49.102  6.7655  -6.621967      14.33941 
1 1 1 -15 -31 28 o 91.321  3.8053  1022.55    84.319   1214.55    141.829  917.597    104.864  98.610  5.9556  86.025  5.0459  12.58463       7.805751 
1 1 1 -15 -31 29 o 134.334 4.0559  2216.43    132.203  2570.24    206.691  1971.47    171.983  143.662 5.9295  125.982 5.6262  17.67950       8.173899 
1 1 1 -15 -31 30 o 75.041  3.8597  692.815    70.039   831.344    123.025  626.385    85.193   81.326  6.2832  71.013  4.9757  10.31288       8.014729 
1 1 1 -15 -31 31 o 23.526  6.5128  71.562     38.444   67.053     81.584   72.849     43.587   25.505  9.6366  23.817  7.0472  1.687860       11.93843 
1 1 1 -15 -31 32 o 101.998 3.9108  1278.07    96.789   1402.38    157.243  1202.24    122.812  105.715 6.1568  98.346  5.1647  7.368210       8.036177 
1 1 1 -15 -31 33 o 40.064  4.8769  201.406    46.431   129.252    92.604   225.636    53.664   31.506  10.416  42.304  5.3475  -10.79765      11.70818 
1 1 1 -15 -31 34 o 35.577  5.3382  160.615    44.660   119.858    91.564   173.337    51.158   30.569  10.361  36.811  5.9289  -6.242392      11.93716 
1 1 1 -15 -31 35 o 63.040  4.9966  496.024    75.802   0.0000     0.0000   496.024    75.802   ?       ?       63.040  4.9966  0.000000       4.996571 
1 1 1 -15 -31 36 o 29.304  7.2193  113.443    50.997   0.0000     0.0000   113.443    50.997   ?       ?       29.304  7.2193  0.000000       7.219330 
1 1 1 -15 -31 37 o 104.400 5.0878  1356.17    128.883  0.0000     0.0000   1356.17    128.883  ?       ?       104.400 5.0878  0.000000       5.087802 
1 1 1 -15 -31 38 o 51.733  4.6678  334.440    57.962   232.903    144.936  353.771    63.240   40.137  13.019  53.119  4.9640  -12.98298      13.93309 
1 1 1 -15 -31 39 o 9.0766  4.3536  -38.6446   27.631   -131.4350  53.503   -4.8955    32.267   10.574  5.2643  12.704  5.5451  -2.130317      7.645946 
1 1 1 -15 -31 40 o 27.226  7.8658  98.543     54.881   137.881    95.443   79.111     67.080   31.953  10.575  25.365  8.8576  6.587896       13.79420 
1 1 1 -15 -31 41 o 32.392  7.4805  140.117    57.607   105.795    95.824   159.540    72.087   29.136  10.544  34.211  8.6725  -5.075153      13.65211 
1 1 1 -15 -31 42 o 24.355  7.6286  77.038     50.123   -27.9487   89.132   125.591    60.614   19.688  8.8659  30.500  8.0666  -10.81254      11.98644 
1 1 1 -15 -31 43 o 19.035  6.4496  43.621     35.483   135.672    66.276   6.6356     42.010   31.571  8.4742  15.518  6.5382  16.05368       10.70332 
1 1 1 -15 -31 44 o 41.171  5.1328  215.084    50.161   283.184    89.944   184.343    60.431   45.850  8.3941  37.416  6.9110  8.433926       10.87305 
1 1 1 -15 -31 45 o 46.720  4.7077  274.603    52.640   352.334    97.999   243.080    62.408   51.345  8.1374  43.410  6.0928  7.935402       10.16560 
1 1 1 -15 -31 46 o 28.888  6.4477  110.431    44.050   122.011    87.449   106.493    50.991   30.040  10.125  28.141  7.3776  1.898512       12.52808 
1 1 1 -15 -31 47 o 29.064  7.9432  114.938    57.614   25.093     119.664  142.051    65.735   25.058  10.809  32.148  8.3516  -7.089630      13.65950 
1 1 1 -15 -31 48 o 56.731  6.1384  415.234    83.149   257.321    157.315  476.453    97.950   40.438  13.581  60.415  6.8000  -19.97717      15.18821 
1 1 1 -15 -31 49 o 30.720  8.0094  129.979    60.316   101.896    125.662  138.386    68.754   29.487  11.728  31.475  8.7083  -1.988012      14.60726 
1 1 1 -15 -31 50 o 76.079  4.1842  723.829    76.942   943.703    136.401  621.214    93.183   85.023  6.6651  69.669  5.5586  15.35468       8.678807 
1 1 1 -15 -31 51 o 73.980  4.2852  686.786    76.593   784.440    135.500  640.933    92.850   76.688  7.3728  70.740  5.4515  5.948158       9.169333 
1 1 1 -15 -31 52 f 36.679  5.9164  177.008    50.863   180.588    100.943  175.790    58.885   34.516  10.828  36.026  6.9885  -1.510456      12.88765 
1 1 1 -15 -31 53 o 13.513  6.0080  -9.3491    39.545   -146.0168  81.953   32.130     45.149   14.023  6.8958  18.204  7.0931  -4.181034      9.892646 
1 1 1 -15 -31 54 o 76.422  4.3277  737.557    79.919   863.862    144.597  682.002    95.898   79.636  7.5744  72.624  5.4825  7.011948       9.350378 
1 1 1 -15 -31 55 f 49.437  6.0168  322.998    70.685   513.762    137.452  254.411    82.418   58.730  10.004  42.268  8.3323  16.46191       13.01962 
1 1 1 -15 -31 56 o 20.792  7.9014  50.301     55.051   113.408    123.325  34.598     61.520   28.663  11.543  19.870  8.0979  8.793371       14.10038 
1 1 1 -15 -31 57 o 12.138  5.8737  -74.6302   53.035   -153.9203  117.224  -54.2234   59.469   17.416  8.4971  13.989  6.6177  3.426400       10.77009 
1 1 1 -15 -31 58 o 23.549  8.9684  70.311     71.019   144.377    149.146  48.594     80.762   30.727  12.575  22.390  9.2191  8.336277       15.59278 
1 1 1 -15 -31 59 o 28.752  8.1951  119.916    59.953   100.109    152.783  123.521    65.181   28.625  12.278  28.995  8.6267  -0.3697968     15.00601 
1 1 1 -15 -31 60 o 13.973  6.3740  -21.2957   47.902   -146.4556  113.039  6.0995     52.885   17.210  8.3854  16.607  7.1744  0.6035938      11.03572 
1 1 1 -15 -31 61 o 19.331  7.6915  36.601     54.074   20.697     127.206  40.109     59.740   23.963  10.706  20.145  8.0617  3.817961       13.40220 
1 1 1 -15 -31 62 o 15.600  7.4916  -89.1569   82.387   140.673    311.039  -106.4982  85.438   32.795  15.396  15.393  7.4504  17.40230       17.10402 
1 1 1 -15 -31 63 o 20.430  9.0210  10.785     87.665   59.221     324.436  6.9697     91.052   30.974  14.873  20.514  9.1190  10.45970       17.44580 
1 1 1 -15 -31 64 o 24.226  9.8771  71.361     91.567   76.403     365.116  71.023     94.590   31.097  15.134  24.338  9.9940  6.759281       18.13571 
1 1 1 -15 -30 1  o 60.801  4.3283  460.440    63.437   472.933    100.987  452.298    81.531   60.387  7.0233  59.698  5.6978  0.6896782      9.043854 
1 1 1 -15 -30 2  o 76.302  4.2189  722.706    77.806   743.525    123.249  708.912    100.324  76.085  6.7460  74.950  5.5561  1.134743       8.739552 
1 1 1 -15 -30 3  o 57.604  4.2283  412.618    58.686   399.332    88.911   422.874    78.120   55.653  6.7203  57.780  5.6442  -2.127209      8.776061 
1 1 1 -15 -30 4  o 30.497  6.9912  123.063    50.628   142.432    61.348   81.703     89.648   32.594  7.8505  26.915  10.116  5.678867       12.80508 
1 1 1 -15 -30 5  o 19.674  6.8906  44.817     40.609   56.653     48.735   17.929     73.451   21.798  7.5534  20.676  8.6749  1.122372       11.50256 
1 1 1 -15 -30 6  o 32.774  6.1386  139.124    47.022   157.804    63.458   116.378    70.025   34.424  7.7803  29.554  8.9753  4.870436       11.87804 
1 1 1 -15 -30 7  o 72.043  3.5959  637.464    62.858   770.114    104.781  562.887    78.566   78.350  5.5475  67.201  4.8509  11.14922       7.369273 
1 1 1 -15 -30 8  o 75.817  3.6158  705.709    66.517   747.569    109.440  681.185    83.765   77.079  5.8964  74.053  4.6860  3.026016       7.531635 
1 1 1 -15 -30 9  o 108.739 3.7775  1452.40    99.667   1497.06    157.884  1422.81    128.510  109.244 5.9790  107.158 4.9425  2.086075       7.757397 
1 1 1 -15 -30 10 o 54.668  3.7512  368.492    49.457   452.306    84.195   324.336    61.111   59.944  5.8637  50.945  5.0085  8.999191       7.711580 
1 1 1 -15 -30 11 o 62.531  3.6966  481.171    55.838   523.385    93.189   457.525    69.745   64.497  6.0245  60.683  4.7754  3.814865       7.687560 
1 1 1 -15 -30 12 o 124.486 3.9313  1902.31    118.747  1828.78    183.706  1955.08    155.632  120.813 6.2885  125.699 5.1027  -4.885925      8.098350 
1 1 1 -15 -30 13 o 38.217  4.4251  182.028    40.275   140.756    69.530   202.869    49.409   32.595  8.6486  40.185  5.1885  -7.590153      10.08554 
1 1 1 -15 -30 14 o 50.204  6.4282  319.308    76.507   226.585    139.300  359.360    91.552   40.665  12.714  52.994  7.3150  -12.32868      14.66838 
1 1 1 -15 -30 15 o 55.935  6.1717  393.721    82.368   363.151    145.346  408.183    99.971   51.406  11.889  56.508  7.4747  -5.101768      14.04384 
1 1 1 -15 -30 16 o 42.090  7.1244  227.585    70.163   136.346    125.514  269.053    84.618   33.652  12.081  45.573  7.9410  -11.92096      14.45753 
1 1 1 -15 -30 17 o 73.870  5.7100  679.599    101.550  595.266    167.353  728.749    127.760  67.010  10.649  76.027  7.0045  -9.016693      12.74608 
1 1 1 -15 -30 18 o 111.964 4.3253  1538.63    117.506  1595.50    239.518  1520.61    134.849  111.635 8.9168  111.089 5.0028  0.5464172      10.22437 
1 1 1 -15 -30 19 o 50.602  4.0534  315.724    49.350   348.286    82.221   297.388    61.700   52.505  6.5996  48.821  5.2933  3.683949       8.460104 
1 1 1 -15 -30 20 o 102.042 3.7441  1273.96    92.701   1343.10    144.485  1225.59    120.856  104.035 5.7460  99.634  5.0152  4.400841       7.626841 
1 1 1 -15 -30 21 o 138.481 4.0717  2349.63    136.813  2385.04    207.943  2322.60    181.673  138.635 6.1817  137.146 5.4594  1.489273       8.247305 
1 1 1 -15 -30 22 o 239.400 8.2618  7235.59    479.916  7235.59    479.916  0.0000     0.0000   239.400 8.2618  ?       ?       0.000000       8.261834 
1 1 1 -15 -30 23 o 239.736 8.2886  7257.68    482.145  7257.68    482.145  0.0000     0.0000   239.736 8.2886  ?       ?       0.000000       8.288577 
1 1 1 -15 -30 24 o 141.753 6.4572  2498.55    222.096  2498.55    222.096  0.0000     0.0000   141.753 6.4572  ?       ?       0.000000       6.457208 
1 1 1 -15 -30 25 f 103.258 5.5062  1320.73    137.458  1300.95    217.859  1333.82    177.177  100.775 9.0045  103.061 7.1290  -2.285950      11.48488 
1 1 1 -15 -30 26 f 55.740  5.6995  388.158    75.999   456.652    147.915  363.590    88.587   58.540  10.812  53.541  6.9854  4.999382       12.87201 
1 1 1 -15 -30 27 o 112.981 5.4442  1577.22    149.247  1702.19    240.878  1499.36    190.142  115.503 8.6578  109.195 7.2172  6.307953       11.27146 
1 1 1 -15 -30 28 o 54.092  5.8535  366.668    75.602   419.478    151.025  349.009    87.332   55.625  11.567  52.387  7.0494  3.238506       13.54559 
1 1 1 -15 -30 29 o 39.804  4.9092  198.050    46.408   225.072    91.500   188.691    53.848   41.155  9.3726  38.576  5.9439  2.579639       11.09846 
1 1 1 -15 -30 30 o 55.985  4.2515  387.037    57.321   502.667    107.117  340.638    67.854   62.930  7.1416  52.203  5.4367  10.72676       8.975554 
1 1 1 -15 -30 31 o 41.713  4.7657  217.098    47.369   168.547    90.975   235.156    55.484   35.495  10.088  43.271  5.4022  -7.775917      11.44300 
1 1 1 -15 -30 32 o 40.520  4.9378  205.555    47.544   189.267    91.953   211.497    55.544   37.492  9.9448  40.891  5.7577  -3.398922      11.49130 
1 1 1 -15 -30 33 o 129.148 4.1007  2049.40    128.503  2275.58    203.874  1900.32    165.522  134.982 6.2247  123.734 5.5132  11.24896       8.315195 
1 1 1 -15 -30 34 o 55.826  5.2200  389.384    69.887   0.0000     0.0000   389.384    69.887   ?       ?       55.826  5.2200  0.000000       5.219975 
1 1 1 -15 -30 35 o 53.627  5.3575  360.453    68.779   0.0000     0.0000   360.453    68.779   ?       ?       53.627  5.3575  0.000000       5.357488 
1 1 1 -15 -30 36 o 108.650 5.0866  1464.19    134.097  0.0000     0.0000   1464.19    134.097  ?       ?       108.650 5.0866  0.000000       5.086606 
1 1 1 -15 -30 37 o 70.606  4.0273  615.569    68.710   627.730    124.173  610.202    82.489   69.873  7.4385  70.010  4.8866  -0.1371155     8.900026 
1 1 1 -15 -30 38 o 64.814  4.2165  520.257    65.950   587.801    134.585  498.913    75.657   66.956  8.4737  63.213  4.9728  3.743515       9.825062 
1 1 1 -15 -30 39 o 21.960  6.2186  62.403     34.637   123.118    63.899   37.140     41.218   30.324  8.3972  18.777  6.8967  11.54655       10.86635 
1 1 1 -15 -30 40 o 11.589  5.3231  -23.4452   34.188   -70.5737   54.990   6.2481     43.649   12.944  6.1909  15.798  6.6608  -2.853799      9.093630 
1 1 1 -15 -30 41 o 22.454  7.7120  61.071     50.749   3.3454     85.606   92.351     63.016   21.069  9.1151  26.663  8.5777  -5.593546      12.51649 
1 1 1 -15 -30 42 o 53.138  5.9176  359.414    75.002   386.295    122.633  343.350    94.798   53.057  9.8897  51.014  7.9150  2.042255       12.66699 
1 1 1 -15 -30 43 f 67.124  4.3076  560.053    69.787   370.349    144.772  617.478    79.652   50.526  11.989  70.339  4.6940  -19.81281      12.87526 
1 1 1 -15 -30 44 o 61.730  4.2516  473.906    63.294   653.785    110.800  386.774    77.115   71.482  6.4579  55.124  5.8551  16.35784       8.717018 
1 1 1 -15 -30 45 o 103.629 4.0218  1327.57    101.128  1453.12    165.801  1253.19    127.613  106.718 6.4331  99.887  5.2841  6.830956       8.325045 
1 1 1 -15 -30 46 o 129.727 5.4136  2114.36    170.405  1461.06    332.378  2347.31    198.474  97.764  14.447  136.146 6.0081  -38.38176      15.64626 
1 1 1 -15 -30 47 o 31.234  6.2172  127.953    45.460   151.227    90.027   119.987    52.669   32.873  10.212  29.892  7.3199  2.980478       12.56445 
1 1 1 -15 -30 48 o 42.342  7.1877  237.467    71.206   226.431    136.848  241.564    83.382   38.784  12.654  42.076  8.4606  -3.291729      15.22185 
1 1 1 -15 -30 49 o 43.322  6.9386  247.807    70.474   303.605    140.518  229.056    81.460   44.478  12.501  40.830  8.4989  3.648335       15.11633 
1 1 1 -15 -30 50 o 90.925  4.1740  1029.17    92.088   1052.40    155.757  1016.69    114.182  89.470  7.2367  89.558  5.2778  -0.8760834E-01 8.956830 
1 1 1 -15 -30 51 o 54.236  4.6530  371.612    60.640   416.700    114.023  353.830    71.607   54.816  8.8763  52.388  5.7265  2.427124       10.56320 
1 1 1 -15 -30 52 o 51.915  4.8532  342.646    60.425   224.334    109.327  394.684    72.506   38.394  11.105  55.420  5.4630  -17.02561      12.37567 
1 1 1 -15 -30 53 o 40.323  5.6441  211.873    53.708   314.056    109.369  179.400    61.655   46.232  10.037  36.259  7.2611  9.973656       12.38841 
1 1 1 -15 -30 54 f 80.610  4.3638  819.286    85.035   884.041    152.334  789.974    102.490  80.416  7.9094  78.353  5.4243  2.063522       9.590666 
1 1 1 -15 -30 55 o 78.245  4.8272  780.484    91.199   868.731    169.988  744.816    108.070  77.958  9.1613  75.498  5.9475  2.460159       10.92254 
1 1 1 -15 -30 56 o 37.786  7.4480  198.443    65.859   327.078    134.603  157.955    75.515   44.437  12.140  32.646  9.1601  11.79071       15.20787 
1 1 1 -15 -30 57 o 46.234  6.2451  285.290    68.266   396.306    143.472  252.801    77.615   48.972  12.136  42.426  7.8280  6.545845       14.44138 
1 1 1 -15 -30 58 o 18.940  7.9677  22.127     62.231   -199.4395  138.835  77.836     69.616   18.328  9.0054  24.259  8.9544  -5.930473      12.69953 
1 1 1 -15 -30 59 o 16.755  7.5465  -14.6902   64.614   140.615    143.522  -54.1697   72.362   30.635  12.412  15.767  7.4097  14.86825       14.45550 
1 1 1 -15 -30 60 o 22.178  8.0248  63.147     55.507   -61.1484   135.662  88.139     60.832   21.633  10.160  25.100  8.4451  -3.466970      13.21122 
1 1 1 -15 -30 61 o 18.307  7.5871  23.370     55.189   13.445     134.667  25.373     60.504   24.240  10.909  19.030  7.9201  5.210079       13.48065 
1 1 1 -15 -30 62 o 27.518  10.546  106.534    98.590   0.0000     0.0000   106.534    98.590   ?       ?       27.518  10.546  0.000000       10.54604 
1 1 1 -15 -30 63 o 36.320  11.188  217.093    108.315  0.0000     0.0000   217.093    108.315  ?       ?       36.320  11.188  0.000000       11.18783 
1 1 1 -15 -30 64 o 22.872  9.5361  52.059     87.940   -317.6439  362.393  75.192     90.650   26.747  13.376  24.597  9.8996  2.150749       16.64092 
1 1 1 -15 -29 1  o 27.768  6.0297  100.664    39.461   32.550     67.547   135.956    48.621   21.112  8.5284  32.251  6.4388  -11.13878      10.68612 
1 1 1 -15 -29 2  o 41.058  4.6031  211.472    45.068   225.214    66.938   200.076    60.954   41.602  6.8712  39.248  6.6373  2.353767       9.553413 
1 1 1 -15 -29 3  o 34.228  5.1326  148.839    41.312   150.300    61.778   147.657    55.563   33.587  7.7396  33.491  7.0601  0.9653854E-01  10.47595 
1 1 1 -15 -29 4  o 33.075  7.7552  145.530    61.159   145.530    61.159   0.0000     0.0000   33.075  7.7552  ?       ?       0.000000       7.755233 
1 1 1 -15 -29 5  o 25.827  4.9295  85.330     29.765   71.867     56.268   90.561     35.075   24.146  8.1222  26.464  5.6350  -2.318075      9.885512 
1 1 1 -15 -29 6  o 72.762  3.6024  649.609    63.600   563.900    105.431  698.641    79.744   66.624  6.6091  75.131  4.3935  -8.506630      7.936170 
1 1 1 -15 -29 7  o 41.427  3.9895  212.835    39.606   155.706    69.265   240.588    48.277   34.189  8.4081  43.920  4.5983  -9.731426      9.583329 
1 1 1 -15 -29 8  o 69.706  3.6235  597.160    61.074   529.996    101.207  635.627    76.592   64.717  6.5346  71.700  4.4241  -6.983055      7.891400 
1 1 1 -15 -29 9  o 41.076  4.0834  209.218    40.158   200.955    69.574   213.346    49.177   39.268  7.5766  41.261  5.0151  -1.993271      9.086020 
1 1 1 -15 -29 10 o 68.591  3.6221  577.680    60.069   577.459    98.918   577.809    75.607   67.855  6.0722  68.354  4.5851  -0.4992981     7.608858 
1 1 1 -15 -29 11 o 92.140  3.6601  1039.34    81.827   1007.35    130.565  1060.04    105.008  89.835  6.0248  92.673  4.6851  -2.838654      7.632047 
1 1 1 -15 -29 12 o 86.690  3.6364  919.542    76.489   916.492    123.029  921.465    97.657   85.747  5.9501  86.421  4.6745  -0.6742630     7.566656 
1 1 1 -15 -29 13 o 42.020  4.1884  218.611    42.135   263.925    72.900   195.880    51.632   45.537  6.8067  39.444  5.5481  6.092548       8.781374 
1 1 1 -15 -29 14 o 60.233  3.7124  445.391    53.993   386.360    88.854   479.948    67.984   55.310  6.7616  62.361  4.5237  -7.051395      8.135298 
1 1 1 -15 -29 15 o 28.817  8.2122  107.418    60.208   130.706    111.456  97.822     71.546   32.812  11.420  28.064  9.1492  4.747831       14.63285 
1 1 1 -15 -29 16 o 38.941  7.3769  195.245    67.151   141.731    120.261  219.489    80.945   34.084  11.862  41.053  8.4088  -6.969193      14.54040 
1 1 1 -15 -29 17 o 14.430  6.5824  -31.4273   51.089   5.1993     101.003  -44.0201   59.224   23.373  10.003  15.086  6.9576  8.286309       12.18498 
1 1 1 -15 -29 18 o 20.185  7.9102  31.867     56.397   40.341     101.706  28.104     67.770   25.602  10.421  21.200  8.5501  4.401384       13.47933 
1 1 1 -15 -29 19 o 28.328  6.1495  102.951    41.056   154.933    109.830  94.507     44.265   34.873  11.334  27.071  6.7595  7.801601       13.19676 
1 1 1 -15 -29 20 o 46.842  4.2221  270.728    47.472   351.613    79.737   226.317    59.084   52.944  6.3326  42.433  5.8980  10.51104       8.653811 
1 1 1 -15 -29 21 f 74.883  6.1011  697.394    109.892  697.394    109.892  0.0000     0.0000   74.883  6.1011  ?       ?       0.000000       6.101117 
1 1 1 -15 -29 22 o 66.113  6.2345  545.139    98.832   545.139    98.832   0.0000     0.0000   66.113  6.2345  ?       ?       0.000000       6.234547 
1 1 1 -15 -29 23 o 78.858  6.4408  775.013    122.163  775.013    122.163  0.0000     0.0000   78.858  6.4408  ?       ?       0.000000       6.440780 
1 1 1 -15 -29 24 o 54.716  5.4627  372.208    71.555   414.993    98.817   325.043    103.751  57.301  7.2709  50.111  8.8568  7.189899       11.45902 
1 1 1 -15 -29 25 o 27.270  6.0403  95.405     38.915   219.961    86.133   63.459     43.621   41.016  8.9097  22.661  7.1196  18.35522       11.40492 
1 1 1 -15 -29 26 o 13.142  5.9576  -22.6710   41.023   -2.5599    113.838  -25.6724   43.978   24.304  10.513  13.507  6.1404  10.79768       12.17475 
1 1 1 -15 -29 27 o 12.870  5.9801  -38.8062   44.990   6.1214     104.474  -49.0347   49.849   23.792  10.178  13.205  6.1878  10.58666       11.91128 
1 1 1 -15 -29 28 o 42.119  7.1817  226.989    70.764   276.854    140.294  209.973    81.953   45.113  12.422  40.064  8.6813  5.048908       15.15522 
1 1 1 -15 -29 29 o 34.542  7.8772  155.482    64.558   52.326     126.295  191.969    75.112   28.379  11.588  38.344  8.3129  -9.965406      14.26172 
1 1 1 -15 -29 30 o 63.388  4.0279  494.073    61.629   525.833    108.143  478.798    75.000   64.555  7.0171  62.168  5.0147  2.386990       8.624804 
1 1 1 -15 -29 31 o 38.018  5.1869  181.374    46.599   130.623    95.562   197.206    53.375   32.111  10.579  39.535  5.7313  -7.423416      12.03175 
1 1 1 -15 -29 32 o 89.023  3.8767  970.786    83.740   991.647    138.908  958.876    104.956  88.999  6.4769  88.085  4.9305  0.9141922      8.140067 
1 1 1 -15 -29 33 o 86.185  4.8882  918.461    101.801  0.0000     0.0000   918.461    101.801  ?       ?       86.185  4.8882  0.000000       4.888209 
1 1 1 -15 -29 34 o 63.667  5.0437  503.584    77.279   0.0000     0.0000   503.584    77.279   ?       ?       63.667  5.0437  0.000000       5.043738 
1 1 1 -15 -29 35 o 44.751  5.3310  251.358    56.747   0.0000     0.0000   251.358    56.747   ?       ?       44.751  5.3310  0.000000       5.330996 
1 1 1 -15 -29 36 o 70.055  4.0131  604.807    67.932   728.508    122.460  549.821    81.645   75.895  6.7194  66.462  5.1017  9.432793       8.436675 
1 1 1 -15 -29 37 o 42.576  4.3948  225.667    44.748   257.671    77.382   209.587    54.849   44.572  7.4157  40.655  5.7181  3.916161       9.364296 
1 1 1 -15 -29 38 o 70.386  3.8199  610.350    64.993   607.223    105.465  612.265    82.526   69.291  6.3432  70.162  4.8779  -0.8707886     8.001923 
1 1 1 -15 -29 39 o 32.552  5.3574  135.077    40.843   130.151    71.710   137.443    49.690   31.192  8.9854  32.508  6.5264  -1.315441      11.10544 
1 1 1 -15 -29 40 f 28.544  5.8072  105.420    38.852   81.890     70.727   115.589    46.495   25.984  9.0940  29.712  6.6188  -3.728745      11.24764 
1 1 1 -15 -29 41 o 28.928  7.5170  111.085    53.244   90.966     91.562   121.365    65.448   27.903  10.274  30.105  8.5561  -2.201939      13.37050 
1 1 1 -15 -29 42 o 43.038  6.4541  238.746    65.321   269.857    108.609  221.114    81.762   44.049  10.339  40.539  8.5798  3.510017       13.43536 
1 1 1 -15 -29 43 o 19.255  7.4867  32.822     50.216   137.349    85.106   -23.0049   62.197   31.823  9.9360  16.517  7.4251  15.30570       12.40390 
1 1 1 -15 -29 44 o 58.376  4.0680  422.755    57.260   430.160    97.992   418.915    70.560   57.599  7.1664  57.754  5.0871  -0.1544800     8.788424 
1 1 1 -15 -29 45 o 61.721  4.2448  473.497    63.184   561.482    112.161  432.595    76.473   65.877  7.1307  58.529  5.4474  7.347469       8.973363 
1 1 1 -15 -29 46 o 101.199 4.0519  1265.88    99.493   1280.58    164.049  1257.32    125.133  99.921  6.8069  100.158 5.1666  -0.2367096     8.545601 
1 1 1 -15 -29 47 o 87.790  4.0522  953.363    86.317   1080.80    146.174  885.135    106.956  91.822  6.6049  83.880  5.2821  7.942894       8.457306 
1 1 1 -15 -29 48 o 78.707  5.7662  786.450    109.354  894.188    194.716  736.814    132.165  80.374  10.215  75.152  7.3416  5.221992       12.57967 
1 1 1 -15 -29 49 o 62.128  5.9678  494.126    88.856   670.812    167.871  425.355    104.731  69.216  10.310  56.554  7.8433  12.66222       12.95436 
1 1 1 -15 -29 50 o 69.247  4.2968  598.971    71.840   577.900    126.011  609.117    87.442   65.716  8.0724  69.358  5.2344  -3.641891      9.621012 
1 1 1 -15 -29 51 o 75.880  4.2653  719.724    78.213   824.722    137.368  669.359    95.140   79.139  7.2337  72.499  5.4482  6.639893       9.055943 
1 1 1 -15 -29 52 o 43.200  5.2601  239.437    53.999   199.833    105.312  253.564    62.896   36.534  10.987  44.110  6.0349  -7.575428      12.53544 
1 1 1 -15 -29 53 o 58.424  4.5603  431.165    64.135   423.142    117.774  434.548    76.468   54.790  9.1840  58.150  5.4844  -3.360180      10.69695 
1 1 1 -15 -29 54 o 16.521  6.7230  18.906     42.324   -32.9585   92.344   32.698     47.620   19.264  8.8116  18.567  7.2708  0.6972122      11.42405 
1 1 1 -15 -29 55 o 52.672  5.8093  361.963    73.010   479.170    144.047  321.444    84.695   56.192  10.959  48.570  7.4222  7.621517       13.23556 
1 1 1 -15 -29 56 o 18.655  7.7040  24.527     56.616   112.927    122.975  0.7511     63.776   28.999  11.580  17.714  7.7621  11.28491       13.94090 
1 1 1 -15 -29 57 o 57.773  5.5392  434.394    76.697   574.614    154.326  388.401    88.385   61.371  10.756  53.585  6.9624  7.786648       12.81246 
1 1 1 -15 -29 58 o 34.789  9.3939  181.106    81.154   248.171    164.071  159.384    93.376   37.087  13.735  32.125  10.451  4.961937       17.25943 
1 1 1 -15 -29 59 o 32.453  9.6976  159.308    82.236   66.983     163.384  190.633    95.170   27.919  12.322  34.983  10.427  -7.064108      16.14216 
1 1 1 -15 -29 60 o 26.090  8.3206  96.341     59.394   322.271    142.783  49.068     65.312   43.355  12.734  21.477  8.4823  21.87830       15.30055 
1 1 1 -15 -29 61 o 15.125  6.8128  -15.5156   52.667   -27.2805   138.281  -13.5194   56.960   23.055  10.632  15.864  7.1207  7.190769       12.79650 
1 1 1 -15 -29 62 o 20.084  9.1294  -18.5933   97.169   0.0000     0.0000   -18.5933   97.169   ?       ?       20.084  9.1294  0.000000       9.129376 
1 1 1 -15 -29 63 o 40.986  10.742  266.333    108.121  496.871    345.956  241.378    113.823  41.876  18.220  38.335  11.398  3.541084       21.49175 
1 1 1 -15 -29 64 o 27.926  10.717  114.627    101.906  -0.0047    369.030  124.090    106.029  30.959  15.099  28.677  10.949  2.281748       18.65095 
1 1 1 -15 -28 1  o 63.961  4.0203  506.111    62.076   488.716    95.575   518.804    81.640   61.918  6.4565  64.319  5.2777  -2.401539      8.339113 
1 1 1 -15 -28 2  o 79.717  4.4440  787.597    85.616   804.391    113.003  764.966    131.178  79.948  5.8663  77.331  7.0693  2.616867       9.186301 
1 1 1 -15 -28 3  o 74.806  3.5425  686.540    64.299   735.339    105.270  657.499    81.208   76.550  5.7087  72.786  4.6222  3.763969       7.345293 
1 1 1 -15 -28 4  o 35.164  4.2006  154.322    35.132   164.298    63.396   149.900    42.205   35.325  7.6203  34.393  5.2215  0.9313965      9.237548 
1 1 1 -15 -28 5  o 66.552  3.5995  544.463    57.909   614.810    96.914   505.398    72.219   70.046  5.7530  63.817  4.6970  6.229168       7.426859 
1 1 1 -15 -28 6  o 26.580  5.0868  90.167     31.612   99.732     57.449   86.013     37.860   27.674  8.0629  25.762  6.1431  1.912144       10.13651 
1 1 1 -15 -28 7  o 10.854  4.7386  -4.4671    23.576   -11.2609   45.946   -2.0391    27.468   14.838  6.5423  12.028  5.1834  2.809820       8.346835 
1 1 1 -15 -28 8  f 96.820  3.6820  1147.69    86.501   1092.31    137.484  1183.97    111.289  93.540  6.0907  98.067  4.6770  -4.527290      7.679240 
1 1 1 -15 -28 9  o 95.302  3.6700  1111.34    84.867   1006.92    135.025  1179.54    109.113  89.797  6.2357  97.948  4.5911  -8.150040      7.743541 
1 1 1 -15 -28 10 o 65.693  3.6319  529.302    57.668   491.326    95.001   551.461    72.567   62.587  6.3434  66.868  4.4987  -4.281242      7.776740 
1 1 1 -15 -28 11 o 20.609  6.0900  53.481     32.570   47.394     57.901   56.299     39.393   21.854  8.1465  21.389  6.7716  0.4649620      10.59336 
1 1 1 -15 -28 12 o 111.845 3.8086  1529.60    103.359  1375.76    160.481  1638.66    135.115  105.176 6.3177  115.491 4.8216  -10.31485      7.947405 
1 1 1 -15 -28 13 o 84.591  3.9933  875.312    81.963   720.951    156.301  933.858    96.259   75.170  8.7322  87.148  4.5681  -11.97829      9.854848 
1 1 1 -15 -28 14 o 84.058  3.6245  862.834    73.925   882.188    117.193  850.044    95.271   84.393  5.7574  83.110  4.7440  1.283195       7.460147 
1 1 1 -15 -28 15 o 26.092  5.5237  86.881     33.881   27.992     59.568   115.043    41.193   20.242  8.0670  30.052  5.8597  -9.809855      9.970554 
1 1 1 -15 -28 16 o 129.487 5.8192  2066.15    182.834  1920.40    279.228  2175.55    241.903  122.985 9.4289  131.959 7.5870  -8.973892      12.10238 
1 1 1 -15 -28 17 o 58.464  6.0236  425.691    84.226   378.426    141.122  451.842    104.972  53.461  11.236  59.878  7.3814  -6.417175      13.44375 
1 1 1 -15 -28 18 o 26.584  8.6124  86.458     63.443   304.091    114.430  -10.1292   76.232   48.169  10.113  19.618  8.5441  28.55146       13.23882 
1 1 1 -15 -28 19 o 115.066 5.5724  1627.99    155.581  1793.24    239.288  1506.97    204.772  119.538 8.3014  109.781 7.7369  9.756668       11.34779 
1 1 1 -15 -28 20 f 70.753  6.2555  622.080    106.284  622.080    106.284  0.0000     0.0000   70.753  6.2555  ?       ?       0.000000       6.255457 
1 1 1 -15 -28 21 o 57.008  6.6946  406.980    90.841   406.980    90.841   0.0000     0.0000   57.008  6.6946  ?       ?       0.000000       6.694613 
1 1 1 -15 -28 22 o 48.504  7.3299  298.016    83.575   298.016    83.575   0.0000     0.0000   48.504  7.3299  ?       ?       0.000000       7.329882 
1 1 1 -15 -28 23 o 74.198  3.7749  673.707    67.738   630.719    108.379  701.265    86.774   71.224  6.3375  75.516  4.7601  -4.292076      7.926043 
1 1 1 -15 -28 24 o 107.893 3.7914  1421.08    99.255   1709.32    159.621  1239.37    126.737  117.904 5.5795  100.349 5.2231  17.55533       7.642793 
1 1 1 -15 -28 25 o 15.901  6.0460  22.123     32.243   21.297     78.680   22.290     35.347   22.016  9.0862  16.388  6.3064  5.627668       11.06034 
1 1 1 -15 -28 26 o 60.244  4.0095  445.423    58.275   480.234    103.789  429.395    70.424   61.856  7.0406  58.963  4.9688  2.893574       8.617358 
1 1 1 -15 -28 27 o 131.608 5.7527  2133.57    183.702  2221.73    287.801  2072.95    238.639  132.589 8.9991  128.760 7.6731  3.827972       11.82627 
1 1 1 -15 -28 28 o 19.004  7.6860  20.803     54.932   -63.7741   113.321  46.781     62.804   21.479  9.8001  22.349  8.4523  -0.8702087     12.94159 
1 1 1 -15 -28 29 f 84.021  5.5962  873.448    113.437  1098.74    197.917  763.231    138.431  92.989  8.8797  77.938  7.4093  15.05124       11.56486 
1 1 1 -15 -28 30 o 91.368  4.3171  1022.57    95.709   1030.54    205.998  1020.37    108.083  89.601  9.6260  91.014  4.9124  -1.413223      10.80704 
1 1 1 -15 -28 31 o 110.644 3.9491  1497.75    106.020  1505.22    168.809  1492.89    136.242  110.020 6.3505  110.157 5.0972  -0.1371078     8.143164 
1 1 1 -15 -28 32 o 18.447  7.1032  29.058     44.865   0.0000     0.0000   29.058     44.865   ?       ?       18.447  7.1032  0.000000       7.103246 
1 1 1 -15 -28 33 o 64.564  4.8621  515.656    75.610   0.0000     0.0000   515.656    75.610   ?       ?       64.564  4.8621  0.000000       4.862124 
1 1 1 -15 -28 34 o 93.648  4.8883  1082.86    110.691  0.0000     0.0000   1082.86    110.691  ?       ?       93.648  4.8883  0.000000       4.888304 
1 1 1 -15 -28 35 o 95.189  3.9158  1110.56    90.442   1089.84    150.794  1122.20    113.028  93.162  6.7158  95.291  4.9051  -2.128647      8.316387 
1 1 1 -15 -28 36 o 11.892  5.2766  -9.9669    30.348   -2.4824    53.581   -13.5022   36.824   16.759  7.2309  12.957  5.7768  3.802311       9.255070 
1 1 1 -15 -28 37 o 31.080  5.3131  122.814    38.629   70.926     67.292   148.315    47.176   24.871  8.8549  34.064  5.9226  -9.193245      10.65303 
1 1 1 -15 -28 38 o 63.396  3.9065  495.305    59.800   532.614    98.714   473.676    75.161   64.949  6.3449  61.664  5.0683  3.285210       8.120684 
1 1 1 -15 -28 39 o 27.562  6.0231  98.429     39.155   184.830    72.411   62.727     46.547   37.334  8.2162  22.542  7.3812  14.79202       11.04484 
1 1 1 -15 -28 40 o 80.081  3.8110  788.002    74.050   877.558    120.175  733.185    94.020   83.553  5.9670  76.713  5.0799  6.839783       7.836444 
1 1 1 -15 -28 41 o 74.319  5.4397  691.801    97.412   877.133    153.044  565.584    126.299  82.470  7.7387  65.923  8.0640  16.54736       11.17654 
1 1 1 -15 -28 42 o 59.066  5.6907  440.114    80.550   375.134    128.942  481.702    103.154  52.156  10.551  61.202  7.0769  -9.045242      12.70473 
1 1 1 -15 -28 43 o 12.690  5.8052  -24.9824   40.100   -80.4348   80.265   -6.5384    46.291   16.337  7.7159  15.164  6.6296  1.172781       10.17281 
1 1 1 -15 -28 44 o 27.658  6.0158  99.709     39.223   50.341     72.279   120.314    46.697   23.092  8.9810  30.296  6.5438  -7.204077      11.11220 
1 1 1 -15 -28 45 o 48.829  4.6939  298.511    54.928   207.588    99.258   338.645    65.945   38.527  10.383  51.816  5.3207  -13.28899      11.66697 
1 1 1 -15 -28 46 o 27.840  6.6703  102.275    44.468   140.002    85.624   88.341     52.036   32.039  9.9601  25.896  7.7086  6.142935       12.59466 
1 1 1 -15 -28 47 o 69.400  4.2094  598.082    70.548   811.526    124.261  496.559    85.698   79.687  6.4828  62.603  5.7044  17.08369       8.635210 
1 1 1 -15 -28 48 o 51.959  6.3302  347.321    78.157   397.177    150.312  328.847    91.499   52.053  12.126  49.817  7.8279  2.235828       14.43345 
1 1 1 -15 -28 49 o 70.632  5.8956  635.291    100.117  587.432    183.617  655.539    119.432  63.138  12.428  71.072  7.0172  -7.934483      14.27231 
1 1 1 -15 -28 50 o 66.273  6.1008  563.153    97.004   432.464    172.198  623.904    117.405  52.796  13.415  69.145  7.0985  -16.34859      15.17702 
1 1 1 -15 -28 51 o 51.497  4.8169  334.935    59.489   366.969    115.224  323.293    69.463   51.160  9.6356  50.142  5.8175  1.018120       11.25560 
1 1 1 -15 -28 52 o 68.612  4.4991  591.018    74.488   709.940    138.647  542.766    88.315   72.734  7.9876  65.115  5.6456  7.619247       9.781378 
1 1 1 -15 -28 53 o 44.768  5.5069  258.337    58.558   332.595    114.156  231.820    68.216   47.890  10.140  41.647  6.9988  6.242474       12.32075 
1 1 1 -15 -28 54 o 35.272  6.1677  164.623    50.863   64.394     107.592  193.470    57.720   25.842  10.641  38.156  6.4653  -12.31414      12.45088 
1 1 1 -15 -28 55 o 70.241  5.2809  632.355    89.346   687.586    170.302  611.380    104.949  68.161  10.645  68.210  6.4166  -0.4851532E-01 12.42956 
1 1 1 -15 -28 56 o 47.398  6.1843  296.640    69.429   414.626    147.899  263.290    78.631   50.850  12.153  43.679  7.7007  7.171173       14.38701 
1 1 1 -15 -28 57 f 16.673  7.1927  5.2638     53.003   -153.3689  135.862  33.741     57.564   19.288  9.3507  19.553  7.8821  -0.2648296     12.22963 
1 1 1 -15 -28 58 o 51.702  8.2371  375.370    99.868   123.049    199.977  459.208    115.272  31.447  13.763  56.919  8.6160  -25.47198      16.23757 
1 1 1 -15 -28 59 o 34.483  9.5524  178.172    82.674   166.158    176.447  181.551    93.581   32.779  13.574  34.308  10.366  -1.529034      17.07936 
1 1 1 -15 -28 60 o 25.920  8.3982  94.397     60.325   273.685    153.071  61.431     65.637   39.366  13.396  22.663  8.6241  16.70254       15.93164 
1 1 1 -15 -28 61 o 22.834  8.2617  66.729     58.831   147.631    151.357  52.330     63.852   31.580  12.763  21.727  8.4438  9.853331       15.30353 
1 1 1 -15 -28 62 o 21.571  9.3419  21.284     90.105   203.393    322.600  5.8749     93.839   35.485  16.319  21.045  9.3109  14.43938       18.78810 
1 1 1 -15 -28 63 o 26.725  10.277  96.398     93.832   43.095     337.385  100.867    97.686   32.040  15.327  27.179  10.477  4.860207       18.56540 
1 1 1 -15 -28 64 o 14.704  7.2024  -135.5974  86.707   63.134     360.760  -147.7810  89.325   32.138  15.494  14.682  7.2159  17.45576       17.09173 
1 1 1 -15 -27 1  o 40.756  3.8806  205.957    37.912   297.939    67.461   163.497    45.834   48.513  5.8489  35.875  5.4358  12.63855       7.984780 
1 1 1 -15 -27 2  o 114.638 3.8055  1613.60    105.852  1697.46    166.585  1556.81    137.086  116.466 5.9142  112.101 5.0399  4.365181       7.770368 
1 1 1 -15 -27 3  o 33.820  4.3537  143.032    34.898   174.468    60.850   127.625    42.599   36.642  7.1005  31.565  5.7748  5.077253       9.152354 
1 1 1 -15 -27 4  o 119.410 3.8689  1748.94    112.095  1725.32    174.889  1765.40    146.036  117.477 6.1569  119.519 5.0357  -2.042191      7.953934 
1 1 1 -15 -27 5  o 147.936 4.2214  2687.80    151.530  2568.24    231.460  2777.48    200.459  143.319 6.6559  149.740 5.5173  -6.421204      8.645318 
1 1 1 -15 -27 6  o 147.419 4.1539  2666.04    148.586  2740.00    227.241  2610.79    196.385  148.382 6.3116  145.244 5.5724  3.137848       8.419542 
1 1 1 -15 -27 7  o 77.241  3.5634  729.386    66.785   770.529    109.025  704.676    84.493   78.713  5.7482  75.587  4.6292  3.125694       7.380448 
1 1 1 -15 -27 8  o 15.913  5.6610  27.099     27.497   61.938     51.245   13.012     32.586   22.908  7.7509  14.778  5.9397  8.129971       9.765094 
1 1 1 -15 -27 9  o 48.106  3.8854  284.820    44.965   286.682    76.360   283.832    55.633   47.580  6.8084  47.830  4.8612  -0.2500229     8.365720 
1 1 1 -15 -27 10 o 72.786  3.5893  646.917    63.389   743.504    103.328  588.630    80.269   77.500  5.5312  69.089  4.8184  8.410576       7.335571 
1 1 1 -15 -27 11 o 106.844 3.7336  1394.17    96.794   1369.05    150.955  1411.71    126.137  105.188 5.9388  107.272 4.8461  -2.083565      7.665100 
1 1 1 -15 -27 12 o 12.446  5.2108  3.3560     26.412   -4.9706    50.748   6.4494     30.931   16.229  7.0195  13.736  5.6853  2.492494       9.033079 
1 1 1 -15 -27 13 o 63.608  3.6856  495.379    56.640   570.378    93.039   451.218    71.393   67.860  5.7034  60.478  4.9075  7.382839       7.524103 
1 1 1 -15 -27 14 o 30.081  5.1742  114.043    36.404   128.510    63.512   106.965    44.426   31.528  8.2183  28.886  6.4961  2.642403       10.47565 
1 1 1 -15 -27 15 o 92.692  3.7015  1048.09    83.250   902.417    130.428  1148.25    108.145  85.335  6.3444  96.876  4.6007  -11.54060      7.837008 
1 1 1 -15 -27 16 o 86.567  3.6789  913.940    77.275   746.364    121.851  1026.67    99.943   77.530  6.5383  91.632  4.4951  -14.10169      7.934444 
1 1 1 -15 -27 17 o 67.724  5.6611  566.974    92.173   392.654    153.339  665.595    115.336  54.483  11.930  73.194  6.5639  -18.71133      13.61633 
1 1 1 -15 -27 18 o 23.970  8.4031  63.987     60.400   130.049    105.663  31.924     73.612   32.905  11.130  22.304  8.9407  10.60065       14.27622 
1 1 1 -15 -27 19 o 132.922 8.9780  2215.94    287.863  2215.94    287.863  0.0000     0.0000   132.922 8.9780  ?       ?       0.000000       8.977955 
1 1 1 -15 -27 20 o 123.869 8.8002  1922.59    262.773  1922.59    262.773  0.0000     0.0000   123.869 8.8002  ?       ?       0.000000       8.800153 
1 1 1 -15 -27 21 o 189.680 7.0671  4443.88    325.258  4443.88    325.258  0.0000     0.0000   189.680 7.0671  ?       ?       0.000000       7.067124 
1 1 1 -15 -27 22 o 115.383 3.8542  1623.87    107.904  1622.96    165.706  1624.54    142.178  114.771 5.9710  115.177 5.0875  -0.4064560     7.844441 
1 1 1 -15 -27 23 o 114.269 3.7631  1592.34    104.337  1957.46    164.134  1344.76    135.160  126.360 5.3533  104.604 5.3430  21.75610       7.563479 
1 1 1 -15 -27 24 o 7.4853  3.7080  -59.2488   25.257   63.702     59.575   -86.1907   27.888   23.875  8.3468  7.1077  3.5756  16.76728       9.080443 
1 1 1 -15 -27 25 o 67.725  3.9377  561.589    64.429   518.239    113.090  582.421    78.396   64.303  7.3820  68.839  4.7221  -4.536072      8.763084 
1 1 1 -15 -27 26 o 85.279  3.8402  887.362    79.463   835.344    133.111  916.165    99.048   81.992  6.7508  86.396  4.7430  -4.403687      8.250411 
1 1 1 -15 -27 27 f 95.280  5.5164  1118.39    126.988  1045.49    209.830  1160.52    159.516  90.688  9.6856  96.674  6.8446  -5.985703      11.85997 
1 1 1 -15 -27 28 o 18.125  7.5802  8.7712     55.809   -105.2286  116.246  42.917     63.620   20.302  9.4930  22.117  8.4727  -1.814404      12.72420 
1 1 1 -15 -27 29 o 63.234  6.0706  497.124    91.997   700.243    170.418  413.587    109.290  73.916  9.7391  57.058  8.1234  16.85804       12.68225 
1 1 1 -15 -27 30 o 17.764  7.6199  -1.3565    58.844   13.029     132.400  -4.8974    65.688   26.995  11.501  18.507  7.9955  8.488655       14.00693 
1 1 1 -15 -27 31 o 104.888 4.9848  1350.51    126.864  0.0000     0.0000   1350.51    126.864  ?       ?       104.888 4.9848  0.000000       4.984787 
1 1 1 -15 -27 32 o 64.088  4.8213  506.856    74.423   0.0000     0.0000   506.856    74.423   ?       ?       64.088  4.8213  0.000000       4.821260 
1 1 1 -15 -27 33 o 42.004  5.4248  220.820    53.996   0.0000     0.0000   220.820    53.996   ?       ?       42.004  5.4248  0.000000       5.424781 
1 1 1 -15 -27 34 o 23.720  6.6804  71.930     40.087   115.166    91.888   61.767     44.549   30.655  10.379  22.455  7.2109  8.199617       12.63814 
1 1 1 -15 -27 35 o 80.938  3.7409  801.459    73.468   712.187    116.866  859.793    94.469   75.425  6.4477  83.509  4.6811  -8.084000      7.967773 
1 1 1 -15 -27 36 f 140.124 4.1239  2408.12    140.212  2569.53    213.778  2286.27    185.743  143.809 6.1265  135.898 5.6329  7.910187       8.322513 
1 1 1 -15 -27 37 o 140.124 4.1934  2410.81    142.575  2369.16    217.743  2442.06    188.638  137.754 6.5144  140.410 5.5369  -2.655167      8.549554 
1 1 1 -15 -27 38 o 117.126 3.9210  1682.97    111.433  1876.26    173.851  1548.18    145.177  122.846 5.8325  111.804 5.3515  11.04219       7.915575 
1 1 1 -15 -27 39 o 38.792  4.6842  188.211    43.198   113.919    75.320   224.627    52.733   29.649  9.3610  42.276  5.2540  -12.62720      10.73465 
1 1 1 -15 -27 40 o 115.444 3.9740  1637.85    111.318  1723.83    174.197  1578.51    144.723  117.251 6.1443  112.778 5.2887  4.472908       8.106963 
1 1 1 -15 -27 41 o 46.061  4.3119  263.716    47.630   288.463    82.879   251.511    58.202   47.130  7.4986  44.644  5.4885  2.486038       9.292629 
1 1 1 -15 -27 42 o 94.934  5.5290  1127.30    126.809  1216.59    193.501  1060.07    167.885  96.848  8.3150  90.789  7.6934  6.058975       11.32815 
1 1 1 -15 -27 43 o 41.734  6.7841  225.394    66.340   230.913    106.634  221.909    84.734   40.732  10.664  40.604  8.8504  0.1282349      13.85823 
1 1 1 -15 -27 44 o 57.844  5.9356  423.879    82.128   340.379    129.935  479.431    105.983  49.258  11.133  60.914  7.3170  -11.65665      13.32248 
1 1 1 -15 -27 45 o 53.344  4.5545  354.854    58.386   385.345    107.964  342.252    69.412   53.891  8.5415  52.029  5.5856  1.861496       10.20567 
1 1 1 -15 -27 46 o 38.643  5.5111  190.239    50.211   209.847    96.136   182.884    58.880   38.862  10.102  37.459  6.7251  1.402523       12.13571 
1 1 1 -15 -27 47 o 49.431  4.7992  306.419    56.836   228.366    107.456  336.738    66.971   40.198  10.791  51.614  5.4290  -11.41528      12.07939 
1 1 1 -15 -27 48 o 26.813  7.2937  95.549     48.711   224.094    123.231  71.744     53.030   39.354  11.896  23.820  7.8823  15.53383       14.27074 
1 1 1 -15 -27 49 o 59.866  6.2028  458.762    88.794   379.087    158.346  495.307    107.241  50.235  12.918  61.622  7.3153  -11.38659      14.84565 
1 1 1 -15 -27 50 o 32.414  8.1201  143.033    63.730   -102.8075  131.655  218.270    72.832   21.106  9.9423  40.382  7.7145  -19.27521      12.58421 
1 1 1 -15 -27 51 o 22.078  7.2771  61.927     45.216   194.696    98.920   26.860     50.838   36.749  10.544  18.582  7.4365  18.16708       12.90253 
1 1 1 -15 -27 52 o 48.224  5.1324  295.785    59.133   469.769    118.070  237.534    68.318   58.794  8.5251  42.387  6.8783  16.40641       10.95395 
1 1 1 -15 -27 53 o 91.665  4.3252  1048.98    96.199   1192.76    166.190  976.528    117.972  95.135  7.2542  87.470  5.5876  7.664574       9.156667 
1 1 1 -15 -27 54 o 54.906  4.8526  382.589    63.983   340.063    126.995  397.056    74.071   47.512  11.199  55.563  5.5691  -8.051224      12.50728 
1 1 1 -15 -27 55 o 20.508  7.2710  51.320     45.327   100.964    101.773  39.037     50.624   27.982  10.717  19.552  7.5407  8.429953       13.10414 
1 1 1 -15 -27 56 o 29.289  8.2940  121.379    61.615   211.207    143.377  101.032    68.237   35.991  12.913  26.923  8.9428  9.068100       15.70770 
1 1 1 -15 -27 57 o 15.410  6.9509  -17.5874   55.043   -115.0504  144.077  -0.9311    59.561   21.017  10.043  17.118  7.5011  3.898516       12.53532 
1 1 1 -15 -27 58 o 30.108  9.7058  133.682    80.650   288.294    172.803  90.625     91.190   39.840  14.189  26.434  10.140  13.40654       17.43986 
1 1 1 -15 -27 59 o 33.106  9.8646  164.868    85.182   113.595    175.256  180.727    97.470   30.579  13.135  34.202  10.626  -3.622370      16.89454 
1 1 1 -15 -27 60 o 34.346  7.8447  165.977    63.942   152.221    154.211  168.833    70.267   31.986  12.899  34.273  8.4927  -2.287277      15.44342 
1 1 1 -15 -27 61 o 12.177  5.8710  -70.4075   51.808   132.994    147.666  -98.9588   55.324   30.876  12.560  11.682  5.7288  19.19357       13.80523 
1 1 1 -15 -27 62 o 33.452  11.286  175.587    108.640  390.265    366.874  154.953    113.741  40.359  18.096  31.761  11.488  8.598385       21.43484 
1 1 1 -15 -27 63 o 57.399  9.7643  486.209    131.122  602.531    324.434  463.500    143.352  47.560  18.866  54.486  11.217  -6.926208      21.94907 
1 1 1 -15 -27 64 o 17.518  8.3053  -74.9104   94.668   -430.9119  251.899  -16.3599   102.157  21.983  11.017  20.557  9.3506  1.425571       14.44991 
1 1 1 -15 -26 1  o 52.333  4.6730  340.406    58.714   305.895    94.879   361.825    74.745   48.325  8.3963  53.618  5.8397  -5.292645      10.22742 
1 1 1 -15 -26 2  o 93.115  3.9256  1063.64    88.694   1127.93    168.094  1038.84    104.412  94.312  7.4050  91.687  4.7092  2.625008       8.775574 
1 1 1 -15 -26 3  o 104.614 3.6971  1340.02    93.847   1376.12    148.129  1315.81    121.296  105.151 5.8286  103.328 4.8380  1.822685       7.574879 
1 1 1 -15 -26 4  o 130.146 4.0106  2075.74    126.649  1901.58    195.476  2201.73    166.267  123.378 6.5532  133.613 5.1285  -10.23444      8.321415 
1 1 1 -15 -26 5  o 22.776  5.3456  66.499     29.034   47.946     52.586   74.636     34.824   21.387  7.7997  24.086  5.9850  -2.698793      9.831381 
1 1 1 -15 -26 6  o 64.702  3.5469  512.877    55.472   447.001    91.054   551.756    69.952   59.723  6.3822  66.961  4.3286  -7.238243      7.711624 
1 1 1 -15 -26 7  o 20.942  5.6342  55.902     29.256   76.794     52.733   46.611     35.165   24.865  7.8306  19.705  6.4138  5.159988       10.12197 
1 1 1 -15 -26 8  o 21.181  5.7981  57.063     30.669   111.306    55.214   32.859     36.883   29.345  7.6692  17.942  6.5339  11.40250       10.07510 
1 1 1 -15 -26 9  o 21.050  5.9060  56.121     31.393   165.955    57.354   9.1397     37.511   36.054  6.8057  15.241  6.2801  20.81258       9.260518 
1 1 1 -15 -26 10 o 34.903  4.5710  151.566    37.781   172.534    65.224   140.978    46.348   36.628  7.5883  33.362  5.9434  3.266373       9.638808 
1 1 1 -15 -26 11 o 166.650 4.3493  3394.73    175.869  3566.11    263.444  3256.95    236.211  170.072 6.3840  162.691 5.9837  7.381393       8.749856 
1 1 1 -15 -26 12 f 19.495  5.9129  47.000     30.406   -60.9174   54.437   95.937     36.657   13.470  6.3597  27.459  5.6890  -13.98859      8.532889 
1 1 1 -15 -26 13 o 18.670  6.1595  40.962     32.391   57.986     57.883   33.200     39.084   23.121  8.2146  18.298  6.7164  4.823467       10.61085 
1 1 1 -15 -26 14 o 152.351 4.1985  2833.22    155.206  2866.32    233.353  2806.96    207.842  152.657 6.2999  151.266 5.6628  1.391174       8.470879 
1 1 1 -15 -26 15 o 95.028  3.6818  1100.56    84.894   1134.53    133.094  1077.25    110.228  96.007  5.7396  93.736  4.8631  2.271729       7.522872 
1 1 1 -15 -26 16 o 123.434 3.8939  1857.59    116.622  1846.74    178.369  1865.69    154.130  122.659 5.9931  123.476 5.1445  -0.8162689     7.898316 
1 1 1 -15 -26 17 o 85.578  3.6780  892.343    76.372   890.416    120.483  893.637    98.745   85.005  5.8774  85.381  4.7856  -0.3759995     7.579365 
1 1 1 -15 -26 18 o 140.139 8.9983  2452.59    304.356  2452.59    304.356  0.0000     0.0000   140.139 8.9983  ?       ?       0.000000       8.998333 
1 1 1 -15 -26 19 o 73.130  9.2088  675.511    159.779  675.511    159.779  0.0000     0.0000   73.130  9.2088  ?       ?       0.000000       9.208763 
1 1 1 -15 -26 20 o 84.817  8.8492  902.863    179.436  902.863    179.436  0.0000     0.0000   84.817  8.8492  ?       ?       0.000000       8.849211 
1 1 1 -15 -26 21 o 89.951  5.6578  995.162    122.858  1033.04    188.172  967.023    162.201  90.849  8.6403  88.167  7.6580  2.682182       11.54560 
1 1 1 -15 -26 22 o 61.723  3.7308  465.874    55.612   526.525    96.500   435.716    68.048   65.211  6.1721  59.534  4.7503  5.677299       7.788479 
1 1 1 -15 -26 23 o 135.793 3.9745  2248.24    130.955  2503.59    200.568  2058.48    172.895  142.902 5.7844  129.643 5.4963  13.25879       7.979231 
1 1 1 -15 -26 24 o 79.945  3.6507  778.682    70.816   969.468    116.895  668.069    89.007   88.809  5.4511  73.746  5.0038  15.06247       7.399465 
1 1 1 -15 -26 25 o 124.219 3.9926  1881.76    120.340  2000.87    188.551  1799.90    156.318  127.653 6.0875  121.245 5.3135  6.407707       8.080270 
1 1 1 -15 -26 26 o 98.726  3.8527  1188.39    92.291   1444.29    150.688  1034.77    116.751  108.361 5.7517  91.781  5.2646  16.58033       7.797317 
1 1 1 -15 -26 27 o 150.383 4.2296  2760.72    154.335  3047.47    235.658  2545.35    204.225  157.452 6.1683  143.994 5.8452  13.45882       8.497966 
1 1 1 -15 -26 28 o 15.516  7.0037  -28.5074   56.004   -56.9464   118.410  -20.3122   63.564   22.468  10.159  17.235  7.6422  5.233629       12.71259 
1 1 1 -15 -26 29 o 39.744  7.6316  202.057    70.920   188.990    139.451  206.616    82.368   38.801  12.779  39.959  8.7387  -1.158249      15.48144 
1 1 1 -15 -26 30 o 152.905 8.0873  2917.60    298.981  0.0000     0.0000   2917.60    298.981  ?       ?       152.905 8.0873  0.000000       8.087317 
1 1 1 -15 -26 31 o 28.080  8.7042  98.738     65.446   0.0000     0.0000   98.738     65.446   ?       ?       28.080  8.7042  0.000000       8.704192 
1 1 1 -15 -26 32 o 12.483  5.5740  -13.9381   34.426   0.0000     0.0000   -13.9381   34.426   ?       ?       12.483  5.5740  0.000000       5.573968 
1 1 1 -15 -26 33 o 26.865  6.2493  92.666     39.968   204.403    89.579   64.893     44.660   39.461  9.4752  22.935  7.2037  16.52652       11.90261 
1 1 1 -15 -26 34 o 31.570  5.3388  125.894    39.437   69.820     67.435   155.042    48.619   24.999  8.8681  34.977  5.9413  -9.978052      10.67438 
1 1 1 -15 -26 35 o 65.320  3.8121  523.454    60.156   593.909    98.278   481.240    76.073   69.074  5.9210  62.350  5.0723  6.723583       7.796613 
1 1 1 -15 -26 36 o 20.016  6.3309  49.154     34.439   72.423     60.551   38.028     41.870   24.731  8.4251  19.135  6.9626  5.596401       10.92982 
1 1 1 -15 -26 37 o 128.938 4.0629  2037.76    127.111  1994.40    195.041  2069.78    167.591  126.469 6.3764  129.469 5.3348  -2.999748      8.313796 
1 1 1 -15 -26 38 o 108.369 3.8607  1439.00    101.516  1515.69    158.614  1385.79    132.122  110.324 5.9472  105.942 5.1397  4.381462       7.860428 
1 1 1 -15 -26 39 o 91.212  3.7999  1019.77    84.097   1097.25    133.756  969.124    108.147  93.763  5.9094  88.432  5.0612  5.331596       7.780532 
1 1 1 -15 -26 40 o 58.250  3.9759  418.487    55.860   366.237    93.520   447.467    69.649   53.388  7.4199  60.017  4.8235  -6.628582      8.849927 
1 1 1 -15 -26 41 o 48.647  4.2745  293.498    49.943   287.056    86.728   296.694    61.088   46.923  7.8980  48.645  5.2592  -1.722340      9.488871 
1 1 1 -15 -26 42 o 81.647  5.4974  833.161    108.275  910.317    166.175  776.238    142.734  83.859  8.2747  77.733  7.6675  6.125893       11.28104 
1 1 1 -15 -26 43 o 46.233  6.3951  273.323    69.820   283.181    116.641  267.818    87.160   45.203  10.785  45.019  8.2844  0.1838379      13.59961 
1 1 1 -15 -26 44 o 49.468  6.2955  312.241    73.853   258.338    117.079  347.864    95.179   42.921  11.144  51.594  7.8505  -8.673046      13.63133 
1 1 1 -15 -26 45 o 26.703  6.1737  93.067     39.201   139.417    70.538   72.355     47.154   32.164  8.7886  23.761  7.3921  8.402920       11.48399 
1 1 1 -15 -26 46 o 59.883  4.4017  445.675    63.508   500.757    113.806  420.765    76.532   62.039  7.7279  57.780  5.5263  4.258320       9.500486 
1 1 1 -15 -26 47 o 50.404  4.7808  318.085    57.770   227.831    106.974  355.244    68.640   40.266  10.748  53.070  5.4060  -12.80369      12.03111 
1 1 1 -15 -26 48 o 74.069  5.0839  687.009    90.816   968.983    134.027  447.640    123.487  87.283  6.3725  57.700  9.1235  29.58220       11.12869 
1 1 1 -15 -26 49 o 56.811  6.2698  413.174    84.987   294.318    161.232  458.902    100.008  44.047  13.663  59.502  7.0650  -15.45456      15.38188 
1 1 1 -15 -26 50 o 23.069  8.1612  63.770     57.075   60.007     122.207  64.820     64.547   27.367  11.312  23.671  8.6401  3.695942       14.23394 
1 1 1 -15 -26 51 o 64.624  4.5576  522.554    71.007   588.460    128.600  493.648    85.167   66.505  8.1392  62.274  5.6996  4.231667       9.936409 
1 1 1 -15 -26 52 o 22.492  7.3560  64.874     46.235   115.483    106.043  52.995     51.375   29.867  11.046  21.351  7.7212  8.516016       13.47722 
1 1 1 -15 -26 53 o 56.029  4.7274  395.975    63.669   439.299    122.756  380.030    74.469   56.182  9.3324  54.404  5.7273  1.777908       10.94972 
1 1 1 -15 -26 54 o 49.349  5.1504  310.767    60.763   461.794    120.415  259.173    70.380   57.769  8.8744  44.241  6.7719  13.52832       11.16303 
1 1 1 -15 -26 55 o 34.736  6.4735  160.792    52.554   211.111    111.091  146.284    59.650   37.166  11.309  32.563  7.6752  4.603123       13.66737 
1 1 1 -15 -26 56 o 34.283  7.6716  162.679    62.223   110.520    145.682  174.318    68.815   30.094  12.385  35.233  8.2028  -5.139244      14.85550 
1 1 1 -15 -26 57 o 57.457  5.6273  427.824    77.444   300.575    171.260  460.534    86.829   41.160  14.165  59.290  6.1238  -18.13011      15.43245 
1 1 1 -15 -26 58 o 48.043  8.6965  327.184    97.645   193.827    187.282  376.968    114.429  34.681  14.131  50.852  9.6265  -16.17037      17.09848 
1 1 1 -15 -26 59 o 21.698  8.8944  40.834     74.758   213.647    167.214  -2.3357    83.575   35.623  13.714  19.755  8.7611  15.86788       16.27374 
1 1 1 -15 -26 60 o 16.411  7.1971  -2.2716    54.931   -131.1710  145.653  19.102     59.311   20.715  9.9516  18.553  7.7904  2.161537       12.63821 
1 1 1 -15 -26 61 o 49.620  6.5914  328.006    77.394   505.343    174.149  284.362    86.395   55.131  13.194  45.093  8.1981  10.03790       15.53391 
1 1 1 -15 -26 62 o 23.090  9.9349  30.971     100.588  -100.5843  251.349  56.058     109.761  27.552  13.193  25.130  10.577  2.421671       16.90927 
1 1 1 -15 -26 63 o 58.756  10.105  512.516    138.871  412.599    320.986  535.524    154.033  41.518  17.803  58.901  11.187  -17.38275      21.02567 
1 1 1 -15 -26 64 o 36.412  11.544  217.018    114.457  -92.0261   303.990  268.067    123.549  28.962  14.027  40.211  11.855  -11.24914      18.36580 
1 1 1 -15 -25 1  o 45.398  4.7356  256.410    51.397   310.287    83.909   224.057    65.023   49.248  7.2378  41.900  6.6152  7.348583       9.805470 
1 1 1 -15 -25 2  o 93.325  4.8683  1074.99    109.859  1061.19    170.732  1084.73    143.516  91.537  7.7601  93.181  6.3861  -1.644371      10.04992 
1 1 1 -15 -25 3  o 80.964  3.8299  801.974    75.238   908.932    144.284  762.029    88.175   85.081  7.0527  78.636  4.6419  6.445595       8.443154 
1 1 1 -15 -25 4  o 67.280  3.5131  554.247    57.151   642.582    94.549   503.389    71.741   72.014  5.4514  63.882  4.6605  8.131687       7.171967 
1 1 1 -15 -25 5  f 95.535  3.6478  1114.55    84.558   1010.15    134.180  1183.32    108.904  90.207  6.1673  98.256  4.5679  -8.049034      7.674707 
1 1 1 -15 -25 6  o 52.118  3.6416  333.133    45.762   433.469    75.979   276.013    57.327   59.155  5.3514  47.154  5.0912  12.00074       7.386319 
1 1 1 -15 -25 7  f 81.460  3.5278  809.308    69.728   833.879    111.659  793.602    89.275   82.167  5.6346  80.390  4.5959  1.776489       7.271264 
1 1 1 -15 -25 8  o 79.524  3.5933  771.187    69.336   749.089    111.384  785.167    88.594   77.815  5.9442  79.986  4.5839  -2.170776      7.506398 
1 1 1 -15 -25 9  o 122.514 3.8917  1831.28    115.688  1674.36    177.762  1946.57    152.373  116.451 6.3148  126.086 4.9806  -9.634750      8.042539 
1 1 1 -15 -25 10 o 119.472 3.8516  1740.70    111.652  1683.25    171.733  1782.77    146.949  116.881 6.0764  120.688 5.0181  -3.807297      7.880597 
1 1 1 -15 -25 11 o 153.648 4.1892  2880.83    156.177  3023.22    235.293  2768.68    208.807  156.864 6.1819  150.249 5.7276  6.615158       8.427369 
1 1 1 -15 -25 12 o 70.893  3.6490  613.912    62.556   635.277    101.285  600.735    79.540   71.739  5.8701  69.966  4.7127  1.772949       7.527757 
1 1 1 -15 -25 13 o 105.571 3.7366  1357.90    95.716   1302.85    148.397  1397.12    125.254  102.903 5.9690  106.933 4.8274  -4.029358      7.676796 
1 1 1 -15 -25 14 o 85.827  3.6728  897.239    76.486   804.127    121.088  959.051    98.659   80.720  6.2306  88.516  4.6096  -7.795700      7.750402 
1 1 1 -15 -25 15 o 165.938 4.3994  3359.20    177.133  3179.74    263.918  3506.31    238.946  160.839 6.7626  169.181 5.8208  -8.342224      8.922716 
1 1 1 -15 -25 16 o 72.245  3.7173  637.347    64.942   565.120    103.765  683.856    83.267   67.568  6.4056  74.714  4.6157  -7.146149      7.895353 
1 1 1 -15 -25 17 o 76.415  6.0192  719.829    110.702  719.829    110.702  0.0000     0.0000   76.415  6.0192  ?       ?       0.000000       6.019241 
1 1 1 -15 -25 18 o 102.113 5.8894  1281.16    145.300  1281.16    145.300  0.0000     0.0000   102.113 5.8894  ?       ?       0.000000       5.889357 
1 1 1 -15 -25 19 o 122.671 8.6264  1871.21    255.132  1871.21    255.132  0.0000     0.0000   122.671 8.6264  ?       ?       0.000000       8.626404 
1 1 1 -15 -25 20 o 175.202 6.4565  3766.18    274.471  3919.75    402.072  3632.15    375.601  177.413 9.3734  170.895 9.0907  6.518478       13.05766 
1 1 1 -15 -25 21 o 113.682 5.4360  1580.51    149.948  1936.73    233.484  1330.46    195.621  125.107 7.7293  103.576 7.8419  21.53089       11.01083 
1 1 1 -15 -25 22 o 95.857  4.0982  1119.89    95.319   1384.04    194.478  1036.37    109.354  105.707 7.6337  91.992  4.9169  13.71426       9.080182 
1 1 1 -15 -25 23 o 69.892  3.6696  596.469    62.014   704.903    104.944  538.289    76.871   75.665  5.7593  66.226  4.8168  9.439209       7.508080 
1 1 1 -15 -25 24 o 66.138  3.6914  534.362    59.003   525.924    99.998   538.869    73.080   65.163  6.4074  66.297  4.5709  -1.134003      7.870677 
1 1 1 -15 -25 25 o 155.915 4.2359  2964.42    160.251  3126.74    241.582  2836.87    214.147  159.649 6.2364  152.183 5.7994  7.466553       8.516186 
1 1 1 -15 -25 26 o 86.672  3.8548  915.350    81.067   740.345    133.516  1017.54    102.025  77.208  7.2105  91.179  4.6267  -13.97127      8.567243 
1 1 1 -15 -25 27 o 105.165 3.8804  1347.93    99.017   1289.17    158.924  1385.20    126.589  102.245 6.4388  106.465 4.9003  -4.220276      8.091480 
1 1 1 -15 -25 28 o 73.452  5.6072  664.795    99.179   611.771    179.630  688.047    118.954  68.904  11.123  74.504  6.6500  -5.600365      12.95924 
1 1 1 -15 -25 29 o 147.016 7.9382  2684.33    282.124  0.0000     0.0000   2684.33    282.124  ?       ?       147.016 7.9382  0.000000       7.938242 
1 1 1 -15 -25 30 o 114.391 7.1866  1622.27    198.456  0.0000     0.0000   1622.27    198.456  ?       ?       114.391 7.1866  0.000000       7.186603 
1 1 1 -15 -25 31 o 112.642 7.1077  1574.13    193.269  0.0000     0.0000   1574.13    193.269  ?       ?       112.642 7.1077  0.000000       7.107720 
1 1 1 -15 -25 32 o 79.066  3.9482  763.114    75.745   741.650    133.531  773.297    91.974   77.075  7.2244  79.334  4.8005  -2.258675      8.673911 
1 1 1 -15 -25 33 o 79.558  3.7108  772.380    71.634   840.612    114.290  728.233    91.931   82.472  5.7473  76.923  4.9518  5.549377       7.586257 
1 1 1 -15 -25 34 o 57.822  3.8967  410.242    54.352   501.862    89.594   356.889    68.370   63.560  5.8759  53.638  5.3236  9.921833       7.928845 
1 1 1 -15 -25 35 o 97.260  3.7822  1155.69    89.258   1250.32    140.603  1091.81    115.520  100.536 5.7883  94.139  5.0761  6.396324       7.698766 
1 1 1 -15 -25 36 f 65.701  3.8309  529.509    60.807   645.941    99.579   460.280    76.785   72.126  5.7374  60.937  5.2442  11.18824       7.773002 
1 1 1 -15 -25 37 o 84.465  4.5846  878.425    93.608   935.337    124.153  803.452    142.497  86.745  5.9342  79.812  7.4442  6.933441       9.520010 
1 1 1 -15 -25 38 o 85.316  4.5808  896.964    94.481   959.529    124.756  812.819    144.680  87.814  5.8892  80.148  7.5278  7.665787       9.557791 
1 1 1 -15 -25 39 o 42.669  4.5190  226.276    46.075   144.035    80.245   266.723    56.275   33.033  9.5021  46.224  5.1025  -13.19122      10.78541 
1 1 1 -15 -25 40 o 51.083  4.2860  322.888    52.633   342.356    88.181   312.113    65.601   51.728  7.2226  49.901  5.5098  1.826786       9.084320 
1 1 1 -15 -25 41 o 63.241  3.9751  492.909    60.687   512.584    98.224   480.763    77.180   63.707  6.4428  62.120  5.1673  1.586811       8.259020 
1 1 1 -15 -25 42 o 80.335  5.5304  805.857    107.145  836.279    167.072  784.604    139.642  80.204  8.7259  78.381  7.4313  1.823448       11.46144 
1 1 1 -15 -25 43 o 43.175  6.7347  239.786    68.251   114.992    107.809  323.254    88.170   30.858  11.181  49.957  7.5057  -19.09902      13.46665 
1 1 1 -15 -25 44 o 26.257  8.0432  89.395     56.072   213.260    98.573   30.142     68.177   39.396  10.224  21.125  8.5561  18.27078       13.33146 
1 1 1 -15 -25 45 o 48.647  4.4436  294.669    51.872   357.588    88.886   262.175    63.878   52.647  7.1426  45.401  5.9410  7.245678       9.290471 
1 1 1 -15 -25 46 o 20.680  7.0456  51.098     42.345   -6.7311    87.036   69.031     48.468   20.733  9.0768  23.385  7.5227  -2.652174      11.78890 
1 1 1 -15 -25 47 o 47.577  4.9961  284.221    56.814   208.673    104.420  315.992    67.715   38.651  10.746  49.952  5.6883  -11.30085      12.15828 
1 1 1 -15 -25 48 o 41.628  6.7407  224.811    65.758   168.613    103.082  263.373    85.389   34.915  10.941  44.498  8.2111  -9.582951      13.67913 
1 1 1 -15 -25 49 o 18.326  7.4944  19.816     52.918   -6.6282    115.462  26.848     59.540   23.510  10.368  19.751  7.9972  3.758900       13.09421 
1 1 1 -15 -25 50 o 8.1461  4.1113  -124.6557  38.574   -78.9605   98.596   -132.9138  41.915   18.589  8.7081  8.5457  4.3096  10.04339       9.716139 
1 1 1 -15 -25 51 f 28.752  6.7785  109.834    46.519   44.340     97.251   129.265    52.972   24.544  10.113  31.111  7.1651  -6.566761      12.39363 
1 1 1 -15 -25 52 o 41.471  5.6713  220.969    55.571   254.562    113.441  210.362    63.744   41.787  11.028  39.970  6.8172  1.817398       12.96466 
1 1 1 -15 -25 53 o 17.986  6.8674  31.648     41.708   -166.1149  95.332   78.464     46.383   15.324  7.5158  24.290  7.2886  -8.965909      10.46952 
1 1 1 -15 -25 54 o 11.059  5.3008  -53.7047   40.805   -70.8360   92.091   -49.5194   45.518   17.876  8.3875  12.154  5.7611  5.722971       10.17549 
1 1 1 -15 -25 55 o 38.745  5.9980  196.449    54.565   189.838    113.532  198.434    62.223   35.421  11.524  38.507  6.9137  -3.085827      13.43897 
1 1 1 -15 -25 56 o 35.309  7.6817  171.842    63.941   167.066    145.345  172.988    71.200   33.499  12.813  35.021  8.4713  -1.522545      15.35996 
1 1 1 -15 -25 57 o 17.475  7.3882  12.704     53.943   65.426     139.432  3.4239     58.498   27.477  11.756  17.351  7.5206  10.12623       13.95610 
1 1 1 -15 -25 58 o 12.392  6.0180  -86.7384   56.941   -210.8669  148.835  -65.4549   61.630   19.218  9.4185  13.950  6.6390  5.268204       11.52323 
1 1 1 -15 -25 59 o 19.707  8.5910  7.3313     77.232   404.413    184.050  -77.5333   85.086   47.300  14.586  16.564  7.8589  30.73594       16.56847 
1 1 1 -15 -25 60 o 66.652  5.6389  575.000    90.340   578.326    181.588  573.907    104.143  59.641  12.922  65.837  6.6084  -6.196098      14.51350 
1 1 1 -15 -25 61 o 39.273  7.9194  214.577    72.860   204.004    154.798  217.586    82.579   35.388  13.295  38.903  8.9363  -3.515614      16.01904 
1 1 1 -15 -25 62 o 15.856  7.1678  -19.6797   58.908   -40.3197   142.719  -15.4412   64.674   23.239  10.747  16.884  7.5824  6.354382       13.15226 
1 1 1 -15 -25 63 o 36.653  11.484  214.047    113.580  343.412    276.571  187.804    124.569  40.291  16.865  34.256  12.064  6.034927       20.73513 
1 1 1 -15 -25 64 o 25.145  10.686  56.287     113.776  576.354    294.291  -35.1052   123.368  48.143  18.275  21.694  10.018  26.44920       20.84092 
1 1 1 -15 -24 1  o 95.745  4.8637  1130.00    112.621  1250.34    175.629  1045.96    146.768  99.761  7.3063  91.473  6.6583  8.288368       9.885149 
1 1 1 -15 -24 2  o 31.841  5.4334  128.242    40.471   102.356    68.658   142.025    50.100   28.489  8.9292  33.320  6.4297  -4.831612      11.00321 
1 1 1 -15 -24 3  o 82.303  4.7992  833.707    95.424   794.461    149.931  860.428    123.715  79.377  7.8891  83.233  6.1697  -3.856689      10.01513 
1 1 1 -15 -24 4  o 78.397  4.7420  755.812    89.779   857.192    142.124  688.495    115.812  82.831  7.1413  74.370  6.4827  8.460709       9.644820 
1 1 1 -15 -24 5  o 170.344 4.4972  3549.75    185.880  3352.86    279.214  3706.47    249.104  164.589 6.9915  173.539 5.9159  -8.949783      9.158534 
1 1 1 -15 -24 6  o 139.980 4.0029  2391.76    135.958  2554.47    207.344  2269.04    180.073  144.140 5.9284  135.986 5.4574  8.153946       8.057929 
1 1 1 -15 -24 7  o 57.065  3.6727  398.587    50.583   294.545    82.686   460.809    63.944   48.312  7.2796  61.276  4.3286  -12.96392      8.469309 
1 1 1 -15 -24 8  o 117.354 3.8035  1678.84    108.304  1694.23    167.198  1667.72    142.160  117.504 5.8643  116.757 5.0180  0.7464371      7.718148 
1 1 1 -15 -24 9  o 78.424  3.6255  749.219    68.989   658.603    110.578  806.969    88.276   72.966  6.3078  81.179  4.4992  -8.213036      7.747991 
1 1 1 -15 -24 10 o 125.659 3.9056  1924.33    119.083  1863.39    182.045  1969.91    157.439  123.258 6.0869  126.936 5.1117  -3.677109      7.948583 
1 1 1 -15 -24 11 o 54.803  3.8362  367.662    50.691   379.465    84.426   361.009    63.388   55.247  6.4175  54.153  4.8765  1.094597       8.060085 
1 1 1 -15 -24 12 o 152.958 4.2315  2852.30    157.048  2676.52    235.667  2992.73    210.635  147.663 6.5775  156.405 5.5503  -8.742004      8.606364 
1 1 1 -15 -24 13 o 98.326  3.6931  1177.15    88.109   1093.49    137.708  1235.14    114.647  94.295  6.0507  100.607 4.6964  -6.312477      7.659488 
1 1 1 -15 -24 14 o 135.886 4.0342  2249.58    133.015  2091.22    201.548  2371.78    177.048  130.612 6.3596  139.329 5.2371  -8.717041      8.238428 
1 1 1 -15 -24 15 o 96.508  3.7191  1133.90    87.090   908.386    135.384  1293.10    113.749  85.825  6.5507  102.971 4.5527  -17.14648      7.977367 
1 1 1 -15 -24 16 f 172.578 6.6794  3653.37    279.696  3653.37    279.696  0.0000     0.0000   172.578 6.6794  ?       ?       0.000000       6.679375 
1 1 1 -15 -24 17 o 82.116  5.9019  829.194    116.809  829.194    116.809  0.0000     0.0000   82.116  5.9019  ?       ?       0.000000       5.901911 
1 1 1 -15 -24 18 o 23.733  8.6355  57.358     64.406   57.358     64.406   0.0000     0.0000   23.733  8.6355  ?       ?       0.000000       8.635499 
1 1 1 -15 -24 19 f 92.811  5.6303  1056.85    126.193  985.095    189.963  1113.53    168.828  88.833  8.9343  94.902  7.3900  -6.068848      11.59459 
1 1 1 -15 -24 20 o 85.001  5.2102  885.580    106.941  895.909    172.507  879.133    136.289  84.793  8.4990  84.408  6.7098  0.3846054      10.82842 
1 1 1 -15 -24 21 o 38.610  6.2910  187.178    56.907   66.399     112.837  228.376    65.901   28.767  11.212  42.682  6.5744  -13.91465      12.99760 
1 1 1 -15 -24 22 o 85.408  5.3219  894.489    109.740  987.197    180.113  839.755    138.393  89.055  8.4360  82.421  6.9859  6.633949       10.95298 
1 1 1 -15 -24 23 o 164.515 4.3411  3298.92    173.290  3519.55    259.654  3121.72    232.695  169.488 6.3138  159.697 6.0052  9.791489       8.713572 
1 1 1 -15 -24 24 o 87.181  3.6544  925.201    77.304   936.308    125.008  918.324    98.367   87.266  5.9391  86.637  4.6969  0.6296921      7.571863 
1 1 1 -15 -24 25 f 130.145 3.9657  2063.19    125.230  2097.14    192.014  2038.06    165.200  130.862 6.0472  129.150 5.2717  1.711807       8.022422 
1 1 1 -15 -24 26 o 104.825 3.8584  1338.34    98.137   1430.11    159.239  1282.14    124.615  107.875 6.1087  102.463 5.0123  5.412140       7.901921 
1 1 1 -15 -24 27 o 154.003 5.0797  2897.52    189.814  3072.18    244.380  2631.91    301.362  158.262 6.3639  145.605 8.5678  12.65790       10.67268 
1 1 1 -15 -24 28 o 41.715  5.6469  216.781    55.688   0.0000     0.0000   216.781    55.688   ?       ?       41.715  5.6469  0.000000       5.646936 
1 1 1 -15 -24 29 f 119.438 7.2980  1764.13    210.484  0.0000     0.0000   1764.13    210.484  ?       ?       119.438 7.2980  0.000000       7.297976 
1 1 1 -15 -24 30 o 101.272 6.9350  1268.51    169.385  0.0000     0.0000   1268.51    169.385  ?       ?       101.272 6.9350  0.000000       6.934959 
1 1 1 -15 -24 31 o 111.161 5.6710  1518.94    152.452  1907.67    261.261  1318.24    187.727  123.541 8.7727  103.004 7.5641  20.53719       11.58338 
1 1 1 -15 -24 32 o 53.896  3.9660  356.266    51.501   250.686    85.439   416.520    64.544   44.255  8.2606  58.196  4.6086  -13.94174      9.459150 
1 1 1 -15 -24 33 o 145.818 4.1480  2596.53    146.760  2839.08    222.018  2408.30    195.585  151.928 6.0226  140.010 5.7572  11.91760       8.331717 
1 1 1 -15 -24 34 o 172.898 4.5511  3657.61    190.927  3596.02    284.613  3708.00    257.448  170.512 6.8791  173.495 6.1156  -2.982376      9.204518 
1 1 1 -15 -24 35 o 76.364  3.7523  711.919    69.526   745.409    111.513  690.621    88.926   77.551  5.9721  74.889  4.9212  2.662186       7.738472 
1 1 1 -15 -24 36 o 81.913  3.7491  819.570    74.516   782.812    118.120  843.868    96.037   79.370  6.1822  82.806  4.8004  -3.436180      7.827070 
1 1 1 -15 -24 37 o 37.221  6.3499  176.114    55.290   255.535    77.214   92.538     79.208   44.722  7.3725  27.974  9.6332  16.74855       12.13061 
1 1 1 -15 -24 38 o 103.353 3.8579  1306.91    96.748   1386.32    151.683  1252.44    125.618  105.683 5.9392  100.718 5.1575  4.965286       7.866043 
1 1 1 -15 -24 39 o 113.091 3.9139  1566.32    107.400  1674.90    167.193  1490.04    140.136  116.090 5.9555  109.890 5.2557  6.199944       7.942955 
1 1 1 -15 -24 40 o 63.409  3.9204  494.606    60.022   553.472    99.091   460.491    75.436   66.424  6.2206  60.866  5.1563  5.558250       8.079846 
1 1 1 -15 -24 41 o 69.044  3.9449  586.632    65.814   511.305    107.149  632.269    83.401   63.440  7.0817  71.438  4.8400  -7.998707      8.577648 
1 1 1 -15 -24 42 o 40.713  4.8583  207.453    47.045   200.113    81.808   211.079    57.504   38.754  8.8891  40.757  5.9938  -2.003246      10.72104 
1 1 1 -15 -24 43 o 83.328  5.5131  866.692    110.839  966.862    170.220  792.956    146.043  86.613  8.1971  78.620  7.7568  7.993446       11.28541 
1 1 1 -15 -24 44 o 62.961  5.7398  498.204    86.723   564.035    136.539  453.690    112.279  65.578  8.8032  59.090  8.0398  6.488586       11.92201 
1 1 1 -15 -24 45 o 60.428  4.2606  452.309    62.070   297.166    103.697  538.929    77.484   46.978  9.4251  65.781  4.8895  -18.80351      10.61786 
1 1 1 -15 -24 46 o 18.876  6.9959  36.532     42.579   -45.8426   80.909   68.082     50.073   17.970  8.2300  23.364  7.6559  -5.393999      11.24036 
1 1 1 -15 -24 47 o 21.970  7.2648  59.499     45.050   137.132    84.626   28.799     53.217   31.952  9.8967  19.264  7.6413  12.68789       12.50340 
1 1 1 -15 -24 48 o 93.460  4.2177  1078.36    95.645   850.742    156.950  1212.82    120.632  80.824  8.1126  98.623  5.0580  -17.79984      9.560205 
1 1 1 -15 -24 49 o 8.5417  4.2914  -116.2977  39.463   -106.1111  99.017   -118.2213  43.028   17.747  8.4371  9.1442  4.5782  8.602490       9.599185 
1 1 1 -15 -24 50 o 13.497  6.2483  -36.3994   48.443   17.192     110.049  -49.2793   53.951   24.199  10.401  13.746  6.4399  10.45292       12.23366 
1 1 1 -15 -24 51 o 34.596  6.2515  155.913    50.546   247.889    98.222   122.781    58.951   42.168  9.7882  30.160  7.9449  12.00776       12.60676 
1 1 1 -15 -24 52 o 79.915  4.3481  795.598    83.996   908.121    147.150  741.215    102.299  83.446  7.3423  76.502  5.5488  6.944481       9.203235 
1 1 1 -15 -24 53 o 24.700  7.2448  81.237     46.244   118.981    98.944   70.688     52.309   29.938  10.729  23.490  7.8312  6.448204       13.28300 
1 1 1 -15 -24 54 o 42.599  5.5463  233.394    55.969   207.470    112.433  241.934    64.533   37.311  11.382  43.007  6.3774  -5.696205      13.04700 
1 1 1 -15 -24 55 o 40.067  5.8576  208.818    55.264   282.342    113.590  186.018    63.256   43.653  10.787  37.120  7.2832  6.533432       13.01517 
1 1 1 -15 -24 56 o 14.022  6.4877  -35.0397   52.112   3.1099     121.776  -43.5919   57.657   23.687  10.537  14.440  6.7298  9.246592       12.50265 
1 1 1 -15 -24 57 o 21.212  8.0110  50.552     56.365   -174.2485  129.650  102.943    62.589   18.468  8.9942  27.193  8.5258  -8.724487      12.39295 
1 1 1 -15 -24 58 o 25.208  9.4900  79.350     78.953   154.679    153.034  52.026     92.167   32.606  12.950  23.925  9.8494  8.681913       16.27024 
1 1 1 -15 -24 59 o 47.373  8.5335  314.993    94.481   275.208    180.359  330.040    110.918  39.434  14.435  47.383  9.9636  -7.948898      17.53991 
1 1 1 -15 -24 60 o 23.574  8.7634  68.218     66.911   253.175    146.412  19.390     75.227   38.925  13.102  20.321  8.6634  18.60356       15.70701 
1 1 1 -15 -24 61 o 57.489  5.9583  430.706    81.908   176.191    170.139  507.487    93.449   34.029  13.609  62.216  6.2760  -28.18704      14.98689 
1 1 1 -15 -24 62 o 32.656  8.5966  152.366    69.049   253.319    152.035  126.131    77.504   38.750  13.346  29.579  9.5125  9.170721       16.38914 
1 1 1 -15 -24 63 o 45.704  10.997  321.745    120.466  306.566    286.663  325.000    132.758  39.206  16.818  45.010  11.954  -5.803619      20.63371 
1 1 1 -15 -24 64 o 24.362  10.282  51.080     104.172  128.946    269.717  37.429     112.935  33.118  15.114  24.170  10.463  8.947371       18.38227 
1 1 1 -15 -23 1  o 84.001  3.5675  861.358    72.713   794.067    116.860  903.870    92.884   79.972  6.0675  85.784  4.4779  -5.811806      7.541001 
1 1 1 -15 -23 2  o 70.584  4.7213  613.074    80.393   624.856    128.148  605.428    103.234  70.485  7.6138  69.798  6.1588  0.6875305      9.792916 
1 1 1 -15 -23 3  o 80.033  4.7913  787.089    92.616   794.162    146.264  782.355    119.663  79.619  7.6658  79.438  6.2590  0.1815033      9.896402 
1 1 1 -15 -23 4  o 16.210  5.9280  26.141     30.406   -65.3126   54.324   67.862     36.692   13.245  6.2828  23.115  6.3479  -9.870346      8.931396 
1 1 1 -15 -23 5  o 150.884 5.8432  2794.60    213.924  2758.91    322.096  2822.76    286.152  148.495 8.9817  150.746 7.8504  -2.251419      11.92896 
1 1 1 -15 -23 6  o 185.561 4.6180  4205.90    207.922  4338.08    309.774  4097.52    280.493  187.712 6.8013  182.611 6.3304  5.100693       9.291456 
1 1 1 -15 -23 7  o 169.059 4.4721  3488.11    183.446  3216.85    274.594  3706.77    246.533  161.658 7.0005  173.913 5.8422  -12.25450      9.118053 
1 1 1 -15 -23 8  o 166.952 4.4287  3400.20    179.403  3204.98    268.590  3557.46    241.065  161.472 6.8553  170.427 5.8295  -8.955368      8.998796 
1 1 1 -15 -23 9  o 87.588  3.6162  933.982    76.853   910.860    120.965  949.633    99.520   86.066  5.8268  88.094  4.6725  -2.028206      7.468871 
1 1 1 -15 -23 10 o 177.713 4.5417  3851.78    195.842  3761.44    291.094  3926.49    264.708  175.029 6.8542  179.052 6.0929  -4.022415      9.170808 
1 1 1 -15 -23 11 o 124.390 3.9143  1884.30    118.142  1692.70    180.444  2028.06    156.300  117.367 6.3600  128.895 4.9976  -11.52793      8.088602 
1 1 1 -15 -23 12 o 55.598  3.8642  378.157    51.806   408.748    84.919   360.022    65.382   57.458  6.1887  54.080  5.0407  3.377594       7.981797 
1 1 1 -15 -23 13 o 89.090  3.6615  965.939    79.150   884.308    124.197  1021.77    102.710  84.798  6.0764  91.425  4.6453  -6.626930      7.648660 
1 1 1 -15 -23 14 o 57.769  3.8293  408.007    53.371   346.256    86.923   445.375    67.618   52.688  6.9704  60.261  4.6607  -7.573750      8.385010 
1 1 1 -15 -23 15 o 90.942  5.7783  1014.94    126.844  1014.94    126.844  0.0000     0.0000   90.942  5.7783  ?       ?       0.000000       5.778296 
1 1 1 -15 -23 16 o 174.886 6.7196  3748.05    285.143  3748.05    285.143  0.0000     0.0000   174.886 6.7196  ?       ?       0.000000       6.719596 
1 1 1 -15 -23 17 o 146.576 6.3177  2629.56    224.690  2629.56    224.690  0.0000     0.0000   146.576 6.3177  ?       ?       0.000000       6.317677 
1 1 1 -15 -23 18 o 206.822 5.0182  5218.36    251.832  4855.34    368.553  5536.30    344.910  198.776 7.6414  212.575 6.6870  -13.79861      10.15414 
1 1 1 -15 -23 19 o 85.038  3.6194  879.852    74.681   1273.86    121.434  640.182    94.710   102.200 4.8970  72.205  5.4459  29.99503       7.323814 
1 1 1 -15 -23 20 o 226.290 7.2596  6284.67    398.603  7727.20    579.642  4990.54    549.022  249.869 9.5606  199.692 11.378  50.17720       14.86150 
1 1 1 -15 -23 21 o 142.348 5.7354  2476.21    198.097  2848.35    297.447  2179.58    265.561  151.919 8.0985  132.784 8.2837  19.13530       11.58472 
1 1 1 -15 -23 22 o 170.691 6.2149  3565.19    257.399  4113.50    379.842  3099.60    350.017  182.645 8.5710  158.115 9.1626  24.52980       12.54652 
1 1 1 -15 -23 23 o 91.820  4.0880  1026.70    91.077   1220.51    186.930  966.377    104.294  99.322  7.8198  88.883  4.8542  10.43933       9.203938 
1 1 1 -15 -23 24 o 53.955  3.9835  356.380    51.782   355.890    93.352   356.598    62.234   53.336  7.4139  53.862  4.8126  -0.5255241     8.838929 
1 1 1 -15 -23 25 o 85.454  3.7299  888.798    77.338   1001.31    127.581  823.439    97.241   90.302  5.8542  82.010  4.9093  8.292366       7.640237 
1 1 1 -15 -23 26 o 54.249  4.0195  360.365    52.532   506.045    93.012   292.130    63.656   64.025  6.0593  48.592  5.4956  15.43324       8.180249 
1 1 1 -15 -23 27 o 118.661 7.3919  1737.68    211.771  0.0000     0.0000   1737.68    211.771  ?       ?       118.661 7.3919  0.000000       7.391881 
1 1 1 -15 -23 28 o 166.076 5.9591  3376.54    240.132  0.0000     0.0000   3376.54    240.132  ?       ?       166.076 5.9591  0.000000       5.959081 
1 1 1 -15 -23 29 o 73.273  6.8822  665.157    120.925  0.0000     0.0000   665.157    120.925  ?       ?       73.273  6.8822  0.000000       6.882190 
1 1 1 -15 -23 30 o 170.908 6.4814  3585.45    268.779  3639.46    415.384  3546.56    352.526  170.515 10.085  169.017 8.6247  1.497940       13.26971 
1 1 1 -15 -23 31 o 163.716 6.2955  3290.10    250.085  3271.09    381.533  3304.41    331.143  161.650 9.7732  163.132 8.3943  -1.481812      12.88334 
1 1 1 -15 -23 32 o 182.717 6.4586  4104.31    286.340  4856.33    435.982  3533.88    379.716  197.478 9.0988  168.103 9.3463  29.37556       13.04384 
1 1 1 -15 -23 33 o 145.410 4.1608  2580.51    146.804  2744.64    221.618  2452.19    195.964  149.450 6.1115  141.377 5.7126  8.072723       8.365643 
1 1 1 -15 -23 34 o 21.249  6.4244  56.049     35.936   108.045    61.373   28.921     44.331   29.096  8.2912  18.452  7.0717  10.64344       10.89734 
1 1 1 -15 -23 35 o 80.781  3.7632  796.234    73.762   772.174    118.640  811.394    94.175   78.922  6.2465  81.264  4.7974  -2.342018      7.876148 
1 1 1 -15 -23 36 o 73.356  3.7817  658.691    67.083   704.561    107.270  629.232    85.967   75.404  5.9103  71.456  4.9896  3.948395       7.734826 
1 1 1 -15 -23 37 o 83.038  3.7960  842.369    76.484   795.623    120.864  873.591    98.777   79.990  6.2777  84.243  4.8529  -4.252586      7.934688 
1 1 1 -15 -23 38 o 19.973  6.6166  47.325     37.363   -21.4890   65.163   81.031     45.605   17.313  7.7043  25.170  7.1382  -7.857012      10.50293 
1 1 1 -15 -23 39 o 92.446  3.8367  1045.61    86.062   1002.09    134.222  1076.01    112.151  89.695  6.2054  93.389  4.9672  -3.693542      7.948555 
1 1 1 -15 -23 40 o 47.367  4.4158  277.806    50.166   332.981    84.947   248.258    62.163   51.174  7.0267  44.388  5.9193  6.786461       9.187595 
1 1 1 -15 -23 41 o 28.927  5.9972  107.614    40.712   138.636    70.489   92.086     49.870   32.416  8.7557  26.654  7.4318  5.762241       11.48450 
1 1 1 -15 -23 42 o 70.636  3.9852  614.178    68.024   615.544    111.718  613.373    85.754   69.822  6.6757  70.281  5.0626  -0.4595108     8.378206 
1 1 1 -15 -23 43 o 60.046  5.8831  453.073    84.614   470.509    130.930  440.570    110.878  59.720  9.3417  58.353  8.0449  1.366970       12.32838 
1 1 1 -15 -23 44 o 45.324  6.5203  262.561    69.642   271.892    112.563  256.774    88.645   44.544  10.573  44.040  8.6041  0.5040207      13.63152 
1 1 1 -15 -23 45 o 50.642  4.7811  319.885    58.054   120.857    120.111  380.555    66.315   31.843  11.760  55.204  5.0053  -23.36102      12.78109 
1 1 1 -15 -23 46 o 63.928  4.2802  506.043    66.010   643.919    115.369  438.940    80.486   71.136  6.7655  59.057  5.6871  12.07975       8.838232 
1 1 1 -15 -23 47 o 89.331  4.1181  983.210    89.262   904.386    148.457  1027.84    111.710  84.004  7.3576  90.838  5.0887  -6.834305      8.945945 
1 1 1 -15 -23 48 o 19.594  7.0101  42.775     42.222   -0.8622    84.768   57.173     48.692   20.815  9.0377  21.908  7.5524  -1.092548      11.77791 
1 1 1 -15 -23 49 o 63.933  6.1283  518.671    93.903   528.174    180.336  515.136    109.992  60.510  12.688  63.139  7.3151  -2.628731      14.64566 
1 1 1 -15 -23 50 o 77.175  7.1523  767.157    132.410  0.0000     0.0000   767.157    132.410  ?       ?       77.175  7.1523  0.000000       7.152285 
1 1 1 -15 -23 51 o 45.606  7.1467  272.147    76.487   545.223    160.535  191.954    86.996   62.292  11.025  37.198  9.5804  25.09423       14.60568 
1 1 1 -15 -23 52 o 96.320  4.2250  1150.23    98.745   1246.44    167.364  1098.86    122.299  98.182  7.0727  93.360  5.4221  4.821671       8.911937 
1 1 1 -15 -23 53 o 76.819  4.3775  736.288    81.257   868.190    143.117  673.541    98.710   81.497  7.3154  72.806  5.6315  8.690590       9.231894 
1 1 1 -15 -23 54 o 41.767  5.6285  224.552    55.589   330.149    109.612  187.990    64.498   48.443  9.6641  37.412  7.3673  11.03054       12.15202 
1 1 1 -15 -23 55 o 68.718  4.5619  593.436    75.631   684.764    141.235  556.718    89.553   71.111  8.3441  65.944  5.6514  5.166893       10.07783 
1 1 1 -15 -23 56 o 32.721  8.1357  148.971    64.318   104.737    144.341  159.931    71.845   30.134  12.356  33.654  8.7255  -3.520050      15.12671 
1 1 1 -15 -23 57 o 47.339  6.3938  295.095    71.563   319.966    139.627  286.235    83.341   44.782  12.417  45.788  7.7799  -1.005127      14.65300 
1 1 1 -15 -23 58 o 74.843  6.4271  733.953    115.584  810.032    172.067  671.394    156.029  75.383  9.6270  68.557  9.6465  6.826233       13.62842 
1 1 1 -15 -23 59 o 43.153  9.0214  265.733    91.420   362.144    172.084  227.824    107.906  45.631  14.109  38.522  11.000  7.108555       17.89028 
1 1 1 -15 -23 60 o 44.516  7.0992  266.910    74.105   108.281    145.936  322.024    86.021   29.972  12.373  48.692  7.5233  -18.71960      14.48044 
1 1 1 -15 -23 61 o 70.382  5.4363  635.880    92.119   564.390    179.768  661.337    107.274  59.433  12.841  71.146  6.2785  -11.71352      14.29366 
1 1 1 -15 -23 62 o 23.323  8.5521  67.268     63.342   195.007    139.215  33.920     71.132   35.094  12.707  20.996  8.6493  14.09835       15.37155 
1 1 1 -15 -23 63 o 47.387  10.936  342.689    123.185  97.059     292.057  395.844    135.862  33.506  15.452  50.658  11.336  -17.15220      19.16423 
1 1 1 -15 -23 64 o 28.680  11.027  113.925    108.010  313.829    275.095  77.492     117.441  39.049  16.605  26.690  11.065  12.35965       19.95423 
1 1 1 -15 -22 1  o 72.555  3.8369  644.257    67.308   670.703    132.747  635.105    78.090   73.131  7.5915  71.919  4.4976  1.212578       8.823793 
1 1 1 -15 -22 2  f 50.682  3.6281  314.749    44.322   258.757    74.069   345.981    55.319   45.278  6.9652  53.043  4.3361  -7.765209      8.204627 
1 1 1 -15 -22 3  o 59.166  4.7946  430.778    68.240   420.925    110.535  436.847    86.744   57.731  8.1149  59.326  6.1136  -1.594864      10.16009 
1 1 1 -15 -22 4  o 84.530  4.8946  876.240    99.960   862.852    157.737  885.225    129.220  83.167  7.9119  84.660  6.3365  -1.492920      10.13654 
1 1 1 -15 -22 5  o 57.412  4.9240  405.591    67.930   350.443    110.853  438.754    85.961   52.434  9.0395  59.528  6.0348  -7.093987      10.86880 
1 1 1 -15 -22 6  o 78.503  4.9427  755.541    93.668   620.702    148.391  844.850    120.767  70.254  8.9050  82.824  6.0512  -12.57078      10.76648 
1 1 1 -15 -22 7  o 150.797 4.1936  2771.26    153.443  2653.17    231.582  2863.67    204.867  147.090 6.4887  153.040 5.5170  -5.950378      8.517087 
1 1 1 -15 -22 8  o 190.173 4.6961  4411.34    216.694  4457.34    321.033  4372.85    293.693  190.556 6.9432  188.905 6.4075  1.651276       9.447957 
1 1 1 -15 -22 9  o 130.160 3.9513  2062.90    124.789  1907.16    188.868  2183.56    166.244  124.810 6.2365  133.746 5.1227  -8.935486      8.070752 
1 1 1 -15 -22 10 o 93.320  3.6155  1059.68    81.868   967.540    125.741  1127.47    107.861  88.767  5.8712  96.169  4.6224  -7.402290      7.472407 
1 1 1 -15 -22 11 o 111.171 3.7525  1504.06    101.222  1534.13    155.706  1482.05    133.211  111.898 5.7543  110.224 4.9808  1.673721       7.610555 
1 1 1 -15 -22 12 o 121.776 3.8718  1804.94    114.404  1729.42    174.419  1861.97    151.561  118.771 6.0726  123.545 5.0559  -4.774124      7.901829 
1 1 1 -15 -22 13 o 207.920 4.8977  5271.43    247.087  5690.48    362.685  4908.48    337.536  215.479 6.9368  200.122 6.9512  15.35689       9.820340 
1 1 1 -15 -22 14 o 193.458 7.0413  4587.54    330.525  4587.54    330.525  0.0000     0.0000   193.458 7.0413  ?       ?       0.000000       7.041290 
1 1 1 -15 -22 15 o 64.241  6.2060  509.228    95.531   509.228    95.531   0.0000     0.0000   64.241  6.2060  ?       ?       0.000000       6.206042 
1 1 1 -15 -22 16 o 113.695 5.8510  1583.34    160.865  1583.34    160.865  0.0000     0.0000   113.695 5.8510  ?       ?       0.000000       5.850995 
1 1 1 -15 -22 17 o 151.156 4.2301  2782.02    155.144  2653.07    230.622  2888.62    209.684  147.257 6.4545  153.811 5.6184  -6.554749      8.557262 
1 1 1 -15 -22 18 o 105.311 3.6882  1349.22    94.243   1567.57    147.993  1200.26    122.231  113.338 5.3815  99.074  5.1019  14.26343       7.415525 
1 1 1 -15 -22 19 o 101.214 3.6845  1246.25    90.485   1455.12    142.524  1105.21    117.116  109.197 5.3791  95.061  5.0960  14.13593       7.409769 
1 1 1 -15 -22 20 o 152.989 5.9209  2859.83    219.793  3056.96    327.210  2697.76    296.695  157.333 8.6038  147.863 8.3032  9.469452       11.95699 
1 1 1 -15 -22 21 o 106.616 5.3641  1390.60    138.324  1524.12    215.274  1296.71    180.521  111.073 8.0421  102.576 7.3006  8.496498       10.86160 
1 1 1 -15 -22 22 o 66.447  5.5457  542.720    88.594   774.076    149.017  416.239    110.181  78.997  7.8794  57.646  8.1009  21.35153       11.30085 
1 1 1 -15 -22 23 o 199.811 6.8180  4890.52    330.551  5263.58    482.364  4560.21    453.875  206.308 9.6360  191.738 9.7884  14.56967       13.73556 
1 1 1 -15 -22 24 o 178.705 4.5101  3891.10    195.564  4422.36    290.966  3453.37    264.117  190.126 6.3072  167.971 6.4803  22.15469       9.042971 
1 1 1 -15 -22 25 o 109.599 3.8065  1461.84    101.228  1623.51    158.538  1350.55    131.531  115.283 5.6677  105.209 5.1524  10.07416       7.659660 
1 1 1 -15 -22 26 o 103.549 7.1147  1321.32    177.674  0.0000     0.0000   1321.32    177.674  ?       ?       103.549 7.1147  0.000000       7.114722 
1 1 1 -15 -22 27 o 90.285  6.9810  1005.60    151.743  0.0000     0.0000   1005.60    151.743  ?       ?       90.285  6.9810  0.000000       6.981023 
1 1 1 -15 -22 28 o 126.050 5.2525  1940.08    160.647  0.0000     0.0000   1940.08    160.647  ?       ?       126.050 5.2525  0.000000       5.252492 
1 1 1 -15 -22 29 o 194.741 4.8257  4627.11    228.025  5241.55    342.589  4138.40    305.535  206.683 6.8313  183.642 6.8568  23.04082       9.679007 
1 1 1 -15 -22 30 o 139.275 5.8868  2374.16    198.938  2280.36    307.438  2441.73    260.930  135.265 9.4261  140.611 7.6769  -5.346375      12.15675 
1 1 1 -15 -22 31 o 79.597  5.4343  778.297    104.327  696.375    175.437  823.118    129.764  74.152  10.006  81.630  6.6082  -7.478485      11.99138 
1 1 1 -15 -22 32 o 58.244  5.8202  419.610    81.152   444.590    136.808  406.049    100.801  58.967  9.9136  56.930  7.4782  2.036701       12.41783 
1 1 1 -15 -22 33 f 90.720  3.7285  1002.84    82.073   1204.40    127.781  861.293    107.080  99.055  5.3362  83.727  5.2982  15.32848       7.519674 
1 1 1 -15 -22 34 o 49.474  4.2299  300.914    50.290   245.594    83.219   332.737    63.119   43.845  8.1214  51.901  5.0771  -8.056030      9.577842 
1 1 1 -15 -22 35 o 46.687  4.2929  268.457    48.087   209.288    77.757   305.099    61.191   40.338  8.2233  49.644  5.1551  -9.305584      9.705578 
1 1 1 -15 -22 36 o 71.278  3.8202  621.785    65.830   620.864    104.997  622.381    84.501   70.731  6.1799  71.108  4.9280  -0.3763580     7.904202 
1 1 1 -15 -22 37 o 72.283  3.8844  639.973    67.878   637.592    108.567  641.500    86.973   71.595  6.3143  72.146  4.9991  -0.5517502     8.053627 
1 1 1 -15 -22 38 o 90.510  3.8154  1000.97    83.791   992.969    131.840  1006.40    108.529  89.455  6.1106  90.401  4.9668  -0.9456177     7.874575 
1 1 1 -15 -22 39 o 72.076  3.8639  637.091    67.328   781.365    109.945  550.525    85.164   79.353  5.7492  66.657  5.3096  12.69553       7.825945 
1 1 1 -15 -22 40 o 86.375  3.8440  913.005    80.562   940.687    126.520  894.126    104.481  86.932  6.0355  85.058  5.0857  1.874023       7.892558 
1 1 1 -15 -22 41 o 115.175 4.0374  1626.13    112.831  1544.39    174.626  1684.71    147.834  111.159 6.5028  116.829 5.2150  -5.670692      8.335622 
1 1 1 -15 -22 42 o 144.179 4.2724  2553.79    149.464  2704.13    228.625  2441.59    197.517  147.226 6.3999  140.239 5.8046  6.986679       8.640172 
1 1 1 -15 -22 43 o 36.024  7.5490  169.626    63.873   212.379    107.386  146.220    79.457   39.470  10.868  33.153  9.4292  6.316345       14.38844 
1 1 1 -15 -22 44 o 47.151  6.4546  283.167    71.908   284.442    115.162  282.352    92.059   45.638  10.602  46.323  8.5039  -0.6843147     13.59121 
1 1 1 -15 -22 45 o 23.479  7.9759  66.562     54.265   95.952     91.865   50.811     67.252   28.570  10.326  22.865  8.7227  5.704075       13.51698 
1 1 1 -15 -22 46 o 34.746  6.1715  155.337    50.125   93.255     91.838   181.677    59.821   28.295  10.309  37.429  6.8388  -9.134480      12.37139 
1 1 1 -15 -22 47 o 30.325  6.5767  119.961    46.998   76.224     90.320   136.201    55.036   26.769  10.133  32.181  7.2253  -5.411570      12.44542 
1 1 1 -15 -22 48 o 26.042  7.0752  88.953     45.870   103.946    92.419   84.053     52.837   29.138  10.377  25.485  7.8079  3.653275       12.98628 
1 1 1 -15 -22 49 o 62.152  6.0629  489.391    90.268   664.110    169.690  420.436    106.603  69.961  10.305  56.702  7.9682  13.25870       13.02629 
1 1 1 -15 -22 50 o 61.855  6.1532  486.357    91.125   507.578    173.041  478.214    107.192  59.402  12.406  60.712  7.4317  -1.310757      14.46157 
1 1 1 -15 -22 51 o 73.718  6.0751  690.077    107.699  627.326    204.885  714.037    126.601  65.036  13.428  74.402  7.0989  -9.366348      15.18936 
1 1 1 -15 -22 52 o 28.619  7.0622  109.150    48.741   73.642     98.585   120.637    56.073   26.699  10.460  29.945  7.6803  -3.245499      12.97668 
1 1 1 -15 -22 53 o 22.232  7.4285  62.124     47.065   75.924     95.500   57.697     54.089   26.539  10.323  22.138  7.9328  4.400602       13.01890 
1 1 1 -15 -22 54 o 34.884  6.7550  161.365    55.110   241.492    105.430  131.241    64.645   40.825  10.563  30.869  8.4046  9.955875       13.49850 
1 1 1 -15 -22 55 f 73.006  4.8588  671.914    85.577   590.406    145.083  715.404    105.976  65.163  9.4517  74.689  5.8957  -9.525719      11.13978 
1 1 1 -15 -22 56 o 17.588  7.5718  4.9939     58.494   81.564     125.269  -16.3565   66.148   28.080  11.512  17.194  7.6986  10.88551       13.84929 
1 1 1 -15 -22 57 o 34.729  8.1781  168.214    67.776   316.309    138.052  121.184    77.797   44.728  12.325  29.301  9.5400  15.42777       15.58603 
1 1 1 -15 -22 58 o 41.163  8.9896  241.045    87.271   380.858    149.925  169.393    107.328  48.807  12.580  33.540  11.218  15.26637       16.85545 
1 1 1 -15 -22 59 o 65.483  7.2988  574.130    113.996  736.044    201.978  498.442    138.093  68.484  12.620  58.626  10.071  9.858006       16.14556 
1 1 1 -15 -22 60 o 26.675  8.5012  98.328     62.007   -12.9542   132.676  129.428    70.139   23.726  10.738  30.139  8.9446  -6.413492      13.97550 
1 1 1 -15 -22 61 o 55.629  6.1136  403.653    81.159   359.850    161.442  418.467    93.885   46.419  13.514  56.019  7.0642  -9.600372      15.24903 
1 1 1 -15 -22 62 o 53.968  6.2078  381.311    79.810   271.759    160.653  417.207    91.960   40.074  13.723  56.003  6.9142  -15.92933      15.36641 
1 1 1 -15 -22 63 o 60.054  9.2324  512.566    130.221  470.537    329.679  520.336    141.748  44.706  18.537  59.633  10.161  -14.92631      21.13905 
1 1 1 -15 -22 64 o 38.181  11.761  235.064    119.699  627.900    345.416  181.452    127.605  48.602  19.408  33.768  12.175  14.83329       22.91066 
1 1 1 -15 -21 1  o 125.065 3.9359  1907.73    119.439  1766.71    185.743  2007.14    155.958  119.664 6.4206  128.070 5.0187  -8.406311      8.149319 
1 1 1 -15 -21 2  o 105.142 3.6239  1346.70    92.453   1562.36    145.816  1201.72    119.556  112.980 5.3191  99.016  4.9923  13.96467       7.294935 
1 1 1 -15 -21 3  o 122.319 3.8720  1823.02    114.919  1755.71    178.084  1871.04    150.433  119.494 6.1630  123.741 5.0103  -4.246895      7.942681 
1 1 1 -15 -21 4  o 113.627 5.1801  1577.57    142.816  1688.74    221.184  1498.08    187.031  116.776 7.8518  110.183 7.0324  6.592392       10.54067 
1 1 1 -15 -21 5  o 128.012 5.4320  2002.75    168.722  2058.81    258.745  1961.28    222.545  128.904 8.3169  126.104 7.3044  2.799927       11.06915 
1 1 1 -15 -21 6  o 159.801 6.0284  3124.79    233.748  3118.16    351.792  3130.03    312.776  158.489 9.1873  159.184 8.1249  -0.6945801     12.26466 
1 1 1 -15 -21 7  o 88.763  5.0143  964.333    107.555  871.697    169.151  1027.21    139.354  83.687  8.4456  91.390  6.3231  -7.703110      10.55039 
1 1 1 -15 -21 8  o 96.565  3.6496  1134.59    85.514   1016.35    132.387  1219.23    112.018  90.973  6.0317  100.016 4.6159  -9.043304      7.595245 
1 1 1 -15 -21 9  o 229.171 5.3894  6410.75    299.682  5766.25    437.638  6979.80    411.224  216.430 8.3336  238.590 7.1033  -22.16010      10.95018 
1 1 1 -15 -21 10 o 110.343 3.7511  1481.41    100.429  1326.74    152.311  1600.39    133.582  104.009 6.0615  114.582 4.8047  -10.57292      7.734815 
1 1 1 -15 -21 11 o 136.125 3.9953  2255.30    131.963  2300.27    199.461  2220.30    175.983  137.202 5.9915  134.890 5.3769  2.311813       8.050382 
1 1 1 -15 -21 12 o 192.648 4.7679  4522.83    222.871  4314.07    328.293  4701.29    303.537  187.609 7.2118  196.065 6.3804  -8.455750      9.629082 
1 1 1 -15 -21 13 o 106.523 5.8156  1389.77    149.747  1389.77    149.747  0.0000     0.0000   106.523 5.8156  ?       ?       0.000000       5.815628 
1 1 1 -15 -21 14 o 73.433  5.9052  662.761    104.327  662.761    104.327  0.0000     0.0000   73.433  5.9052  ?       ?       0.000000       5.905180 
1 1 1 -15 -21 15 o 114.126 5.8753  1594.73    162.146  1594.73    162.146  0.0000     0.0000   114.126 5.8753  ?       ?       0.000000       5.875332 
1 1 1 -15 -21 16 o 49.640  4.3038  302.234    51.325   397.967    79.600   234.111    67.148   56.793  5.8606  43.266  6.6055  13.52656       8.830653 
1 1 1 -15 -21 17 o 183.845 4.5405  4116.51    202.545  4566.60    299.883  3738.95    274.659  193.265 6.3949  174.860 6.4735  18.40495       9.099512 
1 1 1 -15 -21 18 o 38.964  4.4385  187.245    41.214   310.757    75.094   134.004    49.303   50.033  6.3270  32.544  6.4715  17.48936       9.050524 
1 1 1 -15 -21 19 o 180.772 4.5307  3979.99    198.729  4269.64    294.397  3737.51    269.360  186.854 6.4933  174.853 6.3489  12.00085       9.081365 
1 1 1 -15 -21 20 o 52.396  3.9360  335.920    49.674   526.875    88.178   247.149    60.122   65.470  5.6049  44.646  5.6784  20.82339       7.978618 
1 1 1 -15 -21 21 o 112.416 5.3721  1541.61    146.533  1764.54    225.704  1379.18    192.656  119.658 7.8168  105.786 7.5554  13.87248       10.87133 
1 1 1 -15 -21 22 o 74.796  5.3542  685.898    96.528   602.699    160.072  733.440    121.004  69.198  9.8081  77.169  6.5235  -7.970245      11.77947 
1 1 1 -15 -21 23 o 115.399 5.4224  1624.86    151.830  1615.81    232.275  1631.61    200.625  114.320 8.4333  115.168 7.2159  -0.8483429     11.09904 
1 1 1 -15 -21 24 o 187.109 4.6389  4265.45    210.607  4882.58    313.448  3757.56    284.357  199.790 6.4659  175.218 6.6884  24.57263       9.302806 
1 1 1 -15 -21 25 o 112.050 4.9708  1530.76    135.146  0.0000     0.0000   1530.76    135.146  ?       ?       112.050 4.9708  0.000000       4.970783 
1 1 1 -15 -21 26 o 114.094 5.0245  1587.45    139.097  0.0000     0.0000   1587.45    139.097  ?       ?       114.094 5.0245  0.000000       5.024470 
1 1 1 -15 -21 27 o 226.497 7.2869  6293.38    400.471  0.0000     0.0000   6293.38    400.471  ?       ?       226.497 7.2869  0.000000       7.286938 
1 1 1 -15 -21 28 o 95.165  4.0239  1102.58    92.915   1253.85    161.166  1027.27    113.716  100.973 6.6147  91.615  5.1363  9.357941       8.374721 
1 1 1 -15 -21 29 o 89.624  3.6868  977.483    80.175   1026.96    124.149  942.089    105.008  91.510  5.6184  87.741  4.9526  3.769386       7.489697 
1 1 1 -15 -21 30 o 153.822 6.1138  2895.93    228.188  2853.11    349.422  2927.77    301.309  151.446 9.5579  153.956 8.0943  -2.510406      12.52484 
1 1 1 -15 -21 31 o 129.664 5.6870  2056.19    178.923  2161.68    280.368  1983.71    232.398  131.936 8.8085  126.746 7.5917  5.190506       11.62859 
1 1 1 -15 -21 32 o 115.142 5.5632  1621.66    155.427  1651.67    245.893  1601.70    200.578  115.162 8.8680  113.874 7.2977  1.288300       11.48471 
1 1 1 -15 -21 33 o 121.820 3.9484  1808.46    116.709  1795.07    177.543  1818.65    154.872  121.007 6.0469  121.958 5.2336  -0.9511185     7.997185 
1 1 1 -15 -21 34 o 89.579  3.7826  977.885    82.217   1051.40    128.805  927.340    106.805  92.437  5.7717  86.931  5.0857  5.505531       7.692628 
1 1 1 -15 -21 35 o 120.412 3.9860  1768.63    116.460  1699.99    178.118  1819.89    153.917  117.422 6.2744  121.912 5.2033  -4.489700      8.151192 
1 1 1 -15 -21 36 o 36.580  4.9741  166.780    43.005   177.478    72.916   161.074    53.253   37.066  8.3123  35.646  6.3919  1.420868       10.48576 
1 1 1 -15 -21 37 o 111.067 3.9022  1506.11    105.162  1523.10    161.413  1493.59    138.619  111.056 6.0125  110.340 5.1776  0.7162094      7.934577 
1 1 1 -15 -21 38 o 19.992  6.5990  47.359     37.177   37.570     64.161   52.306     45.615   21.651  8.4503  21.348  7.3124  0.3028870      11.17488 
1 1 1 -15 -21 39 o 106.711 3.9185  1392.24    101.460  1588.73    158.377  1255.48    132.135  113.341 5.7781  100.841 5.4202  12.50006       7.922432 
1 1 1 -15 -21 40 o 95.320  3.9090  1111.68    90.410   1051.94    143.143  1151.33    116.614  91.844  6.4645  96.625  4.9909  -4.781776      8.166985 
1 1 1 -15 -21 41 o 58.252  4.1869  418.128    58.783   345.149    97.599   459.672    73.638   51.798  8.0250  60.890  5.0292  -9.091358      9.470677 
1 1 1 -15 -21 42 o 118.488 4.0767  1721.93    117.206  1684.03    181.812  1748.89    153.316  116.053 6.4825  118.962 5.3115  -2.909492      8.380610 
1 1 1 -15 -21 43 f 117.123 5.7746  1703.71    164.108  1739.59    245.107  1674.56    220.938  116.346 8.7464  114.670 7.9906  1.676094       11.84692 
1 1 1 -15 -21 44 o 62.989  5.8744  497.871    88.747   473.024    138.784  515.060    115.432  59.620  9.9439  63.363  7.6638  -3.743458      12.55453 
1 1 1 -15 -21 45 o 48.562  6.5857  300.807    75.599   320.970    124.094  288.907    95.332   48.401  10.836  46.760  8.7232  1.641071       13.91121 
1 1 1 -15 -21 46 o 48.184  5.4069  291.867    62.124   226.099    145.856  306.442    68.663   40.243  13.061  49.239  5.8623  -8.996502      14.31593 
1 1 1 -15 -21 47 f 62.596  4.4362  485.732    66.942   415.975    117.187  519.521    81.559   56.120  8.9032  64.475  5.2592  -8.355095      10.34054 
1 1 1 -15 -21 48 o 57.609  4.6319  412.864    64.199   296.879    113.354  467.637    77.897   46.537  10.310  61.106  5.3065  -14.56889      11.59550 
1 1 1 -15 -21 49 o 74.494  5.9762  699.837    107.113  767.524    193.661  670.005    128.569  74.883  10.985  72.131  7.4535  2.752510       13.27500 
1 1 1 -15 -21 50 o 36.988  7.8670  181.957    68.433   220.516    139.377  169.709    78.553   39.307  12.768  35.317  9.1077  3.990791       15.68328 
1 1 1 -15 -21 51 o 89.985  5.9383  1023.24    128.929  1138.62    236.158  974.246    153.886  90.854  10.932  86.871  7.3702  3.983025       13.18446 
1 1 1 -15 -21 52 f 50.288  5.0667  318.782    60.981   386.573    117.288  293.667    71.389   53.212  9.4292  47.756  6.3157  5.455490       11.34894 
1 1 1 -15 -21 53 o 45.978  6.0281  271.971    65.630   248.877    115.334  283.030    79.812   41.384  11.209  46.309  7.3483  -4.925301      13.40285 
1 1 1 -15 -21 54 o 47.769  5.9840  293.973    67.837   276.765    119.928  302.068    82.261   43.381  11.286  47.767  7.3317  -4.385597      13.45828 
1 1 1 -15 -21 55 o 82.902  4.6876  862.816    93.907   833.684    161.097  877.810    115.574  78.477  8.6011  82.904  5.7816  -4.426926      10.36372 
1 1 1 -15 -21 56 o 54.730  5.8926  386.617    77.019   441.311    149.373  366.810    89.890   54.173  11.706  52.516  7.2474  1.657188       13.76754 
1 1 1 -15 -21 57 o 57.583  5.8992  428.904    81.259   326.016    152.233  469.900    96.094   44.801  13.146  59.743  6.7471  -14.94183      14.77632 
1 1 1 -15 -21 58 o 43.624  8.4024  264.581    85.713   145.081    146.704  326.514    105.614  32.293  12.726  47.828  9.4359  -15.53532      15.84233 
1 1 1 -15 -21 59 o 41.663  9.4154  249.795    92.940   239.261    183.693  253.419    107.749  37.866  14.423  41.057  10.705  -3.191040      17.96187 
1 1 1 -15 -21 60 o 29.034  8.8495  118.845    67.986   279.621    142.259  71.256     77.397   41.494  12.828  24.565  9.3607  16.92952       15.88035 
1 1 1 -15 -21 61 o 32.281  8.9024  148.423    71.988   275.807    155.442  113.642    81.223   40.772  13.495  28.571  9.7577  12.20183       16.65334 
1 1 1 -15 -21 62 o 37.618  8.1889  197.261    72.625   215.230    168.103  193.138    80.528   36.527  13.825  36.705  9.0896  -0.1780891     16.54546 
1 1 1 -15 -21 63 o 56.469  10.258  467.666    135.378  647.622    384.630  442.220    144.633  49.219  20.175  53.738  11.443  -4.519077      23.19446 
1 1 1 -15 -21 64 o 30.584  11.387  137.082    113.069  -76.7078   367.452  159.442    118.835  31.764  15.394  32.269  11.732  -0.5047951     19.35440 
1 1 1 -15 -20 1  o 100.830 5.1116  1245.88    124.648  783.405    250.199  1398.57    143.759  77.243  13.859  106.747 5.5696  -29.50458      14.93598 
1 1 1 -15 -20 2  o 63.727  3.5412  495.850    54.540   460.287    90.165   516.371    68.491   60.983  6.1787  64.930  4.3728  -3.946877      7.569545 
1 1 1 -15 -20 3  o 211.703 5.0819  5472.12    261.045  5363.90    386.756  5562.69    353.791  208.767 7.6350  212.897 6.8488  -4.129364      10.25667 
1 1 1 -15 -20 4  o 19.369  5.5549  46.886     27.461   100.074    48.381   21.607     33.354   28.021  7.1057  16.064  6.1394  11.95611       9.390591 
1 1 1 -15 -20 5  o 83.356  4.9560  850.491    99.787   811.765    158.299  876.026    128.543  80.807  8.1866  84.372  6.3250  -3.564713      10.34529 
1 1 1 -15 -20 6  o 115.696 5.3365  1633.75    149.811  1514.10    231.491  1719.97    196.510  110.506 8.7039  118.282 6.8767  -7.776901      11.09269 
1 1 1 -15 -20 7  o 125.992 5.3704  1937.18    164.178  2202.67    252.267  1742.10    216.240  133.693 7.8105  118.913 7.5334  14.77937       10.85157 
1 1 1 -15 -20 8  f 216.231 5.1156  5701.85    268.399  5504.79    393.395  5873.46    367.112  211.785 7.6554  218.996 6.9088  -7.210434      10.31195 
1 1 1 -15 -20 9  o 145.842 4.0808  2588.80    144.410  2587.57    215.855  2589.80    194.295  145.518 6.1134  145.680 5.4966  -0.1626587     8.221119 
1 1 1 -15 -20 10 o 188.187 4.7072  4314.53    214.942  3951.71    316.316  4625.77    292.971  179.584 7.2592  194.557 6.2061  -14.97229      9.550456 
1 1 1 -15 -20 11 o 155.915 4.2119  2958.99    159.341  2866.39    236.859  3035.54    215.356  153.131 6.3747  157.715 5.6276  -4.584366      8.503346 
1 1 1 -15 -20 12 o 167.828 6.5768  3444.35    267.820  3444.35    267.820  0.0000     0.0000   167.828 6.5768  ?       ?       0.000000       6.576775 
1 1 1 -15 -20 13 o 78.053  5.8419  747.800    109.837  747.800    109.837  0.0000     0.0000   78.053  5.8419  ?       ?       0.000000       5.841886 
1 1 1 -15 -20 14 o 100.542 5.7489  1237.66    139.664  1237.66    139.664  0.0000     0.0000   100.542 5.7489  ?       ?       0.000000       5.748856 
1 1 1 -15 -20 15 o 134.880 3.9804  2213.42    130.267  2397.49    195.291  2065.87    174.851  140.161 5.7424  130.134 5.5375  10.02711       7.977366 
1 1 1 -15 -20 16 f 156.273 4.2176  2972.22    159.924  3028.09    239.285  2927.11    214.995  157.434 6.2640  154.876 5.7211  2.557816       8.483465 
1 1 1 -15 -20 17 o 46.549  3.8910  265.423    43.545   217.080    78.267   287.096    52.405   41.366  8.0876  48.349  4.5195  -6.982597      9.264701 
1 1 1 -15 -20 18 o 50.788  3.8090  315.496    46.597   153.692    81.295   394.666    56.866   34.743  9.4107  56.798  4.1551  -22.05449      10.28718 
1 1 1 -15 -20 19 f 156.421 4.2012  2977.78    159.452  3268.91    238.898  2743.90    214.127  163.618 6.0175  149.925 5.8862  13.69313       8.417676 
1 1 1 -15 -20 20 o 138.533 3.9804  2334.91    133.796  2751.00    203.503  2018.11    177.570  150.164 5.5852  128.602 5.6906  21.56235       7.973562 
1 1 1 -15 -20 21 o 99.920  5.2693  1220.67    127.300  1145.93    196.508  1274.72    167.104  96.201  8.5062  101.858 6.8003  -5.657532      10.89036 
1 1 1 -15 -20 22 o 72.124  5.6681  638.625    98.394   940.111    172.145  492.337    119.913  87.118  8.2416  62.841  8.0493  24.27751       11.52024 
1 1 1 -15 -20 23 o 175.814 6.3959  3778.24    272.847  4476.32    405.355  3199.96    368.938  190.748 8.7581  160.815 9.4972  29.93265       12.91902 
1 1 1 -15 -20 24 o 154.143 8.2464  2927.01    307.308  0.0000     0.0000   2927.01    307.308  ?       ?       154.143 8.2464  0.000000       8.246350 
1 1 1 -15 -20 25 o 168.353 5.9510  3461.55    243.092  0.0000     0.0000   3461.55    243.092  ?       ?       168.353 5.9510  0.000000       5.950952 
1 1 1 -15 -20 26 o 130.938 5.2803  2091.17    167.761  0.0000     0.0000   2091.17    167.761  ?       ?       130.938 5.2803  0.000000       5.280348 
1 1 1 -15 -20 27 o 214.426 5.0590  5606.34    263.213  6406.08    388.421  4927.25    357.925  228.686 7.0000  200.459 7.3587  28.22624       10.15633 
1 1 1 -15 -20 28 o 127.428 3.9238  1976.15    121.321  2298.87    183.649  1726.26    161.606  137.230 5.5154  118.906 5.6013  18.32428       7.860901 
1 1 1 -15 -20 29 o 107.003 3.8112  1393.34    98.952   1418.82    152.143  1374.66    130.268  107.599 5.8494  106.160 5.0572  1.438889       7.732500 
1 1 1 -15 -20 30 o 86.607  5.5234  919.748    115.465  772.811    188.951  1007.32    145.869  78.312  10.185  90.434  6.6952  -12.12229      12.18845 
1 1 1 -15 -20 31 o 22.079  8.1227  47.936     57.209   113.673    105.296  20.403     68.145   31.789  11.098  20.852  8.5133  10.93714       13.98695 
1 1 1 -15 -20 32 o 208.934 7.1574  5363.03    362.849  5556.32    542.533  5206.61    488.069  210.834 10.640  204.737 9.8247  6.097046       14.48195 
1 1 1 -15 -20 33 o 57.606  4.0365  406.291    56.064   459.314    91.815   374.767    70.795   60.894  6.3055  55.115  5.3617  5.779057       8.276888 
1 1 1 -15 -20 34 o 78.294  3.8479  746.881    73.100   763.801    115.041  735.422    94.669   78.700  6.0713  77.408  5.0683  1.291710       7.908771 
1 1 1 -15 -20 35 o 97.322  3.8131  1154.43    90.044   1195.07    140.160  1125.87    117.500  98.535  5.8893  95.809  5.0724  2.725739       7.772586 
1 1 1 -15 -20 36 o 79.873  3.8147  777.963    73.931   774.513    117.196  780.243    95.282   79.144  6.1511  79.701  4.9515  -0.5570755     7.896437 
1 1 1 -15 -20 37 o 26.568  6.4036  90.427     40.796   70.464     69.057   101.129    50.561   25.297  8.9742  28.066  7.3408  -2.768991      11.59410 
1 1 1 -15 -20 38 o 51.156  4.2743  322.181    52.569   352.654    85.480   303.646    66.666   52.978  6.8072  49.376  5.6671  3.601616       8.857488 
1 1 1 -15 -20 39 o 49.209  4.4690  298.964    52.779   279.061    63.981   341.350    93.371   47.270  5.6927  51.811  7.6579  -4.540905      9.542058 
1 1 1 -15 -20 40 o 135.166 3.9581  2234.86    129.814  2192.49    186.646  2274.56    180.670  133.263 5.7723  135.850 5.4811  -2.586975      7.959956 
1 1 1 -15 -20 41 o 54.586  3.7792  366.184    49.747   366.355    70.000   366.009    70.712   54.243  5.3899  54.202  5.4506  0.4101944E-01  7.665511 
1 1 1 -15 -20 42 o 13.912  5.5256  12.975     27.862   35.535     37.514   -14.7818   41.611   18.310  6.6014  13.807  6.1495  4.502283       9.021942 
1 1 1 -15 -20 43 o 53.378  4.8553  353.989    62.197   349.487    78.972   361.344    100.935  52.615  6.3118  52.864  8.1293  -0.2496223     10.29196 
1 1 1 -15 -20 44 o 53.618  4.7916  357.321    61.682   359.454    77.407   353.611    102.094  53.396  6.0832  52.119  8.3554  1.277115       10.33527 
1 1 1 -15 -20 45 o 36.087  5.7826  165.804    48.924   154.913    59.632   188.229    85.567   34.414  7.3639  37.418  9.4285  -3.003895      11.96338 
1 1 1 -15 -20 46 o 49.818  4.1766  307.408    50.020   376.482    69.869   234.777    71.644   54.841  5.3175  42.593  7.1882  12.24749       8.941214 
1 1 1 -15 -20 47 o 33.681  5.3769  144.196    42.465   122.191    59.284   167.383    60.855   30.384  7.9498  35.779  7.2580  -5.395233      10.76462 
1 1 1 -15 -20 48 o 78.057  3.7720  748.358    71.441   767.604    101.406  729.393    100.665  78.396  5.3632  76.368  5.4687  2.028236       7.659675 
1 1 1 -15 -20 49 o 82.064  5.7895  845.857    114.542  1024.69    206.975  766.911    137.521  87.645  9.9065  77.279  7.4254  10.36575       12.38041 
1 1 1 -15 -20 50 o 33.506  8.2660  150.559    66.787   169.573    147.164  145.627    74.949   35.872  13.053  32.806  9.0979  3.066105       15.91097 
1 1 1 -15 -20 51 o 81.217  6.6072  841.284    129.075  865.381    214.700  827.645    161.524  78.643  11.600  79.297  8.5291  -0.6540451     14.39792 
1 1 1 -15 -20 52 o 56.660  4.4332  400.367    60.462   295.019    80.613   535.839    91.415   47.494  7.2229  64.979  5.8611  -17.48503      9.301753 
1 1 1 -15 -20 53 o 26.998  6.5066  96.466     42.123   67.593     52.665   147.733    70.177   23.237  7.8577  32.820  8.6794  -9.582304      11.70789 
1 1 1 -15 -20 54 o 42.597  4.9998  230.155    50.695   192.398    64.861   289.434    81.269   37.982  7.3031  46.730  7.4152  -8.747749      10.40773 
1 1 1 -15 -20 55 o 44.740  4.5252  252.201    48.449   239.186    61.059   274.326    79.609   42.959  6.0233  45.316  7.5026  -2.357189      9.621312 
1 1 1 -15 -20 56 o 14.223  6.6573  -48.2993   57.425   12.275     118.271  -66.9842   65.687   24.065  10.557  14.615  6.9258  9.450190       12.62615 
1 1 1 -15 -20 57 o 16.039  7.1528  -13.3154   56.499   31.293     128.493  -24.0071   62.907   25.587  11.118  16.298  7.3837  9.288691       13.34676 
1 1 1 -15 -20 58 o 82.067  10.106  963.013    196.994  963.013    196.994  0.0000     0.0000   82.067  10.106  ?       ?       0.000000       10.10635 
1 1 1 -15 -20 59 o 50.231  8.9157  353.460    104.686  342.491    193.074  358.028    124.590  43.901  15.044  49.102  10.755  -5.200504      18.49305 
1 1 1 -15 -20 60 o 34.341  8.4843  165.894    70.284   236.772    150.939  146.271    79.420   38.231  13.290  31.875  9.5313  6.356092       16.35482 
1 1 1 -15 -20 61 o 29.376  8.5833  120.977    65.020   224.891    147.751  96.020     72.408   37.514  13.143  26.711  9.2097  10.80261       16.04873 
1 1 1 -15 -20 62 o 22.453  9.8282  11.239     102.006  0.0000     0.0000   11.239     102.006  ?       ?       22.453  9.8282  0.000000       9.828184 
1 1 1 -15 -20 63 o 28.722  10.896  110.174    104.581  147.603    359.042  106.704    109.322  36.350  16.891  28.626  11.070  7.723188       20.19550 
1 1 1 -15 -20 64 o 19.768  8.9937  -24.8962   94.572   -99.5340   357.246  -19.2713   98.071   31.263  15.157  20.364  9.2231  10.89905       17.74298 
1 1 1 -15 -19 1  o 8.0668  3.8038  -21.8843   19.362   4.2519     35.807   -32.6829   23.016   14.484  6.0659  8.3249  3.9878  6.159227       7.259370 
1 1 1 -15 -19 2  o 85.612  3.5777  891.847    74.319   810.395    119.437  943.309    94.936   81.155  6.1102  87.863  4.4679  -6.707420      7.569449 
1 1 1 -15 -19 3  o 166.295 4.4329  3369.41    178.867  3144.84    269.223  3546.87    239.322  160.164 6.9276  170.361 5.7896  -10.19679      9.028376 
1 1 1 -15 -19 4  o 109.839 3.7680  1468.00    100.421  1315.35    155.621  1576.92    131.453  103.526 6.2241  113.741 4.7631  -10.21489      7.837554 
1 1 1 -15 -19 5  f 164.638 5.0834  3305.45    203.072  3446.66    259.649  3083.02    325.880  167.872 6.3745  158.047 8.5294  9.824112       10.64822 
1 1 1 -15 -19 6  o 115.973 5.3733  1640.83    151.205  1510.78    234.173  1733.82    198.018  110.432 8.8127  118.807 6.8988  -8.374565      11.19186 
1 1 1 -15 -19 7  o 57.746  5.1707  409.792    71.682   266.467    117.711  494.271    90.372   45.481  10.823  63.345  5.9494  -17.86372      12.35056 
1 1 1 -15 -19 8  o 98.767  5.2762  1192.84    125.986  870.393    196.976  1416.08    163.894  83.395  9.9296  107.465 6.3131  -24.06939      11.76660 
1 1 1 -15 -19 9  o 71.141  3.5256  615.381    60.857   485.213    94.424   707.872    79.594   62.711  6.2903  76.135  4.3264  -13.42482      7.634491 
1 1 1 -15 -19 10 o 75.780  3.5146  698.225    64.623   675.524    99.753   714.643    84.832   74.209  5.5808  76.471  4.5932  -2.262009      7.227956 
1 1 1 -15 -19 11 o 148.422 6.1108  2690.06    220.070  2690.06    220.070  0.0000     0.0000   148.422 6.1108  ?       ?       0.000000       6.110803 
1 1 1 -15 -19 12 o 83.950  5.4677  863.052    110.768  863.052    110.768  0.0000     0.0000   83.950  5.4677  ?       ?       0.000000       5.467686 
1 1 1 -15 -19 13 o 115.929 5.8467  1644.20    163.934  1644.20    163.934  0.0000     0.0000   115.929 5.8467  ?       ?       0.000000       5.846716 
1 1 1 -15 -19 14 o 202.443 4.8875  4992.47    240.081  4965.73    351.902  5015.75    328.370  201.421 7.2004  202.557 6.6812  -1.136063      9.822580 
1 1 1 -15 -19 15 o 160.649 4.2233  3140.58    164.624  3548.54    245.651  2808.00    221.798  170.512 5.9374  151.666 6.0270  18.84581       8.460396 
1 1 1 -15 -19 16 o 99.363  3.6445  1200.50    87.868   1298.69    138.321  1134.07    113.772  103.046 5.5527  96.366  4.8817  6.679970       7.393415 
1 1 1 -15 -19 17 o 115.498 3.7526  1622.27    105.165  1987.20    161.934  1356.09    138.298  127.687 5.2267  105.323 5.4301  22.36387       7.536873 
1 1 1 -15 -19 18 o 102.990 3.6888  1289.81    92.182   1363.40    144.499  1239.31    119.705  105.573 5.6615  100.865 4.8911  4.707611       7.481692 
1 1 1 -15 -19 19 o 158.939 4.2419  3074.14    163.590  3337.19    244.603  2861.26    220.044  165.330 6.0974  153.115 5.9228  12.21526       8.500506 
1 1 1 -15 -19 20 f 193.175 4.7236  4544.54    221.403  5175.56    327.894  4015.74    300.163  205.786 6.5668  181.214 6.8265  24.57196       9.472304 
1 1 1 -15 -19 21 o 111.938 4.6577  1525.84    126.507  1709.15    167.152  1280.05    193.555  118.348 5.8208  101.878 7.8915  16.47000       9.806042 
1 1 1 -15 -19 22 o 87.209  5.5928  931.439    117.723  1238.40    197.887  763.300    146.458  100.124 8.2179  78.535  7.7884  21.58949       11.32228 
1 1 1 -15 -19 23 o 147.658 8.0475  2682.71    287.236  0.0000     0.0000   2682.71    287.236  ?       ?       147.658 8.0475  0.000000       8.047459 
1 1 1 -15 -19 24 o 70.210  6.9574  608.900    116.963  0.0000     0.0000   608.900    116.963  ?       ?       70.210  6.9574  0.000000       6.957366 
1 1 1 -15 -19 25 o 75.067  4.7323  689.079    85.755   0.0000     0.0000   689.079    85.755   ?       ?       75.067  4.7323  0.000000       4.732312 
1 1 1 -15 -19 26 o 95.483  3.7710  1108.95    87.366   1094.92    140.019  1117.90    111.799  94.480  6.1411  95.667  4.8319  -1.187424      7.814102 
1 1 1 -15 -19 27 o 38.532  4.4783  183.212    41.088   190.295    66.325   178.801    52.342   38.792  7.3148  37.827  5.8948  0.9648285      9.394409 
1 1 1 -15 -19 28 o 114.222 3.8924  1587.44    107.878  1418.72    163.581  1717.30    143.507  107.550 6.2959  118.692 4.9830  -11.14249      8.029198 
1 1 1 -15 -19 29 o 154.352 4.2472  2900.78    159.066  3177.30    237.505  2675.87    214.201  161.241 6.0706  147.990 5.9652  13.25079       8.510937 
1 1 1 -15 -19 30 o 105.538 5.4672  1363.26    139.524  1398.72    222.733  1340.35    178.994  106.199 8.7207  104.329 7.1133  1.870148       11.25385 
1 1 1 -15 -19 31 f 163.350 6.3207  3265.41    250.523  3131.04    382.176  3366.65    331.740  158.642 9.9793  165.147 8.3052  -6.504700      12.98317 
1 1 1 -15 -19 32 o 84.861  5.4526  883.237    111.679  791.772    183.208  937.321    140.880  79.371  9.7158  87.194  6.7104  -7.822968      11.80789 
1 1 1 -15 -19 33 o 10.634  4.9401  -27.3783   30.669   -30.9182   35.440   -16.8223   61.200   11.474  5.3234  17.151  7.5570  -5.676853      9.243702 
1 1 1 -15 -19 34 o 64.296  3.6739  504.987    57.078   562.504    80.319   446.310    81.126   67.695  4.9236  60.140  5.6248  7.554741       7.475325 
1 1 1 -15 -19 35 o 63.052  3.6076  485.763    54.963   459.467    77.603   512.230    77.857   61.062  5.2900  64.546  5.0105  -3.483753      7.286221 
1 1 1 -15 -19 36 o 215.021 5.0981  5657.42    265.981  5627.54    380.406  5686.00    372.041  213.476 7.3440  214.684 7.1421  -1.208115      10.24423 
1 1 1 -15 -19 37 o 90.215  3.5306  991.933    77.285   950.943    110.383  1031.35    108.242  87.949  5.1957  91.673  4.8838  -3.723625      7.130692 
1 1 1 -15 -19 38 o 90.103  4.2053  992.078    91.939   949.553    111.804  1080.89    161.574  87.818  5.2714  93.143  7.2052  -5.324921      8.927641 
1 1 1 -15 -19 39 o 67.043  4.2154  551.834    68.224   529.638    82.948   598.247    119.946  65.457  5.2672  69.043  7.2691  -3.585724      8.976794 
1 1 1 -15 -19 40 o 43.861  4.0711  237.319    42.833   229.557    60.518   245.111    60.632   42.718  6.0045  44.219  5.7902  -1.501282      8.341445 
1 1 1 -15 -19 41 o 61.436  3.6402  462.865    54.021   406.868    76.854   517.552    75.950   57.151  5.6146  64.712  4.8728  -7.560848      7.434259 
1 1 1 -15 -19 42 f 51.241  3.8200  323.109    47.154   335.548    65.542   309.763    67.890   51.898  5.2783  49.726  5.7317  2.172295       7.791839 
1 1 1 -15 -19 43 o 76.420  4.7191  721.558    87.076   702.310    112.292  750.586    137.904  74.888  6.2365  76.922  7.4834  -2.033348      9.741410 
1 1 1 -15 -19 44 o 62.935  4.7251  490.761    71.629   416.188    91.099   611.520    115.927  57.320  6.6751  69.495  6.9688  -12.17533      9.649878 
1 1 1 -15 -19 45 o 46.598  5.0879  271.559    56.591   254.992    70.718   301.060    94.368   44.640  6.7388  47.951  8.4179  -3.310890      10.78294 
1 1 1 -15 -19 46 o 97.780  3.8117  1173.29    90.434   1165.09    128.935  1181.24    126.877  96.692  5.5185  97.421  5.3883  -0.7298203     7.712857 
1 1 1 -15 -19 47 o 17.767  6.3923  33.971     35.156   -0.9753    48.640   72.197     50.871   16.054  6.9081  23.987  7.7059  -7.933338      10.34903 
1 1 1 -15 -19 48 o 42.947  4.4795  229.917    45.992   228.078    64.371   231.834    65.736   42.170  6.4999  42.493  6.5890  -0.3226051     9.255464 
1 1 1 -15 -19 49 o 43.635  8.7312  253.932    89.216   406.522    154.559  177.686    109.255  53.599  12.163  36.023  11.259  17.57575       16.57451 
1 1 1 -15 -19 50 o 33.201  9.9713  149.475    86.782   130.559    138.319  161.756    111.446  33.083  12.536  34.567  11.426  -1.483570      16.96203 
1 1 1 -15 -19 51 o 73.201  6.7389  684.989    118.349  731.533    207.045  662.401    144.236  71.707  12.345  70.901  8.5571  0.8051071      15.02094 
1 1 1 -15 -19 52 o 64.932  4.1834  523.418    65.560   528.908    87.959   516.556    98.339   64.672  5.6624  63.518  6.4711  1.154118       8.598726 
1 1 1 -15 -19 53 o 18.340  6.5776  37.628     37.195   54.538     44.954   0.9227     66.231   21.186  7.2592  18.522  8.0152  2.664160       10.81386 
1 1 1 -15 -19 54 o 43.395  5.0542  238.838    52.221   220.609    67.272   266.479    82.837   40.881  7.0356  44.558  7.9536  -3.677586      10.61886 
1 1 1 -15 -19 55 f 112.746 4.1110  1578.49    112.462  1626.85    159.103  1530.21    158.989  113.033 5.8208  109.446 6.0099  3.586845       8.366680 
1 1 1 -15 -19 56 o 36.615  5.6791  173.851    48.821   156.719    61.080   204.157    81.240   33.928  7.6073  38.161  8.9317  -4.232742      11.73230 
1 1 1 -15 -19 57 o 35.938  6.6136  171.745    55.546   147.000    62.362   266.751    122.192  32.624  7.9506  41.799  11.625  -9.174229      14.08409 
1 1 1 -15 -19 58 o 57.485  6.3981  431.830    87.729   431.830    87.729   0.0000     0.0000   57.485  6.3981  ?       ?       0.000000       6.398112 
1 1 1 -15 -19 59 f 13.870  6.1402  -8.6750    40.871   -29.7001   46.234   66.509     87.430   13.355  6.1552  24.864  9.8158  -11.50862      11.58606 
1 1 1 -15 -19 60 o 29.599  8.8752  123.181    68.792   161.360    144.566  112.005    78.215   33.401  12.778  28.445  9.5760  4.956160       15.96768 
1 1 1 -15 -19 61 o 13.321  6.3212  -58.7222   55.092   134.345    137.879  -95.4027   60.098   31.623  12.375  12.637  6.1476  18.98523       13.81791 
1 1 1 -15 -19 62 o 18.929  8.8605  -68.2713   101.740  32.554     339.388  -78.2266   106.645  34.215  16.069  19.076  8.9744  15.13916       18.40506 
1 1 1 -15 -19 63 o 22.354  9.8291  9.0515     103.042  -367.0789  323.225  51.602     108.715  26.986  13.350  25.104  10.544  1.882725       17.01157 
1 1 1 -15 -19 64 o 61.284  9.2548  536.180    133.331  608.568    362.307  524.841    143.393  47.845  19.593  59.619  10.284  -11.77367      22.12783 
1 1 1 -15 -18 1  f 65.830  3.5194  528.669    56.012   421.957    91.986   591.549    70.612   58.332  6.6161  69.567  4.2029  -11.23544      7.838207 
1 1 1 -15 -18 2  f 151.234 4.2443  2785.17    155.749  2553.14    236.593  2962.62    206.905  144.387 6.7532  155.786 5.4737  -11.39827      8.692894 
1 1 1 -15 -18 3  o 151.566 4.2236  2796.81    155.326  2645.78    235.062  2913.87    206.942  147.047 6.5881  154.513 5.5197  -7.466125      8.594821 
1 1 1 -15 -18 4  o 191.600 4.7744  4472.99    221.963  4295.52    329.802  4619.93    300.102  187.232 7.2595  194.397 6.3623  -7.164841      9.652984 
1 1 1 -15 -18 5  o 79.097  3.5518  760.778    68.167   700.005    107.653  801.454    88.073   75.489  5.9249  81.004  4.4987  -5.514931      7.439287 
1 1 1 -15 -18 6  o 105.503 5.2252  1357.00    133.762  1301.49    209.274  1395.34    173.929  102.579 8.4841  106.600 6.7593  -4.021301      10.84753 
1 1 1 -15 -18 7  o 112.490 5.3791  1542.97    146.822  1282.47    227.484  1728.97    192.219  101.636 9.3286  118.728 6.6997  -17.09255      11.48513 
1 1 1 -15 -18 8  o 76.859  4.9830  722.716    92.427   765.003    147.501  695.377    118.598  78.616  7.8369  75.149  6.5702  3.467102       10.22669 
1 1 1 -15 -18 9  o 136.357 4.0138  2261.91    132.801  1919.62    198.822  2537.64    178.443  125.162 6.5697  144.309 5.0962  -19.14666      8.314599 
1 1 1 -15 -18 10 o 79.666  5.4181  777.312    104.111  777.312    104.111  0.0000     0.0000   79.666  5.4181  ?       ?       0.000000       5.418060 
1 1 1 -15 -18 11 o 87.943  5.4334  946.435    115.372  946.435    115.372  0.0000     0.0000   87.943  5.4334  ?       ?       0.000000       5.433398 
1 1 1 -15 -18 12 o 148.704 6.1084  2699.29    220.402  2699.29    220.402  0.0000     0.0000   148.704 6.1084  ?       ?       0.000000       6.108406 
1 1 1 -15 -18 13 o 56.844  3.8728  394.791    53.098   381.672    85.456   403.041    67.768   55.531  6.4631  57.315  4.9207  -1.783714      8.123107 
1 1 1 -15 -18 14 o 219.184 5.0569  5852.83    268.939  6524.42    393.349  5263.29    368.536  230.971 7.0187  207.377 7.3241  23.59404       10.14418 
1 1 1 -15 -18 15 o 182.536 9.1904  4108.02    405.745  4042.26    734.134  4136.94    486.861  177.551 17.259  182.535 11.044  -4.984421      20.49020 
1 1 1 -15 -18 16 o 251.904 5.5536  7737.20    339.445  8748.00    492.769  6824.42    468.265  267.270 7.5985  235.889 8.1813  31.38187       11.16559 
1 1 1 -15 -18 17 o 264.014 5.7667  8502.33    369.421  9526.36    535.288  7571.03    510.474  278.798 7.9129  248.361 8.4708  30.43707       11.59175 
1 1 1 -15 -18 18 o 111.575 3.8288  1513.94    103.657  2069.77    164.448  1147.50    133.523  130.328 5.2003  96.831  5.7082  33.49657       7.721824 
1 1 1 -15 -18 19 o 221.486 5.1601  5977.44    277.314  6514.33    406.020  5507.98    379.666  230.732 7.2523  212.131 7.3762  18.60042       10.34430 
1 1 1 -15 -18 20 o 113.756 6.1514  1584.22    169.158  0.0000     0.0000   1584.22    169.158  ?       ?       113.756 6.1514  0.000000       6.151355 
1 1 1 -15 -18 21 o 153.460 4.2588  2865.65    158.579  3175.49    240.133  2626.03    211.177  161.285 6.1361  146.699 5.9328  14.58629       8.535204 
1 1 1 -15 -18 22 f 88.485  6.9100  963.088    147.180  0.0000     0.0000   963.088    147.180  ?       ?       88.485  6.9100  0.000000       6.909963 
1 1 1 -15 -18 23 o 93.769  7.0131  1081.37    158.408  0.0000     0.0000   1081.37    158.408  ?       ?       93.769  7.0131  0.000000       7.013072 
1 1 1 -15 -18 24 f 134.647 7.8406  2229.69    255.050  0.0000     0.0000   2229.69    255.050  ?       ?       134.647 7.8406  0.000000       7.840576 
1 1 1 -15 -18 25 o 74.758  3.8513  681.542    69.623   793.007    115.442  617.822    87.283   80.387  5.9610  71.023  5.0988  9.363991       7.844195 
1 1 1 -15 -18 26 o 101.689 3.7529  1257.61    92.599   1077.59    141.839  1391.33    122.244  93.718  6.2737  106.883 4.7136  -13.16444      7.847100 
1 1 1 -15 -18 27 o 104.222 3.7632  1321.12    95.167   1375.07    145.818  1281.10    125.604  106.007 5.6899  102.527 5.0489  3.479408       7.607007 
1 1 1 -15 -18 28 o 78.299  3.7781  745.722    71.777   679.483    111.364  792.794    93.878   74.318  6.2333  80.523  4.8271  -6.204895      7.883807 
1 1 1 -15 -18 29 o 184.288 4.5879  4136.70    205.150  4123.69    293.326  4149.16    287.029  183.613 6.5839  184.216 6.4215  -0.6027985     9.196877 
1 1 1 -15 -18 30 f 143.917 6.0371  2530.81    210.816  2289.20    323.838  2708.52    277.725  135.722 9.9020  148.349 7.7424  -12.62772      12.56954 
1 1 1 -15 -18 31 o 151.201 6.0788  2794.74    223.015  2777.43    342.768  2807.46    293.673  149.637 9.4896  150.910 8.0492  -1.272064      12.44362 
1 1 1 -15 -18 32 o 65.382  5.7381  526.273    90.110   435.479    155.569  572.115    110.542  58.146  11.434  68.001  6.7904  -9.854488      13.29828 
1 1 1 -15 -18 33 o 69.233  5.7314  589.912    95.415   438.523    157.583  677.539    119.890  58.271  11.554  74.040  6.7476  -15.76893      13.37959 
1 1 1 -15 -18 34 o 89.769  3.5632  980.820    77.613   972.222    110.641  989.149    108.902  89.074  5.1410  89.870  5.0141  -0.7960892     7.181290 
1 1 1 -15 -18 35 o 79.863  3.5869  776.593    69.507   722.837    98.654   829.580    97.945   76.701  5.3341  82.266  4.9295  -5.565140      7.263083 
1 1 1 -15 -18 36 o 44.895  4.0910  247.814    44.075   168.262    61.141   333.883    63.596   36.338  7.1890  52.005  5.1058  -15.66705      8.817646 
1 1 1 -15 -18 37 o 68.526  3.5887  573.810    59.462   623.549    84.599   525.244    83.595   71.225  4.9254  65.265  5.3252  5.959671       7.253837 
1 1 1 -15 -18 38 o 89.544  4.2116  979.511    91.505   985.810    111.732  966.681    159.462  89.532  5.1651  87.989  7.5419  1.542984       9.141052 
1 1 1 -15 -18 39 o 97.481  3.9621  1160.75    93.715   1174.55    149.932  1151.90    120.058  97.336  6.3837  96.756  5.1322  0.5800934      8.190907 
1 1 1 -15 -18 40 o 41.223  4.1621  209.956    41.061   200.001    57.419   220.376    58.742   39.801  6.1434  41.867  5.9499  -2.066006      8.552336 
1 1 1 -15 -18 41 o 11.786  5.1574  -5.9883    28.067   4.1209     37.595   -18.7179   42.187   14.722  6.1932  13.649  6.1271  1.073492       8.711859 
1 1 1 -15 -18 42 o 50.412  3.9443  312.995    47.862   300.499    66.169   326.707    69.315   48.998  5.6704  51.112  5.6855  -2.113506      8.029808 
1 1 1 -15 -18 43 o 65.380  4.7762  528.861    75.245   454.262    94.748   656.257    123.816  60.021  6.6157  72.044  7.1785  -12.02346      9.762133 
1 1 1 -15 -18 44 o 84.033  4.8231  873.230    97.932   868.536    125.583  880.515    156.438  83.272  6.2612  83.116  7.8500  0.1561356      10.04112 
1 1 1 -15 -18 45 o 82.082  4.7950  833.922    95.085   834.354    122.302  833.261    151.184  81.554  6.2276  80.753  7.8136  0.8018265      9.991718 
1 1 1 -15 -18 46 o 113.440 3.9212  1579.80    107.932  1480.13    153.592  1677.03    151.702  108.885 5.8347  116.278 5.3769  -7.392715      7.934373 
1 1 1 -15 -18 47 o 91.768  3.8978  1034.13    86.790   958.118    120.020  1117.45    125.654  87.572  5.6790  94.686  5.4928  -7.113785      7.900795 
1 1 1 -15 -18 48 o 112.840 3.9649  1564.99    108.559  1517.89    152.612  1613.24    154.455  110.223 5.7260  113.841 5.5916  -3.618530      8.003366 
1 1 1 -15 -18 49 f 96.501  6.3087  1173.56    146.907  1186.28    249.014  1166.77    181.942  93.437  11.207  95.193  7.9498  -1.756470      13.74048 
1 1 1 -15 -18 50 f 41.217  9.2032  229.732    89.714   259.548    157.406  215.386    109.184  42.353  13.550  39.303  11.010  3.049671       17.45872 
1 1 1 -15 -18 51 o 31.901  9.8878  137.339    84.456   310.795    134.704  24.987     108.412  46.586  11.880  24.622  10.446  21.96341       15.81910 
1 1 1 -15 -18 52 o 15.596  6.3568  13.738     37.914   39.385     46.491   -37.1876   65.511   19.545  7.2970  16.191  7.4117  3.353724       10.40096 
1 1 1 -15 -18 53 o 49.483  4.6967  307.284    55.716   294.828    72.524   325.223    87.035   47.789  6.4166  49.742  7.4397  -1.952522      9.824518 
1 1 1 -15 -18 54 o 44.515  4.8112  250.086    51.139   245.461    65.885   257.095    81.108   43.452  6.4444  43.786  7.9261  -0.3340034     10.21534 
1 1 1 -15 -18 55 o 45.992  4.6972  266.863    51.683   298.317    65.831   216.329    83.441   48.217  5.7396  39.476  8.9213  8.740967       10.60815 
1 1 1 -15 -18 56 o 47.035  5.0261  281.146    56.472   247.193    74.348   327.448    86.823   42.971  7.3976  49.552  7.4518  -6.581760      10.50022 
1 1 1 -15 -18 57 o 15.692  6.6233  7.8741     43.235   11.911     47.829   -10.1617   101.098  16.720  7.0069  21.447  9.5663  -4.727270      11.85795 
1 1 1 -15 -18 58 o 26.959  7.4500  99.200     50.355   96.291     57.995   108.112    101.504  26.549  8.1879  28.771  10.774  -2.222496      13.53230 
1 1 1 -15 -18 59 o 44.966  5.8905  262.629    62.723   219.999    72.155   394.459    126.887  40.198  7.6777  52.076  10.406  -11.87734      12.93174 
1 1 1 -15 -18 60 o 47.956  5.0071  292.957    57.404   289.413    75.698   297.754    88.060   46.714  6.8848  46.693  8.0640  0.2120590E-01  10.60328 
1 1 1 -15 -18 61 o 36.225  5.9364  171.743    50.371   183.902    63.660   151.388    82.373   36.838  7.3793  32.461  9.7069  4.377354       12.19340 
1 1 1 -15 -18 62 o 29.285  10.907  114.834    103.755  14.822     322.342  126.393    109.587  33.511  15.713  30.315  11.226  3.195827       19.31116 
1 1 1 -15 -18 63 o 26.722  10.587  82.786     102.050  -21.5613   354.110  92.238     106.572  33.223  15.840  27.582  10.854  5.640945       19.20155 
1 1 1 -15 -18 64 o 24.005  10.204  41.595     103.791  172.847    354.663  29.301     108.543  36.172  16.802  23.669  10.252  12.50259       19.68245 
1 1 1 -15 -17 1  o 201.243 5.6383  4944.19    275.319  4547.06    509.861  5107.65    327.109  191.012 11.048  204.307 6.5985  -13.29581      12.86856 
1 1 1 -15 -17 2  o 165.827 4.4141  3348.39    177.608  3154.46    267.249  3501.80    237.692  160.538 6.8608  169.361 5.7841  -8.823196      8.973672 
1 1 1 -15 -17 3  o 140.445 4.0816  2400.25    139.090  2237.71    211.370  2524.39    184.719  135.303 6.4383  143.883 5.2910  -8.580566      8.333465 
1 1 1 -15 -17 4  o 101.214 3.6428  1245.74    89.463   1223.29    138.944  1261.64    116.925  99.961  5.7528  101.776 4.7348  -1.814964      7.450701 
1 1 1 -15 -17 5  o 125.640 3.9254  1920.16    119.669  1559.08    181.467  2198.01    159.187  112.740 6.6633  134.326 4.8841  -21.58603      8.261572 
1 1 1 -15 -17 6  o 185.154 5.4610  4180.00    245.341  3944.35    309.748  4576.74    401.912  179.548 7.1099  193.036 8.5808  -13.48701      11.14366 
1 1 1 -15 -17 7  o 199.199 6.9568  4852.60    336.249  4561.26    499.359  5094.27    454.813  191.778 10.775  203.490 9.2114  -11.71225      14.17565 
1 1 1 -15 -17 8  o 89.743  5.0920  984.363    110.424  1021.51    174.380  959.494    142.675  90.949  7.9827  88.358  6.7048  2.591057       10.42487 
1 1 1 -15 -17 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -15 -17 10 o 112.239 7.6618  1549.70    207.412  1549.70    207.412  0.0000     0.0000   112.239 7.6618  ?       ?       0.000000       7.661792 
1 1 1 -15 -17 11 o 129.103 7.9652  2050.09    248.295  2050.09    248.295  0.0000     0.0000   129.103 7.9652  ?       ?       0.000000       7.965187 
1 1 1 -15 -17 12 o 27.807  5.1710  97.213     33.605   126.551    52.729   77.147     43.608   31.558  7.0624  24.785  6.9633  6.773268       9.917886 
1 1 1 -15 -17 13 o 258.895 5.6980  8173.50    357.939  8850.89    518.960  7558.85    494.341  268.758 7.9581  248.290 8.2055  20.46773       11.43069 
1 1 1 -15 -17 14 o 134.275 4.3755  2194.00    142.556  3047.12    265.107  1846.96    169.083  157.886 6.9201  123.074 5.6620  34.81179       8.941249 
1 1 1 -15 -17 15 o 63.562  3.6909  492.851    56.679   699.061    94.887   378.463    70.671   75.570  5.2066  55.479  5.3150  20.09169       7.440274 
1 1 1 -15 -17 16 o 253.424 5.6561  7830.88    347.797  8301.41    504.824  7405.76    479.846  260.277 7.9935  245.820 8.0449  14.45724       11.34094 
1 1 1 -15 -17 17 o 60.925  3.9158  453.258    57.580   548.981    101.119  407.328    70.045   66.767  6.3169  57.608  5.0624  9.158459       8.095140 
1 1 1 -15 -17 18 o 139.502 4.0454  2367.08    136.932  2848.44    208.603  2002.62    181.513  152.847 5.6247  128.136 5.8381  24.71135       8.106854 
1 1 1 -15 -17 19 o 257.098 5.6899  8060.23    354.949  9022.13    514.991  7189.80    489.896  271.393 7.8205  242.113 8.3391  29.28024       11.43249 
1 1 1 -15 -17 20 o 16.894  6.3262  25.928     34.995   140.277    68.450   -14.5360   40.718   33.186  8.4717  13.783  6.1139  19.40273       10.44750 
1 1 1 -15 -17 21 o 127.629 5.2026  1984.72    161.114  0.0000     0.0000   1984.72    161.114  ?       ?       127.629 5.2026  0.000000       5.202595 
1 1 1 -15 -17 22 o 94.895  7.0572  1107.15    161.334  0.0000     0.0000   1107.15    161.334  ?       ?       94.895  7.0572  0.000000       7.057233 
1 1 1 -15 -17 23 o 73.264  7.0392  662.308    123.594  0.0000     0.0000   662.308    123.594  ?       ?       73.264  7.0392  0.000000       7.039155 
1 1 1 -15 -17 24 o 108.396 5.5723  1436.41    146.062  1580.45    225.397  1332.13    191.778  113.217 8.2620  104.018 7.6522  9.198631       11.26126 
1 1 1 -15 -17 25 f 196.182 4.7862  4686.95    227.829  5021.09    326.344  4369.25    318.209  202.703 6.6352  189.025 6.9379  13.67825       9.600016 
1 1 1 -15 -17 26 f 176.529 4.4316  3793.08    189.819  3856.07    271.714  3733.04    265.292  177.691 6.3021  174.842 6.2534  2.848816       8.878088 
1 1 1 -15 -17 27 o 118.890 3.7345  1718.92    107.731  1870.73    154.871  1576.59    149.957  123.896 5.1517  113.710 5.4350  10.18527       7.488627 
1 1 1 -15 -17 28 o 93.286  3.5561  1058.10    80.492   1104.82    115.094  1013.38    112.613  95.090  5.0060  91.044  5.1185  4.046135       7.159518 
1 1 1 -15 -17 29 o 138.501 3.9501  2333.78    132.748  2378.05    190.060  2291.62    185.492  139.608 5.6107  137.052 5.5780  2.555954       7.911599 
1 1 1 -15 -17 30 o 159.517 5.0188  3101.67    194.255  3270.32    368.181  3036.62    228.673  162.590 9.3723  157.680 5.9769  4.910217       11.11592 
1 1 1 -15 -17 31 o 197.749 7.0478  4790.58    338.167  4486.73    506.754  5034.52    454.055  189.740 11.055  202.011 9.2634  -12.27087      14.42303 
1 1 1 -15 -17 32 o 73.813  5.7053  669.379    101.389  636.054    169.695  687.880    126.439  70.982  10.141  74.588  7.0708  -3.605408      12.36269 
1 1 1 -15 -17 33 f 77.337  5.5510  734.276    103.471  826.988    169.902  679.619    130.452  81.430  8.7355  74.048  7.3581  7.381737       11.42150 
1 1 1 -15 -17 34 o 80.604  3.5451  790.612    69.335   764.941    99.210   815.121    96.939   78.978  5.2063  81.584  4.9201  -2.605591      7.163252 
1 1 1 -15 -17 35 o 131.723 3.9359  2113.73    125.797  1796.51    179.942  2416.97    175.932  120.927 6.1529  140.648 5.1552  -19.72137      8.027113 
1 1 1 -15 -17 36 o 98.062  3.9990  1172.20    95.151   1193.46    151.947  1158.48    122.044  98.383  6.4000  97.193  5.1939  1.189957       8.242330 
1 1 1 -15 -17 37 o 67.102  3.6676  550.338    59.489   564.651    84.357   536.179    83.904   67.728  5.1723  65.966  5.2864  1.761108       7.395894 
1 1 1 -15 -17 38 o 77.986  3.5993  741.429    68.108   768.299    96.571   714.837    96.070   79.043  5.0618  76.197  5.2278  2.845955       7.276815 
1 1 1 -15 -17 39 f 65.207  3.6678  520.378    57.796   492.739    81.441   548.419    82.032   63.129  5.3678  66.680  5.1090  -3.551201      7.410469 
1 1 1 -15 -17 40 o 62.252  3.7041  474.819    55.697   540.078    78.630   409.101    78.906   66.167  4.9330  57.354  5.7473  8.813408       7.574059 
1 1 1 -15 -17 41 o 94.018  3.6399  1079.81    83.036   1091.75    118.964  1068.47    115.956  94.054  5.2335  93.067  5.1551  0.9873581      7.346054 
1 1 1 -15 -17 42 o 73.646  3.6764  663.109    65.696   642.706    92.996   683.434    92.820   72.004  5.3612  74.313  5.1801  -2.309250      7.454941 
1 1 1 -15 -17 43 o 93.284  4.8181  1073.79    108.683  945.980    140.807  1262.16    170.940  86.839  6.7353  100.212 7.0755  -13.37354      9.768662 
1 1 1 -15 -17 44 o 8.6534  4.2025  -47.4223   27.771   -16.5149   31.922   -143.6251  56.318   11.685  5.2799  10.765  5.3662  0.9203634      7.528151 
1 1 1 -15 -17 45 o 28.502  6.5280  105.427    44.175   96.615     53.697   123.881    77.704   27.258  7.7511  30.813  9.4734  -3.554462      12.24025 
1 1 1 -15 -17 46 o 50.713  4.3736  318.775    53.292   369.284    70.059   249.421    82.095   54.328  5.3856  43.684  8.0415  10.64467       9.678366 
1 1 1 -15 -17 47 f 45.980  4.6990  263.508    51.689   250.354    67.555   282.082    80.278   44.283  6.4788  46.758  7.3157  -2.474949      9.772139 
1 1 1 -15 -17 48 o 38.628  5.3128  188.395    48.477   222.058    60.739   129.320    80.461   41.727  6.1865  31.297  9.6430  10.42995       11.45688 
1 1 1 -15 -17 49 o 45.666  8.4120  275.350    89.774   702.305    158.103  72.190     109.061  73.079  9.1144  27.811  10.968  45.26810       14.26093 
1 1 1 -15 -17 50 o 13.542  6.5804  -111.4814  68.336   -48.0614   117.764  -143.6774  83.907   22.108  10.050  14.733  7.1885  7.374970       12.35602 
1 1 1 -15 -17 51 o 81.782  4.5757  830.572    90.434   809.592    108.740  877.632    162.860  80.273  5.6183  81.983  8.3015  -1.710114      10.02393 
1 1 1 -15 -17 52 o 51.696  4.5328  333.713    56.283   342.487    74.282   321.887    86.242   51.830  6.0187  49.636  7.3858  2.193562       9.527617 
1 1 1 -15 -17 53 o 51.273  4.5582  329.013    56.117   290.928    74.574   378.732    85.206   47.368  6.6733  54.170  6.6204  -6.801788      9.400150 
1 1 1 -15 -17 54 o 21.488  6.8803  58.826     40.580   29.731     52.550   101.809    63.871   19.106  7.5886  27.566  8.6078  -8.460554      11.47517 
1 1 1 -15 -17 55 f 14.735  6.0732  10.726     35.091   20.628     45.859   -3.2628    54.507   17.350  7.0207  16.550  7.2159  0.8000336      10.06777 
1 1 1 -15 -17 56 o 43.822  5.1907  245.047    54.121   199.956    69.119   316.501    87.009   38.434  7.6803  48.624  7.6256  -10.18984      10.82299 
1 1 1 -15 -17 57 o 33.391  6.1765  146.950    48.199   165.330    61.525   117.749    77.549   34.887  7.4920  29.143  9.5265  5.743292       12.11958 
1 1 1 -15 -17 58 o 21.039  7.3316  54.470     45.946   88.716     50.952   -94.5700   106.295  25.591  7.6302  18.558  8.7991  7.032513       11.64663 
1 1 1 -15 -17 59 o 82.884  5.1988  872.091    104.024  889.501    128.792  839.418    176.430  82.724  6.4679  77.385  9.6026  5.338783       11.57770 
1 1 1 -15 -17 60 o 37.223  5.7621  180.270    50.360   185.351    64.455   172.307    80.689   36.982  7.4406  34.732  9.3621  2.250267       11.95877 
1 1 1 -15 -17 61 o 28.749  6.8459  111.506    47.070   102.013    58.462   129.001    79.362   27.270  8.1829  30.242  9.6154  -2.972799      12.62596 
1 1 1 -15 -17 62 o 50.972  10.445  379.176    124.839  509.746    365.947  361.980    132.806  47.060  19.523  48.974  11.391  -1.913483      22.60309 
1 1 1 -15 -17 63 o 25.186  10.488  55.112     106.172  -222.3988  280.077  101.683    114.735  27.241  13.256  28.572  11.256  -1.331625      17.39027 
1 1 1 -15 -16 1  o 90.272  5.1607  996.601    112.569  726.802    177.154  1179.31    145.784  76.143  9.8172  98.068  6.1579  -21.92429      11.58868 
1 1 1 -15 -16 2  o 135.988 4.5483  2251.67    150.078  1868.69    282.995  2401.52    177.021  122.775 9.5753  140.363 5.1977  -17.58813      10.89502 
1 1 1 -15 -16 3  o 139.526 4.0975  2368.52    138.718  2068.66    209.936  2600.91    184.811  129.922 6.6821  146.082 5.2140  -16.16060      8.475630 
1 1 1 -15 -16 4  o 78.152  3.5144  742.501    66.643   738.264    103.766  745.476    86.945   77.615  5.5464  78.116  4.6075  -0.5006027     7.210550 
1 1 1 -15 -16 5  o 128.626 3.9713  2012.36    123.943  1550.24    186.347  2378.98    165.980  112.405 6.8653  139.760 4.8945  -27.35536      8.431399 
1 1 1 -15 -16 6  f 118.435 3.8583  1705.81    110.878  1229.08    167.034  2081.35    148.251  100.035 6.9242  130.752 4.6729  -30.71654      8.353435 
1 1 1 -15 -16 7  o 77.285  4.9456  730.394    92.257   1056.67    144.924  508.079    119.627  92.797  6.4770  63.933  7.8782  28.86420       10.19890 
1 1 1 -15 -16 8  o 112.468 8.2980  1559.29    224.848  1559.29    224.848  0.0000     0.0000   112.468 8.2980  ?       ?       0.000000       8.298050 
1 1 1 -15 -16 9  o 99.802  8.1679  1228.83    196.062  1228.83    196.062  0.0000     0.0000   99.802  8.1679  ?       ?       0.000000       8.167926 
1 1 1 -15 -16 10 o 13.272  6.2956  -66.9106   54.544   -66.9106   54.544   0.0000     0.0000   13.272  6.2956  ?       ?       0.000000       6.295553 
1 1 1 -15 -16 11 o 135.509 3.9595  2233.14    130.187  2061.25    193.630  2374.95    175.873  129.969 6.1400  139.624 5.1913  -9.654999      8.040458 
1 1 1 -15 -16 12 o 111.315 3.6078  1506.29    97.445   1720.45    148.123  1342.88    129.386  118.843 5.1367  105.001 5.0785  13.84271       7.223314 
1 1 1 -15 -16 13 o 290.000 6.2002  10263.15   436.280  11366.66   629.201  9241.31    605.469  304.401 8.5188  274.259 9.0984  30.14240       12.46401 
1 1 1 -15 -16 14 o 249.352 5.5466  7578.79    335.583  8430.29    486.926  6808.45    463.140  262.434 7.6468  235.716 8.0977  26.71773       11.13758 
1 1 1 -15 -16 15 o 223.037 5.1572  6059.71    279.097  6714.78    407.437  5480.57    383.092  234.342 7.1655  211.644 7.4599  22.69838       10.34380 
1 1 1 -15 -16 16 o 225.386 5.2066  6188.46    284.738  6849.13    415.500  5603.47    390.980  236.657 7.2358  213.987 7.5301  22.67015       10.44318 
1 1 1 -15 -16 17 o 257.099 5.6825  8058.87    354.492  9045.83    513.439  7159.85    490.033  271.802 7.7852  241.645 8.3577  30.15779       11.42192 
1 1 1 -15 -16 18 o 290.197 6.2362  10277.79   439.116  11247.42   632.509  9375.64    610.104  302.767 8.6098  276.246 9.1021  26.52090       12.52909 
1 1 1 -15 -16 19 o 115.492 3.8181  1621.83    106.995  1838.43    164.173  1461.91    141.069  122.814 5.5092  109.536 5.3078  13.27828       7.650088 
1 1 1 -15 -16 20 o 132.866 5.3151  2151.01    171.352  0.0000     0.0000   2151.01    171.352  ?       ?       132.866 5.3151  0.000000       5.315094 
1 1 1 -15 -16 21 o 10.561  4.9429  -31.9517   31.645   0.0000     0.0000   -31.9517   31.645   ?       ?       10.561  4.9429  0.000000       4.942901 
1 1 1 -15 -16 22 o 110.759 7.3496  1507.21    196.396  0.0000     0.0000   1507.21    196.396  ?       ?       110.759 7.3496  0.000000       7.349571 
1 1 1 -15 -16 23 f 129.886 7.7704  2073.19    243.765  0.0000     0.0000   2073.19    243.765  ?       ?       129.886 7.7704  0.000000       7.770407 
1 1 1 -15 -16 24 o 71.955  5.0069  633.634    86.871   766.400    119.906  486.955    126.032  78.986  6.3091  62.437  8.5431  16.54830       10.62027 
1 1 1 -15 -16 25 o 117.518 3.7840  1679.33    107.901  1761.09    155.115  1602.68    150.194  120.211 5.3179  114.670 5.3981  5.541451       7.577584 
1 1 1 -15 -16 26 o 123.385 3.8126  1851.32    114.142  1993.69    163.966  1717.46    158.990  127.903 5.2833  118.688 5.5208  9.215248       7.641488 
1 1 1 -15 -16 27 o 70.848  3.5021  610.190    60.203   625.955    86.502   595.379    83.842   71.508  5.0172  69.734  4.9880  1.773483       7.074798 
1 1 1 -15 -16 28 o 139.820 3.9865  2378.14    135.247  2357.38    193.408  2398.01    189.197  139.010 5.7341  140.226 5.5606  -1.216171      7.987485 
1 1 1 -15 -16 29 o 130.153 3.8753  2060.53    122.385  2024.42    174.882  2095.18    171.331  128.826 5.5947  131.084 5.3867  -2.258224      7.766384 
1 1 1 -15 -16 30 o 101.413 3.6661  1250.76    90.212   1315.33    128.448  1187.91    126.727  103.881 5.0960  98.559  5.3189  5.321854       7.366095 
1 1 1 -15 -16 31 o 121.990 5.5551  1815.96    164.431  2242.08    258.257  1525.46    213.237  134.921 7.9235  111.196 7.9559  23.72504       11.22846 
1 1 1 -15 -16 32 o 124.124 5.6221  1880.95    169.323  2245.65    269.175  1642.16    217.816  134.892 8.2639  115.384 7.8263  19.50844       11.38167 
1 1 1 -15 -16 33 f 39.094  8.7185  195.644    80.596   0.0000     0.0000   195.644    80.596   ?       ?       39.094  8.7185  0.000000       8.718508 
1 1 1 -15 -16 34 o 53.711  3.9035  353.067    50.524   377.901    71.279   327.989    71.627   55.371  5.3729  51.470  5.8387  3.901562       7.934653 
1 1 1 -15 -16 35 o 41.684  4.2740  213.977    42.617   215.141    59.916   212.786    60.629   41.477  6.1389  41.222  6.2584  0.2553673      8.766596 
1 1 1 -15 -16 36 o 15.557  5.9191  20.765     30.917   5.4112     41.928   39.063     45.772   15.689  6.5667  19.835  7.2703  -4.145744      9.796847 
1 1 1 -15 -16 37 o 47.764  4.0784  280.256    46.814   293.708    64.950   265.711    67.535   48.646  5.6052  46.119  6.1914  2.526688       8.351760 
1 1 1 -15 -16 38 f 21.130  6.0385  56.204     32.506   59.383     44.335   52.508     47.801   22.232  7.1993  21.615  7.4812  0.6164055      10.38260 
1 1 1 -15 -16 39 o 67.328  3.6707  554.590    59.741   540.056    85.371   568.536    83.628   66.123  5.3674  67.910  5.1128  -1.786736      7.412746 
1 1 1 -15 -16 40 o 27.151  5.5260  93.867     35.167   75.877     48.413   113.963    51.167   24.598  7.4612  29.723  7.1761  -5.125111      10.35205 
1 1 1 -15 -16 41 o 8.7575  4.2507  -48.1855   28.305   -55.6490   35.662   -35.4792   46.532   10.060  4.8550  13.367  6.1655  -3.307198      7.847563 
1 1 1 -15 -16 42 o 29.668  5.6099  112.078    38.904   107.085    49.516   120.132    62.887   28.749  7.1326  30.385  8.2965  -1.635731      10.94099 
1 1 1 -15 -16 43 o 105.458 5.0446  1370.32    129.083  1437.01    168.686  1276.10    200.513  107.265 6.5121  100.150 8.3269  7.115089       10.57090 
1 1 1 -15 -16 44 o 101.788 4.9781  1277.66    122.950  1273.99    159.888  1282.97    192.326  100.844 6.5702  100.472 7.9542  0.3722076      10.31680 
1 1 1 -15 -16 45 o 95.466  4.9230  1127.49    113.649  1088.13    146.990  1185.99    179.202  93.092  6.5492  96.589  7.7105  -3.497452      10.11651 
1 1 1 -15 -16 46 f 56.956  4.3280  401.255    59.365   403.581    75.379   397.457    96.334   56.779  5.5420  55.726  7.3002  1.053391       9.165493 
1 1 1 -15 -16 47 o 76.793  4.0471  726.440    75.144   646.398    99.890   830.786    114.052  71.858  5.7779  81.507  5.8048  -9.648964      8.190245 
1 1 1 -15 -16 48 o 63.157  4.2116  492.906    64.171   437.199    83.817   571.807    99.751   58.926  5.9434  67.373  6.1705  -8.446480      8.567326 
1 1 1 -15 -16 49 o 25.659  9.6166  70.132     80.897   41.310     140.423  84.450     98.971   28.318  11.944  28.036  10.609  0.2822742      15.97498 
1 1 1 -15 -16 50 o 48.059  8.4407  305.239    94.836   383.406    166.826  267.918    115.274  51.327  13.290  43.907  10.876  7.420387       17.17356 
1 1 1 -15 -16 51 o 31.809  6.3437  131.616    47.245   176.746    54.579   -3.2720    94.359   37.001  6.3053  21.715  9.4802  15.28633       11.38556 
1 1 1 -15 -16 52 o 33.965  5.5986  148.003    44.532   157.049    58.092   135.112    69.348   34.483  7.1765  31.585  8.7485  2.898506       11.31537 
1 1 1 -15 -16 53 o 61.467  4.0959  469.177    60.739   404.943    84.390   538.215    87.489   56.202  6.2965  65.232  5.5813  -9.029488      8.414108 
1 1 1 -15 -16 54 o 48.545  4.4780  295.340    52.152   272.064    71.851   321.256    75.817   45.704  6.6761  49.849  6.4173  -4.145084      9.260208 
1 1 1 -15 -16 55 o 78.716  4.0750  770.421    77.565   896.951    109.260  641.859    110.134  84.211  5.3752  70.505  6.5113  13.70621       8.443376 
1 1 1 -15 -16 56 o 23.999  6.9251  76.697     42.562   135.563    51.586   -48.8152   75.326   31.824  6.8809  16.793  7.7803  15.03149       10.38656 
1 1 1 -15 -16 57 o 44.468  5.2497  252.882    55.550   214.856    72.852   305.703    85.862   39.735  7.8346  47.668  7.6848  -7.933102      10.97443 
1 1 1 -15 -16 58 o 27.093  7.4728  99.969     50.719   103.654    57.870   87.761     105.329  27.489  8.1164  27.531  10.804  -0.4184532E-01 13.51306 
1 1 1 -15 -16 59 o 45.151  5.9908  264.814    64.011   280.413    75.105   223.399    122.376  45.984  6.9479  38.206  11.912  7.777927       13.79041 
1 1 1 -15 -16 60 o 48.268  4.9462  295.945    57.111   315.608    74.702   268.286    88.598   49.140  6.4186  44.036  8.6002  5.103088       10.73136 
1 1 1 -15 -16 61 o 13.488  6.0072  -11.2178   39.706   -62.9261   46.457   128.923    76.481   11.676  5.6121  30.270  9.4138  -18.59467      10.95971 
1 1 1 -15 -16 62 o 46.982  10.882  327.880    121.613  553.538    283.415  276.954    134.637  51.864  18.201  41.955  12.378  9.909588       22.01133 
1 1 1 -15 -16 63 f 27.617  11.070  88.155     112.848  -71.2448   244.013  131.522    127.276  28.500  13.458  30.930  11.949  -2.430580      17.99728 
1 1 1 -15 -15 1  o 182.631 6.6226  4076.48    293.473  3643.72    435.119  4437.63    397.496  171.407 10.513  190.065 8.6192  -18.65837      13.59444 
1 1 1 -15 -15 2  o 221.507 5.2830  5979.87    283.943  5503.38    418.245  6387.23    386.717  211.837 8.1370  228.540 6.9738  -16.70364      10.71655 
1 1 1 -15 -15 3  o 115.688 3.7416  1627.36    105.028  1692.59    160.635  1578.65    138.808  117.818 5.6191  113.841 5.0252  3.977043       7.538337 
1 1 1 -15 -15 4  o 80.205  3.5247  781.966    68.595   654.243    105.278  876.185    90.422   72.986  5.9978  84.739  4.4130  -11.75266      7.446380 
1 1 1 -15 -15 5  o 169.923 4.9821  3516.50    205.413  3302.57    371.549  3610.67    246.512  163.612 9.3987  172.049 5.9050  -8.437592      11.09973 
1 1 1 -15 -15 6  o 160.118 4.2629  3119.08    165.619  3008.15    245.446  3211.81    224.407  156.964 6.4445  162.303 5.6983  -5.339096      8.602489 
1 1 1 -15 -15 7  o 157.748 9.2180  3068.11    351.294  3068.11    351.294  0.0000     0.0000   157.748 9.2180  ?       ?       0.000000       9.217994 
1 1 1 -15 -15 8  o 11.242  5.4520  -78.4502   46.291   -78.4502   46.291   0.0000     0.0000   11.242  5.4520  ?       ?       0.000000       5.451966 
1 1 1 -15 -15 9  o 29.630  9.6688  104.197    79.896   104.197    79.896   0.0000     0.0000   29.630  9.6688  ?       ?       0.000000       9.668831 
1 1 1 -15 -15 10 o 18.988  6.0810  42.902     31.698   -36.5349   45.772   116.105    43.940   13.254  6.1140  30.305  6.1850  -17.05064      8.696836 
1 1 1 -15 -15 11 o 102.453 3.5395  1275.85    87.990   1332.97    133.978  1232.53    116.682  104.467 5.3029  100.621 4.7791  3.845802       7.138708 
1 1 1 -15 -15 12 o 36.131  3.8457  160.515    33.197   126.342    57.004   178.052    40.836   31.512  7.5535  37.986  4.5193  -6.473467      8.802181 
1 1 1 -15 -15 13 o 65.737  3.4333  526.619    54.573   462.767    86.612   568.661    70.279   61.324  5.8934  68.238  4.2660  -6.914814      7.275353 
1 1 1 -15 -15 14 o 80.022  4.5159  781.714    87.326   864.381    117.999  681.614    129.846  83.997  5.8256  74.312  7.2953  9.685196       9.335909 
1 1 1 -15 -15 15 o 120.486 3.8420  1765.08    112.321  2068.93    172.084  1539.56    148.257  130.301 5.4429  112.402 5.4360  17.89866       7.692510 
1 1 1 -15 -15 16 o 77.033  3.6149  721.328    67.567   855.002    109.056  638.049    86.078   83.595  5.4055  72.222  4.9417  11.37313       7.323962 
1 1 1 -15 -15 17 o 67.321  3.6899  552.600    60.044   511.529    97.810   577.438    76.063   64.435  6.3380  68.730  4.5874  -4.294899      7.823930 
1 1 1 -15 -15 18 o 38.158  4.5933  179.737    41.673   162.534    76.002   187.132    49.832   35.697  8.8246  38.816  5.4405  -3.118027      10.36694 
1 1 1 -15 -15 19 o 114.656 4.1115  1598.90    114.383  1995.17    192.581  1382.90    142.180  127.872 6.2069  106.380 5.5273  21.49176       8.311194 
1 1 1 -15 -15 20 o 29.593  6.3580  110.957    44.292   0.0000     0.0000   110.957    44.292   ?       ?       29.593  6.3580  0.000000       6.357981 
1 1 1 -15 -15 21 o 42.088  5.4172  219.378    54.039   0.0000     0.0000   219.378    54.039   ?       ?       42.088  5.4172  0.000000       5.417239 
1 1 1 -15 -15 22 o 29.860  8.9544  110.586    70.023   0.0000     0.0000   110.586    70.023   ?       ?       29.860  8.9544  0.000000       8.954413 
1 1 1 -15 -15 23 o 182.065 6.2916  4045.70    277.943  4259.27    382.610  3807.07    404.439  186.359 8.4614  175.690 9.5228  10.66864       12.73889 
1 1 1 -15 -15 24 o 148.870 5.4484  2700.97    196.808  2276.14    266.669  3209.16    291.664  136.052 8.1149  161.958 7.4219  -25.90591      10.99712 
1 1 1 -15 -15 25 o 149.284 4.0397  2710.56    146.330  2884.58    209.592  2545.07    204.389  153.821 5.6156  144.458 5.8311  9.363037       8.095464 
1 1 1 -15 -15 26 f 81.309  3.4919  803.611    68.892   847.666    99.188   762.551    95.757   83.285  4.9302  78.966  5.0238  4.318657       7.038860 
1 1 1 -15 -15 27 o 101.241 3.5644  1246.03    87.560   1186.56    124.123  1304.94    123.536  98.546  5.2095  103.512 4.9186  -4.965607      7.164589 
1 1 1 -15 -15 28 o 219.796 5.0623  5885.55    269.981  5929.49    384.854  5842.98    378.838  220.144 7.2049  218.548 7.1440  1.596542       10.14628 
1 1 1 -15 -15 29 o 179.576 5.0727  3929.21    221.032  3982.58    369.648  3899.51    275.762  180.102 8.4588  178.676 6.3607  1.425995       10.58343 
1 1 1 -15 -15 30 f 27.953  5.7293  98.797     37.553   4.7350     51.113   209.129    55.357   17.193  7.2263  41.013  5.7183  -23.81974      9.215124 
1 1 1 -15 -15 31 o 208.443 7.3440  5323.01    371.435  4765.17    554.102  5778.24    500.549  195.419 11.740  216.453 9.5306  -21.03386      15.12170 
1 1 1 -15 -15 32 o 63.121  5.8625  490.675    88.764   399.277    154.422  535.775    108.476  55.630  11.806  65.804  6.8963  -10.17379      13.67239 
1 1 1 -15 -15 33 o 46.210  6.7700  266.881    73.656   77.669     134.085  348.651    88.146   31.279  12.214  52.887  7.0442  -21.60818      14.09951 
1 1 1 -15 -15 34 o 165.945 4.3666  3355.09    175.823  3341.28    251.018  3368.40    246.349  165.233 6.2610  165.935 6.1186  -0.7013702     8.754264 
1 1 1 -15 -15 35 o 37.272  4.6858  172.071    41.440   122.249    58.607   221.887    58.603   30.920  7.8096  42.190  5.8848  -11.27075      9.778564 
1 1 1 -15 -15 36 f 96.236  3.6454  1127.72    85.123   1156.22    121.549  1100.29    119.249  97.129  5.1761  94.738  5.2076  2.391258       7.342442 
1 1 1 -15 -15 37 o 102.349 3.6682  1276.20    91.096   1254.79    130.670  1296.45    127.066  101.112 5.3450  102.959 5.0863  -1.846962      7.378313 
1 1 1 -15 -15 38 o 59.319  3.8071  430.802    54.507   372.754    76.452   490.813    77.733   54.804  5.8392  63.113  5.1202  -8.309227      7.766152 
1 1 1 -15 -15 39 o 71.566  3.8141  626.705    65.993   536.789    90.252   730.013    96.740   65.856  5.7044  76.987  5.2094  -11.13043      7.725183 
1 1 1 -15 -15 40 o 145.887 4.2441  2602.78    150.234  2479.29    213.413  2724.09    211.526  141.743 6.2052  148.712 5.8621  -6.968094      8.536315 
1 1 1 -15 -15 41 o 89.806  3.7300  985.251    81.279   945.172    113.030  1028.17    116.961  87.487  5.3503  91.274  5.3041  -3.786934      7.533863 
1 1 1 -15 -15 42 o 16.162  6.2320  21.674     34.573   -18.3907   43.437   90.922     57.106   13.906  6.2316  26.754  8.1008  -12.84773      10.22038 
1 1 1 -15 -15 43 o 34.294  6.0954  149.952    48.862   189.388    59.672   69.697     85.125   38.500  6.6268  26.229  9.8579  12.27074       11.87824 
1 1 1 -15 -15 44 o 58.544  4.9814  425.454    70.089   480.978    87.985   329.032    115.946  61.995  5.9211  49.740  9.9543  12.25483       11.58221 
1 1 1 -15 -15 45 o 45.049  5.3450  254.400    57.284   265.978    70.656   232.192    97.854   45.720  6.5568  41.596  9.8478  4.123943       11.83093 
1 1 1 -15 -15 46 o 84.723  3.9908  881.025    82.039   816.921    111.394  957.009    121.277  80.908  5.7109  87.589  5.7381  -6.681091      8.095704 
1 1 1 -15 -15 47 o 54.823  4.4707  372.521    58.952   328.573    75.987   438.964    93.433   50.933  6.2817  58.828  6.6631  -7.895348      9.157349 
1 1 1 -15 -15 48 o 71.152  4.1578  624.658    71.470   556.796    95.090   712.764    108.349  66.574  5.9493  75.372  5.9734  -8.798447      8.430636 
1 1 1 -15 -15 49 o 79.012  6.2439  786.468    118.729  811.193    217.906  776.028    141.593  76.587  12.130  77.803  7.5973  -1.215431      14.31294 
1 1 1 -15 -15 50 o 37.729  8.3327  189.690    74.247   384.786    156.430  132.959    84.354   51.877  12.561  31.615  9.8954  20.26191       15.99078 
1 1 1 -15 -15 51 o 7.8674  3.8961  -63.9100   27.808   -41.3147   32.853   -120.9970  52.220   10.147  4.8343  10.675  5.2957  -0.5277996     7.170454 
1 1 1 -15 -15 52 o 44.768  4.8700  251.923    52.047   226.061    68.814   286.495    79.563   41.594  7.0715  46.866  7.2291  -5.272312      10.11267 
1 1 1 -15 -15 53 o 38.845  5.2551  191.919    48.260   142.837    61.613   269.836    77.629   32.568  7.8818  45.327  7.3069  -12.75866      10.74775 
1 1 1 -15 -15 54 o 66.370  4.0965  547.481    65.649   569.407    89.139   521.492    97.046   67.046  5.5287  63.713  6.3626  3.333496       8.429020 
1 1 1 -15 -15 55 o 18.563  7.3399  28.845     48.960   58.830     66.271   -7.1853    72.645   23.093  8.6944  18.716  8.2406  4.377041       11.97913 
1 1 1 -15 -15 56 o 42.957  5.4755  236.693    55.774   211.113    71.851   275.473    88.469   39.493  7.7748  44.876  8.4345  -5.382465      11.47118 
1 1 1 -15 -15 57 o 53.978  4.8803  368.719    63.228   307.629    83.834   449.305    96.288   47.981  7.4419  58.477  6.9204  -10.49551      10.16237 
1 1 1 -15 -15 58 f 27.938  7.4839  106.374    51.753   111.158    59.094   90.629     107.208  28.418  8.1482  27.859  10.909  0.5589027      13.61652 
1 1 1 -15 -15 59 o 36.643  6.7819  178.738    58.077   149.695    67.150   264.966    115.703  32.800  8.4004  42.117  11.148  -9.316807      13.95844 
1 1 1 -15 -15 60 o 37.313  5.7996  180.945    50.802   152.468    62.677   235.483    86.737   33.334  7.8746  41.016  8.9657  -7.681992      11.93285 
1 1 1 -15 -15 61 o 60.515  4.6347  461.318    67.536   393.289    88.050   558.537    105.258  54.716  6.7771  65.343  6.7354  -10.62704      9.554847 
1 1 1 -15 -15 62 o 39.293  11.452  235.201    115.882  361.718    275.227  207.940    127.758  43.395  17.326  36.711  12.239  6.684162       21.21222 
1 1 1 -15 -15 63 o 29.881  11.464  120.197    116.574  -121.5095  268.233  176.481    129.437  28.507  13.645  34.020  12.263  -5.512760      18.34531 
1 1 1 -15 -14 1  o 174.706 6.4184  3727.32    272.080  3343.24    402.570  4050.29    369.157  164.362 10.144  181.702 8.3731  -17.34079      13.15322 
1 1 1 -15 -14 2  o 113.870 4.1900  1577.39    115.767  1554.37    218.892  1586.33    136.405  112.337 8.0846  114.132 4.9256  -1.795418      9.466885 
1 1 1 -15 -14 3  o 110.150 3.7295  1475.14    99.678   1379.20    152.066  1547.42    131.989  106.173 5.9264  112.736 4.8252  -6.563034      7.642271 
1 1 1 -15 -14 4  o 226.257 5.2771  6236.85    289.710  5948.95    423.770  6489.48    396.966  220.392 7.9244  230.402 7.1008  -10.00911      10.64038 
1 1 1 -15 -14 5  f 172.421 4.4454  3617.43    185.980  3408.16    275.178  3793.40    252.334  167.031 6.7897  176.367 5.8965  -9.336212      8.992739 
1 1 1 -15 -14 6  o 104.507 3.6177  1327.60    91.736   1250.36    138.648  1387.74    122.345  101.121 5.6737  106.774 4.7223  -5.653526      7.381815 
1 1 1 -15 -14 7  o 86.082  8.0880  915.445    166.953  915.445    166.953  0.0000     0.0000   86.082  8.0880  ?       ?       0.000000       8.088011 
1 1 1 -15 -14 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -15 -14 9  o 79.075  5.1312  764.696    97.920   820.509    152.417  725.469    127.778  81.512  7.8017  76.751  6.9362  4.760170       10.43924 
1 1 1 -15 -14 10 o 41.506  5.6423  213.790    55.351   160.205    94.366   241.897    68.343   35.676  10.316  44.035  6.5997  -8.358448      12.24678 
1 1 1 -15 -14 11 o 206.030 4.8796  5167.85    243.935  5339.23    355.588  5015.50    335.261  209.031 7.0109  202.634 6.8188  6.396896       9.779995 
1 1 1 -15 -14 12 o 171.304 4.3347  3569.98    180.174  4021.54    264.864  3181.04    245.811  181.585 6.0115  161.460 6.2744  20.12456       8.689397 
1 1 1 -15 -14 13 o 162.585 4.2535  3215.49    167.801  3350.46    247.216  3100.18    228.499  165.723 6.1479  159.447 5.9061  6.276047       8.525220 
1 1 1 -15 -14 14 o 205.912 4.8716  5161.87    243.396  5722.18    355.129  4665.52    334.247  216.452 6.7618  195.391 7.0501  21.06090       9.768625 
1 1 1 -15 -14 15 o 202.243 4.8215  4979.21    236.604  5556.89    345.655  4469.90    324.558  213.321 6.6780  191.262 6.9936  22.05838       9.669819 
1 1 1 -15 -14 16 o 160.409 4.2637  3130.02    165.952  3373.05    245.698  2926.14    225.042  166.290 6.0894  154.896 5.9877  11.39371       8.540052 
1 1 1 -15 -14 17 o 177.307 4.4295  3825.01    190.563  4079.38    273.133  3583.75    266.003  182.863 6.1558  171.357 6.3976  11.50635       8.878272 
1 1 1 -15 -14 18 o 220.954 5.1756  5946.23    277.477  6442.14    396.029  5468.03    388.891  229.586 7.1092  211.410 7.5812  18.17538       10.39301 
1 1 1 -15 -14 19 o 45.556  5.1736  255.995    56.174   0.0000     0.0000   255.995    56.174   ?       ?       45.556  5.1736  0.000000       5.173597 
1 1 1 -15 -14 20 o 75.659  4.8080  699.618    87.808   0.0000     0.0000   699.618    87.808   ?       ?       75.659  4.8080  0.000000       4.808034 
1 1 1 -15 -14 21 o 163.996 5.9683  3279.96    237.493  0.0000     0.0000   3279.96    237.493  ?       ?       163.996 5.9683  0.000000       5.968348 
1 1 1 -15 -14 22 o 87.305  4.8540  930.778    102.419  886.397    139.585  982.538    150.743  84.916  6.8325  89.401  7.0052  -4.485596      9.785449 
1 1 1 -15 -14 23 o 92.239  4.7327  1038.32    105.566  999.557    139.263  1090.69    161.858  90.272  6.3994  94.198  7.1345  -3.925407      9.584058 
1 1 1 -15 -14 24 o 172.222 6.0346  3618.02    252.176  3569.67    344.212  3674.03    370.500  170.654 8.3128  172.790 8.8669  -2.136871      12.15415 
1 1 1 -15 -14 25 o 214.446 4.9898  5600.15    259.638  5447.79    369.876  5748.15    364.549  211.076 7.2219  216.885 6.9273  -5.808517      10.00716 
1 1 1 -15 -14 26 o 92.319  3.6008  1036.03    80.660   1000.21    114.638  1071.15    113.511  90.458  5.2455  93.651  5.0135  -3.192520      7.256022 
1 1 1 -15 -14 27 o 97.459  3.6187  1154.67    85.574   1108.77    121.022  1200.57    121.018  95.251  5.2567  99.154  5.0467  -3.903267      7.287154 
1 1 1 -15 -14 28 o 172.014 4.4128  3600.85    184.182  3484.79    262.590  3713.23    258.405  168.931 6.4063  174.432 6.1054  -5.500946      8.849610 
1 1 1 -15 -14 29 o 185.169 4.5081  4173.58    202.544  3992.56    288.776  4348.86    284.162  180.770 6.5837  188.738 6.2050  -7.967697      9.046968 
1 1 1 -15 -14 30 o 65.005  3.6575  515.438    57.455   552.631    81.309   478.346    81.198   67.163  5.0258  62.406  5.4161  4.756935       7.388714 
1 1 1 -15 -14 31 o 179.482 6.7517  3939.74    294.036  3462.49    445.095  4309.29    391.669  166.800 11.060  187.240 8.6210  -20.44044      14.02319 
1 1 1 -15 -14 32 o 54.783  6.2446  371.399    81.523   419.347    137.467  345.388    101.248  57.417  10.243  52.418  8.2319  4.998974       13.14087 
1 1 1 -15 -14 33 o 96.669  5.6909  1144.94    132.894  916.044    217.272  1281.76    167.981  85.293  10.736  102.091 6.8205  -16.79769      12.71961 
1 1 1 -15 -14 34 o 128.286 3.9338  2003.31    122.449  2033.75    175.379  1974.36    171.041  129.036 5.6015  127.146 5.5441  1.889259       7.881244 
1 1 1 -15 -14 35 o 81.691  3.7354  812.331    74.042   762.317    102.996  865.821    106.514  78.810  5.4190  84.042  5.2496  -5.231705      7.544837 
1 1 1 -15 -14 36 o 146.271 4.1634  2607.78    147.764  2559.21    209.772  2655.62    208.177  144.546 5.9811  147.279 5.8254  -2.733658      8.349171 
1 1 1 -15 -14 37 o 235.375 5.4406  6781.82    310.719  6480.54    442.912  7073.79    436.016  228.919 7.9739  239.426 7.5053  -10.50789      10.95046 
1 1 1 -15 -14 38 o 128.553 3.9646  2015.76    123.664  1849.57    174.861  2182.05    174.913  122.746 5.8711  133.443 5.4021  -10.69662      7.978255 
1 1 1 -15 -14 39 f 74.169  3.8759  673.096    69.510   696.622    95.991   647.159    100.789  75.186  5.2956  72.342  5.7905  2.843521       7.846814 
1 1 1 -15 -14 40 o 130.623 4.1294  2085.48    130.880  1994.56    185.992  2174.67    184.204  127.212 6.0257  132.937 5.7107  -5.725586      8.301847 
1 1 1 -15 -14 41 o 82.828  3.7995  838.209    76.359   844.753    105.263  830.940    110.936  82.721  5.2719  81.944  5.6133  0.7764206      7.700722 
1 1 1 -15 -14 42 o 144.680 4.2223  2564.18    148.225  2449.53    210.741  2676.42    208.522  140.641 6.1755  147.169 5.8394  -6.528015      8.499153 
1 1 1 -15 -14 43 o 97.060  5.0064  1162.94    117.502  1114.47    152.080  1234.73    185.087  94.376  6.6844  98.840  7.7804  -4.463638      10.25751 
1 1 1 -15 -14 44 o 78.192  4.9349  756.273    93.148   831.638    118.544  634.641    150.597  81.634  6.0274  69.997  9.0809  11.63695       10.89919 
1 1 1 -15 -14 45 o 15.662  6.4329  11.163     39.202   -10.6779   47.239   59.477     70.259   15.114  6.6502  24.049  8.9721  -8.934671      11.16794 
1 1 1 -15 -14 46 o 29.781  6.3130  114.634    44.202   94.606     54.768   152.053    74.863   27.015  7.8730  33.821  8.9742  -6.805447      11.93822 
1 1 1 -15 -14 47 o 52.982  4.2815  347.399    54.571   346.449    73.248   348.584    81.810   52.467  5.8535  52.387  6.5813  0.8016968E-01  8.807769 
1 1 1 -15 -14 48 o 19.558  6.7443  44.269     38.831   57.547     47.825   18.581     66.520   21.993  7.4876  20.104  8.3305  1.889601       11.20093 
1 1 1 -15 -14 49 f 51.931  7.0554  346.066    86.602   467.502    161.296  296.880    102.653  57.985  11.864  47.117  9.3092  10.86850       15.08023 
1 1 1 -15 -14 50 o 23.815  8.8581  60.574     68.385   5.6828     142.045  77.135     78.022   26.665  11.637  26.032  9.4996  0.6335621      15.02194 
1 1 1 -15 -14 51 o 34.670  5.6120  153.706    45.598   156.048    58.115   149.955    73.546   34.443  7.1863  33.307  8.9213  1.135487       11.45571 
1 1 1 -15 -14 52 o 39.834  5.1636  200.886    48.734   213.431    62.312   181.126    78.203   40.593  6.5493  36.472  8.9125  4.120796       11.06010 
1 1 1 -15 -14 53 o 57.001  4.2904  404.596    58.904   424.278    78.186   378.763    89.577   57.848  5.6421  54.010  7.0000  3.838615       8.990680 
1 1 1 -15 -14 54 o 18.132  6.6437  35.370     38.217   7.6643     46.958   89.722     65.771   16.353  6.9025  26.287  8.7816  -9.934187      11.16968 
1 1 1 -15 -14 55 o 9.3569  4.5711  -61.9956   34.233   -61.2258   38.497   -64.9047   74.835   10.275  4.9801  16.069  7.5464  -5.794545      9.041582 
1 1 1 -15 -14 56 o 24.447  6.9961  79.743     43.602   78.791     50.598   82.492     85.941   24.406  7.6679  26.315  9.9021  -1.908186      12.52395 
1 1 1 -15 -14 57 o 48.258  5.1055  296.314    58.875   241.944    73.238   395.637    98.988   42.506  7.3680  54.357  7.7223  -11.85130      10.67337 
1 1 1 -15 -14 58 o 56.967  5.4642  414.619    74.603   395.891    86.575   468.634    147.031  55.024  6.6172  56.548  11.112  -1.523792      12.93322 
1 1 1 -15 -14 59 o 74.649  5.3127  707.734    95.600   771.714    114.681  562.002    173.080  77.381  6.1589  61.132  12.097  16.24948       13.57443 
1 1 1 -15 -14 60 o 29.847  6.5742  118.913    46.325   153.565    56.696   49.316     80.350   33.781  7.1404  23.245  9.3328  10.53593       11.75101 
1 1 1 -15 -14 61 o 17.545  6.8411  27.800     42.020   13.504     48.784   68.903     82.718   17.008  7.0979  24.905  9.6296  -7.897398      11.96280 
1 1 1 -15 -14 62 o 37.788  11.972  220.218    123.123  -72.4640   277.194  292.156    137.424  30.283  14.314  43.064  12.449  -12.78162      18.96970 
1 1 1 -15 -14 63 o 18.226  8.6703  -96.0243   104.863  -75.7765   250.386  -100.3311  115.479  28.638  13.557  19.158  9.1091  9.479427       16.33266 
1 1 1 -15 -13 1  o 111.872 5.2541  1524.77    142.621  1310.32    216.519  1689.12    189.554  102.968 8.7491  117.410 6.6813  -14.44180      11.00851 
1 1 1 -15 -13 2  o 154.510 5.8883  2911.37    220.754  2802.69    326.063  3003.35    299.955  150.833 8.9493  156.407 7.9297  -5.574600      11.95700 
1 1 1 -15 -13 3  o 135.153 4.0929  2221.57    134.222  1572.24    201.755  2737.12    179.777  113.147 7.3894  149.933 4.9417  -36.78545      8.889491 
1 1 1 -15 -13 4  o 170.356 4.5109  3531.36    186.460  2851.53    276.360  4099.43    252.624  152.689 7.4594  183.388 5.6773  -30.69919      9.374107 
1 1 1 -15 -13 5  o 273.692 6.1523  9137.89    408.565  8064.82    591.571  10116.54   564.945  256.143 9.5183  287.397 8.1014  -31.25394      12.49924 
1 1 1 -15 -13 6  o 161.326 6.2900  3175.59    246.219  3175.59    246.219  0.0000     0.0000   161.326 6.2900  ?       ?       0.000000       6.290041 
1 1 1 -15 -13 7  o 103.776 5.4685  1315.81    137.212  1315.81    137.212  0.0000     0.0000   103.776 5.4685  ?       ?       0.000000       5.468468 
1 1 1 -15 -13 8  o 256.155 8.2645  8039.13    513.671  7619.41    751.357  8407.46    703.849  247.507 12.552  260.927 11.117  -13.42006      16.76751 
1 1 1 -15 -13 9  o 202.906 7.0317  5030.57    346.194  4761.48    512.567  5256.30    469.453  196.176 10.810  206.845 9.3537  -10.66864      14.29492 
1 1 1 -15 -13 10 o 121.212 5.4415  1790.10    160.039  1768.88    247.086  1805.44    210.056  119.821 8.5549  121.333 7.1668  -1.511803      11.16012 
1 1 1 -15 -13 11 o 135.129 3.9073  2220.20    128.113  2209.65    190.461  2228.91    173.134  134.626 5.8306  135.272 5.2749  -0.6453094     7.862559 
1 1 1 -15 -13 12 o 183.035 4.5658  4076.73    202.775  4166.18    296.610  3998.24    277.843  184.727 6.6175  181.015 6.3259  3.712524       9.154654 
1 1 1 -15 -13 13 o 72.578  3.5137  640.203    61.877   558.694    95.741   698.672    81.088   67.436  5.9108  75.651  4.4370  -8.214615      7.390851 
1 1 1 -15 -13 14 o 70.189  3.4724  598.721    59.137   631.673    86.804   570.182    80.783   71.854  5.0102  68.261  4.9102  3.592491       7.015094 
1 1 1 -15 -13 15 o 87.149  3.4944  923.054    73.892   977.396    107.062  873.621    102.111  89.463  4.9513  84.559  4.9990  4.903656       7.036025 
1 1 1 -15 -13 16 o 199.076 4.7633  4823.83    230.088  4951.50    328.646  4701.09    322.235  201.366 6.7263  196.200 6.7688  5.165787       9.542535 
1 1 1 -15 -13 17 o 139.705 3.9699  2373.25    134.572  2425.87    192.910  2323.38    187.820  141.083 5.6353  138.073 5.6062  3.009384       7.948982 
1 1 1 -15 -13 18 o 129.428 5.3107  2040.57    166.779  0.0000     0.0000   2040.57    166.779  ?       ?       129.428 5.3107  0.000000       5.310674 
1 1 1 -15 -13 19 o 198.251 6.6372  4798.62    319.277  0.0000     0.0000   4798.62    319.277  ?       ?       198.251 6.6372  0.000000       6.637241 
1 1 1 -15 -13 20 o 247.175 7.7420  7476.24    464.325  0.0000     0.0000   7476.24    464.325  ?       ?       247.175 7.7420  0.000000       7.741992 
1 1 1 -15 -13 21 o 101.313 3.6438  1247.65    89.574   1404.24    129.616  1104.50    123.928  107.394 4.9741  95.064  5.3949  12.33015       7.338013 
1 1 1 -15 -13 22 o 170.346 6.0611  3539.15    250.524  3711.86    341.777  3338.59    368.297  174.094 8.0909  164.620 9.2580  9.474091       12.29527 
1 1 1 -15 -13 23 o 269.770 8.3150  8917.86    544.273  9065.41    755.187  8758.38    785.122  270.768 11.495  265.840 12.172  4.928253       16.74148 
1 1 1 -15 -13 24 o 175.798 6.2425  3770.77    266.280  4107.65    363.258  3379.51    391.478  183.113 8.1759  165.467 9.7942  17.64511       12.75817 
1 1 1 -15 -13 25 o 137.816 4.0504  2309.84    135.443  2486.17    193.140  2139.22    189.991  142.825 5.5732  132.447 5.9119  10.37794       8.124701 
1 1 1 -15 -13 26 o 162.554 5.4185  3219.82    213.718  3616.97    265.379  2486.90    360.509  172.147 6.3534  141.622 10.567  30.52477       12.33008 
1 1 1 -15 -13 27 o 112.382 3.7152  1535.44    101.308  1475.31    144.381  1593.77    142.186  110.030 5.4080  114.388 5.1228  -4.358139      7.449155 
1 1 1 -15 -13 28 o 92.296  3.6662  1035.63    82.104   998.433    116.745  1072.03    115.491  90.361  5.3485  93.676  5.1003  -3.314613      7.390485 
1 1 1 -15 -13 29 o 131.281 3.8852  2095.97    123.759  2135.63    177.168  2058.18    172.953  132.356 5.5167  129.938 5.4857  2.418579       7.779839 
1 1 1 -15 -13 30 o 158.875 5.0831  3075.35    195.950  2902.75    369.897  3142.68    231.029  153.108 10.012  160.481 5.9331  -7.373199      11.63784 
1 1 1 -15 -13 31 o 124.871 5.9534  1903.28    180.379  1678.30    277.632  2067.63    237.283  116.227 9.9403  129.693 7.5732  -13.46605      12.49650 
1 1 1 -15 -13 32 o 119.745 5.9697  1750.90    173.448  1655.64    268.485  1819.13    227.230  115.454 9.6731  121.550 7.7449  -6.095734      12.39162 
1 1 1 -15 -13 33 o 185.140 6.9173  4197.30    310.741  3955.92    468.914  4386.31    414.930  178.211 10.896  188.637 9.0653  -10.42599      14.17438 
1 1 1 -15 -13 34 o 258.419 5.8272  8160.09    365.381  7813.94    519.661  8498.54    513.843  251.866 8.5033  262.871 8.0561  -11.00485      11.71352 
1 1 1 -15 -13 35 o 182.021 4.6881  4040.19    207.055  3775.28    293.839  4301.46    291.811  175.429 6.9031  187.396 6.4177  -11.96681      9.425472 
1 1 1 -15 -13 36 o 67.471  3.9583  556.455    64.519   513.891    86.431   610.022    96.961   64.586  5.5698  70.379  5.7276  -5.793182      7.989245 
1 1 1 -15 -13 37 o 212.567 5.1734  5525.68    266.829  5210.60    379.835  5832.66    374.920  205.466 7.6189  217.630 7.1000  -12.16335      10.41425 
1 1 1 -15 -13 38 o 205.702 4.9913  5176.85    249.123  4864.90    354.749  5480.37    349.928  198.429 7.3680  210.872 6.8391  -12.44241      10.05288 
1 1 1 -15 -13 39 o 121.680 3.9627  1807.13    116.996  1809.17    165.224  1805.08    165.693  121.382 5.6099  121.240 5.6324  0.1430435      7.949517 
1 1 1 -15 -13 40 o 73.679  3.9042  664.780    69.549   674.229    95.346   654.036    101.673  73.903  5.3534  72.669  5.8149  1.233971       7.903944 
1 1 1 -15 -13 41 o 101.790 3.9100  1266.39    96.571   1286.20    135.778  1246.11    137.380  102.072 5.5026  100.413 5.6617  1.658760       7.895104 
1 1 1 -15 -13 42 o 23.599  6.4901  71.274     38.323   61.274     47.950   88.957     63.761   22.618  7.4958  26.789  8.6293  -4.171679      11.43027 
1 1 1 -15 -13 43 o 28.258  7.0546  103.543    48.221   85.840     58.940   139.380    83.860   26.174  8.2826  32.695  9.7980  -6.521301      12.82975 
1 1 1 -15 -13 44 o 75.663  4.9208  708.172    89.850   706.853    113.553  710.380    146.938  75.141  6.2859  74.508  8.2670  0.6325302      10.38539 
1 1 1 -15 -13 45 o 31.551  5.2859  126.218    39.036   91.898     52.803   167.582    57.968   26.665  7.7189  36.036  6.8806  -9.370556      10.34039 
1 1 1 -15 -13 46 o 71.912  3.9893  636.439    69.336   601.284    95.197   676.159    101.189  69.376  5.7058  73.592  5.7116  -4.215927      8.073313 
1 1 1 -15 -13 47 o 37.408  5.2235  176.340    46.119   171.857    59.197   183.265    73.563   36.437  6.9493  37.240  8.3476  -0.8034096     10.86161 
1 1 1 -15 -13 48 o 23.098  6.5453  68.712     38.359   119.023    48.878   -11.9547   61.892   30.213  6.8280  17.303  7.6126  12.91056       10.22611 
1 1 1 -15 -13 49 f 13.663  6.4168  -53.1042   54.114   -47.6136   124.749  -54.3768   60.058   22.932  10.393  14.584  6.8205  8.348381       12.43104 
1 1 1 -15 -13 50 o 24.957  8.6642  74.925     64.137   24.759     131.027  90.733     73.551   26.686  11.407  27.075  9.2852  -0.3893909     14.70799 
1 1 1 -15 -13 51 o 51.164  4.4685  326.018    54.917   348.251    72.343   295.783    84.366   52.452  5.7802  47.593  7.5583  4.858681       9.515204 
1 1 1 -15 -13 52 f 36.192  5.4448  167.135    46.333   170.487    59.401   161.927    74.042   36.012  7.0504  34.508  8.8118  1.503845       11.28523 
1 1 1 -15 -13 53 o 56.634  4.3222  399.607    58.947   412.931    78.215   382.089    89.685   57.024  5.7304  54.261  6.9733  2.763405       9.025771 
1 1 1 -15 -13 54 o 20.807  6.8815  53.963     40.421   103.370    46.677   -94.1809   80.826   27.847  6.9345  15.773  7.5333  12.07409       10.23903 
1 1 1 -15 -13 55 f 40.940  5.7146  215.688    55.219   200.875    66.634   248.160    98.657   38.793  7.3482  41.876  9.8708  -3.083336      12.30559 
1 1 1 -15 -13 56 o 34.496  6.4131  156.862    51.703   140.109    61.556   196.991    95.269   31.984  7.9627  36.948  10.261  -4.964102      12.98823 
1 1 1 -15 -13 57 o 21.124  7.1988  55.529     44.207   28.719     50.785   139.381    89.814   18.693  7.4489  31.419  10.251  -12.72565      12.67186 
1 1 1 -15 -13 58 o 36.360  6.7656  175.696    57.491   173.601    63.112   185.910    139.362  35.806  7.5044  35.381  12.727  0.4241791      14.77514 
1 1 1 -15 -13 59 o 40.519  5.7719  212.429    55.142   193.056    67.580   251.018    95.380   37.752  7.6398  42.076  9.5597  -4.324013      12.23745 
1 1 1 -15 -13 60 o 28.662  6.9684  110.644    47.992   84.678     55.707   185.399    94.522   25.225  8.0597  35.763  10.320  -10.53891      13.09440 
1 1 1 -15 -13 61 o 15.754  7.3804  -57.6149   70.835   81.997     244.830  -70.3691   74.000   33.336  14.877  15.642  7.3942  17.69401       16.61303 
1 1 1 -15 -13 62 o 65.292  9.0291  591.634    139.215  343.036    308.557  655.175    155.995  42.342  17.773  68.103  9.7156  -25.76121      20.25553 
1 1 1 -15 -12 1  o 199.245 6.8621  4849.56    331.746  4456.46    484.591  5196.29    455.115  189.828 10.563  205.704 9.1183  -15.87563      13.95398 
1 1 1 -15 -12 2  o 88.279  4.8758  951.591    104.035  699.741    155.917  1153.70    139.675  75.043  8.7258  97.087  5.9580  -22.04383      10.56582 
1 1 1 -15 -12 3  o 41.966  3.8066  215.859    38.340   116.276    59.628   286.046    50.060   30.280  7.9970  48.301  4.3169  -18.02075      9.087758 
1 1 1 -15 -12 4  o 253.660 5.8150  7843.93    357.901  6761.19    519.766  8820.19    493.549  234.678 9.1279  268.533 7.5748  -33.85464      11.86150 
1 1 1 -15 -12 5  o 123.457 5.6639  1857.60    169.666  1857.60    169.666  0.0000     0.0000   123.457 5.6639  ?       ?       0.000000       5.663886 
1 1 1 -15 -12 6  o 185.073 6.7614  4182.51    303.627  4182.51    303.627  0.0000     0.0000   185.073 6.7614  ?       ?       0.000000       6.761365 
1 1 1 -15 -12 7  o 198.483 4.8328  4795.37    232.748  4465.85    340.164  5085.43    319.150  191.130 7.3349  204.135 6.4434  -13.00513      9.763109 
1 1 1 -15 -12 8  o 212.503 7.3954  5521.23    381.319  4815.15    564.229  6114.85    517.349  196.921 11.864  223.057 9.5588  -26.13657      15.23568 
1 1 1 -15 -12 9  o 187.936 6.6850  4312.40    304.842  4169.12    456.252  4427.93    409.715  183.722 10.276  189.975 8.8883  -6.253113      13.58671 
1 1 1 -15 -12 10 o 149.033 5.8415  2707.75    211.238  2844.21    321.474  2604.07    280.227  152.040 8.7511  145.637 7.9601  6.402054       11.82985 
1 1 1 -15 -12 11 o 94.881  3.9441  1094.61    90.802   1208.44    165.758  1045.81    108.535  99.226  6.9282  92.564  4.8493  6.662094       8.456664 
1 1 1 -15 -12 12 o 127.097 3.7745  1963.77    116.401  2059.11    167.390  1874.49    161.976  130.016 5.3060  124.044 5.3816  5.972641       7.557469 
1 1 1 -15 -12 13 o 94.428  3.4284  1083.60    78.552   1185.34    113.089  988.761    109.192  98.687  4.7228  89.976  5.0215  8.711197       6.893498 
1 1 1 -15 -12 14 o 98.582  3.5577  1181.18    85.100   1246.89    123.019  1120.88    117.846  101.197 5.0100  95.808  5.0875  5.388374       7.140278 
1 1 1 -15 -12 15 o 132.282 3.9094  2127.56    125.479  2253.91    180.416  2009.19    174.634  136.011 5.4668  128.401 5.6053  7.609924       7.829791 
1 1 1 -15 -12 16 o 105.074 3.6460  1341.99    92.955   1449.85    134.406  1243.11    128.697  109.118 5.0764  100.888 5.2756  8.229774       7.321376 
1 1 1 -15 -12 17 o 151.919 5.7032  2813.01    210.232  0.0000     0.0000   2813.01    210.232  ?       ?       151.919 5.7032  0.000000       5.703245 
1 1 1 -15 -12 18 f 190.514 6.5056  4430.00    300.732  0.0000     0.0000   4430.00    300.732  ?       ?       190.514 6.5056  0.000000       6.505599 
1 1 1 -15 -12 19 o 205.848 6.8274  5174.84    341.011  0.0000     0.0000   5174.84    341.011  ?       ?       205.848 6.8274  0.000000       6.827446 
1 1 1 -15 -12 20 f 195.126 4.7724  4634.10    225.950  4873.09    322.608  4403.98    316.560  199.790 6.6548  189.891 6.8705  9.898987       9.565070 
1 1 1 -15 -12 21 o 202.521 4.8579  4992.60    238.717  5054.96    340.123  4932.06    335.125  203.438 6.8903  200.953 6.8730  2.484787       9.732185 
1 1 1 -15 -12 22 o 139.320 5.5308  2365.10    186.967  2620.20    252.478  2055.34    278.215  146.436 7.1058  129.130 8.9344  17.30533       11.41563 
1 1 1 -15 -12 23 o 256.946 8.0772  8084.24    503.577  8478.21    697.117  7654.32    728.232  262.117 10.961  248.611 12.072  13.50694       16.30579 
1 1 1 -15 -12 24 o 51.364  5.2242  324.610    64.203   403.264    81.662   197.303    103.893  57.201  5.9718  39.351  10.630  17.85026       12.19258 
1 1 1 -15 -12 25 o 93.267  3.6494  1057.37    82.588   1228.37    117.658  891.282    115.956  100.454 4.8271  85.333  5.6320  15.12132       7.417617 
1 1 1 -15 -12 26 o 196.703 4.7841  4709.88    228.339  4616.17    325.172  4801.03    320.713  194.387 6.8942  198.285 6.6659  -3.898666      9.589821 
1 1 1 -15 -12 27 o 52.050  4.0539  331.470    50.795   236.743    71.062   430.434    72.633   43.485  6.9703  59.233  5.1035  -15.74730      8.638969 
1 1 1 -15 -12 28 o 80.053  3.7894  779.180    73.607   766.711    100.503  793.607    108.102  79.157  5.2627  80.500  5.5687  -1.342178      7.661995 
1 1 1 -15 -12 29 o 54.132  4.1488  358.532    54.078   373.071    71.642   339.277    82.446   55.063  5.4330  52.291  6.6483  2.771980       8.585924 
1 1 1 -15 -12 30 o 47.927  8.2656  289.511    92.648   271.569    136.332  304.908    126.292  45.944  12.072  48.730  10.948  -2.786301      16.29725 
1 1 1 -15 -12 31 o 194.748 7.2233  4641.89    341.331  4015.60    509.961  5150.18    459.415  179.482 11.775  204.561 9.2559  -25.07886      14.97754 
1 1 1 -15 -12 32 o 164.105 6.5661  3292.38    261.451  3003.49    396.228  3515.16    347.954  155.461 10.567  168.920 8.5168  -13.45915      13.57184 
1 1 1 -15 -12 33 o 92.782  4.4036  1048.26    99.136   1033.29    120.258  1080.01    175.131  91.872  5.4187  93.497  7.7907  -1.624252      9.489803 
1 1 1 -15 -12 34 o 109.804 3.8838  1467.34    103.476  1439.85    144.307  1496.43    148.454  108.463 5.5013  110.710 5.5264  -2.246605      7.797801 
1 1 1 -15 -12 35 o 58.809  4.2025  423.420    59.573   496.109    78.886   326.947    90.880   63.547  5.1607  51.046  7.5665  12.50034       9.158834 
1 1 1 -15 -12 36 o 99.414  3.7313  1203.38    90.006   1230.67    125.248  1174.25    129.430  100.238 5.1672  97.851  5.4733  2.387596       7.527095 
1 1 1 -15 -12 37 o 132.417 4.0544  2137.63    130.266  1928.26    184.340  2346.47    184.109  125.391 6.0588  138.457 5.4802  -13.06647      8.169569 
1 1 1 -15 -12 38 o 29.717  5.8854  112.093    40.937   83.940     54.160   149.612    62.523   25.951  7.8961  34.119  7.7311  -8.167654      11.05072 
1 1 1 -15 -12 39 o 49.647  4.3683  303.489    52.086   264.884    68.979   354.701    79.448   45.957  6.3559  53.324  6.2595  -7.366108      8.920710 
1 1 1 -15 -12 40 o 117.430 3.9902  1684.52    113.695  1698.47    161.084  1670.67    160.497  117.512 5.6494  116.539 5.6759  0.9730072      8.008232 
1 1 1 -15 -12 41 o 13.187  5.6604  -1.6502    32.512   -50.7455   42.886   64.696     49.854   11.808  5.5957  23.208  7.6408  -11.39998      9.470675 
1 1 1 -15 -12 42 o 34.859  4.9562  152.230    40.740   115.870    55.392   195.075    60.129   29.877  7.6176  39.153  6.5614  -9.276548      10.05385 
1 1 1 -15 -12 43 o 32.088  6.7023  132.726    50.499   90.529     59.540   240.895    95.327   26.754  8.3036  42.688  9.4529  -15.93343      12.58202 
1 1 1 -15 -12 44 f 71.320  4.9369  629.560    84.909   595.738    106.406  688.848    140.882  68.890  6.4404  73.469  8.0338  -4.579010      10.29661 
1 1 1 -15 -12 45 o 43.520  4.3649  234.995    45.472   268.139    62.475   197.659    66.309   46.180  5.6963  39.103  7.2559  7.076996       9.224727 
1 1 1 -15 -12 46 o 61.130  4.2538  461.336    62.702   417.858    90.267   501.875    87.161   57.464  6.5933  63.339  5.7335  -5.875057      8.737540 
1 1 1 -15 -12 47 o 47.918  4.7531  285.845    54.534   240.073    78.781   327.955    75.564   42.926  7.8532  50.915  6.2476  -7.989624      10.03516 
1 1 1 -15 -12 48 o 13.929  6.6556  -80.8779   63.235   -67.3750   72.421   -124.2076  129.731  15.893  7.4508  20.780  9.8130  -4.887083      12.32112 
1 1 1 -15 -12 49 o 21.251  8.4832  33.933     65.974   -112.0453  136.023  78.837     75.441   21.742  10.199  26.095  9.3667  -4.353405      13.84733 
1 1 1 -15 -12 50 o 30.619  8.8422  124.887    69.365   -15.2269   147.755  164.497    78.561   26.233  11.641  34.904  9.1606  -8.670330      14.81310 
1 1 1 -15 -12 51 o 12.844  5.7437  -13.8639   36.695   -22.5205   45.558   2.1251     61.916   13.886  6.2880  18.170  7.8057  -4.283625      10.02337 
1 1 1 -15 -12 52 o 60.397  4.5315  454.539    65.924   398.713    86.340   532.589    102.088  55.767  6.5028  64.487  6.6182  -8.720009      9.278274 
1 1 1 -15 -12 53 o 27.727  6.8888  102.019    46.141   102.268    54.941   101.423    84.996   27.654  7.8322  28.270  9.9639  -0.6156673     12.67371 
1 1 1 -15 -12 54 o 32.544  6.4748  139.299    49.329   116.160    59.491   190.217    88.249   29.278  8.1006  36.809  9.7324  -7.531023      12.66254 
1 1 1 -15 -12 55 o 14.336  6.2957  -6.7350    42.157   -10.6581   48.274   5.8703     86.531   15.065  6.6709  21.060  9.1376  -5.995710      11.31356 
1 1 1 -15 -12 56 o 40.832  5.6756  214.898    54.710   190.325    66.820   264.875    95.293   37.552  7.5943  43.498  9.3100  -5.945179      12.01458 
1 1 1 -15 -12 57 o 10.281  4.9238  -46.3318   35.046   -42.8115   36.620   -84.6594   120.831  10.802  5.1343  20.460  9.6023  -9.657795      10.88873 
1 1 1 -15 -12 58 o 43.401  6.1594  245.083    63.043   277.210    68.942   81.067     155.773  46.118  6.3277  29.840  12.582  16.27824       14.08389 
1 1 1 -15 -12 59 o 22.968  6.6230  69.850     38.942   116.709    43.310   -127.9296  88.977   29.710  6.2080  15.603  7.5649  14.10661       9.786001 
1 1 1 -15 -12 60 o 15.795  6.3194  18.302     36.699   21.216     40.479   4.8531     86.970   16.649  6.6453  20.941  9.1230  -4.291506      11.28667 
1 1 1 -15 -12 61 o 27.652  11.053  83.548     112.164  249.955    262.094  46.238     124.103  39.524  16.470  26.196  11.147  13.32795       19.88719 
1 1 1 -15 -12 62 o 31.559  10.896  143.269    101.367  267.926    345.792  131.549    106.025  40.000  17.776  30.665  11.092  9.335537       20.95288 
1 1 1 -15 -11 1  o 129.081 5.3976  2029.84    169.055  1831.67    250.420  2195.78    229.152  121.956 8.5160  133.872 7.0797  -11.91557      11.07453 
1 1 1 -15 -11 2  o 139.428 5.5369  2368.73    187.319  2159.66    275.226  2549.15    255.671  132.457 8.6102  144.225 7.3301  -11.76762      11.30779 
1 1 1 -15 -11 3  o 52.149  3.5200  332.009    44.280   310.543    67.378   348.329    58.749   50.171  5.6321  53.309  4.5865  -3.138206      7.263387 
1 1 1 -15 -11 4  o 236.955 7.8470  6870.83    451.162  6870.83    451.162  0.0000     0.0000   236.955 7.8470  ?       ?       0.000000       7.846970 
1 1 1 -15 -11 5  o 120.048 5.6320  1756.21    164.052  1756.21    164.052  0.0000     0.0000   120.048 5.6320  ?       ?       0.000000       5.631971 
1 1 1 -15 -11 6  o 147.172 6.0242  2641.16    215.122  2641.16    215.122  0.0000     0.0000   147.172 6.0242  ?       ?       0.000000       6.024156 
1 1 1 -15 -11 7  f 176.734 5.2590  3804.21    225.520  3699.01    283.090  3986.93    373.096  174.062 6.7028  180.359 8.5255  -6.296951      10.84486 
1 1 1 -15 -11 8  o 242.094 7.9280  7173.61    465.703  6856.91    685.754  7444.69    634.443  235.044 12.065  245.761 10.639  -10.71729      16.08592 
1 1 1 -15 -11 9  o 180.429 6.4328  3972.70    281.622  4196.60    424.016  3795.97    376.715  184.574 9.5000  175.694 8.8653  8.880508       12.99399 
1 1 1 -15 -11 10 o 119.040 5.4948  1726.56    158.711  1537.41    247.456  1858.75    206.863  111.531 9.2269  123.164 6.9505  -11.63282      11.55186 
1 1 1 -15 -11 11 o 144.820 3.9737  2550.15    139.634  2657.08    200.726  2449.89    194.371  147.661 5.6024  141.782 5.6500  5.879349       7.956702 
1 1 1 -15 -11 12 o 56.102  3.3725  383.838    45.695   357.607    65.751   408.342    63.550   53.956  5.0821  57.750  4.5726  -3.794098      6.836429 
1 1 1 -15 -11 13 o 92.751  3.4309  1045.44    77.213   1061.76    111.172  1030.22    107.323  93.260  4.9304  91.872  4.8314  1.388229       6.902973 
1 1 1 -15 -11 14 f 62.574  3.6016  477.486    54.452   509.996    79.946   449.352    74.370   64.511  5.1503  60.533  5.1112  3.977459       7.256039 
1 1 1 -15 -11 15 o 154.011 4.2048  2884.88    157.130  3011.32    225.299  2765.14    219.256  157.158 5.9083  150.585 6.0008  6.572693       8.421213 
1 1 1 -15 -11 16 o 121.321 5.2481  1792.67    154.490  0.0000     0.0000   1792.67    154.490  ?       ?       121.321 5.2481  0.000000       5.248076 
1 1 1 -15 -11 17 o 184.153 6.3537  4137.77    283.902  0.0000     0.0000   4137.77    283.902  ?       ?       184.153 6.3537  0.000000       6.353680 
1 1 1 -15 -11 18 o 253.554 7.9471  7869.11    488.925  0.0000     0.0000   7869.11    488.925  ?       ?       253.554 7.9471  0.000000       7.947077 
1 1 1 -15 -11 19 o 174.447 4.4538  3702.30    188.521  3979.74    270.524  3440.35    262.859  180.634 6.1722  167.906 6.4520  12.72801       8.928859 
1 1 1 -15 -11 20 o 150.559 4.0874  2756.53    149.320  2736.21    213.058  2776.13    209.332  149.818 5.8610  150.924 5.7162  -1.106598      8.186977 
1 1 1 -15 -11 21 o 123.595 3.7927  1857.00    113.740  1885.00    161.999  1829.78    159.730  124.398 5.3670  122.562 5.3711  1.835991       7.593035 
1 1 1 -15 -11 22 f 237.408 7.5605  6892.75    435.521  6952.87    600.085  6825.83    633.077  237.597 10.409  235.178 11.094  2.419708       15.21276 
1 1 1 -15 -11 23 o 49.259  5.2815  298.887    62.142   363.255    79.668   198.876    99.305   54.231  6.1640  39.471  10.270  14.75999       11.97813 
1 1 1 -15 -11 24 o 136.238 5.4692  2261.30    180.793  2284.54    241.094  2231.45    273.279  136.520 7.3047  134.697 8.4034  1.823700       11.13447 
1 1 1 -15 -11 25 o 125.940 3.8771  1928.37    118.478  2012.30    169.326  1847.87    165.833  128.520 5.4299  123.146 5.5500  5.374176       7.764376 
1 1 1 -15 -11 26 o 141.210 4.0876  2424.99    140.053  2343.81    199.663  2503.63    196.505  138.642 5.9353  143.325 5.6505  -4.682831      8.194854 
1 1 1 -15 -11 27 o 111.090 3.6798  1500.19    99.188   1486.89    141.843  1512.92    138.755  110.480 5.2913  111.457 5.1307  -0.9763794     7.370324 
1 1 1 -15 -11 28 f 103.363 3.8195  1299.00    95.794   1224.82    132.376  1380.56    138.799  100.106 5.4706  106.308 5.3987  -6.201729      7.685857 
1 1 1 -15 -11 29 f 85.757  3.8528  894.252    80.169   899.651    111.194  888.408    115.691  85.757  5.3708  85.183  5.6291  0.5744629      7.780257 
1 1 1 -15 -11 30 f 160.518 6.5400  3147.19    254.722  2783.51    384.130  3432.60    340.301  149.772 10.639  167.063 8.4221  -17.29059      13.56941 
1 1 1 -15 -11 31 o 90.307  6.1494  1000.16    133.945  893.863    202.516  1082.82    178.586  84.560  10.068  93.660  7.9328  -9.100456      12.81797 
1 1 1 -15 -11 32 o 170.577 6.8481  3559.15    283.433  2938.31    428.849  4040.67    377.680  153.409 11.607  181.326 8.5842  -27.91631      14.43634 
1 1 1 -15 -11 33 o 90.896  3.8747  1005.21    85.457   908.019    117.770  1113.30    124.194  86.068  5.6711  95.383  5.3882  -9.314957      7.822697 
1 1 1 -15 -11 34 o 173.795 4.5667  3680.20    192.576  3654.96    273.542  3704.99    271.160  172.814 6.5235  174.017 6.4220  -1.202133      9.154119 
1 1 1 -15 -11 35 o 42.040  4.7740  218.264    47.834   185.168    61.117   270.590    76.848   38.307  6.8256  46.459  7.0374  -8.152283      9.803789 
1 1 1 -15 -11 36 o 158.854 4.4045  3076.88    169.768  3023.07    241.345  3129.58    238.850  157.039 6.3338  159.827 6.1590  -2.787262      8.834654 
1 1 1 -15 -11 37 o 99.715  3.8201  1211.51    92.428   1267.66    130.172  1154.42    131.260  101.664 5.2953  96.940  5.6043  4.723633       7.710304 
1 1 1 -15 -11 38 o 65.910  3.8275  531.394    60.947   560.623    85.881   501.736    86.507   67.459  5.2892  63.724  5.6536  3.735306       7.741985 
1 1 1 -15 -11 39 o 51.717  4.0811  328.561    50.796   326.794    70.343   330.488    73.430   51.266  5.7542  51.507  5.9871  -0.2411079     8.304005 
1 1 1 -15 -11 40 o 19.012  6.4375  41.628     35.349   -12.4121   47.004   111.986    53.632   15.031  6.6228  29.466  7.4863  -14.43523      9.995344 
1 1 1 -15 -11 41 o 105.000 3.8781  1347.35    98.803   1330.25    140.348  1364.15    139.117  103.780 5.5941  105.138 5.4722  -1.357391      7.825534 
1 1 1 -15 -11 42 o 54.716  4.0320  368.334    53.152   336.531    73.978   402.269    76.419   51.843  5.9913  56.838  5.6145  -4.995075      8.210852 
1 1 1 -15 -11 43 o 44.916  5.5840  252.870    59.544   247.926    72.249   263.338    105.132  44.080  6.9882  44.502  9.9822  -0.4223633     12.18519 
1 1 1 -15 -11 44 o 61.814  5.0612  474.129    75.246   474.351    93.122   473.713    127.723  61.445  6.3370  60.393  8.9902  1.052231       10.99910 
1 1 1 -15 -11 45 o 36.115  4.9098  163.614    41.909   162.911    56.875   164.449    61.990   35.531  6.8453  35.547  7.4266  -0.1523209E-01 10.10010 
1 1 1 -15 -11 46 o 28.158  6.7490  103.102    45.510   108.097    65.639   98.477     63.156   28.861  8.6729  27.694  8.5450  1.167175       12.17523 
1 1 1 -15 -11 47 o 55.183  4.4402  377.120    58.950   390.019    84.809   365.061    81.999   55.530  6.4123  53.699  6.4206  1.830460       9.074224 
1 1 1 -15 -11 48 o 87.608  5.0568  952.602    107.036  759.117    225.557  1008.84    121.600  73.636  13.104  89.939  5.5999  -16.30285      14.25079 
1 1 1 -15 -11 49 o 46.960  8.8587  292.542    97.238   347.542    197.319  274.901    111.750  48.401  15.132  44.820  10.465  3.581120       18.39846 
1 1 1 -15 -11 50 o 41.661  10.494  239.552    106.024  326.737    228.363  215.595    119.707  46.560  16.338  39.271  11.692  7.289463       20.09107 
1 1 1 -15 -11 51 o 69.727  4.4896  603.805    75.555   615.985    106.439  591.434    107.267  69.630  6.3706  68.121  6.5711  1.508698       9.152283 
1 1 1 -15 -11 52 o 42.641  5.6807  231.732    57.313   222.954    75.407   243.738    88.192   40.959  7.8735  42.430  8.8527  -1.470554      11.84742 
1 1 1 -15 -11 53 o 24.282  7.2749  77.253     46.235   78.796     54.954   73.515     85.543   24.726  8.0161  25.888  9.8468  -1.162075      12.69709 
1 1 1 -15 -11 54 f 56.166  4.7537  396.102    64.176   371.682    82.146   434.353    102.810  53.652  6.4387  57.428  7.5620  -3.776413      9.931842 
1 1 1 -15 -11 55 o 24.853  7.3823  82.146     47.761   45.238     56.393   175.791    89.827   20.967  7.9902  35.152  10.035  -14.18455      12.82778 
1 1 1 -15 -11 56 o 41.243  5.5263  218.520    53.913   243.955    65.426   164.717    95.158   43.209  6.4369  33.878  10.495  9.331585       12.31150 
1 1 1 -15 -11 57 o 35.345  7.0537  167.101    58.374   159.508    63.834   205.877    144.252  34.174  7.8619  36.895  12.983  -2.721317      15.17785 
1 1 1 -15 -11 58 o 42.575  6.4004  237.028    64.073   212.443    70.829   347.775    150.327  39.683  7.6333  47.318  12.789  -7.635036      14.89358 
1 1 1 -15 -11 59 o 23.700  7.0015  74.516     43.053   78.906     49.812   61.552     85.598   24.406  7.5984  24.633  9.7163  -0.2268772     12.33463 
1 1 1 -15 -11 60 o 21.619  7.1140  59.588     43.219   23.863     51.343   146.444    80.057   18.308  7.4217  32.197  9.5563  -13.88845      12.09973 
1 1 1 -15 -11 61 o 36.644  11.197  200.191    108.737  497.157    374.324  172.822    113.637  47.437  19.718  34.249  11.542  13.18789       22.84753 
1 1 1 -15 -11 62 o 28.302  10.612  104.412    98.543   85.784     372.756  105.812    102.178  36.090  16.915  28.536  10.784  7.553885       20.05978 
1 1 1 -15 -10 1  o 116.422 5.1187  1650.38    144.596  1513.75    213.904  1765.35    196.218  110.927 8.0009  120.059 6.7632  -9.131256      10.47645 
1 1 1 -15 -10 2  o 288.165 8.8687  10184.38   620.105  9461.44    888.041  10872.34   866.284  275.911 13.265  296.389 12.046  -20.47791      17.91800 
1 1 1 -15 -10 3  o 183.337 6.7327  4103.54    299.503  4103.54    299.503  0.0000     0.0000   183.337 6.7327  ?       ?       0.000000       6.732662 
1 1 1 -15 -10 4  o 59.723  5.2582  437.715    75.421   437.715    75.421   0.0000     0.0000   59.723  5.2582  ?       ?       0.000000       5.258247 
1 1 1 -15 -10 5  o 97.009  5.4032  1149.88    126.678  1149.88    126.678  0.0000     0.0000   97.009  5.4032  ?       ?       0.000000       5.403180 
1 1 1 -15 -10 6  o 115.507 3.7418  1621.79    104.870  1558.90    156.038  1673.60    141.624  112.956 5.7118  117.249 4.9781  -4.293312      7.576650 
1 1 1 -15 -10 7  o 120.817 5.4280  1778.20    159.124  1806.45    249.255  1758.77    206.733  121.116 8.5363  119.766 7.1466  1.349609       11.13289 
1 1 1 -15 -10 8  o 173.909 6.3816  3690.29    269.288  3603.74    405.664  3758.48    360.062  170.921 9.8228  175.128 8.4734  -4.206833      12.97254 
1 1 1 -15 -10 9  o 82.859  5.0491  839.014    101.028  934.278    161.546  777.825    129.469  87.054  7.7283  79.530  6.7737  7.523521       10.27669 
1 1 1 -15 -10 10 o 34.704  4.7502  149.286    38.949   218.368    89.497   133.145    43.261   41.387  9.1548  32.588  5.6774  8.799244       10.77235 
1 1 1 -15 -10 11 o 235.698 5.3548  6767.19    306.243  7004.96    436.978  6537.69    429.310  239.331 7.5248  231.179 7.6535  8.151840       10.73305 
1 1 1 -15 -10 12 o 38.844  3.8826  185.265    36.104   152.511    52.501   214.653    49.729   34.805  6.4543  41.692  5.0165  -6.886154      8.174541 
1 1 1 -15 -10 13 o 40.039  3.9446  196.800    37.824   230.557    54.751   165.981    52.315   43.182  5.3393  36.399  6.1419  6.782837       8.138254 
1 1 1 -15 -10 14 o 253.777 5.7664  7850.20    355.075  8196.90    506.263  7514.54    498.140  258.741 8.0639  247.673 8.2891  11.06764       11.56445 
1 1 1 -15 -10 15 o 29.258  6.9628  108.752    48.716   0.0000     0.0000   108.752    48.716   ?       ?       29.258  6.9628  0.000000       6.962849 
1 1 1 -15 -10 16 o 80.592  4.9063  793.570    95.485   0.0000     0.0000   793.570    95.485   ?       ?       80.592  4.9063  0.000000       4.906281 
1 1 1 -15 -10 17 o 183.921 6.3752  4127.37    284.504  0.0000     0.0000   4127.37    284.504  ?       ?       183.921 6.3752  0.000000       6.375175 
1 1 1 -15 -10 18 o 128.186 4.0150  1998.01    124.879  2163.25    181.550  1849.62    172.043  133.239 5.6157  123.188 5.7558  10.05042       8.041442 
1 1 1 -15 -10 19 o 107.652 3.6366  1408.57    94.991   1347.96    135.489  1467.15    133.215  105.066 5.3322  109.778 5.0012  -4.711952      7.310527 
1 1 1 -15 -10 20 o 84.514  3.8924  868.377    79.819   733.921    128.527  952.791    101.838  77.216  6.9339  88.353  4.7680  -11.13708      8.415044 
1 1 1 -15 -10 21 f 74.197  3.9502  671.219    70.860   760.422    112.979  613.374    90.979   78.755  5.9563  70.766  5.3378  7.989189       7.998118 
1 1 1 -15 -10 22 o 189.237 6.4617  4369.69    296.701  4287.32    403.831  4466.29    437.371  186.963 8.9018  190.694 9.4525  -3.730484      12.98434 
1 1 1 -15 -10 23 o 287.261 8.7364  10117.06   608.939  9966.49    843.177  10281.21   880.364  283.685 12.250  287.959 12.600  -4.274231      17.57294 
1 1 1 -15 -10 24 o 114.751 5.1061  1603.32    142.171  1460.88    187.794  1794.58    217.604  109.120 7.1320  120.932 7.4522  -11.81187      10.31504 
1 1 1 -15 -10 25 o 221.778 5.2408  5990.17    282.021  5835.58    401.064  6141.38    396.649  218.443 7.5668  224.157 7.2927  -5.714005      10.50905 
1 1 1 -15 -10 26 f 195.883 4.7382  4669.90    225.200  4556.81    320.733  4779.86    316.276  193.163 6.8431  197.882 6.5871  -4.719101      9.498343 
1 1 1 -15 -10 27 o 161.077 4.3948  3156.54    171.766  3275.70    244.605  3040.63    241.257  163.871 6.1518  157.861 6.2986  6.010086       8.804314 
1 1 1 -15 -10 28 o 131.885 3.9798  2115.13    127.357  2067.13    178.699  2164.67    181.555  130.225 5.6554  133.267 5.6146  -3.041504      7.969150 
1 1 1 -15 -10 29 o 73.672  3.8753  661.786    69.030   636.931    92.730   692.678    103.382  72.106  5.3380  75.162  5.7114  -3.055664      7.817603 
1 1 1 -15 -10 30 o 28.259  9.6354  90.751     79.199   77.946     119.743  100.709    105.594  30.277  11.618  30.899  11.083  -0.6218014     16.05612 
1 1 1 -15 -10 31 o 148.758 6.4094  2702.84    231.348  2369.43    353.683  2952.18    305.855  138.085 10.638  154.938 8.1645  -16.85233      13.40993 
1 1 1 -15 -10 32 o 148.298 6.2490  2686.28    224.860  2579.00    349.900  2761.76    293.487  144.200 10.063  149.811 8.1040  -5.610916      12.92082 
1 1 1 -15 -10 33 o 134.435 4.0519  2199.34    132.170  2219.58    188.071  2179.60    185.784  134.842 5.7482  133.625 5.7300  1.217422       8.116336 
1 1 1 -15 -10 34 o 60.674  4.0041  450.029    58.618   437.061    81.500   463.926    84.370   59.555  5.7100  61.370  5.7323  -1.815350      8.090933 
1 1 1 -15 -10 35 o 45.362  4.3470  252.988    47.260   336.435    64.701   157.544    69.196   52.250  5.1713  35.074  8.2661  17.17608       9.750401 
1 1 1 -15 -10 36 o 167.195 4.5087  3409.34    182.908  3411.59    260.619  3407.15    256.767  166.794 6.4396  166.711 6.3476  0.8335876E-01  9.042177 
1 1 1 -15 -10 37 o 27.327  5.9961  95.080     38.666   155.105    52.506   23.960     57.152   35.010  6.4173  19.688  7.8830  15.32205       10.16479 
1 1 1 -15 -10 38 o 23.331  6.4116  69.051     37.417   89.716     49.106   40.445     57.775   26.551  7.3645  21.302  8.0947  5.249325       10.94350 
1 1 1 -15 -10 39 o 63.454  4.1167  493.712    63.041   504.816    96.267   485.375    83.414   63.720  6.3093  62.644  5.5450  1.076340       8.399723 
1 1 1 -15 -10 40 o 98.110  3.8159  1175.24    90.839   1207.89    129.125  1143.24    127.818  99.010  5.3952  96.289  5.4936  2.721130       7.699852 
1 1 1 -15 -10 41 o 67.402  3.8135  556.828    62.112   537.116    87.772   576.600    87.908   65.819  5.5477  68.261  5.3503  -2.442039      7.707316 
1 1 1 -15 -10 42 o 60.017  5.2345  446.713    75.464   448.310    93.920   443.805    126.764  59.752  6.5875  58.530  9.2320  1.222111       11.34130 
1 1 1 -15 -10 43 o 63.338  5.1183  497.341    77.988   537.505    96.481   421.631    132.466  65.564  6.1362  56.587  10.014  8.976616       11.74460 
1 1 1 -15 -10 44 o 23.076  7.1523  66.756     44.190   111.773    51.852   -52.7042   84.467   29.295  7.3165  18.302  8.3919  10.99294       11.13354 
1 1 1 -15 -10 45 o 32.781  5.9388  137.321    45.498   131.268    67.254   142.430    61.782   31.579  8.5620  32.955  7.8402  -1.376825      11.60929 
1 1 1 -15 -10 46 o 50.989  4.9498  323.716    60.467   342.441    83.483   303.052    87.698   51.893  6.7934  48.447  7.7194  3.445808       10.28291 
1 1 1 -15 -10 47 o 71.760  4.3911  635.870    76.089   584.435    107.867  686.811    107.348  68.027  6.6187  74.030  6.0285  -6.002625      8.952661 
1 1 1 -15 -10 48 f 111.458 6.6850  1564.58    179.956  1393.64    327.673  1638.41    215.336  99.355  13.979  113.264 7.8845  -13.90943      16.04901 
1 1 1 -15 -10 49 o 51.807  9.0204  355.642    109.271  562.353    216.343  284.849    126.607  61.786  14.653  45.189  11.514  16.59645       18.63532 
1 1 1 -15 -10 50 o 64.509  4.6419  517.204    72.173   457.556    100.643  580.353    103.555  59.712  7.0846  67.661  6.3831  -7.949215      9.536016 
1 1 1 -15 -10 51 o 27.743  7.8949  101.949    55.685   81.592     76.802   124.512    80.856   26.251  9.4478  30.579  9.7036  -4.328678      13.54332 
1 1 1 -15 -10 52 o 33.465  6.9282  147.518    54.404   98.648     73.988   205.046    80.275   27.675  9.3137  38.880  8.7238  -11.20448      12.76122 
1 1 1 -15 -10 53 o 17.827  7.2758  19.361     49.752   7.5672     65.265   35.723     76.870   18.876  8.0590  22.216  9.0529  -3.339937      12.12033 
1 1 1 -15 -10 54 o 43.145  6.2016  240.852    63.057   204.873    84.454   286.177    94.791   38.415  9.1848  45.758  8.8576  -7.343323      12.76005 
1 1 1 -15 -10 55 o 57.137  4.9711  412.059    68.231   379.315    88.168   460.945    107.730  53.852  6.9067  58.931  7.7196  -5.079422      10.35835 
1 1 1 -15 -10 56 o 38.758  6.1187  195.713    55.633   185.817    66.709   218.319    100.820  37.066  7.6702  38.804  10.467  -1.738728      12.97662 
1 1 1 -15 -10 57 o 38.694  6.8901  198.572    62.318   192.068    67.545   235.793    161.572  37.690  7.6472  38.890  13.734  -1.199894      15.71979 
1 1 1 -15 -10 58 o 32.747  7.2403  144.440    56.002   139.652    60.726   171.673    144.815  31.957  7.8810  34.661  12.891  -2.703732      15.10903 
1 1 1 -15 -10 59 o 15.655  6.4717  12.165     40.011   16.616     45.989   -1.6976    81.153   16.957  6.9664  19.982  8.7559  -3.025068      11.18917 
1 1 1 -15 -10 60 o 35.764  6.0820  167.279    50.889   162.284    61.429   178.208    90.858   34.608  7.5295  35.188  10.108  -0.5800476     12.60397 
1 1 1 -15 -10 61 o 29.292  11.176  109.437    110.407  600.484    373.556  62.436     115.571  50.801  20.215  26.505  10.982  24.29525       23.00541 
1 1 1 -15 -10 62 o 30.652  14.938  -210.9548  359.263  -210.9548  359.263  0.0000     0.0000   30.652  14.938  ?       ?       0.000000       14.93755 
1 1 1 -15 -9  1  o 143.318 5.5618  2502.51    193.412  2272.69    282.366  2705.65    265.469  135.915 8.6065  148.787 7.3533  -12.87122      11.32005 
1 1 1 -15 -9  2  o 121.741 7.5587  1818.96    222.176  1818.96    222.176  0.0000     0.0000   121.741 7.5587  ?       ?       0.000000       7.558710 
1 1 1 -15 -9  3  o 71.205  5.2235  620.694    89.618   620.694    89.618   0.0000     0.0000   71.205  5.2235  ?       ?       0.000000       5.223532 
1 1 1 -15 -9  4  o 65.498  5.2775  525.812    83.161   525.812    83.161   0.0000     0.0000   65.498  5.2775  ?       ?       0.000000       5.277457 
1 1 1 -15 -9  5  o 47.856  3.7134  280.048    42.782   282.004    63.783   278.448    57.682   47.785  5.6076  47.555  5.0774  0.2301102      7.564763 
1 1 1 -15 -9  6  o 36.837  3.5931  166.489    31.707   247.667    46.542   96.185     43.313   44.918  4.3238  27.527  6.5751  17.39060       7.869344 
1 1 1 -15 -9  7  o 211.605 7.0524  5470.19    362.099  5798.24    538.940  5200.26    488.883  217.029 10.234  205.658 9.7971  11.37140       14.16767 
1 1 1 -15 -9  8  o 49.940  5.5193  307.530    65.762   237.049    116.080  340.841    79.804   43.028  11.058  52.471  6.4008  -9.442860      12.77713 
1 1 1 -15 -9  9  o 252.614 7.9933  7811.19    489.943  8156.69    719.638  7512.67    668.909  256.907 11.544  246.699 11.175  10.20824       16.06700 
1 1 1 -15 -9  10 o 348.907 7.3178  14879.59   619.522  15310.30   880.064  14456.48   872.262  352.646 10.285  342.570 10.494  10.07632       14.69370 
1 1 1 -15 -9  11 o 23.577  5.0656  70.271     28.115   81.218     41.530   61.010     38.199   25.340  6.6651  22.219  6.6026  3.121496       9.381791 
1 1 1 -15 -9  12 o 30.362  4.4305  114.490    31.678   102.276    45.810   125.683    43.855   28.381  6.7506  31.600  5.9376  -3.219122      8.990320 
1 1 1 -15 -9  13 o 18.363  5.9953  39.511     30.717   61.575     46.773   22.779     40.732   22.814  7.3953  17.357  6.7444  5.457726       10.00884 
1 1 1 -15 -9  14 o 361.648 10.595  16116.22   929.712  0.0000     0.0000   16116.22   929.712  ?       ?       361.648 10.595  0.000000       10.59493 
1 1 1 -15 -9  15 o 256.744 7.9268  8067.46    493.813  0.0000     0.0000   8067.46    493.813  ?       ?       256.744 7.9268  0.000000       7.926811 
1 1 1 -15 -9  16 o 54.795  5.2995  369.073    69.579   0.0000     0.0000   369.073    69.579   ?       ?       54.795  5.2995  0.000000       5.299474 
1 1 1 -15 -9  17 o 217.965 5.1168  5784.89    270.615  6157.14    385.859  5424.56    379.631  224.493 7.0837  210.642 7.4277  13.85107       10.26397 
1 1 1 -15 -9  18 o 39.181  4.2962  188.947    40.174   175.118    56.512   203.077    57.122   37.358  6.4686  40.377  6.0140  -3.019127      8.832423 
1 1 1 -15 -9  19 o 44.915  4.0081  247.232    43.223   248.777    61.562   245.732    60.700   44.811  5.7978  44.539  5.7510  0.2722168      8.166326 
1 1 1 -15 -9  20 o 65.057  3.6298  516.008    57.070   530.883    81.493   501.693    79.947   65.832  5.1425  63.979  5.1948  1.853615       7.309701 
1 1 1 -15 -9  21 o 75.511  3.5933  692.976    65.836   682.070    93.565   703.671    92.654   74.663  5.1971  75.858  5.0629  -1.194626      7.255544 
1 1 1 -15 -9  22 o 136.870 5.5680  2282.40    184.916  2432.72    246.937  2090.48    279.012  140.917 7.2465  130.273 8.8798  10.64412       11.46136 
1 1 1 -15 -9  23 o 147.636 5.7152  2656.18    204.734  2672.61    274.183  2635.47    307.800  147.633 7.6806  146.379 8.7054  1.253494       11.60931 
1 1 1 -15 -9  24 o 118.036 5.1996  1696.58    148.918  1569.05    196.501  1868.66    228.251  113.098 7.1980  123.379 7.6624  -10.28100      10.51298 
1 1 1 -15 -9  25 o 120.783 3.8986  1773.60    114.257  1801.09    162.799  1746.92    160.395  121.587 5.5183  119.744 5.5204  1.842453       7.805516 
1 1 1 -15 -9  26 o 171.912 4.5255  3595.75    188.773  3633.58    268.597  3558.83    265.362  172.564 6.4149  170.782 6.4037  1.782455       9.064111 
1 1 1 -15 -9  27 o 86.220  3.7426  903.681    78.298   1043.89    110.963  764.645    110.498  92.466  4.9639  78.990  5.8060  13.47607       7.638713 
1 1 1 -15 -9  28 o 234.772 5.3498  6714.82    304.755  6623.65    433.221  6804.13    428.791  232.663 7.6740  235.858 7.4926  -3.195404      10.72512 
1 1 1 -15 -9  29 o 114.949 3.8668  1606.63    107.850  1583.09    152.792  1630.00    152.256  113.971 5.5251  115.657 5.4255  -1.685760      7.743571 
1 1 1 -15 -9  30 o 55.927  6.5332  387.083    86.986   550.575    147.825  300.485    107.585  66.267  9.4623  48.626  9.4589  17.64102       13.37929 
1 1 1 -15 -9  31 o 92.439  5.8839  1046.67    131.286  732.816    214.338  1235.13    166.090  75.964  12.029  100.285 6.8670  -24.32054      13.85133 
1 1 1 -15 -9  32 o 264.086 8.5296  8567.90    546.562  8481.04    808.068  8641.15    742.055  260.733 12.773  263.824 11.592  -3.090820      17.24876 
1 1 1 -15 -9  33 o 113.000 3.8697  1553.48    106.101  1503.49    150.906  1602.34    149.208  110.854 5.6288  114.616 5.3652  -3.761711      7.776169 
1 1 1 -15 -9  34 f 96.788  3.7507  1139.80    88.085   1072.10    123.769  1209.28    125.389  93.560  5.4759  99.426  5.2157  -5.866104      7.562319 
1 1 1 -15 -9  35 o 12.263  5.5094  -16.4825   34.182   -2.5870    43.875   -37.9402   54.522   15.332  6.5784  14.747  6.7548  0.5853825      9.428762 
1 1 1 -15 -9  36 o 185.338 4.7503  4192.11    213.625  4075.00    304.053  4306.27    300.207  182.142 6.8798  187.330 6.6047  -5.187500      9.536920 
1 1 1 -15 -9  37 o 136.442 4.0810  2269.86    135.107  2274.73    192.257  2265.11    189.905  136.238 5.8159  135.964 5.7564  0.2745361      8.182940 
1 1 1 -15 -9  38 o 59.755  3.9197  437.331    56.518   487.556    79.266   385.394    80.606   62.885  5.2427  55.694  6.0628  7.190506       8.015187 
1 1 1 -15 -9  39 o 91.885  3.8182  1030.15    85.128   1080.84    120.153  979.057    120.626  93.726  5.3051  89.115  5.6072  4.610985       7.719103 
1 1 1 -15 -9  40 o 75.642  3.8252  700.424    69.979   760.342    98.827   640.169    99.104   78.526  5.2165  71.901  5.7281  6.625290       7.747461 
1 1 1 -15 -9  41 o 81.328  3.8098  808.224    75.180   737.784    105.455  881.024    107.207  77.170  5.6717  84.482  5.2559  -7.312721      7.732576 
1 1 1 -15 -9  42 o 102.327 5.1789  1292.20    128.167  1253.08    163.468  1354.62    206.486  100.166 6.7656  103.432 8.2974  -3.266769      10.70607 
1 1 1 -15 -9  43 o 18.891  6.9948  35.484     42.545   26.362     49.512   61.229     83.182   18.751  7.3918  25.379  9.6963  -6.627722      12.19247 
1 1 1 -15 -9  44 f 28.173  7.0952  103.183    48.475   90.165     57.138   136.616    91.569   26.585  8.1150  32.503  10.328  -5.918158      13.13453 
1 1 1 -15 -9  45 o 70.987  4.4854  622.055    76.860   663.788    110.337  582.714    107.129  72.739  6.3142  68.026  6.5722  4.713387       9.113912 
1 1 1 -15 -9  46 o 29.813  7.3777  116.215    53.079   47.156     72.917   194.059    77.415   23.180  9.0191  38.332  8.5418  -15.15230      12.42206 
1 1 1 -15 -9  47 o 50.109  5.2265  313.911    62.611   335.717    88.712   292.269    88.379   51.131  7.3628  47.428  7.9620  3.703568       10.84453 
1 1 1 -15 -9  48 o 42.032  9.9121  239.005    99.448   161.479    220.785  258.738    111.387  38.599  15.480  43.491  10.642  -4.892452      18.78510 
1 1 1 -15 -9  49 o 32.323  10.448  137.764    93.407   -42.8809   216.866  178.910    103.500  30.370  13.739  36.219  10.892  -5.849564      17.53246 
1 1 1 -15 -9  50 o 20.787  7.6751  45.606     51.151   -0.5481    68.049   105.557    77.555   18.831  8.1369  28.684  9.5342  -9.852898      12.53434 
1 1 1 -15 -9  51 o 74.167  4.4288  682.783    79.336   667.567    112.255  697.969    112.141  72.426  6.4554  74.153  6.2920  -1.726822      9.014524 
1 1 1 -15 -9  52 o 59.757  4.9278  447.488    70.813   425.369    99.219   470.452    101.097  57.179  7.3195  60.316  7.0403  -3.137012      10.15586 
1 1 1 -15 -9  53 o 17.589  7.2582  16.203     50.197   -14.8119   69.648   49.728     72.410   17.973  7.9830  22.907  8.9670  -4.934263      12.00567 
1 1 1 -15 -9  54 o 14.088  6.4679  -31.1666   50.391   -47.5860   66.109   -8.3984    77.848   15.659  7.2668  19.311  8.5153  -3.652948      11.19450 
1 1 1 -15 -9  55 o 36.027  6.8418  172.035    57.621   138.641    81.040   206.178    81.944   31.507  9.6726  38.527  8.9387  -7.019596      13.17037 
1 1 1 -15 -9  56 o 18.156  7.3096  24.443     49.438   24.273     63.407   24.708     78.953   19.765  8.1570  21.423  8.9914  -1.657648      12.14012 
1 1 1 -15 -9  57 o 38.280  7.1808  195.640    64.246   231.909    71.097   34.174     150.012  41.702  7.2919  27.474  11.975  14.22740       14.02054 
1 1 1 -15 -9  58 o 19.364  7.1071  41.435     43.761   55.322     46.100   -85.1224   139.165  21.252  7.3473  22.177  10.375  -0.9250984     12.71314 
1 1 1 -15 -9  59 o 52.454  4.9485  347.992    62.238   309.412    80.532   405.210    98.074   48.437  7.0597  55.265  7.5081  -6.827843      10.30586 
1 1 1 -15 -9  60 o 16.670  7.6829  -41.9938   72.037   -694.5959  360.736  -14.8887   73.517   25.888  13.002  18.293  8.1586  7.595173       15.35010 
1 1 1 -15 -9  61 o 57.984  10.173  481.474    137.903  616.776    397.865  463.000    147.017  50.333  20.563  55.923  11.225  -5.589710      23.42678 
1 1 1 -15 -8  1  o 160.392 8.5199  3160.39    330.385  3160.39    330.385  0.0000     0.0000   160.392 8.5199  ?       ?       0.000000       8.519863 
1 1 1 -15 -8  2  o 59.543  5.3362  435.220    76.278   435.220    76.278   0.0000     0.0000   59.543  5.3362  ?       ?       0.000000       5.336225 
1 1 1 -15 -8  3  o 131.718 5.8249  2114.61    186.165  2114.61    186.165  0.0000     0.0000   131.718 5.8249  ?       ?       0.000000       5.824909 
1 1 1 -15 -8  4  o 168.822 4.2150  3466.17    172.658  3131.40    247.509  3783.49    240.973  160.212 6.3670  176.211 5.6360  -15.99883      8.503089 
1 1 1 -15 -8  5  o 105.898 3.5185  1362.86    90.408   1441.66    130.790  1290.77    125.113  108.825 4.9532  102.968 5.0076  5.856323       7.043458 
1 1 1 -15 -8  6  o 105.251 3.5521  1346.31    90.714   1462.19    130.680  1238.54    126.024  109.599 4.9140  100.720 5.1742  8.879036       7.135808 
1 1 1 -15 -8  7  o 102.647 5.2697  1286.54    130.807  1094.44    205.961  1416.41    169.346  94.008  9.1451  107.541 6.5207  -13.53243      11.23175 
1 1 1 -15 -8  8  o 19.351  7.0233  37.512     42.564   29.071     85.236   40.317     49.128   23.624  9.5674  20.438  7.5260  3.185984       12.17270 
1 1 1 -15 -8  9  o 99.767  5.2538  1215.46    126.734  1209.41    204.440  1219.24    161.511  98.981  8.5977  99.719  6.7142  -0.7377167     10.90879 
1 1 1 -15 -8  10 o 376.608 7.7914  17349.89   711.978  18344.37   1010.15  16368.16   1003.66  385.798 10.791  364.118 11.360  21.68085       15.66832 
1 1 1 -15 -8  11 f 409.444 8.4027  20534.23   834.788  21500.21   1183.69  19578.38   1177.47  417.106 11.696  397.707 12.202  19.39957       16.90189 
1 1 1 -15 -8  12 o 412.293 8.4430  20822.93   844.626  22245.71   1197.52  19414.49   1191.47  424.319 11.631  395.908 12.403  28.41080       17.00348 
1 1 1 -15 -8  13 o 385.477 9.2330  18237.08   863.588  20713.80   1482.77  16965.68   1062.37  406.988 15.015  370.439 11.819  36.54843       19.10889 
1 1 1 -15 -8  14 o 94.880  5.0243  1098.96    115.256  0.0000     0.0000   1098.96    115.256  ?       ?       94.880  5.0243  0.000000       5.024303 
1 1 1 -15 -8  15 o 17.211  6.8048  19.639     42.076   0.0000     0.0000   19.639     42.076   ?       ?       17.211  6.8048  0.000000       6.804776 
1 1 1 -15 -8  16 o 111.564 3.8291  1513.09    103.655  1685.49    150.040  1355.68    143.369  117.644 5.2562  105.330 5.6301  12.31371       7.702334 
1 1 1 -15 -8  17 o 108.404 3.8221  1428.57    100.534  1495.30    145.348  1367.36    139.203  110.794 5.4066  105.808 5.4405  4.986382       7.670113 
1 1 1 -15 -8  18 o 109.368 3.6944  1453.91    98.040   1476.36    139.365  1431.91    137.944  110.107 5.2165  108.435 5.2429  1.672226       7.395918 
1 1 1 -15 -8  19 o 161.026 4.2217  3153.45    164.946  3245.00    234.618  3063.97    231.943  163.154 5.9265  158.524 6.0301  4.629776       8.454924 
1 1 1 -15 -8  20 f 142.629 4.6019  2475.14    159.259  2910.15    263.553  2224.94    199.880  154.358 7.0368  135.081 6.0984  19.27731       9.311620 
1 1 1 -15 -8  21 o 60.944  5.1079  455.353    74.837   474.432    95.907   425.651    119.662  62.028  6.4675  58.309  8.7260  3.718575       10.86142 
1 1 1 -15 -8  22 o 168.231 6.1122  3450.96    249.499  3462.04    336.204  3437.37    372.229  168.155 8.2400  167.120 9.2151  1.035645       12.36189 
1 1 1 -15 -8  23 o 210.299 6.9912  5401.04    356.740  5365.34    486.467  5442.57    524.714  208.997 9.5929  210.303 10.283  -1.305939      14.06276 
1 1 1 -15 -8  24 o 196.343 6.7048  4705.57    319.424  4719.14    433.623  4689.46    472.323  196.122 9.1122  195.033 10.015  1.088943       13.53972 
1 1 1 -15 -8  25 o 211.132 5.6630  5431.84    290.112  5386.56    487.216  5456.71    361.108  209.396 9.5894  211.362 7.0412  -1.966507      11.89682 
1 1 1 -15 -8  26 o 190.361 4.7294  4409.96    218.447  4514.65    310.848  4307.80    307.049  192.314 6.6615  187.844 6.7367  4.470505       9.474113 
1 1 1 -15 -8  27 o 191.583 4.7033  4466.87    218.637  4352.99    310.943  4578.23    307.485  188.807 6.7873  193.675 6.5431  -4.867462      9.427642 
1 1 1 -15 -8  28 o 127.022 3.9711  1961.93    122.392  1967.54    174.434  1956.49    171.775  127.055 5.6581  126.705 5.5873  0.3500290      7.951872 
1 1 1 -15 -8  29 o 262.846 5.8904  8425.07    375.676  8307.06    533.774  8540.91    528.832  260.292 8.4515  263.994 8.2558  -3.701874      11.81463 
1 1 1 -15 -8  30 o 71.953  5.8155  635.443    100.663  767.705    171.263  565.634    124.424  78.529  9.1603  67.541  7.7315  10.98766       11.98695 
1 1 1 -15 -8  31 o 30.606  8.8058  117.664    68.909   -138.1938  126.559  225.481    82.155   20.648  9.7328  42.158  8.3269  -21.50992      12.80876 
1 1 1 -15 -8  32 o 141.389 6.1715  2441.32    211.724  2131.14    333.096  2651.60    274.254  130.871 10.580  146.884 7.7222  -16.01288      13.09862 
1 1 1 -15 -8  33 o 281.943 6.2397  9714.53    426.865  9324.09    606.236  10098.46   601.153  275.104 9.0820  286.504 8.6475  -11.40009      12.54041 
1 1 1 -15 -8  34 o 125.008 3.9920  1902.12    121.085  1862.87    172.140  1940.56    170.354  123.494 5.7448  126.068 5.5690  -2.574417      8.001030 
1 1 1 -15 -8  35 o 98.054  3.8537  1170.49    91.686   1023.23    128.753  1321.98    130.594  91.292  5.8431  104.063 5.1720  -12.77022      7.803340 
1 1 1 -15 -8  36 o 172.640 4.5895  3636.27    192.250  3691.19    273.422  3582.58    270.369  173.452 6.4967  170.874 6.5211  2.578094       9.204959 
1 1 1 -15 -8  37 o 28.077  6.0040  100.315    39.664   121.677    53.864   75.009     58.626   30.812  7.3141  25.131  8.2863  5.681807       11.05255 
1 1 1 -15 -8  38 o 99.277  3.8787  1202.05    93.434   1256.28    131.523  1146.79    132.755  101.108 5.3805  96.514  5.6941  4.594086       7.834071 
1 1 1 -15 -8  39 o 115.836 4.0385  1638.50    113.507  1595.21    161.259  1681.00    159.798  113.743 5.8630  116.971 5.6303  -3.228271      8.128611 
1 1 1 -15 -8  40 f 92.439  3.9756  1044.10    89.170   1010.19    125.727  1078.43    126.487  90.399  5.7620  93.459  5.6036  -3.060776      8.037467 
1 1 1 -15 -8  41 o 44.818  4.7901  249.219    51.284   205.174    68.461   305.538    77.415   40.004  7.3229  49.221  6.6524  -9.217316      9.893387 
1 1 1 -15 -8  42 o 130.403 5.6212  2099.43    177.862  2167.66    231.122  2000.35    278.528  131.559 7.2685  125.169 9.2361  6.390656       11.75310 
1 1 1 -15 -8  43 o 137.284 5.7154  2331.83    190.382  2311.25    248.188  2361.25    296.758  135.493 7.5796  135.916 9.0502  -0.4228668     11.80491 
1 1 1 -15 -8  44 o 36.862  5.4857  171.500    47.570   146.217    62.360   206.689    73.569   33.424  7.8270  39.849  7.8880  -6.424919      11.11227 
1 1 1 -15 -8  45 o 33.434  7.0070  144.991    55.025   132.962    75.997   158.247    79.776   31.802  9.2759  34.511  9.3117  -2.708755      13.14344 
1 1 1 -15 -8  46 o 71.877  4.4455  637.867    77.151   574.376    107.727  704.720    110.543  67.456  6.6690  74.995  6.1284  -7.538994      9.057213 
1 1 1 -15 -8  47 o 32.143  7.1180  134.787    54.050   127.098    74.120   143.520    78.990   31.069  9.1889  32.863  9.4200  -1.793472      13.15948 
1 1 1 -15 -8  48 o 18.251  8.2931  -39.5979   80.090   -340.5023  183.783  30.944     88.984   20.846  10.266  23.433  9.6661  -2.586784      14.10026 
1 1 1 -15 -8  49 o 83.759  6.9909  892.065    140.781  438.181    267.948  1065.14    165.458  52.576  17.724  91.237  7.5416  -38.66050      19.26179 
1 1 1 -15 -8  50 o 20.237  7.5876  41.357     50.372   45.958     67.991   35.760     74.997   22.407  8.7118  22.249  8.9870  0.1586132      12.51640 
1 1 1 -15 -8  51 o 59.553  4.8666  443.396    69.707   436.696    96.496   450.708    100.807  58.215  6.9701  59.047  7.1841  -0.8326683     10.00963 
1 1 1 -15 -8  52 o 42.567  5.6610  231.172    57.019   198.664    80.746   263.504    80.528   38.148  8.8882  44.631  7.7152  -6.482948      11.76966 
1 1 1 -15 -8  53 o 23.749  7.4847  73.123     48.169   96.798     73.286   55.117     63.915   27.320  9.2690  22.669  8.5377  4.651081       12.60184 
1 1 1 -15 -8  54 o 17.551  7.2131  17.619     49.327   -52.1215   64.722   114.263    76.189   15.230  7.1086  29.061  9.4398  -13.83159      11.81704 
1 1 1 -15 -8  55 o 14.214  6.3874  -17.0832   45.975   0.1672     60.973   -39.8146   69.993   17.688  7.6724  16.552  7.6080  1.135735       10.80498 
1 1 1 -15 -8  56 o 10.507  5.1987  -107.0403  49.117   -142.1403  55.972   10.500     102.427  10.625  5.3052  22.794  9.9157  -12.16834      11.24567 
1 1 1 -15 -8  57 o 42.648  7.2513  241.943    72.352   269.435    85.120   170.361    137.349  44.561  8.1737  34.527  12.603  10.03418       15.02178 
1 1 1 -15 -8  58 o 42.290  6.2292  232.592    62.004   126.854    83.222   364.516    92.957   30.304  9.8670  52.396  7.5280  -22.09142      12.41082 
1 1 1 -15 -8  59 o 33.572  6.7381  149.790    52.980   143.542    64.790   162.400    92.039   32.292  8.2413  33.702  10.302  -1.409298      13.19263 
1 1 1 -15 -8  60 o 36.919  11.871  204.996    120.712  514.454    379.335  170.128    127.331  48.343  19.951  34.192  12.180  14.15075       23.37518 
1 1 1 -15 -8  61 o 47.368  20.146  538.243    405.014  538.243    405.014  0.0000     0.0000   47.368  20.146  ?       ?       0.000000       20.14577 
1 1 1 -15 -7  1  o 57.060  6.8152  403.023    92.490   403.023    92.490   0.0000     0.0000   57.060  6.8152  ?       ?       0.000000       6.815187 
1 1 1 -15 -7  2  o 98.658  4.8730  1184.67    116.654  1184.67    116.654  0.0000     0.0000   98.658  4.8730  ?       ?       0.000000       4.873047 
1 1 1 -15 -7  3  o 241.054 5.3785  7077.40    314.589  6796.35    449.556  7347.10    440.376  235.693 7.8609  245.173 7.4027  -9.479828      10.79785 
1 1 1 -15 -7  4  o 110.636 3.5713  1487.60    95.869   1579.32    139.201  1404.84    132.228  113.897 5.0369  107.418 5.0732  6.478485       7.148965 
1 1 1 -15 -7  5  o 184.904 4.5524  4159.70    204.247  4384.50    292.153  3944.79    285.654  189.581 6.3512  179.792 6.5479  9.788376       9.122096 
1 1 1 -15 -7  6  o 162.002 4.2263  3191.77    166.128  3331.19    237.846  3058.96    232.138  165.308 5.9298  158.395 6.0401  6.912613       8.464314 
1 1 1 -15 -7  7  o 63.012  5.0872  486.510    77.116   543.534    127.529  453.639    96.824   66.158  8.1146  60.603  6.6964  5.555149       10.52085 
1 1 1 -15 -7  8  o 98.025  5.0972  1172.95    120.817  1381.72    192.175  1036.51    155.359  106.057 7.5165  91.864  7.0231  14.19308       10.28696 
1 1 1 -15 -7  9  o 161.364 6.1221  3174.76    239.700  3104.24    362.806  3229.39    319.318  158.743 9.4622  162.444 8.1013  -3.700500      12.45652 
1 1 1 -15 -7  10 o 72.709  3.4560  642.383    60.972   686.351    88.443   602.562    84.170   74.938  4.8909  70.185  4.9748  4.753166       6.976293 
1 1 1 -15 -7  11 o 206.341 4.9019  5181.84    245.421  5670.29    349.591  4707.20    344.617  215.554 6.6841  196.298 7.2353  19.25607       9.850196 
1 1 1 -15 -7  12 o 68.524  3.8002  572.503    62.938   604.054    102.758  553.561    79.620   70.128  6.0997  67.263  4.9124  2.864685       7.831848 
1 1 1 -15 -7  13 o 162.712 5.9349  3227.06    234.311  0.0000     0.0000   3227.06    234.311  ?       ?       162.712 5.9349  0.000000       5.934850 
1 1 1 -15 -7  14 o 100.909 5.0281  1239.56    123.111  0.0000     0.0000   1239.56    123.111  ?       ?       100.909 5.0281  0.000000       5.028082 
1 1 1 -15 -7  15 o 70.622  4.3835  608.984    74.744   842.083    155.402  538.833    85.252   82.606  7.8475  66.303  5.3446  16.30269       9.494592 
1 1 1 -15 -7  16 o 176.301 4.5717  3781.64    195.566  4220.37    280.927  3369.10    272.414  186.021 6.2240  166.127 6.7581  19.89444       9.187475 
1 1 1 -15 -7  17 o 180.915 4.5676  3982.24    200.508  4029.64    284.881  3935.72    282.259  181.729 6.4606  179.597 6.4772  2.132813       9.148411 
1 1 1 -15 -7  18 o 99.270  3.6425  1197.75    87.737   1247.81    124.455  1148.28    123.706  101.110 5.0892  96.960  5.2780  4.149757       7.331954 
1 1 1 -15 -7  19 o 234.415 5.3532  6692.65    304.484  6851.82    432.363  6536.05    428.869  236.736 7.5270  231.189 7.6453  5.547455       10.72873 
1 1 1 -15 -7  20 o 100.857 3.6603  1236.32    89.575   1284.15    127.010  1189.00    126.347  102.702 5.0968  98.669  5.2968  4.032249       7.350712 
1 1 1 -15 -7  21 o 74.331  5.0221  675.617    90.045   773.352    115.435  523.718    143.909  79.419  6.0354  64.659  9.4518  14.76048       11.21440 
1 1 1 -15 -7  22 o 115.194 5.2187  1615.77    145.865  1509.27    191.974  1761.22    224.361  110.927 7.1709  119.758 7.7629  -8.830673      10.56807 
1 1 1 -15 -7  23 o 104.056 5.1125  1318.23    129.082  1277.03    168.153  1377.35    201.415  102.053 6.8301  105.820 7.9014  -3.767242      10.44429 
1 1 1 -15 -7  24 o 224.036 5.2141  6111.64    283.440  6207.04    402.556  6017.83    399.154  225.369 7.3615  221.896 7.4135  3.472961       10.44761 
1 1 1 -15 -7  25 o 325.926 6.9286  12971.70   547.933  12965.58   776.966  12977.76   772.841  324.771 9.8596  324.948 9.8019  -0.1771851     13.90287 
1 1 1 -15 -7  26 o 152.249 4.2198  2819.07    155.885  2688.12    221.127  2948.45    219.790  148.468 6.1383  155.531 5.8241  -7.063248      8.461559 
1 1 1 -15 -7  27 o 163.452 4.3666  3249.94    173.179  3368.91    246.339  3133.68    243.510  166.205 6.1084  160.277 6.2616  5.928604       8.747531 
1 1 1 -15 -7  28 o 62.268  3.9570  473.342    59.474   479.129    83.487   467.380    84.745   62.460  5.5671  61.661  5.7297  0.7990036      7.988937 
1 1 1 -15 -7  29 o 211.042 7.3728  5446.99    377.541  5146.30    565.399  5688.95    507.181  203.671 11.488  215.045 9.7201  -11.37378      15.04824 
1 1 1 -15 -7  30 o 112.409 5.7072  1544.59    155.152  1584.29    250.011  1519.72    197.862  113.182 9.1829  111.217 7.3739  1.964554       11.77708 
1 1 1 -15 -7  31 o 254.046 8.3001  7917.88    511.635  7764.29    757.852  8046.50    693.541  249.500 12.559  254.936 11.212  -5.436600      16.83521 
1 1 1 -15 -7  32 o 204.395 5.0690  5091.17    251.397  5174.87    357.945  5009.70    353.161  205.609 7.1748  202.296 7.1948  3.312927       10.16089 
1 1 1 -15 -7  33 o 234.628 5.4633  6716.58    311.027  6668.42    442.776  6763.50    436.999  233.095 7.8286  234.805 7.6702  -1.710037      10.95993 
1 1 1 -15 -7  34 o 205.115 5.8471  5140.90    291.005  5174.64    354.189  5070.79    510.490  205.438 7.1054  201.883 10.457  3.555008       12.64277 
1 1 1 -15 -7  35 o 192.770 4.8088  4533.19    224.928  4558.18    320.775  4509.01    315.483  192.754 6.8586  191.736 6.7812  1.018707       9.644949 
1 1 1 -15 -7  36 o 31.961  6.4102  129.681    47.981   117.740    62.355   147.015    75.128   30.371  8.2483  33.842  8.9950  -3.470707      12.20425 
1 1 1 -15 -7  37 o 53.883  4.5241  356.951    58.601   411.570    80.188   294.346    85.850   57.656  5.8111  48.273  7.5792  9.383884       9.550597 
1 1 1 -15 -7  38 o 82.302  4.0015  826.525    79.908   823.667    112.019  829.486    114.022  81.731  5.6840  82.001  5.7674  -0.2703781     8.097570 
1 1 1 -15 -7  39 o 90.692  3.9682  1004.32    87.323   909.307    122.836  1101.39    124.160  85.759  5.9397  94.558  5.4344  -8.799034      8.050632 
1 1 1 -15 -7  40 o 83.131  4.0235  844.719    81.158   872.530    113.745  815.877    115.832  84.015  5.6120  81.142  5.9242  2.872093       8.160301 
1 1 1 -15 -7  41 o 68.045  4.2017  568.941    69.033   511.758    94.129   635.492    101.547  64.053  6.1314  71.503  5.9058  -7.449791      8.513094 
1 1 1 -15 -7  42 o 70.291  5.1774  611.692    87.682   627.647    108.296  581.328    149.395  70.849  6.3676  66.987  9.4543  3.862526       11.39867 
1 1 1 -15 -7  43 o 110.820 5.3866  1516.53    144.843  1594.30    185.193  1394.02    232.443  112.857 6.7946  104.113 9.2992  8.744377       11.51700 
1 1 1 -15 -7  44 o 70.853  4.1530  617.953    71.086   589.523    97.175   650.680    104.261  68.699  5.8865  72.155  6.0097  -3.456360      8.412355 
1 1 1 -15 -7  45 o 81.739  4.4483  823.864    87.893   837.718    123.872  809.818    124.731  81.776  6.2912  80.329  6.4539  1.446838       9.012851 
1 1 1 -15 -7  46 o 34.454  7.2575  154.559    58.757   135.116    81.905   175.174    84.338   32.059  9.7004  36.195  9.4876  -4.135998      13.56878 
1 1 1 -15 -7  47 o 59.452  6.5428  447.371    92.820   744.012    224.459  386.181    101.945  72.967  13.162  54.662  7.9167  18.30457       15.35963 
1 1 1 -15 -7  48 o 50.933  8.9881  343.126    107.019  246.666    216.652  374.259    123.084  42.599  15.782  52.774  9.9776  -10.17476      18.67168 
1 1 1 -15 -7  49 o 37.912  9.5252  195.015    87.513   222.365    206.762  189.046    96.591   40.768  15.356  37.150  10.337  3.617756       18.51085 
1 1 1 -15 -7  50 o 35.252  6.3508  160.820    52.325   272.868    75.990   59.792     72.156   45.892  7.0497  23.976  9.0617  21.91622       11.48101 
1 1 1 -15 -7  51 o 61.758  4.5345  475.036    67.475   523.245    97.377   430.510    93.583   64.063  6.3480  57.852  6.7963  6.211620       9.299853 
1 1 1 -15 -7  52 o 20.267  7.2423  46.871     45.054   51.772     66.239   42.651     61.461   22.606  8.6489  21.334  8.2861  1.271370       11.97760 
1 1 1 -15 -7  53 o 31.986  6.6894  135.203    50.248   172.922    72.563   100.452    69.650   35.558  8.5217  27.565  9.0292  7.992716       12.41551 
1 1 1 -15 -7  54 f 11.733  5.6225  -60.2658   45.841   -56.6986   58.902   -65.7454   73.002   14.119  6.6505  15.790  7.4276  -1.671729      9.969904 
1 1 1 -15 -7  55 o 40.036  6.4835  209.917    60.829   256.810    85.587   162.048    86.471   43.371  8.4365  33.806  9.9043  9.565258       13.01040 
1 1 1 -15 -7  56 o 40.202  7.6013  217.215    71.431   190.295    83.560   290.279    137.662  36.760  9.3472  43.583  12.417  -6.823761      15.54170 
1 1 1 -15 -7  57 o 48.200  6.7836  304.391    77.141   309.028    90.685   292.250    146.727  47.856  8.0986  43.401  12.950  4.455540       15.27380 
1 1 1 -15 -7  58 o 58.936  5.1806  439.898    73.331   489.157    101.854  386.887    105.662  61.162  6.9888  53.463  8.4241  7.698521       10.94572 
1 1 1 -15 -7  59 o 11.289  5.4169  -57.5600   42.876   -21.4628   54.913   -113.9383  68.627   15.363  6.9348  13.346  6.5093  2.016505       9.511172 
1 1 1 -15 -7  60 o 42.732  18.797  332.567    377.208  332.567    377.208  0.0000     0.0000   42.732  18.797  ?       ?       0.000000       18.79718 
1 1 1 -15 -7  61 o 42.634  18.448  367.383    350.792  367.383    350.792  0.0000     0.0000   42.634  18.448  ?       ?       0.000000       18.44789 
1 1 1 -15 -6  1  o 67.627  4.6931  559.153    76.533   559.153    76.533   0.0000     0.0000   67.627  4.6931  ?       ?       0.000000       4.693100 
1 1 1 -15 -6  2  o 85.582  3.3785  889.963    70.157   816.259    99.301   963.420    99.134   81.732  5.0317  88.866  4.6134  -7.134384      6.826504 
1 1 1 -15 -6  3  o 264.229 5.7952  8509.03    371.543  7862.12    528.511  9141.11    522.424  253.293 8.5994  273.339 7.8769  -20.04643      11.66171 
1 1 1 -15 -6  4  o 88.239  3.4675  946.152    74.240   1045.27    108.380  858.531    101.903  92.548  4.8432  83.829  5.0332  8.719383       6.984950 
1 1 1 -15 -6  5  o 55.636  3.4488  377.567    46.327   389.516    69.018   367.769    62.499   56.335  5.1046  54.771  4.7499  1.564240       6.972698 
1 1 1 -15 -6  6  o 140.439 5.7663  2403.42    196.494  2358.23    302.526  2436.39    258.426  138.379 9.0601  140.974 7.5829  -2.594284      11.81460 
1 1 1 -15 -6  7  o 103.422 5.2412  1305.64    131.094  1435.31    209.822  1222.61    167.899  108.015 8.0639  99.829  6.9753  8.186340       10.66214 
1 1 1 -15 -6  8  o 110.925 5.3185  1498.28    143.148  1582.60    226.349  1442.08    184.797  113.414 8.2825  108.448 7.0613  4.965683       10.88399 
1 1 1 -15 -6  9  o 106.145 3.6650  1369.26    94.391   1380.47    134.982  1358.53    132.045  106.484 5.2243  105.639 5.1515  0.8444519      7.336995 
1 1 1 -15 -6  10 o 126.259 3.8969  1937.79    119.384  2026.64    170.563  1852.45    167.158  129.001 5.4491  123.321 5.5863  5.680328       7.803869 
1 1 1 -15 -6  11 o 127.323 3.8764  1970.54    119.755  2094.71    170.778  1850.42    167.976  131.157 5.3663  123.251 5.6169  7.906456       7.768305 
1 1 1 -15 -6  12 o 96.882  5.0766  1145.61    118.924  0.0000     0.0000   1145.61    118.924  ?       ?       96.882  5.0766  0.000000       5.076643 
1 1 1 -15 -6  13 o 110.951 5.1857  1498.71    139.605  0.0000     0.0000   1498.71    139.605  ?       ?       110.951 5.1857  0.000000       5.185679 
1 1 1 -15 -6  14 o 101.539 5.0632  1255.05    124.746  0.0000     0.0000   1255.05    124.746  ?       ?       101.539 5.0632  0.000000       5.063244 
1 1 1 -15 -6  15 o 146.112 4.2281  2596.20    149.899  2876.88    217.075  2340.37    207.245  153.644 5.8228  138.541 6.1651  15.10269       8.480183 
1 1 1 -15 -6  16 o 52.218  3.8606  333.281    48.569   279.568    69.529   384.470    67.875   47.489  6.1805  55.972  5.0522  -8.483765      7.982682 
1 1 1 -15 -6  17 o 91.454  3.6532  1016.54    81.066   1043.90    114.813  989.349    114.476  92.453  5.1383  89.982  5.2661  2.470627       7.357635 
1 1 1 -15 -6  18 f 249.415 5.6132  7579.50    339.701  7590.03    481.774  7569.09    479.057  249.046 7.9726  248.712 7.9383  0.3346100      11.25072 
1 1 1 -15 -6  19 o 73.891  3.6229  663.565    64.955   615.402    92.554   710.310    91.181   70.875  5.4230  76.230  4.9565  -5.354843      7.346869 
1 1 1 -15 -6  20 o 57.451  3.8674  403.041    53.597   490.139    76.123   317.419    75.476   63.259  5.0002  50.635  6.2777  12.62411       8.025682 
1 1 1 -15 -6  21 o 118.767 5.4456  1718.10    156.931  1976.73    207.003  1368.56    240.646  127.085 6.7371  105.157 9.5351  21.92860       11.67504 
1 1 1 -15 -6  22 o 55.126  5.3362  373.496    70.482   374.386    88.219   371.927    117.194  54.979  6.7552  54.334  9.2189  0.6446877      11.42895 
1 1 1 -15 -6  23 o 101.028 5.1769  1245.93    126.477  1267.13    164.086  1214.90    198.526  101.679 6.6881  99.274  8.3184  2.405373       10.67368 
1 1 1 -15 -6  24 o 39.776  4.8147  195.335    45.522   215.889    63.712   173.898    65.066   41.572  6.5315  37.066  7.4923  4.506413       9.939544 
1 1 1 -15 -6  25 o 205.160 4.9099  5123.10    244.417  5085.96    346.822  5159.74    344.504  204.073 7.0042  205.566 6.9068  -1.493530      9.836815 
1 1 1 -15 -6  26 o 91.830  3.7645  1025.05    83.879   1065.99    119.652  985.482    117.619  93.408  5.3011  89.785  5.4245  3.623634       7.584620 
1 1 1 -15 -6  27 o 239.037 5.5544  6961.94    322.154  6874.55    457.902  7047.59    453.321  236.996 7.9628  240.007 7.7843  -3.010864      11.13562 
1 1 1 -15 -6  28 o 181.823 4.6737  4023.37    206.193  4132.51    294.133  3917.91    289.134  183.990 6.5885  179.138 6.6519  4.851791       9.362509 
1 1 1 -15 -6  29 o 69.072  7.0335  588.948    116.233  681.904    210.449  548.145    139.429  73.230  12.278  66.259  8.8974  6.971718       15.16322 
1 1 1 -15 -6  30 o 39.922  10.445  203.788    102.346  120.331    186.989  239.484    122.291  37.548  14.489  43.227  11.470  -5.678757      18.47960 
1 1 1 -15 -6  31 o 183.386 6.7507  4110.58    300.386  4869.56    466.800  3574.17    392.432  198.823 9.6761  170.117 9.5458  28.70547       13.59222 
1 1 1 -15 -6  32 o 260.287 5.8397  8268.81    368.813  8258.23    524.476  8279.16    518.732  259.318 8.3355  259.685 8.2325  -0.3670654     11.71555 
1 1 1 -15 -6  33 o 250.641 6.5881  7685.25    400.659  7785.50    488.237  7478.54    701.106  251.777 7.9919  245.014 11.793  6.763199       14.24598 
1 1 1 -15 -6  34 o 42.740  5.7979  227.216    58.576   264.069    70.670   146.324    104.702  46.002  6.5134  34.578  11.050  11.42405       12.82644 
1 1 1 -15 -6  35 o 65.605  4.2623  526.685    67.481   480.471    93.496   576.937    97.494   62.326  6.2674  68.414  5.9318  -6.088200      8.629457 
1 1 1 -15 -6  36 o 127.570 4.2110  1984.30    130.347  2036.54    185.572  1933.43    183.128  128.922 5.9323  125.600 6.0090  3.322144       8.443940 
1 1 1 -15 -6  37 o 53.771  4.5047  355.516    58.231   353.039    80.008   358.307    84.912   53.241  6.3165  53.562  6.6787  -0.3209419     9.192540 
1 1 1 -15 -6  38 o 140.511 4.3144  2411.86    147.094  2434.48    210.183  2390.14    205.928  140.667 6.1580  139.402 6.0881  1.264816       8.659447 
1 1 1 -15 -6  39 o 66.207  4.3292  538.238    69.163   485.186    95.058   597.914    100.819  62.399  6.3676  69.416  6.0461  -7.017628      8.780787 
1 1 1 -15 -6  40 o 129.390 4.1873  2048.10    131.462  1936.91    186.428  2158.08    185.406  125.235 6.1351  132.325 5.7745  -7.089981      8.425230 
1 1 1 -15 -6  41 o 111.647 5.3922  1535.54    146.076  1571.33    186.917  1479.39    234.133  112.205 6.8989  107.793 9.0351  4.412819       11.36787 
1 1 1 -15 -6  42 o 35.456  6.6962  161.252    55.496   160.636    65.744   162.779    103.511  35.103  7.9085  35.285  10.948  -0.1822243     13.50581 
1 1 1 -15 -6  43 o 84.383  5.1582  881.318    105.106  824.490    130.887  984.505    176.371  81.050  6.7160  87.833  8.3773  -6.783195      10.73705 
1 1 1 -15 -6  44 f 45.707  5.7728  262.832    62.596   269.373    86.464   255.627    90.739   45.538  8.1231  44.107  8.7872  1.430981       11.96660 
1 1 1 -15 -6  45 f 76.721  4.4163  725.972    81.866   706.459    115.341  745.782    116.216  75.012  6.3983  77.138  6.2632  -2.126076      8.953557 
1 1 1 -15 -6  46 o 67.203  4.3814  557.734    71.053   536.100    103.461  577.046    97.751   65.145  6.6381  67.849  5.9995  -2.704094      8.947497 
1 1 1 -15 -6  47 o 97.175  6.3087  1184.93    147.946  946.714    265.191  1292.57    178.265  81.882  13.841  100.935 7.3288  -19.05276      15.66148 
1 1 1 -15 -6  48 f 43.205  8.5165  246.991    86.107   378.942    191.634  213.611    96.385   50.628  14.719  39.622  10.019  11.00666       17.80559 
1 1 1 -15 -6  49 o 17.983  7.1416  24.017     46.537   -21.7770   66.297   68.497     65.339   17.265  7.7205  24.359  8.7198  -7.093662      11.64656 
1 1 1 -15 -6  50 o 18.478  7.3035  26.873     48.455   66.127     71.351   -6.7256    66.011   24.470  9.0588  18.114  7.9181  6.356197       12.03152 
1 1 1 -15 -6  51 o 67.994  4.4543  575.079    73.082   578.341    103.977  571.895    102.741  67.296  6.4466  66.939  6.4037  0.3571396      9.086631 
1 1 1 -15 -6  52 o 83.306  4.3420  862.573    87.463   852.136    125.741  872.356    121.738  81.675  6.3960  82.829  6.1002  -1.154396      8.838671 
1 1 1 -15 -6  53 o 51.525  5.3033  336.553    65.356   279.855    87.596   407.746    98.157   45.596  8.2200  55.679  7.4525  -10.08252      11.09537 
1 1 1 -15 -6  54 o 35.879  6.9987  171.063    58.740   148.126    80.411   197.307    86.014   32.532  9.5567  37.472  9.4591  -4.940533      13.44633 
1 1 1 -15 -6  55 o 44.511  5.8924  255.485    62.075   250.464    85.395   261.110    90.392   42.769  8.5281  43.500  8.8647  -0.7317619     12.30089 
1 1 1 -15 -6  56 o 31.274  8.5768  135.147    67.036   116.117    77.651   190.826    132.825  29.171  9.5327  35.989  12.470  -6.818264      15.69619 
1 1 1 -15 -6  57 o 52.890  6.5051  363.306    81.722   348.447    96.189   401.864    154.946  50.928  8.0517  51.467  12.526  -0.5395813     14.89062 
1 1 1 -15 -6  58 o 64.094  5.0622  518.777    78.085   467.326    104.915  582.670    116.914  59.495  7.4296  66.552  7.3635  -7.056713      10.46041 
1 1 1 -15 -6  59 o 59.663  7.2327  469.356    102.567  742.078    342.119  442.423    107.512  59.316  20.027  57.465  7.9211  1.850925       21.53686 
1 1 1 -15 -6  60 o 33.205  15.504  0.0059     308.306  0.0059     308.306  0.0000     0.0000   33.205  15.504  ?       ?       0.000000       15.50404 
1 1 1 -15 -5  1  o 201.815 4.8277  4956.82    236.406  4514.16    336.283  5389.34    332.409  192.223 7.2100  210.165 6.5185  -17.94218      9.719822 
1 1 1 -15 -5  2  f 307.525 6.6930  11543.11   499.421  10943.17   708.632  12135.18   703.967  298.404 9.7871  314.460 9.2262  -16.05652      13.45026 
1 1 1 -15 -5  3  o 240.708 5.4641  7057.66    319.133  7350.14    453.825  6771.54    448.860  245.180 7.6285  235.275 7.8627  9.905029       10.95521 
1 1 1 -15 -5  4  o 143.455 4.0226  2502.08    140.018  2653.12    200.356  2357.90    195.756  147.573 5.5954  139.099 5.8000  8.474091       8.059056 
1 1 1 -15 -5  5  o 35.101  3.9117  151.625    32.749   206.834    50.550   111.694    42.991   40.890  5.2137  29.724  6.1630  11.16540       8.072474 
1 1 1 -15 -5  6  o 189.442 6.6650  4378.99    306.367  4497.57    461.089  4285.25    409.943  191.063 9.9805  186.956 9.0369  4.106567       13.46390 
1 1 1 -15 -5  7  o 163.364 6.0985  3253.14    241.739  3508.43    366.957  3057.40    321.314  168.956 8.9834  157.818 8.4214  11.13861       12.31343 
1 1 1 -15 -5  8  o 213.736 7.0024  5576.56    363.154  6413.27    540.514  4888.08    490.304  228.554 9.7466  199.179 10.179  29.37494       14.09297 
1 1 1 -15 -5  9  o 196.741 4.9017  4710.08    233.995  4947.96    332.864  4477.68    329.006  201.367 6.8126  191.514 7.0801  9.852737       9.825461 
1 1 1 -15 -5  10 o 100.481 3.6512  1226.94    89.019   1287.32    127.160  1168.91    124.660  102.843 5.0958  97.847  5.2701  4.995476       7.330855 
1 1 1 -15 -5  11 o 188.727 6.6839  4345.36    306.077  0.0000     0.0000   4345.36    306.077  ?       ?       188.727 6.6839  0.000000       6.683935 
1 1 1 -15 -5  12 o 217.825 7.0626  5792.58    373.279  0.0000     0.0000   5792.58    373.279  ?       ?       217.825 7.0626  0.000000       7.062559 
1 1 1 -15 -5  13 o 160.355 5.9732  3133.79    232.409  0.0000     0.0000   3133.79    232.409  ?       ?       160.355 5.9732  0.000000       5.973214 
1 1 1 -15 -5  14 o 193.615 4.8794  4561.92    229.229  4783.47    326.462  4346.46    321.942  197.975 6.7961  188.675 7.0323  9.299454       9.779586 
1 1 1 -15 -5  15 o 35.764  4.6822  158.264    39.656   163.834    55.690   152.535    56.482   36.088  6.6032  34.742  6.9431  1.346478       9.581697 
1 1 1 -15 -5  16 o 151.058 4.1713  2774.79    152.890  2736.18    217.113  2812.78    215.335  149.821 5.9724  151.920 5.8417  -2.098434      8.354320 
1 1 1 -15 -5  17 o 250.201 5.5615  7626.40    337.633  7862.65    478.841  7392.82    476.142  253.542 7.7835  245.798 7.9835  7.743668       11.14988 
1 1 1 -15 -5  18 o 307.413 6.6655  11534.15   497.189  11668.63   704.435  11400.65   701.835  308.281 9.4174  304.692 9.4931  3.589844       13.37185 
1 1 1 -15 -5  19 o 200.714 4.8005  4902.69    233.791  4915.55    331.481  4889.96    329.786  200.663 6.8081  200.143 6.7909  0.5198822      9.615965 
1 1 1 -15 -5  20 o 234.426 6.3826  6703.51    363.051  6786.61    440.844  6528.38    640.001  235.581 7.7123  229.959 11.470  5.621658       13.82176 
1 1 1 -15 -5  21 o 204.001 6.9224  5081.07    342.650  5117.75    465.279  5037.60    506.503  204.194 9.3909  202.080 10.365  2.113373       13.98629 
1 1 1 -15 -5  22 o 54.330  5.3904  362.985    70.122   270.212    87.534   529.170    117.155  46.339  8.0789  65.378  7.5224  -19.03893      11.03878 
1 1 1 -15 -5  23 o 164.100 6.1134  3283.20    243.421  3306.64    325.574  3253.48    366.556  164.368 8.1634  162.565 9.3320  1.802597       12.39863 
1 1 1 -15 -5  24 o 210.007 5.0568  5368.84    257.678  5294.07    365.412  5442.79    363.419  208.171 7.2344  211.102 7.0950  -2.931610      10.13284 
1 1 1 -15 -5  25 o 87.669  3.7611  934.220    80.005   978.190    113.098  890.177    113.192  89.477  5.2320  85.310  5.4975  4.167000       7.589270 
1 1 1 -15 -5  26 o 113.243 3.9936  1559.21    109.735  1473.70    153.573  1648.41    156.855  109.813 5.7841  116.319 5.5576  -6.506409      8.021329 
1 1 1 -15 -5  27 o 145.224 4.2906  2565.21    151.188  2514.84    214.875  2614.60    212.766  143.595 6.1671  146.437 5.9881  -2.842285      8.595949 
1 1 1 -15 -5  28 o 64.329  4.3438  505.685    67.404   601.098    93.901   404.265    96.812   70.014  5.5736  57.081  7.1466  12.93335       9.063029 
1 1 1 -15 -5  29 o 230.400 7.8368  6499.02    438.113  6399.90    655.960  6578.85    588.661  226.984 11.952  230.980 10.503  -3.995605      15.91155 
1 1 1 -15 -5  30 o 133.480 6.3305  2175.09    205.033  2260.07    330.695  2122.03    261.322  135.038 10.167  131.309 8.2438  3.729889       13.08946 
1 1 1 -15 -5  31 o 210.432 7.3922  5421.01    377.441  5599.30    574.554  5285.66    500.617  212.358 11.190  207.028 9.9658  5.330032       14.98452 
1 1 1 -15 -5  32 o 14.611  6.2414  -1.2301    39.184   17.479     48.478   -36.4863   66.549   17.937  7.2325  16.830  7.6124  1.107237       10.50032 
1 1 1 -15 -5  33 o 59.851  5.1368  440.018    73.876   391.808    88.031   554.825    135.847  56.216  6.5781  66.612  8.6061  -10.39658      10.83218 
1 1 1 -15 -5  34 o 98.044  4.0670  1170.48    96.751   1118.93    137.159  1221.54    136.496  95.480  5.9499  99.832  5.6582  -4.351151      8.210754 
1 1 1 -15 -5  35 f 89.314  4.0840  971.890    88.505   959.982    125.799  983.562    124.539  88.370  5.9008  89.479  5.7669  -1.109520      8.250854 
1 1 1 -15 -5  36 o 57.908  4.3605  411.383    60.819   421.390    83.432   400.036    88.845   58.334  5.9790  56.697  6.5805  1.636894       8.891108 
1 1 1 -15 -5  37 o 52.374  4.5849  337.651    57.679   374.508    77.389   291.594    86.510   54.934  5.8983  47.985  7.6898  6.948746       9.691421 
1 1 1 -15 -5  38 o 57.629  4.4538  408.370    61.795   370.474    85.681   449.451    89.208   54.420  6.6255  60.115  6.2051  -5.695232      9.077533 
1 1 1 -15 -5  39 o 25.182  7.2425  80.551     46.622   107.948    61.209   42.690     71.954   29.020  8.2836  22.950  8.9512  6.070370       12.19596 
1 1 1 -15 -5  40 o 86.556  4.0673  916.315    85.421   923.058    120.540  909.514    121.069  86.334  5.7877  85.674  5.8591  0.6598587      8.235734 
1 1 1 -15 -5  41 o 86.289  5.2137  919.862    108.648  909.850    137.642  936.414    176.969  85.320  6.7027  85.760  8.6213  -0.4402466     10.92025 
1 1 1 -15 -5  42 o 74.336  5.2346  684.484    93.814   703.340    115.906  648.666    159.747  74.971  6.4340  70.700  9.5571  4.270744       11.52107 
1 1 1 -15 -5  43 o 18.773  6.6495  38.688     37.900   16.310     50.172   68.427     57.838   17.858  7.2995  24.065  8.2340  -6.206909      11.00373 
1 1 1 -15 -5  44 o 67.637  4.3634  564.302    71.228   594.972    101.930  535.033    99.574   68.909  6.1612  65.246  6.3709  3.662758       8.862785 
1 1 1 -15 -5  45 o 41.401  5.6132  216.079    54.933   189.486    79.805   240.027    75.731   37.802  8.8558  43.088  7.5169  -5.286098      11.61592 
1 1 1 -15 -5  46 o 26.748  7.5383  92.988     51.025   54.884     73.130   129.138    71.229   23.843  9.0958  31.286  8.9380  -7.443459      12.75229 
1 1 1 -15 -5  47 o 78.803  6.2615  780.791    118.737  955.947    227.384  715.123    139.227  84.049  11.448  74.679  7.7985  9.369255       13.85150 
1 1 1 -15 -5  48 o 50.067  7.8240  326.119    91.939   19.399     199.820  408.490    103.551  31.406  13.751  56.148  7.8124  -24.74156      15.81556 
1 1 1 -15 -5  49 o 37.336  6.0931  178.927    53.294   178.727    78.118   179.101    72.891   36.392  8.9167  36.592  8.3887  -0.2000999     12.24241 
1 1 1 -15 -5  50 o 25.571  7.5422  85.655     49.995   128.569    72.701   47.155     68.861   30.899  9.0898  22.531  8.7652  8.367975       12.62751 
1 1 1 -15 -5  51 o 33.195  6.6939  144.662    52.054   75.636     75.298   207.848    72.042   25.492  9.3278  39.514  7.7909  -14.02206      12.15341 
1 1 1 -15 -5  52 o 82.595  4.3240  848.208    86.356   829.340    122.509  866.841    121.746  80.575  6.3168  82.508  6.1250  -1.933273      8.798699 
1 1 1 -15 -5  53 o 42.453  6.3315  234.038    63.226   258.686    89.486   209.470    89.343   43.466  8.7869  38.645  9.5766  4.820938       12.99699 
1 1 1 -15 -5  54 o 47.086  5.9231  285.370    66.174   287.479    93.635   283.266    93.533   45.812  8.7425  45.432  8.8026  0.3801231      12.40630 
1 1 1 -15 -5  55 o 47.420  7.3524  298.231    81.859   306.294    97.244   278.623    151.645  47.240  8.8077  42.252  13.275  4.988838       15.93092 
1 1 1 -15 -5  56 o 21.555  8.2990  47.055     61.237   -6.0907    69.964   221.124    126.619  18.432  8.1020  38.409  12.138  -19.97721      14.59380 
1 1 1 -15 -5  57 o 22.487  8.1540  59.269     57.352   123.313    72.534   -47.5625   93.681   29.917  9.1453  19.136  8.7977  10.78116       12.69003 
1 1 1 -15 -5  58 o 19.651  7.5341  38.261     50.329   18.146     65.533   67.185     78.584   19.542  8.1964  24.648  9.4227  -5.105680      12.48875 
1 1 1 -15 -5  59 o 30.342  14.481  -136.5448  297.615  -136.5448  297.615  0.0000     0.0000   30.342  14.481  ?       ?       0.000000       14.48137 
1 1 1 -15 -5  60 o 31.076  14.768  -84.2679   302.824  -84.2679   302.824  0.0000     0.0000   31.076  14.768  ?       ?       0.000000       14.76829 
1 1 1 -15 -4  1  o 291.222 6.3740  10345.54   450.402  9795.67    638.489  10890.19   635.452  282.505 9.3146  298.060 8.7865  -15.55484      12.80482 
1 1 1 -15 -4  2  o 66.936  3.3795  545.776    54.710   509.336    79.466   578.612    75.435   64.480  5.1214  68.816  4.5433  -4.336266      6.846157 
1 1 1 -15 -4  3  o 215.524 5.1221  5654.96    267.858  5919.02    380.512  5395.57    377.127  220.143 7.1236  210.129 7.3967  10.01425       10.26922 
1 1 1 -15 -4  4  o 191.793 4.7257  4475.70    219.922  4905.98    313.114  4056.76    308.959  200.553 6.4344  182.284 6.9854  18.26898       9.497205 
1 1 1 -15 -4  5  o 238.747 7.6132  6966.50    441.033  7532.56    650.840  6485.87    599.721  247.323 10.845  229.521 10.769  17.80176       15.28355 
1 1 1 -15 -4  6  o 164.267 6.1471  3289.17    245.010  3581.63    376.641  3074.62    322.595  170.694 9.1269  158.272 8.4306  12.42212       12.42478 
1 1 1 -15 -4  7  o 70.299  5.3340  605.098    90.307   740.204    164.510  546.825    108.041  77.228  8.9447  66.608  6.7794  10.61975       11.22358 
1 1 1 -15 -4  8  o 111.022 3.7831  1497.99    101.911  1549.86    146.913  1449.88    141.487  112.828 5.3664  109.129 5.3433  3.698402       7.572911 
1 1 1 -15 -4  9  o 116.457 3.8113  1648.28    107.697  1761.65    154.589  1541.36    150.122  120.297 5.2962  112.509 5.4991  7.787590       7.634761 
1 1 1 -15 -4  10 o 107.162 5.2257  1397.83    135.879  0.0000     0.0000   1397.83    135.879  ?       ?       107.162 5.2257  0.000000       5.225733 
1 1 1 -15 -4  11 o 102.215 5.2484  1275.14    129.731  0.0000     0.0000   1275.14    129.731  ?       ?       102.215 5.2484  0.000000       5.248447 
1 1 1 -15 -4  12 o 70.428  5.0706  606.781    86.071   0.0000     0.0000   606.781    86.071   ?       ?       70.428  5.0706  0.000000       5.070599 
1 1 1 -15 -4  13 o 172.875 4.5235  3635.07    189.747  3986.15    270.736  3296.13    266.011  180.831 6.1703  164.371 6.6698  16.46056       9.086184 
1 1 1 -15 -4  14 o 238.941 5.4097  6952.48    313.635  6956.40    444.960  6948.61    442.148  238.555 7.6872  238.432 7.6426  0.1233826      10.83982 
1 1 1 -15 -4  15 f 197.055 4.7832  4724.99    228.702  4826.26    324.841  4625.47    322.044  198.866 6.7320  194.670 6.8179  4.195343       9.581452 
1 1 1 -15 -4  16 o 217.746 5.1782  5772.63    273.585  6162.78    388.463  5388.68    385.370  224.628 7.1272  209.959 7.5645  14.66953       10.39322 
1 1 1 -15 -4  17 o 59.232  3.8102  428.236    54.470   474.307    76.505   380.872    77.571   62.209  5.1137  55.602  5.8368  6.607426       7.760040 
1 1 1 -15 -4  18 o 279.128 6.1621  9500.77    417.346  9559.18    591.689  9442.93    588.756  279.268 8.7319  277.562 8.7420  1.706573       12.35591 
1 1 1 -15 -4  19 o 145.047 4.1098  2558.19    144.643  2589.76    205.727  2527.32    203.403  145.774 5.8163  144.006 5.8212  1.768738       8.228974 
1 1 1 -15 -4  20 o 148.739 5.8691  2696.29    211.815  2800.23    282.632  2563.11    319.927  151.133 7.7331  144.261 9.1876  6.871445       12.00890 
1 1 1 -15 -4  21 o 127.654 5.5537  1985.02    172.020  2109.30    227.222  1818.16    263.289  131.221 7.1635  121.448 8.9987  9.772697       11.50183 
1 1 1 -15 -4  22 o 96.225  5.2222  1130.66    121.473  1241.49    157.008  965.404    191.723  100.678 6.4613  88.276  9.0805  12.40293       11.14466 
1 1 1 -15 -4  23 o 39.313  4.8559  190.916    45.335   187.294    64.492   194.455    63.742   38.555  7.1574  39.341  6.9308  -0.7859077     9.963107 
1 1 1 -15 -4  24 o 291.276 6.3263  10347.78   447.117  9985.69    633.441  10707.32   631.202  285.312 9.1500  295.563 8.8014  -10.25095      12.69599 
1 1 1 -15 -4  25 o 119.663 3.8703  1740.72    112.375  1776.82    159.215  1704.88    158.631  120.780 5.4328  118.302 5.5263  2.478630       7.749514 
1 1 1 -15 -4  26 o 255.285 5.7542  7942.25    356.428  8311.38    506.114  7579.03    502.041  260.602 8.0040  248.770 8.3172  11.83226       11.54297 
1 1 1 -15 -4  27 o 258.401 5.7932  8138.73    363.229  7844.82    515.745  8427.99    511.645  253.042 8.4000  262.388 8.0364  -9.345261      11.62511 
1 1 1 -15 -4  28 o 205.369 7.3464  5156.65    366.078  5003.43    554.260  5275.22    487.557  200.895 11.418  207.123 9.7014  -6.227661      14.98261 
1 1 1 -15 -4  29 o 241.544 7.9662  7145.63    466.886  7470.22    698.432  6883.40    627.761  245.625 11.719  236.079 10.959  9.545517       16.04474 
1 1 1 -15 -4  30 o 89.582  6.5361  985.270    141.089  493.241    246.972  1223.64    171.902  61.392  16.305  99.777  7.1478  -38.38520      17.80261 
1 1 1 -15 -4  31 o 136.463 4.3028  2266.31    142.472  2315.37    203.340  2218.99    199.681  137.717 6.0852  134.818 6.1042  2.899384       8.619163 
1 1 1 -15 -4  32 o 69.077  4.3602  583.200    72.705   591.620    102.137  574.551    103.517  69.327  6.1352  68.282  6.3197  1.045013       8.807909 
1 1 1 -15 -4  33 o 77.580  4.1263  734.771    77.394   702.097    106.508  771.325    112.655  75.588  5.8528  79.240  5.9015  -3.652298      8.311642 
1 1 1 -15 -4  34 o 154.835 4.4202  2921.68    166.063  2846.75    237.191  2993.73    232.575  152.458 6.4118  156.408 6.1283  -3.949875      8.869473 
1 1 1 -15 -4  35 o 128.414 4.1177  2009.64    128.302  1992.06    183.422  2026.48    179.534  127.544 5.9269  128.676 5.7502  -1.132217      8.257907 
1 1 1 -15 -4  36 o 30.692  5.8292  119.207    41.823   121.928    59.028   116.464    59.267   30.827  7.8658  30.154  7.9771  0.6732063      11.20288 
1 1 1 -15 -4  37 o 72.941  3.9301  650.855    69.301   598.549    98.160   702.835    97.854   69.579  5.8690  75.544  5.3735  -5.964577      7.957356 
1 1 1 -15 -4  38 o 60.856  4.1975  454.603    61.602   427.553    87.451   481.243    86.788   58.589  6.2479  62.300  5.8082  -3.711056      8.530622 
1 1 1 -15 -4  39 o 46.460  4.4983  266.692    50.075   287.296    71.171   246.494    70.466   47.847  6.2822  44.132  6.7989  3.715492       9.256950 
1 1 1 -15 -4  40 o 83.784  3.8798  858.164    78.874   853.698    111.186  862.689    111.908  83.060  5.5488  83.496  5.5554  -0.4364700     7.851861 
1 1 1 -15 -4  41 o 51.693  5.7883  334.130    71.355   399.625    88.434   211.934    120.794  56.356  6.5917  39.806  11.719  16.55001       13.44528 
1 1 1 -15 -4  42 o 38.804  6.4960  192.012    59.001   155.514    69.980   281.729    109.719  34.409  8.4448  45.987  10.109  -11.57772      13.17186 
1 1 1 -15 -4  43 o 15.621  6.3077  14.151     36.932   26.704     51.406   0.7592     53.096   19.005  7.5192  16.965  7.2566  2.040701       10.44965 
1 1 1 -15 -4  44 o 57.106  4.6790  404.031    64.264   447.923    94.606   366.428    87.567   59.542  6.6626  53.715  6.8766  5.827236       9.574814 
1 1 1 -15 -4  45 o 34.580  6.5212  153.898    52.710   173.554    77.801   137.220    71.663   36.141  8.9249  32.221  8.8808  3.919632       12.59059 
1 1 1 -15 -4  46 o 28.189  9.4167  99.253     75.629   339.944    175.075  44.034     83.857   48.642  14.048  23.924  9.5593  24.71827       16.99180 
1 1 1 -15 -4  47 o 48.046  7.7849  299.913    87.651   510.206    197.356  248.241    97.828   59.445  13.927  42.927  9.6294  16.51802       16.93145 
1 1 1 -15 -4  48 o 64.725  5.0505  522.429    78.689   544.800    102.608  490.487    122.611  65.515  6.5421  61.231  8.4803  4.284389       10.71052 
1 1 1 -15 -4  49 o 17.167  6.9162  19.247     44.291   -1.8312    66.936   35.663     59.073   18.578  8.0486  20.570  8.0851  -1.992279      11.40833 
1 1 1 -15 -4  50 o 27.771  7.5479  102.446    52.192   55.488     77.530   141.364    70.581   23.957  9.3060  32.300  8.7769  -8.342163      12.79208 
1 1 1 -15 -4  51 o 39.589  6.1839  202.415    57.460   169.456    84.598   230.640    78.289   34.964  9.6541  41.519  8.0618  -6.555157      12.57755 
1 1 1 -15 -4  52 f 27.951  7.3392  104.637    50.411   87.165     78.048   117.143    66.032   26.567  9.5281  29.374  8.6690  -2.806812      12.88166 
1 1 1 -15 -4  53 o 96.382  4.5745  1157.83    106.981  1121.88    150.048  1195.00    152.571  93.290  6.6728  96.386  6.5628  -3.095787      9.359297 
1 1 1 -15 -4  54 o 54.919  5.5996  384.846    73.574   391.915    99.408   376.282    109.409  54.247  7.7747  52.430  8.9196  1.816662       11.83240 
1 1 1 -15 -4  55 o 13.444  6.4259  -72.0357   59.046   -76.6887   68.144   -58.0165   118.283  14.629  6.9674  21.254  9.8127  -6.624783      12.03468 
1 1 1 -15 -4  56 o 18.433  7.7833  12.421     59.741   -6.1563    67.658   78.159     127.273  18.144  7.9715  28.432  11.624  -10.28775      14.09500 
1 1 1 -15 -4  57 o 26.222  7.9391  92.197     54.850   77.241     70.133   115.755    88.020   25.083  9.0282  29.381  10.153  -4.298120      13.58627 
1 1 1 -15 -4  58 o 38.529  8.7890  206.074    80.348   206.074    80.348   0.0000     0.0000   38.529  8.7890  ?       ?       0.000000       8.789048 
1 1 1 -15 -4  59 o 38.761  17.215  202.570    323.827  202.570    323.827  0.0000     0.0000   38.761  17.215  ?       ?       0.000000       17.21530 
1 1 1 -15 -3  1  o 15.558  5.1008  28.200     22.226   14.813     34.974   37.269     28.787   15.522  6.1827  17.821  5.8032  -2.298246      8.479598 
1 1 1 -15 -3  2  o 23.517  4.9370  69.841     27.274   28.410     40.208   105.154    37.121   17.942  6.7685  28.909  5.4928  -10.96655      8.716876 
1 1 1 -15 -3  3  o 160.496 4.8325  3134.52    188.190  3177.91    235.276  3057.47    313.559  161.470 6.0051  157.854 8.2149  3.616318       10.17576 
1 1 1 -15 -3  4  o 122.030 4.2614  1810.79    126.179  1968.26    159.105  1543.90    207.138  127.158 5.1568  112.137 7.6587  15.02098       9.232957 
1 1 1 -15 -3  5  o 74.284  5.1245  674.811    91.802   677.881    154.703  673.142    114.053  73.888  8.8023  74.026  6.4132  -0.1379166     10.89079 
1 1 1 -15 -3  6  o 71.129  5.1770  619.038    88.735   529.126    150.889  666.572    109.712  64.942  9.8878  73.695  6.1930  -8.752647      11.66714 
1 1 1 -15 -3  7  o 77.369  5.3450  732.162    99.726   759.940    177.871  719.427    120.436  78.150  9.5809  76.533  6.5485  1.616692       11.60501 
1 1 1 -15 -3  8  o 109.606 4.1741  1460.51    111.009  1793.28    183.658  1268.95    139.344  121.135 6.2700  101.922 5.6567  19.21314       8.444615 
1 1 1 -15 -3  9  o 30.256  6.8646  116.109    49.239   0.0000     0.0000   116.109    49.239   ?       ?       30.256  6.8646  0.000000       6.864575 
1 1 1 -15 -3  10 o 104.984 5.1838  1341.43    132.048  0.0000     0.0000   1341.43    132.048  ?       ?       104.984 5.1838  0.000000       5.183764 
1 1 1 -15 -3  11 o 86.477  5.0992  913.235    106.522  0.0000     0.0000   913.235    106.522  ?       ?       86.477  5.0992  0.000000       5.099212 
1 1 1 -15 -3  12 o 75.525  3.9539  695.222    72.205   863.489    108.488  561.413    96.745   84.050  5.3474  67.621  5.9572  16.42903       8.005206 
1 1 1 -15 -3  13 o 85.524  3.6614  888.856    75.979   957.222    108.538  823.163    106.395  88.540  5.0733  82.050  5.3739  6.490227       7.390309 
1 1 1 -15 -3  14 o 121.143 4.3056  1784.64    126.558  1798.02    208.842  1776.87    159.100  121.141 7.1365  120.795 5.4282  0.3461990      8.966337 
1 1 1 -15 -3  15 o 153.305 4.2029  2857.84    156.340  2882.83    222.122  2833.31    220.089  153.797 5.9522  152.470 5.9491  1.326340       8.415498 
1 1 1 -15 -3  16 o 17.146  6.2398  29.146     33.630   -31.0824   48.257   86.016     46.892   14.069  6.4100  26.133  7.1760  -12.06449      9.621951 
1 1 1 -15 -3  17 o 14.935  5.9661  13.284     32.655   -6.1877    47.291   31.030     45.147   15.672  6.7775  18.907  7.1626  -3.235295      9.860892 
1 1 1 -15 -3  18 o 147.491 4.1517  2645.27    148.580  2736.50    210.899  2555.37    209.358  149.848 5.8004  144.786 5.9593  5.062210       8.316159 
1 1 1 -15 -3  19 o 202.349 4.9183  4983.47    241.478  4999.44    342.613  4967.70    340.401  202.344 6.9783  201.705 6.9552  0.6389923      9.852485 
1 1 1 -15 -3  20 o 314.608 9.5678  12153.18   730.373  12315.71   1011.21  11975.92   1056.05  314.995 13.230  310.182 14.032  4.812439       19.28547 
1 1 1 -15 -3  21 o 274.798 8.5907  9250.23    572.801  9390.22    788.660  9093.93    833.309  275.703 11.789  270.939 12.676  4.763458       17.31063 
1 1 1 -15 -3  22 o 87.074  5.2409  926.463    110.213  916.271    140.961  942.493    176.780  86.383  6.7797  87.335  8.4477  -0.9519043     10.83179 
1 1 1 -15 -3  23 o 75.226  3.8279  689.634    69.639   731.521    99.122   648.807    97.860   77.326  5.3152  72.768  5.5850  4.558006       7.709999 
1 1 1 -15 -3  24 o 168.665 4.4304  3460.28    181.316  3526.63    257.812  3395.36    255.048  170.055 6.2481  166.853 6.2997  3.202118       8.872750 
1 1 1 -15 -3  25 o 210.017 5.1084  5369.87    260.317  5571.85    369.628  5171.09    366.678  213.576 7.1326  205.709 7.3463  7.866714       10.23923 
1 1 1 -15 -3  26 o 93.503  3.8661  1062.86    87.714   1131.02    124.980  996.699    123.132  96.215  5.3750  90.267  5.6503  5.947807       7.798458 
1 1 1 -15 -3  27 o 139.977 4.1513  2382.85    140.996  2409.44    201.586  2357.39    197.281  140.581 5.9098  139.062 5.8467  1.519440       8.313217 
1 1 1 -15 -3  28 f 107.230 5.7967  1405.83    150.261  1185.63    246.924  1535.33    189.357  97.517  10.607  111.881 7.0107  -14.36453      12.71427 
1 1 1 -15 -3  29 o 154.265 6.3548  2904.87    237.867  2792.83    373.495  2981.33    308.528  150.178 10.312  155.759 8.1923  -5.581146      13.17027 
1 1 1 -15 -3  30 o 128.900 5.9427  2027.24    185.866  2223.04    303.357  1909.56    235.179  134.103 9.3820  124.608 7.8180  9.495201       12.21237 
1 1 1 -15 -3  31 o 216.025 5.1441  5687.59    269.635  5674.18    383.394  5700.70    379.281  215.262 7.3403  215.790 7.2438  -0.5285034     10.31274 
1 1 1 -15 -3  32 o 119.330 4.8666  1735.33    140.909  1826.93    168.900  1525.59    255.573  122.338 5.6899  110.778 9.6032  11.56052       11.16227 
1 1 1 -15 -3  33 o 163.859 4.3902  3270.75    174.548  3336.36    248.983  3207.35    244.768  165.157 6.2131  161.928 6.2297  3.228256       8.798396 
1 1 1 -15 -3  34 o 42.837  4.9672  226.908    50.670   208.688    70.241   246.676    73.165   40.595  7.4040  44.298  7.0427  -3.703804      10.21855 
1 1 1 -15 -3  35 o 80.534  3.9050  790.214    76.307   733.115    108.233  846.647    107.599  77.156  5.8243  83.033  5.3694  -5.877869      7.921634 
1 1 1 -15 -3  36 o 34.990  5.4450  153.408    44.725   175.385    62.596   130.486    63.927   37.102  7.2130  31.855  8.2167  5.246719       10.93348 
1 1 1 -15 -3  37 f 31.112  5.9479  122.823    43.265   100.367    58.926   149.089    63.728   28.114  8.1587  34.009  7.8775  -5.895269      11.34110 
1 1 1 -15 -3  38 o 81.239  3.8980  805.823    76.836   822.182    110.192  790.342    107.194  81.599  5.5994  80.007  5.5562  1.591812       7.888268 
1 1 1 -15 -3  39 o 19.521  6.6910  43.477     38.193   51.243     52.477   34.731     55.692   21.815  7.8140  20.412  7.8988  1.403234       11.11082 
1 1 1 -15 -3  40 o 25.929  7.6146  85.670     51.057   131.192    59.692   -38.4253   98.556   31.765  7.8014  20.829  9.3566  10.93588       12.18231 
1 1 1 -15 -3  41 o 71.983  5.3159  642.190    92.191   636.583    113.309  653.171    158.567  71.253  6.6299  71.050  9.4309  0.2037430      11.52809 
1 1 1 -15 -3  42 o 40.629  6.5206  210.258    62.107   246.079    76.172   139.218    107.270  43.743  7.4433  33.249  11.214  10.49345       13.45976 
1 1 1 -15 -3  43 f 99.546  4.2017  1216.12    101.488  1282.41    146.166  1154.42    141.023  101.473 5.9627  96.214  6.0719  5.259300       8.510117 
1 1 1 -15 -3  44 o 64.618  4.5008  515.948    70.127   548.853    102.159  486.625    96.437   66.040  6.4580  62.138  6.4920  3.901997       9.157091 
1 1 1 -15 -3  45 o 10.099  4.9464  -78.5194   40.871   -135.4564  63.190   -37.5679   53.590   12.068  5.9574  14.439  6.6443  -2.371178      8.923991 
1 1 1 -15 -3  46 o 59.560  7.1470  452.679    101.223  673.239    209.319  385.358    115.644  69.466  12.893  54.055  9.1432  15.41196       15.80610 
1 1 1 -15 -3  47 o 18.582  7.8719  7.4657     61.431   -73.7851   168.102  19.989     65.996   25.880  11.857  20.122  8.3145  5.758297       14.48134 
1 1 1 -15 -3  48 o 25.876  7.5826  87.317     50.678   109.805    74.931   68.359     68.800   29.058  9.3541  24.580  8.9280  4.477865       12.93093 
1 1 1 -15 -3  49 o 51.557  5.0911  333.675    62.857   330.936    90.476   336.230    87.391   50.325  7.6504  50.897  7.2840  -0.5722694     10.56339 
1 1 1 -15 -3  50 o 66.708  4.5315  554.157    72.913   569.278    104.799  539.971    101.508  66.698  6.5605  64.960  6.5284  1.737396       9.255322 
1 1 1 -15 -3  51 o 29.692  9.8402  117.613    82.636   198.327    93.442   -172.0638  177.022  37.588  10.051  23.230  11.110  14.35846       14.98139 
1 1 1 -15 -3  52 o 54.414  5.7074  377.462    74.233   306.332    97.151   477.256    115.073  47.446  8.7616  59.872  8.1314  -12.42582      11.95347 
1 1 1 -15 -3  53 o 50.229  6.1006  325.112    72.826   405.681    96.558   218.812    110.909  55.495  7.3519  38.682  11.184  16.81306       13.38386 
1 1 1 -15 -3  54 o 40.520  6.8955  216.759    65.367   262.427    83.192   143.070    105.676  44.064  8.0786  32.094  11.123  11.97061       13.74685 
1 1 1 -15 -3  55 o 32.510  8.6985  146.385    69.963   175.301    80.233   54.624     142.928  35.357  9.2470  28.089  11.957  7.267893       15.11580 
1 1 1 -15 -3  56 o 31.252  8.1355  133.643    62.293   34.724     79.698   288.960    99.867   22.249  9.1592  45.577  9.3442  -23.32848      13.08455 
1 1 1 -15 -3  57 o 34.249  7.3794  157.823    59.515   109.555    77.844   225.732    92.334   28.533  9.5535  39.973  9.6332  -11.44045      13.56720 
1 1 1 -15 -3  58 o 35.303  16.145  67.860     309.812  67.860     309.812  0.0000     0.0000   35.303  16.145  ?       ?       0.000000       16.14507 
1 1 1 -15 -3  59 o 43.515  10.522  277.975    109.875  248.451    327.608  281.717    116.630  39.741  17.499  43.440  11.042  -3.698441      20.69126 
1 1 1 -15 -2  1  o 42.576  3.7553  222.033    38.397   268.875    55.880   180.133    52.850   46.735  5.0056  37.999  5.9252  8.735992       7.756533 
1 1 1 -15 -2  2  o 224.745 5.1479  6148.98    280.728  6250.30    398.431  6049.09    395.604  226.208 7.2591  222.523 7.3269  3.684967       10.31398 
1 1 1 -15 -2  3  o 243.588 6.2820  7234.53    371.291  7518.01    460.225  6706.08    628.373  248.017 7.6476  233.294 11.101  14.72322       13.48004 
1 1 1 -15 -2  4  o 115.131 5.2412  1613.59    146.416  2052.78    230.830  1317.94    189.393  129.436 7.3804  103.587 7.5880  25.84909       10.58526 
1 1 1 -15 -2  5  o 187.684 8.9374  4314.92    407.008  0.0000     0.0000   4314.92    407.008  ?       ?       187.684 8.9374  0.000000       8.937433 
1 1 1 -15 -2  6  o 63.454  6.4857  495.976    98.454   0.0000     0.0000   495.976    98.454   ?       ?       63.454  6.4857  0.000000       6.485739 
1 1 1 -15 -2  7  o 84.897  3.9110  875.990    80.565   788.756    131.967  927.818    101.720  80.122  6.8541  87.199  4.8264  -7.077164      8.382937 
1 1 1 -15 -2  8  o 113.505 5.2600  1568.08    144.865  0.0000     0.0000   1568.08    144.865  ?       ?       113.505 5.2600  0.000000       5.259955 
1 1 1 -15 -2  9  o 114.207 5.2458  1587.50    145.367  0.0000     0.0000   1587.50    145.367  ?       ?       114.207 5.2458  0.000000       5.245773 
1 1 1 -15 -2  10 o 81.321  5.0140  807.718    98.452   0.0000     0.0000   807.718    98.452   ?       ?       81.321  5.0140  0.000000       5.013961 
1 1 1 -15 -2  11 o 75.497  3.8427  694.510    70.161   727.678    106.989  669.484    92.934   77.081  5.7621  73.984  5.2102  3.097343       7.768352 
1 1 1 -15 -2  12 o 206.719 5.1096  5200.79    256.291  5312.83    364.198  5090.88    360.728  208.610 7.1951  204.190 7.2808  4.419373       10.23623 
1 1 1 -15 -2  13 o 109.881 3.7539  1467.37    100.084  1549.69    142.288  1386.75    140.804  112.831 5.1973  106.578 5.4632  6.253326       7.540449 
1 1 1 -15 -2  14 o 236.386 5.4682  6804.92    313.640  6996.08    444.577  6615.51    442.539  239.248 7.6583  232.608 7.8408  6.639847       10.96032 
1 1 1 -15 -2  15 o 218.595 5.1182  5816.85    271.470  6067.17    385.132  5569.67    382.712  222.896 7.1210  213.508 7.3874  9.387253       10.26077 
1 1 1 -15 -2  16 o 45.099  4.2775  249.567    46.248   243.498    65.569   255.575    65.243   44.251  6.2832  45.390  6.0764  -1.138802      8.740820 
1 1 1 -15 -2  17 o 31.496  5.4031  124.204    39.805   150.288    56.387   98.294     56.199   34.472  6.9807  27.986  7.9197  6.485601       10.55708 
1 1 1 -15 -2  18 o 159.855 4.3457  3107.99    168.558  3157.28    239.389  3059.52    237.378  160.917 6.1311  158.400 6.1762  2.516571       8.702656 
1 1 1 -15 -2  19 o 105.445 5.2541  1353.85    134.428  1344.09    174.172  1368.23    211.413  104.704 6.8942  105.393 8.3351  -0.6890182     10.81686 
1 1 1 -15 -2  20 o 214.109 7.2763  5600.38    378.014  5989.95    514.743  5144.33    556.930  220.865 9.6051  203.917 11.300  16.94759       14.83070 
1 1 1 -15 -2  21 o 168.517 6.3186  3463.26    258.360  3750.32    346.645  3104.52    387.514  175.058 8.1609  158.597 10.123  16.46089       13.00273 
1 1 1 -15 -2  22 o 34.805  5.3128  150.868    43.446   162.675    62.210   139.625    60.703   35.841  7.3987  33.141  7.6963  2.700001       10.67589 
1 1 1 -15 -2  23 o 40.854  4.7321  205.789    46.041   246.252    66.808   169.192    63.537   44.490  6.3706  36.563  7.4155  7.927544       9.776194 
1 1 1 -15 -2  24 o 114.867 3.9694  1604.11    110.634  1604.20    157.743  1604.02    155.207  114.746 5.6656  114.748 5.5745  -0.1640320E-02 7.948218 
1 1 1 -15 -2  25 o 279.668 6.1726  9537.79    418.868  9757.38    594.585  9321.45    590.178  282.163 8.6846  275.744 8.8209  6.419128       12.37862 
1 1 1 -15 -2  26 o 110.187 3.9533  1476.15    105.695  1440.15    151.136  1510.62    147.870  108.554 5.7586  111.356 5.4727  -2.802811      7.944255 
1 1 1 -15 -2  27 o 186.346 6.8508  4240.85    309.758  4197.75    474.342  4272.89    409.012  184.241 10.656  186.593 9.0339  -2.351639      13.97013 
1 1 1 -15 -2  28 o 154.436 6.3259  2910.60    237.048  2909.82    372.008  2911.12    307.581  153.419 10.049  153.916 8.2661  -0.4972687     13.01183 
1 1 1 -15 -2  29 o 119.779 5.9347  1750.07    172.482  1802.46    282.805  1719.05    217.648  120.630 9.7453  118.265 7.6252  2.364311       12.37395 
1 1 1 -15 -2  30 o 32.152  6.9085  131.193    52.290   158.949    66.765   87.155     84.097   35.323  7.9783  28.243  9.9146  7.079845       12.72604 
1 1 1 -15 -2  31 o 225.571 5.3646  6204.90    293.622  6475.15    417.604  5940.67    412.925  229.874 7.4871  220.109 7.7316  9.764160       10.76260 
1 1 1 -15 -2  32 o 24.751  6.8485  77.268     42.520   25.731     59.314   131.753    60.987   20.191  8.0488  32.128  7.8826  -11.93619      11.26583 
1 1 1 -15 -2  33 o 143.177 4.3143  2497.35    149.879  2533.65    214.243  2462.56    209.751  143.909 6.1356  141.884 6.0927  2.024933       8.646707 
1 1 1 -15 -2  34 o 128.658 4.1730  2017.22    130.270  2046.08    185.598  1989.20    182.891  129.284 5.9165  127.475 5.9129  1.808975       8.364699 
1 1 1 -15 -2  35 o 49.232  4.4989  298.246    53.148   268.264    75.139   328.267    75.187   46.210  6.9139  51.375  6.1541  -5.165016      9.256050 
1 1 1 -15 -2  36 o 94.211  3.9286  1082.49    89.805   1036.23    127.516  1128.01    126.496  91.725  5.7587  95.785  5.4654  -4.059921      7.939287 
1 1 1 -15 -2  37 o 72.125  4.0352  637.084    70.334   632.632    100.784  641.312    98.202   71.503  5.8605  72.041  5.6636  -0.5375366     8.149986 
1 1 1 -15 -2  38 o 59.742  4.1733  438.424    60.115   385.250    85.120   491.337    84.911   55.491  6.4417  62.960  5.6172  -7.468979      8.546887 
1 1 1 -15 -2  39 o 38.259  5.1831  183.089    46.877   186.590    65.445   179.402    67.179   38.109  7.3438  37.271  7.6838  0.8384781      10.62879 
1 1 1 -15 -2  40 f 57.915  5.5656  417.434    77.248   407.721    93.433   438.417    137.321  56.845  6.9165  57.783  10.166  -0.9373589     12.29537 
1 1 1 -15 -2  41 o 58.166  5.4953  421.346    76.639   423.347    93.951   417.367    132.497  57.910  6.8168  56.265  10.075  1.644886       12.16454 
1 1 1 -15 -2  42 o 38.572  5.1993  186.728    47.422   208.831    65.383   162.195    68.883   40.359  6.9261  35.151  8.2226  5.207375       10.75089 
1 1 1 -15 -2  43 o 58.652  4.6998  426.079    66.324   379.213    97.281   466.784    90.660   54.419  7.5726  60.957  6.2165  -6.538387      9.797433 
1 1 1 -15 -2  44 o 52.031  5.0040  337.058    62.396   341.057    93.844   333.888    83.536   51.457  7.7571  51.208  6.8987  0.2490768      10.38096 
1 1 1 -15 -2  45 o 60.762  4.7357  457.894    69.268   561.129    103.790  374.983    93.014   66.698  6.4957  54.132  7.2649  12.56537       9.745408 
1 1 1 -15 -2  46 f 67.296  6.5173  572.492    105.087  429.149    220.054  614.840    119.607  53.431  15.840  69.461  7.2012  -16.03022      17.40019 
1 1 1 -15 -2  47 o 28.222  9.0083  102.840    69.605   359.623    182.557  59.160     75.293   49.362  14.371  24.276  9.2370  25.08599       17.08323 
1 1 1 -15 -2  48 o 34.174  6.5819  151.855    52.597   140.004    79.084   161.256    70.433   32.231  9.4801  34.669  8.4499  -2.438175      12.69931 
1 1 1 -15 -2  49 o 33.594  6.9159  148.253    54.494   208.323    79.598   95.261     74.761   39.323  8.5834  27.427  9.3616  11.89529       12.70094 
1 1 1 -15 -2  50 o 20.024  7.1338  45.757     43.682   16.048     68.074   66.554     56.955   19.868  8.3443  23.434  8.1630  -3.566772      11.67317 
1 1 1 -15 -2  51 o 22.942  7.5060  66.900     48.139   47.896     71.193   82.907     65.340   22.630  8.8819  25.571  8.7518  -2.941013      12.46921 
1 1 1 -15 -2  52 o 26.027  8.4579  89.119     61.161   67.538     80.935   117.848    93.383   24.937  9.5557  29.807  10.449  -4.869709      14.15920 
1 1 1 -15 -2  53 o 32.776  7.9825  146.532    62.893   118.017    79.607   193.889    102.590  29.437  9.6535  36.594  10.807  -7.157038      14.49078 
1 1 1 -15 -2  54 o 25.480  8.9399  82.160     68.370   70.849     76.283   128.354    154.164  24.842  9.3328  32.467  12.965  -7.625109      15.97505 
1 1 1 -15 -2  55 o 45.471  7.6324  276.112    81.225   290.729    92.086   224.878    172.404  46.186  8.5314  38.464  14.108  7.722115       16.48717 
1 1 1 -15 -2  56 o 50.508  5.6941  326.501    68.566   384.563    91.636   252.643    103.352  54.095  7.1571  42.034  10.230  12.06177       12.48524 
1 1 1 -15 -2  57 o 35.537  9.0933  176.879    78.733   176.879    78.733   0.0000     0.0000   35.537  9.0933  ?       ?       0.000000       9.093307 
1 1 1 -15 -2  58 o 40.323  17.595  252.343    324.651  252.343    324.651  0.0000     0.0000   40.323  17.595  ?       ?       0.000000       17.59488 
1 1 1 -15 -1  1  f 313.019 6.5960  11954.31   500.976  12167.53   708.411  11740.99   708.562  314.936 9.2704  309.303 9.4413  5.632874       13.23171 
1 1 1 -15 -1  2  o 250.349 5.6397  7634.48    342.583  7726.17    484.888  7543.09    484.083  251.348 7.9506  248.332 8.0339  3.016724       11.30288 
1 1 1 -15 -1  3  o 45.059  5.5790  251.002    59.692   153.563    110.953  290.691    70.813   35.638  11.373  48.451  6.1629  -12.81306      12.93568 
1 1 1 -15 -1  4  o 34.706  6.4757  151.575    52.526   105.384    101.530  168.456    61.379   31.073  10.895  36.524  7.1819  -5.450459      13.04889 
1 1 1 -15 -1  5  o 119.814 5.4868  1747.84    159.511  1546.62    249.306  1887.30    207.554  111.968 9.2596  124.183 6.9156  -12.21484      11.55705 
1 1 1 -15 -1  6  o 194.400 4.7771  4597.13    225.335  4889.63    319.442  4307.44    317.908  200.251 6.5744  187.893 6.9731  12.35834       9.583673 
1 1 1 -15 -1  7  o 99.191  4.0394  1195.93    97.221   1223.91    158.865  1179.17    122.927  99.975  6.5858  98.300  5.1720  1.675591       8.373940 
1 1 1 -15 -1  8  o 121.962 5.3309  1810.53    157.758  0.0000     0.0000   1810.53    157.758  ?       ?       121.962 5.3309  0.000000       5.330920 
1 1 1 -15 -1  9  o 108.483 5.2006  1432.24    136.892  0.0000     0.0000   1432.24    136.892  ?       ?       108.483 5.2006  0.000000       5.200580 
1 1 1 -15 -1  10 o 190.913 5.5104  4437.60    255.262  4887.64    468.423  4247.52    304.436  199.624 9.6708  186.617 6.7233  13.00702       11.77818 
1 1 1 -15 -1  11 o 131.500 4.5281  2103.02    144.480  2503.62    243.307  1884.81    179.568  143.236 7.0006  124.381 5.9499  18.85577       9.187522 
1 1 1 -15 -1  12 o 40.848  4.8769  205.882    47.381   143.180    60.741   303.328    75.722   33.575  7.6292  49.463  6.4638  -15.88831      9.999273 
1 1 1 -15 -1  13 o 39.405  4.5726  191.399    42.908   189.006    62.312   193.557    59.172   38.789  6.8721  39.341  6.4203  -0.5515785     9.404629 
1 1 1 -15 -1  14 o 252.042 5.7102  7738.93    349.211  7749.09    494.502  7728.83    493.218  251.681 8.0976  251.354 8.0870  0.3264923      11.44423 
1 1 1 -15 -1  15 o 306.268 6.5854  11444.19   489.380  11369.16   693.045  11518.81   691.133  304.382 9.3838  306.411 9.2959  -2.029083      13.20873 
1 1 1 -15 -1  16 o 238.940 5.4022  6953.26    313.199  7097.27    443.855  6810.45    442.011  240.949 7.5919  236.001 7.7189  4.948990       10.82677 
1 1 1 -15 -1  17 o 292.688 6.3314  10448.77   449.643  10434.24   636.815  10463.21   634.971  291.694 8.9975  292.112 8.9586  -0.4181519     12.69693 
1 1 1 -15 -1  18 f 143.259 4.0825  2495.41    141.911  2451.87    201.174  2538.53    200.215  141.839 5.8454  144.339 5.7168  -2.499191      8.176171 
1 1 1 -15 -1  19 o 297.600 9.0196  10860.08   651.304  10415.61   898.783  11351.56   945.129  289.903 12.777  302.601 12.872  -12.69754      18.13713 
1 1 1 -15 -1  20 o 90.157  5.1840  992.848    112.927  998.026    145.420  984.980    179.238  90.191  6.6928  89.315  8.3682  0.8762894      10.71543 
1 1 1 -15 -1  21 o 147.985 6.0141  2669.44    215.949  3002.56    286.926  2234.19    327.970  156.736 7.5446  134.440 10.128  22.29637       12.62963 
1 1 1 -15 -1  22 o 154.504 4.3981  2903.44    164.881  3174.66    234.464  2638.09    231.911  161.386 5.9875  147.055 6.4995  14.33061       8.837037 
1 1 1 -15 -1  23 o 34.669  5.3302  149.735    43.402   111.378    60.696   189.871    62.088   29.710  8.1667  38.880  6.8306  -9.170424      10.64667 
1 1 1 -15 -1  24 o 54.104  4.2582  358.183    55.449   490.395    77.334   218.303    79.545   63.267  5.0805  41.526  8.1856  21.74100       9.634046 
1 1 1 -15 -1  25 o 201.832 4.9050  4958.26    240.212  5447.58    342.007  4481.86    337.460  211.264 6.6718  191.519 7.2618  19.74506       9.861406 
1 1 1 -15 -1  26 o 134.960 4.1864  2215.15    137.092  2081.60    195.721  2343.78    192.085  130.642 6.1743  138.678 5.7085  -8.036499      8.408894 
1 1 1 -15 -1  27 o 235.208 7.8555  6771.31    448.323  6781.93    669.793  6762.68    603.435  233.806 11.845  234.208 10.619  -0.4021606     15.90790 
1 1 1 -15 -1  28 o 141.294 6.0613  2435.40    207.804  2766.34    332.943  2224.21    265.968  149.781 9.2057  134.484 8.1897  15.29794       12.32139 
1 1 1 -15 -1  29 f 186.337 6.8309  4243.60    308.847  4546.34    475.154  4022.13    406.410  191.729 10.251  180.613 9.3053  11.11638       13.84442 
1 1 1 -15 -1  30 o 131.444 4.1668  2102.33    132.894  2070.03    188.775  2134.07    187.118  130.228 5.9741  132.246 5.8313  -2.017776      8.348337 
1 1 1 -15 -1  31 o 182.025 4.7328  4036.49    209.033  4119.91    297.804  3955.47    293.479  183.516 6.6879  179.808 6.7267  3.708282       9.485644 
1 1 1 -15 -1  32 o 37.521  5.5942  175.609    49.373   200.892    68.531   148.324    71.194   39.856  7.3575  34.052  8.6111  5.803806       11.32628 
1 1 1 -15 -1  33 o 132.120 4.0725  2126.09    130.554  2212.29    186.044  2042.46    183.249  134.518 5.7000  129.227 5.8442  5.291611       8.163595 
1 1 1 -15 -1  34 o 48.897  4.6192  294.319    54.155   278.214    75.552   311.339    77.666   47.122  6.8049  49.950  6.5674  -2.827557      9.457109 
1 1 1 -15 -1  35 o 21.824  6.8044  58.266     39.929   93.417     55.122   19.459     57.918   27.195  7.8907  19.379  7.8729  7.816147       11.14655 
1 1 1 -15 -1  36 o 80.075  3.9491  782.311    76.729   793.124    109.229  771.777    107.807  80.199  5.6493  79.106  5.6539  1.092827       7.992530 
1 1 1 -15 -1  37 o 59.679  4.2661  437.517    61.367   512.409    86.154   360.385    87.433   64.344  5.5733  53.565  6.8866  10.77924       8.859295 
1 1 1 -15 -1  38 o 107.814 4.0628  1421.09    106.282  1200.13    150.562  1640.55    150.051  98.346  6.3433  115.515 5.3535  -17.16895      8.300494 
1 1 1 -15 -1  39 o 51.006  6.0132  325.731    72.990   319.244    88.491   339.538    129.098  50.062  7.5171  50.524  10.854  -0.4616394     13.20323 
1 1 1 -15 -1  40 o 61.546  5.5798  471.334    82.422   534.306    99.889   336.996    145.896  65.318  6.3842  49.722  12.187  15.59648       13.75833 
1 1 1 -15 -1  41 o 79.104  5.3894  776.083    102.827  813.591    126.520  703.099    176.486  80.599  6.5254  73.253  10.207  7.346146       12.11442 
1 1 1 -15 -1  42 o 95.371  4.2276  1116.31    97.831   1127.16    141.521  1106.38    135.391  95.033  6.1708  94.242  5.9514  0.7914581      8.573074 
1 1 1 -15 -1  43 o 99.735  4.3102  1221.97    104.307  1288.04    150.945  1161.58    144.303  101.572 6.1537  96.418  6.2010  5.153854       8.736134 
1 1 1 -15 -1  44 o 30.440  6.7348  120.298    48.426   35.978     76.760   176.045    62.414   22.652  9.1123  36.831  7.2422  -14.17849      11.63973 
1 1 1 -15 -1  45 o 27.716  8.6967  98.571     65.109   -0.0040    172.259  115.000    70.325   29.034  12.739  29.677  8.9905  -0.6428947     15.59181 
1 1 1 -15 -1  46 o 17.920  7.6839  1.5233     59.793   250.777    169.194  -34.0489   63.918   42.182  14.085  16.253  7.3941  25.92944       15.90767 
1 1 1 -15 -1  47 o 42.496  5.5877  228.689    56.220   261.528    84.567   202.681    75.258   44.555  8.1217  39.079  8.1985  5.475941       11.54027 
1 1 1 -15 -1  48 o 21.644  7.5074  55.429     48.149   136.472    78.586   6.7230     60.923   31.805  9.4744  18.369  7.8130  13.43589       12.28038 
1 1 1 -15 -1  49 o 32.350  6.7021  137.385    50.878   72.891     77.178   186.955    67.662   25.400  9.4177  37.500  7.6941  -12.10064      12.16114 
1 1 1 -15 -1  50 o 23.030  7.6158  66.837     49.508   -13.3361   76.492   124.633    64.946   18.952  8.3945  30.319  8.4906  -11.36720      11.93976 
1 1 1 -15 -1  51 o 36.360  6.4665  172.995    54.959   201.706    81.075   148.584    74.757   38.263  8.9004  32.782  9.0844  5.481380       12.71786 
1 1 1 -15 -1  52 o 17.636  7.4871  8.5652     55.763   24.462     69.190   -20.8967   94.192   20.471  8.4905  20.453  9.1702  0.1815414E-01  12.49723 
1 1 1 -15 -1  53 o 18.733  7.6636  22.624     55.361   29.293     70.070   11.544     90.314   20.903  8.5946  21.760  9.3881  -0.8570385     12.72809 
1 1 1 -15 -1  54 o 16.702  7.4972  -19.7544   63.154   -61.0984   69.671   170.749    149.553  15.508  7.2823  34.858  13.073  -19.35035      14.96463 
1 1 1 -15 -1  55 o 58.877  6.8228  451.536    95.664   396.974    110.802  611.301    189.602  54.010  8.7546  63.830  12.689  -9.820332      15.41593 
1 1 1 -15 -1  56 o 73.452  6.7002  699.151    118.099  699.151    118.099  0.0000     0.0000   73.452  6.7002  ?       ?       0.000000       6.700186 
1 1 1 -15 -1  57 o 48.957  17.146  442.177    251.440  442.177    251.440  0.0000     0.0000   48.957  17.146  ?       ?       0.000000       17.14597 
1 1 1 -15 -1  58 o 21.706  9.2303  22.197     85.002   94.064     210.919  8.2611     92.879   32.429  14.165  21.624  9.4241  10.80461       17.01382 
1 1 1 -15 0   1  o 49.503  3.7879  299.591    45.153   313.975    66.461   287.260    61.535   50.477  5.5162  48.280  5.3424  2.197208       7.679170 
1 1 1 -15 0   2  o 47.041  5.5431  273.186    62.055   319.304    109.586  251.418    75.289   50.247  9.3318  44.832  7.1622  5.415195       11.76353 
1 1 1 -15 0   3  o 101.311 5.2565  1252.75    128.772  1206.85    205.946  1282.22    165.005  98.915  8.6682  102.311 6.6835  -3.395546      10.94567 
1 1 1 -15 0   4  o 15.819  6.3910  12.903     37.936   -29.0391   88.969   22.223     41.940   20.479  9.0629  17.480  6.8294  2.998310       11.34797 
1 1 1 -15 0   5  o 223.587 7.3859  6103.87    400.696  6154.31    591.224  6061.01    544.941  223.674 10.894  222.184 10.108  1.489471       14.86091 
1 1 1 -15 0   6  o 22.487  6.1949  63.505     34.880   31.021     47.769   100.606    51.051   19.257  7.3502  28.195  7.3771  -8.938490      10.41375 
1 1 1 -15 0   7  o 9.2325  4.4921  -57.3969   32.128   0.0000     0.0000   -57.3969   32.128   ?       ?       9.2325  4.4921  0.000000       4.492141 
1 1 1 -15 0   8  o 9.7312  4.7162  -58.1609   34.503   0.0000     0.0000   -58.1609   34.503   ?       ?       9.7312  4.7162  0.000000       4.716217 
1 1 1 -15 0   9  o 19.498  7.2486  35.430     45.779   0.0000     0.0000   35.430     45.779   ?       ?       19.498  7.2486  0.000000       7.248573 
1 1 1 -15 0   10 o 233.533 5.4063  6639.30    306.349  7299.15    435.323  5991.92    431.192  244.510 7.3375  221.399 8.0266  23.11133       10.87501 
1 1 1 -15 0   11 o 25.058  8.9488  65.637     68.777   86.118     81.509   15.005     128.159  28.024  9.7651  27.301  11.457  0.7231960      15.05380 
1 1 1 -15 0   12 o 108.603 3.8259  1433.51    100.817  1395.73    142.506  1471.36    142.649  106.919 5.5118  109.934 5.3478  -3.014908      7.679752 
1 1 1 -15 0   13 f 46.355  4.2003  263.402    46.730   307.493    66.435   220.225    65.743   49.940  5.5779  41.978  6.6782  7.961750       8.701197 
1 1 1 -15 0   14 o 52.601  3.9910  338.294    50.558   282.171    72.145   392.455    70.872   47.682  6.3970  56.538  5.2253  -8.855541      8.259844 
1 1 1 -15 0   15 o 147.825 4.1653  2657.16    149.404  2679.81    211.733  2634.70    210.849  148.286 5.8847  147.029 5.9102  1.256226       8.340281 
1 1 1 -15 0   16 o 318.787 6.9577  12408.67   538.183  12245.04   761.649  12571.83   760.563  315.626 9.9453  319.871 9.7993  -4.244385      13.96194 
1 1 1 -15 0   17 o 14.322  5.9175  6.6971     33.427   -23.7975   46.545   39.177     48.037   14.229  6.4074  20.186  7.4406  -5.956687      9.819216 
1 1 1 -15 0   18 o 111.616 5.4130  1517.30    146.598  1670.99    190.522  1294.23    229.526  116.817 6.7504  102.284 9.3518  14.53313       11.53359 
1 1 1 -15 0   19 o 236.828 7.6671  6857.06    440.583  6796.24    601.639  6927.40    646.986  234.972 10.553  236.995 11.251  -2.023300      15.42531 
1 1 1 -15 0   20 o 124.847 5.4355  1898.29    164.656  1631.75    215.488  2272.26    255.248  115.268 7.7496  136.104 7.7612  -20.83664      10.96782 
1 1 1 -15 0   21 o 190.142 4.7112  4398.95    217.355  4504.15    308.331  4295.03    306.451  192.133 6.6138  187.600 6.7323  4.532425       9.437496 
1 1 1 -15 0   22 f 41.585  4.7315  213.112    46.891   173.555    67.054   250.970    65.598   37.001  7.7185  44.956  6.1769  -7.955383      9.885814 
1 1 1 -15 0   23 o 65.769  3.9613  527.766    62.921   537.798    90.453   518.359    87.584   66.197  5.6866  64.992  5.6089  1.205582       7.987330 
1 1 1 -15 0   24 o 46.007  4.7006  260.213    51.736   219.261    76.092   295.420    70.553   41.679  7.8112  48.853  6.0837  -7.174160      9.900819 
1 1 1 -15 0   25 o 213.614 5.0807  5555.57    263.339  5736.79    374.918  5379.11    369.966  216.699 7.1304  209.807 7.2674  6.892349       10.18125 
1 1 1 -15 0   26 o 37.230  8.2797  176.375    72.861   -11.2537   148.874  235.473    83.552   27.974  12.061  43.140  8.2830  -15.16601      14.63172 
1 1 1 -15 0   27 f 15.162  6.9890  -46.7862   59.651   123.372    134.714  -88.2868   66.529   34.481  12.498  14.376  6.8573  20.10533       14.25543 
1 1 1 -15 0   28 o 272.203 8.5714  9090.78    566.118  9735.78    838.373  8550.17    767.533  280.021 12.339  262.558 12.048  17.46332       17.24537 
1 1 1 -15 0   29 o ?       ?       -225.5728  41.840   -225.5728  41.840   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -15 0   30 o 152.213 4.3080  2820.11    159.107  2892.18    227.375  2750.96    222.721  153.894 6.0892  150.085 6.1159  3.808502       8.630290 
1 1 1 -15 0   31 o 106.558 3.9769  1381.81    102.824  1401.41    147.008  1363.03    143.871  106.991 5.6832  105.519 5.6397  1.471642       8.006514 
1 1 1 -15 0   32 o ?       ?       -140.1622  25.957   -150.4137  38.015   -131.2074  35.529   ?       ?       7.4770  3.7912  0.000000       3.791216 
1 1 1 -15 0   33 o ?       ?       -139.4869  25.647   -86.3299   33.699   -212.6537  39.536   8.3844  4.1749  ?       ?       0.000000       4.174942 
1 1 1 -15 0   34 o 12.335  5.5154  -14.5499   33.831   24.142     49.053   -49.6501   46.720   18.621  7.3521  12.652  5.9482  5.969435       9.456976 
1 1 1 -15 0   35 o 111.167 4.0183  1507.50    108.390  1537.24    155.714  1479.54    150.968  111.795 5.7599  109.689 5.6918  2.105980       8.097767 
1 1 1 -15 0   36 o 53.148  4.3826  347.536    56.013   331.152    79.326   363.827    79.102   51.438  6.5009  54.036  6.1423  -2.597713      8.943681 
1 1 1 -15 0   37 o 113.428 4.0344  1572.08    111.036  1609.31    158.770  1536.44    155.343  114.208 5.7478  111.582 5.7572  2.625298       8.135298 
1 1 1 -15 0   38 o 55.227  4.3162  375.633    57.379   267.556    81.018   484.392    81.273   45.767  7.5596  62.514  5.4115  -16.74676      9.296887 
1 1 1 -15 0   39 f ?       ?       -127.2338  32.066   -122.9935  35.427   -146.4560  75.428   7.6356  3.8624  13.622  6.6817  -5.986109      7.717717 
1 1 1 -15 0   40 o 61.809  5.5367  475.470    82.157   434.189    99.234   565.425    146.486  58.555  7.1318  66.001  9.4139  -7.445862      11.81032 
1 1 1 -15 0   41 f 75.503  4.0578  700.774    74.067   704.016    105.811  697.659    103.713  75.154  5.8485  74.844  5.7551  0.3106308      8.205283 
1 1 1 -15 0   42 o 29.505  7.1896  113.417    50.999   123.790    78.028   105.681    67.383   30.885  9.4928  28.674  8.8228  2.210663       12.95973 
1 1 1 -15 0   43 o 24.977  7.5314  79.631     49.436   134.482    77.665   42.270     64.098   31.966  9.3925  21.892  8.4733  10.07416       12.64973 
1 1 1 -15 0   44 o 34.582  7.9855  157.436    65.652   249.838    177.918  142.871    70.637   42.540  14.442  32.828  8.7203  9.711494       16.87063 
1 1 1 -15 0   45 o 28.894  8.6460  109.087    65.334   -77.5063   185.149  135.627    69.826   27.201  12.455  31.954  8.7494  -4.753542      15.22093 
1 1 1 -15 0   46 o 14.850  6.6897  -22.3292   50.796   -165.1957  163.561  -7.0789    53.439   22.754  10.825  16.334  7.1326  6.419580       12.96369 
1 1 1 -15 0   47 o 27.402  7.3274  98.978     49.663   173.714    78.107   48.257     64.345   35.844  8.9951  22.280  8.5243  13.56424       12.39251 
1 1 1 -15 0   48 o 59.757  4.8339  446.214    69.489   481.073    103.915  418.017    93.458   61.050  7.1504  56.979  6.9006  4.071190       9.937096 
1 1 1 -15 0   49 o 59.153  4.7556  437.729    67.680   459.170    99.316   419.140    92.476   59.580  7.0036  56.983  6.8242  2.597839       9.778549 
1 1 1 -15 0   50 o 38.631  6.0988  193.055    55.269   257.643    83.174   141.986    73.959   43.825  8.1206  32.131  9.0828  11.69490       12.18368 
1 1 1 -15 0   51 o 29.612  8.4115  119.611    63.272   107.418    84.461   135.205    95.514   28.614  9.9421  31.387  10.582  -2.773849      14.51983 
1 1 1 -15 0   52 o 19.529  7.8617  29.179     57.182   49.754     70.405   -10.7004   98.017   22.601  8.8434  21.334  9.4735  1.267002       12.95967 
1 1 1 -15 0   53 o 19.092  8.0666  13.901     64.235   77.944     72.189   -229.6153  140.767  25.255  9.1495  18.609  9.1282  6.645533       12.92428 
1 1 1 -15 0   54 o 35.044  8.8774  170.713    75.571   187.082    84.604   106.094    168.095  36.443  9.4784  31.881  13.229  4.561897       16.27422 
1 1 1 -15 0   55 f 63.786  7.1133  532.265    108.217  532.265    108.217  0.0000     0.0000   63.786  7.1133  ?       ?       0.000000       7.113307 
1 1 1 -15 0   56 o 19.373  8.3168  8.2023     70.206   8.2023     70.206   0.0000     0.0000   19.373  8.3168  ?       ?       0.000000       8.316846 
1 1 1 -15 0   57 o 21.778  9.2382  22.654     84.788   137.164    208.629  -0.0002    92.796   34.258  14.510  21.230  9.3315  13.02797       17.25121 
1 1 1 -15 1   1  o 256.391 8.0485  8040.83    500.705  8580.56    730.822  7563.36    687.380  263.767 11.419  247.632 11.440  16.13486       16.16373 
1 1 1 -15 1   2  o 37.393  6.3107  175.105    55.219   323.165    105.253  118.877    64.862   50.641  8.8900  30.694  8.4443  19.94704       12.26131 
1 1 1 -15 1   3  o 43.041  5.8973  229.861    59.970   239.458    113.385  226.134    70.662   43.283  10.824  42.480  7.1065  0.8029480      12.94875 
1 1 1 -15 1   4  o 120.805 5.5008  1776.89    161.239  1633.85    253.016  1874.70    209.227  115.128 9.1323  123.754 6.9964  -8.625641      11.50431 
1 1 1 -15 1   5  o 191.688 4.7658  4469.69    221.666  4540.00    313.637  4399.51    313.329  192.940 6.6995  189.917 6.7994  3.023529       9.545444 
1 1 1 -15 1   6  o 109.821 5.2329  1467.84    139.442  0.0000     0.0000   1467.84    139.442  ?       ?       109.821 5.2329  0.000000       5.232923 
1 1 1 -15 1   7  o 120.101 5.3242  1755.69    155.156  0.0000     0.0000   1755.69    155.156  ?       ?       120.101 5.3242  0.000000       5.324246 
1 1 1 -15 1   8  o 107.420 5.2388  1404.39    136.546  0.0000     0.0000   1404.39    136.546  ?       ?       107.420 5.2388  0.000000       5.238780 
1 1 1 -15 1   9  o 200.467 4.9716  4889.65    241.827  5238.31    343.600  4547.44    340.413  207.225 6.8336  193.008 7.2689  14.21730       9.976663 
1 1 1 -15 1   10 o 122.115 3.9425  1812.49    116.818  1845.44    165.329  1779.64    165.082  123.110 5.5347  120.888 5.6280  2.222313       7.893474 
1 1 1 -15 1   11 o 36.584  4.7552  165.536    41.212   128.906    59.966   198.322    56.733   31.851  7.8173  39.898  6.0502  -8.046705      9.885100 
1 1 1 -15 1   12 o 39.246  4.5660  189.865    42.668   152.941    60.473   226.469    60.211   34.736  7.4014  42.702  5.9748  -7.965565      9.512105 
1 1 1 -15 1   13 o 254.370 5.7256  7882.74    353.390  7894.19    499.954  7871.32    499.583  254.023 8.1114  253.653 8.1172  0.3696289      11.47530 
1 1 1 -15 1   14 o 308.896 6.5587  11640.95   491.583  11262.79   695.272  12018.95   695.136  302.927 9.4592  313.046 9.1516  -10.11920      13.16160 
1 1 1 -15 1   15 o 236.437 5.3544  6807.88    307.181  6693.69    434.760  6921.71    434.079  233.983 7.6578  237.968 7.5177  -3.985199      10.73113 
1 1 1 -15 1   16 o 290.460 6.2130  10288.28   437.874  9926.23    619.568  10649.57   618.927  284.512 8.9748  294.807 8.6524  -10.29492      12.46642 
1 1 1 -15 1   17 o 143.680 5.7545  2515.55    200.618  2349.42    264.785  2739.44    307.392  138.363 7.9198  149.312 8.5200  -10.94868      11.63246 
1 1 1 -15 1   18 o 289.113 8.8491  10245.38   620.770  9935.14    854.440  10592.21   903.407  283.297 12.430  292.371 12.735  -9.073456      17.79546 
1 1 1 -15 1   19 o 94.152  5.2455  1082.66    119.358  954.259    152.914  1282.88    190.947  88.099  7.2167  102.141 7.7626  -14.04174      10.59904 
1 1 1 -15 1   20 o 145.626 5.9574  2584.76    210.504  2841.36    278.083  2240.40    322.150  152.475 7.5164  134.675 9.9284  17.79942       12.45270 
1 1 1 -15 1   21 o 154.383 4.3793  2898.82    164.047  2985.25    232.838  2813.64    231.166  156.479 6.1324  151.898 6.2720  4.581375       8.771830 
1 1 1 -15 1   22 o 35.066  5.2161  152.960    43.030   220.694    61.732   88.950     60.011   42.095  6.2322  26.988  8.3299  15.10753       10.40329 
1 1 1 -15 1   23 o 52.333  4.2734  335.274    53.790   272.771    76.040   397.881    76.102   46.774  6.9077  56.879  5.5863  -10.10455      8.883866 
1 1 1 -15 1   24 o 199.179 4.8239  4828.27    233.135  4838.80    331.155  4817.93    328.269  199.076 6.8556  198.655 6.8103  0.4214478      9.663338 
1 1 1 -15 1   25 o 132.462 4.1528  2133.81    133.473  2098.32    190.523  2168.02    187.043  131.186 5.9854  133.370 5.7799  -2.183502      8.320610 
1 1 1 -15 1   26 o 229.891 7.6427  6465.61    426.316  6831.09    638.615  6171.81    572.581  235.181 11.191  223.766 10.546  11.41492       15.37707 
1 1 1 -15 1   27 o 143.373 6.0484  2507.55    210.413  2962.91    335.889  2213.44    269.943  155.093 8.9639  134.124 8.3360  20.96936       12.24089 
1 1 1 -15 1   28 o 181.873 6.7636  4042.16    298.475  4208.58    460.214  3921.34    392.129  184.422 10.326  178.394 9.0892  6.028076       13.75642 
1 1 1 -15 1   29 o 121.469 4.0506  1795.06    119.386  1902.08    171.086  1693.48    166.675  124.873 5.6465  117.806 5.8309  7.067497       8.116832 
1 1 1 -15 1   30 o 186.478 4.7614  4236.62    215.440  4316.61    306.953  4158.96    302.453  187.835 6.7349  184.367 6.7610  3.467896       9.543090 
1 1 1 -15 1   31 o 41.243  5.2143  210.779    51.015   232.292    74.279   191.572    70.187   42.924  7.3990  38.834  7.7205  4.089691       10.69351 
1 1 1 -15 1   32 o 120.092 4.0158  1756.43    117.019  1854.19    168.113  1664.54    162.986  123.163 5.6255  116.674 5.7572  6.489166       8.049311 
1 1 1 -15 1   33 o 43.102  4.8274  229.610    49.620   226.008    71.583   232.942    68.844   42.290  7.2363  43.037  6.8200  -0.7473946     9.943637 
1 1 1 -15 1   34 o 33.641  5.7880  142.570    45.542   118.841    67.271   162.648    61.877   30.535  8.6731  35.673  7.3917  -5.137877      11.39562 
1 1 1 -15 1   35 o 81.638  3.9193  813.093    77.637   797.995    111.388  827.358    108.270  80.423  5.7460  81.958  5.4759  -1.534935      7.937379 
1 1 1 -15 1   36 o 59.094  4.2328  428.948    60.290   522.053    86.581   341.302    84.004   64.957  5.5464  52.127  6.8038  12.82967       8.778099 
1 1 1 -15 1   37 o 103.193 3.9949  1301.57    100.027  1359.86    143.667  1246.73    139.350  104.941 5.6632  100.443 5.7415  4.497383       8.064520 
1 1 1 -15 1   38 o 56.459  5.6200  396.765    75.967   373.741    93.000   442.935    131.695  54.330  7.2345  58.369  9.6349  -4.038399      12.04864 
1 1 1 -15 1   39 f 62.104  5.6262  480.055    83.860   523.122    101.574  387.847    148.626  64.563  6.5756  53.567  11.757  10.99576       13.47128 
1 1 1 -15 1   40 o 79.950  5.4373  793.039    104.852  817.297    128.943  745.689    180.150  80.737  6.6409  75.534  10.081  5.203323       12.07181 
1 1 1 -15 1   41 o 92.114  4.2709  1041.63    95.456   1139.74    138.235  952.202    131.974  95.640  5.9870  87.272  6.2741  8.367821       8.672276 
1 1 1 -15 1   42 f 100.882 4.2997  1250.18    105.250  1461.23    152.825  1059.77    145.162  108.357 5.8341  91.922  6.5512  16.43494       8.772398 
1 1 1 -15 1   43 o 20.728  7.8783  40.435     54.735   300.418    162.398  7.1160     58.137   46.117  13.591  18.168  7.6750  27.94924       15.60818 
1 1 1 -15 1   44 o 28.376  8.5131  104.722    63.281   -131.3161  170.763  142.297    68.132   24.458  11.458  32.759  8.4988  -8.301224      14.26598 
1 1 1 -15 1   45 f 17.913  7.5688  7.4064     56.556   15.403     151.471  6.1109     60.965   27.986  12.116  18.420  7.8247  9.566050       14.42314 
1 1 1 -15 1   46 f 49.643  5.1407  309.040    61.024   355.783    91.188   271.127    82.125   52.464  7.3662  45.552  7.7050  6.912052       10.65967 
1 1 1 -15 1   47 o 28.074  7.6447  104.455    53.479   116.045    82.304   95.986     70.355   29.790  9.8180  27.382  9.0799  2.407450       13.37298 
1 1 1 -15 1   48 o 16.336  7.0876  -2.9384    52.057   -19.7572   75.037   12.667     72.280   18.463  8.2380  20.151  8.5379  -1.688065      11.86423 
1 1 1 -15 1   49 o 17.779  7.3867  14.650     52.500   29.459     70.277   -4.0496    78.973   21.092  8.6323  19.793  8.6561  1.299633       12.22475 
1 1 1 -15 1   50 o 23.007  8.0338  64.591     55.182   114.984    74.092   1.8199     82.692   29.164  9.2925  20.488  8.9111  8.676117       12.87471 
1 1 1 -15 1   51 o 20.271  7.9204  37.953     56.413   3.5850     71.566   94.354     91.678   19.275  8.3365  27.716  10.267  -8.440680      13.22512 
1 1 1 -15 1   52 o 12.534  5.9985  -65.6744   51.811   -172.1102  64.894   121.454    86.046   11.239  5.6262  29.862  10.044  -18.62292      11.51247 
1 1 1 -15 1   53 o 13.588  6.4884  -71.9199   59.911   -52.0144   65.298   -177.8462  150.632  15.293  7.1388  20.653  9.9702  -5.359847      12.26247 
1 1 1 -15 1   54 o 38.139  8.7138  200.820    78.873   182.865    88.599   269.398    173.150  35.893  9.8671  41.283  14.241  -5.390575      17.32556 
1 1 1 -15 1   55 o 74.110  6.6813  711.507    118.853  711.507    118.853  0.0000     0.0000   74.110  6.6813  ?       ?       0.000000       6.681325 
1 1 1 -15 1   56 o 48.523  5.7237  302.543    66.092   228.472    88.385   396.499    99.544   40.340  9.2297  54.470  7.7503  -14.12941      12.05218 
1 1 1 -15 1   57 o 16.734  7.8046  -55.8001   77.769   -138.2518  218.735  -43.8694   83.205   26.134  12.457  17.939  8.2636  8.195198       14.94863 
1 1 1 -15 2   1  o 245.904 7.7552  7391.94    462.723  8196.40    677.244  6687.60    633.702  258.019 10.818  232.938 11.212  25.08110       15.57973 
1 1 1 -15 2   2  o 106.053 5.3917  1372.94    138.286  1564.07    225.026  1256.95    175.292  112.769 8.2818  101.214 7.1843  11.55499       10.96372 
1 1 1 -15 2   3  o 199.336 6.8471  4848.02    331.174  4994.60    491.881  4726.49    447.903  201.669 10.052  196.331 9.4022  5.338699       13.76396 
1 1 1 -15 2   4  o 77.182  3.6417  723.854    68.200   786.306    98.466   666.268    94.552   80.223  5.0848  73.793  5.3163  6.429794       7.356524 
1 1 1 -15 2   5  o 84.871  5.0806  879.646    104.145  0.0000     0.0000   879.646    104.145  ?       ?       84.871  5.0806  0.000000       5.080626 
1 1 1 -15 2   6  o 116.579 5.3593  1654.37    151.599  0.0000     0.0000   1654.37    151.599  ?       ?       116.579 5.3593  0.000000       5.359336 
1 1 1 -15 2   7  o 113.548 5.3014  1569.33    146.062  0.0000     0.0000   1569.33    146.062  ?       ?       113.548 5.3014  0.000000       5.301448 
1 1 1 -15 2   8  f 92.774  3.7802  1045.97    85.095   1214.49    125.416  902.209    115.839  99.760  5.1992  85.898  5.5883  13.86202       7.632886 
1 1 1 -15 2   9  o 69.966  4.0753  597.085    68.886   643.761    88.352   524.721    110.009  72.560  5.0498  65.196  7.0673  7.363930       8.686011 
1 1 1 -15 2   10 o 191.077 4.7174  4441.42    218.713  4422.24    308.946  4460.70    309.668  190.405 6.6871  191.233 6.6737  -0.8281860     9.447580 
1 1 1 -15 2   11 o 106.122 3.7834  1368.74    97.421   1527.88    137.678  1209.14    137.872  112.044 5.0642  99.466  5.7370  12.57800       7.652406 
1 1 1 -15 2   12 o 243.032 6.3134  7201.99    372.297  7543.75    628.774  7017.50    461.986  247.644 10.464  239.546 7.9483  8.097931       13.14054 
1 1 1 -15 2   13 o 221.376 5.1204  5965.79    275.041  5925.81    388.846  6005.83    389.088  220.252 7.2760  221.743 7.2316  -1.491318      10.25847 
1 1 1 -15 2   14 o 38.627  4.7137  184.221    43.262   207.688    61.591   161.367    60.781   40.775  6.4391  35.709  7.2622  5.065098       9.705754 
1 1 1 -15 2   15 o 32.816  5.2841  134.424    40.646   152.818    58.988   117.794    56.087   34.734  7.2341  30.450  7.6118  4.283384       10.50108 
1 1 1 -15 2   16 o 160.797 4.3074  3144.62    168.058  3169.04    237.553  3120.15    237.788  161.223 6.0725  159.968 6.1262  1.255325       8.625876 
1 1 1 -15 2   17 o 109.079 5.3191  1448.91    140.780  1354.41    181.034  1593.48    223.922  105.067 7.1436  113.820 8.1622  -8.752853      10.84680 
1 1 1 -15 2   18 o 211.011 7.1566  5438.25    366.417  5494.29    495.089  5370.39    544.862  211.518 9.6466  208.533 10.805  2.984833       14.48488 
1 1 1 -15 2   19 o 171.056 6.3198  3568.41    262.305  3554.57    349.280  3586.32    397.241  170.375 8.4490  170.636 9.6338  -0.2612915     12.81388 
1 1 1 -15 2   20 o 39.971  4.8078  197.203    45.695   251.734    66.559   148.589    62.845   45.011  6.2642  34.192  7.7535  10.81890       9.967807 
1 1 1 -15 2   21 o 40.708  4.7873  204.405    46.382   228.507    67.582   182.943    63.772   42.762  6.7363  38.093  7.1626  4.669483       9.832582 
1 1 1 -15 2   22 o 114.031 3.9397  1580.78    109.007  1645.51    154.291  1516.27    154.027  116.231 5.4709  111.408 5.7172  4.822655       7.913040 
1 1 1 -15 2   23 o 274.828 6.0911  9209.33    406.185  9222.93    575.565  9195.84    573.307  274.338 8.6466  273.941 8.6251  0.3963928      12.21294 
1 1 1 -15 2   24 o 108.760 3.9328  1438.14    103.785  1282.98    148.841  1584.97    144.791  102.406 6.0165  114.084 5.2306  -11.67846      7.972313 
1 1 1 -15 2   25 o 179.879 6.6754  3950.31    291.355  4061.23    448.004  3869.02    383.543  181.346 10.223  177.359 8.9412  3.987534       13.58153 
1 1 1 -15 2   26 f 146.386 6.1499  2614.26    218.442  2673.34    347.040  2575.49    281.118  147.099 9.7788  144.797 8.0329  2.301788       12.65513 
1 1 1 -15 2   27 o 109.459 5.8347  1465.34    154.407  1621.52    259.121  1379.35    192.271  114.455 9.4139  105.903 7.5315  8.552574       12.05595 
1 1 1 -15 2   28 o 37.741  5.5772  177.391    49.535   174.343    74.144   179.847    66.572   36.968  8.4502  37.670  7.5464  -0.7023506     11.32935 
1 1 1 -15 2   29 o 223.660 5.3127  6099.63    288.314  6329.77    409.704  5873.87    405.798  227.294 7.4288  218.894 7.6403  8.400269       10.65652 
1 1 1 -15 2   30 o 36.060  5.5343  162.324    46.876   169.716    68.378   155.769    64.388   36.484  7.9489  34.950  7.7915  1.534321       11.13073 
1 1 1 -15 2   31 o 140.818 4.3070  2415.73    147.164  2414.61    210.885  2416.80    205.465  140.477 6.1869  140.572 6.0239  -0.9480286E-01 8.635090 
1 1 1 -15 2   32 o 124.851 4.1317  1899.45    125.164  1929.45    179.588  1871.11    174.538  125.548 5.8953  123.650 5.8175  1.898178       8.282317 
1 1 1 -15 2   33 o 46.560  4.6820  267.334    52.177   210.633    76.875   315.764    71.048   40.591  8.0894  50.420  5.9201  -9.829479      10.02424 
1 1 1 -15 2   34 o 97.422  3.9836  1157.73    94.166   1149.69    135.190  1165.30    131.241  96.626  5.7929  97.333  5.5804  -0.7070389     8.043509 
1 1 1 -15 2   35 o 71.092  4.0570  619.093    69.692   661.916    101.200  580.463    96.117   73.176  5.7459  68.475  5.8408  4.700478       8.193318 
1 1 1 -15 2   36 o 53.745  4.4071  355.767    56.966   435.564    83.794   287.194    77.678   59.179  5.9148  47.687  6.9149  11.49125       9.099499 
1 1 1 -15 2   37 o 38.473  5.1943  185.132    47.250   197.475    70.303   174.964    63.810   39.146  7.6760  36.863  7.3912  2.282383       10.65600 
1 1 1 -15 2   38 o 46.455  6.4159  272.409    70.389   224.474    84.963   377.307    125.686  41.444  8.7250  53.557  10.041  -12.11307      13.30193 
1 1 1 -15 2   39 o 59.901  5.8071  447.972    83.343   455.958    101.595  431.539    145.738  60.023  7.1142  56.842  10.964  3.180988       13.06984 
1 1 1 -15 2   40 o 37.458  5.3561  176.631    47.294   133.090    68.889   215.449    65.045   31.831  8.6801  41.053  6.7656  -9.221731      11.00532 
1 1 1 -15 2   41 o 53.482  5.0841  356.002    65.182   389.007    98.941   330.693    86.641   55.117  7.6005  50.880  7.2206  4.236732       10.48353 
1 1 1 -15 2   42 o 47.473  5.7134  283.338    64.489   204.044    94.634   352.087    88.118   38.959  9.9696  52.536  7.0940  -13.57641      12.23593 
1 1 1 -15 2   43 o 67.098  6.0431  565.005    97.330   786.715    213.428  506.791    109.363  75.987  11.972  63.045  7.2833  12.94193       14.01343 
1 1 1 -15 2   44 o 73.845  7.1854  694.108    127.117  276.329    232.615  871.989    151.785  44.513  16.379  82.585  7.6620  -38.07151      18.08209 
1 1 1 -15 2   45 o 32.309  10.223  138.570    89.787   181.498    181.512  124.663    103.312  37.959  14.366  31.446  10.992  6.513025       18.08890 
1 1 1 -15 2   46 o 45.016  6.1738  258.812    65.659   259.793    92.652   257.822    93.062   43.969  8.9879  43.766  9.0617  0.2026062      12.76308 
1 1 1 -15 2   47 o 37.451  7.0188  183.734    61.438   131.202    81.840   251.566    92.998   31.217  9.7430  43.029  9.1870  -11.81133      13.39124 
1 1 1 -15 2   48 o 13.326  6.2289  -44.2190   49.983   -87.8748   67.328   9.3845     74.606   14.165  6.7947  20.160  8.6120  -5.995126      10.96971 
1 1 1 -15 2   49 o 32.015  7.6995  138.073    59.078   152.968    80.530   120.713    86.936   33.206  9.5094  30.024  10.096  3.182016       13.86915 
1 1 1 -15 2   50 o 24.094  8.2817  72.946     58.529   55.105     74.772   101.172    94.051   23.451  9.1308  28.417  10.421  -4.965559      13.85507 
1 1 1 -15 2   51 o 23.345  8.2195  66.903     57.826   114.663    73.527   -10.5329   93.624   29.005  9.2586  20.887  9.2675  8.118214       13.09999 
1 1 1 -15 2   52 o 18.943  8.0409  11.864     64.298   35.367     74.209   -58.9213   128.784  21.763  8.8845  22.194  10.244  -0.4311123     13.56016 
1 1 1 -15 2   53 o 44.015  8.2464  262.900    84.834   264.319    94.692   257.129    190.953  43.578  9.2420  40.348  14.840  3.229504       17.48296 
1 1 1 -15 2   54 o 39.017  8.9578  211.350    83.012   211.350    83.012   0.0000     0.0000   39.017  8.9578  ?       ?       0.000000       8.957772 
1 1 1 -15 2   55 o 23.903  9.2652  59.972     76.725   59.972     76.725   0.0000     0.0000   23.903  9.2652  ?       ?       0.000000       9.265246 
1 1 1 -15 2   56 o 37.325  10.484  203.691    98.870   -146.1738  231.117  282.059    109.384  26.806  12.785  44.071  10.397  -17.26536      16.47879 
1 1 1 -15 3   1  o 119.823 5.4454  1748.40    158.318  1830.47    247.857  1691.83    205.763  122.003 8.4244  117.479 7.2539  4.523842       11.11707 
1 1 1 -15 3   2  o 76.613  3.7174  713.318    69.105   839.086    100.580  600.862    95.108   82.883  5.0250  70.012  5.6466  12.87135       7.558760 
1 1 1 -15 3   3  o 72.521  3.7315  640.822    65.439   725.654    94.590   562.950    90.626   77.051  5.0881  67.766  5.5606  9.284729       7.537186 
1 1 1 -15 3   4  o 83.728  5.0911  856.273    102.939  0.0000     0.0000   856.273    102.939  ?       ?       83.728  5.0911  0.000000       5.091122 
1 1 1 -15 3   5  o 102.841 5.2911  1290.78    131.585  0.0000     0.0000   1290.78    131.585  ?       ?       102.841 5.2911  0.000000       5.291145 
1 1 1 -15 3   6  o 31.165  7.7059  123.343    57.943   0.0000     0.0000   123.343    57.943   ?       ?       31.165  7.7059  0.000000       7.705927 
1 1 1 -15 3   7  o 112.880 4.0612  1548.89    111.233  1731.38    160.012  1378.24    154.735  119.245 5.5303  106.186 6.0305  13.05867       8.182370 
1 1 1 -15 3   8  o 87.529  3.7235  931.029    79.079   947.086    109.123  913.269    114.760  88.067  5.1289  86.432  5.5007  1.634590       7.520825 
1 1 1 -15 3   9  o 70.978  3.7820  613.994    64.899   614.497    91.675   613.488    91.889   70.843  5.3732  70.782  5.3908  0.6085205E-01  7.611345 
1 1 1 -15 3   10 o 74.392  3.6893  672.542    66.594   724.341    94.146   620.675    94.209   76.980  5.0687  71.182  5.4971  5.798042       7.477275 
1 1 1 -15 3   11 o 120.261 3.8600  1757.95    112.635  1839.16    159.100  1676.34    159.481  122.902 5.3351  117.314 5.6027  5.587738       7.736519 
1 1 1 -15 3   12 o 155.424 4.2410  2937.54    159.937  3096.84    226.216  2778.33    226.153  159.416 5.8483  150.957 6.1742  8.458405       8.504340 
1 1 1 -15 3   13 o 16.117  6.1802  21.164     33.870   5.5532     48.248   36.331     47.557   16.820  7.0425  19.809  7.3833  -2.989279      10.20343 
1 1 1 -15 3   14 o 25.004  6.2711  79.228     37.979   118.019    54.822   43.429     52.665   30.476  7.4713  21.181  7.7933  9.294386       10.79610 
1 1 1 -15 3   15 o 141.671 4.6157  2441.95    158.666  2410.91    260.762  2460.20    199.938  140.206 7.6944  142.082 5.7995  -1.875931      9.635273 
1 1 1 -15 3   16 o 208.867 7.1136  5328.30    360.514  5326.73    486.205  5330.23    537.303  208.258 9.6217  207.768 10.694  0.4904022      14.38559 
1 1 1 -15 3   17 o 311.841 9.4177  11935.94   712.596  11522.03   981.401  12397.51   1036.37  304.650 13.276  315.879 13.522  -11.22842      18.94990 
1 1 1 -15 3   18 o 275.503 8.6083  9298.21    575.454  9197.08    788.010  9413.75    842.334  272.803 11.905  275.698 12.592  -2.895447      17.32843 
1 1 1 -15 3   19 o 81.476  3.7968  806.899    75.060   803.169    105.531  810.717    106.783  81.032  5.3982  81.409  5.4372  -0.3765793     7.661849 
1 1 1 -15 3   20 o 77.774  3.8110  735.255    71.918   782.748    102.409  689.040    101.021  80.002  5.3058  75.003  5.5912  4.998970       7.707940 
1 1 1 -15 3   21 o 169.967 4.4526  3514.01    183.627  3771.48    260.482  3259.66    258.901  175.880 6.1038  163.453 6.5279  12.42700       8.936990 
1 1 1 -15 3   22 o 217.750 5.2779  5773.99    278.858  5687.61    394.574  5860.19    394.157  215.696 7.5391  218.971 7.4186  -3.274323      10.57703 
1 1 1 -15 3   23 o 90.530  4.0474  996.531    88.906   1047.44    123.638  942.028    127.936  92.560  5.5304  87.693  6.0496  4.867325       8.196542 
1 1 1 -15 3   24 o 140.205 4.2472  2390.91    144.486  2360.23    203.924  2421.83    204.748  139.122 6.0410  140.933 5.9875  -1.810349      8.505480 
1 1 1 -15 3   25 o 110.189 6.0378  1485.20    160.814  1448.22    258.090  1508.67    205.605  108.042 9.9570  110.777 7.6971  -2.734802      12.58514 
1 1 1 -15 3   26 o 152.263 6.3950  2830.21    236.266  2794.91    366.908  2855.21    308.812  150.289 10.120  152.372 8.3849  -2.083328      13.14272 
1 1 1 -15 3   27 o 163.385 6.2990  3259.32    249.715  4265.85    388.125  2548.38    326.196  186.411 8.5810  143.614 9.4129  42.79633       12.73721 
1 1 1 -15 3   28 o 217.652 5.2596  5774.84    277.764  5546.29    393.831  6001.04    391.811  212.741 7.6295  221.386 7.2939  -8.645081      10.55511 
1 1 1 -15 3   29 o 120.039 4.1716  1753.94    121.502  1748.73    170.722  1759.29    172.961  119.666 5.8797  120.019 5.9393  -0.3526764     8.357383 
1 1 1 -15 3   30 f 160.354 4.4952  3132.96    174.900  3097.45    247.806  3168.20    246.889  159.089 6.4196  160.916 6.3232  -1.827667      9.010806 
1 1 1 -15 3   31 o 35.713  5.9991  160.239    50.141   190.377    66.571   120.723    76.226   38.740  7.3510  31.057  9.3493  7.683207       11.89310 
1 1 1 -15 3   32 f 78.192  4.2115  747.576    79.608   673.872    110.886  825.967    114.359  73.869  6.2451  81.927  5.7901  -8.057922      8.516206 
1 1 1 -15 3   33 o 35.086  6.0512  155.275    49.655   178.772    65.346   123.170    76.382   37.418  7.4592  31.219  9.3500  6.199455       11.96083 
1 1 1 -15 3   34 o 27.232  6.8741  95.060     45.426   104.877    59.312   81.132     70.648   28.673  8.1438  26.502  9.0994  2.170589       12.21153 
1 1 1 -15 3   35 o 88.118  4.1322  948.846    88.351   952.150    122.375  945.248    127.689  87.790  5.7772  87.392  6.0591  0.3980255      8.371918 
1 1 1 -15 3   36 o 27.968  6.8872  100.807    46.428   88.083     63.146   115.781    68.500   26.722  8.5855  30.038  8.8195  -3.315382      12.30828 
1 1 1 -15 3   37 o 37.171  7.1373  177.507    62.032   149.934    73.349   246.761    116.245  33.842  8.8369  42.929  11.084  -9.086922      14.17524 
1 1 1 -15 3   38 o 66.892  5.6130  556.430    90.262   601.981    109.843  461.714    158.391  69.276  6.6151  58.634  11.544  10.64247       13.30506 
1 1 1 -15 3   39 o 32.464  7.4082  137.186    57.066   105.438    68.302   210.588    103.855  28.716  8.8906  39.594  10.600  -10.87779      13.83472 
1 1 1 -15 3   40 o 104.679 4.4028  1346.36    111.829  1337.16    158.941  1355.38    157.371  103.434 6.3638  104.191 6.2538  -0.7569275     8.922345 
1 1 1 -15 3   41 o 60.539  4.9791  455.058    72.491   350.699    100.717  567.224    104.418  52.016  8.2558  67.130  6.4916  -15.11401      10.50232 
1 1 1 -15 3   42 o 13.879  6.6469  -85.1535   63.876   -136.2897  150.106  -73.8459   70.586   22.503  10.605  15.371  7.2524  7.132581       12.84780 
1 1 1 -15 3   43 o 63.468  7.5177  515.917    113.522  424.219    213.262  552.174    134.100  53.404  15.528  65.128  8.7036  -11.72466      17.80079 
1 1 1 -15 3   44 o 35.854  10.156  174.415    92.371   87.698     183.388  203.896    106.926  33.329  13.823  38.516  10.933  -5.186405      17.62387 
1 1 1 -15 3   45 o 18.301  7.5601  16.047     54.545   46.638     78.715   -12.2081   75.652   23.484  9.3003  19.085  8.4060  4.399225       12.53616 
1 1 1 -15 3   46 o 49.282  5.8179  308.278    68.229   182.699    92.673   456.910    100.821  36.379  10.126  59.533  7.1209  -23.15388      12.37948 
1 1 1 -15 3   47 o 64.971  4.9334  528.354    77.193   464.775    107.011  597.330    111.459  59.696  7.5570  68.182  6.8291  -8.485661      10.18552 
1 1 1 -15 3   48 o 33.202  7.5754  147.729    59.680   103.397    82.787   195.695    86.113   28.339  9.8433  37.552  9.4565  -9.213120      13.64973 
1 1 1 -15 3   49 o 45.380  6.3941  267.004    68.455   261.751    93.646   273.032    100.317  43.556  9.1517  44.246  9.6185  -0.6899529     13.27664 
1 1 1 -15 3   50 o 48.996  6.1863  310.110    71.907   380.122    93.319   207.790    112.815  53.682  7.3579  37.646  11.383  16.03664       13.55411 
1 1 1 -15 3   51 o 43.257  6.7269  245.576    68.311   242.179    88.906   250.473    106.731  41.768  9.0352  41.624  10.553  0.1443329      13.89262 
1 1 1 -15 3   52 o 21.522  8.8056  33.620     73.101   118.427    83.827   -235.6222  149.362  29.515  9.9137  19.249  9.4341  10.26567       13.68515 
1 1 1 -15 3   53 o 28.521  9.7842  108.268    81.674   108.268    81.674   0.0000     0.0000   28.521  9.7842  ?       ?       0.000000       9.784227 
1 1 1 -15 3   54 o 19.484  8.2897  12.351     68.627   12.351     68.627   0.0000     0.0000   19.484  8.2897  ?       ?       0.000000       8.289726 
1 1 1 -15 3   55 o 31.034  7.8828  131.940    59.472   157.017    76.889   94.592     93.833   33.386  9.1976  27.649  10.358  5.737877       13.85224 
1 1 1 -15 3   56 o 38.154  11.201  219.046    110.500  67.259     258.129  253.102    122.270  33.108  14.982  40.648  11.740  -7.539547      19.03382 
1 1 1 -15 4   1  o 236.651 5.3510  6819.21    307.259  7188.35    433.000  6444.81    436.076  242.579 7.3565  229.587 7.8280  12.99228       10.74222 
1 1 1 -15 4   2  f 168.202 4.3866  3440.68    179.031  3612.85    253.042  3268.11    253.333  172.172 6.0571  163.711 6.3775  8.460846       8.795530 
1 1 1 -15 4   3  o 75.099  3.6860  685.382    67.166   712.226    97.476   661.115    92.680   76.306  5.2976  73.512  5.2301  2.794357       7.444315 
1 1 1 -15 4   4  o 103.714 5.3616  1313.04    134.464  0.0000     0.0000   1313.04    134.464  ?       ?       103.714 5.3616  0.000000       5.361583 
1 1 1 -15 4   5  o 115.387 5.4206  1621.05    151.765  0.0000     0.0000   1621.05    151.765  ?       ?       115.387 5.4206  0.000000       5.420625 
1 1 1 -15 4   6  o 117.257 4.6600  1672.46    132.583  1772.22    246.890  1632.04    157.167  120.038 8.5322  115.764 5.5953  4.273834       10.20320 
1 1 1 -15 4   7  o 108.394 4.0221  1428.23    105.784  1494.41    152.163  1366.34    147.165  110.622 5.6882  105.754 5.7568  4.868019       8.092946 
1 1 1 -15 4   8  o 126.649 3.9845  1949.80    122.445  1838.11    170.720  2068.12    175.713  122.840 5.7277  130.314 5.5571  -7.474571      7.980482 
1 1 1 -15 4   9  o 172.249 4.4500  3608.51    185.987  3657.06    261.101  3558.49    264.992  173.201 6.2129  170.826 6.3931  2.374313       8.914742 
1 1 1 -15 4   10 o 237.224 5.3847  6852.65    309.943  6660.16    436.835  7047.79    439.830  233.415 7.7130  240.150 7.5481  -6.734741      10.79189 
1 1 1 -15 4   11 o 197.188 4.8134  4731.57    230.302  4600.81    324.228  4864.72    327.185  194.140 6.8829  199.653 6.7539  -5.513077      9.643105 
1 1 1 -15 4   12 o 209.914 5.0801  5364.13    258.748  5401.32    365.760  5326.88    366.089  210.286 7.1684  208.820 7.2252  1.465347       10.17790 
1 1 1 -15 4   13 o 55.608  3.9878  377.873    53.449   317.089    75.714   438.254    75.463   50.605  6.3029  59.764  5.2574  -9.159275      8.207747 
1 1 1 -15 4   14 o 274.888 6.0976  9213.39    406.703  9224.96    574.972  9201.79    575.358  274.373 8.6366  274.023 8.6534  0.3501587      12.22586 
1 1 1 -15 4   15 o 146.246 5.8912  2606.85    209.051  2600.04    276.009  2616.02    320.166  145.589 7.8422  145.763 9.0979  -0.1737061     12.01127 
1 1 1 -15 4   16 o 146.949 5.9421  2632.09    211.870  2649.90    278.777  2607.74    325.993  146.987 7.8449  145.495 9.2826  1.492340       12.15354 
1 1 1 -15 4   17 o 127.688 5.6255  1986.31    174.290  1959.10    226.088  2026.16    273.628  126.406 7.4036  128.275 8.8454  -1.868805      11.53493 
1 1 1 -15 4   18 o 93.996  4.2466  1074.44    96.853   1181.19    156.469  1008.13    123.317  98.171  6.6072  90.796  5.6252  7.375641       8.677422 
1 1 1 -15 4   19 o 23.624  6.7252  69.779     40.400   96.110     59.154   46.760     55.309   27.810  8.2044  21.827  7.9932  5.983204       11.45442 
1 1 1 -15 4   20 o 287.608 6.3108  10088.57   440.399  9983.17    623.115  10193.78   622.521  285.325 9.0004  288.354 8.8974  -3.029053      12.65590 
1 1 1 -15 4   21 o 116.637 3.9260  1653.89    111.109  1506.87    157.449  1799.73    156.816  111.038 5.8647  121.566 5.3164  -10.52819      7.915721 
1 1 1 -15 4   22 f 223.835 5.3308  6102.07    289.523  5873.28    409.372  6331.02    409.524  219.139 7.6990  227.584 7.4161  -8.445175      10.68985 
1 1 1 -15 4   23 o 252.642 5.7491  7779.46    352.426  7832.79    498.802  7726.29    498.010  252.925 8.1278  251.187 8.1710  1.737579       11.52505 
1 1 1 -15 4   24 o 195.978 7.1813  4694.27    341.486  4314.86    515.905  4990.12    455.571  186.499 11.456  201.551 9.3155  -15.05234      14.76554 
1 1 1 -15 4   25 o 233.177 7.9128  6658.46    447.692  6437.29    665.390  6841.39    605.151  227.560 12.094  235.491 10.591  -7.931732      16.07589 
1 1 1 -15 4   26 o 94.350  6.2736  1091.42    142.804  749.459    234.549  1292.85    180.016  76.575  13.094  102.548 7.2820  -25.97330      14.98274 
1 1 1 -15 4   27 o 137.293 4.3984  2294.31    146.524  2164.00    206.809  2425.66    207.625  133.094 6.4040  140.960 6.0704  -7.866196      8.823875 
1 1 1 -15 4   28 o 71.781  4.2419  629.348    73.553   661.026    101.762  594.694    106.435  73.368  5.7626  69.466  6.3862  3.902336       8.601800 
1 1 1 -15 4   29 o 68.580  4.2851  574.946    70.947   521.709    97.448   634.993    103.494  65.024  6.2535  71.839  5.9920  -6.815132      8.660826 
1 1 1 -15 4   30 o 150.830 4.4574  2772.73    163.130  2835.72    230.914  2709.97    230.488  152.197 6.2529  148.755 6.3858  3.441589       8.937393 
1 1 1 -15 4   31 o 127.654 4.2629  1986.58    132.039  1845.57    185.955  2129.98    187.518  122.540 6.2752  131.898 5.8592  -9.358307      8.585364 
1 1 1 -15 4   32 o 36.473  5.9224  167.182    50.615   73.275     67.145   290.775    77.030   25.520  8.8647  48.166  6.7786  -22.64530      11.15941 
1 1 1 -15 4   33 o 76.115  4.1437  709.204    76.240   744.140    105.964  671.708    109.777  77.679  5.6610  73.658  6.1998  4.020172       8.395507 
1 1 1 -15 4   34 o 65.616  4.3294  528.538    68.542   488.526    94.370   573.213    99.716   62.658  6.2922  67.964  6.1121  -5.305832      8.772123 
1 1 1 -15 4   35 o 46.704  5.1277  270.905    57.152   235.227    78.153   311.915    83.791   42.822  7.8094  49.652  7.1621  -6.829899      10.59629 
1 1 1 -15 4   36 o 88.606  4.1286  960.791    88.762   846.748    122.916  1085.07    128.316  82.523  6.1836  93.641  5.6742  -11.11876      8.392434 
1 1 1 -15 4   37 o 59.398  5.8617  440.270    83.379   496.034    103.498  337.155    140.740  62.756  6.9115  49.889  11.810  12.86731       13.68346 
1 1 1 -15 4   38 o 30.181  7.8285  118.836    57.816   152.746    67.579   26.245     111.668  34.129  8.2515  25.543  10.705  8.586281       13.51643 
1 1 1 -15 4   39 o 21.404  7.2948  53.680     45.394   43.215     58.729   69.211     71.546   21.464  8.1601  25.106  9.1067  -3.641788      12.22776 
1 1 1 -15 4   40 o 55.711  5.2191  386.648    69.729   436.267    98.021   335.816    99.212   58.617  7.0321  50.862  8.3273  7.755074       10.89932 
1 1 1 -15 4   41 o 32.134  7.7729  135.560    59.945   234.003    82.129   23.328     87.693   42.252  8.3072  22.888  9.5310  19.36394       12.64317 
1 1 1 -15 4   42 o 27.578  8.4691  98.053     62.123   69.142     80.057   141.812    98.491   25.626  9.5739  32.972  10.734  -7.346325      14.38326 
1 1 1 -15 4   43 o 56.037  8.1496  408.133    107.563  240.604    205.898  471.015    126.145  42.082  15.421  59.881  8.9571  -17.79846      17.83321 
1 1 1 -15 4   44 o 60.572  7.8770  475.643    113.030  152.643    216.363  596.882    132.557  37.628  15.242  67.758  8.2317  -30.12957      17.32243 
1 1 1 -15 4   45 o 12.496  5.9596  -62.5439   50.218   20.351     68.593   -158.3005  73.723   20.361  8.4500  12.926  6.3907  7.435154       10.59446 
1 1 1 -15 4   46 f 40.633  6.8110  214.835    64.775   167.187    88.124   270.833    95.535   34.809  9.9406  44.684  9.1201  -9.874813      13.49044 
1 1 1 -15 4   47 o 27.980  8.0831  104.789    57.956   92.581     79.610   118.556    84.537   27.245  9.6386  29.865  9.9554  -2.620237      13.85689 
1 1 1 -15 4   48 o 46.052  6.2060  273.559    67.581   282.295    91.711   263.178    99.969   45.629  8.5989  43.416  9.7305  2.213043       12.98554 
1 1 1 -15 4   49 o 93.593  4.7075  1096.22    106.564  1145.79    147.335  1041.84    154.315  94.431  6.4692  89.463  7.1691  4.967560       9.656435 
1 1 1 -15 4   50 o 56.344  5.5851  404.929    75.351   389.551    99.753   425.363    114.988  54.027  7.8382  55.889  8.7678  -1.861828      11.76064 
1 1 1 -15 4   51 o 20.312  8.6029  16.689     73.345   18.916     84.093   9.6085     149.940  21.570  9.1770  26.497  11.744  -4.926720      14.90423 
1 1 1 -15 4   52 o 39.685  9.7474  223.223    93.179   223.223    93.179   0.0000     0.0000   39.685  9.7474  ?       ?       0.000000       9.747417 
1 1 1 -15 4   53 o 22.000  9.0531  33.994     77.821   33.994     77.821   0.0000     0.0000   22.000  9.0531  ?       ?       0.000000       9.053066 
1 1 1 -15 4   54 o 29.486  8.2974  119.472    61.867   111.621    78.307   132.512    100.922  28.683  9.5820  31.024  10.863  -2.340458      14.48503 
1 1 1 -15 4   55 o 66.639  9.0488  612.418    142.529  526.349    295.236  638.573    162.751  50.790  18.487  66.877  10.365  -16.08774      21.19478 
1 1 1 -15 5   1  o 187.587 4.7055  4281.33    214.175  4468.89    301.753  4090.91    304.037  191.405 6.4973  183.077 6.8443  8.327835       9.437132 
1 1 1 -15 5   2  o 161.185 4.3118  3159.43    168.634  3360.73    238.760  2959.06    238.210  166.066 5.9254  155.781 6.3020  10.28534       8.650180 
1 1 1 -15 5   3  o 206.143 7.0270  5187.54    351.482  0.0000     0.0000   5187.54    351.482  ?       ?       206.143 7.0270  0.000000       7.027014 
1 1 1 -15 5   4  o 193.096 6.8667  4550.22    321.727  0.0000     0.0000   4550.22    321.727  ?       ?       193.096 6.8667  0.000000       6.866739 
1 1 1 -15 5   5  o 96.039  5.2533  1126.18    121.953  0.0000     0.0000   1126.18    121.953  ?       ?       96.039  5.2533  0.000000       5.253278 
1 1 1 -15 5   6  o 208.744 5.1534  5304.00    261.019  5815.14    369.762  4796.32    368.513  218.270 6.9818  198.105 7.6664  20.16402       10.36914 
1 1 1 -15 5   7  o 204.244 4.9699  5076.70    246.296  5059.65    347.946  5093.82    348.685  203.582 7.0438  204.270 7.0350  -0.6878815     9.955222 
1 1 1 -15 5   8  o 179.459 6.0591  3925.48    263.840  3362.65    439.788  4241.96    329.777  164.850 11.059  186.358 7.2930  -21.50790      13.24720 
1 1 1 -15 5   9  o 187.612 4.7388  4282.68    215.722  4357.59    303.478  4206.18    306.701  188.986 6.6181  185.643 6.8088  3.342880       9.495239 
1 1 1 -15 5   10 o 43.758  4.4169  235.255    46.255   222.367    63.237   250.084    67.832   42.236  6.3685  44.834  6.4186  -2.597839      9.041941 
1 1 1 -15 5   11 o 148.029 4.2015  2664.72    150.909  2697.18    210.940  2630.69    215.985  148.765 5.8438  146.895 6.0597  1.870026       8.418433 
1 1 1 -15 5   12 o 248.879 5.5785  7546.23    336.873  7487.41    474.977  7605.76    477.856  247.385 7.9129  249.336 7.8986  -1.951202      11.18041 
1 1 1 -15 5   13 o 306.081 6.6100  11433.32   490.907  11172.35   693.117  11696.00   695.384  301.635 9.4703  308.695 9.2839  -7.060120      13.26186 
1 1 1 -15 5   14 o 198.145 6.7910  4792.82    326.500  4542.11    438.854  5103.63    488.626  192.349 9.4030  203.767 9.8828  -11.41765      13.64133 
1 1 1 -15 5   15 o 230.010 7.5632  6467.50    422.099  6422.51    572.596  6521.05    624.674  228.460 10.329  229.923 11.197  -1.463074      15.23391 
1 1 1 -15 5   16 o 201.371 7.0601  4952.19    344.962  5205.75    464.198  4639.45    515.531  205.967 9.2884  193.699 11.014  12.26778       14.40806 
1 1 1 -15 5   17 o 45.554  6.5529  258.304    70.347   230.595    85.985   314.394    122.334  42.640  8.6074  49.637  10.486  -6.997524      13.56617 
1 1 1 -15 5   18 o 161.108 4.3953  3157.05    171.819  3224.36    242.887  3089.63    243.090  162.617 6.1557  159.165 6.2944  3.451859       8.804077 
1 1 1 -15 5   19 o 208.711 5.1053  5303.15    258.544  5224.39    365.782  5381.77    365.491  206.784 7.2902  209.898 7.1764  -3.114441      10.22975 
1 1 1 -15 5   20 o 90.088  3.8021  986.534    83.109   1037.29    117.479  935.680    117.590  92.144  5.2764  87.463  5.5699  4.681358       7.672305 
1 1 1 -15 5   21 f 121.526 4.1918  1796.05    123.604  2280.02    174.298  1306.44    175.311  136.831 5.2498  103.186 7.0441  33.64474       8.785218 
1 1 1 -15 5   22 o 140.867 4.3271  2413.74    147.902  2330.45    209.256  2496.88    209.073  138.221 6.2394  143.098 6.0214  -4.877258      8.671064 
1 1 1 -15 5   23 o 61.576  7.3163  469.913    107.174  343.317    175.235  545.564    135.463  51.594  13.749  66.162  8.6448  -14.56748      16.24097 
1 1 1 -15 5   24 o 225.079 7.7333  6201.00    422.345  6048.51    630.980  6324.78    568.471  220.697 11.826  226.527 10.342  -5.829437      15.71053 
1 1 1 -15 5   25 o 124.164 6.1821  1881.55    186.250  1651.43    297.670  2029.59    238.760  115.152 10.779  128.524 7.6916  -13.37135      13.24190 
1 1 1 -15 5   26 o 200.421 5.0295  4893.82    244.588  4674.89    345.819  5112.96    345.979  195.436 7.2926  204.464 6.9738  -9.028503      10.09037 
1 1 1 -15 5   27 o 32.621  6.6589  134.805    50.923   109.868    66.246   170.820    79.614   29.623  8.6662  36.544  9.0308  -6.920439      12.51634 
1 1 1 -15 5   28 o 66.031  4.3306  533.182    68.999   564.862    95.052   497.893    100.320  67.760  5.8383  63.453  6.6130  4.307106       8.821432 
1 1 1 -15 5   29 o 92.536  4.1735  1042.89    93.707   1064.62    130.328  1019.62    134.831  93.153  5.7947  91.093  6.1359  2.060059       8.439705 
1 1 1 -15 5   30 o 84.837  4.1530  877.043    85.490   849.008    118.424  907.552    123.540  83.079  5.9133  85.899  5.9643  -2.820053      8.398772 
1 1 1 -15 5   31 o 51.391  4.7558  325.241    58.630   405.870    79.848   230.912    86.366   57.267  5.8276  42.423  8.6827  14.84372       10.45708 
1 1 1 -15 5   32 o 58.438  4.5935  419.786    64.608   348.967    88.287   501.440    94.801   52.740  7.0777  63.582  6.2247  -10.84139      9.425528 
1 1 1 -15 5   33 o 53.487  4.8028  352.931    61.668   354.880    83.078   350.539    92.029   53.259  6.5679  52.716  7.3986  0.5434608      9.893270 
1 1 1 -15 5   34 o 32.833  6.5090  137.688    50.023   158.205    65.291   108.527    77.839   34.974  7.8825  29.595  9.5346  5.379341       12.37103 
1 1 1 -15 5   35 o 84.709  4.1790  878.057    85.895   838.697    118.988  920.889    124.124  82.208  6.0068  86.172  5.9733  -3.964104      8.471208 
1 1 1 -15 5   36 o 85.997  5.5912  916.200    116.034  948.823    144.857  857.788    193.833  87.052  6.9149  81.369  10.030  5.682587       12.18252 
1 1 1 -15 5   37 o 66.392  5.9414  550.077    94.701   703.909    115.017  226.270    166.871  75.015  6.3795  41.364  13.987  33.65155       15.37309 
1 1 1 -15 5   38 o 11.651  5.5416  -52.8658   42.804   -68.5477   48.343   4.0440     92.093   11.957  5.7412  22.227  9.5334  -10.27045      11.12870 
1 1 1 -15 5   39 o 69.039  4.9103  590.427    81.720   487.266    113.119  703.036    118.186  61.732  7.7209  74.782  6.5804  -13.04984      10.14468 
1 1 1 -15 5   40 o 40.175  6.8156  207.181    64.064   290.008    87.466   111.321    94.097   47.319  7.8964  30.202  10.494  17.11627       13.13299 
1 1 1 -15 5   41 o 37.232  10.351  187.246    96.886   -53.1858   181.304  283.349    114.625  27.810  12.573  45.686  10.553  -17.87692      16.41455 
1 1 1 -15 5   42 o 84.077  6.8870  894.727    139.265  690.107    260.359  976.736    164.827  67.813  16.069  87.331  7.8628  -19.51875      17.88984 
1 1 1 -15 5   43 o 52.009  8.5783  355.971    104.479  123.602    204.247  438.322    121.591  35.924  14.711  57.621  8.9903  -21.69671      17.24057 
1 1 1 -15 5   44 o 32.922  7.6702  143.742    60.134   176.065    83.691   109.243    86.462   35.970  9.4620  29.346  10.067  6.623426       13.81569 
1 1 1 -15 5   45 o 33.155  7.7847  146.711    61.557   82.280     87.857   208.839    86.273   26.934  10.036  39.125  9.2361  -12.19074      13.63916 
1 1 1 -15 5   46 o 37.222  7.0972  182.443    61.760   184.048    85.204   180.665    89.649   36.487  9.5226  36.035  9.9333  0.4520988      13.76052 
1 1 1 -15 5   47 o 89.025  4.6403  988.833    99.889   873.684    139.146  1111.27    143.483  82.199  7.0446  93.269  6.3784  -11.06965      9.503159 
1 1 1 -15 5   48 o 33.922  7.5941  155.062    60.949   190.146    83.618   115.295    89.025   36.889  9.3343  29.459  10.209  7.430143       13.83292 
1 1 1 -15 5   49 o 47.318  6.1247  289.381    68.670   253.595    93.404   331.476    101.303  42.637  9.2910  49.212  8.8071  -6.574612      12.80189 
1 1 1 -15 5   50 o 50.276  5.8996  325.126    70.602   311.086    99.904   339.133    99.788   47.476  9.0019  49.902  8.5488  -2.426437      12.41439 
1 1 1 -15 5   51 o 16.249  7.4624  -37.8549   67.148   -22.5453   71.711   -146.8055  191.302  17.682  7.9585  24.531  11.681  -6.849266      14.13438 
1 1 1 -15 5   52 o 20.240  8.8444  0.0007     82.295   0.0007     82.295   0.0000     0.0000   20.240  8.8444  ?       ?       0.000000       8.844423 
1 1 1 -15 5   53 f 22.945  8.4523  60.988     61.974   10.680     80.347   134.881    97.377   20.649  8.8819  31.195  10.684  -10.54631      13.89373 
1 1 1 -15 5   54 o 21.677  9.2580  18.847     86.188   120.451    233.175  2.7686     92.758   34.366  14.955  21.381  9.3652  12.98540       17.64570 
1 1 1 -15 5   55 o 22.171  9.7809  2.5159     102.830  255.851    235.846  -56.9467   114.262  39.115  15.889  20.652  9.5735  18.46269       18.54997 
1 1 1 -15 6   1  o 108.001 3.7182  1417.67    97.437   1430.82    137.689  1404.48    137.906  108.404 5.2346  107.398 5.2921  1.006813       7.443618 
1 1 1 -15 6   2  o 111.668 5.3909  1518.55    146.067  0.0000     0.0000   1518.55    146.067  ?       ?       111.668 5.3909  0.000000       5.390869 
1 1 1 -15 6   3  o 99.837  5.4107  1217.35    130.583  0.0000     0.0000   1217.35    130.583  ?       ?       99.837  5.4107  0.000000       5.410712 
1 1 1 -15 6   4  o 125.031 5.6115  1904.24    170.240  0.0000     0.0000   1904.24    170.240  ?       ?       125.031 5.6115  0.000000       5.611527 
1 1 1 -15 6   5  o 158.859 6.8050  3079.88    262.304  3837.68    373.490  2342.31    368.469  176.998 8.6965  137.427 11.146  39.57156       14.13738 
1 1 1 -15 6   6  o 114.781 3.8066  1601.34    106.017  1585.16    149.380  1617.76    150.486  114.092 5.3960  115.260 5.3809  -1.168686      7.620414 
1 1 1 -15 6   7  o 110.537 3.8129  1485.16    102.266  1638.81    144.604  1331.40    144.649  116.026 5.1364  104.380 5.7333  11.64602       7.697630 
1 1 1 -15 6   8  o 101.392 3.7040  1249.46    91.126   1334.04    128.652  1164.31    129.092  104.686 5.0648  97.620  5.4720  7.065247       7.456255 
1 1 1 -15 6   9  o 141.865 4.1255  2447.20    142.010  2532.74    200.707  2361.46    200.958  144.171 5.7375  139.188 5.9503  4.983124       8.265888 
1 1 1 -15 6   10 o 56.907  4.1225  395.835    56.538   414.687    78.804   375.838    81.161   58.067  5.6653  55.179  6.1674  2.887321       8.374512 
1 1 1 -15 6   11 o 90.799  3.8373  1002.23    84.542   1002.47    116.396  1001.96    122.997  90.572  5.3197  90.510  5.6284  0.6198883E-01  7.744596 
1 1 1 -15 6   12 o 253.712 5.6594  7843.52    348.399  7158.35    490.841  8539.22    494.601  241.755 8.3676  264.233 7.7144  -22.47778      11.38111 
1 1 1 -15 6   13 o 85.189  5.6574  888.114    116.276  868.145    138.637  935.479    213.518  84.050  6.8577  86.592  10.368  -2.542152      12.43115 
1 1 1 -15 6   14 o 63.745  5.7719  499.186    88.307   556.996    101.989  326.043    176.503  67.285  6.3211  50.409  13.955  16.87642       15.31987 
1 1 1 -15 6   15 o 118.319 5.7358  1705.90    164.669  1854.70    207.698  1454.08    270.195  123.047 6.9854  108.217 10.419  14.83050       12.54385 
1 1 1 -15 6   16 o 53.853  5.8981  357.651    75.810   382.480    95.114   314.404    125.529  55.496  7.2355  49.598  10.742  5.898277       12.95132 
1 1 1 -15 6   17 o 100.578 3.8107  1229.65    92.998   1286.67    131.395  1172.41    131.645  102.656 5.2931  97.946  5.5622  4.710106       7.678200 
1 1 1 -15 6   18 o 42.853  4.6096  225.992    47.176   235.586    67.078   216.602    66.363   43.462  6.5653  41.593  6.8116  1.869473       9.460490 
1 1 1 -15 6   19 o 204.488 4.9427  5089.83    245.242  4983.27    346.545  5196.74    347.104  201.988 7.0708  206.295 6.9344  -4.307449      9.903639 
1 1 1 -15 6   20 o 98.081  4.0893  1169.77    97.319   1001.19    134.762  1353.51    140.689  90.398  6.1810  105.260 5.5278  -14.86209      8.292253 
1 1 1 -15 6   21 o 228.720 5.4501  6373.01    302.466  6024.93    427.394  6722.26    428.109  221.871 7.9390  234.464 7.5251  -12.59238      10.93868 
1 1 1 -15 6   22 o 175.955 6.8440  3781.38    292.196  3394.98    444.796  4074.72    387.550  165.458 11.144  182.263 8.7633  -16.80479      14.17695 
1 1 1 -15 6   23 o 62.337  7.0023  480.714    104.081  428.720    176.874  508.254    128.728  57.637  12.962  63.836  8.5238  -6.198246      15.51324 
1 1 1 -15 6   24 o ?       ?       -249.7558  67.048   -196.0124  117.952  -275.4113  81.495   17.975  8.7136  11.724  5.9242  6.250385       10.53673 
1 1 1 -15 6   25 o 221.149 7.1339  5983.14    382.802  7906.23    579.194  4491.54    510.093  253.436 9.4187  190.186 11.102  63.25011       14.55898 
1 1 1 -15 6   26 o 256.629 5.8414  8038.22    363.734  7880.40    515.149  8195.12    513.651  253.294 8.3819  258.373 8.1933  -5.079132      11.72119 
1 1 1 -15 6   27 o 251.643 5.7861  7732.30    353.293  7579.61    500.480  7883.95    498.789  248.299 8.3071  253.311 8.1152  -5.011993      11.61309 
1 1 1 -15 6   28 o 39.991  5.7080  199.246    53.815   238.400    72.161   150.182    80.777   43.554  7.0707  34.314  9.4167  9.240227       11.77574 
1 1 1 -15 6   29 o 67.106  4.4207  551.320    71.578   520.742    96.790   588.228    106.337  64.917  6.2210  68.991  6.4261  -4.074089      8.944041 
1 1 1 -15 6   30 o 121.331 4.2131  1794.98    124.032  1846.89    175.699  1743.42    175.117  122.777 5.8978  119.102 6.0799  3.675240       8.470449 
1 1 1 -15 6   31 o 59.054  4.5084  428.329    64.113   395.278    86.723   468.164    95.209   56.344  6.4601  61.371  6.4923  -5.026356      9.158712 
1 1 1 -15 6   32 o 136.986 4.3353  2292.60    144.099  2178.17    204.252  2406.01    203.325  133.000 6.3292  139.891 5.9902  -6.890686      8.714439 
1 1 1 -15 6   33 o 59.193  4.6351  431.517    66.041   432.823    88.826   429.902    98.753   58.913  6.3122  58.502  7.1025  0.4104385      9.502090 
1 1 1 -15 6   34 f 124.873 4.2916  1908.46    130.033  1880.77    183.353  1936.49    184.441  123.406 6.1234  125.240 6.0695  -1.834152      8.621722 
1 1 1 -15 6   35 o 106.575 5.6868  1405.46    146.526  1502.77    185.038  1241.84    239.937  109.674 6.9898  98.033  10.238  11.64030       12.39651 
1 1 1 -15 6   36 o 39.920  7.0506  204.311    65.796   198.210    78.063   219.277    122.265  38.909  8.5058  40.374  11.762  -1.464218      14.51567 
1 1 1 -15 6   37 o 87.849  5.6155  958.489    119.074  1043.39    147.670  800.685    201.329  91.225  6.7186  77.761  10.976  13.46404       12.86864 
1 1 1 -15 6   38 o 30.360  7.9583  120.733    59.339   195.031    89.238   61.841     79.449   38.216  9.6281  25.046  9.4984  13.17019       13.52480 
1 1 1 -15 6   39 o 80.029  4.7752  791.941    92.303   661.466    127.837  934.050    133.415  72.146  7.4078  86.304  6.4169  -14.15825      9.800625 
1 1 1 -15 6   40 o 71.546  4.9716  635.029    85.771   530.409    118.455  750.332    124.356  64.336  7.7436  77.130  6.7117  -12.79354      10.24751 
1 1 1 -15 6   41 o 103.994 6.6267  1361.31    166.343  1207.59    292.840  1434.55    202.117  93.026  13.357  105.958 7.9187  -12.93157      15.52775 
1 1 1 -15 6   42 o 51.382  9.0950  350.275    109.241  205.467    213.551  401.599    127.135  40.271  15.500  54.672  9.9504  -14.40092      18.41883 
1 1 1 -15 6   43 o 19.556  8.6058  -11.6236   79.129   166.847    169.760  -61.1636   89.439   36.583  13.882  18.381  8.5027  18.20148       16.27875 
1 1 1 -15 6   44 o 21.329  8.0693  45.701     57.252   93.020     77.485   -11.1952   84.966   27.367  9.5219  20.213  8.9053  7.154224       13.03728 
1 1 1 -15 6   45 o 73.217  4.8407  669.500    85.512   539.553    119.286  806.880    122.650  64.226  7.8156  79.584  6.4058  -15.35815      10.10536 
1 1 1 -15 6   46 o 86.126  4.6116  924.796    96.022   813.692    134.576  1040.02    137.048  79.347  7.0638  90.324  6.2925  -10.97681      9.460063 
1 1 1 -15 6   47 f 48.676  5.9294  304.006    68.583   352.854    94.900   250.603    99.227   51.514  7.8396  42.209  9.8658  9.305836       12.60135 
1 1 1 -15 6   48 o 43.418  6.5706  246.367    67.057   212.897    91.626   284.971    98.403   38.780  9.7484  45.298  9.2653  -6.518738      13.44901 
1 1 1 -15 6   49 o 33.652  7.8502  154.286    62.925   135.402    89.465   172.774    88.521   31.169  10.234  34.811  9.9703  -3.642000      14.28807 
1 1 1 -15 6   50 o 18.098  8.0322  -12.1297   70.367   -10.0470   75.495   -25.9162   194.237  18.854  8.3458  28.003  12.798  -9.148947      15.27856 
1 1 1 -15 6   51 o 45.402  9.4514  288.403    100.734  288.403    100.734  0.0000     0.0000   45.402  9.4514  ?       ?       0.000000       9.451369 
1 1 1 -15 6   52 o 53.903  8.2875  392.335    104.923  392.335    104.923  0.0000     0.0000   53.903  8.2875  ?       ?       0.000000       8.287525 
1 1 1 -15 6   53 o 48.462  6.4461  306.345    73.919   387.518    98.171   200.074    112.328  53.819  7.7404  36.715  11.407  17.10368       13.78533 
1 1 1 -15 6   54 o 20.891  9.3401  -13.1643   96.978   288.250    253.207  -64.9783   104.983  40.760  16.496  19.478  9.0789  21.28112       18.82923 
1 1 1 -15 7   1  o 105.801 5.2424  1363.04    134.581  0.0000     0.0000   1363.04    134.581  ?       ?       105.801 5.2424  0.000000       5.242384 
1 1 1 -15 7   2  o 163.634 6.1719  3264.93    245.050  0.0000     0.0000   3264.93    245.050  ?       ?       163.634 6.1719  0.000000       6.171868 
1 1 1 -15 7   3  o 72.297  5.4125  640.100    94.257   0.0000     0.0000   640.100    94.257   ?       ?       72.297  5.4125  0.000000       5.412462 
1 1 1 -15 7   4  f 223.281 5.2782  6070.59    285.958  6743.37    405.381  5404.25    403.438  234.978 7.1101  210.191 7.9104  24.78688       10.63614 
1 1 1 -15 7   5  f 75.866  3.7763  699.597    69.516   655.883    96.728   746.294    99.972   73.178  5.4876  78.107  5.3065  -4.929375      7.633654 
1 1 1 -15 7   6  o 171.076 5.0370  3562.69    209.086  3363.09    346.619  3676.85    262.151  165.451 8.6643  173.642 6.2220  -8.191208      10.66691 
1 1 1 -15 7   7  o 102.535 3.7501  1277.89    93.300   1300.58    131.489  1254.88    132.408  103.213 5.2679  101.362 5.4031  1.851128       7.546172 
1 1 1 -15 7   8  o 71.732  3.7306  627.111    64.708   631.445    90.983   622.674    92.047   71.820  5.2575  71.304  5.3595  0.5159531      7.507712 
1 1 1 -15 7   9  o 166.569 4.4008  3374.97    177.865  3449.01    251.138  3300.45    251.941  168.175 6.1544  164.491 6.3124  3.683899       8.816057 
1 1 1 -15 7   10 o 178.610 4.5991  3881.54    199.315  3912.80    281.659  3850.18    282.090  179.073 6.4823  177.624 6.5452  1.448761       9.211948 
1 1 1 -15 7   11 o 101.202 3.7665  1244.98    92.491   1274.23    130.524  1215.48    131.081  102.153 5.2840  99.745  5.4366  2.408279       7.581381 
1 1 1 -15 7   12 o 242.107 7.7760  7169.92    456.799  6754.10    618.246  7669.83    677.890  234.065 10.886  249.309 11.206  -15.24487      15.62302 
1 1 1 -15 7   13 o 101.641 5.6559  1262.63    138.935  1159.92    169.316  1474.32    243.082  97.173  7.2329  109.227 9.2590  -12.05456      11.74923 
1 1 1 -15 7   14 o 73.712  5.7536  666.096    102.091  662.827    120.473  674.424    192.289  73.371  6.8462  73.147  11.190  0.2236404      13.11813 
1 1 1 -15 7   15 o 107.500 5.6160  1411.74    145.977  1267.98    179.754  1690.16    250.163  101.606 7.3405  117.089 8.8712  -15.48206      11.51439 
1 1 1 -15 7   16 o 106.841 3.8873  1387.70    100.774  1423.75    140.512  1349.52    144.609  108.122 5.3559  105.087 5.6925  3.034607       7.816055 
1 1 1 -15 7   17 o 219.127 5.1865  5846.57    275.764  5825.79    389.307  5867.49    390.674  218.340 7.3484  219.120 7.3480  -0.7799835     10.39196 
1 1 1 -15 7   18 o 320.708 6.9016  12559.22   537.059  12459.97   759.533  12658.47   759.498  318.383 9.8318  320.943 9.7529  -2.559357      13.84860 
1 1 1 -15 7   19 o 150.649 4.3392  2760.53    158.613  2530.95    224.167  2990.71    224.460  144.027 6.4145  156.630 5.9061  -12.60326      8.719362 
1 1 1 -15 7   20 o 164.257 5.1080  3285.28    203.581  3113.77    253.286  3598.30    342.179  159.726 6.5354  171.406 8.2274  -11.67943      10.50725 
1 1 1 -15 7   21 o 63.219  4.4775  488.691    68.239   535.223    94.148   437.193    99.045   65.989  5.9438  59.418  7.0045  6.570820       9.186520 
1 1 1 -15 7   22 o 218.575 7.6028  5845.91    403.217  5577.51    603.810  6061.93    541.703  211.927 11.789  221.867 10.062  -9.940155      15.49933 
1 1 1 -15 7   23 o 122.128 6.0229  1819.69    178.477  1954.98    285.685  1733.09    228.572  125.738 9.4326  118.675 7.9842  7.062759       12.35806 
1 1 1 -15 7   24 o 263.422 8.5764  8519.86    548.180  8426.52    811.611  8598.17    743.365  260.050 12.863  263.317 11.635  -3.266937      17.34395 
1 1 1 -15 7   25 o 206.755 5.1986  5210.71    260.801  5229.50    369.135  5191.98    368.523  206.639 7.3622  205.893 7.3767  0.7462616      10.42197 
1 1 1 -15 7   26 o 236.242 5.6135  6811.57    321.778  6559.23    455.267  7063.46    454.860  231.073 8.1199  239.900 7.8142  -8.827179      11.26918 
1 1 1 -15 7   27 o 202.841 5.0974  5019.02    250.882  4845.15    355.069  5192.37    354.534  198.708 7.3643  205.787 7.1003  -7.078690      10.22972 
1 1 1 -15 7   28 f 187.647 4.8498  4295.92    220.813  4177.21    312.528  4414.26    312.028  184.483 6.9818  189.708 6.7787  -5.225143      9.731186 
1 1 1 -15 7   29 o 31.291  6.7342  124.780    49.614   145.607    65.107   95.935     76.620   33.683  8.0717  28.468  9.4772  5.215021       12.44869 
1 1 1 -15 7   30 o 51.945  4.8873  332.673    60.875   391.480    81.863   259.927    91.050   56.156  6.1064  45.048  8.6443  11.10846       10.58359 
1 1 1 -15 7   31 o 81.210  4.2320  807.446    83.102   806.124    114.291  808.929    121.048  80.806  5.8692  80.863  6.2170  -0.5652618E-01 8.549788 
1 1 1 -15 7   32 o 92.208  4.0973  1038.65    91.672   1107.48    128.625  967.599    130.686  94.768  5.6188  88.421  6.1291  6.346840       8.314835 
1 1 1 -15 7   33 o 84.451  4.2141  872.426    86.352   873.199    119.739  871.588    124.648  83.957  5.9156  83.803  6.1735  0.1546860      8.550263 
1 1 1 -15 7   34 o 64.514  4.4343  512.429    68.992   467.175    95.119   562.668    100.221  61.060  6.5210  67.160  6.2208  -6.100227      9.012282 
1 1 1 -15 7   35 o 70.073  5.7085  610.594    96.216   690.955    117.766  449.268    166.860  74.275  6.6034  57.489  12.332  16.78638       13.98845 
1 1 1 -15 7   36 o 116.318 5.7479  1675.07    162.227  1675.05    205.339  1675.12    264.623  115.363 7.3743  113.915 9.6650  1.447769       12.15696 
1 1 1 -15 7   37 o 72.841  4.3425  653.932    76.401   621.902    106.631  687.722    109.522  70.419  6.3075  74.138  6.1437  -3.718430      8.805076 
1 1 1 -15 7   38 o 82.897  4.6962  848.967    94.073   821.864    131.958  876.978    134.148  80.771  6.7962  83.505  6.6766  -2.733673      9.527109 
1 1 1 -15 7   39 o 37.958  7.5488  187.677    67.078   194.055    92.319   180.544    97.630   37.978  9.9126  36.617  10.465  1.360397       14.41450 
1 1 1 -15 7   40 o 51.339  6.3769  334.160    77.726   454.862    100.599  155.380    122.432  59.737  7.0781  34.730  11.976  25.00654       13.91100 
1 1 1 -15 7   41 o 49.307  8.7072  320.634    100.362  421.857    197.949  285.610    116.438  53.397  14.777  45.635  10.701  7.762264       18.24491 
1 1 1 -15 7   42 o 22.087  9.3888  13.371     87.884   203.499    185.083  -41.9768   99.860   39.205  14.575  20.483  9.2890  18.72191       17.28321 
1 1 1 -15 7   43 o 29.348  8.1058  114.716    59.629   178.096    83.048   47.271     85.670   36.139  9.3867  24.085  9.6485  12.05379       13.46119 
1 1 1 -15 7   44 o 70.697  5.0410  625.515    85.906   629.977    120.790  620.948    122.201  69.845  7.2322  69.250  7.3866  0.5950546      10.33763 
1 1 1 -15 7   45 o 23.620  8.4416  66.055     61.212   -29.2330   85.484   166.330    87.692   19.197  8.6602  34.567  9.9303  -15.37023      13.17610 
1 1 1 -15 7   46 o 43.240  6.8364  244.731    69.341   339.480    96.627   144.131    99.565   50.352  8.1904  32.311  10.805  18.04170       13.55808 
1 1 1 -15 7   47 o 24.031  8.4248  71.622     60.712   38.448     85.250   105.764    86.484   23.023  9.4748  28.468  10.049  -5.444704      13.81131 
1 1 1 -15 7   48 o 40.918  6.8740  221.115    65.828   202.461    89.734   242.852    96.865   37.746  9.7344  41.363  9.8016  -3.616043      13.81406 
1 1 1 -15 7   49 o 41.916  6.8183  231.720    66.962   259.470    89.660   196.719    100.693  43.326  8.8284  36.773  10.663  6.552418       13.84366 
1 1 1 -15 7   50 f 48.944  9.1628  331.960    104.816  331.960    104.816  0.0000     0.0000   48.944  9.1628  ?       ?       0.000000       9.162776 
1 1 1 -15 7   51 o 60.167  8.2579  487.063    117.378  487.063    117.378  0.0000     0.0000   60.167  8.2579  ?       ?       0.000000       8.257943 
1 1 1 -15 7   52 o 15.633  7.0135  -17.7080   55.189   33.632     69.211   -107.3552  91.456   21.090  8.5916  16.556  7.9355  4.534445       11.69562 
1 1 1 -15 7   53 o 29.920  10.504  123.197    94.402   -220.2216  264.247  173.438    101.072  27.059  13.098  34.392  10.842  -7.332926      17.00363 
1 1 1 -15 7   54 o 24.104  10.108  43.350     99.647   -123.9081  258.930  72.427     107.961  28.222  13.480  26.454  10.748  1.767845       17.24050 
1 1 1 -15 8   1  o 103.109 5.3373  1298.27    133.074  0.0000     0.0000   1298.27    133.074  ?       ?       103.109 5.3373  0.000000       5.337298 
1 1 1 -15 8   2  o 374.309 11.053  17280.23   1003.86  0.0000     0.0000   17280.23   1003.86  ?       ?       374.309 11.053  0.000000       11.05302 
1 1 1 -15 8   3  o 438.966 9.0601  23637.90   964.998  25336.76   1363.30  21931.97   1366.13  452.279 12.423  420.088 13.403  32.19098       18.27445 
1 1 1 -15 8   4  o 435.328 8.9470  23241.39   945.055  24020.75   1334.86  22458.16   1338.17  440.323 12.494  425.422 12.964  14.90082       18.00428 
1 1 1 -15 8   5  o 379.727 7.8569  17640.58   723.910  17459.53   1021.91  17822.95   1025.63  376.161 11.196  380.099 11.121  -3.937714      15.78052 
1 1 1 -15 8   6  o 92.599  3.7378  1042.26    83.982   1100.42    116.921  980.285    120.708  94.935  5.0944  89.527  5.5846  5.407616       7.559100 
1 1 1 -15 8   7  o 24.753  5.9881  77.691     35.574   148.885    49.961   4.4721     50.666   34.420  6.2105  17.117  7.1944  17.30377       9.504213 
1 1 1 -15 8   8  o 104.597 3.8169  1329.98    96.871   1322.79    136.260  1337.32    137.744  104.069 5.4148  104.637 5.4441  -0.5676117     7.678460 
1 1 1 -15 8   9  o 105.976 3.8416  1365.33    98.784   1302.92    139.418  1428.26    139.988  103.259 5.5853  108.289 5.3278  -5.029350      7.718807 
1 1 1 -15 8   10 o 113.904 3.8561  1577.26    106.573  1570.96    151.100  1583.50    150.338  113.557 5.4838  114.014 5.4344  -0.4564667     7.720404 
1 1 1 -15 8   11 o 162.106 6.0441  3204.07    237.735  2818.50    314.533  3717.86    363.086  151.418 8.5965  174.178 8.5912  -22.75998      12.15350 
1 1 1 -15 8   12 o 137.865 5.9222  2316.95    198.108  2618.12    260.216  1901.71    305.544  146.182 7.3598  123.909 10.255  22.27328       12.62255 
1 1 1 -15 8   13 o 63.046  5.9836  488.864    90.437   520.918    104.963  396.501    178.173  64.981  6.7559  55.418  13.398  9.563660       15.00503 
1 1 1 -15 8   14 o 173.249 6.4772  3662.17    272.284  3567.62    356.972  3793.69    421.048  170.405 8.6620  175.394 9.9344  -4.988251      13.18039 
1 1 1 -15 8   15 o 209.380 5.0295  5336.93    255.519  5096.91    359.241  5582.69    363.513  204.241 7.2490  213.802 7.0072  -9.561310      10.08210 
1 1 1 -15 8   16 o 196.186 4.8646  4684.54    231.568  4635.69    325.372  4734.70    329.644  194.847 6.8821  196.913 6.8993  -2.066666      9.744949 
1 1 1 -15 8   17 o 218.418 5.1801  5809.08    274.532  5918.40    386.332  5697.57    390.191  220.079 7.2347  215.888 7.4488  4.191238       10.38385 
1 1 1 -15 8   18 o 193.796 4.8974  4571.64    230.290  4406.78    325.359  4737.15    326.000  189.930 7.0600  196.965 6.8212  -7.035934      9.816998 
1 1 1 -15 8   19 f 198.739 4.8928  4808.07    235.940  4925.48    335.460  4693.14    331.908  200.819 6.8845  196.007 6.9788  4.811615       9.803061 
1 1 1 -15 8   20 o 133.034 4.2824  2152.85    138.234  2098.43    195.360  2207.42    195.623  131.159 6.1387  134.539 5.9925  -3.380203      8.578668 
1 1 1 -15 8   21 o 274.179 8.8185  9226.06    586.667  8988.04    863.792  9429.88    799.301  268.688 13.249  275.875 11.941  -7.187195      17.83621 
1 1 1 -15 8   22 o 69.730  6.5777  599.016    109.976  637.407    185.485  578.203    136.570  71.001  11.133  68.158  8.4383  2.842361       13.96937 
1 1 1 -15 8   23 o 37.257  9.6624  177.304    88.085   94.758     154.046  217.406    107.371  33.896  13.131  41.187  10.661  -7.291573      16.91409 
1 1 1 -15 8   24 o 150.770 4.4254  2767.22    161.893  2621.44    228.123  2915.14    229.790  146.470 6.4188  154.506 6.1294  -8.036087      8.875319 
1 1 1 -15 8   25 o 287.787 6.5092  10128.27   454.533  10124.79   643.092  10131.75   642.521  286.582 9.2483  286.686 9.2367  -0.1041565     13.07084 
1 1 1 -15 8   26 o 123.215 4.2258  1848.72    126.338  1783.27    177.318  1916.21    180.050  120.627 6.0777  125.220 5.9259  -4.593468      8.488539 
1 1 1 -15 8   27 o 91.751  4.1788  1025.48    93.031   857.689    128.202  1212.12    135.208  83.447  6.3800  99.432  5.6273  -15.98445      8.507092 
1 1 1 -15 8   28 o 175.020 4.7582  3738.88    202.067  3650.20    285.353  3828.07    286.181  172.382 6.8222  176.578 6.6795  -4.195221      9.547667 
1 1 1 -15 8   29 o 35.255  6.3679  157.203    52.468   196.534    71.653   111.736    77.040   39.223  7.8035  30.059  9.4646  9.163189       12.26678 
1 1 1 -15 8   30 o 101.344 4.1245  1253.53    101.422  1193.19    141.531  1317.22    145.411  98.384  5.9569  103.424 5.8181  -5.040459      8.326734 
1 1 1 -15 8   31 o 112.780 4.1766  1553.97    114.293  1471.38    159.771  1640.52    163.564  109.163 6.0557  115.346 5.8634  -6.182777      8.429195 
1 1 1 -15 8   32 o 93.288  4.1562  1064.11    94.077   961.674    132.514  1168.19    133.581  88.044  6.2434  97.255  5.6854  -9.210579      8.444191 
1 1 1 -15 8   33 o 45.785  5.1778  260.930    56.511   250.259    76.246   273.937    84.178   44.270  7.3562  46.237  7.7794  -1.966740      10.70667 
1 1 1 -15 8   34 o 131.236 5.9792  2131.49    190.397  2184.89    244.484  2049.18    303.516  131.830 7.6764  126.137 9.9988  5.692863       12.60562 
1 1 1 -15 8   35 o 128.681 5.8987  2051.70    184.175  2022.78    235.071  2097.67    296.384  126.647 7.6860  127.609 9.6433  -0.9622726     12.33159 
1 1 1 -15 8   36 o 39.405  7.3228  200.611    67.438   144.044    78.261   363.765    132.911  33.037  9.3446  51.960  10.890  -18.92263      14.35001 
1 1 1 -15 8   37 o 30.208  8.5055  119.608    64.990   95.880     89.253   146.386    94.817   28.627  10.197  33.419  10.496  -4.792559      14.63411 
1 1 1 -15 8   38 o 67.793  5.0280  570.583    82.117   477.969    114.393  669.050    117.952  60.976  7.9186  72.802  6.7542  -11.82557      10.40788 
1 1 1 -15 8   39 o 25.881  8.4775  83.569     61.399   89.716     82.451   75.916     91.992   27.608  9.8046  27.045  10.229  0.5627174      14.16937 
1 1 1 -15 8   40 o 25.310  9.8445  59.573     86.851   208.035    168.733  6.0622     101.301  39.428  14.023  23.139  9.9630  16.28969       17.20230 
1 1 1 -15 8   41 o 71.591  7.1608  654.914    122.721  625.952    232.224  666.136    144.555  64.781  15.060  71.491  8.4999  -6.709885      17.29280 
1 1 1 -15 8   42 o 38.043  7.7060  191.182    68.693   62.155     89.673   374.430    106.867  25.550  9.9851  53.204  8.5693  -27.65318      13.15809 
1 1 1 -15 8   43 o 61.902  5.4071  482.242    80.400   436.369    108.646  537.774    119.538  57.669  7.9782  64.185  7.8384  -6.516220      11.18445 
1 1 1 -15 8   44 o 45.225  6.3408  263.646    67.668   281.564    93.314   243.773    98.272   45.647  8.7434  41.873  9.8391  3.774212       13.16264 
1 1 1 -15 8   45 o 35.511  7.4427  168.477    62.078   99.386     86.543   241.704    89.096   28.056  10.036  41.945  9.0220  -13.88929      13.49527 
1 1 1 -15 8   46 o 21.025  8.0022  45.504     56.520   39.362     78.180   52.229     81.805   22.475  9.1408  23.756  9.4579  -1.280676      13.15318 
1 1 1 -15 8   47 o 14.728  6.7031  -26.0018   52.595   -61.9526   73.618   11.478     75.167   16.006  7.5064  20.156  8.6281  -4.150303      11.43638 
1 1 1 -15 8   48 o 12.109  5.8296  -70.4878   50.632   15.583     70.328   -163.1037  72.953   19.874  8.4212  12.567  6.2384  7.307255       10.48020 
1 1 1 -15 8   49 f 36.735  10.294  194.900    95.430   194.900    95.430   0.0000     0.0000   36.735  10.294  ?       ?       0.000000       10.29388 
1 1 1 -15 8   50 f 31.847  10.271  142.835    90.307   142.835    90.307   0.0000     0.0000   31.847  10.271  ?       ?       0.000000       10.27090 
1 1 1 -15 8   51 o 20.340  8.2061  32.677     62.449   39.403     80.181   22.305     99.565   22.550  9.2238  23.156  9.9217  -0.6055889     13.54693 
1 1 1 -15 8   52 o 27.306  8.7166  101.454    65.170   66.330     84.506   152.998    102.370  24.836  9.6967  32.628  10.955  -7.792418      14.63040 
1 1 1 -15 8   53 o 70.183  9.1187  684.961    151.615  87.876     332.814  841.324    170.314  35.422  16.391  77.754  9.2062  -42.33215      18.79966 
1 1 1 -15 9   1  o 364.600 10.788  16388.40   954.337  0.0000     0.0000   16388.40   954.337  ?       ?       364.600 10.788  0.000000       10.78750 
1 1 1 -15 9   2  o 31.541  7.1560  126.355    53.508   0.0000     0.0000   126.355    53.508   ?       ?       31.541  7.1560  0.000000       7.155957 
1 1 1 -15 9   3  o 29.436  6.9603  110.062    48.931   219.132    76.514   34.592     63.647   41.653  7.8587  21.567  8.4167  20.08587       11.51522 
1 1 1 -15 9   4  o 12.700  5.4550  -2.3988    30.228   12.696     41.981   -18.6499   43.560   16.466  6.6976  14.028  6.2665  2.437571       9.172105 
1 1 1 -15 9   5  o 360.936 7.4606  15927.46   653.380  15337.80   922.015  16522.28   926.037  352.723 10.773  366.277 10.420  -13.55441      14.98764 
1 1 1 -15 9   6  o 255.344 5.7166  7946.27    354.184  7656.16    498.996  8240.84    502.810  250.033 8.2250  259.474 7.9863  -9.441055      11.46436 
1 1 1 -15 9   7  o 49.453  4.2521  299.632    50.526   347.075    70.481   249.473    72.470   53.086  5.5540  44.685  6.9067  8.401299       8.862795 
1 1 1 -15 9   8  o 212.750 5.0455  5510.78    260.459  5527.65    367.063  5493.67    369.640  212.704 7.1122  212.034 7.1847  0.6699829      10.10955 
1 1 1 -15 9   9  o 38.147  4.8728  179.978    44.071   181.031    61.676   178.880    62.998   37.915  6.9606  37.652  7.1572  0.2633705      9.983772 
1 1 1 -15 9   10 o 44.516  6.4967  246.820    68.106   291.381    83.514   158.338    117.681  48.288  7.3605  36.276  11.727  12.01290       13.84585 
1 1 1 -15 9   11 o 67.175  5.5459  553.469    89.587   447.758    110.561  755.569    152.872  60.014  7.7753  78.143  8.1840  -18.12863      11.28858 
1 1 1 -15 9   12 o 72.095  5.5450  636.942    96.256   669.266    119.461  577.111    162.528  73.740  6.7516  67.768  10.200  5.972290       12.23235 
1 1 1 -15 9   13 o 130.270 5.7400  2068.14    181.434  2174.36    236.064  1914.83    283.601  133.187 7.3329  124.525 9.4568  8.662544       11.96674 
1 1 1 -15 9   14 o 141.059 4.1853  2419.79    143.248  2463.79    202.187  2375.44    202.983  142.172 5.8610  139.585 5.9932  2.587280       8.382713 
1 1 1 -15 9   15 o 110.767 3.9312  1491.68    105.657  1446.22    145.869  1541.84    153.247  108.812 5.5432  112.490 5.6146  -3.677155      7.889910 
1 1 1 -15 9   16 o 115.561 4.0521  1623.85    113.619  1608.36    157.854  1640.49    163.667  114.884 5.6628  115.865 5.8404  -0.9808197     8.134983 
1 1 1 -15 9   17 o 181.160 4.8241  3994.64    212.054  3820.96    298.516  4171.55    301.283  176.867 6.9559  184.845 6.7174  -7.978226      9.669996 
1 1 1 -15 9   18 o 95.535  4.2151  1110.10    97.709   1069.85    133.546  1156.47    143.336  93.488  5.9177  97.186  6.1095  -3.697731      8.505611 
1 1 1 -15 9   19 f 246.292 5.6109  7393.15    335.311  7168.35    473.030  7620.20    475.382  241.931 8.0581  249.498 7.8526  -7.567444      11.25149 
1 1 1 -15 9   20 o 119.413 6.2238  1744.67    179.706  1635.59    292.725  1810.65    227.654  114.671 10.642  121.374 7.7709  -6.703072      13.17719 
1 1 1 -15 9   21 o 46.827  9.1741  278.562    100.509  147.959    186.021  332.410    119.446  39.014  14.590  51.100  9.9916  -12.08589      17.68360 
1 1 1 -15 9   22 o 84.187  6.6673  871.419    135.081  610.162    235.423  999.646    164.932  68.518  14.607  90.032  7.6214  -21.51405      16.47563 
1 1 1 -15 9   23 o 264.908 5.9953  8567.12    385.365  8359.86    545.652  8773.37    544.327  260.818 8.6221  267.280 8.3932  -6.462280      12.03277 
1 1 1 -15 9   24 o 114.471 4.1604  1594.90    115.557  1663.25    163.970  1527.46    162.879  116.720 5.7897  111.665 6.0339  5.055397       8.362314 
1 1 1 -15 9   25 o 94.473  4.1457  1086.65    95.033   1130.44    134.051  1042.41    134.747  96.028  5.7801  92.151  6.0602  3.876816       8.374670 
1 1 1 -15 9   26 o ?       ?       -190.4021  36.348   -225.5708  46.183   -133.1555  58.922   ?       ?       11.564  5.7168  0.000000       5.716774 
1 1 1 -15 9   27 o 185.179 4.9182  4186.82    220.985  4163.38    312.739  4210.20    312.301  184.060 7.0026  185.109 6.9532  -1.048691      9.868259 
1 1 1 -15 9   28 o 140.917 4.4053  2423.27    150.628  2319.47    212.264  2528.57    213.786  137.430 6.3655  143.553 6.1377  -6.122101      8.842509 
1 1 1 -15 9   29 o 59.343  4.5515  432.781    65.039   383.137    89.943   487.188    94.158   55.350  6.8428  62.643  6.2793  -7.292259      9.287259 
1 1 1 -15 9   30 o 91.151  4.1801  1014.94    92.450   994.420    128.987  1036.62    132.576  89.719  5.9590  91.600  5.9980  -1.881256      8.454928 
1 1 1 -15 9   31 o 77.595  4.2465  738.496    79.648   697.930    109.548  783.986    116.007  74.998  6.0720  79.518  6.0581  -4.520065      8.577301 
1 1 1 -15 9   32 o 92.419  4.2113  1045.43    94.436   918.898    131.270  1181.16    135.958  85.949  6.3393  97.700  5.7607  -11.75101      8.565716 
1 1 1 -15 9   33 o 104.105 5.7127  1342.44    143.751  1432.19    180.607  1187.31    237.456  106.998 6.9951  95.639  10.400  11.35892       12.53371 
1 1 1 -15 9   34 o 28.372  8.1761  104.105    59.364   110.494    68.021   83.689     121.596  29.292  8.8348  29.900  11.643  -0.6078720     14.61572 
1 1 1 -15 9   35 o 25.943  8.1195  85.022     56.795   78.958     66.099   102.128    111.020  25.716  8.8024  30.431  11.293  -4.714947      14.31826 
1 1 1 -15 9   36 o 70.475  4.7214  614.404    80.271   646.142    117.602  586.721    109.835  71.536  6.8594  68.192  6.7257  3.344498       9.606560 
1 1 1 -15 9   37 o 26.525  8.4685  88.869     61.511   138.495    82.076   25.283     92.906   32.404  9.6893  23.541  9.8074  8.863087       13.78647 
1 1 1 -15 9   38 o 46.782  6.3884  278.154    70.621   287.128    99.148   268.911    100.616  46.544  9.1054  44.842  9.5405  1.701767       13.18825 
1 1 1 -15 9   39 o 50.111  8.9442  331.841    104.762  261.714    196.236  359.794    123.894  43.199  15.146  51.615  10.254  -8.415401      18.29089 
1 1 1 -15 9   40 o 64.107  7.6526  529.663    116.684  663.476    216.539  474.909    138.514  67.994  13.600  59.499  9.9455  8.495346       16.84865 
1 1 1 -15 9   41 o 30.072  10.375  115.004    91.903   236.545    180.444  72.432     106.792  40.894  14.507  27.555  10.858  13.33891       18.12000 
1 1 1 -15 9   42 o 70.170  5.0536  615.792    85.467   632.071    117.830  597.718    124.155  70.146  7.0171  67.831  7.6788  2.315239       10.40208 
1 1 1 -15 9   43 o 55.254  5.7959  387.870    76.547   439.674    103.273  324.707    114.034  58.022  7.5119  48.412  10.037  9.609985       12.53686 
1 1 1 -15 9   44 o 20.607  8.2183  34.691     61.863   67.890     85.122   -2.4747    90.063   25.351  9.7778  21.080  9.2310  4.270370       13.44677 
1 1 1 -15 9   45 o 16.837  7.3478  -3.9124    56.639   30.292     76.004   -46.6292   84.937   21.616  8.9265  18.192  8.3689  3.423437       12.23603 
1 1 1 -15 9   46 o 14.971  6.8328  -28.7013   55.134   0.9475     74.663   -64.2581   81.764   19.425  8.4581  16.979  7.9463  2.446201       11.60527 
1 1 1 -15 9   47 o 15.000  6.8388  -27.6893   55.046   -84.7250   74.762   39.835     81.347   15.222  7.2630  22.684  9.2860  -7.462761      11.78905 
1 1 1 -15 9   48 o 39.158  9.5841  217.717    90.324   220.423    104.638  209.807    178.912  38.788  10.747  37.302  14.228  1.486603       17.83072 
1 1 1 -15 9   49 o 29.255  10.538  113.098    95.578   113.098    95.578   0.0000     0.0000   29.255  10.538  ?       ?       0.000000       10.53849 
1 1 1 -15 9   50 o 58.759  5.7124  441.918    80.414   363.468    107.998  539.528    120.467  51.328  8.9996  63.484  7.9981  -12.15601      12.04004 
1 1 1 -15 9   51 o 18.475  7.7850  14.203     59.569   -5.2040    74.183   49.431     99.949   18.920  8.3289  24.744  10.229  -5.824425      13.19091 
1 1 1 -15 9   52 f 69.209  9.2537  667.090    151.507  1083.71    357.315  575.769    167.290  72.756  19.739  62.143  11.519  10.61315       22.85401 
1 1 1 -15 10  1  o 246.909 7.9373  7461.92    475.527  0.0000     0.0000   7461.92    475.527  ?       ?       246.909 7.9373  0.000000       7.937316 
1 1 1 -15 10  2  o 37.123  5.2302  171.113    45.806   177.463    77.761   167.739    56.684   37.309  8.7427  36.512  6.6428  0.7961349      10.98005 
1 1 1 -15 10  3  o 39.326  4.4890  190.591    42.067   168.080    58.614   214.503    60.411   36.514  6.8678  41.489  6.1905  -4.974850      9.246035 
1 1 1 -15 10  4  o 242.105 6.2727  7150.68    368.486  7229.57    621.210  7107.85    457.704  242.209 10.570  241.008 7.8269  1.200684       13.15256 
1 1 1 -15 10  5  o 27.626  5.7104  96.437     37.013   52.307     53.662   136.487    51.121   22.266  7.9095  32.857  6.6407  -10.59093      10.32759 
1 1 1 -15 10  6  o 81.821  3.7099  813.766    73.652   839.608    102.572  786.261    105.823  82.880  5.1257  80.150  5.4741  2.729431       7.499250 
1 1 1 -15 10  7  f 176.166 4.5797  3776.19    195.759  3739.17    274.801  3814.33    278.936  175.045 6.4700  176.790 6.5025  -1.745316      9.172991 
1 1 1 -15 10  8  o 120.668 3.9707  1770.40    116.258  1812.70    162.432  1725.96    166.470  121.979 5.4881  118.999 5.7654  2.979958       7.959856 
1 1 1 -15 10  9  o 106.338 7.0780  1387.40    181.584  1387.40    181.584  0.0000     0.0000   106.338 7.0780  ?       ?       0.000000       7.078032 
1 1 1 -15 10  10 o 89.763  5.5384  985.379    120.037  785.558    147.728  1373.70    205.938  79.773  7.7290  105.628 8.0968  -25.85452      11.19355 
1 1 1 -15 10  11 o 69.034  5.5574  584.349    92.300   597.754    115.464  560.621    153.623  69.625  6.9266  66.866  9.7559  2.759247       11.96480 
1 1 1 -15 10  12 o 194.126 6.8808  4601.92    324.103  4650.65    434.570  4540.85    486.518  194.652 9.2011  191.732 10.498  2.919235       13.95924 
1 1 1 -15 10  13 o 277.337 6.1484  9380.38    413.749  9733.83    584.939  9026.47    585.321  281.827 8.5539  271.284 8.8921  10.54312       12.33853 
1 1 1 -15 10  14 o 108.674 3.8840  1435.82    102.417  1520.72    145.169  1351.69    144.513  111.736 5.3545  105.165 5.6844  6.570892       7.809179 
1 1 1 -15 10  15 o 215.856 5.2471  5674.68    274.822  5849.79    388.896  5500.00    388.418  218.762 7.3265  212.071 7.5484  6.690063       10.51932 
1 1 1 -15 10  16 o 203.488 5.0092  5041.51    247.327  4533.25    347.103  5565.72    352.506  192.548 7.4294  213.485 6.8051  -20.93697      10.07503 
1 1 1 -15 10  17 o 168.092 4.6133  3438.48    188.161  3094.21    263.603  3796.10    268.668  159.165 6.8255  176.387 6.2775  -17.22195      9.273333 
1 1 1 -15 10  18 o 134.578 4.2435  2203.13    138.567  2161.51    193.768  2246.69    198.234  133.125 5.9987  135.720 6.0196  -2.595291      8.498277 
1 1 1 -15 10  19 o 67.048  6.9796  555.233    111.884  550.013    213.044  557.221    131.473  65.216  13.889  66.933  8.2713  -1.716286      16.16525 
1 1 1 -15 10  20 o 29.337  10.264  94.610     90.083   208.375    172.322  51.829     105.672  42.060  14.214  27.285  10.785  14.77472       17.84222 
1 1 1 -15 10  21 o 147.061 6.4250  2641.67    229.262  2537.29    366.047  2709.04    294.088  142.916 10.632  148.390 8.1997  -5.474365      13.42655 
1 1 1 -15 10  22 o 150.175 4.4725  2745.68    162.972  2809.06    231.939  2683.87    229.043  151.637 6.3038  148.209 6.3691  3.428116       8.961201 
1 1 1 -15 10  23 o 134.249 4.3491  2194.32    141.669  2210.03    201.548  2178.99    199.173  134.486 6.1765  133.542 6.1468  0.9433289      8.713861 
1 1 1 -15 10  24 o 63.750  4.6078  497.761    70.795   501.549    99.281   493.842    100.979  63.695  6.5156  63.167  6.6903  0.5287628      9.338734 
1 1 1 -15 10  25 o 43.950  5.3887  239.364    56.261   177.913    77.052   309.545    82.343   37.245  8.6857  49.760  7.0147  -12.51414      11.16453 
1 1 1 -15 10  26 o 168.058 4.6839  3446.15    190.997  3445.13    271.364  3447.15    268.873  167.541 6.6753  167.608 6.6113  -0.6755066E-01 9.395125 
1 1 1 -15 10  27 f 24.930  7.6022  77.063     50.163   41.274     67.689   120.665    74.713   22.497  8.7075  30.936  9.2432  -8.438709      12.69869 
1 1 1 -15 10  28 o 26.761  7.3886  91.226     49.554   88.970     64.254   94.537     77.847   27.003  8.6589  28.318  9.5533  -1.314924      12.89353 
1 1 1 -15 10  29 o 70.419  4.3710  608.355    74.315   558.005    103.375  662.206    106.909  66.987  6.4394  73.114  6.0814  -6.127464      8.857196 
1 1 1 -15 10  30 o 99.932  4.1452  1220.75    100.511  1095.80    141.940  1346.41    142.348  94.033  6.2568  104.471 5.6364  -10.43891      8.421144 
1 1 1 -15 10  31 o 63.636  4.4944  498.598    68.950   474.314    95.533   525.003    99.616   61.568  6.4928  64.828  6.4172  -3.260296      9.128902 
1 1 1 -15 10  32 o 60.475  5.9139  456.253    85.668   472.582    103.353  420.404    153.141  61.199  7.0915  55.937  11.661  5.261833       13.64795 
1 1 1 -15 10  33 o 65.213  5.8293  530.390    91.267   568.818    110.489  447.850    161.929  67.206  6.8723  57.440  12.005  9.765652       13.83290 
1 1 1 -15 10  34 o 32.278  7.9019  136.502    61.390   143.490    71.637   117.182    119.113  32.989  8.7907  31.982  11.727  1.006866       14.65635 
1 1 1 -15 10  35 o 26.943  7.4037  94.305     49.894   94.863     65.773   93.548     76.574   27.392  8.7582  27.734  9.4743  -0.3425102     12.90232 
1 1 1 -15 10  36 o 61.739  5.3121  475.018    78.802   498.742    106.019  445.730    117.796  62.640  7.1008  58.591  8.5366  4.048725       11.10385 
1 1 1 -15 10  37 o 72.249  4.9450  647.674    86.167   529.278    118.418  780.901    125.617  64.223  7.7561  78.692  6.6410  -14.46829      10.21078 
1 1 1 -15 10  38 o 114.393 4.9944  1618.82    138.625  1696.49    178.476  1500.72    220.090  116.258 6.3510  107.927 8.4725  8.331055       10.58857 
1 1 1 -15 10  39 o 47.058  9.3733  296.811    103.268  525.035    198.883  212.568    120.833  60.114  13.911  39.134  11.769  20.97985       18.22131 
1 1 1 -15 10  40 o 51.670  9.0150  355.798    108.912  494.224    215.148  308.102    126.289  56.935  15.262  46.926  11.240  10.00815       18.95439 
1 1 1 -15 10  41 o 45.543  6.7188  267.815    72.017   245.076    98.662   293.749    105.364  42.213  9.8179  46.379  9.6759  -4.165100      13.78454 
1 1 1 -15 10  42 f 23.349  8.6295  60.560     64.697   116.395    90.212   1.4300     92.836   29.885  10.281  21.692  9.4382  8.193481       13.95643 
1 1 1 -15 10  43 o 19.757  7.9509  29.079     58.466   87.094     81.817   -31.4594   83.577   26.790  9.7353  18.825  8.5213  7.964956       12.93789 
1 1 1 -15 10  44 o 58.493  5.8354  436.923    81.715   421.328    113.712  453.578    117.506  55.823  8.6769  57.995  8.6120  -2.171829      12.22515 
1 1 1 -15 10  45 o 51.791  6.0990  345.975    75.175   339.521    104.668  352.852    108.039  49.650  9.0204  50.557  9.1437  -0.9066315     12.84425 
1 1 1 -15 10  46 o 36.633  7.5884  181.484    65.233   160.510    92.049   202.645    92.460   33.471  10.314  37.575  9.9747  -4.104488      14.34841 
1 1 1 -15 10  47 o 37.531  8.2004  193.436    72.590   251.927    97.069   119.225    109.338  42.091  9.7033  30.123  11.202  11.96716       14.81986 
1 1 1 -15 10  48 o 40.071  10.280  232.438    100.439  232.438    100.439  0.0000     0.0000   40.071  10.280  ?       ?       0.000000       10.27987 
1 1 1 -15 10  49 o 24.150  9.2431  64.281     75.671   116.267    84.705   -141.1789  168.396  29.231  9.9648  22.908  10.922  6.323212       14.78476 
1 1 1 -15 10  50 o 46.030  6.9188  279.927    74.883   301.833    101.443  253.699    111.003  46.379  9.3375  41.454  10.893  4.924362       14.34772 
1 1 1 -15 10  51 o 28.271  10.632  102.159    99.055   -16.3770   284.871  118.462    105.647  31.930  14.907  29.745  11.021  2.185259       18.53832 
1 1 1 -15 10  52 o 33.709  11.815  171.648    119.411  281.481    319.267  153.784    128.757  39.685  17.379  32.475  12.140  7.210552       21.19910 
1 1 1 -15 11  1  o 65.576  4.1365  525.038    65.481   625.476    99.838   449.217    86.745   71.398  5.8134  60.403  5.9979  10.99477       8.352889 
1 1 1 -15 11  2  o 93.380  3.7022  1059.96    83.885   1009.78    117.585  1111.97    119.707  90.891  5.3554  95.415  5.1901  -4.524078      7.457689 
1 1 1 -15 11  3  o 58.074  3.8542  411.815    54.002   402.322    75.728   421.636    77.028   57.200  5.5251  58.574  5.4835  -1.374367      7.784328 
1 1 1 -15 11  4  o 141.237 4.1334  2425.93    141.651  2428.82    198.728  2422.95    201.960  141.155 5.8023  140.973 5.9043  0.1825867      8.278087 
1 1 1 -15 11  5  o 117.258 3.9233  1671.73    111.626  1684.80    156.613  1658.24    159.142  117.594 5.4888  116.651 5.6225  0.9426880      7.857498 
1 1 1 -15 11  6  o 182.667 4.5947  4060.18    203.649  3997.58    286.191  4124.40    289.850  180.981 6.5172  183.833 6.4981  -2.851471      9.203180 
1 1 1 -15 11  7  o 249.015 8.0838  7592.07    488.435  7699.33    665.614  7466.92    718.971  249.808 10.981  245.585 12.066  4.223434       16.31453 
1 1 1 -15 11  8  o 166.562 6.2652  3384.35    253.209  3078.47    333.261  3802.06    389.451  158.220 8.7144  175.764 9.1636  -17.54385      12.64563 
1 1 1 -15 11  9  o 151.936 6.1252  2815.35    225.810  2781.07    294.683  2864.11    351.453  150.502 8.0994  152.389 9.5533  -1.886703      12.52458 
1 1 1 -15 11  10 o 119.746 5.6623  1747.44    164.520  1677.60    210.343  1857.48    264.039  116.906 7.4541  122.739 8.9270  -5.832794      11.62995 
1 1 1 -15 11  11 o 236.842 7.7115  6862.10    443.161  6491.14    598.776  7311.43    658.992  229.456 10.755  243.374 11.159  -13.91811      15.49830 
1 1 1 -15 11  12 o 47.455  4.4798  276.404    50.972   278.668    73.108   274.262    71.106   47.346  6.5383  46.985  6.4038  0.3602219      9.151970 
1 1 1 -15 11  13 o 134.385 4.1076  2196.20    133.937  2101.86    188.777  2291.83    190.061  131.298 5.9255  137.128 5.7122  -5.829102      8.230476 
1 1 1 -15 11  14 o 110.390 3.9405  1481.68    105.547  1653.66    149.102  1308.94    149.432  116.519 5.2738  103.437 5.9794  13.08193       7.972830 
1 1 1 -15 11  15 o 144.850 4.3997  2552.61    154.635  2657.09    217.670  2446.16    219.717  147.598 6.0779  141.578 6.3959  6.019806       8.823202 
1 1 1 -15 11  16 o 115.287 4.0884  1616.45    114.367  1571.07    161.423  1662.19    162.058  113.358 5.8891  116.770 5.7197  -3.412567      8.209533 
1 1 1 -15 11  17 o 104.485 4.1090  1327.82    104.173  1282.57    142.645  1379.54    152.495  102.404 5.7643  106.190 5.9423  -3.786430      8.278736 
1 1 1 -15 11  18 o 84.713  6.1684  880.289    125.918  555.735    206.928  1071.14    158.679  65.649  13.443  93.345  7.0581  -27.69557      15.18312 
1 1 1 -15 11  19 o 159.032 6.5365  3089.28    252.229  2789.55    390.114  3304.58    330.632  149.879 10.800  163.927 8.3400  -14.04868      13.64504 
1 1 1 -15 11  20 o 93.600  6.3043  1074.69    142.344  1040.15    248.466  1091.57    173.669  90.916  11.522  94.089  7.6739  -3.172981      13.84339 
1 1 1 -15 11  21 o 165.825 4.6854  3349.03    188.521  3254.90    264.688  3445.95    268.573  163.151 6.6862  167.889 6.5929  -4.738144      9.389961 
1 1 1 -15 11  22 o 89.681  4.2346  979.075    92.148   1037.11    128.712  918.050    131.982  91.986  5.7964  86.433  6.3374  5.552773       8.588381 
1 1 1 -15 11  23 o 179.836 4.7656  3942.07    207.950  3849.20    294.728  4034.13    293.448  177.263 6.8523  181.519 6.6626  -4.255951      9.557475 
1 1 1 -15 11  24 o 31.769  7.1329  128.691    53.637   120.928    73.751   137.407    78.147   31.021  9.1636  32.900  9.3491  -1.878195      13.09107 
1 1 1 -15 11  25 o 159.789 4.5838  3114.58    177.719  3025.59    252.211  3202.35    250.464  157.025 6.6196  161.610 6.3872  -4.584946      9.198676 
1 1 1 -15 11  26 o 102.067 4.1838  1270.46    103.614  1325.28    147.028  1216.37    146.040  103.827 5.8601  99.404  6.0842  4.423454       8.447352 
1 1 1 -15 11  27 f 55.828  4.8258  383.894    64.729   428.046    87.821   331.381    95.776   58.689  6.2638  51.145  7.9780  7.544098       10.14314 
1 1 1 -15 11  28 o 55.004  4.8252  373.111    63.747   341.199    89.999   405.242    90.307   52.015  7.3344  56.941  6.6622  -4.925663      9.908548 
1 1 1 -15 11  29 o 12.875  5.9386  -33.3385   43.171   13.383     54.143   -114.8908  71.532   18.260  7.5368  14.069  6.8114  4.191297       10.15868 
1 1 1 -15 11  30 o 108.422 4.2451  1438.81    111.680  1510.67    158.569  1368.08    157.317  110.483 5.9368  105.030 6.2005  5.453331       8.584408 
1 1 1 -15 11  31 o 51.088  5.0042  323.905    61.237   323.112    83.048   324.850    90.655   50.509  6.9613  50.434  7.6479  0.7455826E-01  10.34170 
1 1 1 -15 11  32 o 45.013  6.8356  257.880    72.312   220.847    84.209   361.872    141.112  41.033  8.7263  51.711  11.539  -10.67753      14.46736 
1 1 1 -15 11  33 o 66.231  5.8622  547.944    93.234   496.546    111.253  669.201    170.879  62.456  7.4908  71.362  10.155  -8.906334      12.61898 
1 1 1 -15 11  34 o 38.668  6.0676  190.094    55.055   150.740    73.714   239.739    82.794   33.734  8.8831  42.817  8.2686  -9.083370      12.13587 
1 1 1 -15 11  35 o 37.413  7.6857  182.830    67.436   318.058    91.945   25.406     99.205   49.567  7.9108  24.163  10.106  25.40444       12.83407 
1 1 1 -15 11  36 o 60.653  5.5552  460.131    80.846   468.835    110.467  450.093    118.637  60.415  7.7116  58.807  8.5659  1.607540       11.52579 
1 1 1 -15 11  37 o 85.974  5.2035  918.989    108.038  932.563    139.732  898.814    170.356  85.905  6.7582  83.349  8.5442  2.555481       10.89392 
1 1 1 -15 11  38 o 23.440  9.4916  38.830     83.881   151.679    206.878  16.628     91.762   37.366  14.985  22.739  9.6263  14.62743       17.81035 
1 1 1 -15 11  39 o 28.829  10.460  98.874     94.408   87.987     216.889  101.420    104.864  34.758  14.762  29.573  10.975  5.185966       18.39464 
1 1 1 -15 11  40 o 66.368  5.2690  552.249    84.152   584.222    118.052  519.218    119.989  67.277  7.3514  63.026  8.0285  4.251282       10.88573 
1 1 1 -15 11  41 o 36.689  7.7251  179.422    66.597   141.740    93.582   218.085    94.794   32.292  10.460  39.624  9.8906  -7.332268      14.39555 
1 1 1 -15 11  42 o 32.943  8.3308  147.577    66.633   91.966     96.616   198.023    92.020   27.976  10.505  37.581  9.9389  -9.604216      14.46133 
1 1 1 -15 11  43 o 65.424  5.4506  542.215    85.738   458.315    117.782  636.785    125.048  58.345  8.5756  69.666  7.5166  -11.32108      11.40352 
1 1 1 -15 11  44 o 24.779  8.7651  76.545     65.831   74.594     92.656   78.534     93.549   26.147  10.169  26.497  10.242  -0.3498688     14.43262 
1 1 1 -15 11  45 f 43.527  7.1781  251.850    73.168   247.404    105.779  255.928    101.316  41.233  10.534  42.261  10.031  -1.028122      14.54603 
1 1 1 -15 11  46 o 41.645  7.8796  235.264    76.704   216.780    101.922  259.407    116.483  38.488  10.584  41.717  11.250  -3.228813      15.44625 
1 1 1 -15 11  47 o 38.764  10.452  219.147    100.554  219.147    100.554  0.0000     0.0000   38.764  10.452  ?       ?       0.000000       10.45219 
1 1 1 -15 11  48 o 32.618  10.888  151.962    101.103  151.962    101.103  0.0000     0.0000   32.618  10.888  ?       ?       0.000000       10.88780 
1 1 1 -15 11  49 o 26.741  8.8560  95.835     66.936   84.522     85.990   113.230    106.629  26.413  9.9117  29.540  11.047  -3.126785      14.84144 
1 1 1 -15 11  50 o 18.925  8.0388  13.172     64.345   46.146     86.026   -28.7043   96.946   23.386  9.5585  20.156  9.1454  3.229914       13.22890 
1 1 1 -15 11  51 o 43.618  12.248  300.504    134.955  588.795    327.973  241.742    148.071  50.650  19.277  38.600  13.175  12.04986       23.34903 
1 1 1 -15 12  1  o 100.963 3.8823  1239.34    95.106   1314.13    136.096  1167.95    132.960  103.719 5.4267  97.736  5.6305  5.982437       7.819916 
1 1 1 -15 12  2  o 99.073  4.1487  1193.74    99.733   1285.87    126.022  1039.35    163.146  102.764 5.0541  91.913  7.3775  10.85159       8.942682 
1 1 1 -15 12  3  o 124.179 3.9588  1874.99    119.284  1822.66    166.979  1929.54    170.460  122.295 5.6271  125.834 5.5829  -3.538803      7.926776 
1 1 1 -15 12  4  o 102.468 3.7875  1276.42    94.167   1276.75    131.565  1276.07    134.841  102.243 5.3217  102.198 5.4574  0.4470062E-01  7.622586 
1 1 1 -15 12  5  o 152.415 4.2453  2825.54    157.001  2883.91    220.416  2765.42    223.687  153.797 5.9065  150.577 6.1224  3.220428       8.507059 
1 1 1 -15 12  6  o 184.178 6.7646  4142.14    302.303  4425.09    403.946  3781.93    455.772  189.948 8.7644  174.798 10.799  15.14998       13.90794 
1 1 1 -15 12  7  o 197.172 6.9225  4748.65    331.185  4782.26    444.804  4706.83    496.119  197.336 9.2896  195.173 10.515  2.163010       14.03074 
1 1 1 -15 12  8  o 190.823 6.7964  4446.66    314.683  4372.58    420.007  4541.45    475.133  188.723 9.1721  191.793 10.247  -3.069336      13.75231 
1 1 1 -15 12  9  o 197.264 7.0056  4753.86    335.316  4890.04    448.806  4581.78    504.480  199.552 9.2691  192.443 10.848  7.109528       14.26877 
1 1 1 -15 12  10 o 134.955 4.1772  2215.07    136.784  2269.24    191.906  2159.14    195.015  136.439 5.7968  133.061 6.0402  3.377930       8.371798 
1 1 1 -15 12  11 o 251.471 5.7601  7708.36    351.468  7674.31    495.841  7742.76    498.269  250.321 8.1636  251.434 8.1673  -1.112854      11.54766 
1 1 1 -15 12  12 o 45.931  4.6417  259.334    51.020   293.879    70.598   221.569    73.816   48.712  6.1073  41.942  7.5301  6.770031       9.695441 
1 1 1 -15 12  13 o 79.774  3.8965  773.765    75.421   819.029    106.129  727.581    107.203  81.818  5.3758  77.042  5.7768  4.776833       7.891201 
1 1 1 -15 12  14 o 207.437 5.1019  5240.39    256.792  5442.11    363.708  5039.88    362.613  211.014 7.1036  203.012 7.3614  8.002945       10.22988 
1 1 1 -15 12  15 o 15.943  6.9072  -7.0974    49.300   11.214     56.289   -67.4024   102.151  18.541  7.6714  20.317  9.2836  -1.775900      12.04308 
1 1 1 -15 12  16 o 84.961  4.0977  877.979    84.474   796.211    116.988  967.054    122.104  80.567  6.0281  88.882  5.6917  -8.315300      8.290570 
1 1 1 -15 12  17 o 46.420  8.1411  271.664    88.353   297.650    152.671  258.579    108.338  48.076  12.844  44.935  10.173  3.141354       16.38457 
1 1 1 -15 12  18 o 47.562  8.5910  285.990    95.495   393.713    165.014  231.747    117.095  55.204  12.597  42.511  11.197  12.69322       16.85394 
1 1 1 -15 12  19 o 185.950 7.0289  4230.15    317.135  3856.35    481.793  4515.93    421.270  176.033 11.340  191.601 9.0615  -15.56767      14.51581 
1 1 1 -15 12  20 o 171.547 4.7193  3584.56    196.436  3442.79    274.750  3732.80    280.961  167.771 6.7492  174.720 6.6273  -6.948654      9.459064 
1 1 1 -15 12  21 o 94.402  4.2764  1084.97    97.954   994.995    132.288  1194.19    145.742  90.039  6.0910  98.673  6.1175  -8.633865      8.632723 
1 1 1 -15 12  22 o 111.109 4.2331  1503.34    114.123  1364.87    156.958  1658.65    166.228  105.473 6.1599  116.355 5.9072  -10.88237      8.534597 
1 1 1 -15 12  23 f 59.096  4.7114  428.541    66.997   492.935    92.306   356.852    97.394   63.185  6.0964  53.332  7.7533  9.853115       9.863103 
1 1 1 -15 12  24 o 103.750 4.1382  1311.76    104.175  1356.32    147.160  1266.98    147.493  105.117 5.7920  101.539 6.0133  3.578094       8.349126 
1 1 1 -15 12  25 o 130.206 4.2828  2068.05    135.309  1943.35    191.668  2191.94    191.044  125.827 6.2779  133.726 5.8878  -7.899094      8.606866 
1 1 1 -15 12  26 o 30.189  7.3294  116.996    53.150   67.396     72.120   175.960    78.634   25.290  9.1478  36.876  8.8917  -11.58645      12.75710 
1 1 1 -15 12  27 o 56.779  4.7349  397.168    64.637   431.202    89.094   359.349    93.918   58.838  6.3408  53.373  7.4556  5.464760       9.787341 
1 1 1 -15 12  28 o 116.033 4.3401  1646.83    122.191  1652.87    172.795  1640.79    172.813  115.604 6.1826  115.171 6.2069  0.4333344      8.760695 
1 1 1 -15 12  29 o 17.188  6.9278  17.321     44.464   2.7643     57.203   39.541     70.675   17.812  7.5731  22.502  8.8438  -4.690269      11.64322 
1 1 1 -15 12  30 o 35.874  6.4452  164.200    54.040   144.089    73.770   187.489    79.387   33.176  8.9555  37.806  8.8162  -4.630024      12.56690 
1 1 1 -15 12  31 o 29.912  8.1390  116.584    60.646   166.132    70.737   -20.8826   117.823  35.599  8.3360  23.708  10.464  11.89011       13.37844 
1 1 1 -15 12  32 o 65.727  5.8772  539.786    92.741   571.753    111.823  469.351    165.990  67.281  6.9498  58.637  12.069  8.644283       13.92691 
1 1 1 -15 12  33 o 43.013  7.0918  237.673    71.436   272.833    82.832   135.612    141.124  45.943  7.7031  34.209  12.725  11.73380       14.87489 
1 1 1 -15 12  34 o 62.074  5.1692  479.581    77.148   476.118    111.331  482.780    107.006  60.933  7.7020  61.523  7.3112  -0.5899506     10.61957 
1 1 1 -15 12  35 o 38.157  7.8288  190.760    70.053   80.408     98.713   302.722    99.430   27.860  10.582  47.908  8.8807  -20.04792      13.81482 
1 1 1 -15 12  36 o 23.168  8.5637  56.907     63.717   67.816     90.390   46.131     89.832   26.241  10.088  24.576  9.8677  1.665012       14.11178 
1 1 1 -15 12  37 o 32.869  10.556  143.146    95.461   -161.5925  212.695  220.015    106.824  26.802  12.629  39.965  10.772  -13.16350      16.59872 
1 1 1 -15 12  38 o 25.226  10.003  55.475     91.166   59.388     210.099  54.568     101.189  33.313  14.346  25.970  10.457  7.342655       17.75250 
1 1 1 -15 12  39 o 16.041  7.2065  -22.1733   58.477   -60.0957   80.506   20.183     85.082   17.224  8.0020  22.128  9.3130  -4.903860      12.27859 
1 1 1 -15 12  40 o 70.330  5.2373  620.890    88.733   579.225    121.774  668.055    129.561  66.665  7.6680  71.709  7.5602  -5.044037      10.76822 
1 1 1 -15 12  41 o 41.598  7.3586  228.572    71.556   225.667    98.578   231.807    104.033  40.054  10.135  40.430  10.508  -0.3756561     14.59929 
1 1 1 -15 12  42 o 29.689  8.8103  120.334    68.051   -29.4421   96.299   269.730    96.177   20.316  9.1760  44.161  9.2710  -23.84497      13.04415 
1 1 1 -15 12  43 o 31.902  8.7767  141.077    70.068   172.170    98.808   109.624    99.376   34.614  10.689  29.201  10.711  5.412899       15.13250 
1 1 1 -15 12  44 o 47.493  6.4656  294.409    72.571   300.616    101.760  287.985    103.526  46.319  9.3760  45.071  9.7499  1.247730       13.52665 
1 1 1 -15 12  45 o 25.533  8.7794  84.888     65.777   62.261     92.185   108.357    93.885   25.058  10.019  28.714  10.429  -3.656229      14.46217 
1 1 1 -15 12  46 o 44.944  10.182  291.244    108.467  291.244    108.467  0.0000     0.0000   44.944  10.182  ?       ?       0.000000       10.18218 
1 1 1 -15 12  47 o 28.760  10.365  109.359    92.476   109.359    92.476   0.0000     0.0000   28.760  10.365  ?       ?       0.000000       10.36540 
1 1 1 -15 12  48 o 16.554  7.4703  -22.4058   63.662   -36.2941   82.698   -2.2035    99.741   18.273  8.3509  21.782  9.6198  -3.508366      12.73882 
1 1 1 -15 12  49 o 17.414  7.6049  -1.9450    60.760   43.766     76.383   -80.7073   100.263  22.431  9.0664  18.407  8.6724  4.023911       12.54635 
1 1 1 -15 12  50 o 35.901  12.306  199.677    129.188  469.289    317.258  146.087    141.446  46.419  18.577  32.329  12.566  14.09053       22.42844 
1 1 1 -15 13  1  o 66.189  3.7622  534.296    60.172   544.127    84.420   524.144    85.788   66.632  5.2644  65.364  5.4590  1.267998       7.583836 
1 1 1 -15 13  2  o 80.830  3.7078  794.216    72.719   830.438    101.797  756.469    103.917  82.422  5.1153  78.605  5.4827  3.817200       7.498472 
1 1 1 -15 13  3  o 185.165 4.7215  4172.92    212.128  4214.62    297.746  4129.93    302.295  185.804 6.6043  183.898 6.7747  1.906235       9.461161 
1 1 1 -15 13  4  o 134.574 5.8146  2207.83    189.867  2220.39    247.020  2189.70    296.810  134.518 7.5992  133.223 9.2391  1.294952       11.96282 
1 1 1 -15 13  5  o 124.339 5.5937  1884.07    168.761  1758.53    218.632  2069.14    265.451  119.670 7.5685  129.658 8.4845  -9.987724      11.36960 
1 1 1 -15 13  6  o 198.275 6.9221  4802.37    333.018  4714.98    446.845  4911.56    499.453  195.898 9.4008  199.417 10.358  -3.519302      13.98779 
1 1 1 -15 13  7  o 253.418 8.1546  7865.88    501.420  7813.22    683.207  7927.36    738.214  251.515 11.195  253.001 12.025  -1.485764      16.42971 
1 1 1 -15 13  8  o 104.488 5.4192  1333.69    136.923  1164.54    173.633  1611.85    222.662  97.314  7.4092  114.452 8.0695  -17.13820      10.95506 
1 1 1 -15 13  9  o 165.923 4.5044  3349.82    181.348  3340.76    254.484  3359.17    258.493  165.462 6.3387  165.905 6.4214  -0.4425507     9.022890 
1 1 1 -15 13  10 o 265.395 5.9910  8589.71    385.794  8481.75    543.993  8698.94    547.212  263.023 8.5238  266.389 8.4660  -3.365143      12.01366 
1 1 1 -15 13  11 o 161.532 4.4261  3174.64    173.477  3080.22    313.872  3216.16    208.160  158.357 8.1968  162.487 5.2798  -4.129715      9.750012 
1 1 1 -15 13  12 o 131.790 4.2164  2112.70    134.831  1953.02    188.559  2279.76    192.873  126.525 6.1420  136.740 5.8132  -10.21420      8.456733 
1 1 1 -15 13  13 o 148.994 4.3464  2700.85    157.131  2516.83    220.882  2889.39    223.578  143.600 6.3393  153.912 5.9868  -10.31157      8.719391 
1 1 1 -15 13  14 o 112.550 4.0811  1540.74    111.451  1478.57    158.434  1601.64    156.809  109.939 5.9615  114.621 5.6382  -4.681931      8.205439 
1 1 1 -15 13  15 o 89.911  4.0359  983.248    88.048   920.435    125.144  1044.82    123.903  86.657  5.9885  92.415  5.5512  -5.758156      8.165662 
1 1 1 -15 13  16 o 138.431 6.0757  2338.63    204.078  2566.17    320.982  2184.25    264.397  144.176 9.2237  133.215 8.2199  10.96121       12.35494 
1 1 1 -15 13  17 o 170.662 6.6059  3559.09    273.547  3640.40    419.770  3499.08    360.637  171.485 10.133  168.513 8.8511  2.971481       13.45465 
1 1 1 -15 13  18 o 130.234 6.1484  2071.18    194.290  1935.87    307.799  2160.80    250.503  124.789 10.256  132.531 7.8246  -7.742111      12.90018 
1 1 1 -15 13  19 f 112.981 4.2384  1553.72    116.192  1438.33    159.676  1683.59    169.395  108.346 6.0986  117.269 5.9730  -8.923264      8.536383 
1 1 1 -15 13  20 o 184.482 4.8210  4147.81    215.804  3881.15    302.773  4423.18    307.670  178.004 7.0101  190.113 6.6697  -12.10966      9.676105 
1 1 1 -15 13  21 o 261.956 5.9840  8388.60    380.349  7887.79    536.943  8892.98    538.853  252.929 8.7491  268.796 8.2620  -15.86661      12.03360 
1 1 1 -15 13  22 o 185.596 4.8637  4202.23    219.029  4029.97    306.644  4381.65    312.960  181.223 6.9736  189.010 6.8240  -7.787231      9.756949 
1 1 1 -15 13  23 o 79.335  4.3495  769.701    83.409   682.345    111.274  881.731    126.012  74.361  6.2244  84.604  6.1812  -10.24272      8.772120 
1 1 1 -15 13  24 o 212.330 5.2961  5515.78    272.855  5435.95    386.636  5594.98    385.120  209.863 7.5928  212.977 7.4524  -3.114334      10.63907 
1 1 1 -15 13  25 o 203.608 5.1934  5075.83    256.571  4688.67    362.392  5464.93    363.302  194.640 7.6733  210.427 7.1155  -15.78654      10.46467 
1 1 1 -15 13  26 o 123.933 4.2730  1876.61    128.494  1858.41    181.441  1894.92    181.997  122.886 6.0851  124.100 6.0441  -1.213242      8.576663 
1 1 1 -15 13  27 o 80.112  4.2725  787.027    82.750   787.359    117.656  786.702    116.406  79.682  6.1325  79.667  6.0675  0.1551056E-01  8.626867 
1 1 1 -15 13  28 o 99.695  4.2611  1216.59    103.077  1168.86    146.671  1263.16    144.890  97.033  6.2630  101.000 5.9384  -3.966309      8.630764 
1 1 1 -15 13  29 o 21.606  7.4361  53.710     47.194   56.839     61.895   49.364     72.942   23.205  8.4621  23.519  9.0568  -0.3135586     12.39491 
1 1 1 -15 13  30 o 41.482  7.5329  221.870    73.027   215.613    85.754   238.383    139.308  40.466  8.9694  41.914  12.644  -1.448704      15.50209 
1 1 1 -15 13  31 o 74.100  5.6800  683.836    101.347  570.593    122.789  925.849    179.504  66.912  7.7036  84.835  8.8507  -17.92336      11.73371 
1 1 1 -15 13  32 f 35.716  7.8018  167.010    65.719   229.059    75.243   -32.5987   134.956  42.021  7.6620  24.725  11.039  17.29637       13.43715 
1 1 1 -15 13  33 o 75.562  4.8839  707.506    89.064   785.314    128.348  635.242    123.691  78.886  6.7711  70.660  7.3207  8.226379       9.971915 
1 1 1 -15 13  34 o 42.255  6.6232  228.581    65.673   214.411    96.104   240.996    89.953   39.826  9.9685  42.584  8.9882  -2.757954      13.42232 
1 1 1 -15 13  35 o 27.084  8.5378  94.010     62.674   123.039    86.640   62.144     90.773   30.848  10.069  25.832  10.060  5.015642       14.23299 
1 1 1 -15 13  36 o 34.250  10.313  158.173    92.737   241.702    229.551  141.881    101.379  42.407  16.130  32.881  10.899  9.526379       19.46731 
1 1 1 -15 13  37 o 15.696  7.4134  -76.2898   74.091   -216.2111  213.384  -57.1083   79.006   25.446  12.177  17.206  7.9704  8.239798       14.55334 
1 1 1 -15 13  38 o 47.238  9.8208  304.869    108.895  67.559     249.910  360.486    120.984  35.244  15.406  51.332  10.073  -16.08825      18.40723 
1 1 1 -15 13  39 o 35.952  8.0996  173.602    68.962   185.078    94.197   160.347    101.236  36.443  10.233  34.082  10.862  2.360996       14.92302 
1 1 1 -15 13  40 o 51.552  6.1790  340.858    75.750   338.527    105.706  343.319    108.606  49.910  9.0625  50.154  9.2658  -0.2440796     12.96092 
1 1 1 -15 13  41 o 34.585  7.9978  162.241    65.776   59.926     92.364   267.523    93.693   25.186  10.043  44.098  9.0594  -18.91223      13.52504 
1 1 1 -15 13  42 o 40.866  7.4571  223.237    71.218   321.142    97.629   111.884    104.119  48.534  8.6054  29.556  10.943  18.97782       13.92104 
1 1 1 -15 13  43 o 36.589  7.8603  182.416    67.702   216.202    95.589   148.407    95.903   38.741  10.074  32.298  10.596  6.442787       14.62067 
1 1 1 -15 13  44 f 24.339  8.6288  74.402     63.835   132.727    87.165   6.9334     93.748   30.723  10.103  21.680  9.4577  9.042883       13.83877 
1 1 1 -15 13  45 o 33.683  10.896  165.451    101.575  165.451    101.575  0.0000     0.0000   33.683  10.896  ?       ?       0.000000       10.89596 
1 1 1 -15 13  46 o 43.832  10.330  278.950    108.062  278.950    108.062  0.0000     0.0000   43.832  10.330  ?       ?       0.000000       10.32968 
1 1 1 -15 13  47 o 23.893  9.4934  56.203     82.270   72.829     87.198   -78.5200   248.220  25.508  9.8801  29.180  13.716  -3.672157      16.90438 
1 1 1 -15 13  48 o 18.051  7.8683  -0.1382    64.771   46.336     84.443   -66.5595   100.951  23.277  9.4871  19.002  8.8723  4.274937       12.98939 
1 1 1 -15 13  49 o 64.171  8.1261  559.882    123.692  215.997    317.563  621.385    134.299  38.181  16.998  67.404  8.3934  -29.22231      18.95731 
1 1 1 -15 13  50 o 37.379  12.134  222.759    125.885  292.679    270.951  203.512    142.160  39.501  16.622  35.652  12.851  3.849239       21.01057 
1 1 1 -15 14  1  f 195.778 4.7900  4665.65    227.543  4592.36    319.441  4741.15    324.200  193.908 6.7894  197.026 6.7815  -3.117767      9.596063 
1 1 1 -15 14  2  o 165.478 6.3657  3341.77    255.593  3439.55    338.912  3212.81    389.212  167.530 8.3374  161.265 9.9960  6.265030       13.01662 
1 1 1 -15 14  3  o 169.782 6.3803  3517.96    262.841  3471.71    348.828  3578.70    399.790  168.049 8.5835  170.314 9.7145  -2.265625      12.96330 
1 1 1 -15 14  4  o 212.775 7.2950  5535.23    376.623  5582.02    506.949  5477.60    562.645  213.009 9.8085  210.337 11.063  2.671921       14.78519 
1 1 1 -15 14  5  o 43.915  8.0192  243.384    82.301   243.384    82.301   0.0000     0.0000   43.915  8.0192  ?       ?       0.000000       8.019152 
1 1 1 -15 14  6  o 78.538  5.3957  755.022    102.200  650.865    127.783  939.928    170.257  72.595  7.3560  87.230  8.1380  -14.63511      10.96983 
1 1 1 -15 14  7  o 156.167 4.3713  2967.06    165.638  3094.74    232.922  2836.43    235.596  159.291 6.0264  152.451 6.3690  6.839783       8.768229 
1 1 1 -15 14  8  o 87.843  3.7918  938.141    80.820   877.984    113.467  1000.09    115.146  84.698  5.5519  90.456  5.2690  -5.757759      7.654169 
1 1 1 -15 14  9  o 95.230  3.8269  1102.62    88.427   1124.25    124.513  1080.60    125.602  95.910  5.3720  94.003  5.5311  1.907295       7.710446 
1 1 1 -15 14  10 o 169.852 4.5159  3510.74    186.113  3679.90    261.369  3336.74    265.077  173.662 6.2028  165.303 6.6089  8.359406       9.063747 
1 1 1 -15 14  11 o 450.974 9.2657  24994.27   1013.90  20205.55   1402.90  30230.41   1466.97  401.859 14.388  493.609 12.248  -91.74960      18.89508 
1 1 1 -15 14  12 o 102.332 4.0709  1273.67    101.080  1325.08    141.661  1220.34    144.272  104.106 5.6289  99.844  5.9828  4.262596       8.214526 
1 1 1 -15 14  13 o 103.346 4.0716  1299.11    102.099  1225.68    143.297  1374.82    145.508  100.066 5.9283  106.037 5.6760  -5.971184      8.207405 
1 1 1 -15 14  14 o 184.070 6.8496  4141.32    305.925  4146.73    464.898  4137.19    406.288  182.985 10.515  183.450 9.1275  -0.4656219     13.92393 
1 1 1 -15 14  15 o 197.967 6.9889  4792.79    335.711  5309.83    509.565  4396.25    446.246  207.469 10.122  188.642 9.7828  18.82654       14.07716 
1 1 1 -15 14  16 f 73.447  6.4563  664.065    113.891  677.694    199.126  657.438    138.844  73.066  11.621  72.797  7.9920  0.2692261      14.10381 
1 1 1 -15 14  17 o 148.264 6.3257  2685.89    227.568  2675.30    360.623  2692.89    293.351  146.816 10.186  147.882 8.2077  -1.066071      13.08146 
1 1 1 -15 14  18 o 39.132  6.0755  191.402    55.817   107.412    76.556   286.722    81.556   29.743  9.4425  47.855  7.2508  -18.11185      11.90522 
1 1 1 -15 14  19 o 98.861  4.2274  1190.00    101.405  1148.68    139.865  1235.79    147.236  96.775  5.9858  100.375 6.0740  -3.599792      8.527792 
1 1 1 -15 14  20 o 129.287 4.3156  2036.12    135.382  1915.01    187.653  2167.58    195.506  125.117 6.1812  133.135 6.0521  -8.018181      8.650723 
1 1 1 -15 14  21 o 89.423  4.2772  974.393    92.804   977.020    126.637  971.346    136.396  89.180  5.8854  88.825  6.3709  0.3549652      8.673312 
1 1 1 -15 14  22 o 148.056 4.4244  2673.52    158.946  2583.13    221.946  2768.68    227.732  145.139 6.3023  150.275 6.2456  -5.136765      8.872782 
1 1 1 -15 14  23 o 239.053 5.6126  6999.86    325.556  6582.42    458.642  7423.79    462.189  230.571 8.1980  245.114 7.7712  -14.54337      11.29593 
1 1 1 -15 14  24 o 128.230 4.3182  2007.76    134.355  1873.15    186.837  2151.91    193.343  123.267 6.2674  132.353 6.0205  -9.085846      8.690568 
1 1 1 -15 14  25 o 66.309  4.3801  539.748    70.077   574.843    97.841   502.782    100.416  68.107  5.9812  63.507  6.6135  4.599968       8.917029 
1 1 1 -15 14  26 o 127.203 4.3393  1979.41    133.931  1929.51    189.336  2029.39    189.477  125.039 6.2406  128.287 6.0871  -3.248207      8.717653 
1 1 1 -15 14  27 o 82.306  4.2428  831.335    84.444   843.995    117.364  817.747    121.591  82.497  5.9021  81.099  6.2266  1.398415       8.579371 
1 1 1 -15 14  28 o 143.898 4.5156  2540.34    157.664  2448.24    223.466  2631.63    222.480  140.404 6.5595  145.702 6.2931  -5.297958      9.090068 
1 1 1 -15 14  29 o 102.369 5.8047  1301.14    143.589  1376.76    178.821  1163.88    240.915  104.736 7.0781  94.246  10.726  10.48987       12.85096 
1 1 1 -15 14  30 o 68.838  5.9581  592.333    98.537   648.034    117.769  462.324    179.923  71.694  6.8535  57.592  13.163  14.10163       14.84005 
1 1 1 -15 14  31 o 20.394  8.0691  31.746     59.204   -20.9970   67.638   204.559    122.432  17.609  7.8417  38.832  11.883  -21.22286      14.23760 
1 1 1 -15 14  32 o 16.691  7.1707  -0.5338    52.253   1.8174     77.896   -2.4574    70.456   20.352  8.7496  19.138  8.2745  1.213808       12.04255 
1 1 1 -15 14  33 o 54.428  5.6896  371.973    74.028   377.785    104.486  366.115    104.899  53.895  8.2528  52.959  8.4472  0.9362488      11.80949 
1 1 1 -15 14  34 o 18.950  7.8614  15.532     59.335   -56.7259   86.853   78.770     81.251   18.319  8.4402  26.493  9.6902  -8.173965      12.85056 
1 1 1 -15 14  35 o 41.456  9.7701  233.241    96.668   197.728    223.466  241.417    107.219  40.087  15.735  41.904  10.552  -1.817310      18.94540 
1 1 1 -15 14  36 o 34.743  10.527  164.395    96.416   86.214     210.560  185.137    108.455  34.394  14.572  36.650  11.179  -2.255886      18.36613 
1 1 1 -15 14  37 o 36.050  10.554  179.797    98.219   -195.8233  217.084  276.482    110.137  25.996  12.396  44.676  10.361  -18.68028      16.15613 
1 1 1 -15 14  38 o 39.474  7.7247  206.877    71.338   162.551    97.662   257.584    104.454  34.271  10.634  43.006  10.170  -8.735119      14.71454 
1 1 1 -15 14  39 o 58.250  5.7564  431.177    80.295   418.977    111.153  444.490    116.117  56.018  8.4395  57.651  8.5608  -1.632866      12.02138 
1 1 1 -15 14  40 o 20.331  8.2308  30.474     63.061   55.433     85.660   0.9430     93.176   24.357  9.6841  21.534  9.4105  2.822559       13.50330 
1 1 1 -15 14  41 o 15.910  7.2127  -25.7604   60.134   -13.1904   81.420   -40.8461   89.196   19.397  8.6227  18.914  8.6546  0.4828606      12.21693 
1 1 1 -15 14  42 o 19.623  7.9613  28.639     59.135   -64.6313   84.383   118.654    82.897   17.246  8.0715  29.399  9.8587  -12.15316      12.74140 
1 1 1 -15 14  43 o 55.113  5.9396  391.975    78.174   442.310    109.497  339.649    111.642  57.185  8.1195  48.908  9.7499  8.277325       12.68805 
1 1 1 -15 14  44 o 76.631  5.5290  749.401    102.114  593.525    136.329  948.628    154.125  65.779  8.7594  84.479  7.6004  -18.69998      11.59709 
1 1 1 -15 14  45 o 83.958  8.3427  953.146    167.704  953.146    167.704  0.0000     0.0000   83.958  8.3427  ?       ?       0.000000       8.342664 
1 1 1 -15 14  46 o 24.826  9.9124  61.680     90.095   121.864    96.563   -342.9142  250.367  29.857  10.610  24.311  11.974  5.545994       15.99834 
1 1 1 -15 14  47 o 19.695  8.2055  22.437     65.040   34.625     79.480   -2.2688    113.162  22.017  9.1131  22.898  10.173  -0.8809013     13.65786 
1 1 1 -15 14  48 o 45.529  7.3002  278.518    77.921   213.394    97.999   390.466    128.487  37.985  10.351  51.537  10.628  -13.55203      14.83541 
1 1 1 -15 14  49 o 40.578  11.924  260.927    125.174  317.935    253.600  242.564    143.929  40.712  16.497  38.422  12.990  2.289505       20.99762 
1 1 1 -15 15  1  o 75.320  5.4499  694.858    98.927   596.830    123.560  869.915    165.116  69.465  7.4468  83.869  8.2195  -14.40334      11.09115 
1 1 1 -15 15  2  o 64.680  5.6188  513.725    87.306   559.335    107.324  424.494    150.115  67.357  6.6537  57.693  11.127  9.664055       12.96441 
1 1 1 -15 15  3  o 48.381  6.1972  290.186    71.078   338.007    86.631   191.692    124.328  52.132  7.0277  39.232  11.969  12.90076       13.87997 
1 1 1 -15 15  4  o 109.592 5.5703  1467.58    147.635  1468.38    188.395  1466.30    237.660  109.373 7.1381  108.907 9.0763  0.4653625      11.54693 
1 1 1 -15 15  5  o 31.360  7.9151  125.084    60.231   147.534    70.536   64.641     115.734  34.030  8.5525  29.064  11.348  4.965588       14.20974 
1 1 1 -15 15  6  o 38.171  4.9807  180.403    45.032   103.791    63.105   259.895    64.280   28.848  8.4637  45.788  5.9246  -16.94093      10.33125 
1 1 1 -15 15  7  o 28.365  5.9230  101.773    39.450   44.654     56.186   157.314    55.403   21.685  8.0364  35.315  6.7111  -13.63000      10.47010 
1 1 1 -15 15  8  o 164.005 4.4904  3273.23    178.691  3418.30    251.456  3125.24    253.978  167.370 6.1919  159.980 6.5428  7.389206       9.008206 
1 1 1 -15 15  9  o 150.630 4.2570  2760.36    155.591  2850.85    218.587  2667.42    221.521  152.886 5.8924  147.847 6.1750  5.038742       8.535308 
1 1 1 -15 15  10 o 161.339 4.4176  3167.58    172.938  3185.58    245.214  3149.78    243.932  161.552 6.2556  160.641 6.2582  0.9107666      8.848570 
1 1 1 -15 15  11 o 89.603  4.0996  976.624    89.132   940.487    125.227  1013.73    126.892  87.607  5.9259  90.991  5.7774  -3.383751      8.276151 
1 1 1 -15 15  12 o 113.511 4.1224  1567.44    113.542  1537.34    160.291  1597.76    160.855  112.101 5.9139  114.304 5.8190  -2.202255      8.296681 
1 1 1 -15 15  13 o 231.573 7.7713  6570.37    436.664  6727.06    650.040  6441.52    589.466  232.962 11.500  228.313 10.641  4.648880       15.66737 
1 1 1 -15 15  14 f 188.842 6.9512  4361.73    318.510  4332.23    483.460  4384.35    423.378  186.879 10.707  188.745 9.2446  -1.865280      14.14540 
1 1 1 -15 15  15 o 37.485  9.5867  179.767    87.541   278.142    170.294  144.434    102.058  46.739  13.952  34.387  10.901  12.35233       17.70589 
1 1 1 -15 15  16 o 221.287 7.6711  6004.91    411.889  5945.34    619.127  6052.21    551.687  218.344 11.729  221.220 10.278  -2.876846      15.59517 
1 1 1 -15 15  17 o 67.947  4.3849  564.508    71.907   498.253    99.773   636.117    103.726  63.489  6.5718  71.916  5.9991  -8.426392      8.898139 
1 1 1 -15 15  18 o 42.760  5.4708  226.772    55.460   208.525    75.604   248.031    81.604   40.510  7.9755  44.292  7.8820  -3.782135      11.21316 
1 1 1 -15 15  19 o 170.893 4.6506  3560.32    192.839  3572.60    273.453  3548.16    271.986  170.770 6.5994  170.188 6.5865  0.5818787      9.323861 
1 1 1 -15 15  20 o 31.085  7.1819  123.394    53.080   144.123    70.468   96.208     80.700   33.531  8.6152  28.765  9.7268  4.765291       12.99351 
1 1 1 -15 15  21 o 100.888 4.2236  1240.98    103.393  1160.94    141.421  1332.88    151.542  97.151  6.0291  104.123 6.0240  -6.972023      8.522814 
1 1 1 -15 15  22 o 112.092 4.2113  1532.83    114.539  1438.59    157.356  1639.03    167.044  108.118 6.0221  115.436 5.9844  -7.317719      8.489907 
1 1 1 -15 15  23 o 56.629  4.8429  395.076    65.904   434.656    85.014   335.470    104.328  59.187  6.0028  51.248  8.7012  7.939526       10.57090 
1 1 1 -15 15  24 f 69.781  4.4707  597.860    75.299   567.297    101.842  634.715    111.835  67.572  6.2834  71.443  6.5234  -3.870758      9.057385 
1 1 1 -15 15  25 o 150.102 4.5509  2758.89    165.749  2538.54    232.177  2987.90    236.697  143.221 6.6811  155.564 6.2707  -12.34259      9.162930 
1 1 1 -15 15  26 o 90.549  4.2047  1003.56    92.381   914.743    128.303  1099.18    133.123  85.795  6.2052  94.204  5.8529  -8.409370      8.529994 
1 1 1 -15 15  27 o 14.024  6.1921  -11.5292   41.302   1.4094     52.739   -32.0513   66.420   17.001  7.2511  16.867  7.6191  0.1342449      10.51804 
1 1 1 -15 15  28 o 29.888  8.3155  116.408    62.508   82.020     71.731   224.933    127.427  26.408  9.1630  40.775  12.045  -14.36608      15.13438 
1 1 1 -15 15  29 o 68.703  6.0580  590.759    99.954   605.067    120.190  558.672    179.990  69.076  7.2806  64.072  12.019  5.003952       14.05222 
1 1 1 -15 15  30 o 37.889  8.0194  188.268    71.427   218.984    83.150   101.788    139.520  40.719  8.6811  31.935  12.462  8.784090       15.18753 
1 1 1 -15 15  31 o 81.269  4.3361  814.744    85.195   758.501    116.606  879.146    124.777  77.721  6.2358  83.729  6.1855  -6.008163      8.783267 
1 1 1 -15 15  32 o 49.153  5.8715  304.829    68.640   310.029    98.458   299.912    95.741   48.539  8.6783  47.764  8.5763  0.7757072      12.20105 
1 1 1 -15 15  33 o 80.596  4.6837  804.588    91.198   718.779    129.610  888.729    128.345  75.112  7.1997  84.017  6.3425  -8.904694      9.594975 
1 1 1 -15 15  34 o 88.695  5.0835  978.425    108.945  950.727    141.516  1018.72    170.697  86.601  6.7890  88.940  7.9953  -2.338165      10.48882 
1 1 1 -15 15  35 o 35.088  10.261  168.099    92.890   144.702    179.462  176.661    108.564  35.679  14.070  35.891  11.225  -0.2122612     17.99905 
1 1 1 -15 15  36 o 28.995  10.299  104.121    90.971   168.893    189.123  84.624     103.763  37.012  14.491  28.126  10.810  8.885229       18.07849 
1 1 1 -15 15  37 o 45.917  6.6111  272.420    71.534   285.159    98.130   257.974    104.499  45.820  9.1468  43.033  10.169  2.787216       13.67764 
1 1 1 -15 15  38 f 37.489  7.7360  188.003    68.035   204.405    93.700   169.713    98.946   38.170  9.9979  34.750  10.691  3.420433       14.63757 
1 1 1 -15 15  39 o 71.285  5.4323  642.830    93.253   635.890    128.041  650.669    136.087  69.486  7.7251  69.980  8.1682  -0.4947662     11.24261 
1 1 1 -15 15  40 o 18.190  7.8900  0.8467     64.478   27.599     89.396   -28.1610   93.088   22.638  9.5378  19.940  9.0124  2.697962       13.12224 
1 1 1 -15 15  41 o 51.585  6.2386  345.273    76.499   383.125    102.871  298.444    114.422  53.170  8.2404  45.282  10.601  7.888306       13.42716 
1 1 1 -15 15  42 o 48.490  7.0133  311.547    80.118   359.815    114.265  264.871    112.367  50.380  9.6994  42.257  10.891  8.122952       14.58369 
1 1 1 -15 15  43 o 26.056  8.8798  90.135     67.264   145.591    85.778   1.5800     108.394  31.870  9.9791  22.666  10.018  9.204935       14.14036 
1 1 1 -15 15  44 o 40.243  10.766  240.513    107.183  240.513    107.183  0.0000     0.0000   40.243  10.766  ?       ?       0.000000       10.76602 
1 1 1 -15 15  45 o 49.180  10.016  346.901    115.456  346.901    115.456  0.0000     0.0000   49.180  10.016  ?       ?       0.000000       10.01565 
1 1 1 -15 15  46 o 57.530  6.1631  429.504    84.692   488.554    110.357  344.897    132.097  60.336  7.7147  47.773  11.528  12.56276       13.87130 
1 1 1 -15 15  47 o 38.251  8.2671  203.370    74.491   179.459    92.633   247.131    125.316  34.911  10.258  39.805  11.989  -4.893196      15.77799 
1 1 1 -15 15  48 o 31.050  11.626  137.816    118.170  3.4279     240.714  180.488    135.640  30.007  13.905  34.180  12.517  -4.172169      18.70900 
1 1 1 -15 16  1  o 244.785 7.9260  7338.93    470.766  7093.45    639.550  7629.24    695.489  239.608 11.000  248.265 11.545  -8.656769      15.94697 
1 1 1 -15 16  2  o 282.774 8.8185  9815.87    605.057  9558.96    828.699  10109.19   885.481  277.514 12.307  285.127 12.799  -7.613190      17.75598 
1 1 1 -15 16  3  o 107.667 5.5186  1416.56    143.687  1308.70    182.932  1590.29    232.163  103.181 7.3549  113.561 8.4869  -10.38058      11.23041 
1 1 1 -15 16  4  o 131.520 4.0741  2103.87    130.012  2129.02    182.421  2077.91    185.342  132.144 5.6894  130.530 5.8519  1.614456       8.161740 
1 1 1 -15 16  5  o 14.348  5.9279  6.7927     33.539   -20.5232   49.739   29.568     45.418   15.032  6.7069  18.770  7.1664  -3.738635      9.815268 
1 1 1 -15 16  6  o 103.160 3.9465  1294.19    98.783   1338.21    138.334  1248.39    141.109  104.643 5.4672  101.016 5.7811  3.626892       7.956841 
1 1 1 -15 16  7  o 125.458 4.1160  1914.59    125.295  2169.47    176.388  1655.01    178.010  133.415 5.4488  116.264 6.3340  17.15121       8.355124 
1 1 1 -15 16  8  o 91.319  3.9260  1014.16    86.991   1026.03    120.333  1001.17    125.905  91.590  5.4391  90.424  5.7685  1.165703       7.928381 
1 1 1 -15 16  9  f 117.637 4.1813  1683.58    119.349  1656.99    169.146  1709.94    168.426  116.380 6.0104  118.395 5.8629  -2.015732      8.396343 
1 1 1 -15 16  10 o 131.212 4.2391  2094.82    134.963  2187.53    191.912  2004.11    189.838  133.901 5.9068  128.140 6.1057  5.761078       8.495294 
1 1 1 -15 16  11 o 71.815  4.3290  629.903    75.081   613.554    104.624  647.261    107.809  70.629  6.1668  72.555  6.1829  -1.925583      8.732544 
1 1 1 -15 16  12 o 148.650 6.3734  2699.24    229.881  2506.69    359.595  2832.31    298.944  142.053 10.507  151.730 8.1498  -9.677551      13.29747 
1 1 1 -15 16  13 o 134.926 6.2017  2223.46    203.033  2063.40    325.650  2325.24    259.683  128.774 10.514  137.495 7.8161  -8.721298      13.10096 
1 1 1 -15 16  14 o 105.952 6.1038  1375.58    156.255  1290.04    266.480  1420.41    192.896  101.456 11.001  107.414 7.4471  -5.958054      13.28469 
1 1 1 -15 16  15 o 136.907 6.2134  2290.64    206.405  2536.41    330.388  2133.32    264.338  143.048 9.5740  131.489 8.3283  11.55904       12.68942 
1 1 1 -15 16  16 o 130.091 4.2505  2060.64    134.170  1984.05    190.129  2136.62    189.363  127.399 6.1506  132.246 5.9013  -4.847198      8.523811 
1 1 1 -15 16  17 o 33.895  6.3351  145.044    50.186   151.329    68.699   137.852    73.491   34.387  8.3232  32.892  8.9636  1.494961       12.23196 
1 1 1 -15 16  18 o 56.356  4.6495  389.847    63.011   377.167    87.982   403.198    90.284   55.072  6.7238  56.981  6.6555  -1.908649      9.460664 
1 1 1 -15 16  19 o 30.022  6.8295  114.991    48.628   153.137    64.811   65.855     73.558   34.581  7.8975  25.350  9.2279  9.230370       12.14600 
1 1 1 -15 16  20 o 11.820  5.6098  -53.2495   43.407   -109.7013  58.452   16.158     64.814   12.214  5.9683  20.043  8.2565  -7.828917      10.18780 
1 1 1 -15 16  21 f 64.329  4.6398  508.122    71.936   449.313    97.000   579.994    107.234  60.048  6.7760  68.370  6.5439  -8.322369      9.420056 
1 1 1 -15 16  22 o 14.306  6.2093  -5.7541    39.985   -6.8987    50.875   -3.9049    64.668   16.138  7.0042  18.481  7.9589  -2.343277      10.60204 
1 1 1 -15 16  23 o 68.049  4.5238  568.941    74.269   573.413    99.897   563.414    111.051  67.965  6.1234  67.158  6.9138  0.8075562      9.235577 
1 1 1 -15 16  24 o 23.389  7.4620  66.957     47.765   105.511    58.117   -13.2885   83.846   28.653  8.0346  20.403  8.9211  8.250368       12.00592 
1 1 1 -15 16  25 o 15.333  6.6064  -2.9320    44.598   -12.6527   53.317   19.715     81.383   16.055  7.0647  22.150  9.1992  -6.094461      11.59892 
1 1 1 -15 16  26 o 32.671  6.8336  137.596    52.430   141.216    69.138   132.696    80.433   32.837  8.5818  31.988  9.5979  0.8497009      12.87508 
1 1 1 -15 16  27 o 105.734 5.8249  1388.85    148.864  1351.24    185.748  1456.39    248.900  103.527 7.4441  106.087 9.7795  -2.559280      12.29043 
1 1 1 -15 16  28 o 101.698 5.8920  1288.05    144.768  1342.43    179.604  1187.21    244.596  103.169 7.2202  94.783  10.830  8.386307       13.01607 
1 1 1 -15 16  29 o 101.368 5.8704  1281.49    143.771  1250.83    177.764  1339.47    244.461  99.339  7.4287  101.032 10.108  -1.692696      12.54399 
1 1 1 -15 16  30 o 59.108  4.8146  434.002    68.451   435.025    92.807   432.782    101.367  58.570  6.6482  58.145  7.3489  0.4248314      9.909842 
1 1 1 -15 16  31 o 78.873  4.7487  770.761    90.456   765.806    125.803  776.065    130.157  77.814  6.7292  78.243  6.9274  -0.4286880     9.657711 
1 1 1 -15 16  32 o 62.774  5.2075  491.814    78.602   507.771    109.243  474.687    113.182  62.976  7.2836  60.598  7.8844  2.377674       10.73378 
1 1 1 -15 16  33 o 38.173  7.8946  192.270    70.708   168.710    91.968   226.328    110.575  35.233  10.183  40.412  10.988  -5.178970      14.98091 
1 1 1 -15 16  34 o 36.216  10.235  179.949    93.925   152.338    181.059  190.115    109.864  36.106  14.166  37.055  11.240  -0.9490776     18.08363 
1 1 1 -15 16  35 o 20.808  8.8633  10.795     78.613   245.797    166.673  -56.4425   89.153   41.141  13.978  18.485  8.5289  22.65692       16.37480 
1 1 1 -15 16  36 o 33.533  8.0313  151.217    64.484   264.933    90.564   34.277     91.839   44.315  8.7331  23.602  9.7848  20.71309       13.11522 
1 1 1 -15 16  37 o 59.733  5.6213  452.456    80.514   465.480    109.944  437.394    118.236  59.446  7.8115  56.995  8.8356  2.450420       11.79355 
1 1 1 -15 16  38 o 54.124  6.0505  375.898    78.100   382.718    105.603  367.663    116.033  53.315  8.4446  51.494  9.6410  1.820786       12.81640 
1 1 1 -15 16  39 o 64.915  5.6782  537.419    88.537   482.494    121.763  599.037    128.969  59.626  8.6702  66.952  8.1039  -7.325935      11.86786 
1 1 1 -15 16  40 o 24.078  8.7707  70.193     66.465   -10.5871   89.646   168.801    99.047   20.350  9.0471  34.090  10.731  -13.73934      14.03602 
1 1 1 -15 16  41 o 37.768  8.1873  196.847    72.866   130.378    103.776  261.483    102.335  30.662  10.988  42.487  10.079  -11.82521      14.91026 
1 1 1 -15 16  42 o 18.935  8.0128  14.890     63.540   100.742    81.402   -118.9932  101.654  27.500  9.7446  17.263  8.2987  10.23653       12.79944 
1 1 1 -15 16  43 o 68.016  9.0456  641.341    145.582  641.341    145.582  0.0000     0.0000   68.016  9.0456  ?       ?       0.000000       9.045600 
1 1 1 -15 16  44 o 54.949  10.101  433.022    129.714  433.022    129.714  0.0000     0.0000   54.949  10.101  ?       ?       0.000000       10.10117 
1 1 1 -15 16  45 o 21.077  8.5958  34.858     69.380   112.073    87.386   -96.8189   114.115  28.684  10.104  19.267  9.1297  9.417858       13.61750 
1 1 1 -15 16  46 f 32.552  9.1811  151.577    75.658   172.602    96.642   118.289    121.599  34.138  10.576  30.047  11.659  4.091463       15.74160 
1 1 1 -15 16  47 o 38.021  11.948  228.604    122.847  357.170    247.978  186.790    141.420  42.574  16.614  34.605  12.765  7.969147       20.95129 
1 1 1 -15 17  1  o 130.579 5.7707  2079.40    182.837  2003.96    237.005  2190.30    287.348  127.708 7.6843  133.244 8.9396  -5.536240      11.78835 
1 1 1 -15 17  2  o 239.679 5.5652  7003.34    323.651  7137.41    454.978  6865.99    460.496  241.409 7.7674  236.701 8.0179  4.707520       11.16328 
1 1 1 -15 17  3  o 25.145  6.4004  80.164     39.149   48.388     55.686   111.218    55.050   22.024  8.0272  29.588  7.6213  -7.564363      11.06888 
1 1 1 -15 17  4  o 162.062 4.5076  3196.66    177.252  3791.92    248.799  2583.13    252.589  176.319 5.8155  145.326 7.1632  30.99292       9.226633 
1 1 1 -15 17  5  o 106.226 3.8092  1372.15    98.182   1171.00    136.548  1587.44    141.272  97.816  5.7789  114.151 5.1005  -16.33496      7.707792 
1 1 1 -15 17  6  o 74.464  3.8797  676.163    69.855   654.691    97.540   698.772    100.089  73.072  5.5426  75.511  5.5006  -2.439049      7.808760 
1 1 1 -15 17  7  o 103.196 3.9757  1295.32    99.550   1224.10    139.516  1369.19    142.090  100.013 5.7737  105.825 5.5530  -5.812500      8.010725 
1 1 1 -15 17  8  o 199.380 4.9803  4842.54    240.937  4900.62    338.911  4783.19    342.591  200.179 6.9775  197.729 7.1407  2.450104       9.983777 
1 1 1 -15 17  9  o 185.935 4.7949  4210.46    216.325  4077.26    304.328  4346.51    307.556  182.602 6.8687  188.566 6.7220  -5.964050      9.610619 
1 1 1 -15 17  10 o 130.718 6.0941  2086.21    193.290  2158.88    312.483  2041.18    245.999  131.963 9.8296  128.786 7.9105  3.176254       12.61737 
1 1 1 -15 17  11 o 108.610 5.9573  1444.28    156.394  1673.38    260.005  1314.40    195.768  116.209 9.2989  103.235 7.8748  12.97369       12.18529 
1 1 1 -15 17  12 o 150.313 6.2796  2760.74    229.032  3145.10    360.551  2500.72    296.549  159.485 9.3581  142.362 8.6257  17.12329       12.72700 
1 1 1 -15 17  13 o 184.589 6.8631  4170.50    307.392  4652.79    473.070  3818.07    404.399  193.731 10.099  175.659 9.5236  18.07268       13.88107 
1 1 1 -15 17  14 o 200.173 5.0339  4885.61    244.499  4897.87    345.205  4873.27    346.344  199.927 7.1161  199.413 7.1580  0.5141907      10.09333 
1 1 1 -15 17  15 o 78.091  4.4171  745.196    83.352   749.483    116.428  740.688    119.381  78.045  6.1993  77.546  6.4019  0.4986115      8.911553 
1 1 1 -15 17  16 o 84.088  5.1643  866.161    104.858  902.535    120.473  752.498    212.965  85.732  5.8260  76.758  11.813  8.973564       13.17185 
1 1 1 -15 17  17 o 83.325  4.1178  845.812    83.255   779.770    117.033  913.476    118.461  79.583  6.1073  86.249  5.6925  -6.666687      8.348877 
1 1 1 -15 17  18 f 128.293 4.3192  2006.83    134.453  2094.90    190.022  1918.54    190.268  130.778 5.9883  124.936 6.2967  5.841667       8.689547 
1 1 1 -15 17  19 o 97.552  4.1426  1160.48    98.055   1134.15    138.994  1186.56    138.350  95.988  5.9978  98.228  5.8309  -2.239258      8.364987 
1 1 1 -15 17  20 f 66.379  4.3927  540.339    70.350   507.476    97.573   575.918    101.525  63.936  6.3745  68.188  6.2041  -4.252506      8.895235 
1 1 1 -15 17  21 o 74.495  4.2523  680.023    76.544   676.343    106.852  683.901    109.703  73.928  6.0088  74.311  6.1392  -0.3827972     8.590377 
1 1 1 -15 17  22 o 64.700  4.5924  514.897    71.627   473.004    95.740   568.154    107.947  61.566  6.5076  67.487  6.6799  -5.920986      9.325749 
1 1 1 -15 17  23 o 60.301  4.7592  448.557    69.068   339.056    93.555   579.733    102.396  51.628  7.7040  68.228  6.2549  -16.59945      9.923514 
1 1 1 -15 17  24 o 100.412 4.2483  1234.86    103.506  1194.25    143.066  1279.47    149.936  98.103  6.0396  101.526 6.1150  -3.423714      8.594729 
1 1 1 -15 17  25 o 76.584  4.4158  721.925    81.709   714.059    111.752  730.962    119.774  75.662  6.1401  76.426  6.5213  -0.7637482     8.957029 
1 1 1 -15 17  26 o 98.030  6.0831  1197.50    143.979  1124.68    170.448  1378.88    269.005  94.342  7.5081  102.292 11.012  -7.949554      13.32775 
1 1 1 -15 17  27 o 21.085  7.9488  43.092     55.429   78.206     62.680   -82.8892   118.723  25.406  8.5723  21.108  9.7754  4.298063       13.00166 
1 1 1 -15 17  28 o 27.237  8.2932  95.585     59.730   53.445     69.238   218.183    118.097  23.367  8.8658  39.909  11.541  -16.54181      14.55331 
1 1 1 -15 17  29 o 50.696  5.1409  321.213    62.364   269.524    83.516   386.364    93.762   45.505  7.8473  54.930  7.2089  -9.424717      10.65589 
1 1 1 -15 17  30 o 47.755  5.8845  288.235    66.742   296.252    91.518   279.127    97.546   47.567  8.2271  45.789  9.1003  1.777367       12.26790 
1 1 1 -15 17  31 o 45.966  6.0254  268.129    65.584   307.171    92.219   228.177    93.288   48.447  8.1332  41.100  9.5385  7.346859       12.53519 
1 1 1 -15 17  32 o 44.501  6.8334  255.083    71.426   265.385    91.314   238.844    114.644  44.650  8.7414  41.414  11.158  3.235996       14.17422 
1 1 1 -15 17  33 o 36.077  10.174  178.632    92.909   292.021    179.232  136.966    108.646  44.437  14.481  32.488  11.277  11.94897       18.35365 
1 1 1 -15 17  34 o 77.701  7.1724  775.772    133.699  625.534    243.137  840.891    160.073  63.164  15.881  80.147  8.3541  -16.98286      17.94423 
1 1 1 -15 17  35 o 45.768  6.4401  270.050    69.540   231.387    98.059   309.167    98.633   40.766  9.9912  47.900  8.8110  -7.134270      13.32128 
1 1 1 -15 17  36 o 49.679  6.3019  317.761    74.256   397.163    106.357  242.248    103.720  54.561  8.2951  41.374  10.356  13.18643       13.26854 
1 1 1 -15 17  37 o 28.765  8.5236  112.447    63.729   21.432     88.133   212.189    92.261   22.210  9.4200  38.781  9.8005  -16.57049      13.59357 
1 1 1 -15 17  38 o 20.482  8.2954  32.053     64.084   -96.8125   88.422   174.633    93.008   16.569  7.9040  34.892  10.286  -18.32307      12.97201 
1 1 1 -15 17  39 f 45.413  6.9875  273.174    74.528   215.596    100.922  342.236    110.529  38.375  10.523  49.261  9.5921  -10.88688      14.23907 
1 1 1 -15 17  40 o 28.008  8.7626  108.319    66.154   187.438    89.958   15.144     97.622   35.920  9.9693  22.416  9.7156  13.50479       13.92048 
1 1 1 -15 17  41 o 20.233  8.2853  30.144     64.785   -24.9962   89.367   91.216     94.052   19.475  8.8139  27.141  10.325  -7.666016      13.57498 
1 1 1 -15 17  42 o 82.072  8.3113  915.605    163.230  915.605    163.230  0.0000     0.0000   82.072  8.3113  ?       ?       0.000000       8.311318 
1 1 1 -15 17  43 o 52.484  9.8605  394.216    120.961  394.216    120.961  0.0000     0.0000   52.484  9.8605  ?       ?       0.000000       9.860472 
1 1 1 -15 17  44 o 25.493  9.0841  83.861     70.834   116.768    87.701   22.110     120.136  29.077  10.129  24.533  10.704  4.543758       14.73722 
1 1 1 -15 17  45 o 30.353  9.3534  131.268    75.699   176.845    96.853   59.718     121.351  34.500  10.571  26.470  11.130  8.029861       15.35054 
1 1 1 -15 17  46 o 31.000  11.223  139.235    108.595  303.440    242.573  98.077     121.445  40.231  16.193  28.504  11.463  11.72618       19.84022 
1 1 1 -15 18  1  o 208.296 5.0290  5285.44    254.171  5305.58    356.829  5264.71    362.135  208.279 7.0608  207.443 7.1946  0.8357544      10.08052 
1 1 1 -15 18  2  o 59.167  5.0367  429.529    71.621   566.833    92.307   221.838    113.528  67.945  5.6503  41.615  11.056  26.33065       12.41581 
1 1 1 -15 18  3  o 137.327 4.1303  2294.34    137.626  2333.20    192.879  2254.05    196.435  138.303 5.7476  135.910 5.9567  2.393158       8.277499 
1 1 1 -15 18  4  o 77.830  3.8716  736.717    73.113   723.206    101.980  751.007    104.876  76.821  5.5076  78.284  5.5574  -1.463081      7.824193 
1 1 1 -15 18  5  o 89.963  3.9988  984.518    87.289   971.424    120.971  998.741    126.077  89.072  5.6262  90.297  5.7848  -1.225136      8.069539 
1 1 1 -15 18  6  o 135.953 4.2590  2249.26    140.494  2156.84    196.638  2345.65    200.805  132.917 6.0971  138.631 5.9697  -5.713745      8.532966 
1 1 1 -15 18  7  o 74.336  4.0847  674.328    73.393   693.488    102.432  654.113    105.210  75.190  5.6559  72.961  5.9960  2.228722       8.242650 
1 1 1 -15 18  8  o 108.991 4.9497  1447.33    130.899  1407.34    247.111  1462.92    154.330  106.421 9.6754  109.332 5.8387  -2.910980      11.30059 
1 1 1 -15 18  9  o 106.428 5.8290  1386.57    149.955  1219.49    237.879  1496.75    193.171  98.889  10.054  110.324 7.2567  -11.43513      12.39910 
1 1 1 -15 18  10 o 85.308  5.8907  892.681    121.187  858.868    198.480  912.779    153.021  82.793  10.089  85.999  7.4054  -3.206360      12.51488 
1 1 1 -15 18  11 f 198.666 7.2111  4835.52    347.606  4662.24    526.450  4969.47    462.847  193.414 11.267  200.678 9.5055  -7.263199      14.74071 
1 1 1 -15 18  12 o 152.690 6.4079  2851.44    237.404  2838.39    372.642  2860.36    308.000  151.080 10.226  152.278 8.3680  -1.197723      13.21303 
1 1 1 -15 18  13 o 156.321 4.5041  2977.09    170.840  2840.25    241.278  3114.68    241.931  152.335 6.5276  159.584 6.2480  -7.248398      9.035844 
1 1 1 -15 18  14 o 73.319  4.3358  657.148    76.793   639.826    106.607  675.830    110.711  72.065  6.1558  74.068  6.2178  -2.002708      8.749552 
1 1 1 -15 18  15 o 80.459  5.2364  793.739    101.672  749.206    116.964  931.433    205.669  77.985  6.2333  86.065  10.037  -8.079773      11.81527 
1 1 1 -15 18  16 o 87.740  4.2064  938.193    89.551   941.625    125.233  934.603    128.105  87.509  5.9330  87.149  6.0965  0.3605347      8.506963 
1 1 1 -15 18  17 o 86.395  4.1680  909.998    87.373   1072.55    124.898  754.211    122.271  93.461  5.5322  78.118  6.5100  15.34328       8.543153 
1 1 1 -15 18  18 o 44.468  5.3322  245.418    56.385   246.364    79.651   244.467    79.831   44.038  7.7366  43.853  7.7879  0.1848755      10.97752 
1 1 1 -15 18  19 o 61.949  4.5028  471.325    67.220   487.727    94.758   454.710    95.372   62.662  6.3186  60.414  6.6141  2.247536       9.147169 
1 1 1 -15 18  20 o 94.474  4.1101  1090.03    94.216   1093.55    133.479  1086.54    133.006  94.127  5.8737  93.824  5.8720  0.3030396      8.305429 
1 1 1 -15 18  21 o 99.906  4.1646  1220.17    100.956  1179.48    143.076  1260.51    142.473  97.633  6.0696  101.015 5.8376  -3.382507      8.421317 
1 1 1 -15 18  22 o 33.246  6.7066  141.711    52.235   75.590     68.837   231.469    80.203   25.699  8.9729  42.355  8.0993  -16.65621      12.08769 
1 1 1 -15 18  23 o 11.676  5.5486  -52.5360   42.746   -5.2988    56.029   -118.3196  66.120   17.003  7.3651  13.094  6.3869  3.909732       9.748737 
1 1 1 -15 18  24 o 51.885  4.9881  334.360    62.023   355.759    83.433   307.928    92.730   53.083  6.6216  48.856  8.1065  4.227497       10.46716 
1 1 1 -15 18  25 f 63.986  6.6082  515.750    101.120  439.858    114.431  786.198    216.018  58.412  8.3079  76.292  12.071  -17.88010      14.65361 
1 1 1 -15 18  26 o 84.031  6.0188  882.617    121.906  849.124    142.550  973.788    235.191  81.875  7.2505  85.025  11.711  -3.149445      13.77370 
1 1 1 -15 18  27 o 79.221  5.9960  785.990    114.402  783.016    134.848  793.626    216.102  78.558  7.1528  76.176  12.096  2.381973       14.05261 
1 1 1 -15 18  28 o 114.801 4.3296  1622.55    120.601  1629.72    171.247  1615.48    169.872  114.024 6.2130  113.538 6.1896  0.4868317      8.769994 
1 1 1 -15 18  29 o 88.575  4.5334  970.235    97.106   1050.42    137.351  890.106    137.306  91.417  6.2293  83.834  6.8088  7.582489       9.228465 
1 1 1 -15 18  30 o 113.218 4.4449  1581.26    122.108  1415.44    172.581  1747.49    172.792  105.787 6.7588  118.050 6.0528  -12.26289      9.072915 
1 1 1 -15 18  31 o 96.225  4.9200  1150.44    114.488  1088.35    149.383  1238.82    178.230  92.667  6.6887  98.346  7.5261  -5.678757      10.06882 
1 1 1 -15 18  32 o 46.333  8.9735  287.903    97.237   509.958    197.771  217.111    111.666  58.595  14.085  39.370  11.171  19.22509       17.97711 
1 1 1 -15 18  33 f 40.465  9.7406  225.464    94.487   282.194    193.268  207.646    108.314  43.351  15.041  38.417  11.036  4.934387       18.65538 
1 1 1 -15 18  34 o 21.348  8.2640  43.091     60.977   47.697     89.506   39.102     83.298   24.281  9.8143  23.125  9.4236  1.155512       13.60602 
1 1 1 -15 18  35 o 42.320  6.7189  233.729    66.688   210.878    95.017   255.913    93.621   38.694  10.035  43.107  9.2293  -4.412666      13.63417 
1 1 1 -15 18  36 o 49.782  6.3619  320.752    75.088   393.875    107.414  250.867    105.009  54.036  8.4709  41.875  10.386  12.16114       13.40216 
1 1 1 -15 18  37 o 54.307  5.8382  378.603    75.724   450.354    106.273  304.605    107.924  58.156  7.7221  46.361  9.8954  11.79541       12.55188 
1 1 1 -15 18  38 o 51.887  6.1429  349.156    75.838   426.782    105.347  265.655    109.261  56.300  7.9315  42.557  10.616  13.74297       13.25188 
1 1 1 -15 18  39 o 24.658  8.8247  76.941     66.916   75.462     92.307   78.579     97.145   25.883  10.126  26.379  10.368  -0.4964886     14.49287 
1 1 1 -15 18  40 o 16.728  7.4422  -11.5968   60.771   16.749     82.602   -45.0411   89.724   21.039  9.0265  18.571  8.5644  2.467852       12.44293 
1 1 1 -15 18  41 o 43.658  9.7963  275.839    101.223  275.839    101.223  0.0000     0.0000   43.658  9.7963  ?       ?       0.000000       9.796279 
1 1 1 -15 18  42 o 35.379  11.502  190.093    113.104  190.093    113.104  0.0000     0.0000   35.379  11.502  ?       ?       0.000000       11.50201 
1 1 1 -15 18  43 o 45.764  9.6305  300.372    103.553  323.651    113.177  180.693    256.617  47.122  10.195  36.253  15.733  10.86949       18.74695 
1 1 1 -15 18  44 o 23.674  9.0538  64.142     72.567   29.429     93.811   115.862    114.508  22.772  9.6905  29.581  11.359  -6.809311      14.93065 
1 1 1 -15 18  45 o 36.111  8.9792  187.374    78.343   110.547    100.461  306.608    125.153  28.593  10.716  44.406  11.518  -15.81278      15.73218 
1 1 1 -15 18  46 o 20.668  9.4167  -24.3832   104.157  -31.4511   265.164  -23.0937   113.260  29.526  13.969  21.520  9.8107  8.005672       17.07018 
1 1 1 -15 19  1  o 180.966 4.6604  3987.79    204.636  4011.85    286.973  3962.89    291.889  181.191 6.5274  180.051 6.6813  1.139954       9.340558 
1 1 1 -15 19  2  o 97.970  3.8407  1167.39    91.298   1183.38    127.454  1150.53    130.843  98.378  5.3596  96.966  5.5848  1.411987       7.740517 
1 1 1 -15 19  3  o 87.216  3.9531  925.339    83.657   936.627    116.326  913.248    120.397  87.466  5.5094  86.322  5.7816  1.143158       7.986224 
1 1 1 -15 19  4  o 154.383 4.4230  2901.42    165.684  2727.08    232.257  3082.07    236.424  149.394 6.4072  158.868 6.1333  -9.473343      8.869586 
1 1 1 -15 19  5  o 70.862  4.1252  613.089    70.622   673.043    98.683   550.149    101.111  74.080  5.5299  66.814  6.3116  7.265526       8.391443 
1 1 1 -15 19  6  o 73.653  4.1346  662.221    73.592   741.172    101.166  573.487    107.251  77.775  5.3941  68.183  6.5639  9.591957       8.495963 
1 1 1 -15 19  7  o 97.445  5.8429  1163.27    137.512  1055.89    216.800  1235.54    177.871  91.978  9.8685  100.157 7.3709  -8.179176      12.31734 
1 1 1 -15 19  8  o 39.257  8.3802  196.468    77.395   32.555     135.077  276.580    94.433   28.773  11.893  46.704  8.6517  -17.93053      14.70669 
1 1 1 -15 19  9  o 125.758 6.0046  1932.03    183.225  1614.76    285.502  2154.21    238.916  113.725 10.464  132.339 7.4709  -18.61385      12.85705 
1 1 1 -15 19  10 o 161.023 6.4304  3171.62    251.242  3251.76    385.303  3112.33    331.383  161.872 9.8569  158.766 8.6346  3.105270       13.10404 
1 1 1 -15 19  11 o 105.836 4.5673  1364.84    117.289  1294.36    148.060  1483.60    192.185  102.741 5.9649  109.751 7.2578  -7.009941      9.394430 
1 1 1 -15 19  12 o 167.776 4.6187  3430.97    188.024  3446.38    266.108  3415.61    265.705  167.761 6.5374  167.006 6.5570  0.7552185      9.259116 
1 1 1 -15 19  13 o 88.844  4.2174  961.565    90.915   914.178    128.268  1009.41    128.882  86.209  6.1728  90.663  5.8906  -4.453522      8.532447 
1 1 1 -15 19  14 o 11.194  5.3187  -49.2021   39.244   -35.9158   41.325   -171.2656  125.258  12.390  5.7485  19.421  9.3030  -7.030334      10.93577 
1 1 1 -15 19  15 o 68.264  4.5160  570.925    74.378   585.290    101.746  554.439    109.002  68.837  6.1566  66.848  6.8155  1.989754       9.184511 
1 1 1 -15 19  16 o 73.480  4.4028  661.191    78.137   651.820    109.956  670.750    111.056  72.602  6.3043  73.663  6.2731  -1.060982      8.893601 
1 1 1 -15 19  17 o 228.003 5.4949  6370.34    303.996  6315.03    429.447  6425.89    430.385  225.851 7.8365  227.855 7.7846  -2.003922      11.04586 
1 1 1 -15 19  18 o 97.924  4.1387  1170.75    98.336   1182.86    139.509  1158.78    138.632  97.941  5.8980  96.929  5.9229  1.012283       8.358680 
1 1 1 -15 19  19 o 88.462  4.1973  956.321    90.094   932.333    127.464  980.270    127.361  86.797  6.0908  89.056  5.9279  -2.258881      8.499296 
1 1 1 -15 19  20 o 70.661  4.4028  613.444    75.111   635.332    104.878  590.396    107.622  71.509  6.1029  68.799  6.5250  2.710007       8.934291 
1 1 1 -15 19  21 o 47.189  5.0610  276.694    57.044   205.937    78.699   355.020    82.801   39.792  8.4141  53.140  6.5611  -13.34816      10.66977 
1 1 1 -15 19  22 o 54.585  4.7824  368.822    62.702   333.074    89.534   403.228    87.838   51.124  7.4356  56.633  6.5105  -5.509171      9.883058 
1 1 1 -15 19  23 o 55.168  4.9779  377.782    65.916   261.322    90.223   511.107    96.535   44.725  8.6265  63.837  6.3151  -19.11208      10.69102 
1 1 1 -15 19  24 o 80.346  6.1326  807.237    118.654  714.198    136.568  1093.74    239.652  74.940  7.6164  90.756  11.115  -15.81575      13.47429 
1 1 1 -15 19  25 o 67.590  6.5049  575.919    105.365  529.269    119.530  738.478    223.132  64.232  7.8316  72.888  13.098  -8.656036      15.26088 
1 1 1 -15 19  26 o 53.394  7.0523  364.507    89.132   312.034    98.456   602.843    209.830  48.724  8.6445  65.059  13.724  -16.33567      16.21948 
1 1 1 -15 19  27 o 99.412  4.3660  1217.43    105.313  1114.28    145.139  1332.12    153.046  94.099  6.3947  103.058 6.1484  -8.958839      8.870993 
1 1 1 -15 19  28 o 16.344  7.1078  -5.2390    52.603   -5.2021    80.500   -5.2666    69.492   20.154  8.7787  18.760  8.1643  1.393328       11.98836 
1 1 1 -15 19  29 f 25.835  8.0886  85.702     56.357   180.672    79.855   -8.5351    79.546   36.627  9.0403  19.817  8.6765  16.81005       12.53029 
1 1 1 -15 19  30 f 49.053  6.1053  305.966    71.095   328.932    95.516   277.438    106.457  50.047  8.1458  45.061  9.9980  4.986069       12.89632 
1 1 1 -15 19  31 o 42.461  9.2754  244.562    92.889   574.871    214.640  168.445    103.037  61.843  14.547  35.018  10.933  26.82514       18.19752 
1 1 1 -15 19  32 o 52.146  8.4317  361.121    103.043  378.922    214.100  355.755    117.553  48.909  15.819  50.979  9.8599  -2.070408      18.64012 
1 1 1 -15 19  33 o 56.163  5.5208  399.222    74.263   357.455    103.745  443.112    106.350  51.654  8.5784  58.099  7.7363  -6.444839      11.55161 
1 1 1 -15 19  34 o 20.824  8.1063  40.494     58.925   95.450     85.705   -8.7727    81.147   27.665  9.9775  19.717  8.6940  7.948168       13.23390 
1 1 1 -15 19  35 o 48.125  6.3333  300.099    72.158   353.089    107.536  256.697    97.321   50.707  9.0733  42.769  9.6122  7.938625       13.21813 
1 1 1 -15 19  36 o 104.080 4.8204  1357.94    121.735  1312.96    173.747  1401.32    170.613  100.181 7.1957  103.905 6.8048  -3.724335      9.903718 
1 1 1 -15 19  37 o 38.940  7.3882  204.436    67.253   285.154    97.118   130.062    93.223   45.050  9.1958  30.488  10.453  14.56238       13.92258 
1 1 1 -15 19  38 o 47.920  6.6238  302.799    74.958   272.566    109.468  329.490    102.854  42.906  10.581  48.431  9.0864  -5.524422      13.94720 
1 1 1 -15 19  39 o 54.477  6.2742  387.940    81.419   350.509    110.527  432.348    120.390  49.542  9.5407  55.346  9.2943  -5.803822      13.31951 
1 1 1 -15 19  40 o 29.335  9.1996  121.796    72.868   48.341     93.899   233.001    115.535  23.957  9.9099  38.870  11.466  -14.91271      15.15481 
1 1 1 -15 19  41 o 34.588  11.090  180.274    105.404  180.274    105.404  0.0000     0.0000   34.588  11.090  ?       ?       0.000000       11.09015 
1 1 1 -15 19  42 o 18.164  8.2239  -24.3039   77.892   81.389     83.878   -686.5186  209.953  25.792  9.7648  ?       ?       0.000000       9.764768 
1 1 1 -15 19  43 o 19.314  8.2038  15.940     67.006   35.009     83.616   -18.2803   112.012  22.244  9.2886  21.880  9.8881  0.3639030      13.56657 
1 1 1 -15 19  44 o 18.585  8.1363  1.0437     69.933   -35.8629   90.759   54.979     109.717  18.963  8.6965  25.271  10.602  -6.308027      13.71281 
1 1 1 -15 19  45 o 72.250  9.5254  752.948    162.916  494.565    333.794  833.745    186.658  44.394  18.550  74.734  10.590  -30.34063      21.35991 
1 1 1 -15 20  1  o 99.800  3.9744  1211.78    96.243   1218.81    134.182  1204.33    138.121  99.801  5.5632  99.174  5.7647  0.6273270      8.011313 
1 1 1 -15 20  2  o 65.883  4.1693  530.358    66.307   538.800    92.105   521.276    95.534   66.192  5.7930  65.046  6.1251  1.146072       8.430688 
1 1 1 -15 20  3  o 160.160 4.4261  3123.18    172.004  3087.51    241.273  3160.05    245.277  158.960 6.2554  160.811 6.2860  -1.850922      8.868190 
1 1 1 -15 20  4  o 154.252 4.3678  2896.89    163.477  2815.98    229.241  2980.61    233.194  151.807 6.2235  156.195 6.1530  -4.387146      8.751638 
1 1 1 -15 20  5  o 190.758 6.8662  4453.94    317.805  4588.45    475.278  4345.17    427.412  192.333 10.221  187.697 9.3848  4.636703       13.87597 
1 1 1 -15 20  6  f 150.179 6.2111  2756.56    226.331  2788.55    344.284  2732.21    300.354  150.021 9.5072  148.847 8.3500  1.174393       12.65341 
1 1 1 -15 20  7  o 213.909 7.4328  5611.89    385.784  5490.14    573.085  5712.78    521.691  209.815 11.299  214.883 10.006  -5.067261      15.09207 
1 1 1 -15 20  8  o 138.852 6.0397  2356.46    203.486  2818.47    315.645  2027.90    266.182  151.035 8.6490  128.045 8.6176  22.99048       12.20935 
1 1 1 -15 20  9  o 109.256 5.9116  1463.05    156.134  1236.93    247.537  1612.45    201.207  99.331  10.426  114.421 7.2852  -15.09057      12.71910 
1 1 1 -15 20  10 o 85.859  4.1498  897.746    86.453   904.358    120.279  890.680    124.347  85.826  5.8099  85.128  6.0596  0.6981812      8.394908 
1 1 1 -15 20  11 o 24.200  7.3789  72.230     47.261   66.942     64.838   78.224     69.033   24.755  8.7048  26.237  8.9956  -1.482323      12.51770 
1 1 1 -15 20  12 o 210.485 6.0693  5424.12    309.974  5498.23    371.933  5255.59    560.888  211.511 7.2472  204.610 11.342  6.901138       13.45962 
1 1 1 -15 20  13 o 56.646  5.5994  396.271    75.954   386.765    87.018   426.682    155.646  55.773  6.5552  57.339  11.586  -1.565632      13.31187 
1 1 1 -15 20  14 o 83.811  4.2258  858.771    85.659   878.953    119.381  837.354    122.979  84.499  5.8589  82.393  6.1968  2.105240       8.527976 
1 1 1 -15 20  15 o 93.408  4.2401  1064.65    96.101   1120.72    134.140  1005.53    137.745  95.422  5.8214  90.246  6.3305  5.175812       8.600246 
1 1 1 -15 20  16 o 82.325  4.2611  829.723    84.827   853.283    119.621  805.892    120.308  83.134  5.9699  80.728  6.1891  2.406197       8.599139 
1 1 1 -15 20  17 o 13.336  6.0520  -24.4640   42.483   -47.4036   57.177   3.8066     63.474   14.620  6.7754  18.847  7.9939  -4.226371      10.47897 
1 1 1 -15 20  18 o 53.935  4.7986  359.197    62.143   275.954    86.785   446.788    89.024   46.446  7.9889  59.876  6.2183  -13.43037      10.12370 
1 1 1 -15 20  19 o 47.888  5.0226  284.575    57.491   194.649    80.858   376.517    81.759   38.609  8.8238  54.858  6.2542  -16.24820      10.81545 
1 1 1 -15 20  20 o 138.605 4.4124  2355.00    148.396  2283.63    210.550  2425.46    209.185  135.722 6.3935  139.981 6.1588  -4.258972      8.877402 
1 1 1 -15 20  21 o 59.546  4.6305  438.111    66.377   460.362    93.583   415.584    94.161   60.542  6.4708  57.353  6.9051  3.188660       9.463182 
1 1 1 -15 20  22 o 18.353  7.1162  28.002     45.273   44.328     61.022   8.0145     67.520   21.811  8.3116  19.541  8.2641  2.269865       11.72087 
1 1 1 -15 20  23 f 51.562  7.2388  339.997    88.070   311.607    98.509   453.062    196.586  48.812  8.6331  56.188  14.364  -7.376045      16.75877 
1 1 1 -15 20  24 o 62.641  6.4264  495.308    96.293   529.108    107.601  359.390    215.775  64.542  6.9821  49.411  15.870  15.13118       17.33812 
1 1 1 -15 20  25 o 36.194  8.8335  174.959    76.896   142.243    83.670   352.796    195.077  32.692  9.7847  48.970  15.003  -16.27850      17.91141 
1 1 1 -15 20  26 o 60.075  5.2791  451.146    76.171   457.686    111.563  445.435    104.251  59.451  7.9317  58.845  7.4697  0.6059113      10.89529 
1 1 1 -15 20  27 o 47.907  6.4193  292.789    72.742   318.721    108.749  271.792    97.856   48.701  9.5442  45.006  9.2696  3.695061       13.30482 
1 1 1 -15 20  28 o 86.043  4.7071  918.484    97.900   1065.76    138.302  770.572    138.602  91.956  6.2353  77.491  7.4638  14.46531       9.725640 
1 1 1 -15 20  29 o 87.519  5.0017  953.896    105.774  1012.67    136.836  866.645    166.729  89.493  6.3427  81.411  8.5691  8.081650       10.66107 
1 1 1 -15 20  30 o 56.565  7.9547  418.900    106.161  219.982    213.854  483.950    122.294  40.230  15.503  60.528  8.5661  -20.29769      17.71248 
1 1 1 -15 20  31 o 51.179  8.1820  346.909    98.182   33.790     210.885  433.563    110.939  31.863  14.034  57.305  8.2136  -25.44197      16.26106 
1 1 1 -15 20  32 o 53.049  5.7876  358.269    73.289   368.332    105.126  348.754    102.227  52.417  8.5612  50.974  8.5693  1.443218       12.11305 
1 1 1 -15 20  33 o 27.958  8.4354  105.306    62.001   110.071    89.354   100.882    86.103   29.060  10.219  28.129  10.016  0.9302063      14.30899 
1 1 1 -15 20  34 o 47.501  6.5490  293.997    73.476   303.752    107.551  285.459    100.616  46.424  9.8529  45.197  9.4775  1.226620       13.67124 
1 1 1 -15 20  35 o 48.767  6.4611  310.313    74.571   299.036    110.175  319.846    101.301  45.618  10.208  48.022  9.0252  -2.403301      13.62598 
1 1 1 -15 20  36 o 15.035  6.7675  -18.2384   51.857   -158.6375  80.118   82.988     68.029   13.585  6.7066  25.349  8.9162  -11.76405      11.15697 
1 1 1 -15 20  37 o 16.275  7.2447  -11.9009   57.673   -47.3843   84.817   18.614     78.656   17.903  8.2809  20.765  8.8559  -2.862719      12.12438 
1 1 1 -15 20  38 f 79.686  5.2874  810.573    101.652  824.985    144.803  796.570    142.734  78.261  7.7264  76.860  7.7598  1.400772       10.95043 
1 1 1 -15 20  39 o 58.734  6.4835  453.457    90.859   417.724    121.119  499.444    137.403  54.023  9.5912  58.803  9.9874  -4.780109      13.84702 
1 1 1 -15 20  40 o 36.794  11.092  206.699    107.239  206.699    107.239  0.0000     0.0000   36.794  11.092  ?       ?       0.000000       11.09209 
1 1 1 -15 20  41 o 28.475  10.568  108.655    97.216   111.876    107.709  94.499     225.805  29.046  11.049  32.333  14.367  -3.287775      18.12440 
1 1 1 -15 20  42 o 26.538  9.1442  95.667     71.376   6.7684     92.963   223.325    111.401  21.341  9.3610  38.068  11.267  -16.72610      14.64828 
1 1 1 -15 20  43 o 27.284  9.3701  103.406    74.916   86.226     97.622   128.019    116.846  26.597  10.412  30.201  11.503  -3.604036      15.51529 
1 1 1 -15 20  44 o 28.417  11.421  103.602    120.455  -37.6364   270.152  138.650    134.573  29.465  13.987  30.934  12.189  -1.468639      18.55273 
1 1 1 -15 21  1  o 72.490  4.0661  641.535    71.230   644.043    99.544   638.903    101.967  72.413  5.7118  72.095  5.8801  0.3176804      8.197626 
1 1 1 -15 21  2  o 111.594 4.0064  1515.53    108.481  1540.29    152.034  1489.84    154.835  112.338 5.5776  110.306 5.8055  2.032219       8.050659 
1 1 1 -15 21  3  o 187.562 6.7943  4306.76    309.210  4397.74    463.185  4233.61    415.302  188.223 10.180  185.255 9.2391  2.967941       13.74724 
1 1 1 -15 21  4  o 129.019 5.9187  2033.67    185.286  2013.81    289.140  2047.50    241.355  127.379 9.4219  128.912 7.7521  -1.532906      12.20113 
1 1 1 -15 21  5  o 122.688 5.9035  1839.20    175.741  1750.11    271.816  1903.19    230.365  118.648 9.5219  124.271 7.6774  -5.623444      12.23149 
1 1 1 -15 21  6  o 230.211 7.8448  6512.97    438.199  6126.17    646.034  6842.57    596.357  221.035 12.092  234.794 10.468  -13.75983      15.99311 
1 1 1 -15 21  7  o 90.040  5.8984  995.157    128.152  693.597    207.488  1181.14    162.947  73.595  12.035  97.928  6.9018  -24.33277      13.87390 
1 1 1 -15 21  8  o 83.082  4.0928  840.606    82.508   761.343    114.706  925.584    118.769  78.665  6.0561  86.850  5.6670  -8.184769      8.294072 
1 1 1 -15 21  9  o 156.530 4.4581  2986.57    169.323  2852.98    237.423  3124.84    241.548  152.607 6.4119  159.756 6.2314  -7.148499      8.941016 
1 1 1 -15 21  10 o 129.619 4.2323  2047.47    133.111  1915.33    186.540  2184.56    190.002  125.057 6.1475  133.615 5.8606  -8.557854      8.493402 
1 1 1 -15 21  11 o 110.001 4.1070  1474.62    109.618  1389.77    153.469  1562.99    156.626  106.362 5.9708  112.867 5.7381  -6.505035      8.281086 
1 1 1 -15 21  12 o 111.683 4.9518  1523.92    134.187  1587.54    157.656  1356.69    255.620  113.714 5.7323  103.714 10.294  9.999733       11.78212 
1 1 1 -15 21  13 o 87.367  4.1247  931.007    87.439   981.751    123.079  879.299    124.243  89.322  5.7087  84.426  6.1062  4.896240       8.359149 
1 1 1 -15 21  14 o 128.123 4.2273  2003.83    131.418  1949.48    184.272  2060.10    187.476  125.974 6.0286  129.515 5.9657  -3.541389      8.481324 
1 1 1 -15 21  15 o 39.300  5.8233  193.737    53.849   160.058    72.995   233.949    79.762   35.148  8.6239  42.751  7.9829  -7.602970      11.75156 
1 1 1 -15 21  16 o 111.114 4.2461  1509.24    114.478  1463.79    161.949  1554.64    161.843  108.812 6.1592  112.211 5.9656  -3.399551      8.574667 
1 1 1 -15 21  17 o 30.118  7.0823  116.980    50.886   96.326     68.575   142.289    75.911   27.893  8.9454  33.087  9.1488  -5.193598      12.79533 
1 1 1 -15 21  18 o 110.829 4.2859  1504.19    115.255  1426.56    161.856  1584.05    164.159  107.200 6.2497  113.077 6.0046  -5.877449      8.666822 
1 1 1 -15 21  19 o 96.517  4.2317  1141.56    99.102   1065.21    141.070  1215.95    139.252  92.465  6.3257  99.012  5.8219  -6.546303      8.597034 
1 1 1 -15 21  20 f 57.255  4.7796  405.973    65.794   499.729    91.628   306.181    94.532   63.203  6.0487  48.616  8.3124  14.58707       10.28026 
1 1 1 -15 21  21 f 115.881 5.9577  1671.90    166.949  1685.41    209.799  1648.57    275.666  115.477 7.5288  112.339 10.225  3.137970       12.69785 
1 1 1 -15 21  22 o 122.276 5.9615  1860.47    176.873  1792.83    222.911  1975.45    290.617  118.774 7.7777  123.085 9.8124  -4.311005      12.52099 
1 1 1 -15 21  23 o 65.162  6.0277  533.671    94.223   502.842    112.547  605.908    172.280  62.621  7.5601  66.986  10.980  -4.364525      13.33109 
1 1 1 -15 21  24 o 41.431  8.3725  226.921    81.271   201.130    88.987   356.591    199.533  38.585  9.5551  49.021  15.199  -10.43609      17.95282 
1 1 1 -15 21  25 o 43.297  6.9459  241.917    70.505   322.594    105.404  176.590    94.848   49.186  9.1691  36.003  10.323  13.18320       13.80708 
1 1 1 -15 21  26 o 69.663  5.1008  605.261    85.621   676.407    119.534  530.296    122.700  72.899  6.8377  63.873  8.0990  9.025703       10.59943 
1 1 1 -15 21  27 o 63.878  5.3160  511.060    81.646   531.039    115.659  491.215    115.271  64.119  7.5807  61.476  7.9113  2.643013       10.95701 
1 1 1 -15 21  28 o 77.067  7.0116  759.882    129.679  899.531    248.813  707.800    151.949  78.909  13.479  73.353  8.7072  5.555763       16.04699 
1 1 1 -15 21  29 o 34.562  9.7068  163.927    84.756   47.468     200.831  189.164    93.490   31.968  13.896  36.947  10.127  -4.979265      17.19429 
1 1 1 -15 21  30 o 96.825  6.7386  1198.69    157.328  1209.11    294.792  1194.55    186.038  90.338  13.894  95.591  8.0970  -5.253052      16.08110 
1 1 1 -15 21  31 o 55.944  5.5187  396.739    73.936   442.245    107.401  355.747    101.936  57.894  7.8479  51.512  8.4485  6.381760       11.53115 
1 1 1 -15 21  32 o 32.007  8.0169  139.384    62.127   209.020    92.671   82.538     83.729   38.463  9.8782  26.379  9.8037  12.08327       13.91729 
1 1 1 -15 21  33 o 46.830  6.2847  284.685    69.610   259.163    100.921  307.845    96.138   42.693  9.9298  47.422  8.6749  -4.728733      13.18538 
1 1 1 -15 21  34 o 80.914  4.9547  826.110    96.808   780.413    137.693  870.778    136.134  76.784  7.4857  81.605  6.9411  -4.820724      10.20857 
1 1 1 -15 21  35 o 48.627  6.5324  310.659    75.125   283.122    110.051  334.689    102.805  43.890  10.479  48.941  8.9885  -5.050350      13.80567 
1 1 1 -15 21  36 o 66.973  5.5089  575.480    88.729   476.973    128.126  666.254    122.995  58.052  9.4189  70.720  7.2712  -12.66859      11.89905 
1 1 1 -15 21  37 o 39.345  8.0650  214.912    74.409   253.703    106.907  178.462    103.630  41.048  10.644  34.340  10.995  6.708344       15.30325 
1 1 1 -15 21  38 o 72.510  5.6439  677.662    98.517   488.897    130.787  925.248    149.785  58.470  9.5482  82.978  7.5211  -24.50800      12.15468 
1 1 1 -15 21  39 o 30.070  10.802  128.830    100.347  128.830    100.347  0.0000     0.0000   30.070  10.802  ?       ?       0.000000       10.80175 
1 1 1 -15 21  40 o 40.968  11.489  260.765    118.830  260.765    118.830  0.0000     0.0000   40.968  11.489  ?       ?       0.000000       11.48914 
1 1 1 -15 21  41 o 44.842  7.6128  274.502    79.869   210.815    104.753  362.931    123.436  37.143  10.907  49.294  10.633  -12.15081      15.23174 
1 1 1 -15 21  42 o 63.431  6.0632  525.725    92.181   506.184    121.256  552.483    141.891  60.228  8.5363  61.746  9.7979  -1.518238      12.99491 
1 1 1 -15 21  43 o 38.533  12.424  247.817    132.152  -499.3445  295.843  434.069    147.708  23.697  11.885  52.097  11.940  -28.39971      16.84700 
1 1 1 -15 22  1  o 192.376 6.8461  4533.58    319.567  4863.25    476.155  4263.38    431.072  198.209 9.9006  185.456 9.6125  12.75276       13.79938 
1 1 1 -15 22  2  o 189.033 6.7825  4377.27    311.096  4710.69    465.149  4107.42    418.459  194.823 9.8721  182.039 9.5068  12.78355       13.70538 
1 1 1 -15 22  3  o 117.765 5.8052  1694.74    165.880  1799.10    261.252  1624.25    214.716  120.411 9.0071  114.715 7.7597  5.696541       11.88868 
1 1 1 -15 22  4  o 101.462 5.7197  1261.85    140.239  1322.55    228.054  1224.94    177.839  103.062 9.2169  99.617  7.4106  3.445389       11.82652 
1 1 1 -15 22  5  o 83.559  5.8557  857.727    117.973  682.129    191.570  965.004    149.733  73.202  11.137  88.421  7.0373  -15.21858      13.17375 
1 1 1 -15 22  6  o 124.205 4.1844  1879.28    126.107  1961.79    176.960  1794.13    179.757  126.671 5.7575  120.920 6.1469  5.750557       8.422174 
1 1 1 -15 22  7  o 180.280 4.7787  3965.02    209.034  3849.68    293.126  4084.39    298.177  177.129 6.8203  182.474 6.7345  -5.345428      9.584890 
1 1 1 -15 22  8  o 139.789 4.3155  2382.05    146.376  2364.39    205.048  2400.41    209.024  138.945 6.0820  139.983 6.1540  -1.038681      8.652317 
1 1 1 -15 22  9  o 78.568  4.1790  754.556    79.382   808.616    109.830  695.425    114.865  81.104  5.6156  75.037  6.3690  6.067001       8.491062 
1 1 1 -15 22  10 f 58.690  4.4492  422.673    62.889   400.701    85.945   447.996    92.268   56.798  6.3447  60.077  6.4294  -3.278866      9.032844 
1 1 1 -15 22  11 o 96.416  4.0580  1133.65    94.935   1084.56    132.974  1184.68    135.580  93.864  5.8680  98.152  5.7177  -4.287338      8.192990 
1 1 1 -15 22  12 o 54.758  4.6834  369.126    61.627   363.093    85.853   375.539    88.517   53.896  6.7103  54.804  6.8029  -0.9075890     9.555452 
1 1 1 -15 22  13 o 45.007  5.0898  251.208    54.607   198.186    76.128   307.402    78.372   39.220  8.2606  49.496  6.6978  -10.27591      10.63470 
1 1 1 -15 22  14 o 71.000  4.2400  618.244    72.711   555.195    99.863   689.380    106.075  66.842  6.2291  74.625  5.9065  -7.783142      8.584167 
1 1 1 -15 22  15 o 76.303  4.2815  714.377    78.948   731.467    109.370  695.786    114.076  76.827  5.9125  74.799  6.3453  2.027794       8.672929 
1 1 1 -15 22  16 o 92.132  4.1698  1038.69    93.217   1009.93    128.776  1070.33    135.108  90.276  5.9115  92.910  6.0257  -2.633469      8.441279 
1 1 1 -15 22  17 o 78.499  4.3425  757.495    82.390   698.804    115.471  818.362    117.592  74.802  6.4244  81.126  6.0167  -6.323341      8.801900 
1 1 1 -15 22  18 o 82.200  4.3692  831.323    86.831   845.263    120.673  816.357    125.039  82.357  6.0817  80.804  6.4307  1.553497       8.851058 
1 1 1 -15 22  19 o 121.828 4.3727  1822.95    129.260  1831.43    183.450  1814.60    182.158  121.187 6.2601  120.635 6.2445  0.5514450      8.842148 
1 1 1 -15 22  20 o 138.481 6.2699  2390.71    210.676  2433.93    269.041  2322.21    338.738  138.329 8.0505  132.898 10.593  5.430344       13.30468 
1 1 1 -15 22  21 o 40.826  7.4687  216.481    71.258   279.175    82.643   34.790     140.689  46.447  7.5957  28.203  11.928  18.24386       14.14143 
1 1 1 -15 22  22 o 41.930  7.3755  228.262    72.298   237.283    84.129   202.781    141.387  42.368  8.4795  38.586  12.875  3.782478       15.41678 
1 1 1 -15 22  23 o 29.437  7.0938  113.740    50.072   118.258    66.725   107.916    75.756   29.900  8.6833  28.954  9.4133  0.9462242      12.80665 
1 1 1 -15 22  24 o 36.117  7.7012  172.097    65.428   193.043    99.223   155.983    87.029   37.487  10.494  33.958  9.9326  3.529373       14.44896 
1 1 1 -15 22  25 o 29.838  8.3464  118.393    62.796   109.709    93.805   125.445    84.531   29.715  10.468  30.858  9.9355  -1.142441      14.43244 
1 1 1 -15 22  26 o 13.127  6.2310  -61.6982   53.597   -104.0947  85.339   -34.0811   68.876   16.164  7.7258  16.912  7.6868  -0.7473736     10.89841 
1 1 1 -15 22  27 o 71.911  7.2120  665.213    124.144  984.862    261.716  572.409    141.018  82.360  13.569  65.575  9.1088  16.78523       16.34273 
1 1 1 -15 22  28 o 71.401  7.1373  656.970    121.996  882.698    249.788  586.260    139.804  77.323  13.821  66.361  8.9073  10.96169       16.44262 
1 1 1 -15 22  29 o 81.928  6.9130  863.193    136.140  1404.47    269.731  678.168    157.701  100.280 11.281  70.890  9.4001  29.39038       14.68431 
1 1 1 -15 22  30 f 20.848  8.0016  42.832     56.807   104.748    85.200   -6.7214    76.221   28.487  9.9806  19.261  8.4616  9.225954       13.08477 
1 1 1 -15 22  31 o 11.279  5.5127  -89.2019   49.984   -80.6952   78.224   -95.0720   64.980   15.893  7.5390  13.481  6.5180  2.411996       9.965969 
1 1 1 -15 22  32 o 39.291  7.0264  205.212    64.528   243.555    92.204   168.406    90.339   41.626  9.3566  34.283  10.146  7.343086       13.80162 
1 1 1 -15 22  33 o 81.367  4.9036  835.440    96.360   798.233    134.357  874.847    138.274  77.834  7.1956  81.633  7.0501  -3.798843      10.07371 
1 1 1 -15 22  34 o 19.991  7.8912  36.995     56.500   -29.6660   78.689   107.935    81.175   18.021  8.2007  28.109  9.7479  -10.08806      12.73864 
1 1 1 -15 22  35 o 25.760  8.5929  89.929     62.976   89.414     91.702   90.388     86.638   26.735  10.189  26.599  9.9553  0.1361084      14.24497 
1 1 1 -15 22  36 o 64.026  5.6194  529.062    86.418   562.208    121.178  494.759    123.275  64.178  7.9520  59.440  8.8144  4.737595       11.87133 
1 1 1 -15 22  37 o 74.624  5.5672  717.394    100.079  598.228    134.403  865.686    149.932  65.503  8.6695  79.816  7.8430  -14.31363      11.69071 
1 1 1 -15 22  38 o 34.861  11.545  188.630    113.757  188.630    113.757  0.0000     0.0000   34.861  11.545  ?       ?       0.000000       11.54506 
1 1 1 -15 22  39 o 54.166  10.463  433.992    132.529  433.992    132.529  0.0000     0.0000   54.166  10.463  ?       ?       0.000000       10.46252 
1 1 1 -15 22  40 o 63.727  6.0292  529.430    92.120   420.088    122.268  672.993    140.101  53.887  9.7082  69.710  8.4560  -15.82265      12.87448 
1 1 1 -15 22  41 o 64.897  6.1320  551.740    95.414   448.790    124.801  696.568    148.023  55.677  9.5836  70.316  8.8735  -14.63830      13.06080 
1 1 1 -15 22  42 o 32.578  11.748  166.920    118.821  -103.3779  284.491  224.034    130.774  28.511  13.749  36.655  12.382  -8.143482      18.50246 
1 1 1 -15 23  1  o 60.094  6.2642  446.698    89.997   280.894    149.898  540.149    112.536  46.513  12.854  65.969  7.1447  -19.45642      14.70623 
1 1 1 -15 23  2  o 85.397  5.7484  895.492    118.419  718.294    195.735  997.795    148.725  75.149  11.066  89.942  6.8667  -14.79352      13.02321 
1 1 1 -15 23  3  o 50.245  6.8693  315.275    81.554   383.855    147.654  285.169    97.830   54.426  11.539  47.313  8.8470  7.112507       14.54019 
1 1 1 -15 23  4  f 117.172 4.0931  1672.52    116.368  1680.95    163.153  1663.79    166.024  117.234 5.7356  116.463 5.8943  0.7712326      8.224365 
1 1 1 -15 23  5  o 161.995 4.5422  3200.56    178.538  3173.24    250.155  3228.93    254.893  160.885 6.4081  162.273 6.4736  -1.388229      9.108873 
1 1 1 -15 23  6  o 85.452  4.0836  889.842    84.671   852.666    117.579  929.885    122.031  83.253  5.8579  86.967  5.8165  -3.713219      8.255109 
1 1 1 -15 23  7  o 162.745 4.6064  3232.47    181.901  3218.20    255.135  3247.21    259.411  161.913 6.4942  162.617 6.5744  -0.7045441     9.241095 
1 1 1 -15 23  8  o 162.193 4.5931  3211.63    180.761  3100.03    253.300  3327.44    258.035  158.830 6.5726  164.588 6.4613  -5.757767      9.216685 
1 1 1 -15 23  9  o 191.549 4.8233  4484.60    224.177  4298.00    314.574  4677.15    319.553  186.782 6.9410  194.925 6.7563  -8.142410      9.686366 
1 1 1 -15 23  10 o 156.692 4.5210  2999.82    171.886  2779.13    241.102  3227.91    245.116  150.217 6.6148  162.027 6.2348  -11.81006      9.090015 
1 1 1 -15 23  11 o 27.219  6.8713  94.984     45.387   88.270     60.480   103.639    68.671   26.713  8.3818  28.794  8.9145  -2.080856      12.23616 
1 1 1 -15 23  12 o 75.018  4.1848  689.732    75.871   709.368    105.447  668.655    109.248  75.739  5.7816  73.418  6.1904  2.320732       8.470376 
1 1 1 -15 23  13 o 72.189  4.2264  639.399    73.706   613.584    102.656  666.868    105.892  70.289  6.0789  73.318  6.0050  -3.029350      8.544788 
1 1 1 -15 23  14 o 85.691  4.0759  898.073    84.746   851.887    118.364  946.653    121.392  82.889  5.9242  87.451  5.7530  -4.561920      8.257941 
1 1 1 -15 23  15 o 28.530  7.1137  105.298    49.076   90.742     63.336   127.169    77.634   26.980  8.5910  31.403  9.4311  -4.422581      12.75740 
1 1 1 -15 23  16 o 90.080  4.1920  994.515    91.625   909.781    126.786  1087.14    132.561  85.453  6.1560  93.556  5.8693  -8.103233      8.505558 
1 1 1 -15 23  17 o 46.769  5.2402  273.150    58.444   312.148    79.976   228.458    85.616   49.576  6.8299  41.696  8.7418  7.879208       11.09350 
1 1 1 -15 23  18 o 16.024  6.7802  4.0833     45.489   -43.0271   61.245   62.047     67.935   15.407  7.0946  24.105  8.8540  -8.698261      11.34577 
1 1 1 -15 23  19 f 60.733  6.3587  465.341    92.315   518.759    107.454  314.819    180.377  63.887  7.0492  46.855  14.438  17.03215       16.06717 
1 1 1 -15 23  20 o 51.837  6.6509  342.217    81.724   389.353    96.232   220.285    154.776  55.052  7.3908  40.061  13.471  14.99096       15.36513 
1 1 1 -15 23  21 o 53.786  6.5266  368.133    83.432   343.250    98.352   431.998    157.563  51.246  8.1850  55.571  12.034  -4.324413      14.55367 
1 1 1 -15 23  22 o 54.185  4.8780  366.364    63.446   400.319    88.650   330.708    90.844   56.020  6.6518  50.447  7.6626  5.573750       10.14703 
1 1 1 -15 23  23 o 64.915  5.2382  527.122    81.804   508.754    112.136  548.016    119.600  62.790  7.5093  65.085  7.7240  -2.295761      10.77263 
1 1 1 -15 23  24 o 90.144  4.7330  1009.17    103.160  1034.22    141.759  980.964    150.406  90.342  6.5106  87.600  7.1382  2.741936       9.661351 
1 1 1 -15 23  25 f 17.375  7.5604  -4.4527    59.578   -49.5239   96.555   23.258     75.709   19.684  9.0062  21.356  8.8714  -1.671499      12.64172 
1 1 1 -15 23  26 f 57.727  7.8290  435.861    106.830  425.134    238.877  438.543    119.440  51.164  16.720  57.344  8.8706  -6.179901      18.92707 
1 1 1 -15 23  27 o 85.478  6.9918  938.716    143.744  775.044    281.519  996.436    167.180  68.805  16.969  87.366  7.9743  -18.56116      18.74919 
1 1 1 -15 23  28 o 43.262  9.4839  258.510    96.808   547.300    235.039  199.508    106.238  57.672  16.153  37.405  10.984  20.26638       19.53349 
1 1 1 -15 23  29 o 101.845 4.8754  1296.08    120.480  1195.23    171.105  1395.26    169.672  95.760  7.4220  104.109 6.7532  -8.349487      10.03454 
1 1 1 -15 23  30 o 76.025  4.9019  726.833    89.942   788.009    127.512  666.258    126.884  77.928  6.8121  71.159  7.4597  6.768150       10.10204 
1 1 1 -15 23  31 o 44.930  6.5738  264.739    69.547   205.469    97.861   325.219    98.854   37.585  10.386  48.633  8.6965  -11.04741      13.54576 
1 1 1 -15 23  32 o 70.383  5.1101  628.571    86.674   569.114    125.250  683.208    120.066  64.844  8.1400  72.092  6.9500  -7.247986      10.70334 
1 1 1 -15 23  33 o 46.431  6.4478  283.960    70.682   269.801    103.888  296.164    96.444   42.894  10.141  45.837  8.9927  -2.942673      13.55422 
1 1 1 -15 23  34 f 38.068  7.9796  201.258    71.349   277.634    99.166   119.287    102.734  43.747  9.6054  29.357  10.870  14.38923       14.50554 
1 1 1 -15 23  35 o 71.212  5.4888  652.859    94.109   749.414    132.030  553.138    134.177  74.642  7.3870  62.511  9.1143  12.13033       11.73194 
1 1 1 -15 23  36 o 48.148  7.1622  313.086    81.126   320.189    113.541  305.678    115.957  46.256  10.372  44.795  10.796  1.461155       14.97088 
1 1 1 -15 23  37 o 48.515  11.154  361.441    128.560  361.441    128.560  0.0000     0.0000   48.515  11.154  ?       ?       0.000000       11.15428 
1 1 1 -15 23  38 o 79.916  8.8334  893.591    168.422  893.591    168.422  0.0000     0.0000   79.916  8.8334  ?       ?       0.000000       8.833364 
1 1 1 -15 23  39 o 27.976  8.8972  110.941    67.946   110.817    98.874   111.053    93.530   28.436  10.637  28.319  10.391  0.1167793      14.86962 
1 1 1 -15 23  40 o 57.670  6.1478  437.299    84.700   415.912    115.355  462.319    124.767  53.855  9.1554  56.586  9.4182  -2.730896      13.13484 
1 1 1 -15 23  41 o 42.218  11.047  281.300    114.465  517.950    274.101  231.314    125.975  46.830  17.671  37.280  12.140  9.549988       21.43895 
1 1 1 -15 24  1  o 138.423 6.0950  2346.76    204.711  2150.55    313.641  2492.38    270.202  131.144 9.9301  141.998 7.8731  -10.85367      12.67249 
1 1 1 -15 24  2  o 98.285  4.0220  1176.93    95.917   1167.09    134.539  1187.11    136.783  97.500  5.7119  98.326  5.7584  -0.8257294     8.110761 
1 1 1 -15 24  3  o 147.343 4.3989  2647.72    157.267  2652.58    220.386  2642.67    224.490  147.105 6.1744  146.798 6.3025  0.3067780      8.822917 
1 1 1 -15 24  4  o 49.090  4.7385  296.895    55.740   288.219    78.497   305.719    79.163   47.938  6.9512  49.437  6.7778  -1.499184      9.708666 
1 1 1 -15 24  5  o 115.472 4.0761  1625.61    114.204  1645.66    159.771  1604.65    163.304  115.915 5.6806  114.270 5.9100  1.645546       8.197418 
1 1 1 -15 24  6  o 60.427  7.2503  456.353    104.182  570.013    204.755  416.648    121.019  65.721  13.297  57.242  9.0109  8.478447       16.06234 
1 1 1 -15 24  7  f 116.727 4.0715  1662.14    115.316  1572.99    161.044  1755.94    165.199  113.067 5.8905  119.663 5.6896  -6.596428      8.189606 
1 1 1 -15 24  8  o 52.045  4.6505  333.728    58.110   325.616    79.233   343.170    85.481   51.019  6.5519  52.313  6.9029  -1.294342      9.517186 
1 1 1 -15 24  9  o 150.304 4.3748  2760.87    159.550  2643.42    223.241  2883.51    228.114  146.507 6.2799  153.066 6.1420  -6.558243      8.784122 
1 1 1 -15 24  10 o 168.331 4.6869  3468.92    191.432  3436.04    268.845  3502.73    272.648  166.775 6.6436  168.372 6.6737  -1.597137      9.416819 
1 1 1 -15 24  11 o 74.965  4.2261  689.383    76.558   781.208    107.051  593.256    109.530  79.503  5.5848  68.953  6.6282  10.54931       8.667403 
1 1 1 -15 24  12 f 82.549  4.1201  833.552    82.525   860.695    115.059  804.794    118.430  83.379  5.7218  80.500  6.1088  2.879265       8.369961 
1 1 1 -15 24  13 o 33.453  6.1705  142.645    48.241   108.564    64.722   185.246    72.362   29.076  8.5830  37.743  8.1407  -8.667421      11.82959 
1 1 1 -15 24  14 o 97.390  4.1059  1161.85    97.026   1190.19    135.285  1131.84    139.230  97.973  5.7157  95.412  6.0453  2.561386       8.319515 
1 1 1 -15 24  15 o 117.993 4.2383  1707.99    121.342  1582.66    168.561  1842.79    174.817  112.720 6.1867  121.924 5.9092  -9.204437      8.555314 
1 1 1 -15 24  16 o 67.304  4.3726  558.886    71.020   603.376    97.512   508.626    103.643  69.501  5.8364  63.423  6.8433  6.077866       8.994172 
1 1 1 -15 24  17 o 68.362  6.1873  587.051    101.519  595.263    118.488  564.379    196.868  68.416  7.2480  63.425  13.221  4.990528       15.07735 
1 1 1 -15 24  18 o 44.880  7.5274  261.069    79.069   253.686    91.482   282.873    157.207  43.707  8.9280  44.623  13.425  -0.9162407     16.12257 
1 1 1 -15 24  19 o 81.611  6.1641  837.686    121.163  887.099    144.367  719.946    222.846  83.470  7.1985  71.199  13.391  12.27129       15.20306 
1 1 1 -15 24  20 o 68.104  6.0910  585.041    99.589   587.516    119.201  579.318    181.227  67.657  7.3808  64.443  12.032  3.214180       14.11584 
1 1 1 -15 24  21 o 64.128  4.5654  510.811    70.574   548.477    98.540   471.146    101.122  65.813  6.2455  60.630  7.0026  5.183666       9.383146 
1 1 1 -15 24  22 f 34.258  7.7871  155.882    63.262   258.498    89.067   51.407     89.871   43.997  8.6515  24.773  9.8970  19.22424       13.14531 
1 1 1 -15 24  23 o 14.354  6.6436  -40.9414   54.716   32.918     77.565   -114.1014  77.197   22.258  9.0844  14.711  7.1106  7.546754       11.53635 
1 1 1 -15 24  24 o 95.795  4.7859  1139.16    111.242  1139.08    153.537  1139.26    161.396  94.539  6.7373  94.294  7.1064  0.2453308      9.792459 
1 1 1 -15 24  25 o 9.3962  4.7514  -179.1346  53.261   -233.8261  187.024  -174.3076  55.562   22.787  11.028  9.8523  4.9677  12.93444       12.09486 
1 1 1 -15 24  26 o 29.281  9.6848  113.525    80.060   -102.5282  210.029  150.255    86.598   27.442  12.808  32.998  9.9721  -5.556206      16.23203 
1 1 1 -15 24  27 o 29.524  9.9035  116.243    83.654   148.848    220.317  110.751    90.425   36.165  15.088  29.218  10.279  6.947622       18.25654 
1 1 1 -15 24  28 o 87.715  4.9590  966.172    105.110  969.591    148.476  962.737    148.820  86.320  7.1534  85.975  7.2002  0.3450699      10.14956 
1 1 1 -15 24  29 o 41.349  7.3334  228.258    70.882   327.229    104.924  145.173    96.136   48.523  9.2494  32.079  10.613  16.44358       14.07772 
1 1 1 -15 24  30 o 42.213  7.2172  238.176    71.267   382.433    105.893  118.736    96.354   52.836  8.5521  29.608  10.590  23.22766       13.61207 
1 1 1 -15 24  31 o 33.866  7.7673  157.839    62.468   128.907    89.930   184.816    86.837   30.208  10.268  35.700  9.7498  -5.491800      14.15922 
1 1 1 -15 24  32 o 19.051  7.7809  26.706     56.950   90.327     80.779   -36.1657   80.301   26.364  9.6591  17.833  8.1791  8.530643       12.65685 
1 1 1 -15 24  33 o 19.649  8.0648  28.777     61.563   -23.2954   85.943   83.658     88.229   19.019  8.6221  25.992  9.9729  -6.973030      13.18328 
1 1 1 -15 24  34 o 19.841  8.1290  30.647     62.404   124.334    86.586   -70.6186   90.020   29.339  10.074  17.396  8.2025  11.94342       12.99073 
1 1 1 -15 24  35 o 40.950  7.7932  232.569    74.605   124.228    101.087  362.176    110.563  29.454  10.803  49.982  9.4631  -20.52797      14.36166 
1 1 1 -15 24  36 o 33.201  11.523  170.897    113.432  170.897    113.432  0.0000     0.0000   33.201  11.523  ?       ?       0.000000       11.52255 
1 1 1 -15 24  37 o 83.832  8.8277  986.071    176.867  986.071    176.867  0.0000     0.0000   83.832  8.8277  ?       ?       0.000000       8.827700 
1 1 1 -15 24  38 o 41.234  7.9284  236.740    76.443   260.558    107.483  212.360    108.742  41.249  10.662  36.813  11.186  4.435894       15.45278 
1 1 1 -15 24  39 o 41.548  7.9580  241.482    77.306   255.771    107.929  226.429    110.780  40.603  10.776  37.786  11.247  2.817657       15.57648 
1 1 1 -15 24  40 o 25.900  10.293  83.046     96.736   -71.8755   254.326  109.251    104.598  27.738  13.279  28.034  10.831  -0.2959938     17.13617 
1 1 1 -15 25  1  o 90.629  4.0536  1001.30    89.141   996.108    123.402  1006.97    128.906  90.012  5.6792  90.455  5.9057  -0.4425583     8.193333 
1 1 1 -15 25  2  o 106.751 4.0970  1389.60    106.121  1395.08    147.037  1383.64    153.316  106.559 5.7076  106.054 5.9824  0.5046997      8.268348 
1 1 1 -15 25  3  o 67.552  4.2430  558.935    69.193   578.976    95.058   536.349    100.910  68.485  5.7743  65.765  6.4051  2.720528       8.623705 
1 1 1 -15 25  4  o 157.204 4.4748  3018.20    170.687  3128.37    239.289  2904.07    243.545  159.569 6.1803  153.629 6.5334  5.940048       8.993419 
1 1 1 -15 25  5  o 107.624 4.0840  1413.48    106.650  1412.07    150.027  1414.92    151.637  107.103 5.7946  107.196 5.8521  -0.9287262E-01 8.235514 
1 1 1 -15 25  6  o 110.061 4.0958  1478.80    109.380  1493.69    152.958  1463.22    156.475  110.138 5.7435  108.950 5.9415  1.188614       8.263734 
1 1 1 -15 25  7  o 73.038  4.1442  653.668    73.140   712.642    102.232  591.832    104.683  75.974  5.5848  69.022  6.3209  6.952034       8.434669 
1 1 1 -15 25  8  o 76.552  4.1546  718.261    76.882   711.041    106.705  726.057    110.869  75.790  5.8476  76.546  6.0178  -0.7561493     8.390991 
1 1 1 -15 25  9  o 54.058  4.5661  360.393    59.332   384.695    80.981   332.231    87.176   55.519  6.1127  51.259  7.2083  4.260406       9.451199 
1 1 1 -15 25  10 o 98.150  4.0902  1178.40    97.410   1053.32    135.835  1310.82    139.765  92.140  6.1104  103.000 5.6136  -10.85957      8.297523 
1 1 1 -15 25  11 o 60.972  4.3915  457.931    64.533   355.369    88.373   575.106    94.459   52.998  7.0468  68.016  5.7783  -15.01737      9.113005 
1 1 1 -15 25  12 o 84.194  4.1464  868.529    84.707   769.781    118.572  971.456    121.055  78.536  6.2747  88.497  5.6673  -9.961189      8.455163 
1 1 1 -15 25  13 o 88.241  4.1755  954.928    89.402   957.797    123.998  951.821    129.018  87.736  5.8583  87.360  6.1253  0.3760300      8.475823 
1 1 1 -15 25  14 o 48.670  4.8710  294.714    56.750   279.147    77.425   312.787    83.424   46.727  7.0480  49.476  7.1572  -2.748550      10.04492 
1 1 1 -15 25  15 o 45.924  5.1684  263.871    56.591   163.497    75.862   389.806    84.974   35.064  8.9009  55.526  6.4257  -20.46218      10.97797 
1 1 1 -15 25  16 f 71.059  6.0470  634.011    103.269  622.980    122.528  661.065    191.880  69.887  7.3350  69.505  11.800  0.3820419      13.89360 
1 1 1 -15 25  17 o 81.025  6.0462  824.542    118.013  784.105    139.935  924.132    219.607  78.318  7.4537  82.563  11.255  -4.245171      13.49977 
1 1 1 -15 25  18 o 47.903  7.2446  296.630    81.576   259.519    92.257   429.641    174.659  44.074  8.9327  54.508  13.319  -10.43423      16.03714 
1 1 1 -15 25  19 o 13.977  6.1937  -11.7785   41.689   -34.6738   55.325   18.299     63.412   14.826  6.7960  19.617  8.1315  -4.790239      10.59747 
1 1 1 -15 25  20 o 58.666  5.4642  432.748    76.887   504.587    107.202  356.648    110.335  62.627  7.1847  51.609  9.1458  11.01812       11.63039 
1 1 1 -15 25  21 o 29.309  8.1625  114.496    60.197   101.880    85.346   126.986    84.917   28.559  9.9901  30.915  9.9586  -2.355694      14.10584 
1 1 1 -15 25  22 o 34.511  7.7232  158.537    63.057   301.073    89.226   16.319     89.126   47.780  7.9775  22.270  9.4604  25.51041       12.37498 
1 1 1 -15 25  23 o 29.052  8.1159  112.932    59.416   72.596     85.867   149.987    82.300   25.963  9.8678  33.100  9.6525  -7.136427      13.80380 
1 1 1 -15 25  24 o 31.866  9.7142  138.729    81.916   62.963     199.980  154.005    89.795   32.239  13.940  33.394  10.169  -1.154419      17.25432 
1 1 1 -15 25  25 o 19.260  8.3145  3.0300     70.924   -95.0286   201.726  16.861     75.761   26.986  12.580  20.747  8.7630  6.238829       15.33160 
1 1 1 -15 25  26 o 20.305  8.7830  4.8197     79.459   504.001    214.360  -74.6956   85.554   55.492  15.385  17.105  8.0443  38.38661       17.36107 
1 1 1 -15 25  27 o 39.988  7.7411  215.351    72.395   218.144    107.000  212.993    98.314   38.666  10.923  38.490  10.317  0.1758156      15.02501 
1 1 1 -15 25  28 o 21.052  8.2682  41.880     61.735   75.975     93.988   16.007     81.874   26.203  10.227  21.090  9.0157  5.113031       13.63390 
1 1 1 -15 25  29 o 23.587  8.5496  68.052     63.045   132.530    95.740   18.686     83.772   30.680  10.589  21.349  9.1229  9.331604       13.97720 
1 1 1 -15 25  30 o 33.699  8.5709  160.244    70.245   161.717    106.635  159.116    93.364   33.021  11.181  32.902  10.426  0.1191750      15.28757 
1 1 1 -15 25  31 o 25.120  8.3127  85.441     58.980   30.650     85.401   135.403    81.551   22.045  9.3071  30.570  9.7500  -8.524290      13.47905 
1 1 1 -15 25  32 o 17.177  7.5146  -0.5127    59.558   9.9340     78.797   -14.4340   90.962   20.038  8.7068  19.928  8.9670  0.1095428      12.49861 
1 1 1 -15 25  33 o 29.501  8.7213  125.148    66.781   114.365    92.610   136.830    96.388   28.458  10.355  30.400  10.618  -1.941736      14.83110 
1 1 1 -15 25  34 o 99.076  5.0548  1254.56    121.112  1120.14    167.679  1401.19    175.121  90.645  7.6966  102.250 7.1026  -11.60515      10.47298 
1 1 1 -15 25  35 f 61.388  8.0458  521.463    116.958  571.156    129.345  298.656    273.885  63.762  8.5779  38.693  16.514  25.06931       18.60891 
1 1 1 -15 25  36 o 25.225  10.258  68.292     98.452   68.292     98.452   0.0000     0.0000   25.225  10.258  ?       ?       0.000000       10.25821 
1 1 1 -15 25  37 o 24.362  8.7998  77.766     66.703   35.522     91.858   124.892    97.020   22.664  9.6150  29.350  10.611  -6.686520      14.31929 
1 1 1 -15 25  38 o 25.013  8.8394  84.919     66.936   88.633     91.407   80.625     98.292   26.202  10.125  25.908  10.350  0.2932758      14.47919 
1 1 1 -15 25  39 o 20.493  9.1277  1.0052     91.684   -58.0826   262.174  9.2383     97.864   28.130  13.471  21.445  9.4971  6.685087       16.48208 
1 1 1 -15 26  1  o 143.501 4.3039  2514.38    149.859  2482.21    208.833  2548.53    215.175  142.136 6.0552  143.991 6.1588  -1.854980      8.636919 
1 1 1 -15 26  2  o 15.833  6.5090  10.180     40.180   6.0030     51.878   16.442     63.521   17.333  7.2824  19.846  8.1743  -2.512312      10.94773 
1 1 1 -15 26  3  o 36.935  5.5960  171.109    48.580   181.094    67.759   160.548    69.688   37.565  7.6928  35.239  8.2890  2.326077       11.30865 
1 1 1 -15 26  4  o 156.328 4.5122  2988.93    171.156  3056.14    240.225  2919.64    243.920  157.481 6.2867  153.828 6.5350  3.652954       9.068042 
1 1 1 -15 26  5  o 29.500  6.6952  111.723    46.827   124.977    64.275   96.731     68.360   31.106  8.3437  27.974  8.9272  3.131912       12.21930 
1 1 1 -15 26  6  o 16.614  6.6314  17.719     40.311   -4.3443    56.660   40.335     57.365   17.217  7.4320  21.173  8.0611  -3.956129      10.96427 
1 1 1 -15 26  7  o 25.484  6.7236  83.370     42.178   99.086     57.782   65.446     61.708   27.838  8.0793  24.141  8.4919  3.696983       11.72121 
1 1 1 -15 26  8  o 18.037  6.7749  30.458     40.195   63.721     53.759   -11.7111   60.529   23.337  7.9386  17.257  7.5618  6.080229       10.96365 
1 1 1 -15 26  9  o 66.805  4.3325  549.209    69.849   533.549    97.311   565.852    100.321  65.355  6.2111  67.321  6.2116  -1.965347      8.784186 
1 1 1 -15 26  10 o 16.286  6.6691  12.540     41.975   -24.5072   57.039   56.301     61.993   15.841  7.1168  23.127  8.4634  -7.285697      11.05795 
1 1 1 -15 26  11 o 130.600 4.3252  2093.68    137.060  1992.69    191.535  2199.67    196.215  126.618 6.2343  133.112 6.0751  -6.494049      8.704792 
1 1 1 -15 26  12 o 105.586 4.1280  1368.13    105.757  1324.42    146.985  1415.06    152.283  103.118 5.8990  106.593 5.9110  -3.474670      8.350959 
1 1 1 -15 26  13 o 96.556  4.1373  1145.10    96.931   1035.23    135.369  1260.70    138.858  90.936  6.1716  100.606 5.7119  -9.669693      8.409183 
1 1 1 -15 26  14 f 50.543  6.6222  325.270    79.261   346.559    93.180   269.545    150.750  51.812  7.6413  43.699  13.146  8.112114       15.20560 
1 1 1 -15 26  15 o 54.104  6.6390  372.850    85.327   349.354    100.879  431.925    159.957  51.665  8.3305  55.505  12.209  -3.839867      14.78026 
1 1 1 -15 26  16 o 90.019  5.9805  1017.76    129.883  907.448    155.568  1271.56    235.976  84.034  7.7158  97.745  10.095  -13.71152      12.70608 
1 1 1 -15 26  17 o 53.950  6.7828  372.946    86.828   370.307    98.778   381.914    182.111  53.279  7.8783  50.626  14.232  2.652905       16.26709 
1 1 1 -15 26  18 o 45.733  5.4285  264.199    59.062   269.423    80.423   258.082    87.018   45.386  7.5694  44.028  8.4528  1.357853       11.34662 
1 1 1 -15 26  19 o 38.320  7.1246  192.218    63.806   191.515    95.057   192.794    86.080   37.201  10.218  37.542  9.4551  -0.3406944     13.92127 
1 1 1 -15 26  20 o 58.688  5.3415  433.200    75.231   478.548    105.103  385.556    107.731  60.832  7.2643  53.905  8.5197  6.927040       11.19625 
1 1 1 -15 26  21 o 53.347  5.6655  360.512    72.214   230.154    98.572   511.522    106.093  40.705  10.042  62.965  7.0662  -22.26049      12.27927 
1 1 1 -15 26  22 o 37.249  7.3785  183.673    64.329   224.811    87.816   136.033    94.501   40.534  9.1462  31.756  10.523  8.777470       13.94218 
1 1 1 -15 26  23 o 59.973  7.3592  469.200    104.843  351.553    203.821  511.529    122.258  46.798  15.451  62.070  8.3277  -15.27174      17.55273 
1 1 1 -15 26  24 o 20.562  8.5239  24.086     69.687   -76.4983   151.889  50.905     78.429   23.760  11.022  23.468  9.2867  0.2920876      14.41308 
1 1 1 -15 26  25 o 65.980  5.3382  551.156    84.730   469.742    110.887  665.385    131.347  59.448  7.8818  70.975  7.7530  -11.52735      11.05584 
1 1 1 -15 26  26 f 21.008  8.5148  34.474     67.571   95.256     109.074  -3.3808    86.079   28.449  11.042  20.411  8.9789  8.038342       14.23154 
1 1 1 -15 26  27 o 50.909  6.5266  339.139    78.764   287.897    113.994  385.949    108.954  44.236  10.730  52.894  8.7984  -8.657524      13.87628 
1 1 1 -15 26  28 o 52.924  6.2245  365.270    78.404   512.297    113.336  230.331    108.577  61.685  7.7428  39.107  10.988  22.57805       13.44167 
1 1 1 -15 26  29 o 49.559  6.6388  325.183    77.825   376.388    117.432  285.081    103.924  51.019  9.8428  44.162  9.9385  6.857002       13.98760 
1 1 1 -15 26  30 o 32.704  8.5858  152.813    68.998   125.090    100.324  177.695    95.046   29.638  10.779  34.299  10.465  -4.661417      15.02354 
1 1 1 -15 26  31 o 63.225  5.6185  518.364    85.295   501.115    120.123  535.905    121.136  59.792  8.5209  62.113  8.2411  -2.320984      11.85415 
1 1 1 -15 26  32 f 53.873  6.3737  385.091    81.702   394.598    112.010  374.282    119.434  52.321  9.1565  49.994  10.191  2.327003       13.70050 
1 1 1 -15 26  33 o 41.784  7.3427  239.997    71.728   216.484    97.783   267.386    105.537  37.513  10.388  41.764  10.442  -4.251411      14.72899 
1 1 1 -15 26  34 o 15.515  7.4757  -100.7327  83.684   -100.7327  83.684   0.0000     0.0000   15.515  7.4757  ?       ?       0.000000       7.475714 
1 1 1 -15 26  35 o 59.918  9.6213  523.387    135.147  523.387    135.147  0.0000     0.0000   59.918  9.6213  ?       ?       0.000000       9.621271 
1 1 1 -15 26  36 o 21.553  8.4454  50.041     64.279   -14.3524   93.873   106.889    88.201   20.078  9.0648  27.605  10.096  -7.527225      13.56851 
1 1 1 -15 26  37 o 60.477  6.2081  484.183    89.806   485.352    124.694  482.923    129.449  57.870  9.1873  57.246  9.6635  0.6240234      13.33372 
1 1 1 -15 26  38 o 28.622  10.743  120.938    101.034  -93.0068   270.167  155.723    108.938  27.568  13.320  31.335  11.255  -3.766821      17.43803 
1 1 1 -15 27  1  o 29.571  6.5367  112.064    45.654   100.833    61.308   126.045    68.402   28.193  8.3616  31.271  8.6982  -3.078461      12.06544 
1 1 1 -15 27  2  o 59.448  4.4022  434.664    63.048   472.941    86.592   391.475    91.979   61.716  5.8525  55.825  6.9402  5.891178       9.078457 
1 1 1 -15 27  3  o 20.299  7.0865  45.912     42.934   -8.8159    57.359   115.643    64.746   16.997  7.4069  29.979  8.5066  -12.98132      11.27933 
1 1 1 -15 27  4  o 100.861 4.0565  1243.88    99.274   1240.72    138.772  1247.18    142.077  100.189 5.7323  100.409 5.8570  -0.2202606     8.195305 
1 1 1 -15 27  5  f 71.133  4.1153  621.123    70.726   624.051    98.254   617.974    101.888  70.907  5.7606  70.487  6.0149  0.4196396      8.328447 
1 1 1 -15 27  6  o 47.201  4.7444  276.191    53.601   224.393    74.226   332.638    77.485   41.771  7.6036  51.449  6.3411  -9.678444      9.900662 
1 1 1 -15 27  7  o 16.646  6.5902  19.509     39.513   35.785     53.617   0.1624     58.455   20.218  7.7703  17.759  7.6056  2.458796       10.87302 
1 1 1 -15 27  8  o 77.415  4.1344  736.640    77.380   711.065    108.218  763.396    110.688  75.531  5.9531  78.306  5.8683  -2.774254      8.359212 
1 1 1 -15 27  9  o 145.015 4.4280  2583.67    155.806  2501.40    218.495  2668.79    222.240  141.751 6.3526  146.475 6.2531  -4.724075      8.913872 
1 1 1 -15 27  10 o 142.702 4.4917  2505.02    155.526  2595.75    218.382  2411.64    221.545  144.346 6.2351  138.932 6.5720  5.414688       9.059145 
1 1 1 -15 27  11 o 115.820 4.2018  1648.58    118.081  1612.60    164.279  1687.03    169.843  113.661 5.9777  116.225 6.0434  -2.564461      8.500368 
1 1 1 -15 27  12 o 39.572  5.5852  198.144    52.138   213.881    71.474   180.247    76.223   40.517  7.5479  36.791  8.6790  3.726402       11.50194 
1 1 1 -15 27  13 o 110.293 5.9249  1522.84    157.977  1462.52    196.774  1632.22    264.975  107.004 7.6288  111.190 9.9258  -4.186668      12.51879 
1 1 1 -15 27  14 o 37.770  7.6169  187.578    67.397   293.357    78.862   -98.9622   129.795  47.709  7.0226  21.482  10.040  26.22633       12.25257 
1 1 1 -15 27  15 o 96.817  5.8491  1177.02    136.760  1089.00    168.297  1348.15    234.655  92.049  7.6032  100.759 9.7186  -8.709915      12.33934 
1 1 1 -15 27  16 o 44.490  5.4050  250.195    57.149   328.199    78.538   162.414    83.314   50.606  6.5497  34.504  9.6004  16.10204       11.62184 
1 1 1 -15 27  17 o 54.831  5.4363  378.872    71.373   292.256    101.954  462.118    99.951   46.407  9.3769  59.914  7.0078  -13.50647      11.70623 
1 1 1 -15 27  18 o 58.693  5.2559  432.973    74.058   483.181    105.798  384.735    103.701  61.099  7.2797  54.003  8.1692  7.095142       10.94217 
1 1 1 -15 27  19 o 46.568  6.0033  277.094    66.254   315.384    94.906   240.695    92.532   48.679  8.3347  41.945  9.3325  6.734436       12.51254 
1 1 1 -15 27  20 o 53.565  5.5573  363.378    71.178   411.341    101.682  317.294    99.670   56.016  7.6836  48.537  8.7865  7.478775       11.67214 
1 1 1 -15 27  21 o 32.123  9.4917  141.785    79.118   218.195    158.722  116.522    91.264   38.687  13.618  29.841  10.337  8.845984       17.09674 
1 1 1 -15 27  22 o 63.344  7.1899  522.632    108.551  618.769    207.803  486.554    127.300  63.635  13.852  59.957  9.0304  3.677197       16.53527 
1 1 1 -15 27  23 o 37.102  9.4554  192.872    85.371   260.192    180.155  173.377    96.947   40.851  14.494  34.883  10.553  5.968151       17.92936 
1 1 1 -15 27  24 o 29.393  7.9795  117.969    58.371   86.215     81.586   151.267    83.547   26.460  9.7052  32.737  9.7728  -6.276655      13.77315 
1 1 1 -15 27  25 o 49.368  6.2880  317.125    73.612   396.906    102.241  231.256    106.070  54.250  8.0079  39.624  10.756  14.62653       13.40992 
1 1 1 -15 27  26 o 103.169 4.8922  1340.75    122.467  1429.83    170.832  1246.55    175.658  104.628 6.7653  96.849  7.5342  7.778618       10.12593 
1 1 1 -15 27  27 o 63.179  5.6099  513.639    85.104   554.396    119.936  472.307    120.779  63.946  7.8977  58.240  8.8232  5.706463       11.84158 
1 1 1 -15 27  28 o 24.057  8.6111  74.419     63.718   84.147     98.363   67.386     83.639   26.525  10.431  24.496  9.6229  2.029505       14.19151 
1 1 1 -15 27  29 o 35.574  7.8910  177.254    66.330   163.858    97.116   188.967    90.811   32.829  10.657  35.424  10.082  -2.595844      14.67080 
1 1 1 -15 27  30 o 21.964  8.5094  54.055     64.694   89.236     100.925  29.517     84.289   26.685  10.543  21.645  9.1977  5.039709       13.99077 
1 1 1 -15 27  31 o 40.744  7.1105  227.233    67.738   180.420    95.770   274.097    95.822   34.109  10.522  43.099  9.4256  -8.989407      14.12649 
1 1 1 -15 27  32 o 34.994  7.7428  172.455    64.003   59.746     90.437   285.545    90.590   23.998  9.8037  44.580  8.6871  -20.58204      13.09878 
1 1 1 -15 27  33 o 32.441  10.729  163.367    98.265   145.596    105.992  272.097    262.167  30.866  11.100  37.186  16.020  -6.320501      19.48936 
1 1 1 -15 27  34 o 24.537  9.8689  67.332     90.021   67.332     90.021   0.0000     0.0000   24.537  9.8689  ?       ?       0.000000       9.868873 
1 1 1 -15 27  35 o 18.936  8.4520  -6.6001    79.059   -6.6001    79.059   0.0000     0.0000   18.936  8.4520  ?       ?       0.000000       8.451989 
1 1 1 -15 27  36 o 59.377  6.4118  470.642    90.911   496.932    122.312  438.190    135.894  58.762  8.8532  53.004  10.929  5.757389       14.06529 
1 1 1 -15 27  37 o 24.127  10.428  45.625     111.826  411.695    264.082  -34.3585   123.440  41.047  16.759  21.450  9.9459  19.59645       19.48789 
1 1 1 -15 28  1  o 82.465  4.5610  836.018    90.908   826.466    140.576  842.884    119.184  81.200  7.2100  82.411  6.0015  -1.211510      9.380939 
1 1 1 -15 28  2  o 83.637  4.1137  856.096    83.482   804.710    115.439  912.429    120.870  80.499  5.9524  85.779  5.8421  -5.279846      8.340283 
1 1 1 -15 28  3  o 105.199 4.1371  1355.10    105.602  1267.40    146.710  1449.40    152.124  101.054 6.0104  108.165 5.8177  -7.110184      8.364818 
1 1 1 -15 28  4  o 20.281  7.1311  45.806     43.514   -15.9252   58.399   122.858    65.245   16.618  7.3491  30.710  8.4777  -14.09126      11.21965 
1 1 1 -15 28  5  o 64.819  4.2693  517.478    66.771   541.870    93.709   492.322    95.166   65.890  5.9247  62.650  6.3479  3.239624       8.683227 
1 1 1 -15 28  6  o 91.846  4.0732  1034.23    90.775   1043.59    127.458  1024.59    129.312  91.614  5.7631  90.718  5.9069  0.8964615      8.252559 
1 1 1 -15 28  7  o 90.725  4.0822  1009.82    89.864   1079.56    125.877  937.324    128.332  93.197  5.5923  86.600  6.1473  6.597046       8.310421 
1 1 1 -15 28  8  o 9.0124  4.4241  -66.5820   33.268   -92.8371   43.829   -30.8946   51.099   10.134  4.9948  14.406  6.5761  -4.272075      8.257880 
1 1 1 -15 28  9  o 26.179  6.7897  89.204     43.494   72.044     59.634   108.705    63.573   24.487  8.3610  28.846  8.5041  -4.359119      11.92583 
1 1 1 -15 28  10 o 65.971  4.2995  537.998    68.447   438.143    95.858   641.871    97.767   58.644  6.8666  71.612  5.6730  -12.96827      8.906893 
1 1 1 -15 28  11 o 29.351  8.2488  113.849    61.185   126.273    69.411   70.554     129.573  30.822  8.8290  29.137  11.797  1.685364       14.73534 
1 1 1 -15 28  12 o 77.163  5.9431  749.139    110.416  692.219    131.808  883.069    202.184  73.384  7.5082  80.909  10.550  -7.525459      12.94876 
1 1 1 -15 28  13 o 75.951  5.9572  727.132    108.905  626.508    131.710  944.618    193.634  69.453  7.9593  84.228  9.6486  -14.77504      12.50784 
1 1 1 -15 28  14 o 51.823  6.6382  344.635    81.553   333.854    95.437   373.815    157.006  50.357  8.0843  50.689  12.771  -0.3324471     15.11485 
1 1 1 -15 28  15 o 20.608  7.1098  50.325     43.156   30.345     57.428   76.247     65.412   19.857  7.9184  25.047  8.7468  -5.190527      11.79865 
1 1 1 -15 28  16 o 23.277  8.0108  65.936     54.771   45.645     83.545   81.230     72.532   23.686  9.5142  25.910  9.1966  -2.223852      13.23239 
1 1 1 -15 28  17 o 60.229  5.2476  456.281    75.922   465.924    105.631  445.977    109.198  59.835  7.4360  58.260  7.9307  1.574879       10.87155 
1 1 1 -15 28  18 f 24.197  8.0548  73.953     55.348   27.497     81.288   114.104    75.571   22.110  9.1892  29.259  9.3914  -7.149078      13.13922 
1 1 1 -15 28  19 o 79.139  4.7997  782.730    91.730   799.946    129.561  765.426    129.891  78.842  6.8403  76.989  7.0308  1.853340       9.809279 
1 1 1 -15 28  20 o 47.732  8.3423  306.215    93.101   229.970    185.033  332.062    107.731  39.378  14.586  49.158  9.3742  -9.779873      17.33852 
1 1 1 -15 28  21 o 67.460  7.0627  592.432    113.893  431.597    214.958  655.204    134.291  50.728  15.783  70.311  8.0148  -19.58231      17.70153 
1 1 1 -15 28  22 o 69.453  7.0020  629.255    116.388  895.920    220.569  526.355    137.016  78.196  12.009  61.768  9.4419  16.42842       15.27628 
1 1 1 -15 28  23 o 51.635  5.9089  343.628    72.697   380.982    99.101   300.107    106.969  53.236  7.9126  45.908  9.8945  7.327705       12.66930 
1 1 1 -15 28  24 o 63.136  5.4258  509.084    82.312   481.656    113.055  540.025    120.077  59.712  8.0045  63.269  8.0005  -3.557140      11.31724 
1 1 1 -15 28  25 f 52.244  6.2048  356.397    77.117   308.624    105.934  410.259    112.481  46.287  9.7406  54.259  8.8486  -7.972843      13.15970 
1 1 1 -15 28  26 o 34.218  8.0944  163.974    66.153   195.303    96.780   136.500    90.631   36.048  10.454  30.650  10.308  5.397943       14.68168 
1 1 1 -15 28  27 o 45.440  7.1558  279.548    76.288   310.215    111.971  252.980    104.221  45.462  10.379  40.851  10.467  4.610939       14.74049 
1 1 1 -15 28  28 o 46.251  7.0211  289.803    76.317   208.415    114.133  355.623    102.638  36.077  11.537  49.940  8.7914  -13.86227      14.50511 
1 1 1 -15 28  29 o 18.134  7.7554  12.765     60.627   51.857     91.701   -17.5903   80.807   23.559  9.7731  18.552  8.3900  5.007212       12.88042 
1 1 1 -15 28  30 o 50.341  6.7968  342.492    80.899   299.810    120.047  378.003    109.497  43.226  11.314  50.900  9.2046  -7.674473      14.58523 
1 1 1 -15 28  31 o 14.163  6.8984  -112.7538  76.345   -136.9784  83.159   17.156     192.577  14.306  7.0172  27.341  12.586  -13.03435      14.41026 
1 1 1 -15 28  32 o 18.676  8.3692  -9.2222    78.343   -15.1475   83.631   33.235     223.868  18.922  8.5484  28.990  13.425  -10.06827      15.91559 
1 1 1 -15 28  33 o 26.611  10.502  91.399     100.059  91.399     100.059  0.0000     0.0000   26.611  10.502  ?       ?       0.000000       10.50232 
1 1 1 -15 28  34 o 28.709  10.502  121.269    95.437   121.269    95.437   0.0000     0.0000   28.709  10.502  ?       ?       0.000000       10.50188 
1 1 1 -15 28  35 o 35.294  8.6596  182.926    73.600   158.349    94.313   221.205    117.704  31.773  10.512  36.355  11.726  -4.581940      15.74782 
1 1 1 -15 28  36 o 21.383  9.6508  -1.0435    106.296  -222.6333  273.346  38.435     115.377  25.233  12.444  23.851  10.446  1.381248       16.24722 
1 1 1 -15 29  1  o 58.522  4.4181  422.604    62.274   361.297    84.419   495.790    92.237   53.499  6.6465  62.957  6.1152  -9.457676      9.031729 
1 1 1 -15 29  2  o 31.765  6.1680  129.307    45.826   121.719    60.613   139.431    70.012   30.519  8.0641  32.573  8.6955  -2.054104      11.85920 
1 1 1 -15 29  3  o 76.623  4.1231  722.111    76.374   652.666    105.284  799.243    110.958  72.259  6.0609  80.124  5.7455  -7.865059      8.351345 
1 1 1 -15 29  4  o 83.210  4.1295  849.709    83.376   845.213    115.505  854.601    120.475  82.337  5.8190  82.708  6.0451  -0.3707809     8.390722 
1 1 1 -15 29  5  o 67.887  4.2729  568.540    70.026   561.472    97.111   576.195    101.070  66.913  6.0467  67.728  6.2197  -0.8150711     8.674510 
1 1 1 -15 29  6  o 38.770  5.4936  189.898    50.233   244.427    69.508   130.280    72.679   43.680  6.7779  31.399  9.0462  12.28114       11.30370 
1 1 1 -15 29  7  o 69.499  4.2382  596.396    71.128   622.313    99.317   569.106    101.915  70.448  5.8634  67.169  6.3278  3.279182       8.626770 
1 1 1 -15 29  8  o 46.360  4.8760  268.636    54.027   198.473    74.844   344.976    78.070   38.724  8.2199  52.133  6.2995  -13.40895      10.35617 
1 1 1 -15 29  9  o 71.894  6.0312  651.083    104.239  638.506    125.628  678.879    186.761  70.519  7.4551  70.372  11.321  0.1463928      13.55557 
1 1 1 -15 29  10 o 30.688  8.3002  125.616    63.295   70.929     71.943   312.957    133.157  25.025  9.1236  47.066  11.708  -22.04034      14.84308 
1 1 1 -15 29  11 o 29.847  8.2973  118.880    62.260   128.395    70.633   85.731     131.839  30.933  8.9197  29.939  11.978  0.9944286      14.93414 
1 1 1 -15 29  12 o 40.363  7.5060  214.428    70.806   218.841    81.251   200.496    144.360  40.360  8.5622  37.841  13.006  2.518559       15.57171 
1 1 1 -15 29  13 o 43.725  5.2364  241.651    54.450   227.210    74.528   258.184    79.744   41.461  7.6915  44.253  7.7066  -2.792564      10.88808 
1 1 1 -15 29  14 o 20.592  7.9241  40.302     55.807   36.365     82.930   43.560     75.446   22.930  9.3801  22.774  9.0779  0.1560516      13.05350 
1 1 1 -15 29  15 o 64.385  5.1617  520.727    79.960   505.472    113.882  535.560    112.296  62.156  7.7171  64.217  7.3387  -2.060654      10.64940 
1 1 1 -15 29  16 o 64.855  5.0560  527.975    78.935   526.315    112.249  529.600    111.022  63.562  7.4177  63.830  7.2996  -0.2679939     10.40701 
1 1 1 -15 29  17 o 105.916 4.5758  1394.45    117.597  1422.05    164.831  1365.84    167.824  105.535 6.4681  103.203 6.7389  2.331993       9.340715 
1 1 1 -15 29  18 o 104.041 6.3226  1381.71    158.855  1999.14    269.384  1052.53    196.695  122.009 9.1664  88.230  9.3293  33.77908       13.07900 
1 1 1 -15 29  19 o 84.188  6.5788  912.130    133.322  934.284    239.501  902.183    160.486  79.298  12.890  82.517  8.1207  -3.219109      15.23486 
1 1 1 -15 29  20 o 67.654  7.0664  597.860    114.287  483.246    215.692  642.599    134.759  53.503  15.633  69.366  8.1627  -15.86332      17.63592 
1 1 1 -15 29  21 o 74.529  5.2263  703.471    93.914   714.880    123.543  687.852    144.547  73.954  6.9669  71.303  8.5238  2.651367       11.00875 
1 1 1 -15 29  22 o 79.017  5.0855  790.643    96.986   764.938    130.031  822.873    145.604  76.222  7.1129  78.518  7.7434  -2.296326      10.51445 
1 1 1 -15 29  23 o 39.565  7.1331  210.623    65.959   289.978    91.072   123.075    95.658   45.704  8.5259  29.736  10.561  15.96838       13.57271 
1 1 1 -15 29  24 o 53.248  5.9011  368.698    74.961   334.135    101.789  409.655    110.805  48.657  8.9515  54.159  8.7287  -5.501518      12.50276 
1 1 1 -15 29  25 o 28.134  8.3819  111.750    61.504   101.319    87.376   121.994    86.589   27.358  10.042  29.168  10.070  -1.810699      14.22190 
1 1 1 -15 29  26 o 53.364  6.1663  375.482    78.372   367.153    110.142  384.025    111.542  50.310  9.3674  51.578  9.2528  -1.268059      13.16671 
1 1 1 -15 29  27 o 29.665  8.7078  127.949    66.783   37.044     98.329   205.790    90.990   23.103  9.8784  36.784  9.9529  -13.68088      14.02295 
1 1 1 -15 29  28 o 60.734  5.9469  485.901    86.512   482.882    125.550  488.631    119.376  57.473  9.3224  58.461  8.6792  -0.9876480     12.73715 
1 1 1 -15 29  29 o 23.783  8.7268  74.518     65.973   119.567    97.243   36.101     89.801   28.519  10.572  22.278  9.4807  6.241053       14.20028 
1 1 1 -15 29  30 o 22.943  10.008  28.999     104.981  47.007     112.164  -98.2532   298.157  24.346  10.483  28.430  13.799  -4.084602      17.32903 
1 1 1 -15 29  31 f 29.385  10.698  130.310    98.868   138.447    107.709  86.762     249.174  30.060  11.130  30.895  14.256  -0.8350239     18.08617 
1 1 1 -15 29  32 o 29.279  10.529  128.913    95.370   128.913    95.370   0.0000     0.0000   29.279  10.529  ?       ?       0.000000       10.52911 
1 1 1 -15 29  33 o 25.177  9.9607  79.232     90.208   79.232     90.208   0.0000     0.0000   25.177  9.9607  ?       ?       0.000000       9.960709 
1 1 1 -15 29  34 o 44.268  7.5234  274.409    77.918   256.322    100.320  301.909    123.703  40.481  10.214  42.525  11.646  -2.044247      15.49051 
1 1 1 -15 29  35 o 23.319  10.197  37.258     109.553  196.805    259.521  2.6619     120.848  32.948  14.955  22.464  10.199  10.48391       18.10168 
1 1 1 -15 30  1  o 44.401  5.2022  246.844    54.984   235.904    73.447   260.792    82.932   42.756  7.3443  44.806  7.9178  -2.049934      10.79953 
1 1 1 -15 30  2  o 38.253  5.6252  185.202    50.653   190.969    68.550   178.267    75.176   38.254  7.6525  36.672  8.5979  1.582012       11.51019 
1 1 1 -15 30  3  o 120.310 4.2504  1780.24    124.078  1828.83    172.623  1728.30    178.468  121.196 5.8701  117.447 6.2854  3.748978       8.600261 
1 1 1 -15 30  4  o 59.629  4.4132  440.323    63.398   359.672    86.354   534.620    93.374   53.073  6.8667  65.216  5.9668  -12.14363      9.096977 
1 1 1 -15 30  5  o 43.090  5.1487  233.255    52.766   242.303    71.001   222.092    78.860   43.337  6.9899  41.017  8.2102  2.319977       10.78263 
1 1 1 -15 30  6  o 104.662 4.1710  1349.08    105.925  1377.97    148.376  1319.06    151.266  104.872 5.8543  102.454 6.1127  2.418839       8.463914 
1 1 1 -15 30  7  o 69.535  5.9911  609.756    100.096  620.427    119.782  585.057    182.236  69.570  7.2000  64.595  12.071  4.975250       14.05520 
1 1 1 -15 30  8  o 61.354  6.1788  477.483    90.732   466.788    107.335  504.255    169.823  60.036  7.5341  59.662  12.144  0.3744812      14.29121 
1 1 1 -15 30  9  o 33.467  8.3255  150.547    67.330   221.365    77.695   -63.0114   134.921  40.785  8.1364  23.092  10.595  17.69234       13.35880 
1 1 1 -15 30  10 o 30.014  8.3066  120.868    62.547   103.162    70.857   183.354    133.110  28.095  9.1017  36.374  12.490  -8.278654      15.45459 
1 1 1 -15 30  11 o 24.202  7.2428  76.348     45.848   154.205    64.533   -2.9987    65.148   33.893  7.9794  18.190  7.9106  15.70263       11.23598 
1 1 1 -15 30  12 o 62.760  4.9661  493.672    75.007   417.036    107.870  565.414    104.369  56.151  8.1559  66.430  6.5608  -10.27894      10.46722 
1 1 1 -15 30  13 o 78.721  4.7253  773.404    89.840   687.883    129.356  853.093    124.868  72.747  7.4328  81.798  6.3409  -9.050934      9.769986 
1 1 1 -15 30  14 o 51.616  5.7677  339.324    70.999   437.496    103.864  253.211    97.276   57.754  7.5959  42.748  9.6118  15.00612       12.25089 
1 1 1 -15 30  15 o 109.167 4.5548  1481.75    120.649  1450.28    169.611  1513.98    171.654  106.421 6.6010  108.799 6.5325  -2.378593      9.286930 
1 1 1 -15 30  16 o 108.983 4.5788  1478.47    121.081  1392.59    168.635  1569.85    173.958  104.085 6.7130  110.721 6.5037  -6.635826      9.346760 
1 1 1 -15 30  17 o 32.551  9.3346  147.469    77.550   -36.1032   155.138  208.620    89.540   25.282  11.509  38.529  9.6100  -13.24644      14.99357 
1 1 1 -15 30  18 o 32.392  9.4572  146.996    78.962   21.335     167.613  182.839    89.518   28.143  12.448  35.837  9.9444  -7.693678      15.93230 
1 1 1 -15 30  19 o 56.182  7.4605  418.921    99.188   590.917    188.151  352.725    116.725  62.124  12.904  49.844  9.9991  12.28014       16.32452 
1 1 1 -15 30  20 o 95.067  4.8138  1138.11    110.679  1253.37    156.370  1022.39    156.679  98.228  6.5991  87.925  7.4132  10.30268       9.924870 
1 1 1 -15 30  21 o 50.544  6.1565  333.057    73.943   231.640    104.713  433.930    104.431  39.401  10.684  56.672  7.8013  -17.27068      13.22889 
1 1 1 -15 30  22 o 46.396  6.6620  285.694    72.847   340.339    100.143  224.283    106.163  49.339  8.6820  38.420  10.889  10.91837       13.92689 
1 1 1 -15 30  23 o 48.927  6.4378  316.863    74.571   311.048    104.104  322.991    106.870  46.260  9.5895  47.094  9.6762  -0.8336296     13.62303 
1 1 1 -15 30  24 o 80.438  5.1287  828.781    99.578   844.952    134.052  808.873    148.741  79.426  7.0283  76.512  8.1367  2.914055       10.75194 
1 1 1 -15 30  25 o 76.666  5.2352  757.147    96.804   847.729    129.586  642.767    145.617  79.623  6.7717  66.732  9.2412  12.89120       11.45669 
1 1 1 -15 30  26 o 47.193  6.8177  302.159    75.807   294.720    108.606  309.228    105.860  43.664  10.400  45.222  9.9204  -1.558125      14.37254 
1 1 1 -15 30  27 o 39.002  8.1185  217.710    74.331   179.179    105.785  255.288    104.466  33.295  11.137  40.228  10.566  -6.933113      15.35171 
1 1 1 -15 30  28 o 25.179  8.9348  88.647     68.458   11.509     101.579  152.835    92.661   21.729  9.6467  31.240  10.423  -9.511059      14.20223 
1 1 1 -15 30  29 o 25.783  10.575  79.540     105.759  106.626    114.576  -76.3912   274.912  27.799  11.150  27.849  13.450  -0.4952431E-01 17.47124 
1 1 1 -15 30  30 o 34.118  11.734  194.518    117.495  144.347    126.439  511.997    318.061  30.442  11.868  42.875  18.024  -12.43238      21.57988 
1 1 1 -15 30  31 o 24.875  10.155  71.168     96.963   71.168     96.963   0.0000     0.0000   24.875  10.155  ?       ?       0.000000       10.15528 
1 1 1 -15 30  32 o 22.719  9.5523  45.726     89.368   45.726     89.368   0.0000     0.0000   22.719  9.5523  ?       ?       0.000000       9.552289 
1 1 1 -15 30  33 o 49.080  7.0633  332.657    81.692   343.614    106.263  316.823    127.740  47.660  9.5221  43.137  11.843  4.522495       15.19657 
1 1 1 -15 30  34 o 30.245  11.473  151.561    115.922  287.713    266.671  119.839    128.720  35.103  15.605  28.324  11.648  6.778177       19.47258 
1 1 1 -15 31  1  o 101.152 4.1810  1259.21    102.617  1140.59    141.418  1391.13    149.133  95.308  6.1480  105.455 5.8513  -10.14774      8.487379 
1 1 1 -15 31  2  o 35.488  5.9753  161.333    49.624   150.316    66.605   175.079    74.399   33.606  8.2330  36.191  8.5993  -2.584915      11.90505 
1 1 1 -15 31  3  o 32.840  6.1638  139.225    47.311   122.942    62.858   160.504    71.857   30.403  8.2917  34.608  8.5959  -4.204807      11.94333 
1 1 1 -15 31  4  o 61.177  6.2734  474.856    91.807   512.417    109.804  387.605    167.353  63.098  7.3072  51.536  13.295  11.56170       15.17098 
1 1 1 -15 31  5  o 29.187  8.5506  113.237    64.450   52.159     74.210   300.693    130.008  23.482  9.1093  46.050  11.632  -22.56778      14.77430 
1 1 1 -15 31  6  o 98.721  5.9055  1227.35    140.810  1183.89    173.239  1311.95    241.723  95.884  7.5061  98.586  10.255  -2.701691      12.70865 
1 1 1 -15 31  7  o 57.979  6.4955  430.147    89.809   500.859    106.664  257.924    166.462  62.262  7.1928  41.800  13.971  20.46250       15.71344 
1 1 1 -15 31  8  o 26.123  8.4091  88.426     60.556   24.153     68.350   323.012    130.580  20.537  8.4716  47.546  11.454  -27.00874      14.24684 
1 1 1 -15 31  9  o 15.636  6.4500  11.600     39.622   -26.8231   55.200   52.434     56.906   15.196  6.8971  21.906  8.0939  -6.710470      10.63397 
1 1 1 -15 31  10 f 27.939  7.8234  104.455    55.143   184.920    81.194   35.565     75.127   36.653  9.1562  22.062  8.9653  14.59071       12.81453 
1 1 1 -15 31  11 o 36.927  6.7386  178.786    58.152   83.676     86.407   257.530    78.623   26.767  9.9570  44.090  7.6252  -17.32267      12.54136 
1 1 1 -15 31  12 o 20.417  7.7446  42.190     52.825   110.626    82.988   -4.4301    68.494   28.992  9.8633  18.460  8.0676  10.53262       12.74252 
1 1 1 -15 31  13 o 36.438  6.9647  175.417    59.333   154.210    90.292   191.533    78.713   33.220  10.212  37.324  8.8296  -4.103386      13.49968 
1 1 1 -15 31  14 o 43.564  6.3187  246.056    64.842   221.378    98.891   264.668    85.880   39.446  10.242  44.253  8.3031  -4.807056      13.18460 
1 1 1 -15 31  15 o 38.494  8.9717  205.431    82.248   275.855    168.412  183.373    94.253   41.884  14.052  35.839  10.295  6.045044       17.41948 
1 1 1 -15 31  16 o 24.753  9.1000  73.047     71.786   -36.3886   156.851  102.044    80.738   25.251  11.525  27.876  9.7185  -2.625011      15.07540 
1 1 1 -15 31  17 f 60.015  7.2904  475.783    103.984  391.146    200.045  507.118    121.720  47.867  15.271  61.188  8.4217  -13.32101      17.43918 
1 1 1 -15 31  18 o 15.271  6.8565  -17.1526   52.855   61.444     79.143   -80.4281   71.012   24.050  9.3856  14.823  7.0743  9.227030       11.75305 
1 1 1 -15 31  19 o 80.256  4.8929  814.760    94.825   907.877    132.011  715.496    136.298  83.390  6.5777  72.926  7.8251  10.46438       10.22240 
1 1 1 -15 31  20 o 67.834  5.2729  588.369    86.106   539.409    121.035  638.541    122.523  62.806  8.1333  69.005  7.4351  -6.198818      11.01965 
1 1 1 -15 31  21 o 35.764  7.7452  177.574    65.266   113.425    92.354   241.573    92.245   28.538  10.347  40.682  9.5147  -12.14319      14.05695 
1 1 1 -15 31  22 o 18.714  7.6479  26.717     55.064   77.784     77.817   -24.4954   77.928   24.871  9.4080  17.976  8.1728  6.895166       12.46215 
1 1 1 -15 31  23 o 88.402  4.9759  1000.03    106.299  1098.38    143.449  880.254    158.306  90.975  6.5422  79.319  8.3508  11.65569       10.60832 
1 1 1 -15 31  24 o 45.810  6.5081  282.374    70.306   223.824    102.587  334.229    96.544   37.601  10.721  48.299  8.5509  -10.69873      13.71344 
1 1 1 -15 31  25 o 21.730  8.2395  57.237     59.779   132.861    89.064   -4.7607    80.642   29.512  10.212  19.061  8.5198  10.45143       13.29932 
1 1 1 -15 31  26 o 19.841  7.7153  43.101     53.335   55.479     80.432   33.387     71.252   22.794  9.2711  20.510  8.5704  2.284058       12.62561 
1 1 1 -15 31  27 o 27.320  12.375  52.848     176.625  -230.9833  368.098  137.742    201.313  28.109  13.964  30.949  13.668  -2.840067      19.53964 
1 1 1 -15 31  28 o 27.340  10.912  103.996    109.146  119.014    118.492  19.904     280.392  28.521  11.374  29.542  14.088  -1.021227      18.10610 
1 1 1 -15 31  29 o 25.456  10.402  78.410     101.835  74.157     107.898  113.090    308.131  25.455  10.584  31.987  15.111  -6.532091      18.44883 
1 1 1 -15 31  30 o 20.822  9.3906  -3.8873    100.425  -3.8873    100.425  0.0000     0.0000   20.822  9.3906  ?       ?       0.000000       9.390618 
1 1 1 -15 31  31 o 31.488  11.022  161.300    103.899  161.300    103.899  0.0000     0.0000   31.488  11.022  ?       ?       0.000000       11.02209 
1 1 1 -15 31  32 o 36.962  14.376  285.312    185.188  334.239    259.303  234.379    264.567  37.014  15.939  33.807  15.245  3.207039       22.05562 
1 1 1 -15 31  33 o 29.703  11.668  147.668    122.977  126.484    265.089  153.477    138.818  30.363  14.241  30.047  12.195  0.3158417      18.74910 
1 1 1 -15 32  1  o 60.616  4.4977  456.718    65.680   445.425    88.441   470.606    98.075   59.207  6.2508  60.638  6.7819  -1.431393      9.223140 
1 1 1 -15 32  2  o 23.694  8.3295  66.660     59.367   90.966     66.639   -26.8247   130.692  26.701  8.8360  24.132  10.812  2.569025       13.96332 
1 1 1 -15 32  3  o 19.537  7.7589  29.957     54.929   -44.3272   61.758   311.252    120.178  15.284  7.0684  47.183  10.739  -31.89925      12.85609 
1 1 1 -15 32  4  o 83.422  6.0517  880.844    121.663  993.255    148.680  653.036    211.657  87.992  7.0223  66.481  13.580  21.51083       15.28831 
1 1 1 -15 32  5  o 45.083  7.1584  265.522    75.688   261.229    86.572   279.445    155.920  44.156  8.3869  43.239  13.440  0.9163704      15.84240 
1 1 1 -15 32  6  o 25.259  8.5181  80.699     61.888   49.421     70.664   183.692    128.228  22.791  8.8757  36.116  12.261  -13.32446      15.13611 
1 1 1 -15 32  7  f 32.381  6.3399  137.130    48.030   115.195    63.816   165.789    72.945   29.220  8.4936  34.845  8.6643  -5.624210      12.13310 
1 1 1 -15 32  8  o 34.287  7.5139  157.253    60.785   132.363    88.665   179.325    83.494   31.189  10.186  35.932  9.4503  -4.743181      13.89468 
1 1 1 -15 32  9  o 51.428  5.5512  336.222    68.172   305.961    96.429   366.460    96.391   47.533  8.6807  52.623  7.7840  -5.090271      11.65958 
1 1 1 -15 32  10 o 83.974  4.7465  881.907    96.318   976.300    134.157  781.494    138.368  87.340  6.3745  77.353  7.4649  9.987312       9.816239 
1 1 1 -15 32  11 o 69.868  4.8524  612.550    81.751   665.965    113.528  555.020    117.820  71.892  6.5812  64.945  7.6215  6.946388       10.06974 
1 1 1 -15 32  12 o 19.156  7.4366  33.919     49.488   83.550     78.559   1.2659     63.721   26.169  9.5349  18.158  7.8599  8.010056       12.35686 
1 1 1 -15 32  13 o 46.158  7.7016  284.768    83.217   135.391    163.660  336.855    96.643   33.206  13.324  49.956  8.2617  -16.74994      15.67743 
1 1 1 -15 32  14 o 25.390  8.8382  82.390     66.761   -44.1538   153.385  111.966    74.154   24.676  11.313  28.663  9.3130  -3.986418      14.65294 
1 1 1 -15 32  15 o 23.479  8.7363  63.937     66.528   -48.9475   155.915  89.065     73.561   24.588  11.321  26.267  9.2682  -1.679138      14.63111 
1 1 1 -15 32  16 o 135.608 6.2616  2367.16    206.031  4444.44    347.869  1244.80    255.703  182.852 7.8407  91.614  11.776  91.23772       14.14707 
1 1 1 -15 32  17 o 41.541  6.7745  229.613    65.930   231.458    94.140   227.837    92.365   39.939  9.7901  39.689  9.6783  0.2503090      13.76648 
1 1 1 -15 32  18 o 49.691  5.9862  322.035    70.724   341.878    102.797  304.201    97.454   49.263  8.9287  46.367  8.9866  2.896187       12.66814 
1 1 1 -15 32  19 o 43.488  6.7232  253.004    68.655   213.251    98.638   290.360    95.617   37.532  10.447  45.054  9.0605  -7.522530      13.82885 
1 1 1 -15 32  20 o 43.125  6.7065  249.846    67.895   176.528    99.223   314.400    93.105   33.861  10.750  47.241  8.4319  -13.37930      13.66221 
1 1 1 -15 32  21 o 24.757  8.4554  84.073     60.988   135.164    86.782   34.214     85.729   30.075  10.087  22.008  9.3099  8.067001       13.72670 
1 1 1 -15 32  22 o 51.652  6.0840  353.829    74.787   304.509    102.039  411.072    109.930  45.143  9.6104  53.440  8.7831  -8.296398      13.01933 
1 1 1 -15 32  23 o 31.099  8.1900  140.579    62.656   157.007    94.910   127.889    83.417   31.564  10.549  29.073  9.8888  2.491488       14.45925 
1 1 1 -15 32  24 o 37.541  7.5819  199.608    66.686   184.583    98.853   212.155    90.337   33.757  10.731  36.916  9.8872  -3.159012      14.59158 
1 1 1 -15 32  25 o 35.901  7.7519  184.672    65.550   120.791    92.626   248.763    92.778   28.204  10.342  40.225  9.6330  -12.02059      14.13315 
1 1 1 -15 32  26 o 25.680  10.471  83.695     102.925  -1.0153    107.505  1014.85    356.429  21.398  9.6770  57.764  20.399  -36.36654      22.57809 
1 1 1 -15 32  27 o 23.475  10.188  41.770     107.641  8.2318     115.126  274.790    303.462  22.353  10.070  35.123  16.030  -12.76989      18.93100 
1 1 1 -15 32  28 o 30.866  11.101  154.384    106.022  166.771    112.574  57.154     315.386  31.730  11.436  30.724  14.729  1.005856       18.64790 
1 1 1 -15 32  29 o 20.657  8.9014  24.908     80.995   127.192    100.836  -161.0819  135.974  28.730  10.743  18.686  9.1246  10.04358       14.09471 
1 1 1 -15 32  30 o 32.765  11.039  179.034    103.944  179.034    103.944  0.0000     0.0000   32.765  11.039  ?       ?       0.000000       11.03918 
1 1 1 -15 32  31 o 35.500  15.843  316.326    277.716  316.326    277.716  0.0000     0.0000   35.500  15.843  ?       ?       0.000000       15.84322 
1 1 1 -15 32  32 o 55.231  11.767  526.168    152.868  306.884    301.674  601.929    177.320  34.013  15.692  57.069  13.085  -23.05600      20.43156 
1 1 1 -15 33  1  o 24.971  8.4953  77.978     61.563   44.859     69.309   201.798    134.013  22.304  8.7605  37.611  12.534  -15.30625      15.29241 
1 1 1 -15 33  2  o 20.225  7.9239  35.967     56.580   57.701     64.130   -40.3815   120.195  23.009  8.5742  22.417  10.176  0.5913544      13.30661 
1 1 1 -15 33  3  o 95.167  6.0675  1149.24    139.376  1162.59    170.366  1122.22    242.358  94.658  7.4784  89.287  11.451  5.371391       13.67639 
1 1 1 -15 33  4  o 28.948  8.5838  113.077    64.615   98.267     74.131   159.911    131.827  27.528  9.3224  34.271  12.372  -6.742788      15.49117 
1 1 1 -15 33  5  o 61.818  4.4959  477.246    66.974   459.843    91.841   497.012    97.878   59.797  6.4309  62.100  6.5968  -2.302544      9.212750 
1 1 1 -15 33  6  o 82.301  4.8225  848.006    95.884   959.414    139.238  747.525    132.233  86.349  6.6981  75.772  7.2820  10.57681       9.894021 
1 1 1 -15 33  7  o 40.328  6.4274  211.830    60.781   195.507    84.970   228.934    86.981   37.439  9.3745  40.734  9.0368  -3.294952      13.02100 
1 1 1 -15 33  8  o 19.931  7.7481  36.987     53.776   32.053     78.417   41.366     73.887   21.990  9.0729  22.270  8.9466  -0.2792892     12.74198 
1 1 1 -15 33  9  o 24.190  7.7431  76.309     51.399   44.625     75.925   103.115    69.835   22.680  9.0840  27.761  9.0386  -5.080639      12.81467 
1 1 1 -15 33  10 o 25.186  7.8228  84.143     52.832   97.326     78.037   72.987     71.786   27.372  9.5539  24.775  9.1013  2.596870       13.19511 
1 1 1 -15 33  11 o 63.547  6.7360  525.506    102.280  656.293    193.169  474.556    120.567  66.185  12.486  59.099  8.6653  7.086761       15.19858 
1 1 1 -15 33  12 o 55.904  7.1139  411.833    94.311   221.352    183.900  479.809    109.858  37.957  14.437  59.986  7.7274  -22.02913      16.37537 
1 1 1 -15 33  13 o 48.184  7.6276  311.760    86.208   180.310    168.841  358.114    100.262  35.286  13.726  51.239  8.3521  -15.95333      16.06716 
1 1 1 -15 33  14 o 45.228  8.0496  279.340    85.099   188.975    177.492  306.313    96.972   35.624  14.011  46.889  8.8478  -11.26458      16.57043 
1 1 1 -15 33  15 o 63.812  5.2031  519.350    79.860   481.172    116.405  553.298    109.766  59.254  8.3262  64.548  7.1273  -5.294643      10.96007 
1 1 1 -15 33  16 o 74.991  4.9649  714.869    89.830   784.125    129.576  650.784    124.644  76.852  7.0265  69.556  7.5043  7.295799       10.28040 
1 1 1 -15 33  17 o 26.814  8.0976  100.401    57.116   73.218     84.536   123.232    77.475   24.935  9.7087  29.254  9.5200  -4.318392      13.59737 
1 1 1 -15 33  18 o 38.190  7.1386  199.458    63.717   172.200    96.049   220.882    85.151   33.522  10.570  38.896  9.1716  -5.374695      13.99403 
1 1 1 -15 33  19 o 61.085  5.6177  486.120    82.330   544.851    120.242  434.284    112.963  62.488  8.1225  55.185  8.7264  7.302700       11.92164 
1 1 1 -15 33  20 o 23.769  8.4188  76.054     60.751   118.959    88.617   38.010     83.446   28.411  10.157  21.946  9.2290  6.465332       13.72342 
1 1 1 -15 33  21 o 46.579  6.5640  293.797    72.128   363.208    102.512  225.743    101.505  49.975  8.7741  37.567  10.648  12.40747       13.79724 
1 1 1 -15 33  22 o 21.397  8.0350  56.881     56.529   104.759    85.029   18.958     75.675   26.815  9.8966  19.858  8.5807  6.956707       13.09846 
1 1 1 -15 33  23 o 26.502  8.4336  103.071    61.043   83.463     89.947   119.813    83.114   25.144  9.9467  28.030  9.8555  -2.885233      14.00246 
1 1 1 -15 33  24 o 17.541  7.4885  14.806     56.347   89.004     89.079   -34.6843   72.750   25.468  9.9522  16.512  7.6489  8.955530       12.55202 
1 1 1 -15 33  25 o 22.900  9.5574  53.416     88.461   46.459     91.186   164.645    364.605  22.621  9.5872  32.556  15.666  -9.935671      18.36705 
1 1 1 -15 33  26 f 22.469  9.5605  43.719     91.293   18.767     94.396   404.632    359.005  21.270  9.3780  37.083  17.112  -15.81294      19.51325 
1 1 1 -15 33  27 o 44.947  7.4085  284.224    77.981   319.270    120.032  258.629    102.578  43.829  11.235  40.086  10.442  3.743393       15.33791 
1 1 1 -15 33  28 o 20.994  8.7761  38.823     74.757   12.633     96.018   79.134     119.124  21.065  9.3640  25.869  10.961  -4.804407      14.41593 
1 1 1 -15 33  29 o 40.731  11.514  285.979    118.847  285.979    118.847  0.0000     0.0000   40.731  11.514  ?       ?       0.000000       11.51375 
1 1 1 -15 33  30 o 37.077  16.017  377.812    263.523  377.812    263.523  0.0000     0.0000   37.077  16.017  ?       ?       0.000000       16.01655 
1 1 1 -15 33  31 o 66.767  10.408  724.235    163.111  715.924    316.313  727.245    190.375  44.576  18.287  62.724  12.938  -18.14825      22.40088 
1 1 1 -15 34  1  o 51.184  6.7282  340.069    81.535   401.752    93.894   150.923    164.419  55.475  7.1413  34.465  13.506  21.01003       15.27812 
1 1 1 -15 34  2  o 74.709  4.3529  695.312    78.566   746.398    107.255  636.163    115.410  76.647  5.8104  70.101  6.8735  6.545921       9.000297 
1 1 1 -15 34  3  o 22.886  7.3263  67.444     46.013   162.135    60.383   -63.6798   71.056   34.804  7.3793  15.629  7.3441  19.17476       10.41107 
1 1 1 -15 34  4  o 73.936  4.9018  686.534    87.438   699.607    125.530  674.213    121.864  73.270  7.1521  71.975  7.0692  1.294975       10.05610 
1 1 1 -15 34  5  o 22.836  8.3244  60.662     59.889   127.640    96.525   18.739     76.366   30.693  10.631  20.826  8.7971  9.867426       13.79843 
1 1 1 -15 34  6  o 22.500  8.1520  59.327     57.308   9.8720     88.677   94.795     75.097   21.513  9.2922  27.034  9.3758  -5.520275      13.20040 
1 1 1 -15 34  7  o 35.587  7.1102  169.052    59.247   142.778    83.439   195.772    84.143   31.903  9.8181  37.334  9.3181  -5.431143      13.53595 
1 1 1 -15 34  8  o 24.440  8.2227  77.089     57.670   89.956     83.448   65.325     79.789   26.853  9.8206  24.552  9.4674  2.301525       13.64095 
1 1 1 -15 34  9  o 72.441  6.5616  680.743    114.083  654.946    198.398  693.485    139.442  65.411  12.959  71.912  8.1345  -6.501007      15.30010 
1 1 1 -15 34  10 o 38.905  8.8178  211.430    81.317   167.169    153.859  228.586    95.788   34.309  13.168  39.846  9.9403  -5.537029      16.49892 
1 1 1 -15 34  11 o 28.885  9.0200  115.970    70.134   187.088    145.932  94.610     79.975   35.285  12.974  26.937  9.6467  8.348465       16.16759 
1 1 1 -15 34  12 o 25.245  8.8451  82.997     66.917   -55.4031   144.186  120.991    75.546   23.247  10.769  29.343  9.3868  -6.095661      14.28544 
1 1 1 -15 34  13 o 83.418  4.8146  880.347    97.037   848.721    139.684  909.845    134.902  79.833  7.2915  83.206  6.7398  -3.372353      9.929335 
1 1 1 -15 34  14 o 40.184  6.9847  217.715    65.630   147.043    100.433  270.386    86.703   31.547  10.848  43.947  8.4378  -12.40002      13.74342 
1 1 1 -15 34  15 o 22.561  8.0657  64.511     55.886   156.363    87.651   1.5911     72.545   32.366  10.080  18.855  8.2699  13.51103       13.03818 
1 1 1 -15 34  16 o 41.015  6.7645  227.183    64.972   164.943    98.967   274.327    86.132   32.737  10.765  44.048  8.3647  -11.31112      13.63276 
1 1 1 -15 34  17 f 35.574  7.3264  175.771    61.134   195.637    91.861   159.978    81.906   35.685  10.135  32.572  9.6656  3.113121       14.00492 
1 1 1 -15 34  18 o 70.668  5.1520  645.093    87.733   676.111    124.633  614.627    123.520  70.135  7.4373  66.462  7.8083  3.672447       10.78345 
1 1 1 -15 34  19 o 42.251  7.1118  246.927    70.320   111.871    105.654  354.332    94.220   27.881  10.854  49.963  8.0450  -22.08291      13.51059 
1 1 1 -15 34  20 o 28.970  8.8747  125.947    68.263   83.980     97.319   166.596    95.778   25.515  10.262  32.119  10.591  -6.603765      14.74708 
1 1 1 -15 34  21 o 31.320  8.9449  149.316    71.351   182.909    103.236  118.593    98.727   33.086  11.000  27.902  10.587  5.184107       15.26699 
1 1 1 -15 34  22 o 23.581  8.2853  78.172     58.734   103.952    87.193   56.758     79.468   26.506  9.9740  22.549  9.1984  3.956276       13.56803 
1 1 1 -15 34  23 o 27.228  10.307  112.599    93.444   112.326    96.630   116.533    366.955  27.241  10.440  31.436  15.269  -4.195486      18.49728 
1 1 1 -15 34  24 o 23.886  9.6620  70.682     86.822   81.869     89.338   -119.5391  368.403  24.794  9.8798  28.418  14.092  -3.624096      17.21055 
1 1 1 -15 34  25 o 17.710  8.2211  -35.8016   84.697   -21.1793   87.536   -250.2639  335.239  18.641  8.5458  26.268  13.094  -7.627401      15.63597 
1 1 1 -15 34  26 o 27.673  8.4087  114.303    61.451   255.320    90.043   -8.6357    84.073   40.790  9.3037  18.917  8.5561  21.87325       12.63984 
1 1 1 -15 34  27 o 25.775  9.6388  97.317     81.184   204.189    105.076  -60.9697   127.877  34.574  11.071  20.468  9.6888  14.10638       14.71227 
1 1 1 -15 34  28 o 33.980  15.294  278.489    264.767  278.489    264.767  0.0000     0.0000   33.980  15.294  ?       ?       0.000000       15.29353 
1 1 1 -15 34  29 o 27.430  13.130  36.542     248.438  36.542     248.438  0.0000     0.0000   27.430  13.130  ?       ?       0.000000       13.12975 
1 1 1 -15 34  30 o 22.240  10.190  14.662     124.184  227.829    231.085  -71.8963   147.254  31.290  14.166  20.843  10.011  10.44713       17.34638 
1 1 1 -15 35  1  o 68.600  4.9714  592.633    82.188   637.152    114.427  545.193    118.123  70.045  6.8192  64.150  7.7455  5.894417       10.31958 
1 1 1 -15 35  2  o 66.814  5.1281  563.908    82.501   624.776    116.341  502.337    117.011  69.186  7.0279  61.305  8.0617  7.880520       10.69495 
1 1 1 -15 35  3  o 49.868  6.0977  321.106    72.245   342.376    105.734  302.480    98.943   49.812  9.0827  46.777  9.0446  3.035213       12.81801 
1 1 1 -15 35  4  o 21.322  8.1334  47.397     58.469   84.060     89.837   20.455     77.011   26.673  10.104  20.936  8.8384  5.736835       13.42409 
1 1 1 -15 35  5  o 21.980  8.1765  54.335     58.269   125.740    92.016   6.5319     75.289   30.243  10.385  19.811  8.5595  10.43197       13.45758 
1 1 1 -15 35  6  o 41.455  6.9686  228.080    67.608   283.666    101.042  183.020    90.973   44.784  9.5878  35.628  10.074  9.156460       13.90741 
1 1 1 -15 35  7  o 58.672  7.0400  453.758    98.223   433.026    173.857  463.478    119.041  51.904  13.630  58.144  8.7056  -6.239815      16.17290 
1 1 1 -15 35  8  o 27.785  8.9538  105.979    68.641   -46.9804   150.023  146.477    77.194   24.074  11.092  32.100  9.3447  -8.025515      14.50393 
1 1 1 -15 35  9  o 50.115  7.7307  339.534    90.981   463.398    168.217  288.318    108.168  54.055  12.987  44.435  10.242  9.619591       16.54026 
1 1 1 -15 35  10 o 12.819  6.1993  -84.6997   58.851   -153.3833  136.577  -69.0390   65.216   19.681  9.4994  14.397  6.8452  5.284808       11.70876 
1 1 1 -15 35  11 o 27.799  8.1444  107.774    58.471   128.356    82.755   87.257     82.625   29.908  9.8442  26.133  9.7336  3.774979       13.84381 
1 1 1 -15 35  12 o 42.882  6.7845  246.523    68.243   316.016    101.976  190.160    91.838   46.871  9.2949  35.625  10.139  11.24575       13.75482 
1 1 1 -15 35  13 o 63.163  5.3267  514.035    80.875   472.264    118.284  550.706    110.828  57.874  8.6919  63.834  7.2859  -5.960407      11.34164 
1 1 1 -15 35  14 o 14.651  6.6447  -19.5911   51.103   50.767     87.997   -55.3943   62.772   23.287  9.6099  14.493  6.8386  8.793943       11.79476 
1 1 1 -15 35  15 o 23.511  8.1668  74.439     56.988   86.553     93.452   67.267     71.906   25.983  10.182  23.451  9.0019  2.531712       13.59110 
1 1 1 -15 35  16 o 24.788  8.3735  86.094     59.807   136.848    95.451   53.289     76.738   29.855  10.555  22.486  9.0880  7.368828       13.92837 
1 1 1 -15 35  17 o 76.112  5.0744  749.504    93.176   876.521    134.086  630.894    129.572  80.204  6.9590  66.624  8.1875  13.57983       10.74535 
1 1 1 -15 35  18 o 17.016  7.5104  -0.1520    60.707   -94.5493   88.017   85.498     83.840   15.969  7.6877  25.098  9.6973  -9.128669      12.37493 
1 1 1 -15 35  19 o 20.614  8.2763  45.309     63.188   37.060     90.269   53.234     88.480   21.946  9.4263  22.840  9.5478  -0.8947868     13.41698 
1 1 1 -15 35  20 o 33.483  8.3417  167.425    67.520   130.404    93.500   207.771    97.609   28.615  10.406  35.380  10.564  -6.764982      14.82802 
1 1 1 -15 35  21 o 18.954  7.9766  26.751     62.409   -82.9119   86.712   144.605    89.892   16.072  7.7097  29.818  10.263  -13.74591      12.83595 
1 1 1 -15 35  22 f 39.697  11.376  273.486    115.209  197.378    120.664  1058.62    387.555  33.093  11.849  52.217  20.650  -19.12457      23.80809 
1 1 1 -15 35  23 o 34.914  11.582  216.628    114.474  154.712    119.833  862.792    387.121  30.094  11.603  45.973  19.627  -15.87846      22.80050 
1 1 1 -15 35  24 o 23.995  8.5082  82.399     62.065   104.626    83.573   55.064     92.678   26.367  9.7955  23.043  9.7101  3.323986       13.79267 
1 1 1 -15 35  25 o 15.301  6.9464  -16.0843   56.030   -32.3444   80.324   -0.6747    78.195   17.340  8.0341  18.688  8.3687  -1.347397      11.60092 
1 1 1 -15 35  26 o 28.575  9.5536  129.245    77.843   113.262    95.013   161.879    135.762  27.041  10.355  30.294  12.142  -3.252949      15.95853 
1 1 1 -15 35  27 o 28.821  13.474  108.832    234.042  108.832    234.042  0.0000     0.0000   28.821  13.474  ?       ?       0.000000       13.47416 
1 1 1 -15 35  28 o 30.750  14.145  204.594    242.578  204.594    242.578  0.0000     0.0000   30.750  14.145  ?       ?       0.000000       14.14479 
1 1 1 -15 36  1  o 80.802  4.7822  821.110    93.342   925.560    128.873  705.849    135.377  84.717  6.3148  72.819  7.7824  11.89798       10.02212 
1 1 1 -15 36  2  o 80.274  4.9941  813.498    96.793   900.095    138.166  730.039    135.641  83.002  6.9236  74.124  7.6517  8.877884       10.31916 
1 1 1 -15 36  3  o 46.968  6.4606  288.728    71.679   303.996    107.782  276.621    95.980   46.090  9.9308  44.376  9.2153  1.713902       13.54777 
1 1 1 -15 36  4  o 38.808  7.7474  205.083    70.398   221.943    105.726  191.655    94.357   38.655  10.836  36.227  10.266  2.428204       14.92653 
1 1 1 -15 36  5  o 15.419  7.1414  -41.7875   63.382   -163.9305  120.921  4.4837     74.426   18.038  8.7621  19.470  8.4611  -1.432495      12.18051 
1 1 1 -15 36  6  o 23.057  8.8083  59.443     68.638   -1.5970    134.556  80.913     79.801   24.506  10.976  25.611  9.5606  -1.105030      14.55587 
1 1 1 -15 36  7  o 57.950  7.0318  446.282    96.851   499.304    183.903  425.933    113.930  54.962  13.808  55.320  8.7812  -0.3581047     16.36347 
1 1 1 -15 36  8  o 42.220  8.5608  250.268    84.699   167.767    158.304  283.359    100.256  33.635  13.231  44.243  9.6138  -10.60781      16.35460 
1 1 1 -15 36  9  o 28.472  8.3137  114.216    61.018   206.943    89.088   32.278     83.745   37.474  9.7165  21.967  9.2420  15.50752       13.40987 
1 1 1 -15 36  10 o 18.111  7.6568  15.262     57.928   99.694     86.022   -54.7972   78.358   27.108  9.9622  16.643  7.7858  10.46500       12.64369 
1 1 1 -15 36  11 o 48.192  6.3578  308.769    72.529   329.178    101.924  287.833    103.231  47.714  9.1364  43.889  9.9263  3.825535       13.49092 
1 1 1 -15 36  12 o 34.642  7.5794  168.269    61.939   44.817     93.291   265.583    82.828   23.192  9.7560  43.324  8.1790  -20.13174      12.73092 
1 1 1 -15 36  13 o 36.841  7.6043  190.863    65.723   140.387    98.226   231.779    88.436   30.234  10.705  39.347  9.3931  -9.112799      14.24202 
1 1 1 -15 36  14 o 37.428  7.1568  194.847    62.625   241.745    97.844   162.301    81.508   39.353  10.173  32.511  9.6408  6.841461       14.01526 
1 1 1 -15 36  15 o 17.033  7.3418  9.1968     55.126   77.342     93.062   -27.6411   68.423   24.920  10.030  16.402  7.5327  8.518042       12.54386 
1 1 1 -15 36  16 o 22.933  8.2364  71.704     58.340   53.084     94.969   82.990     73.936   23.274  9.8196  24.515  9.1924  -1.241503      13.45083 
1 1 1 -15 36  17 o 22.008  8.4721  61.093     63.811   -96.1841   91.270   211.483    89.249   16.172  7.7958  36.440  9.8562  -20.26736      12.56661 
1 1 1 -15 36  18 o 19.160  8.0282  29.216     62.770   35.710     84.625   21.275     93.591   21.319  9.1412  21.131  9.3262  0.1879330      13.05909 
1 1 1 -15 36  19 o 17.138  7.5065  6.3130     59.589   69.764     82.956   -61.3317   85.653   23.455  9.4596  16.668  7.9017  6.786486       12.32564 
1 1 1 -15 36  20 o 31.953  10.949  176.549    102.277  206.621    112.434  32.302     246.245  33.957  11.481  27.531  13.149  6.426691       17.45571 
1 1 1 -15 36  21 o 32.301  11.025  181.628    103.683  221.368    111.837  -61.4445   276.591  35.195  11.437  26.548  12.974  8.646950       17.29582 
1 1 1 -15 36  22 o 42.176  11.273  307.580    117.581  285.870    123.329  524.338    389.695  39.713  11.878  36.978  17.319  2.735062       21.00094 
1 1 1 -15 36  23 o 16.695  7.3969  0.0154     59.439   -76.6189   78.452   103.284    91.070   15.315  7.3430  26.196  10.111  -10.88195      12.49603 
1 1 1 -15 36  24 o 14.348  6.7282  -40.6712   59.125   -67.2803   75.168   2.5065     95.751   15.255  7.2799  20.240  9.1450  -4.985252      11.68878 
1 1 1 -15 36  25 o 11.719  5.7845  -110.4130  59.508   -108.6387  73.914   -113.6820  100.328  13.677  6.6889  16.386  7.9646  -2.708922      10.40074 
1 1 1 -15 36  26 o 20.900  10.247  -147.6891  176.778  -147.6891  176.778  0.0000     0.0000   20.900  10.247  ?       ?       0.000000       10.24741 
1 1 1 -15 36  27 o ?       ?       -551.7238  147.938  -551.7238  147.938  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -15 37  1  o 30.385  8.3451  128.805    63.409   181.192    92.665   82.676     86.954   35.162  10.239  26.152  9.9324  9.009956       14.26492 
1 1 1 -15 37  2  o 24.255  9.2094  68.554     74.743   -3.0252    138.541  97.940     88.770   24.727  11.101  27.440  10.115  -2.712891      15.01823 
1 1 1 -15 37  3  o 21.113  8.6609  34.324     70.946   96.177     126.982  6.2540     85.543   28.827  11.676  20.674  9.0262  8.152685       14.75840 
1 1 1 -15 37  4  o 38.810  9.3004  216.849    86.435   326.667    157.249  169.304    103.468  44.248  13.452  33.598  11.005  10.64968       17.38041 
1 1 1 -15 37  5  f 75.971  6.6930  760.777    122.116  704.171    204.716  792.045    152.149  66.111  13.224  75.843  8.4093  -9.732834      15.67119 
1 1 1 -15 37  6  o 77.837  6.7664  801.991    126.523  398.700    213.586  1020.01    157.041  45.502  15.810  87.015  7.5117  -41.51223      17.50392 
1 1 1 -15 37  7  o 64.354  5.4448  534.391    84.223   499.480    117.251  571.608    121.060  59.966  8.2792  64.548  7.8940  -4.581959      11.43943 
1 1 1 -15 37  8  o 49.799  6.0753  326.967    71.888   406.571    99.335   239.432    104.166  54.325  7.7562  39.350  10.650  14.97462       13.17503 
1 1 1 -15 37  9  o 20.061  7.7199  43.987     52.967   35.251     76.302   52.112     73.585   21.292  8.8805  22.349  8.9460  -1.057201      12.60534 
1 1 1 -15 37  10 o 21.096  7.9449  53.009     55.348   57.596     80.249   48.848     76.437   23.118  9.3109  22.204  9.0352  0.9136925      12.97414 
1 1 1 -15 37  11 o 43.576  6.4937  256.787    66.562   265.452    93.864   248.021    94.405   42.044  9.4330  40.311  9.7567  1.732368       13.57112 
1 1 1 -15 37  12 o 52.934  5.8592  371.775    73.994   334.684    106.730  406.100    102.674  46.931  9.6936  53.310  8.2004  -6.378944      12.69694 
1 1 1 -15 37  13 o 20.629  8.0086  49.145     57.393   45.761     87.306   51.720     76.162   22.401  9.4312  22.094  9.0081  0.3060760      13.04192 
1 1 1 -15 37  14 o 35.351  7.7361  180.677    64.514   84.106     95.720   261.061    87.330   25.236  10.167  41.666  8.9080  -16.42998      13.51754 
1 1 1 -15 37  15 o 22.613  8.6613  66.975     66.477   128.680    88.098   -14.6154   101.304  28.446  10.131  20.052  9.1931  8.393713       13.68057 
1 1 1 -15 37  16 o 29.223  8.8729  132.292    68.442   119.983    99.373   143.400    94.401   27.535  10.579  29.441  10.487  -1.905718      14.89659 
1 1 1 -15 37  17 o 19.903  8.1540  39.929     62.785   20.400     90.371   58.150     87.292   20.695  9.1474  22.745  9.4936  -2.050726      13.18346 
1 1 1 -15 37  18 f 19.993  8.1463  41.950     62.241   40.766     87.050   43.188     89.027   21.577  9.2620  21.843  9.3712  -0.2667408     13.17590 
1 1 1 -15 37  19 o 26.558  10.448  109.928    98.738   59.636     107.934  367.901    244.453  23.716  10.247  36.397  15.569  -12.68091      18.63911 
1 1 1 -15 37  20 o 21.702  9.4204  37.964     92.052   73.561     99.846   -163.6942  237.645  24.183  10.129  23.516  11.599  0.6664600      15.39848 
1 1 1 -15 37  21 o 16.200  7.3411  -12.4097   62.226   -33.8667   88.949   8.1555     87.081   17.982  8.3731  19.758  8.8408  -1.776522      12.17655 
1 1 1 -15 37  22 o 11.774  5.7467  -82.7560   53.760   -105.1702  73.527   -57.0093   78.804   13.732  6.7064  16.015  7.5883  -2.283350      10.12711 
1 1 1 -15 37  23 f 12.586  6.0801  -70.6206   56.249   -133.7099  74.644   12.283     85.567   13.042  6.4451  19.796  8.8174  -6.753479      10.92176 
1 1 1 -15 37  24 o 33.661  11.583  212.439    114.512  137.535    212.172  243.226    136.024  28.745  13.225  34.636  12.558  -5.891268      18.23711 
1 1 1 -15 37  25 o 37.757  15.713  436.541    238.100  436.541    238.100  0.0000     0.0000   37.757  15.713  ?       ?       0.000000       15.71257 
1 1 1 -15 37  26 o 18.415  9.1335  -190.9454  155.029  -190.9454  155.029  0.0000     0.0000   18.415  9.1335  ?       ?       0.000000       9.133473 
1 1 1 -15 38  1  o 18.847  8.1870  5.4088     69.629   -58.5087   133.121  29.481     81.694   22.042  10.257  21.646  9.1187  0.3960056      13.72426 
1 1 1 -15 38  2  o 49.213  8.1192  335.037    93.570   334.860    167.501  335.117    112.814  43.839  13.972  47.701  10.064  -3.862034      17.21921 
1 1 1 -15 38  3  o 98.693  6.4046  1278.23    152.541  1305.51    248.820  1261.81    193.081  92.875  11.272  95.502  8.4183  -2.627129      14.06893 
1 1 1 -15 38  4  f 66.034  6.9741  584.255    110.052  654.293    189.016  548.336    135.361  63.635  12.687  61.797  9.3169  1.838089       15.74038 
1 1 1 -15 38  5  f 78.650  5.1881  794.767    98.453   923.558    140.270  669.716    138.219  82.925  7.0378  69.158  8.4100  13.76644       10.96624 
1 1 1 -15 38  6  o 39.417  7.7963  217.985    71.924   247.415    106.569  193.365    97.471   39.687  10.785  35.193  10.567  4.493782       15.09905 
1 1 1 -15 38  7  o 32.076  8.1726  148.376    63.787   154.803    88.857   141.543    91.625   31.698  10.184  30.416  10.364  1.282568       14.53041 
1 1 1 -15 38  8  o 28.990  8.4633  122.972    63.239   204.944    91.915   49.290     87.143   36.278  10.080  22.862  9.5092  13.41532       13.85763 
1 1 1 -15 38  9  o 13.946  6.4333  -28.2609   50.681   -100.9031  79.441   21.596     65.813   14.828  7.1789  19.136  8.1293  -4.307622      10.84540 
1 1 1 -15 38  10 f 28.868  8.1037  122.186    59.087   50.231     89.408   177.980    78.730   22.838  9.5759  34.073  9.2743  -11.23501      13.33081 
1 1 1 -15 38  11 o 22.685  8.3405  69.043     60.305   74.582     89.634   64.462     81.512   24.369  9.8313  23.259  9.3783  1.109495       13.58700 
1 1 1 -15 38  12 o 29.255  8.6297  129.925    65.449   158.448    99.584   108.237    86.837   30.825  10.791  26.741  9.9749  4.084793       14.69485 
1 1 1 -15 38  13 o 18.204  7.9958  8.8825     68.035   31.880     92.781   -17.8666   100.063  21.584  9.4125  19.732  9.0796  1.852137       13.07800 
1 1 1 -15 38  14 o 28.609  9.1475  129.001    71.750   101.197    95.594   164.874    108.582  25.983  10.262  30.657  11.204  -4.674360      15.19306 
1 1 1 -15 38  15 o 16.547  7.5051  -11.9427   65.216   -56.6513   86.390   47.292     99.439   16.802  7.9564  22.607  9.8021  -5.805408      12.62478 
1 1 1 -15 38  16 o 15.563  7.2083  -28.5520   64.581   -21.4642   85.162   -38.1438   99.069   18.076  8.3387  18.620  8.7245  -0.5442162     12.06859 
1 1 1 -15 38  17 o 18.001  8.3289  -24.2258   85.897   -34.9294   93.992   30.007     211.573  18.283  8.5447  26.027  12.362  -7.744099      15.02738 
1 1 1 -15 38  18 o 18.288  8.5467  -34.7314   94.025   3.2302     102.818  -228.6232  232.369  20.548  9.3597  22.157  11.021  -1.609270      14.45945 
1 1 1 -15 38  19 o 19.995  9.0885  1.0204     96.286   51.372     105.217  -258.3557  238.807  23.002  10.027  22.046  11.000  0.9560928      14.88423 
1 1 1 -15 38  20 o 22.369  8.5629  68.343     64.952   85.447     91.127   50.681     92.603   24.554  9.9104  22.364  9.5751  2.189686       13.78040 
1 1 1 -15 38  21 o 16.398  7.3518  -4.4643    60.532   -53.9547   83.700   49.802     87.646   16.569  7.8420  22.011  9.3668  -5.442070      12.21608 
1 1 1 -15 38  22 o 32.132  8.9123  164.403    71.917   216.182    94.392   92.755     111.035  35.441  10.338  25.338  10.650  10.10343       14.84244 
1 1 1 -15 38  23 o 35.653  11.612  243.499    115.263  235.694    214.509  246.668    136.670  31.140  13.909  34.261  12.562  -3.120720      18.74200 
1 1 1 -15 38  24 o 35.556  14.999  384.100    221.516  384.100    221.516  0.0000     0.0000   35.556  14.999  ?       ?       0.000000       14.99906 
1 1 1 -15 39  1  o 70.557  6.8099  665.604    115.138  574.250    202.202  709.438    140.064  56.482  14.635  71.390  8.2369  -14.90796      16.79379 
1 1 1 -15 39  2  o 77.661  5.1357  775.322    96.229   797.686    137.676  753.960    134.554  76.398  7.5246  74.202  7.5798  2.196136       10.68053 
1 1 1 -15 39  3  o 33.751  8.2217  163.883    66.708   219.789    99.815   118.757    89.676   37.457  10.539  28.467  10.213  8.989433       14.67548 
1 1 1 -15 39  4  o 21.599  8.2863  54.777     60.906   11.335     93.411   86.904     80.330   21.134  9.3230  25.422  9.5720  -4.287291      13.36192 
1 1 1 -15 39  5  o 18.981  7.8753  27.030     59.558   107.586    90.197   -35.2480   79.306   27.291  10.169  17.376  8.0268  9.914492       12.95510 
1 1 1 -15 39  6  o 42.514  7.2307  251.705    71.919   286.000    104.386  220.716    99.226   42.745  10.206  37.061  10.536  5.683731       14.66832 
1 1 1 -15 39  7  o 41.167  7.0946  236.184    68.309   224.435    92.322   250.397    101.542  37.770  9.9391  39.478  10.440  -1.708561      14.41477 
1 1 1 -15 39  8  o 26.385  8.6443  103.245    63.838   20.152     88.993   191.325    91.625   20.888  9.1607  34.381  10.228  -13.49304      13.73042 
1 1 1 -15 39  9  o 19.379  7.7416  39.254     54.983   99.394     82.390   -9.0377    73.829   25.944  9.7086  17.830  8.0455  8.114128       12.60901 
1 1 1 -15 39  10 o 50.754  6.5295  354.676    78.547   295.424    111.158  413.766    111.005  41.935  10.844  52.174  9.0993  -10.23958      14.15590 
1 1 1 -15 39  11 o 17.569  7.8066  1.9957     66.664   -10.4751   87.764   19.005     102.496  18.929  8.6321  21.447  9.5944  -2.517796      12.90605 
1 1 1 -15 39  12 f 26.874  9.1009  113.356    70.651   176.049    93.851   31.360     107.331  31.999  10.481  22.197  9.8820  9.802044       14.40506 
1 1 1 -15 39  13 o 20.169  8.3952  40.569     67.998   27.015     90.387   58.243     103.210  20.840  9.1832  23.246  10.033  -2.405188      13.60090 
1 1 1 -15 39  14 o 15.084  7.0697  -38.8056   65.130   -133.4946  85.088   95.173     101.213  14.186  6.9859  25.279  10.354  -11.09320      12.49054 
1 1 1 -15 39  15 o 16.651  7.9431  -65.0701   89.297   -75.8901   97.329   -7.5141    224.478  17.047  8.1750  25.267  12.191  -8.220304      14.67847 
1 1 1 -15 39  16 o 14.999  7.3689  -132.5414  92.871   -82.3625   102.387  -365.4795  220.600  17.285  8.3138  19.783  9.9656  -2.498175      12.97816 
1 1 1 -15 39  17 o 22.492  9.7859  49.981     99.791   42.385     109.718  86.351     240.083  22.588  10.027  27.491  13.089  -4.902292      16.48830 
1 1 1 -15 39  18 o 28.771  9.1925  134.200    72.467   144.527    94.869   119.733    112.286  28.885  10.485  26.935  10.955  1.950470       15.16379 
1 1 1 -15 39  19 o 23.108  8.8695  76.395     69.802   104.896    91.305   36.310     108.283  25.770  10.074  22.247  9.9133  3.522749       14.13384 
1 1 1 -15 39  20 o 21.371  8.5881  57.455     68.105   0.8368     93.724   120.798    99.133   19.624  8.9379  26.865  10.499  -7.240894      13.78800 
1 1 1 -15 39  21 o 23.296  9.5941  74.553     87.489   162.371    179.748  47.290     100.152  28.687  12.779  22.181  9.7231  6.505806       16.05710 
1 1 1 -15 39  22 o 21.294  9.1627  47.593     85.565   307.060    177.935  -30.4545   97.589   34.495  13.875  18.389  8.6299  16.10592       16.33944 
1 1 1 -15 39  23 o 15.741  7.9638  -344.9099  150.981  -344.9099  150.981  0.0000     0.0000   15.741  7.9638  ?       ?       0.000000       7.963758 
1 1 1 -15 40  1  o 30.671  8.2864  137.331    63.126   164.789    99.008   118.524    81.941   32.129  10.774  28.181  9.7926  3.948524       14.55946 
1 1 1 -15 40  2  o 25.437  8.4903  92.780     61.479   206.089    91.944   1.1523     82.681   36.201  10.090  19.494  8.6762  16.70766       13.30725 
1 1 1 -15 40  3  o 21.029  8.2195  50.694     60.773   132.082    91.775   -12.8650   81.102   29.129  10.344  18.543  8.3939  10.58573       13.32140 
1 1 1 -15 40  4  o 27.030  8.8227  108.977    66.522   158.554    100.984  70.972     88.417   31.088  10.867  24.110  9.7512  6.977190       14.60084 
1 1 1 -15 40  5  o 60.258  5.8931  485.341    85.062   500.536    125.633  472.478    115.585  57.540  9.3171  56.585  8.6968  0.9544373      12.74534 
1 1 1 -15 40  6  o 41.134  7.3570  240.675    70.734   269.342    100.368  212.388    99.701   40.868  10.164  35.555  10.690  5.312672       14.75062 
1 1 1 -15 40  7  o 27.092  8.3949  110.918    60.884   95.084     82.973   129.388    89.615   25.419  9.6907  28.322  10.204  -2.903732      14.07251 
1 1 1 -15 40  8  o 28.008  8.6968  121.285    65.302   68.406     89.888   180.382    95.027   23.510  9.7081  32.495  10.542  -8.984264      14.33099 
1 1 1 -15 40  9  o 20.671  8.2577  50.494     62.559   95.762     90.881   9.7271     86.244   25.324  10.004  19.690  8.8051  5.633722       13.32736 
1 1 1 -15 40  10 o 29.364  9.1640  139.116    72.403   143.181    94.385   133.303    112.863  28.873  10.462  27.894  11.108  0.9788456      15.25885 
1 1 1 -15 40  11 o 25.291  9.0875  100.069    71.028   114.505    93.593   80.463     109.073  26.461  10.240  24.503  10.439  1.957954       14.62255 
1 1 1 -15 40  12 o 25.404  9.0160  101.879    69.709   128.918    92.118   65.647     106.634  27.494  10.270  23.517  10.174  3.976919       14.45610 
1 1 1 -15 40  13 o 21.356  9.4544  33.968     96.904   -40.0169   106.310  397.415    235.626  18.879  8.9054  36.052  15.350  -17.17294      17.74642 
1 1 1 -15 40  14 o 29.724  11.072  163.984    106.905  -13.8831   117.988  979.620    252.660  20.563  9.5980  63.864  16.262  -43.30051      18.88283 
1 1 1 -15 40  15 o 14.374  7.1123  -151.7919  91.945   -185.0951  101.081  7.8643     221.319  14.544  7.2401  25.146  12.126  -10.60212      14.12306 
1 1 1 -15 40  16 o 18.942  8.1676  25.647     68.276   25.535     90.420   25.796     104.141  20.525  9.1074  21.362  9.6052  -0.8368530     13.23645 
1 1 1 -15 40  17 o 14.570  6.8824  -45.2750   63.900   -24.7293   82.428   -76.2169   101.156  17.481  8.1131  17.287  8.3020  0.1932259      11.60795 
1 1 1 -15 40  18 o 19.756  8.4239  34.783     71.146   -29.3554   95.969   113.045    106.011  18.434  8.6212  26.166  10.643  -7.731997      13.69680 
1 1 1 -15 40  19 o 15.912  7.6416  -71.9569   85.709   87.164     174.637  -122.4451  98.371   25.875  11.938  15.659  7.6707  10.21639       14.19025 
1 1 1 -15 40  20 o 22.891  9.9272  64.635     102.031  33.793     193.356  76.538     120.116  24.530  11.698  24.033  10.588  0.4970131      15.77809 
1 1 1 -15 40  21 o 15.563  7.5756  -95.6956   91.629   -142.7117  180.195  -79.2990   106.414  20.224  9.9976  17.285  8.3533  2.938745       13.02801 
1 1 1 -15 41  1  o 42.583  7.0183  253.327    69.990   358.428    107.268  175.412    92.358   48.377  9.4774  32.733  10.369  15.64385       14.04778 
1 1 1 -15 41  2  o 21.616  8.1871  60.022     58.977   22.323     95.519   83.249     74.975   21.359  9.4246  24.372  9.2309  -3.012629      13.19209 
1 1 1 -15 41  3  f 72.635  5.3760  696.599    94.074   825.380    135.683  577.386    130.546  76.414  7.4111  61.951  8.9436  14.46289       11.61515 
1 1 1 -15 41  4  o 37.163  8.0803  205.162    70.784   232.901    108.540  184.634    93.372   36.362  11.199  33.067  10.421  3.294281       15.29750 
1 1 1 -15 41  5  o 16.382  7.3018  -2.3727    58.790   -70.0306   90.690   46.668     77.211   16.762  7.9985  21.315  8.9154  -4.553049      11.97750 
1 1 1 -15 41  6  o 29.547  8.9212  138.469    69.331   87.829     98.888   187.425    97.230   24.885  10.218  32.701  10.666  -7.816217      14.77094 
1 1 1 -15 41  7  o 41.045  7.5907  247.492    72.814   187.436    106.933  299.410    99.424   31.917  11.181  42.808  9.7854  -10.89077      14.85857 
1 1 1 -15 41  8  o 18.080  7.7695  21.218     61.374   78.585     94.192   -21.1075   80.906   23.871  9.9039  17.530  8.1011  6.341064       12.79510 
1 1 1 -15 41  9  o 26.496  8.8508  112.639    66.812   93.528     94.118   132.052    94.858   24.743  10.042  27.571  10.397  -2.828184      14.45487 
1 1 1 -15 41  10 o 24.235  8.6101  91.213     63.590   97.476     92.268   85.548     87.760   24.899  9.9995  23.980  9.7093  0.9187756      13.93771 
1 1 1 -15 41  11 o 27.125  10.872  130.939    108.828  -24.3154   119.382  894.385    264.732  20.153  9.4854  55.279  17.560  -35.12580      19.95813 
1 1 1 -15 41  12 o 42.940  11.441  344.007    121.352  299.404    136.323  514.268    266.346  37.425  12.642  37.551  16.162  -0.1257057     20.51893 
1 1 1 -15 41  13 o 16.588  7.9274  -62.6244   89.798   -82.1916   97.439   47.661     231.328  16.656  8.0353  25.782  12.424  -9.126144      14.79597 
1 1 1 -15 41  14 o 24.048  8.9796  90.000     70.409   76.721     93.686   107.235    106.731  23.462  9.8177  25.600  10.575  -2.137476      14.43003 
1 1 1 -15 41  15 o 36.577  8.9824  216.145    79.137   203.082    108.077  231.244    116.197  32.495  11.249  34.150  11.671  -1.654579      16.20962 
1 1 1 -15 41  16 o 19.426  8.2567  34.745     67.951   87.760     89.460   -37.5545   104.472  24.089  9.7854  18.681  8.8172  5.407589       13.17181 
1 1 1 -15 41  17 o 20.813  8.5471  53.235     69.191   83.138     90.872   11.983     106.732  23.707  9.7722  20.642  9.4534  3.064539       13.59647 
1 1 1 -15 41  18 o 31.566  11.304  199.029    109.811  549.967    208.618  64.527     129.152  43.820  15.592  23.604  10.647  20.21630       18.88050 
1 1 1 -15 41  19 o 19.948  9.1378  12.302     99.801   31.254     203.740  6.3192     114.476  24.149  11.643  20.518  9.5357  3.630630       15.04928 
1 1 1 -15 41  20 o 27.487  10.901  153.122    108.296  240.842    219.602  124.934    124.486  28.606  13.265  25.582  11.030  3.024540       17.25115 
1 1 1 -15 42  1  o 31.078  8.4155  148.267    65.022   181.781    105.639  127.827    82.501   31.938  11.118  28.052  9.8216  3.885283       14.83467 
1 1 1 -15 42  2  o 50.710  6.3238  355.303    76.119   515.245    115.792  233.585    101.013  58.681  8.3696  36.653  10.695  22.02764       13.58072 
1 1 1 -15 42  3  o 20.465  8.2383  49.127     62.788   166.998    106.694  -13.3198   77.659   30.348  11.104  17.668  8.0812  12.68007       13.73301 
1 1 1 -15 42  4  o 28.316  8.8596  128.509    67.625   75.900     111.138  159.439    85.217   24.259  10.441  30.507  9.9871  -6.247816      14.44808 
1 1 1 -15 42  5  o 72.493  5.6415  712.274    98.451   832.464    147.054  614.644    132.536  74.093  8.3238  62.674  8.9713  11.41858       12.23800 
1 1 1 -15 42  6  o 60.404  6.1358  506.414    88.680   605.277    126.922  412.117    123.956  62.580  8.5848  48.481  10.813  14.09969       13.80624 
1 1 1 -15 42  7  o 16.702  7.3342  9.4502     57.203   -18.8356   84.270   33.621     77.900   17.759  8.2284  19.994  8.6725  -2.235538      11.95490 
1 1 1 -15 42  8  o 15.691  7.1637  -12.4206   60.662   1.7726     87.200   -25.7305   84.443   18.882  8.6080  17.433  8.1313  1.448109       11.84129 
1 1 1 -15 42  9  o 21.252  9.5948  29.779     105.163  29.779     105.163  0.0000     0.0000   21.252  9.5948  ?       ?       0.000000       9.594818 
1 1 1 -15 42  10 o 37.983  11.342  278.130    112.516  261.364    119.328  412.529    337.847  35.780  11.823  31.593  15.172  4.186747       19.23473 
1 1 1 -15 42  11 o 23.424  9.9114  78.228     97.201   112.937    105.656  -112.9795  247.985  25.666  10.553  23.190  11.510  2.475985       15.61598 
1 1 1 -15 42  12 o 22.437  8.5746  74.931     65.060   -7.6055    104.214  127.644    83.283   19.615  9.1100  27.055  9.8235  -7.439838      13.39750 
1 1 1 -15 42  13 o 16.375  7.4727  -10.1250   65.917   -28.9686   98.366   5.2345     88.808   18.419  8.6506  19.136  8.7098  -0.7172432     12.27576 
1 1 1 -15 42  14 o 15.222  7.1211  -32.1130   65.549   -47.7139   86.343   -10.8896   100.707  16.708  7.9243  19.261  8.9489  -2.552841      11.95311 
1 1 1 -15 42  15 o 24.577  9.1730  98.483     73.457   88.966     100.590  109.358    107.524  24.084  10.131  25.385  10.561  -1.301439      14.63437 
1 1 1 -15 42  16 o 30.235  11.217  184.850    109.505  150.078    212.582  197.410    127.760  27.094  12.722  30.167  11.880  -3.073254      17.40636 
1 1 1 -15 42  17 o 23.067  10.319  68.704     118.535  0.0000     0.0000   68.704     118.535  ?       ?       23.067  10.319  0.000000       10.31853 
1 1 1 -15 42  18 o 34.909  11.636  262.042    115.494  122.817    227.037  310.648    134.148  25.589  12.325  36.370  12.536  -10.78095      17.58016 
1 1 1 -15 43  1  o 19.431  8.3163  31.633     69.807   -67.2452   100.976  122.150    96.613   17.508  8.3779  26.772  10.391  -9.263294      13.34806 
1 1 1 -15 43  2  o 22.779  8.8731  75.568     70.636   56.331     100.857  94.088     98.958   22.549  9.8240  24.705  10.192  -2.155573      14.15613 
1 1 1 -15 43  3  o 18.663  8.1411  22.517     69.454   43.300     100.481  3.5015     96.112   21.748  9.6276  19.621  8.9802  2.127390       13.16569 
1 1 1 -15 43  4  o 19.951  8.4473  41.347     70.678   -13.4564   102.670  90.711     97.443   19.294  8.9879  24.221  10.063  -4.927397      13.49267 
1 1 1 -15 43  5  o 22.179  8.8538  70.903     71.867   119.797    121.491  44.585     89.134   26.002  11.046  21.100  9.2129  4.901987       14.38353 
1 1 1 -15 43  6  o 20.741  9.3519  28.370     99.524   14.850     104.989  148.169    312.522  20.441  9.3666  27.359  13.456  -6.918873      16.39540 
1 1 1 -15 43  7  o 19.029  8.7531  0.0001     92.897   0.0001     92.897   0.0000     0.0000   19.029  8.7531  ?       ?       0.000000       8.753095 
1 1 1 -15 43  8  f 48.581  11.229  439.288    129.719  408.019    139.608  636.837    350.905  44.286  12.465  34.383  16.207  9.903175       20.44612 
1 1 1 -15 43  9  o 17.938  8.2947  -11.0889   85.001   10.927     88.161   -301.7407  320.328  19.181  8.7099  22.636  11.468  -3.455128      14.40036 
1 1 1 -15 43  10 o 22.114  8.6086  72.798     66.455   72.556     93.440   73.045     94.533   22.778  9.6818  22.839  9.7236  -0.6050873E-01 13.72167 
1 1 1 -15 43  11 o 22.264  8.6681  74.003     67.381   139.215    107.007  31.157     86.737   27.127  10.812  20.154  8.9323  6.973467       14.02420 
1 1 1 -15 43  12 o 18.044  7.8000  23.933     62.587   32.373     96.167   17.732     82.434   20.718  9.2790  19.152  8.5834  1.565884       12.64025 
1 1 1 -15 43  13 o 20.579  8.3942  55.188     66.177   47.472     105.626  60.174     84.907   21.815  9.7507  21.690  9.2243  0.1251774      13.42254 
1 1 1 -15 43  14 o 23.806  9.6181  92.706     85.922   -47.2740   251.293  111.237    91.433   23.571  11.680  25.141  10.002  -1.569590      15.37746 
1 1 1 -15 43  15 o 19.313  8.7350  19.260     87.621   -121.8539  196.776  54.159     97.858   20.788  10.307  21.560  9.5250  -0.7720337     14.03437 
1 1 1 -15 43  16 o 32.123  11.438  226.459    112.288  192.779    220.960  238.185    130.378  26.793  12.698  31.384  12.102  -4.590702      17.54165 
1 1 1 -15 43  17 f 20.023  9.1303  31.867     98.168   -109.6127  188.791  84.296     114.926  20.104  9.9894  22.853  10.196  -2.749546      14.27397 
1 1 1 -15 44  1  o 13.998  6.7118  -59.3494   65.536   -140.4478  94.640   15.368     90.841   14.691  7.2595  19.601  8.8771  -4.909335      11.46747 
1 1 1 -15 44  2  o 21.504  8.7629  64.077     72.030   66.828     105.893  61.708     98.265   22.772  9.9895  22.257  9.6969  0.5141163      13.92195 
1 1 1 -15 44  3  o 19.578  8.2615  42.002     67.241   -49.2457   102.754  110.340    88.925   17.808  8.5019  25.151  9.9089  -7.343582      13.05640 
1 1 1 -15 44  4  o 35.738  12.068  278.257    124.233  231.410    141.771  433.247    257.869  31.099  12.428  33.154  14.991  -2.055031      19.47297 
1 1 1 -15 44  5  o 20.016  9.3542  -0.7291    112.617  -54.0026   124.145  246.805    267.603  19.008  9.1457  28.396  13.601  -9.387939      16.39017 
1 1 1 -15 44  6  o 15.994  7.7173  -71.7852   89.972   -57.7553   93.805   -232.9928  317.975  16.770  8.0378  22.801  11.538  -6.031481      14.06161 
1 1 1 -15 44  7  o 39.806  11.458  316.439    116.639  281.697    123.871  588.208    346.449  35.923  12.051  32.721  15.619  3.201454       19.72782 
1 1 1 -15 44  8  o 13.802  6.5631  -45.5589   59.974   -68.8678   92.598   -28.7153   78.715   16.323  7.8646  16.533  7.7562  -0.2094135     11.04580 
1 1 1 -15 44  9  o 28.638  8.7750  138.346    66.734   173.669    97.153   106.792    91.824   29.790  10.636  24.802  9.9701  4.988874       14.57843 
1 1 1 -15 44  10 f 29.852  9.1658  154.411    72.768   203.001    107.908  113.887    98.546   31.358  11.208  25.228  10.262  6.129894       15.19607 
1 1 1 -15 44  11 o 30.898  8.8011  161.162    69.169   122.518    105.258  190.533    91.764   25.652  10.539  31.587  10.365  -5.935656      14.78171 
1 1 1 -15 44  12 o 25.734  10.005  122.142    89.682   134.082    262.437  120.563    95.427   26.011  12.696  25.503  10.195  0.5078239      16.28253 
1 1 1 -15 44  13 o 19.548  8.7208  30.802     84.056   106.234    258.140  21.856     88.901   25.208  12.364  19.365  8.7750  5.843557       15.16171 
1 1 1 -15 44  14 o 16.316  7.6713  -25.1687   77.715   -5.4814    255.120  -27.1824   81.593   23.196  11.540  16.564  7.8100  6.631353       13.93426 
1 1 1 -15 44  15 f 23.015  9.4670  94.232     85.061   -169.3865  264.920  124.533    89.817   21.139  10.681  25.106  9.9370  -3.966825      14.58887 
1 1 1 -15 45  1  o 26.386  11.147  142.064    122.631  67.824     141.820  362.070    244.140  23.300  10.753  31.023  14.241  -7.723022      17.84443 
1 1 1 -15 45  2  o 17.940  8.6650  -64.4382   114.137  40.109     130.954  -394.8641  232.809  22.012  10.219  18.865  9.5798  3.146345       14.00749 
1 1 1 -15 45  3  o 31.280  11.813  223.776    122.555  308.041    139.358  -63.7985   257.445  35.492  12.732  23.001  11.467  12.49054       17.13431 
1 1 1 -15 45  4  o 25.489  11.015  127.172    124.746  156.260    143.108  35.135     254.556  26.666  11.658  24.268  11.976  2.398104       16.71268 
1 1 1 -15 45  5  o 26.022  9.1801  119.555    72.167   102.400    98.405   139.519    106.155  24.186  10.086  26.459  10.690  -2.273237      14.69746 
1 1 1 -15 45  6  f 18.829  8.1040  34.470     66.965   54.621     89.532   8.8840     100.887  21.187  9.2427  19.549  9.0384  1.638672       12.92750 
1 1 1 -15 45  7  o 23.193  8.8505  88.321     69.250   17.106     93.150   176.311    103.541  19.483  8.8879  29.233  10.895  -9.750181      14.06010 
1 1 1 -15 45  8  o 17.728  7.7345  22.663     62.712   -43.9833   96.430   71.510     82.555   17.308  8.2557  22.010  9.2135  -4.702358      12.37117 
1 1 1 -15 45  9  o 26.104  8.7882  117.547    65.874   126.337    95.878   109.688    90.661   25.738  10.242  24.645  9.9069  1.093483       14.24912 
1 1 1 -15 45  10 o 18.877  8.3431  28.883     75.162   -346.3210  265.904  61.465     78.358   20.141  10.228  21.073  8.9067  -0.9320621     13.56284 
1 1 1 -15 45  11 o 27.842  10.385  158.051    94.121   247.069    265.636  145.270    100.650  26.976  13.077  26.565  10.518  0.4106998      16.78166 
1 1 1 -15 45  12 o 17.098  7.8889  -2.1073    76.263   -58.8953   251.145  3.6611     80.043   22.127  11.076  17.644  8.1196  4.482037       13.73302 
1 1 1 -15 45  13 o 23.120  9.7015  99.727     91.885   478.929    266.095  48.390     97.908   30.173  14.189  20.424  9.2361  9.748932       16.93040 
1 1 1 -15 46  1  o 15.796  7.7650  -112.1397  103.607  -108.3712  115.842  -127.2050  231.619  16.775  8.2391  21.299  10.658  -4.523277      13.47098 
1 1 1 -15 46  2  o 15.498  7.6409  -122.2757  102.832  -105.7739  114.794  -189.3065  231.361  16.763  8.2267  20.563  10.339  -3.800138      13.21239 
1 1 1 -15 46  3  o 21.166  8.7573  65.789     73.350   -13.7745   106.697  137.086    101.002  18.831  8.8947  26.096  10.468  -7.265062      13.73696 
1 1 1 -15 46  4  o 19.805  8.3303  49.489     68.005   71.919     101.286  31.078     91.764   22.248  9.7646  19.863  8.9656  2.385149       13.25626 
1 1 1 -15 46  5  o 15.825  7.3527  -17.2455   67.997   -137.7386  89.929   143.603    103.902  14.048  6.9656  26.495  10.622  -12.44714      12.70186 
1 1 1 -15 46  6  o 20.149  8.3696  54.696     67.383   54.677     89.733   54.720     102.037  20.971  9.1977  21.384  9.5690  -0.4134102     13.27264 
1 1 1 -15 46  7  o 16.368  7.8015  -41.4754   85.769   -310.4164  162.300  62.733     101.028  16.330  8.2612  21.669  9.6201  -5.338442      12.68043 
1 1 1 -15 46  8  f 21.097  9.3675  56.533     95.816   -39.8576   201.455  84.712     108.924  21.549  10.638  22.784  10.058  -1.234894      14.63976 
1 1 1 -15 46  9  o 18.477  8.4613  14.878     85.477   161.309    248.514  -4.7697    91.031   25.047  12.253  17.972  8.4026  7.074724       14.85723 
1 1 1 -15 46  10 o 15.061  7.2297  -49.2276   76.526   136.951    247.200  -68.9608   80.479   24.253  11.936  14.768  7.1678  9.485175       13.92300 
1 1 1 -15 46  11 o 18.734  8.4508  31.346     81.388   37.939     273.748  30.707     85.243   22.628  11.360  18.881  8.5701  3.747473       14.23004 
1 1 1 -15 47  1  o 19.351  8.3752  42.593     72.335   -25.2378   104.134  105.841    100.555  18.119  8.6252  23.817  10.079  -5.697302      13.26606 
1 1 1 -15 47  2  o 22.172  8.8801  81.337     72.548   -35.9977   102.517  199.048    102.681  17.687  8.4576  30.249  10.919  -12.56208      13.81168 
1 1 1 -15 47  3  o 20.236  8.3973  57.878     67.731   14.540     100.553  93.872     91.639   19.355  8.9751  23.096  9.6899  -3.741085      13.20778 
1 1 1 -15 47  4  o 24.158  9.3227  106.990    77.416   105.314    113.553  108.445    105.821  23.710  10.374  23.888  10.232  -0.1778965     14.57101 
1 1 1 -15 47  5  o 18.660  8.5791  14.755     89.080   131.744    165.996  -32.5629   105.569  24.541  11.431  17.879  8.5582  6.662228       14.27987 
1 1 1 -15 47  6  o 18.696  8.5905  17.437     89.137   4.9216     167.457  22.385     105.293  21.168  10.289  19.665  9.1413  1.502417       13.76342 
1 1 1 -15 47  7  o 16.519  7.8644  -30.3565   86.640   -161.5437  165.625  19.067     101.659  18.011  9.0126  19.244  8.9578  -1.232834      12.70704 
1 1 1 -15 47  8  o 16.479  7.8585  -29.4431   87.258   -223.0656  168.931  41.016     101.906  17.166  8.6562  19.951  9.1738  -2.785292      12.61304 
1 1 1 -15 47  9  o 17.418  8.2290  -6.4007    91.420   304.027    187.906  -102.6667  104.640  27.812  12.663  15.514  7.6601  12.29796       14.79939 
1 1 1 -15 48  1  o 16.025  7.2511  4.7179     60.449   225.716    107.180  -98.3721   73.203   31.341  11.174  13.189  6.4917  18.15187       12.92245 
1 1 1 -15 48  2  o 10.966  5.5524  -205.8777  74.331   -164.6227  137.388  -222.9515  88.384   16.634  8.3061  12.086  6.1125  4.547456       10.31280 
1 1 1 -15 48  3  o 23.781  9.8946  113.212    94.396   230.181    172.566  63.268     112.762  26.964  12.222  21.307  9.7428  5.657427       15.62973 
1 1 1 -15 48  4  o 24.320  9.8483  122.088    90.306   170.143    177.316  105.258    104.935  24.742  11.618  23.035  10.028  1.707588       15.34787 
1 1 1 -15 48  5  o 21.124  9.3630  72.773     95.316   -117.0802  187.905  138.548    110.602  19.098  9.5628  24.496  10.475  -5.397381      14.18388 
1 1 1 -15 48  6  f 20.409  9.1680  62.894     94.624   199.523    188.544  16.896     109.399  24.614  11.685  18.994  8.9823  5.620407       14.73808 
1 1 1 -15 48  7  o 14.035  6.9055  -87.7581   82.552   -181.2864  159.990  -53.8229   96.371   16.864  8.4938  15.984  7.7777  0.8800106      11.51683 
1 1 1 -15 49  1  o 18.590  7.9043  45.967     62.317   -176.9049  163.429  83.885     67.410   17.359  8.7228  21.677  8.5996  -4.318241      12.24911 
1 1 1 -15 49  2  o 19.198  7.9609  55.632     60.813   -9.6491    167.420  65.554     65.271   20.006  9.8414  20.064  8.2777  -0.5792046E-01 12.85978 
1 1 1 -15 49  3  o 16.763  7.9291  -9.3065    85.342   -44.4601   177.891  1.2028     97.265   19.455  9.6720  17.794  8.4308  1.661533       12.83065 
1 1 1 -15 49  4  o 15.784  7.6059  -36.2524   86.675   -182.1821  162.412  21.860     102.491  16.835  8.4891  18.566  8.7537  -1.731098      12.19394 
1 1 1 -15 49  5  o 14.367  7.0486  -73.3867   84.051   -124.5159  160.227  -53.9751   98.726   17.312  8.6911  15.884  7.7603  1.428038       11.65146 
1 1 1 -15 50  1  o 14.484  6.8503  -20.0424   63.657   306.721    164.499  -77.5933   69.035   27.523  12.245  12.935  6.3545  14.58789       13.79538 
1 1 1 -15 50  2  o 23.050  8.9378  112.745    71.418   -62.7638   174.574  148.023    78.267   18.386  9.2077  25.566  9.4830  -7.180035      13.21780 
1 1 1 -14 -55 29 o 13.859  6.4947  -3.5598    54.940   47.570     86.556   -38.0583   71.099   17.579  8.2105  13.725  6.6791  3.854246       10.58407 
1 1 1 -14 -55 30 o 13.530  6.4078  -12.8975   56.058   -37.3576   97.939   -0.9797    68.364   15.340  7.5426  14.941  7.0760  0.3991203      10.34220 
1 1 1 -14 -55 31 o 21.541  8.6522  108.281    69.090   90.266     100.412  124.478    95.212   19.487  9.0124  21.182  9.3746  -1.695194      13.00409 
1 1 1 -14 -55 32 o 14.459  6.3448  20.035     42.748   -27.8411   97.789   31.346     47.530   15.641  7.6587  15.645  6.7802  -0.4465103E-02 10.22869 
1 1 1 -14 -55 33 o 14.963  6.5050  25.064     44.026   143.736    94.272   -8.0366    49.789   22.387  9.6250  13.254  6.2023  9.132739       11.45026 
1 1 1 -14 -55 34 o 11.991  5.6484  -16.7772   42.494   184.141    90.512   -73.5823   48.127   25.436  10.005  10.351  5.1257  15.08509       11.24121 
1 1 1 -14 -55 35 f 12.317  5.7042  -7.0520    40.427   15.307     93.059   -12.2532   44.883   16.750  8.0225  12.524  5.8697  4.226003       9.940537 
1 1 1 -14 -55 36 o 13.042  6.3705  -50.6931   66.419   -28.3550   159.659  -55.3679   73.039   17.446  8.7470  13.441  6.5893  4.005314       10.95121 
1 1 1 -14 -55 37 o 17.728  8.1547  49.118     80.630   5.1010     171.232  61.659     91.396   18.069  9.0593  18.407  8.5431  -0.3382206     12.45210 
1 1 1 -14 -55 38 o 16.475  7.6338  27.501     72.532   -228.4307  166.523  87.425     80.577   ?       ?       19.681  8.6715  0.000000       8.671474 
1 1 1 -14 -55 39 o 17.201  7.9116  41.304     75.865   45.238     166.314  40.270     85.252   18.523  9.2316  17.369  8.1240  1.154022       12.29727 
1 1 1 -14 -55 40 o 14.612  6.4777  19.916     45.640   209.450    164.077  4.0211     47.516   21.559  10.407  13.687  6.2826  7.871927       12.15642 
1 1 1 -14 -54 23 o 15.471  7.0611  18.016     58.879   -32.7624   87.962   59.236     79.253   15.156  7.3873  18.352  8.3032  -3.195160      11.11377 
1 1 1 -14 -54 24 o 15.851  7.2050  21.753     60.515   -62.9021   91.437   87.729     80.722   14.639  7.2153  20.047  8.7599  -5.408195      11.34885 
1 1 1 -14 -54 25 o 33.617  8.5432  220.534    69.830   229.540    102.585  212.759    95.324   27.886  10.740  27.694  10.427  0.1922493      14.96915 
1 1 1 -14 -54 26 o 17.720  7.4842  50.262     55.263   50.138     86.044   50.349     72.099   18.324  8.4271  18.059  8.0651  0.2648029      11.66457 
1 1 1 -14 -54 27 f 15.645  7.0182  20.718     55.246   26.141     86.726   17.014     71.670   17.394  8.1542  16.367  7.5852  1.026842       11.13669 
1 1 1 -14 -54 28 o 16.166  7.2062  26.378     57.272   -49.6749   93.081   72.711     72.652   15.288  7.4831  19.564  8.4306  -4.276060      11.27259 
1 1 1 -14 -54 29 o 15.634  7.0799  16.842     57.767   81.591     93.493   -23.1419   73.469   20.061  9.0527  14.875  7.1253  5.185508       11.52049 
1 1 1 -14 -54 30 o 16.023  7.3277  16.605     63.816   54.510     93.588   -16.3353   87.245   18.891  8.7243  16.003  7.6917  2.888344       11.63081 
1 1 1 -14 -54 31 o 14.032  6.6544  -19.9690   60.861   -27.1514   91.191   -14.2005   81.725   15.906  7.6983  15.785  7.5490  0.1206322      10.78202 
1 1 1 -14 -54 32 o 16.455  6.9295  35.953     47.149   75.785     96.826   23.573     53.982   19.917  9.0763  15.880  7.0420  4.036482       11.48779 
1 1 1 -14 -54 33 o 20.712  7.2847  76.056     45.410   -89.8894   96.213   123.615    51.507   14.614  7.2389  26.128  7.6410  -11.51425      10.52547 
1 1 1 -14 -54 34 o 15.270  6.5159  25.321     42.626   47.645     94.485   19.616     47.763   18.712  8.6852  15.183  6.6836  3.529188       10.95913 
1 1 1 -14 -54 35 o 11.039  5.2997  -35.7181   41.151   -32.7417   91.473   -36.4733   46.076   15.793  7.6599  11.688  5.6105  4.104446       9.494858 
1 1 1 -14 -54 36 o 19.001  7.2836  61.841     47.032   77.995     99.014   57.134     53.447   20.049  9.1529  18.512  7.5466  1.537424       11.86278 
1 1 1 -14 -54 37 o 12.841  5.9802  -12.3105   45.404   89.317     158.473  -21.3987   47.390   20.511  9.9789  12.582  5.9383  7.928937       11.61212 
1 1 1 -14 -54 38 o 14.960  7.1744  -25.1848   74.964   -237.0718  165.334  29.648     84.106   15.792  8.0242  17.629  8.1864  -1.837187      11.46325 
1 1 1 -14 -54 39 o 14.071  6.7929  -38.7343   69.935   -40.3799   138.928  -38.1758   80.937   17.523  8.6833  14.921  7.2295  2.602128       11.29888 
1 1 1 -14 -54 40 o 21.633  9.0280  104.076    78.919   96.560     184.650  105.756    87.294   20.519  10.139  21.466  9.2457  -0.9473343     13.72169 
1 1 1 -14 -54 41 o 14.971  7.1974  -25.8244   76.507   275.970    175.214  -96.9210   85.043   24.435  11.498  13.586  6.7428  10.84916       13.32925 
1 1 1 -14 -54 42 o 15.526  6.9188  21.178     52.747   -31.9134   105.540  38.855     60.899   16.348  7.9948  17.115  7.5398  -0.7667217     10.98933 
1 1 1 -14 -54 43 f 33.516  7.6336  199.624    60.691   163.812    116.807  212.867    71.032   23.014  10.273  32.639  8.7782  -9.624762      13.51232 
1 1 1 -14 -54 44 o 17.976  7.3909  54.452     51.814   34.078     100.148  61.900     60.548   17.926  8.5115  18.620  7.8476  -0.6941147     11.57717 
1 1 1 -14 -54 45 o 15.250  6.7864  21.443     50.566   107.352    103.542  -5.4628    57.946   20.628  9.3950  14.235  6.6706  6.393915       11.52225 
1 1 1 -14 -53 19 o 22.379  9.6833  132.276    96.646   111.350    106.239  232.710    232.743  21.046  9.5585  21.807  10.877  -0.7616768     14.47996 
1 1 1 -14 -53 20 o 25.076  10.259  175.292    99.198   164.169    110.522  221.380    224.970  23.633  10.290  22.075  10.958  1.558079       15.03227 
1 1 1 -14 -53 21 o 22.136  9.4437  115.922    89.500   166.341    98.147   -132.9759  218.068  24.821  10.185  18.234  9.2604  6.586664       13.76531 
1 1 1 -14 -53 22 o 18.518  8.4781  45.619     85.758   76.655     95.349   -85.7759   196.190  20.098  9.0991  18.439  9.3021  1.658287       13.01245 
1 1 1 -14 -53 23 o 14.864  6.9050  -3.1889    59.927   13.909     94.196   -14.8149   77.674   17.596  8.3252  15.670  7.4564  1.925893       11.17619 
1 1 1 -14 -53 24 o 28.958  8.7890  165.481    67.163   149.002    101.756  178.203    89.405   24.017  10.150  27.055  10.116  -3.038181      14.33029 
1 1 1 -14 -53 25 o 16.666  7.3540  28.275     58.168   -19.3317   90.727   61.502     75.796   16.411  7.8760  19.391  8.4803  -2.979912      11.57351 
1 1 1 -14 -53 26 o 16.085  7.1715  20.307     56.751   88.184     89.055   -26.1062   73.641   21.061  9.2019  15.076  7.1977  5.984526       11.68254 
1 1 1 -14 -53 27 o 14.523  6.6685  -1.3222    53.583   -17.5420   83.796   9.8975     69.694   16.132  7.6950  16.380  7.5518  -0.2480068     10.78159 
1 1 1 -14 -53 28 o 11.745  5.7093  -55.4643   51.580   -9.7113    79.155   -89.2311   68.001   16.154  7.6395  12.534  6.1861  3.619527       9.830079 
1 1 1 -14 -53 29 o 15.802  7.2796  4.6063     64.575   27.815     95.848   -14.6837   87.383   18.472  8.6317  16.499  7.8669  1.973080       11.67881 
1 1 1 -14 -53 30 o 17.912  7.8354  40.250     64.741   22.101     94.309   56.426     89.034   18.218  8.5287  19.550  8.8272  -1.331902      12.27427 
1 1 1 -14 -53 31 o 15.878  7.2593  8.3549     62.568   -27.9177   90.973   40.912     86.188   16.302  7.8401  18.748  8.5514  -2.445747      11.60142 
1 1 1 -14 -53 32 o 23.900  7.4616  99.096     47.997   86.863     97.537   103.005    55.134   21.177  9.4247  23.692  8.0396  -2.514406      12.38790 
1 1 1 -14 -53 33 o 16.260  6.8127  31.394     45.201   -29.8338   97.565   48.127     51.005   16.645  8.0326  18.051  7.3670  -1.406116      10.89936 
1 1 1 -14 -53 34 o 21.274  7.3895  77.680     46.656   75.337     96.946   78.386     53.226   20.631  9.2728  21.064  7.8188  -0.4323769     12.12923 
1 1 1 -14 -53 35 f 12.557  5.7925  -11.1098   41.089   39.103     91.545   -23.7773   45.980   18.868  8.6830  12.470  5.8747  6.397764       10.48360 
1 1 1 -14 -53 36 o 11.678  5.4889  -22.3489   39.742   89.354     91.412   -48.3828   44.131   21.345  9.3245  11.034  5.3441  10.31075       10.74734 
1 1 1 -14 -53 37 o 11.562  5.4446  -23.4694   39.418   -46.2794   90.622   -18.1468   43.776   15.730  7.6281  12.487  5.8343  3.242897       9.603439 
1 1 1 -14 -53 38 o 15.471  6.5083  25.665     41.522   60.715     91.641   16.611     46.578   19.839  8.9569  15.124  6.6301  4.715586       11.14377 
1 1 1 -14 -53 39 o 14.790  6.4854  14.711     44.596   70.169     94.453   -1.1981    50.589   20.315  9.1397  14.280  6.5283  6.034816       11.23173 
1 1 1 -14 -53 40 o 20.070  8.7967  68.643     81.956   247.144    178.859  21.204     92.206   25.147  11.764  18.084  8.4554  7.063673       14.48729 
1 1 1 -14 -53 41 o 20.112  8.6076  70.822     74.783   -79.5801   175.305  104.280    82.683   18.515  9.2657  22.275  9.2636  -3.759794      13.10220 
1 1 1 -14 -53 42 o 14.279  6.8206  -31.3585   66.308   -63.7944   153.423  -23.9082   73.530   18.086  8.9897  15.175  7.2304  2.910249       11.53660 
1 1 1 -14 -53 43 o 22.380  9.3301  108.438    84.168   -4.3655    177.662  141.082    95.573   19.558  9.7134  24.037  9.9748  -4.478868      13.92286 
1 1 1 -14 -53 44 o 14.309  6.5239  1.6722     50.096   103.375    106.246  -27.4023   56.807   21.570  9.6998  13.465  6.3983  8.104518       11.62000 
1 1 1 -14 -53 45 o 12.123  5.8097  -36.5603   48.974   -234.4666  108.651  13.899     54.863   13.090  6.6363  15.445  6.9556  -2.355835      9.613612 
1 1 1 -14 -53 46 o 16.757  7.1678  35.920     51.809   161.807    109.565  -0.3339    58.798   24.056  10.360  14.884  6.8882  9.171460       12.44061 
1 1 1 -14 -53 47 o 20.575  9.6909  91.473     125.021  91.473     125.021  0.0000     0.0000   20.575  9.6909  ?       ?       0.000000       9.690879 
1 1 1 -14 -53 48 o 21.207  10.616  158.328    230.954  158.328    230.954  0.0000     0.0000   21.207  10.616  ?       ?       0.000000       10.61605 
1 1 1 -14 -52 16 o 14.195  6.7812  -27.3526   65.569   -4.6572    83.605   -63.6203   105.687  16.324  7.7584  15.822  7.7902  0.5021563      10.99452 
1 1 1 -14 -52 17 o 15.050  7.0616  -8.8653    65.291   -39.0965   82.442   41.998     106.936  15.181  7.3406  19.030  8.9630  -3.848686      11.58531 
1 1 1 -14 -52 18 o 20.818  8.6912  82.556     73.183   63.338     96.018   109.196    113.048  19.828  9.0368  21.855  9.8999  -2.027166      13.40418 
1 1 1 -14 -52 19 o 16.863  7.8337  9.7874     77.123   10.336     83.170   6.4181     206.034  17.215  8.0430  20.291  10.138  -3.076218      12.94121 
1 1 1 -14 -52 20 o 23.724  9.7617  127.425    90.470   161.681    99.729   -31.7781   214.997  25.500  10.341  20.077  10.077  5.423456       14.43937 
1 1 1 -14 -52 21 o 22.907  9.7941  115.744    96.645   56.417     107.594  363.527    219.887  20.088  9.3040  26.913  12.729  -6.825193      15.76713 
1 1 1 -14 -52 22 o 15.755  7.5102  -25.4323   79.533   -18.7648   88.248   -54.2742   183.543  16.583  7.9067  19.410  9.6776  -2.826736      12.49688 
1 1 1 -14 -52 23 o 17.912  8.2662  20.069     83.803   -68.2922   97.938   261.631    161.934  15.755  7.7040  27.123  12.102  -11.36798      14.34586 
1 1 1 -14 -52 24 o 21.555  9.1402  86.905     82.948   128.488    95.642   -39.2992   166.620  23.958  9.9633  19.355  9.5764  4.602913       13.81937 
1 1 1 -14 -52 25 o 17.347  7.9826  13.935     77.356   33.476     88.139   -51.5902   161.396  18.779  8.5966  19.038  9.4206  -0.2597256     12.75337 
1 1 1 -14 -52 26 o 21.029  9.1767  76.868     88.328   111.994    103.621  -16.4856   168.926  22.894  9.9663  19.894  9.8055  2.999880       13.98125 
1 1 1 -14 -52 27 o 24.808  8.6683  116.652    64.248   63.615     105.911  147.533    80.816   20.641  9.4399  26.395  9.6627  -5.753988      13.50850 
1 1 1 -14 -52 28 o 17.365  7.6487  29.136     62.638   -13.7422   90.933   67.852     86.407   17.065  8.1049  20.536  9.0158  -3.470469      12.12333 
1 1 1 -14 -52 29 o 10.865  5.4233  -115.1298  58.312   -157.0267  84.979   -77.8473   80.163   12.770  6.3996  14.212  6.9540  -1.442251      9.450591 
1 1 1 -14 -52 30 o 11.935  5.8462  -73.4782   57.118   -34.1814   83.856   -107.4895  78.013   15.893  7.6129  13.224  6.5448  2.668941       10.03947 
1 1 1 -14 -52 31 o 22.800  7.6107  88.954     49.401   115.553    95.441   79.220     57.737   23.345  9.8464  21.349  8.0970  1.995892       12.74807 
1 1 1 -14 -52 32 o 15.495  6.6565  20.621     45.025   84.568     95.863   2.5222     51.000   21.583  9.4854  14.741  6.6661  6.841345       11.59354 
1 1 1 -14 -52 33 o 11.434  5.4203  -29.9768   40.313   72.415     89.684   -55.9033   45.129   20.885  9.1768  10.956  5.3292  9.928752       10.61194 
1 1 1 -14 -52 34 o 11.533  5.4594  -28.9951   40.606   91.823     90.149   -59.7461   45.481   22.006  9.4353  10.857  5.2961  11.14955       10.82005 
1 1 1 -14 -52 35 o 28.080  8.0732  138.393    57.940   122.227    102.914  145.895    70.106   23.603  10.099  27.403  9.0627  -3.799988      13.56946 
1 1 1 -14 -52 36 f 10.446  5.0641  -48.5568   39.853   -104.4869  90.170   -34.9789   44.428   14.387  7.1046  11.796  5.6201  2.591080       9.058773 
1 1 1 -14 -52 37 o 15.341  6.6231  18.673     45.009   -1.2302    97.478   24.067     50.743   17.916  8.4744  16.249  7.0238  1.666685       11.00675 
1 1 1 -14 -52 38 o 13.892  6.2453  1.2014     44.002   -19.9517   96.849   6.7037     49.395   17.245  8.2389  14.865  6.6543  2.379992       10.59055 
1 1 1 -14 -52 39 o 20.655  7.7354  71.309     52.323   51.954     103.522  77.950     60.638   20.190  9.2699  21.197  8.2311  -1.006969      12.39692 
1 1 1 -14 -52 40 o 18.602  7.3805  51.539     49.657   2.6996     99.810   67.604     57.244   18.160  8.5855  20.243  7.9582  -2.082706      11.70657 
1 1 1 -14 -52 41 f 20.135  7.5872  66.434     50.490   -7.7644    103.505  89.602     57.838   17.970  8.5666  22.409  8.1788  -4.438763      11.84396 
1 1 1 -14 -52 42 o 20.896  8.8653  75.180     78.098   190.228    172.920  45.698     87.535   24.704  11.560  19.404  8.7577  5.299774       14.50250 
1 1 1 -14 -52 43 o 13.650  6.6021  -55.1180   66.821   -91.9714   185.596  -49.6296   71.624   19.134  9.5692  14.312  6.9007  4.822020       11.79790 
1 1 1 -14 -52 44 o 21.645  9.3143  88.188     88.433   0.0000     0.0000   88.188     88.433   ?       ?       21.645  9.3143  0.000000       9.314282 
1 1 1 -14 -52 45 o 22.246  9.1485  96.950     79.406   10.525     184.491  116.600    87.971   20.533  10.144  23.395  9.6261  -2.862110      13.98448 
1 1 1 -14 -52 46 o 19.074  8.9759  27.688     106.817  27.688     106.817  0.0000     0.0000   19.074  8.9759  ?       ?       0.000000       8.975904 
1 1 1 -14 -52 47 o 29.518  12.537  318.630    156.465  318.630    156.465  0.0000     0.0000   29.518  12.537  ?       ?       0.000000       12.53713 
1 1 1 -14 -52 48 o 23.156  7.8419  96.738     52.456   207.765    144.276  79.825     56.309   25.290  11.343  21.074  7.9954  4.215988       13.87803 
1 1 1 -14 -52 49 o 19.655  8.3828  65.605     70.485   -50.7667   231.492  77.496     73.999   19.804  10.004  20.484  8.6566  -0.6798992     13.22955 
1 1 1 -14 -52 50 o 23.823  9.0487  121.322    72.174   146.820    240.957  118.808    75.648   21.773  10.891  23.368  9.1604  -1.594997      14.23142 
1 1 1 -14 -51 13 o 20.219  8.3051  74.021     65.346   10.524     91.103   141.305    93.780   17.483  8.2460  24.101  9.9302  -6.617809      12.90754 
1 1 1 -14 -51 14 o 14.784  6.9713  -17.8293   65.042   -35.5731   82.915   10.558     104.874  15.513  7.4666  18.219  8.6678  -2.705156      11.44029 
1 1 1 -14 -51 15 o 17.596  7.7659  33.431     64.893   58.515     81.834   -9.0676    106.516  19.674  8.7000  17.819  8.5471  1.855093       12.19604 
1 1 1 -14 -51 16 o 23.176  8.8995  104.847    70.293   74.199     90.534   151.365    111.540  20.807  9.1784  24.665  10.533  -3.858509      13.97101 
1 1 1 -14 -51 17 o 17.990  7.9464  34.445     68.081   50.544     88.082   10.553     107.300  19.645  8.8333  18.702  8.8595  0.9428864      12.51072 
1 1 1 -14 -51 18 o 12.431  5.9734  -45.3509   52.545   18.290     74.801   -107.3499  73.830   17.515  7.9802  12.837  6.3556  4.677884       10.20183 
1 1 1 -14 -51 19 o 18.185  7.6676  42.752     57.845   7.7792     85.868   71.808     78.269   17.714  8.2412  20.815  8.8544  -3.100567      12.09617 
1 1 1 -14 -51 20 o 16.497  7.3508  17.014     59.532   -95.4999   83.862   131.307    84.523   14.143  6.9587  25.081  9.7239  -10.93889      11.95735 
1 1 1 -14 -51 21 o 21.182  8.2956  76.291     61.995   143.732    89.996   15.386     85.524   25.795  10.025  18.096  8.3509  7.699371       13.04713 
1 1 1 -14 -51 22 o 19.633  8.0182  58.482     60.473   42.017     89.639   72.235     81.924   19.536  8.8357  21.004  8.9998  -1.467613      12.61210 
1 1 1 -14 -51 23 o 45.446  9.3898  375.799    100.116  265.255    116.646  685.028    195.094  32.524  11.650  46.000  15.114  -13.47649      19.08257 
1 1 1 -14 -51 24 o 26.828  10.201  157.524    91.782   238.708    108.610  -45.2888   171.664  31.548  11.248  19.866  9.8090  11.68179       14.92405 
1 1 1 -14 -51 25 o 19.263  8.5963  41.976     81.743   45.506     94.468   31.456     163.076  19.893  9.0268  21.173  10.259  -1.279533      13.66513 
1 1 1 -14 -51 26 o 14.409  7.0627  -86.7836   83.800   -56.0282   100.438  -157.2382  152.018  16.535  8.0212  17.299  8.6530  -0.7648010     11.79891 
1 1 1 -14 -51 27 o 21.512  9.3466  78.826     90.784   180.384    108.033  -165.2501  167.479  27.320  10.871  17.839  8.9460  9.481453       14.07894 
1 1 1 -14 -51 28 o 17.370  8.2050  -10.7918   90.820   66.936     109.983  -177.4049  161.025  21.206  9.6675  17.400  8.7322  3.805500       13.02734 
1 1 1 -14 -51 29 o 19.536  8.2328  55.067     66.629   65.955     110.950  48.926     83.327   21.179  9.6766  19.684  8.7379  1.495514       13.03792 
1 1 1 -14 -51 30 o 23.821  8.7060  104.772    65.567   103.171    94.709   106.246    90.861   22.933  9.7474  23.175  9.6804  -0.2417278     13.73762 
1 1 1 -14 -51 31 o 33.934  6.4926  175.100    51.511   223.218    104.700  159.733    59.167   30.780  11.036  30.770  7.8880  0.1076317E-01  13.56520 
1 1 1 -14 -51 32 o 24.655  7.3543  100.380    47.326   184.776    96.394   73.576     54.325   28.603  10.541  21.033  7.8810  7.569235       13.16102 
1 1 1 -14 -51 33 o 23.643  7.4185  92.826     47.377   230.481    96.533   49.148     54.377   32.521  10.629  18.673  7.6121  13.84852       13.07336 
1 1 1 -14 -51 34 o 20.368  7.2819  66.398     45.553   0.0734     96.808   85.260     51.626   18.128  8.5352  22.427  7.7740  -4.298496      11.54492 
1 1 1 -14 -51 35 o 26.003  7.4915  112.327    49.844   31.139     98.863   139.999    57.717   19.440  8.9739  28.565  8.0059  -9.124479      12.02599 
1 1 1 -14 -51 36 o 12.625  6.0053  -36.0128   50.289   -39.5419   93.246   -34.5653   59.718   16.569  7.9607  13.835  6.5699  2.734341       10.32167 
1 1 1 -14 -51 37 o 17.601  7.4614  35.593     55.253   65.538     99.292   22.160     66.500   21.011  9.4182  17.385  7.7562  3.626299       12.20088 
1 1 1 -14 -51 38 o 19.306  7.1402  57.253     44.308   -101.9739  98.055   98.107     49.668   15.214  7.4935  24.182  7.5971  -8.968142      10.67088 
1 1 1 -14 -51 39 o 10.406  5.1161  -71.5408   45.047   -103.4511  85.635   -59.3330   52.967   14.170  6.9836  12.000  5.8224  2.169131       9.092335 
1 1 1 -14 -51 40 o 25.917  8.0477  116.263    55.918   173.391    101.659  91.479     66.958   27.476  10.661  22.617  8.6856  4.858603       13.75109 
1 1 1 -14 -51 41 o 24.538  7.9282  103.361    53.790   247.284    108.152  56.059     62.003   32.530  11.253  19.568  8.0698  12.96268       13.84774 
1 1 1 -14 -51 42 o 43.048  6.3690  276.713    64.517   261.941    122.812  282.344    75.822   31.790  11.862  41.659  7.7874  -9.869301      14.18952 
1 1 1 -14 -51 43 o 30.575  9.4046  179.419    76.570   149.654    114.278  203.669    103.147  25.343  10.736  29.625  10.906  -4.282162      15.30359 
1 1 1 -14 -51 44 o 21.635  10.530  36.223     176.883  36.223     176.883  0.0000     0.0000   21.635  10.530  ?       ?       0.000000       10.52968 
1 1 1 -14 -51 45 o 20.378  10.020  -22.1959   172.956  -22.1959   172.956  0.0000     0.0000   20.378  10.020  ?       ?       0.000000       10.02017 
1 1 1 -14 -51 46 o 22.515  10.887  81.387     181.397  81.387     181.397  0.0000     0.0000   22.515  10.887  ?       ?       0.000000       10.88698 
1 1 1 -14 -51 47 f 15.267  6.7903  9.8040     50.558   132.030    138.296  -9.0509    54.317   23.808  10.849  14.474  6.6709  9.334035       12.73564 
1 1 1 -14 -51 48 o 13.487  6.1677  -7.4349    45.202   171.921    132.107  -31.2178   48.106   25.442  11.159  12.522  5.9318  12.92013       12.63791 
1 1 1 -14 -51 49 o 20.132  7.2831  65.706     45.717   -120.9067  128.836  92.588     48.899   16.580  8.2408  23.315  7.5619  -6.734591      11.18452 
1 1 1 -14 -51 50 o 13.329  6.4319  -51.0489   62.524   143.224    128.186  -111.6966  71.621   23.868  10.700  12.450  6.1806  11.41764       12.35651 
1 1 1 -14 -51 51 o 20.302  8.4896  70.553     69.989   134.177    247.932  65.044     72.957   22.555  11.246  19.945  8.5182  2.609989       14.10798 
1 1 1 -14 -51 52 o 14.294  6.8196  -31.2515   65.861   -119.7287  245.485  -24.3891   68.367   19.559  9.9223  14.796  7.0274  4.762724       12.15878 
1 1 1 -14 -50 10 o 15.184  7.3610  -48.9192   84.191   -283.3284  310.885  -30.3675   87.459   ?       ?       16.000  7.6929  0.000000       7.692945 
1 1 1 -14 -50 11 o 22.026  9.6042  98.114     96.578   239.425    348.904  86.388     100.505  23.317  11.829  21.411  9.5450  1.905790       15.19965 
1 1 1 -14 -50 12 o 21.545  9.4654  84.808     95.382   279.999    327.948  66.771     99.691   24.211  12.190  20.695  9.3426  3.516554       15.35866 
1 1 1 -14 -50 13 o 15.955  7.5108  -16.6413   74.913   -158.2361  246.270  -2.2030    78.640   20.003  10.125  16.844  7.8533  3.158545       12.81388 
1 1 1 -14 -50 14 o 21.567  9.3143  80.051     89.080   146.088    241.266  69.628     95.852   23.756  11.711  21.083  9.3647  2.673168       14.99473 
1 1 1 -14 -50 15 o 13.754  6.6422  -57.0298   66.993   -350.1848  206.386  -22.5036   70.828   ?       ?       15.484  7.2935  0.000000       7.293517 
1 1 1 -14 -50 16 o 16.742  7.7295  -0.2918    73.390   -131.0349  287.591  8.8154     75.903   21.367  10.829  17.361  7.9587  4.005602       13.43912 
1 1 1 -14 -50 17 o 15.578  6.9673  7.7799     54.020   33.615     89.187   -7.1899    67.890   19.329  8.7707  15.995  7.4022  3.333634       11.47684 
1 1 1 -14 -50 18 f 24.047  8.5063  102.780    62.001   179.383    90.635   35.406     85.001   29.129  10.287  19.258  8.6667  9.870520       13.45094 
1 1 1 -14 -50 19 o 31.329  8.7445  174.508    69.007   193.468    97.498   155.475    97.683   29.677  10.649  26.704  10.426  2.973131       14.90261 
1 1 1 -14 -50 20 o 24.107  8.5435  103.442    62.573   120.221    88.232   86.464     88.755   24.548  9.8067  22.259  9.4475  2.289911       13.61716 
1 1 1 -14 -50 21 o 22.728  8.5865  90.627     64.767   105.652    99.882   79.725     85.078   23.370  9.9735  21.791  9.2494  1.579523       13.60232 
1 1 1 -14 -50 22 o 25.416  8.5490  115.720    62.337   190.129    101.702  70.942     78.895   28.967  10.797  21.133  8.9350  7.833574       14.01461 
1 1 1 -14 -50 23 o 20.846  7.9391  70.182     55.653   104.120    89.129   48.495     71.249   23.365  9.6590  19.425  8.3598  3.939470       12.77432 
1 1 1 -14 -50 24 o 37.123  7.3845  218.481    64.175   329.120    101.062  143.723    83.074   41.437  10.135  26.641  9.7900  14.79586       14.09157 
1 1 1 -14 -50 25 o 16.194  7.2571  10.336     58.916   52.397     95.510   -15.4992   74.855   20.479  9.2041  16.207  7.5906  4.272160       11.93029 
1 1 1 -14 -50 26 o 46.763  9.1996  386.039    100.665  325.973    117.699  549.685    194.273  37.888  11.661  39.413  14.876  -1.524796      18.90132 
1 1 1 -14 -50 27 o 24.791  10.249  129.461    100.350  126.443    123.476  135.334    172.222  24.212  10.698  24.215  11.396  -0.3164291E-02 15.63048 
1 1 1 -14 -50 28 o 29.270  10.685  190.270    98.722   230.009    121.506  113.083    169.340  30.074  11.659  23.624  11.173  6.450121       16.14828 
1 1 1 -14 -50 29 o 21.758  9.4288  77.777     91.906   63.907     112.298  105.912    159.938  21.442  9.7726  23.410  11.006  -1.968748      14.71867 
1 1 1 -14 -50 30 o 20.229  7.8545  63.824     55.212   138.967    121.413  44.233     61.993   24.866  10.806  18.750  7.9235  6.116014       13.39989 
1 1 1 -14 -50 31 o 20.408  7.9482  65.467     56.670   207.444    122.929  27.152     63.860   28.571  11.518  17.658  7.7517  10.91286       13.88366 
1 1 1 -14 -50 32 o 26.842  7.3041  116.270    48.840   112.399    100.564  117.464    55.872   23.790  10.075  26.222  8.0283  -2.431898      12.88218 
1 1 1 -14 -50 33 o 48.790  5.1906  332.000    60.506   556.032    111.896  239.428    71.928   58.238  8.1411  38.122  8.0297  20.11592       11.43482 
1 1 1 -14 -50 34 o 21.406  7.4527  73.901     47.472   217.479    97.133   28.844     54.413   31.815  10.672  17.147  7.3406  14.66788       12.95256 
1 1 1 -14 -50 35 o 23.879  7.2909  92.371     46.117   58.752     99.364   101.601    52.065   20.952  9.4045  24.605  7.7844  -3.652977      12.20825 
1 1 1 -14 -50 36 o 24.131  7.4803  95.562     48.334   112.314    102.062  90.719     54.879   23.797  10.117  23.122  8.0152  0.6748295      12.90712 
1 1 1 -14 -50 37 o 37.228  7.6907  223.358    67.172   225.316    111.000  222.226    84.375   30.879  11.321  34.158  9.7172  -3.279249      14.91962 
1 1 1 -14 -50 38 o 45.577  5.3208  291.555    57.734   395.192    113.647  255.504    67.028   44.971  10.590  40.708  7.0407  4.262405       12.71694 
1 1 1 -14 -50 39 o 12.703  5.8525  -14.3642   41.753   12.922     96.294   -20.6819   46.335   18.847  8.7547  12.968  6.0400  5.879360       10.63606 
1 1 1 -14 -50 40 o 21.846  7.7839  78.412     52.008   -23.4075   122.731  100.697    57.418   18.939  9.1078  24.155  8.2044  -5.216209      12.25817 
1 1 1 -14 -50 41 o 11.953  5.7332  -45.1910   47.915   -151.4941  100.972  -14.2969   54.434   14.498  7.2204  14.346  6.6351  0.1520767      9.806110 
1 1 1 -14 -50 42 o 16.638  7.1880  23.003     53.085   -40.7224   106.773  43.927     61.183   17.630  8.4824  18.755  7.8957  -1.124874      11.58853 
1 1 1 -14 -50 43 o 22.165  9.8427  79.055     105.812  79.055     105.812  0.0000     0.0000   22.165  9.8427  ?       ?       0.000000       9.842700 
1 1 1 -14 -50 44 o 26.025  10.998  155.452    119.434  155.452    119.434  0.0000     0.0000   26.025  10.998  ?       ?       0.000000       10.99794 
1 1 1 -14 -50 45 o 21.242  9.0242  69.411     81.100   167.462    193.274  48.457     89.346   25.289  11.953  20.259  9.0178  5.030716       14.97324 
1 1 1 -14 -50 46 o 21.349  8.5881  73.637     68.182   41.288     177.068  79.269     73.879   22.228  10.751  21.834  8.8835  0.3944454      13.94597 
1 1 1 -14 -50 47 o 18.717  7.9586  41.932     63.183   5.9610     151.581  49.496     69.509   20.816  10.037  19.540  8.3290  1.275282       13.04292 
1 1 1 -14 -50 48 o 16.188  6.7865  25.888     44.894   174.952    126.450  4.3895     48.022   26.686  11.299  14.778  6.5922  11.90794       13.08133 
1 1 1 -14 -50 49 o 12.262  5.7422  -24.0130   42.807   130.721    124.209  -44.8687   45.601   24.445  10.769  11.612  5.5757  12.83352       12.12652 
1 1 1 -14 -50 50 f 17.606  6.9911  41.342     44.591   -169.1236  136.751  66.382     47.169   16.479  8.2373  20.443  7.3975  -3.964020      11.07137 
1 1 1 -14 -50 51 o 18.693  7.1751  51.706     45.680   14.587     130.702  56.871     48.755   20.029  9.5697  19.309  7.4124  0.7198238      12.10463 
1 1 1 -14 -50 52 o 12.633  6.1959  -81.5380   64.767   -44.0561   248.726  -84.2644   67.081   21.250  10.688  12.808  6.2863  8.441944       12.39994 
1 1 1 -14 -50 53 o 24.569  9.4116  123.890    78.498   0.0000     0.0000   123.890    78.498   ?       ?       24.569  9.4116  0.000000       9.411554 
1 1 1 -14 -49 8  o 19.837  8.4346  61.444     70.965   -70.3035   101.687  186.530    99.082   16.020  7.8373  27.897  10.601  -11.87701      13.18323 
1 1 1 -14 -49 9  o 11.677  5.7518  -85.5662   57.825   -21.4603   73.195   -192.0152  94.319   15.633  7.3789  13.012  6.5494  2.621565       9.866308 
1 1 1 -14 -49 10 o 21.156  8.4820  74.843     66.266   -39.2968   88.209   222.714    100.400  16.249  7.7899  31.448  10.845  -15.19818      13.35250 
1 1 1 -14 -49 11 o 22.198  8.5786  85.270     65.623   89.352     89.835   80.601     96.090   22.398  9.5057  21.932  9.5712  0.4655228      13.48947 
1 1 1 -14 -49 12 o 15.167  7.3176  -58.2371   80.859   126.661    325.630  -70.3874   83.474   24.275  12.212  15.014  7.2903  9.260593       14.22295 
1 1 1 -14 -49 13 o 18.947  8.5603  27.357     83.890   0.0000     0.0000   27.357     83.890   ?       ?       18.947  8.5603  0.000000       8.560332 
1 1 1 -14 -49 14 o 19.342  8.5766  37.553     80.063   204.288    217.572  11.439     86.105   26.063  12.423  18.357  8.4377  7.706690       15.01782 
1 1 1 -14 -49 15 o 20.224  8.9298  48.493     85.902   430.007    263.403  3.0874     90.870   29.984  14.106  18.304  8.5030  11.68064       16.47041 
1 1 1 -14 -49 16 o 22.604  9.0602  87.665     75.588   97.676     302.429  86.998     78.066   24.350  12.184  22.548  9.1476  1.801914       15.23539 
1 1 1 -14 -49 17 o 19.065  8.1264  43.537     66.167   -212.6924  273.883  59.419     68.187   20.967  10.620  20.312  8.4268  0.6558208      13.55745 
1 1 1 -14 -49 18 o 13.304  6.4430  -64.6752   64.113   -282.8375  265.473  -51.1629   66.069   20.162  10.237  14.025  6.7282  6.137397       12.25047 
1 1 1 -14 -49 19 o 13.982  6.7017  -49.8501   65.226   -107.8148  264.914  -46.1094   67.298   21.748  10.951  14.351  6.8597  7.396734       12.92197 
1 1 1 -14 -49 20 o 17.293  7.4287  27.830     56.074   42.494     84.957   16.511     74.641   19.833  8.8127  17.883  8.0778  1.949615       11.95467 
1 1 1 -14 -49 21 f 20.316  7.9436  62.899     56.775   229.954    88.322   -54.7466   74.118   34.627  9.9711  14.724  7.0799  19.90364       12.22900 
1 1 1 -14 -49 22 o 29.513  8.2849  148.269    61.758   181.081    94.221   123.553    81.775   29.350  10.475  25.337  9.6297  4.013784       14.22869 
1 1 1 -14 -49 23 o 19.515  7.8415  54.097     56.774   175.779    94.728   -14.1122   70.923   28.885  10.479  16.082  7.4846  12.80322       12.87702 
1 1 1 -14 -49 24 o 15.046  6.8500  -4.3427    54.979   10.253     93.819   -11.9766   67.850   18.779  8.6943  15.914  7.3769  2.865273       11.40221 
1 1 1 -14 -49 25 o 55.932  6.1202  452.998    81.705   434.687    120.273  468.690    111.341  47.559  10.683  52.236  9.1162  -4.676960      14.04421 
1 1 1 -14 -49 26 o 29.565  8.8363  155.010    68.272   37.310     100.711  255.094    92.868   20.287  9.2495  36.501  10.129  -16.21434      13.71665 
1 1 1 -14 -49 27 o 16.879  7.4612  16.819     60.127   -40.2925   86.814   69.471     83.356   16.399  7.8254  21.438  9.1290  -5.038734      12.02397 
1 1 1 -14 -49 28 o 13.750  6.4705  -29.8765   55.511   -63.7323   81.372   -0.4058    75.919   15.149  7.3168  17.180  7.9065  -2.031105      10.77259 
1 1 1 -14 -49 29 o 25.493  10.118  129.357    93.343   66.938     116.235  242.716    156.641  22.062  10.012  29.198  12.476  -7.135799      15.99632 
1 1 1 -14 -49 30 o 13.155  6.1820  -28.7867   50.369   22.483     103.136  -44.8446   57.720   19.817  9.1542  13.348  6.3726  6.469275       11.15391 
1 1 1 -14 -49 31 f 20.534  8.0073  64.129     57.570   46.598     113.453  70.209     66.811   21.184  9.7181  21.222  8.5138  -0.3786659E-01 12.92002 
1 1 1 -14 -49 32 o 14.578  6.6059  -4.1266    50.382   73.711     108.883  -25.3332   56.833   22.244  9.9244  14.146  6.6219  8.098152       11.93077 
1 1 1 -14 -49 33 o 14.988  6.7253  1.4506     50.771   36.221     110.933  -7.7621    57.102   20.694  9.5362  15.114  6.9190  5.580489       11.78190 
1 1 1 -14 -49 34 o 17.805  6.9962  41.464     44.220   -11.5655   93.973   56.546     50.116   17.997  8.4532  19.629  7.5199  -1.632210      11.31396 
1 1 1 -14 -49 35 o 13.453  6.0816  -5.8147    42.413   34.010     92.137   -16.5225   47.776   19.835  8.9657  13.490  6.2311  6.345466       10.91834 
1 1 1 -14 -49 36 o 18.708  7.0389  49.882     43.423   -10.5401   92.159   67.123     49.230   17.916  8.4011  20.781  7.5516  -2.864563      11.29625 
1 1 1 -14 -49 37 o 16.352  6.8175  26.376     44.942   39.587     96.067   22.675     50.850   20.263  9.1572  16.544  7.0896  3.719130       11.58086 
1 1 1 -14 -49 38 o 53.542  4.9197  391.343    63.199   515.241    122.469  346.374    73.782   53.854  9.7303  48.556  6.4199  5.298611       11.65737 
1 1 1 -14 -49 39 o 21.877  7.5819  76.463     49.104   7.6370     104.953  95.751     55.560   19.328  9.0319  23.914  8.0708  -4.585571      12.11252 
1 1 1 -14 -49 40 o 19.509  7.5034  55.539     50.020   169.108    132.269  36.587     54.033   26.697  11.437  17.914  7.4725  8.782585       13.66192 
1 1 1 -14 -49 41 o 29.030  9.3627  156.389    75.041   163.044    114.313  151.350    99.476   26.977  11.021  26.843  10.509  0.1340256      15.22897 
1 1 1 -14 -49 42 o 17.713  8.3946  -23.6652   96.531   -23.6652   96.531   0.0000     0.0000   17.713  8.3946  ?       ?       0.000000       8.394573 
1 1 1 -14 -49 43 o 24.455  11.119  119.965    144.226  119.965    144.226  0.0000     0.0000   24.455  11.119  ?       ?       0.000000       11.11853 
1 1 1 -14 -49 44 o 13.339  6.2005  -20.7806   48.449   -3.5167    97.333   -26.4670   55.861   18.521  8.6686  13.980  6.5507  4.541414       10.86539 
1 1 1 -14 -49 45 o 11.455  5.4612  -38.4772   42.095   -44.0452   119.143  -37.6830   44.997   18.479  8.9077  11.948  5.6823  6.531413       10.56575 
1 1 1 -14 -49 46 f 17.594  7.7137  23.266     63.059   78.006     149.669  11.452     69.531   23.172  10.814  17.365  7.8244  5.806763       13.34764 
1 1 1 -14 -49 47 o 22.451  8.7001  83.561     67.638   44.283     155.694  92.698     75.094   22.328  10.605  23.185  9.1149  -0.8575706     13.98353 
1 1 1 -14 -49 48 o 14.943  6.8555  -10.1148   56.476   -87.4497   145.918  3.5112     61.250   18.860  9.2599  16.215  7.3215  2.645090       11.80464 
1 1 1 -14 -49 49 o 25.443  7.9690  107.583    54.698   -1.9694    161.309  121.815    58.142   21.277  10.283  26.888  8.1812  -5.610853      13.14058 
1 1 1 -14 -49 50 o 17.922  7.2728  39.784     49.360   229.173    132.370  9.1972     53.196   29.995  12.001  15.767  6.9913  14.22769       13.88923 
1 1 1 -14 -49 51 o 13.448  6.0503  -3.5994    41.391   -76.2998   125.568  5.2630     43.841   17.927  8.7570  14.429  6.3750  3.497329       10.83166 
1 1 1 -14 -49 52 o 14.239  6.4901  -6.8918    49.537   0.0000     0.0000   -6.8918    49.537   ?       ?       14.239  6.4901  0.000000       6.490139 
1 1 1 -14 -49 53 o 25.829  9.5361  130.603    78.963   0.0000     0.0000   130.603    78.963   ?       ?       25.829  9.5361  0.000000       9.536111 
1 1 1 -14 -49 54 o 12.767  6.2231  -71.1609   62.461   0.0000     0.0000   -71.1609   62.461   ?       ?       12.767  6.2231  0.000000       6.223069 
1 1 1 -14 -49 55 o 15.370  7.1065  -6.7482    62.368   -177.1013  161.379  23.163     67.623   17.339  8.7071  17.420  7.7930  -0.8105850E-01 11.68522 
1 1 1 -14 -48 6  o 12.143  5.9429  -75.1043   58.641   -92.9730   87.407   -60.4788   79.078   14.557  7.1509  14.774  7.1549  -0.2170210     10.11571 
1 1 1 -14 -48 7  o 20.183  8.3935  60.808     67.879   -15.5619   101.669  122.229    91.177   18.016  8.5603  24.551  9.9119  -6.535784      13.09671 
1 1 1 -14 -48 8  o 19.505  8.2899  49.365     68.494   -27.7302   97.488   124.522    96.255   17.492  8.3317  24.814  10.123  -7.321960      13.11071 
1 1 1 -14 -48 9  o 14.033  6.5429  -21.8359   54.592   -91.6100   76.539   50.420     77.888   13.811  6.7655  20.058  8.6860  -6.247106      11.00998 
1 1 1 -14 -48 10 o 15.596  7.0708  -0.9437    57.810   -27.5495   85.020   21.935     78.841   16.772  7.9275  18.552  8.3480  -1.780128      11.51230 
1 1 1 -14 -48 11 o 20.024  8.0401  57.152     59.639   65.791     82.312   47.605     86.531   21.330  9.0770  20.388  8.9844  0.9419365      12.77150 
1 1 1 -14 -48 12 o 12.655  6.0577  -47.4720   52.907   -11.6945   74.874   -83.1489   74.769   16.671  7.7357  13.962  6.8062  2.709812       10.30368 
1 1 1 -14 -48 13 o 30.688  8.5806  160.592    66.383   52.893     95.540   261.115    92.303   21.054  9.3507  37.604  9.9586  -16.55001      13.66050 
1 1 1 -14 -48 14 o 19.115  7.7743  47.964     56.554   84.322     83.336   16.926     76.998   22.614  9.3436  18.244  8.2257  4.370333       12.44852 
1 1 1 -14 -48 15 o 12.279  6.0063  -80.7120   59.664   191.683    267.577  -94.9640   61.205   26.064  12.743  12.024  5.9218  14.04029       14.05161 
1 1 1 -14 -48 16 o 20.699  8.9423  55.668     82.163   617.316    278.154  1.9779     86.000   34.711  15.644  18.108  8.3628  16.60325       17.73893 
1 1 1 -14 -48 17 o 14.353  6.8725  -51.0270   68.197   -4.5791    261.807  -54.4080   70.636   23.277  11.598  14.486  6.9514  8.791080       13.52154 
1 1 1 -14 -48 18 o 27.192  9.9321  143.699    85.317   82.970     258.948  151.094    90.362   24.428  12.059  27.516  10.193  -3.088280      15.78962 
1 1 1 -14 -48 19 o 9.9345  5.0322  -185.8052  61.540   153.341    249.962  -207.6880  63.494   25.535  12.447  9.7935  4.9761  15.74096       13.40506 
1 1 1 -14 -48 20 o 17.971  8.1503  11.560     76.888   219.158    242.137  -11.7202   81.085   26.835  12.876  17.186  7.9999  9.648817       15.15861 
1 1 1 -14 -48 21 o 20.164  8.5891  51.323     73.828   -105.3944  192.087  78.487     79.971   20.478  10.158  22.215  9.1636  -1.737041      13.68085 
1 1 1 -14 -48 22 o 22.472  9.0703  82.052     76.332   -115.9177  184.017  123.196    83.890   20.071  9.9542  25.650  9.7524  -5.578985      13.93536 
1 1 1 -14 -48 23 o 26.004  9.0528  119.932    70.042   204.669    197.168  107.695    74.930   27.270  12.618  24.644  9.2514  2.626026       15.64616 
1 1 1 -14 -48 24 o 25.850  8.3213  112.145    59.298   122.651    97.797   106.037    74.570   25.343  10.254  24.541  9.2260  0.8020992      13.79324 
1 1 1 -14 -48 25 o 20.790  8.2642  63.302     62.370   -36.6824   91.766   149.139    85.027   17.137  8.1399  27.956  9.9536  -10.81933      12.85816 
1 1 1 -14 -48 26 o 25.616  8.5889  111.606    62.918   102.317    95.123   118.830    83.891   24.102  9.9724  25.452  9.7343  -1.349625      13.93577 
1 1 1 -14 -48 27 o 17.600  7.4994  28.125     56.319   -8.8807    88.095   53.704     73.240   17.968  8.3555  20.453  8.6261  -2.484688      12.00928 
1 1 1 -14 -48 28 o 24.170  8.6232  97.986     63.849   140.725    89.877   54.442     90.720   27.081  10.139  21.197  9.2738  5.883841       13.74046 
1 1 1 -14 -48 29 o 36.934  5.8974  193.789    51.074   202.554    97.584   190.482    59.939   31.815  10.696  35.355  7.2309  -3.539757      12.91109 
1 1 1 -14 -48 30 o 15.530  6.5181  19.387     41.493   44.832     85.484   11.544     47.458   20.472  8.9781  15.507  6.7477  4.964311       11.23109 
1 1 1 -14 -48 31 o 14.667  6.5643  -0.8265    48.037   72.282     89.556   -30.3567   56.917   22.240  9.4663  14.057  6.5951  8.182732       11.53715 
1 1 1 -14 -48 32 o 19.811  7.9207  53.200     57.610   46.991     113.561  55.352     66.851   21.700  9.8661  20.363  8.3865  1.337019       12.94884 
1 1 1 -14 -48 33 o 36.618  7.7109  209.430    66.346   188.958    130.197  216.611    77.108   28.706  11.749  35.817  8.9093  -7.110979      14.74504 
1 1 1 -14 -48 34 o 24.263  8.5340  98.211     62.322   184.886    122.025  67.624     72.489   28.798  11.523  21.487  8.7775  7.310785       14.48506 
1 1 1 -14 -48 35 o 17.326  7.4462  24.226     56.383   -152.4777  116.335  78.476     64.460   16.010  7.9358  22.264  8.5286  -6.253656      11.64960 
1 1 1 -14 -48 36 o 17.485  7.0104  36.079     45.267   20.996     94.681   40.548     51.540   19.701  8.9770  18.325  7.4333  1.375738       11.65500 
1 1 1 -14 -48 37 o 19.492  7.4058  53.764     48.356   67.721     102.484  49.767     54.845   22.247  9.7916  19.342  7.7300  2.904230       12.47515 
1 1 1 -14 -48 38 o 31.220  7.2181  149.967    53.587   64.508     109.261  177.033    61.490   22.246  9.9322  33.490  7.7246  -11.24346      12.58248 
1 1 1 -14 -48 39 o 31.686  6.8670  151.338    51.270   147.394    107.785  152.492    58.287   26.806  10.793  30.910  7.7778  -4.104628      13.30326 
1 1 1 -14 -48 40 o 22.565  9.9549  73.708     106.530  73.708     106.530  0.0000     0.0000   22.565  9.9549  ?       ?       0.000000       9.954941 
1 1 1 -14 -48 41 o 20.488  9.2607  36.405     98.297   36.405     98.297   0.0000     0.0000   20.488  9.2607  ?       ?       0.000000       9.260694 
1 1 1 -14 -48 42 o 16.756  7.3885  14.430     58.606   -9.0170    106.603  24.586     70.160   19.068  8.9714  18.308  8.0778  0.7600098      12.07213 
1 1 1 -14 -48 43 o 15.123  6.8811  -6.2119    55.385   48.420     124.140  -19.7885   61.885   21.895  10.089  15.096  7.0143  6.799061       12.28775 
1 1 1 -14 -48 44 o 22.923  7.7291  84.059     50.955   179.886    121.854  63.751     56.095   28.188  11.431  20.649  7.9450  7.538904       13.92093 
1 1 1 -14 -48 45 o 13.662  6.1828  -6.9607    43.971   -64.2344   119.510  2.0062     47.288   18.153  8.7927  14.718  6.5553  3.435151       10.96738 
1 1 1 -14 -48 46 o 24.818  7.6732  99.046     50.897   41.266     132.684  109.015    55.113   21.911  10.211  25.769  7.9875  -3.857937      12.96378 
1 1 1 -14 -48 47 o 13.245  6.3289  -47.9436   57.203   71.205     121.437  -81.9207   64.848   22.761  10.290  12.933  6.3122  9.828248       12.07184 
1 1 1 -14 -48 48 o 15.592  7.1275  -7.7058    60.296   16.980     147.318  -12.6734   66.085   21.687  10.305  15.917  7.3437  5.769796       12.65365 
1 1 1 -14 -48 49 o 15.826  7.1292  0.7597     57.684   -143.6282  144.778  28.006     62.891   17.960  8.8933  18.069  7.8149  -0.1092014     11.83909 
1 1 1 -14 -48 50 o 18.972  7.4105  48.636     49.373   7.7834     163.887  52.714     51.778   21.964  10.553  19.483  7.5948  2.481575       13.00183 
1 1 1 -14 -48 51 o 10.984  5.3235  -56.1145   43.954   0.0000     0.0000   -56.1145   43.954   ?       ?       10.984  5.3235  0.000000       5.323477 
1 1 1 -14 -48 52 o 24.672  7.9613  99.861     54.253   0.0000     0.0000   99.861     54.253   ?       ?       24.672  7.9613  0.000000       7.961251 
1 1 1 -14 -48 53 o 22.265  7.8120  79.537     52.207   59.653     125.430  83.704     57.417   22.193  10.195  22.619  8.1652  -0.4258690     13.06153 
1 1 1 -14 -48 54 f 13.024  6.3438  -75.5358   64.571   -78.7393   170.395  -74.9987   69.775   19.962  9.8408  13.634  6.6305  6.327933       11.86616 
1 1 1 -14 -48 55 o 16.398  7.4546  3.3255     64.808   -32.0141   180.753  8.5386     69.424   20.910  10.274  17.057  7.7392  3.853302       12.86309 
1 1 1 -14 -48 56 o 17.893  7.8899  28.260     66.832   35.542     168.943  26.909     72.768   21.696  10.495  18.167  8.1088  3.528656       13.26266 
1 1 1 -14 -47 4  o 16.385  7.6846  -16.3921   77.157   0.0000     0.0000   -16.3921   77.157   ?       ?       16.385  7.6846  0.000000       7.684564 
1 1 1 -14 -47 5  o 22.086  8.4934  81.162     64.083   135.297    99.283   42.503     83.901   25.604  10.341  19.815  8.7836  5.788475       13.56778 
1 1 1 -14 -47 6  o 26.650  9.2075  129.724    72.391   102.928    107.543  151.924    97.888   23.794  10.255  27.107  10.477  -3.313438      14.66064 
1 1 1 -14 -47 7  o 26.300  9.0338  123.031    69.637   165.535    104.072  88.573     93.705   28.008  10.809  23.071  9.7451  4.937002       14.55341 
1 1 1 -14 -47 8  o 13.472  6.4418  -49.3925   59.457   -113.5594  86.808   7.3127     81.604   14.377  7.0751  18.191  8.3063  -3.813728      10.91108 
1 1 1 -14 -47 9  o 33.164  8.3365  180.623    67.010   145.828    97.494   211.779    92.255   27.120  10.463  33.177  10.343  -6.056997      14.71214 
1 1 1 -14 -47 10 o 20.711  8.2788  61.565     62.921   22.881     89.854   98.785     88.139   19.527  8.8374  23.931  9.7159  -4.404753      13.13389 
1 1 1 -14 -47 11 o 11.188  5.4461  -64.6760   47.372   -36.7390   66.073   -94.2263   67.954   14.813  6.9975  12.944  6.3478  1.868718       9.447728 
1 1 1 -14 -47 12 o 30.136  8.1896  149.108    61.447   144.667    90.219   152.951    83.922   27.341  10.173  28.438  9.9087  -1.096851      14.20147 
1 1 1 -14 -47 13 o 18.404  7.5422  40.160     53.738   72.373     79.416   12.955     72.984   21.936  9.0970  17.884  8.0411  4.051910       12.14146 
1 1 1 -14 -47 14 o 19.409  7.7662  50.333     55.433   120.470    85.203   -1.1417    72.993   25.556  9.8016  17.140  7.8380  8.416143       12.55015 
1 1 1 -14 -47 15 o 21.749  7.9328  73.792     54.397   88.128     83.641   63.283     71.611   23.128  9.4359  21.085  8.6813  2.043066       12.82194 
1 1 1 -14 -47 16 o 12.954  6.1463  -39.7555   52.045   68.234     80.931   -115.9060  67.961   21.720  9.1091  12.328  6.1026  9.391893       10.96437 
1 1 1 -14 -47 17 o 20.508  7.8431  61.640     54.459   -0.3280    81.710   111.167    73.048   17.909  8.2272  25.194  9.1921  -7.285652      12.33623 
1 1 1 -14 -47 18 o 22.763  8.1980  82.852     57.836   38.931     89.455   114.398    75.813   20.365  9.0463  25.445  9.3522  -5.080717      13.01148 
1 1 1 -14 -47 19 o 23.511  8.4003  89.962     60.611   160.613    87.431   24.593     84.100   29.094  10.115  19.365  8.6749  9.728886       13.32551 
1 1 1 -14 -47 20 o 22.308  9.1112  75.257     78.089   260.113    193.784  39.420     85.323   29.911  13.299  20.271  8.9277  9.640709       16.01813 
1 1 1 -14 -47 21 o 12.847  6.2592  -80.2115   62.968   7.9172     165.728  -95.0805   68.073   22.394  10.720  12.997  6.3696  9.397200       12.46978 
1 1 1 -14 -47 22 o 22.062  8.8024  72.751     71.000   -11.6225   176.166  89.113     77.580   22.333  10.782  23.472  9.2528  -1.138971      14.20772 
1 1 1 -14 -47 23 o 29.486  9.8539  158.086    82.814   148.558    183.505  160.522    92.801   26.762  12.307  29.046  10.393  -2.283487      16.10836 
1 1 1 -14 -47 24 f 22.648  8.9265  78.489     72.197   29.956     175.203  88.416     79.238   23.439  11.166  23.531  9.3272  -0.9213638E-01 14.54889 
1 1 1 -14 -47 25 o 18.161  7.8289  25.775     62.698   112.420    168.775  11.903     67.531   25.756  11.829  17.657  7.8510  8.099125       14.19769 
1 1 1 -14 -47 26 o 20.630  7.9272  59.778     55.796   30.764     89.533   78.200     71.343   20.280  9.0273  22.683  8.8948  -2.402658      12.67313 
1 1 1 -14 -47 27 o 17.506  7.4327  25.103     54.960   27.405     84.912   23.443     72.101   19.857  8.8175  18.768  8.2377  1.089407       12.06684 
1 1 1 -14 -47 28 o 13.348  6.2535  -31.3711   50.865   -103.6942  80.950   15.814     65.386   14.292  6.9919  17.769  7.8210  -3.477053      10.49063 
1 1 1 -14 -47 29 o 26.333  7.2513  105.413    47.803   109.176    90.894   103.974    56.204   25.308  10.003  25.594  8.0869  -0.2856674     12.86299 
1 1 1 -14 -47 30 f 20.073  7.3797  56.617     47.211   231.438    141.030  34.553     50.101   31.794  12.494  17.942  7.3095  13.85205       14.47484 
1 1 1 -14 -47 31 o 22.303  7.1506  74.392     43.821   65.456     92.509   76.978     49.757   22.441  9.5882  22.526  7.6375  -0.8439255E-01 12.25827 
1 1 1 -14 -47 32 o 30.584  6.8200  137.865    49.322   178.508    98.162   124.140    57.045   30.587  10.713  28.029  7.9956  2.558054       13.36789 
1 1 1 -14 -47 33 o 20.370  7.9079  56.564     55.957   98.255     115.338  43.730     63.993   24.778  10.649  19.656  8.1600  5.122080       13.41624 
1 1 1 -14 -47 34 o 21.133  8.2003  63.139     60.151   163.032    118.981  28.842     69.717   28.460  11.381  18.956  8.2132  9.504919       14.03545 
1 1 1 -14 -47 35 o 17.846  7.4824  29.677     54.585   68.176     118.667  19.345     61.475   23.327  10.388  17.652  7.6804  5.675186       12.91860 
1 1 1 -14 -47 36 o 22.034  8.4114  72.514     62.564   282.138    124.759  2.0875     72.314   36.449  12.091  17.539  7.9339  18.90997       14.46198 
1 1 1 -14 -47 37 o 20.746  7.5215  62.678     48.797   -54.7645   114.914  88.514     53.898   18.562  8.8968  23.749  7.9495  -5.186359      11.93091 
1 1 1 -14 -47 38 o 23.622  7.4476  85.947     47.690   106.565    104.650  80.543     53.576   24.945  10.402  22.793  7.9184  2.152287       13.07287 
1 1 1 -14 -47 39 o 16.115  7.7514  -67.2187   89.015   -67.2187   89.015   0.0000     0.0000   16.115  7.7514  ?       ?       0.000000       7.751382 
1 1 1 -14 -47 40 o 18.560  8.7024  -18.8854   98.856   -18.8854   98.856   0.0000     0.0000   18.560  8.7024  ?       ?       0.000000       8.702403 
1 1 1 -14 -47 41 o 19.222  7.2760  50.594     46.565   -27.7347   96.782   74.187     53.117   18.056  8.5113  21.986  7.8629  -3.929501      11.58738 
1 1 1 -14 -47 42 o 17.562  6.6374  39.822     38.710   46.158     101.869  38.752     41.850   21.419  9.5746  17.633  6.8406  3.786125       11.76721 
1 1 1 -14 -47 43 o 20.462  6.8623  61.843     40.164   142.179    100.727  46.655     43.796   27.045  10.579  18.622  7.0546  8.422987       12.71543 
1 1 1 -14 -47 44 o 17.401  6.5038  39.526     36.953   109.189    98.061   27.996     39.895   24.801  10.179  16.277  6.5617  8.523418       12.11054 
1 1 1 -14 -47 45 o 21.481  7.5827  70.357     49.244   161.016    133.493  56.077     52.981   27.301  11.587  19.974  7.7111  7.327028       13.91834 
1 1 1 -14 -47 46 o 18.726  7.3203  45.882     48.208   -41.2592   123.303  61.605     52.378   19.212  9.2103  20.520  7.7287  -1.308050      12.02344 
1 1 1 -14 -47 47 o 16.402  6.9266  22.100     47.322   -72.6893   124.182  38.203     51.184   18.423  8.9333  18.153  7.3910  0.2699375      11.59444 
1 1 1 -14 -47 48 o 20.687  8.4619  58.194     67.481   -8.2998    137.271  79.384     77.491   20.847  9.9178  22.586  9.1309  -1.738710      13.48102 
1 1 1 -14 -47 49 o 17.785  7.8068  19.928     64.761   31.734     190.242  18.381     68.874   23.485  11.305  18.011  7.9722  5.474205       13.83328 
1 1 1 -14 -47 50 o 18.570  8.1370  25.608     70.083   0.0000     0.0000   25.608     70.083   ?       ?       18.570  8.1370  0.000000       8.137009 
1 1 1 -14 -47 51 o 13.358  6.1986  -22.4759   48.089   0.0000     0.0000   -22.4759   48.089   ?       ?       13.358  6.1986  0.000000       6.198650 
1 1 1 -14 -47 52 f 30.970  7.5204  148.924    55.948   104.283    130.782  158.924    61.898   24.719  10.961  31.478  8.0671  -6.758827      13.60983 
1 1 1 -14 -47 53 o 15.474  6.6641  13.615     45.340   57.065     102.795  3.1203     50.520   21.886  9.7109  15.267  6.7891  6.619459       11.84877 
1 1 1 -14 -47 54 o 17.613  7.0863  36.390     46.429   72.180     105.567  27.806     51.697   22.611  9.9453  17.234  7.2567  5.376949       12.31130 
1 1 1 -14 -47 55 o 25.292  9.2653  114.100    74.324   59.672     192.692  123.613    80.558   23.701  11.401  25.906  9.6186  -2.205772      14.91647 
1 1 1 -14 -47 56 o 15.448  7.1665  -16.3872   64.218   -180.2448  185.022  6.0560     68.475   19.055  9.5333  17.013  7.7061  2.041292       12.25832 
1 1 1 -14 -47 57 o 18.901  8.2238  37.815     70.479   90.790     194.989  29.854     75.590   23.700  11.417  18.700  8.3108  4.999866       14.12172 
1 1 1 -14 -46 2  o 16.283  7.7392  -34.8956   83.206   0.0000     0.0000   -34.8956   83.206   ?       ?       16.283  7.7392  0.000000       7.739227 
1 1 1 -14 -46 3  o 17.682  8.1122  2.7257     79.068   0.0000     0.0000   2.7257     79.068   ?       ?       17.682  8.1122  0.000000       8.112192 
1 1 1 -14 -46 4  o 26.986  8.9115  127.200    67.796   68.983     108.393  164.610    86.890   22.409  9.9559  29.241  10.088  -6.832117      14.17376 
1 1 1 -14 -46 5  o 15.421  7.0181  -6.7435    57.642   -162.0684  90.474   99.383     74.786   13.664  6.8096  24.142  9.2011  -10.47868      11.44687 
1 1 1 -14 -46 6  o 17.453  7.6610  17.797     62.368   14.906     90.127   20.453     86.394   19.296  8.7792  19.334  8.7157  -0.3833961E-01 12.37084 
1 1 1 -14 -46 7  o 18.027  7.7776  26.255     61.985   30.426     89.626   22.430     85.817   20.066  8.9746  19.436  8.7310  0.6298180      12.52088 
1 1 1 -14 -46 8  o 30.524  8.5420  154.222    65.759   33.636     97.671   254.201    88.935   20.651  9.2922  38.260  9.5967  -17.60829      13.35820 
1 1 1 -14 -46 9  o 23.207  8.5682  86.668     63.747   16.427     92.782   149.471    87.732   19.561  8.9029  28.219  10.104  -8.657475      13.46667 
1 1 1 -14 -46 10 o 17.571  7.4847  26.599     56.062   27.348     78.731   25.829     79.848   19.246  8.5209  19.229  8.5441  0.1623154E-01  12.06679 
1 1 1 -14 -46 11 o 21.522  8.0848  70.096     57.243   81.093     81.994   59.641     79.951   22.828  9.3314  21.290  8.9977  1.538071       12.96274 
1 1 1 -14 -46 12 o 14.469  6.6091  -11.7779   51.712   -113.7061  75.887   76.580     70.656   13.356  6.5809  22.313  8.8192  -8.956606      11.00393 
1 1 1 -14 -46 13 o 19.113  7.5516  47.424     51.785   105.707    81.493   7.9482     67.068   24.748  9.5610  17.276  7.7424  7.472136       12.30279 
1 1 1 -14 -46 14 o 12.383  5.8177  -30.6813   44.546   -31.1309   72.075   -30.4034   56.665   15.801  7.4158  14.095  6.6025  1.705700       9.929138 
1 1 1 -14 -46 15 o 26.864  7.8451  114.594    54.330   97.173     85.338   126.467    70.452   24.160  9.6469  27.129  9.0886  -2.969528      13.25391 
1 1 1 -14 -46 16 o 32.607  8.0184  167.992    62.997   273.768    94.367   82.955     84.612   39.603  9.8588  23.187  9.4787  16.41659       13.67628 
1 1 1 -14 -46 17 o 20.775  7.9274  61.434     55.556   21.924     85.749   90.018     72.935   19.576  8.7652  23.691  9.0728  -4.115253      12.61519 
1 1 1 -14 -46 18 o 14.984  6.7400  -4.5614    51.341   -39.3954   77.809   22.298     68.325   16.148  7.6176  18.422  8.0542  -2.274332      11.08588 
1 1 1 -14 -46 19 o 18.816  7.6176  40.826     54.017   111.655    84.180   -8.7529    70.429   25.613  9.7618  16.859  7.7054  8.753685       12.43648 
1 1 1 -14 -46 20 o 15.061  6.7452  -3.2023    50.810   -76.4248   82.303   41.891     64.588   15.324  7.3910  19.630  8.1774  -4.305100      11.02256 
1 1 1 -14 -46 21 o 27.719  8.2310  121.841    59.382   95.335     94.931   138.880    76.112   24.591  10.045  28.545  9.4430  -3.954111      13.78661 
1 1 1 -14 -46 22 o 49.771  6.6016  352.223    77.757   346.256    109.782  358.231    110.149  44.840  10.306  45.848  10.168  -1.007504      14.47771 
1 1 1 -14 -46 23 o 31.046  9.4889  163.106    78.090   8.9592     177.828  199.933    86.919   23.734  11.290  34.010  9.9202  -10.27605      15.02941 
1 1 1 -14 -46 24 o 22.257  8.9531  67.392     74.101   332.902    171.357  6.3205     82.182   36.725  13.944  18.855  8.5001  17.87025       16.33074 
1 1 1 -14 -46 25 o 34.034  9.8805  198.294    86.407   285.220    180.511  172.456    98.415   33.772  13.830  30.706  10.728  3.066084       17.50318 
1 1 1 -14 -46 26 o 14.344  6.7473  -39.6671   60.245   -273.4106  153.742  2.7362     65.482   17.142  8.5930  17.214  7.6869  -0.7193375E-01 11.52944 
1 1 1 -14 -46 27 o 25.403  9.2683  102.869    74.264   -69.8094   166.779  145.576    82.941   21.639  10.457  29.181  9.8609  -7.542465      14.37337 
1 1 1 -14 -46 28 o 12.204  5.6173  -19.4449   38.341   60.094     83.721   -40.5535   43.130   22.224  9.2886  11.785  5.5927  10.43931       10.84234 
1 1 1 -14 -46 29 o 17.522  6.8889  34.080     42.897   6.5335     86.050   43.190     49.484   19.268  8.6910  18.976  7.4170  0.2928371      11.42568 
1 1 1 -14 -46 30 o 27.208  6.9939  108.682    46.426   194.551    92.792   80.010     53.619   33.251  10.374  23.172  7.9280  10.07907       13.05641 
1 1 1 -14 -46 31 o 18.469  7.0106  42.247     43.306   20.132     90.697   48.778     49.288   20.297  9.0564  19.551  7.4652  0.7460365      11.73663 
1 1 1 -14 -46 32 o 12.529  5.7267  -16.1691   38.911   0.7720     85.544   -20.5888   43.693   18.942  8.5930  13.024  5.9953  5.918188       10.47781 
1 1 1 -14 -46 33 o 24.847  7.2905  91.901     46.821   107.214    88.674   85.981     55.133   25.757  9.9671  23.845  8.0398  1.912449       12.80548 
1 1 1 -14 -46 34 o 35.761  6.3213  180.059    52.844   242.876    105.969  159.267    60.966   36.402  11.038  32.376  7.8434  4.025806       13.54094 
1 1 1 -14 -46 35 o 29.099  8.4033  133.534    62.650   45.701     127.417  161.539    71.948   23.286  10.533  31.549  8.9725  -8.262850      13.83639 
1 1 1 -14 -46 36 o 19.160  7.9362  37.398     60.338   52.730     120.766  32.298     69.655   23.281  10.415  19.458  8.3170  3.822628       13.32799 
1 1 1 -14 -46 37 o 24.273  10.576  77.950     116.916  77.950     116.916  0.0000     0.0000   24.273  10.576  ?       ?       0.000000       10.57608 
1 1 1 -14 -46 38 o 42.331  13.564  399.692    157.693  399.692    157.693  0.0000     0.0000   42.331  13.564  ?       ?       0.000000       13.56402 
1 1 1 -14 -46 39 o 22.960  9.7508  68.678     94.635   68.678     94.635   0.0000     0.0000   22.960  9.7508  ?       ?       0.000000       9.750820 
1 1 1 -14 -46 40 o 18.566  7.2302  42.278     46.892   -62.2868   95.560   75.442     53.817   17.071  8.1636  22.438  7.9263  -5.367180      11.37849 
1 1 1 -14 -46 41 f 26.913  6.4625  105.187    41.670   209.171    102.392  84.547     45.618   33.111  10.953  23.690  7.2545  9.421558       13.13719 
1 1 1 -14 -46 42 o 13.048  5.8949  -9.5378    39.774   69.610     95.054   -26.3364   43.792   22.826  9.7351  12.590  5.8666  10.23640       11.36615 
1 1 1 -14 -46 43 o 19.774  7.3049  54.297     46.348   22.900     100.346  62.811     52.256   20.575  9.3230  20.897  7.7491  -0.3219662     12.12305 
1 1 1 -14 -46 44 o 34.450  5.8145  166.174    46.873   208.018    105.629  155.914    52.304   32.401  11.126  32.528  6.8438  -0.1267509     13.06263 
1 1 1 -14 -46 45 o 22.659  6.8879  76.709     41.227   74.819     101.522  77.082     45.114   23.127  9.9660  22.572  7.2573  0.5556126      12.32839 
1 1 1 -14 -46 46 o 27.323  7.5304  115.789    51.528   152.917    141.435  110.106    55.331   27.287  11.761  26.296  7.9765  0.9911442      14.21052 
1 1 1 -14 -46 47 o 16.685  6.9620  24.583     46.922   82.400     138.930  17.139     49.851   24.233  10.976  16.342  7.0118  7.891645       13.02481 
1 1 1 -14 -46 48 o 26.381  7.8158  110.008    53.588   161.999    151.937  102.621    57.268   27.516  12.021  25.247  8.1829  2.269642       14.54183 
1 1 1 -14 -46 49 o 30.629  10.116  173.040    87.355   0.0000     0.0000   173.040    87.355   ?       ?       30.629  10.116  0.000000       10.11571 
1 1 1 -14 -46 50 o 13.984  6.6420  -45.7599   61.091   0.0000     0.0000   -45.7599   61.091   ?       ?       13.984  6.6420  0.000000       6.641967 
1 1 1 -14 -46 51 o 20.268  8.5455  47.207     71.846   226.210    184.158  15.071     78.029   29.626  13.079  18.672  8.3608  10.95447       15.52262 
1 1 1 -14 -46 52 o 34.562  7.0929  177.936    57.488   3.8506     143.792  211.055    62.719   21.828  10.315  37.698  7.1176  -15.87074      12.53219 
1 1 1 -14 -46 53 o 18.824  7.2984  45.668     47.618   41.718     105.499  46.679     53.362   21.582  9.6888  19.238  7.6451  2.344593       12.34183 
1 1 1 -14 -46 54 o 17.021  6.9164  30.285     44.709   -107.1811  99.675   64.909     50.024   15.921  7.7823  20.995  7.6149  -5.074061      10.88807 
1 1 1 -14 -46 55 o 14.793  6.9701  -36.5143   64.771   -42.1834   181.264  -35.6845   69.349   21.879  10.651  15.335  7.2213  6.544190       12.86827 
1 1 1 -14 -46 56 o 13.325  6.4227  -62.6920   61.908   -243.8573  184.389  -39.6755   65.723   18.596  9.3341  14.711  6.9583  3.885579       11.64235 
1 1 1 -14 -46 57 o 24.997  9.3574  110.701    76.552   310.573    197.340  75.296     83.055   31.067  13.633  22.232  9.2683  8.835024       16.48476 
1 1 1 -14 -46 58 o 23.629  9.3731  97.964     80.073   107.110    189.501  95.976     88.348   24.490  11.651  23.446  9.6468  1.043737       15.12673 
1 1 1 -14 -45 1  f 24.909  10.004  113.588    92.359   0.0000     0.0000   113.588    92.359   ?       ?       24.909  10.004  0.000000       10.00409 
1 1 1 -14 -45 2  o 25.488  8.7828  109.953    65.846   111.003    96.004   109.021    90.482   24.938  10.134  24.839  9.9280  0.9905243E-01  14.18700 
1 1 1 -14 -45 3  o 23.480  8.5057  88.484     62.384   184.001    95.716   17.943     82.255   30.834  10.591  19.039  8.5505  11.79478       13.61187 
1 1 1 -14 -45 4  o 18.223  7.7311  30.308     59.390   -17.1252   90.764   65.823     78.537   18.111  8.4417  21.849  9.0525  -3.737644      12.37785 
1 1 1 -14 -45 5  o 14.269  6.7122  -35.7635   59.628   41.992     85.779   -108.4643  82.944   20.680  9.0333  14.338  7.0277  6.341783       11.44505 
1 1 1 -14 -45 6  o 22.088  8.5341  72.736     64.932   46.200     96.075   95.049     88.097   21.409  9.4489  24.179  9.7495  -2.769915      13.57697 
1 1 1 -14 -45 7  o 47.657  6.9424  332.507    77.920   323.966    117.754  339.159    103.926  40.771  11.438  44.353  9.9070  -3.581543      15.13213 
1 1 1 -14 -45 8  o 34.406  8.2632  188.626    68.118   241.924    101.245  144.547    92.072   35.685  10.782  27.868  10.296  7.817253       14.90819 
1 1 1 -14 -45 9  o 21.093  8.2031  63.452     60.297   87.162     88.488   42.900     82.385   23.584  9.6732  20.530  8.9119  3.053699       13.15269 
1 1 1 -14 -45 10 o 15.069  6.7835  -4.3143    52.123   -17.0077   77.109   6.3661     70.731   17.003  7.8756  17.617  7.9191  -0.6144390     11.16855 
1 1 1 -14 -45 11 o 21.162  7.9196  65.213     54.825   29.130     80.399   96.577     74.957   19.649  8.6596  24.288  9.2224  -4.638767      12.65070 
1 1 1 -14 -45 12 o 25.701  7.9555  104.275    54.693   41.700     81.787   154.895    73.561   20.515  8.8924  30.151  9.2086  -9.635839      12.80127 
1 1 1 -14 -45 13 o 15.403  6.8767  -0.5480    52.371   67.953     81.914   -47.9044   68.109   22.280  9.2393  14.800  7.0249  7.479799       11.60664 
1 1 1 -14 -45 14 o 22.400  8.0249  75.492     55.350   111.804    86.729   50.540     71.894   25.685  9.8800  20.692  8.6243  4.993486       13.11460 
1 1 1 -14 -45 15 o 12.666  5.9550  -34.0468   46.822   -21.4944   72.603   -42.9846   61.264   16.529  7.6512  14.247  6.7325  2.282781       10.19155 
1 1 1 -14 -45 16 o 20.410  7.8512  55.609     54.769   8.8463     81.864   93.498     73.689   18.920  8.5108  24.388  9.1707  -5.467615      12.51140 
1 1 1 -14 -45 17 o 13.404  6.2839  -34.2934   51.519   -125.2962  83.909   20.773     65.271   14.171  6.9703  18.320  7.9424  -4.149321      10.56726 
1 1 1 -14 -45 18 o 21.899  8.0803  68.443     56.676   15.445     86.200   108.799    75.220   19.718  8.8114  25.957  9.3491  -6.238800      12.84706 
1 1 1 -14 -45 19 o 25.355  8.2601  99.033     58.319   154.015    90.263   59.634     76.409   29.740  10.281  21.926  8.9905  7.814169       13.65759 
1 1 1 -14 -45 20 o 43.059  6.3884  258.909    64.720   189.172    100.865  307.714    84.381   32.375  10.875  45.483  7.9345  -13.10833      13.46161 
1 1 1 -14 -45 21 o 48.073  5.8672  315.140    67.017   345.707    105.538  294.487    86.752   46.295  9.7056  44.039  8.4254  2.255348       12.85250 
1 1 1 -14 -45 22 o 23.819  8.1366  84.239     56.476   152.792    89.812   39.402     72.634   29.925  10.260  20.403  8.5968  9.521872       13.38590 
1 1 1 -14 -45 23 o 20.149  7.6846  51.466     52.189   37.093     83.582   60.650     66.815   21.017  9.0497  21.758  8.5837  -0.7406654     12.47302 
1 1 1 -14 -45 24 o 35.786  7.7662  189.365    65.498   205.447    94.918   174.747    90.497   34.664  10.432  32.065  10.275  2.598637       14.64293 
1 1 1 -14 -45 25 o 21.927  8.7152  60.496     69.357   65.729     151.620  59.111     77.996   25.574  11.536  22.244  9.0977  3.330629       14.69160 
1 1 1 -14 -45 26 o 25.704  9.3057  101.276    74.656   143.195    164.287  90.367     83.809   28.979  12.582  24.870  9.6713  4.109852       15.86963 
1 1 1 -14 -45 27 o 25.998  9.4211  104.179    76.545   293.955    165.479  52.519     86.337   36.721  13.756  22.274  9.3783  14.44753       16.64839 
1 1 1 -14 -45 28 o 25.814  9.1673  101.971    72.080   -160.3345  150.502  180.045    82.109   19.279  9.4530  33.330  9.6189  -14.05116      13.48633 
1 1 1 -14 -45 29 f 35.863  9.3652  204.430    82.378   244.609    162.295  190.486    95.611   34.091  13.401  33.398  10.547  0.6933594      17.05334 
1 1 1 -14 -45 30 o 41.629  5.4259  231.787    53.503   197.410    99.201   245.888    63.537   33.800  10.751  42.156  6.4138  -8.355309      12.51849 
1 1 1 -14 -45 31 o 15.355  6.4081  14.859     39.763   -11.1994   85.154   22.126     44.966   18.649  8.5039  16.688  6.8761  1.961319       10.93600 
1 1 1 -14 -45 32 o 12.383  5.7271  -24.0149   40.551   -19.4676   84.085   -25.3930   46.290   18.157  8.3432  13.251  6.1251  4.906609       10.35019 
1 1 1 -14 -45 33 o 25.160  7.4274  92.770     48.466   150.969    97.586   73.715     55.839   29.773  10.657  22.755  8.0700  7.017933       13.36747 
1 1 1 -14 -45 34 o 14.855  6.3471  8.5686     40.540   -49.9816   92.463   22.503     45.107   17.659  8.3224  16.720  6.8877  0.9387207      10.80294 
1 1 1 -14 -45 35 o 26.263  7.1647  100.553    46.924   100.479    100.087  100.574    53.124   25.879  10.407  25.961  7.8027  -0.8159256E-01 13.00724 
1 1 1 -14 -45 36 o 19.043  8.7790  -17.8378   94.154   -17.8378   94.154   0.0000     0.0000   19.043  8.7790  ?       ?       0.000000       8.778991 
1 1 1 -14 -45 37 o 25.903  10.955  96.530     118.673  96.530     118.673  0.0000     0.0000   25.903  10.955  ?       ?       0.000000       10.95538 
1 1 1 -14 -45 38 o 40.009  13.401  339.134    153.162  339.134    153.162  0.0000     0.0000   40.009  13.401  ?       ?       0.000000       13.40067 
1 1 1 -14 -45 39 o 43.728  7.4520  278.151    76.232   322.678    151.470  263.047    88.219   38.833  13.324  40.795  9.1392  -1.961876      16.15741 
1 1 1 -14 -45 40 o 31.527  5.9837  138.121    44.099   178.650    101.408  128.669    48.973   31.435  10.896  29.789  6.9093  1.646055       12.90167 
1 1 1 -14 -45 41 o 9.8449  4.7112  -37.8362   31.945   3.5106     90.998   -43.6477   34.116   19.536  8.8625  9.9736  4.7976  9.561943       10.07775 
1 1 1 -14 -45 42 o 14.884  6.1953  15.145     37.029   48.134     96.602   9.4634     40.091   22.093  9.6201  14.750  6.3073  7.342870       11.50342 
1 1 1 -14 -45 43 o 16.811  6.4822  32.333     37.402   45.436     95.185   29.941     40.674   21.797  9.5187  16.835  6.6796  4.961943       11.62853 
1 1 1 -14 -45 44 o 15.919  6.3258  25.681     36.531   75.716     101.848  18.294     39.135   23.670  10.086  15.420  6.3897  8.249841       11.93928 
1 1 1 -14 -45 45 o 24.562  6.8070  88.920     41.971   62.901     109.294  93.420     45.457   23.134  10.149  24.986  7.1408  -1.852219      12.40912 
1 1 1 -14 -45 46 o 23.222  6.8111  79.552     40.873   87.226     113.910  78.418     43.789   24.425  10.541  22.943  7.1212  1.481863       12.72081 
1 1 1 -14 -45 47 o 30.009  8.0227  141.177    59.543   0.0000     0.0000   141.177    59.543   ?       ?       30.009  8.0227  0.000000       8.022747 
1 1 1 -14 -45 48 o 18.674  7.4837  40.844     51.561   0.0000     0.0000   40.844     51.561   ?       ?       18.674  7.4837  0.000000       7.483687 
1 1 1 -14 -45 49 o 28.018  8.2464  125.487    59.823   0.0000     0.0000   125.487    59.823   ?       ?       28.018  8.2464  0.000000       8.246357 
1 1 1 -14 -45 50 o 11.631  5.6540  -68.9808   50.599   -94.7901   109.093  -61.9067   57.114   17.142  8.3261  12.851  6.1878  4.291842       10.37368 
1 1 1 -14 -45 51 o 33.080  9.1338  182.898    75.726   155.399    141.307  193.977    89.693   27.804  11.864  32.776  10.195  -4.971855      15.64254 
1 1 1 -14 -45 52 o 37.336  8.9253  226.836    79.759   306.250    148.076  194.379    94.665   36.236  13.108  32.397  10.522  3.838573       16.80863 
1 1 1 -14 -45 53 o 20.128  7.4489  56.256     48.236   46.313     106.907  58.798     54.051   22.108  9.8509  20.602  7.8294  1.505674       12.58329 
1 1 1 -14 -45 54 o 12.443  5.8113  -27.8857   43.362   -91.3164   101.689  -13.7887   47.939   16.671  8.0838  13.988  6.3791  2.683643       10.29766 
1 1 1 -14 -45 55 o 13.671  6.1813  -9.4919    43.836   -10.6741   108.125  -9.2594    47.953   19.725  9.2006  14.268  6.4568  5.457641       11.24013 
1 1 1 -14 -45 56 f 13.516  6.5254  -69.3157   64.544   -66.9412   182.268  -69.6562   69.016   21.728  10.600  14.046  6.7729  7.682483       12.57906 
1 1 1 -14 -45 57 o 27.300  9.4933  130.881    77.015   -120.6185  190.816  179.824    84.176   20.915  10.330  31.580  9.8851  -10.66529      14.29750 
1 1 1 -14 -45 58 o 19.213  8.2857  35.418     70.289   -219.7070  185.899  77.976     75.926   19.021  9.5220  22.504  9.0591  -3.483742      13.14295 
1 1 1 -14 -45 59 o 21.534  8.8308  68.638     73.729   33.579     192.744  74.647     79.798   23.238  11.233  22.102  9.1384  1.135597       14.48074 
1 1 1 -14 -44 1  o 15.137  6.9834  -19.1544   59.735   -65.8948   85.378   25.666     83.606   15.905  7.6351  19.692  8.7467  -3.787679      11.61028 
1 1 1 -14 -44 2  o 24.284  8.5433  93.853     62.460   112.471    91.351   77.507     85.594   25.631  10.061  23.064  9.4931  2.566854       13.83238 
1 1 1 -14 -44 3  o 22.660  8.4662  77.509     62.604   92.042     95.685   66.632     82.781   24.288  10.022  22.283  9.2682  2.005325       13.65042 
1 1 1 -14 -44 4  o 20.065  8.1127  49.704     61.180   107.152    95.384   9.5484     79.745   25.311  10.166  18.667  8.3981  6.644497       13.18638 
1 1 1 -14 -44 5  o 26.515  8.9647  116.564    68.551   168.006    101.344  73.176     93.073   29.673  10.827  23.008  9.7150  6.664963       14.54660 
1 1 1 -14 -44 6  o 35.433  8.3042  197.979    70.150   313.596    105.094  105.071    94.209   42.222  10.341  25.113  10.098  17.10831       14.45299 
1 1 1 -14 -44 7  o 39.621  7.7817  238.841    72.140   131.961    109.033  322.059    96.210   26.855  10.840  44.374  9.2361  -17.51874      14.24124 
1 1 1 -14 -44 8  o 32.634  8.3059  168.807    65.935   123.580    99.533   204.173    88.016   26.431  10.461  34.013  10.0000 -7.581665      14.47193 
1 1 1 -14 -44 9  o 10.523  5.1678  -77.5449   45.524   -48.0722   68.960   -100.3111  60.608   14.933  7.0823  12.009  5.9103  2.923854       9.224483 
1 1 1 -14 -44 10 o 25.141  8.0978  98.775     56.149   242.235    86.681   -4.9403    73.702   38.196  9.4133  17.461  7.9424  20.73477       12.31637 
1 1 1 -14 -44 11 o 28.664  7.8299  126.627    55.999   95.462     83.557   152.037    75.450   24.601  9.6319  30.076  9.3496  -5.475023      13.42343 
1 1 1 -14 -44 12 o 9.7234  4.8035  -80.9348   41.346   -143.9621  67.155   -42.4583   52.470   11.736  5.8519  13.133  6.2137  -1.396650      8.535520 
1 1 1 -14 -44 13 o 25.646  8.0966  101.280    56.348   118.416    87.858   89.305     73.443   26.672  10.017  24.201  9.1432  2.471434       13.56225 
1 1 1 -14 -44 14 f 34.562  7.7998  179.207    63.857   107.542    98.717   230.771    83.736   25.980  10.375  37.953  9.1907  -11.97255      13.86042 
1 1 1 -14 -44 15 o 58.687  5.6511  464.632    79.476   235.963    125.029  619.675    102.952  34.721  12.095  66.879  6.4232  -32.15839      13.69441 
1 1 1 -14 -44 16 o 32.021  7.8060  153.290    60.099   89.335     92.273   200.409    79.202   24.844  9.9919  35.523  9.1370  -10.67855      13.53971 
1 1 1 -14 -44 17 o 42.833  6.5825  256.067    66.222   225.453    99.922   280.046    88.432   36.173  10.661  42.715  8.8242  -6.542812      13.83905 
1 1 1 -14 -44 18 o 18.087  7.4946  27.502     53.840   13.314     83.297   37.684     70.561   19.739  8.7506  20.278  8.5049  -0.5391331     12.20277 
1 1 1 -14 -44 19 o 36.352  7.0358  187.861    59.816   179.368    94.885   193.463    77.056   32.519  10.532  35.285  8.9781  -2.766464      13.83961 
1 1 1 -14 -44 20 o 14.307  6.5044  -16.4763   49.351   -86.9261   79.563   27.578     62.917   15.093  7.2763  19.002  8.0035  -3.908796      10.81665 
1 1 1 -14 -44 21 o 31.942  7.4627  147.892    56.796   165.660    92.001   136.951    72.195   31.595  10.379  29.628  9.1351  1.967325       13.82629 
1 1 1 -14 -44 22 o 24.900  7.9812  90.553     54.594   83.761     88.892   94.666     69.177   24.818  9.8659  25.326  8.9822  -0.5074711     13.34227 
1 1 1 -14 -44 23 o 26.633  8.0751  104.831    56.716   72.010     86.486   129.597    75.126   23.921  9.6549  28.846  9.3739  -4.924726      13.45688 
1 1 1 -14 -44 24 o 22.020  7.8118  65.974     52.328   47.176     82.317   78.721     67.787   21.999  9.2038  23.820  8.8274  -1.821043      12.75274 
1 1 1 -14 -44 25 o 15.114  6.7287  -6.2905    49.761   1.3416     84.011   -10.4151   61.760   19.420  8.6871  16.426  7.3901  2.994606       11.40520 
1 1 1 -14 -44 26 o 29.620  8.2544  130.481    61.539   109.689    88.645   149.823    85.498   27.004  10.077  30.638  10.002  -3.634245      14.19841 
1 1 1 -14 -44 27 o 31.191  9.4627  151.887    77.865   140.970    162.512  155.140    88.711   29.881  12.736  31.057  10.191  -1.175831      16.31141 
1 1 1 -14 -44 28 o 19.299  8.1289  26.943     64.903   145.259    141.878  -4.3689    72.988   29.916  12.257  18.076  8.0905  11.84080       14.68641 
1 1 1 -14 -44 29 o 21.652  8.6946  52.240     69.753   -28.1043   149.163  74.726     78.913   22.992  10.752  23.945  9.3644  -0.9529953     14.25784 
1 1 1 -14 -44 30 o 25.426  9.3311  93.136     75.431   187.470    154.969  63.845     86.351   32.218  12.952  23.467  9.5825  8.750229       16.11131 
1 1 1 -14 -44 31 o 31.484  9.5167  155.061    78.864   221.114    151.538  130.526    92.356   34.189  13.081  28.786  10.360  5.402699       16.68714 
1 1 1 -14 -44 32 o 29.696  7.0586  125.189    50.113   130.857    119.229  123.972    55.228   28.851  11.440  29.193  7.6897  -0.3423634     13.78393 
1 1 1 -14 -44 33 o 11.281  5.3656  -42.8813   40.133   -5.0238    88.113   -52.7908   45.081   19.477  8.7891  11.672  5.5884  7.805639       10.41532 
1 1 1 -14 -44 34 o 12.837  5.8965  -21.9187   41.954   35.318     90.899   -37.4119   47.293   21.844  9.4214  12.817  6.0126  9.026934       11.17651 
1 1 1 -14 -44 35 o 14.122  6.9383  -132.6341  82.389   -132.6341  82.389   0.0000     0.0000   14.122  6.9383  ?       ?       0.000000       6.938341 
1 1 1 -14 -44 36 o 31.108  10.765  161.625    98.969   161.625    98.969   0.0000     0.0000   31.108  10.765  ?       ?       0.000000       10.76484 
1 1 1 -14 -44 37 o 20.806  9.2052  17.457     91.725   17.457     91.725   0.0000     0.0000   20.806  9.2052  ?       ?       0.000000       9.205242 
1 1 1 -14 -44 38 o 17.457  7.5319  12.851     58.133   131.880    126.158  -19.2366   65.502   28.580  11.616  16.299  7.4422  12.28086       13.79569 
1 1 1 -14 -44 39 o 40.457  6.7438  228.648    63.869   326.748    138.723  202.259    71.949   41.563  12.635  36.805  8.2595  4.758671       15.09515 
1 1 1 -14 -44 40 o 15.119  6.5635  4.5071     44.693   80.974     120.324  -7.7309    48.136   25.445  10.905  14.687  6.5724  10.75775       12.73240 
1 1 1 -14 -44 41 o 45.471  5.1737  273.974    56.066   364.550    157.238  260.781    60.011   42.072  13.551  43.915  5.7716  -1.843304      14.72900 
1 1 1 -14 -44 42 o 21.672  6.9403  66.524     41.290   144.470    104.623  52.144     44.938   29.006  10.923  19.885  7.2166  9.121309       13.09204 
1 1 1 -14 -44 43 o 15.050  6.2322  15.734     37.193   14.960     104.788  15.846     39.783   21.217  9.5783  15.401  6.4170  5.815721       11.52919 
1 1 1 -14 -44 44 o 22.122  7.0749  70.406     42.918   280.598    109.514  32.267     46.649   39.891  10.972  17.741  7.1153  22.14960       13.07692 
1 1 1 -14 -44 45 o 22.081  7.0102  70.394     42.196   186.362    113.852  51.928     45.431   31.408  11.473  19.756  7.2429  11.65259       13.56818 
1 1 1 -14 -44 46 o 11.794  5.3646  -13.3530   33.629   0.0000     0.0000   -13.3530   33.629   ?       ?       11.794  5.3646  0.000000       5.364631 
1 1 1 -14 -44 47 o 17.373  6.7476  34.594     40.757   0.0000     0.0000   34.594     40.757   ?       ?       17.373  6.7476  0.000000       6.747641 
1 1 1 -14 -44 48 o 35.998  7.2899  191.143    61.491   0.0000     0.0000   191.143    61.491   ?       ?       35.998  7.2899  0.000000       7.289904 
1 1 1 -14 -44 49 o 12.148  5.7142  -33.3131   43.200   -7.0836    108.793  -38.2230   47.070   20.112  9.3295  12.509  5.9084  7.602705       11.04303 
1 1 1 -14 -44 50 o 24.403  7.4155  89.867     47.790   -61.0205   101.777  132.545    54.129   17.688  8.4495  29.575  7.5246  -11.88677      11.31432 
1 1 1 -14 -44 51 o 22.201  8.5652  70.864     65.332   -49.0416   127.476  113.578    76.084   19.853  9.4759  26.165  9.4050  -6.312014      13.35092 
1 1 1 -14 -44 52 o 27.973  9.1509  129.997    71.549   169.063    136.562  115.215    84.002   28.977  11.966  26.179  9.8017  2.798050       15.46778 
1 1 1 -14 -44 53 o 26.042  9.0779  110.575    70.444   140.697    136.074  99.547     82.336   27.542  11.694  24.917  9.6148  2.624846       15.13951 
1 1 1 -14 -44 54 o 20.644  7.5993  59.324     50.085   -34.5864   103.128  88.311     57.296   18.725  8.8140  23.973  8.1954  -5.248438      12.03542 
1 1 1 -14 -44 55 o 18.136  7.2600  36.378     48.464   51.838     105.984  32.291     54.496   22.554  9.9408  18.244  7.5483  4.309681       12.48185 
1 1 1 -14 -44 56 o 23.162  7.7028  80.929     50.619   191.850    110.017  51.141     57.012   31.404  11.307  20.072  7.9257  11.33275       13.80830 
1 1 1 -14 -44 57 o 15.860  7.3337  -21.6228   66.445   -146.4388  160.097  4.3504     73.032   19.413  9.5642  17.872  8.0388  1.541744       12.49389 
1 1 1 -14 -44 58 o 30.614  9.7990  165.734    82.316   225.307    200.966  153.725    90.233   29.663  13.340  28.970  10.260  0.6930580      16.82910 
1 1 1 -14 -44 59 o 37.607  9.6079  244.105    87.994   83.881     210.069  278.200    96.905   25.345  12.116  39.661  10.056  -14.31597      15.74514 
1 1 1 -14 -44 60 o 20.242  8.6000  48.776     73.667   -4.9793    196.843  57.531     79.439   22.814  11.105  21.072  8.9407  1.741678       14.25644 
1 1 1 -14 -43 1  o 19.538  8.6902  19.132     82.808   -11.1511   95.185   113.391    167.931  19.012  8.7864  26.595  12.055  -7.582788      14.91720 
1 1 1 -14 -43 2  o 16.763  7.7730  -23.6491   75.412   -11.0538   85.873   -66.1007   157.652  18.290  8.4141  21.106  10.192  -2.816580      13.21623 
1 1 1 -14 -43 3  o 19.426  8.6050  20.509     80.387   -18.9168   92.611   140.981    161.889  18.475  8.5831  27.536  12.204  -9.060493      14.91973 
1 1 1 -14 -43 4  o 25.895  9.9231  112.150    87.282   137.197    101.688  42.059     170.107  27.611  10.676  24.334  11.412  3.276638       15.62728 
1 1 1 -14 -43 5  o 13.187  6.3527  -66.1383   60.369   -95.9477   91.269   -42.9521   80.493   15.687  7.6183  16.427  7.7488  -0.7399597     10.86661 
1 1 1 -14 -43 6  o 18.185  7.7505  25.667     60.177   67.156     88.322   -10.2810   82.213   22.704  9.5186  18.013  8.2669  4.691113       12.60739 
1 1 1 -14 -43 7  o 28.861  8.5893  133.292    64.611   21.718     96.781   223.002    86.781   20.642  9.2723  36.447  9.6580  -15.80449      13.38856 
1 1 1 -14 -43 8  o 16.164  6.9416  13.257     48.933   6.1700     75.076   18.492     64.521   18.308  8.1992  18.125  7.8772  0.1832504      11.36997 
1 1 1 -14 -43 9  o 36.358  7.0039  191.095    59.546   182.197    88.806   198.364    80.263   32.425  10.154  34.854  9.3131  -2.428696      13.77812 
1 1 1 -14 -43 10 o 26.341  7.8249  105.063    53.659   81.372     78.471   125.871    73.539   23.752  9.3240  27.850  9.2854  -4.098173      13.15883 
1 1 1 -14 -43 11 o 20.375  7.6987  53.941     52.072   -67.9487   82.390   135.014    67.194   15.913  7.6017  29.269  8.7704  -13.35550      11.60632 
1 1 1 -14 -43 12 o 33.431  7.2758  162.195    57.344   211.404    90.642   129.357    74.045   35.647  10.048  28.433  9.3095  7.213755       13.69744 
1 1 1 -14 -43 13 o 11.386  5.4491  -48.9231   42.757   36.562     71.918   -95.6557   53.175   20.307  8.5552  11.248  5.5359  9.058096       10.19011 
1 1 1 -14 -43 14 o 19.094  7.4028  42.013     48.988   56.289     75.507   31.635     64.377   22.056  8.9781  19.416  8.1326  2.639467       12.11382 
1 1 1 -14 -43 15 o 27.855  8.0596  115.614    57.580   116.522    85.785   114.869    77.678   27.336  9.9632  27.230  9.5304  0.1058483      13.78744 
1 1 1 -14 -43 16 o 14.622  6.5976  -12.9571   49.642   -65.4917   72.983   32.274     67.720   15.141  7.2110  19.853  8.3297  -4.712420      11.01735 
1 1 1 -14 -43 17 o 40.451  6.6393  225.910    62.904   187.474    94.333   256.686    84.411   33.773  10.447  41.496  8.6633  -7.722618      13.57179 
1 1 1 -14 -43 18 o 11.494  5.5414  -60.9188   46.143   -123.4445  74.224   -21.5323   58.910   13.423  6.5930  15.442  7.0536  -2.019267      9.655095 
1 1 1 -14 -43 19 o 24.444  7.9568  85.365     54.120   73.271     85.569   93.428     69.870   24.185  9.6589  25.440  9.0266  -1.255503      13.22024 
1 1 1 -14 -43 20 f 28.651  7.9211  119.491    56.909   218.849    90.239   53.881     73.330   37.441  9.8138  22.112  8.9023  15.32890       13.24999 
1 1 1 -14 -43 21 o 34.106  7.3923  164.728    59.410   166.615    94.159   163.480    76.577   32.228  10.495  32.739  9.2378  -0.5109100     13.98178 
1 1 1 -14 -43 22 o 26.058  7.8737  97.510     53.990   206.081    84.442   22.435     70.218   36.753  9.4242  19.614  8.3662  17.13914       12.60188 
1 1 1 -14 -43 23 o 19.274  7.4955  39.936     50.343   -25.2412   82.029   79.318     63.763   18.114  8.2926  24.061  8.6140  -5.947430      11.95690 
1 1 1 -14 -43 24 f 12.844  6.0392  -41.2079   48.169   55.147     81.398   -93.1339   59.755   22.857  9.3150  12.472  6.0811  10.38483       11.12423 
1 1 1 -14 -43 25 o 40.474  6.4476  221.874    61.196   221.241    94.044   222.340    80.592   37.695  10.085  38.890  8.7521  -1.194862      13.35294 
1 1 1 -14 -43 26 o 31.314  6.4828  134.322    47.635   128.744    93.949   136.252    55.265   29.133  10.453  31.032  7.4368  -1.898748      12.82871 
1 1 1 -14 -43 27 o 40.044  5.4149  210.669    51.263   110.555    94.110   252.905    61.127   27.665  10.371  43.612  5.9302  -15.94777      11.94716 
1 1 1 -14 -43 28 o 48.416  6.4915  315.864    74.340   307.824    104.684  324.042    105.588  45.018  9.8568  46.383  9.6942  -1.364899      13.82511 
1 1 1 -14 -43 29 o 44.214  8.0450  277.544    83.129   230.754    159.132  295.105    97.488   35.654  13.462  44.543  9.3194  -8.889038      16.37271 
1 1 1 -14 -43 30 o 26.352  9.2957  99.268     73.994   139.007    143.065  84.756     86.456   30.381  12.362  25.421  9.8404  4.959238       15.80007 
1 1 1 -14 -43 31 o 32.291  9.4455  158.325    78.702   140.089    147.297  165.611    93.106   30.483  12.489  32.443  10.425  -1.960157      16.26838 
1 1 1 -14 -43 32 o 51.731  9.1336  393.232    110.453  0.0000     0.0000   393.232    110.453  ?       ?       51.731  9.1336  0.000000       9.133608 
1 1 1 -14 -43 33 o 14.858  6.5461  -3.7489    45.911   -208.1434  131.029  24.857     49.018   17.405  8.5895  17.692  7.2215  -0.2870655     11.22184 
1 1 1 -14 -43 34 o 14.571  7.0316  -91.6828   74.743   -91.6828   74.743   0.0000     0.0000   14.571  7.0316  ?       ?       0.000000       7.031581 
1 1 1 -14 -43 35 o 45.455  9.7923  315.218    104.813  315.218    104.813  0.0000     0.0000   45.455  9.7923  ?       ?       0.000000       9.792254 
1 1 1 -14 -43 36 f 40.751  6.8039  228.280    64.903   305.949    104.082  178.862    83.022   44.614  9.8757  34.015  9.6259  10.59900       13.79082 
1 1 1 -14 -43 37 o 18.322  7.1619  34.838     46.140   148.669    93.977   -1.3172    52.964   30.590  10.495  15.985  7.0373  14.60452       12.63621 
1 1 1 -14 -43 38 o 27.258  6.2936  102.529    40.783   98.915     91.475   103.426    45.562   26.376  10.146  27.097  6.9088  -0.7209206     12.27524 
1 1 1 -14 -43 39 o 21.390  7.4938  61.181     48.032   1.2805     121.348  72.310     52.304   22.386  10.186  22.847  7.8301  -0.4607811     12.84771 
1 1 1 -14 -43 40 o 35.680  7.4983  182.026    62.853   332.498    148.168  149.008    69.407   41.996  13.110  31.350  8.7767  10.64578       15.77653 
1 1 1 -14 -43 41 o 17.072  6.9733  23.865     45.749   -14.8334   135.456  28.848     48.605   22.514  10.432  17.852  7.2265  4.661715       12.69039 
1 1 1 -14 -43 42 o 31.066  7.8787  142.096    59.476   203.402    150.448  130.740    64.751   32.774  12.896  29.366  8.5612  3.407856       15.47914 
1 1 1 -14 -43 43 o 20.372  6.9068  56.283     40.691   103.883    104.709  47.815     44.162   26.548  10.656  19.449  7.1394  7.098133       12.82627 
1 1 1 -14 -43 44 o 12.802  5.6969  -6.5156    35.631   -7.0487    102.414  -6.4422    38.005   20.325  9.2904  13.218  5.8828  7.107046       10.99628 
1 1 1 -14 -43 45 o 34.696  6.5544  168.689    53.156   0.0000     0.0000   168.689    53.156   ?       ?       34.696  6.5544  0.000000       6.554368 
1 1 1 -14 -43 46 o 15.742  6.5311  17.589     40.957   0.0000     0.0000   17.589     40.957   ?       ?       15.742  6.5311  0.000000       6.531067 
1 1 1 -14 -43 47 o 24.827  7.5819  91.486     49.868   0.0000     0.0000   91.486     49.868   ?       ?       24.827  7.5819  0.000000       7.581861 
1 1 1 -14 -43 48 o 33.798  6.5268  161.631    51.586   264.451    113.692  134.975    57.888   37.912  11.419  29.843  7.8785  8.069471       13.87324 
1 1 1 -14 -43 49 o 29.046  8.7029  134.012    66.165   180.387    105.938  104.353    84.721   31.273  11.113  25.632  9.7873  5.641775       14.80839 
1 1 1 -14 -43 50 o 24.052  7.5586  86.490     49.162   28.376     103.165  103.565    55.920   21.479  9.6159  25.956  8.0458  -4.477234      12.53796 
1 1 1 -14 -43 51 o 23.125  7.5104  79.323     48.227   167.073    103.707  55.111     54.476   30.146  10.960  20.455  7.8392  9.691433       13.47465 
1 1 1 -14 -43 52 o 25.601  9.0096  104.361    69.471   49.328     133.661  124.731    81.317   23.701  10.748  27.294  9.7323  -3.592478      14.49947 
1 1 1 -14 -43 53 o 18.057  7.7770  20.876     61.755   14.967     125.401  22.768     70.956   22.043  10.151  18.967  8.2521  3.075569       13.08191 
1 1 1 -14 -43 54 f 23.807  8.8246  85.688     67.753   112.510    133.130  76.313     78.708   26.484  11.412  23.214  9.2661  3.269436       14.70040 
1 1 1 -14 -43 55 o 27.655  7.8381  116.683    55.003   -2.2591    114.505  152.361    62.712   20.858  9.6387  31.428  8.1538  -10.56995      12.62499 
1 1 1 -14 -43 56 o 17.294  7.0863  27.673     47.429   -34.6199   106.066  43.242     53.026   19.083  8.9690  19.225  7.6270  -0.1418800     11.77351 
1 1 1 -14 -43 57 o 14.773  6.5263  0.1293     45.937   -16.3509   105.859  3.9525     50.987   19.694  9.1583  15.702  6.9089  3.991661       11.47208 
1 1 1 -14 -43 58 o 21.031  8.7867  50.640     74.881   -2.2969    191.977  60.139     81.323   23.973  11.492  22.001  9.1715  1.971449       14.70352 
1 1 1 -14 -43 59 o 16.803  7.6784  -10.3256   69.902   -123.9582  191.328  7.1788     75.093   21.317  10.493  18.214  8.1755  3.103266       13.30195 
1 1 1 -14 -43 60 o 29.403  9.8588  154.515    82.900   128.523    209.674  159.331    90.253   26.699  12.568  29.385  10.274  -2.685865      16.23245 
1 1 1 -14 -42 1  o 31.277  10.319  172.648    90.909   128.834    107.676  281.389    169.635  27.253  10.851  34.328  13.634  -7.075275      17.42506 
1 1 1 -14 -42 2  o 16.528  7.7094  -31.6493   75.918   -21.9361   87.812   -60.3972   151.069  18.071  8.3824  21.075  10.127  -3.003677      13.14644 
1 1 1 -14 -42 3  o 23.114  9.3259  74.508     80.662   103.058    94.866   0.0026     153.249  25.458  10.169  22.822  10.743  2.636721       14.79288 
1 1 1 -14 -42 4  o 26.823  10.096  120.520    89.349   83.482     105.665  213.446    167.371  24.449  10.339  31.091  13.072  -6.641867      16.66674 
1 1 1 -14 -42 5  o 53.511  8.6613  439.818    108.615  453.550    132.590  411.802    189.378  51.102  11.018  40.428  14.793  10.67343       18.44497 
1 1 1 -14 -42 6  o 31.177  10.153  167.118    88.115   180.421    107.625  140.071    153.460  31.296  11.192  28.194  12.201  3.101803       16.55680 
1 1 1 -14 -42 7  o 31.871  9.9014  170.427    84.634   140.199    102.651  234.597    149.562  28.517  10.801  33.398  12.939  -4.880884      16.85433 
1 1 1 -14 -42 8  o 45.512  8.4497  311.859    89.876   325.817    107.759  279.958    162.910  44.545  10.191  35.781  13.594  8.764420       16.98937 
1 1 1 -14 -42 9  o 20.970  7.8604  57.478     54.052   91.393     85.950   35.291     69.520   25.062  9.7808  20.042  8.4258  5.019775       12.90959 
1 1 1 -14 -42 10 f 31.774  7.4816  146.887    56.726   135.215    83.127   157.059    77.603   28.983  9.8715  31.413  9.4280  -2.429920      13.65047 
1 1 1 -14 -42 11 o 16.117  6.8477  12.552     46.707   21.741     73.666   6.3740     60.400   19.603  8.4682  17.280  7.5633  2.323570       11.35401 
1 1 1 -14 -42 12 o 19.702  7.4909  46.336     49.493   27.225     79.667   58.348     63.161   20.519  8.8352  21.729  8.4109  -1.209406      12.19852 
1 1 1 -14 -42 13 o 65.220  5.0888  554.030    79.894   715.453    120.981  429.189    106.393  72.039  7.0100  54.405  8.3242  17.63355       10.88269 
1 1 1 -14 -42 14 f 67.568  4.9324  590.933    80.307   545.425    118.203  629.948    109.445  61.822  8.0726  68.010  6.7201  -6.188076      10.50369 
1 1 1 -14 -42 15 o 15.313  6.7562  -3.3161    49.078   -52.6857   74.067   35.326     65.528   15.930  7.4894  20.113  8.2956  -4.183676      11.17623 
1 1 1 -14 -42 16 o 23.582  7.9857  77.051     54.396   30.059     84.453   110.368    71.111   21.352  9.1430  27.346  9.1311  -5.994179      12.92177 
1 1 1 -14 -42 17 o 21.961  7.9294  62.510     54.153   42.541     86.025   75.618     69.696   22.325  9.3785  23.957  8.9364  -1.632433      12.95432 
1 1 1 -14 -42 18 o 32.851  7.2172  150.868    55.956   192.762    87.644   122.042    72.702   35.408  9.8448  28.692  9.2116  6.716341       13.48234 
1 1 1 -14 -42 19 o 41.928  6.2005  235.163    61.177   230.397    95.550   238.475    79.642   38.687  10.078  40.785  8.3293  -2.098824      13.07474 
1 1 1 -14 -42 20 o 25.575  7.7399  91.994     52.141   49.015     84.757   118.163    66.137   22.830  9.4271  28.496  8.7364  -5.665718      12.85282 
1 1 1 -14 -42 21 o 36.350  6.9364  181.099    58.946   209.818    93.202   161.953    76.100   36.993  10.100  33.037  9.1694  3.955902       13.64127 
1 1 1 -14 -42 22 o 23.634  7.7948  76.156     51.875   43.940     84.796   95.424     65.579   22.562  9.3819  26.056  8.7684  -3.493423      12.84158 
1 1 1 -14 -42 23 o 16.633  7.0175  12.409     48.497   -45.9241   76.994   50.775     62.441   16.782  7.8063  21.470  8.3482  -4.687698      11.42940 
1 1 1 -14 -42 24 o 50.840  5.5133  336.368    66.921   305.776    104.138  357.888    87.344   45.383  9.7479  51.282  7.2193  -5.899155      12.13012 
1 1 1 -14 -42 25 o 13.619  5.9640  -3.4684    37.598   -14.9480   76.801   0.1500     43.118   18.297  8.2356  14.838  6.4442  3.458157       10.45714 
1 1 1 -14 -42 26 o 29.800  6.5820  121.014    46.322   179.947    86.632   97.418     54.817   34.566  9.8508  26.346  7.9277  8.220867       12.64464 
1 1 1 -14 -42 27 o 39.442  5.5063  203.402    51.259   252.725    95.559   183.476    60.737   41.221  9.7134  36.591  7.0970  4.629623       12.02983 
1 1 1 -14 -42 28 o 14.637  6.3248  1.4273     41.118   72.937     80.269   -24.0120   47.876   24.532  9.4858  13.878  6.3467  10.65434       11.41317 
1 1 1 -14 -42 29 o 32.570  6.2724  142.624    47.772   160.123    90.436   135.851    56.263   32.491  10.257  31.169  7.5248  1.321934       12.72140 
1 1 1 -14 -42 30 f 39.979  7.2626  219.260    67.855   176.915    95.241   262.913    96.700   33.932  10.497  42.103  9.6694  -8.171482      14.27203 
1 1 1 -14 -42 31 o 17.920  7.8094  3.8757     63.770   194.501    131.860  -54.3202   72.857   34.532  12.385  15.922  7.4672  18.61038       14.46156 
1 1 1 -14 -42 32 o 31.867  9.1240  149.294    74.143   162.045    144.326  144.723    86.418   32.354  12.661  31.056  10.051  1.297478       16.16532 
1 1 1 -14 -42 33 o 27.902  11.831  84.095     138.961  84.095     138.961  0.0000     0.0000   27.902  11.831  ?       ?       0.000000       11.83100 
1 1 1 -14 -42 34 o 28.331  11.939  92.659     140.105  92.659     140.105  0.0000     0.0000   28.331  11.939  ?       ?       0.000000       11.93867 
1 1 1 -14 -42 35 o 27.786  6.9693  106.998    46.905   52.487     94.220   124.959    54.083   23.757  9.8851  29.821  7.4857  -6.063782      12.39962 
1 1 1 -14 -42 36 o 26.531  6.3732  96.164     40.513   62.056     92.499   104.259    45.065   24.240  9.9101  27.471  6.7978  -3.230867      12.01753 
1 1 1 -14 -42 37 o 39.264  4.8657  199.265    45.362   133.882    99.752   216.311    50.933   29.777  10.760  40.716  5.2797  -10.93976      11.98580 
1 1 1 -14 -42 38 o 24.308  6.4068  81.094     38.321   45.579     97.685   87.554     41.661   23.402  9.9210  25.160  6.7035  -1.758068      11.97338 
1 1 1 -14 -42 39 o 29.330  6.0847  116.623    41.883   115.691    102.874  116.808    45.855   28.233  10.784  29.089  6.6426  -0.8565483     12.66561 
1 1 1 -14 -42 40 o 34.969  6.9862  169.660    57.204   121.999    135.727  179.955    63.080   29.190  11.977  35.701  7.5195  -6.510649      14.14203 
1 1 1 -14 -42 41 o 22.438  7.5060  68.839     48.052   50.628     129.696  71.736     51.734   25.235  11.063  22.880  7.7876  2.355150       13.52923 
1 1 1 -14 -42 42 o 50.878  6.1086  346.819    73.903   435.009    159.561  322.733    83.386   49.159  13.129  48.061  7.3870  1.098587       15.06449 
1 1 1 -14 -42 43 o 50.007  6.2462  337.414    74.137   481.944    162.814  299.609    83.270   51.972  12.956  45.898  7.7533  6.074429       15.09897 
1 1 1 -14 -42 44 o 20.355  7.0311  54.990     42.212   0.0000     0.0000   54.990     42.212   ?       ?       20.355  7.0311  0.000000       7.031095 
1 1 1 -14 -42 45 o 20.539  7.0190  56.760     42.028   0.0000     0.0000   56.760     42.028   ?       ?       20.539  7.0190  0.000000       7.019023 
1 1 1 -14 -42 46 o 30.210  7.0584  130.352    50.806   0.0000     0.0000   130.352    50.806   ?       ?       30.210  7.0584  0.000000       7.058406 
1 1 1 -14 -42 47 o 36.144  7.6274  190.010    64.790   401.410    156.977  146.603    71.131   45.251  13.370  30.659  8.9832  14.59203       16.10723 
1 1 1 -14 -42 48 o 38.186  5.4707  195.749    49.240   61.015     90.833   251.821    58.597   23.074  9.6621  43.186  5.7337  -20.11213      11.23528 
1 1 1 -14 -42 49 o 35.493  5.7954  171.878    48.188   233.155    89.829   147.120    57.098   37.892  9.7222  31.592  7.5513  6.300003       12.31028 
1 1 1 -14 -42 50 o 24.999  7.5768  92.714     49.940   72.250     104.631  98.751     56.831   24.112  10.247  25.532  8.1388  -1.420002      13.08577 
1 1 1 -14 -42 51 o 33.681  6.8721  162.647    54.260   251.973    111.354  134.834    62.136   37.167  11.325  29.539  8.3165  7.627724       14.05062 
1 1 1 -14 -42 52 o 21.322  7.5336  63.937     48.619   96.252     101.855  54.402     55.330   25.358  10.387  20.533  7.8930  4.824846       13.04545 
1 1 1 -14 -42 53 o 28.182  8.9843  127.214    69.251   87.935     127.153  143.778    82.572   25.440  11.057  29.260  9.8392  -3.820000      14.80108 
1 1 1 -14 -42 54 o 19.719  8.0869  41.086     61.837   -170.9024  126.757  107.293    70.839   17.132  8.4538  26.056  9.1022  -8.923346      12.42241 
1 1 1 -14 -42 55 o 16.588  7.0440  16.690     49.377   30.823     129.256  14.275     53.429   23.084  10.507  16.842  7.2436  6.241816       12.76183 
1 1 1 -14 -42 56 o 28.508  7.6060  121.491    53.587   135.287    113.749  117.556    60.750   28.026  11.154  27.565  8.3572  0.4612503      13.93783 
1 1 1 -14 -42 57 o 21.661  7.6915  66.313     50.738   143.256    110.630  45.817     57.098   28.550  11.109  19.829  7.8993  8.721895       13.63129 
1 1 1 -14 -42 58 o 22.679  9.1089  68.790     76.573   162.423    196.306  51.987     83.160   29.129  13.134  21.779  9.1889  7.349228       16.02911 
1 1 1 -14 -42 59 o 28.316  9.7845  135.459    81.750   237.177    205.161  116.260    89.132   31.308  13.813  26.485  10.057  4.822584       17.08642 
1 1 1 -14 -42 60 o 27.046  9.6608  123.493    80.160   147.664    187.169  118.063    88.708   27.923  12.684  26.415  10.032  1.508350       16.17188 
1 1 1 -14 -42 61 o 16.862  7.8148  -20.3615   76.086   -130.2580  214.917  -4.6142    81.355   21.962  10.868  18.067  8.2666  3.894503       13.65460 
1 1 1 -14 -41 1  o 38.257  7.5444  215.365    67.544   286.124    99.706   155.354    91.822   41.499  10.016  29.909  10.368  11.58978       14.41584 
1 1 1 -14 -41 2  o 16.376  7.1839  5.9584     54.763   67.833     83.651   -40.4502   72.446   22.927  9.4045  15.867  7.4431  7.059297       11.99354 
1 1 1 -14 -41 3  o 25.738  9.5950  103.779    80.323   69.714     93.057   203.327    159.077  23.476  9.8007  31.353  12.927  -7.876986      16.22261 
1 1 1 -14 -41 4  o 25.172  9.3871  96.499     76.894   176.893    88.073   -161.2610  157.703  32.372  10.108  19.589  9.6193  12.78290       13.95345 
1 1 1 -14 -41 5  o 28.324  9.8474  130.405    82.865   140.874    101.273  109.198    144.142  28.862  10.771  27.244  11.807  1.617887       15.98189 
1 1 1 -14 -41 6  o 27.607  9.7186  120.694    80.840   119.827    98.811   122.450    140.581  27.457  10.549  28.044  11.896  -0.5864983     15.89979 
1 1 1 -14 -41 7  o 15.738  7.2719  -29.3758   65.155   -23.7407   76.200   -44.6972   125.647  17.288  7.9431  20.721  9.7462  -3.433672      12.57305 
1 1 1 -14 -41 8  o 33.731  9.2060  176.486    77.452   239.084    90.323   2.6022     150.540  39.086  9.5948  23.912  11.051  15.17443       14.63470 
1 1 1 -14 -41 9  o 47.450  8.3272  327.848    92.377   355.310    108.561  255.785    175.860  48.114  9.6351  35.548  13.957  12.56551       16.95980 
1 1 1 -14 -41 10 o 28.089  9.5005  119.725    76.989   139.335    86.153   41.983     171.540  29.827  10.050  26.523  12.085  3.303480       15.71772 
1 1 1 -14 -41 11 o 46.814  8.7590  321.135    95.837   305.989    110.659  366.586    191.695  43.959  10.516  41.872  14.941  2.087425       18.27099 
1 1 1 -14 -41 12 o 86.317  6.8466  1008.50    142.219  966.854    174.351  1091.30    245.854  81.634  8.9489  79.941  13.131  1.693115       15.89039 
1 1 1 -14 -41 13 o 45.502  5.8854  274.399    63.456   242.686    92.380   302.729    87.314   40.043  9.6266  46.215  8.0806  -6.171734      12.56857 
1 1 1 -14 -41 14 o 29.624  7.5767  124.206    54.679   218.765    79.551   39.526     75.281   38.795  8.6692  21.439  8.8711  17.35638       12.40368 
1 1 1 -14 -41 15 o 44.091  6.0787  258.046    63.303   246.369    94.254   267.642    85.441   40.504  9.7155  43.301  8.4355  -2.797195      12.86650 
1 1 1 -14 -41 16 o 49.399  5.7518  319.740    67.652   333.883    99.620   307.635    92.163   48.239  8.8366  46.552  8.4715  1.687672       12.24140 
1 1 1 -14 -41 17 o 58.496  5.0769  439.580    71.345   488.407    107.626  401.304    95.291   59.736  7.5972  54.215  7.4399  5.520695       10.63348 
1 1 1 -14 -41 18 f 19.851  7.5275  43.617     49.896   34.125     79.562   49.770     64.058   21.607  9.0449  21.576  8.4373  0.3087997E-01  12.36926 
1 1 1 -14 -41 19 o 27.753  7.6499  107.615    53.172   37.889     83.588   155.004    68.911   22.231  9.2854  32.872  8.5565  -10.64163      12.62668 
1 1 1 -14 -41 20 o 65.432  4.7931  544.722    75.568   520.381    114.563  563.470    100.544  61.657  7.8346  65.382  6.4206  -3.724976      10.12940 
1 1 1 -14 -41 21 o 45.207  5.9158  267.765    63.335   193.499    96.920   323.115    83.671   35.703  10.493  48.853  7.2811  -13.14980      12.77165 
1 1 1 -14 -41 22 o 43.171  6.0152  244.902    61.298   283.650    96.299   218.509    79.479   44.395  9.2404  39.254  8.5837  5.140633       12.61205 
1 1 1 -14 -41 23 o 78.043  4.5820  769.808    86.386   825.348    130.027  725.924    115.581  78.910  6.8593  74.320  6.4740  4.590050       9.432006 
1 1 1 -14 -41 24 o 60.607  4.1836  461.834    61.145   508.450    107.023  439.244    74.502   61.497  7.3158  58.481  5.3082  3.015827       9.038711 
1 1 1 -14 -41 25 o 56.963  4.4229  409.805    60.652   427.283    108.511  401.864    73.145   55.592  8.2986  55.834  5.4693  -0.2419739     9.938794 
1 1 1 -14 -41 26 o 42.267  5.1348  229.853    51.579   245.192    92.456   222.922    62.149   41.115  9.4639  40.959  6.4681  0.1553421      11.46306 
1 1 1 -14 -41 27 o 29.230  6.7644  116.058    47.025   173.802    88.683   93.470     55.466   34.243  10.030  26.035  8.0037  8.207380       12.83163 
1 1 1 -14 -41 28 o 25.575  7.0402  89.319     45.070   33.671     84.359   111.548    53.317   22.153  9.2957  28.369  7.5948  -6.216576      12.00380 
1 1 1 -14 -41 29 o 47.170  4.9095  284.258    55.367   379.304    98.928   240.908    66.811   52.566  8.0093  42.482  6.7038  10.08408       10.44464 
1 1 1 -14 -41 30 o 49.137  4.7799  307.497    56.267   340.100    101.402  292.992    67.635   49.126  8.8316  47.309  6.0290  1.816586       10.69329 
1 1 1 -14 -41 31 o 53.069  5.9768  367.428    75.621   406.958    106.375  327.040    107.524  54.186  8.3596  47.501  9.6580  6.685131       12.77342 
1 1 1 -14 -41 32 o 61.007  12.684  592.813    181.629  592.813    181.629  0.0000     0.0000   61.007  12.684  ?       ?       0.000000       12.68353 
1 1 1 -14 -41 33 o 38.469  13.316  248.096    151.447  248.096    151.447  0.0000     0.0000   38.469  13.316  ?       ?       0.000000       13.31618 
1 1 1 -14 -41 34 o 33.520  9.0514  162.673    75.343   100.641    143.468  186.295    88.535   29.362  12.206  35.395  9.9138  -6.033173      15.72479 
1 1 1 -14 -41 35 o 60.895  6.3738  488.350    92.781   730.840    175.678  394.551    109.262  70.146  10.657  52.848  8.8325  17.29825       13.84142 
1 1 1 -14 -41 36 o 29.057  5.6396  111.776    38.327   50.856     91.290   124.812    42.229   23.695  9.7838  30.638  5.8946  -6.943083      11.42233 
1 1 1 -14 -41 37 o 20.452  6.6647  54.575     37.966   28.148     95.872   59.490     41.346   22.590  9.7090  21.273  6.9561  1.316240       11.94375 
1 1 1 -14 -41 38 o 54.915  4.4740  382.683    59.096   548.661    116.446  325.105    68.585   63.259  7.7484  49.865  5.7754  13.39398       9.664001 
1 1 1 -14 -41 39 o 41.453  5.2247  222.937    51.384   314.697    111.368  198.120    57.917   45.594  10.309  38.418  6.4411  7.176582       12.15543 
1 1 1 -14 -41 40 o 42.571  5.0552  234.361    51.197   251.911    117.397  230.239    56.892   39.454  11.535  41.819  5.7596  -2.365261      12.89294 
1 1 1 -14 -41 41 o 39.689  7.1106  216.427    65.962   304.318    155.282  197.076    72.862   41.143  13.482  37.063  8.3075  4.079151       15.83603 
1 1 1 -14 -41 42 o 42.826  6.5396  247.651    65.800   196.545    152.061  259.425    72.987   33.913  13.072  43.418  7.1789  -9.505020      14.91345 
1 1 1 -14 -41 43 o 77.433  6.7588  808.475    125.713  0.0000     0.0000   808.475    125.713  ?       ?       77.433  6.7588  0.000000       6.758769 
1 1 1 -14 -41 44 o 44.455  5.5932  260.769    58.997   0.0000     0.0000   260.769    58.997   ?       ?       44.455  5.5932  0.000000       5.593244 
1 1 1 -14 -41 45 o 35.596  6.4945  173.512    54.027   0.0000     0.0000   173.512    54.027   ?       ?       35.596  6.4945  0.000000       6.494467 
1 1 1 -14 -41 46 o 48.624  4.8599  306.698    56.570   305.674    110.808  307.059    65.789   43.652  10.574  48.046  5.7581  -4.394020      12.03978 
1 1 1 -14 -41 47 o 33.508  5.8680  151.864    45.970   163.468    85.232   147.104    54.591   32.015  9.9347  32.188  7.1732  -0.1729050     12.25370 
1 1 1 -14 -41 48 o 51.011  4.9046  339.150    59.957   83.720     104.784  463.492    73.109   25.414  10.487  59.519  5.1119  -34.10411      11.66658 
1 1 1 -14 -41 49 o 18.644  6.8769  42.800     41.045   -67.3863   79.609   82.695     47.903   15.809  7.5298  23.961  7.4500  -8.152311      10.59245 
1 1 1 -14 -41 50 o 21.807  7.3562  66.625     46.157   -66.7438   83.280   125.759    55.454   16.186  7.7072  29.164  7.7167  -12.97847      10.90632 
1 1 1 -14 -41 51 o 16.117  6.7947  15.399     45.415   64.828     95.806   1.0736     51.578   23.520  9.8898  15.748  6.9384  7.771568       12.08095 
1 1 1 -14 -41 52 o 18.247  7.1706  36.635     46.457   40.612     97.765   35.475     52.798   22.148  9.6601  18.664  7.5399  3.484522       12.25431 
1 1 1 -14 -41 53 o 16.441  6.8748  18.840     45.891   93.805     94.497   -4.2964    52.498   25.259  10.128  15.456  6.8937  9.803337       12.25166 
1 1 1 -14 -41 54 o 22.283  8.5568  67.278     64.986   122.034    121.028  45.096     77.033   27.410  11.286  21.136  8.8767  6.274401       14.35850 
1 1 1 -14 -41 55 o 15.001  6.8349  -16.3644   54.871   -74.0003   97.541   10.318     66.368   17.245  8.2471  17.975  7.8964  -0.7305336     11.41782 
1 1 1 -14 -41 56 o 8.5870  4.2947  -95.1033   37.403   107.496    74.858   -162.5135  43.180   26.230  9.3394  ?       ?       0.000000       9.339358 
1 1 1 -14 -41 57 o 16.887  6.8970  24.753     44.748   142.525    85.551   -19.6032   52.503   29.319  10.014  14.500  6.6369  14.81901       12.01396 
1 1 1 -14 -41 58 o 23.241  7.8883  78.726     53.078   -88.3113   102.780  139.476    61.983   17.285  8.3178  30.228  8.2296  -12.94248      11.70099 
1 1 1 -14 -41 59 o 16.733  7.6990  -21.4437   71.936   184.237    193.538  -54.4137   77.487   30.244  13.377  15.889  7.5274  14.35522       15.34912 
1 1 1 -14 -41 60 o 25.155  9.7908  97.737     85.949   112.729    224.829  95.171     93.014   27.907  13.098  25.062  10.049  2.844946       16.50825 
1 1 1 -14 -41 61 o 18.682  8.3951  6.5584     79.421   175.518    198.095  -25.8015   86.693   29.059  13.139  17.785  8.2763  11.27418       15.52879 
1 1 1 -14 -40 1  o 23.766  7.8414  82.883     52.496   87.326     70.817   77.463     78.213   24.338  9.0219  23.658  9.3017  0.6802082      12.95825 
1 1 1 -14 -40 2  o 23.403  8.3387  78.926     59.686   181.848    94.208   9.9120     77.144   32.678  10.485  19.030  8.4296  13.64773       13.45363 
1 1 1 -14 -40 3  o 20.072  7.9769  45.313     58.095   92.566     86.434   6.3753     78.461   25.266  9.8227  19.018  8.4588  6.248615       12.96295 
1 1 1 -14 -40 4  f 33.229  7.3988  159.014    58.122   247.431    93.967   104.224    73.970   39.408  9.8532  26.267  9.2911  13.14139       13.54296 
1 1 1 -14 -40 5  o 42.412  6.3582  245.616    63.416   253.868    101.711  240.368    81.112   39.490  10.452  40.192  8.5784  -0.7028236     13.52139 
1 1 1 -14 -40 6  o 23.738  7.8767  79.650     52.942   59.429     84.740   92.597     67.803   23.129  9.4740  25.316  8.9016  -2.186754      12.99982 
1 1 1 -14 -40 7  o 15.114  6.9519  -27.7469   58.591   -26.3730   67.039   -32.1907   120.566  16.294  7.4731  21.174  9.8220  -4.880777      12.34170 
1 1 1 -14 -40 8  o 28.005  9.5661  117.048    78.065   64.366     90.465   270.672    154.484  24.011  9.8066  38.082  13.432  -14.07091      16.63075 
1 1 1 -14 -40 9  o 33.961  9.7764  177.104    84.917   165.998    96.330   215.819    179.853  32.421  10.619  34.588  13.936  -2.166847      17.52045 
1 1 1 -14 -40 10 o 35.566  9.4869  190.485    83.379   174.104    94.845   246.214    174.937  33.370  10.501  36.575  14.041  -3.205132      17.53283 
1 1 1 -14 -40 11 o 64.188  7.3096  561.140    111.814  511.414    133.199  679.794    205.753  59.022  9.6332  62.597  13.908  -3.575539      16.91821 
1 1 1 -14 -40 12 o 17.147  7.6237  -7.8701    63.668   22.621     69.518   -166.5095  158.570  19.841  8.3879  20.772  10.077  -0.9316235     13.11146 
1 1 1 -14 -40 13 o 25.819  9.3011  89.734     74.451   118.360    83.887   -16.4725   161.581  28.683  9.9115  25.179  11.568  3.504318       15.23345 
1 1 1 -14 -40 14 f 25.047  9.3646  79.637     76.623   78.303     86.757   84.368     163.364  25.414  9.8520  29.234  12.620  -3.820194      16.00990 
1 1 1 -14 -40 15 o 18.761  8.3244  -6.2717    75.541   -50.7119   85.565   150.753    160.840  17.716  8.2370  32.473  13.146  -14.75723      15.51300 
1 1 1 -14 -40 16 o 24.266  7.8302  79.509     52.481   134.458    82.918   42.787     67.786   30.439  9.8444  21.402  8.5794  9.037048       13.05822 
1 1 1 -14 -40 17 o 21.797  7.6671  59.593     50.303   84.918     79.509   42.691     64.956   25.788  9.5595  21.182  8.4294  4.606617       12.74514 
1 1 1 -14 -40 18 o 62.917  4.7820  501.948    72.457   472.092    110.468  524.490    95.990   58.873  7.9353  63.320  6.3326  -4.447010      10.15240 
1 1 1 -14 -40 19 o 43.970  5.8510  251.844    60.874   214.555    94.430   278.360    79.629   38.152  10.058  45.324  7.5031  -7.172161      12.54811 
1 1 1 -14 -40 20 o 40.081  6.3422  212.133    59.627   242.171    93.171   191.298    77.599   40.965  9.5498  36.726  8.8190  4.238541       12.99901 
1 1 1 -14 -40 21 o 43.274  5.8573  243.757    59.922   139.279    93.777   315.852    77.900   31.095  10.485  48.838  6.7546  -17.74357      12.47267 
1 1 1 -14 -40 22 o 18.542  7.4034  28.788     50.257   -22.1788   80.088   61.895     64.547   18.554  8.3752  22.997  8.5957  -4.443468      12.00126 
1 1 1 -14 -40 23 o 73.484  5.0862  685.823    90.130   644.206    121.339  737.047    134.617  69.605  7.2928  74.234  7.5800  -4.628830      10.51861 
1 1 1 -14 -40 24 o 28.268  6.6884  107.746    45.159   88.349     87.047   114.889    52.824   26.585  9.9731  28.945  7.4707  -2.359716      12.46094 
1 1 1 -14 -40 25 o 22.071  7.0994  63.628     43.168   -7.7231    82.900   90.172     50.564   19.661  8.7224  25.745  7.5826  -6.083124      11.55751 
1 1 1 -14 -40 26 o 64.694  4.1803  524.150    65.269   478.122    110.748  548.644    80.790   59.504  7.8632  65.696  5.1083  -6.192818      9.376837 
1 1 1 -14 -40 27 o 100.454 3.9817  1255.73    97.050   1231.73    155.723  1270.96    124.098  97.161  6.6452  100.127 5.1252  -2.965736      8.392051 
1 1 1 -14 -40 28 o 62.215  4.3014  485.759    64.535   482.279    110.243  487.573    79.599   59.833  7.7775  61.770  5.3641  -1.936539      9.447932 
1 1 1 -14 -40 29 o 23.938  7.1964  76.856     45.185   137.628    84.465   52.492     53.481   31.020  9.9257  21.300  7.8510  9.720276       12.65531 
1 1 1 -14 -40 30 o 15.124  7.2399  -87.9628   75.577   -87.9628   75.577   0.0000     0.0000   15.124  7.2399  ?       ?       0.000000       7.239916 
1 1 1 -14 -40 31 o 64.640  7.6166  560.248    117.167  560.248    117.167  0.0000     0.0000   64.640  7.6166  ?       ?       0.000000       7.616600 
1 1 1 -14 -40 32 o 36.502  10.074  195.329    92.138   195.329    92.138   0.0000     0.0000   36.502  10.074  ?       ?       0.000000       10.07366 
1 1 1 -14 -40 33 o 43.913  8.1506  265.439    83.647   220.969    142.884  288.626    103.174  37.317  12.933  44.724  9.7800  -7.406849      16.21477 
1 1 1 -14 -40 34 o 22.229  7.8604  61.468     52.939   136.906    125.764  45.223     58.361   31.378  11.938  20.917  8.0883  10.46106       14.42024 
1 1 1 -14 -40 35 o 45.397  7.0462  275.711    75.099   241.341    152.962  286.627    86.204   38.451  13.378  45.670  8.0745  -7.219082      15.62631 
1 1 1 -14 -40 36 o 58.368  6.4596  447.146    89.951   532.879    170.226  413.932    105.952  58.423  12.392  54.922  8.2019  3.500790       14.86073 
1 1 1 -14 -40 37 o 25.562  6.4386  88.133     39.913   255.321    94.373   51.713     44.047   42.053  9.4760  20.479  7.1761  21.57314       11.88659 
1 1 1 -14 -40 38 o 19.976  6.6045  51.021     37.233   -24.1154   100.878  62.871     40.062   20.546  9.3250  21.793  6.8191  -1.246834      11.55228 
1 1 1 -14 -40 39 o 14.046  6.0220  2.3629     36.720   92.837     99.226   -11.9935   39.527   27.188  10.537  13.326  5.9601  13.86157       12.10590 
1 1 1 -14 -40 40 f 28.678  6.3930  111.024    43.350   104.261    109.253  112.288    47.227   28.299  11.032  28.655  6.8794  -0.3564301     13.00110 
1 1 1 -14 -40 41 o 23.192  6.7319  72.919     40.114   113.075    102.566  65.667     43.585   28.635  10.808  22.199  7.1329  6.435955       12.94987 
1 1 1 -14 -40 42 o 22.261  7.8582  63.664     52.887   0.0000     0.0000   63.664     52.887   ?       ?       22.261  7.8582  0.000000       7.858180 
1 1 1 -14 -40 43 f 51.115  6.9682  353.214    84.172   0.0000     0.0000   353.214    84.172   ?       ?       51.115  6.9682  0.000000       6.968239 
1 1 1 -14 -40 44 o 30.943  8.0382  136.980    60.895   216.983    149.238  120.999    66.701   35.464  13.107  28.839  8.7600  6.624781       15.76454 
1 1 1 -14 -40 45 o 27.325  6.8141  103.530    45.024   118.239    88.576   98.406     52.282   28.346  10.152  26.362  7.6951  1.984007       12.73884 
1 1 1 -14 -40 46 o 41.112  5.1002  220.120    49.784   125.711    89.540   262.363    59.895   28.875  10.221  44.592  5.6634  -15.71661      11.68549 
1 1 1 -14 -40 47 o 33.928  5.8696  154.517    46.571   151.146    85.226   155.952    55.607   31.166  9.9701  33.398  7.0817  -2.231953      12.22919 
1 1 1 -14 -40 48 o 19.321  6.8774  47.166     40.590   -78.2601   78.040   93.679     47.524   15.393  7.3655  25.673  7.2890  -10.28026      10.36244 
1 1 1 -14 -40 49 o 37.526  5.6862  188.352    50.153   166.919    92.496   197.277    59.689   32.088  10.399  37.729  6.7689  -5.640762      12.40834 
1 1 1 -14 -40 50 o 30.687  6.4184  130.621    46.255   206.273    85.711   99.535     54.942   36.225  9.5978  26.067  7.9577  10.15816       12.46766 
1 1 1 -14 -40 51 f 16.539  6.7741  21.672     43.319   -52.5503   87.753   45.587     49.811   17.266  8.1282  19.588  7.4986  -2.322094      11.05883 
1 1 1 -14 -40 52 o 14.420  6.3699  -2.9323    43.758   -31.0520   83.990   7.5435     51.265   17.716  8.2107  16.245  7.0409  1.470398       10.81617 
1 1 1 -14 -40 53 o 22.671  7.3819  73.333     46.580   -87.4688   89.925   132.300    54.455   16.176  7.7830  30.068  7.4915  -13.89215      10.80263 
1 1 1 -14 -40 54 o 29.817  8.8520  138.556    68.687   121.967    117.829  147.095    84.535   27.659  11.232  29.940  9.9541  -2.280693      15.00824 
1 1 1 -14 -40 55 o 28.247  9.0856  125.242    70.702   252.348    117.013  52.153     88.731   37.275  11.653  22.419  9.4771  14.85555       15.01995 
1 1 1 -14 -40 56 o 18.291  7.6977  24.803     58.119   -59.5305   96.574   72.688     72.772   17.748  8.4068  23.189  9.0136  -5.440653      12.32559 
1 1 1 -14 -40 57 o 8.8477  4.3895  -79.0847   35.901   -77.5486   74.495   -79.5494   40.973   14.792  7.1091  9.7808  4.8225  5.011238       8.590492 
1 1 1 -14 -40 58 o 15.030  6.5552  2.8238     45.011   -66.7938   92.134   24.649     51.586   17.088  8.1282  17.650  7.3267  -0.5624638     10.94297 
1 1 1 -14 -40 59 o 29.988  10.224  149.785    89.176   56.457     224.043  167.354    97.209   27.373  12.917  31.238  10.675  -3.864475      16.75718 
1 1 1 -14 -40 60 o 27.137  10.063  118.529    88.122   158.674    225.811  111.317    95.710   29.773  13.678  26.577  10.335  3.196604       17.14331 
1 1 1 -14 -40 61 o 38.601  10.184  250.879    96.766   2.5387     241.697  298.284    105.598  26.036  12.584  42.002  10.413  -15.96516      16.33398 
1 1 1 -14 -40 62 o 53.497  8.8598  445.570    110.980  452.544    264.725  444.083    122.241  36.534  15.916  51.736  10.100  -15.20205      18.85065 
1 1 1 -14 -39 1  o 21.039  7.6120  58.663     49.941   48.290     67.678   71.066     74.000   21.058  8.5263  23.273  9.0774  -2.214634      12.45378 
1 1 1 -14 -39 2  o 11.906  5.6017  -36.1341   41.561   -39.4534   53.203   -30.9377   66.569   13.641  6.3922  15.901  7.3484  -2.260194      9.739547 
1 1 1 -14 -39 3  o 24.581  7.4817  86.118     48.619   45.444     71.178   121.694    66.567   21.260  8.6926  28.468  8.7709  -7.208094      12.34872 
1 1 1 -14 -39 4  o 17.948  7.0550  32.270     44.982   56.811     64.979   9.6883     62.331   21.888  8.5148  17.907  7.7625  3.981127       11.52206 
1 1 1 -14 -39 5  o 43.125  5.9441  247.829    60.546   274.795    92.800   227.843    79.892   42.974  9.1787  39.493  8.5823  3.480614       12.56597 
1 1 1 -14 -39 6  o 16.692  6.9699  16.021     47.076   -24.0408   73.879   43.407     61.083   17.356  7.9166  20.574  8.1784  -3.218197      11.38242 
1 1 1 -14 -39 7  o 12.986  5.9685  -24.6851   43.076   -73.6123   63.513   16.991     58.618   13.801  6.6145  18.199  7.6985  -4.398071      10.14975 
1 1 1 -14 -39 8  o 43.758  5.8847  252.368    60.896   301.059    90.580   212.210    82.261   46.100  8.4077  38.100  9.0352  7.999512       12.34194 
1 1 1 -14 -39 9  o 46.717  5.5047  283.811    61.200   277.374    94.937   288.388    80.052   43.690  9.2440  45.893  7.4439  -2.203327      11.86855 
1 1 1 -14 -39 10 f 38.161  6.3915  194.313    57.088   229.800    88.494   169.017    74.714   39.704  9.3418  34.190  8.9144  5.513889       12.91259 
1 1 1 -14 -39 11 o 45.252  8.8584  290.428    93.783   244.719    109.749  414.138    180.553  39.903  10.987  48.595  14.333  -8.692051      18.05953 
1 1 1 -14 -39 12 o 47.234  8.4020  310.397    92.766   353.050    109.634  202.881    174.063  49.641  9.4472  35.685  13.921  13.95559       16.82396 
1 1 1 -14 -39 13 o 20.073  8.4621  21.353     70.432   26.627     78.263   -1.1167    161.542  21.208  8.9292  26.167  11.846  -4.959446      14.83403 
1 1 1 -14 -39 14 o 44.284  9.0072  276.953    93.488   275.525    110.613  280.525    174.913  42.984  10.658  40.609  14.296  2.375305       17.83146 
1 1 1 -14 -39 15 o 46.202  8.9337  299.466    96.529   260.672    117.955  378.124    167.959  41.325  11.395  47.744  13.751  -6.418987      17.85876 
1 1 1 -14 -39 16 o 67.606  6.8589  601.182    110.956  354.067    144.230  959.469    173.669  47.581  12.376  83.702  8.6772  -36.12116      15.11471 
1 1 1 -14 -39 17 o 69.964  6.7548  641.326    113.244  687.352    146.278  572.476    178.908  70.804  8.6974  60.981  12.511  9.822498       15.23692 
1 1 1 -14 -39 18 o 15.286  6.6672  -3.0624    46.575   63.728     73.644   -47.5837   60.126   23.846  9.1204  14.659  6.8454  9.186717       11.40357 
1 1 1 -14 -39 19 o 41.363  6.0423  222.984    58.854   230.660    90.069   217.265    77.748   40.284  9.3884  39.656  8.3444  0.6282806      12.56065 
1 1 1 -14 -39 20 o 9.6735  4.7884  -92.2672   41.836   -95.5491   67.875   -90.2565   53.128   13.821  6.6774  11.732  5.7232  2.089513       8.794525 
1 1 1 -14 -39 21 o 22.086  7.6536  60.753     50.038   111.798    80.927   29.160     63.666   28.633  9.7401  20.116  8.2226  8.517181       12.74679 
1 1 1 -14 -39 22 o 17.494  7.1358  20.122     47.823   5.8148     74.958   29.943     62.105   19.679  8.5215  20.023  8.1456  -0.3436623     11.78847 
1 1 1 -14 -39 23 o 23.535  6.9147  73.695     42.095   56.845     79.198   80.329     49.696   23.732  9.3507  24.542  7.5812  -0.8107319     12.03788 
1 1 1 -14 -39 24 o 36.210  5.6177  169.837    47.757   297.109    87.188   115.284    57.082   46.856  7.9532  28.998  7.8987  17.85798       11.20904 
1 1 1 -14 -39 25 o 55.891  4.3482  391.744    58.503   435.340    100.586  369.457    71.919   57.257  7.4142  53.698  5.6023  3.558788       9.292804 
1 1 1 -14 -39 26 o 23.508  6.9882  73.403     42.786   11.881     83.724   95.150     49.777   21.005  9.0509  26.512  7.4364  -5.507000      11.71400 
1 1 1 -14 -39 27 o 24.906  6.8213  83.102     42.435   86.126     85.056   82.099     48.964   26.508  9.8752  24.774  7.5011  1.733770       12.40104 
1 1 1 -14 -39 28 o 58.748  4.3764  432.749    61.937   422.990    107.738  437.567    75.696   55.931  8.1806  58.597  5.3842  -2.665485      9.793441 
1 1 1 -14 -39 29 o 45.591  9.1369  290.297    97.554   290.297    97.554   0.0000     0.0000   45.591  9.1369  ?       ?       0.000000       9.136869 
1 1 1 -14 -39 30 o 26.566  9.8985  86.679     85.466   86.679     85.466   0.0000     0.0000   26.566  9.8985  ?       ?       0.000000       9.898537 
1 1 1 -14 -39 31 o 42.915  9.5872  261.466    97.313   261.466    97.313   0.0000     0.0000   42.915  9.5872  ?       ?       0.000000       9.587164 
1 1 1 -14 -39 32 o 10.411  5.0668  -68.5103   40.939   90.930     116.999  -90.7549   43.701   28.400  11.310  10.074  4.9695  18.32599       12.35318 
1 1 1 -14 -39 33 o 25.668  5.6762  86.786     34.414   14.738     87.783   99.870     37.408   21.549  9.2766  27.541  5.7820  -5.992039      10.93096 
1 1 1 -14 -39 34 o 26.120  8.1550  92.251     57.332   79.437     133.340  95.157     63.501   28.497  11.800  26.552  8.6177  1.944660       14.61197 
1 1 1 -14 -39 35 o 15.756  6.6785  6.8168     44.256   -21.9339   126.856  10.801     47.223   23.219  10.505  16.544  6.9492  6.675196       12.59577 
1 1 1 -14 -39 36 o 59.185  6.3771  456.089    90.132   514.114    169.888  433.359    106.331  57.803  12.478  56.644  7.9557  1.158894       14.79887 
1 1 1 -14 -39 37 o 32.310  8.0079  144.462    62.464   213.231    135.367  125.858    70.408   37.064  12.597  29.938  8.9793  7.125540       15.46991 
1 1 1 -14 -39 38 o 43.561  6.7762  251.713    69.294   151.257    138.774  285.079    79.978   32.726  12.519  46.045  7.4098  -13.31956      14.54764 
1 1 1 -14 -39 39 o 48.802  4.8296  302.631    56.438   419.437    149.655  283.265    60.937   52.139  12.068  46.912  5.4553  5.227314       13.24382 
1 1 1 -14 -39 40 o 36.280  5.3697  170.502    45.842   220.830    93.011   154.355    52.686   38.890  9.8469  33.946  6.6344  4.944107       11.87337 
1 1 1 -14 -39 41 o 40.003  5.7248  208.568    53.982   0.0000     0.0000   208.568    53.982   ?       ?       40.003  5.7248  0.000000       5.724803 
1 1 1 -14 -39 42 o 26.441  6.9751  95.510     45.396   0.0000     0.0000   95.510     45.396   ?       ?       26.441  6.9751  0.000000       6.975082 
1 1 1 -14 -39 43 o 45.645  6.7416  278.415    72.419   453.788    160.693  233.719    81.124   52.994  12.669  40.688  8.4915  12.30570       15.25141 
1 1 1 -14 -39 44 o 41.496  7.1795  234.362    69.672   182.413    119.244  261.289    85.850   34.043  11.814  42.953  8.5380  -8.910511      14.57634 
1 1 1 -14 -39 45 o 40.052  7.3764  220.711    69.044   175.971    118.854  243.499    84.824   33.366  11.780  41.166  8.7612  -7.799950      14.68087 
1 1 1 -14 -39 46 o 21.264  6.9857  59.890     41.680   125.680    75.634   31.196     49.949   29.242  9.3962  18.516  7.3845  10.72580       11.95076 
1 1 1 -14 -39 47 o 25.005  7.0296  86.842     44.428   107.604    80.562   77.769     53.258   27.360  9.6943  23.797  7.9004  3.562935       12.50582 
1 1 1 -14 -39 48 o 44.272  4.7777  252.666    50.510   366.229    86.537   193.987    62.205   51.729  7.0804  37.428  7.1095  14.30086       10.03375 
1 1 1 -14 -39 49 o 17.679  6.6702  34.688     39.053   82.935     70.090   12.966     47.030   24.610  9.0003  16.363  6.9074  8.246939       11.34533 
1 1 1 -14 -39 50 o 13.873  5.9853  2.3973     36.709   -137.6467  69.688   56.177     43.186   12.488  6.1814  20.628  7.1125  -8.139217      9.423250 
1 1 1 -14 -39 51 o 16.386  6.3905  26.639     36.674   6.0693     72.934   33.600     42.428   18.705  8.2454  17.787  6.8912  0.9179783      10.74599 
1 1 1 -14 -39 52 o 20.958  7.3473  58.741     46.176   25.029     84.102   73.288     55.247   20.746  9.0049  22.947  8.0371  -2.200237      12.06996 
1 1 1 -14 -39 53 o 26.619  7.4354  102.746    49.872   110.991    94.398   99.553     58.739   27.012  10.327  25.927  8.2752  1.084690       13.23369 
1 1 1 -14 -39 54 o 33.087  6.9297  154.955    53.851   226.136    102.437  127.771    63.304   36.540  10.801  29.037  8.4649  7.503071       13.72298 
1 1 1 -14 -39 55 o 29.579  8.8897  135.258    68.960   27.465     117.809  191.441    85.053   22.923  10.268  34.522  9.7338  -11.59886      14.14850 
1 1 1 -14 -39 56 o 15.889  7.0066  0.0154     52.716   15.057     100.470  -5.6989    61.924   21.263  9.5064  16.647  7.4515  4.615524       12.07875 
1 1 1 -14 -39 57 o 18.133  7.1802  33.985     46.915   103.936    91.954   9.3689     54.548   26.340  10.162  16.800  7.2721  9.539705       12.49573 
1 1 1 -14 -39 58 o 33.933  6.9795  162.974    55.548   126.386    107.492  176.305    64.883   28.176  10.954  34.660  7.8920  -6.483410      13.50095 
1 1 1 -14 -39 59 o 30.621  7.6889  137.467    57.046   67.291     109.196  163.809    66.901   24.489  10.439  33.009  8.3476  -8.520185      13.36611 
1 1 1 -14 -39 60 o 22.025  9.2817  48.166     84.685   209.152    222.155  20.795     91.602   31.929  14.216  20.875  9.2191  11.05408       16.94327 
1 1 1 -14 -39 61 o 30.549  14.034  176.715    237.768  176.715    237.768  0.0000     0.0000   30.549  14.034  ?       ?       0.000000       14.03441 
1 1 1 -14 -39 62 o 48.312  9.4736  369.812    107.085  257.767    260.146  392.671    117.502  32.017  14.698  48.833  10.244  -16.81630      17.91553 
1 1 1 -14 -38 1  o 23.705  7.7866  78.849     51.786   48.041     73.588   109.074    72.890   21.708  8.8529  27.116  9.2437  -5.408506      12.79924 
1 1 1 -14 -38 2  o 28.925  6.7235  116.132    46.293   194.633    71.550   59.610     60.712   36.652  8.2450  21.978  8.3108  14.67456       11.70678 
1 1 1 -14 -38 3  o 30.973  6.8019  132.544    49.720   260.283    79.895   51.806     63.518   42.891  7.9703  21.505  8.4038  21.38615       11.58235 
1 1 1 -14 -38 4  o 45.024  5.2004  263.101    55.768   252.360    86.194   270.835    73.140   41.722  8.7916  44.582  6.9913  -2.859428      11.23257 
1 1 1 -14 -38 5  o 9.3607  4.5913  -66.6479   35.592   -33.3965   63.863   -81.6288   42.866   15.714  7.2392  10.172  4.9991  5.542206       8.797523 
1 1 1 -14 -38 6  o 30.811  7.1112  130.820    52.085   242.591    88.705   72.007     64.345   40.865  9.1712  23.722  8.6314  17.14367       12.59417 
1 1 1 -14 -38 7  o 18.447  7.2923  31.046     48.313   32.758     74.904   29.826     63.222   21.204  8.8174  19.880  8.1678  1.323307       12.01919 
1 1 1 -14 -38 8  o 50.744  5.3909  331.742    65.360   361.161    99.721   309.586    86.541   51.045  8.3394  47.585  7.7629  3.459042       11.39337 
1 1 1 -14 -38 9  o 59.029  4.9363  443.153    70.053   449.492    107.652  438.497    92.259   57.468  7.9317  57.615  6.7260  -0.1475449     10.39960 
1 1 1 -14 -38 10 o 33.246  6.8357  148.818    53.301   201.281    79.813   106.582    71.612   37.699  8.8729  27.774  9.1582  9.924187       12.75150 
1 1 1 -14 -38 11 o 24.010  7.4134  77.139     47.527   20.276     71.171   122.904    63.850   20.155  8.5021  29.670  8.4575  -9.514563      11.99228 
1 1 1 -14 -38 12 o 87.061  4.8376  955.997    101.789  991.135    168.577  935.835    127.695  85.690  8.2083  85.084  6.2287  0.6062546      10.30398 
1 1 1 -14 -38 13 o 47.629  5.5674  291.601    63.127   276.844    93.455   303.985    85.611   44.525  8.9606  47.503  7.6905  -2.977600      11.80830 
1 1 1 -14 -38 14 o 20.918  8.7166  26.530     73.416   24.198     84.262   33.883     149.589  21.810  9.2283  27.256  11.917  -5.445862      15.07234 
1 1 1 -14 -38 15 o 99.890  6.3109  1285.91    152.174  1305.14    200.921  1260.05    233.048  98.345  8.5036  94.422  10.341  3.923218       13.38844 
1 1 1 -14 -38 16 o 50.290  7.7759  339.374    91.824   438.467    117.490  183.846    147.191  56.528  8.8567  35.384  13.027  21.14463       15.75274 
1 1 1 -14 -38 17 o 29.556  9.5609  120.562    78.208   61.023     98.148   224.119    129.442  25.446  10.280  38.416  12.287  -12.96995      16.02020 
1 1 1 -14 -38 18 o 50.390  7.9545  341.526    94.030   285.148    120.481  429.378    150.398  43.889  11.259  53.655  11.867  -9.766281      16.35798 
1 1 1 -14 -38 19 o 22.073  9.0606  35.630     77.712   71.176     99.678   -19.4619   124.094  26.279  10.447  23.268  10.471  3.010412       14.79165 
1 1 1 -14 -38 20 o 12.032  5.7064  -49.7277   44.763   54.081     72.600   -113.3949  56.856   23.098  8.9962  11.586  5.7062  11.51286       10.65325 
1 1 1 -14 -38 21 o 20.300  7.4673  45.907     48.347   114.684    78.663   4.1542     61.290   29.035  9.5997  17.998  7.7495  11.03672       12.33733 
1 1 1 -14 -38 22 o 51.672  4.3593  334.568    54.145   248.365    97.745   372.731    65.035   41.861  9.7968  54.297  4.9923  -12.43624      10.99544 
1 1 1 -14 -38 23 o 55.780  4.2678  388.993    57.324   331.398    101.953  415.618    69.319   49.137  8.8780  57.345  5.0328  -8.208069      10.20530 
1 1 1 -14 -38 24 o 58.459  4.2384  426.839    59.711   442.122    103.085  419.122    73.251   57.800  7.5291  57.461  5.3141  0.3387604      9.215537 
1 1 1 -14 -38 25 f 34.154  5.9523  152.005    47.535   99.302     89.008   173.035    56.225   27.955  10.155  36.214  6.6435  -8.258932      12.13483 
1 1 1 -14 -38 26 o 87.696  3.9378  952.718    83.791   938.366    136.886  961.317    105.962  85.185  6.6761  87.400  5.0176  -2.215202      8.351417 
1 1 1 -14 -38 27 o 25.230  7.0661  85.023     44.980   39.712     84.778   102.775    53.064   23.041  9.4614  27.568  7.6587  -4.527060      12.17269 
1 1 1 -14 -38 28 o 54.986  8.1531  406.075    105.481  406.075    105.481  0.0000     0.0000   54.986  8.1531  ?       ?       0.000000       8.153077 
1 1 1 -14 -38 29 o 49.439  8.3748  331.213    96.877   331.213    96.877   0.0000     0.0000   49.439  8.3748  ?       ?       0.000000       8.374842 
1 1 1 -14 -38 30 o 44.405  8.9903  272.651    93.543   272.651    93.543   0.0000     0.0000   44.405  8.9903  ?       ?       0.000000       8.990304 
1 1 1 -14 -38 31 o 18.861  7.0230  37.747     43.008   36.417     82.924   38.236     50.302   22.629  9.3325  19.651  7.5325  2.978571       11.99306 
1 1 1 -14 -38 32 o 23.107  5.9924  70.474     33.881   24.794     81.980   79.883     37.207   21.743  9.1458  24.547  6.2349  -2.804173      11.06881 
1 1 1 -14 -38 33 o 24.746  6.1390  81.109     36.684   75.059     84.808   82.502     40.687   25.683  9.7958  24.883  6.6223  0.7998581      11.82427 
1 1 1 -14 -38 34 o 35.951  5.0990  165.345    43.233   230.419    96.562   149.031    48.349   40.160  9.9585  33.720  6.1353  6.439774       11.69675 
1 1 1 -14 -38 35 o 27.338  7.6311  101.279    52.550   193.921    88.221   50.331     65.424   36.904  9.7180  22.177  8.5670  14.72699       12.95505 
1 1 1 -14 -38 36 o 48.960  6.7516  314.328    78.073   436.312    156.283  273.762    90.125   53.717  12.261  44.614  8.6376  9.103367       14.99769 
1 1 1 -14 -38 37 o 96.149  5.8400  1180.79    135.601  1348.51    223.250  1082.74    170.697  98.974  9.4094  90.238  7.8749  8.735367       12.26992 
1 1 1 -14 -38 38 o 22.325  7.9696  60.271     54.544   145.831    128.271  41.385     60.264   32.492  12.123  20.862  8.1766  11.62990       14.62244 
1 1 1 -14 -38 39 o 56.531  4.3058  400.632    58.617   620.105    116.299  325.891    67.868   68.665  7.0820  50.362  5.6514  18.30279       9.060469 
1 1 1 -14 -38 40 o 76.351  4.9235  736.332    90.726   0.0000     0.0000   736.332    90.726   ?       ?       76.351  4.9235  0.000000       4.923495 
1 1 1 -14 -38 41 o 27.889  6.9942  105.348    47.245   0.0000     0.0000   105.348    47.245   ?       ?       27.889  6.9942  0.000000       6.994167 
1 1 1 -14 -38 42 o 36.126  5.5642  169.531    47.208   223.043    95.132   152.048    54.376   39.105  9.9897  33.611  6.8987  5.494183       12.14028 
1 1 1 -14 -38 43 o 51.463  4.4339  334.141    54.826   315.830    94.827   343.335    67.195   47.716  8.5020  51.682  5.4401  -3.965179      10.09347 
1 1 1 -14 -38 44 o 32.518  7.9725  147.504    62.422   9.7927     112.096  209.400    75.152   23.151  10.213  38.733  8.2491  -15.58251      13.12809 
1 1 1 -14 -38 45 o 24.968  8.1281  84.763     56.474   112.381    103.150  72.940     67.487   28.774  10.844  24.083  8.8279  4.690935       13.98325 
1 1 1 -14 -38 46 o 42.572  7.0263  245.090    70.047   122.722    126.031  299.785    84.259   29.956  11.798  46.713  7.7024  -16.75715      14.08984 
1 1 1 -14 -38 47 o 16.496  6.5347  23.509     38.871   69.429     66.922   0.1288     47.753   23.561  8.7631  15.556  6.7687  8.005900       11.07276 
1 1 1 -14 -38 48 o 43.995  5.0112  249.825    52.540   201.424    89.127   275.601    65.042   36.500  9.8399  45.656  6.0179  -9.156918      11.53420 
1 1 1 -14 -38 49 o 23.884  6.9054  78.703     42.283   141.550    75.453   49.932     51.052   30.806  9.3080  20.500  7.6480  10.30603       12.04705 
1 1 1 -14 -38 50 o 16.519  6.4527  26.135     37.436   -32.9781   71.695   48.294     43.896   16.629  7.6642  19.771  7.1390  -3.142408      10.47406 
1 1 1 -14 -38 51 o 23.699  6.8518  78.119     41.630   28.989     77.791   97.835     49.280   20.749  8.8270  26.253  7.4117  -5.503387      11.52599 
1 1 1 -14 -38 52 o 10.723  5.1884  -59.6433   41.358   -147.0558  77.655   -25.0314   48.865   13.257  6.5554  13.829  6.3566  -0.5722895     9.131207 
1 1 1 -14 -38 53 o 19.291  7.2300  44.487     45.726   -62.0278   84.923   87.977     54.264   16.732  7.9131  24.738  7.9600  -8.005741      11.22401 
1 1 1 -14 -38 54 o 22.468  7.6586  70.030     50.035   -16.6348   89.331   109.647    60.397   19.034  8.6910  27.171  8.3518  -8.136982      12.05346 
1 1 1 -14 -38 55 o 26.610  8.7748  106.135    65.740   173.125    111.988  70.912     81.204   31.752  11.411  23.649  9.4206  8.103144       14.79697 
1 1 1 -14 -38 56 o 20.252  8.1392  43.479     61.181   85.299     105.965  22.566     74.932   25.560  10.546  19.812  8.5495  5.748028       13.57638 
1 1 1 -14 -38 57 o 16.427  7.2339  1.0152     55.997   -34.3391   93.655   20.686     69.859   18.617  8.6432  19.244  8.2798  -0.6265335     11.96917 
1 1 1 -14 -38 58 o 15.267  6.6416  3.0277     45.957   -40.1774   90.209   18.172     53.407   18.073  8.4210  17.423  7.3581  0.6497421      11.18280 
1 1 1 -14 -38 59 o 15.098  6.6852  -3.9353    48.476   41.889     94.026   -20.5249   56.574   22.427  9.6264  15.155  6.9185  7.271991       11.85470 
1 1 1 -14 -38 60 o 47.412  9.8600  351.764    109.732  323.671    248.013  358.603    122.360  36.161  15.579  46.506  11.013  -10.34550      19.07913 
1 1 1 -14 -38 61 f 22.834  9.6615  52.857     92.355   -25.2430   227.474  68.272     101.060  26.055  12.496  24.197  10.165  1.857849       16.10823 
1 1 1 -14 -38 62 o 27.869  10.515  126.106    97.051   275.227    239.744  96.880     106.137  33.638  14.882  25.921  10.608  7.716587       18.27617 
1 1 1 -14 -38 63 o 41.165  10.301  283.941    102.641  109.021    258.616  316.646    111.825  28.576  13.600  43.008  10.746  -14.43213      17.33325 
1 1 1 -14 -37 1  o 29.509  9.4327  129.283    76.298   83.039     218.617  135.697    81.417   30.275  13.735  30.069  9.7579  0.2055569      16.84868 
1 1 1 -14 -37 2  o 50.353  8.0260  353.797    94.767   418.295    234.741  341.238    103.583  44.298  16.425  48.536  9.1307  -4.237770      18.79199 
1 1 1 -14 -37 3  o 33.307  7.8052  155.688    61.977   202.367    215.776  151.491    64.703   35.188  14.821  32.652  8.1831  2.536545       16.93046 
1 1 1 -14 -37 4  o 38.896  6.8870  204.225    62.619   -170.3952  232.305  233.577    65.026   25.519  12.335  41.798  6.6332  -16.27896      14.00525 
1 1 1 -14 -37 5  o 49.980  5.1751  320.400    61.851   351.733    103.793  303.148    77.019   49.972  8.8858  47.665  6.8567  2.306183       11.22367 
1 1 1 -14 -37 6  o 45.792  5.3218  269.657    58.028   281.482    95.296   262.690    73.153   44.545  9.1237  44.290  7.0429  0.2546349      11.52580 
1 1 1 -14 -37 7  o 32.201  6.5983  138.787    49.821   129.558    82.404   144.104    62.547   30.216  9.8174  32.221  8.0292  -2.005190      12.68265 
1 1 1 -14 -37 8  o 34.124  5.6920  151.799    45.469   190.083    67.991   120.824    61.157   37.296  7.7655  29.518  8.2298  7.778740       11.31516 
1 1 1 -14 -37 9  o 35.123  7.2226  166.316    59.498   199.275    71.591   92.717     106.982  38.144  7.9911  28.003  10.917  10.14067       13.52886 
1 1 1 -14 -37 10 o 46.646  5.0099  276.529    55.815   309.672    81.471   247.215    76.621   48.318  7.1663  42.829  7.6539  5.488705       10.48512 
1 1 1 -14 -37 11 o 58.208  4.6906  426.564    65.687   424.380    92.437   428.791    93.360   56.937  6.8271  57.214  6.8618  -0.2775154     9.679552 
1 1 1 -14 -37 12 o 66.414  5.0990  557.645    81.542   527.307    133.749  575.593    102.872  61.913  9.1814  66.700  6.4363  -4.787090      11.21268 
1 1 1 -14 -37 13 o 60.011  4.8748  453.966    70.368   476.475    103.917  434.903    95.631   60.166  7.2653  57.622  6.9824  2.544231       10.07659 
1 1 1 -14 -37 14 o 16.275  6.8528  8.8070     46.100   18.081     72.665   2.5601     59.639   20.347  8.5872  17.680  7.6284  2.666925       11.48619 
1 1 1 -14 -37 15 o 93.298  4.2507  1081.79    96.228   1176.76    143.407  1004.00    129.783  95.862  6.1985  88.614  6.0727  7.248672       8.677537 
1 1 1 -14 -37 16 o 21.665  8.8227  35.278     72.953   -5.3849    93.800   97.535     116.063  21.189  9.3449  29.093  11.363  -7.904427      14.71172 
1 1 1 -14 -37 17 o 32.519  9.4761  147.685    79.345   85.483     100.344  251.464    129.612  27.473  10.611  40.947  12.161  -13.47377      16.13906 
1 1 1 -14 -37 18 o 38.499  9.1791  206.280    84.538   206.495    107.333  205.929    137.199  37.724  11.030  37.320  12.682  0.4040565      16.80745 
1 1 1 -14 -37 19 o 31.527  9.6915  137.863    81.327   154.014    102.952  111.058    132.636  33.125  10.984  30.803  12.112  2.321806       16.35091 
1 1 1 -14 -37 20 o 44.494  11.048  286.740    118.722  286.740    118.722  0.0000     0.0000   44.494  11.048  ?       ?       0.000000       11.04759 
1 1 1 -14 -37 21 o 19.356  7.5736  33.373     51.637   60.177     97.191   22.832     60.952   25.555  10.263  19.463  8.0108  6.091925       13.01915 
1 1 1 -14 -37 22 f 29.665  6.3154  115.873    44.064   121.781    82.685   113.529    52.074   29.981  9.8387  29.073  7.3714  0.9076862      12.29381 
1 1 1 -14 -37 23 o 14.664  6.2192  4.1471     38.412   36.689     74.297   -7.7241    44.874   21.977  8.9211  14.752  6.4864  7.224730       11.02994 
1 1 1 -14 -37 24 o 27.283  6.6831  98.843     43.891   97.102     81.675   99.550     52.045   27.627  9.7640  27.247  7.5902  0.3795319      12.36720 
1 1 1 -14 -37 25 f 48.781  4.5805  298.565    53.582   349.187    92.683   273.152    65.668   51.376  7.6699  46.096  6.0146  5.280235       9.746923 
1 1 1 -14 -37 26 o 48.081  4.7053  290.632    54.191   382.154    93.814   244.802    66.387   53.956  7.3577  43.398  6.5048  10.55740       9.820802 
1 1 1 -14 -37 27 o 23.869  9.3708  55.199     79.266   55.199     79.266   0.0000     0.0000   23.869  9.3708  ?       ?       0.000000       9.370759 
1 1 1 -14 -37 28 o 16.207  7.5589  -56.9350   72.951   -56.9350   72.951   0.0000     0.0000   16.207  7.5589  ?       ?       0.000000       7.558864 
1 1 1 -14 -37 29 f 29.098  7.8296  114.386    56.493   138.306    84.940   95.412     75.652   31.635  9.9343  27.222  9.4122  4.413151       13.68497 
1 1 1 -14 -37 30 o 20.511  7.2256  49.579     44.693   135.807    82.443   13.692     53.187   31.367  9.7770  17.741  7.4082  13.62541       12.26667 
1 1 1 -14 -37 31 o 34.794  5.2605  155.018    43.025   345.709    92.475   102.336    48.606   51.060  7.7038  27.646  7.1814  23.41418       10.53190 
1 1 1 -14 -37 32 o 20.676  6.3176  55.047     34.618   71.239     86.035   51.919     37.815   25.591  9.8411  20.353  6.6523  5.238081       11.87861 
1 1 1 -14 -37 33 o 29.362  5.6309  112.099    38.657   184.705    85.394   93.384     43.354   36.271  9.5657  26.485  6.7319  9.785786       11.69707 
1 1 1 -14 -37 34 f 16.072  6.0899  24.849     32.642   30.478     83.562   23.835     35.459   22.356  9.3063  16.322  6.3065  6.033958       11.24180 
1 1 1 -14 -37 35 o 25.919  6.3146  88.973     39.347   175.601    90.426   68.740     43.701   35.172  10.078  22.961  7.1119  12.21056       12.33467 
1 1 1 -14 -37 36 o 89.851  4.8763  1013.03    105.912  1081.89    144.694  933.561    155.447  91.665  6.5487  84.206  7.6931  7.458763       10.10290 
1 1 1 -14 -37 37 o 16.757  6.9999  11.815     47.512   35.538     130.102  8.1649     51.037   26.356  11.318  16.943  7.1763  9.412230       13.40176 
1 1 1 -14 -37 38 o 53.004  7.8381  375.080    97.766   0.0000     0.0000   375.080    97.766   ?       ?       53.004  7.8381  0.000000       7.838080 
1 1 1 -14 -37 39 o 61.230  7.4049  494.677    107.780  0.0000     0.0000   494.677    107.780  ?       ?       61.230  7.4049  0.000000       7.404918 
1 1 1 -14 -37 40 o 59.387  4.9331  445.294    70.442   0.0000     0.0000   445.294    70.442   ?       ?       59.387  4.9331  0.000000       4.933122 
1 1 1 -14 -37 41 o 50.747  4.5683  324.210    55.648   491.801    104.620  258.086    65.715   61.096  7.1952  44.520  6.2560  16.57560       9.534602 
1 1 1 -14 -37 42 o 32.699  5.7519  139.493    43.969   168.158    77.399   125.834    53.427   34.523  9.1080  30.456  7.3204  4.066412       11.68524 
1 1 1 -14 -37 43 o 36.409  5.2288  170.498    44.867   211.850    76.140   148.500    55.533   39.198  8.2657  33.183  7.1112  6.015076       10.90372 
1 1 1 -14 -37 44 o 33.652  5.5894  147.443    44.038   200.245    75.121   119.795    54.358   37.959  8.3802  29.562  7.5510  8.397043       11.28034 
1 1 1 -14 -37 45 o 49.907  6.2932  325.978    74.512   431.067    132.202  277.052    90.205   54.410  10.393  44.560  8.6549  9.849937       13.52462 
1 1 1 -14 -37 46 o 54.746  6.2915  392.559    82.055   433.440    142.008  372.068    100.538  53.550  11.285  51.973  8.2479  1.577808       13.97789 
1 1 1 -14 -37 47 o 29.334  8.5737  122.010    64.866   42.840     113.311  160.601    79.111   24.829  10.610  33.193  9.3976  -8.363113      14.17357 
1 1 1 -14 -37 48 f 37.412  5.4324  182.437    47.873   128.958    83.502   208.621    58.428   29.762  9.8930  39.615  6.2887  -9.853001      11.72260 
1 1 1 -14 -37 49 o 46.692  4.6897  278.584    52.413   251.717    92.441   291.313    63.629   41.391  9.4167  47.226  5.6658  -5.835896      10.98976 
1 1 1 -14 -37 50 o 17.818  6.6346  35.433     38.382   124.832    72.470   0.5802     45.250   29.191  9.1777  15.179  6.5968  14.01139       11.30261 
1 1 1 -14 -37 51 o 31.243  6.1769  131.951    45.166   266.264    82.258   73.978     54.042   43.330  8.1223  23.350  7.9594  19.98072       11.37205 
1 1 1 -14 -37 52 f 17.050  6.8124  25.617     42.585   163.298    115.083  3.7737     45.838   31.788  11.547  15.451  6.6773  16.33668       13.33847 
1 1 1 -14 -37 53 o 54.745  5.0690  389.034    66.569   361.930    119.037  401.367    80.298   48.004  10.511  54.798  6.1450  -6.794270      12.17558 
1 1 1 -14 -37 54 o 31.286  7.0464  137.754    52.206   234.884    97.846   99.100     61.725   38.380  10.294  26.066  8.4981  12.31366       13.34890 
1 1 1 -14 -37 55 o 12.049  5.6719  -37.6415   42.707   -2.4617    90.488   -47.7234   48.441   19.889  8.9470  12.504  5.9320  7.384325       10.73482 
1 1 1 -14 -37 56 o 23.190  9.2072  65.895     77.329   0.0000     0.0000   65.895     77.329   ?       ?       23.190  9.2072  0.000000       9.207150 
1 1 1 -14 -37 57 o 40.140  8.6563  239.578    81.828   167.242    153.014  268.551    96.839   31.178  12.746  41.500  9.7777  -10.32131      16.06457 
1 1 1 -14 -37 58 o 13.571  6.2819  -29.0697   48.940   -18.9737   108.563  -31.6446   54.827   20.624  9.4779  14.319  6.6354  6.304957       11.56973 
1 1 1 -14 -37 59 o 22.279  8.0571  66.294     55.945   120.208    119.272  51.086     63.346   28.322  11.371  21.184  8.3576  7.138023       14.11186 
1 1 1 -14 -37 60 o 17.016  7.2583  13.273     52.859   -39.2135   115.937  27.047     59.391   20.437  9.5307  18.815  7.8401  1.621914       12.34102 
1 1 1 -14 -37 61 o 25.427  12.220  -60.3793   220.096  -60.3793   220.096  0.0000     0.0000   25.427  12.220  ?       ?       0.000000       12.22015 
1 1 1 -14 -37 62 o 18.802  8.5212  -8.8449    83.865   86.294     229.146  -23.5596   90.118   28.769  13.410  18.698  8.6083  10.07103       15.93554 
1 1 1 -14 -37 63 o 30.680  10.553  159.457    95.050   5.4598     268.949  181.437    101.607  27.373  13.241  32.306  10.914  -4.932991      17.15977 
1 1 1 -14 -36 1  o 32.082  9.0240  149.278    73.194   -50.5872   216.416  175.092    77.777   27.258  12.811  34.689  9.1199  -7.430841      15.72582 
1 1 1 -14 -36 2  o 42.133  8.5815  250.036    84.750   264.796    216.870  247.376    92.071   38.636  15.394  41.350  9.3908  -2.713974      18.03214 
1 1 1 -14 -36 3  o 18.774  7.9599  14.692     62.894   -66.5705   197.165  23.897     66.361   26.288  12.314  19.847  8.2802  6.440756       14.83928 
1 1 1 -14 -36 4  o 62.784  7.3409  525.187    109.720  701.419    269.534  490.183    120.123  60.730  17.399  59.738  8.5295  0.9917259      19.37707 
1 1 1 -14 -36 5  o 31.791  9.3394  143.434    76.795   247.760    230.155  130.363    81.464   39.034  15.752  30.400  9.7499  8.634499       18.52512 
1 1 1 -14 -36 6  o 39.623  6.8100  208.183    63.112   354.947    170.367  184.838    67.947   46.580  13.967  36.799  7.8492  9.781620       16.02138 
1 1 1 -14 -36 7  o 22.438  7.6769  63.219     50.276   144.367    153.865  53.519     53.195   33.130  13.040  21.507  7.8446  11.62321       15.21765 
1 1 1 -14 -36 8  o 24.391  6.3838  79.042     38.221   108.370    57.510   55.840     51.153   28.200  8.0224  21.648  7.7190  6.552013       11.13291 
1 1 1 -14 -36 9  o 42.985  4.8725  234.072    49.922   212.287    75.283   251.171    66.695   39.503  8.1255  43.882  6.4569  -4.379391      10.37863 
1 1 1 -14 -36 10 o 19.508  6.7150  45.814     38.486   -8.1710    55.526   95.728     53.391   16.359  7.2037  26.676  7.7732  -10.31663      10.59793 
1 1 1 -14 -36 11 o 27.775  6.4336  102.257    42.506   123.199    62.062   83.753     58.336   30.033  8.2592  25.309  8.2621  4.723921       11.68227 
1 1 1 -14 -36 12 o 14.919  6.1340  11.335     35.690   -8.1417    51.223   29.712     49.756   15.731  6.9231  18.765  7.4059  -3.034147      10.13784 
1 1 1 -14 -36 13 o 72.847  4.2838  660.950    75.386   634.576    108.705  685.385    104.634  70.238  6.4505  73.331  5.9314  -3.092682      8.763015 
1 1 1 -14 -36 14 o 47.992  5.2326  292.036    59.945   269.087    91.311   309.419    79.469   44.395  8.7876  48.665  6.9253  -4.270222      11.18853 
1 1 1 -14 -36 15 f 13.787  6.1886  -16.3661   43.030   9.4932     71.163   -31.2699   54.025   19.684  8.4097  14.697  6.7290  4.986236       10.77050 
1 1 1 -14 -36 16 o 43.775  5.4407  244.052    56.542   228.934    86.120   255.506    74.962   40.852  8.9369  44.032  7.2700  -3.180832      11.52042 
1 1 1 -14 -36 17 o 16.326  6.8380  9.6260     45.508   73.711     72.101   -32.8104   58.672   25.023  9.1319  15.358  7.0244  9.665085       11.52102 
1 1 1 -14 -36 18 o 61.863  7.0141  496.126    103.424  466.184    134.248  539.842    162.216  58.218  9.8552  61.692  11.251  -3.473633      14.95730 
1 1 1 -14 -36 19 o 109.381 6.2580  1521.41    165.399  1596.88    221.615  1426.53    248.507  110.129 8.3557  102.189 10.157  7.939995       13.15226 
1 1 1 -14 -36 20 o 62.819  5.4663  498.384    82.490   395.207    137.455  556.457    103.124  52.782  11.085  65.862  6.5394  -13.07964      12.87060 
1 1 1 -14 -36 21 o 40.584  6.7714  214.853    64.331   120.299    113.601  259.490    78.053   30.980  11.438  44.355  7.5212  -13.37435      13.68927 
1 1 1 -14 -36 22 o 37.291  7.0971  183.178    61.871   123.985    107.092  212.835    75.802   31.045  11.158  39.838  8.1174  -8.793547      13.79839 
1 1 1 -14 -36 23 o 57.993  4.2081  418.079    58.811   374.281    100.093  441.173    72.680   53.225  7.9977  59.252  5.1052  -6.026886      9.488214 
1 1 1 -14 -36 24 o 25.525  6.7902  85.982     42.788   60.967     77.339   97.017     51.366   24.332  9.3369  27.014  7.5459  -2.682083      12.00492 
1 1 1 -14 -36 25 o 42.930  5.0302  232.666    51.404   201.967    92.999   246.171    61.683   38.072  9.9547  43.846  5.9518  -5.773151      11.59830 
1 1 1 -14 -36 26 o 25.589  9.6517  72.124     81.750   72.124     81.750   0.0000     0.0000   25.589  9.6517  ?       ?       0.000000       9.651650 
1 1 1 -14 -36 27 o 47.789  8.5013  305.996    94.964   305.996    94.964   0.0000     0.0000   47.789  8.5013  ?       ?       0.000000       8.501296 
1 1 1 -14 -36 28 o 46.855  4.8574  276.017    54.421   306.539    94.341   260.794    66.624   47.857  8.4326  45.016  6.2697  2.840328       10.50797 
1 1 1 -14 -36 29 o 47.625  4.7997  284.892    54.708   219.715    97.598   314.755    66.063   39.613  10.118  49.802  5.5620  -10.18892      11.54580 
1 1 1 -14 -36 30 o 63.245  3.9039  495.424    59.616   511.433    110.566  488.863    70.787   62.650  7.4173  62.537  4.6993  0.1132164      8.780689 
1 1 1 -14 -36 31 o 104.192 3.8459  1339.40    97.230   1535.92    158.825  1221.60    122.965  110.150 5.9647  98.732  5.1507  11.41772       7.880875 
1 1 1 -14 -36 32 o 49.750  4.2043  308.474    50.276   310.720    98.514   307.683    58.462   47.924  8.7961  49.439  4.9396  -1.515251      10.08816 
1 1 1 -14 -36 33 o 9.8924  4.6192  -25.1207   27.371   -109.1325  77.486   -13.1433   29.257   14.831  7.1575  11.291  5.0825  3.540263       8.778502 
1 1 1 -14 -36 34 o 46.532  4.4106  271.024    49.203   363.316    99.387   241.059    56.630   52.241  8.1031  43.493  5.4883  8.747959       9.786854 
1 1 1 -14 -36 35 o 19.545  6.5272  46.817     36.336   90.452     86.925   37.578     39.999   27.308  10.018  18.607  6.8000  8.700386       12.10749 
1 1 1 -14 -36 36 o 48.156  4.2831  289.805    49.524   179.370    101.991  323.878    56.651   35.494  10.844  50.801  4.6474  -15.30744      11.79750 
1 1 1 -14 -36 37 o 73.752  7.3215  709.503    129.288  0.0000     0.0000   709.503    129.288  ?       ?       73.752  7.3215  0.000000       7.321491 
1 1 1 -14 -36 38 o 33.778  8.5159  156.553    69.778   0.0000     0.0000   156.553    69.778   ?       ?       33.778  8.5159  0.000000       8.515894 
1 1 1 -14 -36 39 o 23.218  8.2378  65.079     58.191   0.0000     0.0000   65.079     58.191   ?       ?       23.218  8.2378  0.000000       8.237818 
1 1 1 -14 -36 40 o 27.474  8.2106  101.820    58.948   171.775    132.412  84.528     65.832   34.797  12.418  25.668  8.7846  9.129288       15.21092 
1 1 1 -14 -36 41 o 32.530  5.4662  136.671    41.615   21.333     72.777   192.703    50.726   20.610  8.6405  38.720  5.5587  -18.10953      10.27409 
1 1 1 -14 -36 42 o 22.387  6.6825  65.718     39.065   54.079     66.287   71.911     48.354   22.627  8.6532  23.495  7.5092  -0.8678932     11.45712 
1 1 1 -14 -36 43 o 31.267  5.9956  128.202    43.831   97.374     71.066   147.130    55.684   27.086  9.1278  33.104  7.1422  -6.018471      11.59001 
1 1 1 -14 -36 44 o 31.877  5.9322  133.149    44.195   133.853    73.805   132.755    55.182   30.927  9.1746  31.291  7.3866  -0.3633213     11.77862 
1 1 1 -14 -36 45 o 37.810  7.6472  194.098    67.747   115.860    111.783  239.520    85.172   29.846  11.279  41.495  8.7356  -11.64886      14.26642 
1 1 1 -14 -36 46 o 62.608  5.9848  506.278    89.810   364.150    156.208  576.456    109.765  47.684  13.099  66.171  6.9398  -18.48722      14.82370 
1 1 1 -14 -36 47 o 30.815  7.4581  130.302    55.163   238.814    106.233  90.242     64.547   39.933  10.733  25.901  8.6992  14.03124       13.81582 
1 1 1 -14 -36 48 o 47.088  4.4962  280.794    50.747   363.651    88.611   240.355    61.904   52.069  7.2069  42.768  6.1416  9.300278       9.468837 
1 1 1 -14 -36 49 o 37.280  5.2349  180.027    46.048   188.939    84.053   176.205    55.044   35.903  9.5007  36.290  6.4893  -0.3863678     11.50539 
1 1 1 -14 -36 50 o 31.763  5.9178  134.138    43.931   147.356    83.042   129.002    51.768   31.533  9.8097  30.604  7.1075  0.9293880      12.11396 
1 1 1 -14 -36 51 o 70.871  4.2065  633.475    72.012   594.818    126.682  651.930    87.529   65.390  8.1621  71.275  5.0948  -5.885231      9.621675 
1 1 1 -14 -36 52 o 27.912  6.6523  107.132    44.415   196.165    90.544   78.920     50.968   35.787  10.026  23.933  7.7159  11.85423       12.65160 
1 1 1 -14 -36 53 o 31.707  7.3463  141.282    55.412   222.932    111.691  114.623    63.820   36.883  11.361  28.059  8.5786  8.824518       14.23581 
1 1 1 -14 -36 54 o 15.928  6.8313  7.3230     47.284   166.325    101.521  -36.7241   53.434   32.171  10.909  13.921  6.4847  18.25009       12.69123 
1 1 1 -14 -36 55 f 35.836  7.6971  183.205    64.930   84.334     212.884  193.346    68.179   29.379  13.416  36.704  7.8901  -7.325476      15.56375 
1 1 1 -14 -36 56 o 33.441  10.185  177.986    90.082   0.0000     0.0000   177.986    90.082   ?       ?       33.441  10.185  0.000000       10.18522 
1 1 1 -14 -36 57 o 39.130  8.8066  227.985    81.597   312.751    152.213  193.803    96.659   40.677  13.349  34.557  10.556  6.120495       17.01848 
1 1 1 -14 -36 58 o 20.227  7.7810  47.372     53.795   -150.6495  123.631  93.621     59.748   17.906  8.7342  25.460  8.3638  -7.553415      12.09299 
1 1 1 -14 -36 59 o 13.073  6.0989  -34.5419   47.552   55.031     108.487  -55.8432   52.904   24.274  10.378  12.864  6.1303  11.40996       12.05303 
1 1 1 -14 -36 60 o 23.055  8.0222  72.909     55.000   179.243    119.500  44.330     61.952   32.549  11.775  20.561  8.2161  11.98825       14.35814 
1 1 1 -14 -36 61 o 18.743  8.6203  -26.9520   90.050   -62.7562   229.322  -20.4245   97.915   26.039  12.503  19.751  9.0487  6.288332       15.43422 
1 1 1 -14 -36 62 o 16.523  7.8992  -80.4076   89.311   149.381    250.947  -113.7342  95.568   31.239  14.376  16.140  7.8285  15.09940       16.36930 
1 1 1 -14 -36 63 o 22.798  9.8044  46.192     97.867   283.700    265.090  8.7124     105.306  34.356  15.395  21.374  9.6301  12.98124       18.15890 
1 1 1 -14 -35 1  o 30.635  6.9525  127.150    50.497   203.353    68.113   34.154     75.245   38.648  7.5341  21.517  8.8834  17.13078       11.64806 
1 1 1 -14 -35 2  o 69.624  5.3440  617.546    89.591   735.435    129.053  507.881    124.471  74.601  7.2198  60.810  8.6824  13.79136       11.29206 
1 1 1 -14 -35 3  o 42.611  8.4517  249.997    84.298   409.606    211.087  219.713    91.948   48.291  15.714  39.181  9.7188  9.110352       18.47654 
1 1 1 -14 -35 4  o 44.953  8.9478  280.082    94.165   0.0000     0.0000   280.082    94.165   ?       ?       44.953  8.9478  0.000000       8.947757 
1 1 1 -14 -35 5  o 41.265  8.3163  232.457    80.390   308.342    192.872  216.502    88.438   43.261  15.024  39.228  9.4119  4.033775       17.72898 
1 1 1 -14 -35 6  o 76.985  6.2731  761.003    116.160  904.747    220.971  706.112    136.549  78.785  11.933  73.043  7.8264  5.742287       14.27039 
1 1 1 -14 -35 7  o 59.071  6.5173  451.137    91.859   672.027    186.420  380.306    105.564  68.109  11.702  53.082  8.4815  15.02707       14.45250 
1 1 1 -14 -35 8  f 52.946  6.7019  364.103    84.170   368.890    176.251  362.689    95.800   48.284  14.139  52.259  7.7934  -3.975487      16.14421 
1 1 1 -14 -35 9  o 33.753  7.2070  151.953    57.229   237.495    155.043  138.460    61.578   39.677  13.482  31.946  7.9701  7.730730       15.66142 
1 1 1 -14 -35 10 o 15.926  6.3271  19.017     36.539   12.281     51.806   25.686     51.544   17.448  7.3007  18.619  7.4751  -1.171413      10.44882 
1 1 1 -14 -35 11 o 36.312  5.3714  168.672    45.899   163.736    67.135   173.004    62.894   34.765  8.1077  36.012  7.4437  -1.247608      11.00651 
1 1 1 -14 -35 12 o 36.983  5.2855  174.468    46.080   159.422    68.047   187.211    62.625   34.264  8.2775  37.650  7.1159  -3.386547      10.91576 
1 1 1 -14 -35 13 o 70.553  4.1683  618.007    71.040   633.607    104.877  604.780    96.568   70.489  6.1947  69.053  5.8177  1.435867       8.498223 
1 1 1 -14 -35 14 o 20.345  6.8420  50.475     39.928   42.432     58.881   57.322     54.327   21.070  8.1307  22.220  7.9514  -1.149067      11.37250 
1 1 1 -14 -35 15 o 36.356  5.7492  169.760    49.029   166.886    69.799   172.560    68.885   35.134  8.3167  35.806  8.1161  -0.6721649     11.62061 
1 1 1 -14 -35 16 o 35.182  6.3787  160.958    52.447   155.639    82.000   164.639    68.228   33.654  9.5814  34.962  8.1869  -1.307785      12.60273 
1 1 1 -14 -35 17 f 23.875  7.4922  73.325     48.322   41.637     75.596   95.216     62.834   22.656  9.0678  26.983  8.5532  -4.327707      12.46528 
1 1 1 -14 -35 18 o 13.990  6.3649  -25.5469   47.368   -23.4299   70.004   -27.3348   64.331   17.608  7.8992  16.587  7.4951  1.020502       10.88913 
1 1 1 -14 -35 19 o 37.079  5.4049  174.987    47.197   187.987    82.854   168.742    57.425   37.099  9.2391  35.925  6.8375  1.173931       11.49403 
1 1 1 -14 -35 20 o 90.148  6.8010  1036.59    147.667  0.0000     0.0000   1036.59    147.667  ?       ?       90.148  6.8010  0.000000       6.800988 
1 1 1 -14 -35 21 o 94.308  5.2789  1111.93    120.312  1035.69    191.264  1161.85    154.767  88.545  9.0287  95.545  6.7186  -7.000275      11.25419 
1 1 1 -14 -35 22 o 100.856 5.2568  1270.63    128.199  1335.26    200.983  1226.30    166.459  101.318 8.2470  97.963  7.0501  3.354530       10.84969 
1 1 1 -14 -35 23 o 22.554  7.9748  59.274     54.490   -7.2118    97.592   89.390     65.682   21.846  9.5867  26.505  8.7724  -4.658485      12.99454 
1 1 1 -14 -35 24 o 32.926  7.9031  144.611    62.338   108.440    114.670  159.785    74.271   30.472  11.444  34.371  8.8519  -3.899403      14.46766 
1 1 1 -14 -35 25 o 30.578  9.7172  124.186    81.061   124.186    81.061   0.0000     0.0000   30.578  9.7172  ?       ?       0.000000       9.717243 
1 1 1 -14 -35 26 o 12.081  5.9861  -147.8391  65.960   -147.8391  65.960   0.0000     0.0000   12.081  5.9861  ?       ?       0.000000       5.986082 
1 1 1 -14 -35 27 o 101.870 3.8970  1277.70    96.327   1336.08    152.208  1238.69    124.411  102.910 6.1232  99.631  5.1640  3.278931       8.010056 
1 1 1 -14 -35 28 o 91.125  3.8441  1022.10    84.996   1046.05    139.211  1007.86    107.322  90.869  6.3539  89.945  4.9364  0.9238358      8.046098 
1 1 1 -14 -35 29 o 83.554  3.8027  859.187    77.094   915.517    132.701  830.488    94.718   84.886  6.4920  81.672  4.8008  3.214249       8.074255 
1 1 1 -14 -35 30 o 26.773  5.6703  92.936     35.689   53.732     81.371   102.274    39.712   24.161  9.4915  28.028  6.0192  -3.866179      11.23917 
1 1 1 -14 -35 31 o 11.287  5.0435  -10.8373   28.238   -21.9715   76.548   -9.0836    30.380   18.559  8.2978  11.925  5.2857  6.634480       9.838338 
1 1 1 -14 -35 32 o 25.871  6.1902  87.654     38.338   128.502    85.887   77.490     42.843   30.981  10.019  24.329  6.9254  6.652248       12.17962 
1 1 1 -14 -35 33 o 33.255  5.2492  141.145    40.950   147.954    92.660   139.493    45.650   32.891  10.383  32.840  5.9479  0.5142975E-01  11.96557 
1 1 1 -14 -35 34 o 34.516  4.9628  151.173    40.368   92.954     94.113   164.299    44.688   28.058  10.401  35.910  5.2869  -7.852337      11.66714 
1 1 1 -14 -35 35 o 28.458  5.9593  105.604    39.831   94.267     93.747   108.102    44.000   28.110  10.388  28.662  6.4789  -0.5522213     12.24294 
1 1 1 -14 -35 36 o 68.740  4.7729  590.677    79.114   0.0000     0.0000   590.677    79.114   ?       ?       68.740  4.7729  0.000000       4.772927 
1 1 1 -14 -35 37 o 27.194  6.4200  97.505     41.683   0.0000     0.0000   97.505     41.683   ?       ?       27.194  6.4200  0.000000       6.419997 
1 1 1 -14 -35 38 o 17.735  7.2881  17.537     50.352   0.0000     0.0000   17.537     50.352   ?       ?       17.735  7.2881  0.000000       7.288103 
1 1 1 -14 -35 39 o 20.196  7.6449  41.430     51.406   51.329     133.314  39.701     55.715   27.634  11.645  20.446  7.9037  7.187639       14.07419 
1 1 1 -14 -35 40 o 17.558  6.9828  23.805     44.549   48.824     81.598   13.181     53.173   23.579  9.4268  17.713  7.4027  5.866425       11.98604 
1 1 1 -14 -35 41 o 52.139  4.6049  340.901    57.659   416.019    121.367  319.004    65.525   55.067  9.4221  50.087  5.4810  4.979443       10.90033 
1 1 1 -14 -35 42 f 52.308  4.2924  341.818    53.998   404.531    89.240   305.594    67.824   55.833  6.7224  48.841  5.8388  6.991863       8.904050 
1 1 1 -14 -35 43 o 72.908  4.0474  660.554    71.319   511.449    115.377  752.758    90.729   62.123  7.8280  77.451  4.8524  -15.32755      9.209942 
1 1 1 -14 -35 44 o 37.413  5.3248  179.361    46.974   76.146     79.245   235.274    58.325   25.501  9.5257  42.757  5.7692  -17.25614      11.13650 
1 1 1 -14 -35 45 o 38.670  5.2540  191.399    48.021   203.287    80.307   184.782    59.913   38.257  8.8304  37.330  6.8675  0.9261627      11.18657 
1 1 1 -14 -35 46 f 44.770  6.3664  261.623    67.210   197.948    128.620  285.541    78.829   36.333  12.280  46.347  7.2470  -10.01432      14.25861 
1 1 1 -14 -35 47 o 62.359  5.7368  498.982    85.829   428.525    157.337  528.831    102.408  52.696  12.495  63.569  6.7422  -10.87288      14.19794 
1 1 1 -14 -35 48 o 31.103  7.9557  133.947    60.282   184.704    119.057  116.449    69.905   34.981  11.814  28.878  9.0031  6.103649       14.85381 
1 1 1 -14 -35 49 o 47.982  4.7157  292.340    54.193   384.987    99.491   253.255    64.621   53.138  7.9616  43.906  6.2415  9.232342       10.11643 
1 1 1 -14 -35 50 o 47.385  4.8040  286.230    54.471   426.183    101.218  229.176    64.627   56.043  7.6427  41.446  6.6514  14.59714       10.13172 
1 1 1 -14 -35 51 o 64.800  4.3295  529.683    67.682   465.295    120.304  559.500    81.867   57.346  8.9373  66.095  5.1453  -8.748947      10.31261 
1 1 1 -14 -35 52 o 44.857  4.9187  258.537    52.658   324.600    95.688   229.840    63.067   47.891  8.5481  41.441  6.4846  6.450329       10.72943 
1 1 1 -14 -35 53 o 48.105  4.8910  297.478    56.295   384.694    106.703  263.838    66.268   51.831  8.7991  44.464  6.3202  7.366615       10.83369 
1 1 1 -14 -35 54 o 40.313  6.3969  218.845    60.483   275.049    120.567  199.944    69.916   40.931  11.606  37.542  7.9242  3.388821       14.05323 
1 1 1 -14 -35 55 o 19.169  7.6981  34.362     54.681   66.045     204.934  31.934     56.738   28.978  13.205  19.145  7.7868  9.833389       15.33025 
1 1 1 -14 -35 56 o 18.920  7.3079  38.719     47.603   98.000     103.876  22.959     53.558   26.876  10.671  18.008  7.4695  8.868635       13.02552 
1 1 1 -14 -35 57 o 20.242  8.2356  38.500     63.491   -70.8905   128.755  73.645     72.981   20.585  9.7379  23.844  9.0889  -3.258253      13.32043 
1 1 1 -14 -35 58 o 18.517  7.8549  19.297     61.296   -119.9656  127.154  61.456     69.962   19.054  9.1890  22.628  8.8262  -3.574461      12.74127 
1 1 1 -14 -35 59 o 15.127  6.7049  -5.8673    48.882   -36.3713   106.956  2.1864     54.957   20.010  9.2709  16.535  7.2265  3.475050       11.75467 
1 1 1 -14 -35 60 o 35.054  7.3202  172.601    60.253   175.599    123.855  171.671    68.963   32.453  11.950  34.271  8.3663  -1.817841      14.58737 
1 1 1 -14 -35 61 o 20.569  9.0578  12.214     87.796   181.135    251.779  -11.1694   93.676   32.968  14.869  19.899  9.0132  13.06893       17.38723 
1 1 1 -14 -35 62 o 22.465  9.5007  43.905     89.240   -178.0266  261.333  73.200     94.947   25.317  12.422  24.689  10.061  0.6284695      15.98549 
1 1 1 -14 -35 63 o 28.316  10.768  124.382    102.282  136.353    271.104  122.395    110.444  31.153  14.543  28.245  11.069  2.908009       18.27684 
1 1 1 -14 -35 64 o 21.977  9.6249  31.779     97.947   170.732    271.080  10.915     105.043  31.245  14.572  21.420  9.6375  9.824682       17.47060 
1 1 1 -14 -34 1  o 76.005  4.2632  721.364    78.304   804.339    120.664  661.001    102.918  78.937  6.3537  71.778  5.9633  7.159454       8.713771 
1 1 1 -14 -34 2  o 17.849  6.8661  30.143     41.888   83.451     72.008   2.8774     51.498   25.754  9.1609  16.565  7.1176  9.188923       11.60098 
1 1 1 -14 -34 3  o 18.030  6.9004  31.228     42.173   63.006     80.003   19.000     49.628   24.460  9.4667  17.704  7.2508  6.756699       11.92439 
1 1 1 -14 -34 4  o 43.519  6.2561  245.392    64.163   379.700    93.336   125.054    88.349   53.720  7.3537  30.348  10.178  23.37131       12.55632 
1 1 1 -14 -34 5  o 66.121  5.2478  551.661    83.501   521.218    117.082  583.173    119.121  62.803  7.8551  66.710  7.4886  -3.907879      10.85274 
1 1 1 -14 -34 6  o 45.411  7.2439  271.350    77.136   245.016    169.081  278.272    86.682   40.241  14.062  45.557  8.1405  -5.316303      16.24838 
1 1 1 -14 -34 7  o 65.723  6.2390  552.523    98.301   631.321    193.951  525.284    114.033  65.534  12.655  63.316  7.5728  2.218979       14.74807 
1 1 1 -14 -34 8  o 18.975  7.8674  18.445     59.380   223.327    143.794  -23.6757   65.199   38.979  12.983  16.855  7.5873  22.12395       15.03788 
1 1 1 -14 -34 9  o 22.177  8.4240  50.593     62.556   287.540    141.072  -7.4013    69.793   44.034  12.578  18.472  8.1065  25.56154       14.96408 
1 1 1 -14 -34 10 o 59.037  7.7616  457.168    108.489  0.0000     0.0000   457.168    108.489  ?       ?       59.037  7.7616  0.000000       7.761610 
1 1 1 -14 -34 11 o 52.918  6.7619  361.360    84.839   362.809    161.511  360.808    99.702   49.273  13.230  52.210  8.1353  -2.936771      15.53130 
1 1 1 -14 -34 12 f 39.670  5.1433  199.206    48.342   223.044    71.701   179.339    65.457   41.156  7.4545  36.761  7.5899  4.395123       10.63841 
1 1 1 -14 -34 13 o 41.143  4.9378  213.243    48.309   213.465    71.324   213.054    65.664   40.219  7.5868  40.431  6.9435  -0.2122841     10.28458 
1 1 1 -14 -34 14 o 42.119  4.8837  223.042    48.985   189.586    72.228   251.535    66.657   37.675  8.1389  44.245  6.3945  -6.569344      10.35046 
1 1 1 -14 -34 15 o 19.599  6.7699  44.949     39.134   34.131     56.118   55.189     54.601   20.095  7.8860  22.111  7.9653  -2.016485      11.20869 
1 1 1 -14 -34 16 o 15.559  6.3041  14.290     37.026   22.947     53.258   6.1924     51.511   18.727  7.5701  17.028  7.2107  1.698298       10.45472 
1 1 1 -14 -34 17 o 25.634  6.8893  86.052     43.771   54.608     61.379   118.589    62.437   22.641  8.3979  29.853  8.3126  -7.211866      11.81628 
1 1 1 -14 -34 18 o 41.845  4.8133  219.508    47.981   127.301    85.686   261.628    57.911   31.079  10.003  45.572  5.3384  -14.49293      11.33813 
1 1 1 -14 -34 19 o 38.259  5.1830  184.835    46.877   249.155    83.110   154.826    56.768   43.450  8.1833  34.415  7.0357  9.035873       10.79202 
1 1 1 -14 -34 20 o 83.696  3.7989  860.497    77.149   854.834    124.383  864.037    98.353   82.333  6.2735  83.400  4.8815  -1.067215      7.948932 
1 1 1 -14 -34 21 o 17.023  7.2139  5.4767     51.616   88.654     97.624   -26.7980   60.811   28.266  10.570  16.178  7.3009  12.08756       12.84623 
1 1 1 -14 -34 22 o 12.473  5.8886  -50.3883   46.667   -137.1370  93.440   -21.5593   53.866   16.190  7.8251  15.409  6.9199  0.7813578      10.44588 
1 1 1 -14 -34 23 o 38.472  7.1255  192.468    64.066   181.927    110.765  197.767    78.536   36.512  11.325  38.506  8.6205  -1.994434      14.23241 
1 1 1 -14 -34 24 o 21.775  9.5058  -5.5874    94.850   -5.5874    94.850   0.0000     0.0000   21.775  9.5058  ?       ?       0.000000       9.505790 
1 1 1 -14 -34 25 o 40.701  11.492  230.508    118.469  230.508    118.469  0.0000     0.0000   40.701  11.492  ?       ?       0.000000       11.49201 
1 1 1 -14 -34 26 o 17.105  6.7624  21.920     41.551   1.3451     77.951   30.087     49.110   20.243  8.7279  18.954  7.3942  1.289858       11.43903 
1 1 1 -14 -34 27 o 17.847  6.4056  34.538     35.281   20.812     77.457   38.132     39.631   21.479  8.9520  18.790  6.7835  2.689009       11.23186 
1 1 1 -14 -34 28 f 85.656  3.7552  900.976    78.046   986.989    132.186  854.945    96.701   88.546  6.1915  82.984  4.8233  5.562134       7.848487 
1 1 1 -14 -34 29 o 24.739  6.2235  79.679     37.325   177.369    84.610   56.075     41.591   36.166  9.5139  21.342  6.9766  14.82430       11.79775 
1 1 1 -14 -34 30 o 42.000  4.4505  220.097    44.665   170.871    93.301   234.732    50.872   35.388  10.265  43.257  4.9353  -7.868916      11.39006 
1 1 1 -14 -34 31 o 33.059  5.0890  138.630    39.512   165.109    83.994   131.105    44.775   34.856  9.6176  31.874  6.0098  2.981642       11.34091 
1 1 1 -14 -34 32 o 20.582  6.2460  53.790     33.922   14.541     81.987   61.896     37.260   21.479  9.0964  21.963  6.5196  -0.4834690     11.19153 
1 1 1 -14 -34 33 o 13.992  5.8184  6.9215     32.614   40.269     81.304   0.5265     35.604   23.182  9.3595  13.895  5.9428  9.287257       11.08683 
1 1 1 -14 -34 34 o 36.489  4.8080  167.834    41.532   128.769    92.670   177.653    46.459   31.249  10.424  37.425  5.2615  -6.176794      11.67624 
1 1 1 -14 -34 35 o 42.485  5.3447  228.489    53.876   0.0000     0.0000   228.489    53.876   ?       ?       42.485  5.3447  0.000000       5.344676 
1 1 1 -14 -34 36 o 40.551  5.3909  208.746    51.728   0.0000     0.0000   208.746    51.728   ?       ?       40.551  5.3909  0.000000       5.390909 
1 1 1 -14 -34 37 o 50.722  5.0443  323.470    61.258   0.0000     0.0000   323.470    61.258   ?       ?       50.722  5.0443  0.000000       5.044305 
1 1 1 -14 -34 38 o 57.797  4.6027  417.082    64.013   499.185    155.495  400.329    70.241   59.572  11.168  56.401  5.1909  3.171192       12.31523 
1 1 1 -14 -34 39 o 11.346  5.3398  -38.6091   37.826   23.944     72.399   -62.0947   44.362   20.931  8.6834  11.411  5.4846  9.519873       10.27048 
1 1 1 -14 -34 40 o 11.771  5.5127  -37.0007   39.474   69.470     75.029   -77.7514   46.418   24.869  9.2729  11.116  5.4063  13.75319       10.73381 
1 1 1 -14 -34 41 o 67.956  5.5827  584.030    91.240   675.562    146.257  525.714    116.741  71.207  8.6422  63.271  7.7673  7.935528       11.61972 
1 1 1 -14 -34 42 o 52.095  4.2818  338.520    53.645   329.266    89.365   343.734    67.075   49.957  7.6131  52.091  5.3845  -2.134556      9.324786 
1 1 1 -14 -34 43 o 65.877  4.0768  539.053    64.844   458.080    105.626  588.026    82.146   59.064  7.5426  68.430  4.9816  -9.366413      9.039144 
1 1 1 -14 -34 44 o 37.252  5.3418  177.475    46.902   223.483    82.287   155.334    57.082   40.438  8.6482  34.166  7.1167  6.272701       11.19992 
1 1 1 -14 -34 45 o 15.198  6.1921  13.518     35.957   51.106     72.615   1.3071     41.387   22.943  8.9800  14.895  6.3898  8.047866       11.02135 
1 1 1 -14 -34 46 o 12.452  5.6910  -22.5682   38.417   -83.6830   69.546   4.2691     46.086   14.564  6.9648  15.887  6.7772  -1.322873      9.717941 
1 1 1 -14 -34 47 o 63.169  5.7571  510.264    87.272   402.984    159.699  555.943    104.209  51.078  12.886  65.406  6.6592  -14.32746      14.50519 
1 1 1 -14 -34 48 o 10.245  4.9654  -60.3877   38.260   -236.9089  93.703   -25.0699   41.914   13.538  6.7749  12.917  5.9187  0.6210718      8.996103 
1 1 1 -14 -34 49 o 19.486  6.7513  46.133     38.934   142.697    76.668   12.577     45.195   31.693  9.3377  16.404  6.8376  15.28895       11.57344 
1 1 1 -14 -34 50 o 34.179  5.8543  153.272    46.804   154.690    90.097   152.747    54.774   32.556  10.233  33.645  6.9399  -1.089008      12.36409 
1 1 1 -14 -34 51 f 63.292  4.2941  503.898    65.556   523.498    118.045  495.158    78.828   61.903  8.0496  62.185  5.2741  -0.2826157     9.623526 
1 1 1 -14 -34 52 o 42.465  5.1862  232.592    52.326   133.332    99.591   270.442    61.499   30.298  10.774  45.570  5.6856  -15.27168      12.18216 
1 1 1 -14 -34 53 o 20.679  6.9539  55.247     41.245   18.236     87.081   65.951     46.831   21.260  9.1954  22.310  7.4084  -1.050299      11.80842 
1 1 1 -14 -34 54 o 18.263  7.4886  24.778     53.015   -57.0336   106.030  52.049     61.217   19.432  9.0797  21.503  8.2924  -2.070120      12.29653 
1 1 1 -14 -34 55 o 20.288  7.7626  46.274     53.361   161.016    110.380  11.279     60.957   31.943  11.344  18.025  7.7444  13.91761       13.73562 
1 1 1 -14 -34 56 o 17.145  7.1919  16.393     50.465   -26.2379   108.101  28.273     57.065   20.647  9.4770  18.893  7.7608  1.753468       12.24924 
1 1 1 -14 -34 57 o 8.9255  4.4871  -124.6070  43.523   -333.6923  106.820  -82.9869   47.659   13.074  6.6234  10.927  5.3499  2.146823       8.514140 
1 1 1 -14 -34 58 o 17.917  7.7488  9.4647     61.825   -0.0001    126.749  12.420     70.822   23.036  10.454  19.079  8.2723  3.957226       13.33113 
1 1 1 -14 -34 59 o 21.143  7.8803  54.760     54.175   156.372    118.169  27.721     60.958   31.275  11.642  19.201  7.9670  12.07451       14.10712 
1 1 1 -14 -34 60 o 35.922  7.5052  181.433    63.308   222.088    131.131  169.078    72.290   35.895  12.393  33.858  8.7399  2.036507       15.16466 
1 1 1 -14 -34 61 o 23.505  8.1253  75.365     56.378   108.047    124.905  67.003     63.179   28.244  11.528  22.881  8.5136  5.363119       14.33089 
1 1 1 -14 -34 62 o 26.539  10.215  97.710     92.753   -130.8865  241.190  137.384    100.480  25.576  12.413  29.762  10.793  -4.186161      16.44850 
1 1 1 -14 -34 63 o 20.454  9.0835  7.6555     90.134   325.011    267.100  -33.1274   95.750   37.056  16.066  19.055  8.8084  18.00107       18.32213 
1 1 1 -14 -34 64 o 28.218  10.532  124.118    96.829   56.998     278.711  133.332    103.261  29.455  14.046  28.932  10.861  0.5225639      17.75488 
1 1 1 -14 -33 1  o 52.781  4.7569  350.371    60.267   485.822    96.989   265.180    76.919   61.276  6.6290  44.764  7.3359  16.51198       9.887345 
1 1 1 -14 -33 2  o 39.438  5.5519  199.235    51.656   242.803    85.462   174.155    64.842   42.214  8.6347  36.018  7.6554  6.195854       11.53965 
1 1 1 -14 -33 3  o 42.418  5.3792  229.043    54.120   322.706    90.082   176.141    67.700   49.344  7.7817  36.152  7.9355  13.19225       11.11426 
1 1 1 -14 -33 4  o 71.084  4.1087  627.066    70.565   631.760    105.950  623.324    94.598   70.321  6.2754  70.205  5.5999  0.1164398      8.410668 
1 1 1 -14 -33 5  o 84.463  4.0364  881.642    82.723   897.675    123.724  868.680    111.244  84.049  6.1085  82.998  5.5560  1.050896       8.257291 
1 1 1 -14 -33 6  o 82.499  3.9879  840.414    79.829   886.041    120.083  804.280    106.862  83.629  5.9567  79.885  5.5475  3.744347       8.139835 
1 1 1 -14 -33 7  o 46.511  5.2103  273.246    57.791   275.174    78.235   270.930    85.735   45.857  7.2742  45.104  8.1332  0.7528801      10.91157 
1 1 1 -14 -33 8  o 84.273  5.9408  897.651    120.700  1027.05    213.865  837.169    146.211  86.813  10.357  80.367  7.5877  6.446533       12.83930 
1 1 1 -14 -33 9  o 53.780  6.7663  372.183    86.341   372.860    163.901  371.922    101.577  50.164  13.263  53.110  8.1421  -2.945995      15.56312 
1 1 1 -14 -33 10 o 58.118  6.4249  430.989    89.088   337.441    168.572  467.242    104.939  47.549  13.800  60.101  7.3491  -12.55245      15.63453 
1 1 1 -14 -33 11 o 87.141  5.8671  955.375    123.333  1110.01    213.655  878.098    151.038  91.172  9.8126  82.519  7.6298  8.652412       12.42981 
1 1 1 -14 -33 12 o 19.781  7.9820  26.613     59.097   181.354    123.676  -19.1729   67.274   36.393  12.037  17.543  7.8159  18.84948       14.35202 
1 1 1 -14 -33 13 o 27.134  8.4552  95.457     61.663   142.031    124.181  80.215     71.040   33.474  12.017  25.895  9.1111  7.579800       15.08059 
1 1 1 -14 -33 14 o 77.939  4.0137  749.071    75.647   678.440    111.738  808.835    102.783  73.275  6.3473  80.526  5.2898  -7.251190      8.262631 
1 1 1 -14 -33 15 o 27.266  6.4904  96.916     42.320   106.380    59.923   87.499     59.776   28.453  8.2189  26.196  8.3466  2.256441       11.71397 
1 1 1 -14 -33 16 o 40.860  5.6529  211.375    54.544   234.024    71.327   179.479    84.644   42.534  7.1659  36.487  9.4761  6.047493       11.88052 
1 1 1 -14 -33 17 o 22.691  5.8730  66.534     32.585   132.817    59.386   37.980     38.977   31.736  7.7735  18.729  6.7316  13.00734       10.28308 
1 1 1 -14 -33 18 o 92.476  3.6652  1048.25    82.241   1045.66    129.389  1050.00    106.528  91.464  5.8610  92.106  4.7831  -0.6415634     7.565040 
1 1 1 -14 -33 19 o 83.109  3.8363  847.278    77.363   777.174    125.479  890.268    98.260   78.486  6.6515  84.803  4.7950  -6.316589      8.199640 
1 1 1 -14 -33 20 o 34.618  5.5916  152.255    45.368   196.869    78.788   130.124    55.491   38.540  8.6389  31.521  7.3847  7.018957       11.36508 
1 1 1 -14 -33 21 o 112.179 3.8555  1543.33    104.943  1697.99    164.252  1436.65    136.418  116.879 5.7918  107.752 5.2178  9.126839       7.795477 
1 1 1 -14 -33 22 o 89.520  6.2191  1003.88    134.248  1003.88    134.248  0.0000     0.0000   89.520  6.2191  ?       ?       0.000000       6.219105 
1 1 1 -14 -33 23 o 23.873  9.9682  25.362     96.291   25.362     96.291   0.0000     0.0000   23.873  9.9682  ?       ?       0.000000       9.968204 
1 1 1 -14 -33 24 o 15.317  7.4055  -126.9817  83.862   -126.9817  83.862   0.0000     0.0000   15.317  7.4055  ?       ?       0.000000       7.405538 
1 1 1 -14 -33 25 o 98.657  5.3986  1209.11    128.742  1176.17    206.139  1230.18    164.843  95.343  9.0177  98.780  6.9213  -3.436745      11.36764 
1 1 1 -14 -33 26 o 102.474 5.2180  1302.45    129.313  1612.02    211.252  1116.95    163.530  112.575 7.7816  93.928  7.2308  18.64690       10.62252 
1 1 1 -14 -33 27 o 31.845  5.3476  128.827    39.856   223.505    85.262   102.353    45.086   41.059  8.8213  28.042  6.7150  13.01659       11.08630 
1 1 1 -14 -33 28 o 80.081  3.7574  786.269    73.010   815.085    124.989  771.344    89.951   80.482  6.4548  78.945  4.7175  1.536530       7.994928 
1 1 1 -14 -33 29 o 91.738  3.7549  1032.06    83.581   1135.01    138.565  973.172    104.791  95.232  6.0277  88.626  4.8920  6.606087       7.763069 
1 1 1 -14 -33 30 o 10.207  4.6724  -17.4966   26.035   -93.3989   71.591   -5.9289    27.948   14.713  7.0439  11.726  5.1382  2.987272       8.718812 
1 1 1 -14 -33 31 o 48.328  4.2846  289.690    49.723   282.624    96.840   292.220    57.944   46.129  8.9750  48.349  5.0120  -2.219780      10.27964 
1 1 1 -14 -33 32 o 30.375  5.4800  117.971    38.902   129.283    87.096   115.152    43.480   31.408  10.082  29.819  6.2111  1.588997       11.84181 
1 1 1 -14 -33 33 o 81.797  3.8135  821.807    75.688   989.694    131.837  739.266    92.441   88.700  6.1639  77.103  4.9676  11.59689       7.916420 
1 1 1 -14 -33 34 o 32.359  6.0316  134.940    45.615   0.0000     0.0000   134.940    45.615   ?       ?       32.359  6.0316  0.000000       6.031578 
1 1 1 -14 -33 35 o 26.412  6.7402  91.413     43.339   0.0000     0.0000   91.413     43.339   ?       ?       26.412  6.7402  0.000000       6.740242 
1 1 1 -14 -33 36 f 85.108  4.8269  900.748    99.268   0.0000     0.0000   900.748    99.268   ?       ?       85.108  4.8269  0.000000       4.826863 
1 1 1 -14 -33 37 o 52.029  4.7581  338.256    59.403   428.186    145.962  320.404    65.032   55.358  11.250  50.416  5.4002  4.942368       12.47910 
1 1 1 -14 -33 38 o 49.115  4.7334  301.820    55.711   253.810    114.664  316.655    63.740   42.429  11.034  50.122  5.3226  -7.692451      12.25080 
1 1 1 -14 -33 39 o 80.846  4.5936  812.764    89.739   888.146    119.030  713.491    136.595  83.882  5.8855  74.111  7.7089  9.770821       9.698769 
1 1 1 -14 -33 40 o 38.369  6.7928  192.126    60.926   228.543    102.660  172.326    75.699   40.386  10.410  35.583  8.8135  4.802551       13.64011 
1 1 1 -14 -33 41 o 75.006  5.4932  708.425    99.278   890.279    157.517  588.577    127.874  82.546  7.9633  66.956  8.0312  15.59019       11.30992 
1 1 1 -14 -33 42 o 68.924  5.6011  599.999    92.862   572.154    148.291  617.962    119.106  64.848  9.7241  69.083  7.2119  -4.234970      12.10660 
1 1 1 -14 -33 43 o 72.257  3.9616  646.576    69.192   651.424    112.477  643.625    87.763   71.283  6.5771  71.626  5.0829  -0.3424835     8.312277 
1 1 1 -14 -33 44 o 30.543  5.8048  121.101    41.447   -25.5350   78.897   176.994    48.710   18.568  8.3534  37.162  5.5739  -18.59384      10.04232 
1 1 1 -14 -33 45 o 44.432  4.6736  248.287    49.631   300.534    90.530   225.837    59.344   47.380  8.1697  41.872  6.0135  5.508083       10.14429 
1 1 1 -14 -33 46 o 48.548  4.5370  295.648    52.825   244.316    95.525   318.260    63.401   41.823  9.6144  50.096  5.2962  -8.273560      10.97661 
1 1 1 -14 -33 47 o 39.386  6.9518  204.858    64.008   178.524    126.127  213.992    74.285   35.231  12.155  39.805  7.9693  -4.573833      14.53422 
1 1 1 -14 -33 48 o 48.178  6.2625  300.839    71.478   261.147    132.702  317.061    84.837   41.472  12.302  48.902  7.3794  -7.429741      14.34566 
1 1 1 -14 -33 49 o 39.171  6.9757  204.010    63.869   177.888    121.752  213.928    75.020   34.804  11.946  39.580  8.0849  -4.775509      14.42445 
1 1 1 -14 -33 50 o 20.906  6.8666  55.763     40.271   50.634     82.722   57.357     46.103   23.465  9.4524  21.424  7.3510  2.040937       11.97439 
1 1 1 -14 -33 51 o 18.964  6.8443  41.578     40.339   29.483     81.755   45.471     46.377   21.795  9.1486  19.948  7.3172  1.846334       11.71490 
1 1 1 -14 -33 52 o 37.078  5.5645  178.980    48.517   131.136    95.285   195.726    56.372   30.276  10.558  38.481  6.2520  -8.205551      12.26996 
1 1 1 -14 -33 53 o 12.473  5.6644  -17.7629   37.295   -32.7577   80.279   -13.6359   42.116   17.923  8.2048  13.657  6.1268  4.266769       10.23996 
1 1 1 -14 -33 54 o 33.706  6.0846  151.358    47.931   148.704    96.474   152.228    55.230   31.463  10.635  33.332  7.0492  -1.868809      12.75909 
1 1 1 -14 -33 55 f 18.880  7.4198  34.837     49.743   29.562     105.160  36.358     56.459   23.242  10.079  19.667  7.8487  3.574638       12.77433 
1 1 1 -14 -33 56 o 30.551  7.6776  132.045    56.846   316.214    117.161  75.340     65.011   44.965  10.861  23.919  8.6801  21.04582       13.90315 
1 1 1 -14 -33 57 o 24.145  8.8720  76.932     68.222   33.681     137.089  91.169     78.653   25.227  11.203  25.810  9.5197  -0.5825081     14.70134 
1 1 1 -14 -33 58 f 33.419  9.1641  166.795    76.536   -14.6429   149.709  230.994    89.053   24.083  11.091  39.239  9.4632  -15.15543      14.57925 
1 1 1 -14 -33 59 o 18.790  7.6874  28.481     55.707   86.984     136.970  16.886     60.978   27.641  11.734  18.411  7.8233  9.229994       14.10327 
1 1 1 -14 -33 60 o 24.304  8.1987  81.521     57.335   201.758    129.278  52.079     63.971   34.661  12.281  21.602  8.4360  13.05894       14.89889 
1 1 1 -14 -33 61 f 19.571  7.5818  40.989     51.355   -94.0745   124.206  68.840     56.402   19.722  9.3968  22.849  8.1098  -3.126640      12.41244 
1 1 1 -14 -33 62 f 24.290  10.117  59.318     98.844   0.0000     0.0000   59.318     98.844   ?       ?       24.290  10.117  0.000000       10.11725 
1 1 1 -14 -33 63 o 44.482  11.158  320.425    120.222  0.0000     0.0000   320.425    120.222  ?       ?       44.482  11.158  0.000000       11.15796 
1 1 1 -14 -33 64 f 43.288  10.560  299.874    109.924  62.826     294.965  338.105    118.457  30.340  14.463  45.773  10.834  -15.43304      18.07055 
1 1 1 -14 -32 1  o 23.678  6.9487  73.426     42.532   -3.3286    78.034   105.864    50.729   19.722  8.6154  28.153  7.3479  -8.430849      11.32327 
1 1 1 -14 -32 2  o 63.685  4.3072  504.480    66.166   467.746    106.243  527.755    84.568   59.859  7.4781  64.678  5.4392  -4.819798      9.246975 
1 1 1 -14 -32 3  o 69.582  4.0968  600.209    68.862   637.021    102.946  570.399    92.640   70.820  6.0489  67.139  5.7419  3.680374       8.340153 
1 1 1 -14 -32 4  o 93.241  4.0269  1073.15    91.105   1059.87    135.127  1084.21    123.359  91.459  6.1245  92.888  5.4977  -1.429604      8.230063 
1 1 1 -14 -32 5  o 28.502  6.0141  105.806    40.285   50.819     59.688   151.809    54.595   22.023  8.2591  34.008  6.8530  -11.98484      10.73201 
1 1 1 -14 -32 6  o 61.634  4.0929  470.620    60.861   478.276    91.836   464.625    81.270   61.304  6.2619  60.705  5.5800  0.5986557      8.387313 
1 1 1 -14 -32 7  o 31.672  5.5828  128.751    41.336   88.730     61.083   162.561    56.143   26.262  8.4448  35.289  6.8036  -9.026903      10.84451 
1 1 1 -14 -32 8  o 77.809  4.0129  747.475    75.504   733.790    111.645  759.010    102.498  76.242  6.0858  77.841  5.4614  -1.598824      8.176987 
1 1 1 -14 -32 9  o 74.369  4.5702  685.999    82.068   659.676    107.123  723.401    127.693  72.278  6.1672  75.257  7.0760  -2.978874      9.386328 
1 1 1 -14 -32 10 o 24.010  8.3785  68.265     60.014   105.658    128.945  57.925     67.806   31.235  12.038  23.544  8.8080  7.691299       14.91626 
1 1 1 -14 -32 11 o 72.360  5.9534  657.812    103.600  688.213    183.553  643.601    125.502  71.282  10.964  70.916  7.4027  0.3659439      13.22889 
1 1 1 -14 -32 12 o 47.184  6.9116  285.485    76.783   326.565    139.765  267.726    91.893   48.331  11.979  44.981  8.7344  3.349716       14.82488 
1 1 1 -14 -32 13 o 49.707  6.6119  314.562    77.768   315.598    142.479  314.122    92.814   47.474  12.277  49.133  8.0652  -1.658958      14.68939 
1 1 1 -14 -32 14 o 17.638  7.5049  3.9253     56.254   -22.5794   111.749  12.922     65.104   22.829  10.127  19.528  8.1789  3.301003       13.01763 
1 1 1 -14 -32 15 o 64.445  4.2327  512.363    65.818   517.415    160.347  511.339    72.179   61.958  11.072  64.268  4.6603  -2.309761      12.01311 
1 1 1 -14 -32 16 o 112.587 3.7436  1552.61    102.268  1749.57    158.820  1413.10    133.668  118.857 5.5070  106.955 5.1506  11.90243       7.540288 
1 1 1 -14 -32 17 o 160.498 4.2312  3162.43    164.775  3511.09    247.371  2884.35    220.920  168.072 6.0658  152.389 5.9747  15.68297       8.514218 
1 1 1 -14 -32 18 o 154.402 4.2725  2926.57    160.064  2704.74    240.135  3103.92    214.721  147.166 6.7249  158.353 5.5883  -11.18700      8.743758 
1 1 1 -14 -32 19 o 89.802  3.6306  986.588    79.109   1111.52    125.185  903.528    102.074  94.670  5.4731  85.501  4.9412  9.169411       7.373639 
1 1 1 -14 -32 20 o 174.875 4.5745  3758.78    194.105  3702.05    289.167  3805.30    261.871  172.119 6.9240  175.032 6.1660  -2.912460      9.271530 
1 1 1 -14 -32 21 o 90.195  6.1233  1014.15    133.215  1014.15    133.215  0.0000     0.0000   90.195  6.1233  ?       ?       0.000000       6.123304 
1 1 1 -14 -32 22 o 21.673  8.7495  30.215     71.041   30.215     71.041   0.0000     0.0000   21.673  8.7495  ?       ?       0.000000       8.749453 
1 1 1 -14 -32 23 o 117.411 6.1873  1716.02    175.646  1716.02    175.646  0.0000     0.0000   117.411 6.1873  ?       ?       0.000000       6.187310 
1 1 1 -14 -32 24 o 19.979  7.8675  30.704     56.035   10.015     100.884  39.934     67.386   23.546  10.035  22.085  8.6490  1.460548       13.24804 
1 1 1 -14 -32 25 o 89.338  5.1559  987.294    111.289  1065.85    185.788  943.334    138.982  91.385  8.4751  86.767  6.6521  4.618538       10.77399 
1 1 1 -14 -32 26 o 171.130 6.2598  3639.97    259.925  3939.57    393.163  3407.36    346.435  175.342 9.2741  163.506 8.7641  11.83586       12.75999 
1 1 1 -14 -32 27 o 88.606  5.2208  972.149    111.750  1196.01    189.199  852.211    138.487  96.986  8.1143  82.271  7.0041  14.71541       10.71914 
1 1 1 -14 -32 28 f 155.268 4.2867  2959.61    161.497  3229.17    246.203  2756.04    213.958  161.090 6.2989  149.042 5.9164  12.04842       8.641728 
1 1 1 -14 -32 29 o 164.934 4.3554  3341.87    174.302  3857.22    264.312  2945.29    231.863  176.086 6.1863  153.854 6.2110  22.23199       8.766208 
1 1 1 -14 -32 30 o 110.102 3.8527  1485.60    102.926  1773.61    166.500  1307.46    130.943  119.573 5.7387  102.714 5.2717  16.85851       7.792561 
1 1 1 -14 -32 31 o 62.600  3.8745  482.227    58.562   435.661    108.720  501.260    69.507   58.199  7.9034  63.666  4.5289  -5.466949      9.109026 
1 1 1 -14 -32 32 o 13.146  5.5992  0.7525     31.369   -18.9344   77.194   4.6465     34.332   19.018  8.4278  14.124  5.9286  4.893590       10.30420 
1 1 1 -14 -32 33 o 42.581  5.2210  227.627    52.813   0.0000     0.0000   227.627    52.813   ?       ?       42.581  5.2210  0.000000       5.221037 
1 1 1 -14 -32 34 o 34.527  5.8399  152.246    47.180   0.0000     0.0000   152.246    47.180   ?       ?       34.527  5.8399  0.000000       5.839893 
1 1 1 -14 -32 35 o 68.931  4.9650  590.917    82.486   0.0000     0.0000   590.917    82.486   ?       ?       68.931  4.9650  0.000000       4.964953 
1 1 1 -14 -32 36 o 25.286  6.7170  83.386     41.910   81.497     91.039   83.893     47.209   27.292  10.207  25.395  7.2833  1.896738       12.53907 
1 1 1 -14 -32 37 o 70.889  3.8141  619.236    65.362   560.003    104.678  657.089    83.680   66.388  6.5852  72.718  4.7690  -6.330078      8.130736 
1 1 1 -14 -32 38 o 77.450  3.7610  737.243    70.678   772.430    114.175  715.382    89.995   78.267  6.0593  75.799  4.9198  2.468239       7.805113 
1 1 1 -14 -32 39 o 31.816  5.4041  129.435    40.227   123.547    68.911   132.479    49.544   30.391  8.8239  31.843  6.6279  -1.452068      11.03584 
1 1 1 -14 -32 40 o 60.650  5.6173  463.757    81.727   472.787    131.141  458.024    104.503  59.328  9.4251  59.468  7.4026  -0.1399002     11.98463 
1 1 1 -14 -32 41 o 25.371  7.8154  83.721     52.856   -13.5530   88.988   136.745    65.701   20.520  9.0734  31.865  8.3842  -11.34459      12.35404 
1 1 1 -14 -32 42 o 89.895  5.5609  1015.73    120.699  1007.44    186.657  1021.69    158.231  87.187  8.9502  88.991  7.3949  -1.804550      11.60996 
1 1 1 -14 -32 43 f 61.140  3.9685  463.020    58.555   402.062    97.209   497.733    73.356   55.559  7.3945  63.095  4.8282  -7.535805      8.831203 
1 1 1 -14 -32 44 o 66.718  4.0366  551.607    65.039   507.126    108.943  576.241    81.073   62.488  7.3241  67.840  4.9595  -5.352699      8.845335 
1 1 1 -14 -32 45 o 12.324  5.5397  -14.6646   34.612   -40.1698   68.529   -5.9299    40.104   16.448  7.5482  14.099  6.1671  2.349193       9.747261 
1 1 1 -14 -32 46 o 32.796  5.9575  139.604    45.662   237.258    83.366   97.752     54.577   41.873  8.4956  27.064  7.8512  14.80969       11.56795 
1 1 1 -14 -32 47 o 60.724  5.9424  470.450    86.435   392.123    157.013  504.507    103.535  51.157  12.707  62.351  6.9624  -11.19355      14.48898 
1 1 1 -14 -32 48 f 38.171  7.4123  194.426    66.178   240.147    127.762  177.661    77.365   40.175  12.106  35.825  8.9312  4.350315       15.04406 
1 1 1 -14 -32 49 o 49.890  6.4991  323.538    76.806   343.482    145.056  315.768    90.539   47.582  12.428  48.500  7.9706  -0.9172325     14.76453 
1 1 1 -14 -32 50 f 31.960  6.2635  134.758    46.835   -24.6818   90.548   192.995    54.724   19.770  8.9165  38.488  6.0603  -18.71792      10.78103 
1 1 1 -14 -32 51 o 26.980  6.8780  98.161     45.162   133.783    90.452   86.332     52.124   30.800  10.298  25.320  7.7546  5.479580       12.89142 
1 1 1 -14 -32 52 o 22.751  7.0042  68.668     42.460   31.640     90.626   79.081     48.061   22.722  9.5899  24.264  7.4488  -1.542137      12.14298 
1 1 1 -14 -32 53 o 28.643  6.7442  111.163    46.096   -12.7728   95.344   148.969    52.659   20.592  9.2297  33.253  6.7570  -12.66089      11.43871 
1 1 1 -14 -32 54 o 10.437  4.9820  -43.2456   35.245   -157.9100  84.029   -18.7663   38.825   13.998  6.9027  12.693  5.7700  1.305493       8.996725 
1 1 1 -14 -32 55 o 14.582  6.5220  -12.4317   47.333   -81.8546   109.082  3.6716     52.536   18.968  8.9697  16.529  7.1458  2.438328       11.46816 
1 1 1 -14 -32 56 o 21.896  7.9372  60.000     54.336   51.384     116.072  62.418     61.490   25.137  10.740  22.552  8.3974  2.585396       13.63322 
1 1 1 -14 -32 57 o 50.114  5.7373  329.165    68.506   278.443    141.850  344.594    78.235   40.168  12.864  50.773  6.4997  -10.60490      14.41273 
1 1 1 -14 -32 58 o 17.781  7.7751  2.8318     63.694   18.125     140.627  -1.1150    71.441   24.890  11.179  18.417  8.1372  6.473299       13.82699 
1 1 1 -14 -32 59 o 25.163  9.0032  86.348     69.647   -56.2083   148.679  126.425    78.831   22.800  10.685  29.222  9.6075  -6.422344      14.36890 
1 1 1 -14 -32 60 o 32.375  7.6763  147.889    59.385   248.795    137.346  124.688    65.859   38.073  12.689  29.296  8.6610  8.777199       15.36337 
1 1 1 -14 -32 61 o 16.853  7.2709  6.1651     54.169   -77.3249   130.553  23.528     59.535   20.843  9.8432  18.836  7.8494  2.006626       12.58971 
1 1 1 -14 -32 62 o 33.024  11.265  173.608    108.246  0.0000     0.0000   173.608    108.246  ?       ?       33.024  11.265  0.000000       11.26466 
1 1 1 -14 -32 63 o 63.186  8.4902  568.351    126.875  778.707    312.199  526.737    138.859  54.823  19.111  59.171  10.030  -4.347973      21.58300 
1 1 1 -14 -32 64 o 22.957  9.8540  40.194     98.526   300.499    358.955  18.984     102.462  36.063  16.802  22.094  9.7543  13.96865       19.42789 
1 1 1 -14 -31 1  o 67.629  4.2870  567.899    69.985   669.609    110.863  500.512    90.238   72.497  6.3668  62.783  5.9964  9.713554       8.746092 
1 1 1 -14 -31 2  o 53.840  4.2918  360.552    55.601   429.396    82.726   303.827    75.092   58.163  5.9454  48.600  6.5333  9.562599       8.833559 
1 1 1 -14 -31 3  o 35.344  5.1000  158.445    42.471   189.497    62.953   132.506    57.539   38.040  7.0810  31.548  7.6056  6.492550       10.39158 
1 1 1 -14 -31 4  o 25.993  5.8602  87.857     36.077   126.187    51.811   51.781     50.264   30.939  7.0577  21.375  7.6484  9.563965       10.40722 
1 1 1 -14 -31 5  o 15.710  6.0329  21.673     32.303   52.545     47.488   -4.9161    44.071   21.265  7.4512  14.937  6.5011  6.328066       9.888577 
1 1 1 -14 -31 6  o 41.231  4.5973  212.584    45.210   193.809    68.391   227.157    60.253   38.396  7.6098  42.198  6.0585  -3.801804      9.727015 
1 1 1 -14 -31 7  o 73.435  3.9489  664.794    70.104   648.186    104.122  678.565    94.815   71.757  6.0363  73.718  5.3369  -1.961189      8.057266 
1 1 1 -14 -31 8  o 63.969  4.0484  504.998    62.514   556.990    92.977   462.103    84.452   66.617  5.8103  60.634  5.8114  5.982082       8.217798 
1 1 1 -14 -31 9  o 76.805  3.9405  726.099    73.187   790.968    109.191  673.182    98.619   79.563  5.6937  73.414  5.5780  6.149109       7.970689 
1 1 1 -14 -31 10 o 25.242  6.3692  82.631     39.009   61.567     56.933   101.273    53.557   23.156  8.1554  27.845  7.6785  -4.688904      11.20138 
1 1 1 -14 -31 11 o 45.288  5.0901  256.363    54.965   239.447    72.352   279.450    84.525   43.141  7.1631  46.468  7.7711  -3.326790      10.56879 
1 1 1 -14 -31 12 o 93.631  5.7303  1090.84    129.560  1022.56    213.274  1130.77    163.105  88.355  10.131  94.687  7.1520  -6.332039      12.40138 
1 1 1 -14 -31 13 o 21.871  8.1563  47.909     58.053   -85.8015   117.241  91.341     66.819   20.884  9.6866  27.090  8.8423  -6.206278      13.11553 
1 1 1 -14 -31 14 o 91.893  5.6498  1048.33    125.363  1021.97    204.566  1064.19    158.643  88.836  9.6453  91.959  7.1664  -3.123398      12.01619 
1 1 1 -14 -31 15 o 90.349  5.6495  1012.80    123.228  983.450    200.398  1030.65    156.263  87.222  9.6295  90.539  7.1718  -3.316315      12.00671 
1 1 1 -14 -31 16 o 20.092  7.9472  29.877     57.413   113.317    106.552  -4.2601    68.153   31.189  11.138  18.817  8.1369  12.37216       13.79399 
1 1 1 -14 -31 17 o 96.549  3.6758  1139.44    86.113   1135.23    134.598  1142.36    112.044  95.664  5.8264  96.421  4.7891  -0.7575912     7.542050 
1 1 1 -14 -31 18 o 42.725  4.2495  225.775    43.470   225.794    72.596   225.765    54.276   41.952  7.4023  42.482  5.3865  -0.5297356     9.154708 
1 1 1 -14 -31 19 o 98.577  3.6902  1187.48    88.265   1156.89    138.140  1208.59    114.742  96.580  5.9234  99.210  4.7665  -2.629929      7.603030 
1 1 1 -14 -31 20 o 29.510  8.5901  112.175    65.233   112.175    65.233   0.0000     0.0000   29.510  8.5901  ?       ?       0.000000       8.590067 
1 1 1 -14 -31 21 o 53.908  6.5107  365.164    83.436   365.164    83.436   0.0000     0.0000   53.908  6.5107  ?       ?       0.000000       6.510670 
1 1 1 -14 -31 22 o 102.436 6.1246  1302.06    151.530  1302.06    151.530  0.0000     0.0000   102.436 6.1246  ?       ?       0.000000       6.124568 
1 1 1 -14 -31 23 o 107.620 4.6786  1421.04    122.173  1380.07    158.051  1481.86    192.576  105.439 6.2051  108.789 7.3384  -3.349182      9.610156 
1 1 1 -14 -31 24 o 52.712  5.1071  344.718    64.501   379.705    94.645   314.377    88.138   54.749  7.3069  49.662  7.5523  5.086842       10.50847 
1 1 1 -14 -31 25 o 24.183  7.3990  73.380     47.466   40.736     110.407  80.781     52.572   26.425  10.818  25.352  7.7919  1.073101       13.33190 
1 1 1 -14 -31 26 o 102.696 5.3272  1302.14    132.288  1079.95    215.499  1436.50    167.580  91.566  9.8546  107.447 6.4578  -15.88062      11.78204 
1 1 1 -14 -31 27 o 42.526  6.3008  228.636    63.049   262.486    129.561  218.133    72.171   44.080  11.855  41.192  7.4970  2.888332       14.02689 
1 1 1 -14 -31 28 o 99.892  5.3052  1232.83    128.126  1420.39    213.132  1126.69    160.332  105.869 8.3650  94.839  7.0172  11.02929       10.91854 
1 1 1 -14 -31 29 o 19.860  6.2087  48.618     33.219   15.896     79.262   55.590     36.587   21.587  9.0313  21.130  6.5012  0.4571877      11.12793 
1 1 1 -14 -31 30 o 87.288  3.7533  932.080    79.494   1070.84    134.418  857.445    98.582   92.784  6.0028  83.342  4.8965  9.441963       7.746556 
1 1 1 -14 -31 31 o 77.916  3.8154  743.102    72.131   827.571    124.714  700.641    88.421   81.355  6.3687  75.299  4.8656  6.055710       8.014576 
1 1 1 -14 -31 32 o 15.542  6.1950  16.036     35.135   0.0000     0.0000   16.036     35.135   ?       ?       15.542  6.1950  0.000000       6.194997 
1 1 1 -14 -31 33 o 83.662  4.7313  864.464    95.652   0.0000     0.0000   864.464    95.652   ?       ?       83.662  4.7313  0.000000       4.731350 
1 1 1 -14 -31 34 o 44.181  5.4647  245.169    57.333   0.0000     0.0000   245.169    57.333   ?       ?       44.181  5.4647  0.000000       5.464658 
1 1 1 -14 -31 35 o 37.259  5.4844  175.527    48.098   412.262    97.932   100.269    55.217   56.799  7.2730  27.735  7.8508  29.06393       10.70195 
1 1 1 -14 -31 36 o 69.268  3.7996  590.242    63.617   627.434    102.126  566.659    81.322   70.709  6.0094  67.525  4.9989  3.183922       7.816823 
1 1 1 -14 -31 37 o 59.331  3.9741  434.349    56.881   436.244    92.891   433.213    71.948   58.598  6.6511  58.943  5.0802  -0.3458481     8.369292 
1 1 1 -14 -31 38 o 69.467  3.8530  594.519    64.690   526.361    103.807  637.792    82.715   64.334  6.7506  71.668  4.7841  -7.333809      8.273943 
1 1 1 -14 -31 39 o 44.262  4.4229  244.044    46.865   249.908    78.393   240.783    58.462   43.721  7.6693  43.607  5.6587  0.1141357      9.530954 
1 1 1 -14 -31 40 o 17.757  6.3494  34.556     34.635   47.603     58.217   27.408     43.090   21.659  8.1500  17.885  6.9404  3.774046       10.70474 
1 1 1 -14 -31 41 o 22.217  7.6948  58.642     50.574   119.994    84.526   24.431     63.119   30.264  9.9484  20.048  8.1901  10.21633       12.88599 
1 1 1 -14 -31 42 f 24.079  7.5682  74.295     49.285   72.172     82.408   75.478     61.495   25.773  9.6969  24.779  8.4903  0.9946575      12.88850 
1 1 1 -14 -31 43 o 54.854  5.9410  382.019    77.810   389.531    124.718  377.231    99.563   53.377  9.9971  53.634  7.8860  -0.2570534     12.73311 
1 1 1 -14 -31 44 o 64.532  3.9770  515.379    61.970   614.875    103.836  460.336    77.232   69.563  6.2174  60.504  5.3146  9.059093       8.179276 
1 1 1 -14 -31 45 o 18.273  6.6895  35.516     38.734   99.579     74.302   11.609     45.390   27.795  9.3335  16.541  6.8700  11.25390       11.58927 
1 1 1 -14 -31 46 o 44.195  4.9009  245.939    51.669   206.750    94.631   262.585    61.673   38.494  10.030  45.392  5.7270  -6.898010      11.55030 
1 1 1 -14 -31 47 o 53.674  4.4368  359.648    57.265   334.144    105.073  370.424    68.300   49.617  9.0615  54.173  5.2624  -4.556187      10.47874 
1 1 1 -14 -31 48 o 37.535  7.2046  186.593    63.230   7.7769     119.692  255.811    74.469   24.418  10.668  44.100  7.2086  -19.68145      12.87545 
1 1 1 -14 -31 49 o 42.725  6.8707  239.411    68.813   184.900    136.744  257.896    79.630   35.896  12.640  43.955  7.7495  -8.058506      14.82614 
1 1 1 -14 -31 50 o 67.289  4.2704  564.856    69.361   580.025    123.791  557.914    83.740   66.097  7.8736  66.416  5.2389  -0.3183136     9.457238 
1 1 1 -14 -31 51 o 39.056  5.5243  196.412    50.891   124.216    98.717   222.544    59.392   30.256  10.730  41.368  6.1000  -11.11201      12.34277 
1 1 1 -14 -31 52 o 65.149  4.3248  531.802    67.978   639.932    124.573  485.950    81.120   69.383  7.5200  61.677  5.4775  7.705391       9.303389 
1 1 1 -14 -31 53 o 85.027  4.2209  902.611    87.081   959.416    149.429  873.400    107.157  85.060  7.3112  82.776  5.3641  2.284126       9.067907 
1 1 1 -14 -31 54 o 26.044  7.1417  92.584     46.482   147.893    93.726   74.543     53.529   31.776  10.477  23.745  7.9222  8.030979       13.13525 
1 1 1 -14 -31 55 o 44.521  6.2197  261.370    65.354   158.156    133.823  293.697    74.892   32.542  12.331  46.899  6.7778  -14.35739      14.07076 
1 1 1 -14 -31 56 o 30.982  7.9620  135.410    60.179   98.703     126.544  146.138    68.409   28.454  11.607  31.880  8.6317  -3.425259      14.46501 
1 1 1 -14 -31 57 o 33.509  7.5851  156.832    60.236   196.019    126.944  145.445    68.430   34.762  12.182  31.713  8.6524  3.049198       14.94243 
1 1 1 -14 -31 58 o 19.113  8.2319  12.837     69.195   64.712     141.956  -3.3301    79.247   27.113  11.734  19.184  8.5185  7.928513       14.49977 
1 1 1 -14 -31 59 f 33.608  9.3837  167.993    79.450   254.723    159.801  139.515    91.570   37.884  13.629  30.468  10.361  7.415285       17.11987 
1 1 1 -14 -31 60 o 30.923  8.1783  136.732    62.304   39.987     137.942  161.527    69.834   25.788  11.355  33.422  8.5704  -7.633646      14.22631 
1 1 1 -14 -31 61 o 40.327  6.9137  220.879    65.216   140.928    143.655  241.635    73.194   31.129  12.486  41.854  7.4819  -10.72477      14.55581 
1 1 1 -14 -31 62 o 26.067  10.230  85.168     94.440   447.825    279.545  38.444     100.340  43.734  17.461  23.370  9.9853  20.36430       20.11436 
1 1 1 -14 -31 63 o 29.514  10.611  130.017    96.852   299.566    327.440  113.761    101.389  37.546  16.943  28.292  10.730  9.254080       20.05455 
1 1 1 -14 -31 64 o 23.255  9.9625  41.022     100.354  0.0000     0.0000   41.022     100.354  ?       ?       23.255  9.9625  0.000000       9.962518 
1 1 1 -14 -30 1  o 9.8386  4.6024  -26.1829   27.376   -54.8134   37.676   5.8416     39.847   10.463  5.0351  15.150  6.3746  -4.686905      8.123223 
1 1 1 -14 -30 2  o 45.779  5.5139  264.956    60.016   283.312    74.076   229.887    102.388  46.931  6.6948  40.769  10.336  6.162292       12.31485 
1 1 1 -14 -30 3  o 40.275  4.6642  203.168    44.737   183.364    66.478   219.560    60.481   37.316  7.6003  41.416  6.2098  -4.100750      9.814650 
1 1 1 -14 -30 4  o 36.110  5.0822  164.645    43.296   61.501     65.101   246.450    57.977   23.671  8.6715  44.176  5.5300  -20.50463      10.28471 
1 1 1 -14 -30 5  o 145.570 4.3601  2610.91    154.005  2674.11    225.633  2555.78    210.724  146.059 6.3666  142.998 6.0732  3.060959       8.798730 
1 1 1 -14 -30 6  f 117.240 4.0852  1689.17    116.212  1641.02    170.832  1730.65    158.551  114.469 6.1734  118.041 5.5357  -3.571381      8.291844 
1 1 1 -14 -30 7  o 84.408  3.9410  874.227    80.715   807.011    119.331  930.913    109.586  80.224  6.1779  86.578  5.2412  -6.353821      8.101624 
1 1 1 -14 -30 8  o 53.899  4.2412  358.970    55.019   358.968    81.908   358.972    74.268   53.270  6.4698  53.477  5.8175  -0.2074089     8.700623 
1 1 1 -14 -30 9  o 74.804  3.9550  687.703    71.529   595.152    105.644  766.049    97.199   68.847  6.3972  78.628  5.1227  -9.780762      8.195453 
1 1 1 -14 -30 10 o 58.891  4.0777  427.078    57.910   436.719    85.309   418.838    78.864   59.044  6.0396  57.915  5.6853  1.128788       8.294580 
1 1 1 -14 -30 11 o 45.050  4.5924  251.770    49.497   236.577    73.048   264.669    67.305   42.955  7.2677  45.798  6.2174  -2.842480      9.564285 
1 1 1 -14 -30 12 f 55.385  4.7976  379.667    63.836   348.346    83.692   423.240    98.712   52.528  6.7204  57.826  7.1906  -5.297634      9.842186 
1 1 1 -14 -30 13 o 81.783  4.4753  822.527    88.469   785.552    113.847  878.894    140.565  79.507  5.9443  83.758  6.9800  -4.250969      9.168196 
1 1 1 -14 -30 14 o 21.517  8.1557  42.985     58.555   68.287     110.173  33.024     69.127   28.206  11.055  21.768  8.6854  6.438477       14.05907 
1 1 1 -14 -30 15 o 72.958  5.7032  659.969    100.159  710.681    166.333  631.120    125.454  74.407  9.4242  70.815  7.4110  3.592346       11.98910 
1 1 1 -14 -30 16 o 46.363  6.8874  272.055    75.125   313.476    132.068  252.241    91.343   48.448  11.421  44.062  8.8511  4.385979       14.44928 
1 1 1 -14 -30 17 o 57.442  6.1856  411.838    84.854   384.247    144.404  426.390    104.869  53.779  11.419  58.049  7.6303  -4.269653      13.73378 
1 1 1 -14 -30 18 f 78.732  4.1397  759.917    78.805   799.312    171.428  749.361    88.737   79.246  9.0792  78.064  4.7068  1.182541       10.22673 
1 1 1 -14 -30 19 o 49.408  6.9800  308.109    81.349   308.109    81.349   0.0000     0.0000   49.408  6.9800  ?       ?       0.000000       6.980025 
1 1 1 -14 -30 20 o 160.834 6.4604  3195.69    252.116  3195.69    252.116  0.0000     0.0000   160.834 6.4604  ?       ?       0.000000       6.460390 
1 1 1 -14 -30 21 f 56.273  6.4340  395.873    86.271   395.873    86.271   0.0000     0.0000   56.273  6.4340  ?       ?       0.000000       6.433967 
1 1 1 -14 -30 22 o 34.027  6.6333  147.833    52.799   143.499    68.414   154.216    83.030   33.251  8.4592  34.444  9.5842  -1.192474      12.78339 
1 1 1 -14 -30 23 o 64.043  3.8341  502.540    59.306   612.700    107.565  454.427    71.087   70.172  6.3875  60.701  4.8674  9.470467       8.030660 
1 1 1 -14 -30 24 o 160.660 4.3389  3157.31    169.142  3187.04    254.851  3133.91    226.122  160.581 6.5407  159.534 5.8415  1.046890       8.769526 
1 1 1 -14 -30 25 o 51.047  4.0754  320.444    50.057   380.580    95.116   297.409    58.869   54.911  7.3213  48.990  5.0234  5.920650       8.878978 
1 1 1 -14 -30 26 o 80.506  5.2710  799.455    102.396  774.478    175.612  812.320    126.040  77.824  9.4968  80.818  6.4819  -2.993858      11.49803 
1 1 1 -14 -30 27 o 47.572  5.9212  283.084    66.869   209.184    134.799  307.205    77.012   39.994  12.508  49.419  6.5865  -9.425152      14.13583 
1 1 1 -14 -30 28 o 44.872  6.0665  252.813    64.358   106.525    134.202  296.504    73.342   32.485  12.339  48.577  6.3764  -16.09197      13.88898 
1 1 1 -14 -30 29 o 70.761  5.4141  619.680    92.252   626.216    169.158  616.914    110.059  69.392  10.364  70.291  6.5275  -0.8989792     12.24853 
1 1 1 -14 -30 30 o 13.401  5.6837  1.3760     32.084   -13.5893   79.260   4.3089     35.088   19.756  8.6552  14.286  5.9949  5.470186       10.52858 
1 1 1 -14 -30 31 o 76.191  4.6542  714.983    85.629   0.0000     0.0000   714.983    85.629   ?       ?       76.191  4.6542  0.000000       4.654181 
1 1 1 -14 -30 32 o 59.581  4.9185  439.341    70.470   0.0000     0.0000   439.341    70.470   ?       ?       59.581  4.9185  0.000000       4.918490 
1 1 1 -14 -30 33 o 49.201  5.4036  302.105    63.447   0.0000     0.0000   302.105    63.447   ?       ?       49.201  5.4036  0.000000       5.403574 
1 1 1 -14 -30 34 o 60.117  4.1619  445.205    60.336   418.259    110.454  456.665    72.032   57.028  8.2197  60.706  4.9329  -3.678368      9.586335 
1 1 1 -14 -30 35 o 73.805  3.7397  668.539    66.752   651.808    105.577  679.682    86.160   72.194  6.0837  74.141  4.8155  -1.946800      7.758895 
1 1 1 -14 -30 36 o 51.978  3.9668  333.186    49.652   406.809    81.342   289.462    62.685   56.921  5.9788  48.062  5.4728  8.858925       8.105431 
1 1 1 -14 -30 37 o 78.603  3.7616  757.271    71.742   724.049    113.683  779.257    92.484   75.960  6.2227  79.336  4.8273  -3.376717      7.875525 
1 1 1 -14 -30 38 o 115.168 3.9663  1628.57    110.837  1568.78    170.565  1672.28    145.822  111.857 6.3101  116.220 5.1710  -4.362534      8.158289 
1 1 1 -14 -30 39 o 140.016 4.1529  2411.56    141.091  2488.54    215.710  2354.01    186.522  140.975 6.3062  137.572 5.5877  3.402802       8.425593 
1 1 1 -14 -30 40 o 23.567  6.2629  72.071     36.425   129.392    64.999   45.829     43.979   31.191  8.4006  20.190  7.1617  11.00141       11.03901 
1 1 1 -14 -30 41 o 32.080  7.5025  135.934    57.357   -29.1309   93.890   234.214    72.448   20.400  9.1504  42.426  7.3010  -22.02572      11.70615 
1 1 1 -14 -30 42 o 32.250  7.3296  137.239    56.053   137.185    95.469   137.268    69.245   32.177  10.573  31.983  8.6946  0.1935215      13.68849 
1 1 1 -14 -30 43 o 17.883  7.1335  23.217     46.621   94.221     83.536   -8.9019    56.184   27.808  9.8697  16.577  7.2741  11.23136       12.26062 
1 1 1 -14 -30 44 o 92.519  3.8815  1053.91    87.136   1075.53    140.405  1040.37    111.126  92.167  6.3164  91.340  5.0335  0.8272324      8.076680 
1 1 1 -14 -30 45 o 45.629  4.7923  261.073    52.265   247.476    94.979   266.978    62.595   42.581  9.4404  45.828  5.7562  -3.246296      11.05691 
1 1 1 -14 -30 46 o 74.914  4.0485  694.381    73.318   647.149    126.114  718.494    90.110   70.690  7.4655  75.858  4.9222  -5.167786      8.942144 
1 1 1 -14 -30 47 f 32.327  6.0142  135.486    45.438   86.383     88.135   153.262    53.029   27.208  10.069  34.227  6.6247  -7.019360      12.05273 
1 1 1 -14 -30 48 o 44.510  6.6459  256.927    69.577   344.181    137.381  226.826    80.691   48.777  11.748  41.024  8.3894  7.753689       14.43568 
1 1 1 -14 -30 49 o 101.820 5.7476  1310.75    141.419  1323.79    243.206  1304.08    173.827  98.030  10.383  100.438 7.1801  -2.407486      12.62356 
1 1 1 -14 -30 50 o 59.414  6.0099  451.624    85.448   472.559    162.491  443.621    100.461  56.617  12.189  58.202  7.2724  -1.585720      14.19363 
1 1 1 -14 -30 51 o 67.000  4.3411  560.596    70.194   475.928    125.653  599.005    84.631   58.991  9.0690  68.900  5.0985  -9.909576      10.40392 
1 1 1 -14 -30 52 o 65.747  4.3822  541.122    69.508   638.508    125.585  498.114    83.457   69.419  7.5790  62.482  5.5630  6.936153       9.401486 
1 1 1 -14 -30 53 o 104.367 4.2329  1357.98    107.194  1354.40    180.628  1359.93    133.182  101.266 7.4025  103.522 5.3201  -2.255554      9.115936 
1 1 1 -14 -30 54 o 58.935  4.6322  438.610    65.707   456.448    122.512  431.407    77.851   57.109  9.1501  57.925  5.6093  -0.8160553     10.73261 
1 1 1 -14 -30 55 o 60.816  4.5541  467.262    66.715   524.660    126.388  445.091    78.550   61.440  8.7228  58.775  5.5746  2.665314       10.35199 
1 1 1 -14 -30 56 o 57.988  5.5087  434.032    76.578   552.854    148.366  390.882    89.408   61.322  10.339  54.052  6.9802  7.270679       12.47471 
1 1 1 -14 -30 57 o 34.520  7.5946  165.570    61.885   77.609     131.802  190.445    70.091   27.527  11.589  36.806  8.0707  -9.279396      14.12201 
1 1 1 -14 -30 58 o 12.086  5.8636  -80.4746   53.687   -143.9599  130.897  -67.6353   58.866   19.142  9.2540  13.413  6.4126  5.728079       11.25865 
1 1 1 -14 -30 59 o 25.811  9.1804  90.674     72.313   128.751    151.003  79.343     82.373   30.718  12.622  25.176  9.6418  5.542213       15.88342 
1 1 1 -14 -30 60 o 25.614  8.3096  91.165     59.044   75.718     132.760  94.974     65.922   27.351  11.579  26.122  8.7914  1.228649       14.53801 
1 1 1 -14 -30 61 o 42.810  6.7605  246.611    67.893   403.192    155.338  209.637    75.484   49.222  12.863  38.454  8.3309  10.76753       15.32554 
1 1 1 -14 -30 62 o 46.752  6.4589  291.218    71.313   263.748    159.528  298.078    79.722   38.761  13.652  46.784  7.2580  -8.023300      15.46111 
1 1 1 -14 -30 63 o 26.220  10.165  88.206     92.354   19.302     325.036  94.257     96.324   31.863  15.187  26.823  10.386  5.039841       18.39862 
1 1 1 -14 -30 64 o 36.035  10.983  207.635    104.717  615.348    370.553  172.248    109.166  45.179  19.244  32.832  11.309  12.34674       22.32054 
1 1 1 -14 -30 65 o 25.032  9.9083  79.352     89.302   -275.5086  335.721  106.372    92.640   26.857  13.341  27.206  10.271  -0.3484726     16.83694 
1 1 1 -14 -29 1  o 14.336  6.0024  5.8136     35.048   10.720     41.850   -5.7084    64.133   15.980  6.6134  17.980  7.8335  -2.000012      10.25189 
1 1 1 -14 -29 2  o 75.740  4.7910  712.037    87.594   693.951    107.728  747.324    150.476  74.283  6.0289  75.947  8.3009  -1.663780      10.25925 
1 1 1 -14 -29 3  o 105.984 4.3650  1383.37    112.249  1349.12    190.357  1401.62    138.984  102.820 7.6856  106.127 5.4153  -3.306465      9.401798 
1 1 1 -14 -29 4  o 82.630  3.8820  837.697    77.832   852.096    116.620  826.133    104.515  82.559  5.8597  81.499  5.3142  1.059654       7.910581 
1 1 1 -14 -29 5  o 83.019  3.8751  845.014    78.059   876.819    116.504  819.106    105.152  83.853  5.7610  81.180  5.3686  2.673256       7.874748 
1 1 1 -14 -29 6  o 67.693  3.9883  563.690    65.218   556.382    96.823   569.758    88.239   66.661  6.0520  67.669  5.4196  -1.007843      8.123981 
1 1 1 -14 -29 7  o 23.621  6.5595  71.602     38.934   28.413     61.524   100.451    50.282   20.420  8.1778  27.812  7.3429  -7.391882      10.99068 
1 1 1 -14 -29 8  o 35.967  4.9807  162.100    42.300   126.017    62.163   193.216    57.726   31.067  8.1463  38.993  6.3175  -7.925898      10.30891 
1 1 1 -14 -29 9  o 61.895  4.0325  470.868    60.230   481.619    89.044   461.800    81.776   62.128  5.9807  60.931  5.5938  1.197151       8.188964 
1 1 1 -14 -29 10 o 59.468  4.0747  434.714    58.440   420.313    86.283   446.920    79.434   57.964  6.2327  59.980  5.5200  -2.015423      8.325724 
1 1 1 -14 -29 11 o 68.899  3.5819  581.089    59.674   626.587    96.758   553.159    75.809   71.095  5.6557  67.004  4.6926  4.091797       7.348949 
1 1 1 -14 -29 12 o 54.195  3.7446  360.331    48.938   377.871    81.655   350.498    61.135   54.981  6.2308  53.259  4.7817  1.722031       7.854141 
1 1 1 -14 -29 13 o 80.826  3.5878  797.094    70.363   705.151    111.802  857.397    90.544   75.365  6.1679  83.578  4.4812  -8.212700      7.623909 
1 1 1 -14 -29 14 o 51.548  3.8660  326.206    48.002   260.693    78.988   364.569    60.444   45.271  7.4500  54.380  4.6248  -9.108551      8.768756 
1 1 1 -14 -29 15 f 14.374  6.5594  -32.1357   50.783   -18.5723   100.504  -36.7858   58.848   22.170  9.7286  15.477  7.0619  6.693029       12.02147 
1 1 1 -14 -29 16 o 56.083  6.1086  391.579    81.782   485.246    136.473  339.096    102.155  61.532  9.4423  51.525  8.4652  10.00735       12.68131 
1 1 1 -14 -29 17 o 56.513  6.2557  397.870    84.341   364.441    142.852  415.758    104.498  52.552  11.521  57.414  7.6947  -4.861786      13.85394 
1 1 1 -14 -29 18 o 78.248  9.2177  776.031    171.652  776.031    171.652  0.0000     0.0000   78.248  9.2177  ?       ?       0.000000       9.217724 
1 1 1 -14 -29 19 o 88.063  8.9602  977.871    188.793  977.871    188.793  0.0000     0.0000   88.063  8.9602  ?       ?       0.000000       8.960211 
1 1 1 -14 -29 20 o 174.869 6.6941  3770.88    284.035  3770.88    284.035  0.0000     0.0000   174.869 6.6941  ?       ?       0.000000       6.694135 
1 1 1 -14 -29 21 o 84.324  3.6778  866.901    75.250   862.018    119.517  870.107    96.858   83.556  5.9336  84.209  4.7599  -0.6532059     7.606839 
1 1 1 -14 -29 22 o 75.898  4.0322  704.963    73.990   1035.49    165.124  621.927    82.764   91.156  7.5330  71.138  4.8234  20.01838       8.944929 
1 1 1 -14 -29 23 o 172.137 4.4415  3620.86    185.512  3715.63    276.020  3542.78    250.535  173.643 6.5512  169.738 6.0831  3.905548       8.939898 
1 1 1 -14 -29 24 f 85.509  3.7032  891.585    76.833   859.456    128.501  909.463    95.855   83.301  6.4067  86.124  4.6037  -2.822456      7.889191 
1 1 1 -14 -29 25 o 69.985  3.7835  599.129    64.009   678.025    112.402  561.264    77.869   73.944  6.3256  67.562  4.7809  6.382423       7.929142 
1 1 1 -14 -29 26 o 63.751  5.4962  502.350    84.187   762.960    155.668  394.620    100.086  77.848  8.3728  55.947  7.5670  21.90072       11.28554 
1 1 1 -14 -29 27 o 46.937  6.1316  275.622    68.163   311.810    139.428  264.258    78.137   48.435  11.940  45.660  7.2984  2.774220       13.99394 
1 1 1 -14 -29 28 o 18.368  7.1704  25.993     46.205   -25.1402   119.859  34.918     50.075   23.977  10.570  19.808  7.5338  4.169193       12.97976 
1 1 1 -14 -29 29 o 51.034  5.9403  324.828    72.183   285.729    147.325  337.179    82.803   46.195  12.734  51.811  6.7466  -5.615799      14.41063 
1 1 1 -14 -29 30 o 79.749  4.6987  781.754    90.520   0.0000     0.0000   781.754    90.520   ?       ?       79.749  4.6987  0.000000       4.698703 
1 1 1 -14 -29 31 o 51.550  4.9921  329.069    61.660   0.0000     0.0000   329.069    61.660   ?       ?       51.550  4.9921  0.000000       4.992145 
1 1 1 -14 -29 32 o 67.515  4.9063  562.359    79.825   0.0000     0.0000   562.359    79.825   ?       ?       67.515  4.9063  0.000000       4.906289 
1 1 1 -14 -29 33 f 62.056  4.1026  473.263    61.425   516.734    111.347  454.246    73.645   64.008  7.2999  60.589  5.0556  3.419502       8.879622 
1 1 1 -14 -29 34 o 59.768  3.9042  438.812    56.309   478.021    88.996   412.638    72.714   61.891  6.0017  57.658  5.2552  4.232590       7.977323 
1 1 1 -14 -29 35 o 34.610  5.0136  150.361    40.878   217.924    66.749   109.813    51.709   41.304  6.9039  29.081  7.3304  12.22219       10.06969 
1 1 1 -14 -29 36 o 26.794  5.8989  92.304     37.312   79.269     64.553   98.843     45.723   25.691  8.6993  27.614  6.8558  -1.923092      11.07608 
1 1 1 -14 -29 37 o 66.851  3.8274  549.136    61.825   505.625    100.445  575.675    78.446   63.333  6.6348  68.217  4.7693  -4.884445      8.171080 
1 1 1 -14 -29 38 o 79.309  3.7492  770.576    72.148   670.495    115.702  834.248    92.287   72.968  6.6066  82.182  4.6471  -9.214081      8.077331 
1 1 1 -14 -29 39 o 76.327  3.7825  714.270    70.052   668.996    113.901  741.815    88.842   72.862  6.5112  77.412  4.7528  -4.550674      8.061353 
1 1 1 -14 -29 40 o 93.199  3.8038  1065.73    86.020   1070.28    137.915  1062.84    110.049  92.361  6.1898  92.603  4.9153  -0.2424469     7.904088 
1 1 1 -14 -29 41 o 71.979  3.8043  637.772    66.207   723.708    108.683  587.065    83.485   75.922  5.9473  68.671  5.0457  7.250893       7.799318 
1 1 1 -14 -29 42 o 23.936  7.8198  71.511     52.255   149.050    86.836   27.492     65.427   33.286  9.9693  20.624  8.3718  12.66136       13.01826 
1 1 1 -14 -29 43 o 37.920  6.8617  186.758    60.811   214.567    102.301  171.562    75.621   39.418  10.506  35.712  8.7870  3.705433       13.69591 
1 1 1 -14 -29 44 o 92.790  5.5174  1077.76    123.663  1194.49    191.747  994.630    161.810  95.874  8.3252  87.882  7.6650  7.991898       11.31643 
1 1 1 -14 -29 45 o 30.607  6.0873  121.461    43.616   61.724     84.619   143.074    50.898   25.111  9.7311  33.138  6.5622  -8.027275      11.73699 
1 1 1 -14 -29 46 o 49.437  4.6917  305.479    55.604   348.045    99.532   286.167    67.042   51.337  8.2714  47.411  5.9595  3.926273       10.19472 
1 1 1 -14 -29 47 o 30.828  6.0901  123.430    43.939   183.489    83.407   100.360    51.693   36.608  9.3550  27.513  7.5259  9.095091       12.00650 
1 1 1 -14 -29 48 o 80.294  4.8544  804.520    94.133   962.232    136.051  659.687    130.378  86.912  6.4985  71.209  7.6666  15.70297       10.05027 
1 1 1 -14 -29 49 o 72.877  5.7422  671.773    100.716  666.866    183.685  673.882    120.434  68.758  11.410  72.319  6.9488  -3.561478      13.35946 
1 1 1 -14 -29 50 o 24.653  8.1097  77.973     56.165   97.775     120.181  72.439     63.530   29.589  11.561  24.395  8.6125  5.194328       14.41605 
1 1 1 -14 -29 51 o 63.986  4.3773  510.991    67.552   539.905    121.507  498.056    81.269   63.774  8.0302  62.719  5.3927  1.055580       9.672953 
1 1 1 -14 -29 52 o 67.058  4.3307  561.623    70.089   616.852    127.248  537.570    83.976   68.179  7.8343  65.107  5.3634  3.071556       9.494371 
1 1 1 -14 -29 53 o 67.100  4.3884  563.756    71.055   547.795    129.272  570.665    85.056   63.459  8.6186  67.057  5.2700  -3.598774      10.10209 
1 1 1 -14 -29 54 o 14.390  6.2158  -0.2654    39.683   82.379     88.302   -21.1807   44.422   26.262  10.001  13.610  6.1811  12.65243       11.75662 
1 1 1 -14 -29 55 o 42.684  5.5889  235.752    56.493   166.094    109.270  261.164    65.998   33.427  11.318  44.616  6.2694  -11.18911      12.93862 
1 1 1 -14 -29 56 f 65.673  5.0705  549.765    80.173   669.071    154.704  505.958    93.744   68.600  9.5535  62.186  6.2997  6.414654       11.44357 
1 1 1 -14 -29 57 o 39.885  7.0479  215.295    65.712   179.996    136.455  225.952    74.979   33.969  12.537  40.347  7.9417  -6.377949      14.84069 
1 1 1 -14 -29 58 o 43.306  8.4676  264.543    85.788   171.136    165.079  299.102    100.412  33.460  13.397  45.385  9.4264  -11.92456      16.38115 
1 1 1 -14 -29 59 o 31.153  9.4200  142.225    77.258   230.186    157.630  114.414    88.635   36.836  13.493  28.436  10.158  8.400337       16.88981 
1 1 1 -14 -29 60 o 54.772  5.9348  392.304    77.611   418.288    183.785  386.664    85.620   48.177  14.520  53.860  6.6961  -5.682476      15.98981 
1 1 1 -14 -29 61 o 17.901  7.5448  15.376     55.972   203.370    137.678  -21.8463   61.263   35.420  12.660  16.056  7.2792  19.36364       14.60344 
1 1 1 -14 -29 62 o 41.271  7.2058  231.926    69.534   273.361    158.325  222.024    77.397   39.702  13.622  39.677  8.3059  0.2471924E-01  15.95490 
1 1 1 -14 -29 63 o 23.971  9.6779  60.214     86.927   -455.7724  319.979  101.329    90.324   25.266  12.625  27.293  10.175  -2.026968      16.21480 
1 1 1 -14 -29 64 o 17.897  8.2421  -35.5053   82.685   -113.4914  325.077  -30.1108   85.497   29.501  14.339  18.453  8.4547  11.04819       16.64602 
1 1 1 -14 -29 65 o 26.323  10.522  88.892     101.646  350.316    370.539  67.618     105.700  37.759  17.410  25.140  10.466  12.61914       20.31381 
1 1 1 -14 -28 1  o 93.028  3.8879  1062.29    87.760   1096.33    130.437  1034.13    118.625  93.692  5.7656  91.152  5.3874  2.540840       7.890918 
1 1 1 -14 -28 2  o 97.582  3.8929  1168.07    92.173   1159.89    135.622  1175.09    125.653  96.425  5.8240  97.267  5.3446  -0.8419952     7.904613 
1 1 1 -14 -28 3  o 54.378  4.0765  364.796    53.396   311.695    80.855   405.865    71.107   49.448  6.9292  57.092  5.1897  -7.644012      8.657132 
1 1 1 -14 -28 4  o 52.902  4.0638  345.083    51.765   357.258    78.050   335.522    69.166   53.296  6.1483  51.789  5.5930  1.507355       8.311612 
1 1 1 -14 -28 5  o 44.105  4.4255  241.067    46.722   256.304    69.453   228.472    63.146   44.954  6.5606  42.462  6.3217  2.492043       9.110711 
1 1 1 -14 -28 6  o 69.994  3.8953  601.212    65.894   579.543    97.525   619.415    89.383   68.200  5.9531  70.727  5.2458  -2.526566      7.934566 
1 1 1 -14 -28 7  o 119.728 4.0583  1754.04    117.898  1639.02    172.465  1854.95    161.536  114.926 6.2077  122.714 5.4252  -7.788055      8.244270 
1 1 1 -14 -28 8  o 113.022 4.0017  1561.84    109.741  1533.42    160.521  1586.78    150.370  111.312 5.9650  113.543 5.4581  -2.230713      8.085256 
1 1 1 -14 -28 9  o 123.868 4.6454  1879.84    139.621  1844.91    178.339  1935.15    224.415  122.310 6.0093  124.514 7.4624  -2.203659      9.581141 
1 1 1 -14 -28 10 o 116.240 3.7774  1649.30    106.539  1712.52    164.129  1603.27    140.057  117.979 5.7335  114.333 5.0486  3.645958       7.639418 
1 1 1 -14 -28 11 o 105.506 3.6854  1357.94    94.346   1389.39    146.428  1335.61    123.367  106.168 5.7051  104.422 4.8690  1.746193       7.500367 
1 1 1 -14 -28 12 o 61.241  3.6968  459.045    54.675   444.520    88.801   467.913    69.386   59.780  6.2128  61.672  4.6714  -1.891842      7.773104 
1 1 1 -14 -28 13 o 74.784  3.9222  684.193    70.923   713.904    133.072  672.406    83.819   75.629  7.3442  74.003  4.6923  1.625954       8.715236 
1 1 1 -14 -28 14 o 19.076  6.0788  43.869     31.705   -43.7934   56.211   84.770     38.395   14.665  6.7685  25.752  6.2157  -11.08700      9.189504 
1 1 1 -14 -28 15 o 133.014 3.9635  2157.97    127.921  2041.92    193.078  2248.76    170.783  128.901 6.1732  135.526 5.1935  -6.624863      8.067265 
1 1 1 -14 -28 16 o 95.994  5.5141  1132.74    127.896  1462.56    202.516  913.932    164.953  108.472 7.7454  85.536  8.0423  22.93639       11.16551 
1 1 1 -14 -28 17 o 69.877  9.8167  621.339    161.851  621.339    161.851  0.0000     0.0000   69.877  9.8167  ?       ?       0.000000       9.816695 
1 1 1 -14 -28 18 o 41.205  11.722  220.715    122.779  220.715    122.779  0.0000     0.0000   41.205  11.722  ?       ?       0.000000       11.72188 
1 1 1 -14 -28 19 o 73.590  9.3854  684.852    163.771  684.852    163.771  0.0000     0.0000   73.590  9.3854  ?       ?       0.000000       9.385409 
1 1 1 -14 -28 20 o 27.253  6.4746  94.882     42.181   28.484     113.392  105.546    45.441   26.299  10.885  28.738  6.6488  -2.438667      12.75523 
1 1 1 -14 -28 21 o 7.2154  3.5338  -40.9794   20.846   -83.2457   54.894   -33.8569   22.534   12.584  6.0613  8.1120  3.9014  4.472283       7.208324 
1 1 1 -14 -28 22 o 26.645  5.0412  89.620     31.398   -1.7308    63.632   119.021    36.099   18.520  7.9335  30.818  4.9988  -12.29779      9.377041 
1 1 1 -14 -28 23 o 69.012  3.6296  581.760    60.565   570.973    101.287  587.764    75.562   67.924  6.2146  69.240  4.5225  -1.316322      7.685941 
1 1 1 -14 -28 24 o 50.305  4.1406  310.725    50.092   315.813    97.355   308.893    58.418   49.849  8.3439  50.041  4.8731  -0.1920013     9.662669 
1 1 1 -14 -28 25 o 63.215  3.8817  488.954    59.251   496.178    107.485  485.800    71.016   63.053  7.1520  62.888  4.6877  0.1656151      8.551341 
1 1 1 -14 -28 26 o 70.687  3.8272  610.880    65.399   808.010    113.969  514.102    79.854   80.954  5.8414  64.618  5.1354  16.33518       7.777775 
1 1 1 -14 -28 27 o 131.506 5.5971  2120.40    178.597  2391.39    281.598  1938.04    231.000  138.504 8.4192  124.933 7.6572  13.57120       11.38050 
1 1 1 -14 -28 28 o 14.943  6.5191  -8.2667    44.550   -35.7114   111.397  -3.0415    48.607   22.633  10.072  16.066  6.9093  6.567402       12.21441 
1 1 1 -14 -28 29 o 83.220  6.8495  860.120    137.081  0.0000     0.0000   860.120    137.081  ?       ?       83.220  6.8495  0.000000       6.849533 
1 1 1 -14 -28 30 o 64.980  7.1085  528.016    110.250  0.0000     0.0000   528.016    110.250  ?       ?       64.980  7.1085  0.000000       7.108508 
1 1 1 -14 -28 31 o 105.704 4.9831  1369.18    127.806  0.0000     0.0000   1369.18    127.806  ?       ?       105.704 4.9831  0.000000       4.983081 
1 1 1 -14 -28 32 o 121.695 3.9848  1808.94    117.663  1987.37    185.644  1689.13    152.120  127.007 6.0241  117.280 5.3456  9.726295       8.053905 
1 1 1 -14 -28 33 o 118.956 3.8878  1728.57    112.215  1689.36    171.320  1758.04    148.506  116.881 6.0617  119.667 5.1145  -2.786911      7.931101 
1 1 1 -14 -28 34 o 104.385 3.7670  1331.04    95.410   1341.77    147.282  1323.29    125.243  104.148 5.8519  103.818 4.9718  0.3295212      7.678797 
1 1 1 -14 -28 35 o 117.416 3.8899  1685.70    110.824  1688.73    169.602  1683.43    146.401  116.750 6.0074  116.994 5.1572  -0.2434998     7.917421 
1 1 1 -14 -28 36 o 58.097  3.8599  414.641    54.103   386.905    88.643   431.108    68.301   55.406  6.7319  59.046  4.8091  -3.639664      8.273166 
1 1 1 -14 -28 37 o 49.041  4.0468  296.549    47.723   310.942    80.479   288.742    59.269   49.502  6.8870  48.146  5.1534  1.355499       8.601646 
1 1 1 -14 -28 38 o 45.014  4.3167  250.935    46.571   299.453    79.801   225.877    57.349   48.487  6.9844  42.350  5.7279  6.136822       9.032769 
1 1 1 -14 -28 39 o 64.342  3.8131  508.932    59.266   587.259    99.002   465.185    73.988   68.494  6.0180  61.205  5.0265  7.289665       7.841001 
1 1 1 -14 -28 40 o 98.644  3.8001  1192.83    90.955   1243.94    144.056  1158.95    117.290  99.815  5.9755  96.741  5.0139  3.073433       7.800401 
1 1 1 -14 -28 41 o 92.107  3.7926  1040.60    84.761   1102.72    135.802  1000.96    108.487  93.878  5.9930  89.845  4.9962  4.033142       7.802479 
1 1 1 -14 -28 42 o 33.795  7.4237  149.876    59.211   135.614    96.558   158.471    74.960   32.259  10.634  34.415  8.9076  -2.156879      13.87201 
1 1 1 -14 -28 43 o 19.499  7.2244  38.966     45.399   -150.3540  86.530   110.871    53.327   14.915  7.2822  29.005  7.5161  -14.08965      10.46528 
1 1 1 -14 -28 44 o 99.757  5.5861  1244.28    134.670  1170.12    206.554  1299.10    177.610  94.438  9.1280  100.892 7.3046  -6.454269      11.69090 
1 1 1 -14 -28 45 o 10.315  4.8407  -30.8512   30.706   -105.5719  59.972   -4.3046    35.746   12.449  6.0748  13.481  5.8610  -1.031538      8.441265 
1 1 1 -14 -28 46 o 41.252  5.0618  214.341    49.602   215.620    93.440   213.839    58.529   39.682  9.7699  40.878  6.0866  -1.196255      11.51073 
1 1 1 -14 -28 47 f 17.735  6.6789  30.594     39.112   64.072     82.695   20.946     44.391   25.139  9.6528  17.346  6.9465  7.793402       11.89242 
1 1 1 -14 -28 48 o 35.144  6.9175  161.855    56.888   74.001     88.745   223.139    74.120   26.323  10.025  41.101  7.7156  -14.77732      12.65059 
1 1 1 -14 -28 49 o 39.462  7.2233  204.614    66.616   214.028    133.612  201.500    76.848   38.625  12.497  38.675  8.4274  -0.4970551E-01 15.07292 
1 1 1 -14 -28 50 o 43.834  6.9371  250.639    71.326   104.135    141.394  300.643    82.606   31.168  12.426  47.900  7.3414  -16.73253      14.43284 
1 1 1 -14 -28 51 o 12.553  5.7435  -23.9527   39.265   -3.8121    81.537   -30.0336   44.803   20.069  8.7859  13.200  6.0743  6.869912       10.68123 
1 1 1 -14 -28 52 o 59.387  4.5882  441.883    65.602   547.344    122.647  399.619    77.642   64.162  8.0556  55.928  5.8060  8.234085       9.929845 
1 1 1 -14 -28 53 o 88.886  4.2059  982.009    90.710   1054.45    159.632  947.464    110.237  89.648  7.4049  86.578  5.2726  3.070053       9.090294 
1 1 1 -14 -28 54 o 56.075  4.7437  396.707    63.937   428.819    126.319  385.647    74.135   55.145  9.7996  54.848  5.6515  0.2975273      11.31245 
1 1 1 -14 -28 55 o 19.219  7.1829  39.909     45.072   109.804    98.534   21.414     50.686   28.835  10.651  17.938  7.3350  10.89736       12.93258 
1 1 1 -14 -28 56 o 51.632  5.8391  345.530    71.866   380.642    150.548  335.167    81.787   48.958  12.600  50.235  6.8915  -1.277195      14.36110 
1 1 1 -14 -28 57 o 58.067  5.5215  434.494    76.859   495.676    157.455  415.356    88.064   56.688  11.830  56.081  6.5978  0.6071625      13.54513 
1 1 1 -14 -28 58 f 37.141  7.3871  189.010    64.229   216.159    147.592  182.667    71.338   36.359  13.096  35.968  8.3368  0.3915901      15.52440 
1 1 1 -14 -28 59 o 12.376  6.0906  -121.1569  64.349   112.483    152.644  -171.6522  70.963   30.260  12.586  11.976  5.9786  18.28366       13.93347 
1 1 1 -14 -28 60 o 37.352  9.3448  203.561    84.483   141.051    180.963  220.982    95.533   32.389  13.604  38.430  10.109  -6.040783      16.94917 
1 1 1 -14 -28 61 o 34.483  7.6614  164.884    62.438   87.465     163.029  178.191    67.591   29.503  12.670  35.693  8.0022  -6.189396      14.98561 
1 1 1 -14 -28 62 o 14.755  6.5344  -8.2032    46.331   -237.4206  140.064  19.958     49.094   17.977  8.8736  17.476  7.1909  0.5009804      11.42151 
1 1 1 -14 -28 63 o 27.210  10.404  96.739     95.809   296.736    362.938  81.758     99.332   38.878  17.661  26.265  10.433  12.61297       20.51243 
1 1 1 -14 -28 64 o 23.985  9.8121  57.666     90.751   99.635     333.201  54.304     94.317   33.722  15.864  23.987  9.9278  9.734961       18.71454 
1 1 1 -14 -28 65 o 19.162  8.7518  -24.8159   90.661   245.673    369.755  -42.1176   93.516   36.113  16.900  18.696  8.6645  17.41761       18.99181 
1 1 1 -14 -27 1  o 54.477  3.9391  365.649    51.717   374.152    77.291   358.756    69.591   54.592  5.9304  53.591  5.4266  1.000214       8.038454 
1 1 1 -14 -27 2  o 120.946 4.0705  1793.15    119.453  1683.02    174.724  1889.79    163.682  116.223 6.2183  123.655 5.4554  -7.432297      8.272152 
1 1 1 -14 -27 3  o 141.074 4.2579  2440.04    145.749  2397.15    212.312  2478.27    200.440  138.968 6.2964  141.525 5.8370  -2.557083      8.585758 
1 1 1 -14 -27 4  f 73.655  3.8174  665.081    67.989   603.257    100.602  717.057    92.242   69.594  6.0168  76.204  5.0167  -6.610863      7.833885 
1 1 1 -14 -27 5  o 74.089  3.8709  672.734    69.346   723.399    102.961  630.670    93.816   76.428  5.5909  71.370  5.4589  5.058121       7.813917 
1 1 1 -14 -27 6  o 30.266  5.4395  115.962    38.478   86.800     56.836   140.637    52.281   26.311  8.1042  33.129  6.7334  -6.817806      10.53640 
1 1 1 -14 -27 7  o 45.657  4.3468  257.218    47.574   229.214    70.863   280.196    64.190   42.462  7.1306  47.401  5.6950  -4.938747      9.125709 
1 1 1 -14 -27 8  o 65.795  3.5702  529.432    56.784   548.652    92.389   517.763    71.986   66.561  5.7778  64.892  4.6017  1.668839       7.386396 
1 1 1 -14 -27 9  o 22.906  5.5113  66.940     30.260   113.338    53.780   45.446     36.604   29.684  7.4721  19.700  6.5501  9.984074       9.936583 
1 1 1 -14 -27 10 o 63.402  3.6202  491.524    55.461   374.254    90.802   561.308    70.045   54.643  7.0101  67.665  4.2884  -13.02222      8.217807 
1 1 1 -14 -27 11 f 8.6858  4.1617  -35.6236   25.099   -24.9521   45.837   -40.1936   29.996   13.958  6.3150  9.6287  4.5960  4.329188       7.810460 
1 1 1 -14 -27 12 o 73.615  3.5757  660.142    63.869   786.020    102.360  579.886    81.732   79.962  5.3058  68.697  4.9363  11.26578       7.246968 
1 1 1 -14 -27 13 o 133.156 3.9779  2161.46    128.524  1992.21    194.217  2293.32    171.430  127.381 6.2838  136.934 5.1595  -9.553329      8.130583 
1 1 1 -14 -27 14 o 94.508  3.6226  1087.78    83.072   1154.69    129.250  1040.68    108.436  96.974  5.5158  92.172  4.8658  4.802284       7.355299 
1 1 1 -14 -27 15 o 117.029 3.7851  1668.35    107.481  1666.72    163.867  1669.59    142.388  116.655 5.7893  116.892 5.0202  -0.2372513     7.662807 
1 1 1 -14 -27 16 o 192.213 6.9697  4542.74    325.060  4542.74    325.060  0.0000     0.0000   192.213 6.9697  ?       ?       0.000000       6.969738 
1 1 1 -14 -27 17 o 82.848  8.8686  859.547    175.510  859.547    175.510  0.0000     0.0000   82.848  8.8686  ?       ?       0.000000       8.868607 
1 1 1 -14 -27 18 o 168.617 9.5770  3544.76    390.210  3544.76    390.210  0.0000     0.0000   168.617 9.5770  ?       ?       0.000000       9.576971 
1 1 1 -14 -27 19 o 79.579  5.5446  778.247    106.393  738.486    169.576  804.059    136.629  76.618  9.3131  80.581  7.0590  -3.963615      11.68609 
1 1 1 -14 -27 20 o 21.388  7.3269  51.657     45.796   18.065     109.368  58.799     50.430   25.347  10.607  22.662  7.6890  2.684853       13.10075 
1 1 1 -14 -27 21 o 22.189  6.1778  62.087     34.487   181.954    114.879  50.215     36.155   37.885  11.494  20.417  6.4898  17.46834       13.19936 
1 1 1 -14 -27 22 o 70.434  3.6088  605.519    61.468   739.037    103.139  531.975    76.547   77.544  5.5176  65.842  4.8250  11.70286       7.329715 
1 1 1 -14 -27 23 o 154.054 4.1508  2892.55    155.154  3198.89    233.413  2650.03    207.677  161.614 5.9523  147.128 5.8174  14.48549       8.322948 
1 1 1 -14 -27 24 o 80.406  3.6194  787.156    70.614   930.696    115.750  702.067    89.119   87.058  5.5080  75.673  4.8797  11.38544       7.358612 
1 1 1 -14 -27 25 o 192.533 4.7164  4524.96    220.335  4853.25    327.185  4252.53    298.050  198.746 6.7847  186.102 6.6005  12.64357       9.465650 
1 1 1 -14 -27 26 o 116.906 3.8722  1665.15    109.840  1922.41    174.392  1495.98    141.414  125.296 5.7362  110.609 5.2691  14.68650       7.788964 
1 1 1 -14 -27 27 o 101.408 4.6215  1255.41    113.714  1351.03    151.911  1133.54    171.496  104.811 5.9983  95.612  7.4511  9.199150       9.565510 
1 1 1 -14 -27 28 o 134.641 7.6041  2244.67    247.404  0.0000     0.0000   2244.67    247.404  ?       ?       134.641 7.6041  0.000000       7.604060 
1 1 1 -14 -27 29 o 72.280  6.9985  649.402    121.203  0.0000     0.0000   649.402    121.203  ?       ?       72.280  6.9985  0.000000       6.998505 
1 1 1 -14 -27 30 o 15.140  7.0192  -51.5451   61.459   0.0000     0.0000   -51.5451   61.459   ?       ?       15.140  7.0192  0.000000       7.019182 
1 1 1 -14 -27 31 o 67.325  5.8625  560.652    94.813   516.022    168.161  581.453    114.801  62.924  11.435  68.293  7.0283  -5.368706      13.42238 
1 1 1 -14 -27 32 f 24.993  6.2602  79.880     37.882   130.491    61.525   48.976     48.077   31.806  7.9842  21.202  7.4915  10.60400       10.94846 
1 1 1 -14 -27 33 o 63.529  3.8466  494.324    59.015   518.679    92.329   477.500    76.737   64.666  5.9512  62.204  5.1300  2.461861       7.857029 
1 1 1 -14 -27 34 o 37.219  4.8566  172.546    42.814   125.099    69.359   201.755    54.420   31.158  8.7916  40.104  5.7577  -8.945869      10.50920 
1 1 1 -14 -27 35 o 29.987  5.4371  113.874    38.104   134.446    64.283   102.731    47.311   32.185  8.2064  28.237  6.9517  3.947472       10.75507 
1 1 1 -14 -27 36 o 67.015  3.7861  550.440    61.312   546.688    98.465   552.816    78.356   66.225  6.1999  66.941  4.8571  -0.7168427     7.875943 
1 1 1 -14 -27 37 o 74.565  4.5723  684.553    82.325   657.214    108.559  721.555    126.294  72.602  6.2226  75.856  6.9385  -3.253548      9.320069 
1 1 1 -14 -27 38 o 139.217 4.1547  2374.82    140.344  2301.17    213.644  2430.73    186.140  136.087 6.4701  140.340 5.4663  -4.253998      8.470102 
1 1 1 -14 -27 39 o 115.851 3.9017  1643.72    109.678  1747.93    170.729  1570.50    143.115  118.742 5.9257  112.822 5.2279  5.920189       7.902208 
1 1 1 -14 -27 40 o 52.958  4.0839  346.002    52.071   345.259    88.999   346.388    64.208   51.997  7.2515  52.751  5.0793  -0.7540398     8.853456 
1 1 1 -14 -27 41 o 95.366  3.8227  1114.87    88.457   1163.33    141.752  1083.97    113.202  96.480  6.0864  93.565  5.0044  2.914917       7.879590 
1 1 1 -14 -27 42 o 21.297  7.5883  50.615     49.427   163.077    84.926   -6.9917    60.782   34.872  9.6893  17.486  7.6220  17.38630       12.32791 
1 1 1 -14 -27 43 o 55.690  5.8967  390.671    78.469   337.442    123.746  426.468    101.480  49.779  10.572  57.617  7.4321  -7.837425      12.92277 
1 1 1 -14 -27 44 o 40.376  6.7314  210.146    63.625   290.297    105.491  164.320    79.767   46.398  9.6833  34.932  9.2607  11.46561       13.39877 
1 1 1 -14 -27 45 o 51.399  4.3014  327.854    53.152   418.554    92.744   283.493    64.861   57.233  6.8122  47.338  5.7660  9.895203       8.924809 
1 1 1 -14 -27 46 o 83.275  4.0624  853.841    82.084   791.680    140.048  886.369    101.309  78.547  7.4368  84.404  4.9687  -5.856544      8.943923 
1 1 1 -14 -27 47 o 37.961  5.5893  183.364    49.941   143.177    92.917   199.690    59.223   32.678  10.406  39.374  6.4203  -6.696133      12.22695 
1 1 1 -14 -27 48 o 26.392  6.7311  91.476     43.241   78.712     90.327   95.271     49.251   26.865  10.142  26.882  7.3430  -0.1656723E-01 12.52145 
1 1 1 -14 -27 49 o 50.170  6.4834  322.843    77.078   239.689    149.230  353.098    90.014   40.665  13.211  52.133  7.3174  -11.46791      15.10251 
1 1 1 -14 -27 50 o 52.953  6.2935  358.847    79.280   498.071    153.253  307.975    92.639   59.712  10.982  48.138  8.2267  11.57386       13.72178 
1 1 1 -14 -27 51 o 64.091  6.0209  522.873    92.534   493.960    174.079  534.260    109.246  57.899  12.737  64.199  7.1338  -6.299820      14.59890 
1 1 1 -14 -27 52 o 26.937  7.1467  96.842     47.481   54.197     98.091   109.892    54.261   25.260  10.252  28.576  7.6667  -3.315460      12.80145 
1 1 1 -14 -27 53 o 54.777  4.6967  377.099    61.821   446.125    119.684  351.981    72.198   57.254  8.9046  52.450  5.7683  4.803238       10.60966 
1 1 1 -14 -27 54 o 45.855  5.2178  267.895    57.021   385.137    114.955  229.634    65.670   52.663  9.3381  41.773  6.7058  10.88988       11.49647 
1 1 1 -14 -27 55 o 48.548  5.2173  300.683    60.495   276.497    118.965  309.119    70.257   42.981  11.269  48.828  6.0603  -5.847073      12.79530 
1 1 1 -14 -27 56 o 21.187  7.9611  49.902     55.511   -72.3814   133.986  75.241     60.992   21.876  10.216  24.202  8.4464  -2.325722      13.25587 
1 1 1 -14 -27 57 o 25.725  8.1537  90.261     57.102   17.585     140.909  104.540    62.460   25.624  11.369  27.439  8.5030  -1.815426      14.19728 
1 1 1 -14 -27 58 o 41.412  6.9478  230.409    67.341   219.294    158.438  232.860    74.395   36.657  13.513  41.183  7.7287  -4.526791      15.56684 
1 1 1 -14 -27 59 o 34.754  9.2852  175.442    79.789   -19.8096   173.575  227.753    89.844   26.077  11.984  39.560  9.4831  -13.48291      15.28228 
1 1 1 -14 -27 60 o 20.923  8.6236  33.458     70.754   95.316     166.439  19.814     78.168   30.069  12.854  20.668  8.8216  9.401096       15.59020 
1 1 1 -14 -27 61 o 61.089  5.5342  480.890    81.141   648.659    179.202  437.624    91.005   65.063  11.785  57.531  6.6413  7.532307       13.52764 
1 1 1 -14 -27 62 o 31.023  8.1047  135.201    61.679   200.152    162.032  124.194    66.700   35.418  13.533  29.572  8.7086  5.846066       16.09266 
1 1 1 -14 -27 63 o 34.344  10.779  179.547    100.021  64.889     338.273  190.532    104.702  33.949  15.975  35.202  11.026  -1.252136      19.41069 
1 1 1 -14 -27 64 o 18.579  8.6862  -59.1437   97.273   198.097    335.760  -82.7123   101.631  36.205  16.649  18.178  8.6143  18.02714       18.74567 
1 1 1 -14 -27 65 o 18.610  8.7765  -71.0289   103.123  -381.5741  251.475  -8.2511    113.067  22.766  11.347  21.952  9.9263  0.8143501      15.07628 
1 1 1 -14 -26 1  o 88.063  3.7758  948.593    80.680   958.210    119.602  940.562    109.292  87.899  5.6375  87.228  5.1872  0.6708755      7.660804 
1 1 1 -14 -26 2  o 31.119  5.1282  122.128    37.373   135.604    54.166   109.883    51.631   32.404  7.0864  29.127  7.3155  3.277330       10.18501 
1 1 1 -14 -26 3  o 81.610  3.7545  813.585    74.347   801.819    109.130  823.776    101.563  80.489  5.6232  81.718  5.1485  -1.229309      7.624102 
1 1 1 -14 -26 4  o 14.068  5.6095  12.531     28.817   4.9638     42.216   19.134     39.434   15.641  6.5703  16.635  6.5843  -0.9933977     9.301702 
1 1 1 -14 -26 5  o 93.515  3.8170  1067.38    86.609   1026.24    127.661  1102.45    117.890  91.160  5.8017  94.670  5.1516  -3.509750      7.758754 
1 1 1 -14 -26 6  f 101.569 4.4300  1261.04    109.177  1271.97    140.685  1244.49    173.107  101.597 5.7303  100.052 7.1783  1.545776       9.185024 
1 1 1 -14 -26 7  o 62.337  3.5923  475.162    54.105   466.955    88.020   480.146    68.594   61.368  5.9875  62.517  4.5532  -1.148880      7.522071 
1 1 1 -14 -26 8  o ?       ?       -185.0181  23.252   -228.5613  28.305   -94.6443   40.778   ?       ?       9.5338  4.7207  0.000000       4.720726 
1 1 1 -14 -26 9  o 98.557  3.5594  1183.11    85.119   1599.04    133.309  896.817    110.600  114.395 4.8027  85.431  5.3627  28.96343       7.198938 
1 1 1 -14 -26 10 o 45.850  3.9652  258.106    43.679   63.052     71.860   372.397    55.007   24.903  9.1123  55.111  4.1439  -30.20756      10.01030 
1 1 1 -14 -26 11 o 168.420 4.3283  3459.31    176.878  3656.71    263.560  3297.56    238.588  172.658 6.2911  164.043 5.9941  8.615280       8.689523 
1 1 1 -14 -26 12 o 175.171 4.4509  3742.49    189.179  3730.97    280.255  3752.14    256.410  174.342 6.6250  175.008 6.0383  -0.6663055     8.963911 
1 1 1 -14 -26 13 o 178.701 4.4676  3894.27    193.717  4096.57    286.695  3724.31    262.781  182.771 6.4647  174.340 6.2120  8.430496       8.965579 
1 1 1 -14 -26 14 o 100.149 3.6555  1220.91    88.829   1193.98    137.503  1240.20    116.370  98.628  5.7710  100.820 4.7570  -2.192284      7.478824 
1 1 1 -14 -26 15 o 49.561  6.5299  306.145    76.614   306.145    76.614   0.0000     0.0000   49.561  6.5299  ?       ?       0.000000       6.529922 
1 1 1 -14 -26 16 o 141.529 6.0829  2451.81    208.893  2451.81    208.893  0.0000     0.0000   141.529 6.0829  ?       ?       0.000000       6.082931 
1 1 1 -14 -26 17 o 141.763 6.1178  2459.86    210.438  2459.86    210.438  0.0000     0.0000   141.763 6.1178  ?       ?       0.000000       6.117806 
1 1 1 -14 -26 18 o 94.859  5.5222  1103.15    126.554  1226.14    197.540  1017.53    164.819  99.409  8.2646  90.672  7.5605  8.737679       11.20106 
1 1 1 -14 -26 19 o 157.408 6.0271  3031.52    230.195  3370.78    344.533  2757.96    309.385  165.039 8.6336  149.261 8.5787  15.77820       12.17097 
1 1 1 -14 -26 20 o 255.036 7.9820  8008.43    493.945  9160.35    715.006  6956.81    683.168  271.070 10.871  235.261 12.008  35.80898       16.19759 
1 1 1 -14 -26 21 o 152.562 5.9543  2847.14    220.415  3047.75    329.817  2685.24    296.297  156.888 8.6981  147.362 8.3207  9.525848       12.03704 
1 1 1 -14 -26 22 o 78.442  3.5912  748.759    68.353   901.618    112.188  658.518    86.199   85.744  5.4202  73.311  4.8736  12.43310       7.289099 
1 1 1 -14 -26 23 o 127.639 3.8341  1983.42    118.743  2445.16    182.569  1644.89    156.324  141.492 5.3178  116.016 5.5532  25.47645       7.688769 
1 1 1 -14 -26 24 o 136.446 3.9664  2267.25    131.319  2473.69    200.233  2111.45    173.953  142.217 5.8026  131.454 5.4537  10.76353       7.963221 
1 1 1 -14 -26 25 o 50.426  3.9191  311.503    47.576   343.672    84.635   296.642    57.524   52.504  6.8034  49.064  4.8974  3.439701       8.382762 
1 1 1 -14 -26 26 o 102.486 3.8167  1278.94    94.910   1464.79    152.020  1160.22    121.498  109.279 5.7535  97.333  5.1630  11.94660       7.730408 
1 1 1 -14 -26 27 o 164.514 8.5170  3353.42    338.817  0.0000     0.0000   3353.42    338.817  ?       ?       164.514 8.5170  0.000000       8.517023 
1 1 1 -14 -26 28 o 171.888 8.5600  3654.67    357.010  0.0000     0.0000   3654.67    357.010  ?       ?       171.888 8.5600  0.000000       8.559956 
1 1 1 -14 -26 29 o 160.058 8.2852  3175.50    320.666  0.0000     0.0000   3175.50    320.666  ?       ?       160.058 8.2852  0.000000       8.285183 
1 1 1 -14 -26 30 o 60.632  6.0637  455.152    88.012   313.764    169.400  507.428    103.006  48.790  13.730  63.907  6.7446  -15.11763      15.29721 
1 1 1 -14 -26 31 o 56.939  5.5754  400.811    76.040   698.240    123.884  221.017    96.319   75.011  6.8833  41.276  9.7690  33.73505       11.95046 
1 1 1 -14 -26 32 o ?       ?       -106.0259  22.293   -201.7766  39.955   -62.7409   26.864   ?       ?       7.7325  3.8293  0.000000       3.829280 
1 1 1 -14 -26 33 o 56.534  3.8400  391.551    52.363   401.473    85.104   385.507    66.424   56.797  6.2804  55.914  4.9471  0.8826828      7.994834 
1 1 1 -14 -26 34 o 92.315  3.6888  1039.29    82.627   1090.48    129.718  1004.34    107.185  94.055  5.7110  90.441  4.9026  3.614250       7.526732 
1 1 1 -14 -26 35 o 95.530  3.7462  1113.60    86.835   1096.54    136.061  1125.33    112.792  94.193  5.9843  95.720  4.8724  -1.527451      7.716997 
1 1 1 -14 -26 36 o 16.059  6.1018  22.667     32.826   8.6538     57.933   29.294     39.838   18.403  7.7118  17.873  6.7386  0.5293179      10.24110 
1 1 1 -14 -26 37 o 72.341  3.7271  640.840    65.198   690.524    105.480  610.121    82.940   74.601  5.8748  70.344  4.8897  4.256958       7.643405 
1 1 1 -14 -26 38 o 28.993  5.6493  107.111    38.314   -10.0940   66.369   165.694    46.923   18.211  7.9507  36.278  5.5034  -18.06644      9.669597 
1 1 1 -14 -26 39 o 86.249  3.7157  909.602    77.760   1048.95    124.698  820.933    99.469   91.998  5.6130  81.517  5.0538  10.48094       7.552987 
1 1 1 -14 -26 40 o 27.904  5.9991  100.096    39.410   83.971     67.277   108.521    48.627   26.347  8.8812  28.914  7.0049  -2.567272      11.31125 
1 1 1 -14 -26 41 o 90.655  3.7994  1006.61    83.574   1085.08    134.430  957.181    106.699  93.298  5.9696  87.955  5.0204  5.343163       7.800020 
1 1 1 -14 -26 42 o 24.134  6.2344  75.303     36.766   1.5433     67.321   106.652    43.889   19.011  8.1525  28.687  6.4607  -9.675331      10.40209 
1 1 1 -14 -26 43 o 30.906  7.4843  125.360    55.528   106.489    93.338   135.698    69.083   29.654  10.443  31.996  8.6787  -2.341534      13.57814 
1 1 1 -14 -26 44 o 32.563  7.4168  139.210    57.291   70.116     96.404   176.936    71.234   26.853  10.392  36.554  8.2297  -9.700867      13.25604 
1 1 1 -14 -26 45 o 24.955  6.7649  81.065     41.989   71.040     96.103   83.430     46.681   26.847  10.380  25.335  7.2349  1.512844       12.65241 
1 1 1 -14 -26 46 o 46.589  4.8628  271.426    54.160   305.108    103.713  258.796    63.507   47.729  9.2896  45.151  5.9411  2.578445       11.02691 
1 1 1 -14 -26 47 o 30.763  6.4066  123.045    46.267   198.634    92.405   97.755     53.449   38.131  9.9000  27.275  7.7253  10.85661       12.55751 
1 1 1 -14 -26 48 o 16.267  6.5718  16.341     40.111   28.592     85.363   12.870     45.440   22.779  9.4378  16.721  6.9034  6.057693       11.69310 
1 1 1 -14 -26 49 o 75.186  5.9467  713.169    107.601  523.450    190.758  801.702    130.311  59.786  13.473  79.263  6.8427  -19.47625      15.11064 
1 1 1 -14 -26 50 o 32.942  7.9633  145.289    62.947   -9.9240    129.600  193.210    72.011   24.712  10.937  38.045  8.0518  -13.33310      13.58144 
1 1 1 -14 -26 51 o 67.271  6.0766  575.099    98.116   526.759    179.445  595.714    117.185  60.077  12.707  67.854  7.2288  -7.776878      14.61921 
1 1 1 -14 -26 52 o 66.179  4.4414  545.877    70.906   401.869    130.431  606.289    84.480   53.620  10.400  69.498  5.0441  -15.87788      11.55901 
1 1 1 -14 -26 53 o 21.292  7.4162  54.547     47.010   254.386    101.637  0.1602     53.022   42.455  10.027  16.631  7.1842  25.82376       12.33470 
1 1 1 -14 -26 54 o 13.386  6.0290  -16.9396   41.232   35.369     92.677   -29.8482   46.039   23.435  9.7818  13.392  6.1611  10.04235       11.56038 
1 1 1 -14 -26 55 o 65.105  4.6006  532.447    72.210   496.658    137.090  546.189    84.949   59.455  9.8475  65.533  5.3902  -6.078114      11.22615 
1 1 1 -14 -26 56 o 47.665  6.1204  295.505    69.151   424.359    156.054  264.022    77.138   52.380  12.460  44.333  7.4342  8.047562       14.50909 
1 1 1 -14 -26 57 o 25.708  8.3570  89.347     59.708   147.261    141.859  76.879     65.823   32.454  12.593  24.557  8.7561  7.897429       15.33819 
1 1 1 -14 -26 58 o 59.469  5.5458  455.023    79.101   605.253    172.442  414.989    89.019   63.168  11.681  56.071  6.6742  7.097340       13.45323 
1 1 1 -14 -26 59 o 31.782  9.7826  147.060    82.832   345.420    174.682  89.521     94.081   44.575  14.275  26.823  10.297  17.75222       17.60127 
1 1 1 -14 -26 60 o 50.232  8.2568  348.549    97.139   349.247    193.501  348.314    112.317  43.935  15.061  49.059  9.7787  -5.124336      17.95677 
1 1 1 -14 -26 61 o 19.990  7.9686  35.987     58.138   -18.1842   317.039  37.872     59.141   32.269  15.269  20.257  8.0490  12.01151       17.26100 
1 1 1 -14 -26 62 o 64.514  5.6584  536.532    87.681   566.595    188.837  528.269    99.000   58.919  13.499  63.408  6.5280  -4.488956      14.99422 
1 1 1 -14 -26 63 o 25.732  10.495  67.993     103.438  -336.2008  259.087  144.634    112.819  24.353  12.029  31.452  11.431  -7.099159      16.59470 
1 1 1 -14 -26 64 o 23.398  10.063  31.660     103.121  266.047    283.598  -4.0528    110.699  38.077  16.532  22.205  9.9495  15.87251       19.29480 
1 1 1 -14 -26 65 o 15.944  7.7179  -116.9476  91.725   -263.6454  251.008  -94.3393   98.539   24.488  12.047  17.398  8.3118  7.089319       14.63611 
1 1 1 -14 -25 1  o 18.588  6.7740  35.342     39.653   8.6922     49.036   85.699     67.406   17.071  7.1195  26.667  8.8897  -9.595741      11.38922 
1 1 1 -14 -25 2  o 61.360  4.1839  462.415    61.919   442.976    103.768  473.163    77.162   59.292  7.3720  61.872  5.1877  -2.580036      9.014343 
1 1 1 -14 -25 3  o 102.186 3.8704  1274.55    95.965   1245.83    140.725  1299.51    131.206  100.490 5.7960  102.783 5.2788  -2.293205      7.839628 
1 1 1 -14 -25 4  o 39.083  5.1521  190.288    47.667   155.192    63.161   236.725    72.654   34.729  7.6977  43.215  7.1809  -8.486355      10.52706 
1 1 1 -14 -25 5  o 62.650  3.5051  479.677    53.069   443.595    85.405   502.372    67.732   59.817  5.9637  63.990  4.3889  -4.172817      7.404607 
1 1 1 -14 -25 6  o 25.153  5.0459  80.097     29.725   120.298    52.300   60.915     36.127   30.640  7.1631  22.037  6.3863  8.603104       9.596629 
1 1 1 -14 -25 7  o 104.237 3.6666  1323.41    92.736   1173.03    142.935  1432.74    121.868  97.619  6.0645  108.328 4.6364  -10.70921      7.633749 
1 1 1 -14 -25 8  o 96.727  3.6116  1139.19    84.763   1164.53    132.124  1121.46    110.499  97.392  5.6149  95.846  4.7514  1.545990       7.355496 
1 1 1 -14 -25 9  o 36.927  4.4358  168.639    38.950   200.658    65.652   151.248    48.385   39.841  7.0493  34.669  5.9669  5.171215       9.235646 
1 1 1 -14 -25 10 o 242.174 5.4292  7167.64    319.025  7453.73    464.801  6912.80    438.672  246.010 7.7866  236.987 7.6287  9.023819       10.90087 
1 1 1 -14 -25 11 o 54.920  3.7955  368.924    50.268   408.772    81.472   344.429    63.876   57.507  5.9235  52.886  5.0387  4.621693       7.776685 
1 1 1 -14 -25 12 o 107.742 3.6474  1412.68    95.352   1595.61    146.383  1277.86    125.670  114.313 5.2775  102.325 5.0616  11.98715       7.312445 
1 1 1 -14 -25 13 o 103.009 3.6711  1291.24    91.755   1309.12    141.100  1278.15    120.780  103.354 5.6478  102.368 4.8626  0.9861603      7.452689 
1 1 1 -14 -25 14 o 66.833  5.8455  550.063    93.840   550.063    93.840   0.0000     0.0000   66.833  5.8455  ?       ?       0.000000       5.845480 
1 1 1 -14 -25 15 o 85.499  5.7273  897.089    118.128  897.089    118.128  0.0000     0.0000   85.499  5.7273  ?       ?       0.000000       5.727289 
1 1 1 -14 -25 16 o 130.788 5.9279  2090.87    188.120  2090.87    188.120  0.0000     0.0000   130.788 5.9279  ?       ?       0.000000       5.927917 
1 1 1 -14 -25 17 o 89.840  3.6585  981.979    79.750   1062.62    124.013  925.112    104.140  93.129  5.5126  86.958  4.9562  6.170830       7.412993 
1 1 1 -14 -25 18 o 32.202  4.6635  128.970    35.377   110.511    68.873   135.586    41.232   29.746  8.8716  32.917  5.3459  -3.171068      10.35779 
1 1 1 -14 -25 19 o 44.484  6.4202  247.004    67.291   386.928    126.822  192.176    79.388   55.134  9.8410  38.753  8.6607  16.38135       13.10930 
1 1 1 -14 -25 20 o 49.043  6.0828  298.457    70.830   462.165    132.820  233.399    83.730   60.500  9.3492  42.839  8.3553  17.66145       12.53867 
1 1 1 -14 -25 21 o 38.734  6.8990  189.215    62.464   258.125    118.255  162.548    73.563   44.696  10.983  35.627  8.6063  9.068962       13.95298 
1 1 1 -14 -25 22 o 100.813 5.3884  1244.06    131.331  1591.53    209.355  1018.60    168.638  113.588 7.6404  90.739  7.7332  22.84886       10.87103 
1 1 1 -14 -25 23 o 125.916 3.8894  1929.75    118.830  1839.16    181.834  1997.27    156.991  122.635 6.1108  127.958 5.0564  -5.322441      7.931511 
1 1 1 -14 -25 24 o 80.645  3.6087  791.242    70.614   795.425    115.218  788.725    89.363   80.449  5.9446  80.315  4.6048  0.1341171      7.519486 
1 1 1 -14 -25 25 o 71.048  3.6883  615.877    63.365   651.250    106.835  596.682    78.702   72.717  6.1116  69.808  4.6734  2.909454       7.693679 
1 1 1 -14 -25 26 o 91.861  6.8994  1040.37    152.659  0.0000     0.0000   1040.37    152.659  ?       ?       91.861  6.8994  0.000000       6.899414 
1 1 1 -14 -25 27 o 101.248 4.9085  1250.62    120.587  0.0000     0.0000   1250.62    120.587  ?       ?       101.248 4.9085  0.000000       4.908494 
1 1 1 -14 -25 28 o 56.551  4.9814  393.254    67.655   0.0000     0.0000   393.254    67.655   ?       ?       56.551  4.9814  0.000000       4.981430 
1 1 1 -14 -25 29 o 237.911 7.7778  6970.34    448.987  7081.83    663.731  6876.29    609.639  237.718 11.507  234.749 10.703  2.969299       15.71521 
1 1 1 -14 -25 30 o 28.284  8.0600  101.170    57.999   92.431     93.723   106.593    73.834   29.240  10.446  29.447  9.2645  -0.2075043     13.96244 
1 1 1 -14 -25 31 o 96.802  5.2698  1148.87    123.312  1234.99    196.510  1092.94    158.375  99.656  8.1995  94.033  6.9913  5.622490       10.77547 
1 1 1 -14 -25 32 o 114.365 5.4814  1600.83    152.107  1511.31    239.055  1661.72    197.169  109.952 9.0406  115.987 7.0393  -6.034821      11.45789 
1 1 1 -14 -25 33 o 33.721  5.0910  142.129    40.358   210.555    66.698   102.606    50.690   40.797  6.9893  28.315  7.3232  12.48127       10.12323 
1 1 1 -14 -25 34 o 52.083  4.0038  332.823    50.210   249.763    81.874   382.890    63.567   44.273  7.9119  55.767  4.7428  -11.49389      9.224561 
1 1 1 -14 -25 35 o 45.586  4.1853  255.853    45.777   257.392    76.809   255.005    57.008   45.084  7.2686  45.314  5.2841  -0.2307701     8.986341 
1 1 1 -14 -25 36 o 98.662  3.7605  1187.74    90.024   1169.64    140.337  1200.39    117.352  97.311  5.9724  98.992  4.8857  -1.681206      7.716187 
1 1 1 -14 -25 37 o 58.880  3.9760  425.432    56.471   455.094    92.288   407.678    71.398   60.383  6.3963  57.403  5.1820  2.980312       8.231961 
1 1 1 -14 -25 38 o 25.362  6.0021  82.511     36.361   91.385     64.529   78.383     44.014   27.152  8.6743  24.789  7.0066  2.362749       11.15062 
1 1 1 -14 -25 39 o 31.986  5.3777  129.288    40.256   45.588     68.980   172.516    49.573   22.820  8.8019  36.984  5.7078  -14.16494      10.49058 
1 1 1 -14 -25 40 o 82.795  3.7782  838.451    75.901   851.602    122.701  830.299    96.602   82.674  6.1609  82.032  4.8752  0.6421967      7.856482 
1 1 1 -14 -25 41 o 61.136  3.9486  459.676    58.261   376.799    96.767   506.800    72.968   54.319  7.5458  64.023  4.7307  -9.704056      8.906101 
1 1 1 -14 -25 42 o 79.936  3.8054  782.703    73.809   944.264    119.402  682.789    93.898   87.116  5.6797  74.165  5.2519  12.95176       7.735738 
1 1 1 -14 -25 43 o 49.208  6.0931  305.729    71.194   334.332    114.422  287.661    90.943   50.099  9.7636  46.958  8.2846  3.141483       12.80479 
1 1 1 -14 -25 44 o 48.817  6.3953  302.628    73.931   210.075    119.208  360.478    94.246   39.146  11.671  52.915  7.5548  -13.76871      13.90263 
1 1 1 -14 -25 45 o 28.157  8.0013  103.915    57.239   186.352    100.444  64.270     69.657   37.004  10.627  24.346  8.9620  12.65808       13.90142 
1 1 1 -14 -25 46 o 50.833  4.4281  320.880    54.071   306.714    91.324   328.526    67.096   48.450  8.0508  51.129  5.4945  -2.678761      9.747061 
1 1 1 -14 -25 47 o 61.298  4.3774  465.559    64.678   673.222    118.632  377.723    77.154   72.788  6.7956  54.698  5.9071  18.09029       9.004100 
1 1 1 -14 -25 48 o 29.995  6.5595  117.375    46.411   39.902     93.184   142.933    53.522   24.328  9.9465  33.074  6.8928  -8.745979      12.10139 
1 1 1 -14 -25 49 o 36.091  8.3650  174.260    71.824   332.590    175.355  142.343    78.731   47.307  14.167  32.492  9.4311  14.81515       17.01869 
1 1 1 -14 -25 50 o 17.901  7.3707  16.390     51.624   38.114     113.141  10.678     58.016   25.803  10.792  18.285  7.6927  7.518118       13.25348 
1 1 1 -14 -25 51 f 37.979  7.6721  191.343    68.266   34.423     138.117  242.070    78.529   27.423  11.716  42.756  7.8591  -15.33311      14.10793 
1 1 1 -14 -25 52 o 43.034  5.3430  235.026    54.590   227.510    108.535  237.571    63.161   39.994  10.891  42.936  6.2458  -2.941647      12.55451 
1 1 1 -14 -25 53 o 41.656  5.5341  221.659    54.552   257.924    110.135  209.869    62.796   42.494  10.691  40.065  6.6959  2.429520       12.61464 
1 1 1 -14 -25 54 o 52.600  4.8453  348.570    61.145   267.161    119.659  377.338    71.133   42.674  11.356  54.483  5.4540  -11.80862      12.59826 
1 1 1 -14 -25 55 o 55.545  5.3054  392.133    70.634   479.812    183.941  376.967    76.500   55.052  13.797  54.156  5.9180  0.8955498      15.01302 
1 1 1 -14 -25 56 o 28.081  7.8516  107.863    55.582   85.824     109.084  115.591    64.597   27.675  10.952  28.921  8.5841  -1.245434      13.91521 
1 1 1 -14 -25 57 o 41.976  6.7941  233.959    66.835   184.728    152.073  245.745    74.406   35.070  13.177  42.684  7.4555  -7.614731      15.13983 
1 1 1 -14 -25 58 o 16.550  7.1525  2.2175     52.606   124.263    138.456  -18.3734   56.871   30.943  12.309  15.747  7.0875  15.19627       14.20374 
1 1 1 -14 -25 59 o 63.089  7.4065  533.081    111.221  704.675    207.286  463.707    131.800  66.353  13.338  56.775  9.9290  9.578323       16.62756 
1 1 1 -14 -25 60 o 21.832  8.8500  41.572     73.007   89.123     169.267  30.704     80.921   30.174  12.933  21.736  9.1118  8.438015       15.82043 
1 1 1 -14 -25 61 o 17.572  7.4258  12.280     54.450   -38.0345   150.010  19.915     58.435   24.166  11.119  18.674  7.7786  5.491913       13.56956 
1 1 1 -14 -25 62 o 48.950  6.9092  318.732    79.781   412.110    168.039  291.558    90.650   50.001  13.524  45.815  8.4663  4.185219       15.95562 
1 1 1 -14 -25 63 o 34.330  11.454  179.515    111.888  170.106    289.671  181.165    121.302  36.038  16.125  34.371  11.916  1.667294       20.05023 
1 1 1 -14 -25 64 f 36.714  11.773  212.966    118.787  275.446    275.268  198.669    131.679  38.683  16.534  35.323  12.406  3.359974       20.67065 
1 1 1 -14 -25 65 o 29.837  11.179  128.989    109.291  252.070    302.811  110.554    117.190  37.138  16.561  28.746  11.359  8.392479       20.08249 
1 1 1 -14 -24 1  o 20.816  6.8417  51.463     39.978   70.015     51.389   23.022     63.628   24.019  7.7480  20.367  8.2598  3.652912       11.32504 
1 1 1 -14 -24 2  o 34.013  4.9801  144.557    39.883   101.299    65.799   169.680    50.145   28.433  8.7135  36.735  5.8197  -8.302116      10.47829 
1 1 1 -14 -24 3  o 66.831  4.5809  548.218    73.836   483.539    115.494  592.925    96.022   62.029  7.8494  69.290  5.7636  -7.261364      9.738143 
1 1 1 -14 -24 4  o 42.710  3.8241  224.064    39.210   225.085    66.368   223.517    48.599   42.285  6.6913  42.507  4.7957  -0.2224236     8.232407 
1 1 1 -14 -24 5  o 80.006  3.4662  779.219    67.288   860.002    106.505  725.555    86.806   83.701  5.2710  76.956  4.6710  6.745964       7.042846 
1 1 1 -14 -24 6  o 148.514 4.0722  2687.68    146.743  2849.97    220.798  2559.29    196.392  152.550 5.9651  144.642 5.5958  7.907516       8.178983 
1 1 1 -14 -24 7  o 136.167 3.9891  2258.40    131.798  2086.73    198.730  2393.19    176.096  130.509 6.2756  139.981 5.1846  -9.471863      8.140251 
1 1 1 -14 -24 8  o 35.966  4.3441  159.901    37.142   155.732    61.433   162.303    46.630   34.949  7.4708  36.042  5.5068  -1.093063      9.281040 
1 1 1 -14 -24 9  o 16.454  5.9564  27.371     30.586   42.241     53.763   20.255     37.190   21.117  7.8542  16.495  6.4348  4.621553       10.15359 
1 1 1 -14 -24 10 o 141.261 4.0260  2429.47    137.995  2395.72    207.422  2456.27    184.834  139.955 6.1081  141.843 5.3704  -1.887772      8.133258 
1 1 1 -14 -24 11 o 61.344  3.6789  459.473    54.506   460.210    88.465   459.021    69.202   61.061  6.0505  61.190  4.6967  -0.1287231     7.659526 
1 1 1 -14 -24 12 o 106.672 3.7206  1384.43    96.300   1259.42    147.760  1476.74    126.968  101.330 6.0371  110.071 4.7540  -8.740990      7.684206 
1 1 1 -14 -24 13 o 84.666  5.7569  879.464    117.564  879.464    117.564  0.0000     0.0000   84.666  5.7569  ?       ?       0.000000       5.756899 
1 1 1 -14 -24 14 o 117.546 5.7750  1687.40    164.710  1687.40    164.710  0.0000     0.0000   117.546 5.7750  ?       ?       0.000000       5.774968 
1 1 1 -14 -24 15 o 79.130  5.7004  768.375    108.715  768.375    108.715  0.0000     0.0000   79.130  5.7004  ?       ?       0.000000       5.700369 
1 1 1 -14 -24 16 o 86.127  3.6523  902.280    76.325   959.313    119.385  862.854    99.260   88.482  5.5895  83.998  4.8913  4.483376       7.427462 
1 1 1 -14 -24 17 o 214.073 4.9464  5586.03    256.930  6119.06    376.274  5120.42    351.679  223.547 6.9370  204.452 7.0891  19.09535       9.918528 
1 1 1 -14 -24 18 o 101.555 3.6372  1254.42    89.625   1325.90    140.227  1205.05    116.534  104.085 5.5726  99.441  4.8297  4.644493       7.374279 
1 1 1 -14 -24 19 o 56.038  3.6890  383.612    49.879   276.206    85.319   439.381    61.480   46.841  7.7798  59.927  4.2558  -13.08584      8.867760 
1 1 1 -14 -24 20 o 114.908 5.3719  1610.76    149.776  1740.06    230.250  1515.90    197.200  118.765 8.0373  110.968 7.3658  7.796829       10.90198 
1 1 1 -14 -24 21 o 228.424 7.3794  6396.59    409.003  7230.62    593.958  5644.47    564.036  241.755 10.126  212.989 10.951  28.76529       14.91484 
1 1 1 -14 -24 22 o 82.251  5.3423  828.711    106.041  987.794    175.232  736.794    133.199  89.297  8.1783  77.220  7.1917  12.07682       10.89062 
1 1 1 -14 -24 23 o 76.960  4.0544  722.863    75.444   728.481    162.583  721.321    85.169   76.399  8.9395  76.814  4.5906  -0.4149323     10.04932 
1 1 1 -14 -24 24 o 118.634 3.8147  1712.38    109.807  1739.16    169.167  1692.88    144.350  119.327 5.8427  117.829 5.0489  1.498009       7.721958 
1 1 1 -14 -24 25 o 59.627  4.6986  435.907    67.428   0.0000     0.0000   435.907    67.428   ?       ?       59.627  4.6986  0.000000       4.698604 
1 1 1 -14 -24 26 o 101.340 7.0236  1264.42    171.640  0.0000     0.0000   1264.42    171.640  ?       ?       101.340 7.0236  0.000000       7.023594 
1 1 1 -14 -24 27 o 51.091  5.3408  321.997    65.230   0.0000     0.0000   321.997    65.230   ?       ?       51.091  5.3408  0.000000       5.340797 
1 1 1 -14 -24 28 o 141.902 4.1583  2452.12    143.175  2595.69    220.227  2347.02    188.430  145.658 6.2312  138.616 5.6024  7.041473       8.379434 
1 1 1 -14 -24 29 o 22.945  7.7875  60.073     51.731   82.665     88.784   48.461     63.652   28.103  10.152  22.798  8.5330  5.305031       13.26189 
1 1 1 -14 -24 30 o 27.536  7.6450  96.022     52.892   271.084    95.714   19.065     63.461   46.101  8.8787  20.137  8.2177  25.96481       12.09799 
1 1 1 -14 -24 31 o 130.618 5.6814  2086.46    180.063  1969.00    279.536  2169.76    235.407  125.757 9.2254  132.652 7.3424  -6.895721      11.79058 
1 1 1 -14 -24 32 o 140.686 5.7735  2422.41    197.085  2629.48    304.646  2273.36    258.457  145.540 8.6661  135.558 7.8919  9.981293       11.72103 
1 1 1 -14 -24 33 o 105.788 3.7390  1363.11    95.974   1767.03    148.940  1076.30    125.506  120.241 5.1050  93.620  5.5498  26.62106       7.540610 
1 1 1 -14 -24 34 o 26.641  5.9807  90.452     37.713   69.819     64.018   101.419    46.671   24.927  8.6560  28.155  6.8882  -3.228786      11.06223 
1 1 1 -14 -24 35 o 64.739  3.8646  512.823    60.429   398.481    96.174   587.411    77.677   56.390  7.1928  69.178  4.6547  -12.78768      8.567518 
1 1 1 -14 -24 36 o 29.409  5.4992  109.439    37.798   60.070     65.772   133.783    46.187   24.017  8.7285  32.478  6.0844  -8.461147      10.63986 
1 1 1 -14 -24 37 o 22.030  6.2741  61.314     35.154   121.824    62.312   33.063     42.577   30.735  8.2026  18.693  6.9823  12.04245       10.77198 
1 1 1 -14 -24 38 o 69.278  3.7524  587.593    62.842   814.718    102.239  449.680    79.669   81.299  5.2103  60.235  5.5121  21.06346       7.584889 
1 1 1 -14 -24 39 o 32.518  5.3747  133.384    40.926   53.440     70.112   174.702    50.405   23.670  8.9358  37.232  5.7658  -13.56222      10.63452 
1 1 1 -14 -24 40 o 52.142  4.1515  334.913    52.088   333.009    86.522   335.995    65.234   51.246  7.1534  51.995  5.2422  -0.7492905     8.868585 
1 1 1 -14 -24 41 o 81.033  3.7983  803.300    74.683   765.962    120.259  826.740    95.283   78.296  6.3858  81.864  4.8181  -3.568802      7.999538 
1 1 1 -14 -24 42 o 85.121  3.8352  887.160    79.211   932.659    127.893  858.845    100.892  86.460  6.1362  83.339  5.0127  3.121078       7.923369 
1 1 1 -14 -24 43 o 37.758  7.2185  184.453    63.723   139.510    101.138  214.040    82.060   32.972  10.884  40.301  8.6505  -7.328724      13.90318 
1 1 1 -14 -24 44 o 129.760 5.9050  2094.22    185.919  2041.69    276.215  2137.73    251.393  125.736 9.1156  129.538 8.0378  -3.802734      12.15321 
1 1 1 -14 -24 45 o 34.340  7.4101  154.276    59.932   107.406    99.623   180.859    75.026   30.026  10.765  36.915  8.5451  -6.888540      13.74436 
1 1 1 -14 -24 46 o 14.859  6.0517  11.638     34.327   -62.4838   65.083   40.205     40.404   15.004  7.0433  19.160  6.8572  -4.156458      9.830061 
1 1 1 -14 -24 47 o 32.329  6.1956  134.816    46.831   56.331     86.920   166.918    55.590   25.034  9.8175  35.935  6.6194  -10.90130      11.84062 
1 1 1 -14 -24 48 o 75.073  4.1940  696.090    76.092   605.876    132.002  740.986    93.121   68.377  8.1146  77.181  4.9993  -8.804413      9.531029 
1 1 1 -14 -24 49 o 28.193  7.0663  104.497    48.244   126.678    92.436   96.193     56.558   31.200  10.411  27.111  8.0289  4.089699       13.14704 
1 1 1 -14 -24 50 o 38.900  7.5110  198.907    68.328   181.093    136.958  204.810    78.840   36.530  12.662  39.101  8.5482  -2.571667      15.27749 
1 1 1 -14 -24 51 f 44.172  7.0516  253.652    73.038   217.469    145.438  265.854    84.461   39.079  13.059  44.813  8.0641  -5.734570      15.34777 
1 1 1 -14 -24 52 o 94.273  4.2087  1098.80    96.273   1112.17    164.215  1091.79    118.837  92.842  7.3497  93.343  5.2685  -0.5015335     9.042956 
1 1 1 -14 -24 53 o 97.132  4.2461  1168.68    100.073  1326.68    172.175  1088.06    122.978  101.482 7.0357  92.946  5.4772  8.536903       8.916298 
1 1 1 -14 -24 54 o 26.048  7.3898  90.542     48.866   213.319    102.968  54.852     55.516   38.564  10.652  21.950  8.0127  16.61374       13.32919 
1 1 1 -14 -24 55 o 81.984  4.4029  839.042    87.265   914.938    155.225  803.971    105.518  83.229  7.7765  79.628  5.4949  3.600578       9.521977 
1 1 1 -14 -24 56 o 84.909  4.4152  901.605    90.651   1075.40    164.991  826.453    108.494  90.196  7.6100  80.566  5.5844  9.629974       9.439132 
1 1 1 -14 -24 57 o 18.869  7.7265  24.110     56.338   34.594     139.781  22.077     61.560   26.590  11.575  19.294  8.0059  7.295843       14.07414 
1 1 1 -14 -24 58 o 44.702  6.5715  263.605    69.150   409.631    157.597  228.788    76.954   50.900  12.779  40.793  8.0604  10.10705       15.10887 
1 1 1 -14 -24 59 o 21.922  10.417  -114.4285  150.592  -114.4285  150.592  0.0000     0.0000   21.922  10.417  ?       ?       0.000000       10.41713 
1 1 1 -14 -24 60 o 50.931  8.3765  357.334    99.918   462.301    197.066  321.012    115.923  51.548  14.909  46.672  10.492  4.876690       18.23041 
1 1 1 -14 -24 61 f 29.304  8.5408  120.179    64.451   -0.4395    143.334  150.748    72.157   25.155  11.293  32.595  8.8816  -7.439613      14.36707 
1 1 1 -14 -24 62 o 38.415  7.7288  201.952    69.546   207.187    157.561  200.686    77.504   36.329  13.459  37.792  8.6402  -1.462936      15.99371 
1 1 1 -14 -24 63 o 41.523  11.347  264.296    117.572  274.657    299.052  262.401    127.868  39.535  17.070  40.833  12.067  -1.298576      20.90461 
1 1 1 -14 -24 64 o 36.304  11.849  206.994    119.979  283.029    278.932  189.732    132.902  39.200  16.696  34.793  12.438  4.407768       20.82014 
1 1 1 -14 -24 65 o 48.512  10.843  359.510    124.420  222.470    321.615  383.629    134.925  36.700  16.654  49.558  11.451  -12.85762      20.21082 
1 1 1 -14 -23 1  o 86.938  4.7096  926.491    98.978   876.613    152.148  963.086    130.324  83.877  7.5570  88.337  6.1179  -4.459663      9.722960 
1 1 1 -14 -23 2  o ?       ?       -87.8759   8.3918   -144.4081  18.132   -72.4654   9.4668   ?       ?       ?       ?       0.000000       ?        
1 1 1 -14 -23 3  f 148.933 5.6657  2715.25    204.744  2700.10    304.485  2727.74    276.619  147.449 8.5473  148.526 7.7021  -1.076935      11.50559 
1 1 1 -14 -23 4  o 132.233 5.3310  2136.95    171.044  2226.44    256.267  2065.06    229.694  134.165 7.9070  129.366 7.3479  4.799561       10.79408 
1 1 1 -14 -23 5  o 59.703  3.5241  435.244    50.825   354.589    81.998   485.564    64.767   53.417  6.4575  62.983  4.2631  -9.565765      7.737791 
1 1 1 -14 -23 6  o 66.298  3.5213  536.258    56.443   422.319    89.920   610.339    72.506   58.377  6.4563  70.657  4.2490  -12.27926      7.728964 
1 1 1 -14 -23 7  o 72.681  3.5298  642.604    62.249   671.569    98.692   623.468    80.219   73.951  5.5404  71.369  4.6579  2.582321       7.238226 
1 1 1 -14 -23 8  o 28.745  5.0619  103.720    34.016   -28.3946   56.835   177.457    42.461   15.724  7.0804  37.868  4.7239  -22.14427      8.511621 
1 1 1 -14 -23 9  o 314.681 6.7292  12123.15   513.804  11829.84   739.711  12396.59   714.216  309.254 9.8579  316.917 9.2880  -7.662933      13.54413 
1 1 1 -14 -23 10 o 92.911  3.6295  1049.99    81.822   1030.44    127.028  1063.85    106.969  91.689  5.7386  93.319  4.7397  -1.629486      7.442904 
1 1 1 -14 -23 11 o 39.356  4.4956  191.065    42.160   154.012    69.429   212.709    53.063   34.716  8.3454  41.411  5.4102  -6.695759      9.945669 
1 1 1 -14 -23 12 o 118.635 5.7721  1718.15    166.154  1718.15    166.154  0.0000     0.0000   118.635 5.7721  ?       ?       0.000000       5.772104 
1 1 1 -14 -23 13 o 80.382  5.6979  792.471    110.413  792.471    110.413  0.0000     0.0000   80.382  5.6979  ?       ?       0.000000       5.697935 
1 1 1 -14 -23 14 o 103.120 5.6604  1301.44    141.087  1301.44    141.087  0.0000     0.0000   103.120 5.6604  ?       ?       0.000000       5.660368 
1 1 1 -14 -23 15 o 132.685 3.9401  2141.88    126.852  2080.36    190.854  2190.56    169.782  130.522 6.0263  134.044 5.2201  -3.521362      7.972845 
1 1 1 -14 -23 16 o 103.999 3.6201  1315.27    91.351   1466.85    142.262  1208.90    119.165  109.678 5.3457  99.606  4.9306  10.07160       7.272385 
1 1 1 -14 -23 17 o 162.412 4.2280  3210.34    166.618  3524.40    248.503  2953.84    224.576  169.892 6.0283  155.546 5.9503  14.34586       8.470325 
1 1 1 -14 -23 18 o 179.376 4.4801  3917.51    194.992  4125.88    288.491  3742.24    264.579  183.730 6.4712  175.027 6.2300  8.702942       8.982748 
1 1 1 -14 -23 19 o 185.658 4.5850  4197.39    206.544  4307.89    304.447  4103.17    281.139  187.692 6.6850  183.255 6.3227  4.437897       9.201395 
1 1 1 -14 -23 20 o 164.312 6.0926  3297.10    242.905  3637.40    359.805  3012.13    329.262  171.799 8.6593  156.281 8.7178  15.51839       12.28748 
1 1 1 -14 -23 21 o 113.745 5.3948  1577.81    148.892  1713.23    229.474  1479.34    195.673  117.883 8.0712  109.647 7.3980  8.235443       10.94878 
1 1 1 -14 -23 22 o 129.211 5.5387  2036.68    173.650  2273.28    262.543  1852.68    231.528  135.879 7.9984  122.662 7.8198  13.21674       11.18592 
1 1 1 -14 -23 23 o 103.877 5.3340  1319.26    133.988  1463.51    207.708  1216.45    175.350  108.938 7.9120  99.389  7.3227  9.548523       10.78064 
1 1 1 -14 -23 24 o 82.867  4.6174  838.937    92.473   0.0000     0.0000   838.937    92.473   ?       ?       82.867  4.6174  0.000000       4.617376 
1 1 1 -14 -23 25 o 112.315 4.9232  1537.35    134.169  0.0000     0.0000   1537.35    134.169  ?       ?       112.315 4.9232  0.000000       4.923203 
1 1 1 -14 -23 26 o 34.830  5.7428  151.945    46.842   0.0000     0.0000   151.945    46.842   ?       ?       34.830  5.7428  0.000000       5.742793 
1 1 1 -14 -23 27 o 77.043  3.8417  722.177    71.815   700.151    124.346  733.202    87.969   75.316  6.8802  77.432  4.7044  -2.116165      8.334805 
1 1 1 -14 -23 28 o 305.048 6.5812  11387.36   487.120  11261.58   701.909  11504.22   676.572  301.908 9.5817  305.397 9.1303  -3.488892      13.23524 
1 1 1 -14 -23 29 o 25.807  6.1837  84.689     38.214   42.115     63.869   108.430    47.693   22.232  8.4958  29.177  6.8535  -6.944996      10.91552 
1 1 1 -14 -23 30 o 72.971  5.2552  653.160    92.423   817.525    153.305  559.311    115.842  81.179  7.8824  67.146  7.2238  14.03229       10.69188 
1 1 1 -14 -23 31 o 64.874  5.5540  517.847    86.582   457.319    142.938  552.927    108.817  59.917  10.197  66.824  6.8062  -6.907318      12.25985 
1 1 1 -14 -23 32 o 59.329  5.6101  434.019    79.802   310.909    135.980  498.695    98.560   48.892  11.631  63.472  6.4909  -14.57998      13.31995 
1 1 1 -14 -23 33 o 137.346 4.0242  2298.13    134.110  2602.96    202.796  2061.21    178.786  145.860 5.7301  129.807 5.6764  16.05301       8.065660 
1 1 1 -14 -23 34 o 147.165 4.1674  2640.29    148.812  2745.83    223.957  2556.84    199.128  149.648 6.1678  144.522 5.6785  5.125793       8.383743 
1 1 1 -14 -23 35 o ?       ?       -109.2915  27.132   -156.4650  50.156   -89.7761   32.260   9.4858  4.7749  7.9559  3.9805  1.529900       6.216408 
1 1 1 -14 -23 36 o 86.702  3.7169  916.246    78.193   912.832    123.336  918.541    101.111  86.033  5.9448  86.540  4.8345  -0.5074234     7.662428 
1 1 1 -14 -23 37 o 18.000  6.4592  33.906     35.872   34.776     60.383   33.432     44.594   21.032  8.2008  18.999  7.1361  2.033766       10.87095 
1 1 1 -14 -23 38 o 115.296 3.9037  1622.81    109.208  1688.34    169.183  1575.99    142.988  116.967 5.9811  113.349 5.1990  3.618080       7.924856 
1 1 1 -14 -23 39 f 44.434  5.4490  246.222    57.518   193.574    79.002   305.610    83.906   38.579  8.6529  49.119  7.2587  -10.54068      11.29432 
1 1 1 -14 -23 40 o 58.201  4.0325  416.213    56.597   338.123    94.555   459.809    70.650   51.489  7.8139  61.030  4.8099  -9.541248      9.175623 
1 1 1 -14 -23 41 o 36.590  4.9123  167.376    42.511   176.502    72.208   162.536    52.590   36.776  8.2903  35.723  6.2974  1.052582       10.41085 
1 1 1 -14 -23 42 f 118.320 4.0345  1714.84    115.829  1712.20    179.264  1716.74    151.762  117.255 6.3242  117.975 5.3016  -0.7199173     8.252429 
1 1 1 -14 -23 43 o 136.109 5.0100  2283.79    165.459  2358.93    212.639  2168.47    263.422  137.660 6.3661  130.563 8.3590  7.097137       10.50711 
1 1 1 -14 -23 44 o 52.431  6.1907  346.647    77.238   206.381    120.466  444.561    100.649  39.007  11.756  59.112  7.1635  -20.10577      13.76628 
1 1 1 -14 -23 45 o 23.840  7.9366  69.303     53.734   130.275    91.337   37.031     66.450   31.757  10.337  21.641  8.5531  10.11519       13.41654 
1 1 1 -14 -23 46 o 50.734  4.3536  319.040    53.074   354.882    91.621   300.939    65.111   52.545  7.3905  48.927  5.5846  3.617767       9.263177 
1 1 1 -14 -23 47 o 72.011  4.2097  640.091    73.235   613.556    124.513  654.125    90.555   69.211  7.5362  72.482  5.1831  -3.270668      9.146544 
1 1 1 -14 -23 48 o 10.052  4.8660  -58.5764   36.479   -112.3819  77.166   -43.0916   41.397   14.824  7.1515  11.862  5.5837  2.962827       9.073177 
1 1 1 -14 -23 49 o 8.2851  4.1236  -81.8612   32.722   -232.8648  79.302   -50.8749   35.923   12.039  6.0527  10.310  4.9502  1.728714       7.819197 
1 1 1 -14 -23 50 o 58.621  6.1813  435.566    86.595   406.635    163.395  446.866    102.116  53.163  12.816  58.901  7.3015  -5.738003      14.75042 
1 1 1 -14 -23 51 o 70.146  6.0031  621.722    101.191  484.808    187.349  678.116    120.238  57.334  13.661  72.834  6.8853  -15.50042      15.29848 
1 1 1 -14 -23 52 o 34.482  6.3632  154.494    51.277   159.979    99.341   152.502    59.869   34.098  10.749  33.887  7.4813  0.2110558      13.09619 
1 1 1 -14 -23 53 o 48.174  5.0919  292.684    58.617   296.396    113.888  291.347    68.368   45.935  10.453  47.703  6.0422  -1.767723      12.07386 
1 1 1 -14 -23 54 o 46.224  5.3277  271.306    58.661   245.196    114.532  280.590    68.300   41.165  11.178  46.670  6.1837  -5.504635      12.77466 
1 1 1 -14 -23 55 o 42.823  5.5990  234.995    56.784   338.597    110.744  198.042    66.140   49.331  9.5975  38.537  7.3414  10.79374       12.08339 
1 1 1 -14 -23 56 o 79.372  4.4234  787.587    84.852   871.675    151.123  748.872    102.541  81.106  7.7744  76.750  5.5436  4.356323       9.548475 
1 1 1 -14 -23 57 o 48.441  6.0734  304.268    69.815   310.264    147.349  302.532    79.279   44.350  12.911  47.788  7.0488  -3.438480      14.70942 
1 1 1 -14 -23 58 o 21.576  9.2879  15.872     87.997   -89.5656   128.249  109.671    120.964  20.862  9.8229  29.638  11.593  -8.776190      15.19509 
1 1 1 -14 -23 59 o 38.248  13.885  236.642    166.360  236.642    166.360  0.0000     0.0000   38.248  13.885  ?       ?       0.000000       13.88455 
1 1 1 -14 -23 60 o 42.277  9.0117  252.037    89.617   344.447    170.840  216.956    105.262  45.279  14.068  38.063  10.862  7.216187       17.77338 
1 1 1 -14 -23 61 o 14.922  6.9265  -41.9674   60.110   190.147    134.034  -100.4050  67.253   35.338  12.506  13.536  6.5659  21.80194       14.12491 
1 1 1 -14 -23 62 o 24.336  8.5289  75.930     62.220   -154.1865  144.355  128.436    68.954   20.424  9.8354  30.224  8.8414  -9.800007      13.22519 
1 1 1 -14 -23 63 o 22.391  9.9531  -2.0519    108.464  -83.0883   259.321  15.131     119.411  29.135  13.793  24.094  10.588  5.040829       17.38853 
1 1 1 -14 -23 64 f 28.829  11.342  105.356    116.361  301.489    295.146  69.260     126.617  40.040  17.117  27.143  11.389  12.89692       20.55992 
1 1 1 -14 -23 65 o 56.332  9.9445  464.426    130.956  523.708    331.595  453.471    142.543  45.979  18.777  54.449  11.164  -8.469997      21.84489 
1 1 1 -14 -22 1  o 126.513 3.8150  1949.77    117.111  2051.66    179.825  1874.73    154.324  129.447 5.7252  123.850 5.1354  5.596832       7.690943 
1 1 1 -14 -22 2  o 155.425 5.8335  2956.33    219.998  2821.03    326.744  3068.52    297.549  150.687 8.9772  157.819 7.7702  -7.132034      11.87294 
1 1 1 -14 -22 3  o 134.921 5.4407  2224.03    178.116  2120.08    266.689  2307.73    239.317  130.831 8.4461  136.887 7.2308  -6.056915      11.11855 
1 1 1 -14 -22 4  o 34.075  5.4160  145.229    43.282   176.944    71.626   126.988    54.321   37.210  8.1580  31.551  7.2481  5.659830       10.91272 
1 1 1 -14 -22 5  o 76.581  4.7029  717.464    86.965   743.067    135.461  699.514    113.425  77.498  7.2894  75.369  6.2589  2.128372       9.607792 
1 1 1 -14 -22 6  o 216.412 5.7886  5720.24    303.960  5493.26    545.495  5822.46    366.055  210.111 10.736  218.024 6.9195  -7.913040      12.77243 
1 1 1 -14 -22 7  o 133.696 3.8924  2174.92    126.271  2310.97    190.674  2068.65    168.520  137.582 5.7117  130.222 5.3334  7.360321       7.814630 
1 1 1 -14 -22 8  o 214.918 5.0987  5631.06    265.887  5249.17    388.781  5966.63    364.440  206.847 7.7463  220.812 6.8020  -13.96475      10.30884 
1 1 1 -14 -22 9  o 183.512 4.5714  4101.25    203.553  4036.16    299.649  4157.03    277.375  181.632 6.7992  184.462 6.1972  -2.830215      9.199681 
1 1 1 -14 -22 10 o 73.711  3.5272  660.642    63.085   574.274    97.175   723.557    82.939   68.336  5.9190  76.963  4.4605  -8.626778      7.411530 
1 1 1 -14 -22 11 o 306.758 9.5123  11597.54   708.022  11597.54   708.022  0.0000     0.0000   306.758 9.5123  ?       ?       0.000000       9.512334 
1 1 1 -14 -22 12 o 151.690 6.1905  2810.07    227.848  2810.07    227.848  0.0000     0.0000   151.690 6.1905  ?       ?       0.000000       6.190473 
1 1 1 -14 -22 13 o 117.067 5.7467  1672.05    163.236  1672.05    163.236  0.0000     0.0000   117.067 5.7467  ?       ?       0.000000       5.746689 
1 1 1 -14 -22 14 o 43.143  4.2703  228.718    44.116   286.234    72.435   194.802    55.623   47.995  6.3779  39.513  5.9894  8.482304       8.749284 
1 1 1 -14 -22 15 o 150.165 4.0838  2743.40    148.799  2916.81    222.967  2604.16    199.800  154.596 5.9440  146.119 5.6354  8.476639       8.190769 
1 1 1 -14 -22 16 o 71.051  3.5117  613.719    60.541   590.774    99.449   627.229    76.311   69.323  5.9706  71.652  4.4108  -2.328674      7.423117 
1 1 1 -14 -22 17 o 154.979 4.1131  2922.18    154.671  3333.06    231.442  2590.57    207.918  165.290 5.7707  145.706 5.8810  19.58426       8.239381 
1 1 1 -14 -22 18 o 79.126  3.5402  761.178    67.969   873.510    109.844  691.484    86.522   84.479  5.3868  75.204  4.7662  9.275223       7.192656 
1 1 1 -14 -22 19 o 153.248 4.1129  2857.25    152.936  3274.63    229.092  2521.71    205.410  163.837 5.7628  143.756 5.8889  20.08131       8.239458 
1 1 1 -14 -22 20 o 70.995  3.6073  614.402    61.937   701.065    103.726  566.381    77.213   75.601  5.6964  68.039  4.7059  7.561668       7.388802 
1 1 1 -14 -22 21 o 156.573 5.9306  2991.78    225.311  3261.35    333.171  2764.60    305.855  162.768 8.4652  149.829 8.4475  12.93822       11.95910 
1 1 1 -14 -22 22 o 48.939  5.7727  296.189    67.230   206.943    122.738  334.443    80.356   40.419  11.788  51.919  6.5227  -11.49975      13.47221 
1 1 1 -14 -22 23 o 117.911 7.2471  1708.05    206.335  0.0000     0.0000   1708.05    206.335  ?       ?       117.911 7.2471  0.000000       7.247119 
1 1 1 -14 -22 24 o 143.415 5.4313  2507.97    189.001  0.0000     0.0000   2507.97    189.001  ?       ?       143.415 5.4313  0.000000       5.431327 
1 1 1 -14 -22 25 o 281.039 8.5019  9703.26    579.762  0.0000     0.0000   9703.26    579.762  ?       ?       281.039 8.5019  0.000000       8.501946 
1 1 1 -14 -22 26 o 57.805  3.9507  408.392    55.080   452.163    96.831   387.454    66.971   60.444  6.7158  56.173  4.9647  4.271294       8.351649 
1 1 1 -14 -22 27 o 172.642 4.4660  3629.09    187.079  3503.95    275.847  3735.66    254.571  169.254 6.7168  174.905 5.9985  -5.650665      9.005429 
1 1 1 -14 -22 28 o 206.005 5.0156  5172.74    250.708  4687.56    366.468  5599.59    343.733  195.480 7.7263  213.965 6.6208  -18.48514      10.17499 
1 1 1 -14 -22 29 f 119.354 3.8195  1733.10    110.612  2005.34    167.822  1523.99    147.079  128.208 5.3948  111.763 5.4236  16.44468       7.649765 
1 1 1 -14 -22 30 o 205.363 7.0558  5167.54    351.589  5162.56    524.066  5171.62    474.121  203.731 10.638  204.607 9.5501  -0.8756561     14.29609 
1 1 1 -14 -22 31 o 69.772  5.5647  598.149    93.425   534.826    157.237  632.703    116.151  64.926  10.327  71.563  6.7696  -6.636192      12.34782 
1 1 1 -14 -22 32 o 28.242  7.8628  100.956    55.867   95.989     101.829  103.094    66.822   30.149  10.875  28.827  8.7706  1.322086       13.97119 
1 1 1 -14 -22 33 o 129.671 5.7080  2055.68    179.593  2011.42    281.474  2086.07    233.237  127.187 9.1825  130.080 7.4204  -2.892792      11.80594 
1 1 1 -14 -22 34 o 144.408 4.1930  2541.35    146.920  2372.28    220.641  2676.03    196.927  139.076 6.5384  147.949 5.4857  -8.872864      8.534799 
1 1 1 -14 -22 35 o 116.063 3.8498  1641.06    108.417  1848.72    166.485  1488.16    142.861  122.907 5.5826  110.313 5.3373  12.59358       7.723502 
1 1 1 -14 -22 36 o 47.276  4.2783  274.881    48.545   165.722    80.616   336.983    60.805   35.821  9.2205  52.294  4.8472  -16.47287      10.41695 
1 1 1 -14 -22 37 o 193.836 4.8294  4594.74    227.137  4742.97    336.155  4470.21    308.114  196.053 7.0665  190.509 6.6655  5.543869       9.714100 
1 1 1 -14 -22 38 o 104.532 3.8003  1332.95    96.390   1420.11    149.424  1270.84    126.144  107.368 5.7566  101.715 5.1277  5.653572       7.709177 
1 1 1 -14 -22 39 o 56.574  5.0222  395.409    68.223   342.151    92.651   458.487    100.831  51.979  7.5683  60.475  7.0010  -8.495590      10.30987 
1 1 1 -14 -22 40 f 51.541  4.1742  326.980    51.754   241.583    86.415   374.743    64.627   43.200  8.5467  55.062  4.8880  -11.86206      9.845757 
1 1 1 -14 -22 41 o 29.255  5.9215  109.354    40.591   75.798     69.794   126.505    49.897   25.760  9.0328  31.351  6.7584  -5.590803      11.28130 
1 1 1 -14 -22 42 o 135.003 4.1706  2232.82    136.617  2216.04    209.696  2245.19    180.079  133.587 6.4694  134.893 5.5018  -1.306061      8.492516 
1 1 1 -14 -22 43 o 60.875  4.1090  456.229    60.338   588.256    101.149  383.295    75.179   68.590  6.1428  55.393  5.6735  13.19703       8.361953 
1 1 1 -14 -22 44 o 94.060  5.6183  1099.38    127.640  1020.88    192.564  1160.91    170.469  88.975  9.0453  95.855  7.3863  -6.879692      11.67800 
1 1 1 -14 -22 45 o 58.413  5.9141  428.133    82.667   310.622    130.267  507.363    106.965  47.599  11.424  63.203  7.0977  -15.60379      13.44962 
1 1 1 -14 -22 46 o 67.968  4.0656  569.294    66.742   586.756    112.477  559.804    82.918   68.036  6.9093  67.090  5.1326  0.9457626      8.607033 
1 1 1 -14 -22 47 f 65.678  4.3482  533.187    68.901   451.323    118.195  575.325    84.799   58.858  8.5244  67.977  5.1803  -9.118530      9.974952 
1 1 1 -14 -22 48 o 78.097  4.2292  752.623    79.842   791.726    136.210  732.155    98.548   78.881  7.1958  76.646  5.3322  2.235504       8.956079 
1 1 1 -14 -22 49 o 13.183  5.9690  -21.1063   41.045   146.404    84.783   -72.3845   46.909   33.059  9.8393  11.486  5.5495  21.57337       11.29645 
1 1 1 -14 -22 50 o 77.693  5.9295  758.875    110.936  730.761    198.220  771.696    133.863  72.834  11.606  77.729  7.1787  -4.895317      13.64657 
1 1 1 -14 -22 51 o 74.795  5.8842  704.550    105.926  750.649    195.216  685.314    126.105  73.868  11.247  73.104  7.2029  0.7646942      13.35553 
1 1 1 -14 -22 52 o 37.729  5.9186  182.585    52.400   119.418    104.353  203.883    60.593   30.785  11.020  39.701  6.5162  -8.916662      12.80222 
1 1 1 -14 -22 53 o 13.921  6.1540  -10.0635   40.916   -68.0107   91.748   4.3222     45.714   18.246  8.4988  15.927  6.7708  2.319500       10.86619 
1 1 1 -14 -22 54 o 33.200  6.6524  145.046    51.722   91.863     106.204  161.581    59.219   28.466  10.937  34.870  7.2362  -6.404295      13.11411 
1 1 1 -14 -22 55 o 58.331  4.8365  427.734    67.836   525.343    125.000  386.987    80.763   62.613  8.4431  54.866  6.1739  7.747059       10.45957 
1 1 1 -14 -22 56 o 82.667  4.5876  855.380    91.659   851.314    157.805  857.451    112.601  79.804  8.2696  82.098  5.6876  -2.294258      10.03668 
1 1 1 -14 -22 57 o 100.548 5.8607  1291.96    142.364  1289.92    201.663  1294.00    201.005  97.701  8.5942  97.911  8.5465  -0.2097321     12.12029 
1 1 1 -14 -22 58 o 56.628  7.5591  428.460    101.270  511.353    149.729  358.566    137.488  59.320  10.800  48.645  11.775  10.67509       15.97787 
1 1 1 -14 -22 59 f 29.319  9.8453  119.486    82.673   153.224    156.071  106.326    97.472   33.324  13.128  28.538  10.583  4.785566       16.86253 
1 1 1 -14 -22 60 o 41.053  9.6550  241.908    94.562   348.254    181.143  202.070    110.868  45.247  14.542  36.635  11.325  8.611649       18.43113 
1 1 1 -14 -22 61 o 15.806  7.1631  -23.8854   59.258   -116.4787  134.633  -1.6372    65.995   20.632  9.8175  18.102  7.9150  2.529940       12.61071 
1 1 1 -14 -22 62 o 18.513  7.8830  11.173     62.149   -18.0797   137.777  18.646     69.637   24.195  10.947  19.910  8.4049  4.285019       13.80183 
1 1 1 -14 -22 63 o 22.053  9.8797  -11.4001   109.099  191.818    259.790  -54.9129   120.213  36.843  15.909  21.271  9.8458  15.57224       18.70930 
1 1 1 -14 -22 64 o 27.914  10.746  98.812     102.649  -213.0983  320.564  134.449    108.355  29.096  14.164  30.751  11.199  -1.655388      18.05665 
1 1 1 -14 -21 1  o 125.651 3.8669  1922.22    117.894  1840.46    180.853  1982.64    155.466  122.631 6.0780  127.455 5.0271  -4.823524      7.887559 
1 1 1 -14 -21 2  o 92.958  3.5241  1051.22    79.488   1126.86    125.034  999.918    102.975  95.919  5.3942  90.443  4.7086  5.476074       7.160180 
1 1 1 -14 -21 3  o 240.914 7.7011  7127.96    450.175  7116.93    654.875  7137.85    619.855  239.065 11.290  239.753 10.655  -0.6883545     15.52379 
1 1 1 -14 -21 4  o 6.6805  3.3170  -50.6257   20.667   -86.2841   40.032   -37.6672   24.132   9.7015  4.7801  8.3151  4.0084  1.386311       6.238340 
1 1 1 -14 -21 5  o 54.474  4.8121  364.358    62.950   372.444    100.455  359.129    80.778   54.561  7.8109  53.848  6.3017  0.7132988      10.03595 
1 1 1 -14 -21 6  o 143.460 5.6230  2511.18    195.731  2502.99    292.864  2517.80    263.129  142.457 8.5115  143.115 7.6047  -0.6574402     11.41393 
1 1 1 -14 -21 7  o 217.898 5.1184  5786.85    270.615  5567.45    395.559  5979.89    371.032  213.124 7.6492  221.083 6.9166  -7.959076      10.31255 
1 1 1 -14 -21 8  f 55.312  3.6733  373.658    49.019   369.547    77.933   376.349    63.055   54.705  5.9681  55.389  4.7372  -0.6843948     7.619671 
1 1 1 -14 -21 9  f 174.082 4.4871  3689.06    189.532  3315.39    279.383  4007.65    257.973  164.633 6.9939  181.226 5.8666  -16.59341      9.128633 
1 1 1 -14 -21 10 o 159.188 6.2520  3094.29    241.485  3094.29    241.485  0.0000     0.0000   159.188 6.2520  ?       ?       0.000000       6.251974 
1 1 1 -14 -21 11 o 138.741 5.8935  2348.61    198.400  2348.61    198.400  0.0000     0.0000   138.741 5.8935  ?       ?       0.000000       5.893472 
1 1 1 -14 -21 12 o 191.450 6.8907  4481.03    320.098  4481.03    320.098  0.0000     0.0000   191.450 6.8907  ?       ?       0.000000       6.890717 
1 1 1 -14 -21 13 o 123.877 3.8677  1866.21    116.252  1635.17    175.589  2046.52    155.119  115.560 6.2858  129.626 4.9318  -14.06583      7.989651 
1 1 1 -14 -21 14 o 109.991 3.6423  1470.84    97.206   1647.60    149.887  1342.54    127.702  116.273 5.3128  104.984 5.0131  11.28888       7.304589 
1 1 1 -14 -21 15 o ?       ?       -162.0059  10.898   -235.8383  39.021   -155.7595  11.350   ?       ?       ?       ?       0.000000       ?        
1 1 1 -14 -21 16 o 86.121  3.5293  901.588    73.749   1051.70    117.319  803.513    94.829   92.759  5.2339  81.088  4.8418  11.67059       7.130004 
1 1 1 -14 -21 17 o 210.843 4.8738  5413.58    249.341  6117.94    364.761  4795.76    341.617  223.762 6.7183  198.029 7.1096  25.73355       9.781723 
1 1 1 -14 -21 18 o 209.551 4.8750  5347.42    247.874  5984.10    362.956  4790.93    339.329  221.292 6.7597  197.939 7.0652  23.35284       9.778044 
1 1 1 -14 -21 19 f 82.112  3.5549  819.626    70.826   890.735    113.651  774.474    90.562   85.304  5.5205  79.620  4.7086  5.683517       7.255792 
1 1 1 -14 -21 20 o 6.4265  3.2172  -59.9539   21.215   -138.3007  52.279   -44.5086   23.212   10.323  5.1499  7.6803  3.7546  2.642963       6.373271 
1 1 1 -14 -21 21 o 116.510 5.3729  1654.47    151.893  1778.24    232.547  1562.37    200.596  120.193 8.0199  112.759 7.3723  7.434044       10.89359 
1 1 1 -14 -21 22 o 115.592 7.1813  1640.57    200.420  0.0000     0.0000   1640.57    200.420  ?       ?       115.592 7.1813  0.000000       7.181314 
1 1 1 -14 -21 23 o 192.500 9.2355  4557.71    431.373  0.0000     0.0000   4557.71    431.373  ?       ?       192.500 9.2355  0.000000       9.235457 
1 1 1 -14 -21 24 o 141.244 7.8232  2451.76    267.067  0.0000     0.0000   2451.76    267.067  ?       ?       141.244 7.8232  0.000000       7.823188 
1 1 1 -14 -21 25 f 165.165 4.3940  3320.11    176.095  3594.29    265.511  3104.79    235.289  171.548 6.3787  159.488 6.0801  12.06001       8.812259 
1 1 1 -14 -21 26 f 155.416 4.2260  2939.17    159.362  2768.39    235.746  3082.88    216.257  150.534 6.4543  158.990 5.6058  -8.455902      8.548832 
1 1 1 -14 -21 27 o 61.169  3.6803  456.632    54.369   529.619    85.621   407.318    70.380   65.686  5.4205  57.594  5.0886  8.092686       7.434797 
1 1 1 -14 -21 28 o 209.723 4.9586  5359.14    252.329  5676.11    369.202  5081.30    345.656  215.361 7.0653  203.783 6.9906  11.57753       9.939159 
1 1 1 -14 -21 29 o 151.441 4.2546  2791.49    156.338  2613.23    232.366  2938.92    211.321  146.199 6.5503  155.202 5.6115  -9.001923      8.625323 
1 1 1 -14 -21 30 o 50.926  4.1858  317.779    51.265   398.059    82.384   267.051    65.488   56.768  6.0754  46.390  5.9555  10.37721       8.507523 
1 1 1 -14 -21 31 o 18.394  7.4963  15.792     52.716   -13.2502   92.987   29.547     63.994   21.785  9.4622  21.120  8.3788  0.6648350      12.63870 
1 1 1 -14 -21 32 o 235.390 7.6620  6803.60    437.618  7153.56    648.739  6511.38    592.808  239.769 11.151  228.996 10.669  10.77277       15.43277 
1 1 1 -14 -21 33 o 89.735  5.3859  986.602    116.728  1084.62    193.870  930.862    146.197  93.408  8.6521  86.857  6.9963  6.551636       11.12687 
1 1 1 -14 -21 34 o 122.862 3.9622  1838.14    118.118  1800.32    179.257  1867.16    157.031  121.131 6.1188  123.658 5.2336  -2.526436      8.051695 
1 1 1 -14 -21 35 o 164.425 4.4300  3296.62    176.741  3312.73    264.038  3283.53    237.900  164.315 6.6226  163.757 5.9873  0.5579376      8.927814 
1 1 1 -14 -21 36 o 148.641 4.2035  2694.06    151.604  2850.66    227.544  2569.06    203.300  152.461 6.1509  144.825 5.7854  7.636322       8.444205 
1 1 1 -14 -21 37 o 91.277  3.7549  1015.33    83.162   1152.75    129.245  918.232    108.639  96.854  5.5225  86.473  5.2020  10.38048       7.586747 
1 1 1 -14 -21 38 f 194.055 4.8794  4607.19    229.749  4585.36    339.610  4625.61    311.975  192.615 7.2665  193.755 6.6359  -1.139420      9.840614 
1 1 1 -14 -21 39 o 115.091 3.9082  1616.71    109.138  1778.96    168.305  1498.98    143.366  120.304 5.7657  110.533 5.3456  9.771065       7.862491 
1 1 1 -14 -21 40 o 164.758 4.5322  3323.01    181.182  3176.77    271.665  3440.18    243.159  160.105 6.9930  167.076 5.9981  -6.971085      9.213018 
1 1 1 -14 -21 41 o 90.195  3.8243  993.988    83.695   1017.93    132.010  977.897    108.226  90.607  6.0392  89.096  5.0267  1.510567       7.857462 
1 1 1 -14 -21 42 o 30.098  6.0080  115.808    42.340   112.920    74.292   117.198    51.526   29.805  9.2796  30.087  7.1615  -0.2811031     11.72165 
1 1 1 -14 -21 43 o 24.319  6.5718  76.038     39.701   54.630     69.291   86.500     48.440   23.612  8.8901  25.941  7.3568  -2.329168      11.53934 
1 1 1 -14 -21 44 o 41.482  7.0833  220.829    68.735   315.691    107.865  155.972    89.189   48.939  9.4256  34.356  10.057  14.58348       13.78339 
1 1 1 -14 -21 45 o 31.047  7.9629  126.493    60.275   38.832     103.225  171.845    74.248   25.431  10.441  36.058  8.6059  -10.62720      13.53068 
1 1 1 -14 -21 46 o 36.512  5.3037  168.215    45.613   158.373    82.563   172.538    54.722   34.455  9.5465  36.694  6.3776  -2.238991      11.48088 
1 1 1 -14 -21 47 o 26.012  6.9193  88.026     44.434   87.898     86.485   88.072     51.792   27.683  10.017  26.101  7.6703  1.581596       12.61628 
1 1 1 -14 -21 48 o 59.014  4.8944  433.140    69.451   423.064    160.221  435.471    77.068   55.029  12.308  59.004  5.4445  -3.974976      13.45829 
1 1 1 -14 -21 49 o 57.880  4.5893  415.808    63.924   480.050    116.198  387.928    76.548   60.878  8.0648  55.531  5.7652  5.347679       9.913578 
1 1 1 -14 -21 50 f 64.038  6.1057  517.500    93.722   572.237    180.935  497.428    109.567  64.082  12.080  62.219  7.4029  1.862709       14.16755 
1 1 1 -14 -21 51 o 79.232  5.9672  790.237    113.877  716.527    212.469  819.945    134.888  71.088  12.788  80.177  7.0039  -9.089172      14.58044 
1 1 1 -14 -21 52 o 76.710  4.3553  729.369    80.732   662.925    143.244  760.299    97.732   71.069  8.4739  77.980  5.1950  -6.910942      9.939525 
1 1 1 -14 -21 53 o 20.484  7.3696  47.176     46.726   151.077    97.942   16.560     53.167   33.233  10.694  18.079  7.4658  15.15471       13.04228 
1 1 1 -14 -21 54 o 38.075  6.7779  189.838    60.323   57.767     110.114  246.468    72.105   26.479  10.818  43.364  7.0986  -16.88424      12.93873 
1 1 1 -14 -21 55 o 52.264  5.4854  347.100    68.526   297.400    120.753  370.708    83.225   45.389  11.065  53.537  6.5429  -8.148369      12.85448 
1 1 1 -14 -21 56 o 47.858  5.9840  294.968    67.969   308.274    120.467  288.754    82.324   46.096  10.936  46.586  7.5407  -0.4896851     13.28342 
1 1 1 -14 -21 57 o 69.593  6.6895  629.776    111.567  633.883    162.364  626.102    153.563  66.915  10.333  67.027  9.7263  -0.1113358     14.19043 
1 1 1 -14 -21 58 o 110.395 4.7930  1529.57    128.387  1441.27    221.549  1574.22    157.535  102.694 8.9815  110.940 5.8732  -8.245979      10.73137 
1 1 1 -14 -21 59 o 26.500  9.5380  90.302     78.276   172.590    155.687  62.463     90.554   34.549  13.250  24.902  9.9392  9.646955       16.56326 
1 1 1 -14 -21 60 o 40.175  9.1127  227.648    86.791   20.759     168.787  302.013    101.194  27.780  12.378  46.295  9.3309  -18.51554      15.50089 
1 1 1 -14 -21 61 o 25.425  8.7418  84.377     65.215   -0.4321    139.749  107.987    73.736   25.116  11.222  28.110  9.2943  -2.994238      14.57077 
1 1 1 -14 -21 62 o 24.973  8.5720  81.099     62.693   28.864     138.145  94.647     70.356   26.252  11.466  26.654  9.0816  -0.4020481     14.62665 
1 1 1 -14 -21 63 o 55.062  9.5750  428.421    123.281  -81.5258   378.093  489.085    130.407  33.588  16.109  59.025  9.4223  -25.43695      18.66214 
1 1 1 -14 -21 64 o 62.791  9.4280  556.979    139.205  409.617    364.178  582.195    150.645  43.399  18.788  63.579  10.103  -20.18038      21.33193 
1 1 1 -14 -20 1  o 136.418 3.9833  2265.17    131.851  2204.47    200.768  2311.20    174.840  134.273 6.1623  137.634 5.2354  -3.361191      8.086006 
1 1 1 -14 -20 2  o 241.133 5.5344  7096.25    323.811  6884.02    473.787  7282.28    443.580  236.645 8.2513  243.670 7.5025  -7.025070      11.15218 
1 1 1 -14 -20 3  o 147.782 4.1267  2657.92    147.975  2624.55    223.006  2684.17    197.792  146.550 6.2714  148.330 5.4956  -1.779617      8.338631 
1 1 1 -14 -20 4  o 34.318  5.6305  147.394    45.259   41.021     75.038   208.218    56.742   23.380  9.1348  40.890  5.8888  -17.51076      10.86843 
1 1 1 -14 -20 5  f 33.996  5.7978  144.910    46.109   15.282     75.522   221.943    58.219   21.443  8.8800  42.256  5.8338  -20.81368      10.62486 
1 1 1 -14 -20 6  o 208.691 7.0715  5327.87    358.079  4921.13    525.421  5680.61    489.305  199.149 10.915  214.811 9.3877  -15.66179      14.39671 
1 1 1 -14 -20 7  o 29.144  6.2735  107.662    43.050   164.452    70.015   73.142     54.587   35.916  8.2127  24.770  7.9850  11.14670       11.45468 
1 1 1 -14 -20 8  o 253.797 5.7280  7855.79    352.739  7317.34    511.328  8344.71    487.241  244.133 8.6319  261.026 7.6930  -16.89339      11.56255 
1 1 1 -14 -20 9  o 120.430 5.6475  1768.43    165.026  1768.43    165.026  0.0000     0.0000   120.430 5.6475  ?       ?       0.000000       5.647480 
1 1 1 -14 -20 10 o 92.153  5.3949  1038.47    120.105  1038.47    120.105  0.0000     0.0000   92.153  5.3949  ?       ?       0.000000       5.394924 
1 1 1 -14 -20 11 o 120.117 5.6123  1758.98    163.573  1758.98    163.573  0.0000     0.0000   120.117 5.6123  ?       ?       0.000000       5.612301 
1 1 1 -14 -20 12 o 95.135  3.5941  1100.21    82.965   1300.33    128.259  956.228    108.790  103.321 5.1161  88.458  5.0901  14.86218       7.216847 
1 1 1 -14 -20 13 o 110.891 3.6277  1494.85    97.610   1750.73    150.127  1307.47    128.471  119.883 5.1610  103.605 5.1104  16.27789       7.263106 
1 1 1 -14 -20 14 o 141.745 4.0128  2443.51    138.011  2399.17    207.433  2478.73    184.865  140.228 6.0965  142.628 5.3418  -2.399597      8.105639 
1 1 1 -14 -20 15 o 197.905 4.7372  4767.92    227.482  5074.10    333.602  4501.81    311.002  203.805 6.7460  191.982 6.6764  11.82350       9.491208 
1 1 1 -14 -20 16 o 132.221 4.3879  2127.18    140.773  2290.67    267.774  2064.74    165.486  136.492 8.1220  130.186 5.2388  6.306656       9.665000 
1 1 1 -14 -20 17 o 143.112 4.0323  2490.91    140.022  2352.91    209.390  2602.54    188.323  138.857 6.2148  146.152 5.3105  -7.295319      8.174636 
1 1 1 -14 -20 18 o 140.948 3.9733  2415.97    135.887  2708.45    204.379  2184.23    181.921  149.054 5.6510  133.860 5.6010  15.19411       7.956488 
1 1 1 -14 -20 19 o 195.268 4.7027  4641.45    222.816  5005.46    327.196  4326.67    304.270  202.440 6.6611  188.214 6.6626  14.22664       9.421311 
1 1 1 -14 -20 20 o 132.888 3.9640  2147.56    127.816  2008.61    193.208  2255.70    170.442  128.295 6.2066  136.080 5.1620  -7.784622      8.072642 
1 1 1 -14 -20 21 o 113.625 4.9381  1572.16    136.145  0.0000     0.0000   1572.16    136.145  ?       ?       113.625 4.9381  0.000000       4.938138 
1 1 1 -14 -20 22 o 82.789  6.7407  842.762    134.233  0.0000     0.0000   842.762    134.233  ?       ?       82.789  6.7407  0.000000       6.740743 
1 1 1 -14 -20 23 o 120.022 7.3242  1768.52    212.277  0.0000     0.0000   1768.52    212.277  ?       ?       120.022 7.3242  0.000000       7.324235 
1 1 1 -14 -20 24 f 108.587 5.5709  1441.16    146.286  1542.00    235.150  1377.49    186.841  111.746 8.7422  105.868 7.3184  5.877579       11.40112 
1 1 1 -14 -20 25 o 123.177 3.7912  1844.90    113.309  2035.20    170.190  1693.39    151.859  129.220 5.4280  117.882 5.3092  11.33804       7.592795 
1 1 1 -14 -20 26 o 233.054 5.3412  6619.47    302.035  6593.69    438.500  6642.74    416.623  232.008 7.7894  232.986 7.3697  -0.9785767     10.72319 
1 1 1 -14 -20 27 o 29.133  5.2706  106.600    35.886   135.412    58.795   89.493     45.304   32.613  7.5748  26.572  6.9481  6.041218       10.27883 
1 1 1 -14 -20 28 o 206.428 4.9779  5191.06    249.332  5019.89    364.211  5342.04    342.049  202.492 7.4128  209.051 6.7433  -6.559494      10.02104 
1 1 1 -14 -20 29 o 35.614  5.2048  157.809    43.649   185.000    72.231   142.167    54.784   38.136  8.0584  33.482  6.9700  4.653423       10.65450 
1 1 1 -14 -20 30 o 41.960  4.6765  217.052    46.802   59.710     76.383   311.636    59.222   25.125  9.3586  50.339  4.9111  -25.21412      10.56890 
1 1 1 -14 -20 31 o 135.297 5.8104  2234.60    190.748  2157.32    295.151  2290.03    249.962  131.998 9.2742  136.466 7.5788  -4.467468      11.97703 
1 1 1 -14 -20 32 o 242.478 7.9454  7220.20    467.466  7087.56    690.206  7332.61    635.385  238.141 11.983  243.132 10.770  -4.991394      16.11199 
1 1 1 -14 -20 33 o 133.445 5.8218  2175.50    188.506  2056.91    293.213  2259.03    246.106  128.703 9.4554  135.470 7.5166  -6.766953      12.07912 
1 1 1 -14 -20 34 o 89.364  3.7994  971.947    82.384   900.926    128.633  1021.34    107.272  85.586  6.2372  91.388  4.8551  -5.802063      7.904066 
1 1 1 -14 -20 35 o 31.100  5.6455  121.839    41.033   97.612     69.835   134.614    50.709   28.330  9.0211  32.560  6.6436  -4.230036      11.20346 
1 1 1 -14 -20 36 o 107.699 3.8758  1412.86    101.283  1456.42    155.855  1381.02    133.257  108.900 5.9206  106.313 5.1658  2.586784       7.857382 
1 1 1 -14 -20 37 o 60.536  3.9653  448.559    57.922   547.004    94.411   389.142    73.347   66.548  5.9083  56.129  5.4544  10.41870       8.041104 
1 1 1 -14 -20 38 o 126.779 4.0392  1960.57    124.254  1896.42    189.442  2009.01    164.606  124.050 6.3147  128.086 5.2964  -4.036568      8.241798 
1 1 1 -14 -20 39 o 92.627  3.8239  1046.57    85.943   1145.09    135.318  979.957    111.266  96.378  5.8137  89.288  5.1577  7.089958       7.771833 
1 1 1 -14 -20 40 o 123.679 4.0252  1868.33    120.794  2001.68    185.840  1770.77    158.952  127.493 6.0074  120.070 5.4559  7.423019       8.115158 
1 1 1 -14 -20 41 o 77.517  3.8602  734.041    72.606   745.443    116.272  726.753    92.958   77.452  6.2399  76.792  5.0165  0.6602631      8.006319 
1 1 1 -14 -20 42 o 38.850  4.1519  186.779    38.533   202.743    53.233   169.209    55.848   40.187  5.6124  36.423  6.5606  3.763897       8.633638 
1 1 1 -14 -20 43 o 14.206  5.6273  13.768     28.825   -26.3893   38.994   62.153     42.802   12.471  5.7122  22.411  7.0544  -9.940576      9.077095 
1 1 1 -14 -20 44 o 52.905  4.7743  346.982    60.627   340.094    76.221   358.846    100.031  52.008  6.1598  52.815  8.0612  -0.8072166     10.14523 
1 1 1 -14 -20 45 o 10.413  4.8671  -29.1909   30.505   -52.1398   36.380   25.154     55.983   10.370  4.9797  19.431  7.7941  -9.060882      9.249131 
1 1 1 -14 -20 46 o 115.996 4.1635  1652.15    117.182  1631.29    189.561  1665.04    149.080  113.895 6.8918  116.020 5.2957  -2.124741      8.691426 
1 1 1 -14 -20 47 o 42.288  4.4915  222.510    45.381   124.129    64.173   320.926    64.184   30.694  8.3809  50.656  5.3004  -19.96217      9.916333 
1 1 1 -14 -20 48 o 27.689  5.7723  98.703     37.524   87.820     51.077   111.464    55.309   26.051  7.6063  29.140  7.7048  -3.089762      10.82677 
1 1 1 -14 -20 49 o 24.039  6.2727  74.918     36.975   65.040     51.594   85.349     53.017   23.161  7.7776  25.754  7.8070  -2.592796      11.01999 
1 1 1 -14 -20 50 f 31.642  8.2125  132.936    63.602   242.051    132.827  100.475    72.447   41.523  12.306  28.089  9.2090  13.43344       15.37011 
1 1 1 -14 -20 51 o 39.110  7.6025  200.820    69.548   239.942    142.807  188.657    79.629   41.120  12.876  37.453  8.8946  3.666790       15.64948 
1 1 1 -14 -20 52 o 44.193  5.7082  247.941    59.778   331.103    110.623  213.642    71.044   49.462  9.5634  40.322  7.5386  9.139877       12.17744 
1 1 1 -14 -20 53 o 16.422  7.0761  -0.2104    51.178   -9.9247    95.842   3.6644     60.531   21.449  9.4535  18.056  7.7362  3.392956       12.21548 
1 1 1 -14 -20 54 o 49.530  5.6372  311.787    66.541   346.977    116.921  294.929    80.925   50.087  9.9713  47.469  7.2564  2.617111       12.33215 
1 1 1 -14 -20 55 o 46.100  5.9870  272.917    65.387   321.604    119.201  251.961    78.203   47.609  10.592  43.516  7.6876  4.093193       13.08788 
1 1 1 -14 -20 56 o 56.012  5.4051  398.401    72.546   259.414    128.599  463.280    87.862   41.650  12.043  60.076  6.1127  -18.42523      13.50540 
1 1 1 -14 -20 57 o 16.878  7.3420  -1.6761    56.155   -70.1837   121.101  17.089     63.381   21.039  9.7878  19.202  8.0575  1.836823       12.67770 
1 1 1 -14 -20 58 o 86.042  4.9820  933.713    103.565  914.568    186.814  942.207    124.438  81.067  9.6893  85.690  6.0232  -4.623230      11.40883 
1 1 1 -14 -20 59 o 67.935  7.2079  608.667    116.998  595.939    204.876  614.827    142.524  60.746  14.161  66.839  9.0184  -6.092438      16.78888 
1 1 1 -14 -20 60 f 20.827  8.8188  20.047     77.038   -47.6281   161.971  39.833     87.578   25.010  11.524  23.132  9.5697  1.878189       14.97962 
1 1 1 -14 -20 61 o 31.037  8.4844  133.802    65.723   -119.8717  151.769  192.353    72.914   22.091  10.486  37.362  8.2623  -15.27083      13.34978 
1 1 1 -14 -20 62 o 14.603  6.8657  -55.8767   62.235   213.807    139.192  -123.2601  69.577   37.309  12.774  13.165  6.4493  24.14451       14.30934 
1 1 1 -14 -20 63 o 29.848  11.537  113.741    118.698  0.0000     0.0000   113.741    118.698  ?       ?       29.848  11.537  0.000000       11.53675 
1 1 1 -14 -20 64 o 38.799  11.319  230.154    113.146  312.769    367.979  221.527    118.906  40.925  18.253  37.843  11.733  3.082394       21.69846 
1 1 1 -14 -19 1  o 81.925  4.2566  819.168    84.322   583.716    112.944  1115.68    126.746  68.733  6.8640  95.476  5.4943  -26.74250      8.792153 
1 1 1 -14 -19 2  o 203.708 4.9743  5056.32    245.872  4658.50    363.210  5392.83    334.048  194.948 7.6785  210.044 6.5544  -15.09521      10.09550 
1 1 1 -14 -19 3  o 114.008 3.7565  1580.65    103.915  1361.91    159.298  1742.68    137.102  105.422 6.2555  119.626 4.7234  -14.20409      7.838492 
1 1 1 -14 -19 4  o 97.643  3.5182  1159.03    83.354   1469.41    129.336  938.519    109.013  109.842 4.8527  87.614  5.1506  22.22826       7.076549 
1 1 1 -14 -19 5  o 246.897 7.9411  7469.86    475.727  7120.71    693.210  7780.68    654.056  239.564 11.926  250.946 10.742  -11.38167      16.04997 
1 1 1 -14 -19 6  o 80.983  4.8502  801.414    94.868   772.101    148.467  821.643    123.330  79.018  7.8473  81.810  6.2605  -2.791504      10.03865 
1 1 1 -14 -19 7  o 264.391 8.4496  8573.82    542.060  7769.88    786.822  9300.08    747.839  249.510 13.042  274.217 11.240  -24.70689      17.21668 
1 1 1 -14 -19 8  o 170.412 9.2856  3579.46    382.500  3579.46    382.500  0.0000     0.0000   170.412 9.2856  ?       ?       0.000000       9.285566 
1 1 1 -14 -19 9  o 113.494 5.5368  1569.92    152.475  1569.92    152.475  0.0000     0.0000   113.494 5.5368  ?       ?       0.000000       5.536850 
1 1 1 -14 -19 10 o 29.802  7.3187  112.910    52.536   112.910    52.536   0.0000     0.0000   29.802  7.3187  ?       ?       0.000000       7.318695 
1 1 1 -14 -19 11 o 216.872 5.0917  5728.02    267.935  5411.74    389.912  6010.99    368.803  210.296 7.6414  221.820 6.8522  -11.52419      10.26370 
1 1 1 -14 -19 12 o 242.318 5.3820  7154.13    316.443  7704.57    459.021  6655.60    436.840  250.955 7.5383  233.199 7.7202  17.75574       10.79017 
1 1 1 -14 -19 13 o 99.738  3.5698  1209.12    86.391   1268.31    134.012  1167.02    113.007  101.881 5.4407  97.916  4.7565  3.965431       7.226779 
1 1 1 -14 -19 14 o 84.883  3.4983  875.699    72.051   792.489    113.590  931.716    93.200   80.409  5.8624  87.400  4.4091  -6.990524      7.335357 
1 1 1 -14 -19 15 o 153.192 4.1340  2854.25    153.663  2872.81    229.115  2839.07    207.163  153.457 6.1532  152.626 5.5940  0.8309174      8.315927 
1 1 1 -14 -19 16 o 173.384 4.4014  3657.48    185.168  3817.73    273.576  3522.01    251.543  176.868 6.3748  169.922 6.1010  6.945938       8.823809 
1 1 1 -14 -19 17 o 173.799 4.3982  3674.97    185.474  3900.12    274.013  3484.58    251.972  178.776 6.3168  169.010 6.1443  9.765686       8.812195 
1 1 1 -14 -19 18 o 145.504 4.0399  2574.66    142.630  2753.25    213.869  2431.60    191.412  150.268 5.8657  141.251 5.5849  9.016800       8.099202 
1 1 1 -14 -19 19 o 78.501  3.5545  749.012    67.704   700.592    108.182  780.188    86.806   75.566  5.9483  79.949  4.4930  -4.383240      7.454466 
1 1 1 -14 -19 20 o 100.432 4.7552  1227.77    115.880  0.0000     0.0000   1227.77    115.880  ?       ?       100.432 4.7552  0.000000       4.755241 
1 1 1 -14 -19 21 o 244.876 7.6144  7336.90    452.425  0.0000     0.0000   7336.90    452.425  ?       ?       244.876 7.6144  0.000000       7.614403 
1 1 1 -14 -19 22 f 210.361 9.8111  5444.99    500.782  0.0000     0.0000   5444.99    500.782  ?       ?       210.361 9.8111  0.000000       9.811120 
1 1 1 -14 -19 23 o 117.674 5.6108  1687.80    160.203  1637.59    250.809  1722.41    208.213  115.140 9.0504  118.468 7.2786  -3.328369      11.61413 
1 1 1 -14 -19 24 o 115.065 5.2636  1612.93    146.956  1940.42    216.004  1330.73    200.515  125.797 7.1057  103.933 8.0129  21.86414       10.70973 
1 1 1 -14 -19 25 o 170.556 4.9407  3542.17    204.465  3856.13    367.150  3401.02    246.172  177.309 8.5339  166.966 6.0764  10.34291       10.47616 
1 1 1 -14 -19 26 o 249.348 5.5975  7579.22    338.663  7785.43    490.321  7391.10    468.320  252.086 8.0162  245.666 7.8566  6.419876       11.22431 
1 1 1 -14 -19 27 o 82.454  3.6174  826.493    72.371   807.012    111.271  840.776    95.277   81.159  5.6863  82.968  4.7526  -1.808350      7.410877 
1 1 1 -14 -19 28 o 237.367 5.4180  6867.41    312.049  6974.28    453.118  6771.00    430.369  238.607 7.8264  235.185 7.5417  3.422226       10.86877 
1 1 1 -14 -19 29 o 91.359  3.6935  1014.84    81.874   1257.51    126.595  840.348    107.347  101.461 5.1593  82.861  5.3680  18.59918       7.445394 
1 1 1 -14 -19 30 o 110.291 3.8358  1479.40    102.651  1501.53    156.039  1462.52    136.296  110.784 5.8253  109.554 5.1273  1.230438       7.760406 
1 1 1 -14 -19 31 o 201.014 7.0745  4945.00    345.053  4641.35    515.120  5192.13    464.721  193.256 11.031  205.320 9.3282  -12.06364      14.44637 
1 1 1 -14 -19 32 o 85.698  5.4401  899.369    112.534  761.318    183.842  982.092    142.310  77.917  9.9514  89.377  6.6090  -11.45998      11.94610 
1 1 1 -14 -19 33 f 63.863  5.6139  501.596    86.108   634.242    146.667  431.826    106.370  71.287  8.6569  58.855  7.6280  12.43198       11.53812 
1 1 1 -14 -19 34 o 153.916 4.0984  2884.17    153.061  2741.81    219.307  3019.37    213.721  149.765 6.0350  157.245 5.6016  -7.479706      8.234011 
1 1 1 -14 -19 35 o 187.451 4.6784  4284.10    212.791  4397.40    304.855  4176.46    297.156  189.442 6.6321  184.622 6.6334  4.820709       9.380157 
1 1 1 -14 -19 36 o 67.868  3.5813  562.150    58.766   520.669    83.484   602.891    82.735   65.066  5.3349  70.116  4.8937  -5.050499      7.239470 
1 1 1 -14 -19 37 o 62.920  3.6430  483.684    55.379   445.715    78.437   521.424    78.200   60.124  5.4354  65.144  4.9851  -5.020672      7.375293 
1 1 1 -14 -19 38 o 47.817  3.9266  280.596    45.156   223.860    63.268   339.506    64.469   42.233  6.3723  52.438  5.1327  -10.20555      8.182334 
1 1 1 -14 -19 39 o 69.897  3.5577  596.905    60.138   561.569    84.893   632.501    85.204   67.513  5.2229  71.731  4.9252  -4.218338      7.178937 
1 1 1 -14 -19 40 o 91.112  3.5970  1012.31    79.521   1085.02    114.360  944.232    110.650  93.967  5.0341  87.595  5.2299  6.372139       7.259064 
1 1 1 -14 -19 41 o 54.655  3.7496  366.348    49.424   349.770    70.314   382.537    69.486   53.056  5.5438  55.582  5.2132  -2.526470      7.609915 
1 1 1 -14 -19 42 o 75.961  3.5336  704.356    65.129   695.169    92.835   713.260    91.394   75.042  5.1292  76.054  4.9801  -1.011673      7.149149 
1 1 1 -14 -19 43 o 20.728  5.9772  54.335     31.718   51.846     42.582   57.436     47.537   21.002  7.0657  22.101  7.4653  -1.099485      10.27884 
1 1 1 -14 -19 44 o 9.7768  4.6403  -36.1750   29.711   -55.0544   35.145   11.114     55.623   9.9661  4.8124  18.198  7.5856  -8.232236      8.983294 
1 1 1 -14 -19 45 o 69.570  4.7728  598.419    80.081   622.839    101.970  559.121    129.357  70.602  6.0096  66.019  8.2558  4.582657       10.21140 
1 1 1 -14 -19 46 o 95.129  3.9495  1109.55    91.164   989.554    144.824  1188.30    117.325  88.702  6.7803  98.036  4.9482  -9.334320      8.393850 
1 1 1 -14 -19 47 o 72.234  3.7347  640.963    65.234   666.232    92.161   615.591    92.349   73.221  5.2216  70.292  5.4574  2.929482       7.552990 
1 1 1 -14 -19 48 o 121.381 3.9327  1807.89    115.828  1803.07    167.065  1812.34    160.729  120.465 5.7156  120.890 5.4795  -0.4245987     7.917847 
1 1 1 -14 -19 49 o 57.602  3.9883  409.336    55.399   463.832    78.523   355.328    78.171   60.940  5.3652  53.014  6.1938  7.926224       8.194385 
1 1 1 -14 -19 50 o 77.603  6.0873  756.779    113.701  849.886    200.444  712.606    138.063  79.608  10.644  74.500  7.7511  5.107277       13.16677 
1 1 1 -14 -19 51 o 14.238  6.8226  -89.0124   67.505   -143.9947  109.171  -54.9774   85.893   17.863  8.5901  18.227  8.3964  -0.3645954     12.01203 
1 1 1 -14 -19 52 o 35.647  5.6543  162.299    47.275   183.935    60.222   127.555    76.313   37.603  6.8529  30.901  9.3663  6.701788       11.60560 
1 1 1 -14 -19 53 o 15.163  6.3199  8.2325     38.608   -4.3327    47.167   33.745     67.209   15.473  6.7300  21.220  8.5300  -5.746947      10.86525 
1 1 1 -14 -19 54 o 65.045  4.2140  525.440    66.151   457.858    89.266   607.758    98.519   59.875  6.2359  69.222  5.9227  -9.346794      8.600238 
1 1 1 -14 -19 55 o 43.702  4.9863  241.389    51.928   247.098    68.363   233.604    79.840   43.560  6.6813  41.652  8.1918  1.907490       10.57091 
1 1 1 -14 -19 56 o 90.766  3.9449  1019.56    86.880   1093.05    121.432  942.497    124.355  93.043  5.4020  85.986  5.9979  7.057381       8.071963 
1 1 1 -14 -19 57 o 22.112  7.1635  62.758     43.891   58.719     55.099   69.770     72.604   22.254  8.0031  24.498  9.1243  -2.243788      12.13686 
1 1 1 -14 -19 58 o 25.991  8.5863  89.555     62.936   177.884    127.834  61.295     72.306   34.853  12.224  23.657  9.0398  11.19569       15.20380 
1 1 1 -14 -19 59 o 28.757  10.018  111.328    85.786   14.810     170.581  144.004    99.251   27.820  12.416  31.889  10.787  -4.068539      16.44747 
1 1 1 -14 -19 60 o 28.820  9.6591  113.449    79.574   -15.4031   160.986  155.109    91.539   26.109  11.822  32.898  10.310  -6.789318      15.68593 
1 1 1 -14 -19 61 f 31.559  8.5305  138.245    66.881   -45.0280   159.984  177.058    73.623   25.051  11.510  35.694  8.6019  -10.64338      14.36907 
1 1 1 -14 -19 62 o 19.377  8.0362  21.959     61.979   12.686     142.130  24.136     68.872   25.916  11.463  20.298  8.4491  5.617962       14.24002 
1 1 1 -14 -19 63 o 49.339  10.923  358.611    127.308  562.243    344.251  326.351    137.021  50.324  19.592  46.050  12.104  4.274181       23.02971 
1 1 1 -14 -19 64 o 27.310  10.946  83.447     110.308  450.345    326.922  36.310     117.180  45.551  18.628  24.981  10.735  20.56958       21.49963 
1 1 1 -14 -18 1  o 40.619  3.2872  201.839    32.120   150.973    82.149   211.019    34.898   34.485  9.5098  41.516  3.4969  -7.031162      10.13235 
1 1 1 -14 -18 2  o 305.306 6.5941  11387.93   488.487  11184.35   707.138  11573.75   675.591  301.358 9.6707  306.832 9.0744  -5.474121      13.26151 
1 1 1 -14 -18 3  f 202.316 4.7991  4983.79    235.589  5305.06    347.512  4710.56    320.475  208.341 6.8744  196.351 6.7266  11.98946       9.617900 
1 1 1 -14 -18 4  o 160.436 4.2634  3131.45    165.965  3106.08    248.078  3151.99    223.294  159.506 6.4098  160.782 5.7237  -1.276382      8.593406 
1 1 1 -14 -18 5  o 147.674 4.0981  2652.39    146.841  2577.08    219.782  2713.10    197.353  145.322 6.2330  149.210 5.4511  -3.887680      8.280367 
1 1 1 -14 -18 6  o 120.308 5.3378  1763.41    155.820  1617.46    237.751  1873.30    206.305  114.522 8.6192  123.636 6.9046  -9.114037      11.04370 
1 1 1 -14 -18 7  o 146.856 5.8184  2629.48    207.327  2372.04    311.991  2833.06    277.450  138.645 9.3284  152.185 7.5136  -13.53990      11.97804 
1 1 1 -14 -18 8  o 164.139 9.1786  3318.49    364.089  3318.49    364.089  0.0000     0.0000   164.139 9.1786  ?       ?       0.000000       9.178561 
1 1 1 -14 -18 9  o 20.441  8.1414  26.216     60.639   26.216     60.639   0.0000     0.0000   20.441  8.1414  ?       ?       0.000000       8.141385 
1 1 1 -14 -18 10 o 139.803 4.0025  2376.65    135.773  2028.33    201.447  2666.58    183.788  128.918 6.4400  147.977 5.1187  -19.05934      8.226426 
1 1 1 -14 -18 11 o 116.726 3.6493  1656.12    103.357  1746.19    156.171  1585.92    137.872  119.725 5.3759  114.132 4.9786  5.593056       7.327135 
1 1 1 -14 -18 12 o 119.973 3.6877  1749.61    107.351  1838.49    161.914  1679.89    143.400  122.844 5.4321  117.460 5.0314  5.383453       7.404257 
1 1 1 -14 -18 13 o 194.009 4.7201  4580.90    222.198  4436.43    325.642  4706.76    303.949  190.557 7.0429  196.400 6.3782  -5.843552      9.501774 
1 1 1 -14 -18 14 f 203.813 5.6987  5062.84    281.821  5030.53    352.526  5120.06    469.109  202.892 7.1608  204.138 9.4708  -1.245483      11.87322 
1 1 1 -14 -18 15 o 172.050 4.3428  3600.85    181.298  4134.67    268.093  3151.01    246.105  184.140 6.0003  160.707 6.3114  23.43280       8.708444 
1 1 1 -14 -18 16 o 497.640 10.029  30472.90   1211.01  31586.81   1724.21  29388.41   1701.29  503.189 14.122  485.044 14.455  18.14505       20.20866 
1 1 1 -14 -18 17 o 160.530 4.1998  3134.24    163.589  3690.77    242.877  2672.12    221.321  174.010 5.7524  148.011 6.1626  25.99904       8.430152 
1 1 1 -14 -18 18 o 209.164 4.9370  5326.08    250.560  5523.04    366.050  5152.44    343.695  212.607 7.0958  205.391 6.8965  7.216553       9.895028 
1 1 1 -14 -18 19 o 190.130 5.3775  4403.68    248.081  4191.73    456.863  4492.31    295.431  184.234 10.261  191.880 6.3454  -7.646362      12.06429 
1 1 1 -14 -18 20 o 115.358 4.9640  1620.14    138.946  0.0000     0.0000   1620.14    138.946  ?       ?       115.358 4.9640  0.000000       4.964022 
1 1 1 -14 -18 21 o 115.734 4.9875  1630.77    140.057  0.0000     0.0000   1630.77    140.057  ?       ?       115.734 4.9875  0.000000       4.987454 
1 1 1 -14 -18 22 o 147.962 5.9273  2669.39    212.799  2937.97    318.662  2453.23    285.886  154.587 8.5286  141.253 8.3787  13.33435       11.95573 
1 1 1 -14 -18 23 o 25.111  7.8536  76.471     53.146   26.714     113.240  90.526     60.186   26.435  10.904  27.172  8.3347  -0.7366142     13.72485 
1 1 1 -14 -18 24 o 165.345 6.1242  3334.76    245.698  3079.91    354.163  3571.22    341.142  158.090 9.2734  170.735 8.2347  -12.64510      12.40189 
1 1 1 -14 -18 25 o 136.837 5.6504  2282.21    187.606  2083.28    271.917  2462.93    259.171  130.051 8.6667  141.694 7.5656  -11.64320      11.50433 
1 1 1 -14 -18 26 o 116.628 3.8224  1653.77    108.169  1538.65    162.283  1745.80    145.101  112.163 5.9845  119.738 4.9943  -7.574867      7.794718 
1 1 1 -14 -18 27 o 138.007 4.0319  2316.28    135.014  2254.12    200.921  2367.46    182.311  135.931 6.0918  139.390 5.3903  -3.459061      8.134202 
1 1 1 -14 -18 28 o 151.334 4.1758  2785.88    153.336  2773.42    227.382  2796.26    207.658  150.753 6.2162  151.449 5.6509  -0.6963654     8.400815 
1 1 1 -14 -18 29 o 203.776 4.8573  5056.33    240.168  5534.74    351.483  4637.33    328.935  212.823 6.8065  194.775 6.9601  18.04811       9.735011 
1 1 1 -14 -18 30 o 293.146 6.2415  10490.83   443.949  10461.53   632.133  10519.34   623.632  291.788 8.9285  292.653 8.7824  -0.8650513     12.52386 
1 1 1 -14 -18 31 o 58.069  6.0779  416.025    84.368   167.396    139.571  559.184    105.908  37.834  12.792  67.336  6.5656  -29.50235      14.37829 
1 1 1 -14 -18 32 o 215.922 7.5235  5712.13    394.165  4935.64    584.667  6359.10    533.682  198.797 12.180  227.092 9.6854  -28.29578      15.56116 
1 1 1 -14 -18 33 o 129.439 5.7021  2044.85    179.088  2208.12    279.606  1931.29    233.200  133.718 8.6644  125.255 7.7105  8.462929       11.59843 
1 1 1 -14 -18 34 o 154.649 4.1520  2911.45    155.801  3040.41    223.403  2789.34    217.393  157.776 5.8356  151.105 5.9293  6.671204       8.319286 
1 1 1 -14 -18 35 o 186.411 4.6135  4235.03    208.671  4216.82    298.505  4252.44    291.820  185.560 6.6299  186.388 6.4526  -0.8281097     9.251529 
1 1 1 -14 -18 36 o 137.249 3.9754  2293.93    132.391  2384.03    189.755  2208.48    184.801  139.662 5.5995  134.410 5.6664  5.252350       7.966365 
1 1 1 -14 -18 37 o 69.548  3.6346  590.474    61.121   649.493    87.642   534.592    85.281   72.758  4.9947  65.913  5.3793  6.845131       7.340542 
1 1 1 -14 -18 38 o 39.761  4.2969  195.076    40.796   189.155    56.417   201.564    59.061   38.796  6.2022  40.059  6.2829  -1.263054      8.828475 
1 1 1 -14 -18 39 o 57.819  3.6917  409.087    51.521   367.436    73.436   449.460    72.301   54.458  5.6393  60.413  4.9766  -5.955368      7.521160 
1 1 1 -14 -18 40 o 81.679  3.5264  813.239    69.889   825.662    99.876   801.319    97.833   81.947  5.0475  80.732  5.0191  1.215424       7.118243 
1 1 1 -14 -18 41 o 101.440 3.6637  1255.58    90.178   1310.18    129.550  1204.27    125.603  103.200 5.1902  98.914  5.2522  4.286568       7.383965 
1 1 1 -14 -18 42 o 45.305  4.0399  252.898    43.943   270.107    61.333   234.747    62.990   46.530  5.5414  43.181  6.1890  3.349808       8.307319 
1 1 1 -14 -18 43 f 39.694  4.3099  195.226    40.843   143.922    56.602   250.955    58.993   33.381  7.1998  44.795  5.5462  -11.41326      9.088319 
1 1 1 -14 -18 44 o 25.409  6.6376  83.243     41.371   110.405    50.641   28.742     71.735   29.171  7.1987  21.664  8.7757  7.507145       11.35054 
1 1 1 -14 -18 45 o 52.739  4.8277  345.073    61.093   301.925    75.958   424.119    102.811  48.829  6.5786  57.682  7.5249  -8.853333      9.995094 
1 1 1 -14 -18 46 o 20.475  6.1813  52.663     33.285   34.736     47.039   70.640     47.106   19.295  7.3107  23.716  7.3901  -4.421120      10.39521 
1 1 1 -14 -18 47 o 82.731  3.7159  838.370    74.592   872.298    105.889  804.951    105.093  83.843  5.2311  80.465  5.4142  3.378265       7.528476 
1 1 1 -14 -18 48 f 83.774  3.8034  860.337    77.311   822.092    109.127  898.873    109.542  81.233  5.5701  85.048  5.3353  -3.814880      7.713058 
1 1 1 -14 -18 49 o 102.295 3.9504  1284.48    98.052   1266.63    138.322  1302.50    139.015  100.810 5.6780  102.257 5.6244  -1.446938      7.992071 
1 1 1 -14 -18 50 o 45.099  8.5998  268.558    90.672   215.125    152.153  297.983    112.912  39.635  13.356  46.877  10.216  -7.241478      16.81497 
1 1 1 -14 -18 51 o 48.652  8.8677  314.048    100.827  160.872    170.058  397.081    125.207  36.425  13.877  54.350  9.8573  -17.92506      17.02138 
1 1 1 -14 -18 52 o 66.906  4.1438  553.685    66.941   549.219    91.302   558.875    98.437   66.055  5.7540  66.458  6.1751  -0.4031906     8.440392 
1 1 1 -14 -18 53 o 58.953  4.2860  431.564    60.890   387.209    80.960   489.329    92.392   55.152  6.1548  62.039  6.2215  -6.887177      8.751450 
1 1 1 -14 -18 54 o 75.914  4.0965  713.924    75.177   606.140    102.654  838.592    110.402  69.009  6.1967  81.575  5.6118  -12.56648      8.360145 
1 1 1 -14 -18 55 f 36.071  5.8112  167.743    49.133   119.304    62.813   244.105    78.865   29.683  8.3632  42.764  7.8912  -13.08092      11.49849 
1 1 1 -14 -18 56 o 26.822  6.9319  95.985     45.440   90.517     57.020   105.499    75.222   26.112  8.1296  28.180  9.3908  -2.067930      12.42084 
1 1 1 -14 -18 57 f 27.870  6.9248  104.064    46.620   27.341     58.392   238.962    77.427   19.490  7.9097  42.110  7.8671  -22.62037      11.15595 
1 1 1 -14 -18 58 f 41.662  5.3635  222.283    52.960   171.953    67.638   302.037    85.143   35.448  8.0477  47.513  7.6446  -12.06507      11.09982 
1 1 1 -14 -18 59 o 26.434  7.4595  94.390     49.930   81.661     57.478   133.536    100.794  24.932  8.2040  31.064  10.857  -6.132341      13.60821 
1 1 1 -14 -18 60 o 33.439  6.5319  148.120    51.096   161.354    58.599   106.141    104.370  34.655  7.2039  28.998  10.912  5.657337       13.07564 
1 1 1 -14 -18 61 o 61.639  4.4709  476.318    66.413   453.262    90.485   503.242    97.783   59.133  6.4089  62.236  6.5748  -3.102634      9.181626 
1 1 1 -14 -18 62 o 19.775  7.9923  30.052     59.353   -23.9976   144.664  40.992     65.083   24.669  11.185  21.294  8.4491  3.375549       14.01736 
1 1 1 -14 -18 63 o 51.494  10.226  380.947    123.262  344.377    371.296  385.476    130.673  42.896  18.764  51.321  10.834  -8.424965      21.66736 
1 1 1 -14 -18 64 o 27.266  10.602  89.374     100.702  -167.9041  354.850  111.909    105.020  31.267  15.146  29.091  10.946  2.175774       18.68762 
1 1 1 -14 -17 1  o 236.747 5.4083  6830.84    310.678  6934.51    455.872  6740.92    424.531  237.928 7.8965  234.706 7.4545  3.222031       10.85928 
1 1 1 -14 -17 2  o 214.145 5.0790  5585.21    263.907  5432.17    388.398  5716.46    359.694  210.684 7.5977  216.302 6.8534  -5.617294      10.23203 
1 1 1 -14 -17 3  o 92.305  3.5561  1035.61    79.646   960.281    123.963  1088.57    103.938  88.560  5.8009  94.581  4.5291  -6.020462      7.359545 
1 1 1 -14 -17 4  o 144.443 4.0358  2537.18    141.445  2632.46    212.661  2461.59    189.417  146.924 5.9653  142.132 5.4924  4.792480       8.108720 
1 1 1 -14 -17 5  o 214.476 5.1341  5601.85    267.184  4993.43    390.647  6136.63    366.244  201.958 7.9719  224.176 6.7331  -22.21840      10.43482 
1 1 1 -14 -17 6  o 119.805 4.4138  1746.17    128.307  1702.84    164.523  1813.43    204.981  118.197 5.7366  121.644 6.9739  -3.447144      9.030151 
1 1 1 -14 -17 7  o 45.804  8.6429  265.442    92.535   265.442    92.535   0.0000     0.0000   45.804  8.6429  ?       ?       0.000000       8.642915 
1 1 1 -14 -17 8  o 109.335 8.0682  1471.23    212.529  1471.23    212.529  0.0000     0.0000   109.335 8.0682  ?       ?       0.000000       8.068166 
1 1 1 -14 -17 9  o 123.645 5.4409  1862.41    163.234  1696.00    248.812  1988.16    216.286  117.282 8.8076  127.387 7.0246  -10.10460      11.26585 
1 1 1 -14 -17 10 o 188.973 4.6483  4345.49    213.136  4123.91    311.849  4539.74    291.973  183.745 6.9946  192.920 6.2374  -9.175003      9.371763 
1 1 1 -14 -17 11 o 133.757 3.8103  2174.90    123.663  2521.44    185.019  1895.10    166.255  143.883 5.2996  124.721 5.4938  19.16245       7.633274 
1 1 1 -14 -17 12 o 90.566  3.4189  996.713    75.131   1103.54    115.531  918.432    98.901   95.075  5.0259  86.746  4.7165  8.328606       6.892396 
1 1 1 -14 -17 13 o 380.642 8.9870  17775.09   830.029  18764.25   1024.09  15881.06   1417.09  390.119 10.819  355.196 16.442  34.92282       19.68240 
1 1 1 -14 -17 14 o 316.123 7.7953  12226.27   597.931  12683.70   739.824  11364.71   1015.34  321.335 9.4887  302.066 13.853  19.26907       16.79111 
1 1 1 -14 -17 15 o 234.552 5.2971  6700.41    301.466  7158.82    437.522  6286.05    415.970  241.984 7.4516  226.729 7.5612  15.25578       10.61594 
1 1 1 -14 -17 16 o 242.946 5.4511  7190.17    321.337  7573.93    465.614  6841.16    444.033  248.834 7.7117  236.484 7.7384  12.34995       10.92490 
1 1 1 -14 -17 17 f 320.443 6.7552  12536.51   525.237  13631.44   754.471  11506.82   731.650  333.193 9.3322  305.917 9.8568  27.27621       13.57371 
1 1 1 -14 -17 18 o 387.280 7.9348  18355.24   745.637  20020.42   1065.95  16759.77   1043.40  402.920 10.903  368.212 11.678  34.70789       15.97705 
1 1 1 -14 -17 19 o 94.699  4.6969  1091.32    107.924  0.0000     0.0000   1091.32    107.924  ?       ?       94.699  4.6969  0.000000       4.696870 
1 1 1 -14 -17 20 o 137.714 5.3331  2309.95    178.206  0.0000     0.0000   2309.95    178.206  ?       ?       137.714 5.3331  0.000000       5.333081 
1 1 1 -14 -17 21 o 176.881 6.0988  3815.31    261.752  0.0000     0.0000   3815.31    261.752  ?       ?       176.881 6.0988  0.000000       6.098803 
1 1 1 -14 -17 22 o 116.659 3.8025  1654.39    107.633  1683.95    164.363  1632.20    142.417  117.543 5.7629  115.783 5.0694  1.760139       7.675257 
1 1 1 -14 -17 23 o 120.257 5.3489  1761.51    156.077  1872.86    226.756  1661.27    215.155  123.522 7.6027  116.295 7.6678  7.226326       10.79792 
1 1 1 -14 -17 24 o 61.232  5.3182  460.089    78.230   548.208    117.061  388.975    105.161  66.570  7.3709  55.823  7.9919  10.74681       10.87198 
1 1 1 -14 -17 25 o 122.579 5.4598  1830.59    162.390  1748.07    235.975  1904.82    223.815  119.195 8.2091  124.600 7.4369  -5.404099      11.07692 
1 1 1 -14 -17 26 o 194.940 4.7453  4625.21    224.456  4484.65    320.270  4760.89    314.662  191.616 6.8885  197.490 6.5665  -5.874008      9.516837 
1 1 1 -14 -17 27 o 125.433 3.7379  1912.64    113.763  1959.13    163.216  1868.71    158.650  126.818 5.3042  123.860 5.2789  2.958649       7.483395 
1 1 1 -14 -17 28 o 89.526  3.4764  974.093    75.516   1046.69    108.847  906.725    104.856  92.597  4.8616  86.145  5.0385  6.452255       7.001517 
1 1 1 -14 -17 29 o 212.294 4.9735  5488.08    256.193  5173.63    365.406  5792.11    359.294  205.678 7.3219  217.744 6.8005  -12.06647      9.992833 
1 1 1 -14 -17 30 o 224.590 5.1446  6144.53    280.353  6038.20    399.943  6247.25    393.103  222.150 7.4197  226.027 7.1677  -3.876526      10.31643 
1 1 1 -14 -17 31 o 24.632  8.1670  70.678     56.920   207.703    102.639  9.8219     68.401   40.280  10.422  20.125  8.4023  20.15435       13.38731 
1 1 1 -14 -17 32 o 118.316 5.6939  1707.54    163.462  1472.72    255.793  1869.61    212.518  108.890 9.7859  123.415 7.1272  -14.52465      12.10618 
1 1 1 -14 -17 33 o 83.094  5.5644  845.975    111.541  748.887    180.973  905.448    141.642  77.310  9.8729  85.766  6.8639  -8.455368      12.02442 
1 1 1 -14 -17 34 o 105.905 3.6036  1364.06    92.600   1277.83    132.116  1447.33    129.827  102.215 5.3455  108.975 4.9099  -6.760132      7.258193 
1 1 1 -14 -17 35 o 23.295  5.9280  68.855     33.590   106.379    46.227   26.877     48.893   28.907  6.7184  18.922  7.3790  9.985132       9.979301 
1 1 1 -14 -17 36 o 173.276 4.4535  3658.97    187.242  3628.49    267.947  3688.05    261.760  172.140 6.4151  173.596 6.2144  -1.456497      8.931535 
1 1 1 -14 -17 37 o 47.493  4.0339  276.737    46.046   278.084    65.588   275.429    64.660   47.323  5.8356  47.103  5.7786  0.2197914      8.212564 
1 1 1 -14 -17 38 o 67.433  3.6691  555.428    59.808   512.238    84.855   598.064    84.310   64.474  5.4759  69.783  5.0127  -5.308846      7.423800 
1 1 1 -14 -17 39 o 16.880  6.0070  30.117     30.965   19.161     42.090   43.042     45.716   17.088  6.7901  20.282  7.2902  -3.194012      9.962569 
1 1 1 -14 -17 40 o 47.426  3.9602  276.336    45.155   319.801    63.965   233.158    63.753   50.819  5.2637  43.095  6.2816  7.724110       8.195449 
1 1 1 -14 -17 41 o 75.253  3.5618  690.667    65.037   683.468    92.761   697.628    91.211   74.473  5.1653  75.275  5.0226  -0.8022156     7.204647 
1 1 1 -14 -17 42 o 53.088  3.8101  345.963    48.752   429.424    68.340   259.474    69.569   58.987  4.8169  45.369  6.5058  13.61753       8.094886 
1 1 1 -14 -17 43 o 81.122  3.6133  803.744    71.122   830.469    101.785  778.247    99.420   82.025  5.1401  79.381  5.1903  2.644249       7.304776 
1 1 1 -14 -17 44 o 66.824  4.7553  551.326    76.601   532.205    97.461   582.226    123.895  65.244  6.2322  67.771  7.6693  -2.527527      9.882193 
1 1 1 -14 -17 45 f 58.206  4.8517  419.689    67.897   429.863    85.683   402.518    111.312  58.562  6.1203  55.839  8.4825  2.723015       10.45998 
1 1 1 -14 -17 46 o 35.297  5.3127  157.154    44.091   215.547    60.268   89.909     64.674   41.209  6.2211  26.829  8.6960  14.37984       10.69215 
1 1 1 -14 -17 47 o 55.082  4.3094  374.944    57.136   423.014    76.493   314.275    85.934   58.212  5.4801  49.503  7.3799  8.708828       9.192063 
1 1 1 -14 -17 48 o 43.131  4.9941  232.574    51.298   172.351    66.062   324.041    81.415   36.297  7.7375  50.443  6.8272  -14.14640      10.31888 
1 1 1 -14 -17 49 o 56.618  4.3172  396.474    58.862   415.137    78.907   373.059    88.384   57.537  5.7282  54.122  6.8863  3.415035       8.957281 
1 1 1 -14 -17 50 o 58.705  7.3905  441.867    102.939  318.388    174.333  507.963    127.548  46.954  14.140  62.413  8.6553  -15.45887      16.57848 
1 1 1 -14 -17 51 o 79.148  6.9848  796.455    132.764  455.239    225.531  977.404    164.236  54.576  15.997  87.234  7.8431  -32.65852      17.81618 
1 1 1 -14 -17 52 o 42.439  5.0337  226.433    50.824   164.757    66.082   315.747    79.521   35.226  7.9233  49.586  6.7875  -14.36007      10.43301 
1 1 1 -14 -17 53 o 54.451  4.3924  368.825    57.539   364.370    76.447   374.646    87.390   53.562  5.9845  53.969  6.8262  -0.4066544     9.078096 
1 1 1 -14 -17 54 o 51.656  4.6093  333.572    57.164   329.465    74.772   339.350    88.682   50.740  6.2024  50.977  7.3848  -0.2363625     9.643883 
1 1 1 -14 -17 55 o 54.613  4.2578  371.590    55.976   357.719    75.475   388.547    83.448   52.911  5.9841  54.988  6.3725  -2.077339      8.741703 
1 1 1 -14 -17 56 o 26.694  6.6345  94.630     42.785   102.594    53.547   80.565     71.155   27.618  7.7009  25.559  9.1049  2.059017       11.92494 
1 1 1 -14 -17 57 o 49.216  5.0050  306.531    58.937   299.379    77.855   316.130    90.200   47.766  6.9188  48.563  7.9284  -0.7971840     10.52286 
1 1 1 -14 -17 58 o 59.077  4.5718  438.152    65.024   359.281    87.368   536.089    97.356   52.250  7.0731  64.450  6.3064  -12.19940      9.476223 
1 1 1 -14 -17 59 o 39.483  6.3714  204.109    58.961   213.498    68.962   178.596    113.678  39.925  7.3909  34.960  11.539  4.964783       13.70326 
1 1 1 -14 -17 60 o 69.484  5.1044  610.154    85.457   567.461    103.374  702.306    151.874  66.170  6.5234  71.807  8.9080  -5.636917      11.04118 
1 1 1 -14 -17 61 o 50.964  4.7614  327.632    58.198   396.427    76.338   232.155    89.932   55.643  5.7364  40.679  9.3122  14.96409       10.93721 
1 1 1 -14 -17 62 o 24.699  6.3963  81.197     38.637   100.430    46.066   35.567     70.954   27.334  6.9346  21.412  8.7082  5.921608       11.13205 
1 1 1 -14 -17 63 o 29.849  10.999  118.791    104.957  -176.7502  348.941  148.189    110.053  31.469  15.187  32.262  11.341  -0.7932053     18.95456 
1 1 1 -14 -17 64 o 51.488  10.469  387.717    126.334  445.129    309.182  376.210    138.417  45.828  18.340  49.635  11.687  -3.806339      21.74695 
1 1 1 -14 -16 1  o 314.834 6.8581  12108.23   523.903  11238.31   757.748  12904.91   725.148  302.001 10.341  324.133 9.2202  -22.13181      13.85436 
1 1 1 -14 -16 2  o 72.523  3.4375  639.171    60.489   651.310    95.324   630.987    78.266   72.917  5.4266  71.873  4.5108  1.044464       7.056602 
1 1 1 -14 -16 3  o 162.771 4.2653  3222.59    168.457  3359.01    251.590  3111.72    226.802  165.938 6.2486  159.767 5.8506  6.170868       8.560035 
1 1 1 -14 -16 4  o 122.396 3.8220  1821.17    113.507  1655.15    171.678  1950.11    151.295  116.343 6.1028  126.569 4.9264  -10.22633      7.843053 
1 1 1 -14 -16 5  o 85.530  3.5112  889.021    72.869   680.239    111.414  1045.09    96.329   74.424  6.2269  92.696  4.2828  -18.27184      7.557549 
1 1 1 -14 -16 6  o 154.356 6.1695  2905.64    231.066  2905.64    231.066  0.0000     0.0000   154.356 6.1695  ?       ?       0.000000       6.169487 
1 1 1 -14 -16 7  f 202.675 10.307  5068.25    505.200  5068.25    505.200  0.0000     0.0000   202.675 10.307  ?       ?       0.000000       10.30701 
1 1 1 -14 -16 8  o 172.422 6.4078  3626.98    268.080  3118.12    399.514  4043.77    361.566  158.818 10.425  181.737 8.1994  -22.91989      13.26332 
1 1 1 -14 -16 9  o 158.975 6.0152  3081.25    232.030  3054.70    347.840  3102.53    311.448  157.528 9.1396  159.005 8.0994  -1.477615      12.21199 
1 1 1 -14 -16 10 o 36.961  4.1958  168.262    36.962   264.567    87.030   147.068    40.828   45.828  8.1241  34.397  5.0415  11.43087       9.561223 
1 1 1 -14 -16 11 o 35.090  3.8117  151.435    31.932   218.191    53.763   115.053    39.690   41.983  5.4032  30.252  5.6139  11.73108       7.791631 
1 1 1 -14 -16 12 o 182.762 4.4724  4063.38    198.329  4346.21    290.693  3817.08    271.273  188.755 6.3470  176.896 6.3201  11.85863       8.957034 
1 1 1 -14 -16 13 o 249.545 5.5273  7586.44    334.678  7924.56    484.012  7276.68    463.279  254.511 7.8376  243.888 7.8287  10.62338       11.07777 
1 1 1 -14 -16 14 o 89.875  3.5393  981.651    77.183   1020.88    120.963  954.709    100.240  91.383  5.4807  88.454  4.6872  2.929070       7.211662 
1 1 1 -14 -16 15 o 50.479  3.8694  311.582    47.033   324.322    83.898   305.744    56.797   51.075  6.9503  49.900  4.7482  1.174934       8.417357 
1 1 1 -14 -16 16 o 85.777  3.6355  894.251    75.666   981.872    122.602  840.345    96.164   89.589  5.6693  82.959  4.7978  6.630112       7.426951 
1 1 1 -14 -16 17 o 266.271 5.8309  8641.50    376.725  9371.49    544.263  7970.07    521.975  276.694 8.1067  255.075 8.4337  21.61916       11.69811 
1 1 1 -14 -16 18 o 181.606 6.1987  4022.14    273.147  0.0000     0.0000   4022.14    273.147  ?       ?       181.606 6.1987  0.000000       6.198738 
1 1 1 -14 -16 19 o 37.052  5.4145  170.711    47.242   0.0000     0.0000   170.711    47.242   ?       ?       37.052  5.4145  0.000000       5.414505 
1 1 1 -14 -16 20 o 45.506  5.0740  255.210    55.071   0.0000     0.0000   255.210    55.071   ?       ?       45.506  5.0740  0.000000       5.073957 
1 1 1 -14 -16 21 o 154.451 4.1801  2900.97    156.652  3265.65    233.141  2600.80    211.512  163.683 5.8702  146.062 5.9681  17.62065       8.371187 
1 1 1 -14 -16 22 o 160.843 4.3003  3146.51    167.829  2829.56    246.147  3421.85    229.425  152.260 6.6626  167.582 5.6422  -15.32129      8.730681 
1 1 1 -14 -16 23 o 210.799 6.7987  5424.92    347.742  5306.85    481.283  5553.88    503.000  207.863 9.5424  212.589 9.7513  -4.725433      13.64353 
1 1 1 -14 -16 24 o 143.989 5.3833  2525.29    188.079  2374.58    256.456  2700.68    276.659  139.147 7.6248  148.403 7.7097  -9.256012      10.84331 
1 1 1 -14 -16 25 o 83.585  4.6640  852.763    94.215   934.930    125.917  748.249    142.011  87.370  5.9755  77.861  7.6143  9.508804       9.679042 
1 1 1 -14 -16 26 o 120.874 3.7400  1776.01    109.690  1809.07    157.051  1744.52    153.268  121.874 5.3108  119.683 5.2778  2.191261       7.487338 
1 1 1 -14 -16 27 o 151.266 3.9822  2782.17    146.162  2898.09    209.554  2672.35    203.967  154.218 5.6001  148.081 5.6767  6.136688       7.974110 
1 1 1 -14 -16 28 o 75.006  3.4464  683.698    62.723   695.348    90.135   672.760    87.337   75.414  4.9534  74.182  4.8794  1.231804       6.953022 
1 1 1 -14 -16 29 o 310.778 6.6623  11793.24   502.385  11362.65   714.012  12215.41   706.999  303.968 9.6808  315.358 9.2396  -11.38922      13.38239 
1 1 1 -14 -16 30 o 218.901 4.9133  5834.38    260.967  5616.75    372.178  6044.88    366.027  214.348 7.1559  222.453 6.7812  -8.105286      9.858642 
1 1 1 -14 -16 31 o 214.853 7.3027  5646.58    380.705  5574.28    565.864  5706.36    514.580  212.093 11.034  215.267 9.8517  -3.173691      14.79189 
1 1 1 -14 -16 32 o 143.089 5.8327  2497.62    202.507  2842.32    313.451  2250.67    265.308  151.940 8.5368  135.249 8.1221  16.69034       11.78331 
1 1 1 -14 -16 33 o 88.235  5.4689  952.930    116.509  955.169    190.426  951.591    147.295  87.666  9.0840  87.933  6.9604  -0.2672501     11.44408 
1 1 1 -14 -16 34 o 118.300 3.7750  1702.29    108.361  1663.87    155.258  1738.78    151.308  116.791 5.4788  119.421 5.2218  -2.630051      7.568623 
1 1 1 -14 -16 35 o 112.710 3.6900  1545.35    100.913  1458.87    144.557  1627.57    140.938  109.338 5.4489  115.537 5.0274  -6.199013      7.413820 
1 1 1 -14 -16 36 o 95.988  3.5887  1120.94    83.584   1108.58    119.351  1132.83    117.092  95.173  5.1879  96.236  5.0319  -1.063049      7.227342 
1 1 1 -14 -16 37 o 182.431 4.5776  4058.47    202.627  3926.98    289.951  4183.97    283.282  178.935 6.6783  184.803 6.3175  -5.867355      9.192950 
1 1 1 -14 -16 38 o 36.244  4.6300  162.877    39.787   99.592     55.321   230.684    57.263   28.012  7.8334  43.063  5.6138  -15.05137      9.637222 
1 1 1 -14 -16 39 o 117.603 3.8014  1685.57    108.473  1646.20    155.521  1722.88    151.370  115.927 5.5289  118.651 5.2578  -2.723633      7.629769 
1 1 1 -14 -16 40 o 117.250 3.7707  1676.37    107.274  1671.31    153.819  1681.17    149.683  116.755 5.4296  117.135 5.2665  -0.3801422     7.564186 
1 1 1 -14 -16 41 o 72.467  3.6223  640.498    63.693   658.993    91.226   622.907    88.967   73.128  5.1747  71.084  5.1941  2.044594       7.331849 
1 1 1 -14 -16 42 o 97.935  3.6523  1170.67    86.789   1187.69    124.866  1154.75    120.715  98.192  5.2600  96.845  5.1557  1.346581       7.365351 
1 1 1 -14 -16 43 o 72.345  3.6641  640.872    64.109   661.566    91.434   620.861    89.913   73.174  5.1833  70.855  5.2675  2.319023       7.390051 
1 1 1 -14 -16 44 o 56.777  4.8663  399.004    66.392   350.439    83.427   482.882    109.640  52.712  6.6722  61.735  7.4714  -9.022789      10.01699 
1 1 1 -14 -16 45 o 51.432  4.9969  328.647    61.571   303.537    76.778   373.897    103.065  48.968  6.6326  53.927  8.1290  -4.959724      10.49154 
1 1 1 -14 -16 46 o 13.425  5.5920  5.3325     30.197   13.968     37.619   -10.3115   50.633   15.714  6.3588  15.733  6.9045  -0.1854992E-01 9.386494 
1 1 1 -14 -16 47 o 89.553  3.9163  983.006    85.098   1004.32    116.330  958.472    124.809  89.971  5.3529  87.678  5.9010  2.293266       7.967183 
1 1 1 -14 -16 48 o 100.216 3.9462  1231.70    95.958   1168.94    133.720  1298.33    137.781  96.904  5.7123  102.203 5.5771  -5.298843      7.983381 
1 1 1 -14 -16 49 o 80.871  4.0107  802.781    78.700   734.042    107.239  883.012    115.856  76.641  5.8099  84.137  5.7088  -7.495781      8.145261 
1 1 1 -14 -16 50 o 18.321  8.1987  -25.3786   74.908   -88.8429   130.967  5.4770     91.320   22.071  10.238  22.087  9.4838  -0.1527214E-01 13.95538 
1 1 1 -14 -16 51 o 15.941  7.4362  -59.9727   70.656   111.606    107.442  -190.7170  93.789   30.624  11.152  14.798  7.2962  15.82656       13.32662 
1 1 1 -14 -16 52 o 27.368  6.7305  98.166     44.384   50.767     56.266   176.240    72.213   21.818  8.0509  36.325  8.3657  -14.50665      11.61042 
1 1 1 -14 -16 53 o 11.444  5.3034  -28.1542   35.026   -39.6397   47.730   -14.7509   51.561   13.216  6.1470  15.436  6.8619  -2.220514      9.212565 
1 1 1 -14 -16 54 o 60.907  4.1493  460.358    60.955   478.692    84.433   440.403    88.089   61.507  5.7232  58.731  6.2787  2.775597       8.495702 
1 1 1 -14 -16 55 o 44.485  4.6269  248.475    49.211   244.191    67.246   253.414    72.209   43.366  6.5990  44.022  6.9941  -0.6564293     9.615845 
1 1 1 -14 -16 56 o 40.654  5.4120  211.045    52.059   221.187    66.701   195.237    83.271   41.010  6.9515  37.494  9.2178  3.515991       11.54521 
1 1 1 -14 -16 57 o 34.245  6.2522  153.617    50.037   104.235    63.375   235.351    81.533   27.771  8.5583  41.560  8.3746  -13.78924      11.97407 
1 1 1 -14 -16 58 o 55.777  4.6543  391.129    62.414   427.231    84.047   346.741    93.194   57.609  6.1058  50.939  7.7874  6.670197       9.895682 
1 1 1 -14 -16 59 o 16.674  6.8565  15.593     44.602   -22.5901   50.415   153.114    95.677   14.584  6.6082  32.830  10.570  -18.24652      12.46585 
1 1 1 -14 -16 60 o 22.973  7.3957  68.362     46.839   89.500     52.933   -7.9147    100.553  25.844  7.7934  21.686  9.6142  4.157410       12.37615 
1 1 1 -14 -16 61 o 75.186  4.3667  705.973    79.319   678.651    108.816  736.948    115.864  72.650  6.2333  75.629  6.3732  -2.978973      8.914685 
1 1 1 -14 -16 62 o 33.401  9.4734  157.582    80.317   14.709     296.920  168.861    83.428   33.707  15.557  34.498  9.6099  -0.7903328     18.28584 
1 1 1 -14 -16 63 o 29.844  11.115  117.466    107.736  150.044    268.732  111.227    117.601  36.170  15.889  29.742  11.487  6.427904       19.60641 
1 1 1 -14 -16 64 o 41.762  10.664  259.859    108.445  -220.1456  282.143  343.064    117.468  27.596  13.400  48.472  10.305  -20.87550      16.90462 
1 1 1 -14 -15 1  o 73.069  4.8413  652.687    85.348   791.068    134.359  559.076    110.507  80.180  6.9756  67.321  6.8610  12.85934       9.784339 
1 1 1 -14 -15 2  o 183.894 4.6482  4114.88    207.404  3788.51    307.248  4388.11    281.118  176.087 7.1911  189.697 6.1075  -13.60976      9.434711 
1 1 1 -14 -15 3  o 233.879 5.3665  6662.11    304.543  6578.02    444.384  6736.57    418.186  231.872 7.8985  234.784 7.3407  -2.912155      10.78299 
1 1 1 -14 -15 4  f 267.273 6.0121  8708.79    389.895  7765.52    564.527  9569.14    539.140  251.551 9.2490  279.659 7.9453  -28.10704      12.19307 
1 1 1 -14 -15 5  o 175.421 6.5721  3754.95    279.736  3754.95    279.736  0.0000     0.0000   175.421 6.5721  ?       ?       0.000000       6.572093 
1 1 1 -14 -15 6  o 197.538 6.9958  4765.10    335.314  4765.10    335.314  0.0000     0.0000   197.538 6.9958  ?       ?       0.000000       6.995807 
1 1 1 -14 -15 7  o 253.188 8.0624  7844.81    495.307  7767.37    722.514  7913.47    680.327  250.673 11.879  253.329 11.068  -2.656387      16.23599 
1 1 1 -14 -15 8  o 89.923  5.0810  987.506    110.408  853.488    172.329  1080.82    143.797  83.018  8.6835  93.922  6.3471  -10.90415      10.75585 
1 1 1 -14 -15 9  o 292.807 8.9961  10514.51   639.143  10529.99   926.303  10500.44   883.020  291.272 13.107  291.160 12.499  0.1117249      18.11099 
1 1 1 -14 -15 10 o 128.558 5.3936  2012.92    168.246  2226.95    257.217  1852.87    222.428  134.693 7.9049  122.896 7.4950  11.79776       10.89319 
1 1 1 -14 -15 11 o 183.463 4.4609  4094.40    198.577  4605.23    290.998  3649.22    271.660  194.334 6.1713  172.946 6.4737  21.38734       8.943913 
1 1 1 -14 -15 12 o 106.193 3.5385  1370.43    91.175   1519.34    138.136  1255.48    121.367  111.712 5.0962  101.561 4.9250  10.15094       7.087075 
1 1 1 -14 -15 13 o 134.357 3.8478  2194.44    125.442  2312.12    186.530  2097.28    169.494  137.761 5.5803  131.230 5.3230  6.531601       7.711965 
1 1 1 -14 -15 14 o 90.736  3.6199  1000.61    79.698   1073.45    127.398  953.781    102.156  93.697  5.6298  88.402  4.7803  5.295113       7.385559 
1 1 1 -14 -15 15 o 89.954  3.6727  983.480    80.161   1166.44    128.674  867.435    102.477  97.708  5.4492  84.264  5.0351  13.44345       7.419324 
1 1 1 -14 -15 16 o 143.625 4.0550  2508.18    141.315  2474.10    210.407  2536.19    190.736  142.449 6.0875  144.296 5.4477  -1.847885      8.169147 
1 1 1 -14 -15 17 f 108.253 4.8738  1426.26    128.019  0.0000     0.0000   1426.26    128.019  ?       ?       108.253 4.8738  0.000000       4.873834 
1 1 1 -14 -15 18 o 182.046 6.1955  4041.38    273.665  0.0000     0.0000   4041.38    273.665  ?       ?       182.046 6.1955  0.000000       6.195473 
1 1 1 -14 -15 19 o 134.024 5.2910  2187.38    172.062  0.0000     0.0000   2187.38    172.062  ?       ?       134.024 5.2910  0.000000       5.291010 
1 1 1 -14 -15 20 o 311.643 6.6850  11853.21   505.504  12677.41   718.847  11046.92   710.998  321.436 9.2167  299.845 9.7725  21.59088       13.43319 
1 1 1 -14 -15 21 o 80.380  3.3862  785.042    66.042   846.597    95.049   727.586    91.830   83.279  4.7232  77.161  4.9306  6.117867       6.827841 
1 1 1 -14 -15 22 o 253.100 5.5552  7803.69    341.158  7888.18    485.725  7721.43    479.279  253.939 7.8831  251.246 7.8619  2.692825       11.13338 
1 1 1 -14 -15 23 o 192.827 6.3896  4535.54    298.957  4324.54    411.560  4771.24    434.992  187.782 9.0327  197.229 9.0897  -9.446533      12.81447 
1 1 1 -14 -15 24 o 173.510 5.9558  3669.74    250.742  3344.26    343.277  4042.03    367.129  164.997 8.6042  181.690 8.3277  -16.69286      11.97426 
1 1 1 -14 -15 25 o 261.089 8.0722  8342.45    511.384  8560.59    710.686  8108.24    736.412  263.458 11.117  256.119 11.850  7.339661       16.24859 
1 1 1 -14 -15 26 o 219.287 4.9829  5853.48    265.131  5937.45    378.002  5772.18    371.974  220.482 7.0657  217.394 7.0518  3.087387       9.982619 
1 1 1 -14 -15 27 o 173.102 4.3937  3644.90    184.541  3666.21    263.952  3624.53    258.106  173.370 6.2746  172.397 6.1703  0.9730377      8.800164 
1 1 1 -14 -15 28 o 50.168  3.8519  307.760    46.530   451.130    67.720   179.544    64.042   60.714  4.6319  37.707  7.2631  23.00698       8.614368 
1 1 1 -14 -15 29 o 207.790 4.9658  5256.54    250.367  5194.75    356.515  5316.66    351.679  206.186 7.1261  208.628 6.9472  -2.442215      9.952154 
1 1 1 -14 -15 30 o 186.106 4.4913  4214.31    202.814  4198.57    289.656  4229.46    284.069  185.473 6.4363  186.180 6.2882  -0.7064362     8.998225 
1 1 1 -14 -15 31 o 251.907 8.0777  7774.04    493.734  7933.89    726.387  7636.77    673.139  253.084 11.829  248.581 11.160  4.503220       16.26256 
1 1 1 -14 -15 32 o 19.930  8.0004  22.894     59.035   -145.8160  108.344  94.137     70.405   18.231  8.7113  28.076  9.0703  -9.845251      12.57601 
1 1 1 -14 -15 33 o 110.733 5.6149  1499.13    150.368  1498.03    242.173  1499.82    191.825  109.997 9.1569  110.487 7.1946  -0.4905396     11.64518 
1 1 1 -14 -15 34 o 137.877 4.6552  2315.11    155.738  2252.34    194.144  2428.42    260.832  135.839 5.8903  140.548 7.6775  -4.708435      9.676739 
1 1 1 -14 -15 35 o 146.429 4.0838  2609.59    145.098  2578.38    207.515  2639.44    202.959  145.302 5.8859  147.044 5.6885  -1.742538      8.185523 
1 1 1 -14 -15 36 o 92.257  3.6097  1035.44    80.805   829.020    115.474  1233.51    113.114  82.167  5.8297  100.605 4.6337  -18.43828      7.446952 
1 1 1 -14 -15 37 o 148.966 4.1641  2703.31    150.510  2606.64    215.274  2795.76    210.514  145.938 6.0794  151.212 5.7376  -5.273743      8.359344 
1 1 1 -14 -15 38 o 37.440  4.6694  173.667    41.496   185.305    58.178   161.614    59.205   38.354  6.4824  35.648  7.0942  2.705772       9.609874 
1 1 1 -14 -15 39 o 20.386  6.1726  51.343     33.156   38.305     45.448   66.177     48.479   19.697  7.2408  23.423  7.5223  -3.725531      10.44097 
1 1 1 -14 -15 40 o 68.371  3.6517  571.376    60.360   586.000    85.950   557.145    84.786   68.987  5.1723  67.246  5.2377  1.741837       7.361105 
1 1 1 -14 -15 41 o 44.708  4.3212  246.518    46.292   205.085    62.169   298.077    69.352   40.272  6.5902  48.875  5.9723  -8.602329      8.893733 
1 1 1 -14 -15 42 o 80.750  3.7802  796.136    74.066   731.177    102.535  867.013    107.104  76.918  5.5309  83.853  5.2912  -6.935463      7.654242 
1 1 1 -14 -15 43 o 137.588 4.1457  2316.29    138.403  2180.78    196.408  2449.96    195.062  132.852 6.0930  140.971 5.7027  -8.119095      8.345368 
1 1 1 -14 -15 44 o 47.322  5.2296  278.933    59.044   323.830    73.441   196.872    99.288   50.815  6.0769  38.494  10.389  12.32094       12.03576 
1 1 1 -14 -15 45 o 46.056  5.2590  264.768    57.716   308.334    71.487   183.204    97.814   49.529  6.0759  37.108  10.430  12.42092       12.07059 
1 1 1 -14 -15 46 o 127.869 4.0612  2004.33    126.004  1956.90    179.715  2050.19    176.714  125.630 5.8956  128.699 5.6589  -3.068695      8.171978 
1 1 1 -14 -15 47 o 52.333  4.5698  339.324    57.446   297.398    72.502   410.041    94.161   48.501  6.3103  56.844  6.9732  -8.342880      9.404478 
1 1 1 -14 -15 48 o 25.275  6.7033  82.720     41.781   83.169     50.014   81.681     76.015   25.461  7.5523  26.554  9.4159  -1.092955      12.07052 
1 1 1 -14 -15 49 o 18.488  6.7270  35.817     39.083   28.523     46.130   54.369     73.573   18.481  7.1785  23.844  9.1169  -5.362444      11.60382 
1 1 1 -14 -15 50 f 21.592  9.1087  14.429     81.697   -179.9194  138.048  119.184    101.351  20.061  9.6501  31.073  10.886  -11.01210      14.54720 
1 1 1 -14 -15 51 o 30.129  8.8084  119.962    68.458   40.156     140.803  144.668    78.341   28.334  11.956  32.875  9.3672  -4.540159      15.18831 
1 1 1 -14 -15 52 o 36.015  5.3682  164.658    45.477   151.647    58.283   184.909    72.713   33.964  7.2903  37.262  8.2593  -3.297775      11.01657 
1 1 1 -14 -15 53 o 71.493  4.0112  631.771    69.303   567.260    96.258   701.197    99.858   66.973  5.9865  74.717  5.5477  -7.743980      8.161816 
1 1 1 -14 -15 54 o 16.514  6.3881  23.711     36.415   16.238     46.407   35.685     58.743   17.124  7.0122  20.463  8.0562  -3.338760      10.68054 
1 1 1 -14 -15 55 o 10.228  4.8475  -37.0851   32.202   -16.4874   40.906   -70.6497   52.218   13.409  6.0254  12.436  5.9703  0.9730263      8.482368 
1 1 1 -14 -15 56 o 48.402  5.0375  296.023    58.295   319.584    76.374   263.136    90.233   49.687  6.4899  43.907  8.7764  5.780106       10.91531 
1 1 1 -14 -15 57 o 32.720  6.5316  141.331    50.040   146.328    63.353   133.044    81.593   32.761  8.0318  30.996  9.7371  1.764223       12.62225 
1 1 1 -14 -15 58 o 36.559  6.3004  174.916    53.870   176.028    68.022   173.044    88.227   35.956  8.0029  34.894  9.9400  1.061287       12.76127 
1 1 1 -14 -15 59 o 40.421  6.2810  212.952    59.603   265.610    69.300   63.287     116.831  45.116  6.5196  26.921  11.087  18.19496       12.86171 
1 1 1 -14 -15 60 o 22.900  7.1503  68.377     44.074   58.174     53.915   88.928     76.519   22.133  7.9212  26.513  9.4422  -4.379803      12.32475 
1 1 1 -14 -15 61 o 45.382  5.2259  262.106    56.494   228.734    71.411   317.930    92.361   41.424  7.3751  48.577  8.1228  -7.152630      10.97141 
1 1 1 -14 -15 62 f 70.336  8.8511  673.188    147.712  676.063    311.744  672.356    167.736  58.251  19.103  69.003  10.337  -10.75163      21.72059 
1 1 1 -14 -15 63 o 12.611  6.3386  -241.4371  86.604   -424.7122  234.327  -212.4427  93.203   22.221  11.056  13.962  6.9508  8.259444       13.05933 
1 1 1 -14 -14 1  o 281.386 8.8741  9707.56    605.886  8811.05    874.970  10533.47   839.814  265.883 13.608  291.915 11.857  -26.03171      18.04882 
1 1 1 -14 -14 2  o 289.235 6.3038  10202.95   442.401  10028.27   640.149  10362.64   612.091  285.891 9.2282  290.808 8.6745  -4.916656      12.66518 
1 1 1 -14 -14 3  o 262.982 5.9315  8429.40    378.490  7632.88    548.498  9153.44    522.948  249.480 9.0610  273.560 7.8785  -24.07988      12.00713 
1 1 1 -14 -14 4  o 128.705 5.7557  2018.43    179.746  2018.43    179.746  0.0000     0.0000   128.705 5.7557  ?       ?       0.000000       5.755728 
1 1 1 -14 -14 5  o 201.958 7.0795  4980.91    346.919  4980.91    346.919  0.0000     0.0000   201.958 7.0795  ?       ?       0.000000       7.079525 
1 1 1 -14 -14 6  o 68.293  5.2101  571.116    85.682   571.116    85.682   0.0000     0.0000   68.293  5.2101  ?       ?       0.000000       5.210069 
1 1 1 -14 -14 7  o 132.242 3.8741  2125.86    124.309  2031.18    184.289  2204.91    168.383  129.097 5.8833  134.576 5.1567  -5.478653      7.823289 
1 1 1 -14 -14 8  o 205.352 6.9794  5149.04    347.762  5030.18    512.865  5250.21    473.150  201.890 10.506  206.814 9.4288  -4.923996      14.11642 
1 1 1 -14 -14 9  o 267.245 8.3953  8745.91    544.392  8645.04    791.500  8836.46    749.951  264.278 12.343  267.517 11.554  -3.238922      16.90676 
1 1 1 -14 -14 10 o 254.736 7.9781  7939.42    493.119  8393.67    718.893  7535.76    677.681  260.795 11.361  247.130 11.302  13.66528       16.02460 
1 1 1 -14 -14 11 o 104.215 3.5089  1319.81    88.728   1593.80    134.063  1106.24    118.359  114.439 4.8281  95.184  5.1439  19.25496       7.054759 
1 1 1 -14 -14 12 o 240.629 5.3541  7051.76    312.604  7819.66    451.863  6346.89    432.922  252.960 7.3619  227.789 7.8327  25.17168       10.74940 
1 1 1 -14 -14 13 o 127.340 3.7770  1971.03    116.700  2054.21    173.529  1902.35    157.684  129.859 5.5073  124.994 5.1991  4.864716       7.573696 
1 1 1 -14 -14 14 o 131.208 3.8997  2092.87    124.152  2019.06    185.673  2152.56    166.969  128.700 5.9457  132.963 5.1754  -4.262970      7.882655 
1 1 1 -14 -14 15 o 136.062 3.9633  2250.73    130.845  2393.02    195.398  2135.06    176.176  140.134 5.7466  132.392 5.4843  7.742065       7.943604 
1 1 1 -14 -14 16 o 239.103 7.4661  6987.80    433.156  0.0000     0.0000   6987.80    433.156  ?       ?       239.103 7.4661  0.000000       7.466114 
1 1 1 -14 -14 17 o 98.440  4.7829  1179.25    114.242  0.0000     0.0000   1179.25    114.242  ?       ?       98.440  4.7829  0.000000       4.782853 
1 1 1 -14 -14 18 o 271.355 8.2541  9014.32    543.462  0.0000     0.0000   9014.32    543.462  ?       ?       271.355 8.2541  0.000000       8.254051 
1 1 1 -14 -14 19 o 281.457 6.1439  9658.91    419.586  10414.75   596.950  8920.86    589.883  291.620 8.4364  269.718 9.0135  21.90250       12.34566 
1 1 1 -14 -14 20 o 214.624 4.9758  5606.72    259.123  5666.72    369.200  5548.47    363.770  215.414 7.0636  213.160 7.0333  2.253342       9.967999 
1 1 1 -14 -14 21 o 119.575 3.6661  1737.72    106.369  1752.10    152.262  1724.02    148.659  119.959 5.2311  119.000 5.1485  0.9585724      7.339720 
1 1 1 -14 -14 22 o 59.699  3.4741  434.529    50.107   454.822    71.927   415.396    69.842   60.937  4.9062  58.207  4.9934  2.729675       7.000346 
1 1 1 -14 -14 23 o 214.223 6.9472  5602.82    361.110  5722.93    498.652  5470.36    523.637  215.913 9.5182  210.902 10.233  5.010818       13.97503 
1 1 1 -14 -14 24 o 107.258 4.7956  1399.92    124.808  1127.38    167.049  1744.28    187.774  95.802  7.2397  119.401 6.5059  -23.59877      9.733444 
1 1 1 -14 -14 25 o 254.259 7.8574  7906.72    484.749  7784.60    672.084  8039.13    699.836  251.312 11.022  255.285 11.298  -3.973694      15.78368 
1 1 1 -14 -14 26 o 266.258 5.8074  8639.20    375.185  8525.29    533.543  8750.63    527.690  263.877 8.3331  267.399 8.1331  -3.522308      11.64417 
1 1 1 -14 -14 27 o 274.720 6.0249  9200.62    401.607  9189.07    570.859  9211.95    565.100  273.865 8.5907  274.237 8.4925  -0.3712158     12.07985 
1 1 1 -14 -14 28 o 148.746 4.0126  2690.13    144.822  2715.18    206.854  2666.04    202.824  149.270 5.7112  147.920 5.6510  1.350006       8.034401 
1 1 1 -14 -14 29 o 176.499 4.4270  3789.60    189.589  3694.79    270.232  3881.50    266.056  174.021 6.3999  178.403 6.1462  -4.381790      8.873223 
1 1 1 -14 -14 30 o 67.527  3.6082  555.803    58.906   498.921    82.581   614.727    84.049   63.773  5.3872  70.893  4.9165  -7.120281      7.293452 
1 1 1 -14 -14 31 o 258.326 8.3254  8178.02    521.842  7933.89    766.273  8389.18    712.634  252.859 12.489  260.552 11.272  -7.693237      16.82397 
1 1 1 -14 -14 32 o 70.645  5.6279  612.210    95.670   848.039    163.868  490.262    117.838  82.777  8.2694  62.789  7.9101  19.98769       11.44344 
1 1 1 -14 -14 33 o 81.053  5.4917  804.525    107.368  919.401    178.085  738.923    134.578  86.122  8.6386  77.385  7.2518  8.736885       11.27893 
1 1 1 -14 -14 34 o 258.197 5.6600  8132.43    354.597  8094.81    505.002  8169.01    498.023  256.863 8.1027  258.090 7.9527  -1.227325      11.35336 
1 1 1 -14 -14 35 f 62.423  3.7266  475.646    56.187   495.134    79.485   456.183    79.436   63.515  5.2033  60.915  5.4314  2.599838       7.521541 
1 1 1 -14 -14 36 o 73.464  3.6478  656.559    65.024   664.738    92.362   648.522    91.559   73.636  5.2029  72.725  5.2235  0.9111557      7.372556 
1 1 1 -14 -14 37 o 192.971 4.7834  4541.78    223.972  4454.23    319.934  4625.93    313.648  190.551 6.9197  194.270 6.6539  -3.718689      9.599768 
1 1 1 -14 -14 38 o 191.261 4.7538  4464.65    220.613  4304.80    314.717  4619.08    309.341  187.179 6.9295  194.015 6.5711  -6.835602      9.549687 
1 1 1 -14 -14 39 o 179.558 4.6712  3937.41    203.516  3770.70    289.954  4099.29    285.724  175.064 6.8260  182.670 6.4464  -7.606247      9.388861 
1 1 1 -14 -14 40 o 43.056  4.6164  229.105    47.476   188.120    62.520   284.930    72.967   38.494  6.9495  47.701  6.4713  -9.207497      9.495916 
1 1 1 -14 -14 41 o 117.311 3.9584  1679.86    112.673  1595.81    159.226  1764.17    159.462  113.803 5.7853  119.883 5.4820  -6.079994      7.970085 
1 1 1 -14 -14 42 o 68.447  3.8688  573.936    63.990   539.378    87.648   613.381    93.640   66.012  5.5229  70.423  5.5244  -4.410919      7.811567 
1 1 1 -14 -14 43 o 49.216  4.2666  298.659    50.447   321.483    67.347   269.481    76.146   50.804  5.5538  46.085  7.0324  4.719410       8.960999 
1 1 1 -14 -14 44 o 118.503 5.2628  1729.26    151.325  1724.14    197.978  1736.45    234.684  117.482 6.9764  117.206 8.3060  0.2767639      10.84714 
1 1 1 -14 -14 45 o 43.826  5.4514  240.519    56.717   257.809    69.690   206.604    97.608   45.098  6.5611  39.363  10.153  5.734993       12.08852 
1 1 1 -14 -14 46 o 63.811  4.0236  500.919    61.979   514.422    84.613   485.285    91.043   64.296  5.4758  62.246  6.1066  2.050346       8.202126 
1 1 1 -14 -14 47 f 88.286  4.0370  955.742    86.480   851.872    116.956  1081.04    128.453  82.673  5.8685  93.242  5.7051  -10.56952      8.184599 
1 1 1 -14 -14 48 o 45.163  4.9848  254.526    53.715   183.954    67.950   372.095    87.704   37.559  7.7143  54.142  6.8279  -16.58311      10.30195 
1 1 1 -14 -14 49 o 19.369  6.6869  43.101     38.178   46.095     48.496   38.220     61.914   20.710  7.4998  21.275  8.3018  -0.5658207     11.18775 
1 1 1 -14 -14 50 o 48.373  7.1332  300.374    81.211   381.519    158.477  271.477    94.573   52.062  12.666  45.274  8.9263  6.787598       15.49548 
1 1 1 -14 -14 51 o 27.575  9.7173  91.301     80.838   0.0000     0.0000   91.301     80.838   ?       ?       27.575  9.7173  0.000000       9.717300 
1 1 1 -14 -14 52 o 10.661  4.9790  -29.5325   31.824   -41.6698   37.896   -0.4964    58.614   11.221  5.3004  17.561  7.5699  -6.340211      9.241124 
1 1 1 -14 -14 53 f 45.866  4.6010  262.942    50.514   232.034    66.626   304.730    77.469   42.360  6.7055  48.646  6.7447  -6.286060      9.510711 
1 1 1 -14 -14 54 o 39.495  5.0378  197.212    47.178   195.170    60.447   200.395    75.465   38.725  6.6740  38.613  8.3015  0.1120796      10.65157 
1 1 1 -14 -14 55 o 45.376  4.6958  258.646    50.953   175.592    67.094   371.816    78.319   36.166  7.8694  53.920  6.0931  -17.75380      9.952540 
1 1 1 -14 -14 56 o 80.780  4.2521  811.513    83.049   800.581    114.450  823.672    120.698  79.289  5.9932  80.268  6.2464  -0.9789886     8.656537 
1 1 1 -14 -14 57 o 39.169  5.7580  197.726    53.091   179.980    67.211   227.173    86.580   36.493  7.8253  40.506  9.0386  -4.012409      11.95540 
1 1 1 -14 -14 58 o 25.138  7.4617  84.172     48.808   81.738     55.084   93.065     105.283  24.950  8.0190  28.243  10.880  -3.292915      13.51552 
1 1 1 -14 -14 59 o 51.799  5.6313  342.815    69.637   289.054    81.969   482.248    132.008  46.626  7.4997  59.057  9.5372  -12.43119      12.13274 
1 1 1 -14 -14 60 o 63.893  4.7111  512.362    72.522   376.778    95.883   693.625    110.865  53.295  7.6327  73.489  6.2776  -20.19424      9.882600 
1 1 1 -14 -14 61 o 14.253  6.0918  2.0009     37.364   -9.9270    43.759   34.103     71.788   14.363  6.3561  21.453  8.7459  -7.090315      10.81162 
1 1 1 -14 -14 62 o 56.026  10.305  445.794    134.929  422.027    291.520  452.274    152.215  47.101  18.115  55.288  11.711  -8.186684      21.57051 
1 1 1 -14 -14 63 o 32.183  14.736  24.885     259.123  24.885     259.123  0.0000     0.0000   32.183  14.736  ?       ?       0.000000       14.73553 
1 1 1 -14 -13 1  o 209.270 7.0944  5347.98    360.237  4960.83    525.921  5690.17    494.440  200.399 10.856  215.315 9.4640  -14.91609      14.40234 
1 1 1 -14 -13 2  o 98.438  3.9851  1178.02    95.184   989.541    178.435  1252.99    112.532  89.540  8.3076  101.489 4.5698  -11.94971      9.481535 
1 1 1 -14 -13 3  o 172.045 6.4873  3610.61    270.813  3610.61    270.813  0.0000     0.0000   172.045 6.4873  ?       ?       0.000000       6.487283 
1 1 1 -14 -13 4  o 62.252  7.0903  479.215    105.187  479.215    105.187  0.0000     0.0000   62.252  7.0903  ?       ?       0.000000       7.090294 
1 1 1 -14 -13 5  o 208.679 7.1976  5318.71    364.444  5318.71    364.444  0.0000     0.0000   208.679 7.1976  ?       ?       0.000000       7.197591 
1 1 1 -14 -13 6  o 95.714  3.8985  1113.64    90.540   1075.76    163.231  1130.48    108.814  93.570  7.2460  96.394  4.6523  -2.824028      8.610982 
1 1 1 -14 -13 7  f 192.928 4.6257  4528.38    216.539  4772.16    316.542  4313.97    296.869  197.767 6.5965  188.048 6.5063  9.719284       9.265281 
1 1 1 -14 -13 8  o 201.536 6.7684  4957.45    330.981  5369.99    489.171  4609.12    449.497  209.108 9.6411  193.747 9.5615  15.36061       13.57841 
1 1 1 -14 -13 9  o 160.051 5.9600  3122.40    231.455  3337.31    347.360  2950.79    310.403  164.805 8.7175  155.039 8.2812  9.766617       12.02387 
1 1 1 -14 -13 10 o 219.600 7.3040  5891.78    389.183  5738.74    571.463  6024.16    531.485  215.521 10.964  221.407 9.8932  -5.886581      14.76770 
1 1 1 -14 -13 11 o 194.196 4.7130  4588.62    222.075  4434.11    323.067  4727.03    305.770  190.565 6.9869  196.860 6.4014  -6.294846      9.475991 
1 1 1 -14 -13 12 o 105.702 3.5612  1357.76    91.335   1445.79    137.150  1287.60    122.434  108.973 5.1870  102.858 4.9057  6.115074       7.139344 
1 1 1 -14 -13 13 o 103.109 3.5506  1291.94    88.830   1589.61    134.385  1060.95    118.382  114.291 4.8459  93.199  5.2564  21.09161       7.149281 
1 1 1 -14 -13 14 f 99.446  4.0644  1202.41    98.074   1304.63    191.251  1165.94    114.238  103.017 7.7070  97.884  4.8099  5.132988       9.084765 
1 1 1 -14 -13 15 f 112.495 4.9617  1540.30    135.435  0.0000     0.0000   1540.30    135.435  ?       ?       112.495 4.9617  0.000000       4.961723 
1 1 1 -14 -13 16 o 205.057 6.7573  5132.01    336.211  0.0000     0.0000   5132.01    336.211  ?       ?       205.057 6.7573  0.000000       6.757293 
1 1 1 -14 -13 17 o 219.252 7.0695  5870.48    376.091  0.0000     0.0000   5870.48    376.091  ?       ?       219.252 7.0695  0.000000       7.069455 
1 1 1 -14 -13 18 o 164.180 4.2768  3278.09    170.373  3559.08    244.117  3011.25    237.892  170.887 5.8874  157.142 6.2391  13.74519       8.578352 
1 1 1 -14 -13 19 o 211.844 4.9154  5461.91    252.663  5621.72    359.978  5306.73    354.718  214.588 6.9137  208.471 7.0125  6.117081       9.847539 
1 1 1 -14 -13 20 o 199.558 4.7918  4845.89    232.022  5063.08    330.612  4635.09    325.700  203.692 6.6893  194.858 6.8887  8.833588       9.602118 
1 1 1 -14 -13 21 o 82.364  3.4237  824.275    68.421   888.248    97.785   762.909    95.772   85.310  4.7427  79.012  5.0216  6.298370       6.907213 
1 1 1 -14 -13 22 o 217.407 5.0708  5753.42    267.496  5841.88    380.497  5666.97    376.135  218.710 7.1700  215.406 7.1965  3.304199       10.15867 
1 1 1 -14 -13 23 o 43.947  5.2187  238.407    54.561   193.012    70.648   305.493    85.884   39.066  7.7269  49.476  7.3798  -10.41051      10.68490 
1 1 1 -14 -13 24 o 180.322 6.2411  3964.67    273.069  4034.27    373.296  3884.55    400.491  181.515 8.4757  177.710 9.3204  3.805725       12.59793 
1 1 1 -14 -13 25 o 95.773  4.8460  1119.01    112.247  1120.61    149.016  1116.90    170.659  95.637  6.4595  95.326  7.4371  0.3103409      9.850632 
1 1 1 -14 -13 26 o 207.740 4.9726  5252.49    250.648  5178.40    356.508  5324.92    352.467  205.921 7.1352  208.848 6.9554  -2.926865      9.964383 
1 1 1 -14 -13 27 o 225.071 5.2080  6167.57    284.415  6075.47    404.614  6257.52    399.874  222.966 7.4789  226.325 7.2816  -3.358627      10.43819 
1 1 1 -14 -13 28 o 280.604 6.0624  9599.22    412.763  9622.24    586.558  9576.64    580.953  280.244 8.6260  279.599 8.5633  0.6450195      12.15478 
1 1 1 -14 -13 29 o 80.490  3.6085  787.370    70.475   727.611    100.978  844.124    98.406   77.100  5.4324  83.135  4.9000  -6.034958      7.315813 
1 1 1 -14 -13 30 o 13.771  5.7296  4.8413     31.653   -14.2875   43.384   26.613     46.284   14.322  6.3340  18.572  7.1969  -4.249744      9.587244 
1 1 1 -14 -13 31 o 152.325 6.1279  2830.12    226.490  2661.58    347.853  2954.16    298.411  146.791 9.8230  155.146 7.9538  -8.355011      12.63938 
1 1 1 -14 -13 32 o 156.230 6.1764  2978.02    234.134  3043.69    360.757  2930.24    307.755  157.059 9.5113  154.418 8.2436  2.641418       12.58658 
1 1 1 -14 -13 33 o 119.885 5.6954  1752.56    165.673  1855.01    264.161  1686.14    212.706  122.570 8.9440  117.135 7.5237  5.435257       11.68763 
1 1 1 -14 -13 34 o 159.272 4.2620  3087.01    164.711  3141.51    235.419  3034.75    230.530  160.424 6.0479  157.678 6.0255  2.746078       8.537208 
1 1 1 -14 -13 35 o 238.393 5.4706  6932.54    316.443  6657.77    450.201  7200.85    444.882  232.911 7.9662  242.361 7.5652  -9.449661      10.98599 
1 1 1 -14 -13 36 o 148.486 4.2340  2684.58    152.545  2625.83    216.223  2742.80    215.242  146.571 6.0798  149.829 5.9206  -3.257950      8.486346 
1 1 1 -14 -13 37 o 116.648 3.8720  1656.45    109.590  1587.71    154.462  1726.13    155.512  113.991 5.5845  118.885 5.3910  -4.893898      7.762093 
1 1 1 -14 -13 38 o 83.496  3.7580  848.928    76.135   755.096    105.059  952.708    110.488  78.383  5.5600  88.156  5.1882  -9.773071      7.604677 
1 1 1 -14 -13 39 f 146.073 4.2220  2602.50    149.642  2474.77    212.259  2728.72    210.998  142.017 6.1597  149.214 5.8278  -7.196915      8.479736 
1 1 1 -14 -13 40 o 89.484  3.7916  976.255    82.326   947.760    114.865  1006.35    118.053  87.781  5.4194  90.468  5.4027  -2.686203      7.652361 
1 1 1 -14 -13 41 o 63.016  3.9298  486.510    59.787   470.508    80.965   505.699    88.662   61.683  5.4662  63.896  5.7814  -2.212673      7.956397 
1 1 1 -14 -13 42 o 51.559  4.2792  327.291    53.050   270.482    71.070   398.774    79.722   46.364  6.4958  56.609  5.8902  -10.24559      8.768703 
1 1 1 -14 -13 43 o 34.967  5.1684  153.383    42.530   179.794    54.386   111.808    68.236   37.686  6.1605  29.570  8.8331  8.116430       10.76917 
1 1 1 -14 -13 44 o 44.551  5.4417  248.079    57.602   224.402    70.645   295.042    99.494   41.879  7.2124  47.611  8.9408  -5.731544      11.48725 
1 1 1 -14 -13 45 o 93.266  4.9820  1073.50    112.334  1064.53    144.215  1087.32    179.131  92.338  6.4777  92.625  8.0505  -0.2862396     10.33299 
1 1 1 -14 -13 46 o 80.545  3.7467  793.935    73.224   728.185    104.312  857.808    102.813  76.519  5.6583  83.264  5.1137  -6.744301      7.626700 
1 1 1 -14 -13 47 o 36.109  5.4328  164.581    46.125   106.894    59.547   251.118    72.932   28.675  8.1653  44.302  7.0186  -15.62681      10.76720 
1 1 1 -14 -13 48 o 102.929 3.9775  1299.07    99.338   1215.83    139.262  1385.30    141.742  98.817  5.8340  105.627 5.5499  -6.809830      8.052145 
1 1 1 -14 -13 49 o 52.266  4.4707  338.475    56.152   255.659    74.392   448.137    85.604   44.617  7.1104  59.744  5.9858  -15.12689      9.294445 
1 1 1 -14 -13 50 o 87.912  6.1677  969.031    130.730  930.470    235.887  986.126    157.055  82.487  12.150  88.059  7.4196  -5.572464      14.23602 
1 1 1 -14 -13 51 o 84.887  6.1665  905.818    126.145  843.795    234.175  931.173    149.725  77.634  12.883  85.491  7.2874  -7.857018      14.80147 
1 1 1 -14 -13 52 o 31.880  6.0056  131.087    44.751   45.068     57.577   262.338    71.122   21.358  8.0893  45.172  6.6912  -23.81408      10.49808 
1 1 1 -14 -13 53 o 37.859  5.1831  181.495    46.362   165.041    60.322   205.244    72.468   35.402  7.2658  39.353  7.8644  -3.950714      10.70702 
1 1 1 -14 -13 54 o 67.764  4.1137  569.131    67.319   488.484    90.818   667.481    100.292  61.961  6.1207  72.707  5.7314  -10.74600      8.385211 
1 1 1 -14 -13 55 o 27.673  6.4181  100.908    42.258   105.826    51.914   91.249     72.751   28.135  7.4769  26.798  9.2319  1.336681       11.87991 
1 1 1 -14 -13 56 o 78.016  4.3996  758.353    82.943   656.765    111.332  885.074    124.343  71.485  6.4893  83.253  6.1999  -11.76804      8.974957 
1 1 1 -14 -13 57 o 33.796  6.4297  150.122    50.799   145.715    60.150   161.085    94.865   32.827  7.6870  33.736  10.483  -0.9088898     12.99950 
1 1 1 -14 -13 58 o 34.018  6.9083  153.807    55.076   154.327    60.339   151.208    134.846  33.832  7.5426  33.376  12.434  0.4568596      14.54287 
1 1 1 -14 -13 59 o 28.087  7.3856  106.262    51.003   96.086     55.704   159.028    126.851  26.741  7.9792  33.760  12.143  -7.018503      14.52989 
1 1 1 -14 -13 60 o 47.158  5.1428  282.038    57.891   308.197    73.038   237.831    94.947   48.806  6.3157  41.130  9.6758  7.675961       11.55458 
1 1 1 -14 -13 61 o 28.412  7.0189  108.211    48.105   55.095     58.394   220.377    84.857   22.138  8.1952  39.867  8.9871  -17.72850      12.16264 
1 1 1 -14 -13 62 o 29.017  10.731  107.928    100.068  289.485    264.582  77.622     108.097  41.701  16.867  27.213  10.860  14.48858       20.06123 
1 1 1 -14 -13 63 o 32.929  14.951  53.681     259.694  53.681     259.694  0.0000     0.0000   32.929  14.951  ?       ?       0.000000       14.95129 
1 1 1 -14 -12 1  o 158.196 5.9204  3049.74    227.253  3011.24    334.784  3082.64    309.473  156.522 8.8513  158.544 8.0714  -2.021759      11.97887 
1 1 1 -14 -12 2  o 172.971 9.0817  3677.72    379.825  3677.72    379.825  0.0000     0.0000   172.971 9.0817  ?       ?       0.000000       9.081703 
1 1 1 -14 -12 3  o 208.704 7.2240  5319.68    365.822  5319.68    365.822  0.0000     0.0000   208.704 7.2240  ?       ?       0.000000       7.223953 
1 1 1 -14 -12 4  o 47.412  5.4626  277.353    61.693   277.353    61.693   0.0000     0.0000   47.412  5.4626  ?       ?       0.000000       5.462555 
1 1 1 -14 -12 5  o 196.314 4.8040  4689.54    228.831  4133.72    334.280  5179.69    313.912  183.922 7.4905  206.102 6.2771  -22.17973      9.772959 
1 1 1 -14 -12 6  o 20.631  4.7589  53.865     23.337   110.651    40.153   24.898     28.678   29.630  5.7926  15.846  5.7628  13.78366       8.170931 
1 1 1 -14 -12 7  o 134.049 3.8185  2184.18    124.201  2380.40    184.603  2021.91    167.878  139.805 5.4419  128.855 5.3695  10.95018       7.644984 
1 1 1 -14 -12 8  o 455.633 18.941  26357.78   2094.04  0.0000     0.0000   26357.78   2094.04  ?       ?       455.633 18.941  0.000000       18.94112 
1 1 1 -14 -12 9  o 120.669 5.3661  1773.09    157.114  1788.02    240.989  1762.05    207.203  120.591 8.2863  119.911 7.1541  0.6794586      10.94734 
1 1 1 -14 -12 10 o 119.444 5.3687  1737.24    155.597  1635.03    237.519  1814.07    205.938  115.244 8.5551  121.703 7.0034  -6.458221      11.05610 
1 1 1 -14 -12 11 o 279.453 6.9691  9532.76    472.550  9608.06    827.387  9496.30    575.680  278.785 12.231  278.497 8.5192  0.2878113      14.90579 
1 1 1 -14 -12 12 o 130.292 3.7846  2063.25    119.645  2081.34    171.324  2046.02    167.161  130.739 5.4007  129.633 5.3144  1.106430       7.576944 
1 1 1 -14 -12 13 o 79.347  3.3054  764.884    63.638   800.294    91.278   731.395    88.769   80.974  4.6655  77.390  4.7503  3.584915       6.658222 
1 1 1 -14 -12 14 o 134.417 5.3480  2199.91    174.426  0.0000     0.0000   2199.91    174.426  ?       ?       134.417 5.3480  0.000000       5.348047 
1 1 1 -14 -12 15 o 284.049 8.6578  9881.61    596.714  0.0000     0.0000   9881.61    596.714  ?       ?       284.049 8.6578  0.000000       8.657845 
1 1 1 -14 -12 16 o 121.676 5.2074  1802.36    153.740  0.0000     0.0000   1802.36    153.740  ?       ?       121.676 5.2074  0.000000       5.207362 
1 1 1 -14 -12 17 o 128.919 3.8524  2020.21    120.507  2144.18    172.720  1902.63    168.216  132.697 5.3644  124.984 5.5469  7.713501       7.716498 
1 1 1 -14 -12 18 o 454.398 9.2913  25329.97   1024.42  25270.54   1451.64  25388.92   1445.86  451.288 13.257  452.409 13.171  -1.120544      18.68770 
1 1 1 -14 -12 19 o 131.872 3.8186  2113.80    122.188  2045.43    173.984  2180.34    171.638  129.587 5.5333  133.816 5.2862  -4.228577      7.652520 
1 1 1 -14 -12 20 o 33.555  4.5063  139.398    35.762   97.900     50.445   181.327    50.706   27.817  7.3598  38.175  5.6443  -10.35789      9.275000 
1 1 1 -14 -12 21 o 193.334 4.7335  4547.79    222.052  4536.86    315.667  4558.51    312.416  192.815 6.7472  193.289 6.6614  -0.4737396     9.481483 
1 1 1 -14 -12 22 o 56.609  3.6536  391.060    49.917   432.045    71.406   351.888    69.809   59.372  5.0033  53.480  5.4561  5.892200       7.402851 
1 1 1 -14 -12 23 o 225.467 7.3205  6209.49    400.488  6605.50    552.536  5771.16    581.311  231.919 9.8189  216.135 11.122  15.78319       14.83627 
1 1 1 -14 -12 24 f 170.068 5.9384  3524.70    245.053  3160.88    332.667  3956.33    362.346  160.442 8.5764  179.798 8.3057  -19.35596      11.93894 
1 1 1 -14 -12 25 o 143.830 5.5101  2519.44    192.298  2440.40    259.004  2616.52    287.054  141.113 7.5924  146.023 8.1340  -4.910660      11.12683 
1 1 1 -14 -12 26 o 114.289 3.7391  1587.52    103.689  1743.27    147.586  1435.71    145.709  119.674 5.0825  108.430 5.5569  11.24411       7.530710 
1 1 1 -14 -12 27 o 70.052  3.6415  597.969    61.683   681.383    86.874   513.164    87.595   74.677  4.8202  64.662  5.6394  10.01483       7.418725 
1 1 1 -14 -12 28 o 126.978 3.9165  1960.00    120.669  1890.07    171.722  2028.21    169.600  124.554 5.6820  129.051 5.4163  -4.496147      7.849932 
1 1 1 -14 -12 29 o 140.401 3.9996  2396.62    136.255  2385.36    194.521  2407.46    190.917  139.915 5.7298  140.576 5.5972  -0.6608276     8.009899 
1 1 1 -14 -12 30 o 155.277 4.2324  2932.30    159.463  2966.90    227.313  2898.77    223.758  155.999 6.0054  154.200 5.9804  1.798508       8.475232 
1 1 1 -14 -12 31 o 123.011 5.8775  1844.68    175.427  1736.08    271.703  1922.32    229.729  118.503 9.5300  125.145 7.6015  -6.642563      12.19028 
1 1 1 -14 -12 32 o 240.257 8.0563  7069.65    469.651  6626.45    692.566  7446.98    639.034  230.805 12.412  245.695 10.719  -14.89011      16.40015 
1 1 1 -14 -12 33 o 151.742 6.4046  2811.21    235.812  2520.73    355.608  3039.20    315.041  142.611 10.347  157.230 8.2871  -14.61931      13.25671 
1 1 1 -14 -12 34 o 187.231 4.7051  4268.54    213.752  4155.64    303.102  4380.23    301.487  184.377 6.7751  189.338 6.5625  -4.960724      9.432303 
1 1 1 -14 -12 35 o 229.844 5.3234  6441.94    296.887  6206.04    422.263  6672.54    417.499  224.961 7.7359  233.378 7.3728  -8.416260      10.68656 
1 1 1 -14 -12 36 o 217.969 6.0428  5806.13    319.593  5925.25    390.527  5564.60    556.105  219.821 7.3218  211.417 10.877  8.404022       13.11214 
1 1 1 -14 -12 37 o 220.441 5.1422  5930.97    275.045  5885.93    391.998  5974.65    386.017  218.910 7.3800  220.615 7.2112  -1.704910      10.31820 
1 1 1 -14 -12 38 o 96.595  3.8598  1136.40    90.465   1147.79    125.674  1124.15    130.327  96.757  5.3742  95.701  5.6373  1.055336       7.788531 
1 1 1 -14 -12 39 o 73.623  3.8574  662.315    68.668   634.682    93.948   694.010    100.617  71.813  5.4319  75.086  5.5622  -3.273727      7.774538 
1 1 1 -14 -12 40 o 74.517  3.9522  679.159    71.203   696.848    97.734   659.149    103.947  75.227  5.3901  73.041  5.9160  2.185417       8.003248 
1 1 1 -14 -12 41 o 31.614  5.6609  126.355    41.829   139.894    53.957   105.964    66.218   33.051  6.9487  28.958  8.7131  4.093292       11.14468 
1 1 1 -14 -12 42 o 105.944 3.9129  1370.91    100.587  1286.94    140.781  1458.48    143.768  102.112 5.7048  108.936 5.4391  -6.823990      7.882186 
1 1 1 -14 -12 43 o 84.276  4.4496  872.377    90.666   835.976    109.003  954.105    163.331  82.228  5.4949  87.070  7.8142  -4.841454      9.552816 
1 1 1 -14 -12 44 o 64.261  4.9550  510.501    76.665   471.310    95.806   580.274    127.833  61.303  6.5420  67.605  7.9444  -6.302231      10.29127 
1 1 1 -14 -12 45 o 18.258  6.7512  33.086     39.607   45.200     46.694   2.0160     74.781   20.504  7.3681  20.101  8.6053  0.4030132      11.32875 
1 1 1 -14 -12 46 o 57.480  4.0221  406.757    55.742   377.893    76.562   439.317    81.316   54.947  5.8316  59.321  5.7203  -4.373749      8.168841 
1 1 1 -14 -12 47 o 65.299  4.1613  525.121    65.588   604.773    91.063   439.258    94.547   69.747  5.4235  58.969  6.7283  10.77749       8.642053 
1 1 1 -14 -12 48 o 13.293  5.8726  -10.4326   37.202   -54.5464   49.496   46.849     56.401   12.822  6.0568  21.581  8.0412  -8.759599      10.06706 
1 1 1 -14 -12 49 o 28.053  8.8314  100.644    67.080   191.186    142.962  75.081     75.962   38.046  12.946  25.906  9.3856  12.13978       15.99002 
1 1 1 -14 -12 50 o 29.075  8.8397  110.072    67.898   377.699    146.771  37.203     76.586   52.203  11.857  22.681  9.1097  29.52162       14.95272 
1 1 1 -14 -12 51 o 39.713  5.3670  199.156    50.392   202.460    62.220   192.858    85.911   39.633  6.7095  37.807  9.4039  1.825645       11.55211 
1 1 1 -14 -12 52 o 37.976  5.3077  182.596    47.571   199.477    60.655   155.618    76.677   39.311  6.5923  33.956  9.1152  5.355373       11.24926 
1 1 1 -14 -12 53 o 50.658  4.8467  321.253    58.848   243.869    75.331   442.423    94.264   43.141  7.4668  58.755  6.7336  -15.61416      10.05456 
1 1 1 -14 -12 54 o 13.980  5.9572  1.8473     35.537   15.822     39.983   -50.7126   77.541   16.139  6.5469  17.204  7.9435  -1.064322      10.29374 
1 1 1 -14 -12 55 o 46.883  5.0335  277.344    56.364   247.427    71.727   325.641    91.133   43.468  7.0416  49.598  7.8327  -6.130360      10.53257 
1 1 1 -14 -12 56 o 67.226  4.5182  564.510    73.272   548.808    94.887   587.702    115.322  65.553  6.0333  67.171  7.1871  -1.618294      9.383778 
1 1 1 -14 -12 57 o 72.076  4.5273  649.272    78.773   538.459    103.049  805.053    122.183  64.501  6.6812  79.163  6.4162  -14.66127      9.263186 
1 1 1 -14 -12 58 o 41.992  6.4002  229.600    63.149   197.290    70.203   366.587    144.552  38.246  7.8285  49.583  12.118  -11.33734      14.42640 
1 1 1 -14 -12 59 o 37.821  6.5219  187.436    57.690   198.992    63.390   131.707    139.206  38.795  6.9914  32.305  12.492  6.489731       14.31506 
1 1 1 -14 -12 60 o 25.013  6.9634  83.193     43.819   87.694     50.080   68.495     90.503   25.648  7.5440  25.651  10.029  -0.2874374E-02 12.54988 
1 1 1 -14 -12 61 o 18.578  6.9217  36.262     41.788   40.138     47.910   23.936     85.434   19.641  7.3929  22.068  9.3123  -2.427160      11.89005 
1 1 1 -14 -12 62 o 24.773  12.068  -266.7523  233.809  -266.7523  233.809  0.0000     0.0000   24.773  12.068  ?       ?       0.000000       12.06782 
1 1 1 -14 -12 63 o 41.448  18.226  302.144    354.378  302.144    354.378  0.0000     0.0000   41.448  18.226  ?       ?       0.000000       18.22624 
1 1 1 -14 -11 1  o 220.783 10.491  5995.67    562.000  5995.67    562.000  0.0000     0.0000   220.783 10.491  ?       ?       0.000000       10.49076 
1 1 1 -14 -11 2  o 239.389 11.020  7059.19    640.091  7059.19    640.091  0.0000     0.0000   239.389 11.020  ?       ?       0.000000       11.01978 
1 1 1 -14 -11 3  o 88.232  5.2251  951.032    111.363  951.032    111.363  0.0000     0.0000   88.232  5.2251  ?       ?       0.000000       5.225062 
1 1 1 -14 -11 4  o 154.007 4.2301  2884.11    158.074  2233.60    233.511  3434.37    214.764  135.058 7.1511  167.952 5.2700  -32.89346      8.883213 
1 1 1 -14 -11 5  o 88.020  3.3807  941.322    72.202   964.601    110.623  924.046    95.300   88.868  5.1523  87.041  4.5280  1.826851       6.859232 
1 1 1 -14 -11 6  o 234.494 6.0323  6702.11    343.227  6854.94    604.203  6629.29    417.052  236.032 10.550  232.950 7.3784  3.082092       12.87406 
1 1 1 -14 -11 7  o 280.705 6.0909  9604.24    414.854  9672.67    597.355  9540.48    576.580  281.004 8.7610  279.152 8.5124  1.851959       12.21545 
1 1 1 -14 -11 8  o 39.138  5.9261  190.813    54.516   190.826    92.161   190.806    67.614   38.689  9.8049  38.886  7.4371  -0.1968613     12.30637 
1 1 1 -14 -11 9  f 130.341 5.5176  2068.79    174.501  2064.65    266.569  2071.90    230.833  129.604 8.5243  130.049 7.3453  -0.4449158     11.25237 
1 1 1 -14 -11 10 o 326.164 9.8231  13057.33   777.403  13074.86   1122.74  13041.20   1077.48  324.309 14.268  324.197 13.697  0.1116638      19.77847 
1 1 1 -14 -11 11 o 288.164 6.1879  10120.62   432.663  10597.97   615.612  9654.68    608.211  294.248 8.6224  280.759 8.9281  13.48978       12.41194 
1 1 1 -14 -11 12 o 96.483  3.3829  1130.92    79.196   1147.81    113.549  1114.91    110.513  97.133  4.8179  95.734  4.7576  1.398819       6.770983 
1 1 1 -14 -11 13 f 99.175  4.8061  1196.57    115.655  0.0000     0.0000   1196.57    115.655  ?       ?       99.175  4.8061  0.000000       4.806134 
1 1 1 -14 -11 14 o 294.883 8.8664  10649.13   634.393  0.0000     0.0000   10649.13   634.393  ?       ?       294.883 8.8664  0.000000       8.866352 
1 1 1 -14 -11 15 o 316.051 9.4319  12249.20   723.304  0.0000     0.0000   12249.20   723.304  ?       ?       316.051 9.4319  0.000000       9.431908 
1 1 1 -14 -11 16 o 136.204 3.9664  2255.03    131.084  2463.55    188.129  2058.27    182.750  142.241 5.4509  129.984 5.7943  12.25623       7.955257 
1 1 1 -14 -11 17 o 24.641  6.3739  76.808     38.396   168.363    60.285   14.320     49.804   36.530  7.0569  17.863  7.2837  18.66698       10.14163 
1 1 1 -14 -11 18 o 293.039 6.3501  10470.98   451.514  10605.79   641.072  10338.29   636.033  294.176 8.9812  290.427 9.0256  3.748169       12.73283 
1 1 1 -14 -11 19 o 235.008 5.3557  6724.90    305.398  6830.32    433.972  6621.47    429.854  236.415 7.5653  232.762 7.6111  3.652618       10.73132 
1 1 1 -14 -11 20 o 87.898  3.5260  938.828    75.202   1000.69    106.780  877.947    105.928  90.552  4.8779  84.766  5.1750  5.785713       7.111559 
1 1 1 -14 -11 21 o 147.518 4.1127  2645.84    147.209  2784.85    209.893  2511.27    206.517  151.191 5.7215  143.551 5.9291  7.640320       8.239476 
1 1 1 -14 -11 22 o 96.701  3.5966  1136.34    84.388   1147.34    120.127  1125.64    118.575  96.952  5.1246  96.030  5.1072  0.9218369      7.235036 
1 1 1 -14 -11 23 o 251.305 7.8016  7720.58    475.714  7448.27    656.618  8021.41    690.157  245.910 11.005  255.145 11.148  -9.235626      15.66456 
1 1 1 -14 -11 24 o 224.539 7.1527  6155.95    389.699  5795.86    535.448  6561.51    568.248  217.170 10.161  231.077 10.135  -13.90720      14.35165 
1 1 1 -14 -11 25 o 267.869 8.2342  8779.18    535.188  8628.49    740.057  8944.40    774.885  264.491 11.532  269.160 11.865  -4.668976      16.54550 
1 1 1 -14 -11 26 f 235.475 5.2897  6750.68    302.230  6914.05    429.702  6590.74    425.171  237.899 7.4441  232.248 7.5448  5.650604       10.59896 
1 1 1 -14 -11 27 o 185.171 4.5533  4170.79    204.580  4282.09    291.478  4062.73    287.210  187.384 6.4107  182.510 6.4856  4.873749       9.119217 
1 1 1 -14 -11 28 o 96.510  3.6471  1131.94    85.406   1168.60    122.071  1096.79    119.533  97.842  5.1601  94.773  5.2181  3.069191       7.338662 
1 1 1 -14 -11 29 o 237.228 5.4002  6853.61    310.843  6770.61    441.302  6935.35    437.914  235.319 7.7288  238.201 7.5767  -2.881622      10.82321 
1 1 1 -14 -11 30 o 218.885 5.2400  5833.96    278.297  5604.50    394.892  6060.38    392.266  214.105 7.6013  222.717 7.2588  -8.612976      10.51044 
1 1 1 -14 -11 31 o 96.804  5.8315  1146.34    136.336  1152.26    208.981  1141.96    179.890  96.505  9.0296  96.314  7.7635  0.1915665      11.90823 
1 1 1 -14 -11 32 o 216.100 7.6293  5713.23    400.039  5003.73    595.362  6297.22    540.143  200.555 12.294  226.251 9.8391  -25.69617      15.74623 
1 1 1 -14 -11 33 o 189.596 7.0107  4393.83    322.518  4128.24    483.087  4607.40    433.198  182.487 10.961  193.623 9.2207  -11.13629      14.32355 
1 1 1 -14 -11 34 o 139.764 4.1096  2376.43    139.367  2266.38    196.610  2487.57    197.582  136.284 5.9456  142.813 5.7019  -6.528687      8.237817 
1 1 1 -14 -11 35 f 293.613 6.4209  10536.08   457.438  10142.40   650.351  10921.56   643.534  286.904 9.3421  297.931 8.9021  -11.02728      12.90436 
1 1 1 -14 -11 36 o 33.368  6.3840  140.657    49.805   105.271    58.571   233.049    94.641   28.857  8.0568  42.648  9.3991  -13.79029      12.37959 
1 1 1 -14 -11 37 o 167.119 4.4471  3403.57    180.331  3295.09    256.347  3509.83    253.726  164.031 6.4408  169.356 6.1745  -5.324677      8.922322 
1 1 1 -14 -11 38 o 113.496 3.9537  1569.17    108.881  1495.17    152.398  1646.33    155.614  110.400 5.7086  116.028 5.5274  -5.627487      7.946112 
1 1 1 -14 -11 39 o 64.862  3.9830  514.753    62.382   438.103    84.698   605.632    92.225   59.490  5.9474  70.133  5.4626  -10.64336      8.075410 
1 1 1 -14 -11 40 o 156.464 4.3162  2989.12    163.862  3024.69    234.952  2955.43    228.649  156.870 6.1727  155.094 6.0759  1.775253       8.661345 
1 1 1 -14 -11 41 o 45.443  4.2601  254.492    46.426   247.693    63.962   262.062    67.493   44.468  6.0879  45.725  6.2468  -1.256931      8.722677 
1 1 1 -14 -11 42 o 59.710  3.9683  437.432    57.165   451.960    79.628   421.981    82.117   60.394  5.4939  58.247  5.8912  2.146984       8.055396 
1 1 1 -14 -11 43 o 60.549  5.0631  453.413    73.703   444.058    91.454   470.747    124.487  59.572  6.4289  60.622  8.7135  -1.049793      10.82850 
1 1 1 -14 -11 44 o 36.652  6.1240  170.474    52.541   204.840    63.354   94.775     94.028   40.091  6.7526  29.027  10.453  11.06421       12.44448 
1 1 1 -14 -11 45 o 60.213  5.0743  449.464    73.446   473.219    91.073   405.278    124.209  61.483  6.1889  55.679  9.5369  5.804363       11.36904 
1 1 1 -14 -11 46 o 55.064  4.4413  374.639    58.834   436.251    84.456   316.551    82.006   59.037  5.9782  49.904  6.9620  9.132473       9.176515 
1 1 1 -14 -11 47 o 63.118  4.3419  491.391    66.091   497.350    95.516   485.916    91.544   62.926  6.3422  62.258  6.1399  0.6679001      8.827356 
1 1 1 -14 -11 48 o 87.929  4.0038  948.094    85.421   1003.02    123.710  898.040    118.093  89.779  5.7085  84.910  5.7661  4.868904       8.113895 
1 1 1 -14 -11 49 o 49.958  7.0391  318.884    82.962   248.972    158.140  345.431    97.448   42.394  13.583  51.660  8.0353  -9.265739      15.78183 
1 1 1 -14 -11 50 o 20.465  8.2606  27.605     63.317   67.398     122.301  13.034     74.007   28.606  11.504  20.612  8.6809  7.994228       14.41174 
1 1 1 -14 -11 51 f 32.226  6.6729  135.069    50.460   126.672    63.794   149.106    82.475   30.893  8.3232  33.327  9.6467  -2.433762      12.74111 
1 1 1 -14 -11 52 o 52.585  4.7985  345.176    60.550   340.981    78.266   351.430    95.563   51.719  6.3715  51.906  7.8313  -0.1869011     10.09576 
1 1 1 -14 -11 53 o 12.880  5.5755  -2.7595    32.066   32.383     35.955   -139.3719  70.890   17.581  6.4437  13.030  6.4086  4.551582       9.087996 
1 1 1 -14 -11 54 o 75.203  4.3118  702.081    78.350   712.506    105.953  689.502    116.386  75.047  5.8652  73.420  6.6038  1.626976       8.832351 
1 1 1 -14 -11 55 o 38.141  5.8551  187.236    52.456   164.701    65.924   226.127    86.604   34.959  7.9512  40.614  9.0226  -5.655132      12.02622 
1 1 1 -14 -11 56 o 20.884  6.4922  55.874     36.379   87.326     40.238   -84.8933   85.127   25.686  6.4619  16.670  7.8953  9.015491       10.20258 
1 1 1 -14 -11 57 o 49.421  5.0294  308.752    59.470   299.709    73.213   326.291    101.964  48.086  6.4363  48.863  8.9291  -0.7772865     11.00704 
1 1 1 -14 -11 58 o 34.081  7.0320  154.562    56.221   159.029    60.671   127.418    149.565  34.406  7.4808  32.440  12.828  1.965813       14.85023 
1 1 1 -14 -11 59 o 32.927  6.7877  143.648    52.427   172.611    56.103   -55.9289   147.272  36.236  6.6251  24.001  11.033  12.23424       12.86955 
1 1 1 -14 -11 60 o 12.910  5.8174  -16.5150   38.440   -39.4226   43.668   62.353     81.025   12.410  5.8076  24.530  9.5176  -12.11984      11.14958 
1 1 1 -14 -11 61 o 17.338  6.7690  26.218     41.180   26.218     41.180   0.0000     0.0000   17.338  6.7690  ?       ?       0.000000       6.769037 
1 1 1 -14 -11 62 o 46.835  19.860  459.524    391.594  459.524    391.594  0.0000     0.0000   46.835  19.860  ?       ?       0.000000       19.85982 
1 1 1 -14 -10 1  o 179.719 9.1807  3969.74    399.009  3969.74    399.009  0.0000     0.0000   179.719 9.1807  ?       ?       0.000000       9.180710 
1 1 1 -14 -10 2  o 179.036 9.0928  3939.07    393.706  3939.07    393.706  0.0000     0.0000   179.036 9.0928  ?       ?       0.000000       9.092782 
1 1 1 -14 -10 3  f 268.166 5.9776  8764.10    388.954  7902.33    561.953  9556.62    538.899  253.880 9.1224  279.545 7.9450  -25.66510      12.09712 
1 1 1 -14 -10 4  o 33.592  3.7031  138.800    29.682   224.551    49.780   91.496     36.973   42.680  4.8954  26.889  5.8346  15.79123       7.616242 
1 1 1 -14 -10 5  o 165.598 4.2762  3334.53    171.823  3333.16    252.827  3335.69    234.227  165.344 6.3019  165.465 5.8340  -0.1210480     8.587748 
1 1 1 -14 -10 6  f 142.757 3.9847  2477.27    138.025  2409.72    204.414  2533.88    187.124  140.626 5.9908  144.267 5.3456  -3.641708      8.028989 
1 1 1 -14 -10 7  o 126.197 3.7751  1935.43    115.595  2078.18    172.429  1818.89    155.788  130.649 5.4393  122.242 5.2523  8.407211       7.561230 
1 1 1 -14 -10 8  o 62.201  5.1457  474.041    76.964   451.760    126.514  487.131    96.972   60.102  8.9481  62.888  6.4460  -2.785675      11.02814 
1 1 1 -14 -10 9  o 440.593 13.033  24012.04   1393.26  22753.29   1996.43  25207.15   1945.31  423.963 19.407  447.622 17.911  -23.65884      26.40891 
1 1 1 -14 -10 10 o 504.558 14.769  31650.22   1808.16  30258.52   2582.89  32987.73   2532.10  486.364 21.887  509.457 20.484  -23.09317      29.97685 
1 1 1 -14 -10 11 o 48.065  3.5009  282.153    40.549   267.706    59.064   295.033    55.768   46.601  5.3189  49.024  4.7477  -2.423222      7.129638 
1 1 1 -14 -10 12 o 105.736 3.9058  1358.69    100.206  1429.10    165.893  1318.23    125.737  108.105 6.3523  104.094 4.9782  4.010994       8.070576 
1 1 1 -14 -10 13 o 40.047  5.3850  198.689    51.001   0.0000     0.0000   198.689    51.001   ?       ?       40.047  5.3850  0.000000       5.385011 
1 1 1 -14 -10 14 o 523.710 14.973  34121.92   1902.72  0.0000     0.0000   34121.92   1902.72  ?       ?       523.710 14.973  0.000000       14.97339 
1 1 1 -14 -10 15 o 446.264 12.783  24616.55   1384.18  0.0000     0.0000   24616.55   1384.18  ?       ?       446.264 12.783  0.000000       12.78311 
1 1 1 -14 -10 16 o 78.374  3.6545  746.379    69.497   758.037    104.370  737.092    93.152   78.716  5.4990  77.676  4.9685  1.039780       7.411138 
1 1 1 -14 -10 17 o 125.608 3.7812  1917.41    115.244  1993.07    164.241  1844.02    161.746  127.958 5.2899  123.070 5.4165  4.887589       7.571103 
1 1 1 -14 -10 18 o 148.067 4.0929  2665.27    147.045  2942.45    209.778  2397.53    206.175  155.442 5.5620  140.263 6.0580  15.17886       8.224058 
1 1 1 -14 -10 19 f 172.762 4.4068  3629.79    184.730  3787.46    263.018  3476.29    259.514  176.273 6.1494  168.853 6.3342  7.420441       8.828195 
1 1 1 -14 -10 20 o 31.892  4.9335  126.666    36.945   148.207    51.242   103.348    53.314   34.319  6.3887  28.579  7.5685  5.740198       9.904459 
1 1 1 -14 -10 21 o 263.882 5.8321  8484.44    373.419  8433.42    530.168  8534.67    526.046  262.504 8.3236  264.107 8.2088  -1.602631      11.69048 
1 1 1 -14 -10 22 o 171.648 4.3678  3583.04    181.915  3576.84    258.669  3589.11    255.887  171.289 6.2238  171.593 6.1459  -0.3037720     8.746841 
1 1 1 -14 -10 23 o 190.155 6.4513  4409.53    297.658  4264.82    405.538  4578.55    438.270  186.562 8.9587  193.218 9.3482  -6.655396      12.94787 
1 1 1 -14 -10 24 o 222.559 7.1258  6047.13    384.806  5718.03    527.476  6421.54    562.618  215.745 10.076  228.613 10.143  -12.86835      14.29693 
1 1 1 -14 -10 25 o 235.820 7.7041  6796.32    440.824  7508.96    606.455  5997.97    641.891  247.225 10.110  220.060 12.067  27.16425       15.74266 
1 1 1 -14 -10 26 o 311.848 6.6637  11863.27   504.225  11859.86   715.550  11866.63   710.640  310.931 9.4845  311.044 9.4159  -0.1134338     13.36468 
1 1 1 -14 -10 27 f 283.451 6.1169  9793.06    420.699  10128.93   597.668  9463.21    592.285  287.629 8.5637  277.951 8.7821  9.678040       12.26635 
1 1 1 -14 -10 28 o 134.643 4.0161  2203.88    131.206  2205.73    186.493  2202.07    184.629  134.559 5.7120  134.453 5.6593  0.1065369      8.040819 
1 1 1 -14 -10 29 o 102.775 3.8746  1283.96    96.623   1122.94    133.703  1459.97    139.791  95.830  5.7771  109.504 5.2612  -13.67452      7.813784 
1 1 1 -14 -10 30 o 169.378 4.4626  3489.74    183.403  3322.33    259.598  3656.56    259.144  165.025 6.4832  173.172 6.1674  -8.147537      8.948078 
1 1 1 -14 -10 31 o 76.829  6.3065  724.775    116.528  579.609    181.498  826.578    151.992  67.627  11.471  81.850  7.7452  -14.22340      13.84077 
1 1 1 -14 -10 32 o 113.465 6.0221  1574.39    165.204  1333.15    254.407  1750.28    217.239  103.566 10.259  119.396 7.5374  -15.83009      12.73012 
1 1 1 -14 -10 33 o 193.237 7.2057  4565.84    337.857  3977.08    506.218  5038.75    453.691  178.840 11.731  202.490 9.2340  -23.64987      14.92899 
1 1 1 -14 -10 34 o 125.362 4.0390  1911.71    122.857  1859.82    172.917  1964.60    174.587  123.479 5.7714  126.922 5.6691  -3.442863      8.089972 
1 1 1 -14 -10 35 o 188.885 5.7267  4353.79    262.463  4581.56    319.884  3884.55    459.130  193.529 6.8121  176.814 10.753  16.71524       12.72904 
1 1 1 -14 -10 36 o 147.725 4.2480  2657.10    152.266  2593.95    216.331  2719.11    214.355  145.678 6.1201  149.186 5.9216  -3.508499      8.515959 
1 1 1 -14 -10 37 o 145.739 4.1933  2587.22    148.284  2655.23    211.846  2521.89    207.626  147.348 5.9254  143.594 5.9591  3.753799       8.403634 
1 1 1 -14 -10 38 o 11.297  5.1515  -20.3263   31.253   -20.8845   41.846   -19.6222   46.999   13.498  6.0771  14.563  6.5071  -1.064589      8.903592 
1 1 1 -14 -10 39 o 79.503  3.7267  770.081    71.890   780.968    101.364  759.062    101.975  79.726  5.2696  78.574  5.3811  1.152069       7.531590 
1 1 1 -14 -10 40 o 183.262 4.7407  4106.47    210.804  4137.19    301.177  4076.96    295.158  183.204 6.7752  181.903 6.6873  1.301666       9.519621 
1 1 1 -14 -10 41 o 123.817 4.0205  1871.88    120.788  1895.39    171.839  1848.91    169.819  124.192 5.7025  122.659 5.7059  1.533142       8.066918 
1 1 1 -14 -10 42 o 53.623  4.1625  353.618    53.735   330.615    74.421   378.672    77.668   51.440  6.0802  55.142  5.8963  -3.702343      8.469618 
1 1 1 -14 -10 43 o 85.262  5.0186  895.944    103.366  951.747    131.949  807.297    166.306  87.515  6.2551  79.651  8.7491  7.863785       10.75515 
1 1 1 -14 -10 44 o 50.206  5.3819  313.979    64.540   344.618    78.936   252.190    112.097  52.372  6.3409  43.445  10.704  8.927425       12.44086 
1 1 1 -14 -10 45 o 81.670  4.9802  823.827    98.219   831.223    124.507  811.640    159.818  81.593  6.3387  79.790  8.3801  1.803329       10.50738 
1 1 1 -14 -10 46 o 46.026  4.8826  263.564    53.695   270.838    77.701   256.916    74.288   46.025  7.1932  44.842  7.0611  1.182720       10.07971 
1 1 1 -14 -10 47 f 80.254  4.0449  791.506    78.513   859.214    113.217  728.779    108.973  83.131  5.6463  76.438  5.9217  6.693413       8.182157 
1 1 1 -14 -10 48 o 41.021  5.8366  212.677    56.455   294.057    76.976   117.953    83.047   48.065  6.7893  30.418  9.8536  17.64690       11.96611 
1 1 1 -14 -10 49 o 15.584  7.4289  -95.0309   77.845   159.546    179.270  -154.1878  86.417   37.178  14.227  14.851  7.2566  22.32704       15.97110 
1 1 1 -14 -10 50 o 59.341  8.1260  455.882    113.929  312.676    244.215  495.717    128.804  46.628  16.838  61.560  8.8800  -14.93231      19.03649 
1 1 1 -14 -10 51 o 41.577  6.0958  220.397    59.669   286.074    81.295   143.687    87.857   47.006  7.3699  32.795  10.072  14.21085       12.48023 
1 1 1 -14 -10 52 o 49.020  5.2600  302.124    61.586   386.027    83.842   203.800    90.761   55.048  6.3962  38.623  9.6985  16.42558       11.61781 
1 1 1 -14 -10 53 o 45.846  5.5364  266.290    60.341   269.921    81.009   261.764    90.437   45.340  7.6348  44.141  8.7530  1.199303       11.61485 
1 1 1 -14 -10 54 o 55.360  4.8896  384.252    65.005   321.455    85.966   468.110    99.340   49.582  7.3698  60.225  6.9241  -10.64315      10.11222 
1 1 1 -14 -10 55 o 24.632  7.5623  79.451     49.536   42.624     59.423   163.342    89.686   21.105  8.1613  34.195  10.106  -13.08952      12.99016 
1 1 1 -14 -10 56 o 25.610  7.2444  87.260     47.033   99.081     55.712   57.934     87.749   27.178  7.9463  24.727  9.8109  2.450848       12.62530 
1 1 1 -14 -10 57 o 45.787  5.3573  266.779    58.393   242.906    72.507   310.836    98.501   42.868  7.2279  47.739  8.8287  -4.871181      11.41005 
1 1 1 -14 -10 58 o 21.573  7.7165  54.502     51.158   32.183     55.265   188.143    135.233  19.633  7.7871  36.090  12.578  -16.45717      14.79346 
1 1 1 -14 -10 59 o 86.075  4.4174  923.157    91.948   661.982    125.050  1230.55    135.664  71.189  7.3450  98.574  5.6963  -27.38438      9.295015 
1 1 1 -14 -10 60 o 27.660  6.8495  102.036    45.729   101.142    55.153   104.002    81.798   27.407  7.8758  28.219  9.7853  -0.8117046     12.56103 
1 1 1 -14 -10 61 o 51.513  20.178  560.177    366.828  560.177    366.828  0.0000     0.0000   51.513  20.178  ?       ?       0.000000       20.17778 
1 1 1 -14 -10 62 o 26.360  10.383  75.255     97.612   -316.2497  369.353  104.652    101.210  30.400  14.885  28.718  10.758  1.681765       18.36582 
1 1 1 -14 -9  1  o 197.531 9.5805  4788.02    459.186  4788.02    459.186  0.0000     0.0000   197.531 9.5805  ?       ?       0.000000       9.580546 
1 1 1 -14 -9  2  o 140.258 5.4529  2395.55    185.575  2191.65    269.013  2580.68    256.332  133.570 8.3422  145.367 7.2673  -11.79674      11.06367 
1 1 1 -14 -9  3  o 208.801 4.9698  5305.51    251.785  4985.11    366.872  5590.79    346.184  202.006 7.4849  214.080 6.6645  -12.07343      10.02194 
1 1 1 -14 -9  4  o 36.156  3.6442  160.461    31.534   150.297    52.122   166.330    39.605   34.559  6.4532  36.703  4.5444  -2.144238      7.892693 
1 1 1 -14 -9  5  o 304.675 6.4722  11317.80   478.467  11851.90   687.350  10815.70   666.444  311.027 9.1079  297.075 9.2456  13.95135       12.97819 
1 1 1 -14 -9  6  o 320.052 6.7385  12492.46   523.295  13253.15   745.013  11751.72   735.185  328.864 9.3365  309.523 9.7890  19.34122       13.52757 
1 1 1 -14 -9  7  o 178.482 4.4289  3873.24    191.802  3884.93    274.550  3862.10    268.064  178.545 6.3374  178.036 6.2053  0.5089569      8.869522 
1 1 1 -14 -9  8  o 139.650 5.7370  2374.54    194.396  2218.61    297.091  2491.28    257.067  134.309 9.1711  142.675 7.4515  -8.365677      11.81670 
1 1 1 -14 -9  9  o 102.764 5.0790  1284.74    126.644  1641.69    199.759  1044.85    163.760  115.793 7.1447  92.244  7.3783  23.54938       10.27068 
1 1 1 -14 -9  10 o 404.286 16.718  20415.45   1639.94  0.0000     0.0000   20415.45   1639.94  ?       ?       404.286 16.718  0.000000       16.71769 
1 1 1 -14 -9  11 o 241.320 5.4597  7087.24    319.688  7317.69    455.402  6863.35    448.882  244.840 7.6656  237.092 7.8028  7.748810       10.93828 
1 1 1 -14 -9  12 o 240.862 7.6428  7081.58    446.666  0.0000     0.0000   7081.58    446.666  ?       ?       240.862 7.6428  0.000000       7.642760 
1 1 1 -14 -9  13 o 398.935 11.598  19582.90   1122.70  0.0000     0.0000   19582.90   1122.70  ?       ?       398.935 11.598  0.000000       11.59838 
1 1 1 -14 -9  14 o 100.679 4.2344  1232.11    103.443  1271.72    200.887  1217.82    120.671  101.692 8.2115  100.058 4.9704  1.634506       9.598605 
1 1 1 -14 -9  15 o 143.425 4.1618  2500.38    144.834  2766.54    208.767  2253.39    201.102  150.740 5.7078  136.010 6.0937  14.73016       8.349397 
1 1 1 -14 -9  16 o 190.624 5.2350  4422.03    242.135  4422.05    407.125  4422.02    301.194  190.087 8.8269  190.463 6.5174  -0.3753662     10.97229 
1 1 1 -14 -9  17 o 329.950 6.9353  13281.25   555.233  13371.97   787.770  13191.69   782.691  330.153 9.8338  327.919 9.8369  2.234314       13.90928 
1 1 1 -14 -9  18 o 301.971 6.5126  11118.60   477.179  10942.29   677.232  11292.42   672.460  298.776 9.3417  303.589 9.1289  -4.812714      13.06156 
1 1 1 -14 -9  19 o 25.202  5.7880  80.464     34.648   52.122     48.021   111.240    50.042   21.727  7.4996  29.602  7.0651  -7.875471      10.30340 
1 1 1 -14 -9  20 o 215.957 5.1077  5676.41    267.645  5695.32    380.552  5657.91    376.495  215.961 7.2623  215.261 7.2083  0.7000732      10.23232 
1 1 1 -14 -9  21 o 136.869 3.9759  2277.20    132.039  2226.24    187.597  2327.23    185.876  135.186 5.7191  138.235 5.5417  -3.049255      7.963597 
1 1 1 -14 -9  22 o 204.486 4.8871  5088.04    242.479  5144.29    344.906  5033.07    340.962  205.306 6.9236  203.076 6.9197  2.230850       9.788679 
1 1 1 -14 -9  23 o 93.723  4.9486  1071.85    112.137  1002.78    146.583  1169.31    174.118  90.417  6.7297  97.569  7.4101  -7.151947      10.00993 
1 1 1 -14 -9  24 o 137.826 5.5276  2313.25    184.855  2316.75    246.797  2308.79    279.005  137.528 7.4233  137.103 8.4277  0.4251709      11.23084 
1 1 1 -14 -9  25 o 120.225 5.3862  1759.79    157.122  2093.01    207.886  1315.83    239.956  131.004 6.5400  103.110 9.7053  27.89378       11.70315 
1 1 1 -14 -9  26 o 156.289 4.2870  2970.09    162.572  3103.12    231.422  2840.47    228.431  159.582 5.9766  152.658 6.1670  6.924255       8.587902 
1 1 1 -14 -9  27 o 18.018  6.3205  34.837     34.174   16.806     47.427   54.307     49.284   17.740  7.1534  22.106  7.5994  -4.365446      10.43660 
1 1 1 -14 -9  28 o 292.804 6.4093  10454.85   455.355  10405.78   646.675  10503.11   641.297  291.343 9.1478  292.742 9.0284  -1.398773      12.85279 
1 1 1 -14 -9  29 o 108.558 3.8911  1432.51    102.495  1333.31    142.681  1538.28    147.331  104.469 5.6498  112.394 5.4024  -7.924500      7.817027 
1 1 1 -14 -9  30 o 102.983 3.9081  1289.25    97.656   1407.55    135.644  1161.95    140.709  107.522 5.1992  97.456  5.9794  10.06608       7.923687 
1 1 1 -14 -9  31 o 129.852 6.0379  2055.77    190.238  1898.98    295.198  2167.15    248.791  123.908 9.9013  132.891 7.7493  -8.982658      12.57326 
1 1 1 -14 -9  32 o 130.623 5.9074  2080.29    187.232  2048.35    293.778  2102.13    242.970  128.784 9.4678  130.863 7.6857  -2.078796      12.19460 
1 1 1 -14 -9  33 o 153.798 6.3427  2887.15    236.694  2595.29    366.175  3096.62    310.215  144.697 10.501  158.782 8.0785  -14.08511      13.24896 
1 1 1 -14 -9  34 o 154.801 4.2851  2915.97    160.953  2777.44    229.370  3050.35    225.914  150.823 6.2676  158.118 5.8884  -7.295273      8.599798 
1 1 1 -14 -9  35 o 179.184 4.5752  3909.86    198.918  3983.73    284.049  3838.76    278.653  180.528 6.4846  177.214 6.4804  3.314301       9.167652 
1 1 1 -14 -9  36 o 82.199  3.8330  822.154    76.449   778.650    107.544  866.595    108.697  79.669  5.5989  84.106  5.3542  -4.437111      7.746900 
1 1 1 -14 -9  37 o 144.587 4.1994  2546.67    147.326  2453.73    209.831  2637.04    206.902  141.602 6.1071  146.857 5.8064  -5.254807      8.426792 
1 1 1 -14 -9  38 o 87.830  3.7104  939.337    79.073   946.444    111.562  932.162    112.093  87.845  5.2582  87.165  5.3255  0.6799698      7.483936 
1 1 1 -14 -9  39 o 59.581  3.9499  434.634    56.779   364.969    79.372   507.651    81.258   54.197  6.1442  64.202  5.2624  -10.00524      8.089770 
1 1 1 -14 -9  40 o 130.477 4.0181  2077.25    127.211  2069.94    181.798  2084.25    178.067  129.855 5.7699  130.339 5.6305  -0.4844971     8.061855 
1 1 1 -14 -9  41 o 126.140 3.9477  1942.53    120.826  1909.27    172.372  1974.66    169.414  124.633 5.6999  126.805 5.5062  -2.171196      7.925085 
1 1 1 -14 -9  42 o 127.596 3.9548  1989.22    122.441  1855.84    174.680  2118.04    171.675  122.727 5.8660  131.267 5.3900  -8.540489      7.966275 
1 1 1 -14 -9  43 o 95.847  5.1269  1132.34    118.802  1147.49    151.186  1107.89    192.088  96.023  6.5276  93.506  8.5614  2.517029       10.76602 
1 1 1 -14 -9  44 f 86.605  5.1035  926.001    106.770  933.846    135.105  912.953    174.247  86.517  6.4830  84.666  8.6013  1.851761       10.77088 
1 1 1 -14 -9  45 o 67.267  4.0946  556.348    66.513   517.291    90.801   601.569    97.704   64.398  5.8757  69.491  5.8489  -5.093422      8.290606 
1 1 1 -14 -9  46 o 51.434  5.0648  329.004    62.389   328.957    86.838   329.054    89.693   50.796  7.2514  50.715  7.5165  0.8106232E-01  10.44414 
1 1 1 -14 -9  47 o 37.955  6.2831  183.556    55.839   197.778    76.964   167.749    81.138   38.819  8.4138  35.560  9.2984  3.258804       12.54008 
1 1 1 -14 -9  48 o 50.355  5.2473  316.531    63.171   363.141    86.971   264.480    91.907   53.472  6.8616  44.867  8.7565  8.604362       11.12467 
1 1 1 -14 -9  49 o 40.613  9.9563  222.252    97.356   -38.3324   221.214  284.847    108.420  31.165  14.007  46.052  9.9903  -14.88631      17.20490 
1 1 1 -14 -9  50 o 57.236  8.6199  428.104    115.999  522.135    242.639  400.246    132.069  58.537  16.418  54.473  10.371  4.064312       19.41911 
1 1 1 -14 -9  51 o 53.995  5.0257  364.285    65.088   370.650    92.168   357.954    91.930   53.650  7.2673  52.654  7.3998  0.9955330      10.37164 
1 1 1 -14 -9  52 o 44.309  5.6755  248.983    59.616   201.567    81.184   304.474    87.825   38.677  8.8433  48.242  7.7664  -9.565369      11.76948 
1 1 1 -14 -9  53 o 42.804  5.8965  233.979    59.615   331.952    80.773   116.757    88.352   50.769  6.7224  29.968  10.177  20.80056       12.19701 
1 1 1 -14 -9  54 o 56.178  5.0784  396.741    68.475   472.440    95.578   316.912    98.151   60.649  6.6015  48.574  8.6446  12.07520       10.87693 
1 1 1 -14 -9  55 f 38.342  6.7819  192.760    60.786   246.675    79.399   116.414    94.483   42.975  7.9056  29.874  10.508  13.10194       13.14963 
1 1 1 -14 -9  56 o 37.553  5.9390  182.326    52.316   212.612    65.830   130.408    86.191   40.170  7.0089  30.877  10.041  9.292212       12.24515 
1 1 1 -14 -9  57 o 32.929  7.5647  145.979    59.170   95.085     64.577   412.291    147.719  26.814  8.6892  53.082  11.777  -26.26790      14.63552 
1 1 1 -14 -9  58 o 19.638  7.3464  40.399     47.169   54.788     50.317   -63.9025   135.470  21.555  7.6589  22.750  10.503  -1.194277      12.99863 
1 1 1 -14 -9  59 o 21.626  7.0222  59.264     42.162   37.478     49.840   114.087    79.063   19.594  7.5009  29.160  9.6233  -9.566404      12.20126 
1 1 1 -14 -9  60 o 29.562  8.1838  118.932    60.702   118.932    60.702   0.0000     0.0000   29.562  8.1838  ?       ?       0.000000       8.183813 
1 1 1 -14 -9  61 o 35.411  16.622  -15.5839   362.390  -15.5839   362.390  0.0000     0.0000   35.411  16.622  ?       ?       0.000000       16.62217 
1 1 1 -14 -9  62 o 34.331  11.722  173.288    117.213  320.078    381.407  157.978    123.173  42.456  18.778  33.200  11.963  9.255989       22.26498 
1 1 1 -14 -8  1  o 68.220  4.4926  568.472    73.950   522.623    108.188  608.676    101.311  65.075  6.9597  70.424  5.9856  -5.349777      9.179575 
1 1 1 -14 -8  2  o 131.116 4.2991  2090.37    136.771  1805.32    242.566  2223.24    165.607  121.200 8.2982  135.161 5.0497  -13.96056      9.713871 
1 1 1 -14 -8  3  o 159.645 4.2035  3098.52    162.827  3126.64    240.073  3074.58    221.582  160.172 6.1772  158.881 5.7477  1.290710       8.437675 
1 1 1 -14 -8  4  o 182.606 4.4366  4054.60    196.577  4172.27    282.092  3943.52    274.086  185.026 6.2834  179.882 6.2796  5.143234       8.883398 
1 1 1 -14 -8  5  o 215.804 5.0231  5665.96    263.026  6000.21    375.953  5345.49    368.120  221.788 6.9860  209.295 7.2488  12.49310       10.06725 
1 1 1 -14 -8  6  o 162.290 4.2013  3201.43    165.439  3303.77    237.204  3104.49    230.858  164.709 5.9353  159.661 5.9591  5.047318       8.410616 
1 1 1 -14 -8  7  o 283.447 6.2105  9786.39    427.133  10578.13   607.839  9014.05    600.346  294.171 8.5158  271.405 9.1163  22.76630       12.47501 
1 1 1 -14 -8  8  o 274.452 8.4824  9205.27    564.873  9497.86    823.842  8945.68    776.005  277.693 12.227  269.618 11.862  8.074005       17.03523 
1 1 1 -14 -8  9  o 330.761 10.039  13406.49   805.710  12856.27   1164.16  13912.35   1116.24  321.978 14.901  335.499 13.712  -13.52188      20.25015 
1 1 1 -14 -8  10 o 28.445  7.1374  102.512    49.182   243.804    85.927   33.670     59.978   43.961  8.3612  21.071  8.1851  22.88974       11.70063 
1 1 1 -14 -8  11 o 323.517 9.7783  12817.10   767.579  0.0000     0.0000   12817.10   767.579  ?       ?       323.517 9.7783  0.000000       9.778258 
1 1 1 -14 -8  12 o 25.720  6.7824  83.517     42.932   0.0000     0.0000   83.517     42.932   ?       ?       25.720  6.7824  0.000000       6.782356 
1 1 1 -14 -8  13 o 322.601 9.7258  12745.39   761.299  0.0000     0.0000   12745.39   761.299  ?       ?       322.601 9.7258  0.000000       9.725819 
1 1 1 -14 -8  14 o 284.563 6.2459  9863.17    431.259  10621.32   612.542  9118.01    607.277  294.784 8.5638  272.979 9.1684  21.80499       12.54586 
1 1 1 -14 -8  15 o 284.151 6.2419  9835.50    430.361  9903.73    610.748  9768.22    606.518  284.554 8.8457  282.600 8.8452  1.953156       12.50937 
1 1 1 -14 -8  16 f 160.589 4.2424  3134.80    165.309  3130.87    235.328  3138.62    232.265  160.328 6.0492  160.536 5.9628  -0.2074280     8.493986 
1 1 1 -14 -8  17 o 227.563 5.2605  6301.99    290.466  6126.31    412.621  6474.58    408.966  223.996 7.5919  230.327 7.3178  -6.330948      10.54448 
1 1 1 -14 -8  18 o 189.891 4.5985  4385.32    211.876  4341.46    301.390  4428.17    297.918  188.697 6.5826  190.592 6.4421  -1.895172      9.210394 
1 1 1 -14 -8  19 o 167.832 4.3620  3425.06    177.634  3488.68    252.856  3363.08    249.600  169.193 6.1592  166.116 6.1926  3.077621       8.734059 
1 1 1 -14 -8  20 f 118.148 3.7971  1696.49    108.853  1694.11    154.803  1698.82    153.094  117.958 5.4086  118.128 5.3412  -0.1691666     7.601434 
1 1 1 -14 -8  21 f 68.630  3.6598  573.997    60.725   617.799    85.399   529.198    86.365   71.078  4.9832  65.699  5.4673  5.378960       7.397540 
1 1 1 -14 -8  22 o 188.437 6.4153  4329.82    293.322  4042.63    398.165  4670.64    433.755  181.629 9.0347  195.201 9.1580  -13.57187      12.86447 
1 1 1 -14 -8  23 f 54.840  5.2893  369.470    69.509   357.856    88.672   387.980    111.947  53.710  6.9682  55.673  8.5613  -1.962605      11.03869 
1 1 1 -14 -8  24 o 214.181 7.0389  5598.92    365.803  5495.40    499.457  5718.69    537.258  211.617 9.7271  215.734 10.264  -4.117294      14.14065 
1 1 1 -14 -8  25 o 201.987 5.6028  4968.59    274.595  5763.03    461.710  4533.80    341.568  216.941 8.7713  192.692 7.3055  24.24928       11.41517 
1 1 1 -14 -8  26 o 107.278 3.7214  1398.56    96.868   1498.79    138.149  1301.63    135.865  110.971 5.1307  103.252 5.4423  7.718674       7.479419 
1 1 1 -14 -8  27 o 217.566 5.2011  5761.71    274.567  5894.91    390.328  5631.25    386.296  219.710 7.3217  214.723 7.4144  4.987564       10.42026 
1 1 1 -14 -8  28 o 41.176  4.8141  209.077    47.189   169.968    65.977   250.037    67.522   36.621  7.6707  44.841  6.3863  -8.219929      9.981187 
1 1 1 -14 -8  29 o 99.909  3.7026  1213.10    89.758   1180.38    126.967  1245.80    126.906  98.316  5.3424  101.030 5.1945  -2.713226      7.451419 
1 1 1 -14 -8  30 o 135.126 4.1016  2220.06    134.480  2046.75    191.003  2390.44    189.374  129.576 6.0751  140.086 5.5714  -10.51047      8.242987 
1 1 1 -14 -8  31 o 128.500 5.7876  2012.34    180.452  2222.23    287.223  1875.46    231.945  134.346 8.8609  123.591 7.7741  10.75520       11.78780 
1 1 1 -14 -8  32 f 58.863  6.5651  428.087    92.170   332.581    156.421  478.885    114.078  50.801  12.719  62.096  7.7394  -11.29549      14.88848 
1 1 1 -14 -8  33 o 142.704 6.1000  2484.56    211.219  2432.28    329.351  2521.09    275.284  140.265 9.7374  143.255 7.9509  -2.989960      12.57116 
1 1 1 -14 -8  34 f 163.514 4.4805  3254.42    177.764  3330.69    252.905  3179.94    249.913  165.152 6.3112  161.359 6.3831  3.792587       8.976342 
1 1 1 -14 -8  35 o 174.080 4.4994  3690.00    190.051  3687.52    270.746  3692.41    266.843  173.692 6.4242  173.826 6.3267  -0.1344147     9.016493 
1 1 1 -14 -8  36 o 112.481 3.8958  1539.73    106.326  1542.98    151.182  1536.54    149.568  112.421 5.5423  112.192 5.4943  0.2289047      7.804077 
1 1 1 -14 -8  37 o 28.807  6.0933  105.347    41.259   44.927     55.069   182.668    62.296   21.535  7.9611  37.998  7.0153  -16.46278      10.61099 
1 1 1 -14 -8  38 f 23.553  6.5661  70.067     38.933   56.776     53.983   84.473     56.202   22.712  7.9452  26.153  8.0594  -3.441824      11.31724 
1 1 1 -14 -8  39 o 84.185  3.8322  863.815    78.279   858.335    110.664  869.303    110.742  83.539  5.4901  84.080  5.4577  -0.5409164     7.741304 
1 1 1 -14 -8  40 o 60.805  3.9561  452.984    58.051   508.709    82.150   397.404    82.042   64.211  5.3206  56.543  6.0751  7.667767       8.075654 
1 1 1 -14 -8  41 o 105.599 3.8733  1361.26    99.245   1366.06    140.657  1356.49    140.052  105.312 5.5238  104.942 5.5195  0.3691864      7.808818 
1 1 1 -14 -8  42 o 109.175 4.0335  1456.92    106.849  1367.19    152.161  1544.20    150.075  105.126 5.9900  112.033 5.5208  -6.906898      8.146121 
1 1 1 -14 -8  43 o 153.719 5.9861  2919.21    223.270  2919.76    294.265  2918.46    342.758  152.484 7.9811  151.487 9.3710  0.9968109      12.30908 
1 1 1 -14 -8  44 o 70.423  5.1097  613.446    86.718   653.813    107.529  538.350    146.662  72.401  6.1801  64.358  9.6925  8.043488       11.49516 
1 1 1 -14 -8  45 o 93.828  3.9936  1078.13    90.921   1105.07    128.818  1051.38    128.346  94.394  5.6502  92.018  5.7777  2.375664       8.081260 
1 1 1 -14 -8  46 o 59.448  4.7620  437.419    68.113   484.348    96.027   389.902    96.627   62.078  6.4703  55.331  7.3813  6.747051       9.815729 
1 1 1 -14 -8  47 o 52.191  5.1701  339.261    64.611   314.562    88.900   366.915    94.067   49.482  7.6512  53.594  7.4338  -4.111980      10.66778 
1 1 1 -14 -8  48 o 90.432  5.4828  1015.98    119.739  1326.04    282.451  948.055    132.206  99.304  11.963  87.017  6.3044  12.28783       13.52249 
1 1 1 -14 -8  49 o 33.893  10.469  152.278    94.777   231.307    216.958  133.641    105.361  42.164  15.759  32.495  11.113  9.668133       19.28363 
1 1 1 -14 -8  50 o 42.213  10.427  243.360    106.169  129.314    229.993  274.243    119.685  37.495  15.510  44.581  11.106  -7.086063      19.07562 
1 1 1 -14 -8  51 o 60.777  4.7441  459.576    69.407   367.260    97.110   555.982    99.238   53.169  7.7556  66.310  6.2414  -13.14054      9.955072 
1 1 1 -14 -8  52 o 24.413  7.7976  75.911     52.146   76.480     69.119   75.160     79.448   25.344  8.9795  25.867  9.5624  -0.5235806     13.11755 
1 1 1 -14 -8  53 o 55.309  4.8869  383.080    64.909   422.280    91.780   343.854    91.810   57.326  6.7260  51.259  7.6129  6.067566       10.15855 
1 1 1 -14 -8  54 o 29.582  7.1459  116.427    50.716   98.774     74.510   131.667    69.229   27.652  9.3463  31.120  8.7842  -3.468708      12.82630 
1 1 1 -14 -8  55 o 72.546  4.5679  656.878    79.996   558.904    112.448  757.274    113.829  65.551  7.1876  77.069  6.1380  -11.51759      9.451830 
1 1 1 -14 -8  56 o 19.032  7.4858  31.092     50.673   -97.5509   66.749   206.085    77.850   13.680  6.6123  38.876  8.4908  -25.19604      10.76179 
1 1 1 -14 -8  57 o 45.159  7.1240  268.191    75.473   320.275    87.255   113.460    150.393  49.208  7.5489  31.786  12.766  17.42181       14.83092 
1 1 1 -14 -8  58 o 53.175  6.0338  362.423    76.473   349.845    86.090   409.476    166.505  51.749  7.0389  51.839  13.202  -0.8993149E-01 14.96106 
1 1 1 -14 -8  59 o 36.961  7.8184  183.904    67.928   183.904    67.928   0.0000     0.0000   36.961  7.8184  ?       ?       0.000000       7.818401 
1 1 1 -14 -8  60 o 73.325  6.2672  689.703    110.432  689.703    110.432  0.0000     0.0000   73.325  6.2672  ?       ?       0.000000       6.267195 
1 1 1 -14 -8  61 o 16.960  8.0515  -89.5559   89.554   -69.9490   360.254  -90.8473   92.456   34.180  16.204  17.262  8.1909  16.91829       18.15646 
1 1 1 -14 -7  1  o 134.139 5.3887  2190.60    175.389  1833.97    251.404  2528.75    244.802  122.124 8.5378  143.947 7.0089  -21.82350      11.04620 
1 1 1 -14 -7  2  o 99.077  3.4548  1192.58    83.054   1340.30    121.041  1061.15    114.172  104.969 4.7524  93.247  5.0651  11.72177       6.945545 
1 1 1 -14 -7  3  o 264.245 5.7875  8503.29    371.076  8761.04    529.047  8253.69    520.617  267.726 8.1440  259.832 8.2578  7.894714       11.59810 
1 1 1 -14 -7  4  o 279.648 6.1600  9526.56    417.981  9912.97    595.113  9150.36    587.195  284.707 8.6147  273.476 8.8491  11.23059       12.34985 
1 1 1 -14 -7  5  o 92.423  3.4340  1037.59    77.010   1079.68    110.737  998.160    107.168  94.096  4.8668  90.461  4.9007  3.635216       6.906752 
1 1 1 -14 -7  6  o 137.023 3.8649  2281.25    128.497  2393.45    183.907  2174.22    179.615  140.253 5.4041  133.665 5.5381  6.587418       7.737879 
1 1 1 -14 -7  7  o 194.431 6.6357  4605.92    313.051  4944.98    466.800  4328.80    422.020  200.999 9.5714  188.115 9.2458  12.88403       13.30777 
1 1 1 -14 -7  8  o 95.401  5.1525  1110.16    118.829  1167.99    191.787  1074.12    151.389  97.473  8.1848  93.657  6.7062  3.815857       10.58131 
1 1 1 -14 -7  9  o 242.318 7.6533  7162.49    449.987  7713.42    661.145  6687.02    614.201  250.776 10.865  233.501 10.841  17.27470       15.34857 
1 1 1 -14 -7  10 o 225.546 10.122  6229.96    553.945  0.0000     0.0000   6229.96    553.945  ?       ?       225.546 10.122  0.000000       10.12204 
1 1 1 -14 -7  11 o 225.328 7.2669  6189.75    397.310  0.0000     0.0000   6189.75    397.310  ?       ?       225.328 7.2669  0.000000       7.266922 
1 1 1 -14 -7  12 o 227.639 7.3659  6318.50    406.851  0.0000     0.0000   6318.50    406.851  ?       ?       227.639 7.3659  0.000000       7.365898 
1 1 1 -14 -7  13 o 97.457  3.5923  1153.70    84.948   1205.98    121.774  1104.16    118.558  99.453  5.0631  95.142  5.1549  4.311195       7.225485 
1 1 1 -14 -7  14 o 203.079 4.8077  5014.63    236.902  5077.17    336.816  4953.41    333.272  204.113 6.8008  201.608 6.8128  2.504700       9.626281 
1 1 1 -14 -7  15 o 136.731 3.9039  2271.60    129.518  2257.41    184.268  2285.47    182.083  136.195 5.5760  137.046 5.4757  -0.8513794     7.815063 
1 1 1 -14 -7  16 o 87.990  3.5935  940.552    76.722   939.669    109.482  941.404    107.546  87.735  5.1657  87.826  5.0682  -0.9150696E-01 7.236778 
1 1 1 -14 -7  17 o 287.185 6.2833  10048.77   437.840  10142.39   621.117  9956.30    617.299  287.905 8.8912  285.244 8.9190  2.661011       12.59371 
1 1 1 -14 -7  18 o 269.061 5.9193  8817.63    386.442  8866.53    548.509  8769.45    544.536  269.268 8.3953  267.794 8.3803  1.474396       11.86215 
1 1 1 -14 -7  19 o 99.981  4.1076  1215.15    99.649   1424.75    162.786  1089.53    126.019  107.944 6.2418  94.437  5.5236  13.50676       8.334926 
1 1 1 -14 -7  20 o 138.712 4.5135  2340.05    151.912  2415.50    251.093  2296.49    190.791  140.449 7.3941  137.312 5.7264  3.137619       9.352239 
1 1 1 -14 -7  21 o 138.025 3.9840  2315.76    133.427  2348.25    189.854  2284.05    187.554  138.855 5.6350  136.943 5.6445  1.912201       7.975803 
1 1 1 -14 -7  22 o 79.645  5.0708  775.097    97.483   887.472    126.376  609.991    153.183  85.111  6.1611  69.953  9.2519  15.15784       11.11562 
1 1 1 -14 -7  23 o 24.183  7.5387  70.873     49.015   24.695     61.171   153.698    81.923   20.391  8.1585  34.835  9.4518  -14.44357      12.48592 
1 1 1 -14 -7  24 o 14.340  6.3235  -13.0195   42.936   14.321     53.104   -64.6269   72.960   18.359  7.5076  16.417  7.6242  1.941236       10.70008 
1 1 1 -14 -7  25 o 220.079 5.1902  5895.16    277.159  6403.30    393.937  5397.09    390.017  229.048 7.0882  210.180 7.6477  18.86839       10.42732 
1 1 1 -14 -7  26 o 101.836 3.7130  1260.26    91.746   1371.64    131.040  1153.16    128.493  106.164 5.0870  97.166  5.4723  8.997856       7.471567 
1 1 1 -14 -7  27 o 266.771 6.0920  8672.94    394.331  8635.18    559.718  8710.15    555.641  265.574 8.6860  266.753 8.5846  -1.178375      12.21237 
1 1 1 -14 -7  28 o 271.178 6.0546  8961.99    398.389  8940.26    565.794  8983.37    561.050  270.222 8.6293  270.899 8.5355  -0.6773682     12.13751 
1 1 1 -14 -7  29 o 213.484 5.0853  5547.25    263.417  5612.35    374.508  5483.52    370.580  214.383 7.1996  211.907 7.2073  2.476196       10.18721 
1 1 1 -14 -7  30 o 167.700 6.4308  3430.25    261.674  3413.01    399.464  3443.21    346.326  166.376 9.9406  167.461 8.5518  -1.084427      13.11294 
1 1 1 -14 -7  31 o 267.046 8.4901  8736.10    550.129  8900.29    811.893  8596.72    748.025  268.046 12.483  263.771 11.688  4.275055       17.10056 
1 1 1 -14 -7  32 o 188.546 6.9163  4342.27    316.414  4121.51    481.301  4510.31    419.908  182.461 10.922  191.703 9.0274  -9.242233      14.16945 
1 1 1 -14 -7  33 o 135.160 4.0451  2221.83    132.661  2321.37    188.788  2124.73    186.454  137.992 5.6384  131.997 5.8216  5.994751       8.104494 
1 1 1 -14 -7  34 o 101.915 3.8849  1263.28    96.069   1273.19    135.781  1253.34    135.945  102.039 5.5045  101.231 5.5559  0.8084106      7.820925 
1 1 1 -14 -7  35 o 96.925  3.8403  1142.85    90.317   1115.25    127.453  1170.69    128.003  95.452  5.5267  97.820  5.4141  -2.368279      7.736702 
1 1 1 -14 -7  36 f 117.435 3.9241  1678.56    111.816  1687.54    158.522  1669.67    157.743  117.558 5.5575  116.933 5.5597  0.6245956      7.860993 
1 1 1 -14 -7  37 o 133.768 4.0981  2179.81    133.016  2160.74    188.860  2198.59    187.374  132.899 5.8567  134.076 5.7596  -1.177292      8.214279 
1 1 1 -14 -7  38 o 40.296  5.1416  201.613    49.126   172.100    65.262   240.203    74.626   36.716  7.5769  43.603  7.3126  -6.886765      10.53013 
1 1 1 -14 -7  39 o 49.740  4.5099  304.578    53.838   309.049    73.448   299.386    79.146   49.787  6.2154  48.846  6.8675  0.9410515      9.262471 
1 1 1 -14 -7  40 o 34.515  5.9026  150.362    47.656   114.694    62.998   198.078    72.865   29.919  8.3566  39.283  7.9181  -9.363499      11.51211 
1 1 1 -14 -7  41 o 56.243  4.4436  389.322    60.147   367.708    83.123   413.074    87.140   54.218  6.4448  57.531  6.3481  -3.313084      9.046212 
1 1 1 -14 -7  42 o 106.612 5.2676  1397.04    136.265  1469.14    175.314  1287.00    216.575  108.711 6.6786  100.753 8.9523  7.958107       11.16910 
1 1 1 -14 -7  43 o 108.120 5.2920  1438.89    138.833  1461.32    177.452  1403.50    222.913  108.262 6.7896  105.125 8.8206  3.136589       11.13107 
1 1 1 -14 -7  44 o 62.315  5.2251  481.519    78.275   513.607    96.035   418.011    135.104  64.080  6.2563  56.318  10.265  7.762161       12.02143 
1 1 1 -14 -7  45 o 62.879  4.6115  488.240    69.867   487.829    100.681  488.621    97.033   62.230  6.7774  62.369  6.5077  -0.1398773     9.395944 
1 1 1 -14 -7  46 o 16.142  7.0563  -8.8293    52.422   -46.3416   70.460   37.679     78.455   16.672  7.6521  23.043  9.2325  -6.370779      11.99139 
1 1 1 -14 -7  47 o 37.526  9.1642  186.880    82.723   6.9316     212.828  218.903    89.782   32.392  14.187  40.606  9.3110  -8.214039      16.96965 
1 1 1 -14 -7  48 o 148.681 7.0816  2775.05    255.476  2088.92    431.167  3146.27    317.143  121.691 14.915  157.100 8.3498  -35.40944      17.09279 
1 1 1 -14 -7  49 o 67.388  7.5651  580.653    121.562  546.769    253.254  590.797    138.569  59.940  16.760  67.459  8.6660  -7.519371      18.86762 
1 1 1 -14 -7  50 o 56.401  4.8712  396.153    66.008   386.390    92.331   406.359    94.403   54.919  7.0948  56.354  7.0589  -1.435093      10.00816 
1 1 1 -14 -7  51 o 60.981  4.6155  462.231    67.787   507.839    98.782   421.637    93.193   63.201  6.5360  57.414  6.8232  5.786942       9.448576 
1 1 1 -14 -7  52 o 64.276  4.4271  513.120    68.625   525.060    98.908   502.036    95.293   64.216  6.4344  62.824  6.3380  1.392525       9.031691 
1 1 1 -14 -7  53 o 60.071  4.7412  450.811    68.544   457.851    99.216   444.384    94.806   59.558  6.9991  58.776  6.7715  0.7816124      9.738639 
1 1 1 -14 -7  54 o 53.095  4.7861  353.594    60.996   361.420    87.953   346.343    84.663   52.712  7.0535  51.644  6.9313  1.068741       9.889096 
1 1 1 -14 -7  55 o 51.684  5.4192  338.819    66.949   373.321    95.360   305.284    94.014   53.222  7.6002  47.607  8.4481  5.615086       11.36367 
1 1 1 -14 -7  56 o 31.633  7.2726  133.928    54.653   171.476    72.647   84.966     82.958   35.380  8.5562  26.598  9.7819  8.781485       12.99594 
1 1 1 -14 -7  57 o 28.075  8.5342  106.144    63.289   113.616    73.572   84.880     124.121  29.023  9.2612  28.879  11.598  0.1437168      14.84184 
1 1 1 -14 -7  58 o 37.107  8.2817  187.038    72.675   203.762    84.386   139.016    142.995  38.363  9.1869  33.073  12.695  5.290009       15.67021 
1 1 1 -14 -7  59 o 44.555  7.7510  264.654    80.752   264.654    80.752   0.0000     0.0000   44.555  7.7510  ?       ?       0.000000       7.750986 
1 1 1 -14 -7  60 o 51.380  12.044  392.432    147.533  773.864    421.773  339.255    157.482  57.988  21.911  46.758  13.266  11.23001       25.61386 
1 1 1 -14 -7  61 o 35.240  11.588  182.557    114.675  463.308    373.778  153.385    120.486  47.177  19.664  32.973  11.837  14.20401       22.95208 
1 1 1 -14 -6  1  o 107.972 4.7692  1418.08    124.945  1636.00    169.363  1157.84    185.079  115.723 6.0527  97.023  7.9311  18.70077       9.976840 
1 1 1 -14 -6  2  o 108.972 3.5563  1442.68    94.032   1597.53    135.591  1299.20    130.517  114.600 4.8762  103.196 5.2295  11.40454       7.150195 
1 1 1 -14 -6  3  o 74.972  3.6355  682.865    66.135   880.120    108.225  565.304    83.550   84.886  5.2806  67.978  5.1027  16.90804       7.343179 
1 1 1 -14 -6  4  f 167.352 4.2580  3404.02    172.901  3534.46    247.117  3278.93    242.000  170.377 5.9776  164.092 6.0780  6.284424       8.524931 
1 1 1 -14 -6  5  o 200.070 4.7581  4866.85    230.983  5149.28    329.001  4592.31    324.368  205.586 6.5954  194.112 6.8869  11.47345       9.535606 
1 1 1 -14 -6  6  o 105.817 3.5996  1360.11    92.422   1545.83    132.625  1184.77    128.864  112.756 4.8476  98.539  5.4104  14.21646       7.264353 
1 1 1 -14 -6  7  o 167.552 6.1167  3417.45    248.676  3693.25    375.238  3201.47    332.069  173.625 8.9373  161.700 8.4933  11.92532       12.32932 
1 1 1 -14 -6  8  o 184.187 6.4636  4131.02    288.865  4332.34    432.116  3968.37    388.406  187.985 9.5044  180.230 8.8817  7.755112       13.00835 
1 1 1 -14 -6  9  o 124.423 7.2147  1892.96    216.879  0.0000     0.0000   1892.96    216.879  ?       ?       124.423 7.2147  0.000000       7.214720 
1 1 1 -14 -6  10 o 207.100 6.9957  5225.58    351.540  0.0000     0.0000   5225.58    351.540  ?       ?       207.100 6.9957  0.000000       6.995710 
1 1 1 -14 -6  11 o 121.623 5.2654  1798.94    155.387  0.0000     0.0000   1798.94    155.387  ?       ?       121.623 5.2654  0.000000       5.265435 
1 1 1 -14 -6  12 o 178.200 4.4730  3859.38    193.405  4165.22    275.802  3563.47    271.286  184.981 6.1448  171.060 6.5360  13.92062       8.970968 
1 1 1 -14 -6  13 o 168.441 4.3466  3448.02    177.648  3531.15    252.432  3366.46    250.049  170.317 6.1083  166.290 6.1972  4.027252       8.701550 
1 1 1 -14 -6  14 o 104.245 3.6606  1320.03    92.592   1413.96    131.631  1228.05    130.269  107.829 5.0310  100.332 5.3705  7.497414       7.358915 
1 1 1 -14 -6  15 o 197.200 4.7261  4728.12    226.136  4990.52    321.008  4469.61    318.614  202.398 6.5365  191.504 6.8568  10.89398       9.473216 
1 1 1 -14 -6  16 o 167.029 4.3252  3391.13    175.291  3409.50    248.692  3372.99    247.113  167.322 6.1256  166.424 6.1195  0.8975677      8.658548 
1 1 1 -14 -6  17 o 76.207  3.6362  705.562    67.236   710.739    95.987   700.574    94.211   76.253  5.2193  75.709  5.1592  0.5432205      7.338854 
1 1 1 -14 -6  18 o 105.171 3.6998  1343.96    94.415   1396.34    134.188  1292.61    132.867  107.124 5.1625  102.921 5.3388  4.203232       7.426610 
1 1 1 -14 -6  19 o 108.279 3.7196  1424.69    97.725   1423.66    138.593  1425.72    137.818  108.152 5.2813  108.232 5.2479  -0.8023834E-01 7.445308 
1 1 1 -14 -6  20 o 96.470  3.6635  1130.89    85.753   1182.67    121.177  1078.94    121.369  98.451  5.0901  93.993  5.3437  4.457443       7.380004 
1 1 1 -14 -6  21 o 124.388 3.9236  1880.64    118.422  2030.25    168.333  1734.05    166.628  129.136 5.3723  119.314 5.7557  9.821976       7.873304 
1 1 1 -14 -6  22 o 89.339  5.1482  974.634    111.126  1103.51    144.503  788.107    173.846  94.936  6.3090  79.685  9.1578  15.25097       11.12067 
1 1 1 -14 -6  23 o 182.681 6.6145  4070.04    293.193  4603.89    396.786  3428.01    435.137  193.975 8.4304  166.588 10.824  27.38741       13.71954 
1 1 1 -14 -6  24 o 116.034 5.2955  1638.91    149.092  1642.28    195.427  1634.22    230.611  115.803 6.9878  115.297 8.2987  0.5056381      10.84889 
1 1 1 -14 -6  25 o 370.818 7.8574  16805.18   706.978  16705.84   1001.60  16903.81   998.048  368.330 11.207  370.558 11.100  -2.227966      15.77382 
1 1 1 -14 -6  26 f 238.150 5.4852  6905.53    316.961  6992.27    449.899  6820.06    446.620  239.214 7.7511  236.241 7.7915  2.973053       10.99030 
1 1 1 -14 -6  27 o 35.568  5.2891  157.341    44.258   168.498    62.462   146.093    62.718   36.511  7.3056  33.909  7.7871  2.602875       10.67761 
1 1 1 -14 -6  28 o 95.940  3.8061  1118.68    88.603   858.555    124.885  1382.32    125.727  83.700  6.1932  106.588 4.8613  -22.88757      7.873269 
1 1 1 -14 -6  29 o 76.458  3.8954  712.418    72.027   678.216    101.527  747.074    102.199  74.405  5.6662  78.141  5.4238  -3.736748      7.843674 
1 1 1 -14 -6  30 o 219.850 7.5460  5907.32    402.537  5602.77    599.287  6157.67    543.359  212.727 11.655  223.839 10.004  -11.11133      15.35969 
1 1 1 -14 -6  31 o 127.607 5.9570  1985.05    184.444  1990.55    293.487  1981.46    237.123  126.952 9.5986  127.056 7.7283  -0.1037598     12.32310 
1 1 1 -14 -6  32 o 96.866  6.4490  1150.12    150.708  675.213    247.592  1429.64    189.952  72.292  14.617  107.901 7.2982  -35.60886      16.33810 
1 1 1 -14 -6  33 o 162.511 4.4770  3213.99    176.535  3295.42    252.275  3135.84    247.121  164.304 6.3279  160.273 6.3546  4.031693       8.967905 
1 1 1 -14 -6  34 o 57.847  4.6420  410.049    64.606   356.344    88.641   470.909    94.360   53.533  6.9911  61.765  6.3885  -8.232704      9.470444 
1 1 1 -14 -6  35 o 287.415 6.2776  10096.94   437.792  9946.77    622.417  10243.98   615.897  284.145 9.0277  288.469 8.7993  -4.323792      12.60661 
1 1 1 -14 -6  36 f 94.848  3.9743  1095.19    91.464   1063.60    129.559  1126.57    129.142  93.119  5.7624  95.879  5.5752  -2.759659      8.017951 
1 1 1 -14 -6  37 o 177.320 4.6713  3835.72    200.984  3809.96    287.825  3860.24    280.773  176.202 6.7321  177.423 6.5220  -1.220688      9.373276 
1 1 1 -14 -6  38 o 95.676  4.0268  1115.84    93.482   1182.73    132.738  1050.02    131.674  98.130  5.5980  92.377  5.9054  5.752884       8.137072 
1 1 1 -14 -6  39 o 24.056  6.6955  73.358     40.516   109.907    51.934   16.525     64.762   29.269  7.3290  20.031  8.2525  9.238373       11.03718 
1 1 1 -14 -6  40 o 89.607  4.0149  980.207    87.293   976.901    123.510  983.508    123.392  88.988  5.7509  89.296  5.7251  -0.3080444     8.114750 
1 1 1 -14 -6  41 o 73.605  4.1098  664.143    73.107   634.259    100.504  697.723    106.538  71.547  5.8403  75.047  5.8982  -3.500458      8.300453 
1 1 1 -14 -6  42 f 46.464  5.7563  269.968    63.507   224.212    76.492   371.484    113.936  41.744  7.8397  53.619  9.0816  -11.87502      11.99734 
1 1 1 -14 -6  43 o 79.803  5.1452  786.603    99.098   778.705    123.337  800.987    166.455  78.988  6.4928  79.212  8.8097  -0.2238846     10.94382 
1 1 1 -14 -6  44 o 138.973 5.7933  2387.98    195.354  2406.86    253.752  2360.49    306.094  138.411 7.5846  135.874 9.3411  2.537048       12.03257 
1 1 1 -14 -6  45 o 74.630  4.4455  686.048    80.135   639.544    112.482  733.979    114.195  71.410  6.5653  76.672  6.1910  -5.262283      9.023937 
1 1 1 -14 -6  46 o 45.507  5.6602  259.942    61.148   263.384    83.572   255.976    89.706   45.129  7.9209  44.229  8.6689  0.9004669      11.74265 
1 1 1 -14 -6  47 o 61.403  6.1477  473.103    90.364   622.460    233.935  446.908    97.968   65.905  14.970  59.398  6.9276  6.506477       16.49515 
1 1 1 -14 -6  48 o 108.293 6.2646  1466.60    163.908  1592.63    300.191  1413.07    195.646  109.156 11.507  105.496 7.6962  3.659958       13.84391 
1 1 1 -14 -6  49 o 26.395  8.9409  85.375     68.189   104.052    161.878  81.346     75.185   33.162  13.271  26.385  9.3635  6.777061       16.24146 
1 1 1 -14 -6  50 o 79.988  4.2058  789.830    81.340   741.608    116.216  836.137    113.884  76.682  6.3018  81.690  5.7829  -5.007851      8.553071 
1 1 1 -14 -6  51 o 42.395  5.6957  228.174    57.109   247.650    82.980   210.648    78.717   43.257  8.2061  39.737  8.4255  3.520271       11.76138 
1 1 1 -14 -6  52 o 99.021  4.2383  1211.00    101.832  1300.80    146.106  1126.16    142.007  101.601 5.9526  94.339  6.2390  7.261757       8.623091 
1 1 1 -14 -6  53 o 21.149  7.4068  52.648     46.922   167.489    68.697   -47.7791   64.241   35.258  8.1870  15.457  7.1698  19.80106       10.88272 
1 1 1 -14 -6  54 o 54.280  5.4556  373.150    70.880   351.730    99.413   395.297    101.087  51.345  8.2596  54.722  7.8371  -3.376141      11.38599 
1 1 1 -14 -6  55 o 12.845  5.9770  -37.0169   45.190   -65.9216   60.080   0.6390     68.574   13.918  6.6037  18.786  8.1425  -4.867502      10.48379 
1 1 1 -14 -6  56 o 21.595  8.2438  47.494     60.097   -11.1611   69.234   226.760    121.036  18.110  8.0057  39.335  11.767  -21.22519      14.23247 
1 1 1 -14 -6  57 o 63.848  6.0553  520.792    92.688   515.613    108.963  534.350    176.294  62.841  7.2810  60.169  12.484  2.672176       14.45249 
1 1 1 -14 -6  58 o 20.818  8.3717  33.778     64.766   33.778     64.766   0.0000     0.0000   20.818  8.3717  ?       ?       0.000000       8.371688 
1 1 1 -14 -6  59 o 50.892  7.4460  341.616    89.227   341.616    89.227   0.0000     0.0000   50.892  7.4460  ?       ?       0.000000       7.446025 
1 1 1 -14 -6  60 o 47.771  10.745  329.042    121.534  671.363    333.403  276.585    130.514  57.437  19.765  42.889  12.045  14.54718       23.14584 
1 1 1 -14 -5  1  o 196.449 4.7274  4693.50    225.337  4858.60    320.986  4533.08    316.412  199.639 6.6264  192.816 6.7631  6.823090       9.468301 
1 1 1 -14 -5  2  o 151.860 4.0339  2802.57    148.639  2851.85    212.199  2755.11    208.270  153.059 5.7137  150.441 5.7055  2.617676       8.074654 
1 1 1 -14 -5  3  o 111.686 3.6537  1515.33    99.013   1672.13    142.189  1367.71    137.956  117.255 4.9977  105.888 5.3872  11.36622       7.348433 
1 1 1 -14 -5  4  o 71.516  3.6762  622.921    63.576   683.164    104.292  587.296    80.200   74.699  5.7995  69.336  4.7965  5.362328       7.526025 
1 1 1 -14 -5  5  o 331.672 6.9618  13404.63   560.267  14598.80   794.643  12224.22   790.051  345.487 9.4793  315.911 10.307  29.57617       14.00317 
1 1 1 -14 -5  6  o 217.343 5.7662  5747.61    304.089  6007.24    377.243  5265.93    513.836  222.045 7.0019  207.396 10.211  14.64943       12.38092 
1 1 1 -14 -5  7  o 133.035 5.5742  2152.84    179.933  2341.84    278.656  2017.68    235.646  138.279 8.3443  128.425 7.5960  9.853851       11.28387 
1 1 1 -14 -5  8  o 96.307  6.6739  1134.79    154.995  0.0000     0.0000   1134.79    154.995  ?       ?       96.307  6.6739  0.000000       6.673930 
1 1 1 -14 -5  9  o 112.138 6.9687  1537.55    188.676  0.0000     0.0000   1537.55    188.676  ?       ?       112.138 6.9687  0.000000       6.968730 
1 1 1 -14 -5  10 o 106.937 5.1253  1390.38    132.989  0.0000     0.0000   1390.38    132.989  ?       ?       106.937 5.1253  0.000000       5.125335 
1 1 1 -14 -5  11 o 98.878  3.6279  1187.44    87.039   1331.62    124.687  1050.40    121.557  104.661 4.9099  92.777  5.4234  11.88440       7.315731 
1 1 1 -14 -5  12 o 124.949 3.7983  1896.41    115.156  1948.68    163.579  1845.05    162.141  126.584 5.3258  123.167 5.4254  3.417198       7.602609 
1 1 1 -14 -5  13 o 217.937 5.0663  5775.25    267.908  5856.82    380.056  5694.68    377.712  219.227 7.1448  216.164 7.2014  3.063446       10.14432 
1 1 1 -14 -5  14 o 329.684 6.9334  13244.03   554.633  13553.93   785.634  12936.12   783.110  332.819 9.7286  325.088 9.9279  7.730988       13.89995 
1 1 1 -14 -5  15 o 67.880  3.6590  561.343    60.043   616.326    86.262   509.669    83.626   71.012  5.0391  64.503  5.3926  6.509476       7.380596 
1 1 1 -14 -5  16 o 111.517 3.7447  1510.87    101.328  1615.28    143.974  1408.39    142.634  115.235 5.1491  107.444 5.4895  7.791153       7.526479 
1 1 1 -14 -5  17 o 157.558 4.1957  3017.27    160.403  3074.92    227.669  2960.45    226.030  158.913 5.9045  155.920 5.9745  2.992630       8.399810 
1 1 1 -14 -5  18 o 198.713 4.8115  4802.77    231.993  4871.33    329.137  4735.08    327.048  199.875 6.7866  197.052 6.8402  2.822952       9.635684 
1 1 1 -14 -5  19 o 170.935 4.4785  3553.02    185.748  3664.14    263.651  3443.50    261.736  173.396 6.2665  168.076 6.4179  5.320068       8.969859 
1 1 1 -14 -5  20 o 73.054  3.7107  650.194    65.559   672.185    92.083   627.589    93.360   74.141  5.1506  71.597  5.4141  2.544365       7.472687 
1 1 1 -14 -5  21 o 77.858  5.0984  740.870    95.784   735.655    123.457  748.755    151.818  77.384  6.6394  77.831  8.1604  -0.4477997     10.52021 
1 1 1 -14 -5  22 o 232.197 7.6468  6587.25    430.827  7052.62    589.483  6053.65    631.218  239.624 10.139  221.227 11.802  18.39682       15.55872 
1 1 1 -14 -5  23 o 149.701 5.8011  2729.75    210.715  2671.86    280.627  2804.57    319.050  147.654 7.8612  151.110 8.7390  -3.456329      11.75449 
1 1 1 -14 -5  24 o 62.437  5.2572  477.831    78.904   456.702    99.226   514.170    130.128  60.808  6.8440  64.272  8.5569  -3.463089      10.95723 
1 1 1 -14 -5  25 f 103.136 3.7417  1292.63    93.635   1391.02    133.535  1197.45    131.333  106.910 5.1477  99.021  5.4876  7.888664       7.524129 
1 1 1 -14 -5  26 o 229.195 5.3668  6394.90    298.458  6581.42    423.353  6210.60    420.825  232.133 7.5163  225.462 7.6924  6.669983       10.75490 
1 1 1 -14 -5  27 o 304.699 6.6042  11322.76   488.262  11233.49   692.697  11410.91   688.336  302.674 9.4320  305.100 9.2981  -2.426483      13.24452 
1 1 1 -14 -5  28 o 130.596 4.1363  2073.51    131.070  2279.32    185.778  1869.54    184.947  136.805 5.5967  123.849 6.1545  12.95614       8.318652 
1 1 1 -14 -5  29 o 255.514 5.7621  7953.83    357.241  7747.73    507.598  8156.10    502.866  251.615 8.3142  258.237 8.0255  -6.622040      11.55568 
1 1 1 -14 -5  30 o 159.305 6.4548  3095.62    249.501  3350.52    393.254  2923.89    322.786  164.853 9.8768  154.254 8.6591  10.59908       13.13514 
1 1 1 -14 -5  31 o 12.435  6.2152  -212.3785  77.754   -64.7891   159.699  -258.2343  89.017   26.798  11.983  13.004  6.5214  13.79434       13.64259 
1 1 1 -14 -5  32 o 200.730 7.2118  4925.35    351.254  4926.41    534.637  4924.54    465.920  199.440 11.092  200.136 9.5945  -0.6958923     14.66571 
1 1 1 -14 -5  33 o 201.885 4.9691  4963.97    243.414  4892.49    346.534  5033.58    341.991  200.014 7.1404  202.921 6.9458  -2.907043      9.961376 
1 1 1 -14 -5  34 o 232.297 5.4366  6580.33    306.432  6591.64    436.093  6569.30    430.678  231.885 7.7507  231.518 7.6666  0.3673553      10.90189 
1 1 1 -14 -5  35 f 40.318  5.6246  202.196    53.525   274.925    70.735   104.765    81.871   46.999  6.3666  29.730  9.7918  17.26871       11.67959 
1 1 1 -14 -5  36 o 83.124  4.0109  841.359    80.897   925.661    114.771  758.122    114.043  86.884  5.4720  78.499  6.0336  8.385368       8.145419 
1 1 1 -14 -5  37 o 125.409 4.1428  1916.72    126.062  1785.69    180.499  2041.50    176.139  120.558 6.1913  129.182 5.6194  -8.624481      8.361233 
1 1 1 -14 -5  38 o 59.571  4.3482  435.284    62.416   429.504    85.684   441.819    91.105   58.863  6.0871  59.646  6.3947  -0.7825623     8.828691 
1 1 1 -14 -5  39 o 113.602 4.0698  1574.83    112.183  1513.59    159.242  1635.17    158.066  110.855 5.9418  115.450 5.6426  -4.594238      8.194170 
1 1 1 -14 -5  40 o 109.140 4.0998  1454.87    108.571  1427.56    153.893  1481.94    153.194  107.565 5.9192  109.643 5.7787  -2.078186      8.272273 
1 1 1 -14 -5  41 o 16.384  6.3460  21.495     35.974   22.760     46.168   19.540     57.395   18.006  7.1252  19.236  7.8287  -1.230097      10.58572 
1 1 1 -14 -5  42 o 50.526  5.6588  318.380    68.183   362.348    82.476   223.456    121.185  53.734  6.4549  40.948  11.644  12.78610       13.31384 
1 1 1 -14 -5  43 o 35.910  6.6638  164.989    55.925   129.825    66.192   252.710    104.547  31.556  8.4683  43.651  10.075  -12.09481      13.16144 
1 1 1 -14 -5  44 o 76.967  3.9600  727.080    73.703   743.070    105.372  711.764    103.129  77.354  5.6532  75.698  5.6556  1.655991       7.996555 
1 1 1 -14 -5  45 o 35.643  6.6203  162.903    55.148   239.796    81.251   97.222     75.094   42.986  8.0868  28.124  9.3833  14.86125       12.38719 
1 1 1 -14 -5  46 o 97.006  4.1463  1154.07    97.594   1179.88    138.897  1128.91    137.156  97.381  5.9062  95.223  5.9664  2.158203       8.395321 
1 1 1 -14 -5  47 o 87.947  6.2887  967.768    133.312  879.646    244.919  1004.87    158.917  79.997  13.069  89.105  7.4177  -9.108437      15.02755 
1 1 1 -14 -5  48 o 109.763 6.2438  1507.23    165.604  1555.33    294.465  1484.97    200.277  107.821 11.430  108.116 7.6845  -0.2945099     13.77289 
1 1 1 -14 -5  49 o 43.865  8.1774  252.439    83.833   353.400    194.127  229.294    92.947   49.042  14.955  41.299  9.4764  7.742126       17.70479 
1 1 1 -14 -5  50 o 21.359  7.4158  53.298     46.986   102.260    68.765   10.418     64.352   28.122  8.9514  19.161  8.0838  8.960037       12.06129 
1 1 1 -14 -5  51 f 54.025  4.9768  365.229    64.506   436.116    93.748   301.489    88.896   58.377  6.7425  47.925  7.9214  10.45206       10.40240 
1 1 1 -14 -5  52 o 43.473  5.5967  240.149    57.665   274.310    82.362   207.301    80.763   45.658  7.7089  39.162  8.7229  6.495876       11.64113 
1 1 1 -14 -5  53 f 67.824  4.4532  572.692    72.879   527.115    104.427  615.968    101.759  63.966  6.8340  69.599  6.0868  -5.633400      9.151635 
1 1 1 -14 -5  54 o 15.001  6.6605  -12.6399   48.434   33.010     64.592   -71.2775   73.206   20.763  8.3566  15.649  7.3843  5.114515       11.15173 
1 1 1 -14 -5  55 o 22.139  7.8946  57.692     53.508   25.091     70.412   102.251    82.318   20.722  8.5774  28.151  9.8133  -7.428249      13.03349 
1 1 1 -14 -5  56 o 19.162  7.8805  21.816     58.924   43.795     67.335   -50.0433   121.755  21.917  8.6264  22.048  10.097  -0.1313267     13.28040 
1 1 1 -14 -5  57 o 28.654  9.3473  109.569    74.673   109.569    74.673   0.0000     0.0000   28.654  9.3473  ?       ?       0.000000       9.347279 
1 1 1 -14 -5  58 o 33.063  9.5027  151.789    80.286   151.789    80.286   0.0000     0.0000   33.063  9.5027  ?       ?       0.000000       9.502712 
1 1 1 -14 -5  59 o 26.806  8.0554  96.318     56.625   48.190     73.680   165.756    88.501   22.800  9.0078  34.279  10.013  -11.47933      13.46871 
1 1 1 -14 -5  60 o 45.864  10.894  306.467    119.433  692.223    331.445  248.905    128.034  58.078  19.712  40.577  12.095  17.50137       23.12657 
1 1 1 -14 -4  1  o 217.157 5.1294  5736.75    270.276  6077.17    383.974  5402.47    380.505  223.231 7.0890  210.418 7.4527  12.81364       10.28573 
1 1 1 -14 -4  2  o 125.583 3.7709  1916.03    114.904  2020.32    164.138  1815.81    160.907  128.871 5.2492  122.163 5.4284  6.708015       7.551244 
1 1 1 -14 -4  3  o 28.262  4.3979  99.378     29.178   82.972     43.826   112.439    39.104   25.661  6.8924  29.919  5.5922  -4.257944      8.875706 
1 1 1 -14 -4  4  o 82.816  3.4707  832.963    69.742   929.751    100.743  743.891    96.644   87.324  4.7727  78.046  5.1320  9.278229       7.008316 
1 1 1 -14 -4  5  o 276.122 6.9865  9288.38    468.082  10483.99   798.265  8661.87    577.851  292.391 11.252  266.295 8.9431  26.09650       14.37290 
1 1 1 -14 -4  6  o 265.894 8.3244  8626.37    537.066  8754.02    785.519  8514.32    735.952  267.005 12.125  263.479 11.512  3.525269       16.71913 
1 1 1 -14 -4  7  o 107.115 6.8684  1402.94    177.572  0.0000     0.0000   1402.94    177.572  ?       ?       107.115 6.8684  0.000000       6.868377 
1 1 1 -14 -4  8  o 56.238  6.6893  390.452    89.490   0.0000     0.0000   390.452    89.490   ?       ?       56.238  6.6893  0.000000       6.689286 
1 1 1 -14 -4  9  o 122.088 5.3983  1812.47    159.916  0.0000     0.0000   1812.47    159.916  ?       ?       122.088 5.3983  0.000000       5.398292 
1 1 1 -14 -4  10 o 60.763  3.5835  449.944    52.599   459.206    75.468   441.194    73.351   61.246  5.1254  60.029  5.0837  1.216827       7.218984 
1 1 1 -14 -4  11 f 106.535 3.6568  1378.42    94.528   1453.73    135.064  1306.11    132.343  109.351 5.0904  103.508 5.2871  5.843224       7.339299 
1 1 1 -14 -4  12 o 270.135 5.9800  8879.30    391.962  8932.74    555.735  8826.40    552.911  270.547 8.4657  268.930 8.4733  1.616547       11.97764 
1 1 1 -14 -4  13 o 275.450 6.0298  9233.52    403.004  9406.89    571.300  9061.80    568.578  277.603 8.4815  272.440 8.6011  5.163055       12.07956 
1 1 1 -14 -4  14 o 82.953  3.6171  835.800    72.804   864.387    103.321  807.609    102.603  84.159  5.0836  81.323  5.2274  2.835632       7.291660 
1 1 1 -14 -4  15 o 18.610  6.2886  39.128     33.732   85.696     46.974   -10.4525   48.470   26.115  7.1869  15.560  6.7938  10.55535       9.889765 
1 1 1 -14 -4  16 o 125.022 3.8659  1899.11    117.275  1931.13    166.689  1867.72    165.027  125.980 5.4531  123.892 5.4897  2.087852       7.737760 
1 1 1 -14 -4  17 o 212.349 5.0783  5485.30    261.656  5708.81    371.149  5264.45    368.935  216.361 7.0698  207.731 7.3195  8.629593       10.17631 
1 1 1 -14 -4  18 o 210.372 5.0282  5384.13    256.662  5700.25    364.058  5071.74    361.902  216.189 6.9402  203.863 7.3163  12.32613       10.08435 
1 1 1 -14 -4  19 o 221.307 5.0951  5959.61    273.597  6236.12    388.054  5686.29    385.806  226.071 7.0743  215.823 7.3673  10.24843       10.21385 
1 1 1 -14 -4  20 o 301.961 6.5701  11118.71   481.375  11235.17   681.892  11003.01   679.646  302.770 9.2819  299.604 9.3491  3.166504       13.17425 
1 1 1 -14 -4  21 o 282.087 8.6256  9740.42    590.385  9415.19    814.194  10101.03   857.337  276.131 12.152  285.926 12.358  -9.795074      17.33153 
1 1 1 -14 -4  22 o 131.783 5.6205  2114.91    179.720  2276.99    238.195  1900.68    273.843  136.384 7.2236  124.218 9.1500  12.16666       11.65776 
1 1 1 -14 -4  23 f 23.145  7.6181  62.482     49.560   57.570     60.256   72.754     87.133   23.476  8.3770  27.271  10.026  -3.795231      13.06476 
1 1 1 -14 -4  24 o 337.581 7.1652  13909.49   586.909  13810.94   831.328  14007.42   828.707  335.342 10.217  337.761 10.112  -2.418915      14.37477 
1 1 1 -14 -4  25 o 103.760 3.7276  1308.31    93.848   1308.79    132.874  1307.83    132.568  103.558 5.3058  103.521 5.2954  0.3709412E-01  7.496221 
1 1 1 -14 -4  26 o 188.410 4.6786  4317.88    213.886  4137.80    303.412  4495.76    301.557  184.175 6.7895  192.024 6.4722  -7.848984      9.380090 
1 1 1 -14 -4  27 o 173.740 4.5726  3671.35    192.766  3597.34    274.838  3743.00    270.439  171.747 6.5951  175.221 6.3609  -3.474487      9.162813 
1 1 1 -14 -4  28 o 128.373 4.1269  2003.50    128.548  2203.17    182.553  1807.11    181.046  134.500 5.5937  121.609 6.1556  12.89060       8.317559 
1 1 1 -14 -4  29 o 109.700 6.2555  1471.92    165.817  1450.44    273.562  1484.39    208.481  108.086 10.566  109.908 7.8697  -1.821892      13.17470 
1 1 1 -14 -4  30 o 90.005  6.3784  992.954    138.395  1048.34    241.383  965.831    168.915  91.585  11.088  88.509  7.9501  3.075760       13.64370 
1 1 1 -14 -4  31 o 165.497 8.8682  3368.40    354.818  0.0000     0.0000   3368.40    354.818  ?       ?       165.497 8.8682  0.000000       8.868161 
1 1 1 -14 -4  32 f 177.176 4.7589  3821.20    204.585  3614.63    292.037  4020.27    286.690  171.986 6.9981  181.467 6.5110  -9.481598      9.558620 
1 1 1 -14 -4  33 o 179.382 4.6494  3917.51    202.369  3948.31    289.046  3887.89    283.422  179.763 6.6268  178.397 6.5476  1.365784       9.315851 
1 1 1 -14 -4  34 o 39.261  5.6250  191.837    52.055   232.578    69.660   140.318    78.335   43.076  6.8975  33.280  9.3266  9.795525       11.59999 
1 1 1 -14 -4  35 o 121.070 4.1605  1784.62    122.221  1803.69    174.390  1766.22    171.344  121.495 5.9156  120.232 5.8733  1.262398       8.336117 
1 1 1 -14 -4  36 o 45.055  5.2854  251.242    56.683   180.239    75.640   342.184    85.604   37.497  8.5087  52.374  6.9045  -14.87774      10.95765 
1 1 1 -14 -4  37 o 83.551  4.0462  850.745    82.029   838.077    115.559  863.612    116.459  82.531  5.8077  83.793  5.7630  -1.262321      8.181748 
1 1 1 -14 -4  38 o 79.751  4.0790  777.743    78.667   776.998    110.857  778.498    111.652  79.396  5.7944  79.466  5.8313  -0.6938934E-01 8.220646 
1 1 1 -14 -4  39 o 100.265 3.9528  1226.67    96.164   1179.01    137.581  1272.20    134.467  97.804  5.8238  101.701 5.4692  -3.896996      7.989298 
1 1 1 -14 -4  40 o 139.693 4.2533  2385.39    144.166  2434.25    206.983  2339.35    200.915  140.572 6.0684  137.825 6.0079  2.746597       8.539319 
1 1 1 -14 -4  41 o 103.993 5.3286  1332.77    134.005  1303.44    170.066  1380.80    217.636  102.307 6.8910  104.548 8.6572  -2.241135      11.06493 
1 1 1 -14 -4  42 o 17.742  7.1037  20.111     46.413   37.432     54.737   -24.2006   87.550   20.546  7.8619  20.216  8.9664  0.3298512      11.92495 
1 1 1 -14 -4  43 o 53.863  5.4547  361.248    70.307   348.813    86.171   386.008    121.596  52.507  6.9331  54.356  9.5690  -1.848438      11.81669 
1 1 1 -14 -4  44 o 78.688  4.1224  760.711    78.435   872.904    115.504  664.705    106.848  83.840  5.7118  72.992  6.0884  10.84805       8.348292 
1 1 1 -14 -4  45 o 37.643  6.4065  180.749    56.420   205.103    82.949   159.782    76.965   39.457  8.8787  34.791  9.0363  4.666649       12.66831 
1 1 1 -14 -4  46 o 56.264  4.9126  392.842    66.395   490.985    95.544   301.189    92.331   62.501  6.3901  48.213  8.1853  14.28791       10.38423 
1 1 1 -14 -4  47 o 85.827  6.4560  923.965    133.463  651.731    252.203  1029.85    157.292  66.707  15.821  90.264  7.2427  -23.55653      17.40018 
1 1 1 -14 -4  48 o 105.979 6.5433  1410.78    167.437  901.190    302.085  1636.76    201.166  77.747  16.523  113.695 7.3311  -35.94761      18.07612 
1 1 1 -14 -4  49 f 68.397  4.4666  579.116    73.720   649.951    105.333  511.104    103.212  71.878  6.0970  63.394  6.8171  8.484272       9.145886 
1 1 1 -14 -4  50 o 25.404  7.4426  83.963     48.829   138.614    71.320   35.745     66.992   32.153  8.8585  21.461  8.5542  10.69258       12.31449 
1 1 1 -14 -4  51 o 21.006  7.4232  50.784     47.206   65.126     68.824   38.042     64.869   24.198  8.9081  21.377  8.4500  2.821295       12.27836 
1 1 1 -14 -4  52 o 70.056  4.4802  610.391    75.758   610.662    107.393  610.123    106.886  69.165  6.4745  69.150  6.4446  0.1497650E-01  9.135204 
1 1 1 -14 -4  53 o 21.212  7.7037  50.560     51.221   6.4655     67.875   108.890    78.066   19.142  8.1967  28.754  9.5659  -9.612288      12.59731 
1 1 1 -14 -4  54 o 67.459  4.9484  571.060    80.432   467.286    108.628  697.000    119.669  59.600  7.6910  73.535  6.7834  -13.93468      10.25504 
1 1 1 -14 -4  55 o 66.206  5.0402  551.149    80.359   536.550    111.052  567.196    116.427  64.136  7.2642  65.867  7.4137  -1.730988      10.37943 
1 1 1 -14 -4  56 o 62.518  6.3892  502.101    95.558   502.754    112.456  500.405    181.254  61.832  7.6596  57.534  13.256  4.298264       15.31018 
1 1 1 -14 -4  57 o 31.469  9.4358  136.192    77.758   136.192    77.758   0.0000     0.0000   31.469  9.4358  ?       ?       0.000000       9.435768 
1 1 1 -14 -4  58 o 36.367  6.8127  174.282    57.907   122.063    77.242   241.288    87.498   29.950  9.4822  41.956  8.8722  -12.00629      12.98568 
1 1 1 -14 -4  59 o 59.103  7.5266  460.922    105.488  193.205    338.441  489.730    111.019  39.931  17.674  60.838  7.6926  -20.90696      19.27515 
1 1 1 -14 -4  60 o 38.622  11.354  222.126    113.464  608.410    326.775  169.170    120.991  53.879  19.475  34.152  11.898  19.72699       22.82134 
1 1 1 -14 -3  1  o 147.163 4.0169  2631.62    143.435  2638.08    204.145  2625.32    201.575  147.224 5.7147  146.873 5.6563  0.3516083      8.040627 
1 1 1 -14 -3  2  o 203.253 6.6113  5032.34    326.053  5222.05    460.271  4841.25    461.950  206.661 9.1789  198.915 9.5711  7.745148       13.26119 
1 1 1 -14 -3  3  o 140.111 3.9415  2384.93    133.996  2377.01    190.713  2392.64    188.309  139.779 5.6231  140.244 5.5338  -0.4649353     7.889329 
1 1 1 -14 -3  4  o 151.205 4.1158  2777.70    151.001  3011.75    215.289  2551.06    211.849  157.348 5.6389  144.787 6.0302  12.56104       8.255969 
1 1 1 -14 -3  5  o 232.171 7.5106  6569.44    423.106  6797.42    623.989  6375.42    575.655  235.570 10.917  228.243 10.394  7.327606       15.07379 
1 1 1 -14 -3  6  o 205.771 9.4680  5173.07    472.724  0.0000     0.0000   5173.07    472.724  ?       ?       205.771 9.4680  0.000000       9.468005 
1 1 1 -14 -3  7  o 197.008 9.1936  4739.27    439.472  0.0000     0.0000   4739.27    439.472  ?       ?       197.008 9.1936  0.000000       9.193556 
1 1 1 -14 -3  8  o 62.122  6.5853  474.957    97.748   0.0000     0.0000   474.957    97.748   ?       ?       62.122  6.5853  0.000000       6.585268 
1 1 1 -14 -3  9  o 60.889  4.4886  452.915    65.847   358.200    140.008  479.815    74.614   53.102  11.218  62.636  4.9498  -9.533844      12.26131 
1 1 1 -14 -3  10 o 212.891 5.0436  5509.31    260.535  5665.96    369.869  5355.02    367.051  215.694 7.0672  209.675 7.2147  6.018860       10.09932 
1 1 1 -14 -3  11 o 212.060 5.0675  5466.74    260.744  5256.63    369.562  5675.01    367.939  207.717 7.3325  215.862 7.0248  -8.145157      10.15451 
1 1 1 -14 -3  12 o 233.360 6.1569  6627.05    348.622  7500.61    591.281  6161.55    431.627  247.675 9.8389  224.790 7.9135  22.88487       12.62645 
1 1 1 -14 -3  13 o 152.313 4.2197  2818.78    155.948  2937.21    221.608  2702.61    219.496  155.370 5.8783  149.022 6.0703  6.348236       8.450073 
1 1 1 -14 -3  14 o 143.623 4.0172  2506.14    139.995  2572.39    199.031  2441.26    196.951  145.409 5.6411  141.648 5.7304  3.760941       8.041138 
1 1 1 -14 -3  15 o 205.018 4.9093  5110.86    244.217  5346.97    346.660  4878.23    344.103  209.482 6.8202  200.054 7.0889  9.427551       9.837005 
1 1 1 -14 -3  16 o 149.281 4.1162  2708.12    149.094  2743.91    211.701  2672.89    210.011  150.139 5.8112  148.181 5.8410  1.958267       8.239365 
1 1 1 -14 -3  17 o 336.495 7.1561  13810.48   584.280  13791.05   827.769  13829.77   824.832  335.348 10.173  335.836 10.122  -0.4883728     14.35092 
1 1 1 -14 -3  18 o 318.724 6.7750  12386.82   523.948  12744.19   742.440  12032.26   739.516  322.508 9.4876  313.291 9.7283  9.216827       13.58873 
1 1 1 -14 -3  19 o 185.843 4.6510  4200.59    209.729  4264.24    297.858  4138.00    295.360  187.015 6.5640  184.220 6.6077  2.795120       9.313836 
1 1 1 -14 -3  20 o 115.587 3.8565  1623.75    108.161  1646.90    153.595  1600.98    152.338  116.306 5.4426  114.671 5.4751  1.635529       7.720029 
1 1 1 -14 -3  21 o 83.135  5.1402  844.346    103.180  788.520    133.350  927.628    162.874  80.094  6.9299  86.779  7.8192  -6.685135      10.44816 
1 1 1 -14 -3  22 o 296.588 9.1649  10778.50   659.547  11199.35   911.652  10316.32   955.364  301.054 12.480  288.427 13.651  12.62692       18.49617 
1 1 1 -14 -3  23 o 334.692 10.056  13752.22   816.688  13914.57   1132.80  13576.52   1178.49  334.848 13.943  330.341 14.703  4.506805       20.26250 
1 1 1 -14 -3  24 o 136.250 3.9845  2256.39    131.726  2218.36    187.500  2293.45    185.101  134.963 5.7256  137.243 5.5584  -2.280182      7.979915 
1 1 1 -14 -3  25 o 94.533  3.7393  1085.95    85.769   1186.39    121.533  986.302    121.061  98.607  5.0969  89.829  5.5818  8.778275       7.558804 
1 1 1 -14 -3  26 o 152.999 4.2098  2845.92    156.283  2743.74    221.783  2946.71    220.259  150.054 6.0914  155.534 5.8364  -5.479309      8.436145 
1 1 1 -14 -3  27 o 188.919 4.7640  4341.85    218.379  4165.69    310.622  4514.01    307.078  184.765 6.9286  192.390 6.5781  -7.624176      9.553948 
1 1 1 -14 -3  28 o 131.870 4.1857  2114.31    133.930  2150.47    191.040  2079.37    187.811  132.849 5.9265  130.634 5.9252  2.214661       8.380424 
1 1 1 -14 -3  29 o 152.183 6.5051  2824.94    240.206  2523.12    373.822  3037.20    313.492  142.743 10.875  157.332 8.2406  -14.58963      13.64448 
1 1 1 -14 -3  30 o 224.925 7.8375  6188.03    427.741  5611.69    640.669  6651.55    574.552  212.531 12.478  232.548 10.182  -20.01720      16.10564 
1 1 1 -14 -3  31 o 119.108 6.2253  1735.21    179.289  1865.06    297.909  1661.46    224.496  122.711 10.095  116.231 8.0091  6.479813       12.88621 
1 1 1 -14 -3  32 o 117.364 4.1025  1675.38    116.828  1786.35    167.504  1570.27    163.026  121.044 5.7032  113.309 5.9505  7.734932       8.242231 
1 1 1 -14 -3  33 o 265.474 5.9402  8600.74    382.636  8542.68    543.800  8657.67    538.498  263.768 8.4968  265.589 8.3562  -1.821350      11.91727 
1 1 1 -14 -3  34 o 134.824 4.1735  2212.51    136.532  2209.88    194.697  2215.05    191.513  134.514 5.9652  134.687 5.8601  -0.1729279     8.362114 
1 1 1 -14 -3  35 o 76.327  3.9540  711.081    72.977   719.493    104.138  702.964    102.297  76.541  5.6472  75.658  5.6124  0.8832474      7.961782 
1 1 1 -14 -3  36 o 149.387 4.2641  2719.86    154.560  2663.16    220.415  2774.72    216.792  147.455 6.1605  150.564 5.9342  -3.108322      8.553741 
1 1 1 -14 -3  37 o 103.611 3.9385  1308.33    99.015   1400.96    141.620  1219.75    138.489  106.853 5.4807  99.625  5.7535  7.228180       7.946148 
1 1 1 -14 -3  38 o 80.415  3.9306  788.628    76.694   805.623    108.778  771.829    108.149  80.878  5.5771  79.136  5.6699  1.742401       7.953098 
1 1 1 -14 -3  39 o 82.168  3.9025  823.922    77.805   901.700    111.690  750.594    108.447  85.564  5.4075  77.950  5.7749  7.613937       7.911410 
1 1 1 -14 -3  40 o 72.750  3.9995  648.487    70.328   700.699    100.039  597.469    98.889   75.306  5.5132  69.404  5.9290  5.901489       8.096233 
1 1 1 -14 -3  41 o 20.239  7.2779  43.504     45.566   56.036     54.343   13.833     83.617   22.514  7.9637  22.032  9.2505  0.4818077      12.20620 
1 1 1 -14 -3  42 o 51.254  5.7031  327.970    69.723   330.030    83.819   323.341    125.616  51.078  6.9431  49.271  10.805  1.806568       12.84329 
1 1 1 -14 -3  43 f 107.755 4.3696  1423.94    114.246  1366.87    178.533  1463.52    148.672  104.445 7.0867  108.711 5.6558  -4.265518      9.066942 
1 1 1 -14 -3  44 o 32.993  6.6933  140.170    51.751   225.536    77.875   72.656     69.255   41.700  7.9874  25.328  8.9868  16.37179       12.02336 
1 1 1 -14 -3  45 o 15.359  6.6161  -2.4196    44.713   82.443     69.291   -62.9691   58.530   26.294  9.0124  13.997  6.6041  12.29718       11.17309 
1 1 1 -14 -3  46 f 92.200  6.4353  1064.11    143.065  491.484    196.352  1712.11    208.875  58.985  13.940  116.488 7.4287  -57.50233      15.79580 
1 1 1 -14 -3  47 o 11.527  5.6575  -106.7618  54.322   174.639    159.895  -143.4784  57.757   37.407  13.607  10.994  5.4729  26.41277       14.66642 
1 1 1 -14 -3  48 o 46.870  8.1679  286.996    89.513   9.8962     196.264  359.775    100.583  31.047  13.610  52.611  8.1423  -21.56335      15.85995 
1 1 1 -14 -3  49 o 35.395  6.6001  162.125    54.597   280.801    79.196   54.639     75.370   46.613  7.2368  23.900  9.2056  22.71323       11.70958 
1 1 1 -14 -3  50 o 40.097  5.7543  204.701    54.380   244.435    80.884   171.925    73.461   43.028  8.0429  35.784  8.5731  7.244228       11.75532 
1 1 1 -14 -3  51 o 68.689  4.5424  586.700    75.280   646.139    109.567  533.554    103.606  71.268  6.4045  64.566  6.7113  6.701241       9.276838 
1 1 1 -14 -3  52 o 37.476  6.0175  180.987    52.866   199.981    77.548   164.496    72.260   38.447  8.5354  34.796  8.6065  3.650936       12.12122 
1 1 1 -14 -3  53 o 34.631  7.3919  159.822    60.223   171.074    78.791   144.012    93.396   35.223  9.1401  32.363  10.446  2.860798       13.88016 
1 1 1 -14 -3  54 o 34.360  7.7818  158.987    63.371   147.091    83.699   174.966    97.008   32.571  9.7950  35.184  10.537  -2.613319      14.38636 
1 1 1 -14 -3  55 o 20.607  8.2683  33.413     63.021   28.930     70.287   51.794     142.329  21.003  8.6186  28.203  11.967  -7.199881      14.74731 
1 1 1 -14 -3  56 o 40.197  9.0327  222.249    85.952   222.249    85.952   0.0000     0.0000   40.197  9.0327  ?       ?       0.000000       9.032712 
1 1 1 -14 -3  57 o 32.129  7.7373  139.164    59.598   71.932     79.728   224.307    89.722   25.315  9.5353  40.220  9.3681  -14.90442      13.36723 
1 1 1 -14 -3  58 o 64.827  4.9087  528.098    76.639   524.043    105.294  532.667    111.765  63.505  6.9466  63.779  7.3570  -0.2744789     10.11836 
1 1 1 -14 -3  59 o 28.872  10.733  104.940    100.372  -261.3197  309.505  147.987    106.106  29.040  14.086  32.495  11.152  -3.454336      17.96634 
1 1 1 -14 -2  1  o 101.840 3.5654  1259.76    88.103   1302.59    125.955  1218.72    123.282  103.497 5.0156  99.976  5.0990  3.520798       7.152367 
1 1 1 -14 -2  2  o 71.726  3.4777  624.815    60.524   672.349    87.208   580.645    84.066   74.207  4.8704  68.918  5.0626  5.289047       7.024997 
1 1 1 -14 -2  3  o 232.415 5.3372  6569.03    300.984  6997.58    426.741  6144.81    424.578  239.621 7.3397  224.481 7.7950  15.14003       10.70664 
1 1 1 -14 -2  4  o 62.532  3.5482  476.397    53.615   571.060    77.455   389.313    74.289   68.387  4.6963  56.312  5.5076  12.07476       7.237974 
1 1 1 -14 -2  5  o 109.537 5.2865  1458.81    140.505  1411.81    222.262  1490.10    181.335  107.227 8.6155  110.421 6.8012  -3.193993      10.97649 
1 1 1 -14 -2  6  o 28.268  8.0204  99.853     57.558   0.0000     0.0000   99.853     57.558   ?       ?       28.268  8.0204  0.000000       8.020372 
1 1 1 -14 -2  7  o 129.308 7.3209  2043.09    228.755  0.0000     0.0000   2043.09    228.755  ?       ?       129.308 7.3209  0.000000       7.320922 
1 1 1 -14 -2  8  o 19.884  6.9266  42.809     41.008   0.0000     0.0000   42.809     41.008   ?       ?       19.884  6.9266  0.000000       6.926582 
1 1 1 -14 -2  9  o 139.605 4.0502  2367.39    137.196  2528.99    196.607  2214.01    191.541  144.210 5.6187  134.918 5.8510  9.292511       8.111974 
1 1 1 -14 -2  10 o 29.960  5.1991  112.261    36.424   43.562     52.464   176.191    50.610   21.211  7.7822  37.638  5.7220  -16.42713      9.659454 
1 1 1 -14 -2  11 o 115.967 4.3297  1633.95    121.831  1519.53    152.940  1832.63    201.533  111.633 5.6649  122.497 6.8072  -10.86443      8.856045 
1 1 1 -14 -2  12 o 65.091  3.7083  516.260    58.325   486.265    82.768   545.846    82.204   62.998  5.4689  66.812  5.1095  -3.813679      7.484416 
1 1 1 -14 -2  13 o 231.210 5.3421  6501.19    299.697  6612.48    424.901  6391.00    422.779  232.906 7.5187  228.959 7.6101  3.946991       10.69787 
1 1 1 -14 -2  14 o 67.209  3.7007  550.339    60.117   549.564    85.300   551.104    84.739   67.014  5.2889  67.113  5.2454  -0.9939575E-01 7.448935 
1 1 1 -14 -2  15 o 97.436  3.7061  1153.29    87.620   1087.09    123.999  1219.29    123.828  94.373  5.4381  99.997  5.1207  -5.623901      7.469566 
1 1 1 -14 -2  16 o 154.289 4.1470  2893.01    155.250  2856.17    220.585  2929.18    218.544  153.166 5.9354  155.123 5.8063  -1.956955      8.303120 
1 1 1 -14 -2  17 o 166.742 4.3522  3379.82    176.085  3390.75    250.362  3369.12    247.702  166.842 6.1844  166.314 6.1382  0.5278168      8.713454 
1 1 1 -14 -2  18 o 134.007 3.9946  2182.52    129.888  2187.60    184.419  2177.52    182.968  134.042 5.6703  133.735 5.6385  0.3063354      7.996540 
1 1 1 -14 -2  19 o 207.899 4.9656  5258.74    250.490  5283.40    355.396  5234.40    353.109  208.085 7.0389  207.120 7.0262  0.9650726      9.945560 
1 1 1 -14 -2  20 o 218.589 7.2658  5833.32    385.369  5907.36    525.363  5747.08    567.004  219.393 9.8690  215.875 10.859  3.517715       14.67397 
1 1 1 -14 -2  21 o 224.285 7.5658  6144.66    411.735  6842.64    562.803  5340.94    603.932  236.130 9.8229  207.694 12.036  28.43585       15.53524 
1 1 1 -14 -2  22 o 110.816 5.3691  1494.92    144.368  1599.20    189.358  1350.16    223.100  114.292 6.8599  104.643 8.8702  9.648552       11.21332 
1 1 1 -14 -2  23 o 102.505 3.7745  1276.89    93.879   1325.06    133.700  1230.04    131.850  104.202 5.3055  100.372 5.4341  3.830399       7.594584 
1 1 1 -14 -2  24 o 166.202 4.4531  3359.06    179.584  3364.04    255.183  3354.16    252.775  166.129 6.3305  165.891 6.2798  0.2380676      8.916942 
1 1 1 -14 -2  25 o 211.312 5.0988  5433.86    261.430  5283.56    371.001  5582.10    368.447  208.027 7.3501  213.868 7.1001  -5.841446      10.21935 
1 1 1 -14 -2  26 o 158.244 4.3343  3044.80    166.421  3087.26    237.339  3003.73    233.419  159.164 6.1455  156.998 6.1274  2.165939       8.678308 
1 1 1 -14 -2  27 o 230.695 5.2854  6478.62    295.855  6465.06    420.423  6491.92    416.409  230.053 7.5317  230.549 7.4438  -0.4955292     10.58947 
1 1 1 -14 -2  28 o 91.886  5.7497  1032.51    127.545  1093.61    219.721  1001.46    156.638  93.893  9.7883  90.280  7.2107  3.612816       12.15749 
1 1 1 -14 -2  29 o 205.767 7.1958  5171.14    359.266  5276.49    543.968  5089.63    478.469  206.696 10.885  203.590 9.6858  3.105850       14.57009 
1 1 1 -14 -2  30 o 157.133 6.3803  3012.06    243.259  2911.35    382.767  3080.30    315.070  153.467 10.339  158.407 8.2256  -4.940582      13.21223 
1 1 1 -14 -2  31 o 121.017 4.5255  1782.02    132.884  1773.00    167.889  1797.17    217.426  120.602 5.7373  121.002 7.4416  -0.4005508     9.396467 
1 1 1 -14 -2  32 o 159.255 4.4501  3086.53    171.958  3166.00    245.356  3009.81    241.071  161.044 6.2790  157.014 6.3277  4.029984       8.914311 
1 1 1 -14 -2  33 o 105.872 3.9764  1363.62    102.149  1340.69    145.540  1385.88    143.404  104.665 5.7529  106.448 5.5715  -1.783203      8.008566 
1 1 1 -14 -2  34 o 61.124  4.1743  456.927    61.539   428.677    87.439   484.653    86.625   58.898  6.2122  62.740  5.7544  -3.842175      8.467820 
1 1 1 -14 -2  35 o 96.139  3.9066  1125.27    91.130   1147.98    130.292  1103.52    127.507  96.771  5.5724  94.874  5.5632  1.896919       7.874097 
1 1 1 -14 -2  36 o 63.017  4.0996  485.974    62.344   509.525    88.597   462.874    87.743   64.274  5.7414  61.191  5.9863  3.082703       8.294597 
1 1 1 -14 -2  37 o 61.701  4.1453  466.404    61.701   531.136    87.657   402.838    86.865   65.623  5.5573  56.917  6.4009  8.706551       8.476707 
1 1 1 -14 -2  38 o 56.147  4.2443  387.075    57.396   326.459    81.083   447.953    81.257   51.048  6.7086  60.170  5.6312  -9.121540      8.758729 
1 1 1 -14 -2  39 o 118.340 4.0562  1710.41    116.470  1691.27    166.462  1728.76    163.019  117.255 5.8509  118.598 5.6649  -1.343231      8.143967 
1 1 1 -14 -2  40 o 82.870  3.9112  838.990    78.645   775.005    112.579  899.977    109.910  79.087  5.9093  85.417  5.3297  -6.329651      7.957733 
1 1 1 -14 -2  41 o 45.114  6.1097  255.860    65.160   242.705    77.735   286.941    119.487  43.506  7.6428  46.430  10.809  -2.923763      13.23767 
1 1 1 -14 -2  42 o 78.782  5.3838  768.291    102.299  790.444    126.951  727.269    172.752  79.508  6.6413  74.988  9.7233  4.520561       11.77497 
1 1 1 -14 -2  43 o 49.281  4.5337  300.571    53.604   297.880    74.849   303.403    76.803   48.556  6.5175  48.977  6.6335  -0.4207535     9.299543 
1 1 1 -14 -2  44 o 33.833  6.7129  147.319    53.163   84.196     77.930   202.270    72.710   27.008  9.5384  39.464  7.8694  -12.45588      12.36558 
1 1 1 -14 -2  45 o 98.017  4.2144  1178.72    100.231  1221.64    143.299  1137.60    140.246  99.056  5.9903  95.539  6.0815  3.517097       8.536299 
1 1 1 -14 -2  46 o 125.671 5.3224  1952.76    162.297  1677.73    339.533  2034.21    184.773  111.082 12.833  127.965 5.9509  -16.88239      14.14599 
1 1 1 -14 -2  47 o 50.509  7.1708  326.705    85.415   269.067    187.616  341.775    95.934   43.867  14.831  51.386  7.9510  -7.518806      16.82769 
1 1 1 -14 -2  48 o 32.352  7.3566  137.342    56.444   133.120    78.097   141.959    81.670   31.683  9.4465  32.633  9.6439  -0.9496193     13.49967 
1 1 1 -14 -2  49 o 59.558  4.8126  441.779    68.953   481.278    101.572  408.016    93.908   61.356  6.9450  56.411  7.0121  4.944878       9.869286 
1 1 1 -14 -2  50 o 42.462  5.6533  229.005    56.798   171.494    83.281   279.018    77.663   35.456  9.4919  46.381  7.1292  -10.92418      11.87107 
1 1 1 -14 -2  51 o 33.583  7.0645  148.708    55.742   121.249    84.423   169.931    74.221   30.256  9.9421  35.396  8.7029  -5.140377      13.21309 
1 1 1 -14 -2  52 o 18.945  7.2092  34.831     45.866   -34.2739   67.434   94.325     62.569   16.603  7.5695  26.809  8.5391  -10.20564      11.41113 
1 1 1 -14 -2  53 o 29.581  8.3040  118.447    62.044   106.800    79.478   136.620    99.275   28.533  9.6528  31.750  10.788  -3.217306      14.47608 
1 1 1 -14 -2  54 o 21.430  7.9480  50.112     54.976   -14.6441   71.331   144.859    86.281   18.185  8.0780  32.333  9.9895  -14.14805      12.84692 
1 1 1 -14 -2  55 o 61.430  7.8102  497.621    113.782  497.621    113.782  0.0000     0.0000   61.430  7.8102  ?       ?       0.000000       7.810168 
1 1 1 -14 -2  56 o 71.715  7.2065  668.136    123.702  668.136    123.702  0.0000     0.0000   71.715  7.2065  ?       ?       0.000000       7.206461 
1 1 1 -14 -2  57 o 51.635  5.6015  339.365    69.054   322.180    95.468   358.223    100.005  48.969  8.3332  51.740  8.2424  -2.770744      11.72088 
1 1 1 -14 -2  58 o 17.706  7.2345  19.417     49.257   32.204     63.983   0.8123     77.179   20.548  8.3005  19.766  8.6030  0.7813034      11.95447 
1 1 1 -14 -2  59 o 14.426  7.0624  -143.0210  83.005   -58.7250   280.269  -151.1256  86.904   31.351  14.685  14.696  7.2012  16.65500       16.35549 
1 1 1 -14 -1  1  o 114.726 3.7436  1598.84    104.211  1642.48    147.693  1555.57    147.062  116.212 5.2378  113.089 5.3594  3.123009       7.493851 
1 1 1 -14 -1  2  o 280.254 6.1606  9559.52    418.928  9884.23    592.637  9235.22    592.270  284.543 8.5837  274.984 8.8766  9.559784       12.34809 
1 1 1 -14 -1  3  o 219.910 5.1361  5879.62    274.060  6034.04    387.885  5725.69    387.275  222.552 7.1830  216.768 7.3631  5.783890       10.28645 
1 1 1 -14 -1  4  o 66.521  5.1261  541.120    82.100   565.889    140.075  528.158    101.330  67.542  8.7530  65.561  6.4535  1.981438       10.87490 
1 1 1 -14 -1  5  o 183.959 8.7897  4129.45    392.334  0.0000     0.0000   4129.45    392.334  ?       ?       183.959 8.7897  0.000000       8.789658 
1 1 1 -14 -1  6  o 295.379 12.528  10707.81   897.867  0.0000     0.0000   10707.81   897.867  ?       ?       295.379 12.528  0.000000       12.52759 
1 1 1 -14 -1  7  o 121.239 5.3299  1786.98    156.793  0.0000     0.0000   1786.98    156.793  ?       ?       121.239 5.3299  0.000000       5.329903 
1 1 1 -14 -1  8  o 123.007 3.8552  1837.65    115.063  2091.68    165.704  1601.10    159.898  131.175 5.2062  114.596 5.7690  16.57884       7.770849 
1 1 1 -14 -1  9  o 295.255 6.4317  10608.52   460.773  10536.20   652.274  10680.56   650.991  293.788 9.1502  295.810 9.0698  -2.021851      12.88363 
1 1 1 -14 -1  10 o 180.447 4.5466  3956.50    199.070  3924.13    281.928  3988.69    281.128  179.564 6.4707  181.042 6.3997  -1.477402      9.100928 
1 1 1 -14 -1  11 o 64.036  3.6854  499.663    57.021   611.521    80.862   389.025    80.420   70.777  4.7359  56.233  5.9861  14.54425       7.632934 
1 1 1 -14 -1  12 o 217.232 5.1086  5737.21    269.271  5775.75    381.246  5698.84    380.369  217.731 7.2164  216.272 7.2484  1.458572       10.22817 
1 1 1 -14 -1  13 o 278.680 7.0975  9462.54    479.925  9334.81    592.721  9705.70    817.802  276.467 8.8357  281.125 11.989  -4.657501      14.89320 
1 1 1 -14 -1  14 o 118.591 3.8440  1708.49    110.611  1800.89    156.977  1617.38    155.884  121.681 5.3168  115.301 5.5719  6.380806       7.701608 
1 1 1 -14 -1  15 o 178.852 4.5421  3888.48    197.113  3736.27    279.428  4039.24    278.097  175.128 6.5759  182.121 6.2932  -6.993515      9.101987 
1 1 1 -14 -1  16 o 316.701 6.7338  12224.43   517.452  12211.53   732.865  12237.24   730.715  315.798 9.5643  316.142 9.5258  -0.3439026     13.49875 
1 1 1 -14 -1  17 o 395.000 8.1342  19063.99   779.612  18794.25   1103.82  19332.49   1101.25  390.748 11.642  396.398 11.450  -5.649384      16.32905 
1 1 1 -14 -1  18 o 177.283 4.5522  3821.96    195.818  3874.40    277.902  3770.25    275.966  178.288 6.4240  175.870 6.4670  2.418106       9.115355 
1 1 1 -14 -1  19 o 349.360 7.3416  14901.26   622.343  15401.81   881.576  14403.99   878.685  354.119 10.260  342.324 10.579  11.79492       14.73688 
1 1 1 -14 -1  20 o 137.886 5.6009  2315.28    187.389  2147.78    248.319  2536.83    285.589  132.355 7.7663  143.795 8.2194  -11.44002      11.30813 
1 1 1 -14 -1  21 o 248.707 8.0069  7561.45    483.188  7839.08    662.896  7246.73    705.780  252.444 10.822  242.336 12.003  10.10759       16.16139 
1 1 1 -14 -1  22 o 74.375  5.2249  676.538    93.692   710.929    119.418  621.472    151.108  76.083  6.5320  70.680  9.0164  5.403374       11.13387 
1 1 1 -14 -1  23 o 121.216 3.9273  1785.82    115.509  1824.33    164.011  1747.93    162.705  122.409 5.5220  119.812 5.5967  2.596519       7.862321 
1 1 1 -14 -1  24 o 198.478 4.9204  4792.80    236.960  4852.79    336.668  4733.90    333.577  199.435 6.9572  196.973 6.9795  2.461533       9.854778 
1 1 1 -14 -1  25 o 94.787  3.7996  1091.86    87.387   1154.56    125.025  1031.97    122.192  97.247  5.3187  91.902  5.5051  5.345222       7.654690 
1 1 1 -14 -1  26 o ?       ?       -195.8124  27.443   -192.5603  39.965   -198.7139  37.750   ?       ?       ?       ?       0.000000       ?        
1 1 1 -14 -1  27 o 307.476 6.7259  11533.41   501.796  11605.75   711.969  11462.00   707.348  307.582 9.5397  305.672 9.5371  1.909821       13.48933 
1 1 1 -14 -1  28 o 182.339 6.7108  4056.58    296.907  4307.18    455.703  3871.74    391.378  186.962 10.083  177.486 9.1188  9.475922       13.59458 
1 1 1 -14 -1  29 o 154.326 6.3890  2904.98    239.242  2623.04    376.562  3095.81    309.804  145.560 10.738  158.864 8.0635  -13.30363      13.42819 
1 1 1 -14 -1  30 o 211.480 7.3516  5466.78    377.239  5594.78    571.250  5367.79    502.359  212.649 11.110  208.919 9.9099  3.729385       14.88745 
1 1 1 -14 -1  31 o ?       ?       -152.5739  34.803   -231.6926  52.597   -90.9546   46.417   ?       ?       10.776  5.2766  0.000000       5.276565 
1 1 1 -14 -1  32 o 145.187 4.2951  2565.09    151.308  2550.92    216.105  2578.72    211.919  144.555 6.1613  145.362 6.0083  -0.8074188     8.605886 
1 1 1 -14 -1  33 o 59.348  4.1874  430.805    59.913   388.016    84.667   473.720    84.791   55.996  6.3435  62.046  5.6957  -6.050190      8.525311 
1 1 1 -14 -1  34 o 177.236 4.5660  3827.84    196.358  3873.35    279.738  3783.63    275.690  177.889 6.4810  175.821 6.4623  2.067841       9.152249 
1 1 1 -14 -1  35 o 62.337  4.1415  475.504    62.287   487.461    88.569   463.803    87.612   62.853  5.8757  61.278  5.9682  1.574066       8.375149 
1 1 1 -14 -1  36 o 85.038  3.9239  881.197    80.965   900.263    115.599  862.837    113.436  85.580  5.5978  83.772  5.6132  1.808578       7.927348 
1 1 1 -14 -1  37 o 40.511  5.0819  203.875    48.854   225.163    67.449   180.381    70.858   42.248  6.8113  37.475  8.0339  4.772934       10.53269 
1 1 1 -14 -1  38 o 75.030  4.0040  689.048    72.631   720.550    102.848  657.707    102.584  76.418  5.5854  72.932  5.8461  3.486023       8.085393 
1 1 1 -14 -1  39 o 80.482  3.9550  791.108    77.234   780.025    109.890  801.926    108.573  79.426  5.7407  80.578  5.5877  -1.152000      8.011139 
1 1 1 -14 -1  40 o 32.707  7.2913  138.071    56.388   171.677    66.395   51.107     106.806  36.447  7.7465  26.838  10.765  9.608664       13.26285 
1 1 1 -14 -1  41 o 124.793 5.7032  1921.54    172.693  1976.40    221.141  1835.79    276.469  125.708 7.2813  119.831 9.5889  5.877625       12.04007 
1 1 1 -14 -1  42 o 76.234  5.4406  720.242    99.977   751.147    123.575  661.689    170.098  77.468  6.6383  71.243  10.125  6.224884       12.10696 
1 1 1 -14 -1  43 o 62.189  4.5522  477.398    68.213   507.089    101.019  452.514    92.482   63.505  6.6548  60.019  6.4518  3.486263       9.268815 
1 1 1 -14 -1  44 o 65.426  4.5654  528.451    72.021   614.116    107.682  459.111    96.879   69.994  6.4116  60.337  6.7321  9.657505       9.296780 
1 1 1 -14 -1  45 o 96.490  4.2038  1142.56    98.420   1201.46    142.070  1088.19    136.474  98.202  5.9910  93.416  6.0535  4.785851       8.516853 
1 1 1 -14 -1  46 o 19.969  7.8922  30.463     56.579   -156.9429  177.599  51.631     59.689   24.434  11.521  22.361  8.2839  2.073870       14.19033 
1 1 1 -14 -1  47 o 38.346  8.5882  195.017    77.921   289.440    173.859  171.283    87.166   45.046  14.222  35.690  9.7769  9.355942       17.25849 
1 1 1 -14 -1  48 o 55.242  6.1194  385.994    80.645   510.372    128.750  305.688    103.455  62.410  8.7420  47.846  9.2459  14.56443       12.72436 
1 1 1 -14 -1  49 o 49.130  5.1952  303.145    60.992   312.186    88.965   295.127    83.779   48.896  7.7577  47.623  7.4982  1.272598       10.78913 
1 1 1 -14 -1  50 o 16.774  6.8033  17.139     43.170   38.350     67.745   2.6371     56.016   21.677  8.6141  17.374  7.4430  4.302965       11.38429 
1 1 1 -14 -1  51 o 25.887  7.3902  88.492     48.714   69.587     71.724   104.681    66.371   24.719  9.0948  28.107  8.7743  -3.388073      12.63739 
1 1 1 -14 -1  52 o 52.682  5.6893  352.889    71.571   326.012    95.128   387.948    108.647  49.429  8.2203  53.781  8.6167  -4.351646      11.90889 
1 1 1 -14 -1  53 o 14.061  6.4916  -36.0031   51.764   -37.4343   64.806   -33.4809   86.034   16.020  7.3477  19.008  8.6211  -2.988165      11.32745 
1 1 1 -14 -1  54 o 28.846  9.8015  109.705    81.949   109.705    81.949   0.0000     0.0000   28.846  9.8015  ?       ?       0.000000       9.801491 
1 1 1 -14 -1  55 o 21.889  8.7785  39.128     71.005   39.128     71.005   0.0000     0.0000   21.889  8.7785  ?       ?       0.000000       8.778542 
1 1 1 -14 -1  56 o 33.466  7.4128  149.807    58.608   57.691     77.955   269.564    88.884   24.001  9.3292  44.641  8.5167  -20.63968      12.63200 
1 1 1 -14 -1  57 o 13.276  6.1407  -33.9756   46.636   3.4977     59.982   -91.2520   74.156   17.850  7.6760  14.967  7.1667  2.882413       10.50151 
1 1 1 -14 -1  58 o 43.831  9.9055  271.927    102.866  409.220    232.771  238.607    114.671  48.294  16.519  40.253  11.286  8.040928       20.00562 
1 1 1 -14 0   1  o 169.736 4.4653  3501.36    183.904  3728.72    259.655  3272.50    260.508  175.028 6.1140  163.932 6.5493  11.09599       8.959566 
1 1 1 -14 0   2  o 138.237 4.0354  2321.49    135.356  2373.63    191.548  2269.48    191.298  139.691 5.6513  136.584 5.7723  3.106964       8.078118 
1 1 1 -14 0   3  f 48.083  5.5442  284.873    63.498   262.027    114.412  295.043    76.332   45.376  10.585  48.789  6.6188  -3.412865      12.48444 
1 1 1 -14 0   4  o 66.102  6.4240  536.738    101.733  0.0000     0.0000   536.738    101.733  ?       ?       66.102  6.4240  0.000000       6.424033 
1 1 1 -14 0   5  o 191.380 9.0215  4470.35    418.928  0.0000     0.0000   4470.35    418.928  ?       ?       191.380 9.0215  0.000000       9.021481 
1 1 1 -14 0   6  o 188.549 8.9370  4338.19    408.865  0.0000     0.0000   4338.19    408.865  ?       ?       188.549 8.9370  0.000000       8.936992 
1 1 1 -14 0   7  o 8.1613  3.9945  -51.8620   26.509   -66.5297   40.591   -40.9529   35.006   10.645  5.1480  10.773  5.0906  -0.1285210     7.239874 
1 1 1 -14 0   8  o 184.650 5.3541  4145.15    239.881  4134.22    298.508  4165.06    403.046  184.299 6.6753  184.742 8.9914  -0.4422455     11.19838 
1 1 1 -14 0   9  o 190.274 4.7525  4399.66    219.413  4553.10    310.475  4246.57    310.117  193.411 6.6158  186.766 6.8433  6.645203       9.518341 
1 1 1 -14 0   10 o 69.311  3.6525  585.041    61.211   639.421    87.101   531.980    86.039   72.358  4.9915  65.923  5.4271  6.435608       7.373553 
1 1 1 -14 0   11 o 40.776  4.4776  204.462    43.572   192.415    61.889   216.301    61.354   39.204  6.7496  41.702  6.2565  -2.497707      9.203288 
1 1 1 -14 0   12 o 139.480 4.0871  2363.52    138.323  2445.13    195.873  2282.33    195.363  141.775 5.6939  136.962 5.8787  4.813248       8.184074 
1 1 1 -14 0   13 o 163.287 4.4136  3240.25    174.869  3390.61    247.605  3090.61    247.000  166.903 6.1141  159.324 6.3893  7.578644       8.843352 
1 1 1 -14 0   14 o 143.686 4.1349  2508.71    144.160  2607.24    204.225  2410.85    203.523  146.373 5.7502  140.736 5.9600  5.636841       8.281691 
1 1 1 -14 0   15 o 19.851  6.3432  46.865     34.505   60.694     47.674   31.653     50.002   22.791  7.4704  19.622  7.5127  3.168970       10.59469 
1 1 1 -14 0   16 o 42.222  4.5503  219.252    45.881   232.743    64.955   205.818    64.816   43.249  6.3814  40.543  6.8317  2.706585       9.348519 
1 1 1 -14 0   17 o 140.394 4.1642  2395.86    141.854  2577.67    201.463  2217.09    199.772  145.501 5.7064  134.907 6.1029  10.59456       8.355158 
1 1 1 -14 0   18 o 238.662 5.5405  6934.84    320.845  7026.24    454.361  6843.94    453.127  239.813 7.8084  236.664 7.8909  3.149002       11.10124 
1 1 1 -14 0   19 o 12.495  5.8379  -43.0482   43.823   -149.6865  54.790   146.322    73.013   10.450  5.2221  33.944  8.7939  -23.49417      10.22759 
1 1 1 -14 0   20 o 203.461 6.9761  5051.46    344.398  5238.12    467.409  4829.75    509.400  206.717 9.3187  197.912 10.647  8.805634       14.14901 
1 1 1 -14 0   21 o 123.803 5.4953  1866.14    165.079  1921.09    217.087  1790.80    254.194  125.255 7.1727  120.643 8.7429  4.611992       11.30866 
1 1 1 -14 0   22 o 191.944 4.6978  4481.32    218.791  4516.55    310.292  4446.49    308.550  192.449 6.6449  190.948 6.6596  1.500717       9.407699 
1 1 1 -14 0   23 o 79.072  3.8136  759.837    73.168   774.597    103.626  745.162    103.324  79.587  5.3980  78.043  5.4914  1.544510       7.700253 
1 1 1 -14 0   24 o 30.451  5.8608  116.742    41.731   95.978     58.952   137.595    59.081   27.800  8.1873  32.917  7.5568  -5.116997      11.14169 
1 1 1 -14 0   25 o 89.417  3.8741  971.737    84.054   1082.36    120.792  867.890    117.036  94.148  5.3093  84.219  5.7619  9.928719       7.835069 
1 1 1 -14 0   26 o 149.967 5.2512  2737.64    191.080  2229.97    315.102  3032.90    240.307  134.470 9.7230  157.735 6.2788  -23.26498      11.57405 
1 1 1 -14 0   27 o 300.429 9.2142  11065.60   671.684  11636.74   984.659  10568.53   918.589  306.384 13.245  292.116 12.960  14.26810       18.53086 
1 1 1 -14 0   28 o 55.502  6.9580  381.835    91.644   385.024    170.151  380.532    108.769  54.675  13.014  55.145  8.3938  -0.4701843     15.48578 
1 1 1 -14 0   29 o 21.981  8.5751  36.037     66.045   133.414    144.053  10.121     74.315   35.761  12.930  20.948  8.7528  14.81365       15.61367 
1 1 1 -14 0   30 o 214.383 5.8058  5602.99    302.005  5717.19    376.436  5396.72    505.911  216.282 7.1731  209.421 9.9561  6.861481       12.27099 
1 1 1 -14 0   31 o 23.148  6.9095  66.221     41.765   42.176     59.437   89.672     58.698   21.785  8.2266  26.992  8.2219  -5.207657      11.63083 
1 1 1 -14 0   32 o 73.361  4.0331  656.735    71.516   613.887    102.432  697.486    99.893   70.659  6.0323  75.429  5.4958  -4.769707      8.160419 
1 1 1 -14 0   33 o 43.589  4.9598  234.575    51.523   213.677    72.294   256.145    73.448   41.115  7.5240  45.233  6.9114  -4.118633      10.21654 
1 1 1 -14 0   34 o 40.055  5.0481  198.820    47.973   232.546    68.370   166.111    67.329   43.053  6.7682  36.062  7.9122  6.991188       10.41207 
1 1 1 -14 0   35 o 106.773 4.0421  1389.12    104.721  1498.02    150.491  1286.87    145.816  110.516 5.6307  102.355 5.8962  8.161125       8.152928 
1 1 1 -14 0   36 o 66.752  4.0383  545.264    65.100   495.372    92.859   593.488    91.292   63.249  6.1275  69.414  5.4644  -6.165394      8.210158 
1 1 1 -14 0   37 o 194.904 4.9861  4649.31    235.802  4685.74    335.931  4613.92    331.071  194.790 7.1075  193.315 7.0582  1.474976       10.01672 
1 1 1 -14 0   38 o 239.771 5.5881  7062.76    325.105  7117.58    462.873  7009.39    456.724  239.157 7.9765  237.368 7.9299  1.789810       11.24760 
1 1 1 -14 0   39 o 99.918  3.9833  1219.92    96.572   1071.64    137.639  1363.69    135.531  93.003  6.1338  105.216 5.3261  -12.21371      8.123443 
1 1 1 -14 0   40 o 27.257  7.9373  94.962     55.685   77.541     66.039   137.825    103.586  25.704  8.7984  33.235  11.017  -7.530582      14.09942 
1 1 1 -14 0   41 o 66.840  5.4869  554.388    88.203   598.293    107.411  463.480    154.556  69.159  6.4763  59.020  11.202  10.13824       12.93954 
1 1 1 -14 0   42 o 34.451  5.5746  150.098    45.007   228.678    63.112   68.781     64.202   42.500  6.3119  24.590  8.6605  17.90957       10.71651 
1 1 1 -14 0   43 o 30.801  6.9537  122.903    50.738   97.125     82.212   138.763    64.483   28.473  9.8136  32.551  8.1753  -4.078333      12.77274 
1 1 1 -14 0   44 o 41.555  5.5716  217.169    54.763   221.994    83.553   213.535    72.510   41.117  8.6490  40.611  7.6390  0.5065765      11.53942 
1 1 1 -14 0   45 o 25.984  8.4276  84.144     60.736   -184.5564  170.680  123.102    64.990   23.149  11.026  30.631  8.4633  -7.481613      13.89957 
1 1 1 -14 0   46 o 70.015  6.5707  618.216    110.320  770.317    224.562  569.829    126.658  74.611  12.869  66.593  7.9986  8.017525       15.15227 
1 1 1 -14 0   47 o 102.096 6.3479  1309.71    156.475  1247.31    291.337  1335.01    185.502  94.674  13.028  102.379 7.5201  -7.705521      15.04224 
1 1 1 -14 0   48 o 16.102  6.6408  11.728     41.990   -15.5595   68.489   28.163     53.151   17.958  7.9491  19.238  7.6348  -1.280272      11.02175 
1 1 1 -14 0   49 o 56.350  4.7807  396.273    64.749   381.578    95.281   408.881    88.258   54.245  7.4347  56.574  6.5506  -2.329288      9.908830 
1 1 1 -14 0   50 o 68.640  4.6427  586.873    76.869   575.082    110.274  598.019    107.209  66.916  6.8902  68.435  6.5359  -1.518768      9.496943 
1 1 1 -14 0   51 o 31.172  6.9532  128.656    51.254   77.095     76.770   170.118    68.843   25.688  9.4156  35.510  8.1612  -9.821836      12.46026 
1 1 1 -14 0   52 o 77.098  5.1050  746.343    94.960   679.008    137.049  808.523    131.697  71.793  8.0036  79.164  6.9260  -7.370575      10.58423 
1 1 1 -14 0   53 o 55.808  5.5387  395.303    74.011   371.459    102.099  421.707    107.439  52.722  8.2518  56.325  8.0938  -3.603310      11.55865 
1 1 1 -14 0   54 o 16.238  7.5421  -51.9445   71.440   -51.9445   71.440   0.0000     0.0000   16.238  7.5421  ?       ?       0.000000       7.542146 
1 1 1 -14 0   55 o 20.596  8.2889  32.470     63.545   58.783     70.063   -89.5407   150.870  23.495  8.9175  23.308  10.870  0.1876545      14.06009 
1 1 1 -14 0   56 o 22.592  7.8114  62.451     52.107   103.063    67.807   3.8810     81.431   27.806  8.8928  20.494  8.8780  7.312653       12.56583 
1 1 1 -14 0   57 o 19.246  7.4962  33.794     50.409   -39.3584   65.182   142.658    79.516   15.931  7.3296  32.016  9.5288  -16.08476      12.02167 
1 1 1 -14 0   58 o 32.563  10.794  150.594    99.438   247.647    223.478  126.636    111.035  39.661  15.682  30.802  11.319  8.858776       19.33990 
1 1 1 -14 1   1  o 282.518 6.2552  9715.58    428.799  10692.58   605.857  8734.98    606.973  295.981 8.4361  267.334 9.3573  28.64774       12.59870 
1 1 1 -14 1   2  o 226.740 7.4598  6265.36    410.410  6158.41    602.650  6357.87    560.458  224.191 11.079  227.976 10.132  -3.785385      15.01297 
1 1 1 -14 1   3  o 66.436  6.4114  542.133    102.068  0.0000     0.0000   542.133    102.068  ?       ?       66.436  6.4114  0.000000       6.411376 
1 1 1 -14 1   4  o 182.309 8.7450  4055.45    386.838  0.0000     0.0000   4055.45    386.838  ?       ?       182.309 8.7450  0.000000       8.744963 
1 1 1 -14 1   5  o 300.887 12.736  11115.12   929.838  0.0000     0.0000   11115.12   929.838  ?       ?       300.887 12.736  0.000000       12.73620 
1 1 1 -14 1   6  o 125.537 3.8719  1914.06    117.940  2068.23    167.509  1762.49    166.085  130.433 5.2928  120.388 5.6857  10.04497       7.767931 
1 1 1 -14 1   7  o 127.830 3.8884  1984.63    120.606  2029.73    170.596  1939.58    170.529  129.206 5.4415  126.298 5.5646  2.908089       7.783041 
1 1 1 -14 1   8  o 302.802 6.6360  11160.02   487.563  11601.87   689.269  10717.52   689.769  308.275 9.2148  296.215 9.5969  12.06015       13.30467 
1 1 1 -14 1   9  o 180.508 4.5576  3959.17    199.618  4034.23    281.991  3883.77    282.614  182.074 6.3830  178.635 6.5203  3.439468       9.124491 
1 1 1 -14 1   10 o 72.400  3.6699  638.229    64.259   626.509    90.466   650.164    91.292   71.594  5.2442  72.946  5.1918  -1.351601      7.379399 
1 1 1 -14 1   11 o 215.099 5.0995  5625.05    266.149  5760.10    376.559  5490.25    376.226  217.446 7.1370  212.270 7.3046  5.175400       10.21246 
1 1 1 -14 1   12 o 275.127 6.1248  9212.73    408.873  9001.94    578.033  9423.81    578.434  271.506 8.7742  277.835 8.5803  -6.328857      12.27230 
1 1 1 -14 1   13 o 119.118 3.8822  1723.76    112.207  1717.40    158.811  1730.10    158.558  118.816 5.5086  119.256 5.4795  -0.4402161     7.769809 
1 1 1 -14 1   14 o 181.615 4.5903  4009.69    202.281  4126.99    286.182  3892.58    285.956  184.076 6.4074  178.751 6.5930  5.324799       9.193626 
1 1 1 -14 1   15 o 323.503 6.8372  12756.98   536.686  12736.41   759.152  12777.53   758.825  322.470 9.7023  322.996 9.6823  -0.5264893     13.70703 
1 1 1 -14 1   16 o 388.848 8.0464  18471.96   759.183  18456.83   1074.01  18487.07   1073.29  387.326 11.428  387.651 11.411  -0.3252258     16.14930 
1 1 1 -14 1   17 o 180.993 4.6076  3983.85    202.350  3972.11    286.276  3995.57    286.054  180.507 6.5362  181.042 6.5118  -0.5353851     9.226401 
1 1 1 -14 1   18 o 351.860 10.521  15215.53   898.247  15431.94   1246.73  14981.94   1295.28  352.274 14.586  346.614 15.401  5.659760       21.21181 
1 1 1 -14 1   19 o 144.442 5.7475  2541.17    201.434  2380.92    266.045  2756.45    308.357  139.351 7.9008  149.848 8.5160  -10.49707      11.61656 
1 1 1 -14 1   20 o 244.988 7.8359  7334.69    465.800  7226.99    636.462  7458.91    683.536  242.387 10.822  246.044 11.449  -3.656952      15.75437 
1 1 1 -14 1   21 o 69.694  5.2465  594.513    88.071   531.388    111.262  700.434    144.123  65.611  7.1023  75.283  8.0130  -9.672966      10.70753 
1 1 1 -14 1   22 o 112.783 3.8799  1545.93    106.177  1365.81    150.351  1725.12    149.964  105.727 5.8841  119.058 5.1911  -13.33122      7.846699 
1 1 1 -14 1   23 o 194.256 4.8427  4590.64    228.257  4618.52    323.841  4563.12    321.776  194.576 6.8593  193.406 6.8568  1.170166       9.698698 
1 1 1 -14 1   24 o 95.781  3.8231  1114.91    88.849   1146.18    126.527  1084.50    124.795  96.882  5.4040  94.222  5.4823  2.660004       7.697940 
1 1 1 -14 1   25 o ?       ?       -158.7512  28.820   -276.5251  44.084   -70.8394   38.087   ?       ?       9.9281  4.8439  0.000000       4.843852 
1 1 1 -14 1   26 o 304.253 6.6814  11292.13   493.249  11898.74   699.602  10692.55   695.533  311.540 9.2549  295.172 9.7113  16.36749       13.41504 
1 1 1 -14 1   27 f 186.005 6.7924  4221.92    306.558  4404.61    469.577  4086.22    404.698  189.013 10.277  182.332 9.1769  6.680573       13.77832 
1 1 1 -14 1   28 o 147.281 6.2322  2645.11    222.715  2509.04    353.900  2734.33    286.581  142.458 10.308  149.302 7.9393  -6.843491      13.01101 
1 1 1 -14 1   29 o 233.813 8.7959  6703.96    499.016  3372.01    742.646  9446.74    673.797  161.598 19.323  277.111 10.021  -115.5130      21.76721 
1 1 1 -14 1   30 o 13.577  5.7601  0.5540     32.970   47.455     46.586   -46.5123   46.668   21.000  7.3788  12.847  6.0097  8.152964       9.516475 
1 1 1 -14 1   31 o 143.307 4.3291  2499.24    150.533  2517.72    215.271  2481.56    210.579  143.608 6.1779  142.586 6.0866  1.021759       8.672566 
1 1 1 -14 1   32 f 60.004  4.2535  440.452    61.527   439.340    89.949   441.430    84.345   59.633  6.3125  59.847  5.8845  -0.2142296     8.629869 
1 1 1 -14 1   33 o 176.750 4.5888  3807.05    196.799  4180.14    281.148  3448.63    275.567  184.852 6.2682  167.785 6.7688  17.06670       9.225353 
1 1 1 -14 1   34 o 59.294  4.1737  430.471    59.665   339.872    85.969   514.669    82.875   52.173  6.9649  64.691  5.3271  -12.51852      8.768609 
1 1 1 -14 1   35 o 87.051  3.9153  923.394    82.699   944.660    118.706  903.339    115.279  87.671  5.6096  85.732  5.5719  1.939430       7.906602 
1 1 1 -14 1   36 o 29.903  6.1921  113.818    43.449   168.303    60.976   57.618     61.928   36.329  7.1719  23.460  8.4782  12.86914       11.10475 
1 1 1 -14 1   37 o 73.176  4.0128  655.535    70.977   668.597    101.868  643.210    98.947   73.558  5.7533  72.152  5.6982  1.405930       8.097524 
1 1 1 -14 1   38 o 76.593  3.9946  718.517    73.981   708.828    105.917  727.747    103.380  75.676  5.8126  76.741  5.5904  -1.064865      8.064682 
1 1 1 -14 1   39 o 42.104  6.4911  224.180    64.182   209.517    76.308   259.636    118.660  40.264  8.0914  44.149  11.091  -3.884739      13.72905 
1 1 1 -14 1   40 o 122.169 5.7849  1842.53    171.484  2030.92    218.991  1543.89    275.724  127.523 7.1056  109.259 10.531  18.26450       12.70392 
1 1 1 -14 1   41 o 76.937  5.5341  734.078    102.620  820.559    126.813  569.999    174.675  81.039  6.5040  65.430  11.418  15.60890       13.14028 
1 1 1 -14 1   42 o 53.613  5.0379  356.921    64.768   437.879    99.133   296.626    85.551   58.823  7.0883  48.112  7.5792  10.71119       10.37734 
1 1 1 -14 1   43 o 73.398  4.3353  663.404    76.866   742.254    112.568  594.520    105.214  77.125  6.0642  68.874  6.3679  8.250969       8.793455 
1 1 1 -14 1   44 o 121.013 4.2727  1797.83    125.457  1691.02    179.394  1900.08    175.517  116.365 6.3779  123.773 5.8442  -7.408798      8.650599 
1 1 1 -14 1   45 o 43.096  7.8890  241.556    79.454   420.336    187.650  202.503    87.703   54.196  14.126  38.942  9.3909  15.25399       16.96267 
1 1 1 -14 1   46 o 26.653  8.6066  89.731     63.396   -56.9627   173.862  112.226    68.084   27.035  12.259  29.321  8.8379  -2.285824      15.11269 
1 1 1 -14 1   47 o 62.517  4.6788  485.403    70.459   622.420    103.463  366.898    96.220   70.288  6.1278  53.234  7.6707  17.05391       9.817809 
1 1 1 -14 1   48 o 43.432  5.5283  238.686    56.938   303.103    86.298   189.027    75.770   48.218  7.6302  37.576  8.5082  10.64164       11.42843 
1 1 1 -14 1   49 o 17.546  7.1636  17.681     48.249   106.648    69.991   -62.8790   66.602   28.485  9.0270  15.135  7.1113  13.35006       11.49160 
1 1 1 -14 1   50 o 23.661  8.0711  69.063     55.570   139.095    72.996   -27.4625   85.699   31.966  9.0190  19.359  8.7080  12.60707       12.53680 
1 1 1 -14 1   51 o 50.234  6.1098  323.419    72.937   353.647    99.071   287.648    107.775  51.529  8.1985  45.389  10.051  6.139019       12.97068 
1 1 1 -14 1   52 o 18.453  7.5286  21.492     53.248   -40.0888   68.993   112.208    83.739   16.480  7.5669  29.148  9.9079  -12.66812      12.46693 
1 1 1 -14 1   53 o 23.018  9.1084  48.269     75.447   48.269     75.447   0.0000     0.0000   23.018  9.1084  ?       ?       0.000000       9.108406 
1 1 1 -14 1   54 o 29.778  10.021  118.418    85.645   118.418    85.645   0.0000     0.0000   29.778  10.021  ?       ?       0.000000       10.02056 
1 1 1 -14 1   55 o 14.544  6.6266  -27.2968   51.583   -4.3934    68.388   -57.5246   78.566   18.440  8.0600  16.953  7.8857  1.486786       11.27597 
1 1 1 -14 1   56 o 17.760  7.4203  13.605     53.404   96.815     69.914   -102.9533  82.746   27.153  9.0536  15.707  7.5338  11.44638       11.77822 
1 1 1 -14 1   57 o 19.991  8.8988  -13.9873   87.009   113.426    203.480  -42.4973   96.253   33.578  14.280  19.640  8.9883  13.93789       16.87336 
1 1 1 -14 2   1  o 241.854 7.6790  7131.63    450.634  7691.62    659.322  6640.69    617.333  250.555 10.845  232.792 10.929  17.76314       15.39680 
1 1 1 -14 2   2  o 64.129  6.4863  505.691    99.541   0.0000     0.0000   505.691    99.541   ?       ?       64.129  6.4863  0.000000       6.486295 
1 1 1 -14 2   3  o 113.903 6.9866  1585.83    192.160  0.0000     0.0000   1585.83    192.160  ?       ?       113.903 6.9866  0.000000       6.986622 
1 1 1 -14 2   4  o 35.812  7.6154  162.196    64.137   0.0000     0.0000   162.196    64.137   ?       ?       35.812  7.6154  0.000000       7.615441 
1 1 1 -14 2   5  o 136.705 4.7408  2271.07    157.255  2201.92    290.246  2299.81    187.095  134.023 8.9772  137.522 5.6070  -3.498611      10.58431 
1 1 1 -14 2   6  o 15.768  6.0336  20.337     32.239   11.460     49.678   26.796     42.373   17.604  7.2373  18.078  6.9172  -0.4740009     10.01128 
1 1 1 -14 2   7  o 134.376 4.0027  2193.31    130.510  2219.65    184.386  2166.85    184.754  135.103 5.6247  133.482 5.7044  1.620987       8.011065 
1 1 1 -14 2   8  o 31.661  5.1378  124.974    38.117   152.908    54.906   98.989     52.957   34.855  6.7358  28.044  7.5951  6.811510       10.15170 
1 1 1 -14 2   9  o 114.673 3.8188  1597.15    106.255  1660.27    150.107  1533.77    150.429  116.855 5.2940  112.305 5.5204  4.550629       7.648621 
1 1 1 -14 2   10 o 62.012  3.7550  468.769    56.234   509.473    79.632   428.280    79.422   64.532  5.1279  59.076  5.6079  5.455727       7.598948 
1 1 1 -14 2   11 o 230.798 5.3282  6477.94    298.384  6480.46    421.978  6475.43    421.978  230.566 7.5428  230.476 7.5457  0.8996582E-01  10.66916 
1 1 1 -14 2   12 o 75.072  3.6843  684.560    67.112   691.505    95.434   677.764    94.396   75.222  5.2619  74.468  5.2580  0.7544556      7.438686 
1 1 1 -14 2   13 o 99.600  3.7313  1205.09    90.173   1216.26    127.831  1194.02    127.220  99.855  5.2949  98.933  5.3192  0.9221497      7.505344 
1 1 1 -14 2   14 o 153.652 4.1729  2869.23    155.575  2870.98    220.080  2867.49    219.954  153.565 5.9064  153.472 5.9066  0.9358215E-01  8.353073 
1 1 1 -14 2   15 o 167.331 4.3448  3403.71    176.403  3350.01    249.468  3457.41    249.476  165.835 6.1998  168.482 6.1025  -2.647903      8.699310 
1 1 1 -14 2   16 o 136.792 4.0550  2274.32    134.592  2293.96    190.433  2254.73    190.252  137.257 5.7180  136.075 5.7622  1.182495       8.117773 
1 1 1 -14 2   17 o 209.774 4.9727  5354.08    253.108  5406.29    357.836  5301.81    358.061  210.497 7.0061  208.441 7.0796  2.056458       9.960221 
1 1 1 -14 2   18 o 214.171 7.1761  5599.05    372.916  5567.49    504.944  5636.92    553.106  213.012 9.7696  214.110 10.646  -1.098099      14.44965 
1 1 1 -14 2   19 o 223.667 7.5499  6110.74    409.739  6620.18    557.636  5512.94    604.063  232.240 9.8958  211.089 11.842  21.15105       15.43211 
1 1 1 -14 2   20 o 108.774 5.3162  1440.24    140.310  1411.88    181.899  1481.90    220.476  107.340 7.0227  109.760 8.3409  -2.420830      10.90366 
1 1 1 -14 2   21 o 99.096  3.7986  1193.40    91.338   1213.71    129.217  1173.11    129.124  99.710  5.3606  98.012  5.4511  1.697449       7.645301 
1 1 1 -14 2   22 o 166.428 4.4916  3368.33    181.380  3375.37    256.917  3361.34    256.106  166.404 6.3630  166.059 6.3561  0.3452759      8.993806 
1 1 1 -14 2   23 f 210.783 5.0860  5406.61    260.121  5252.85    368.293  5559.66    367.441  207.427 7.3175  213.439 7.0950  -6.011810      10.19239 
1 1 1 -14 2   24 o 153.196 4.2765  2853.48    158.966  2781.17    225.900  2924.41    223.739  151.066 6.1629  154.931 5.9517  -3.864838      8.567634 
1 1 1 -14 2   25 o 234.354 5.3666  6686.50    305.165  7355.46    433.276  6027.98    429.880  245.439 7.2754  222.046 7.9788  23.39296       10.79782 
1 1 1 -14 2   26 o 85.113  5.7150  886.388    117.342  1151.19    207.791  762.406    142.183  96.522  8.9751  78.640  7.5440  17.88191       11.72449 
1 1 1 -14 2   27 o 201.619 7.1067  4963.97    347.666  5093.87    528.151  4864.64    461.842  203.119 10.755  199.068 9.5615  4.050980       14.39040 
1 1 1 -14 2   28 o 152.572 6.2835  2839.31    232.618  2856.75    368.064  2827.71    300.167  152.096 10.030  151.764 8.1816  0.3314819      12.94344 
1 1 1 -14 2   29 o 131.475 4.0795  2102.17    130.140  2486.65    186.411  1736.61    181.767  142.866 5.3775  119.134 6.3105  23.73244       8.290968 
1 1 1 -14 2   30 o 152.378 4.3785  2825.46    161.886  2930.42    231.021  2724.20    226.918  154.956 6.1444  149.387 6.2602  5.568542       8.771778 
1 1 1 -14 2   31 o 109.015 4.0251  1445.88    106.471  1482.92    153.019  1411.12    148.240  110.093 5.7482  107.394 5.7093  2.699280       8.101730 
1 1 1 -14 2   32 o 60.579  4.1977  448.902    61.321   393.168    88.782   499.747    84.799   56.305  6.6253  63.751  5.5369  -7.446442      8.634344 
1 1 1 -14 2   33 f 89.514  3.9832  975.668    86.513   915.052    123.811  1033.50    120.936  86.295  5.9494  91.824  5.4524  -5.528847      8.069932 
1 1 1 -14 2   34 o 60.025  4.1952  441.290    60.716   496.276    87.565   390.375    84.261   63.423  5.7527  56.085  6.3008  7.337704       8.531903 
1 1 1 -14 2   35 o 53.835  4.3452  355.934    56.276   418.607    81.174   297.936    78.088   58.151  5.8316  48.761  6.7839  9.390400       8.945869 
1 1 1 -14 2   36 o 58.573  4.2224  421.022    59.608   395.006    87.627   443.428    81.323   56.270  6.5400  59.855  5.6670  -3.585091      8.653672 
1 1 1 -14 2   37 o 115.356 4.0774  1625.37    114.127  1731.87    163.371  1523.85    159.498  118.702 5.6722  111.125 5.9368  7.576172       8.210974 
1 1 1 -14 2   38 o 77.055  3.9900  727.489    74.345   680.799    106.514  771.846    103.817  74.078  5.9767  79.048  5.4460  -4.969261      8.085761 
1 1 1 -14 2   39 o 53.267  5.9290  354.420    75.331   442.074    90.626   158.445    135.508  59.435  6.3842  36.052  12.589  23.38323       14.11558 
1 1 1 -14 2   40 o 73.566  5.5288  671.121    97.967   765.714    119.980  481.886    169.700  78.339  6.3671  59.783  12.114  18.55605       13.68519 
1 1 1 -14 2   41 o 44.652  4.7582  247.723    50.757   302.661    72.373   194.547    71.204   49.034  6.2232  38.715  7.8485  10.31834       10.01633 
1 1 1 -14 2   42 o 27.860  7.3150  100.726    50.080   86.058     82.629   109.243    62.963   27.472  9.8089  29.046  8.4347  -1.573990      12.93677 
1 1 1 -14 2   43 o 94.579  4.2137  1097.51    96.698   1073.71    140.072  1119.19    133.658  92.729  6.2622  94.856  5.8355  -2.127350      8.559631 
1 1 1 -14 2   44 o 125.243 5.3271  1939.66    161.887  2007.92    334.432  1918.78    185.008  123.016 11.332  124.183 6.1400  -1.166565      12.88816 
1 1 1 -14 2   45 o 53.098  8.3136  366.523    103.596  424.192    200.551  345.535    120.988  53.920  14.855  50.727  10.183  3.192421       18.01001 
1 1 1 -14 2   46 o 48.750  8.8894  314.368    101.276  329.992    198.371  308.859    117.783  47.392  15.216  47.614  10.479  -0.2227631     18.47538 
1 1 1 -14 2   47 o 53.337  5.3282  357.001    68.034   381.154    95.114   331.697    97.354   54.326  7.4088  50.251  8.2723  4.074738       11.10503 
1 1 1 -14 2   48 o 45.115  6.1612  260.103    65.683   277.895    91.902   241.525    93.910   45.643  8.6140  42.139  9.4212  3.504177       12.76555 
1 1 1 -14 2   49 o 46.625  6.0245  277.712    66.562   300.938    93.216   253.549    95.078   47.524  8.3906  43.087  9.3618  4.436501       12.57163 
1 1 1 -14 2   50 o 22.649  8.0362  60.534     55.379   74.100     72.938   42.067     85.097   25.171  9.1850  23.476  9.5409  1.695793       13.24356 
1 1 1 -14 2   51 o 28.158  8.3695  106.566    61.375   15.698     83.034   216.004    91.125   21.431  9.1183  39.370  9.6207  -17.93926      13.25527 
1 1 1 -14 2   52 o 25.505  9.2973  77.560     74.706   77.560     74.706   0.0000     0.0000   25.505  9.2973  ?       ?       0.000000       9.297329 
1 1 1 -14 2   53 o 57.653  8.3473  443.981    113.372  443.981    113.372  0.0000     0.0000   57.653  8.3473  ?       ?       0.000000       8.347309 
1 1 1 -14 2   54 o 69.702  6.3672  622.546    106.496  668.655    123.392  487.912    210.848  71.748  7.1844  54.978  15.264  16.77008       16.87030 
1 1 1 -14 2   55 o 53.483  5.4739  363.151    70.035   376.275    92.964   345.927    106.498  53.538  7.3503  50.355  9.0491  3.183556       11.65815 
1 1 1 -14 2   56 o 10.140  5.0361  -111.6526  47.746   -106.2387  61.817   -119.6580  75.170   12.615  6.1584  14.121  6.8709  -1.506090      9.226839 
1 1 1 -14 2   57 o 30.298  10.715  124.707    98.381   -37.0070   239.157  157.647    107.937  29.998  13.886  33.189  11.249  -3.190821      17.87071 
1 1 1 -14 3   1  o 156.101 5.9293  2965.04    224.583  3441.95    340.871  2599.23    298.538  167.942 8.3650  145.687 8.4820  22.25468       11.91291 
1 1 1 -14 3   2  o 228.008 10.252  6360.85    567.195  0.0000     0.0000   6360.85    567.195  ?       ?       228.008 10.252  0.000000       10.25221 
1 1 1 -14 3   3  o 210.592 9.6674  5419.91    493.985  0.0000     0.0000   5419.91    493.985  ?       ?       210.592 9.6674  0.000000       9.667352 
1 1 1 -14 3   4  o 205.604 6.9688  5147.72    347.661  0.0000     0.0000   5147.72    347.661  ?       ?       205.604 6.9688  0.000000       6.968830 
1 1 1 -14 3   5  o 59.562  3.9035  432.737    56.102   460.593    83.166   409.475    75.999   61.282  5.6569  57.771  5.4875  3.511024       7.881177 
1 1 1 -14 3   6  o 65.360  3.6927  520.468    58.323   569.510    82.451   471.357    82.510   68.267  5.0127  62.014  5.5418  6.252747       7.472548 
1 1 1 -14 3   7  o 207.822 4.9571  5249.72    249.969  5427.96    353.240  5070.94    353.780  211.134 6.8952  204.045 7.1457  7.089157       9.929969 
1 1 1 -14 3   8  o 211.574 5.0228  5441.48    257.854  5358.88    362.935  5525.67    366.412  209.751 7.1312  212.995 7.0898  -3.243912      10.05583 
1 1 1 -14 3   9  o 228.135 5.2945  6328.57    293.076  6263.78    413.066  6394.26    415.892  226.704 7.5092  229.057 7.4829  -2.352661      10.60109 
1 1 1 -14 3   10 o 146.096 4.1448  2593.24    146.929  2575.29    207.240  2611.39    208.342  145.484 5.8708  146.501 5.8610  -1.016754      8.295636 
1 1 1 -14 3   11 o 137.221 4.0036  2287.66    133.301  2299.07    188.420  2276.22    188.611  137.466 5.6489  136.779 5.6831  0.6869965      8.012980 
1 1 1 -14 3   12 o 203.184 4.8841  5019.71    240.788  4957.03    340.461  5082.44    340.591  201.681 6.9573  204.227 6.8732  -2.546188      9.779778 
1 1 1 -14 3   13 o 145.629 4.6285  2578.40    163.551  2697.16    205.152  2371.30    270.917  148.865 5.6796  139.131 8.0596  9.734604       9.859754 
1 1 1 -14 3   14 o 338.307 7.1488  13959.51   586.821  14004.56   829.858  13914.46   829.921  337.952 10.120  336.851 10.154  1.100830       14.33594 
1 1 1 -14 3   15 o 311.669 6.6652  11842.60   504.047  11796.27   712.786  11888.95   712.875  310.288 9.4674  311.516 9.4312  -1.228180      13.36336 
1 1 1 -14 3   16 o 185.725 4.7022  4195.47    211.902  4432.15    299.773  3959.10    299.576  190.674 6.4795  180.160 6.8531  10.51410       9.431225 
1 1 1 -14 3   17 o 114.902 5.5386  1607.57    154.416  1774.32    200.260  1363.04    242.511  120.402 6.8834  104.992 9.6266  15.40999       11.83440 
1 1 1 -14 3   18 f 83.271  5.3147  847.493    106.822  870.565    136.602  811.174    171.387  84.214  6.7416  80.916  8.8750  3.298592       11.14517 
1 1 1 -14 3   19 o 294.777 9.2383  10649.02   660.768  11269.59   909.057  9953.88    962.135  302.027 12.405  283.151 14.004  18.87592       18.70792 
1 1 1 -14 3   20 o 326.361 6.9819  12996.38   552.888  13256.64   782.047  12736.32   781.757  328.700 9.8055  322.111 10.002  6.588531       14.00695 
1 1 1 -14 3   21 o 133.417 3.9823  2163.55    128.919  2202.26    182.712  2125.17    181.927  134.483 5.5993  132.102 5.6758  2.381500       7.972874 
1 1 1 -14 3   22 o 97.720  3.7900  1160.47    89.864   1159.06    127.081  1161.90    127.092  97.428  5.3968  97.548  5.3905  -0.1204300     7.627709 
1 1 1 -14 3   23 o 157.457 4.3866  3014.77    167.592  2951.48    236.659  3078.44    237.366  155.611 6.2679  158.936 6.1551  -3.324783      8.784702 
1 1 1 -14 3   24 o 185.580 4.7572  4189.69    214.215  3910.04    303.668  4466.71    302.229  178.995 6.9919  191.389 6.5081  -12.39320      9.552050 
1 1 1 -14 3   25 o 127.622 4.1167  1980.14    127.480  1963.43    181.274  1996.49    179.311  126.944 5.8852  128.018 5.7726  -1.074570      8.243679 
1 1 1 -14 3   26 o 141.370 6.1349  2436.33    210.439  2386.02    333.197  2469.71    271.424  139.021 9.9433  141.894 7.9151  -2.873138      12.70898 
1 1 1 -14 3   27 o 204.382 7.2880  5103.75    361.422  4781.58    547.909  5351.92    480.880  196.463 11.545  208.780 9.4926  -12.31657      14.94606 
1 1 1 -14 3   28 o 104.167 5.8054  1326.75    146.150  1362.68    250.314  1308.17    180.020  104.794 9.9642  103.211 7.2341  1.583801       12.31331 
1 1 1 -14 3   29 o 113.557 4.0845  1568.44    112.542  1538.32    161.101  1597.15    157.284  112.148 5.9415  114.458 5.6634  -2.309578      8.208221 
1 1 1 -14 3   30 o 257.152 5.8402  8068.44    364.401  8265.18    517.664  7875.20    513.048  259.545 8.2200  253.303 8.3474  6.241516       11.71529 
1 1 1 -14 3   31 o 132.833 4.1699  2147.68    134.400  2209.63    191.932  2088.07    188.261  134.519 5.8803  130.758 5.9337  3.760147       8.353853 
1 1 1 -14 3   32 o 79.892  3.9748  777.026    77.051   757.825    112.089  794.228    106.092  78.517  5.9272  80.467  5.4662  -1.950439      8.062950 
1 1 1 -14 3   33 o 143.874 4.2422  2522.72    148.093  2480.63    211.432  2563.25    207.494  142.319 6.1227  144.717 5.9091  -2.397232      8.509137 
1 1 1 -14 3   34 o 103.985 4.0230  1318.07    101.506  1425.29    146.255  1218.43    140.990  107.748 5.6136  99.545  5.8631  8.202866       8.117162 
1 1 1 -14 3   35 f 81.774  3.9510  815.561    78.394   870.306    112.791  764.399    109.037  84.079  5.5601  78.734  5.7472  5.345207       7.996556 
1 1 1 -14 3   36 o 78.846  3.9380  758.756    75.339   728.742    108.950  786.259    104.294  76.771  5.8938  79.874  5.4133  -3.102654      8.002514 
1 1 1 -14 3   37 o 71.794  4.0716  631.847    70.635   579.706    100.490  682.768    99.307   68.305  6.1284  74.322  5.5468  -6.016289      8.265873 
1 1 1 -14 3   38 o 39.274  6.7382  196.288    61.899   204.648    74.960   178.369    109.747  39.786  8.0415  36.971  11.238  2.815002       13.81882 
1 1 1 -14 3   39 o 54.271  5.9782  368.242    77.417   335.393    93.757   438.631    137.243  51.236  7.7868  57.849  10.148  -6.613083      12.79096 
1 1 1 -14 3   40 o 103.190 5.5721  1318.31    138.997  1359.94    174.176  1245.31    230.655  104.249 6.9252  98.250  9.8063  5.998398       12.00506 
1 1 1 -14 3   41 o 23.651  8.1321  65.369     56.436   91.133     76.527   34.650     83.562   27.599  9.4707  23.359  9.4684  4.240065       13.39198 
1 1 1 -14 3   42 o 32.556  7.5172  138.125    58.180   151.594    80.857   123.666    83.779   33.885  9.4684  31.072  9.8793  2.812578       13.68395 
1 1 1 -14 3   43 o 71.714  4.6744  635.504    80.893   639.899    113.205  630.917    115.635  71.322  6.6169  70.737  6.8217  0.5845490      9.503616 
1 1 1 -14 3   44 o 26.700  9.7946  78.478     83.099   62.735     157.378  84.564     97.852   30.898  12.809  28.185  10.574  2.712952       16.60976 
1 1 1 -14 3   45 o 54.569  8.2878  387.504    106.286  279.889    205.378  426.868    124.213  44.476  15.501  56.841  9.3299  -12.36514      18.09189 
1 1 1 -14 3   46 o 32.729  7.5729  141.288    58.947   133.863    80.612   149.822    86.417   31.721  9.6291  33.386  9.9330  -1.665398      13.83416 
1 1 1 -14 3   47 o 41.819  6.5538  225.239    64.317   260.052    90.550   189.791    91.372   44.100  8.7710  37.208  9.9343  6.892410       13.25217 
1 1 1 -14 3   48 o 80.368  4.5963  802.818    89.258   726.517    124.349  883.917    128.199  75.331  6.8790  83.439  6.3806  -8.107521      9.382534 
1 1 1 -14 3   49 o 30.122  8.0301  122.000    59.760   76.101     83.916   169.229    85.124   26.071  9.7898  34.981  9.6939  -8.910152      13.77720 
1 1 1 -14 3   50 o 20.220  8.0074  34.247     58.350   94.453     76.453   -49.7517   90.305   27.245  9.4595  18.787  8.6377  8.457695       12.80980 
1 1 1 -14 3   51 o 38.351  9.1023  203.128    83.431   203.128    83.431   0.0000     0.0000   38.351  9.1023  ?       ?       0.000000       9.102278 
1 1 1 -14 3   52 o 16.273  7.5438  -49.6895   70.967   -49.6895   70.967   0.0000     0.0000   16.273  7.5438  ?       ?       0.000000       7.543787 
1 1 1 -14 3   53 o 42.625  8.4056  245.812    83.846   283.719    92.574   72.724     197.815  45.737  8.6588  32.173  13.887  13.56409       16.36569 
1 1 1 -14 3   54 o 35.454  7.3475  167.589    61.130   138.637    79.987   208.245    94.786   31.702  9.5847  38.419  10.052  -6.717529      13.88918 
1 1 1 -14 3   55 o 69.578  4.8694  607.720    81.688   601.603    111.599  614.780    119.896  68.136  6.8428  68.576  7.3186  -0.4406509     10.01926 
1 1 1 -14 3   56 o 32.839  11.023  152.523    103.638  242.012    226.380  128.794    116.572  39.640  15.749  31.214  11.574  8.426785       19.54436 
1 1 1 -14 4   1  o 274.092 11.833  9223.11    786.965  0.0000     0.0000   9223.11    786.965  ?       ?       274.092 11.833  0.000000       11.83301 
1 1 1 -14 4   2  o 273.151 8.5359  9106.29    565.739  0.0000     0.0000   9106.29    565.739  ?       ?       273.151 8.5359  0.000000       8.535911 
1 1 1 -14 4   3  o 105.761 5.2311  1360.01    134.240  0.0000     0.0000   1360.01    134.240  ?       ?       105.761 5.2311  0.000000       5.231068 
1 1 1 -14 4   4  o 57.290  3.8304  400.426    52.938   442.117    76.739   362.572    73.123   60.066  5.3204  54.310  5.6308  5.755978       7.746756 
1 1 1 -14 4   5  o 128.595 3.9648  2008.71    123.712  2045.28    174.349  1971.62    175.568  129.684 5.5408  127.319 5.6832  2.364838       7.937161 
1 1 1 -14 4   6  o 60.331  3.7491  443.787    54.611   462.733    77.343   424.950    77.119   61.470  5.2354  58.863  5.4617  2.607224       7.565706 
1 1 1 -14 4   7  o 110.753 3.8206  1489.88    102.671  1379.37    142.701  1608.47    147.832  106.353 5.5491  115.014 5.2973  -8.660950      7.671599 
1 1 1 -14 4   8  o 277.832 6.0800  9393.41    409.871  8938.64    578.142  9852.93    581.159  270.571 8.8062  284.147 8.4292  -13.57672      12.19022 
1 1 1 -14 4   9  o 282.809 6.1016  9734.19    418.701  9573.73    590.610  9896.32    593.667  280.011 8.6928  284.711 8.5936  -4.699158      12.22355 
1 1 1 -14 4   10 o 76.845  3.7708  717.327    70.309   741.156    96.211   690.015    103.001  77.903  5.1183  75.093  5.6954  2.809532       7.657337 
1 1 1 -14 4   11 f 13.450  5.7803  -2.9157    33.975   -11.5137   47.178   6.3478     48.969   15.249  6.6792  17.025  7.1087  -1.775373      9.754235 
1 1 1 -14 4   12 o 127.518 3.9484  1975.81    122.168  1991.92    171.332  1959.14    174.247  127.943 5.5190  126.876 5.6601  1.067162       7.905398 
1 1 1 -14 4   13 o 216.446 5.1567  5699.48    270.822  5884.07    383.127  5515.13    382.875  219.637 7.1891  212.603 7.4221  7.034668       10.33292 
1 1 1 -14 4   14 o 205.160 4.9154  5120.02    244.689  4970.75    346.035  5269.30    346.050  201.863 7.0648  207.868 6.8610  -6.005981      9.848067 
1 1 1 -14 4   15 o 218.720 5.0891  5821.09    270.080  5881.67    381.969  5760.52    381.933  219.535 7.1707  217.249 7.2455  2.285980       10.19390 
1 1 1 -14 4   16 o 300.849 9.1866  11090.82   670.605  10929.79   923.143  11270.75   975.803  297.272 12.798  301.628 13.333  -4.355560      18.48144 
1 1 1 -14 4   17 o 283.072 8.6982  9810.16    597.439  9416.54    819.732  10256.14   872.550  276.115 12.235  288.057 12.484  -11.94199      17.48000 
1 1 1 -14 4   18 o 134.754 5.6857  2211.57    185.906  2129.96    243.908  2324.71    287.182  131.820 7.6588  137.546 8.6489  -5.725983      11.55253 
1 1 1 -14 4   19 o 27.148  7.9153  91.746     55.346   84.266     66.956   107.882    98.344   26.855  8.8556  31.089  10.732  -4.234056      13.91419 
1 1 1 -14 4   20 o 334.891 7.1565  13688.63   581.522  13598.35   822.586  13778.83   822.207  332.759 10.188  334.989 10.115  -2.229828      14.35681 
1 1 1 -14 4   21 o 109.575 3.8046  1459.16    101.153  1434.59    143.002  1483.76    143.104  108.416 5.4535  110.404 5.3420  -1.987633      7.633945 
1 1 1 -14 4   22 o 188.874 4.7415  4339.49    217.294  4355.51    307.357  4323.48    307.244  188.970 6.7033  188.271 6.7257  0.6994171      9.495708 
1 1 1 -14 4   23 o 169.255 4.5498  3484.20    186.853  3367.22    264.518  3600.71    263.983  166.166 6.5607  171.862 6.3304  -5.695328      9.116841 
1 1 1 -14 4   24 o 119.791 4.0630  1744.47    118.095  1822.75    165.806  1663.87    168.245  122.338 5.5857  116.704 5.9614  5.634865       8.169292 
1 1 1 -14 4   25 o 102.056 6.1975  1274.37    152.743  1027.15    242.876  1436.11    196.456  90.618  11.291  108.154 7.5332  -17.53593      13.57332 
1 1 1 -14 4   26 o 82.298  6.4901  831.308    128.547  670.980    207.306  931.467    163.851  72.734  12.177  86.924  7.8535  -14.19008      14.48992 
1 1 1 -14 4   27 o 163.902 6.6483  3279.15    264.399  2971.72    407.961  3501.80    347.183  154.862 10.927  168.840 8.5018  -13.97850      13.84495 
1 1 1 -14 4   28 o 178.227 4.7579  3866.73    205.756  3784.05    291.150  3949.23    290.816  176.001 6.8177  179.828 6.6649  -3.827744      9.534284 
1 1 1 -14 4   29 o 178.240 4.6555  3867.86    201.342  3777.30    285.006  3958.08    284.476  175.815 6.6809  180.005 6.5132  -4.190155      9.330404 
1 1 1 -14 4   30 o 30.980  6.9048  122.014    50.577   127.544    64.973   113.510    80.570   31.658  8.3414  30.557  9.6853  1.101212       12.78222 
1 1 1 -14 4   31 o 111.210 4.1305  1505.73    111.459  1458.12    156.553  1554.68    158.723  109.076 5.9375  112.661 5.8263  -3.584923      8.318657 
1 1 1 -14 4   32 o 41.619  5.4595  215.187    53.803   193.393    73.394   240.505    79.104   38.934  8.0355  43.584  7.7649  -4.649490      11.17414 
1 1 1 -14 4   33 o 78.068  4.1379  744.973    78.101   711.034    108.553  781.395    112.454  75.960  5.9369  79.666  5.8586  -3.706223      8.340918 
1 1 1 -14 4   34 o 76.151  4.1352  709.468    76.122   641.302    105.025  784.909    110.487  72.033  6.0654  79.811  5.7438  -7.778427      8.353419 
1 1 1 -14 4   35 o 97.176  4.1062  1152.78    96.818   1086.80    134.884  1222.91    139.054  93.852  5.9540  99.625  5.7772  -5.772667      8.296153 
1 1 1 -14 4   36 o 142.715 4.3954  2491.02    152.205  2468.43    216.037  2513.29    214.473  141.470 6.2936  142.787 6.1904  -1.317490      8.827826 
1 1 1 -14 4   37 o 110.726 4.1688  1499.55    112.001  1459.84    157.491  1540.19    159.312  108.624 5.9986  111.615 5.9035  -2.991257      8.416320 
1 1 1 -14 4   38 o 23.326  7.8454  64.405     52.498   58.006     60.945   82.809     103.357  23.266  8.4102  28.733  10.849  -5.466797      13.72693 
1 1 1 -14 4   39 o 53.970  6.1449  365.153    79.036   425.238    95.768   236.826    139.956  58.051  6.9363  41.926  12.679  16.12539       14.45225 
1 1 1 -14 4   40 o 68.911  4.3969  584.968    73.136   591.580    99.191   577.092    108.263  68.858  5.9967  67.784  6.6688  1.073860       8.968465 
1 1 1 -14 4   41 f 36.953  7.0174  175.862    60.620   185.736    84.280   165.279    87.256   37.433  9.3161  35.313  9.8247  2.120453       13.53942 
1 1 1 -14 4   42 o 70.013  4.8085  606.299    81.192   564.994    112.422  651.330    117.384  66.847  7.0369  71.908  6.8088  -5.061401      9.791691 
1 1 1 -14 4   43 o 92.432  5.7703  1064.18    128.768  517.662    274.593  1218.23    145.793  58.160  17.796  98.765  6.1138  -40.60548      18.81735 
1 1 1 -14 4   44 o 86.251  6.9694  940.646    144.610  723.580    257.883  1040.21    174.654  70.176  15.554  90.119  8.0728  -19.94289      17.52387 
1 1 1 -14 4   45 o 71.233  7.2878  648.116    124.189  359.938    234.299  760.713    146.455  48.871  16.573  76.862  7.9686  -27.99146      18.38951 
1 1 1 -14 4   46 o 27.546  8.1506  99.576     58.304   105.690    78.169   91.910     87.532   28.742  9.5727  27.888  10.079  0.8535423      13.90080 
1 1 1 -14 4   47 o 33.374  7.4924  147.615    59.185   154.846    81.292   139.458    86.337   33.716  9.5195  32.153  10.002  1.562378       13.80833 
1 1 1 -14 4   48 o 70.752  4.8721  625.394    83.132   572.007    116.099  681.566    119.090  66.459  7.3211  72.900  6.8116  -6.440308      9.999799 
1 1 1 -14 4   49 o 27.026  8.3919  96.718     60.805   181.121    83.595   1.8947     88.605   36.166  9.4291  21.220  9.2268  14.94625       13.19246 
1 1 1 -14 4   50 o 69.859  4.9338  612.237    83.094   623.265    112.857  599.181    122.796  69.497  6.7790  67.610  7.6180  1.886612       10.19750 
1 1 1 -14 4   51 o 64.854  7.2939  549.086    112.787  549.086    112.787  0.0000     0.0000   64.854  7.2939  ?       ?       0.000000       7.293906 
1 1 1 -14 4   52 o 62.898  6.9259  513.218    103.950  459.789    116.732  717.874    228.464  58.598  8.4546  68.191  14.266  -9.592987      16.58339 
1 1 1 -14 4   53 f 33.541  9.6054  156.531    82.165   175.355    92.094   83.077     181.921  35.277  10.189  31.836  13.520  3.441414       16.92917 
1 1 1 -14 4   54 o 30.423  8.2816  126.073    62.774   86.344     78.033   198.937    105.678  26.457  9.5231  37.182  10.965  -10.72572      14.52311 
1 1 1 -14 4   55 o 62.600  5.2339  495.764    78.770   405.696    104.651  613.486    119.643  55.062  8.0728  68.408  7.3217  -13.34595      10.89852 
1 1 1 -14 4   56 o 42.820  11.420  274.086    120.827  274.178    264.758  274.061    135.792  40.812  16.735  42.150  12.429  -1.337730      20.84587 
1 1 1 -14 5   1  o 212.486 7.0596  5501.53    363.977  0.0000     0.0000   5501.53    363.977  ?       ?       212.486 7.0596  0.000000       7.059587 
1 1 1 -14 5   2  o 128.366 5.5395  2004.31    172.538  0.0000     0.0000   2004.31    172.538  ?       ?       128.366 5.5395  0.000000       5.539503 
1 1 1 -14 5   3  o 96.771  3.7614  1137.45    88.320   1186.30    126.726  1091.31    123.157  98.626  5.3151  94.576  5.3891  4.049927       7.569193 
1 1 1 -14 5   4  o 117.093 4.3252  1665.96    122.885  1885.74    202.032  1536.91    154.816  124.262 6.7257  112.259 5.7024  12.00314       8.817762 
1 1 1 -14 5   5  o 110.673 3.8079  1487.76    102.255  1576.20    144.150  1398.18    145.075  113.855 5.2179  107.069 5.6038  6.786118       7.656945 
1 1 1 -14 5   6  o 97.773  3.7228  1161.10    88.319   1234.42    124.605  1087.09    125.201  100.631 5.1201  94.382  5.4908  6.248566       7.507600 
1 1 1 -14 5   7  o 132.182 3.9676  2122.55    127.253  2211.25    179.635  2033.20    180.291  134.833 5.4907  129.275 5.7477  5.558197       7.948891 
1 1 1 -14 5   8  o 218.684 5.1001  5815.08    270.621  5747.79    382.171  5882.76    383.263  217.163 7.2529  219.706 7.1894  -2.543579      10.21229 
1 1 1 -14 5   9  o 333.075 6.9905  13518.87   564.956  13023.92   797.868  14016.56   800.075  326.144 10.082  338.447 9.7426  -12.30313      14.02037 
1 1 1 -14 5   10 o 70.222  3.8418  600.861    65.211   564.255    89.768   641.763    94.889   67.880  5.4975  72.427  5.4392  -4.547119      7.733526 
1 1 1 -14 5   11 o 117.674 3.9496  1682.57    112.771  1672.06    157.020  1693.77    162.064  117.219 5.5206  117.969 5.6618  -0.7491608     7.907833 
1 1 1 -14 5   12 o 158.332 4.2822  3047.23    164.514  2935.28    230.414  3163.66    234.969  155.242 6.1170  161.179 6.0081  -5.937378      8.574062 
1 1 1 -14 5   13 o 199.361 4.8100  4834.15    232.677  4639.28    327.266  5033.34    330.875  195.037 6.9154  203.183 6.7114  -8.145340      9.636694 
1 1 1 -14 5   14 o 170.072 4.4995  3517.30    185.676  3518.95    261.527  3515.62    263.657  169.917 6.3433  169.829 6.3983  0.8717346E-01  9.009745 
1 1 1 -14 5   15 o 71.846  5.4872  632.112    94.934   797.200    119.905  354.773    155.411  80.646  6.1745  52.569  12.387  28.07650       13.84070 
1 1 1 -14 5   16 o 82.920  5.3441  840.497    106.951  832.949    135.587  852.927    174.002  82.346  6.8481  83.012  8.7716  -0.6654510     11.12818 
1 1 1 -14 5   17 o 221.720 7.4830  6004.44    402.573  6302.09    545.248  5647.72    596.899  226.573 9.9179  213.745 11.552  12.82829       15.22545 
1 1 1 -14 5   18 o 147.264 5.9433  2642.17    212.367  2633.26    279.434  2654.34    326.751  146.575 7.8860  146.891 9.2143  -0.3160400     12.12817 
1 1 1 -14 5   19 o 61.743  4.0450  465.368    60.264   354.643    85.922   572.578    84.547   53.502  6.7701  68.401  5.1315  -14.89888      8.495139 
1 1 1 -14 5   20 o 105.607 3.8227  1355.41    97.955   1243.09    138.452  1467.99    138.608  100.872 5.6798  109.824 5.2015  -8.951408      7.701655 
1 1 1 -14 5   21 o 228.770 5.3965  6371.45    299.556  6357.84    423.745  6385.05    423.526  228.125 7.6554  228.617 7.6350  -0.4918365     10.81192 
1 1 1 -14 5   22 f 301.370 6.6209  11077.15   484.149  11218.07   685.185  10936.64   684.196  302.495 9.3353  298.641 9.4421  3.854309       13.27779 
1 1 1 -14 5   23 o 132.202 4.1627  2124.89    133.530  2405.93    188.066  1839.17    189.624  140.560 5.5142  122.651 6.3939  17.90890       8.443219 
1 1 1 -14 5   24 o 250.111 8.1421  7652.88    494.123  7830.94    732.238  7504.00    669.553  251.786 11.986  246.759 11.183  5.026932       16.39226 
1 1 1 -14 5   25 o 156.911 6.4155  3003.14    244.256  3119.27    377.029  2919.15    320.642  159.055 9.8173  154.138 8.6076  4.916367       13.05645 
1 1 1 -14 5   26 o 13.557  6.6512  -150.6443  74.869   16.056     122.867  -249.0977  94.424   26.801  11.231  13.870  6.9194  12.93111       13.19134 
1 1 1 -14 5   27 o 191.509 5.5592  4469.58    258.325  4309.04    321.940  4759.80    432.861  187.779 7.0659  196.897 9.0603  -9.118698      11.48983 
1 1 1 -14 5   28 o 197.268 4.9772  4739.64    238.236  4654.71    337.555  4823.94    336.283  195.093 7.1308  198.641 6.9770  -3.548645      9.976348 
1 1 1 -14 5   29 o 224.997 5.3961  6172.87    294.591  6083.04    417.612  6261.85    415.623  222.763 7.7262  226.058 7.5773  -3.294846      10.82174 
1 1 1 -14 5   30 o 42.485  5.4008  223.715    54.416   212.861    73.130   237.181    81.453   41.014  7.6293  43.267  8.0550  -2.253468      11.09459 
1 1 1 -14 5   31 o 73.381  4.2331  658.112    75.051   568.428    103.985  755.629    108.430  67.841  6.3924  78.420  5.7383  -10.57903      8.590174 
1 1 1 -14 5   32 o 124.436 4.2219  1887.45    127.473  1884.18    180.364  1890.72    180.186  124.032 5.9931  124.251 5.9766  -0.2184219     8.463878 
1 1 1 -14 5   33 o 57.722  4.4864  409.121    62.341   372.616    85.283   451.012    91.357   54.684  6.5583  60.280  6.3411  -5.596184      9.122545 
1 1 1 -14 5   34 o 110.724 4.1527  1496.44    111.568  1465.77    156.661  1528.01    158.924  109.082 5.9413  111.392 5.9010  -2.309906      8.373821 
1 1 1 -14 5   35 o 112.014 4.1285  1532.69    112.210  1462.42    157.686  1604.79    159.712  108.848 5.9936  114.103 5.7876  -5.255135      8.331867 
1 1 1 -14 5   36 o 13.357  6.0404  -22.2575   41.876   -64.2870   52.776   49.182     68.806   12.997  6.1732  23.190  8.8285  -10.19307      10.77274 
1 1 1 -14 5   37 o 54.738  5.9255  373.976    77.444   358.323    93.448   408.303    138.383  53.138  7.4526  55.659  10.634  -2.520794      12.98580 
1 1 1 -14 5   38 o 36.606  7.1711  172.484    61.416   216.317    74.057   75.934     109.909  40.945  7.7376  28.661  11.095  12.28472       13.52653 
1 1 1 -14 5   39 f 78.922  5.4276  772.066    103.305  720.150    127.943  869.310    175.104  75.658  7.0506  82.356  8.9045  -6.697685      11.35788 
1 1 1 -14 5   40 o 41.904  6.7173  223.873    65.992   174.968    88.332   285.649    99.279   36.298  9.8002  46.658  9.0961  -10.36038      13.37101 
1 1 1 -14 5   41 f 98.042  4.4084  1180.60    104.871  1208.99    149.290  1152.95    147.349  98.410  6.2849  96.062  6.3577  2.348412       8.939796 
1 1 1 -14 5   42 o 99.545  4.4041  1217.96    106.376  1120.00    150.151  1316.66    150.727  94.495  6.5900  102.737 6.0735  -8.241699      8.961843 
1 1 1 -14 5   43 o 121.019 6.8267  1842.22    199.641  1454.15    339.204  2047.89    246.941  101.813 14.110  126.733 8.0725  -24.92046      16.25606 
1 1 1 -14 5   44 o 54.726  8.1628  389.421    105.076  536.125    206.669  338.279    122.024  60.775  14.260  49.938  10.408  10.83694       17.65448 
1 1 1 -14 5   45 o 17.720  7.4705  8.2751     54.897   -86.0460   78.761   97.390     76.557   15.978  7.5753  27.892  9.4736  -11.91384      12.12984 
1 1 1 -14 5   46 o 42.890  6.4770  236.593    65.304   306.155    88.740   154.420    96.449   48.329  7.8357  33.722  10.585  14.60703       13.16995 
1 1 1 -14 5   47 o 33.145  7.7136  146.597    60.870   289.249    82.801   -21.1489   89.790   46.987  7.5160  20.199  9.0121  26.78777       11.73489 
1 1 1 -14 5   48 o 69.322  4.9335  601.711    82.442   424.572    113.565  799.066    119.871  56.397  8.5686  79.199  6.2896  -22.80119      10.62917 
1 1 1 -14 5   49 f 21.907  8.3342  49.342     61.288   94.619     79.421   -17.3131   96.364   27.355  9.6327  20.976  9.3490  6.379930       13.42352 
1 1 1 -14 5   50 o 22.140  9.1315  32.166     79.402   32.166     79.402   0.0000     0.0000   22.140  9.1315  ?       ?       0.000000       9.131492 
1 1 1 -14 5   51 o 19.824  8.4341  11.885     71.033   11.885     71.033   0.0000     0.0000   19.824  8.4341  ?       ?       0.000000       8.434146 
1 1 1 -14 5   52 o 33.053  9.7291  152.052    83.266   212.796    93.384   -83.5847   183.925  38.904  9.8754  25.983  12.079  12.92108       15.60237 
1 1 1 -14 5   53 o 19.509  8.0204  23.121     61.011   -34.2231   76.753   121.547    100.555  17.802  8.1005  30.419  10.825  -12.61676      13.52031 
1 1 1 -14 5   54 o 30.339  8.2476  125.680    62.308   157.923    77.259   65.691     105.383  33.674  9.1963  26.437  10.662  7.237926       14.08010 
1 1 1 -14 5   55 o 28.073  11.061  88.120     110.828  104.412    260.151  84.508     122.501  34.980  15.488  28.454  11.488  6.525745       19.28375 
1 1 1 -14 6   1  o 161.865 6.0583  3189.18    237.942  0.0000     0.0000   3189.18    237.942  ?       ?       161.865 6.0583  0.000000       6.058342 
1 1 1 -14 6   2  o 184.187 4.5800  4123.43    204.686  4343.89    289.547  3903.21    289.393  188.889 6.3176  179.016 6.6624  9.872818       9.181461 
1 1 1 -14 6   3  o 130.322 3.9513  2063.30    124.945  2148.18    175.581  1976.22    177.837  132.895 5.4451  127.446 5.7509  5.448883       7.919704 
1 1 1 -14 6   4  o 217.961 5.1886  5777.04    274.405  5699.73    386.330  5855.75    389.829  216.242 7.3630  219.186 7.3299  -2.944229      10.38945 
1 1 1 -14 6   5  o 127.732 3.9650  1982.13    122.888  2016.83    172.265  1946.17    175.357  128.763 5.5137  126.475 5.7142  2.288162       7.940552 
1 1 1 -14 6   6  o 182.586 4.5981  4052.10    203.711  4149.74    287.193  3953.23    288.996  184.609 6.4114  180.165 6.6109  4.444641       9.209248 
1 1 1 -14 6   7  o 172.367 4.4498  3610.94    186.105  3669.82    262.727  3551.64    263.661  173.617 6.2366  170.786 6.3625  2.830612       8.909387 
1 1 1 -14 6   8  o 105.596 3.7677  1354.58    96.535   1397.42    136.880  1312.19    136.165  107.185 5.2631  103.715 5.4296  3.469727       7.561792 
1 1 1 -14 6   9  o 198.563 4.7851  4793.98    230.542  4722.28    325.656  4866.01    326.418  196.848 6.8181  199.832 6.7320  -2.984467      9.581580 
1 1 1 -14 6   10 o 166.701 4.3745  3377.95    176.943  3434.51    249.940  3321.11    250.531  167.934 6.1339  165.126 6.2529  2.807861       8.759166 
1 1 1 -14 6   11 o 79.697  3.8006  771.761    73.495   788.845    101.290  752.766    106.804  80.351  5.2237  78.436  5.6497  1.914917       7.694532 
1 1 1 -14 6   12 o 104.951 3.8671  1338.53    98.478   1383.79    136.567  1289.50    142.137  106.634 5.2782  102.751 5.7238  3.882896       7.785961 
1 1 1 -14 6   13 o 119.128 3.9086  1724.76    112.979  1900.44    157.657  1539.31    161.983  124.963 5.1996  112.252 5.9686  12.71044       7.915816 
1 1 1 -14 6   14 o 98.090  4.6586  1170.34    110.878  1182.78    126.992  1130.46    227.436  98.427  5.3373  95.465  9.9656  2.962532       11.30488 
1 1 1 -14 6   15 o 131.252 5.8074  2098.60    184.949  2052.73    235.508  2172.40    298.745  129.415 7.5325  132.795 9.3308  -3.380157      11.99179 
1 1 1 -14 6   16 o 89.169  5.4459  971.700    117.263  1154.27    149.269  677.397    189.516  97.095  6.3712  73.415  10.976  23.68062       12.69098 
1 1 1 -14 6   17 o 176.182 6.4911  3784.93    277.487  3921.50    370.164  3609.73    419.255  179.005 8.5225  171.145 10.141  7.859818       13.24674 
1 1 1 -14 6   18 o 115.273 3.9068  1615.02    109.271  1573.22    154.119  1657.28    154.951  113.662 5.5883  116.669 5.4736  -3.006081      7.822352 
1 1 1 -14 6   19 o 362.677 8.8128  16106.04   775.531  16196.11   956.240  15932.95   1325.66  362.823 10.862  357.434 15.285  5.389435       18.75151 
1 1 1 -14 6   20 o 235.821 5.5021  6771.33    314.831  7002.11    445.414  6540.92    445.061  239.398 7.6680  231.324 7.9293  8.074356       11.03047 
1 1 1 -14 6   21 o 34.138  6.2771  146.514    50.080   127.872    68.520   167.891    73.375   31.806  8.6500  36.324  8.4795  -4.517359      12.11293 
1 1 1 -14 6   22 o 113.459 4.0740  1564.95    112.158  1547.33    157.414  1583.13    159.844  112.555 5.7834  113.850 5.8056  -1.294739      8.194660 
1 1 1 -14 6   23 o 59.266  4.5834  429.797    65.398   351.099    88.906   522.588    96.538   53.171  7.0662  65.187  6.1772  -12.01599      9.385534 
1 1 1 -14 6   24 o 223.182 7.6730  6089.42    415.519  5965.19    623.398  6188.73    557.391  219.477 11.749  224.328 10.240  -4.851776      15.58513 
1 1 1 -14 6   25 o 129.907 6.1433  2057.92    193.644  2007.97    307.917  2090.59    249.059  127.399 10.042  130.484 7.9038  -3.084244      12.77967 
1 1 1 -14 6   26 o 58.376  7.4374  423.292    102.953  398.460    176.979  435.994    126.574  55.526  13.309  58.924  9.1498  -3.397793      16.15100 
1 1 1 -14 6   27 o 158.964 4.4743  3075.24    172.578  2991.49    244.023  3159.04    244.101  156.528 6.4250  160.878 6.2533  -4.350815      8.965743 
1 1 1 -14 6   28 o 57.425  4.6768  404.193    64.598   459.597    89.605   344.236    93.214   61.053  6.1315  52.495  7.5340  8.557793       9.713737 
1 1 1 -14 6   29 f 277.108 6.2415  9385.22    419.664  9270.65    594.913  9498.71    592.086  274.352 8.9368  277.776 8.7847  -3.424316      12.53142 
1 1 1 -14 6   30 o 98.827  4.0497  1189.16    97.110   1190.90    136.034  1187.36    138.673  98.562  5.7127  98.393  5.8345  0.1690979      8.165548 
1 1 1 -14 6   31 o 173.395 4.7106  3668.19    198.189  3729.82    281.301  3607.44    279.273  174.360 6.6491  171.457 6.7129  2.902649       9.448443 
1 1 1 -14 6   32 o 91.683  4.1182  1024.89    91.614   1094.52    129.275  954.648    129.851  94.370  5.6720  88.016  6.1182  6.354240       8.342922 
1 1 1 -14 6   33 o 29.905  7.5219  114.835    54.530   112.335    63.719   121.677    105.406  29.685  8.4443  32.252  11.112  -2.566645      13.95669 
1 1 1 -14 6   34 f 91.819  4.1195  1029.57    91.779   977.543    128.854  1083.14    130.757  88.948  6.0055  93.710  5.7788  -4.761841      8.334289 
1 1 1 -14 6   35 o 83.725  4.1486  856.862    84.279   853.943    117.671  859.937    120.767  83.072  5.8757  83.326  6.0136  -0.2543869     8.407565 
1 1 1 -14 6   36 o 54.079  6.0318  365.320    77.799   401.262    93.787   286.017    139.311  56.440  6.9985  46.066  12.251  10.37429       14.10908 
1 1 1 -14 6   37 o 84.232  5.5421  878.483    112.637  824.007    140.040  978.300    189.564  81.006  7.1999  87.493  9.0606  -6.487648      11.57291 
1 1 1 -14 6   38 o 142.605 6.1794  2521.33    213.820  2639.41    276.004  2344.10    338.147  144.741 7.8887  134.523 10.441  10.21786       13.08645 
1 1 1 -14 6   39 o 70.566  4.7463  614.991    80.795   697.432    117.827  541.826    111.000  74.583  6.5783  65.490  7.0989  9.093170       9.678258 
1 1 1 -14 6   40 o 47.265  6.1433  281.746    68.788   291.489    96.392   271.635    98.195   47.240  8.7310  45.392  9.2299  1.848766       12.70520 
1 1 1 -14 6   41 o 60.087  5.3921  449.843    77.778   496.455    108.152  399.915    111.933  62.506  7.2666  55.516  8.5866  6.990120       11.24870 
1 1 1 -14 6   42 o 110.348 6.5374  1527.00    174.258  1669.77    306.008  1458.48    211.988  111.806 11.441  106.820 8.2426  4.985962       14.10099 
1 1 1 -14 6   43 o 22.794  9.3478  30.585     82.619   493.081    173.744  -104.5529  93.917   59.455  12.443  17.353  8.2403  42.10181       14.92422 
1 1 1 -14 6   44 o 98.568  4.8678  1202.40    116.421  1242.70    149.635  1140.59    185.319  99.406  6.2354  94.017  8.2059  5.389046       10.30612 
1 1 1 -14 6   45 o 45.958  6.1765  269.499    67.132   212.835    95.574   324.684    94.318   39.371  9.9887  49.716  8.0975  -10.34499      12.85862 
1 1 1 -14 6   46 o 101.361 4.5453  1272.55    111.789  1188.13    156.286  1360.99    159.966  96.581  6.7107  103.619 6.3937  -7.037636      9.268914 
1 1 1 -14 6   47 o 29.671  8.8995  118.507    69.162   69.894     100.516  162.216    95.311   26.693  10.529  34.192  10.489  -7.499191      14.86165 
1 1 1 -14 6   48 o 50.824  5.3315  327.033    64.768   360.125    95.607   298.965    88.051   52.201  7.7864  47.409  7.9348  4.792297       11.11711 
1 1 1 -14 6   49 o 23.408  9.1564  53.213     75.458   53.213     75.458   0.0000     0.0000   23.408  9.1564  ?       ?       0.000000       9.156397 
1 1 1 -14 6   50 o 13.128  6.4217  -120.5422  68.216   -120.5422  68.216   0.0000     0.0000   13.128  6.4217  ?       ?       0.000000       6.421727 
1 1 1 -14 6   51 o 62.106  7.0638  502.086    104.554  563.410    117.027  259.538    232.738  65.559  7.4914  41.157  16.086  24.40228       17.74458 
1 1 1 -14 6   52 o 14.006  6.7461  -93.6560   67.997   -62.9693   73.123   -289.7725  184.857  15.965  7.4853  21.281  10.443  -5.315787      12.84850 
1 1 1 -14 6   53 o 59.018  5.6489  443.295    79.905   403.553    105.859  495.923    121.820  54.919  8.1948  60.771  8.4935  -5.852074      11.80232 
1 1 1 -14 6   54 o 46.861  6.5503  286.402    72.444   327.056    95.651   231.710    110.944  49.154  8.3164  39.742  11.086  9.412590       13.85862 
1 1 1 -14 7   1  o 93.540  5.2263  1067.56    118.145  0.0000     0.0000   1067.56    118.145  ?       ?       93.540  5.2263  0.000000       5.226295 
1 1 1 -14 7   2  o 250.161 5.6181  7614.60    341.013  7908.31    480.844  7317.39    483.701  254.598 7.7837  244.837 8.1421  9.761154       11.26406 
1 1 1 -14 7   3  o 244.595 5.4872  7278.32    325.659  7299.92    458.777  7256.38    462.345  244.625 7.7293  243.880 7.8132  0.7452240      10.99031 
1 1 1 -14 7   4  f 237.397 5.3582  6855.40    308.644  6878.30    434.722  6832.13    438.277  237.486 7.5442  236.673 7.6320  0.8128357      10.73131 
1 1 1 -14 7   5  o 240.969 5.4548  7064.09    318.934  7040.93    449.372  7087.60    452.729  240.243 7.7089  241.032 7.7410  -0.7894592     10.92477 
1 1 1 -14 7   6  o 97.137  3.7651  1146.27    88.741   1196.82    124.289  1093.71    126.744  99.061  5.1889  94.649  5.5430  4.412247       7.592766 
1 1 1 -14 7   7  o 202.465 4.9079  4984.80    241.108  4918.15    339.823  5052.36    342.144  200.868 6.9723  203.596 6.9259  -2.728714      9.827578 
1 1 1 -14 7   8  o 136.525 4.0115  2264.95    132.885  2236.60    187.365  2293.64    188.497  135.557 5.6964  137.277 5.6590  -1.720520      8.029588 
1 1 1 -14 7   9  o 89.656  3.7267  976.597    81.070   1033.08    114.961  920.721    114.342  92.006  5.1705  86.811  5.4561  5.194672       7.516842 
1 1 1 -14 7   10 o 283.499 6.2878  9792.54    432.530  9789.26    611.123  9795.84    612.257  282.845 8.9046  282.936 8.9183  -0.9143066E-01 12.60271 
1 1 1 -14 7   11 o 271.438 5.9620  8974.66    392.669  8998.73    554.851  8950.51    555.785  271.259 8.4300  270.522 8.4672  0.7373657      11.94816 
1 1 1 -14 7   12 o 101.483 3.8190  1251.59    94.039   1357.29    132.587  1144.59    133.401  105.606 5.1743  96.780  5.7060  8.826447       7.702722 
1 1 1 -14 7   13 o 131.848 4.8977  2115.12    156.685  2097.37    182.198  2165.54    307.022  131.224 5.7222  132.529 9.6130  -1.304749      11.18720 
1 1 1 -14 7   14 f 142.476 5.8405  2473.05    201.910  2057.18    259.230  3114.46    321.938  129.412 8.2993  159.328 8.3567  -29.91588      11.77764 
1 1 1 -14 7   15 o 75.131  5.6660  691.383    102.531  663.554    120.881  762.744    193.570  73.428  6.8643  78.098  10.479  -4.669243      12.52741 
1 1 1 -14 7   16 o 20.953  8.1265  33.781     59.052   33.781     59.052   0.0000     0.0000   20.953  8.1265  ?       ?       0.000000       8.126478 
1 1 1 -14 7   17 o 15.256  6.2413  9.6650     36.719   23.337     51.113   -4.9159    52.784   18.915  7.4932  16.708  7.1929  2.207207       10.38677 
1 1 1 -14 7   18 o 219.887 5.2122  5885.08    278.090  5923.21    393.710  5847.13    392.849  220.240 7.3674  218.814 7.3992  1.425140       10.44163 
1 1 1 -14 7   19 o 99.251  3.8125  1197.20    91.815   1247.80    129.438  1145.97    130.258  101.107 5.2945  96.850  5.5664  4.257317       7.682232 
1 1 1 -14 7   20 f 274.688 6.2411  9197.54    415.973  9066.43    588.285  9328.64    588.264  272.056 8.9118  275.999 8.7842  -3.943634      12.51326 
1 1 1 -14 7   21 o 280.381 6.2989  9584.29    428.527  9546.43    606.306  9622.07    605.751  279.131 8.9520  280.248 8.9082  -1.117126      12.62907 
1 1 1 -14 7   22 o 219.077 5.2705  5843.22    280.163  5505.12    396.264  6181.13    396.157  212.224 7.6953  224.969 7.2574  -12.74551      10.57770 
1 1 1 -14 7   23 o 169.396 6.6469  3501.37    273.206  3452.27    418.301  3537.90    360.790  167.214 10.361  169.693 8.7926  -2.479111      13.58889 
1 1 1 -14 7   24 o 282.112 8.9578  9760.69    613.178  9765.24    901.917  9756.78    836.143  280.386 13.257  280.731 12.275  -0.3453979     18.06731 
1 1 1 -14 7   25 o 200.307 7.3206  4905.05    355.801  4561.63    537.927  5172.14    474.397  191.732 11.618  205.146 9.5305  -13.41389      15.02662 
1 1 1 -14 7   26 o 140.091 4.2866  2387.69    145.709  2358.80    204.597  2417.42    207.563  139.046 6.0642  140.761 6.0772  -1.715439      8.585297 
1 1 1 -14 7   27 o 101.824 4.1302  1261.44    102.042  1258.85    141.637  1264.24    147.138  101.419 5.7796  101.603 5.9949  -0.1841812     8.327218 
1 1 1 -14 7   28 o 102.541 4.1000  1279.63    102.010  1227.59    142.719  1333.98    145.859  100.097 5.9023  104.379 5.7817  -4.281906      8.262311 
1 1 1 -14 7   29 o 122.904 4.2286  1839.55    126.103  1712.31    176.774  1971.38    179.941  118.166 6.1869  127.015 5.8386  -8.849091      8.506918 
1 1 1 -14 7   30 o 144.540 4.3026  2546.13    150.898  2572.52    213.264  2519.67    213.542  144.965 6.0630  143.453 6.1349  1.511871       8.625427 
1 1 1 -14 7   31 o 40.675  5.6274  206.257    54.051   221.167    71.734   186.673    82.213   41.791  7.3422  38.046  9.0394  3.745087       11.64553 
1 1 1 -14 7   32 o 58.221  4.5182  416.432    63.327   434.715    87.149   395.976    92.180   59.185  6.1588  56.293  6.8927  2.891548       9.243378 
1 1 1 -14 7   33 f 47.788  5.0275  282.688    57.421   253.254    77.047   319.461    86.120   44.684  7.3628  50.332  7.2618  -5.648342      10.34137 
1 1 1 -14 7   34 o 52.062  4.8224  334.844    60.227   320.080    82.183   351.970    88.516   50.417  6.8990  52.862  7.0787  -2.445190      9.884560 
1 1 1 -14 7   35 o 110.969 4.1502  1506.22    111.748  1493.27    157.804  1519.24    158.267  109.871 5.9414  110.837 5.9062  -0.9663620     8.377556 
1 1 1 -14 7   36 o 109.969 5.6182  1495.10    149.410  1402.90    188.406  1651.36    245.258  105.796 7.3858  113.999 8.9383  -8.202942      11.59491 
1 1 1 -14 7   37 o 58.483  5.9668  427.413    83.484   397.381    99.424   499.206    153.724  55.891  7.5224  61.459  10.697  -5.568245      13.07715 
1 1 1 -14 7   38 o 62.335  4.4924  479.505    67.493   442.873    92.622   520.978    98.553   59.330  6.5428  64.454  6.3858  -5.123898      9.142523 
1 1 1 -14 7   39 o 15.246  6.9883  -38.3302   58.498   -70.4822   81.271   -3.7638    84.267   17.089  7.9727  20.873  9.0367  -3.783867      12.05098 
1 1 1 -14 7   40 o 60.205  5.3392  451.273    77.187   412.724    104.867  496.849    114.025  56.729  7.8270  62.378  7.6968  -5.649342      10.97739 
1 1 1 -14 7   41 o 157.794 4.8810  3071.09    186.879  2870.80    263.270  3274.51    265.316  151.127 7.1795  161.723 6.7613  -10.59566      9.862074 
1 1 1 -14 7   42 o 50.127  9.2683  332.955    108.575  -167.1553  205.815  525.804    127.806  26.341  12.415  63.660  8.4854  -37.31923      15.03772 
1 1 1 -14 7   43 o 47.537  9.0707  300.684    100.809  76.826     201.639  375.282    116.400  33.838  14.294  53.094  9.3783  -19.25621      17.09610 
1 1 1 -14 7   44 o 60.102  5.2702  452.431    76.080   385.406    108.358  517.597    106.845  54.074  8.5424  63.567  7.0458  -9.492474      11.07318 
1 1 1 -14 7   45 o 58.911  5.3632  436.269    75.824   453.697    107.644  419.106    106.823  59.039  7.6974  56.558  8.0079  2.480999       11.10755 
1 1 1 -14 7   46 f 63.791  5.3208  511.890    81.606   582.753    113.935  437.240    116.940  67.199  7.0949  57.266  8.6887  9.933201       11.21743 
1 1 1 -14 7   47 o 48.861  6.0161  305.703    69.818   313.952    95.262   296.129    102.624  48.378  8.4212  46.414  9.4340  1.964245       12.64584 
1 1 1 -14 7   48 o 34.958  9.7652  171.117    86.021   171.117    86.021   0.0000     0.0000   34.958  9.7652  ?       ?       0.000000       9.765233 
1 1 1 -14 7   49 o 38.076  9.5119  202.751    87.625   202.751    87.625   0.0000     0.0000   38.076  9.5119  ?       ?       0.000000       9.511933 
1 1 1 -14 7   50 o 32.749  9.7246  149.523    82.889   117.910    90.275   319.328    209.223  29.774  10.282  44.243  15.628  -14.46835      18.70766 
1 1 1 -14 7   51 o 38.685  9.3224  208.082    86.475   199.689    94.418   251.766    215.399  37.553  10.129  40.648  15.586  -3.095539      18.58811 
1 1 1 -14 7   52 o 44.790  6.6554  261.590    70.132   220.808    91.120   320.860    109.849  39.716  9.5687  47.961  9.7711  -8.244904      13.67605 
1 1 1 -14 7   53 o 58.707  5.6143  439.195    79.000   467.654    104.177  400.684    121.188  59.613  7.3584  53.665  9.6623  5.948257       12.14519 
1 1 1 -14 7   54 o 33.707  11.617  164.239    115.203  -139.4167  269.043  232.415    127.481  29.018  13.827  39.066  12.155  -10.04732      18.40992 
1 1 1 -14 8   1  o 344.228 7.3189  14452.49   611.302  15261.49   862.457  13635.73   866.581  352.894 10.072  333.349 10.714  19.54510       14.70505 
1 1 1 -14 8   2  o 41.258  4.3304  209.163    42.705   222.429    60.187   195.714    60.602   42.322  6.0317  39.564  6.5414  2.757347       8.897814 
1 1 1 -14 8   3  f 328.452 8.0538  13171.44   641.856  13428.34   790.364  12673.84   1099.98  331.124 9.8372  320.076 14.163  11.04874       17.24449 
1 1 1 -14 8   4  o 38.915  4.9975  187.192    46.098   192.876    74.932   183.731    58.472   39.024  8.1754  38.308  6.5245  0.7159767      10.45976 
1 1 1 -14 8   5  o 339.629 7.1944  14066.41   592.872  13880.63   836.903  14253.57   840.000  336.487 10.250  341.012 10.152  -4.524292      14.42676 
1 1 1 -14 8   6  o 281.662 6.1349  9661.73    419.277  9428.61    591.463  9897.20    594.442  277.688 8.7782  284.547 8.6098  -6.858917      12.29573 
1 1 1 -14 8   7  o 282.257 6.1854  9704.11    423.623  9657.88    597.952  9750.70    600.240  281.020 8.7693  282.369 8.7608  -1.349426      12.39567 
1 1 1 -14 8   8  o 154.370 4.3009  2896.83    161.098  2811.83    226.695  2983.55    228.977  151.930 6.1494  156.513 6.0294  -4.582794      8.612160 
1 1 1 -14 8   9  o 227.697 5.3496  6310.06    295.557  6476.87    417.350  6142.23    418.615  230.339 7.4674  224.268 7.6928  6.071899       10.72105 
1 1 1 -14 8   10 o 190.725 4.6882  4424.35    216.957  4453.68    306.290  4394.82    307.360  191.117 6.6050  189.840 6.6726  1.276718       9.388768 
1 1 1 -14 8   11 o 161.409 4.3705  3167.94    171.169  3207.86    241.725  3127.79    242.414  162.243 6.1403  160.194 6.2366  2.048904       8.752059 
1 1 1 -14 8   12 o 113.979 4.6510  1580.27    128.628  1573.26    152.402  1597.61    239.830  113.664 5.5259  113.897 8.7449  -0.2327194     10.34449 
1 1 1 -14 8   13 o 65.888  5.4878  532.265    86.937   496.417    108.717  595.843    144.785  63.364  7.1990  69.205  8.8230  -5.841251      11.38733 
1 1 1 -14 8   14 o 195.765 6.6947  4675.27    318.003  3979.17    422.073  5589.25    483.636  179.805 9.7104  213.490 9.3363  -33.68587      13.47064 
1 1 1 -14 8   15 o 49.126  6.7933  299.942    78.810   230.061    90.951   510.505    157.879  42.538  9.0878  63.614  10.602  -21.07582      13.96356 
1 1 1 -14 8   16 o 212.083 5.0006  5473.50    257.331  5188.84    362.054  5764.10    365.816  206.152 7.2381  217.335 6.9370  -11.18338      10.02552 
1 1 1 -14 8   17 o 200.469 4.9436  4890.09    240.464  4724.04    338.395  5059.46    341.766  196.728 7.0891  203.622 6.9173  -6.894089      9.904823 
1 1 1 -14 8   18 o 109.762 3.9542  1464.41    105.312  1399.81    146.230  1534.02    151.793  107.060 5.6492  112.235 5.5739  -5.174828      7.936100 
1 1 1 -14 8   19 o 220.345 5.3067  5910.71    283.720  5975.10    402.245  5846.96    400.243  221.162 7.4958  218.769 7.5400  2.393265       10.63197 
1 1 1 -14 8   20 o 31.728  6.8896  127.576    51.519   101.402    70.607   157.376    75.340   28.904  9.0543  35.166  8.8394  -6.262096      12.65370 
1 1 1 -14 8   21 o 98.174  4.0421  1171.73    96.287   1227.04    134.454  1113.51    137.954  100.220 5.5508  95.400  5.9901  4.820244       8.166507 
1 1 1 -14 8   22 o 143.266 6.2706  2502.94    217.978  2419.14    338.086  2562.56    285.163  139.947 10.023  144.480 8.1677  -4.533127      12.92926 
1 1 1 -14 8   23 o 133.588 6.1426  2176.16    199.106  2153.70    314.868  2191.13    257.015  132.004 9.9027  133.584 7.9656  -1.579651      12.70885 
1 1 1 -14 8   24 o 62.857  7.4588  489.761    111.540  127.137    184.437  698.862    140.054  37.809  14.440  75.180  7.7908  -37.37086      16.40760 
1 1 1 -14 8   25 o 146.020 4.3416  2594.20    153.824  2621.35    217.648  2567.09    217.430  146.576 6.1197  145.043 6.1782  1.532791       8.696013 
1 1 1 -14 8   26 o 164.081 4.6484  3277.93    185.066  3221.56    261.190  3334.75    262.260  162.366 6.6297  165.210 6.5423  -2.843475      9.314263 
1 1 1 -14 8   27 o 178.327 4.7472  3873.91    205.408  3640.65    289.921  4109.02    291.062  172.476 6.9277  183.321 6.5435  -10.84485      9.529424 
1 1 1 -14 8   28 o 114.800 4.1866  1604.67    116.618  1602.24    163.418  1607.18    166.469  114.359 5.9095  114.517 6.0120  -0.1573868     8.430114 
1 1 1 -14 8   29 o 19.829  7.1086  40.967     43.438   29.717     56.505   57.220     67.918   20.173  7.9143  24.047  8.8498  -3.873440      11.87245 
1 1 1 -14 8   30 o 19.816  7.0050  42.183     42.041   66.347     54.670   7.2147     65.765   23.878  8.0061  19.493  8.1951  4.385078       11.45676 
1 1 1 -14 8   31 o 87.692  4.0935  937.928    87.100   929.448    121.926  946.766    124.470  86.871  5.8180  87.665  5.8857  -0.7939682     8.275913 
1 1 1 -14 8   32 o 53.905  4.7823  358.199    61.902   364.893    83.336   349.960    92.457   54.060  6.4825  52.692  7.4384  1.368519       9.866771 
1 1 1 -14 8   33 o 105.989 4.1774  1372.76    107.432  1340.97    151.958  1404.52    151.905  104.180 6.0373  106.673 5.8917  -2.493248      8.435663 
1 1 1 -14 8   34 o 111.285 4.1698  1514.66    112.594  1518.11    158.551  1511.14    159.923  110.812 5.9182  110.533 5.9852  0.2789993      8.417108 
1 1 1 -14 8   35 o 148.446 6.2499  2727.24    225.117  2840.93    291.645  2559.66    354.092  150.360 8.0229  141.040 10.421  9.319565       13.15134 
1 1 1 -14 8   36 o 66.367  5.7977  548.312    92.426   513.524    113.245  617.716    159.955  63.679  7.4712  68.934  9.8426  -5.254704      12.35701 
1 1 1 -14 8   37 o 83.182  5.6212  858.941    112.789  892.697    138.831  793.408    193.437  84.355  6.8418  77.781  10.519  6.574478       12.54858 
1 1 1 -14 8   38 o 61.434  5.2959  469.146    78.171   400.554    109.880  539.440    111.234  55.713  8.3883  65.301  7.1364  -9.587719      11.01327 
1 1 1 -14 8   39 o 50.970  5.7631  325.807    70.023   230.125    96.659   431.478    101.578  41.516  9.7599  58.208  7.3563  -16.69189      12.22174 
1 1 1 -14 8   40 o 86.384  4.6307  921.234    96.706   1021.41    135.723  817.929    137.828  90.355  6.2287  80.423  7.1372  9.931900       9.472952 
1 1 1 -14 8   41 o 36.119  10.363  175.736    95.559   58.882     183.086  219.488    112.029  32.276  13.627  40.056  11.128  -7.779877      17.59339 
1 1 1 -14 8   42 f 33.788  10.541  152.405    95.814   -55.2687   186.265  227.129    111.730  27.944  12.678  40.592  11.048  -12.64759      16.81660 
1 1 1 -14 8   43 o 62.363  5.3820  487.249    80.642   443.882    111.743  534.383    116.495  58.351  8.1117  64.360  7.6070  -6.008514      11.12054 
1 1 1 -14 8   44 o 18.053  7.5115  13.738     54.404   30.016     75.756   -3.5970    78.180   21.860  8.9564  19.867  8.6525  1.993784       12.45324 
1 1 1 -14 8   45 o 46.291  6.1530  274.453    67.399   260.440    94.086   289.225    96.597   43.768  9.1537  46.298  8.9224  -2.529869      12.78277 
1 1 1 -14 8   46 o 19.324  7.7315  28.448     54.936   106.201    75.697   -58.0732   79.851   28.419  9.4180  17.135  7.9637  11.28390       12.33365 
1 1 1 -14 8   47 o 62.808  5.0454  496.291    76.242   635.377    113.223  380.903    103.127  70.187  6.7310  53.409  8.2216  16.77800       10.62548 
1 1 1 -14 8   48 o 21.617  9.1030  22.154     81.361   22.154     81.361   0.0000     0.0000   21.617  9.1030  ?       ?       0.000000       9.103005 
1 1 1 -14 8   49 o 41.766  6.9153  229.313    67.629   263.102    90.073   185.652    102.390  43.863  8.7697  35.980  10.837  7.882511       13.94049 
1 1 1 -14 8   50 o 52.670  7.5932  366.645    94.236   342.650    108.366  441.078    190.861  49.915  9.2893  52.623  14.489  -2.708496      17.21087 
1 1 1 -14 8   51 o 45.925  8.4928  285.789    91.152   312.346    99.710   150.702    224.882  47.813  8.9229  36.140  15.172  11.67300       17.60120 
1 1 1 -14 8   52 o 74.582  5.2682  702.641    94.724   647.443    126.249  773.736    143.280  70.158  7.5343  76.522  7.8269  -6.364235      10.86395 
1 1 1 -14 8   53 o 38.316  11.028  216.132    108.062  353.760    268.530  189.537    118.041  44.360  17.295  35.826  11.755  8.534187       20.91170 
1 1 1 -14 9   1  o 420.249 8.5492  21591.62   871.753  21396.48   1229.98  21788.58   1235.73  416.714 12.165  420.543 12.110  -3.829865      17.16484 
1 1 1 -14 9   2  o 245.943 5.5875  7362.49    333.440  7444.21    469.302  7279.19    473.840  246.916 7.8332  244.130 7.9992  2.785614       11.19581 
1 1 1 -14 9   3  o 250.727 5.6583  7652.32    344.233  7639.87    484.664  7665.00    489.002  250.108 7.9864  250.507 8.0450  -0.3987885     11.33599 
1 1 1 -14 9   4  o 413.311 8.4312  20880.44   845.536  20929.37   1193.64  20831.15   1197.91  412.256 11.933  411.251 12.005  1.005341       16.92647 
1 1 1 -14 9   5  o 105.535 3.7221  1353.22    95.312   1347.42    133.669  1359.23    135.943  105.232 5.2350  105.554 5.3250  -0.3219757     7.467361 
1 1 1 -14 9   6  o 133.484 4.0592  2165.57    131.473  2135.48    184.153  2196.85    187.761  132.435 5.7308  134.322 5.7610  -1.887009      8.125914 
1 1 1 -14 9   7  o 185.201 4.6523  4171.33    209.061  3970.77    293.885  4376.80    297.462  180.458 6.7118  189.493 6.4696  -9.035431      9.322195 
1 1 1 -14 9   8  o 335.196 7.0478  13709.37   573.211  13375.80   809.604  14044.66   811.684  330.098 10.108  338.336 9.8872  -8.237885      14.13963 
1 1 1 -14 9   9  o 297.465 6.4318  10787.91   464.232  10513.57   655.624  11063.77   657.427  292.902 9.2251  300.536 9.0154  -7.634064      12.89883 
1 1 1 -14 9   10 o 23.893  6.4591  71.921     38.341   63.745     54.262   80.073     54.183   23.652  7.9760  25.632  7.9157  -1.979757      11.23716 
1 1 1 -14 9   11 o 211.312 7.3417  5453.58    376.434  5953.57    509.500  4852.58    558.598  220.285 9.5322  197.998 11.679  22.28758       15.07516 
1 1 1 -14 9   12 o 136.991 5.7962  2286.36    192.664  2298.35    251.490  2269.32    299.757  136.937 7.5988  135.757 9.1535  1.180222       11.89653 
1 1 1 -14 9   13 o 205.153 7.0441  5137.71    350.646  5125.24    472.830  5152.94    522.687  204.381 9.5346  204.408 10.575  -0.2706909E-01 14.23841 
1 1 1 -14 9   14 o 97.735  5.2896  1166.24    124.973  937.230    159.527  1530.08    201.075  87.257  7.6110  111.674 7.4636  -24.41750      10.65986 
1 1 1 -14 9   15 o 131.553 4.1060  2103.94    131.065  2058.80    183.173  2151.30    187.614  130.000 5.8071  132.887 5.8186  -2.887039      8.220611 
1 1 1 -14 9   16 o 116.802 4.0583  1658.48    115.016  1559.96    159.580  1764.98    165.920  113.008 5.8397  120.377 5.6806  -7.368683      8.146831 
1 1 1 -14 9   17 o 159.878 4.4104  3108.49    171.094  2962.45    239.083  3261.78    244.950  155.881 6.3211  163.586 6.1712  -7.704712      8.833986 
1 1 1 -14 9   18 o 34.111  6.3385  146.379    50.531   155.705    64.122   131.097    82.081   35.018  7.7515  32.486  9.6841  2.531906       12.40439 
1 1 1 -14 9   19 o 305.216 6.6035  11363.81   489.042  10666.25   690.905  12064.23   692.318  294.784 9.6594  313.714 9.0951  -18.92987      13.26744 
1 1 1 -14 9   20 o 115.615 4.1307  1625.21    115.879  1573.96    162.624  1678.08    165.161  113.493 5.9260  117.355 5.8002  -3.862274      8.292114 
1 1 1 -14 9   21 o 106.746 6.1028  1393.68    157.414  1515.67    266.035  1327.96    195.264  110.607 10.022  103.921 7.8008  6.686745       12.69972 
1 1 1 -14 9   22 o 136.648 6.2240  2277.34    206.365  2563.10    330.582  2094.89    264.155  144.163 9.5040  130.519 8.3854  13.64359       12.67444 
1 1 1 -14 9   23 o 132.356 6.2003  2136.99    199.124  2205.13    321.565  2094.61    253.594  133.509 9.9991  130.553 8.0447  2.956161       12.83350 
1 1 1 -14 9   24 o 160.365 4.5170  3129.66    175.761  3187.70    247.840  3070.95    249.293  161.606 6.3205  158.595 6.4783  3.011139       9.050771 
1 1 1 -14 9   25 o 152.981 4.4083  2848.34    163.634  2760.49    230.792  2937.14    232.039  150.350 6.3263  155.112 6.1653  -4.761353      8.833629 
1 1 1 -14 9   26 o 187.315 4.8335  4274.71    219.686  4155.32    309.988  4395.19    311.384  184.272 6.9330  189.554 6.7702  -5.281693      9.690280 
1 1 1 -14 9   27 o 79.574  4.2528  773.203    81.816   717.331    114.483  831.526    116.967  76.345  6.2345  82.292  5.8970  -5.946770      8.581599 
1 1 1 -14 9   28 o 138.541 4.3770  2339.01    147.135  2252.94    207.316  2426.36    208.853  135.645 6.2989  140.806 6.1130  -5.161804      8.777545 
1 1 1 -14 9   29 o 87.925  4.0818  942.115    87.082   911.592    120.551  975.424    125.930  86.102  5.8041  89.067  5.8598  -2.964920      8.247685 
1 1 1 -14 9   30 o 68.809  4.3840  580.148    72.813   580.037    99.693   580.274    106.600  68.495  6.0611  68.414  6.4997  0.8106995E-01  8.887231 
1 1 1 -14 9   31 o 133.932 4.3554  2190.99    141.539  1990.21    199.497  2394.50    200.844  126.966 6.4974  139.613 5.9288  -12.64724      8.795874 
1 1 1 -14 9   32 o 130.951 4.2961  2096.06    136.505  2065.64    191.990  2127.17    194.124  129.505 6.1098  131.427 6.0874  -1.921860      8.624750 
1 1 1 -14 9   33 o 130.108 4.2905  2071.01    135.447  1907.59    191.125  2235.89    191.982  124.093 6.3690  134.697 5.8741  -10.60352      8.664199 
1 1 1 -14 9   34 o 103.324 5.6972  1320.30    142.281  1362.73    177.505  1244.03    237.962  104.457 7.0445  98.303  10.121  6.154236       12.33135 
1 1 1 -14 9   35 o 83.010  5.6238  854.298    112.605  916.735    139.054  735.359    191.922  85.608  6.7490  74.813  10.892  10.79543       12.81381 
1 1 1 -14 9   36 o 73.607  5.6299  673.337    99.787   645.189    121.741  730.970    174.199  71.540  7.1073  74.987  9.8092  -3.446671      12.11339 
1 1 1 -14 9   37 o 55.652  5.3613  385.809    71.501   385.610    105.731  385.977    97.059   54.709  8.2189  55.009  7.4645  -0.2995644     11.10269 
1 1 1 -14 9   38 o 37.628  7.4534  183.611    65.643   267.491    88.969   83.395     97.248   45.291  8.4053  28.146  10.545  17.14549       13.48478 
1 1 1 -14 9   39 o 44.926  6.3946  256.287    67.740   201.107    93.079   318.424    98.773   38.719  9.8762  49.404  8.5492  -10.68501      13.06246 
1 1 1 -14 9   40 o 39.893  9.5824  213.534    91.592   529.530    183.531  108.732    105.695  61.683  12.686  30.493  11.067  31.18957       16.83524 
1 1 1 -14 9   41 o 45.599  9.5431  278.869    102.196  296.151    195.440  272.365    119.893  45.304  15.138  44.424  11.142  0.8795433      18.79634 
1 1 1 -14 9   42 o 61.643  5.7913  478.243    85.606   370.822    110.685  638.158    135.049  52.892  8.9433  70.177  8.0785  -17.28472      12.05175 
1 1 1 -14 9   43 o 38.414  7.4309  193.926    66.757   221.875    89.359   158.625    100.426  40.418  9.3044  34.145  10.812  6.273216       14.26445 
1 1 1 -14 9   44 o 51.198  5.7931  332.796    70.700   422.250    97.606   234.056    102.548  57.100  7.2054  40.963  10.322  16.13636       12.58786 
1 1 1 -14 9   45 o 44.709  6.6738  259.296    70.182   176.469    98.708   343.973    99.805   35.463  10.631  50.754  8.3981  -15.29072      13.54769 
1 1 1 -14 9   46 o 33.333  6.8530  146.950    53.576   53.406     84.480   209.883    69.293   24.173  9.6152  39.741  7.4600  -15.56833      12.16977 
1 1 1 -14 9   47 o 26.209  9.9519  77.797     87.286   77.797     87.286   0.0000     0.0000   26.209  9.9519  ?       ?       0.000000       9.951935 
1 1 1 -14 9   48 o 30.032  9.8979  122.656    83.650   122.656    83.650   0.0000     0.0000   30.032  9.8979  ?       ?       0.000000       9.897899 
1 1 1 -14 9   49 o 27.993  9.5115  103.210    77.172   114.460    87.283   62.915     165.187  29.346  10.112  29.921  12.799  -0.5747395     16.31141 
1 1 1 -14 9   50 o 14.591  6.9659  -81.6143   68.974   -185.6432  78.346   276.858    145.434  12.792  6.3689  42.632  12.932  -29.84058      14.41513 
1 1 1 -14 9   51 o 27.303  8.8357  99.455     66.789   174.959    85.255   -20.5069   107.463  35.239  9.6757  21.829  9.7905  13.40929       13.76496 
1 1 1 -14 9   52 o 17.145  7.5143  -5.1964    59.799   -7.2370    71.772   -0.5647    108.131  18.569  8.1826  22.745  10.032  -4.176014      12.94601 
1 1 1 -14 9   53 o 26.817  11.028  67.573     115.374  -127.2984  237.221  127.951    132.043  27.461  13.057  31.290  12.147  -3.829008      17.83355 
1 1 1 -14 10  1  o 45.884  4.0724  257.908    44.868   227.757    62.687   289.579    64.248   42.795  6.2191  48.457  5.5654  -5.661861      8.345746 
1 1 1 -14 10  2  o 111.112 3.7391  1500.14    100.806  1542.68    140.607  1455.15    144.598  112.597 5.1466  109.337 5.4505  3.260780       7.496303 
1 1 1 -14 10  3  o 47.557  4.1410  276.991    47.307   270.643    67.189   283.233    66.619   46.748  6.0663  47.872  5.8574  -1.123859      8.432630 
1 1 1 -14 10  4  o 521.591 10.609  33427.45   1342.66  33443.27   1896.39  33411.54   1901.23  518.395 15.077  518.108 15.123  0.2866211      21.35462 
1 1 1 -14 10  5  o 445.980 9.1978  24365.69   995.319  24702.83   1405.53  24026.57   1409.67  446.934 12.961  440.628 13.185  6.305939       18.48858 
1 1 1 -14 10  6  o 67.606  3.7544  557.132    61.345   540.394    86.486   574.079    87.025   66.408  5.4145  68.476  5.2785  -2.067833      7.561710 
1 1 1 -14 10  7  o 125.144 3.9491  1903.56    119.914  1877.61    168.214  1930.37    170.987  124.173 5.5831  125.904 5.5971  -1.731224      7.905546 
1 1 1 -14 10  8  f 142.166 4.1847  2457.28    144.351  2397.55    202.351  2519.18    205.985  140.275 5.9451  143.793 5.9038  -3.518524      8.378515 
1 1 1 -14 10  9  o 168.013 4.4651  3433.18    182.027  3455.77    255.786  3410.00    259.096  168.363 6.2613  167.228 6.3854  1.134888       8.942986 
1 1 1 -14 10  10 o 34.625  7.8357  152.357    64.295   148.639    74.622   163.069    126.676  34.203  8.9045  37.060  12.179  -2.856216      15.08672 
1 1 1 -14 10  11 o 269.030 8.4937  8861.15    554.447  8786.13    758.267  8947.33    812.781  266.800 11.713  268.936 12.455  -2.135834      17.09783 
1 1 1 -14 10  12 o 172.747 6.4415  3639.28    270.000  3699.43    360.070  3562.02    408.100  173.828 8.5370  170.017 9.9358  3.810883       13.09965 
1 1 1 -14 10  13 o 186.498 6.6627  4243.08    301.503  4194.21    403.334  4304.99    453.913  185.005 8.9850  186.941 10.044  -1.936188      13.47622 
1 1 1 -14 10  14 o 220.425 5.1982  5914.42    278.020  5855.84    393.119  5973.03    393.240  218.955 7.3995  221.150 7.3284  -2.194305      10.41432 
1 1 1 -14 10  15 o 224.089 5.3593  6113.97    291.403  5960.00    411.757  6268.46    412.456  220.836 7.6844  226.517 7.5043  -5.680801      10.74080 
1 1 1 -14 10  16 o 315.550 6.7015  12147.62   513.106  11883.42   725.138  12412.56   726.147  311.190 9.6035  318.116 9.4075  -6.925842      13.44355 
1 1 1 -14 10  17 o 292.606 6.3408  10439.67   450.187  9690.18    634.856  11197.75   638.482  281.093 9.3081  302.373 8.7024  -21.28055      12.74258 
1 1 1 -14 10  18 f 140.190 4.4133  2390.24    150.122  2076.24    211.351  2709.97    213.271  130.277 6.7089  149.127 5.8940  -18.85085      8.930194 
1 1 1 -14 10  19 o 110.040 4.2007  1472.42    112.159  1474.73    154.929  1469.87    162.580  109.858 5.8331  109.634 6.1363  0.2236023      8.466317 
1 1 1 -14 10  20 o 178.618 6.8262  3894.66    295.847  3841.76    454.538  3933.54    389.690  176.309 10.675  178.880 9.0071  -2.571152      13.96753 
1 1 1 -14 10  21 o 74.314  6.6501  679.356    118.645  540.724    215.066  740.004    142.249  64.692  14.099  77.416  7.6738  -12.72454      16.05244 
1 1 1 -14 10  22 o 109.298 6.3362  1462.47    167.316  1166.14    278.758  1629.35    209.189  96.299  12.204  115.180 7.5265  -18.88126      14.33818 
1 1 1 -14 10  23 o 193.430 5.4532  4559.79    255.938  4603.19    320.205  4483.01    425.897  194.105 6.7987  191.002 9.1897  3.102768       11.43125 
1 1 1 -14 10  24 o 124.931 4.2784  1899.24    129.692  1873.44    183.322  1925.08    183.502  123.889 6.0984  125.594 6.0215  -1.705276      8.570286 
1 1 1 -14 10  25 o 193.256 5.0562  4551.87    237.096  4560.43    336.071  4543.39    334.542  192.990 7.1768  192.634 7.1574  0.3560181      10.13584 
1 1 1 -14 10  26 o 146.497 4.4250  2613.95    157.291  2765.75    223.842  2465.88    221.071  150.419 6.1330  141.980 6.4171  8.439011       8.876545 
1 1 1 -14 10  27 o 156.049 4.5625  2968.49    172.753  3099.62    245.862  2840.62    242.786  159.099 6.3688  152.261 6.5716  6.837723       9.151409 
1 1 1 -14 10  28 o 20.801  7.2164  47.959     44.489   102.002    56.080   -43.8107   73.078   28.342  7.8731  17.380  7.9067  10.96219       11.15808 
1 1 1 -14 10  29 o 88.102  4.1261  946.595    88.204   960.155    124.170  932.785    125.315  88.317  5.8271  87.012  5.9717  1.304924       8.343664 
1 1 1 -14 10  30 o 190.299 4.9589  4431.41    228.972  4294.47    323.572  4568.77    324.059  186.475 7.1513  192.437 6.9402  -5.962158      9.965323 
1 1 1 -14 10  31 o 123.844 4.2817  1874.40    128.664  1684.70    180.789  2069.10    183.152  116.717 6.4083  129.717 5.8190  -13.00039      8.656033 
1 1 1 -14 10  32 o 53.154  4.8325  349.142    61.646   373.723    82.072   317.321    93.380   54.672  6.3022  49.861  7.9880  4.811077       10.17476 
1 1 1 -14 10  33 f 90.002  4.1627  991.272    90.906   925.543    126.504  1061.46    130.722  86.346  6.0768  92.571  5.8499  -6.224960      8.434999 
1 1 1 -14 10  34 o 52.725  6.2775  349.062    78.730   338.496    92.876   376.041    148.408  51.491  7.6678  52.753  11.880  -1.261936      14.13978 
1 1 1 -14 10  35 o 87.292  5.5827  945.074    117.624  894.521    144.941  1042.59    201.307  84.327  7.1510  89.995  9.3555  -5.667900      11.77552 
1 1 1 -14 10  36 o 32.087  6.6041  132.708    49.702   136.888    65.790   127.150    75.858   32.297  8.3380  31.250  9.3085  1.047565       12.49683 
1 1 1 -14 10  37 o 84.152  4.6501  873.733    94.581   887.237    130.316  858.702    137.488  84.169  6.4295  82.592  6.9245  1.577240       9.449229 
1 1 1 -14 10  38 o 32.954  8.1002  142.831    64.311   163.195    85.939   116.913    96.952   34.998  9.7550  30.840  10.656  4.157780       14.44650 
1 1 1 -14 10  39 o 36.460  7.7631  174.093    66.571   86.587     89.589   281.977    99.475   27.795  10.174  46.109  9.2135  -18.31473      13.72578 
1 1 1 -14 10  40 o 43.159  9.7870  251.247    100.130  97.129     190.662  309.942    117.661  34.292  14.148  47.758  10.445  -13.46573      17.58540 
1 1 1 -14 10  41 o 46.802  9.4047  294.112    103.095  376.239    197.884  263.515    120.781  50.117  15.058  43.470  11.334  6.647217       18.84720 
1 1 1 -14 10  42 o 58.764  5.5830  434.723    78.650   411.778    107.410  461.248    115.483  56.073  8.1318  59.339  8.2434  -3.266689      11.57929 
1 1 1 -14 10  43 o 39.182  7.4250  202.233    68.007   157.547    96.399   246.509    95.956   33.887  10.574  42.421  9.5522  -8.534214      14.24953 
1 1 1 -14 10  44 o 68.311  5.3018  586.976    87.188   537.466    119.596  643.139    127.378  64.015  7.8651  70.262  7.5923  -6.246803      10.93169 
1 1 1 -14 10  45 o 22.934  7.7996  65.285     51.893   -8.3955    87.410   105.389    64.487   20.468  9.0243  28.040  8.6317  -7.572424      12.48778 
1 1 1 -14 10  46 o 29.000  10.122  110.262    87.590   110.262    87.590   0.0000     0.0000   29.000  10.122  ?       ?       0.000000       10.12188 
1 1 1 -14 10  47 o 36.224  10.480  187.764    97.364   187.764    97.364   0.0000     0.0000   36.224  10.480  ?       ?       0.000000       10.48025 
1 1 1 -14 10  48 o 22.833  8.5365  57.811     63.668   48.683     81.403   72.192     102.178  23.467  9.4037  26.659  10.584  -3.191988      14.15794 
1 1 1 -14 10  49 o 75.701  6.7896  741.233    123.386  773.688    145.848  659.534    231.403  76.474  7.9775  64.025  15.134  12.44894       17.10825 
1 1 1 -14 10  50 o 22.154  8.3621  52.707     61.392   60.199     77.190   39.807     101.281  24.046  9.3009  24.480  10.223  -0.4341259     13.82061 
1 1 1 -14 10  51 o 31.510  8.7193  137.529    68.922   77.100     91.292   217.626    105.103  26.246  10.125  38.644  10.794  -12.39874      14.79946 
1 1 1 -14 10  52 o 26.281  10.878  59.858     113.251  101.651    233.126  46.948     129.567  33.655  14.791  26.624  11.361  7.031080       18.65070 
1 1 1 -14 11  1  o 101.421 3.6876  1249.96    90.749   1278.56    127.078  1220.20    129.636  102.499 5.1096  99.974  5.3637  2.524559       7.407934 
1 1 1 -14 11  2  o 98.026  3.6906  1167.67    87.781   1225.24    122.883  1107.67    125.437  100.214 5.0701  95.229  5.4513  4.985229       7.444621 
1 1 1 -14 11  3  o 297.067 6.4265  10759.39   463.227  10769.36   652.595  10749.27   657.637  296.481 9.0716  296.179 9.1510  0.3021851      12.88543 
1 1 1 -14 11  4  f 324.681 6.8523  12862.02   539.829  12833.31   761.086  12891.09   765.803  323.403 9.6990  324.116 9.7376  -0.7126770     13.74377 
1 1 1 -14 11  5  o 130.434 3.9973  2068.07    126.509  2102.57    177.532  2032.47    180.321  131.397 5.5684  129.171 5.7533  2.225571       8.006682 
1 1 1 -14 11  6  o 40.791  4.5576  204.887    44.338   147.425    62.266   263.988    63.149   34.066  7.7125  46.199  5.7584  -12.13346      9.625077 
1 1 1 -14 11  7  o 281.937 6.2649  9691.30    428.578  9611.61    604.628  9771.77    607.584  280.076 8.8971  282.409 8.8667  -2.333435      12.56094 
1 1 1 -14 11  8  o 236.221 5.4675  6795.49    313.382  6754.64    441.679  6836.90    444.714  235.061 7.7439  236.487 7.7501  -1.425507      10.95597 
1 1 1 -14 11  9  o 85.920  5.4840  902.675    113.733  895.472    139.324  917.062    196.904  85.398  6.7796  85.920  9.6095  -0.5219574     11.76034 
1 1 1 -14 11  10 o 150.249 6.1472  2752.02    224.106  2985.40    294.129  2429.01    346.023  156.268 7.7572  140.201 10.243  16.06732       12.84849 
1 1 1 -14 11  11 o 94.592  5.4941  1093.33    125.556  1098.20    156.401  1084.51    210.570  94.617  6.8591  93.569  9.4019  1.047066       11.63798 
1 1 1 -14 11  12 o 249.601 7.9179  7618.08    479.535  7058.06    651.644  8279.54    708.212  239.307 11.223  259.174 11.262  -19.86720      15.89888 
1 1 1 -14 11  13 o 221.180 5.2008  5955.22    279.115  5978.57    394.547  5931.82    394.909  221.240 7.3498  220.366 7.3857  0.8738861      10.41954 
1 1 1 -14 11  14 o 264.143 5.9004  8501.79    378.168  8637.93    534.866  8365.71    534.756  265.685 8.2969  261.429 8.4302  4.256378       11.82821 
1 1 1 -14 11  15 o 237.371 5.3773  6860.73    309.710  6821.75    437.885  6899.75    438.107  236.260 7.6385  237.615 7.5987  -1.355759      10.77437 
1 1 1 -14 11  16 o 191.617 4.8598  4467.92    225.954  4241.06    319.024  4696.27    320.074  186.380 7.0544  196.184 6.7239  -9.804184      9.745525 
1 1 1 -14 11  17 o 96.153  4.0784  1124.06    95.151   1028.39    131.215  1230.16    138.182  91.672  5.9309  100.326 5.6999  -8.654205      8.225832 
1 1 1 -14 11  18 o 245.106 5.5632  7318.19    330.857  6787.31    466.360  7856.16    469.459  235.499 8.1615  253.503 7.6322  -18.00325      11.17409 
1 1 1 -14 11  19 o 221.721 7.6290  6010.90    410.427  5934.78    616.775  6071.39    549.837  218.886 11.655  222.154 10.200  -3.267136      15.48826 
1 1 1 -14 11  20 o 98.415  6.2368  1186.07    148.161  1509.14    261.502  1033.32    179.805  110.364 9.8694  91.509  8.1844  18.85486       12.82145 
1 1 1 -14 11  21 o 218.168 7.7125  5824.49    408.273  5343.05    614.721  6204.47    546.118  207.260 12.278  224.510 10.025  -17.24998      15.85115 
1 1 1 -14 11  22 o 201.919 7.2566  4986.44    355.527  5198.68    546.204  4830.40    468.316  204.816 11.031  198.097 9.7431  6.718979       14.71803 
1 1 1 -14 11  23 o 139.328 4.3257  2362.38    146.239  2433.26    208.952  2294.33    204.740  141.188 6.0993  137.091 6.1550  4.097656       8.665229 
1 1 1 -14 11  24 o 299.779 6.5837  10987.87   478.886  10821.85   678.091  11153.07   676.408  296.299 9.4318  300.883 9.2650  -4.583344      13.22116 
1 1 1 -14 11  25 o 35.424  6.5647  158.357    54.347   162.729    71.459   152.357    83.703   35.671  8.3957  34.604  9.6208  1.066475       12.76905 
1 1 1 -14 11  26 o 176.399 4.6435  3793.72    198.748  4083.30    282.331  3509.24    279.831  182.612 6.3718  169.177 6.8169  13.43520       9.331181 
1 1 1 -14 11  27 o 118.194 4.2438  1702.85    121.706  1528.29    171.600  1879.54    172.642  111.466 6.3711  123.932 5.7412  -12.46525      8.576227 
1 1 1 -14 11  28 o 72.019  4.4844  635.498    77.975   590.589    108.460  683.541    112.180  69.025  6.5545  74.363  6.2758  -5.338760      9.074576 
1 1 1 -14 11  29 o 164.515 4.6316  3308.05    184.886  3240.59    262.883  3374.08    260.076  162.182 6.6803  165.565 6.4739  -3.383820      9.302602 
1 1 1 -14 11  30 o 50.506  5.1106  315.758    61.767   257.660    84.164   383.576    90.933   44.888  8.0218  55.299  6.9292  -10.41132      10.60014 
1 1 1 -14 11  31 o 59.186  4.7071  431.821    67.040   450.399    91.228   410.009    98.849   60.073  6.3551  57.025  7.3124  3.048183       9.688117 
1 1 1 -14 11  32 o 65.406  4.6096  526.996    72.686   609.688    100.763  437.285    104.953  70.026  5.9879  58.775  7.5326  11.25111       9.622621 
1 1 1 -14 11  33 o 42.373  6.9021  228.768    68.520   196.790    80.989   309.303    128.526  38.741  8.8141  47.989  11.236  -9.247814      14.28057 
1 1 1 -14 11  34 o 69.503  5.8227  601.689    97.291   631.897    116.928  533.714    175.400  70.880  6.8856  62.921  11.925  7.958767       13.77024 
1 1 1 -14 11  35 o 49.801  5.0907  308.776    60.649   342.127    82.482   269.520    89.487   51.990  6.6940  45.498  8.4159  6.491425       10.75350 
1 1 1 -14 11  36 o 59.835  5.4764  446.300    78.626   404.446    109.998  490.025    112.430  55.951  8.3587  61.975  7.6383  -6.023930      11.32302 
1 1 1 -14 11  37 o 93.890  4.7432  1088.52    107.709  1064.31    150.320  1114.08    154.408  92.004  6.7814  94.130  6.8064  -2.125496      9.607997 
1 1 1 -14 11  38 o 55.344  5.7385  384.206    75.941   325.598    106.256  445.399    108.574  49.662  9.1552  58.870  7.7925  -9.207973      12.02251 
1 1 1 -14 11  39 o 34.192  10.690  155.791    98.482   263.944    230.988  131.764    108.873  43.911  16.291  32.382  11.286  11.52854       19.81792 
1 1 1 -14 11  40 o 28.790  10.458  97.280     94.400   97.869     217.180  97.143     104.819  35.415  14.891  29.351  10.957  6.064249       18.48773 
1 1 1 -14 11  41 o 61.290  5.5080  472.000    81.037   471.958    111.858  472.045    117.561  60.261  7.8355  60.035  8.2917  0.2255974      11.40819 
1 1 1 -14 11  42 o 20.633  8.2630  32.296     62.812   -44.4324   88.753   109.290    88.907   18.959  8.6593  29.324  10.200  -10.36439      13.37984 
1 1 1 -14 11  43 o 76.255  5.0638  728.279    93.161   739.376    132.038  717.277    131.464  75.597  7.2886  74.392  7.3805  1.205467       10.37282 
1 1 1 -14 11  44 o 43.245  6.9717  244.919    70.667   203.675    96.653   292.291    103.583  37.971  10.251  45.963  9.5977  -7.992443      14.04289 
1 1 1 -14 11  45 o 27.645  9.9324  96.255     84.847   96.255     84.847   0.0000     0.0000   27.645  9.9324  ?       ?       0.000000       9.932351 
1 1 1 -14 11  46 o 38.536  10.518  213.525    101.101  213.525    101.101  0.0000     0.0000   38.536  10.518  ?       ?       0.000000       10.51833 
1 1 1 -14 11  47 o 45.649  6.7788  272.790    72.803   213.139    97.488   348.002    109.468  38.607  10.239  50.176  9.3349  -11.56852      13.85581 
1 1 1 -14 11  48 o 45.067  8.6222  276.998    90.849   270.476    103.529  298.838    189.456  43.749  9.9744  43.068  14.895  0.6810913      17.92582 
1 1 1 -14 11  49 o 14.331  6.8925  -93.2613   70.331   -90.3278   79.581   -103.7250  150.301  15.713  7.4962  22.663  10.660  -6.950372      13.03147 
1 1 1 -14 11  50 o 15.905  7.1654  -21.2635   58.289   20.786     72.661   -97.1766   97.629   20.534  8.6223  17.665  8.3922  2.868689       12.03216 
1 1 1 -14 11  51 o 41.679  7.5395  233.676    73.441   133.559    97.746   363.460    111.290  30.966  10.699  51.026  9.3327  -20.05997      14.19753 
1 1 1 -14 12  1  o 77.915  3.6349  737.736    68.720   736.076    96.293   739.458    98.101   77.595  5.1436  77.764  5.2295  -0.1689453     7.335176 
1 1 1 -14 12  2  o 135.155 4.0611  2220.75    133.181  2237.07    186.904  2203.93    189.823  135.516 5.6841  134.496 5.8167  1.020340       8.132830 
1 1 1 -14 12  3  f 279.807 6.2000  9544.60    420.938  9699.84    592.793  9386.72    597.831  281.421 8.6813  276.774 8.9020  4.646881       12.43426 
1 1 1 -14 12  4  o 118.518 3.9086  1707.43    112.400  1743.19    157.471  1670.29    160.487  119.645 5.4243  117.098 5.6484  2.546936       7.831189 
1 1 1 -14 12  5  o 123.566 3.9339  1856.06    117.947  1800.57    165.375  1913.50    168.266  121.580 5.6059  125.342 5.5327  -3.761421      7.876328 
1 1 1 -14 12  6  o 454.375 9.3396  25329.89   1029.69  25354.97   1454.00  25304.65   1458.40  452.051 13.256  451.560 13.311  0.4901733      18.78547 
1 1 1 -14 12  7  o 132.906 5.6080  2151.76    180.849  1898.27    235.992  2512.46    281.503  124.346 7.8622  143.066 8.1430  -18.71988      11.31906 
1 1 1 -14 12  8  o 34.129  7.3844  147.756    59.375   112.564    69.712   240.725    113.307  30.092  8.9143  43.376  10.806  -13.28380      14.00817 
1 1 1 -14 12  9  o 188.609 6.7663  4341.22    309.654  4390.75    413.233  4277.80    467.628  189.256 8.9988  186.208 10.391  3.047150       13.74620 
1 1 1 -14 12  10 o 61.279  6.0279  462.052    88.469   398.440    104.980  617.920    164.329  56.556  7.8628  70.261  9.9146  -13.70559      12.65397 
1 1 1 -14 12  11 o 217.261 7.3786  5766.36    388.972  5839.51    524.577  5677.02    579.727  218.029 9.9159  214.336 11.186  3.693146       14.94823 
1 1 1 -14 12  12 o 167.550 4.4289  3414.31    180.053  3513.26    253.700  3313.90    255.577  169.763 6.1590  164.846 6.3897  4.917099       8.874810 
1 1 1 -14 12  13 o 147.488 4.2319  2645.08    151.447  2660.52    213.175  2629.34    215.195  147.754 5.9461  146.876 6.0383  0.8787994      8.474525 
1 1 1 -14 12  14 o 113.476 3.9227  1565.28    108.008  1546.45    153.073  1583.95    152.423  112.676 5.5989  114.041 5.5084  -1.365364      7.854280 
1 1 1 -14 12  15 o 79.591  4.0600  772.161    78.146   665.242    109.527  883.026    111.530  73.611  6.1896  84.980  5.4374  -11.36881      8.238743 
1 1 1 -14 12  16 o 124.843 4.1795  1895.21    126.606  1789.50    178.382  2002.50    179.721  121.005 6.0951  128.195 5.7778  -7.190163      8.398380 
1 1 1 -14 12  17 o 141.872 4.3050  2447.92    148.195  2345.16    209.265  2551.30    209.895  138.676 6.2192  144.671 5.9794  -5.994598      8.627357 
1 1 1 -14 12  18 o 160.491 6.4955  3142.94    252.944  2894.56    388.946  3324.98    332.975  152.957 10.544  164.556 8.3669  -11.59946      13.46061 
1 1 1 -14 12  19 o 119.793 6.1382  1754.76    177.817  1558.20    280.231  1887.25    230.067  112.010 10.431  123.975 7.6861  -11.96445      12.95673 
1 1 1 -14 12  20 f 232.635 7.8562  6625.48    443.456  6542.46    661.016  6693.43    597.992  229.545 11.909  232.972 10.579  -3.427063      15.92895 
1 1 1 -14 12  21 o 226.982 7.5169  6305.55    413.996  7304.94    622.403  5512.52    554.432  243.284 10.544  210.965 10.868  32.31946       15.14216 
1 1 1 -14 12  22 o 192.976 4.9494  4536.41    231.749  4350.73    327.920  4721.70    327.566  188.565 7.1671  196.508 6.8700  -7.942398      9.927925 
1 1 1 -14 12  23 o 239.292 5.5776  6986.15    323.847  6661.34    458.500  7309.53    457.479  232.934 8.1123  244.139 7.7227  -11.20514      11.20040 
1 1 1 -14 12  24 o 220.437 5.3783  5929.62    287.668  6027.13    408.593  5833.79    405.078  221.604 7.5989  218.001 7.6580  3.602722       10.78835 
1 1 1 -14 12  25 o 224.153 5.3459  6135.58    290.758  6107.55    412.410  6163.28    409.989  222.892 7.6256  223.937 7.5454  -1.045395      10.72764 
1 1 1 -14 12  26 o 99.919  4.1869  1216.83    101.509  1171.15    143.678  1262.34    143.433  97.591  6.0982  101.385 5.8555  -3.793694      8.454270 
1 1 1 -14 12  27 o 71.922  4.3840  633.509    76.141   500.297    105.046  780.967    110.521  63.396  6.9425  79.633  5.7587  -16.23777      9.020020 
1 1 1 -14 12  28 o 78.176  4.3761  748.642    82.674   731.944    115.591  766.130    118.295  76.912  6.2479  78.699  6.2462  -1.787521      8.834674 
1 1 1 -14 12  29 o 41.016  5.9512  211.053    57.498   210.352    77.727   211.900    85.449   40.420  8.2054  40.412  8.9502  0.8373260E-02  12.14233 
1 1 1 -14 12  30 o 104.260 4.1904  1329.08    106.008  1255.35    150.423  1401.83    149.419  100.688 6.1870  106.547 5.8015  -5.859489      8.481527 
1 1 1 -14 12  31 o 83.413  4.3124  854.097    86.982   855.365    123.520  852.851    122.510  82.969  6.1799  82.859  6.1371  0.1097336      8.709492 
1 1 1 -14 12  32 f 59.899  6.0524  448.189    86.758   466.374    103.012  403.810    160.921  60.788  7.1188  54.491  12.444  6.297474       14.33647 
1 1 1 -14 12  33 o 31.872  8.1866  132.855    63.644   58.531     75.331   318.219    118.965  24.492  9.2584  48.886  10.352  -24.39418      13.88795 
1 1 1 -14 12  34 o 62.696  5.9679  491.614    89.691   478.831    106.402  522.995    166.712  61.425  7.2808  62.380  11.436  -0.9552803     13.55670 
1 1 1 -14 12  35 o 65.929  5.2760  540.187    83.694   600.179    116.012  475.077    120.860  68.902  7.0379  60.681  8.4368  8.221367       10.98688 
1 1 1 -14 12  36 o 15.658  7.1475  -35.8966   60.363   -91.2779   86.538   16.582     84.240   16.934  8.0021  22.094  9.2810  -5.160187      12.25445 
1 1 1 -14 12  37 o 40.776  7.5167  215.805    71.631   302.733    98.288   117.338    104.609  48.001  8.7617  31.144  11.046  16.85758       14.09861 
1 1 1 -14 12  38 o 49.307  8.9015  320.870    102.578  257.203    229.305  336.798    114.694  43.553  16.217  50.158  9.7752  -6.605389      18.93493 
1 1 1 -14 12  39 o 59.453  8.4249  461.572    118.134  292.383    259.237  505.914    132.715  45.353  17.168  61.937  9.1023  -16.58398      19.43149 
1 1 1 -14 12  40 o 30.200  8.8332  121.505    68.831   131.289    90.097   107.789    106.673  31.521  10.267  30.126  11.090  1.394564       15.11290 
1 1 1 -14 12  41 o 50.251  6.1701  322.235    73.652   336.420    103.137  307.474    105.212  50.169  8.7932  47.590  9.4446  2.578136       12.90432 
1 1 1 -14 12  42 o 23.124  8.4698  60.223     62.105   69.136     84.884   49.956     91.103   25.567  9.7886  24.591  9.9149  0.9751720      13.93276 
1 1 1 -14 12  43 o 54.991  6.1049  387.060    80.084   420.737    112.150  352.023    114.394  56.065  8.5116  50.518  9.6847  5.546909       12.89345 
1 1 1 -14 12  44 o 74.844  7.5391  734.190    135.047  734.190    135.047  0.0000     0.0000   74.844  7.5391  ?       ?       0.000000       7.539069 
1 1 1 -14 12  45 o 73.425  7.5513  708.944    132.616  708.944    132.616  0.0000     0.0000   73.425  7.5513  ?       ?       0.000000       7.551317 
1 1 1 -14 12  46 o 58.572  6.1959  441.684    86.719   350.726    112.122  577.100    136.806  50.198  9.5544  65.202  8.8781  -15.00438      13.04250 
1 1 1 -14 12  47 o 26.552  9.6167  87.550     79.742   146.521    89.951   -128.9030  172.332  32.307  10.233  23.687  11.223  8.620522       15.18768 
1 1 1 -14 12  48 o 30.944  10.068  132.316    86.659   140.580    99.391   106.114    176.975  31.849  10.794  32.324  13.507  -0.4751205     17.29037 
1 1 1 -14 12  49 o 17.397  7.6831  -9.4656    63.615   -5.6961    82.852   -14.8798   99.294   19.973  8.7969  21.231  9.4743  -1.257998      12.92858 
1 1 1 -14 12  50 f 52.644  6.1570  358.722    77.162   351.800    100.716  368.557    120.062  50.781  8.4725  50.885  10.081  -0.1039352     13.16819 
1 1 1 -14 12  51 o 25.796  10.829  52.767     114.557  76.326     250.535  46.540     128.811  33.033  14.871  26.378  11.293  6.655107       18.67316 
1 1 1 -14 13  1  o 103.890 3.7094  1311.78    93.506   1321.73    130.968  1301.43    133.545  104.194 5.1803  103.242 5.3493  0.9521484      7.446509 
1 1 1 -14 13  2  o 114.539 3.8705  1594.74    107.567  1635.21    150.733  1552.75    153.552  115.879 5.3609  112.900 5.6053  2.979469       7.756213 
1 1 1 -14 13  3  o 196.437 4.9162  4696.28    234.324  4779.56    329.493  4611.05    333.307  197.874 6.8626  194.318 7.0691  3.556000       9.852344 
1 1 1 -14 13  4  o 221.533 5.2835  5975.87    284.001  5842.27    399.327  6112.61    403.990  218.631 7.5275  223.650 7.4445  -5.019363      10.58702 
1 1 1 -14 13  5  o 162.595 4.3613  3215.39    172.064  3314.72    241.542  3113.06    245.168  164.898 6.0369  159.766 6.3243  5.131790       8.743066 
1 1 1 -14 13  6  o 210.067 7.1129  5389.23    362.552  5172.25    488.391  5655.57    541.104  205.184 9.8098  214.391 10.402  -9.206375      14.29791 
1 1 1 -14 13  7  o 197.928 6.9528  4782.79    333.910  4884.35    449.013  4657.15    499.444  199.531 9.2744  194.217 10.639  5.313446       14.11371 
1 1 1 -14 13  8  o 85.733  5.3333  898.443    110.396  793.584    137.933  1085.33    184.143  80.299  7.1543  93.831  8.1696  -13.53155      10.85939 
1 1 1 -14 13  9  o 211.838 7.2458  5481.29    372.437  5594.14    503.007  5344.36    554.103  213.434 9.7129  207.978 11.019  5.455933       14.68906 
1 1 1 -14 13  10 o 50.105  4.2717  307.495    51.437   323.070    71.143   290.435    74.455   51.164  5.8350  48.368  6.5094  2.795753       8.741858 
1 1 1 -14 13  11 o 172.806 4.5453  3632.51    190.583  3685.71    268.592  3578.57    270.467  173.844 6.3675  171.279 6.5080  2.565048       9.104901 
1 1 1 -14 13  12 o 96.245  3.8855  1126.01    90.739   1152.18    127.602  1099.24    129.058  97.116  5.4369  94.827  5.6344  2.288933       7.829774 
1 1 1 -14 13  13 o 204.598 4.9859  5094.93    247.519  5159.19    349.176  5030.03    350.920  205.562 7.0006  202.949 7.1262  2.612656       9.989570 
1 1 1 -14 13  14 o 232.100 5.4195  6560.81    305.210  6491.26    431.273  6630.60    431.991  230.413 7.7140  232.889 7.6447  -2.476028      10.86040 
1 1 1 -14 13  15 o 293.744 6.4495  10526.32   459.683  10703.60   650.340  10349.31   649.841  295.411 9.0730  290.428 9.2215  4.982239       12.93661 
1 1 1 -14 13  16 f 77.448  4.2038  731.583    78.702   723.360    108.417  740.743    114.428  76.817  5.8610  77.704  6.1186  -0.8872528     8.472813 
1 1 1 -14 13  17 o 20.542  8.6281  7.2691     72.791   -217.7747  129.422  111.394    88.034   18.764  9.1035  30.776  10.155  -12.01131      13.63775 
1 1 1 -14 13  18 o 162.288 6.6178  3215.38    260.593  2802.61    402.893  3512.27    341.692  150.266 11.129  169.307 8.3175  -19.04109      13.89389 
1 1 1 -14 13  19 o 159.610 6.5671  3110.70    254.331  2859.44    391.493  3294.17    334.540  151.868 10.692  163.693 8.4516  -11.82524      13.62921 
1 1 1 -14 13  20 o 127.507 6.0663  1983.94    187.682  2266.19    303.021  1808.27    239.055  135.447 9.2760  121.178 8.1782  14.26916       12.36637 
1 1 1 -14 13  21 o 164.859 4.5882  3309.06    183.536  3035.96    256.582  3595.20    262.642  157.591 6.7101  171.568 6.3091  -13.97676      9.210336 
1 1 1 -14 13  22 o 246.383 5.7081  7408.92    341.243  6928.42    481.521  7893.72    483.667  237.451 8.3575  253.640 7.8590  -16.18864      11.47220 
1 1 1 -14 13  23 o 153.187 4.5188  2858.79    167.963  2665.26    234.538  3062.54    240.650  147.575 6.5499  158.250 6.2673  -10.67468      9.065338 
1 1 1 -14 13  24 o 126.067 4.2263  1936.09    129.278  1907.78    182.535  1964.58    183.120  124.878 6.0242  126.735 5.9549  -1.857552      8.470623 
1 1 1 -14 13  25 o 81.889  4.2714  819.674    84.578   859.732    118.123  777.531    121.158  83.603  5.8601  79.389  6.3426  4.213615       8.635300 
1 1 1 -14 13  26 o 147.702 4.5143  2663.05    161.785  2698.21    230.032  2628.64    227.586  148.217 6.3963  146.289 6.4116  1.927612       9.056552 
1 1 1 -14 13  27 o 89.582  4.2068  979.565    91.441   1030.30    128.683  927.820    129.960  91.438  5.8305  86.657  6.2222  4.780594       8.527012 
1 1 1 -14 13  28 o 63.792  4.5270  500.134    69.617   432.801    97.226   570.977    99.728   58.786  6.9508  67.839  6.1246  -9.053593      9.264183 
1 1 1 -14 13  29 o 52.858  4.8263  345.233    61.217   258.988    84.620   439.929    88.670   44.932  8.0577  59.394  6.2463  -14.46226      10.19528 
1 1 1 -14 13  30 o 21.508  7.3523  53.398     46.114   89.845     59.863   0.2067     72.318   26.768  8.3292  19.727  8.4543  7.041239       11.86803 
1 1 1 -14 13  31 o 59.053  6.1808  436.280    87.251   450.164    105.709  406.602    154.547  59.590  7.4754  54.883  11.945  4.706966       14.09098 
1 1 1 -14 13  32 o 95.899  5.7493  1141.38    133.163  1141.64    163.457  1140.86    229.622  95.345  7.1167  93.636  10.275  1.708961       12.49933 
1 1 1 -14 13  33 f 82.659  5.7059  849.698    113.738  773.308    137.514  1015.13    202.363  78.214  7.3315  88.523  9.5738  -10.30889      12.05858 
1 1 1 -14 13  34 o 39.130  7.1175  197.351    65.089   205.238    92.549   189.632    91.557   39.177  9.7693  37.650  9.8932  1.527367       13.90375 
1 1 1 -14 13  35 o 111.859 4.5789  1539.90    124.278  1568.13    173.724  1510.32    177.859  111.944 6.4227  109.700 6.7143  2.243828       9.291529 
1 1 1 -14 13  36 o 56.372  5.7940  398.733    78.123   431.170    108.046  363.194    113.093  57.861  7.9026  52.485  9.2168  5.375660       12.14083 
1 1 1 -14 13  37 o 95.570  6.9747  1155.19    160.621  1033.54    308.724  1200.34    188.080  83.871  15.749  96.764  8.0847  -12.89293      17.70266 
1 1 1 -14 13  38 o 97.614  7.0085  1208.91    164.893  823.591    308.760  1362.66    195.034  72.269  17.739  103.095 7.8558  -30.82619      19.40085 
1 1 1 -14 13  39 o 35.743  10.639  175.274    99.126   72.977     224.840  199.955    110.439  34.532  14.856  37.932  11.216  -3.400597      18.61427 
1 1 1 -14 13  40 o 36.234  7.8424  174.735    66.948   166.228    93.754   183.585    95.631   34.748  10.348  36.403  10.341  -1.654827      14.62951 
1 1 1 -14 13  41 o 64.996  5.5025  532.786    85.963   413.930    118.564  664.510    124.818  55.409  9.1374  71.664  7.2792  -16.25539      11.68242 
1 1 1 -14 13  42 o 30.321  8.7532  125.063    67.986   184.816    92.601   55.197     100.132  36.261  10.133  25.544  10.361  10.71698       14.49222 
1 1 1 -14 13  43 o 77.251  4.9434  749.191    92.173   834.142    134.430  673.818    126.626  80.232  6.9747  71.791  7.3740  8.441040       10.15002 
1 1 1 -14 13  44 o 42.011  9.7484  248.843    97.453   248.843    97.453   0.0000     0.0000   42.011  9.7484  ?       ?       0.000000       9.748409 
1 1 1 -14 13  45 o 22.945  8.7610  56.114     67.881   -29.5143   87.274   187.247    108.002  19.230  8.7060  35.871  11.192  -16.64051      14.17929 
1 1 1 -14 13  46 o 33.120  10.261  155.416    90.969   145.063    97.580   224.142    251.416  32.167  10.695  39.238  16.222  -7.071377      19.43014 
1 1 1 -14 13  47 o 48.408  8.8943  321.393    100.621  338.170    109.635  231.766    253.402  49.293  9.5109  39.647  16.328  9.646717       18.89601 
1 1 1 -14 13  48 o 32.133  8.6748  143.005    69.214   81.946     89.232   235.227    109.663  26.516  10.064  40.093  10.959  -13.57667      14.87905 
1 1 1 -14 13  49 o 40.740  7.8907  225.173    75.184   230.461    99.707   218.204    114.466  39.924  10.242  38.244  11.444  1.680534       15.35829 
1 1 1 -14 13  50 o 21.302  9.6832  -30.0119   109.328  -127.1796  232.747  -2.5028    123.840  27.107  12.901  23.748  10.590  3.359562       16.69120 
1 1 1 -14 14  1  o 131.060 4.0012  2088.35    127.242  2020.38    178.364  2158.79    181.573  128.768 5.7087  133.114 5.6217  -4.346436      8.012006 
1 1 1 -14 14  2  o 247.508 5.5773  7462.94    334.949  7508.67    471.572  7416.38    475.837  247.764 7.8441  246.206 7.9652  1.558517       11.17920 
1 1 1 -14 14  3  o 101.345 3.7383  1248.39    91.927   1240.01    128.458  1257.18    131.607  100.776 5.2717  101.462 5.3648  -0.6857605     7.521471 
1 1 1 -14 14  4  o 272.508 8.5139  9096.00    562.951  8772.90    770.339  9466.33    824.704  266.409 11.917  276.576 12.289  -10.16635      17.11835 
1 1 1 -14 14  5  o 271.392 8.5694  9022.50    564.304  9006.23    772.287  9041.14    826.566  269.991 11.789  270.163 12.609  -0.1717834     17.26169 
1 1 1 -14 14  6  o 217.229 7.2766  5764.85    383.539  5536.75    517.380  6043.13    571.456  212.222 10.047  221.541 10.631  -9.318665      14.62751 
1 1 1 -14 14  7  o 124.535 5.5857  1889.27    168.783  1743.26    218.920  2103.25    265.024  119.181 7.6100  130.801 8.3948  -11.62003      11.33072 
1 1 1 -14 14  8  o 58.203  5.6651  416.572    78.990   367.668    96.504   515.849    137.499  54.346  7.5199  64.249  9.0725  -9.903004      11.78387 
1 1 1 -14 14  9  o 204.310 4.9844  5080.71    247.095  4987.32    348.017  5175.65    350.892  202.086 7.0974  205.880 7.0242  -3.793945      9.985595 
1 1 1 -14 14  10 o 106.477 3.8342  1378.11    99.060   1407.78    139.644  1348.07    140.543  107.519 5.3527  105.057 5.5329  2.462143       7.698364 
1 1 1 -14 14  11 o 248.182 5.6774  7504.35    341.890  7292.76    481.918  7718.75    485.109  244.115 8.1361  251.190 7.9593  -7.075180      11.38182 
1 1 1 -14 14  12 o 274.145 6.0182  9161.74    400.326  8817.76    564.975  9508.59    567.325  268.257 8.6799  278.658 8.3907  -10.40060      12.07244 
1 1 1 -14 14  13 o 286.753 6.3113  10029.17   439.127  10063.57   620.655  9994.70    621.384  286.483 8.9287  285.487 8.9704  0.9961548      12.65658 
1 1 1 -14 14  14 o 158.372 4.3933  3050.93    168.825  3020.92    237.871  3081.39    239.648  157.383 6.2290  158.953 6.2136  -1.569656      8.798253 
1 1 1 -14 14  15 o 177.783 4.7166  3846.39    203.461  3910.62    287.715  3782.13    287.759  178.993 6.6246  176.009 6.7380  2.983704       9.449131 
1 1 1 -14 14  16 o 76.562  6.1486  719.510    113.259  984.468    200.306  594.990    137.317  89.043  9.4138  69.203  8.3463  19.84064       12.58093 
1 1 1 -14 14  17 o 269.399 8.7677  8904.53    573.117  8445.10    843.633  9298.28    781.006  260.098 13.413  274.077 11.744  -13.97876      17.82802 
1 1 1 -14 14  18 o 80.090  6.3391  787.794    122.180  954.020    200.223  689.174    154.223  87.563  9.5802  74.450  8.7015  13.11320       12.94199 
1 1 1 -14 14  19 f 88.611  4.5578  958.296    97.663   947.520    121.984  977.538    162.998  87.955  5.7474  89.029  7.6188  -1.074402      9.543573 
1 1 1 -14 14  20 o 268.540 5.9852  8803.07    389.987  8358.78    550.433  9250.90    552.624  260.783 8.6988  274.507 8.2968  -13.72403      12.02109 
1 1 1 -14 14  21 o 71.939  4.4236  632.527    76.842   522.546    102.951  770.868    115.464  65.034  6.6163  79.213  6.0532  -14.17876      8.967566 
1 1 1 -14 14  22 o 104.545 4.2355  1330.92    107.442  1169.26    147.203  1515.23    157.178  97.582  6.2498  111.213 5.8452  -13.63026      8.557295 
1 1 1 -14 14  23 o 207.661 5.1188  5263.86    257.923  4894.94    362.373  5642.67    367.192  199.560 7.4837  214.415 7.0579  -14.85408      10.28687 
1 1 1 -14 14  24 o 192.360 4.9784  4518.94    232.366  4339.31    326.416  4703.48    330.858  187.838 7.1618  195.631 6.9701  -7.793060      9.993715 
1 1 1 -14 14  25 o 176.526 4.8136  3807.32    206.179  3814.50    292.240  3800.19    290.927  176.062 6.8408  175.738 6.8227  0.3240204      9.661577 
1 1 1 -14 14  26 o 33.313  6.4527  141.082    50.274   168.535    66.672   104.900    76.540   36.219  7.8158  29.282  9.4569  6.937267       12.26867 
1 1 1 -14 14  27 o 109.473 4.2486  1464.34    112.853  1525.92    158.577  1401.15    160.638  111.236 5.8964  106.472 6.2453  4.764038       8.589037 
1 1 1 -14 14  28 o 65.189  4.4519  522.488    69.997   496.587    95.414   552.672    103.002  63.120  6.3147  66.581  6.4569  -3.461720      9.031393 
1 1 1 -14 14  29 o 44.302  5.4454  245.083    57.302   190.408    75.654   318.659    87.763   38.255  8.3821  50.062  7.4522  -11.80720      11.21577 
1 1 1 -14 14  30 o 112.355 5.9079  1564.88    160.494  1651.89    200.398  1409.26    268.015  114.844 7.2284  104.067 10.770  10.77739       12.97081 
1 1 1 -14 14  31 o 40.881  7.3436  215.021    70.167   221.084    81.057   196.895    140.148  41.153  8.4017  38.754  12.813  2.398941       15.32235 
1 1 1 -14 14  32 o 63.358  5.9598  502.077    90.544   487.789    108.366  535.118    164.794  61.964  7.3509  63.231  11.149  -1.266655      13.35385 
1 1 1 -14 14  33 f 85.566  4.5986  903.288    95.126   880.361    140.060  922.920    129.606  83.578  6.9701  85.892  6.2620  -2.313751      9.369854 
1 1 1 -14 14  34 o 54.019  5.5914  365.289    72.227   391.196    103.813  340.983    100.553  55.079  8.0020  51.212  8.3822  3.867672       11.58848 
1 1 1 -14 14  35 o 20.232  8.1529  26.998     61.565   115.590    90.071   -50.6831   84.342   30.364  10.276  18.318  8.3945  12.04581       13.26883 
1 1 1 -14 14  36 o 39.820  9.6187  213.647    91.891   317.208    218.720  191.449    101.262  46.702  16.012  37.518  10.636  9.184155       19.22238 
1 1 1 -14 14  37 o 29.713  10.447  108.617    93.386   -25.8860   213.925  140.282    103.799  30.735  13.797  32.811  11.032  -2.076063      17.66512 
1 1 1 -14 14  38 o 36.494  10.685  183.359    100.669  112.118    240.962  198.423    110.802  36.740  15.579  37.798  11.248  -1.057571      19.21507 
1 1 1 -14 14  39 o 42.401  7.0030  233.895    69.534   149.237    97.304   322.240    99.401   33.173  10.658  49.157  8.6495  -15.98437      13.72579 
1 1 1 -14 14  40 o 44.044  7.2860  254.297    75.143   244.246    105.669  264.579    106.878  41.694  10.462  43.507  10.286  -1.813263      14.67180 
1 1 1 -14 14  41 o 54.678  6.0819  382.504    79.322   317.237    108.399  457.740    116.383  47.920  9.6563  58.573  8.4319  -10.65251      12.81960 
1 1 1 -14 14  42 o 78.835  4.9181  779.903    93.607   836.434    134.809  727.269    130.078  80.331  6.9859  74.674  7.2713  5.656685       10.08339 
1 1 1 -14 14  43 o 37.046  10.247  196.535    95.213   196.535    95.213   0.0000     0.0000   37.046  10.247  ?       ?       0.000000       10.24718 
1 1 1 -14 14  44 o 25.045  9.7735  66.031     85.818   66.031     85.818   0.0000     0.0000   25.045  9.7735  ?       ?       0.000000       9.773495 
1 1 1 -14 14  45 o 43.149  7.6791  249.828    77.451   234.310    98.472   275.002    125.417  40.474  10.068  42.876  11.720  -2.401840      15.45098 
1 1 1 -14 14  46 o 65.199  7.6086  562.091    118.104  591.341    129.816  421.587    284.521  66.444  8.2281  47.521  17.986  18.92230       19.77884 
1 1 1 -14 14  47 o 17.731  8.0677  -32.3061   76.125   -39.9936   80.196   37.691     241.993  17.863  8.1858  32.368  14.589  -14.50463      16.72893 
1 1 1 -14 14  48 o 85.553  5.1572  925.122    106.555  617.714    142.219  1318.52    160.885  67.184  8.9467  100.931 6.6058  -33.74756      11.12117 
1 1 1 -14 14  49 o 55.700  8.8130  428.427    115.144  241.994    267.623  470.777    127.554  39.017  16.474  57.979  9.3878  -18.96197      18.96128 
1 1 1 -14 15  1  o 137.117 4.0797  2286.05    135.732  2317.72    190.129  2253.13    193.832  137.919 5.6815  135.964 5.8754  1.955826       8.173092 
1 1 1 -14 15  2  o 116.307 5.5637  1647.94    157.011  1712.82    202.975  1551.28    247.753  118.211 7.1096  112.082 9.1909  6.128448       11.61978 
1 1 1 -14 15  3  o 185.075 6.5875  4179.65    295.823  3930.66    395.381  4496.30    445.867  178.774 9.1454  191.093 9.6472  -12.31911      13.29317 
1 1 1 -14 15  4  o 143.598 5.9128  2513.37    206.017  2457.21    269.870  2591.82    318.945  141.514 7.8909  145.085 9.1062  -3.570847      12.04945 
1 1 1 -14 15  5  o 301.491 9.2523  11153.62   676.846  10919.23   930.128  11417.45   986.792  296.719 12.919  303.155 13.415  -6.435425      18.62448 
1 1 1 -14 15  6  o 87.294  5.4745  931.785    115.369  981.811    144.779  844.756    190.959  89.443  6.7202  82.374  9.7427  7.068970       11.83561 
1 1 1 -14 15  7  o 248.072 5.6501  7497.77    340.093  7530.80    478.935  7464.17    483.019  248.101 7.9558  246.974 8.0603  1.127243       11.32530 
1 1 1 -14 15  8  o 188.516 4.7410  4324.43    216.863  4420.98    304.853  4225.51    308.563  190.342 6.6007  186.047 6.8353  4.294312       9.502133 
1 1 1 -14 15  9  o 173.214 4.5274  3649.97    190.281  3719.37    267.845  3579.25    270.370  174.627 6.3213  171.279 6.5056  3.347977       9.070975 
1 1 1 -14 15  10 o 255.427 5.8058  7951.18    359.826  8073.54    507.700  7827.69    510.049  256.823 8.1472  252.837 8.3140  3.986786       11.64041 
1 1 1 -14 15  11 o 223.377 5.3210  6076.79    288.401  5867.76    405.956  6289.78    409.791  219.058 7.6376  226.843 7.4451  -7.785034      10.66598 
1 1 1 -14 15  12 o 183.875 4.7969  4114.82    214.017  4041.31    302.233  4188.76    303.101  181.928 6.8466  185.235 6.7437  -3.306839      9.610109 
1 1 1 -14 15  13 o 53.230  4.7798  347.607    61.077   331.725    83.122   366.244    90.045   51.689  6.7920  54.320  6.9943  -2.630653      9.749449 
1 1 1 -14 15  14 o 214.068 7.4411  5603.32    386.503  5532.33    579.762  5660.10    518.543  211.327 11.348  214.485 9.9638  -3.158035      15.10150 
1 1 1 -14 15  15 o 200.973 7.0454  4935.67    343.565  5429.48    519.652  4552.20    457.929  209.960 10.200  192.106 9.8573  17.85426       14.18490 
1 1 1 -14 15  16 o 266.015 8.6563  8682.27    558.733  8362.33    824.229  8954.30    760.009  258.866 13.166  268.934 11.647  -10.06824      17.57792 
1 1 1 -14 15  17 o 11.115  5.5616  -176.0041  63.082   -452.0948  134.281  -97.8179   71.458   15.041  7.6006  14.775  7.0639  0.2666607      10.37628 
1 1 1 -14 15  18 o 110.273 4.0940  1479.38    109.542  1333.31    154.395  1627.42    155.441  104.331 6.1258  115.525 5.5453  -11.19356      8.262942 
1 1 1 -14 15  19 o 139.150 4.3107  2356.84    145.545  2319.74    206.697  2393.32    204.978  137.811 6.1814  140.002 6.0341  -2.190796      8.638257 
1 1 1 -14 15  20 o 148.927 4.4571  2701.09    161.060  2667.13    227.670  2735.11    227.876  147.697 6.3529  149.581 6.2785  -1.883865      8.931900 
1 1 1 -14 15  21 o 77.405  4.4832  732.408    83.841   664.398    112.274  818.145    126.059  73.418  6.3655  81.516  6.4254  -8.097893      9.044639 
1 1 1 -14 15  22 o 166.479 4.6348  3379.77    187.222  3122.23    261.968  3648.64    267.668  159.548 6.7669  172.576 6.3922  -13.02734      9.308709 
1 1 1 -14 15  23 o 37.674  6.1863  178.411    54.587   196.322    69.494   149.555    88.207   39.284  7.5650  34.288  9.9911  4.996826       12.53207 
1 1 1 -14 15  24 o 23.582  7.6454  66.710     49.989   88.418     61.295   23.597     86.382   26.825  8.4416  23.181  9.5384  3.643599       12.73739 
1 1 1 -14 15  25 o 67.102  4.5451  552.735    73.565   525.691    99.110   585.915    109.780  65.064  6.3592  68.645  6.6754  -3.581131      9.219522 
1 1 1 -14 15  26 o 43.604  5.3535  236.690    55.450   245.044    73.057   225.337    85.165   43.979  7.0870  41.743  8.6909  2.236427       11.21415 
1 1 1 -14 15  27 o 79.006  4.3122  765.848    82.352   758.587    113.586  773.895    119.572  78.212  6.0319  78.926  6.2961  -0.7138901     8.719224 
1 1 1 -14 15  28 o 136.029 4.4609  2267.41    147.238  2151.54    207.330  2385.29    209.134  131.783 6.4840  138.877 6.2062  -7.094818      8.975478 
1 1 1 -14 15  29 o 56.073  6.3106  394.422    84.367   390.276    101.971  403.419    150.206  55.301  7.8174  54.752  11.664  0.5489197      14.04108 
1 1 1 -14 15  30 o 39.864  7.3549  204.781    68.521   212.096    80.582   185.685    130.201  40.249  8.5169  37.675  12.345  2.574032       14.99813 
1 1 1 -14 15  31 o 119.502 5.9315  1771.79    171.992  1729.81    216.341  1843.89    283.531  116.994 7.6633  119.254 9.8877  -2.259895      12.50975 
1 1 1 -14 15  32 o 61.164  4.8166  463.685    70.903   346.013    97.458   596.003    103.345  51.764  8.0187  68.926  6.2472  -17.16227      10.16499 
1 1 1 -14 15  33 o 23.949  8.4268  66.032     60.771   39.029     87.771   90.898     84.224   23.978  9.7093  27.881  9.9087  -3.903156      13.87271 
1 1 1 -14 15  34 o 12.667  6.0658  -71.4909   53.163   -82.3978   74.778   -60.3436   75.597   15.624  7.3997  16.681  7.7512  -1.056850      10.71618 
1 1 1 -14 15  35 o 31.996  8.1104  135.434    63.049   178.611    87.385   88.553     91.057   36.396  9.7139  27.970  10.254  8.426510       14.12463 
1 1 1 -14 15  36 o 32.707  9.9971  142.868    86.677   140.997    178.141  143.448    99.213   35.672  14.034  32.968  10.775  2.704041       17.69351 
1 1 1 -14 15  37 o 32.406  10.176  140.697    89.123   329.051    193.765  90.157     100.370  46.798  15.040  28.447  10.702  18.35037       18.45874 
1 1 1 -14 15  38 o 78.570  5.1970  772.275    98.517   640.808    134.836  922.834    144.294  70.049  8.0813  84.864  7.0719  -14.81491      10.73862 
1 1 1 -14 15  39 o 24.327  8.6281  70.806     63.830   -23.9352   86.094   186.444    95.117   19.582  8.7744  36.526  10.292  -16.94316      13.52437 
1 1 1 -14 15  40 o 14.632  6.8207  -48.3062   59.276   5.2337     79.530   -115.2192  88.910   20.402  8.8060  16.125  7.7537  4.277021       11.73312 
1 1 1 -14 15  41 o 38.586  6.8466  196.083    61.754   194.941    99.248   196.804    78.885   36.907  10.553  37.810  8.7687  -0.9034424     13.72037 
1 1 1 -14 15  42 f 34.138  10.263  165.994    91.894   165.994    91.894   0.0000     0.0000   34.138  10.263  ?       ?       0.000000       10.26258 
1 1 1 -14 15  43 o 23.630  9.5149  49.624     83.779   49.624     83.779   0.0000     0.0000   23.630  9.5149  ?       ?       0.000000       9.514866 
1 1 1 -14 15  44 o 46.890  7.4228  292.714    81.641   235.607    105.870  376.491    128.231  40.203  10.674  51.094  10.687  -10.89069      15.10458 
1 1 1 -14 15  45 o 20.424  9.0359  -7.9956    88.373   -37.0912   94.644   190.003    246.893  19.670  8.9677  37.632  15.853  -17.96123      18.21337 
1 1 1 -14 15  46 o 50.910  9.3042  359.750    110.699  322.967    120.998  548.634    274.190  47.160  10.806  53.859  17.928  -6.699745      20.93275 
1 1 1 -14 15  47 o 58.234  6.2928  439.213    87.504   329.775    111.698  613.079    140.789  48.208  9.8811  66.965  8.8841  -18.75732      13.28774 
1 1 1 -14 15  48 o 30.679  8.9403  132.255    70.625   98.720     87.168   196.338    120.495  27.566  10.044  36.026  11.880  -8.459427      15.55650 
1 1 1 -14 16  1  f 248.671 8.0768  7568.49    487.337  7653.91    664.302  7468.96    717.123  249.143 10.989  245.723 12.028  3.420151       16.29177 
1 1 1 -14 16  2  o 184.465 6.6609  4153.04    298.132  4154.26    399.272  4151.51    448.202  184.052 8.9405  183.452 10.108  0.6001587      13.49465 
1 1 1 -14 16  3  o 24.303  7.9753  69.243     54.331   71.768     63.543   62.381     104.771  25.253  8.6306  27.975  10.832  -2.721710      13.84959 
1 1 1 -14 16  4  o 45.878  6.3404  261.530    68.694   199.453    81.536   413.369    127.520  39.584  8.7243  57.288  9.5072  -17.70372      12.90350 
1 1 1 -14 16  5  o 149.632 6.1099  2730.08    221.833  2855.70    291.196  2556.36    342.432  152.580 7.8924  143.887 9.8678  8.693298       12.63584 
1 1 1 -14 16  6  o 165.293 4.4897  3323.77    180.067  3604.03    253.072  3036.40    256.264  171.927 6.0664  157.723 6.6962  14.20462       9.035542 
1 1 1 -14 16  7  o 206.411 5.0291  5186.68    251.874  5197.74    354.118  5175.36    358.327  206.285 7.0749  205.820 7.1751  0.4645844      10.07649 
1 1 1 -14 16  8  o 147.104 4.2205  2631.70    150.644  2669.76    211.582  2592.58    214.535  147.993 5.8922  145.818 6.0635  2.175232       8.454799 
1 1 1 -14 16  9  o 80.925  3.8390  796.116    75.381   806.029    105.520  785.784    107.725  81.171  5.3882  80.116  5.5763  1.054443       7.754247 
1 1 1 -14 16  10 o 117.573 4.1338  1681.05    117.930  1628.65    166.456  1733.86    167.103  115.426 5.9637  119.271 5.7741  -3.844940      8.300987 
1 1 1 -14 16  11 o 185.832 4.5960  4202.08    207.235  4383.05    293.147  4021.29    293.001  189.531 6.3744  181.495 6.6533  8.036194       9.214126 
1 1 1 -14 16  12 f 81.091  4.1729  801.858    81.828   785.797    114.043  818.902    117.478  80.065  5.9122  81.735  5.9647  -1.670715      8.398318 
1 1 1 -14 16  13 o 327.119 10.031  13173.37   796.184  13152.95   1156.87  13191.75   1097.43  324.171 14.708  325.177 13.909  -1.005737      20.24290 
1 1 1 -14 16  14 o 239.047 7.7211  6994.78    447.846  8036.65    665.270  6131.37    605.622  255.173 10.745  222.430 11.258  32.74280       15.56258 
1 1 1 -14 16  15 o 229.876 7.7187  6470.36    430.529  6787.27    643.539  6213.61    579.243  234.202 11.325  224.343 10.641  9.858780       15.53955 
1 1 1 -14 16  16 o 152.505 6.4074  2840.49    237.099  2865.47    374.765  2823.82    306.159  152.074 10.216  151.482 8.3619  0.5925293      13.20160 
1 1 1 -14 16  17 f 94.872  4.1393  1095.19    95.287   1121.35    133.994  1068.43    135.530  95.691  5.7983  93.364  6.0146  2.327148       8.354426 
1 1 1 -14 16  18 o 123.184 4.2235  1846.99    126.237  1873.48    178.318  1820.36    178.735  123.868 5.9330  122.086 6.0337  1.782066       8.461970 
1 1 1 -14 16  19 f 117.085 4.1200  1668.78    117.046  1724.94    166.004  1613.26    165.056  118.848 5.7566  114.760 5.9479  4.087891       8.277438 
1 1 1 -14 16  20 o 109.194 4.1052  1451.90    108.767  1385.06    154.721  1517.21    152.933  106.258 6.0258  111.293 5.6822  -5.034737      8.282380 
1 1 1 -14 16  21 o 193.771 4.9815  4583.21    234.215  4646.15    331.510  4520.48    330.952  194.511 7.0240  191.834 7.1101  2.677216       9.994536 
1 1 1 -14 16  22 o 31.875  7.0757  129.793    53.298   151.055    70.101   100.664    82.050   34.277  8.4762  29.228  9.8081  5.048388       12.96323 
1 1 1 -14 16  23 o 125.924 4.3281  1935.27    132.244  1909.05    183.457  1963.63    190.801  124.713 6.0626  126.445 6.2189  -1.732185      8.685062 
1 1 1 -14 16  24 o 125.637 4.3161  1927.95    131.576  1771.53    182.509  2097.22    189.861  119.821 6.2996  130.632 5.9900  -10.81037      8.692779 
1 1 1 -14 16  25 o 79.961  4.3754  784.045    84.568   737.456    112.732  844.003    127.890  77.157  6.0706  82.471  6.4422  -5.314056      8.851742 
1 1 1 -14 16  26 o 97.309  4.2466  1158.33    100.267  1123.41    137.934  1197.45    146.009  95.264  5.9979  98.314  6.1517  -3.050102      8.591743 
1 1 1 -14 16  27 o 76.988  4.2937  728.050    79.889   748.453    110.262  705.502    115.911  77.645  5.8966  75.215  6.4125  2.430504       8.711493 
1 1 1 -14 16  28 f 53.932  6.3431  365.445    81.421   371.505    96.136   350.069    153.136  54.011  7.5414  50.594  12.538  3.416752       14.63120 
1 1 1 -14 16  29 o 41.703  7.5620  224.405    73.701   334.122    88.308   -27.4447   133.793  51.184  7.3188  24.966  11.078  26.21785       13.27743 
1 1 1 -14 16  30 o 15.360  6.8101  -15.0554   50.467   -64.3036   57.633   146.858    104.501  13.774  6.5157  33.754  11.060  -19.97975      12.83652 
1 1 1 -14 16  31 o 87.092  4.3522  932.182    91.971   907.827    127.241  958.828    133.090  85.179  6.1989  87.503  6.3108  -2.323814      8.846040 
1 1 1 -14 16  32 o 103.055 4.4683  1306.79    111.731  1308.34    157.196  1305.21    158.839  102.198 6.3709  102.036 6.4488  0.1620026      9.065104 
1 1 1 -14 16  33 o 79.950  4.7135  790.938    91.033   785.495    128.132  796.485    129.358  78.871  6.7608  79.416  6.7779  -0.5454712     9.573325 
1 1 1 -14 16  34 o ?       ?       -243.0429  49.350   -324.5592  72.646   -173.1901  67.249   ?       ?       11.672  5.8257  0.000000       5.825705 
1 1 1 -14 16  35 o 23.732  9.3696  47.957     79.666   -75.3205   167.440  84.030     90.575   25.728  11.804  27.473  10.199  -1.745155      15.59997 
1 1 1 -14 16  36 o 19.770  8.7499  -15.8676   82.945   305.576    176.948  -106.3876  93.900   45.424  14.349  17.192  8.1856  28.23248       16.51923 
1 1 1 -14 16  37 o 21.047  8.1943  39.902     60.217   118.757    81.866   -53.0562   88.886   30.002  9.7872  18.590  8.5554  11.41191       12.99938 
1 1 1 -14 16  38 o 64.267  5.5366  521.341    85.494   516.941    117.640  526.265    124.463  62.774  7.8983  63.084  8.3354  -0.3096886     11.48311 
1 1 1 -14 16  39 o 47.482  6.4672  291.498    72.571   280.699    100.522  303.253    104.878  45.082  9.4897  46.872  9.5459  -1.789227      13.46030 
1 1 1 -14 16  40 o 32.077  8.7441  141.751    69.923   143.047    96.323   140.308    101.665  32.108  10.623  31.939  10.917  0.1687965      15.23241 
1 1 1 -14 16  41 o 32.163  10.302  145.529    90.966   145.529    90.966   0.0000     0.0000   32.163  10.302  ?       ?       0.000000       10.30161 
1 1 1 -14 16  42 o 52.381  8.6616  374.814    106.240  374.814    106.240  0.0000     0.0000   52.381  8.6616  ?       ?       0.000000       8.661554 
1 1 1 -14 16  43 o 19.030  8.1364  9.6538     66.700   56.192     87.411   -55.2163   103.201  24.346  9.7485  19.784  9.1452  4.561918       13.36663 
1 1 1 -14 16  44 o 32.744  10.626  152.910    96.548   101.730    102.583  549.865    285.691  28.610  10.807  53.124  18.295  -24.51369      21.24837 
1 1 1 -14 16  45 o 71.811  7.5113  681.272    128.943  605.559    142.712  1017.80    300.874  66.455  9.0887  77.263  16.548  -10.80779      18.87946 
1 1 1 -14 16  46 o 30.246  9.0545  127.495    71.642   111.613    93.173   150.466    112.054  28.997  10.409  32.566  11.444  -3.569578      15.46981 
1 1 1 -14 16  47 o 26.736  9.2528  94.941     73.121   -4.8699    92.526   260.960    119.331  20.874  9.2399  41.496  11.469  -20.62182      14.72815 
1 1 1 -14 16  48 o 31.185  12.240  131.386    135.199  0.0000     0.0000   131.386    135.199  ?       ?       31.185  12.240  0.000000       12.23967 
1 1 1 -14 17  1  o 368.091 10.915  16708.00   974.883  16293.05   1351.26  17158.44   1407.87  360.582 15.444  369.847 15.688  -9.264557      22.01479 
1 1 1 -14 17  2  o 91.806  5.4271  1030.24    120.356  1088.19    153.266  937.016    194.389  94.174  6.7522  86.873  9.3703  7.301476       11.54963 
1 1 1 -14 17  3  o 134.553 5.7748  2206.56    188.536  2137.22    246.343  2304.59    292.927  131.963 7.7272  136.806 8.8724  -4.842834      11.76561 
1 1 1 -14 17  4  o 174.787 4.5476  3716.99    192.863  3686.30    270.836  3748.55    274.705  173.818 6.4217  175.273 6.4593  -1.455429      9.108299 
1 1 1 -14 17  5  o 113.576 3.9490  1568.36    108.827  1706.69    152.594  1425.18    155.250  118.375 5.3127  107.958 5.9497  10.41714       7.976399 
1 1 1 -14 17  6  o 109.233 3.8621  1450.58    102.361  1456.20    143.768  1444.80    145.774  109.334 5.4193  108.756 5.5425  0.5786057      7.751662 
1 1 1 -14 17  7  o 42.421  4.5961  221.515    46.551   185.020    65.685   258.339    65.982   38.278  7.3393  45.626  6.1138  -7.347797      9.552116 
1 1 1 -14 17  8  o 119.140 4.0943  1726.16    118.359  1623.76    164.498  1836.08    170.430  115.257 5.9019  122.737 5.7228  -7.479881      8.220845 
1 1 1 -14 17  9  o 206.778 5.8444  5212.69    293.232  5612.94    489.401  4988.52    366.254  213.736 9.4367  201.971 7.4736  11.76483       12.03770 
1 1 1 -14 17  10 f 137.573 4.2160  2302.08    140.732  2329.52    199.001  2274.62    199.051  138.216 5.9338  136.570 6.0068  1.646729       8.443439 
1 1 1 -14 17  11 o 93.996  4.0662  1074.51    92.740   1053.41    131.008  1095.70    131.300  92.766  5.8503  94.632  5.7454  -1.865471      8.199735 
1 1 1 -14 17  12 o 228.906 7.7227  6414.24    428.936  6612.27    639.546  6252.33    578.284  231.199 11.400  225.117 10.587  6.082260       15.55804 
1 1 1 -14 17  13 o 244.137 7.9840  7302.66    472.950  7780.11    701.767  6905.34    640.173  250.656 11.539  236.297 11.165  14.35921       16.05628 
1 1 1 -14 17  14 o 40.359  9.3205  208.236    89.430   217.443    174.961  204.979    104.049  42.742  14.323  40.030  10.560  2.711826       17.79462 
1 1 1 -14 17  15 o 135.841 6.2185  2253.30    204.967  2447.41    333.013  2134.92    260.064  140.566 9.8255  131.669 8.1806  8.897202       12.78530 
1 1 1 -14 17  16 f 80.903  4.2468  798.796    83.074   773.454    115.036  826.417    120.095  79.366  6.0184  82.044  6.0760  -2.677742      8.552083 
1 1 1 -14 17  17 o 112.555 4.1645  1542.06    113.734  1541.17    161.210  1542.94    160.480  112.177 5.9440  112.247 5.9131  -0.6983948E-01 8.384284 
1 1 1 -14 17  18 o 31.551  6.7734  126.518    50.305   147.909    69.172   102.503    73.290   34.006  8.4263  29.055  9.2405  4.950581       12.50552 
1 1 1 -14 17  19 o 174.661 4.7859  3720.39    202.825  3801.62    287.311  3639.70    286.367  176.112 6.7236  172.287 6.8503  3.824646       9.598558 
1 1 1 -14 17  20 o 54.965  4.7961  371.454    63.324   333.818    87.443   412.956    91.824   51.642  7.1722  57.638  6.6901  -5.996853      9.808023 
1 1 1 -14 17  21 o 74.110  4.2499  671.994    76.103   688.130    108.063  656.115    107.194  74.687  6.0140  72.896  6.1170  1.790840       8.578206 
1 1 1 -14 17  22 o 20.959  7.5094  46.381     48.468   45.333     63.148   47.883     75.613   22.363  8.4712  23.866  9.2125  -1.503025      12.51523 
1 1 1 -14 17  23 o 52.971  5.0585  346.703    64.227   273.700    86.547   436.187    95.820   46.337  7.9860  59.083  6.8085  -12.74542      10.49439 
1 1 1 -14 17  24 o 77.002  4.2978  727.136    79.979   761.060    110.086  689.215    116.392  78.439  5.8257  74.444  6.5091  3.995377       8.735381 
1 1 1 -14 17  25 o 54.273  4.8279  364.031    62.915   364.320    84.244   363.668    94.604   53.878  6.5809  53.574  7.4818  0.3038902      9.964185 
1 1 1 -14 17  26 o 86.556  4.3069  917.736    90.455   920.935    123.611  914.047    132.719  86.139  5.9506  85.653  6.4329  0.4861298      8.763144 
1 1 1 -14 17  27 o 69.482  5.8247  601.016    97.293   639.893    118.531  520.726    170.339  71.340  6.9352  62.307  11.697  9.033398       13.59814 
1 1 1 -14 17  28 o 49.096  6.9262  306.476    80.219   406.470    95.047   58.880     149.563  56.612  7.0737  30.378  12.531  26.23386       14.39001 
1 1 1 -14 17  29 o 29.223  8.2462  111.386    61.018   182.560    70.863   -92.7189   120.002  37.336  8.0584  20.915  9.7343  16.42155       12.63707 
1 1 1 -14 17  30 o 50.686  5.1572  320.550    62.543   348.372    83.646   285.274    94.187   52.374  6.7384  46.649  8.6393  5.724556       10.95644 
1 1 1 -14 17  31 o 45.055  6.1871  257.383    65.853   250.525    92.786   264.343    93.479   43.448  9.0933  44.719  8.9276  -1.271755      12.74324 
1 1 1 -14 17  32 o 61.263  5.2845  468.177    77.785   409.632    108.986  528.962    111.052  56.179  8.2402  64.412  7.2304  -8.232918      10.96260 
1 1 1 -14 17  33 o 54.116  5.9040  369.147    76.267   421.009    109.661  320.563    106.140  56.919  8.1748  49.083  9.2515  7.836327       12.34575 
1 1 1 -14 17  34 o 82.246  6.8843  859.227    136.122  503.821    248.104  1012.28    162.815  56.703  16.822  88.875  7.6238  -32.17244      18.46852 
1 1 1 -14 17  35 o 49.435  9.0060  326.566    104.046  378.566    199.516  307.141    121.940  49.839  15.153  46.981  10.907  2.857922       18.67008 
1 1 1 -14 17  36 o 56.138  5.5298  397.639    74.345   419.254    105.322  376.173    104.960  56.587  7.8850  53.300  8.3934  3.286499       11.51617 
1 1 1 -14 17  37 o 50.010  5.9540  319.180    70.829   264.277    101.057  372.194    99.302   43.706  9.7742  53.102  7.9517  -9.395187      12.60017 
1 1 1 -14 17  38 o 57.076  5.8637  415.234    80.051   371.176    112.276  460.788    114.166  52.168  9.2064  58.866  8.2170  -6.697815      12.34011 
1 1 1 -14 17  39 o 18.222  7.7942  6.5656     61.254   -25.1838   81.669   47.393     92.611   18.840  8.4851  24.296  9.9225  -5.456221      13.05578 
1 1 1 -14 17  40 o 49.922  8.9504  342.702    104.434  342.702    104.434  0.0000     0.0000   49.922  8.9504  ?       ?       0.000000       8.950403 
1 1 1 -14 17  41 o 59.040  8.0145  467.883    111.844  467.883    111.844  0.0000     0.0000   59.040  8.0145  ?       ?       0.000000       8.014507 
1 1 1 -14 17  42 o 62.463  6.2580  504.570    93.570   534.921    115.268  445.926    160.227  63.400  7.6474  54.019  12.476  9.380783       14.63339 
1 1 1 -14 17  43 o 66.377  7.5906  584.996    120.056  568.248    135.832  644.791    256.660  64.386  8.9354  59.878  16.918  4.507950       19.13253 
1 1 1 -14 17  44 o 48.529  9.8705  333.807    112.269  299.898    122.776  506.854    277.359  44.960  11.275  51.170  18.003  -6.209255      21.24205 
1 1 1 -14 17  45 o 19.282  8.1696  14.492     66.176   -20.0453   81.223   82.687     114.134  18.917  8.4962  27.758  11.131  -8.840721      14.00274 
1 1 1 -14 17  46 o 29.437  9.2366  121.194    73.444   103.265    93.225   150.528    119.245  28.151  10.367  32.455  11.759  -4.304247      15.67655 
1 1 1 -14 17  47 o 31.204  11.661  137.408    118.771  -6.9635    241.262  183.589    136.451  30.018  13.914  34.611  12.573  -4.593534      18.75281 
1 1 1 -14 18  1  o 190.229 6.9231  4419.93    319.551  4731.38    427.770  4026.68    480.667  196.367 8.9779  180.317 11.039  16.05058       14.22917 
1 1 1 -14 18  2  o 117.870 3.8942  1689.17    111.373  1626.48    155.392  1755.39    159.708  115.535 5.5431  120.032 5.4836  -4.496567      7.797149 
1 1 1 -14 18  3  o 117.980 3.9202  1692.37    112.222  1663.62    156.687  1722.66    160.806  116.848 5.5265  118.898 5.5739  -2.050735      7.849252 
1 1 1 -14 18  4  o 130.707 4.0885  2077.62    129.666  2128.31    181.863  2025.21    184.928  132.147 5.6718  128.880 5.9136  3.266342       8.193910 
1 1 1 -14 18  5  o 7.3224  3.6645  -77.0398   27.427   -77.4386   42.390   -76.7526   35.971   10.526  5.1299  9.2350  4.5466  1.290990       6.854742 
1 1 1 -14 18  6  o 145.755 4.2799  2584.23    151.363  3055.69    212.833  2101.73    215.308  158.353 5.5392  131.010 6.7965  27.34265       8.767866 
1 1 1 -14 18  7  o 146.868 4.2725  2623.88    152.254  2636.35    213.586  2610.99    217.098  147.029 5.9870  146.303 6.1156  0.7255859      8.558286 
1 1 1 -14 18  8  o 121.773 4.1128  1803.52    121.521  1810.73    170.647  1796.10    173.094  121.869 5.7709  121.365 5.8779  0.5042343      8.237280 
1 1 1 -14 18  9  o 141.627 4.2700  2440.14    146.736  2331.71    206.045  2551.73    209.019  138.243 6.1426  144.643 5.9556  -6.399536      8.555739 
1 1 1 -14 18  10 o 161.413 6.3595  3180.45    249.070  3228.67    378.493  3143.62    330.785  161.699 9.6916  159.857 8.5591  1.841949       12.93002 
1 1 1 -14 18  11 o 209.644 7.1419  5374.69    363.293  6439.60    548.255  4541.08    485.074  228.647 9.8822  191.558 10.476  37.08870       14.40146 
1 1 1 -14 18  12 o 314.659 9.6008  12190.77   733.010  12935.58   1068.47  11528.56   1007.48  321.702 13.688  303.713 13.671  17.98865       19.34603 
1 1 1 -14 18  13 o 56.242  7.3481  393.608    97.879   263.578    197.453  435.969    112.700  46.422  15.202  59.096  8.0707  -12.67424      17.21193 
1 1 1 -14 18  14 f 222.784 6.1309  6061.27    331.415  5920.88    412.774  6315.94    555.958  219.761 7.7410  226.135 10.132  -6.374207      12.75097 
1 1 1 -14 18  15 o 136.078 4.2862  2254.21    141.523  2205.63    200.249  2302.68    200.038  134.363 6.1422  137.309 6.0041  -2.945389      8.589319 
1 1 1 -14 18  16 o 160.691 4.5813  3145.77    178.626  3040.49    251.774  3252.48    253.466  157.629 6.5828  163.069 6.4060  -5.439560      9.185279 
1 1 1 -14 18  17 o 191.846 4.9613  4488.99    230.949  4490.77    326.723  4487.22    326.499  191.372 7.0362  191.297 7.0341  0.7513428E-01  9.949225 
1 1 1 -14 18  18 o 138.103 4.4006  2324.59    147.463  2307.35    208.702  2341.77    208.385  137.265 6.2662  138.297 6.2100  -1.031799      8.822087 
1 1 1 -14 18  19 o 62.796  4.4737  483.372    67.720   530.139    94.792   434.623    96.779   65.515  6.0307  59.095  6.8781  6.419941       9.147502 
1 1 1 -14 18  20 o 36.651  5.9641  168.836    51.216   156.433    70.343   182.830    74.715   34.856  8.4132  37.707  8.3832  -2.851742      11.87689 
1 1 1 -14 18  21 o 60.215  4.5635  445.512    66.180   463.556    93.593   427.468    93.592   61.064  6.4125  58.545  6.7096  2.519096       9.281092 
1 1 1 -14 18  22 o 83.319  4.2186  850.135    85.009   814.341    119.288  887.069    121.175  81.127  6.1047  84.736  5.9310  -3.609009      8.511359 
1 1 1 -14 18  23 o 107.496 4.2676  1412.97    111.311  1449.07    153.950  1373.42    161.130  108.328 5.8790  105.305 6.3356  3.023003       8.643062 
1 1 1 -14 18  24 o 42.735  5.6708  228.744    57.349   182.089    77.615   284.845    85.110   37.348  8.7225  47.227  7.6921  -9.878288      11.62974 
1 1 1 -14 18  25 o 31.259  7.2101  126.491    53.571   80.203     69.920   192.288    83.362   26.192  9.0490  38.244  9.1130  -12.05119      12.84258 
1 1 1 -14 18  26 o 20.204  8.1477  25.603     61.534   -26.7896   66.287   352.197    165.498  17.133  7.6864  50.394  13.330  -33.26120      15.38692 
1 1 1 -14 18  27 o 61.241  6.6194  472.593    96.796   463.834    109.580  503.697    206.504  60.291  7.6638  59.572  14.437  0.7189560      16.34532 
1 1 1 -14 18  28 o 26.404  8.3859  87.927     60.377   59.495     68.764   183.616    126.151  23.937  8.8868  37.231  12.149  -13.29394      15.05268 
1 1 1 -14 18  29 o 86.011  4.3349  911.749    90.179   882.565    127.579  940.890    127.485  83.891  6.3139  86.726  6.0970  -2.835579      8.777159 
1 1 1 -14 18  30 o 78.661  4.5956  764.867    87.332   771.375    123.671  758.393    123.343  78.248  6.5747  77.564  6.6171  0.6838226      9.328065 
1 1 1 -14 18  31 o 99.838  4.9843  1232.47    120.742  1191.07    156.563  1293.22    189.670  97.218  6.6776  100.629 7.8297  -3.411446      10.29049 
1 1 1 -14 18  32 o 18.929  7.6482  22.918     54.334   41.532     80.765   7.5293     73.436   23.370  9.3660  20.125  8.5692  3.244574       12.69462 
1 1 1 -14 18  33 f 43.852  9.0143  257.375    92.709   55.085     188.311  322.093    106.512  32.030  13.682  49.058  9.2880  -17.02874      16.53694 
1 1 1 -14 18  34 o 57.535  8.2045  433.827    111.292  245.746    213.946  503.602    130.311  41.804  15.645  61.633  8.9774  -19.82879      18.03734 
1 1 1 -14 18  35 o 57.134  5.7881  413.387    79.133   417.145    112.503  409.708    111.327  56.078  8.5376  55.572  8.5285  0.5059624      12.06761 
1 1 1 -14 18  36 o 77.536  5.0188  752.776    93.914   665.100    132.099  842.379    133.543  71.343  7.7560  80.975  6.8614  -9.632004      10.35541 
1 1 1 -14 18  37 o 38.134  7.5277  193.922    67.180   141.036    92.709   252.398    97.484   32.003  10.414  42.565  9.6600  -10.56218      14.20444 
1 1 1 -14 18  38 o 38.986  7.5051  203.297    68.418   265.432    93.470   131.583    100.418  43.839  9.0857  31.131  10.839  12.70804       14.14360 
1 1 1 -14 18  39 o 26.829  7.7957  97.308     53.768   67.721     87.013   115.584    68.386   25.228  9.8423  29.011  8.8819  -3.783192      13.25742 
1 1 1 -14 18  40 o 35.518  10.651  183.984    99.080   183.984    99.080   0.0000     0.0000   35.518  10.651  ?       ?       0.000000       10.65147 
1 1 1 -14 18  41 o 39.303  8.1938  212.083    75.609   149.350    96.634   311.111    121.412  32.309  10.638  45.877  11.040  -13.56831      15.33153 
1 1 1 -14 18  42 o 40.845  10.397  243.113    103.311  288.770    115.795  64.957     228.736  44.284  10.860  32.288  14.396  11.99523       18.03298 
1 1 1 -14 18  43 o 73.033  7.3369  703.782    128.257  700.997    145.622  713.416    270.823  71.921  8.5096  62.602  17.268  9.319370       19.25121 
1 1 1 -14 18  44 o 27.379  9.3363  100.439    74.358   73.374     95.704   141.660    118.112  26.058  10.275  31.916  11.682  -5.858187      15.55791 
1 1 1 -14 18  45 o 52.299  6.7507  360.203    83.666   360.169    106.579  360.256    135.057  50.855  8.9647  48.810  11.578  2.045288       14.64336 
1 1 1 -14 18  46 o 24.542  10.312  46.124     104.054  -327.4315  228.017  144.378    116.940  22.911  11.311  31.664  11.619  -8.753002      16.21519 
1 1 1 -14 19  1  f 101.436 3.7967  1250.93    93.448   1227.92    130.624  1275.06    133.741  100.249 5.3898  102.158 5.4148  -1.908485      7.640068 
1 1 1 -14 19  2  o 242.634 5.5598  7174.62    327.324  7221.31    460.286  7126.84    465.572  242.890 7.8101  241.256 7.9532  1.633530       11.14680 
1 1 1 -14 19  3  o 199.634 4.9155  4852.27    238.105  4890.30    334.560  4813.24    338.945  200.072 6.8917  198.460 7.0387  1.612289       9.850811 
1 1 1 -14 19  4  o 39.804  4.9419  195.849    46.702   181.520    66.052   210.174    66.042   37.880  7.4519  40.930  6.8951  -3.049763      10.15250 
1 1 1 -14 19  5  o 116.486 3.9313  1650.00    111.114  1554.16    155.507  1749.97    158.824  112.766 5.7019  119.834 5.4622  -7.067970      7.896039 
1 1 1 -14 19  6  o 170.487 4.6133  3537.63    190.841  3390.19    268.264  3688.69    271.546  166.611 6.6358  173.825 6.4382  -7.214020      9.245812 
1 1 1 -14 19  7  o 260.448 5.9529  8274.27    376.198  7950.78    529.772  8603.32    534.305  254.567 8.5768  264.897 8.3128  -10.33000      11.94419 
1 1 1 -14 19  8  o 84.909  4.9564  880.977    101.670  874.511    197.780  883.299    118.531  83.701  9.9322  84.911  5.7876  -1.210480      11.49545 
1 1 1 -14 19  9  o 243.753 8.0375  7282.46    475.374  7224.37    699.356  7332.35    648.125  241.300 11.945  243.520 10.969  -2.220779      16.21702 
1 1 1 -14 19  10 o 93.208  5.8681  1064.04    132.036  1134.51    217.190  1022.73    166.295  95.552  9.4934  91.080  7.5940  4.472069       12.15706 
1 1 1 -14 19  11 o 108.937 5.9423  1452.56    156.479  1267.18    252.222  1568.56    199.517  100.760 10.469  112.966 7.3183  -12.20564      12.77350 
1 1 1 -14 19  12 o 203.725 7.2550  5081.84    358.629  5113.42    541.057  5057.10    478.958  202.861 11.034  202.483 9.7486  0.3778839      14.72331 
1 1 1 -14 19  13 o 89.861  4.1673  982.800    90.864   1046.94    129.360  920.337    127.660  92.431  5.7973  86.588  6.1156  5.842667       8.426640 
1 1 1 -14 19  14 o 66.087  4.4831  534.372    71.463   525.077    100.161  544.009    101.991  65.219  6.4122  66.396  6.4105  -1.176422      9.067046 
1 1 1 -14 19  15 o 159.279 4.5187  3091.09    174.637  3012.23    246.361  3170.74    247.590  156.883 6.4719  160.986 6.3384  -4.103394      9.058755 
1 1 1 -14 19  16 o 187.377 4.9502  4283.38    225.061  4160.59    318.458  4405.91    318.110  184.122 7.1282  189.536 6.9171  -5.413940      9.932643 
1 1 1 -14 19  17 o 72.892  4.3676  649.999    76.891   646.100    107.034  654.157    110.533  72.377  6.1531  72.798  6.3203  -0.4204407     8.820815 
1 1 1 -14 19  18 o 57.383  4.7755  404.789    65.887   390.186    92.242   420.000    94.144   55.918  6.9482  58.076  6.8101  -2.157661      9.729121 
1 1 1 -14 19  19 o 48.254  5.0171  287.745    57.883   360.809    80.587   209.880    83.193   53.845  6.2864  40.361  8.7474  13.48406       10.77200 
1 1 1 -14 19  20 o 73.506  4.2534  661.919    75.537   675.234    105.949  648.155    107.724  73.904  5.9589  72.342  6.1969  1.562279       8.597102 
1 1 1 -14 19  21 o 90.839  4.1751  1008.13    92.024   1095.71    130.424  921.297    129.860  94.247  5.7305  86.254  6.2472  7.993469       8.477401 
1 1 1 -14 19  22 o 53.384  4.8788  352.263    62.498   357.819    86.726   346.260    90.144   53.337  6.8603  52.334  7.2974  1.002388       10.01577 
1 1 1 -14 19  23 o 77.699  4.4037  741.844    82.682   757.393    113.286  724.122    120.949  78.085  6.0258  76.160  6.6106  1.925056       8.944868 
1 1 1 -14 19  24 o 28.665  7.1269  106.410    49.359   122.561    64.488   83.564     76.697   30.689  8.4105  26.931  9.4675  3.758343       12.66372 
1 1 1 -14 19  25 o 27.770  8.7541  97.481     65.890   82.915     70.676   194.231    182.145  26.443  9.1000  39.714  14.511  -13.27032      17.12847 
1 1 1 -14 19  26 o 68.471  6.2033  587.422    101.942  596.620    116.562  557.499    210.238  68.679  7.0970  62.836  14.132  5.843742       15.81387 
1 1 1 -14 19  27 o 92.570  6.1517  1071.21    137.387  1013.18    161.047  1226.36    263.312  89.382  7.4950  95.691  11.576  -6.309074      13.79055 
1 1 1 -14 19  28 o 69.710  4.4769  600.512    75.324   578.961    106.004  622.492    107.052  67.752  6.5289  70.347  6.3398  -2.595016      9.100550 
1 1 1 -14 19  29 o 128.988 4.5676  2050.35    142.956  2134.16    203.536  1968.75    200.833  130.611 6.4224  125.162 6.6367  5.448166       9.235415 
1 1 1 -14 19  30 o 58.194  5.2427  422.913    73.232   381.194    102.732  466.015    104.421  54.186  8.0590  60.350  7.2778  -6.163708      10.85883 
1 1 1 -14 19  31 o 81.514  4.7210  823.654    92.975   882.160    132.649  767.156    130.353  83.539  6.5978  77.679  6.9908  5.860184       9.612626 
1 1 1 -14 19  32 f 18.243  8.1568  -23.2312   73.974   -133.0516  190.058  -3.6243    80.306   25.736  12.067  20.184  8.7802  5.551775       14.92332 
1 1 1 -14 19  33 o 42.506  9.5149  246.057    95.688   466.311    207.533  186.592    107.834  55.176  15.074  36.664  11.139  18.51272       18.74279 
1 1 1 -14 19  34 o 22.293  8.3807  51.962     61.532   -5.1393    85.525   113.236    88.595   20.573  9.0025  29.619  10.189  -9.046078      13.59615 
1 1 1 -14 19  35 o 57.274  5.5847  415.536    76.624   455.040    110.373  378.786    106.457  58.755  7.9459  53.214  8.5333  5.541088       11.65993 
1 1 1 -14 19  36 o 49.381  6.0826  313.252    71.341   257.262    102.424  366.011    99.424   42.743  10.046  52.397  8.0800  -9.654587      12.89192 
1 1 1 -14 19  37 o 107.144 4.7006  1433.63    122.205  1671.78    173.719  1200.33    171.943  114.276 6.2893  95.765  7.4585  18.51147       9.756267 
1 1 1 -14 19  38 o 12.422  5.8575  -46.1461   45.908   18.980     80.515   -77.5183   55.882   21.177  8.9940  12.697  6.1156  8.480410       10.87620 
1 1 1 -14 19  39 o 24.939  10.086  58.280     94.580   58.280     94.580   0.0000     0.0000   24.939  10.086  ?       ?       0.000000       10.08572 
1 1 1 -14 19  40 o 41.786  10.189  253.342    102.370  253.342    102.370  0.0000     0.0000   41.786  10.189  ?       ?       0.000000       10.18857 
1 1 1 -14 19  41 o 42.208  7.9326  242.587    78.259   264.017    100.924  210.270    123.936  42.860  9.9035  37.160  12.037  5.700386       15.58766 
1 1 1 -14 19  42 o 34.182  10.773  170.594    99.783   148.677    110.999  262.893    227.784  32.319  11.387  39.927  15.818  -7.608353      19.49030 
1 1 1 -14 19  43 o 27.676  10.107  99.070     88.346   95.583     96.377   117.414    221.051  27.717  10.473  33.692  14.612  -5.975616      17.97751 
1 1 1 -14 19  44 o 49.527  6.9554  325.261    81.280   315.202    106.862  339.067    125.199  46.960  9.6996  47.709  11.035  -0.7495651     14.69186 
1 1 1 -14 19  45 o 24.897  9.1702  77.690     72.945   79.597     92.014   74.465     119.674  26.019  10.129  27.135  11.203  -1.116373      15.10348 
1 1 1 -14 20  1  o 117.816 3.9327  1687.96    112.423  1853.61    157.046  1513.86    161.008  123.349 5.2472  111.244 5.9870  12.10435       7.960990 
1 1 1 -14 20  2  o 92.737  3.7768  1045.64    84.984   1125.53    119.090  962.742    121.312  95.990  5.1317  88.686  5.6671  7.304459       7.645260 
1 1 1 -14 20  3  o 113.865 4.0185  1576.87    111.024  1658.69    155.928  1492.72    158.118  116.655 5.5088  110.469 5.9205  6.185608       8.086992 
1 1 1 -14 20  4  o 94.563  3.9775  1087.53    91.264   1030.05    127.522  1147.89    130.669  91.728  5.7587  96.877  5.5825  -5.149361      8.020422 
1 1 1 -14 20  5  o 121.622 4.0639  1799.25    119.927  1802.02    168.331  1796.39    170.903  121.563 5.7069  121.362 5.8037  0.2008438      8.139482 
1 1 1 -14 20  6  o 240.900 5.6390  7076.36    329.613  6874.56    463.783  7282.33    468.539  236.812 8.0714  243.781 7.9210  -6.968735      11.30882 
1 1 1 -14 20  7  o 33.688  8.8390  144.494    73.155   119.404    127.673  156.758    89.260   33.724  12.175  35.205  9.9875  -1.480759      15.74776 
1 1 1 -14 20  8  o 211.305 7.4097  5466.50    379.906  5099.71    564.149  5770.85    513.896  202.487 11.530  216.378 9.7881  -13.89131      15.12448 
1 1 1 -14 20  9  o 27.386  9.4468  84.030     76.188   136.612    136.156  60.062     91.926   35.429  12.598  26.591  10.185  8.838802       16.19989 
1 1 1 -14 20  10 o 57.125  6.8945  404.878    93.632   308.643    165.605  450.096    113.518  48.887  13.511  60.061  7.9875  -11.17437      15.69541 
1 1 1 -14 20  11 o 135.309 4.7674  2230.53    156.520  2175.06    195.203  2330.41    261.936  133.448 6.0285  137.589 7.8787  -4.141281      9.920554 
1 1 1 -14 20  12 o 239.804 5.6602  7020.16    329.348  6952.03    464.575  7089.00    466.970  237.885 8.0487  240.231 8.0112  -2.346054      11.35604 
1 1 1 -14 20  13 o 131.913 4.2602  2119.04    136.359  2017.79    191.736  2222.65    193.965  128.462 6.1513  134.864 5.9274  -6.401321      8.542376 
1 1 1 -14 20  14 o 91.216  4.2098  1013.41    93.174   1004.88    130.938  1022.15    132.614  90.454  5.9999  91.227  6.0250  -0.7724457     8.502897 
1 1 1 -14 20  15 o 28.377  7.3334  102.661    50.857   96.107     68.092   110.930    76.483   28.080  8.9042  30.036  9.4259  -1.955685      12.96661 
1 1 1 -14 20  16 o 133.462 4.2119  2171.29    136.395  1948.48    191.964  2398.46    193.834  126.063 6.2758  139.992 5.7064  -13.92851      8.482238 
1 1 1 -14 20  17 o 68.024  4.4567  567.105    73.153   583.877    101.623  549.068    105.387  68.717  6.1603  66.522  6.6170  2.194435       9.040666 
1 1 1 -14 20  18 o 129.189 4.3112  2037.48    135.141  2064.10    191.137  2010.87    191.099  129.633 6.0766  127.930 6.1563  1.703239       8.650194 
1 1 1 -14 20  19 o 95.138  4.1345  1105.18    95.442   1116.41    135.503  1094.12    134.455  95.130  5.8995  94.168  5.9145  0.9619980      8.353800 
1 1 1 -14 20  20 f 124.674 4.3114  1900.54    130.425  1895.30    185.307  1905.68    183.603  124.002 6.1589  124.364 6.0844  -0.3626175     8.657472 
1 1 1 -14 20  21 o 77.216  4.2862  731.781    79.990   710.506    113.685  752.639    112.569  75.591  6.2544  77.887  6.0027  -2.296165      8.668924 
1 1 1 -14 20  22 o 32.751  6.6915  137.751    51.380   84.330     69.487   202.188    76.316   26.606  9.0256  39.452  8.2383  -12.84587      12.22008 
1 1 1 -14 20  23 o 18.729  7.1704  30.836     45.547   25.159     61.399   37.782     67.919   20.159  8.1355  21.991  8.6611  -1.831642      11.88280 
1 1 1 -14 20  24 o 54.629  7.1203  379.095    92.137   309.431    103.060  656.476    205.647  48.592  9.0747  69.366  12.686  -20.77449      15.59741 
1 1 1 -14 20  25 f 26.608  8.7737  87.623     65.724   106.098    70.475   -35.7296   182.102  28.801  9.0497  28.634  12.800  0.1665897      15.67640 
1 1 1 -14 20  26 o 116.063 6.1826  1683.16    173.484  1668.85    209.211  1714.67    310.398  114.753 7.5560  113.291 11.449  1.462051       13.71751 
1 1 1 -14 20  27 o 34.235  6.6833  151.547    53.525   159.842    68.901   138.923    85.000   34.761  8.2861  32.436  9.8970  2.325447       12.90777 
1 1 1 -14 20  28 o 40.557  7.2644  213.217    68.862   312.040    105.161  139.029    91.115   48.448  9.2836  32.509  10.299  15.93948       13.86574 
1 1 1 -14 20  29 f 24.305  7.9166  73.666     53.571   8.6902     77.273   133.792    74.334   20.668  8.7951  31.720  9.1515  -11.05219      12.69266 
1 1 1 -14 20  30 o 17.777  7.4889  8.5044     55.100   -15.0849   81.695   28.191     74.631   19.716  8.7068  21.709  8.8914  -1.992878      12.44449 
1 1 1 -14 20  31 o 43.979  8.8697  258.793    91.383   223.660    201.062  267.940    102.592  40.563  15.169  44.365  9.7925  -3.802410      18.05513 
1 1 1 -14 20  32 f 29.139  10.025  108.053    85.781   78.926     203.837  114.321    94.563   33.497  14.270  30.031  10.515  3.465712       17.72579 
1 1 1 -14 20  33 o 28.721  8.6040  110.151    64.675   102.518    88.160   119.047    95.170   28.614  10.141  30.323  10.553  -1.708651      14.63541 
1 1 1 -14 20  34 o 51.753  6.0870  342.877    74.976   408.109    108.724  283.729    103.531  55.334  8.3583  45.258  9.7180  10.07573       12.81801 
1 1 1 -14 20  35 o 54.376  5.7064  376.895    74.167   376.608    108.613  377.145    101.521  52.701  8.8044  53.137  8.1328  -0.4360008     11.98584 
1 1 1 -14 20  36 o 61.999  5.4510  488.315    81.169   478.437    115.637  497.908    113.961  59.744  8.1927  61.187  7.8575  -1.442822      11.35167 
1 1 1 -14 20  37 o 24.284  7.9544  77.164     54.056   33.361     87.742   103.960    68.626   22.775  9.5132  27.685  8.9561  -4.909119      13.06570 
1 1 1 -14 20  38 o 86.782  7.1873  990.608    149.979  990.608    149.979  0.0000     0.0000   86.782  7.1873  ?       ?       0.000000       7.187271 
1 1 1 -14 20  39 f 66.454  8.1507  597.144    128.671  597.144    128.671  0.0000     0.0000   66.454  8.1507  ?       ?       0.000000       8.150698 
1 1 1 -14 20  40 o 19.746  8.4085  14.659     70.715   -43.7403   92.847   95.334     109.127  19.041  8.7559  28.205  11.017  -9.163368      14.07277 
1 1 1 -14 20  41 o 18.385  8.3338  -27.3162   80.272   21.183     86.768   -315.2966  211.434  21.810  9.3013  22.310  10.991  -0.5007896     14.39884 
1 1 1 -14 20  42 o 21.052  9.1362  9.1609     86.545   -48.9706   92.934   388.856    237.514  18.831  8.6954  45.742  16.592  -26.91186      18.73281 
1 1 1 -14 20  43 o 29.151  9.3886  119.105    75.478   165.971    97.820   50.147     118.656  33.576  10.675  25.871  10.949  7.704865       15.29179 
1 1 1 -14 20  44 o 35.250  8.7366  176.618    74.347   127.920    94.493   255.754    120.456  29.988  10.511  40.521  11.638  -10.53348      15.68147 
1 1 1 -14 21  1  o 117.359 4.0481  1675.34    115.273  1613.46    161.309  1739.91    164.789  114.868 5.8064  119.447 5.6857  -4.579094      8.126623 
1 1 1 -14 21  2  o 190.973 4.8763  4441.60    225.957  4469.90    316.938  4412.34    322.230  191.229 6.8306  189.960 6.9910  1.268845       9.774000 
1 1 1 -14 21  3  o 137.212 4.2297  2290.78    140.820  2191.95    197.747  2392.47    200.584  134.012 6.0814  140.031 5.9035  -6.019928      8.475502 
1 1 1 -14 21  4  o 162.164 4.5117  3201.12    177.526  3054.07    248.535  3354.30    253.664  158.115 6.4781  165.734 6.3079  -7.619370      9.041877 
1 1 1 -14 21  5  o 165.099 6.4379  3329.92    257.901  3144.81    388.555  3475.69    344.805  159.338 10.102  168.040 8.4840  -8.702332      13.19226 
1 1 1 -14 21  6  o 60.958  6.5900  459.347    95.921   348.503    157.064  525.280    121.136  51.888  12.601  65.004  7.8382  -13.11572      14.83969 
1 1 1 -14 21  7  o 214.167 7.4444  5618.87    386.854  5323.06    572.855  5866.87    524.523  206.796 11.461  218.030 9.9148  -11.23401      15.15485 
1 1 1 -14 21  8  o 151.808 6.2177  2815.50    229.028  2969.21    350.293  2700.74    302.686  154.947 9.3611  148.012 8.4633  6.935303       12.61972 
1 1 1 -14 21  9  o 45.649  7.8696  262.783    84.019   116.033    152.237  327.059    100.752  34.984  13.176  50.930  8.4490  -15.94670      15.65251 
1 1 1 -14 21  10 o 11.408  5.3644  -40.9954   38.025   59.583     49.008   -193.1420  60.276   22.689  7.5803  10.300  5.1910  12.38948       9.187402 
1 1 1 -14 21  11 o 230.924 5.5228  6510.46    309.449  6428.86    436.106  6593.22    439.165  228.736 7.8577  231.658 7.8130  -2.922028      11.08085 
1 1 1 -14 21  12 o 91.573  4.0653  1021.05    90.329   1047.66    126.296  993.196    129.243  92.431  5.6586  89.935  5.9564  2.495827       8.215694 
1 1 1 -14 21  13 o 126.034 4.2531  1935.41    130.065  2022.53    183.408  1847.28    184.475  128.588 5.8783  122.678 6.2177  5.909645       8.556528 
1 1 1 -14 21  14 o 168.512 4.6689  3464.59    190.900  3498.14    269.236  3430.67    270.716  168.859 6.5712  167.193 6.6732  1.665405       9.365472 
1 1 1 -14 21  15 o 151.056 4.5029  2784.49    165.041  2709.34    233.144  2859.98    233.663  148.544 6.4685  152.662 6.3080  -4.118332      9.035121 
1 1 1 -14 21  16 o 97.833  4.2211  1167.84    100.200  1179.58    141.798  1156.14    141.612  97.862  6.0006  96.868  6.0554  0.9940643      8.524962 
1 1 1 -14 21  17 o 203.758 5.1475  5084.69    254.493  4935.59    360.009  5233.62    359.807  199.736 7.4284  205.796 7.2056  -6.059708      10.34897 
1 1 1 -14 21  18 o 114.850 4.2554  1611.85    118.586  1630.18    167.509  1593.43    167.905  114.935 6.0275  113.601 6.1139  1.334366       8.585473 
1 1 1 -14 21  19 o 173.872 4.7843  3705.06    201.843  3809.87    286.975  3602.45    283.948  175.445 6.7412  170.541 6.8619  4.903870       9.619269 
1 1 1 -14 21  20 o 94.070  4.2301  1083.07    96.554   1055.99    137.610  1109.33    135.510  92.233  6.1847  94.629  5.9318  -2.395302      8.569526 
1 1 1 -14 21  21 o 36.973  6.2838  173.803    54.356   182.683    75.199   164.086    78.660   37.382  8.4848  35.330  9.1153  2.052326       12.45314 
1 1 1 -14 21  22 o 29.844  6.8057  115.250    48.190   58.209     65.867   180.949    70.690   23.641  8.7129  37.242  8.0569  -13.60129      11.86711 
1 1 1 -14 21  23 o 29.042  8.2912  109.720    61.316   136.016    70.368   26.789     124.966  32.154  8.7747  26.708  11.266  5.445759       14.28009 
1 1 1 -14 21  24 o 41.864  7.9147  228.258    77.452   175.373    85.428   472.446    183.569  36.231  9.5737  57.981  13.327  -21.75084      16.40944 
1 1 1 -14 21  25 o 36.390  8.4971  175.373    73.665   126.726    80.579   422.891    181.762  31.147  9.6589  54.389  13.762  -23.24246      16.81325 
1 1 1 -14 21  26 o 25.931  8.1940  85.437     57.701   115.089    89.428   64.288     75.526   30.235  10.239  24.833  9.2948  5.401949       13.82875 
1 1 1 -14 21  27 o 65.227  5.4466  531.723    85.412   574.034    121.938  490.966    119.676  66.873  7.6526  61.529  8.2217  5.343971       11.23206 
1 1 1 -14 21  28 o 52.196  5.7640  343.384    71.782   330.632    103.605  355.157    99.548   49.989  8.8663  52.179  8.1273  -2.190163      12.02765 
1 1 1 -14 21  29 o 57.739  5.2715  417.457    73.039   420.457    104.155  414.554    102.450  56.962  7.7360  56.590  7.6579  0.3718376      10.88533 
1 1 1 -14 21  30 o 80.970  6.8519  835.282    133.354  683.266    261.192  888.880    155.092  66.157  16.362  82.974  7.7948  -16.81737      18.12414 
1 1 1 -14 21  31 o 80.875  6.8986  836.578    134.080  1069.19    265.665  757.078    155.312  86.239  13.109  75.857  8.5895  10.38191       15.67228 
1 1 1 -14 21  32 o 21.476  8.2913  44.063     61.253   52.337     84.399   34.856     89.037   24.216  9.6174  23.372  9.6573  0.8440876      13.62935 
1 1 1 -14 21  33 o 36.405  7.6343  177.291    65.282   214.312    93.058   141.418    91.604   39.137  9.8165  32.072  10.345  7.065140       14.26087 
1 1 1 -14 21  34 o 48.341  6.1657  301.331    70.674   307.834    98.497   294.431    101.467  47.458  8.8799  46.094  9.3911  1.364384       12.92461 
1 1 1 -14 21  35 o 46.030  6.4130  275.848    69.680   215.394    102.912  327.023    94.685   38.507  10.654  49.187  8.2239  -10.67980      13.45900 
1 1 1 -14 21  36 o 58.429  5.4273  435.414    76.064   529.147    112.625  356.802    103.142  63.135  7.4985  50.999  8.6438  12.13672       11.44304 
1 1 1 -14 21  37 o 115.792 7.1784  1762.21    200.688  1762.21    200.688  0.0000     0.0000   115.792 7.1784  ?       ?       0.000000       7.178362 
1 1 1 -14 21  38 o 28.241  10.364  104.962    93.046   104.962    93.046   0.0000     0.0000   28.241  10.364  ?       ?       0.000000       10.36359 
1 1 1 -14 21  39 o 40.145  8.1298  222.036    76.476   209.857    100.356  238.904    118.106  37.633  10.560  39.526  11.574  -1.892906      15.66729 
1 1 1 -14 21  40 f 27.915  10.257  101.690    91.183   82.147     98.311   221.994    243.918  26.715  10.451  37.890  15.847  -11.17562      18.98285 
1 1 1 -14 21  41 f 16.578  7.7959  -66.6466   80.330   -95.3083   85.593   145.171    232.684  16.159  7.7272  34.769  15.035  -18.61025      16.90436 
1 1 1 -14 21  42 o 22.952  9.0435  53.864     74.079   -69.7424   96.503   231.190    115.587  18.323  8.5935  38.837  11.472  -20.51427      14.33346 
1 1 1 -14 21  43 o 73.468  5.7710  696.897    102.049  644.519    137.527  761.073    152.228  68.350  8.4743  74.173  8.6190  -5.823196      12.08721 
1 1 1 -14 22  1  o 119.927 4.1109  1749.91    119.625  1860.12    167.327  1634.70    171.086  123.497 5.5840  115.552 6.1239  7.945061       8.287527 
1 1 1 -14 22  2  o 150.598 5.2223  2764.41    190.827  2788.63    344.349  2753.68    229.248  150.163 9.4999  150.147 6.2925  0.1609802E-01  11.39489 
1 1 1 -14 22  3  o 302.259 9.3625  11253.51   686.653  11325.02   995.266  11188.55   948.563  300.684 13.642  299.257 13.063  1.426331       18.88774 
1 1 1 -14 22  4  o 58.042  6.4491  416.690    89.289   277.783    150.081  492.792    111.087  46.455  12.871  63.006  7.4078  -16.55108      14.85048 
1 1 1 -14 22  5  o 180.021 6.7495  3964.28    294.821  3757.48    443.271  4128.33    394.806  173.934 10.553  183.158 8.8837  -9.223785      13.79449 
1 1 1 -14 22  6  o 212.383 7.3755  5527.99    380.083  5484.32    563.768  5564.38    514.623  209.935 11.107  212.189 9.9954  -2.254456      14.94242 
1 1 1 -14 22  7  o 124.894 5.9066  1905.18    178.996  2139.40    282.553  1748.18    231.337  131.502 8.9079  119.033 8.0571  12.46838       12.01109 
1 1 1 -14 22  8  o 207.323 5.1415  5242.37    258.645  5131.63    363.522  5355.91    368.079  204.566 7.3237  209.008 7.2579  -4.442429      10.31092 
1 1 1 -14 22  9  f 66.931  4.3043  547.841    69.532   535.163    96.241   561.686    100.568  65.885  6.0890  67.490  6.2110  -1.604698      8.697824 
1 1 1 -14 22  10 o 39.348  5.5758  192.819    51.745   149.022    69.612   246.901    77.356   34.114  8.4531  44.253  7.4703  -10.13895      11.28091 
1 1 1 -14 22  11 o 133.639 4.2656  2176.10    138.316  2062.94    193.510  2294.31    197.777  129.818 6.1434  136.941 5.9522  -7.123611      8.553913 
1 1 1 -14 22  12 o 143.455 4.4073  2509.19    153.408  2492.42    215.582  2526.38    218.348  142.621 6.2297  143.581 6.2674  -0.9597321     8.836806 
1 1 1 -14 22  13 o 129.730 4.1246  2051.64    129.834  1909.69    182.406  2197.42    184.845  124.824 6.0225  133.971 5.6863  -9.147438      8.282777 
1 1 1 -14 22  14 o 47.726  4.9776  281.422    56.794   262.116    78.679   302.425    82.065   45.547  7.3712  49.060  7.1003  -3.513798      10.23471 
1 1 1 -14 22  15 o 196.655 5.0282  4732.85    239.927  4638.60    337.487  4829.17    341.159  193.818 7.1763  197.792 7.1086  -3.973953      10.10103 
1 1 1 -14 22  16 o 111.937 4.1606  1530.23    113.005  1454.69    157.644  1610.07    162.073  108.592 6.0063  114.304 5.8634  -5.712173      8.393759 
1 1 1 -14 22  17 o 59.621  4.7493  438.072    68.136   431.341    93.290   445.766    99.751   58.718  6.6659  59.605  7.0326  -0.8865700     9.689814 
1 1 1 -14 22  18 o 52.529  4.8809  341.329    61.499   363.673    84.287   315.892    89.932   53.826  6.5914  49.806  7.6892  4.019974       10.12773 
1 1 1 -14 22  19 o 42.244  5.7564  224.067    57.468   278.964    81.229   169.053    81.315   46.766  7.4051  35.869  9.2745  10.89711       11.86808 
1 1 1 -14 22  20 o 136.602 4.4147  2289.06    146.328  2122.94    207.452  2453.55    206.429  130.529 6.5711  140.749 6.0445  -10.21985      8.928389 
1 1 1 -14 22  21 o 60.148  6.3562  454.534    91.360   496.144    109.875  361.315    164.456  62.508  7.3871  50.942  13.198  11.56638       15.12487 
1 1 1 -14 22  22 o 90.664  5.8541  1024.15    128.096  1010.46    158.094  1050.32    218.562  89.382  7.3549  89.480  10.252  -0.9778595E-01 12.61707 
1 1 1 -14 22  23 o 58.934  6.2465  437.578    87.961   477.493    104.426  340.089    163.202  61.248  7.1620  49.002  13.359  12.24604       15.15795 
1 1 1 -14 22  24 o 66.064  6.2879  549.828    99.578   515.487    114.510  656.344    201.671  63.420  7.5924  68.823  12.539  -5.402767      14.65816 
1 1 1 -14 22  25 o 71.918  5.0123  642.882    86.919   579.194    124.104  704.201    121.774  67.131  7.7622  74.556  6.8065  -7.425339      10.32380 
1 1 1 -14 22  26 f 83.372  4.8719  862.435    98.128   980.537    141.298  752.407    136.382  88.091  6.6597  76.733  7.4175  11.35834       9.968543 
1 1 1 -14 22  27 o 17.964  7.6304  5.8181     57.967   37.497     95.117   -12.8990   73.112   24.381  10.018  18.750  8.2608  5.630985       12.98458 
1 1 1 -14 22  28 o 89.813  4.8200  1001.79    104.656  1056.05    147.249  946.400    148.775  91.257  6.6968  86.082  7.1886  5.174500       9.824627 
1 1 1 -14 22  29 o 81.576  6.8184  848.385    133.723  1085.38    261.210  764.214    155.669  87.600  12.656  76.359  8.5486  11.24100       15.27271 
1 1 1 -14 22  30 o 37.780  9.6100  196.478    88.302   250.325    201.934  183.748    98.187   41.463  15.260  36.325  10.529  5.137749       18.53942 
1 1 1 -14 22  31 o 16.829  7.2824  -1.2370    54.671   -29.6227   76.788   27.944     77.856   18.116  8.1870  21.788  9.0190  -3.671528      12.18071 
1 1 1 -14 22  32 o 21.807  8.0956  52.076     57.064   33.249     84.406   67.926     77.444   22.705  9.3942  24.815  9.3858  -2.109802      13.27942 
1 1 1 -14 22  33 o 62.297  5.2495  490.935    78.610   497.728    111.007  484.102    111.338  61.394  7.6153  60.438  7.7723  0.9555359      10.88121 
1 1 1 -14 22  34 o 75.386  4.9512  716.108    90.063   673.704    127.072  758.910    127.666  71.480  7.4354  76.254  6.9773  -4.774162      10.19646 
1 1 1 -14 22  35 o 92.435  4.9372  1077.61    110.334  1030.99    156.099  1124.15    155.974  88.409  7.3432  92.684  6.9870  -4.274139      10.13611 
1 1 1 -14 22  36 o 51.455  9.6573  376.125    116.143  376.125    116.143  0.0000     0.0000   51.455  9.6573  ?       ?       0.000000       9.657266 
1 1 1 -14 22  37 o 31.782  10.934  146.040    102.031  146.040    102.031  0.0000     0.0000   31.782  10.934  ?       ?       0.000000       10.93395 
1 1 1 -14 22  38 o 48.369  7.4118  314.559    84.215   278.383    111.176  363.260    128.996  43.280  10.658  49.301  11.056  -6.021027      15.35645 
1 1 1 -14 22  39 o 28.143  10.576  102.292    97.972   90.341     106.303  169.697    252.450  27.619  10.849  35.896  15.591  -8.277100      18.99422 
1 1 1 -14 22  40 o 16.248  7.7452  -88.7577   84.595   -57.2352   90.731   -298.4589  234.016  18.185  8.4639  23.845  11.711  -5.660633      14.44958 
1 1 1 -14 22  41 o 25.415  9.2652  82.284     74.192   69.007     96.799   101.191    115.510  25.561  10.250  28.651  11.292  -3.090618      15.25014 
1 1 1 -14 22  42 o 32.240  9.2109  150.288    75.644   130.262    101.419  175.395    113.561  30.181  10.857  33.859  11.538  -3.678305      15.84325 
1 1 1 -14 22  43 o 15.532  7.5984  -149.0252  95.595   -226.7133  222.242  -131.3880  105.892  23.777  11.622  17.118  8.2875  6.659264       14.27443 
1 1 1 -14 23  1  o 80.730  5.8159  799.642    113.162  752.940    179.559  830.412    145.750  77.527  9.7617  81.998  7.4055  -4.470619      12.25289 
1 1 1 -14 23  2  o 116.198 5.7272  1648.07    161.475  1784.45    254.724  1556.44    208.785  120.107 8.8019  112.391 7.7025  7.715599       11.69621 
1 1 1 -14 23  3  o 39.688  7.9194  200.039    73.590   129.580    138.205  227.922    86.940   35.003  12.663  42.279  8.7626  -7.275917      15.39924 
1 1 1 -14 23  4  o 78.252  5.7866  751.751    109.093  738.623    181.265  759.207    136.603  76.681  9.9787  78.379  7.2654  -1.698013      12.34346 
1 1 1 -14 23  5  o 298.612 9.2863  11005.32   672.841  11248.76   978.485  10786.96   926.706  299.089 13.483  293.231 13.025  5.858337       18.74666 
1 1 1 -14 23  6  o 30.033  6.5265  114.615    46.201   142.599    61.697   78.890     69.711   33.419  7.7579  26.379  9.0397  7.039841       11.91218 
1 1 1 -14 23  7  o 73.821  4.2336  665.866    75.516   673.266    104.611  657.814    109.122  73.990  5.8753  73.072  6.2135  0.9182968      8.551417 
1 1 1 -14 23  8  o 62.959  4.4298  485.402    67.241   502.638    93.030   466.547    97.299   63.816  6.0816  61.357  6.6415  2.458771       9.005291 
1 1 1 -14 23  9  o 61.030  4.3921  456.307    64.605   446.960    89.131   466.654    93.778   60.108  6.2003  61.396  6.3886  -1.287796      8.902717 
1 1 1 -14 23  10 o 131.716 4.2559  2114.69    136.017  2040.87    189.638  2192.90    195.196  129.088 6.0545  133.818 6.0116  -4.730469      8.532055 
1 1 1 -14 23  11 o 165.134 4.5691  3327.75    183.075  3145.67    257.269  3514.54    260.578  160.038 6.6252  169.247 6.3453  -9.208618      9.173683 
1 1 1 -14 23  12 o ?       ?       -486.1139  19.225   -486.1139  19.225   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -14 23  13 o 79.027  4.1983  764.318    80.214   810.931    110.963  713.298    116.090  81.123  5.6730  75.902  6.3621  5.221001       8.524065 
1 1 1 -14 23  14 o 16.524  6.6670  15.269     41.224   39.533     54.747   -16.5031   62.648   20.849  7.8900  17.331  7.6405  3.518251       10.98314 
1 1 1 -14 23  15 f 119.478 4.2088  1744.53    122.015  1697.94    171.065  1792.79    174.086  117.275 6.0321  120.683 5.9450  -3.408073      8.469297 
1 1 1 -14 23  16 o 43.930  5.3058  240.439    55.411   247.957    75.770   231.796    81.240   44.125  7.3346  42.402  8.1928  1.723045       10.99629 
1 1 1 -14 23  17 f 60.529  4.6719  451.952    68.085   492.299    92.709   404.714    100.313  62.820  6.1614  56.513  7.5009  6.307652       9.707068 
1 1 1 -14 23  18 o 34.941  6.2537  155.604    51.074   166.644    68.136   141.445    77.161   35.761  8.0468  32.889  9.2704  2.872005       12.27562 
1 1 1 -14 23  19 o 120.745 4.3508  1788.97    127.468  1802.01    180.540  1776.00    179.996  120.337 6.2042  119.450 6.2319  0.8870316      8.793696 
1 1 1 -14 23  20 o 135.237 6.2014  2274.59    203.493  2279.65    259.330  2266.49    328.272  134.088 8.0073  131.828 10.346  2.260376       13.08251 
1 1 1 -14 23  21 o 59.157  6.4120  441.441    90.563   455.656    108.567  408.922    164.210  59.633  7.6819  54.130  12.718  5.502384       14.85808 
1 1 1 -14 23  22 f 28.485  8.4246  105.735    62.303   64.280     71.177   241.577    128.845  24.512  9.0530  41.764  12.048  -17.25208      15.07041 
1 1 1 -14 23  23 o 52.462  4.9288  343.101    62.006   268.182    87.014   420.392    88.381   45.224  8.2331  57.613  6.4321  -12.38966      10.44774 
1 1 1 -14 23  24 o 80.512  4.8554  804.313    94.410   863.277    129.709  737.881    137.678  82.700  6.5168  75.903  7.5768  6.797668       9.993811 
1 1 1 -14 23  25 f 19.238  7.8322  22.128     57.472   7.8229     89.227   32.271     75.135   21.929  9.3942  22.073  8.9673  -0.1441956     12.98704 
1 1 1 -14 23  26 o 10.559  5.1688  -83.6789   44.432   -149.3478  77.930   -52.0509   54.083   13.777  6.7646  13.694  6.4261  0.8217049E-01  9.330289 
1 1 1 -14 23  27 o 50.181  7.6257  328.005    89.928   383.988    214.065  316.007    99.096   49.861  15.785  48.759  8.6950  1.102409       18.02158 
1 1 1 -14 23  28 o 70.724  7.4122  645.605    125.306  569.823    259.738  668.593    143.054  59.091  17.124  71.379  8.4219  -12.28855      19.08266 
1 1 1 -14 23  29 o 25.568  9.8165  68.229     85.519   96.714     219.291  63.120     92.873   34.599  14.772  25.707  10.127  8.891291       17.90991 
1 1 1 -14 23  30 o 52.504  5.6962  350.570    71.404   310.943    102.079  388.535    99.916   47.758  9.1421  54.269  7.8130  -6.511517      12.02586 
1 1 1 -14 23  31 o 41.295  6.8354  223.705    66.093   124.521    96.975   309.743    90.320   30.541  10.651  48.132  8.0155  -17.59157      13.33001 
1 1 1 -14 23  32 o 55.660  5.5543  394.885    74.011   414.161    106.335  376.773    103.075  55.572  8.1261  52.851  8.3122  2.721043       11.62441 
1 1 1 -14 23  33 o 85.246  4.9543  915.824    102.033  946.490    146.052  886.591    142.602  84.988  7.1488  82.176  7.2252  2.812187       10.16412 
1 1 1 -14 23  34 f 57.555  5.5306  424.283    76.284   483.452    109.043  367.566    106.758  60.098  7.6513  51.502  8.8628  8.595921       11.70860 
1 1 1 -14 23  35 o 16.640  7.3890  -10.6670   59.625   -23.2030   82.088   3.3325     86.748   18.747  8.4692  20.672  9.0555  -1.924646      12.39876 
1 1 1 -14 23  36 o 18.032  8.4060  -58.2804   90.043   -58.2804   90.043   0.0000     0.0000   18.032  8.4060  ?       ?       0.000000       8.405965 
1 1 1 -14 23  37 o 58.448  6.1798  445.142    86.312   384.258    120.878  508.474    123.284  51.521  10.030  60.657  8.6189  -9.136215      13.22464 
1 1 1 -14 23  38 f 24.213  9.9412  52.044     93.579   91.914     102.426  -149.2801  230.163  27.482  10.690  26.251  12.584  1.230389       16.51218 
1 1 1 -14 23  39 o 43.786  10.334  282.483    108.023  204.458    119.771  622.731    250.111  36.398  11.836  57.391  16.853  -20.99316      20.59417 
1 1 1 -14 23  40 o 14.206  6.7099  -57.7759   60.716   -111.3470  87.169   -7.2958    84.617   15.751  7.5992  19.783  8.7926  -4.031953      11.62150 
1 1 1 -14 23  41 o 17.147  7.5497  -4.1314    60.974   -36.5363   90.653   22.639     82.396   18.913  8.6802  21.229  9.0590  -2.315645      12.54637 
1 1 1 -14 23  42 o 51.317  10.145  392.128    121.847  346.393    275.969  403.202    135.801  40.357  16.865  50.917  11.288  -10.55942      20.29450 
1 1 1 -14 24  1  f 77.829  5.9182  744.237    110.924  958.697    182.075  617.660    139.880  87.829  8.6563  70.387  8.3533  17.44145       12.02954 
1 1 1 -14 24  2  o 93.586  5.7209  1073.62    129.285  1066.73    210.480  1077.80    163.834  92.451  9.5190  93.472  7.2811  -1.021736      11.98437 
1 1 1 -14 24  3  o 54.316  6.6123  366.406    85.347   303.087    152.528  395.268    102.977  48.294  12.807  56.215  7.7562  -7.921024      14.97287 
1 1 1 -14 24  4  f 135.910 4.2460  2249.79    140.023  2214.78    196.932  2285.58    199.130  134.581 6.0307  136.720 6.0026  -2.139374      8.508849 
1 1 1 -14 24  5  o 23.981  7.0913  71.616     44.147   34.179     61.767   110.711    63.121   21.242  8.2910  29.592  8.4000  -8.349636      11.80258 
1 1 1 -14 24  6  o 44.113  5.0214  240.511    52.790   262.323    72.981   216.576    76.452   45.774  6.7757  41.279  7.9211  4.494728       10.42377 
1 1 1 -14 24  7  o 133.638 5.0555  2180.49    163.929  2249.56    193.208  2002.96    309.729  135.588 5.8727  126.488 10.178  9.099930       11.75074 
1 1 1 -14 24  8  o 145.985 5.1640  2603.87    182.920  2626.85    216.426  2546.41    342.240  146.427 6.0915  142.693 9.9469  3.733627       11.66396 
1 1 1 -14 24  9  o 95.654  4.0553  1115.25    94.121   1066.19    130.810  1167.93    135.531  93.119  5.8186  97.490  5.7550  -4.371376      8.183875 
1 1 1 -14 24  10 f 12.456  5.7776  -35.9306   41.719   -119.0608  56.993   60.026     61.232   11.658  5.7364  23.668  8.4446  -12.00962      10.20870 
1 1 1 -14 24  11 o 60.429  4.4415  448.344    64.668   429.720    88.566   469.611    94.644   58.797  6.3065  61.463  6.4420  -2.666706      9.015024 
1 1 1 -14 24  12 o 27.382  6.9329  96.128     46.109   10.984     62.713   196.307    68.025   19.301  8.0506  39.214  7.4210  -19.91387      10.94910 
1 1 1 -14 24  13 o 10.685  5.1194  -53.2608   37.962   -62.9462   51.092   -41.3235   56.721   12.769  6.0678  14.868  6.8393  -2.098346      9.142961 
1 1 1 -14 24  14 o 69.204  4.2530  587.897    71.070   561.067    99.007   616.419    102.080  67.173  6.1424  70.464  6.0285  -3.290497      8.606532 
1 1 1 -14 24  15 o 48.255  4.9941  288.896    57.628   316.162    80.107   259.651    82.964   50.067  6.7676  44.978  7.8897  5.088707       10.39464 
1 1 1 -14 24  16 o 55.843  4.6957  385.430    63.035   353.368    85.702   423.216    93.040   52.903  6.8365  57.997  6.7369  -5.094624      9.598107 
1 1 1 -14 24  17 o 81.736  4.2581  821.314    84.156   863.653    115.721  773.786    122.607  83.378  5.7553  78.649  6.4825  4.728264       8.668696 
1 1 1 -14 24  18 o 91.361  4.2269  1024.19    93.702   952.421    129.780  1102.36    135.431  87.349  6.1628  94.085  5.9633  -6.735489      8.575626 
1 1 1 -14 24  19 o 51.351  6.9006  335.648    83.805   367.254    94.230   216.050    183.299  53.553  7.4538  40.700  14.601  12.85307       16.39378 
1 1 1 -14 24  20 f 124.831 6.0679  1941.76    183.791  1861.70    231.269  2078.98    302.790  120.887 7.9285  126.055 9.9812  -5.168930      12.74693 
1 1 1 -14 24  21 o 38.844  7.5747  197.023    68.829   191.968    80.910   210.261    130.933  37.913  8.9407  39.125  12.341  -1.211761      15.23930 
1 1 1 -14 24  22 o 29.692  7.2444  115.758    51.729   48.464     71.068   191.583    75.439   23.016  8.9183  37.987  8.4069  -14.97117      12.25610 
1 1 1 -14 24  23 o 30.075  8.2451  119.855    61.964   149.207    90.089   93.502     85.362   33.354  10.191  27.985  9.9722  5.368608       14.25868 
1 1 1 -14 24  24 o 84.271  4.9141  882.578    100.045  935.835    137.486  822.638    145.855  85.955  6.6437  80.039  7.6015  5.915695       10.09561 
1 1 1 -14 24  25 o 47.323  6.6903  287.618    74.681   616.899    110.544  11.155     101.290  69.649  6.6208  23.290  9.9939  46.35942       11.98803 
1 1 1 -14 24  26 o 33.229  9.6569  149.999    82.501   -41.7634   212.077  184.194    89.555   29.740  13.507  36.626  9.8590  -6.886074      16.72200 
1 1 1 -14 24  27 o 41.254  9.3461  232.465    91.386   146.986    223.716  249.585    100.120  36.970  15.295  42.531  9.8890  -5.560696      18.21331 
1 1 1 -14 24  28 o 96.632  6.8611  1196.91    159.826  1070.39    307.850  1243.59    187.003  82.497  15.956  97.615  7.9647  -15.11818      17.83374 
1 1 1 -14 24  29 o 106.546 4.8686  1416.42    125.865  1418.16    176.543  1414.63    179.493  104.905 6.9755  104.654 7.1107  0.2505798      9.960877 
1 1 1 -14 24  30 o 24.897  8.3018  79.958     58.784   -5.0450    87.596   149.604    79.290   20.588  9.0574  32.750  9.4525  -12.16131      13.09144 
1 1 1 -14 24  31 o 92.091  4.8542  1065.40    108.084  1149.97    153.534  982.315    152.181  94.198  6.7623  86.565  7.3137  7.633667       9.960930 
1 1 1 -14 24  32 o 81.275  4.9327  833.340    96.815   747.546    137.267  918.265    136.570  74.985  7.6516  83.951  6.7618  -8.965462      10.21124 
1 1 1 -14 24  33 o 27.658  8.4004  105.537    61.339   75.272     91.709   130.036    82.511   25.835  10.097  30.303  9.8223  -4.467745      14.08669 
1 1 1 -14 24  34 o 41.695  7.3124  234.788    71.281   278.417    100.613  190.822    101.002  43.918  9.7006  35.683  10.766  8.234375       14.49192 
1 1 1 -14 24  35 o 21.037  8.9507  21.652     80.010   21.652     80.010   0.0000     0.0000   21.037  8.9507  ?       ?       0.000000       8.950743 
1 1 1 -14 24  36 o 43.882  7.2882  260.054    74.880   259.011    108.108  261.016    103.814  41.510  10.674  41.969  10.277  -0.4591522     14.81685 
1 1 1 -14 24  37 o 20.459  9.1443  -10.6313   92.888   -21.6745   99.967   59.160     251.310  20.624  9.3288  32.073  14.619  -11.44931      17.34159 
1 1 1 -14 24  38 o 33.364  10.902  166.219    101.566  240.901    110.075  -261.6178  263.462  39.788  11.022  25.846  12.638  13.94120       16.76946 
1 1 1 -14 24  39 o 32.807  8.6488  153.183    69.825   153.387    100.454  152.993    97.125   32.154  10.852  32.138  10.669  0.1677322E-01  15.21828 
1 1 1 -14 24  40 f 43.560  7.3637  258.497    75.057   290.378    104.286  224.237    108.109  44.344  9.9383  38.036  11.055  6.308804       14.86522 
1 1 1 -14 24  41 f 53.621  9.8820  424.741    123.833  342.829    276.680  445.259    138.477  39.961  16.805  53.815  10.977  -13.85417      20.07238 
1 1 1 -14 25  1  o 102.454 5.7247  1286.79    141.743  1349.83    221.995  1243.39    184.171  104.206 8.8640  100.303 7.6244  3.902390       11.69200 
1 1 1 -14 25  2  o 105.632 4.0245  1358.78    103.149  1336.57    143.500  1382.53    148.371  104.419 5.6852  106.186 5.7804  -1.766815      8.107704 
1 1 1 -14 25  3  o 57.956  4.3863  411.697    61.226   311.421    85.249   518.522    87.989   49.849  7.2613  64.888  5.6448  -15.03905      9.197263 
1 1 1 -14 25  4  o 226.374 5.3876  6262.11    295.925  6301.49    416.272  6221.86    420.768  226.288 7.5814  224.798 7.7141  1.490372       10.81599 
1 1 1 -14 25  5  o 38.149  5.3794  181.327    48.413   189.794    66.703   171.901    70.377   38.657  7.3805  36.630  8.1304  2.027290       10.98073 
1 1 1 -14 25  6  o 89.692  4.8276  985.073    104.676  973.404    121.327  1019.05    207.028  89.007  5.6471  90.030  9.6263  -1.022934      11.16047 
1 1 1 -14 25  7  o 103.604 4.0736  1308.61    102.405  1343.67    144.025  1272.77    145.633  104.588 5.6968  101.731 5.9255  2.856773       8.219857 
1 1 1 -14 25  8  o 14.143  6.1529  -6.5974    39.446   -63.5091   51.758   72.262     60.926   12.886  6.1186  24.960  8.4514  -12.07379      10.43378 
1 1 1 -14 25  9  o 60.196  4.4638  445.019    64.734   446.438    88.519   443.387    94.911   59.965  6.1720  59.643  6.6726  0.3210297      9.089416 
1 1 1 -14 25  10 o 41.841  5.3530  218.048    53.100   168.544    70.970   281.001    80.032   36.120  8.2754  47.157  7.2247  -11.03709      10.98534 
1 1 1 -14 25  11 o 94.353  4.0561  1087.32    92.861   1003.60    129.037  1177.25    133.739  90.118  5.9343  97.710  5.6653  -7.591522      8.204405 
1 1 1 -14 25  12 o 61.792  4.4402  469.648    66.130   426.192    92.206   515.675    94.895   58.347  6.6307  64.376  6.1499  -6.029034      9.043612 
1 1 1 -14 25  13 o 12.941  5.8683  -22.3623   39.846   -96.3480   53.914   66.700     59.153   11.867  5.7840  24.080  8.3229  -12.21295      10.13533 
1 1 1 -14 25  14 o 35.547  5.9294  160.118    49.341   144.227    68.321   177.441    71.333   33.226  8.4538  36.914  8.1793  -3.687687      11.76297 
1 1 1 -14 25  15 o 85.157  4.1377  888.515    85.496   856.050    119.610  922.431    122.252  82.942  5.9835  86.148  5.8838  -3.205658      8.391717 
1 1 1 -14 25  16 o 62.374  4.5082  480.405    67.770   427.943    91.879   543.005    100.365  58.253  6.6178  65.785  6.3673  -7.532284      9.183548 
1 1 1 -14 25  17 o 79.517  5.9928  789.870    114.775  747.157    136.161  894.721    213.335  76.748  7.4036  82.037  10.994  -5.289619      13.25438 
1 1 1 -14 25  18 o 42.970  7.8229  240.279    78.558   238.078    89.184   247.901    165.951  42.376  8.9541  42.312  13.941  0.6348038E-01  16.56889 
1 1 1 -14 25  19 o 32.767  8.4086  142.415    67.187   157.580    74.289   74.292     157.455  34.375  8.8531  31.322  12.882  3.052937       15.63061 
1 1 1 -14 25  20 o 44.138  7.7038  253.893    79.504   220.880    91.082   359.551    162.945  40.490  9.4442  50.062  13.219  -9.571846      16.24606 
1 1 1 -14 25  21 o 45.915  5.5171  265.818    60.235   210.494    89.064   312.454    81.772   39.465  9.4298  49.291  7.0369  -9.825596      11.76599 
1 1 1 -14 25  22 o 51.588  5.8414  336.363    71.831   346.330    97.717   324.646    105.949  51.456  8.0939  49.289  9.1973  2.166912       12.25163 
1 1 1 -14 25  23 o 34.618  7.4702  157.987    60.906   251.950    86.227   64.430     86.041   43.547  8.4655  25.495  9.8313  18.05172       12.97379 
1 1 1 -14 25  24 o 42.801  6.8839  237.230    69.068   215.585    98.267   258.364    97.097   39.520  10.184  43.625  9.4466  -4.104412      13.89071 
1 1 1 -14 25  25 o 16.279  7.4487  -37.7561   66.062   -130.6468  195.252  -25.7479   70.202   25.955  12.189  17.521  7.8814  8.434122       14.51533 
1 1 1 -14 25  26 o 42.530  8.9876  245.627    89.845   -65.8702   221.856  306.733    98.263   29.339  13.507  47.747  8.8060  -18.40850      16.12428 
1 1 1 -14 25  27 o 49.165  8.9818  327.813    103.199  175.802    235.161  364.071    114.849  37.962  15.691  51.549  9.5334  -13.58660      18.36025 
1 1 1 -14 25  28 o 52.403  6.0443  352.226    75.444   269.947    113.045  418.304    101.306  43.357  10.789  56.326  7.6071  -12.96925      13.20112 
1 1 1 -14 25  29 o 48.696  6.5193  308.470    75.096   368.578    109.081  254.314    103.539  51.847  8.9971  42.183  10.223  9.663681       13.61812 
1 1 1 -14 25  30 o 54.478  6.1301  383.548    79.624   363.928    114.822  401.723    110.512  50.883  9.6532  54.192  8.6988  -3.308319      12.99440 
1 1 1 -14 25  31 o 36.821  7.5865  184.316    65.524   218.144    97.071   156.000    88.809   38.676  10.198  32.887  10.131  5.789009       14.37468 
1 1 1 -14 25  32 o 43.193  6.6816  247.369    67.765   193.717    95.449   301.896    96.224   36.195  10.349  46.424  8.8656  -10.22897      13.62694 
1 1 1 -14 25  33 o 19.673  8.0735  28.083     61.683   -14.5257   84.753   76.069     89.943   19.414  8.7019  25.626  10.004  -6.211899      13.25923 
1 1 1 -14 25  34 o 63.408  7.8642  546.825    118.396  546.825    118.396  0.0000     0.0000   63.408  7.8642  ?       ?       0.000000       7.864201 
1 1 1 -14 25  35 o 24.745  9.8967  65.126     89.975   65.126     89.975   0.0000     0.0000   24.745  9.8967  ?       ?       0.000000       9.896738 
1 1 1 -14 25  36 o 24.064  9.9418  50.832     94.336   101.322    103.221  -205.1330  232.410  28.033  10.780  25.072  12.172  2.960793       16.25898 
1 1 1 -14 25  37 o 49.556  9.8661  356.618    114.463  332.501    127.219  459.113    262.265  46.522  11.367  46.986  17.373  -0.4646225     20.76116 
1 1 1 -14 25  38 o 31.393  8.5735  140.393    67.149   164.935    93.797   114.592    96.174   33.190  10.442  28.765  10.539  4.425650       14.83623 
1 1 1 -14 25  39 o 16.083  7.1769  -11.5083   56.972   -98.2886   81.446   71.637     79.722   15.380  7.4018  24.493  9.4582  -9.112879      12.01014 
1 1 1 -14 25  40 o 43.767  10.746  297.309    113.275  116.124    260.177  339.685    125.826  32.496  14.836  46.346  11.293  -13.85029      18.64470 
1 1 1 -14 26  1  o 170.330 4.6246  3539.21    191.128  3511.30    267.342  3568.38    273.350  169.201 6.5118  170.544 6.6057  -1.342926      9.275709 
1 1 1 -14 26  2  o 167.516 4.6041  3423.74    187.139  3296.22    261.611  3557.38    267.807  163.886 6.5789  170.283 6.4817  -6.397217      9.235446 
1 1 1 -14 26  3  o 157.936 4.4393  3042.88    170.121  3026.56    238.454  3059.78    242.780  157.089 6.2560  157.927 6.3357  -0.8377991     8.903821 
1 1 1 -14 26  4  o 41.759  5.2013  216.459    51.560   198.673    71.447   235.787    74.481   39.468  7.7372  43.165  7.3763  -3.697113      10.68991 
1 1 1 -14 26  5  o 68.731  5.4809  582.053    90.644   574.580    115.289  594.151    146.689  67.934  7.0990  68.567  9.0371  -0.6329956     11.49194 
1 1 1 -14 26  6  o ?       ?       -143.7490  27.295   -148.9413  35.069   -135.7692  43.475   ?       ?       8.8296  4.4447  0.000000       4.444734 
1 1 1 -14 26  7  o 65.632  4.2292  528.074    66.991   391.033    92.926   676.360    96.663   55.871  7.0090  74.087  5.4147  -18.21621      8.856887 
1 1 1 -14 26  8  o 92.152  4.0215  1036.68    89.920   1067.48    125.887  1004.59    128.486  93.079  5.6001  90.208  5.9026  2.870842       8.136445 
1 1 1 -14 26  9  o 87.259  4.0806  930.164    86.397   957.346    120.454  901.363    123.990  88.069  5.6669  85.348  6.0260  2.720482       8.272027 
1 1 1 -14 26  10 f 12.395  5.6922  -28.0614   39.063   -81.8970   52.412   39.214     58.590   12.167  5.8754  21.193  8.1280  -9.026341      10.02917 
1 1 1 -14 26  11 o 75.210  4.1711  694.180    75.820   659.260    105.215  731.902    109.355  72.840  6.0067  76.799  5.9139  -3.959457      8.429343 
1 1 1 -14 26  12 o 38.226  5.5639  183.760    50.092   164.703    67.911   206.501    74.184   35.569  8.0558  39.947  7.9333  -4.378052      11.30635 
1 1 1 -14 26  13 o 90.361  4.1662  1000.53    91.345   969.304    126.891  1034.11    131.599  88.295  5.9577  91.203  5.9798  -2.908218      8.441098 
1 1 1 -14 26  14 o 38.414  5.6078  186.127    50.729   255.835    68.580   101.897    75.386   44.911  6.4809  28.591  9.3950  16.32041       11.41348 
1 1 1 -14 26  15 o 90.896  4.1452  1013.96    91.423   998.488    127.333  1030.41    131.345  89.498  5.8966  90.885  5.9896  -1.386871      8.405107 
1 1 1 -14 26  16 o 40.628  8.0187  215.960    76.242   190.813    86.389   304.532    162.131  37.751  9.4524  46.380  13.554  -8.628628      16.52492 
1 1 1 -14 26  17 o 33.498  8.2884  148.674    67.000   138.547    75.360   186.873    146.359  32.288  9.1829  37.636  13.087  -5.347942      15.98732 
1 1 1 -14 26  18 o 30.527  8.4088  123.430    64.270   159.196    70.824   -43.4201   152.971  34.569  8.5025  25.701  11.591  8.867947       14.37480 
1 1 1 -14 26  19 o 28.525  7.3248  107.038    50.960   104.436    66.852   110.648    78.734   28.324  8.8000  29.315  9.5998  -0.9906845     13.02294 
1 1 1 -14 26  20 o 48.663  5.7953  299.598    67.084   362.696    97.535   242.953    92.413   52.775  7.8563  42.469  9.2316  10.30610       12.12205 
1 1 1 -14 26  21 o 28.206  8.0212  105.079    57.502   130.448    79.793   77.671     82.939   31.273  9.5974  26.368  9.7657  4.904621       13.69229 
1 1 1 -14 26  22 o 28.133  8.2871  104.546    60.392   182.451    86.035   28.875     84.793   36.551  9.5834  22.716  9.4086  13.83442       13.42991 
1 1 1 -14 26  23 o 72.093  5.1569  650.200    89.613   657.875    116.981  639.298    139.412  71.732  6.8024  69.794  8.4009  1.937965       10.80962 
1 1 1 -14 26  24 o 27.652  9.4112  97.484     75.553   -98.1019   167.937  147.117    84.598   24.690  11.500  32.809  9.8431  -8.118902      15.13699 
1 1 1 -14 26  25 o 70.582  6.9777  642.386    117.937  587.498    225.295  663.104    138.417  61.078  15.249  70.954  8.1903  -9.875122      17.30929 
1 1 1 -14 26  26 o 76.911  8.2367  782.760    151.322  0.0000     0.0000   782.760    151.322  ?       ?       76.911  8.2367  0.000000       8.236717 
1 1 1 -14 26  27 o 25.552  8.5902  84.424     62.939   85.830     91.487   83.161     86.722   27.045  10.208  26.572  9.9572  0.4725208      14.26000 
1 1 1 -14 26  28 o 17.885  7.6212  8.2113     58.165   -37.9006   94.863   35.990     73.629   19.656  8.9677  21.727  8.8574  -2.070896      12.60450 
1 1 1 -14 26  29 o 64.536  5.6198  532.665    87.122   636.510    127.423  441.503    119.388  69.077  7.7351  56.525  9.0070  12.55206       11.87261 
1 1 1 -14 26  30 o 44.667  7.0836  266.322    74.210   269.736    107.033  263.161    102.983  42.848  10.400  42.496  10.131  0.3521500      14.51851 
1 1 1 -14 26  31 o 27.610  8.4231  106.013    61.572   126.490    91.534   89.090     83.212   29.872  10.352  26.382  9.7795  3.490410       14.24071 
1 1 1 -14 26  32 o 47.215  6.4344  294.554    71.795   239.736    98.915   355.587    104.372  40.181  10.144  50.230  8.8888  -10.04893      13.48758 
1 1 1 -14 26  33 o 21.417  9.0441  27.919     80.676   27.919     80.676   0.0000     0.0000   21.417  9.0441  ?       ?       0.000000       9.044121 
1 1 1 -14 26  34 o 54.470  9.0205  420.089    115.049  420.089    115.049  0.0000     0.0000   54.470  9.0205  ?       ?       0.000000       9.020492 
1 1 1 -14 26  35 o 19.148  8.6168  -16.6580   84.013   -38.0483   90.230   122.737    230.337  18.803  8.6408  33.015  14.598  -14.21210      16.96356 
1 1 1 -14 26  36 o 57.851  8.7230  468.420    118.641  437.936    129.627  625.748    294.481  54.674  10.145  52.892  18.554  1.781837       21.14611 
1 1 1 -14 26  37 o 18.659  8.0410  9.4408     66.101   61.389     93.774   -41.8635   93.191   24.602  10.009  18.912  8.7239  5.689941       13.27721 
1 1 1 -14 26  38 o 15.306  7.0782  -36.6317   61.916   103.976    91.356   -156.0940  84.207   27.537  10.239  14.008  6.9080  13.52927       12.35154 
1 1 1 -14 26  39 o 37.156  11.172  221.593    108.897  217.514    280.419  222.318    118.171  35.312  15.828  36.764  11.738  -1.452747      19.70533 
1 1 1 -14 27  1  o 126.174 4.2198  1941.86    129.188  1889.09    179.146  1999.03    186.474  124.118 5.9485  127.662 6.0199  -3.544067      8.463088 
1 1 1 -14 27  2  o 87.371  3.9678  930.772    84.116   861.440    115.904  1007.93    122.268  83.634  5.7464  90.530  5.5935  -6.895645      8.019250 
1 1 1 -14 27  3  o ?       ?       -212.4353  18.806   -208.7524  20.774   -229.1571  44.265   ?       ?       ?       ?       0.000000       ?        
1 1 1 -14 27  4  o 70.759  4.1785  613.294    71.422   768.665    99.345   447.082    102.753  79.051  5.2085  59.741  7.2361  19.30997       8.915751 
1 1 1 -14 27  5  o 19.471  6.8225  41.641     39.813   27.156     54.348   58.417     58.488   19.574  7.7354  23.208  8.2561  -3.634096      11.31369 
1 1 1 -14 27  6  o 67.946  4.1677  566.099    68.379   550.567    95.686   582.310    97.752   66.630  5.9823  68.549  5.9357  -1.919365      8.427383 
1 1 1 -14 27  7  o 37.778  5.4150  178.766    48.218   225.063    66.785   128.357    69.688   42.161  6.7566  31.528  8.7831  10.63295       11.08127 
1 1 1 -14 27  8  o 22.386  7.1200  61.304     43.512   44.885     59.340   80.400     63.995   21.819  8.2246  25.921  8.6622  -4.101568      11.94484 
1 1 1 -14 27  9  o 68.295  4.2995  573.303    70.884   545.649    98.675   602.791    101.893  66.150  6.2207  69.591  6.0957  -3.441040      8.709505 
1 1 1 -14 27  10 o 80.114  4.1251  787.862    79.916   766.332    110.645  811.343    115.552  78.549  5.8473  80.806  5.9350  -2.257492      8.331515 
1 1 1 -14 27  11 o 136.545 4.3490  2286.96    144.088  2120.13    201.601  2461.17    206.013  130.661 6.3589  140.945 6.0240  -10.28397      8.759225 
1 1 1 -14 27  12 o 119.068 4.2121  1739.19    121.691  1671.45    170.453  1809.61    173.790  115.886 6.0832  120.802 5.9291  -4.915947      8.494666 
1 1 1 -14 27  13 o 51.660  4.7427  331.317    58.784   249.926    80.306   425.273    86.282   43.906  7.8250  58.149  6.2114  -14.24300      9.990590 
1 1 1 -14 27  14 o 92.689  5.8703  1072.22    131.342  1153.76    161.811  914.735    224.873  95.596  7.0252  82.369  11.571  13.22733       13.53628 
1 1 1 -14 27  15 o 21.845  8.1482  48.654     57.942   51.699     68.060   40.634     110.444  23.069  8.7811  26.040  10.758  -2.970943      13.88644 
1 1 1 -14 27  16 o 49.451  7.0369  313.986    82.052   265.378    95.703   448.854    159.414  44.575  9.1550  56.787  11.948  -12.21208      15.05218 
1 1 1 -14 27  17 o 18.087  7.5680  11.411     55.664   3.1090     60.165   60.746     146.668  18.065  7.7259  29.723  12.348  -11.65800      14.56539 
1 1 1 -14 27  18 o 51.792  5.0267  335.683    62.375   422.377    85.130   235.192    91.654   57.734  6.1726  41.734  9.2900  15.99954       11.15369 
1 1 1 -14 27  19 o 90.623  5.0003  1022.24    109.526  1035.67    142.921  1003.13    170.485  90.403  6.5602  88.015  8.0729  2.388069       10.40231 
1 1 1 -14 27  20 o 23.742  8.1233  68.569     56.293   62.420     85.539   73.267     74.764   25.248  9.7839  25.396  9.2943  -0.1487980     13.49479 
1 1 1 -14 27  21 o 16.352  7.0664  -1.7121    51.338   -4.1936    71.604   0.9129     73.646   19.002  8.2782  19.586  8.4638  -0.5832481     11.83909 
1 1 1 -14 27  22 o 41.637  8.9602  234.992    87.841   194.784    179.367  247.678    100.749  37.959  14.301  42.307  9.9766  -4.347576      17.43728 
1 1 1 -14 27  23 o 55.150  7.6926  398.869    100.136  355.362    198.186  413.783    116.037  47.484  15.205  55.510  8.9170  -8.025810      17.62692 
1 1 1 -14 27  24 o 57.221  7.6238  430.044    103.217  541.677    204.363  391.815    119.591  59.092  14.388  53.454  9.5721  5.638367       17.28088 
1 1 1 -14 27  25 o 18.146  7.6942  9.6415     58.772   41.478     79.723   -28.2575   86.982   22.822  9.2492  19.334  8.7276  3.488171       12.71684 
1 1 1 -14 27  26 o 64.570  5.4941  529.894    85.260   549.515    122.660  511.552    118.595  64.159  8.0568  61.852  8.0966  2.307587       11.42224 
1 1 1 -14 27  27 o 45.576  7.1802  275.940    76.774   317.820    110.004  236.166    107.201  47.269  9.9080  40.084  10.785  7.185299       14.64557 
1 1 1 -14 27  28 o 49.253  6.3613  317.045    74.247   313.378    107.124  320.435    102.998  46.850  9.7411  47.754  9.2229  -0.9040298     13.41459 
1 1 1 -14 27  29 o 41.023  7.8720  230.790    75.508   310.173    108.315  155.740    105.317  46.256  9.9462  32.539  11.111  13.71729       14.91255 
1 1 1 -14 27  30 o 29.132  8.9181  120.396    68.946   191.463    101.172  58.775     94.209   35.549  10.787  24.586  10.021  10.96256       14.72293 
1 1 1 -14 27  31 o 50.966  7.2776  350.834    87.442   361.220    122.631  340.091    124.718  49.078  10.607  47.136  11.090  1.941376       15.34605 
1 1 1 -14 27  32 o 34.566  10.287  180.216    92.671   180.216    92.671   0.0000     0.0000   34.566  10.287  ?       ?       0.000000       10.28668 
1 1 1 -14 27  33 o 16.805  7.8713  -57.5891   80.521   -57.5891   80.521   0.0000     0.0000   16.805  7.8713  ?       ?       0.000000       7.871335 
1 1 1 -14 27  34 o 53.683  8.6238  404.475    108.528  453.059    118.913  162.198    265.547  56.569  8.9620  34.747  15.501  21.82221       17.90514 
1 1 1 -14 27  35 o 30.126  10.713  131.905    98.470   45.072     105.730  699.829    270.396  24.352  10.322  58.280  17.623  -33.92788      20.42359 
1 1 1 -14 27  36 o 20.350  8.3574  32.819     66.158   27.394     83.663   41.872     108.078  21.541  9.1588  24.255  10.363  -2.713730      13.83051 
1 1 1 -14 27  37 o 23.086  8.9075  62.548     70.663   92.752     89.540   12.678     115.055  26.485  10.074  23.120  10.265  3.364775       14.38278 
1 1 1 -14 27  38 o 25.658  10.614  73.197     107.720  81.933     265.837  71.481     117.827  31.257  14.528  26.037  10.959  5.220819       18.19799 
1 1 1 -14 28  1  o 71.221  4.6302  622.797    79.581   673.718    120.130  582.974    106.237  73.599  6.8039  68.505  6.4678  5.093979       9.387512 
1 1 1 -14 28  2  o 61.645  4.3908  466.741    65.246   381.243    89.583   563.335    95.219   55.165  6.8393  67.450  5.8768  -12.28452      9.017332 
1 1 1 -14 28  3  o 98.803  4.0871  1192.37    97.983   1154.70    136.170  1232.80    141.098  96.726  5.8292  99.950  5.8435  -3.224449      8.253834 
1 1 1 -14 28  4  o 114.737 4.1611  1609.01    115.844  1542.05    161.866  1679.31    165.863  111.729 5.9925  116.647 5.8791  -4.918167      8.394895 
1 1 1 -14 28  5  o 119.418 4.1578  1743.80    120.476  1762.99    168.336  1723.65    172.498  119.631 5.7992  118.066 6.0416  1.564590       8.374509 
1 1 1 -14 28  6  o 104.271 4.0641  1329.68    102.823  1296.40    143.966  1364.34    146.907  102.372 5.8198  105.040 5.7863  -2.667496      8.206811 
1 1 1 -14 28  7  o 114.423 4.1800  1602.86    116.051  1616.71    163.238  1588.71    165.019  114.259 5.9082  113.215 6.0288  1.043449       8.441173 
1 1 1 -14 28  8  o 62.147  4.2857  475.552    64.232   381.398    89.114   577.359    92.665   54.971  6.8282  68.158  5.6542  -13.18715      8.865322 
1 1 1 -14 28  9  o 38.520  5.4738  186.683    49.722   214.005    68.732   156.686    72.018   40.820  7.2027  34.521  8.6231  6.298508       11.23548 
1 1 1 -14 28  10 o 46.782  4.8703  272.323    54.473   286.669    75.242   256.522    78.965   47.500  6.7155  44.620  7.5638  2.880318       10.11475 
1 1 1 -14 28  11 o 57.809  4.5439  413.606    63.223   422.762    86.626   403.170    92.483   57.948  6.2604  56.354  6.9082  1.594002       9.322883 
1 1 1 -14 28  12 o 98.390  5.8456  1207.73    138.929  1185.33    171.294  1250.80    237.496  96.701  7.3556  97.491  10.190  -0.7898788     12.56783 
1 1 1 -14 28  13 o 91.278  5.8071  1041.18    127.946  966.707    156.555  1190.97    222.025  87.109  7.4795  95.234  9.7455  -8.125542      12.28489 
1 1 1 -14 28  14 o 40.245  7.4571  211.182    70.138   242.533    80.877   116.087    140.859  42.977  8.0517  32.598  12.577  10.37867       14.93324 
1 1 1 -14 28  15 f 21.404  8.0297  46.395     56.427   26.179     63.614   120.998    122.207  20.307  8.2507  31.932  11.849  -11.62497      14.43828 
1 1 1 -14 28  16 o 106.235 4.3357  1392.54    111.761  1277.20    155.216  1516.72    161.052  100.577 6.3935  109.844 6.0661  -9.267059      8.813316 
1 1 1 -14 28  17 f 36.939  7.1526  178.610    61.792   216.333    87.006   140.219    87.773   39.976  9.1655  32.311  10.091  7.665535       13.63199 
1 1 1 -14 28  18 o 45.782  6.2606  268.165    67.724   372.458    98.596   175.003    93.185   53.379  7.8465  35.664  10.234  17.71585       12.89583 
1 1 1 -14 28  19 o 19.941  7.7431  35.504     53.658   0.1728     80.716   63.481     71.827   20.376  8.8331  24.247  9.0665  -3.870258      12.65801 
1 1 1 -14 28  20 o 36.051  9.2048  177.718    80.798   -167.1963  167.550  282.230    92.230   22.773  10.868  45.903  8.5966  -23.13041      13.85694 
1 1 1 -14 28  21 o 32.440  9.5649  144.049    80.418   165.808    169.015  137.681    91.431   35.858  13.792  31.872  10.340  3.985720       17.23824 
1 1 1 -14 28  22 o 48.291  8.6157  314.029    97.250   213.479    188.253  350.630    113.579  38.717  14.636  50.509  9.6189  -11.79199      17.51380 
1 1 1 -14 28  23 o 26.562  9.3989  88.434     75.702   47.215     158.727  100.571    86.129   28.969  12.472  28.125  10.017  0.8434982      15.99709 
1 1 1 -14 28  24 o 62.996  5.2480  502.129    79.489   509.385    107.355  493.323    118.263  62.336  7.2320  60.682  8.2455  1.654404       10.96775 
1 1 1 -14 28  25 o 94.302  4.8495  1117.79    110.588  1151.45    149.881  1077.56    163.840  94.349  6.5884  90.404  7.5378  3.944702       10.01124 
1 1 1 -14 28  26 o 65.341  5.5047  545.288    86.461   732.062    122.651  360.786    121.902  74.802  6.8330  49.930  10.400  24.87212       12.44365 
1 1 1 -14 28  27 o 19.290  7.9256  25.509     59.527   77.564     89.391   -15.9683   79.793   25.835  10.004  18.859  8.4490  6.975613       13.09486 
1 1 1 -14 28  28 f 49.274  6.3003  318.923    73.601   425.316    105.500  218.045    102.729  55.771  8.0274  38.012  10.690  17.75947       13.36876 
1 1 1 -14 28  29 o 59.789  5.8636  464.828    83.969   517.213    118.666  412.294    118.835  61.256  8.1888  53.545  9.4942  7.710995       12.53780 
1 1 1 -14 28  30 o 23.911  8.9668  70.543     70.354   95.532     113.778  55.074     89.519   27.802  11.126  23.853  9.7502  3.948271       14.79347 
1 1 1 -14 28  31 o 33.590  10.734  173.076    98.808   173.076    98.808   0.0000     0.0000   33.590  10.734  ?       ?       0.000000       10.73408 
1 1 1 -14 28  32 o 32.912  10.756  165.709    98.855   165.709    98.855   0.0000     0.0000   32.912  10.756  ?       ?       0.000000       10.75573 
1 1 1 -14 28  33 o 43.573  10.282  285.752    106.954  273.214    116.023  356.672    275.940  41.779  11.211  41.042  16.984  0.7371330      20.35037 
1 1 1 -14 28  34 o 20.947  8.9640  21.726     81.089   15.488     85.384   79.092     258.911  20.958  9.0851  32.006  14.682  -11.04757      17.26552 
1 1 1 -14 28  35 o 16.078  7.3599  -28.7239   64.594   6.8060     82.465   -85.1339   103.908  20.122  8.8217  18.288  8.6794  1.833986       12.37558 
1 1 1 -14 28  36 o 13.585  6.5281  -76.6046   62.767   -85.7050   79.654   -61.6971   101.948  15.500  7.4231  18.825  8.8300  -3.324931      11.53565 
1 1 1 -14 28  37 o 32.635  12.044  176.064    125.923  313.382    273.904  139.263    141.797  37.538  16.272  30.377  12.327  7.161608       20.41392 
1 1 1 -14 29  1  o 76.900  4.1728  725.058    77.569   772.466    106.918  672.375    112.709  79.054  5.6104  73.523  6.3812  5.531029       8.496850 
1 1 1 -14 29  2  o 48.854  4.7763  295.326    55.894   296.737    75.301   293.593    83.410   48.560  6.5588  48.072  7.3873  0.4871941      9.878729 
1 1 1 -14 29  3  o 66.088  4.3093  536.914    68.723   528.727    94.633   546.049    99.966   65.167  6.0539  66.165  6.3029  -0.9972229     8.739408 
1 1 1 -14 29  4  o 49.964  4.7062  308.958    56.382   305.738    76.410   312.807    83.540   49.251  6.5569  49.659  7.1383  -0.4086838     9.692694 
1 1 1 -14 29  5  o 57.367  4.4191  405.866    61.038   364.609    83.604   452.958    89.322   53.826  6.5354  60.170  6.2073  -6.343578      9.013424 
1 1 1 -14 29  6  o 32.577  6.1813  135.718    47.072   157.295    65.630   112.858    67.552   34.716  7.9610  29.571  8.7786  5.145323       11.85077 
1 1 1 -14 29  7  o 21.741  7.0818  57.480     42.869   93.781     60.395   20.618     60.859   27.141  8.3531  19.675  8.0404  7.465967       11.59411 
1 1 1 -14 29  8  o 67.426  4.2937  560.476    69.881   553.902    98.498   567.138    99.159   66.469  6.1779  67.277  6.1421  -0.8078537     8.711637 
1 1 1 -14 29  9  o 82.902  4.1238  843.795    82.952   837.702    115.263  850.341    119.473  81.925  5.8365  82.474  6.0116  -0.5483932     8.378830 
1 1 1 -14 29  10 o 75.820  5.1963  714.646    95.020   789.013    109.110  481.189    193.321  79.496  5.6943  57.926  13.926  21.57053       15.04537 
1 1 1 -14 29  11 o 95.475  5.8391  1139.69    134.619  1077.61    165.259  1262.11    232.089  91.968  7.4702  97.870  9.9100  -5.901077      12.41013 
1 1 1 -14 29  12 o 65.400  6.0724  539.066    95.262   499.482    112.993  636.343    177.134  62.263  7.6395  68.400  11.050  -6.136398      13.43335 
1 1 1 -14 29  13 o 16.774  7.2472  -2.0527    53.972   36.054     60.962   -140.2301  116.084  20.858  8.2085  18.740  8.9712  2.118690       12.15988 
1 1 1 -14 29  14 o 23.200  8.3187  61.504     59.489   41.991     69.255   116.428    116.190  22.198  8.7448  31.218  11.559  -9.020449      14.49445 
1 1 1 -14 29  15 o 99.925  4.4433  1234.26    107.732  1319.75    153.940  1152.21    150.819  102.246 6.2347  95.313  6.5613  6.933289       9.051146 
1 1 1 -14 29  16 o 43.910  6.3604  247.592    65.794   305.823    96.323   196.663    90.082   47.908  8.6025  37.830  9.7519  10.07787       13.00388 
1 1 1 -14 29  17 o 43.304  6.3697  241.192    64.929   299.561    93.955   187.836    89.831   47.423  8.4764  36.907  9.8484  10.51614       12.99380 
1 1 1 -14 29  18 o 36.981  8.3341  184.078    72.993   255.948    155.208  163.669    82.710   41.676  13.468  34.522  9.5514  7.154621       16.51071 
1 1 1 -14 29  19 o 69.648  6.1976  617.427    103.642  561.255    212.479  634.964    118.723  60.331  14.659  70.153  7.0711  -9.822510      16.27551 
1 1 1 -14 29  20 o 63.107  7.1519  516.854    107.579  459.372    204.769  538.768    126.433  53.741  15.086  63.700  8.3837  -9.959850      17.25883 
1 1 1 -14 29  21 o 20.906  8.7719  20.714     75.108   -53.1867   160.363  41.480     85.009   25.217  11.563  23.332  9.5151  1.885590       14.97469 
1 1 1 -14 29  22 o 70.077  6.9060  637.765    115.900  722.900    213.523  602.205    137.999  69.175  13.203  66.820  8.7193  2.355225       15.82229 
1 1 1 -14 29  23 o 79.186  4.9930  790.131    95.443   793.659    127.862  785.693    143.430  78.136  6.8123  76.971  7.7870  1.165009       10.34622 
1 1 1 -14 29  24 o 72.487  5.2848  667.315    92.310   572.022    124.796  782.448    137.173  65.203  8.0596  76.892  7.4456  -11.68841      10.97244 
1 1 1 -14 29  25 o 20.800  8.0388  44.211     57.627   52.803     83.365   36.348     79.748   23.607  9.4963  22.119  9.1397  1.488232       13.18000 
1 1 1 -14 29  26 o 34.745  7.8654  167.219    64.766   184.139    93.638   151.700    89.677   35.222  10.303  32.191  10.220  3.030510       14.51181 
1 1 1 -14 29  27 o 64.098  5.5759  530.099    85.858   625.916    123.277  439.842    119.647  68.029  7.5981  55.653  9.1805  12.37625       11.91685 
1 1 1 -14 29  28 o 36.328  8.0207  185.331    68.810   114.872    101.733  244.749    93.422   28.755  10.783  40.779  9.6006  -12.02468      14.43741 
1 1 1 -14 29  29 o 51.735  6.4983  356.143    79.773   378.982    114.590  334.665    111.123  50.896  9.6317  47.461  9.9667  3.434910       13.86020 
1 1 1 -14 29  30 o 29.890  11.094  130.754    107.144  130.754    107.144  0.0000     0.0000   29.890  11.094  ?       ?       0.000000       11.09372 
1 1 1 -14 29  31 o 53.574  10.717  436.681    134.441  436.681    134.441  0.0000     0.0000   53.574  10.717  ?       ?       0.000000       10.71653 
1 1 1 -14 29  32 o 20.397  8.7980  16.450     79.277   34.736     84.512   -117.5723  228.798  22.027  9.2767  26.087  12.516  -4.059969      15.57942 
1 1 1 -14 29  33 o 38.964  8.5966  217.661    79.095   235.467    101.005  189.432    127.178  39.180  10.437  34.257  12.176  4.923622       16.03693 
1 1 1 -14 29  34 o 29.946  8.9925  131.199    70.584   68.666     89.284   235.413    115.261  24.598  9.8513  38.170  11.498  -13.57230      15.14092 
1 1 1 -14 29  35 o 14.434  6.8537  -62.5954   64.948   -68.9659   79.923   -50.2089   111.446  16.110  7.6359  20.055  9.3498  -3.944681      12.07163 
1 1 1 -14 29  36 o 32.843  12.045  181.939    125.666  494.932    272.902  97.711     141.568  43.878  17.336  27.999  11.909  15.87888       21.03249 
1 1 1 -14 30  1  o 77.876  4.1638  744.654    78.394   714.708    108.010  777.990    113.960  75.828  5.9172  79.112  5.9808  -3.284096      8.413342 
1 1 1 -14 30  2  o 52.920  4.5736  346.212    58.150   311.398    78.092   389.542    87.121   49.644  6.6501  55.634  6.5813  -5.990196      9.356155 
1 1 1 -14 30  3  o 50.070  4.7922  310.967    57.510   324.909    78.507   294.821    84.484   50.732  6.5293  47.992  7.5006  2.740093       9.944379 
1 1 1 -14 30  4  o 63.855  4.3186  502.621    66.518   445.471    91.603   566.370    96.748   59.511  6.4469  67.332  5.9842  -7.821178      8.796176 
1 1 1 -14 30  5  f 70.970  4.2607  620.482    73.031   667.366    101.021  569.156    105.700  73.172  5.7359  67.258  6.5604  5.913765       8.714324 
1 1 1 -14 30  6  o 46.055  5.0039  264.703    55.018   279.414    73.877   246.384    82.439   46.842  6.6900  43.464  8.1153  3.377705       10.51737 
1 1 1 -14 30  7  o 69.664  4.2210  598.570    71.013   604.138    99.553   592.802    101.325  69.430  5.9674  68.707  6.1427  0.7235107      8.564000 
1 1 1 -14 30  8  o 113.552 5.0568  1595.31    139.328  1592.54    162.366  1603.06    271.348  112.890 5.9485  110.175 10.269  2.715096       11.86713 
1 1 1 -14 30  9  o 136.671 6.2573  2338.70    207.504  2291.30    263.335  2416.35    337.022  133.628 8.1608  135.027 10.366  -1.398193      13.19274 
1 1 1 -14 30  10 f 33.013  8.1423  144.953    64.815   122.869    73.916   218.437    134.832  30.468  9.2142  39.551  12.529  -9.082203      15.55203 
1 1 1 -14 30  11 o 42.287  7.2822  232.793    72.024   259.828    83.037   150.669    144.726  44.444  7.9941  34.752  12.894  9.691628       15.17133 
1 1 1 -14 30  12 o 28.968  8.6381  111.138    65.299   135.430    73.795   23.484     140.178  31.733  9.1076  27.238  11.724  4.494825       14.84585 
1 1 1 -14 30  13 o 9.7492  4.7514  -64.2318   36.366   -64.8696   49.613   -63.4912   53.461   12.276  5.8738  13.011  6.1898  -0.7351265     8.533180 
1 1 1 -14 30  14 o 93.747  4.5267  1088.25    102.968  1100.45    143.587  1075.33    147.738  93.148  6.3917  91.897  6.6711  1.250771       9.238868 
1 1 1 -14 30  15 o 50.744  5.8416  327.171    70.612   370.803    104.744  290.825    95.601   52.853  8.4525  46.526  8.7905  6.326309       12.19500 
1 1 1 -14 30  16 o 72.580  4.8760  658.020    85.373   731.097    121.839  587.531    119.662  75.578  6.7139  67.288  7.4545  8.290077       10.03223 
1 1 1 -14 30  17 o 22.912  8.6777  54.806     66.258   151.905    153.739  32.657     73.427   34.539  13.185  21.702  8.8461  12.83670       15.87795 
1 1 1 -14 30  18 o 47.381  8.5178  301.966    94.325   495.972    180.858  229.478    110.551  57.541  13.230  40.029  11.029  17.51183       17.22457 
1 1 1 -14 30  19 o 106.714 6.5257  1457.90    168.159  1322.54    288.477  1527.57    206.958  94.922  12.856  107.886 7.9622  -12.96355      15.12179 
1 1 1 -14 30  20 o 62.345  7.2404  508.821    107.490  599.425    207.206  475.461    125.731  61.972  14.098  59.073  9.0611  2.899979       16.75841 
1 1 1 -14 30  21 o 67.635  5.3724  580.368    87.441   650.757    121.089  503.666    126.402  70.472  7.1818  60.804  8.8254  9.668163       11.37834 
1 1 1 -14 30  22 o 68.179  5.3420  590.992    87.666   572.347    119.821  612.469    128.602  65.541  7.6801  67.573  7.9987  -2.031883      11.08890 
1 1 1 -14 30  23 o 115.023 4.8462  1665.15    135.253  1708.70    185.169  1615.33    198.032  114.506 6.6938  110.446 7.4329  4.060402       10.00269 
1 1 1 -14 30  24 o 71.055  5.2980  644.749    90.685   631.166    124.314  660.198    132.581  68.543  7.6028  69.788  7.9726  -1.245239      11.01660 
1 1 1 -14 30  25 o 74.520  5.3301  711.391    95.740   773.610    131.216  640.557    140.006  76.124  7.1890  67.828  8.7080  8.296143       11.29212 
1 1 1 -14 30  26 o 48.321  6.7835  312.574    77.342   304.284    105.322  322.276    113.944  45.441  9.8375  46.326  10.393  -0.8852119     14.31028 
1 1 1 -14 30  27 o 41.108  7.6374  234.076    73.374   182.062    109.203  276.884    99.068   34.018  11.314  43.250  9.6816  -9.232258      14.89077 
1 1 1 -14 30  28 o 24.695  8.7348  82.244     65.376   55.796     100.939  101.356    85.806   24.434  10.204  27.052  9.9485  -2.618731      14.25141 
1 1 1 -14 30  29 o 31.143  11.120  148.729    106.202  148.729    106.202  0.0000     0.0000   31.143  11.120  ?       ?       0.000000       11.12033 
1 1 1 -14 30  30 o 27.403  10.890  97.129     108.284  97.129     108.284  0.0000     0.0000   27.403  10.890  ?       ?       0.000000       10.89032 
1 1 1 -14 30  31 o 38.129  11.400  233.598    113.625  201.892    126.988  360.907    254.461  35.045  12.190  40.887  16.540  -5.841869      20.54707 
1 1 1 -14 30  32 o 51.464  6.9531  358.297    84.603   281.815    111.833  460.642    129.366  42.487  10.819  55.707  9.9351  -13.22026      14.68867 
1 1 1 -14 30  33 o 24.699  8.7988  82.865     66.451   105.745    83.586   43.564     109.546  27.258  9.8499  24.129  10.375  3.128807       14.30580 
1 1 1 -14 30  34 o 27.956  9.3596  115.449    74.715   83.280     94.244   169.873    122.583  25.611  10.166  32.224  11.885  -6.612185      15.63926 
1 1 1 -14 30  35 o 31.972  11.578  170.805    115.578  492.666    254.100  86.843     129.781  44.228  16.935  26.870  11.415  17.35783       20.42337 
1 1 1 -14 31  1  o 14.044  6.0736  -3.5767    37.983   -6.3325    47.480   1.3218     63.301   15.506  6.7481  18.494  7.9173  -2.988419      10.40297 
1 1 1 -14 31  2  o 82.068  4.1386  828.523    82.148   828.445    113.007  828.609    119.623  81.548  5.7480  81.423  6.0991  0.1249466      8.380866 
1 1 1 -14 31  3  o 39.849  5.4566  200.073    51.374   233.704    69.308   159.063    76.535   42.685  6.9295  34.598  9.0231  8.086929       11.37692 
1 1 1 -14 31  4  o 28.561  6.8078  106.248    46.511   117.630    62.694   92.316     69.363   29.915  8.3296  27.212  9.0153  2.702862       12.27428 
1 1 1 -14 31  5  o 72.425  4.2585  647.425    74.507   634.917    103.514  660.871    107.328  71.105  6.0575  72.513  6.1583  -1.407784      8.638136 
1 1 1 -14 31  6  o 63.804  6.1677  513.366    94.294   493.674    113.016  558.478    171.056  61.920  7.6876  63.838  11.465  -1.918018      13.80343 
1 1 1 -14 31  7  o 66.631  6.1121  559.918    97.716   545.428    117.376  592.636    176.377  65.109  7.5711  65.638  11.493  -0.5293198     13.76280 
1 1 1 -14 31  8  o 36.273  8.0936  174.826    69.425   199.602    80.608   103.649    136.625  38.561  8.8082  31.448  12.315  7.113350       15.14106 
1 1 1 -14 31  9  o 8.5298  4.3024  -134.1660  41.891   -158.0948  45.917   -15.3764   102.306  8.6733  4.3884  21.968  9.7204  -13.29480      10.66505 
1 1 1 -14 31  10 o 22.202  8.1412  53.931     57.403   8.5826     64.279   232.546    127.568  18.949  8.0412  40.412  12.079  -21.46275      14.51064 
1 1 1 -14 31  11 o 38.296  5.6895  187.272    51.261   157.207    69.143   223.965    76.385   34.168  8.3992  41.092  7.9485  -6.923454      11.56400 
1 1 1 -14 31  12 o 60.850  5.0091  463.749    73.301   440.108    105.490  485.820    101.929  58.076  7.6740  61.424  6.9620  -3.348232      10.36144 
1 1 1 -14 31  13 o 61.275  5.1423  471.294    75.747   544.059    111.016  407.911    103.612  64.887  7.1710  55.737  7.8811  9.150707       10.65529 
1 1 1 -14 31  14 o 15.536  6.8062  -7.0791    49.008   5.1712     80.038   -14.4265   61.986   20.528  8.8474  16.999  7.5417  3.529789       11.62556 
1 1 1 -14 31  15 o 53.519  5.6855  363.721    72.701   396.588    105.419  333.912    100.394  54.674  8.1992  49.877  8.6064  4.796997       11.88686 
1 1 1 -14 31  16 o 50.104  8.0076  333.630    94.072   215.345    171.491  384.544    112.511  38.541  14.081  53.273  9.0264  -14.73231      16.72558 
1 1 1 -14 31  17 o 44.205  8.3838  264.022    86.635   359.276    166.123  228.437    101.535  48.210  13.607  40.086  10.363  8.123783       17.10393 
1 1 1 -14 31  18 o 50.602  7.9916  342.382    94.864   360.142    187.998  336.315    109.878  47.090  14.778  49.216  9.5457  -2.125656      17.59299 
1 1 1 -14 31  19 o 59.825  7.3665  472.014    104.672  157.325    195.318  598.804    123.978  35.138  14.387  67.190  7.7465  -32.05185      16.34005 
1 1 1 -14 31  20 o 47.959  6.1883  298.786    70.333   251.369    101.875  341.969    97.219   41.725  10.158  50.142  8.2797  -8.416687      13.10474 
1 1 1 -14 31  21 o 66.026  5.3704  556.114    85.291   490.969    118.996  624.942    122.313  59.965  8.4097  68.506  7.4799  -8.541187      11.25481 
1 1 1 -14 31  22 o 81.569  5.0791  845.158    100.026  861.360    135.119  825.513    148.784  80.794  6.9603  78.141  7.9582  2.653481       10.57260 
1 1 1 -14 31  23 o 21.987  8.2855  55.634     60.212   93.539     85.688   18.662     84.628   26.755  9.9228  21.223  9.1218  5.532438       13.47846 
1 1 1 -14 31  24 o 45.242  6.7811  274.362    72.146   263.932    100.512  285.448    103.619  42.136  9.9841  43.895  9.9576  -1.758766      14.10089 
1 1 1 -14 31  25 o 27.126  8.6317  104.388    63.945   164.891    88.115   37.073     92.943   33.024  10.077  22.819  9.6756  10.20566       13.96988 
1 1 1 -14 31  26 o 17.859  7.5313  16.371     55.820   -62.2799   87.771   69.785     72.332   17.337  8.1517  23.770  9.0513  -6.433268      12.18098 
1 1 1 -14 31  27 o 15.557  6.9271  -9.0339    52.769   8.5644     96.135   -16.6227   63.129   21.324  9.4296  16.492  7.4409  4.831900       12.01182 
1 1 1 -14 31  28 o 24.681  9.3021  79.158     75.898   120.529    97.260   14.731     121.371  28.705  10.586  23.490  10.479  5.214973       14.89579 
1 1 1 -14 31  29 o 33.570  11.578  182.193    114.432  182.193    114.432  0.0000     0.0000   33.570  11.578  ?       ?       0.000000       11.57763 
1 1 1 -14 31  30 o 52.286  10.127  411.454    123.833  441.385    140.373  306.425    262.952  52.974  11.267  38.207  16.241  14.76622       19.76659 
1 1 1 -14 31  31 o 13.602  6.6155  -102.1684  69.505   -0.9981    93.778   -225.4859  103.535  20.608  9.2013  14.560  7.2609  6.048347       11.72111 
1 1 1 -14 31  32 o 19.287  8.1738  21.622     66.274   -63.4399   82.544   175.917    111.172  16.603  7.8364  32.934  11.408  -16.33134      13.84061 
1 1 1 -14 31  33 o 17.296  8.2155  -74.8640   93.490   77.733     226.979  -106.0419  102.597  29.639  13.652  17.218  8.2916  12.42027       15.97239 
1 1 1 -14 31  34 o 21.066  9.5452  -2.2703    105.169  -32.3948   252.091  4.0775     115.721  27.230  13.085  22.095  10.012  5.134865       16.47561 
1 1 1 -14 32  1  o 58.398  4.5714  422.740    64.259   410.180    86.073   438.555    96.585   56.967  6.3342  58.709  6.9126  -1.742210      9.375862 
1 1 1 -14 32  2  o 41.232  5.3641  214.209    52.395   115.940    70.757   333.505    77.961   29.750  9.0193  51.248  6.4098  -21.49753      11.06491 
1 1 1 -14 32  3  o 70.676  4.2449  617.090    72.458   573.245    99.775   666.018    105.398  67.438  6.1657  72.788  6.0218  -5.350563      8.618476 
1 1 1 -14 32  4  o 28.499  8.4720  106.665    62.884   116.733    72.462   75.950     126.562  29.787  9.1466  29.238  11.722  0.5490398      14.86838 
1 1 1 -14 32  5  o 71.674  6.0196  647.500    103.718  603.472    125.260  743.521    184.984  68.386  7.6818  74.141  10.583  -5.755051      13.07722 
1 1 1 -14 32  6  o 71.927  6.0853  653.431    105.207  668.551    127.030  620.410    187.729  72.116  7.3629  66.462  12.086  5.653374       14.15239 
1 1 1 -14 32  7  o 32.132  8.1444  138.202    63.581   154.286    72.464   84.400     132.532  33.801  8.7628  29.886  11.991  3.914719       14.85130 
1 1 1 -14 32  8  o 56.325  6.4096  405.232    86.037   347.281    100.904  559.586    164.678  51.179  8.4184  63.487  11.094  -12.30892      13.92645 
1 1 1 -14 32  9  o 18.670  6.8182  37.329     40.203   100.057    54.482   -37.6672   59.571   27.459  7.8073  15.290  7.0244  12.16938       10.50216 
1 1 1 -14 32  10 o 91.376  4.5664  1035.60    101.244  1096.59    139.865  968.455    146.745  92.974  6.2360  86.842  7.0243  6.131554       9.393016 
1 1 1 -14 32  11 o 75.906  4.7934  719.248    87.830   773.697    123.249  663.067    125.195  77.786  6.5921  71.552  7.3139  6.233971       9.846209 
1 1 1 -14 32  12 o 67.056  4.8721  562.760    78.731   594.390    112.624  532.530    110.104  67.891  6.9342  64.079  7.2065  3.811676       10.00084 
1 1 1 -14 32  13 o 27.711  8.0336  102.754    57.159   114.676    91.442   95.108     73.228   29.678  10.343  27.202  9.2651  2.476652       13.88597 
1 1 1 -14 32  14 o 46.947  10.193  309.291    112.781  108.752    220.906  379.989    131.163  34.623  14.805  51.776  10.790  -17.15240      18.32033 
1 1 1 -14 32  15 o 46.567  7.6525  287.991    83.461   -47.5283   165.703  402.043    96.611   25.749  11.787  55.326  7.3807  -29.57740      13.90746 
1 1 1 -14 32  16 o 37.208  8.6679  190.731    76.801   134.748    158.429  207.928    87.808   33.101  13.167  38.502  9.4656  -5.400475      16.21644 
1 1 1 -14 32  17 o 54.061  7.5783  388.304    96.676   252.754    190.857  435.086    112.124  39.966  14.812  56.738  8.3981  -16.77225      17.02688 
1 1 1 -14 32  18 o 39.245  6.9384  204.814    63.653   240.754    92.208   172.095    87.980   41.254  9.4188  34.608  9.9478  6.646282       13.69938 
1 1 1 -14 32  19 o 36.882  7.4457  184.510    64.337   197.969    95.588   173.364    86.990   36.738  10.305  34.606  9.8743  2.132278       14.27226 
1 1 1 -14 32  20 o 23.491  8.1556  70.939     56.829   -7.9680    88.215   126.918    74.302   20.162  8.9684  29.903  9.2753  -9.741329      12.90207 
1 1 1 -14 32  21 o 25.269  8.4632  86.294     61.090   147.643    88.198   29.718     84.697   31.707  10.142  21.930  9.2641  9.776474       13.73652 
1 1 1 -14 32  22 o 22.798  8.0051  67.019     54.825   191.811    76.940   -61.6981   78.141   36.541  8.7858  16.343  7.6865  20.19846       11.67365 
1 1 1 -14 32  23 o 15.063  6.7734  -15.1612   51.805   -41.6656   74.130   10.140     72.427   16.662  7.7191  19.310  8.3689  -2.648191      11.38522 
1 1 1 -14 32  24 o 36.031  7.5890  181.649    64.253   86.816     93.213   267.499    88.689   26.073  10.183  43.031  8.7913  -16.95802      13.45277 
1 1 1 -14 32  25 o 42.931  6.9646  251.769    70.063   194.958    98.094   310.934    100.105  35.179  10.609  45.926  9.3022  -10.74684      14.10991 
1 1 1 -14 32  26 o 25.128  8.4318  88.656     60.639   115.776    92.432   68.164     80.346   28.152  10.330  23.905  9.4185  4.247463       13.97884 
1 1 1 -14 32  27 o 30.488  10.831  143.948    100.615  146.432    111.782  133.346    230.942  30.658  11.341  31.829  14.308  -1.170582      18.25736 
1 1 1 -14 32  28 o 23.731  10.155  44.308     104.058  44.308     104.058  0.0000     0.0000   23.731  10.155  ?       ?       0.000000       10.15499 
1 1 1 -14 32  29 o 15.404  7.5290  -138.7233  93.221   -208.0506  103.290  165.750    216.462  14.859  7.3845  32.788  14.335  -17.92852      16.12562 
1 1 1 -14 32  30 o 32.251  9.6763  158.772    81.754   304.098    107.800  -37.9647   125.427  44.436  10.212  21.565  10.008  22.87139       14.29884 
1 1 1 -14 32  31 o 80.103  5.8777  846.022    113.443  671.358    149.575  1082.55    174.059  67.360  9.4083  87.315  8.3161  -19.95554      12.55681 
1 1 1 -14 32  32 o 33.079  12.310  191.737    132.102  -12.4420   268.857  256.718    151.674  28.321  13.583  36.799  13.273  -8.477140      18.99145 
1 1 1 -14 33  1  o 35.887  7.6970  169.990    65.013   235.364    73.398   -68.1017   140.072  42.503  7.3850  23.537  10.798  18.96667       13.08158 
1 1 1 -14 33  2  o 24.887  8.2528  77.427     58.121   66.993     64.710   120.971    132.201  24.145  8.6741  32.272  12.249  -8.127113      15.00943 
1 1 1 -14 33  3  o 77.711  6.0494  762.168    113.168  896.574    135.817  456.927    204.676  83.947  6.7243  54.737  14.976  29.21055       16.41675 
1 1 1 -14 33  4  o 51.606  6.6469  341.855    81.296   355.828    93.963   300.260    162.123  52.225  7.6410  45.032  13.652  7.193573       15.64523 
1 1 1 -14 33  5  o 38.001  7.9577  192.391    71.022   191.007    82.537   196.340    139.404  37.423  9.1631  37.449  12.783  -0.2569962E-01 15.72827 
1 1 1 -14 33  6  o 70.525  6.1239  631.298    103.753  600.339    124.657  701.099    187.177  67.908  7.7016  70.913  11.254  -3.005516      13.63719 
1 1 1 -14 33  7  o 45.261  5.2429  259.000    56.512   262.693    77.297   254.760    82.830   44.747  7.3764  43.728  8.1051  1.018784       10.95920 
1 1 1 -14 33  8  o 83.389  4.6264  866.141    93.241   843.727    126.874  892.464    137.491  81.292  6.4862  83.380  6.8567  -2.087799      9.438500 
1 1 1 -14 33  9  o 82.726  4.7024  853.653    94.000   815.727    128.082  897.930    138.388  79.763  6.6794  83.569  6.8861  -3.806480      9.593356 
1 1 1 -14 33  10 o 77.718  4.8128  755.129    90.311   812.729    126.338  694.941    129.145  79.627  6.5985  73.105  7.3817  6.521126       9.900945 
1 1 1 -14 33  11 o 43.815  6.1020  247.210    63.111   258.999    89.729   235.668    88.783   43.621  8.7816  41.414  9.0850  2.206509       12.63541 
1 1 1 -14 33  12 o 57.066  5.2599  411.636    72.012   447.868    103.442  377.565    100.311  58.408  7.4701  53.270  8.0085  5.137577       10.95165 
1 1 1 -14 33  13 o 45.085  8.0175  272.914    84.495   386.720    172.234  236.844    96.964   49.693  13.795  40.983  9.8689  8.710495       16.96194 
1 1 1 -14 33  14 o 35.187  8.7080  171.299    73.945   6.8590     153.457  221.026    84.388   26.701  11.855  39.951  8.9299  -13.24976      14.84221 
1 1 1 -14 33  15 o 37.678  8.5820  196.273    76.706   -56.5341   159.073  272.865    87.558   24.679  11.389  44.719  8.3772  -20.04045      14.13806 
1 1 1 -14 33  16 o 30.490  8.9783  129.939    70.898   -109.2681  153.440  194.872    79.943   22.511  10.643  37.253  8.9548  -14.74233      13.90916 
1 1 1 -14 33  17 o 20.101  7.8312  39.337     55.027   21.940     83.157   52.888     73.393   21.477  9.1312  22.880  9.0059  -1.403154      12.82516 
1 1 1 -14 33  18 o 19.744  7.6239  39.432     51.798   -89.8212   86.666   111.261    64.606   16.432  7.8347  28.226  8.6315  -11.79404      11.65705 
1 1 1 -14 33  19 o 55.329  5.6226  395.825    74.434   313.201    109.460  466.896    101.520  46.165  10.057  58.994  7.2444  -12.82890      12.39413 
1 1 1 -14 33  20 o 17.632  7.4835  12.447     55.685   56.613     84.246   -21.8214   74.208   23.628  9.5317  17.717  8.0237  5.910885       12.45923 
1 1 1 -14 33  21 o 44.738  6.6118  268.356    69.611   266.289    100.507  270.263    96.505   42.129  9.9847  42.824  9.5328  -0.6944427     13.80464 
1 1 1 -14 33  22 o 25.076  8.1325  87.752     56.558   10.885     79.892   164.980    80.079   20.013  8.7306  33.173  9.4769  -13.16024      12.88548 
1 1 1 -14 33  23 o 33.844  7.5789  161.581    60.690   88.357     89.780   223.197    82.357   25.908  10.028  38.979  8.9030  -13.07097      13.40987 
1 1 1 -14 33  24 o 17.690  7.4625  17.001     54.831   -40.2666   87.507   54.019     70.355   18.074  8.3782  22.117  8.7819  -4.043062      12.13739 
1 1 1 -14 33  25 o 35.966  7.7038  183.620    65.204   229.740    92.634   138.329    91.797   38.638  9.8509  29.942  10.367  8.695610       14.30093 
1 1 1 -14 33  26 o 28.863  10.497  125.934    95.151   117.535    102.882  175.595    250.175  28.288  10.789  33.047  14.870  -4.759020      18.37231 
1 1 1 -14 33  27 o 28.630  11.134  119.927    111.087  119.927    111.087  0.0000     0.0000   28.630  11.134  ?       ?       0.000000       11.13426 
1 1 1 -14 33  28 o 25.177  9.9489  80.169     89.895   80.686     97.462   77.220     232.688  25.532  10.269  30.015  13.824  -4.483473      17.22068 
1 1 1 -14 33  29 o 25.966  9.7155  94.142     82.504   -9.6399    107.021  246.172    129.531  21.126  9.5944  37.533  12.314  -16.40728      15.61067 
1 1 1 -14 33  30 o 50.821  7.7308  364.617    92.326   390.843    123.247  331.079    139.371  49.793  10.530  43.196  12.551  6.597332       16.38309 
1 1 1 -14 33  31 o 54.657  12.048  510.363    155.479  333.207    282.417  587.406    186.243  36.207  16.079  56.001  13.796  -19.79421      21.18662 
1 1 1 -14 34  1  o 35.125  7.9966  164.993    66.625   150.681    75.118   217.772    144.251  33.299  9.0572  39.051  13.004  -5.751827      15.84722 
1 1 1 -14 34  2  o 35.329  7.8336  166.632    65.390   222.578    73.463   -46.7510   143.472  41.035  7.6599  24.376  11.085  16.65922       13.47436 
1 1 1 -14 34  3  o 57.446  6.4963  423.039    88.959   415.962    105.305  440.674    166.240  56.242  7.9371  54.825  12.739  1.417648       15.00968 
1 1 1 -14 34  4  o 56.083  4.6444  393.145    62.631   335.745    85.920   458.229    91.491   50.769  7.1746  59.823  6.4023  -9.053783      9.615844 
1 1 1 -14 34  5  o 20.342  7.0580  49.053     42.559   47.654     55.623   51.028     66.097   21.283  7.9746  22.527  8.6346  -1.244280      11.75373 
1 1 1 -14 34  6  o 23.684  8.1906  68.912     57.290   26.662     90.334   97.340     74.098   22.885  9.6121  27.456  9.3202  -4.570715      13.38873 
1 1 1 -14 34  7  o 71.008  5.1539  633.919    88.194   787.519    128.465  496.988    121.295  78.183  6.8407  61.076  8.4077  17.10678       10.83905 
1 1 1 -14 34  8  o 51.338  5.7574  336.135    70.482   214.890    99.240   459.538    100.119  38.932  10.334  59.430  7.0825  -20.49780      12.52774 
1 1 1 -14 34  9  o 67.389  4.9470  570.405    80.326   690.480    109.788  432.084    117.834  73.478  6.2162  56.493  8.8902  16.98514       10.84786 
1 1 1 -14 34  10 o 40.366  6.8805  214.344    64.973   230.007    93.430   199.676    90.416   40.499  9.6457  37.631  9.8039  2.867626       13.75343 
1 1 1 -14 34  11 o 15.508  7.0219  -24.4345   56.808   -106.2328  139.222  -8.0947    62.224   21.621  10.197  17.319  7.6262  4.301605       12.73296 
1 1 1 -14 34  12 o 16.268  7.2782  -17.0021   58.992   25.211     143.871  -25.5336   64.679   26.754  11.693  16.571  7.4991  10.18293       13.89070 
1 1 1 -14 34  13 o 67.649  6.6201  594.804    107.273  535.779    196.776  619.763    127.960  57.728  14.156  68.149  7.8839  -10.42186      16.20377 
1 1 1 -14 34  14 o 11.230  5.5087  -95.6212   51.266   -80.0627   128.194  -98.5832   55.934   21.225  9.9387  11.897  5.8186  9.328146       11.51670 
1 1 1 -14 34  15 o 29.675  7.8353  121.588    57.250   111.112    88.866   129.021    74.853   28.614  10.177  30.206  9.2998  -1.591915      13.78622 
1 1 1 -14 34  16 o 32.613  7.8181  147.445    61.062   228.471    93.935   88.151     80.356   39.545  9.8317  26.181  9.6275  13.36341       13.76049 
1 1 1 -14 34  17 f 66.086  5.1845  558.659    82.467   703.016    120.152  430.089    113.392  72.803  6.8833  55.426  8.7195  17.37701       11.10900 
1 1 1 -14 34  18 o 40.814  6.8520  224.694    65.452   333.482    98.050   137.252    87.906   48.602  8.6306  30.514  10.151  18.08738       13.32397 
1 1 1 -14 34  19 o 25.677  8.2453  92.047     58.247   217.000    90.066   2.2180     76.365   38.090  9.7146  19.218  8.4556  18.87215       12.87904 
1 1 1 -14 34  20 o 16.756  6.9451  17.398     46.252   -103.2598  79.532   79.061     56.856   14.880  7.1986  24.053  8.1641  -9.173334      10.88453 
1 1 1 -14 34  21 o 21.250  8.3872  48.774     63.817   4.8550     94.389   85.757     86.614   20.879  9.2827  25.550  9.8608  -4.671457      13.54264 
1 1 1 -14 34  22 o 44.770  7.3310  278.426    76.880   289.179    107.896  267.337    109.573  42.905  10.459  40.771  10.876  2.134045       15.08883 
1 1 1 -14 34  23 o 15.078  6.7665  -11.8248   51.413   -43.5067   84.783   6.6016     64.658   17.576  8.1811  17.985  7.8499  -0.4087601     11.33803 
1 1 1 -14 34  24 o 30.490  8.6452  138.245    66.899   96.613     100.731  171.100    89.485   26.591  10.524  32.896  10.175  -6.304764      14.63833 
1 1 1 -14 34  25 o 20.292  8.9648  9.2023     86.685   31.421     91.666   -178.7618  266.615  21.944  9.4629  25.647  12.577  -3.703081      15.73914 
1 1 1 -14 34  26 o 40.912  11.354  277.099    116.687  277.099    116.687  0.0000     0.0000   40.912  11.354  ?       ?       0.000000       11.35395 
1 1 1 -14 34  27 o 27.706  10.890  110.135    107.170  110.135    107.170  0.0000     0.0000   27.706  10.890  ?       ?       0.000000       10.88992 
1 1 1 -14 34  28 o 31.810  9.5463  156.588    79.565   126.735    103.488  199.743    124.426  28.724  10.853  33.910  12.044  -5.185663      16.21288 
1 1 1 -14 34  29 o 21.317  8.8789  42.016     76.124   -0.4452    95.975   114.043    124.999  20.415  9.1961  27.979  11.489  -7.564602      14.71608 
1 1 1 -14 34  30 o 31.408  12.047  175.914    128.733  77.756     262.039  207.141    147.798  29.139  13.816  32.974  12.838  -3.834869      18.85929 
1 1 1 -14 35  1  o 60.124  6.4480  463.822    92.599   486.146    109.952  409.364    171.734  60.946  7.6003  51.969  13.498  8.977703       15.49082 
1 1 1 -14 35  2  o 30.517  6.7604  123.179    48.740   115.782    62.608   134.559    77.656   29.277  8.3848  31.349  9.4364  -2.071402      12.62338 
1 1 1 -14 35  3  o 22.963  8.3274  61.011     59.821   58.860     90.271   62.695     79.878   25.045  9.9465  24.572  9.4733  0.4736519      13.73600 
1 1 1 -14 35  4  o 19.533  7.9032  27.180     58.106   -23.0698   88.270   65.605     77.188   19.779  8.8719  24.601  9.3545  -4.822508      12.89250 
1 1 1 -14 35  5  o 19.264  7.8071  25.989     56.800   133.981    89.775   -46.0973   73.348   31.274  10.251  16.767  7.7362  14.50771       12.84280 
1 1 1 -14 35  6  f 59.077  5.5214  443.051    78.229   465.886    116.083  424.051    105.885  59.008  8.3400  56.498  7.9433  2.510311       11.51742 
1 1 1 -14 35  7  o 52.360  5.8480  350.961    73.027   423.281    106.615  287.043    100.232  56.350  8.0243  45.481  9.3936  10.86872       12.35430 
1 1 1 -14 35  8  o 77.279  4.9454  750.808    92.246   787.742    126.783  709.261    134.466  78.001  6.7658  73.342  7.6695  4.659416       10.22729 
1 1 1 -14 35  9  o 31.552  9.2767  138.859    75.740   259.149    145.062  93.777     88.806   40.966  12.997  27.462  10.118  13.50435       16.47088 
1 1 1 -14 35  10 o 31.717  9.3506  141.174    76.860   1.6524     155.328  186.411    88.447   26.456  11.825  36.122  9.8292  -9.666018      15.37654 
1 1 1 -14 35  11 o 29.876  9.4159  124.442    76.233   50.951     156.521  147.296    87.285   28.433  12.313  32.149  10.066  -3.715660      15.90421 
1 1 1 -14 35  12 o 65.727  6.8310  566.970    107.349  472.418    195.299  607.905    128.503  52.898  14.692  67.131  8.0495  -14.23364      16.75247 
1 1 1 -14 35  13 o 26.980  8.0024  100.157    56.154   154.089    86.281   60.526     73.962   32.578  9.9769  23.504  9.1006  9.074177       13.50411 
1 1 1 -14 35  14 o 52.428  5.7620  356.283    72.091   328.235    108.871  378.184    96.203   47.634  9.7479  52.745  7.7479  -5.110775      12.45202 
1 1 1 -14 35  15 o 47.668  6.0251  297.827    68.131   364.495    102.232  244.558    91.382   51.026  8.5604  41.045  9.3805  9.980629       12.69937 
1 1 1 -14 35  16 o 61.989  5.2792  494.615    78.649   485.442    114.071  502.927    108.584  59.168  8.1630  60.791  7.5220  -1.623112      11.10022 
1 1 1 -14 35  17 o 56.089  5.6967  410.627    76.453   432.061    112.924  392.488    103.883  55.104  8.7373  52.775  8.3935  2.328529       12.11576 
1 1 1 -14 35  18 o 86.141  4.9982  952.152    104.020  1247.24    148.717  669.515    145.546  97.038  6.3512  68.177  9.0197  28.86049       11.03148 
1 1 1 -14 35  19 o 33.856  7.7271  163.020    62.078   177.118    93.600   151.948    82.945   33.530  10.412  31.484  9.8056  2.046097       14.30246 
1 1 1 -14 35  20 o 21.439  8.4338  51.715     64.329   64.750     87.241   36.181     95.234   23.837  9.6703  22.502  9.6741  1.335674       13.67854 
1 1 1 -14 35  21 o 31.648  8.5479  148.789    67.185   195.877    93.069   97.550     97.085   35.036  10.278  26.492  10.379  8.544216       14.60741 
1 1 1 -14 35  22 o 26.573  8.7421  103.934    65.265   -20.8660   85.755   275.732    100.614  18.610  8.5043  42.001  10.014  -23.39182      13.13775 
1 1 1 -14 35  23 o 20.602  8.9520  21.310     83.296   26.370     85.550   -70.9557   365.297  21.085  9.1170  29.541  14.533  -8.455584      17.15587 
1 1 1 -14 35  24 o 14.279  6.8977  -89.6836   72.384   -83.1057   75.410   -166.7282  258.083  14.888  7.1547  25.296  12.398  -10.40747      14.31457 
1 1 1 -14 35  25 o 22.761  9.5687  48.355     89.656   48.355     89.656   0.0000     0.0000   22.761  9.5687  ?       ?       0.000000       9.568733 
1 1 1 -14 35  26 o 14.463  6.9775  -88.2621   73.488   -88.2621   73.488   0.0000     0.0000   14.463  6.9775  ?       ?       0.000000       6.977462 
1 1 1 -14 35  27 o 24.087  9.3644  76.552     78.557   54.032     103.781  106.768    120.214  23.773  10.156  27.439  11.267  -3.665997      15.16887 
1 1 1 -14 35  28 o 22.065  10.027  5.8314     117.104  -191.9421  243.165  65.549     133.619  23.831  11.750  25.496  11.202  -1.664343      16.23396 
1 1 1 -14 35  29 o 21.701  9.8836  6.6857     114.601  3.1172     227.113  7.9047     132.740  26.321  12.587  22.802  10.479  3.518616       16.37794 
1 1 1 -14 36  1  o 75.723  4.7990  718.433    87.719   743.224    122.658  692.481    125.498  75.885  6.7314  72.932  7.1851  2.953865       9.845708 
1 1 1 -14 36  2  o 29.871  8.2178  121.516    61.429   119.011    90.552   123.652    83.609   29.852  10.299  30.141  9.8936  -0.2888260     14.28108 
1 1 1 -14 36  3  o 35.335  8.0102  169.610    67.092   147.918    100.546  187.021    90.080   32.550  10.858  36.340  9.9324  -3.790054      14.71526 
1 1 1 -14 36  4  o 19.055  7.8253  22.519     58.001   -25.4167   89.142   57.714     76.381   19.672  8.8619  23.764  9.2352  -4.092299      12.79932 
1 1 1 -14 36  5  o 40.222  7.1798  214.965    67.501   177.415    99.750   246.686    91.681   35.104  10.724  42.071  9.2344  -6.967564      14.15172 
1 1 1 -14 36  6  o 35.703  8.4512  175.822    72.077   168.591    150.615  177.970    82.087   34.647  13.093  35.529  9.3828  -0.8824081     16.10768 
1 1 1 -14 36  7  o 20.705  8.4595  31.094     67.346   -22.1967   140.818  46.898     76.685   24.473  11.071  22.808  9.1314  1.665228       14.35089 
1 1 1 -14 36  8  o 27.400  9.2282  100.868    72.636   173.982    140.388  74.140     84.880   34.569  12.723  25.497  9.7821  9.071440       16.04898 
1 1 1 -14 36  9  o 20.005  8.3786  21.729     68.323   75.405     145.348  6.5048     77.409   28.851  12.159  19.958  8.6509  8.893694       14.92248 
1 1 1 -14 36  10 o 59.617  7.2373  472.716    102.544  318.318    191.525  534.762    121.413  42.784  14.965  62.729  8.1708  -19.94494      17.05074 
1 1 1 -14 36  11 o 34.325  7.6633  162.249    62.209   80.768     89.415   238.695    86.607   25.997  10.023  41.035  8.9504  -15.03729      13.43760 
1 1 1 -14 36  12 o 46.628  6.3160  286.624    69.620   351.803    99.561   224.260    97.389   50.264  8.4641  38.777  10.210  11.48747       13.26234 
1 1 1 -14 36  13 o 50.567  6.0286  335.269    72.510   357.310    106.446  316.187    99.044   50.001  9.1094  47.055  9.0028  2.946117       12.80748 
1 1 1 -14 36  14 o 38.763  7.0408  204.849    63.784   150.456    98.345   244.340    83.798   31.509  10.737  41.350  8.6310  -9.841169      13.77609 
1 1 1 -14 36  15 o 71.395  5.1252  655.601    88.195   676.162    125.971  635.832    123.519  70.323  7.4983  68.068  7.6089  2.254517       10.68264 
1 1 1 -14 36  16 o 25.160  8.2241  88.984     57.794   150.448    89.941   45.755     75.428   31.260  10.261  21.894  8.9498  9.366434       13.61599 
1 1 1 -14 36  17 o 32.581  7.7910  151.908    60.759   71.154     96.613   204.744    78.148   24.833  10.137  37.244  8.7893  -12.41133      13.41712 
1 1 1 -14 36  18 o 16.908  7.4413  0.3759     59.176   -69.7864   84.828   66.886     82.591   16.516  7.8396  23.697  9.4804  -7.180447      12.30191 
1 1 1 -14 36  19 o 39.849  7.4913  224.747    69.775   167.556    96.175   288.298    101.383  32.111  10.615  43.053  9.9104  -10.94201      14.52189 
1 1 1 -14 36  20 o 40.283  7.5738  230.934    71.311   281.462    99.631   177.859    102.112  42.466  9.8587  32.681  10.942  9.784466       14.72817 
1 1 1 -14 36  21 o 51.292  7.0915  365.728    85.897   369.562    129.730  362.735    114.620  46.875  11.494  48.041  10.151  -1.166317      15.33474 
1 1 1 -14 36  22 o 28.159  10.658  122.657    99.903   85.611     103.627  610.543    376.065  25.650  10.488  41.213  18.411  -15.56260      21.18927 
1 1 1 -14 36  23 o 12.705  6.2690  -128.2030  69.675   -121.2336  72.268   -220.1126  262.440  13.240  6.5035  24.478  12.094  -11.23838      13.73181 
1 1 1 -14 36  24 o 32.615  10.294  172.099    91.085   172.099    91.085   0.0000     0.0000   32.615  10.294  ?       ?       0.000000       10.29374 
1 1 1 -14 36  25 o 17.927  8.1367  -14.1723   76.813   -14.1723   76.813   0.0000     0.0000   17.927  8.1367  ?       ?       0.000000       8.136656 
1 1 1 -14 36  26 o 27.287  9.1536  113.915    71.465   144.084    90.918   65.136     115.606  29.778  10.317  24.732  10.646  5.046541       14.82495 
1 1 1 -14 36  27 f 28.809  11.125  138.622    110.285  24.081     209.163  182.727    129.793  26.369  12.455  31.515  12.095  -5.145353      17.36118 
1 1 1 -14 37  1  o 69.519  5.0856  610.029    85.189   612.763    120.279  607.277    120.673  68.253  7.3803  67.898  7.4470  0.3550491      10.48459 
1 1 1 -14 37  2  o 70.888  5.0397  634.129    86.119   681.826    120.535  584.391    123.085  72.291  6.9576  66.300  7.8003  5.991066       10.45244 
1 1 1 -14 37  3  o 66.161  5.2160  554.715    83.055   552.420    118.236  556.951    116.695  64.451  7.7139  64.826  7.5610  -0.3749466     10.80150 
1 1 1 -14 37  4  o 52.911  7.7978  375.508    97.109   148.800    171.113  483.214    117.942  33.781  13.599  59.717  8.3696  -25.93625      15.96852 
1 1 1 -14 37  5  o 26.922  9.5041  94.853     77.363   12.569     145.230  127.453    91.413   26.057  11.553  30.270  10.352  -4.213421      15.51211 
1 1 1 -14 37  6  o 30.471  9.7106  131.159    80.907   106.200    151.350  141.145    95.734   30.654  12.621  31.457  10.594  -0.8026485     16.47813 
1 1 1 -14 37  7  o 24.564  9.0668  73.865     71.373   31.340     147.506  86.865     81.556   26.785  11.769  26.230  9.6900  0.5549450      15.24497 
1 1 1 -14 37  8  o 46.116  8.2913  293.835    89.367   414.655    172.513  249.521    104.478  49.870  13.793  40.965  10.471  8.905319       17.31732 
1 1 1 -14 37  9  o 55.090  5.7507  393.238    75.738   436.452    105.928  348.042    108.330  56.530  7.9417  49.323  9.3950  7.207855       12.30190 
1 1 1 -14 37  10 o 32.863  8.0775  152.035    63.953   113.505    90.486   190.491    90.399   28.492  10.255  35.719  10.022  -7.227396      14.33910 
1 1 1 -14 37  11 o 31.519  8.0109  140.488    61.396   177.606    86.181   102.237    87.486   34.459  9.8269  27.325  10.046  7.134176       14.05303 
1 1 1 -14 37  12 o 48.334  6.2520  310.078    71.604   330.674    105.659  292.584    97.375   47.451  9.5082  44.755  9.2719  2.696339       13.28057 
1 1 1 -14 37  13 o 23.873  8.2328  77.372     57.864   40.285     87.446   106.259    77.176   22.451  9.4448  27.220  9.5011  -4.768995      13.39678 
1 1 1 -14 37  14 o 39.766  7.1778  218.831    66.709   241.704    97.136   198.415    91.772   39.550  10.090  35.712  10.126  3.837955       14.29429 
1 1 1 -14 37  15 o 22.636  8.2979  66.928     59.628   192.416    89.331   -33.9136   80.080   35.072  10.006  17.497  8.0768  17.57490       12.85899 
1 1 1 -14 37  16 f 50.759  6.5804  350.532    79.138   329.885    110.912  371.946    112.953  45.891  10.222  49.300  9.7877  -3.408894      14.15267 
1 1 1 -14 37  17 o 28.035  8.8543  118.437    67.382   202.207    96.630   39.151     94.009   35.162  10.513  22.358  9.6120  12.80376       14.24494 
1 1 1 -14 37  18 o 22.353  8.4077  65.417     61.945   66.097     85.521   64.667     89.846   23.523  9.5628  23.635  9.7268  -0.1118107     13.64030 
1 1 1 -14 37  19 o 15.762  7.1820  -18.9696   60.596   -54.5514   81.183   25.793     91.056   16.537  7.7952  21.275  9.2998  -4.737785      12.13475 
1 1 1 -14 37  20 o 33.249  11.034  188.570    103.888  179.351    114.106  233.240    251.172  32.104  11.520  33.150  14.910  -1.046181      18.84200 
1 1 1 -14 37  21 o 17.971  8.3335  -33.6588   86.694   -19.5088   93.502   -120.3458  231.431  19.224  8.8204  24.580  11.981  -5.355890      14.87759 
1 1 1 -14 37  22 o 25.145  9.7150  88.663     84.143   142.773    88.306   -444.9500  277.309  29.813  10.174  22.240  11.199  7.572250       15.13088 
1 1 1 -14 37  23 o 15.736  7.4320  -55.2939   74.467   -55.2939   74.467   0.0000     0.0000   15.736  7.4320  ?       ?       0.000000       7.432044 
1 1 1 -14 37  24 o 19.036  8.4503  6.2471     77.930   6.2471     77.930   0.0000     0.0000   19.036  8.4503  ?       ?       0.000000       8.450327 
1 1 1 -14 37  25 o 23.604  10.039  60.987     100.573  233.158    181.888  -14.8357   120.704  33.176  13.764  21.289  9.8583  11.88744       16.92986 
1 1 1 -14 37  26 o 15.981  7.8068  -124.7506  99.815   -199.6099  177.916  -90.3666   120.579  20.096  9.9345  18.690  8.9975  1.406298       13.40337 
1 1 1 -14 38  1  o 50.853  7.1096  342.687    85.327   299.082    154.509  361.821    102.350  43.136  13.375  51.392  8.5053  -8.255619      15.84993 
1 1 1 -14 38  2  o 79.818  6.4905  827.953    124.613  656.690    205.760  927.153    156.598  64.293  13.614  83.253  7.8447  -18.95914      15.71205 
1 1 1 -14 38  3  o 35.146  9.4513  177.333    82.349   119.639    150.331  202.067    98.431   31.228  12.685  36.983  10.487  -5.754662      16.45848 
1 1 1 -14 38  4  o 53.669  7.8429  390.342    99.117   368.601    166.441  402.289    123.380  47.114  13.723  52.872  9.9833  -5.757759      16.97037 
1 1 1 -14 38  5  o 52.240  7.9918  372.738    98.079   491.749    176.748  319.787    117.896  54.971  13.378  46.309  10.706  8.662777       17.13455 
1 1 1 -14 38  6  o 54.926  6.3912  396.672    83.585   407.078    117.460  385.997    118.967  53.406  9.4079  51.602  9.8611  1.804176       13.62901 
1 1 1 -14 38  7  o 23.973  8.4195  75.168     60.650   227.590    85.606   -78.4401   85.939   39.749  9.0756  16.661  7.9030  23.08778       12.03424 
1 1 1 -14 38  8  o 42.041  6.8121  238.117    67.112   253.898    95.376   222.641    94.453   41.481  9.6566  38.514  10.014  2.967442       13.91144 
1 1 1 -14 38  9  o 20.190  7.8914  42.257     56.016   34.830     82.484   48.614     76.314   21.835  9.1787  22.337  9.0505  -0.5017567     12.89031 
1 1 1 -14 38  10 f 46.687  6.8742  295.474    75.541   460.471    116.529  175.875    99.212   56.771  8.7398  33.489  10.762  23.28256       13.86360 
1 1 1 -14 38  11 o 35.176  7.6693  174.856    63.613   243.696    89.502   104.579    90.431   40.436  9.3141  27.198  10.173  13.23801       13.79255 
1 1 1 -14 38  12 o 13.855  6.4633  -37.8714   53.387   26.483     82.127   -84.9667   70.256   20.980  9.0008  14.232  6.8555  6.747993       11.31430 
1 1 1 -14 38  13 o 26.738  8.3881  104.421    60.574   70.802     92.598   129.568    80.086   24.450  9.9464  29.093  9.6894  -4.642931      13.88578 
1 1 1 -14 38  14 o 21.297  8.6442  47.340     69.749   8.2802     94.652   93.754     103.179  20.769  9.2605  26.246  10.562  -5.477703      14.04707 
1 1 1 -14 38  15 o 27.041  9.0672  110.489    70.121   116.103    94.458   103.598    104.656  27.526  10.377  26.771  10.685  0.7557030      14.89452 
1 1 1 -14 38  16 o 32.539  9.0237  163.694    73.733   135.350    99.042   198.935    110.436  28.913  10.679  33.749  11.379  -4.836851      15.60491 
1 1 1 -14 38  17 o 16.732  7.5256  -8.4647    63.986   16.891     83.143   -45.2971   100.208  20.073  8.8274  18.700  8.7660  1.372833       12.44052 
1 1 1 -14 38  18 o 26.392  10.376  103.922    97.323   71.100     106.350  273.008    241.385  24.546  10.376  34.018  14.998  -9.472616      18.23684 
1 1 1 -14 38  19 o 22.072  9.5341  39.598     93.371   9.7257     101.420  205.697    239.154  21.066  9.4747  31.922  14.435  -10.85600      17.26690 
1 1 1 -14 38  20 o 13.727  6.7658  -137.0160  80.406   -151.2534  85.948   -37.1646   227.612  14.003  6.9191  25.783  12.400  -11.77996      14.19977 
1 1 1 -14 38  21 o 18.861  7.9707  25.496     62.737   -21.9196   87.996   74.513     89.470   18.541  8.5252  24.114  9.7893  -5.572466      12.98115 
1 1 1 -14 38  22 o 46.512  9.4527  336.036    103.044  336.036    103.044  0.0000     0.0000   46.512  9.4527  ?       ?       0.000000       9.452745 
1 1 1 -14 38  23 o 17.021  7.8622  -27.0846   76.061   -27.0846   76.061   0.0000     0.0000   17.021  7.8622  ?       ?       0.000000       7.862174 
1 1 1 -14 38  24 o 21.999  9.7323  33.664     102.508  -37.9800   191.700  62.353     121.308  23.915  11.470  24.281  10.671  -0.3658218     15.66601 
1 1 1 -14 38  25 o 39.930  11.739  299.800    121.293  136.372    225.066  366.695    143.993  28.414  13.260  42.561  12.858  -14.14794      18.47057 
1 1 1 -14 39  1  o 26.295  9.0993  92.852     70.713   -114.4788  138.093  166.539    82.326   20.830  9.9200  33.862  9.5865  -13.03220      13.79524 
1 1 1 -14 39  2  o 39.677  8.9747  224.540    84.379   153.345    148.010  258.819    102.703  32.646  12.809  41.797  10.214  -9.151226      16.38221 
1 1 1 -14 39  3  o 31.954  9.5100  148.851    79.203   176.197    141.802  136.451    95.486   33.818  12.721  30.607  10.575  3.210129       16.54210 
1 1 1 -14 39  4  o 27.674  8.7631  108.187    65.969   100.953    99.589   113.843    88.060   27.704  10.604  28.442  10.129  -0.7380009     14.66416 
1 1 1 -14 39  5  o 44.077  7.0956  263.588    73.312   288.683    109.251  243.031    98.880   43.609  10.460  40.149  10.146  3.459782       14.57177 
1 1 1 -14 39  6  o 44.846  6.9224  272.348    72.900   359.720    106.277  194.704    100.185  49.904  9.1126  35.341  10.736  14.56292       14.08205 
1 1 1 -14 39  7  f 23.413  8.3925  72.130     60.545   110.237    85.135   33.137     86.120   27.718  9.9502  21.915  9.3042  5.803354       13.62262 
1 1 1 -14 39  8  o 26.110  8.5491  97.270     62.443   45.302     88.051   149.847    88.566   22.740  9.5168  31.201  10.180  -8.461479      13.93552 
1 1 1 -14 39  9  o 45.247  6.7217  278.734    71.554   173.565    101.688  381.880    100.705  32.827  10.918  51.705  8.3085  -18.87803      13.71945 
1 1 1 -14 39  10 o 14.889  6.7112  -14.0479   51.211   -8.9476    74.824   -18.5423   70.239   18.135  8.1492  17.106  7.7702  1.029617       11.25990 
1 1 1 -14 39  11 o 17.272  7.3768  13.499     54.722   85.834     79.288   -52.2978   75.620   24.959  9.4832  16.085  7.5641  8.874168       12.13044 
1 1 1 -14 39  12 o 15.664  7.1941  -25.4759   62.415   106.799    81.340   -214.8885  97.335   26.683  9.7052  13.919  6.9567  12.76378       11.94096 
1 1 1 -14 39  13 o 18.819  8.1400  17.122     68.245   -45.8008   92.079   93.815     101.657  17.970  8.4173  25.905  10.463  -7.934237      13.42872 
1 1 1 -14 39  14 o 22.022  8.7959  58.548     70.968   41.523     97.060   78.107     104.031  22.391  9.6963  24.851  10.368  -2.459608      14.19522 
1 1 1 -14 39  15 o 40.510  8.2787  244.444    78.626   303.050    107.206  176.228    115.662  42.906  10.405  31.406  11.550  11.50028       15.54562 
1 1 1 -14 39  16 o 26.049  10.625  98.941     106.016  88.579     118.725  139.719    235.512  25.763  10.930  29.683  13.754  -3.920307      17.56857 
1 1 1 -14 39  17 o 23.268  9.9435  57.078     99.531   90.005     109.339  -102.1398  240.436  25.563  10.644  24.703  12.078  0.8598309      16.09834 
1 1 1 -14 39  18 o 12.495  6.2816  -216.7587  85.330   -287.7634  92.542   186.281    220.479  12.097  6.1322  30.923  13.933  -18.82579      15.22284 
1 1 1 -14 39  19 o 43.241  7.9881  274.384    80.723   259.064    108.885  293.080    120.285  38.685  11.050  40.524  11.627  -1.838902      16.04042 
1 1 1 -14 39  20 o 18.863  8.1481  19.811     68.200   -0.9809    92.096   45.056     101.483  19.747  8.9412  22.711  9.8747  -2.964071      13.32119 
1 1 1 -14 39  21 o 23.475  9.8343  65.920     94.164   65.920     94.164   0.0000     0.0000   23.475  9.8343  ?       ?       0.000000       9.834307 
1 1 1 -14 39  22 o 25.861  11.981  56.815     178.559  56.815     178.559  0.0000     0.0000   25.861  11.981  ?       ?       0.000000       11.98072 
1 1 1 -14 39  23 f 36.841  15.408  400.254    230.564  400.254    230.564  0.0000     0.0000   36.841  15.408  ?       ?       0.000000       15.40756 
1 1 1 -14 40  1  f 26.037  8.2544  94.485     58.518   125.856    89.236   70.815     77.512   29.428  10.220  24.281  9.3401  5.147701       13.84480 
1 1 1 -14 40  2  o 22.193  8.2689  59.782     59.640   32.671     94.074   78.001     77.119   22.635  9.6698  24.801  9.3695  -2.166409      13.46450 
1 1 1 -14 40  3  o 56.006  5.8550  411.449    78.390   402.121    114.209  419.758    107.790  52.575  9.2927  54.527  8.4182  -1.952278      12.53871 
1 1 1 -14 40  4  o 15.612  7.0844  -20.1353   58.197   9.3106     90.208   -41.1282   76.168   20.828  9.1762  16.842  7.8103  3.986509       12.05004 
1 1 1 -14 40  5  o 34.004  8.6432  169.768    71.466   226.457    105.005  120.849    97.543   37.564  10.888  28.588  10.590  8.976574       15.18891 
1 1 1 -14 40  6  o 42.117  7.3797  247.468    72.667   178.293    108.790  303.194    97.644   32.981  11.293  45.149  9.2249  -12.16767      14.58164 
1 1 1 -14 40  7  o 34.266  8.1775  171.210    67.044   184.957    94.048   157.005    95.601   33.957  10.419  31.326  10.587  2.631199       14.85389 
1 1 1 -14 40  8  o 22.007  8.1302  63.066     57.413   120.166    82.869   10.360     79.618   28.036  9.8420  19.614  8.6318  8.421602       13.09089 
1 1 1 -14 40  9  o 43.018  7.1834  259.724    72.336   232.717    98.313   291.602    106.810  37.823  10.392  42.517  10.432  -4.693699      14.72506 
1 1 1 -14 40  10 o 35.246  8.1994  184.300    68.801   128.778    94.340   247.379    100.556  28.403  10.434  38.787  10.450  -10.38373      14.76667 
1 1 1 -14 40  11 o 21.080  8.4719  50.564     66.281   35.338     84.361   75.123     107.139  21.199  9.1094  24.762  10.438  -3.562605      13.85375 
1 1 1 -14 40  12 o 18.658  8.1316  15.489     69.151   -128.3854  94.639   180.294    101.289  15.450  7.5589  32.189  10.897  -16.73901      13.26208 
1 1 1 -14 40  13 f 14.704  6.9563  -50.8704   65.723   -108.3857  88.951   18.278     97.533   15.377  7.4803  21.006  9.3809  -5.628824      11.99815 
1 1 1 -14 40  14 o 30.441  9.7648  152.735    81.709   195.531    121.592  117.498    110.334  32.252  11.845  27.097  10.916  5.154299       16.10831 
1 1 1 -14 40  15 o 34.729  11.548  222.676    113.768  225.266    127.621  212.650    251.074  34.066  12.187  31.148  14.351  2.917904       18.82773 
1 1 1 -14 40  16 o 23.760  10.166  64.949     104.263  23.834     116.174  235.178    236.389  22.331  10.083  31.882  14.390  -9.551819      17.57126 
1 1 1 -14 40  17 o 17.412  8.2662  -60.9408   94.390   -115.5765  102.945  227.410    236.497  16.536  8.0447  31.728  14.351  -15.19169      16.45158 
1 1 1 -14 40  18 o 13.603  6.5705  -78.1199   65.631   18.829     88.304   -197.7673  98.098   20.347  9.0155  14.160  7.0626  6.186589       11.45249 
1 1 1 -14 40  19 o 31.543  9.2614  160.253    75.536   187.710    100.895  125.237    113.940  32.543  10.877  27.532  11.093  5.011169       15.53523 
1 1 1 -14 40  20 o 19.906  9.0265  3.9516     94.264   3.9516     94.264   0.0000     0.0000   19.906  9.0265  ?       ?       0.000000       9.026476 
1 1 1 -14 40  21 o 28.990  13.228  165.644    206.481  165.644    206.481  0.0000     0.0000   28.990  13.228  ?       ?       0.000000       13.22787 
1 1 1 -14 40  22 o 44.972  11.102  365.607    120.410  470.263    228.981  325.607    141.562  38.643  15.670  38.832  12.880  -0.1885948     20.28416 
1 1 1 -14 41  1  o 47.113  6.3813  297.879    71.071   323.932    104.219  275.231    97.170   46.592  9.5398  42.792  9.5953  3.800350       13.53060 
1 1 1 -14 41  2  f 88.608  4.8837  1008.50    104.594  1152.16    149.805  871.860    146.101  92.490  6.7212  79.206  7.6993  13.28345       10.22029 
1 1 1 -14 41  3  o 47.638  6.6117  308.417    74.363   391.585    109.173  236.430    101.569  51.526  9.0632  38.417  10.566  13.10807       13.92065 
1 1 1 -14 41  4  o 45.468  6.8809  284.725    73.539   325.899    107.369  248.341    100.930  45.916  9.9266  39.408  10.403  6.507629       14.37891 
1 1 1 -14 41  5  o 51.871  6.1472  362.223    75.863   368.217    110.467  356.872    104.367  49.046  9.6262  48.749  9.1596  0.2965202      13.28763 
1 1 1 -14 41  6  o 18.215  7.7516  19.305     60.034   -3.0997    91.502   36.237     79.548   19.838  8.9537  21.091  8.9476  -1.253443      12.65813 
1 1 1 -14 41  7  o 82.760  4.9916  892.328    99.769   824.334    135.933  971.726    146.891  76.465  7.4200  83.144  7.3571  -6.679329      10.44906 
1 1 1 -14 41  8  o 19.385  8.0197  34.297     61.506   17.603     93.196   47.179     81.867   20.809  9.2389  21.775  9.1484  -0.9664650     13.00193 
1 1 1 -14 41  9  o 21.647  8.4655  59.523     64.489   125.996    97.914   8.5948     85.704   27.785  10.543  19.669  8.7879  8.115940       13.72502 
1 1 1 -14 41  10 o 20.268  8.3122  43.465     65.332   85.243     98.795   10.996     87.095   24.787  10.200  19.826  8.8584  4.961798       13.50983 
1 1 1 -14 41  11 o 14.953  6.9540  -31.5477   61.046   58.910     92.659   -100.9257  81.147   22.813  9.6664  14.692  7.1462  8.121870       12.02107 
1 1 1 -14 41  12 o 38.147  9.1045  230.618    83.100   300.615    128.129  179.798    109.176  39.532  12.167  31.291  11.264  8.240583       16.58039 
1 1 1 -14 41  13 o 59.462  9.6483  563.864    134.434  286.039    152.544  1529.96    284.458  36.243  13.274  88.633  13.666  -52.38969      19.05185 
1 1 1 -14 41  14 o 18.039  8.5149  -47.6759   97.474   -45.4519   107.420  -58.0453   231.950  18.929  8.9361  24.617  11.998  -5.687819      14.96006 
1 1 1 -14 41  15 o 18.809  8.7761  -29.7011   98.510   -6.5816    108.619  -136.8470  233.832  20.464  9.4322  23.417  11.541  -2.952986      14.90491 
1 1 1 -14 41  16 o 24.498  9.1864  90.375     73.840   -27.7141   100.315  230.021    109.088  19.046  8.8765  35.461  11.273  -16.41537      14.34825 
1 1 1 -14 41  17 o 14.219  6.7983  -62.1641   66.198   -100.4872  89.020   -14.7548   99.012   15.512  7.5314  19.432  8.9737  -3.919404      11.71533 
1 1 1 -14 41  18 o 22.448  8.9035  68.308     72.245   132.454    97.681   -9.1526    107.341  27.765  10.531  20.178  9.3273  7.586885       14.06805 
1 1 1 -14 41  19 o 25.550  10.474  103.723    103.660  -125.2779  208.631  178.787    119.447  22.296  10.971  30.320  11.611  -8.024446      15.97457 
1 1 1 -14 41  20 o 24.387  11.731  11.517     203.972  11.517     203.972  0.0000     0.0000   24.387  11.731  ?       ?       0.000000       11.73086 
1 1 1 -14 42  1  o 58.191  5.7995  450.213    80.796   483.703    118.259  420.896    110.647  57.335  8.7802  53.359  8.8566  3.975891       12.47121 
1 1 1 -14 42  2  o 19.916  7.9551  41.971     58.053   36.483     98.922   44.855     71.698   22.446  9.7543  21.157  8.6959  1.288422       13.06775 
1 1 1 -14 42  3  o 14.225  6.5833  -29.3305   53.710   -29.5889   91.791   -29.1960   66.231   18.609  8.6102  15.905  7.3429  2.704757       11.31608 
1 1 1 -14 42  4  o 32.304  8.4727  158.312    67.234   259.139    101.893  80.556     89.479   39.585  10.454  24.506  9.8452  15.07904       14.35983 
1 1 1 -14 42  5  o 47.610  6.5774  314.205    73.954   409.692    110.036  235.537    99.876   51.746  9.0957  37.350  10.554  14.39674       13.93251 
1 1 1 -14 42  6  o 32.746  9.0649  169.675    74.478   242.513    120.166  124.242    94.905   35.996  11.863  27.582  10.400  8.414106       15.77654 
1 1 1 -14 42  7  o 40.033  7.7504  236.218    72.565   330.417    103.619  145.557    101.654  45.324  9.7141  28.986  10.796  16.33759       14.52331 
1 1 1 -14 42  8  f 32.632  8.5736  166.323    68.767   152.948    99.473   178.567    95.171   29.469  10.730  31.853  10.560  -2.384571      15.05540 
1 1 1 -14 42  9  o 43.218  7.3757  271.980    74.569   324.846    105.799  219.792    105.118  44.182  10.090  34.671  11.071  9.510979       14.97919 
1 1 1 -14 42  10 o 20.459  9.1293  20.930     92.179   11.665     95.727   138.984    341.714  20.245  9.1458  28.993  14.222  -8.748348      16.90866 
1 1 1 -14 42  11 o 42.655  11.146  326.519    116.630  295.075    124.029  566.736    342.813  39.029  11.964  36.303  16.741  2.725704       20.57678 
1 1 1 -14 42  12 o 16.521  7.8789  -62.5698   87.755   -40.1038   94.646   -200.2085  234.267  17.960  8.4510  22.233  11.061  -4.273220      13.91969 
1 1 1 -14 42  13 o 21.558  9.5034  37.173     96.899   14.255     105.743  157.239    242.036  20.982  9.5321  28.831  13.550  -7.849386      16.56683 
1 1 1 -14 42  14 o 51.534  6.8439  377.393    83.461   454.370    113.143  285.507    123.615  54.010  8.9466  38.376  11.974  15.63425       14.94686 
1 1 1 -14 42  15 o 15.898  7.3404  -23.2265   66.197   -51.1213   87.346   14.417     101.466  16.902  8.0027  20.729  9.3856  -3.827597      12.33425 
1 1 1 -14 42  16 o 26.491  9.3532  114.786    74.927   55.547     103.003  181.361    109.195  22.745  9.9182  30.943  11.246  -8.197546      14.99504 
1 1 1 -14 42  17 o 24.992  10.359  97.456     102.890  40.621     193.976  119.706    121.371  24.972  11.853  26.463  11.130  -1.490910      16.25951 
1 1 1 -14 42  18 f 29.381  11.034  166.413    106.601  291.074    215.152  125.853    122.723  31.821  14.087  26.502  11.171  5.318960       17.97902 
1 1 1 -14 42  19 o 26.903  12.691  144.714    215.992  144.714    215.992  0.0000     0.0000   26.903  12.691  ?       ?       0.000000       12.69150 
1 1 1 -14 43  1  o 13.987  6.5373  -36.0706   55.023   -55.5430   93.062   -25.6047   68.226   17.565  8.2997  16.225  7.4774  1.339983       11.17118 
1 1 1 -14 43  2  o 38.123  7.6267  212.383    68.085   222.402    111.233  206.381    86.097   35.020  11.408  35.614  9.7006  -0.5937996     14.97439 
1 1 1 -14 43  3  o 17.599  7.8328  2.9824     67.384   83.427     97.516   -70.5301   93.220   24.575  10.126  16.931  8.0873  7.643787       12.95905 
1 1 1 -14 43  4  o 31.755  9.3239  164.385    76.559   77.974     110.924  242.994    105.798  24.518  10.488  36.844  10.997  -12.32587      15.19655 
1 1 1 -14 43  5  o 25.233  9.3109  99.988     75.257   42.227     111.036  149.066    102.351  22.586  10.054  28.928  10.822  -6.341404      14.77103 
1 1 1 -14 43  6  f 23.283  8.8502  79.979     69.076   75.672     109.465  82.829     89.044   24.093  10.365  23.953  9.7500  0.1394081      14.23031 
1 1 1 -14 43  7  o 26.358  8.6455  110.600    63.848   123.752    92.331   98.548     88.388   26.924  10.233  24.998  9.8692  1.926682       14.21648 
1 1 1 -14 43  8  o 18.646  8.5498  -7.0126    87.676   -3.2006    91.335   -51.7467   312.884  19.102  8.7470  25.817  12.834  -6.715364      15.53111 
1 1 1 -14 43  9  o 28.006  10.562  140.439    97.896   168.086    102.695  -134.8234  324.040  30.007  10.906  25.034  12.538  4.972702       16.61803 
1 1 1 -14 43  10 o 22.557  9.7666  57.979     98.441   88.290     103.367  -237.4809  322.727  24.449  10.276  24.002  12.086  0.4475346      15.86404 
1 1 1 -14 43  11 o 14.610  7.1818  -126.3626  88.617   -130.1199  93.545   -93.4959   276.668  15.006  7.3768  24.573  12.190  -9.567145      14.24825 
1 1 1 -14 43  12 o 21.384  8.5937  59.418     68.200   153.876    105.069  -9.3568    89.654   28.884  10.931  18.702  8.6015  10.18227       13.90904 
1 1 1 -14 43  13 o 16.886  7.5492  1.6823     63.346   68.579     101.974  -40.3524   80.834   23.303  10.014  16.594  7.8088  6.708549       12.69900 
1 1 1 -14 43  14 o 19.761  8.1401  43.532     63.000   61.032     96.985   30.757     82.863   22.628  9.7457  20.175  8.8439  2.452534       13.16031 
1 1 1 -14 43  15 o 26.113  10.258  117.523    95.046   169.595    231.330  106.948    104.252  28.202  13.252  25.400  10.468  2.802204       16.88776 
1 1 1 -14 43  16 o 24.432  10.082  96.094     96.840   -65.6524   205.227  142.423    109.837  22.568  11.060  27.394  10.942  -4.825878      15.55840 
1 1 1 -14 43  17 o 38.450  11.391  293.512    113.823  144.124    217.678  349.730    133.534  26.647  12.622  40.259  12.426  -13.61177      17.71173 
1 1 1 -14 44  1  o 31.079  9.2519  158.442    74.956   198.790    106.080  118.210    105.927  32.697  11.151  26.652  10.710  6.044632       15.46174 
1 1 1 -14 44  2  o 18.816  8.0950  25.890     66.767   131.497    94.374   -79.9349   94.472   27.541  10.374  16.549  7.9662  10.99232       13.07988 
1 1 1 -14 44  3  o 27.604  9.1614  125.816    71.618   148.399    101.073  103.044    101.495  28.558  10.740  25.362  10.376  3.195295       14.93366 
1 1 1 -14 44  4  o 30.450  9.7342  160.222    81.252   245.667    111.093  61.943     119.145  35.710  11.379  23.457  10.429  12.25344       15.43499 
1 1 1 -14 44  5  o 19.314  8.3913  28.360     73.171   63.185     102.045  -8.4938    104.976  22.846  9.9177  19.715  9.1520  3.131424       13.49518 
1 1 1 -14 44  6  f 31.101  11.474  193.968    114.263  168.710    121.913  376.500    327.732  29.064  11.554  31.427  15.053  -2.362583      18.97562 
1 1 1 -14 44  7  o 39.429  11.805  307.740    121.775  141.066    129.977  1504.64    348.308  27.291  11.500  66.655  19.967  -39.36375      23.04178 
1 1 1 -14 44  8  o 41.581  11.025  318.486    113.039  337.774    119.730  160.243    342.946  42.282  11.407  28.054  13.854  14.22807       17.94617 
1 1 1 -14 44  9  o 25.600  10.620  110.499    108.277  69.774     114.501  454.844    332.946  23.514  10.350  32.645  15.506  -9.130877      18.64227 
1 1 1 -14 44  10 o 20.822  8.3303  56.712     63.767   84.383     97.179   35.790     84.504   23.894  9.9988  20.475  8.9543  3.419754       13.42216 
1 1 1 -14 44  11 o 25.077  8.9035  101.755    67.987   70.672     105.992  123.484    88.619   23.327  10.117  26.637  10.048  -3.309834      14.25930 
1 1 1 -14 44  12 o 30.443  8.8856  153.200    69.715   178.850    104.962  132.952    93.256   30.360  11.027  27.219  10.298  3.140945       15.08843 
1 1 1 -14 44  13 o 13.641  6.6759  -99.9588   73.985   174.003    246.790  -127.0119  77.552   27.846  13.262  13.297  6.5706  14.54895       14.80005 
1 1 1 -14 44  14 o 28.735  10.501  157.419    95.384   251.763    269.988  143.965    101.959  28.875  13.784  27.443  10.669  1.432297       17.43071 
1 1 1 -14 44  15 o 22.100  9.2015  71.018     81.713   -243.2401  283.805  99.425     85.327   21.916  11.072  24.176  9.6485  -2.260254      14.68591 
1 1 1 -14 44  16 o 19.298  8.5540  31.130     79.564   333.934    289.191  6.3327     82.758   28.695  13.843  18.220  8.3369  10.47549       16.15992 
1 1 1 -14 45  1  o 21.631  8.6560  64.599     68.872   121.438    96.892   6.5547     97.914   26.283  10.347  19.787  9.0592  6.495882       13.75236 
1 1 1 -14 45  2  o 27.871  9.3838  133.479    75.107   125.478    109.953  140.478    102.839  26.359  10.794  27.454  10.703  -1.095156      15.20056 
1 1 1 -14 45  3  f 21.974  10.260  17.229     135.001  17.229     135.001  0.0000     0.0000   21.974  10.260  ?       ?       0.000000       10.25981 
1 1 1 -14 45  4  o 28.566  11.836  172.620    134.271  172.620    134.271  0.0000     0.0000   28.566  11.836  ?       ?       0.000000       11.83611 
1 1 1 -14 45  5  o 22.157  10.086  41.182     119.146  -51.4448   136.859  331.151    242.149  19.994  9.6157  31.569  14.374  -11.57468      17.29350 
1 1 1 -14 45  6  o 30.972  11.368  196.348    111.960  187.759    118.818  264.376    334.391  29.980  11.555  28.818  14.122  1.162434       18.24703 
1 1 1 -14 45  7  o 24.777  9.1102  101.505    71.950   114.400    96.823   85.602     107.522  25.579  10.254  23.898  10.277  1.680511       14.51744 
1 1 1 -14 45  8  o 23.356  8.7549  85.698     67.056   84.616     95.247   86.762     94.421   23.636  9.8955  23.760  9.8917  -0.1232510     13.99166 
1 1 1 -14 45  9  o 15.577  7.0349  -4.9583    56.588   -124.7138  84.411   92.790     76.262   14.076  6.9369  23.987  9.2540  -9.910335      11.56534 
1 1 1 -14 45  10 o 19.137  8.0451  38.302     63.377   60.066     98.319   22.830     82.898   22.218  9.6890  19.441  8.6677  2.776304       13.00025 
1 1 1 -14 45  11 o 14.821  7.0438  -47.2419   68.900   -335.5343  239.892  -21.3221   71.931   19.990  10.106  16.267  7.5595  3.723022       12.62046 
1 1 1 -14 45  12 o 25.670  10.036  119.769    90.627   219.930    260.677  105.999    96.657   27.802  13.345  24.645  10.109  3.157244       16.74180 
1 1 1 -14 45  13 o 20.352  8.8901  45.168     83.081   54.182     257.762  44.123     87.765   24.557  12.106  20.503  9.0411  4.053705       15.10925 
1 1 1 -14 45  14 o 14.761  7.0722  -52.3755   72.456   -122.9309  254.628  -46.1591   75.581   21.822  10.955  15.304  7.3022  6.518316       13.16593 
1 1 1 -14 46  1  f 20.442  9.5416  4.2006     116.619  -5.4511    134.080  34.188     236.336  20.952  9.9190  24.558  12.000  -3.605440      15.56859 
1 1 1 -14 46  2  o 29.823  12.404  214.165    148.268  214.165    148.268  0.0000     0.0000   29.823  12.404  ?       ?       0.000000       12.40402 
1 1 1 -14 46  3  o 18.160  8.6715  -45.9983   106.987  -50.9336   120.108  -27.0388   235.410  18.861  9.0548  23.499  11.581  -4.637871      14.70075 
1 1 1 -14 46  4  o 32.064  12.134  234.873    129.494  203.038    149.054  332.853    261.492  29.234  12.316  30.376  14.214  -1.141666      18.80783 
1 1 1 -14 46  5  o 22.454  8.9261  77.128     72.762   97.714     104.197  57.535     101.653  24.267  10.265  22.027  9.7207  2.240341       14.13709 
1 1 1 -14 46  6  o 28.656  9.2465  142.977    73.183   91.220     95.447   216.811    114.001  23.811  9.9318  32.040  11.513  -8.229147      15.20479 
1 1 1 -14 46  7  o 20.771  8.5283  57.327     68.870   45.283     91.664   72.939     104.362  20.990  9.2486  22.901  9.9849  -1.911251      13.61014 
1 1 1 -14 46  8  o 20.354  8.4607  52.412     68.926   51.123     91.856   54.074     104.273  21.262  9.3161  21.883  9.7413  -0.6212215     13.47892 
1 1 1 -14 46  9  o 22.184  9.7696  63.697     102.150  92.549     245.669  57.666     112.321  25.308  12.338  22.206  9.9807  3.102226       15.86909 
1 1 1 -14 46  10 o 21.955  9.1828  71.660     81.908   -105.5316  249.008  93.158     86.735   22.257  11.124  23.502  9.6010  -1.245094      14.69431 
1 1 1 -14 46  11 o 25.290  9.9029  120.969    88.337   31.803     277.685  131.009    93.177   24.019  11.964  25.899  10.162  -1.880106      15.69758 
1 1 1 -14 46  12 o 19.419  8.7295  32.495     85.965   267.627    276.809  7.3971     90.437   26.733  13.046  18.496  8.5538  8.236885       15.60030 
1 1 1 -14 47  1  o 21.779  9.9871  44.084     119.658  31.373     136.828  85.410     246.714  21.899  10.258  25.012  12.230  -3.113829      15.96284 
1 1 1 -14 47  2  o 22.245  8.7077  77.784     68.281   74.855     100.109  80.331     93.369   22.631  9.8237  22.807  9.6857  -0.1762524     13.79559 
1 1 1 -14 47  3  o 19.411  8.3557  38.969     71.214   50.051     104.091  29.218     97.642   21.526  9.6463  20.283  9.1932  1.242298       13.32542 
1 1 1 -14 47  4  o 27.728  9.5312  139.492    77.523   79.043     113.850  191.748    105.855  23.169  10.253  30.297  11.064  -7.127829      15.08384 
1 1 1 -14 47  5  o 26.598  9.3386  126.486    74.611   100.373    103.288  154.980    107.894  24.106  10.209  27.463  10.884  -3.356630      14.92325 
1 1 1 -14 47  6  o 14.298  6.9829  -91.6648   79.710   -139.1111  153.042  -74.0030   93.374   18.488  9.1529  16.084  7.7858  2.404345       12.01642 
1 1 1 -14 47  7  o 19.189  8.7409  18.331     89.671   64.062     167.633  0.0000     106.132  23.356  11.067  19.353  9.0559  4.003145       14.29970 
1 1 1 -14 47  8  o 22.311  9.5962  77.703     93.773   347.090    179.237  -23.8219   110.034  32.941  13.664  18.635  8.8694  14.30568       16.29031 
1 1 1 -14 47  9  o 20.257  9.1039  42.909     93.430   -44.3078   188.716  71.228     107.534  21.046  10.372  22.022  9.8411  -0.9757214     14.29739 
1 1 1 -14 47  10 o 29.668  11.275  209.751    112.106  152.933    222.829  229.007    129.719  24.610  11.941  29.499  11.853  -4.888723      16.82498 
1 1 1 -14 48  1  f 29.053  8.6015  144.369    64.920   140.643    110.852  146.314    80.092   26.138  10.786  27.917  9.6826  -1.779045      14.49450 
1 1 1 -14 48  2  o 21.534  8.4847  72.095     65.207   165.304    101.418  6.4117     85.136   28.129  10.716  18.319  8.4092  9.810358       13.62176 
1 1 1 -14 48  3  o 19.523  8.4127  42.920     72.345   111.331    105.513  -17.7734   99.383   24.389  10.324  18.239  8.6056  6.150612       13.43998 
1 1 1 -14 48  4  o 24.905  10.110  119.540    95.430   196.821    174.040  86.316     114.114  27.045  12.264  23.026  10.223  4.019201       15.96666 
1 1 1 -14 48  5  o 24.679  10.089  118.403    95.850   85.102     177.963  132.011    113.759  23.565  11.234  25.185  10.693  -1.619900      15.50924 
1 1 1 -14 48  6  f ?       ?       -330.0581  72.171   -616.4245  140.596  -227.6037  84.096   ?       ?       11.658  5.9030  0.000000       5.903031 
1 1 1 -14 48  7  o 14.425  7.0613  -87.7641   82.941   -89.8283   159.875  -87.0040   97.018   18.986  9.3915  15.620  7.6443  3.366385       12.10930 
1 1 1 -14 48  8  f 17.409  8.1825  -6.6018    88.307   -58.0756   170.614  12.234     103.207  19.655  9.7187  18.905  8.8731  0.7502174      13.15998 
1 1 1 -14 49  1  o 10.481  5.1934  -92.1957   49.660   -85.0835   146.978  -93.1122   52.763   18.761  9.2275  10.899  5.3919  7.861966       10.68737 
1 1 1 -14 49  2  o 11.393  5.5295  -58.5084   47.882   -331.8098  148.974  -27.0216   50.565   15.141  7.6861  13.213  6.2045  1.927977       9.877845 
1 1 1 -14 49  3  o 17.291  7.7170  18.908     65.895   62.664     165.610  10.677     71.826   22.353  10.705  17.251  7.8445  5.102102       13.27149 
1 1 1 -14 49  4  o 20.527  9.1834  56.412     93.918   -0.0000    182.588  76.707     109.517  21.102  10.360  21.791  9.8189  -0.6883812     14.27385 
1 1 1 -14 49  5  o 16.065  7.7140  -40.2143   87.263   -149.5046  176.479  -4.8455    100.395  18.346  9.1981  18.081  8.5664  0.2657299      12.56930 
1 1 1 -14 49  6  o 16.793  7.9969  -19.4220   89.685   -33.8131   180.418  -14.6988   103.359  19.916  9.8737  17.720  8.4784  2.196148       13.01437 
1 1 1 -14 50  1  o 9.3042  4.6467  -95.1431   43.074   -318.3656  146.740  -74.0958   45.059   14.895  7.5679  10.290  5.0704  4.605055       9.109459 
1 1 1 -14 50  2  o 18.754  7.9995  47.730     64.203   -58.8091   166.409  66.362     69.591   19.198  9.5115  20.243  8.4652  -1.044258      12.73294 
1 1 1 -14 50  3  o 19.863  8.2786  64.044     66.243   -47.6864   169.842  84.091     71.941   19.255  9.5516  21.402  8.7435  -2.147051      12.94925 
1 1 1 -14 50  4  o 19.848  8.3427  66.183     68.134   84.920     174.331  62.805     74.022   21.451  10.443  19.689  8.4969  1.762081       13.46300 
1 1 1 -14 51  1  o 16.889  7.4948  28.420     61.254   -117.1052  161.792  52.769     66.180   17.503  8.7798  18.698  8.0519  -1.194649      11.91292 
1 1 1 -13 -56 31 o 13.120  6.2883  -26.4426   57.415   85.584     100.005  -81.5235   70.124   19.410  8.9829  12.475  6.1795  6.934488       10.90313 
1 1 1 -13 -56 32 o 12.885  6.2787  -48.0427   63.442   30.111     95.402   -110.0063  84.948   17.346  8.2565  13.022  6.5069  4.323197       10.51241 
1 1 1 -13 -56 33 o 17.387  7.9149  43.581     73.371   43.747     98.746   43.376     109.630  17.915  8.4903  18.082  8.6727  -0.1666222     12.13675 
1 1 1 -13 -56 34 o 20.954  9.4103  118.015    99.630   121.045    195.193  116.947    115.858  19.927  9.9423  20.523  9.5562  -0.5960445     13.79021 
1 1 1 -13 -56 35 o 15.369  7.4762  -25.9699   88.857   -21.2603   166.596  -27.8424   105.047  17.774  8.9149  16.057  7.8780  1.717741       11.89692 
1 1 1 -13 -56 36 o 19.639  9.0001  87.840     96.965   73.742     179.896  93.614     115.118  19.257  9.5983  19.721  9.2918  -0.4631672     13.35902 
1 1 1 -13 -56 37 o 14.802  7.0877  -14.2664   72.534   135.796    167.615  -48.8425   80.457   20.316  9.9643  14.202  6.9528  6.113390       12.15024 
1 1 1 -13 -56 38 o 13.495  6.1286  5.3780     43.664   7.7774     167.417  5.2029     45.229   18.135  9.0726  13.631  6.2087  4.503908       10.99363 
1 1 1 -13 -55 24 o 16.843  7.5204  35.655     62.652   13.421     89.937   56.617     87.328   16.884  8.0310  18.544  8.5141  -1.660019      11.70414 
1 1 1 -13 -55 25 o 14.396  6.7547  -7.2006    59.723   -1.6039    83.304   -13.1193   85.667   16.144  7.6929  15.866  7.6248  0.2778664      10.83132 
1 1 1 -13 -55 26 o 16.601  7.3780  31.642     59.569   142.988    85.785   -72.0481   82.783   23.862  9.6210  14.002  6.8941  9.860108       11.83611 
1 1 1 -13 -55 27 o 13.244  6.2898  -23.6698   54.747   51.714     87.475   -72.2126   70.195   18.612  8.5363  12.997  6.3895  5.614509       10.66277 
1 1 1 -13 -55 28 o 10.349  5.1310  -81.2047   48.747   -67.6886   75.614   -90.8179   63.769   13.630  6.6866  11.865  5.8801  1.765005       8.904301 
1 1 1 -13 -55 29 o 13.230  6.2894  -25.6285   55.008   -59.8554   92.629   -6.9824    68.369   15.106  7.4088  15.226  7.1699  -0.1194229     10.31007 
1 1 1 -13 -55 30 o 12.650  6.0989  -41.9935   55.923   -43.8919   101.478  -41.1655   67.017   16.055  7.8488  13.782  6.6527  2.272392       10.28892 
1 1 1 -13 -55 31 o 21.604  8.6108  95.225     67.879   76.056     104.005  109.448    89.590   20.075  9.2446  21.863  9.3908  -1.787506      13.17766 
1 1 1 -13 -55 32 o 15.578  7.1972  6.0126     63.792   9.5427     97.175   3.3392     84.566   17.477  8.3229  16.694  7.8955  0.7829056      11.47215 
1 1 1 -13 -55 33 o 13.043  6.3382  -53.4482   63.427   -52.9417   91.580   -53.9152   87.931   15.303  7.4762  15.039  7.3425  0.2639847      10.47884 
1 1 1 -13 -55 34 o 14.279  6.7914  -23.2414   64.293   -100.5970  93.455   46.267     88.588   14.266  7.0785  18.648  8.5669  -4.381933      11.11289 
1 1 1 -13 -55 35 o 12.785  5.9299  -11.0316   43.927   -251.1199  164.516  7.3989     45.582   15.748  8.0023  14.167  6.3635  1.581263       10.22404 
1 1 1 -13 -55 36 o 20.368  8.8996  81.194     83.305   -0.0028    173.161  105.646    95.025   19.201  9.5453  21.587  9.4666  -2.385830      13.44354 
1 1 1 -13 -55 37 o 25.461  9.8022  156.873    85.425   217.492    180.969  139.493    96.900   23.369  11.191  23.428  9.9036  -0.5907249E-01 14.94398 
1 1 1 -13 -55 38 o 26.927  10.012  177.846    87.345   302.076    180.934  140.099    99.736   25.511  11.900  23.287  9.9528  2.224205       15.51358 
1 1 1 -13 -55 39 o 16.029  7.5230  1.8824     74.178   180.188    161.592  -45.7221   83.495   22.787  10.817  14.936  7.2614  7.850425       13.02826 
1 1 1 -13 -55 40 o 23.129  7.8347  100.515    52.360   91.919     171.249  101.402    54.993   20.614  10.103  22.976  8.0202  -2.362082      12.89927 
1 1 1 -13 -55 41 o 19.001  7.1121  61.609     44.218   3.8434     99.101   75.968     49.410   17.236  8.2614  20.449  7.5447  -3.213131      11.18810 
1 1 1 -13 -55 42 o 14.239  6.3136  12.630     43.378   -68.4579   98.535   32.122     48.311   15.181  7.4838  16.138  6.9129  -0.9569368     10.18803 
1 1 1 -13 -55 43 o 18.066  7.2891  54.082     49.274   109.628    96.930   34.726     57.219   21.310  9.4438  16.710  7.3365  4.599705       11.95866 
1 1 1 -13 -55 44 o 14.968  6.6227  18.928     47.482   93.134     97.610   -4.0740    54.345   20.365  9.2146  14.102  6.5593  6.263326       11.31078 
1 1 1 -13 -54 20 o 17.926  7.7954  47.715     63.261   36.043     90.760   58.744     88.224   18.114  8.4425  19.051  8.6748  -0.9365520     12.10488 
1 1 1 -13 -54 21 o 12.200  5.9382  -55.4556   56.274   -67.9165   84.210   -45.4007   75.644   14.385  7.0567  14.395  6.9783  -0.1070213E-01 9.924409 
1 1 1 -13 -54 22 o 14.516  6.7727  -8.1951    58.656   -17.1995   83.654   0.5132     82.267   15.981  7.6414  16.558  7.8177  -0.5763655     10.93194 
1 1 1 -13 -54 23 o 16.090  7.3009  15.557     61.795   62.035     85.330   -35.6998   89.609   19.544  8.7477  15.814  7.6483  3.729360       11.61975 
1 1 1 -13 -54 24 o 27.337  9.0485  152.687    69.881   135.532    100.767  168.581    96.994   23.501  10.023  25.829  10.294  -2.328209      14.36748 
1 1 1 -13 -54 25 f 14.634  6.8016  -7.6083    58.260   32.101     81.614   -48.8703   83.194   18.098  8.2802  15.071  7.3087  3.026579       11.04440 
1 1 1 -13 -54 26 o 27.161  8.5907  141.474    63.413   166.078    98.311   123.944    82.983   25.790  10.334  23.747  9.5020  2.043297       14.03879 
1 1 1 -13 -54 27 o 16.310  7.2343  21.771     56.997   55.528     96.335   3.5893     70.700   19.719  9.0124  16.237  7.5280  3.482454       11.74284 
1 1 1 -13 -54 28 o 21.331  8.2355  82.884     60.434   75.585     97.214   87.481     77.153   20.702  9.2966  21.395  8.9272  -0.6922569     12.88884 
1 1 1 -13 -54 29 o 13.584  6.4215  -25.5657   55.824   74.208     97.060   -74.8861   68.241   20.676  9.2867  13.045  6.3898  7.631111       11.27263 
1 1 1 -13 -54 30 o 12.734  6.1598  -52.2771   58.187   -66.2566   85.993   -40.4714   79.025   14.889  7.2673  15.148  7.2904  -0.2591906     10.29392 
1 1 1 -13 -54 31 o 19.851  8.2720  65.080     66.116   68.450     93.349   61.689     93.657   20.410  9.1415  20.086  9.0627  0.3241501      12.87239 
1 1 1 -13 -54 32 o 14.374  6.7589  -19.2530   60.356   -113.9924  88.478   63.204     82.543   13.892  6.8917  19.981  8.7911  -6.089053      11.17050 
1 1 1 -13 -54 33 o 12.144  5.9761  -82.6993   61.896   -132.8407  88.761   -35.2354   86.358   13.507  6.7339  15.890  7.6412  -2.382888      10.18491 
1 1 1 -13 -54 34 o 20.806  8.2268  76.288     61.503   83.088     97.410   71.780     79.310   21.211  9.4302  20.469  8.8144  0.7422791      12.90825 
1 1 1 -13 -54 35 f 9.9249  4.8266  -48.3844   36.966   -78.8680   86.491   -41.5717   40.888   14.608  7.1635  10.884  5.2396  3.724239       8.875183 
1 1 1 -13 -54 36 o 22.184  7.4008  84.013     46.715   162.080    97.790   60.930     53.174   25.910  10.333  19.406  7.6570  6.503792       12.86064 
1 1 1 -13 -54 37 o 16.854  6.8096  37.990     43.071   -22.9292   94.502   53.962     48.389   16.805  8.0580  18.656  7.3223  -1.850971      10.88796 
1 1 1 -13 -54 38 o 15.729  7.1675  7.0158     60.373   34.976     88.291   -17.5385   82.739   18.701  8.5768  16.250  7.7216  2.450865       11.54054 
1 1 1 -13 -54 39 o 16.387  7.5779  4.9271     70.963   -80.6089   145.232  31.753     81.333   17.782  8.8232  18.257  8.3195  -0.4748726     12.12693 
1 1 1 -13 -54 40 o 19.003  8.4784  47.983     79.473   45.744     176.404  48.553     89.018   20.818  10.213  19.305  8.7609  1.513094       13.45586 
1 1 1 -13 -54 41 o 12.187  5.9892  -78.8027   61.519   -170.4893  152.104  -60.8711   67.266   16.600  8.3509  13.379  6.5074  3.221326       10.58698 
1 1 1 -13 -54 42 o 12.015  5.6838  -26.9545   43.869   -284.9335  158.926  -5.6764    45.642   15.497  7.8740  13.476  6.1753  2.021773       10.00670 
1 1 1 -13 -54 43 o 25.541  7.9393  118.125    54.405   172.150    101.789  96.518     64.372   25.898  10.467  22.353  8.5323  3.544640       13.50374 
1 1 1 -13 -54 44 o 13.858  6.3805  -5.6542    49.510   -110.4411  101.810  26.801     56.661   14.805  7.3530  16.538  7.2799  -1.733171      10.34714 
1 1 1 -13 -54 45 o 18.277  8.6121  23.795     98.930   23.795     98.930   0.0000     0.0000   18.277  8.6121  ?       ?       0.000000       8.612051 
1 1 1 -13 -54 46 o 17.799  8.4702  11.595     100.279  11.595     100.279  0.0000     0.0000   17.799  8.4702  ?       ?       0.000000       8.470232 
1 1 1 -13 -54 47 o 12.885  6.2848  -59.8716   64.007   -94.1114   130.881  -49.1085   73.380   16.441  8.1933  14.100  6.8437  2.341413       10.67554 
1 1 1 -13 -53 16 o 16.364  7.6922  2.0637     78.073   10.951     85.411   -43.0933   192.526  17.105  8.0423  19.010  9.5410  -1.904057      12.47841 
1 1 1 -13 -53 17 o 26.710  10.423  182.725    97.599   173.830    107.688  223.635    230.943  25.300  10.551  23.137  11.416  2.162754       15.54469 
1 1 1 -13 -53 18 o 26.030  10.194  164.878    93.622   183.320    102.179  68.405     233.701  26.613  10.578  21.317  10.672  5.296722       15.02641 
1 1 1 -13 -53 19 o 18.064  8.3016  26.924     83.299   20.086     90.813   63.191     209.145  18.093  8.4366  21.343  10.589  -3.249859      13.53929 
1 1 1 -13 -53 20 o 21.948  9.2889  95.234     85.401   97.679     92.862   81.826     217.460  22.013  9.5084  21.847  10.833  0.1658306      14.41368 
1 1 1 -13 -53 21 o 17.416  8.0181  15.139     78.181   23.972     84.163   -40.4531   211.149  18.132  8.3374  20.257  10.142  -2.124739      13.12921 
1 1 1 -13 -53 22 o 16.192  7.3167  11.958     61.308   -29.1914   90.787   46.455     83.124   16.500  7.9081  19.257  8.6257  -2.757385      11.70220 
1 1 1 -13 -53 23 o 15.403  7.1125  -4.2273    62.183   -61.4938   85.665   59.552     90.406   15.156  7.3650  20.192  9.0235  -5.036792      11.64762 
1 1 1 -13 -53 24 o 16.048  7.2157  11.906     58.769   31.848     83.853   -7.3476    82.392   18.644  8.4769  16.823  7.9062  1.820276       11.59164 
1 1 1 -13 -53 25 o 23.572  8.4404  101.617    61.223   89.446     90.681   111.811    82.992   21.933  9.4351  23.534  9.4722  -1.601532      13.36951 
1 1 1 -13 -53 26 o 20.484  8.1887  69.331     61.567   139.504    100.576  27.277     77.859   24.837  10.264  18.191  8.2304  6.645477       13.15594 
1 1 1 -13 -53 27 o 18.478  7.6915  46.595     57.076   2.1400     92.219   74.197     72.667   17.857  8.3831  20.957  8.6973  -3.100063      12.07967 
1 1 1 -13 -53 28 o 22.978  8.4657  95.588     62.175   60.987     104.120  114.763    77.512   20.735  9.4349  24.066  9.3170  -3.330526      13.25985 
1 1 1 -13 -53 29 o 20.277  8.3732  65.603     66.868   12.652     96.776   113.978    92.500   18.518  8.6595  23.549  9.7961  -5.031097      13.07483 
1 1 1 -13 -53 30 f 18.724  7.9888  45.759     64.059   62.397     90.239   28.856     90.952   20.537  9.1061  18.937  8.6923  1.600849       12.58882 
1 1 1 -13 -53 31 o 19.402  8.1263  54.748     64.273   138.046    90.208   -31.1402   91.600   25.334  9.9803  16.668  7.9766  8.665892       12.77627 
1 1 1 -13 -53 32 o 14.261  6.7386  -28.1541   61.350   60.082     85.782   -120.5419  87.777   20.326  8.9519  13.885  6.8843  6.440943       11.29293 
1 1 1 -13 -53 33 o 17.419  8.0206  9.7498     78.265   92.670     89.201   -267.5930  163.134  22.285  9.4655  16.326  8.2614  5.959139       12.56371 
1 1 1 -13 -53 34 o 10.670  5.2954  -95.7707   52.420   -156.9147  82.379   -54.1664   67.953   12.611  6.3169  13.908  6.7098  -1.297244      9.215491 
1 1 1 -13 -53 35 o 12.832  5.8498  -7.8638    40.263   -119.4793  89.829   20.197     45.041   14.095  6.9839  15.550  6.6682  -1.455199      9.656100 
1 1 1 -13 -53 36 o 12.853  5.8568  -7.6666    40.307   -30.1941   90.385   -2.0744    45.033   16.637  7.9515  13.854  6.2645  2.783021       10.12271 
1 1 1 -13 -53 37 o 13.697  6.1422  0.5087     42.276   -14.6321   91.407   4.6288     47.683   17.249  8.1728  14.621  6.5420  2.628190       10.46861 
1 1 1 -13 -53 38 o 17.276  6.9239  39.376     44.139   56.613     96.029   34.759     49.701   20.421  9.1987  17.155  7.1622  3.265726       11.65812 
1 1 1 -13 -53 39 o 16.771  6.9136  33.491     45.487   -29.8135   93.574   53.078     52.050   16.855  8.0652  18.933  7.5421  -2.077755      11.04221 
1 1 1 -13 -53 40 o 15.476  7.0892  -1.2070    60.067   38.643     96.177   -26.6914   76.912   19.582  8.9701  15.753  7.4735  3.829025       11.67541 
1 1 1 -13 -53 41 o 17.772  7.9934  24.326     72.185   2.1527     170.335  29.180     79.695   20.596  10.090  18.430  8.3338  2.165171       13.08656 
1 1 1 -13 -53 42 o 16.491  7.7061  -7.0650    76.407   0.0000     0.0000   -7.0650    76.407   ?       ?       16.491  7.7061  0.000000       7.706063 
1 1 1 -13 -53 43 o 17.929  8.1410  23.106     77.002   55.542     158.382  13.066     88.117   21.437  10.318  18.053  8.3822  3.383509       13.29373 
1 1 1 -13 -53 44 o 19.113  9.4519  -57.6585   161.607  -57.6585   161.607  0.0000     0.0000   19.113  9.4519  ?       ?       0.000000       9.451914 
1 1 1 -13 -53 45 o 26.939  11.230  197.270    121.916  197.270    121.916  0.0000     0.0000   26.939  11.230  ?       ?       0.000000       11.22977 
1 1 1 -13 -53 46 o 22.257  7.8678  86.811     53.035   69.698     109.311  92.079     60.652   20.900  9.5699  22.464  8.3449  -1.563671      12.69723 
1 1 1 -13 -53 47 o 13.381  6.0283  -0.3064    41.257   -102.3713  107.869  17.183     44.652   15.587  7.7108  15.096  6.5569  0.4911976      10.12171 
1 1 1 -13 -53 48 o 15.940  7.3134  5.7600     64.288   -14.0339   130.570  12.094     73.861   18.595  9.0496  16.904  7.7865  1.691681       11.93835 
1 1 1 -13 -53 49 o 15.030  6.9684  -4.4774    60.578   -201.6110  161.748  27.685     65.333   16.524  8.3489  17.155  7.6681  -0.6309757     11.33595 
1 1 1 -13 -53 50 o 14.990  6.9308  -1.5952    59.322   -76.2066   222.582  4.1098     61.548   19.371  9.7881  15.472  7.1198  3.899058       12.10365 
1 1 1 -13 -52 13 o 15.660  7.1060  10.509     58.547   -77.9486   94.876   64.911     74.404   15.102  7.4252  19.725  8.5157  -4.623215      11.29827 
1 1 1 -13 -52 14 o 22.756  9.1858  105.710    78.297   48.089     105.841  175.355    116.362  19.723  9.1671  25.461  10.813  -5.738264      14.17578 
1 1 1 -13 -52 15 o 16.876  7.6051  19.083     65.723   106.430    84.390   -115.5613  104.775  22.831  9.4150  15.134  7.5067  7.697205       12.04129 
1 1 1 -13 -52 16 o 41.323  8.5308  298.091    82.701   296.977    111.926  299.431    122.734  35.182  11.442  33.555  11.957  1.627102       16.55005 
1 1 1 -13 -52 17 o 22.384  8.5378  90.641     64.425   -28.3788   92.724   201.720    89.578   16.782  8.0297  30.606  10.248  -13.82439      13.01937 
1 1 1 -13 -52 18 o 13.248  6.4897  -82.0346   70.424   -64.4876   75.380   -202.4721  197.487  14.287  6.9349  18.424  9.2989  -4.137121      11.60012 
1 1 1 -13 -52 19 o 18.723  8.4637  30.850     82.135   30.834     89.502   30.936     206.720  19.055  8.7001  21.876  10.795  -2.821003      13.86409 
1 1 1 -13 -52 20 o 22.911  9.5453  99.663     88.015   125.902    96.734   -26.5099   212.123  24.452  10.081  21.188  10.538  3.264690       14.58367 
1 1 1 -13 -52 21 o 16.105  7.6079  -23.0601   78.111   -10.2383   84.624   -96.8735   203.041  17.098  8.0280  20.091  10.042  -2.992723      12.85642 
1 1 1 -13 -52 22 o 13.060  6.4271  -95.3850   71.625   -114.8663  76.531   42.111     203.318  13.051  6.4633  22.249  10.925  -9.197854      12.69372 
1 1 1 -13 -52 23 o 22.677  9.5374  94.373     89.131   124.844    98.100   -49.7766   213.371  24.488  10.129  21.031  10.478  3.457306       14.57332 
1 1 1 -13 -52 24 o 22.676  9.5306  94.024     88.904   76.383     97.399   182.126    217.662  21.704  9.5495  24.974  12.039  -3.269255      15.36620 
1 1 1 -13 -52 25 o 20.547  9.2444  53.396     96.646   63.659     108.449  13.797     213.025  21.307  9.6695  21.991  10.871  -0.6839161     14.54908 
1 1 1 -13 -52 26 o 25.158  8.7168  115.193    64.903   76.481     110.487  135.589    80.198   21.909  9.8681  26.106  9.6153  -4.197521      13.77798 
1 1 1 -13 -52 27 o 16.528  7.2804  18.359     56.763   -79.0326   91.663   78.937     72.292   15.389  7.5095  21.624  8.7917  -6.235572      11.56231 
1 1 1 -13 -52 28 o 19.330  8.1177  51.033     64.416   107.303    94.775   2.7200     87.818   23.472  9.8513  17.881  8.3240  5.590752       12.89718 
1 1 1 -13 -52 29 o 19.844  8.2939  56.857     66.753   67.307     97.397   47.599     91.668   21.240  9.4369  20.101  9.0271  1.138412       13.05928 
1 1 1 -13 -52 30 o 20.692  8.2788  68.315     62.984   81.073     93.153   57.570     85.486   21.916  9.4947  20.440  8.9708  1.476036       13.06235 
1 1 1 -13 -52 31 o 20.048  8.1897  60.603     63.107   -26.2316   92.291   136.856    86.485   17.069  8.1238  25.836  9.8831  -8.766897      12.79343 
1 1 1 -13 -52 32 o 19.308  7.8722  53.352     58.170   109.698    91.647   15.336     75.277   23.682  9.7928  17.689  8.0385  5.993683       12.66949 
1 1 1 -13 -52 33 o 24.299  8.9295  108.975    69.111   160.382    97.788   57.674     97.687   27.002  10.462  20.791  9.3291  6.210733       14.01715 
1 1 1 -13 -52 34 o 33.520  6.4485  169.054    50.544   226.811    101.224  149.870    58.338   32.009  10.893  29.915  7.9146  2.094715       13.46494 
1 1 1 -13 -52 35 o 13.082  6.0952  -20.5209   47.254   46.495     88.761   -47.0262   55.821   19.980  8.9340  12.910  6.1912  7.070158       10.86958 
1 1 1 -13 -52 36 o 30.350  7.0244  144.419    50.705   190.126    100.889  128.972    58.650   29.075  10.770  27.321  8.1955  1.753601       13.53377 
1 1 1 -13 -52 37 o 22.163  7.2361  79.023     44.747   -25.1616   98.835   105.884    50.185   17.567  8.3733  25.309  7.5786  -7.742022      11.29365 
1 1 1 -13 -52 38 o 11.810  5.5620  -27.6554   41.168   108.278    85.755   -68.3656   46.930   23.776  9.6078  10.846  5.3100  12.92938       10.97748 
1 1 1 -13 -52 39 o 24.432  7.3169  96.781     46.777   70.031     102.518  103.814    52.568   21.579  9.6284  24.852  7.8171  -3.273458      12.40215 
1 1 1 -13 -52 40 o 31.932  7.0167  158.853    52.882   304.638    108.703  113.654    60.527   37.866  11.108  25.398  8.4218  12.46867       13.93957 
1 1 1 -13 -52 41 o 15.229  6.5565  16.137     43.861   -40.2003   93.242   32.145     49.703   16.731  8.0179  17.103  7.1532  -0.3713264     10.74500 
1 1 1 -13 -52 42 o 13.694  6.8123  -139.9064  88.833   -139.9064  88.833   0.0000     0.0000   13.694  6.8123  ?       ?       0.000000       6.812297 
1 1 1 -13 -52 43 o 18.163  9.0369  -132.3025  156.612  -132.3025  156.612  0.0000     0.0000   18.163  9.0369  ?       ?       0.000000       9.036942 
1 1 1 -13 -52 44 o 27.516  12.856  281.632    212.521  281.632    212.521  0.0000     0.0000   27.516  12.856  ?       ?       0.000000       12.85598 
1 1 1 -13 -52 45 o 18.089  8.1827  20.878     76.920   168.156    192.499  -7.1063    83.910   24.939  11.829  17.241  8.0627  7.698696       14.31574 
1 1 1 -13 -52 46 o 16.595  6.8090  31.707     43.863   84.654     105.449  20.629     48.234   22.189  9.8409  15.964  6.8743  6.225263       12.00411 
1 1 1 -13 -52 47 o 18.759  7.1117  52.225     44.527   -176.0956  110.267  96.711     48.672   14.639  7.3295  24.131  7.5107  -9.491149      10.49437 
1 1 1 -13 -52 48 o 26.106  7.8209  116.151    53.437   169.443    117.198  102.164    60.041   26.212  10.975  23.898  8.3781  2.314013       13.80772 
1 1 1 -13 -52 49 o 31.050  7.5734  159.181    56.548   112.129    153.932  166.521    60.799   23.026  10.817  31.266  7.9857  -8.239563      13.44513 
1 1 1 -13 -52 50 o 23.356  8.9298  104.531    70.581   177.658    230.784  96.986     74.133   23.876  11.707  22.601  9.0017  1.274967       14.76752 
1 1 1 -13 -52 51 o 18.998  8.1638  50.980     67.763   186.625    234.687  38.643     70.777   23.648  11.637  18.319  8.0965  5.328749       14.17632 
1 1 1 -13 -51 11 o 19.720  8.2577  61.038     66.347   319.490    107.843  -96.3579   84.159   37.773  11.059  14.040  6.9205  23.73284       13.04595 
1 1 1 -13 -51 12 o 16.157  7.2832  10.872     60.326   40.201     106.439  -3.0073    73.222   19.904  9.2312  16.425  7.6312  3.478510       11.97707 
1 1 1 -13 -51 13 f 13.642  6.6033  -60.0311   67.132   -119.7393  88.619   20.374     102.837  14.013  6.9424  19.181  8.9553  -5.167179      11.33115 
1 1 1 -13 -51 14 o 32.916  9.6766  209.355    82.415   200.812    112.769  219.149    120.745  28.671  11.199  29.239  11.538  -0.5681286     16.07941 
1 1 1 -13 -51 15 o 37.007  8.6125  235.833    75.883   210.852    104.117  264.138    110.829  30.407  10.992  33.896  11.399  -3.488731      15.83576 
1 1 1 -13 -51 16 o 14.976  6.8119  -2.9512    54.214   -3.1238    78.276   -2.7920    75.158   17.083  7.9206  16.867  7.7995  0.2161999      11.11613 
1 1 1 -13 -51 17 o 24.590  8.4973  106.280    61.656   57.671     88.626   151.871    85.831   20.717  9.1122  27.396  9.9688  -6.679686      13.50591 
1 1 1 -13 -51 18 o 18.937  7.8518  46.729     59.149   -77.0117   87.223   152.083    80.482   15.194  7.3947  27.892  9.7043  -12.69810      12.20066 
1 1 1 -13 -51 19 f 16.355  7.2360  14.061     56.677   36.458     82.607   -5.8586    77.906   19.391  8.6483  17.009  7.8918  2.381655       11.70784 
1 1 1 -13 -51 20 o 22.935  8.4425  89.882     61.815   106.064    88.264   74.304     86.600   23.807  9.7008  21.716  9.2775  2.091572       13.42306 
1 1 1 -13 -51 21 o 25.847  8.6092  118.136    63.224   83.620     87.579   155.700    91.365   22.304  9.4212  27.434  10.232  -5.130148      13.90875 
1 1 1 -13 -51 22 o 18.706  7.9072  42.087     61.764   44.243     88.303   40.022     86.421   20.040  8.9393  19.743  8.8227  0.2963066      12.55989 
1 1 1 -13 -51 23 o 19.052  8.4576  34.620     78.068   47.027     84.180   -41.6220   208.677  20.019  8.8398  21.422  10.620  -1.402985      13.81773 
1 1 1 -13 -51 24 o 29.802  10.881  196.513    102.371  131.321    117.303  404.805    209.675  24.864  10.713  31.994  14.045  -7.130421      17.66499 
1 1 1 -13 -51 25 o 20.961  9.3213  57.863     95.229   56.510     109.934  61.928     190.594  21.303  9.6939  22.926  11.104  -1.623049      14.74037 
1 1 1 -13 -51 26 o 16.907  7.8970  -11.7392   80.104   19.697     96.282   -82.4264   144.379  19.240  8.8724  18.659  9.1712  0.5803623      12.76052 
1 1 1 -13 -51 27 o 21.697  9.3123  74.063     87.974   48.146     106.649  129.247    155.626  20.862  9.5144  24.480  11.286  -3.617704      14.76124 
1 1 1 -13 -51 28 f 21.106  9.2719  62.320     91.512   -18.5852   113.841  210.080    153.847  18.767  8.9568  27.563  12.067  -8.796112      15.02817 
1 1 1 -13 -51 29 o 26.278  9.0512  126.917    69.929   114.026    114.326  134.623    88.393   24.031  10.465  25.901  9.9712  -1.870480      14.45461 
1 1 1 -13 -51 30 f 29.137  8.8746  152.174    68.390   104.616    97.245   198.717    96.201   23.617  9.9489  30.627  10.612  -7.010271      14.54661 
1 1 1 -13 -51 31 o 12.918  6.1908  -47.8551   55.618   -23.8212   85.167   -65.7268   73.442   16.821  7.9456  14.275  6.9088  2.545995       10.52917 
1 1 1 -13 -51 32 o 14.516  6.7333  -16.7685   56.653   -18.4393   87.855   -15.5792   74.123   17.227  8.1170  16.280  7.6016  0.9473228      11.12076 
1 1 1 -13 -51 33 f 15.871  7.1365  5.2617     57.499   6.2881     87.691   4.4876     76.155   18.230  8.4279  17.379  7.9686  0.8510361      11.59869 
1 1 1 -13 -51 34 o 33.941  6.5231  172.423    51.769   141.914    100.947  183.309    60.303   25.963  10.448  33.957  7.5174  -7.994061      12.87122 
1 1 1 -13 -51 35 o 15.691  6.9623  9.3315     52.841   129.894    90.273   -53.5066   65.173   25.510  10.005  13.839  6.6505  11.67104       12.01361 
1 1 1 -13 -51 36 o 12.653  5.7875  -11.5690   39.838   -95.7988   92.393   7.6669     44.153   15.147  7.4229  14.641  6.4360  0.5060568      9.824565 
1 1 1 -13 -51 37 o 34.913  6.5397  182.248    53.364   152.070    102.136  193.579    62.586   26.638  10.580  34.831  7.6175  -8.192322      13.03681 
1 1 1 -13 -51 38 o 14.268  6.3436  2.8355     44.081   -96.2213   118.189  18.841     47.509   17.020  8.3518  15.893  6.8328  1.127375       10.79078 
1 1 1 -13 -51 39 o 19.952  7.3295  60.414     46.558   59.280     95.469   60.768     53.329   21.132  9.3682  20.079  7.7407  1.053061       12.15246 
1 1 1 -13 -51 40 o 23.679  7.5337  90.980     48.713   140.537    102.771  76.620     55.323   25.888  10.498  21.740  7.9892  4.148335       13.19227 
1 1 1 -13 -51 41 o 17.757  8.2981  -7.5956    88.604   -7.5956    88.604   0.0000     0.0000   17.757  8.2981  ?       ?       0.000000       8.298100 
1 1 1 -13 -51 42 o 28.343  11.145  183.378    112.285  183.378    112.285  0.0000     0.0000   28.343  11.145  ?       ?       0.000000       11.14473 
1 1 1 -13 -51 43 o 27.041  8.9026  130.987    67.679   127.382    106.938  133.396    87.413   25.058  10.488  26.049  9.9429  -0.9908428     14.45166 
1 1 1 -13 -51 44 o 20.411  8.7384  55.381     77.121   31.347     177.818  60.949     85.589   22.356  10.802  21.027  9.1055  1.328991       14.12812 
1 1 1 -13 -51 45 o 27.285  9.3279  138.291    74.225   110.030    184.535  143.745    81.072   24.268  11.532  27.307  9.7197  -3.039057      15.08160 
1 1 1 -13 -51 46 o 25.186  9.4629  118.570    78.428   392.510    200.431  69.043     85.224   32.768  14.060  21.491  9.1931  11.27627       16.79841 
1 1 1 -13 -51 47 o 12.157  5.7230  -29.0097   43.501   260.277    170.806  -49.0752   44.985   29.205  12.752  11.391  5.4866  17.81379       13.88259 
1 1 1 -13 -51 48 o 10.909  5.2315  -41.5229   39.853   -78.1883   119.103  -36.9001   42.291   17.496  8.5426  11.540  5.4940  5.956403       10.15681 
1 1 1 -13 -51 49 o 36.156  6.6519  196.876    56.206   96.878     139.667  216.200    61.397   23.333  10.733  37.542  6.9975  -14.20882      12.81259 
1 1 1 -13 -51 50 o 21.761  7.6018  76.939     49.410   117.933    132.783  70.351     53.233   23.962  10.803  20.952  7.8111  3.009354       13.33117 
1 1 1 -13 -51 51 o 15.844  7.3896  -13.8532   69.722   0.0000     0.0000   -13.8532   69.722   ?       ?       15.844  7.3896  0.000000       7.389567 
1 1 1 -13 -51 52 o 16.696  7.6945  1.6524     72.241   0.0000     0.0000   1.6524     72.241   ?       ?       16.696  7.6945  0.000000       7.694489 
1 1 1 -13 -51 53 o 14.008  6.6743  -36.6620   62.667   0.0000     0.0000   -36.6620   62.667   ?       ?       14.008  6.6743  0.000000       6.674333 
1 1 1 -13 -50 8  o 20.351  9.3096  54.296     103.106  -57.0382   296.264  69.638     109.981  21.538  10.924  21.131  9.6466  0.4067898      14.57330 
1 1 1 -13 -50 9  o 25.632  10.641  152.411    108.834  660.556    300.674  75.795     116.751  31.225  14.803  21.762  9.9364  9.462830       17.82856 
1 1 1 -13 -50 10 o 17.149  8.1216  -20.4111   90.062   213.982    354.191  -36.6137   93.123   24.807  12.512  16.796  8.0394  8.010220       14.87245 
1 1 1 -13 -50 11 o 27.878  10.904  176.613    107.009  547.333    357.056  140.030    112.165  28.586  14.121  25.359  10.684  3.227055       17.70723 
1 1 1 -13 -50 12 o 21.955  9.3679  77.091     88.092   33.805     322.874  80.572     91.566   23.810  12.002  22.213  9.5162  1.596649       15.31648 
1 1 1 -13 -50 13 o 19.128  8.4245  35.687     75.980   -55.0050   227.252  47.102     80.620   21.861  10.879  20.021  8.7513  1.840250       13.96166 
1 1 1 -13 -50 14 o 20.773  8.7311  61.262     74.623   80.596     227.286  58.926     79.002   24.050  11.755  20.751  8.8632  3.298685       14.72207 
1 1 1 -13 -50 15 o 21.390  8.1431  72.127     58.536   15.701     90.057   113.405    77.027   18.958  8.6829  24.911  9.3744  -5.952385      12.77779 
1 1 1 -13 -50 16 o 20.017  7.8033  58.560     54.663   -15.5863   86.437   107.976    70.565   17.402  8.1524  24.668  9.0293  -7.266075      12.16509 
1 1 1 -13 -50 17 o 14.886  6.7663  -5.3742    53.367   54.172     79.097   -55.1326   72.304   20.492  8.8135  14.631  7.0244  5.861238       11.27033 
1 1 1 -13 -50 18 o 18.419  7.6914  39.535     57.332   34.131     82.152   44.666     80.050   19.437  8.6500  19.937  8.7171  -0.4990730     12.28050 
1 1 1 -13 -50 19 o 19.801  7.9329  55.452     57.918   33.305     82.359   77.120     81.465   19.397  8.6443  22.043  9.1834  -2.646116      12.61186 
1 1 1 -13 -50 20 o 18.629  7.7737  41.403     58.512   68.675     83.396   14.963     82.115   21.514  9.1455  18.435  8.3847  3.078522       12.40738 
1 1 1 -13 -50 21 o 29.794  8.7854  155.102    67.843   99.086     96.823   209.129    95.089   23.570  9.9283  32.085  10.552  -8.514431      14.48839 
1 1 1 -13 -50 22 o 23.058  8.1690  88.088     57.203   261.716    83.863   -62.9869   78.227   38.969  9.0436  14.935  7.2038  24.03448       11.56204 
1 1 1 -13 -50 23 o 65.514  5.5300  599.841    87.086   666.710    129.756  545.033    117.474  63.570  8.6357  57.327  8.7203  6.243610       12.27272 
1 1 1 -13 -50 24 o 27.103  8.6823  128.148    64.614   111.431    100.778  139.816    84.197   24.339  10.183  26.898  9.8603  -2.559368      14.17479 
1 1 1 -13 -50 25 o 51.639  6.2676  386.760    76.923   469.791    119.957  328.771    100.248  51.077  10.037  42.638  9.8828  8.439560       14.08586 
1 1 1 -13 -50 26 o 18.478  8.1862  26.089     72.778   -2.9466    84.113   112.570    145.163  17.777  8.2310  24.416  11.122  -6.639357      13.83614 
1 1 1 -13 -50 27 o 17.868  8.2093  3.1778     81.368   52.540     98.374   -103.7363  144.778  21.121  9.4276  18.544  9.1279  2.577593       13.12238 
1 1 1 -13 -50 28 o 20.944  9.1370  55.969     87.511   80.386     104.382  -1.7926    160.544  22.687  9.9360  21.397  10.320  1.290003       14.32604 
1 1 1 -13 -50 29 f 30.853  10.766  198.097    99.087   152.977    120.286  293.361    174.780  26.521  11.113  30.984  13.207  -4.462917      17.26054 
1 1 1 -13 -50 30 o 26.018  10.332  134.439    97.394   72.111     122.326  242.365    160.968  22.663  10.279  29.481  12.623  -6.818430      16.27886 
1 1 1 -13 -50 31 o 26.751  10.411  144.370    97.169   128.084    117.241  180.102    173.658  25.254  10.792  26.709  12.165  -1.455172      16.26243 
1 1 1 -13 -50 32 o 27.510  8.5938  130.241    63.656   135.647    96.538   126.082    84.672   26.149  10.317  25.829  9.8032  0.3197327      14.23197 
1 1 1 -13 -50 33 o 14.006  6.1847  3.0112     41.212   -74.1667   85.663   26.255     47.010   15.322  7.4271  16.602  6.9513  -1.279723      10.17268 
1 1 1 -13 -50 34 o 21.981  7.2700  75.331     45.114   -12.9790   92.177   103.148    51.733   17.966  8.4175  25.225  7.7256  -7.258371      11.42536 
1 1 1 -13 -50 35 o 13.754  6.1338  -0.8178    41.546   20.083     88.981   -6.6443    46.981   19.182  8.7259  14.062  6.3750  5.119829       10.80655 
1 1 1 -13 -50 36 o 15.448  6.5449  18.225     42.473   -8.5261    86.749   26.660     48.711   17.767  8.2717  16.784  7.0543  0.9835396      10.87127 
1 1 1 -13 -50 37 f 14.578  6.3772  7.4957     42.890   -22.9964   93.293   15.667     48.296   17.662  8.3350  15.833  6.8482  1.828992       10.78745 
1 1 1 -13 -50 38 o 47.742  5.0628  312.080    57.753   272.674    108.207  327.776    68.294   36.255  11.185  47.872  6.0121  -11.61644      12.69811 
1 1 1 -13 -50 39 o 33.364  6.6849  166.444    52.233   73.273     103.284  198.460    60.545   22.337  9.8306  35.994  7.1841  -13.65763      12.17585 
1 1 1 -13 -50 40 o 47.975  11.373  455.980    130.372  455.980    130.372  0.0000     0.0000   47.975  11.373  ?       ?       0.000000       11.37296 
1 1 1 -13 -50 41 o 26.826  10.688  149.405    104.549  149.405    104.549  0.0000     0.0000   26.826  10.688  ?       ?       0.000000       10.68838 
1 1 1 -13 -50 42 o 25.259  8.2605  107.131    58.305   125.282    133.956  102.888    64.761   25.032  11.097  24.468  8.6894  0.5648441      14.09446 
1 1 1 -13 -50 43 o 12.616  5.8495  -20.0228   42.697   1.9229     94.917   -25.5900   47.807   18.746  8.7023  13.037  6.0932  5.708941       10.62344 
1 1 1 -13 -50 44 o 21.659  7.4491  73.145     47.356   55.240     102.074  78.055     53.456   21.459  9.5889  22.134  7.8910  -0.6753273     12.41834 
1 1 1 -13 -50 45 o 17.334  7.5078  23.390     58.214   71.441     107.416  3.4088     69.268   22.411  9.9361  17.009  7.7226  5.401537       12.58426 
1 1 1 -13 -50 46 o 17.181  7.5285  18.886     59.994   -101.5251  171.910  35.584     64.020   19.930  9.8361  18.638  7.9700  1.291981       12.65978 
1 1 1 -13 -50 47 o 15.895  7.2697  -6.5755    62.821   178.195    151.001  -45.2501   69.084   27.264  11.945  14.745  7.0207  12.51903       13.85573 
1 1 1 -13 -50 48 o 25.040  9.1105  110.562    71.684   139.188    159.032  103.263    80.305   25.626  11.660  24.190  9.4504  1.435776       15.00910 
1 1 1 -13 -50 49 o 14.205  6.3581  -1.2366    45.076   8.8884     124.433  -2.7660    48.360   20.514  9.6639  14.511  6.5330  6.002687       11.66496 
1 1 1 -13 -50 50 o 15.544  6.8262  10.210     49.566   0.0000     0.0000   10.210     49.566   ?       ?       15.544  6.8262  0.000000       6.826200 
1 1 1 -13 -50 51 o 20.582  7.9194  64.186     55.734   0.0000     0.0000   64.186     55.734   ?       ?       20.582  7.9194  0.000000       7.919354 
1 1 1 -13 -50 52 o 35.938  9.7952  239.963    87.752   0.0000     0.0000   239.963    87.752   ?       ?       35.938  9.7952  0.000000       9.795212 
1 1 1 -13 -50 53 o 18.358  8.0373  31.839     68.246   161.368    250.915  21.491     70.919   24.995  12.245  17.899  7.9958  7.096088       14.62463 
1 1 1 -13 -50 54 o 25.019  9.0047  116.215    69.768   180.666    167.624  102.710    76.730   25.709  11.801  23.535  9.2257  2.173874       14.97913 
1 1 1 -13 -50 55 o 16.005  7.3070  2.4064     63.120   56.569     172.991  -5.9119    67.794   21.973  10.627  15.970  7.3928  6.002588       12.94528 
1 1 1 -13 -49 6  o 28.238  9.5244  156.488    77.376   176.549    108.342  135.604    110.543  27.382  10.890  24.788  10.533  2.593952       15.15045 
1 1 1 -13 -49 7  o 19.019  8.2683  40.450     71.128   94.315     95.039   -28.1374   107.244  22.913  9.7522  18.066  8.6420  4.846550       13.03030 
1 1 1 -13 -49 8  o 31.115  9.6976  183.542    81.111   179.530    109.179  188.485    121.173  28.277  11.027  28.175  11.408  0.1021194      15.86637 
1 1 1 -13 -49 9  o 20.923  9.3723  49.361     98.147   359.030    310.536  14.994     103.450  28.126  13.746  19.651  9.1092  8.474924       16.49021 
1 1 1 -13 -49 10 o 22.015  9.5796  69.791     95.656   -199.7158  333.415  93.964     99.854   22.623  11.486  23.449  9.9887  -0.8259335     15.22162 
1 1 1 -13 -49 11 o 20.830  9.3218  44.625     96.854   175.363    312.478  30.730     101.871  26.169  12.977  20.403  9.3026  5.765837       15.96701 
1 1 1 -13 -49 12 o 30.247  10.652  185.323    97.129   -105.3688  284.776  223.591    103.325  22.901  11.509  32.917  11.007  -10.01581      15.92461 
1 1 1 -13 -49 13 o 27.969  9.9822  148.899    85.567   41.173     231.361  165.969    92.097   24.010  11.762  29.023  10.356  -5.013241      15.67159 
1 1 1 -13 -49 14 o 18.555  8.3354  18.429     78.227   0.0000     0.0000   18.429     78.227   ?       ?       18.555  8.3354  0.000000       8.335446 
1 1 1 -13 -49 15 o 16.262  7.3266  2.7220     60.948   -286.7093  261.976  19.284     62.668   20.641  10.448  17.451  7.6695  3.189358       12.96045 
1 1 1 -13 -49 16 o 19.190  8.2569  38.494     69.479   -38.3885   280.875  43.505     71.707   23.525  11.766  19.648  8.4194  3.876768       14.46829 
1 1 1 -13 -49 17 o 28.583  9.2738  146.647    73.540   -152.2663  279.381  168.900    76.229   22.301  11.231  30.658  9.3759  -8.356901      14.63054 
1 1 1 -13 -49 18 o 20.728  8.4935  60.405     68.139   -22.9146   272.284  65.971     70.378   23.593  11.767  21.228  8.6574  2.365416       14.60870 
1 1 1 -13 -49 19 o 17.466  7.8518  10.326     69.557   -26.9697   264.668  13.094     72.091   23.459  11.684  17.818  8.0033  5.641214       14.16257 
1 1 1 -13 -49 20 o 13.039  6.1733  -37.5361   51.954   -53.4566   77.333   -24.4391   70.141   15.305  7.3257  15.769  7.3734  -0.4637041     10.39393 
1 1 1 -13 -49 21 o 15.506  6.9414  2.0819     53.746   37.620     79.535   -27.7853   72.913   19.730  8.6562  15.902  7.4618  3.827814       11.42843 
1 1 1 -13 -49 22 o 44.788  6.6767  294.583    70.342   392.494    105.803  217.023    94.168   47.954  9.4291  33.506  10.450  14.44852       14.07518 
1 1 1 -13 -49 23 o 34.619  7.8769  189.725    64.676   181.432    97.331   196.281    86.548   30.065  10.655  32.460  10.001  -2.394636      14.61354 
1 1 1 -13 -49 24 o 32.570  8.3721  174.006    66.526   157.646    103.698  185.450    86.726   27.883  10.782  31.429  10.058  -3.545910      14.74454 
1 1 1 -13 -49 25 o 44.318  7.1736  294.743    74.504   251.026    106.897  336.040    103.896  35.196  11.156  43.436  10.056  -8.240002      15.01965 
1 1 1 -13 -49 26 o 24.887  8.6608  103.807    64.106   22.800     92.002   180.252    89.374   19.751  8.9404  30.768  10.235  -11.01687      13.59016 
1 1 1 -13 -49 27 o 17.043  7.5086  14.274     60.402   -47.0671   88.052   68.796     83.014   16.610  7.9135  21.967  9.2198  -5.357376      12.15023 
1 1 1 -13 -49 28 o 16.522  7.2916  10.782     57.202   49.904     84.104   -22.8922   78.029   20.835  9.0242  16.685  7.7937  4.149759       11.92385 
1 1 1 -13 -49 29 o 34.637  10.763  233.267    100.005  273.151    122.027  151.688    174.520  35.403  11.961  26.613  12.150  8.789471       17.04968 
1 1 1 -13 -49 30 o 16.045  7.6280  -45.8386   80.933   -94.9091   98.603   55.480     141.684  16.062  7.8271  23.070  10.682  -7.008255      13.24289 
1 1 1 -13 -49 31 o 28.673  10.538  160.398    96.248   126.833    119.159  223.403    163.255  25.834  10.955  29.605  12.695  -3.770588      16.76843 
1 1 1 -13 -49 32 o 23.709  9.7848  91.774     91.243   45.907     113.878  174.019    152.491  21.865  9.9173  27.715  12.077  -5.850599      15.62720 
1 1 1 -13 -49 33 o 24.204  8.2168  94.787     57.592   73.209     116.772  101.724    66.204   23.148  10.306  24.676  8.7833  -1.527515      13.54121 
1 1 1 -13 -49 34 o 15.825  6.6344  20.289     42.907   35.470     91.296   15.986     48.610   20.401  9.0958  16.050  6.9062  4.350883       11.42060 
1 1 1 -13 -49 35 o 13.293  6.0512  -11.4119   42.891   -124.0945  89.180   22.496     48.920   14.452  7.1237  16.615  7.0310  -2.162756      10.00907 
1 1 1 -13 -49 36 o 18.136  6.9485  42.835     42.792   26.807     88.472   47.730     48.892   19.787  8.8785  18.980  7.3852  0.8077812      11.54851 
1 1 1 -13 -49 37 o 33.321  6.5960  163.143    51.442   131.617    103.155  173.579    59.347   26.235  10.560  33.559  7.4795  -7.323608      12.94048 
1 1 1 -13 -49 38 o 19.876  8.1032  51.149     61.626   61.457     92.582   42.948     82.579   21.799  9.4548  20.323  8.8708  1.475382       12.96474 
1 1 1 -13 -49 39 o 54.419  10.195  522.978    129.675  522.978    129.675  0.0000     0.0000   54.419  10.195  ?       ?       0.000000       10.19520 
1 1 1 -13 -49 40 o 24.383  10.378  103.203    107.640  103.203    107.640  0.0000     0.0000   24.383  10.378  ?       ?       0.000000       10.37820 
1 1 1 -13 -49 41 o 13.763  6.1687  -3.7121    42.586   -48.9768   95.558   7.5060     47.572   17.118  8.1798  15.233  6.6887  1.884540       10.56641 
1 1 1 -13 -49 42 o 16.590  6.7361  29.154     42.372   -74.5600   95.432   54.621     47.289   16.304  7.8869  19.608  7.3517  -3.304363      10.78198 
1 1 1 -13 -49 43 o 21.658  7.2760  71.691     45.154   -20.7041   107.336  91.558     49.773   18.871  8.9160  24.055  7.6112  -5.184032      11.72281 
1 1 1 -13 -49 44 o 19.985  7.3553  58.058     46.917   159.120    107.510  34.284     52.144   27.826  10.917  17.842  7.3830  9.983444       13.17893 
1 1 1 -13 -49 45 o 30.934  6.9949  144.720    51.272   184.089    108.107  133.294    58.239   29.593  11.112  28.663  8.0450  0.9291096      13.71832 
1 1 1 -13 -49 46 o 14.061  6.2769  -1.6324    43.626   -67.6061   94.583   16.197     49.169   16.452  7.9320  16.083  6.9330  0.3688774      10.53486 
1 1 1 -13 -49 47 o 18.273  7.7690  32.217     60.195   -106.9692  157.925  55.876     65.110   19.466  9.5725  20.396  8.3237  -0.9295425     12.68528 
1 1 1 -13 -49 48 o 13.448  6.3222  -32.5007   52.757   -155.9521  141.891  -12.6964   56.831   17.723  8.7809  15.019  6.8855  2.704000       11.15865 
1 1 1 -13 -49 49 o 25.031  9.5235  109.622    80.033   0.0000     0.0000   109.622    80.033   ?       ?       25.031  9.5235  0.000000       9.523509 
1 1 1 -13 -49 50 o 24.073  8.1026  93.580     55.998   0.0000     0.0000   93.580     55.998   ?       ?       24.073  8.1026  0.000000       8.102611 
1 1 1 -13 -49 51 o 11.258  5.4319  -52.8720   44.558   0.0000     0.0000   -52.8720   44.558   ?       ?       11.258  5.4319  0.000000       5.431894 
1 1 1 -13 -49 52 o 20.585  7.6378  62.981     50.778   28.839     133.387  68.767     54.913   21.707  10.156  21.256  7.9316  0.4509373      12.88618 
1 1 1 -13 -49 53 o 17.145  7.7074  8.5451     67.013   -60.3172   154.077  24.610     74.420   20.046  9.7719  18.627  8.2639  1.418577       12.79776 
1 1 1 -13 -49 54 f 24.095  9.2081  102.248    75.027   261.029    174.730  66.355     83.076   29.662  12.926  21.460  9.1255  8.201366       15.82300 
1 1 1 -13 -49 55 f 22.396  8.9924  83.766     74.602   78.740     181.876  84.783     81.800   23.499  11.244  22.501  9.2730  0.9976311      14.57463 
1 1 1 -13 -49 56 o 25.598  9.4658  125.665    77.863   243.819    190.723  102.034    85.295   27.441  12.593  23.474  9.5473  3.967596       15.80295 
1 1 1 -13 -48 4  o 26.500  9.0073  128.476    69.208   99.449     105.657  150.289    91.592   23.306  10.105  26.981  10.207  -3.674883      14.36235 
1 1 1 -13 -48 5  o 19.708  8.1449  52.011     63.350   44.102     96.579   57.983     83.928   20.578  9.2514  20.869  9.0268  -0.2905598     12.92561 
1 1 1 -13 -48 6  o 13.806  6.6090  -51.3090   62.980   -98.9887   92.163   -9.5375    86.264   15.227  7.4516  17.734  8.2538  -2.507335      11.11983 
1 1 1 -13 -48 7  o 19.125  8.1437  39.412     66.327   21.553     94.490   56.759     93.127   19.724  8.9799  21.418  9.3824  -1.693653      12.98724 
1 1 1 -13 -48 8  o 18.088  7.9118  23.597     65.995   56.026     95.126   -6.4950    91.635   21.549  9.4601  18.407  8.5468  3.141981       12.74917 
1 1 1 -13 -48 9  f 37.964  8.2250  230.006    73.576   245.802    113.254  218.471    96.781   34.152  11.523  33.618  10.611  0.5341606      15.66415 
1 1 1 -13 -48 10 o 19.193  8.1463  38.826     65.989   14.991     106.172  53.830     84.236   20.239  9.3277  21.101  9.0854  -0.8615074     13.02114 
1 1 1 -13 -48 11 o 19.592  8.0676  47.094     61.854   39.765     97.883   51.967     79.808   20.929  9.3683  20.799  8.8965  0.1299820      12.91947 
1 1 1 -13 -48 12 o 16.671  7.3033  14.017     56.433   67.368     92.355   -17.7719   71.290   22.164  9.5278  16.292  7.5555  5.872541       12.15997 
1 1 1 -13 -48 13 o 17.754  7.6930  23.659     61.171   27.668     95.103   20.830     79.889   20.181  9.1164  18.942  8.4723  1.238783       12.44543 
1 1 1 -13 -48 14 o 11.109  5.4466  -78.0831   49.922   -163.1248  84.450   -32.4027   61.894   13.076  6.5269  14.603  6.8593  -1.526096      9.468442 
1 1 1 -13 -48 15 o 19.033  8.3377  29.564     73.542   321.485    273.631  6.8358     76.351   29.590  14.055  17.949  8.1330  11.64036       16.23864 
1 1 1 -13 -48 16 o 20.622  8.6725  53.397     73.690   156.936    268.606  44.970     76.630   26.659  12.975  20.191  8.6793  6.467321       15.61025 
1 1 1 -13 -48 17 o 29.223  9.7631  155.597    81.294   -41.7745   255.330  177.862    85.757   23.614  11.714  31.005  10.010  -7.391626      15.40795 
1 1 1 -13 -48 18 o 22.554  9.0663  77.880     75.929   -0.0031    264.566  84.871     79.263   24.395  12.070  23.139  9.2767  1.256664       15.22276 
1 1 1 -13 -48 19 o 16.849  7.6724  -3.6128    69.013   210.218    181.292  -39.8506   74.632   28.805  12.832  15.713  7.4271  13.09222       14.82642 
1 1 1 -13 -48 20 f 35.609  9.8376  224.550    87.817   414.607    202.223  180.380    97.489   36.388  14.736  30.466  10.676  5.922014       18.19726 
1 1 1 -13 -48 21 o 10.836  5.4076  -126.5898  57.852   -4.0504    179.972  -140.7112  61.095   22.801  10.980  10.923  5.4670  11.87748       12.26604 
1 1 1 -13 -48 22 o 22.056  8.6378  71.922     67.216   -114.9280  180.592  101.968    72.419   20.678  10.182  24.780  9.1355  -4.101223      13.67938 
1 1 1 -13 -48 23 o 11.229  5.4570  -64.5976   47.025   -123.0149  71.514   -20.0969   62.417   12.695  6.2798  15.394  7.1147  -2.699375      9.489749 
1 1 1 -13 -48 24 o 24.309  8.6629  94.882     64.419   -6.8484    90.790   198.028    91.419   18.645  8.6043  32.894  10.302  -14.24903      13.42288 
1 1 1 -13 -48 25 o 31.354  8.3586  157.349    64.750   80.792     93.628   227.526    89.642   23.451  9.8139  36.054  9.9306  -12.60322      13.96169 
1 1 1 -13 -48 26 o 19.277  7.8950  42.287     58.836   91.804     86.424   -0.4857    80.323   24.118  9.6806  18.180  8.2779  5.938305       12.73726 
1 1 1 -13 -48 27 o 28.035  8.4579  126.812    62.334   175.295    89.822   81.770     86.575   31.063  10.257  23.438  9.5854  7.625399       14.03906 
1 1 1 -13 -48 28 o 16.218  7.3784  -8.7170    63.646   -67.2222   146.673  4.8548     70.644   20.331  9.8208  17.665  7.9295  2.665741       12.62237 
1 1 1 -13 -48 29 f 45.175  7.8304  308.590    82.720   205.209    172.303  339.554    94.298   29.763  12.904  46.384  8.6981  -16.62066      15.56177 
1 1 1 -13 -48 30 o 26.247  8.4242  110.275    60.807   90.431     92.196   125.553    80.896   24.195  9.8930  27.027  9.6996  -2.832020      13.85474 
1 1 1 -13 -48 31 o 36.350  9.4834  222.227    84.524   259.965    98.155   113.955    166.257  38.349  10.321  26.338  11.960  12.01124       15.79781 
1 1 1 -13 -48 32 o 45.216  6.7030  293.355    71.314   179.846    132.513  339.632    84.611   29.461  11.930  47.753  7.5537  -18.29132      14.12023 
1 1 1 -13 -48 33 o 10.960  5.3255  -63.0572   44.764   -115.2879  91.422   -46.5866   51.339   15.108  7.3993  12.713  6.0528  2.394887       9.559597 
1 1 1 -13 -48 34 o 42.338  7.0539  261.944    69.915   177.999    131.885  294.757    82.455   29.318  11.891  43.886  8.0395  -14.56860      14.35386 
1 1 1 -13 -48 35 o 16.560  7.2787  9.2824     56.463   84.699     111.790  -16.5454   65.420   24.174  10.437  15.979  7.3486  8.194444       12.76471 
1 1 1 -13 -48 36 o 20.081  7.2795  56.689     45.706   223.150    87.817   -5.1577    53.528   35.911  9.8034  15.257  6.8706  20.65432       11.97128 
1 1 1 -13 -48 37 o 24.218  10.163  90.713     100.829  90.713     100.829  0.0000     0.0000   24.218  10.163  ?       ?       0.000000       10.16253 
1 1 1 -13 -48 38 o 30.033  11.136  178.473    107.898  178.473    107.898  0.0000     0.0000   30.033  11.136  ?       ?       0.000000       11.13551 
1 1 1 -13 -48 39 o 22.526  9.6209  67.124     93.078   67.124     93.078   0.0000     0.0000   22.526  9.6209  ?       ?       0.000000       9.620851 
1 1 1 -13 -48 40 o 18.658  7.5715  40.092     53.498   12.042     96.327   52.602     64.332   19.801  9.0349  20.347  8.2853  -0.5459309     12.25871 
1 1 1 -13 -48 41 o 11.717  5.2443  -6.2413    30.665   -28.7764   100.254  -3.9153    32.209   18.403  8.6711  12.198  5.4230  6.204861       10.22727 
1 1 1 -13 -48 42 o 13.115  5.7044  3.2156     33.891   75.648     101.610  -5.8508    35.949   23.138  9.9704  12.669  5.6737  10.46902       11.47164 
1 1 1 -13 -48 43 o 20.433  6.7718  60.966     39.135   9.3797     101.507  69.972     42.414   19.906  9.1542  21.641  7.0439  -1.734665      11.55056 
1 1 1 -13 -48 44 o 16.973  6.9843  28.441     46.316   20.973     93.032   30.902     53.405   19.908  9.0029  17.785  7.4247  2.123169       11.66953 
1 1 1 -13 -48 45 o 14.636  6.4748  2.0202     45.374   1.4467     95.088   2.1893     51.632   19.147  8.8253  15.410  6.8577  3.736783       11.17646 
1 1 1 -13 -48 46 o 21.931  7.6650  73.196     50.237   -62.3129   121.262  101.273    55.197   18.684  9.0014  25.164  8.0208  -6.480736      12.05648 
1 1 1 -13 -48 47 o 12.094  5.7015  -33.1358   43.448   -38.6870   118.272  -32.2698   46.714   19.182  9.1479  12.648  5.9470  6.534217       10.91104 
1 1 1 -13 -48 48 o 23.774  9.2585  91.827     76.891   0.0000     0.0000   91.827     76.891   ?       ?       23.774  9.2585  0.000000       9.258542 
1 1 1 -13 -48 49 o 29.882  10.060  164.207    86.319   0.0000     0.0000   164.207    86.319   ?       ?       29.882  10.060  0.000000       10.05989 
1 1 1 -13 -48 50 o 19.102  8.2649  31.411     70.400   0.0000     0.0000   31.411     70.400   ?       ?       19.102  8.2649  0.000000       8.264874 
1 1 1 -13 -48 51 o 8.9283  4.4395  -82.6395   37.554   -163.1233  91.981   -66.5401   41.139   13.909  6.9214  10.159  4.9732  3.750136       8.522837 
1 1 1 -13 -48 52 o 21.728  7.4156  71.082     46.911   -87.3047   105.118  110.469    52.420   16.900  8.2002  26.541  7.6930  -9.641455      11.24396 
1 1 1 -13 -48 53 o 10.296  5.0202  -61.0638   40.718   115.595    94.403   -101.4421  45.133   25.474  10.154  9.6256  4.7991  15.84833       11.23127 
1 1 1 -13 -48 54 o 26.390  9.2372  121.357    72.974   156.954    182.677  114.598    79.601   26.813  12.312  25.532  9.5450  1.281599       15.57859 
1 1 1 -13 -48 55 o 9.2623  4.6912  -167.0108  53.377   -159.9312  163.818  -167.8517  56.458   18.781  9.3275  9.6664  4.8883  9.114513       10.53082 
1 1 1 -13 -48 56 o 15.425  7.1383  -16.2882   63.144   -105.8124  177.907  -3.3852    67.541   20.114  9.9416  16.524  7.5496  3.590307       12.48327 
1 1 1 -13 -48 57 o 15.730  7.2697  -12.3549   65.166   94.872     185.031  -27.5381   69.627   24.054  11.463  15.452  7.2638  8.602245       13.57090 
1 1 1 -13 -47 2  o 22.677  9.7170  83.736     95.509   0.0000     0.0000   83.736     95.509   ?       ?       22.677  9.7170  0.000000       9.716974 
1 1 1 -13 -47 3  o 19.014  7.9679  41.932     61.844   69.379     92.938   20.121     82.850   22.053  9.5191  18.930  8.5340  3.123314       12.78448 
1 1 1 -13 -47 4  o 29.706  8.8970  151.161    69.160   154.364    102.292  148.463    93.864   27.786  10.718  27.706  10.364  0.8087349E-01  14.90922 
1 1 1 -13 -47 5  o 32.210  8.7352  172.805    69.994   84.384     104.585  244.537    94.200   23.513  10.124  36.591  10.218  -13.07861      14.38387 
1 1 1 -13 -47 6  o 19.757  8.2426  45.229     65.758   39.103     93.489   51.227     92.511   20.835  9.2519  21.437  9.3721  -0.6018562     13.16940 
1 1 1 -13 -47 7  o 31.369  9.0578  166.487    72.793   177.285    108.146  157.542    98.427   29.684  11.120  28.652  10.633  1.031940       15.38568 
1 1 1 -13 -47 8  o 55.308  6.3497  434.700    83.668   456.488    126.626  417.816    111.468  50.571  10.656  50.013  9.5335  0.5579224      14.29792 
1 1 1 -13 -47 9  o 25.466  8.7548  107.319    65.408   42.173     102.149  152.592    85.156   21.444  9.5867  28.938  9.9870  -7.493591      13.84356 
1 1 1 -13 -47 10 o 16.782  7.4321  9.0991     59.937   -29.6210   89.265   40.887     80.881   17.502  8.2265  20.324  8.8261  -2.821741      12.06550 
1 1 1 -13 -47 11 o 51.542  6.0484  373.394    74.204   433.714    114.668  329.935    97.331   50.696  9.6749  44.531  9.3076  6.164520       13.42517 
1 1 1 -13 -47 12 o 35.518  7.7868  195.124    65.258   165.863    101.590  215.680    85.149   29.122  10.804  35.133  9.6792  -6.010935      14.50539 
1 1 1 -13 -47 13 o 18.939  7.7455  41.382     56.526   -4.7486    93.549   67.910     70.941   18.846  8.7101  21.798  8.7631  -2.951618      12.35549 
1 1 1 -13 -47 14 o 32.636  7.9693  167.126    62.561   231.693    105.334  131.937    77.762   34.386  11.093  27.449  9.5396  6.937077       14.63065 
1 1 1 -13 -47 15 o 19.156  7.2754  48.877     46.656   -49.3619   77.951   103.715    58.240   15.766  7.4926  25.435  8.2529  -9.669018      11.14672 
1 1 1 -13 -47 16 o 17.749  7.3263  31.463     51.165   140.125    79.626   -44.9550   66.775   28.262  9.6613  14.758  6.9906  13.50394       11.92515 
1 1 1 -13 -47 17 o 26.551  8.2757  112.728    59.069   14.093     87.798   194.295    79.841   19.455  8.7766  33.855  9.3905  -14.39977      12.85345 
1 1 1 -13 -47 18 o 17.946  7.5304  28.954     55.357   44.736     77.189   12.240     79.434   20.590  8.7767  18.805  8.4269  1.784643       12.16734 
1 1 1 -13 -47 19 o 25.141  9.4827  103.216    78.912   -27.6317   194.582  128.972    86.329   23.287  11.264  27.229  9.9840  -3.942120      15.05200 
1 1 1 -13 -47 20 o 13.978  6.6909  -59.7433   64.534   176.285    182.017  -93.6791   69.017   28.833  12.850  13.336  6.5095  15.49762       14.40488 
1 1 1 -13 -47 21 o 18.868  8.1017  27.491     66.641   -211.2053  172.967  69.100     72.216   19.170  9.5316  22.323  8.8866  -3.152180      13.03156 
1 1 1 -13 -47 22 o 27.617  9.5755  127.819    78.327   206.858    183.058  110.106    86.661   30.301  13.217  25.904  9.8969  4.396900       16.51190 
1 1 1 -13 -47 23 o 44.920  8.9594  317.887    94.229   700.102    200.179  209.088    106.801  57.016  14.451  33.385  11.190  23.63034       18.27706 
1 1 1 -13 -47 24 o 49.188  8.4456  369.423    97.169   517.555    201.620  324.609    110.897  45.143  15.374  43.306  10.632  1.837025       18.69212 
1 1 1 -13 -47 25 o 17.668  7.6489  16.554     60.363   46.157     166.551  12.077     64.766   24.819  11.524  17.789  7.8078  7.030535       13.91973 
1 1 1 -13 -47 26 o 25.331  8.3396  98.826     59.390   225.042    95.391   18.936     75.892   36.068  10.356  19.208  8.4407  16.86003       13.35989 
1 1 1 -13 -47 27 o 22.179  8.1584  69.973     57.710   142.288    87.101   13.386     77.049   28.902  10.093  18.997  8.4192  9.905336       13.14369 
1 1 1 -13 -47 28 o 19.333  7.7969  41.184     56.355   41.173     86.672   41.192     74.177   21.318  9.1971  20.549  8.6745  0.7690506      12.64253 
1 1 1 -13 -47 29 o 22.289  8.1504  70.845     57.475   13.660     85.342   118.308    77.751   19.693  8.7861  26.998  9.5282  -7.304960      12.96075 
1 1 1 -13 -47 30 o 16.367  7.1687  6.5586     54.342   90.915     81.618   -60.6132   72.832   24.604  9.5507  15.081  7.1884  9.522699       11.95366 
1 1 1 -13 -47 31 o 15.784  6.9738  1.4763     52.469   6.4048     84.787   -1.5825    66.795   19.276  8.6669  17.204  7.7173  2.071678       11.60483 
1 1 1 -13 -47 32 o 16.408  6.6820  23.904     41.846   -20.5774   85.860   37.762     47.923   18.082  8.3526  18.383  7.2641  -0.3008080     11.06951 
1 1 1 -13 -47 33 o 18.871  6.9836  45.673     42.397   -36.0615   88.924   69.719     48.232   17.702  8.2852  22.003  7.5192  -4.301695      11.18856 
1 1 1 -13 -47 34 o 30.934  8.1329  146.904    61.853   -16.4224   121.406  204.157    71.881   20.855  9.7346  36.511  8.3016  -15.65690      12.79371 
1 1 1 -13 -47 35 o 24.622  8.3320  92.562     59.216   71.911     120.754  99.100     67.946   24.411  10.689  25.213  8.9062  -0.8011875     13.91329 
1 1 1 -13 -47 36 f 50.583  12.770  496.313    156.750  496.313    156.750  0.0000     0.0000   50.583  12.770  ?       ?       0.000000       12.76973 
1 1 1 -13 -47 37 o 30.227  11.745  176.784    123.530  176.784    123.530  0.0000     0.0000   30.227  11.745  ?       ?       0.000000       11.74527 
1 1 1 -13 -47 38 o 22.489  7.6073  74.400     49.363   164.105    97.362   43.363     57.269   30.163  10.661  19.495  7.8607  10.66866       13.24531 
1 1 1 -13 -47 39 o 29.099  6.2067  119.942    42.486   61.797     97.007   133.742    47.260   22.820  9.7861  30.512  6.5772  -7.691780      11.79096 
1 1 1 -13 -47 40 o 13.601  5.9032  3.4630     36.139   165.805    100.934  -20.4089   38.705   29.962  10.824  12.178  5.6193  17.78346       12.19604 
1 1 1 -13 -47 41 o 13.780  6.1470  -4.5515    41.752   66.902     97.461   -20.6122   46.206   23.005  9.8355  13.361  6.1560  9.643938       11.60314 
1 1 1 -13 -47 42 o 14.546  6.0521  14.693     35.315   -3.6062    95.117   17.619     38.033   19.276  8.8633  15.196  6.2982  4.079981       10.87316 
1 1 1 -13 -47 43 o 13.711  5.7887  9.9016     33.039   -8.3741    95.695   12.375     35.204   19.073  8.8131  14.277  5.9986  4.796753       10.66088 
1 1 1 -13 -47 44 o 7.1419  3.5691  -65.0659   25.591   -117.1336  87.002   -60.1344   26.775   14.611  7.1687  7.6040  3.7756  7.006692       8.102177 
1 1 1 -13 -47 45 o 11.267  5.3782  -42.4520   41.087   57.775     101.920  -61.9010   44.897   22.438  9.8228  11.018  5.3493  11.41964       11.18492 
1 1 1 -13 -47 46 o 31.395  7.0718  146.648    52.577   141.283    127.451  147.748    57.717   27.195  11.419  30.960  7.7119  -3.765177      13.77959 
1 1 1 -13 -47 47 o 12.577  5.8839  -29.1392   44.763   0.0000     0.0000   -29.1392   44.763   ?       ?       12.577  5.8839  0.000000       5.883860 
1 1 1 -13 -47 48 o 22.394  7.8816  75.982     53.165   0.0000     0.0000   75.982     53.165   ?       ?       22.394  7.8816  0.000000       7.881607 
1 1 1 -13 -47 49 o 42.360  10.188  313.154    103.431  0.0000     0.0000   313.154    103.431  ?       ?       42.360  10.188  0.000000       10.18784 
1 1 1 -13 -47 50 o 13.494  6.3941  -43.2679   55.974   96.325     114.536  -87.0667   64.157   24.751  10.624  12.874  6.2823  11.87706       12.34269 
1 1 1 -13 -47 51 o 20.986  8.4088  58.617     65.086   13.216     136.441  71.992     74.055   22.037  10.298  22.384  8.9693  -0.3464775     13.65622 
1 1 1 -13 -47 52 o 50.325  5.3240  343.341    64.024   363.220    121.478  335.696    75.336   44.167  11.292  48.492  6.5722  -4.324284      13.06508 
1 1 1 -13 -47 53 o 30.276  7.3055  138.209    53.052   136.378    111.014  138.751    60.395   27.128  10.942  29.604  8.1499  -2.476177      13.64393 
1 1 1 -13 -47 54 o 17.014  7.0252  27.180     47.068   13.466     103.521  30.753     52.846   20.372  9.3226  17.836  7.4106  2.536581       11.90916 
1 1 1 -13 -47 55 o 9.5094  4.8311  -202.2088  59.695   -265.8879  166.740  -192.8467  63.933   17.678  8.8734  10.216  5.1700  7.461493       10.26968 
1 1 1 -13 -47 56 f 17.489  7.7963  10.410     67.050   57.120     185.391  3.3802     71.918   24.299  11.550  17.511  7.9174  6.788855       14.00323 
1 1 1 -13 -47 57 o 18.707  8.1317  29.465     68.781   48.071     188.420  26.604     73.880   23.832  11.415  18.870  8.3094  4.961979       14.11868 
1 1 1 -13 -47 58 o 22.750  8.9516  84.348     72.488   -0.0013    196.522  97.631     77.987   22.627  11.032  23.827  9.3118  -1.199976      14.43624 
1 1 1 -13 -46 1  o 13.317  6.4092  -60.2389   61.074   -70.3477   89.277   -51.3467   83.732   15.948  7.6933  16.083  7.6773  -0.1346350     10.86865 
1 1 1 -13 -46 2  o 16.319  7.3607  -0.9043    61.726   62.777     86.393   -67.3150   88.225   21.874  9.3037  16.048  7.7185  5.825821       12.08861 
1 1 1 -13 -46 3  o 17.041  7.5267  10.707     61.075   50.426     90.002   -23.1950   83.150   21.411  9.3045  17.305  8.0704  4.106705       12.31692 
1 1 1 -13 -46 4  o 24.175  8.7340  93.336     65.714   196.572    98.830   11.521     87.981   32.172  10.765  19.320  8.7445  12.85159       13.86875 
1 1 1 -13 -46 5  o 17.092  7.6436  4.3628     64.991   69.482     92.861   -58.1598   90.990   22.788  9.6674  16.756  7.9998  6.032255       12.54816 
1 1 1 -13 -46 6  o 38.812  8.0939  232.880    73.756   210.162    107.149  253.338    101.678  32.773  11.207  37.165  10.698  -4.392170      15.49328 
1 1 1 -13 -46 7  o 16.491  7.4297  -1.7516    62.679   -40.6238   90.477   34.120     86.915   17.325  8.1855  20.451  9.0087  -3.126204      12.17207 
1 1 1 -13 -46 8  o 36.272  8.1670  205.543    70.148   188.795    108.044  217.747    92.229   30.913  11.194  34.825  10.236  -3.912544      15.16879 
1 1 1 -13 -46 9  o 27.205  8.6051  120.699    63.624   130.130    103.762  115.017    80.543   26.783  10.655  25.988  9.6238  0.7946739      14.35802 
1 1 1 -13 -46 10 o 16.285  7.1694  7.7904     54.970   48.795     91.997   -14.9786   68.553   21.534  9.3822  16.377  7.5282  5.156935       12.02912 
1 1 1 -13 -46 11 o 15.513  6.9803  -4.2843    55.116   20.866     96.900   -16.3119   67.011   20.393  9.2083  16.162  7.4344  4.231144       11.83480 
1 1 1 -13 -46 12 o 21.956  7.9659  71.188     54.747   -7.7302    87.628   121.715    70.116   18.483  8.5017  27.067  9.0669  -8.584379      12.42930 
1 1 1 -13 -46 13 o 15.185  6.7070  2.1725     48.495   -61.3845   91.028   27.360     57.304   16.722  7.9888  18.027  7.6180  -1.305033      11.03878 
1 1 1 -13 -46 14 o 18.272  7.4388  35.147     51.841   96.849     86.379   0.4105     64.812   24.736  9.7595  16.939  7.5998  7.797441       12.36948 
1 1 1 -13 -46 15 o 23.047  7.7685  79.503     51.475   -18.6120   81.206   145.408    66.555   17.585  8.1229  30.131  8.6497  -12.54631      11.86583 
1 1 1 -13 -46 16 o 36.241  7.4326  194.111    63.165   88.095     92.964   285.024    86.088   24.403  9.9510  42.909  8.5685  -18.50676      13.13170 
1 1 1 -13 -46 17 o 9.5783  4.7604  -94.1910   42.960   -81.4791   64.757   -104.1836  57.414   13.281  6.4425  11.532  5.6900  1.749747       8.595499 
1 1 1 -13 -46 18 o 17.822  7.4413  26.363     53.656   51.934     77.914   3.2960     73.999   21.518  8.9743  18.175  8.1398  3.343386       12.11585 
1 1 1 -13 -46 19 o 32.726  7.7691  160.179    60.770   151.754    88.531   167.686    83.568   29.837  10.187  31.640  9.8404  -1.803366      14.16380 
1 1 1 -13 -46 20 o 34.370  7.4254  172.854    60.116   233.374    89.239   122.570    81.342   37.859  9.6775  27.475  9.7405  10.38473       13.73062 
1 1 1 -13 -46 21 o 25.746  8.3457  100.719    59.567   122.107    80.982   75.504     87.928   27.511  9.7226  23.804  9.6889  3.707563       13.72603 
1 1 1 -13 -46 22 o 22.186  8.8674  61.845     72.181   191.019    170.732  33.732     79.650   31.043  13.136  20.624  8.8564  10.41943       15.84228 
1 1 1 -13 -46 23 o 28.410  9.5406  129.375    77.635   237.925    173.924  102.365    86.758   33.346  13.606  25.914  9.9021  7.432215       16.82776 
1 1 1 -13 -46 24 o 23.735  9.0792  78.955     72.987   123.909    169.407  68.709     80.878   28.422  12.546  23.189  9.3446  5.233051       15.64326 
1 1 1 -13 -46 25 o 22.312  8.9013  61.880     72.597   241.499    157.533  13.449     81.800   34.275  13.279  19.678  8.7001  14.59689       15.87500 
1 1 1 -13 -46 26 o 23.271  8.9859  73.347     71.957   -59.7315   163.418  105.355    80.145   22.466  10.725  26.240  9.6200  -3.773705      14.40722 
1 1 1 -13 -46 27 o 13.741  6.4770  -44.5123   56.040   -149.6144  142.588  -25.3122   60.944   19.072  9.3198  15.384  7.0814  3.688523       11.70486 
1 1 1 -13 -46 28 o 31.622  7.8325  147.681    59.785   175.066    91.878   127.571    78.734   32.396  10.351  28.372  9.6074  4.023300       14.12230 
1 1 1 -13 -46 29 o 19.342  7.7552  39.260     55.400   11.797     86.257   58.543     72.279   20.009  8.8858  22.092  8.8580  -2.083311      12.54678 
1 1 1 -13 -46 30 o 23.004  8.0936  74.876     56.058   99.775     87.798   57.739     72.838   25.905  9.9463  22.061  8.8757  3.844284       13.33069 
1 1 1 -13 -46 31 o 22.954  7.2117  75.076     44.757   147.239    89.207   50.801     51.740   29.943  10.226  20.219  7.6658  9.723896       12.78034 
1 1 1 -13 -46 32 o 12.010  5.6181  -31.2562   40.798   -13.6672   82.180   -37.0089   46.998   18.341  8.3596  12.740  5.9822  5.600571       10.27964 
1 1 1 -13 -46 33 o 19.527  7.1191  48.853     43.803   -29.8418   88.066   74.721     50.492   18.155  8.4117  22.893  7.6940  -4.738903      11.39978 
1 1 1 -13 -46 34 o 12.019  5.6557  -35.8550   42.395   205.265    89.019   -106.5842  48.213   35.477  9.9423  10.134  5.0377  25.34287       11.14579 
1 1 1 -13 -46 35 o 22.760  9.9789  41.002     105.545  41.002     105.545  0.0000     0.0000   22.760  9.9789  ?       ?       0.000000       9.978932 
1 1 1 -13 -46 36 o 32.434  11.847  194.016    121.398  194.016    121.398  0.0000     0.0000   32.434  11.847  ?       ?       0.000000       11.84745 
1 1 1 -13 -46 37 o 27.504  8.5979  116.390    63.705   146.541    116.736  103.603    76.024   29.151  11.393  25.955  9.3915  3.195974       14.76450 
1 1 1 -13 -46 38 o 19.242  7.1577  46.728     44.651   19.740     111.448  51.888     48.733   21.953  9.8974  20.060  7.4745  1.893377       12.40274 
1 1 1 -13 -46 39 o 40.952  5.1496  222.999    50.038   323.318    113.029  198.545    55.805   43.620  10.749  37.824  6.3023  5.796833       12.46009 
1 1 1 -13 -46 40 o 22.342  6.6515  71.185     38.741   157.960    99.256   55.589     42.079   30.066  10.749  20.165  7.0169  9.900578       12.83651 
1 1 1 -13 -46 41 o 15.144  6.0934  20.161     34.333   48.873     97.462   16.094     36.684   22.423  9.7132  15.001  6.1987  7.421906       11.52256 
1 1 1 -13 -46 42 o 13.613  5.6968  10.197     31.549   -59.5399   93.334   19.192     33.522   17.233  8.1925  14.909  6.0133  2.323821       10.16252 
1 1 1 -13 -46 43 o 36.940  5.1999  183.316    45.317   65.308     105.360  210.103    50.198   23.505  10.141  39.449  5.3849  -15.94368      11.48175 
1 1 1 -13 -46 44 o 13.215  5.7448  2.0799     34.333   39.924     97.143   -3.3221    36.702   21.695  9.5412  13.132  5.8159  8.562159       11.17405 
1 1 1 -13 -46 45 o 14.685  5.9742  17.876     33.406   -71.1982   98.250   29.520     35.523   17.154  8.2231  16.306  6.3088  0.8482075      10.36440 
1 1 1 -13 -46 46 o 14.966  6.6174  0.6187     47.334   0.0000     0.0000   0.6187     47.334   ?       ?       14.966  6.6174  0.000000       6.617402 
1 1 1 -13 -46 47 f 11.235  5.4404  -60.7120   45.680   0.0000     0.0000   -60.7120   45.680   ?       ?       11.235  5.4404  0.000000       5.440408 
1 1 1 -13 -46 48 o 22.366  7.6107  74.335     49.410   12.092     139.408  83.277     52.840   22.362  10.436  23.416  7.8709  -1.053522      13.07150 
1 1 1 -13 -46 49 o 28.986  7.2514  125.777    50.873   263.230    105.023  83.636     58.151   37.952  10.857  23.390  8.2418  14.56169       13.63070 
1 1 1 -13 -46 50 o 22.915  8.6253  78.651     65.215   -137.7047  134.206  145.529    74.616   18.088  8.8808  29.402  9.3208  -11.31376      12.87421 
1 1 1 -13 -46 51 o 14.529  6.7526  -27.3998   57.417   -9.2467    128.109  -31.9629   64.229   21.119  9.9036  15.141  7.0721  5.977374       12.16944 
1 1 1 -13 -46 52 o 12.339  5.9306  -57.4191   51.853   -129.5025  112.998  -38.1915   58.360   16.732  8.2014  14.122  6.6423  2.609953       10.55382 
1 1 1 -13 -46 53 o 47.873  5.5787  312.265    63.587   442.311    124.656  266.526    73.928   50.853  10.452  42.480  7.4436  8.372658       12.83161 
1 1 1 -13 -46 54 o 18.930  7.3341  44.493     48.058   98.902     104.499  29.900     54.121   25.105  10.425  18.005  7.4918  7.099403       12.83785 
1 1 1 -13 -46 55 o 20.114  7.5010  55.200     49.099   -41.5506   106.604  81.250     55.315   18.688  8.8465  23.143  8.0456  -4.454128      11.95792 
1 1 1 -13 -46 56 o 22.767  8.8991  76.618     71.236   -92.2059   189.288  104.474    76.889   21.772  10.660  25.223  9.3906  -3.451307      14.20606 
1 1 1 -13 -46 57 o 16.511  7.5250  -8.0832    66.576   47.661     186.120  -16.2625   71.294   24.474  11.616  16.563  7.6368  7.911890       13.90112 
1 1 1 -13 -46 58 o 30.035  9.5845  159.502    78.798   22.411     204.215  183.483    85.412   23.971  11.581  31.840  9.9559  -7.868973      15.27241 
1 1 1 -13 -46 59 o 12.653  6.1797  -83.6047   62.458   218.404    174.305  -128.0944  66.900   28.924  12.749  11.922  5.9279  17.00198       14.05936 
1 1 1 -13 -45 1  f 27.504  8.9412  125.088    68.348   71.872     98.262   174.966    95.130   23.166  9.8893  30.729  10.558  -7.563585      14.46654 
1 1 1 -13 -45 2  o 18.632  7.8808  30.671     61.416   126.875    88.908   -57.1362   84.940   27.043  10.092  16.313  7.7722  10.72952       12.73801 
1 1 1 -13 -45 3  o 19.398  8.0670  38.993     62.701   138.510    97.597   -30.9478   81.819   27.842  10.535  17.057  7.9719  10.78462       13.21128 
1 1 1 -13 -45 4  o 17.370  7.6041  13.001     61.072   -96.5292   91.576   100.735    81.960   15.716  7.6323  25.035  9.6106  -9.319274      12.27250 
1 1 1 -13 -45 5  o 29.855  8.9025  145.867    69.358   160.885    98.387   131.030    97.791   29.557  10.686  27.239  10.487  2.318510       14.97221 
1 1 1 -13 -45 6  o 42.415  7.5802  267.973    75.149   202.729    108.875  327.340    103.856  32.344  11.285  44.069  9.9483  -11.72510      15.04402 
1 1 1 -13 -45 7  o 25.489  8.7771  104.160    65.755   -12.8348   101.130  189.846    86.547   19.352  8.9834  32.991  9.9689  -13.63913      13.41945 
1 1 1 -13 -45 8  o 26.353  8.3408  109.757    59.769   168.749    98.204   75.049     75.327   30.248  10.705  22.853  9.0828  7.395077       14.03889 
1 1 1 -13 -45 9  o 17.486  7.4006  23.341     54.212   23.335     89.875   23.345     67.968   20.271  9.0323  18.688  8.1034  1.583038       12.13459 
1 1 1 -13 -45 10 o 17.215  7.3583  19.147     54.524   5.1033     88.267   27.813     69.334   19.297  8.7439  19.132  8.2401  0.1646862      12.01484 
1 1 1 -13 -45 11 o 18.242  7.4789  32.912     52.865   38.539     88.991   29.843     65.718   21.159  9.2229  19.040  8.1067  2.119402       12.27930 
1 1 1 -13 -45 12 o 23.589  8.0279  83.262     54.975   60.204     92.715   95.765     68.271   22.707  9.6477  24.859  8.9118  -2.152044      13.13388 
1 1 1 -13 -45 13 o 26.803  7.9911  109.469    55.887   80.849     100.654  122.225    67.197   24.367  10.184  27.756  8.8502  -3.388760      13.49258 
1 1 1 -13 -45 14 o 27.363  7.9007  113.120    55.383   24.502     87.992   171.260    71.272   20.559  9.0599  33.073  8.7471  -12.51376      12.59341 
1 1 1 -13 -45 15 o 32.111  7.7469  153.205    59.665   131.878    89.083   170.555    80.350   28.254  10.174  32.358  9.5665  -4.103920      13.96560 
1 1 1 -13 -45 16 o 17.545  7.2566  25.267     50.340   27.670     77.156   23.485     66.426   20.094  8.6734  18.932  8.1078  1.162262       11.87284 
1 1 1 -13 -45 17 o 47.869  5.9417  310.332    67.528   285.216    100.303  331.153    91.326   42.062  9.9785  47.342  8.2503  -5.280029      12.94749 
1 1 1 -13 -45 18 o 14.151  6.4457  -17.6278   48.760   -15.9779   71.001   -19.1004   67.080   17.087  7.7811  16.477  7.5266  0.6094017      10.82568 
1 1 1 -13 -45 19 o 17.331  7.2825  19.755     51.893   61.223     75.162   -18.0166   71.734   22.513  9.0308  17.096  7.7992  5.416874       11.93239 
1 1 1 -13 -45 20 f 16.766  7.1732  12.494     51.904   -6.2524    75.445   29.340     71.519   18.144  8.1651  19.956  8.4760  -1.811834      11.76907 
1 1 1 -13 -45 21 o 27.642  7.8060  111.954    54.656   154.522    81.706   77.480     73.530   31.191  9.7350  23.895  9.1195  7.295940       13.33925 
1 1 1 -13 -45 22 o 35.485  7.3116  178.994    60.860   216.779    92.100   149.705    81.086   36.815  10.035  30.795  9.7116  6.019857       13.96509 
1 1 1 -13 -45 23 o 28.934  7.7232  121.777    55.234   174.505    87.322   86.610     71.313   33.027  10.021  24.745  9.0741  8.282288       13.51885 
1 1 1 -13 -45 24 o 24.188  8.3484  83.009     59.505   92.791     87.577   74.620     81.101   25.717  9.9181  24.068  9.4691  1.648518       13.71250 
1 1 1 -13 -45 25 o 34.221  9.3639  180.721    80.009   157.009    163.017  188.245    91.830   30.846  12.932  34.213  10.253  -3.367544      16.50321 
1 1 1 -13 -45 26 o 50.029  7.9423  357.145    93.189   369.288    178.678  352.607    109.220  42.454  14.473  47.981  9.7147  -5.526493      17.43083 
1 1 1 -13 -45 27 o 35.489  9.0154  190.535    77.785   198.790    161.783  188.053    88.712   33.071  13.255  34.451  10.014  -1.379772      16.61286 
1 1 1 -13 -45 28 o 17.280  7.7216  -6.4041    66.183   -26.1234   141.513  -0.8835    74.877   22.764  10.587  18.545  8.2552  4.218712       13.42505 
1 1 1 -13 -45 29 o 39.577  9.0262  235.218    84.758   112.415    163.413  280.414    99.136   28.977  12.565  42.601  9.7953  -13.62418      15.93176 
1 1 1 -13 -45 30 o 19.948  6.9511  51.722     41.301   -19.5066   85.230   73.581     47.215   18.627  8.4991  22.975  7.4283  -4.347713      11.28782 
1 1 1 -13 -45 31 f 37.324  5.7404  186.234    50.322   193.898    95.197   183.263    59.281   34.638  10.453  36.247  6.9936  -1.609360      12.57658 
1 1 1 -13 -45 32 o 45.611  4.9722  270.829    54.136   313.941    101.581  253.727    63.979   45.407  9.5240  43.296  6.2728  2.110641       11.40413 
1 1 1 -13 -45 33 o 51.142  6.5178  355.601    79.042   388.548    109.097  319.200    114.674  51.017  9.1493  44.458  10.749  6.559292       14.11554 
1 1 1 -13 -45 34 o 33.757  10.664  187.002    97.739   187.002    97.739   0.0000     0.0000   33.757  10.664  ?       ?       0.000000       10.66412 
1 1 1 -13 -45 35 o 16.602  7.8598  -63.3634   84.205   -63.3634   84.205   0.0000     0.0000   16.602  7.8598  ?       ?       0.000000       7.859817 
1 1 1 -13 -45 36 o 23.681  7.3847  79.498     47.027   195.106    92.504   39.207     54.611   34.715  10.265  19.420  7.7288  15.29574       12.84921 
1 1 1 -13 -45 37 o 30.216  7.2050  130.351    52.080   76.017     117.002  143.777    58.160   25.521  10.840  31.466  7.6841  -5.944576      13.28763 
1 1 1 -13 -45 38 o 15.719  6.5183  16.216     40.768   96.894     110.022  3.3749     43.893   26.431  10.807  14.997  6.5075  11.43391       12.61518 
1 1 1 -13 -45 39 o 12.845  5.6853  -5.1510    35.020   -89.0202   107.648  4.7755     37.034   17.950  8.6053  14.069  6.0402  3.881322       10.51360 
1 1 1 -13 -45 40 o 22.927  7.2674  74.662     45.362   27.802     117.955  82.796     49.141   22.986  10.287  23.968  7.5605  -0.9822063     12.76652 
1 1 1 -13 -45 41 o 40.173  4.8943  211.855    46.722   138.950    103.344  230.584    52.381   28.974  10.867  41.669  5.3007  -12.69574      12.09104 
1 1 1 -13 -45 42 o 18.350  6.6800  42.162     38.546   136.113    92.972   22.661     42.358   28.768  10.389  16.470  6.7166  12.29786       12.37142 
1 1 1 -13 -45 43 o 22.768  6.8244  73.870     40.679   136.539    95.614   60.019     44.950   28.649  10.507  20.896  7.2534  7.753626       12.76733 
1 1 1 -13 -45 44 f 28.255  6.4271  112.768    43.069   234.767    101.145  85.748     47.600   36.902  10.683  24.206  7.4100  12.69585       13.00156 
1 1 1 -13 -45 45 o 22.730  7.0636  74.523     43.069   0.0000     0.0000   74.523     43.069   ?       ?       22.730  7.0636  0.000000       7.063616 
1 1 1 -13 -45 46 o 25.960  7.0044  98.389     45.140   0.0000     0.0000   98.389     45.140   ?       ?       25.960  7.0044  0.000000       7.004445 
1 1 1 -13 -45 47 o 29.256  7.4221  127.281    52.770   119.196    118.407  129.285    58.948   26.887  11.126  29.015  8.0762  -2.128283      13.74787 
1 1 1 -13 -45 48 o 13.772  6.3955  -27.6949   51.336   -38.4991   91.265   -22.6945   62.089   17.760  8.3384  15.457  7.1270  2.302995       10.96921 
1 1 1 -13 -45 49 o 12.987  5.9201  -15.1178   41.228   72.621     85.843   -41.4225   47.003   23.175  9.5191  12.378  5.8637  10.79680       11.18015 
1 1 1 -13 -45 50 o 22.705  7.4272  75.965     47.134   79.452     97.819   74.911     53.790   23.965  10.030  22.561  7.9288  1.403952       12.78557 
1 1 1 -13 -45 51 o 15.038  6.9590  -25.2285   59.999   137.029    129.408  -69.6583   67.717   27.673  11.556  14.054  6.7601  13.61940       13.38769 
1 1 1 -13 -45 52 o 30.415  9.1458  151.600    72.975   119.811    137.435  164.081    86.117   26.848  11.582  30.780  10.038  -3.932447      15.32671 
1 1 1 -13 -45 53 o 26.609  9.0754  114.161    70.260   47.145     135.692  138.712    82.128   23.737  10.789  28.602  9.8114  -4.865307      14.58319 
1 1 1 -13 -45 54 o 25.163  7.8222  96.080     52.812   82.430     110.757  100.097    60.081   24.568  10.494  25.408  8.3891  -0.8402557     13.43505 
1 1 1 -13 -45 55 o 10.483  5.0692  -53.4997   39.324   -76.2246   96.961   -49.0261   43.020   16.939  8.1330  11.350  5.4408  5.589574       9.785060 
1 1 1 -13 -45 56 o 22.956  7.6673  78.247     50.139   128.070    110.998  65.475     56.199   27.186  10.950  21.572  8.0290  5.614445       13.57825 
1 1 1 -13 -45 57 o 12.219  5.9955  -96.2986   60.861   -129.0172  182.655  -92.2123   64.550   21.069  10.347  12.841  6.2741  8.227250       12.10085 
1 1 1 -13 -45 58 o 21.032  8.6771  54.142     71.720   -89.0871   186.689  78.940     77.681   21.806  10.657  23.151  9.2165  -1.344454      14.08992 
1 1 1 -13 -45 59 o 29.783  9.8408  157.484    82.668   270.233    181.066  127.792    92.918   31.965  13.527  26.744  10.241  5.220976       16.96589 
1 1 1 -13 -44 1  o 22.948  8.6200  77.006     65.071   -10.2853   92.610   162.122    91.449   18.994  8.7380  30.323  10.354  -11.32937      13.54818 
1 1 1 -13 -44 2  o 49.191  6.5049  339.827    75.736   454.111    114.653  251.354    100.878  53.717  9.1229  37.825  10.578  15.89175       13.96862 
1 1 1 -13 -44 3  f 22.856  8.5060  76.578     63.073   69.345     94.167   82.463     84.941   23.228  9.7880  23.831  9.5858  -0.6026688     13.70008 
1 1 1 -13 -44 4  o 19.135  8.0144  34.569     62.511   -38.0542   90.821   99.947     86.171   17.688  8.3089  25.163  9.8008  -7.474606      12.84881 
1 1 1 -13 -44 5  o 23.552  8.5756  83.537     63.533   68.611     90.418   98.093     89.290   23.041  9.6434  25.057  9.9109  -2.016081      13.82831 
1 1 1 -13 -44 6  o 30.861  8.5722  150.627    66.483   158.850    96.000   143.049    92.160   29.832  10.581  28.638  10.344  1.193829       14.79702 
1 1 1 -13 -44 7  o 31.133  7.9853  148.097    60.614   212.671    98.056   108.162    77.112   34.575  10.644  25.957  9.4484  8.617805       14.23252 
1 1 1 -13 -44 8  o 33.807  7.5648  169.599    60.502   136.326    99.955   188.840    76.008   28.095  10.654  34.388  9.0034  -6.293739      13.94885 
1 1 1 -13 -44 9  o 22.105  8.1032  68.859     56.863   31.368     92.325   91.773     72.177   21.169  9.3061  24.614  9.1113  -3.444355      13.02378 
1 1 1 -13 -44 10 o 17.728  7.3121  27.367     50.914   14.289     85.896   34.451     63.216   19.890  8.8485  19.390  8.0849  0.4997120      11.98596 
1 1 1 -13 -44 11 o 13.672  6.3379  -28.1201   50.092   -50.6773   82.196   -14.7926   63.180   16.624  7.8385  16.173  7.3554  0.4511185      10.74911 
1 1 1 -13 -44 12 o 39.909  6.8472  223.880    63.918   238.540    104.339  215.073    80.869   37.270  10.868  37.217  9.0441  0.5374527E-01  14.13912 
1 1 1 -13 -44 13 o 21.199  7.8559  58.953     53.687   147.770    87.911   6.1264     67.799   30.065  10.152  18.018  7.9458  12.04705       12.89186 
1 1 1 -13 -44 14 o 24.859  7.8074  89.885     52.460   111.534    77.421   71.508     71.332   26.985  9.5097  23.226  8.9529  3.759298       13.06093 
1 1 1 -13 -44 15 o 51.346  5.5420  349.553    67.951   434.540    99.074   274.063    93.374   55.403  7.5677  42.240  9.3569  13.16380       12.03422 
1 1 1 -13 -44 16 o 32.620  7.5354  152.983    58.441   169.392    86.106   138.968    79.576   32.585  9.9648  29.823  9.6439  2.762392       13.86728 
1 1 1 -13 -44 17 o 30.914  7.8275  138.850    58.773   130.492    93.117   144.384    75.773   28.902  10.403  30.612  9.3453  -1.709726      13.98408 
1 1 1 -13 -44 18 o 28.852  7.7616  120.420    55.524   146.633    82.160   98.385     75.330   30.685  9.7863  26.062  9.3592  4.622728       13.54128 
1 1 1 -13 -44 19 o 50.860  5.7168  342.204    69.327   301.544    100.907  378.556    95.410   44.522  9.6215  51.753  7.8438  -7.230690      12.41359 
1 1 1 -13 -44 20 o 24.755  7.8140  86.807     52.485   91.852     76.208   82.254     72.388   25.593  9.3811  24.608  9.1215  0.9857578      13.08457 
1 1 1 -13 -44 21 o 49.590  5.6923  324.342    67.252   290.774    99.313   352.772    91.396   43.871  9.5967  50.125  7.7659  -6.253620      12.34528 
1 1 1 -13 -44 22 o 31.695  7.7925  143.729    59.508   97.212     91.699   177.570    78.214   26.555  10.172  34.369  9.1977  -7.814579      13.71392 
1 1 1 -13 -44 23 o 26.503  7.9051  100.218    54.683   181.826    85.239   43.142     71.285   34.441  9.7561  21.336  8.7087  13.10440       13.07759 
1 1 1 -13 -44 24 o 46.790  5.8559  289.487    65.027   338.465    100.111  253.741    85.526   48.276  8.8735  41.769  8.7203  6.506386       12.44116 
1 1 1 -13 -44 25 o 15.804  6.9287  -1.3765    50.878   -64.7574   82.263   37.888     64.748   16.542  7.8125  20.428  8.3144  -3.885517      11.40898 
1 1 1 -13 -44 26 f 15.976  6.9654  1.0258     50.788   62.471     80.319   -39.9099   65.558   23.499  9.3666  15.547  7.2223  7.952610       11.82769 
1 1 1 -13 -44 27 o 46.368  8.2397  304.989    89.307   183.465    174.584  348.058    103.934  33.286  13.612  48.848  9.1038  -15.56276      16.37600 
1 1 1 -13 -44 28 o 26.906  9.3210  103.582    74.211   50.774     147.452  121.496    85.880   26.509  11.703  28.677  10.022  -2.167641      15.40746 
1 1 1 -13 -44 29 o 21.436  8.6986  44.145     70.612   124.871    143.173  18.198     81.171   29.886  12.287  20.533  8.8795  9.352547       15.15928 
1 1 1 -13 -44 30 o 42.876  10.175  281.423    104.271  0.0000     0.0000   281.423    104.271  ?       ?       42.876  10.175  0.000000       10.17545 
1 1 1 -13 -44 31 o 26.027  9.8963  90.747     86.387   0.0000     0.0000   90.747     86.387   ?       ?       26.027  9.8963  0.000000       9.896311 
1 1 1 -13 -44 32 o 18.210  8.3162  -25.3319   81.834   -25.3319   81.834   0.0000     0.0000   18.210  8.3162  ?       ?       0.000000       8.316237 
1 1 1 -13 -44 33 f 24.918  10.070  72.108     94.214   72.108     94.214   0.0000     0.0000   24.918  10.070  ?       ?       0.000000       10.07012 
1 1 1 -13 -44 34 f 21.603  9.3875  22.456     91.607   22.456     91.607   0.0000     0.0000   21.603  9.3875  ?       ?       0.000000       9.387538 
1 1 1 -13 -44 35 o 32.093  6.8393  142.393    51.628   153.897    100.300  138.246    60.219   31.275  10.836  31.003  7.9633  0.2724037      13.44749 
1 1 1 -13 -44 36 o 39.763  4.9365  205.243    46.604   204.537    105.204  205.415    51.982   35.464  11.043  39.431  5.5897  -3.966446      12.37698 
1 1 1 -13 -44 37 o 19.673  6.5288  50.848     36.372   59.950     92.188   49.170     39.584   23.827  9.8346  19.592  6.8063  4.235327       11.96016 
1 1 1 -13 -44 38 o 51.618  5.9488  354.296    73.144   529.645    150.330  299.910    83.722   57.624  11.155  46.095  7.7613  11.52923       13.58934 
1 1 1 -13 -44 39 o 20.183  7.2542  51.703     45.263   -48.6433   124.843  66.890     48.568   20.946  9.8080  22.184  7.5456  -1.237858      12.37467 
1 1 1 -13 -44 40 o 32.652  7.1163  150.095    54.788   155.623    137.072  149.044    59.770   30.772  12.245  32.140  7.7537  -1.367949      14.49373 
1 1 1 -13 -44 41 f 28.760  7.5175  119.108    53.047   223.767    128.476  97.599     58.243   35.349  12.263  25.877  8.2383  9.472153       14.77345 
1 1 1 -13 -44 42 o 50.090  4.5692  323.515    54.923   392.902    109.992  300.468    63.392   51.087  9.2123  47.574  5.5988  3.513412       10.78019 
1 1 1 -13 -44 43 f 26.344  7.1022  99.197     46.432   0.0000     0.0000   99.197     46.432   ?       ?       26.344  7.1022  0.000000       7.102201 
1 1 1 -13 -44 44 o 16.453  6.5076  26.029     38.496   0.0000     0.0000   26.029     38.496   ?       ?       16.453  6.5076  0.000000       6.507591 
1 1 1 -13 -44 45 o 18.163  6.8140  39.183     40.636   0.0000     0.0000   39.183     40.636   ?       ?       18.163  6.8140  0.000000       6.814018 
1 1 1 -13 -44 46 f 15.965  6.2682  25.270     35.470   16.850     103.944  26.380     37.735   21.481  9.6320  16.349  6.4505  5.132092       11.59242 
1 1 1 -13 -44 47 o 25.908  6.3899  94.808     39.918   61.673     74.651   108.077    47.240   22.312  8.9824  27.313  7.0723  -5.000517      11.43248 
1 1 1 -13 -44 48 o 19.445  7.5794  44.767     51.566   50.928     74.993   39.242     71.020   21.442  8.8617  20.340  8.5318  1.101831       12.30131 
1 1 1 -13 -44 49 o 23.013  7.3729  77.031     46.594   19.515     95.747   94.877     53.335   20.825  9.2976  25.156  7.8676  -4.330915      12.17967 
1 1 1 -13 -44 50 o 36.709  6.2715  187.776    53.854   202.665    108.062  182.855    62.118   33.208  11.255  35.268  7.4904  -2.059345      13.51998 
1 1 1 -13 -44 51 o 21.598  7.6234  66.026     49.772   70.341     103.021  64.712     56.846   23.827  10.148  21.647  8.0714  2.180201       12.96623 
1 1 1 -13 -44 52 o 27.540  9.0651  121.491    70.174   97.808     134.708  130.311    82.209   26.088  11.360  28.014  9.8045  -1.926029      15.00595 
1 1 1 -13 -44 53 o 15.554  7.0888  -15.0943   59.084   79.741     121.504  -44.4639   67.617   24.912  10.818  15.128  7.1259  9.784022       12.95442 
1 1 1 -13 -44 54 o 17.724  7.1180  32.041     46.753   112.103    123.369  18.615     50.521   26.661  11.217  16.878  7.1439  9.782558       13.29891 
1 1 1 -13 -44 55 o 53.563  5.3390  383.208    68.464   302.315    135.000  411.216    79.437   39.011  12.555  54.781  6.0787  -15.76981      13.94950 
1 1 1 -13 -44 56 o 18.536  7.3185  38.508     48.606   15.010     99.227   45.926     55.752   20.786  9.3582  19.764  7.8270  1.022602       12.19986 
1 1 1 -13 -44 57 o 16.220  7.4544  -20.2288   67.167   42.724     178.114  -30.6651   72.521   25.214  11.777  16.305  7.5817  8.908770       14.00613 
1 1 1 -13 -44 58 o 22.579  8.9848  69.569     73.793   62.005     186.921  70.966     80.316   25.798  12.054  22.914  9.2845  2.884142       15.21555 
1 1 1 -13 -44 59 o 19.183  8.3335  25.406     72.149   181.582    187.435  -1.7595    78.173   29.254  13.039  18.128  8.2203  11.12610       15.41373 
1 1 1 -13 -44 60 o 23.397  9.1329  83.119     74.952   -245.8700  197.519  138.460    81.011   19.732  9.8690  28.248  9.7413  -8.515846      13.86689 
1 1 1 -13 -43 1  f 43.844  7.3133  278.242    75.060   351.894    116.580  226.092    98.099   45.252  10.773  36.016  10.548  9.235439       15.07714 
1 1 1 -13 -43 2  o 24.932  8.4648  95.178     61.121   198.951    92.721   15.436     81.280   33.906  10.335  19.474  8.6381  14.43197       13.46941 
1 1 1 -13 -43 3  o 41.750  7.2447  252.009    70.730   291.444    107.358  221.765    94.018   41.062  10.676  36.001  10.263  5.060997       14.80894 
1 1 1 -13 -43 4  o 26.831  8.7662  113.142    65.667   197.767    95.652   37.703     90.312   33.616  10.540  21.372  9.3040  12.24407       14.05892 
1 1 1 -13 -43 5  o 32.460  8.6409  164.511    69.261   155.847    99.946   172.516    96.070   29.806  10.771  31.384  10.613  -1.577684      15.12078 
1 1 1 -13 -43 6  o 27.449  8.1146  114.583    57.814   34.362     91.444   168.000    74.619   21.375  9.3322  32.477  9.1032  -11.10200      13.03677 
1 1 1 -13 -43 7  o 21.436  8.0184  61.399     56.190   127.053    92.314   22.758     70.820   27.874  10.307  19.242  8.3077  8.631660       13.23821 
1 1 1 -13 -43 8  o 15.422  6.8685  -4.6685    51.910   -83.2168   89.487   35.169     63.729   16.269  7.8118  19.617  8.1434  -3.347694      11.28446 
1 1 1 -13 -43 9  o 19.193  7.6369  39.245     53.309   26.956     85.484   47.066     68.193   20.825  9.0588  20.958  8.5318  -0.1330280     12.44407 
1 1 1 -13 -43 10 o 15.346  6.8042  -3.9128    50.381   -56.3647   81.613   28.381     64.039   16.504  7.7905  19.254  8.0903  -2.750366      11.23139 
1 1 1 -13 -43 11 o 34.695  7.1210  170.012    57.939   84.845     97.126   217.061    72.190   25.346  10.231  38.679  7.9575  -13.33298      12.96129 
1 1 1 -13 -43 12 o 43.695  6.3256  259.136    65.114   366.219    108.988  199.698    81.199   49.116  9.4886  36.129  9.2292  12.98767       13.23675 
1 1 1 -13 -43 13 o 39.396  6.3615  210.960    58.738   265.183    88.473   168.220    78.547   42.238  8.9127  33.100  9.3615  9.138245       12.92575 
1 1 1 -13 -43 14 o 24.851  7.8352  87.694     52.782   181.883    78.681   10.622     71.173   34.657  9.2021  18.933  8.2505  15.72408       12.35924 
1 1 1 -13 -43 15 o 18.556  7.4328  31.958     50.836   -2.2315    75.366   60.499     68.860   18.640  8.2906  22.545  8.7667  -3.905397      12.06610 
1 1 1 -13 -43 16 o 30.260  7.6394  130.279    56.099   206.062    81.462   61.926     77.367   37.212  9.0982  23.218  9.2122  13.99425       12.94765 
1 1 1 -13 -43 17 o 23.718  7.8616  77.335     52.745   31.931     76.665   118.139    72.679   21.005  8.8404  28.353  9.2203  -7.347794      12.77367 
1 1 1 -13 -43 18 o 23.087  7.8252  71.877     52.232   19.738     75.456   119.843    72.375   20.125  8.6305  28.601  9.1917  -8.476088      12.60848 
1 1 1 -13 -43 19 o 44.372  5.8558  259.561    61.506   255.694    88.953   263.103    85.137   41.887  9.0190  42.925  8.4749  -1.038433      12.37601 
1 1 1 -13 -43 20 o 66.918  4.9353  573.334    79.569   625.846    115.508  525.912    109.767  68.099  7.0947  62.084  7.4345  6.014507       10.27648 
1 1 1 -13 -43 21 o 38.819  6.6856  203.534    60.701   149.070    91.793   245.859    80.919   31.410  10.369  41.688  8.2915  -10.27865      13.27670 
1 1 1 -13 -43 22 o 58.036  5.1407  433.082    71.642   491.881    108.529  387.673    95.374   59.953  7.6338  53.174  7.6090  6.778576       10.77830 
1 1 1 -13 -43 23 o 34.448  6.9229  161.903    55.857   106.566    85.276   203.489    73.924   27.628  9.9541  37.907  8.2697  -10.27935      12.94111 
1 1 1 -13 -43 24 o 42.570  6.2328  240.310    62.473   310.088    97.167   191.138    81.568   46.563  8.9251  36.112  9.2637  10.45071       12.86365 
1 1 1 -13 -43 25 o 12.900  6.0522  -41.5231   47.939   67.433     76.144   -113.0701  61.703   23.939  9.2438  12.217  6.0029  11.72216       11.02188 
1 1 1 -13 -43 26 o 16.322  7.0257  4.8115     50.343   -23.4439   81.199   22.454     64.163   18.429  8.3649  19.360  8.1146  -0.9305210     11.65410 
1 1 1 -13 -43 27 o 28.152  7.7796  110.986    54.909   85.014     84.634   129.863    72.156   25.845  9.8030  29.964  9.1133  -4.119263      13.38468 
1 1 1 -13 -43 28 o 15.165  6.8432  -17.9204   53.413   -55.3476   79.123   13.416     72.399   16.723  7.8232  19.590  8.4289  -2.867476      11.49995 
1 1 1 -13 -43 29 o 27.905  9.2961  110.446    73.715   52.928     141.397  131.914    86.383   26.826  11.660  30.034  10.064  -3.208782      15.40240 
1 1 1 -13 -43 30 o 14.074  6.7141  -69.9444   63.818   66.080     136.143  -108.2516  72.248   27.173  11.621  13.866  6.7442  13.30676       13.43640 
1 1 1 -13 -43 31 o 41.879  13.639  305.403    159.011  305.403    159.011  0.0000     0.0000   41.879  13.639  ?       ?       0.000000       13.63907 
1 1 1 -13 -43 32 o 40.933  13.633  292.305    158.549  292.305    158.549  0.0000     0.0000   40.933  13.633  ?       ?       0.000000       13.63330 
1 1 1 -13 -43 33 o 36.021  7.9024  181.890    67.169   13.461     146.671  226.588    75.558   25.379  11.406  40.241  8.0200  -14.86113      13.94362 
1 1 1 -13 -43 34 o 44.782  5.0255  258.173    53.665   293.978    98.365   242.999    64.034   44.953  9.3240  42.710  6.3741  2.243202       11.29449 
1 1 1 -13 -43 35 o 45.325  4.6131  262.224    50.026   355.912    103.585  233.725    57.131   49.909  8.8791  42.213  5.7255  7.695927       10.56504 
1 1 1 -13 -43 36 o 64.891  4.0553  529.917    63.532   686.683    117.177  464.645    75.610   71.660  6.8214  60.027  5.2439  11.63313       8.604062 
1 1 1 -13 -43 37 o 45.889  4.6318  269.235    50.867   349.904    102.701  243.013    58.554   49.337  8.9068  42.991  5.7579  6.346180       10.60591 
1 1 1 -13 -43 38 o 21.360  6.6925  61.224     38.573   195.256    92.708   33.163     42.419   35.619  10.204  17.936  6.9068  17.68234       12.32163 
1 1 1 -13 -43 39 o 27.860  6.3370  105.863    41.872   150.864    98.532   95.945     46.256   31.232  10.745  26.238  7.0951  4.993511       12.87600 
1 1 1 -13 -43 40 o 30.886  6.8504  131.891    49.994   -90.3491   134.617  167.448    53.845   20.650  9.8233  35.061  6.5708  -14.41083      11.81830 
1 1 1 -13 -43 41 o 22.426  7.3566  68.454     46.229   5.0762     122.747  78.929     49.904   23.011  10.380  23.827  7.6300  -0.8160706     12.88226 
1 1 1 -13 -43 42 o 29.912  8.2531  130.561    61.853   0.0000     0.0000   130.561    61.853   ?       ?       29.912  8.2531  0.000000       8.253126 
1 1 1 -13 -43 43 o 29.965  6.6295  124.356    46.924   0.0000     0.0000   124.356    46.924   ?       ?       29.965  6.6295  0.000000       6.629498 
1 1 1 -13 -43 44 o 39.961  5.7939  213.276    54.540   0.0000     0.0000   213.276    54.540   ?       ?       39.961  5.7939  0.000000       5.793925 
1 1 1 -13 -43 45 o 21.223  6.7738  61.669     39.357   -54.4646   109.064  79.057     42.200   19.349  9.0943  23.719  6.9105  -4.369747      11.42199 
1 1 1 -13 -43 46 o 14.382  5.9939  11.308     34.723   -49.6944   69.993   31.222     39.991   15.460  7.2725  17.248  6.6881  -1.787741      9.880317 
1 1 1 -13 -43 47 o 15.170  7.2204  -64.6147   72.938   -28.1627   101.285  -103.8810  105.122  19.520  9.0362  17.287  8.3415  2.233082       12.29769 
1 1 1 -13 -43 48 o 8.1561  4.0095  -53.3587   27.635   -76.9143   65.200   -48.2003   30.511   13.675  6.5915  9.0476  4.3965  4.627888       7.923156 
1 1 1 -13 -43 49 o 16.593  6.8639  20.717     45.049   -38.2331   97.137   36.870     50.848   18.614  8.6951  18.711  7.4544  -0.9716415E-01 11.45307 
1 1 1 -13 -43 50 o 34.492  6.6991  167.707    54.044   294.706    108.732  126.038    62.283   41.811  10.679  28.704  8.4046  13.10714       13.58997 
1 1 1 -13 -43 51 o 31.664  6.9530  143.752    51.956   160.797    104.342  138.133    59.912   30.314  10.997  30.269  8.0266  0.4522133E-01  13.61495 
1 1 1 -13 -43 52 o 16.228  6.7721  18.318     44.404   -7.2673    94.995   25.471     50.230   19.583  8.9499  17.510  7.2460  2.072866       11.51542 
1 1 1 -13 -43 53 o 30.344  9.1641  147.256    73.151   167.913    138.789  139.310    86.078   30.040  12.193  28.955  10.038  1.084915       15.79384 
1 1 1 -13 -43 54 o 20.318  8.2350  45.778     63.202   -72.9775   127.527  84.443     72.767   19.695  9.4220  24.076  9.0999  -4.380419      13.09893 
1 1 1 -13 -43 55 o 29.624  7.3662  128.681    52.724   76.873     115.471  142.327    59.262   24.861  10.669  30.813  7.8918  -5.952234      13.27087 
1 1 1 -13 -43 56 o 27.712  7.7131  114.383    53.769   162.093    115.039  101.048    60.821   30.151  11.431  25.796  8.4369  4.354944       14.20712 
1 1 1 -13 -43 57 o 25.943  7.7024  100.086    52.003   65.237     110.184  110.074    58.985   24.065  10.376  26.893  8.2514  -2.827768      13.25718 
1 1 1 -13 -43 58 o 15.183  7.1854  -51.8683   70.238   -41.8844   156.320  -54.3938   78.622   22.240  10.581  16.038  7.5935  6.202246       13.02415 
1 1 1 -13 -43 59 o 28.886  9.6276  137.782    79.062   395.982    181.353  77.193     87.850   40.822  14.536  23.760  9.6795  17.06175       17.46419 
1 1 1 -13 -43 60 o 17.677  7.9527  -0.2600    71.508   205.531    192.794  -33.0863   77.000   30.421  13.408  16.611  7.7532  13.81070       15.48830 
1 1 1 -13 -43 61 o 18.369  8.1523  12.577     72.491   -0.0138    197.768  14.531     77.914   24.112  11.587  18.919  8.4213  5.192568       14.32389 
1 1 1 -13 -42 1  o 40.660  9.9667  270.985    97.569   291.030    113.910  215.766    189.062  40.599  11.199  31.687  13.627  8.912325       17.63865 
1 1 1 -13 -42 2  o 22.289  9.1598  59.042     79.535   108.954    91.145   -100.2929  162.851  26.351  10.130  21.216  10.273  5.135099       14.42776 
1 1 1 -13 -42 3  o 22.560  9.3168  59.908     82.800   56.620     94.345   70.929     172.741  22.914  9.7338  26.412  12.070  -3.498344      15.50590 
1 1 1 -13 -42 4  o 28.862  10.350  137.624    92.087   78.948     105.575  324.263    188.292  24.805  10.403  37.326  14.502  -12.52134      17.84740 
1 1 1 -13 -42 5  o 43.327  9.8628  298.878    101.359  310.776    119.615  268.578    190.889  42.308  11.396  34.797  14.232  7.511391       18.23295 
1 1 1 -13 -42 6  o 34.122  10.210  190.738    91.108   129.632    107.578  345.745    171.339  28.454  10.987  40.482  14.155  -12.02791      17.91892 
1 1 1 -13 -42 7  o 66.130  5.3419  574.339    84.983   657.818    141.880  527.632    106.127  66.441  9.0351  61.467  7.2557  4.974339       11.58782 
1 1 1 -13 -42 8  o 30.830  7.8185  138.206    58.573   85.424     94.428   171.214    74.674   25.395  10.145  33.554  8.9903  -8.159159      13.55542 
1 1 1 -13 -42 9  o 51.759  5.6230  353.802    69.483   359.567    107.663  349.686    90.962   48.875  9.4201  49.700  7.7997  -0.8249474     12.23003 
1 1 1 -13 -42 10 o 53.997  5.3270  380.779    68.884   366.669    107.532  390.599    89.706   49.680  9.2613  53.283  7.1164  -3.603737      11.67967 
1 1 1 -13 -42 11 o 44.838  6.1476  268.808    65.123   413.969    106.982  183.352    82.084   53.752  8.4841  34.737  9.4759  19.01428       12.71899 
1 1 1 -13 -42 12 o 20.331  7.3477  51.297     46.515   109.693    74.416   13.849     59.592   27.466  9.3401  18.031  7.6995  9.435141       12.10456 
1 1 1 -13 -42 13 o 15.661  6.7016  6.4777     45.318   53.052     66.727   -33.3960   61.741   21.917  8.5998  15.380  7.0969  6.536933       11.14997 
1 1 1 -13 -42 14 o 63.135  4.8725  510.155    74.065   461.101    107.849  553.941    101.893  57.657  7.9180  64.442  6.6100  -6.785095      10.31442 
1 1 1 -13 -42 15 f 40.169  6.2953  215.215    59.342   183.880    85.199   244.740    82.701   35.055  9.6920  41.451  8.5078  -6.395378      12.89642 
1 1 1 -13 -42 16 o 12.227  5.7968  -48.2892   46.122   -86.8706   68.822   -16.8333   62.142   14.114  6.7954  16.445  7.4044  -2.330318      10.05004 
1 1 1 -13 -42 17 o 57.946  5.0883  430.341    70.817   453.720    102.333  408.857    98.100   57.815  7.4695  54.762  7.5867  3.053055       10.64667 
1 1 1 -13 -42 18 o 18.571  7.4599  28.945     51.364   -12.0846   74.642   65.849     70.790   18.322  8.1925  23.559  8.9584  -5.237715      12.13957 
1 1 1 -13 -42 19 o 26.661  7.8667  98.657     54.380   83.960     79.349   111.674    74.674   25.632  9.5402  28.133  9.3556  -2.501417      13.36202 
1 1 1 -13 -42 20 o 42.532  6.1949  238.437    62.054   259.195    92.020   221.125    84.038   42.499  9.1910  39.289  9.0077  3.210163       12.86909 
1 1 1 -13 -42 21 o 56.631  5.1849  410.570    70.455   372.089    105.322  441.737    94.785   51.550  8.7319  57.632  6.9164  -6.081295      11.13924 
1 1 1 -13 -42 22 o 17.778  7.2868  21.274     50.170   97.976     80.976   -26.5109   63.915   27.034  9.7042  16.229  7.3876  10.80498       12.19621 
1 1 1 -13 -42 23 o 23.824  7.9194  75.222     53.509   71.703     83.969   77.628     69.432   24.954  9.6872  24.713  8.9701  0.2413464      13.20242 
1 1 1 -13 -42 24 o 23.208  7.8685  70.186     52.812   78.026     84.629   65.186     67.587   25.513  9.7725  23.443  8.7891  2.070324       13.14343 
1 1 1 -13 -42 25 o 35.122  7.0888  167.108    58.329   153.115    90.802   176.939    76.108   32.322  10.286  35.231  8.9002  -2.909458      13.60196 
1 1 1 -13 -42 26 o 15.543  6.8174  -4.5474    49.306   -13.1969   79.585   0.8408     62.813   18.938  8.4644  17.785  7.7505  1.152819       11.47678 
1 1 1 -13 -42 27 o 22.275  7.7878  62.522     51.863   -2.2931    80.447   108.618    67.843   19.642  8.6590  27.921  8.8915  -8.278494      12.41117 
1 1 1 -13 -42 28 o 29.092  6.4876  113.746    44.629   179.002    85.981   89.682     52.213   35.025  9.7556  25.630  7.7427  9.394976       12.45477 
1 1 1 -13 -42 29 o 11.862  5.4607  -23.8706   36.252   -156.2716  76.686   14.233     41.139   13.155  6.5066  15.930  6.5719  -2.774800      9.247965 
1 1 1 -13 -42 30 o 39.211  9.8977  225.042    94.177   225.042    94.177   0.0000     0.0000   39.211  9.8977  ?       ?       0.000000       9.897675 
1 1 1 -13 -42 31 o 29.725  11.890  110.329    129.894  110.329    129.894  0.0000     0.0000   29.725  11.890  ?       ?       0.000000       11.89022 
1 1 1 -13 -42 32 o 30.618  9.3464  134.305    75.793   -59.2606   140.758  213.345    89.946   22.719  10.563  38.263  9.6807  -15.54458      14.32837 
1 1 1 -13 -42 33 o 16.833  7.6092  -21.7889   66.384   97.131     128.925  -64.6919   77.438   28.854  11.737  16.216  7.6346  12.63746       14.00154 
1 1 1 -13 -42 34 o 50.318  6.7602  336.212    80.449   317.994    160.672  342.308    92.938   43.343  13.671  50.012  7.9228  -6.668888      15.80068 
1 1 1 -13 -42 35 o 34.996  5.1279  158.321    42.252   294.637    94.444   124.213    47.243   45.677  8.8410  30.333  6.6059  15.34347       11.03635 
1 1 1 -13 -42 36 o 17.290  6.4147  32.458     35.816   103.451    82.685   16.060     39.738   27.510  9.8133  15.877  6.4938  11.63274       11.76734 
1 1 1 -13 -42 37 o 26.867  6.1521  96.963     39.241   122.034    91.696   91.342     43.418   29.283  10.346  25.877  6.8192  3.406315       12.39124 
1 1 1 -13 -42 38 o 51.290  4.4440  333.220    54.759   414.010    108.302  305.474    63.470   54.457  8.4717  48.565  5.4821  5.892319       10.09071 
1 1 1 -13 -42 39 o 8.5656  4.1470  -41.4832   26.514   -87.2489   93.367   -37.4690   27.652   17.158  8.1674  9.0696  4.3516  8.088290       9.254344 
1 1 1 -13 -42 40 o 39.741  4.9573  203.558    46.763   207.647    105.205  202.551    52.203   36.455  10.986  39.317  5.6330  -2.861938      12.34564 
1 1 1 -13 -42 41 o 54.908  6.8790  405.486    89.637   0.0000     0.0000   405.486    89.637   ?       ?       54.908  6.8790  0.000000       6.878950 
1 1 1 -13 -42 42 f 14.509  6.3655  -3.4408    43.006   0.0000     0.0000   -3.4408    43.006   ?       ?       14.509  6.3655  0.000000       6.365549 
1 1 1 -13 -42 43 o 25.022  7.9924  87.641     54.784   0.0000     0.0000   87.641     54.784   ?       ?       25.022  7.9924  0.000000       7.992384 
1 1 1 -13 -42 44 o 47.056  4.8283  285.259    54.347   320.045    117.505  275.793    61.297   45.001  10.881  45.792  5.6357  -0.7913246     12.25396 
1 1 1 -13 -42 45 o 52.513  4.2695  350.842    53.931   434.279    96.827   313.316    64.935   56.151  7.2780  48.819  5.5822  7.332134       9.172289 
1 1 1 -13 -42 46 o 40.667  4.8287  214.412    46.716   65.242     87.484   273.914    55.253   23.873  9.6841  45.893  5.0452  -22.01981      10.91949 
1 1 1 -13 -42 47 o 11.275  5.2233  -23.5551   33.936   -40.9283   69.803   -18.1777   38.834   15.911  7.4117  12.586  5.7404  3.325218       9.374725 
1 1 1 -13 -42 48 o 56.882  4.3658  414.148    59.796   440.535    106.321  401.939    72.318   55.337  8.1636  55.231  5.4682  0.1063042      9.825708 
1 1 1 -13 -42 49 o 18.352  6.7934  40.426     40.126   138.472    77.346   4.3216     46.936   29.767  9.4954  15.512  6.7300  14.25473       11.63855 
1 1 1 -13 -42 50 o 40.277  6.2268  221.580    58.891   226.833    113.699  219.654    68.846   35.881  11.520  39.139  7.5228  -3.257996      13.75848 
1 1 1 -13 -42 51 o 21.897  7.4467  66.810     47.303   103.567    101.382  56.581     53.481   26.443  10.529  20.936  7.8245  5.506897       13.11763 
1 1 1 -13 -42 52 o 18.902  7.2452  41.938     46.538   28.723     100.715  45.526     52.476   21.887  9.6665  19.701  7.6552  2.186277       12.33060 
1 1 1 -13 -42 53 o 20.144  8.0744  44.924     60.034   152.497    100.113  -15.4804   75.019   29.967  10.787  17.495  7.9790  12.47235       13.41697 
1 1 1 -13 -42 54 o 20.639  8.3633  46.790     65.173   155.872    129.926  10.115     75.337   29.755  11.895  18.910  8.3557  10.84496       14.53684 
1 1 1 -13 -42 55 o 39.982  8.6756  242.875    81.745   188.204    152.090  265.084    96.937   31.383  12.755  40.495  9.9395  -9.111176      16.17035 
1 1 1 -13 -42 56 o 18.138  7.1714  34.668     46.731   -36.2029   103.680  52.736     52.351   19.246  8.9879  20.420  7.7183  -1.173349      11.84717 
1 1 1 -13 -42 57 o 14.396  6.4611  -9.4739    46.883   -49.4955   106.902  0.0566     52.167   19.048  8.9684  15.795  6.9674  3.252692       11.35681 
1 1 1 -13 -42 58 o 12.302  5.7631  -33.1807   43.188   70.312     93.741   -61.0668   48.660   23.871  9.8900  11.841  5.7039  12.02998       11.41699 
1 1 1 -13 -42 59 o 31.828  9.7086  165.337    81.804   256.737    185.046  143.136    91.199   33.935  13.962  29.296  10.322  4.638214       17.36263 
1 1 1 -13 -42 60 o 25.135  9.3981  95.974     77.173   135.702    183.126  87.395     85.099   28.620  12.812  24.561  9.6879  4.059542       16.06274 
1 1 1 -13 -42 61 o 20.017  8.5582  33.868     73.792   -59.3984   197.859  48.936     79.530   23.391  11.326  21.391  9.0035  2.000137       14.46831 
1 1 1 -13 -41 1  o 13.352  6.4750  -85.5249   65.277   -49.6125   72.394   -241.6979  150.967  15.639  7.3687  17.892  8.8973  -2.252390      11.55243 
1 1 1 -13 -41 2  o 21.354  9.0265  41.177     80.488   -36.5442   93.250   268.262    159.395  18.401  8.5700  36.112  13.506  -17.71061      15.99528 
1 1 1 -13 -41 3  o 33.897  10.313  188.757    92.398   165.729    106.645  258.087    185.041  31.239  11.145  34.948  14.116  -3.708916      17.98550 
1 1 1 -13 -41 4  o 23.803  9.4403  71.893     81.213   132.637    92.044   -141.5957  172.557  28.960  10.351  21.479  10.441  7.481403       14.70275 
1 1 1 -13 -41 5  o 16.554  7.7092  -41.2852   75.446   -44.0850   85.621   -31.5611   159.566  17.558  8.1888  23.617  11.068  -6.059200      13.76797 
1 1 1 -13 -41 6  o 36.749  9.8010  209.662    89.001   221.142    110.031  187.936    151.365  36.415  11.286  32.818  12.928  3.596279       17.16142 
1 1 1 -13 -41 7  o 29.808  9.6785  135.055    80.094   90.168     99.540   217.484    134.890  26.246  10.438  35.284  12.540  -9.037094      16.31550 
1 1 1 -13 -41 8  o 24.327  9.2549  76.034     75.579   103.174    93.233   24.014     129.078  27.152  10.291  24.287  10.823  2.865337       14.93473 
1 1 1 -13 -41 9  o 19.070  8.3037  8.7367     71.967   50.494     88.544   -72.5478   123.536  23.211  9.6139  20.379  9.6091  2.831593       13.59271 
1 1 1 -13 -41 10 o 26.310  9.5660  94.884     79.012   142.477    98.428   8.6396     132.498  30.698  10.729  24.115  10.839  6.582811       15.25134 
1 1 1 -13 -41 11 o 19.957  7.3855  46.464     47.418   13.367     79.905   64.456     58.912   20.279  8.7898  22.653  8.2565  -2.373325      12.05939 
1 1 1 -13 -41 12 o 18.099  7.1589  29.709     46.587   -53.9106   70.434   94.745     62.116   15.676  7.3488  26.119  8.5255  -10.44244      11.25558 
1 1 1 -13 -41 13 o 47.028  5.4699  286.363    61.251   285.033    89.481   287.536    84.021   45.043  8.4990  45.684  7.8634  -0.6416855     11.57866 
1 1 1 -13 -41 14 o 27.104  7.9928  102.129    56.152   200.987    88.150   34.625     72.842   36.992  9.7012  21.212  8.7472  15.77987       13.06242 
1 1 1 -13 -41 15 o 20.011  7.5245  44.161     49.607   57.439     73.414   33.005     67.295   23.109  9.0337  20.615  8.4432  2.494078       12.36508 
1 1 1 -13 -41 16 f 39.749  6.3061  208.649    58.791   206.764    85.379   210.349    81.074   37.878  9.3469  38.505  8.8615  -0.6267853     12.87991 
1 1 1 -13 -41 17 o 51.658  5.3378  342.263    65.942   384.829    95.782   303.909    90.920   53.412  7.6054  46.942  8.2853  6.469509       11.24671 
1 1 1 -13 -41 18 o 26.043  7.5433  92.529     50.415   163.618    74.351   32.026     68.591   33.942  8.9135  20.743  8.5133  13.19831       12.32587 
1 1 1 -13 -41 19 o 48.977  5.5084  308.530    64.324   291.193    94.129   323.720    88.106   45.660  8.8154  48.954  7.6693  -3.294205      11.68459 
1 1 1 -13 -41 20 o 34.037  7.1284  156.565    56.985   188.574    86.856   132.374    75.508   36.126  9.7030  30.578  9.3276  5.547922       13.45931 
1 1 1 -13 -41 21 o 40.878  6.1497  218.651    59.108   260.561    91.883   189.063    77.203   43.017  9.0877  36.661  8.7923  6.356277       12.64481 
1 1 1 -13 -41 22 o 19.772  7.6067  39.363     51.415   82.739     80.330   9.2627     66.917   25.884  9.6060  18.946  8.1263  6.937679       12.58222 
1 1 1 -13 -41 23 o 75.520  4.5190  716.161    82.428   704.943    124.335  724.956    110.100  73.160  7.0933  74.956  6.1068  -1.796173      9.359925 
1 1 1 -13 -41 24 f 26.187  7.8545  93.108     53.874   85.366     85.236   98.259     69.522   26.372  9.8736  26.997  9.0285  -0.6249619     13.37912 
1 1 1 -13 -41 25 o 81.789  4.4476  838.467    87.933   892.304    129.092  791.865    120.106  82.934  6.4661  78.164  6.3886  4.770241       9.089835 
1 1 1 -13 -41 26 o 104.428 4.3420  1361.24    110.020  1321.53    160.359  1396.55    151.225  100.897 6.5863  104.307 6.0004  -3.410057      8.909798 
1 1 1 -13 -41 27 o 86.869  4.9718  952.855    104.360  932.259    137.141  981.190    160.854  84.558  6.7402  85.756  7.8162  -1.198517      10.32105 
1 1 1 -13 -41 28 o 102.439 3.9751  1303.87    98.805   1335.34    159.290  1284.20    125.965  101.514 6.5011  100.728 5.1713  0.7862549      8.307011 
1 1 1 -13 -41 29 o 80.683  6.7541  849.486    131.009  849.486    131.009  0.0000     0.0000   80.683  6.7541  ?       ?       0.000000       6.754114 
1 1 1 -13 -41 30 o 29.718  10.108  122.462    87.151   122.462    87.151   0.0000     0.0000   29.718  10.108  ?       ?       0.000000       10.10772 
1 1 1 -13 -41 31 o 78.269  4.0861  764.247    77.331   678.280    127.918  813.761    97.079   71.456  7.4891  80.221  5.0125  -8.765327      9.011814 
1 1 1 -13 -41 32 o 18.850  7.9471  15.575     62.126   -131.3667  128.835  60.096     70.916   19.696  9.4348  23.353  8.9456  -3.656849      13.00152 
1 1 1 -13 -41 33 o 41.410  7.3824  230.808    71.457   268.150    149.265  219.706    81.390   40.887  13.207  39.660  8.6971  1.227039       15.81307 
1 1 1 -13 -41 34 o 15.776  6.5960  10.525     42.238   -72.8908   118.418  22.685     45.212   20.504  9.5855  17.376  6.9922  3.127998       11.86472 
1 1 1 -13 -41 35 o 43.361  7.5498  254.088    76.547   493.632    155.077  176.922    88.017   57.412  11.533  34.901  9.9234  22.51075       15.21429 
1 1 1 -13 -41 36 o 21.233  6.3419  59.371     35.176   -85.3916   135.387  69.850     36.427   21.568  10.135  22.885  6.3412  -1.317448      11.95572 
1 1 1 -13 -41 37 o 49.108  4.5486  304.862    53.583   378.276    110.297  282.183    61.304   51.936  9.0833  46.799  5.5038  5.136528       10.62066 
1 1 1 -13 -41 38 o 29.547  6.1053  116.080    42.324   112.413    121.350  116.588    45.159   29.617  11.604  29.468  6.4913  0.1490974      13.29642 
1 1 1 -13 -41 39 o 24.239  6.6936  79.293     40.665   118.181    97.830   71.171     44.711   29.267  10.644  23.092  7.2004  6.174461       12.85056 
1 1 1 -13 -41 40 o 28.379  6.6855  109.148    45.279   0.0000     0.0000   109.148    45.279   ?       ?       28.379  6.6855  0.000000       6.685474 
1 1 1 -13 -41 41 o 42.600  5.5038  235.443    55.559   0.0000     0.0000   235.443    55.559   ?       ?       42.600  5.5038  0.000000       5.503788 
1 1 1 -13 -41 42 o 16.227  6.9478  6.1341     48.759   0.0000     0.0000   6.1341     48.759   ?       ?       16.227  6.9478  0.000000       6.947793 
1 1 1 -13 -41 43 o 31.726  7.5880  140.441    57.626   311.361    140.794  106.047    63.158   43.295  12.625  27.384  8.5610  15.91148       15.25379 
1 1 1 -13 -41 44 o 31.745  7.2386  139.615    54.519   237.043    102.692  101.377    64.335   39.220  10.557  26.782  8.6724  12.43833       13.66269 
1 1 1 -13 -41 45 o 31.859  5.6611  134.574    42.158   121.057    81.991   139.433    49.154   28.750  9.8038  32.015  6.5484  -3.264967      11.78968 
1 1 1 -13 -41 46 o 24.069  6.4480  79.369     38.415   128.070    76.538   62.970     44.415   29.374  9.4537  21.723  7.2149  7.651072       11.89230 
1 1 1 -13 -41 47 o 29.863  6.2454  121.299    43.798   189.730    80.819   92.846     52.114   35.550  9.2726  25.618  7.7346  9.932272       12.07496 
1 1 1 -13 -41 48 o 48.439  4.6989  301.910    54.532   251.587    97.301   324.954    65.845   40.333  9.9935  49.725  5.5522  -9.391472      11.43231 
1 1 1 -13 -41 49 o 28.983  6.4851  116.051    44.466   154.572    83.068   100.580    52.644   31.511  9.8127  26.463  7.7207  5.048292       12.48593 
1 1 1 -13 -41 50 o 14.983  6.3322  9.6849     39.598   4.2755     74.920   11.782     46.646   18.825  8.3246  16.142  6.8500  2.683863       10.78064 
1 1 1 -13 -41 51 o 31.546  7.0280  140.683    52.417   232.318    107.547  112.133    60.030   37.096  11.091  27.498  8.3009  9.597418       13.85346 
1 1 1 -13 -41 52 o 22.173  7.5577  68.146     48.726   -24.5544   103.818  94.334     55.181   19.900  9.1897  25.401  8.0116  -5.500586      12.19160 
1 1 1 -13 -41 53 o 14.951  6.5352  1.1785     44.964   -140.8337  98.039   39.006     50.599   15.578  7.6367  18.983  7.4759  -3.404870      10.68683 
1 1 1 -13 -41 54 o 13.698  6.2742  -20.9127   47.036   -245.6442  114.806  24.417     51.562   14.985  7.4991  17.694  7.3332  -2.708208      10.48871 
1 1 1 -13 -41 55 o 30.572  9.1913  146.296    73.708   218.857    138.131  117.411    87.153   33.921  12.595  27.415  10.035  6.506384       16.10363 
1 1 1 -13 -41 56 o 49.919  5.6928  333.221    67.720   200.090    147.130  369.007    76.281   32.524  12.767  52.171  6.1437  -19.64654      14.16863 
1 1 1 -13 -41 57 o 17.105  7.0563  22.677     47.423   -23.8685   91.514   39.765     55.449   18.814  8.6667  19.443  7.7717  -0.6291809     11.64092 
1 1 1 -13 -41 58 o 17.869  7.1142  31.748     46.286   -96.5760   87.218   82.057     54.610   15.685  7.5757  23.879  8.0018  -8.194164      11.01904 
1 1 1 -13 -41 59 o 22.893  9.0894  66.109     75.364   95.946     177.429  59.541     83.246   27.879  12.536  22.788  9.3686  5.090904       15.64996 
1 1 1 -13 -41 60 o 18.518  8.1972  6.8143     72.831   37.971     195.257  1.7790     78.496   26.354  12.316  18.764  8.3951  7.589602       14.90535 
1 1 1 -13 -41 61 o 42.298  10.055  291.968    101.677  244.223    233.847  303.099    112.909  32.423  14.499  41.969  10.966  -9.546581      18.17917 
1 1 1 -13 -41 62 o 16.584  7.7616  -38.0889   78.014   330.887    218.400  -92.0544   83.524   35.139  14.862  15.203  7.3603  19.93605       16.58463 
1 1 1 -13 -40 1  o 25.953  8.2213  98.705     58.059   90.522     85.599   105.678    79.012   25.425  9.8055  26.606  9.5820  -1.181353      13.70993 
1 1 1 -13 -40 2  o 23.557  8.0812  77.506     55.716   19.468     87.194   117.554    72.431   20.816  9.0998  27.927  9.2106  -7.110662      12.94762 
1 1 1 -13 -40 3  o 20.445  7.7402  49.717     52.700   -25.8477   82.445   101.923    68.528   18.108  8.2986  26.445  8.9631  -8.337389      12.21497 
1 1 1 -13 -40 4  o 31.706  9.7983  154.502    83.004   136.157    93.980   219.560    176.983  29.765  10.479  34.689  13.878  -4.923756      17.38970 
1 1 1 -13 -40 5  o 73.916  6.5514  730.251    116.282  687.279    138.404  833.378    214.411  69.780  8.3396  70.481  13.017  -0.7015076     15.45935 
1 1 1 -13 -40 6  o 29.768  9.6538  131.645    79.697   68.549     100.405  239.101    131.030  25.145  10.308  37.635  12.387  -12.48974      16.11480 
1 1 1 -13 -40 7  o 21.728  8.9132  41.542     75.140   43.775     93.075   37.363     127.329  23.229  9.7566  25.120  10.988  -1.890690      14.69482 
1 1 1 -13 -40 8  o 66.239  7.1399  589.809    112.941  706.263    144.082  404.216    181.891  71.138  8.5165  47.291  14.486  23.84699       16.80443 
1 1 1 -13 -40 9  o 66.232  6.6278  580.047    105.082  629.487    131.126  491.301    175.680  67.649  8.1527  54.334  13.408  13.31482       15.69173 
1 1 1 -13 -40 10 o 12.796  6.1492  -72.0240   55.713   -89.7646   64.138   -17.4894   112.452  13.401  6.4783  21.887  9.8978  -8.486215      11.82940 
1 1 1 -13 -40 11 o 32.209  9.0998  148.726    74.259   161.549    88.918   119.164    135.003  33.146  10.124  30.399  12.135  2.747755       15.80393 
1 1 1 -13 -40 12 o 21.404  8.3899  45.772     63.455   37.629     74.834   66.606     119.706  21.728  8.9020  26.779  11.142  -5.051035      14.26172 
1 1 1 -13 -40 13 o 32.857  9.4390  154.843    79.230   151.292    91.613   165.383    157.812  32.289  10.338  33.909  13.248  -1.620216      16.80395 
1 1 1 -13 -40 14 o 40.715  9.2004  234.877    88.752   197.051    102.794  345.651    175.910  36.404  10.834  45.295  14.306  -8.890789      17.94560 
1 1 1 -13 -40 15 o 21.792  7.6389  58.535     49.913   -1.5360    72.473   112.736    68.842   18.903  8.2791  28.540  8.9404  -9.636600      12.18501 
1 1 1 -13 -40 16 f 42.804  5.8542  237.397    59.207   159.537    85.100   310.442    82.427   33.354  9.8408  48.285  7.2602  -14.93071      12.22911 
1 1 1 -13 -40 17 f 39.200  6.3462  201.664    58.299   182.820    83.356   219.707    81.567   35.841  9.4502  39.752  8.6983  -3.911072      12.84397 
1 1 1 -13 -40 18 o 27.618  7.6657  103.814    53.186   110.625    78.649   98.075     72.198   28.529  9.6026  27.123  9.1999  1.405704       13.29844 
1 1 1 -13 -40 19 o 22.040  7.5955  60.430     49.248   109.948    73.448   19.983     66.381   28.391  9.2707  19.730  8.2607  8.660402       12.41716 
1 1 1 -13 -40 20 o 35.693  6.6355  168.647    55.353   101.058    85.733   216.962    72.485   27.880  9.9875  40.063  7.7367  -12.18340      12.63356 
1 1 1 -13 -40 21 o 27.308  7.5414  101.017    51.617   55.138     81.953   131.185    66.455   23.875  9.4787  30.781  8.5778  -6.905180      12.78371 
1 1 1 -13 -40 22 o 83.319  4.3690  867.122    88.018   912.074    131.522  830.659    118.454  84.021  6.5019  80.449  6.1141  3.572746       8.925034 
1 1 1 -13 -40 23 o 35.423  6.6801  166.144    55.311   170.296    83.698   162.926    73.696   34.657  9.6153  34.191  8.8238  0.4667053      13.05041 
1 1 1 -13 -40 24 o 77.592  4.4358  752.789    83.166   753.952    123.506  751.824    112.493  76.195  6.7502  76.540  6.1081  -0.3443832     9.103518 
1 1 1 -13 -40 25 o 19.614  7.5724  37.219     51.092   139.424    80.317   -32.2490   66.217   31.540  9.6199  16.407  7.4880  15.13294       12.19066 
1 1 1 -13 -40 26 o 69.109  4.5462  598.464    75.808   600.120    113.833  597.144    101.619  67.750  7.0268  68.108  6.2177  -0.3577881     9.382776 
1 1 1 -13 -40 27 o 75.212  4.9911  712.868    90.567   712.432    121.015  713.422    136.551  74.021  6.8144  73.336  7.7933  0.6847763      10.35231 
1 1 1 -13 -40 28 o 32.892  10.195  153.546    89.792   153.546    89.792   0.0000     0.0000   32.892  10.195  ?       ?       0.000000       10.19544 
1 1 1 -13 -40 29 o 73.312  6.8708  699.766    120.796  699.766    120.796  0.0000     0.0000   73.312  6.8708  ?       ?       0.000000       6.870837 
1 1 1 -13 -40 30 o 34.994  6.4977  161.503    53.140   73.127     130.493  179.072    58.183   28.247  11.683  36.776  6.7697  -8.529137      13.50286 
1 1 1 -13 -40 31 o 83.095  4.2400  860.900    85.204   1026.81    200.407  824.292    94.136   86.079  9.7681  80.992  4.8118  5.087257       10.88893 
1 1 1 -13 -40 32 o 29.338  5.7612  112.629    39.548   191.925    89.315   93.291     44.107   36.669  9.8354  26.385  6.8346  10.28359       11.97691 
1 1 1 -13 -40 33 o 29.101  7.3289  114.608    51.721   101.611    83.292   122.766    65.984   27.865  9.8589  29.817  8.6279  -1.952213      13.10109 
1 1 1 -13 -40 34 o 20.923  7.5514  51.020     49.106   13.286     121.106  58.444     53.721   24.459  10.708  22.096  7.9070  2.363243       13.31062 
1 1 1 -13 -40 35 o 24.428  8.2880  76.973     58.594   269.545    138.521  35.007     64.665   41.715  12.613  20.746  8.3572  20.96911       15.13083 
1 1 1 -13 -40 36 o 37.257  7.6358  188.094    66.709   249.227    146.773  172.178    74.891   39.881  13.109  35.083  8.8100  4.797863       15.79464 
1 1 1 -13 -40 37 o 22.237  8.0856  58.418     56.450   108.776    127.584  46.160     62.947   30.012  11.855  21.531  8.3792  8.480556       14.51695 
1 1 1 -13 -40 38 o 23.035  6.7553  70.469     40.209   48.716     129.683  72.782     42.293   26.680  11.375  23.392  6.9464  3.287533       13.32791 
1 1 1 -13 -40 39 o 46.066  5.2819  271.592    57.971   0.0000     0.0000   271.592    57.971   ?       ?       46.066  5.2819  0.000000       5.281857 
1 1 1 -13 -40 40 o 20.766  6.8843  54.844     40.446   0.0000     0.0000   54.844     40.446   ?       ?       20.766  6.8843  0.000000       6.884338 
1 1 1 -13 -40 41 o 14.373  6.0651  6.0684     36.240   0.0000     0.0000   6.0684     36.240   ?       ?       14.373  6.0651  0.000000       6.065132 
1 1 1 -13 -40 42 o 27.328  6.3329  100.165    41.172   162.428    94.374   85.530     45.755   33.192  10.478  25.102  7.1609  8.089973       12.69135 
1 1 1 -13 -40 43 o 13.645  5.9955  -5.4707    38.279   -76.4951   81.890   14.387     43.301   16.306  7.7290  16.238  6.7243  0.6834412E-01  10.24467 
1 1 1 -13 -40 44 o 59.565  5.5363  457.663    79.100   475.252    139.231  449.280    96.119   56.690  10.509  58.041  6.9642  -1.350655      12.60702 
1 1 1 -13 -40 45 o 62.367  5.4646  501.746    81.860   453.301    146.665  523.667    98.656   54.129  11.521  62.923  6.5582  -8.793549      13.25643 
1 1 1 -13 -40 46 o 17.173  6.5750  29.852     38.299   27.026     72.081   30.963     45.208   20.450  8.5875  18.055  7.0804  2.395061       11.12998 
1 1 1 -13 -40 47 o 15.853  6.3482  20.077     37.068   -13.2291   67.324   34.566     44.405   17.270  7.7471  18.324  7.0636  -1.053869      10.48392 
1 1 1 -13 -40 48 o 71.170  4.1757  639.580    71.794   569.816    122.542  676.041    88.590   63.879  8.0873  72.517  5.0667  -8.638069      9.543347 
1 1 1 -13 -40 49 o 24.366  7.0332  82.463     43.895   225.703    80.788   22.463     52.286   39.359  8.6916  17.891  7.3973  21.46758       11.41333 
1 1 1 -13 -40 50 o 31.321  6.2764  133.573    46.037   124.460    86.449   137.181    54.391   28.732  10.054  31.193  7.3134  -2.460579      12.43271 
1 1 1 -13 -40 51 o 13.826  6.0172  -0.1766    37.750   45.862     71.581   -17.9155   44.432   21.432  8.7349  13.585  6.1745  7.847228       10.69682 
1 1 1 -13 -40 52 o 28.996  7.2069  119.485    50.484   82.445     98.945   132.522    58.699   25.416  10.303  30.158  7.9200  -4.741295      12.99525 
1 1 1 -13 -40 53 o 25.924  7.3926  96.403     48.774   119.183    92.844   87.720     57.321   27.885  10.331  24.689  8.1962  3.195736       13.18768 
1 1 1 -13 -40 54 o 43.076  5.6749  247.645    57.870   180.105    104.987  277.123    69.359   32.639  11.094  44.957  6.5508  -12.31831      12.88366 
1 1 1 -13 -40 55 o 15.795  7.0641  -7.8306    55.529   186.424    98.125   -99.3459   67.351   33.454  10.698  13.238  6.4547  20.21688       12.49408 
1 1 1 -13 -40 56 o 40.964  8.5270  249.038    81.998   135.286    134.064  317.025    103.644  29.159  11.927  45.121  9.7512  -15.96270      15.40581 
1 1 1 -13 -40 57 o 23.066  7.6598  74.968     50.063   76.152     93.591   74.494     59.252   24.581  9.9997  23.184  8.3032  1.397449       12.99762 
1 1 1 -13 -40 58 o 29.510  8.1782  129.068    60.585   609.543    202.668  81.919     63.488   55.201  14.820  24.086  8.5982  31.11452       17.13344 
1 1 1 -13 -40 59 o 20.928  7.7071  56.324     51.523   34.564     100.025  64.182     60.111   22.423  9.7758  22.162  8.2928  0.2611217      12.81936 
1 1 1 -13 -40 60 f 24.784  11.862  -52.0662   202.631  -52.0662   202.631  0.0000     0.0000   24.784  11.862  ?       ?       0.000000       11.86155 
1 1 1 -13 -40 61 o 22.849  9.3720  60.702     83.069   -113.1610  223.491  88.572     89.479   24.193  11.788  25.124  9.9264  -0.9309406     15.41073 
1 1 1 -13 -40 62 o 13.684  6.6678  -99.0485   71.521   -135.5521  188.773  -92.9304   77.282   21.977  10.736  14.579  7.0638  7.397592       12.85118 
1 1 1 -13 -39 1  o 34.145  6.3467  158.414    50.647   190.935    68.696   119.687    74.965   36.518  7.9761  28.356  9.3712  8.161917       12.30595 
1 1 1 -13 -39 2  o 23.151  7.9807  72.254     54.371   4.9678     82.710   123.457    72.152   19.871  8.7689  28.916  9.1654  -9.045029      12.68459 
1 1 1 -13 -39 3  o 53.219  5.5190  368.958    70.231   344.649    106.785  387.487    93.232   48.449  9.4229  53.145  7.4334  -4.696503      12.00198 
1 1 1 -13 -39 4  o 62.848  5.1000  507.212    77.102   554.651    116.549  470.296    102.815  63.594  7.7108  58.804  7.3676  4.790085       10.66481 
1 1 1 -13 -39 5  f 26.178  7.9700  95.437     55.167   128.158    89.591   75.454     70.014   29.678  10.244  24.346  8.9814  5.332052       13.62343 
1 1 1 -13 -39 6  o 15.400  6.7139  -1.5182    47.176   -87.9268   79.187   46.023     58.737   15.499  7.4173  20.915  8.1068  -5.415435      10.98798 
1 1 1 -13 -39 7  o 33.091  7.4618  150.544    58.482   90.387     97.613   184.228    73.043   27.048  10.460  36.144  8.4756  -9.096056      13.46277 
1 1 1 -13 -39 8  o 24.932  7.4981  84.285     49.047   98.335     72.159   72.219     66.868   26.918  9.1972  24.117  8.7954  2.801100       12.72583 
1 1 1 -13 -39 9  o 64.037  5.9068  529.188    90.745   582.443    107.060  393.299    171.018  66.640  6.7125  48.773  13.820  17.86655       15.36403 
1 1 1 -13 -39 10 o 32.022  9.0147  144.845    73.011   111.166    87.773   220.482    131.537  28.668  10.123  37.747  12.410  -9.079561      16.01543 
1 1 1 -13 -39 11 o 43.053  7.9391  251.984    79.880   211.845    96.500   339.353    142.372  38.163  10.218  46.864  12.348  -8.701279      16.02711 
1 1 1 -13 -39 12 o 31.764  9.0269  141.529    72.851   158.130    83.823   90.274     147.288  33.302  9.7500  29.865  12.387  3.437046       15.76406 
1 1 1 -13 -39 13 o 31.742  9.2253  141.351    75.290   149.063    85.075   113.492    161.698  32.416  9.9036  31.747  13.055  0.6689301      16.38654 
1 1 1 -13 -39 14 o 40.861  8.6883  230.611    83.488   227.083    95.723   241.826    170.672  39.863  9.9327  39.288  14.090  0.5750275      17.23901 
1 1 1 -13 -39 15 o 61.845  7.0969  501.413    104.567  446.213    124.569  633.106    192.409  56.802  9.3646  64.800  12.691  -7.998119      15.77227 
1 1 1 -13 -39 16 o 46.578  8.0911  292.737    88.125   306.381    103.308  256.279    168.869  46.886  9.4079  40.394  14.057  6.492527       16.91455 
1 1 1 -13 -39 17 o 20.674  8.5586  26.169     70.117   21.169     78.108   46.926     159.137  21.145  8.9125  28.721  12.427  -7.575886      15.29227 
1 1 1 -13 -39 18 o 32.743  6.9014  142.781    53.101   128.460    79.247   154.451    71.536   30.497  9.5987  33.404  8.7291  -2.907635      12.97428 
1 1 1 -13 -39 19 o 35.151  6.8358  163.705    56.203   227.156    85.619   115.661    74.502   40.527  8.9462  29.151  9.3214  11.37597       12.91986 
1 1 1 -13 -39 20 o 41.916  5.7933  226.114    57.345   133.009    88.863   292.556    75.068   31.054  10.200  47.335  6.7249  -16.28109      12.21743 
1 1 1 -13 -39 21 o 53.867  5.0113  366.349    64.748   342.414    98.915   384.294    85.647   50.370  8.3883  54.416  6.6232  -4.045792      10.68785 
1 1 1 -13 -39 22 o 27.331  7.7341  100.589    53.597   77.197     82.768   117.482    70.335   25.855  9.7199  29.344  9.0115  -3.489195      13.25457 
1 1 1 -13 -39 23 o 42.949  5.8757  237.412    59.626   251.647    91.918   227.070    78.345   42.649  9.1561  40.956  8.1702  1.693130       12.27140 
1 1 1 -13 -39 24 o 33.885  6.8335  152.127    54.245   165.591    82.618   141.925    71.919   34.380  9.5582  32.056  8.9199  2.324005       13.07380 
1 1 1 -13 -39 25 o 24.597  7.8661  78.974     53.054   118.924    83.706   52.148     68.591   29.684  9.9069  22.714  8.7726  6.970053       13.23270 
1 1 1 -13 -39 26 o 56.818  7.5526  425.736    101.544  425.736    101.544  0.0000     0.0000   56.818  7.5526  ?       ?       0.000000       7.552630 
1 1 1 -13 -39 27 o 16.901  7.7534  -39.8297   72.222   -39.8297   72.222   0.0000     0.0000   16.901  7.7534  ?       ?       0.000000       7.753398 
1 1 1 -13 -39 28 o 28.509  9.8258  106.861    82.417   106.861    82.417   0.0000     0.0000   28.509  9.8258  ?       ?       0.000000       9.825838 
1 1 1 -13 -39 29 o 44.757  4.9137  253.249    52.485   226.046    93.189   265.887    63.517   40.113  9.6844  45.486  5.8937  -5.372940      11.33682 
1 1 1 -13 -39 30 o 27.313  5.7813  97.618     37.120   188.093    85.170   76.402     41.243   36.628  9.5020  24.032  6.7789  12.59575       11.67229 
1 1 1 -13 -39 31 o 52.092  4.1004  338.305    51.408   363.257    100.812  329.536    59.763   51.996  8.2673  51.126  4.8766  0.8698959      9.598403 
1 1 1 -13 -39 32 o 44.349  4.4688  247.075    47.433   372.463    97.265   207.951    54.331   52.919  7.8097  40.201  5.7323  12.71803       9.687620 
1 1 1 -13 -39 33 o 31.141  5.4200  125.285    39.467   242.798    90.704   97.841     43.834   41.825  9.1887  27.101  6.7031  14.72402       11.37380 
1 1 1 -13 -39 34 o 36.285  5.0453  167.892    43.218   304.483    91.060   128.179    49.101   47.532  8.1912  31.065  6.7103  16.46761       10.58888 
1 1 1 -13 -39 35 o 15.005  6.5903  -6.9618    46.207   64.973     126.877  -17.9618   49.615   27.713  11.496  14.776  6.6380  12.93754       13.27488 
1 1 1 -13 -39 36 o 41.354  7.0923  226.414    68.603   233.585    139.485  224.126    78.792   39.238  12.774  40.559  8.2862  -1.320549      15.22617 
1 1 1 -13 -39 37 o 54.025  6.4324  378.330    82.662   401.280    162.036  370.257    96.109   50.989  13.044  52.710  7.7456  -1.721428      15.17054 
1 1 1 -13 -39 38 o 25.237  6.4974  84.775     40.025   0.0000     0.0000   84.775     40.025   ?       ?       25.237  6.4974  0.000000       6.497448 
1 1 1 -13 -39 39 o 28.706  6.6443  109.995    45.364   0.0000     0.0000   109.995    45.364   ?       ?       28.706  6.6443  0.000000       6.644337 
1 1 1 -13 -39 40 o 32.353  6.3612  138.341    48.157   0.0000     0.0000   138.341    48.157   ?       ?       32.353  6.3612  0.000000       6.361228 
1 1 1 -13 -39 41 o 39.374  5.0640  198.018    47.259   279.181    93.708   170.335    54.729   44.818  8.9307  35.893  6.5243  8.924511       11.06001 
1 1 1 -13 -39 42 o 35.065  5.1064  157.902    42.170   172.969    77.882   151.652    50.160   34.972  9.0931  33.872  6.3360  1.100269       11.08287 
1 1 1 -13 -39 43 o 60.368  4.0667  455.544    59.221   510.337    101.935  427.628    72.759   62.297  6.8572  57.926  5.2332  4.370792       8.625919 
1 1 1 -13 -39 44 o 11.526  5.3757  -31.0878   36.899   9.4217     82.687   -41.1608   41.232   20.616  8.9385  11.778  5.5529  8.837722       10.52294 
1 1 1 -13 -39 45 o 42.028  6.6631  234.808    65.681   280.405    117.210  213.935    79.302   42.933  11.151  38.994  8.6116  3.939732       14.08944 
1 1 1 -13 -39 46 o 23.709  7.9601  74.417     54.044   167.391    99.858   35.903     64.271   33.377  10.804  20.539  8.3113  12.83835       13.63112 
1 1 1 -13 -39 47 o 10.324  4.9410  -44.9200   35.162   -160.1639  66.396   -0.0004    41.452   11.624  5.7995  14.615  6.3328  -2.991285      8.587078 
1 1 1 -13 -39 48 o 58.736  4.3096  435.860    60.990   488.140    106.446  410.309    74.417   59.910  7.4859  56.273  5.5212  3.637211       9.301787 
1 1 1 -13 -39 49 o 52.260  4.4807  347.210    56.267   404.886    96.041   317.068    69.430   54.398  7.4738  49.086  5.9510  5.311604       9.553689 
1 1 1 -13 -39 50 o 14.623  6.2372  5.4207     39.028   50.657     68.057   -16.7454   47.640   21.815  8.6450  14.271  6.4490  7.543956       10.78541 
1 1 1 -13 -39 51 o 37.438  5.4994  184.617    48.468   201.049    85.747   176.902    58.754   36.430  9.5749  35.792  7.0162  0.6380577      11.87041 
1 1 1 -13 -39 52 o 38.699  5.9160  199.972    53.786   173.610    100.484  210.558    63.676   32.867  10.849  39.072  6.9724  -6.204773      12.89629 
1 1 1 -13 -39 53 o 25.684  7.4980  93.915     49.637   124.759    90.007   80.435     59.504   28.606  10.235  24.033  8.3452  4.572855       13.20597 
1 1 1 -13 -39 54 o 44.067  5.6902  257.974    59.422   186.488    109.590  287.743    70.721   33.323  11.335  45.979  6.5218  -12.65628      13.07687 
1 1 1 -13 -39 55 o 18.282  8.0563  4.4182     69.570   0.0000     0.0000   4.4182     69.570   ?       ?       18.282  8.0563  0.000000       8.056262 
1 1 1 -13 -39 56 o 28.005  9.9078  120.100    84.118   0.0000     0.0000   120.100    84.118   ?       ?       28.005  9.9078  0.000000       9.907800 
1 1 1 -13 -39 57 o 42.585  8.0064  261.305    79.692   396.300    135.427  189.801    98.563   48.586  11.640  33.962  10.707  14.62467       15.81562 
1 1 1 -13 -39 58 o 28.231  7.4106  114.257    51.407   68.847     99.174   130.940    60.113   24.519  10.167  29.862  8.0939  -5.342926      12.99523 
1 1 1 -13 -39 59 o 20.487  7.4875  53.130     48.497   64.410     91.932   48.780     57.087   23.893  9.8367  20.575  7.9873  3.317732       12.67117 
1 1 1 -13 -39 60 o 35.929  15.339  290.331    236.438  290.331    236.438  0.0000     0.0000   35.929  15.339  ?       ?       0.000000       15.33919 
1 1 1 -13 -39 61 o 25.891  10.140  94.581     92.632   142.289    225.648  84.912     101.587  30.660  13.927  25.494  10.400  5.165848       17.38172 
1 1 1 -13 -39 62 o 32.611  10.360  175.884    92.152   -119.8923  235.949  229.121    100.103  24.647  12.032  37.079  10.597  -12.43184      16.03299 
1 1 1 -13 -39 63 o 53.572  8.8545  434.414    111.077  537.894    266.589  412.676    122.189  42.200  16.980  50.401  10.338  -8.201069      19.87928 
1 1 1 -13 -38 1  o 15.886  6.3151  21.068     36.421   25.930     47.058   13.806     57.514   17.719  7.1322  17.890  7.5998  -0.1715641     10.42234 
1 1 1 -13 -38 2  o 14.753  6.2010  8.4585     37.641   4.8101     49.256   13.580     58.359   16.165  6.9538  18.027  7.6567  -1.862270      10.34312 
1 1 1 -13 -38 3  o 30.870  6.7866  129.473    49.448   176.210    71.992   87.731     68.037   35.212  8.5187  25.562  8.9209  9.649544       12.33495 
1 1 1 -13 -38 4  o 21.800  7.4195  60.889     46.958   85.001     70.151   41.314     63.208   25.451  9.0432  20.930  8.3196  4.520805       12.28806 
1 1 1 -13 -38 5  o 18.601  7.0742  35.642     44.148   18.368     62.991   52.319     61.893   19.092  8.0230  21.889  8.3637  -2.797274      11.58967 
1 1 1 -13 -38 6  o 41.238  5.7358  220.513    55.838   228.938    83.769   213.777    74.906   40.417  8.7921  39.408  8.1043  1.009197       11.95739 
1 1 1 -13 -38 7  o 37.148  6.0348  180.423    52.528   212.587    77.695   153.343    71.290   39.197  8.4203  33.065  8.7497  6.132294       12.14326 
1 1 1 -13 -38 8  o 22.442  7.2708  65.195     45.216   122.703    68.666   21.171     60.080   29.732  8.8562  19.099  7.9158  10.63343       11.87816 
1 1 1 -13 -38 9  o 29.001  6.8800  112.845    47.683   88.841     73.191   130.547    62.852   26.284  9.2480  30.788  8.2475  -4.504379      12.39138 
1 1 1 -13 -38 10 o 36.075  6.1080  169.869    51.557   101.057    77.805   223.738    68.841   27.681  9.5466  41.027  7.1768  -13.34609      11.94334 
1 1 1 -13 -38 11 o 44.842  5.3783  256.629    57.351   305.766    86.454   218.014    76.641   47.859  7.7066  40.041  8.1653  7.817806       11.22782 
1 1 1 -13 -38 12 o 95.361  4.2887  1130.12    99.235   1265.21    143.938  1007.75    136.997  99.633  5.9817  88.561  6.4189  11.07262       8.774009 
1 1 1 -13 -38 13 o 75.254  6.5313  729.633    118.077  719.435    144.739  749.925    204.166  73.476  8.2618  71.527  12.202  1.948921       14.73554 
1 1 1 -13 -38 14 o 50.474  7.7819  338.822    92.241   314.681    110.418  394.582    167.812  47.364  9.9254  50.496  13.454  -3.131756      16.71884 
1 1 1 -13 -38 15 o 44.529  8.2198  267.341    85.538   280.325    99.120   229.464    169.299  44.979  9.3856  39.059  14.030  5.920193       16.88022 
1 1 1 -13 -38 16 o 22.921  8.7408  55.123     67.515   85.729     75.196   -72.1474   153.339  26.266  9.3595  23.992  11.110  2.273945       14.52723 
1 1 1 -13 -38 17 o 24.997  9.3254  71.349     75.899   89.375     88.072   19.321     149.624  27.247  10.069  27.167  11.897  0.8011055E-01  15.58590 
1 1 1 -13 -38 18 o 33.196  9.7454  153.380    83.644   177.926    98.670   90.693     157.682  35.423  10.631  31.007  12.835  4.416019       16.66618 
1 1 1 -13 -38 19 o 49.586  7.7555  325.721    90.253   339.120    116.985  306.020    141.854  49.246  10.128  45.264  12.502  3.982010       16.09015 
1 1 1 -13 -38 20 o 37.744  6.2412  184.918    55.161   237.851    85.573   147.288    72.151   41.791  8.7210  32.759  8.8625  9.032131       12.43378 
1 1 1 -13 -38 21 o 45.409  5.4593  262.233    58.946   184.967    88.528   323.773    79.007   36.374  9.8069  49.990  6.6807  -13.61546      11.86622 
1 1 1 -13 -38 22 o 37.708  6.4552  185.211    56.938   135.553    86.747   222.798    75.471   31.492  10.057  40.815  7.9062  -9.323721      12.79268 
1 1 1 -13 -38 23 o 45.711  5.8531  267.305    63.428   193.137    112.578  301.797    76.773   36.766  11.419  48.226  6.7456  -11.45930      13.26277 
1 1 1 -13 -38 24 o 108.642 4.2764  1462.27    112.729  1545.68    164.290  1388.06    154.965  110.324 6.1619  104.552 6.1354  5.771942       8.695525 
1 1 1 -13 -38 25 o 32.803  9.8345  148.619    84.472   148.619    84.472   0.0000     0.0000   32.803  9.8345  ?       ?       0.000000       9.834489 
1 1 1 -13 -38 26 o 25.515  9.6394  72.027     81.628   72.027     81.628   0.0000     0.0000   25.515  9.6394  ?       ?       0.000000       9.639395 
1 1 1 -13 -38 27 o 105.044 6.2973  1404.28    159.764  1404.28    159.764  0.0000     0.0000   105.044 6.2973  ?       ?       0.000000       6.297266 
1 1 1 -13 -38 28 o 38.679  5.3649  190.718    48.994   184.089    87.716   193.723    59.066   36.342  9.7466  38.556  6.5480  -2.213459      11.74191 
1 1 1 -13 -38 29 o 32.657  4.7564  135.324    36.582   -4.1826    85.365   166.707    40.488   20.509  8.9836  36.325  4.7041  -15.81682      10.14069 
1 1 1 -13 -38 30 o 45.597  4.2310  259.582    46.276   299.742    94.404   246.880    53.093   47.155  8.5664  44.196  5.0411  2.958492       9.939651 
1 1 1 -13 -38 31 o 36.973  4.6080  172.414    40.442   140.654    89.270   180.615    45.364   31.987  10.201  37.703  5.0888  -5.716429      11.39971 
1 1 1 -13 -38 32 o 44.317  4.3852  245.935    46.535   292.647    93.591   230.593    53.636   46.530  8.6066  42.593  5.3047  3.936993       10.11011 
1 1 1 -13 -38 33 o 14.187  5.6335  14.557     28.954   -63.6209   74.157   28.618     31.450   16.095  7.5437  16.466  6.0278  -0.3703117     9.656194 
1 1 1 -13 -38 34 o 27.526  5.8393  99.022     37.791   133.112    89.238   91.572     41.717   31.215  10.220  26.295  6.5600  4.919722       12.14422 
1 1 1 -13 -38 35 f 17.712  6.3528  34.968     34.696   81.040     83.262   25.286     38.168   26.289  9.7751  16.882  6.5374  9.406332       11.75964 
1 1 1 -13 -38 36 o 43.519  6.8563  247.962    70.003   276.819    139.840  238.312    80.864   42.893  12.603  42.005  8.2283  0.8876762      15.05152 
1 1 1 -13 -38 37 o 37.864  8.4207  195.566    75.363   0.0000     0.0000   195.566    75.363   ?       ?       37.864  8.4207  0.000000       8.420677 
1 1 1 -13 -38 38 o 63.407  7.3701  526.919    111.275  0.0000     0.0000   526.919    111.275  ?       ?       63.407  7.3701  0.000000       7.370102 
1 1 1 -13 -38 39 o 88.402  4.2530  970.357    91.227   1207.75    206.321  912.667    101.709  94.522  9.1087  85.267  4.9371  9.254395       10.36069 
1 1 1 -13 -38 40 o 44.591  4.4389  249.747    47.389   257.707    87.733   246.467    56.310   43.409  8.6334  43.945  5.3941  -0.5364037     10.17999 
1 1 1 -13 -38 41 o 32.465  5.4362  136.117    41.309   64.945     76.490   165.422    49.083   24.353  9.2996  35.700  5.8704  -11.34663      10.99746 
1 1 1 -13 -38 42 o 35.757  5.0346  163.351    42.472   119.823    78.380   181.444    50.534   29.542  9.5729  37.452  5.7443  -7.909616      11.16411 
1 1 1 -13 -38 43 o 9.6096  4.6106  -42.6289   31.040   -65.5557   61.660   -34.8464   35.924   14.107  6.6924  11.127  5.2264  2.980018       8.491381 
1 1 1 -13 -38 44 o 23.481  7.7182  71.705     50.877   249.941    95.975   2.0410     60.002   41.914  9.6383  17.628  7.6287  24.28578       12.29200 
1 1 1 -13 -38 45 o 42.119  6.7519  234.830    66.671   196.966    118.191  252.502    80.745   36.134  11.758  43.006  8.0333  -6.871605      14.24053 
1 1 1 -13 -38 46 o 12.733  5.9686  -41.2594   46.439   -207.2769  86.530   25.901     55.036   13.241  6.6087  18.835  7.6659  -5.594254      10.12128 
1 1 1 -13 -38 47 o 24.527  6.7133  81.211     41.117   116.593    72.207   64.233     50.019   28.793  9.1735  22.386  7.6573  6.406214       11.94934 
1 1 1 -13 -38 48 o 26.091  6.7440  92.514     43.005   81.808     73.476   98.093     53.039   25.240  9.2175  26.642  7.7430  -1.401968      12.03811 
1 1 1 -13 -38 49 o 18.073  6.7344  35.822     39.560   -4.1495    70.117   54.487     47.915   18.253  8.0633  20.995  7.4723  -2.742424      10.99328 
1 1 1 -13 -38 50 o 19.043  6.8657  43.167     40.576   -11.7471   68.809   72.443     50.241   17.589  7.8653  23.232  7.6715  -5.642538      10.98704 
1 1 1 -13 -38 51 o 24.519  6.6041  82.292     40.169   48.738     76.746   94.952     47.143   22.357  9.0699  26.144  7.2018  -3.786976      11.58141 
1 1 1 -13 -38 52 o 61.042  4.2516  471.835    62.578   472.813    110.346  471.371    75.977   58.157  8.0342  60.367  5.2390  -2.209892      9.591442 
1 1 1 -13 -38 53 o 25.800  7.5240  93.951     50.005   20.231     93.223   123.731    59.250   21.595  9.4256  29.287  8.0764  -7.691633      12.41253 
1 1 1 -13 -38 54 o 31.737  7.7548  144.276    59.209   13.095     165.795  163.452    63.389   25.653  11.761  33.748  7.8835  -8.095030      14.15862 
1 1 1 -13 -38 55 o 45.910  5.4620  277.239    59.650   426.591    111.301  217.054    70.654   54.101  8.7797  39.092  7.7228  15.00915       11.69293 
1 1 1 -13 -38 56 o 17.768  7.6104  13.601     58.545   61.770     102.089  -10.0037   71.464   24.354  10.223  17.705  7.9592  6.648813       12.95611 
1 1 1 -13 -38 57 o 22.828  8.5589  67.482     64.093   71.084     111.221  65.692     78.424   25.324  10.653  23.375  9.2748  1.949055       14.12439 
1 1 1 -13 -38 58 o 23.844  7.8053  79.853     52.051   91.414     101.005  75.673     60.737   26.206  10.484  23.537  8.4091  2.669418       13.43993 
1 1 1 -13 -38 59 o 61.782  5.1591  495.958    76.631   269.255    139.162  594.617    91.804   38.613  12.768  67.217  5.6820  -28.60443      13.97560 
1 1 1 -13 -38 60 o 39.513  6.5307  213.020    60.426   141.459    114.677  240.525    71.097   29.940  11.398  41.466  7.3347  -11.52575      13.55391 
1 1 1 -13 -38 61 o 21.598  9.1409  37.679     82.706   -141.9361  221.278  66.846     89.168   24.223  11.787  23.961  9.7554  0.2621040      15.30012 
1 1 1 -13 -38 62 o 21.811  9.2143  41.377     83.797   -298.7726  228.687  94.131     90.061   21.924  10.910  25.856  10.034  -3.931705      14.82247 
1 1 1 -13 -38 63 o 45.325  9.7511  321.670    104.059  223.081    257.572  340.900    113.755  32.716  14.868  45.900  10.448  -13.18402      18.17245 
1 1 1 -13 -37 1  o 13.819  5.9376  1.4587     35.835   -35.8274   46.327   56.999     56.541   12.978  6.0432  21.891  8.0719  -8.912460      10.08341 
1 1 1 -13 -37 2  o 32.376  6.3565  139.667    48.153   171.678    68.082   107.626    68.114   35.110  8.1488  27.834  8.9141  7.275412       12.07744 
1 1 1 -13 -37 3  o 66.140  4.5315  550.374    72.285   616.347    109.489  499.401    96.240   68.639  6.6578  61.831  6.5128  6.807827       9.313595 
1 1 1 -13 -37 4  o 15.971  6.5389  15.142     40.342   -31.3086   61.521   50.184     53.435   15.733  7.1949  21.118  7.8351  -5.384892      10.63747 
1 1 1 -13 -37 5  o 43.402  5.2848  240.811    54.506   197.976    85.317   270.349    70.849   37.386  9.4116  45.399  6.6269  -8.013298      11.51064 
1 1 1 -13 -37 6  o 59.793  5.3448  454.151    76.727   477.185    93.411   406.379    134.522  60.702  6.4404  53.078  10.812  7.624050       12.58503 
1 1 1 -13 -37 7  o 44.208  5.9134  251.968    61.841   167.283    74.397   441.289    111.238  34.717  8.8155  57.326  8.2336  -22.60820      12.06253 
1 1 1 -13 -37 8  o 45.023  4.7427  255.687    51.032   287.031    76.222   230.223    68.701   46.787  6.9232  41.769  7.0283  5.018105       9.865499 
1 1 1 -13 -37 9  o 41.037  5.1088  214.001    49.769   276.758    71.748   155.801    69.094   46.110  6.6012  33.705  8.4613  12.40509       10.73172 
1 1 1 -13 -37 10 o 15.552  6.6092  4.6287     43.531   28.252     63.763   -15.9926   59.574   20.232  8.2447  16.475  7.3463  3.757404       11.04278 
1 1 1 -13 -37 11 o 57.184  4.7282  410.140    65.015   411.350    95.514   409.095    88.749   56.112  7.1800  56.246  6.6303  -0.1337738     9.773049 
1 1 1 -13 -37 12 f 66.688  4.5468  555.384    73.133   620.782    105.145  494.093    101.789  69.642  6.2902  61.741  6.9133  7.901432       9.346634 
1 1 1 -13 -37 13 o 37.308  6.4278  181.410    56.087   129.342    80.336   230.922    78.339   30.789  9.6601  41.470  8.0759  -10.68044      12.59117 
1 1 1 -13 -37 14 o 36.455  6.3658  173.058    54.260   127.003    78.027   216.184    75.505   30.559  9.5093  40.135  8.0337  -9.576172      12.44858 
1 1 1 -13 -37 15 o 71.533  5.6063  646.689    96.527   624.887    112.038  709.485    190.143  69.717  6.7058  70.803  11.459  -1.086166      13.27725 
1 1 1 -13 -37 16 o 28.426  9.3396  106.422    74.500   81.327     85.979   182.031    149.242  26.597  9.9247  36.265  13.153  -9.667490      16.47723 
1 1 1 -13 -37 17 o 39.346  9.5176  213.866    89.874   162.582    108.938  323.156    159.031  34.264  11.295  46.303  13.393  -12.03883      17.52063 
1 1 1 -13 -37 18 o 54.398  7.3733  385.820    94.813   351.972    120.622  440.542    153.373  50.387  10.216  55.474  11.760  -5.087200      15.57724 
1 1 1 -13 -37 19 o 65.407  6.6544  548.424    104.137  658.953    136.835  396.300    160.531  70.879  8.1019  51.855  12.829  19.02449       15.17323 
1 1 1 -13 -37 20 o 16.674  7.5979  -34.6630   67.837   -22.8104   86.673   -53.4040   108.987  19.734  8.8257  20.821  9.5419  -1.087517      12.99771 
1 1 1 -13 -37 21 o 77.505  6.4056  764.539    119.383  713.411    157.872  832.825    182.448  73.171  9.0877  78.590  9.7792  -5.418449      13.34987 
1 1 1 -13 -37 22 o 43.627  5.5361  241.646    57.285   184.274    85.483   288.411    77.178   36.611  9.5301  47.162  6.9530  -10.55084      11.79692 
1 1 1 -13 -37 23 o 28.859  7.3747  110.622    51.832   199.895    79.257   43.911     68.514   38.450  8.6986  22.198  8.7128  16.25227       12.31178 
1 1 1 -13 -37 24 o 108.100 6.2450  1478.71    163.107  1478.71    163.107  0.0000     0.0000   108.100 6.2450  ?       ?       0.000000       6.245046 
1 1 1 -13 -37 25 o 137.208 6.3999  2379.80    213.066  2379.80    213.066  0.0000     0.0000   137.208 6.3999  ?       ?       0.000000       6.399858 
1 1 1 -13 -37 26 o 101.988 6.1867  1315.60    152.374  1315.60    152.374  0.0000     0.0000   101.988 6.1867  ?       ?       0.000000       6.186665 
1 1 1 -13 -37 27 o 24.834  6.9497  80.897     43.527   138.225    79.830   56.644     51.924   31.922  9.5582  22.031  7.7853  9.890976       12.32766 
1 1 1 -13 -37 28 o 36.241  4.7289  165.569    40.593   230.041    86.680   147.457    45.943   41.207  8.9274  33.850  5.8024  7.356258       10.64737 
1 1 1 -13 -37 29 o 64.701  3.8146  517.276    59.621   594.606    108.857  484.138    71.260   68.167  6.6668  62.274  4.7519  5.893223       8.186955 
1 1 1 -13 -37 30 o 21.413  6.1326  59.321     33.491   36.788     81.605   63.884     36.727   22.858  9.3225  22.203  6.4404  0.6550217      11.33081 
1 1 1 -13 -37 31 o 61.591  3.9292  469.591    58.413   531.388    107.973  444.020    69.455   64.180  7.0497  59.573  4.8470  4.606838       8.555181 
1 1 1 -13 -37 32 o 32.562  5.2107  135.394    39.781   189.768    85.432   120.340    44.952   37.109  9.4597  30.336  6.3124  6.772774       11.37243 
1 1 1 -13 -37 33 o 33.540  5.2094  143.532    41.020   252.901    91.852   116.285    45.845   43.090  9.0721  29.740  6.5319  13.34947       11.17892 
1 1 1 -13 -37 34 o 29.900  5.3680  115.022    37.514   120.632    84.140   113.631    41.910   30.089  9.9273  29.516  6.0550  0.5736752      11.62819 
1 1 1 -13 -37 35 o 65.209  3.9481  526.811    62.175   515.068    114.295  531.747    74.097   62.730  7.6687  65.231  4.7132  -2.500572      9.001341 
1 1 1 -13 -37 36 o 37.879  5.3951  183.096    48.185   0.0000     0.0000   183.096    48.185   ?       ?       37.879  5.3951  0.000000       5.395098 
1 1 1 -13 -37 37 o 33.772  8.5381  155.565    70.004   0.0000     0.0000   155.565    70.004   ?       ?       33.772  8.5381  0.000000       8.538094 
1 1 1 -13 -37 38 o 55.669  6.3801  398.409    84.623   448.819    155.641  377.253    100.829  55.611  11.895  53.299  8.0471  2.311634       14.36098 
1 1 1 -13 -37 39 o 54.617  5.8992  380.797    76.937   290.704    129.063  430.459    95.824   44.553  11.765  57.545  7.0075  -12.99236      13.69360 
1 1 1 -13 -37 40 o 11.769  5.2986  -14.0671   31.815   50.770     77.293   -27.2931   34.909   23.373  9.2286  11.437  5.2982  11.93532       10.64133 
1 1 1 -13 -37 41 o 31.976  5.4430  131.786    40.717   117.500    77.269   137.278    47.908   29.474  9.5001  32.349  6.3303  -2.874613      11.41598 
1 1 1 -13 -37 42 o 32.114  5.4135  132.932    40.683   94.231     75.876   148.547    48.196   27.080  9.4225  33.743  6.1117  -6.662750      11.23103 
1 1 1 -13 -37 43 o 29.206  6.3164  112.626    43.459   93.064     74.203   122.839    53.616   26.860  9.3196  30.195  7.3804  -3.334593      11.88804 
1 1 1 -13 -37 44 o 58.027  4.0920  419.717    57.244   532.605    95.016   355.394    71.722   64.371  6.1585  52.707  5.6989  11.66365       8.390734 
1 1 1 -13 -37 45 o 31.401  8.1569  135.524    62.708   117.563    107.640  144.751    77.153   30.028  11.124  32.115  9.3402  -2.087208      14.52559 
1 1 1 -13 -37 46 o 20.070  7.5700  42.703     50.290   146.501    86.044   -11.1488   61.977   32.104  9.9852  17.013  7.5449  15.09132       12.51519 
1 1 1 -13 -37 47 o 70.670  5.7372  640.278    97.529   551.371    168.520  685.053    119.592  60.573  11.890  72.267  6.9043  -11.69388      13.74955 
1 1 1 -13 -37 48 o 30.760  6.1147  125.390    44.030   139.985    76.749   118.230    53.755   31.326  9.3702  29.350  7.5157  1.976807       12.01190 
1 1 1 -13 -37 49 o 21.278  6.9091  58.852     40.815   64.573     68.605   55.718     50.779   23.450  8.8424  21.412  7.6848  2.037989       11.71513 
1 1 1 -13 -37 50 o 27.653  6.3650  103.060    41.823   102.243    74.358   103.437    50.582   27.207  9.3356  27.372  7.4269  -0.1649418     11.92949 
1 1 1 -13 -37 51 o 58.727  4.2777  435.091    60.536   399.788    106.287  452.042    73.649   53.456  8.4773  59.355  5.1653  -5.898998      9.926979 
1 1 1 -13 -37 52 o 55.935  4.3493  396.101    58.564   443.151    102.618  373.375    71.319   56.873  7.6285  53.597  5.5652  3.276337       9.442780 
1 1 1 -13 -37 53 o 44.512  5.3889  258.090    57.017   274.896    94.865   248.585    71.341   43.240  9.3167  42.617  7.1525  0.6230049      11.74557 
1 1 1 -13 -37 54 o 14.322  6.4772  -16.9313   48.168   82.507     154.699  -27.6069   50.688   28.136  12.213  14.054  6.4650  14.08215       13.81833 
1 1 1 -13 -37 55 o 29.895  7.2809  125.777    52.324   132.746    98.576   123.043    61.740   29.526  10.693  29.085  8.3255  0.4415455      13.55157 
1 1 1 -13 -37 56 o 20.585  8.1950  43.924     61.416   -50.1262   106.075  91.349     75.325   19.459  9.0887  25.586  9.3344  -6.126348      13.02825 
1 1 1 -13 -37 57 o 32.953  8.8667  161.942    72.452   178.875    126.595  153.694    88.353   32.678  12.073  31.382  10.163  1.295723       15.78089 
1 1 1 -13 -37 58 o 14.552  6.7519  -34.9205   57.035   41.814     112.035  -61.7641   66.264   23.935  10.391  14.592  6.9270  9.342464       12.48827 
1 1 1 -13 -37 59 o 31.785  7.5215  143.372    57.105   148.210    117.411  141.873    65.356   30.631  11.564  31.096  8.4442  -0.4647083     14.31852 
1 1 1 -13 -37 60 o 20.232  7.7331  46.959     52.922   -8.6015    111.759  63.020     60.086   21.594  9.8061  22.308  8.3022  -0.7142353     12.84852 
1 1 1 -13 -37 61 o 24.545  9.9604  70.503     92.584   151.891    227.572  54.361     101.350  31.963  14.298  23.985  10.133  7.978226       17.52440 
1 1 1 -13 -37 62 o 42.597  10.070  282.754    102.433  611.313    251.262  217.264    112.178  50.700  17.163  35.901  11.434  14.79965       20.62265 
1 1 1 -13 -37 63 f 43.471  10.047  296.956    103.853  498.453    257.231  257.715    113.516  43.574  16.944  38.990  11.327  4.584526       20.38107 
1 1 1 -13 -36 1  o 43.811  8.1896  262.759    83.858   123.793    215.027  287.685    91.068   33.724  14.518  45.679  8.5302  -11.95448      16.83876 
1 1 1 -13 -36 2  o 25.562  9.0394  83.193     70.011   136.304    196.002  75.425     74.956   33.941  14.201  25.071  9.2842  8.869207       16.96669 
1 1 1 -13 -36 3  o 57.753  7.2770  439.571    99.711   516.201    230.138  421.861    110.635  54.500  16.209  55.838  8.4281  -1.338612      18.26885 
1 1 1 -13 -36 4  o 49.949  6.2949  322.789    74.598   338.326    255.850  321.345    77.987   44.339  16.990  49.669  6.6370  -5.329472      18.24014 
1 1 1 -13 -36 5  o 80.918  5.1104  823.968    99.823   1081.94    233.878  766.504    110.383  87.147  11.328  77.568  5.9093  9.579460       12.77696 
1 1 1 -13 -36 6  o 15.956  6.0623  24.094     32.402   16.212     43.852   33.574     48.088   16.685  6.8226  18.995  7.3428  -2.310318      10.02324 
1 1 1 -13 -36 7  o 31.547  5.8791  129.363    43.346   168.699    64.860   97.614     58.270   35.418  7.7616  27.040  8.1819  8.378298       11.27765 
1 1 1 -13 -36 8  o 43.867  4.7604  242.301    49.856   261.703    74.925   226.883    66.790   44.650  7.1575  41.645  6.8477  3.004978       9.905622 
1 1 1 -13 -36 9  o 66.741  4.1962  553.536    67.607   625.249    99.740   492.578    91.957   70.154  5.9146  62.082  6.1869  8.071026       8.559211 
1 1 1 -13 -36 10 o 70.456  4.1256  615.946    70.222   573.811    103.005  652.534    95.984   66.948  6.4196  71.893  5.5452  -4.944580      8.482979 
1 1 1 -13 -36 11 o 42.945  4.8806  232.418    49.954   203.985    72.255   258.451    69.140   39.070  7.8935  44.680  6.5741  -5.609730      10.27259 
1 1 1 -13 -36 12 o 50.327  4.8901  318.044    58.961   245.466    81.217   398.916    85.732   42.888  8.1015  55.762  6.4558  -12.87401      10.35913 
1 1 1 -13 -36 13 f 58.943  4.7277  434.149    67.047   410.172    97.526   455.637    92.325   56.161  7.3319  59.652  6.4831  -3.491112      9.787066 
1 1 1 -13 -36 14 o 79.112  4.2827  775.998    81.904   772.744    117.458  779.078    114.267  78.006  6.2584  78.440  6.0504  -0.4340820     8.704897 
1 1 1 -13 -36 15 o 66.781  4.5434  554.836    73.183   548.172    105.492  561.019    101.609  65.419  6.7425  66.364  6.3890  -0.9452972     9.288731 
1 1 1 -13 -36 16 o 65.272  4.5687  530.056    71.902   506.821    104.973  550.592    98.687   62.781  7.0108  65.833  6.2532  -3.051964      9.394341 
1 1 1 -13 -36 17 o 91.191  4.1532  1025.89    91.898   1047.23    135.578  1007.74    124.992  91.042  6.1739  89.519  5.7854  1.523033       8.460933 
1 1 1 -13 -36 18 o 44.092  12.101  278.272    133.389  0.0000     0.0000   278.272    133.389  ?       ?       44.092  12.101  0.000000       12.10115 
1 1 1 -13 -36 19 o 92.645  9.5154  1138.44    210.864  0.0000     0.0000   1138.44    210.864  ?       ?       92.645  9.5154  0.000000       9.515431 
1 1 1 -13 -36 20 o 188.404 7.1827  4511.97    328.353  4419.20    451.116  4616.49    478.848  181.995 10.257  185.294 10.696  -3.299194      14.81957 
1 1 1 -13 -36 21 o 35.673  9.4881  172.946    83.555   253.097    108.984  58.658     130.139  42.767  10.564  28.364  11.694  14.40317       15.75899 
1 1 1 -13 -36 22 o 68.776  6.5781  601.036    108.435  565.855    141.624  650.880    168.573  65.360  9.1835  69.446  10.318  -4.086090      13.81268 
1 1 1 -13 -36 23 o 21.067  9.1889  -4.6241    88.470   -4.6241    88.470   0.0000     0.0000   21.067  9.1889  ?       ?       0.000000       9.188895 
1 1 1 -13 -36 24 o 81.580  6.2782  840.248    123.320  840.248    123.320  0.0000     0.0000   81.580  6.2782  ?       ?       0.000000       6.278200 
1 1 1 -13 -36 25 o 75.230  6.5945  718.054    119.160  718.054    119.160  0.0000     0.0000   75.230  6.5945  ?       ?       0.000000       6.594496 
1 1 1 -13 -36 26 o 23.734  6.8281  72.973     41.434   92.447     78.031   65.326     48.897   27.451  9.5551  22.971  7.5673  4.479755       12.18871 
1 1 1 -13 -36 27 o 64.854  3.7787  518.536    59.205   496.656    106.605  528.294    71.193   62.191  7.1976  65.241  4.5253  -3.049831      8.501944 
1 1 1 -13 -36 28 o 42.888  4.3606  229.226    44.747   347.337    88.849   189.086    51.796   51.849  7.2614  38.532  5.7131  13.31775       9.239484 
1 1 1 -13 -36 29 o 183.205 4.6777  4154.02    207.936  4310.70    310.623  4026.81    279.902  184.453 6.9404  178.792 6.4520  5.661011       9.476165 
1 1 1 -13 -36 30 o 84.651  3.7439  880.745    76.898   1013.82    129.337  807.984    95.638   89.751  5.9732  80.564  4.9160  9.187592       7.736011 
1 1 1 -13 -36 31 o 41.071  4.6187  211.249    45.230   337.584    93.754   172.927    51.636   50.791  7.8614  36.702  6.0061  14.08873       9.893177 
1 1 1 -13 -36 32 o 81.702  3.7533  820.889    74.406   992.719    126.113  729.139    92.154   88.805  5.8861  76.455  4.9951  12.35000       7.719906 
1 1 1 -13 -36 33 o 63.955  3.9074  505.505    60.344   584.543    112.701  473.738    71.449   67.499  6.9822  61.611  4.8178  5.887794       8.483036 
1 1 1 -13 -36 34 o 56.813  3.9850  399.720    54.587   467.345    102.925  373.254    64.389   60.155  7.1943  54.601  4.9127  5.553837       8.711618 
1 1 1 -13 -36 35 o 80.022  4.8069  798.046    92.902   0.0000     0.0000   798.046    92.902   ?       ?       80.022  4.8069  0.000000       4.806946 
1 1 1 -13 -36 36 f 56.543  4.8717  400.283    66.185   0.0000     0.0000   400.283    66.185   ?       ?       56.543  4.8717  0.000000       4.871697 
1 1 1 -13 -36 37 o 40.958  4.8843  211.454    47.583   185.824    135.809  215.041    50.803   36.470  12.611  41.210  5.1963  -4.739449      13.63938 
1 1 1 -13 -36 38 o 35.760  6.9064  168.011    57.756   217.933    98.287   141.681    71.380   39.460  10.193  32.254  8.8522  7.205933       13.50052 
1 1 1 -13 -36 39 o 59.420  5.8176  448.297    82.801   533.721    135.075  396.873    104.800  63.005  9.0993  54.741  8.1378  8.264523       12.20740 
1 1 1 -13 -36 40 o 53.825  5.8565  368.946    75.253   419.456    123.508  339.123    94.903   55.450  9.5228  50.576  7.9994  4.873981       12.43679 
1 1 1 -13 -36 41 o 39.135  4.5846  192.716    42.710   191.226    74.715   193.439    52.053   37.552  8.4091  38.846  5.6914  -1.293373      10.15402 
1 1 1 -13 -36 42 o 27.001  6.1477  95.786     39.374   117.048    66.805   84.468     48.740   29.406  8.7300  25.280  7.4443  4.125648       11.47298 
1 1 1 -13 -36 43 o 18.162  6.5568  36.478     37.025   96.513     61.139   1.7093     46.528   26.951  8.4226  15.789  6.7744  11.16181       10.80889 
1 1 1 -13 -36 44 o 83.704  3.9050  866.248    79.311   877.917    127.203  858.828    101.443  82.773  6.3828  82.670  5.0818  0.1033707      8.158745 
1 1 1 -13 -36 45 o 35.073  5.6345  158.747    46.327   45.430     76.873   223.369    58.052   22.841  9.1435  41.618  5.9152  -18.77687      10.89000 
1 1 1 -13 -36 46 o 65.644  5.8139  550.288    91.645   365.730    158.053  643.768    112.485  48.601  13.104  70.509  6.6535  -21.90833      14.69627 
1 1 1 -13 -36 47 o 25.420  8.4165  84.904     60.459   138.424    105.549  58.769     73.758   31.603  11.107  23.568  9.0985  8.034700       14.35761 
1 1 1 -13 -36 48 o 47.469  6.6696  295.926    74.700   228.818    133.819  326.302    90.033   38.537  12.510  49.235  7.7960  -10.69796      14.74054 
1 1 1 -13 -36 49 o 11.464  5.2693  -22.0687   33.581   74.125     60.920   -64.0552   40.248   24.108  8.4399  10.459  5.0749  13.64888       9.848111 
1 1 1 -13 -36 50 o 65.732  4.1595  541.294    65.999   503.830    112.481  560.965    81.504   61.103  7.7618  66.402  5.0975  -5.299133      9.285978 
1 1 1 -13 -36 51 o 35.245  5.5938  162.218    46.239   126.995    84.143   177.457    55.345   29.788  9.9323  36.479  6.4907  -6.690929      11.86509 
1 1 1 -13 -36 52 o 75.682  4.1389  719.000    75.718   708.622    129.915  724.339    93.180   72.458  7.4979  75.294  5.1309  -2.836143      9.085396 
1 1 1 -13 -36 53 o 13.754  5.9053  2.0706     35.399   -21.3612   72.978   9.2800     40.480   17.564  7.9553  15.267  6.4244  2.296952       10.22548 
1 1 1 -13 -36 54 o 13.730  6.2112  -17.0896   44.326   11.633     96.618   -24.7466   49.886   21.623  9.5123  14.144  6.4723  7.478275       11.50542 
1 1 1 -13 -36 55 o 17.095  7.0984  18.104     48.444   113.487    103.405  -8.7176    54.834   28.315  10.813  15.870  7.0645  12.44496       12.91593 
1 1 1 -13 -36 56 o 43.256  6.1215  249.482    62.456   306.076    123.741  230.137    72.347   43.320  11.558  40.547  7.6337  2.773132       13.85145 
1 1 1 -13 -36 57 o 15.832  7.1609  -17.4988   58.889   174.457    113.104  -88.8910   68.977   32.800  11.499  13.957  6.7399  18.84303       13.32861 
1 1 1 -13 -36 58 o 22.395  8.7024  58.752     67.819   194.897    134.641  12.466     78.505   33.905  12.463  19.870  8.6618  14.03472       15.17736 
1 1 1 -13 -36 59 o 16.063  7.0070  1.2382     51.453   -1.1226    112.935  1.8565     57.800   22.094  9.9619  16.938  7.4067  5.155943       12.41365 
1 1 1 -13 -36 60 o 21.970  8.0839  60.754     56.668   134.402    119.825  39.537     64.314   29.926  11.585  20.523  8.3109  9.403057       14.25737 
1 1 1 -13 -36 61 f 36.534  10.365  209.180    96.137   65.989     238.689  236.906    105.033  30.091  13.909  38.555  10.798  -8.464006      17.60846 
1 1 1 -13 -36 62 o 36.027  11.142  212.246    107.300  0.0000     0.0000   212.246    107.300  ?       ?       36.027  11.142  0.000000       11.14154 
1 1 1 -13 -36 63 o 42.331  11.002  291.659    114.046  0.0000     0.0000   291.659    114.046  ?       ?       42.331  11.002  0.000000       11.00223 
1 1 1 -13 -36 64 o 48.834  9.7439  367.408    111.410  687.653    291.779  312.749    120.544  49.237  18.301  43.096  11.365  6.141590       21.54247 
1 1 1 -13 -35 1  o 59.327  7.0881  460.789    100.014  217.379    228.974  518.178    111.181  38.712  15.680  62.719  7.4516  -24.00725      17.36039 
1 1 1 -13 -35 2  o 12.364  5.8570  -51.3359   46.891   -359.9624  177.510  -28.1846   48.618   19.467  9.6754  13.965  6.3900  5.501995       11.59503 
1 1 1 -13 -35 3  o 56.225  7.4680  415.405    99.362   564.680    247.880  386.828    108.457  57.503  16.747  53.561  8.6393  3.942570       18.84394 
1 1 1 -13 -35 4  o 46.318  7.6735  284.272    83.221   454.960    173.563  233.315    94.833   54.931  13.189  40.903  9.7019  14.02789       16.37273 
1 1 1 -13 -35 5  o 31.676  8.8444  137.053    70.579   125.301    156.410  140.059    79.089   32.941  13.089  31.934  9.5029  1.006468       16.17519 
1 1 1 -13 -35 6  o 34.811  8.6172  165.120    72.398   18.517     157.994  204.084    81.452   27.913  12.225  38.655  8.8722  -10.74128      15.10486 
1 1 1 -13 -35 7  o 37.539  7.8036  188.196    68.760   109.199    154.302  207.769    76.807   32.099  12.917  39.272  8.3192  -7.172760      15.36419 
1 1 1 -13 -35 8  o 110.953 4.9262  1532.94    132.621  1507.16    277.721  1540.55    150.944  104.277 11.149  110.659 5.6404  -6.381721      12.49463 
1 1 1 -13 -35 9  o 89.346  4.0276  985.133    87.314   948.151    128.499  1016.85    119.008  86.485  6.1637  89.979  5.4770  -3.493950      8.245546 
1 1 1 -13 -35 10 o 43.035  5.1014  233.655    52.232   260.748    80.924   214.307    68.384   44.455  7.7860  40.431  7.2364  4.024029       10.62955 
1 1 1 -13 -35 11 o 53.677  4.3488  358.360    56.152   278.157    82.339   428.091    76.776   46.049  7.6368  58.292  5.4929  -12.24336      9.407055 
1 1 1 -13 -35 12 o 50.789  4.4515  321.264    54.305   332.277    80.276   311.971    73.737   50.872  6.6636  49.417  6.2923  1.454967       9.164998 
1 1 1 -13 -35 13 o 12.871  5.6513  -7.0835    33.956   -13.9098   48.329   -0.4285    47.719   14.976  6.6510  15.903  6.8427  -0.9267855     9.542477 
1 1 1 -13 -35 14 o 67.623  4.0978  565.279    66.920   514.241    98.449   609.116    91.239   63.608  6.4688  69.726  5.4359  -6.117626      8.449491 
1 1 1 -13 -35 15 o 87.316  4.1034  938.801    86.936   900.945    122.593  977.098    123.303  84.634  6.0088  88.265  5.7894  -3.630363      8.344049 
1 1 1 -13 -35 16 o 83.822  4.1688  865.228    84.787   916.422    123.921  820.168    116.259  85.392  6.0194  80.783  5.9736  4.608627       8.480386 
1 1 1 -13 -35 17 o 77.153  4.2382  735.218    79.037   740.536    117.427  730.813    106.868  76.588  6.3769  76.330  5.8139  0.2576675      8.629369 
1 1 1 -13 -35 18 o 119.932 4.1947  1770.36    122.068  1885.46    177.324  1666.68    168.291  122.885 5.9471  115.346 6.0340  7.539223       8.472127 
1 1 1 -13 -35 19 o 138.915 4.3518  2377.01    146.686  2292.18    211.673  2455.39    203.460  135.199 6.4525  140.252 5.9787  -5.053757      8.796557 
1 1 1 -13 -35 20 o 106.368 6.0854  1417.20    156.408  1475.37    210.447  1345.42    233.775  107.223 8.1500  101.288 9.6279  5.934242       12.61419 
1 1 1 -13 -35 21 o 37.935  8.9449  192.260    80.995   220.246    103.626  148.318    129.846  40.166  10.511  34.385  12.294  5.781155       16.17485 
1 1 1 -13 -35 22 o 28.323  10.516  88.860     96.299   88.860     96.299   0.0000     0.0000   28.323  10.516  ?       ?       0.000000       10.51631 
1 1 1 -13 -35 23 o 61.212  9.3159  493.551    134.000  493.551    134.000  0.0000     0.0000   61.212  9.3159  ?       ?       0.000000       9.315922 
1 1 1 -13 -35 24 o 95.569  5.2032  1134.29    120.202  1057.61    189.565  1185.85    155.448  90.393  8.7525  97.027  6.6428  -6.634392      10.98784 
1 1 1 -13 -35 25 o 59.270  4.1264  433.783    58.973   430.783    101.639  435.306    72.408   57.973  7.3940  59.105  5.0988  -1.132343      8.981590 
1 1 1 -13 -35 26 o 37.475  4.4446  175.285    39.626   134.686    83.097   187.235    45.082   31.943  9.7926  38.631  4.9214  -6.688095      10.95968 
1 1 1 -13 -35 27 o 29.890  5.0331  113.374    35.206   67.261     80.676   124.221    39.128   25.471  9.5922  31.239  5.3548  -5.768299      10.98565 
1 1 1 -13 -35 28 o 97.634  3.7598  1169.40    89.069   1368.33    146.794  1053.49    112.053  104.667 5.8028  92.138  5.0311  12.52914       7.680143 
1 1 1 -13 -35 29 o 135.775 4.0629  2266.22    133.852  2427.95    207.379  2150.74    175.242  139.375 6.1322  131.561 5.4897  7.813644       8.230469 
1 1 1 -13 -35 30 o 107.377 3.8109  1415.44    99.290   1604.80    160.614  1298.31    126.318  113.289 5.8631  102.369 5.0855  10.91974       7.761307 
1 1 1 -13 -35 31 o 63.422  3.8785  495.905    59.398   499.335    109.425  494.473    70.724   62.378  7.3722  63.110  4.6513  -0.7318268     8.716864 
1 1 1 -13 -35 32 o 76.403  3.8144  717.039    70.713   792.234    123.800  680.627    86.149   79.148  6.5040  74.018  4.8231  5.129486       8.097166 
1 1 1 -13 -35 33 o 84.034  3.7624  867.416    76.716   1000.15    129.480  795.615    95.231   89.201  6.0175  79.987  4.9308  9.213882       7.779632 
1 1 1 -13 -35 34 o 53.270  4.8403  354.266    61.881   0.0000     0.0000   354.266    61.881   ?       ?       53.270  4.8403  0.000000       4.840334 
1 1 1 -13 -35 35 o 13.503  5.7052  3.1446     32.132   0.0000     0.0000   3.1446     32.132   ?       ?       13.503  5.7052  0.000000       5.705220 
1 1 1 -13 -35 36 o 54.745  4.0989  371.416    54.052   388.423    105.727  365.398    62.892   54.329  8.2822  54.073  4.8449  0.2561874      9.595180 
1 1 1 -13 -35 37 o 49.708  4.3938  307.711    52.449   319.426    113.080  304.500    59.203   48.290  9.9808  49.253  5.0242  -0.9632645     11.17403 
1 1 1 -13 -35 38 o 39.084  4.4232  191.253    41.209   244.762    70.993   164.062    50.607   43.394  6.9791  35.673  6.0636  7.720280       9.245289 
1 1 1 -13 -35 39 o 86.372  5.4963  936.865    114.590  989.508    177.710  899.400    149.920  86.748  8.5542  83.429  7.4855  3.319023       11.36695 
1 1 1 -13 -35 40 o 103.499 5.6110  1346.61    140.385  1374.34    216.305  1326.43    184.528  102.005 8.8263  101.297 7.5622  0.7085495      11.62285 
1 1 1 -13 -35 41 f 28.549  7.6475  108.799    54.040   134.553    94.109   96.129     66.007   31.643  10.502  27.145  8.7838  4.498075       13.69098 
1 1 1 -13 -35 42 o 27.047  5.9525  95.537     38.005   37.982     66.774   123.116    46.223   21.465  8.5451  30.647  6.4215  -9.182180      10.68898 
1 1 1 -13 -35 43 o 39.429  5.1451  197.193    48.050   165.776    77.167   217.087    61.407   34.750  9.0591  40.949  6.3889  -6.199070      11.08539 
1 1 1 -13 -35 44 f 41.587  4.8241  218.114    47.774   215.777    80.059   219.406    59.537   39.886  8.5304  41.246  6.1359  -1.359329      10.50793 
1 1 1 -13 -35 45 o 63.077  4.1400  494.604    63.011   518.664    102.651  480.057    79.819   63.359  6.7825  61.628  5.3921  1.731506       8.664686 
1 1 1 -13 -35 46 o 20.209  7.3984  45.168     47.379   -31.2839   67.828   118.014    66.209   16.759  7.6215  29.450  8.6775  -12.69139      11.54933 
1 1 1 -13 -35 47 o 68.106  5.7945  590.988    94.847   510.404    164.052  631.447    116.244  59.039  11.864  69.692  6.9675  -10.65331      13.75832 
1 1 1 -13 -35 48 o 65.134  5.6290  540.468    88.087   530.776    160.929  544.614    105.254  60.422  11.395  64.688  6.8080  -4.265484      13.27347 
1 1 1 -13 -35 49 o 44.162  4.7910  247.037    50.514   357.150    94.279   202.697    59.827   51.622  7.7676  39.258  6.5086  12.36394       10.13397 
1 1 1 -13 -35 50 o 22.551  6.8784  67.132     41.062   53.060     77.837   72.559     48.335   23.284  9.2396  23.472  7.5083  -0.1883850     11.90564 
1 1 1 -13 -35 51 o 35.727  5.5608  165.870    46.638   275.636    91.339   127.160    54.242   44.394  8.7904  30.481  7.4067  13.91261       11.49479 
1 1 1 -13 -35 52 o 66.284  4.2787  551.950    68.448   538.649    122.049  558.053    82.673   62.727  8.2164  66.121  5.1949  -3.393372      9.720937 
1 1 1 -13 -35 53 o 17.171  6.5886  29.172     38.510   -43.1604   83.068   48.974     43.463   17.780  8.2139  20.059  7.1191  -2.279285      10.86966 
1 1 1 -13 -35 54 o 36.145  6.6848  176.282    56.468   191.491    107.967  170.555    66.252   35.044  11.223  34.827  8.0075  0.2171326      13.78671 
1 1 1 -13 -35 55 o 53.294  5.2414  366.676    66.901   376.728    125.882  362.719    78.978   49.613  10.766  52.285  6.3561  -2.671421      12.50237 
1 1 1 -13 -35 56 o 24.924  8.0221  86.363     55.112   78.263     114.182  88.823     62.928   26.445  10.933  25.306  8.5890  1.139557       13.90299 
1 1 1 -13 -35 57 f 38.970  8.6629  219.998    79.790   359.995    148.247  162.904    94.673   45.825  12.826  32.411  10.523  13.41385       16.59024 
1 1 1 -13 -35 58 o 18.580  7.9503  14.576     63.777   85.011     129.753  -7.8617    73.234   27.363  11.508  18.201  8.1284  9.162649       14.08903 
1 1 1 -13 -35 59 o 32.877  7.4290  151.448    57.867   147.873    122.114  152.483    65.714   30.986  11.770  32.499  8.3030  -1.513592      14.40376 
1 1 1 -13 -35 60 o 11.510  5.5512  -63.8267   46.419   -88.5515   107.872  -58.2080   51.423   18.464  8.7863  12.607  6.0178  5.856503       10.64955 
1 1 1 -13 -35 61 o 19.445  7.6406  38.210     52.743   -103.6517  117.107  74.310     59.074   18.860  9.0242  23.585  8.3073  -4.724340      12.26567 
1 1 1 -13 -35 62 o 30.167  10.890  138.972    102.142  0.0000     0.0000   138.972    102.142  ?       ?       30.167  10.890  0.000000       10.89042 
1 1 1 -13 -35 63 o 22.341  9.7967  22.885     101.754  0.0000     0.0000   22.885     101.754  ?       ?       22.341  9.7967  0.000000       9.796672 
1 1 1 -13 -35 64 o 40.521  10.963  268.331    110.407  105.430    283.435  297.471    119.876  31.216  14.668  42.249  11.421  -11.03354      18.59004 
1 1 1 -13 -34 1  o 47.437  5.5126  286.223    62.268   309.460    82.513   255.483    94.904   48.592  7.2175  43.025  9.3573  5.567444       11.81740 
1 1 1 -13 -34 2  o 15.861  6.5744  11.101     41.448   52.834     55.560   -41.2696   62.240   21.811  8.0077  15.461  7.1312  6.349452       10.72277 
1 1 1 -13 -34 3  o 21.966  8.3793  48.615     62.059   130.385    150.377  31.829     68.132   33.118  12.934  21.087  8.5488  12.03086       15.50369 
1 1 1 -13 -34 4  o 45.326  7.6371  270.830    81.006   409.085    171.583  231.176    91.892   52.201  13.460  41.008  9.4317  11.19228       16.43564 
1 1 1 -13 -34 5  o 18.895  7.8669  16.159     59.726   96.942     146.285  -0.0014    65.428   31.153  12.563  18.436  7.9723  12.71720       14.87875 
1 1 1 -13 -34 6  o 60.809  6.3452  471.706    92.242   429.584    182.650  486.127    106.872  53.365  13.950  61.251  7.3370  -7.885101      15.76141 
1 1 1 -13 -34 7  o 68.916  6.1562  602.369    101.859  547.216    193.377  623.548    119.830  61.017  13.426  69.582  7.2017  -8.565418      15.23548 
1 1 1 -13 -34 8  o 33.422  8.5435  150.447    69.548   127.051    149.814  156.874    78.522   33.278  12.934  33.971  9.2686  -0.6927795     15.91172 
1 1 1 -13 -34 9  o 47.687  7.3038  295.308    81.820   331.068    162.355  283.135    94.729   47.447  13.473  46.028  8.8027  1.419064       16.09374 
1 1 1 -13 -34 10 o 56.469  6.6128  406.986    88.891   144.867    166.097  512.193    105.229  35.173  13.633  63.261  6.9712  -28.08856      15.31157 
1 1 1 -13 -34 11 o 54.014  5.3092  365.892    68.683   446.660    162.402  348.298    75.795   56.260  12.245  52.426  6.0708  3.834419       13.66686 
1 1 1 -13 -34 12 o 33.045  5.5103  139.224    42.627   161.572    62.436   119.714    58.338   35.045  7.5643  30.083  7.8934  4.962200       10.93270 
1 1 1 -13 -34 13 o 63.219  4.0960  493.458    62.492   500.211    92.136   487.704    85.045   62.995  6.1044  62.351  5.6838  0.6439705      8.340835 
1 1 1 -13 -34 14 o 90.744  3.9462  1011.25    86.890   1075.54    127.538  955.568    118.699  92.820  5.6903  87.502  5.6204  5.318138       7.998003 
1 1 1 -13 -34 15 o 71.505  4.0199  629.840    69.463   709.166    101.638  560.313    95.154   75.370  5.5977  66.830  5.9296  8.539581       8.154354 
1 1 1 -13 -34 16 o 81.145  3.9497  808.024    77.766   882.524    113.178  741.393    107.034  84.159  5.5739  77.034  5.7682  7.125404       8.021285 
1 1 1 -13 -34 17 o 56.993  4.6172  402.589    63.301   445.250    96.496   370.363    83.868   59.243  6.8385  54.078  6.5233  5.164165       9.450905 
1 1 1 -13 -34 18 o 12.104  5.6883  -43.6251   42.649   22.209     66.711   -89.1310   55.463   20.472  8.3981  12.353  5.9850  8.119023       10.31253 
1 1 1 -13 -34 19 o 97.732  4.1330  1172.36    98.010   1021.75    142.385  1307.98    135.114  90.239  6.5474  102.660 5.4436  -12.42126      8.514797 
1 1 1 -13 -34 20 o 114.057 4.1444  1596.50    114.697  1646.44    166.546  1551.44    158.188  114.969 5.9909  111.658 5.8592  3.311203       8.379826 
1 1 1 -13 -34 21 o 58.689  9.6329  452.869    132.414  452.869    132.414  0.0000     0.0000   58.689  9.6329  ?       ?       0.000000       9.632869 
1 1 1 -13 -34 22 o 38.409  10.906  198.724    106.391  198.724    106.391  0.0000     0.0000   38.409  10.906  ?       ?       0.000000       10.90635 
1 1 1 -13 -34 23 o 41.348  6.7339  218.549    65.234   287.313    109.905  181.145    81.057   46.368  10.058  36.953  9.1004  9.415306       13.56396 
1 1 1 -13 -34 24 o 36.645  7.3773  174.208    63.326   183.851    108.483  169.225    77.992   37.078  11.151  35.739  8.9994  1.339752       14.32982 
1 1 1 -13 -34 25 o 38.408  6.0674  187.410    54.666   125.116    110.867  207.420    62.836   32.171  11.375  40.278  6.6623  -8.107315      13.18267 
1 1 1 -13 -34 26 o 59.565  3.8741  436.510    55.688   570.199    100.712  377.634    66.834   67.431  6.2257  55.107  5.0547  12.32372       8.019311 
1 1 1 -13 -34 27 f 106.432 3.7863  1387.52    97.780   1491.42    156.639  1321.18    125.162  109.446 5.9205  103.496 4.9841  5.949715       7.739034 
1 1 1 -13 -34 28 o 93.245  3.7278  1064.84    84.343   1145.87    139.036  1017.65    106.093  95.837  6.0094  90.743  4.8359  5.094421       7.713554 
1 1 1 -13 -34 29 o 9.3067  4.4272  -34.3126   27.341   17.609     76.053   -42.0187   29.299   21.229  8.8611  9.3174  4.4728  11.91128       9.925965 
1 1 1 -13 -34 30 o 53.487  4.0754  353.152    52.493   446.471    100.538  318.178    61.548   59.216  7.1413  50.505  5.0919  8.711540       8.770741 
1 1 1 -13 -34 31 o 80.594  3.7741  796.255    73.805   901.925    127.041  742.422    90.676   84.822  6.2160  77.418  4.8516  7.403305       7.885184 
1 1 1 -13 -34 32 o 67.573  4.1579  563.224    67.842   722.063    153.214  524.486    75.664   74.676  8.6137  65.011  4.8312  9.665558       9.876060 
1 1 1 -13 -34 33 o 89.333  4.7318  987.669    102.200  0.0000     0.0000   987.669    102.200  ?       ?       89.333  4.7318  0.000000       4.731801 
1 1 1 -13 -34 34 o 52.953  4.7975  349.162    60.972   0.0000     0.0000   349.162    60.972   ?       ?       52.953  4.7975  0.000000       4.797504 
1 1 1 -13 -34 35 o 38.830  4.6578  188.743    43.010   141.546    93.134   201.536    48.490   32.686  10.419  40.022  5.1100  -7.335751      11.60450 
1 1 1 -13 -34 36 o 49.118  3.9238  298.399    46.374   275.255    78.131   310.987    57.620   46.129  7.2172  49.913  4.8175  -3.784985      8.677330 
1 1 1 -13 -34 37 o 53.888  3.8734  358.807    50.309   391.092    83.734   340.569    62.934   55.468  6.3351  52.168  5.0343  3.299778       8.091885 
1 1 1 -13 -34 38 o 40.640  4.3886  206.181    42.588   143.425    72.749   238.901    52.530   32.639  8.9281  43.589  5.0608  -10.95074      10.26271 
1 1 1 -13 -34 39 o 20.540  7.5060  45.602     48.736   20.997     82.806   58.643     60.282   21.970  9.2139  22.933  8.3529  -0.9630089     12.43653 
1 1 1 -13 -34 40 o 62.891  5.5900  498.151    84.413   535.418    135.904  474.743    107.710  63.412  9.0930  60.517  7.4956  2.894650       11.78415 
1 1 1 -13 -34 41 o 56.006  5.7770  397.111    77.378   427.200    126.025  378.904    98.032   56.203  9.5852  53.835  7.7263  2.368252       12.31145 
1 1 1 -13 -34 42 o 13.846  6.1511  -12.2741   41.371   12.924     77.825   -22.1997   48.845   20.822  8.8428  14.464  6.5338  6.358430       10.99481 
1 1 1 -13 -34 43 o 42.197  4.8974  224.219    49.210   189.939    78.909   246.037    62.952   37.378  8.8394  43.816  6.0855  -6.437912      10.73170 
1 1 1 -13 -34 44 o 20.779  6.6949  54.075     38.377   23.372     63.283   71.935     48.265   19.894  8.1724  23.674  7.4955  -3.780312      11.08919 
1 1 1 -13 -34 45 o 13.846  5.9772  -1.6319    36.648   3.4390     65.902   -3.9022    44.096   18.699  8.0436  14.965  6.5080  3.733843       10.34673 
1 1 1 -13 -34 46 o 39.425  5.0789  197.072    47.455   328.479    84.038   135.557    57.499   50.184  7.0996  31.803  7.5620  18.38187       10.37251 
1 1 1 -13 -34 47 o 61.574  5.6335  481.058    83.234   349.651    146.920  543.168    101.007  48.475  12.431  65.006  6.4905  -16.53084      14.02385 
1 1 1 -13 -34 48 o 17.580  7.2377  17.130     49.771   68.797     101.362  0.7159     57.133   26.426  10.526  17.256  7.4559  9.170092       12.89887 
1 1 1 -13 -34 49 o 59.482  5.7958  452.161    82.587   467.856    154.870  445.925    97.626   56.496  11.683  58.389  7.0322  -1.893242      13.63644 
1 1 1 -13 -34 50 o 21.905  6.8246  62.413     40.175   138.600    82.311   38.587     46.031   31.409  9.7657  19.236  7.2453  12.17282       12.15987 
1 1 1 -13 -34 51 o 27.562  6.6156  101.843    43.681   97.952     82.042   103.382    51.603   27.372  9.7739  27.556  7.5118  -0.1842918     12.32706 
1 1 1 -13 -34 52 o 39.816  5.2389  203.747    49.384   119.686    95.747   234.215    57.643   29.527  10.557  42.507  5.7352  -12.98017      12.01442 
1 1 1 -13 -34 53 o 50.179  4.6758  319.268    56.274   321.628    106.628  318.357    66.252   47.326  9.6136  49.654  5.5966  -2.328194      11.12402 
1 1 1 -13 -34 54 o 25.649  6.8700  89.635     43.613   146.212    90.294   72.418     49.809   31.530  10.278  23.327  7.6353  8.203419       12.80389 
1 1 1 -13 -34 55 o 21.801  7.7352  59.829     51.308   -90.5947   107.200  104.525    58.435   18.525  8.7986  27.286  8.1794  -8.761667      12.01329 
1 1 1 -13 -34 56 o 31.343  7.4515  136.874    55.838   205.932    114.959  115.551    63.879   35.900  11.589  28.429  8.5588  7.471451       14.40713 
1 1 1 -13 -34 57 o 36.867  6.6738  184.099    57.503   182.953    114.115  184.489    66.573   33.895  11.566  36.253  7.7995  -2.357788      13.95005 
1 1 1 -13 -34 58 o 10.395  5.1080  -84.3768   44.692   -449.3864  110.026  -12.2507   48.909   ?       ?       14.793  6.6219  0.000000       6.621858 
1 1 1 -13 -34 59 o 21.850  8.6070  51.376     67.082   199.261    133.217  1.1372     77.645   34.700  12.448  19.250  8.4954  15.44945       15.07047 
1 1 1 -13 -34 60 o 19.051  7.5674  34.143     52.262   54.435     109.417  28.146     59.487   24.865  10.518  19.237  7.9154  5.628073       13.16372 
1 1 1 -13 -34 61 o 13.510  6.2786  -34.8443   49.618   -75.6171   115.615  -25.6394   54.934   19.682  9.2853  14.866  6.7986  4.816415       11.50816 
1 1 1 -13 -34 62 o 19.088  8.6467  -18.3941   86.235   48.490     253.479  -27.1485   91.705   30.540  14.192  19.231  8.7907  11.30858       16.69396 
1 1 1 -13 -34 63 o 35.542  10.899  201.234    102.919  849.082    277.226  97.674     110.840  63.240  17.482  27.369  10.971  35.87120       20.63955 
1 1 1 -13 -34 64 o 48.411  9.8743  355.581    112.058  425.454    293.790  343.685    121.222  40.718  17.230  46.463  10.935  -5.745300      20.40698 
1 1 1 -13 -33 1  f 23.215  6.8399  70.091     41.138   -17.5057   60.458   145.614    56.137   16.590  7.3989  33.163  7.1842  -16.57270      10.31292 
1 1 1 -13 -33 2  o 8.1850  4.0133  -53.0533   27.129   -69.8599   34.482   -25.7483   43.951   9.1029  4.4758  13.358  6.0981  -4.254745      7.564304 
1 1 1 -13 -33 3  o 31.131  5.7850  125.114    42.089   104.125    60.538   144.751    58.557   28.015  8.3089  33.012  7.4832  -4.996880      11.18194 
1 1 1 -13 -33 4  o 60.246  4.1964  450.114    60.961   472.648    90.107   431.096    82.780   60.994  6.1735  58.327  5.9317  2.666134       8.561386 
1 1 1 -13 -33 5  o 61.066  4.7375  464.781    69.646   404.592    90.392   552.713    109.257  56.171  6.7685  65.662  6.9639  -9.491360      9.711214 
1 1 1 -13 -33 6  o 90.277  4.5036  1007.41    98.650   1020.33    128.565  988.902    153.835  90.077  5.9151  87.886  7.2795  2.191338       9.379705 
1 1 1 -13 -33 7  o 75.099  6.0117  710.367    108.627  812.630    197.746  666.172    129.998  77.378  10.829  71.952  7.5591  5.425407       13.20638 
1 1 1 -13 -33 8  o 74.456  5.9913  697.275    107.323  733.825    195.544  681.519    128.388  73.241  11.372  72.961  7.3524  0.2799988      13.54201 
1 1 1 -13 -33 9  o 35.660  8.2936  168.894    70.405   162.429    145.061  170.886    80.526   35.774  12.968  35.645  9.2356  0.1285324      15.92096 
1 1 1 -13 -33 10 o 112.183 6.0044  1574.09    162.847  1439.56    268.205  1652.66    204.951  103.873 10.799  114.046 7.4473  -10.17326      13.11820 
1 1 1 -13 -33 11 o 28.787  8.6345  107.919    65.104   47.120     132.735  127.179    74.708   28.240  11.740  31.077  9.2333  -2.837053      14.93593 
1 1 1 -13 -33 12 o 110.710 5.8355  1527.34    156.204  1661.40    252.416  1444.15    198.855  113.266 9.2656  106.583 7.7421  6.683151       12.07439 
1 1 1 -13 -33 13 o 124.496 4.8377  1910.78    146.137  2251.04    282.448  1786.40    170.770  132.437 8.8403  119.926 5.8686  12.51060       10.61093 
1 1 1 -13 -33 14 f 71.874  3.9897  635.227    69.304   677.198    101.820  598.997    94.600   73.702  5.7389  69.312  5.6747  4.390022       8.070719 
1 1 1 -13 -33 15 o 52.183  4.3958  336.724    55.140   297.696    80.945   370.516    75.319   48.293  7.1216  54.394  5.7961  -6.101147      9.182142 
1 1 1 -13 -33 16 f 86.087  3.9187  907.634    81.855   856.748    119.150  953.116    112.645  82.928  5.9612  87.718  5.3176  -4.790253      7.988276 
1 1 1 -13 -33 17 o 176.759 4.6784  3840.33    200.650  3782.15    287.725  3895.42    279.959  174.156 6.8088  176.944 6.5207  -2.787048      9.427620 
1 1 1 -13 -33 18 o 198.629 5.0064  4856.77    241.287  4773.09    344.770  4937.11    337.800  195.347 7.2738  198.896 6.9995  -3.549408      10.09461 
1 1 1 -13 -33 19 o 81.931  4.6712  827.131    92.477   876.674    121.447  758.763    142.666  83.944  6.0022  77.439  7.6946  6.504395       9.758721 
1 1 1 -13 -33 20 o 109.072 5.9961  1476.68    158.080  1476.68    158.080  0.0000     0.0000   109.072 5.9961  ?       ?       0.000000       5.996100 
1 1 1 -13 -33 21 o 61.458  6.7792  475.154    99.411   475.154    99.411   0.0000     0.0000   61.458  6.7792  ?       ?       0.000000       6.779203 
1 1 1 -13 -33 22 o 58.648  5.1053  426.349    71.926   433.573    95.636   416.941    109.134  58.661  6.8480  57.094  8.1054  1.567093       10.61097 
1 1 1 -13 -33 23 o 20.153  7.7897  34.445     54.116   97.015     95.522   4.8714     65.671   29.289  10.537  19.127  8.1230  10.16142       13.30456 
1 1 1 -13 -33 24 o 51.754  5.4142  333.606    66.982   415.435    123.910  299.822    79.617   56.525  9.3622  48.620  6.9463  7.904865       11.65771 
1 1 1 -13 -33 25 o 59.333  5.2620  436.900    74.969   571.432    135.549  377.610    89.985   66.809  8.5585  54.663  6.9410  12.14680       11.01926 
1 1 1 -13 -33 26 o 106.199 5.1495  1388.65    132.693  1667.92    213.143  1211.92    169.559  115.133 7.6737  98.304  7.1578  16.82829       10.49375 
1 1 1 -13 -33 27 o 76.939  3.7017  723.800    69.105   972.710    119.045  597.292    84.869   88.595  5.5661  69.481  5.0690  19.11441       7.528358 
1 1 1 -13 -33 28 o 195.408 4.7663  4693.98    225.988  5205.00    335.560  4269.82    305.711  204.418 6.7653  185.117 6.8062  19.30157       9.596511 
1 1 1 -13 -33 29 o 171.141 4.4283  3595.05    183.890  4030.17    276.641  3250.57    246.143  180.117 6.3299  161.796 6.2698  18.32059       8.909458 
1 1 1 -13 -33 30 o 74.033  3.7517  672.383    67.174   895.773    115.437  558.012    82.599   84.926  5.6340  67.097  5.1120  17.82933       7.607485 
1 1 1 -13 -33 31 o 45.976  4.6107  262.397    50.742   305.174    133.848  255.218    54.835   47.256  11.728  45.225  5.0853  2.031776       12.78336 
1 1 1 -13 -33 32 o 70.100  4.6262  607.086    78.245   0.0000     0.0000   607.086    78.245   ?       ?       70.100  4.6262  0.000000       4.626194 
1 1 1 -13 -33 33 o 116.960 5.0565  1688.70    143.498  0.0000     0.0000   1688.70    143.498  ?       ?       116.960 5.0565  0.000000       5.056466 
1 1 1 -13 -33 34 o 97.271  3.8101  1159.77    89.925   1410.29    148.940  1016.05    112.806  106.406 5.7906  90.522  5.1572  15.88408       7.754196 
1 1 1 -13 -33 35 o 19.379  6.1259  46.355     32.249   86.637     58.426   28.705     38.673   26.121  8.2443  17.538  6.6327  8.583651       10.58117 
1 1 1 -13 -33 36 o 113.493 3.8591  1580.74    106.271  1513.83    164.531  1628.63    139.204  109.922 6.1940  114.756 4.9993  -4.833893      7.959855 
1 1 1 -13 -33 37 o 27.341  5.4634  95.972     34.976   99.356     62.462   94.427     42.216   27.682  8.4907  26.919  6.5300  0.7629051      10.71135 
1 1 1 -13 -33 38 o 72.117  3.7727  640.232    65.787   502.339    106.116  726.316    83.843   62.678  7.1029  76.586  4.5320  -13.90742      8.425578 
1 1 1 -13 -33 39 o 67.116  3.8123  555.191    61.828   622.635    99.474   512.734    78.925   70.355  5.8810  64.086  5.1183  6.268677       7.796351 
1 1 1 -13 -33 40 o 88.730  5.4936  984.863    117.693  949.771    181.398  1010.37    154.665  85.083  8.9193  88.910  7.2320  -3.827133      11.48288 
1 1 1 -13 -33 41 f 55.829  5.7689  393.728    77.020   299.836    124.908  451.328    97.833   46.210  11.246  59.318  6.9278  -13.10745      13.20896 
1 1 1 -13 -33 42 o 64.741  5.5697  527.312    86.642   620.498    139.174  468.344    110.712  68.715  8.5308  59.977  7.7916  8.737873       11.55347 
1 1 1 -13 -33 43 o 29.752  5.8974  114.658    41.070   146.318    70.342   98.283     50.588   32.915  8.6825  27.261  7.4401  5.653921       11.43417 
1 1 1 -13 -33 44 o 28.174  6.4532  104.087    43.167   59.980     76.538   124.661    52.274   24.277  9.2949  30.695  7.1514  -6.417534      11.72765 
1 1 1 -13 -33 45 o 12.112  5.5224  -21.1462   35.906   37.855     67.554   -44.3776   42.389   21.577  8.5933  11.941  5.6298  9.636970       10.27325 
1 1 1 -13 -33 46 o 52.065  4.3703  337.867    54.700   184.681    97.630   407.954    66.038   36.334  10.489  57.090  4.8121  -20.75602      11.54055 
1 1 1 -13 -33 47 o 18.273  6.8851  33.164     41.576   -61.9964   102.185  52.043     45.514   19.676  9.0968  20.950  7.2973  -1.274393      11.66201 
1 1 1 -13 -33 48 o 31.794  7.5906  135.692    57.749   113.490    116.688  142.894    66.458   30.515  11.526  32.405  8.3873  -1.889791      14.25460 
1 1 1 -13 -33 49 o 14.953  6.5435  -5.8467    45.190   3.1083     102.314  -8.0170    50.369   22.572  9.8626  15.626  6.8713  6.945855       12.02022 
1 1 1 -13 -33 50 o 70.519  4.1602  619.092    70.868   652.576    122.886  602.406    86.747   70.620  7.2757  69.061  5.2152  1.558968       8.951796 
1 1 1 -13 -33 51 o 19.494  6.7193  45.896     38.542   -43.3018   76.393   76.352     44.639   17.209  7.9240  23.986  7.1397  -6.777103      10.66602 
1 1 1 -13 -33 52 o 36.532  5.4920  172.420    47.176   119.097    90.077   192.574    55.378   29.518  10.267  38.367  6.1569  -8.848461      11.97133 
1 1 1 -13 -33 53 o 44.132  4.9702  248.281    52.295   439.881    100.830  177.778    61.164   57.404  7.4122  36.295  7.1995  21.10957       10.33318 
1 1 1 -13 -33 54 o 58.551  4.4884  432.350    63.281   521.220    115.982  394.681    75.510   62.024  7.8850  55.285  5.7114  6.738815       9.736143 
1 1 1 -13 -33 55 o 18.487  7.4171  28.388     50.709   35.620     105.933  26.238     57.757   23.966  10.250  19.067  7.8171  4.898533       12.89106 
1 1 1 -13 -33 56 o 18.520  7.4450  28.679     51.204   117.884    107.598  2.5632     58.219   29.194  11.058  17.224  7.4841  11.97066       13.35261 
1 1 1 -13 -33 57 o 26.763  8.0534  100.465    56.569   75.624     116.228  108.175    64.756   26.627  11.021  27.607  8.6748  -0.9802380     14.02524 
1 1 1 -13 -33 58 o 26.038  9.0210  93.613     69.512   43.174     135.333  111.688    81.015   25.899  11.329  27.989  9.7365  -2.090590      14.93800 
1 1 1 -13 -33 59 o 33.436  9.1433  164.180    76.313   171.107    145.302  161.542    89.677   32.996  12.761  32.658  10.200  0.3378487      16.33664 
1 1 1 -13 -33 60 o 28.990  8.0499  119.171    58.638   147.095    121.294  110.655    66.985   31.285  11.766  27.828  8.8323  3.456251       14.71180 
1 1 1 -13 -33 61 o 24.709  8.1810  83.519     57.123   444.636    123.330  -15.1110   64.454   55.349  9.5269  16.839  7.5651  38.51026       12.16524 
1 1 1 -13 -33 62 o 52.953  9.2612  404.918    114.661  582.509    284.413  370.453    125.294  49.951  18.151  49.189  10.794  0.7621651      21.11814 
1 1 1 -13 -33 63 o 63.906  8.3310  572.601    126.108  891.450    306.241  507.491    138.387  62.932  18.693  58.325  10.147  4.606453       21.26962 
1 1 1 -13 -33 64 o 30.244  10.733  139.955    98.779   108.751    278.933  144.429    105.623  32.189  14.934  30.593  11.070  1.595980       18.58938 
1 1 1 -13 -32 1  o 20.827  6.4950  54.808     36.378   72.057     49.903   35.248     53.142   23.815  7.6303  19.864  7.7078  3.950750       10.84580 
1 1 1 -13 -32 2  o 30.273  5.6949  118.073    40.297   119.283    58.110   116.951    55.929   29.930  7.8899  29.666  7.7021  0.2641201      11.02598 
1 1 1 -13 -32 3  o 36.448  5.0059  167.755    43.102   199.294    63.037   140.065    59.066   39.173  6.8832  32.506  7.6212  6.667160       10.26941 
1 1 1 -13 -32 4  o 75.879  3.9798  710.263    73.019   778.643    108.437  653.534    98.767   78.784  5.7113  72.155  5.6874  6.629082       8.060136 
1 1 1 -13 -32 5  o 18.844  6.2332  42.772     33.164   23.921     48.069   59.894     45.813   18.193  7.2478  22.121  7.3266  -3.927893      10.30580 
1 1 1 -13 -32 6  o 50.188  4.2464  312.189    51.226   298.258    76.401   323.566    69.045   48.299  6.6997  50.678  5.7147  -2.378979      8.805869 
1 1 1 -13 -32 7  o 34.480  5.2457  150.425    42.503   132.457    62.423   165.953    58.032   31.655  8.0952  35.770  6.9367  -4.114775      10.66069 
1 1 1 -13 -32 8  o 46.501  5.1092  270.389    56.696   251.845    73.231   298.135    89.579   44.270  7.0542  47.905  7.9878  -3.635258      10.65683 
1 1 1 -13 -32 9  o 55.903  6.4939  395.060    86.444   570.455    162.326  325.630    102.131  65.411  10.590  49.863  8.7612  15.54818       13.74399 
1 1 1 -13 -32 10 f 22.280  8.1772  52.163     57.931   -111.3780  121.087  100.707    65.970   20.388  9.5823  28.073  8.7451  -7.685097      12.97300 
1 1 1 -13 -32 11 o 49.599  6.8488  312.531    80.225   392.737    148.734  279.622    95.272   53.720  11.739  46.210  8.8187  7.510273       14.68218 
1 1 1 -13 -32 12 o 96.472  5.7292  1155.27    133.507  1047.67    218.899  1219.01    168.467  89.662  10.246  98.521  7.0948  -8.859749      12.46239 
1 1 1 -13 -32 13 o 58.371  6.2217  427.013    86.762   420.510    153.793  430.049    105.080  55.824  11.727  58.123  7.6357  -2.298672      13.99377 
1 1 1 -13 -32 14 o 36.493  7.9737  173.275    68.632   74.946     129.499  211.681    80.932   30.007  11.914  40.265  8.5481  -10.25838      14.66371 
1 1 1 -13 -32 15 o 74.307  4.7241  680.459    84.732   661.488    172.039  686.534    97.359   71.278  10.242  74.456  5.4264  -3.178070      11.59034 
1 1 1 -13 -32 16 o 55.806  4.2794  383.558    57.506   404.942    83.703   364.442    79.140   56.909  6.1601  53.957  6.1550  2.951660       8.708047 
1 1 1 -13 -32 17 o 204.171 5.0766  5122.30    251.495  5071.06    359.013  5171.68    352.415  201.762 7.3334  203.905 7.1230  -2.142395      10.22332 
1 1 1 -13 -32 18 o 45.884  5.3824  262.395    58.786   249.937    74.773   282.560    95.127   44.308  7.2023  46.727  8.7107  -2.418797      11.30263 
1 1 1 -13 -32 19 o 80.620  5.6753  804.376    110.311  804.376    110.311  0.0000     0.0000   80.620  5.6753  ?       ?       0.000000       5.675341 
1 1 1 -13 -32 20 o 40.239  7.4404  207.456    69.969   207.456    69.969   0.0000     0.0000   40.239  7.4404  ?       ?       0.000000       7.440436 
1 1 1 -13 -32 21 o 104.071 4.6016  1326.89    116.200  1333.69    149.799  1316.61    184.125  103.831 5.9710  102.617 7.4456  1.214554       9.544104 
1 1 1 -13 -32 22 o 151.438 5.0400  2814.83    185.194  2804.47    233.939  2832.21    303.100  150.627 6.4008  150.189 8.3503  0.4378204      10.52134 
1 1 1 -13 -32 23 o 142.573 4.0687  2484.89    140.752  2627.55    214.264  2376.59    186.682  145.942 6.0507  138.986 5.5357  6.956543       8.200862 
1 1 1 -13 -32 24 o 93.187  5.0388  1068.90    113.510  1175.54    185.997  1005.61    143.287  96.714  7.9977  89.909  6.6145  6.804710       10.37862 
1 1 1 -13 -32 25 o 25.711  7.0869  84.640     45.635   -40.6849   103.715  114.728    50.818   21.392  9.6047  29.819  7.1216  -8.427368      11.95688 
1 1 1 -13 -32 26 o 94.967  5.1312  1110.94    117.799  1093.81    192.579  1121.19    148.907  92.963  8.6363  94.975  6.5007  -2.012672      10.80948 
1 1 1 -13 -32 27 o 45.578  5.6995  259.761    61.652   94.447     117.296  322.867    72.471   30.584  11.555  50.815  5.9930  -20.23042      13.01668 
1 1 1 -13 -32 28 o 204.681 4.8938  5143.10    243.046  5624.23    358.977  4735.88    330.256  212.771 6.9533  195.233 6.9716  17.53746       9.846403 
1 1 1 -13 -32 29 o 51.239  4.0968  323.251    50.508   337.865    95.518   317.579    59.507   51.418  7.9096  50.624  4.9061  0.7935143      9.307639 
1 1 1 -13 -32 30 o 63.728  4.6473  500.894    71.367   0.0000     0.0000   500.894    71.367   ?       ?       63.728  4.6473  0.000000       4.647343 
1 1 1 -13 -32 31 o 42.146  5.1762  221.800    51.821   0.0000     0.0000   221.800    51.821   ?       ?       42.146  5.1762  0.000000       5.176178 
1 1 1 -13 -32 32 o 63.937  4.6863  504.775    72.196   0.0000     0.0000   504.775    72.196   ?       ?       63.937  4.6863  0.000000       4.686304 
1 1 1 -13 -32 33 o 96.987  3.7856  1151.00    89.087   1289.60    146.222  1069.18    112.345  101.866 5.9417  93.056  4.9938  8.809639       7.761580 
1 1 1 -13 -32 34 f 41.742  4.2246  215.861    42.199   289.040    72.002   177.574    52.081   47.819  6.3636  37.418  5.9344  10.40142       8.701278 
1 1 1 -13 -32 35 o 20.273  6.0258  51.815     31.814   -13.7013   56.511   82.214     38.494   16.431  7.2496  25.219  6.3070  -8.787659      9.609138 
1 1 1 -13 -32 36 o 55.326  3.8064  376.799    50.787   382.242    84.391   373.709    63.592   55.003  6.4455  54.858  4.8266  0.1446304      8.052355 
1 1 1 -13 -32 37 o 37.451  4.6494  175.351    41.341   167.334    71.371   179.399    50.716   35.568  8.4034  37.608  5.7397  -2.039608      10.17651 
1 1 1 -13 -32 38 o 32.186  5.2592  131.443    39.653   173.926    66.010   107.456    49.600   36.419  7.7101  28.659  7.1549  7.760347       10.51847 
1 1 1 -13 -32 39 o 44.235  4.3292  243.148    45.871   219.357    76.714   256.389    57.229   40.859  8.0243  45.170  5.3239  -4.311172      9.629786 
1 1 1 -13 -32 40 o 14.188  5.8523  8.4476     32.617   -34.9946   56.896   29.714     39.808   15.091  6.9079  17.767  6.7270  -2.676246      9.642135 
1 1 1 -13 -32 41 o 77.842  5.4324  757.468    101.962  797.746    160.033  729.946    132.289  78.238  8.5702  75.518  7.3111  2.720665       11.26497 
1 1 1 -13 -32 42 o 32.404  7.2774  138.309    55.820   50.549     95.106   184.427    68.944   25.195  10.140  37.335  7.8592  -12.13935      12.82934 
1 1 1 -13 -32 43 o 25.756  7.6818  86.460     51.637   110.467    90.332   74.807     62.933   29.598  10.282  24.830  8.5846  4.767424       13.39456 
1 1 1 -13 -32 44 o 36.346  4.8196  166.494    41.456   125.345    74.969   184.618    49.755   30.621  9.2839  38.088  5.5466  -7.466837      10.81459 
1 1 1 -13 -32 45 o 21.389  6.5662  58.240     37.347   25.279     69.809   71.456     44.204   20.853  8.5770  23.535  7.1274  -2.681744      11.15188 
1 1 1 -13 -32 46 o 40.809  4.9898  209.969    48.380   278.746    87.312   179.497    58.118   45.857  8.1455  37.131  6.6972  8.725903       10.54515 
1 1 1 -13 -32 47 o 33.181  6.1298  142.754    47.534   149.763    115.775  141.333    52.131   33.452  11.639  32.808  6.7731  0.6444473      13.46648 
1 1 1 -13 -32 48 o 24.481  7.8529  77.052     52.846   29.978     111.318  90.747     60.043   25.011  10.596  26.353  8.3619  -1.342375      13.49811 
1 1 1 -13 -32 49 o 27.673  8.0430  102.451    57.227   111.772    107.536  98.768     67.593   30.043  11.121  27.402  8.8909  2.640549       14.23834 
1 1 1 -13 -32 50 o 90.618  5.5697  1037.63    121.871  1261.04    215.054  931.937    147.916  96.656  9.2839  84.687  7.2689  11.96901       11.79100 
1 1 1 -13 -32 51 o 49.434  4.6553  307.348    55.181   326.082    102.638  299.731    65.444   48.751  9.0087  48.402  5.6804  0.3486252      10.65008 
1 1 1 -13 -32 52 f 14.559  6.1904  3.8423     38.226   85.301     82.301   -18.5643   43.164   26.394  9.7374  13.609  6.1453  12.78506       11.51444 
1 1 1 -13 -32 53 o 44.749  5.1641  255.523    55.042   162.027    102.819  293.080    65.166   33.428  10.971  47.695  5.7468  -14.26702      12.38538 
1 1 1 -13 -32 54 o 39.840  5.3913  204.555    50.778   347.900    101.552  156.767    58.635   50.164  8.6561  33.976  7.3279  16.18786       11.34137 
1 1 1 -13 -32 55 o 21.423  7.6260  56.132     49.908   115.717    92.648   31.773     59.237   28.993  10.383  19.762  7.9854  9.230974       13.09850 
1 1 1 -13 -32 56 f 66.749  4.9357  566.782    79.372   773.239    151.285  488.370    93.234   74.863  8.4780  60.990  6.3953  13.87251       10.61959 
1 1 1 -13 -32 57 o 48.867  5.7282  310.846    66.631   410.156    131.426  276.489    77.302   52.246  10.726  45.125  7.3100  7.120903       12.98049 
1 1 1 -13 -32 58 o 38.017  9.2619  210.860    84.649   309.914    160.344  172.588    99.670   42.159  13.694  33.597  10.785  8.562218       17.43172 
1 1 1 -13 -32 59 f 40.627  8.7275  235.939    83.468   163.990    165.085  260.648    96.744   33.000  13.332  42.043  9.6833  -9.043121      16.47759 
1 1 1 -13 -32 60 o 35.752  7.5861  177.246    63.770   263.207    137.458  153.672    71.985   39.773  12.655  32.585  8.8677  7.187786       15.45299 
1 1 1 -13 -32 61 o 23.717  8.2436  74.072     58.070   45.204     132.383  80.950     64.618   25.985  11.288  24.688  8.6892  1.296804       14.24526 
1 1 1 -13 -32 62 o 54.623  5.7951  388.856    75.633   179.105    159.038  450.158    85.978   33.793  13.271  58.566  6.1418  -24.77221      14.62354 
1 1 1 -13 -32 63 o 34.529  10.759  184.429    99.845   -112.4260  274.968  229.515    107.160  28.204  13.580  38.314  10.969  -10.11047      17.45638 
1 1 1 -13 -32 64 o 54.093  9.3011  425.592    117.679  402.811    302.263  429.662    127.759  41.169  17.452  53.457  10.222  -12.28818      20.22550 
1 1 1 -13 -32 65 o 61.565  8.7183  544.683    126.595  1201.85    365.466  455.080    134.950  68.309  20.451  54.217  10.638  14.09253       23.05215 
1 1 1 -13 -31 1  o 45.942  4.4388  262.902    48.865   242.743    71.399   280.663    67.020   43.293  7.0388  46.994  6.0157  -3.700901      9.259213 
1 1 1 -13 -31 2  o 28.222  5.7865  102.806    38.294   134.438    55.873   74.784     52.589   31.955  7.3582  24.357  7.8360  7.598000       10.74925 
1 1 1 -13 -31 3  o 15.363  5.8559  21.091     30.295   13.313     41.956   29.563     43.790   16.274  6.6662  18.252  7.0204  -1.977903      9.681151 
1 1 1 -13 -31 4  o 24.973  6.1865  80.914     37.293   122.578    53.513   41.572     52.001   30.569  7.3127  20.515  7.7059  10.05439       10.62339 
1 1 1 -13 -31 5  o 36.325  4.8697  165.630    41.841   226.728    62.611   116.326    56.244   42.190  6.3100  29.764  7.7218  12.42564       9.972014 
1 1 1 -13 -31 6  o 47.134  4.3484  275.319    49.170   253.866    73.606   292.608    66.077   44.487  7.0543  48.236  5.7595  -3.748638      9.106858 
1 1 1 -13 -31 7  o 25.922  6.3499  86.930     39.624   96.836     57.596   78.029     54.599   27.400  8.0991  24.994  7.9784  2.406410       11.36882 
1 1 1 -13 -31 8  o 26.079  6.0732  87.678     37.714   93.711     53.268   81.614     53.403   26.952  7.7386  25.416  7.8601  1.536118       11.03026 
1 1 1 -13 -31 9  o 51.362  4.2797  325.664    52.851   316.469    77.538   333.643    72.229   50.057  6.5403  51.608  5.8726  -1.551132      8.789908 
1 1 1 -13 -31 10 o 82.038  3.8660  823.289    76.954   794.207    112.749  848.651    105.293  79.950  5.8527  82.841  5.2656  -2.891113      7.872822 
1 1 1 -13 -31 11 o 74.791  4.4365  687.994    80.151   750.455    103.571  594.739    126.552  77.842  5.5193  68.549  7.7444  9.292679       9.509916 
1 1 1 -13 -31 12 o 23.733  8.2220  64.588     57.743   -25.7173   115.016  95.020     66.768   23.318  10.313  27.636  8.8229  -4.318293      13.57178 
1 1 1 -13 -31 13 o 48.250  6.7355  293.707    76.706   273.781    138.835  302.462    92.027   45.125  12.330  48.589  8.0901  -3.464157      14.74679 
1 1 1 -13 -31 14 o 99.888  5.6635  1231.96    136.701  1245.05    219.794  1223.70    174.572  99.006  9.2568  98.978  7.3209  0.2849579E-01  11.80186 
1 1 1 -13 -31 15 o 26.716  8.5837  87.716     63.120   87.880     119.869  87.653     74.247   30.398  11.634  27.312  9.3293  3.086149       14.91232 
1 1 1 -13 -31 16 o 50.536  6.6836  320.834    79.945   195.281    139.543  382.178    97.539   39.142  12.778  55.005  7.5040  -15.86345      14.81874 
1 1 1 -13 -31 17 o 80.160  4.4620  788.302    86.442   788.957    111.115  787.298    137.577  79.898  5.7704  79.406  7.2194  0.4922943      9.242132 
1 1 1 -13 -31 18 o 53.037  6.4006  351.618    80.704   351.618    80.704   0.0000     0.0000   53.037  6.4006  ?       ?       0.000000       6.400577 
1 1 1 -13 -31 19 o 123.009 5.8679  1860.58    175.140  1860.58    175.140  0.0000     0.0000   123.009 5.8679  ?       ?       0.000000       5.867933 
1 1 1 -13 -31 20 f 40.242  4.4153  200.274    42.405   289.044    70.984   151.015    52.877   48.068  6.2329  34.446  6.5662  13.62153       9.053359 
1 1 1 -13 -31 21 o 13.389  5.6683  1.4969     31.819   18.115     56.531   -6.2094    38.496   19.035  7.7608  13.977  6.0795  5.058553       9.858482 
1 1 1 -13 -31 22 o 13.769  5.6192  8.6871     29.674   46.683     73.409   1.2662     32.442   23.490  9.0746  13.491  5.7181  9.999888       10.72591 
1 1 1 -13 -31 23 o 13.865  5.6833  8.1194     30.521   62.043     72.469   -3.5075    33.651   24.770  9.1374  13.262  5.7261  11.50772       10.78339 
1 1 1 -13 -31 24 o 45.131  4.2439  250.983    45.928   299.462    89.048   233.414    53.608   48.541  7.8266  43.336  5.2022  5.205460       9.397840 
1 1 1 -13 -31 25 o 128.887 5.5118  2039.41    172.372  1862.28    266.956  2166.06    225.738  121.620 9.1125  132.152 7.0655  -10.53203      11.53076 
1 1 1 -13 -31 26 o 67.212  5.1908  557.155    83.997   450.919    149.537  606.127    101.528  58.769  10.888  69.925  6.0434  -11.15617      12.45242 
1 1 1 -13 -31 27 o 74.902  5.1947  691.342    93.826   869.167    163.623  604.223    114.526  83.128  8.2198  69.583  6.8730  13.54499       10.71461 
1 1 1 -13 -31 28 o 56.938  5.3605  401.455    73.185   465.876    135.461  374.900    86.971   60.150  9.6045  54.691  6.6935  5.459019       11.70678 
1 1 1 -13 -31 29 o 21.781  6.5838  59.128     37.744   0.0000     0.0000   59.128     37.744   ?       ?       21.781  6.5838  0.000000       6.583792 
1 1 1 -13 -31 30 f 95.978  4.7626  1129.10    110.913  0.0000     0.0000   1129.10    110.913  ?       ?       95.978  4.7626  0.000000       4.762617 
1 1 1 -13 -31 31 o 29.889  6.0556  114.086    42.412   0.0000     0.0000   114.086    42.412   ?       ?       29.889  6.0556  0.000000       6.055555 
1 1 1 -13 -31 32 o 21.344  6.2699  57.349     34.613   110.671    80.302   45.182     38.359   29.836  9.6913  19.765  6.7059  10.07095       11.78514 
1 1 1 -13 -31 33 o 64.623  3.6358  511.737    56.778   453.742    91.901   547.541    72.208   60.201  6.3891  66.684  4.4889  -6.482998      7.808377 
1 1 1 -13 -31 34 o 74.317  3.6346  674.943    65.540   718.075    104.832  647.267    83.975   76.047  5.7233  72.429  4.8055  3.617165       7.473258 
1 1 1 -13 -31 35 o 47.460  4.0078  277.737    45.722   292.276    76.138   269.536    57.180   48.028  6.7172  46.505  5.1541  1.523495       8.466743 
1 1 1 -13 -31 36 o 30.043  5.4430  114.763    38.216   57.996     64.076   146.104    47.611   23.450  8.6010  33.853  6.0167  -10.40251      10.49658 
1 1 1 -13 -31 37 o 26.753  5.9209  92.150     37.418   135.296    62.253   67.747     46.819   32.116  8.0145  23.325  7.3820  8.790989       10.89615 
1 1 1 -13 -31 38 o 44.077  4.2857  240.851    45.255   343.068    74.044   179.897    57.178   52.230  5.9487  37.463  6.5274  14.76691       8.831449 
1 1 1 -13 -31 39 o 31.327  5.3701  124.772    39.351   113.207    65.733   131.231    49.126   29.427  8.6393  31.844  6.5757  -2.417145      10.85714 
1 1 1 -13 -31 40 o 20.527  6.3426  52.790     34.782   150.750    60.615   4.7019     42.469   33.894  7.5624  15.552  6.5643  18.34286       10.01399 
1 1 1 -13 -31 41 o 15.925  6.6602  7.8155     43.082   32.073     77.363   -3.0889    51.870   22.324  9.0876  16.405  7.0961  5.919519       11.52997 
1 1 1 -13 -31 42 o 22.492  7.5720  61.265     48.904   105.199    86.929   40.922     59.152   29.115  10.088  21.146  8.1523  7.969597       12.97029 
1 1 1 -13 -31 43 o 32.548  7.5483  139.917    58.455   276.495    96.581   60.961     73.433   45.451  9.0754  24.256  9.1479  21.19453       12.88591 
1 1 1 -13 -31 44 o 24.105  6.3505  75.692     37.662   99.844     67.363   64.709     45.425   27.771  8.8618  22.704  7.2805  5.066626       11.46895 
1 1 1 -13 -31 45 o 51.202  4.3395  325.833    53.406   404.654    94.554   288.908    64.718   56.064  7.1106  47.775  5.6951  8.288918       9.110126 
1 1 1 -13 -31 46 o 32.777  5.6166  137.694    43.062   216.725    78.495   103.670    51.504   40.322  8.2996  27.997  7.4505  12.32437       11.15322 
1 1 1 -13 -31 47 o 27.568  7.5720  100.620    52.202   57.750     81.656   130.252    67.887   24.528  9.5441  31.119  8.6688  -6.591881      12.89330 
1 1 1 -13 -31 48 o 17.353  7.1428  15.445     48.464   163.147    106.102  -23.4950   54.479   34.441  11.136  15.315  6.9108  19.12581       13.10579 
1 1 1 -13 -31 49 o 25.171  7.9451  82.178     54.261   148.833    114.788  62.998     61.576   33.286  11.589  23.376  8.4531  9.910175       14.34433 
1 1 1 -13 -31 50 o 62.203  5.9247  492.174    88.340   615.141    164.189  442.072    104.803  66.596  10.509  58.062  7.6234  8.534065       12.98327 
1 1 1 -13 -31 51 o 30.850  6.1689  124.625    44.563   142.101    91.115   119.130    51.091   32.065  10.314  29.857  7.1473  2.208096       12.54856 
1 1 1 -13 -31 52 f 31.208  6.2387  128.021    45.590   178.485    89.922   110.562    52.891   35.468  10.011  28.619  7.5190  6.848330       12.52041 
1 1 1 -13 -31 53 o 27.033  6.8506  97.969     44.991   48.979     88.888   114.842    52.167   23.976  9.7485  29.130  7.3737  -5.153471      12.22313 
1 1 1 -13 -31 54 o 20.057  6.9376  49.013     41.104   -4.3896    90.366   62.945     46.155   20.735  9.1571  22.169  7.3545  -1.433868      11.74478 
1 1 1 -13 -31 55 o 16.670  6.6473  21.903     40.469   -115.2205  92.359   54.485     45.020   16.321  7.8614  20.972  7.2602  -4.650572      10.70103 
1 1 1 -13 -31 56 o 28.866  8.2121  116.243    60.260   284.240    121.988  62.017     69.306   43.002  11.477  23.284  8.8615  19.71807       14.50014 
1 1 1 -13 -31 57 o 28.550  8.0313  113.902    57.973   -1.8354    124.670  145.833    65.483   23.550  10.555  32.142  8.3287  -8.591402      13.44527 
1 1 1 -13 -31 58 o 40.517  8.3660  230.646    79.522   128.776    134.367  285.562    98.655   30.690  12.152  44.414  9.4451  -13.72404      15.39087 
1 1 1 -13 -31 59 o 19.552  8.1872  23.032     65.218   25.596     144.227  22.373     73.120   25.885  11.493  20.305  8.5943  5.579859       14.35107 
1 1 1 -13 -31 60 o 46.609  8.1794  302.007    89.128   210.181    173.000  335.186    103.991  35.765  13.899  48.378  9.1952  -12.61287      16.66522 
1 1 1 -13 -31 61 o 48.952  6.2334  315.405    72.360   231.740    151.348  340.197    82.386   37.341  13.281  50.429  6.9151  -13.08802      14.97374 
1 1 1 -13 -31 62 o 56.966  5.6085  419.951    76.518   414.988    159.692  421.429    87.177   50.209  13.004  56.496  6.4765  -6.286999      14.52776 
1 1 1 -13 -31 63 o 29.623  10.620  126.459    96.959   362.601    274.662  92.843     103.630  41.528  17.039  27.238  10.708  14.28930       20.12398 
1 1 1 -13 -31 64 o 22.274  9.4702  32.514     89.451   317.154    323.129  8.8909     93.089   38.869  17.233  21.220  9.3361  17.64941       19.59961 
1 1 1 -13 -31 65 o 40.787  10.910  263.330    110.083  0.0000     0.0000   263.330    110.083  ?       ?       40.787  10.910  0.000000       10.91031 
1 1 1 -13 -30 1  o 16.184  6.0349  25.466     31.780   39.634     45.188   11.600     44.704   19.578  7.2165  16.539  6.8392  3.039415       9.942451 
1 1 1 -13 -30 2  o 22.732  6.2759  66.581     35.754   63.125     52.553   69.560     48.785   23.011  7.8489  23.592  7.5428  -0.5813103     10.88573 
1 1 1 -13 -30 3  o 39.568  4.5964  195.280    43.307   210.411    63.424   182.064    59.276   40.519  6.6842  37.612  6.7428  2.906624       9.494398 
1 1 1 -13 -30 4  o 78.046  3.8308  746.279    72.545   733.842    108.020  756.497    97.911   76.688  5.8492  78.095  5.1967  -1.407242      7.824295 
1 1 1 -13 -30 5  o 77.676  3.8473  738.835    72.511   796.182    108.055  691.855    97.801   80.037  5.5993  74.635  5.4379  5.401817       7.805373 
1 1 1 -13 -30 6  o 32.380  5.2670  132.445    39.959   109.910    58.941   151.612    54.359   29.091  8.0681  34.330  6.7664  -5.239376      10.52988 
1 1 1 -13 -30 7  o 66.876  3.9375  549.099    63.611   579.999    93.835   522.823    86.529   68.302  5.7145  64.870  5.5508  3.432053       7.966564 
1 1 1 -13 -30 8  o 59.392  4.0360  433.499    57.817   382.242    85.249   477.158    78.676   55.177  6.4916  62.053  5.2754  -6.876377      8.364878 
1 1 1 -13 -30 9  o 104.828 3.9042  1343.09    99.306   1271.53    144.553  1407.05    136.660  101.354 5.9034  106.973 5.2651  -5.618294      7.910222 
1 1 1 -13 -30 10 o 117.439 3.9847  1685.44    113.545  1676.67    165.235  1693.29    156.292  116.503 5.8640  117.332 5.4898  -0.8290100     8.032666 
1 1 1 -13 -30 11 o 117.682 3.9923  1691.76    113.996  1651.84    165.604  1727.71    157.157  115.666 5.9205  118.571 5.4625  -2.905220      8.055534 
1 1 1 -13 -30 12 o 89.060  3.8464  968.125    83.119   998.045    121.340  941.672    114.091  89.959  5.5866  87.418  5.4053  2.541481       7.773526 
1 1 1 -13 -30 13 o 39.605  7.7571  201.103    71.878   310.174    128.219  151.118    86.799   48.504  11.131  34.233  9.8928  14.27144       14.89145 
1 1 1 -13 -30 14 o 87.613  5.6410  946.098    119.282  796.625    193.363  1037.92    151.555  78.877  10.353  91.443  6.8810  -12.56637      12.43139 
1 1 1 -13 -30 15 o 93.400  7.2515  1084.46    163.051  0.0000     0.0000   1084.46    163.051  ?       ?       93.400  7.2515  0.000000       7.251528 
1 1 1 -13 -30 16 o 19.428  7.9038  19.379     58.474   -76.7842   111.923  55.481     68.578   20.929  9.6200  23.844  8.8703  -2.915462      13.08536 
1 1 1 -13 -30 17 o 49.037  11.863  317.071    139.610  317.071    139.610  0.0000     0.0000   49.037  11.863  ?       ?       0.000000       11.86265 
1 1 1 -13 -30 18 o 55.425  10.639  398.273    137.881  398.273    137.881  0.0000     0.0000   55.425  10.639  ?       ?       0.000000       10.63948 
1 1 1 -13 -30 19 o 72.040  3.6594  633.972    63.755   740.499    102.098  565.883    81.626   77.565  5.4597  67.842  4.9937  9.722282       7.399024 
1 1 1 -13 -30 20 o 178.730 4.4941  3900.65    194.895  3894.52    287.560  3905.86    265.061  177.904 6.6616  178.357 6.1248  -0.4526215     9.049289 
1 1 1 -13 -30 21 o 123.134 3.7479  1847.72    111.978  2311.77    172.158  1507.41    147.426  137.457 5.1617  110.938 5.4768  26.51907       7.525903 
1 1 1 -13 -30 22 o 117.156 3.7123  1672.51    105.529  1971.30    162.535  1454.76    138.753  126.908 5.2783  109.026 5.2450  17.88137       7.441164 
1 1 1 -13 -30 23 o 175.577 4.4562  3763.82    189.843  4132.32    282.720  3461.22    256.193  183.372 6.3542  167.844 6.2907  15.52783       8.941361 
1 1 1 -13 -30 24 o 64.935  3.7828  515.651    59.343   582.511    105.174  484.423    71.878   68.552  6.3969  62.784  4.7535  5.768368       7.969711 
1 1 1 -13 -30 25 o 52.463  4.0160  337.634    50.734   283.960    97.183   357.742    59.483   47.062  8.8350  53.924  4.5898  -6.861862      9.956085 
1 1 1 -13 -30 26 o 28.548  7.3861  104.438    51.552   22.266     116.187  124.581    57.525   26.161  10.939  31.132  7.6662  -4.971060      13.35772 
1 1 1 -13 -30 27 o 23.691  7.6330  67.802     49.885   78.504     116.377  65.393     55.215   29.680  11.437  23.754  8.0455  5.926567       13.98339 
1 1 1 -13 -30 28 o 92.007  6.5723  1047.96    145.758  0.0000     0.0000   1047.96    145.758  ?       ?       92.007  6.5723  0.000000       6.572253 
1 1 1 -13 -30 29 o 88.503  6.5428  970.451    139.508  0.0000     0.0000   970.451    139.508  ?       ?       88.503  6.5428  0.000000       6.542795 
1 1 1 -13 -30 30 o 40.720  5.2852  206.638    50.988   0.0000     0.0000   206.638    50.988   ?       ?       40.720  5.2852  0.000000       5.285212 
1 1 1 -13 -30 31 o 87.902  3.7281  942.736    79.514   1127.12    132.574  839.139    99.372   95.580  5.7431  82.603  4.9813  12.97641       7.602385 
1 1 1 -13 -30 32 o 110.352 3.7586  1486.39    100.639  1460.15    154.028  1505.93    132.940  108.754 5.8587  110.830 4.9435  -2.076996      7.665619 
1 1 1 -13 -30 33 o 106.968 3.7288  1396.98    96.780   1449.97    149.790  1359.01    126.800  108.374 5.7165  105.249 4.9652  3.125877       7.571774 
1 1 1 -13 -30 34 o 94.782  3.6223  1096.81    83.305   1269.54    130.321  977.465    108.327  101.471 5.3115  89.079  5.0324  12.39281       7.316949 
1 1 1 -13 -30 35 o 59.411  3.8375  433.222    55.023   410.755    89.138   447.052    69.938   57.214  6.5384  60.156  4.8323  -2.942024      8.130290 
1 1 1 -13 -30 36 o 61.672  3.8785  467.037    57.743   471.039    91.281   464.367    74.557   61.370  6.2158  61.238  5.0631  0.1315498      8.016892 
1 1 1 -13 -30 37 o 34.492  5.9633  151.282    48.102   137.237    67.259   165.987    68.822   32.369  8.4667  35.637  8.1379  -3.267334      11.74352 
1 1 1 -13 -30 38 o 71.653  3.7607  630.061    65.156   653.106    103.831  615.092    83.683   72.342  5.9686  70.509  4.9223  1.832977       7.736467 
1 1 1 -13 -30 39 o 86.324  3.7939  912.698    79.465   821.943    124.043  975.870    103.490  80.999  6.3627  88.880  4.8168  -7.881401      7.980276 
1 1 1 -13 -30 40 o 23.965  6.2282  74.213     36.549   182.882    63.401   20.126     44.729   37.568  7.2175  17.421  6.9742  20.14751       10.03648 
1 1 1 -13 -30 41 o 23.644  6.3356  72.266     37.083   119.660    63.705   47.976     45.607   30.148  8.3973  20.652  7.2965  9.495819       11.12446 
1 1 1 -13 -30 42 o 14.170  6.2324  -9.2239    41.454   -21.4949   75.290   -3.8856    49.659   18.581  8.2739  16.002  6.9326  2.578630       10.79432 
1 1 1 -13 -30 43 o 58.111  5.6772  424.222    79.027   435.863    127.540  416.967    100.684  57.242  9.5168  56.913  7.4715  0.3295288      12.09932 
1 1 1 -13 -30 44 o 18.659  7.3294  27.991     48.519   10.203     83.058   37.205     59.778   21.387  9.1101  20.853  8.1517  0.5336056      12.22471 
1 1 1 -13 -30 45 o 31.635  5.3592  127.669    39.668   109.318    73.001   135.359    47.254   28.974  9.2230  32.347  6.2468  -3.373461      11.13938 
1 1 1 -13 -30 46 o 43.215  4.8481  234.100    49.959   382.267    89.721   167.516    60.146   54.576  6.9316  35.761  7.1810  18.81503       9.980719 
1 1 1 -13 -30 47 o 66.423  4.1767  546.053    66.972   500.546    116.439  568.549    81.869   62.025  7.9176  67.484  5.0361  -5.459778      9.383539 
1 1 1 -13 -30 48 o 59.045  4.2781  432.628    60.875   467.948    110.130  417.089    73.049   59.967  7.7502  57.632  5.2825  2.334373       9.379286 
1 1 1 -13 -30 49 o 74.307  5.6309  695.134    100.771  718.310    182.485  684.967    120.871  72.304  10.727  73.106  6.8955  -0.8016968     12.75202 
1 1 1 -13 -30 50 f 41.758  6.9016  227.338    67.487   352.734    135.682  186.119    77.792   49.696  11.483  36.981  8.7973  12.71448       14.46553 
1 1 1 -13 -30 51 o 38.973  5.4778  193.929    50.370   97.295     97.469   229.139    58.835   28.479  10.579  42.264  5.8980  -13.78472      12.11187 
1 1 1 -13 -30 52 o 40.864  5.2829  212.655    51.156   241.436    100.895  202.696    59.350   41.323  10.139  39.450  6.4211  1.873272       12.00106 
1 1 1 -13 -30 53 o 24.912  6.8895  82.606     43.045   4.1096     91.348   105.011    48.803   21.462  9.3499  27.964  7.1613  -6.501493      11.77734 
1 1 1 -13 -30 54 o 21.339  7.0339  57.755     42.244   193.051    91.692   21.299     47.596   36.684  10.019  17.613  7.1436  19.07094       12.30459 
1 1 1 -13 -30 55 o 33.142  6.2286  144.919    48.250   288.584    100.840  102.262    54.948   45.160  9.5035  27.365  7.8604  17.79529       12.33300 
1 1 1 -13 -30 56 o 13.865  6.3741  -29.7241   49.161   177.333    110.317  -81.0329   54.915   34.455  11.367  12.353  5.9776  22.10217       12.84303 
1 1 1 -13 -30 57 o 18.452  7.5273  24.439     53.221   -8.0384    119.837  32.418     59.400   23.013  10.329  19.825  8.0015  3.187847       13.06560 
1 1 1 -13 -30 58 o 17.265  7.1890  16.009     49.886   -57.6623   117.989  32.045     55.049   20.811  9.6749  19.307  7.7343  1.504280       12.38635 
1 1 1 -13 -30 59 o 31.747  9.3914  146.197    77.415   227.975    156.036  119.494    89.163   37.163  13.454  29.086  10.209  8.076820       16.88845 
1 1 1 -13 -30 60 o 41.217  8.8835  241.831    86.226   386.224    168.726  190.791    100.314  47.591  13.804  35.463  10.736  12.12751       17.48782 
1 1 1 -13 -30 61 o 58.868  5.5627  446.945    78.514   322.500    160.329  486.204    90.051   43.574  13.643  61.014  6.1673  -17.44038      14.97216 
1 1 1 -13 -30 62 o 44.316  6.4724  260.138    67.545   327.097    151.484  243.523    75.461   44.408  13.137  42.173  7.6564  2.235340       15.20544 
1 1 1 -13 -30 63 o 45.026  10.050  299.170    107.018  380.041    332.553  289.827    113.031  41.816  18.028  43.738  10.731  -1.921574      20.98038 
1 1 1 -13 -30 64 o 36.959  10.611  209.419    100.161  115.491    333.215  218.749    105.018  34.517  16.117  37.583  10.888  -3.065388      19.45009 
1 1 1 -13 -30 65 o 43.657  10.267  289.826    106.929  297.341    346.646  289.036    112.411  37.891  17.231  43.133  10.773  -5.242134      20.32154 
1 1 1 -13 -29 1  o 116.430 4.0267  1663.30    113.758  1641.04    167.306  1682.44    155.138  114.704 6.0325  116.539 5.4863  -1.835518      8.154198 
1 1 1 -13 -29 2  o 85.036  3.8415  885.774    79.262   914.912    117.035  861.086    107.729  85.771  5.6553  83.305  5.3581  2.466805       7.790465 
1 1 1 -13 -29 3  o 57.878  4.0318  412.374    56.267   446.513    83.269   383.686    76.330   59.787  5.8135  55.396  5.7631  4.390854       8.185945 
1 1 1 -13 -29 4  o 149.507 4.3545  2741.08    157.965  2694.68    230.152  2782.40    217.203  147.306 6.4392  149.927 5.9707  -2.621231      8.781340 
1 1 1 -13 -29 5  o 87.297  3.8483  931.794    81.513   900.459    120.686  958.079    110.537  85.186  5.8747  88.092  5.1943  -2.905907      7.841744 
1 1 1 -13 -29 6  o 105.372 3.9398  1357.34    100.732  1370.34    147.383  1345.94    137.992  105.262 5.7928  104.427 5.4650  0.8345490      7.963820 
1 1 1 -13 -29 7  o 204.234 5.0425  5119.46    249.884  5069.65    359.253  5166.15    347.805  201.946 7.3316  204.061 7.0244  -2.114395      10.15360 
1 1 1 -13 -29 8  o 195.867 4.9222  4702.56    233.929  4563.16    336.236  4833.34    325.668  191.809 7.2246  197.658 6.7904  -5.848648      9.914840 
1 1 1 -13 -29 9  o 100.146 3.8449  1223.95    93.429   1090.99    136.431  1341.36    128.209  93.968  6.0152  104.617 5.0507  -10.64880      7.854476 
1 1 1 -13 -29 10 o 166.786 4.5065  3400.60    182.372  3330.93    262.553  3465.54    253.511  164.363 6.5834  167.794 6.2267  -3.430206      9.061582 
1 1 1 -13 -29 11 o 111.181 3.9280  1507.88    105.966  1532.68    153.773  1485.45    146.230  111.617 5.6968  110.069 5.4753  1.547768       7.901425 
1 1 1 -13 -29 12 o 29.680  5.9213  111.863    41.149   122.921    59.647   101.822    56.840   30.923  7.9159  28.276  7.9518  2.647194       11.22022 
1 1 1 -13 -29 13 o 29.479  6.0143  110.441    41.562   95.938     58.949   124.777    58.609   27.618  8.2009  31.167  7.7756  -3.549189      11.30106 
1 1 1 -13 -29 14 o 45.033  5.3188  251.520    56.995   268.258    73.402   226.107    90.446   46.238  6.7408  41.860  9.1594  4.378010       11.37250 
1 1 1 -13 -29 15 o 102.352 5.6152  1286.54    138.920  1241.85    218.409  1316.90    180.030  99.563  9.1430  103.148 7.2390  -3.585144      11.66181 
1 1 1 -13 -29 16 o 27.516  10.925  53.973     108.891  53.973     108.891  0.0000     0.0000   27.516  10.925  ?       ?       0.000000       10.92536 
1 1 1 -13 -29 17 o 60.994  10.295  476.303    146.943  476.303    146.943  0.0000     0.0000   60.994  10.295  ?       ?       0.000000       10.29543 
1 1 1 -13 -29 18 o 79.596  5.6733  779.261    108.854  733.615    172.819  809.281    140.149  76.263  9.5487  80.787  7.2260  -4.524216      11.97462 
1 1 1 -13 -29 19 o 157.033 6.2027  3022.98    236.341  2925.55    351.680  3103.21    319.155  153.143 9.5113  158.236 8.3420  -5.092987      12.65122 
1 1 1 -13 -29 20 o 88.929  3.5441  962.691    76.474   840.021    121.872  1042.36    98.218   82.573  6.1265  92.453  4.3783  -9.880142      7.530119 
1 1 1 -13 -29 21 o 24.583  5.3136  76.692     30.770   108.411    60.766   65.755     35.683   29.225  8.2230  22.805  6.2589  6.420168       10.33402 
1 1 1 -13 -29 22 o 79.221  3.5329  763.960    67.910   676.240    110.402  817.353    86.133   74.024  6.2038  81.757  4.3577  -7.732315      7.581347 
1 1 1 -13 -29 23 f 150.761 4.1016  2770.08    150.042  2946.70    225.329  2629.38    201.111  155.095 5.9876  146.583 5.6544  8.512146       8.235564 
1 1 1 -13 -29 24 o 79.080  3.6913  761.536    70.828   735.312    119.470  775.749    87.952   77.154  6.4406  79.606  4.5726  -2.452278      7.898727 
1 1 1 -13 -29 25 o 43.041  4.5781  228.574    47.077   397.435    92.111   168.870    54.771   56.466  6.8642  36.583  6.4036  19.88300       9.387376 
1 1 1 -13 -29 26 o 22.376  7.2691  59.731     45.178   83.100     78.862   48.315     55.119   27.345  9.6010  21.871  7.9839  5.474564       12.48688 
1 1 1 -13 -29 27 o 89.699  6.5582  993.581    141.748  0.0000     0.0000   993.581    141.748  ?       ?       89.699  6.5582  0.000000       6.558200 
1 1 1 -13 -29 28 o 41.413  7.5340  217.943    72.917   0.0000     0.0000   217.943    72.917   ?       ?       41.413  7.5340  0.000000       7.534024 
1 1 1 -13 -29 29 o 24.343  7.9726  70.711     54.304   0.0000     0.0000   70.711     54.304   ?       ?       24.343  7.9726  0.000000       7.972595 
1 1 1 -13 -29 30 o 24.870  7.4724  77.243     48.728   -29.9473   126.878  95.789     52.775   24.595  10.857  27.429  7.6442  -2.833757      13.27784 
1 1 1 -13 -29 31 o 102.655 3.6616  1284.53    91.205   1282.70    140.614  1285.86    119.832  102.087 5.6995  102.532 4.8167  -0.4453430     7.462191 
1 1 1 -13 -29 32 f 160.370 4.3084  3141.88    167.650  3074.87    249.911  3196.71    226.066  157.949 6.5208  161.321 5.7754  -3.371460      8.710693 
1 1 1 -13 -29 33 o 91.483  3.6344  1020.69    80.674   1277.88    125.536  839.753    105.295  102.111 5.0668  82.577  5.2828  19.53374       7.319869 
1 1 1 -13 -29 34 o 186.382 4.6810  4253.75    211.693  4305.31    313.249  4210.41    287.201  186.489 6.9227  184.686 6.4090  1.802902       9.433891 
1 1 1 -13 -29 35 o 192.460 4.7858  4540.67    223.490  4539.24    330.212  4541.88    303.589  191.239 7.1163  191.636 6.5290  -0.3974609     9.657562 
1 1 1 -13 -29 36 o 108.287 3.8323  1432.80    100.693  1384.82    154.546  1468.19    132.732  105.735 6.0490  109.342 5.0029  -3.606781      7.849799 
1 1 1 -13 -29 37 o 82.688  4.4820  840.606    89.588   827.447    117.655  858.763    138.205  81.617  5.9828  82.826  6.9409  -1.209213      9.163505 
1 1 1 -13 -29 38 o 148.037 4.2330  2685.55    152.049  2636.34    229.501  2724.05    202.990  145.693 6.4920  148.523 5.6327  -2.829819      8.594988 
1 1 1 -13 -29 39 o 58.573  3.9574  422.017    55.914   486.585    90.194   381.715    71.259   62.376  6.0347  55.365  5.3720  7.011017       8.079379 
1 1 1 -13 -29 40 o 84.782  3.6861  879.696    75.828   979.967    121.043  814.926    97.284   88.796  5.6473  81.170  4.9633  7.626213       7.518454 
1 1 1 -13 -29 41 o 104.370 3.8099  1334.77    96.483   1424.61    151.908  1274.02    124.913  106.948 5.8765  101.580 5.0680  5.366974       7.759952 
1 1 1 -13 -29 42 o 40.058  6.5488  205.457    61.451   177.470    102.002  221.402    76.992   36.306  10.789  41.143  8.0003  -4.837006      13.43182 
1 1 1 -13 -29 43 o 19.666  7.4450  36.852     48.755   -56.4592   82.403   87.113     60.477   17.769  8.1990  26.231  8.3994  -8.461927      11.73774 
1 1 1 -13 -29 44 o 68.615  5.5097  588.666    90.957   617.489    144.446  569.727    117.085  68.733  8.8679  66.734  7.3529  1.999252       11.51975 
1 1 1 -13 -29 45 o 41.940  4.6639  219.818    46.658   118.175    81.746   268.931    56.823   30.169  9.7764  46.304  5.1445  -16.13538      11.04736 
1 1 1 -13 -29 46 o 44.926  4.7818  252.348    51.325   343.283    94.354   214.134    61.165   51.362  7.8177  40.865  6.3770  10.49727       10.08870 
1 1 1 -13 -29 47 o 82.062  3.9741  828.491    79.130   911.771    134.378  784.284    97.905   84.844  6.5789  79.330  5.1136  5.514381       8.332476 
1 1 1 -13 -29 48 o 122.387 4.1718  1846.46    123.887  1852.87    198.776  1842.40    158.419  120.852 6.8064  121.622 5.3683  -0.7696075     8.668630 
1 1 1 -13 -29 49 o 47.669  6.4276  291.152    72.448   318.303    140.874  281.390    84.475   47.062  12.226  46.293  7.7978  0.7698479      14.50111 
1 1 1 -13 -29 50 o 29.017  8.2477  112.420    60.812   38.566     121.698  136.998    70.206   26.441  11.134  31.834  8.7966  -5.393291      14.18936 
1 1 1 -13 -29 51 o 32.068  8.2102  138.764    64.158   104.774    127.869  150.201    74.170   30.631  11.937  33.171  8.9905  -2.540230      14.94354 
1 1 1 -13 -29 52 o 61.589  4.4061  472.850    65.409   494.056    119.987  463.884    78.021   60.970  8.3285  60.613  5.3602  0.3561058      9.904317 
1 1 1 -13 -29 53 o 52.076  4.7167  340.706    58.951   363.736    112.135  331.910    69.301   51.453  9.3253  50.998  5.6978  0.4545517      10.92818 
1 1 1 -13 -29 54 o 50.737  4.7934  324.542    58.312   396.444    112.689  298.249    68.145   53.846  8.9386  48.130  5.9628  5.715359       10.74495 
1 1 1 -13 -29 55 o 41.474  5.5125  221.064    54.100   200.574    106.646  228.164    62.777   36.912  11.046  41.757  6.4000  -4.845062      12.76648 
1 1 1 -13 -29 56 o 41.886  6.4568  230.626    63.513   338.133    132.015  198.247    72.449   47.350  11.585  37.968  8.1105  9.382294       14.14215 
1 1 1 -13 -29 57 o 45.555  6.0868  270.738    65.598   156.516    135.659  305.596    74.943   32.972  12.434  48.165  6.5851  -15.19356      14.07002 
1 1 1 -13 -29 58 o 16.478  7.0537  5.7300     50.238   -67.8578   117.218  22.289     55.604   20.447  9.5512  18.540  7.6436  1.906487       12.23316 
1 1 1 -13 -29 59 o 21.916  8.7181  46.562     69.455   214.036    147.543  -1.1159    78.723   36.540  13.101  19.495  8.5812  17.04474       15.66107 
1 1 1 -13 -29 60 o 21.942  8.6767  47.925     68.421   68.998     148.596  42.255     77.079   28.274  12.118  22.196  9.0572  6.078171       15.12879 
1 1 1 -13 -29 61 o 77.632  4.9990  765.580    93.663   888.716    192.293  727.278    107.245  78.278  10.380  74.968  5.9444  3.309814       11.96179 
1 1 1 -13 -29 62 o 26.022  8.0870  92.848     56.452   -69.8016   143.477  122.639    61.405   22.587  10.557  29.586  8.2455  -6.998819      13.39519 
1 1 1 -13 -29 63 o 50.500  9.8712  369.799    116.619  990.154    369.155  301.026    122.913  64.643  20.757  44.191  11.391  20.45192       23.67750 
1 1 1 -13 -29 64 o 13.537  6.6266  -123.0683  73.045   -587.9046  312.886  -96.2737   75.121   23.905  12.019  14.673  7.0729  9.232235       13.94592 
1 1 1 -13 -29 65 o 40.374  10.484  249.525    103.624  128.200    345.546  261.514    108.623  34.638  16.250  41.128  10.761  -6.489887      19.49023 
1 1 1 -13 -28 1  o 85.784  3.8490  900.714    80.116   907.034    118.831  895.447    108.477  85.435  5.7661  85.047  5.2829  0.3881378      7.820242 
1 1 1 -13 -28 2  o 187.819 4.8406  4335.44    220.597  4445.56    319.207  4234.76    305.207  188.895 6.9645  184.462 6.8191  4.433029       9.746965 
1 1 1 -13 -28 3  o 96.675  3.8380  1142.43    90.029   1108.01    132.802  1171.71    122.466  94.580  5.8150  97.469  5.1971  -2.888924      7.798990 
1 1 1 -13 -28 4  o 15.331  5.8888  19.622     30.784   14.019     44.621   24.711     42.525   16.890  6.8915  17.697  6.8871  -0.8070374     9.742931 
1 1 1 -13 -28 5  o 61.168  3.9425  458.867    58.202   507.789    85.987   417.500    79.069   64.025  5.5911  57.986  5.6932  6.039116       7.979548 
1 1 1 -13 -28 6  o 117.854 3.9813  1695.93    113.852  1720.06    165.777  1674.40    156.633  118.273 5.7766  116.758 5.5288  1.514969       7.996077 
1 1 1 -13 -28 7  o 36.544  4.8350  166.212    41.819   163.129    60.626   169.011    57.761   35.702  7.2461  36.452  6.7800  -0.7501945     9.923441 
1 1 1 -13 -28 8  o 54.563  4.0689  365.260    53.481   314.434    78.843   408.580    72.787   50.106  6.6492  57.519  5.2741  -7.412792      8.486953 
1 1 1 -13 -28 9  o 67.418  3.8947  555.992    63.440   529.119    93.235   579.162    86.571   65.403  5.9399  68.590  5.2415  -3.186295      7.921821 
1 1 1 -13 -28 10 o 77.734  3.8048  736.355    71.764   618.818    105.324  838.212    98.047   70.740  6.1987  82.672  4.9098  -11.93148      7.907589 
1 1 1 -13 -28 11 o 108.891 3.9502  1445.03    104.370  1386.02    151.314  1498.59    144.150  106.191 5.8957  110.679 5.3677  -4.487656      7.973152 
1 1 1 -13 -28 12 o 84.646  3.8320  872.775    78.703   857.240    114.679  886.607    108.208  83.497  5.6945  85.001  5.2726  -1.504150      7.760579 
1 1 1 -13 -28 13 o 83.425  3.8503  847.688    77.939   890.435    113.661  809.748    107.079  85.151  5.5312  81.196  5.4669  3.954269       7.776921 
1 1 1 -13 -28 14 o 33.273  4.9150  138.005    38.486   180.259    64.555   114.706    47.936   37.664  7.3274  29.992  6.7501  7.672646       9.962687 
1 1 1 -13 -28 15 o 126.821 5.8204  1967.74    179.105  1967.74    179.105  0.0000     0.0000   126.821 5.8204  ?       ?       0.000000       5.820401 
1 1 1 -13 -28 16 o 107.091 8.6962  1425.77    224.015  1425.77    224.015  0.0000     0.0000   107.091 8.6962  ?       ?       0.000000       8.696168 
1 1 1 -13 -28 17 o 77.185  5.5753  731.842    103.712  912.191    167.468  619.640    132.091  85.662  8.1555  70.532  7.8516  15.13087       11.32082 
1 1 1 -13 -28 18 o 89.948  5.4751  992.097    118.925  956.417    185.197  1017.14    155.139  87.564  8.8375  90.756  7.1016  -3.192513      11.33727 
1 1 1 -13 -28 19 o 30.471  7.3114  118.569    53.366   104.258    116.522  122.368    60.033   31.751  11.606  30.949  7.9517  0.8019085      14.06847 
1 1 1 -13 -28 20 f 20.066  7.2316  41.494     45.010   -3.3745    110.417  50.436     49.292   24.299  10.431  21.573  7.5895  2.725893       12.89987 
1 1 1 -13 -28 21 o 15.380  5.5328  24.232     26.336   -6.7279    55.706   33.144     29.887   16.994  7.3526  17.239  5.9184  -0.2443047     9.438645 
1 1 1 -13 -28 22 o 15.756  5.6790  25.349     27.759   7.3993     58.537   30.556     31.529   18.509  7.7539  17.043  6.0619  1.465960       9.842229 
1 1 1 -13 -28 23 o 86.194  3.5606  904.038    74.468   1039.46    119.666  818.455    95.132   92.095  5.3785  81.772  4.8159  10.32271       7.219543 
1 1 1 -13 -28 24 o 67.354  3.6431  553.729    59.317   790.341    99.591   423.644    73.844   80.298  5.1385  58.671  5.2423  21.62696       7.340689 
1 1 1 -13 -28 25 o 101.812 3.7429  1261.84    92.463   1266.08    147.656  1259.11    118.595  101.536 6.0202  101.589 4.8112  -0.5285645E-01 7.706510 
1 1 1 -13 -28 26 o 124.241 7.4846  1905.32    224.577  0.0000     0.0000   1905.32    224.577  ?       ?       124.241 7.4846  0.000000       7.484621 
1 1 1 -13 -28 27 o 27.714  6.4288  97.893     42.393   0.0000     0.0000   97.893     42.393   ?       ?       27.714  6.4288  0.000000       6.428777 
1 1 1 -13 -28 28 o 87.725  6.5603  949.348    138.629  0.0000     0.0000   949.348    138.629  ?       ?       87.725  6.5603  0.000000       6.560261 
1 1 1 -13 -28 29 o 79.093  5.3122  768.209    101.356  702.610    175.841  800.847    124.033  74.479  9.9812  80.548  6.3990  -6.069008      11.85631 
1 1 1 -13 -28 30 o 112.242 5.3215  1540.95    144.927  1382.08    224.964  1653.67    189.488  105.185 8.8979  115.793 6.7738  -10.60851      11.18285 
1 1 1 -13 -28 31 o 57.102  5.3958  402.571    73.874   306.893    121.933  458.059    92.857   48.573  10.640  60.743  6.3963  -12.16934      12.41465 
1 1 1 -13 -28 32 f 72.622  3.6665  644.254    64.398   676.248    100.562  622.014    83.844   74.068  5.6378  71.163  4.8853  2.905693       7.460013 
1 1 1 -13 -28 33 o 43.583  4.2207  234.004    44.075   339.614    71.461   169.164    55.993   52.310  5.7236  36.536  6.5570  15.77323       8.703670 
1 1 1 -13 -28 34 o 42.249  4.5388  220.674    45.799   195.900    74.148   235.957    58.237   39.024  8.0960  43.491  5.6523  -4.466526      9.873923 
1 1 1 -13 -28 35 o 120.773 3.9091  1780.49    114.553  1707.29    174.312  1836.13    151.979  117.588 6.1307  122.378 5.1182  -4.790604      7.986296 
1 1 1 -13 -28 36 o 57.940  3.9517  411.909    55.224   403.396    88.762   417.284    70.538   56.777  6.5640  58.113  5.0528  -1.336029      8.283505 
1 1 1 -13 -28 37 o 16.743  6.2545  26.433     34.165   -42.5461   57.310   64.463     42.553   14.875  6.8546  22.772  7.0121  -7.896510      9.805879 
1 1 1 -13 -28 38 o 96.544  3.7123  1138.71    86.962   1299.11    136.256  1028.47    112.960  102.555 5.4956  91.328  5.1181  11.22681       7.509768 
1 1 1 -13 -28 39 o 184.031 4.7007  4158.69    209.902  4168.76    313.032  4150.48    282.935  182.884 7.0542  182.930 6.3744  -0.4585266E-01 9.507607 
1 1 1 -13 -28 40 o 80.851  3.6919  799.458    72.428   824.020    115.915  783.726    92.765   81.375  5.9110  79.688  4.8204  1.687592       7.627307 
1 1 1 -13 -28 41 o 53.853  4.0303  357.408    52.282   308.613    89.198   382.946    64.529   48.975  7.7653  55.570  4.8339  -6.595921      9.146932 
1 1 1 -13 -28 42 o 10.860  5.0215  -24.9306   31.142   -22.3389   56.353   -26.0700   37.365   15.829  7.0954  12.135  5.5706  3.694545       9.020863 
1 1 1 -13 -28 43 o 16.703  6.8122  14.743     43.577   -57.5846   78.648   46.784     52.346   17.241  7.9745  21.150  7.7714  -3.908949      11.13497 
1 1 1 -13 -28 44 o 64.153  5.5771  514.710    85.951   526.779    136.880  506.854    110.438  63.369  9.1688  62.972  7.3671  0.3969383      11.76182 
1 1 1 -13 -28 45 o 19.374  6.6651  43.560     37.913   71.183     85.757   36.849     42.268   26.157  9.8807  18.935  6.9795  7.222551       12.09719 
1 1 1 -13 -28 46 o 15.515  6.2720  14.242     36.560   -29.3506   75.678   27.513     41.756   18.173  8.1781  17.762  6.8490  0.4109764      10.66722 
1 1 1 -13 -28 47 o 55.664  4.3933  384.319    58.855   365.846    105.158  392.745    71.020   52.773  8.5011  56.004  5.2890  -3.230343      10.01208 
1 1 1 -13 -28 48 o 65.579  4.1814  531.830    66.188   549.732    116.726  523.346    80.356   65.355  7.4964  64.734  5.1587  0.6207962      9.099898 
1 1 1 -13 -28 49 o 18.446  7.2164  28.189     46.876   -46.3642   79.976   67.206     57.856   17.824  8.1704  23.710  8.2292  -5.886093      11.59632 
1 1 1 -13 -28 50 o 70.226  5.7563  621.208    97.224   466.204    173.560  692.091    117.367  56.724  12.901  73.714  6.6329  -16.98999      14.50652 
1 1 1 -13 -28 51 o 86.001  5.6234  930.084    116.700  1170.16    209.503  822.077    140.520  93.752  9.3338  79.853  7.3344  13.89946       11.87068 
1 1 1 -13 -28 52 o 55.439  4.5306  383.698    60.412   301.164    110.304  419.063    72.204   46.576  10.055  57.697  5.2139  -11.12032      11.32630 
1 1 1 -13 -28 53 o 35.029  5.9705  158.935    48.927   49.780     98.267   194.913    56.417   25.028  10.221  38.786  6.2038  -13.75735      11.95672 
1 1 1 -13 -28 54 o 26.692  7.0839  95.234     46.641   93.078     96.539   95.891     53.270   27.903  10.496  26.738  7.7567  1.165625       13.05109 
1 1 1 -13 -28 55 o 46.934  5.0738  279.531    56.861   378.372    112.374  245.515    65.923   52.375  9.1771  43.368  6.4621  9.006813       11.22395 
1 1 1 -13 -28 56 o 57.811  4.6251  420.598    64.335   475.223    123.529  400.267    75.362   58.798  8.9401  55.909  5.6320  2.889507       10.56624 
1 1 1 -13 -28 57 o 38.329  7.2441  197.726    64.903   266.688    136.252  177.486    73.815   41.225  12.520  35.597  8.6346  5.627792       15.20856 
1 1 1 -13 -28 58 o 22.369  8.2264  59.274     58.672   110.409    127.729  45.598     66.054   29.815  11.834  21.635  8.5349  8.179234       14.59102 
1 1 1 -13 -28 59 o 39.216  9.0220  218.596    84.062   298.550    165.692  190.883    97.548   42.078  13.933  35.806  10.528  6.272461       17.46356 
1 1 1 -13 -28 60 o 19.104  8.3239  3.3596     72.428   270.777    147.814  -81.1319   83.086   40.698  13.142  16.310  7.7466  24.38756       15.25514 
1 1 1 -13 -28 61 o 60.095  5.8297  466.692    83.937   356.143    195.225  491.762    92.969   44.700  15.128  61.370  6.3345  -16.67025      16.40114 
1 1 1 -13 -28 62 o 63.948  5.4908  524.296    84.372   624.592    175.378  494.093    96.241   64.395  11.653  61.373  6.5645  3.021984       13.37496 
1 1 1 -13 -28 63 o 78.798  7.5954  832.738    143.424  377.653    373.668  911.367    155.321  42.388  18.675  82.155  7.8887  -39.76662      20.27310 
1 1 1 -13 -28 64 o 26.799  10.255  90.347     93.147   100.323    333.663  89.503     97.003   34.899  16.239  26.902  10.421  7.997370       19.29527 
1 1 1 -13 -28 65 o 32.690  10.712  162.229    98.027   192.296    343.209  159.558    102.288  36.336  16.755  32.398  10.951  3.937302       20.01584 
1 1 1 -13 -27 1  o 119.358 3.9772  1742.19    115.183  1794.38    167.990  1695.88    158.235  120.616 5.7400  117.318 5.5587  3.297348       7.990453 
1 1 1 -13 -27 2  o 35.052  5.0604  153.824    41.793   153.394    65.804   154.114    54.106   34.386  8.0321  34.733  6.6623  -0.3472900     10.43556 
1 1 1 -13 -27 3  o 111.494 3.9108  1517.94    105.800  1523.14    155.489  1513.46    144.375  111.113 5.7873  111.014 5.3598  0.9941864E-01  7.887983 
1 1 1 -13 -27 4  o 74.907  3.7870  686.271    68.607   708.938    101.702  667.342    92.939   75.787  5.5696  73.592  5.2390  2.195129       7.646365 
1 1 1 -13 -27 5  o 82.935  3.7848  838.776    76.162   795.164    112.109  876.156    103.791  80.274  5.7947  84.439  5.0896  -4.165939      7.712531 
1 1 1 -13 -27 6  o 41.996  4.4897  217.807    45.041   152.715    66.100   274.229    61.540   34.440  8.0537  46.997  5.5007  -12.55687      9.752975 
1 1 1 -13 -27 7  o 71.596  3.8452  626.492    66.555   584.500    98.332   661.992    90.412   68.788  5.9500  73.400  5.1083  -4.612839      7.842016 
1 1 1 -13 -27 8  o 138.724 4.1538  2346.28    139.819  2173.13    202.030  2505.46    193.701  133.092 6.2560  143.070 5.5798  -9.977188      8.382843 
1 1 1 -13 -27 9  o 57.811  4.0516  409.221    56.473   386.048    83.159   429.054    76.933   55.780  6.2518  58.991  5.4360  -3.210991      8.284648 
1 1 1 -13 -27 10 o 26.613  6.2513  90.230     39.680   89.658     58.002   90.733     54.403   26.878  8.1698  26.882  7.8504  -0.3559113E-02 11.33025 
1 1 1 -13 -27 11 o 14.404  5.9656  6.5455     34.089   -33.7362   48.224   46.777     48.194   13.863  6.3509  21.028  7.4930  -7.164824      9.822371 
1 1 1 -13 -27 12 o 138.414 4.1341  2333.62    138.845  2354.16    200.024  2314.52    192.883  138.727 5.9423  137.585 5.7778  1.142151       8.288174 
1 1 1 -13 -27 13 o 126.706 3.8308  1954.24    117.774  2037.92    177.766  1888.77    157.234  129.135 5.6734  124.391 5.2095  4.744324       7.702314 
1 1 1 -13 -27 14 o 51.117  6.3373  324.573    76.916   324.573    76.916   0.0000     0.0000   51.117  6.3373  ?       ?       0.000000       6.337273 
1 1 1 -13 -27 15 o 61.786  5.9841  470.988    88.588   470.988    88.588   0.0000     0.0000   61.786  5.9841  ?       ?       0.000000       5.984105 
1 1 1 -13 -27 16 o 199.266 4.7950  4840.80    231.836  4748.84    339.170  4921.45    317.622  196.792 7.1030  200.502 6.5287  -3.709885      9.647649 
1 1 1 -13 -27 17 o 119.541 5.6231  1745.20    163.103  1768.21    250.173  1728.20    215.104  119.481 8.6888  118.419 7.5253  1.062080       11.49457 
1 1 1 -13 -27 18 o 94.223  5.3391  1086.89    121.563  1428.08    196.051  873.779    154.945  107.602 7.5570  84.013  7.6861  23.58881       10.77891 
1 1 1 -13 -27 19 o 122.022 5.5271  1817.82    163.645  2011.77    252.399  1677.16    214.944  127.636 8.1931  116.633 7.6374  11.00267       11.20074 
1 1 1 -13 -27 20 o 85.255  5.3077  890.310    109.253  1163.09    177.486  723.894    138.629  97.049  7.5978  76.432  7.5748  20.61744       10.72868 
1 1 1 -13 -27 21 o 120.497 5.5286  1772.64    161.641  1932.69    250.294  1658.14    211.711  125.066 8.2951  115.985 7.5642  9.080582       11.22607 
1 1 1 -13 -27 22 o 87.410  3.5753  929.404    75.828   1106.03    121.858  817.793    96.867   95.058  5.3044  81.753  4.9059  13.30459       7.225309 
1 1 1 -13 -27 23 o 108.403 3.6675  1429.69    96.467   1705.69    150.344  1236.54    125.772  118.232 5.2406  100.545 5.1729  17.68776       7.363635 
1 1 1 -13 -27 24 o 191.520 4.6316  4470.27    215.234  4894.76    317.356  4108.72    292.888  199.957 6.5410  183.187 6.5893  16.76971       9.284634 
1 1 1 -13 -27 25 o 61.416  4.7020  462.455    69.538   0.0000     0.0000   462.455    69.538   ?       ?       61.416  4.7020  0.000000       4.702016 
1 1 1 -13 -27 26 o 48.485  4.9803  289.724    57.758   0.0000     0.0000   289.724    57.758   ?       ?       48.485  4.9803  0.000000       4.980327 
1 1 1 -13 -27 27 o 121.429 5.0769  1799.30    149.585  0.0000     0.0000   1799.30    149.585  ?       ?       121.429 5.0769  0.000000       5.076944 
1 1 1 -13 -27 28 o 123.600 5.4857  1866.44    164.519  2255.58    265.561  1624.07    209.582  135.077 8.1405  114.695 7.5735  20.38227       11.11876 
1 1 1 -13 -27 29 o 12.636  5.8062  -30.2104   40.725   -131.4161  77.498   8.3997     47.867   14.485  7.0312  16.967  7.0517  -2.482616      9.958105 
1 1 1 -13 -27 30 o 26.956  7.8911  91.188     54.911   85.298     87.578   95.003     70.486   28.206  10.095  28.067  9.0764  0.1389313      13.57568 
1 1 1 -13 -27 31 o 56.254  5.8504  391.499    78.687   425.552    126.546  370.033    100.472  57.875  9.3285  54.246  7.8625  3.629513       12.19998 
1 1 1 -13 -27 32 o 130.834 3.9152  2085.79    124.292  2279.07    187.390  1933.97    166.083  136.437 5.6604  125.727 5.4442  10.71072       7.853658 
1 1 1 -13 -27 33 o 64.340  3.7993  506.189    59.050   572.412    92.146   460.041    76.921   68.134  5.6241  61.103  5.2389  7.030624       7.686068 
1 1 1 -13 -27 34 o 48.474  4.2251  288.892    49.198   257.030    77.371   310.520    63.745   45.083  7.3244  50.083  5.3274  -4.999630      9.056918 
1 1 1 -13 -27 35 o 80.465  3.7195  789.387    72.620   763.977    113.906  806.789    94.261   78.626  6.0162  81.073  4.8133  -2.447174      7.704723 
1 1 1 -13 -27 36 o 67.699  3.8454  561.007    62.907   520.857    98.451   588.709    81.778   64.721  6.3510  69.168  4.9044  -4.446938      8.024249 
1 1 1 -13 -27 37 o 107.234 3.7847  1403.54    98.476   1397.56    152.640  1407.81    128.886  106.381 5.9371  107.167 4.9566  -0.7860107     7.734159 
1 1 1 -13 -27 38 o 38.976  4.6704  188.725    43.289   184.255    72.366   191.216    54.019   37.717  8.1458  38.973  5.8967  -1.256760      10.05604 
1 1 1 -13 -27 39 o 118.053 3.8908  1703.61    111.450  1721.53    172.258  1690.71    146.164  117.903 6.0416  117.278 5.1364  0.6243744      7.929930 
1 1 1 -13 -27 40 o 15.095  5.9371  16.558     31.875   91.489     59.300   -13.8880   37.800   26.901  8.2767  13.159  5.8610  13.74160       10.14173 
1 1 1 -13 -27 41 o 71.861  3.7607  633.396    65.346   729.789    107.023  576.099    82.513   76.599  5.8013  68.230  5.0193  8.368378       7.671287 
1 1 1 -13 -27 42 o 49.880  4.1721  307.223    50.031   422.420    84.706   245.507    62.001   58.029  6.1077  44.125  5.9420  13.90362       8.521199 
1 1 1 -13 -27 43 o 34.584  7.1962  155.315    58.422   252.433    97.928   101.650    72.794   43.541  9.5334  28.399  9.2273  15.14264       13.26755 
1 1 1 -13 -27 44 o 14.314  6.2801  -8.6118    41.861   -66.0468   76.572   15.870     49.993   16.574  7.7346  17.752  7.2748  -1.178415      10.61823 
1 1 1 -13 -27 45 f 29.702  7.8140  115.983    57.072   133.806    93.755   105.491    71.937   32.109  10.474  28.684  9.1581  3.425074       13.91292 
1 1 1 -13 -27 46 o 50.960  4.2880  321.789    52.528   282.155    90.572   341.876    64.480   46.361  8.3590  52.304  5.1474  -5.942818      9.816787 
1 1 1 -13 -27 47 o 102.520 4.0512  1292.17    100.775  1344.94    165.870  1261.30    126.876  103.251 6.6563  100.730 5.2089  2.521179       8.452134 
1 1 1 -13 -27 48 o 68.270  4.1939  575.881    69.136   732.244    123.768  504.963    83.353   75.965  6.7862  63.506  5.4624  12.45842       8.711557 
1 1 1 -13 -27 49 o 130.107 4.2659  2086.46    134.672  2290.48    215.809  1956.34    172.348  134.854 6.5954  125.231 5.6719  9.623230       8.698837 
1 1 1 -13 -27 50 o 22.547  7.9543  59.100     54.180   67.183     116.163  56.852     61.251   27.874  11.211  22.852  8.4051  5.021450       14.01168 
1 1 1 -13 -27 51 o 66.256  6.0060  555.398    95.505   513.961    175.744  572.764    113.770  59.891  12.498  66.742  7.1359  -6.851509      14.39148 
1 1 1 -13 -27 52 o 78.651  4.1978  766.454    79.821   971.048    142.757  673.396    96.278   87.140  6.8058  73.178  5.4617  13.96203       8.726288 
1 1 1 -13 -27 53 o 37.285  5.7934  178.687    50.711   84.556     104.323  207.810    58.027   27.916  10.808  40.130  6.1558  -12.21465      12.43851 
1 1 1 -13 -27 54 o 42.407  5.3176  228.838    53.514   269.608    105.797  214.821    62.035   43.729  10.164  40.609  6.5162  3.120716       12.07348 
1 1 1 -13 -27 55 o 56.232  4.7059  397.276    63.618   496.971    126.805  363.742    73.543   60.485  8.9069  53.329  5.7758  7.156216       10.61569 
1 1 1 -13 -27 56 o 18.796  6.9891  37.683     42.565   -128.1407  98.793   75.483     47.168   16.785  8.0960  23.910  7.3858  -7.125446      10.95877 
1 1 1 -13 -27 57 o 30.755  7.9107  130.026    59.369   96.171     135.394  138.084    66.058   29.574  12.029  31.512  8.4611  -1.937748      14.70648 
1 1 1 -13 -27 58 f 71.434  5.0516  646.833    86.993   612.777    178.290  657.474    99.662   63.748  11.966  71.547  5.7904  -7.798809      13.29330 
1 1 1 -13 -27 59 f 35.626  13.981  191.873    176.401  191.873    176.401  0.0000     0.0000   35.626  13.981  ?       ?       0.000000       13.98148 
1 1 1 -13 -27 60 o 49.911  8.5312  344.307    99.604   593.853    206.556  268.699    113.696  59.682  14.424  42.283  10.983  17.39889       18.12956 
1 1 1 -13 -27 61 o 14.859  6.7185  -20.4620   51.788   -346.5723  150.388  23.412     55.161   17.162  8.5875  18.626  7.6383  -1.464363      11.49299 
1 1 1 -13 -27 62 o 69.978  6.9083  644.554    115.769  676.670    382.465  641.314    121.467  52.436  20.584  69.478  7.3151  -17.04176      21.84561 
1 1 1 -13 -27 63 o 55.764  8.9902  433.901    117.508  300.531    350.145  450.828    124.742  40.759  18.011  56.504  9.4310  -15.74507      20.33105 
1 1 1 -13 -27 64 o 31.433  10.792  144.059    99.373   390.216    367.805  124.676    103.211  42.570  18.648  29.887  10.923  12.68332       21.61118 
1 1 1 -13 -27 65 o 24.900  10.273  59.137     100.537  -330.7201  342.502  95.896     105.170  27.896  13.789  27.587  10.805  0.3095875      17.51806 
1 1 1 -13 -26 1  o 95.843  3.7845  1121.15    88.009   1134.59    128.766  1109.36    120.565  95.930  5.5558  94.934  5.2545  0.9958420      7.646990 
1 1 1 -13 -26 2  o 80.930  3.7480  798.894    73.600   885.075    107.734  723.472    100.786  84.805  5.2616  76.598  5.4584  8.206917       7.581460 
1 1 1 -13 -26 3  o 90.123  3.7472  990.234    81.942   1009.20    119.555  973.430    112.531  90.573  5.4657  88.999  5.2341  1.574196       7.567649 
1 1 1 -13 -26 4  o 53.002  3.9617  344.411    50.581   319.352    74.424   365.922    68.954   50.634  6.1863  54.426  5.2882  -3.792435      8.138523 
1 1 1 -13 -26 5  o 107.421 3.8849  1406.20    101.260  1351.87    147.836  1454.21    138.980  104.877 5.8325  109.040 5.2529  -4.162613      7.849283 
1 1 1 -13 -26 6  o 125.565 4.0132  1921.20    122.272  1887.23    178.020  1951.55    168.232  124.134 5.9104  126.313 5.4890  -2.179359      8.066096 
1 1 1 -13 -26 7  f 206.962 5.0474  5230.16    253.466  5180.37    363.423  5277.32    353.687  205.256 7.2971  207.266 7.0328  -2.010300      10.13450 
1 1 1 -13 -26 8  o 82.182  3.8014  822.217    75.802   787.583    111.176  852.305    103.623  80.051  5.7623  83.397  5.1460  -3.345314      7.725605 
1 1 1 -13 -26 9  o 16.751  6.2330  26.231     33.865   -11.3797   47.715   64.406     48.072   15.308  6.7107  23.218  7.4943  -7.909927      10.05969 
1 1 1 -13 -26 10 o 238.445 5.5093  6943.56    318.749  6903.33    454.962  6982.35    446.710  236.925 7.9141  238.354 7.7240  -1.428528      11.05857 
1 1 1 -13 -26 11 o 132.835 3.8749  2147.50    124.894  2268.10    188.274  2052.72    166.904  136.265 5.6943  129.692 5.3038  6.572998       7.781737 
1 1 1 -13 -26 12 o 67.695  3.5957  558.992    58.850   711.548    94.286   461.627    75.324   76.209  5.1287  61.312  5.1097  14.89687       7.239663 
1 1 1 -13 -26 13 o 86.482  5.6372  916.935    117.644  916.935    117.644  0.0000     0.0000   86.482  5.6372  ?       ?       0.000000       5.637153 
1 1 1 -13 -26 14 o 116.907 5.7096  1668.68    161.960  1668.68    161.960  0.0000     0.0000   116.907 5.7096  ?       ?       0.000000       5.709608 
1 1 1 -13 -26 15 o 73.252  4.7998  656.636    84.839   888.856    176.697  587.062    96.717   84.545  8.7396  69.097  5.8230  15.44823       10.50182 
1 1 1 -13 -26 16 o 44.604  4.0508  244.096    43.362   250.282    72.843   240.701    53.966   44.703  6.9407  44.138  5.1349  0.5648651      8.633674 
1 1 1 -13 -26 17 o 106.612 3.6191  1382.33    93.621   1529.82    145.816  1278.90    122.114  111.990 5.3662  102.439 4.9129  9.550682       7.275445 
1 1 1 -13 -26 18 o 84.448  5.2582  872.986    107.210  770.169    175.734  933.939    135.306  78.494  9.4147  87.168  6.4430  -8.674004      11.40827 
1 1 1 -13 -26 19 o 82.584  5.3575  835.281    106.775  1093.36    175.231  682.866    134.662  94.100  7.7433  74.253  7.5805  19.84647       10.83621 
1 1 1 -13 -26 20 o 83.559  5.3119  854.909    107.139  855.998    177.081  854.280    134.562  82.923  8.9426  83.301  6.7145  -0.3781967     11.18278 
1 1 1 -13 -26 21 o 78.697  5.3669  758.861    101.870  716.867    169.690  782.523    127.377  75.684  9.4460  79.714  6.6461  -4.029785      11.54983 
1 1 1 -13 -26 22 o 121.236 5.5010  1793.34    161.821  1859.41    248.090  1744.41    213.486  122.717 8.3819  119.071 7.4263  3.646667       11.19851 
1 1 1 -13 -26 23 o 48.683  3.9109  290.212    45.808   333.482    81.879   270.499    55.266   51.794  6.6702  46.855  4.9354  4.939381       8.297541 
1 1 1 -13 -26 24 o 66.035  4.5403  533.612    72.307   0.0000     0.0000   533.612    72.307   ?       ?       66.035  4.5403  0.000000       4.540331 
1 1 1 -13 -26 25 o 114.739 7.2482  1619.75    200.755  0.0000     0.0000   1619.75    200.755  ?       ?       114.739 7.2482  0.000000       7.248200 
1 1 1 -13 -26 26 o 75.761  4.6738  702.005    85.498   0.0000     0.0000   702.005    85.498   ?       ?       75.761  4.6738  0.000000       4.673788 
1 1 1 -13 -26 27 o 66.713  3.9188  543.497    63.157   724.535    114.236  463.801    75.794   76.737  6.1878  61.455  5.1298  15.28239       8.037665 
1 1 1 -13 -26 28 o 134.278 3.9593  2194.67    129.000  2199.64    193.898  2190.72    172.790  134.153 5.9567  133.981 5.3151  0.1713409      7.983284 
1 1 1 -13 -26 29 o 231.486 7.7067  6584.96    432.868  6003.37    634.210  7092.17    592.274  218.757 11.994  239.088 10.209  -20.33113      15.75084 
1 1 1 -13 -26 30 o 19.459  7.7190  25.077     54.308   110.759    87.102   -29.4168   69.463   30.537  10.102  17.653  7.8976  12.88411       12.82259 
1 1 1 -13 -26 31 o 85.131  5.2660  888.370    108.243  802.221    170.658  946.354    140.008  80.091  8.9339  87.619  6.6348  -7.527504      11.12809 
1 1 1 -13 -26 32 o 200.287 6.9642  4926.44    338.447  4775.66    502.464  5051.67    457.906  195.362 10.640  201.838 9.3500  -6.475998      14.16441 
1 1 1 -13 -26 33 o 117.808 3.8198  1690.42    109.188  1790.68    165.910  1613.82    145.020  120.968 5.6525  114.914 5.2010  6.053360       7.681245 
1 1 1 -13 -26 34 o 98.109  3.7917  1172.70    90.263   995.538    138.352  1303.99    119.101  89.830  6.3891  103.332 4.7503  -13.50175      7.961527 
1 1 1 -13 -26 35 o 57.646  3.8142  406.778    53.049   495.106    86.614   353.753    67.108   63.307  5.6998  53.516  5.2351  9.790485       7.739106 
1 1 1 -13 -26 36 o 86.475  3.6800  911.514    77.216   896.096    121.284  922.023    100.130  85.231  5.9010  86.704  4.7779  -1.473541      7.592777 
1 1 1 -13 -26 37 o 85.402  3.6943  889.468    76.553   905.897    121.907  878.772    98.367   85.649  5.9020  84.602  4.8117  1.047142       7.614910 
1 1 1 -13 -26 38 o 89.631  3.7064  980.246    80.606   974.754    127.158  983.935    104.222  88.794  5.9361  89.498  4.8171  -0.7033997     7.644758 
1 1 1 -13 -26 39 o 73.688  4.5676  667.531    81.265   672.363    108.027  661.231    123.341  73.580  6.1059  72.675  7.0846  0.9043045      9.352747 
1 1 1 -13 -26 40 o 72.964  3.7836  652.214    66.755   704.377    107.290  619.266    85.270   75.319  5.9184  70.835  4.9931  4.484116       7.743269 
1 1 1 -13 -26 41 o 37.998  4.6950  179.858    42.367   128.985    73.848   204.817    51.726   31.517  9.1299  40.426  5.4088  -8.909668      10.61180 
1 1 1 -13 -26 42 o 35.424  4.9517  157.292    41.398   193.113    73.369   140.561    50.143   38.490  8.1117  33.094  6.4763  5.395966       10.37993 
1 1 1 -13 -26 43 o 27.536  7.6674  98.307     53.120   106.756    89.759   93.753     65.900   29.692  10.253  27.324  8.7698  2.367548       13.49201 
1 1 1 -13 -26 44 o 35.592  7.1690  164.249    59.772   89.650     102.964  202.165    73.407   28.954  10.850  39.343  7.9629  -10.38875      13.45820 
1 1 1 -13 -26 45 o 25.603  7.7137  84.030     51.873   -37.3821   89.226   146.017    63.755   19.582  8.8396  33.303  7.9918  -13.72058      11.91667 
1 1 1 -13 -26 46 o 38.976  4.7809  190.124    44.265   160.837    79.248   203.404    53.366   34.688  9.2471  40.104  5.6400  -5.416195      10.83138 
1 1 1 -13 -26 47 o 41.597  5.0708  217.092    50.121   299.774    97.153   187.105    58.508   47.684  8.7181  38.149  6.5572  9.535793       10.90880 
1 1 1 -13 -26 48 o 47.887  4.7910  286.006    54.921   386.914    103.890  246.869    64.701   54.555  8.0938  44.033  6.2297  10.52239       10.21361 
1 1 1 -13 -26 49 o 109.755 4.1337  1482.41    110.085  1538.33    181.231  1449.72    138.581  110.295 6.8052  108.053 5.2857  2.241295       8.616770 
1 1 1 -13 -26 50 o 35.646  7.6416  167.581    64.108   49.695     129.924  205.520    73.706   27.915  11.611  39.447  7.9748  -11.53180      14.08584 
1 1 1 -13 -26 51 o 48.304  6.4624  298.658    73.845   329.467    139.213  286.595    87.110   48.120  11.972  46.691  7.9754  1.429020       14.38522 
1 1 1 -13 -26 52 o 75.904  4.2582  713.819    78.109   812.743    139.880  668.998    94.155   79.443  7.3396  73.036  5.3503  6.406761       9.082659 
1 1 1 -13 -26 53 o 73.469  4.3641  670.604    77.448   864.122    141.662  588.104    92.496   81.855  7.2060  68.248  5.6360  13.60720       9.148290 
1 1 1 -13 -26 54 o 77.605  4.3525  749.056    81.627   862.738    146.241  697.611    98.378   81.419  7.4864  74.344  5.4925  7.074226       9.285155 
1 1 1 -13 -26 55 f 41.437  5.7332  220.471    56.099   367.525    114.581  174.106    64.338   51.605  9.5009  36.013  7.6015  15.59114       12.16755 
1 1 1 -13 -26 56 o 30.253  6.8834  122.304    49.390   47.667     109.229  141.486    55.374   25.501  10.630  32.464  7.2168  -6.962915      12.84810 
1 1 1 -13 -26 57 o 39.800  7.0572  210.807    65.658   126.678    147.853  231.472    73.279   31.931  12.714  41.496  7.5564  -9.564926      14.79026 
1 1 1 -13 -26 58 o 26.356  9.6231  87.711     80.080   210.031    142.870  31.678     96.697   36.940  12.925  23.348  9.8829  13.59157       16.27066 
1 1 1 -13 -26 59 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -13 -26 60 o 27.896  9.9732  103.650    85.447   0.0000     0.0000   103.650    85.447   ?       ?       27.896  9.9732  0.000000       9.973227 
1 1 1 -13 -26 61 o 42.361  7.0639  239.608    70.049   286.390    167.504  229.692    77.117   41.577  14.014  40.920  8.0536  0.6563988      16.16296 
1 1 1 -13 -26 62 o 44.585  6.3823  260.617    67.074   245.006    164.403  263.734    73.466   38.971  13.844  44.513  7.0359  -5.541199      15.52962 
1 1 1 -13 -26 63 o 30.822  8.3524  132.567    64.023   209.956    165.128  118.876    69.455   36.667  13.740  29.159  8.9551  7.508352       16.40056 
1 1 1 -13 -26 64 o 27.517  10.844  89.695     106.537  309.713    300.634  58.096     113.931  40.814  17.357  25.935  10.837  14.87905       20.46272 
1 1 1 -13 -26 65 o 39.250  11.260  238.572    112.821  580.297    278.086  171.243    123.436  51.931  18.040  33.469  11.985  18.46170       21.65843 
1 1 1 -13 -25 1  o 82.287  3.7360  825.463    74.594   829.666    108.999  821.761    102.303  82.086  5.5044  81.760  5.1836  0.3256912      7.560987 
1 1 1 -13 -25 2  o 32.898  4.9298  135.171    38.140   161.700    54.147   109.046    53.732   35.739  6.4827  29.177  7.5366  6.562475       9.941132 
1 1 1 -13 -25 3  o 50.238  4.0279  309.576    48.687   258.691    71.160   354.361    66.758   45.427  6.6531  53.591  5.1993  -8.164021      8.443764 
1 1 1 -13 -25 4  o 75.799  3.7249  699.594    68.508   670.452    100.931  724.490    93.288   73.813  5.6790  76.860  5.0300  -3.046486      7.586303 
1 1 1 -13 -25 5  o 125.980 3.9982  1932.99    122.215  1877.81    177.435  1982.81    168.582  123.885 5.9028  127.380 5.4544  -3.494987      8.036965 
1 1 1 -13 -25 6  o 147.026 4.2155  2633.19    150.387  2438.88    216.968  2812.87    208.636  141.138 6.3356  151.712 5.6677  -10.57368      8.500742 
1 1 1 -13 -25 7  o 15.191  6.0506  14.373     33.493   -22.1906   47.574   50.304     47.161   14.503  6.5089  21.370  7.4290  -6.866601      9.877018 
1 1 1 -13 -25 8  o 53.859  4.0876  355.151    53.020   303.592    77.278   401.004    72.877   49.374  6.6170  57.082  5.3232  -7.707874      8.492411 
1 1 1 -13 -25 9  o 147.458 4.8678  2650.39    174.165  2533.26    219.243  2850.74    286.737  143.940 6.2774  152.182 7.7914  -8.242691      10.00558 
1 1 1 -13 -25 10 o 126.519 3.8221  1947.45    117.335  1989.71    177.063  1914.36    156.675  127.664 5.7160  125.297 5.1534  2.367393       7.696177 
1 1 1 -13 -25 11 o 152.150 4.0954  2817.33    151.195  2931.05    225.047  2723.77    204.124  154.915 5.9871  149.394 5.6311  5.520889       8.219177 
1 1 1 -13 -25 12 o 209.287 7.2035  5364.36    365.803  5364.36    365.803  0.0000     0.0000   209.287 7.2035  ?       ?       0.000000       7.203473 
1 1 1 -13 -25 13 o 305.692 9.3804  11516.17   695.772  11516.17   695.772  0.0000     0.0000   305.692 9.3804  ?       ?       0.000000       9.380360 
1 1 1 -13 -25 14 o 235.951 5.2553  6787.26    300.870  7248.98    436.704  6370.07    415.107  243.265 7.3985  228.010 7.5031  15.25505       10.53731 
1 1 1 -13 -25 15 o 71.229  3.6126  618.516    62.232   719.978    98.626   551.395    80.218   76.662  5.3353  67.090  4.9629  9.571823       7.286748 
1 1 1 -13 -25 16 o 104.770 3.5982  1334.68    91.472   1358.23    141.562  1317.80    119.854  105.382 5.5559  104.019 4.7487  1.363632       7.308787 
1 1 1 -13 -25 17 o 117.737 3.6801  1685.67    105.133  2045.57    161.075  1418.56    138.768  129.557 5.1240  107.872 5.3017  21.68522       7.373137 
1 1 1 -13 -25 18 o 264.651 5.7156  8544.95    367.026  9386.36    530.610  7773.07    508.219  276.672 7.9040  251.630 8.3238  25.04236       11.47865 
1 1 1 -13 -25 19 o 288.004 8.7731  10195.77   613.076  11098.64   881.711  9350.66    853.042  298.696 12.166  273.781 12.841  24.91492       17.68885 
1 1 1 -13 -25 20 o 278.578 8.5127  9532.17    575.409  10706.95   828.708  8438.54    799.575  293.689 11.629  260.180 12.665  33.50891       17.19454 
1 1 1 -13 -25 21 o 128.152 5.5219  2002.89    171.703  2437.15    260.807  1670.69    228.113  140.822 7.6616  116.416 8.1266  24.40649       11.16878 
1 1 1 -13 -25 22 o 111.536 5.3493  1516.73    144.769  1794.23    224.788  1320.06    189.240  120.753 7.7123  103.527 7.5863  17.22562       10.81808 
1 1 1 -13 -25 23 o 62.465  4.5370  477.561    68.296   0.0000     0.0000   477.561    68.296   ?       ?       62.465  4.5370  0.000000       4.537000 
1 1 1 -13 -25 24 o 218.653 6.9617  5849.78    369.345  0.0000     0.0000   5849.78    369.345  ?       ?       218.653 6.9617  0.000000       6.961653 
1 1 1 -13 -25 25 o 286.837 8.6110  10113.99   599.311  0.0000     0.0000   10113.99   599.311  ?       ?       286.837 8.6110  0.000000       8.610993 
1 1 1 -13 -25 26 o 198.147 4.6783  4782.27    224.924  5674.82    331.741  4022.89    305.996  215.489 6.3447  181.300 6.9559  34.18839       9.414871 
1 1 1 -13 -25 27 o 149.118 4.1325  2706.26    149.521  2664.41    221.556  2741.26    202.620  147.671 6.1834  149.885 5.5713  -2.214203      8.323095 
1 1 1 -13 -25 28 o 119.951 3.7982  1750.40    110.546  1874.34    167.161  1654.06    147.373  123.930 5.5589  116.462 5.2152  7.468994       7.622346 
1 1 1 -13 -25 29 o 147.742 4.1451  2657.13    148.594  2563.12    220.894  2734.84    200.823  144.787 6.2877  149.690 5.5291  -4.902756      8.372954 
1 1 1 -13 -25 30 o 45.264  6.7942  256.327    72.317   192.632    116.627  296.116    92.177   38.985  11.525  48.445  8.1297  -9.459385      14.10413 
1 1 1 -13 -25 31 o 20.013  7.8818  28.194     56.247   -20.1756   86.261   63.971     74.187   20.527  9.0102  25.272  9.2570  -4.745226      12.91805 
1 1 1 -13 -25 32 o 152.012 6.0740  2826.96    224.037  2572.98    338.852  3024.21    298.621  143.767 9.7718  156.591 7.8846  -12.82454      12.55607 
1 1 1 -13 -25 33 o 123.912 3.8982  1869.64    117.203  1871.31    177.437  1868.36    156.104  123.672 5.9130  123.692 5.2013  -0.2030945E-01 7.875095 
1 1 1 -13 -25 34 o 88.232  3.6914  947.837    79.028   875.469    124.004  997.332    102.552  84.323  6.1019  90.287  4.6974  -5.963272      7.700607 
1 1 1 -13 -25 35 o 44.051  4.3419  238.950    45.805   192.066    75.657   266.078    57.551   38.696  8.3062  46.367  5.2052  -7.671059      9.802463 
1 1 1 -13 -25 36 o 35.649  4.7980  158.031    40.449   148.559    69.086   162.971    49.895   33.960  8.4248  35.997  5.9181  -2.037720      10.29568 
1 1 1 -13 -25 37 o 81.928  3.6938  818.159    73.428   808.265    116.262  824.726    94.707   80.915  5.9637  81.990  4.7813  -1.074776      7.643748 
1 1 1 -13 -25 38 o 69.019  3.7398  582.672    62.395   617.477    101.229  561.347    79.236   70.624  5.9631  67.547  4.8671  3.076378       7.697199 
1 1 1 -13 -25 39 o 64.792  4.7386  516.755    73.979   424.068    98.039   639.325    112.740  58.107  7.1012  71.667  6.5559  -13.55936      9.664770 
1 1 1 -13 -25 40 o 68.685  3.8636  578.073    64.128   464.572    103.626  648.520    81.639   60.777  7.1646  72.605  4.6587  -11.82885      8.546047 
1 1 1 -13 -25 41 f 30.156  5.5056  115.368    38.800   113.774    68.935   116.107    46.941   29.789  8.8736  30.041  6.6185  -0.2520504     11.06998 
1 1 1 -13 -25 42 o 78.605  3.7696  755.489    71.897   823.422    116.912  714.174    91.175   81.385  5.9619  76.053  4.9681  5.331825       7.760594 
1 1 1 -13 -25 43 o 40.847  4.5836  207.432    44.646   296.094    78.080   164.364    54.419   48.290  6.8564  35.843  6.4966  12.44690       9.445386 
1 1 1 -13 -25 44 o 54.574  5.8392  373.156    76.123   398.616    121.018  356.487    97.922   55.139  9.3813  52.646  7.9102  2.492878       12.27108 
1 1 1 -13 -25 45 o 30.897  7.5629  124.924    56.240   34.781     94.512   174.341    69.977   24.353  9.9937  36.432  8.1232  -12.07892      12.87873 
1 1 1 -13 -25 46 o 48.340  4.2795  289.403    49.677   329.186    85.098   268.838    61.184   50.736  7.1077  46.250  5.5637  4.485798       9.026333 
1 1 1 -13 -25 47 o 57.430  4.4571  408.441    61.623   404.401    110.696  410.255    74.180   55.733  8.4508  57.290  5.4001  -1.556568      10.02879 
1 1 1 -13 -25 48 o 53.364  4.6270  353.710    59.318   266.314    108.712  390.762    70.784   44.273  10.312  55.919  5.2793  -11.64634      11.58468 
1 1 1 -13 -25 49 o 57.155  4.4583  404.991    61.340   323.233    113.375  438.828    72.937   49.002  9.8765  59.312  5.1181  -10.31014      11.12390 
1 1 1 -13 -25 50 o 51.740  6.3492  340.304    78.037   308.081    150.236  352.211    91.323   46.391  12.886  52.235  7.4134  -5.843227      14.86652 
1 1 1 -13 -25 51 o 57.415  6.1761  417.852    84.688   326.687    160.759  452.871    99.634   47.344  13.394  59.427  7.0471  -12.08311      15.13442 
1 1 1 -13 -25 52 o 29.023  8.2518  112.025    60.863   241.142    128.457  74.650     69.113   41.126  12.078  25.157  8.9721  15.96844       15.04597 
1 1 1 -13 -25 53 o 64.904  4.4548  523.921    69.730   500.596    129.514  533.443    82.747   61.229  8.9849  65.175  5.2778  -3.946022      10.42032 
1 1 1 -13 -25 54 o 34.489  6.3848  155.103    51.464   302.673    105.438  108.951    58.965   46.915  9.5862  28.501  8.1286  18.41352       12.56862 
1 1 1 -13 -25 55 o 83.629  4.3528  870.213    88.021   916.837    156.074  848.467    106.589  83.627  7.7809  82.037  5.3847  1.590935       9.462405 
1 1 1 -13 -25 56 o 81.104  4.4096  820.501    86.450   891.512    158.667  790.520    103.097  82.004  8.0792  79.063  5.4066  2.940979       9.721325 
1 1 1 -13 -25 57 o 25.027  8.1281  82.418     56.487   17.520     139.312  95.186     61.794   26.065  11.445  26.644  8.4861  -0.5788174     14.24821 
1 1 1 -13 -25 58 o 56.389  7.6729  424.770    102.257  521.798    165.427  364.770    130.086  59.048  11.956  49.832  11.049  9.215897       16.27950 
1 1 1 -13 -25 59 f 23.175  8.8512  59.130     69.300   70.708     143.318  55.597     79.171   28.557  12.057  23.596  9.3327  4.960800       15.24656 
1 1 1 -13 -25 60 o 56.489  7.9647  430.692    106.139  660.930    211.691  353.376    122.673  64.108  14.001  49.232  10.584  14.87580       17.55139 
1 1 1 -13 -25 61 o 14.338  6.5868  -31.0877   52.376   68.522     160.012  -43.0407   55.430   29.285  12.564  14.170  6.6021  15.11452       14.19266 
1 1 1 -13 -25 62 o 30.275  8.6302  127.705    66.484   -11.1838   155.759  158.647    73.518   25.819  11.665  33.581  8.8849  -7.761961      14.66335 
1 1 1 -13 -25 63 o 44.978  6.9991  268.788    73.900   -18.5000   193.655  317.754    79.950   27.824  12.739  49.016  6.9143  -21.19200      14.49485 
1 1 1 -13 -25 64 o 35.915  11.429  195.380    112.102  201.236    295.455  194.395    121.162  37.617  16.588  35.680  11.919  1.937222       20.42607 
1 1 1 -13 -25 65 o 54.659  9.8377  430.998    125.674  482.287    299.591  420.046    138.444  46.740  18.255  52.745  11.166  -6.004383      21.39913 
1 1 1 -13 -24 1  o 54.888  5.2819  371.745    69.476   397.039    91.632   337.542    106.556  56.436  6.8306  51.492  8.8473  4.943874       11.17728 
1 1 1 -13 -24 2  o 79.042  4.0634  763.204    77.667   636.371    130.400  832.936    96.689   71.498  7.6346  82.466  4.8535  -10.96808      9.046714 
1 1 1 -13 -24 3  o 123.058 3.9526  1844.02    118.021  1807.56    171.603  1876.74    162.576  121.572 5.8174  123.944 5.4059  -2.372192      7.941375 
1 1 1 -13 -24 4  o 145.065 4.1896  2563.00    147.467  2599.22    213.344  2529.85    204.066  145.784 6.0312  143.860 5.8461  1.923676       8.399556 
1 1 1 -13 -24 5  o 179.613 4.6266  3931.37    201.632  3764.42    289.757  4088.11    280.757  175.303 6.8121  182.804 6.3297  -7.501236      9.298888 
1 1 1 -13 -24 6  o 144.147 4.1788  2529.55    146.156  2361.64    210.594  2685.57    203.006  138.985 6.2447  148.316 5.6410  -9.330170      8.415339 
1 1 1 -13 -24 7  o 12.164  5.3482  -8.3949    30.506   -30.7789   43.016   14.252     43.268   13.069  5.9913  16.812  6.8138  -3.743092      9.073245 
1 1 1 -13 -24 8  o 92.455  5.2098  1045.44    116.397  1067.35    211.727  1035.95    139.344  92.557  9.5657  91.864  6.2893  0.6927109      11.44799 
1 1 1 -13 -24 9  o 112.420 3.7145  1537.04    101.323  1440.08    153.815  1611.36    134.671  108.463 5.8664  115.009 4.8259  -6.546280      7.596255 
1 1 1 -13 -24 10 o 164.989 4.2979  3313.09    172.059  3193.69    254.286  3413.91    233.675  161.661 6.4827  167.269 5.7575  -5.608398      8.670278 
1 1 1 -13 -24 11 o 330.337 9.9972  13463.33   801.308  13463.33   801.308  0.0000     0.0000   330.337 9.9972  ?       ?       0.000000       9.997197 
1 1 1 -13 -24 12 o 175.959 6.5283  3782.99    278.724  3782.99    278.724  0.0000     0.0000   175.959 6.5283  ?       ?       0.000000       6.528295 
1 1 1 -13 -24 13 f 94.981  3.5528  1096.74    81.879   1231.90    125.817  997.453    107.839  100.414 5.1816  90.359  4.9373  10.05496       7.157256 
1 1 1 -13 -24 14 o 129.380 3.8660  2035.76    121.365  1970.17    181.974  2088.32    162.880  127.073 5.9019  130.919 5.1275  -3.845573      7.818114 
1 1 1 -13 -24 15 o 62.876  3.5342  482.102    53.700   577.991    89.732   428.599    67.028   68.648  5.4315  59.146  4.7096  9.502003       7.188978 
1 1 1 -13 -24 16 o 212.620 4.8918  5505.67    252.367  6010.83    368.105  5057.65    346.661  221.754 6.8413  203.372 7.0251  18.38243       9.805840 
1 1 1 -13 -24 17 o 58.213  3.5841  413.518    50.379   318.427    85.085   464.852    62.515   50.540  7.1369  61.671  4.2028  -11.13107      8.282478 
1 1 1 -13 -24 18 o 192.280 4.6546  4500.96    217.159  4586.00    318.343  4426.96    296.986  193.715 6.7728  190.395 6.4286  3.319794       9.337976 
1 1 1 -13 -24 19 o 195.687 4.6839  4662.04    222.399  4890.14    325.702  4462.79    304.414  200.049 6.7100  191.137 6.5638  8.911575       9.386538 
1 1 1 -13 -24 20 o 53.760  5.7069  356.370    73.306   379.384    128.097  345.164    89.390   54.661  10.028  52.648  7.1851  2.012745       12.33628 
1 1 1 -13 -24 21 o 224.783 7.3004  6182.48    398.174  6725.33    576.992  5688.91    550.172  233.510 10.184  214.631 10.564  18.87895       14.67347 
1 1 1 -13 -24 22 o 68.205  6.6894  573.783    109.281  0.0000     0.0000   573.783    109.281  ?       ?       68.205  6.6894  0.000000       6.689412 
1 1 1 -13 -24 23 o 122.045 7.3320  1829.23    216.117  0.0000     0.0000   1829.23    216.117  ?       ?       122.045 7.3320  0.000000       7.332019 
1 1 1 -13 -24 24 o 91.313  4.6350  1017.73    102.358  0.0000     0.0000   1017.73    102.358  ?       ?       91.313  4.6350  0.000000       4.635047 
1 1 1 -13 -24 25 o 173.865 4.3811  3679.11    184.827  4047.50    273.924  3371.22    250.423  182.072 6.2004  166.165 6.2111  15.90759       8.776299 
1 1 1 -13 -24 26 o 309.258 6.4700  11685.15   485.497  12654.49   698.600  10779.68   675.192  320.791 8.9752  295.881 9.4047  24.90976       13.00008 
1 1 1 -13 -24 27 o 147.873 4.1087  2660.57    147.420  2641.66    218.552  2676.35    199.691  147.087 6.1237  148.133 5.5557  -1.046707      8.268385 
1 1 1 -13 -24 28 o 107.218 3.7618  1398.14    97.865   1297.24    147.706  1477.09    130.660  102.917 5.9401  110.109 4.8905  -7.191856      7.694314 
1 1 1 -13 -24 29 f 79.616  3.7030  770.929    71.534   867.346    110.678  701.754    93.747   84.153  5.4496  75.702  5.1341  8.451172       7.487127 
1 1 1 -13 -24 30 o 33.032  8.1696  139.287    65.114   30.836     100.416  217.975    85.534   25.320  10.336  41.325  8.8001  -16.00463      13.57443 
1 1 1 -13 -24 31 o 149.170 5.9477  2718.37    215.273  2632.82    326.624  2784.08    286.242  145.803 9.2808  150.373 7.8725  -4.570557      12.16999 
1 1 1 -13 -24 32 o 180.284 6.4836  3977.56    283.621  4030.66    426.032  3935.30    380.089  180.245 9.7778  178.685 8.7666  1.559555       13.13240 
1 1 1 -13 -24 33 o 135.822 5.7140  2254.20    188.310  2225.64    291.481  2274.66    246.705  133.961 9.0199  135.885 7.5116  -1.923935      11.73811 
1 1 1 -13 -24 34 o 116.211 3.8258  1644.12    107.877  1596.32    164.356  1680.31    142.990  114.076 5.9585  117.336 5.0224  -3.259468      7.792786 
1 1 1 -13 -24 35 f 86.982  3.6206  921.010    76.415   1239.39    119.906  703.275    99.159   100.760 4.9044  75.657  5.4378  25.10336       7.322777 
1 1 1 -13 -24 36 o 49.996  4.0860  306.703    49.135   297.514    79.448   312.394    62.526   48.725  6.9139  50.288  5.1993  -1.562798      8.650692 
1 1 1 -13 -24 37 o 96.975  3.7396  1145.93    87.992   1162.31    137.766  1134.64    114.357  97.182  5.8699  96.220  4.9146  0.9625702      7.655654 
1 1 1 -13 -24 38 o 26.469  5.8877  89.341     36.836   6.8977     64.577   129.105    44.848   19.259  8.1100  31.916  6.0118  -12.65668      10.09522 
1 1 1 -13 -24 39 o 128.153 4.0318  2005.00    125.371  1916.82    191.828  2070.75    165.643  124.569 6.3678  129.955 5.2531  -5.386162      8.254966 
1 1 1 -13 -24 40 o 71.410  3.7974  624.203    65.562   662.970    105.842  600.068    83.512   73.122  6.0189  69.791  4.9639  3.331360       7.801804 
1 1 1 -13 -24 41 o 18.110  6.3635  35.959     34.647   86.566     62.783   13.799     41.546   26.537  8.5644  16.386  6.6637  10.15162       10.85147 
1 1 1 -13 -24 42 o 80.320  3.7851  788.475    73.767   916.258    119.009  708.749    94.003   85.993  5.7366  75.747  5.1451  10.24551       7.705855 
1 1 1 -13 -24 43 o 103.799 3.8878  1318.28    97.917   1295.99    154.140  1333.36    126.784  102.056 6.2548  104.097 5.0195  -2.041840      8.019872 
1 1 1 -13 -24 44 o 59.328  5.8218  439.755    82.728   331.865    128.280  516.576    108.245  49.673  10.939  63.921  7.0991  -14.24795      13.04072 
1 1 1 -13 -24 45 o 66.646  5.6591  553.831    90.647   535.382    144.236  565.875    116.538  63.958  9.5898  66.783  7.3113  -2.824242      12.05899 
1 1 1 -13 -24 46 o 27.289  7.8592  96.552     54.867   95.670     93.290   97.019     67.840   28.827  10.408  27.700  8.8988  1.126648       13.69333 
1 1 1 -13 -24 47 o 87.420  4.0563  938.210    86.040   909.128    144.970  954.026    106.905  84.760  7.1148  87.736  5.0430  -2.975990      8.720767 
1 1 1 -13 -24 48 o 56.994  4.4117  402.115    60.535   316.468    108.681  440.638    72.889   48.739  9.5314  59.484  5.0994  -10.74465      10.80978 
1 1 1 -13 -24 49 o 13.292  6.0099  -20.8382   41.440   -47.3822   85.731   -12.7454   47.337   18.618  8.5062  14.949  6.6134  3.668893       10.77463 
1 1 1 -13 -24 50 o 46.367  6.9456  276.270    75.736   254.343    143.704  284.703    89.118   42.451  12.850  46.610  8.1782  -4.158619      15.23158 
1 1 1 -13 -24 51 o 59.299  6.2147  445.134    88.092   313.046    172.663  491.615    102.425  46.251  14.104  62.049  6.9210  -15.79772      15.71077 
1 1 1 -13 -24 52 o 42.859  7.1496  238.712    71.732   243.856    144.573  237.032    82.618   41.277  12.960  42.228  8.3590  -0.9513283     15.42221 
1 1 1 -13 -24 53 o 39.660  5.7175  200.684    53.430   108.735    105.854  232.119    61.893   30.013  11.048  42.544  6.1762  -12.53133      12.65701 
1 1 1 -13 -24 54 o 52.862  4.8565  350.395    61.596   345.843    119.549  352.040    71.869   49.948  10.209  52.664  5.7160  -2.716541      11.70030 
1 1 1 -13 -24 55 o 59.828  4.7330  448.213    68.147   551.968    128.794  407.871    80.310   64.400  8.4459  56.550  5.9418  7.849972       10.32655 
1 1 1 -13 -24 56 o 50.428  5.1556  321.820    62.196   428.469    122.240  284.567    72.247   55.911  9.3400  46.806  6.5400  9.104904       11.40204 
1 1 1 -13 -24 57 o 42.230  7.0886  235.984    70.060   251.796    154.005  231.858    78.673   40.320  13.437  41.337  8.1334  -1.016865      15.70674 
1 1 1 -13 -24 58 f 37.165  7.4454  186.010    64.800   170.409    149.104  189.643    71.951   34.608  13.039  37.180  8.1962  -2.571812      15.40108 
1 1 1 -13 -24 59 o 60.051  5.5704  460.979    80.241   661.102    175.385  408.001    90.239   67.471  11.099  55.776  6.8092  11.69464       13.02128 
1 1 1 -13 -24 60 o 34.516  9.9827  171.604    88.352   307.317    180.239  128.679    101.366  42.939  14.536  30.571  10.870  12.36797       18.15086 
1 1 1 -13 -24 61 o 13.876  6.6303  -74.4725   62.754   9.5115     159.257  -89.9095   68.278   26.879  11.997  14.094  6.7815  12.78522       13.78066 
1 1 1 -13 -24 62 o 44.316  7.1498  261.165    74.264   318.412    168.151  247.293    82.774   44.163  13.991  42.461  8.3316  1.701614       16.28413 
1 1 1 -13 -24 63 o 33.184  8.6187  153.871    70.017   66.266     157.838  175.334    78.125   29.132  12.487  35.232  9.0813  -6.100252      15.44044 
1 1 1 -13 -24 64 o 53.691  10.050  413.385    126.120  270.145    312.791  441.194    137.820  40.120  17.390  54.935  10.724  -14.81538      20.43099 
1 1 1 -13 -24 65 o 34.006  11.450  174.844    111.820  63.299     303.540  192.358    120.278  33.736  15.626  35.323  11.875  -1.587055      19.62622 
1 1 1 -13 -23 1  o 44.392  5.5751  244.533    58.726   204.926    77.023   299.527    90.759   40.077  8.1971  48.722  7.9514  -8.645576      11.42009 
1 1 1 -13 -23 2  o 59.284  5.2437  432.251    74.652   409.116    98.989   462.763    113.677  57.296  7.2850  60.863  7.8828  -3.567368      10.73360 
1 1 1 -13 -23 3  o 125.704 5.5866  1929.24    170.395  1858.66    233.553  2009.57    249.153  122.756 7.8828  127.607 8.0887  -4.850883      11.29453 
1 1 1 -13 -23 4  o 215.346 5.8432  5663.07    305.316  5227.88    526.911  5883.04    374.616  205.111 10.624  219.164 7.0445  -14.05283      12.74709 
1 1 1 -13 -23 5  o 91.339  3.7215  1014.73    82.478   950.106    120.171  1072.28    113.405  88.059  5.6541  93.665  5.0080  -5.606712      7.553095 
1 1 1 -13 -23 6  f 103.274 4.3259  1298.23    108.401  1219.53    137.468  1427.63    176.273  99.815  5.6996  107.835 6.7713  -8.020622      8.850767 
1 1 1 -13 -23 7  o 44.918  3.8664  247.203    41.729   185.699    67.209   285.785    53.231   38.294  7.5017  48.230  4.6046  -9.936592      8.802127 
1 1 1 -13 -23 8  o 173.929 4.4484  3682.14    187.733  3437.33    276.603  3891.22    255.624  167.682 6.7984  178.577 5.8995  -10.89563      9.001225 
1 1 1 -13 -23 9  o 339.867 7.1323  14129.26   588.167  13844.56   843.262  14398.98   820.780  334.898 10.377  341.804 9.8966  -6.905457      14.33987 
1 1 1 -13 -23 10 o 133.434 5.8244  2171.73    188.573  2171.73    188.573  0.0000     0.0000   133.434 5.8244  ?       ?       0.000000       5.824384 
1 1 1 -13 -23 11 o 170.471 6.4168  3548.40    265.417  3548.40    265.417  0.0000     0.0000   170.471 6.4168  ?       ?       0.000000       6.416752 
1 1 1 -13 -23 12 o 49.154  3.8212  295.556    45.217   295.064    73.613   295.854    57.302   48.757  6.3750  49.052  4.8792  -0.2954178     8.027938 
1 1 1 -13 -23 13 o 72.259  3.5435  634.680    62.127   520.953    97.702   711.884    80.499   65.037  6.2689  76.366  4.3624  -11.32945      7.637387 
1 1 1 -13 -23 14 o 41.407  4.0810  210.548    40.469   212.110    85.121   210.092    46.000   40.799  8.8529  41.283  4.6746  -0.4839172     10.01123 
1 1 1 -13 -23 15 o 152.751 4.0715  2837.86    150.904  3083.12    224.771  2636.60    203.616  159.005 5.8259  147.056 5.7064  11.94919       8.155041 
1 1 1 -13 -23 16 f 75.978  3.4787  701.631    64.131   543.785    103.305  800.606    81.802   66.427  6.4923  81.021  4.1753  -14.59409      7.719002 
1 1 1 -13 -23 17 o 42.184  4.0563  218.412    41.006   294.547    72.676   182.854    49.668   48.731  6.2936  38.351  5.4944  10.37954       8.354489 
1 1 1 -13 -23 18 o 455.285 9.1392  25464.59   1009.61  26655.57   1438.72  24309.09   1417.14  463.045 12.805  441.846 13.218  21.19958       18.40379 
1 1 1 -13 -23 19 o 30.790  4.9005  118.265    35.384   102.723    65.822   124.582    41.962   28.820  8.6905  31.489  5.7021  -2.669073      10.39411 
1 1 1 -13 -23 20 o 74.080  3.5294  667.040    63.439   541.876    103.770  741.737    80.165   66.303  6.5352  77.970  4.2534  -11.66635      7.797441 
1 1 1 -13 -23 21 o 160.264 8.2671  3156.43    320.383  0.0000     0.0000   3156.43    320.383  ?       ?       160.264 8.2671  0.000000       8.267074 
1 1 1 -13 -23 22 o 45.084  7.3476  254.889    77.608   0.0000     0.0000   254.889    77.608   ?       ?       45.084  7.3476  0.000000       7.347625 
1 1 1 -13 -23 23 o 67.599  6.7114  563.596    108.628  0.0000     0.0000   563.596    108.628  ?       ?       67.599  6.7114  0.000000       6.711424 
1 1 1 -13 -23 24 f 55.474  5.6109  378.939    74.486   376.763    127.760  380.060    91.679   54.480  10.035  55.334  6.9838  -0.8544693     12.22568 
1 1 1 -13 -23 25 o 155.613 4.1194  2945.60    155.539  3152.19    230.786  2773.67    210.537  160.751 5.9169  150.814 5.7534  9.937927       8.252926 
1 1 1 -13 -23 26 o 130.858 3.8414  2082.31    121.969  2215.83    182.584  1974.72    163.904  134.813 5.5817  127.297 5.3065  7.515862       7.701580 
1 1 1 -13 -23 27 o 310.604 6.6078  11786.71   497.999  12020.33   716.100  11567.91   693.021  312.530 9.4432  306.652 9.3140  5.878937       13.26364 
1 1 1 -13 -23 28 o 172.993 4.4899  3642.76    188.466  3383.93    277.416  3864.60    256.834  166.364 6.8724  177.960 5.9479  -11.59607      9.088867 
1 1 1 -13 -23 29 o 43.405  4.5166  231.810    46.871   228.538    73.230   234.081    61.003   42.619  7.3468  43.399  5.9498  -0.7800598     9.453877 
1 1 1 -13 -23 30 o 103.766 4.3487  1310.63    109.490  1376.96    142.046  1213.53    171.864  106.109 5.5363  99.314  7.1804  6.794395       9.066908 
1 1 1 -13 -23 31 o 86.002  5.2398  905.118    108.822  929.309    175.988  890.142    138.467  86.556  8.4888  85.040  6.7665  1.515472       10.85566 
1 1 1 -13 -23 32 o 199.024 6.7994  4848.04    328.351  5170.68    490.538  4586.14    441.967  204.544 9.8837  192.788 9.4481  11.75604       13.67316 
1 1 1 -13 -23 33 f 117.265 5.4511  1678.33    155.101  1834.25    243.681  1572.15    201.095  121.843 8.2918  112.982 7.3759  8.860825       11.09769 
1 1 1 -13 -23 34 f 56.317  3.9625  387.988    53.802   341.045    86.511   417.596    68.705   52.294  6.9931  58.314  4.9011  -6.020107      8.539545 
1 1 1 -13 -23 35 o 38.207  4.9674  181.068    44.961   54.761     74.323   253.969    56.464   24.427  9.2053  45.312  5.2318  -20.88522      10.58814 
1 1 1 -13 -23 36 o 155.591 4.3145  2951.23    162.883  3059.21    244.115  2864.58    218.680  157.963 6.3691  152.971 5.8917  4.991882       8.676204 
1 1 1 -13 -23 37 o 139.371 4.1235  2368.13    139.446  2344.07    210.512  2386.94    186.142  138.217 6.2770  139.660 5.4930  -1.442169      8.341067 
1 1 1 -13 -23 38 o 18.202  6.4166  35.755     35.251   -67.8919   61.292   86.986     43.092   14.330  6.7605  26.101  6.7528  -11.77108      9.555314 
1 1 1 -13 -23 39 o 100.469 3.7987  1230.94    92.605   1256.08    144.301  1213.33    120.749  100.954 5.9167  99.434  5.0210  1.520432       7.760058 
1 1 1 -13 -23 40 o 46.518  4.2943  266.658    47.924   258.379    80.723   271.164    59.555   45.043  7.6603  46.717  5.3503  -1.674637      9.343742 
1 1 1 -13 -23 41 o 70.143  3.8202  602.491    64.773   694.920    105.521  546.607    82.050   74.901  5.8526  66.548  5.1207  8.352402       7.776547 
1 1 1 -13 -23 42 o 147.328 4.2607  2656.69    152.311  2681.89    231.742  2637.52    202.090  147.175 6.4894  146.292 5.6933  0.8827820      8.632854 
1 1 1 -13 -23 43 o 87.233  3.8122  930.373    80.689   943.361    129.462  922.123    103.181  87.094  6.1660  86.485  4.9374  0.6097946      7.899269 
1 1 1 -13 -23 44 o 43.040  6.7209  235.661    67.894   328.024    106.741  172.903    87.986   50.127  9.1117  36.137  9.7912  13.99008       13.37503 
1 1 1 -13 -23 45 o 20.845  7.7701  43.110     52.673   97.596     86.218   10.663     66.533   28.699  10.041  19.617  8.2447  9.081928       12.99207 
1 1 1 -13 -23 46 o 24.208  8.0660  71.136     55.496   115.280    90.510   44.542     70.251   30.451  10.301  22.734  8.8507  7.717131       13.58105 
1 1 1 -13 -23 47 o 37.355  5.2794  175.776    46.518   70.725     78.093   233.553    57.914   25.673  9.4825  43.046  5.6839  -17.37209      11.05554 
1 1 1 -13 -23 48 o 32.186  6.3901  133.602    48.145   218.909    89.602   98.976     57.086   40.490  9.3141  27.602  8.0361  12.88784       12.30168 
1 1 1 -13 -23 49 o 39.937  5.4057  201.081    51.038   184.337    96.039   207.672    60.249   36.928  10.319  40.317  6.3705  -3.389053      12.12717 
1 1 1 -13 -23 50 o 32.746  7.4340  140.728    57.717   217.075    93.462   93.661     73.383   40.094  9.7101  27.476  9.2753  12.61823       13.42827 
1 1 1 -13 -23 51 o 49.749  6.8047  316.884    79.986   235.363    151.888  348.166    94.090   40.948  13.330  51.817  7.7191  -10.86932      15.40354 
1 1 1 -13 -23 52 o 65.809  6.0804  546.917    95.994   334.160    180.160  631.265    113.437  47.456  14.393  70.443  6.7182  -22.98723      15.88357 
1 1 1 -13 -23 53 o 64.997  4.4650  524.760    69.990   446.607    128.180  557.960    83.544   57.638  9.4961  66.760  5.1985  -9.121700      10.82586 
1 1 1 -13 -23 54 f 28.396  7.0886  106.835    48.689   155.814    100.184  91.689     55.710   33.703  10.813  26.408  8.0023  7.295141       13.45177 
1 1 1 -13 -23 55 o 37.444  5.9586  180.759    52.322   109.337    105.029  204.335    60.343   29.784  10.998  39.655  6.4964  -9.870649      12.77316 
1 1 1 -13 -23 56 o 41.971  5.6672  225.604    56.238   408.431    114.785  167.855    64.512   54.899  8.9234  35.324  7.7406  19.57565       11.81293 
1 1 1 -13 -23 57 o 62.814  5.2440  499.042    79.194   451.161    161.163  514.284    90.930   54.927  12.388  63.390  5.9826  -8.462963      13.75679 
1 1 1 -13 -23 58 o 37.300  7.6523  187.919    66.934   156.423    155.863  195.040    74.116   34.018  13.200  37.698  8.3252  -3.679573      15.60615 
1 1 1 -13 -23 59 o 54.876  5.9946  388.094    78.521   416.604    159.802  379.020    90.154   51.945  12.769  53.608  7.1061  -1.662945      14.61300 
1 1 1 -13 -23 60 o 35.674  10.084  183.392    91.158   309.713    188.847  145.017    104.088  43.053  14.872  32.039  11.042  11.01409       18.52297 
1 1 1 -13 -23 61 o 25.031  9.5445  71.195     80.497   53.371     172.865  76.130     90.961   29.489  12.854  26.051  10.091  3.437508       16.34169 
1 1 1 -13 -23 62 o 17.959  7.7286  4.7384     60.896   94.479     145.063  -14.4587   67.093   30.058  12.364  17.511  7.8032  12.54679       14.62007 
1 1 1 -13 -23 63 o 19.019  7.9798  17.158     62.152   86.080     148.145  2.4355     68.469   29.688  12.377  18.726  8.1266  10.96132       14.80685 
1 1 1 -13 -23 64 o 42.332  11.638  272.815    123.255  393.646    282.235  244.340    137.010  44.982  17.675  39.478  12.643  5.504486       21.73100 
1 1 1 -13 -23 65 o 55.114  9.9522  437.038    128.192  332.816    324.733  456.278    139.523  41.464  17.846  55.657  10.720  -14.19216      20.81835 
1 1 1 -13 -22 1  o 48.864  5.4183  294.908    63.160   361.769    83.336   204.670    96.815   53.999  6.4903  39.903  10.015  14.09622       11.93415 
1 1 1 -13 -22 2  o 155.107 6.0740  2939.17    228.596  2864.04    315.253  3022.48    331.960  152.361 8.5622  156.464 8.7794  -4.103973      12.26333 
1 1 1 -13 -22 3  o 259.424 8.2770  8265.40    521.009  7915.54    727.893  8632.95    746.079  252.249 11.893  263.555 11.667  -11.30597      16.65971 
1 1 1 -13 -22 4  o 116.413 7.5923  1667.23    213.284  1667.23    213.284  0.0000     0.0000   116.413 7.5923  ?       ?       0.000000       7.592349 
1 1 1 -13 -22 5  f 109.738 4.9230  1466.84    131.085  1540.32    196.315  1407.72    176.093  111.961 7.2657  107.097 6.8118  4.863914       9.959476 
1 1 1 -13 -22 6  o 177.391 4.4685  3829.88    192.334  3726.53    283.371  3918.15    261.898  174.636 6.6874  179.190 6.0236  -4.554108      9.000266 
1 1 1 -13 -22 7  o 53.530  3.6474  349.971    47.092   291.881    74.928   387.901    60.545   48.459  6.5395  56.281  4.4704  -7.822590      7.921415 
1 1 1 -13 -22 8  o 229.462 5.2777  6415.17    293.844  6064.34    426.636  6731.80    405.301  222.513 7.9020  234.648 7.1186  -12.13554      10.63565 
1 1 1 -13 -22 9  o 17.481  6.9415  19.535     43.961   19.535     43.961   0.0000     0.0000   17.481  6.9415  ?       ?       0.000000       6.941509 
1 1 1 -13 -22 10 o 113.005 5.4945  1556.25    150.658  1556.25    150.658  0.0000     0.0000   113.005 5.4945  ?       ?       0.000000       5.494538 
1 1 1 -13 -22 11 o 127.148 3.8144  1965.55    117.680  1947.37    176.160  1980.20    158.143  126.387 5.7444  127.512 5.1113  -1.125359      7.689178 
1 1 1 -13 -22 12 o 164.332 4.2681  3284.99    170.185  3246.97    251.052  3317.31    231.492  163.116 6.3431  164.955 5.7837  -1.838638      8.584082 
1 1 1 -13 -22 13 o 85.708  3.4450  892.738    71.642   1043.67    112.988  791.257    92.647   92.442  5.0565  80.487  4.7652  11.95529       6.948057 
1 1 1 -13 -22 14 o 41.375  3.8410  209.912    38.121   169.033    68.337   228.381    45.932   36.465  7.9479  43.097  4.4568  -6.631767      9.112216 
1 1 1 -13 -22 15 o 69.258  3.4591  582.946    58.129   536.433    95.255   610.547    73.376   66.055  6.0089  70.717  4.2967  -4.661659      7.386986 
1 1 1 -13 -22 16 o 5.4667  2.7198  -35.9730   14.175   -149.3651  45.753   -23.9331   14.909   8.9198  4.4988  6.4907  3.1342  2.429042       5.482944 
1 1 1 -13 -22 17 o 156.148 4.1010  2965.21    155.380  3370.04    230.979  2630.59    209.998  166.276 5.7250  146.886 5.8921  19.39059       8.215425 
1 1 1 -13 -22 18 o 161.923 5.9824  3197.26    235.045  3749.38    347.585  2732.07    319.052  174.957 8.1878  148.971 8.8667  25.98627       12.06892 
1 1 1 -13 -22 19 o 5.7184  2.8061  -27.1679   13.347   -151.8701  46.139   -15.7796   13.943   8.9279  4.5047  6.8515  3.2299  2.076443       5.543003 
1 1 1 -13 -22 20 o 72.909  3.5223  646.066    62.312   639.305    101.231  650.190    79.066   72.184  5.8295  72.965  4.4877  -0.7811203     7.356848 
1 1 1 -13 -22 21 o 66.221  6.6405  540.670    105.262  0.0000     0.0000   540.670    105.262  ?       ?       66.221  6.6405  0.000000       6.640472 
1 1 1 -13 -22 22 f 79.125  6.6597  769.754    126.671  0.0000     0.0000   769.754    126.671  ?       ?       79.125  6.6597  0.000000       6.659711 
1 1 1 -13 -22 23 o 154.412 5.9004  2907.33    221.070  3136.48    327.010  2714.46    300.012  159.738 8.4672  148.598 8.3546  11.14020       11.89510 
1 1 1 -13 -22 24 o 131.898 5.5701  2120.25    178.264  2370.28    268.117  1922.15    238.654  138.903 7.9888  125.056 7.9057  13.84707       11.23929 
1 1 1 -13 -22 25 o 110.860 3.6583  1493.97    98.404   1452.60    148.510  1526.35    131.387  109.023 5.6333  111.972 4.8359  -2.949394      7.424278 
1 1 1 -13 -22 26 o 11.640  5.0265  -3.2188    25.938   -18.3674   44.299   4.6843     31.997   14.186  6.3296  13.819  5.7562  0.3667946      8.555547 
1 1 1 -13 -22 27 o 216.424 5.0698  5704.85    266.233  5567.73    387.305  5827.69    366.572  213.318 7.4828  218.375 6.9182  -5.057495      10.19082 
1 1 1 -13 -22 28 o 55.837  3.8803  380.958    52.246   318.320    83.448   421.340    67.003   50.564  6.9884  58.639  4.7500  -8.074295      8.449854 
1 1 1 -13 -22 29 o 172.896 4.4559  3638.08    186.934  3607.77    275.554  3663.93    254.436  171.849 6.6084  173.278 6.0516  -1.429031      8.960604 
1 1 1 -13 -22 30 o 104.327 3.7126  1323.47    93.982   1426.22    143.892  1247.03    124.112  108.017 5.5084  101.172 5.0558  6.844620       7.476870 
1 1 1 -13 -22 31 o 110.820 5.3359  1497.18    143.479  1686.84    226.963  1370.93    185.174  117.005 8.0433  105.583 7.2724  11.42135       10.84355 
1 1 1 -13 -22 32 o 247.871 8.0006  7539.00    481.186  7495.01    707.798  7576.80    656.134  245.483 11.883  247.284 10.935  -1.801163      16.14887 
1 1 1 -13 -22 33 o 151.737 6.0144  2812.34    221.437  2762.52    339.732  2849.14    291.981  149.374 9.4217  152.146 7.9366  -2.772903      12.31905 
1 1 1 -13 -22 34 o 60.314  3.8946  444.517    56.692   340.375    91.327   509.804    72.311   52.175  7.4233  64.518  4.6502  -12.34314      8.759543 
1 1 1 -13 -22 35 o 47.382  4.2329  275.590    48.153   339.798    79.711   238.693    60.424   52.308  6.4148  43.818  5.8278  8.490231       8.666750 
1 1 1 -13 -22 36 o 135.948 4.0586  2251.05    133.880  2236.73    202.612  2262.16    178.367  135.166 6.1778  136.077 5.4021  -0.9112549     8.206602 
1 1 1 -13 -22 37 o 191.262 4.7417  4464.67    220.053  4636.04    325.734  4320.80    298.456  194.248 6.9110  187.646 6.5551  6.601959       9.525282 
1 1 1 -13 -22 38 o 139.408 4.1221  2369.73    139.435  2432.26    211.025  2321.28    185.763  140.794 6.1771  137.691 5.5602  3.102539       8.310987 
1 1 1 -13 -22 39 o 63.606  3.8703  495.075    59.448   495.943    96.935   494.552    75.263   63.194  6.4105  63.403  4.9310  -0.2094345     8.087597 
1 1 1 -13 -22 40 o 22.126  6.4402  61.508     36.668   29.845     65.089   76.229     44.381   21.145  8.4307  24.556  7.0673  -3.411169      11.00111 
1 1 1 -13 -22 41 o 68.971  3.8581  582.473    64.308   593.243    104.711  575.951    81.485   69.083  6.3167  68.382  4.9444  0.7017670      8.021699 
1 1 1 -13 -22 42 o 116.272 3.9860  1652.18    112.453  1571.56    173.403  1710.69    147.730  112.594 6.3733  118.023 5.1587  -5.429237      8.199449 
1 1 1 -13 -22 43 o 60.880  4.0080  455.244    58.875   566.110    98.120   392.872    73.596   67.426  6.0623  56.228  5.4633  11.19768       8.160789 
1 1 1 -13 -22 44 o 124.150 5.7646  1904.48    173.651  2060.70    258.184  1775.44    234.657  127.616 8.3846  118.520 8.2103  9.095665       11.73507 
1 1 1 -13 -22 45 f 59.955  5.7924  448.744    83.215   538.522    130.921  387.886    107.791  64.737  8.5435  54.858  8.3625  9.878742       11.95507 
1 1 1 -13 -22 46 o 36.004  7.3596  168.157    62.123   133.127    102.312  188.614    78.187   32.519  10.952  37.820  8.7012  -5.301067      13.98790 
1 1 1 -13 -22 47 o 27.097  6.2896  94.974     40.557   110.804    74.113   88.207     48.457   29.407  9.2858  26.113  7.3415  3.293699       11.83737 
1 1 1 -13 -22 48 o 77.258  4.1811  735.099    78.087   727.129    133.352  739.259    96.330   75.676  7.3553  77.174  5.1743  -1.497780      8.992994 
1 1 1 -13 -22 49 f 60.036  4.4698  445.979    64.645   548.675    115.754  399.431    77.931   65.588  7.4031  56.425  5.7734  9.162319       9.388211 
1 1 1 -13 -22 50 o 60.050  4.6024  447.033    66.550   197.522    118.704  561.409    80.369   38.067  11.710  67.223  4.9623  -29.15592      12.71780 
1 1 1 -13 -22 51 o 96.157  5.9695  1158.15    138.589  768.404    241.428  1349.70    169.253  73.136  14.116  103.367 6.7859  -30.23151      15.66256 
1 1 1 -13 -22 52 o 59.355  6.1717  445.772    87.584   513.294    168.719  420.864    102.472  60.683  11.884  57.066  7.5888  3.616764       14.10024 
1 1 1 -13 -22 53 o 52.234  4.8080  340.874    60.254   477.400    113.267  286.992    71.157   60.559  7.8963  47.374  6.3502  13.18507       10.13290 
1 1 1 -13 -22 54 o 33.455  6.3305  145.476    49.507   67.132     103.532  168.700    56.369   26.821  10.652  35.961  6.7069  -9.140177      12.58761 
1 1 1 -13 -22 55 f 37.541  5.9316  181.418    52.236   95.745     105.303  209.380    60.160   28.828  10.935  40.220  6.3772  -11.39211      12.65841 
1 1 1 -13 -22 56 o 62.516  4.6514  488.868    70.051   503.350    133.086  483.318    82.388   60.856  9.3088  61.766  5.5568  -0.9092827     10.84120 
1 1 1 -13 -22 57 o 24.802  8.5531  77.588     62.452   -32.5780   133.945  108.190    70.595   23.744  10.764  28.352  9.0745  -4.607273      14.07891 
1 1 1 -13 -22 58 o 18.813  7.8482  17.511     59.609   109.763    126.830  -8.6449    67.533   30.314  11.867  17.969  7.9268  12.34487       14.27110 
1 1 1 -13 -22 59 o 49.856  6.1991  321.880    73.372   423.690    143.889  286.105    85.294   53.718  11.393  46.081  7.9135  7.637299       13.87134 
1 1 1 -13 -22 60 o 29.722  9.6751  121.890    80.019   305.651    158.940  59.499     92.612   43.805  13.562  24.972  10.022  18.83306       16.86336 
1 1 1 -13 -22 61 o 17.333  7.7973  -21.4566   68.730   147.469    146.030  -69.5242   77.897   33.176  12.804  16.243  7.6504  16.93224       14.91521 
1 1 1 -13 -22 62 o 14.009  6.5409  -45.2385   54.872   -61.1294   129.621  -41.7691   60.566   22.142  10.240  15.079  6.9830  7.062658       12.39444 
1 1 1 -13 -22 63 o 26.071  8.9788  88.565     68.813   184.632    143.489  59.871     78.419   35.439  12.890  23.971  9.3459  11.46817       15.92185 
1 1 1 -13 -22 64 o 65.904  8.9087  597.144    138.808  641.540    335.492  587.974    152.471  54.152  19.708  64.370  10.094  -10.21780      22.14275 
1 1 1 -13 -22 65 o 32.080  11.545  148.843    114.680  881.484    327.663  46.569     122.423  64.809  19.355  25.876  11.042  38.93289       22.28364 
1 1 1 -13 -21 1  f 238.016 5.4978  6909.89    317.510  6718.46    455.105  7091.43    443.185  233.993 8.0158  240.540 7.5934  -6.546692      11.04136 
1 1 1 -13 -21 2  o 197.942 6.5217  4787.58    313.228  5298.93    455.861  4330.24    431.118  207.560 9.0516  187.267 9.5192  20.29343       13.13571 
1 1 1 -13 -21 3  o 112.710 4.9989  1547.42    136.708  1452.32    204.714  1623.96    183.664  108.603 7.8209  115.106 6.6036  -6.502998      10.23598 
1 1 1 -13 -21 4  o 78.542  4.6206  753.472    87.669   736.763    134.502  765.815    115.600  77.279  7.2581  78.993  6.0779  -1.713837      9.466795 
1 1 1 -13 -21 5  o 119.636 5.1363  1743.40    149.101  1588.16    222.819  1869.27    200.641  113.561 8.1405  123.525 6.7195  -9.964279      10.55555 
1 1 1 -13 -21 6  o 162.287 5.8266  3211.36    229.436  3434.23    337.782  3020.46    312.620  167.388 8.3167  156.785 8.2467  10.60333       11.71215 
1 1 1 -13 -21 7  o 274.457 6.0191  9187.10    400.840  8807.50    578.299  9538.12    556.099  267.892 8.8967  279.018 8.2140  -11.12567      12.10871 
1 1 1 -13 -21 8  o 241.121 7.8716  7116.48    460.532  7116.48    460.532  0.0000     0.0000   241.121 7.8716  ?       ?       0.000000       7.871556 
1 1 1 -13 -21 9  o 258.467 8.2702  8183.86    518.666  8183.86    518.666  0.0000     0.0000   258.467 8.2702  ?       ?       0.000000       8.270243 
1 1 1 -13 -21 10 o 160.037 4.2298  3115.09    164.249  2803.10    241.226  3384.76    224.266  151.543 6.5603  166.669 5.5455  -15.12622      8.590146 
1 1 1 -13 -21 11 o 177.265 4.4930  3823.04    193.253  3372.98    282.294  4219.98    265.115  166.170 7.0014  186.055 5.8726  -19.88487      9.138236 
1 1 1 -13 -21 12 o 25.696  4.8196  82.977     28.946   43.822     56.001   97.252     33.813   21.586  8.0186  27.814  5.2014  -6.228422      9.557875 
1 1 1 -13 -21 13 o 92.282  3.4956  1034.91    78.272   966.424    121.633  1083.32    102.257  88.875  5.6699  94.365  4.4660  -5.489548      7.217556 
1 1 1 -13 -21 14 o 138.146 3.9023  2320.21    130.806  2406.00    195.811  2251.06    175.781  140.505 5.7436  135.949 5.3289  4.556183       7.834889 
1 1 1 -13 -21 15 o 146.751 3.9718  2618.45    141.427  2989.41    210.989  2315.79    190.581  156.640 5.5513  137.851 5.6978  18.78873       7.954967 
1 1 1 -13 -21 16 o 166.696 4.2435  3379.59    171.638  3728.26    253.791  3085.71    233.004  174.870 5.9813  159.082 6.0364  15.78844       8.497902 
1 1 1 -13 -21 17 o 422.492 8.3631  21864.58   857.332  25022.53   1223.28  18816.04   1201.90  450.272 11.197  389.498 12.717  60.77420       16.94398 
1 1 1 -13 -21 18 o 164.811 4.2215  3303.48    168.816  3637.65    249.608  3021.77    229.181  172.736 5.9554  157.430 5.9997  15.30620       8.453569 
1 1 1 -13 -21 19 o 146.794 3.9990  2620.04    142.438  2962.84    212.496  2340.36    191.943  155.935 5.6162  138.580 5.7083  17.35532       8.007915 
1 1 1 -13 -21 20 o 129.937 5.1257  2055.76    161.604  0.0000     0.0000   2055.76    161.604  ?       ?       129.937 5.1257  0.000000       5.125733 
1 1 1 -13 -21 21 o 96.554  4.6637  1134.43    109.260  0.0000     0.0000   1134.43    109.260  ?       ?       96.554  4.6637  0.000000       4.663696 
1 1 1 -13 -21 22 o 36.030  8.2530  165.260    70.600   0.0000     0.0000   165.260    70.600   ?       ?       36.030  8.2530  0.000000       8.252997 
1 1 1 -13 -21 23 o 171.960 6.2245  3606.88    259.714  3654.55    379.920  3565.06    355.843  172.329 9.1183  170.324 8.6386  2.005402       12.56061 
1 1 1 -13 -21 24 o 150.033 5.7630  2743.65    209.797  2818.38    305.173  2676.69    288.891  151.456 8.3363  147.642 8.0951  3.813766       11.61996 
1 1 1 -13 -21 25 o 257.943 6.4598  8119.73    404.303  9125.44    714.980  7646.97    490.204  272.006 10.833  249.906 8.0842  22.10042       13.51701 
1 1 1 -13 -21 26 o 224.038 5.1830  6112.86    281.752  5968.06    409.125  6243.49    388.583  220.874 7.6339  226.043 7.0848  -5.168991      10.41496 
1 1 1 -13 -21 27 o 252.355 5.6371  7761.69    345.167  7784.30    499.106  7740.96    477.865  252.088 8.1597  251.481 7.8313  0.6077881      11.30979 
1 1 1 -13 -21 28 o 161.005 4.2200  3153.22    164.859  3381.34    243.430  2959.95    224.063  166.501 6.0255  155.794 5.9273  10.70650       8.452180 
1 1 1 -13 -21 29 o 120.665 3.8696  1770.41    113.294  1599.94    170.037  1906.51    151.932  114.349 6.1510  125.122 5.0044  -10.77319      7.929626 
1 1 1 -13 -21 30 o 74.469  3.7107  674.243    67.050   626.375    105.043  707.158    87.104   71.388  6.1235  76.068  4.7428  -4.679642      7.745433 
1 1 1 -13 -21 31 o 107.278 5.4459  1406.43    141.292  1349.98    222.525  1444.56    182.890  104.469 8.8622  108.475 6.9857  -4.006393      11.28449 
1 1 1 -13 -21 32 o 208.065 7.0856  5296.29    357.717  5365.34    532.707  5239.59    482.751  208.097 10.585  206.215 9.6480  1.882370       14.32228 
1 1 1 -13 -21 33 o 228.473 7.5683  6396.96    419.563  6368.64    621.623  6420.65    568.616  226.575 11.307  227.934 10.281  -1.359375      15.28250 
1 1 1 -13 -21 34 o 168.979 6.1675  3488.95    252.876  4040.05    386.104  3075.00    334.633  181.175 8.7830  157.833 8.7725  23.34248       12.41363 
1 1 1 -13 -21 35 o 118.743 3.9060  1715.89    112.539  1659.00    171.328  1759.07    149.253  116.345 6.0901  120.094 5.1220  -3.748825      7.957671 
1 1 1 -13 -21 36 o 8.7721  4.3060  -64.0951   31.503   -112.5746  53.731   -38.6993   38.889   11.330  5.5738  11.724  5.4846  -0.3939123     7.819718 
1 1 1 -13 -21 37 o 180.390 4.6027  3968.57    201.459  4181.03    299.366  3792.72    272.356  184.622 6.6827  175.925 6.3804  8.696960       9.239485 
1 1 1 -13 -21 38 o 111.078 3.8657  1503.09    104.188  1526.04    160.988  1486.55    136.669  111.448 5.9751  110.295 5.1068  1.153175       7.860078 
1 1 1 -13 -21 39 o 121.244 4.0123  1792.39    118.037  1667.56    180.787  1885.15    155.837  116.320 6.4304  124.136 5.1738  -7.816086      8.253340 
1 1 1 -13 -21 40 o 19.494  6.5453  43.985     36.540   -73.9739   63.074   103.571    44.828   14.341  6.7932  28.443  6.6197  -14.10203      9.485169 
1 1 1 -13 -21 41 o 14.804  6.0768  9.1315     34.955   23.231     65.011   3.3974     41.458   20.565  8.3461  15.385  6.4893  5.180646       10.57208 
1 1 1 -13 -21 42 o 74.975  3.8733  688.260    70.223   717.438    113.206  670.011    89.530   76.024  6.1908  73.740  5.0339  2.284012       7.979118 
1 1 1 -13 -21 43 o 24.620  6.5143  77.721     39.519   39.307     68.975   96.494     48.218   22.304  8.7460  27.365  7.1741  -5.061010      11.31194 
1 1 1 -13 -21 44 o 78.671  5.5435  766.745    105.141  765.083    161.026  767.981    138.818  77.429  8.7229  78.106  7.4137  -0.6774139     11.44780 
1 1 1 -13 -21 45 o 165.480 6.4917  3403.30    260.657  3466.67    382.746  3348.48    355.960  164.440 9.6347  162.083 9.0877  2.356339       13.24439 
1 1 1 -13 -21 46 o 77.924  5.6296  754.825    105.726  777.430    163.202  738.479    138.785  77.778  8.8027  76.329  7.5945  1.449844       11.62599 
1 1 1 -13 -21 47 o 95.093  3.9420  1108.24    90.956   1220.86    146.744  1037.99    115.905  98.920  6.1442  91.534  5.2404  7.385918       8.075467 
1 1 1 -13 -21 48 o 58.863  4.4369  428.323    62.904   537.680    111.443  377.191    76.204   65.085  7.1761  54.843  5.8153  10.24247       9.236564 
1 1 1 -13 -21 49 o 62.115  4.3888  476.734    65.720   472.565    116.188  478.696    79.694   60.556  8.1113  61.972  5.3524  -1.416180      9.718079 
1 1 1 -13 -21 50 o 64.371  4.4608  512.468    69.244   395.797    125.842  563.132    82.927   54.498  9.8804  67.295  5.1170  -12.79709      11.12681 
1 1 1 -13 -21 51 o 133.675 6.1849  2233.22    200.606  2238.46    332.643  2230.22    251.483  129.831 10.653  132.190 7.8763  -2.358841      13.24863 
1 1 1 -13 -21 52 o 54.608  6.4432  379.037    83.729   284.950    163.717  412.363    97.436   44.450  13.765  56.656  7.2543  -12.20636      15.55952 
1 1 1 -13 -21 53 f 13.307  6.0038  -19.2090   41.094   149.830    87.073   -67.6508   46.612   33.284  9.9861  11.620  5.5940  21.66408       11.44621 
1 1 1 -13 -21 54 o 84.286  4.2796  879.765    87.236   871.009    152.338  884.037    106.412  82.010  7.7474  84.066  5.2429  -2.056847      9.354700 
1 1 1 -13 -21 55 o 45.354  5.5956  261.452    60.272   280.982    115.572  254.156    70.638   44.612  10.794  44.243  6.7975  0.3681984      12.75589 
1 1 1 -13 -21 56 o 26.725  7.8781  95.069     54.561   162.799    104.312  69.559     64.017   34.130  11.042  24.143  8.6323  9.986944       14.01574 
1 1 1 -13 -21 57 o 18.979  7.8116  21.222     57.955   -42.3944   123.511  39.184     65.628   22.480  10.247  21.338  8.4788  1.141443       13.30005 
1 1 1 -13 -21 58 f 33.746  8.2925  156.169    67.416   -47.1522   137.589  220.405    77.335   23.432  10.732  40.274  8.1927  -16.84174      13.50175 
1 1 1 -13 -21 59 o 38.878  7.5764  203.212    68.902   165.158    141.202  215.104    78.938   34.296  12.734  39.583  8.4747  -5.286594      15.29642 
1 1 1 -13 -21 60 o 34.163  9.8561  165.851    86.222   57.501     161.283  209.209    102.025  29.206  12.573  37.940  10.648  -8.733896      16.47622 
1 1 1 -13 -21 61 o 22.732  9.1370  44.778     77.109   111.906    153.672  22.188     89.144   31.504  12.814  22.260  9.4589  9.243938       15.92724 
1 1 1 -13 -21 62 o 55.665  6.0476  398.677    80.369   368.388    162.318  408.514    92.504   48.477  13.367  55.845  6.9792  -7.367287      15.07962 
1 1 1 -13 -21 63 o 24.782  8.6692  77.684     64.270   87.419     140.699  75.117     72.247   29.533  12.165  24.938  9.1351  4.595480       15.21319 
1 1 1 -13 -21 64 o 60.751  9.4858  515.079    135.256  444.660    358.999  526.728    146.015  46.192  19.264  60.794  10.264  -14.60126      21.82793 
1 1 1 -13 -21 65 o 65.383  8.9222  592.361    137.851  964.755    397.761  541.528    146.959  62.711  21.588  61.330  10.236  1.381023       23.89158 
1 1 1 -13 -20 1  o 14.891  5.2982  23.135     24.088   27.753     41.180   20.734     29.698   17.988  6.8343  15.390  5.8143  2.597381       8.972954 
1 1 1 -13 -20 2  o 311.914 6.7068  11884.95   507.591  11515.07   731.419  12228.59   704.996  305.807 9.8572  315.433 9.2112  -9.626556      13.49114 
1 1 1 -13 -20 3  o 209.283 5.7434  5339.84    291.655  5338.34    366.956  5342.42    480.584  208.953 7.2377  208.450 9.5017  0.5030365      11.94435 
1 1 1 -13 -20 4  o 97.720  4.8078  1162.41    113.998  1105.34    172.644  1206.53    151.795  94.762  7.5717  99.237  6.3371  -4.474747      9.873691 
1 1 1 -13 -20 5  o 170.152 6.0702  3530.88    250.614  3407.70    368.070  3637.35    342.187  166.363 9.1534  172.331 8.1834  -5.968231      12.27819 
1 1 1 -13 -20 6  o 206.515 6.8442  5208.08    342.954  5165.40    499.669  5246.10    471.570  204.895 10.050  206.669 9.4039  -1.774185      13.76389 
1 1 1 -13 -20 7  o 170.980 9.0363  3596.46    373.556  3596.46    373.556  0.0000     0.0000   170.980 9.0363  ?       ?       0.000000       9.036302 
1 1 1 -13 -20 8  o 7.0831  3.5911  -117.4867  31.825   -117.4867  31.825   0.0000     0.0000   7.0831  3.5911  ?       ?       0.000000       3.591136 
1 1 1 -13 -20 9  f 125.265 3.8047  1907.42    115.642  1678.56    171.623  2097.74    156.506  117.179 6.0569  131.280 4.9133  -14.10058      7.799080 
1 1 1 -13 -20 10 o 212.784 4.9798  5511.47    257.107  5316.21    373.251  5687.77    354.668  208.565 7.3756  215.854 6.7717  -7.289230      10.01274 
1 1 1 -13 -20 11 o 122.363 3.6589  1819.77    108.634  2037.38    162.886  1645.44    145.795  129.355 5.1896  116.250 5.1687  13.10443       7.324497 
1 1 1 -13 -20 12 o 208.641 4.8595  5297.95    246.011  5563.50    358.566  5061.76    338.154  213.459 6.9229  203.621 6.8443  9.837952       9.735061 
1 1 1 -13 -20 13 f 169.063 5.0637  3479.52    207.722  3543.47    260.831  3368.63    343.462  170.449 6.3067  165.603 8.5771  4.845947       10.64615 
1 1 1 -13 -20 14 o 133.567 3.8450  2168.67    124.614  2264.34    186.805  2091.96    167.270  136.326 5.6474  131.071 5.2595  5.254761       7.717205 
1 1 1 -13 -20 15 o 41.764  3.9543  213.940    39.594   304.419    69.760   170.943    48.090   49.630  5.9091  37.062  5.5158  12.56862       8.083410 
1 1 1 -13 -20 16 o 40.205  3.9687  198.419    38.211   190.136    68.690   202.131    45.982   38.785  7.5708  40.478  4.7735  -1.693344      8.950006 
1 1 1 -13 -20 17 o 45.450  3.8427  252.892    41.981   195.223    74.074   280.179    50.954   39.241  8.0497  47.789  4.4453  -8.547413      9.195518 
1 1 1 -13 -20 18 f 45.965  3.9317  258.721    43.428   390.732    75.347   193.049    53.144   56.361  5.5831  39.398  5.7269  16.96251       7.998059 
1 1 1 -13 -20 19 o 133.967 5.2085  2185.26    169.307  0.0000     0.0000   2185.26    169.307  ?       ?       133.967 5.2085  0.000000       5.208508 
1 1 1 -13 -20 20 o 154.303 5.5801  2900.58    208.920  0.0000     0.0000   2900.58    208.920  ?       ?       154.303 5.5801  0.000000       5.580110 
1 1 1 -13 -20 21 o 199.122 6.5330  4837.77    315.641  0.0000     0.0000   4837.77    315.641  ?       ?       199.122 6.5330  0.000000       6.532963 
1 1 1 -13 -20 22 o 134.500 5.5464  2203.78    181.010  2596.12    269.670  1882.06    244.194  145.514 7.6648  123.734 8.1797  21.77930       11.20966 
1 1 1 -13 -20 23 o 209.668 6.9517  5368.03    353.662  5441.48    508.223  5299.06    492.458  210.384 9.9558  207.662 9.7734  2.721863       13.95130 
1 1 1 -13 -20 24 o 115.020 5.2523  1611.01    146.583  1339.79    214.601  1848.22    200.697  104.232 8.5610  122.865 6.7580  -18.63368      10.90692 
1 1 1 -13 -20 25 o 9.2956  4.5640  -72.5472   35.455   -45.3990   59.734   -87.3145   44.055   15.256  7.0180  10.463  5.1271  4.792279       8.691401 
1 1 1 -13 -20 26 o 182.801 4.5090  4065.39    199.998  4528.62    292.686  3659.64    273.925  192.685 6.2602  173.175 6.5190  19.50969       9.038135 
1 1 1 -13 -20 27 o 191.125 4.6635  4445.09    216.268  4554.21    316.286  4349.27    296.382  193.138 6.7491  188.790 6.4701  4.347473       9.349472 
1 1 1 -13 -20 28 o 158.151 4.2310  3042.13    162.361  3031.33    239.691  3051.30    220.709  157.633 6.2667  158.220 5.7490  -0.5875549     8.504305 
1 1 1 -13 -20 29 o 95.928  3.6920  1118.62    85.937   1073.27    132.018  1151.96    113.205  93.647  5.8391  97.282  4.7959  -3.634857      7.556129 
1 1 1 -13 -20 30 o 207.379 4.9421  5236.33    248.678  5414.74    363.728  5079.73    340.762  210.475 7.1222  203.909 6.8873  6.565750       9.907609 
1 1 1 -13 -20 31 o 310.471 9.6344  11859.97   725.785  11220.61   1053.48  12437.60   1001.34  299.352 14.504  316.102 13.055  -16.75000      19.51413 
1 1 1 -13 -20 32 o 51.578  6.1840  329.273    75.849   210.092    134.579  384.754    91.822   40.961  12.443  55.681  6.9476  -14.71996      14.25146 
1 1 1 -13 -20 33 o 188.766 6.6662  4354.99    305.328  4512.70    459.764  4230.57    408.386  191.045 9.9527  185.468 9.0748  5.576904       13.46880 
1 1 1 -13 -20 34 o 177.906 6.5550  3869.10    282.964  3705.17    428.495  3995.88    376.810  172.865 10.262  180.303 8.6130  -7.438232      13.39735 
1 1 1 -13 -20 35 o 148.086 4.2352  2669.59    152.178  2543.37    228.011  2770.98    204.353  144.207 6.5164  150.682 5.5893  -6.474533      8.585059 
1 1 1 -13 -20 36 o 63.453  4.0037  492.025    61.326   472.804    98.149   504.335    78.546   61.796  6.6504  64.104  5.0918  -2.307365      8.375830 
1 1 1 -13 -20 37 f 66.909  3.9230  546.922    63.411   403.457    100.782  640.936    81.584   56.828  7.4915  72.353  4.6721  -15.52472      8.829000 
1 1 1 -13 -20 38 o 130.100 4.0305  2062.18    127.234  2189.06    193.463  1965.46    168.899  133.707 5.9632  126.784 5.4903  6.923775       8.105781 
1 1 1 -13 -20 39 o 66.946  3.9085  548.014    63.213   578.214    103.381  529.979    79.888   68.357  6.3039  65.658  5.0534  2.699829       8.079352 
1 1 1 -13 -20 40 o 95.668  3.8135  1115.74    88.522   1208.68    137.726  1050.32    115.552  99.108  5.7520  92.494  5.1694  6.613602       7.733538 
1 1 1 -13 -20 41 o 54.932  4.1536  370.509    54.953   376.369    92.537   367.316    68.300   54.745  7.1361  54.503  5.2287  0.2414474      8.846667 
1 1 1 -13 -20 42 o 115.713 3.9885  1635.25    111.985  1646.91    174.282  1627.05    146.148  115.409 6.2469  115.147 5.2309  0.2617645      8.147766 
1 1 1 -13 -20 43 o 45.822  4.5143  259.569    49.540   318.586    84.413   228.563    61.184   50.189  7.1323  42.631  6.0879  7.557739       9.377234 
1 1 1 -13 -20 44 o 47.221  5.6516  278.668    63.468   312.262    87.447   241.273    92.262   49.510  7.5154  42.938  9.1362  6.571163       11.83015 
1 1 1 -13 -20 45 o 105.881 5.6620  1388.23    144.936  1538.36    218.355  1270.00    193.780  110.267 8.2202  100.230 8.0355  10.03678       11.49528 
1 1 1 -13 -20 46 f 34.698  7.6142  156.641    62.346   25.746     102.393  233.762    78.595   24.644  10.284  42.485  7.9154  -17.84116      12.97727 
1 1 1 -13 -20 47 o 47.049  4.6294  274.732    52.165   167.677    92.048   325.381    63.313   35.518  10.165  51.104  5.1774  -15.58665      11.40777 
1 1 1 -13 -20 48 o 48.270  5.0361  290.388    58.115   174.585    102.691  344.948    70.488   36.176  10.843  52.492  5.6216  -16.31650      12.21348 
1 1 1 -13 -20 49 o 58.047  4.5529  417.065    63.611   499.564    115.583  381.220    76.187   62.451  7.7976  55.143  5.7801  7.307961       9.706254 
1 1 1 -13 -20 50 o 71.234  4.4283  626.647    76.160   474.328    135.890  696.401    91.960   59.923  9.6757  74.901  5.0902  -14.97766      10.93296 
1 1 1 -13 -20 51 o 89.201  5.8343  994.446    125.581  1101.06    222.160  944.382    152.238  91.251  10.209  86.182  7.3505  5.069107       12.57963 
1 1 1 -13 -20 52 o 50.784  6.6626  329.198    80.118   223.068    159.069  365.274    92.740   40.173  13.656  53.253  7.3752  -13.08017      15.51998 
1 1 1 -13 -20 53 o 21.164  7.3831  52.109     46.599   180.607    97.517   14.084     53.048   36.290  10.485  17.933  7.4358  18.35619       12.85431 
1 1 1 -13 -20 54 f 55.501  5.3320  387.298    70.921   388.033    121.603  386.919    87.307   53.509  9.7241  54.935  6.6880  -1.425354      11.80202 
1 1 1 -13 -20 55 o 66.582  4.9818  554.810    79.901   520.211    140.636  571.300    97.093   61.963  9.6699  67.102  6.0276  -5.139500      11.39468 
1 1 1 -13 -20 56 o 53.946  5.4836  368.553    70.780   321.333    123.970  391.390    86.213   47.522  10.973  55.119  6.5761  -7.596382      12.79266 
1 1 1 -13 -20 57 o 76.169  5.1661  729.994    94.914   793.588    172.854  702.543    113.567  76.319  9.5429  74.027  6.3851  2.291779       11.48203 
1 1 1 -13 -20 58 o 34.348  8.1024  160.807    66.433   105.390    134.378  178.732    76.426   30.496  12.128  35.943  8.8274  -5.447533      15.00030 
1 1 1 -13 -20 59 o 21.063  8.3245  39.769     62.947   54.335     126.754  35.001     72.522   27.090  11.382  21.590  8.7948  5.499903       14.38429 
1 1 1 -13 -20 60 o 41.512  9.1649  239.944    89.844   121.707    180.241  279.035    103.638  33.080  13.710  44.425  9.8708  -11.34576      16.89399 
1 1 1 -13 -20 61 o 32.330  10.063  146.908    87.374   282.445    165.773  94.772     102.814  42.267  13.934  28.237  10.782  14.02985       17.61827 
1 1 1 -13 -20 62 o 30.037  8.6075  123.973    65.960   419.180    155.603  59.307     72.827   52.811  12.362  23.614  9.0606  29.19768       15.32657 
1 1 1 -13 -20 63 o 52.865  6.1728  360.972    77.689   315.520    165.017  373.915    88.059   44.441  13.829  53.391  6.9631  -8.950008      15.48305 
1 1 1 -13 -20 64 o 31.725  11.202  141.023    107.471  415.665    362.291  114.523    112.537  45.405  19.169  29.847  11.308  15.55863       22.25617 
1 1 1 -13 -19 1  o 112.589 3.6547  1540.90    99.841   1525.84    152.454  1552.22    132.114  111.745 5.6409  112.919 4.8219  -1.174065      7.420958 
1 1 1 -13 -19 2  o 262.225 5.8859  8383.52    374.497  7873.57    542.827  8846.69    517.331  253.346 8.8304  268.833 7.9309  -15.48636      11.86911 
1 1 1 -13 -19 3  o 199.818 4.6665  4858.70    226.252  5451.64    332.028  4344.71    309.134  211.363 6.4741  188.641 6.7538  22.72284       9.355641 
1 1 1 -13 -19 4  o 400.739 8.2466  19664.60   801.866  19146.61   1146.64  20160.38   1121.79  393.393 12.013  404.036 11.443  -10.64340      16.59024 
1 1 1 -13 -19 5  o 264.887 8.1982  8589.80    526.921  8662.33    760.872  8522.96    730.417  264.711 11.846  262.730 11.458  1.980408       16.48058 
1 1 1 -13 -19 6  o 180.138 9.3190  3992.75    405.929  3992.75    405.929  0.0000     0.0000   180.138 9.3190  ?       ?       0.000000       9.319001 
1 1 1 -13 -19 7  o 13.316  6.0818  -29.5371   43.785   -29.5371   43.785   0.0000     0.0000   13.316  6.0818  ?       ?       0.000000       6.081827 
1 1 1 -13 -19 8  o 166.365 8.9583  3402.80    360.285  3402.80    360.285  0.0000     0.0000   166.365 8.9583  ?       ?       0.000000       8.958282 
1 1 1 -13 -19 9  o 221.554 5.1710  5976.03    277.981  5398.79    402.961  6500.17    383.975  210.091 7.9048  230.760 6.8577  -20.66808      10.46490 
1 1 1 -13 -19 10 o 121.448 3.6710  1792.60    108.178  1835.02    162.322  1758.70    145.098  122.747 5.4501  120.206 4.9747  2.541000       7.379103 
1 1 1 -13 -19 11 o 42.853  3.4804  224.612    35.877   258.157    58.840   204.761    45.264   45.727  5.4080  40.761  4.6603  4.965202       7.138992 
1 1 1 -13 -19 12 o 201.557 4.7371  4943.12    231.674  5202.37    337.496  4712.09    318.593  206.466 6.7368  196.506 6.6818  9.960037       9.488521 
1 1 1 -13 -19 13 o 69.877  4.2046  595.879    70.957   585.240    94.133   609.880    107.983  69.081  5.6658  70.429  6.3884  -1.348587      8.538927 
1 1 1 -13 -19 14 o 179.071 4.4679  3900.47    194.129  3764.60    284.733  4018.48    265.369  175.643 6.6810  181.567 6.0235  -5.924576      8.995492 
1 1 1 -13 -19 15 o 44.825  3.7679  245.943    40.602   224.412    70.924   256.439    49.519   42.294  7.1671  45.692  4.5260  -3.398132      8.476554 
1 1 1 -13 -19 16 o 296.976 6.3385  10755.95   456.742  10962.92   656.159  10561.41   636.165  299.012 9.0439  293.524 8.9323  5.488525       12.71133 
1 1 1 -13 -19 17 o 37.397  4.1870  172.171    37.341   132.281    66.991   190.152    44.977   32.284  8.4525  39.237  4.8258  -6.953499      9.733120 
1 1 1 -13 -19 18 o 178.849 6.0988  3899.50    264.664  0.0000     0.0000   3899.50    264.664  ?       ?       178.849 6.0988  0.000000       6.098797 
1 1 1 -13 -19 19 o 62.742  4.5368  481.351    68.602   0.0000     0.0000   481.351    68.602   ?       ?       62.742  4.5368  0.000000       4.536811 
1 1 1 -13 -19 20 o 209.824 6.7855  5373.34    345.465  0.0000     0.0000   5373.34    345.465  ?       ?       209.824 6.7855  0.000000       6.785549 
1 1 1 -13 -19 21 o 53.165  3.9069  345.446    50.046   422.555    90.406   311.376    60.094   58.505  6.4773  50.335  4.9859  8.169411       8.174005 
1 1 1 -13 -19 22 o 123.889 3.7628  1865.53    113.114  1898.02    168.449  1838.85    152.649  124.827 5.5615  122.904 5.1188  1.923454       7.558585 
1 1 1 -13 -19 23 o 204.521 6.8735  5105.97    341.099  4825.16    489.228  5371.61    475.826  197.829 10.227  209.223 9.3729  -11.39352      13.87230 
1 1 1 -13 -19 24 f 166.702 6.1023  3387.90    246.830  3149.40    355.653  3609.52    342.840  159.978 9.2010  171.727 8.2279  -11.74968      12.34329 
1 1 1 -13 -19 25 o 15.238  6.4094  3.2044     40.260   12.861     68.323   -1.9322    49.829   20.365  8.4409  16.451  7.0331  3.913836       10.98695 
1 1 1 -13 -19 26 o 179.563 4.5161  3922.32    196.762  3934.96    288.225  3911.29    269.268  179.575 6.6149  179.097 6.1963  0.4774628      9.063719 
1 1 1 -13 -19 27 o 265.721 5.8489  8605.47    377.104  8821.86    544.122  8405.46    523.109  268.404 8.3549  262.029 8.2277  6.374298       11.72604 
1 1 1 -13 -19 28 o 367.539 7.6766  16519.97   684.604  16280.37   979.543  16748.77   957.197  363.285 11.112  368.696 10.700  -5.411072      15.42626 
1 1 1 -13 -19 29 o 197.098 4.6925  4727.40    224.412  5445.46    328.544  4099.37    307.258  211.260 6.4093  183.214 6.9116  28.04601       9.426014 
1 1 1 -13 -19 30 o 263.745 5.9015  8480.84    377.670  8148.20    545.919  8786.17    523.029  257.770 8.7283  267.886 8.0466  -10.11572      11.87145 
1 1 1 -13 -19 31 o 115.974 3.8494  1635.29    108.322  1618.89    164.176  1647.93    144.151  115.075 5.8997  116.326 5.1071  -1.251030      7.803131 
1 1 1 -13 -19 32 o 121.517 5.6276  1800.07    165.930  1597.95    260.242  1938.53    215.391  113.604 9.5290  125.733 7.0891  -12.12861      11.87675 
1 1 1 -13 -19 33 o 172.467 6.3338  3631.67    265.056  3894.74    402.122  3429.56    352.460  177.705 9.3590  166.905 8.7335  10.79991       12.80096 
1 1 1 -13 -19 34 o 253.105 8.2277  7860.52    505.290  7532.92    743.957  8141.06    688.444  245.667 12.522  256.417 11.065  -10.74954      16.71056 
1 1 1 -13 -19 35 o 157.735 4.2992  3028.57    164.545  3230.49    246.131  2865.41    221.254  162.609 6.2382  153.194 5.9523  9.415680       8.622352 
1 1 1 -13 -19 36 o 99.355  3.5951  1200.65    86.669   1179.13    124.034  1221.18    121.154  98.185  5.2251  100.083 4.9890  -1.898087      7.224394 
1 1 1 -13 -19 37 o 159.256 4.2334  3089.04    163.587  3061.90    234.236  3114.88    228.564  158.223 6.1013  159.628 5.9011  -1.404510      8.488150 
1 1 1 -13 -19 38 o 13.618  5.4246  11.508     26.924   -5.9792    35.081   36.572     41.997   13.354  5.8060  19.119  6.9707  -5.765336      9.071943 
1 1 1 -13 -19 39 o 39.650  4.2669  193.888    40.405   176.139    56.295   212.747    58.027   37.374  6.4402  41.257  5.9702  -3.882664      8.781732 
1 1 1 -13 -19 40 o 108.011 3.7011  1421.52    96.997   1470.95    139.655  1375.46    134.822  109.633 5.2499  106.016 5.2411  3.616661       7.418251 
1 1 1 -13 -19 41 o 47.719  3.8620  279.528    44.333   229.584    62.786   329.190    62.608   42.776  6.2323  51.613  5.0646  -8.836285      8.030653 
1 1 1 -13 -19 42 o 21.260  6.0463  57.048     32.672   44.595     44.251   71.971     48.442   20.284  7.1850  24.117  7.4908  -3.832241      10.37959 
1 1 1 -13 -19 43 o 28.640  5.1873  103.729    34.721   83.314     48.340   125.486    49.904   25.596  7.3785  31.260  6.7749  -5.663853      10.01707 
1 1 1 -13 -19 44 o 24.299  5.5725  75.575     32.155   92.693     43.288   54.505     48.027   26.827  6.6767  21.800  7.5015  5.027084       10.04243 
1 1 1 -13 -19 45 o 126.435 5.2588  1968.60    161.332  1971.63    214.128  1964.64    245.364  125.609 7.0542  124.783 8.1486  0.8264389      10.77783 
1 1 1 -13 -19 46 o 55.882  4.8376  386.807    64.948   422.352    82.519   328.942    105.287  58.122  5.9345  50.243  8.9652  7.878674       10.75144 
1 1 1 -13 -19 47 o 48.081  3.9445  285.025    45.613   253.631    64.633   316.173    64.380   44.824  6.1012  50.334  5.3536  -5.509949      8.116963 
1 1 1 -13 -19 48 o 44.287  4.4030  243.228    46.687   229.892    65.782   256.763    66.271   42.476  6.5967  45.046  6.2299  -2.570408      9.073473 
1 1 1 -13 -19 49 o 37.652  4.6476  177.011    41.558   171.857    57.034   182.846    60.680   36.567  6.6740  37.684  6.8902  -1.116837      9.592494 
1 1 1 -13 -19 50 o 49.674  4.1375  305.006    49.416   358.093    68.999   249.107    70.804   53.529  5.3856  44.124  6.8344  9.405045       8.701308 
1 1 1 -13 -19 51 o 30.264  8.6796  120.563    67.045   256.240    143.257  82.510     75.867   42.808  12.801  26.552  9.4076  16.25681       15.88621 
1 1 1 -13 -19 52 o 82.835  6.4892  865.507    129.383  681.699    219.401  963.509    160.205  69.209  13.550  86.773  7.6886  -17.56423      15.57946 
1 1 1 -13 -19 53 o 78.185  3.9363  753.565    74.436   697.408    101.829  818.005    109.081  74.572  5.6702  80.827  5.5964  -6.255219      7.966861 
1 1 1 -13 -19 54 o 32.473  5.9790  136.087    45.374   88.863     58.775   205.750    71.386   26.214  8.2684  39.477  7.7292  -13.26256      11.31842 
1 1 1 -13 -19 55 o 55.948  5.4224  394.688    72.686   316.736    126.162  433.419    88.929   47.308  11.170  58.235  6.3990  -10.92728      12.87280 
1 1 1 -13 -19 56 o 20.765  7.8692  43.593     54.506   48.578     104.682  41.740     63.843   25.539  10.503  21.485  8.4173  4.053434       13.46003 
1 1 1 -13 -19 57 o 49.500  6.3549  316.070    74.565   334.799    146.768  309.554    86.569   47.298  12.573  48.372  7.6286  -1.073341      14.70605 
1 1 1 -13 -19 58 o 79.008  5.1045  785.528    97.333   906.015    179.753  735.547    115.774  81.721  9.2267  75.697  6.3623  6.023918       11.20765 
1 1 1 -13 -19 59 o 58.026  6.0146  431.858    83.453   464.124    162.297  420.260    97.302   55.779  12.320  56.558  7.2577  -0.7785454     14.29910 
1 1 1 -13 -19 60 o 72.245  7.2126  682.172    124.744  711.605    213.152  666.839    153.842  68.391  13.324  69.824  9.3126  -1.432739      16.25568 
1 1 1 -13 -19 61 o 67.131  5.7665  574.238    93.016   539.642    218.094  581.930    102.839  57.219  15.378  67.227  6.3809  -10.00767      16.64961 
1 1 1 -13 -19 62 o 36.845  8.3224  185.640    72.646   114.618    166.211  202.411    80.769   32.323  13.257  38.251  8.8741  -5.928341      15.95331 
1 1 1 -13 -19 63 o 27.096  8.8783  97.969     67.340   202.860    150.993  71.926     75.237   36.925  13.252  24.866  9.2830  12.05912       16.17963 
1 1 1 -13 -19 64 o 25.448  10.118  66.049     93.507   84.596     355.985  64.674     96.910   36.768  16.992  25.574  10.256  11.19430       19.84744 
1 1 1 -13 -18 1  o 227.604 5.2680  6308.85    290.931  6117.73    424.916  6477.51    399.166  223.616 7.8313  230.259 7.1445  -6.643143      10.60067 
1 1 1 -13 -18 2  o 69.746  3.3417  591.054    56.552   706.455    88.970   512.818    73.255   76.036  4.8476  64.751  4.6945  11.28513       6.748187 
1 1 1 -13 -18 3  o 260.233 5.7639  8252.16    363.950  8103.13    527.107  8387.94    503.137  257.227 8.4453  261.857 7.9188  -4.629578      11.57717 
1 1 1 -13 -18 4  o 160.542 4.2648  3134.31    166.132  2867.49    246.094  3357.73    225.186  153.301 6.6160  166.024 5.5900  -12.72299      8.661335 
1 1 1 -13 -18 5  o 316.076 13.819  12420.38   1059.81  12420.38   1059.81  0.0000     0.0000   316.076 13.819  ?       ?       0.000000       13.81884 
1 1 1 -13 -18 6  o 222.624 10.614  6100.02    573.333  6100.02    573.333  0.0000     0.0000   222.624 10.614  ?       ?       0.000000       10.61379 
1 1 1 -13 -18 7  o 92.539  7.4967  1053.12    166.883  1053.12    166.883  0.0000     0.0000   92.539  7.4967  ?       ?       0.000000       7.496727 
1 1 1 -13 -18 8  o 234.169 7.5156  6700.75    427.029  6663.46    621.099  6734.17    588.074  232.562 11.007  233.998 10.358  -1.435455      15.11378 
1 1 1 -13 -18 9  o 131.861 5.3695  2117.21    171.795  2151.63    258.642  2090.03    229.815  132.378 8.0911  130.611 7.2806  1.767044       10.88450 
1 1 1 -13 -18 10 o 122.397 3.6379  1820.59    108.040  2110.84    162.025  1588.22    144.975  131.688 5.0707  114.217 5.2312  17.47146       7.285444 
1 1 1 -13 -18 11 o 115.696 3.5989  1626.64    101.029  1737.19    151.862  1538.85    135.318  119.452 5.2395  112.447 4.9596  7.005180       7.214549 
1 1 1 -13 -18 12 o 181.278 4.4021  3996.71    193.628  4455.81    283.298  3594.23    265.253  191.187 6.1069  171.676 6.3678  19.51187       8.822850 
1 1 1 -13 -18 13 o 367.620 7.4843  16513.78   667.599  17889.38   954.425  15195.99   934.157  381.402 10.313  351.213 10.962  30.18918       15.05077 
1 1 1 -13 -18 14 o 250.820 5.5052  7662.08    335.040  8348.03    484.242  7032.17    464.040  261.339 7.6365  239.778 7.9759  21.56058       11.04226 
1 1 1 -13 -18 15 o 302.851 6.3729  11185.48   468.305  12349.85   672.595  10089.88   652.431  317.501 8.7306  286.771 9.3764  30.73077       12.81172 
1 1 1 -13 -18 16 o 304.223 6.3964  11287.44   472.159  12402.93   678.003  10237.06   657.918  318.165 8.7824  288.852 9.3871  29.31369       12.85493 
1 1 1 -13 -18 17 o 243.655 7.5619  7255.38    447.063  0.0000     0.0000   7255.38    447.063  ?       ?       243.655 7.5619  0.000000       7.561866 
1 1 1 -13 -18 18 o 361.505 10.526  16080.16   923.330  0.0000     0.0000   16080.16   923.330  ?       ?       361.505 10.526  0.000000       10.52637 
1 1 1 -13 -18 19 o 171.393 5.9329  3579.90    246.730  0.0000     0.0000   3579.90    246.730  ?       ?       171.393 5.9329  0.000000       5.932887 
1 1 1 -13 -18 20 o 114.763 3.8039  1600.81    105.924  1758.91    164.127  1487.94    138.669  120.165 5.6291  110.557 5.1693  9.608017       7.642500 
1 1 1 -13 -18 21 o 119.405 3.7046  1732.77    107.332  1805.67    159.681  1672.69    144.966  121.771 5.4044  117.226 5.0966  4.545761       7.428471 
1 1 1 -13 -18 22 f 130.839 3.8444  2080.79    122.047  2112.88    180.758  2053.90    165.456  131.700 5.6565  129.886 5.2500  1.814651       7.717377 
1 1 1 -13 -18 23 o 241.266 7.6745  7114.97    449.271  7197.08    641.653  7036.00    629.259  241.727 10.940  239.036 10.849  2.690796       15.40738 
1 1 1 -13 -18 24 o 99.021  5.0950  1196.63    122.000  1292.94    178.702  1112.56    166.965  102.645 7.2211  95.168  7.2859  7.477005       10.25811 
1 1 1 -13 -18 25 o 235.199 7.5828  6760.67    432.745  6548.62    618.439  6964.09    605.746  230.536 11.056  237.918 10.493  -7.382355      15.24256 
1 1 1 -13 -18 26 o 314.537 6.6643  12071.28   508.618  12266.25   730.047  11887.39   709.003  316.134 9.5173  311.262 9.3877  4.871857       13.36816 
1 1 1 -13 -18 27 o 151.591 4.1965  2794.29    154.358  2509.41    228.128  3034.84    209.632  143.420 6.5555  157.855 5.4731  -14.43491      8.539884 
1 1 1 -13 -18 28 o 253.561 5.7080  7833.53    351.180  7629.77    507.593  8020.62    486.372  249.627 8.3803  256.091 7.8273  -6.463608      11.46715 
1 1 1 -13 -18 29 o 74.905  3.6699  681.932    66.700   776.696    103.437  614.481    87.267   79.679  5.3817  70.863  5.1097  8.816093       7.421026 
1 1 1 -13 -18 30 o 230.168 5.3425  6452.29    298.366  6381.03    433.521  6516.42    411.266  228.387 7.8230  230.912 7.3403  -2.524826      10.72751 
1 1 1 -13 -18 31 o 140.378 3.9600  2396.00    134.885  2349.65    192.878  2440.36    188.703  138.848 5.7251  141.528 5.4951  -2.680420      7.935486 
1 1 1 -13 -18 32 o 52.348  6.2614  339.043    77.953   202.063    130.176  415.626    97.335   40.244  12.241  57.899  7.0756  -17.65494      14.13862 
1 1 1 -13 -18 33 o 140.599 5.8219  2410.63    198.613  2518.77    307.759  2333.45    260.005  142.959 8.9167  137.834 7.8064  5.124619       11.85106 
1 1 1 -13 -18 34 o 66.744  5.5712  546.873    89.399   619.951    151.480  507.817    110.742  70.463  9.0706  64.027  7.2564  6.435684       11.61598 
1 1 1 -13 -18 35 o 33.011  4.8349  135.523    37.579   117.607    52.667   154.104    53.636   30.396  7.2439  34.952  6.5656  -4.556005      9.776509 
1 1 1 -13 -18 36 o 168.092 4.3416  3440.03    177.076  3538.78    253.880  3346.48    247.104  170.186 6.1481  165.497 6.1536  4.689697       8.698567 
1 1 1 -13 -18 37 o 36.197  4.5196  162.085    38.830   139.790    54.394   185.254    55.450   33.167  6.9800  38.458  6.1495  -5.291077      9.302498 
1 1 1 -13 -18 38 o 69.068  3.6035  582.079    60.180   561.114    85.368   602.790    84.849   67.589  5.2465  70.104  5.0214  -2.514275      7.262257 
1 1 1 -13 -18 39 o 64.194  3.6209  503.283    56.169   509.852    79.517   496.740    79.353   64.400  5.1313  63.552  5.1914  0.8483467      7.299375 
1 1 1 -13 -18 40 o 59.784  3.6469  436.975    52.649   463.901    74.989   410.799    73.936   61.391  5.0799  57.700  5.3416  3.690971       7.371439 
1 1 1 -13 -18 41 o 55.082  3.7518  371.570    49.845   429.331    70.947   315.272    70.044   59.028  5.0006  50.356  5.8412  8.671928       7.689260 
1 1 1 -13 -18 42 o 65.411  3.6238  523.315    57.290   515.289    81.400   531.194    80.647   64.622  5.2364  65.645  5.1033  -1.023415      7.311865 
1 1 1 -13 -18 43 o 127.135 3.8307  1973.52    118.170  1857.93    169.761  2082.19    164.595  122.883 5.6936  130.236 5.2086  -7.353577      7.716614 
1 1 1 -13 -18 44 o 127.327 3.9213  1981.52    121.148  2013.56    174.895  1951.96    167.973  127.849 5.6379  125.925 5.4975  1.923943       7.874496 
1 1 1 -13 -18 45 f 61.970  4.7316  474.074    70.608   419.924    90.036   560.573    113.795  57.840  6.5297  66.730  7.1388  -8.889923      9.674708 
1 1 1 -13 -18 46 o 115.985 5.1146  1656.55    143.940  1680.07    190.302  1625.11    220.045  115.971 6.7925  113.396 8.0497  2.574768       10.53258 
1 1 1 -13 -18 47 o 80.609  3.6191  794.619    70.786   816.896    101.302  773.363    98.953   81.243  5.1657  79.033  5.1889  2.209717       7.321840 
1 1 1 -13 -18 48 o 16.484  6.1502  26.067     33.016   0.1596     44.177   58.845     49.691   15.482  6.6206  22.376  7.6322  -6.894584      10.10359 
1 1 1 -13 -18 49 o 62.712  3.9045  483.737    59.118   524.349    82.849   441.607    84.382   64.936  5.3045  59.369  5.9373  5.567051       7.961757 
1 1 1 -13 -18 50 o 95.331  3.9819  1114.70    92.106   1067.89    128.465  1164.23    132.127  92.597  5.7461  96.737  5.6536  -4.140205      8.061072 
1 1 1 -13 -18 51 o 106.980 6.4301  1435.56    166.134  1077.60    279.293  1631.57    206.674  87.871  13.534  113.378 7.5559  -25.50742      15.50018 
1 1 1 -13 -18 52 o 56.875  7.4018  415.405    99.726   596.461    176.615  330.660    120.831  66.094  11.426  49.347  10.418  16.74713       15.46294 
1 1 1 -13 -18 53 o 58.454  4.3047  423.372    60.625   444.124    81.121   397.119    91.242   59.423  5.6960  55.703  6.8982  3.719910       8.945962 
1 1 1 -13 -18 54 o 48.164  4.5947  289.495    53.045   275.044    68.389   311.318    84.041   46.401  6.2318  48.985  7.2931  -2.584850      9.592940 
1 1 1 -13 -18 55 o 48.941  4.5347  299.091    53.237   274.424    69.401   334.361    82.985   46.233  6.3545  50.873  6.9010  -4.639252      9.381025 
1 1 1 -13 -18 56 o 9.7963  4.7276  -51.3253   33.799   -46.0201   39.791   -65.0717   64.051   11.327  5.3744  14.608  6.8973  -3.280437      8.744006 
1 1 1 -13 -18 57 o 56.530  4.7630  400.790    64.722   344.846    84.750   479.072    100.253  51.457  6.9670  60.798  6.9191  -9.340862      9.818968 
1 1 1 -13 -18 58 o 14.629  6.1406  6.6211     36.828   23.114     43.397   -35.8238   69.618   17.317  6.8905  16.756  7.6594  0.5610218      10.30269 
1 1 1 -13 -18 59 o 45.324  4.6299  258.568    50.203   257.972    62.913   259.612    83.297   44.765  5.9387  43.877  8.1232  0.8881989      10.06249 
1 1 1 -13 -18 60 o 28.063  9.7711  102.686    81.601   243.111    162.459  55.303     94.369   39.823  13.791  24.962  10.082  14.86130       17.08344 
1 1 1 -13 -18 61 o 71.592  5.3642  647.975    92.504   633.441    192.925  652.313    105.412  65.287  12.635  71.389  6.1454  -6.102119      14.05059 
1 1 1 -13 -18 62 o 67.567  5.5924  579.715    90.861   613.946    187.186  569.164    103.925  64.400  12.429  66.415  6.5335  -2.014687      14.04190 
1 1 1 -13 -18 63 o 20.818  9.4270  -30.7146   102.399  18.134     314.954  -36.4885   108.282  34.706  16.020  21.159  9.6253  13.54760       18.68895 
1 1 1 -13 -18 64 o 29.726  14.463  -264.0288  332.885  -264.0288  332.885  0.0000     0.0000   29.726  14.463  ?       ?       0.000000       14.46259 
1 1 1 -13 -17 1  o 61.510  3.3716  461.069    50.128   641.568    80.258   345.613    64.189   72.477  4.5874  53.048  5.0477  19.42858       6.820829 
1 1 1 -13 -17 2  f 190.784 4.7138  4428.50    218.211  4095.90    320.992  4714.26    297.535  183.128 7.2239  196.633 6.2362  -13.50467      9.543335 
1 1 1 -13 -17 3  f 207.073 4.9374  5218.25    248.076  4950.38    363.077  5452.81    339.750  201.295 7.4337  211.415 6.6231  -10.12033      9.956121 
1 1 1 -13 -17 4  o 341.112 10.316  14305.98   853.818  14305.98   853.818  0.0000     0.0000   341.112 10.316  ?       ?       0.000000       10.31584 
1 1 1 -13 -17 5  o 91.404  5.3269  1020.63    117.631  1020.63    117.631  0.0000     0.0000   91.404  5.3269  ?       ?       0.000000       5.326946 
1 1 1 -13 -17 6  f 88.880  7.5057  971.889    160.354  971.889    160.354  0.0000     0.0000   88.880  7.5057  ?       ?       0.000000       7.505724 
1 1 1 -13 -17 7  o 176.167 6.3359  3784.13    270.832  3389.73    399.632  4119.12    368.312  165.832 9.9782  183.476 8.2732  -17.64380      12.96190 
1 1 1 -13 -17 8  o 77.716  4.6695  737.380    87.644   928.889    138.166  608.436    113.373  87.018  6.5927  70.301  6.7285  16.71710       9.420005 
1 1 1 -13 -17 9  o 127.604 5.2809  1982.39    163.509  2180.85    248.083  1829.97    217.414  133.360 7.6994  122.181 7.3681  11.17902       10.65693 
1 1 1 -13 -17 10 o 35.249  3.6300  152.585    30.603   86.125     52.040   187.717    37.837   26.306  7.6767  39.087  4.0482  -12.78066      8.678710 
1 1 1 -13 -17 11 o 55.709  3.3259  378.393    44.753   361.562    71.288   389.340    57.494   54.213  5.4954  56.428  4.2299  -2.215569      6.934817 
1 1 1 -13 -17 12 f 206.144 4.8193  5170.80    241.055  5346.30    350.450  5013.19    332.097  209.290 6.9010  202.691 6.7525  6.598999       9.655104 
1 1 1 -13 -17 13 o 228.041 5.1372  6330.23    284.250  6859.62    411.560  5847.37    393.058  237.012 7.1565  218.777 7.4044  18.23505       10.29762 
1 1 1 -13 -17 14 o 419.131 8.4422  21506.40   858.553  23285.68   1224.32  19784.88   1204.28  434.378 11.616  399.918 12.411  34.46060       16.99880 
1 1 1 -13 -17 15 o 171.393 4.2944  3572.25    178.592  4184.55    262.674  3045.88    243.544  185.316 5.8417  158.042 6.3510  27.27367       8.629045 
1 1 1 -13 -17 16 o 397.954 11.498  19537.27   1110.21  0.0000     0.0000   19537.27   1110.21  ?       ?       397.954 11.498  0.000000       11.49767 
1 1 1 -13 -17 17 o 226.202 7.1507  6248.06    392.474  0.0000     0.0000   6248.06    392.474  ?       ?       226.202 7.1507  0.000000       7.150724 
1 1 1 -13 -17 18 o 209.549 6.7729  5358.30    344.369  0.0000     0.0000   5358.30    344.369  ?       ?       209.549 6.7729  0.000000       6.772898 
1 1 1 -13 -17 19 o 60.470  3.7302  446.089    54.464   507.724    93.380   414.314    67.049   64.261  6.0604  58.158  4.7941  6.103127       7.727364 
1 1 1 -13 -17 20 o 43.320  3.8500  229.887    40.046   233.766    63.191   227.283    51.768   43.362  6.1809  42.918  5.0690  0.4441986      7.993610 
1 1 1 -13 -17 21 o 127.253 3.8197  1968.17    117.941  1955.60    175.126  1978.60    159.548  126.704 5.6963  127.494 5.1575  -0.7896500     7.684259 
1 1 1 -13 -17 22 o 83.501  3.4657  847.171    70.218   980.761    106.459  744.303    93.419   89.643  4.9132  78.050  4.9586  11.59239       6.980464 
1 1 1 -13 -17 23 o 176.437 6.3053  3795.44    269.934  3540.83    387.224  4036.12    376.491  169.643 9.4447  181.571 8.5456  -11.92816      12.73698 
1 1 1 -13 -17 24 o 94.360  5.1068  1086.88    116.489  1164.03    170.434  1019.24    159.583  97.366  7.2664  91.072  7.2826  6.294563       10.28774 
1 1 1 -13 -17 25 o 93.565  5.1197  1068.71    115.789  1139.08    170.730  1008.78    157.562  96.296  7.3628  90.609  7.2268  5.686707       10.31682 
1 1 1 -13 -17 26 o 336.641 10.086  13924.21   823.880  13485.62   1171.28  14353.72   1159.10  328.994 14.673  339.784 14.059  -10.78967      20.32098 
1 1 1 -13 -17 27 o 187.627 4.5853  4282.28    208.749  4366.23    298.164  4201.57    292.353  189.205 6.4947  185.604 6.4917  3.601578       9.182744 
1 1 1 -13 -17 28 o 176.542 4.4173  3790.60    189.219  3754.50    270.332  3825.28    264.943  175.466 6.3495  177.139 6.1642  -1.672394      8.849461 
1 1 1 -13 -17 29 o 36.233  4.2525  161.822    36.675   159.422    51.188   164.353    52.572   35.665  6.1364  36.214  6.2063  -0.5484085     8.727739 
1 1 1 -13 -17 30 o 112.874 3.6379  1548.39    99.633   1591.02    142.847  1507.99    139.035  114.317 5.1499  111.294 5.1486  3.022713       7.282103 
1 1 1 -13 -17 31 o 87.611  3.5092  932.762    74.599   892.184    106.824  971.388    104.223  85.445  5.1769  89.210  4.8329  -3.764931      7.082203 
1 1 1 -13 -17 32 o 263.545 8.4293  8510.33    539.026  8230.16    789.940  8754.44    737.368  257.590 12.639  266.205 11.416  -8.615173      17.03100 
1 1 1 -13 -17 33 o 79.649  5.5476  776.822    106.544  408.111    174.647  995.380    134.463  56.217  13.054  90.118  6.1868  -33.90081      14.44583 
1 1 1 -13 -17 34 o 135.563 5.7805  2241.07    190.137  2317.68    296.377  2187.49    247.869  137.086 8.9595  133.454 7.6872  3.631821       11.80529 
1 1 1 -13 -17 35 o 88.297  3.5638  947.851    76.353   980.958    109.674  916.714    106.360  89.589  5.0661  86.593  5.0844  2.995445       7.177485 
1 1 1 -13 -17 36 o 31.744  4.9933  125.744    37.190   128.301    51.693   123.002    53.546   31.779  6.9015  31.081  7.2355  0.6983547      9.999152 
1 1 1 -13 -17 37 o 121.611 3.7748  1799.34    111.387  1703.55    159.598  1890.32    155.530  118.133 5.5679  124.496 5.1487  -6.362991      7.583565 
1 1 1 -13 -17 38 o 37.225  4.5393  171.373    40.152   176.793    56.065   165.666    57.530   37.492  6.3922  36.190  6.8012  1.301811       9.333653 
1 1 1 -13 -17 39 o 20.582  6.0790  52.663     32.459   71.514     43.827   29.761     48.308   23.937  7.0621  19.118  7.3682  4.818336       10.20603 
1 1 1 -13 -17 40 o 103.429 3.6650  1302.96    91.976   1302.21    131.925  1303.67    128.299  103.047 5.2942  103.264 5.1204  -0.2172165     7.365271 
1 1 1 -13 -17 41 o 56.629  3.7603  392.598    51.375   393.942    72.276   391.225    73.040   56.470  5.3381  56.258  5.4177  0.2118034      7.605737 
1 1 1 -13 -17 42 o 105.291 3.7045  1352.00    94.642   1285.57    135.456  1415.35    132.286  102.217 5.4815  107.487 5.0722  -5.270447      7.468207 
1 1 1 -13 -17 43 o 85.881  3.5627  899.646    74.241   880.857    106.331  917.519    103.704  84.566  5.2073  86.372  4.9693  -1.805214      7.197930 
1 1 1 -13 -17 44 o 75.405  3.5728  693.995    65.369   709.903    93.571   678.831    91.359   75.861  5.1133  74.176  5.1072  1.685028       7.226944 
1 1 1 -13 -17 45 o 103.649 4.8859  1319.55    122.878  1183.26    160.707  1511.38    190.659  97.356  6.8467  109.932 7.1873  -12.57568      9.926481 
1 1 1 -13 -17 46 o 167.900 6.0928  3491.46    248.216  3519.88    334.711  3456.72    369.998  167.161 8.2522  164.615 9.3014  2.546341       12.43440 
1 1 1 -13 -17 47 o 19.277  6.0244  45.799     31.279   44.366     42.769   47.447     45.863   20.015  7.0665  20.690  7.3162  -0.6745186     10.17163 
1 1 1 -13 -17 48 o 33.731  5.6079  144.271    44.286   157.524    56.861   123.836    70.608   34.938  6.9519  30.811  8.9279  4.127474       11.31534 
1 1 1 -13 -17 49 o 112.220 4.0014  1543.73    108.955  1499.36    154.052  1588.13    154.119  109.831 5.8012  113.261 5.6081  -3.429787      8.068746 
1 1 1 -13 -17 50 o 91.211  3.9044  1019.84    86.411   957.246    120.454  1086.20    124.031  87.688  5.6921  93.510  5.4906  -5.822166      7.908631 
1 1 1 -13 -17 51 o 34.075  9.7118  154.861    84.200   45.019     141.368  215.251    104.821  28.822  12.060  39.795  10.647  -10.97328      16.08739 
1 1 1 -13 -17 52 o 77.425  6.5248  756.377    121.437  765.909    208.211  751.463    149.498  74.800  11.868  76.341  8.1992  -1.541252      14.42516 
1 1 1 -13 -17 53 o 35.530  5.5471  160.619    46.259   155.499    59.399   168.510    73.744   34.420  7.3365  35.482  8.6451  -1.062115      11.33854 
1 1 1 -13 -17 54 o 25.933  6.7331  88.162     42.741   61.719     53.934   132.805    70.079   22.819  7.9439  31.457  8.8234  -8.638746      11.87256 
1 1 1 -13 -17 55 o 70.078  4.1394  608.201    70.073   651.587    95.269   557.065    103.429  71.996  5.4951  66.058  6.5387  5.937859       8.541133 
1 1 1 -13 -17 56 o 37.190  5.3507  176.252    46.894   131.171    62.161   235.790    71.437   31.191  8.1304  42.400  7.2013  -11.20862      10.86109 
1 1 1 -13 -17 57 o 46.075  5.0125  268.029    55.134   219.956    72.502   333.949    84.899   40.656  7.6298  50.567  7.1163  -9.911339      10.43336 
1 1 1 -13 -17 58 o 43.130  5.2673  236.531    53.978   277.030    70.189   177.912    84.445   46.238  6.4302  35.667  9.5621  10.57168       11.52305 
1 1 1 -13 -17 59 o 23.413  7.4944  70.871     48.150   38.603     53.977   196.569    106.534  20.119  7.7788  36.907  11.040  -16.78839      13.50497 
1 1 1 -13 -17 60 o 21.279  7.1607  56.152     43.735   47.007     48.844   93.137     98.224   20.532  7.5127  28.002  10.575  -7.469784      12.97213 
1 1 1 -13 -17 61 o 66.090  4.4509  545.378    70.960   551.929    95.302   537.227    106.302  65.716  6.0446  64.332  6.9187  1.383530       9.187254 
1 1 1 -13 -17 62 f 49.581  4.8543  309.861    57.650   276.231    74.534   359.940    90.954   45.924  6.9023  52.278  7.3752  -6.353558      10.10128 
1 1 1 -13 -17 63 o 25.152  10.463  46.124     105.531  1102.82    329.520  -74.6408   111.398  79.770  17.505  19.982  9.3264  59.78831       19.83472 
1 1 1 -13 -17 64 o 34.538  15.968  31.449     314.785  31.449     314.785  0.0000     0.0000   34.538  15.968  ?       ?       0.000000       15.96772 
1 1 1 -13 -16 1  o 366.496 7.7135  16416.92   685.938  15659.47   984.707  17130.92   956.052  356.392 11.387  373.178 10.558  -16.78629      15.52895 
1 1 1 -13 -16 2  o 212.266 5.0081  5483.30    257.937  5286.23    377.428  5656.00    353.319  208.020 7.4776  215.308 6.7631  -7.287369      10.08237 
1 1 1 -13 -16 3  o 235.424 7.8110  6774.64    446.191  6774.64    446.191  0.0000     0.0000   235.424 7.8110  ?       ?       0.000000       7.811006 
1 1 1 -13 -16 4  o 221.434 7.4785  5989.68    401.811  5989.68    401.811  0.0000     0.0000   221.434 7.4785  ?       ?       0.000000       7.478473 
1 1 1 -13 -16 5  o 137.365 5.8094  2298.71    193.630  2298.71    193.630  0.0000     0.0000   137.365 5.8094  ?       ?       0.000000       5.809424 
1 1 1 -13 -16 6  o 164.962 4.2875  3308.91    171.615  3069.16    252.344  3515.22    234.084  158.633 6.5559  169.882 5.6789  -11.24863      8.673497 
1 1 1 -13 -16 7  o 189.584 6.4961  4383.33    298.826  4568.56    440.880  4225.91    406.426  192.997 9.4147  185.701 9.0199  7.295563       13.03824 
1 1 1 -13 -16 8  o 166.576 5.9492  3381.17    240.456  3853.79    357.867  2992.19    324.666  177.467 8.3108  156.097 8.6052  21.36980       11.96319 
1 1 1 -13 -16 9  o 235.463 7.5382  6774.24    430.677  6908.07    627.754  6655.23    591.959  236.858 10.923  232.617 10.488  4.241135       15.14279 
1 1 1 -13 -16 10 o 103.365 4.9692  1300.24    124.630  1452.59    192.258  1189.81    163.679  108.814 7.3243  98.501  6.8918  10.31355       10.05698 
1 1 1 -13 -16 11 o 129.671 3.7616  2043.58    118.354  2105.65    176.041  1992.37    159.879  131.492 5.5176  127.937 5.1503  3.554459       7.547831 
1 1 1 -13 -16 12 o 157.726 4.1257  3024.59    157.895  3085.20    232.150  2972.41    215.386  159.109 6.0133  156.211 5.6825  2.897751       8.273479 
1 1 1 -13 -16 13 f 214.199 4.9450  5583.31    257.009  5808.10    372.813  5379.73    354.789  218.126 7.0440  209.943 6.9647  8.183594       9.905826 
1 1 1 -13 -16 14 o 72.356  3.4696  636.120    60.915   743.312    97.263   566.938    78.138   77.975  5.1701  68.099  4.7588  9.875854       7.026825 
1 1 1 -13 -16 15 o 67.964  4.4646  564.187    73.215   0.0000     0.0000   564.187    73.215   ?       ?       67.964  4.4646  0.000000       4.464616 
1 1 1 -13 -16 16 o 221.500 7.0543  5989.23    379.133  0.0000     0.0000   5989.23    379.133  ?       ?       221.500 7.0543  0.000000       7.054308 
1 1 1 -13 -16 17 o 169.228 5.9205  3489.61    243.106  0.0000     0.0000   3489.61    243.106  ?       ?       169.228 5.9205  0.000000       5.920527 
1 1 1 -13 -16 18 o 137.461 3.9575  2296.92    131.996  2441.29    198.015  2181.46    177.075  141.560 5.7649  133.844 5.4525  7.715973       7.934988 
1 1 1 -13 -16 19 o 111.043 3.6260  1498.42    97.697   1587.27    145.457  1425.40    131.869  114.185 5.2500  108.222 5.0219  5.963158       7.265093 
1 1 1 -13 -16 20 o 236.635 5.3540  6817.81    307.411  6883.95    443.700  6756.75    426.311  237.328 7.7051  235.177 7.4708  2.151169       10.73226 
1 1 1 -13 -16 21 o 165.563 4.2815  3333.07    171.996  3443.08    251.781  3236.83    235.511  168.067 6.1741  162.982 5.9554  5.084961       8.578247 
1 1 1 -13 -16 22 o 194.681 4.7290  4610.80    223.385  4639.92    324.777  4584.65    307.738  194.998 6.8642  193.885 6.5414  1.113632       9.481988 
1 1 1 -13 -16 23 o 154.812 4.7410  2915.69    178.091  2782.23    218.463  3180.08    307.491  151.107 5.9584  161.292 7.8570  -10.18469      9.860734 
1 1 1 -13 -16 24 f 139.144 5.3413  2357.10    180.334  2422.54    245.691  2280.67    265.524  140.679 7.2221  136.334 8.0625  4.344467       10.82416 
1 1 1 -13 -16 25 f 211.126 6.8018  5438.35    348.441  5326.61    482.259  5560.40    504.001  208.380 9.5381  212.849 9.7588  -4.468979      13.64583 
1 1 1 -13 -16 26 o 246.721 7.8071  7440.01    467.367  8247.61    649.735  6574.11    672.781  259.045 10.337  230.437 12.075  28.60815       15.89494 
1 1 1 -13 -16 27 o 198.389 4.7849  4788.39    230.331  4773.77    328.181  4802.58    323.346  197.796 6.8381  198.412 6.7164  -0.6159973     9.584836 
1 1 1 -13 -16 28 o 348.683 7.3144  14848.17   618.835  15087.99   878.910  14612.40   871.468  350.335 10.339  344.735 10.418  5.600372       14.67813 
1 1 1 -13 -16 29 o 82.883  3.4214  834.654    68.807   818.471    98.452   850.107    96.202   81.858  4.9804  83.454  4.7707  -1.595451      6.896693 
1 1 1 -13 -16 30 o 221.049 5.0828  5947.71    272.617  5942.55    388.500  5952.72    382.643  220.574 7.2589  220.787 7.1426  -0.2121735     10.18375 
1 1 1 -13 -16 31 o 291.615 6.2703  10370.38   443.671  9924.72    630.786  10806.72   624.157  284.458 9.1390  296.993 8.6613  -12.53522      12.59126 
1 1 1 -13 -16 32 o 105.751 5.5263  1366.06    141.310  1131.14    224.062  1521.22    182.090  95.453  9.8140  111.429 6.7668  -15.97649      11.92071 
1 1 1 -13 -16 33 o 134.265 5.9444  2198.01    193.657  1739.21    299.044  2529.38    254.146  118.361 10.522  143.665 7.3149  -25.30357      12.81519 
1 1 1 -13 -16 34 o 107.493 5.6035  1412.18    145.645  1285.86    230.852  1495.71    187.721  101.854 9.4485  110.406 7.0441  -8.551865      11.78537 
1 1 1 -13 -16 35 o 210.283 4.9828  5385.98    254.238  5376.38    362.962  5395.23    356.225  209.661 7.1348  210.062 6.9890  -0.4016113     9.987519 
1 1 1 -13 -16 36 o 125.941 3.8225  1929.17    116.811  1788.72    167.161  2063.19    163.297  121.083 5.6897  130.105 5.1727  -9.021652      7.689579 
1 1 1 -13 -16 37 o 146.714 4.8587  2623.29    172.964  2741.76    211.602  2384.76    300.252  149.843 5.8200  138.857 8.9593  10.98537       10.68371 
1 1 1 -13 -16 38 o 71.911  3.5598  629.113    62.113   667.023    88.368   592.094    87.324   73.786  4.9647  69.461  5.2193  4.325150       7.203447 
1 1 1 -13 -16 39 o 98.256  3.6182  1175.08    86.262   1247.06    123.545  1106.61    120.498  101.066 5.0380  95.038  5.2457  6.027626       7.273151 
1 1 1 -13 -16 40 o 33.820  4.8904  142.550    38.966   56.810     53.915   236.308    56.380   22.702  7.9403  43.620  5.4455  -20.91787      9.628165 
1 1 1 -13 -16 41 o 88.217  3.6096  948.178    77.264   929.432    110.577  966.061    108.003  86.979  5.2643  88.728  5.0374  -1.749413      7.286157 
1 1 1 -13 -16 42 o 87.460  3.5850  932.430    76.078   943.800    108.996  921.628    106.239  87.624  5.1492  86.601  5.0781  1.023087       7.231959 
1 1 1 -13 -16 43 o 95.401  3.6416  1110.32    84.297   1072.86    121.368  1145.22    117.171  93.324  5.3826  96.523  5.0203  -3.198997      7.360396 
1 1 1 -13 -16 44 o 112.810 3.7743  1554.17    103.312  1588.74    148.624  1521.84    143.711  113.670 5.3886  111.268 5.3230  2.401360       7.574404 
1 1 1 -13 -16 45 o 27.510  6.6109  97.528     43.580   90.302     53.072   112.486    76.360   26.594  7.7501  29.856  9.4253  -3.262318      12.20248 
1 1 1 -13 -16 46 o 119.932 5.2374  1771.54    152.411  1863.67    200.964  1646.81    233.836  122.210 6.8041  113.961 8.5181  8.248940       10.90205 
1 1 1 -13 -16 47 o 53.494  4.0998  352.598    52.810   321.200    71.016   391.439    78.987   50.619  5.8923  55.938  5.9089  -5.319000      8.344714 
1 1 1 -13 -16 48 o 43.055  4.8875  230.995    50.155   199.053    65.588   275.977    77.833   39.338  7.1341  46.488  7.1274  -7.150116      10.08442 
1 1 1 -13 -16 49 o 53.749  4.3667  357.013    56.457   365.462    75.418   346.243    85.150   54.002  5.8492  52.227  6.8874  1.775070       9.036041 
1 1 1 -13 -16 50 o 49.128  4.7399  299.875    55.800   218.900    73.098   412.960    86.384   41.094  7.6112  57.256  6.3235  -16.16142      9.895331 
1 1 1 -13 -16 51 o 23.576  9.4815  39.987     83.084   12.884     139.033  55.042     103.620  27.066  11.663  26.462  10.608  0.6039848      15.76531 
1 1 1 -13 -16 52 o 53.627  7.7355  371.483    97.743   426.888    168.481  343.377    120.001  54.956  12.862  50.473  10.150  4.483109       16.38513 
1 1 1 -13 -16 53 o 59.975  4.2583  445.254    61.566   386.805    82.302   519.514    92.769   55.235  6.2509  64.195  6.0263  -8.959732      8.682773 
1 1 1 -13 -16 54 o 29.241  6.2328  111.244    42.870   116.921    56.167   103.320    66.353   29.684  7.7241  28.108  8.7729  1.576048       11.68864 
1 1 1 -13 -16 55 o 63.228  4.0855  495.141    62.343   504.105    86.855   485.615    89.539   63.187  5.7273  61.873  6.0412  1.313477       8.324550 
1 1 1 -13 -16 56 o 24.293  6.6006  77.513     39.919   71.767     53.480   84.742     59.988   23.866  7.9165  25.660  8.3783  -1.794582      11.52678 
1 1 1 -13 -16 57 o 63.619  4.4812  504.910    68.732   474.169    94.783   539.003    99.816   60.715  6.5370  64.827  6.4306  -4.112026      9.169734 
1 1 1 -13 -16 58 o 74.927  4.2915  698.635    77.697   692.291    108.980  705.193    110.803  73.622  6.1571  74.281  6.2045  -0.6586304     8.741037 
1 1 1 -13 -16 59 o 61.341  5.2760  475.497    77.764   417.504    93.808   602.895    139.038  56.616  6.9763  66.941  8.7711  -10.32467      11.20718 
1 1 1 -13 -16 60 o 18.754  7.1576  34.199     45.297   32.813     50.274   40.181     104.418  19.157  7.4793  24.833  10.376  -5.675571      12.79039 
1 1 1 -13 -16 61 o 48.228  5.1351  294.307    59.168   314.355    78.018   267.166    90.776   49.177  6.7138  44.271  8.7607  4.905373       11.03743 
1 1 1 -13 -16 62 o 55.600  4.6222  387.592    61.792   384.611    83.896   391.126    91.354   54.563  6.4624  54.726  7.0432  -0.1629028     9.558740 
1 1 1 -13 -16 63 o 45.264  17.707  364.145    282.200  364.145    282.200  0.0000     0.0000   45.264  17.707  ?       ?       0.000000       17.70667 
1 1 1 -13 -16 64 o 48.446  18.399  464.859    298.377  464.859    298.377  0.0000     0.0000   48.446  18.399  ?       ?       0.000000       18.39890 
1 1 1 -13 -15 1  o 160.342 4.8697  3128.06    189.458  2618.24    350.902  3337.83    225.085  145.698 9.9862  165.554 5.6033  -19.85674      11.45076 
1 1 1 -13 -15 2  o 273.496 8.7148  9158.09    578.327  9158.09    578.327  0.0000     0.0000   273.496 8.7148  ?       ?       0.000000       8.714820 
1 1 1 -13 -15 3  f 464.735 13.596  26787.65   1533.19  26787.65   1533.19  0.0000     0.0000   464.735 13.596  ?       ?       0.000000       13.59648 
1 1 1 -13 -15 4  o 206.701 7.1621  5215.68    359.210  5215.68    359.210  0.0000     0.0000   206.701 7.1621  ?       ?       0.000000       7.162110 
1 1 1 -13 -15 5  o 248.861 5.5393  7541.69    334.484  7650.94    484.114  7441.90    462.677  250.158 7.9757  246.775 7.7270  3.382904       11.10490 
1 1 1 -13 -15 6  o 115.590 3.6465  1623.61    102.274  1448.02    153.718  1763.07    136.996  108.868 5.8405  120.388 4.6899  -11.52039      7.490425 
1 1 1 -13 -15 7  o 22.892  5.3621  66.366     29.261   57.058     41.177   75.861     41.588   21.824  6.9247  24.562  6.7636  -2.737991      9.679737 
1 1 1 -13 -15 8  o 39.828  5.1779  196.297    48.854   182.936    84.204   203.076    59.982   37.887  9.2421  40.333  6.3381  -2.446899      11.20656 
1 1 1 -13 -15 9  o 246.170 7.8322  7407.19    467.824  7418.16    681.076  7397.39    643.710  245.317 11.442  245.178 10.820  0.1390839      15.74806 
1 1 1 -13 -15 10 o 130.532 5.3824  2074.41    170.474  2282.36    258.646  1914.69    226.678  136.430 7.8463  124.979 7.5098  11.45066       10.86105 
1 1 1 -13 -15 11 o 82.363  3.3108  824.082    66.164   966.706    101.374  718.238    87.329   89.022  4.7099  76.696  4.7155  12.32606       6.664782 
1 1 1 -13 -15 12 o 98.174  3.4324  1170.95    81.762   1426.76    124.041  974.421    108.725  108.301 4.7203  89.344  5.0359  18.95660       6.902274 
1 1 1 -13 -15 13 o 175.182 4.3651  3731.61    185.546  3895.86    271.315  3587.29    254.312  178.784 6.2543  171.576 6.1087  7.208008       8.742565 
1 1 1 -13 -15 14 o 50.227  4.5151  309.263    54.438   0.0000     0.0000   309.263    54.438   ?       ?       50.227  4.5151  0.000000       4.515083 
1 1 1 -13 -15 15 o 183.059 6.2034  4084.06    275.538  0.0000     0.0000   4084.06    275.538  ?       ?       183.059 6.2034  0.000000       6.203364 
1 1 1 -13 -15 16 o 89.307  4.6320  972.686    100.030  0.0000     0.0000   972.686    100.030  ?       ?       89.307  4.6320  0.000000       4.632041 
1 1 1 -13 -15 17 o 88.324  3.5919  947.904    76.977   1180.55    120.265  786.447    100.189  98.365  5.0560  80.219  5.1749  18.14630       7.234794 
1 1 1 -13 -15 18 o 138.375 3.9223  2327.34    131.694  2465.28    194.097  2209.66    179.271  142.277 5.6224  134.712 5.4845  7.565536       7.854373 
1 1 1 -13 -15 19 o 243.326 5.4616  7209.28    322.455  7388.30    464.908  7043.32    447.624  245.867 7.7930  240.083 7.6840  5.784180       10.94416 
1 1 1 -13 -15 20 o 43.973  3.5281  236.455    37.326   281.289    52.636   191.101    52.941   47.872  4.5877  39.201  5.7355  8.670959       7.344568 
1 1 1 -13 -15 21 o 23.831  5.0156  71.718     28.085   50.509     39.422   93.574     40.019   20.768  6.7925  27.171  6.2063  -6.402618      9.200861 
1 1 1 -13 -15 22 o 117.301 3.6977  1672.11    105.244  1725.83    150.495  1620.69    147.233  119.073 5.2089  115.385 5.2588  3.687836       7.401892 
1 1 1 -13 -15 23 o 235.923 5.2507  6775.21    300.573  6467.75    427.616  7075.47    422.577  230.076 7.6598  240.735 7.2344  -10.65842      10.53611 
1 1 1 -13 -15 24 o 201.337 6.5774  4943.58    321.324  4768.84    443.079  5137.42    466.681  197.246 9.2578  204.695 9.3961  -7.449158      13.19069 
1 1 1 -13 -15 25 o 457.043 13.147  25868.19   1457.92  26068.69   2048.91  25662.56   2074.95  454.220 18.591  450.277 18.992  3.943115       26.57619 
1 1 1 -13 -15 26 o 271.764 8.3540  9035.29    550.871  9458.65    766.604  8583.27    792.121  277.066 11.403  263.570 12.386  13.49637       16.83582 
1 1 1 -13 -15 27 o 152.026 4.1260  2809.71    152.200  2910.55    217.601  2713.12    212.960  154.576 5.8017  149.233 5.8812  5.342834       8.261272 
1 1 1 -13 -15 28 o 148.312 4.0883  2674.04    147.123  2780.98    210.208  2571.36    205.982  151.101 5.7335  145.283 5.8432  5.817566       8.186301 
1 1 1 -13 -15 29 o 178.542 4.4165  3876.65    191.329  4026.77    273.492  3732.76    267.760  181.755 6.2015  174.980 6.3066  6.775223       8.844835 
1 1 1 -13 -15 30 o 67.176  3.6750  550.031    59.674   529.190    84.016   571.250    84.774   65.716  5.3145  68.314  5.1523  -2.597473      7.401997 
1 1 1 -13 -15 31 o 257.068 5.7417  8051.22    358.141  7955.23    509.620  8144.89    503.414  254.964 8.2377  258.037 8.0404  -3.073898      11.51119 
1 1 1 -13 -15 32 o 76.806  5.4062  721.975    100.110  885.913    164.929  626.338    125.971  84.706  8.1242  71.219  7.3976  13.48635       10.98759 
1 1 1 -13 -15 33 o 235.128 7.9386  6765.47    452.908  5977.78    668.352  7434.33    615.878  219.242 12.617  245.745 10.329  -26.50221      16.30550 
1 1 1 -13 -15 34 o 110.703 5.5955  1497.33    149.814  1492.42    241.136  1500.42    191.190  109.884 9.1267  110.570 7.1648  -0.6864929     11.60304 
1 1 1 -13 -15 35 o 256.970 5.6821  8051.43    354.287  7795.42    504.658  8300.23    497.495  252.155 8.2483  260.311 7.8765  -8.156586      11.40499 
1 1 1 -13 -15 36 o 159.725 4.3022  3104.83    166.735  3201.78    238.326  3011.89    233.352  161.950 6.0649  157.065 6.1230  4.885254       8.618297 
1 1 1 -13 -15 37 o 176.833 5.3794  3814.26    230.814  4058.45    282.648  3325.48    399.893  182.203 6.3933  163.704 10.117  18.49904       11.96785 
1 1 1 -13 -15 38 o 58.595  3.7485  419.482    53.015   403.162    74.987   435.790    74.963   57.208  5.4687  59.533  5.2430  -2.324867      7.575986 
1 1 1 -13 -15 39 o 57.533  3.7963  404.727    52.698   400.619    74.091   408.934    74.970   57.008  5.4215  57.601  5.4281  -0.5927582     7.671836 
1 1 1 -13 -15 40 o 135.422 3.9815  2234.80    130.827  2363.00    187.818  2113.97    182.337  138.959 5.5704  131.402 5.7189  7.556778       7.983418 
1 1 1 -13 -15 41 o 148.015 4.1647  2672.78    149.572  2663.61    214.436  2681.46    208.734  147.323 5.9988  147.866 5.8178  -0.5428162     8.356567 
1 1 1 -13 -15 42 o 102.250 3.6838  1274.72    91.395   1281.87    131.604  1268.05    127.021  102.127 5.3293  101.613 5.1689  0.5143051      7.424238 
1 1 1 -13 -15 43 f 74.894  3.7363  684.417    67.897   628.379    94.722   743.639    97.375   71.316  5.5168  77.691  5.1954  -6.374969      7.578069 
1 1 1 -13 -15 44 o 122.540 3.9451  1834.78    117.299  1756.86    166.874  1910.89    164.915  119.431 5.7585  124.653 5.4525  -5.222397      7.930301 
1 1 1 -13 -15 45 o 56.781  4.8664  398.619    66.398   308.021    83.292   556.566    109.976  49.276  7.1771  66.602  6.9056  -17.32608      9.959825 
1 1 1 -13 -15 46 o 109.515 5.1205  1475.92    136.066  1601.68    178.094  1299.59    210.888  113.424 6.4982  101.110 8.6801  12.31444       10.84302 
1 1 1 -13 -15 47 o 91.336  3.7372  1020.32    82.824   930.793    115.879  1113.81    118.425  86.653  5.5403  94.950  5.1596  -8.296570      7.570776 
1 1 1 -13 -15 48 o 117.077 4.0336  1679.39    114.585  1621.00    160.321  1740.35    163.830  114.291 5.8001  118.609 5.6926  -4.318336      8.126961 
1 1 1 -13 -15 49 o 64.279  4.2862  509.271    66.468   377.310    86.786   696.508    103.377  54.629  6.6869  74.788  5.7406  -20.15898      8.813017 
1 1 1 -13 -15 50 o 64.802  5.7009  524.253    88.726   332.419    184.042  582.338    101.271  48.347  14.521  68.155  6.1914  -19.80816      15.78597 
1 1 1 -13 -15 51 o 58.196  7.3101  432.407    100.947  500.160    173.452  397.705    124.136  60.197  12.291  54.781  9.6938  5.416424       15.65357 
1 1 1 -13 -15 52 f 52.616  7.5961  357.030    94.170   475.203    176.557  310.046    111.327  58.071  12.869  48.028  9.8826  10.04251       16.22561 
1 1 1 -13 -15 53 o 66.429  4.0532  544.774    65.018   522.096    90.351   569.132    93.637   64.430  5.8429  67.312  5.7895  -2.881325      8.225379 
1 1 1 -13 -15 54 o 18.318  6.5715  36.753     37.128   -0.3096    49.237   85.609     56.530   16.159  6.9518  25.782  8.1057  -9.623137      10.67845 
1 1 1 -13 -15 55 o 11.415  5.2439  -22.8897   33.188   -33.2631   42.715   -7.0901    52.717   12.658  5.8625  16.154  7.0684  -3.496581      9.183187 
1 1 1 -13 -15 56 o 54.846  4.3206  374.527    57.033   390.849    78.512   356.291    82.988   55.428  5.9297  52.583  6.6533  2.845043       8.912238 
1 1 1 -13 -15 57 o 51.663  4.9137  335.667    60.855   379.517    80.422   276.923    93.084   54.419  6.2014  45.165  8.8103  9.253391       10.77400 
1 1 1 -13 -15 58 o 34.813  6.1746  157.777    50.247   156.643    63.688   159.647    81.775   34.067  7.8642  33.876  9.5417  0.1905556      12.36490 
1 1 1 -13 -15 59 o 38.267  6.5090  191.262    58.273   188.859    67.663   198.164    114.659  37.535  7.6879  37.019  11.529  0.5157089      13.85691 
1 1 1 -13 -15 60 o 20.350  7.4010  46.342     47.300   25.743     52.691   131.840    107.346  18.763  7.5491  31.473  11.186  -12.70981      13.49520 
1 1 1 -13 -15 61 o 17.144  6.5787  27.202     38.396   46.519     44.856   -25.7463   74.263   20.166  7.2243  17.937  8.0838  2.228182       10.84151 
1 1 1 -13 -15 62 o 46.476  6.6666  281.214    73.025   281.214    73.025   0.0000     0.0000   46.476  6.6666  ?       ?       0.000000       6.666553 
1 1 1 -13 -15 63 o 39.408  16.643  216.410    273.241  216.410    273.241  0.0000     0.0000   39.408  16.643  ?       ?       0.000000       16.64300 
1 1 1 -13 -15 64 f 31.841  11.175  142.242    106.843  -3.1805    269.121  169.451    116.410  32.054  14.800  34.108  11.681  -2.053608      18.85465 
1 1 1 -13 -14 1  o 289.919 12.939  10400.14   910.200  10400.14   910.200  0.0000     0.0000   289.919 12.939  ?       ?       0.000000       12.93885 
1 1 1 -13 -14 2  o 317.768 9.7861  12390.05   754.541  12390.05   754.541  0.0000     0.0000   317.768 9.7861  ?       ?       0.000000       9.786072 
1 1 1 -13 -14 3  o 76.856  5.2385  722.270    97.107   722.270    97.107   0.0000     0.0000   76.856  5.2385  ?       ?       0.000000       5.238515 
1 1 1 -13 -14 4  o 97.705  3.4426  1159.80    81.613   1322.72    123.520  1033.57    108.727  104.266 4.8824  92.039  4.8860  12.22705       6.907303 
1 1 1 -13 -14 5  o 312.306 6.5665  11894.92   497.600  12470.79   715.115  11354.37   692.838  318.964 9.2400  304.303 9.3834  14.66077       13.16913 
1 1 1 -13 -14 6  o 138.989 3.8336  2347.82    129.284  2717.42    192.269  2042.80    174.667  149.408 5.3036  129.520 5.5579  19.88826       7.682344 
1 1 1 -13 -14 7  o 314.802 6.5878  12085.24   503.205  12922.26   722.220  11295.54   701.509  324.738 9.1658  303.490 9.5263  21.24802       13.21982 
1 1 1 -13 -14 8  o 249.538 7.8628  7609.44    476.078  7858.60    693.451  7387.30    654.766  252.616 11.313  245.019 11.013  7.596985       15.78884 
1 1 1 -13 -14 9  o 112.253 5.0986  1533.32    138.871  1765.33    214.016  1364.58    182.511  120.027 7.3844  105.503 7.1721  14.52425       10.29414 
1 1 1 -13 -14 10 o 140.329 5.6129  2397.61    191.117  2374.96    288.575  2415.30    255.075  139.072 8.5938  140.451 7.5120  -1.378510      11.41419 
1 1 1 -13 -14 11 o 73.879  3.2969  662.980    59.100   735.038    91.098   610.613    77.660   77.583  4.8639  70.717  4.5501  6.866623       6.660397 
1 1 1 -13 -14 12 o 427.829 8.6366  22389.90   896.559  23639.49   1277.36  21176.55   1258.70  437.924 12.021  414.205 12.524  23.71933       17.35975 
1 1 1 -13 -14 13 o 227.227 7.1805  6299.64    395.896  0.0000     0.0000   6299.64    395.896  ?       ?       227.227 7.1805  0.000000       7.180543 
1 1 1 -13 -14 14 o 226.735 7.1743  6272.33    394.696  0.0000     0.0000   6272.33    394.696  ?       ?       226.735 7.1743  0.000000       7.174321 
1 1 1 -13 -14 15 f 417.644 11.977  21498.24   1213.75  0.0000     0.0000   21498.24   1213.75  ?       ?       417.644 11.977  0.000000       11.97730 
1 1 1 -13 -14 16 o 71.857  3.5844  627.328    62.496   784.422    100.423  528.027    79.842   80.122  5.1935  65.686  5.0481  14.43562       7.242633 
1 1 1 -13 -14 17 o 137.533 4.5245  2300.16    150.989  2039.67    280.786  2406.12    179.086  128.757 9.0449  140.609 5.2491  -11.85207      10.45770 
1 1 1 -13 -14 18 o 113.789 3.5721  1573.16    98.625   1514.58    140.683  1629.79    138.302  111.558 5.1973  115.742 4.9246  -4.183571      7.159862 
1 1 1 -13 -14 19 o 246.052 5.5347  7371.40    330.435  7317.47    469.864  7424.17    464.790  244.693 7.9138  246.503 7.7709  -1.809738      11.09124 
1 1 1 -13 -14 20 o 313.487 6.6748  11986.04   507.714  11801.13   720.995  12167.92   715.074  310.192 9.5794  315.055 9.3541  -4.862976      13.38891 
1 1 1 -13 -14 21 o 138.664 3.8466  2336.87    129.421  2333.54    184.947  2340.07    181.170  138.436 5.5060  138.640 5.3856  -0.2045135     7.701984 
1 1 1 -13 -14 22 o 315.349 6.6368  12128.94   507.821  12196.83   721.211  12062.18   715.162  315.382 9.4246  313.646 9.3972  1.736115       13.30904 
1 1 1 -13 -14 23 o 82.145  3.3724  819.765    67.217   781.158    97.021   855.400    93.212   79.965  5.0260  83.736  4.6054  -3.771812      6.816879 
1 1 1 -13 -14 24 o 89.291  4.7446  972.589    102.426  1110.86    135.445  787.894    156.539  95.314  5.8854  79.860  8.1946  15.45321       10.08902 
1 1 1 -13 -14 25 o 320.326 9.5146  12581.73   739.512  12665.04   1032.75  12494.07   1059.41  319.769 13.311  317.382 13.757  2.387543       19.14214 
1 1 1 -13 -14 26 o 301.935 9.1287  11168.95   668.786  11695.32   932.568  10611.60   959.623  307.663 12.492  292.611 13.516  15.05209       18.40485 
1 1 1 -13 -14 27 f 68.978  3.4477  578.053    57.704   588.334    82.408   568.163    80.825   69.365  4.9284  68.160  4.9202  1.204521       6.963968 
1 1 1 -13 -14 28 o 104.517 3.5715  1327.30    90.575   1458.66    130.056  1203.58    126.215  109.494 4.8953  99.302  5.2570  10.19253       7.183287 
1 1 1 -13 -14 29 o 114.285 3.6718  1587.13    101.821  1614.58    146.706  1561.62    141.431  115.171 5.2498  113.274 5.1458  1.897530       7.351135 
1 1 1 -13 -14 30 o 303.472 6.4958  11230.73   478.312  11325.43   679.725  11137.84   673.195  303.958 9.2163  301.435 9.2041  2.523804       13.02520 
1 1 1 -13 -14 31 o 58.302  3.7580  414.827    52.879   374.649    74.062   456.608    75.525   55.180  5.6095  61.032  5.1480  -5.851906      7.613695 
1 1 1 -13 -14 32 o 47.253  6.6549  277.710    74.188   294.319    123.926  268.432    92.618   47.957  10.897  46.094  8.5973  1.863377       13.88043 
1 1 1 -13 -14 33 o 261.882 8.2829  8397.26    526.320  8651.08    773.017  8177.90    718.614  264.465 12.046  257.346 11.508  7.118988       16.66009 
1 1 1 -13 -14 34 o 116.305 5.6980  1648.65    160.800  1373.52    254.516  1831.42    207.446  105.181 10.097  122.240 7.0236  -17.05843      12.29942 
1 1 1 -13 -14 35 o 149.929 4.1332  2734.21    150.363  2774.73    214.927  2695.37    210.434  150.837 5.8724  148.670 5.8335  2.167526       8.277395 
1 1 1 -13 -14 36 o 239.041 5.4520  6966.40    316.221  7235.42    451.159  6706.60    443.350  243.037 7.6506  233.940 7.8105  9.097382       10.93321 
1 1 1 -13 -14 37 o 71.448  3.6913  622.519    63.776   681.112    91.197   566.438    89.220   74.582  5.0695  67.928  5.4592  6.653549       7.450053 
1 1 1 -13 -14 38 o 180.520 4.4769  3970.10    196.096  3992.90    280.853  3948.41    273.922  180.644 6.4075  179.664 6.2835  0.9800720      8.974356 
1 1 1 -13 -14 39 o 211.634 5.0352  5466.92    258.564  5486.52    369.669  5448.15    361.788  211.343 7.2088  210.649 7.0783  0.6937866      10.10293 
1 1 1 -13 -14 40 o 52.128  3.8890  332.862    48.835   368.151    68.994   297.432    69.131   54.630  5.2704  48.926  5.9455  5.703419       7.945204 
1 1 1 -13 -14 41 o 78.681  3.8422  754.593    73.353   753.565    101.511  755.716    106.114  78.273  5.3775  78.337  5.6201  -0.6333160E-01 7.778327 
1 1 1 -13 -14 42 o 115.342 3.8676  1622.76    108.241  1540.52    153.261  1704.61    152.893  111.898 5.6632  117.926 5.3433  -6.028343      7.786078 
1 1 1 -13 -14 43 o 79.007  3.8411  761.862    73.635   697.131    100.497  836.900    108.202  75.133  5.5519  82.384  5.4436  -7.250443      7.775350 
1 1 1 -13 -14 44 o 110.679 4.4892  1499.84    120.559  1503.83    146.609  1491.51    211.870  110.584 5.4639  108.999 8.0683  1.585587       9.744272 
1 1 1 -13 -14 45 o 39.078  5.6406  191.899    51.936   157.761    63.799   258.966    89.423   34.892  7.7384  44.710  8.5546  -9.818100      11.53531 
1 1 1 -13 -14 46 o 52.338  5.0819  340.008    63.723   387.975    79.437   253.423    106.726  55.715  5.9690  43.666  10.249  12.04879       11.86044 
1 1 1 -13 -14 47 o 52.863  4.2999  344.830    54.675   315.870    72.922   382.014    82.631   50.140  6.1209  55.158  6.2863  -5.017757      8.774021 
1 1 1 -13 -14 48 o 77.452  4.0597  736.940    76.029   694.653    101.284  791.526    115.073  74.763  5.6245  79.707  5.9939  -4.944382      8.219588 
1 1 1 -13 -14 49 o 37.795  5.5786  180.237    49.622   156.004    60.841   228.387    85.760   34.640  7.4591  41.693  8.7560  -7.052692      11.50243 
1 1 1 -13 -14 50 o 68.242  6.1800  583.650    101.220  613.674    188.720  571.525    119.929  67.224  12.011  67.024  7.5032  0.1997375      14.16171 
1 1 1 -13 -14 51 o 68.916  6.4834  598.186    107.140  426.337    201.384  666.029    126.533  54.150  14.872  72.405  7.3020  -18.25443      16.56782 
1 1 1 -13 -14 52 o 64.517  4.3962  514.827    68.411   572.175    85.325   411.611    114.469  67.770  5.2293  56.085  8.6930  11.68570       10.14460 
1 1 1 -13 -14 53 o 51.386  4.3549  327.722    53.787   299.105    71.876   364.144    81.088   48.493  6.2543  53.534  6.3675  -5.040245      8.925344 
1 1 1 -13 -14 54 o 60.799  4.1684  457.732    61.123   429.282    82.877   491.663    90.509   58.264  5.9456  62.342  6.0599  -4.078693      8.489610 
1 1 1 -13 -14 55 o 53.751  4.3144  359.256    55.796   338.472    77.588   381.517    80.296   51.444  6.3506  54.739  6.1521  -3.295006      8.841893 
1 1 1 -13 -14 56 f 28.001  6.2761  102.799    41.586   134.592    55.813   63.124     62.350   31.794  7.3773  23.440  8.5015  8.353716       11.25611 
1 1 1 -13 -14 57 o 14.258  6.1366  -0.4755    38.402   -3.6495    45.568   7.3031     71.337   15.216  6.6165  19.606  8.3993  -4.389501      10.69236 
1 1 1 -13 -14 58 o 30.312  6.7333  121.655    48.235   94.615     60.264   169.860    80.464   26.722  8.3639  34.998  9.3121  -8.276104      12.51677 
1 1 1 -13 -14 59 o 37.009  6.8126  180.146    58.922   141.526    66.969   312.497    123.976  32.195  8.4617  46.596  11.120  -14.40087      13.97345 
1 1 1 -13 -14 60 o 40.048  6.3330  208.134    59.492   197.394    68.962   239.384    117.632  38.435  7.6635  40.593  11.448  -2.157410      13.77607 
1 1 1 -13 -14 61 o 46.261  5.0125  270.289    55.364   255.984    72.368   290.477    85.971   44.216  6.9767  46.725  7.8622  -2.509102      10.51133 
1 1 1 -13 -14 62 o 13.222  5.9619  -17.5638   40.450   -17.5638   40.450   0.0000     0.0000   13.222  5.9619  ?       ?       0.000000       5.961859 
1 1 1 -13 -14 63 o 64.938  19.179  807.513    323.104  807.513    323.104  0.0000     0.0000   64.938  19.179  ?       ?       0.000000       19.17947 
1 1 1 -13 -13 1  o 255.320 11.726  8036.17    726.414  8036.17    726.414  0.0000     0.0000   255.320 11.726  ?       ?       0.000000       11.72562 
1 1 1 -13 -13 2  o 237.999 11.072  6971.57    639.393  6971.57    639.393  0.0000     0.0000   237.999 11.072  ?       ?       0.000000       11.07205 
1 1 1 -13 -13 3  o 195.332 4.7399  4641.35    224.652  4436.64    328.438  4821.34    307.961  190.659 7.0996  198.867 6.3822  -8.208344      9.546504 
1 1 1 -13 -13 4  o 308.907 7.4587  11653.47   559.056  12813.61   983.401  11099.50   679.547  321.967 12.588  300.924 9.3068  21.04251       15.65479 
1 1 1 -13 -13 5  o 176.145 4.3664  3772.66    186.620  3998.46    273.836  3576.83    255.010  181.130 6.2307  171.327 6.1344  9.803772       8.743657 
1 1 1 -13 -13 6  o 146.808 3.9419  2619.45    140.418  2956.63    207.703  2335.61    190.565  155.840 5.4929  138.494 5.6708  17.34598       7.894932 
1 1 1 -13 -13 7  o 195.607 4.6874  4653.37    222.475  4503.85    324.011  4786.74    306.014  192.156 6.9493  198.185 6.3636  -6.029022      9.422786 
1 1 1 -13 -13 8  o 164.506 5.9987  3296.09    239.444  3528.83    357.238  3106.25    322.648  169.631 8.7087  159.187 8.3828  10.44402       12.08778 
1 1 1 -13 -13 9  f 274.996 8.4275  9243.66    562.325  9695.26    815.304  8833.92    776.603  280.566 11.976  267.822 11.951  12.74411       16.91883 
1 1 1 -13 -13 10 o 238.419 7.6535  6938.23    442.757  6934.62    645.849  6941.42    608.154  237.538 11.206  237.832 10.539  -0.2932434     15.38263 
1 1 1 -13 -13 11 o 199.056 6.6333  4828.69    320.383  5439.53    472.560  4309.08    435.843  210.830 9.2376  187.341 9.6206  23.48920       13.33752 
1 1 1 -13 -13 12 o 73.208  4.4211  653.860    78.165   0.0000     0.0000   653.860    78.165   ?       ?       73.208  4.4211  0.000000       4.421113 
1 1 1 -13 -13 13 o 47.183  4.5399  273.142    51.334   0.0000     0.0000   273.142    51.334   ?       ?       47.183  4.5399  0.000000       4.539904 
1 1 1 -13 -13 14 o 71.250  4.4688  619.548    76.867   0.0000     0.0000   619.548    76.867   ?       ?       71.250  4.4688  0.000000       4.468849 
1 1 1 -13 -13 15 o 210.244 4.8623  5375.63    248.044  5628.15    353.963  5131.96    347.694  214.881 6.7889  205.162 6.9845  9.718735       9.740235 
1 1 1 -13 -13 16 o 248.937 5.5951  7542.64    337.958  7973.59    481.105  7122.83    474.846  255.568 7.7583  241.482 8.1041  14.08698       11.21911 
1 1 1 -13 -13 17 o 280.499 5.9920  9581.81    407.816  9714.59    579.586  9451.61    573.934  281.901 8.4734  278.051 8.5069  3.850037       12.00691 
1 1 1 -13 -13 18 o 167.769 4.2306  3421.42    172.218  3551.54    245.784  3295.92    241.382  170.769 5.9317  164.497 6.0476  6.272644       8.471049 
1 1 1 -13 -13 19 o 206.723 4.8750  5198.35    244.526  5273.48    348.221  5125.26    343.451  207.934 6.9018  204.991 6.9050  2.943497       9.762939 
1 1 1 -13 -13 20 o 149.597 3.9886  2720.03    144.779  2717.58    206.534  2722.40    203.009  149.388 5.6978  149.531 5.5953  -0.1424103     7.985765 
1 1 1 -13 -13 21 f 181.676 4.4384  4013.58    195.656  4013.85    278.963  4013.31    274.490  181.466 6.3356  181.467 6.2340  -0.1373291E-02 8.888328 
1 1 1 -13 -13 22 o 313.711 6.5317  12000.15   497.190  12124.13   705.928  11878.11   700.369  314.532 9.2498  311.317 9.2717  3.214996       13.09668 
1 1 1 -13 -13 23 o 188.172 4.5288  4306.28    206.778  4328.11    294.543  4285.07    290.360  188.415 6.4427  187.484 6.3828  0.9306946      9.069093 
1 1 1 -13 -13 24 o 247.538 7.7890  7486.93    467.830  7855.65    648.678  7087.26    675.350  252.807 10.575  239.807 11.607  12.99998       15.70159 
1 1 1 -13 -13 25 o 254.585 7.9322  7920.93    489.995  8115.77    679.345  7709.65    707.424  256.868 10.900  250.113 11.657  6.754974       15.95887 
1 1 1 -13 -13 26 o 97.520  4.8183  1156.89    114.012  1177.20    151.155  1130.08    173.651  98.068  6.3872  95.910  7.5223  2.157928       9.868150 
1 1 1 -13 -13 27 o 67.778  3.5438  559.670    58.077   529.153    82.141   590.176    82.126   65.737  5.1921  69.478  4.9031  -3.741608      7.141265 
1 1 1 -13 -13 28 o 291.485 6.2788  10355.28   444.074  10328.60   630.906  10381.47   625.163  290.423 8.9530  291.197 8.8480  -0.7738342     12.58743 
1 1 1 -13 -13 29 o 95.138  3.6168  1099.79    83.491   1023.15    118.277  1175.92    117.873  91.524  5.3492  98.184  4.9639  -6.659599      7.297587 
1 1 1 -13 -13 30 o 287.856 6.1805  10098.88   431.682  9978.74    613.528  10216.68   607.499  285.453 8.8580  288.894 8.6665  -3.440857      12.39243 
1 1 1 -13 -13 31 o 111.912 3.6953  1522.00    100.345  1488.86    143.026  1554.12    140.818  110.587 5.3302  112.998 5.1360  -2.411598      7.401982 
1 1 1 -13 -13 32 o 214.212 7.2460  5604.00    376.621  5676.54    561.367  5544.63    507.884  214.463 10.823  212.479 9.8511  1.983429       14.63470 
1 1 1 -13 -13 33 o 312.564 9.4763  11993.03   718.688  12413.83   1046.65  11617.62   988.588  316.018 13.650  305.891 13.319  10.12698       19.07154 
1 1 1 -13 -13 34 o 112.577 5.5253  1544.09    150.926  1704.08    241.440  1441.47    193.362  117.625 8.5172  108.343 7.3996  9.281471       11.28257 
1 1 1 -13 -13 35 o 160.671 4.2590  3140.37    166.037  3188.77    237.036  3093.75    232.649  161.683 6.0421  159.259 6.0205  2.423920       8.529552 
1 1 1 -13 -13 36 o 241.751 5.4484  7124.69    319.598  7113.83    455.767  7135.19    448.285  240.962 7.7953  241.365 7.6545  -0.4036865     10.92508 
1 1 1 -13 -13 37 o 190.174 4.6118  4404.58    212.806  4499.62    304.337  4313.65    297.680  191.844 6.5380  187.839 6.5313  4.004883       9.241390 
1 1 1 -13 -13 38 o 133.468 4.0911  2168.66    132.490  2153.32    187.796  2183.85    186.945  132.760 5.8298  133.709 5.7622  -0.9487610     8.196949 
1 1 1 -13 -13 39 o 160.657 4.2627  3144.94    166.170  3088.76    236.859  3199.38    233.184  158.847 6.1454  161.713 5.9428  -2.866074      8.548804 
1 1 1 -13 -13 40 o 48.026  4.2728  283.423    49.271   350.960    65.630   196.199    74.585   53.351  5.1332  39.166  8.1151  14.18530       9.602360 
1 1 1 -13 -13 41 o 97.597  3.7800  1160.83    89.515   1050.80    125.644  1274.25    127.566  92.438  5.6286  101.926 5.1750  -9.488007      7.646075 
1 1 1 -13 -13 42 o 94.237  3.8195  1083.08    87.336   1152.41    122.973  1012.51    124.059  96.842  5.2530  90.659  5.6681  6.182770       7.727966 
1 1 1 -13 -13 43 o 28.763  6.0712  105.606    41.040   84.143     51.318   143.689    68.358   25.821  7.6482  33.301  8.4470  -7.479687      11.39501 
1 1 1 -13 -13 44 o 65.649  4.9394  531.555    78.103   528.203    97.471   537.568    130.549  65.125  6.2449  65.019  8.4767  0.1059494      10.52864 
1 1 1 -13 -13 45 o 47.803  5.2502  284.281    59.894   293.542    74.044   266.751    101.870  48.281  6.4844  45.084  9.6063  3.196526       11.59007 
1 1 1 -13 -13 46 o 133.870 5.5142  2209.88    179.115  2222.21    236.535  2193.32    274.241  133.229 7.3454  131.585 8.6373  1.643417       11.33835 
1 1 1 -13 -13 47 f 108.021 3.9325  1428.14    103.071  1294.61    145.878  1561.24    145.651  102.125 5.9123  112.529 5.3344  -10.40443      7.963119 
1 1 1 -13 -13 48 o 38.863  4.9519  188.763    45.634   221.401    59.915   143.671    70.424   41.856  6.0771  33.078  8.6693  8.777977       10.58712 
1 1 1 -13 -13 49 o 74.858  3.9831  688.448    72.087   611.410    98.799   776.149    105.416  70.012  5.8701  79.052  5.5306  -9.039688      8.065081 
1 1 1 -13 -13 50 o 59.782  6.7487  451.752    96.180   383.385    183.692  477.574    112.892  51.914  14.181  61.093  7.7932  -9.179001      16.18160 
1 1 1 -13 -13 51 o 47.183  7.3074  286.112    80.954   241.156    159.031  301.836    94.052   41.839  13.641  48.099  8.3624  -6.259048      15.99987 
1 1 1 -13 -13 52 o 38.208  5.0842  183.637    45.965   201.603    59.595   157.256    72.215   39.680  6.4081  34.366  8.6629  5.314064       10.77541 
1 1 1 -13 -13 53 o 49.151  4.4851  300.461    52.900   290.983    70.975   312.306    79.348   47.813  6.2688  49.364  6.8056  -1.550449      9.252810 
1 1 1 -13 -13 54 o 22.568  6.7089  65.489     39.434   21.489     50.216   136.273    63.692   18.203  7.3534  31.939  8.1821  -13.73551      11.00088 
1 1 1 -13 -13 55 f 16.565  6.3781  24.266     36.171   32.824     44.129   6.7461     63.141   18.578  7.0709  18.644  7.9424  -0.6576920E-01 10.63390 
1 1 1 -13 -13 56 o 87.577  3.9927  946.703    84.844   884.778    117.367  1014.49    122.793  83.687  5.8161  89.723  5.6695  -6.035759      8.122211 
1 1 1 -13 -13 57 o 36.721  6.0976  174.529    52.424   148.156    63.489   231.040    92.937   33.132  7.9901  40.832  9.5507  -7.699757      12.45220 
1 1 1 -13 -13 58 f 15.378  6.2731  13.413     36.960   21.633     42.872   -10.3783   72.936   17.120  6.8370  18.659  8.2342  -1.539473      10.70268 
1 1 1 -13 -13 59 o 42.963  6.1035  237.852    61.838   252.734    72.076   196.345    120.372  43.928  6.9969  36.913  11.853  7.014412       13.76421 
1 1 1 -13 -13 60 o 39.528  6.5378  203.510    60.513   166.004    69.101   326.894    125.332  34.974  8.2725  47.830  11.025  -12.85633      13.78367 
1 1 1 -13 -13 61 o 19.092  7.5969  28.976     52.752   28.976     52.752   0.0000     0.0000   19.092  7.5969  ?       ?       0.000000       7.596870 
1 1 1 -13 -13 62 o 51.251  6.4661  339.678    78.620   339.678    78.620   0.0000     0.0000   51.251  6.4661  ?       ?       0.000000       6.466109 
1 1 1 -13 -13 63 o 29.398  10.718  111.881    99.287   109.155    264.498  112.328    107.120  35.494  15.671  29.718  11.080  5.775892       19.19253 
1 1 1 -13 -12 1  o 282.736 12.593  9878.22    863.925  9878.22    863.925  0.0000     0.0000   282.736 12.593  ?       ?       0.000000       12.59303 
1 1 1 -13 -12 2  o 256.357 8.1408  8035.21    506.378  7202.44    727.971  8815.91    704.843  241.148 12.484  267.720 10.850  -26.57196      16.54040 
1 1 1 -13 -12 3  o 166.974 4.2813  3389.67    173.454  3382.26    255.019  3396.06    236.617  166.584 6.3092  166.979 5.8401  -0.3945618     8.597257 
1 1 1 -13 -12 4  o 77.962  3.2916  738.307    62.266   611.591    95.785   831.044    81.942   70.651  5.6343  82.686  4.0842  -12.03519      6.958894 
1 1 1 -13 -12 5  o 48.173  3.2498  283.152    37.765   395.489    60.105   209.877    48.543   56.867  4.3900  41.243  4.9496  15.62302       6.615954 
1 1 1 -13 -12 6  o 201.269 4.7378  4926.30    231.376  5184.03    336.553  4695.33    318.614  206.218 6.7261  196.263 6.6906  9.955765       9.487039 
1 1 1 -13 -12 7  o 295.368 6.3237  10627.50   453.210  10687.57   650.417  10570.80   631.857  295.567 9.0693  294.005 8.8573  1.562469       12.67687 
1 1 1 -13 -12 8  f 101.884 5.0361  1262.49    124.498  1224.58    192.409  1289.79    163.288  99.837  8.0102  102.680 6.5888  -2.842812      10.37183 
1 1 1 -13 -12 9  o 30.301  6.1457  115.829    43.639   302.576    76.326   25.133     53.191   49.416  6.5252  19.388  7.6556  30.02781       10.05914 
1 1 1 -13 -12 10 o 114.938 5.2295  1606.83    145.844  1548.13    223.259  1650.54    192.625  112.309 8.2505  116.183 6.8634  -3.874504      10.73207 
1 1 1 -13 -12 11 o 133.257 7.3923  2171.74    238.083  0.0000     0.0000   2171.74    238.083  ?       ?       133.257 7.3923  0.000000       7.392317 
1 1 1 -13 -12 12 o 21.135  6.0343  55.657     32.477   0.0000     0.0000   55.657     32.477   ?       ?       21.135  6.0343  0.000000       6.034303 
1 1 1 -13 -12 13 o 14.630  5.6620  16.424     28.618   0.0000     0.0000   16.424     28.618   ?       ?       14.630  5.6620  0.000000       5.661971 
1 1 1 -13 -12 14 o 131.323 4.4360  2096.04    141.350  2063.84    264.768  2108.88    167.166  129.731 8.4575  131.678 5.2320  -1.946686      9.945010 
1 1 1 -13 -12 15 o 118.552 3.6847  1707.28    105.993  1911.83    152.914  1518.11    147.050  125.385 5.0262  111.709 5.4252  13.67606       7.395617 
1 1 1 -13 -12 16 o 41.226  3.7308  208.158    36.915   181.653    52.640   233.806    51.782   38.194  5.8679  43.565  4.9886  -5.371494      7.701823 
1 1 1 -13 -12 17 o 97.424  3.4596  1152.87    81.782   1234.52    116.985  1074.82    114.373  100.761 4.7849  93.872  5.0398  6.888786       6.949458 
1 1 1 -13 -12 18 o 306.385 6.5761  11438.90   488.875  11624.33   693.945  11256.20   688.830  308.186 9.2800  303.243 9.3617  4.942719       13.18184 
1 1 1 -13 -12 19 f 201.865 4.7657  4955.64    233.427  5049.38    332.168  4864.18    328.101  203.522 6.7264  199.749 6.7695  3.773361       9.543114 
1 1 1 -13 -12 20 o 44.394  3.8075  241.235    40.616   267.655    58.781   217.095    56.187   46.601  5.2923  41.849  5.6802  4.752499       7.763576 
1 1 1 -13 -12 21 o 86.681  3.4809  912.800    73.211   1019.91    105.074  811.745    102.063  91.448  4.7517  81.510  5.1875  9.938354       7.034868 
1 1 1 -13 -12 22 o 154.882 4.0190  2915.74    151.036  2846.61    215.111  2982.95    212.114  152.880 5.7989  156.520 5.5851  -3.640137      8.051153 
1 1 1 -13 -12 23 o 254.707 5.6505  7900.22    349.216  8117.44    496.163  7686.99    491.601  257.719 7.9344  250.759 8.0796  6.960129       11.32411 
1 1 1 -13 -12 24 o 284.303 8.5597  9889.69    590.481  9531.20    820.680  10274.47   850.237  277.905 12.171  288.548 12.144  -10.64322      17.19296 
1 1 1 -13 -12 25 o 316.073 9.4540  12244.88   725.046  12404.51   1010.50  12075.49   1040.92  316.621 13.153  312.114 13.745  4.507507       19.02438 
1 1 1 -13 -12 26 o 115.601 5.1177  1626.15    143.548  1714.57    190.688  1510.50    218.072  118.395 6.6650  110.865 8.1641  7.529236       10.53915 
1 1 1 -13 -12 27 o 171.725 4.4275  3585.72    184.482  3488.63    262.301  3680.75    259.514  169.180 6.3898  173.805 6.1537  -4.625290      8.871170 
1 1 1 -13 -12 28 o 252.481 5.5790  7761.41    341.784  7615.60    485.600  7904.56    481.143  249.625 8.0173  254.367 7.7956  -4.742462      11.18249 
1 1 1 -13 -12 29 o 99.000  3.6232  1190.88    87.036   1152.55    124.242  1227.82    121.965  97.168  5.2896  100.455 5.0038  -3.286942      7.281312 
1 1 1 -13 -12 30 o 87.981  3.6629  940.584    78.194   716.225    110.875  1162.60    110.294  76.436  6.0271  97.767  4.6494  -21.33107      7.612001 
1 1 1 -13 -12 31 o 94.951  3.6324  1095.54    83.687   1014.04    119.027  1175.21    117.687  91.104  5.4087  98.152  4.9576  -7.047409      7.337034 
1 1 1 -13 -12 32 o 78.443  5.5861  753.168    105.628  660.937    171.836  809.185    133.916  72.703  10.006  81.146  6.8659  -8.443398      12.13514 
1 1 1 -13 -12 33 o 88.785  5.4989  963.743    117.880  1035.48    196.513  923.420    147.330  91.484  8.9681  86.680  7.0665  4.803810       11.41764 
1 1 1 -13 -12 34 o 152.201 6.2393  2825.43    230.420  2505.03    354.688  3059.39    303.089  142.294 10.344  158.124 7.8996  -15.83040      13.01527 
1 1 1 -13 -12 35 o 196.748 4.8213  4712.39    230.164  4450.39    326.862  4970.07    324.158  190.829 7.0592  201.751 6.6218  -10.92233      9.678886 
1 1 1 -13 -12 36 o 103.283 3.8494  1297.26    96.468   1291.83    134.913  1302.95    137.992  102.804 5.4278  103.233 5.5291  -0.4284897     7.747980 
1 1 1 -13 -12 37 o 222.581 5.3208  6041.06    287.364  5980.10    409.128  6100.42    403.714  220.864 7.6343  223.128 7.4569  -2.263870      10.67182 
1 1 1 -13 -12 38 o 70.558  3.9015  607.716    66.535   631.869    91.011   579.987    97.514   71.774  5.2626  68.647  5.9121  3.127777       7.915020 
1 1 1 -13 -12 39 o 48.654  4.2878  290.654    50.102   282.394    65.307   302.469    78.107   47.721  5.7564  49.229  6.7140  -1.507729      8.843864 
1 1 1 -13 -12 40 o 51.207  4.2669  321.894    52.533   299.653    70.011   350.552    79.471   49.101  6.0013  53.106  6.2895  -4.005291      8.693285 
1 1 1 -13 -12 41 o 178.165 4.6558  3877.55    201.269  3725.19    286.714  4025.57    282.606  173.961 6.7926  180.973 6.4358  -7.011414      9.357278 
1 1 1 -13 -12 42 o 69.739  3.8864  595.085    65.502   628.753    88.557   554.416    97.331   71.469  5.1411  66.893  6.0625  4.575829       7.948848 
1 1 1 -13 -12 43 f 134.789 4.1378  2219.62    135.329  2167.73    191.707  2271.16    191.064  132.711 5.9534  135.891 5.7946  -3.180313      8.307867 
1 1 1 -13 -12 44 o 113.169 5.2019  1572.94    142.842  1618.77    186.168  1507.35    222.730  114.144 6.7519  109.401 8.4563  4.742790       10.82111 
1 1 1 -13 -12 45 o 133.103 5.4950  2181.80    177.468  2133.39    232.972  2248.74    273.928  130.650 7.3792  133.514 8.4999  -2.864380      11.25615 
1 1 1 -13 -12 46 f 52.554  5.2181  343.171    65.660   309.879    81.875   403.171    109.914  49.435  7.0232  56.070  8.3324  -6.634216      10.89746 
1 1 1 -13 -12 47 o 69.909  3.9598  600.068    66.894   574.504    91.483   629.444    98.064   67.994  5.5946  71.152  5.7287  -3.157303      8.007363 
1 1 1 -13 -12 48 o 21.745  6.6461  59.177     38.308   44.553     48.967   82.249     61.503   20.649  7.5272  25.879  8.4851  -5.229727      11.34262 
1 1 1 -13 -12 49 o 59.475  5.7104  441.594    81.394   315.970    179.773  473.987    91.287   47.468  14.373  61.484  6.2038  -14.01630      15.65477 
1 1 1 -13 -12 50 o 22.541  8.4333  50.886     62.160   -156.5362  138.129  103.558    69.606   20.811  9.9141  28.506  8.9988  -7.694796      13.38909 
1 1 1 -13 -12 51 o 65.948  6.7091  549.660    105.862  -210.2082  202.664  834.791    124.145  25.141  11.986  81.567  6.3220  -56.42649      13.55069 
1 1 1 -13 -12 52 o 33.412  5.6888  142.440    44.468   128.979    56.631   164.088    71.815   31.318  7.5424  35.129  8.5141  -3.811600      11.37443 
1 1 1 -13 -12 53 o 31.882  5.9080  130.723    44.021   170.808    58.232   77.267     67.247   36.257  6.8707  25.409  8.8689  10.84859       11.21887 
1 1 1 -13 -12 54 o 84.782  4.0172  885.252    82.640   781.009    112.864  1005.73    121.336  78.735  5.9517  89.576  5.6109  -10.84058      8.179497 
1 1 1 -13 -12 55 o 47.937  4.9910  288.676    57.202   267.499    73.610   320.959    90.884   45.434  6.8936  49.420  7.8410  -3.986073      10.44042 
1 1 1 -13 -12 56 o 25.245  7.2123  83.966     46.379   51.322     54.747   166.947    87.287   21.617  7.9470  34.719  9.8858  -13.10114      12.68401 
1 1 1 -13 -12 57 o 23.355  7.2447  70.591     45.328   55.625     52.435   114.854    90.174   21.873  7.8134  29.662  10.275  -7.788670      12.90815 
1 1 1 -13 -12 58 o 21.691  7.2934  58.165     45.370   58.180     52.796   58.123     88.719   22.174  7.8488  24.894  9.8688  -2.719980      12.60938 
1 1 1 -13 -12 59 o 54.270  5.5785  373.800    72.413   354.518    82.723   437.012    149.781  52.357  6.6626  55.130  11.566  -2.773685      13.34782 
1 1 1 -13 -12 60 o 47.413  6.6919  291.558    74.846   291.558    74.846   0.0000     0.0000   47.413  6.6919  ?       ?       0.000000       6.691894 
1 1 1 -13 -12 61 o 18.614  7.3107  29.445     48.266   29.445     48.266   0.0000     0.0000   18.614  7.3107  ?       ?       0.000000       7.310736 
1 1 1 -13 -12 62 o 74.468  6.2578  710.101    112.025  214.850    316.023  781.277    119.805  40.554  17.529  78.052  6.3817  -37.49857      18.65448 
1 1 1 -13 -12 63 o 50.896  10.235  367.787    122.016  539.506    288.242  330.298    134.678  52.969  18.369  47.034  11.816  5.934814       21.84111 
1 1 1 -13 -11 1  o 142.371 5.6451  2468.18    195.011  2053.69    285.860  2828.98    266.709  129.163 9.1810  152.245 7.2199  -23.08238      11.67979 
1 1 1 -13 -11 2  o 149.452 5.6705  2719.70    205.631  2569.59    299.581  2853.43    282.760  144.685 8.5717  152.859 7.6237  -8.173645      11.47145 
1 1 1 -13 -11 3  o 156.575 4.1371  2979.85    157.176  2869.30    232.444  3072.98    213.342  153.460 6.2425  158.885 5.5339  -5.425812      8.342232 
1 1 1 -13 -11 4  o 42.959  3.3923  225.563    35.072   166.808    55.878   263.757    45.052   36.448  6.5595  46.412  4.0409  -9.963505      7.704246 
1 1 1 -13 -11 5  o 249.834 5.5427  7595.82    335.997  7598.41    485.077  7593.43    465.848  249.459 8.0140  249.439 7.6969  0.1977539E-01  11.11152 
1 1 1 -13 -11 6  o 81.464  3.3262  805.995    65.748   778.664    99.738   826.998    87.436   79.845  5.1760  82.370  4.3906  -2.525330      6.787403 
1 1 1 -13 -11 7  f 262.390 5.7472  8378.11    365.907  8755.66    526.271  8024.80    509.098  267.838 8.0979  256.400 8.1831  11.43832       11.51260 
1 1 1 -13 -11 8  o 177.499 6.3296  3835.86    272.606  3814.80    403.790  3853.50    369.530  176.378 9.4698  177.645 8.5730  -1.267090      12.77391 
1 1 1 -13 -11 9  o 224.837 10.102  6186.65    551.084  0.0000     0.0000   6186.65    551.084  ?       ?       224.837 10.102  0.000000       10.10152 
1 1 1 -13 -11 10 f 153.129 5.9226  2853.14    220.055  2623.75    328.578  3039.71    296.325  146.239 9.3084  157.892 7.7347  -11.65306      12.10256 
1 1 1 -13 -11 11 o 183.640 8.7847  4117.50    391.435  0.0000     0.0000   4117.50    391.435  ?       ?       183.640 8.7847  0.000000       8.784717 
1 1 1 -13 -11 12 o 30.375  5.7877  115.976    41.099   0.0000     0.0000   115.976    41.099   ?       ?       30.375  5.7877  0.000000       5.787678 
1 1 1 -13 -11 13 o 188.874 6.4334  4342.71    294.834  0.0000     0.0000   4342.71    294.834  ?       ?       188.874 6.4334  0.000000       6.433434 
1 1 1 -13 -11 14 o 161.763 4.1993  3179.34    164.823  3355.79    234.958  3008.38    231.275  166.078 5.8306  157.228 6.0623  8.849792       8.411136 
1 1 1 -13 -11 15 o 219.148 5.0692  5839.37    269.551  5695.50    383.055  5980.48    379.376  216.175 7.3028  221.551 7.0572  -5.375549      10.15555 
1 1 1 -13 -11 16 o 187.765 4.5454  4285.07    207.085  4336.60    294.592  4234.74    291.163  188.717 6.4335  186.488 6.4346  2.229507       9.099093 
1 1 1 -13 -11 17 o 264.147 5.8233  8491.41    373.231  8360.47    529.779  8620.43    525.900  261.674 8.3439  265.749 8.1558  -4.074829      11.66784 
1 1 1 -13 -11 18 o 91.594  3.5130  1019.02    78.074   1028.63    111.174  1009.66    109.668  91.833  5.0082  90.982  4.9868  0.8512192      7.067555 
1 1 1 -13 -11 19 o 258.701 6.5405  8154.43    410.553  8705.75    699.220  7864.35    507.187  266.314 10.821  253.739 8.2379  12.57471       13.59966 
1 1 1 -13 -11 20 o 41.699  4.1302  213.400    41.240   282.661    57.643   140.779    59.025   47.944  5.0300  33.314  7.4846  14.62966       9.017804 
1 1 1 -13 -11 21 f 162.433 4.2554  3207.34    167.717  3064.86    238.318  3347.15    236.074  158.608 6.1925  165.787 5.8686  -7.178848      8.531553 
1 1 1 -13 -11 22 o 132.701 3.8411  2139.97    123.677  2134.32    176.025  2145.48    173.807  132.411 5.4788  132.764 5.3954  -0.3523254     7.689438 
1 1 1 -13 -11 23 o 140.245 4.0028  2390.62    136.211  2383.92    193.899  2397.16    191.389  139.915 5.7115  140.311 5.6216  -0.3961487     8.013933 
1 1 1 -13 -11 24 o 59.488  4.9661  433.522    71.026   435.135    91.903   431.131    111.923  59.397  6.4820  58.860  8.0476  0.5375137      10.33341 
1 1 1 -13 -11 25 o 246.016 7.7727  7393.36    463.979  7589.83    640.652  7176.63    672.863  248.527 10.624  241.409 11.487  7.118774       15.64673 
1 1 1 -13 -11 26 o 71.605  4.8492  626.545    83.755   551.676    108.713  735.876    131.373  66.920  6.7891  77.345  7.0787  -10.42416      9.808199 
1 1 1 -13 -11 27 o 163.264 4.2613  3240.44    168.808  3234.40    240.378  3246.31    237.116  162.939 6.0800  163.249 5.9861  -0.3100281     8.532329 
1 1 1 -13 -11 28 f 277.490 5.9655  9379.42    401.663  9152.27    570.272  9603.04    565.829  273.520 8.5927  280.247 8.3211  -6.727173      11.96139 
1 1 1 -13 -11 29 o 263.901 5.8249  8482.03    372.989  8346.04    529.869  8615.60    525.134  261.242 8.3591  265.479 8.1522  -4.236755      11.67619 
1 1 1 -13 -11 30 o 228.641 5.2239  6362.35    289.810  6470.79    412.347  6256.50    407.404  230.218 7.3818  226.367 7.4173  3.851044       10.46457 
1 1 1 -13 -11 31 o 134.548 4.0065  2200.49    130.798  2154.87    184.835  2246.24    185.118  133.014 5.7269  135.814 5.6175  -2.800552      8.022077 
1 1 1 -13 -11 32 o 140.380 6.0700  2401.63    206.755  2352.30    315.930  2438.58    273.442  138.169 9.4810  140.995 8.0260  -2.826309      12.42196 
1 1 1 -13 -11 33 o 52.396  7.4497  342.000    92.044   454.193    132.559  237.548    127.904  60.155  9.3885  43.180  11.849  16.97458       15.11780 
1 1 1 -13 -11 34 o 194.875 7.1286  4639.13    337.074  4176.93    504.858  5010.87    452.772  183.605 11.389  202.063 9.2348  -18.45866      14.66224 
1 1 1 -13 -11 35 o 161.884 4.3143  3188.04    169.465  3115.73    240.357  3259.51    238.969  159.807 6.1986  163.478 6.0244  -3.671066      8.643889 
1 1 1 -13 -11 36 o 309.093 6.7726  11676.00   507.932  11446.90   721.958  11900.54   714.747  304.849 9.7603  310.967 9.4727  -6.117706      13.60129 
1 1 1 -13 -11 37 o 135.633 4.1724  2238.81    137.315  2266.61    194.391  2211.13    193.996  136.263 5.8794  134.576 5.9410  1.686844       8.358417 
1 1 1 -13 -11 38 o 106.055 3.8867  1368.83    100.017  1293.65    140.245  1446.64    142.678  102.772 5.6457  108.869 5.4011  -6.097687      7.813225 
1 1 1 -13 -11 39 o 173.845 4.6355  3685.46    195.536  3538.67    278.008  3829.17    275.074  169.862 6.7452  176.789 6.4126  -6.926697      9.306940 
1 1 1 -13 -11 40 o 46.530  4.4334  266.453    49.448   277.432    65.351   251.749    75.630   47.252  5.8232  44.688  7.2212  2.563778       9.276637 
1 1 1 -13 -11 41 o 101.436 3.8549  1254.22    94.878   1127.35    133.165  1385.03    135.215  95.722  5.7602  106.381 5.2384  -10.65874      7.785940 
1 1 1 -13 -11 42 o 27.117  5.7918  93.672     36.950   137.256    48.699   34.539     56.726   32.860  6.3376  20.584  7.9700  12.27540       10.18268 
1 1 1 -13 -11 43 o 112.807 3.8755  1553.40    106.078  1569.12    151.130  1538.14    148.929  113.021 5.5110  111.906 5.4848  1.114723       7.775211 
1 1 1 -13 -11 44 o 15.854  6.4014  14.078     38.036   45.260     44.582   -69.3490   72.922   20.371  7.2123  16.032  7.5033  4.339903       10.40750 
1 1 1 -13 -11 45 o 99.909  5.0741  1229.66    122.601  1221.67    157.591  1241.90    195.132  99.069  6.5935  99.222  8.1779  -0.1532593     10.50490 
1 1 1 -13 -11 46 o 40.000  5.7833  201.450    54.502   137.671    66.065   337.338    96.432   32.476  8.3403  51.306  8.0077  -18.83008      11.56220 
1 1 1 -13 -11 47 o 64.477  4.1621  511.367    64.768   543.587    92.467   480.332    90.749   66.063  5.8283  61.988  6.1130  4.074417       8.446195 
1 1 1 -13 -11 48 o 53.176  4.6167  349.879    58.976   365.973    83.395   333.778    83.415   53.893  6.5092  51.327  6.8703  2.566940       9.464165 
1 1 1 -13 -11 49 o 88.205  6.0437  969.537    128.569  1100.79    230.141  909.990    155.013  91.664  10.539  84.785  7.6163  6.878792       13.00314 
1 1 1 -13 -11 50 o 76.644  6.1707  735.055    113.783  619.213    211.733  782.092    134.920  66.592  13.565  78.673  7.1457  -12.08175      15.33174 
1 1 1 -13 -11 51 o 117.646 5.6359  1717.70    160.881  3625.18    287.046  844.078    194.260  169.911 6.9625  79.932  10.252  89.97939       12.39310 
1 1 1 -13 -11 52 o 46.367  4.9659  268.766    55.000   246.041    69.370   307.231    90.251   43.798  6.7441  48.591  7.9281  -4.793663      10.40857 
1 1 1 -13 -11 53 o 65.415  4.4323  530.299    69.936   493.751    91.682   581.159    108.155  62.516  6.1227  67.624  6.6787  -5.108082      9.060473 
1 1 1 -13 -11 54 o 93.805  4.1789  1085.18    95.115   955.590    132.537  1222.79    136.579  86.914  6.3281  98.723  5.7263  -11.80944      8.534351 
1 1 1 -13 -11 55 o 82.658  4.2426  846.288    84.804   736.187    116.063  972.394    124.213  76.113  6.3423  87.817  5.8631  -11.70409      8.637165 
1 1 1 -13 -11 56 o 108.341 4.3227  1453.35    113.634  1387.09    156.295  1527.65    165.508  104.585 6.1865  109.729 6.2421  -5.143822      8.788463 
1 1 1 -13 -11 57 o 110.124 4.2769  1502.22    114.282  1408.74    157.919  1605.01    165.592  105.292 6.2087  112.505 6.0887  -7.212738      8.696001 
1 1 1 -13 -11 58 o 24.262  7.5980  76.491     49.724   54.901     53.598   209.862    133.214  21.870  7.8899  38.017  12.489  -16.14713      14.77224 
1 1 1 -13 -11 59 o 28.289  7.2668  106.776    50.143   78.999     56.203   215.142    111.010  24.799  8.1103  38.735  11.186  -13.93630      13.81667 
1 1 1 -13 -11 60 o 32.102  6.6908  135.760    50.426   135.760    50.426   0.0000     0.0000   32.102  6.6908  ?       ?       0.000000       6.690752 
1 1 1 -13 -11 61 o 24.063  6.9402  76.191     42.758   44.187     50.958   152.324    78.596   20.456  7.6391  33.195  9.3561  -12.73850      12.07861 
1 1 1 -13 -11 62 o 30.784  11.285  122.989    110.277  58.609     364.088  129.492    115.712  37.524  17.286  31.443  11.554  6.080839       20.79205 
1 1 1 -13 -10 1  o 170.848 6.1393  3555.97    254.501  3095.11    369.255  3973.00    351.256  158.628 9.6393  180.322 8.0280  -21.69469      12.54456 
1 1 1 -13 -10 2  f 126.709 5.1760  1953.35    159.135  1891.68    233.038  2007.24    217.834  124.234 7.7698  128.100 7.0352  -3.866692      10.48161 
1 1 1 -13 -10 3  o 214.985 4.9579  5621.14    258.622  5864.53    376.771  5404.28    355.637  219.308 7.0804  210.544 6.9615  8.763718       9.929459 
1 1 1 -13 -10 4  o 305.162 6.4839  11343.24   480.103  11389.87   690.161  11299.52   668.302  305.138 9.3216  303.995 9.0603  1.143372       12.99928 
1 1 1 -13 -10 5  o 395.715 8.1282  19111.13   780.445  18975.62   1114.39  19241.58   1093.34  393.066 11.684  395.935 11.381  -2.868988      16.31093 
1 1 1 -13 -10 6  o 289.030 7.0776  10178.55   496.359  10719.03   867.140  9915.17    605.339  295.391 12.098  284.943 8.7554  10.44830       14.93413 
1 1 1 -13 -10 7  f 121.794 3.6984  1801.66    109.295  1871.26    162.125  1743.67    147.975  124.046 5.3864  119.757 5.0924  4.288712       7.412576 
1 1 1 -13 -10 8  o 284.756 7.1008  9876.62    490.621  9760.96    604.331  10100.23   840.281  282.781 8.8077  286.885 12.071  -4.104675      14.94289 
1 1 1 -13 -10 9  o 55.481  5.1240  377.365    68.200   416.173    108.580  352.079    87.647   57.898  7.9379  53.329  6.9377  4.568779       10.54241 
1 1 1 -13 -10 10 o 332.699 13.877  13623.08   1120.27  0.0000     0.0000   13623.08   1120.27  ?       ?       332.699 13.877  0.000000       13.87733 
1 1 1 -13 -10 11 o 124.937 7.2408  1907.42    218.562  0.0000     0.0000   1907.42    218.562  ?       ?       124.937 7.2408  0.000000       7.240781 
1 1 1 -13 -10 12 o 130.097 5.2737  2057.63    166.475  0.0000     0.0000   2057.63    166.475  ?       ?       130.097 5.2737  0.000000       5.273704 
1 1 1 -13 -10 13 o 339.232 8.2596  14032.98   679.857  16097.06   1166.51  12971.23   836.636  361.862 13.286  325.612 10.589  36.25034       16.98950 
1 1 1 -13 -10 14 o 48.803  3.4795  290.687    40.933   322.072    58.280   260.132    57.504   51.262  4.7392  45.959  5.2508  5.302769       7.073213 
1 1 1 -13 -10 15 o 283.786 6.1297  9799.59    422.082  9856.46    598.993  9743.51    594.858  284.183 8.6868  282.552 8.6766  1.631042       12.27780 
1 1 1 -13 -10 16 o 129.383 3.8236  2033.35    120.037  2228.56    170.895  1843.26    168.643  135.382 5.2024  123.100 5.6461  12.28236       7.677451 
1 1 1 -13 -10 17 o 299.069 6.4258  10889.76   466.294  10816.86   661.177  10961.91   657.714  297.523 9.1587  299.537 9.0495  -2.013702      12.87534 
1 1 1 -13 -10 18 o 407.659 9.6159  20330.89   951.160  21397.28   1634.55  19784.91   1169.57  415.035 16.231  401.214 12.014  13.82120       20.19376 
1 1 1 -13 -10 19 o 312.479 6.6829  11896.74   506.700  12021.09   718.395  11773.64   714.784  313.442 9.4459  310.185 9.4971  3.257080       13.39472 
1 1 1 -13 -10 20 o 214.410 5.0271  5591.54    261.530  5384.81    371.330  5795.02    368.407  210.115 7.2835  218.021 6.9641  -7.906281      10.07709 
1 1 1 -13 -10 21 o 149.027 4.5989  2700.47    166.296  2819.72    276.462  2632.86    208.166  152.000 7.4960  147.049 5.8342  4.950485       9.498844 
1 1 1 -13 -10 22 o 176.049 4.4369  3768.33    189.528  3657.80    269.123  3877.08    266.956  173.245 6.4022  178.391 6.1674  -5.146317      8.889583 
1 1 1 -13 -10 23 o 265.762 5.8915  8602.52    379.909  8486.18    539.023  8717.36    535.539  263.417 8.4333  267.023 8.2657  -3.605865      11.80858 
1 1 1 -13 -10 24 o 25.103  7.0371  79.003     44.590   71.369     54.944   93.731     76.314   24.615  8.0174  28.424  9.4581  -3.808647      12.39896 
1 1 1 -13 -10 25 o 111.300 5.0706  1507.23    136.937  1461.01    181.379  1568.51    208.824  109.235 6.8784  113.077 7.6561  -3.842278      10.29214 
1 1 1 -13 -10 26 o 235.740 7.4285  6783.83    424.914  6460.55    584.292  7146.71    619.050  229.354 10.499  241.204 10.577  -11.85036      14.90352 
1 1 1 -13 -10 27 o 164.495 4.3318  3289.63    172.895  3255.48    245.844  3323.04    243.197  163.460 6.1985  165.162 6.0685  -1.702026      8.674563 
1 1 1 -13 -10 28 o 114.461 3.7761  1591.99    104.874  1574.72    149.730  1608.62    146.937  113.742 5.4253  114.971 5.2672  -1.228531      7.561567 
1 1 1 -13 -10 29 o 148.317 4.1702  2674.06    150.078  2650.88    214.169  2696.43    210.367  147.520 5.9833  148.798 5.8266  -1.277664      8.351623 
1 1 1 -13 -10 30 f 170.769 4.4768  3546.12    185.499  3338.62    261.905  3754.98    262.768  165.484 6.5226  175.545 6.1691  -10.06068      8.977868 
1 1 1 -13 -10 31 o 83.742  3.7653  852.211    76.509   857.905    105.247  845.831    111.415  83.798  5.2019  83.163  5.5533  0.6349487      7.609153 
1 1 1 -13 -10 32 o 111.400 5.7978  1515.80    156.175  1700.92    242.334  1384.30    204.247  117.581 8.5526  106.114 7.9914  11.46756       11.70510 
1 1 1 -13 -10 33 o 78.957  6.2396  764.748    118.565  704.465    185.222  806.598    154.327  74.988  10.465  80.829  7.9727  -5.841019      13.15590 
1 1 1 -13 -10 34 o 326.989 10.285  13157.22   815.993  11974.86   1187.37  14215.37   1123.27  308.569 15.913  338.048 13.694  -29.47885      20.99425 
1 1 1 -13 -10 35 o 172.639 4.4565  3626.31    186.678  3505.85    264.657  3745.59    263.353  169.482 6.4357  175.219 6.1943  -5.737610      8.932390 
1 1 1 -13 -10 36 o 264.122 5.8951  8510.63    377.802  8171.22    537.120  8842.99    531.508  258.003 8.5799  268.550 8.1568  -10.54691      11.83845 
1 1 1 -13 -10 37 o 177.167 4.5537  3822.29    195.753  3701.86    278.346  3940.15    275.351  173.997 6.5929  179.567 6.3197  -5.569550      9.132639 
1 1 1 -13 -10 38 o 110.593 3.8820  1488.54    104.172  1464.01    146.308  1513.75    148.357  109.364 5.5315  111.351 5.4910  -1.986984      7.794095 
1 1 1 -13 -10 39 o 157.913 4.3884  3039.45    168.147  3006.81    239.628  3071.11    236.004  156.675 6.3034  158.380 6.1412  -1.704849      8.800408 
1 1 1 -13 -10 40 o 37.388  4.8383  173.496    42.863   156.984    58.851   192.150    62.553   35.103  7.1522  38.987  6.8631  -3.883595      9.912478 
1 1 1 -13 -10 41 o 135.270 4.0847  2231.94    134.067  2186.79    191.115  2275.69    188.118  133.504 5.8998  136.244 5.6905  -2.739914      8.196898 
1 1 1 -13 -10 42 o 130.232 4.0610  2070.22    128.326  2143.17    184.069  2001.24    178.998  132.106 5.7424  127.647 5.7793  4.459167       8.147130 
1 1 1 -13 -10 43 o 83.207  3.7467  844.876    75.644   881.154    107.144  808.825    106.810  84.582  5.2466  80.969  5.4686  3.612480       7.578441 
1 1 1 -13 -10 44 o 15.086  6.2934  6.2452     38.330   29.934     44.834   -58.1031   73.893   18.590  7.1148  16.685  7.7219  1.904650       10.49986 
1 1 1 -13 -10 45 o 55.496  5.1762  381.836    68.897   399.646    84.939   347.581    117.799  56.502  6.3029  51.550  9.7755  4.952126       11.63133 
1 1 1 -13 -10 46 o 55.367  4.0380  377.123    53.873   398.981    75.658   354.641    76.730   56.613  5.5803  53.222  6.0492  3.391289       8.230021 
1 1 1 -13 -10 47 o 89.397  4.0020  978.343    86.808   1089.46    123.664  870.394    121.886  93.826  5.4555  83.637  6.0469  10.18933       8.144127 
1 1 1 -13 -10 48 o 55.616  4.4088  381.852    59.008   375.591    84.891   387.705    82.081   54.597  6.5381  55.586  6.1909  -0.9888535     9.004146 
1 1 1 -13 -10 49 o 47.102  5.6778  278.277    63.582   334.613    81.602   191.225    101.438  51.405  6.7016  37.798  10.620  13.60770       12.55810 
1 1 1 -13 -10 50 o 32.571  10.384  137.572    92.503   287.119    205.884  99.748     103.543  45.430  15.535  29.780  10.932  15.65015       18.99608 
1 1 1 -13 -10 51 f 139.006 6.8167  2423.96    229.915  2429.02    401.847  2421.50    280.333  133.627 12.540  137.518 8.4422  -3.890518      15.11733 
1 1 1 -13 -10 52 o 37.977  6.2790  184.804    55.837   253.331    73.714   92.551     85.528   44.323  7.0935  27.966  9.9801  16.35632       12.24417 
1 1 1 -13 -10 53 o 60.962  4.4914  461.226    65.969   441.842    86.943   487.527    101.277  59.084  6.1549  61.789  6.8716  -2.704163      9.225051 
1 1 1 -13 -10 54 o 64.242  4.5022  512.762    69.736   479.211    91.318   559.703    108.014  61.446  6.2101  66.158  6.8269  -4.711754      9.228895 
1 1 1 -13 -10 55 o 10.905  5.0724  -27.9052   32.505   -18.7188   35.893   -69.7800   76.634   12.290  5.5719  16.257  7.6353  -3.967213      9.452199 
1 1 1 -13 -10 56 o 34.531  6.3928  155.374    51.590   130.789    61.156   216.046    96.071   31.163  8.0360  39.343  10.033  -8.180416      12.85421 
1 1 1 -13 -10 57 o 47.947  5.2377  290.701    59.944   217.798    74.715   422.406    100.424  40.373  7.9099  56.835  7.4625  -16.46236      10.87451 
1 1 1 -13 -10 58 f 37.558  6.6027  184.179    57.975   217.910    66.293   74.492     119.544  40.786  6.9478  28.145  11.354  12.64098       13.31114 
1 1 1 -13 -10 59 f 42.334  7.0105  234.561    69.492   234.561    69.492   0.0000     0.0000   42.334  7.0105  ?       ?       0.000000       7.010510 
1 1 1 -13 -10 60 o 20.070  7.2045  45.598     44.633   45.598     44.633   0.0000     0.0000   20.070  7.2045  ?       ?       0.000000       7.204546 
1 1 1 -13 -10 61 o 31.241  6.4466  128.318    47.247   135.998    57.125   111.688    84.059   31.836  7.5156  29.121  9.9267  2.715130       12.45084 
1 1 1 -13 -10 62 o 22.325  9.6420  11.609     95.465   15.755     361.372  11.298     98.981   36.416  16.930  22.641  9.7981  13.77515       19.56094 
1 1 1 -13 -9  1  o 57.575  4.3432  405.223    60.228   318.732    91.179   472.172    80.220   50.540  7.6767  62.062  5.3804  -11.52149      9.374466 
1 1 1 -13 -9  2  o 107.368 4.7959  1401.68    124.941  1449.67    182.951  1359.74    171.036  108.836 6.9644  105.425 6.7212  3.411415       9.678708 
1 1 1 -13 -9  3  o 159.336 4.1439  3084.91    160.210  3100.63    236.048  3071.49    218.150  159.596 6.0956  158.881 5.6587  0.7144623      8.317310 
1 1 1 -13 -9  4  o 357.097 7.4047  15543.46   641.595  15855.64   917.704  15244.98   897.343  359.811 10.512  352.823 10.482  6.987579       14.84454 
1 1 1 -13 -9  5  o 129.656 3.7929  2041.86    119.323  2062.77    176.799  2024.38    161.705  130.229 5.5951  129.036 5.1648  1.193359       7.614444 
1 1 1 -13 -9  6  o 381.686 7.7900  17756.83   721.455  18258.76   1025.41  17264.80   1015.25  386.172 10.943  375.450 11.144  10.72159       15.61909 
1 1 1 -13 -9  7  o 196.081 4.6504  4671.87    221.253  4860.24    316.432  4491.69    309.483  199.842 6.5258  192.105 6.6395  7.736954       9.309588 
1 1 1 -13 -9  8  o 55.401  6.5908  378.744    86.859   0.0000     0.0000   378.744    86.859   ?       ?       55.401  6.5908  0.000000       6.590793 
1 1 1 -13 -9  9  o 176.704 8.5557  3807.24    366.830  0.0000     0.0000   3807.24    366.830  ?       ?       176.704 8.5557  0.000000       8.555663 
1 1 1 -13 -9  10 o 297.931 12.595  10884.26   910.476  0.0000     0.0000   10884.26   910.476  ?       ?       297.931 12.595  0.000000       12.59474 
1 1 1 -13 -9  11 o 390.515 16.012  18820.68   1517.19  0.0000     0.0000   18820.68   1517.19  ?       ?       390.515 16.012  0.000000       16.01169 
1 1 1 -13 -9  12 o 306.682 6.4738  11442.99   481.736  11937.66   683.888  10955.80   678.697  312.826 9.0099  299.625 9.3354  13.20102       12.97411 
1 1 1 -13 -9  13 o 169.493 4.3910  3489.93    180.584  3603.01    257.039  3379.72    253.760  172.107 6.1551  166.680 6.2744  5.426971       8.789427 
1 1 1 -13 -9  14 o 50.587  3.5500  312.273    43.299   323.670    61.072   300.754    61.396   51.369  4.9615  49.472  5.1921  1.896801       7.181532 
1 1 1 -13 -9  15 o 202.676 4.7737  4991.89    234.760  5209.49    333.602  4778.42    330.423  206.884 6.6456  198.117 6.8736  8.766754       9.560893 
1 1 1 -13 -9  16 f 395.066 8.1020  19031.08   776.654  19397.46   1100.40  18667.41   1096.32  397.872 11.398  390.251 11.578  7.620331       16.24718 
1 1 1 -13 -9  17 o 135.190 3.9459  2220.11    129.437  2324.28    184.505  2119.16    181.631  138.243 5.5005  131.992 5.6712  6.251160       7.900510 
1 1 1 -13 -9  18 o 365.538 7.6056  16291.36   674.573  16697.13   955.993  15888.98   952.000  369.176 10.672  360.056 10.897  9.119385       15.25254 
1 1 1 -13 -9  19 o 167.044 4.3484  3391.18    176.248  3391.17    250.337  3391.19    248.181  166.896 6.1818  166.902 6.1284  -0.5523682E-02 8.704656 
1 1 1 -13 -9  20 o 124.238 3.8237  1875.27    115.265  1880.64    163.951  1870.03    162.085  124.326 5.4348  123.978 5.3881  0.3480759      7.653050 
1 1 1 -13 -9  21 o 71.638  3.6243  625.063    62.794   765.394    88.923   485.478    88.687   79.204  4.6474  62.874  5.8817  16.33055       7.496137 
1 1 1 -13 -9  22 o 321.401 6.7944  12594.89   529.862  12555.54   751.315  12633.82   747.377  320.081 9.6738  321.104 9.5924  -1.023254      13.62343 
1 1 1 -13 -9  23 o 203.206 6.7255  5034.97    331.606  4841.84    453.296  5257.31    486.374  198.795 9.3975  207.086 9.6795  -8.291763      13.49099 
1 1 1 -13 -9  24 o 223.711 7.1145  6106.38    386.184  5611.58    529.741  6667.61    564.179  213.812 10.211  233.126 9.9738  -19.31418      14.27378 
1 1 1 -13 -9  25 o 113.696 5.1998  1573.03    143.449  1795.53    190.542  1281.92    217.943  121.197 6.5031  101.966 8.8981  19.23124       11.02123 
1 1 1 -13 -9  26 o 157.889 5.9063  3036.08    226.272  3179.24    305.582  2862.32    336.666  161.337 7.8060  152.632 9.1325  8.705658       12.01401 
1 1 1 -13 -9  27 o 271.102 5.9442  8951.41    391.012  8886.15    555.331  9015.57    550.648  269.568 8.4902  271.558 8.3569  -1.989410      11.91313 
1 1 1 -13 -9  28 o 128.123 3.8664  1994.83    120.197  1898.55    171.534  2087.72    168.476  124.875 5.6612  130.977 5.3013  -6.102127      7.755830 
1 1 1 -13 -9  29 o 132.176 4.0361  2123.38    129.441  2142.70    181.853  2103.54    184.286  132.660 5.6496  131.431 5.7787  1.228470       8.081529 
1 1 1 -13 -9  30 o 181.557 4.5718  4008.58    201.403  4054.67    285.767  3963.09    283.895  182.382 6.4575  180.306 6.4891  2.075546       9.154662 
1 1 1 -13 -9  31 o 154.115 4.3059  2887.78    161.016  2880.95    226.942  2894.70    228.488  153.767 6.0826  154.131 6.1095  -0.3636017     8.621149 
1 1 1 -13 -9  32 o 334.638 10.358  13762.09   841.036  12910.17   1221.49  14530.04   1159.73  321.479 15.659  342.057 13.973  -20.57776      20.98714 
1 1 1 -13 -9  33 o 183.311 6.8924  4101.27    306.564  3887.01    461.960  4269.88    409.804  177.379 10.785  186.637 9.0493  -9.258362      14.07826 
1 1 1 -13 -9  34 f 235.428 7.6443  6777.42    436.679  7594.19    649.703  6104.42    589.755  248.250 10.786  222.529 10.922  25.72176       15.35054 
1 1 1 -13 -9  35 o 135.269 4.0121  2225.12    131.685  2146.44    186.551  2303.27    185.911  132.687 5.7944  137.474 5.5734  -4.787247      8.039739 
1 1 1 -13 -9  36 o 96.748  3.7472  1138.16    87.966   1194.31    125.166  1083.35    123.653  98.862  5.2365  94.117  5.4379  4.745453       7.549251 
1 1 1 -13 -9  37 o 77.230  3.8173  725.545    71.534   610.162    100.632  843.397    101.704  70.444  5.9430  83.029  5.0726  -12.58459      7.813463 
1 1 1 -13 -9  38 o 181.970 4.6162  4035.53    203.820  3712.77    290.775  4347.31    285.782  174.060 6.8848  188.514 6.2478  -14.45418      9.297107 
1 1 1 -13 -9  39 o 100.137 3.7590  1220.78    91.333   1172.29    128.964  1269.58    129.365  97.790  5.4569  101.816 5.2544  -4.026024      7.575354 
1 1 1 -13 -9  40 o 10.755  4.9512  -22.8964   29.804   13.688     38.617   -76.7919   46.871   15.963  6.4485  11.397  5.5169  4.565960       8.486388 
1 1 1 -13 -9  41 f 81.356  3.7747  806.781    74.514   728.196    105.546  884.870    105.213  76.857  5.7003  84.882  5.1326  -8.024963      7.670544 
1 1 1 -13 -9  42 o 119.330 3.9137  1737.56    113.319  1751.28    161.011  1724.11    159.515  119.451 5.5552  118.523 5.5467  0.9280319      7.850221 
1 1 1 -13 -9  43 o 43.102  4.4349  229.605    45.720   328.332    63.105   120.525    66.331   51.491  5.1187  30.600  8.5847  20.89102       9.994910 
1 1 1 -13 -9  44 o 53.209  5.3906  351.568    68.635   379.444    85.004   299.352    116.340  55.026  6.4915  47.654  10.357  7.372433       12.22357 
1 1 1 -13 -9  45 o 72.289  5.0168  645.058    87.451   711.456    110.353  532.963    143.384  75.644  6.0633  64.233  9.4853  11.41176       11.25760 
1 1 1 -13 -9  46 o 40.274  4.6471  201.620    44.578   207.923    60.003   193.854    66.598   40.516  6.3090  38.820  7.3392  1.695145       9.678177 
1 1 1 -13 -9  47 o 76.179  4.3000  713.594    79.156   756.510    110.865  668.966    113.055  77.992  5.9021  73.142  6.4358  4.849487       8.732354 
1 1 1 -13 -9  48 o 67.419  4.4375  560.206    72.187   537.719    102.021  582.752    102.154  65.460  6.5095  68.260  6.2367  -2.800148      9.014992 
1 1 1 -13 -9  49 o 119.345 5.2948  1758.55    153.328  1530.82    341.793  1815.92    171.559  105.738 13.640  121.048 5.8410  -15.31066      14.83805 
1 1 1 -13 -9  50 o 19.123  8.5871  -31.3115   82.938   54.094     203.851  -48.2534   90.792   33.534  14.278  19.291  8.7905  14.24270       16.76701 
1 1 1 -13 -9  51 o 99.987  6.7967  1259.75    163.915  924.453    310.669  1389.10    192.960  78.491  16.818  104.498 7.6636  -26.00702      18.48216 
1 1 1 -13 -9  52 o 14.162  6.3484  -18.0571   45.123   -23.2338   60.372   -11.5047   67.922   16.342  7.3332  18.164  7.9835  -1.821796      10.84026 
1 1 1 -13 -9  53 o 60.615  4.6827  457.034    68.338   352.682    95.791   565.193    97.522   52.028  7.8306  66.912  6.0728  -14.88388      9.909447 
1 1 1 -13 -9  54 o 70.315  4.5694  614.414    77.536   583.753    105.833  649.937    113.917  67.706  6.5229  71.404  6.6516  -3.697975      9.316220 
1 1 1 -13 -9  55 o 43.917  5.3317  244.151    55.649   214.006    70.204   295.117    91.283   40.298  7.4545  47.095  8.2911  -6.797501      11.14946 
1 1 1 -13 -9  56 o 34.752  6.4625  157.560    52.487   134.800    63.734   205.532    92.528   31.586  8.2323  38.427  9.8714  -6.841034      12.85359 
1 1 1 -13 -9  57 o 12.197  5.5575  -20.8062   36.286   -14.4954   40.527   -46.3137   81.477   13.494  6.0350  17.884  8.2157  -4.389949      10.19412 
1 1 1 -13 -9  58 o 60.220  6.3993  464.807    92.072   464.807    92.072   0.0000     0.0000   60.220  6.3993  ?       ?       0.000000       6.399307 
1 1 1 -13 -9  59 o 37.260  7.3785  183.967    64.347   183.967    64.347   0.0000     0.0000   37.260  7.3785  ?       ?       0.000000       7.378507 
1 1 1 -13 -9  60 o 39.393  5.6263  198.540    52.249   181.125    65.986   227.812    85.550   36.844  7.6322  40.864  8.8816  -4.020668      11.71040 
1 1 1 -13 -9  61 o 30.180  6.3727  119.816    45.202   115.479    54.286   129.622    81.623   29.306  7.5780  30.798  9.7471  -1.492018      12.34632 
1 1 1 -13 -9  62 o 47.056  10.884  319.964    121.796  719.995    387.087  276.007    128.314  57.319  21.122  43.007  11.896  14.31240       24.24178 
1 1 1 -13 -8  1  o 24.449  4.9634  75.326     28.440   50.726     45.760   90.808     36.302   21.360  7.3239  26.807  5.7532  -5.447750      9.313334 
1 1 1 -13 -8  2  o 222.528 7.0743  6034.15    381.975  6693.44    545.540  5400.09    535.003  233.935 9.6110  209.692 10.549  24.24289       14.27045 
1 1 1 -13 -8  3  o 132.307 3.8351  2126.29    123.119  2043.58    182.175  2195.82    167.040  129.607 5.7929  134.389 5.1226  -4.781311      7.732978 
1 1 1 -13 -8  4  o 187.544 4.4603  4273.70    202.968  4407.33    291.087  4147.26    283.158  190.308 6.3038  184.606 6.3215  5.701721       8.927425 
1 1 1 -13 -8  5  o 263.933 5.7486  8471.45    368.146  8836.92    524.666  8116.99    516.701  269.260 8.0306  258.026 8.2530  11.23474       11.51530 
1 1 1 -13 -8  6  o 103.567 3.4608  1302.37    86.968   1377.11    124.957  1232.16    121.114  106.456 4.8376  100.693 4.9572  5.762711       6.926445 
1 1 1 -13 -8  7  o 70.606  3.2980  605.245    56.501   669.490    81.491   545.767    78.409   74.096  4.5547  66.843  4.8679  7.253090       6.666459 
1 1 1 -13 -8  8  o 284.408 12.106  9904.98    835.448  0.0000     0.0000   9904.98    835.448  ?       ?       284.408 12.106  0.000000       12.10636 
1 1 1 -13 -8  9  o 276.374 11.825  9347.45    792.998  0.0000     0.0000   9347.45    792.998  ?       ?       276.374 11.825  0.000000       11.82528 
1 1 1 -13 -8  10 o 180.825 8.6816  3985.33    380.911  0.0000     0.0000   3985.33    380.911  ?       ?       180.825 8.6816  0.000000       8.681602 
1 1 1 -13 -8  11 o 180.322 6.4103  3954.86    280.475  4024.76    418.690  3897.97    377.764  181.383 9.5469  178.830 8.7059  2.552872       12.92041 
1 1 1 -13 -8  12 o 275.209 6.0304  9209.65    402.691  9112.29    571.831  9305.43    567.179  273.428 8.6191  276.334 8.4590  -2.905914      12.07658 
1 1 1 -13 -8  13 o 274.465 5.9741  9159.97    397.855  9232.28    564.847  9088.78    560.483  275.232 8.4580  273.084 8.4587  2.147430       11.96189 
1 1 1 -13 -8  14 o 67.272  3.4338  550.902    55.863   634.209    79.406   469.268    78.605   72.109  4.5619  61.912  5.2831  10.19662       6.980121 
1 1 1 -13 -8  15 o 106.244 4.0204  1370.95    103.642  1379.27    169.897  1366.03    130.799  106.260 6.6224  106.017 5.0847  0.2428818      8.349310 
1 1 1 -13 -8  16 o 272.730 6.0025  9047.59    397.220  9159.82    563.591  8936.82    559.935  274.061 8.4753  270.696 8.5250  3.364868       12.02102 
1 1 1 -13 -8  17 f 188.863 4.5576  4334.36    208.854  4496.95    296.931  4175.16    293.822  192.226 6.3662  185.205 6.5383  7.021210       9.125699 
1 1 1 -13 -8  18 o 137.143 4.0134  2284.88    133.551  2315.21    190.107  2255.31    187.657  137.959 5.6791  136.163 5.6799  1.796417       8.032085 
1 1 1 -13 -8  19 o 217.803 5.0233  5768.08    265.473  5687.84    377.161  5846.85    373.732  216.030 7.1953  219.051 7.0315  -3.021347      10.06057 
1 1 1 -13 -8  20 o 29.564  5.4569  109.704    37.703   88.477     53.270   131.011    53.369   26.677  7.7617  32.166  7.0340  -5.488834      10.47476 
1 1 1 -13 -8  21 o 207.457 4.8666  5233.96    244.971  5109.06    348.188  5356.38    344.722  204.704 7.0101  209.634 6.7771  -4.930161      9.750381 
1 1 1 -13 -8  22 o 170.777 4.4124  3545.63    182.840  3518.92    260.186  3571.69    256.992  169.949 6.3096  171.232 6.1854  -1.283722      8.835776 
1 1 1 -13 -8  23 o 202.183 6.8655  4985.18    336.808  5291.23    459.761  4630.69    494.805  207.887 9.1147  193.902 10.557  13.98528       13.94705 
1 1 1 -13 -8  24 o 256.729 8.0507  8054.19    501.501  8131.35    691.481  7968.58    728.418  257.129 11.083  254.311 11.805  2.818085       16.19218 
1 1 1 -13 -8  25 o 173.100 6.1000  3650.14    256.207  3376.16    346.004  3982.71    381.214  165.919 8.6242  180.431 8.7075  -14.51154      12.25554 
1 1 1 -13 -8  26 o 58.356  3.8372  415.602    54.030   429.138    76.020   401.784    76.806   59.142  5.3556  57.178  5.6083  1.963936       7.754706 
1 1 1 -13 -8  27 o 54.511  3.9014  362.939    51.261   299.770    72.187   427.194    72.805   49.224  6.1802  59.033  5.1339  -9.809502      8.034379 
1 1 1 -13 -8  28 o 173.937 4.3899  3678.18    185.273  3582.07    263.794  3771.74    260.272  171.453 6.3410  175.963 6.0960  -4.509888      8.795947 
1 1 1 -13 -8  29 o 96.251  3.8971  1125.85    91.016   1079.42    125.690  1177.03    131.971  94.004  5.5349  98.174  5.5630  -4.169731      7.847462 
1 1 1 -13 -8  30 o 78.977  3.8403  757.985    73.591   695.393    100.868  829.219    107.606  75.375  5.5543  82.361  5.4147  -6.986015      7.756929 
1 1 1 -13 -8  31 o 215.887 7.4562  5690.97    390.581  5360.45    583.329  5959.58    525.860  208.273 11.589  220.401 9.8331  -12.12810      15.19839 
1 1 1 -13 -8  32 o 86.344  5.7245  912.000    119.253  832.976    193.054  960.758    151.644  81.798  9.9306  88.438  7.1273  -6.640282      12.22351 
1 1 1 -13 -8  33 f ?       ?       -263.0577  47.949   9.9027     85.380   -388.8027  57.950   22.329  9.3598  ?       ?       0.000000       9.359809 
1 1 1 -13 -8  34 o 207.222 4.9028  5226.57    246.516  5629.29    351.130  4835.13    346.174  214.747 6.7387  198.943 7.1714  15.80406       9.840658 
1 1 1 -13 -8  35 o 95.030  3.7377  1097.86    86.184   1054.35    121.092  1142.54    122.690  92.869  5.3971  96.707  5.2483  -3.837616      7.528153 
1 1 1 -13 -8  36 o 100.555 3.7840  1229.59    92.324   1323.87    131.839  1138.88    129.329  104.098 5.2364  96.487  5.5474  7.610062       7.628467 
1 1 1 -13 -8  37 o 34.973  9.0806  156.257    77.739   159.141    92.571   149.358    143.181  35.464  10.207  36.653  12.931  -1.189617      16.47385 
1 1 1 -13 -8  38 f 146.467 4.2141  2612.73    149.766  2585.22    213.432  2639.41    210.206  145.396 6.0498  146.941 5.8957  -1.545303      8.447485 
1 1 1 -13 -8  39 o 122.066 3.9461  1814.86    116.877  1792.12    166.204  1837.12    164.389  121.047 5.6588  122.580 5.5270  -1.533119      7.910091 
1 1 1 -13 -8  40 o 81.659  3.7483  812.343    74.268   784.658    104.618  840.469    105.450  79.895  5.4289  82.728  5.2808  -2.833649      7.573610 
1 1 1 -13 -8  41 o 63.955  3.8965  500.605    60.177   555.509    84.731   444.725    85.481   67.156  5.2414  59.899  5.9606  7.256916       7.937325 
1 1 1 -13 -8  42 o 70.655  3.8084  610.778    65.050   622.994    91.663   598.383    92.329   71.072  5.3547  69.612  5.5113  1.459625       7.684186 
1 1 1 -13 -8  43 o 108.107 4.5542  1430.61    119.463  1338.26    143.352  1640.52    216.127  104.150 5.6941  114.532 7.8239  -10.38195      9.676576 
1 1 1 -13 -8  44 o 114.616 5.3069  1615.16    147.589  1604.39    190.000  1631.55    234.355  113.508 6.9319  113.711 8.5566  -0.2037277     11.01209 
1 1 1 -13 -8  45 o 33.428  6.8099  143.552    53.359   134.825    64.445   162.578    95.152   32.176  8.2236  35.263  10.406  -3.086765      13.26339 
1 1 1 -13 -8  46 o 38.073  6.0562  183.518    54.074   138.195    77.942   225.577    75.083   32.560  9.3644  41.853  7.6764  -9.293549      12.10859 
1 1 1 -13 -8  47 o 50.737  5.0638  319.851    61.507   322.018    85.727   317.553    88.299   50.313  7.2298  49.862  7.5331  0.4511032      10.44119 
1 1 1 -13 -8  48 o 67.570  4.5450  563.183    74.083   522.314    104.528  604.430    105.012  64.406  6.7911  69.502  6.2953  -5.095520      9.260124 
1 1 1 -13 -8  49 o 16.911  7.9571  -83.2934   83.887   -289.5194  176.838  -23.4118   95.291   21.391  10.437  21.082  9.3520  0.3089771      14.01360 
1 1 1 -13 -8  50 o 59.527  8.0385  456.003    113.137  504.563    243.018  442.566    127.836  58.134  16.475  58.044  9.3980  0.9025955E-01  18.96707 
1 1 1 -13 -8  51 o 26.173  7.6894  88.638     52.056   79.459     71.375   99.069     76.089   25.973  9.1330  28.171  9.4451  -2.198311      13.13859 
1 1 1 -13 -8  52 o 56.639  5.0100  400.240    68.143   453.002    95.447   345.392    97.316   59.662  6.7096  51.465  8.0575  8.197582       10.48533 
1 1 1 -13 -8  53 o 38.356  6.3529  189.371    57.056   202.287    76.998   173.642    84.967   38.945  8.3954  35.724  9.5977  3.221821       12.75145 
1 1 1 -13 -8  54 o 36.996  6.4110  177.122    55.465   114.650    76.468   246.479    80.571   29.489  9.4450  43.159  7.9880  -13.66981      12.36998 
1 1 1 -13 -8  55 o 70.930  4.5623  626.278    78.103   575.167    108.939  680.334    112.035  66.932  6.8024  73.075  6.3826  -6.142860      9.327950 
1 1 1 -13 -8  56 f 51.397  5.3745  334.000    66.035   296.327    87.989   382.581    99.918   47.272  7.9535  53.881  7.8751  -6.608902      11.19268 
1 1 1 -13 -8  57 o 39.879  5.9855  204.581    56.129   140.049    71.608   307.404    90.391   32.033  8.8960  48.107  8.0265  -16.07392      11.98181 
1 1 1 -13 -8  58 o 37.325  7.4346  184.811    64.967   184.811    64.967   0.0000     0.0000   37.325  7.4346  ?       ?       0.000000       7.434609 
1 1 1 -13 -8  59 o 15.656  6.3643  14.463     37.874   45.071     40.631   -188.4033  104.604  19.674  6.8923  16.002  7.8532  3.672104       10.44877 
1 1 1 -13 -8  60 o 39.439  5.6988  199.305    52.954   191.939    67.252   211.324    85.902   37.974  7.5646  39.179  9.1943  -1.204941      11.90624 
1 1 1 -13 -8  61 o 52.050  10.583  383.168    129.108  53.415     383.385  425.347    137.117  38.160  17.635  54.835  10.689  -16.67593      20.62173 
1 1 1 -13 -7  1  o 273.205 8.3209  9109.40    551.599  9480.78    784.378  8746.06    775.850  277.935 11.631  266.855 11.982  11.08063       16.69896 
1 1 1 -13 -7  2  o 253.312 11.144  7861.75    684.948  0.0000     0.0000   7861.75    684.948  ?       ?       253.312 11.144  0.000000       11.14393 
1 1 1 -13 -7  3  o 147.962 3.9440  2659.08    141.597  2802.10    203.362  2524.50    197.273  151.805 5.5210  144.082 5.6428  7.722992       7.894486 
1 1 1 -13 -7  4  o 199.130 4.7356  4818.14    228.809  4876.83    326.833  4761.72    320.433  200.181 6.7288  197.809 6.6762  2.371765       9.478822 
1 1 1 -13 -7  5  o 95.647  3.4145  1110.73    79.243   1163.90    114.430  1061.75    109.843  97.873  4.8185  93.351  4.8663  4.521393       6.848245 
1 1 1 -13 -7  6  o 177.886 4.4340  3843.67    191.384  4201.76    273.291  3499.05    268.099  185.889 6.0591  169.605 6.5147  16.28482       8.896834 
1 1 1 -13 -7  7  o 236.001 7.4782  6779.67    428.228  0.0000     0.0000   6779.67    428.228  ?       ?       236.001 7.4782  0.000000       7.478201 
1 1 1 -13 -7  8  o 254.507 11.053  7914.29    682.535  0.0000     0.0000   7914.29    682.535  ?       ?       254.507 11.053  0.000000       11.05251 
1 1 1 -13 -7  9  o 222.798 9.9923  6056.63    540.181  0.0000     0.0000   6056.63    540.181  ?       ?       222.798 9.9923  0.000000       9.992251 
1 1 1 -13 -7  10 o 24.231  7.2377  72.170     45.814   -1.1955    80.173   107.743    55.827   21.011  8.9502  29.236  7.7459  -8.225332      11.83658 
1 1 1 -13 -7  11 o 216.640 5.1457  5702.54    270.485  5756.59    384.294  5649.47    380.777  217.499 7.2819  215.466 7.2833  2.033371       10.29911 
1 1 1 -13 -7  12 o 249.007 5.6359  7536.33    340.516  7285.26    483.400  7783.61    479.747  244.578 8.1456  252.843 7.8198  -8.265106      11.29164 
1 1 1 -13 -7  13 o 234.034 5.3207  6656.22    302.142  6913.64    429.138  6403.18    425.471  238.327 7.4210  229.337 7.6460  8.990036       10.65513 
1 1 1 -13 -7  14 o 168.296 4.3043  3440.17    175.770  3507.47    250.003  3374.40    247.173  169.837 6.0666  166.581 6.1152  3.256027       8.613921 
1 1 1 -13 -7  15 o 99.136  3.6337  1193.36    87.406   1312.39    124.518  1077.73    122.723  103.925 4.9380  94.008  5.4029  9.917435       7.319525 
1 1 1 -13 -7  16 o 204.086 4.8479  5061.35    240.068  5205.97    341.155  4919.49    337.884  206.818 6.7983  201.035 6.9268  5.783340       9.705500 
1 1 1 -13 -7  17 o 151.709 4.1424  2795.84    152.486  2809.52    216.761  2782.44    214.551  151.982 5.8779  151.250 5.8462  0.7322083      8.290224 
1 1 1 -13 -7  18 o 281.277 6.1575  9627.57    420.243  9856.87    596.201  9401.16    592.445  284.189 8.6461  277.513 8.7983  6.676483       12.33556 
1 1 1 -13 -7  19 o 282.983 6.1527  9747.00    422.462  9852.25    599.362  9643.09    595.558  284.045 8.6964  281.006 8.7346  3.039185       12.32560 
1 1 1 -13 -7  20 f 347.650 7.2545  14734.60   611.944  14953.67   867.564  14517.69   863.291  349.384 10.234  344.219 10.336  5.164215       14.54528 
1 1 1 -13 -7  21 f 105.641 3.7220  1355.80    95.405   1399.27    135.906  1313.56    133.963  107.249 5.2225  103.771 5.3385  3.478737       7.468219 
1 1 1 -13 -7  22 o 175.230 4.5352  3733.30    192.826  4008.25    274.295  3464.68    271.126  181.394 6.2321  168.601 6.6275  12.79257       9.097363 
1 1 1 -13 -7  23 o 273.038 8.6771  9118.97    574.859  10180.27   794.676  7953.97    832.597  287.641 11.386  253.154 13.604  34.48781       17.74049 
1 1 1 -13 -7  24 o 237.971 7.5222  6913.49    434.344  6558.85    596.122  7314.82    634.150  231.069 10.632  244.000 10.711  -12.93083      15.09228 
1 1 1 -13 -7  25 o 297.538 9.0169  10835.96   650.976  10734.75   901.157  10946.42   941.400  294.910 12.594  297.622 13.036  -2.711731      18.12551 
1 1 1 -13 -7  26 f 229.843 5.3686  6429.15    299.404  6542.69    425.555  6317.85    421.319  231.506 7.5758  227.483 7.6330  4.023376       10.75436 
1 1 1 -13 -7  27 o 147.420 4.1091  2641.43    146.984  2733.46    209.194  2551.70    206.564  149.834 5.7541  144.756 5.8811  5.078827       8.227765 
1 1 1 -13 -7  28 o 22.510  6.4051  63.253     36.655   140.631    51.328   -17.2747   52.362   33.394  6.5686  15.735  6.9586  17.65948       9.569161 
1 1 1 -13 -7  29 o 73.805  3.7435  663.572    66.820   662.579    94.561   664.563    94.435   73.595  5.3316  73.707  5.3160  -0.1125183     7.528979 
1 1 1 -13 -7  30 o 201.364 4.9007  4932.53    239.445  4907.76    340.746  4956.70    336.546  200.576 7.0014  201.593 6.8803  -1.016647      9.816235 
1 1 1 -13 -7  31 o 113.297 5.8107  1567.46    159.202  1282.46    251.139  1758.93    205.846  101.685 10.322  119.850 7.1103  -18.16551      12.53379 
1 1 1 -13 -7  32 o 92.467  5.6928  1045.25    127.103  994.448    204.518  1077.22    162.239  89.553  9.5599  93.667  7.1935  -4.113899      11.96399 
1 1 1 -13 -7  33 o 157.176 6.2889  3012.24    239.840  2942.23    371.355  3062.35    314.148  154.447 9.9625  157.989 8.2233  -3.541687      12.91798 
1 1 1 -13 -7  34 o 204.769 4.9947  5104.39    248.165  5087.47    353.136  5120.90    348.821  204.069 7.1318  204.760 7.0209  -0.6911469     10.00780 
1 1 1 -13 -7  35 o 48.165  4.3588  284.538    50.388   322.086    69.535   243.018    73.120   51.087  5.7070  44.050  7.0810  7.037567       9.094560 
1 1 1 -13 -7  36 o 112.824 3.8550  1548.17    105.532  1538.94    150.141  1557.18    148.365  112.342 5.5080  113.016 5.4104  -0.6738968     7.720776 
1 1 1 -13 -7  37 f 160.998 4.3606  3156.24    170.346  3110.16    242.187  3201.35    239.644  159.509 6.2575  161.860 6.1019  -2.351257      8.740106 
1 1 1 -13 -7  38 o 122.943 3.9791  1840.32    118.702  1932.92    169.360  1750.91    166.418  125.787 5.5490  119.691 5.7303  6.096046       7.976674 
1 1 1 -13 -7  39 o 120.527 3.9265  1769.56    114.831  1776.39    163.122  1762.86    161.678  120.511 5.5785  120.057 5.5501  0.4548035      7.869158 
1 1 1 -13 -7  40 o 145.634 4.2120  2587.05    148.839  2432.73    211.884  2737.37    209.125  140.782 6.2028  149.454 5.7668  -8.672485      8.469391 
1 1 1 -13 -7  41 o 129.184 4.0918  2036.55    128.260  1926.23    182.634  2143.91    180.165  125.214 6.0112  132.205 5.6164  -6.990730      8.226730 
1 1 1 -13 -7  42 o 156.705 4.4235  3002.33    168.195  2910.71    241.262  3088.97    234.605  153.621 6.4725  158.398 6.1041  -4.777496      8.896855 
1 1 1 -13 -7  43 f 57.477  5.3102  409.109    73.221   353.730    90.254   515.736    125.234  52.938  7.2143  63.753  8.2921  -10.81476      10.99113 
1 1 1 -13 -7  44 o 91.799  5.1532  1038.66    114.318  1031.36    144.891  1050.71    186.064  91.019  6.6056  91.119  8.5144  -0.1000366     10.77629 
1 1 1 -13 -7  45 o 102.923 5.2682  1307.00    131.124  1337.81    167.309  1257.96    211.109  103.608 6.6910  99.480  8.8380  4.127617       11.08511 
1 1 1 -13 -7  46 o 25.790  7.9311  83.829     54.458   61.785     76.076   106.997    77.991   24.887  9.3260  29.310  9.5523  -4.422972      13.34991 
1 1 1 -13 -7  47 o 34.957  6.7825  156.977    55.453   156.465    76.753   157.536    80.208   34.486  9.0563  34.587  9.3388  -0.1005173     13.00881 
1 1 1 -13 -7  48 o 142.769 4.4947  2503.09    155.703  2526.50    223.265  2480.92    217.253  142.523 6.4561  141.295 6.3369  1.227829       9.046422 
1 1 1 -13 -7  49 o 24.492  9.9304  39.833     91.941   -326.3634  206.656  130.205    102.661  23.177  11.302  32.267  10.970  -9.089567      15.75096 
1 1 1 -13 -7  50 o 32.488  10.797  135.261    99.461   78.973     219.501  149.804    111.572  35.319  14.917  34.086  11.437  1.233093       18.79678 
1 1 1 -13 -7  51 o 20.435  7.5149  43.619     48.962   22.566     66.921   67.869     71.822   20.466  8.4054  24.867  9.1083  -4.400702      12.39404 
1 1 1 -13 -7  52 o 66.859  4.4104  553.606    71.147   497.214    102.990  605.085    98.402   62.421  6.9160  69.369  5.9023  -6.947323      9.092260 
1 1 1 -13 -7  53 o 34.677  6.3337  155.543    51.329   169.053    73.278   142.529    71.921   35.466  8.6033  32.543  8.8669  2.923225       12.35467 
1 1 1 -13 -7  54 o 72.387  4.3003  649.718    75.192   656.295    108.141  643.562    104.621  71.901  6.2610  71.271  6.1089  0.6302032      8.747506 
1 1 1 -13 -7  55 o 51.447  5.3629  334.263    65.962   443.014    94.012   228.814    92.574   58.692  6.7227  40.768  9.5295  17.92401       11.66214 
1 1 1 -13 -7  56 o 26.307  7.8443  91.489     53.850   101.714    69.859   76.518     84.533   27.827  9.0392  26.126  9.8227  1.701025       13.34891 
1 1 1 -13 -7  57 o 44.678  8.7258  269.795    91.199   269.795    91.199   0.0000     0.0000   44.678  8.7258  ?       ?       0.000000       8.725768 
1 1 1 -13 -7  58 o 26.662  8.6858  92.379     64.486   92.379     64.486   0.0000     0.0000   26.662  8.6858  ?       ?       0.000000       8.685797 
1 1 1 -13 -7  59 o 35.397  5.8743  161.543    48.685   182.933    60.225   121.203    82.706   37.341  6.9012  30.112  9.8379  7.229233       12.01709 
1 1 1 -13 -7  60 o 18.862  6.7610  39.960     39.293   28.156     46.046   71.587     75.369   18.222  7.1457  25.052  9.3032  -6.830647      11.73076 
1 1 1 -13 -7  61 o 23.245  10.033  14.688     103.220  -163.5180  363.523  30.315     107.651  33.275  15.915  24.492  10.401  8.782152       19.01246 
1 1 1 -13 -6  1  o 392.715 11.526  18904.39   1098.33  20885.82   1542.36  16865.89   1564.41  411.103 15.462  368.483 17.497  42.61935       23.35020 
1 1 1 -13 -6  2  o 68.353  3.2631  567.256    54.118   627.021    79.424   515.460    73.940   71.690  4.5900  64.959  4.7234  6.731102       6.586255 
1 1 1 -13 -6  3  o 330.880 6.9647  13325.40   559.163  13761.38   793.863  12896.14   787.724  335.731 9.7452  324.953 9.9906  10.77798       13.95636 
1 1 1 -13 -6  4  o 112.505 3.6205  1536.84    98.834   1628.10    141.850  1450.74    137.783  115.752 5.0505  109.260 5.1972  6.491776       7.246991 
1 1 1 -13 -6  5  o 124.644 3.7378  1886.40    113.045  1907.98    161.589  1865.70    158.204  125.302 5.3149  123.908 5.2621  1.394066       7.479105 
1 1 1 -13 -6  6  o 17.590  5.5248  37.103     26.269   46.648     42.755   31.314     33.295   20.571  7.0778  17.431  6.2262  3.139847       9.426632 
1 1 1 -13 -6  7  o 65.503  4.6450  523.777    73.349   0.0000     0.0000   523.777    73.349   ?       ?       65.503  4.6450  0.000000       4.645035 
1 1 1 -13 -6  8  o 195.497 9.0957  4657.25    431.462  0.0000     0.0000   4657.25    431.462  ?       ?       195.497 9.0957  0.000000       9.095750 
1 1 1 -13 -6  9  o 265.592 7.9360  8586.27    511.424  10203.99   746.523  7155.56    702.049  289.151 10.640  241.948 11.959  47.20279       16.00703 
1 1 1 -13 -6  10 o 257.583 8.0081  8076.75    500.509  8461.83    729.932  7735.02    687.615  263.192 11.430  251.661 11.261  11.53165       16.04519 
1 1 1 -13 -6  11 o 197.150 4.6812  4721.04    223.936  4789.79    317.878  4653.31    315.520  198.466 6.6010  195.615 6.6476  2.851242       9.368204 
1 1 1 -13 -6  12 f 58.264  3.4642  413.574    48.754   434.512    68.961   392.651    68.937   59.615  4.8083  56.624  5.0712  2.990799       6.988323 
1 1 1 -13 -6  13 o 24.324  5.2889  74.694     30.325   51.158     41.913   100.551    43.931   21.095  7.0088  28.193  6.5474  -7.097261      9.591280 
1 1 1 -13 -6  14 o 129.219 3.8747  2027.57    121.487  2112.19    172.891  1945.04    170.747  131.833 5.4049  126.502 5.5628  5.330360       7.756083 
1 1 1 -13 -6  15 o 117.236 3.7416  1668.92    106.434  1736.19    151.108  1602.69    149.940  119.526 5.2103  114.832 5.3813  4.693832       7.490394 
1 1 1 -13 -6  16 o 334.452 6.9776  13615.00   566.241  13750.61   802.359  13480.45   799.222  335.570 9.8542  332.245 9.9139  3.325928       13.97823 
1 1 1 -13 -6  17 o 52.812  3.9519  340.655    50.274   362.151    70.860   318.868    71.339   54.307  5.4511  50.866  5.8891  3.440979       8.024693 
1 1 1 -13 -6  18 o 404.114 8.3596  19921.01   819.695  19540.05   1160.88  20299.81   1157.58  399.086 11.988  406.869 11.726  -7.782776      16.76917 
1 1 1 -13 -6  19 o 268.800 5.8545  8791.33    381.840  8703.01    541.289  8878.81    538.726  267.044 8.3538  269.751 8.2308  -2.706970      11.72736 
1 1 1 -13 -6  20 o 186.135 5.1938  4213.72    234.571  4368.12    393.858  4128.85    292.008  189.109 8.5835  184.118 6.5364  4.991592       10.78887 
1 1 1 -13 -6  21 o 284.159 6.2230  9833.69    429.066  10027.50   608.341  9641.83    605.254  286.411 8.7537  280.818 8.8828  5.593201       12.47123 
1 1 1 -13 -6  22 o 192.263 5.3459  4498.06    249.390  4779.92    418.848  4343.25    310.412  197.703 8.7313  188.754 6.7776  8.948822       11.05317 
1 1 1 -13 -6  23 o 109.332 5.2557  1454.55    139.424  1621.99    182.882  1222.18    215.445  115.171 6.5715  99.532  9.0189  15.63876       11.15909 
1 1 1 -13 -6  24 o 106.287 5.2474  1374.69    135.329  1507.06    177.568  1191.28    209.023  110.992 6.6236  98.280  8.8606  12.71215       11.06265 
1 1 1 -13 -6  25 o 55.916  5.4119  384.052    72.507   490.306    91.259   202.142    119.407  63.164  6.0276  40.101  11.607  23.06217       13.07904 
1 1 1 -13 -6  26 o 217.173 5.2642  5739.05    277.398  6048.04    394.301  5436.25    390.331  222.638 7.2990  211.022 7.6233  11.61537       10.55414 
1 1 1 -13 -6  27 o 25.096  6.3651  79.709     38.818   55.909     55.967   101.770    53.885   22.908  8.0841  28.398  7.6490  -5.489820      11.12918 
1 1 1 -13 -6  28 o 126.887 3.9252  1956.56    120.849  2048.98    172.551  1867.57    169.309  129.747 5.4810  123.859 5.6336  5.888039       7.859958 
1 1 1 -13 -6  29 o 80.906  4.1888  797.798    81.949   916.195    130.475  720.663    105.313  86.492  6.2594  76.726  5.6975  9.765724       8.464149 
1 1 1 -13 -6  30 o 14.196  5.9868  2.0320     35.277   12.485     45.734   -13.3253   55.433   17.063  6.9712  16.529  7.2400  0.5333996      10.05062 
1 1 1 -13 -6  31 o 65.054  5.8107  519.502    90.755   728.333    151.737  403.187    113.244  76.741  8.2801  56.805  8.4755  19.93676       11.84874 
1 1 1 -13 -6  32 o 175.075 6.5925  3738.21    280.052  3703.87    428.042  3763.91    370.308  173.342 10.222  175.334 8.7043  -1.992065      13.42601 
1 1 1 -13 -6  33 o 96.003  6.0500  1127.81    140.209  421.245    226.813  1564.80    178.373  57.126  15.821  113.075 6.5291  -55.94809      17.11526 
1 1 1 -13 -6  34 o 308.514 6.6420  11618.14   497.211  11239.56   705.923  11990.86   700.434  302.437 9.6196  312.536 9.2364  -10.09949      13.33600 
1 1 1 -13 -6  35 o 129.009 4.0011  2024.14    125.247  1965.45    176.863  2083.18    177.389  126.961 5.7412  130.725 5.5925  -3.763824      8.014836 
1 1 1 -13 -6  36 o 76.959  4.0253  722.516    74.904   755.198    104.153  687.504    107.802  78.502  5.5028  74.811  5.9890  3.691208       8.133161 
1 1 1 -13 -6  37 o 138.730 4.2759  2343.54    143.934  2456.75    206.214  2235.99    200.992  141.791 5.9938  135.249 6.1246  6.541824       8.569551 
1 1 1 -13 -6  38 o 122.407 4.1312  1825.10    122.700  1791.79    174.332  1857.79    172.728  121.028 5.9364  123.264 5.7751  -2.235992      8.282117 
1 1 1 -13 -6  39 o 197.470 4.9543  4762.62    237.382  4809.82    339.843  4717.65    331.722  197.759 7.0824  195.893 6.9790  1.865585       9.943143 
1 1 1 -13 -6  40 o 67.044  4.1898  550.470    67.817   506.310    93.914   598.591    98.035   63.939  6.1285  69.626  5.8574  -5.687157      8.477467 
1 1 1 -13 -6  41 f 28.304  6.5961  102.598    44.461   74.534     57.028   146.095    70.997   24.932  8.1704  33.619  8.6526  -8.687334      11.90050 
1 1 1 -13 -6  42 o 75.367  4.0367  695.656    73.552   622.495    102.837  772.278    105.241  70.858  6.0389  79.108  5.5173  -8.249802      8.179779 
1 1 1 -13 -6  43 o 71.895  5.1729  637.864    89.637   713.303    111.306  498.657    151.200  75.806  6.1030  61.870  10.444  13.93605       12.09607 
1 1 1 -13 -6  44 f 93.693  5.2626  1082.83    119.153  1185.45    151.207  914.713    193.536  97.662  6.4166  84.453  9.6160  13.20920       11.56033 
1 1 1 -13 -6  45 o 14.355  5.9806  5.9716     34.550   15.659     42.486   -12.9421   59.364   16.703  6.7582  16.987  7.4649  -0.2831440     10.06966 
1 1 1 -13 -6  46 o 73.628  4.4247  667.103    78.682   695.341    109.644  637.122    112.976  74.710  6.1017  71.333  6.6021  3.376770       8.989905 
1 1 1 -13 -6  47 o 77.687  4.4752  743.044    84.001   754.000    119.325  732.279    118.274  77.680  6.3873  76.532  6.4287  1.148849       9.062370 
1 1 1 -13 -6  48 o 33.246  7.2710  143.482    57.020   179.517    76.191   97.606     85.968   36.930  8.6540  28.701  10.027  8.228470       13.24523 
1 1 1 -13 -6  49 o 41.104  8.4116  221.523    81.067   243.015    204.508  217.516    88.300   42.865  15.418  40.485  9.1980  2.380219       17.95330 
1 1 1 -13 -6  50 o 41.504  8.6632  227.554    84.425   256.051    188.243  220.379    94.457   43.065  14.849  40.495  9.7336  2.569942       17.75527 
1 1 1 -13 -6  51 o 50.194  5.0132  314.709    60.240   342.427    89.322   291.583    81.587   51.577  7.3448  47.540  7.3068  4.037453       10.36030 
1 1 1 -13 -6  52 o 83.937  4.2515  870.407    86.305   923.673    123.466  819.510    120.689  85.737  5.9722  80.618  6.2178  5.118591       8.621436 
1 1 1 -13 -6  53 o 74.213  4.2958  682.089    77.025   750.158    110.828  618.494    107.125  77.127  5.9686  69.793  6.3969  7.333710       8.749018 
1 1 1 -13 -6  54 f 33.488  6.3669  145.883    49.844   122.143    72.597   167.054    68.556   30.173  9.1331  35.277  8.1700  -5.103928      12.25410 
1 1 1 -13 -6  55 o 35.428  7.1410  165.651    59.266   141.081    79.522   196.350    88.888   32.139  9.5209  37.665  9.6751  -5.525181      13.57404 
1 1 1 -13 -6  56 o 24.410  9.2081  64.467     74.413   64.467     74.413   0.0000     0.0000   24.410  9.2081  ?       ?       0.000000       9.208060 
1 1 1 -13 -6  57 o 35.998  9.4892  179.035    84.059   179.035    84.059   0.0000     0.0000   35.998  9.4892  ?       ?       0.000000       9.489215 
1 1 1 -13 -6  58 o 39.667  8.0211  210.410    74.549   252.153    86.740   92.430     145.824  43.265  8.5657  30.794  12.499  12.47141       15.15237 
1 1 1 -13 -6  59 f 18.665  7.4923  25.323     51.773   18.854     70.299   32.991     76.534   20.319  8.5036  22.022  9.0102  -1.703087      12.38928 
1 1 1 -13 -6  60 o 41.747  5.4495  222.188    53.884   182.568    68.608   285.967    87.048   36.835  7.9123  46.271  8.0454  -9.435867      11.28421 
1 1 1 -13 -6  61 o 55.152  10.135  426.849    130.631  976.531    367.855  347.527    139.738  70.292  20.381  48.341  11.975  21.95078       23.63857 
1 1 1 -13 -5  1  o 310.651 9.5006  11782.76   716.125  13259.70   998.487  10218.29   1027.65  328.780 12.516  287.641 14.774  41.13861       19.36303 
1 1 1 -13 -5  2  o 241.471 5.4346  7087.63    318.415  7583.75    452.837  6602.44    447.819  249.565 7.4781  232.807 7.9276  16.75812       10.89816 
1 1 1 -13 -5  3  o 110.507 4.0456  1483.03    108.477  1906.95    180.016  1241.33    135.927  125.239 5.9239  100.904 5.5734  24.33469       8.133619 
1 1 1 -13 -5  4  o 150.433 4.0535  2748.09    147.957  2937.24    211.112  2565.49    207.422  155.458 5.5968  145.273 5.8844  10.18408       8.120986 
1 1 1 -13 -5  5  o 253.836 5.6886  7830.76    350.368  8175.71    497.383  7490.99    493.629  259.155 7.9098  248.034 8.2021  11.12108       11.39475 
1 1 1 -13 -5  6  o 174.921 6.2083  3719.53    263.499  0.0000     0.0000   3719.53    263.499  ?       ?       174.921 6.2083  0.000000       6.208330 
1 1 1 -13 -5  7  o 182.782 8.7231  4068.87    386.872  0.0000     0.0000   4068.87    386.872  ?       ?       182.782 8.7231  0.000000       8.723093 
1 1 1 -13 -5  8  o 157.308 6.0021  3007.59    229.096  2880.23    345.152  3107.89    306.297  153.469 9.3129  159.805 7.8993  -6.335785      12.21183 
1 1 1 -13 -5  9  o 266.692 8.2229  8657.86    532.105  9076.96    776.070  8286.05    730.974  272.598 11.733  260.477 11.566  12.12177       16.47513 
1 1 1 -13 -5  10 o 157.508 5.9037  3015.06    225.626  3249.86    339.976  2830.25    301.623  163.141 8.6192  152.264 8.1942  10.87709       11.89264 
1 1 1 -13 -5  11 o 182.856 4.4743  4060.62    198.519  4207.20    281.820  3916.25    279.689  186.037 6.2432  179.479 6.4224  6.558380       8.956840 
1 1 1 -13 -5  12 o 175.475 4.3696  3739.36    186.048  3876.47    264.048  3604.18    262.185  178.579 6.0938  172.183 6.2756  6.395950       8.747426 
1 1 1 -13 -5  13 o 237.341 5.3989  6844.93    310.914  7083.67    440.798  6608.56    438.607  241.264 7.5298  233.010 7.7578  8.253479       10.81113 
1 1 1 -13 -5  14 o 155.981 4.1574  2954.68    157.348  2905.08    223.144  3003.73    221.908  154.586 5.9491  157.195 5.8179  -2.609634      8.321079 
1 1 1 -13 -5  15 o 112.274 3.7118  1530.60    101.120  1628.52    143.637  1434.39    142.381  115.766 5.1135  108.637 5.4014  7.129036       7.437976 
1 1 1 -13 -5  16 o 239.747 5.4370  6986.87    316.286  7022.98    448.482  6951.14    446.119  240.133 7.6971  238.902 7.6960  1.231201       10.88463 
1 1 1 -13 -5  17 o 310.147 6.6680  11706.91   501.797  11609.08   710.757  11804.13   708.544  308.349 9.4998  310.951 9.3910  -2.602325      13.35803 
1 1 1 -13 -5  18 o 138.374 4.0005  2325.84    134.319  2408.84    190.749  2244.21    189.172  140.738 5.5858  135.835 5.7396  4.903625       8.009021 
1 1 1 -13 -5  19 o 274.248 6.0206  9152.74    400.635  9432.83    567.822  8875.08    565.354  278.007 8.4177  269.620 8.6418  8.387665       12.06392 
1 1 1 -13 -5  20 o 253.665 5.6813  7829.64    349.681  8130.52    495.628  7531.42    493.426  258.135 7.9131  248.393 8.1869  9.742310       11.38603 
1 1 1 -13 -5  21 o 397.698 8.1172  19313.68   783.293  19490.05   1109.18  19138.22   1106.31  398.222 11.479  394.577 11.555  3.644409       16.28799 
1 1 1 -13 -5  22 o 244.026 7.6930  7269.31    455.507  6939.52    624.403  7644.49    665.975  237.708 10.826  249.440 11.003  -11.73212      15.43604 
1 1 1 -13 -5  23 o 430.543 12.686  22881.96   1325.23  24067.74   1852.73  21639.70   1896.35  438.234 17.424  414.408 18.859  23.82620       25.67606 
1 1 1 -13 -5  24 o 166.751 6.1174  3387.22    247.516  3368.16    332.289  3410.98    370.978  166.005 8.2495  166.660 9.2096  -0.6540527     12.36415 
1 1 1 -13 -5  25 o 61.843  5.3033  468.802    78.811   539.175    99.427   349.848    129.267  66.234  6.2609  52.481  10.518  13.75323       12.24017 
1 1 1 -13 -5  26 f 260.610 5.9700  8271.20    377.512  8459.35    535.382  8085.15    532.395  263.072 8.3874  257.154 8.5325  5.917694       11.96458 
1 1 1 -13 -5  27 o 156.706 4.2614  2985.03    162.033  2967.82    230.067  3001.97    228.243  156.098 6.0743  157.001 5.9914  -0.9039001     8.531927 
1 1 1 -13 -5  28 o 132.378 4.0415  2129.76    129.813  2165.35    184.466  2094.85    182.713  133.363 5.7005  131.171 5.7407  2.192139       8.090240 
1 1 1 -13 -5  29 o 195.100 4.8884  4630.08    231.412  4464.73    329.300  4791.40    325.268  191.308 7.0940  198.233 6.7624  -6.924911      9.800800 
1 1 1 -13 -5  30 o 287.069 7.3780  10059.14   513.911  10297.42   920.735  9951.32    619.365  288.541 13.151  285.116 8.9529  3.425018       15.90930 
1 1 1 -13 -5  31 o 100.186 6.2444  1227.94    151.041  1270.61    258.186  1205.74    186.233  101.127 10.684  99.038  7.8133  2.088730       13.23597 
1 1 1 -13 -5  32 o 135.533 6.3734  2239.62    209.593  2112.42    337.143  2319.76    267.585  130.614 10.733  137.503 8.0553  -6.888519      13.41954 
1 1 1 -13 -5  33 o 252.661 6.4998  7787.56    398.475  7657.24    494.326  8029.35    673.348  250.147 8.1443  255.298 10.870  -5.150650      13.58255 
1 1 1 -13 -5  34 o 182.070 4.7427  4034.58    209.522  4016.29    299.436  4052.13    293.277  181.352 6.8049  182.189 6.6343  -0.8368683     9.503656 
1 1 1 -13 -5  35 o 246.992 5.5651  7437.33    333.519  7432.55    474.584  7442.01    468.804  246.292 7.9414  246.480 7.8387  -0.1878510     11.15848 
1 1 1 -13 -5  36 o 129.732 4.1565  2048.23    130.841  2012.23    186.036  2083.47    184.053  128.375 5.9725  130.651 5.8059  -2.275726      8.329368 
1 1 1 -13 -5  37 o 133.020 4.2115  2154.69    135.929  2151.58    193.019  2157.76    191.457  132.670 5.9960  132.870 5.9385  -0.1999359     8.439093 
1 1 1 -13 -5  38 o 171.507 4.5804  3587.00    190.611  3614.95    272.112  3560.07    267.087  171.719 6.5308  170.430 6.4587  1.289047       9.185069 
1 1 1 -13 -5  39 o 243.857 5.6216  7279.81    332.627  7295.06    474.534  7265.08    466.384  242.969 8.0492  242.537 7.9250  0.4320221      11.29582 
1 1 1 -13 -5  40 o 158.575 4.4686  3070.89    171.937  3013.16    246.014  3126.01    240.395  156.513 6.4781  159.505 6.2114  -2.991989      8.974765 
1 1 1 -13 -5  41 o 118.679 4.0877  1719.53    117.710  1706.07    167.492  1732.67    165.461  117.825 5.8586  118.770 5.7415  -0.9450607     8.202877 
1 1 1 -13 -5  42 o 42.445  5.0674  223.975    51.158   252.345    68.379   187.906    77.100   44.772  6.4829  38.056  8.5574  6.716530       10.73578 
1 1 1 -13 -5  43 o 72.499  5.1363  648.626    89.769   595.712    110.925  749.052    152.817  69.048  6.7054  76.939  8.3182  -7.891182      10.68434 
1 1 1 -13 -5  44 o 91.470  5.1990  1032.07    114.912  1034.42    144.199  1027.99    190.218  91.131  6.5652  89.917  8.8325  1.214073       11.00524 
1 1 1 -13 -5  45 o 43.537  4.8969  235.719    50.833   280.963    69.016   182.071    75.154   47.273  6.1635  37.330  8.4889  9.942814       10.49053 
1 1 1 -13 -5  46 o 94.835  4.1264  1101.45    94.951   1103.58    136.661  1099.47    132.021  94.253  6.0069  94.148  5.8075  0.1049042      8.355290 
1 1 1 -13 -5  47 o 110.368 4.1854  1493.02    112.085  1478.57    161.079  1506.59    156.066  109.046 6.1125  110.186 5.8584  -1.139732      8.466624 
1 1 1 -13 -5  48 o 45.237  8.1600  265.583    86.271   347.067    188.155  243.892    97.077   49.497  14.641  42.855  9.5768  6.642166       17.49485 
1 1 1 -13 -5  49 o 55.462  7.2256  392.209    94.929   391.858    192.098  392.322    109.193  52.209  14.596  54.997  8.4531  -2.787868      16.86706 
1 1 1 -13 -5  50 o 26.815  7.5935  93.561     51.646   87.394     70.337   100.776    76.077   26.728  9.0805  28.352  9.4438  -1.624468      13.10121 
1 1 1 -13 -5  51 o 50.178  4.8925  314.261    58.809   244.716    85.219   377.493    81.259   43.015  8.4664  54.588  6.2474  -11.57310      10.52187 
1 1 1 -13 -5  52 o 15.841  6.7581  2.2609     45.833   51.896     68.346   -38.3024   61.785   22.999  8.7886  15.655  7.1781  7.343665       11.34747 
1 1 1 -13 -5  53 o 54.862  5.6911  380.337    74.657   337.717    115.391  411.022    97.911   49.741  9.9088  56.345  7.3355  -6.604153      12.32854 
1 1 1 -13 -5  54 o 34.989  6.8044  160.376    55.688   122.078    84.761   189.461    73.867   30.333  9.9618  37.529  8.3293  -7.195663      12.98518 
1 1 1 -13 -5  55 o 34.795  9.4727  166.836    82.124   166.836    82.124   0.0000     0.0000   34.795  9.4727  ?       ?       0.000000       9.472692 
1 1 1 -13 -5  56 o 42.690  8.3666  244.771    83.566   244.771    83.566   0.0000     0.0000   42.690  8.3666  ?       ?       0.000000       8.366634 
1 1 1 -13 -5  57 o 43.378  7.3730  247.360    74.826   288.302    85.912   118.721    152.286  46.674  7.8658  32.568  12.924  14.10553       15.12925 
1 1 1 -13 -5  58 o 60.809  6.0888  470.893    88.631   449.053    103.544  530.760    171.429  58.704  7.4361  60.793  12.048  -2.089062      14.15761 
1 1 1 -13 -5  59 o 52.284  5.4987  346.433    68.712   319.986    92.440   379.086    102.716  49.075  8.0417  53.419  8.1855  -4.343399      11.47484 
1 1 1 -13 -5  60 o 71.951  6.4300  664.378    111.074  606.430    375.918  669.921    116.265  54.342  20.648  72.070  6.7264  -17.72802      21.71641 
1 1 1 -13 -4  1  o 68.157  3.3242  563.988    54.975   614.571    79.494   517.621    76.109   70.973  4.6417  65.089  4.8540  5.883644       6.716132 
1 1 1 -13 -4  2  o 137.627 3.8989  2300.06    130.200  2520.78    185.843  2087.29    182.466  144.023 5.3180  131.038 5.7388  12.98543       7.824017 
1 1 1 -13 -4  3  o 195.086 4.6708  4622.95    221.095  4918.25    314.637  4334.90    310.749  201.108 6.4479  188.782 6.7840  12.32649       9.359360 
1 1 1 -13 -4  4  o 598.525 11.905  43787.34   1728.94  46093.60   2447.02  41488.32   2443.17  611.999 16.479  580.173 17.355  31.82648       23.93225 
1 1 1 -13 -4  5  o 283.021 12.043  9789.19    826.987  0.0000     0.0000   9789.19    826.987  ?       ?       283.021 12.043  0.000000       12.04251 
1 1 1 -13 -4  6  o 263.444 8.2692  8448.10    528.582  0.0000     0.0000   8448.10    528.582  ?       ?       263.444 8.2692  0.000000       8.269152 
1 1 1 -13 -4  7  o 138.313 7.5506  2334.13    252.444  0.0000     0.0000   2334.13    252.444  ?       ?       138.313 7.5506  0.000000       7.550640 
1 1 1 -13 -4  8  o 208.880 7.0310  5305.73    356.352  5265.27    526.612  5339.91    483.996  207.524 10.492  209.348 9.5282  -1.823654      14.17303 
1 1 1 -13 -4  9  o 200.803 6.7853  4902.53    330.602  5141.03    490.067  4703.33    447.863  205.383 9.8339  196.485 9.3940  8.898285       13.59975 
1 1 1 -13 -4  10 o 146.445 4.1567  2604.00    147.700  2363.55    209.633  2841.02    208.135  139.449 6.1955  152.912 5.6097  -13.46298      8.357820 
1 1 1 -13 -4  11 o 265.644 5.7747  8575.20    372.216  8514.73    527.589  8635.13    525.206  264.485 8.2211  266.358 8.1264  -1.873444      11.55965 
1 1 1 -13 -4  12 o 280.967 6.0048  9594.84    409.373  9233.85    580.038  9953.12    577.850  275.357 8.6815  285.923 8.3292  -10.56674      12.03097 
1 1 1 -13 -4  13 o 589.629 11.595  42479.92   1658.82  42584.96   2347.30  42375.11   2344.54  588.250 16.445  586.788 16.467  1.462097       23.27251 
1 1 1 -13 -4  14 o 185.424 4.5489  4176.12    204.662  4157.73    290.233  4194.32    288.647  184.904 6.4690  185.721 6.4053  -0.8162537     9.103620 
1 1 1 -13 -4  15 o 133.925 3.9276  2178.01    127.630  2186.58    181.100  2169.55    179.897  134.125 5.5647  133.603 5.5494  0.5226746      7.858884 
1 1 1 -13 -4  16 o 65.706  3.7387  525.949    59.360   493.598    84.505   557.461    83.402   63.481  5.5418  67.534  5.1279  -4.053185      7.550294 
1 1 1 -13 -4  17 o 302.153 6.5431  11109.80   479.709  11246.35   679.545  10974.15   677.284  303.550 9.2262  299.838 9.3094  3.712189       13.10676 
1 1 1 -13 -4  18 o 356.218 7.5349  15462.45   651.263  15747.28   922.233  15179.10   919.821  358.715 10.596  352.135 10.765  6.579956       15.10503 
1 1 1 -13 -4  19 o 293.346 6.3861  10476.03   454.546  10871.36   644.065  10083.73   641.591  298.345 8.8971  287.266 9.2047  11.07825       12.80174 
1 1 1 -13 -4  20 o 172.485 4.4829  3616.13    187.617  3653.27    266.277  3579.51    264.395  173.208 6.3358  171.449 6.3556  1.759323       8.974151 
1 1 1 -13 -4  21 o 157.652 4.2827  3020.85    163.827  2981.05    232.379  3060.17    230.999  156.461 6.1211  158.535 6.0051  -2.073624      8.574890 
1 1 1 -13 -4  22 o 218.813 7.2429  5840.85    384.545  5954.81    524.752  5708.68    565.151  220.432 9.8110  215.325 10.852  5.107254       14.62941 
1 1 1 -13 -4  23 o 464.279 13.516  26669.41   1522.58  27369.63   2131.19  25939.42   2176.03  466.080 18.845  452.864 19.803  13.21573       27.33679 
1 1 1 -13 -4  24 o 219.224 7.0326  5861.76    374.085  5164.92    509.196  6678.88    551.392  205.174 10.228  233.438 9.7348  -28.26392      14.12026 
1 1 1 -13 -4  25 o 220.893 5.1935  5936.75    278.358  5974.04    394.711  5899.87    392.612  221.267 7.3519  219.888 7.3587  1.378967       10.40191 
1 1 1 -13 -4  26 o 300.893 6.4760  11032.95   472.806  11062.03   670.246  11004.15   667.065  300.614 9.1888  299.832 9.1691  0.7817688      12.98102 
1 1 1 -13 -4  27 o 253.631 5.7495  7831.88    353.833  7962.67    501.885  7702.62    498.920  255.298 8.1020  251.076 8.1896  4.222382       11.52005 
1 1 1 -13 -4  28 o 130.891 4.1179  2082.32    130.781  2298.96    186.897  1874.46    183.067  137.425 5.6050  124.053 6.0819  13.37173       8.270761 
1 1 1 -13 -4  29 o 219.563 5.1775  5865.85    275.829  6044.06    392.264  5691.56    387.935  222.556 7.2640  215.945 7.4038  6.611633       10.37213 
1 1 1 -13 -4  30 o 265.084 8.4846  8594.63    545.731  8725.97    807.655  8484.28    740.297  265.839 12.521  262.447 11.625  3.391479       17.08575 
1 1 1 -13 -4  31 o 95.792  6.1408  1122.73    141.980  1430.78    238.969  954.658    176.512  107.674 9.2361  87.956  8.3717  19.71751       12.46564 
1 1 1 -13 -4  32 o 122.468 6.2950  1833.32    186.428  1388.36    302.549  2105.67    236.704  105.382 12.049  131.080 7.4732  -25.69861      14.17825 
1 1 1 -13 -4  33 o 191.051 4.9021  4442.44    227.244  4455.02    323.312  4430.17    319.466  191.008 6.9760  190.486 6.9119  0.5222015      9.820328 
1 1 1 -13 -4  34 o 82.332  4.1019  824.402    81.945   752.278    115.335  897.926    116.448  78.296  6.1196  85.649  5.6348  -7.353409      8.318698 
1 1 1 -13 -4  35 o 77.678  4.1691  736.218    78.292   711.706    108.089  763.273    113.557  76.151  5.8958  78.865  5.9787  -2.714127      8.396749 
1 1 1 -13 -4  36 o 120.646 4.1503  1771.62    121.494  2209.07    174.658  1361.51    169.114  134.575 5.3489  105.290 6.6538  29.28442       8.537147 
1 1 1 -13 -4  37 o 44.859  5.0679  248.601    54.195   251.421    73.281   245.197    80.515   44.769  6.9731  44.026  7.8238  0.7431107      10.48027 
1 1 1 -13 -4  38 o 20.945  7.1402  49.764     43.491   31.706     59.181   70.968     64.127   20.679  8.1033  25.101  8.6664  -4.422272      11.86462 
1 1 1 -13 -4  39 o 129.046 4.2314  2031.23    132.493  2092.99    189.529  1972.20    185.290  130.645 5.9789  126.809 6.0220  3.835785       8.485938 
1 1 1 -13 -4  40 o 54.097  4.6147  360.208    59.994   369.900    81.736   348.887    88.338   54.497  6.2972  52.723  7.0846  1.773872       9.478766 
1 1 1 -13 -4  41 o 33.545  5.8778  142.263    46.098   153.922    60.463   126.078    71.239   34.614  7.4219  31.339  8.9336  3.275162       11.61441 
1 1 1 -13 -4  42 o 63.014  5.2805  490.907    79.993   548.868    99.292   383.715    135.030  66.421  6.2339  54.075  10.670  12.34576       12.35770 
1 1 1 -13 -4  43 o 106.311 5.3695  1393.53    138.060  1377.13    175.867  1419.88    222.869  105.122 6.9338  105.933 8.7490  -0.8102646     11.16345 
1 1 1 -13 -4  44 o 57.767  5.4045  414.349    74.872   428.556    91.020   384.618    131.668  58.458  6.5285  54.028  10.422  4.430199       12.29752 
1 1 1 -13 -4  45 f 35.895  6.1192  163.649    51.384   116.981    75.690   203.542    69.981   30.271  9.3570  39.751  7.5312  -9.479864      12.01129 
1 1 1 -13 -4  46 o 45.804  5.2675  261.744    57.477   226.977    83.515   293.029    79.223   41.712  8.5392  48.025  7.0048  -6.313206      11.04474 
1 1 1 -13 -4  47 o 74.009  5.2156  678.533    93.061   736.875    144.091  636.782    121.894  76.154  7.9135  71.034  7.1702  5.119919       10.67878 
1 1 1 -13 -4  48 o 26.231  8.7797  83.932     65.743   -202.7623  170.985  133.669    71.218   22.765  10.896  31.891  8.8772  -9.125744      14.05414 
1 1 1 -13 -4  49 o 42.880  8.1612  240.293    81.811   31.716     190.620  287.388    90.578   31.713  13.661  46.958  8.2507  -15.24525      15.95910 
1 1 1 -13 -4  50 o 20.749  7.3285  48.618     46.003   15.781     67.191   77.594     63.117   19.978  8.3330  25.282  8.6018  -5.304356      11.97622 
1 1 1 -13 -4  51 o 20.791  7.3235  49.353     45.910   117.769    67.701   -8.8944    62.468   29.844  8.7694  17.551  7.6867  12.29233       11.66141 
1 1 1 -13 -4  52 o 39.732  5.9779  201.780    55.845   276.608    78.481   125.033    79.481   46.163  7.2451  30.691  9.6052  15.47251       12.03126 
1 1 1 -13 -4  53 o 41.433  5.6431  218.461    55.256   240.130    79.683   198.388    76.692   42.556  8.0108  38.425  8.4552  4.130978       11.64742 
1 1 1 -13 -4  54 o 42.075  6.6281  229.450    65.429   359.146    89.297   79.109     96.142   52.575  7.1883  27.122  10.410  25.45232       12.65033 
1 1 1 -13 -4  55 o 29.287  9.2593  114.514    73.674   114.514    73.674   0.0000     0.0000   29.287  9.2593  ?       ?       0.000000       9.259349 
1 1 1 -13 -4  56 f 47.791  7.0579  297.409    79.381   336.049    91.276   177.463    160.816  50.552  7.6832  36.301  13.568  14.25113       15.59226 
1 1 1 -13 -4  57 o 34.847  8.7760  165.417    74.162   144.427    83.954   239.986    158.240  32.480  9.8194  40.399  13.621  -7.919449      16.79105 
1 1 1 -13 -4  58 o 17.639  7.1983  18.547     48.691   16.956     61.258   21.277     80.241   19.123  7.9650  21.584  9.0620  -2.460508      12.06482 
1 1 1 -13 -4  59 o ?       ?       -148.3742  40.045   -119.4931  47.690   -217.4233  73.739   9.9171  4.9427  11.537  5.8053  -1.620261      7.624407 
1 1 1 -13 -4  60 o 46.185  10.946  307.625    120.794  664.520    353.847  260.549    128.514  56.996  20.304  41.850  12.021  15.14585       23.59567 
1 1 1 -13 -3  1  o 101.300 3.5524  1245.91    87.318   1336.33    124.695  1158.90    122.312  104.876 4.9001  97.520  5.1877  7.356346       7.136065 
1 1 1 -13 -3  2  o 56.951  3.4493  395.194    47.440   398.249    68.853   392.433    65.456   57.033  5.0268  56.634  4.8088  0.3990326      6.956505 
1 1 1 -13 -3  3  o 387.711 7.9110  18296.64   744.224  18759.73   1054.05  17836.28   1050.94  391.971 11.083  382.146 11.334  9.825165       15.85197 
1 1 1 -13 -3  4  o 341.963 10.033  14258.11   832.488  0.0000     0.0000   14258.11   832.488  ?       ?       341.963 10.033  0.000000       10.03310 
1 1 1 -13 -3  5  o 111.050 5.0996  1497.99    137.411  0.0000     0.0000   1497.99    137.411  ?       ?       111.050 5.0996  0.000000       5.099631 
1 1 1 -13 -3  6  o 219.504 9.8844  5872.06    526.447  0.0000     0.0000   5872.06    526.447  ?       ?       219.504 9.8844  0.000000       9.884374 
1 1 1 -13 -3  7  o 231.855 7.4613  6538.42    419.755  6841.27    616.668  6276.95    572.983  236.842 10.731  226.899 10.407  9.943161       14.94871 
1 1 1 -13 -3  8  o 55.939  5.2378  383.439    70.266   599.212    114.928  254.638    88.795   69.869  6.8680  45.015  8.4397  24.85420       10.88103 
1 1 1 -13 -3  9  o 221.334 7.2633  5957.72    390.071  6095.51    574.260  5839.69    531.505  223.576 10.586  218.893 10.007  4.682480       14.56710 
1 1 1 -13 -3  10 f 211.061 4.9718  5410.67    254.616  5347.76    361.034  5472.91    359.136  209.705 7.0954  212.153 6.9766  -2.447845      9.950761 
1 1 1 -13 -3  11 o 118.459 3.7173  1703.57    106.847  1688.03    151.380  1719.00    150.831  117.878 5.2926  118.956 5.2256  -1.078682      7.437692 
1 1 1 -13 -3  12 o 344.411 7.1722  14427.86   599.367  13987.85   848.929  14865.20   846.341  338.653 10.331  349.172 9.9895  -10.51926      14.37094 
1 1 1 -13 -3  13 o 382.054 7.8447  17765.80   727.221  18169.97   1029.95  17363.99   1026.94  385.774 11.003  377.073 11.224  8.701477       15.71800 
1 1 1 -13 -3  14 o 55.000  3.8280  369.078    50.768   400.733    72.046   337.856    71.550   57.188  5.2507  52.414  5.7188  4.774685       7.763660 
1 1 1 -13 -3  15 o 107.293 3.7265  1397.77    97.014   1450.35    138.121  1346.58    136.293  109.248 5.2105  105.126 5.3610  4.122124       7.475966 
1 1 1 -13 -3  16 o 208.993 5.0544  5307.89    256.308  5685.79    363.852  4935.67    361.111  216.145 6.9377  201.340 7.3917  14.80486       10.13753 
1 1 1 -13 -3  17 f 291.760 6.3961  10357.57   452.797  10627.28   641.675  10090.07   639.037  295.119 8.9609  287.527 9.1597  7.592773       12.81403 
1 1 1 -13 -3  18 o 298.837 6.5277  10870.74   473.325  11191.77   670.778  10552.37   667.996  302.732 9.1318  293.907 9.3670  8.824982       13.08167 
1 1 1 -13 -3  19 o 108.169 3.7549  1421.24    98.552   1460.07    140.288  1383.40    138.477  109.572 5.2766  106.517 5.3753  3.055214       7.532379 
1 1 1 -13 -3  20 o 234.083 5.3607  6665.66    304.477  6548.42    431.700  6781.70    429.500  231.687 7.6792  235.806 7.5066  -4.119461      10.73869 
1 1 1 -13 -3  21 o 255.996 5.5705  7975.52    346.009  8450.46    490.747  7506.02    487.927  263.136 7.6862  247.913 8.1113  15.22346       11.17460 
1 1 1 -13 -3  22 o 190.889 6.6865  4441.72    309.699  4634.61    419.984  4211.81    458.508  194.636 8.8929  185.019 10.253  9.617477       13.57265 
1 1 1 -13 -3  23 o 287.134 8.7854  10086.04   612.085  9937.58    844.862  10250.04   887.985  283.898 12.265  288.159 12.700  -4.261688      17.65557 
1 1 1 -13 -3  24 o 226.249 7.2484  6245.19    397.919  5719.21    542.674  6856.87    585.216  215.882 10.360  236.421 10.202  -20.53925      14.53961 
1 1 1 -13 -3  25 o 216.925 5.0102  5724.11    263.712  5778.04    374.264  5670.94    371.640  217.655 7.0867  215.626 7.1033  2.029297       10.03384 
1 1 1 -13 -3  26 o 154.370 4.2886  2896.71    160.635  2946.76    228.356  2847.68    226.008  155.548 6.0504  152.906 6.0916  2.641510       8.585762 
1 1 1 -13 -3  27 o 150.069 4.1813  2737.31    152.252  2953.36    216.402  2525.53    214.249  155.752 5.7262  143.993 6.1322  11.75908       8.390003 
1 1 1 -13 -3  28 o 268.205 5.9814  8760.84    389.256  8924.75    552.847  8599.69    548.165  270.189 8.4328  265.202 8.5186  4.986755       11.98665 
1 1 1 -13 -3  29 o 256.463 5.8121  8009.45    361.676  8181.50    514.095  7840.84    508.919  258.729 8.1891  253.264 8.2815  5.464828       11.64667 
1 1 1 -13 -3  30 o 33.095  10.633  131.305    96.853   -48.1595   178.578  206.094    115.280  29.260  12.900  40.357  11.316  -11.09710      17.15955 
1 1 1 -13 -3  31 o 118.281 6.1013  1709.35    174.509  1911.12    285.431  1588.91    220.526  124.485 9.5219  113.725 8.0436  10.76041       12.46463 
1 1 1 -13 -3  32 o 126.317 6.5382  1951.40    199.706  990.114    327.864  2518.43    251.810  87.679  16.001  143.419 7.2597  -55.73999      17.57055 
1 1 1 -13 -3  33 o 62.407  4.4652  476.198    67.168   545.263    93.118   401.284    96.980   66.635  5.8175  56.869  7.1888  9.766529       9.247846 
1 1 1 -13 -3  34 o 50.032  4.9212  307.714    58.970   360.329    81.471   249.814    85.465   53.970  6.3423  44.462  8.2250  9.507927       10.38628 
1 1 1 -13 -3  35 o 140.497 4.2624  2402.29    145.307  2409.17    206.865  2395.59    204.152  140.473 6.0692  140.086 6.0061  0.3872375      8.538645 
1 1 1 -13 -3  36 o 8.4708  4.2039  -80.0731   33.035   -21.3925   41.303   -184.2733  55.038   13.371  6.0271  9.6750  4.8863  3.696321       7.758986 
1 1 1 -13 -3  37 o 110.170 4.0255  1478.12    107.609  1485.93    154.404  1470.73    150.053  110.087 5.8009  109.548 5.6646  0.5391312      8.107876 
1 1 1 -13 -3  38 o 52.926  4.3620  343.903    55.518   403.538    79.873   288.159    77.224   57.116  5.8457  47.969  6.8275  9.147575       8.988212 
1 1 1 -13 -3  39 o 135.498 4.1998  2239.89    138.079  2212.29    197.555  2266.24    193.069  134.255 6.0645  135.936 5.8535  -1.680954      8.428588 
1 1 1 -13 -3  40 o 107.244 3.9528  1403.28    102.858  1331.98    147.243  1471.24    143.747  103.973 5.8604  109.540 5.4083  -5.567055      7.974576 
1 1 1 -13 -3  41 o 32.216  5.7796  131.366    43.518   123.170    59.381   140.874    63.962   30.888  7.8936  32.999  8.0581  -2.111187      11.28010 
1 1 1 -13 -3  42 o 43.138  6.0792  233.814    61.866   211.205    73.992   286.345    112.784  40.530  7.8071  46.651  10.244  -6.121334      12.88001 
1 1 1 -13 -3  43 o 124.040 5.5931  1895.47    168.336  1904.60    216.108  1881.39    268.440  123.510 7.2429  121.734 9.1551  1.775658       11.67367 
1 1 1 -13 -3  44 o 8.5977  4.2280  -63.8376   30.808   -59.0256   39.150   -71.6628   49.925   10.630  5.1196  12.133  5.8283  -1.503551      7.757538 
1 1 1 -13 -3  45 o 55.718  4.7398  383.912    63.470   361.176    91.878   404.666    87.782   53.343  7.2893  56.760  6.4905  -3.416805      9.760185 
1 1 1 -13 -3  46 o 20.972  8.2154  35.162     60.812   34.097     69.619   38.590     124.917  21.860  8.7181  27.472  11.402  -5.612244      14.35336 
1 1 1 -13 -3  47 o 12.639  5.9225  -44.7662   45.660   -57.2198   69.315   -35.2197   60.687   15.971  7.4216  15.777  7.1882  0.1941175      10.33201 
1 1 1 -13 -3  48 o 62.238  7.0005  490.754    103.883  595.843    213.773  458.265    118.862  65.035  13.964  59.546  8.4650  5.488495       16.32953 
1 1 1 -13 -3  49 o 102.193 6.3820  1309.48    157.457  1303.10    292.743  1312.07    186.775  97.527  12.670  101.594 7.6326  -4.066986      14.79145 
1 1 1 -13 -3  50 o 41.096  5.7271  213.997    55.556   203.908    79.886   223.447    77.312   39.150  8.6410  41.245  8.0141  -2.095177      11.78528 
1 1 1 -13 -3  51 o 89.417  4.3475  986.175    94.323   1057.88    134.863  917.512    131.971  91.706  6.0955  85.207  6.4306  6.498505       8.860472 
1 1 1 -13 -3  52 o 25.607  7.2518  85.934     47.101   34.844     69.217   129.994    64.279   21.568  8.6611  31.157  8.3382  -9.589220      12.02249 
1 1 1 -13 -3  53 o 19.366  7.1959  38.845     45.105   -3.1883    65.608   76.520     62.113   18.261  7.9399  24.885  8.5328  -6.623800      11.65548 
1 1 1 -13 -3  54 o 53.087  7.4084  367.782    92.828   367.782    92.828   0.0000     0.0000   53.087  7.4084  ?       ?       0.000000       7.408418 
1 1 1 -13 -3  55 o 50.244  7.6896  332.046    90.763   332.046    90.763   0.0000     0.0000   50.244  7.6896  ?       ?       0.000000       7.689591 
1 1 1 -13 -3  56 o 18.332  7.8787  3.1232     63.129   3.0598     71.332   3.3526     135.590  19.368  8.3499  25.681  11.284  -6.312757      14.03734 
1 1 1 -13 -3  57 f 28.976  8.6790  112.461    65.810   109.452    73.890   124.004    144.739  28.772  9.2917  32.583  12.699  -3.811056      15.73529 
1 1 1 -13 -3  58 o 25.966  7.7090  89.072     52.092   75.651     68.138   107.949    80.811   25.042  8.9110  28.764  9.7334  -3.721960      13.19638 
1 1 1 -13 -3  59 o 31.635  7.7248  134.882    58.781   173.376    78.383   85.415     88.856   35.428  9.0773  26.998  10.086  8.429691       13.56954 
1 1 1 -13 -2  1  o 307.249 6.4977  11480.19   484.413  11894.33   686.073  11068.49   684.058  312.392 9.0512  301.304 9.3567  11.08771       13.01817 
1 1 1 -13 -2  2  o 149.121 4.0010  2700.08    144.769  2888.67    205.622  2514.72    203.858  154.184 5.4963  143.843 5.8408  10.34052       8.020240 
1 1 1 -13 -2  3  o 336.991 9.7978  13843.16   801.146  0.0000     0.0000   13843.16   801.146  ?       ?       336.991 9.7978  0.000000       9.797804 
1 1 1 -13 -2  4  o 439.749 12.558  23636.22   1339.90  0.0000     0.0000   23636.22   1339.90  ?       ?       439.749 12.558  0.000000       12.55753 
1 1 1 -13 -2  5  o 590.551 16.490  42838.96   2362.90  0.0000     0.0000   42838.96   2362.90  ?       ?       590.551 16.490  0.000000       16.49013 
1 1 1 -13 -2  6  o 359.774 10.436  15780.35   910.987  16700.89   1313.34  14926.73   1264.70  369.244 14.659  349.018 14.934  20.22659       20.92616 
1 1 1 -13 -2  7  o 270.709 8.3056  8918.08    545.557  9408.94    794.306  8479.74    750.616  277.629 11.791  263.571 11.737  14.05783       16.63700 
1 1 1 -13 -2  8  o 266.885 8.2080  8667.26    531.526  9199.34    774.089  8192.60    731.132  274.543 11.620  259.084 11.630  15.45898       16.44065 
1 1 1 -13 -2  9  o 347.670 7.2702  14699.45   613.303  14998.11   868.287  14402.09   866.399  350.781 10.201  343.711 10.389  7.070282       14.56005 
1 1 1 -13 -2  10 o 594.642 11.847  43175.85   1709.38  44077.16   2418.61  42276.30   2416.25  598.950 16.642  586.435 16.981  12.51477       23.77624 
1 1 1 -13 -2  11 o 429.879 8.7783  22501.57   915.627  22809.65   1296.11  22194.64   1293.68  432.037 12.364  426.136 12.512  5.901123       17.58999 
1 1 1 -13 -2  12 o 331.992 8.0126  13414.53   645.453  13922.47   795.604  12436.55   1103.97  337.969 9.7019  318.559 14.283  19.40973       17.26605 
1 1 1 -13 -2  13 o 141.676 3.9759  2437.20    136.677  2449.71    194.470  2424.98    192.133  141.980 5.6450  141.263 5.6054  0.7167664      7.955310 
1 1 1 -13 -2  14 o 305.967 6.4917  11384.72   481.942  11484.87   682.895  11285.34   680.250  306.946 9.1691  304.261 9.2142  2.685242       12.99903 
1 1 1 -13 -2  15 o 182.285 4.5541  4036.35    201.427  3926.68    285.818  4144.56    283.913  179.670 6.5562  184.603 6.3384  -4.933121      9.119169 
1 1 1 -13 -2  16 o 293.351 6.3279  10468.16   450.410  10206.17   638.276  10728.02   635.684  289.246 9.0945  296.594 8.8331  -7.348602      12.67807 
1 1 1 -13 -2  17 o 132.340 3.9504  2127.24    126.853  2077.64    179.836  2176.36    178.962  130.709 5.6703  133.787 5.5129  -3.077972      7.908538 
1 1 1 -13 -2  18 o 218.098 5.1878  5783.33    274.537  5804.76    389.390  5762.15    387.128  218.263 7.3526  217.462 7.3368  0.8005524      10.38697 
1 1 1 -13 -2  19 o 161.284 4.3546  3161.17    170.413  3130.65    242.177  3191.11    239.840  160.364 6.2239  161.915 6.1048  -1.551559      8.718114 
1 1 1 -13 -2  20 o 300.346 6.4269  10987.47   468.370  11268.51   663.942  10709.06   660.819  303.583 9.0134  295.902 9.2039  7.680817       12.88226 
1 1 1 -13 -2  21 o 424.183 12.268  22167.13   1262.65  21830.80   1764.08  22520.41   1808.03  417.742 17.404  424.168 17.567  -6.425903      24.72857 
1 1 1 -13 -2  22 o 224.391 7.4060  6144.48    403.229  6334.08    550.965  5925.79    591.717  227.283 9.9906  219.278 11.158  8.005127       14.97718 
1 1 1 -13 -2  23 o 223.104 7.3660  6074.19    398.750  6188.26    544.512  5942.26    585.559  224.641 9.9897  219.888 10.975  4.752945       14.84068 
1 1 1 -13 -2  24 o 43.685  4.4276  234.381    46.283   226.096    66.050   242.373    64.875   42.576  6.6078  44.177  6.2249  -1.600792      9.078076 
1 1 1 -13 -2  25 o 90.823  3.7686  1002.26    83.051   1120.98    117.873  885.226    117.035  95.859  5.0860  85.085  5.7019  10.77426       7.640594 
1 1 1 -13 -2  26 f 76.037  3.7596  702.471    69.362   702.595    98.759   702.351    97.440   75.792  5.4056  75.787  5.3328  0.5172729E-02  7.593373 
1 1 1 -13 -2  27 o 138.416 4.1417  2328.65    139.103  2296.02    199.304  2359.64    194.236  137.307 5.9822  139.216 5.7501  -1.909561      8.297586 
1 1 1 -13 -2  28 o 169.244 4.5127  3482.73    185.318  3500.33    264.148  3465.67    260.057  169.479 6.4234  168.646 6.3552  0.8332520      9.036007 
1 1 1 -13 -2  29 o 194.540 6.9688  4616.38    328.953  4649.06    500.929  4591.60    436.182  194.243 10.669  193.613 9.2847  0.6303101      14.14349 
1 1 1 -13 -2  30 o 22.445  8.7484  37.649     68.696   90.203     139.364  20.782     78.955   32.679  12.535  22.315  9.1433  10.36362       15.51540 
1 1 1 -13 -2  31 o 70.492  6.2113  610.329    105.154  1059.74    190.053  412.050    126.238  92.667  8.5489  57.243  9.4161  35.42332       12.71800 
1 1 1 -13 -2  32 f 106.245 3.8963  1372.17    100.443  1299.51    143.715  1441.55    140.437  103.113 5.7673  108.805 5.3195  -5.691826      7.845912 
1 1 1 -13 -2  33 o 93.679  3.9265  1067.01    89.250   1094.67    128.384  1041.14    124.159  94.612  5.6176  92.267  5.5719  2.344803       7.912287 
1 1 1 -13 -2  34 o 104.348 3.9408  1324.26    99.777   1370.74    143.340  1280.57    138.972  105.885 5.5991  102.330 5.6186  3.554909       7.932095 
1 1 1 -13 -2  35 o 153.034 4.3493  2851.08    161.500  2866.46    231.349  2836.47    225.552  153.170 6.2249  152.388 6.1000  0.7818451      8.715464 
1 1 1 -13 -2  36 o 144.386 4.2995  2539.20    150.627  2638.33    215.204  2444.00    210.898  146.896 6.0378  141.362 6.1486  5.533752       8.617405 
1 1 1 -13 -2  37 o 95.424  3.9662  1109.07    91.833   1096.36    131.867  1121.05    127.963  94.496  5.7790  95.603  5.5401  -1.107391      8.005584 
1 1 1 -13 -2  38 o 112.645 4.0146  1546.67    109.729  1530.20    156.447  1562.61    153.943  111.615 5.7967  112.971 5.6160  -1.356552      8.071012 
1 1 1 -13 -2  39 o 47.544  4.4704  278.469    50.966   303.931    72.657   253.806    71.509   49.361  6.2035  44.916  6.7718  4.444843       9.183715 
1 1 1 -13 -2  40 o 15.446  6.2591  12.491     36.504   -25.3975   49.691   56.905     53.801   14.617  6.5976  22.636  7.9311  -8.019534      10.31648 
1 1 1 -13 -2  41 o 99.368  4.8785  1210.15    117.626  1274.78    140.745  1060.47    214.202  101.638 5.7304  91.157  9.8404  10.48055       11.38730 
1 1 1 -13 -2  42 o 28.697  7.5296  106.281    53.085   95.539     65.001   127.795    91.988   27.649  8.6917  31.967  10.372  -4.318026      13.53229 
1 1 1 -13 -2  43 o 63.146  5.4471  494.494    82.641   585.250    100.858  309.070    144.164  68.547  6.1286  47.775  12.347  20.77186       13.78433 
1 1 1 -13 -2  44 o 34.459  6.2709  151.379    50.500   149.980    77.464   152.413    66.597   33.833  9.1956  34.187  8.1445  -0.3539696     12.28377 
1 1 1 -13 -2  45 o 68.638  4.4678  580.292    74.004   670.506    109.047  503.272    100.758  73.319  6.1874  63.306  6.6593  10.01286       9.090158 
1 1 1 -13 -2  46 o 102.742 4.2306  1294.21    105.466  1260.32    150.402  1327.00    147.931  100.612 6.1909  103.359 5.9233  -2.746925      8.568112 
1 1 1 -13 -2  47 o 70.085  6.5365  616.930    109.873  666.675    223.863  601.144    126.107  69.157  13.824  68.731  7.6937  0.4250946      15.82092 
1 1 1 -13 -2  48 o 39.389  8.1937  203.497    75.759   166.452    187.814  210.695    82.794   37.973  14.555  39.913  8.7871  -1.939320      17.00191 
1 1 1 -13 -2  49 o 47.247  5.2780  279.777    59.472   262.253    85.668   296.080    82.628   44.755  8.1907  47.943  7.3364  -3.187950      10.99587 
1 1 1 -13 -2  50 o 47.616  5.2842  284.696    60.022   311.093    86.426   260.104    83.421   49.010  7.5067  44.539  8.0138  4.471283       10.98053 
1 1 1 -13 -2  51 o 62.754  4.7194  490.065    71.333   471.972    103.377  506.510    98.557   60.603  7.1691  63.097  6.5321  -2.493988      9.698665 
1 1 1 -13 -2  52 o 38.891  6.0288  194.041    55.049   189.359    78.890   198.484    76.851   37.406  8.8331  38.447  8.4670  -1.040390      12.23580 
1 1 1 -13 -2  53 o 23.103  9.0570  49.040     73.955   49.040     73.955   0.0000     0.0000   23.103  9.0570  ?       ?       0.000000       9.057046 
1 1 1 -13 -2  54 o 25.223  9.1421  74.780     72.083   74.780     72.083   0.0000     0.0000   25.223  9.1421  ?       ?       0.000000       9.142085 
1 1 1 -13 -2  55 o 20.296  7.6855  41.285     51.966   34.989     68.716   49.696     79.423   21.418  8.6195  23.592  9.3423  -2.173882      12.71118 
1 1 1 -13 -2  56 o 20.419  8.3317  27.148     65.220   110.747    72.180   -344.7030  152.231  28.879  9.1687  17.758  8.8475  11.12049       12.74145 
1 1 1 -13 -2  57 o 53.339  5.2918  358.908    67.584   357.302    91.674   360.820    100.029  52.281  7.4363  52.170  8.1703  0.1112289      11.04771 
1 1 1 -13 -2  58 o 34.325  7.1617  156.249    57.717   157.602    74.980   154.282    90.421   33.882  8.9769  33.345  10.214  0.5365257      13.59802 
1 1 1 -13 -2  59 o 54.845  9.2668  411.678    118.926  300.169    335.570  427.696    127.181  43.517  18.415  55.571  9.7897  -12.05433      20.85523 
1 1 1 -13 -1  1  o 224.278 5.1873  6111.27    282.287  6228.41    399.048  5993.93    399.380  226.262 7.2686  221.949 7.4160  4.312729       10.38410 
1 1 1 -13 -1  2  o 362.586 10.587  16039.45   931.386  0.0000     0.0000   16039.45   931.386  ?       ?       362.586 10.587  0.000000       10.58655 
1 1 1 -13 -1  3  o 80.524  4.9562  790.551    96.366   0.0000     0.0000   790.551    96.366   ?       ?       80.524  4.9562  0.000000       4.956219 
1 1 1 -13 -1  4  o 166.230 6.0244  3357.98    242.988  0.0000     0.0000   3357.98    242.988  ?       ?       166.230 6.0244  0.000000       6.024357 
1 1 1 -13 -1  5  o 272.280 8.3988  9022.58    554.875  9268.63    808.183  8803.18    763.174  275.503 12.090  268.550 11.712  6.953033       16.83258 
1 1 1 -13 -1  6  o 243.453 10.674  7226.58    630.521  0.0000     0.0000   7226.58    630.521  ?       ?       243.453 10.674  0.000000       10.67384 
1 1 1 -13 -1  7  o 151.049 5.9152  2772.24    216.796  2616.26    328.133  2893.08    288.810  146.282 9.2930  154.028 7.7525  -7.745667      12.10207 
1 1 1 -13 -1  8  o 243.340 5.6537  7194.04    333.819  7376.76    472.471  7011.90    471.714  246.246 7.9075  240.063 8.0982  6.182999       11.31858 
1 1 1 -13 -1  9  o 286.573 6.2710  9980.88    436.048  10122.81   617.059  9839.32    616.271  288.356 8.8193  284.277 8.9344  4.079346       12.55404 
1 1 1 -13 -1  10 o 166.622 4.3185  3371.09    174.596  3361.54    246.966  3380.63    246.865  166.314 6.1199  166.786 6.1001  -0.4724274     8.640843 
1 1 1 -13 -1  11 o 77.073  3.5939  721.117    67.210   681.824    94.706   760.985    95.396   74.734  5.2562  78.994  5.0029  -4.260498      7.256475 
1 1 1 -13 -1  12 o 369.576 7.6786  16619.85   688.576  16365.18   974.333  16873.96   973.256  366.171 10.966  371.856 10.787  -5.684723      15.38220 
1 1 1 -13 -1  13 o 221.760 5.1614  5974.78    277.724  5872.32    393.444  6076.53    392.082  219.688 7.3810  223.488 7.2303  -3.800186      10.33231 
1 1 1 -13 -1  14 o 91.219  3.6627  1010.28    81.068   1043.74    115.285  977.551    114.021  92.539  5.1548  89.537  5.2715  3.001373       7.372975 
1 1 1 -13 -1  15 o 191.402 4.7677  4450.87    221.422  4528.29    314.009  4374.30    312.276  192.924 6.7080  189.609 6.7876  3.315063       9.542952 
1 1 1 -13 -1  16 o 264.245 5.8314  8491.03    373.888  8768.35    529.966  8216.23    527.556  268.228 8.1429  259.612 8.3749  8.616089       11.68103 
1 1 1 -13 -1  17 o 62.279  3.8216  472.849    57.471   562.405    81.379   383.745    81.173   67.841  4.9786  55.834  6.0905  12.00669       7.866413 
1 1 1 -13 -1  18 o 72.403  3.7012  638.377    64.805   631.062    91.928   645.605    91.371   71.842  5.3112  72.680  5.2159  -0.8375854     7.444072 
1 1 1 -13 -1  19 o 232.838 5.3238  6594.26    300.774  6810.74    426.836  6380.75    423.897  236.338 7.4433  228.725 7.6380  7.612762       10.66498 
1 1 1 -13 -1  20 o 371.382 7.8580  16835.36   708.105  17459.42   1003.06  16215.40   999.768  377.121 10.962  363.287 11.342  13.83405       15.77342 
1 1 1 -13 -1  21 o 221.582 7.3422  5990.26    394.752  6144.02    539.222  5812.69    579.477  223.888 9.9260  217.239 11.030  6.648834       14.83839 
1 1 1 -13 -1  22 o 286.682 8.8366  10054.74   614.678  10102.08   848.314  10002.42   891.894  286.272 12.213  284.590 12.916  1.682068       17.77569 
1 1 1 -13 -1  23 o 164.282 6.0656  3287.16    241.785  3084.94    324.208  3540.56    362.930  158.635 8.4533  169.899 8.8342  -11.26376      12.22712 
1 1 1 -13 -1  24 o 198.170 4.8877  4776.47    235.021  4945.96    333.809  4609.87    330.948  201.413 6.8304  194.423 7.0153  6.989960       9.791270 
1 1 1 -13 -1  25 o 196.219 4.8241  4682.56    229.682  4823.67    326.475  4544.27    323.187  198.919 6.7641  193.053 6.8994  5.865601       9.662065 
1 1 1 -13 -1  26 o 184.089 4.7126  4121.07    210.501  4219.92    299.233  4024.23    296.178  186.070 6.6278  181.693 6.7181  4.377060       9.437199 
1 1 1 -13 -1  27 o 52.322  4.3323  335.062    54.505   348.032    77.609   322.439    76.565   53.104  6.1362  51.061  6.3144  2.042797       8.804807 
1 1 1 -13 -1  28 o 269.130 5.7487  8819.25    375.405  9900.04    533.473  7759.04    528.369  284.732 7.7217  251.863 8.6459  32.86906       11.59207 
1 1 1 -13 -1  29 o 92.262  5.8498  1040.82    130.279  1068.16    222.111  1026.48    160.856  92.784  10.025  91.420  7.3128  1.364143       12.40894 
1 1 1 -13 -1  30 o 157.921 6.3871  3040.18    244.742  2980.32    383.195  3081.42    318.066  155.457 10.216  158.516 8.2984  -3.059052      13.16152 
1 1 1 -13 -1  31 o 132.793 5.9853  2148.97    192.854  2477.95    312.372  1946.33    245.156  141.895 9.1211  125.897 8.0678  15.99768       12.17722 
1 1 1 -13 -1  32 o 49.110  4.6223  296.020    54.432   349.496    77.606   244.241    76.365   53.192  6.1248  44.121  7.3949  9.071125       9.601968 
1 1 1 -13 -1  33 o 61.431  4.1936  461.162    62.135   473.248    88.730   449.532    87.039   62.010  5.9710  60.414  6.0177  1.595673       8.477345 
1 1 1 -13 -1  34 o 115.057 3.9958  1610.39    111.552  1646.14    159.581  1576.22    155.998  116.171 5.6614  113.677 5.6556  2.493385       8.002311 
1 1 1 -13 -1  35 o 8.8777  4.3711  -70.9925   33.271   26.086     45.270   -185.0248  49.064   18.349  7.1156  ?       ?       0.000000       7.115578 
1 1 1 -13 -1  36 o 85.152  3.9573  882.841    81.764   942.024    116.903  826.165    114.399  87.641  5.5257  82.007  5.7864  5.633621       8.000955 
1 1 1 -13 -1  37 o 115.001 4.0080  1611.41    111.839  1672.52    159.871  1552.84    156.510  116.916 5.6355  112.492 5.7532  4.423836       8.053472 
1 1 1 -13 -1  38 o 115.115 4.0693  1615.97    113.663  1703.29    162.408  1532.15    159.129  117.897 5.6773  111.624 5.8962  6.273430       8.185130 
1 1 1 -13 -1  39 o 20.932  6.6566  53.083     38.034   49.366     53.267   56.949     54.325   21.754  7.8628  22.703  7.9687  -0.9481163     11.19482 
1 1 1 -13 -1  40 o 46.808  4.7292  270.863    52.975   306.490    74.521   234.467    75.321   49.475  6.3545  42.890  7.5114  6.585129       9.838765 
1 1 1 -13 -1  41 o 83.873  5.3586  867.811    108.483  961.265    135.029  697.667    182.194  87.999  6.3669  73.397  10.532  14.60204       12.30706 
1 1 1 -13 -1  42 o 43.387  6.3766  237.548    65.127   187.482    78.299   349.951    117.320  37.902  8.6982  51.793  9.6917  -13.89112      13.02255 
1 1 1 -13 -1  43 f 42.477  5.1251  224.955    51.755   267.055    74.335   185.349    72.100   45.884  6.8896  37.771  8.1094  8.112938       10.64092 
1 1 1 -13 -1  44 o 50.250  5.1487  313.859    61.891   269.608    93.396   348.506    82.642   45.508  8.7762  52.589  6.6234  -7.080967      10.99508 
1 1 1 -13 -1  45 o 63.631  4.5289  499.383    69.467   505.741    102.197  493.923    94.712   63.416  6.7451  62.805  6.3000  0.6115646      9.229689 
1 1 1 -13 -1  46 o 49.965  4.9933  310.389    59.726   211.836    89.066   390.920    80.511   39.990  9.3469  55.843  6.0379  -15.85376      11.12751 
1 1 1 -13 -1  47 o 60.436  6.9443  462.593    99.984   267.084    220.969  512.926    112.118  44.553  16.026  63.496  7.4170  -18.94226      17.65954 
1 1 1 -13 -1  48 o 16.015  7.2066  -25.1646   58.758   369.257    172.322  -77.0563   62.504   50.886  13.667  13.988  6.6651  36.89820       15.20551 
1 1 1 -13 -1  49 o 40.070  6.0954  204.680    57.396   194.648    90.224   211.499    74.388   37.937  9.7488  40.144  7.9183  -2.206326      12.55941 
1 1 1 -13 -1  50 o 16.731  6.8988  12.968     45.307   -55.9371   71.198   59.856     58.733   16.185  7.5214  23.005  8.2638  -6.819469      11.17421 
1 1 1 -13 -1  51 o 62.682  4.6997  489.224    70.958   540.601    102.655  442.215    98.193   65.133  6.5860  58.649  7.0408  6.483997       9.640947 
1 1 1 -13 -1  52 o 79.467  4.3804  783.441    84.136   852.260    119.503  715.800    118.476  82.094  6.0418  74.914  6.5847  7.180099       8.936525 
1 1 1 -13 -1  53 f 65.138  6.9300  546.405    107.847  546.405    107.847  0.0000     0.0000   65.138  6.9300  ?       ?       0.000000       6.930026 
1 1 1 -13 -1  54 o 61.105  5.2220  469.597    76.680   538.725    105.907  393.431    111.169  64.687  6.8519  54.199  8.7515  10.48783       11.11473 
1 1 1 -13 -1  55 o 32.138  9.0775  140.831    73.904   107.674    84.177   252.347    154.375  28.891  9.9318  41.269  13.439  -12.37753      16.71045 
1 1 1 -13 -1  56 o 51.109  7.0136  338.892    84.684   358.590    99.688   287.824    160.508  52.028  8.1655  43.770  13.642  8.258129       15.89883 
1 1 1 -13 -1  57 o 13.884  6.3521  -28.6244   48.025   12.566     59.682   -104.2855  80.888   18.572  7.8074  15.482  7.4320  3.090104       10.77917 
1 1 1 -13 -1  58 o 27.456  7.7530  100.982    53.918   99.273     67.753   103.933    89.038   27.422  8.9017  28.591  10.185  -1.169434      13.52677 
1 1 1 -13 0   1  o 315.949 6.6808  12138.43   512.164  12565.30   723.527  11709.72   725.093  321.115 9.2860  309.936 9.6418  11.17856       13.38635 
1 1 1 -13 0   2  o 315.696 9.4106  12143.27   720.862  0.0000     0.0000   12143.27   720.862  ?       ?       315.696 9.4106  0.000000       9.410623 
1 1 1 -13 0   3  o 62.927  5.0375  484.054    76.271   0.0000     0.0000   484.054    76.271   ?       ?       62.927  5.0375  0.000000       5.037482 
1 1 1 -13 0   4  o 58.874  5.2463  424.363    74.158   390.926    127.579  441.425    91.136   55.840  9.7720  59.930  6.3648  -4.089428      11.66204 
1 1 1 -13 0   5  o 230.690 7.4870  6472.32    419.084  6482.31    615.133  6463.67    572.510  230.539 10.997  230.288 10.246  0.2512360      15.03007 
1 1 1 -13 0   6  o 318.821 9.8445  12383.86   761.563  10969.67   1099.73  13686.95   1055.65  298.818 15.218  334.653 13.001  -35.83429      20.01495 
1 1 1 -13 0   7  o 319.301 9.6627  12419.31   748.621  12047.84   1082.32  12760.05   1036.58  313.750 14.217  323.081 13.223  -9.330841      19.41567 
1 1 1 -13 0   8  o 236.391 5.4718  6788.44    313.852  7124.43    443.895  6452.56    443.814  242.026 7.5588  230.301 7.9422  11.72467       10.96421 
1 1 1 -13 0   9  o 63.698  3.7045  494.223    57.008   499.812    81.107   488.765    80.146   63.928  5.2759  63.214  5.2734  0.7147369      7.459465 
1 1 1 -13 0   10 o 61.102  3.7409  454.935    55.194   473.505    78.675   436.938    77.453   62.212  5.2613  59.729  5.4028  2.483116       7.541286 
1 1 1 -13 0   11 o 310.791 6.6420  11743.66   500.878  11491.88   708.330  11995.47   708.365  307.097 9.5060  313.782 9.3039  -6.685455      13.30135 
1 1 1 -13 0   12 o 311.391 6.6145  11790.24   499.764  11311.64   706.653  12269.15   706.893  304.632 9.5602  317.321 9.1810  -12.68912      13.25473 
1 1 1 -13 0   13 o 76.123  3.6585  703.545    67.576   809.400    95.925   599.259    95.212   81.481  4.8743  69.992  5.6546  11.48856       7.465460 
1 1 1 -13 0   14 o 337.043 8.0775  13835.56   660.578  14106.12   1128.65  13694.59   814.691  339.082 13.718  334.970 10.024  4.112030       16.98993 
1 1 1 -13 0   15 o 60.170  3.8799  441.485    56.343   438.216    80.204   444.671    79.169   59.779  5.5945  60.235  5.4766  -0.4562531     7.828926 
1 1 1 -13 0   16 o 338.009 7.0819  13910.84   580.825  14068.14   821.980  13753.98   820.842  339.314 9.9838  335.480 10.084  3.834167       14.19019 
1 1 1 -13 0   17 o 20.479  6.6008  49.542     37.303   52.486     52.922   46.636     52.588   22.255  7.8603  21.562  7.8095  0.6939602      11.08029 
1 1 1 -13 0   18 o 109.906 3.7285  1467.23    99.431   1417.89    140.856  1516.24    140.379  107.971 5.3765  111.663 5.1812  -3.691772      7.466725 
1 1 1 -13 0   19 o 328.927 7.0792  13188.45   565.001  13496.08   800.200  12882.61   797.869  331.980 9.9340  324.284 10.140  7.696075       14.19524 
1 1 1 -13 0   20 o 116.211 5.2925  1643.10    149.236  1488.98    195.683  1857.35    230.721  110.239 7.3580  123.114 7.7633  -12.87511      10.69617 
1 1 1 -13 0   21 o 87.715  5.0951  939.154    107.974  766.398    139.010  1201.90    171.434  78.919  7.3437  99.005  7.1853  -20.08589      10.27416 
1 1 1 -13 0   22 o 356.397 10.499  15593.35   907.943  15227.16   1262.11  15986.13   1307.13  350.131 14.856  358.658 15.020  -8.526917      21.12589 
1 1 1 -13 0   23 o 134.916 4.0936  2212.25    134.009  2181.19    189.921  2243.05    189.117  133.842 5.8481  135.735 5.7422  -1.893280      8.195912 
1 1 1 -13 0   24 o 240.526 5.3936  7040.28    314.776  7216.84    446.680  6866.10    443.655  243.163 7.5707  237.154 7.7100  6.008850       10.80550 
1 1 1 -13 0   25 o 9.5624  4.6286  -54.6986   32.987   -73.4007   49.356   -39.6009   44.345   12.045  5.7884  12.802  5.9449  -0.7572508     8.297414 
1 1 1 -13 0   26 o 13.342  5.8776  -10.9661   37.005   -14.5006   50.760   -6.9569    54.061   15.654  6.8905  16.770  7.2493  -1.116186      10.00157 
1 1 1 -13 0   27 o 146.575 4.3860  2611.91    155.988  2363.67    222.418  2852.20    218.827  139.254 6.5826  153.041 5.8929  -13.78632      8.834974 
1 1 1 -13 0   28 o 57.908  6.7634  414.371    93.240   329.230    172.222  449.674    110.899  50.713  13.681  60.190  7.7753  -9.476963      15.73600 
1 1 1 -13 0   29 f 223.589 7.7105  6106.61    418.306  5709.85    627.307  6424.31    561.326  214.820 12.084  228.772 10.112  -13.95204      15.75693 
1 1 1 -13 0   30 o 20.583  8.2860  23.371     63.520   63.178     131.208  11.186     72.595   30.345  12.010  20.812  8.6697  9.532204       14.81265 
1 1 1 -13 0   31 f 218.268 5.9237  5806.09    313.724  6030.04    391.249  5402.78    525.041  222.186 7.2573  209.587 10.324  12.59921       12.61987 
1 1 1 -13 0   32 o 225.159 5.1668  6173.71    282.274  6168.73    401.786  6178.56    396.655  224.632 7.3716  224.834 7.2709  -0.2022552     10.35402 
1 1 1 -13 0   33 o 142.632 4.2052  2475.00    145.536  2498.34    207.530  2452.43    204.150  143.100 5.9769  141.785 5.9341  1.315186       8.422422 
1 1 1 -13 0   34 o 98.952  3.9892  1191.32    95.780   1006.96    137.335  1365.91    133.648  90.568  6.2884  105.849 5.2037  -15.28056      8.162271 
1 1 1 -13 0   35 f 212.347 5.2105  5501.95    268.467  5490.71    382.045  5512.92    377.339  211.502 7.4445  211.964 7.3368  -0.4625702     10.45222 
1 1 1 -13 0   36 o 133.112 4.2100  2159.11    135.976  2206.30    193.781  2113.33    190.850  134.267 5.9481  131.401 5.9859  2.866455       8.438658 
1 1 1 -13 0   37 o 157.217 4.4857  3016.15    171.116  2981.31    243.968  3049.89    240.067  155.825 6.4526  157.658 6.2756  -1.832901      9.001035 
1 1 1 -13 0   38 o 78.009  4.0321  744.250    76.060   661.700    108.574  823.801    106.583  73.137  6.1759  81.833  5.3981  -8.695702      8.202554 
1 1 1 -13 0   39 o 34.334  5.3575  147.905    43.175   98.659     61.119   196.956    60.998   27.961  8.3614  39.459  6.6044  -11.49808      10.65510 
1 1 1 -13 0   40 o 16.166  6.3687  18.624     36.733   -51.4099   50.473   97.485     53.560   13.224  6.2062  27.594  7.7045  -14.36999      9.893235 
1 1 1 -13 0   41 o 33.889  7.1463  147.766    56.913   195.820    66.999   23.215     107.864  39.092  7.3329  25.208  10.540  13.88408       12.83986 
1 1 1 -13 0   42 o 127.327 5.7379  1999.60    177.269  2042.82    226.910  1931.91    283.976  127.836 7.3462  123.043 9.5874  4.792816       12.07835 
1 1 1 -13 0   43 o 61.785  4.1991  469.573    62.577   442.418    89.897   495.099    87.161   59.442  6.3302  63.079  5.7582  -3.636570      8.557396 
1 1 1 -13 0   44 o 155.695 4.5855  2975.31    173.230  3112.14    248.069  2845.09    242.011  158.337 6.4569  151.319 6.5914  7.017792       9.227036 
1 1 1 -13 0   45 o 164.931 5.2631  3354.05    210.623  3875.24    341.731  3034.77    267.465  175.424 8.0284  155.880 7.0715  19.54382       10.69871 
1 1 1 -13 0   46 o 115.460 6.3341  1662.98    176.775  1671.40    315.714  1659.14    213.356  112.096 11.784  114.570 7.7198  -2.474380      14.08746 
1 1 1 -13 0   47 o 15.051  6.8262  -28.3591   53.936   15.748     163.984  -33.7094   57.113   29.229  12.630  15.258  6.9601  13.97130       14.42119 
1 1 1 -13 0   48 o 17.546  7.1483  17.042     47.915   8.6913     69.571   24.576     66.087   19.767  8.3758  20.542  8.3848  -0.7745438     11.85156 
1 1 1 -13 0   49 o 28.811  6.9562  108.744    48.077   64.381     73.894   141.307    63.309   24.646  9.2000  32.640  8.0453  -7.993628      12.22157 
1 1 1 -13 0   50 o 41.602  5.8667  220.355    57.576   270.493    86.568   180.582    77.101   45.277  8.1809  36.636  8.7866  8.641052       12.00543 
1 1 1 -13 0   51 o 22.159  7.5726  59.266     48.919   117.541    75.916   17.887     63.971   29.777  9.3976  19.603  8.1500  10.17382       12.43932 
1 1 1 -13 0   52 o 19.205  8.3181  -0.0956    71.457   -0.0956    71.457   0.0000     0.0000   19.205  8.3181  ?       ?       0.000000       8.318147 
1 1 1 -13 0   53 o 39.423  9.3228  213.511    87.778   213.511    87.778   0.0000     0.0000   39.423  9.3228  ?       ?       0.000000       9.322758 
1 1 1 -13 0   54 o 59.502  5.1780  445.186    74.012   434.832    103.185  456.158    106.219  57.694  7.5523  59.093  7.5830  -1.399139      10.70226 
1 1 1 -13 0   55 o 21.527  8.6057  37.090     67.996   11.792     76.607   131.025    147.619  20.574  8.7561  33.132  12.849  -12.55878      15.54891 
1 1 1 -13 0   56 o 41.539  8.1996  231.072    79.710   237.941    91.019   208.467    165.113  41.690  9.2405  38.320  13.844  3.370075       16.64492 
1 1 1 -13 0   57 f 29.127  7.9151  114.094    57.400   190.652    75.578   9.7434     88.236   37.461  8.5087  21.639  9.3077  15.82203       12.61076 
1 1 1 -13 0   58 o 22.359  8.9332  42.914     73.223   -221.8395  205.222  81.536     78.382   24.078  11.627  26.038  9.5185  -1.959877      15.02629 
1 1 1 -13 1   1  f 351.975 10.356  15110.74   884.412  0.0000     0.0000   15110.74   884.412  ?       ?       351.975 10.356  0.000000       10.35569 
1 1 1 -13 1   2  o 77.290  4.9402  728.531    92.163   0.0000     0.0000   728.531    92.163   ?       ?       77.290  4.9402  0.000000       4.940227 
1 1 1 -13 1   3  o 165.607 8.2211  3337.62    330.351  0.0000     0.0000   3337.62    330.351  ?       ?       165.607 8.2211  0.000000       8.221148 
1 1 1 -13 1   4  o 283.233 8.6323  9764.86    593.244  10152.66   861.284  9414.80    818.311  288.308 12.312  277.659 12.146  10.64920       17.29495 
1 1 1 -13 1   5  o 241.237 7.8447  7079.37    459.180  6491.47    670.245  7599.36    630.347  230.274 12.037  249.684 10.405  -19.40967      15.91088 
1 1 1 -13 1   6  o 148.534 5.8175  2680.57    209.666  2631.69    316.459  2718.81    279.917  146.758 8.9294  149.304 7.7534  -2.546555      11.82576 
1 1 1 -13 1   7  o 238.018 5.5087  6882.32    318.144  7073.87    449.671  6690.34    450.177  241.156 7.6848  234.509 7.9115  6.646652       11.02943 
1 1 1 -13 1   8  o 273.898 6.0691  9116.45    403.343  9393.07    570.351  8839.71    570.475  277.806 8.4613  269.472 8.7249  8.334503       12.15388 
1 1 1 -13 1   9  o 168.561 4.9229  3450.87    201.343  3607.77    335.918  3362.91    251.533  172.190 8.0401  166.342 6.2320  5.847549       10.17257 
1 1 1 -13 1   10 o 74.560  3.6747  674.881    66.480   786.522    94.152   563.879    93.882   80.326  4.8535  67.879  5.7543  12.44662       7.527835 
1 1 1 -13 1   11 o 360.487 7.5510  15810.92   660.476  15864.02   933.917  15757.79   934.193  360.578 10.674  359.361 10.714  1.216858       15.12377 
1 1 1 -13 1   12 o 221.369 5.1527  5953.65    276.768  6047.97    391.230  5859.15    391.589  222.962 7.2317  219.443 7.3543  3.518509       10.31422 
1 1 1 -13 1   13 o 96.279  3.6897  1125.49    86.196   1178.70    122.077  1072.59    121.722  98.359  5.1329  93.795  5.3707  4.563652       7.429093 
1 1 1 -13 1   14 o 190.736 4.7693  4419.96    220.723  4475.31    311.704  4364.29    312.598  191.793 6.6980  189.391 6.8024  2.402191       9.546519 
1 1 1 -13 1   15 o 268.776 5.8848  8785.13    383.780  8892.74    542.828  8677.58    542.666  270.102 8.2827  266.799 8.3827  3.302948       11.78440 
1 1 1 -13 1   16 o 59.421  3.9475  430.762    56.591   379.719    79.981   481.935    80.083   55.544  6.0314  62.737  5.3107  -7.192474      8.036234 
1 1 1 -13 1   17 o 74.815  3.6673  679.832    66.573   713.099    94.039   646.411    94.258   76.414  5.1012  72.708  5.3810  3.706276       7.414673 
1 1 1 -13 1   18 o 223.250 5.2273  6061.77    283.160  6047.45    401.059  6076.00    399.842  222.704 7.4219  223.236 7.3818  -0.5310822     10.46782 
1 1 1 -13 1   19 o 366.160 9.0012  16396.31   799.712  16248.92   974.874  16699.57   1398.34  363.780 11.044  366.552 15.722  -2.772430      19.21378 
1 1 1 -13 1   20 o 220.253 7.1889  5917.28    384.194  5597.98    522.960  6291.68    566.288  213.672 10.087  226.472 10.305  -12.80029      14.42025 
1 1 1 -13 1   21 o 280.436 8.5728  9616.69    583.338  9170.15    803.187  10115.17   848.614  272.775 12.135  286.458 12.209  -13.68341      17.21415 
1 1 1 -13 1   22 o 169.717 6.1541  3508.70    253.429  3174.50    339.026  3931.96    381.534  160.875 8.7177  179.290 8.7703  -18.41412      12.36596 
1 1 1 -13 1   23 o 190.883 4.7784  4431.16    221.316  4374.91    314.137  4486.61    311.851  189.428 6.8346  191.850 6.6992  -2.421524      9.570271 
1 1 1 -13 1   24 o 192.941 4.7835  4527.20    223.941  4547.18    317.689  4507.48    315.720  193.131 6.7793  192.288 6.7668  0.8433075      9.578582 
1 1 1 -13 1   25 o 187.694 4.7518  4284.22    216.406  4348.19    307.316  4221.30    304.789  188.866 6.7060  186.085 6.7503  2.781860       9.515140 
1 1 1 -13 1   26 o 52.523  4.3442  337.641    54.866   327.143    79.997   346.965    75.393   51.398  6.5644  53.047  5.9606  -1.649014      8.866829 
1 1 1 -13 1   27 o 257.091 5.7108  8047.51    356.248  8625.79    506.192  7479.98    501.462  265.747 7.8502  247.358 8.3550  18.38914       11.46442 
1 1 1 -13 1   28 o 85.463  5.8406  893.648    120.391  959.736    211.270  861.869    146.505  87.881  10.091  83.723  7.2844  4.157478       12.44539 
1 1 1 -13 1   29 o 155.620 6.3030  2951.89    238.002  3087.03    374.972  2860.72    307.996  158.325 9.8091  152.708 8.3438  5.616241       12.87782 
1 1 1 -13 1   30 f 133.809 5.9425  2181.84    192.939  2632.48    314.869  1910.90    244.143  146.315 8.9115  124.732 8.1109  21.58273       12.04996 
1 1 1 -13 1   31 o 55.061  4.4571  371.195    59.037   428.412    85.243   318.451    81.842   58.975  6.0423  50.624  6.8378  8.350826       9.124937 
1 1 1 -13 1   32 o 57.872  4.2145  409.540    58.774   421.750    85.890   398.789    80.599   58.479  6.1450  56.881  5.9269  1.598541       8.537494 
1 1 1 -13 1   33 o 111.154 4.0014  1502.99    107.919  1554.24    154.943  1454.70    150.399  112.738 5.6824  109.056 5.7035  3.682259       8.051118 
1 1 1 -13 1   34 o 8.7210  4.3195  -80.2938   34.229   -70.4249   47.291   -91.1524   49.606   11.769  5.6581  11.352  5.5364  0.4164143      7.916173 
1 1 1 -13 1   35 o 89.524  3.9498  975.821    85.798   973.663    123.267  977.848    119.494  89.069  5.7342  89.294  5.5425  -0.2256546     7.975005 
1 1 1 -13 1   36 o 111.733 4.0167  1521.18    108.896  1562.67    155.671  1481.43    152.386  112.859 5.7032  109.872 5.7359  2.987312       8.088696 
1 1 1 -13 1   37 o 120.438 4.0792  1768.93    119.207  1835.17    170.698  1705.88    166.547  122.360 5.7494  117.957 5.8190  4.403671       8.180283 
1 1 1 -13 1   38 o 27.801  6.3745  98.851     42.083   112.981    58.606   83.810     60.465   29.673  7.9706  26.209  8.3992  3.463598       11.57918 
1 1 1 -13 1   39 o 43.730  4.7477  236.794    49.567   225.359    69.827   248.407    70.373   42.135  7.0811  44.367  6.7499  -2.232174      9.782804 
1 1 1 -13 1   40 o 82.328  5.3564  836.272    106.417  850.456    131.685  809.572    180.669  82.666  6.6207  79.578  9.5473  3.087982       11.61831 
1 1 1 -13 1   41 o 39.923  6.6449  202.460    62.106   239.398    73.388   109.252    116.577  43.331  7.2351  31.596  11.599  11.73584       13.67088 
1 1 1 -13 1   42 o 21.977  7.5864  55.326     49.140   87.013     56.526   -42.7149   99.428   26.280  8.0799  20.740  9.3496  5.539810       12.35721 
1 1 1 -13 1   43 o 49.288  5.1194  301.997    60.331   308.901    89.522   296.253    81.659   49.118  7.7701  48.258  7.1937  0.8596001      10.58879 
1 1 1 -13 1   44 o 60.744  4.8171  456.322    70.417   507.875    105.569  414.999    94.516   63.476  6.9690  57.320  6.9369  6.155590       9.832924 
1 1 1 -13 1   45 o 51.438  5.0692  329.027    62.446   235.308    94.301   402.221    83.337   42.147  9.4539  56.614  6.1664  -14.46709      11.28720 
1 1 1 -13 1   46 o 53.479  7.2731  364.910    91.929   497.763    200.686  329.630    103.417  59.231  14.156  50.223  8.8076  9.008175       16.67264 
1 1 1 -13 1   47 o 15.677  7.0272  -21.7006   55.276   -207.3044  162.185  2.6924     58.796   21.745  10.460  17.914  7.6486  3.831467       12.95828 
1 1 1 -13 1   48 o 35.098  6.5610  159.107    53.821   269.759    81.691   74.240     71.543   45.561  7.6615  25.434  9.1223  20.12660       11.91281 
1 1 1 -13 1   49 o 32.620  6.5825  138.337    50.304   69.425     76.051   191.940    67.073   25.218  9.3490  38.264  7.4924  -13.04646      11.98084 
1 1 1 -13 1   50 o 49.789  5.3597  312.207    63.729   387.049    92.510   244.608    87.919   54.783  7.1284  42.705  8.7781  12.07742       11.30788 
1 1 1 -13 1   51 f 82.759  6.2970  869.112    125.499  869.112    125.499  0.0000     0.0000   82.759  6.2970  ?       ?       0.000000       6.296994 
1 1 1 -13 1   52 o 59.398  7.0116  455.845    99.105   455.845    99.105   0.0000     0.0000   59.398  7.0116  ?       ?       0.000000       7.011571 
1 1 1 -13 1   53 o 69.918  4.7906  610.652    80.782   593.649    111.930  629.137    116.706  67.909  6.8883  69.875  6.9768  -1.966324      9.804254 
1 1 1 -13 1   54 o 26.844  9.2547  90.899     73.117   71.187     82.679   161.631    156.621  25.583  9.6926  35.249  13.344  -9.665684      16.49248 
1 1 1 -13 1   55 o 47.635  7.3802  297.077    82.543   304.944    93.871   270.257    173.329  47.782  8.4035  42.383  14.255  5.398460       16.54787 
1 1 1 -13 1   56 o 18.197  7.3261  23.156     49.662   -8.9230    64.385   70.271     78.029   17.670  7.7694  25.162  9.4418  -7.492525      12.22751 
1 1 1 -13 1   57 o 27.401  7.9175  100.574    55.601   16.887     74.245   207.442    83.900   20.565  8.6798  38.801  9.0737  -18.23536      12.55671 
1 1 1 -13 2   1  o 343.950 10.078  14424.70   841.039  0.0000     0.0000   14424.70   841.039  ?       ?       343.950 10.078  0.000000       10.07760 
1 1 1 -13 2   2  o 439.339 17.797  23768.78   1897.23  0.0000     0.0000   23768.78   1897.23  ?       ?       439.339 17.797  0.000000       17.79734 
1 1 1 -13 2   3  o 607.985 16.778  45425.38   2475.09  48578.61   3522.97  42352.02   3478.07  625.087 23.228  582.799 24.595  42.28735       33.82987 
1 1 1 -13 2   4  o 345.291 10.178  14531.94   852.715  14794.32   1228.02  14287.63   1184.98  347.551 14.562  341.606 14.296  5.945160       20.40669 
1 1 1 -13 2   5  o 277.574 8.4624  9377.19    569.952  9895.42    827.463  8909.37    786.188  284.687 11.979  270.129 11.995  14.55862       16.95192 
1 1 1 -13 2   6  o 283.117 6.0276  9740.23    414.068  9802.66    584.987  9677.55    586.177  283.797 8.4952  281.973 8.5676  1.824646       12.06530 
1 1 1 -13 2   7  o 349.881 7.2808  14887.10   618.105  14935.93   873.795  14838.20   874.469  350.039 10.288  348.885 10.330  1.153839       14.57908 
1 1 1 -13 2   8  o 593.662 11.703  43026.89   1685.72  42440.99   2383.73  43613.04   2384.23  587.695 16.716  595.856 16.491  -8.160889      23.48152 
1 1 1 -13 2   9  o 434.315 8.8139  22969.11   928.830  23429.30   1313.60  22508.97   1313.53  437.866 12.364  429.116 12.615  8.749542       17.66396 
1 1 1 -13 2   10 o 331.270 6.8680  13344.93   552.044  12832.12   780.647  13857.90   780.768  324.431 9.9167  337.210 9.5424  -12.77887      13.76224 
1 1 1 -13 2   11 o 139.074 4.5115  2349.05    152.239  2485.19    191.020  2112.02    252.049  143.010 5.5049  131.486 7.9375  11.52399       9.659594 
1 1 1 -13 2   12 f 303.509 6.4549  11202.18   475.362  10915.81   672.096  11488.83   672.431  299.231 9.2568  307.021 9.0264  -7.790009      12.92920 
1 1 1 -13 2   13 o 180.536 4.5679  3959.29    200.099  3939.05    282.583  3979.65    283.384  179.959 6.4716  180.885 6.4567  -0.9258881     9.141667 
1 1 1 -13 2   14 o 282.803 6.2049  9727.92    425.780  9886.18    602.002  9569.50    602.285  284.739 8.7134  280.118 8.8613  4.621704       12.42761 
1 1 1 -13 2   15 o 134.288 4.0057  2190.37    130.519  2349.06    184.600  2031.76    184.563  138.996 5.4735  129.246 5.8852  9.750092       8.037127 
1 1 1 -13 2   16 o 215.559 5.1340  5649.24    268.528  5697.45    379.554  5600.92    379.958  216.251 7.2335  214.402 7.3037  1.848572       10.27950 
1 1 1 -13 2   17 o 165.184 4.4166  3316.05    177.018  3403.37    250.411  3228.82    250.272  167.207 6.1721  162.849 6.3338  4.358795       8.843766 
1 1 1 -13 2   18 o 297.219 6.3871  10759.35   460.621  10599.72   651.496  10918.91   651.336  294.409 9.1200  298.844 8.9825  -4.435486      12.80079 
1 1 1 -13 2   19 o 423.154 12.244  22058.55   1257.12  21638.67   1753.51  22502.58   1803.20  415.917 17.375  424.027 17.526  -8.110168      24.67940 
1 1 1 -13 2   20 o 229.586 7.4802  6433.10    416.697  6313.34    567.458  6573.25    613.872  226.832 10.310  231.291 10.938  -4.458664      15.03160 
1 1 1 -13 2   21 o 222.550 7.3246  6043.68    395.524  5918.36    537.647  6191.49    583.926  219.663 10.087  224.518 10.719  -4.853943      14.71887 
1 1 1 -13 2   22 o 40.846  4.7291  205.595    46.003   225.164    64.690   185.575    65.433   42.507  6.4767  38.375  7.2939  4.132298       9.754425 
1 1 1 -13 2   23 o 84.413  3.7809  865.777    77.440   904.402    109.611  827.285    109.422  86.053  5.2750  82.262  5.5139  3.791451       7.630802 
1 1 1 -13 2   24 o 79.317  3.8199  764.421    73.516   724.747    104.807  802.849    103.147  76.955  5.6525  81.059  5.2731  -4.104149      7.730160 
1 1 1 -13 2   25 o 137.741 4.1272  2305.97    137.939  2343.80    196.911  2269.51    193.290  138.740 5.8493  136.524 5.8349  2.215225       8.262027 
1 1 1 -13 2   26 o 166.296 4.5179  3362.51    182.298  3506.06    259.796  3223.27    255.865  169.630 6.3120  162.626 6.4842  7.004059       9.049102 
1 1 1 -13 2   27 o 191.400 6.9593  4468.50    323.197  4315.21    493.014  4584.03    427.991  187.050 10.910  193.485 9.1164  -6.435471      14.21753 
1 1 1 -13 2   28 o 18.755  7.7673  10.932     57.784   134.035    127.530  -20.8707   64.820   34.902  12.212  17.524  7.7464  17.37778       14.46139 
1 1 1 -13 2   29 o 52.057  7.0624  336.718    86.904   855.159    170.867  155.812    100.933  83.152  8.5927  35.484  10.775  47.66742       13.78199 
1 1 1 -13 2   30 o 94.880  3.8924  1094.32    89.610   1199.48    129.305  997.148    124.300  99.099  5.3979  90.290  5.7030  8.808548       7.852473 
1 1 1 -13 2   31 o 88.022  3.9382  942.058    84.112   1003.05    120.066  883.279    117.869  90.569  5.4895  84.934  5.7534  5.634995       7.952157 
1 1 1 -13 2   32 o 102.741 3.9592  1283.81    98.698   1330.38    141.923  1240.20    137.350  104.305 5.6285  100.695 5.6443  3.609917       7.971080 
1 1 1 -13 2   33 o 158.598 4.4098  3062.49    169.699  3166.28    242.516  2962.91    237.542  160.984 6.2086  155.714 6.2871  5.269623       8.835965 
1 1 1 -13 2   34 o 147.230 4.3370  2640.45    154.934  2814.20    221.823  2474.94    216.494  151.714 6.0258  142.230 6.2732  9.484329       8.698503 
1 1 1 -13 2   35 o 96.223  3.9718  1127.73    92.732   1161.85    132.607  1095.07    129.727  97.313  5.6402  94.457  5.6867  2.856308       8.009423 
1 1 1 -13 2   36 o 106.183 3.9780  1374.21    102.492  1363.70    147.380  1384.05    142.628  105.352 5.7876  106.190 5.5548  -0.8380280     8.022003 
1 1 1 -13 2   37 o 47.725  4.6812  280.977    53.511   253.769    77.026   306.357    74.393   44.777  7.3443  49.531  6.3352  -4.753727      9.699114 
1 1 1 -13 2   38 o 16.385  6.3679  20.899     36.316   46.121     52.604   -2.0680    50.198   21.314  7.7968  16.395  7.0355  4.919132       10.50183 
1 1 1 -13 2   39 o 97.984  4.0135  1172.85    95.420   1277.79    136.666  1073.05    133.286  101.809 5.5534  93.166  5.9269  8.643188       8.122065 
1 1 1 -13 2   40 o 12.404  5.8174  -44.6453   44.223   -65.2563   51.586   12.497     85.894   12.734  6.0641  22.219  9.3547  -9.485418      11.14825 
1 1 1 -13 2   41 o 61.259  5.5971  466.184    82.277   478.859    99.411   438.623    146.594  61.775  6.7417  57.615  10.885  4.159386       12.80365 
1 1 1 -13 2   42 o 23.876  6.5707  72.979     39.265   76.344     55.331   69.565     55.728   24.919  8.0399  24.135  8.0833  0.7832756      11.40087 
1 1 1 -13 2   43 o 68.651  4.4639  580.514    73.954   612.952    107.839  551.713    101.612  70.003  6.4204  66.397  6.3859  3.606079       9.055448 
1 1 1 -13 2   44 o 93.666  4.2390  1075.73    96.340   1142.46    139.190  1014.36    133.479  95.840  6.0159  90.243  6.1322  5.597481       8.590458 
1 1 1 -13 2   45 o 60.273  6.6625  458.210    95.808   347.828    207.066  488.279    108.073  49.361  15.512  62.003  7.3250  -12.64217      17.15498 
1 1 1 -13 2   46 o 18.132  7.9883  -14.1376   68.363   262.486    166.812  -69.9761   74.946   43.447  13.954  16.184  7.5848  27.26348       15.88194 
1 1 1 -13 2   47 o 50.295  6.2466  320.431    74.590   392.565    95.468   207.398    119.507  55.352  7.2852  38.897  11.706  16.45549       13.78752 
1 1 1 -13 2   48 o 47.590  5.7463  286.112    65.011   189.547    88.942   396.890    95.263   37.380  9.7165  55.582  7.2351  -18.20206      12.11430 
1 1 1 -13 2   49 o 59.447  5.0860  441.873    72.655   556.025    98.871   307.868    107.125  66.271  6.2215  47.714  9.5857  18.55694       11.42773 
1 1 1 -13 2   50 o 42.493  9.1024  244.515    91.024   244.515    91.024   0.0000     0.0000   42.493  9.1024  ?       ?       0.000000       9.102370 
1 1 1 -13 2   51 o 20.170  8.4305  18.230     68.974   18.230     68.974   0.0000     0.0000   20.170  8.4305  ?       ?       0.000000       8.430518 
1 1 1 -13 2   52 o 19.044  7.5414  29.139     51.753   94.555     68.578   -57.4040   78.878   27.044  8.9643  17.063  7.9251  9.981037       11.96521 
1 1 1 -13 2   53 o 13.402  6.2847  -48.1469   51.586   -55.3215   68.151   -38.5210   78.940   15.666  7.3063  17.954  8.1872  -2.288161      10.97322 
1 1 1 -13 2   54 o 21.876  8.5225  44.337     65.171   78.022     71.833   -112.3924  154.948  25.523  9.1422  23.124  10.859  2.399050       14.19512 
1 1 1 -13 2   55 o 45.194  7.6942  269.792    81.350   285.426    91.711   212.089    176.193  46.120  8.5088  38.668  14.250  7.452160       16.59744 
1 1 1 -13 2   56 o 32.888  7.6970  145.236    60.333   108.180    80.062   193.936    91.782   28.719  9.6883  37.215  9.9655  -8.495340      13.89872 
1 1 1 -13 2   57 o 61.180  7.8500  495.303    113.844  0.0000     0.0000   495.303    113.844  ?       ?       61.180  7.8500  0.000000       7.850009 
1 1 1 -13 3   1  o 350.927 14.515  15097.28   1235.91  0.0000     0.0000   15097.28   1235.91  ?       ?       350.927 14.515  0.000000       14.51466 
1 1 1 -13 3   2  o 123.063 5.3735  1839.88    160.454  2238.76    248.508  1554.72    210.123  135.445 7.5922  112.780 7.7251  22.66509       10.83134 
1 1 1 -13 3   3  o 217.532 7.1659  5754.63    378.232  5883.64    555.358  5643.02    516.550  219.665 10.420  215.179 9.8934  4.485291       14.36827 
1 1 1 -13 3   4  o 223.389 7.2186  6068.65    391.271  6541.94    574.815  5660.03    534.106  231.658 10.226  215.480 10.215  16.17868       14.45446 
1 1 1 -13 3   5  o 61.707  3.6422  463.847    54.291   459.375    76.300   468.433    77.268   61.279  5.1801  61.882  5.1940  -0.6038132     7.335644 
1 1 1 -13 3   6  o 228.131 5.2308  6321.88    289.543  6664.80    408.974  5977.27    409.979  234.105 7.1998  221.670 7.6224  12.43520       10.48513 
1 1 1 -13 3   7  o 213.718 5.0342  5547.90    261.056  5686.04    368.653  5408.96    369.729  216.241 7.0261  210.893 7.2253  5.348450       10.07829 
1 1 1 -13 3   8  o 118.878 3.7780  1715.68    108.975  1717.28    153.829  1714.06    154.400  118.893 5.3323  118.781 5.3572  0.1121902      7.558637 
1 1 1 -13 3   9  o 347.051 7.2766  14650.98   612.752  14132.91   865.819  15170.83   867.308  340.378 10.483  352.718 10.134  -12.34027      14.58082 
1 1 1 -13 3   10 o 383.465 7.7941  17896.54   725.197  17325.46   1025.04  18468.83   1026.13  376.655 11.216  388.962 10.873  -12.30685      15.62073 
1 1 1 -13 3   11 o 58.718  3.8444  420.423    54.469   394.173    77.775   445.693    76.308   56.659  5.7363  60.335  5.2652  -3.676018      7.786345 
1 1 1 -13 3   12 o 107.065 3.7552  1391.87    97.555   1540.95    138.403  1244.68    137.527  112.614 5.0651  101.036 5.6322  11.57779       7.574801 
1 1 1 -13 3   13 o 201.856 4.9698  4951.31    243.414  5161.27    344.222  4741.30    344.257  205.938 6.8887  197.355 7.1891  8.583664       9.956734 
1 1 1 -13 3   14 o 291.111 6.4014  10311.58   452.168  10625.45   639.469  9997.73    639.455  295.099 8.9307  286.198 9.2083  8.900879       12.82772 
1 1 1 -13 3   15 o 303.077 6.5797  11182.04   483.866  11248.27   684.198  11115.79   684.382  303.460 9.2922  301.655 9.3503  1.805115       13.18225 
1 1 1 -13 3   16 o 108.044 3.7858  1417.98    99.247   1363.58    141.021  1471.36    139.702  105.735 5.5158  109.996 5.2343  -4.261803      7.604104 
1 1 1 -13 3   17 o 236.683 5.4847  6815.44    314.982  7094.21    445.608  6537.07    445.296  241.160 7.6153  231.443 7.9294  9.716125       10.99397 
1 1 1 -13 3   18 o 238.733 7.7547  6956.51    449.203  7055.10    612.424  6841.70    660.879  239.809 10.525  235.889 11.547  3.920425       15.62363 
1 1 1 -13 3   19 o 196.833 6.8717  4723.94    328.192  4850.23    442.146  4569.00    489.765  199.062 9.1540  192.657 10.517  6.405060       13.94274 
1 1 1 -13 3   20 o 288.500 8.9497  10185.54   626.499  10363.07   861.735  9986.50    912.446  289.914 12.250  284.219 13.231  5.695099       18.03114 
1 1 1 -13 3   21 o 221.839 5.9321  5993.07    319.311  6147.31    537.323  5908.87    397.019  223.927 9.8893  220.039 7.4361  3.888290       12.37311 
1 1 1 -13 3   22 o 209.801 4.9807  5354.20    253.548  5357.19    358.516  5351.21    358.625  209.583 7.0500  209.465 7.0561  0.1177826      9.974508 
1 1 1 -13 3   23 o 150.948 4.2653  2769.66    156.222  2682.07    221.521  2856.31    220.346  148.387 6.1525  153.154 5.9295  -4.765991      8.544700 
1 1 1 -13 3   24 o 154.074 4.2873  2885.64    160.280  2845.32    228.400  2924.76    224.980  152.834 6.1590  154.971 5.9831  -2.136581      8.586699 
1 1 1 -13 3   25 o 255.189 5.7732  7929.08    357.472  8104.69    507.239  7755.81    503.863  257.547 8.1169  251.915 8.2432  5.632294       11.56869 
1 1 1 -13 3   26 o 248.983 5.6648  7547.72    342.231  7808.74    485.799  7290.55    482.197  252.824 7.9191  244.245 8.1364  8.579666       11.35400 
1 1 1 -13 3   27 o 29.808  8.5542  111.174    65.104   -299.2160  140.267  223.860    73.501   18.175  8.9537  42.209  7.4490  -24.03399      11.64717 
1 1 1 -13 3   28 o 118.309 5.7876  1704.93    166.143  1951.65    276.039  1564.79    208.046  125.893 9.0978  112.923 7.6379  12.97063       11.87891 
1 1 1 -13 3   29 o 176.574 7.5677  3810.12    324.230  978.150    495.596  5929.21    428.705  85.429  23.276  220.171 8.0248  -134.7421      24.62015 
1 1 1 -13 3   30 o 56.276  4.3676  387.533    59.172   383.662    84.524   391.254    82.864   55.724  6.3656  56.311  6.1655  -0.5870476     8.861948 
1 1 1 -13 3   31 o 43.923  4.9959  237.944    52.296   271.370    75.807   207.591    72.238   46.632  6.9088  40.540  7.6237  6.092442       10.28842 
1 1 1 -13 3   32 o 133.294 4.1604  2161.98    134.557  2147.82    192.699  2175.45    187.973  132.645 5.9872  133.521 5.8020  -0.8755493     8.337280 
1 1 1 -13 3   33 o 8.3201  4.1444  -86.0276   33.330   -95.8751   46.955   -76.0273   47.318   10.689  5.2488  11.530  5.5717  -0.8418064     7.654669 
1 1 1 -13 3   34 o 109.366 4.0715  1456.77    108.043  1500.11    155.103  1415.93    150.589  110.612 5.7992  107.455 5.7971  3.156914       8.199857 
1 1 1 -13 3   35 o 62.445  4.1505  477.379    62.529   418.917    89.317   533.575    87.569   58.086  6.4458  65.814  5.5350  -7.727566      8.496208 
1 1 1 -13 3   36 o 139.214 4.2577  2364.85    143.822  2321.31    205.592  2406.58    201.265  137.495 6.1625  140.062 5.9222  -2.566635      8.546878 
1 1 1 -13 3   37 o 106.581 4.0342  1386.33    104.327  1347.97    149.962  1422.31    145.233  104.575 5.9345  107.524 5.5859  -2.948845      8.149879 
1 1 1 -13 3   38 o 24.738  6.5736  78.223     40.131   106.603    57.386   51.061     56.142   28.820  7.9486  22.180  8.0637  6.639551       11.32273 
1 1 1 -13 3   39 o 34.996  7.1504  157.283    58.666   206.930    70.679   47.314     105.191  40.175  7.5271  26.480  10.662  13.69535       13.05113 
1 1 1 -13 3   40 o 117.855 5.6313  1711.62    161.034  1682.43    204.183  1759.66    261.926  116.032 7.2894  117.646 9.2503  -1.614632      11.77720 
1 1 1 -13 3   41 o 12.209  5.6895  -37.5373   41.205   -18.9354   46.432   -106.4784  89.388   14.425  6.4550  16.847  8.0114  -2.422071      10.28834 
1 1 1 -13 3   42 o 57.055  5.0558  403.488    69.268   360.241    96.689   449.085    99.281   53.128  7.7268  59.671  6.9895  -6.542702      10.41907 
1 1 1 -13 3   43 o 19.877  7.8066  30.691     55.033   41.778     74.405   17.300     81.773   22.995  9.0625  21.965  9.1800  1.030588       12.89970 
1 1 1 -13 3   44 o 22.481  7.9270  56.947     53.803   96.406     73.993   12.678     78.373   27.975  9.3133  21.224  8.9358  6.750647       12.90683 
1 1 1 -13 3   45 o 56.237  8.1188  407.653    107.576  172.995    205.329  496.436    126.298  39.085  15.155  61.933  8.6397  -22.84821      17.44473 
1 1 1 -13 3   46 o 105.782 6.9458  1411.21    177.289  835.230    307.120  1699.08    217.118  74.030  17.393  115.557 7.7889  -41.52648      19.05715 
1 1 1 -13 3   47 o 33.344  7.4099  145.933    58.394   155.522    79.570   134.741    85.964   34.042  9.3478  31.942  9.9881  2.100393       13.67998 
1 1 1 -13 3   48 o 88.047  4.6277  960.852    98.519   983.146    138.039  937.705    140.652  88.172  6.4980  85.935  6.8011  2.237167       9.406298 
1 1 1 -13 3   49 f 23.866  7.7612  71.783     51.496   96.860     76.604   51.108     69.557   27.731  9.4762  22.978  8.8454  4.753256       12.96299 
1 1 1 -13 3   50 o 16.104  7.4850  -53.9946   70.559   -53.9946   70.559   0.0000     0.0000   16.104  7.4850  ?       ?       0.000000       7.485001 
1 1 1 -13 3   51 o 61.704  5.1652  478.336    76.622   479.781    101.846  476.452    116.307  60.938  7.0161  60.082  8.1916  0.8556519      10.78552 
1 1 1 -13 3   52 o 48.722  5.9515  303.136    68.896   183.397    90.577   467.515    106.126  36.288  9.9770  59.881  7.4663  -23.59325      12.46138 
1 1 1 -13 3   53 o 18.943  8.0580  8.6763     64.821   11.322     71.380   -3.7654    154.795  19.926  8.4656  26.839  11.912  -6.913298      14.61391 
1 1 1 -13 3   54 o 28.925  9.3860  110.704    75.329   105.520    85.047   129.579    162.281  28.721  9.9767  33.597  13.338  -4.875822      16.65665 
1 1 1 -13 3   55 o 24.443  8.0182  76.276     54.919   85.090     70.674   62.842     87.254   26.113  9.0933  25.192  9.8483  0.9205513      13.40441 
1 1 1 -13 3   56 o 28.603  7.0167  109.075    48.329   97.724     57.420   136.653    89.501   27.044  8.1083  31.557  10.230  -4.512621      13.05364 
1 1 1 -13 4   1  o 294.441 8.7269  10558.49   623.476  12135.40   901.678  9113.80    863.048  315.164 11.791  272.912 13.033  42.25177       17.57524 
1 1 1 -13 4   2  o 265.039 8.2451  8550.60    530.236  8708.78    768.833  8407.13    732.238  267.005 11.867  262.395 11.501  4.610352       16.52577 
1 1 1 -13 4   3  o 133.581 5.6386  2168.12    182.758  1911.76    276.653  2366.61    243.439  124.945 9.1900  139.308 7.2268  -14.36326      11.69108 
1 1 1 -13 4   4  o 211.701 5.0011  5443.69    256.893  5695.11    362.486  5190.00    364.122  216.419 6.9029  206.573 7.2646  9.845062       10.02118 
1 1 1 -13 4   5  o 204.762 4.8593  5092.34    241.429  5150.45    340.682  5033.72    342.186  205.815 6.8219  203.462 6.9313  2.352997       9.725329 
1 1 1 -13 4   6  o 139.624 4.0621  2367.01    137.619  2349.08    194.091  2385.14    195.158  139.039 5.7531  140.103 5.7408  -1.063705      8.127455 
1 1 1 -13 4   7  o 276.730 6.0216  9307.20    404.327  9782.17    571.197  8830.19    572.415  283.477 8.3043  269.279 8.7608  14.19797       12.07118 
1 1 1 -13 4   8  o 293.571 6.2142  10476.36   442.650  9970.58    624.342  10987.54   627.674  286.091 8.9940  300.378 8.6120  -14.28693      12.45226 
1 1 1 -13 4   9  o 605.805 11.886  44858.96   1747.11  43322.66   2470.01  46397.20   2471.56  592.945 17.168  613.938 16.591  -20.99243      23.87497 
1 1 1 -13 4   10 o 194.264 4.7060  4584.17    221.824  4334.00    311.446  4841.72    316.015  188.760 6.8000  199.531 6.5273  -10.77074      9.425799 
1 1 1 -13 4   11 o 143.108 4.1003  2487.16    142.379  2470.85    198.590  2504.40    204.237  142.569 5.7407  143.527 5.8646  -0.9583893     8.206650 
1 1 1 -13 4   12 o 69.174  3.8136  582.839    63.761   578.966    87.505   587.223    93.099   68.817  5.2807  69.278  5.5859  -0.4607468     7.686883 
1 1 1 -13 4   13 o 299.956 6.5012  10948.39   473.164  10930.24   669.106  10966.55   669.204  299.256 9.2149  299.755 9.2009  -0.4992371     13.02187 
1 1 1 -13 4   14 o 360.755 7.5965  15860.00   664.956  15883.16   940.595  15836.85   940.183  360.209 10.762  359.681 10.773  0.5288086      15.22730 
1 1 1 -13 4   15 o 297.695 6.4807  10790.14   468.120  10945.13   662.207  10635.33   661.836  299.304 9.1184  295.009 9.2460  4.295563       12.98584 
1 1 1 -13 4   16 o 172.199 4.4971  3604.20    187.901  3694.16    265.778  3514.30    265.686  174.180 6.2887  169.871 6.4459  4.308716       9.005406 
1 1 1 -13 4   17 o 160.713 6.0921  3145.16    237.566  3074.61    316.388  3236.35    359.703  158.444 8.2582  162.395 9.1661  -3.951172      12.33757 
1 1 1 -13 4   18 o 222.947 7.3637  6064.81    398.351  5958.08    540.164  6192.06    589.810  220.425 10.099  224.534 10.826  -4.108353      14.80545 
1 1 1 -13 4   19 o 470.578 13.541  27400.74   1546.08  26912.72   2159.70  27913.74   2214.28  461.764 19.276  470.145 19.411  -8.381256      27.35546 
1 1 1 -13 4   20 o 220.353 7.1181  5923.10    380.582  5219.92    515.220  6767.57    564.614  206.246 10.295  234.938 9.9045  -28.69237      14.28619 
1 1 1 -13 4   21 o 218.656 5.1891  5817.11    275.308  5808.74    389.782  5825.44    388.907  218.181 7.3628  218.499 7.3355  -0.3180847     10.39328 
1 1 1 -13 4   22 o 294.856 6.4229  10594.01   459.522  10702.33   650.409  10486.06   649.318  295.719 9.0645  292.693 9.1428  3.025269       12.87465 
1 1 1 -13 4   23 o 247.566 5.6851  7461.27    341.503  7538.16    483.410  7384.66    482.508  248.415 8.0200  245.859 8.0883  2.556564       11.39034 
1 1 1 -13 4   24 o 129.879 4.0899  2050.21    128.890  2021.76    180.887  2079.55    183.701  128.859 5.7854  130.687 5.7932  -1.827927      8.187259 
1 1 1 -13 4   25 o 239.421 5.5133  6977.71    320.286  6877.38    453.398  7077.65    452.509  237.281 7.8750  240.738 7.7467  -3.456482      11.04663 
1 1 1 -13 4   26 o 259.213 8.5588  8219.52    538.311  7564.29    793.090  8779.26    733.026  246.900 13.287  267.073 11.312  -20.17313      17.45015 
1 1 1 -13 4   27 o 96.077  6.0402  1129.09    140.094  1302.62    228.852  1025.09    177.169  102.692 9.2849  91.219  8.0885  11.47279       12.31395 
1 1 1 -13 4   28 o 118.058 6.1687  1703.53    176.092  1496.90    281.722  1836.02    225.592  109.797 10.711  122.342 7.6377  -12.54476      13.15528 
1 1 1 -13 4   29 o 192.355 4.9802  4503.84    232.441  4384.48    329.026  4622.76    328.417  189.456 7.1574  194.572 6.9563  -5.116577      9.980957 
1 1 1 -13 4   30 o 82.361  4.1608  827.140    82.881   920.416    114.461  724.329    120.169  86.742  5.4663  76.759  6.5136  9.982872       8.503378 
1 1 1 -13 4   31 o 67.925  4.3113  563.694    70.688   495.712    97.532   638.920    102.597  63.387  6.4303  72.125  5.9146  -8.737419      8.736773 
1 1 1 -13 4   32 o 150.797 10.365  2827.49    376.938  2688.87    507.304  2998.34    563.210  145.328 14.583  153.149 15.363  -7.820877      21.18264 
1 1 1 -13 4   33 o 48.838  4.8774  293.746    57.025   284.151    77.147   305.303    84.667   47.673  6.8675  49.363  7.2881  -1.689705      10.01393 
1 1 1 -13 4   34 o 15.404  6.5272  1.6102     42.254   18.559     52.503   -29.5478   71.186   18.583  7.5147  17.881  7.9978  0.7013741      10.97429 
1 1 1 -13 4   35 o 127.061 4.2779  1969.49    131.888  1913.49    185.802  2026.37    187.242  124.880 6.1319  128.541 6.0034  -3.660522      8.581427 
1 1 1 -13 4   36 o 59.506  4.3429  434.668    62.273   405.326    85.714   467.470    90.625   57.078  6.2937  61.372  6.1693  -4.294918      8.813086 
1 1 1 -13 4   37 o 26.779  6.8754  91.951     44.903   76.731     59.521   112.055    68.408   25.311  8.3496  29.705  8.8376  -4.394341      12.15807 
1 1 1 -13 4   38 o 63.688  5.0291  500.562    77.084   469.463    91.321   577.632    143.760  61.388  6.2166  67.269  9.0361  -5.881016      10.96804 
1 1 1 -13 4   39 o 99.078  5.5140  1211.97    132.033  1180.04    165.920  1267.09    218.015  97.215  7.0827  99.859  9.0976  -2.644379      11.52959 
1 1 1 -13 4   40 o 54.838  5.8260  375.179    76.333   340.627    91.435   454.638    138.659  51.751  7.5003  58.997  10.046  -7.245502      12.53726 
1 1 1 -13 4   41 o 30.012  7.4983  116.911    54.447   141.215    80.037   95.976     74.283   32.903  9.4970  28.031  9.3316  4.871223       13.31435 
1 1 1 -13 4   42 o 42.921  6.1653  232.645    62.364   239.354    87.009   225.557    89.434   42.814  8.6728  41.403  9.1463  1.411461       12.60449 
1 1 1 -13 4   43 o 78.030  4.6336  750.771    87.335   844.378    122.748  654.805    124.286  82.262  6.1952  72.020  7.2090  10.24132       9.505253 
1 1 1 -13 4   44 o 14.076  6.8088  -110.5973  71.108   -146.0972  151.377  -100.5463  80.547   22.435  10.596  15.792  7.5360  6.643115       13.00266 
1 1 1 -13 4   45 o 40.548  10.188  221.973    100.110  88.473     190.991  272.546    117.552  34.167  14.133  44.715  10.927  -10.54781      17.86490 
1 1 1 -13 4   46 o 11.646  5.6954  -99.1494   53.576   -182.3885  70.502   14.619     82.423   11.925  5.9540  21.671  9.1459  -9.745867      10.91316 
1 1 1 -13 4   47 o 19.296  7.7957  24.318     56.444   -105.9507  77.692   169.934    82.141   15.103  7.2591  35.464  9.3956  -20.36038      11.87317 
1 1 1 -13 4   48 o 37.065  6.5052  177.722    56.370   195.763    82.669   162.044    77.065   38.033  9.0831  34.606  9.0684  3.427341       12.83504 
1 1 1 -13 4   49 o 20.509  8.7343  10.473     76.314   10.473     76.314   0.0000     0.0000   20.509  8.7343  ?       ?       0.000000       8.734281 
1 1 1 -13 4   50 o 42.994  9.2086  252.159    93.170   252.159    93.170   0.0000     0.0000   42.994  9.2086  ?       ?       0.000000       9.208610 
1 1 1 -13 4   51 o 13.528  6.3091  -43.1927   50.810   -99.2820   67.389   30.699     77.348   13.758  6.6486  21.949  9.0280  -8.191044      11.21200 
1 1 1 -13 4   52 o 54.876  5.5450  381.234    72.820   349.257    96.276   423.987    111.320  51.389  7.9799  56.488  8.3755  -5.098820      11.56841 
1 1 1 -13 4   53 o 39.586  9.1989  214.794    86.674   175.963    95.967   386.669    201.901  35.494  10.444  49.402  15.284  -13.90854      18.51163 
1 1 1 -13 4   54 o 18.408  7.9368  1.9055     64.463   -29.9439   70.738   157.916    156.559  17.300  7.8345  34.957  13.315  -17.65705      15.44903 
1 1 1 -13 4   55 o 8.9591  4.3116  -40.4814   27.635   -23.7263   29.081   -196.4829  88.736   10.402  4.8248  13.898  6.8962  -3.495913      8.416373 
1 1 1 -13 4   56 o 47.613  9.6312  315.644    107.446  0.0000     0.0000   315.644    107.446  ?       ?       47.613  9.6312  0.000000       9.631176 
1 1 1 -13 5   1  o 193.487 6.5285  4551.99    306.499  5504.24    454.214  3755.90    415.306  212.571 8.8063  175.241 9.8065  37.33049       13.18022 
1 1 1 -13 5   2  o 191.954 4.6976  4475.24    218.794  4703.81    308.288  4243.29    310.567  196.697 6.4594  186.796 6.8521  9.901398       9.416777 
1 1 1 -13 5   3  o 156.850 4.2120  2987.36    160.302  3118.04    225.778  2854.52    227.637  160.180 5.8091  153.248 6.1219  6.932373       8.439385 
1 1 1 -13 5   4  o 266.561 5.8816  8635.24    380.417  8705.62    537.122  8564.39    538.864  267.421 8.2778  265.232 8.3731  2.188416       11.77417 
1 1 1 -13 5   5  o 158.032 4.2505  3032.61    162.987  3130.09    230.168  2934.57    230.830  160.484 5.9108  155.381 6.1225  5.103195       8.510170 
1 1 1 -13 5   6  o 186.361 4.5878  4218.00    207.453  4149.19    292.862  4287.29    293.905  184.733 6.5336  187.787 6.4503  -3.054367      9.181203 
1 1 1 -13 5   7  o 178.842 4.5049  3884.48    195.487  3932.51    276.003  3836.13    276.921  179.852 6.3246  177.628 6.4251  2.223587       9.015710 
1 1 1 -13 5   8  o 244.781 5.5641  7281.52    330.474  7422.62    466.803  7139.74    467.919  246.942 7.7907  242.173 7.9631  4.768982       11.14027 
1 1 1 -13 5   9  o 150.523 4.1381  2751.50    151.138  2822.71    213.455  2679.92    214.029  152.387 5.7729  148.475 5.9410  3.912827       8.283795 
1 1 1 -13 5   10 o 112.696 3.8648  1542.23    105.682  1537.45    146.906  1547.36    152.146  112.473 5.3830  112.828 5.5575  -0.3550110     7.737099 
1 1 1 -13 5   11 o 244.456 5.5167  7264.45    327.224  7224.13    461.373  7305.26    464.170  243.533 7.8078  244.897 7.8114  -1.363312      11.04447 
1 1 1 -13 5   12 o 308.200 6.6242  11559.89   495.368  11547.16   699.641  11572.69   701.475  307.550 9.3755  307.887 9.3898  -0.3368530     13.26908 
1 1 1 -13 5   13 o 140.380 4.1233  2393.94    140.447  2434.67    196.764  2351.64    200.535  141.482 5.7317  139.035 5.9443  2.446548       8.257546 
1 1 1 -13 5   14 o 275.113 6.0079  9210.46    401.048  8752.93    566.107  9671.43    568.233  267.743 8.7140  281.521 8.3186  -13.77740      12.04711 
1 1 1 -13 5   15 o 253.884 5.7160  7843.45    352.119  7948.78    498.339  7738.43    497.603  255.208 8.0476  251.791 8.1448  3.417633       11.44995 
1 1 1 -13 5   16 o 392.535 8.1662  18817.04   777.793  18947.39   1100.35  18686.87   1099.58  392.605 11.551  389.864 11.624  2.740814       16.38701 
1 1 1 -13 5   17 o 238.387 7.6557  6936.87    442.824  6682.27    603.124  7234.63    652.254  233.303 10.654  242.638 11.079  -9.334824      15.37050 
1 1 1 -13 5   18 o 418.061 12.463  21562.17   1264.24  22860.81   1761.85  20183.77   1815.15  427.431 16.988  400.348 18.686  27.08228       25.25358 
1 1 1 -13 5   19 o 164.159 6.1716  3282.97    245.824  3141.58    326.242  3468.69    373.908  160.081 8.4289  168.067 9.2039  -7.986420      12.48027 
1 1 1 -13 5   20 o 58.035  4.0784  411.354    57.066   420.832    80.117   401.593    81.303   58.517  5.7155  57.119  5.9538  1.398357       8.253190 
1 1 1 -13 5   21 o 257.106 5.9102  8049.71    368.702  7934.79    521.491  8164.57    521.355  254.771 8.4359  258.462 8.3133  -3.690887      11.84379 
1 1 1 -13 5   22 o 156.929 4.3302  2993.74    164.885  3168.65    233.410  2819.51    232.955  161.303 5.9637  152.122 6.3112  9.180481       8.683134 
1 1 1 -13 5   23 o 135.751 4.1949  2239.99    138.176  2130.41    194.907  2350.69    195.916  132.251 6.0739  138.943 5.8112  -6.692474      8.406075 
1 1 1 -13 5   24 o 195.615 4.9132  4654.72    233.203  4421.75    329.815  4887.63    329.783  190.377 7.1399  200.208 6.7886  -9.831726      9.852095 
1 1 1 -13 5   25 o 283.919 9.0326  9869.84    622.257  9575.28    912.656  10125.71   850.623  278.076 13.526  286.484 12.237  -8.408325      18.24015 
1 1 1 -13 5   26 o 90.322  6.1959  998.795    134.967  772.853    221.282  1132.64    170.315  78.293  12.033  96.042  7.3646  -17.74818      14.10810 
1 1 1 -13 5   27 o 131.428 6.2599  2105.70    199.628  1911.89    313.253  2238.23    259.042  124.274 10.486  135.077 7.9385  -10.80289      13.15236 
1 1 1 -13 5   28 o 253.846 6.6484  7862.91    409.496  7523.04    507.269  8498.74    693.823  247.864 8.4345  262.640 10.887  -14.77632      13.77230 
1 1 1 -13 5   29 o 179.632 4.8206  3927.69    210.113  3888.34    297.219  3967.01    297.071  178.427 6.8652  180.236 6.7929  -1.808655      9.657833 
1 1 1 -13 5   30 f 242.707 5.5917  7181.99    329.301  6890.71    467.322  7469.26    464.099  237.087 8.1235  246.955 7.7451  -9.868774      11.22402 
1 1 1 -13 5   31 o 130.934 4.2525  2086.69    135.102  2021.87    191.176  2151.35    190.949  128.660 6.1239  132.744 5.9284  -4.083939      8.523392 
1 1 1 -13 5   32 o 134.265 4.2748  2195.51    139.266  2170.00    196.604  2221.21    197.302  133.221 6.0821  134.792 6.0326  -1.571228      8.566488 
1 1 1 -13 5   33 o 169.936 4.6358  3522.10    191.150  3311.20    271.373  3729.77    269.292  164.269 6.8084  174.468 6.3613  -10.19928      9.317751 
1 1 1 -13 5   34 o 241.303 5.7127  7130.49    334.475  6896.86    475.042  7360.18    471.024  236.104 8.2921  244.096 7.9528  -7.991562      11.48936 
1 1 1 -13 5   35 o 158.675 4.5741  3075.79    176.107  3030.77    249.773  3120.29    248.338  156.938 6.5592  159.284 6.4255  -2.346191      9.182079 
1 1 1 -13 5   36 o 123.280 4.2718  1856.56    127.780  1798.34    180.480  1915.08    180.938  120.727 6.1819  124.798 5.9753  -4.071022      8.597643 
1 1 1 -13 5   37 o 49.491  4.9471  303.141    58.611   268.259    79.064   345.698    87.330   45.969  7.3350  52.390  7.0487  -6.421326      10.17281 
1 1 1 -13 5   38 o 67.605  5.4748  565.803    89.036   513.375    109.795  666.499    152.162  63.901  7.2072  72.322  8.8561  -8.420975      11.41811 
1 1 1 -13 5   39 o 90.451  5.5503  1011.71    121.224  1095.83    150.722  857.608    204.000  93.766  6.6682  81.225  10.604  12.54069       12.52627 
1 1 1 -13 5   40 o 36.308  5.8530  166.758    49.811   143.777    65.501   198.273    76.705   33.195  8.1841  39.011  8.3552  -5.816105      11.69570 
1 1 1 -13 5   41 o 96.095  4.3334  1132.11    101.041  989.267    142.675  1275.83    143.112  88.971  6.6573  101.424 5.8400  -12.45335      8.855754 
1 1 1 -13 5   42 o 111.405 4.4318  1523.21    119.796  1483.08    169.278  1563.47    169.558  109.064 6.4250  112.066 6.2606  -3.001930      8.970887 
1 1 1 -13 5   43 o 54.738  5.3577  373.441    70.247   308.020    100.085  436.961    98.619   48.553  8.8203  58.712  7.0644  -10.15912      11.30061 
1 1 1 -13 5   44 o 47.116  9.4209  294.297    103.939  208.644    195.428  328.082    122.738  40.583  14.998  49.338  10.571  -8.754620      18.34927 
1 1 1 -13 5   45 o 33.738  10.576  150.844    96.321   226.592    196.617  126.924    110.488  41.321  15.080  32.097  11.355  9.224686       18.87709 
1 1 1 -13 5   46 o 46.629  6.0074  275.723    66.387   270.210    90.321   282.201    97.910   45.211  8.5465  45.998  9.0947  -0.7874260     12.48025 
1 1 1 -13 5   47 o 9.7517  4.7886  -77.6543   39.075   -10.1891   68.236   -110.5707  47.663   18.235  8.0087  10.216  5.0667  8.018683       9.476833 
1 1 1 -13 5   48 o 38.250  9.3576  199.718    86.134   199.718    86.134   0.0000     0.0000   38.250  9.3576  ?       ?       0.000000       9.357559 
1 1 1 -13 5   49 o 29.517  9.6163  115.254    79.043   115.254    79.043   0.0000     0.0000   29.517  9.6163  ?       ?       0.000000       9.616343 
1 1 1 -13 5   50 o 33.894  8.0083  154.598    64.814   166.734    85.627   138.315    99.182   34.705  9.7599  32.039  10.783  2.665813       14.54436 
1 1 1 -13 5   51 o 48.429  6.3799  301.839    73.145   331.014    97.893   264.963    110.056  49.773  8.4050  43.335  10.563  6.438625       13.49885 
1 1 1 -13 5   52 o 43.082  8.7720  251.415    88.581   275.804    100.456  166.167    187.813  44.785  9.5368  36.356  14.376  8.428539       17.25163 
1 1 1 -13 5   53 o 63.223  7.0336  516.715    106.071  481.522    119.704  645.353    228.856  60.231  8.4210  64.521  14.917  -4.289082      17.12946 
1 1 1 -13 5   54 o 48.312  6.0897  299.275    69.801   395.793    90.147   154.771    110.303  55.278  6.8691  33.534  11.372  21.74373       13.28518 
1 1 1 -13 5   55 o 63.254  8.4430  534.958    126.348  0.0000     0.0000   534.958    126.348  ?       ?       63.254  8.4430  0.000000       8.442954 
1 1 1 -13 6   1  o 69.823  3.5602  593.417    60.116   631.021    84.267   554.443    85.787   71.910  4.8580  67.344  5.2927  4.566330       7.184189 
1 1 1 -13 6   2  o 211.176 4.9448  5417.40    253.372  5523.73    356.692  5309.11    359.973  213.107 6.8981  208.910 7.1014  4.196808       9.900241 
1 1 1 -13 6   3  o 268.806 5.7972  8781.80    378.116  8893.56    533.357  8668.87    536.126  270.280 8.1328  266.827 8.2808  3.453003       11.60666 
1 1 1 -13 6   4  f 265.278 5.7639  8552.60    371.007  8508.02    523.620  8597.54    525.753  264.353 8.1633  265.741 8.1538  -1.388184      11.53794 
1 1 1 -13 6   5  o 207.370 4.8944  5223.74    246.267  5344.90    347.699  5101.78    348.852  209.634 6.8356  204.796 7.0203  4.837326       9.798488 
1 1 1 -13 6   6  f 65.972  3.7879  530.184    60.382   533.923    84.705   526.321    86.096   66.075  5.3287  65.586  5.4598  0.4883423      7.629148 
1 1 1 -13 6   7  o 27.029  5.9908  92.313     38.258   116.671    55.173   69.755     53.096   30.366  7.5261  24.337  7.8783  6.028860       10.89539 
1 1 1 -13 6   8  o 127.439 3.8989  1972.13    120.563  1968.44    170.120  1975.84    170.886  127.263 5.5092  127.502 5.5236  -0.2383728     7.801412 
1 1 1 -13 6   9  o 116.574 3.8472  1650.21    108.821  1719.32    153.216  1579.86    154.585  118.940 5.3090  114.003 5.5884  4.936752       7.708129 
1 1 1 -13 6   10 o 331.038 6.9416  13338.05   557.573  13434.99   787.868  13240.78   789.189  331.711 9.7888  329.285 9.8774  2.425415       13.90629 
1 1 1 -13 6   11 o 58.295  3.9565  414.646    55.632   414.298    78.658   414.995    78.694   58.097  5.6514  58.147  5.6489  -0.4964066E-01 7.990516 
1 1 1 -13 6   12 o 408.707 8.3632  20376.52   829.374  19865.47   1171.98  20889.20   1173.85  402.389 12.004  412.734 11.721  -10.34494      16.77722 
1 1 1 -13 6   13 o 276.685 6.0591  9316.64    406.780  9337.81    574.206  9295.31    576.348  276.572 8.5565  275.931 8.6084  0.6404724      12.13744 
1 1 1 -13 6   14 o 191.967 4.7555  4480.13    221.505  4384.36    311.391  4578.24    315.152  189.702 6.7650  193.859 6.6999  -4.156784      9.521269 
1 1 1 -13 6   15 o 291.259 7.3847  10347.37   521.887  10323.71   644.616  10392.39   889.122  290.509 9.1449  290.398 12.618  0.1110535      15.58370 
1 1 1 -13 6   16 o 197.386 6.8540  4750.14    328.263  4570.46    437.268  4982.17    496.897  193.213 9.3271  201.298 10.207  -8.085129      13.82649 
1 1 1 -13 6   17 o 106.353 5.3781  1380.07    138.333  1430.70    179.055  1305.09    217.874  108.103 6.8619  102.915 8.8098  5.187256       11.16683 
1 1 1 -13 6   18 o 98.953  5.3725  1195.20    128.511  1228.07    164.087  1143.06    206.682  100.129 6.7941  96.236  8.9538  3.892258       11.23969 
1 1 1 -13 6   19 o 45.737  4.5058  256.798    49.354   301.968    69.266   210.215    70.341   49.451  5.8885  40.892  7.3601  8.559540       9.425795 
1 1 1 -13 6   20 o 209.572 5.1611  5343.75    262.446  5588.49    371.387  5099.62    370.922  214.035 7.1512  204.406 7.4787  9.628403       10.34746 
1 1 1 -13 6   21 o 27.517  6.3953  95.966     41.888   144.933    61.349   53.200     57.333   33.792  7.6590  22.740  8.1652  11.05223       11.19514 
1 1 1 -13 6   22 o 130.550 4.1002  2071.47    129.882  1954.53    183.089  2189.92    184.279  126.683 5.9563  134.120 5.6626  -7.436386      8.218493 
1 1 1 -13 6   23 o 85.311  4.0652  884.580    84.150   901.672    117.373  866.503    120.709  85.873  5.6649  84.140  5.9509  1.733345       8.216116 
1 1 1 -13 6   24 o 27.573  7.2276  96.161     48.944   32.767     65.058   178.828    74.292   21.592  8.4854  37.516  8.3735  -15.92406      11.92133 
1 1 1 -13 6   25 o 64.225  6.8448  508.767    105.023  632.503    178.215  442.934    129.993  70.977  10.679  59.430  9.3213  11.54752       14.17486 
1 1 1 -13 6   26 o 178.407 6.7666  3883.04    292.916  3911.02    448.971  3862.30    386.505  178.076 10.436  177.328 9.0125  0.7482147      13.78919 
1 1 1 -13 6   27 o 44.674  9.4813  254.036    99.595   375.075    172.199  193.193    122.087  53.946  13.251  39.350  11.829  14.59559       17.76294 
1 1 1 -13 6   28 o 311.314 6.7163  11831.95   507.331  11804.33   718.865  11859.36   716.091  309.959 9.5583  310.705 9.4985  -0.7460938     13.47526 
1 1 1 -13 6   29 o 138.764 4.2690  2342.61    143.735  2379.50    203.002  2305.54    203.543  139.662 5.9904  137.460 6.1026  2.201935       8.551426 
1 1 1 -13 6   30 o 75.761  4.1877  700.583    76.683   647.895    105.241  760.217    111.963  72.603  6.0285  78.703  5.9060  -6.099968      8.439446 
1 1 1 -13 6   31 o 129.651 4.2558  2046.78    133.881  2001.06    189.502  2092.34    189.171  127.948 6.1040  130.857 5.9579  -2.908989      8.529707 
1 1 1 -13 6   32 o 119.019 4.1911  1725.69    121.034  1712.47    171.217  1738.90    171.118  118.160 5.9915  119.230 5.9149  -1.069519      8.419293 
1 1 1 -13 6   33 o 195.119 5.0337  4651.05    238.314  4563.97    338.322  4736.81    335.747  192.573 7.2406  196.257 7.0505  -3.684753      10.10622 
1 1 1 -13 6   34 o 61.933  4.4120  470.556    65.868   474.494    89.484   465.899    97.311   61.897  6.0349  61.192  6.6616  0.7045097      8.988709 
1 1 1 -13 6   35 o 19.882  7.1865  40.964     44.500   72.000     57.360   -5.9529    70.524   24.654  8.1997  19.168  8.2829  5.486282       11.65510 
1 1 1 -13 6   36 o 72.649  4.3020  647.408    75.497   602.889    105.527  694.088    108.057  69.653  6.3125  74.856  5.9997  -5.202263      8.708826 
1 1 1 -13 6   37 o 84.554  5.4711  882.749    111.646  852.013    138.379  940.067    188.970  82.616  6.9681  85.944  9.2050  -3.328255      11.54497 
1 1 1 -13 6   38 o 87.483  5.5258  946.184    116.693  968.383    144.798  905.052    197.100  88.078  6.8287  83.866  9.8750  4.211929       12.00616 
1 1 1 -13 6   39 o 21.399  7.9139  46.091     54.428   18.748     64.117   116.616    102.971  19.994  8.2213  31.354  10.973  -11.35997      13.71107 
1 1 1 -13 6   40 o 66.625  4.9674  548.803    79.725   560.706    112.672  536.867    112.825  66.721  7.0673  65.209  7.2537  1.512016       10.12731 
1 1 1 -13 6   41 o 70.980  4.7773  622.042    81.798   625.766    113.662  618.041    117.810  70.603  6.7157  70.053  7.0256  0.5498352      9.719093 
1 1 1 -13 6   42 o 31.138  7.9973  126.825    60.738   158.579    83.884   91.829     88.062   34.620  9.6334  28.298  10.124  6.321554       13.97484 
1 1 1 -13 6   43 o 23.571  9.6489  32.628     87.830   -15.7680   182.248  47.268     100.238  29.377  12.987  25.728  10.391  3.648886       16.63245 
1 1 1 -13 6   44 o 45.802  9.3010  278.914    99.838   181.257    209.282  307.686    113.598  39.356  15.289  47.830  10.105  -8.473953      18.32657 
1 1 1 -13 6   45 o 47.501  5.8520  285.163    66.022   290.079    91.845   279.907    94.973   46.994  8.3611  45.950  8.8391  1.044022       12.16710 
1 1 1 -13 6   46 o 87.459  4.6007  947.835    97.289   1002.92    135.454  889.139    139.826  89.168  6.3012  83.584  6.9576  5.583725       9.386930 
1 1 1 -13 6   47 o 63.378  7.1426  516.649    107.925  516.649    107.925  0.0000     0.0000   63.378  7.1426  ?       ?       0.000000       7.142649 
1 1 1 -13 6   48 o 31.163  9.7448  130.870    81.826   130.870    81.826   0.0000     0.0000   31.163  9.7448  ?       ?       0.000000       9.744776 
1 1 1 -13 6   49 o 30.132  7.3881  121.077    53.602   117.302    79.254   124.260    72.770   29.676  9.6272  30.322  9.1363  -0.6455345     13.27232 
1 1 1 -13 6   50 f 16.341  7.3379  -21.3691   60.556   -58.3596   76.935   38.864     98.175   16.746  7.7940  24.401  10.116  -7.655197      12.77062 
1 1 1 -13 6   51 o 39.253  7.6463  204.842    70.208   109.816    90.571   347.914    111.134  29.266  10.288  50.484  9.4190  -21.21739      13.94871 
1 1 1 -13 6   52 o 33.938  9.7730  159.209    84.845   183.743    93.338   42.503     203.573  36.257  10.188  31.637  13.865  4.619343       17.20575 
1 1 1 -13 6   53 o 17.389  7.8832  -30.8229   71.845   -56.0948   77.843   114.473    186.649  16.958  7.8753  33.699  13.958  -16.74013      16.02664 
1 1 1 -13 6   54 o 44.160  6.8297  254.689    70.818   251.944    90.612   258.999    113.521  42.874  8.9970  42.447  10.950  0.4276619      14.17207 
1 1 1 -13 6   55 o 53.161  9.7021  393.396    120.536  0.0000     0.0000   393.396    120.536  ?       ?       53.161  9.7021  0.000000       9.702089 
1 1 1 -13 7   1  o 252.439 5.6846  7745.73    348.191  7565.43    490.034  7929.58    494.835  249.242 8.1029  255.183 7.9918  -5.941299      11.38095 
1 1 1 -13 7   2  o 221.336 5.2001  5952.64    279.274  6082.98    393.009  5819.69    396.927  223.583 7.2443  218.670 7.4810  4.913940       10.41371 
1 1 1 -13 7   3  o 18.205  6.1528  37.350     32.291   43.855     45.822   30.934     45.512   20.534  7.3074  18.981  7.1913  1.552465       10.25245 
1 1 1 -13 7   4  o 218.732 5.2178  5813.46    276.928  5966.31    390.421  5658.71    392.860  221.427 7.2667  215.621 7.5090  5.805450       10.44943 
1 1 1 -13 7   5  o 252.900 5.6907  7774.12    349.203  7876.59    492.470  7670.48    495.236  254.329 7.9803  250.962 8.1328  3.367493       11.39419 
1 1 1 -13 7   6  o 241.773 5.4633  7104.37    320.502  6941.46    452.177  7268.85    454.348  238.764 7.8050  244.346 7.6634  -5.581741      10.93829 
1 1 1 -13 7   7  o 174.953 4.5164  3718.14    191.726  3952.74    270.233  3480.37    272.059  180.288 6.1774  169.143 6.6290  11.14561       9.061114 
1 1 1 -13 7   8  o 94.335  3.7671  1080.65    86.227   1132.94    120.528  1025.83    123.409  96.414  5.1710  91.693  5.5733  4.720619       7.602649 
1 1 1 -13 7   9  o 203.158 4.9175  5015.70    242.406  5049.76    342.256  4981.42    343.373  203.679 6.9253  202.290 6.9957  1.389694       9.843749 
1 1 1 -13 7   10 o 148.881 4.1748  2692.62    150.814  2913.91    213.426  2471.92    213.141  154.793 5.6824  142.541 6.1626  12.25214       8.382562 
1 1 1 -13 7   11 o 279.180 6.1702  9484.71    417.971  9568.70    590.643  9400.45    591.560  279.994 8.6938  277.504 8.7855  2.490112       12.35991 
1 1 1 -13 7   12 o 283.293 6.1937  9768.79    425.746  9849.05    601.701  9688.32    602.491  283.991 8.7320  281.647 8.8162  2.344604       12.40857 
1 1 1 -13 7   13 o 351.525 7.2694  15065.27   620.039  14592.47   875.920  15540.12   877.819  345.062 10.462  356.193 10.157  -11.13123      14.58107 
1 1 1 -13 7   14 o 108.255 3.9158  1423.94    102.857  1423.49    142.839  1424.42    148.235  108.022 5.4675  108.035 5.6748  -0.1281738E-01 7.880106 
1 1 1 -13 7   15 o 183.006 6.5655  4081.68    291.541  3860.36    385.890  4375.99    445.002  177.401 8.9943  188.730 9.7509  -11.32840      13.26563 
1 1 1 -13 7   16 o 269.480 8.5339  8880.62    558.003  9050.93    762.357  8684.08    818.948  271.146 11.588  265.198 12.727  5.948822       17.21177 
1 1 1 -13 7   17 o 239.436 7.6188  7000.12    442.627  6355.17    599.419  7773.48    656.390  227.387 10.864  251.516 10.756  -24.12917      15.28772 
1 1 1 -13 7   18 o 295.155 6.4201  10616.89   459.787  10539.73   650.411  10693.97   650.062  293.404 9.1360  295.564 9.0644  -2.160034      12.86976 
1 1 1 -13 7   19 o 228.562 5.3589  6357.68    297.198  6400.54    420.424  6314.88    420.179  228.977 7.5672  227.430 7.6142  1.546310       10.73486 
1 1 1 -13 7   20 o 142.835 4.1437  2479.78    143.611  2494.06    202.993  2465.47    203.201  143.114 5.8457  142.287 5.8857  0.8263245      8.295384 
1 1 1 -13 7   21 o 15.211  6.4850  -0.8960    42.153   -2.0943    52.604   1.2541     70.465   16.905  7.2267  19.824  8.4164  -2.919090      11.09329 
1 1 1 -13 7   22 o 71.501  4.2633  623.684    73.627   675.192    100.183  563.188    108.572  74.264  5.6009  67.638  6.7037  6.625275       8.735596 
1 1 1 -13 7   23 o 209.629 6.3983  5356.02    325.448  5281.66    542.674  5397.79    406.699  207.005 10.842  210.177 7.9749  -3.171066      13.45905 
1 1 1 -13 7   24 o 108.046 6.1948  1427.24    161.729  1097.79    257.556  1641.71    207.807  93.721  11.572  115.720 7.4404  -21.99877      13.75719 
1 1 1 -13 7   25 o 98.431  5.9921  1184.86    142.431  1472.06    234.416  1016.79    179.329  109.274 8.9189  90.813  8.2278  18.46110       12.13435 
1 1 1 -13 7   26 o 169.793 6.6980  3517.71    275.949  3384.74    426.122  3613.74    362.140  165.500 10.668  171.538 8.7295  -6.037521      13.78459 
1 1 1 -13 7   27 o 202.405 5.0869  4987.91    249.827  5012.39    354.129  4963.65    352.493  202.540 7.2059  201.552 7.2077  0.9874115      10.19198 
1 1 1 -13 7   28 o 53.199  4.7278  347.197    60.392   361.339    82.343   330.734    88.840   54.036  6.4049  51.504  7.3144  2.532070       9.722257 
1 1 1 -13 7   29 o 114.088 4.1291  1583.66    114.305  1414.08    160.859  1756.62    162.456  107.439 6.1968  120.015 5.5787  -12.57581      8.338018 
1 1 1 -13 7   30 o 171.829 4.6422  3597.00    193.546  3696.04    275.217  3500.09    272.239  173.824 6.5253  169.131 6.6338  4.693802       9.305222 
1 1 1 -13 7   31 o 130.650 4.1971  2079.16    133.052  1858.23    187.814  2301.74    188.517  123.048 6.3118  137.242 5.6611  -14.19392      8.478574 
1 1 1 -13 7   32 o 119.407 4.1328  1737.60    119.740  1592.51    169.209  1883.14    169.466  113.841 6.1486  124.068 5.6294  -10.22650      8.336339 
1 1 1 -13 7   33 o 146.575 4.3664  2621.74    155.292  2571.11    220.899  2671.21    218.354  144.701 6.2916  147.544 6.0992  -2.843002      8.762662 
1 1 1 -13 7   34 o 124.276 4.1792  1885.29    126.022  1812.55    178.809  1957.07    177.639  121.444 6.0681  126.263 5.7983  -4.819061      8.392964 
1 1 1 -13 7   35 o 157.741 4.5987  3044.25    176.014  3011.21    249.636  3076.92    248.213  156.196 6.5868  157.935 6.4771  -1.739441      9.237906 
1 1 1 -13 7   36 o 60.161  4.5939  445.737    66.552   392.850    89.874   509.942    99.026   55.957  6.7561  63.929  6.4731  -7.971752      9.356589 
1 1 1 -13 7   37 o 90.078  5.5164  1002.63    119.990  980.954    149.159  1042.37    201.996  88.610  6.9944  90.361  9.3481  -1.751266      11.67508 
1 1 1 -13 7   38 o 101.140 5.6860  1265.88    138.973  1394.47    174.168  1040.52    230.561  105.719 6.8262  89.352  10.858  16.36728       12.82513 
1 1 1 -13 7   39 o 36.793  5.9355  171.404    51.185   159.958    66.812   187.666    79.638   35.030  8.0318  37.808  8.8394  -2.777664      11.94340 
1 1 1 -13 7   40 o 39.932  7.1373  204.614    66.616   257.520    93.689   150.518    94.738   44.325  9.0181  33.999  10.462  10.32557       13.81200 
1 1 1 -13 7   41 o 138.331 4.6878  2352.73    157.344  2249.34    220.681  2459.64    224.402  134.120 6.8035  140.538 6.5806  -6.417358      9.465315 
1 1 1 -13 7   42 o 30.355  9.6772  117.940    80.345   399.683    174.467  42.106     90.515   53.329  13.477  24.510  9.8826  28.81846       16.71221 
1 1 1 -13 7   43 o 19.172  8.4795  -17.7127   77.769   -272.8792  165.558  54.533     88.093   20.620  10.069  25.129  9.8744  -4.509260      14.10256 
1 1 1 -13 7   44 o 15.155  7.2456  -95.4288   75.173   200.022    165.848  -171.8257  84.334   38.903  13.896  14.075  6.9356  24.82858       15.53063 
1 1 1 -13 7   45 o 68.709  4.9463  587.669    81.911   646.760    113.345  523.075    118.506  71.404  6.6173  63.591  7.8468  7.813610       10.26452 
1 1 1 -13 7   46 o 41.076  6.1336  216.049    59.260   154.139    92.031   259.899    77.453   33.686  10.302  44.640  7.4106  -10.95441      12.69048 
1 1 1 -13 7   47 o 73.030  6.9986  684.602    122.497  684.602    122.497  0.0000     0.0000   73.030  6.9986  ?       ?       0.000000       6.998646 
1 1 1 -13 7   48 o 52.068  5.2463  341.862    65.378   360.922    96.909   325.941    88.570   52.340  7.8747  49.846  7.5602  2.493973       10.91638 
1 1 1 -13 7   49 o 26.531  8.5350  91.956     62.391   91.703     78.921   92.377     101.878  27.142  9.5974  28.362  10.756  -1.220219      14.41527 
1 1 1 -13 7   50 o 35.069  8.0155  165.651    66.716   129.434    84.291   226.391    109.161  30.914  9.9179  39.835  10.953  -8.920904      14.77615 
1 1 1 -13 7   51 o 20.470  8.7191  11.626     76.075   -46.4661   84.378   263.983    175.866  18.249  8.3752  41.798  14.356  -23.54889      16.62072 
1 1 1 -13 7   52 o 29.195  9.8108  112.147    82.096   87.340     89.695   240.223    203.802  27.301  10.147  40.466  15.245  -13.16531      18.31262 
1 1 1 -13 7   53 o 28.587  8.6102  110.030    64.639   53.110     81.729   205.107    105.629  23.955  9.4798  37.879  10.903  -13.92467      14.44825 
1 1 1 -13 7   54 o 25.917  10.264  67.103     95.877   0.0000     0.0000   67.103     95.877   ?       ?       25.917  10.264  0.000000       10.26403 
1 1 1 -13 8   1  o 274.142 6.8732  9144.57    457.196  9432.84    563.787  8590.88    781.355  278.236 8.3510  264.888 12.157  13.34818       14.74888 
1 1 1 -13 8   2  o 182.200 4.6054  4032.71    203.600  3949.51    286.041  4118.16    289.866  180.191 6.5423  184.001 6.4925  -3.810562      9.217061 
1 1 1 -13 8   3  o 184.361 4.6115  4128.98    206.291  4089.73    289.754  4169.32    293.765  183.364 6.5126  185.137 6.5395  -1.773621      9.229207 
1 1 1 -13 8   4  o 281.563 6.1113  9640.42    417.517  9848.32    588.792  9430.16    592.140  284.269 8.5363  278.133 8.7742  6.136017       12.24152 
1 1 1 -13 8   5  o 279.835 6.1631  9523.35    418.473  9558.41    590.649  9488.01    592.979  280.015 8.6933  278.971 8.7602  1.043396       12.34159 
1 1 1 -13 8   6  o 65.131  3.8290  516.919    60.245   598.583    84.005   430.442    86.445   70.009  4.9777  59.180  6.1079  10.82909       7.879372 
1 1 1 -13 8   7  o 104.431 3.7441  1324.38    94.873   1297.75    132.414  1352.46    135.998  103.190 5.3065  105.345 5.3380  -2.155006      7.526784 
1 1 1 -13 8   8  o 275.035 6.0042  9201.21    400.689  9229.36    565.817  9172.89    567.508  275.099 8.4766  274.247 8.5284  0.8516235      12.02441 
1 1 1 -13 8   9  o 191.750 4.6566  4468.20    216.653  4451.12    305.292  4485.53    307.508  191.223 6.5798  191.959 6.6021  -0.7356415     9.321013 
1 1 1 -13 8   10 o 139.045 4.1017  2348.81    138.383  2271.90    195.449  2426.12    195.956  136.648 5.8948  141.222 5.7186  -4.573502      8.212853 
1 1 1 -13 8   11 o 217.704 5.1021  5763.27    269.511  5725.71    380.882  5800.94    381.411  216.741 7.2425  218.165 7.2052  -1.424545      10.21604 
1 1 1 -13 8   12 o 32.929  5.4708  135.428    42.177   165.553    60.734   107.366    58.618   36.226  7.1633  29.209  8.0243  7.017689       10.75648 
1 1 1 -13 8   13 o 202.237 4.8408  4973.76    237.540  5132.21    335.697  4814.87    336.170  205.205 6.7421  198.728 6.9717  6.477051       9.698444 
1 1 1 -13 8   14 o 165.726 6.2665  3346.05    251.988  3437.81    335.643  3227.52    381.469  167.727 8.2473  162.000 9.7501  5.726700       12.77037 
1 1 1 -13 8   15 o 208.440 7.1518  5300.86    361.708  5310.77    484.533  5288.39    543.614  208.167 9.5929  207.164 10.852  1.003036       14.48441 
1 1 1 -13 8   16 o 250.676 7.9223  7677.27    481.866  7145.07    653.909  8309.67    712.817  240.997 11.183  259.857 11.305  -18.85982      15.90154 
1 1 1 -13 8   17 o 174.872 4.5019  3718.36    191.019  3596.42    268.007  3844.26    272.329  171.781 6.4299  177.615 6.3190  -5.834274      9.015222 
1 1 1 -13 8   18 o 51.904  4.4291  329.914    55.246   315.667    76.126   345.767    80.301   50.505  6.3526  52.888  6.3867  -2.383713      9.008138 
1 1 1 -13 8   19 o 54.673  4.2082  365.486    55.397   346.793    77.354   385.166    79.370   53.007  6.1273  55.926  5.9399  -2.918892      8.533846 
1 1 1 -13 8   20 o 171.687 4.4362  3583.86    184.804  3648.85    261.521  3519.04    261.184  173.056 6.2281  169.937 6.3342  3.118729       8.883245 
1 1 1 -13 8   21 o 94.400  4.0106  1083.07    91.865   1167.96    127.904  992.625    132.026  97.810  5.4104  90.066  6.0769  7.743980       8.136400 
1 1 1 -13 8   22 o 101.579 3.9379  1254.04    97.060   1550.11    136.440  950.703    138.102  112.876 4.9817  88.074  6.5084  24.80244       8.196137 
1 1 1 -13 8   23 o 222.063 7.8003  6025.10    420.291  5286.04    626.718  6629.13    566.583  206.478 12.569  232.388 10.048  -25.91043      16.09188 
1 1 1 -13 8   24 o 84.279  6.3710  870.825    129.321  830.742    210.652  895.068    163.827  81.467  10.933  85.194  8.0196  -3.727135      13.55854 
1 1 1 -13 8   25 o 44.981  8.8430  256.344    93.073   255.588    162.115  256.716    113.674  45.156  13.644  44.797  10.620  0.3586807      17.28943 
1 1 1 -13 8   26 o 203.762 5.0912  5054.90    251.714  4929.74    356.102  5179.89    355.853  200.849 7.3070  205.919 7.1221  -5.070068      10.20378 
1 1 1 -13 8   27 o 95.440  4.0703  1107.79    94.258   1037.16    130.148  1185.70    136.694  92.043  5.8580  98.453  5.7471  -6.410393      8.206387 
1 1 1 -13 8   28 o 98.789  4.0692  1187.23    97.539   1227.59    136.909  1145.64    138.995  100.170 5.6560  96.713  5.9520  3.456451       8.210812 
1 1 1 -13 8   29 o 39.071  6.1014  190.861    55.951   152.360    75.554   237.617    83.260   34.538  8.9445  43.287  8.2279  -8.748772      12.15334 
1 1 1 -13 8   30 o 145.337 4.3928  2573.49    154.909  2557.12    219.491  2589.75    218.661  144.560 6.2575  145.492 6.1940  -0.9318237     8.804665 
1 1 1 -13 8   31 o 124.913 4.1865  1901.49    126.889  1810.67    179.447  1992.31    179.448  121.439 6.1095  127.601 5.7959  -6.161469      8.421311 
1 1 1 -13 8   32 o 85.636  4.0683  894.094    84.534   808.249    118.242  983.839    120.899  80.961  6.0632  89.466  5.5975  -8.505547      8.251903 
1 1 1 -13 8   33 o 59.467  4.5905  434.637    65.724   407.016    88.495   468.612    98.147   57.158  6.4962  61.332  6.7044  -4.173878      9.335378 
1 1 1 -13 8   34 o 69.523  4.3243  592.899    72.586   509.329    99.398   688.385    106.249  63.957  6.4951  74.595  5.9188  -10.63715      8.787458 
1 1 1 -13 8   35 o 107.016 4.6786  1402.69    121.487  1325.29    152.721  1536.06    200.484  103.506 6.1079  110.937 7.4919  -7.430672      9.666203 
1 1 1 -13 8   36 o 118.514 5.7598  1731.22    165.632  1718.23    210.909  1752.12    267.542  117.233 7.4532  117.333 9.4783  -0.1002426     12.05770 
1 1 1 -13 8   37 o 31.734  7.8429  130.905    60.043   197.800    70.345   -48.6297   115.242  39.155  7.6787  22.283  10.054  16.87151       12.65067 
1 1 1 -13 8   38 o 31.942  7.8113  132.837    60.038   85.927     70.063   262.483    116.475  26.773  9.0630  44.255  10.915  -17.48211      14.18719 
1 1 1 -13 8   39 o 41.512  6.9892  220.276    67.898   201.485    93.587   241.159    98.658   38.944  9.8864  42.658  9.7451  -3.713749      13.88195 
1 1 1 -13 8   40 o 66.778  5.0952  552.531    81.935   504.822    112.240  606.960    119.884  63.052  7.4824  69.303  7.2360  -6.250870      10.40892 
1 1 1 -13 8   41 o 18.005  7.6206  5.7771     57.486   -6.9232    81.261   18.501     81.335   20.298  8.8310  21.935  9.1604  -1.636730      12.72399 
1 1 1 -13 8   42 o 20.780  9.0346  -5.5359    84.936   -192.7984  177.982  49.687     96.651   23.543  11.226  25.538  10.242  -1.995533      15.19611 
1 1 1 -13 8   43 o 19.047  8.5746  -32.3797   83.290   -400.5629  169.511  84.801     95.630   18.667  9.3060  27.968  10.461  -9.301029      14.00110 
1 1 1 -13 8   44 o 59.510  5.2483  442.800    75.007   442.480    103.395  443.156    108.977  58.638  7.4339  58.481  7.8805  0.1563721      10.83356 
1 1 1 -13 8   45 o 31.744  7.3220  132.994    55.247   159.833    88.396   115.791    70.771   34.271  10.006  29.581  9.0318  4.690287       13.47963 
1 1 1 -13 8   46 o 33.275  9.7718  151.035    84.085   151.035    84.085   0.0000     0.0000   33.275  9.7718  ?       ?       0.000000       9.771845 
1 1 1 -13 8   47 o 68.735  7.0422  609.050    115.791  609.050    115.791  0.0000     0.0000   68.735  7.0422  ?       ?       0.000000       7.042199 
1 1 1 -13 8   48 o 60.637  5.5254  464.862    80.403   427.195    109.856  508.316    117.993  56.764  8.2149  62.113  8.0162  -5.349018      11.47799 
1 1 1 -13 8   49 o 34.397  7.9199  159.266    64.734   95.390     84.509   249.966    100.702  27.709  9.9170  42.305  9.9730  -14.59645      14.06445 
1 1 1 -13 8   50 o 21.991  8.2972  50.598     60.428   88.724     75.489   -17.4106   100.822  26.681  9.3916  21.487  9.5709  5.193960       13.40912 
1 1 1 -13 8   51 o 18.425  8.2226  -19.0493   74.793   -15.4599   80.872   -40.2683   196.630  19.377  8.6047  28.345  12.924  -8.967909      15.52635 
1 1 1 -13 8   52 o 32.590  7.9555  143.453    62.361   176.270    79.329   90.374     100.890  35.750  9.1168  28.087  10.691  7.663338       14.05049 
1 1 1 -13 8   53 o 47.401  10.940  322.969    123.275  0.0000     0.0000   322.969    123.275  ?       ?       47.401  10.940  0.000000       10.94028 
1 1 1 -13 9   1  o 317.117 6.6261  12236.65   509.852  12272.32   718.624  12200.49   723.481  317.116 9.3394  316.169 9.4307  0.9477234      13.27262 
1 1 1 -13 9   2  o 370.014 7.7674  16677.49   697.364  16939.27   983.899  16413.24   988.561  372.180 10.895  366.294 11.123  5.885590       15.56981 
1 1 1 -13 9   3  o 310.443 6.5392  11726.05   492.570  11833.79   694.400  11616.93   698.820  311.428 9.1894  308.533 9.3347  2.894653       13.09892 
1 1 1 -13 9   4  o 169.398 4.4780  3486.21    184.058  3690.42    258.506  3276.23    262.127  174.185 6.1164  164.086 6.5838  10.09900       8.986459 
1 1 1 -13 9   5  o 42.180  4.3281  218.402    43.669   228.192    61.910   208.708    61.606   42.883  6.1239  40.929  6.4141  1.953716       8.868038 
1 1 1 -13 9   6  o 200.365 4.8344  4878.91    235.033  4765.35    331.459  4993.74    333.323  197.843 6.9047  202.541 6.7825  -4.697937      9.678678 
1 1 1 -13 9   7  o 389.181 7.9699  18465.42   752.612  18042.56   1063.32  18889.92   1065.39  383.716 11.421  392.704 11.181  -8.988342      15.98263 
1 1 1 -13 9   8  o 128.934 4.0224  2019.49    125.841  1990.81    176.674  2049.01    179.286  127.931 5.6916  129.788 5.6931  -1.856453      8.050179 
1 1 1 -13 9   9  o 353.639 7.4354  15244.72   638.010  14840.70   901.477  15650.17   903.088  348.047 10.675  357.497 10.411  -9.450775      14.91098 
1 1 1 -13 9   10 o 163.905 4.4339  3265.15    176.338  3064.29    247.993  3470.56    250.790  158.625 6.4432  168.844 6.1215  -10.21953      8.887539 
1 1 1 -13 9   11 o 120.679 3.9645  1769.55    116.087  1835.50    163.460  1702.44    164.893  122.821 5.4850  118.269 5.7460  4.552513       7.943636 
1 1 1 -13 9   12 o 65.553  3.8761  523.965    61.379   525.043    86.761   522.884    86.844   65.452  5.5144  65.315  5.5318  0.1372757      7.810871 
1 1 1 -13 9   13 o 311.783 9.6180  11911.82   727.617  12425.44   1004.68  11345.25   1055.19  317.108 13.057  302.427 14.380  14.68112       19.42336 
1 1 1 -13 9   14 o 198.005 6.7945  4781.07    326.434  4540.75    439.209  5077.65    487.918  192.511 9.4027  203.470 9.8828  -10.95894      13.64114 
1 1 1 -13 9   15 o 220.812 7.2409  5950.45    387.950  5592.08    525.911  6378.25    574.605  213.451 10.154  227.900 10.391  -14.44879      14.52877 
1 1 1 -13 9   16 o 116.167 4.4570  1640.83    125.629  1739.33    201.255  1577.94    160.807  119.209 6.9884  113.679 5.8497  5.529976       9.113546 
1 1 1 -13 9   17 o 157.898 4.4008  3031.24    168.606  2951.34    236.194  3114.26    240.761  155.632 6.2547  159.876 6.2064  -4.243439      8.811361 
1 1 1 -13 9   18 o 272.013 5.9963  9012.40    395.764  8906.83    558.472  9118.91    560.926  269.867 8.5288  273.077 8.4656  -3.210114      12.01691 
1 1 1 -13 9   19 o 132.456 4.0906  2132.47    131.469  2094.18    183.448  2172.91    188.506  131.141 5.7651  133.579 5.8160  -2.437744      8.189157 
1 1 1 -13 9   20 o 130.852 4.2114  2081.43    133.712  2025.45    187.628  2139.20    190.601  128.949 5.9968  132.527 5.9273  -3.577621      8.431748 
1 1 1 -13 9   21 o 193.873 4.8470  4572.30    228.009  4504.93    322.649  4639.51    322.259  192.172 6.9195  195.038 6.8096  -2.866028      9.708276 
1 1 1 -13 9   22 o 154.336 6.4749  2904.05    242.474  2575.76    372.812  3144.73    319.214  144.356 10.720  160.154 8.2424  -15.79878      13.52258 
1 1 1 -13 9   23 o 338.215 10.416  14060.94   854.777  13479.55   1242.75  14582.93   1177.56  328.505 15.591  342.544 14.168  -14.03888      21.06680 
1 1 1 -13 9   24 o 170.612 6.6893  3551.61    276.919  3413.14    425.964  3652.98    364.440  166.215 10.617  172.470 8.7371  -6.254791      13.75002 
1 1 1 -13 9   25 o 202.481 5.6748  4995.71    278.801  5057.07    347.618  4885.05    466.786  203.482 7.0406  199.406 9.6475  4.075150       11.94340 
1 1 1 -13 9   26 o 139.226 4.2329  2357.85    142.996  2403.09    201.850  2312.27    202.605  140.378 5.9261  137.683 6.0647  2.694931       8.479283 
1 1 1 -13 9   27 o 96.727  4.0937  1138.19    96.080   1081.62    134.557  1197.03    137.238  93.969  5.9319  98.902  5.7436  -4.932678      8.256869 
1 1 1 -13 9   28 o 79.865  4.2496  778.584    82.054   840.550    113.538  710.836    118.717  82.798  5.6859  75.978  6.5023  6.820610       8.637674 
1 1 1 -13 9   29 o 189.961 4.8914  4400.34    225.455  4304.15    318.814  4496.56    318.870  187.369 7.0125  191.554 6.8605  -4.185028      9.810312 
1 1 1 -13 9   30 o 99.585  4.1367  1208.30    99.957   1179.73    140.047  1237.96    142.712  98.009  5.9168  100.415 5.8830  -2.405418      8.343708 
1 1 1 -13 9   31 o 10.346  4.9695  -53.1708   36.276   -45.3904   45.818   -66.2412   59.386   12.712  5.9491  14.099  6.6522  -1.386090      8.924331 
1 1 1 -13 9   32 o 82.475  4.1955  832.189    83.683   854.428    115.188  807.333    121.777  83.274  5.7357  80.816  6.2590  2.458076       8.489631 
1 1 1 -13 9   33 o 122.312 4.1789  1827.07    124.022  1830.45    175.629  1823.72    175.159  122.017 5.9322  121.793 5.9272  0.2233200      8.385813 
1 1 1 -13 9   34 o 40.695  5.6972  207.484    54.713   200.440    74.935   215.528    80.073   39.419  8.1054  40.847  8.3607  -1.427921      11.64463 
1 1 1 -13 9   35 o 53.746  6.2473  361.435    79.951   393.863    97.403   294.465    139.975  55.819  7.3721  46.783  12.203  9.035763       14.25728 
1 1 1 -13 9   36 o 73.136  7.1168  671.594    124.693  671.594    124.693  0.0000     0.0000   73.136  7.1168  ?       ?       0.000000       7.116776 
1 1 1 -13 9   37 o 46.128  6.8485  270.038    74.325   223.622    87.931   386.178    139.092  41.283  9.0296  53.816  11.023  -12.53271      14.24904 
1 1 1 -13 9   38 o 75.299  4.7637  699.491    86.587   681.602    120.111  718.846    124.937  73.699  6.7932  75.670  6.8798  -1.970650      9.668483 
1 1 1 -13 9   39 o 64.195  5.0570  510.624    78.131   584.709    108.332  430.315    112.791  68.233  6.6269  57.871  8.2675  10.36222       10.59563 
1 1 1 -13 9   40 o 121.303 4.5688  1808.97    134.472  1644.08    187.302  1984.38    193.180  114.563 6.7681  126.299 6.3038  -11.73557      9.249013 
1 1 1 -13 9   41 o 30.343  10.345  114.151    91.291   37.572     176.709  142.029    106.621  31.084  13.266  33.329  11.181  -2.244415      17.34889 
1 1 1 -13 9   42 o 80.457  6.9023  818.861    133.443  842.001    249.415  809.581    157.952  77.204  13.822  79.268  8.3372  -2.063454      16.14161 
1 1 1 -13 9   43 o 12.772  6.1133  -71.2461   53.850   -115.6877  71.269   -12.1140   82.209   13.865  6.7333  19.963  8.7786  -6.098180      11.06353 
1 1 1 -13 9   44 o 60.130  5.1297  452.124    74.126   427.578    110.320  472.326    100.085  57.184  8.1844  60.752  6.9126  -3.568615      10.71300 
1 1 1 -13 9   45 o 59.985  7.5487  466.938    107.436  466.938    107.436  0.0000     0.0000   59.985  7.5487  ?       ?       0.000000       7.548697 
1 1 1 -13 9   46 o 49.479  8.7360  328.352    101.047  328.352    101.047  0.0000     0.0000   49.479  8.7360  ?       ?       0.000000       8.735986 
1 1 1 -13 9   47 o 44.931  5.7028  257.452    60.772   283.987    91.219   236.275    81.491   45.974  8.4901  41.929  8.3037  4.045067       11.87579 
1 1 1 -13 9   48 f 24.970  8.4802  78.606     61.343   46.911     79.707   124.654    96.073   23.335  9.3213  30.687  10.607  -7.352085      14.12062 
1 1 1 -13 9   49 o 66.973  5.1665  564.029    83.309   471.649    112.777  674.986    123.598  59.777  7.9743  72.188  7.1505  -12.41118      10.71070 
1 1 1 -13 9   50 o 35.873  9.6307  178.753    85.590   168.200    98.665   210.845    172.056  34.655  10.678  38.375  14.091  -3.719791      17.68016 
1 1 1 -13 9   51 f 41.170  8.9360  231.789    86.704   255.982    94.260   98.794     221.005  43.143  9.2799  34.358  14.753  8.784687       17.42931 
1 1 1 -13 9   52 o 35.074  11.678  175.046    116.333  0.0000     0.0000   175.046    116.333  ?       ?       35.074  11.678  0.000000       11.67788 
1 1 1 -13 9   53 o 24.820  10.495  36.304     108.855  0.0000     0.0000   36.304     108.855  ?       ?       24.820  10.495  0.000000       10.49462 
1 1 1 -13 10  1  o 123.423 3.8755  1850.17    116.063  1979.03    162.937  1717.43    165.364  127.589 5.2631  118.835 5.7350  8.754219       7.784026 
1 1 1 -13 10  2  o 130.109 3.9469  2056.14    124.601  2162.00    174.924  1947.10    177.531  133.349 5.4063  126.528 5.7826  6.820358       7.916182 
1 1 1 -13 10  3  o 326.266 6.9772  12961.80   552.352  12869.00   778.954  13055.65   783.353  324.499 9.8932  326.848 9.8775  -2.348480      13.97998 
1 1 1 -13 10  4  o 47.904  4.4526  281.228    51.162   230.105    65.744   359.727    81.466   43.002  6.5041  54.003  6.3377  -11.00050      9.081285 
1 1 1 -13 10  5  o 280.771 6.1093  9592.32    416.208  9518.54    586.813  9667.00    590.417  279.274 8.6597  281.446 8.6457  -2.172241      12.23679 
1 1 1 -13 10  6  o 127.130 3.9422  1963.30    121.605  1933.73    171.053  1993.51    172.912  126.088 5.5911  128.023 5.5664  -1.935318      7.889526 
1 1 1 -13 10  7  f 292.699 6.3397  10429.82   450.248  10361.27   635.567  10498.89   637.932  291.227 8.9943  293.160 8.9682  -1.933502      12.70140 
1 1 1 -13 10  8  o 392.009 8.1894  18756.93   778.956  18651.59   1100.57  18862.67   1102.66  389.707 11.639  391.924 11.595  -2.216858      16.42900 
1 1 1 -13 10  9  o 309.036 6.6426  11635.45   498.092  11571.30   703.621  11699.88   705.200  307.526 9.4296  309.239 9.3984  -1.712555      13.31341 
1 1 1 -13 10  10 o 214.445 5.0687  5593.60    263.742  5658.25    372.211  5528.42    373.770  215.409 7.1213  212.906 7.2352  2.503235       10.15195 
1 1 1 -13 10  11 o 138.199 4.1274  2321.30    138.403  2296.00    194.628  2347.19    196.855  137.320 5.8413  138.842 5.8434  -1.521988      8.262287 
1 1 1 -13 10  12 o 169.489 6.3779  3500.84    262.290  3579.81    349.294  3398.74    397.167  171.107 8.4132  166.191 9.8940  4.915375       12.98740 
1 1 1 -13 10  13 f 260.390 8.3160  8290.60    525.418  8435.52    718.788  8124.31    769.955  261.788 11.316  256.556 12.369  5.232666       16.76396 
1 1 1 -13 10  14 f 21.711  7.7308  49.315     51.293   77.779     61.777   -13.8599   92.036   25.811  8.5059  21.714  9.4224  4.097830       12.69382 
1 1 1 -13 10  15 o 109.037 3.8257  1444.77    101.216  1494.17    143.032  1395.22    143.250  110.800 5.3202  106.912 5.5411  3.887932       7.681703 
1 1 1 -13 10  16 f 226.934 5.3211  6267.74    292.998  6453.97    414.469  6081.69    414.254  229.935 7.4289  223.163 7.6503  6.771622       10.66378 
1 1 1 -13 10  17 o 164.266 4.4348  3280.84    176.760  3232.39    247.509  3331.27    252.518  162.870 6.2631  165.339 6.2944  -2.468735      8.879481 
1 1 1 -13 10  18 o 113.576 4.0069  1567.80    110.424  1700.33    153.507  1425.69    158.961  118.196 5.3526  108.009 6.0903  10.18620       8.108154 
1 1 1 -13 10  19 o 145.929 4.4317  2589.31    156.918  2491.16    219.636  2691.64    224.266  142.971 6.3313  148.624 6.2189  -5.653442      8.874663 
1 1 1 -13 10  20 o 179.051 4.7361  3899.51    205.758  3761.43    289.414  4040.64    292.582  175.612 6.7921  182.037 6.6241  -6.424881      9.487389 
1 1 1 -13 10  21 o 83.175  6.3608  848.186    127.398  866.365    225.824  839.699    154.296  83.105  11.508  82.538  7.7967  0.5666199      13.90033 
1 1 1 -13 10  22 o 119.652 6.1472  1749.47    177.865  1826.10    294.782  1705.60    223.040  121.528 10.088  117.871 7.8433  3.657181       12.77833 
1 1 1 -13 10  23 o 79.821  6.8194  783.157    130.810  985.245    237.717  695.388    156.661  88.715  11.300  74.840  8.7947  13.87457       14.31900 
1 1 1 -13 10  24 o 334.823 10.105  13789.65   820.912  14490.57   1199.16  13171.46   1126.17  340.761 14.503  325.019 14.280  15.74213       20.35340 
1 1 1 -13 10  25 o 180.428 4.7060  3962.34    206.026  3956.87    292.107  3967.76    290.628  180.006 6.6879  180.262 6.6446  -0.2551422     9.427564 
1 1 1 -13 10  26 o 264.035 5.9709  8506.52    382.530  8404.38    541.545  8608.23    540.415  261.666 8.5295  264.864 8.4089  -3.197571      11.97757 
1 1 1 -13 10  27 o 175.616 4.7157  3756.77    200.943  3681.45    283.307  3833.02    285.052  173.484 6.7303  177.039 6.6358  -3.555466      9.451460 
1 1 1 -13 10  28 o 111.439 4.1534  1512.10    112.305  1496.73    157.825  1527.87    159.842  110.512 5.9071  111.657 5.9210  -1.144135      8.363757 
1 1 1 -13 10  29 o 160.370 4.6088  3136.39    179.340  3029.17    253.079  3244.53    254.175  157.169 6.6363  162.712 6.4380  -5.542252      9.245945 
1 1 1 -13 10  30 o 32.286  6.6506  132.636    50.366   151.932    65.112   103.891    79.472   34.411  7.9572  29.404  9.6455  5.006285       12.50405 
1 1 1 -13 10  31 o 139.709 4.3872  2382.94    148.722  2367.14    210.093  2398.81    210.557  138.802 6.2381  139.735 6.2101  -0.9334412     8.802247 
1 1 1 -13 10  32 o 134.880 4.3709  2222.90    143.049  2217.31    201.291  2228.60    203.327  134.235 6.1801  134.561 6.2275  -0.3266602     8.773532 
1 1 1 -13 10  33 o 85.010  4.1897  883.228    86.419   862.390    120.234  905.498    124.298  83.481  5.9753  85.538  6.0274  -2.056480      8.487242 
1 1 1 -13 10  34 o 11.925  5.5768  -38.8648   40.142   -82.0665   50.596   34.526     65.945   11.832  5.7284  21.576  8.5227  -9.744495      10.26887 
1 1 1 -13 10  35 o 57.247  6.0583  409.294    82.875   411.444    98.395   404.044    153.742  57.048  7.2739  54.844  11.895  2.203228       13.94308 
1 1 1 -13 10  36 o 46.023  6.6100  268.042    71.696   325.808    85.210   128.003    132.671  50.670  7.1277  33.666  12.372  17.00359       14.27835 
1 1 1 -13 10  37 o 89.376  4.2129  978.994    91.363   944.009    127.869  1015.48    130.587  87.090  6.0894  90.378  5.9889  -3.287849      8.540920 
1 1 1 -13 10  38 o 53.611  5.7646  359.456    73.809   362.754    99.488   355.419    110.076  53.166  7.9568  52.231  9.0111  0.9344139      12.02124 
1 1 1 -13 10  39 o 56.132  5.6123  393.520    75.415   428.850    103.225  353.075    110.446  57.996  7.5118  51.956  9.0922  6.040657       11.79384 
1 1 1 -13 10  40 o 19.228  8.4712  -15.1497   76.882   -145.8075  174.314  16.405     85.664   24.485  11.505  22.241  9.3519  2.243734       14.82612 
1 1 1 -13 10  41 o 134.648 6.8829  2282.22    224.119  1996.59    379.077  2435.71    277.889  120.288 13.205  137.958 8.3408  -17.67023      15.61878 
1 1 1 -13 10  42 o 38.212  10.219  198.960    96.586   347.450    190.068  147.266    112.145  48.562  14.796  33.665  11.466  14.89689       18.71831 
1 1 1 -13 10  43 o 56.340  5.7080  399.978    76.954   401.879    107.999  398.017    109.678  55.382  8.2920  55.016  8.4893  0.3660851      11.86700 
1 1 1 -13 10  44 o 65.234  7.5608  550.934    117.457  550.934    117.457  0.0000     0.0000   65.234  7.5608  ?       ?       0.000000       7.560778 
1 1 1 -13 10  45 o 18.415  8.2442  -22.5688   75.826   -22.5688   75.826   0.0000     0.0000   18.415  8.2442  ?       ?       0.000000       8.244202 
1 1 1 -13 10  46 o 36.850  6.8460  178.145    58.960   284.607    91.358   102.151    77.186   46.026  8.4933  28.080  9.5125  17.94604       12.75241 
1 1 1 -13 10  47 o 47.364  6.6920  291.026    74.766   350.561    102.722  223.953    109.031  51.074  8.5941  39.554  10.974  11.51963       13.93907 
1 1 1 -13 10  48 o 31.578  8.5157  135.829    66.741   148.613    86.237   116.737    105.391  32.763  9.9625  30.308  11.044  2.455166       14.87329 
1 1 1 -13 10  49 o 45.428  8.7729  279.784    93.200   278.265    107.845  284.264    185.233  44.538  10.199  42.863  14.733  1.675022       17.91879 
1 1 1 -13 10  50 o 18.266  8.0052  -6.4205    67.857   35.994     75.386   -187.5334  155.777  22.093  8.9796  21.091  10.171  1.001745       13.56801 
1 1 1 -13 10  51 o 31.679  7.8263  135.628    59.807   156.709    73.705   94.988     102.335  33.730  8.8828  28.430  10.780  5.300148       13.96857 
1 1 1 -13 10  52 o 18.689  8.7961  -85.0671   102.647  0.0000     0.0000   -85.0671   102.647  ?       ?       18.689  8.7961  0.000000       8.796053 
1 1 1 -13 11  1  o 35.129  4.6822  152.629    38.916   201.130    54.928   103.744    55.144   40.252  5.7906  28.694  7.7416  11.55774       9.667634 
1 1 1 -13 11  2  o 182.386 4.6206  4042.82    204.483  4055.30    287.375  4030.02    291.025  182.511 6.4893  181.931 6.5926  0.5798035      9.250583 
1 1 1 -13 11  3  o 158.403 4.2802  3048.80    164.511  3055.40    230.989  3042.00    234.355  158.456 6.0078  158.100 6.1091  0.3560333      8.568282 
1 1 1 -13 11  4  o 212.650 5.0497  5498.14    260.553  5652.08    366.624  5341.04    370.358  215.388 7.0151  209.342 7.2912  6.045654       10.11802 
1 1 1 -13 11  5  o 180.322 4.5978  3952.25    201.170  3997.12    282.848  3906.33    286.177  181.180 6.4340  179.095 6.5855  2.085175       9.206744 
1 1 1 -13 11  6  o 257.768 5.8123  8086.16    363.528  8232.45    512.484  7938.00    515.745  259.704 8.1328  254.978 8.3362  4.725800       11.64620 
1 1 1 -13 11  7  o 87.786  3.7305  936.183    79.461   993.935    111.887  877.413    112.868  90.254  5.1303  84.740  5.5195  5.514221       7.535578 
1 1 1 -13 11  8  o 250.098 5.6789  7613.09    344.621  7482.78    486.211  7744.65    488.531  247.535 8.0951  251.850 7.9944  -4.314514      11.37725 
1 1 1 -13 11  9  o 40.669  4.8431  203.989    46.851   184.089    64.732   225.883    67.898   38.226  7.2442  42.522  6.8106  -4.296310      9.943039 
1 1 1 -13 11  10 o 165.483 6.2814  3336.74    252.219  3334.20    333.847  3340.12    384.976  164.937 8.3693  164.806 9.6694  0.1311951      12.78842 
1 1 1 -13 11  11 o 142.151 5.8864  2461.13    203.030  2267.81    263.802  2742.02    317.985  135.992 8.0303  149.428 8.8092  -13.43581      11.92002 
1 1 1 -13 11  12 o 140.880 5.9567  2417.73    203.619  2484.52    263.747  2319.20    320.359  142.421 7.6604  137.189 9.6862  5.231339       12.34922 
1 1 1 -13 11  13 o 61.108  5.8459  458.934    85.621   454.145    105.245  468.307    147.239  60.565  7.3094  60.943  10.326  -0.3781357     12.65106 
1 1 1 -13 11  14 o 240.091 5.5059  7017.61    320.751  6929.70    453.630  7105.51    453.591  238.158 7.8501  241.181 7.7510  -3.023315      11.03182 
1 1 1 -13 11  15 o 70.852  3.8946  611.920    66.697   618.478    94.473   605.403    94.176   71.064  5.5222  70.299  5.5666  0.7649231      7.841055 
1 1 1 -13 11  16 o 157.568 4.3416  3018.56    165.991  3138.51    234.705  2898.52    234.789  160.510 6.0264  154.224 6.2742  6.285461       8.699613 
1 1 1 -13 11  17 f 277.078 6.0939  9353.44    409.694  9517.39    579.443  9189.55    579.346  278.925 8.5617  274.038 8.7129  4.886597       12.21545 
1 1 1 -13 11  18 o 277.294 6.0664  9368.12    408.168  8957.77    576.495  9780.58    577.982  270.529 8.7825  282.780 8.4237  -12.25125      12.16923 
1 1 1 -13 11  19 o 246.300 5.6649  7387.38    338.545  7457.23    478.001  7317.08    479.553  247.008 7.9754  244.652 8.0784  2.355469       11.35199 
1 1 1 -13 11  20 o 139.307 6.3647  2365.84    215.138  2036.08    342.374  2580.99    276.557  128.140 11.122  145.107 7.8843  -16.96689      13.63308 
1 1 1 -13 11  21 o 142.486 6.2705  2475.06    216.788  2845.56    352.037  2248.73    275.148  151.994 9.5947  135.297 8.4231  16.69707       12.76744 
1 1 1 -13 11  22 o 60.515  7.4162  453.998    106.617  551.746    201.016  415.737    125.764  65.617  13.085  57.504  9.3335  8.112816       16.07229 
1 1 1 -13 11  23 o 178.361 6.9161  3884.77    299.311  3683.20    465.056  4027.31    391.072  172.428 11.176  181.219 8.8939  -8.790115      14.28280 
1 1 1 -13 11  24 o 155.065 4.4862  2925.80    168.794  2836.93    240.326  3012.32    237.126  152.445 6.4972  157.127 6.2196  -4.682373      8.994289 
1 1 1 -13 11  25 o 309.056 6.8345  11675.44   512.520  11502.13   725.990  11847.63   723.640  305.552 9.7922  310.193 9.6145  -4.640137      13.72321 
1 1 1 -13 11  26 o 133.657 4.3635  2174.75    141.510  2103.86    200.749  2244.77    199.508  131.216 6.3053  135.575 6.0648  -4.359406      8.748616 
1 1 1 -13 11  27 o 105.610 4.1885  1358.10    107.332  1417.38    151.619  1298.56    151.962  107.552 5.8317  102.880 6.1150  4.671768       8.449984 
1 1 1 -13 11  28 o 175.524 4.8080  3758.59    204.768  3718.28    290.745  3798.27    288.439  174.073 6.8836  175.972 6.7553  -1.899399      9.644601 
1 1 1 -13 11  29 o 42.527  5.4792  224.816    55.224   172.262    75.546   285.125    80.927   36.586  8.6469  47.616  7.2320  -11.02976      11.27252 
1 1 1 -13 11  30 o 100.633 4.2078  1235.64    102.746  1224.32    144.994  1247.05    145.618  99.700  6.0219  100.632 5.9908  -0.9321136     8.494296 
1 1 1 -13 11  31 o 19.008  7.1901  32.578     45.452   15.667     60.489   54.509     68.882   19.374  7.9780  23.763  8.8801  -4.388659      11.93751 
1 1 1 -13 11  32 o 114.667 4.2823  1607.38    119.145  1634.83    169.086  1580.30    167.915  115.047 6.0787  113.086 6.1425  1.961311       8.641843 
1 1 1 -13 11  33 o 16.519  6.8208  10.569     44.368   14.544     56.108   3.9360     72.483   18.623  7.6780  20.023  8.5194  -1.400045      11.46869 
1 1 1 -13 11  34 o 96.559  5.6012  1152.85    130.669  1111.52    162.554  1228.32    219.671  94.246  7.1620  98.084  9.3431  -3.838005      11.77229 
1 1 1 -13 11  35 o 39.553  7.5612  201.693    69.921   190.984    82.008   230.200    133.805  38.118  9.0092  41.409  12.369  -3.290615      15.30232 
1 1 1 -13 11  36 o 59.570  4.6883  438.541    67.217   442.191    92.020   434.366    98.421   59.328  6.4986  58.616  7.0623  0.7124367      9.597247 
1 1 1 -13 11  37 o 48.696  6.2656  298.920    72.316   289.528    99.821   309.293    104.908  47.004  9.0810  48.563  9.2407  -1.558468      12.95589 
1 1 1 -13 11  38 f 87.394  4.7969  942.785    101.331  822.332    139.274  1078.26    147.705  80.735  7.1847  92.789  6.6036  -12.05407      9.758453 
1 1 1 -13 11  39 o 88.435  4.7787  966.144    102.160  926.699    144.156  1005.94    144.798  85.736  6.9905  89.473  6.7188  -3.736916      9.695810 
1 1 1 -13 11  40 o 93.455  6.8213  1100.97    153.613  1255.74    297.598  1044.75    179.353  95.243  13.235  90.230  8.2846  5.012634       15.61439 
1 1 1 -13 11  41 o 35.867  10.683  174.352    99.924   292.308    225.807  145.629    111.428  45.179  16.206  33.533  11.429  11.64580       19.83096 
1 1 1 -13 11  42 o 75.666  5.0756  713.373    92.647   655.851    129.704  773.294    132.382  71.382  7.6058  77.850  7.0857  -6.468040      10.39497 
1 1 1 -13 11  43 o 91.282  6.9719  1063.46    153.251  1063.46    153.251  0.0000     0.0000   91.282  6.9719  ?       ?       0.000000       6.971865 
1 1 1 -13 11  44 o 87.326  7.0064  977.829    147.207  977.829    147.207  0.0000     0.0000   87.326  7.0064  ?       ?       0.000000       7.006366 
1 1 1 -13 11  45 o 113.400 4.6886  1598.68    129.009  1755.36    182.925  1443.63    181.973  117.424 6.4449  105.908 7.1227  11.51656       9.605697 
1 1 1 -13 11  46 o 114.075 4.8304  1622.02    133.701  1506.11    186.496  1744.58    191.778  108.023 7.1558  116.617 6.8071  -8.594032      9.876317 
1 1 1 -13 11  47 o 18.686  7.9411  9.3490     62.842   21.000     80.244   -9.1290    101.056  21.490  9.0444  21.874  9.6705  -0.3837280     13.24087 
1 1 1 -13 11  48 o 31.184  8.7257  132.757    68.621   95.290     90.332   183.880    105.517  27.921  10.217  35.960  11.037  -8.039145      15.03948 
1 1 1 -13 11  49 o 22.441  9.1842  35.422     79.546   99.083     89.015   -216.9550  177.236  28.191  10.168  22.204  10.743  5.986748       14.79193 
1 1 1 -13 11  50 o 18.892  7.9252  14.832     61.289   0.0568     66.233   102.879    161.683  18.450  7.9998  31.816  13.066  -13.36563      15.32011 
1 1 1 -13 11  51 o 31.521  11.219  134.058    108.003  0.0000     0.0000   134.058    108.003  ?       ?       31.521  11.219  0.000000       11.21860 
1 1 1 -13 12  1  o 22.059  6.0808  61.035     33.595   56.801     47.298   65.346     47.727   22.267  7.4469  23.402  7.4583  -1.135420      10.53955 
1 1 1 -13 12  2  o 131.347 3.9884  2096.08    127.112  2080.90    178.098  2111.85    181.477  130.777 5.6126  131.741 5.6772  -0.9643097     7.983241 
1 1 1 -13 12  3  o 116.806 3.8683  1657.57    109.634  1732.61    154.230  1580.92    155.874  119.346 5.3260  113.984 5.6359  5.362267       7.754338 
1 1 1 -13 12  4  o 39.499  4.5399  192.145    42.720   194.665    60.284   189.604    60.548   39.460  6.5241  38.911  6.6519  0.5491371      9.317322 
1 1 1 -13 12  5  o 102.730 3.7752  1282.15    94.102   1298.76    131.974  1264.97    134.215  103.189 5.2888  101.817 5.4525  1.371857       7.596116 
1 1 1 -13 12  6  o 302.858 6.5331  11176.43   480.090  11164.56   676.985  11188.44   680.932  302.042 9.2374  302.352 9.2817  -0.3101501     13.09497 
1 1 1 -13 12  7  o 204.549 4.9056  5089.03    243.472  5125.28    342.870  5052.16    345.791  205.021 6.8923  203.537 7.0017  1.484070       9.824884 
1 1 1 -13 12  8  o 50.409  4.5019  311.420    54.485   328.685    86.133   299.902    70.349   51.432  7.0904  49.260  6.0103  2.172348       9.295019 
1 1 1 -13 12  9  o 79.947  5.3612  781.416    103.396  910.349    130.435  563.399    169.612  86.205  6.2790  66.886  10.821  19.31929       12.51042 
1 1 1 -13 12  10 f 166.416 6.1802  3374.78    249.551  2959.96    330.018  3928.73    381.361  155.259 8.7964  179.154 8.7730  -23.89439      12.42344 
1 1 1 -13 12  11 o 249.136 8.0295  7587.24    485.389  7544.47    661.621  7637.09    714.289  247.615 11.012  248.861 11.829  -1.246536      16.16149 
1 1 1 -13 12  12 o 283.639 8.7444  9847.44    601.811  9405.22    825.386  10349.38   879.354  275.996 12.325  289.437 12.521  -13.44116      17.56954 
1 1 1 -13 12  13 o 308.517 6.6644  11606.89   498.893  11609.53   705.083  11604.26   706.000  307.762 9.4419  307.687 9.4565  0.7470703E-01  13.36322 
1 1 1 -13 12  14 o 116.408 3.9638  1646.96    111.958  1729.59    158.275  1564.22    158.390  119.195 5.4725  113.184 5.7867  6.010765       7.964585 
1 1 1 -13 12  15 o 161.280 4.4873  3163.02    175.601  3434.19    248.349  2891.90    248.325  167.887 6.0965  154.001 6.6456  13.88629       9.018356 
1 1 1 -13 12  16 o 253.509 5.7503  7826.67    353.709  8066.90    500.367  7586.71    500.073  256.907 8.0269  249.086 8.2741  7.821091       11.52787 
1 1 1 -13 12  17 o 101.246 3.9939  1245.95    98.116   1292.39    137.883  1198.31    139.649  102.880 5.5440  99.017  5.8384  3.862534       8.051229 
1 1 1 -13 12  18 o 85.677  4.0560  892.304    84.319   1049.42    118.723  732.401    119.774  92.700  5.3003  77.242  6.4497  15.45875       8.348097 
1 1 1 -13 12  19 o 101.214 6.0781  1252.86    148.579  1074.84    236.879  1368.32    190.772  92.891  10.706  105.580 7.4955  -12.68873      13.06872 
1 1 1 -13 12  20 o 92.268  6.3570  1042.94    141.453  913.273    241.008  1111.08    174.710  85.210  11.988  95.051  7.6398  -9.841103      14.21566 
1 1 1 -13 12  21 o 94.353  6.2434  1090.24    142.127  1143.95    248.011  1063.97    173.429  95.782  10.864  92.967  7.7592  2.815521       13.35002 
1 1 1 -13 12  22 o 156.740 6.6266  2998.65    252.020  2775.97    397.636  3148.15    325.817  149.626 11.030  160.089 8.4173  -10.46382      13.87516 
1 1 1 -13 12  23 o 194.635 4.9573  4612.70    234.116  4622.25    330.414  4603.07    331.771  194.485 7.0018  194.072 7.0455  0.4127808      9.932981 
1 1 1 -13 12  24 o 102.410 4.2338  1276.09    105.206  1361.73    148.820  1190.54    148.748  105.495 5.8366  98.555  6.2526  6.939896       8.553439 
1 1 1 -13 12  25 o 226.476 5.5288  6257.12    303.820  6209.92    431.497  6303.54    427.858  224.975 7.9046  226.705 7.7781  -1.729843      11.08972 
1 1 1 -13 12  26 o 78.588  4.2813  754.342    81.331   802.146    114.779  706.133    115.263  80.812  5.8942  75.719  6.3317  5.092636       8.650593 
1 1 1 -13 12  27 o 53.315  4.9120  349.743    62.830   344.744    85.902   355.494    92.135   52.573  6.9008  53.313  7.3153  -0.7400322     10.05655 
1 1 1 -13 12  28 o 52.591  5.0249  340.914    63.340   217.563    85.726   489.221    93.998   41.147  8.8492  62.862  6.2453  -21.71517      10.83106 
1 1 1 -13 12  29 o 179.174 4.8497  3924.14    210.841  3892.99    300.019  3954.52    296.362  177.761 6.9558  179.215 6.8153  -1.453918      9.738133 
1 1 1 -13 12  30 o 55.836  4.8654  384.326    65.259   389.331    88.655   378.406    96.411   55.817  6.6786  54.827  7.4393  0.9906921      9.997335 
1 1 1 -13 12  31 o 140.508 4.4292  2414.62    151.006  2266.41    213.904  2561.88    213.208  135.497 6.5062  144.211 6.0931  -8.714478      8.913829 
1 1 1 -13 12  32 o 114.709 4.3060  1610.01    119.849  1579.74    169.339  1640.38    169.645  112.950 6.2026  115.144 6.0937  -2.194107      8.695137 
1 1 1 -13 12  33 o 131.235 6.0048  2127.66    191.211  2139.98    244.014  2108.05    307.782  130.639 7.7324  128.299 9.9650  2.339310       12.61312 
1 1 1 -13 12  34 o 55.572  6.0814  386.478    80.663   369.080    96.519   426.773    146.887  53.835  7.6004  56.618  11.089  -2.783482      13.44352 
1 1 1 -13 12  35 o 71.032  5.8695  628.297    100.257  591.023    120.953  710.132    179.221  68.359  7.4109  73.703  10.303  -5.344261      12.69177 
1 1 1 -13 12  36 f 16.295  7.2169  -16.1385   56.522   -64.1520   80.058   31.579     79.811   17.209  7.9900  22.740  9.2405  -5.530676      12.21582 
1 1 1 -13 12  37 o 65.708  5.3323  536.534    84.283   462.313    119.185  610.777    119.203  59.893  8.4350  69.499  7.1718  -9.606697      11.07178 
1 1 1 -13 12  38 o 30.554  8.4429  122.462    64.673   145.928    88.775   95.923     94.409   33.297  10.104  28.941  10.467  4.355734       14.54814 
1 1 1 -13 12  39 o 46.597  9.6511  289.977    105.528  -79.0417   228.872  389.610    118.924  30.425  13.900  54.331  9.3588  -23.90596      16.75686 
1 1 1 -13 12  40 o 22.432  9.4970  15.085     89.323   198.064    213.186  -23.8768   98.374   40.032  15.464  21.253  9.4613  18.77859       18.12911 
1 1 1 -13 12  41 o 28.185  8.7610  103.525    66.250   57.985     93.462   149.516    93.923   25.630  10.139  33.375  10.441  -7.744936      14.55382 
1 1 1 -13 12  42 o 88.113  4.7760  965.086    101.729  1064.10    147.550  875.375    140.446  91.502  6.6922  82.734  7.0639  8.767052       9.730565 
1 1 1 -13 12  43 o 43.083  10.155  257.641    104.427  257.641    104.427  0.0000     0.0000   43.083  10.155  ?       ?       0.000000       10.15528 
1 1 1 -13 12  44 o 32.624  7.9001  143.160    61.870   199.710    98.288   106.047    79.625   37.680  10.407  28.550  9.6617  9.129396       14.20034 
1 1 1 -13 12  45 o 23.713  7.7933  71.589     51.873   74.962     88.574   69.829     63.995   26.173  10.004  24.160  8.6317  2.012894       13.21325 
1 1 1 -13 12  46 o 22.514  8.7878  48.372     69.391   -73.3069   90.339   223.466    108.369  17.786  8.3330  39.441  10.940  -21.65521      13.75249 
1 1 1 -13 12  47 o 57.348  6.1407  421.179    84.119   430.089    114.567  410.757    123.907  56.590  8.6156  54.598  9.7088  1.991558       12.98037 
1 1 1 -13 12  48 o 48.811  8.6364  321.593    98.543   360.007    114.160  209.296    195.187  51.165  9.5467  38.445  14.812  12.71957       17.62235 
1 1 1 -13 12  49 o 22.353  8.8579  44.434     71.448   83.848     77.790   -168.1554  180.661  26.252  9.4998  23.522  11.242  2.729565       14.71846 
1 1 1 -13 12  50 o 76.077  8.3786  772.251    152.100  0.0000     0.0000   772.251    152.100  ?       ?       76.077  8.3786  0.000000       8.378626 
1 1 1 -13 12  51 o 49.253  6.1236  313.741    71.602   291.259    89.933   352.667    118.336  46.276  8.3151  49.809  10.136  -3.533356      13.11042 
1 1 1 -13 13  1  o 85.267  3.6148  883.223    74.787   901.905    104.542  863.641    107.032  85.965  5.0339  84.090  5.2724  1.874573       7.289582 
1 1 1 -13 13  2  o 206.264 4.8806  5174.09    244.263  5224.28    343.665  5122.86    347.242  207.020 6.8416  204.981 6.9816  2.039459       9.774979 
1 1 1 -13 13  3  o 240.597 5.5036  7044.92    321.293  7069.10    452.499  7020.33    456.280  240.639 7.7497  239.790 7.8422  0.8493500      11.02533 
1 1 1 -13 13  4  o 279.902 6.0801  9542.12    412.936  9624.11    581.820  9458.90    586.163  280.568 8.5465  278.114 8.6862  2.453766       12.18575 
1 1 1 -13 13  5  o 166.391 4.3999  3365.96    177.637  3374.18    249.526  3357.50    252.942  166.424 6.1793  166.001 6.2798  0.4232635      8.810205 
1 1 1 -13 13  6  o 194.313 4.8643  4592.91    229.343  4686.76    322.659  4497.07    326.048  196.044 6.7831  192.004 6.9985  4.040085       9.746251 
1 1 1 -13 13  7  o 149.026 5.9228  2705.24    214.167  2612.08    282.221  2831.73    328.855  145.983 7.9979  151.820 8.9669  -5.836990      12.01550 
1 1 1 -13 13  8  o 180.215 6.4962  3959.67    284.063  3858.27    379.789  4088.43    427.963  177.525 8.8170  182.319 9.7091  -4.793915      13.11509 
1 1 1 -13 13  9  f 313.027 9.5250  12015.82   723.451  11910.70   997.957  12132.25   1050.28  310.107 13.263  312.692 13.843  -2.585022      19.17094 
1 1 1 -13 13  10 o 187.302 6.6753  4278.74    303.374  4245.28    407.314  4320.43    454.649  186.164 9.0172  187.331 10.039  -1.167648      13.49399 
1 1 1 -13 13  11 o 242.989 7.8773  7215.59    464.437  7114.87    631.396  7334.33    685.569  240.515 10.819  243.954 11.582  -3.439148      15.84914 
1 1 1 -13 13  12 o 246.304 5.6301  7387.29    336.474  7477.44    475.036  7296.54    476.660  247.356 7.9148  244.317 8.0406  3.038925       11.28254 
1 1 1 -13 13  13 o 94.893  3.8803  1094.36    89.344   1200.60    125.501  985.197    127.218  99.184  5.2334  89.744  5.8746  9.439987       7.867632 
1 1 1 -13 13  14 o 64.770  3.9921  511.829    62.433   559.599    87.247   461.697    89.379   67.592  5.3638  61.258  6.0941  6.334053       8.118428 
1 1 1 -13 13  15 f 292.003 6.5362  10396.33   463.102  10200.07   654.402  10593.23   655.449  288.481 9.3490  294.040 9.1869  -5.558472      13.10733 
1 1 1 -13 13  16 o 104.035 4.0255  1315.61    101.617  1419.54    143.026  1209.68    144.400  107.840 5.4841  99.462  6.0116  8.377647       8.137265 
1 1 1 -13 13  17 o 292.830 6.4962  10456.19   461.570  10539.02   652.839  10373.40   652.676  293.248 9.1750  290.912 9.2464  2.336121       13.02602 
1 1 1 -13 13  18 o 121.244 6.0369  1791.47    177.598  1735.17    279.991  1829.37    229.724  118.494 9.8270  122.095 7.7950  -3.600830      12.54322 
1 1 1 -13 13  19 o 220.110 7.6143  5921.26    406.664  5658.93    608.125  6133.46    546.948  213.785 11.769  223.400 10.090  -9.614883      15.50203 
1 1 1 -13 13  20 o 332.407 10.149  13588.85   818.584  13657.53   1191.45  13527.45   1126.58  330.708 14.848  329.598 14.087  1.109467       20.46705 
1 1 1 -13 13  21 o 128.865 6.2093  2025.57    194.153  2097.11    309.732  1979.27    249.187  130.228 9.8756  126.886 8.1366  3.341827       12.79578 
1 1 1 -13 13  22 f 152.270 4.5788  2821.81    169.171  2703.28    235.673  2947.80    242.980  148.796 6.5276  155.392 6.4443  -6.596619      9.172748 
1 1 1 -13 13  23 o 252.787 5.7529  7794.64    352.864  7170.94    497.672  8425.17    500.390  241.696 8.4861  262.198 7.8653  -20.50142      11.57054 
1 1 1 -13 13  24 o 201.522 4.9826  4949.25    243.637  4898.18    345.748  4999.63    343.374  200.009 7.1244  202.101 7.0022  -2.092239      9.989372 
1 1 1 -13 13  25 o 143.301 4.3995  2501.38    152.973  2685.22    218.212  2323.74    214.509  148.206 6.0681  137.808 6.4152  10.39786       8.830375 
1 1 1 -13 13  26 o 186.902 4.6678  4260.20    211.686  4235.68    301.138  4284.15    297.630  185.858 6.6776  186.953 6.5612  -1.094650      9.361590 
1 1 1 -13 13  27 o 40.465  5.6810  204.240    54.242   217.368    72.021   187.033    82.452   41.408  7.4418  38.091  9.0542  3.317280       11.72002 
1 1 1 -13 13  28 o 100.398 4.2497  1229.93    103.524  1190.83    146.682  1268.74    146.129  98.288  6.1821  101.520 5.9584  -3.231949      8.586067 
1 1 1 -13 13  29 o 95.458  4.1930  1112.61    97.120   1104.14    137.747  1120.99    136.952  94.588  6.0333  95.331  5.9504  -0.7436981     8.473929 
1 1 1 -13 13  30 o 39.662  5.9974  197.822    55.914   162.773    74.007   244.438    85.349   35.399  8.6823  43.580  8.3757  -8.181282      12.06379 
1 1 1 -13 13  31 o 69.588  4.5090  595.416    75.725   495.213    104.720  705.240    109.632  62.825  6.9880  75.381  6.0448  -12.55535      9.239635 
1 1 1 -13 13  32 o 47.266  6.7096  282.320    74.790   302.974    87.188   224.792    145.510  48.729  7.6239  41.216  13.011  7.513309       15.08000 
1 1 1 -13 13  33 o 137.853 6.1075  2352.67    204.288  2264.44    259.766  2495.68    330.734  134.060 8.0227  139.482 9.8353  -5.422440      12.69236 
1 1 1 -13 13  34 o 102.311 5.8196  1298.86    143.875  1310.35    178.230  1277.37    243.766  102.149 7.2377  99.176  10.279  2.972763       12.57154 
1 1 1 -13 13  35 o 47.691  6.1632  286.610    69.651   278.123    97.809   295.341    99.209   46.037  9.0787  47.526  8.9311  -1.488831      12.73531 
1 1 1 -13 13  36 f 83.431  4.8276  859.717    97.311   865.555    134.518  853.308    140.943  83.028  6.7352  82.269  7.1312  0.7594757      9.809008 
1 1 1 -13 13  37 o 59.844  5.5880  447.229    80.202   443.438    110.272  451.487    116.861  58.760  7.9374  59.119  8.3814  -0.3585548     11.54343 
1 1 1 -13 13  38 o 44.082  9.9945  261.545    104.437  152.617    237.900  287.548    116.236  39.144  15.935  46.021  10.624  -6.876911      19.15251 
1 1 1 -13 13  39 o 35.094  10.604  165.884    97.923   100.095    220.643  182.020    109.274  35.886  15.045  36.619  11.230  -0.7326508     18.77399 
1 1 1 -13 13  40 o 51.804  6.6500  342.916    81.659   340.609    108.657  345.909    123.781  50.525  9.2023  50.294  10.483  0.2309952      13.94909 
1 1 1 -13 13  41 o 36.321  7.1216  172.821    60.520   186.232    93.737   163.235    79.251   36.779  10.165  34.673  9.2493  2.105843       13.74333 
1 1 1 -13 13  42 o 28.344  10.139  98.813     88.313   98.813     88.313   0.0000     0.0000   28.344  10.139  ?       ?       0.000000       10.13850 
1 1 1 -13 13  43 o 95.191  6.9300  1163.35    158.966  1163.35    158.966  0.0000     0.0000   95.191  6.9300  ?       ?       0.000000       6.930031 
1 1 1 -13 13  44 o 32.369  7.9954  141.703    62.427   171.932    99.780   122.259    80.024   34.922  10.735  30.077  9.6652  4.844484       14.44478 
1 1 1 -13 13  45 o 26.813  9.1520  92.621     71.451   -18.6459   94.604   240.372    109.017  20.698  9.2414  40.924  10.816  -20.22581      14.22598 
1 1 1 -13 13  46 o 44.093  7.7057  258.774    79.439   257.194    102.827  261.112    125.112  42.723  10.082  42.143  11.779  0.5806236      15.50405 
1 1 1 -13 13  47 o 44.858  9.1178  276.047    95.860   253.210    110.877  343.645    190.756  42.029  10.811  46.335  14.926  -4.306110      18.42971 
1 1 1 -13 13  48 o 18.383  8.2538  -22.8715   76.595   103.603    86.786   -468.5013  162.905  28.432  10.063  16.811  8.4800  11.62096       13.15967 
1 1 1 -13 13  49 o 84.284  8.0475  939.783    162.578  0.0000     0.0000   939.783    162.578  ?       ?       84.284  8.0475  0.000000       8.047507 
1 1 1 -13 13  50 o 21.473  9.5367  -9.6421    99.368   0.0000     0.0000   -9.6421    99.368   ?       ?       21.473  9.5367  0.000000       9.536692 
1 1 1 -13 14  1  o 419.858 8.5332  21558.78   869.313  21634.32   1226.93  21482.64   1231.88  418.920 12.070  417.397 12.163  1.522308       17.13603 
1 1 1 -13 14  2  o 82.991  3.6595  836.847    73.692   860.365    103.452  812.622    104.997  83.936  5.1038  81.540  5.3364  2.396622       7.384144 
1 1 1 -13 14  3  o 137.442 4.0719  2296.08    135.793  2248.04    190.508  2345.70    193.610  135.867 5.7788  138.789 5.7492  -2.922485      8.151541 
1 1 1 -13 14  4  o 117.205 3.8579  1669.45    109.713  1713.56    154.186  1624.20    156.147  118.649 5.3557  115.499 5.5718  3.150749       7.728397 
1 1 1 -13 14  5  o 247.369 5.6787  7451.87    340.848  7654.90    480.159  7245.65    483.927  250.273 7.9069  243.426 8.1931  6.847305       11.38622 
1 1 1 -13 14  6  o 319.767 9.7344  12545.29   755.281  12576.64   1042.28  12510.62   1096.01  318.535 13.485  317.313 14.235  1.221771       19.60847 
1 1 1 -13 14  7  o 140.401 5.7762  2401.14    196.777  2251.11    257.712  2610.90    304.729  135.488 7.8731  145.793 8.6529  -10.30493      11.69864 
1 1 1 -13 14  8  o 311.889 9.5337  11931.19   721.484  11936.62   994.442  11925.16   1048.36  310.414 13.203  309.897 13.942  0.5171509      19.20162 
1 1 1 -13 14  9  o 82.496  5.2514  831.713    104.570  605.071    131.135  1227.50    173.293  69.931  7.8647  100.024 7.1881  -30.09313      10.65474 
1 1 1 -13 14  10 o 85.966  4.2678  898.511    89.022   1026.64    143.772  818.843    113.369  91.531  6.5161  81.795  5.7487  9.736450       8.689492 
1 1 1 -13 14  11 o 311.745 6.7592  11854.43   511.284  11889.65   722.156  11819.03   723.978  311.371 9.5585  310.426 9.6118  0.9446106      13.55547 
1 1 1 -13 14  12 o 295.629 6.4825  10655.80   464.997  10335.73   656.534  10977.97   658.682  290.389 9.3178  299.356 9.0683  -8.966827      13.00210 
1 1 1 -13 14  13 o 80.626  3.8482  790.028    75.283   718.348    105.017  865.805    107.977  76.593  5.6915  84.171  5.3142  -7.578476      7.786763 
1 1 1 -13 14  14 o 113.140 4.5494  1556.83    124.891  1562.52    157.791  1547.30    204.347  113.116 5.7682  112.303 7.5430  0.8134460      9.495679 
1 1 1 -13 14  15 o 120.260 4.1068  1758.19    119.836  1575.46    168.564  1944.92    170.398  113.533 6.1418  126.379 5.5568  -12.84547      8.282543 
1 1 1 -13 14  16 o 304.255 6.6411  11291.82   490.277  11242.94   693.835  11340.57   692.879  302.760 9.4448  304.091 9.3905  -1.330566      13.31865 
1 1 1 -13 14  17 o 46.370  8.5299  271.381    92.435   245.650    152.583  286.299    116.180  44.224  13.208  47.356  10.396  -3.132450      16.80865 
1 1 1 -13 14  18 o 41.487  9.2801  219.355    91.080   53.846     151.797  312.459    113.850  31.503  12.764  49.598  9.8078  -18.09546      16.09722 
1 1 1 -13 14  19 o 271.150 8.6452  9010.18    568.783  9201.46    838.623  8847.25    774.017  272.440 12.686  267.477 11.926  4.962891       17.41184 
1 1 1 -13 14  20 o 91.430  6.1001  1024.03    134.551  1155.84    224.141  949.772    168.236  96.492  9.7050  87.726  7.9912  8.766075       12.57165 
1 1 1 -13 14  21 o 154.043 4.4888  2887.72    167.777  2791.15    233.713  2990.41    241.000  151.209 6.3700  156.518 6.3459  -5.308289      8.991493 
1 1 1 -13 14  22 o 250.513 5.7922  7656.29    352.079  7373.41    496.649  7942.08    499.189  245.107 8.3509  254.475 8.0846  -9.368118      11.62312 
1 1 1 -13 14  23 o 72.242  4.5073  637.979    78.613   566.888    103.513  734.856    120.837  67.811  6.3657  77.258  6.5066  -9.446869      9.102625 
1 1 1 -13 14  24 o 191.734 4.8631  4482.14    226.245  4184.15    317.575  4789.26    322.397  184.738 7.0848  197.749 6.7191  -13.01129      9.764274 
1 1 1 -13 14  25 o 220.819 5.3601  5956.92    287.192  5863.35    406.305  6050.33    405.998  218.289 7.6711  221.793 7.5442  -3.504349      10.75919 
1 1 1 -13 14  26 o 51.562  4.9190  327.613    60.795   391.468    84.019   257.437    88.080   56.159  6.2730  44.938  8.3864  11.22134       10.47292 
1 1 1 -13 14  27 o 77.588  4.2910  736.862    80.470   712.969    111.100  763.229    116.710  75.976  6.0775  78.604  6.1688  -2.627731      8.659682 
1 1 1 -13 14  28 o 116.223 4.2234  1649.47    119.100  1564.52    167.515  1736.30    169.367  112.620 6.1535  118.883 5.8714  -6.263245      8.505249 
1 1 1 -13 14  29 o 77.925  4.3111  744.585    81.197   692.600    113.009  800.059    116.741  74.694  6.2940  80.387  6.0290  -5.693718      8.715718 
1 1 1 -13 14  30 o 115.153 4.3291  1622.69    120.959  1599.91    171.170  1645.42    170.955  113.659 6.2304  115.305 6.1325  -1.645889      8.742155 
1 1 1 -13 14  31 o 37.625  7.5970  182.684    66.967   197.613    77.322   137.876    133.959  38.962  8.4242  34.509  12.470  4.453018       15.04860 
1 1 1 -13 14  32 o 62.349  5.9469  484.902    88.877   479.448    106.694  497.265    160.642  61.581  7.2815  61.140  11.243  0.4408607      13.39490 
1 1 1 -13 14  33 o 51.228  6.4362  330.816    78.237   381.758    92.900   206.560    145.091  54.860  7.1489  39.597  13.035  15.26323       14.86652 
1 1 1 -13 14  34 f 88.150  4.5411  957.036    96.797   936.161    141.356  975.467    132.826  86.384  6.7989  88.419  6.2310  -2.035225      9.222312 
1 1 1 -13 14  35 o 42.766  6.6713  233.117    66.967   315.318    95.360   153.132    94.066   49.335  8.2580  34.126  10.411  15.20876       13.28857 
1 1 1 -13 14  36 o 70.703  5.2869  621.195    90.043   626.322    125.232  615.707    129.559  70.186  7.4684  69.429  7.8272  0.7570572      10.81860 
1 1 1 -13 14  37 o 80.116  6.4852  807.236    124.987  921.634    269.943  776.019    141.012  80.625  14.324  78.063  7.5385  2.561783       16.18620 
1 1 1 -13 14  38 o 65.292  7.7504  548.146    120.388  628.332    267.935  527.862    134.757  63.807  17.000  63.451  9.0055  0.3558769      19.23789 
1 1 1 -13 14  39 o 52.216  9.1881  363.119    112.160  431.022    242.842  344.706    126.456  52.505  16.833  50.086  10.729  2.419224       19.96146 
1 1 1 -13 14  40 o 61.480  5.5168  475.234    81.422   608.344    114.653  339.799    115.650  68.950  6.9478  49.970  9.8885  18.97993       12.08527 
1 1 1 -13 14  41 o 53.968  8.5607  387.072    108.359  387.072    108.359  0.0000     0.0000   53.968  8.5607  ?       ?       0.000000       8.560730 
1 1 1 -13 14  42 o 24.719  10.009  49.660     93.275   49.660     93.275   0.0000     0.0000   24.719  10.009  ?       ?       0.000000       10.00921 
1 1 1 -13 14  43 o 18.509  7.3459  27.292     49.208   -69.8470   82.288   81.365     61.394   16.925  7.9371  25.249  8.4841  -8.323929      11.61802 
1 1 1 -13 14  44 o 20.000  8.3057  21.622     66.332   110.494    87.025   -101.5989  102.472  29.046  10.092  18.161  8.6189  10.88564       13.27150 
1 1 1 -13 14  45 o 32.605  9.1042  147.000    74.785   146.681    96.235   147.487    118.826  32.491  10.612  32.915  11.762  -0.4244804     15.84144 
1 1 1 -13 14  46 o 49.315  7.0098  317.969    81.516   303.966    104.949  339.265    129.424  46.827  9.5601  48.461  11.227  -1.634228      14.74586 
1 1 1 -13 14  47 o 45.304  9.2338  282.720    98.061   279.574    105.719  302.105    262.422  44.604  10.014  43.273  17.030  1.330956       19.75628 
1 1 1 -13 14  48 o 16.471  7.9183  -116.8198  92.597   0.0000     0.0000   -116.8198  92.597   ?       ?       16.471  7.9183  0.000000       7.918349 
1 1 1 -13 14  49 o 68.797  8.5436  638.535    139.548  0.0000     0.0000   638.535    139.548  ?       ?       68.797  8.5436  0.000000       8.543603 
1 1 1 -13 15  1  o 97.730  3.6768  1160.62    87.190   1103.31    121.784  1220.89    124.884  95.058  5.3012  100.026 5.1631  -4.967789      7.400022 
1 1 1 -13 15  2  o 78.423  3.2803  747.104    62.420   731.999    80.359   770.081    99.111   77.473  4.2916  79.377  5.1742  -1.904106      6.722389 
1 1 1 -13 15  3  o 137.158 4.0410  2286.82    134.485  2349.26    189.009  2222.79    191.396  138.891 5.6085  135.079 5.8396  3.811935       8.096611 
1 1 1 -13 15  4  o 239.307 7.8769  7000.38    457.379  7276.76    623.683  6678.77    672.765  243.257 10.567  232.312 11.976  10.94398       15.97105 
1 1 1 -13 15  5  o 50.572  6.0032  315.977    72.225   246.958    88.746   451.357    124.293  44.179  8.5882  60.097  8.7830  -15.91804      12.28407 
1 1 1 -13 15  6  o 21.922  7.8410  49.880     52.822   54.650     62.958   38.537     97.078   23.426  8.5357  25.581  10.263  -2.155348      13.34846 
1 1 1 -13 15  7  o 112.600 5.5955  1544.07    152.875  1805.46    197.101  1149.38    242.198  121.475 6.7132  96.128  10.558  25.34621       12.51120 
1 1 1 -13 15  8  o 239.691 7.8012  7021.55    453.707  6932.36    616.553  7126.89    670.060  237.398 10.704  240.457 11.485  -3.058762      15.69907 
1 1 1 -13 15  9  o 204.729 4.9800  5100.23    247.384  5080.80    348.538  5119.96    351.185  204.034 7.0402  204.815 7.0666  -0.7803650     9.975012 
1 1 1 -13 15  10 o 454.674 9.3454  25344.15   1031.01  25828.51   1456.68  24857.93   1459.47  456.679 13.146  447.816 13.432  8.863251       18.79425 
1 1 1 -13 15  11 o 266.277 5.9783  8639.12    386.255  8777.88    545.289  8499.39    547.211  267.851 8.3901  263.523 8.5580  4.327972       11.98474 
1 1 1 -13 15  12 o 150.181 4.3199  2742.47    157.418  2832.53    221.136  2649.94    224.139  152.470 5.9774  147.442 6.2652  5.027557       8.659187 
1 1 1 -13 15  13 o 150.359 4.3805  2749.20    159.816  2703.15    224.913  2796.17    227.131  148.917 6.2245  151.462 6.1803  -2.545654      8.771585 
1 1 1 -13 15  14 f 190.140 4.8512  4398.88    223.816  4253.34    316.058  4545.29    316.991  186.678 6.9776  193.013 6.7686  -6.334732      9.721156 
1 1 1 -13 15  15 o 73.629  4.2832  661.450    76.191   697.439    104.547  620.685    111.266  75.446  5.7544  71.041  6.5279  4.404922       8.702074 
1 1 1 -13 15  16 o 268.992 8.6560  8863.34    564.964  8717.91    831.606  8988.00    769.914  265.219 12.923  269.785 11.761  -4.566437      17.47351 
1 1 1 -13 15  17 o 80.680  6.2112  798.402    120.657  792.066    217.273  801.227    145.085  79.293  11.639  80.624  7.5025  -1.331078      13.84785 
1 1 1 -13 15  18 o 240.430 8.0339  7076.01    468.681  7022.54    700.182  7119.42    630.855  237.863 12.172  240.299 10.820  -2.436081      16.28601 
1 1 1 -13 15  19 o 134.257 6.1938  2199.09    201.771  2240.75    318.135  2171.05    260.976  134.615 9.8074  132.888 8.1329  1.726791       12.74081 
1 1 1 -13 15  20 o 257.630 5.8888  8096.21    368.121  8029.71    521.135  8162.46    520.070  255.856 8.3944  257.991 8.3079  -2.135193      11.81049 
1 1 1 -13 15  21 o 165.204 4.6605  3323.39    186.818  3280.89    261.556  3367.66    266.927  163.844 6.5792  165.988 6.6275  -2.143646      9.338603 
1 1 1 -13 15  22 o 203.918 5.3275  5071.88    263.601  4843.10    371.045  5305.01    374.556  198.691 7.6964  208.031 7.4204  -9.340302      10.69091 
1 1 1 -13 15  23 o 75.644  4.4209  699.452    80.789   657.458    108.646  751.391    120.827  73.061  6.1868  78.095  6.4337  -5.033821      8.925738 
1 1 1 -13 15  24 o 62.909  4.7264  485.452    71.619   421.465    93.364   576.933    111.635  58.242  6.7306  68.239  6.8341  -9.997139      9.591950 
1 1 1 -13 15  25 o 140.014 4.4241  2391.53    150.301  2128.95    208.559  2675.26    216.794  131.678 6.5276  147.734 6.0479  -16.05605      8.898663 
1 1 1 -13 15  26 o 153.918 4.5881  2893.83    171.350  2934.42    242.045  2853.06    242.607  154.480 6.4574  152.289 6.5656  2.191055       9.208952 
1 1 1 -13 15  27 o 102.088 4.1729  1272.53    103.366  1202.55    145.414  1344.01    146.960  98.701  6.1018  104.444 5.8222  -5.742226      8.433812 
1 1 1 -13 15  28 o 79.972  4.2336  783.869    81.859   799.323    114.739  767.850    116.821  80.373  5.9253  78.702  6.1668  1.670616       8.552117 
1 1 1 -13 15  29 o 121.117 4.3446  1795.35    127.678  1700.26    180.529  1890.51    180.600  117.114 6.3770  123.792 6.0126  -6.677826      8.764515 
1 1 1 -13 15  30 o 58.815  6.2021  432.399    87.175   447.471    105.678  400.301    154.223  59.454  7.4919  54.542  11.981  4.911709       14.13055 
1 1 1 -13 15  31 f 105.402 5.7747  1376.69    147.124  1307.55    181.874  1507.60    250.255  102.030 7.3967  108.359 9.6182  -6.329002      12.13343 
1 1 1 -13 15  32 o 80.382  5.7251  802.896    110.932  692.583    133.386  1050.35    199.776  73.977  7.5363  90.389  9.2387  -16.41232      11.92261 
1 1 1 -13 15  33 o 114.099 4.3417  1597.88    120.201  1550.70    168.694  1646.54    171.314  111.548 6.2580  114.999 6.1620  -3.451302      8.782485 
1 1 1 -13 15  34 o 66.060  4.9388  540.622    78.591   476.869    112.130  602.183    110.184  61.097  7.7372  69.181  6.6457  -8.084419      10.19949 
1 1 1 -13 15  35 o 71.103  4.9034  626.231    84.079   661.737    118.334  590.028    119.487  72.426  6.8138  68.145  7.3424  4.280792       10.01688 
1 1 1 -13 15  36 o 69.379  4.9919  597.503    83.473   528.475    116.160  671.210    120.032  64.270  7.5956  72.844  6.8723  -8.574089      10.24313 
1 1 1 -13 15  37 o 55.148  8.4796  397.315    109.832  421.486    215.773  388.862    127.600  53.003  15.679  53.759  10.154  -0.7552986     18.67982 
1 1 1 -13 15  38 o 59.679  8.1934  464.127    115.514  412.407    225.495  482.527    134.502  51.747  16.176  60.172  9.5299  -8.424744      18.77453 
1 1 1 -13 15  39 o 27.653  8.6386  99.879     64.322   125.573    86.167   67.544     96.666   30.846  10.040  26.466  10.360  4.380320       14.42699 
1 1 1 -13 15  40 o 24.702  9.8624  52.705     89.184   52.705     89.184   0.0000     0.0000   24.702  9.8624  ?       ?       0.000000       9.862370 
1 1 1 -13 15  41 o 52.381  8.5908  367.242    105.401  367.242    105.401  0.0000     0.0000   52.381  8.5908  ?       ?       0.000000       8.590763 
1 1 1 -13 15  42 o 54.120  5.5901  372.091    72.351   494.426    109.900  278.515    96.118   61.420  7.5322  45.097  9.0978  16.32306       11.81123 
1 1 1 -13 15  43 o 34.714  8.5769  165.341    71.823   221.040    90.524   70.703     117.998  39.793  9.5057  27.634  11.233  12.15962       14.71549 
1 1 1 -13 15  44 o 54.427  6.5893  383.729    85.247   290.349    111.216  516.737    132.733  45.205  10.361  61.604  9.1586  -16.39912      13.82878 
1 1 1 -13 15  45 o 24.042  8.8998  66.294     68.867   41.107     89.607   102.639    107.641  23.651  9.7214  29.174  11.058  -5.522764      14.72350 
1 1 1 -13 15  46 o 22.725  9.3077  37.522     81.783   35.271     86.626   55.980     248.048  23.005  9.5173  33.649  14.998  -10.64414      17.76314 
1 1 1 -13 15  47 o 43.227  9.9788  263.932    102.544  214.022    110.923  557.349    268.951  38.325  11.215  55.460  17.708  -17.13513      20.96052 
1 1 1 -13 15  48 o 53.112  10.169  399.087    126.280  0.0000     0.0000   399.087    126.280  ?       ?       53.112  10.169  0.000000       10.16932 
1 1 1 -13 15  49 o 31.733  10.792  142.977    99.356   273.670    239.561  115.825    109.190  40.436  16.157  29.770  11.169  10.66552       19.64202 
1 1 1 -13 16  1  o 158.579 4.3170  3057.97    166.110  3083.40    233.027  3031.71    236.849  159.061 6.0378  157.704 6.1896  1.357208       8.646755 
1 1 1 -13 16  2  o 130.138 5.6805  2062.96    179.372  2057.40    235.081  2070.71    277.505  129.556 7.5104  129.715 8.8701  -0.1593323     11.62263 
1 1 1 -13 16  3  o 112.306 5.4229  1535.79    147.774  1439.68    191.382  1677.70    232.550  108.329 7.3240  116.814 8.2578  -8.484497      11.03781 
1 1 1 -13 16  4  o 234.361 7.7167  6712.98    438.817  6778.86    597.214  6635.68    646.925  234.779 10.484  231.970 11.494  2.808884       15.55663 
1 1 1 -13 16  5  o 171.910 6.4667  3603.96    269.743  3811.03    359.594  3337.50    407.906  176.468 8.3981  164.481 10.272  11.98659       13.26818 
1 1 1 -13 16  6  o 197.404 6.9475  4755.80    332.775  4827.48    446.828  4666.53    498.657  198.426 9.2806  194.502 10.606  3.924423       14.09326 
1 1 1 -13 16  7  o 155.859 4.2893  2953.78    162.213  3032.18    227.681  2872.96    231.167  157.750 5.9483  153.523 6.2057  4.226913       8.596100 
1 1 1 -13 16  8  o 129.979 4.0217  2053.72    126.836  2058.14    178.092  2049.18    180.684  129.994 5.6462  129.702 5.7413  0.2918396      8.052438 
1 1 1 -13 16  9  o 211.134 5.0785  5425.26    260.172  5366.96    366.494  5484.49    369.401  209.662 7.2042  211.949 7.1829  -2.287186      10.17323 
1 1 1 -13 16  10 o 231.795 5.4634  6542.31    307.277  6723.37    433.032  6358.67    436.096  234.578 7.6079  228.069 7.8805  6.509491       10.95365 
1 1 1 -13 16  11 o 204.058 4.9824  5067.25    246.693  5127.00    348.003  5006.88    349.757  204.952 6.9979  202.516 7.1177  2.436172       9.981603 
1 1 1 -13 16  12 o 361.862 7.6809  16003.24   674.399  16347.16   953.520  15658.99   953.969  364.438 10.783  356.568 11.026  7.869812       15.42245 
1 1 1 -13 16  13 o 167.403 4.5266  3408.69    183.865  3803.71    260.613  3017.21    259.438  176.653 6.0801  157.241 6.7999  19.41176       9.121758 
1 1 1 -13 16  14 o 221.864 5.2893  5993.43    284.740  5804.17    402.230  6183.54    403.136  217.914 7.6072  224.971 7.3852  -7.056931      10.60240 
1 1 1 -13 16  15 o 305.821 9.3961  11479.49   697.234  11932.92   1017.59  11078.25   957.245  309.882 13.534  298.748 13.205  11.13379       18.90883 
1 1 1 -13 16  16 o 109.748 5.9917  1472.74    158.951  1323.82    261.952  1559.53    199.974  103.146 10.618  112.728 7.3513  -9.581093      12.91469 
1 1 1 -13 16  17 o 132.523 6.2939  2142.74    202.385  1737.13    325.841  2397.50    258.236  118.015 11.526  139.790 7.6423  -21.77496      13.82952 
1 1 1 -13 16  18 o 137.451 4.8097  2300.08    160.408  2358.51    201.880  2200.01    264.190  139.054 5.9834  133.746 8.1802  5.307983       10.13493 
1 1 1 -13 16  19 f 218.515 5.2832  5819.00    280.119  5820.71    397.013  5817.30    395.289  218.050 7.5039  217.994 7.4732  0.5587769E-01  10.59039 
1 1 1 -13 16  20 o 132.010 4.2317  2120.86    135.545  2197.63    192.505  2045.37    190.883  134.178 5.9128  129.424 6.0784  4.754105       8.479894 
1 1 1 -13 16  21 o 153.757 4.5237  2879.57    168.770  3028.59    239.621  2732.87    237.744  157.398 6.2743  149.464 6.5556  7.933563       9.074243 
1 1 1 -13 16  22 o 101.731 4.2096  1260.46    103.909  1066.66    141.720  1485.77    152.806  93.151  6.3074  110.119 5.7387  -16.96882      8.527375 
1 1 1 -13 16  23 o 99.332  4.2119  1202.40    101.514  1165.11    138.527  1245.65    149.191  97.400  5.8893  100.670 6.1370  -3.270195      8.505683 
1 1 1 -13 16  24 o 35.222  6.4405  156.929    53.013   171.653    67.584   133.380    85.470   36.617  7.8431  32.579  9.9207  4.037727       12.64654 
1 1 1 -13 16  25 o 89.486  4.2941  977.436    93.239   915.911    125.681  1052.75    139.050  86.164  6.0498  92.357  6.2416  -6.192940      8.692370 
1 1 1 -13 16  26 o 93.994  4.2186  1079.02    96.212   947.176    132.001  1228.44    140.527  87.503  6.2584  99.827  5.8269  -12.32404      8.551076 
1 1 1 -13 16  27 o 104.387 4.1647  1331.71    105.487  1260.99    148.068  1404.60    150.320  100.990 6.0707  106.681 5.8293  -5.690842      8.416291 
1 1 1 -13 16  28 o 118.937 4.3244  1731.37    124.799  1805.97    176.325  1656.48    176.661  120.981 6.0066  115.600 6.3222  5.381493       8.720665 
1 1 1 -13 16  29 o 27.939  8.3444  99.599     60.898   79.558     69.714   164.146    125.114  26.130  9.0352  36.078  12.112  -9.947945      15.11039 
1 1 1 -13 16  30 o 124.739 6.1134  1927.52    185.032  2075.12    233.555  1678.70    303.228  128.551 7.5205  113.275 11.178  15.27634       13.47258 
1 1 1 -13 16  31 o 52.691  6.4477  349.943    80.714   301.542    94.373   481.783    155.758  48.241  8.3657  60.067  11.096  -11.82559      13.89589 
1 1 1 -13 16  32 o 40.960  5.8241  211.734    56.252   158.889    74.711   280.906    85.477   34.694  8.8474  46.667  7.8258  -11.97273      11.81179 
1 1 1 -13 16  33 o 48.041  6.2609  291.599    71.247   282.942    101.655  299.957    99.886   46.252  9.3789  47.821  8.9371  -1.568501      12.95510 
1 1 1 -13 16  34 o 52.843  5.7536  350.298    72.580   363.409    105.300  338.431    100.180  52.865  8.4969  51.021  8.3834  1.843445       11.93647 
1 1 1 -13 16  35 o 38.129  7.5753  189.581    67.614   179.221    96.428   199.602    94.833   36.460  10.394  38.449  10.052  -1.988998      14.45928 
1 1 1 -13 16  36 o 54.842  8.3394  392.233    107.475  430.500    204.275  377.586    126.381  53.868  15.049  52.916  10.213  0.9522476      18.18695 
1 1 1 -13 16  37 o 65.318  7.6427  550.121    118.838  501.827    223.456  569.166    140.328  57.358  15.630  65.710  9.0408  -8.351746      18.05615 
1 1 1 -13 16  38 o 33.569  8.1475  150.709    65.693   187.603    87.944   104.136    98.810   37.022  9.6805  29.406  10.697  7.615459       14.42672 
1 1 1 -13 16  39 o 54.086  8.4083  387.738    106.762  387.738    106.762  0.0000     0.0000   54.086  8.4083  ?       ?       0.000000       8.408314 
1 1 1 -13 16  40 o 21.873  9.3192  15.288     86.947   15.288     86.947   0.0000     0.0000   21.873  9.3192  ?       ?       0.000000       9.319247 
1 1 1 -13 16  41 o 61.008  5.2202  469.465    76.531   556.424    113.283  396.453    103.801  65.345  7.2679  54.606  8.0781  10.73931       10.86636 
1 1 1 -13 16  42 f 63.480  5.2641  509.123    80.350   594.825    117.323  433.417    110.268  67.478  7.2810  56.951  8.2175  10.52747       10.97910 
1 1 1 -13 16  43 f 108.889 5.2051  1488.96    137.525  1848.02    187.576  1071.62    202.228  120.069 6.4622  88.553  9.5637  31.51653       11.54231 
1 1 1 -13 16  44 o 30.021  8.8768  123.567    69.178   206.546    86.043   -28.1232   116.335  38.473  9.3164  22.357  10.093  16.11578       13.73533 
1 1 1 -13 16  45 o 45.521  9.9825  291.621    107.223  295.792    116.929  269.576    268.803  45.360  10.782  41.700  16.953  3.660225       20.09156 
1 1 1 -13 16  46 o 52.997  8.8880  382.842    110.246  380.096    120.195  397.402    276.752  52.169  9.8565  46.998  17.751  5.171169       20.30367 
1 1 1 -13 16  47 o 21.100  9.6343  -40.6384   109.765  0.0000     0.0000   -40.6384   109.765  ?       ?       21.100  9.6343  0.000000       9.634332 
1 1 1 -13 16  48 o 19.620  8.2410  18.915     66.405   -36.7698   82.207   123.476    112.650  18.183  8.3161  30.454  11.361  -12.27084      14.07934 
1 1 1 -13 17  1  o 209.437 7.2368  5356.77    367.757  5573.04    496.670  5094.31    547.163  213.090 9.6060  203.036 11.149  10.05391       14.71669 
1 1 1 -13 17  2  o 60.936  5.6756  456.189    82.952   505.842    101.981  359.101    142.604  64.053  6.6591  52.986  11.428  11.06726       13.22653 
1 1 1 -13 17  3  o 23.118  7.9693  59.230     54.216   33.683     63.507   127.889    104.111  21.478  8.4004  33.119  11.048  -11.64124      13.87925 
1 1 1 -13 17  4  o 125.791 5.6419  1927.36    172.202  1898.23    224.518  1968.98    268.366  124.432 7.4709  126.486 8.7990  -2.054375      11.54278 
1 1 1 -13 17  5  o 80.462  5.4025  791.823    104.864  776.857    132.317  817.097    171.950  79.486  6.9299  81.200  8.8717  -1.714157      11.25745 
1 1 1 -13 17  6  o 165.626 4.4667  3336.33    179.506  3289.14    251.857  3385.05    255.912  164.246 6.3197  166.622 6.3299  -2.376160      8.944585 
1 1 1 -13 17  7  o 88.015  3.7797  941.504    80.720   950.746    112.794  931.801    115.567  88.214  5.2942  87.304  5.4833  0.9092636      7.622033 
1 1 1 -13 17  8  o 89.897  3.7852  982.212    82.565   951.138    115.866  1014.27    117.684  88.214  5.4397  91.116  5.3464  -2.902229      7.627251 
1 1 1 -13 17  9  o 329.504 7.0389  13254.21   562.767  13173.47   793.818  13335.78   797.942  327.473 9.9904  329.488 9.9809  -2.015137      14.12180 
1 1 1 -13 17  10 o 197.278 4.9351  4736.21    236.231  4922.67    334.311  4550.27    333.850  200.836 6.8603  193.044 7.1274  7.791595       9.892619 
1 1 1 -13 17  11 o 185.364 4.7948  4180.83    215.656  4421.35    305.549  3942.09    304.420  190.368 6.6149  179.698 6.9818  10.67064       9.617798 
1 1 1 -13 17  12 o 57.157  4.5968  399.987    63.213   364.578    89.091   435.885    89.705   54.217  6.9310  59.456  6.3147  -5.239697      9.376235 
1 1 1 -13 17  13 o 120.061 5.9820  1757.11    174.266  2116.47    282.780  1537.06    221.279  131.090 8.9437  111.764 8.2174  19.32572       12.14555 
1 1 1 -13 17  14 o 94.814  6.0386  1100.44    138.200  1277.51    238.518  1010.95    169.563  101.498 9.8072  90.584  7.7905  10.91439       12.52488 
1 1 1 -13 17  15 o 280.759 8.9294  9670.86    608.305  9664.91    892.980  9676.01    830.916  278.838 13.199  279.462 12.254  -0.6238708     18.00988 
1 1 1 -13 17  16 o 81.050  6.1984  806.091    120.974  727.224    210.271  845.112    147.903  75.801  11.818  82.798  7.4414  -6.997238      13.96548 
1 1 1 -13 17  17 o 142.766 4.3804  2480.16    151.739  2454.03    214.287  2506.44    214.898  141.796 6.2283  143.308 6.1801  -1.512619      8.774137 
1 1 1 -13 17  18 o 90.533  4.1427  997.229    91.004   1005.40    129.077  989.156    128.325  90.581  5.9051  89.841  5.9199  0.7399597      8.361563 
1 1 1 -13 17  19 o 31.318  6.9313  124.685    51.278   103.106    71.954   146.953    73.096   29.085  9.1450  33.937  8.8022  -4.852076      12.69287 
1 1 1 -13 17  20 o 145.844 4.3328  2590.30    153.327  2875.15    218.456  2313.74    215.253  153.413 5.8686  137.524 6.4507  15.88921       8.720775 
1 1 1 -13 17  21 f 39.359  5.8529  193.443    54.194   204.964    73.448   179.676    80.294   40.159  7.8188  37.410  8.9632  2.749039       11.89424 
1 1 1 -13 17  22 o 25.036  7.6205  77.573     50.438   153.558    65.730   -31.2473   78.659   34.617  7.9879  18.856  8.4223  15.76089       11.60780 
1 1 1 -13 17  23 o 108.387 4.2378  1432.84    111.450  1295.59    154.024  1583.68    161.467  102.571 6.2181  113.523 5.8820  -10.95285      8.559373 
1 1 1 -13 17  24 o 54.328  4.8273  363.679    62.972   352.470    84.804   377.457    94.018   53.090  6.7346  54.844  7.2422  -1.753883      9.889618 
1 1 1 -13 17  25 o 109.284 4.2134  1458.81    111.726  1471.33    154.290  1445.00    162.000  109.262 5.8409  108.171 6.1980  1.091209       8.516583 
1 1 1 -13 17  26 o 99.918  4.2545  1220.69    103.147  1188.47    141.497  1257.23    150.680  98.047  5.9762  100.785 6.1916  -2.738289      8.605320 
1 1 1 -13 17  27 o 76.084  4.3198  710.817    79.419   655.518    109.094  773.167    115.841  72.573  6.2564  78.905  6.0979  -6.332382      8.736525 
1 1 1 -13 17  28 o 102.976 5.7844  1313.14    143.945  1326.73    178.607  1287.96    243.149  102.943 7.1957  99.907  10.172  3.036133       12.46001 
1 1 1 -13 17  29 o 165.567 6.6876  3410.91    268.663  3480.35    348.642  3309.40    421.551  165.615 8.7065  159.462 10.962  6.152847       13.99860 
1 1 1 -13 17  30 o 19.730  7.7415  30.573     54.071   63.959     60.619   -99.4114   119.612  23.791  8.4114  20.691  9.6596  3.100451       12.80861 
1 1 1 -13 17  31 o 24.106  7.5947  72.658     49.598   95.262     64.777   40.628     77.108   27.445  8.6828  23.118  9.1891  4.327620       12.64242 
1 1 1 -13 17  32 o 110.223 4.4933  1493.73    120.170  1424.65    167.350  1567.27    172.667  106.696 6.4951  111.985 6.3810  -5.288895      9.105098 
1 1 1 -13 17  33 f 94.243  4.5706  1093.30    104.517  1154.62    146.826  1030.31    148.812  96.023  6.3374  90.456  6.8304  5.566551       9.317592 
1 1 1 -13 17  34 o 54.507  5.8010  373.308    75.542   382.438    107.163  364.291    106.505  54.192  8.4233  52.786  8.6125  1.406769       12.04689 
1 1 1 -13 17  35 o 69.900  7.3454  624.339    122.719  545.840    226.634  656.904    145.970  60.459  15.405  71.050  8.6453  -10.59125      17.66509 
1 1 1 -13 17  36 o 26.939  9.8113  83.591     83.167   -371.7634  187.140  195.656    92.838   20.493  10.141  37.844  9.9708  -17.35168      14.22163 
1 1 1 -13 17  37 o 25.765  8.4845  84.147     61.471   27.575     90.563   132.478    83.707   23.180  9.6721  31.460  9.8591  -8.280172      13.81125 
1 1 1 -13 17  38 o 66.481  5.0301  553.259    80.540   622.997    117.907  492.253    110.278  69.553  7.0854  61.516  7.5464  8.037079       10.35133 
1 1 1 -13 17  39 o 38.252  9.9734  204.495    93.521   204.495    93.521   0.0000     0.0000   38.252  9.9734  ?       ?       0.000000       9.973423 
1 1 1 -13 17  40 o 44.678  6.1503  257.337    64.907   351.170    99.073   186.779    85.911   51.230  8.2504  36.573  9.5704  14.65685       12.63571 
1 1 1 -13 17  41 o 45.627  6.2781  269.465    67.664   392.316    104.748  181.496    88.639   54.101  8.2398  35.851  9.8749  18.24961       12.86112 
1 1 1 -13 17  42 o 14.710  6.9401  -62.9030   64.608   -40.3377   82.982   -97.6383   102.955  18.232  8.3445  18.289  8.6679  -0.5657768E-01 12.03175 
1 1 1 -13 17  43 o 30.108  9.0226  124.702    71.112   80.549     89.271   201.367    117.632  26.474  10.062  37.042  11.699  -10.56840      15.43039 
1 1 1 -13 17  44 o 66.143  8.1805  583.333    128.489  537.090    140.831  813.017    313.865  62.415  9.6074  66.331  18.697  -3.916431      21.02099 
1 1 1 -13 17  45 o 54.148  8.4639  395.878    107.563  417.522    116.486  270.626    280.222  55.288  8.9922  41.561  17.150  13.72683       19.36418 
1 1 1 -13 17  46 o 40.022  11.987  241.181    125.536  0.0000     0.0000   241.181    125.536  ?       ?       40.022  11.987  0.000000       11.98670 
1 1 1 -13 17  47 f 42.131  8.0888  242.324    79.683   203.459    102.054  303.021    127.537  37.179  10.722  44.803  11.630  -7.623924      15.81824 
1 1 1 -13 18  1  o 178.141 6.4525  3870.47    278.905  3594.42    371.516  4226.96    422.189  171.020 8.9844  185.382 9.4168  -14.36238      13.01525 
1 1 1 -13 18  2  o 112.018 5.5389  1528.28    150.549  1557.39    193.624  1483.78    239.409  112.717 7.1160  109.652 9.0799  3.065224       11.53618 
1 1 1 -13 18  3  f 121.062 5.5854  1785.12    164.067  1672.30    212.145  1953.03    258.800  116.748 7.5291  126.019 8.5137  -9.270737      11.36532 
1 1 1 -13 18  4  o 125.443 3.9635  1912.90    120.639  1909.44    169.327  1916.46    171.921  125.207 5.5736  125.430 5.6489  -0.2232132     7.935620 
1 1 1 -13 18  5  f 230.383 5.3826  6463.04    300.889  6664.11    423.539  6258.17    427.532  233.541 7.4742  226.248 7.7879  7.293335       10.79422 
1 1 1 -13 18  6  o 90.687  3.7619  999.558    82.779   1013.96    116.188  984.711    117.967  91.107  5.2785  89.760  5.4422  1.347763       7.581516 
1 1 1 -13 18  7  o 224.418 5.3173  6132.29    289.543  6052.30    407.641  6213.72    411.334  222.542 7.5492  225.497 7.5178  -2.954956      10.65399 
1 1 1 -13 18  8  o 320.651 6.9041  12550.55   537.163  12368.66   757.538  12734.51   761.805  317.320 9.8388  322.014 9.7500  -4.694458      13.85155 
1 1 1 -13 18  9  f 155.093 4.3967  2925.57    165.456  2995.43    232.622  2854.05    235.381  156.749 6.1162  152.978 6.3413  3.771515       8.810238 
1 1 1 -13 18  10 o 261.779 5.8469  8351.46    371.383  8310.56    523.945  8392.75    526.492  260.547 8.2877  261.832 8.2871  -1.285461      11.72022 
1 1 1 -13 18  11 o 50.570  5.0216  314.346    60.802   311.599    84.736   317.263    87.295   50.005  7.1906  50.439  7.3488  -0.4333878     10.28153 
1 1 1 -13 18  12 f 239.531 7.8930  7020.37    458.740  7363.47    681.167  6735.59    620.572  244.154 11.498  233.709 10.943  10.44481       15.87340 
1 1 1 -13 18  13 o 150.734 6.3570  2772.25    232.503  2660.73    364.636  2848.65    301.819  146.649 10.313  152.297 8.1977  -5.647873      13.17429 
1 1 1 -13 18  14 o 45.830  8.4727  265.467    90.747   332.655    189.880  245.579    103.308  50.936  14.606  43.825  9.9434  7.111794       17.66968 
1 1 1 -13 18  15 o 167.044 6.5903  3407.82    267.117  3781.38    418.251  3150.51    347.132  174.972 9.8921  159.918 8.9824  15.05367       13.36179 
1 1 1 -13 18  16 o 68.959  4.4968  581.252    74.831   630.564    105.754  531.805    105.899  71.616  6.1454  65.628  6.7463  5.988197       9.125746 
1 1 1 -13 18  17 o 27.974  7.4152  99.239     51.145   124.571    68.807   67.964     76.455   31.375  8.7228  25.881  9.4099  5.494452       12.83098 
1 1 1 -13 18  18 o 169.474 4.6703  3498.90    192.049  3635.36    271.971  3363.17    271.227  172.415 6.5010  165.786 6.7425  6.629883       9.366146 
1 1 1 -13 18  19 o 30.720  6.8303  120.097    49.595   147.244    68.049   89.341     72.432   33.928  8.3278  27.630  9.2153  6.298100       12.42074 
1 1 1 -13 18  20 o 80.476  4.1951  791.126    81.634   766.107    115.782  815.859    115.116  78.888  6.0960  81.467  5.8628  -2.578918      8.457761 
1 1 1 -13 18  21 o 60.176  4.5428  444.237    65.841   370.377    91.665   522.955    94.632   54.441  7.1090  65.058  6.0646  -10.61730      9.344405 
1 1 1 -13 18  22 o 59.507  4.5182  434.739    64.750   455.336    91.685   414.244    91.457   60.573  6.3317  57.675  6.6576  2.898731       9.187702 
1 1 1 -13 18  23 o 49.854  5.1113  307.384    60.955   326.429    80.127   281.222    93.912   51.075  6.6213  46.864  8.5748  4.211010       10.83371 
1 1 1 -13 18  24 o 73.541  4.4273  663.557    78.632   564.528    107.986  775.334    114.726  67.305  6.7014  79.159  6.0181  -11.85425      9.007064 
1 1 1 -13 18  25 o 132.245 4.3788  2139.80    140.507  2057.19    196.118  2226.91    201.400  129.100 6.2608  134.350 6.1782  -5.249939      8.795839 
1 1 1 -13 18  26 o 133.335 4.4161  2177.55    142.872  2056.07    200.814  2302.07    203.314  128.881 6.4215  136.491 6.1390  -7.609344      8.883915 
1 1 1 -13 18  27 o 67.277  6.3211  565.556    101.977  582.396    117.339  513.576    206.155  67.984  7.2239  60.777  14.230  7.207630       15.95895 
1 1 1 -13 18  28 o 122.004 6.0233  1844.15    178.308  1952.85    226.171  1665.63    289.840  124.628 7.5144  113.051 10.693  11.57639       13.06946 
1 1 1 -13 18  29 o 83.750  5.7938  872.598    117.014  855.618    141.959  908.588    206.672  82.388  7.1728  83.233  10.465  -0.8450165     12.68705 
1 1 1 -13 18  30 o 13.180  5.9356  -18.8545   39.958   30.839     50.701   -100.3175  64.916   19.326  7.5204  13.491  6.5208  5.835153       9.953777 
1 1 1 -13 18  31 o 62.187  5.4336  481.966    81.165   484.489    107.840  478.669    123.272  61.688  7.3493  60.803  8.5952  0.8855438      11.30879 
1 1 1 -13 18  32 o 84.310  4.7759  879.041    97.300   994.257    137.367  763.030    137.841  89.028  6.4018  77.488  7.4221  11.54038       9.801571 
1 1 1 -13 18  33 o 111.406 4.5350  1529.23    122.589  1600.65    173.342  1457.76    173.391  112.988 6.3485  107.630 6.6723  5.358597       9.209965 
1 1 1 -13 18  34 o 33.720  10.259  152.353    91.430   36.084     179.905  192.839    106.162  30.875  13.286  37.538  10.967  -6.662706      17.22775 
1 1 1 -13 18  35 o 49.697  9.2239  330.380    107.131  -50.1519   213.485  458.462    123.855  29.787  13.537  58.885  8.9503  -29.09807      16.22817 
1 1 1 -13 18  36 o 54.054  5.8671  370.162    75.716   251.712    108.249  483.622    105.945  42.535  10.542  61.219  7.2747  -18.68448      12.80826 
1 1 1 -13 18  37 o 53.679  5.3569  363.405    68.841   298.514    102.641  416.460    92.810   46.826  9.3610  56.839  6.8688  -10.01289      11.61071 
1 1 1 -13 18  38 o 19.641  8.7484  -17.8367   84.238   -17.8367   84.238   0.0000     0.0000   19.641  8.7484  ?       ?       0.000000       8.748430 
1 1 1 -13 18  39 o 59.541  8.4148  474.173    118.182  474.173    118.182  0.0000     0.0000   59.541  8.4148  ?       ?       0.000000       8.414808 
1 1 1 -13 18  40 o 12.871  5.9477  -31.3360   43.594   -95.3344   83.094   -7.0308    51.208   15.996  7.6391  15.805  6.9396  0.1908770      10.32061 
1 1 1 -13 18  41 o 45.909  7.3729  279.603    79.350   283.695    104.916  274.132    121.295  44.807  9.9127  43.101  11.417  1.706017       15.11954 
1 1 1 -13 18  42 o 39.550  8.0069  212.018    74.202   232.532    95.218   180.296    118.406  40.524  9.7928  35.237  11.783  5.286827       15.32084 
1 1 1 -13 18  43 o 73.231  7.3778  703.324    129.309  713.904    145.310  663.062    283.457  73.040  8.3492  60.080  18.016  12.95987       19.85653 
1 1 1 -13 18  44 o 74.876  7.7383  740.744    138.560  674.034    152.690  1051.96    329.798  70.273  9.1737  77.086  17.965  -6.812210      20.17154 
1 1 1 -13 18  45 o 31.394  11.747  130.542    120.603  0.0000     0.0000   130.542    120.603  ?       ?       31.394  11.747  0.000000       11.74658 
1 1 1 -13 18  46 o 24.536  10.571  27.732     114.171  0.0000     0.0000   27.732     114.171  ?       ?       24.536  10.571  0.000000       10.57069 
1 1 1 -13 19  1  o 197.275 4.8439  4735.85    231.861  4797.52    325.275  4672.15    330.591  198.269 6.7613  195.626 6.9646  2.642960       9.706792 
1 1 1 -13 19  2  o 50.359  4.2259  310.546    51.159   290.037    71.406   332.178    73.333   48.380  6.2274  51.874  5.9329  -3.494385      8.601152 
1 1 1 -13 19  3  o 125.793 3.9980  1923.76    122.029  1843.41    170.525  2008.09    174.701  123.005 5.7135  128.392 5.6078  -5.386696      8.005727 
1 1 1 -13 19  4  o 200.069 4.9253  4871.54    239.098  4855.83    336.282  4887.60    340.022  199.435 6.9493  200.076 7.0040  -0.6413269     9.866539 
1 1 1 -13 19  5  o 162.610 4.4764  3216.40    176.620  3292.64    248.208  3138.20    251.378  164.325 6.2251  160.394 6.4591  3.931259       8.970645 
1 1 1 -13 19  6  o 24.221  6.4417  74.077     38.516   42.220     55.445   103.786    53.543   21.362  7.9702  28.635  7.5855  -7.272142      11.00285 
1 1 1 -13 19  7  o 185.168 4.7819  4172.40    214.849  4104.93    302.345  4241.21    305.363  183.381 6.7949  186.408 6.7513  -3.026581      9.578673 
1 1 1 -13 19  8  o 275.497 6.0507  9253.43    404.473  9174.82    570.055  9333.12    573.986  273.645 8.5855  276.000 8.5709  -2.355164      12.13145 
1 1 1 -13 19  9  o 382.516 8.0196  17907.43   744.334  17525.70   1050.52  18292.25   1054.79  376.691 11.494  384.960 11.292  -8.268280      16.11274 
1 1 1 -13 19  10 o 202.208 6.9002  4993.43    338.548  6030.02    506.645  4157.19    455.059  221.576 9.4236  183.496 10.262  38.07997       13.93224 
1 1 1 -13 19  11 o 264.186 8.5218  8555.10    546.269  8382.94    800.403  8705.21    747.399  259.897 12.692  265.333 11.609  -5.435730      17.20081 
1 1 1 -13 19  12 o 129.154 6.1045  2034.80    191.305  2257.96    312.016  1900.38    242.163  135.192 9.5737  124.308 8.0724  10.88351       12.52274 
1 1 1 -13 19  13 o 129.251 6.1921  2038.62    194.193  1853.78    317.529  2149.07    245.445  122.070 10.833  132.283 7.6800  -10.21306      13.27916 
1 1 1 -13 19  14 o 169.774 5.1641  3511.76    212.729  3712.96    266.835  3160.86    352.389  174.387 6.3061  160.103 9.1087  14.28433       11.07864 
1 1 1 -13 19  15 o 261.947 5.9939  8375.32    380.970  8354.49    538.472  8396.20    539.075  260.821 8.5086  261.475 8.4968  -0.6546326     12.02460 
1 1 1 -13 19  16 o 158.635 4.5379  3064.52    174.669  3043.09    246.984  3085.96    247.056  157.779 6.4514  158.894 6.4080  -1.115448      9.093043 
1 1 1 -13 19  17 o 100.662 4.1947  1233.61    102.455  1205.99    143.994  1261.94    145.808  99.168  6.0126  101.462 5.9486  -2.293648      8.458015 
1 1 1 -13 19  18 o 164.854 4.6681  3312.94    186.724  3246.58    264.612  3378.75    263.526  162.783 6.6994  166.102 6.5386  -3.318970      9.361401 
1 1 1 -13 19  19 o 12.086  5.6268  -36.9452   40.140   -29.1363   53.245   -47.2263   61.095   15.049  6.8076  15.338  7.0712  -0.2890587     9.815551 
1 1 1 -13 19  20 o 46.278  5.1431  264.924    56.776   272.584    77.343   255.972    83.609   46.569  7.0666  44.897  7.9666  1.671997       10.64912 
1 1 1 -13 19  21 o 105.300 4.1801  1352.76    106.803  1411.90    151.577  1294.45    150.512  107.137 5.8530  102.515 6.0780  4.622223       8.437996 
1 1 1 -13 19  22 o 44.798  5.2662  249.194    56.150   201.827    79.110   297.280    79.709   39.554  8.4963  48.611  6.9562  -9.056602      10.98066 
1 1 1 -13 19  23 o 14.549  6.3780  -9.6803    43.102   -64.4401   55.573   72.990     68.282   13.492  6.3869  25.475  8.9343  -11.98270      10.98247 
1 1 1 -13 19  24 o 29.677  6.9892  113.483    49.497   173.741    62.869   15.229     80.279   36.789  7.3006  21.764  9.0959  15.02511       11.66335 
1 1 1 -13 19  25 o 16.957  7.0014  11.448     46.744   26.948     59.696   -13.1191   75.154   20.148  8.0601  19.248  8.4303  0.8998184      11.66346 
1 1 1 -13 19  26 o 127.713 6.1658  2020.51    191.068  1877.09    234.700  2302.35    329.012  122.025 7.9707  133.618 10.226  -11.59348      12.96518 
1 1 1 -13 19  27 o 66.010  6.5086  546.828    102.889  515.861    116.461  656.942    219.612  63.678  7.6934  68.972  13.606  -5.293873      15.63034 
1 1 1 -13 19  28 o 47.001  6.9432  281.558    76.798   289.121    92.303   264.544    138.441  47.160  8.3731  43.876  12.435  3.283440       14.99121 
1 1 1 -13 19  29 o 45.002  5.3197  253.589    56.964   208.046    78.470   304.325    82.823   39.811  8.3882  48.776  7.2160  -8.964893      11.06493 
1 1 1 -13 19  30 o 35.111  7.2323  160.165    59.563   132.640    83.772   188.308    84.707   31.868  9.8427  37.574  9.3331  -5.705444      13.56412 
1 1 1 -13 19  31 o 46.236  6.2065  270.912    67.871   255.084    97.150   286.002    94.858   43.725  9.4339  46.643  8.7016  -2.918060      12.83423 
1 1 1 -13 19  32 o 37.465  7.0349  181.926    61.603   209.384    87.326   154.726    86.915   39.530  9.2658  34.001  9.9206  5.528934       13.57477 
1 1 1 -13 19  33 o 69.680  7.3174  620.975    121.869  292.979    248.534  724.805    139.834  45.313  16.881  75.084  7.7888  -29.77029      18.59090 
1 1 1 -13 19  34 o 76.870  7.1191  755.174    131.276  953.306    265.543  691.087    151.022  81.150  13.991  72.589  8.7508  8.560516       16.50250 
1 1 1 -13 19  35 o 34.363  8.1473  158.166    66.899   84.343     90.813   245.770    98.926   27.321  10.199  42.300  9.8262  -14.97886      14.16230 
1 1 1 -13 19  36 o 56.218  5.5706  399.642    74.987   524.492    115.228  307.928    98.760   63.425  7.6413  47.823  8.8365  15.60172       11.68217 
1 1 1 -13 19  37 o 30.000  10.578  116.817    95.812   116.817    95.812   0.0000     0.0000   30.000  10.578  ?       ?       0.000000       10.57829 
1 1 1 -13 19  38 o 51.337  9.2752  361.584    111.283  361.584    111.283  0.0000     0.0000   51.337  9.2752  ?       ?       0.000000       9.275171 
1 1 1 -13 19  39 o 71.859  5.0998  650.981    88.342   676.614    131.538  629.919    119.234  71.607  7.6912  69.424  7.1820  2.182182       10.52314 
1 1 1 -13 19  40 o 68.880  5.7288  605.039    94.877   492.337    128.411  740.531    140.797  59.931  9.1181  74.697  7.8875  -14.76659      12.05625 
1 1 1 -13 19  41 o 69.118  5.6864  608.987    94.520   720.214    126.612  468.961    142.060  74.222  7.1177  57.321  10.605  16.90115       12.77177 
1 1 1 -13 19  42 o 71.036  5.9302  645.480    101.280  502.490    141.275  796.671    145.270  59.813  10.094  77.545  7.8279  -17.73222      12.77330 
1 1 1 -13 19  43 o 45.688  9.4348  291.595    101.129  203.822    111.839  685.166    236.823  37.231  11.351  64.581  15.341  -27.34974      19.08338 
1 1 1 -13 19  44 o 37.897  12.165  216.563    126.808  0.0000     0.0000   216.563    126.808  ?       ?       37.897  12.165  0.000000       12.16550 
1 1 1 -13 19  45 o 28.238  11.277  89.272     116.648  0.0000     0.0000   89.272     116.648  ?       ?       28.238  11.277  0.000000       11.27749 
1 1 1 -13 20  1  o 202.264 4.9624  4979.63    243.544  4950.27    341.540  5010.01    347.380  201.343 6.9910  202.540 7.0686  -1.196533      9.941781 
1 1 1 -13 20  2  o 121.915 3.9291  1806.96    116.228  1853.65    162.462  1758.00    166.350  123.365 5.4274  120.115 5.7077  3.250221       7.876239 
1 1 1 -13 20  3  o 197.829 4.8875  4763.31    234.605  4880.80    329.916  4643.12    333.679  199.955 6.8000  194.980 7.0530  4.975128       9.797191 
1 1 1 -13 20  4  o 115.513 3.9463  1622.21    110.608  1669.98    154.871  1572.47    158.024  117.090 5.4511  113.449 5.7595  3.640236       7.930119 
1 1 1 -13 20  5  o ?       ?       -142.9885  25.549   -151.5823  30.081   -120.7400  48.401   ?       ?       10.150  5.0457  0.000000       5.045687 
1 1 1 -13 20  6  o 183.575 4.6767  4100.79    208.312  3979.05    292.714  4225.72    296.519  180.547 6.6817  186.078 6.5674  -5.531403      9.368896 
1 1 1 -13 20  7  o 197.294 4.9797  4738.72    238.385  4581.45    335.305  4899.45    338.980  193.640 7.1364  200.279 6.9755  -6.639160      9.979275 
1 1 1 -13 20  8  f 170.574 6.5872  3551.62    272.634  3246.35    411.492  3790.48    363.989  161.985 10.527  175.852 8.5305  -13.86761      13.54912 
1 1 1 -13 20  9  o 101.070 5.7949  1249.36    141.518  1108.78    225.342  1340.92    181.853  94.415  9.9881  104.495 7.2166  -10.07952      12.32237 
1 1 1 -13 20  10 o 210.252 7.2655  5405.16    370.655  5614.41    552.207  5233.58    500.037  213.056 10.716  206.173 9.9956  6.883286       14.65414 
1 1 1 -13 20  11 o 313.251 9.7246  12077.62   739.140  11840.75   1073.66  12291.02   1019.08  307.557 14.387  314.008 13.375  -6.450531      19.64408 
1 1 1 -13 20  12 f 26.130  9.1729  74.252     71.985   -91.8794   130.565  146.806    86.284   22.700  10.418  34.148  9.8620  -11.44817      14.34538 
1 1 1 -13 20  13 o 187.101 4.8607  4263.90    220.667  4234.86    311.988  4292.97    312.154  186.087 6.9097  187.369 6.8661  -1.281647      9.740962 
1 1 1 -13 20  14 o 177.134 4.7659  3822.06    204.839  3870.97    290.698  3773.83    288.686  177.906 6.7342  175.651 6.7735  2.254532       9.551404 
1 1 1 -13 20  15 o 149.881 4.4892  2735.94    163.261  2665.87    231.214  2805.60    230.559  147.645 6.4540  151.499 6.2720  -3.853607      8.999584 
1 1 1 -13 20  16 o 68.682  4.4700  577.097    74.087   530.263    103.452  626.405    106.149  65.490  6.6002  71.306  6.1968  -5.815727      9.053360 
1 1 1 -13 20  17 o 70.219  4.4321  603.288    75.126   494.720    104.391  719.924    108.200  63.139  6.9278  76.506  5.8735  -13.36660      9.082581 
1 1 1 -13 20  18 o 130.576 4.3450  2078.82    137.662  1992.39    194.975  2164.74    194.393  127.485 6.3031  132.943 6.0263  -5.458633      8.720420 
1 1 1 -13 20  19 o 58.293  4.6040  417.385    64.589   426.625    90.399   407.749    92.318   58.595  6.4660  57.199  6.7839  1.395203       9.371780 
1 1 1 -13 20  20 o 93.468  4.1492  1066.02    94.099   1003.95    134.265  1125.94    131.918  90.189  6.1726  95.648  5.7102  -5.459145      8.408749 
1 1 1 -13 20  21 o 58.898  4.5806  426.705    64.947   417.957    91.028   435.776    92.693   57.863  6.6017  59.104  6.5748  -1.241703      9.317267 
1 1 1 -13 20  22 o 117.883 4.2684  1698.98    122.090  1641.70    173.631  1755.01    171.708  115.218 6.2339  119.385 5.9276  -4.167122      8.602212 
1 1 1 -13 20  23 o 57.437  4.6332  406.852    64.022   430.991    88.623   380.503    92.589   58.730  6.3184  54.925  7.1147  3.805813       9.515289 
1 1 1 -13 20  24 o 49.971  5.2338  310.489    62.519   287.650    84.821   337.654    92.507   47.435  7.6280  51.471  7.6389  -4.035206      10.79536 
1 1 1 -13 20  25 o 112.426 6.1129  1570.47    166.127  1503.66    200.736  1715.69    295.953  109.294 7.6171  114.789 10.751  -5.494644      13.17584 
1 1 1 -13 20  26 o 54.168  7.0490  372.364    90.452   357.382    100.786  434.392    205.069  52.670  8.1495  55.150  14.950  -2.479855      17.02695 
1 1 1 -13 20  27 o 40.458  8.3450  214.400    79.201   195.566    86.678   309.659    194.931  38.337  9.3921  46.866  15.087  -8.528900      17.77195 
1 1 1 -13 20  28 o 52.672  5.2626  346.143    66.358   403.000    89.176   275.601    99.331   56.440  6.6386  45.618  9.2896  10.82185       11.41793 
1 1 1 -13 20  29 o 59.693  5.1887  443.662    74.405   482.157    106.897  407.484    103.629  61.508  7.3055  56.293  7.7962  5.215149       10.68416 
1 1 1 -13 20  30 o 72.380  4.8188  649.257    84.146   625.093    119.268  673.205    118.734  70.158  7.1041  72.972  6.7836  -2.813606      9.822685 
1 1 1 -13 20  31 o 87.520  4.6136  947.382    97.628   936.003    137.783  958.855    138.353  86.118  6.6452  87.198  6.5877  -1.079628      9.357197 
1 1 1 -13 20  32 o 43.886  9.0043  257.292    92.667   243.547    214.573  260.444    102.742  42.180  15.691  43.793  9.9014  -1.613304      18.55345 
1 1 1 -13 20  33 o 13.904  6.6504  -81.2147   63.475   -152.6317  187.605  -71.9821   67.454   24.964  11.792  14.896  7.0470  10.06842       13.73760 
1 1 1 -13 20  34 o 55.223  6.1496  388.182    81.002   480.582    112.738  289.577    116.462  60.684  7.8398  45.511  10.723  15.17363       13.28293 
1 1 1 -13 20  35 o 64.157  5.1213  516.636    79.059   627.516    116.164  420.963    107.905  69.810  6.9503  56.464  8.1087  13.34594       10.67973 
1 1 1 -13 20  36 o 49.045  9.1963  328.469    105.419  328.469    105.419  0.0000     0.0000   49.045  9.1963  ?       ?       0.000000       9.196335 
1 1 1 -13 20  37 o 66.562  8.0155  587.523    126.853  587.523    126.853  0.0000     0.0000   66.562  8.0155  ?       ?       0.000000       8.015522 
1 1 1 -13 20  38 o 19.696  7.6744  35.983     52.850   62.130     91.723   22.988     64.663   25.189  10.019  19.839  8.2165  5.349609       12.95731 
1 1 1 -13 20  39 o 22.503  8.8923  47.762     71.817   55.537     93.442   36.542     112.255  24.785  10.024  25.017  10.622  -0.2325783     14.60537 
1 1 1 -13 20  40 f 28.866  9.2359  114.117    73.134   122.430    98.148   103.740    109.660  30.126  10.697  29.081  11.128  1.044931       15.43573 
1 1 1 -13 20  41 o 55.832  6.6571  406.233    88.406   449.031    117.872  351.203    133.661  57.388  8.7411  48.699  11.496  8.688519       14.44176 
1 1 1 -13 20  42 o 25.185  10.070  61.624     93.113   37.793     101.201  193.090    237.694  24.232  10.176  37.555  15.670  -13.32253      18.68368 
1 1 1 -13 20  43 o 65.183  7.6551  564.662    118.768  527.257    131.049  736.647    281.002  61.996  8.9727  63.363  17.632  -1.366714      19.78358 
1 1 1 -13 20  44 o 29.645  11.407  111.697    115.627  0.0000     0.0000   111.697    115.627  ?       ?       29.645  11.407  0.000000       11.40655 
1 1 1 -13 20  45 f 72.710  8.2287  720.264    142.618  596.534    316.503  751.787    159.756  51.581  19.082  73.361  9.1756  -21.78005      21.17370 
1 1 1 -13 21  1  o 25.850  6.3633  84.756     39.644   -22.4693   56.168   191.203    55.964   16.018  7.1386  39.142  6.0905  -23.12436      9.383642 
1 1 1 -13 21  2  o 156.834 4.4711  2992.42    170.144  3030.32    237.698  2952.58    243.652  157.620 6.2151  155.552 6.4555  2.067886       8.961117 
1 1 1 -13 21  3  o 158.311 4.3886  3048.79    168.578  2958.72    237.154  3140.78    239.676  155.735 6.2759  160.472 6.1555  -4.736694      8.790758 
1 1 1 -13 21  4  o 257.589 5.8055  8088.35    362.856  7743.77    511.004  8438.79    515.335  251.396 8.3772  262.523 8.0902  -11.12645      11.64600 
1 1 1 -13 21  5  o 235.068 5.5239  6733.15    315.067  6724.80    443.581  6741.66    447.591  234.415 7.7987  234.693 7.8599  -0.2776794     11.07241 
1 1 1 -13 21  6  o 264.571 7.0473  8553.62    452.404  8496.54    798.278  8580.62    549.096  261.643 12.574  264.539 8.5545  -2.895874      15.20823 
1 1 1 -13 21  7  o 173.566 6.5462  3678.04    275.687  3710.10    414.578  3652.62    369.129  173.349 9.8975  172.294 8.8596  1.054626       13.28356 
1 1 1 -13 21  8  o 123.464 5.9002  1859.09    176.754  1844.49    277.720  1869.04    229.158  122.128 9.4453  123.334 7.6960  -1.205444      12.18365 
1 1 1 -13 21  9  o 85.823  5.9673  902.820    123.491  826.354    197.746  951.707    158.112  81.256  10.258  87.876  7.4868  -6.619797      12.69978 
1 1 1 -13 21  10 o 101.979 5.8635  1272.84    144.478  1149.41    231.271  1351.85    185.025  96.051  10.073  104.858 7.3181  -8.806732      12.45086 
1 1 1 -13 21  11 o 206.367 5.7521  5195.57    288.023  5030.48    358.082  5498.12    484.762  202.723 7.2797  211.294 9.4553  -8.570740      11.93305 
1 1 1 -13 21  12 o 228.765 5.4671  6382.85    303.464  6335.29    427.580  6431.13    430.762  227.304 7.7526  229.017 7.7518  -1.713135      10.96328 
1 1 1 -13 21  13 o 168.917 4.5757  3475.39    187.542  3526.26    264.284  3423.79    266.175  169.825 6.4136  167.311 6.5566  2.514740       9.171906 
1 1 1 -13 21  14 o 115.518 4.1473  1624.64    116.246  1632.10    163.822  1617.06    164.978  115.434 5.8682  114.887 5.9385  0.5476303      8.348756 
1 1 1 -13 21  15 o 12.064  5.6506  -42.0396   41.495   -54.5774   53.727   -23.5060   65.323   13.704  6.4225  17.378  7.7244  -3.673338      10.04563 
1 1 1 -13 21  16 o 184.253 4.8112  4142.58    215.096  4072.96    304.201  4212.20    304.183  182.151 6.8828  185.275 6.7664  -3.123810      9.651782 
1 1 1 -13 21  17 o 115.219 4.2410  1618.70    118.565  1649.76    167.354  1587.40    168.000  115.885 5.9721  113.633 6.1156  2.251686       8.547900 
1 1 1 -13 21  18 o 128.129 4.3212  2003.45    134.344  1941.67    190.476  2064.62    189.511  125.738 6.2432  129.713 6.0213  -3.975006      8.673714 
1 1 1 -13 21  19 o 34.693  6.5927  152.992    53.468   130.038    72.500   180.363    79.168   31.843  8.9897  37.316  8.8733  -5.472977      12.63135 
1 1 1 -13 21  20 o 16.637  6.8202  12.190     43.959   47.198     61.285   -24.9097   63.089   22.298  8.3675  16.859  7.5356  5.438581       11.26059 
1 1 1 -13 21  21 o 74.404  4.3698  679.609    78.544   779.895    110.232  576.185    111.944  79.393  5.7615  67.874  6.8929  11.51902       8.983680 
1 1 1 -13 21  22 o 33.121  6.4535  140.240    49.999   100.579    69.301   183.296    72.206   28.354  8.9820  37.577  8.1537  -9.222391      12.13092 
1 1 1 -13 21  23 o 84.716  4.2831  881.533    87.756   791.304    123.976  972.143    124.237  79.616  6.4737  88.526  5.8162  -8.909950      8.702656 
1 1 1 -13 21  24 o 165.521 6.6390  3410.35    266.635  3166.21    340.432  3797.80    428.853  157.656 8.9360  171.322 10.365  -13.66640      13.68544 
1 1 1 -13 21  25 f 73.141  6.2643  669.633    110.099  609.232    125.153  876.376    231.542  69.250  7.5717  80.611  12.221  -11.36136      14.37649 
1 1 1 -13 21  26 o 98.015  6.1248  1199.16    144.931  1097.05    171.306  1456.32    271.854  92.999  7.6597  105.086 10.816  -12.08723      13.25371 
1 1 1 -13 21  27 o 66.509  4.6934  547.509    75.254   486.115    103.502  616.366    109.612  61.886  7.0167  69.961  6.5327  -8.075115      9.586963 
1 1 1 -13 21  28 o 71.699  5.1421  638.732    88.864   776.903    127.520  508.288    123.903  78.466  6.7639  62.691  8.3532  15.77509       10.74832 
1 1 1 -13 21  29 o 62.730  5.1239  489.990    77.309   485.646    110.865  494.101    107.860  61.532  7.5862  62.200  7.2847  -0.6678925     10.51748 
1 1 1 -13 21  30 o 141.322 4.7072  2466.48    161.412  2604.00    228.972  2330.63    227.576  144.024 6.5522  135.831 6.9280  8.192139       9.535619 
1 1 1 -13 21  31 o 43.932  9.2800  259.515    95.821   289.925    200.935  250.564    109.015  44.560  15.343  42.635  10.586  1.924351       18.64097 
1 1 1 -13 21  32 o 15.808  7.3441  -52.7589   67.809   -28.5627   188.665  -56.3482   72.665   28.683  12.910  16.341  7.5955  12.34194       14.97831 
1 1 1 -13 21  33 o 92.314  5.0676  1064.09    113.075  1095.29    147.630  1019.81    175.879  92.756  6.6025  88.297  8.3069  4.459251       10.61126 
1 1 1 -13 21  34 o 33.263  8.0628  149.179    64.397   171.983    93.895   128.925    88.487   35.101  10.331  30.966  10.179  4.135149       14.50321 
1 1 1 -13 21  35 o 34.821  10.381  170.764    94.316   170.764    94.316   0.0000     0.0000   34.821  10.381  ?       ?       0.000000       10.38096 
1 1 1 -13 21  36 o 16.993  7.9988  -75.0121   84.934   -75.0121   84.934   0.0000     0.0000   16.993  7.9988  ?       ?       0.000000       7.998810 
1 1 1 -13 21  37 o 38.852  6.8878  199.774    62.555   195.267    100.292  202.644    80.030   36.706  10.642  38.223  8.8097  -1.517616      13.81498 
1 1 1 -13 21  38 o 41.082  8.3156  231.145    80.047   253.260    105.106  200.605    123.517  41.822  10.401  36.640  12.025  5.181511       15.89926 
1 1 1 -13 21  39 o 41.531  8.1077  235.085    78.770   222.271    101.370  254.615    125.145  39.071  10.477  40.990  11.888  -1.919426      15.84633 
1 1 1 -13 21  40 o 19.161  8.1297  13.275     65.679   27.395     84.521   -8.2481    104.350  22.099  9.2905  21.964  9.7630  0.1345673      13.47700 
1 1 1 -13 21  41 o 45.439  9.5699  290.911    102.179  277.333    113.061  351.438    238.708  43.571  10.758  44.557  16.555  -0.9863701     19.74327 
1 1 1 -13 21  42 f 28.706  9.8131  111.781    82.147   82.161     88.089   309.396    227.530  26.339  9.9985  42.362  16.072  -16.02373      18.92824 
1 1 1 -13 21  43 o 65.082  9.1734  587.983    140.844  0.0000     0.0000   587.983    140.844  ?       ?       65.082  9.1734  0.000000       9.173423 
1 1 1 -13 21  44 f 61.352  5.9081  487.397    86.863   499.294    110.761  468.390    140.000  60.840  7.6737  56.467  10.608  4.373020       13.09225 
1 1 1 -13 22  1  o 159.817 6.8098  3119.60    264.069  2921.31    327.420  3488.61    446.657  154.068 8.7950  167.751 11.035  -13.68298      14.11115 
1 1 1 -13 22  2  o 106.859 4.0043  1388.60    103.825  1384.87    145.699  1392.45    147.989  106.442 5.6617  106.724 5.7359  -0.2814941     8.059457 
1 1 1 -13 22  3  o 111.803 3.9868  1520.08    108.153  1437.21    152.167  1604.68    153.750  108.418 5.8054  114.749 5.5221  -6.330887      8.012264 
1 1 1 -13 22  4  o 24.355  7.9480  69.962     53.987   73.169     116.119  69.078     60.979   29.670  11.427  24.754  8.4547  4.916439       14.21452 
1 1 1 -13 22  5  o 224.374 7.5713  6161.23    412.199  6049.08    606.819  6257.31    561.669  220.852 11.362  225.296 10.275  -4.443909      15.31893 
1 1 1 -13 22  6  o 58.202  6.6168  418.997    91.783   379.685    158.826  438.707    112.462  54.263  12.342  59.316  8.0196  -5.052277      14.71828 
1 1 1 -13 22  7  o 175.830 6.6337  3777.15    283.016  3764.86    427.333  3786.76    377.731  174.451 10.139  175.345 8.9075  -0.8937531     13.49620 
1 1 1 -13 22  8  o 107.551 5.8435  1415.33    151.921  1487.11    244.071  1369.94    194.107  109.566 9.2676  105.490 7.6351  4.076553       12.00763 
1 1 1 -13 22  9  o 192.141 6.7450  4513.84    314.460  5512.30    472.771  3721.61    421.124  211.625 9.2070  173.373 10.054  38.25185       13.63267 
1 1 1 -13 22  10 o 246.162 5.6985  7394.36    340.364  7232.18    479.147  7559.55    483.579  242.718 8.1358  248.189 8.0301  -5.470276      11.43130 
1 1 1 -13 22  11 o 148.721 4.4082  2693.24    159.072  2598.52    223.571  2790.36    226.380  145.800 6.3197  151.112 6.1741  -5.312042      8.835044 
1 1 1 -13 22  12 o 55.485  4.5937  377.636    61.288   410.941    84.481   340.632    89.048   57.663  6.1322  52.235  7.2189  5.427891       9.471843 
1 1 1 -13 22  13 o 42.327  5.2607  221.975    52.863   215.629    72.846   229.033    76.833   41.277  7.5516  42.536  7.7291  -1.258968      10.80584 
1 1 1 -13 22  14 o 194.406 5.2374  4615.48    247.053  4548.71    348.306  4683.10    350.476  192.345 7.4630  195.188 7.4002  -2.842361      10.50998 
1 1 1 -13 22  15 f 179.341 4.7543  3925.81    206.884  3906.75    291.211  3945.23    293.964  178.365 6.7287  179.231 6.7595  -0.8664551     9.537669 
1 1 1 -13 22  16 o 149.207 4.4652  2717.14    161.659  2710.46    227.238  2723.99    230.027  148.585 6.3029  148.938 6.3652  -0.3530884     8.957816 
1 1 1 -13 22  17 o 63.474  4.6269  494.873    70.769   475.822    98.874   514.885    101.338  61.815  6.6993  64.357  6.5821  -2.542351      9.391717 
1 1 1 -13 22  18 o 16.476  6.8402  8.7035     44.973   -14.3627   61.056   36.062     66.495   17.226  7.5704  21.841  8.5801  -4.614986      11.44245 
1 1 1 -13 22  19 o 70.742  4.4484  614.551    75.968   623.220    107.202  605.806    107.669  70.816  6.3048  69.778  6.4317  1.037651       9.006498 
1 1 1 -13 22  20 o 117.723 4.3071  1695.97    123.029  1645.57    174.481  1745.80    173.501  115.248 6.2630  118.802 6.0387  -3.553284      8.700096 
1 1 1 -13 22  21 o 61.582  4.5704  467.528    67.805   447.374    95.832   487.730    95.949   59.678  6.7360  62.434  6.4254  -2.756184      9.309151 
1 1 1 -13 22  22 o 124.475 4.3501  1899.89    131.386  2022.23    187.384  1781.57    184.270  127.793 6.0431  119.657 6.3697  8.135910       8.780233 
1 1 1 -13 22  23 o 60.774  6.2529  463.285    90.890   483.043    109.094  418.449    164.340  61.662  7.4421  55.185  12.556  6.476604       14.59576 
1 1 1 -13 22  24 o 42.120  7.7590  229.991    76.376   247.370    86.857   170.742    160.377  43.459  8.5414  37.344  13.621  6.115456       16.07745 
1 1 1 -13 22  25 o 22.927  8.4611  55.048     62.150   44.362     66.035   137.919    183.896  22.276  8.6064  36.290  14.265  -14.01358      16.65987 
1 1 1 -13 22  26 o 76.840  4.9124  731.599    91.111   759.946    134.472  707.542    123.879  77.392  7.2453  74.807  6.9027  2.585289       10.00703 
1 1 1 -13 22  27 o 69.542  5.1569  601.466    86.395   623.453    126.852  582.442    117.992  69.830  7.6099  67.603  7.3095  2.226593       10.55178 
1 1 1 -13 22  28 o 37.458  7.9660  184.717    70.173   150.586    104.720  212.534    94.539   33.824  11.071  39.629  9.8692  -5.805489      14.83133 
1 1 1 -13 22  29 f 111.821 4.7020  1544.93    127.577  1556.53    181.704  1533.66    179.165  110.980 6.7802  110.190 6.7334  0.7906570      9.555641 
1 1 1 -13 22  30 o 62.361  7.4823  501.271    110.957  421.695    237.492  523.490    125.495  51.899  16.648  63.291  8.3778  -11.39188      18.63676 
1 1 1 -13 22  31 o 47.758  8.9257  305.579    99.629   380.383    206.300  282.827    113.776  49.585  15.468  45.118  10.577  4.467686       18.73820 
1 1 1 -13 22  32 o 31.500  7.9565  133.117    60.830   198.892    90.766   79.485     81.960   37.916  9.7961  26.291  9.7137  11.62492       13.79562 
1 1 1 -13 22  33 o 40.635  7.0042  216.503    66.566   270.454    97.385   169.191    91.195   44.387  9.3381  34.813  10.163  9.573399       13.80185 
1 1 1 -13 22  34 o 51.723  5.8231  341.814    71.809   296.646    100.674  388.595    102.456  46.427  9.2615  54.020  8.0635  -7.593212      12.27984 
1 1 1 -13 22  35 o 52.126  9.1940  373.845    112.034  373.845    112.034  0.0000     0.0000   52.126  9.1940  ?       ?       0.000000       9.194019 
1 1 1 -13 22  36 o 31.086  7.8726  132.100    59.444   180.876    97.870   103.587    74.827   35.349  10.583  27.812  9.3663  7.536495       14.13250 
1 1 1 -13 22  37 o 53.936  6.4987  379.088    83.336   447.536    110.477  288.719    126.940  57.605  8.1300  43.728  11.724  13.87711       14.26708 
1 1 1 -13 22  38 o 39.421  8.3982  214.389    77.870   292.032    105.425  121.173    115.514  45.227  9.8830  30.401  11.471  14.82686       15.14155 
1 1 1 -13 22  39 o 16.221  7.4744  -40.1387   68.138   -42.9227   87.153   -35.7614   109.282  18.497  8.4972  21.151  9.6403  -2.654554      12.85062 
1 1 1 -13 22  40 o 24.809  10.009  57.705     92.893   133.856    100.646  -380.1893  241.348  31.040  10.849  23.336  11.542  7.704205       15.84082 
1 1 1 -13 22  41 o 25.654  9.4886  80.584     78.247   105.300    82.640   -133.5747  243.255  28.070  9.8297  27.701  13.185  0.3686657      16.44621 
1 1 1 -13 22  42 o 68.983  9.0764  659.460    148.233  0.0000     0.0000   659.460    148.233  ?       ?       68.983  9.0764  0.000000       9.076406 
1 1 1 -13 22  43 o 48.931  6.6641  317.026    77.063   245.838    99.060   426.149    122.646  40.881  10.056  54.609  9.6068  -13.72847      13.90729 
1 1 1 -13 23  1  o 46.818  4.7201  269.521    52.888   278.967    71.140   257.850    79.079   47.392  6.3458  45.329  7.4486  2.062378       9.785238 
1 1 1 -13 23  2  o 158.688 6.2458  3073.69    240.489  3134.40    363.842  3026.59    320.475  159.358 9.4519  156.853 8.4517  2.504944       12.67945 
1 1 1 -13 23  3  o 134.989 5.8401  2222.66    191.284  2484.46    294.052  2030.59    251.856  142.028 8.5729  128.455 8.1223  13.57347       11.80959 
1 1 1 -13 23  4  o 327.027 9.9593  13182.68   790.270  13322.06   1142.17  13054.68   1094.57  325.930 14.443  322.983 13.967  2.946259       20.09130 
1 1 1 -13 23  5  o 173.099 6.5975  3661.30    277.099  3504.45    417.921  3784.35    370.164  168.194 10.290  175.523 8.6915  -7.328552      13.46942 
1 1 1 -13 23  6  o 28.226  9.1666  94.960     71.845   98.816     134.204  93.411     85.060   32.725  12.361  28.877  9.9805  3.847103       15.88701 
1 1 1 -13 23  7  o 114.466 5.8194  1603.12    161.097  1954.52    257.057  1375.84    206.730  125.862 8.4665  105.577 8.1325  20.28432       11.73968 
1 1 1 -13 23  8  o 76.060  4.6764  707.302    85.886   643.097    107.262  822.009    143.369  72.296  6.1738  81.596  7.3193  -9.299324      9.575328 
1 1 1 -13 23  9  o 204.378 5.0641  5092.64    251.132  4935.44    352.791  5254.12    357.565  200.684 7.2450  207.098 7.1156  -6.414368      10.15495 
1 1 1 -13 23  10 o 118.978 4.1123  1723.31    118.718  1653.96    165.807  1796.28    170.060  116.201 5.9000  121.267 5.7795  -5.065895      8.259152 
1 1 1 -13 23  11 o 57.882  4.5432  410.782    63.294   341.038    87.652   486.774    91.495   52.270  7.0943  62.802  6.0803  -10.53200      9.343454 
1 1 1 -13 23  12 o 24.994  7.2746  78.242     46.786   49.811     63.630   111.702    69.029   22.918  8.5406  29.854  8.8766  -6.936687      12.31813 
1 1 1 -13 23  13 o 125.541 4.1763  1920.83    127.215  1834.41    178.216  2010.60    181.652  122.388 6.0013  128.162 5.8414  -5.774239      8.374803 
1 1 1 -13 23  14 o 137.321 4.3056  2300.09    143.463  2279.46    201.548  2321.28    204.253  136.337 6.0926  137.576 6.1187  -1.238770      8.634706 
1 1 1 -13 23  15 o 30.813  6.5400  121.093    47.383   132.349    64.159   107.587    70.278   32.076  8.2093  29.343  9.0073  2.732559       12.18705 
1 1 1 -13 23  16 o 103.209 4.1706  1300.45    104.444  1230.11    145.915  1374.34    149.564  99.858  6.0507  105.623 5.8588  -5.764130      8.422409 
1 1 1 -13 23  17 o 43.614  5.3511  236.800    55.440   249.419    74.647   221.277    82.793   44.353  7.1817  41.394  8.5270  2.959137       11.14837 
1 1 1 -13 23  18 o 67.677  4.4164  562.834    72.124   576.651    99.436   547.495    104.770  68.124  6.0794  66.224  6.6085  1.900795       8.979503 
1 1 1 -13 23  19 o 152.028 4.5736  2833.09    168.712  2810.71    238.047  2855.68    239.146  150.634 6.5129  151.844 6.4908  -1.210785      9.195057 
1 1 1 -13 23  20 o 93.404  4.2638  1068.90    96.633   1008.81    137.993  1126.73    135.365  89.993  6.3605  95.306  5.8823  -5.312965      8.663564 
1 1 1 -13 23  21 o 38.287  7.9457  190.715    71.398   182.619    84.156   211.509    134.876  37.148  9.3450  39.795  12.522  -2.647488      15.62456 
1 1 1 -13 23  22 f 11.124  5.3961  -75.3023   45.439   -105.5275  50.280   59.382     106.136  10.884  5.3615  27.082  10.776  -16.19860      12.03599 
1 1 1 -13 23  23 o 39.051  7.8519  198.931    71.821   142.847    84.347   346.825    136.970  32.922  9.8175  50.394  11.461  -17.47215      15.09064 
1 1 1 -13 23  24 o 45.058  7.0148  260.322    74.197   255.070    86.458   275.000    144.536  44.117  8.3832  44.377  12.749  -0.2599449     15.25815 
1 1 1 -13 23  25 o 34.955  7.8202  160.562    64.668   153.747    100.941  165.306    84.222   34.106  10.844  35.127  9.6054  -1.020939      14.48648 
1 1 1 -13 23  26 o 42.645  6.9081  233.895    69.037   110.914    104.156  330.259    92.199   30.515  11.000  50.507  7.7726  -19.99199      13.46909 
1 1 1 -13 23  27 o 44.172  6.6872  250.133    69.430   175.857    102.843  312.337    94.115   36.005  10.864  48.854  8.2322  -12.84877      13.63087 
1 1 1 -13 23  28 o 50.966  6.3060  330.276    76.318   443.259    108.506  219.661    107.363  58.483  7.8442  39.879  10.820  18.60426       13.36440 
1 1 1 -13 23  29 o 53.188  8.4908  373.108    105.894  447.799    227.243  352.390    119.682  53.529  16.149  50.882  10.050  2.646915       19.02089 
1 1 1 -13 23  30 o 57.189  8.0668  429.058    108.828  528.271    249.613  405.773    120.927  57.029  16.862  54.869  9.4225  2.159779       19.31581 
1 1 1 -13 23  31 o 22.784  8.2305  59.556     58.353   170.162    87.405   -29.3839   78.378   35.057  9.8614  18.357  8.2859  16.69967       12.88035 
1 1 1 -13 23  32 o 35.948  7.4275  172.122    62.642   205.010    90.444   141.799    86.845   38.331  9.7126  32.092  10.040  6.239124       13.96900 
1 1 1 -13 23  33 o 40.634  6.6864  216.210    63.632   247.786    94.398   189.914    86.145   42.181  9.4568  36.808  9.5599  5.372803       13.44698 
1 1 1 -13 23  34 o 64.518  7.9447  554.354    121.745  554.354    121.745  0.0000     0.0000   64.518  7.9447  ?       ?       0.000000       7.944750 
1 1 1 -13 23  35 o 38.418  9.7256  210.672    90.746   199.618    97.377   283.650    250.198  37.071  10.402  41.201  16.494  -4.129517      19.50046 
1 1 1 -13 23  36 o 58.340  5.9265  438.464    82.729   408.595    118.725  466.655    115.341  54.054  9.3930  58.619  8.3448  -4.565769      12.56441 
1 1 1 -13 23  37 o 68.281  5.6161  596.301    92.222   994.353    129.407  185.510    131.461  87.882  6.1066  35.202  12.393  52.67994       13.81606 
1 1 1 -13 23  38 o 52.761  6.2887  362.116    78.921   419.053    110.047  301.822    113.243  55.402  8.4541  45.517  10.471  9.885044       13.45821 
1 1 1 -13 23  39 o 15.958  7.6362  -96.4029   83.913   -127.7218  91.077   79.512     215.853  15.832  7.6704  32.226  14.196  -16.39385      16.13588 
1 1 1 -13 23  40 o 17.769  8.2274  -50.0709   84.039   -69.8643   89.887   87.362     236.855  17.645  8.2814  33.123  14.717  -15.47821      16.88666 
1 1 1 -13 23  41 o 43.615  10.423  279.831    108.803  0.0000     0.0000   279.831    108.803  ?       ?       43.615  10.423  0.000000       10.42310 
1 1 1 -13 23  42 o 46.547  10.309  319.931    113.363  0.0000     0.0000   319.931    113.363  ?       ?       46.547  10.309  0.000000       10.30901 
1 1 1 -13 24  1  o 176.854 6.6034  3822.05    283.364  3836.90    422.908  3809.95    381.724  176.133 9.9361  175.819 8.9778  0.3142395      13.39132 
1 1 1 -13 24  2  o 316.393 9.7030  12337.87   744.898  12445.92   1076.59  12238.63   1031.73  315.059 14.083  312.770 13.595  2.289490       19.57429 
1 1 1 -13 24  3  o 154.992 6.2939  2934.33    236.697  2674.50    360.069  3132.04    314.099  146.839 10.169  159.564 8.1398  -12.72527      13.02526 
1 1 1 -13 24  4  o 100.655 5.7273  1240.20    139.299  1284.15    226.002  1213.28    176.896  101.713 9.2587  99.256  7.3982  2.456902       11.85149 
1 1 1 -13 24  5  o 108.306 5.6993  1435.43    149.248  1951.11    241.702  1117.63    189.742  125.849 7.9563  95.034  8.3121  30.81466       11.50625 
1 1 1 -13 24  6  o 19.622  7.0335  39.922     42.525   81.483     59.571   -3.2622    60.723   26.036  8.3362  18.048  7.7411  7.988455       11.37614 
1 1 1 -13 24  7  o 143.174 4.3645  2496.28    151.621  2393.75    213.188  2601.23    215.683  139.922 6.2793  145.892 6.0928  -5.970734      8.749434 
1 1 1 -13 24  8  o 170.398 4.6585  3538.53    192.606  3391.24    270.679  3689.59    274.126  166.413 6.7036  173.625 6.5069  -7.212357      9.342241 
1 1 1 -13 24  9  o 138.944 4.2786  2351.68    144.247  2360.18    202.526  2342.92    205.500  138.922 6.0082  138.393 6.1198  0.5297089      8.576127 
1 1 1 -13 24  10 o 112.471 4.1064  1540.87    112.064  1434.07    156.394  1653.57    160.657  108.099 5.9860  116.297 5.6933  -8.198547      8.261103 
1 1 1 -13 24  11 o 67.640  4.2580  559.860    69.527   518.164    95.717   606.431    101.159  64.748  6.1671  70.122  6.0033  -5.374008      8.606557 
1 1 1 -13 24  12 o 48.871  5.0252  294.870    58.740   356.161    80.268   224.199    86.191   53.521  6.3017  41.779  8.7812  11.74168       10.80834 
1 1 1 -13 24  13 o 94.660  4.0923  1092.88    93.993   1088.16    131.023  1097.89    134.916  94.038  5.7701  94.425  5.9185  -0.3866577     8.265759 
1 1 1 -13 24  14 o 18.607  7.0813  30.287     44.256   -18.7797   61.536   82.859     63.696   17.025  7.5357  26.281  8.6359  -9.255877      11.46147 
1 1 1 -13 24  15 o 125.961 4.2684  1938.61    130.457  1958.07    183.125  1918.56    185.895  126.162 5.9821  124.838 6.1370  1.324715       8.570225 
1 1 1 -13 24  16 o 71.693  4.3280  630.867    74.936   634.680    101.527  626.303    111.064  71.559  5.8999  70.915  6.5279  0.6441803      8.799015 
1 1 1 -13 24  17 o 24.875  7.3267  78.363     47.208   84.292     63.632   71.106     70.405   26.319  8.6307  25.375  9.0549  0.9444180      12.50923 
1 1 1 -13 24  18 o 80.704  4.2771  799.950    83.456   797.509    116.057  802.564    120.095  80.106  6.0149  80.297  6.2123  -0.1914291     8.647085 
1 1 1 -13 24  19 o 112.456 4.2579  1550.23    116.182  1568.80    162.646  1530.88    166.019  112.414 5.9844  110.956 6.1913  1.458855       8.610767 
1 1 1 -13 24  20 o 66.161  6.1756  548.003    97.992   483.536    114.924  719.719    187.563  61.512  7.8811  73.788  10.795  -12.27579      13.36604 
1 1 1 -13 24  21 o 59.270  6.2633  441.796    88.709   465.392    105.348  384.287    164.466  60.467  7.3301  52.451  12.991  8.016220       14.91599 
1 1 1 -13 24  22 o 21.523  8.2207  43.162     59.780   40.516     68.873   51.246     120.378  22.211  8.7300  27.593  11.296  -5.381756      14.27614 
1 1 1 -13 24  23 o 84.850  4.3391  887.877    89.034   923.915    126.530  852.535    125.305  85.884  6.1117  82.395  6.3157  3.488617       8.788721 
1 1 1 -13 24  24 o 66.084  5.1832  543.871    82.445   512.747    114.329  577.590    118.999  63.226  7.6049  67.234  7.4179  -4.008018      10.62355 
1 1 1 -13 24  25 o 20.785  8.0980  37.112     58.843   126.447    83.222   -52.2015   83.212   31.084  9.8425  18.053  8.2970  13.03032       12.87305 
1 1 1 -13 24  26 o 45.171  6.8258  262.221    72.480   232.808    109.488  285.166    96.703   41.077  10.831  46.303  8.9309  -5.225956      14.03792 
1 1 1 -13 24  27 o 57.349  7.1173  422.393    96.910   134.375    222.512  489.814    107.656  36.991  15.274  61.710  7.3334  -24.71901      16.94369 
1 1 1 -13 24  28 o 45.298  9.0927  276.206    96.465   332.864    229.923  264.102    106.270  46.540  16.389  43.775  10.195  2.765335       19.30164 
1 1 1 -13 24  29 o 29.989  9.8330  118.819    82.596   19.979     220.622  134.930    89.074   32.011  14.214  31.669  10.199  0.3416615      17.49437 
1 1 1 -13 24  30 o 56.488  5.8322  405.618    78.786   508.179    115.117  315.247    108.059  62.251  7.7920  47.885  9.6341  14.36607       12.39077 
1 1 1 -13 24  31 o 59.062  5.4619  441.810    77.387   396.350    112.593  482.515    106.542  54.114  8.8835  60.733  7.3817  -6.618759      11.55015 
1 1 1 -13 24  32 o 51.739  5.4734  340.759    67.670   293.276    101.462  378.802    90.819   45.942  9.4182  53.740  7.1418  -7.798183      11.81982 
1 1 1 -13 24  33 o 51.387  8.9688  363.374    107.760  363.374    107.760  0.0000     0.0000   51.387  8.9688  ?       ?       0.000000       8.968795 
1 1 1 -13 24  34 o 29.351  10.305  116.926    90.859   116.926    90.859   0.0000     0.0000   29.351  10.305  ?       ?       0.000000       10.30538 
1 1 1 -13 24  35 f 63.953  5.5529  523.220    85.313   635.527    117.783  399.269    123.739  69.444  7.0895  52.863  10.013  16.58084       12.26911 
1 1 1 -13 24  36 o 50.679  12.336  397.381    150.267  167.880    329.656  457.573    168.826  37.564  16.971  53.786  13.066  -16.22187      21.41775 
1 1 1 -13 24  37 o 21.027  8.4218  38.716     65.259   -15.5066   89.285   100.906    95.621   19.983  8.9460  28.050  10.466  -8.066496      13.76868 
1 1 1 -13 24  38 o 51.091  9.6644  369.873    115.418  349.232    126.935  468.383    277.304  48.564  11.024  48.479  17.876  0.8562088E-01  21.00196 
1 1 1 -13 24  39 o 33.434  10.802  163.835    99.848   218.917    108.184  -152.8625  259.405  38.205  11.045  27.918  13.377  10.28683       17.34786 
1 1 1 -13 24  40 o 26.659  10.234  86.390     92.947   0.0000     0.0000   86.390     92.947   ?       ?       26.659  10.234  0.000000       10.23428 
1 1 1 -13 24  41 o 22.109  9.4896  23.432     91.363   0.0000     0.0000   23.432     91.363   ?       ?       22.109  9.4896  0.000000       9.489559 
1 1 1 -13 25  1  o 214.449 7.3814  5634.64    384.083  5597.37    565.826  5666.49    523.044  212.193 11.028  214.152 10.066  -1.959854      14.93097 
1 1 1 -13 25  2  o 151.912 6.1920  2819.74    228.236  3002.78    346.926  2680.06    303.053  155.836 9.2160  147.403 8.5094  8.433060       12.54368 
1 1 1 -13 25  3  o 120.369 5.7879  1769.05    169.044  1762.22    263.845  1773.81    220.168  119.223 9.1916  120.022 7.5994  -0.7991714     11.92624 
1 1 1 -13 25  4  o 140.401 4.3084  2400.32    146.775  2428.32    206.330  2371.64    208.835  140.970 6.0321  139.291 6.1790  1.679413       8.635179 
1 1 1 -13 25  5  o 46.870  4.7754  270.508    53.550   207.548    73.872   340.229    77.738   40.443  7.8106  52.385  6.2386  -11.94181      9.996263 
1 1 1 -13 25  6  o 22.841  7.2282  63.032     44.889   61.916     60.616   64.388     66.798   23.891  8.4151  24.674  8.8183  -0.7824211     12.18916 
1 1 1 -13 25  7  o 142.264 4.3553  2466.06    150.340  2410.17    211.599  2523.03    213.641  140.329 6.2145  143.593 6.1318  -3.264572      8.730289 
1 1 1 -13 25  8  o 121.488 4.1563  1798.17    122.519  1702.43    172.106  1896.54    174.454  117.784 6.0424  124.524 5.7739  -6.739777      8.357519 
1 1 1 -13 25  9  o 90.438  4.0864  996.654    89.671   942.456    125.103  1053.92    128.596  87.538  5.9248  92.627  5.7501  -5.089066      8.256316 
1 1 1 -13 25  10 o 38.758  5.8101  187.975    52.956   176.053    71.972   202.048    78.197   37.032  8.2239  39.691  8.3825  -2.659157      11.74303 
1 1 1 -13 25  11 o 28.080  6.6867  100.848    44.906   164.901    59.777   17.873     68.035   35.978  7.0996  20.575  8.4655  15.40270       11.04847 
1 1 1 -13 25  12 o 78.300  4.1749  750.417    79.032   750.799    109.160  749.995    114.573  78.002  5.8093  77.889  6.1114  0.1121140      8.431910 
1 1 1 -13 25  13 o 65.714  4.3156  529.878    68.429   433.464    95.620   631.088    97.969   58.877  6.8195  71.460  5.6975  -12.58296      8.886368 
1 1 1 -13 25  14 o 69.681  4.2351  595.685    71.265   574.696    98.572   618.670    103.151  68.048  6.0326  70.610  6.0800  -2.562248      8.564908 
1 1 1 -13 25  15 o 69.232  4.2850  588.666    71.628   579.720    99.713   598.204    102.960  68.282  6.0821  69.342  6.1843  -1.060089      8.673904 
1 1 1 -13 25  16 o 25.729  7.2736  84.743     47.429   97.247     63.604   69.081     71.183   27.752  8.5773  25.200  9.0923  2.552277       12.49961 
1 1 1 -13 25  17 o 75.358  4.3290  698.421    78.824   679.083    109.316  719.365    113.765  73.794  6.1615  75.943  6.2287  -2.148994      8.761346 
1 1 1 -13 25  18 o 33.107  6.6588  141.117    51.637   72.093     69.563   225.825    77.062   25.282  9.0029  41.738  7.8986  -16.45628      11.97665 
1 1 1 -13 25  19 o 51.079  7.1374  332.712    86.044   243.676    98.812   611.997    175.004  42.734  9.7455  67.704  11.033  -24.96958      14.72073 
1 1 1 -13 25  20 o 38.596  7.9452  194.891    71.927   208.400    80.193   139.312    162.660  39.749  8.5673  35.377  13.549  4.371010       16.03036 
1 1 1 -13 25  21 o 54.186  6.5008  372.037    83.764   348.211    98.682   433.457    158.442  51.796  8.1188  56.001  12.020  -4.205093      14.50487 
1 1 1 -13 25  22 o 52.656  4.9501  345.570    62.502   385.576    87.541   303.972    89.266   55.071  6.6885  48.377  7.8758  6.694706       10.33267 
1 1 1 -13 25  23 o 63.207  5.1562  498.022    78.390   480.994    106.432  518.210    115.891  61.300  7.2991  63.485  7.6796  -2.184536      10.59494 
1 1 1 -13 25  24 o 55.543  5.5613  387.386    73.943   480.349    104.850  295.407    104.294  61.259  7.1908  46.921  9.4868  14.33776       11.90411 
1 1 1 -13 25  25 o 41.780  6.7611  225.085    66.200   232.884    92.439   216.874    94.848   41.520  9.3950  39.887  9.8570  1.632828       13.61716 
1 1 1 -13 25  26 o 48.140  8.4466  306.694    95.064   154.405    211.332  345.328    106.441  37.304  15.080  50.908  8.9435  -13.60400      17.53233 
1 1 1 -13 25  27 o 28.455  9.9527  101.235    84.708   404.757    218.287  47.426     91.910   50.682  15.927  24.604  9.9451  26.07831       18.77713 
1 1 1 -13 25  28 o 66.444  7.6527  575.227    121.122  390.880    256.699  628.024    137.376  48.628  17.297  69.004  8.3766  -20.37601      19.21831 
1 1 1 -13 25  29 o 18.615  7.8982  9.6056     61.996   -43.4305   98.993   43.830     79.522   20.066  9.1573  23.080  9.2782  -3.013498      13.03612 
1 1 1 -13 25  30 o 84.842  5.0835  904.553    104.167  939.256    150.699  872.802    144.148  84.864  7.3923  81.831  7.3378  3.033310       10.41584 
1 1 1 -13 25  31 o 88.366  4.8350  979.925    103.275  914.832    148.304  1041.21    143.901  83.547  7.3920  89.788  6.6525  -6.240471      9.944715 
1 1 1 -13 25  32 o 23.004  9.3019  45.556     80.441   45.556     80.441   0.0000     0.0000   23.004  9.3019  ?       ?       0.000000       9.301946 
1 1 1 -13 25  33 o 46.449  9.1805  302.612    99.801   302.612    99.801   0.0000     0.0000   46.449  9.1805  ?       ?       0.000000       9.180516 
1 1 1 -13 25  34 o 26.985  8.9311  98.955     68.081   116.387    90.378   76.086     103.516  29.139  10.274  26.565  10.619  2.573977       14.77532 
1 1 1 -13 25  35 o 46.458  6.6829  285.131    73.165   307.030    100.354  260.283    106.899  46.657  9.1914  41.970  10.518  4.687897       13.96828 
1 1 1 -13 25  36 f 18.088  7.8744  1.0855     64.695   76.590     92.317   -71.7786   90.689   25.951  10.134  17.617  8.2842  8.334345       13.08932 
1 1 1 -13 25  37 o 44.902  9.9150  290.736    105.138  315.093    113.921  150.787    273.071  46.460  10.369  35.875  15.877  10.58431       18.96280 
1 1 1 -13 25  38 o 39.364  10.820  231.965    106.542  208.317    116.022  359.192    269.111  36.924  11.613  43.232  17.172  -6.308117      20.73042 
1 1 1 -13 25  39 o 21.288  9.3016  8.1684     91.007   0.0000     0.0000   8.1684     91.007   ?       ?       21.288  9.3016  0.000000       9.301570 
1 1 1 -13 25  40 o 53.275  9.8865  413.127    123.095  0.0000     0.0000   413.127    123.095  ?       ?       53.275  9.8865  0.000000       9.886528 
1 1 1 -13 26  1  o 68.056  4.2319  566.114    69.536   508.010    95.087   632.909    101.950  64.170  6.1834  71.735  5.9098  -7.564453      8.553431 
1 1 1 -13 26  2  o 134.584 4.2586  2205.83    139.068  2189.19    194.001  2223.42    199.458  133.830 5.9743  134.851 6.0958  -1.021393      8.535286 
1 1 1 -13 26  3  o 224.260 5.3739  6139.94    292.420  6267.46    410.873  6009.06    416.268  225.910 7.4956  221.109 7.7590  4.801727       10.78822 
1 1 1 -13 26  4  o 12.921  6.0457  -46.9761   47.287   -42.8796   52.029   -66.4276   113.374  14.025  6.4868  21.650  9.8489  -7.625110      11.79321 
1 1 1 -13 26  5  o 78.569  4.0646  753.877    77.223   787.862    108.182  718.569    110.268  80.094  5.6019  76.403  5.9962  3.690849       8.205832 
1 1 1 -13 26  6  o 198.355 4.9987  4803.65    240.584  4832.25    338.692  4774.53    341.803  198.331 7.0380  197.105 7.1469  1.226379       10.03051 
1 1 1 -13 26  7  o 125.329 4.1868  1914.74    127.320  2036.82    178.970  1789.66    181.165  128.997 5.7179  120.668 6.2086  8.329262       8.440423 
1 1 1 -13 26  8  o 96.471  4.0688  1134.61    95.241   1179.53    134.117  1088.91    135.272  97.979  5.6656  94.064  5.9576  3.915741       8.221429 
1 1 1 -13 26  9  o 52.017  4.6690  333.161    58.302   324.117    80.645   343.064    84.384   50.905  6.6913  52.370  6.8013  -1.465645      9.540983 
1 1 1 -13 26  10 o 83.572  4.0882  852.305    82.900   872.391    115.083  830.640    119.521  84.140  5.6700  82.004  6.0495  2.136093       8.291307 
1 1 1 -13 26  11 o 86.119  4.1078  905.615    85.837   938.704    118.957  869.672    123.983  87.252  5.6492  83.845  6.1369  3.406326       8.341140 
1 1 1 -13 26  12 o 90.129  4.0894  992.467    89.431   1051.42    125.001  930.652    128.000  92.320  5.6068  86.694  6.1243  5.625404       8.303240 
1 1 1 -13 26  13 o 74.948  4.1961  689.128    76.001   697.744    105.754  679.926    109.296  75.026  5.8556  73.977  6.1446  1.049561       8.487857 
1 1 1 -13 26  14 o 76.638  4.1406  720.795    76.711   638.452    106.905  808.197    110.139  71.592  6.2159  80.779  5.6550  -9.186928      8.403324 
1 1 1 -13 26  15 f 34.743  6.1555  153.686    49.993   153.538    68.768   153.852    72.806   34.263  8.3484  34.252  8.7335  0.1111603E-01  12.08176 
1 1 1 -13 26  16 o 39.715  5.5770  198.492    52.261   104.211    70.248   315.345    78.206   28.667  9.0392  49.931  6.6182  -21.26440      11.20302 
1 1 1 -13 26  17 o 25.304  8.2230  79.279     57.811   121.486    63.010   -145.2980  145.344  30.462  8.2992  21.873  10.347  8.589163       13.26385 
1 1 1 -13 26  18 o 30.663  8.5603  123.520    66.123   110.451    73.189   181.572    154.254  29.322  9.2238  37.724  13.409  -8.401674      16.27528 
1 1 1 -13 26  19 o 25.314  8.6211  77.398     63.400   43.133     69.632   243.523    153.322  22.489  8.7961  41.893  13.370  -19.40440      16.00362 
1 1 1 -13 26  20 o 27.263  8.8474  94.099     66.933   105.896    74.281   43.174     154.337  28.783  9.3185  29.575  12.500  -0.7918072     15.59134 
1 1 1 -13 26  21 o 43.291  5.9598  237.807    60.943   139.990    88.316   326.727    84.204   32.506  10.117  50.462  7.0712  -17.95609      12.34336 
1 1 1 -13 26  22 o 51.597  5.6483  335.134    69.560   309.504    94.766   365.074    102.424  48.553  8.3447  52.860  8.2556  -4.306778      11.73836 
1 1 1 -13 26  23 o 112.577 4.6833  1566.71    127.927  1477.32    173.750  1672.54    189.048  108.118 6.6555  114.956 6.8079  -6.838921      9.520671 
1 1 1 -13 26  24 o 37.669  7.2046  185.498    63.451   140.662    86.976   236.509    92.772   32.390  10.033  41.795  9.3785  -9.404644      13.73407 
1 1 1 -13 26  25 o 59.677  7.2769  459.683    103.188  329.138    195.600  510.025    121.465  46.536  15.126  62.405  8.2220  -15.86870      17.21588 
1 1 1 -13 26  26 o 59.770  9.2092  479.249    129.267  0.0000     0.0000   479.249    129.267  ?       ?       59.770  9.2092  0.000000       9.209167 
1 1 1 -13 26  27 o 71.410  7.1549  659.454    122.306  541.089    245.077  698.710    141.138  57.087  16.659  72.895  8.1175  -15.80799      18.53184 
1 1 1 -13 26  28 o 78.967  5.1283  783.591    97.730   832.368    137.978  734.482    138.445  80.108  7.1746  74.828  7.7369  5.279404       10.55149 
1 1 1 -13 26  29 o 51.254  6.2706  339.191    76.358   281.455    110.967  391.115    105.233  44.350  10.478  53.942  8.3066  -9.592552      13.37145 
1 1 1 -13 26  30 o 16.738  6.9811  12.466     47.149   -129.2590  89.539   66.840     55.461   15.653  7.5888  23.168  8.0561  -7.515805      11.06759 
1 1 1 -13 26  31 f 32.014  10.512  146.273    94.383   146.273    94.383   0.0000     0.0000   32.014  10.512  ?       ?       0.000000       10.51195 
1 1 1 -13 26  32 o 30.735  10.384  133.906    91.974   133.906    91.974   0.0000     0.0000   30.735  10.384  ?       ?       0.000000       10.38402 
1 1 1 -13 26  33 o 60.536  5.8371  473.103    84.676   459.464    116.585  488.331    123.188  57.734  8.5836  59.352  8.8224  -1.618038      12.30903 
1 1 1 -13 26  34 o 31.745  8.5037  141.827    66.818   207.589    92.065   68.636     97.127   37.674  9.9307  25.586  10.265  12.08855       14.28249 
1 1 1 -13 26  35 o 26.504  8.7374  95.626     65.183   185.959    92.440   6.2913     91.927   35.536  10.192  21.316  9.3302  14.21982       13.81754 
1 1 1 -13 26  36 o 45.527  10.005  300.674    107.512  297.663    116.619  317.726    277.506  44.634  10.869  41.370  17.068  3.264580       20.23511 
1 1 1 -13 26  37 o 36.273  10.952  198.387    104.489  206.068    113.323  154.806    269.945  36.689  11.467  35.550  15.757  1.139431       19.48769 
1 1 1 -13 26  38 o 17.023  7.4847  -4.1469    59.743   29.973     79.795   -47.6712   90.123   21.541  9.0401  18.427  8.5278  3.114716       12.42763 
1 1 1 -13 26  39 o 25.238  10.139  69.838     94.883   0.0000     0.0000   69.838     94.883   ?       ?       25.238  10.139  0.000000       10.13852 
1 1 1 -13 27  1  o 125.580 4.1593  1921.01    126.738  1969.46    176.348  1869.24    182.267  126.925 5.7261  123.594 6.0778  3.331276       8.350327 
1 1 1 -13 27  2  o 26.692  7.5574  89.921     51.161   134.556    57.045   -93.5676   115.660  32.454  7.4073  20.831  9.6476  11.62355       12.16321 
1 1 1 -13 27  3  o 29.047  7.6141  107.648    54.318   144.306    59.977   -59.5955   128.108  33.598  7.5420  23.563  10.618  10.03545       13.02425 
1 1 1 -13 27  4  o 45.193  4.9609  252.367    53.505   289.275    74.066   212.081    77.379   48.135  6.5084  40.764  8.1086  7.371319       10.39748 
1 1 1 -13 27  5  o 133.911 4.1657  2186.38    135.353  2163.94    189.783  2209.60    193.096  132.895 5.8855  134.280 5.9265  -1.385284      8.352420 
1 1 1 -13 27  6  o 56.029  4.5262  385.707    61.007   316.838    86.101   455.142    86.454   50.199  7.2813  60.637  5.9527  -10.43811      9.404871 
1 1 1 -13 27  7  o 50.809  4.7270  318.179    57.608   257.124    80.276   383.004    82.717   45.018  7.6211  55.490  6.2525  -10.47191      9.857694 
1 1 1 -13 27  8  o 77.655  4.0621  737.925    76.273   710.497    106.496  766.812    109.292  75.848  5.8313  78.830  5.7536  -2.982719      8.191972 
1 1 1 -13 27  9  o 68.174  4.1738  569.792    68.709   523.592    95.480   619.414    98.952   64.942  6.1319  70.757  5.8150  -5.815041      8.450721 
1 1 1 -13 27  10 o 104.831 4.1016  1342.83    104.330  1270.88    145.883  1418.16    149.265  101.417 5.9544  107.213 5.7589  -5.795120      8.283710 
1 1 1 -13 27  11 o 30.841  6.5802  122.015    47.741   23.558     64.170   244.067    71.446   20.437  8.2927  43.863  6.9442  -23.42571      10.81626 
1 1 1 -13 27  12 f 118.425 4.2041  1716.70    120.803  1657.33    169.208  1778.41    172.524  115.662 6.0503  120.011 5.9247  -4.348953      8.468068 
1 1 1 -13 27  13 o 23.022  7.2373  65.697     45.067   21.533     58.787   128.653    70.188   19.530  7.9328  31.432  8.8353  -11.90180      11.87395 
1 1 1 -13 27  14 o 71.161  4.2615  623.151    73.242   612.215    101.107  635.227    106.243  70.046  6.0070  71.295  6.2034  -1.248589      8.635187 
1 1 1 -13 27  15 o 53.499  4.7280  354.852    60.743   373.648    84.097   334.349    87.833   54.408  6.4989  51.175  7.2787  3.233215       9.757797 
1 1 1 -13 27  16 o 34.329  8.2483  155.300    67.850   176.946    79.283   96.064     131.154  36.492  9.0083  31.131  12.101  5.361677       15.08559 
1 1 1 -13 27  17 o 14.542  6.6098  -28.1029   50.927   12.939     54.932   -279.1454  135.859  18.180  7.5548  17.633  8.7102  0.5469856      11.53009 
1 1 1 -13 27  18 f 28.058  8.8364  101.266    67.149   95.565     74.634   125.485    153.833  27.740  9.3542  33.932  13.129  -6.192322      16.12017 
1 1 1 -13 27  19 o 61.763  4.7756  473.987    71.011   390.379    96.602   572.277    104.742  55.086  7.4158  67.260  6.4990  -12.17385      9.860598 
1 1 1 -13 27  20 o 107.520 4.5116  1426.44    117.702  1436.92    165.248  1415.65    167.690  106.839 6.4040  105.951 6.5551  0.8877106      9.164074 
1 1 1 -13 27  21 o 69.995  5.4734  613.192    92.219   534.147    139.084  675.205    123.191  63.502  9.3025  72.748  7.0683  -9.246117      11.68318 
1 1 1 -13 27  22 o 134.232 4.8392  2232.22    157.613  2098.96    215.551  2385.33    231.051  128.609 6.9330  137.091 6.9689  -8.482513      9.830215 
1 1 1 -13 27  23 o 22.598  8.0698  58.570     55.928   101.638    78.177   13.420     80.044   28.281  9.5734  21.176  8.9791  7.104502       13.12538 
1 1 1 -13 27  24 o 71.719  6.8738  658.852    118.151  683.711    222.259  649.060    139.494  67.947  13.948  70.329  8.3367  -2.382584      16.24992 
1 1 1 -13 27  25 o 67.394  7.0110  585.560    112.970  626.927    211.124  568.964    133.725  64.686  13.868  65.464  8.6289  -0.7779770     16.33316 
1 1 1 -13 27  26 o 28.170  9.7047  102.535    80.392   339.194    178.391  42.225     90.055   46.579  14.359  23.874  9.7714  22.70559       17.36874 
1 1 1 -13 27  27 o 38.416  7.7699  198.310    69.937   156.014    104.195  232.990    94.348   33.349  11.049  40.764  9.6825  -7.415028      14.69147 
1 1 1 -13 27  28 o 52.189  6.3015  352.421    78.181   460.945    113.702  255.097    107.675  58.589  8.2246  42.014  10.571  16.57541       13.39380 
1 1 1 -13 27  29 o 27.874  8.7210  106.112    65.527   138.904    99.640   81.122     86.983   31.470  10.806  26.214  9.9393  5.255899       14.68214 
1 1 1 -13 27  30 o 27.938  10.541  98.395     97.534   98.395     97.534   0.0000     0.0000   27.938  10.541  ?       ?       0.000000       10.54116 
1 1 1 -13 27  31 o 72.031  7.5199  693.357    129.492  693.357    129.492  0.0000     0.0000   72.031  7.5199  ?       ?       0.000000       7.519883 
1 1 1 -13 27  32 o 33.252  8.6246  156.455    70.175   213.680    89.484   65.044     113.097  38.361  9.6286  26.254  10.869  12.10706       14.52064 
1 1 1 -13 27  33 o 59.460  6.0492  459.705    86.059   418.106    112.138  519.313    134.234  54.800  8.7261  60.537  9.4472  -5.736710      12.86056 
1 1 1 -13 27  34 o 24.984  9.0171  79.960     70.018   3.5561     91.164   189.857    109.336  21.042  9.2490  35.314  11.292  -14.27198      14.59643 
1 1 1 -13 27  35 o 67.129  7.9325  610.719    126.710  544.461    141.276  883.247    286.519  61.779  9.7478  68.697  17.222  -6.917870      19.78902 
1 1 1 -13 27  36 o 64.240  8.0692  562.798    123.002  625.619    134.529  242.640    303.700  67.465  8.4001  38.357  16.870  29.10766       18.84545 
1 1 1 -13 27  37 o 23.668  8.9498  66.770     70.407   35.848     91.674   111.238    109.936  22.867  9.6478  28.904  11.122  -6.036947      14.72351 
1 1 1 -13 27  38 o 26.780  10.921  81.402     111.981  0.0000     0.0000   81.402     111.981  ?       ?       26.780  10.921  0.000000       10.92109 
1 1 1 -13 28  1  o 70.441  5.0904  609.381    86.419   662.843    98.703   433.803    178.871  73.393  5.5845  57.385  13.131  16.00866       14.26885 
1 1 1 -13 28  2  o 115.278 4.1529  1620.30    116.161  1623.57    162.081  1616.85    166.563  114.973 5.8290  114.692 6.0061  0.2816544      8.369620 
1 1 1 -13 28  3  o 52.819  4.6327  343.259    58.772   275.092    80.415   421.425    86.111   46.697  7.3393  58.280  6.1839  -11.58295      9.597168 
1 1 1 -13 28  4  o 71.621  4.1937  628.008    72.560   557.816    100.193  705.423    105.222  67.106  6.2242  75.627  5.7778  -8.520645      8.492596 
1 1 1 -13 28  5  o 43.267  5.0649  232.194    52.166   175.493    72.749   292.208    74.845   36.885  8.3259  48.293  6.5567  -11.40791      10.59767 
1 1 1 -13 28  6  o 38.690  5.4819  187.175    50.024   200.356    70.363   173.705    71.132   39.581  7.6027  36.686  8.1974  2.894966       11.18027 
1 1 1 -13 28  7  o 113.389 4.1086  1570.51    113.039  1698.56    158.390  1437.58    161.376  117.591 5.5512  107.849 6.1927  9.741936       8.316638 
1 1 1 -13 28  8  o 58.911  4.3787  426.869    62.143   409.830    86.926   444.681    88.873   57.282  6.3616  59.730  6.2236  -2.448269      8.899575 
1 1 1 -13 28  9  o 16.847  6.6606  19.932     40.310   128.058    56.235   -94.3399   57.811   31.464  7.4764  12.609  6.1092  18.85542       9.654993 
1 1 1 -13 28  10 o 92.538  4.0983  1047.86    92.022   952.330    128.540  1148.30    131.798  87.569  6.0874  96.339  5.6631  -8.769852      8.314257 
1 1 1 -13 28  11 o 183.829 4.9483  4155.67    220.715  4060.44    309.832  4253.79    314.496  180.448 7.0764  184.737 7.0161  -4.288895      9.964996 
1 1 1 -13 28  12 o 81.886  4.1821  824.117    82.818   799.648    115.473  850.034    118.843  80.121  5.9830  82.624  5.9681  -2.503860      8.450662 
1 1 1 -13 28  13 f 50.931  4.7824  322.022    58.408   297.147    79.221   351.647    86.455   48.292  6.9619  52.615  6.9416  -4.322090      9.831237 
1 1 1 -13 28  14 o 26.394  8.5151  87.359     62.066   68.195     71.618   145.176    124.396  24.971  9.1031  34.181  12.053  -9.209835      15.10454 
1 1 1 -13 28  15 o 30.677  8.4718  124.043    65.139   230.852    75.523   -186.2311  128.721  42.140  7.6688  18.965  9.1707  23.17465       11.95460 
1 1 1 -13 28  16 o 63.458  6.1474  507.174    93.469   566.468    111.421  366.339    171.718  66.754  6.9823  50.456  13.682  16.29731       15.36025 
1 1 1 -13 28  17 o 33.708  8.3779  151.147    68.224   151.733    75.458   148.526    159.682  33.663  9.0449  35.429  13.459  -1.765919      16.21564 
1 1 1 -13 28  18 o 24.065  8.1420  70.555     56.546   4.7768     85.711   121.250    75.245   21.353  9.1790  30.330  9.3218  -8.976761      13.08242 
1 1 1 -13 28  19 o 57.367  5.3441  412.476    73.532   400.259    106.137  423.752    101.968  55.371  8.1430  57.288  7.5171  -1.916084      11.08224 
1 1 1 -13 28  20 o 68.778  4.9158  589.225    81.496   523.319    115.698  654.124    114.811  63.632  7.6466  71.724  6.6738  -8.091316      10.14938 
1 1 1 -13 28  21 o 39.780  7.0159  206.006    65.244   144.467    92.214   267.691    92.323   32.759  10.359  44.710  8.8235  -11.95155      13.60773 
1 1 1 -13 28  22 o 71.649  6.7437  655.963    115.861  651.479    210.027  657.925    138.909  66.790  13.425  70.908  8.2265  -4.118042      15.74545 
1 1 1 -13 28  23 o 86.688  6.5346  957.646    136.438  1004.95    242.077  935.627    165.172  84.126  12.217  84.576  8.1495  -0.4503555     14.68530 
1 1 1 -13 28  24 o 50.559  9.4816  349.838    112.043  0.0000     0.0000   349.838    112.043  ?       ?       50.559  9.4816  0.000000       9.481550 
1 1 1 -13 28  25 o 33.432  7.9529  151.351    63.575   83.868     89.944   218.729    89.873   26.896  10.128  39.627  9.4752  -12.73137      13.86944 
1 1 1 -13 28  26 o 39.653  7.3086  209.391    67.727   163.190    93.003   261.555    98.823   33.900  10.354  43.144  9.6783  -9.244030      14.17328 
1 1 1 -13 28  27 o 53.451  5.9679  367.946    76.079   436.542    108.217  300.912    106.977  57.011  8.0468  46.059  9.8692  10.95171       12.73392 
1 1 1 -13 28  28 f 48.468  6.5607  307.988    75.172   276.229    110.131  335.692    102.860  43.433  10.554  49.161  8.9529  -5.728001      13.83976 
1 1 1 -13 28  29 o 36.534  10.969  200.226    105.032  200.226    105.032  0.0000     0.0000   36.534  10.969  ?       ?       0.000000       10.96920 
1 1 1 -13 28  30 o 34.964  10.527  182.269    96.631   182.269    96.631   0.0000     0.0000   34.964  10.527  ?       ?       0.000000       10.52666 
1 1 1 -13 28  31 o 47.803  7.2045  307.302    80.970   340.788    107.801  263.956    122.648  48.774  9.4503  41.057  11.728  7.716854       15.06172 
1 1 1 -13 28  32 o 17.880  7.7617  3.3958     62.496   37.089     78.275   -55.8526   103.798  21.889  9.0506  19.521  9.0748  2.368195       12.81662 
1 1 1 -13 28  33 f 60.145  8.2684  497.632    117.475  424.098    128.459  873.278    290.342  53.864  10.202  67.027  17.620  -13.16241      20.36049 
1 1 1 -13 28  34 o 60.472  9.4854  520.161    134.601  520.161    134.601  0.0000     0.0000   60.472  9.4854  ?       ?       0.000000       9.485415 
1 1 1 -13 28  35 o 70.018  7.9464  667.701    132.613  670.265    146.395  655.975    313.075  69.208  8.9258  53.411  19.091  15.79624       21.07436 
1 1 1 -13 28  36 o 23.998  8.8398  72.464     67.788   173.438    85.828   -94.9710   110.521  34.177  9.8258  18.729  8.9068  15.44791       13.26194 
1 1 1 -13 28  37 o 23.329  10.162  26.746     107.882  0.0000     0.0000   26.746     107.882  ?       ?       23.329  10.162  0.000000       10.16225 
1 1 1 -13 29  1  o 24.456  7.1103  75.293     44.718   81.475     60.248   67.709     66.729   25.946  8.3915  24.892  8.8225  1.054108       12.17592 
1 1 1 -13 29  2  o 109.044 4.0807  1451.08    107.968  1423.05    149.825  1481.37    155.726  107.524 5.7637  109.681 5.8728  -2.157455      8.228576 
1 1 1 -13 29  3  o 158.015 4.5343  3052.62    173.848  3110.21    242.958  2992.21    248.863  158.932 6.3002  155.783 6.5838  3.149414       9.112598 
1 1 1 -13 29  4  o 96.881  4.0565  1146.21    95.358   1103.49    132.986  1191.42    136.809  94.560  5.8244  98.285  5.7619  -3.725731      8.192882 
1 1 1 -13 29  5  o 183.562 4.8484  4129.03    215.944  4076.69    302.633  4183.33    308.226  181.484 6.8725  183.822 6.9104  -2.338104      9.746036 
1 1 1 -13 29  6  o 189.829 4.9517  4420.97    228.076  4399.07    320.627  4443.40    324.503  188.306 7.0173  189.222 7.0678  -0.9163361     9.959733 
1 1 1 -13 29  7  f 103.136 4.0823  1301.08    102.160  1333.81    143.246  1267.22    145.739  103.874 5.7053  101.153 5.9643  2.721352       8.253682 
1 1 1 -13 29  8  o 82.526  4.0749  833.521    81.596   810.326    113.758  858.100    117.104  80.801  5.8417  83.160  5.8406  -2.359352      8.260606 
1 1 1 -13 29  9  o 144.758 4.4238  2570.60    155.383  2503.18    218.678  2639.34    220.828  142.021 6.3458  145.888 6.2384  -3.866455      8.898684 
1 1 1 -13 29  10 o 56.274  4.5421  391.465    61.491   429.028    84.397   348.961    89.776   58.531  6.0289  52.345  7.2643  6.186275       9.440188 
1 1 1 -13 29  11 o 79.223  4.2053  772.354    80.548   819.749    113.857  724.867    113.966  81.108  5.8241  76.101  6.2265  5.007111       8.525805 
1 1 1 -13 29  12 o 103.905 5.8823  1345.48    147.694  1262.86    183.463  1497.64    248.967  99.751  7.6380  107.300 9.6664  -7.548790      12.31982 
1 1 1 -13 29  13 o 26.310  8.3554  87.769     59.940   48.125     67.992   226.035    126.977  22.760  8.7495  40.499  12.038  -17.73893      14.88218 
1 1 1 -13 29  14 o 23.735  8.1800  66.954     57.118   73.224     64.308   43.526     124.317  24.877  8.6735  27.321  11.360  -2.443974      14.29280 
1 1 1 -13 29  15 f 62.375  6.1342  490.904    91.640   541.607    110.096  376.544    165.345  65.144  7.0792  51.193  13.219  13.95034       14.99552 
1 1 1 -13 29  16 o 45.788  5.0983  263.017    55.681   284.586    77.131   239.545    80.464   47.015  6.9726  42.653  8.0704  4.362106       10.66530 
1 1 1 -13 29  17 o 41.070  6.4143  216.562    61.830   228.115    90.170   206.309    84.946   41.107  9.2624  39.110  9.1193  1.997005       12.99818 
1 1 1 -13 29  18 o 83.079  4.6503  856.468    93.366   925.231    131.447  786.449    132.641  85.537  6.3792  78.478  7.0405  7.058899       9.500700 
1 1 1 -13 29  19 o 131.181 4.6763  2131.18    148.845  2084.84    208.905  2178.96    212.129  128.193 6.7398  131.103 6.6907  -2.909668      9.496861 
1 1 1 -13 29  20 o 35.812  7.4514  169.490    62.641   106.393    93.224   221.428    84.581   29.273  10.422  40.493  8.8552  -11.22002      13.67628 
1 1 1 -13 29  21 o 31.359  9.8527  132.787    83.539   96.605     168.859  144.512    96.126   32.309  13.320  32.635  10.603  -0.3252373     17.02518 
1 1 1 -13 29  22 o 29.909  9.5715  119.992    78.542   87.063     170.422  128.872    88.502   31.733  13.257  30.953  10.180  0.7799664      16.71439 
1 1 1 -13 29  23 o 52.495  8.3133  368.628    102.363  247.574    199.238  412.040    119.314  40.505  15.109  54.964  9.2767  -14.45895      17.72978 
1 1 1 -13 29  24 o 59.900  5.4164  455.095    77.871   488.173    107.625  418.754    112.810  60.933  7.4334  55.654  8.6336  5.279755       11.39274 
1 1 1 -13 29  25 o 58.792  5.6475  441.433    79.572   436.258    109.681  447.184    115.617  56.958  8.1702  57.414  8.5610  -0.4556541     11.83399 
1 1 1 -13 29  26 o 29.198  8.3800  117.739    62.476   154.478    85.787   76.248     91.168   32.868  9.9236  26.021  10.096  6.847336       14.15644 
1 1 1 -13 29  27 o 46.097  6.8793  281.821    74.589   363.887    109.792  211.477    101.649  50.905  9.2287  37.753  10.640  13.15240       14.08452 
1 1 1 -13 29  28 o 38.571  7.3499  201.956    66.276   201.962    105.672  201.953    85.092   36.520  11.011  37.420  9.3876  -0.9001846     14.46965 
1 1 1 -13 29  29 o 27.584  10.720  95.174     102.924  95.174     102.924  0.0000     0.0000   27.584  10.720  ?       ?       0.000000       10.72028 
1 1 1 -13 29  30 o 18.104  8.0773  -11.2422   72.130   91.560     97.960   -132.9824  106.601  27.045  10.473  17.238  8.3381  9.807020       13.38689 
1 1 1 -13 29  31 o 22.526  8.9424  51.746     72.938   50.641     100.219  52.991     106.355  24.382  10.174  24.924  10.447  -0.5416584     14.58260 
1 1 1 -13 29  32 o 73.051  7.5727  720.514    132.278  665.114    146.660  962.153    306.295  68.785  9.0035  69.485  18.016  -0.7001495     20.14089 
1 1 1 -13 29  33 o 38.304  10.250  219.598    97.137   186.184    104.019  447.321    271.553  34.905  10.999  45.772  17.512  -10.86772      20.67937 
1 1 1 -13 29  34 o 37.175  8.8086  198.005    78.238   177.694    99.476   230.945    126.682  34.175  10.754  37.876  12.160  -3.700550      16.23267 
1 1 1 -13 29  35 o 22.513  8.8455  54.809     70.682   122.468    91.939   -42.9751   110.528  29.154  10.353  20.497  9.4711  8.657484       14.03191 
1 1 1 -13 29  36 o 29.184  11.607  117.885    123.082  0.0000     0.0000   117.885    123.082  ?       ?       29.184  11.607  0.000000       11.60672 
1 1 1 -13 30  1  o 85.125  4.0395  885.009    83.435   912.248    114.291  853.927    122.086  86.012  5.5052  83.052  6.1010  2.960365       8.217654 
1 1 1 -13 30  2  o 107.837 4.1081  1421.12    107.490  1361.06    149.199  1485.94    154.996  104.978 5.8810  109.714 5.8434  -4.735931      8.290441 
1 1 1 -13 30  3  o 111.504 4.1072  1520.06    111.121  1492.12    154.974  1549.62    159.417  109.900 5.8325  111.984 5.8877  -2.083763      8.287505 
1 1 1 -13 30  4  o 95.750  4.0609  1121.22    94.346   1147.06    130.564  1092.99    136.484  96.344  5.6094  93.907  6.0216  2.436501       8.229575 
1 1 1 -13 30  5  o 61.063  4.4211  459.262    65.062   540.882    89.819   369.159    94.371   65.993  5.6642  53.941  7.4058  12.05119       9.323558 
1 1 1 -13 30  6  o 67.112  4.3044  554.229    69.724   513.711    97.153   597.262    100.124  64.074  6.3319  69.227  6.0207  -5.153618      8.737318 
1 1 1 -13 30  7  o 32.388  6.1722  134.197    46.734   105.653    64.228   166.315    68.129   28.666  8.5713  35.683  8.0592  -7.016777      11.76510 
1 1 1 -13 30  8  o 74.876  4.1976  689.825    75.954   697.404    106.892  682.094    107.947  74.770  5.9408  73.894  6.0744  0.8760986      8.496559 
1 1 1 -13 30  9  o 79.089  4.1537  769.713    79.431   822.802    110.819  713.622    113.910  81.300  5.6529  75.461  6.2782  5.839005       8.448135 
1 1 1 -13 30  10 o 41.372  7.2935  221.175    70.540   169.488    81.587   374.226    140.393  35.631  9.3275  52.324  11.382  -16.69314      14.71568 
1 1 1 -13 30  11 o 27.216  8.5215  94.914     62.549   124.987    70.601   -14.8393   134.875  30.785  8.9294  25.374  11.197  5.411694       14.32184 
1 1 1 -13 30  12 o 13.519  6.2610  -38.2966   48.710   23.675     54.263   -295.4126  110.528  18.998  7.6547  14.625  7.3247  4.372329       10.59456 
1 1 1 -13 30  13 o 65.113  6.0891  534.552    95.084   485.184    112.613  657.143    177.460  61.302  7.7438  69.643  10.856  -8.341438      13.33448 
1 1 1 -13 30  14 o 13.729  6.0512  -9.3427    39.268   31.312     51.307   -66.8321   61.012   19.323  7.5525  14.138  6.6926  5.184935       10.09114 
1 1 1 -13 30  15 o 22.106  7.9663  54.770     54.619   35.524     82.435   69.831     72.923   22.992  9.3726  25.000  9.1747  -2.007448      13.11565 
1 1 1 -13 30  16 o 43.647  6.2635  243.853    64.433   379.259    93.889   123.308    88.587   54.152  7.3342  30.717  10.189  23.43553       12.55393 
1 1 1 -13 30  17 o 66.259  4.9579  548.068    79.132   657.417    112.641  441.516    111.192  71.891  6.5286  58.061  8.1145  13.83046       10.41475 
1 1 1 -13 30  18 o 113.914 9.2072  1716.32    252.312  715.305    462.806  2139.68    300.974  59.138  22.802  126.467 9.8869  -67.32902      24.85321 
1 1 1 -13 30  19 o 78.682  5.9226  782.689    112.242  697.583    227.239  810.153    129.088  68.201  14.194  79.587  6.7483  -11.38530      15.71615 
1 1 1 -13 30  20 o 36.447  9.5252  183.746    85.174   268.068    163.404  152.289    99.804   42.214  13.830  33.269  10.804  8.944611       17.54981 
1 1 1 -13 30  21 o 37.854  9.2891  198.383    84.682   249.478    177.771  183.386    96.312   40.619  14.400  36.032  10.423  4.587364       17.77622 
1 1 1 -13 30  22 o 31.747  8.0277  137.127    61.877   219.526    83.908   38.902     91.613   39.916  8.8914  23.662  9.7882  16.25382       13.22367 
1 1 1 -13 30  23 o 23.534  8.3141  68.066     59.214   127.067    85.071   12.614     82.472   30.358  9.9804  21.017  9.0183  9.340664       13.45135 
1 1 1 -13 30  24 o 21.772  8.0802  53.611     56.839   119.054    79.090   -16.2939   81.741   29.369  9.6217  19.187  8.5768  10.18252       12.88942 
1 1 1 -13 30  25 o 41.322  7.0566  228.094    68.212   192.499    91.278   273.113    102.652  36.381  10.021  43.511  9.9408  -7.129356      14.11514 
1 1 1 -13 30  26 o 16.438  7.1963  -3.2477    54.705   30.689     79.925   -33.1590   75.036   21.678  9.0693  17.374  7.9456  4.304518       12.05757 
1 1 1 -13 30  27 o 15.941  6.7012  10.303     43.969   -103.2316  91.093   44.789     50.204   16.454  7.8955  20.115  7.5685  -3.660997      10.93715 
1 1 1 -13 30  28 o 29.776  10.920  125.930    103.285  125.930    103.285  0.0000     0.0000   29.776  10.920  ?       ?       0.000000       10.92015 
1 1 1 -13 30  29 o 28.753  9.3837  118.395    75.253   56.811     105.119  183.135    107.778  25.001  10.425  34.397  11.230  -9.395952      15.32322 
1 1 1 -13 30  30 o 47.874  7.6190  313.758    85.538   209.431    117.607  430.932    124.638  36.325  11.722  54.379  9.8069  -18.05415      15.28306 
1 1 1 -13 30  31 o 43.532  10.999  291.631    116.216  421.894    132.820  -133.8461  240.044  52.987  10.699  26.576  12.770  26.41093       16.65944 
1 1 1 -13 30  32 f 32.684  10.688  161.284    97.617   137.645    105.018  311.478    264.710  30.659  11.046  39.831  16.571  -9.171650      19.91511 
1 1 1 -13 30  33 o 42.607  7.8795  251.935    78.459   235.627    102.144  275.402    122.534  39.303  10.508  41.572  11.670  -2.268768      15.70354 
1 1 1 -13 30  34 o 30.746  9.3061  139.130    75.375   121.421    98.479   164.178    117.120  29.030  10.661  32.444  11.668  -3.414389      15.80477 
1 1 1 -13 30  35 o 50.244  11.755  408.538    140.762  0.0000     0.0000   408.538    140.762  ?       ?       50.244  11.755  0.000000       11.75509 
1 1 1 -13 31  1  o 19.814  7.0630  42.354     42.825   83.884     55.251   -20.1417   67.777   25.864  7.9943  17.797  7.8914  8.067358       11.23316 
1 1 1 -13 31  2  o 67.547  4.2646  560.969    69.536   560.075    94.989   562.002    102.069  67.091  5.8948  67.075  6.3469  0.1575470E-01  8.662105 
1 1 1 -13 31  3  o 77.793  4.5982  745.304    86.409   750.010    132.936  741.862    113.706  77.227  7.1764  77.172  6.1227  0.5480957E-01  9.433303 
1 1 1 -13 31  4  o 47.041  4.9402  275.163    55.546   233.475    75.860   323.350    81.557   42.564  7.6252  50.520  6.8282  -7.955944      10.23561 
1 1 1 -13 31  5  o 25.075  7.0174  80.909     44.379   60.471     58.589   108.419    67.973   23.252  8.2642  29.039  8.8481  -5.787804      12.10723 
1 1 1 -13 31  6  o 25.234  7.0077  82.177     44.435   107.975    59.083   48.586     67.419   28.794  8.1106  22.822  8.7269  5.972282       11.91393 
1 1 1 -13 31  7  o 33.422  6.2458  143.367    48.787   146.938    67.188   139.383    70.958   33.370  8.3253  32.471  8.7908  0.8992119      12.10733 
1 1 1 -13 31  8  o 26.292  8.1755  88.246     57.685   135.764    65.352   -79.3946   122.749  32.049  8.3279  21.607  9.9831  10.44152       13.00063 
1 1 1 -13 31  9  o 21.028  8.0598  40.910     57.589   33.229     65.663   66.510     119.877  21.191  8.4619  28.348  11.393  -7.156471      14.19177 
1 1 1 -13 31  10 o 20.738  8.0233  38.351     57.453   61.228     65.359   -39.4150   120.503  23.699  8.6875  22.858  10.300  0.8412094      13.47430 
1 1 1 -13 31  11 o 20.880  7.9497  41.808     55.792   9.3006     62.522   168.885    123.617  18.842  7.9596  35.558  12.038  -16.71588      14.43181 
1 1 1 -13 31  12 o 39.479  7.6180  204.714    70.331   184.714    80.540   268.944    144.334  36.994  9.0475  43.299  12.827  -6.304249      15.69662 
1 1 1 -13 31  13 o 23.421  7.7967  67.841     51.857   88.857     80.960   53.221     67.527   27.224  9.7105  23.023  8.7507  4.200397       13.07168 
1 1 1 -13 31  14 o 53.970  5.3329  366.210    68.923   399.047    100.540  337.095    94.669   55.370  7.6912  50.699  7.9576  4.670414       11.06694 
1 1 1 -13 31  15 o 32.201  7.4775  137.542    57.304   177.989    86.012   105.260    76.841   36.038  9.6457  28.550  9.4902  7.487684       13.53160 
1 1 1 -13 31  16 o 31.758  7.6411  134.403    58.165   58.488     86.921   195.963    78.272   24.969  9.8095  38.090  8.6643  -13.12112      13.08807 
1 1 1 -13 31  17 o 16.259  7.0239  -1.2183    50.685   -169.2553  81.423   105.090    64.763   13.657  6.7457  28.145  8.6479  -14.48748      10.96770 
1 1 1 -13 31  18 o 21.322  8.7472  29.183     72.378   -282.9011  152.189  120.398    82.278   18.806  9.2764  30.023  9.8126  -11.21693      13.50330 
1 1 1 -13 31  19 o 69.104  7.0570  618.655    116.668  655.317    214.185  603.188    139.118  65.677  13.875  67.125  8.7496  -1.447533      16.40351 
1 1 1 -13 31  20 o 30.111  9.8100  123.379    82.258   130.714    168.676  121.090    94.221   33.388  13.481  30.153  10.500  3.235626       17.08720 
1 1 1 -13 31  21 o 37.135  7.2697  184.316    63.159   172.036    92.995   194.830    86.050   34.696  10.300  37.174  9.5034  -2.477867      14.01441 
1 1 1 -13 31  22 o 36.088  7.7416  177.084    65.757   185.971    91.418   167.557    94.655   35.931  10.078  34.073  10.452  1.858223       14.51932 
1 1 1 -13 31  23 o 33.426  7.8691  153.689    62.764   126.777    84.447   186.904    93.815   30.062  9.9467  35.771  10.270  -5.709536      14.29690 
1 1 1 -13 31  24 o 26.106  8.5631  92.424     62.637   115.781    86.298   66.420     91.057   28.911  10.049  25.070  9.9792  3.841007       14.16247 
1 1 1 -13 31  25 o 35.058  7.8711  170.615    65.314   185.010    92.551   156.333    92.187   35.263  10.222  32.520  10.366  2.743320       14.55839 
1 1 1 -13 31  26 o 20.271  7.8088  43.494     54.238   77.054     77.053   10.534     76.360   24.889  9.3741  19.856  8.5993  5.033136       12.72093 
1 1 1 -13 31  27 o 40.816  11.133  259.818    113.313  259.818    113.313  0.0000     0.0000   40.816  11.133  ?       ?       0.000000       11.13331 
1 1 1 -13 31  28 o 22.963  9.6337  41.274     90.571   66.443     101.463  -57.4280   200.928  25.285  10.363  26.178  12.317  -0.8929138     16.09631 
1 1 1 -13 31  29 o 59.657  6.7155  474.462    95.519   419.412    125.576  550.044    147.141  53.223  10.093  60.849  10.336  -7.626808      14.44642 
1 1 1 -13 31  30 o 43.337  11.063  291.625    116.726  316.719    131.896  200.976    250.684  44.342  11.977  35.507  15.478  8.834938       19.57093 
1 1 1 -13 31  31 o 49.436  10.406  366.907    120.877  327.725    136.068  513.588    263.265  44.916  12.179  48.332  17.478  -3.415867      21.30289 
1 1 1 -13 31  32 o 24.558  9.1970  76.749     73.964   88.288     91.228   54.614     126.350  26.251  10.123  25.922  11.144  0.3287811      15.05535 
1 1 1 -13 31  33 o 33.835  9.0808  169.095    76.109   149.106    97.236   200.710    122.288  31.189  10.676  34.954  11.973  -3.765421      16.04149 
1 1 1 -13 31  34 o 25.488  10.750  66.953     113.771  0.0000     0.0000   66.953     113.771  ?       ?       25.488  10.750  0.000000       10.75044 
1 1 1 -13 32  1  f 92.560  4.1417  1050.13    93.018   987.372    128.322  1119.63    135.027  89.075  5.9717  94.908  5.8926  -5.832245      8.389547 
1 1 1 -13 32  2  o 40.772  5.3852  208.717    51.972   198.793    68.168   222.493    80.317   39.210  7.4372  41.269  8.3082  -2.059288      11.15069 
1 1 1 -13 32  3  o 24.102  7.0991  74.198     44.320   94.539     59.599   49.033     66.291   27.169  8.2867  22.752  8.6648  4.417124       11.98950 
1 1 1 -13 32  4  o 55.141  4.5988  376.801    60.969   366.199    83.549   388.877    89.171   53.785  6.5364  55.362  6.7798  -1.577404      9.417524 
1 1 1 -13 32  5  o 39.422  5.4410  196.005    50.658   196.467    67.825   195.423    76.183   38.868  7.4630  38.475  8.3964  0.3937836      11.23369 
1 1 1 -13 32  6  o 34.401  8.1785  156.602    67.265   178.235    78.296   95.639     131.436  36.537  8.9114  30.933  12.089  5.603821       15.01829 
1 1 1 -13 32  7  o 46.671  7.0489  280.237    77.336   290.971    91.063   252.466    146.476  47.098  8.2702  42.299  13.007  4.799374       15.41355 
1 1 1 -13 32  8  f 20.067  7.7937  35.105     54.372   9.9870     60.873   134.214    120.917  18.683  7.8711  32.866  11.852  -14.18243      14.22718 
1 1 1 -13 32  9  o 79.807  5.9465  800.987    114.325  823.483    138.061  751.906    203.927  80.300  7.1610  73.703  11.801  6.597008       13.80410 
1 1 1 -13 32  10 o 20.611  7.8382  41.153     54.198   72.486     60.457   -87.0915   122.311  24.446  8.4162  21.078  9.8162  3.367468       12.93020 
1 1 1 -13 32  11 o 33.084  6.2583  141.825    48.398   119.205    67.847   165.260    69.058   29.895  8.7773  35.137  8.2424  -5.241926      12.04073 
1 1 1 -13 32  12 o 21.791  7.8483  53.553     53.008   114.087    82.654   11.261     69.086   29.599  9.8428  19.733  8.3531  9.865770       12.90952 
1 1 1 -13 32  13 o 23.283  7.8723  66.671     52.861   -30.4684   85.002   127.928    67.501   19.181  8.6460  30.836  8.6634  -11.65454      12.23963 
1 1 1 -13 32  14 o 47.094  5.9064  282.664    66.008   187.413    101.014  353.645    87.200   36.622  10.698  52.255  7.0580  -15.63322      12.81639 
1 1 1 -13 32  15 o 49.225  6.2036  310.347    72.450   455.863    101.438  158.818    103.512  59.300  7.1974  33.943  11.001  25.35685       13.14665 
1 1 1 -13 32  16 o 38.983  8.4502  205.612    77.623   112.484    167.552  231.061    87.589   32.811  13.367  41.115  9.0271  -8.304501      16.12977 
1 1 1 -13 32  17 o 29.189  9.1665  114.820    72.317   51.031     160.283  131.124    81.034   29.335  12.579  30.973  9.6995  -1.637915      15.88462 
1 1 1 -13 32  18 o 88.250  6.5129  1000.08    138.476  863.479    242.633  1066.07    168.637  75.307  13.787  90.080  7.7922  -14.77290      15.83623 
1 1 1 -13 32  19 o 51.674  6.1103  344.250    75.129   324.630    102.375  367.148    110.598  48.563  9.0202  51.619  9.1660  -3.056309      12.86003 
1 1 1 -13 32  20 o 13.187  6.2489  -56.9437   53.463   -107.9439  78.426   -12.6692   73.072   14.884  7.1876  18.372  8.1678  -3.487628      10.88000 
1 1 1 -13 32  21 o 61.095  5.4600  476.951    80.087   468.373    114.271  485.231    112.276  58.728  8.2464  60.044  7.8981  -1.315678      11.41850 
1 1 1 -13 32  22 o 37.640  7.8702  194.853    69.566   193.622    96.498   196.184    100.379  36.156  10.426  36.263  10.684  -0.1068535     14.92826 
1 1 1 -13 32  23 o 11.694  5.6818  -80.1031   50.916   -129.1402  69.519   -23.3617   74.781   12.907  6.3478  17.798  8.0580  -4.891177      10.25803 
1 1 1 -13 32  24 o 65.847  5.4007  557.730    85.528   532.845    117.952  585.320    124.199  62.343  7.9806  65.352  7.9995  -3.008499      11.29962 
1 1 1 -13 32  25 f 54.776  6.7297  400.510    87.562   385.584    112.850  423.090    138.804  51.682  9.3430  52.338  11.264  -0.6558914     14.63436 
1 1 1 -13 32  26 o 37.721  10.169  216.210    95.190   216.210    95.190   0.0000     0.0000   37.721  10.169  ?       ?       0.000000       10.16895 
1 1 1 -13 32  27 o 38.208  10.842  228.243    105.178  228.243    105.178  0.0000     0.0000   38.208  10.842  ?       ?       0.000000       10.84220 
1 1 1 -13 32  28 o 18.760  8.7176  -48.7103   95.632   -94.7766   106.659  140.144    215.958  18.230  8.6918  32.548  14.272  -14.31836      16.71066 
1 1 1 -13 32  29 o 21.159  9.4536  -2.7459    99.176   1.0355     110.707  -18.1139   223.181  22.298  9.9735  28.078  13.137  -5.780081      16.49385 
1 1 1 -13 32  30 o 69.155  8.1998  665.094    134.911  683.614    153.097  600.740    285.390  68.789  9.4199  50.553  18.210  18.23621       20.50248 
1 1 1 -13 32  31 o 24.635  9.3784  76.792     77.643   96.292     97.259   42.531     128.921  26.954  10.436  25.335  11.070  1.618727       15.21407 
1 1 1 -13 32  32 o 47.935  7.5015  318.320    84.389   298.138    103.299  358.815    146.326  44.428  9.8416  45.662  12.729  -1.233692      16.09028 
1 1 1 -13 32  33 o 66.499  13.027  759.857    202.680  0.0000     0.0000   759.857    202.680  ?       ?       66.499  13.027  0.000000       13.02722 
1 1 1 -13 33  1  o 101.006 4.1378  1252.94    101.410  1101.15    139.632  1422.37    147.523  93.813  6.1686  106.894 5.7084  -13.08157      8.404660 
1 1 1 -13 33  2  o 18.573  7.0580  31.942     43.925   14.254     56.737   58.405     69.396   18.530  7.6871  23.823  8.9111  -5.293310      11.76858 
1 1 1 -13 33  3  o 114.537 6.0472  1641.23    167.464  1659.22    208.706  1608.69    280.606  114.194 7.5753  110.001 10.646  4.192719       13.06643 
1 1 1 -13 33  4  o 28.880  8.4731  109.524    63.246   100.948    73.005   135.321    126.622  28.175  9.2448  33.252  12.107  -5.076725      15.23284 
1 1 1 -13 33  5  o 69.210  6.0612  603.456    100.761  549.584    121.267  723.584    181.087  65.235  7.8170  73.344  10.473  -8.109581      13.06857 
1 1 1 -13 33  6  o 57.931  6.3165  425.997    87.348   463.192    103.135  331.627    164.279  60.041  7.2244  47.651  13.560  12.38930       15.36451 
1 1 1 -13 33  7  f 86.109  5.9534  933.050    123.625  987.354    150.604  820.871    216.458  87.924  7.1205  76.723  12.022  11.20101       13.97280 
1 1 1 -13 33  8  o 48.533  6.8368  303.544    78.280   289.513    90.965   343.593    153.681  46.748  8.3247  48.603  12.840  -1.855736      15.30208 
1 1 1 -13 33  9  o 62.088  4.4797  479.292    67.034   482.100    91.907   476.101    97.986   61.583  6.2366  60.968  6.7361  0.6151733      9.179933 
1 1 1 -13 33  10 o 34.779  6.9265  158.645    56.397   181.174    82.000   138.422    77.690   36.412  9.2601  31.954  9.3954  4.457724       13.19178 
1 1 1 -13 33  11 o 13.767  6.3003  -28.7864   47.288   -70.3709   77.000   -3.6063    59.918   16.280  7.6484  17.449  7.5873  -1.169172      10.77334 
1 1 1 -13 33  12 o 14.390  6.4443  -16.8591   46.373   1.9328     72.726   -29.7340   60.198   19.481  8.4147  15.817  7.1883  3.663528       11.06698 
1 1 1 -13 33  13 o 46.963  7.0584  287.445    77.943   266.364    163.084  293.685    88.734   42.119  13.817  47.006  8.0705  -4.886971      16.00160 
1 1 1 -13 33  14 o 36.316  8.6779  180.017    75.423   55.086     162.650  214.240    85.130   29.749  12.712  39.507  9.0720  -9.758167      15.61726 
1 1 1 -13 33  15 o 33.209  8.8786  151.693    72.924   17.208     161.378  186.201    81.747   27.916  12.287  36.667  9.2026  -8.751530      15.35115 
1 1 1 -13 33  16 o 24.246  8.8056  69.783     66.923   46.151     158.338  74.923     73.843   28.802  12.428  25.149  9.2319  3.652655       15.48206 
1 1 1 -13 33  17 o 76.271  6.4657  750.226    118.531  1006.07    218.077  642.954    141.210  84.106  10.945  69.024  8.6193  15.08138       13.93181 
1 1 1 -13 33  18 o 27.221  7.8739  100.742    54.963   105.045    85.331   97.691     71.855   28.201  9.9787  27.094  9.1782  1.107132       13.55778 
1 1 1 -13 33  19 o 37.570  7.2173  189.913    63.403   185.020    97.858   193.453    83.237   35.485  10.573  36.863  9.3050  -1.378258      14.08440 
1 1 1 -13 33  20 o 41.566  6.7730  229.884    65.957   171.018    95.355   283.885    91.330   34.042  10.499  45.130  8.6552  -11.08815      13.60669 
1 1 1 -13 33  21 o 56.774  5.7237  416.969    77.773   448.839    114.015  389.237    106.358  56.914  8.5181  52.897  8.5805  4.016262       12.09059 
1 1 1 -13 33  22 f 37.032  7.6595  189.623    66.553   141.053    90.499   246.827    98.213   30.952  10.300  40.766  10.004  -9.814047      14.35828 
1 1 1 -13 33  23 o 18.430  7.6530  21.773     56.310   73.164     78.556   -32.5398   80.759   24.517  9.4095  17.909  8.2097  6.608107       12.48752 
1 1 1 -13 33  24 o 21.118  8.6532  38.492     70.723   64.129     88.127   -7.8892    118.536  24.254  9.7612  22.477  10.164  1.776621       14.09182 
1 1 1 -13 33  25 o 25.988  9.7412  90.201     83.013   90.201     83.013   0.0000     0.0000   25.988  9.7412  ?       ?       0.000000       9.741230 
1 1 1 -13 33  26 o 33.046  10.353  168.305    92.308   168.305    92.308   0.0000     0.0000   33.046  10.353  ?       ?       0.000000       10.35281 
1 1 1 -13 33  27 o 33.350  11.290  176.501    108.717  128.943    122.517  352.665    235.799  29.842  11.669  40.819  16.118  -10.97625      19.89883 
1 1 1 -13 33  28 o 24.427  10.246  54.638     102.431  7.3161     114.387  246.176    230.130  22.773  10.165  36.449  15.327  -13.67613      18.39180 
1 1 1 -13 33  29 f 38.627  10.704  233.763    103.794  209.697    114.337  346.513    247.478  35.937  11.553  40.190  16.293  -4.253246      19.97376 
1 1 1 -13 33  30 o 60.548  6.7491  493.708    97.467   617.713    131.053  340.223    145.801  66.144  8.3518  44.326  12.825  21.81874       15.30471 
1 1 1 -13 33  31 f 37.803  9.0898  213.249    82.351   230.660    106.661  187.551    129.580  37.700  10.987  33.308  12.229  4.392899       16.43972 
1 1 1 -13 33  32 o 44.044  13.708  371.311    162.142  0.0000     0.0000   371.311    162.142  ?       ?       44.044  13.708  0.000000       13.70838 
1 1 1 -13 34  1  o 37.615  7.8645  186.487    69.469   175.178    80.708   218.821    136.473  36.068  9.1946  39.646  12.609  -3.577835      15.60572 
1 1 1 -13 34  2  o 56.361  6.4037  403.664    86.020   416.245    100.198  368.404    167.741  56.805  7.4491  50.326  13.470  6.478157       15.39278 
1 1 1 -13 34  3  o 45.280  7.0199  265.023    74.629   182.713    86.582   502.927    147.198  36.633  9.6180  60.900  10.331  -24.26710      14.11474 
1 1 1 -13 34  4  o 48.729  6.7544  305.276    77.714   335.411    90.592   221.300    151.226  50.762  7.5879  39.590  13.315  11.17178       15.32570 
1 1 1 -13 34  5  o 25.317  8.4665  80.369     61.137   107.365    69.731   -9.3420    127.117  28.588  9.0050  24.594  10.861  3.993303       14.10863 
1 1 1 -13 34  6  o 59.157  4.5062  435.550    64.195   420.264    89.531   451.723    92.093   57.311  6.5563  59.471  6.4873  -2.159973      9.223340 
1 1 1 -13 34  7  o 60.823  5.1885  464.323    75.839   573.187    116.085  383.260    100.172  66.595  7.3039  54.052  7.8687  12.54303       10.73613 
1 1 1 -13 34  8  o 12.166  5.7972  -57.9353   47.304   -49.3712   78.584   -62.8020   59.239   17.412  8.0248  13.976  6.6094  3.436477       10.39626 
1 1 1 -13 34  9  o 46.291  6.0769  274.340    66.608   276.272    94.721   272.451    93.683   45.168  8.9590  44.867  8.9196  0.3013725      12.64211 
1 1 1 -13 34  10 o 16.725  7.1918  1.2397     52.649   45.523     77.729   -36.2985   71.565   23.104  9.2126  17.082  7.7918  6.021580       12.06588 
1 1 1 -13 34  11 o 15.507  6.8269  -9.0210    49.849   -40.8233   76.924   14.003     65.452   17.552  8.0337  19.385  8.1640  -1.832962      11.45388 
1 1 1 -13 34  12 o 45.061  7.9154  270.641    83.386   240.215    168.438  280.518    95.971   40.038  14.033  45.311  9.0460  -5.272701      16.69582 
1 1 1 -13 34  13 o 57.550  6.9746  430.979    95.405   176.643    186.280  521.415    111.079  36.382  14.339  63.114  7.3935  -26.73148      16.13294 
1 1 1 -13 34  14 o 24.869  8.9649  75.045     69.180   161.170    157.421  54.432     77.015   34.611  13.311  23.563  9.2411  11.04736       16.20467 
1 1 1 -13 34  15 o 66.703  6.8892  579.884    109.896  557.351    206.174  588.826    129.885  58.827  14.530  66.258  8.2583  -7.431137      16.71276 
1 1 1 -13 34  16 o 14.908  6.7126  -18.8421   51.077   56.311     83.347   -64.0390   64.636   24.023  9.5521  14.607  6.9066  9.415752       11.78745 
1 1 1 -13 34  17 o 30.476  8.1016  128.616    60.940   103.111    91.940   148.603    81.387   28.101  10.303  32.242  9.6503  -4.140720      14.11697 
1 1 1 -13 34  18 o 32.932  7.9714  150.498    63.012   178.934    95.003   128.163    84.198   34.781  10.430  30.043  9.9316  4.737860       14.40219 
1 1 1 -13 34  19 o 59.190  5.4971  450.910    78.046   491.290    112.280  413.161    108.561  60.069  7.8947  54.595  8.4696  5.474140       11.57840 
1 1 1 -13 34  20 o 18.993  7.5590  32.409     52.238   -57.2906   88.875   79.755     64.570   17.810  8.3188  24.598  8.6829  -6.787506      12.02474 
1 1 1 -13 34  21 o 22.861  8.2924  66.142     59.323   52.585     89.335   76.836     79.342   23.603  9.7046  24.853  9.4760  -1.250381      13.56369 
1 1 1 -13 34  22 o 22.028  8.4525  56.128     63.382   46.156     101.899  62.421     80.946   23.909  10.134  23.666  9.4125  0.2436104      13.83098 
1 1 1 -13 34  23 o 32.064  9.7845  155.671    83.076   126.995    107.333  198.522    131.204  29.383  11.064  34.518  12.356  -5.134941      16.58615 
1 1 1 -13 34  24 o 16.728  7.7802  -44.2378   76.438   -44.2378   76.438   0.0000     0.0000   16.728  7.7802  ?       ?       0.000000       7.780152 
1 1 1 -13 34  25 o 11.570  5.7798  -161.7937  66.828   -161.7937  66.828   0.0000     0.0000   11.570  5.7798  ?       ?       0.000000       5.779773 
1 1 1 -13 34  26 o 17.424  8.0692  -40.2795   80.885   -5.2322    85.156   -363.5934  258.643  19.578  8.7527  23.221  11.563  -3.642563      14.50220 
1 1 1 -13 34  27 o 27.417  10.740  101.430    103.938  41.271     115.688  353.272    236.704  24.379  10.572  40.470  16.096  -16.09083      19.25701 
1 1 1 -13 34  28 o 37.992  9.4338  216.611    86.566   192.102    113.102  251.277    134.509  34.294  11.515  38.122  12.551  -3.828293      17.03295 
1 1 1 -13 34  29 o 47.141  8.0123  314.677    88.368   300.606    117.639  332.899    133.870  43.125  11.157  44.396  12.098  -1.270061      16.45719 
1 1 1 -13 34  30 o 49.034  8.0459  343.064    92.406   404.976    120.780  255.669    143.500  51.291  10.064  37.294  12.959  13.99670       16.40819 
1 1 1 -13 35  1  o 48.346  6.7841  301.066    77.392   338.964    90.100   194.422    151.141  51.038  7.4992  37.633  13.284  13.40477       15.25486 
1 1 1 -13 35  2  o 43.465  7.1800  246.260    73.078   245.617    84.316   248.200    146.510  42.896  8.4014  41.364  13.055  1.532093       15.52495 
1 1 1 -13 35  3  o 47.646  6.8981  293.831    77.428   196.187    89.754   577.907    153.091  37.724  9.7388  65.242  9.9886  -27.51811      13.95050 
1 1 1 -13 35  4  o 88.095  4.2554  959.493    90.961   827.992    125.548  1104.79    131.969  80.627  6.4720  93.598  5.8401  -12.97054      8.717410 
1 1 1 -13 35  5  o 114.407 4.5024  1622.72    124.987  1568.92    175.680  1677.86    177.857  111.008 6.5513  114.929 6.4033  -3.920296      9.160944 
1 1 1 -13 35  6  o 41.165  6.7222  220.511    64.827   207.656    98.818   230.223    85.892   38.456  10.358  41.155  8.8634  -2.698669      13.63284 
1 1 1 -13 35  7  o 21.686  8.0187  51.271     55.874   82.884     89.678   31.212     71.434   26.945  10.120  21.373  8.7200  5.572573       13.35858 
1 1 1 -13 35  8  o 41.032  6.6634  219.287    64.065   220.197    90.297   218.365    90.910   39.886  9.4713  39.679  9.5563  0.2064362      13.45465 
1 1 1 -13 35  9  o 36.207  7.2209  173.880    61.212   106.416    86.167   242.611    86.973   28.718  10.038  42.195  8.7806  -13.47769      13.33677 
1 1 1 -13 35  10 o 56.768  6.7943  417.884    91.728   616.914    174.614  342.026    107.801  65.761  11.354  49.967  9.2315  15.79389       14.63298 
1 1 1 -13 35  11 o 17.799  7.7973  -5.4843    64.319   -67.7315   140.865  10.911     72.295   23.061  10.669  19.878  8.4841  3.183527       13.63084 
1 1 1 -13 35  12 o 61.393  7.0896  493.011    103.668  342.339    193.480  553.687    122.780  45.573  15.055  64.473  8.0219  -18.90008      17.05861 
1 1 1 -13 35  13 o 62.856  6.8780  515.990    103.188  369.997    197.858  570.533    120.937  46.825  15.212  65.515  7.7584  -18.68946      17.07660 
1 1 1 -13 35  14 o 45.967  8.0516  286.960    86.530   298.087    179.798  283.607    98.713   42.390  14.518  44.882  9.3671  -2.492489      17.27729 
1 1 1 -13 35  15 o 28.579  8.2526  113.068    60.425   118.611    94.533   109.239    78.571   29.441  10.494  28.246  9.5973  1.195126       14.22074 
1 1 1 -13 35  16 o 34.095  7.5253  159.370    60.589   77.082     92.202   221.912    80.381   25.889  10.123  39.781  8.5798  -13.89173      13.26974 
1 1 1 -13 35  17 o 68.099  5.0834  591.415    83.390   585.303    120.780  596.983    115.275  65.736  7.7192  66.815  7.2256  -1.078888      10.57333 
1 1 1 -13 35  18 o 17.288  7.2742  13.970     51.884   -4.2435    87.447   23.865     64.454   20.104  8.9366  19.522  8.1538  0.5819931      12.09745 
1 1 1 -13 35  19 o 48.765  6.0549  313.283    70.102   360.176    103.802  273.962    95.053   50.264  8.8335  43.328  9.3180  6.935574       12.83964 
1 1 1 -13 35  20 o 50.611  5.9827  337.783    72.048   241.620    104.247  425.719    99.688   39.359  10.655  55.621  7.5842  -16.26196      13.07845 
1 1 1 -13 35  21 o 18.408  7.8631  14.807     62.187   46.927     90.379   -14.0729   85.699   23.050  9.6438  19.175  8.6588  3.875420       12.96064 
1 1 1 -13 35  22 o 31.907  8.5202  148.985    67.204   173.980    89.778   117.129    101.353  33.451  10.164  28.368  10.735  5.082317       14.78332 
1 1 1 -13 35  23 o 24.348  9.7523  69.819     87.506   69.819     87.506   0.0000     0.0000   24.348  9.7523  ?       ?       0.000000       9.752255 
1 1 1 -13 35  24 o 33.991  11.304  188.690    109.017  188.690    109.017  0.0000     0.0000   33.991  11.304  ?       ?       0.000000       11.30413 
1 1 1 -13 35  25 o 34.392  10.768  188.807    99.871   226.523    106.946  -68.2823   279.217  37.445  11.027  28.334  13.653  9.111586       17.54983 
1 1 1 -13 35  26 o 38.314  10.269  229.019    97.405   254.479    103.602  35.111     285.915  40.246  10.499  30.477  14.445  9.769053       17.85714 
1 1 1 -13 35  27 o 24.512  9.2714  79.250     75.570   65.745     95.821   101.470    122.913  24.440  10.050  27.739  11.392  -3.298698      15.19120 
1 1 1 -13 35  28 o 29.110  9.6818  129.367    79.971   144.758    101.504  104.177    129.854  30.224  10.863  27.888  11.604  2.335640       15.89561 
1 1 1 -13 35  29 o 31.927  11.908  175.565    123.740  362.211    240.700  108.519    144.263  38.514  15.894  28.145  11.998  10.36887       19.91373 
1 1 1 -13 36  1  o 30.281  6.9589  121.349    50.058   139.311    65.708   96.507     77.276   32.098  8.3554  27.578  9.5139  4.520035       12.66209 
1 1 1 -13 36  2  o 39.770  6.5419  205.477    60.933   177.181    91.743   227.811    81.507   35.643  10.130  41.105  8.4543  -5.462692      13.19455 
1 1 1 -13 36  3  o 69.922  5.0464  613.160    85.042   637.691    119.478  587.969    121.073  70.216  7.1108  67.130  7.5649  3.086281       10.38229 
1 1 1 -13 36  4  o 59.925  5.5668  454.685    80.017   412.716    116.370  492.323    110.203  55.287  8.9830  61.337  7.5650  -6.049080      11.74411 
1 1 1 -13 36  5  o 34.779  8.0471  163.430    66.561   137.461    98.789   185.021    90.077   31.832  10.762  36.344  9.9317  -4.512453      14.64431 
1 1 1 -13 36  6  o 27.751  8.2747  103.327    59.923   72.179     91.759   126.487    79.124   26.128  10.131  30.467  9.5915  -4.339640      13.95117 
1 1 1 -13 36  7  o 31.079  7.9819  130.993    60.507   149.771    93.416   117.421    79.417   32.780  10.433  29.512  9.6402  3.267561       14.20505 
1 1 1 -13 36  8  o 87.463  6.3253  979.802    133.332  1184.68    230.145  876.301    163.580  92.217  10.471  81.056  8.4411  11.16026       13.44985 
1 1 1 -13 36  9  o 42.883  8.4166  250.418    84.450   136.274    164.064  291.562    98.501   33.337  13.353  45.926  9.1604  -12.58907      16.19319 
1 1 1 -13 36  10 o 59.074  7.1626  458.478    100.568  440.236    187.012  465.900    119.285  52.173  14.332  58.576  8.6532  -6.402901      16.74204 
1 1 1 -13 36  11 o 33.306  9.0781  155.896    75.372   235.826    162.201  133.884    85.120   38.805  13.755  30.901  9.9722  7.903902       16.98948 
1 1 1 -13 36  12 o 36.605  7.5504  181.886    64.835   192.106    88.677   170.149    95.034   36.512  9.8031  34.176  10.472  2.336681       14.34411 
1 1 1 -13 36  13 o 15.674  6.9724  -11.6496   53.322   -33.1633   83.655   3.0722     69.201   18.445  8.4175  18.759  8.1553  -0.3139515     11.72020 
1 1 1 -13 36  14 o 73.627  5.0010  688.727    88.812   689.005    127.833  688.467    123.479  71.730  7.4536  71.951  7.1682  -0.2212372     10.34119 
1 1 1 -13 36  15 f 35.931  7.6906  178.561    65.024   233.669    96.556   132.826    87.961   39.694  10.023  30.262  10.155  9.432306       14.26855 
1 1 1 -13 36  16 o 74.801  5.0236  714.565    90.648   723.380    131.239  706.523    125.355  73.085  7.5074  72.499  7.2221  0.5857849      10.41729 
1 1 1 -13 36  17 o 29.505  8.1405  124.022    60.178   183.490    93.275   81.621     78.762   34.620  10.324  25.177  9.4785  9.443268       14.01527 
1 1 1 -13 36  18 f 28.792  8.1943  118.959    59.987   203.887    95.243   63.120     77.229   36.291  10.324  23.440  9.2344  12.85095       13.85145 
1 1 1 -13 36  19 o 29.245  8.7528  125.576    66.954   165.632    90.188   76.392     99.937   32.654  10.234  25.460  10.342  7.193909       14.54973 
1 1 1 -13 36  20 o 45.068  6.9608  278.380    73.666   288.704    102.107  267.173    106.384  43.467  9.9023  41.094  10.600  2.373787       14.50550 
1 1 1 -13 36  21 o 15.685  7.1711  -24.2691   61.061   26.406     88.963   -69.4046   83.960   21.510  9.2989  16.479  7.8152  5.031227       12.14690 
1 1 1 -13 36  22 o 24.733  9.7617  77.226     86.448   77.226     86.448   0.0000     0.0000   24.733  9.7617  ?       ?       0.000000       9.761708 
1 1 1 -13 36  23 o 17.232  8.0094  -41.7621   80.799   -41.7621   80.799   0.0000     0.0000   17.232  8.0094  ?       ?       0.000000       8.009377 
1 1 1 -13 36  24 o 52.643  9.7333  417.256    119.748  372.196    130.195  664.720    305.108  47.860  11.378  49.269  18.631  -1.408352      21.83047 
1 1 1 -13 36  25 f 28.489  9.1646  121.191    71.935   16.737     91.894   286.487    115.600  21.184  9.2990  41.892  11.169  -20.70883      14.53316 
1 1 1 -13 36  26 o 33.130  9.1082  166.375    75.492   110.426    96.374   255.220    121.445  27.466  10.450  38.544  11.842  -11.07776      15.79396 
1 1 1 -13 36  27 o 34.633  9.6632  187.829    84.284   204.159    104.263  157.032    143.181  34.930  11.012  30.697  12.411  4.233227       16.59222 
1 1 1 -13 36  28 o 29.780  11.474  148.478    117.116  126.247    211.390  158.324    140.680  29.669  13.478  30.325  12.288  -0.6558170     18.23860 
1 1 1 -13 37  1  o 65.249  5.1986  536.261    81.623   430.079    114.639  645.430    116.241  56.603  8.6191  70.695  6.8630  -14.09167      11.01775 
1 1 1 -13 37  2  f 56.250  5.6708  402.401    76.342   458.305    108.954  348.482    107.001  58.915  7.8145  50.573  9.0522  8.342369       11.95860 
1 1 1 -13 37  3  o 17.541  7.4974  5.3417     56.599   -9.6925    82.338   18.809     77.930   19.793  8.7410  21.061  8.8910  -1.267506      12.46815 
1 1 1 -13 37  4  o 39.139  7.1672  202.947    65.556   88.061     97.503   297.730    88.562   27.590  10.508  47.146  8.0294  -19.55648      13.22474 
1 1 1 -13 37  5  o 37.433  7.8069  189.011    68.613   108.656    102.518  254.209    92.345   29.352  10.860  42.852  9.1591  -13.49939      14.20667 
1 1 1 -13 37  6  o 34.229  9.4223  164.487    80.728   285.879    143.193  107.927    97.742   43.180  12.772  29.046  10.628  14.13476       16.61548 
1 1 1 -13 37  7  o 54.980  7.3187  399.147    95.208   158.651    177.487  496.307    112.812  34.713  13.894  61.075  7.7900  -26.36140      15.92896 
1 1 1 -13 37  8  o 41.646  8.6596  239.628    84.652   363.627    164.564  195.011    98.714   47.725  13.569  36.606  10.542  11.11840       17.18234 
1 1 1 -13 37  9  o 25.504  9.6483  76.638     81.850   0.0000     0.0000   76.638     81.850   ?       ?       25.504  9.6483  0.000000       9.648335 
1 1 1 -13 37  10 o 68.421  5.4384  597.804    89.542   600.294    119.956  594.670    134.562  67.108  7.4949  65.868  8.6269  1.239799       11.42790 
1 1 1 -13 37  11 o 46.228  6.3891  281.033    69.750   266.754    96.435   296.699    101.006  43.131  9.4737  45.576  9.4441  -2.444370      13.37695 
1 1 1 -13 37  12 o 18.178  7.4095  23.974     51.514   53.325     82.880   5.4975     65.759   23.441  9.4548  18.424  7.9796  5.017338       12.37209 
1 1 1 -13 37  13 o 17.174  7.3074  10.172     53.329   -82.1928   81.547   79.189     70.491   15.988  7.6168  24.782  9.0316  -8.793992      11.81465 
1 1 1 -13 37  14 o 71.343  5.2003  653.357    89.400   655.815    128.684  651.065    124.293  69.199  7.8001  69.217  7.5218  -0.1740265E-01 10.83602 
1 1 1 -13 37  15 o 59.108  5.6216  454.982    79.655   504.350    114.003  407.892    111.341  60.273  7.9923  53.344  8.9168  6.928982       11.97439 
1 1 1 -13 37  16 o 52.194  5.9110  359.241    73.539   301.846    107.709  409.359    100.650  44.445  10.203  54.168  7.8895  -9.723392      12.89781 
1 1 1 -13 37  17 o 16.451  7.0423  8.8190     50.079   -78.9177   82.224   60.557     63.141   15.969  7.6189  22.261  8.4615  -6.292090      11.38621 
1 1 1 -13 37  18 o 47.269  6.8255  305.342    76.016   247.096    106.615  365.568    108.412  39.088  10.855  49.513  9.3671  -10.42462      14.33758 
1 1 1 -13 37  19 o 17.025  7.4669  2.1573     59.132   -38.1177   82.859   43.960     84.415   17.575  8.1489  22.186  9.3037  -4.610777      12.36786 
1 1 1 -13 37  20 o 36.758  8.3589  197.908    72.868   259.781    104.204  138.700    101.936  40.251  10.544  29.666  10.853  10.58492       15.13152 
1 1 1 -13 37  21 o 30.973  11.613  157.451    117.987  157.451    117.987  0.0000     0.0000   30.973  11.613  ?       ?       0.000000       11.61265 
1 1 1 -13 37  22 o 31.690  11.061  164.015    104.601  164.015    104.601  0.0000     0.0000   31.690  11.061  ?       ?       0.000000       11.06116 
1 1 1 -13 37  23 o 21.648  9.2232  34.974     85.162   40.667     88.815   -30.0024   300.048  22.262  9.4500  28.983  14.011  -6.720303      16.90035 
1 1 1 -13 37  24 f 25.533  9.1011  93.568     71.105   62.721     90.463   143.431    115.016  23.746  9.7648  29.956  11.412  -6.210054      15.01957 
1 1 1 -13 37  25 o 70.803  5.8748  666.526    100.015  424.913    131.086  1003.11    154.720  51.335  10.863  84.511  7.6274  -33.17583      13.27324 
1 1 1 -13 37  26 o 53.015  9.5489  431.668    118.315  360.117    227.748  458.115    138.465  38.217  15.579  52.581  11.196  -14.36476      19.18462 
1 1 1 -13 37  27 o 28.282  10.954  131.365    107.167  497.850    204.239  -7.8726    125.889  46.093  15.474  21.859  10.103  24.23409       18.48053 
1 1 1 -13 38  1  o 99.968  4.6637  1247.05    113.124  1292.22    156.333  1197.41    163.899  100.323 6.4566  96.024  7.0845  4.298813       9.585283 
1 1 1 -13 38  2  o 44.923  6.4853  262.934    68.644   307.517    96.629   217.514    97.533   47.440  8.7157  38.992  10.194  8.447956       13.41204 
1 1 1 -13 38  3  o 31.108  9.5323  134.876    78.749   99.462     145.082  149.668    93.763   30.486  12.431  32.543  10.462  -2.057020      16.24816 
1 1 1 -13 38  4  o 34.363  9.4038  166.742    80.688   170.345    142.984  165.058    97.738   34.566  12.818  33.879  10.659  0.6877098      16.67121 
1 1 1 -13 38  5  o 21.810  8.7804  40.408     71.332   38.074     130.013  41.413     85.319   26.269  11.299  23.101  9.4895  3.167181       14.75515 
1 1 1 -13 38  6  o 33.363  9.6563  159.063    82.641   136.640    153.822  168.161    97.983   32.496  12.959  33.976  10.670  -1.480186      16.78651 
1 1 1 -13 38  7  o 40.252  9.0940  228.967    86.725   203.638    155.597  240.382    104.454  36.319  13.391  40.352  10.550  -4.032936      17.04709 
1 1 1 -13 38  8  o 20.899  7.9089  47.755     55.009   51.374     76.620   43.904     79.025   22.942  9.1471  22.562  9.1846  0.3799896      12.96245 
1 1 1 -13 38  9  o 22.966  8.0611  67.179     55.592   48.411     79.234   85.374     78.018   22.831  9.2320  25.804  9.4867  -2.972807      13.23731 
1 1 1 -13 38  10 f 30.509  8.1607  131.195    61.590   94.998     90.087   162.962    84.394   26.984  10.141  33.238  9.7979  -6.254560      14.10122 
1 1 1 -13 38  11 o 24.809  8.2054  83.966     57.469   33.151     82.029   132.953    80.540   21.794  9.1569  30.150  9.6971  -8.355600      13.33728 
1 1 1 -13 38  12 o 22.402  8.1957  62.719     58.125   60.663     87.461   64.345     77.789   23.988  9.6996  23.683  9.2876  0.3055782      13.42916 
1 1 1 -13 38  13 o 35.105  7.7177  173.493    63.948   211.196    93.492   140.347    87.661   37.119  10.108  30.488  10.137  6.630756       14.31491 
1 1 1 -13 38  14 o 73.026  5.2472  690.012    92.356   734.425    132.063  647.501    129.206  72.989  7.5669  68.069  7.9741  4.920425       10.99290 
1 1 1 -13 38  15 o 37.749  7.3055  199.147    64.496   52.656     95.755   320.793    87.258   23.577  9.8991  47.726  7.8048  -24.14919      12.60586 
1 1 1 -13 38  16 o 31.711  9.1789  152.874    74.669   131.141    102.546  177.402    108.940  29.122  10.844  32.715  11.296  -3.592417      15.65855 
1 1 1 -13 38  17 o 36.241  8.8441  197.023    77.087   229.541    105.303  159.476    113.154  37.268  10.933  31.079  11.425  6.189280       15.81331 
1 1 1 -13 38  18 o 16.937  7.5513  -5.2081    62.918   -8.2405    82.193   -0.9163    97.783   18.837  8.4955  20.579  9.2751  -1.742184      12.57783 
1 1 1 -13 38  19 o 42.091  8.4420  260.089    83.218   253.788    127.138  264.812    110.073  37.675  12.190  39.933  11.006  -2.258076      16.42399 
1 1 1 -13 38  20 o 15.038  7.3272  -118.0190  86.327   -118.0190  86.327   0.0000     0.0000   15.038  7.3272  ?       ?       0.000000       7.327176 
1 1 1 -13 38  21 o 51.925  11.035  436.650    134.748  436.650    134.748  0.0000     0.0000   51.925  11.035  ?       ?       0.000000       11.03525 
1 1 1 -13 38  22 o 26.781  9.0586  106.823    69.994   118.849    88.352   86.556     114.698  27.887  10.119  26.174  10.900  1.712912       14.87298 
1 1 1 -13 38  23 o 20.602  8.4377  41.524     67.203   113.680    85.141   -77.7257   109.454  27.340  9.9317  18.552  8.8345  8.787569       13.29230 
1 1 1 -13 38  24 o 13.516  6.5068  -74.1443   63.059   -44.2933   77.201   -133.9851  109.305  16.499  7.7216  16.857  8.2203  -0.3577099     11.27816 
1 1 1 -13 38  25 o 44.014  11.334  334.812    121.771  426.464    225.327  297.002    144.725  40.431  15.821  38.670  13.026  1.761421       20.49304 
1 1 1 -13 39  1  o 26.170  9.1724  88.574     71.964   395.935    143.390  -14.9070   83.200   51.440  11.746  19.434  8.6725  32.00651       14.60090 
1 1 1 -13 39  2  o 36.631  9.1391  189.531    80.963   101.204    141.801  232.253    98.619   30.137  12.290  40.046  10.139  -9.908264      15.93248 
1 1 1 -13 39  3  o 41.704  8.7180  242.262    85.379   178.859    149.790  272.773    103.911  34.816  13.078  43.448  10.056  -8.631077      16.49734 
1 1 1 -13 39  4  o 57.529  7.5735  443.705    103.147  406.411    172.038  464.634    128.880  49.697  13.784  57.331  9.6045  -7.633190      16.80037 
1 1 1 -13 39  5  o 19.454  8.3379  12.005     70.353   105.733    129.006  -27.6688   83.932   29.510  11.834  18.710  8.4970  10.80021       14.56816 
1 1 1 -13 39  6  o 40.960  7.2980  227.284    69.873   260.851    104.913  200.526    93.670   41.876  10.378  36.769  10.161  5.107487       14.52398 
1 1 1 -13 39  7  o 22.923  8.4326  64.362     61.655   -23.0345   94.803   128.422    81.165   19.961  9.0518  29.834  9.7458  -9.873184      13.30094 
1 1 1 -13 39  8  o 18.615  7.8119  19.166     59.584   0.0473     84.404   38.159     84.125   20.013  8.8434  22.314  9.3172  -2.301035      12.84580 
1 1 1 -13 39  9  o 63.015  5.3774  512.859    81.433   496.414    109.940  532.850    121.211  60.147  7.7107  61.802  8.2922  -1.655106      11.32318 
1 1 1 -13 39  10 o 48.729  6.3686  316.599    73.500   300.088    103.560  333.357    104.333  44.816  9.7967  47.711  9.3467  -2.894753      13.54017 
1 1 1 -13 39  11 o 21.300  7.9439  55.102     55.071   -59.7692   79.474   161.209    76.383   16.419  7.7313  32.848  9.2112  -16.42882      12.02574 
1 1 1 -13 39  12 o 31.834  8.0017  146.100    61.737   129.602    90.850   160.255    84.151   29.210  10.301  32.240  9.8497  -3.030842      14.25197 
1 1 1 -13 39  13 f 20.236  7.9729  44.032     57.572   80.985     87.234   15.515     76.632   25.001  9.8255  19.756  8.5855  5.244537       13.04799 
1 1 1 -13 39  14 o 20.010  8.4050  30.587     69.080   53.342     94.677   4.6825     101.017  23.342  9.8240  21.141  9.4864  2.200844       13.65664 
1 1 1 -13 39  15 o 57.004  6.3016  439.082    85.702   401.499    115.493  485.138    127.850  51.220  9.6468  56.336  9.7031  -5.115932      13.68248 
1 1 1 -13 39  16 o 23.488  8.8837  74.222     69.380   102.029    92.815   39.008     104.449  26.437  10.206  22.926  9.9925  3.511393       14.28352 
1 1 1 -13 39  17 o 30.466  9.3520  144.786    75.759   190.278    103.518  92.321     111.169  33.501  11.009  26.200  10.805  7.301291       15.42597 
1 1 1 -13 39  18 o 37.013  11.301  235.743    110.801  276.473    123.254  64.191     252.953  39.502  11.888  28.955  13.682  10.54668       18.12529 
1 1 1 -13 39  19 o 29.136  11.099  136.955    108.793  136.955    108.793  0.0000     0.0000   29.136  11.099  ?       ?       0.000000       11.09924 
1 1 1 -13 39  20 o 29.535  11.461  142.350    117.515  142.350    117.515  0.0000     0.0000   29.535  11.461  ?       ?       0.000000       11.46147 
1 1 1 -13 39  21 o 17.173  7.7196  -8.2607    67.215   47.414     91.006   -75.0807   99.700   22.543  9.5674  17.690  8.4261  4.852903       12.74891 
1 1 1 -13 39  22 o 25.162  9.1727  92.835     72.717   48.633     94.351   157.503    114.122  22.716  9.6939  30.351  11.413  -7.634989      14.97408 
1 1 1 -13 39  23 o 25.810  10.340  97.167     98.398   -17.3610   187.272  140.843    115.648  24.575  11.660  28.911  11.328  -4.336008      16.25662 
1 1 1 -13 39  24 o 73.510  9.0025  828.360    157.217  849.608    275.918  818.145    191.312  54.783  17.972  67.944  12.045  -13.16154      21.63569 
1 1 1 -13 40  1  o 25.365  9.0279  83.259     69.941   90.507     144.413  81.038     79.942   29.332  12.224  25.609  9.5672  3.722370       15.52288 
1 1 1 -13 40  2  o 72.019  6.6247  680.922    114.468  608.099    206.555  713.200    137.516  60.187  14.347  72.557  7.9407  -12.36993      16.39771 
1 1 1 -13 40  3  o 16.477  7.3088  -9.1200    58.189   13.050     92.947   -23.4101   74.622   21.670  9.4363  17.763  8.0452  3.906977       12.40034 
1 1 1 -13 40  4  o 72.263  5.2206  668.485    90.923   775.926    129.769  564.880    127.431  76.249  7.0955  63.817  8.4364  12.43264       11.02354 
1 1 1 -13 40  5  o 67.240  5.3828  582.354    87.085   654.140    126.605  517.889    119.976  69.317  7.6552  61.035  8.3178  8.281757       11.30429 
1 1 1 -13 40  6  o 22.645  8.4696  62.498     62.689   48.265     93.757   74.006     84.305   23.574  9.8391  24.823  9.6870  -1.249647      13.80742 
1 1 1 -13 40  7  o 22.379  8.5681  59.008     65.036   112.452    99.287   18.843     86.073   28.217  10.638  21.075  9.1286  7.141954       14.01787 
1 1 1 -13 40  8  o 75.402  5.0853  732.032    92.494   651.023    124.764  830.885    137.822  68.711  7.6113  77.962  7.3732  -9.251396      10.59702 
1 1 1 -13 40  9  o 27.086  8.6188  106.521    63.755   141.220    90.204   71.885     90.123   30.270  10.283  24.608  9.8826  5.661940       14.26227 
1 1 1 -13 40  10 o 36.432  7.8042  189.658    66.910   305.329    90.685   51.444     99.128   45.935  8.4475  23.635  10.005  22.30010       13.09462 
1 1 1 -13 40  11 o 16.029  7.0834  -2.7411    54.157   8.5041     81.438   -11.6571   72.515   19.711  8.6995  17.695  7.9800  2.016066       11.80514 
1 1 1 -13 40  12 o 22.526  8.7954  62.792     69.530   64.305     91.387   60.711     107.143  23.756  9.7971  24.317  10.352  -0.5614853     14.25323 
1 1 1 -13 40  13 o 18.609  8.0247  16.675     65.923   66.708     87.533   -48.8894   100.203  23.630  9.6482  18.661  8.7534  4.969154       13.02726 
1 1 1 -13 40  14 o 47.143  7.3974  315.053    81.832   333.466    111.285  293.374    120.750  45.528  10.313  40.970  11.614  4.558041       15.53200 
1 1 1 -13 40  15 o 12.350  6.0538  -101.0754  61.570   -152.8676  81.003   -30.2108   94.751   13.408  6.6414  18.817  8.7208  -5.409078      10.96181 
1 1 1 -13 40  16 f 33.686  11.142  196.926    105.973  243.842    117.362  -10.2354   246.613  36.924  11.688  26.912  12.934  10.01178       17.43272 
1 1 1 -13 40  17 o 31.382  11.257  170.197    108.942  244.501    119.123  -209.6132  269.321  36.866  11.787  24.433  12.104  12.43262       16.89474 
1 1 1 -13 40  18 o 29.407  10.998  143.060    105.704  122.712    116.897  234.313    247.553  28.026  11.255  32.982  14.821  -4.956301      18.61058 
1 1 1 -13 40  19 o 19.903  8.8678  8.3364     86.619   8.3364     86.619   0.0000     0.0000   19.903  8.8678  ?       ?       0.000000       8.867809 
1 1 1 -13 40  20 o 19.058  8.2156  20.628     69.049   -63.5135   88.058   154.950    111.260  16.837  7.9905  30.061  11.276  -13.22370      13.81979 
1 1 1 -13 40  21 o 22.157  8.7340  62.563     69.123   130.124    91.620   -26.7036   105.314  28.209  10.294  19.683  9.1472  8.525469       13.77099 
1 1 1 -13 40  22 o 27.613  11.016  127.131    111.176  157.023    218.253  116.656    129.195  29.458  13.501  27.139  11.452  2.319374       17.70369 
1 1 1 -13 40  23 o 57.608  9.9257  541.640    133.733  271.363    250.275  649.651    158.214  31.740  14.514  61.386  11.027  -29.64552      18.22813 
1 1 1 -13 41  1  o 27.818  8.1714  108.974    58.791   98.784     95.754   115.140    74.483   27.380  10.417  28.399  9.3389  -1.018396      13.99031 
1 1 1 -13 41  2  o 41.040  7.2791  230.469    69.831   248.185    105.642  216.722    93.061   40.146  10.664  37.965  9.9733  2.181473       14.60121 
1 1 1 -13 41  3  o 20.543  8.0114  44.644     57.635   111.516    92.485   2.1860     73.694   28.078  10.328  18.917  8.3151  9.161533       13.25927 
1 1 1 -13 41  4  o 21.898  8.3648  56.265     61.898   -33.2060   97.872   115.908    79.909   19.539  8.9867  28.195  9.6777  -8.655956      13.20676 
1 1 1 -13 41  5  o 19.593  8.0276  32.026     60.859   96.540     95.138   -12.6583   79.179   26.717  10.328  18.549  8.3546  8.167082       13.28404 
1 1 1 -13 41  6  o 31.599  8.4305  146.266    65.835   155.067    98.072   139.046    88.823   31.341  10.722  30.062  10.204  1.278145       14.80172 
1 1 1 -13 41  7  o 48.927  6.6582  325.637    76.992   300.806    111.248  348.463    106.662  43.475  10.634  48.155  9.4660  -4.679981      14.23670 
1 1 1 -13 41  8  o 40.767  7.3770  233.826    70.285   342.031    98.586   121.985    100.229  48.229  8.7466  28.291  10.683  19.93789       13.80690 
1 1 1 -13 41  9  o 21.357  8.2373  55.423     60.413   139.997    82.885   -40.4304   88.239   29.820  9.8537  17.917  8.3418  11.90326       12.91051 
1 1 1 -13 41  10 f 35.559  8.5450  189.859    72.810   315.042    107.652  84.311     98.849   44.407  10.205  25.254  10.276  19.15258       14.48199 
1 1 1 -13 41  11 o 16.995  7.4840  3.1880     59.941   -113.3934  87.496   106.293    82.283   15.189  7.3954  26.445  9.7395  -11.25582      12.22911 
1 1 1 -13 41  12 o 29.072  8.7202  130.059    66.402   172.164    94.544   89.071     93.282   31.968  10.522  25.192  10.077  6.775608       14.56880 
1 1 1 -13 41  13 o 17.224  7.7640  -7.8053    68.544   -6.7122    93.515   -9.0745    100.763  19.630  8.9356  20.099  9.1976  -0.4693928     12.82341 
1 1 1 -13 41  14 o 40.074  11.500  284.901    117.670  276.332    132.474  316.942    256.163  38.010  12.452  34.739  15.376  3.271111       19.78573 
1 1 1 -13 41  15 o 41.948  11.018  301.091    113.584  320.647    126.292  218.329    259.808  42.204  11.847  31.877  14.654  10.32713       18.84416 
1 1 1 -13 41  16 o 15.417  7.4598  -96.7770   85.506   -57.1595   92.255   -338.1909  227.735  17.450  8.2510  20.911  10.479  -3.461052      13.33736 
1 1 1 -13 41  17 o 16.283  7.4642  -21.5034   66.761   -120.5718  91.681   90.331     97.409   15.381  7.5067  25.337  10.239  -9.955804      12.69626 
1 1 1 -13 41  18 o 23.987  10.010  70.764     97.035   70.764     97.035   0.0000     0.0000   23.987  10.010  ?       ?       0.000000       10.01047 
1 1 1 -13 41  19 o 16.022  7.3478  -20.7400   64.788   -76.9640   85.231   56.210     99.711   15.962  7.6534  23.121  9.9184  -7.159380      12.52796 
1 1 1 -13 41  20 o 45.913  10.915  363.019    119.808  144.322    225.842  448.670    141.335  28.993  13.447  49.858  11.856  -20.86553      17.92705 
1 1 1 -13 41  21 f 21.465  9.5361  32.750     99.436   386.872    207.925  -72.2523   113.222  37.381  15.011  18.398  8.8213  18.98331       17.41137 
1 1 1 -13 42  1  o 39.290  7.3953  214.609    67.914   199.371    103.512  226.126    89.991   35.308  10.947  38.709  9.6227  -3.400433      14.57513 
1 1 1 -13 42  2  o 50.325  6.1006  337.106    72.973   244.446    108.323  414.095    98.739   38.932  10.988  54.519  7.6767  -15.58680      13.40363 
1 1 1 -13 42  3  o 60.979  5.7879  490.537    84.611   551.833    128.546  443.680    112.391  61.629  8.8502  55.403  8.6426  6.226055       12.37012 
1 1 1 -13 42  4  o 55.256  6.0128  407.076    79.314   534.981    120.884  310.392    105.099  61.007  8.3882  44.855  9.9199  16.15197       12.99104 
1 1 1 -13 42  5  o 31.039  8.6193  144.372    67.226   114.468    102.614  166.857    88.980   27.703  10.721  32.300  10.172  -4.596949      14.77884 
1 1 1 -13 42  6  o 58.749  5.9422  461.717    83.541   515.386    120.222  411.603    116.172  59.279  8.6101  51.863  9.5847  7.415382       12.88410 
1 1 1 -13 42  7  o 29.057  8.9565  129.837    69.405   59.176     107.808  179.850    90.700   24.075  10.320  33.124  10.243  -9.049700      14.54068 
1 1 1 -13 42  8  o 31.786  8.7453  155.319    69.564   150.496    103.237  159.330    94.148   29.892  10.924  30.878  10.506  -0.9858456     15.15625 
1 1 1 -13 42  9  o 24.466  8.7177  88.077     65.236   49.964     91.542   127.406    92.990   22.472  9.5681  28.029  10.348  -5.556742      14.09396 
1 1 1 -13 42  10 o 19.402  8.0317  35.160     61.748   118.536    90.821   -36.5123   84.205   27.218  10.192  17.412  8.1209  9.805811       13.03147 
1 1 1 -13 42  11 o 18.867  7.9853  27.149     63.123   63.367     96.214   -0.2211    83.640   23.383  9.8757  19.002  8.5699  4.381048       13.07565 
1 1 1 -13 42  12 o 31.326  11.345  177.479    110.983  158.419    121.687  271.743    270.623  29.713  11.626  32.636  14.986  -2.923635      18.96678 
1 1 1 -13 42  13 o 48.593  10.410  389.613    119.041  386.775    132.644  401.360    269.857  46.489  11.753  36.354  15.948  10.13511       19.81030 
1 1 1 -13 42  14 f 20.904  9.3087  19.841     95.309   -32.8949   103.943  298.273    238.837  19.261  8.9964  33.968  14.949  -14.70733      17.44767 
1 1 1 -13 42  15 o 23.989  9.1115  82.863     73.178   86.093     100.797  79.264     106.410  24.966  10.292  24.726  10.411  0.2400131      14.63949 
1 1 1 -13 42  16 o 19.318  8.3084  25.180     70.290   5.4502     97.353   46.665     101.591  20.341  9.2032  22.658  9.8659  -2.316551      13.49200 
1 1 1 -13 42  17 o 19.549  8.8807  -1.0235    91.777   -1.0235    91.777   0.0000     0.0000   19.549  8.8807  ?       ?       0.000000       8.880704 
1 1 1 -13 42  18 o 25.480  11.542  73.107     153.648  8.2636     192.482  186.993    255.091  24.709  11.752  29.895  14.005  -5.186651      18.28245 
1 1 1 -13 42  19 f 22.446  9.7311  54.114     97.982   59.713     192.010  52.142     113.933  25.633  12.054  23.025  10.220  2.607349       15.80290 
1 1 1 -13 42  20 o 22.857  9.8546  65.550     99.367   170.741    194.846  28.576     115.518  28.319  12.894  21.768  9.9176  6.550732       16.26675 
1 1 1 -13 43  1  o 47.116  6.5586  302.748    72.947   361.543    109.068  255.161    98.122   48.754  9.5614  40.232  10.074  8.522633       13.88907 
1 1 1 -13 43  2  o 30.021  8.3192  134.135    62.694   61.552     105.143  174.180    78.096   24.255  10.288  33.559  9.2796  -9.303942      13.85491 
1 1 1 -13 43  3  o 13.328  6.3357  -53.8295   55.806   84.292     97.146   -121.8592  68.178   25.211  10.213  12.654  6.2356  12.55716       11.96579 
1 1 1 -13 43  4  o 30.300  8.3601  138.472    63.466   157.882    101.228  125.902    81.466   30.615  10.865  28.238  9.7669  2.376650       14.60948 
1 1 1 -13 43  5  o 22.112  8.8203  59.971     71.275   11.320     103.512  103.835    98.288   21.224  9.5565  26.313  10.401  -5.088861      14.12494 
1 1 1 -13 43  6  o 22.631  8.6756  69.327     66.732   98.962     110.580  52.352     83.688   26.078  10.768  22.121  9.2693  3.956842       14.20805 
1 1 1 -13 43  7  o 32.192  8.8195  162.401    70.926   202.131    105.751  129.917    95.622   33.576  11.132  27.977  10.461  5.598677       15.27595 
1 1 1 -13 43  8  o 36.385  8.2269  200.520    70.928   226.496    104.836  178.593    96.320   35.643  11.011  31.960  10.625  3.683384       15.30174 
1 1 1 -13 43  9  o 18.287  7.7709  24.138     60.172   -34.2120   88.657   73.970     81.931   17.802  8.3128  23.360  9.4082  -5.558336      12.55453 
1 1 1 -13 43  10 o 34.990  11.084  221.601    105.540  234.575    111.405  108.014    329.635  35.626  11.399  28.977  14.162  6.649012       18.17962 
1 1 1 -13 43  11 o 16.743  7.9689  -62.0087   88.817   -94.7477   92.518   322.773    317.177  16.043  7.7619  32.613  15.384  -16.57076      17.23094 
1 1 1 -13 43  12 o 26.031  10.645  104.905    106.754  117.737    117.914  46.581     251.388  26.936  11.121  27.059  13.018  -0.1230278     17.12104 
1 1 1 -13 43  13 o 27.430  9.1044  119.978    70.730   161.477    110.885  91.511     91.839   29.899  11.248  24.911  9.9861  4.987890       15.04155 
1 1 1 -13 43  14 o 16.925  7.5079  2.8323     61.412   -69.5097   100.778  45.565     77.455   17.605  8.4091  21.102  8.8838  -3.497087      12.23253 
1 1 1 -13 43  15 o 17.205  7.4986  11.684     58.815   43.483     97.110   -6.7369    73.914   22.022  9.6158  17.616  7.9900  4.406202       12.50222 
1 1 1 -13 43  16 o 38.454  11.116  269.059    109.582  269.059    109.582  0.0000     0.0000   38.454  11.116  ?       ?       0.000000       11.11635 
1 1 1 -13 43  17 o 25.726  12.170  63.808     201.111  63.808     201.111  0.0000     0.0000   25.726  12.170  ?       ?       0.000000       12.16967 
1 1 1 -13 43  18 o 21.846  9.6080  48.959     98.516   350.084    204.465  -42.0845   112.427  34.434  14.462  18.953  9.0046  15.48121       17.03601 
1 1 1 -13 44  1  o 37.864  7.6715  208.546    68.066   279.002    101.144  150.225    92.022   41.428  10.143  30.056  10.381  11.37185       14.51404 
1 1 1 -13 44  2  o 22.465  8.8619  65.255     71.208   153.649    102.060  -18.5921   99.401   29.907  10.872  19.526  9.0082  10.38054       14.11932 
1 1 1 -13 44  3  o 29.775  9.3739  143.139    75.574   134.836    109.970  150.571    104.033  28.232  11.051  29.448  10.931  -1.215284      15.54381 
1 1 1 -13 44  4  o 17.566  7.8674  -0.2285    69.135   36.701     102.886  -30.6304   93.351   22.097  9.7642  18.381  8.5652  3.716597       12.98851 
1 1 1 -13 44  5  o 23.183  9.0359  75.904     73.286   144.580    107.813  16.914     99.920   28.631  11.015  20.877  9.3957  7.753645       14.47782 
1 1 1 -13 44  6  o 41.715  8.3170  264.918    81.229   248.691    118.597  279.256    111.483  35.962  11.782  39.312  11.165  -3.349422      16.23194 
1 1 1 -13 44  7  o 32.310  11.431  198.357    111.979  181.024    119.239  327.830    325.888  30.696  11.637  32.041  15.254  -1.344954      19.18631 
1 1 1 -13 44  8  o 31.290  10.854  178.596    100.639  211.101    105.772  -132.1734  327.045  33.721  11.131  25.531  12.759  8.190626       16.93145 
1 1 1 -13 44  9  o 22.278  9.6218  52.114     95.067   37.177     99.435   211.040    324.344  21.697  9.5927  29.939  14.497  -8.241728      17.38369 
1 1 1 -13 44  10 o 25.189  10.271  97.350     99.031   73.026     103.872  340.208    328.210  23.825  10.169  32.149  15.306  -8.323586      18.37634 
1 1 1 -13 44  11 o 55.844  6.4096  434.893    85.276   441.633    118.935  427.763    122.332  52.197  9.7493  50.569  10.319  1.627693       14.19631 
1 1 1 -13 44  12 o 14.019  6.6006  -40.6348   57.895   -25.1727   90.825   -51.2169   75.138   18.242  8.4832  15.657  7.4160  2.585253       11.26773 
1 1 1 -13 44  13 o 17.628  7.7306  12.347     63.377   -31.9288   102.326  39.902     80.724   18.865  8.8481  20.741  8.9117  -1.876575      12.55813 
1 1 1 -13 44  14 o 18.819  7.9668  30.861     62.853   47.251     106.043  21.985     78.039   22.372  9.8979  19.393  8.5397  2.979460       13.07268 
1 1 1 -13 44  15 o 25.653  12.547  21.693     260.334  21.693     260.334  0.0000     0.0000   25.653  12.547  ?       ?       0.000000       12.54743 
1 1 1 -13 44  16 o 25.196  12.466  -0.0045    282.227  -0.0045    282.227  0.0000     0.0000   25.196  12.466  ?       ?       0.000000       12.46561 
1 1 1 -13 45  1  o 25.634  9.1404  103.566    71.727   130.391    93.863   65.915     111.202  27.706  10.364  23.807  10.344  3.898872       14.64240 
1 1 1 -13 45  2  o 25.647  9.3131  104.955    74.855   183.067    100.184  6.2355     112.627  31.705  10.837  21.070  9.6720  10.63553       14.52536 
1 1 1 -13 45  3  o 17.283  7.7299  2.1056     66.496   15.623     94.810   -10.9811   93.288   20.298  9.1420  18.979  8.7455  1.318720       12.65144 
1 1 1 -13 45  4  o 22.018  8.7918  65.631     70.880   170.294    99.774   -41.0080   100.711  30.426  10.788  18.350  8.6594  12.07687       13.83326 
1 1 1 -13 45  5  o 24.677  10.584  87.697     113.494  89.720     128.563  80.555     241.595  25.105  11.010  26.760  12.846  -1.655149      16.91850 
1 1 1 -13 45  6  o 27.521  11.325  138.186    121.800  124.338    132.707  212.196    306.794  26.778  11.464  29.395  14.200  -2.617157      18.24975 
1 1 1 -13 45  7  o 43.415  11.023  339.569    116.335  321.623    123.675  477.433    342.790  40.831  11.811  33.602  15.893  7.228577       19.80175 
1 1 1 -13 45  8  o 20.523  9.1621  24.637     92.951   15.585     96.942   127.817    327.286  20.335  9.1935  28.179  13.842  -7.844257      16.61667 
1 1 1 -13 45  9  o 15.548  7.1232  -16.4922   60.677   43.682     89.533   -67.6032   82.516   21.376  9.2848  15.754  7.5477  5.622204       11.96554 
1 1 1 -13 45  10 o 14.987  6.9627  -27.5926   60.938   -22.6776   86.223   -32.4975   86.135   17.829  8.2826  17.414  8.1518  0.4146671      11.62124 
1 1 1 -13 45  11 o 29.262  8.8215  139.505    67.829   277.642    99.490   19.535     92.717   40.078  10.204  20.216  9.0787  19.86114       13.65813 
1 1 1 -13 45  12 o 18.506  7.8730  29.024     61.887   149.736    96.310   -55.8759   80.770   28.588  10.536  15.914  7.5810  12.67496       12.97979 
1 1 1 -13 45  13 o 13.581  6.4539  -46.7176   57.826   -306.9603  267.263  -33.9365   59.229   21.463  10.831  14.354  6.7320  7.109609       12.75272 
1 1 1 -13 45  14 o 32.865  15.259  463.317    292.038  463.317    292.038  0.0000     0.0000   32.865  15.259  ?       ?       0.000000       15.25944 
1 1 1 -13 45  15 o 24.897  12.351  42.469     284.107  42.469     284.107  0.0000     0.0000   24.897  12.351  ?       ?       0.000000       12.35126 
1 1 1 -13 46  1  o 21.992  8.8123  66.734     71.486   93.047     95.260   32.814     108.159  24.473  10.037  21.638  9.7533  2.835287       13.99531 
1 1 1 -13 46  2  o 25.100  10.668  100.177    113.422  80.230     128.370  171.177    242.186  24.408  10.840  28.240  13.358  -3.832563      17.20266 
1 1 1 -13 46  3  o 38.510  12.452  313.016    132.663  284.127    153.819  396.906    262.119  34.500  13.184  33.525  15.141  0.9753113      20.07663 
1 1 1 -13 46  4  o 27.696  11.467  148.046    125.903  117.934    145.387  238.355    251.776  26.215  11.594  29.607  13.884  -3.391422      18.08848 
1 1 1 -13 46  5  o 22.084  10.072  33.320     119.539  2.2223     137.249  131.029    243.284  21.765  10.221  27.267  13.036  -5.501486      16.56489 
1 1 1 -13 46  6  o 18.611  8.1483  21.395     70.147   -0.1364    96.974   45.026     101.592  19.475  8.9528  21.825  9.6704  -2.350359      13.17835 
1 1 1 -13 46  7  o 36.682  8.7619  216.304    76.915   225.984    102.474  203.815    116.402  34.659  10.916  31.721  11.599  2.938524       15.92785 
1 1 1 -13 46  8  o 16.101  7.3659  -12.6845   64.560   -36.7510   85.542   19.165     98.407   17.073  8.0338  20.425  9.2459  -3.352215      12.24866 
1 1 1 -13 46  9  f 17.931  7.9381  13.350     68.311   -57.8686   92.534   98.648     101.269  16.895  8.0665  24.754  10.270  -7.858976      13.05884 
1 1 1 -13 46  10 o 17.532  8.1678  -21.6385   84.804   -90.7664   246.083  -12.3226   90.337   23.288  11.543  18.369  8.5142  4.918379       14.34318 
1 1 1 -13 46  11 o 18.644  8.4117  11.270     80.677   114.290    270.360  1.2000     84.528   26.430  12.897  18.431  8.4305  7.999123       15.40827 
1 1 1 -13 46  12 o 15.256  7.1386  -28.3198   65.937   5.3525     267.387  -30.5000   68.038   24.379  12.074  15.382  7.2148  8.996177       14.06554 
1 1 1 -13 46  13 o 25.477  12.581  116.018    282.621  116.018    282.621  0.0000     0.0000   25.477  12.581  ?       ?       0.000000       12.58078 
1 1 1 -13 47  1  o 32.892  12.012  235.105    124.786  157.076    139.487  547.846    279.254  27.618  11.786  36.102  16.013  -8.484417      19.88271 
1 1 1 -13 47  2  o 53.118  11.386  524.807    142.333  547.343    161.433  446.119    301.656  51.139  12.986  32.464  15.215  18.67492       20.00350 
1 1 1 -13 47  3  o 17.849  8.6374  -80.5901   114.695  -88.7502   131.892  -55.2760   232.302  18.773  9.1265  23.354  11.509  -4.581791      14.68825 
1 1 1 -13 47  4  o 13.372  6.4977  -80.4345   66.640   -163.8063  99.055   -11.4990   90.072   14.585  7.2452  18.347  8.5029  -3.761692      11.17107 
1 1 1 -13 47  5  o 54.340  7.0293  432.030    90.510   463.252    129.379  402.105    126.665  50.769  10.833  46.202  11.375  4.566624       15.70786 
1 1 1 -13 47  6  o 28.419  9.0065  136.526    69.672   155.440    90.184   108.524    109.731  28.969  10.258  25.197  10.589  3.772253       14.74272 
1 1 1 -13 47  7  o 31.410  9.0543  166.999    72.792   154.410    94.774   185.109    113.670  28.553  10.462  29.941  11.360  -1.388247      15.44352 
1 1 1 -13 47  8  o 24.315  10.013  98.917     95.286   193.425    178.507  61.258     112.682  28.257  12.650  22.605  10.090  5.651905       16.18082 
1 1 1 -13 47  9  o 25.926  10.384  126.049    99.212   89.342     196.778  138.560    114.883  24.903  11.855  26.458  10.954  -1.555002      16.14101 
1 1 1 -13 47  10 o 20.648  9.2607  40.182     96.139   189.311    175.037  -24.2426   115.047  27.402  12.374  19.119  9.0909  8.283474       15.35480 
1 1 1 -13 47  11 o 20.672  8.8583  56.550     79.378   97.548     220.917  50.472     85.058   24.448  11.869  20.515  8.9774  3.933611       14.88145 
1 1 1 -13 48  1  f 14.581  6.6422  -10.3866   51.791   -50.2599   102.922  3.1334     59.932   17.731  8.4775  16.330  7.3185  1.401972       11.19951 
1 1 1 -13 48  2  o 20.014  8.0157  53.127     59.110   249.830    102.037  -46.2285   72.518   36.044  10.809  15.225  7.2331  20.81879       13.00609 
1 1 1 -13 48  3  o 11.872  5.8974  -124.7500  65.601   -142.5803  96.829   -109.6227  89.188   14.756  7.3007  14.853  7.2816  -0.9694386E-01 10.31127 
1 1 1 -13 48  4  o 23.036  9.0816  84.453     74.742   59.205     108.864  106.966    102.799  22.300  9.9382  24.754  10.315  -2.454466      14.32352 
1 1 1 -13 48  5  o 17.654  7.8881  12.178     69.065   -65.7938   98.248   88.349     97.107   16.836  8.1093  23.490  9.9211  -6.653193      12.81361 
1 1 1 -13 48  6  o 18.326  8.4976  -4.9812    90.134   -73.2783   177.198  18.858     104.689  20.828  10.222  20.175  9.2846  0.6537266      13.80893 
1 1 1 -13 48  7  o 22.028  9.5194  69.516     93.167   70.341     175.090  69.191     110.038  23.705  11.255  22.422  9.9922  1.283264       15.05056 
1 1 1 -13 48  8  o 17.829  8.3040  -7.0458    87.567   56.870     166.486  -31.4903   102.959  22.915  10.908  17.958  8.5562  4.957027       13.86301 
1 1 1 -13 48  9  o 20.915  9.2477  57.491     92.431   -63.8639   178.583  101.896    108.026  20.353  10.041  23.477  10.198  -3.123568      14.31170 
1 1 1 -13 49  1  f 25.966  8.5823  114.233    62.874   71.250     111.762  134.135    76.050   22.685  10.093  27.235  9.4357  -4.549488      13.81642 
1 1 1 -13 49  2  o 19.563  7.9237  50.545     58.474   46.730     106.231  52.203     70.039   21.343  9.6388  20.198  8.4725  1.145069       12.83311 
1 1 1 -13 49  3  o 28.189  9.4749  145.854    76.570   160.275    187.961  142.985    83.843   26.142  12.172  27.418  9.8710  -1.275614      15.67183 
1 1 1 -13 49  4  o 19.395  8.7141  28.941     85.529   118.431    165.713  -3.5542    99.857   24.722  11.484  18.784  8.7881  5.937353       14.46056 
1 1 1 -13 49  5  o 28.162  10.663  169.002    100.019  71.930     184.046  209.685    119.148  23.371  11.217  29.737  11.541  -6.365818      16.09352 
1 1 1 -13 49  6  o 28.769  10.807  183.407    102.268  117.176    198.589  207.310    119.304  24.139  11.603  29.175  11.483  -5.036821      16.32404 
1 1 1 -13 49  7  o 28.794  10.847  190.239    103.188  -26.1810   191.653  278.587    122.451  20.955  10.350  33.282  11.935  -12.32738      15.79758 
1 1 1 -13 50  1  o 17.799  7.8768  22.821     67.202   -42.1331   160.749  36.577     73.977   20.270  9.9029  19.053  8.3540  1.217142       12.95598 
1 1 1 -13 50  2  o 30.229  9.4904  172.516    77.524   43.146     178.402  202.632    86.076   22.365  10.810  32.183  9.9833  -9.818771      14.71472 
1 1 1 -13 50  3  o 11.303  5.5179  -66.8504   49.639   -186.6861  154.247  -53.0060   52.428   17.207  8.6230  12.234  5.9002  4.972802       10.44839 
1 1 1 -13 50  4  o 20.080  8.4590  59.931     70.297   277.130    173.129  17.053     76.923   28.511  12.629  17.798  8.1029  10.71262       15.00474 
1 1 1 -13 50  5  o 18.047  8.1408  26.552     75.518   -219.8046  168.236  88.717     84.511   17.058  8.6062  21.965  9.2649  -4.906841      12.64537 
1 1 1 -13 51  1  o 26.363  9.2751  137.228    73.619   12.185     173.108  164.837    81.342   20.845  10.204  28.258  9.7603  -7.412987      14.12008 
1 1 1 -13 51  2  o 12.968  6.2309  -45.5094   57.146   62.423     160.193  -61.2474   61.171   21.431  10.330  12.837  6.2349  8.593834       12.06586 
1 1 1 -12 -56 25 o 22.497  8.5945  108.343    65.349   138.799    91.292   76.339     93.585   23.065  9.6739  19.618  8.9337  3.446278       13.16794 
1 1 1 -12 -56 26 o 13.676  6.5655  -31.9890   63.162   21.256     97.373   -70.6655   82.989   17.613  8.3716  14.063  6.9199  3.550649       10.86134 
1 1 1 -12 -56 27 o 15.989  7.2811  18.013     62.160   -42.1034   95.189   62.709     82.077   15.660  7.6441  19.091  8.5599  -3.431375      11.47623 
1 1 1 -12 -56 28 o 22.461  8.7374  106.958    68.420   83.163     116.913  119.353    84.379   20.243  9.4827  22.546  9.3657  -2.303646      13.32810 
1 1 1 -12 -56 29 o 16.806  7.5024  30.304     62.318   -30.0326   102.353  65.846     78.556   16.452  8.0077  19.365  8.5456  -2.912973      11.71116 
1 1 1 -12 -56 30 o 19.287  7.9981  65.308     61.385   94.337     108.820  51.760     74.342   20.823  9.5398  18.536  8.2396  2.287762       12.60553 
1 1 1 -12 -56 31 o 20.909  8.2639  84.179     62.036   130.402    105.166  59.511     76.826   22.589  9.9311  19.065  8.4303  3.523548       13.02676 
1 1 1 -12 -56 32 o 19.267  8.2502  63.811     68.764   -46.0794   102.108  155.011    93.020   16.109  7.8748  24.725  10.001  -8.616684      12.72936 
1 1 1 -12 -56 33 o 17.786  7.9508  39.501     70.250   28.943     96.941   51.177     101.946  18.209  8.5634  19.172  8.9397  -0.9633522     12.37937 
1 1 1 -12 -56 34 o 19.576  8.8337  64.957     89.013   59.839     177.532  66.675     102.878  20.310  10.019  19.806  9.1469  0.5036354      13.56609 
1 1 1 -12 -56 35 o 16.100  7.6959  -14.6498   84.727   54.016     167.518  -38.2531   98.215   20.129  9.8904  16.131  7.8500  3.997353       12.62704 
1 1 1 -12 -56 36 o 16.858  8.0377  -2.5842    91.183   35.712     165.734  -19.2084   109.195  19.760  9.7341  17.165  8.3354  2.594744       12.81530 
1 1 1 -12 -56 37 o 18.745  8.4988  50.497     83.525   232.909    173.148  -4.8229    95.352   24.079  11.360  16.967  8.1247  7.112022       13.96672 
1 1 1 -12 -56 38 o 18.027  8.2800  36.456     82.700   188.665    169.770  -10.9003   94.696   22.964  10.954  16.719  8.0300  6.244864       13.58188 
1 1 1 -12 -56 39 o 15.340  6.6441  23.160     45.591   97.879     95.628   1.1811     51.864   21.119  9.3686  14.347  6.5775  6.772145       11.44701 
1 1 1 -12 -56 40 o 12.356  5.7081  -9.7068    40.113   52.602     85.730   -27.1715   45.388   18.788  8.5538  12.054  5.7254  6.734058       10.29309 
1 1 1 -12 -56 41 o 12.613  5.8305  -9.0705    41.948   151.971    95.135   -47.9363   46.736   24.098  9.9720  11.273  5.4693  12.82498       11.37341 
1 1 1 -12 -56 42 o 13.616  6.1093  6.1518     41.892   9.6826     96.225   5.3261     46.534   17.272  8.2409  14.025  6.3526  3.246842       10.40520 
1 1 1 -12 -55 21 o 13.947  6.5560  -15.2835   56.713   32.561     82.589   -57.9750   78.015   17.856  8.2283  14.209  6.9324  3.647243       10.75934 
1 1 1 -12 -55 22 o 19.122  7.9610  61.245     61.158   79.116     83.357   40.409     90.006   20.405  8.9094  18.561  8.5661  1.844351       12.35938 
1 1 1 -12 -55 23 o 17.879  7.6924  44.039     60.293   -21.1262   83.034   116.717    87.691   15.905  7.6072  22.792  9.5144  -6.887147      12.18168 
1 1 1 -12 -55 24 o 23.121  8.5177  104.262    62.939   118.700    87.230   88.583     90.901   23.072  9.5482  21.155  9.2684  1.917320       13.30684 
1 1 1 -12 -55 25 o 14.946  6.9509  -6.9058    61.003   -99.6613   85.794   87.944     86.757   13.920  6.8843  21.237  9.1819  -7.317572      11.47614 
1 1 1 -12 -55 26 o 12.372  5.9773  -49.3170   54.386   -126.5897  75.380   34.580     78.545   12.384  6.1788  18.207  8.2494  -5.823370      10.30680 
1 1 1 -12 -55 27 o 14.160  6.5941  -12.5797   55.187   27.380     81.600   -46.2660   74.921   18.030  8.2603  14.598  7.0435  3.431426       10.85553 
1 1 1 -12 -55 28 o 22.066  8.3986  90.467     62.258   10.813     92.447   156.572    84.219   17.861  8.3878  26.533  9.8379  -8.671822      12.92824 
1 1 1 -12 -55 29 o 13.981  6.5412  -17.0012   55.329   -50.7190   87.675   5.3141     71.326   15.501  7.5140  16.463  7.6076  -0.9619846     10.69277 
1 1 1 -12 -55 30 o 13.968  6.5546  -19.5049   56.267   -70.6549   95.543   7.6549     69.621   15.514  7.5911  16.481  7.5797  -0.9665451     10.72741 
1 1 1 -12 -55 31 o 24.036  9.0087  115.169    70.995   124.175    104.160  107.355    97.023   23.373  10.083  22.582  9.7368  0.7906399      14.01690 
1 1 1 -12 -55 32 o 20.251  8.4291  68.834     68.541   12.143     99.553   119.923    94.507   18.324  8.6358  23.408  9.8316  -5.084190      13.08579 
1 1 1 -12 -55 33 o 17.070  7.6198  24.053     64.278   3.6152     96.647   40.264     86.074   17.897  8.4570  18.970  8.6112  -1.073736      12.06951 
1 1 1 -12 -55 34 o 28.538  9.0821  159.490    70.790   217.607    105.299  111.563    95.623   29.435  10.983  22.899  9.7651  6.535830       14.69662 
1 1 1 -12 -55 35 o 12.344  6.0435  -73.3382   60.811   -26.7502   90.059   -112.3805  82.444   16.483  7.8940  13.460  6.6733  3.023403       10.33671 
1 1 1 -12 -55 36 o 27.561  9.2290  152.510    72.645   -72.0268   106.122  350.507    99.654   16.197  7.9409  42.298  9.8872  -26.10126      12.68126 
1 1 1 -12 -55 37 o 20.006  8.8123  61.790     83.159   -146.2682  170.077  127.157    95.331   17.804  8.9402  23.841  9.9335  -6.037119      13.36415 
1 1 1 -12 -55 38 o 26.146  10.106  157.163    91.081   400.595    180.911  74.510     105.416  31.205  13.372  20.942  9.5154  10.26294       16.41238 
1 1 1 -12 -55 39 o 24.285  9.6269  127.660    84.418   168.088    174.146  115.242    96.516   23.704  11.246  23.012  9.8118  0.6924934      14.92447 
1 1 1 -12 -55 40 o 18.035  8.1620  30.726     76.630   -14.1402   165.333  43.002     86.480   19.629  9.6800  19.033  8.6366  0.5959682      12.97281 
1 1 1 -12 -55 41 o 19.597  7.1671  62.651     44.447   85.365     92.045   55.744     50.757   21.264  9.3211  18.846  7.4666  2.417772       11.94293 
1 1 1 -12 -55 42 o 15.580  6.6724  23.467     44.990   53.410     100.748  16.008     50.282   19.778  9.1042  15.432  6.8222  4.345298       11.37668 
1 1 1 -12 -55 43 o 18.169  7.9062  43.477     65.158   74.111     94.637   15.867     89.844   20.542  9.2021  17.821  8.3369  2.720579       12.41704 
1 1 1 -12 -55 44 f 18.429  8.7110  20.559     102.676  20.559     102.676  0.0000     0.0000   18.429  8.7110  ?       ?       0.000000       8.710997 
1 1 1 -12 -55 45 o 15.548  7.5896  -55.9559   93.857   -55.9559   93.857   0.0000     0.0000   15.548  7.5896  ?       ?       0.000000       7.589638 
1 1 1 -12 -55 46 o 13.726  6.5737  -34.3929   62.470   23.024     124.945  -53.5293   72.133   18.924  9.1222  13.927  6.7657  4.997283       11.35734 
1 1 1 -12 -54 17 f 13.799  6.6875  -51.6463   69.363   -44.9115   94.830   -59.3955   101.721  15.925  7.7413  15.948  7.8098  -0.2340412E-01 10.99639 
1 1 1 -12 -54 18 f 14.302  6.6987  -15.0888   58.302   56.043     96.545   -55.9198   73.146   19.719  9.0161  14.074  6.8315  5.645359       11.31194 
1 1 1 -12 -54 19 o 19.815  8.1794  65.058     63.775   90.403     98.245   46.599     83.842   21.529  9.5257  19.093  8.5983  2.436241       12.83240 
1 1 1 -12 -54 20 o 16.181  7.2090  17.604     57.236   -31.7349   83.126   62.082     78.925   15.831  7.5822  19.940  8.6887  -4.108549      11.53178 
1 1 1 -12 -54 21 o 18.370  7.8408  44.597     61.748   -4.3648    87.785   92.545     86.872   17.202  8.1077  21.966  9.3360  -4.764626      12.36509 
1 1 1 -12 -54 22 o 21.062  8.2373  76.627     61.061   128.001    83.756   18.344     89.209   24.655  9.6460  18.258  8.4621  6.396906       12.83168 
1 1 1 -12 -54 23 o 14.869  6.8747  -8.5000    58.361   -35.8528   82.521   18.870     82.547   15.793  7.5615  18.004  8.2703  -2.210667      11.20601 
1 1 1 -12 -54 24 o 21.838  8.4308  84.216     63.330   185.568    90.285   -13.9556   88.857   29.111  10.268  17.058  8.0753  12.05255       13.06323 
1 1 1 -12 -54 25 o 13.279  6.3384  -39.4993   57.046   -106.1414  81.457   24.644     79.915   13.661  6.7474  18.223  8.2817  -4.561952      10.68245 
1 1 1 -12 -54 26 o 17.023  7.3507  28.450     55.460   -59.2324   82.109   102.016    75.210   15.061  7.2932  23.180  9.1190  -8.119401      11.67678 
1 1 1 -12 -54 27 o 16.410  7.1455  22.103     53.291   120.007    79.267   -58.6438   71.987   24.546  9.4444  14.175  6.8553  10.37104       11.67017 
1 1 1 -12 -54 28 o 26.581  8.6819  129.836    64.413   5.7394     98.714   221.855    85.004   18.448  8.6648  33.556  9.8167  -15.10822      13.09372 
1 1 1 -12 -54 29 o 24.310  8.7247  108.986    65.452   156.419    104.081  77.959     84.180   26.081  10.569  21.468  9.1586  4.613319       13.98499 
1 1 1 -12 -54 30 o 34.476  8.8021  211.940    73.886   164.024    108.680  253.122    100.753  26.361  10.756  34.040  10.835  -7.678295      15.26705 
1 1 1 -12 -54 31 o 21.060  8.3656  73.755     63.866   25.163     93.330   116.550    87.585   19.011  8.7555  24.064  9.7149  -5.053535      13.07813 
1 1 1 -12 -54 32 o 19.483  8.1606  54.097     64.822   106.003    91.262   1.2459     92.088   23.278  9.7108  17.976  8.4193  5.302128       12.85240 
1 1 1 -12 -54 33 o 17.753  7.7698  30.318     63.728   0.0046     95.213   54.920     85.774   18.107  8.5062  20.188  8.9181  -2.080780      12.32430 
1 1 1 -12 -54 34 o 24.405  8.7412  109.545    65.668   169.155    99.940   64.255     87.112   27.292  10.576  20.748  9.0821  6.544765       13.94020 
1 1 1 -12 -54 35 o 19.088  7.9156  50.876     60.124   11.866     96.819   75.361     76.707   18.653  8.7022  21.281  8.8924  -2.628613      12.44203 
1 1 1 -12 -54 36 o 21.298  8.4366  76.225     64.791   14.781     100.743  119.565    84.610   18.949  8.8526  24.419  9.6512  -5.470661      13.09638 
1 1 1 -12 -54 37 o 19.865  8.0351  60.241     60.040   37.302     89.003   79.397     81.333   19.398  8.7860  21.590  9.0971  -2.191662      12.64720 
1 1 1 -12 -54 38 o 12.021  5.6127  -21.2071   40.396   -59.1456   88.674   -11.2720   45.378   15.660  7.5823  13.337  6.1284  2.323306       9.749298 
1 1 1 -12 -54 39 o 18.294  8.1998  28.601     75.259   47.077     158.448  23.218     85.521   21.560  10.363  18.553  8.4839  3.007137       13.39308 
1 1 1 -12 -54 40 o 25.630  9.7849  135.731    84.670   167.225    168.146  125.033    98.001   24.820  11.542  24.314  10.096  0.5060806      15.33484 
1 1 1 -12 -54 41 o 21.941  9.0286  85.590     77.399   70.953     168.832  89.484     87.090   22.201  10.678  22.185  9.3841  0.1676369E-01  14.21542 
1 1 1 -12 -54 42 o 19.030  9.3880  -64.0343   156.025  -64.0343   156.025  0.0000     0.0000   19.030  9.3880  ?       ?       0.000000       9.388016 
1 1 1 -12 -54 43 o 14.487  7.1002  -85.5974   84.590   -85.5974   84.590   0.0000     0.0000   14.487  7.1002  ?       ?       0.000000       7.100186 
1 1 1 -12 -54 44 o 19.379  7.7035  57.716     54.197   139.251    102.544  26.113     63.842   24.803  10.316  17.361  7.6803  7.442978       12.86090 
1 1 1 -12 -54 45 o 19.313  7.4894  58.141     50.149   12.375     99.298   73.812     58.104   18.537  8.7013  20.875  8.0708  -2.337606      11.86808 
1 1 1 -12 -54 46 o 17.693  6.9397  44.734     43.437   -18.9558   94.599   61.750     48.896   17.115  8.1673  19.628  7.4497  -2.513554      11.05448 
1 1 1 -12 -54 47 o 17.139  7.5008  29.430     59.394   -92.2240   132.919  59.782     66.391   17.201  8.5183  19.582  8.2332  -2.380377      11.84681 
1 1 1 -12 -54 48 o 14.433  6.7028  -10.2462   56.397   -161.7763  121.033  31.778     63.739   15.240  7.6372  17.455  7.7005  -2.215510      10.84550 
1 1 1 -12 -54 49 o 17.735  7.6779  39.546     60.825   134.153    129.641  12.843     68.876   22.960  10.479  16.570  7.5907  6.389961       12.93904 
1 1 1 -12 -53 14 o 16.509  7.9449  -30.9906   93.814   -104.4980  108.429  187.873    187.098  15.540  7.6952  23.912  11.432  -8.371924      13.78041 
1 1 1 -12 -53 15 o 26.563  10.628  173.422    103.814  112.813    120.703  345.684    203.491  22.751  10.275  27.932  12.887  -5.181650      16.48176 
1 1 1 -12 -53 16 o 29.108  10.816  202.338    101.899  195.857    122.527  216.876    183.501  27.004  11.257  25.451  11.909  1.552952       16.38754 
1 1 1 -12 -53 17 o 18.817  8.6329  27.070     89.555   69.057     106.288  -75.6854   166.277  21.187  9.5982  19.121  9.4794  2.065908       13.49021 
1 1 1 -12 -53 18 o 22.097  9.5739  87.301     94.724   54.285     112.728  166.618    174.722  20.831  9.6042  24.714  11.582  -3.882610      15.04601 
1 1 1 -12 -53 19 o 13.356  6.6141  -116.7095  80.161   -210.4385  93.003   154.134    158.095  12.675  6.3954  24.707  11.385  -12.03228      13.05837 
1 1 1 -12 -53 20 o 21.175  9.0424  71.133     82.201   81.875     95.210   39.682     162.912  21.975  9.5597  21.654  10.433  0.3209457      14.15026 
1 1 1 -12 -53 21 o 20.079  8.6374  55.548     75.991   101.795    82.096   -221.1681  200.815  23.343  9.4119  18.646  9.4070  4.696985       13.30695 
1 1 1 -12 -53 22 o 11.207  5.5481  -97.4684   56.232   -116.5357  81.137   -79.8445   78.005   13.516  6.6864  14.211  6.9330  -0.6949997     9.631932 
1 1 1 -12 -53 23 o 30.753  8.5946  165.689    66.617   155.571    92.803   176.445    95.684   27.128  10.271  28.583  10.506  -1.454788      14.69276 
1 1 1 -12 -53 24 o 14.379  6.6658  -15.8574   55.412   16.997     74.841   -55.7185   82.436   17.839  8.0704  15.399  7.4195  2.440536       10.96269 
1 1 1 -12 -53 25 o 38.186  8.2160  242.018    73.866   215.302    110.188  263.823    99.547   30.367  11.254  35.877  10.658  -5.510303      15.49999 
1 1 1 -12 -53 26 o 21.571  8.1952  76.469     59.211   124.334    87.399   35.862     80.500   25.045  9.8374  19.193  8.5504  5.852224       13.03397 
1 1 1 -12 -53 27 o 25.484  8.6383  115.783    63.651   161.473    93.507   76.332     86.889   27.635  10.343  21.758  9.2942  5.876869       13.90499 
1 1 1 -12 -53 28 o 18.349  7.5690  42.680     54.563   65.060     86.655   27.978     70.235   21.079  9.1449  18.195  8.0523  2.883469       12.18480 
1 1 1 -12 -53 29 o 18.476  7.9822  36.670     65.468   -11.8728   90.633   89.634     94.670   17.610  8.2810  22.635  9.6861  -5.025932      12.74342 
1 1 1 -12 -53 30 o 22.939  8.5412  91.064     63.611   139.991    92.057   46.355     87.999   26.058  10.135  20.085  8.9443  5.973145       13.51759 
1 1 1 -12 -53 31 o 12.326  5.9873  -65.0624   56.451   -68.2559   81.297   -62.0888   78.448   14.914  7.2310  14.851  7.1759  0.6324196E-01  10.18724 
1 1 1 -12 -53 32 o 14.889  6.9719  -22.6073   63.091   -13.1298   89.566   -31.9414   88.886   17.497  8.2293  16.755  7.9737  0.7419109      11.45868 
1 1 1 -12 -53 33 o 14.621  7.0341  -54.8007   73.399   -12.4816   83.678   -196.0178  152.857  17.120  8.0205  17.094  8.5687  0.2599716E-01  11.73677 
1 1 1 -12 -53 34 o 18.579  7.7790  42.649     58.867   -16.7618   92.731   82.753     76.187   17.582  8.3009  22.126  9.0139  -4.544012      12.25376 
1 1 1 -12 -53 35 o 18.762  7.8258  44.599     59.258   25.296     92.579   57.997     77.128   19.290  8.8232  20.418  8.7402  -1.128536      12.41931 
1 1 1 -12 -53 36 o 21.907  8.4655  79.812     63.899   88.943     97.336   72.897     84.708   22.664  9.7623  21.561  9.1927  1.102737       13.40928 
1 1 1 -12 -53 37 o 13.427  6.0541  -4.1998    41.714   -48.4478   89.257   8.1653     47.184   16.251  7.8027  15.003  6.6218  1.247751       10.23377 
1 1 1 -12 -53 38 o 25.271  7.3691  102.962    47.969   64.872     97.654   115.076    55.071   21.401  9.4818  26.170  7.9621  -4.769211      12.38140 
1 1 1 -12 -53 39 o 11.408  5.3891  -29.8084   39.187   -59.0969   92.679   -23.4323   43.242   16.189  7.8165  12.408  5.7978  3.780766       9.732015 
1 1 1 -12 -53 40 o 43.064  5.5481  262.301    56.625   182.764    110.651  290.520    65.909   28.194  11.071  44.503  6.2781  -16.30897      12.72685 
1 1 1 -12 -53 41 o 21.147  10.298  -6.3054    169.809  -6.3054    169.809  0.0000     0.0000   21.147  10.298  ?       ?       0.000000       10.29767 
1 1 1 -12 -53 42 o 26.095  11.985  184.136    173.260  184.136    173.260  0.0000     0.0000   26.095  11.985  ?       ?       0.000000       11.98521 
1 1 1 -12 -53 43 o 15.968  7.4403  -14.8163   70.413   77.262     165.563  -35.1486   77.799   22.967  10.916  15.765  7.4903  7.201521       13.23883 
1 1 1 -12 -53 44 o 15.790  7.0800  6.6086     56.158   -204.6453  151.641  40.187     60.457   16.898  8.4794  18.459  7.8139  -1.560894      11.53074 
1 1 1 -12 -53 45 o 22.104  7.3532  78.683     46.127   16.126     100.866  95.226     51.869   19.235  8.9431  23.876  7.7904  -4.641817      11.86043 
1 1 1 -12 -53 46 o 14.104  6.2611  3.7149     42.783   -4.3896    105.474  5.3109     46.806   18.659  8.8225  14.694  6.5347  3.964676       10.97896 
1 1 1 -12 -53 47 o 18.945  7.1585  53.309     45.022   155.641    104.899  30.202     49.847   26.275  10.623  16.902  7.1218  9.373062       12.78955 
1 1 1 -12 -53 48 f 23.384  7.5145  90.779     48.373   190.060    109.176  66.529     53.958   28.147  11.013  20.398  7.8056  7.748137       13.49841 
1 1 1 -12 -53 49 o 19.975  8.1906  61.600     63.419   200.561    132.017  19.912     72.309   27.095  11.512  17.598  7.9497  9.496788       13.99028 
1 1 1 -12 -53 50 o 17.685  7.7019  33.077     61.939   -81.0326   133.445  64.411     69.928   17.654  8.7043  20.190  8.4673  -2.535583      12.14333 
1 1 1 -12 -53 51 o 18.862  8.1942  47.188     69.763   0.0000     0.0000   47.188     69.763   ?       ?       18.862  8.1942  0.000000       8.194171 
1 1 1 -12 -52 11 o 23.099  8.6660  99.958     65.728   55.059     100.823  133.143    86.679   20.231  9.2360  24.875  9.7884  -4.644327      13.45796 
1 1 1 -12 -52 12 o 28.295  8.8839  149.711    67.931   83.567     109.160  191.516    86.783   21.862  9.8316  30.172  10.087  -8.309887      14.08587 
1 1 1 -12 -52 13 o 27.284  8.9460  139.005    68.367   124.005    103.743  150.520    90.895   24.198  10.239  26.514  10.135  -2.315895      14.40666 
1 1 1 -12 -52 14 o 25.750  9.3426  127.645    75.307   164.295    104.673  88.319     108.427  26.925  10.705  22.482  9.9744  4.443096       14.63174 
1 1 1 -12 -52 15 o 31.108  8.6028  169.032    67.116   101.671    107.475  212.094    85.932   23.294  10.145  33.014  9.9240  -9.720299      14.19178 
1 1 1 -12 -52 16 o 13.421  6.2956  -26.5668   51.840   14.918     90.363   -46.9178   63.291   18.742  8.6255  13.872  6.6366  4.869491       10.88319 
1 1 1 -12 -52 17 o 21.674  9.2637  72.770     86.409   72.462     100.891  73.617     167.392  21.932  9.6812  23.051  10.962  -1.119257      14.62521 
1 1 1 -12 -52 18 o 17.631  8.2297  -8.1185    86.768   -35.9551   103.290  58.620     159.933  17.729  8.4807  22.630  10.748  -4.901274      13.69101 
1 1 1 -12 -52 19 o 17.747  8.2163  -1.0385    83.778   -38.1866   100.074  85.984     153.168  17.470  8.3545  23.364  10.916  -5.894213      13.74583 
1 1 1 -12 -52 20 o 20.877  8.9517  60.382     81.156   2.4588     91.361   277.068    176.705  18.404  8.5416  29.776  12.987  -11.37129      15.54420 
1 1 1 -12 -52 21 o 27.820  10.271  157.356    91.604   190.807    101.583  11.756     211.933  29.780  10.844  22.643  11.126  7.137003       15.53594 
1 1 1 -12 -52 22 o 24.047  9.6884  106.388    86.917   146.217    96.643   -62.1487   198.802  26.667  10.381  21.147  10.462  5.520683       14.73887 
1 1 1 -12 -52 23 o 13.500  6.5511  -70.2879   67.130   -58.3115   71.984   -150.2171  185.962  14.444  6.9531  19.400  9.6835  -4.955870      11.92120 
1 1 1 -12 -52 24 o 21.810  9.2130  74.242     83.760   81.647     91.212   34.399     211.575  22.385  9.5414  22.980  11.255  -0.5944290     14.75516 
1 1 1 -12 -52 25 o 19.280  8.5440  35.120     79.335   47.506     86.711   -28.5386   196.575  20.299  8.9671  21.613  10.638  -1.313217      13.91320 
1 1 1 -12 -52 26 o 15.342  6.9346  -0.4167    55.122   57.281     85.528   -41.4110   72.092   20.810  9.0567  15.083  7.1791  5.726081       11.55695 
1 1 1 -12 -52 27 o 17.001  7.2860  25.397     53.714   11.714     82.698   35.381     70.643   18.262  8.3479  18.831  8.2125  -0.5686359     11.71031 
1 1 1 -12 -52 28 o 17.146  7.6039  16.932     62.949   -44.4164   83.689   96.864     95.527   16.032  7.6592  23.346  9.8491  -7.313951      12.47671 
1 1 1 -12 -52 29 o 21.007  8.3401  68.095     63.447   48.567     91.559   86.135     88.002   20.549  9.1390  22.644  9.4977  -2.094841      13.18060 
1 1 1 -12 -52 30 o 29.710  8.8315  155.467    68.336   164.489    96.405   146.355    96.879   28.066  10.502  26.661  10.390  1.405096       14.77297 
1 1 1 -12 -52 31 o 37.341  8.2706  229.528    72.960   254.946    105.496  206.225    101.013  34.726  11.091  31.084  10.869  3.642044       15.52850 
1 1 1 -12 -52 32 o 20.558  8.0491  63.965     58.353   63.537     90.783   64.266     76.173   21.349  9.3102  21.002  8.8241  0.3470097      12.82747 
1 1 1 -12 -52 33 f 24.384  9.5868  109.777    83.078   212.632    93.958   -258.7715  177.856  32.468  10.477  17.661  8.9030  14.80727       13.74883 
1 1 1 -12 -52 34 o 24.046  9.5812  105.495    84.017   63.255     96.529   237.490    170.637  21.501  9.4813  28.536  12.594  -7.035025      15.76372 
1 1 1 -12 -52 35 o 23.816  8.5689  97.309     63.173   57.868     93.497   130.442    85.693   21.138  9.3259  25.966  9.8605  -4.827629      13.57206 
1 1 1 -12 -52 36 o 15.078  6.8675  -5.4953    55.336   -43.5257   83.755   23.964     73.715   16.096  7.6824  18.363  8.1812  -2.266336      11.22277 
1 1 1 -12 -52 37 o 15.464  6.4992  20.152     41.344   44.892     114.211  16.422     44.352   21.225  9.7419  15.442  6.6193  5.782928       11.77791 
1 1 1 -12 -52 38 o 14.656  6.3280  11.453     41.095   -58.7849   91.115   29.390     46.044   16.208  7.8074  16.760  6.9366  -0.5514793     10.44375 
1 1 1 -12 -52 39 o 25.407  8.8581  114.109    67.075   145.015    94.206   82.331     95.525   26.784  10.298  22.577  9.6972  4.207249       14.14545 
1 1 1 -12 -52 40 o 22.517  9.7522  80.196     98.214   80.196     98.214   0.0000     0.0000   22.517  9.7522  ?       ?       0.000000       9.752244 
1 1 1 -12 -52 41 o 21.040  9.4281  50.588     99.412   50.588     99.412   0.0000     0.0000   21.040  9.4281  ?       ?       0.000000       9.428115 
1 1 1 -12 -52 42 o 10.582  5.1394  -55.7025   41.553   -113.9101  85.223   -37.5486   47.594   14.153  6.9736  12.369  5.8715  1.783230       9.116181 
1 1 1 -12 -52 43 o 27.031  9.4116  134.769    75.707   240.729    181.825  112.546    83.268   28.568  12.779  24.746  9.6355  3.821264       16.00483 
1 1 1 -12 -52 44 o 19.634  8.1238  50.464     63.123   -83.7799   179.100  69.505     67.452   20.369  10.050  21.313  8.5531  -0.9441643     13.19709 
1 1 1 -12 -52 45 o 17.338  7.6718  17.706     63.734   66.159     177.319  10.518     68.299   23.389  11.167  17.268  7.7701  6.120804       13.60442 
1 1 1 -12 -52 46 o 16.896  7.0265  29.319     47.570   80.742     178.192  25.373     49.361   23.716  11.288  16.699  7.0643  7.017101       13.31586 
1 1 1 -12 -52 47 o 14.007  6.2528  -0.0993    43.287   129.628    101.321  -29.0637   47.876   25.451  10.385  12.826  6.0273  12.62487       12.00708 
1 1 1 -12 -52 48 o 11.861  5.6095  -32.4485   42.687   29.008     103.962  -44.9107   46.815   20.158  9.2678  11.874  5.6877  8.284071       10.87389 
1 1 1 -12 -52 49 o 29.221  7.2183  134.298    50.880   152.186    115.026  129.947    56.732   26.240  10.920  27.938  7.9751  -1.698141      13.52247 
1 1 1 -12 -52 50 o 24.852  9.4261  116.659    78.252   0.0000     0.0000   116.659    78.252   ?       ?       24.852  9.4261  0.000000       9.426127 
1 1 1 -12 -52 51 o 22.996  8.9442  94.456     71.688   0.0000     0.0000   94.456     71.688   ?       ?       22.996  8.9442  0.000000       8.944162 
1 1 1 -12 -52 52 o 26.956  9.2232  139.272    72.570   122.229    236.993  141.035    76.231   23.738  11.684  26.814  9.4377  -3.075428      15.01933 
1 1 1 -12 -52 53 o 14.823  6.8307  -7.7188    56.918   -103.2033  141.553  10.697     62.166   17.689  8.7652  16.344  7.3780  1.345287       11.45706 
1 1 1 -12 -51 9  f 23.753  9.0300  105.243    71.917   94.631     99.876   116.671    103.640  22.623  9.8164  23.823  10.163  -1.199635      14.12951 
1 1 1 -12 -51 10 o 22.288  8.5554  85.006     64.950   44.027     102.481  112.515    83.966   20.435  9.3224  24.201  9.5986  -3.765301      13.38059 
1 1 1 -12 -51 11 o 23.201  8.4577  92.250     61.822   45.271     97.289   124.066    80.066   20.476  9.2381  25.474  9.5632  -4.997601      13.29648 
1 1 1 -12 -51 12 o 26.074  8.6696  119.301    64.125   109.737    103.272  125.303    81.806   24.108  10.209  25.662  9.6601  -1.553974      14.05526 
1 1 1 -12 -51 13 o 16.204  7.4932  -11.1389   69.382   -14.1623   96.188   -7.8598    100.174  18.128  8.5269  18.610  8.7367  -0.4810829     12.20816 
1 1 1 -12 -51 14 o 18.835  7.8899  41.684     60.600   141.003    98.121   -19.5612   77.051   26.480  10.416  16.535  7.7305  9.945383       12.97147 
1 1 1 -12 -51 15 o 35.306  8.0991  201.632    67.907   78.072     107.856  282.779    87.406   22.735  10.024  40.740  9.0747  -18.00556      13.52146 
1 1 1 -12 -51 16 o 16.639  7.4076  10.305     60.308   123.683    95.452   -65.0243   77.804   25.444  10.187  14.909  7.1895  10.53531       12.46892 
1 1 1 -12 -51 17 o 15.084  6.9495  -13.8465   58.873   -116.2272  92.666   55.448     76.236   14.840  7.3045  20.618  8.7538  -5.777262      11.40106 
1 1 1 -12 -51 18 o 16.009  7.2272  1.0430     59.656   35.922     94.025   -22.4572   77.179   20.262  9.1170  16.467  7.7109  3.794731       11.94061 
1 1 1 -12 -51 19 o 13.169  6.2966  -48.2267   56.797   -48.4506   83.898   -48.0374   77.170   16.041  7.6650  15.440  7.3706  0.6005926      10.63384 
1 1 1 -12 -51 20 o 30.011  8.3867  150.899    63.435   172.223    88.900   128.778    90.544   29.653  10.206  25.923  10.060  3.730576       14.33073 
1 1 1 -12 -51 21 o 37.339  8.0576  223.936    70.860   157.447    100.147  290.595    100.275  27.675  10.624  39.293  10.367  -11.61758      14.84389 
1 1 1 -12 -51 22 f 45.180  9.1958  347.697    97.380   306.366    108.904  512.572    217.513  39.299  10.991  37.278  15.214  2.021389       18.76845 
1 1 1 -12 -51 23 f 35.929  10.820  257.554    102.076  219.977    116.633  380.530    210.994  31.163  11.573  32.506  14.184  -1.343142      18.30636 
1 1 1 -12 -51 24 o 30.899  10.441  190.039    92.982   183.275    104.326  216.164    205.031  29.395  10.940  27.495  12.773  1.900127       16.81698 
1 1 1 -12 -51 25 o 16.292  7.6355  -24.0080   75.951   -28.2080   81.896   1.8098     203.047  16.635  7.8378  22.699  11.098  -6.063349      13.58667 
1 1 1 -12 -51 26 o 24.116  9.8965  103.523    92.679   89.454     102.871  164.159    213.565  23.304  10.037  26.158  12.423  -2.853844      15.97088 
1 1 1 -12 -51 27 o 21.074  9.2187  54.601     89.621   31.861     100.582  142.205    197.418  20.395  9.2774  25.687  12.123  -5.292259      15.26531 
1 1 1 -12 -51 28 f 23.903  9.9465  99.881     95.405   110.145    107.310  61.172     208.400  24.514  10.396  23.972  11.611  0.5419331      15.58470 
1 1 1 -12 -51 29 o 17.471  8.0749  -6.3172    80.407   94.005     96.856   -228.7658  144.226  23.555  9.9262  16.502  8.2793  7.052412       12.92584 
1 1 1 -12 -51 30 o 20.593  8.3269  60.208     64.457   101.491    93.340   22.575     89.118   24.027  9.9042  19.413  8.7922  4.614653       13.24372 
1 1 1 -12 -51 31 o 23.722  8.4018  93.264     60.505   41.303     90.472   135.308    81.382   20.424  9.0839  26.952  9.7223  -6.527739      13.30568 
1 1 1 -12 -51 32 o 24.827  8.5408  104.104    62.255   104.986    92.227   103.367    84.379   24.283  9.9078  24.222  9.6174  0.6085777E-01  13.80796 
1 1 1 -12 -51 33 o 19.106  7.7846  46.261     56.831   19.787     88.408   64.905     74.191   19.251  8.7343  21.263  8.8032  -2.011955      12.40099 
1 1 1 -12 -51 34 o 11.326  5.5228  -68.6793   49.336   -39.6072   75.032   -90.8215   65.482   15.600  7.3952  12.741  6.2447  2.859127       9.679111 
1 1 1 -12 -51 35 o 31.310  8.3281  162.018    64.371   224.862    98.680   115.469    84.928   33.577  10.727  25.160  9.7492  8.417229       14.49523 
1 1 1 -12 -51 36 o 12.670  5.8193  -15.2325   40.846   -77.4543   89.170   1.2907     45.951   15.612  7.5701  14.530  6.4674  1.082306       9.956580 
1 1 1 -12 -51 37 f 17.059  6.8621  33.309     43.529   47.619     89.249   28.843     49.862   20.720  9.1280  17.136  7.1656  3.584513       11.60460 
1 1 1 -12 -51 38 o 22.100  9.6409  67.989     97.412   67.989     97.412   0.0000     0.0000   22.100  9.6409  ?       ?       0.000000       9.640903 
1 1 1 -12 -51 39 f 26.114  10.442  133.412    100.130  133.412    100.130  0.0000     0.0000   26.114  10.442  ?       ?       0.000000       10.44176 
1 1 1 -12 -51 40 o 26.277  8.4539  116.444    61.210   196.251    127.989  92.778     69.697   29.072  11.741  23.509  8.9010  5.563032       14.73371 
1 1 1 -12 -51 41 o 23.738  7.3771  88.479     46.977   99.073     96.858   85.220     53.717   23.919  9.9934  23.043  7.9332  0.8761024      12.75946 
1 1 1 -12 -51 42 o 46.329  5.1974  294.467    57.418   352.245    115.681  275.580    66.140   42.506  11.097  43.512  6.4607  -1.006702      12.84073 
1 1 1 -12 -51 43 o 22.129  7.3119  75.758     45.639   3.9628     99.374   94.948     51.378   19.235  8.9205  24.343  7.7362  -5.107552      11.80783 
1 1 1 -12 -51 44 o 17.460  7.5427  23.750     58.450   99.498     103.875  -11.3465   70.705   24.032  10.211  16.462  7.5957  7.569695       12.72647 
1 1 1 -12 -51 45 o 10.366  5.1367  -93.8178   48.615   -106.0730  164.347  -92.6427   50.892   19.698  9.7016  10.746  5.3124  8.951706       11.06084 
1 1 1 -12 -51 46 o 27.379  9.2193  132.753    72.496   -34.8722   196.001  159.321    78.030   22.139  10.841  29.653  9.5456  -7.514271      14.44470 
1 1 1 -12 -51 47 o 19.864  8.3855  47.062     69.318   193.828    178.466  20.986     75.224   27.686  12.499  18.555  8.2659  9.130527       14.98523 
1 1 1 -12 -51 48 o 31.287  7.2011  149.974    53.533   319.262    119.683  107.634    59.855   39.102  11.702  25.419  8.3723  13.68265       14.38890 
1 1 1 -12 -51 49 o 18.806  7.5316  45.354     52.186   0.0000     0.0000   45.354     52.186   ?       ?       18.806  7.5316  0.000000       7.531643 
1 1 1 -12 -51 50 o 18.076  7.3616  38.756     50.797   0.0000     0.0000   38.756     50.797   ?       ?       18.076  7.3616  0.000000       7.361648 
1 1 1 -12 -51 51 o 30.019  9.9983  173.159    85.274   748.740    243.779  92.912     91.025   44.435  16.686  23.338  9.7138  21.09644       19.30738 
1 1 1 -12 -51 52 o 18.178  7.7918  33.022     61.450   76.871     145.177  23.451     67.825   23.123  10.744  17.967  7.9341  5.156080       13.35590 
1 1 1 -12 -51 53 o 29.125  9.0608  153.574    70.846   319.250    160.425  113.435    78.963   32.632  13.157  24.677  9.4427  7.954952       16.19474 
1 1 1 -12 -51 54 o 15.415  7.0533  -4.4363    59.232   165.276    135.267  -44.6983   65.885   25.998  11.350  14.211  6.7913  11.78622       13.22692 
1 1 1 -12 -50 6  o 28.283  10.876  183.921    105.067  149.320    302.342  188.673    112.051  24.333  12.176  28.119  11.109  -3.786566      16.48193 
1 1 1 -12 -50 7  o 24.602  10.523  123.413    111.659  306.821    308.573  95.779     119.775  26.755  13.200  23.232  10.384  3.523243       16.79449 
1 1 1 -12 -50 8  o 31.504  10.998  213.146    103.421  423.748    308.494  186.480    109.773  29.047  14.083  28.921  11.118  0.1258717      17.94280 
1 1 1 -12 -50 9  o 18.515  8.4575  10.937     84.696   -76.0691   288.893  19.119     88.588   23.060  11.589  19.141  8.7068  3.919165       14.49496 
1 1 1 -12 -50 10 f 22.258  9.4745  73.904     89.719   -5.6942    347.584  79.586     92.866   24.582  12.398  22.666  9.6434  1.916389       15.70723 
1 1 1 -12 -50 11 o 13.270  6.5492  -116.3466  76.206   -2.7675    316.207  -123.3502  78.520   24.528  12.300  13.338  6.5946  11.19070       13.95590 
1 1 1 -12 -50 12 o 33.264  9.8927  202.524    85.730   316.019    334.918  194.566    88.684   28.378  13.952  32.139  10.159  -3.761808      17.25851 
1 1 1 -12 -50 13 o 26.178  8.6352  115.557    63.664   90.432     99.325   133.077    82.942   23.613  10.007  26.920  9.7989  -3.306906      14.00547 
1 1 1 -12 -50 14 o 31.750  8.3833  165.347    65.537   396.209    104.322  14.833     84.234   48.787  9.1489  18.895  8.5537  29.89121       12.52470 
1 1 1 -12 -50 15 o 19.640  8.0032  49.423     60.079   7.9196     93.917   78.171     78.164   19.175  8.8134  22.481  9.1412  -3.306046      12.69789 
1 1 1 -12 -50 16 o 25.856  8.6550  112.986    63.890   75.101     99.664   139.416    83.244   22.713  9.8305  27.432  9.8400  -4.719542      13.90914 
1 1 1 -12 -50 17 o 18.379  7.6645  36.653     56.827   -30.1348   92.579   77.030     71.983   17.548  8.2877  22.280  8.8715  -4.732224      12.14035 
1 1 1 -12 -50 18 o 17.224  7.5368  17.994     59.938   -52.0079   93.345   67.105     78.186   16.846  8.0594  21.665  9.0089  -4.819365      12.08775 
1 1 1 -12 -50 19 o 18.737  7.7889  39.723     58.419   89.165     81.263   -13.1589   84.041   23.330  9.3789  17.566  8.1660  5.763411       12.43579 
1 1 1 -12 -50 20 f 24.055  8.3154  94.544     59.047   117.413    81.827   69.698     85.289   25.595  9.6557  22.056  9.3058  3.538628       13.41005 
1 1 1 -12 -50 21 o 13.589  6.4320  -39.2985   56.334   -80.0593   76.392   9.2894     83.405   14.379  6.9800  18.569  8.4474  -4.190488      10.95801 
1 1 1 -12 -50 22 o 25.211  8.3599  104.773    59.640   153.180    88.705   64.839     80.568   28.418  10.161  21.633  9.0815  6.784754       13.62818 
1 1 1 -12 -50 23 o 51.182  6.1700  372.675    75.080   391.417    109.336  355.951    103.281  47.584  9.7962  45.510  9.6522  2.074051       13.75251 
1 1 1 -12 -50 24 o 17.053  7.3517  20.560     55.297   -34.1501   78.587   74.209     77.821   16.282  7.6734  22.269  9.0954  -5.986471      11.89991 
1 1 1 -12 -50 25 o 18.130  7.5356  34.543     54.671   81.123     80.076   -6.1270    74.824   22.848  9.2662  17.208  7.8934  5.639856       12.17242 
1 1 1 -12 -50 26 o 18.053  8.0879  12.405     73.120   -1.1193    79.282   89.405     189.170  17.836  8.1606  25.009  11.822  -7.173115      14.36512 
1 1 1 -12 -50 27 o 41.060  10.699  312.992    107.666  192.905    124.177  676.648    216.092  29.708  11.708  48.356  15.907  -18.64778      19.75113 
1 1 1 -12 -50 28 o 21.874  9.3245  63.184     87.129   120.396    100.623  -108.2561  174.185  25.721  10.403  20.365  10.022  5.356432       14.44493 
1 1 1 -12 -50 29 o 46.143  9.9078  368.282    107.616  368.988    131.707  366.863    186.666  42.098  12.192  35.301  14.207  6.797089       18.72089 
1 1 1 -12 -50 30 o 25.554  9.9953  115.804    89.915   100.960    110.264  145.266    155.341  24.583  10.485  26.720  11.893  -2.137543      15.85432 
1 1 1 -12 -50 31 o 26.972  10.238  134.756    92.351   187.060    113.316  31.302     159.367  29.969  11.349  22.993  10.864  6.975121       15.71043 
1 1 1 -12 -50 32 o 28.812  9.8339  150.577    82.495   129.505    94.087   220.639    171.561  26.524  10.266  29.534  12.840  -3.009710      16.43966 
1 1 1 -12 -50 33 o 42.865  6.9597  270.668    69.905   197.290    103.170  332.949    95.049   31.436  10.985  45.075  9.0056  -13.63918      14.20423 
1 1 1 -12 -50 34 o 17.104  7.4417  17.472     57.708   51.213     86.879   -9.1686    77.199   21.170  9.1705  17.320  7.9716  3.849653       12.15093 
1 1 1 -12 -50 35 o 36.871  7.5510  207.758    65.282   240.227    98.566   182.385    87.133   35.702  10.605  31.466  10.083  4.235752       14.63311 
1 1 1 -12 -50 36 o 24.524  7.2135  92.194     45.788   52.016     93.670   104.809    52.486   21.479  9.4096  25.754  7.7590  -4.274908      12.19606 
1 1 1 -12 -50 37 o 18.656  8.6116  -2.8951    91.031   -2.8951    91.031   0.0000     0.0000   18.656  8.6116  ?       ?       0.000000       8.611578 
1 1 1 -12 -50 38 o 16.353  7.7971  -50.8157   85.847   -50.8157   85.847   0.0000     0.0000   16.353  7.7971  ?       ?       0.000000       7.797140 
1 1 1 -12 -50 39 o 50.068  5.0417  339.124    60.415   353.732    111.959  333.122    71.760   43.981  10.613  48.326  6.2673  -4.345615      12.32540 
1 1 1 -12 -50 40 o 18.451  6.4306  47.556     35.348   42.378     90.310   48.492     38.412   20.758  9.1615  18.668  6.6855  2.090261       11.34143 
1 1 1 -12 -50 41 o 15.206  6.4211  16.165     40.661   -104.7836  91.577   45.864     45.379   15.198  7.4357  18.639  7.1521  -3.440404      10.31704 
1 1 1 -12 -50 42 o 15.765  6.5692  20.880     41.695   103.776    95.622   1.4185     46.332   24.558  10.062  14.680  6.5163  9.877673       11.98791 
1 1 1 -12 -50 43 o 21.038  7.2566  66.160     44.955   39.899     98.055   73.149     50.585   20.974  9.3834  21.864  7.6887  -0.8894749     12.13109 
1 1 1 -12 -50 44 o 23.921  7.5324  89.288     48.795   37.285     103.421  104.178    55.342   21.098  9.5210  25.442  8.0231  -4.344206      12.45073 
1 1 1 -12 -50 45 o 28.051  7.2441  120.664    49.650   53.633     103.797  140.552    56.537   21.890  9.7333  29.900  7.7344  -8.010063      12.43214 
1 1 1 -12 -50 46 o 21.679  8.6167  68.980     67.799   88.005     175.917  65.661     73.475   24.823  11.629  21.571  8.8271  3.252316       14.60004 
1 1 1 -12 -50 47 o 20.592  8.4362  55.639     67.208   126.910    158.622  40.046     74.197   25.967  11.748  19.820  8.5304  6.147051       14.51856 
1 1 1 -12 -50 48 o 32.927  10.259  201.315    90.781   0.0000     0.0000   201.315    90.781   ?       ?       32.927  10.259  0.000000       10.25882 
1 1 1 -12 -50 49 o 29.867  7.9385  141.559    58.516   0.0000     0.0000   141.559    58.516   ?       ?       29.867  7.9385  0.000000       7.938505 
1 1 1 -12 -50 50 o 45.639  5.6898  289.585    61.640   426.375    144.892  259.358    68.110   44.399  12.767  41.944  6.9347  2.455383       14.52901 
1 1 1 -12 -50 51 o 21.379  7.4835  68.953     47.895   214.236    101.083  26.893     54.388   32.899  10.882  17.481  7.4064  15.41788       13.16355 
1 1 1 -12 -50 52 f 22.661  7.3292  79.143     45.960   9.7490     98.704   98.354     51.934   19.576  9.0115  24.861  7.7616  -5.284878      11.89325 
1 1 1 -12 -50 53 o 21.093  8.4306  64.858     65.244   45.248     153.924  69.153     72.036   22.834  10.754  21.612  8.7801  1.222002       13.88323 
1 1 1 -12 -50 54 o 21.713  8.5678  73.128     66.579   227.725    158.970  40.242     73.319   29.199  12.525  19.496  8.4350  9.702549       15.10017 
1 1 1 -12 -50 55 o 15.566  7.1007  -4.9446    59.447   -38.2326   139.135  2.4892     65.751   19.684  9.5223  16.581  7.5264  3.103136       12.13758 
1 1 1 -12 -49 4  o 29.966  10.931  196.746    103.290  -353.3869  312.976  263.987    109.420  ?       ?       34.795  11.313  0.000000       11.31322 
1 1 1 -12 -49 5  o 22.450  9.6099  78.812     93.239   -100.0513  301.275  97.758     98.053   22.931  11.563  23.629  9.9740  -0.6978130     15.27034 
1 1 1 -12 -49 6  o 18.138  8.6373  -35.4849   104.631  0.0000     0.0000   -35.4849   104.631  ?       ?       18.138  8.6373  0.000000       8.637311 
1 1 1 -12 -49 7  o 12.254  6.1499  -179.6310  79.909   -576.3660  269.021  -141.2391  83.686   ?       ?       13.474  6.6876  0.000000       6.687613 
1 1 1 -12 -49 8  o 34.180  11.554  245.094    113.861  278.092    297.911  239.449    123.215  28.645  13.877  32.849  11.945  -4.204594      18.30985 
1 1 1 -12 -49 9  o 17.670  8.2025  -14.3748   84.305   -286.6603  303.004  8.4721     87.771   22.209  11.241  18.961  8.6410  3.248096       14.17818 
1 1 1 -12 -49 10 o 32.279  11.366  214.580    110.584  545.356    349.674  177.822    116.566  32.470  15.551  29.220  11.394  3.249290       19.27845 
1 1 1 -12 -49 11 o 36.505  10.902  255.260    103.958  528.081    345.644  228.126    109.005  32.361  15.489  33.557  11.305  -1.195965      19.17580 
1 1 1 -12 -49 12 o 25.353  10.014  112.833    91.026   0.0000     0.0000   112.833    91.026   ?       ?       25.353  10.014  0.000000       10.01360 
1 1 1 -12 -49 13 o 17.599  7.9739  2.8075     73.381   -14.8178   215.717  5.1139     78.035   23.432  11.453  18.098  8.2090  5.334476       14.09117 
1 1 1 -12 -49 14 o 18.501  8.1864  20.122     72.563   -243.0636  210.576  55.584     77.297   19.900  9.9866  21.039  8.8669  -1.139204      13.35489 
1 1 1 -12 -49 15 o 13.929  6.7228  -69.1725   68.401   386.041    279.089  -98.2639   70.553   31.396  14.690  13.231  6.4845  18.16510       16.05712 
1 1 1 -12 -49 16 o 34.286  9.2830  200.942    79.124   -161.4072  285.219  231.153    82.356   23.029  11.566  37.041  9.2039  -14.01223      14.78095 
1 1 1 -12 -49 17 o 15.871  7.2448  -9.3983    62.021   13.519     255.617  -10.8319   63.932   24.692  12.149  15.995  7.3219  8.697191       14.18504 
1 1 1 -12 -49 18 o 25.518  9.1149  109.948    71.357   158.715    211.311  103.672    75.810   27.191  12.741  24.838  9.3093  2.352350       15.77953 
1 1 1 -12 -49 19 o 23.531  8.0352  86.856     55.077   100.324    82.759   76.149     73.792   24.544  9.5923  22.540  8.9799  2.003990       13.13965 
1 1 1 -12 -49 20 o 14.211  6.5547  -19.6792   52.590   -40.3957   83.126   -5.8540    67.907   16.598  7.8432  16.715  7.6110  -0.1174488     10.92902 
1 1 1 -12 -49 21 o 26.186  8.5859  112.090    62.973   86.056     93.189   133.970    85.431   23.710  9.8453  27.391  9.9488  -3.681133      13.99675 
1 1 1 -12 -49 22 o 23.708  8.2703  88.148     58.472   136.426    87.322   48.906     78.728   27.590  10.053  20.848  8.8747  6.742331       13.40954 
1 1 1 -12 -49 23 o 22.827  8.2476  79.724     58.601   13.227     84.759   140.618    81.110   19.194  8.6445  28.297  9.7479  -9.102507      13.02883 
1 1 1 -12 -49 24 o 17.818  7.4088  30.087     52.875   82.797     77.322   -16.2119   72.466   23.336  9.2252  16.718  7.7053  6.618109       12.01987 
1 1 1 -12 -49 25 o 22.652  8.3203  77.396     59.992   92.638     77.703   54.901     94.396   24.180  9.3376  22.044  9.5542  2.135824       13.35936 
1 1 1 -12 -49 26 o 17.264  7.4919  16.408     58.188   32.229     76.987   -4.6723    88.866   19.809  8.6070  18.728  8.5948  1.081633       12.16351 
1 1 1 -12 -49 27 o 30.395  8.4333  147.485    64.383   163.428    89.497   130.384    92.691   30.140  10.243  27.188  10.272  2.951590       14.50613 
1 1 1 -12 -49 28 o 32.606  8.2541  166.908    65.364   142.745    92.176   191.347    92.702   28.240  10.322  32.526  10.397  -4.285496      14.65124 
1 1 1 -12 -49 29 o 36.071  9.3580  216.086    82.605   165.495    96.089   359.358    161.703  30.006  10.592  38.892  13.739  -8.885262      17.34832 
1 1 1 -12 -49 30 o 23.545  9.5960  81.098     86.390   147.554    105.647  -53.0189   150.083  28.259  10.895  20.992  10.089  7.267437       14.84895 
1 1 1 -12 -49 31 o 25.377  9.9702  105.614    89.794   153.153    110.531  13.347     153.987  28.542  11.105  22.974  10.800  5.568470       15.49076 
1 1 1 -12 -49 32 o 19.547  8.7558  15.982     85.656   -23.0738   105.275  92.480     147.336  19.246  9.0102  25.457  11.438  -6.211241      14.56033 
1 1 1 -12 -49 33 o 27.146  10.328  129.428    94.124   38.472     116.319  301.945    160.196  22.311  10.080  35.446  13.477  -13.13484      16.82952 
1 1 1 -12 -49 34 o 19.336  8.0429  39.009     62.345   159.183    110.204  -17.5539   75.606   28.922  11.134  17.028  7.8561  11.89319       13.62638 
1 1 1 -12 -49 35 o 18.636  7.8858  30.863     61.535   5.1381     89.869   53.570     84.433   19.280  8.7699  21.591  9.1908  -2.311319      12.70362 
1 1 1 -12 -49 36 o 17.018  8.0330  -41.8273   86.761   -41.8273   86.761   0.0000     0.0000   17.018  8.0330  ?       ?       0.000000       8.032969 
1 1 1 -12 -49 37 o 14.767  7.1739  -90.7171   81.106   -90.7171   81.106   0.0000     0.0000   14.767  7.1739  ?       ?       0.000000       7.173873 
1 1 1 -12 -49 38 o 13.846  6.3323  -15.4903   47.667   -5.6876    83.248   -20.2720   58.142   18.201  8.3404  14.949  6.8940  3.252329       10.82081 
1 1 1 -12 -49 39 o 25.417  6.9016  96.134     43.660   20.780     95.895   115.838    49.037   20.314  9.1675  27.717  7.2197  -7.403048      11.66902 
1 1 1 -12 -49 40 o 16.909  6.7119  31.365     41.086   85.003     95.104   19.057     45.557   23.777  9.9156  16.141  6.8052  7.635834       12.02618 
1 1 1 -12 -49 41 o 11.547  5.2607  -12.7768   32.499   37.698     93.096   -19.7815   34.681   20.940  9.2687  11.443  5.2938  9.496890       10.67391 
1 1 1 -12 -49 42 o 16.326  6.3259  30.552     35.756   40.057     94.471   28.963     38.630   21.104  9.3392  16.401  6.5088  4.702721       11.38355 
1 1 1 -12 -49 43 o 12.745  5.8253  -14.6663   40.263   73.664     93.922   -34.5537   44.566   22.948  9.7282  12.235  5.7699  10.71263       11.31058 
1 1 1 -12 -49 44 o 12.906  5.8866  -13.6130   40.840   -135.7658  95.902   13.446     45.137   14.935  7.3665  15.572  6.6765  -0.6368580     9.941865 
1 1 1 -12 -49 45 o 15.689  6.6453  16.651     43.764   -1.7758    104.345  20.584     48.210   19.733  9.1477  16.507  6.9822  3.225401       11.50789 
1 1 1 -12 -49 46 o 25.114  7.9837  99.646     54.714   0.0000     0.0000   99.646     54.714   ?       ?       25.114  7.9837  0.000000       7.983654 
1 1 1 -12 -49 47 o 18.476  8.0829  22.480     68.906   0.0000     0.0000   22.480     68.906   ?       ?       18.476  8.0829  0.000000       8.082928 
1 1 1 -12 -49 48 o 19.354  8.3190  34.126     70.395   0.0000     0.0000   34.126     70.395   ?       ?       19.354  8.3190  0.000000       8.319036 
1 1 1 -12 -49 49 o 28.554  9.3431  140.068    74.584   181.252    160.449  128.715    84.239   28.623  12.431  27.015  9.8689  1.608210       15.87206 
1 1 1 -12 -49 50 o 47.048  5.3214  300.856    59.679   422.497    114.665  255.662    69.892   50.168  9.7712  41.608  7.1824  8.559494       12.12695 
1 1 1 -12 -49 51 o 34.921  6.5365  175.923    53.349   195.947    105.290  169.007    61.881   31.578  11.093  33.049  7.8358  -1.470978      13.58164 
1 1 1 -12 -49 52 o 16.844  6.8462  28.706     43.821   -126.2825  94.575   71.077     49.449   15.050  7.4024  21.799  7.6054  -6.748304      10.61312 
1 1 1 -12 -49 53 o 35.569  6.5908  183.492    54.787   220.899    110.976  171.436    62.999   32.943  11.399  33.100  7.9449  -0.1571922     13.89469 
1 1 1 -12 -49 54 o 77.354  6.2940  848.173    117.110  1973.07    234.314  473.609    135.208  110.959 8.7746  50.128  11.377  60.83045       14.36746 
1 1 1 -12 -49 55 o 11.995  5.9043  -97.0671   60.578   -197.2141  149.779  -77.4812   66.237   17.521  8.7367  13.342  6.4819  4.179001       10.87867 
1 1 1 -12 -49 56 o 25.578  9.0996  114.347    71.049   86.534     182.649  119.306    77.124   24.427  11.568  25.804  9.4404  -1.376671      14.93104 
1 1 1 -12 -49 57 o 16.555  7.4586  5.3170     63.166   -85.2218   176.605  18.598     67.641   20.290  10.006  17.714  7.8677  2.575478       12.72840 
1 1 1 -12 -48 2  o 16.678  7.4579  9.0965     61.861   135.410    86.422   -123.6271  88.588   26.564  9.9427  14.257  7.0410  12.30625       12.18332 
1 1 1 -12 -48 3  o 14.812  6.8907  -22.7851   60.010   -12.5255   87.698   -31.8187   82.292   17.845  8.3111  16.630  7.8417  1.215782       11.42656 
1 1 1 -12 -48 4  o 16.506  7.4007  3.6353     61.356   49.683     93.045   -31.7938   81.615   21.272  9.3469  16.676  7.8471  4.595776       12.20415 
1 1 1 -12 -48 5  o 11.436  5.6408  -97.3467   56.241   -68.9375   83.713   -120.7180  75.928   15.592  7.5039  13.237  6.5336  2.355059       9.949686 
1 1 1 -12 -48 6  o 27.230  9.0422  125.134    69.763   136.338    97.412   113.337    99.957   27.182  10.467  25.526  10.353  1.656540       14.72165 
1 1 1 -12 -48 7  o 27.402  9.1417  126.891    71.277   212.322    101.612  44.134     100.009  33.278  10.906  21.597  9.5807  11.68111       14.51664 
1 1 1 -12 -48 8  o 24.837  8.8500  100.061    67.230   -8.0851    100.905  186.395    90.156   19.349  8.9789  31.998  10.256  -12.64908      13.63133 
1 1 1 -12 -48 9  o 10.969  5.4393  -107.5784  54.863   -235.9978  84.310   -13.2570   72.255   11.822  5.9781  16.814  7.7288  -4.991493      9.771023 
1 1 1 -12 -48 10 o 19.479  8.1328  41.114     64.089   50.421     104.025  35.420     81.365   22.080  9.7843  20.156  8.8013  1.924553       13.16033 
1 1 1 -12 -48 11 o 24.799  8.7933  99.882     66.294   95.147     101.894  103.357    87.296   24.456  10.237  24.910  9.8166  -0.4544334     14.18278 
1 1 1 -12 -48 12 o 26.773  8.7827  118.382    65.891   61.097     96.070   169.266    90.544   22.328  9.6579  30.319  10.303  -7.991089      14.12157 
1 1 1 -12 -48 13 o 26.966  9.8222  127.467    83.355   71.485     217.452  137.110    90.249   25.580  12.254  27.560  10.191  -1.980453      15.93825 
1 1 1 -12 -48 14 o 13.706  6.5220  -48.7814   59.422   -139.8126  237.522  -42.7035   61.374   22.504  11.186  14.223  6.7267  8.281053       13.05275 
1 1 1 -12 -48 15 o 17.200  7.6279  8.7166     63.346   -183.2610  265.755  20.281     65.226   22.811  11.414  18.115  7.8960  4.695854       13.87928 
1 1 1 -12 -48 16 o 18.363  8.1566  13.794     72.717   207.024    265.018  -1.9379    75.619   28.902  13.758  17.748  8.0622  11.15338       15.94648 
1 1 1 -12 -48 17 o 34.981  10.208  216.875    92.023   448.515    217.444  166.336    101.567  38.283  15.359  29.721  10.840  8.561966       18.79899 
1 1 1 -12 -48 18 o 29.742  9.7969  153.541    81.956   39.335     207.166  174.731    89.236   25.137  12.021  31.276  10.219  -6.139059      15.77744 
1 1 1 -12 -48 19 o 26.082  9.7267  113.083    82.559   165.992    191.357  100.982    91.514   28.541  12.909  25.114  10.002  3.426487       16.33022 
1 1 1 -12 -48 20 o 18.660  8.2855  13.100     74.961   39.746     181.729  7.6372     82.288   24.784  11.677  18.954  8.5287  5.830492       14.45973 
1 1 1 -12 -48 21 o 17.172  7.7560  -3.9150    68.796   60.511     178.463  -15.1599   74.558   25.393  11.836  17.158  7.8738  8.234783       14.21591 
1 1 1 -12 -48 22 o 31.785  9.3865  167.133    77.394   173.917    192.411  165.823    84.534   29.265  13.115  31.115  9.9270  -1.850637      16.44814 
1 1 1 -12 -48 23 o 34.436  7.6768  177.142    62.508   204.931    92.067   153.378    85.139   34.409  10.256  29.947  9.9912  4.462030       14.31819 
1 1 1 -12 -48 24 o 39.849  7.3226  231.143    68.193   300.094    92.175   147.773    101.355  43.764  8.9813  28.930  10.779  14.83444       14.03068 
1 1 1 -12 -48 25 o 19.698  7.8264  45.434     55.912   129.492    71.944   -82.7581   88.846   28.307  9.1714  16.033  7.7195  12.27429       11.98769 
1 1 1 -12 -48 26 o 55.419  5.7747  416.591    76.512   441.783    103.551  386.301    113.546  54.535  8.0692  48.706  9.9443  5.828880       12.80630 
1 1 1 -12 -48 27 o 17.676  7.5700  18.901     57.907   50.815     80.962   -14.5236   82.856   21.668  9.1002  18.124  8.3109  3.543903       12.32417 
1 1 1 -12 -48 28 o 16.214  7.0497  8.2549     51.722   10.837     79.749   6.3800     67.952   19.152  8.5229  17.834  7.9051  1.318043       11.62461 
1 1 1 -12 -48 29 f 16.245  7.0716  7.9017     52.168   -94.8656   83.445   73.842     66.842   15.127  7.3321  22.894  8.7050  -7.766566      11.38147 
1 1 1 -12 -48 30 o 32.005  7.9869  154.756    61.826   164.599    91.037   146.329    84.229   30.949  10.332  29.568  9.9374  1.380373       14.33507 
1 1 1 -12 -48 31 o 14.855  6.7874  -17.7719   54.597   -69.5708   82.292   22.956     72.970   15.844  7.5764  19.328  8.3885  -3.484262      11.30352 
1 1 1 -12 -48 32 o 22.900  9.5507  63.507     88.245   38.173     109.079  111.496    150.126  22.502  9.9928  27.135  11.899  -4.632626      15.53848 
1 1 1 -12 -48 33 o 18.231  8.3585  -14.2504   83.755   21.578     102.835  -84.8463   144.352  21.350  9.5765  20.378  9.8187  0.9720783      13.71551 
1 1 1 -12 -48 34 o 44.933  12.473  386.226    140.802  386.226    140.802  0.0000     0.0000   44.933  12.473  ?       ?       0.000000       12.47289 
1 1 1 -12 -48 35 o 32.086  11.990  200.324    125.586  200.324    125.586  0.0000     0.0000   32.086  11.990  ?       ?       0.000000       11.99042 
1 1 1 -12 -48 36 o 29.016  11.584  153.526    123.034  153.526    123.034  0.0000     0.0000   29.016  11.584  ?       ?       0.000000       11.58415 
1 1 1 -12 -48 37 o 18.992  7.1014  45.945     44.064   52.718     91.366   43.893     50.301   22.242  9.5166  19.160  7.4810  3.082012       12.10499 
1 1 1 -12 -48 38 o 38.080  5.2701  195.099    47.388   245.020    108.609  183.360    52.666   36.545  11.194  36.236  6.2136  0.3091469      12.80292 
1 1 1 -12 -48 39 o 23.767  6.5604  81.495     39.073   43.399     101.464  88.128     42.338   22.132  9.7419  24.571  6.8463  -2.439482      11.90699 
1 1 1 -12 -48 40 o 17.983  6.3524  42.619     34.566   -14.1980   99.917   50.343     36.841   19.364  8.9677  19.165  6.5715  0.1993389      11.11775 
1 1 1 -12 -48 41 o 19.801  6.7453  54.694     38.813   239.915    101.988  23.326     41.971   36.455  10.778  16.281  6.6681  20.17409       12.67391 
1 1 1 -12 -48 42 o 20.241  6.5127  58.085     36.326   67.115     96.621   56.599     39.201   23.054  9.8231  20.050  6.7793  3.003498       11.93528 
1 1 1 -12 -48 43 o 16.549  6.3528  31.548     35.813   -16.7582   95.594   39.435     38.626   18.816  8.7345  17.747  6.6462  1.069685       10.97554 
1 1 1 -12 -48 44 f 21.281  7.1575  65.755     43.696   23.276     92.275   78.034     49.611   20.361  9.1063  22.816  7.6269  -2.455257      11.87827 
1 1 1 -12 -48 45 o 14.916  6.6185  -0.2469    47.757   0.0000     0.0000   -0.2469    47.757   ?       ?       14.916  6.6185  0.000000       6.618464 
1 1 1 -12 -48 46 o 25.011  8.0566  97.551     55.578   0.0000     0.0000   97.551     55.578   ?       ?       25.011  8.0566  0.000000       8.056556 
1 1 1 -12 -48 47 o 36.375  7.8144  201.577    66.913   0.0000     0.0000   201.577    66.913   ?       ?       36.375  7.8144  0.000000       7.814396 
1 1 1 -12 -48 48 o 28.997  9.0081  139.452    70.052   139.041    126.943  139.632    84.001   27.314  11.429  28.228  9.9089  -0.9137936     15.12613 
1 1 1 -12 -48 49 o 28.592  9.1656  136.780    71.998   96.898     142.282  150.507    83.474   25.447  11.350  29.284  9.8925  -3.837236      15.05572 
1 1 1 -12 -48 50 o 12.337  5.9553  -63.7446   53.716   74.345     113.951  -103.1965  60.908   23.839  10.412  11.979  5.9010  11.85994       11.96831 
1 1 1 -12 -48 51 o 13.189  6.0151  -14.6198   42.633   -66.2030   118.059  -6.8844    45.718   18.742  8.9919  14.175  6.3697  4.566480       11.01946 
1 1 1 -12 -48 52 o 8.4470  4.2312  -95.3576   36.949   -163.1730  92.030   -82.3259   40.343   14.058  6.9836  9.4825  4.6954  4.575893       8.415311 
1 1 1 -12 -48 53 o 16.707  6.9396  23.723     46.318   -60.5745   98.052   47.937     52.551   17.370  8.2962  19.504  7.6379  -2.134474      11.27672 
1 1 1 -12 -48 54 o 12.216  5.6922  -25.9952   41.218   65.933     96.995   -46.2541   45.534   22.797  9.7810  11.838  5.6538  10.95952       11.29752 
1 1 1 -12 -48 55 o 51.079  7.8871  395.808    94.604   809.274    210.923  291.684    105.847  59.867  14.642  40.089  10.687  19.77763       18.12691 
1 1 1 -12 -48 56 o 17.948  7.9533  14.464     68.732   83.686     158.130  -1.6596    76.318   24.781  11.407  17.699  8.0626  7.082037       13.96855 
1 1 1 -12 -48 57 o 16.728  7.5183  3.2250     63.724   -61.2128   178.583  12.627     68.215   21.413  10.456  17.688  7.8761  3.724846       13.09075 
1 1 1 -12 -48 58 o 19.198  8.1785  39.397     66.952   0.0115     185.771  45.277     71.775   22.550  10.932  19.868  8.4662  2.681635       13.82732 
1 1 1 -12 -47 1  o 16.845  7.5561  4.7043     64.028   -112.0608  88.463   133.174    92.791   14.732  7.2283  26.777  10.239  -12.04489      12.53301 
1 1 1 -12 -47 2  o 15.558  7.1374  -14.3355   61.197   4.7763     85.302   -34.6037   87.845   18.731  8.5294  17.244  8.1223  1.487289       11.77805 
1 1 1 -12 -47 3  o 24.795  9.0007  99.799     69.908   145.525    96.568   49.448     101.335  28.104  10.512  21.987  9.7043  6.116493       14.30643 
1 1 1 -12 -47 4  o 23.752  8.6924  87.814     65.393   30.433     98.254   133.445    87.617   20.994  9.3926  27.545  10.065  -6.551268      13.76647 
1 1 1 -12 -47 5  f 21.318  8.5128  60.479     66.456   34.477     94.650   85.761     93.330   21.055  9.3313  24.001  9.8997  -2.945850      13.60432 
1 1 1 -12 -47 6  o 19.485  8.0809  40.352     62.672   46.971     88.551   33.709     88.713   21.439  9.2728  20.695  9.1092  0.7448006      12.99860 
1 1 1 -12 -47 7  f 18.051  7.8387  19.857     63.787   -22.6978   92.267   58.816     88.282   18.275  8.5158  22.118  9.4062  -3.842810      12.68844 
1 1 1 -12 -47 8  o 52.960  6.3156  393.874    79.556   554.626    124.058  281.592    103.682  59.295  8.8972  39.783  10.564  19.51263       13.81132 
1 1 1 -12 -47 9  o 26.458  8.6567  112.937    64.029   155.270    100.537  84.051     83.050   28.941  10.745  23.654  9.4913  5.286215       14.33689 
1 1 1 -12 -47 10 o 49.708  6.4102  348.613    75.513   279.233    113.915  402.997    100.855  38.258  11.409  51.063  8.4345  -12.80476      14.18856 
1 1 1 -12 -47 11 o 18.168  7.6343  29.183     57.026   -69.0262   89.610   96.025     73.927   16.357  7.8442  24.584  9.1971  -8.226898      12.08791 
1 1 1 -12 -47 12 o 40.592  6.9194  238.190    65.707   233.253    102.681  241.613    85.505   35.568  10.882  38.419  9.2773  -2.850456      14.30024 
1 1 1 -12 -47 13 o 19.154  7.5858  43.761     52.373   32.546     88.275   49.853     65.061   20.681  9.0954  20.451  8.3304  0.2302685      12.33373 
1 1 1 -12 -47 14 o 17.598  7.3277  26.870     51.829   120.307    94.486   -13.3456   61.988   26.671  10.298  15.903  7.2530  10.76846       12.59545 
1 1 1 -12 -47 15 o 27.643  7.9081  117.120    55.721   102.162    86.285   127.820    72.979   25.376  9.8285  27.926  9.2470  -2.549561      13.49468 
1 1 1 -12 -47 16 o 13.938  6.3744  -17.5236   48.299   -38.1711   71.300   -0.0140    65.659   15.802  7.4032  17.142  7.6730  -1.340067      10.66218 
1 1 1 -12 -47 17 o 19.862  7.7004  48.925     53.005   98.238     72.292   -8.4062    77.948   25.176  9.1507  17.938  8.1625  7.238214       12.26223 
1 1 1 -12 -47 18 o 48.416  8.9187  361.769    100.914  412.756    211.244  346.693    114.868  39.414  15.347  45.225  10.645  -5.810551      18.67728 
1 1 1 -12 -47 19 o 32.555  9.7596  175.099    83.191   95.107     201.514  191.533    91.338   27.585  12.761  33.568  10.263  -5.982924      16.37586 
1 1 1 -12 -47 20 o 26.708  9.6448  112.752    80.121   409.074    186.768  45.921     88.697   41.861  14.768  21.942  9.3821  19.91820       17.49642 
1 1 1 -12 -47 21 o 29.860  9.6976  145.129    80.408   234.959    184.557  124.083    89.332   32.931  13.780  27.692  10.156  5.238901       17.11784 
1 1 1 -12 -47 22 o 20.108  8.4205  36.562     68.994   -147.4869  170.338  72.682     75.461   20.805  10.171  23.287  9.1427  -2.481886      13.67592 
1 1 1 -12 -47 23 o 25.583  9.2997  98.562     74.669   -111.5186  175.122  145.243    82.550   21.864  10.603  29.910  9.8314  -8.046799      14.45963 
1 1 1 -12 -47 24 o 12.110  5.9445  -101.1545  60.029   0.0052     157.743  -118.2853  64.914   23.895  11.134  12.272  6.0545  11.62249       12.67410 
1 1 1 -12 -47 25 o 20.084  8.2653  39.249     64.873   3.4360     156.320  46.701     71.302   23.985  11.146  21.119  8.6751  2.866520       14.12389 
1 1 1 -12 -47 26 o 41.635  6.6523  240.574    64.941   166.122    94.620   306.878    89.292   31.517  10.533  45.538  8.3903  -14.02147      13.46617 
1 1 1 -12 -47 27 o 37.759  7.3075  203.419    64.530   194.926    93.467   211.154    89.201   34.299  10.359  36.228  9.8765  -1.928352      14.31259 
1 1 1 -12 -47 28 o 46.382  6.0879  291.679    66.860   295.055    98.111   288.752    91.359   43.506  9.5554  43.670  8.9234  -0.1633606     13.07411 
1 1 1 -12 -47 29 o 24.144  8.1745  84.307     56.999   21.722     84.696   136.117    77.061   20.505  8.9661  29.390  9.4888  -8.884354      13.05482 
1 1 1 -12 -47 30 o 19.618  7.8182  41.262     55.951   51.209     84.116   33.367     74.932   22.301  9.3147  20.475  8.6851  1.825611       12.73560 
1 1 1 -12 -47 31 o 51.758  5.6111  356.910    69.339   305.486    105.911  395.486    91.730   43.602  10.194  52.925  7.3408  -9.323349      12.56168 
1 1 1 -12 -47 32 o 44.167  6.4508  268.046    67.093   294.801    101.693  247.423    89.281   43.078  9.9324  39.876  9.3838  3.201752       13.66409 
1 1 1 -12 -47 33 o 31.402  10.621  165.193    96.230   165.193    96.230   0.0000     0.0000   31.402  10.621  ?       ?       0.000000       10.62149 
1 1 1 -12 -47 34 f 22.737  10.034  34.773     108.328  34.773     108.328  0.0000     0.0000   22.737  10.034  ?       ?       0.000000       10.03440 
1 1 1 -12 -47 35 o 14.813  6.6730  -11.4200   50.543   4.5484     106.207  -16.0952   57.467   21.166  9.5911  15.464  7.0260  5.701759       11.88922 
1 1 1 -12 -47 36 o 20.066  7.8620  46.907     55.702   83.100     114.447  35.672     63.764   25.466  10.764  19.692  8.1577  5.773369       13.50588 
1 1 1 -12 -47 37 o 40.415  6.3869  225.513    60.550   239.785    131.710  221.689    68.183   35.395  12.409  39.257  7.4302  -3.861603      14.46324 
1 1 1 -12 -47 38 o 28.722  5.8811  113.531    39.607   73.892     93.801   122.131    43.693   24.071  9.9261  29.585  6.2808  -5.514755      11.74632 
1 1 1 -12 -47 39 o 39.080  5.0980  202.518    47.190   282.794    105.141  182.267    52.808   41.109  10.502  36.328  6.2144  4.781471       12.20321 
1 1 1 -12 -47 40 o 35.740  5.6093  172.972    47.043   245.379    109.866  156.717    52.056   37.100  11.237  33.289  6.6770  3.810463       13.07087 
1 1 1 -12 -47 41 o 49.053  4.6235  313.923    54.381   328.267    116.072  309.889    61.554   43.620  10.976  48.173  5.3568  -4.552868      12.21322 
1 1 1 -12 -47 42 o 10.075  4.7558  -29.0345   30.414   36.936     95.026   -36.5636   32.102   21.671  9.4860  9.9737  4.7590  11.69736       10.61281 
1 1 1 -12 -47 43 o 19.381  6.6162  51.198     37.342   32.808     91.343   54.889     40.917   21.158  9.2798  19.993  6.9215  1.165199       11.57676 
1 1 1 -12 -47 44 o 17.927  6.6801  39.841     38.925   0.0000     0.0000   39.841     38.925   ?       ?       17.927  6.6801  0.000000       6.680139 
1 1 1 -12 -47 45 o 22.842  6.9836  76.005     42.295   0.0000     0.0000   76.005     42.295   ?       ?       22.842  6.9836  0.000000       6.983618 
1 1 1 -12 -47 46 o 18.646  7.2194  41.938     46.542   -149.4499  139.816  65.788     49.356   18.406  9.0422  21.463  7.5897  -3.056921      11.80532 
1 1 1 -12 -47 47 o 47.686  5.1824  304.478    58.998   332.665    115.909  294.621    68.542   43.179  11.025  45.900  6.3221  -2.721195      12.70890 
1 1 1 -12 -47 48 o 27.447  7.1249  111.582    47.866   103.818    95.383   114.196    55.338   25.472  10.189  27.245  7.9064  -1.772511      12.89686 
1 1 1 -12 -47 49 o 49.038  6.8939  344.269    79.764   394.695    118.070  301.934    108.183  48.150  10.409  41.411  10.693  6.738567       14.92274 
1 1 1 -12 -47 50 o 21.594  8.8854  57.590     74.958   0.0000     0.0000   57.590     74.958   ?       ?       21.594  8.8854  0.000000       8.885380 
1 1 1 -12 -47 51 o 37.374  8.8579  222.064    79.100   203.190    144.809  230.090    94.432   31.017  12.502  36.393  10.255  -5.376755      16.16977 
1 1 1 -12 -47 52 o 9.6503  4.7565  -75.2732   39.743   197.884    112.106  -114.5390  42.504   32.116  11.430  8.8964  4.4676  23.22001       12.27190 
1 1 1 -12 -47 53 o 18.157  7.1019  38.183     45.393   252.699    98.072   -20.3017   51.208   38.240  10.327  14.158  6.5075  24.08188       12.20646 
1 1 1 -12 -47 54 o 21.417  7.5885  65.554     49.364   93.788     104.534  57.451     56.001   24.991  10.406  20.746  7.9489  4.245058       13.09501 
1 1 1 -12 -47 55 o 22.688  8.4827  75.459     62.870   100.606    108.520  62.755     77.133   25.387  10.590  22.059  9.0376  3.328238       13.92205 
1 1 1 -12 -47 56 o 66.257  6.8611  627.692    108.704  66.774     229.425  790.072    123.440  26.224  12.570  74.257  6.9311  -48.03301      14.35387 
1 1 1 -12 -47 57 o 21.166  8.7525  55.626     73.213   278.298    166.831  2.5144     81.478   33.426  13.438  18.477  8.3839  14.94867       15.83900 
1 1 1 -12 -47 58 o 14.713  6.9059  -34.4995   62.541   -150.8189  181.281  -18.7846   66.632   20.183  9.9864  15.935  7.3598  4.247976       12.40544 
1 1 1 -12 -46 1  o 22.281  8.5938  71.358     65.755   100.392    89.523   37.343     96.898   25.022  9.9154  21.365  9.4564  3.657150       13.70181 
1 1 1 -12 -46 2  o 20.324  8.1745  50.231     61.762   78.928     89.164   23.763     85.631   23.607  9.6996  20.061  8.8840  3.546169       13.15325 
1 1 1 -12 -46 3  o 32.954  8.8968  174.665    72.801   274.782    114.064  105.848    94.567   38.332  11.413  25.647  10.182  12.68565       15.29515 
1 1 1 -12 -46 4  o 32.642  8.7977  170.329    71.259   96.335     105.261  232.927    96.817   25.176  10.460  36.473  10.421  -11.29740      14.76452 
1 1 1 -12 -46 5  o 18.784  8.0146  27.897     64.479   62.013     91.577   -5.6423    90.801   22.646  9.6035  19.023  8.7148  3.622898       12.96818 
1 1 1 -12 -46 6  o 27.646  8.9884  124.163    69.070   187.888    99.192   64.180     96.235   32.045  10.784  22.948  9.7915  9.096090       14.56599 
1 1 1 -12 -46 7  o 38.131  7.7538  217.955    69.296   184.326    104.467  244.380    92.602   31.417  11.049  38.007  9.9315  -6.589390      14.85652 
1 1 1 -12 -46 8  o 33.358  8.2087  172.067    65.989   277.176    105.499  104.515    84.576   39.571  10.721  25.503  9.7692  14.06848       14.50462 
1 1 1 -12 -46 9  o 29.096  8.5687  134.292    64.574   97.598     101.023  159.641    83.967   25.197  10.335  30.508  9.9100  -5.310160      14.31880 
1 1 1 -12 -46 10 o 18.549  7.7324  31.307     57.805   93.789     92.174   -9.1955    74.212   24.866  9.9915  17.471  7.9558  7.394714       12.77208 
1 1 1 -12 -46 11 o 49.181  6.2683  335.449    73.101   286.037    109.101  375.706    98.476   40.259  10.901  49.704  8.4690  -9.445107      13.80400 
1 1 1 -12 -46 12 o 28.328  8.3002  124.043    60.727   136.525    97.362   116.095    77.691   28.255  10.558  26.837  9.5188  1.418327       14.21527 
1 1 1 -12 -46 13 o 30.674  7.9094  141.736    59.248   166.782    99.056   127.784    73.930   30.815  10.764  28.190  9.3058  2.624872       14.22852 
1 1 1 -12 -46 14 o 24.742  7.7908  90.708     52.200   53.466     82.123   115.955    67.617   22.055  9.2072  27.256  8.8949  -5.200119      12.80200 
1 1 1 -12 -46 15 o 17.481  6.9713  30.555     44.515   -51.3743   69.764   86.819     57.813   15.213  7.1876  24.269  8.2326  -9.056602      10.92872 
1 1 1 -12 -46 16 o 17.202  7.1754  21.490     49.820   -15.2027   72.920   53.612     68.227   17.307  7.8830  21.427  8.6009  -4.119761      11.66691 
1 1 1 -12 -46 17 o 42.721  6.1525  248.846    61.936   327.896    92.485   184.565    83.399   47.068  8.4066  33.942  9.6626  13.12558       12.80773 
1 1 1 -12 -46 18 o 17.556  7.1645  26.542     48.236   57.577     70.477   -0.8064    66.159   21.993  8.7715  17.459  7.7665  4.533876       11.71569 
1 1 1 -12 -46 19 o 45.490  6.0819  279.911    65.449   310.948    96.531   253.505    89.040   45.298  9.0986  40.635  9.2396  4.662647       12.96745 
1 1 1 -12 -46 20 o 39.488  6.7130  215.927    62.018   218.722    89.004   213.289    86.464   37.252  9.7378  36.924  9.5716  0.3278046      13.65428 
1 1 1 -12 -46 21 o 20.396  7.8602  49.013     54.973   43.525     77.559   54.553     77.930   21.516  8.9619  22.337  9.1100  -0.8207264     12.77920 
1 1 1 -12 -46 22 o 21.550  8.7100  49.900     70.492   5.0731     165.928  59.772     77.869   24.974  11.562  22.769  9.1713  2.204849       14.75811 
1 1 1 -12 -46 23 o 19.087  8.1595  20.378     67.060   -78.3327   152.470  44.054     74.670   21.864  10.416  21.421  8.8470  0.4432335      13.66589 
1 1 1 -12 -46 24 o 31.078  9.4833  149.186    78.041   83.725     163.056  168.636    88.882   27.777  12.282  32.551  10.152  -4.774225      15.93498 
1 1 1 -12 -46 25 o 16.503  7.5607  -25.3407   68.362   199.619    160.247  -75.3901   75.585   33.244  13.237  15.205  7.2682  18.03900       15.10083 
1 1 1 -12 -46 26 o 46.491  8.2037  310.839    89.159   298.863    186.538  314.385    101.504  38.122  14.531  45.579  9.4867  -7.457500      17.35356 
1 1 1 -12 -46 27 o 22.492  8.9102  58.713     72.274   66.915     152.294  56.329     82.110   26.862  11.874  22.891  9.3454  3.970127       15.11048 
1 1 1 -12 -46 28 o 20.871  8.3985  44.723     65.228   312.199    161.203  -7.6437    71.328   40.293  13.747  17.833  7.9889  22.45930       15.89948 
1 1 1 -12 -46 29 o 14.921  6.7485  -16.0584   52.291   -66.1416   83.659   16.055     66.990   16.528  7.8277  18.851  8.1094  -2.322924      11.27099 
1 1 1 -12 -46 30 o 35.589  7.1197  177.015    59.335   149.320    92.731   196.215    77.209   30.745  10.426  36.269  8.8514  -5.523912      13.67691 
1 1 1 -12 -46 31 o 18.235  7.6758  20.639     57.811   -17.2785   82.803   56.700     80.750   18.541  8.4277  22.844  9.2902  -4.303272      12.54331 
1 1 1 -12 -46 32 o 46.088  9.5784  322.167    103.617  322.167    103.617  0.0000     0.0000   46.088  9.5784  ?       ?       0.000000       9.578438 
1 1 1 -12 -46 33 o 17.550  8.0909  -31.4404   79.986   -31.4404   79.986   0.0000     0.0000   17.550  8.0909  ?       ?       0.000000       8.090946 
1 1 1 -12 -46 34 o 38.429  5.5657  196.076    50.387   53.454     97.394   248.201    58.879   23.552  9.9410  43.179  5.7637  -19.62657      11.49105 
1 1 1 -12 -46 35 o 14.925  5.9683  18.432     32.715   58.369     83.269   11.142     35.576   23.034  9.4082  14.535  6.0632  8.499646       11.19272 
1 1 1 -12 -46 36 o 24.700  7.2568  86.579     46.363   136.572    109.057  75.551     51.222   29.370  11.131  23.239  7.7495  6.130650       13.56274 
1 1 1 -12 -46 37 o 14.476  6.2605  2.9712     40.353   128.359    114.951  -14.6526   43.096   28.761  11.287  13.545  6.1262  15.21620       12.84214 
1 1 1 -12 -46 38 o 22.333  7.4777  69.118     47.690   208.368    122.455  44.221     51.778   34.287  11.968  19.686  7.6167  14.60043       14.18613 
1 1 1 -12 -46 39 o 34.184  6.6732  162.606    53.364   128.402    121.748  170.740    59.371   28.661  11.495  34.632  7.2956  -5.970890      13.61462 
1 1 1 -12 -46 40 f 12.180  5.4853  -11.2909   34.125   50.257     90.052   -21.6115   36.875   22.653  9.5600  11.936  5.4995  10.71674       11.02899 
1 1 1 -12 -46 41 o 30.133  5.9906  124.476    42.258   181.078    99.052   111.882    46.723   32.740  10.770  28.035  6.9123  4.705040       12.79708 
1 1 1 -12 -46 42 o 8.9020  4.3213  -45.6845   29.277   -73.3865   85.625   -42.0171   31.155   16.247  7.7580  9.5085  4.5765  6.738775       9.007300 
1 1 1 -12 -46 43 o 11.407  5.2313  -17.6199   32.838   0.0000     0.0000   -17.6199   32.838   ?       ?       11.407  5.2313  0.000000       5.231295 
1 1 1 -12 -46 44 o 24.859  6.9417  88.915     43.476   0.0000     0.0000   88.915     43.476   ?       ?       24.859  6.9417  0.000000       6.941666 
1 1 1 -12 -46 45 o 27.681  6.1225  106.941    40.032   90.574     98.607   110.171    43.804   25.198  10.259  27.840  6.5874  -2.641523      12.19176 
1 1 1 -12 -46 46 o 29.875  5.7924  122.788    40.473   190.807    77.858   97.602     47.378   34.651  9.1317  25.792  7.2622  8.859131       11.66738 
1 1 1 -12 -46 47 o 44.651  6.9539  283.318    72.886   336.066    107.301  238.130    99.315   45.296  10.028  37.179  10.531  8.116852       14.54129 
1 1 1 -12 -46 48 o 21.175  7.2764  63.211     45.181   46.184     91.543   68.694     51.949   21.932  9.4572  21.961  7.7843  -0.2858353E-01 12.24883 
1 1 1 -12 -46 49 o 20.680  7.3922  59.021     46.941   28.322     93.484   69.371     54.280   21.023  9.2976  22.056  7.9422  -1.032906      12.22796 
1 1 1 -12 -46 50 o 26.993  8.7670  115.132    65.716   209.086    102.212  48.927     85.801   34.033  10.922  21.733  9.2584  12.29993       14.31802 
1 1 1 -12 -46 51 o 40.337  8.6180  251.468    81.786   339.954    148.750  213.128    97.914   40.131  13.198  34.748  10.626  5.383198       16.94378 
1 1 1 -12 -46 52 o 34.601  9.0334  191.281    76.656   206.930    142.757  184.941    90.867   31.755  12.541  32.686  10.277  -0.9312286     16.21371 
1 1 1 -12 -46 53 o 17.882  7.0616  34.966     45.263   -21.7013   98.663   50.072     50.940   19.113  8.8725  19.857  7.5876  -0.7446804     11.67442 
1 1 1 -12 -46 54 o 23.597  7.6154  82.229     49.640   249.170    105.797  35.103     56.211   37.430  10.952  18.812  7.7122  18.61798       13.39511 
1 1 1 -12 -46 55 o 13.806  6.2397  -11.5257   44.610   -71.0843   101.322  2.7957     49.685   17.579  8.4065  15.533  6.8277  2.045978       10.82990 
1 1 1 -12 -46 56 o 18.004  7.9076  12.385     66.532   104.290    178.367  -2.4688    71.708   27.039  12.321  17.621  7.9422  9.417667       14.65884 
1 1 1 -12 -46 57 o 24.033  9.3434  86.428     78.204   427.338    190.809  17.601     85.735   41.012  14.873  19.822  8.8279  21.18918       17.29522 
1 1 1 -12 -46 58 o 18.199  7.9568  17.323     66.681   -186.4992  187.415  46.864     71.350   20.312  10.069  20.578  8.5855  -0.2653790     13.23225 
1 1 1 -12 -46 59 o 26.036  9.3698  113.132    75.537   173.073    199.487  103.099    81.614   28.369  12.967  25.076  9.5988  3.293570       16.13307 
1 1 1 -12 -45 1  o 14.228  6.6894  -40.4123   59.098   -12.6609   79.847   -74.0313   87.884   17.893  8.1878  16.218  7.7749  1.674931       11.29110 
1 1 1 -12 -45 2  o 62.893  5.9069  538.604    89.086   349.501    132.599  694.187    120.274  42.903  12.174  69.651  7.2217  -26.74825      14.15438 
1 1 1 -12 -45 3  o 20.174  8.0464  48.449     59.310   41.274     88.035   54.413     80.259   21.402  9.2512  21.809  9.1031  -0.4075623     12.97885 
1 1 1 -12 -45 4  o 18.979  8.0159  30.359     63.393   -66.1460   89.897   125.815    89.407   16.672  7.9574  27.422  10.143  -10.75070      12.89162 
1 1 1 -12 -45 5  o 27.213  8.9985  118.321    69.117   133.613    97.494   102.868    98.001   27.928  10.539  25.685  10.309  2.242697       14.74235 
1 1 1 -12 -45 6  o 37.708  7.6962  210.724    68.033   293.115    104.691  150.494    89.510   41.544  10.408  29.594  10.238  11.94927       14.59892 
1 1 1 -12 -45 7  o 19.138  7.8757  36.398     58.901   84.180     91.339   2.3849     77.064   24.345  9.8884  18.433  8.2775  5.911896       12.89563 
1 1 1 -12 -45 8  o 34.428  8.0693  178.924    66.233   282.310    109.612  119.466    83.125   40.172  10.947  27.135  9.8201  13.03606       14.70601 
1 1 1 -12 -45 9  o 15.973  7.0572  0.9653     53.734   50.088     85.124   -31.5742   69.282   21.960  9.2827  15.985  7.4255  5.974648       11.88723 
1 1 1 -12 -45 10 o 57.529  5.9702  448.599    82.123   463.994    134.770  439.506    103.574  52.651  10.908  54.755  8.0348  -2.104038      13.54773 
1 1 1 -12 -45 11 o 39.777  7.5015  228.170    69.746   201.336    115.299  243.656    87.588   33.347  11.615  39.459  9.3002  -6.112339      14.87921 
1 1 1 -12 -45 12 o 15.621  6.8148  3.5110     48.676   12.448     87.850   -0.4482    58.473   20.197  8.9685  16.575  7.3406  3.621767       11.58959 
1 1 1 -12 -45 13 o 22.242  7.6153  68.776     49.473   -3.4392    75.771   122.439    65.318   18.327  8.2202  28.393  8.6783  -10.06630      11.95346 
1 1 1 -12 -45 14 o 30.005  7.3633  129.438    53.209   161.362    82.594   106.789    69.568   31.875  9.7614  26.671  9.0309  5.204361       13.29824 
1 1 1 -12 -45 15 o 37.594  6.7398  195.763    59.221   187.348    87.203   202.967    80.679   34.342  9.9132  36.457  9.1381  -2.114761      13.48247 
1 1 1 -12 -45 16 o 18.996  7.3945  39.100     49.031   107.551    73.325   -16.2582   65.941   26.890  9.2680  16.670  7.5552  10.21992       11.95734 
1 1 1 -12 -45 17 o 49.139  5.6398  319.258    66.026   343.684    96.471   297.735    90.559   48.669  8.4772  45.143  8.5813  3.526810       12.06245 
1 1 1 -12 -45 18 o 26.166  7.7861  98.153     53.095   98.427     79.372   97.931     71.430   26.226  9.5797  26.060  9.1380  0.1652508      13.23912 
1 1 1 -12 -45 19 o 41.811  6.4210  236.555    63.058   197.219    90.905   273.037    87.545   35.500  10.082  43.283  8.6385  -7.783386      13.27658 
1 1 1 -12 -45 20 o 38.708  6.7791  205.224    61.350   156.165    90.523   246.901    83.434   31.628  10.290  41.172  8.6278  -9.544706      13.42873 
1 1 1 -12 -45 21 o 29.313  7.6136  122.212    54.638   24.144     81.081   203.787    73.950   20.818  8.9376  37.566  8.3311  -16.74883      12.21833 
1 1 1 -12 -45 22 o 31.524  7.3709  139.665    55.373   173.314    79.587   108.094    77.090   33.936  9.3611  27.315  9.4979  6.621262       13.33574 
1 1 1 -12 -45 23 o 25.075  7.8983  88.266     53.646   44.793     77.485   128.288    74.346   21.991  9.0395  29.408  9.3019  -7.416897      12.97069 
1 1 1 -12 -45 24 o 75.974  5.1408  743.517    94.210   805.992    124.635  660.235    143.900  77.596  6.6849  67.761  8.9728  9.834808       11.18922 
1 1 1 -12 -45 25 o 40.752  8.8481  241.586    84.983   145.895    166.982  275.035    98.725   31.503  13.138  42.834  9.7216  -11.33083      16.34376 
1 1 1 -12 -45 26 o 15.754  7.2658  -33.8446   64.602   41.110     141.291  -53.6563   72.640   25.889  11.441  15.873  7.4479  10.01608       13.65146 
1 1 1 -12 -45 27 o 34.645  9.4560  179.655    81.713   384.211    161.669  109.467    94.700   46.643  13.508  27.862  10.412  18.78090       17.05478 
1 1 1 -12 -45 28 o 23.588  9.4805  60.246     83.011   0.0000     0.0000   60.246     83.011   ?       ?       23.588  9.4805  0.000000       9.480501 
1 1 1 -12 -45 29 o 17.961  8.1171  -17.5812   75.486   0.0000     0.0000   -17.5812   75.486   ?       ?       17.961  8.1171  0.000000       8.117070 
1 1 1 -12 -45 30 o 23.420  8.9165  67.281     70.186   121.427    147.340  51.388     79.824   29.961  12.405  22.721  9.2380  7.239882       15.46699 
1 1 1 -12 -45 31 o 18.590  8.4046  -17.0687   81.014   -17.0687   81.014   0.0000     0.0000   18.590  8.4046  ?       ?       0.000000       8.404566 
1 1 1 -12 -45 32 o 54.456  8.5546  421.540    109.308  421.540    109.308  0.0000     0.0000   54.456  8.5546  ?       ?       0.000000       8.554622 
1 1 1 -12 -45 33 o 78.052  4.1091  768.071    77.547   891.806    133.402  704.920    95.303   81.534  6.8053  73.800  5.3586  7.733604       8.661819 
1 1 1 -12 -45 34 o 29.630  5.7278  117.291    39.690   113.540    93.773   118.110    43.808   28.083  10.387  29.469  6.3164  -1.386877      12.15701 
1 1 1 -12 -45 35 o 31.059  6.1328  130.268    44.577   247.753    99.640   100.868    49.844   40.064  10.218  26.766  7.4179  13.29714       12.62656 
1 1 1 -12 -45 36 o 35.633  5.0501  165.508    42.442   105.606    94.113   180.800    47.551   27.365  10.347  37.068  5.4496  -9.702774      11.69481 
1 1 1 -12 -45 37 o 40.055  6.0809  214.614    57.243   114.466    129.358  239.001    63.834   28.767  11.735  42.067  6.4604  -13.29915      13.39618 
1 1 1 -12 -45 38 o 34.892  6.7496  167.417    55.077   278.360    121.738  138.864    61.759   40.826  11.692  30.950  8.1218  9.875753       14.23613 
1 1 1 -12 -45 39 o 11.641  5.4359  -30.2285   37.907   -9.4308    105.055  -33.3416   40.645   20.982  9.5200  11.967  5.6011  9.014885       11.04551 
1 1 1 -12 -45 40 o 43.829  6.2290  258.652    64.379   379.444    142.353  227.595    72.183   46.954  12.335  40.059  7.7061  6.895489       14.54427 
1 1 1 -12 -45 41 o 15.359  6.2022  18.507     35.710   14.638     86.338   19.305     39.222   20.513  9.0089  15.911  6.4731  4.601948       11.09334 
1 1 1 -12 -45 42 o 21.848  7.0791  65.659     42.862   0.0000     0.0000   65.659     42.862   ?       ?       21.848  7.0791  0.000000       7.079096 
1 1 1 -12 -45 43 o 20.466  7.0466  55.699     42.382   0.0000     0.0000   55.699     42.382   ?       ?       20.466  7.0466  0.000000       7.046611 
1 1 1 -12 -45 44 o 17.164  6.4284  33.656     36.137   56.736     92.679   29.518     39.243   23.258  9.7507  16.967  6.6124  6.291582       11.78134 
1 1 1 -12 -45 45 f 26.988  6.3123  101.449    40.599   211.671    80.181   63.448     47.080   37.192  8.9856  21.529  7.4261  15.66326       11.65704 
1 1 1 -12 -45 46 o 31.491  5.5535  133.833    40.884   160.442    78.664   123.985    47.855   31.768  9.4827  29.572  6.8100  2.195816       11.67471 
1 1 1 -12 -45 47 o 51.604  4.3794  343.460    54.318   343.131    96.901   343.611    65.592   47.784  8.6773  50.853  5.3984  -3.069122      10.21948 
1 1 1 -12 -45 48 o 20.011  7.1846  53.013     44.388   43.691     94.149   55.677     50.334   22.202  9.5821  20.595  7.6116  1.607235       12.23734 
1 1 1 -12 -45 49 o 27.305  7.2792  109.046    49.106   39.704     98.380   132.055    56.670   22.160  9.6772  29.769  7.7646  -7.609467      12.40710 
1 1 1 -12 -45 50 o 12.365  5.7355  -25.5237   41.116   -122.4937  88.358   1.2776     46.452   14.898  7.2917  15.054  6.6098  -0.1565266     9.841698 
1 1 1 -12 -45 51 o 19.908  7.8810  46.229     56.505   117.383    97.257   9.9729     69.424   26.976  10.438  18.245  8.0433  8.731010       13.17783 
1 1 1 -12 -45 52 o 27.582  9.1809  120.947    71.905   342.531    135.927  34.846     84.731   42.347  12.421  20.967  9.0697  21.37982       15.37977 
1 1 1 -12 -45 53 o 27.142  9.1123  116.316    70.821   234.332    135.384  71.855     83.097   34.263  12.512  23.342  9.4489  10.92094       15.67899 
1 1 1 -12 -45 54 f 16.820  7.0126  20.923     47.553   76.649     102.481  5.6332     53.682   24.382  10.239  16.299  7.1322  8.083458       12.47844 
1 1 1 -12 -45 55 f 58.221  4.9303  444.950    68.996   493.134    134.717  427.816    80.332   54.740  10.525  56.096  5.9947  -1.355331      12.11237 
1 1 1 -12 -45 56 f 12.017  5.6523  -34.7815   42.263   -41.7553   100.267  -33.2748   46.605   18.620  8.7413  12.824  6.0010  5.795595       10.60292 
1 1 1 -12 -45 57 o 33.639  9.4126  183.266    79.850   218.279    197.864  176.455    87.273   31.577  13.759  32.360  10.055  -0.7834015     17.04100 
1 1 1 -12 -45 58 o 34.399  9.4836  193.430    81.709   280.004    203.997  176.886    89.175   33.564  14.287  32.119  10.190  1.444611       17.54865 
1 1 1 -12 -45 59 o 18.542  8.0829  18.883     68.361   8.9392     171.690  20.756     74.523   23.882  11.281  19.171  8.3958  4.710800       14.06249 
1 1 1 -12 -45 60 o 19.258  8.2749  30.104     69.611   -64.9919   185.323  45.725     75.111   22.360  10.858  20.684  8.7302  1.675625       13.93261 
1 1 1 -12 -44 1  o 66.306  5.7524  592.562    91.631   553.731    133.498  627.152    125.998  59.235  9.6181  65.142  8.1499  -5.906601      12.60673 
1 1 1 -12 -44 2  o 19.911  8.1000  42.656     61.410   47.546     87.723   37.957     85.997   21.913  9.3490  21.227  9.1596  0.6856785      13.08822 
1 1 1 -12 -44 3  o 37.857  7.9583  213.469    70.782   223.812    103.612  204.419    96.925   35.570  10.940  34.340  10.584  1.230202       15.22182 
1 1 1 -12 -44 4  o 19.339  8.1166  32.497     64.335   8.8468     90.191   56.998     91.798   19.952  8.9575  22.736  9.6268  -2.783630      13.14963 
1 1 1 -12 -44 5  o 52.756  5.8707  376.989    73.874   406.345    110.656  353.387    99.223   51.167  9.2535  48.134  8.8208  3.033794       12.78415 
1 1 1 -12 -44 6  o 21.996  8.1541  65.994     57.852   55.185     90.596   73.436     75.175   22.683  9.5816  23.298  9.1320  -0.6149254     13.23632 
1 1 1 -12 -44 7  o 29.711  8.2920  133.710    62.053   193.583    94.857   88.920     82.043   33.870  10.476  24.852  9.5955  9.018263       14.20614 
1 1 1 -12 -44 8  o 15.813  7.0610  -6.0093    55.241   31.545     87.393   -30.9992   71.290   21.237  9.1987  16.387  7.5840  4.850512       11.92200 
1 1 1 -12 -44 9  o 64.092  5.2590  539.302    81.065   614.663    121.373  478.609    108.922  65.663  7.7684  57.636  8.0046  8.027287       11.15451 
1 1 1 -12 -44 10 o 20.451  7.9272  48.883     56.165   37.163     87.914   56.966     73.007   21.796  9.3307  22.212  8.9039  -0.4163513     12.89730 
1 1 1 -12 -44 11 o 28.837  7.9590  121.557    57.512   195.079    92.582   75.356     73.390   34.836  10.260  23.853  9.1091  10.98256       13.72043 
1 1 1 -12 -44 12 o 18.617  7.2023  37.454     46.293   128.155    70.993   -29.6432   61.060   29.148  9.0706  15.347  7.0732  13.80097       11.50241 
1 1 1 -12 -44 13 o 24.285  7.4998  83.012     48.639   97.772     74.247   71.915     64.376   26.101  9.3003  23.329  8.6109  2.772760       12.67454 
1 1 1 -12 -44 14 o 18.046  7.1934  30.255     47.376   24.092     71.105   35.176     63.532   19.882  8.4481  20.030  8.2038  -0.1481819     11.77593 
1 1 1 -12 -44 15 o 37.722  6.6204  193.710    58.386   190.427    85.784   196.544    79.693   35.314  9.7095  36.366  9.0638  -1.051201      13.28259 
1 1 1 -12 -44 16 o 38.215  6.8597  199.690    61.269   227.728    97.507   181.396    78.760   38.341  10.273  34.905  9.1777  3.436199       13.77583 
1 1 1 -12 -44 17 f 14.424  6.4510  -11.4650   46.308   -12.9820   65.472   -9.9465    65.505   17.012  7.6351  17.197  7.6833  -0.1852131     10.83176 
1 1 1 -12 -44 18 o 27.259  7.6205  104.493    52.364   52.852     78.341   146.196    70.400   22.765  9.1888  31.633  8.8334  -8.867731      12.74609 
1 1 1 -12 -44 19 o 52.388  5.4137  355.929    67.824   346.782    98.129   364.295    93.849   49.542  8.4674  51.350  7.7756  -1.807964      11.49597 
1 1 1 -12 -44 20 o 47.696  5.8686  298.413    66.484   263.349    95.813   330.971    92.328   42.270  9.5651  48.727  8.0930  -6.457310      12.52946 
1 1 1 -12 -44 21 o 17.947  7.3415  23.398     50.799   34.930     75.017   13.632     69.035   21.295  8.8372  19.220  8.2492  2.075010       12.08908 
1 1 1 -12 -44 22 o 53.896  5.4117  375.405    69.815   436.122    101.222  320.310    96.421   56.576  7.5629  47.575  8.6722  9.000610       11.50675 
1 1 1 -12 -44 23 o 31.307  7.5683  136.430    56.857   140.496    83.150   132.860    77.919   30.906  9.8438  30.205  9.5195  0.7011566      13.69383 
1 1 1 -12 -44 24 o 22.866  7.7463  68.764     51.184   134.392    73.597   7.2855     71.232   30.468  9.1898  19.089  8.2865  11.37907       12.37414 
1 1 1 -12 -44 25 f 19.742  7.6638  39.704     52.556   52.021     78.803   29.837     70.532   22.949  9.2324  20.591  8.5590  2.357262       12.58940 
1 1 1 -12 -44 26 o 40.580  6.3866  218.850    60.807   182.168    91.538   247.821    81.350   34.866  10.183  42.088  8.2608  -7.222553      13.11268 
1 1 1 -12 -44 27 o 18.196  7.9625  0.7171     66.913   31.360     139.436  -8.4510    76.269   25.877  11.404  18.724  8.3333  7.153517       14.12430 
1 1 1 -12 -44 28 o 26.881  9.3605  99.207     74.888   225.709    146.507  54.464     87.130   37.016  13.078  23.735  9.6511  13.28050       16.25331 
1 1 1 -12 -44 29 o 15.331  7.1251  -42.9192   63.919   -40.5109   133.954  -43.6292   72.733   22.668  10.458  16.483  7.6397  6.185415       12.95094 
1 1 1 -12 -44 30 o 43.061  13.808  320.960    163.388  320.960    163.388  0.0000     0.0000   43.061  13.808  ?       ?       0.000000       13.80769 
1 1 1 -12 -44 31 o 26.205  11.470  39.859     138.895  39.859     138.895  0.0000     0.0000   26.205  11.470  ?       ?       0.000000       11.46966 
1 1 1 -12 -44 32 o 24.235  7.1399  80.069     44.827   42.345     86.288   94.014     52.462   22.812  9.4732  26.058  7.7363  -3.246027      12.23076 
1 1 1 -12 -44 33 o 41.725  4.6372  222.150    46.154   232.791    92.663   218.638    53.227   39.738  9.6961  40.999  5.4881  -1.261486      11.14153 
1 1 1 -12 -44 34 o 48.989  4.4046  304.112    51.796   343.230    107.304  292.228    59.142   48.713  9.4190  47.621  5.2031  1.092251       10.76057 
1 1 1 -12 -44 35 o 16.910  6.2407  31.517     33.811   45.671     86.454   28.962     36.737   22.979  9.5074  16.902  6.4472  6.076828       11.48726 
1 1 1 -12 -44 36 o 55.971  4.2518  395.651    57.311   377.908    114.949  401.521    66.115   50.841  9.6716  56.024  4.9133  -5.183128      10.84800 
1 1 1 -12 -44 37 o 50.052  4.3416  317.547    52.205   401.276    104.276  289.541    60.307   53.547  8.2939  47.258  5.3538  6.289673       9.871748 
1 1 1 -12 -44 38 o 15.437  6.2036  18.235     35.538   63.603     82.823   7.9971     39.344   23.901  9.5163  14.942  6.3132  8.959619       11.41999 
1 1 1 -12 -44 39 f 20.738  7.4763  53.304     48.115   267.772    124.751  15.826     52.149   40.338  11.919  17.377  7.3012  22.96023       13.97716 
1 1 1 -12 -44 40 o 33.412  7.2082  155.049    56.722   256.114    124.679  128.671    63.696   39.228  11.990  29.813  8.4296  9.415615       14.65660 
1 1 1 -12 -44 41 o 24.920  7.7887  87.045     52.282   0.0000     0.0000   87.045     52.282   ?       ?       24.920  7.7887  0.000000       7.788742 
1 1 1 -12 -44 42 o 11.178  5.1697  -22.8512   33.037   0.0000     0.0000   -22.8512   33.037   ?       ?       11.178  5.1697  0.000000       5.169716 
1 1 1 -12 -44 43 o 11.170  5.1329  -19.3685   31.835   -1.2577    97.499   -21.5298   33.681   20.767  9.3191  11.392  5.2513  9.375854       10.69684 
1 1 1 -12 -44 44 o 13.438  5.6037  8.5406     30.373   -104.8181  62.681   43.327     34.722   12.497  6.1218  18.477  6.3772  -5.980559      8.839985 
1 1 1 -12 -44 45 o 17.525  6.4142  36.218     35.609   64.688     68.530   25.689     41.677   22.764  8.7752  16.885  6.7417  5.879583       11.06593 
1 1 1 -12 -44 46 o 11.862  5.3074  -9.0834    31.382   -23.5539   65.840   -4.8295    35.698   16.247  7.4347  13.039  5.7569  3.207881       9.403048 
1 1 1 -12 -44 47 o 36.025  5.2561  171.769    44.591   141.060    83.129   184.175    52.836   29.884  9.8679  36.801  6.1329  -6.916704      11.61841 
1 1 1 -12 -44 48 f 12.287  5.4072  -3.6414    31.246   -76.7037   67.983   15.926     35.182   14.089  6.7762  14.924  6.1077  -0.8345222     9.122602 
1 1 1 -12 -44 49 o 37.824  6.1744  195.731    54.710   151.245    104.191  212.667    64.286   30.017  10.974  38.791  7.0914  -8.773584      13.06592 
1 1 1 -12 -44 50 o 23.466  7.3539  79.066     46.571   109.046    92.062   68.756     53.989   26.667  10.198  22.263  7.9310  4.403048       12.91876 
1 1 1 -12 -44 51 o 51.506  5.1528  349.891    63.533   424.068    118.487  319.958    75.268   51.914  9.7648  48.024  6.6368  3.890408       11.80668 
1 1 1 -12 -44 52 o 9.1627  4.5665  -96.2495   40.685   -161.2143  106.824  -85.2272   44.001   15.846  7.8078  10.111  4.9876  5.734649       9.264845 
1 1 1 -12 -44 53 o 11.672  5.6695  -72.6095   50.598   94.349     126.148  -104.6197  55.236   26.262  11.208  11.280  5.5688  14.98199       12.51531 
1 1 1 -12 -44 54 o 20.077  8.1966  41.686     63.168   -20.4553   128.024  61.683     72.624   21.518  10.028  22.271  8.8970  -0.7527599     13.40607 
1 1 1 -12 -44 55 o 57.603  5.0815  436.198    70.295   393.742    131.889  453.044    83.079   47.632  11.534  57.852  6.0060  -10.21997      13.00434 
1 1 1 -12 -44 56 o 48.708  5.5503  316.993    64.424   417.672    130.148  284.317    74.146   49.890  11.043  44.913  7.0347  4.976974       13.09342 
1 1 1 -12 -44 57 f 33.190  7.1177  157.885    55.601   280.448    116.950  122.091    63.201   39.788  11.479  28.252  8.5149  11.53662       14.29216 
1 1 1 -12 -44 58 o 24.638  9.2046  89.324     73.998   44.988     178.935  98.470     81.273   25.853  11.983  25.531  9.6250  0.3216648      15.36963 
1 1 1 -12 -44 59 o 32.736  9.7071  176.212    82.633   540.329    197.842  99.269     90.946   48.659  15.142  25.591  10.040  23.06837       18.16844 
1 1 1 -12 -44 60 o 28.421  12.949  136.350    196.906  136.350    196.906  0.0000     0.0000   28.421  12.949  ?       ?       0.000000       12.94865 
1 1 1 -12 -44 61 o 21.884  8.8393  62.452     72.550   -206.7912  194.044  106.205    78.223   20.407  10.138  25.659  9.4878  -5.252234      13.88511 
1 1 1 -12 -43 1  o 40.293  7.6201  235.787    71.771   369.659    108.568  131.871    95.653   48.533  9.5595  28.309  10.487  20.22419       14.19008 
1 1 1 -12 -43 2  o 28.225  8.7203  123.044    65.750   160.882    95.081   88.370     91.021   30.802  10.557  24.983  9.9669  5.819094       14.51875 
1 1 1 -12 -43 3  o 23.900  8.4031  82.859     60.422   153.617    96.212   36.779     77.643   30.212  10.605  20.793  8.8315  9.418837       13.80058 
1 1 1 -12 -43 4  o 47.171  6.3380  304.684    70.706   338.912    108.111  279.100    93.467   46.209  9.9375  42.419  9.3344  3.790657       13.63394 
1 1 1 -12 -43 5  o 43.837  6.6548  265.678    68.561   308.573    103.203  231.791    91.728   44.242  9.8652  38.134  9.8457  6.108177       13.93769 
1 1 1 -12 -43 6  o 24.811  8.2104  89.213     57.537   61.697     90.205   108.086    74.707   23.466  9.7104  26.784  9.3479  -3.317602      13.47873 
1 1 1 -12 -43 7  o 35.933  7.5932  184.670    64.131   87.367     101.758  248.784    82.600   25.787  10.450  41.057  8.5683  -15.27074      13.51357 
1 1 1 -12 -43 8  o 39.629  7.0319  218.135    65.140   233.920    102.982  207.608    84.102   37.949  10.714  36.853  9.3810  1.096287       14.24084 
1 1 1 -12 -43 9  o 28.839  8.4065  122.040    62.435   128.613    102.062  118.109    78.926   29.040  10.818  28.091  9.6187  0.9490242      14.47555 
1 1 1 -12 -43 10 o 36.369  7.2995  184.723    62.177   204.216    94.373   169.772    82.650   36.077  10.282  33.303  9.6619  2.774101       14.10903 
1 1 1 -12 -43 11 o 13.215  6.0314  -20.6263   42.963   28.917     62.688   -64.5081   58.998   19.521  8.0878  13.493  6.4419  6.028211       10.33973 
1 1 1 -12 -43 12 o 35.831  6.6088  174.346    55.342   224.315    85.242   137.938    72.761   39.003  9.1628  30.557  9.1198  8.446543       12.92777 
1 1 1 -12 -43 13 o 21.261  7.5161  57.447     48.399   28.713     71.822   81.349     65.506   20.469  8.5826  24.611  8.7394  -4.142702      12.24895 
1 1 1 -12 -43 14 o 39.674  6.2761  209.825    58.407   193.956    85.698   223.589    79.815   36.084  9.6146  39.549  8.5653  -3.465183      12.87655 
1 1 1 -12 -43 15 o 27.686  7.6431  107.097    53.031   49.926     77.605   157.180    72.635   22.628  9.1413  32.932  8.8850  -10.30401      12.74776 
1 1 1 -12 -43 16 o 34.418  6.9648  161.251    56.167   133.406    82.679   185.115    76.541   30.234  9.8343  35.862  8.8502  -5.628077      13.23023 
1 1 1 -12 -43 17 o 48.868  5.3946  308.308    62.899   325.272    92.989   293.999    85.401   48.423  8.2075  46.200  7.9024  2.223320       11.39343 
1 1 1 -12 -43 18 o 13.148  6.0866  -31.7341   45.964   -40.6836   66.131   -23.3698   63.931   15.771  7.3010  16.385  7.4314  -0.6138363     10.41776 
1 1 1 -12 -43 19 o 33.204  7.2412  150.697    56.696   80.228     81.258   217.548    79.144   25.478  9.6195  39.304  8.5427  -13.82565      12.86519 
1 1 1 -12 -43 20 o 72.151  4.7229  658.471    82.227   626.772    118.484  687.924    114.208  68.555  7.2320  72.404  6.5724  -3.849030      9.772338 
1 1 1 -12 -43 21 o 95.915  4.4570  1154.02    103.728  1117.91    147.583  1189.28    145.820  92.400  6.6267  95.630  6.3200  -3.229591      9.157239 
1 1 1 -12 -43 22 o 21.109  7.5473  53.969     48.934   46.690     70.221   60.841     68.228   22.033  8.7656  23.116  8.7935  -1.082277      12.41620 
1 1 1 -12 -43 23 o 19.294  7.4432  37.261     49.333   71.880     72.915   8.0361     66.994   24.420  9.1342  18.802  8.0990  5.617609       12.20772 
1 1 1 -12 -43 24 o 66.475  4.8726  559.790    78.045   498.467    112.986  615.750    107.933  60.726  7.8519  68.588  6.5657  -7.861523      10.23532 
1 1 1 -12 -43 25 o 43.033  6.1233  242.297    62.134   189.792    92.042   286.254    84.219   35.962  10.121  45.842  7.8540  -9.880924      12.81085 
1 1 1 -12 -43 26 o 53.502  5.2213  365.721    66.918   397.446    103.380  342.842    87.793   53.970  8.1482  50.570  7.3716  3.399761       10.98789 
1 1 1 -12 -43 27 o 20.997  7.7581  50.584     52.282   -37.5173   79.988   116.298    69.081   17.798  8.1631  28.840  8.9432  -11.04138      12.10856 
1 1 1 -12 -43 28 o 27.175  9.8703  96.627     84.088   96.627     84.088   0.0000     0.0000   27.175  9.8703  ?       ?       0.000000       9.870313 
1 1 1 -12 -43 29 o 36.887  12.972  213.985    143.988  213.985    143.988  0.0000     0.0000   36.887  12.972  ?       ?       0.000000       12.97184 
1 1 1 -12 -43 30 o 56.012  13.215  501.536    176.700  501.536    176.700  0.0000     0.0000   56.012  13.215  ?       ?       0.000000       13.21498 
1 1 1 -12 -43 31 o 63.514  6.7247  530.264    102.058  683.603    180.122  457.759    123.858  67.836  11.344  57.096  9.2573  10.74026       14.64163 
1 1 1 -12 -43 32 o 18.390  7.2693  29.760     48.009   28.843     134.677  29.894     51.384   25.808  11.295  18.776  7.4893  7.032154       13.55230 
1 1 1 -12 -43 33 o 26.706  8.1646  98.077     57.810   193.879    132.819  75.686     64.212   35.435  12.459  24.344  8.6517  11.09123       15.16815 
1 1 1 -12 -43 34 o 87.068  3.8525  942.796    81.389   1022.37    138.801  901.098    100.475  88.493  6.5100  84.338  4.9313  4.154556       8.166866 
1 1 1 -12 -43 35 o 62.758  4.1116  493.574    62.263   639.934    119.523  439.065    72.942   69.330  7.2106  58.628  5.1809  10.70199       8.878839 
1 1 1 -12 -43 36 f 28.386  5.9170  107.010    39.433   172.981    88.687   90.754     44.024   34.259  10.029  25.836  6.8944  8.422840       12.16981 
1 1 1 -12 -43 37 o 25.514  6.2139  87.465     38.112   -6.6387    91.220   107.365    41.948   20.458  9.1087  28.288  6.2756  -7.830484      11.06130 
1 1 1 -12 -43 38 o 42.768  4.7404  233.382    48.365   373.136    99.723   190.399    55.304   51.995  8.1742  37.911  6.2285  14.08338       10.27679 
1 1 1 -12 -43 39 o 31.273  6.2886  131.059    46.064   0.0000     0.0000   131.059    46.064   ?       ?       31.273  6.2886  0.000000       6.288587 
1 1 1 -12 -43 40 o 18.071  7.2582  27.084     48.619   0.0000     0.0000   27.084     48.619   ?       ?       18.071  7.2582  0.000000       7.258190 
1 1 1 -12 -43 41 o 39.619  7.2467  214.726    67.097   0.0000     0.0000   214.726    67.097   ?       ?       39.619  7.2467  0.000000       7.246732 
1 1 1 -12 -43 42 o 17.988  6.8216  34.471     40.979   -94.2587   117.786  52.198     43.710   19.318  9.1895  20.380  7.1482  -1.061304      11.64234 
1 1 1 -12 -43 43 o 35.869  5.4921  168.984    46.277   154.310    104.576  172.557    51.605   31.623  11.059  35.928  6.1402  -4.304468      12.64890 
1 1 1 -12 -43 44 o 16.538  6.1136  30.347     32.475   15.219     65.719   35.234     37.355   18.843  8.0669  17.674  6.5523  1.168766       10.39269 
1 1 1 -12 -43 45 o 30.209  5.7058  121.917    40.290   113.353    76.645   125.187    47.362   27.823  9.4789  30.169  6.6492  -2.345850      11.57847 
1 1 1 -12 -43 46 o 30.644  5.6880  125.588    40.736   99.787     77.651   135.384    47.849   26.439  9.5015  31.440  6.4876  -5.001070      11.50513 
1 1 1 -12 -43 47 o 32.446  5.5526  140.195    42.143   84.667     80.609   161.080    49.437   25.085  9.5544  34.517  6.1272  -9.431950      11.35035 
1 1 1 -12 -43 48 o 20.380  6.7207  55.594     38.565   88.829     77.492   44.653     44.461   25.248  9.4220  19.274  7.1478  5.973732       11.82644 
1 1 1 -12 -43 49 o 19.102  6.4793  47.687     35.811   37.210     71.273   51.225     41.419   20.640  8.5936  19.857  6.9587  0.7835331      11.05771 
1 1 1 -12 -43 50 o 42.151  5.8070  238.203    57.815   167.324    109.103  265.877    68.174   31.474  11.268  43.995  6.5890  -12.52133      13.05286 
1 1 1 -12 -43 51 o 47.322  5.2235  294.874    58.978   210.628    112.161  327.071    69.338   34.710  11.462  49.341  5.9092  -14.63107      12.89579 
1 1 1 -12 -43 52 o 25.847  7.4604  96.933     49.390   51.605     103.728  110.222    56.166   23.416  10.082  27.284  7.9790  -3.867899      12.85741 
1 1 1 -12 -43 53 o 22.080  8.5436  62.119     65.151   100.018    127.658  48.770     75.761   26.880  11.365  21.594  8.9144  5.286522       14.44431 
1 1 1 -12 -43 54 o 19.393  7.9325  35.932     59.305   7.3242     126.956  43.917     67.072   22.639  10.346  20.639  8.4385  1.999149       13.35119 
1 1 1 -12 -43 55 o 37.624  8.8408  215.840    79.342   174.858    148.204  232.304    93.938   31.057  12.602  37.880  10.053  -6.823765      16.12099 
1 1 1 -12 -43 56 o 25.241  7.5159  92.455     49.462   45.929     105.755  105.482    55.960   23.207  10.085  26.694  8.0049  -3.486807      12.87607 
1 1 1 -12 -43 57 o 41.623  6.1032  235.490    59.808   257.577    124.993  228.931    68.111   37.600  12.079  40.181  7.2530  -2.581074      14.08926 
1 1 1 -12 -43 58 o 35.404  8.4949  188.766    72.043   103.443    119.034  238.087    90.501   26.870  11.140  38.800  9.6525  -11.92943      14.73991 
1 1 1 -12 -43 59 o 21.150  8.7135  46.654     72.201   -77.5382   185.135  68.930     78.409   23.167  11.152  23.188  9.2508  -0.2168083E-01 14.48929 
1 1 1 -12 -43 60 o 24.436  11.612  -18.4466   187.175  -18.4466   187.175  0.0000     0.0000   24.436  11.612  ?       ?       0.000000       11.61211 
1 1 1 -12 -43 61 o 25.885  9.4197  104.771    76.639   277.164    182.694  67.955     84.427   34.458  13.989  23.072  9.4542  11.38633       16.88393 
1 1 1 -12 -42 1  o 27.979  8.8316  119.596    67.045   107.568    101.120  129.031    89.562   26.819  10.566  28.449  10.206  -1.629658      14.69071 
1 1 1 -12 -42 2  o 13.153  6.1843  -40.6582   50.518   -16.7364   80.677   -56.0881   64.794   18.155  8.2780  14.492  6.8708  3.663018       10.75793 
1 1 1 -12 -42 3  o 48.823  6.0209  320.380    69.815   295.529    107.190  338.688    92.006   42.908  10.403  48.415  8.1195  -5.506844      13.19686 
1 1 1 -12 -42 4  o 32.215  7.8609  150.547    60.904   59.231     91.931   221.974    81.306   23.558  9.7801  38.500  8.8842  -14.94144      13.21285 
1 1 1 -12 -42 5  o 21.269  7.9515  56.158     55.241   59.824     86.129   53.596     72.000   23.394  9.5633  22.075  8.8445  1.319304       13.02621 
1 1 1 -12 -42 6  o 26.343  8.2043  99.783     58.066   197.857    88.250   24.910     77.109   35.782  9.8522  20.470  8.7501  15.31169       13.17691 
1 1 1 -12 -42 7  o 24.035  8.0750  79.738     55.615   145.171    84.864   30.481     73.630   30.837  9.9578  20.621  8.6704  10.21541       13.20355 
1 1 1 -12 -42 8  o 13.984  6.4245  -26.7729   49.828   -105.4473  76.980   29.959     65.369   14.487  7.0268  19.904  8.2537  -5.416081      10.83969 
1 1 1 -12 -42 9  o 28.608  7.5522  114.973    53.194   121.948    77.208   108.671    73.391   28.888  9.5086  27.545  9.2760  1.342999       13.28373 
1 1 1 -12 -42 10 o 21.003  7.3978  55.620     46.847   95.098     69.554   22.840     63.379   26.202  9.0268  19.266  8.0694  6.936180       12.10780 
1 1 1 -12 -42 11 o 30.398  7.1759  127.379    52.078   9.9907     77.418   224.402    70.383   19.890  8.6365  40.446  7.4461  -20.55634      11.40318 
1 1 1 -12 -42 12 o 28.509  7.2283  111.989    50.072   106.802    77.232   115.750    65.766   27.667  9.5131  28.576  8.7025  -0.9093266     12.89314 
1 1 1 -12 -42 13 o 47.574  5.4861  292.468    62.169   268.832    90.466   313.618    85.577   43.569  8.8593  48.022  7.5972  -4.453072      11.67062 
1 1 1 -12 -42 14 o 93.442  4.3965  1094.73    99.682   1282.54    145.763  929.740    136.624  99.549  6.0634  84.078  6.7540  15.47157       9.076433 
1 1 1 -12 -42 15 o 15.002  6.5151  -1.1401    44.071   -23.9450   64.324   19.035     60.502   16.463  7.4618  18.849  7.8886  -2.385569      10.85855 
1 1 1 -12 -42 16 o 35.988  6.4509  171.889    54.261   146.551    80.611   192.881    73.372   31.935  9.6145  37.209  8.3339  -5.273333      12.72372 
1 1 1 -12 -42 17 o 79.500  4.4478  793.374    85.454   771.626    124.583  812.698    117.435  76.751  6.7587  79.273  6.1535  -2.522514      9.140361 
1 1 1 -12 -42 18 o 94.590  4.4085  1118.78    101.181  1092.88    144.467  1143.71    141.756  91.685  6.5367  94.073  6.2458  -2.387260      9.040944 
1 1 1 -12 -42 19 o 56.647  5.1492  408.203    70.003   387.790    99.929   427.874    98.094   53.579  7.9257  56.744  7.2935  -3.164577      10.77088 
1 1 1 -12 -42 20 o 39.298  6.5149  203.709    59.946   202.826    87.417   204.493    82.361   37.658  9.5523  38.085  9.0467  -0.4270515     13.15635 
1 1 1 -12 -42 21 f 33.102  7.1149  147.661    55.445   133.534    78.814   161.502    78.015   30.787  9.5533  33.753  9.2508  -2.966127      13.29822 
1 1 1 -12 -42 22 o 64.020  4.8333  517.222    74.527   548.703    106.654  487.183    104.183  64.697  6.9005  60.724  7.2118  3.972668       9.981378 
1 1 1 -12 -42 23 f 83.439  4.4499  871.724    89.766   865.902    128.005  877.359    125.917  81.739  6.5079  82.409  6.3460  -0.6695862     9.089792 
1 1 1 -12 -42 24 o 16.580  7.0806  5.5095     50.409   15.530     77.872   -1.7179    66.134   20.640  8.8073  18.166  7.9336  2.474224       11.85373 
1 1 1 -12 -42 25 o 66.012  4.6974  548.258    74.748   517.836    110.879  573.603    101.203  62.495  7.4594  66.573  6.3418  -4.077717      9.790872 
1 1 1 -12 -42 26 o 84.468  4.4104  892.471    90.080   850.097    132.203  929.193    123.071  80.781  6.8082  85.124  5.9969  -4.342506      9.072759 
1 1 1 -12 -42 27 o 21.667  9.0025  30.281     77.990   30.281     77.990   0.0000     0.0000   21.667  9.0025  ?       ?       0.000000       9.002522 
1 1 1 -12 -42 28 o 88.002  6.5701  1003.26    139.279  1003.26    139.279  0.0000     0.0000   88.002  6.5701  ?       ?       0.000000       6.570112 
1 1 1 -12 -42 29 o 71.023  5.8321  646.056    99.618   572.728    118.230  825.523    184.964  65.696  7.5545  76.479  10.223  -10.78365      12.71155 
1 1 1 -12 -42 30 o 13.348  6.1622  -31.8216   46.636   29.312     77.446   -66.6017   58.415   21.541  8.9625  13.546  6.4515  7.994802       11.04301 
1 1 1 -12 -42 31 o 74.322  6.0446  710.101    108.062  925.333    193.254  612.192    130.343  81.184  10.023  67.486  8.1231  13.69815       12.90168 
1 1 1 -12 -42 32 o 60.918  6.1714  479.625    89.963   653.068    166.739  408.399    106.850  67.625  10.502  54.868  8.2839  12.75696       13.37625 
1 1 1 -12 -42 33 o 22.392  8.1230  59.604     56.927   141.182    137.745  42.800     62.515   32.365  12.451  21.184  8.3202  11.18107       14.97489 
1 1 1 -12 -42 34 o 41.785  6.9068  231.707    67.580   110.401    141.093  267.823    76.986   30.602  12.339  44.750  7.3451  -14.14827      14.35938 
1 1 1 -12 -42 35 o 50.750  6.9141  339.958    82.924   439.909    164.419  305.860    96.033   53.008  12.905  47.007  8.7413  6.000824       15.58651 
1 1 1 -12 -42 36 o 88.243  4.2024  970.625    89.980   1195.46    187.402  903.263    102.577  94.117  8.2909  84.512  5.0249  9.604866       9.694805 
1 1 1 -12 -42 37 o 72.142  4.3091  652.028    75.084   794.813    168.816  616.818    83.832   75.480  9.4229  69.790  4.9833  5.689827       10.65947 
1 1 1 -12 -42 38 o 37.799  5.8425  186.365    51.857   0.0000     0.0000   186.365    51.857   ?       ?       37.799  5.8425  0.000000       5.842515 
1 1 1 -12 -42 39 o 15.945  6.3403  20.128     36.722   0.0000     0.0000   20.128     36.722   ?       ?       15.945  6.3403  0.000000       6.340312 
1 1 1 -12 -42 40 o 81.707  4.8304  844.521    95.339   0.0000     0.0000   844.521    95.339   ?       ?       81.707  4.8304  0.000000       4.830374 
1 1 1 -12 -42 41 o 32.125  7.2626  141.216    55.281   25.055     125.388  169.243    61.590   24.870  10.891  35.146  7.4533  -10.27567      13.19736 
1 1 1 -12 -42 42 f 29.723  7.0363  120.810    49.958   282.131    98.258   64.568     58.017   44.204  9.4475  22.761  8.2091  21.44312       12.51579 
1 1 1 -12 -42 43 o 19.118  6.9646  42.531     41.911   -42.9204   83.268   71.524     48.503   17.786  8.2192  23.136  7.5327  -5.349791      11.14885 
1 1 1 -12 -42 44 o 24.485  6.7507  81.802     41.401   204.940    98.053   55.087     45.672   36.628  10.494  20.902  7.3082  15.72607       12.78819 
1 1 1 -12 -42 45 o 27.901  5.8797  104.219    38.550   95.899     74.298   107.284    45.094   26.358  9.3130  27.981  6.7253  -1.622629      11.48744 
1 1 1 -12 -42 46 o 22.614  6.4562  69.472     37.178   87.723     73.123   63.110     43.174   25.459  9.2108  21.755  7.1080  3.704269       11.63456 
1 1 1 -12 -42 47 o 18.360  6.4999  41.140     36.209   51.699     71.523   37.501     41.988   22.120  8.8319  18.377  6.9201  3.742765       11.22007 
1 1 1 -12 -42 48 o 23.037  6.4605  72.751     37.574   41.421     76.075   82.859     43.212   21.588  8.9241  24.425  6.9560  -2.837023      11.31485 
1 1 1 -12 -42 49 o 27.746  6.1987  105.184    40.680   59.853     80.916   120.516    47.059   23.189  9.3461  29.485  6.7264  -6.296120      11.51497 
1 1 1 -12 -42 50 o 40.094  5.3539  211.584    50.783   182.925    91.444   224.364    61.065   33.934  10.246  40.657  6.4018  -6.722713      12.08118 
1 1 1 -12 -42 51 o 45.998  5.4206  278.817    59.338   470.602    117.277  212.827    68.793   56.611  8.8256  38.682  7.6006  17.92928       11.64734 
1 1 1 -12 -42 52 o 17.544  7.0923  27.172     46.748   -22.1449   98.794   41.401     53.065   19.688  9.0452  19.519  7.6657  0.1688633      11.85665 
1 1 1 -12 -42 53 o 25.281  7.5090  92.001     49.416   144.560    105.169  77.109     55.980   29.779  11.003  23.418  8.0965  6.360888       13.66102 
1 1 1 -12 -42 54 o 24.683  8.8782  87.362     67.811   89.781     130.725  86.471     79.316   26.686  11.400  24.864  9.4758  1.821617       14.82381 
1 1 1 -12 -42 55 o 43.339  8.2844  275.202    83.942   374.390    154.118  233.367    100.092  44.351  13.281  37.677  10.537  6.673809       16.95308 
1 1 1 -12 -42 56 o 48.402  5.3690  309.250    61.994   251.940    119.262  330.468    72.568   37.834  11.754  49.423  6.1870  -11.58878      13.28264 
1 1 1 -12 -42 57 o 52.893  5.1976  366.724    65.844   588.918    130.469  290.792    76.270   63.250  8.7342  45.620  7.1230  17.63037       11.27051 
1 1 1 -12 -42 58 o 40.793  6.0721  225.159    58.270   184.973    120.748  237.358    66.529   32.531  11.826  41.330  6.8758  -8.798874      13.67949 
1 1 1 -12 -42 59 f 26.437  9.5146  104.767    77.892   156.824    192.719  94.602     85.158   30.674  13.466  25.660  9.8091  5.013906       16.65974 
1 1 1 -12 -42 60 o 27.942  9.6477  121.995    79.472   32.339     200.577  138.691    86.556   26.658  12.466  29.366  10.073  -2.708548      16.02698 
1 1 1 -12 -42 61 o 54.561  7.7770  429.630    100.045  435.005    216.976  428.179    112.745  41.495  15.706  53.002  9.0942  -11.50737      18.14923 
1 1 1 -12 -42 62 o 54.603  7.9777  437.832    102.578  480.351    238.355  428.168    113.639  41.070  16.209  52.484  9.2621  -11.41436      18.66890 
1 1 1 -12 -41 1  o 17.511  7.9379  -15.6403   72.831   1.7917     84.656   -65.2911   142.872  19.632  8.7555  21.629  10.239  -1.996649      13.47218 
1 1 1 -12 -41 2  f 18.710  8.3078  -0.0666    75.371   -29.1483   89.021   73.561     141.645  18.630  8.5692  26.800  11.660  -8.170494      14.46979 
1 1 1 -12 -41 3  o 32.666  9.9208  165.063    85.554   204.920    98.923   46.773     170.418  35.844  10.619  27.100  12.226  8.743864       16.19416 
1 1 1 -12 -41 4  o 27.107  9.7823  104.901    82.403   111.956    93.952   81.383     171.547  27.909  10.382  28.662  12.639  -0.7531509     16.35687 
1 1 1 -12 -41 5  o 25.998  9.6044  91.675     80.121   143.805    91.019   -87.7483   168.860  30.789  10.330  23.274  11.051  7.515760       15.12744 
1 1 1 -12 -41 6  o 35.368  9.7326  187.572    86.149   203.739    98.422   134.603    178.152  36.319  10.545  31.564  13.390  4.754652       17.04442 
1 1 1 -12 -41 7  o 17.186  7.9030  -35.3887   75.643   -67.5293   84.232   98.527     171.936  16.826  7.9341  30.073  12.964  -13.24687      15.19939 
1 1 1 -12 -41 8  o 29.734  9.5431  127.686    78.034   106.601    87.286   211.632    174.162  27.836  10.064  35.874  13.944  -8.038134      17.19697 
1 1 1 -12 -41 9  o 21.007  7.7976  51.074     52.936   44.277     78.668   56.699     71.561   22.442  9.1529  22.892  8.9271  -0.4499474     12.78554 
1 1 1 -12 -41 10 o 46.216  5.4164  275.230    59.588   269.874    88.232   279.721    80.797   43.941  8.5834  45.381  7.6069  -1.439865      11.46904 
1 1 1 -12 -41 11 o 67.176  4.5575  568.551    73.845   601.146    109.600  541.450    99.935   67.619  6.7710  64.349  6.4891  3.270149       9.378429 
1 1 1 -12 -41 12 o 39.780  5.9838  206.597    55.969   228.885    82.646   187.716    76.067   40.473  8.6763  36.554  8.7016  3.919182       12.28806 
1 1 1 -12 -41 13 o 47.500  5.3409  288.890    60.488   277.239    88.503   299.103    82.862   44.860  8.4406  47.216  7.4822  -2.356247      11.27947 
1 1 1 -12 -41 14 o 46.458  5.4232  276.638    59.983   248.349    87.936   301.255    82.030   42.201  8.8695  47.507  7.3538  -5.306385      11.52154 
1 1 1 -12 -41 15 o 37.313  6.1757  182.290    53.957   180.087    80.696   184.071    72.563   35.682  9.2455  36.488  8.3735  -0.8061028     12.47380 
1 1 1 -12 -41 16 o 44.803  5.5489  257.675    59.032   260.203    86.101   255.432    81.093   43.553  8.4523  43.399  7.9955  0.1545753      11.63485 
1 1 1 -12 -41 17 o 32.707  6.8756  142.897    52.833   160.219    77.511   127.866    72.205   33.748  9.2090  30.332  9.0921  3.416151       12.94113 
1 1 1 -12 -41 18 o 48.849  5.4196  304.614    63.155   338.250    91.955   274.583    86.890   50.264  7.7919  44.931  8.2748  5.332779       11.36605 
1 1 1 -12 -41 19 f 38.771  6.4212  196.952    58.292   188.276    82.723   205.509    82.156   36.591  9.2982  38.409  8.9767  -1.818005      12.92426 
1 1 1 -12 -41 20 o 64.145  4.7563  517.211    73.501   584.317    105.695  454.371    102.281  67.176  6.5685  58.715  7.3397  8.461582       9.849691 
1 1 1 -12 -41 21 o 52.357  5.1415  347.437    64.475   393.693    92.492   303.712    89.926   54.741  7.1330  47.466  8.0985  7.274471       10.79190 
1 1 1 -12 -41 22 o 43.160  5.9124  240.335    60.289   207.042    85.758   272.866    84.773   38.448  9.2950  44.972  8.0651  -6.523178      12.30628 
1 1 1 -12 -41 23 o 18.987  7.4938  30.842     50.945   -125.7787  77.926   147.746    67.325   14.295  6.9641  32.767  8.4219  -18.47233      10.92827 
1 1 1 -12 -41 24 o 102.845 4.2824  1314.69    106.864  1315.69    156.455  1313.81    146.312  101.232 6.4025  101.526 5.9656  -0.2936478     8.751023 
1 1 1 -12 -41 25 o 26.588  7.7846  95.019     53.434   154.743    82.355   51.597     70.221   33.190  9.6491  22.755  8.8517  10.43453       13.09421 
1 1 1 -12 -41 26 o 22.698  9.2664  39.428     80.731   39.428     80.731   0.0000     0.0000   22.698  9.2664  ?       ?       0.000000       9.266431 
1 1 1 -12 -41 27 o 16.504  7.6591  -50.8894   73.434   -50.8894   73.434   0.0000     0.0000   16.504  7.6591  ?       ?       0.000000       7.659057 
1 1 1 -12 -41 28 o 20.026  8.3036  23.047     66.154   -15.5483   78.060   121.418    124.622  18.897  8.4189  31.062  11.868  -12.16493      14.55096 
1 1 1 -12 -41 29 o 98.582  4.9886  1220.88    118.939  1189.42    231.433  1232.17    138.650  92.098  10.547  98.426  5.8316  -6.328461      12.05150 
1 1 1 -12 -41 30 o 16.951  5.8277  33.874     28.983   -72.0438   75.988   51.906     31.353   15.929  7.5186  20.042  5.9876  -4.112943      9.611484 
1 1 1 -12 -41 31 o 32.095  5.1678  132.321    38.879   135.275    87.277   131.590    43.426   31.215  10.100  31.774  5.8482  -0.5592499     11.67123 
1 1 1 -12 -41 32 o 43.228  5.9788  241.373    61.032   252.402    95.329   233.712    79.449   42.435  9.4956  41.489  8.1828  0.9457779      12.53491 
1 1 1 -12 -41 33 o 58.251  6.1142  436.461    85.130   430.998    158.949  438.658    100.807  53.430  12.485  57.681  7.3712  -4.251366      14.49882 
1 1 1 -12 -41 34 o 30.987  8.1344  131.552    61.937   96.661     139.383  140.137    69.138   30.078  12.216  31.814  8.7042  -1.735712      14.99961 
1 1 1 -12 -41 35 o 43.761  7.0253  253.020    72.073   339.458    144.566  224.429    83.143   47.188  12.447  40.298  8.7536  6.889706       15.21675 
1 1 1 -12 -41 36 f 31.536  7.6056  135.083    57.523   -19.8655   130.985  172.106    64.027   23.838  10.740  35.665  7.6295  -11.82714      13.17421 
1 1 1 -12 -41 37 o 45.435  5.0029  262.124    54.239   0.0000     0.0000   262.124    54.239   ?       ?       45.435  5.0029  0.000000       5.002861 
1 1 1 -12 -41 38 o 25.078  6.7710  84.152     42.165   0.0000     0.0000   84.152     42.165   ?       ?       25.078  6.7710  0.000000       6.771044 
1 1 1 -12 -41 39 o 29.770  6.7026  118.632    47.249   0.0000     0.0000   118.632    47.249   ?       ?       29.770  6.7026  0.000000       6.702627 
1 1 1 -12 -41 40 o 51.828  4.3920  337.593    54.713   268.418    109.953  360.358    63.077   42.759  10.640  53.323  4.9310  -10.56419      11.72746 
1 1 1 -12 -41 41 o 33.381  5.1885  143.719    40.659   125.316    76.014   151.094    48.122   29.879  9.4003  33.896  6.0742  -4.016563      11.19203 
1 1 1 -12 -41 42 o 67.451  5.1761  578.682    84.068   546.510    142.890  595.714    103.965  62.055  9.8164  67.625  6.4127  -5.569729      11.72536 
1 1 1 -12 -41 43 o 49.479  5.5761  315.689    65.778   276.209    117.723  333.609    79.314   42.636  11.225  50.268  6.6672  -7.632034      13.05594 
1 1 1 -12 -41 44 o 19.424  7.2126  42.163     45.299   45.317     86.920   40.987     53.076   23.205  9.5605  19.995  7.7185  3.210035       12.28733 
1 1 1 -12 -41 45 o 9.0977  4.4133  -48.7553   30.398   -72.1247   78.752   -44.6637   32.952   16.050  7.5993  9.8770  4.7419  6.173103       8.957416 
1 1 1 -12 -41 46 o 8.6066  4.1851  -46.4110   27.777   -66.7570   61.809   -41.2619   31.094   13.924  6.6328  9.6476  4.6250  4.276551       8.086109 
1 1 1 -12 -41 47 f 44.629  4.6622  254.345    49.741   277.749    90.791   244.307    59.459   44.087  8.7955  43.143  5.8292  0.9449158      10.55182 
1 1 1 -12 -41 48 o 16.643  6.2871  29.030     34.723   68.371     72.809   17.448     39.505   23.722  9.0697  15.905  6.4865  7.817067       11.15051 
1 1 1 -12 -41 49 o 34.604  5.7317  158.715    46.440   209.287    85.766   137.737    55.239   37.437  9.4428  31.368  7.3807  6.068787       11.98506 
1 1 1 -12 -41 50 o 31.567  6.3228  135.339    46.740   223.036    85.403   97.841     55.846   38.723  9.2216  26.223  8.0260  12.50022       12.22519 
1 1 1 -12 -41 51 o 30.652  6.7885  130.173    49.158   83.162     88.964   150.836    58.980   25.359  9.9359  32.585  7.5992  -7.226168      12.50878 
1 1 1 -12 -41 52 o 27.834  7.3178  110.001    50.076   88.768     104.044  116.403    57.128   26.193  10.583  28.337  7.9730  -2.144213      13.25050 
1 1 1 -12 -41 53 o 16.568  6.8585  18.531     45.025   -1.1794    99.699   23.582     50.465   20.805  9.3721  17.663  7.2818  3.141993       11.86850 
1 1 1 -12 -41 54 o 33.032  7.4871  155.879    58.623   248.250    190.253  146.189    61.621   35.117  14.268  31.630  8.0183  3.486639       16.36681 
1 1 1 -12 -41 55 o 16.620  7.4062  -5.5688    60.443   0.0000     0.0000   -5.5688    60.443   ?       ?       16.620  7.4062  0.000000       7.406229 
1 1 1 -12 -41 56 o 24.496  8.9765  83.782     69.770   246.771    135.465  24.937     81.396   36.722  12.601  20.634  8.9074  16.08858       15.43110 
1 1 1 -12 -41 57 o 62.013  4.9866  499.033    74.398   489.307    140.457  502.826    87.714   55.323  10.851  61.412  5.9615  -6.089252      12.38098 
1 1 1 -12 -41 58 o 26.525  7.5962  101.188    51.386   213.354    103.820  64.793     59.138   35.895  10.935  22.289  8.2480  13.60618       13.69661 
1 1 1 -12 -41 59 o 29.502  7.6274  125.599    55.001   42.030     106.628  155.896    64.201   23.378  10.143  32.602  8.1406  -9.224016      13.00603 
1 1 1 -12 -41 60 o 20.102  8.5895  26.391     74.250   239.637    195.314  -9.6341    80.277   34.396  14.265  18.554  8.3792  15.84185       16.54419 
1 1 1 -12 -41 61 o 29.501  10.084  138.955    86.739   33.568     207.891  161.168    95.444   27.097  12.678  31.263  10.578  -4.166492      16.51133 
1 1 1 -12 -41 62 o 68.607  7.3171  663.663    119.927  906.280    262.773  599.832    134.783  62.693  16.893  62.972  9.0838  -0.2791100     19.18059 
1 1 1 -12 -40 1  o 33.971  9.8072  176.394    85.343   232.040    102.046  46.909     155.664  38.386  10.605  26.672  11.886  11.71352       15.92878 
1 1 1 -12 -40 2  o 30.928  9.7980  143.680    82.463   197.982    99.300   23.015     148.023  35.564  10.663  25.546  11.472  10.01816       15.66198 
1 1 1 -12 -40 3  o 36.831  9.9137  204.396    90.554   169.855    107.034  291.377    169.851  33.025  11.202  40.112  14.090  -7.087479      17.99998 
1 1 1 -12 -40 4  f 42.037  9.4603  258.265    94.163   233.368    108.893  332.068    187.484  38.719  11.048  42.364  14.807  -3.645184      18.47455 
1 1 1 -12 -40 5  o 64.692  7.5290  565.661    115.972  442.089    138.547  854.920    211.973  54.198  10.913  74.134  12.209  -19.93592      16.37546 
1 1 1 -12 -40 6  o 17.844  8.0354  -18.9837   73.202   -28.8668   82.709   16.742     157.254  18.455  8.4020  26.522  11.873  -8.066666      14.54509 
1 1 1 -12 -40 7  o 25.444  9.1354  83.460     71.767   74.693     79.693   121.075    165.065  25.037  9.5086  31.609  13.112  -6.572395      16.19715 
1 1 1 -12 -40 8  o 56.695  7.4004  429.209    99.377   415.432    115.801  467.706    193.578  54.584  9.0611  52.512  14.642  2.072498       17.21896 
1 1 1 -12 -40 9  o 61.998  7.1291  507.684    105.292  476.016    123.972  589.660    199.462  58.664  8.9965  60.593  13.867  -1.929333      16.52935 
1 1 1 -12 -40 10 o 29.448  9.1895  120.400    72.809   147.123    83.584   36.334     148.249  32.169  9.8140  27.312  11.904  4.856583       15.42821 
1 1 1 -12 -40 11 o 35.198  8.7168  172.586    74.055   195.251    90.304   126.047    129.403  36.915  9.8848  31.281  12.058  5.633913       15.59201 
1 1 1 -12 -40 12 o 52.724  7.1918  366.763    89.605   267.110    108.933  575.275    157.572  42.949  10.533  63.562  10.589  -20.61321      14.93607 
1 1 1 -12 -40 13 o 69.362  6.3210  619.847    105.215  559.412    132.042  724.960    174.139  64.258  8.6918  71.857  10.281  -7.598923      13.46250 
1 1 1 -12 -40 14 o 21.324  7.4188  55.169     47.036   -14.5902   72.352   106.234    61.903   18.237  8.1166  27.981  8.4256  -9.743914      11.69913 
1 1 1 -12 -40 15 o 33.509  6.7518  148.803    52.999   158.540    77.232   140.135    72.863   33.712  9.1896  31.796  9.0247  1.916292       12.88001 
1 1 1 -12 -40 16 o 71.984  4.4106  646.782    76.665   685.573    113.120  613.827    104.263  72.980  6.4547  69.134  6.2841  3.845757       9.008453 
1 1 1 -12 -40 17 o 33.892  6.9369  152.538    55.125   149.734    78.742   155.232    77.198   32.788  9.4071  33.404  9.2216  -0.6165695     13.17320 
1 1 1 -12 -40 18 o 49.079  5.2072  305.306    61.063   336.823    86.185   273.537    86.530   50.634  7.2193  45.044  8.2199  5.590530       10.94010 
1 1 1 -12 -40 19 o 32.832  6.9777  143.328    53.873   56.257     77.539   224.585    74.906   23.797  9.2891  40.920  7.8294  -17.12387      12.14853 
1 1 1 -12 -40 20 o 87.755  4.3479  956.372    92.580   956.068    132.516  956.662    129.394  86.410  6.3651  86.551  6.2025  -0.1407852     8.887405 
1 1 1 -12 -40 21 o 75.663  4.4965  714.291    82.180   683.699    116.824  744.259    115.626  72.820  6.6864  76.241  6.3069  -3.421211      9.191634 
1 1 1 -12 -40 22 o 50.601  5.3237  324.620    64.383   270.311    92.409   375.850    89.752   44.481  8.8732  53.659  7.0653  -9.178051      11.34252 
1 1 1 -12 -40 23 o 33.053  7.2274  145.779    56.349   93.674     86.084   184.842    74.536   27.529  9.9886  36.785  8.5185  -9.256096      13.12775 
1 1 1 -12 -40 24 o 65.569  5.1896  541.742    81.890   536.783    109.381  548.066    123.525  64.227  7.1396  64.306  8.0961  -0.7887268E-01 10.79445 
1 1 1 -12 -40 25 o 54.743  7.7665  396.097    100.269  396.097    100.269  0.0000     0.0000   54.743  7.7665  ?       ?       0.000000       7.766458 
1 1 1 -12 -40 26 o 136.629 6.4986  2381.10    215.439  2381.10    215.439  0.0000     0.0000   136.629 6.4986  ?       ?       0.000000       6.498588 
1 1 1 -12 -40 27 o 57.248  4.8941  411.886    67.329   408.319    101.231  414.716    90.163   55.630  7.7066  56.618  6.6926  -0.9876404     10.20701 
1 1 1 -12 -40 28 o 67.277  4.5082  565.034    73.168   565.675    110.720  564.537    97.489   66.028  7.0185  66.477  6.1124  -0.4492340     9.307009 
1 1 1 -12 -40 29 o 36.058  4.7676  164.665    40.690   275.018    84.341   131.189    46.453   45.372  7.9508  31.641  6.2723  13.73136       10.12702 
1 1 1 -12 -40 30 o 45.505  4.3110  259.060    47.032   345.376    94.166   230.371    54.288   51.002  7.8619  42.528  5.3815  8.474312       9.527334 
1 1 1 -12 -40 31 o 63.739  3.8498  503.596    59.260   636.242    108.081  446.578    70.861   70.421  6.3951  59.594  4.9452  10.82655       8.084084 
1 1 1 -12 -40 32 o 76.450  3.8097  721.809    70.670   891.842    124.349  640.691    85.889   83.593  6.1744  71.421  4.9875  12.17196       7.937137 
1 1 1 -12 -40 33 o 27.744  5.7148  100.398    37.191   172.008    87.901   84.784     41.045   34.979  9.9069  25.292  6.6134  9.686884       11.91150 
1 1 1 -12 -40 34 o 44.579  6.9342  260.465    72.568   316.376    149.116  243.114    83.068   45.615  12.898  42.349  8.3807  3.266232       15.38139 
1 1 1 -12 -40 35 o 37.114  7.5009  184.271    65.224   192.396    143.413  182.152    73.237   36.483  12.934  36.502  8.4379  -0.1863480E-01 15.44267 
1 1 1 -12 -40 36 o 61.287  7.3667  492.672    107.354  0.0000     0.0000   492.672    107.354  ?       ?       61.287  7.3667  0.000000       7.366747 
1 1 1 -12 -40 37 o 29.473  8.6196  118.637    65.545   0.0000     0.0000   118.637    65.545   ?       ?       29.473  8.6196  0.000000       8.619637 
1 1 1 -12 -40 38 o 20.333  6.7002  51.701     38.332   0.0000     0.0000   51.701     38.332   ?       ?       20.333  6.7002  0.000000       6.700196 
1 1 1 -12 -40 39 o 62.126  4.2206  481.492    63.245   644.341    121.484  420.946    74.075   70.155  7.2409  57.582  5.3635  12.57291       9.010962 
1 1 1 -12 -40 40 o 31.789  5.4047  130.609    40.196   185.799    71.327   104.924    48.659   36.863  8.1875  27.925  7.1504  8.938534       10.87030 
1 1 1 -12 -40 41 o 30.778  5.4209  122.755    39.004   52.028     73.761   150.208    45.954   23.007  9.0371  33.988  5.7791  -10.98161      10.72698 
1 1 1 -12 -40 42 o 15.315  6.0209  19.148     32.767   50.964     65.310   8.4455     37.879   22.198  8.5638  14.933  6.2451  7.264916       10.59907 
1 1 1 -12 -40 43 o 62.064  5.2328  489.509    78.068   550.408    136.155  459.681    95.288   63.093  9.1617  59.261  6.7471  3.831856       11.37801 
1 1 1 -12 -40 44 o 45.011  5.7384  261.846    61.247   249.239    107.493  267.906    74.528   41.059  10.686  44.852  7.0832  -3.793789      12.82067 
1 1 1 -12 -40 45 o 19.607  7.2962  42.418     46.405   -22.7272   90.033   65.986     54.153   19.657  8.8758  22.845  7.9596  -3.188208      11.92205 
1 1 1 -12 -40 46 o 9.6647  4.6063  -36.6694   29.896   -59.9869   65.268   -30.4783   33.631   14.788  6.9763  10.878  5.0925  3.910118       8.637266 
1 1 1 -12 -40 47 o 52.032  4.3126  341.416    53.956   385.150    97.648   322.195    64.736   53.153  7.8037  49.992  5.4237  3.160370       9.503395 
1 1 1 -12 -40 48 f 35.916  5.6552  169.062    47.653   180.268    85.620   164.033    57.357   34.911  9.7390  34.693  7.0540  0.2181969      12.02525 
1 1 1 -12 -40 49 o 25.407  6.7594  88.314     42.399   58.983     76.809   101.167    50.847   23.274  9.1965  26.963  7.4993  -3.689016      11.86655 
1 1 1 -12 -40 50 o 38.132  5.3897  189.847    48.478   293.235    89.133   146.417    57.770   45.545  8.3742  32.377  7.5007  13.16751       11.24219 
1 1 1 -12 -40 51 o 33.684  5.8416  151.003    46.013   177.390    83.274   139.407    55.207   34.310  9.6164  31.585  7.3428  2.725220       12.09924 
1 1 1 -12 -40 52 o 14.513  6.3708  -3.1492    43.130   -93.4131   95.395   20.043     48.355   16.982  8.1305  17.223  7.1169  -0.2410870     10.80533 
1 1 1 -12 -40 53 o 20.379  7.3580  52.078     46.630   79.729     95.658   43.460     53.404   25.393  10.187  19.921  7.7276  5.472143       12.78653 
1 1 1 -12 -40 54 o 52.864  5.6474  368.176    71.318   297.968    207.551  377.575    75.942   37.723  15.050  53.296  5.9754  -15.57306      16.19305 
1 1 1 -12 -40 55 o 22.839  8.3849  68.711     60.918   95.010     99.322   52.852     77.129   26.436  10.454  22.343  9.0821  4.092928       13.84810 
1 1 1 -12 -40 56 o 30.176  8.6131  135.404    66.176   223.134    119.307  96.419     79.532   36.034  11.818  26.003  9.5756  10.03098       15.21042 
1 1 1 -12 -40 57 o 61.539  6.8434  516.548    100.453  442.249    165.920  559.541    126.214  49.140  13.500  62.206  8.5913  -13.06570      16.00219 
1 1 1 -12 -40 58 o 26.713  7.5340  101.931    50.947   89.575     97.706   106.545    59.707   26.010  10.342  27.040  8.3026  -1.029821      13.26256 
1 1 1 -12 -40 59 o 29.413  7.6664  124.192    55.271   32.610     108.265  156.473    64.278   23.157  10.131  32.799  8.1199  -9.642612      12.98348 
1 1 1 -12 -40 60 o 23.642  9.4667  66.296     82.433   319.671    197.907  13.110     90.673   38.852  14.929  20.819  9.1845  18.03276       17.52834 
1 1 1 -12 -40 61 o 31.576  10.059  157.977    86.827   129.255    213.996  163.637    94.998   30.507  13.738  31.810  10.551  -1.302816      17.32220 
1 1 1 -12 -40 62 o 51.915  9.0818  403.980    110.234  358.887    251.087  414.746    122.690  37.752  15.949  51.350  10.207  -13.59857      18.93562 
1 1 1 -12 -40 63 o 26.291  9.9283  104.202    86.570   267.324    230.827  77.503     93.386   34.074  14.853  24.469  9.9754  9.604073       17.89186 
1 1 1 -12 -39 1  o 25.074  7.8729  86.648     53.349   136.162    84.728   54.123     68.671   30.416  9.9584  22.328  8.7346  8.087980       13.24627 
1 1 1 -12 -39 2  o 17.683  7.2090  22.524     48.774   28.125     74.491   18.320     64.529   20.858  8.7430  19.146  8.0870  1.712543       11.90961 
1 1 1 -12 -39 3  o 27.937  7.8517  108.327    55.436   48.880     87.988   147.458    71.386   23.516  9.6456  32.133  8.8665  -8.617048      13.10163 
1 1 1 -12 -39 4  o 91.331  4.6371  1050.59    102.424  1044.71    153.319  1055.33    137.645  88.852  7.1727  90.125  6.3346  -1.273682      9.569462 
1 1 1 -12 -39 5  o 45.076  6.1515  265.085    65.523   319.959    103.180  228.001    84.821   47.674  9.2534  40.271  8.9160  7.403015       12.84992 
1 1 1 -12 -39 6  o 22.216  7.6489  61.867     49.936   28.434     70.897   94.783     70.347   20.801  8.6081  26.692  9.0812  -5.891846      12.51269 
1 1 1 -12 -39 7  o 50.750  6.7891  337.887    81.505   351.414    91.489   285.853    179.434  51.318  7.5752  41.814  14.493  9.503437       16.35356 
1 1 1 -12 -39 8  o 45.356  8.0737  278.208    85.596   292.517    97.985   232.113    175.865  45.918  9.1161  38.741  14.243  7.177284       16.91070 
1 1 1 -12 -39 9  o 24.282  8.9451  69.307     69.414   35.884     77.211   210.175    158.513  22.096  9.0462  37.490  13.562  -15.39406      16.30197 
1 1 1 -12 -39 10 o 23.883  8.6836  67.582     65.108   104.916    75.892   -36.4931   126.713  28.089  9.4329  22.925  10.422  5.163746       14.05730 
1 1 1 -12 -39 11 o 43.293  7.7390  250.538    78.312   243.928    94.302   265.223    140.566  41.790  9.5136  41.835  12.719  -0.4582596E-01 15.88324 
1 1 1 -12 -39 12 o 56.869  6.6377  418.653    89.869   428.103    111.495  401.125    151.839  56.509  8.3860  52.001  12.238  4.507362       14.83532 
1 1 1 -12 -39 13 f 22.254  8.5718  49.656     65.350   40.718     78.874   69.224     116.708  22.717  9.2022  27.492  11.173  -4.775539      14.47484 
1 1 1 -12 -39 14 o 38.046  8.5017  197.300    76.507   172.605    91.726   253.755    138.690  35.015  10.184  41.194  12.655  -6.179295      16.24398 
1 1 1 -12 -39 15 o 59.880  6.6797  462.994    95.397   464.669    117.763  459.798    162.704  58.950  8.4769  55.907  12.326  3.043587       14.95942 
1 1 1 -12 -39 16 o 50.762  7.3728  338.188    88.154   352.657    106.050  305.833    158.582  51.029  8.8880  44.736  13.489  6.293049       16.15393 
1 1 1 -12 -39 17 o 32.497  6.8554  139.620    52.355   172.402    75.669   109.516    72.513   35.457  8.8291  28.652  9.1997  6.804945       12.75100 
1 1 1 -12 -39 18 o 25.592  7.6852  86.413     51.553   54.075     73.001   118.587    72.814   23.353  9.0416  29.640  9.1800  -6.286861      12.88498 
1 1 1 -12 -39 19 o 50.342  5.1030  319.553    61.473   338.066    87.828   301.773    86.071   50.823  7.3343  47.807  7.6799  3.015720       10.61946 
1 1 1 -12 -39 20 o 23.507  7.7012  70.103     50.669   125.692    72.234   16.259     71.091   30.438  9.0872  20.219  8.5115  10.21878       12.45084 
1 1 1 -12 -39 21 o 28.506  7.4829  108.515    52.414   100.626    76.983   115.333    71.562   27.930  9.4998  29.319  9.1041  -1.388887      13.15798 
1 1 1 -12 -39 22 f 90.964  4.2844  1024.34    94.562   944.431    136.791  1097.48    130.868  85.950  6.6098  93.214  5.8151  -7.263657      8.803712 
1 1 1 -12 -39 23 o 84.453  4.7874  889.805    97.698   897.771    127.279  878.381    152.428  84.002  6.2902  82.123  7.7408  1.879013       9.974339 
1 1 1 -12 -39 24 o 90.453  6.2629  1039.64    136.609  1039.64    136.609  0.0000     0.0000   90.453  6.2629  ?       ?       0.000000       6.262854 
1 1 1 -12 -39 25 o 75.169  6.5247  722.048    117.824  722.048    117.824  0.0000     0.0000   75.169  6.5247  ?       ?       0.000000       6.524673 
1 1 1 -12 -39 26 o 79.758  4.3674  790.070    84.200   890.870    122.597  700.072    115.842  83.825  6.0686  74.015  6.5168  9.809891       8.904878 
1 1 1 -12 -39 27 o 95.916  4.1696  1137.41    97.039   1175.06    143.318  1105.54    131.864  96.254  6.1689  93.566  5.8374  2.688263       8.492982 
1 1 1 -12 -39 28 o 80.783  4.1138  808.431    80.369   964.132    123.839  695.134    105.638  87.326  5.8788  74.067  5.9277  13.25861       8.348474 
1 1 1 -12 -39 29 o 87.642  3.7300  946.217    79.321   1172.31    131.808  817.843    99.319   96.460  5.6563  80.808  5.0914  15.65206       7.610304 
1 1 1 -12 -39 30 o 19.497  6.1959  47.642     32.956   7.8010     79.730   55.852     36.193   20.641  8.8624  20.927  6.4706  -0.2853107     10.97316 
1 1 1 -12 -39 31 o 22.614  5.9359  66.818     32.984   -55.8009   80.334   91.681     36.174   17.311  8.0256  26.518  5.7848  -9.206167      9.893167 
1 1 1 -12 -39 32 f 51.185  4.0295  325.575    49.640   310.355    98.649   330.735    57.442   47.936  8.8060  51.390  4.6573  -3.454002      9.961684 
1 1 1 -12 -39 33 o 22.602  6.0482  66.806     33.821   112.796    78.526   56.331     37.476   29.153  9.5891  21.039  6.5973  8.113800       11.63935 
1 1 1 -12 -39 34 o 33.875  5.0545  146.162    40.274   230.900    87.602   123.451    45.351   41.060  9.0378  30.698  6.2998  10.36253       11.01675 
1 1 1 -12 -39 35 o 47.629  7.7781  300.541    86.785   0.0000     0.0000   300.541    86.785   ?       ?       47.629  7.7781  0.000000       7.778053 
1 1 1 -12 -39 36 o 62.160  7.3180  503.820    108.261  0.0000     0.0000   503.820    108.261  ?       ?       62.160  7.3180  0.000000       7.318037 
1 1 1 -12 -39 37 f 41.987  8.1436  236.984    79.970   0.0000     0.0000   236.984    79.970   ?       ?       41.987  8.1436  0.000000       8.143573 
1 1 1 -12 -39 38 o 28.100  8.2820  106.255    60.304   218.741    140.458  80.834     66.771   38.526  12.832  25.417  8.8394  13.10894       15.58184 
1 1 1 -12 -39 39 o 57.133  3.7954  404.703    52.316   405.540    87.648   404.239    65.206   56.026  6.5723  56.747  4.7802  -0.7205429     8.126814 
1 1 1 -12 -39 40 o 35.183  4.9226  157.432    40.874   232.809    73.603   123.823    49.148   41.829  7.5289  30.530  6.8080  11.29840       10.15053 
1 1 1 -12 -39 41 o 19.368  6.3700  46.546     34.653   -31.1708   63.926   78.886     41.237   16.195  7.3781  24.399  6.7416  -8.204683      9.994273 
1 1 1 -12 -39 42 o 13.235  5.7018  -0.7196    33.214   10.601     67.363   -4.3556    38.177   19.252  8.2027  13.832  6.0348  5.419887       10.18347 
1 1 1 -12 -39 43 o 44.601  4.4323  250.003    47.331   280.335    84.396   236.086    57.167   45.672  7.9016  42.881  5.6305  2.791862       9.702486 
1 1 1 -12 -39 44 o 35.179  6.6453  163.796    54.645   113.226    103.892  183.137    64.250   29.572  10.934  36.898  7.4334  -7.326031      13.22173 
1 1 1 -12 -39 45 o 18.002  6.9352  30.883     42.784   22.567     89.250   33.365     48.751   22.207  9.4511  18.934  7.3726  3.272436       11.98661 
1 1 1 -12 -39 46 o 36.630  6.6512  178.138    56.939   43.865     110.419  226.776    66.456   25.103  10.590  41.329  6.8681  -16.22582      12.62183 
1 1 1 -12 -39 47 o 90.887  4.0019  1028.09    88.255   959.038    144.548  1069.14    111.437  85.335  7.0440  91.906  5.0161  -6.570541      8.647499 
1 1 1 -12 -39 48 o 31.364  5.9929  130.117    43.945   169.690    78.178   111.837    53.134   34.376  9.1938  28.491  7.5607  5.884945       11.90336 
1 1 1 -12 -39 49 o 21.002  6.9192  57.053     40.879   71.491     76.898   51.365     48.264   24.492  9.3311  20.704  7.4843  3.788218       11.96178 
1 1 1 -12 -39 50 o 29.972  6.4469  121.201    45.493   -1.8635    78.851   182.606    55.699   19.369  8.5538  36.966  6.4442  -17.59647      10.70961 
1 1 1 -12 -39 51 f 22.304  6.8906  66.897     41.053   42.072     73.756   78.041     49.415   21.718  8.8607  23.930  7.5851  -2.212811      11.66382 
1 1 1 -12 -39 52 o 28.476  6.5585  110.728    44.381   69.707     79.272   129.455    53.562   24.177  9.4048  30.477  7.3322  -6.300825      11.92522 
1 1 1 -12 -39 53 o 32.517  6.8826  145.533    52.611   131.316    94.546   151.909    63.320   29.617  10.501  32.593  8.0534  -2.976175      13.23374 
1 1 1 -12 -39 54 o 28.344  7.9310  115.090    56.691   133.949    176.582  112.922    59.860   30.894  13.225  27.973  8.2534  2.921232       15.58877 
1 1 1 -12 -39 55 o 24.277  7.6218  82.482     50.001   203.430    95.433   36.717     58.704   35.940  10.369  19.752  7.9607  16.18827       13.07266 
1 1 1 -12 -39 56 o 22.600  8.3636  65.605     60.810   101.885    100.108  44.390     76.552   27.100  10.561  21.771  8.9712  5.329147       13.85725 
1 1 1 -12 -39 57 o 47.364  7.6880  314.662    85.325   236.099    142.585  358.490    106.498  36.314  12.894  49.189  9.2628  -12.87458      15.87610 
1 1 1 -12 -39 58 o 35.855  6.4649  175.016    54.175   265.117    103.211  140.750    63.648   41.148  10.348  31.060  8.2905  10.08721       13.25933 
1 1 1 -12 -39 59 o 44.266  5.8189  259.657    60.985   205.482    113.893  281.434    72.209   35.178  11.547  45.482  6.7478  -10.30352      13.37425 
1 1 1 -12 -39 60 o 20.121  7.4984  48.464     49.048   127.657    95.391   20.003     57.187   29.040  10.518  18.185  7.6434  10.85510       13.00204 
1 1 1 -12 -39 61 o 43.535  9.5818  286.974    98.471   466.031    239.722  250.628    108.004  44.559  16.583  39.313  10.928  5.246075       19.85982 
1 1 1 -12 -39 62 o 32.744  10.252  170.882    90.536   -221.4333  231.421  241.778    98.377   23.394  11.520  39.054  10.252  -15.65973      15.42121 
1 1 1 -12 -39 63 o 18.713  8.3829  -2.9432    78.529   -282.4049  222.235  36.930     83.944   21.799  10.833  21.515  9.1614  0.2840748      14.18729 
1 1 1 -12 -38 1  o 31.064  6.7202  130.017    49.180   168.186    67.856   87.784     71.379   34.724  8.1871  25.840  9.1283  8.884342       12.26194 
1 1 1 -12 -38 2  f 25.056  7.0683  84.747     44.838   102.390    58.823   60.280     69.272   27.296  8.2120  23.219  8.8539  4.077265       12.07594 
1 1 1 -12 -38 3  o 66.503  4.8154  557.905    77.178   653.063    112.991  474.680    105.669  70.790  6.6564  59.756  7.4497  11.03402       9.990236 
1 1 1 -12 -38 4  o 51.222  5.6283  336.168    68.799   473.750    107.500  240.725    89.537   59.711  7.5914  41.482  9.1421  18.22964       11.88308 
1 1 1 -12 -38 5  o 20.097  7.4161  44.523     47.744   54.973     68.227   34.495     66.834   22.856  8.7698  20.974  8.4797  1.881395       12.19893 
1 1 1 -12 -38 6  o 29.651  7.2521  118.239    51.744   79.664     73.808   155.522    72.562   25.544  9.2520  33.510  8.8083  -7.966415      12.77438 
1 1 1 -12 -38 7  o 79.771  4.4755  794.067    86.276   773.626    124.920  812.711    119.300  77.412  6.7172  79.694  6.2187  -2.282127      9.153850 
1 1 1 -12 -38 8  o 34.403  6.4814  155.285    52.120   132.118    76.830   175.034    70.938   30.997  9.3986  35.843  8.3172  -4.845583      12.55027 
1 1 1 -12 -38 9  o 24.911  7.1190  82.120     45.180   115.614    66.802   53.883     61.336   29.214  8.7427  22.341  8.3735  6.873285       12.10579 
1 1 1 -12 -38 10 o 18.597  7.0332  34.325     43.483   -56.8810   64.409   110.708    58.943   15.006  7.0322  28.666  8.1103  -13.66076      10.73443 
1 1 1 -12 -38 11 o 45.949  6.7804  274.591    73.323   305.001    86.146   194.634    139.686  48.059  7.6434  36.902  12.788  11.15747       14.89795 
1 1 1 -12 -38 12 o 15.433  6.9429  -20.9652   54.499   -3.5496    62.362   -77.2590   112.119  17.735  7.7259  20.146  9.3873  -2.410072      12.15779 
1 1 1 -12 -38 13 o 39.276  8.1235  207.151    74.862   146.385    91.599   329.389    129.916  32.635  10.325  47.942  11.345  -15.30692      15.34000 
1 1 1 -12 -38 14 o 50.266  7.0494  328.524    83.614   338.155    103.452  310.381    141.994  50.110  8.8312  45.925  12.436  4.184731       15.25297 
1 1 1 -12 -38 15 o 60.137  6.6759  464.751    95.768   428.508    120.155  527.875    158.573  56.428  9.0841  61.399  11.050  -4.971142      14.30486 
1 1 1 -12 -38 16 o 40.407  8.7330  221.010    83.123   151.547    97.270   409.077    160.050  33.261  10.652  52.854  12.649  -19.59316      16.53682 
1 1 1 -12 -38 17 o 19.937  8.4037  14.137     69.451   -45.4707   78.856   220.269    146.642  17.639  8.0955  39.128  13.112  -21.48965      15.41006 
1 1 1 -12 -38 18 o 68.344  6.6715  597.496    109.223  527.034    133.059  743.053    191.242  62.874  8.9766  73.216  11.114  -10.34178      14.28649 
1 1 1 -12 -38 19 o 27.428  9.0995  96.720     70.657   107.425    79.625   57.067     153.250  28.815  9.6621  29.600  12.481  -0.7849770     15.78352 
1 1 1 -12 -38 20 f 65.151  4.5593  528.094    71.620   514.662    101.796  541.260    100.785  63.406  6.7189  65.165  6.4592  -1.759079      9.320130 
1 1 1 -12 -38 21 o 21.554  7.6414  53.551     50.060   118.448    72.877   -4.4288    68.883   29.823  9.1754  18.637  8.1192  11.18581       12.25188 
1 1 1 -12 -38 22 o 65.407  5.0393  534.841    79.359   498.551    105.148  582.874    120.969  62.247  7.0882  67.105  7.5612  -4.858372      10.36408 
1 1 1 -12 -38 23 o 35.579  9.4036  172.701    82.408   172.701    82.408   0.0000     0.0000   35.579  9.4036  ?       ?       0.000000       9.403630 
1 1 1 -12 -38 24 o 66.150  6.7234  559.011    106.415  559.011    106.415  0.0000     0.0000   66.150  6.7234  ?       ?       0.000000       6.723402 
1 1 1 -12 -38 25 o 12.008  5.7000  -52.3476   44.862   38.581     71.355   -111.7823  57.689   22.079  8.8195  11.864  5.8242  10.21591       10.56905 
1 1 1 -12 -38 26 o 68.902  4.2634  588.226    70.927   711.060    112.207  506.487    91.532   74.933  6.2278  63.248  6.0377  11.68460       8.674058 
1 1 1 -12 -38 27 o 36.685  5.6642  171.884    48.795   231.640    84.878   142.386    59.634   41.535  8.7006  32.735  7.6462  8.800640       11.58299 
1 1 1 -12 -38 28 f 61.537  3.8424  467.780    57.086   527.020    103.721  442.039    68.373   64.184  6.7618  59.524  4.7742  4.659939       8.277388 
1 1 1 -12 -38 29 o 24.995  5.6993  81.164     33.799   85.497     80.304   80.232     37.259   26.812  9.6596  24.778  6.2098  2.034569       11.48346 
1 1 1 -12 -38 30 o 62.263  3.8846  479.158    58.394   602.511    105.027  423.964    70.254   68.841  6.3595  58.187  5.0253  10.65384       8.105391 
1 1 1 -12 -38 31 o 21.513  6.0600  59.884     32.983   28.628     78.299   66.626     36.367   21.984  9.0677  22.643  6.3580  -0.6590843     11.07459 
1 1 1 -12 -38 32 o 69.234  3.7895  591.755    63.418   607.309    112.783  584.563    76.691   68.832  6.8436  68.517  4.6404  0.3152771      8.268481 
1 1 1 -12 -38 33 o 21.416  6.0613  59.367     32.917   52.998     80.721   60.637     36.050   24.021  9.4481  21.689  6.4066  2.332209       11.41537 
1 1 1 -12 -38 34 o 33.378  5.6353  143.117    44.015   0.0000     0.0000   143.117    44.015   ?       ?       33.378  5.6353  0.000000       5.635323 
1 1 1 -12 -38 35 o 61.173  4.6775  467.147    68.902   0.0000     0.0000   467.147    68.902   ?       ?       61.173  4.6775  0.000000       4.677495 
1 1 1 -12 -38 36 o 50.021  7.5999  328.419    89.338   0.0000     0.0000   328.419    89.338   ?       ?       50.021  7.5999  0.000000       7.599878 
1 1 1 -12 -38 37 o 42.485  6.7467  234.717    67.223   129.381    136.861  268.211    77.174   32.553  12.437  45.243  7.2767  -12.69025      14.40968 
1 1 1 -12 -38 38 o 19.660  7.2354  41.498     45.398   -2.3302    81.516   61.205     54.660   20.216  8.8190  22.680  7.9907  -2.464006      11.90066 
1 1 1 -12 -38 39 o 33.663  7.2847  150.661    57.773   143.597    102.284  153.971    70.011   32.498  10.951  33.626  8.5590  -1.127964      13.89871 
1 1 1 -12 -38 40 o 13.606  5.5809  9.0643     29.457   -13.6085   59.542   16.412     33.895   16.667  7.3931  15.238  6.0813  1.428740       9.572837 
1 1 1 -12 -38 41 o 28.344  5.7527  104.576    38.212   110.685    70.402   102.025    45.497   28.731  9.0479  27.725  6.8120  1.005552       11.32548 
1 1 1 -12 -38 42 o 37.727  4.7807  180.003    42.781   177.277    77.767   181.185    51.229   35.865  8.9618  37.499  5.8189  -1.634071      10.68517 
1 1 1 -12 -38 43 o 71.772  3.8678  638.318    67.108   686.461    112.909  612.022    83.447   73.127  6.4287  69.806  4.9589  3.320343       8.119063 
1 1 1 -12 -38 44 o 19.243  6.4411  45.384     35.385   65.029     69.343   38.468     41.145   23.940  8.9169  18.803  6.8929  5.136898       11.27048 
1 1 1 -12 -38 45 o 37.236  6.5296  182.063    56.843   63.312     108.612  226.860    66.709   26.442  10.766  41.510  6.8630  -15.06846      12.76756 
1 1 1 -12 -38 46 o 38.153  7.2036  194.306    64.242   286.079    111.899  149.187    78.461   44.512  10.526  32.588  9.4021  11.92377       14.11370 
1 1 1 -12 -38 47 o 60.878  5.7213  474.652    83.521   523.368    145.408  450.665    102.032  60.716  10.234  58.322  7.3749  2.394234       12.61439 
1 1 1 -12 -38 48 o 25.902  6.5732  90.001     41.381   102.811    72.032   83.691     50.557   27.524  9.1901  24.957  7.6361  2.566437       11.94860 
1 1 1 -12 -38 49 o 20.646  6.8321  54.322     39.841   17.725     70.122   71.768     48.415   19.854  8.4106  23.317  7.5204  -3.463272      11.28245 
1 1 1 -12 -38 50 o 14.048  6.0490  0.8986     37.346   87.068     62.653   -46.5930   46.513   25.463  8.5706  12.440  5.8750  13.02314       10.39087 
1 1 1 -12 -38 51 o 17.242  6.6281  29.216     39.019   9.5990     70.284   37.956     46.913   19.191  8.2810  19.064  7.2822  0.1270523      11.02748 
1 1 1 -12 -38 52 o 7.5477  3.7871  -85.7243   30.217   7.4304     51.915   -133.4539  37.161   16.758  7.1719  7.6234  3.8667  9.134182       8.147794 
1 1 1 -12 -38 53 o 52.566  5.0267  354.858    63.333   351.146    114.317  356.503    76.075   48.603  10.026  51.999  6.1486  -3.395279      11.76151 
1 1 1 -12 -38 54 o 16.827  6.9270  18.799     45.583   135.740    84.811   -28.7021   54.053   30.152  9.9677  14.549  6.6866  15.60364       12.00278 
1 1 1 -12 -38 55 o 29.201  7.2123  119.160    50.800   156.124    90.939   102.394    61.247   31.857  10.310  26.768  8.4402  5.089081       13.32434 
1 1 1 -12 -38 56 o 19.697  8.0144  33.992     60.133   7.1388     104.827  47.163     73.413   21.891  9.7543  21.853  8.8690  0.3756905E-01  13.18353 
1 1 1 -12 -38 57 o 20.644  8.1870  44.092     61.077   -16.5547   106.521  73.797     74.549   20.933  9.5319  24.092  9.1854  -3.158594      13.23742 
1 1 1 -12 -38 58 o 21.406  8.3316  51.562     62.239   87.233     108.785  34.204     75.886   26.544  10.787  21.073  8.8282  5.471085       13.93940 
1 1 1 -12 -38 59 o 47.986  5.7562  303.258    65.683   240.478    122.840  328.394    77.728   37.858  11.955  49.325  6.6653  -11.46724      13.68734 
1 1 1 -12 -38 60 o 27.657  7.7243  108.683    53.827   68.169     105.604  122.904    62.565   25.264  10.485  29.111  8.3949  -3.847700      13.43141 
1 1 1 -12 -38 61 o 32.717  10.293  166.732    91.141   226.698    229.640  155.521    99.296   35.035  15.041  31.492  10.789  3.543703       18.51051 
1 1 1 -12 -38 62 o 23.712  9.5595  63.803     84.680   99.372     225.913  57.988     91.340   30.462  13.875  23.683  9.7833  6.779575       16.97737 
1 1 1 -12 -38 63 o 25.684  10.435  83.375     101.737  0.0000     0.0000   83.375     101.737  ?       ?       25.684  10.435  0.000000       10.43456 
1 1 1 -12 -38 64 o 24.363  9.7205  76.378     86.582   273.139    237.994  46.365     92.951   34.983  15.166  22.682  9.6490  12.30116       17.97550 
1 1 1 -12 -37 1  o 25.017  6.7470  83.716     41.893   68.657     60.324   97.745     58.224   23.598  8.3858  26.854  8.1906  -3.255619      11.72210 
1 1 1 -12 -37 2  o 24.375  6.7063  79.037     40.908   97.592     56.569   58.697     59.229   26.889  8.0449  22.542  8.2691  4.346825       11.53685 
1 1 1 -12 -37 3  o 45.205  4.8494  258.194    52.361   238.376    75.912   276.180    72.317   42.194  7.6985  45.995  6.6749  -3.800827      10.18926 
1 1 1 -12 -37 4  o 10.220  4.9060  -48.7808   35.244   -76.7695   38.886   79.993     83.410   9.7056  4.7682  26.174  9.7736  -16.46791      10.87466 
1 1 1 -12 -37 5  o 49.653  5.7280  314.587    67.744   307.000    80.090   333.665    127.003  48.467  7.0142  48.203  11.089  0.2641068      13.12144 
1 1 1 -12 -37 6  o 77.216  4.2142  740.549    78.658   692.893    114.871  782.622    107.932  73.516  6.5069  78.646  5.6945  -5.129852      8.646839 
1 1 1 -12 -37 7  f 43.676  5.1615  241.472    53.641   195.060    73.584   294.106    78.362   38.026  8.2152  47.493  7.0108  -9.467163      10.79999 
1 1 1 -12 -37 8  o 127.797 4.3410  2023.37    134.610  1999.10    193.972  2045.91    186.956  125.374 6.3976  127.265 6.0543  -1.891678      8.808178 
1 1 1 -12 -37 9  o 47.264  5.1625  281.969    58.242   191.322    86.682   356.572    78.638   37.196  9.5541  52.762  6.2649  -15.56665      11.42499 
1 1 1 -12 -37 10 f 49.445  4.9778  307.354    58.909   314.192    87.186   301.609    79.908   48.920  7.5912  48.159  7.0467  0.7602959      10.35768 
1 1 1 -12 -37 11 o 13.793  6.1108  -10.9634   40.558   1.8590     60.384   -21.5034   54.746   17.892  7.6980  15.472  6.9597  2.420028       10.37768 
1 1 1 -12 -37 12 o 80.962  4.2078  811.885    82.376   818.602    120.836  806.054    112.594  80.320  6.2494  79.916  5.8471  0.4038620      8.558294 
1 1 1 -12 -37 13 o 39.521  5.7272  199.380    53.320   151.562    78.886   239.601    72.350   33.352  9.3638  42.830  7.2186  -9.477451      11.82326 
1 1 1 -12 -37 14 o 12.778  5.8576  -26.6443   41.111   -77.0724   62.117   12.662     54.841   13.840  6.6082  18.012  7.5221  -4.172884      10.01249 
1 1 1 -12 -37 15 o 26.404  8.9085  87.566     67.692   110.189    77.905   17.849     136.760  29.105  9.5500  26.669  11.529  2.435106       14.97093 
1 1 1 -12 -37 16 o 25.118  8.9209  74.569     68.259   97.610     77.549   -4.6901    143.829  27.872  9.5344  26.260  11.577  1.612068       14.99773 
1 1 1 -12 -37 17 o 91.436  10.407  1125.03    226.768  0.0000     0.0000   1125.03    226.768  ?       ?       91.436  10.407  0.000000       10.40655 
1 1 1 -12 -37 18 o 73.116  6.4758  677.692    113.697  569.632    139.896  887.946    195.139  65.685  9.0154  81.449  10.090  -15.76451      13.53091 
1 1 1 -12 -37 19 o 20.153  8.4513  15.172     69.654   2.1354     79.106   60.153     146.944  20.400  8.7939  29.651  12.342  -9.251501      15.15428 
1 1 1 -12 -37 20 o 109.269 6.1637  1500.71    162.753  1329.38    209.361  1762.40    258.737  101.166 8.6109  115.974 9.2722  -14.80758      12.65385 
1 1 1 -12 -37 21 o 71.255  8.6486  663.071    146.464  663.071    146.464  0.0000     0.0000   71.255  8.6486  ?       ?       0.000000       8.648568 
1 1 1 -12 -37 22 o 101.475 6.1755  1294.04    151.329  1294.04    151.329  0.0000     0.0000   101.475 6.1755  ?       ?       0.000000       6.175453 
1 1 1 -12 -37 23 o 43.474  8.4354  249.995    85.771   249.995    85.771   0.0000     0.0000   43.474  8.4354  ?       ?       0.000000       8.435415 
1 1 1 -12 -37 24 o 94.987  4.1362  1110.39    95.330   972.470    138.341  1235.10    131.549  87.745  6.5448  99.514  5.4690  -11.76885      8.529037 
1 1 1 -12 -37 25 o 89.158  4.0212  977.504    86.992   1056.71    131.568  915.977    115.957  91.802  5.9384  85.595  5.6144  6.206970       8.172237 
1 1 1 -12 -37 26 o 40.903  5.1828  210.626    50.284   237.704    85.620   196.368    62.127   42.292  8.6357  38.970  6.8187  3.321873       11.00315 
1 1 1 -12 -37 27 o 97.988  3.7226  1178.58    88.508   1360.89    143.968  1067.81    112.219  104.336 5.7084  92.709  5.0072  11.62736       7.593293 
1 1 1 -12 -37 28 o 68.945  3.7589  585.326    62.644   627.832    110.300  565.086    76.111   70.394  6.5320  67.466  4.6783  2.928535       8.034551 
1 1 1 -12 -37 29 o 100.860 3.7709  1249.38    92.284   1481.72    149.779  1107.20    117.164  108.861 5.6902  94.328  5.1384  14.53297       7.666924 
1 1 1 -12 -37 30 f 25.039  5.9246  81.413     35.433   189.731    80.220   55.159     39.494   37.559  8.9327  21.089  6.7913  16.47019       11.22121 
1 1 1 -12 -37 31 o 58.893  3.9318  428.413    55.862   566.882    104.632  373.208    66.066   66.809  6.5384  54.630  5.0409  12.17879       8.255939 
1 1 1 -12 -37 32 o 92.298  3.7665  1046.89    84.351   1087.62    139.353  1023.34    105.970  92.872  6.2199  90.762  4.8293  2.110954       7.874557 
1 1 1 -12 -37 33 o 29.958  6.2620  116.713    44.053   0.0000     0.0000   116.713    44.053   ?       ?       29.958  6.2620  0.000000       6.262009 
1 1 1 -12 -37 34 o 25.971  6.2888  88.140     39.207   0.0000     0.0000   88.140     39.207   ?       ?       25.971  6.2888  0.000000       6.288824 
1 1 1 -12 -37 35 o 19.525  6.4979  46.179     36.020   0.0000     0.0000   46.179     36.020   ?       ?       19.525  6.4979  0.000000       6.497917 
1 1 1 -12 -37 36 o 33.006  5.1762  138.665    40.091   182.524    87.238   126.922    45.140   36.457  9.6942  31.262  6.1699  5.195072       11.49112 
1 1 1 -12 -37 37 o 70.216  5.4780  619.767    92.592   563.378    146.505  657.270    119.479  64.658  9.6323  71.569  6.9685  -6.911766      11.88875 
1 1 1 -12 -37 38 o 16.968  6.8627  18.314     43.794   75.009     79.485   -6.3995    52.478   25.765  9.5567  16.155  7.0610  9.610420       11.88223 
1 1 1 -12 -37 39 o 36.191  6.9142  171.722    58.503   38.240     99.343   242.593    72.387   24.547  10.177  43.073  7.1788  -18.52601      12.45393 
1 1 1 -12 -37 40 o 35.202  7.1040  163.400    58.586   167.914    100.077  161.047    72.262   34.758  10.762  34.431  8.6583  0.3270912      13.81242 
1 1 1 -12 -37 41 o 116.974 3.9067  1687.76    110.882  1753.79    173.019  1641.75    144.443  117.738 6.0771  114.649 5.1923  3.088867       7.993202 
1 1 1 -12 -37 42 o 29.862  5.6473  115.358    39.420   77.629     73.135   130.808    46.800   25.529  9.2153  31.636  6.3180  -6.107658      11.17311 
1 1 1 -12 -37 43 o 82.387  3.8195  837.246    76.353   846.615    125.881  831.793    96.036   81.415  6.4244  81.565  4.8748  -0.1492157     8.064566 
1 1 1 -12 -37 44 o 56.504  4.0916  396.933    55.717   381.015    96.830   404.812    68.125   53.801  7.6314  56.732  5.0001  -2.931450      9.123520 
1 1 1 -12 -37 45 o 11.025  5.1287  -28.1005   33.241   -28.3391   57.516   -27.9809   40.733   15.425  7.0162  12.563  5.7853  2.861919       9.093802 
1 1 1 -12 -37 46 o 43.625  6.9349  249.845    70.951   113.727    121.042  321.096    87.573   30.520  11.688  49.234  7.5732  -18.71476      13.92704 
1 1 1 -12 -37 47 o 36.688  7.7375  181.749    66.711   100.659    115.321  222.533    81.784   29.268  11.355  40.251  8.6329  -10.98238      14.26409 
1 1 1 -12 -37 48 o 34.843  7.6661  164.623    63.053   151.577    114.019  170.370    75.677   32.806  11.543  34.935  8.9021  -2.129086      14.57672 
1 1 1 -12 -37 49 o 26.557  6.5919  94.445     42.279   201.827    74.264   42.953     51.426   38.306  8.2349  20.194  7.6458  18.11281       11.23703 
1 1 1 -12 -37 50 o 50.463  4.5101  321.106    54.643   351.086    92.083   304.811    67.887   51.077  7.6667  48.523  5.8865  2.554230       9.665831 
1 1 1 -12 -37 51 o 12.520  5.6172  -12.8688   35.406   63.062     62.745   -48.3422   42.886   22.993  8.4983  11.701  5.5597  11.29228       10.15535 
1 1 1 -12 -37 52 o 14.391  5.9893  9.2598     34.598   83.873     66.653   -18.2593   40.479   25.207  8.8279  13.053  5.9175  12.15409       10.62772 
1 1 1 -12 -37 53 o 35.769  5.6533  167.634    47.435   3.1652     87.022   237.158    56.579   20.500  9.0229  42.693  5.5966  -22.19288      10.61763 
1 1 1 -12 -37 54 o 47.232  5.4821  289.598    61.658   116.992    112.599  363.522    73.688   29.153  11.245  52.744  5.8568  -23.59015      12.67911 
1 1 1 -12 -37 55 o 13.707  6.1084  -9.9559    41.120   -75.9822   79.962   13.781     47.945   15.937  7.5783  16.698  7.0074  -0.7605724     10.32156 
1 1 1 -12 -37 56 o 22.346  7.4885  66.605     47.829   103.564    92.083   52.949     55.972   27.363  10.259  21.208  7.9891  6.154984       13.00284 
1 1 1 -12 -37 57 o 23.838  8.5838  75.099     63.405   145.202    109.653  39.885     77.715   30.801  11.258  21.715  9.0017  9.085732       14.41465 
1 1 1 -12 -37 58 o 21.550  8.3510  52.305     62.320   -74.8847   108.960  114.141    75.973   19.016  8.9841  28.008  9.4377  -8.992096      13.03012 
1 1 1 -12 -37 59 o 46.855  5.7297  288.371    63.784   314.728    121.592  278.365    74.919   44.466  11.259  45.168  7.0676  -0.7028542     13.29306 
1 1 1 -12 -37 60 o 49.228  5.5824  316.588    65.501   334.613    122.068  309.299    77.622   46.193  11.041  47.797  6.8921  -1.604450      13.01557 
1 1 1 -12 -37 61 o 45.594  6.0137  275.218    64.906   188.252    124.904  307.389    75.968   33.930  12.066  47.729  6.7479  -13.79822      13.82444 
1 1 1 -12 -37 62 o 31.584  10.447  154.297    93.153   632.447    237.402  67.281     101.275  55.318  16.465  24.999  10.312  30.31847       19.42756 
1 1 1 -12 -37 63 o 58.233  8.1833  480.163    112.437  562.539    247.504  458.742    126.211  49.484  17.029  55.318  9.7599  -5.834076      19.62772 
1 1 1 -12 -37 64 o 48.199  9.4275  349.793    106.306  318.850    261.449  355.922    116.359  37.015  15.972  47.654  10.359  -10.63934      19.03669 
1 1 1 -12 -36 1  o 57.190  5.8824  417.867    80.464   517.585    231.146  404.117    85.832   55.381  16.184  55.958  6.4389  -0.5772820     17.41785 
1 1 1 -12 -36 2  o 14.148  5.9641  4.8969     34.983   -55.3296   46.695   81.949     52.817   12.146  5.7803  25.012  7.8303  -12.86581      9.732677 
1 1 1 -12 -36 3  o 57.130  5.0121  410.357    68.776   450.279    89.179   351.764    108.039  59.284  6.2959  50.895  9.0818  8.389137       11.05070 
1 1 1 -12 -36 4  o 45.068  5.1803  256.848    55.617   198.086    82.421   305.976    75.362   38.005  9.0649  48.689  6.5448  -10.68417      11.18062 
1 1 1 -12 -36 5  o 43.802  4.9318  241.715    51.505   226.817    73.772   255.882    71.939   41.396  7.6256  44.337  6.9124  -2.940933      10.29225 
1 1 1 -12 -36 6  o 96.633  4.1075  1153.36    96.309   1192.11    141.217  1119.67    131.685  97.092  6.0240  94.234  5.7873  2.858757       8.353534 
1 1 1 -12 -36 7  o 86.563  4.0514  924.731    85.095   904.764    124.769  942.096    116.356  84.514  6.1260  86.562  5.5694  -2.048019      8.279245 
1 1 1 -12 -36 8  o 85.151  4.0130  894.186    82.913   874.596    122.376  910.809    112.729  83.130  6.1098  85.181  5.4833  -2.051468      8.209550 
1 1 1 -12 -36 9  o 26.404  6.3547  91.331     40.221   95.996     57.662   86.910     56.132   27.015  8.1312  25.873  8.0678  1.142941       11.45457 
1 1 1 -12 -36 10 o 26.957  6.2014  94.877     39.719   95.737     55.517   93.975     56.848   26.974  7.9455  26.777  8.0768  0.1975708      11.32982 
1 1 1 -12 -36 11 o 109.554 4.1171  1479.37    109.441  1468.77    157.543  1489.25    152.143  108.039 6.0338  108.955 5.7755  -0.9159698     8.352498 
1 1 1 -12 -36 12 o 43.997  5.1989  243.705    54.427   207.226    80.917   273.845    73.553   39.309  8.7125  46.126  6.7736  -6.817009      11.03582 
1 1 1 -12 -36 13 o 65.819  4.3787  536.743    69.531   542.417    101.807  531.781    95.190   65.364  6.5055  64.880  6.1189  0.4846573      8.931030 
1 1 1 -12 -36 14 o 104.083 4.1319  1333.57    104.349  1335.12    150.692  1332.15    144.638  103.135 6.0482  103.157 5.8022  -0.2160645E-01 8.381255 
1 1 1 -12 -36 15 o 56.349  4.7001  394.873    63.676   392.567    91.274   397.060    88.876   55.403  6.9421  55.821  6.6954  -0.4185295     9.644749 
1 1 1 -12 -36 16 o 139.018 5.1613  2395.30    174.099  2414.83    324.855  2387.43    206.214  135.468 9.9527  138.177 6.1506  -2.709183      11.69984 
1 1 1 -12 -36 17 o 102.063 5.0861  1289.62    125.955  1137.25    148.301  1684.06    238.609  95.062  6.4679  114.200 8.6760  -19.13739      10.82154 
1 1 1 -12 -36 18 o 63.438  6.7001  510.108    101.571  529.472    123.216  469.051    179.422  64.027  8.1133  57.540  13.140  6.486652       15.44270 
1 1 1 -12 -36 19 o 120.837 6.1760  1826.87    180.476  1802.82    235.896  1860.82    280.264  118.647 8.2453  119.305 9.7672  -0.6579132     12.78212 
1 1 1 -12 -36 20 o 77.831  8.3404  780.205    155.055  780.205    155.055  0.0000     0.0000   77.831  8.3404  ?       ?       0.000000       8.340396 
1 1 1 -12 -36 21 f 64.753  8.6033  543.949    131.828  543.949    131.828  0.0000     0.0000   64.753  8.6033  ?       ?       0.000000       8.603339 
1 1 1 -12 -36 22 o 33.573  11.049  146.497    104.257  146.497    104.257  0.0000     0.0000   33.573  11.049  ?       ?       0.000000       11.04928 
1 1 1 -12 -36 23 o 17.390  7.7416  -20.2265   65.869   -4.3994    84.418   -44.8597   105.316  20.769  9.0182  21.126  9.5640  -0.3578262     13.14529 
1 1 1 -12 -36 24 o 36.530  5.4640  168.753    46.943   207.004    80.618   149.129    57.742   39.565  8.6398  33.827  7.2528  5.737404       11.28042 
1 1 1 -12 -36 25 o 9.0727  4.4063  -51.9707   30.537   -41.7765   67.489   -54.5951   34.243   16.416  7.5176  9.7769  4.7283  6.638767       8.880959 
1 1 1 -12 -36 26 o 38.288  4.6446  183.145    42.267   348.446    85.550   129.766    48.614   52.290  6.9122  31.674  6.5422  20.61604       9.517265 
1 1 1 -12 -36 27 o 61.375  3.7991  463.532    56.299   559.231    102.164  421.798    67.467   66.625  6.3984  58.283  4.8138  8.341564       8.007000 
1 1 1 -12 -36 28 o 74.224  3.7029  675.161    66.688   722.718    115.600  651.440    81.644   75.820  6.3419  72.553  4.6624  3.266998       7.871283 
1 1 1 -12 -36 29 o 116.252 3.8480  1657.86    108.544  1732.47    169.913  1606.43    141.084  117.794 5.9643  113.960 5.1023  3.834633       7.848903 
1 1 1 -12 -36 30 o 66.455  3.8033  543.429    61.072   626.867    108.211  504.430    73.981   70.523  6.3933  63.744  4.8188  6.779079       8.005914 
1 1 1 -12 -36 31 f 86.204  3.7281  911.376    77.980   1080.02    132.172  821.330    96.581   92.923  5.8926  81.372  4.9147  11.55077       7.673088 
1 1 1 -12 -36 32 o 122.544 5.1832  1861.21    154.118  0.0000     0.0000   1861.21    154.118  ?       ?       122.544 5.1832  0.000000       5.183204 
1 1 1 -12 -36 33 o 55.550  4.7436  383.925    63.325   0.0000     0.0000   383.925    63.325   ?       ?       55.550  4.7436  0.000000       4.743645 
1 1 1 -12 -36 34 o 99.848  4.8319  1233.51    117.065  0.0000     0.0000   1233.51    117.065  ?       ?       99.848  4.8319  0.000000       4.831945 
1 1 1 -12 -36 35 o 57.396  4.3057  408.302    59.527   424.844    149.947  405.207    64.857   55.251  11.556  57.053  4.7276  -1.802052      12.48605 
1 1 1 -12 -36 36 o 39.567  4.7326  196.334    44.534   171.920    104.146  201.798    49.265   35.474  10.978  39.990  5.2002  -4.516434      12.14699 
1 1 1 -12 -36 37 o 102.961 3.7638  1303.02    94.031   1310.46    145.980  1297.74    122.930  102.132 5.9160  102.268 4.9540  -0.1360168     7.716289 
1 1 1 -12 -36 38 o 28.466  7.4251  107.212    51.821   67.308     89.190   127.548    63.671   25.902  10.004  30.880  8.3133  -4.977676      13.00706 
1 1 1 -12 -36 39 o 28.455  7.5332  107.351    52.828   154.272    90.916   83.432     64.911   33.635  10.230  25.822  8.7235  7.812494       13.44409 
1 1 1 -12 -36 40 o 81.526  5.4854  834.031    107.879  807.194    169.345  852.360    139.950  77.988  9.1215  81.494  7.1498  -3.506134      11.58973 
1 1 1 -12 -36 41 o 77.527  5.5049  755.183    102.881  830.609    163.165  705.406    132.550  79.434  8.6030  73.843  7.5020  5.591003       11.41457 
1 1 1 -12 -36 42 o 88.136  3.7399  956.144    79.980   1048.06    128.957  898.686    101.959  91.160  5.8612  84.846  4.9743  6.313866       7.687491 
1 1 1 -12 -36 43 o 43.831  4.4443  240.238    46.612   247.848    79.063   236.184    57.708   43.265  7.8190  43.064  5.6598  0.2012100      9.652495 
1 1 1 -12 -36 44 o 42.487  4.8075  227.156    48.689   124.417    79.747   288.212    61.477   30.414  9.6354  47.709  5.4061  -17.29540      11.04837 
1 1 1 -12 -36 45 o 57.968  4.1167  417.431    57.527   472.082    95.089   385.881    72.248   60.618  6.5702  55.233  5.4626  5.384838       8.544388 
1 1 1 -12 -36 46 o 25.106  8.0013  82.003     54.929   5.3861     93.375   122.547    67.925   21.894  9.4958  30.043  8.7714  -8.149118      12.92700 
1 1 1 -12 -36 47 o 66.403  5.5927  558.869    89.271   712.688    154.827  482.265    109.262  72.769  8.9578  60.571  7.6017  12.19803       11.74855 
1 1 1 -12 -36 48 o 24.454  8.2832  76.079     58.525   237.701    101.887  -3.5099    71.498   40.828  10.289  18.836  8.2371  21.99223       13.17979 
1 1 1 -12 -36 49 f 57.917  4.2674  419.140    59.547   428.059    100.174  414.266    74.051   56.927  7.4293  57.081  5.4112  -0.1539192     9.191066 
1 1 1 -12 -36 50 o 35.586  5.5824  163.840    46.616   77.811     82.453   204.257    56.515   25.709  9.6940  39.606  6.0747  -13.89715      11.44007 
1 1 1 -12 -36 51 o 34.946  5.3828  157.800    44.177   144.902    79.750   163.510    53.062   31.926  9.5520  35.144  6.4606  -3.217312      11.53175 
1 1 1 -12 -36 52 o 36.366  5.4284  171.210    46.432   267.715    84.328   129.223    55.623   44.132  8.1761  30.692  7.5266  13.44061       11.11301 
1 1 1 -12 -36 53 o 46.958  4.6773  279.972    52.583   289.353    92.581   275.505    63.889   45.440  8.7139  46.015  5.8548  -0.5750847     10.49814 
1 1 1 -12 -36 54 o 20.200  7.4436  47.284     48.071   14.263     80.375   65.673     59.981   20.532  8.8575  22.978  8.3377  -2.446127      12.16441 
1 1 1 -12 -36 55 o 12.762  5.8948  -28.2745   42.753   0.4689     86.626   -37.5302   49.157   20.263  8.9563  13.330  6.2129  6.933098       10.90026 
1 1 1 -12 -36 56 o 21.073  7.5059  55.462     48.356   221.330    96.193   -0.6270    55.937   38.209  10.189  16.652  7.2838  21.55755       12.52459 
1 1 1 -12 -36 57 o 32.670  9.0628  156.617    74.362   170.055    141.473  151.486    87.412   32.844  12.622  31.704  10.092  1.140772       16.16095 
1 1 1 -12 -36 58 o 27.963  9.3519  112.642    74.592   77.587     139.863  126.576    88.180   27.633  11.798  29.331  10.160  -1.697790      15.56977 
1 1 1 -12 -36 59 f 32.776  7.6111  150.602    59.368   125.896    144.930  155.583    65.079   30.290  12.397  33.021  8.1677  -2.730843      14.84539 
1 1 1 -12 -36 60 o 27.056  8.1068  103.448    57.412   18.156     122.521  127.445    64.988   23.924  10.609  29.745  8.5497  -5.820967      13.62531 
1 1 1 -12 -36 61 o 40.720  6.5245  222.579    62.287   158.644    130.288  241.521    70.916   32.065  12.163  42.022  7.2150  -9.956726      14.14176 
1 1 1 -12 -36 62 o 55.988  8.4077  441.698    110.689  156.624    241.303  517.669    124.568  33.376  14.840  60.317  8.7682  -26.94156      17.23696 
1 1 1 -12 -36 63 o 29.689  10.414  132.652    92.776   209.845    241.093  119.235    100.516  34.756  15.164  28.653  10.723  6.102695       18.57252 
1 1 1 -12 -36 64 o 48.255  10.065  355.829    114.032  572.603    284.889  314.473    124.435  47.005  17.948  43.688  11.559  3.316433       21.34812 
1 1 1 -12 -35 1  o 56.978  7.1065  421.333    96.113   332.578    214.094  443.735    107.561  45.699  15.832  58.105  7.8284  -12.40594      17.66154 
1 1 1 -12 -35 2  o 32.727  9.0222  146.071    73.954   237.249    176.252  126.588    81.473   40.287  14.332  30.673  9.7413  9.614328       17.32926 
1 1 1 -12 -35 3  o 47.755  7.6065  299.282    85.183   273.955    177.671  306.842    97.067   42.756  14.433  47.851  8.6798  -5.094913      16.84151 
1 1 1 -12 -35 4  o 51.242  7.1782  340.713    86.800   414.732    180.598  318.478    98.983   52.475  13.946  48.813  8.6750  3.661926       16.42360 
1 1 1 -12 -35 5  o 68.492  5.7874  591.960    95.281   0.0000     0.0000   591.960    95.281   ?       ?       68.492  5.7874  0.000000       5.787429 
1 1 1 -12 -35 6  o 45.861  6.0236  268.181    65.409   359.605    164.803  251.088    71.261   49.343  13.413  44.029  6.8969  5.313850       15.08242 
1 1 1 -12 -35 7  o 49.064  4.5200  300.059    53.205   257.836    78.261   336.345    72.550   44.403  7.5331  51.504  5.9125  -7.100845      9.576266 
1 1 1 -12 -35 8  o 40.101  4.8958  202.112    46.648   175.018    67.657   226.663    64.403   36.329  7.9005  41.972  6.5366  -5.643684      10.25398 
1 1 1 -12 -35 9  o 89.440  3.9903  984.158    86.597   1023.21    126.448  949.663    118.839  90.334  5.7996  87.084  5.6547  3.249680       8.100073 
1 1 1 -12 -35 10 o 85.047  3.9676  889.282    81.875   929.592    119.783  853.933    112.169  86.148  5.7636  82.613  5.6293  3.534760       8.056602 
1 1 1 -12 -35 11 o 45.246  4.5930  255.111    49.726   147.663    72.670   349.716    68.189   33.242  8.8519  52.808  5.3976  -19.56640      10.36775 
1 1 1 -12 -35 12 o 61.373  4.1266  465.102    61.094   359.985    88.724   559.885    84.250   53.027  7.0720  67.027  5.2215  -13.99991      8.790784 
1 1 1 -12 -35 13 o 40.918  4.9394  209.698    48.048   204.363    70.110   214.423    65.978   39.601  7.5725  40.804  6.9107  -1.202702      10.25183 
1 1 1 -12 -35 14 o 117.412 4.1436  1693.52    118.047  1614.02    167.691  1771.61    166.205  113.650 6.1033  119.411 5.7364  -5.760094      8.375952 
1 1 1 -12 -35 15 o 64.696  4.4239  517.126    69.029   644.367    100.124  401.853    95.299   71.812  5.7955  56.140  7.1589  15.67163       9.210773 
1 1 1 -12 -35 16 o 16.141  6.7207  8.7554     43.594   34.427     61.238   -17.6214   62.074   20.877  8.2236  17.012  7.5474  3.864622       11.16200 
1 1 1 -12 -35 17 o 80.081  4.1901  789.204    81.134   796.401    115.885  782.283    113.629  79.849  6.0256  79.159  5.9597  0.6901855      8.475021 
1 1 1 -12 -35 18 o 18.217  7.0815  27.212     44.920   -66.9677   65.827   109.288    61.452   14.974  7.0466  28.988  8.3085  -14.01345      10.89428 
1 1 1 -12 -35 19 o 143.177 6.3689  2551.27    221.260  2551.27    221.260  0.0000     0.0000   143.177 6.3689  ?       ?       0.000000       6.368903 
1 1 1 -12 -35 20 o 66.586  8.7032  571.366    137.249  571.366    137.249  0.0000     0.0000   66.586  8.7032  ?       ?       0.000000       8.703187 
1 1 1 -12 -35 21 o 56.056  9.5893  412.094    125.740  412.094    125.740  0.0000     0.0000   56.056  9.5893  ?       ?       0.000000       9.589276 
1 1 1 -12 -35 22 o 99.261  5.9414  1225.17    142.439  1101.81    189.668  1384.75    215.714  92.930  8.5059  104.196 8.6094  -11.26593      12.10257 
1 1 1 -12 -35 23 o 50.475  7.1683  324.414    85.326   327.692    122.276  321.302    119.123  49.526  10.501  49.095  10.327  0.4309654      14.72824 
1 1 1 -12 -35 24 o 40.417  8.0128  212.392    75.804   224.126    109.222  201.488    105.292  40.812  10.845  38.773  10.794  2.038609       15.30103 
1 1 1 -12 -35 25 o 93.633  3.6846  1072.45    83.711   1187.75    136.023  1002.17    106.206  97.802  5.7573  90.110  4.8757  7.691772       7.544457 
1 1 1 -12 -35 26 o 54.673  3.8806  367.790    51.145   383.515    94.734   361.321    60.761   54.902  7.2918  54.015  4.6824  0.8861961      8.665761 
1 1 1 -12 -35 27 o 69.574  3.7200  593.972    62.571   659.226    107.520  560.556    76.942   72.618  6.1603  67.345  4.7389  5.273140       7.772102 
1 1 1 -12 -35 28 o 139.905 4.0851  2399.79    138.676  2532.60    212.570  2301.38    182.977  142.788 6.1355  136.414 5.5281  6.374191       8.258522 
1 1 1 -12 -35 29 o 20.116  5.9968  50.926     31.474   -59.7455   77.633   72.695     34.431   17.044  7.8974  23.750  5.9788  -6.706423      9.905283 
1 1 1 -12 -35 30 f 83.156  3.6984  846.537    74.622   882.532    126.795  827.464    92.300   83.987  6.2670  81.870  4.6657  2.117691       7.813092 
1 1 1 -12 -35 31 o 21.797  6.5926  59.931     37.837   0.0000     0.0000   59.931     37.837   ?       ?       21.797  6.5926  0.000000       6.592626 
1 1 1 -12 -35 32 o 56.213  4.7118  391.926    63.673   0.0000     0.0000   391.926    63.673   ?       ?       56.213  4.7118  0.000000       4.711792 
1 1 1 -12 -35 33 o 104.503 4.8412  1347.46    122.756  0.0000     0.0000   1347.46    122.756  ?       ?       104.503 4.8412  0.000000       4.841184 
1 1 1 -12 -35 34 o 32.654  5.3163  135.283    40.673   174.854    87.475   124.368    45.942   36.065  9.7589  31.031  6.3164  5.033676       11.62470 
1 1 1 -12 -35 35 o 58.382  3.7515  419.710    52.862   426.218    86.600   415.845    66.738   58.094  6.2414  57.842  4.7986  0.2524490      7.872844 
1 1 1 -12 -35 36 o 44.964  4.0366  250.424    43.570   290.047    74.559   229.876    53.692   47.651  6.6280  42.746  5.2896  4.904881       8.479957 
1 1 1 -12 -35 37 o 79.089  3.6309  767.256    69.678   810.966    112.203  739.820    88.896   80.447  5.7869  77.219  4.7679  3.228035       7.498011 
1 1 1 -12 -35 38 o 88.315  3.6827  957.387    78.916   923.446    125.904  979.351    101.281  85.678  6.0961  88.876  4.7134  -3.198067      7.705718 
1 1 1 -12 -35 39 o 38.263  6.6891  189.462    59.842   145.208    100.349  213.885    74.547   33.046  10.838  40.267  7.9122  -7.220448      13.41920 
1 1 1 -12 -35 40 o 41.972  6.4496  226.429    63.581   361.917    106.585  151.582    79.219   52.254  8.7132  33.468  9.3791  18.78664       12.80187 
1 1 1 -12 -35 41 o 52.173  6.0159  345.616    74.762   281.556    120.395  385.823    95.381   44.794  11.127  54.574  7.3933  -9.779510      13.35926 
1 1 1 -12 -35 42 o 64.156  4.2083  510.033    65.147   485.630    139.221  516.875    73.716   59.880  9.9299  64.403  4.7508  -4.522404      11.00785 
1 1 1 -12 -35 43 o 45.773  4.5044  261.655    49.380   246.366    81.403   270.556    62.114   43.101  8.0807  46.182  5.6617  -3.080738      9.866713 
1 1 1 -12 -35 44 o 50.667  4.3033  319.472    52.405   299.147    86.187   331.393    66.008   47.739  7.7026  51.255  5.3883  -3.515274      9.400230 
1 1 1 -12 -35 45 o 12.031  5.4550  -18.0832   34.418   -72.3182   59.176   9.6427     42.311   13.551  6.4647  15.891  6.6191  -2.339780      9.252325 
1 1 1 -12 -35 46 o 62.453  4.6055  486.534    69.298   394.331    148.299  512.291    78.382   52.292  11.949  63.900  5.0978  -11.60801      12.99118 
1 1 1 -12 -35 47 o 81.767  5.6668  844.146    111.736  707.330    186.195  921.145    139.683  70.997  11.178  84.678  6.8573  -13.68072      13.11377 
1 1 1 -12 -35 48 o 19.048  7.6227  27.664     53.411   79.360     98.786   6.3096     63.492   27.132  10.514  18.553  7.9355  8.578968       13.17272 
1 1 1 -12 -35 49 f 49.702  6.1601  317.961    72.698   392.967    135.595  287.703    86.122   52.377  11.019  46.396  7.9353  5.980919       13.57853 
1 1 1 -12 -35 50 o 43.674  4.6793  240.611    48.815   268.819    87.308   227.783    58.877   44.470  8.3993  41.998  5.9436  2.471474       10.28951 
1 1 1 -12 -35 51 o 11.908  5.4388  -20.4519   35.015   -39.1043   72.770   -14.8322   39.943   16.935  7.7741  13.288  5.9637  3.646592       9.798061 
1 1 1 -12 -35 52 o 18.728  6.7059  40.443     38.645   -5.5884    80.645   54.163     44.030   19.627  8.6599  20.917  7.1834  -1.290436      11.25146 
1 1 1 -12 -35 53 o 33.775  5.9616  149.827    47.071   232.162    92.217   120.816    54.739   40.214  9.5862  29.675  7.5761  10.53924       12.21857 
1 1 1 -12 -35 54 o 33.039  6.0079  144.090    46.389   144.460    93.433   143.969    53.441   31.533  10.464  32.613  6.9652  -1.079725      12.57012 
1 1 1 -12 -35 55 o 41.669  6.0546  228.106    59.423   197.527    117.355  238.649    68.911   35.627  11.723  42.131  6.9856  -6.504612      13.64629 
1 1 1 -12 -35 56 o 24.829  7.8912  84.304     53.457   171.121    111.309  58.277     60.946   33.367  11.423  22.235  8.3443  11.13146       14.14587 
1 1 1 -12 -35 57 o 22.835  7.7675  68.724     51.467   36.847     109.460  77.772     58.316   24.084  10.363  24.114  8.2679  -0.3049850E-01 13.25724 
1 1 1 -12 -35 58 o 26.156  9.2150  93.764     72.692   -3.6457    135.360  133.243    86.173   23.971  10.848  30.078  10.052  -6.107080      14.78914 
1 1 1 -12 -35 59 o 13.660  6.5286  -69.2406   60.931   169.492    122.694  -147.3919  70.200   32.946  11.929  12.439  6.1656  20.50684       13.42849 
1 1 1 -12 -35 60 o 23.363  7.9812  72.481     54.340   9.2729     117.927  89.520     61.228   23.293  10.365  25.482  8.4714  -2.188566      13.38653 
1 1 1 -12 -35 61 o 11.481  5.5320  -63.0528   45.838   -34.6805   108.615  -69.2011   50.561   20.658  9.4886  12.032  5.8006  8.626190       11.12121 
1 1 1 -12 -35 62 o 30.219  10.338  135.126    91.176   47.224     234.014  150.857    98.999   30.314  13.925  31.572  10.773  -1.258190      17.60570 
1 1 1 -12 -35 63 o 33.424  10.902  174.184    101.584  562.013    244.003  92.870     111.727  51.531  16.901  27.313  10.991  24.21759       20.16061 
1 1 1 -12 -35 64 o 44.004  10.098  294.953    105.529  89.616     282.192  328.336    113.784  31.896  14.873  46.221  10.397  -14.32467      18.14681 
1 1 1 -12 -34 1  o 35.605  8.5584  171.129    73.024   160.045    162.176  173.948    81.783   35.585  13.552  35.669  9.3394  -0.8411026E-01 16.45888 
1 1 1 -12 -34 2  f 16.452  7.2319  -9.5618    55.747   -134.8414  145.989  11.824     60.318   21.811  10.333  18.674  7.8494  3.136763       12.97597 
1 1 1 -12 -34 3  o 27.204  8.7090  95.834     65.021   66.917     156.506  101.866    71.481   30.413  12.705  28.056  9.1450  2.357027       15.65362 
1 1 1 -12 -34 4  f 53.868  6.9590  373.118    88.830   326.385    176.983  388.855    102.704  46.800  14.281  54.536  7.9992  -7.735268      16.36891 
1 1 1 -12 -34 5  o 56.221  6.6816  403.763    89.361   353.748    178.447  420.503    103.239  48.821  14.207  56.954  7.6652  -8.133465      16.14251 
1 1 1 -12 -34 6  o 103.651 5.9466  1347.47    148.931  1490.12    258.970  1276.97    182.048  105.769 10.218  99.893  7.5670  5.875854       12.71492 
1 1 1 -12 -34 7  o 15.517  6.8966  -15.5961   52.061   88.682     137.620  -33.0112   56.240   30.739  12.258  15.100  6.8954  15.63881       14.06431 
1 1 1 -12 -34 8  o 52.616  6.9541  354.089    86.606   307.205    169.252  370.720    100.803  46.168  13.939  53.423  8.0244  -7.255001      16.08343 
1 1 1 -12 -34 9  o 20.315  8.0307  32.098     58.594   16.898     132.352  35.803     65.347   26.624  11.424  21.394  8.4733  5.230021       14.22362 
1 1 1 -12 -34 10 o 57.497  5.1616  411.949    71.243   567.290    163.562  375.576    79.146   65.054  10.737  54.600  6.0773  10.45428       12.33729 
1 1 1 -12 -34 11 o 11.107  5.0948  -21.6975   31.177   -68.7464   43.180   29.541     45.062   10.962  5.3034  18.467  7.1165  -7.504824      8.875331 
1 1 1 -12 -34 12 o 101.596 3.9489  1265.28    97.345   1239.55    141.517  1288.38    134.115  99.777  5.8713  101.912 5.4433  -2.134567      8.006333 
1 1 1 -12 -34 13 o 69.602  4.0127  595.698    67.481   638.309    98.633   558.202    92.524   71.573  5.7274  66.894  5.7564  4.678978       8.120327 
1 1 1 -12 -34 14 o 21.474  6.7880  56.952     39.596   87.379     56.519   27.623     55.489   26.249  8.0810  19.623  7.7967  6.626335       11.22899 
1 1 1 -12 -34 15 o 27.612  6.2673  98.266     41.029   136.103    57.562   59.190     58.497   32.347  7.4828  23.130  8.2538  9.217026       11.14078 
1 1 1 -12 -34 16 o 111.923 4.0175  1533.77    109.103  1455.01    157.476  1606.47    151.299  108.240 6.0198  114.102 5.4649  -5.861717      8.130330 
1 1 1 -12 -34 17 o 74.168  4.2546  676.227    76.247   607.610    108.229  743.841    107.435  69.684  6.4749  77.390  5.7626  -7.705330      8.667923 
1 1 1 -12 -34 18 o 76.219  6.1202  723.366    112.230  723.366    112.230  0.0000     0.0000   76.219  6.1202  ?       ?       0.000000       6.120153 
1 1 1 -12 -34 19 o 96.849  5.9972  1163.74    140.238  1163.74    140.238  0.0000     0.0000   96.849  5.9972  ?       ?       0.000000       5.997215 
1 1 1 -12 -34 20 o 50.926  7.5924  330.432    90.949   330.432    90.949   0.0000     0.0000   50.926  7.5924  ?       ?       0.000000       7.592400 
1 1 1 -12 -34 21 o 46.441  7.8205  276.507    84.994   290.436    109.952  255.825    133.975  46.950  9.9604  43.585  12.191  3.364857       15.74265 
1 1 1 -12 -34 22 o 101.226 5.7751  1268.13    141.257  1315.77    194.703  1215.19    205.250  102.248 7.9094  97.855  8.7363  4.393715       11.78481 
1 1 1 -12 -34 23 o 35.367  8.6253  163.478    73.354   60.799     107.764  252.132    100.133  27.520  10.887  43.772  9.6846  -16.25197      14.57118 
1 1 1 -12 -34 24 o 108.413 5.1060  1444.85    134.316  1473.28    210.832  1425.44    174.255  108.138 8.0939  106.964 6.7486  1.173729       10.53824 
1 1 1 -12 -34 25 o 53.855  5.2926  360.194    68.267   360.131    124.041  360.220    81.763   52.349  10.132  53.570  6.4181  -1.220612      11.99345 
1 1 1 -12 -34 26 o 53.732  4.2203  355.621    54.580   477.723    126.069  327.455    60.549   61.001  8.7695  51.406  4.9142  9.594978       10.05251 
1 1 1 -12 -34 27 o 91.420  3.6718  1021.16    81.448   1038.37    132.603  1010.74    103.212  91.462  6.0085  90.629  4.7098  0.8337021      7.634429 
1 1 1 -12 -34 28 o 75.323  3.7217  693.450    68.019   780.736    116.555  648.372    83.761   79.206  6.1119  72.506  4.7880  6.700165       7.764046 
1 1 1 -12 -34 29 o 72.437  3.7198  643.091    65.159   630.210    113.860  649.363    79.456   70.909  6.6970  72.613  4.5323  -1.704369      8.086552 
1 1 1 -12 -34 30 o 113.047 4.9613  1572.11    136.088  0.0000     0.0000   1572.11    136.088  ?       ?       113.047 4.9613  0.000000       4.961345 
1 1 1 -12 -34 31 o 20.587  6.4679  52.274     36.000   0.0000     0.0000   52.274     36.000   ?       ?       20.587  6.4679  0.000000       6.467893 
1 1 1 -12 -34 32 o 19.172  6.5602  42.341     36.714   0.0000     0.0000   42.341     36.714   ?       ?       19.172  6.5602  0.000000       6.560238 
1 1 1 -12 -34 33 o 65.035  3.8412  519.682    60.346   682.867    107.965  445.537    72.775   73.933  6.0720  59.914  5.0531  14.01868       7.899571 
1 1 1 -12 -34 34 o 96.448  3.6474  1138.47    85.357   1202.70    132.901  1093.38    111.362  98.406  5.5890  94.069  4.8958  4.336868       7.430106 
1 1 1 -12 -34 35 o 13.284  5.4756  7.0617     28.528   -23.2187   50.783   21.024     34.483   14.845  6.6881  16.026  6.2116  -1.180614      9.127658 
1 1 1 -12 -34 36 o 56.909  3.7122  398.448    50.979   433.353    84.060   378.140    64.116   58.734  5.9819  55.165  4.8389  3.569008       7.694037 
1 1 1 -12 -34 37 o 31.073  4.9274  122.040    35.911   170.743    63.173   98.787     43.650   36.165  7.4472  27.554  6.6130  8.610462       9.959496 
1 1 1 -12 -34 38 o 55.738  3.8064  382.910    51.172   305.877    84.867   426.917    64.144   48.689  7.4180  58.680  4.5404  -9.990696      8.697291 
1 1 1 -12 -34 39 o 16.484  5.9535  28.766     30.531   17.497     57.013   33.297     36.151   18.797  7.7435  17.789  6.4702  1.008135       10.09086 
1 1 1 -12 -34 40 o 98.818  5.5366  1219.11    132.219  1210.19    202.740  1225.72    174.413  96.454  8.7582  98.021  7.3875  -1.567032      11.45781 
1 1 1 -12 -34 41 o 48.592  6.0320  299.685    69.590   362.207    114.855  263.420    87.474   51.991  9.4527  44.620  8.3874  7.371155       12.63737 
1 1 1 -12 -34 42 o 35.398  7.0421  163.813    58.356   208.391    99.648   140.545    71.993   38.877  10.372  32.344  8.8956  6.532825       13.66407 
1 1 1 -12 -34 43 o 21.726  6.3618  60.661     35.685   57.269     63.305   62.241     43.203   23.051  8.5329  22.249  7.0966  0.8018494      11.09828 
1 1 1 -12 -34 44 o 19.619  6.5409  46.547     36.492   95.164     59.960   17.947     45.989   26.997  8.3253  17.274  7.0164  9.723404       10.88767 
1 1 1 -12 -34 45 o 36.465  5.2076  168.645    44.767   204.738    75.340   148.947    55.658   39.181  8.1886  33.665  7.0402  5.515583       10.79890 
1 1 1 -12 -34 46 o 60.215  4.2045  449.814    61.045   345.350    100.773  510.370    76.725   51.015  8.4358  63.880  4.9897  -12.86455      9.801027 
1 1 1 -12 -34 47 o 16.538  6.9365  8.9786     46.936   16.101     70.952   3.4363     62.587   20.251  8.5128  18.307  7.8559  1.943609       11.58377 
1 1 1 -12 -34 48 o 27.863  7.8181  103.601    55.009   69.059     108.800  115.463    63.758   27.191  10.880  29.304  8.4816  -2.113098      13.79547 
1 1 1 -12 -34 49 o 33.454  7.3254  149.104    57.815   138.686    117.109  152.461    66.481   32.403  11.666  33.535  8.2313  -1.131504      14.27765 
1 1 1 -12 -34 50 o 25.690  6.4382  87.289     40.052   -65.6331   77.536   142.943    46.776   16.455  7.7126  33.136  6.0404  -16.68102      9.796485 
1 1 1 -12 -34 51 o 29.419  6.3167  114.238    43.743   127.704    82.657   109.000    51.554   30.477  9.8259  28.444  7.3994  2.032555       12.30044 
1 1 1 -12 -34 52 o 27.654  6.5367  101.912    43.168   228.218    86.768   60.366     49.763   40.456  9.0639  22.094  7.6340  18.36258       11.85039 
1 1 1 -12 -34 53 o 46.639  4.8724  275.842    54.324   351.460    101.868  245.791    64.217   50.621  8.6014  43.385  6.2831  7.235950       10.65183 
1 1 1 -12 -34 54 o 89.426  4.0990  996.019    88.941   972.093    151.499  1008.60    109.867  85.679  7.3588  89.234  5.0954  -3.555664      8.950699 
1 1 1 -12 -34 55 o 52.342  5.3218  351.202    66.649   386.124    128.168  338.259    78.028   51.143  10.673  50.718  6.4893  0.4251823      12.49118 
1 1 1 -12 -34 56 o 30.235  7.6315  126.703    55.992   150.581    111.321  118.616    64.783   31.951  11.388  28.994  8.5944  2.957338       14.26682 
1 1 1 -12 -34 57 o 42.837  6.2476  242.448    63.026   255.431    125.704  238.088    72.844   39.964  12.000  41.748  7.4651  -1.784184      14.13288 
1 1 1 -12 -34 58 o 23.829  8.7995  71.024     67.242   34.083     133.180  83.663     77.900   25.558  11.208  25.484  9.4592  0.7373428E-01  14.66579 
1 1 1 -12 -34 59 o 48.984  7.9720  331.550    91.493   602.804    171.591  223.795    108.149  62.337  11.776  37.950  11.064  24.38697       16.15846 
1 1 1 -12 -34 60 o 43.678  6.3069  252.745    64.905   253.792    131.805  252.410    74.573   39.403  12.375  42.990  7.4172  -3.586845      14.42786 
1 1 1 -12 -34 61 o 77.204  4.8357  757.381    90.129   759.207    165.432  756.610    107.481  72.753  9.6063  76.380  5.8438  -3.626968      11.24417 
1 1 1 -12 -34 62 o 24.132  8.0849  78.250     55.750   75.439     124.597  78.954     62.339   27.140  11.336  24.415  8.5381  2.724878       14.19196 
1 1 1 -12 -34 63 o 27.064  10.287  96.749     93.320   140.641    263.538  90.457     99.786   33.778  15.225  26.836  10.521  6.942684       18.50635 
1 1 1 -12 -34 64 o 32.250  11.071  161.466    104.578  427.089    272.986  115.780    113.215  43.120  17.241  28.851  11.235  14.26822       20.57860 
1 1 1 -12 -34 65 o 22.181  9.4709  33.899     90.156   176.469    268.645  15.804     95.706   33.683  15.259  21.585  9.4823  12.09752       17.96559 
1 1 1 -12 -33 1  o 21.704  6.6325  59.966     38.154   25.400     52.642   98.218     55.378   18.884  7.5639  27.320  7.9038  -8.436047      10.93995 
1 1 1 -12 -33 2  o 12.620  5.5275  -6.2260    32.306   -57.1881   42.369   64.560     49.934   11.302  5.4130  22.929  7.6517  -11.62723      9.372765 
1 1 1 -12 -33 3  o 41.880  5.4939  221.762    54.481   208.145    69.432   243.581    87.886   39.909  7.4438  42.736  8.7694  -2.827160      11.50271 
1 1 1 -12 -33 4  o 96.196  4.5738  1142.22    106.757  1122.42    137.578  1172.18    169.250  94.592  6.0256  95.931  7.3266  -1.339340      9.486075 
1 1 1 -12 -33 5  o 24.314  8.4402  70.048     60.864   -19.9921   139.145  91.351     67.682   25.471  11.300  26.976  8.9038  -1.504240      14.38642 
1 1 1 -12 -33 6  f 24.135  8.1977  70.155     57.324   109.059    134.707  61.552     63.346   32.002  12.312  23.631  8.5693  8.371887       15.00090 
1 1 1 -12 -33 7  o 37.361  8.0621  183.376    70.941   265.157    145.798  158.009    81.201   43.593  12.886  34.424  9.4391  9.169060       15.97336 
1 1 1 -12 -33 8  o 72.500  6.0529  657.783    105.505  582.286    192.541  690.179    126.127  64.991  12.665  73.850  7.1272  -8.859070      14.53268 
1 1 1 -12 -33 9  o 18.727  7.7974  12.756     58.681   -0.0046    126.214  16.275     66.280   25.452  11.039  19.994  8.3027  5.457859       13.81320 
1 1 1 -12 -33 10 o 64.028  6.2237  513.609    95.469   376.268    168.098  579.000    115.991  51.990  13.278  67.680  7.1725  -15.69047      15.09153 
1 1 1 -12 -33 11 o 29.928  8.6666  116.120    66.554   231.854    136.390  79.951     76.247   41.440  12.513  26.525  9.4276  14.91502       15.66693 
1 1 1 -12 -33 12 o 72.246  5.9260  649.619    102.966  603.159    177.942  673.006    126.250  67.451  11.270  73.110  7.2109  -5.658783      13.37952 
1 1 1 -12 -33 13 o 113.421 3.9718  1573.76    109.305  1591.94    158.238  1557.16    151.165  113.415 5.7691  112.380 5.5437  1.034866       8.000957 
1 1 1 -12 -33 14 o 63.664  4.0644  497.806    62.458   457.331    90.643   534.396    86.183   60.493  6.2663  65.658  5.4591  -5.164764      8.310723 
1 1 1 -12 -33 15 o 28.657  6.0024  105.033    40.399   90.108     57.268   119.818    56.998   26.711  8.1177  30.411  7.7130  -3.699696      11.19761 
1 1 1 -12 -33 16 o 66.265  4.0484  538.785    64.781   494.008    93.756   579.692    89.612   62.951  6.2194  68.442  5.4410  -5.490623      8.263489 
1 1 1 -12 -33 17 o 36.028  7.5379  167.247    63.778   167.247    63.778   0.0000     0.0000   36.028  7.5379  ?       ?       0.000000       7.537908 
1 1 1 -12 -33 18 o 111.168 5.7772  1525.48    155.296  1525.48    155.296  0.0000     0.0000   111.168 5.7772  ?       ?       0.000000       5.777170 
1 1 1 -12 -33 19 o 21.106  8.6582  21.293     70.907   21.293     70.907   0.0000     0.0000   21.106  8.6582  ?       ?       0.000000       8.658152 
1 1 1 -12 -33 20 o 126.494 4.7262  1959.77    145.058  1964.97    184.023  1951.25    235.736  126.295 6.0051  124.974 7.8132  1.321037       9.854307 
1 1 1 -12 -33 21 o 153.879 4.3724  2895.97    163.252  3055.48    236.201  2750.07    225.891  157.430 6.1835  149.335 6.2341  8.094482       8.780593 
1 1 1 -12 -33 22 o 16.816  6.4530  23.793     36.943   14.279     71.852   27.212     43.073   20.708  8.6257  18.072  6.9595  2.636333       11.08323 
1 1 1 -12 -33 23 o 15.683  6.3375  13.502     37.313   -71.7144   89.865   31.254     41.016   18.327  8.4936  18.274  6.8478  0.5261230E-01  10.91024 
1 1 1 -12 -33 24 o 152.088 5.7528  2845.51    212.293  3071.60    319.470  2666.73    284.090  156.568 8.4405  146.070 8.0466  10.49867       11.66147 
1 1 1 -12 -33 25 o 116.170 5.2094  1656.26    146.840  1822.78    229.060  1540.08    191.323  120.756 7.8605  111.256 7.1247  9.499138       10.60892 
1 1 1 -12 -33 26 o 19.731  7.1220  40.732     43.681   161.218    103.025  14.326     48.231   35.423  10.911  17.484  7.1530  17.93894       13.04678 
1 1 1 -12 -33 27 o 115.838 5.2411  1647.77    147.311  1540.15    229.812  1722.83    191.928  110.554 8.6356  117.803 6.7425  -7.248825      10.95609 
1 1 1 -12 -33 28 f 34.983  4.8241  152.779    39.860   136.384    84.577   157.460    45.193   32.610  9.8551  35.396  5.4358  -2.786594      11.25482 
1 1 1 -12 -33 29 o 56.948  4.6926  400.114    64.265   0.0000     0.0000   400.114    64.265   ?       ?       56.948  4.6926  0.000000       4.692649 
1 1 1 -12 -33 30 o 18.918  6.5015  40.639     36.070   0.0000     0.0000   40.639     36.070   ?       ?       18.918  6.5015  0.000000       6.501453 
1 1 1 -12 -33 31 o 66.493  4.2340  543.367    67.955   654.287    161.049  519.340    74.955   71.273  9.5530  64.881  4.7952  6.391953       10.68892 
1 1 1 -12 -33 32 o 113.063 3.8236  1562.82    104.897  1733.20    166.314  1450.27    135.175  118.485 5.7849  108.585 5.1305  9.900551       7.732274 
1 1 1 -12 -33 33 o 64.289  3.5961  506.546    55.871   572.440    89.274   464.119    71.635   67.926  5.4628  61.270  4.8584  6.656792       7.310645 
1 1 1 -12 -33 34 o 35.779  4.5221  159.542    38.382   206.993    65.642   134.891    47.312   40.211  6.9809  32.468  6.2322  7.743599       9.358103 
1 1 1 -12 -33 35 o 56.072  3.7613  386.397    50.878   391.500    84.388   383.483    63.771   55.795  6.3462  55.643  4.7694  0.1525307      7.938663 
1 1 1 -12 -33 36 o 16.325  5.9546  27.216     30.650   20.282     55.948   30.189     36.638   19.000  7.7307  17.503  6.4890  1.497292       10.09309 
1 1 1 -12 -33 37 o 67.425  3.6812  558.181    59.997   621.974    96.977   518.622    76.367   70.616  5.7086  64.685  4.9021  5.930962       7.524577 
1 1 1 -12 -33 38 o 45.264  4.1196  253.543    44.750   171.934    75.242   298.208    55.664   36.012  8.7069  48.972  4.7440  -12.96004      9.915453 
1 1 1 -12 -33 39 o 24.756  5.8810  79.217     34.803   93.875     61.491   72.309     42.215   27.077  8.4443  23.734  6.9107  3.343163       10.91171 
1 1 1 -12 -33 40 o 29.032  6.6575  109.764    45.899   101.155    65.144   118.251    64.681   27.986  8.6856  29.953  8.5033  -1.967249      12.15509 
1 1 1 -12 -33 41 o 85.764  5.4288  917.170    112.390  955.365    175.244  890.485    146.481  85.889  8.5215  83.604  7.2939  2.284660       11.21680 
1 1 1 -12 -33 42 o 32.365  7.1476  137.317    54.632   81.811     90.116   169.570    68.694   27.264  10.163  35.756  8.1050  -8.491310      12.99931 
1 1 1 -12 -33 43 o 16.539  6.8960  9.7870     45.990   -17.2241   80.864   22.701     55.914   19.475  8.6283  19.074  7.7404  0.4006348      11.59142 
1 1 1 -12 -33 44 o 24.021  6.4282  75.124     38.205   39.239     66.067   93.152     46.828   21.660  8.5386  26.639  7.1116  -4.978626      11.11224 
1 1 1 -12 -33 45 o 41.934  4.7926  220.484    47.888   261.348    81.433   198.882    59.208   44.629  7.8042  39.292  6.4330  5.336662       10.11379 
1 1 1 -12 -33 46 o 50.133  4.5275  313.223    54.480   239.126    94.003   350.699    66.853   41.930  9.4641  52.826  5.2866  -10.89643      10.84053 
1 1 1 -12 -33 47 o 46.702  5.4394  275.620    60.483   372.062    93.047   205.053    79.592   53.555  7.3545  39.039  8.6317  14.51625       11.34001 
1 1 1 -12 -33 48 o 47.711  6.0363  290.462    68.318   226.970    124.641  317.730    81.680   39.836  11.947  49.537  6.9898  -9.701294      13.84135 
1 1 1 -12 -33 49 o 64.579  5.6202  526.705    87.187   508.202    159.741  534.555    104.053  60.008  11.387  64.515  6.7469  -4.506271      13.23612 
1 1 1 -12 -33 50 o 27.292  7.8483  99.377     54.751   116.643    115.922  94.419     62.116   30.777  11.516  26.793  8.5054  3.983782       14.31656 
1 1 1 -12 -33 51 o 21.145  6.9082  56.186     40.781   124.262    81.123   33.164     47.176   30.245  9.7326  18.862  7.2780  11.38311       12.15287 
1 1 1 -12 -33 52 o 47.733  4.6848  286.808    53.560   308.756    100.791  278.171    63.226   47.366  9.1005  46.600  5.7112  0.7662888      10.74416 
1 1 1 -12 -33 53 f 56.298  4.4119  397.152    59.785   454.901    110.202  373.068    71.168   58.295  8.0021  54.082  5.4999  4.212952       9.709934 
1 1 1 -12 -33 54 o 80.013  4.1524  798.547    80.340   819.062    140.905  788.666    97.793   78.707  7.4676  78.950  5.1328  -0.2435303     9.061513 
1 1 1 -12 -33 55 o 44.497  5.0520  252.648    53.578   240.574    104.357  256.969    62.434   40.384  10.538  44.480  5.9328  -4.095482      12.09348 
1 1 1 -12 -33 56 o 66.263  4.7184  554.984    75.367   618.632    135.732  526.612    90.622   67.102  8.5292  63.813  5.9201  3.288765       10.38240 
1 1 1 -12 -33 57 o 42.791  6.0980  240.334    61.523   302.970    123.527  219.671    70.949   44.356  11.412  40.090  7.5712  4.265373       13.69498 
1 1 1 -12 -33 58 o 17.967  7.7665  5.6525     62.048   101.116    125.648  -25.1353   71.356   28.827  11.636  17.253  7.8349  11.57447       14.02833 
1 1 1 -12 -33 59 o 27.405  9.0093  105.007    69.321   5.5059     136.454  139.620    80.480   24.634  11.042  30.965  9.6612  -6.330845      14.67155 
1 1 1 -12 -33 60 o 39.437  7.0739  210.489    65.203   43.698     153.581  247.161    72.015   27.243  11.989  42.728  7.2023  -15.48498      13.98583 
1 1 1 -12 -33 61 o 31.781  8.0798  141.804    62.444   120.545    130.645  148.099    71.090   30.177  11.972  32.152  8.8384  -1.974985      14.88091 
1 1 1 -12 -33 62 o 27.539  8.1667  105.956    58.486   39.598     128.504  123.293    65.683   25.652  11.133  29.476  8.6311  -3.823175      14.08663 
1 1 1 -12 -33 63 o 22.935  9.5756  41.214     88.843   -211.3773  259.282  74.816     94.568   26.130  12.724  25.606  10.177  0.5243263      16.29358 
1 1 1 -12 -33 64 o 39.274  11.110  241.755    110.613  597.898    282.681  177.365    120.198  51.154  18.156  33.563  11.847  17.59110       21.67891 
1 1 1 -12 -33 65 o 58.726  8.7904  492.493    121.406  608.507    307.759  471.112    132.120  48.696  18.640  56.163  10.065  -7.466579      21.18362 
1 1 1 -12 -32 1  o 76.026  4.0393  712.747    74.245   748.143    109.076  682.189    101.347  77.217  5.8656  73.782  5.7053  3.434425       8.182664 
1 1 1 -12 -32 2  o 49.518  4.4558  304.545    52.963   328.227    76.269   282.487    73.605   50.854  6.3171  47.017  6.6364  3.836697       9.162277 
1 1 1 -12 -32 3  o 76.443  4.0151  719.586    74.213   634.703    108.161  795.097    102.016  70.989  6.3463  79.940  5.2893  -8.951820      8.261491 
1 1 1 -12 -32 4  o 45.342  4.5742  255.646    49.637   259.347    71.069   252.121    69.358   45.066  6.7034  44.445  6.6347  0.6218147      9.431573 
1 1 1 -12 -32 5  o 13.604  5.7352  3.1663     32.354   -30.6721   45.396   38.099     46.124   13.405  6.1488  19.561  7.2751  -6.156102      9.525447 
1 1 1 -12 -32 6  o 33.798  5.1163  143.921    40.645   171.908    59.484   119.410    55.667   36.516  6.9679  30.240  7.5966  6.276117       10.30826 
1 1 1 -12 -32 7  o 19.487  6.6932  43.610     38.226   40.519     47.992   48.974     63.223   20.078  7.4301  22.498  8.4873  -2.419378      11.28008 
1 1 1 -12 -32 8  o 73.200  5.9921  667.540    105.496  484.892    184.350  756.479    128.642  59.390  13.141  77.633  6.9012  -18.24339      14.84277 
1 1 1 -12 -32 9  o 22.899  8.2952  55.974     59.336   68.713     132.029  52.750     66.422   29.845  11.970  23.217  8.7114  6.627586       14.80447 
1 1 1 -12 -32 10 o 37.097  8.2194  178.999    72.037   320.220    138.359  126.480    84.375   48.769  11.816  31.535  9.9010  17.23366       15.41616 
1 1 1 -12 -32 11 o 63.550  6.0500  502.832    92.164   347.733    162.159  576.839    112.015  50.556  13.109  67.856  6.8993  -17.30014      14.81396 
1 1 1 -12 -32 12 o 129.176 5.9156  2056.73    185.417  2075.11    291.398  2044.23    240.350  127.894 9.4572  127.834 7.7859  0.5970001E-01  12.24987 
1 1 1 -12 -32 13 o 81.428  5.7765  819.977    113.390  827.047    189.545  816.037    141.503  80.332  9.9363  80.778  7.2983  -0.4463959     12.32862 
1 1 1 -12 -32 14 o 86.746  5.7082  929.069    119.475  866.765    194.575  966.776    151.371  82.334  9.9408  88.069  7.1452  -5.735085      12.24227 
1 1 1 -12 -32 15 o 131.337 4.1119  2106.81    131.037  2084.24    188.729  2127.83    182.078  130.148 5.9764  131.585 5.7028  -1.436600      8.260695 
1 1 1 -12 -32 16 o 189.553 6.9111  4439.21    317.864  4439.21    317.864  0.0000     0.0000   189.553 6.9111  ?       ?       0.000000       6.911078 
1 1 1 -12 -32 17 o 139.028 8.1587  2410.88    274.019  2410.88    274.019  0.0000     0.0000   139.028 8.1587  ?       ?       0.000000       8.158703 
1 1 1 -12 -32 18 f 98.255  4.5924  1180.22    109.485  1171.37    133.043  1198.79    192.704  97.539  5.6456  97.900  8.1875  -0.3610764     9.945223 
1 1 1 -12 -32 19 o 118.469 4.0035  1712.45    115.081  1675.14    165.175  1747.65    160.428  116.800 5.8283  119.370 5.5388  -2.570580      8.040356 
1 1 1 -12 -32 20 o 80.099  3.8222  782.384    74.287   749.932    109.797  809.782    100.884  77.943  5.8482  81.162  5.1494  -3.219589      7.792198 
1 1 1 -12 -32 21 o 174.545 4.5951  3723.36    194.611  3867.73    280.095  3588.62    270.594  177.243 6.5128  170.721 6.5323  6.522415       9.224330 
1 1 1 -12 -32 22 o 152.504 4.1371  2838.43    153.090  3118.63    231.153  2619.49    204.324  159.342 5.9787  146.098 5.7638  13.24364       8.304575 
1 1 1 -12 -32 23 o 170.862 4.3773  3565.49    181.474  3916.28    270.602  3278.78    244.644  178.456 6.2494  163.313 6.1737  15.14299       8.784614 
1 1 1 -12 -32 24 o 62.081  5.1665  475.120    77.118   704.689    137.645  370.088    93.103   75.077  7.6634  54.280  7.2503  20.79741       10.54958 
1 1 1 -12 -32 25 o 112.971 5.1735  1563.11    141.812  1690.75    223.452  1477.03    183.503  116.494 7.9528  109.190 6.9625  7.304420       10.56993 
1 1 1 -12 -32 26 f 88.707  4.9799  966.213    106.755  1300.14    173.517  762.828    135.417  102.379 7.0276  78.246  7.2138  24.13242       10.07104 
1 1 1 -12 -32 27 o 152.831 5.8454  2869.78    216.765  2913.40    328.853  2836.26    288.248  152.480 8.9274  150.964 7.8966  1.515656       11.91867 
1 1 1 -12 -32 28 o 184.571 8.8542  4257.21    396.531  0.0000     0.0000   4257.21    396.531  ?       ?       184.571 8.8542  0.000000       8.854199 
1 1 1 -12 -32 29 o 120.213 5.0483  1770.94    147.251  0.0000     0.0000   1770.94    147.251  ?       ?       120.213 5.0483  0.000000       5.048288 
1 1 1 -12 -32 30 o 82.108  4.1360  825.719    82.136   894.156    182.793  808.406    91.940   83.980  9.1170  81.130  4.6905  2.849594       10.25284 
1 1 1 -12 -32 31 o 79.552  3.7302  772.394    72.003   921.258    122.726  694.259    88.913   86.303  5.8959  75.102  4.9061  11.20076       7.670227 
1 1 1 -12 -32 32 o 125.349 3.8588  1919.09    117.365  2008.66    177.941  1850.11    156.145  127.722 5.7418  122.728 5.2435  4.994461       7.775736 
1 1 1 -12 -32 33 o 53.342  3.7525  349.207    48.260   407.706    78.421   313.548    61.227   57.253  5.7216  50.281  5.0886  6.972824       7.657081 
1 1 1 -12 -32 34 o 30.502  5.0948  117.312    36.377   152.511    60.463   97.343     45.541   34.347  7.4680  27.473  6.8542  6.873089       10.13665 
1 1 1 -12 -32 35 o 36.040  4.4531  161.577    38.112   51.607     65.049   219.062    47.030   22.985  8.6216  41.995  4.6959  -19.00957      9.817483 
1 1 1 -12 -32 36 o 70.567  4.4758  613.348    76.240   666.545    99.824   538.881    118.107  73.254  5.6600  65.190  7.6099  8.064102       9.484034 
1 1 1 -12 -32 37 o 15.377  5.8213  21.316     29.808   64.711     54.818   3.0982     35.518   23.462  8.0162  14.222  6.0031  9.239864       10.01482 
1 1 1 -12 -32 38 o 34.789  4.6467  151.363    38.244   156.130    66.794   149.039    46.647   34.504  8.1144  34.236  5.8238  0.2678223      9.987967 
1 1 1 -12 -32 39 o 10.115  4.7405  -29.2595   29.268   -70.7200   50.140   -7.8308    36.046   12.180  5.8481  13.285  5.8281  -1.104712      8.256330 
1 1 1 -12 -32 40 o 50.212  4.0734  311.444    49.201   374.921    80.492   273.582    62.166   54.531  6.1933  46.658  5.6032  7.873150       8.351825 
1 1 1 -12 -32 41 f 66.231  5.4942  547.670    87.497   441.877    138.674  617.642    112.780  57.410  10.335  69.884  6.7344  -12.47334      12.33561 
1 1 1 -12 -32 42 o 45.864  6.1602  267.019    66.820   340.889    110.429  224.349    83.929   50.648  9.3295  41.119  8.6844  9.529030       12.74588 
1 1 1 -12 -32 43 o 67.263  5.5226  566.063    89.336   680.898    142.836  492.279    114.494  72.526  8.2643  61.760  7.8153  10.76683       11.37441 
1 1 1 -12 -32 44 o 60.708  4.0214  455.151    58.901   361.316    97.302   509.422    73.999   52.732  7.8436  64.007  4.7996  -11.27556      9.195571 
1 1 1 -12 -32 45 o 21.606  6.8512  58.449     40.312   33.263     72.364   69.783     48.542   21.840  8.8257  23.539  7.5238  -1.698465      11.59743 
1 1 1 -12 -32 46 o 39.544  4.8756  196.464    45.791   240.572    82.394   176.752    55.081   42.629  8.2640  37.038  6.3581  5.591511       10.42684 
1 1 1 -12 -32 47 o 33.702  5.5796  145.172    44.030   182.239    78.980   128.457    53.037   36.740  8.9436  31.231  7.1528  5.509563       11.45210 
1 1 1 -12 -32 48 o 31.571  5.8934  128.616    43.486   232.209    82.831   89.199     51.094   41.693  8.4766  26.086  7.6049  15.60662       11.38807 
1 1 1 -12 -32 49 o 89.953  5.4926  1014.95    119.308  1006.79    203.889  1019.19    147.128  86.533  9.8882  89.347  6.8385  -2.813606      12.02255 
1 1 1 -12 -32 50 o 11.686  5.5734  -54.7781   43.912   -76.1719   96.688   -49.2186   49.288   18.531  8.6626  12.954  6.0963  5.577306       10.59267 
1 1 1 -12 -32 51 o 14.094  6.0527  0.0233     37.203   8.4107     77.324   -2.5030    42.437   20.391  8.7404  14.794  6.4089  5.596732       10.83831 
1 1 1 -12 -32 52 o 34.325  5.7486  152.204    46.186   237.965    90.959   122.412    53.611   41.491  9.2688  30.212  7.3771  11.27830       11.84624 
1 1 1 -12 -32 53 o 38.006  5.3461  184.880    47.938   109.363    90.890   213.984    56.424   28.973  10.294  40.728  5.8799  -11.75432      11.85466 
1 1 1 -12 -32 54 o 47.154  4.8574  281.255    54.781   236.538    101.357  299.707    65.109   40.529  10.289  48.352  5.6566  -7.822533      11.74104 
1 1 1 -12 -32 55 f 38.660  5.4730  192.573    49.905   362.889    98.647   133.992    57.854   51.773  8.1197  31.315  7.6741  20.45807       11.17234 
1 1 1 -12 -32 56 o 71.095  4.7473  637.555    81.423   743.064    150.151  593.604    96.909   73.798  8.5433  67.862  5.9453  5.935959       10.40841 
1 1 1 -12 -32 57 o 81.906  4.6653  845.867    92.333   730.255    167.043  896.731    110.798  71.629  9.8735  83.745  5.4830  -12.11520      11.29374 
1 1 1 -12 -32 58 o 17.023  7.2126  10.328     51.583   -24.2255   107.280  20.719     58.830   21.201  9.6198  18.766  7.8100  2.434429       12.39100 
1 1 1 -12 -32 59 o 18.420  7.9053  9.3824     63.395   79.998     133.682  -11.1056   72.007   28.079  11.737  18.139  8.0832  9.940691       14.25089 
1 1 1 -12 -32 60 f 23.530  9.0568  62.870     72.916   79.096     139.682  56.792     85.488   28.310  11.925  23.887  9.6138  4.422352       15.31746 
1 1 1 -12 -32 61 o 52.862  5.9052  363.210    74.449   386.547    144.381  354.758    86.892   49.683  12.091  51.469  7.1509  -1.786747      14.04754 
1 1 1 -12 -32 62 o 28.299  8.3354  112.003    61.100   131.040    132.490  106.861    68.860   31.011  12.132  27.691  8.9728  3.320181       15.08967 
1 1 1 -12 -32 63 o 41.179  10.494  254.495    105.162  275.100    279.292  251.091    113.517  39.003  16.662  40.370  11.197  -1.366570      20.07474 
1 1 1 -12 -32 64 o 27.669  10.711  98.841     102.435  202.801    272.601  81.748     110.535  36.127  15.932  26.857  10.889  9.270718       19.29754 
1 1 1 -12 -32 65 o 24.771  10.038  66.262     93.881   -37.2942   298.250  77.651     98.909   30.300  14.471  25.816  10.358  4.483271       17.79622 
1 1 1 -12 -31 1  o 69.105  4.0330  588.288    67.330   590.875    98.146   585.988    92.540   68.654  5.9505  68.487  5.6182  0.1669922      8.183705 
1 1 1 -12 -31 2  o 55.948  4.1531  386.367    55.977   415.341    80.554   359.312    77.841   57.550  5.8501  53.406  6.1173  4.144272       8.464352 
1 1 1 -12 -31 3  o 19.712  6.3444  47.350     34.471   81.098     45.756   3.0584     52.419   25.104  7.1608  17.037  7.2468  8.067127       10.18788 
1 1 1 -12 -31 4  o 97.869  3.9117  1173.02    92.890   1232.06    135.602  1120.82    127.505  99.654  5.6311  95.064  5.5519  4.589676       7.907732 
1 1 1 -12 -31 5  o 72.797  3.9100  650.416    68.811   706.782    101.706  602.835    93.445   75.451  5.5953  69.657  5.5755  5.794113       7.898948 
1 1 1 -12 -31 6  o 72.105  3.9006  637.747    67.990   642.201    99.772   633.886    92.899   71.895  5.7680  71.531  5.3921  0.3637085      7.895827 
1 1 1 -12 -31 7  f 65.430  3.9660  525.377    62.667   541.243    91.691   511.469    85.847   65.998  5.7841  64.200  5.5660  1.798073       8.027198 
1 1 1 -12 -31 8  o 66.854  4.2561  549.026    68.681   543.531    110.782  552.457    87.534   65.819  7.0461  66.803  5.4477  -0.9833298     8.906518 
1 1 1 -12 -31 9  o 58.226  3.9895  416.104    56.024   403.896    81.944   426.818    76.768   56.942  6.0223  58.686  5.4535  -1.744461      8.124564 
1 1 1 -12 -31 10 o 89.797  4.4003  986.142    95.874   890.999    122.628  1135.74    153.770  84.864  5.9938  95.655  6.6669  -10.79102      8.965093 
1 1 1 -12 -31 11 o 75.370  5.8185  702.289    105.584  645.375    176.638  733.929    131.702  70.712  10.623  76.699  7.1596  -5.986542      12.81079 
1 1 1 -12 -31 12 o 42.206  7.3647  226.482    72.678   140.810    133.731  262.391    86.580   35.068  12.483  45.299  8.1779  -10.23133      14.92346 
1 1 1 -12 -31 13 o 38.346  7.8777  188.635    70.844   214.209    131.486  178.174    84.094   40.661  12.288  37.049  9.3533  3.611889       15.44251 
1 1 1 -12 -31 14 o 79.096  5.7745  771.501    110.059  753.353    182.973  781.789    137.767  76.920  10.043  79.262  7.2434  -2.342468      12.38288 
1 1 1 -12 -31 15 o 42.046  12.541  229.380    137.633  229.380    137.633  0.0000     0.0000   42.046  12.541  ?       ?       0.000000       12.54145 
1 1 1 -12 -31 16 o 147.178 9.4014  2710.89    333.984  2710.89    333.984  0.0000     0.0000   147.178 9.4014  ?       ?       0.000000       9.401420 
1 1 1 -12 -31 17 o 143.125 4.9543  2503.83    172.054  2551.55    209.839  2405.94    300.553  144.233 5.9959  138.861 8.9681  5.371872       10.78790 
1 1 1 -12 -31 18 o 127.966 4.0352  1996.29    125.293  1879.11    179.655  2107.25    174.827  123.796 5.9809  131.205 5.4915  -7.408409      8.119626 
1 1 1 -12 -31 19 o 61.079  3.9220  456.489    57.818   436.334    89.113   471.142    75.982   59.308  6.2884  61.876  5.1065  -2.567852      8.100638 
1 1 1 -12 -31 20 o 30.603  5.5208  118.064    39.487   211.644    64.524   62.034     49.927   40.986  6.7212  23.006  7.6499  17.98067       10.18309 
1 1 1 -12 -31 21 o 15.674  5.5967  25.657     26.901   -27.0581   58.094   40.046     30.351   15.981  7.1808  18.370  5.9575  -2.389338      9.330331 
1 1 1 -12 -31 22 o 11.739  5.1349  -6.2502    27.802   -44.7932   69.408   1.1156     30.342   16.765  7.6573  13.064  5.5333  3.700809       9.447328 
1 1 1 -12 -31 23 o 38.996  4.4923  187.975    41.729   156.623    83.005   198.579    48.272   34.907  9.5318  39.993  5.0898  -5.086811      10.80563 
1 1 1 -12 -31 24 o 60.293  3.8268  444.678    55.694   369.641    99.568   478.845    67.188   54.195  7.7963  62.487  4.4607  -8.292377      8.982166 
1 1 1 -12 -31 25 o 161.878 5.7781  3210.69    226.952  4325.80    342.797  2340.49    302.824  187.249 7.5449  136.909 9.1688  50.34000       11.87400 
1 1 1 -12 -31 26 o 153.955 5.7442  2904.45    214.581  3388.95    324.302  2527.15    286.185  165.498 8.0759  142.609 8.3065  22.88901       11.58528 
1 1 1 -12 -31 27 o 126.257 7.1646  1971.04    218.585  0.0000     0.0000   1971.04    218.585  ?       ?       126.257 7.1646  0.000000       7.164642 
1 1 1 -12 -31 28 f 53.557  6.6458  358.120    84.507   0.0000     0.0000   358.120    84.507   ?       ?       53.557  6.6458  0.000000       6.645823 
1 1 1 -12 -31 29 o 84.513  6.3560  883.036    129.383  0.0000     0.0000   883.036    129.383  ?       ?       84.513  6.3560  0.000000       6.355984 
1 1 1 -12 -31 30 o 26.808  6.0303  91.734     38.275   102.019    81.785   88.850     43.311   29.249  9.7924  26.354  6.7448  2.894617       11.89047 
1 1 1 -12 -31 31 o 44.638  3.9893  245.056    42.753   181.764    70.602   281.702    53.723   37.588  7.9875  47.768  4.6957  -10.18062      9.265512 
1 1 1 -12 -31 32 o 68.135  3.5920  567.595    59.174   536.037    93.636   588.579    76.354   65.765  5.9317  69.224  4.5716  -3.458328      7.488955 
1 1 1 -12 -31 33 o 83.507  3.5358  850.386    71.643   967.421    112.690  770.991    92.816   88.641  5.2631  79.189  4.8539  9.451805       7.159629 
1 1 1 -12 -31 34 o 54.628  3.7531  365.975    49.446   372.582    80.175   361.919    62.815   54.637  6.1549  54.133  4.8331  0.5038528      7.825715 
1 1 1 -12 -31 35 o 66.934  3.6501  548.519    59.058   451.940    95.056   609.238    75.370   60.078  6.6313  70.406  4.4346  -10.32763      7.977436 
1 1 1 -12 -31 36 o 51.216  4.8675  324.791    59.762   317.094    79.355   334.876    90.835   50.156  6.6872  51.325  7.5166  -1.168747      10.06073 
1 1 1 -12 -31 37 o 74.416  3.6485  676.610    65.879   640.620    105.306  699.754    84.444   71.711  6.1104  75.377  4.6396  -3.665794      7.672190 
1 1 1 -12 -31 38 o 70.031  3.7111  601.311    62.835   674.334    99.091   552.200    81.263   73.702  5.5825  66.799  5.0510  6.902893       7.528408 
1 1 1 -12 -31 39 o 94.684  3.7367  1096.88    85.847   1121.51    133.923  1079.70    111.850  94.999  5.8382  93.519  4.9468  1.479935       7.652126 
1 1 1 -12 -31 40 o 8.0864  3.9883  -60.9108   28.101   -62.9044   50.212   -60.0017   33.908   12.553  5.9792  9.4523  4.6026  3.100268       7.545476 
1 1 1 -12 -31 41 o 50.917  4.1241  320.207    50.514   371.720    82.662   289.506    63.815   54.250  6.4031  48.037  5.5789  6.213474       8.492559 
1 1 1 -12 -31 42 o 65.700  5.4943  538.633    86.783   571.478    137.770  517.027    111.738  66.326  8.7762  63.664  7.3697  2.661880       11.46012 
1 1 1 -12 -31 43 o 70.839  5.4720  626.162    93.326   631.784    147.691  622.425    120.413  69.601  8.9528  69.931  7.1993  -0.3299255     11.48837 
1 1 1 -12 -31 44 o 70.903  5.5201  628.194    94.220   524.923    149.290  696.558    121.467  62.639  10.171  74.128  6.8301  -11.48907      12.25188 
1 1 1 -12 -31 45 o 27.691  5.7417  98.868     37.312   86.133     69.054   104.119    44.342   26.457  8.9973  28.255  6.5889  -1.798525      11.15190 
1 1 1 -12 -31 46 f 20.224  6.5993  50.047     37.220   -35.6152   72.815   80.346     43.305   17.436  7.9168  24.853  6.9237  -7.417025      10.51734 
1 1 1 -12 -31 47 o 78.196  3.9625  753.846    74.938   755.541    125.411  752.905    93.458   77.126  6.7699  77.792  4.9774  -0.6654129     8.402766 
1 1 1 -12 -31 48 o 30.716  5.9874  121.888    43.020   129.227    82.475   119.145    50.424   31.196  9.7879  30.104  7.0305  1.091721       12.05118 
1 1 1 -12 -31 49 o 55.091  5.9737  384.622    78.573   212.656    147.658  452.551    92.803   38.915  13.157  59.571  6.5272  -20.65665      14.68720 
1 1 1 -12 -31 50 o 42.191  6.7352  230.521    66.631   244.009    132.463  225.952    77.094   41.189  12.308  41.266  7.9882  -0.7690811E-01 14.67278 
1 1 1 -12 -31 51 o 18.205  7.3047  23.588     49.190   41.936     111.053  19.110     54.866   25.727  10.720  18.523  7.6094  7.203974       13.14652 
1 1 1 -12 -31 52 o 21.087  6.9530  55.301     41.277   102.518    86.264   41.281     47.007   28.429  10.036  19.782  7.3469  8.647322       12.43774 
1 1 1 -12 -31 53 o 55.685  4.5071  387.881    60.375   522.720    113.677  334.902    71.256   63.100  7.5761  51.190  5.8414  11.91049       9.566594 
1 1 1 -12 -31 54 o 13.732  5.9505  -2.2597    36.605   -0.2293    84.299   -2.7315    40.636   20.490  8.9528  14.411  6.2572  6.079950       10.92263 
1 1 1 -12 -31 55 f 15.559  6.3961  13.029     38.799   -18.2069   87.575   20.658     43.278   19.796  8.8613  16.990  6.8394  2.806345       11.19375 
1 1 1 -12 -31 56 o 69.199  4.9600  605.041    82.728   675.994    155.049  576.804    97.814   69.803  9.3928  66.887  6.0938  2.915939       11.19637 
1 1 1 -12 -31 57 o 78.209  4.7955  771.726    90.564   622.164    162.254  839.406    109.148  65.643  10.544  81.032  5.5854  -15.38885      11.93181 
1 1 1 -12 -31 58 o 19.935  7.6634  40.760     52.159   -133.5031  120.599  80.858     57.850   18.760  9.0233  24.680  8.2358  -5.920010      12.21675 
1 1 1 -12 -31 59 o 40.298  8.7908  229.094    83.538   373.370    163.337  177.986    97.215   47.498  13.523  34.581  10.590  12.91686       17.17611 
1 1 1 -12 -31 60 o 56.454  7.4446  428.110    99.489   532.782    185.317  385.726    117.923  57.150  13.567  51.855  9.7296  5.295147       16.69504 
1 1 1 -12 -31 61 o 11.513  5.5717  -71.4312   47.756   -120.8668  121.323  -62.3671   51.950   19.159  9.1719  12.623  6.0317  6.536339       10.97753 
1 1 1 -12 -31 62 o 19.779  7.7879  36.661     54.901   134.348    131.564  16.063     60.413   31.346  12.138  18.611  7.8410  12.73487       14.44992 
1 1 1 -12 -31 63 o 61.353  8.8749  524.439    128.281  555.100    299.677  517.560    141.943  50.271  18.574  59.820  10.141  -9.548843      21.16233 
1 1 1 -12 -31 64 o 21.296  9.2030  16.132     87.074   -137.6378  290.993  31.254     91.255   28.963  13.951  22.570  9.5797  6.392488       16.92362 
1 1 1 -12 -31 65 o 21.134  9.1902  14.157     87.926   259.257    353.589  -1.9976    90.778   37.918  17.305  20.514  9.1127  17.40372       19.55763 
1 1 1 -12 -30 1  o 48.870  4.3073  295.377    50.553   278.444    73.202   310.816    69.897   46.830  6.6273  49.737  5.9074  -2.907074      8.877982 
1 1 1 -12 -30 2  o 54.023  4.1730  359.826    54.276   368.578    79.039   352.016    74.664   54.195  6.1177  53.009  5.9053  1.185646       8.502929 
1 1 1 -12 -30 3  o 74.161  3.9213  674.791    70.311   639.202    102.445  706.484    96.674   71.652  5.9462  75.543  5.3079  -3.890739      7.970596 
1 1 1 -12 -30 4  o 115.602 4.0110  1634.79    112.509  1574.95    164.141  1687.81    154.518  112.734 6.0224  117.058 5.4402  -4.323601      8.115765 
1 1 1 -12 -30 5  o 33.063  5.1049  137.297    39.635   194.622    58.256   87.892     54.081   39.207  6.3400  26.339  7.8628  12.86820       10.10046 
1 1 1 -12 -30 6  o 58.956  3.9991  426.601    56.870   436.729    83.177   417.709    77.932   59.272  5.8603  58.014  5.6061  1.257092       8.109977 
1 1 1 -12 -30 7  o 150.898 4.8535  2789.40    177.708  2791.01    300.323  2788.52    220.442  149.340 8.3210  150.478 6.0375  -1.137360      10.28061 
1 1 1 -12 -30 8  o 225.947 5.3321  6261.38    292.329  6263.87    418.562  6259.01    408.456  224.692 7.6773  224.724 7.4908  -0.3227234E-01 10.72630 
1 1 1 -12 -30 9  o 68.466  3.9006  573.644    64.531   531.590    93.834   611.383    88.889   65.515  5.9682  70.453  5.2372  -4.937889      7.940230 
1 1 1 -12 -30 10 o 72.188  3.8896  637.256    67.878   676.339    98.780   602.291    93.432   74.082  5.5353  69.882  5.5561  4.200279       7.842762 
1 1 1 -12 -30 11 o 17.616  6.3531  31.963     34.748   81.734     49.288   -17.2164   48.995   25.499  7.4795  15.073  6.6952  10.42651       10.03837 
1 1 1 -12 -30 12 o 99.001  4.3976  1196.04    105.637  1196.07    133.975  1196.00    171.753  98.666  5.6194  98.255  7.2555  0.4107895      9.177156 
1 1 1 -12 -30 13 o 74.918  5.7939  691.480    104.504  632.234    174.526  724.596    130.482  70.374  10.546  76.412  7.1196  -6.037872      12.72393 
1 1 1 -12 -30 14 o 159.004 9.6554  3156.59    370.751  3156.59    370.751  0.0000     0.0000   159.004 9.6554  ?       ?       0.000000       9.655437 
1 1 1 -12 -30 15 o 110.952 8.9160  1534.21    238.004  1534.21    238.004  0.0000     0.0000   110.952 8.9160  ?       ?       0.000000       8.915963 
1 1 1 -12 -30 16 o 128.622 8.9781  2058.18    278.439  2058.18    278.439  0.0000     0.0000   128.622 8.9781  ?       ?       0.000000       8.978127 
1 1 1 -12 -30 17 o 77.124  5.6732  731.336    105.421  614.581    171.167  802.690    133.811  69.509  10.474  80.570  6.9116  -11.06092      12.54887 
1 1 1 -12 -30 18 o 53.571  4.7773  352.881    61.447   479.051    140.734  323.164    68.301   61.409  9.7724  51.114  5.5986  10.29524       11.26256 
1 1 1 -12 -30 19 o 122.823 3.9664  1837.26    118.207  2040.90    172.322  1656.29    162.454  129.223 5.4959  116.370 5.7534  12.85222       7.956538 
1 1 1 -12 -30 20 o 52.662  3.7474  339.300    47.571   387.900    82.674   315.244    58.165   55.951  6.1936  50.610  4.7937  5.340878       7.831940 
1 1 1 -12 -30 21 o 51.767  3.7025  327.850    46.199   407.641    79.634   287.373    56.719   57.448  5.7920  48.283  4.9097  9.164665       7.592908 
1 1 1 -12 -30 22 o 54.168  3.6398  358.727    47.562   360.931    82.075   357.612    58.360   53.908  6.3997  53.975  4.4971  -0.6691742E-01 7.821754 
1 1 1 -12 -30 23 o 120.864 3.8373  1778.66    112.534  1763.95    174.231  1789.19    147.406  120.055 5.9811  121.066 5.0180  -1.011673      7.807289 
1 1 1 -12 -30 24 o 56.922  4.8334  398.170    66.127   419.843    94.446   377.329    92.615   58.107  6.8290  54.986  7.1080  3.120403       9.856930 
1 1 1 -12 -30 25 o 69.893  4.6657  598.516    78.671   623.690    109.930  572.090    112.632  71.045  6.4472  67.920  6.9316  3.125977       9.466474 
1 1 1 -12 -30 26 o 136.942 7.4229  2313.91    245.725  0.0000     0.0000   2313.91    245.725  ?       ?       136.942 7.4229  0.000000       7.422925 
1 1 1 -12 -30 27 o 104.636 6.7058  1349.43    169.358  0.0000     0.0000   1349.43    169.358  ?       ?       104.636 6.7058  0.000000       6.705825 
1 1 1 -12 -30 28 o 149.778 7.7791  2773.88    281.739  0.0000     0.0000   2773.88    281.739  ?       ?       149.778 7.7791  0.000000       7.779139 
1 1 1 -12 -30 29 f 44.328  6.2170  245.560    65.029   350.544    125.526  207.048    76.026   52.126  10.290  40.254  8.0649  11.87212       13.07387 
1 1 1 -12 -30 30 o 78.372  4.9457  753.562    93.566   928.777    149.732  641.308    119.848  86.540  7.1960  71.862  6.9605  14.67793       10.01156 
1 1 1 -12 -30 31 o 15.154  5.7701  19.668     29.393   -27.6520   51.335   42.747     35.851   14.784  6.6865  19.266  6.4833  -4.481833      9.313516 
1 1 1 -12 -30 32 o 65.891  3.6257  530.641    57.744   468.909    91.563   571.406    74.406   61.469  6.2249  68.248  4.5187  -6.779812      7.692123 
1 1 1 -12 -30 33 o 66.549  3.6558  541.476    58.805   482.951    94.364   578.635    75.191   62.343  6.3257  68.662  4.5388  -6.319546      7.785627 
1 1 1 -12 -30 34 o 210.745 4.9918  5439.55    255.257  5599.88    374.653  5300.64    348.716  212.713 7.2589  207.128 6.9385  5.584900       10.04166 
1 1 1 -12 -30 35 o 142.999 4.1014  2497.97    142.309  2450.91    214.280  2535.10    190.349  141.005 6.2630  143.679 5.4600  -2.674576      8.308856 
1 1 1 -12 -30 36 o 59.958  3.7518  440.536    54.308   380.328    88.190   477.315    68.928   55.056  6.7426  62.270  4.5944  -7.214424      8.159119 
1 1 1 -12 -30 37 o 36.629  4.6799  167.048    40.643   166.724    67.429   167.233    50.935   35.870  7.9558  36.368  5.9801  -0.4978943     9.952667 
1 1 1 -12 -30 38 o 117.422 3.9051  1685.78    111.261  1528.27    170.605  1802.35    146.766  110.923 6.3654  121.117 4.9941  -10.19369      8.090736 
1 1 1 -12 -30 39 o 68.608  3.7472  577.135    62.143   634.413    99.721   540.769    79.458   71.433  5.8036  66.132  4.9885  5.300133       7.652895 
1 1 1 -12 -30 40 o 52.663  4.0542  341.680    51.408   389.413    83.711   312.780    65.137   55.676  6.3079  50.059  5.4508  5.616657       8.336711 
1 1 1 -12 -30 41 o 39.859  4.6975  198.003    44.559   152.497    74.806   223.029    55.474   33.990  8.9477  42.124  5.5636  -8.133789      10.53642 
1 1 1 -12 -30 42 o 53.248  5.7609  355.448    73.245   382.506    118.300  338.628    93.274   53.931  9.3809  51.311  7.7318  2.620060       12.15654 
1 1 1 -12 -30 43 o 25.975  7.6095  87.009     51.045   88.276     88.277   86.372     62.565   27.878  10.115  26.286  8.5551  1.592264       13.24779 
1 1 1 -12 -30 44 o 59.202  5.6676  439.093    80.419   343.055    128.920  500.266    102.891  50.181  10.900  62.784  6.8660  -12.60281      12.88223 
1 1 1 -12 -30 45 o 27.592  5.7959  98.135     37.569   100.408    69.357   97.191     44.694   28.031  8.9970  27.296  6.7790  0.7342873      11.26498 
1 1 1 -12 -30 46 o 74.462  3.9562  683.004    71.222   737.018    121.445  654.688    87.930   76.348  6.6212  72.562  5.0251  3.786194       8.312181 
1 1 1 -12 -30 47 o 80.807  3.9896  802.652    78.225   805.385    131.944  801.170    97.138   79.661  6.8942  80.286  5.0115  -0.6250458     8.523187 
1 1 1 -12 -30 48 o 51.871  4.4605  334.313    55.594   400.076    102.142  306.629    66.271   55.543  7.7935  49.311  5.6402  6.231754       9.620362 
1 1 1 -12 -30 49 o 82.571  5.5444  853.411    110.438  841.704    195.030  858.937    133.990  79.058  10.421  82.223  6.7765  -3.164314      12.43044 
1 1 1 -12 -30 50 f 26.135  7.9600  88.914     55.020   49.731     116.516  100.159    62.417   26.800  11.059  27.649  8.4889  -0.8495045     13.94101 
1 1 1 -12 -30 51 o 35.263  7.4617  164.521    61.852   24.180     127.441  207.766    70.743   26.170  11.219  39.672  7.6262  -13.50122      13.56596 
1 1 1 -12 -30 52 o 15.388  6.3115  12.110     37.670   27.416     77.151   7.3194     43.164   21.720  8.9835  15.798  6.6404  5.921703       11.17132 
1 1 1 -12 -30 53 f 47.581  4.8042  284.614    54.706   232.177    106.224  303.542    63.820   40.415  10.674  48.907  5.4717  -8.492538      11.99454 
1 1 1 -12 -30 54 f 29.942  6.5005  118.405    45.873   254.235    95.604   77.780     52.285   42.780  9.4612  24.451  7.8077  18.32911       12.26685 
1 1 1 -12 -30 55 o 30.344  6.6921  122.428    47.948   87.721     92.818   135.062    55.999   27.223  10.280  31.651  7.4206  -4.428108      12.67873 
1 1 1 -12 -30 56 o 69.591  4.3828  605.755    73.628   494.848    135.550  652.173    87.693   59.520  9.7216  71.863  5.0615  -12.34301      10.96033 
1 1 1 -12 -30 57 o 42.364  6.4086  235.363    63.816   272.549    133.596  224.369    72.640   41.953  12.316  40.736  7.6295  1.217651       14.48798 
1 1 1 -12 -30 58 o 34.648  7.6551  164.235    62.642   272.017    126.093  128.918    72.179   42.041  11.851  30.257  9.0952  11.78332       14.93885 
1 1 1 -12 -30 59 o 27.133  11.800  43.013     144.996  43.013     144.996  0.0000     0.0000   27.133  11.800  ?       ?       0.000000       11.80048 
1 1 1 -12 -30 60 o 56.383  7.3986  425.372    98.776   459.048    183.543  411.642    117.193  52.443  14.113  54.099  9.2610  -1.655197      16.88040 
1 1 1 -12 -30 61 o 28.696  8.0846  114.128    58.698   162.160    132.246  102.343    65.504   33.298  12.332  27.281  8.7422  6.017178       15.11602 
1 1 1 -12 -30 62 o 19.469  7.7253  33.535     54.412   202.479    130.447  -2.0510    59.869   36.236  12.366  17.257  7.5421  18.97961       14.48451 
1 1 1 -12 -30 63 o 16.223  7.1305  -5.4013    54.184   -1.7176    132.505  -6.1409    59.375   24.337  10.897  16.896  7.4442  7.441214       13.19666 
1 1 1 -12 -30 64 o 31.969  10.857  150.109    100.540  865.380    330.968  77.394     105.527  62.884  19.588  26.569  10.686  36.31446       22.31258 
1 1 1 -12 -30 65 o 21.776  9.4864  14.537     94.025   127.309    321.737  4.0059     98.317   34.987  16.164  21.595  9.5435  13.39205       18.77112 
1 1 1 -12 -29 1  o 85.797  3.8829  900.386    80.833   887.044    118.757  911.903    110.337  84.541  5.8249  85.881  5.3212  -1.339973      7.889492 
1 1 1 -12 -29 2  o 146.138 4.2973  2615.00    152.379  2589.72    221.050  2637.88    210.342  144.670 6.2972  146.170 5.9307  -1.500320      8.650286 
1 1 1 -12 -29 3  o 17.931  6.1995  36.048     32.821   4.5829     43.813   76.283     49.544   15.873  6.6819  24.693  7.5600  -8.819461      10.08963 
1 1 1 -12 -29 4  o 140.395 4.2182  2409.45    143.697  2537.85    209.106  2294.56    197.802  143.534 6.0041  136.492 5.9725  7.042374       8.468776 
1 1 1 -12 -29 5  o 138.865 4.1763  2355.53    140.718  2241.48    203.971  2459.11    194.385  134.900 6.2315  141.482 5.6623  -6.582535      8.419847 
1 1 1 -12 -29 6  o 217.820 5.2229  5813.06    276.043  5964.65    395.621  5669.24    385.350  219.546 7.4266  214.045 7.4197  5.501877       10.49792 
1 1 1 -12 -29 7  o 74.876  3.8429  685.324    69.583   644.813    101.615  721.093    95.482   72.261  5.8455  76.582  5.1687  -4.320976      7.802910 
1 1 1 -12 -29 8  o 109.749 3.9284  1468.35    104.612  1564.38    151.988  1381.89    144.207  113.013 5.5427  106.058 5.6238  6.954773       7.896129 
1 1 1 -12 -29 9  o 60.739  4.0260  451.652    58.998   408.406    85.645   490.707    81.389   57.365  6.2544  63.111  5.3658  -5.745766      8.240732 
1 1 1 -12 -29 10 o 157.854 4.3782  3038.93    167.691  2930.63    241.383  3139.95    233.134  154.547 6.4370  160.089 6.0018  -5.541580      8.800940 
1 1 1 -12 -29 11 o 94.261  3.8274  1082.04    87.538   1048.65    127.040  1112.22    120.791  92.412  5.6933  95.267  5.2457  -2.854630      7.741567 
1 1 1 -12 -29 12 o 140.658 4.1394  2410.46    141.275  2390.65    203.069  2429.05    196.671  139.756 5.9884  140.922 5.7517  -1.165863      8.303206 
1 1 1 -12 -29 13 o 152.474 6.1630  2846.05    228.009  2846.05    228.009  0.0000     0.0000   152.474 6.1630  ?       ?       0.000000       6.163013 
1 1 1 -12 -29 14 o 90.216  5.5655  998.171    121.235  998.171    121.235  0.0000     0.0000   90.216  5.5655  ?       ?       0.000000       5.565543 
1 1 1 -12 -29 15 o 103.769 8.9245  1339.02    222.520  1339.02    222.520  0.0000     0.0000   103.769 8.9245  ?       ?       0.000000       8.924457 
1 1 1 -12 -29 16 o 78.998  5.6544  766.265    107.668  663.984    176.658  826.711    135.806  72.455  10.342  81.838  6.9035  -9.383232      12.43443 
1 1 1 -12 -29 17 o 87.058  5.3743  928.721    112.971  846.525    185.936  976.820    142.236  82.219  9.4948  89.068  6.6289  -6.848755      11.57986 
1 1 1 -12 -29 18 o 100.203 5.4089  1229.28    131.021  1263.37    210.431  1207.69    167.435  100.881 8.6813  99.012  7.0148  1.869339       11.16124 
1 1 1 -12 -29 19 o 28.115  7.3775  100.522    50.960   27.875     110.518  120.139    57.429   26.126  10.774  30.684  7.7202  -4.558266      13.25447 
1 1 1 -12 -29 20 o 65.210  3.5554  518.794    56.044   593.212    93.109   476.513    70.181   69.480  5.5697  62.355  4.6725  7.124474       7.270111 
1 1 1 -12 -29 21 o 67.934  3.5235  562.859    57.880   628.032    95.348   524.828    72.835   71.507  5.5386  65.465  4.6149  6.042625       7.209227 
1 1 1 -12 -29 22 o 23.579  5.6822  70.621     32.126   154.956    63.031   41.024     37.341   34.858  7.6613  19.205  6.6141  15.65252       10.12137 
1 1 1 -12 -29 23 o 95.217  3.5604  1102.90    82.259   1218.82    129.816  1025.14    106.330  99.780  5.3818  91.573  4.8022  8.206673       7.212844 
1 1 1 -12 -29 24 o 87.361  3.6449  928.573    77.262   853.859    125.549  974.115    98.021   83.312  6.2564  89.294  4.5391  -5.981354      7.729518 
1 1 1 -12 -29 25 o 77.588  4.6219  736.329    86.617   0.0000     0.0000   736.329    86.617   ?       ?       77.588  4.6219  0.000000       4.621894 
1 1 1 -12 -29 26 o 91.281  4.6919  1018.50    103.567  0.0000     0.0000   1018.50    103.567  ?       ?       91.281  4.6919  0.000000       4.691880 
1 1 1 -12 -29 27 o 87.139  6.4750  935.068    135.926  0.0000     0.0000   935.068    135.926  ?       ?       87.139  6.4750  0.000000       6.475008 
1 1 1 -12 -29 28 o 158.912 5.9583  3089.54    229.744  3329.40    349.573  2907.16    304.821  163.927 8.8211  153.363 8.2214  10.56404       12.05832 
1 1 1 -12 -29 29 o 125.503 5.3238  1924.29    162.122  1988.53    246.954  1875.64    214.921  126.767 8.0707  123.347 7.2124  3.419868       10.82384 
1 1 1 -12 -29 30 o 85.636  4.9698  898.349    102.822  980.220    161.639  842.703    133.260  88.925  7.5632  82.602  6.7068  6.322899       10.10855 
1 1 1 -12 -29 31 o 158.140 4.2056  3048.66    161.374  3317.33    239.924  2826.70    218.074  164.550 6.0091  151.918 5.9160  12.63228       8.432621 
1 1 1 -12 -29 32 o 55.469  3.7499  376.497    50.173   423.461    80.897   347.139    63.961   58.521  5.7723  53.064  5.0276  5.456993       7.654829 
1 1 1 -12 -29 33 o 106.408 3.7150  1379.57    95.916   1302.65    147.905  1435.39    126.005  102.890 5.9498  108.386 4.7913  -5.496201      7.639151 
1 1 1 -12 -29 34 o 81.412  3.5698  807.530    70.518   842.220    111.417  784.347    91.082   82.707  5.5847  79.973  4.7147  2.733719       7.308675 
1 1 1 -12 -29 35 o 212.134 5.0857  5510.36    261.771  5322.11    383.976  5673.83    357.809  207.284 7.6344  214.440 6.8767  -7.155701      10.27487 
1 1 1 -12 -29 36 o 129.092 3.9791  2034.26    124.637  1941.68    188.557  2106.09    166.099  125.575 6.1884  131.061 5.2231  -5.486031      8.097926 
1 1 1 -12 -29 37 o 132.397 4.0227  2141.16    129.228  2032.13    195.817  2225.29    172.003  128.355 6.2874  134.648 5.2647  -6.292511      8.200524 
1 1 1 -12 -29 38 o 26.246  5.9036  88.179     36.685   72.755     59.900   97.437     46.406   24.830  8.3801  27.511  6.9496  -2.681213      10.88679 
1 1 1 -12 -29 39 o 149.512 4.1895  2735.61    151.986  2954.50    229.983  2565.90    202.509  154.619 6.1301  144.237 5.7864  10.38254       8.429717 
1 1 1 -12 -29 40 o 84.554  3.7350  873.857    76.628   870.065    120.826  876.409    99.109   83.681  5.9903  84.325  4.8646  -0.6432037     7.716725 
1 1 1 -12 -29 41 o 17.522  6.3793  31.554     35.156   4.9096     60.854   44.901     43.070   18.452  7.8269  20.121  7.0927  -1.669106      10.56248 
1 1 1 -12 -29 42 o 43.226  4.3622  231.597    45.126   280.814    77.087   205.939    55.660   46.943  6.9802  40.383  5.8508  6.560291       9.107999 
1 1 1 -12 -29 43 o 18.213  7.1581  25.527     46.300   127.042    81.360   -23.0943   56.306   31.296  9.7056  15.781  7.0817  15.51484       12.01455 
1 1 1 -12 -29 44 o 24.639  7.6361  76.839     50.372   82.796     87.636   73.901     61.556   27.383  10.056  24.855  8.4946  2.528473       13.16398 
1 1 1 -12 -29 45 o 35.710  7.0763  165.491    59.147   158.164    99.916   169.444    73.386   34.505  10.765  35.744  8.5720  -1.238903      13.76068 
1 1 1 -12 -29 46 o 33.203  5.4410  140.090    42.316   204.162    74.603   109.698    51.382   39.410  8.0732  28.935  7.3146  10.47496       10.89406 
1 1 1 -12 -29 47 o 66.467  4.0880  545.018    65.611   452.847    114.424  590.168    80.084   59.074  8.2042  68.958  4.8165  -9.883633      9.513567 
1 1 1 -12 -29 48 o 31.572  6.1519  128.591    45.434   221.481    87.083   93.850     53.257   40.680  9.0554  26.826  7.7480  13.85387       11.91774 
1 1 1 -12 -29 49 o 55.262  4.3871  378.791    58.341   531.806    107.157  314.326    69.554   64.571  6.9489  49.867  5.8601  14.70356       9.089976 
1 1 1 -12 -29 50 o 78.732  5.5655  776.334    105.636  1046.90    188.716  652.874    127.479  89.505  8.8034  71.265  7.4840  18.24028       11.55465 
1 1 1 -12 -29 51 o 90.128  5.6063  1018.38    121.994  1111.74    215.913  974.605    147.858  91.183  9.9189  87.360  7.0350  3.823235       12.16042 
1 1 1 -12 -29 52 o 48.717  4.8315  297.425    56.359   444.963    106.708  240.345    66.372   58.409  7.7183  43.159  6.5431  15.24998       10.11852 
1 1 1 -12 -29 53 o 45.317  5.0937  259.142    55.039   328.059    105.303  233.238    64.560   49.185  9.1605  42.468  6.4697  6.717587       11.21481 
1 1 1 -12 -29 54 o 14.261  6.0845  2.0069     37.155   -41.7761   84.154   12.608     41.410   18.402  8.4153  15.992  6.5950  2.410173       10.69161 
1 1 1 -12 -29 55 o 26.722  7.0200  95.318     46.106   154.965    91.207   74.844     53.436   33.229  10.271  24.114  7.9092  9.114431       12.96369 
1 1 1 -12 -29 56 o 70.371  4.3665  618.479    74.189   491.047    135.883  672.597    88.552   59.410  9.7658  73.063  5.0256  -13.65357      10.98306 
1 1 1 -12 -29 57 o 22.927  8.0208  65.187     55.015   21.908     122.174  76.195     61.616   24.943  10.840  24.476  8.4925  0.4666958      13.77052 
1 1 1 -12 -29 58 o 23.977  9.4487  58.790     80.876   124.130    123.301  9.4519     107.144  30.786  11.795  23.009  10.072  7.777430       15.51019 
1 1 1 -12 -29 59 o 45.265  12.782  324.550    146.556  324.550    146.556  0.0000     0.0000   45.265  12.782  ?       ?       0.000000       12.78231 
1 1 1 -12 -29 60 f 26.232  9.4552  88.608     76.950   195.276    152.048  51.881     89.220   35.760  13.227  23.998  9.7629  11.76277       16.43968 
1 1 1 -12 -29 61 o 48.722  6.1714  309.190    71.322   349.966    172.992  300.840    78.285   45.738  14.147  47.609  6.9845  -1.870953      15.77734 
1 1 1 -12 -29 62 o 42.990  9.3743  262.104    95.029   1370.97    337.093  166.372    99.046   89.646  16.089  33.716  10.744  55.92947       19.34625 
1 1 1 -12 -29 63 o 37.683  7.5118  192.814    66.273   183.725    152.559  194.928    73.578   35.031  13.191  37.481  8.3086  -2.450241      15.58958 
1 1 1 -12 -29 64 o 49.066  9.3533  341.301    107.289  -197.2134  337.838  401.704    113.146  30.210  14.668  53.578  9.0241  -23.36777      17.22193 
1 1 1 -12 -29 65 o 30.762  10.649  137.304    96.846   264.444    364.047  127.621    100.466  39.041  17.717  29.990  10.804  9.051874       20.75180 
1 1 1 -12 -28 1  o 137.396 4.2065  2308.65    140.237  2234.96    203.735  2375.00    193.324  134.544 6.2407  138.882 5.7369  -4.338104      8.476946 
1 1 1 -12 -28 2  o 34.494  4.9962  148.777    40.599   159.154    57.106   138.170    57.731   35.290  6.9163  32.747  7.4355  2.543346       10.15493 
1 1 1 -12 -28 3  o 86.586  3.7968  914.531    79.767   947.430    117.009  885.966    109.029  87.695  5.5272  84.838  5.3234  2.856384       7.673944 
1 1 1 -12 -28 4  o 26.362  5.7099  88.496     35.466   91.289     52.252   86.110     48.294   26.822  7.6527  26.041  7.3320  0.7815742      10.59820 
1 1 1 -12 -28 5  o 62.034  3.9533  471.069    59.195   440.210    86.567   498.169    81.126   59.589  6.0720  63.579  5.3072  -3.989861      8.064483 
1 1 1 -12 -28 6  o 147.041 4.2469  2637.04    151.521  2724.68    218.790  2556.28    210.045  149.059 6.0493  144.393 5.9952  4.665863       8.516812 
1 1 1 -12 -28 7  o 176.760 4.5943  3812.40    197.048  3737.37    283.391  3882.63    274.172  174.452 6.6950  177.917 6.3510  -3.465637      9.228083 
1 1 1 -12 -28 8  o 67.939  3.8588  563.888    63.349   556.494    91.691   570.640    87.624   67.219  5.6748  68.131  5.3434  -0.9117813     7.794569 
1 1 1 -12 -28 9  o 107.017 3.8483  1394.37    99.928   1350.21    145.227  1434.08    137.712  104.931 5.7256  108.367 5.2373  -3.435493      7.759675 
1 1 1 -12 -28 10 o 82.165  3.7976  821.735    75.712   767.416    110.445  869.891    103.991  79.023  5.8006  84.274  5.1097  -5.251534      7.730228 
1 1 1 -12 -28 11 o 103.140 3.8306  1294.72    95.865   1275.50    138.794  1312.26    132.567  102.030 5.6281  103.552 5.2938  -1.522057      7.726559 
1 1 1 -12 -28 12 o 138.903 5.9377  2358.17    200.123  2358.17    200.123  0.0000     0.0000   138.903 5.9377  ?       ?       0.000000       5.937746 
1 1 1 -12 -28 13 o 100.225 5.5767  1230.16    135.081  1230.16    135.081  0.0000     0.0000   100.225 5.5767  ?       ?       0.000000       5.576689 
1 1 1 -12 -28 14 o 83.854  4.5364  859.050    91.956   779.057    112.207  1022.65    160.465  79.653  5.8466  91.040  7.3262  -11.38686      9.373123 
1 1 1 -12 -28 15 o 93.549  3.8427  1064.79    87.225   1179.69    126.913  961.939    120.079  98.191  5.3470  88.597  5.6149  9.594421       7.753512 
1 1 1 -12 -28 16 o 106.775 5.4411  1394.61    140.501  1178.89    222.511  1537.66    181.191  97.282  9.5497  111.901 6.7042  -14.61906      11.66805 
1 1 1 -12 -28 17 o 36.531  7.1641  169.034    61.233   221.073    123.548  152.089    70.502   41.572  11.735  34.496  8.4823  7.076176       14.47957 
1 1 1 -12 -28 18 o 203.710 6.8844  5079.57    340.285  5837.30    499.766  4424.65    464.625  217.517 9.4691  188.877 10.176  28.63976       13.89998 
1 1 1 -12 -28 19 o 87.709  5.3741  941.824    113.818  1126.96    186.686  832.295    143.592  95.454  8.1381  82.106  7.2832  13.34853       10.92126 
1 1 1 -12 -28 20 f 83.003  5.3947  843.883    108.058  891.634    179.904  816.933    135.154  84.659  8.8907  81.411  6.9072  3.248444       11.25849 
1 1 1 -12 -28 21 o 92.425  3.5345  1038.79    79.265   1356.89    125.826  829.501    102.063  105.517 4.9145  82.327  5.1349  23.19032       7.107765 
1 1 1 -12 -28 22 o 198.064 4.6013  4778.31    221.130  5735.46    324.755  3950.93    301.939  216.651 6.1778  179.650 6.9267  37.00082       9.281411 
1 1 1 -12 -28 23 o 44.901  3.8942  247.130    42.006   156.105    74.440   289.657    50.882   34.943  8.7883  48.581  4.3630  -13.63830      9.811717 
1 1 1 -12 -28 24 o 107.925 7.1216  1432.91    185.445  0.0000     0.0000   1432.91    185.445  ?       ?       107.925 7.1216  0.000000       7.121602 
1 1 1 -12 -28 25 o 93.610  6.9200  1078.71    156.064  0.0000     0.0000   1078.71    156.064  ?       ?       93.610  6.9200  0.000000       6.920039 
1 1 1 -12 -28 26 o 86.318  4.6688  910.468    97.421   0.0000     0.0000   910.468    97.421   ?       ?       86.318  4.6688  0.000000       4.668819 
1 1 1 -12 -28 27 o 97.051  3.7088  1145.92    87.336   1178.02    139.929  1125.43    111.783  98.016  5.9113  96.090  4.7944  1.926193       7.611145 
1 1 1 -12 -28 28 o 135.147 5.4680  2229.79    179.309  2379.49    272.443  2115.39    238.162  138.861 8.1213  131.063 7.5206  7.798599       11.06863 
1 1 1 -12 -28 29 o 93.051  5.0104  1059.20    112.709  1113.32    175.421  1021.15    147.086  94.888  7.6851  91.061  6.7041  3.827835       10.19834 
1 1 1 -12 -28 30 o 74.194  4.9797  674.558    89.126   636.130    143.262  698.821    113.838  71.366  8.4365  75.303  6.2878  -3.937744      10.52192 
1 1 1 -12 -28 31 o 106.394 5.2037  1382.18    134.337  1370.35    210.347  1390.33    174.577  105.104 8.3160  106.255 6.8071  -1.151001      10.74673 
1 1 1 -12 -28 32 o 64.338  3.6557  505.501    56.834   595.051    90.718   447.645    72.918   69.570  5.4168  60.346  5.0256  9.224354       7.389089 
1 1 1 -12 -28 33 o 166.123 4.3123  3364.97    173.820  3601.43    258.429  3169.63    234.890  171.397 6.2140  160.846 6.0185  10.55130       8.650819 
1 1 1 -12 -28 34 o 137.500 4.0140  2304.55    133.918  2365.15    201.262  2256.39    179.396  138.900 5.9717  135.787 5.4449  3.112610       8.081311 
1 1 1 -12 -28 35 o 54.634  3.9283  365.761    51.729   327.660    82.753   390.197    66.272   51.158  6.8377  56.289  4.9012  -5.130928      8.412862 
1 1 1 -12 -28 36 o 27.619  5.7261  96.979     37.114   72.771     61.727   110.686    46.447   25.049  8.5067  29.411  6.6629  -4.361980      10.80545 
1 1 1 -12 -28 37 o 86.758  3.7003  917.879    77.895   925.186    121.353  912.759    101.585  86.590  5.8095  86.219  4.8758  0.3714981      7.584479 
1 1 1 -12 -28 38 o 25.261  7.0509  81.295     44.865   18.672     61.984   150.206    65.023   19.795  8.1048  34.081  8.0000  -14.28687      11.38807 
1 1 1 -12 -28 39 o 136.313 4.0847  2271.14    135.101  2267.48    204.949  2273.96    179.661  135.536 6.2320  136.006 5.4442  -0.4692841     8.275075 
1 1 1 -12 -28 40 o 135.730 4.0845  2253.27    134.517  2251.39    205.237  2254.69    178.106  134.936 6.2685  135.356 5.4230  -0.4200287     8.288727 
1 1 1 -12 -28 41 o 124.686 3.9627  1901.86    119.887  1939.51    185.227  1874.71    157.273  125.209 6.0969  123.408 5.2523  1.800941       8.047241 
1 1 1 -12 -28 42 o 44.336  4.3446  243.288    46.138   257.625    78.576   235.743    56.998   44.820  7.4895  43.368  5.5435  1.452312       9.317894 
1 1 1 -12 -28 43 o 18.387  7.2049  26.373     46.785   181.595    83.055   -45.7721   56.623   37.022  9.2674  14.534  6.7381  22.48729       11.45799 
1 1 1 -12 -28 44 o 37.194  6.7462  177.730    58.641   211.775    95.218   156.927    74.431   39.770  9.9047  34.446  8.8562  5.324379       13.28671 
1 1 1 -12 -28 45 o 15.023  6.4919  -3.2699    43.324   2.2065     79.445   -5.5879    51.686   20.599  8.8453  16.233  7.0526  4.366039       11.31277 
1 1 1 -12 -28 46 o 28.413  5.8211  103.813    38.782   24.890     71.914   136.179    46.053   21.262  8.7206  32.588  6.0469  -11.32518      10.61198 
1 1 1 -12 -28 47 o 84.418  3.9805  874.913    81.534   884.399    136.366  869.635    101.718  83.698  6.7728  83.726  5.0303  -0.2843475E-01 8.436508 
1 1 1 -12 -28 48 o 36.289  5.4528  166.809    46.529   111.039    89.565   187.423    54.453   29.855  10.246  38.335  6.0552  -8.480322      11.90132 
1 1 1 -12 -28 49 o 29.688  6.3238  114.282    44.158   130.566    87.395   108.700    51.170   31.567  10.096  28.774  7.3135  2.792377       12.46659 
1 1 1 -12 -28 50 o 40.861  6.9653  216.020    66.582   194.018    131.931  223.538    77.125   37.671  12.431  41.209  8.0017  -3.537643      14.78374 
1 1 1 -12 -28 51 o 99.925  5.6452  1249.72    136.312  1410.27    236.906  1170.26    166.664  103.319 9.5583  95.755  7.2265  7.563797       11.98259 
1 1 1 -12 -28 52 f 90.902  4.5418  1022.42    100.176  1008.87    220.709  1025.94    112.423  86.033  10.812  90.682  5.1304  -4.649315      11.96714 
1 1 1 -12 -28 53 o 80.004  4.1576  792.502    80.431   816.229    140.910  781.036    97.956   79.514  7.3881  79.005  5.1378  0.5086517      8.998935 
1 1 1 -12 -28 54 o 18.555  6.9172  35.339     41.747   53.721     84.081   29.325     48.093   24.264  9.6111  18.613  7.3018  5.650457       12.07014 
1 1 1 -12 -28 55 o 56.432  4.5874  398.553    62.270   415.731    118.067  391.934    73.292   55.315  9.1142  55.588  5.5063  -0.2725906     10.64834 
1 1 1 -12 -28 56 o 83.423  4.2587  866.221    85.917   852.175    152.498  872.752    103.992  80.311  7.9292  83.242  5.1743  -2.930779      9.468168 
1 1 1 -12 -28 57 o 44.262  6.2630  254.611    65.386   227.704    134.998  262.858    74.737   38.746  12.564  44.555  7.1553  -5.809750      14.45884 
1 1 1 -12 -28 58 o 88.207  6.0212  997.853    128.098  859.585    185.495  1123.91    177.112  78.290  9.9927  91.754  8.0363  -13.46455      12.82328 
1 1 1 -12 -28 59 o 62.748  5.3063  501.116    80.033   395.065    161.526  535.622    92.138   49.943  13.149  64.504  5.9541  -14.56117      14.43402 
1 1 1 -12 -28 60 o 41.215  8.7786  236.921    85.100   300.740    166.621  214.399    98.983   42.765  13.963  38.261  10.393  4.504261       17.40637 
1 1 1 -12 -28 61 o 37.780  9.0445  201.271    81.810   152.381    164.512  217.333    94.296   33.606  13.402  38.770  9.9683  -5.164070      16.70263 
1 1 1 -12 -28 62 o 53.337  5.8575  366.633    74.557   421.933    163.454  352.104    83.780   51.824  13.016  51.721  6.8441  0.1037216      14.70597 
1 1 1 -12 -28 63 o 43.887  6.7320  254.351    69.398   220.099    155.697  262.843    77.526   37.532  13.458  44.218  7.4933  -6.686207      15.40336 
1 1 1 -12 -28 64 o 44.088  10.497  285.819    110.682  95.607     339.230  308.480    117.090  35.886  16.586  45.662  10.747  -9.775806      19.76318 
1 1 1 -12 -28 65 o 22.262  9.3646  32.009     85.954   -123.8643  330.319  43.330     89.020   30.909  14.883  23.257  9.6370  7.651587       17.73037 
1 1 1 -12 -27 1  o 150.561 4.3477  2769.60    158.831  2560.06    229.913  2960.90    219.677  144.105 6.5754  155.240 5.8320  -11.13480      8.789084 
1 1 1 -12 -27 2  o 91.819  3.8130  1027.87    84.950   1035.82    124.221  1020.89    116.431  91.746  5.6070  91.152  5.2870  0.5946121      7.706568 
1 1 1 -12 -27 3  o 94.860  3.7925  1096.55    87.292   1110.83    128.410  1084.28    119.024  95.069  5.5913  93.996  5.2395  1.073090       7.662544 
1 1 1 -12 -27 4  o 71.618  3.7976  626.539    65.757   605.062    97.100   644.732    89.369   70.062  5.7629  72.454  5.1163  -2.392525      7.706356 
1 1 1 -12 -27 5  o 178.221 4.6324  3874.94    200.321  3988.68    287.992  3768.32    278.823  180.309 6.5826  175.266 6.5564  5.043625       9.290740 
1 1 1 -12 -27 6  o 116.009 3.9054  1638.74    109.932  1656.34    159.692  1622.89    151.561  116.397 5.6543  115.252 5.4197  1.145821       7.832243 
1 1 1 -12 -27 7  o 156.586 4.3562  2987.40    165.511  2879.77    238.323  3087.68    230.034  153.359 6.4046  158.896 5.9664  -5.536087      8.753126 
1 1 1 -12 -27 8  o 65.743  3.8714  527.852    61.484   455.335    90.307   590.510    83.944   60.703  6.2190  69.402  5.0187  -8.698685      7.991450 
1 1 1 -12 -27 9  o 42.585  4.5770  223.470    46.551   249.521    67.694   200.098    64.118   44.718  6.4232  39.869  6.8763  4.849392       9.409643 
1 1 1 -12 -27 10 o 34.113  5.1521  145.058    41.317   72.189     60.210   209.908    56.801   25.006  8.4019  41.051  5.8697  -16.04474      10.24918 
1 1 1 -12 -27 11 o 80.760  5.6405  799.867    109.835  799.867    109.835  0.0000     0.0000   80.760  5.6405  ?       ?       0.000000       5.640474 
1 1 1 -12 -27 12 o 241.362 7.8106  7147.23    457.420  7147.23    457.420  0.0000     0.0000   241.362 7.8106  ?       ?       0.000000       7.810565 
1 1 1 -12 -27 13 o 133.115 4.7591  2158.55    153.717  2009.44    187.634  2462.86    268.053  128.277 6.0283  141.487 7.8386  -13.20917      9.888632 
1 1 1 -12 -27 14 o 41.872  4.7514  216.269    47.418   250.113    68.622   185.343    65.599   44.781  6.5059  38.279  7.3296  6.501728       9.800452 
1 1 1 -12 -27 15 o 78.098  3.7024  741.748    70.160   733.443    105.158  748.411    94.188   77.335  5.6429  78.215  4.9889  -0.8799896     7.532095 
1 1 1 -12 -27 16 o 65.388  3.5016  521.290    55.354   493.418    92.141   537.029    69.241   63.286  6.0750  66.285  4.3289  -2.998402      7.459558 
1 1 1 -12 -27 17 o 228.548 6.0516  6376.87    335.595  6739.46    416.614  5706.78    566.353  234.618 7.3183  214.442 10.921  20.17577       13.14610 
1 1 1 -12 -27 18 o 75.680  5.4156  701.856    98.791   971.372    166.627  555.764    122.678  88.685  7.8236  66.919  7.6955  21.76584       10.97402 
1 1 1 -12 -27 19 o 207.166 6.9812  5249.91    350.922  5614.27    512.555  4928.42    481.461  213.350 9.9011  199.885 9.9270  13.46451       14.02061 
1 1 1 -12 -27 20 o 205.618 6.9077  5170.84    344.633  5806.21    503.334  4610.08    472.860  217.089 9.5555  193.006 10.133  24.08272       13.92758 
1 1 1 -12 -27 21 o 76.382  5.3859  714.778    99.179   931.706    164.726  591.423    124.217  86.826  7.9055  69.090  7.5317  17.73575       10.91898 
1 1 1 -12 -27 22 o 215.839 4.9194  5675.28    257.634  6349.01    375.770  5077.65    353.909  227.865 6.7964  203.689 7.1608  24.17535       9.872597 
1 1 1 -12 -27 23 o 66.268  4.4502  536.974    71.141   0.0000     0.0000   536.974    71.141   ?       ?       66.268  4.4502  0.000000       4.450212 
1 1 1 -12 -27 24 o 86.090  4.5978  905.022    95.695   0.0000     0.0000   905.022    95.695   ?       ?       86.090  4.5978  0.000000       4.597763 
1 1 1 -12 -27 25 o 52.391  4.6777  336.920    58.838   0.0000     0.0000   336.920    58.838   ?       ?       52.391  4.6777  0.000000       4.677669 
1 1 1 -12 -27 26 o 125.352 3.8778  1911.46    117.946  2209.82    183.664  1702.06    153.865  134.580 5.6244  118.141 5.3676  16.43924       7.774643 
1 1 1 -12 -27 27 o 226.891 5.1641  6276.12    284.299  6604.81    413.026  5980.17    391.923  232.182 7.3313  220.937 7.3109  11.24570       10.35362 
1 1 1 -12 -27 28 o 72.788  3.5224  644.263    62.210   737.334    98.378   582.247    80.305   77.581  5.2571  68.958  4.8299  8.623085       7.139023 
1 1 1 -12 -27 29 o 30.379  7.2103  117.599    52.352   81.954     87.381   137.557    65.386   27.978  10.077  32.822  8.2263  -4.843987      13.00814 
1 1 1 -12 -27 30 o 33.988  6.9443  146.577    55.333   81.395     92.824   182.507    68.917   28.336  10.358  37.883  7.7586  -9.546347      12.94187 
1 1 1 -12 -27 31 o 69.126  5.2127  586.308    86.788   550.206    142.674  607.514    109.345  66.172  9.1291  70.158  6.4970  -3.986206      11.20496 
1 1 1 -12 -27 32 o 151.886 5.9449  2820.96    219.091  2550.87    332.078  3029.15    291.547  143.225 9.6113  156.986 7.6539  -13.76067      12.28657 
1 1 1 -12 -27 33 o 112.414 3.7589  1538.30    102.528  1624.64    155.528  1471.94    136.351  115.295 5.5595  109.805 5.1177  5.490189       7.556331 
1 1 1 -12 -27 34 o 173.611 4.5117  3675.93    190.054  3576.73    281.173  3759.38    257.889  170.689 6.7890  175.200 6.0664  -4.511871      9.104508 
1 1 1 -12 -27 35 o 69.052  3.8274  582.627    63.876   439.854    99.139   683.966    83.523   59.408  7.0128  74.718  4.6298  -15.31037      8.403233 
1 1 1 -12 -27 36 o 94.659  3.7717  1091.83    86.628   864.473    133.542  1257.01    113.827  83.595  6.6384  101.456 4.6238  -17.86086      8.089970 
1 1 1 -12 -27 37 f 97.879  3.7296  1167.74    88.577   1104.77    136.401  1213.66    116.479  94.679  5.9680  99.630  4.8183  -4.950691      7.670248 
1 1 1 -12 -27 38 o 143.172 4.9013  2508.98    170.269  2542.02    216.753  2455.73    275.156  143.727 6.2153  140.356 8.1141  3.371780       10.22100 
1 1 1 -12 -27 39 o 61.310  3.8228  460.486    56.586   473.298    92.280   452.765    71.634   61.670  6.2534  60.600  4.9140  1.070438       7.953175 
1 1 1 -12 -27 40 f 35.296  4.8250  155.449    40.241   168.173    70.073   149.188    49.153   36.012  8.2028  34.287  6.1334  1.724838       10.24226 
1 1 1 -12 -27 41 o 28.282  5.6326  101.892    37.295   139.651    66.525   84.585     45.037   32.757  8.3461  25.683  7.0245  7.074421       10.90874 
1 1 1 -12 -27 42 f 50.883  4.1078  318.929    50.284   342.173    84.929   306.382    62.395   52.036  6.8964  49.624  5.2623  2.412418       8.674812 
1 1 1 -12 -27 43 o 51.129  4.2173  322.500    51.852   192.545    86.538   395.291    64.766   38.155  9.4070  56.520  4.7671  -18.36448      10.54593 
1 1 1 -12 -27 44 o 27.122  7.6792  95.045     52.823   116.290    90.071   83.908     65.215   30.598  10.276  26.227  8.7440  4.370930       13.49300 
1 1 1 -12 -27 45 o 24.788  7.7217  77.452     51.433   89.362     89.281   71.536     62.924   28.106  10.176  24.724  8.5819  3.382162       13.31189 
1 1 1 -12 -27 46 o 31.630  5.8439  127.927    43.198   138.238    96.686   125.355    48.285   32.701  10.635  31.125  6.5983  1.575912       12.51537 
1 1 1 -12 -27 47 o 38.291  5.2514  184.579    47.506   237.127    90.174   164.391    55.891   42.259  9.0659  35.705  6.6973  6.554031       11.27143 
1 1 1 -12 -27 48 o 63.070  4.1614  490.866    63.326   539.537    110.346  466.964    77.327   65.135  7.0968  61.201  5.2583  3.933830       8.832605 
1 1 1 -12 -27 49 o 59.043  4.3559  431.356    61.963   567.040    112.601  372.422    74.210   66.764  7.0578  54.451  5.7014  12.31293       9.072988 
1 1 1 -12 -27 50 o 45.362  6.6540  263.414    71.062   96.458     138.144  323.490    82.867   31.290  12.343  50.231  6.9883  -18.94048      14.18411 
1 1 1 -12 -27 51 f 23.445  7.9679  66.508     54.156   -140.4165  116.791  123.187    61.125   18.831  9.0106  30.472  8.1202  -11.64120      12.12967 
1 1 1 -12 -27 52 o 64.174  5.8923  519.413    90.725   608.497    163.516  479.792    109.050  67.026  10.391  60.932  7.5367  6.094418       12.83616 
1 1 1 -12 -27 53 o 41.973  5.3982  223.159    53.702   245.491    109.280  216.049    61.661   41.894  10.709  40.942  6.4179  0.9525452      12.48520 
1 1 1 -12 -27 54 o 14.286  6.1114  0.9749     37.669   -16.3332   88.944   4.7578     41.582   20.325  9.0249  15.308  6.4803  5.016616       11.11053 
1 1 1 -12 -27 55 o 47.797  5.0582  288.223    57.772   291.500    115.824  287.138    66.656   45.346  10.699  47.375  5.9284  -2.029236      12.23210 
1 1 1 -12 -27 56 o 88.376  4.2855  969.144    91.896   1060.48    163.187  926.730    111.204  90.127  7.5312  85.727  5.3733  4.400673       9.251550 
1 1 1 -12 -27 57 o 35.803  7.5012  172.292    63.079   152.825    141.676  177.106    70.447   33.636  12.701  35.995  8.2434  -2.359028      15.14187 
1 1 1 -12 -27 58 o 66.784  5.1250  564.046    82.415   567.704    166.915  562.866    94.773   62.354  11.454  66.247  5.9598  -3.892174      12.91207 
1 1 1 -12 -27 59 o 109.418 4.6898  1499.29    124.510  1675.65    228.944  1425.22    148.371  111.509 8.5262  105.669 5.8091  5.840752       10.31708 
1 1 1 -12 -27 60 o 41.839  8.8777  243.882    87.335   240.927    177.667  244.824    100.289  38.917  14.315  41.182  10.111  -2.264694      17.52548 
1 1 1 -12 -27 61 o 76.951  6.7966  772.268    125.600  861.263    224.655  731.803    151.486  75.293  12.752  73.335  8.6819  1.958054       15.42705 
1 1 1 -12 -27 62 o 61.094  5.4565  475.792    80.035   482.103    173.327  474.082    90.231   55.680  13.056  60.548  6.2307  -4.868320      14.46640 
1 1 1 -12 -27 63 o 17.659  7.5098  9.0678     56.272   44.233     137.395  1.9802     61.683   27.004  11.615  17.843  7.7283  9.161007       13.95125 
1 1 1 -12 -27 64 o 39.695  10.882  234.338    107.941  79.402     336.868  252.065    113.949  35.749  16.524  41.007  11.156  -5.258041      19.93749 
1 1 1 -12 -27 65 o 23.727  9.9085  42.352     95.159   -62.5485   334.585  51.583     99.257   32.327  15.408  24.609  10.185  7.718624       18.47024 
1 1 1 -12 -26 1  o 88.405  3.7766  952.302    81.010   942.062    117.050  961.715    112.232  87.540  5.5392  88.510  5.2493  -0.9705734     7.631392 
1 1 1 -12 -26 2  o 88.554  3.7512  955.084    80.602   896.925    117.030  1007.57    111.174  85.418  5.6789  90.670  5.0736  -5.251877      7.615232 
1 1 1 -12 -26 3  o 151.349 4.3053  2792.00    158.105  2717.53    228.173  2860.78    219.281  148.919 6.3147  152.887 5.9111  -3.968567      8.649596 
1 1 1 -12 -26 4  o 89.371  3.7540  972.166    81.406   1012.79    119.129  936.583    111.500  90.899  5.4260  87.424  5.2811  3.474709       7.571745 
1 1 1 -12 -26 5  o 144.394 4.1862  2539.06    146.668  2420.50    211.917  2648.05    203.197  140.665 6.2089  147.226 5.6881  -6.561020      8.420527 
1 1 1 -12 -26 6  o 95.237  3.7532  1103.53    86.729   1008.01    126.218  1188.98    119.375  90.666  5.7674  98.620  5.0051  -7.954582      7.636311 
1 1 1 -12 -26 7  o 103.714 3.8055  1308.65    95.767   1305.28    139.419  1311.67    131.774  103.266 5.5850  103.571 5.2609  -0.3047943     7.672581 
1 1 1 -12 -26 8  o 255.267 5.7610  7953.99    356.829  7847.54    508.718  8057.08    500.644  252.727 8.2959  256.171 8.0545  -3.444199      11.56269 
1 1 1 -12 -26 9  o 113.469 3.8408  1566.15    105.747  1635.19    153.497  1503.77    145.890  115.788 5.4635  111.043 5.4147  4.745041       7.692122 
1 1 1 -12 -26 10 o 138.489 5.8549  2340.68    196.744  2340.68    196.744  0.0000     0.0000   138.489 5.8549  ?       ?       0.000000       5.854912 
1 1 1 -12 -26 11 o 136.455 5.8409  2272.03    193.389  2272.03    193.389  0.0000     0.0000   136.455 5.8409  ?       ?       0.000000       5.840861 
1 1 1 -12 -26 12 o 265.286 6.8265  8604.15    439.421  8351.66    537.072  9115.44    764.256  260.820 8.4865  271.090 11.619  -10.26999      14.38808 
1 1 1 -12 -26 13 o 264.999 5.8865  8567.82    378.503  8453.29    538.149  8679.95    532.464  262.440 8.4510  266.008 8.2496  -3.567322      11.80995 
1 1 1 -12 -26 14 o 209.189 4.9817  5330.20    252.859  5604.85    361.060  5065.85    354.230  214.108 6.9500  203.501 7.1739  10.60663       9.988331 
1 1 1 -12 -26 15 o 113.715 3.6402  1572.11    100.440  1662.03    153.122  1504.20    133.067  116.773 5.4042  111.134 4.9347  5.639748       7.318238 
1 1 1 -12 -26 16 o 52.685  3.6044  339.010    45.800   431.063    77.625   289.852    56.726   59.220  5.4638  48.545  4.8820  10.67459       7.327152 
1 1 1 -12 -26 17 o 93.298  3.5015  1058.07    79.267   1015.89    123.559  1087.57    103.334  91.111  5.6164  94.530  4.5051  -3.419121      7.200051 
1 1 1 -12 -26 18 o 172.643 5.1505  3631.05    215.755  3586.62    269.994  3709.54    358.881  171.374 6.4930  173.878 8.5063  -2.503479      10.70125 
1 1 1 -12 -26 19 o 253.722 7.9116  7886.50    487.066  9070.21    704.091  6800.22    674.492  271.006 10.707  233.879 11.925  37.12680       16.02687 
1 1 1 -12 -26 20 o 178.188 6.3870  3876.66    276.148  4046.00    406.325  3731.29    376.448  181.175 9.2741  174.065 8.9433  7.109756       12.88376 
1 1 1 -12 -26 21 o 89.928  5.2633  988.723    114.345  1034.50    182.835  959.317    146.539  91.479  8.3282  88.332  6.8916  3.147430       10.80991 
1 1 1 -12 -26 22 o 48.372  7.2661  292.438    82.647   0.0000     0.0000   292.438    82.647   ?       ?       48.372  7.2661  0.000000       7.266112 
1 1 1 -12 -26 23 o 113.213 4.8513  1560.79    133.266  0.0000     0.0000   1560.79    133.266  ?       ?       113.213 4.8513  0.000000       4.851347 
1 1 1 -12 -26 24 o 195.857 6.4446  4684.83    306.266  0.0000     0.0000   4684.83    306.266  ?       ?       195.857 6.4446  0.000000       6.444593 
1 1 1 -12 -26 25 o 254.797 5.5313  7915.40    341.966  8965.23    495.423  6960.02    472.611  270.593 7.5456  238.229 8.1761  32.36353       11.12586 
1 1 1 -12 -26 26 o 241.160 5.3633  7089.26    313.833  7376.33    454.285  6827.17    434.060  245.402 7.6293  236.106 7.5767  9.296310       10.75233 
1 1 1 -12 -26 27 o 128.303 3.8249  2002.04    119.075  2116.74    178.201  1909.50    160.053  131.745 5.5746  125.164 5.2701  6.580841       7.671354 
1 1 1 -12 -26 28 o 118.888 3.7441  1718.92    108.007  1785.20    163.049  1667.10    144.175  120.983 5.5543  116.963 5.0802  4.019737       7.527174 
1 1 1 -12 -26 29 o 103.424 3.6263  1300.74    91.001   1474.46    139.484  1172.00    120.076  109.976 5.2271  97.934  5.0705  12.04188       7.282334 
1 1 1 -12 -26 30 o 244.269 7.8531  7320.93    465.453  7128.31    680.553  7490.21    638.004  239.396 11.716  245.903 10.693  -6.507660      15.86204 
1 1 1 -12 -26 31 o 95.633  5.1943  1118.54    120.078  1231.24    186.185  1038.28    157.122  99.878  7.7432  91.799  7.1095  8.079147       10.51196 
1 1 1 -12 -26 32 o 92.526  5.1592  1047.40    115.366  1298.25    179.440  870.655    150.621  102.654 7.2507  83.921  7.4752  18.73328       10.41399 
1 1 1 -12 -26 33 o 137.085 4.0204  2287.79    133.730  2300.11    200.436  2277.90    179.531  137.159 6.0226  136.596 5.4167  0.5628662      8.100171 
1 1 1 -12 -26 34 o 82.793  3.6620  834.187    73.566   824.974    114.395  840.683    96.065   81.946  5.7905  82.887  4.7970  -0.9411926     7.519417 
1 1 1 -12 -26 35 o 157.869 4.2601  3037.38    163.185  3203.33    243.565  2902.21    219.815  161.713 6.2073  154.000 5.8827  7.713211       8.552002 
1 1 1 -12 -26 36 o 90.879  3.7456  1005.86    82.593   862.350    128.046  1108.11    108.084  83.611  6.3593  95.284  4.6750  -11.67340      7.892753 
1 1 1 -12 -26 37 o 82.164  3.6916  822.417    73.597   709.760    115.047  900.456    95.753   75.777  6.3146  85.753  4.6190  -9.975334      7.823587 
1 1 1 -12 -26 38 o 106.508 3.7965  1382.88    98.113   1389.60    152.007  1378.08    128.454  106.242 5.9201  106.138 4.9879  0.1045761      7.741219 
1 1 1 -12 -26 39 o 57.194  3.9169  400.951    54.030   401.755    88.523   400.474    68.208   56.738  6.5505  56.981  4.9834  -0.2425385     8.230639 
1 1 1 -12 -26 40 o 117.393 3.8822  1682.24    110.583  1721.56    170.862  1653.90    145.062  118.117 5.9812  116.131 5.1481  1.985909       7.891610 
1 1 1 -12 -26 41 o 66.179  3.8345  536.620    61.310   439.875    100.632  593.727    77.316   59.135  7.1593  69.475  4.6127  -10.34060      8.516568 
1 1 1 -12 -26 42 o 14.403  5.8886  9.5069     32.661   15.502     59.851   6.9642     38.977   19.197  7.9239  15.262  6.3547  3.935161       10.15734 
1 1 1 -12 -26 43 o 86.339  3.7610  911.247    78.791   976.043    127.006  870.707    100.459  88.671  5.9374  84.025  4.9492  4.645866       7.729654 
1 1 1 -12 -26 44 o 123.861 5.7026  1896.47    171.384  1967.30    257.326  1840.00    229.758  124.450 8.5740  120.758 7.8846  3.691521       11.64821 
1 1 1 -12 -26 45 o 83.146  5.5020  858.058    110.374  797.044    169.641  902.847    145.346  78.631  9.0570  84.658  7.1424  -6.026970      11.53445 
1 1 1 -12 -26 46 o 17.533  7.0537  19.249     46.000   -1.1104    82.448   28.450     55.429   20.784  8.9685  19.666  7.7991  1.118279       11.88530 
1 1 1 -12 -26 47 o 78.704  4.0178  761.796    76.471   795.630    131.686  744.582    93.932   79.413  6.9028  77.513  5.0212  1.899300       8.535902 
1 1 1 -12 -26 48 o 53.492  4.4709  354.455    57.498   302.833    104.327  376.975    68.907   47.795  9.3309  54.973  5.2289  -7.178570      10.69614 
1 1 1 -12 -26 49 o 46.128  5.0576  265.990    55.679   266.314    103.186  265.856    66.133   44.528  9.8149  45.816  6.1006  -1.287994      11.55638 
1 1 1 -12 -26 50 o 60.277  4.3739  449.580    63.536   471.759    117.176  440.344    75.616   60.333  8.2181  59.381  5.3040  0.9520607      9.781070 
1 1 1 -12 -26 51 o 27.158  8.0860  96.008     57.251   66.387     120.890  104.572    65.003   28.341  11.423  28.330  8.6571  0.1066971E-01  14.33301 
1 1 1 -12 -26 52 o 19.980  7.7024  36.141     52.801   102.651    118.671  19.724     58.959   30.454  11.594  19.202  7.8882  11.25244       14.02329 
1 1 1 -12 -26 53 o 22.993  7.3140  66.868     45.915   308.730    90.360   -17.3154   53.310   48.492  7.9558  15.560  6.9430  32.93159       10.55934 
1 1 1 -12 -26 54 o 20.057  7.3207  43.687     46.338   119.895    96.367   20.767     52.849   30.503  10.619  18.431  7.5078  12.07246       13.00468 
1 1 1 -12 -26 55 o 51.627  4.8145  334.294    59.615   356.480    117.826  326.660    69.114   50.866  9.9029  50.693  5.7188  0.1724663      11.43558 
1 1 1 -12 -26 56 o 63.711  4.5667  507.078    70.128   576.175    133.612  480.805    82.388   65.678  8.5901  61.598  5.5726  4.079121       10.23934 
1 1 1 -12 -26 57 o 56.392  5.1952  402.113    70.286   458.491    126.394  376.874    84.568   57.851  9.3210  53.920  6.6018  3.931831       11.42207 
1 1 1 -12 -26 58 f 31.503  7.9591  135.495    60.861   222.417    145.499  117.061    67.004   38.302  13.060  29.220  8.7585  9.082140       15.72498 
1 1 1 -12 -26 59 o 30.554  7.9598  127.831    59.602   59.483     146.583  141.370    65.239   28.423  12.105  32.011  8.3221  -3.587831      14.68948 
1 1 1 -12 -26 60 o 16.292  7.3717  -24.4564   62.478   -70.8460   158.434  -15.9140   67.988   24.123  11.214  17.543  7.8334  6.580366       13.67867 
1 1 1 -12 -26 61 o 77.325  6.8244  778.724    126.726  725.489    230.689  801.733    151.659  67.097  14.586  77.318  8.2095  -10.22148      16.73754 
1 1 1 -12 -26 62 o 34.350  7.8743  161.003    64.228   156.368    164.656  161.835    69.753   34.158  13.475  34.203  8.4535  -0.4481888E-01 15.90727 
1 1 1 -12 -26 63 o 18.057  7.6045  12.965     56.788   -52.4527   150.798  23.775     61.300   24.142  11.122  19.467  8.0256  4.674461       13.71570 
1 1 1 -12 -26 64 o 30.223  11.007  123.341    104.682  134.653    330.973  122.083    110.347  37.159  16.875  30.286  11.255  6.873613       20.28369 
1 1 1 -12 -26 65 o 38.777  11.664  230.494    118.679  171.717    274.727  243.979    131.591  36.498  16.049  39.448  12.361  -2.950130      20.25743 
1 1 1 -12 -25 1  o 94.378  3.6963  1084.30    84.646   1104.79    122.771  1065.73    116.861  94.941  5.3512  93.272  5.1841  1.669693       7.450521 
1 1 1 -12 -25 2  o 13.223  5.4538  6.1228     28.325   -21.9135   37.710   42.416     42.905   12.596  5.7107  19.960  7.0744  -7.364242      9.091743 
1 1 1 -12 -25 3  o 124.241 3.9690  1878.87    119.649  1791.66    172.693  1959.38    165.929  121.086 5.8778  126.698 5.3975  -5.612106      7.980069 
1 1 1 -12 -25 4  o 223.908 5.2729  6115.56    286.470  6084.16    409.849  6145.55    400.570  222.687 7.5852  223.876 7.3741  -1.189346      10.57883 
1 1 1 -12 -25 5  o 136.403 4.0764  2264.22    134.916  2185.62    194.353  2337.33    187.434  133.777 5.9875  138.402 5.5814  -4.625122      8.185510 
1 1 1 -12 -25 6  o 73.658  3.7726  661.601    67.199   679.491    98.189   645.839    92.165   74.443  5.4744  72.595  5.2682  1.847832       7.597531 
1 1 1 -12 -25 7  o 129.902 3.9987  2052.80    126.036  1991.98    182.219  2108.57    174.514  127.762 5.8780  131.499 5.4694  -3.737373      8.029023 
1 1 1 -12 -25 8  f 84.822  3.7449  874.891    77.075   849.255    112.221  897.781    106.043  83.268  5.5867  85.687  5.1239  -2.419121      7.580600 
1 1 1 -12 -25 9  o 167.092 6.3180  3408.95    256.153  3408.95    256.153  0.0000     0.0000   167.092 6.3180  ?       ?       0.000000       6.317992 
1 1 1 -12 -25 10 o 163.242 6.2464  3252.77    247.414  3252.77    247.414  0.0000     0.0000   163.242 6.2464  ?       ?       0.000000       6.246364 
1 1 1 -12 -25 11 o 144.862 4.8807  2555.27    171.555  2529.83    209.564  2606.96    298.704  144.005 5.9976  145.540 8.4954  -1.535675      10.39919 
1 1 1 -12 -25 12 o 133.881 4.0489  2179.99    131.529  2062.31    188.433  2291.81    183.680  130.027 5.9725  137.125 5.5205  -7.098145      8.133083 
1 1 1 -12 -25 13 o 17.950  5.9783  37.088     30.487   35.707     52.293   37.799     37.524   20.304  7.7045  18.804  6.6211  1.500315       10.15869 
1 1 1 -12 -25 14 o 84.724  3.4466  872.403    70.853   1052.15    111.908  752.142    91.537   92.821  4.9870  78.454  4.8321  14.36745       6.944053 
1 1 1 -12 -25 15 o 69.996  3.4201  595.435    58.087   740.595    94.047   505.910    73.858   77.827  5.0068  64.292  4.7685  13.53484       6.914232 
1 1 1 -12 -25 16 o 188.129 4.5091  4306.71    205.829  4729.47    301.446  3937.45    281.725  196.865 6.3107  179.600 6.4648  17.26453       9.034275 
1 1 1 -12 -25 17 o 242.289 5.3845  7152.30    316.552  7477.71    457.806  6854.19    438.181  247.211 7.6322  236.681 7.6300  10.53043       10.79203 
1 1 1 -12 -25 18 o 70.143  3.4447  597.944    58.628   584.347    95.523   606.162    74.261   68.997  5.7584  70.452  4.3656  -1.455063      7.226139 
1 1 1 -12 -25 19 o 69.769  4.3547  594.484    73.352   567.354    97.935   629.151    110.707  67.945  6.0021  71.510  6.4498  -3.564896      8.810496 
1 1 1 -12 -25 20 o 252.812 7.9472  7825.85    487.499  8329.57    703.146  7359.60    676.483  259.666 11.160  243.973 11.427  15.69287       15.97295 
1 1 1 -12 -25 21 o 182.595 8.8933  4091.96    394.015  0.0000     0.0000   4091.96    394.015  ?       ?       182.595 8.8933  0.000000       8.893254 
1 1 1 -12 -25 22 o 71.364  6.6817  627.274    114.353  0.0000     0.0000   627.274    114.353  ?       ?       71.364  6.6817  0.000000       6.681736 
1 1 1 -12 -25 23 o 86.562  6.6820  920.421    139.259  0.0000     0.0000   920.421    139.259  ?       ?       86.562  6.6820  0.000000       6.682001 
1 1 1 -12 -25 24 o 36.272  4.4026  162.418    37.954   157.266    70.090   164.555    45.146   35.126  8.3468  36.381  5.2675  -1.254711      9.869905 
1 1 1 -12 -25 25 o 125.318 3.7636  1909.39    114.440  1909.99    171.178  1908.90    153.885  125.172 5.6361  125.194 5.0658  -0.2182770E-01 7.578110 
1 1 1 -12 -25 26 o 133.900 3.8494  2180.14    125.065  2209.68    186.271  2155.89    168.760  134.622 5.7025  133.027 5.2284  1.596024       7.736553 
1 1 1 -12 -25 27 o 155.516 4.1873  2942.20    158.005  2849.57    233.564  3020.36    214.550  152.786 6.3003  157.397 5.6178  -4.611145      8.441188 
1 1 1 -12 -25 28 o 159.512 4.8226  3098.31    186.652  3207.38    346.574  3053.76    221.524  161.347 8.8869  158.234 5.7697  3.112610       10.59557 
1 1 1 -12 -25 29 f 79.703  3.6123  772.333    69.860   717.768    107.563  812.142    91.874   76.485  5.8401  81.541  4.6629  -5.056236      7.473249 
1 1 1 -12 -25 30 o 127.853 5.5581  1993.52    172.426  1805.79    262.651  2135.70    228.579  120.851 9.0221  131.918 7.1681  -11.06693      11.52301 
1 1 1 -12 -25 31 o 68.143  5.4233  569.794    88.928   640.554    138.210  519.804    116.169  71.816  8.0713  64.710  7.5401  7.106972       11.04530 
1 1 1 -12 -25 32 o 147.133 5.9409  2643.45    212.093  2364.96    319.984  2861.67    283.254  138.133 9.6068  152.571 7.6759  -14.43765      12.29672 
1 1 1 -12 -25 33 o 228.988 7.5490  6432.16    419.440  6324.80    617.143  6524.33    571.803  225.549 11.277  229.555 10.266  -4.005844      15.24963 
1 1 1 -12 -25 34 o 121.072 3.9106  1784.03    114.881  1684.58    173.013  1862.45    153.639  117.227 6.1037  123.563 5.1245  -6.336647      7.969617 
1 1 1 -12 -25 35 o 21.884  6.5126  59.387     37.145   -12.6787   59.824   104.602    47.386   17.227  7.5339  28.644  6.8999  -11.41754      10.21605 
1 1 1 -12 -25 36 o 84.239  3.6654  863.776    74.919   991.964    118.515  778.455    96.689   89.930  5.4571  79.699  5.0257  10.23133       7.418705 
1 1 1 -12 -25 37 o 29.034  5.6312  106.614    38.239   61.608     65.101   130.321    47.249   24.194  8.6994  32.059  6.2987  -7.864752      10.74022 
1 1 1 -12 -25 38 o 117.664 3.8611  1687.27    110.236  1668.39    168.881  1701.29    145.510  116.484 5.9955  117.956 5.0840  -1.472214      7.860906 
1 1 1 -12 -25 39 o 170.258 4.4973  3540.90    185.790  3571.90    277.745  3515.80    249.941  170.287 6.7220  169.174 6.0889  1.113373       9.069753 
1 1 1 -12 -25 40 o 115.585 3.8505  1629.87    107.990  1756.39    167.444  1539.77    141.304  119.575 5.7712  112.090 5.1954  7.484947       7.765246 
1 1 1 -12 -25 41 o 215.558 5.1808  5700.24    270.975  5694.47    399.914  5705.13    368.449  214.022 7.7010  214.626 7.0751  -0.6042480     10.45760 
1 1 1 -12 -25 42 o 99.427  3.7735  1207.21    91.037   1321.66    144.110  1131.21    117.437  103.432 5.7650  95.868  5.0666  7.564796       7.675014 
1 1 1 -12 -25 43 f 30.997  5.4766  121.682    39.684   61.067     70.452   149.851    48.027   24.388  9.0069  34.366  5.9766  -9.978062      10.80942 
1 1 1 -12 -25 44 o 147.174 6.1294  2682.03    218.884  2418.16    323.380  2905.14    297.354  137.337 9.7680  151.841 8.1001  -14.50461      12.68957 
1 1 1 -12 -25 45 o 78.284  5.4598  760.070    103.059  677.017    159.870  819.125    134.808  72.363  9.3218  80.751  6.9479  -8.387253      11.62629 
1 1 1 -12 -25 46 f 17.250  7.0893  13.689     47.646   146.782    83.596   -50.3475   57.986   33.390  9.7256  14.518  6.7604  18.87188       11.84446 
1 1 1 -12 -25 47 o 171.840 4.6917  3634.86    195.624  3414.57    296.686  3804.29    260.198  164.778 7.4205  174.910 6.1309  -10.13161      9.625609 
1 1 1 -12 -25 48 o 44.425  5.0485  246.593    53.452   230.339    100.140  253.069    63.210   41.379  10.069  44.761  5.9687  -3.382225      11.70554 
1 1 1 -12 -25 49 o 47.091  4.8280  276.213    54.385   361.003    103.512  243.883    63.918   52.694  8.3762  43.848  6.1790  8.846161       10.40870 
1 1 1 -12 -25 50 o 22.260  6.9348  62.205     41.483   58.989     88.181   63.119     47.010   25.441  9.9130  22.673  7.4175  2.767693       12.38085 
1 1 1 -12 -25 51 o 19.516  7.5871  32.427     51.566   -105.4228  114.141  67.778     57.802   19.705  9.2746  23.871  8.2286  -4.166468      12.39872 
1 1 1 -12 -25 52 o 50.190  6.4556  320.911    76.795   349.250    150.920  311.009    89.208   49.571  12.539  48.889  7.7809  0.6814461      14.75669 
1 1 1 -12 -25 53 o 24.171  7.2167  75.470     45.556   111.621    94.598   64.555     51.980   29.912  10.515  23.045  7.8063  6.866482       13.09559 
1 1 1 -12 -25 54 o 29.902  6.7741  117.517    48.010   161.799    100.008  104.255    54.729   34.367  10.777  28.037  7.7740  6.329824       13.28867 
1 1 1 -12 -25 55 o 38.956  5.8711  194.610    53.772   136.744    112.208  211.860    61.265   32.306  11.442  40.463  6.4572  -8.156353      13.13799 
1 1 1 -12 -25 56 o 37.496  5.9797  181.389    52.576   82.998     113.188  208.458    59.369   28.303  11.170  40.126  6.3057  -11.82384      12.82702 
1 1 1 -12 -25 57 o 81.618  4.3686  829.426    86.201   969.274    157.148  769.237    103.095  86.097  7.6004  78.021  5.4806  8.076462       9.370328 
1 1 1 -12 -25 58 o 62.391  5.3839  493.476    80.707   732.870    172.324  426.211    91.345   72.629  10.048  57.283  6.6985  15.34646       12.07573 
1 1 1 -12 -25 59 o 60.794  5.3636  469.263    78.308   664.075    168.769  415.814    88.400   68.557  10.478  56.584  6.5603  11.97212       12.36263 
1 1 1 -12 -25 60 o 19.775  7.9845  29.892     59.174   -453.9334  157.385  109.547    63.859   16.424  8.2910  28.320  8.5645  -11.89582      11.92021 
1 1 1 -12 -25 61 o 37.610  9.8681  201.828    91.180   340.654    194.365  162.656    103.246  45.140  15.096  33.667  10.992  11.47229       18.67362 
1 1 1 -12 -25 62 o 18.641  7.7038  19.897     56.670   144.872    149.788  -0.9797    61.221   33.224  12.927  17.632  7.6681  15.59174       15.03007 
1 1 1 -12 -25 63 o 28.395  8.3677  110.162    61.561   10.573     161.677  127.049    66.577   27.269  12.135  30.328  8.6331  -3.058451      14.89269 
1 1 1 -12 -25 64 o 35.840  11.290  189.625    109.604  208.919    264.773  185.636    120.404  38.333  16.296  35.405  11.881  2.927944       20.16713 
1 1 1 -12 -25 65 o 41.614  11.097  259.505    114.108  293.158    278.586  252.721    125.082  40.932  17.012  40.517  11.924  0.4150352      20.77442 
1 1 1 -12 -24 1  o 29.548  5.1519  109.560    35.594   68.315     50.317   150.873    50.358   23.875  7.6632  34.610  6.2255  -10.73468      9.873243 
1 1 1 -12 -24 2  o 60.090  3.7681  440.968    54.662   423.639    79.397   456.582    75.367   58.646  5.6494  60.979  5.1417  -2.332222      7.638945 
1 1 1 -12 -24 3  o 151.974 4.2357  2811.12    156.193  2799.37    225.063  2822.04    216.943  151.390 6.1269  152.042 5.8806  -0.6519623     8.492374 
1 1 1 -12 -24 4  o 239.697 5.5071  7006.70    320.297  6724.51    457.484  7278.03    448.586  234.132 8.0529  243.729 7.5853  -9.596878      11.06280 
1 1 1 -12 -24 5  f 130.235 4.0286  2063.21    127.306  2393.09    183.477  1756.94    176.786  140.112 5.3969  119.822 6.1008  20.29025       8.145275 
1 1 1 -12 -24 6  o 94.800  3.7005  1092.68    85.121   1052.10    123.299  1129.63    117.658  92.741  5.5040  96.168  5.0601  -3.426804      7.476489 
1 1 1 -12 -24 7  o 58.657  3.8574  420.170    54.595   388.398    78.250   450.305    76.207   56.137  5.8298  60.573  5.2366  -4.435841      7.836339 
1 1 1 -12 -24 8  o 115.930 5.5892  1638.17    157.221  1638.17    157.221  0.0000     0.0000   115.930 5.5892  ?       ?       0.000000       5.589207 
1 1 1 -12 -24 9  o 252.212 8.0580  7791.19    493.124  7791.19    493.124  0.0000     0.0000   252.212 8.0580  ?       ?       0.000000       8.057996 
1 1 1 -12 -24 10 o 88.605  4.4248  955.187    95.130   1009.48    116.378  845.864    165.145  90.880  5.3006  82.674  8.3467  8.205498       9.887604 
1 1 1 -12 -24 11 o 215.589 5.1093  5659.95    267.272  5629.95    380.869  5689.06    375.154  214.597 7.3145  215.754 7.1662  -1.156708      10.23995 
1 1 1 -12 -24 12 o 85.436  3.4337  887.033    71.182   867.708    111.850  900.188    92.281   84.212  5.5042  85.905  4.4424  -1.692535      7.073295 
1 1 1 -12 -24 13 o 153.730 4.0375  2873.75    150.603  3229.14    223.561  2578.47    203.781  162.779 5.6602  145.444 5.7744  17.33485       8.085876 
1 1 1 -12 -24 14 o 68.640  3.4935  574.057    57.992   898.136    94.105   375.621    73.637   85.798  4.5364  55.246  5.5692  30.55192       7.183000 
1 1 1 -12 -24 15 o 99.543  3.5537  1204.26    85.833   1385.89    133.006  1074.64    112.361  106.684 5.1382  93.826  4.9530  12.85772       7.136735 
1 1 1 -12 -24 16 o 170.980 4.2649  3555.69    176.938  4015.91    260.645  3162.32    240.969  181.497 5.9186  161.024 6.1675  20.47322       8.547914 
1 1 1 -12 -24 17 o 223.599 5.0741  6087.26    275.294  6332.20    399.335  5865.43    380.031  227.636 7.2299  219.103 7.1483  8.532776       10.16711 
1 1 1 -12 -24 18 o 40.624  3.9231  202.502    38.189   190.565    68.902   207.795    45.881   38.822  7.5865  41.059  4.6895  -2.236420      8.918870 
1 1 1 -12 -24 19 o 229.389 5.1578  6407.37    287.079  6801.15    416.313  6050.35    396.401  235.905 7.2731  222.488 7.3428  13.41743       10.33513 
1 1 1 -12 -24 20 o 186.529 8.9949  4268.49    407.103  0.0000     0.0000   4268.49    407.103  ?       ?       186.529 8.9949  0.000000       8.994868 
1 1 1 -12 -24 21 o 91.967  6.7686  1038.14    149.979  0.0000     0.0000   1038.14    149.979  ?       ?       91.967  6.7686  0.000000       6.768559 
1 1 1 -12 -24 22 o 40.250  7.7228  204.719    72.680   0.0000     0.0000   204.719    72.680   ?       ?       40.250  7.7228  0.000000       7.722820 
1 1 1 -12 -24 23 o 165.389 6.1083  3335.91    245.128  3559.51    361.343  3145.29    333.639  170.150 8.7823  159.955 8.6283  10.19577       12.31159 
1 1 1 -12 -24 24 o 83.806  3.8797  853.908    78.893   872.120    152.036  847.197    92.292   84.121  7.5282  83.316  4.5829  0.8046799      8.813468 
1 1 1 -12 -24 25 o 198.356 4.7422  4788.69    228.240  4727.03    332.557  4843.60    313.819  196.711 6.9674  199.212 6.4923  -2.500931      9.523416 
1 1 1 -12 -24 26 o 81.900  3.4405  815.161    68.371   789.011    104.771  834.557    90.232   80.295  5.4091  82.696  4.5140  -2.400185      7.045163 
1 1 1 -12 -24 27 o 241.238 5.4487  7091.05    318.937  6811.44    461.658  7346.34    441.133  235.827 8.0680  245.090 7.4179  -9.263611      10.95977 
1 1 1 -12 -24 28 o 115.650 3.7483  1626.05    105.183  1607.36    157.746  1641.01    141.138  114.830 5.6616  116.085 5.0108  -1.255638      7.560519 
1 1 1 -12 -24 29 o 55.082  3.9523  370.859    52.472   324.540    82.014   402.958    68.274   51.104  6.7815  57.312  4.9584  -6.208157      8.400868 
1 1 1 -12 -24 30 o 91.552  3.7304  1019.10    82.868   807.030    126.518  1178.43    109.667  81.038  6.4887  98.394  4.5935  -17.35583      7.950089 
1 1 1 -12 -24 31 o 117.944 5.4105  1695.71    154.839  1834.89    237.218  1592.40    204.383  122.080 8.0535  113.818 7.4416  8.262283       10.96524 
1 1 1 -12 -24 32 f 236.794 7.7764  6872.59    446.801  6501.93    655.716  7193.84    610.452  228.495 11.868  241.288 10.427  -12.79263      15.79762 
1 1 1 -12 -24 33 o 145.861 5.8908  2597.19    208.486  2485.19    317.056  2682.52    276.728  141.748 9.2694  147.709 7.7482  -5.960510      12.08126 
1 1 1 -12 -24 34 o 60.832  3.7971  451.918    55.766   550.129    91.101   393.065    70.523   66.899  5.6655  56.539  5.1989  10.35992       7.689317 
1 1 1 -12 -24 35 f 24.176  6.2980  74.121     37.313   2.7287     64.948   109.295    45.588   19.093  8.0916  29.315  6.5716  -10.22170      10.42397 
1 1 1 -12 -24 36 o 86.569  3.6904  911.975    77.517   842.273    122.480  958.551    100.121  82.749  6.1440  88.548  4.6765  -5.798859      7.721285 
1 1 1 -12 -24 37 o 82.281  3.6583  824.099    73.037   876.651    114.856  788.423    94.635   84.487  5.6350  80.230  4.8846  4.257774       7.457382 
1 1 1 -12 -24 38 o 138.069 4.1145  2323.65    137.841  2191.76    208.611  2425.86    183.642  133.641 6.4333  140.840 5.3738  -7.198929      8.382424 
1 1 1 -12 -24 39 o 83.171  3.7528  842.896    75.734   734.020    120.543  913.900    97.346   77.013  6.5118  86.378  4.6619  -9.364349      8.008548 
1 1 1 -12 -24 40 o 124.030 3.9641  1876.52    119.299  1882.95    183.033  1871.78    157.304  123.784 6.0940  123.621 5.2442  0.1630478      8.039805 
1 1 1 -12 -24 41 o 236.969 5.5023  6892.67    316.374  6979.51    464.247  6817.38    432.301  236.875 8.0773  234.440 7.5996  2.435242       11.09038 
1 1 1 -12 -24 42 o 122.361 3.9420  1828.60    117.037  1994.43    180.628  1708.60    153.654  127.282 5.8486  117.943 5.3691  9.338379       7.939418 
1 1 1 -12 -24 43 o 109.556 3.8947  1466.63    103.532  1457.23    162.269  1473.08    134.453  108.446 6.1924  109.527 5.0592  -1.081093      7.996390 
1 1 1 -12 -24 44 o 142.664 5.0439  2501.88    174.601  2580.21    223.461  2379.10    279.768  144.316 6.3815  137.287 8.4394  7.028137       10.58053 
1 1 1 -12 -24 45 o 77.098  5.4749  736.809    101.755  694.317    157.189  767.458    133.501  73.522  8.9993  78.132  7.1201  -4.610153      11.47528 
1 1 1 -12 -24 46 o 85.151  5.4950  899.187    112.926  897.985    173.770  900.065    148.577  83.765  8.6754  84.491  7.3196  -0.7262192     11.35072 
1 1 1 -12 -24 47 o 121.546 4.0853  1811.44    120.484  1715.15    188.783  1877.61    156.502  117.073 6.6734  123.332 5.2297  -6.259071      8.478441 
1 1 1 -12 -24 48 o 42.835  5.0103  229.231    51.090   240.460    95.042   224.667    60.589   42.522  9.4562  42.110  6.1081  0.4123917      11.25743 
1 1 1 -12 -24 49 o 40.724  5.1533  207.938    49.782   114.638    93.883   244.432    58.716   30.498  10.489  44.078  5.6177  -13.58043      11.89821 
1 1 1 -12 -24 50 o 34.581  5.9674  152.695    48.262   260.560    91.234   110.784    56.870   44.457  8.7693  29.081  7.8686  15.37610       11.78194 
1 1 1 -12 -24 51 o 18.931  7.6799  21.630     55.023   -78.1515   113.367  52.379     62.933   20.623  9.5515  22.681  8.4856  -2.057802      12.77637 
1 1 1 -12 -24 52 o 60.678  6.3280  465.631    91.796   228.923    175.462  554.832    107.712  40.835  14.322  66.082  6.8155  -25.24710      15.86087 
1 1 1 -12 -24 53 o 45.017  5.2216  254.837    55.977   132.342    108.323  299.466    65.384   32.215  11.256  48.713  5.6358  -16.49761      12.58771 
1 1 1 -12 -24 54 o 16.659  6.7663  16.423     42.764   104.750    98.861   -3.9089    47.432   29.461  10.702  15.576  6.7616  13.88535       12.65908 
1 1 1 -12 -24 55 o 64.164  4.5764  512.676    70.781   545.555    130.761  499.049    84.180   64.210  8.6098  62.913  5.5721  1.296852       10.25557 
1 1 1 -12 -24 56 o 40.208  5.7792  207.064    54.762   310.771    115.561  177.031    62.188   47.128  10.386  36.586  7.2616  10.54193       12.67259 
1 1 1 -12 -24 57 o 58.990  4.7692  436.254    67.680   546.756    130.399  395.511    79.180   63.923  8.6276  55.650  5.9564  8.272991       10.48405 
1 1 1 -12 -24 58 o 85.667  4.8572  919.889    100.548  1135.56    197.090  844.011    116.906  91.842  8.9583  81.389  5.9613  10.45302       10.76051 
1 1 1 -12 -24 59 o 68.927  5.1753  599.972    85.923   642.911    177.249  586.782    98.238   66.796  11.342  67.684  6.0454  -0.8879547     12.85251 
1 1 1 -12 -24 60 o 51.260  8.0211  352.597    96.494   276.739    191.905  378.266    111.632  41.472  14.933  52.440  9.1035  -10.96827      17.48951 
1 1 1 -12 -24 61 o 63.220  7.4206  526.524    111.665  736.127    210.723  444.685    131.672  69.894  12.901  56.296  10.006  13.59838       16.32624 
1 1 1 -12 -24 62 o 21.231  8.3069  42.487     62.119   112.316    156.527  29.434     67.676   31.744  12.925  20.677  8.4678  11.06697       15.45171 
1 1 1 -12 -24 63 o 15.093  6.9222  -33.1484   57.507   0.7712     141.806  -39.8248   62.913   25.588  11.377  15.547  7.1705  10.04052       13.44815 
1 1 1 -12 -24 64 o 25.163  10.411  50.404     103.669  203.179    285.153  27.136     111.284  38.664  16.682  24.400  10.473  14.26428       19.69661 
1 1 1 -12 -24 65 o 27.147  10.696  83.046     103.606  -185.9986  264.222  131.929    112.625  27.672  13.321  31.022  11.399  -3.350885      17.53248 
1 1 1 -12 -23 1  o 199.898 6.8862  4888.80    334.002  4843.72    461.819  4938.24    483.636  198.192 9.6033  199.992 9.9665  -1.799942      13.84035 
1 1 1 -12 -23 2  o 239.440 7.7427  7025.52    449.833  6837.89    625.560  7226.43    647.318  235.044 10.969  241.598 11.042  -6.553314      15.56422 
1 1 1 -12 -23 3  o 329.730 6.9609  13292.45   556.914  13588.21   792.538  13003.96   782.744  332.108 9.8351  324.841 9.9308  7.266663       13.97673 
1 1 1 -12 -23 4  o 60.148  3.7723  441.597    54.776   381.925    79.756   494.873    75.361   55.636  6.0032  63.560  4.9249  -7.924564      7.764884 
1 1 1 -12 -23 5  o 183.331 4.6558  4090.77    207.107  3887.87    296.691  4283.60    289.240  178.392 6.8543  187.341 6.3630  -8.948700      9.352501 
1 1 1 -12 -23 6  o 29.018  5.2234  105.680    35.426   112.432    51.169   99.464     49.095   29.742  7.1735  28.001  7.1891  1.741245       10.15588 
1 1 1 -12 -23 7  o 47.569  6.0872  280.407    68.649   280.407    68.649   0.0000     0.0000   47.569  6.0872  ?       ?       0.000000       6.087246 
1 1 1 -12 -23 8  o 134.543 5.7449  2206.25    187.545  2206.25    187.545  0.0000     0.0000   134.543 5.7449  ?       ?       0.000000       5.744867 
1 1 1 -12 -23 9  o 181.534 9.1294  4053.84    400.847  4053.84    400.847  0.0000     0.0000   181.534 9.1294  ?       ?       0.000000       9.129437 
1 1 1 -12 -23 10 o 140.288 4.6544  2394.73    158.434  2475.92    198.761  2253.25    262.378  142.536 5.7470  135.458 8.0186  7.078522       9.865415 
1 1 1 -12 -23 11 o 88.564  4.7028  957.109    100.699  1016.05    185.463  932.470    119.914  90.680  8.5293  87.295  5.6924  3.384987       10.25440 
1 1 1 -12 -23 12 o 13.529  4.9176  18.133     20.878   -1.2208    44.634   23.553     23.622   15.618  6.6661  14.899  5.2525  0.7193565      8.486846 
1 1 1 -12 -23 13 o 37.122  3.9877  169.459    35.355   191.008    62.603   159.367    42.841   38.991  6.8679  35.831  5.0691  3.160339       8.536026 
1 1 1 -12 -23 14 o 119.561 3.7035  1737.41    107.439  1669.44    162.208  1790.54    143.406  117.052 5.7113  121.294 4.8726  -4.242516      7.507407 
1 1 1 -12 -23 15 o 33.096  4.1241  135.236    32.399   110.575    58.012   146.415    39.058   29.563  7.9254  34.355  4.8180  -4.792194      9.275007 
1 1 1 -12 -23 16 o 101.814 3.4929  1259.65    86.288   1521.32    132.329  1066.09    113.814  111.804 4.8779  93.449  5.0381  18.35526       7.012543 
1 1 1 -12 -23 17 o 209.939 4.8657  5363.88    247.859  5614.65    360.265  5138.50    341.536  214.447 6.9237  205.164 6.8607  9.282654       9.747154 
1 1 1 -12 -23 18 o 210.239 4.8518  5379.13    247.502  5809.56    360.111  4993.78    340.733  218.162 6.8029  202.240 6.9436  15.92207       9.720732 
1 1 1 -12 -23 19 o 96.744  4.6001  1138.68    107.982  0.0000     0.0000   1138.68    107.982  ?       ?       96.744  4.6001  0.000000       4.600055 
1 1 1 -12 -23 20 o 17.931  6.1071  36.046     31.816   0.0000     0.0000   36.046     31.816   ?       ?       17.931  6.1071  0.000000       6.107126 
1 1 1 -12 -23 21 o 120.133 7.2308  1769.29    209.791  0.0000     0.0000   1769.29    209.791  ?       ?       120.133 7.2308  0.000000       7.230810 
1 1 1 -12 -23 22 o 28.377  7.6478  101.769    53.850   164.446    107.785  80.920     62.165   36.455  11.149  26.173  8.5281  10.28260       14.03667 
1 1 1 -12 -23 23 o 13.189  5.7338  -6.1006    34.210   -78.8010   58.345   31.987     42.231   13.414  6.4048  18.641  6.9556  -5.226878      9.455281 
1 1 1 -12 -23 24 o 233.778 7.5583  6681.39    428.735  6277.01    615.394  7062.77    597.642  225.552 11.245  239.582 10.281  -14.03035      15.23594 
1 1 1 -12 -23 25 o 134.567 3.8190  2201.24    124.695  2459.90    185.196  1986.72    168.654  142.116 5.3706  127.712 5.4425  14.40456       7.646215 
1 1 1 -12 -23 26 o 175.766 4.4194  3758.06    188.480  3710.98    276.399  3798.98    257.686  174.386 6.5322  176.520 6.0164  -2.133194      8.880677 
1 1 1 -12 -23 27 o 123.279 3.7722  1847.43    112.837  1853.39    169.202  1842.66    151.426  123.326 5.6544  123.022 5.0729  0.3042984      7.596473 
1 1 1 -12 -23 28 o 53.613  3.8887  351.287    50.243   319.367    76.231   375.803    66.807   50.779  6.3241  55.332  5.0310  -4.552933      8.081182 
1 1 1 -12 -23 29 o 25.785  6.0988  84.344     37.559   139.968    62.042   52.166     47.189   33.163  7.8348  21.643  7.4364  11.51967       10.80206 
1 1 1 -12 -23 30 f 182.055 4.6232  4033.74    204.223  3710.29    299.276  4315.60    279.380  174.236 7.0790  188.086 6.1217  -13.85005      9.358828 
1 1 1 -12 -23 31 f 71.348  5.6006  624.303    96.178   500.556    149.004  712.683    125.924  62.997  10.088  76.064  6.8979  -13.06693      12.22119 
1 1 1 -12 -23 32 o 311.109 9.5519  11912.35   721.053  11562.75   1044.51  12230.63   996.623  303.922 14.164  313.268 13.111  -9.346161      19.30097 
1 1 1 -12 -23 33 o 219.178 7.2534  5879.16    385.747  6025.25    570.088  5755.79    523.892  220.783 10.642  216.025 9.9948  4.757629       14.59940 
1 1 1 -12 -23 34 o 198.274 6.8645  4809.15    330.247  4788.94    493.394  4825.55    444.504  196.557 10.382  197.944 9.2548  -1.387726      13.90826 
1 1 1 -12 -23 35 o 150.510 4.2072  2757.54    153.646  2658.93    229.766  2837.30    206.646  147.467 6.4213  152.477 5.5854  -5.010117      8.510629 
1 1 1 -12 -23 36 o 53.057  4.0951  344.728    52.311   319.908    85.786   359.420    66.002   50.593  7.1905  54.049  5.0928  -3.456245      8.811400 
1 1 1 -12 -23 37 o 169.419 4.4569  3498.05    183.213  3561.09    272.651  3446.15    247.392  170.481 6.5912  167.832 6.0750  2.649567       8.963821 
1 1 1 -12 -23 38 o 241.138 5.5082  7109.38    322.282  7324.73    470.669  6919.27    442.213  243.742 7.9583  237.026 7.6890  6.716049       11.06598 
1 1 1 -12 -23 39 o 38.522  4.7035  183.820    43.051   264.265    73.576   141.940    53.087   45.888  6.8151  33.399  6.7823  12.48909       9.614866 
1 1 1 -12 -23 40 o 21.093  6.4027  55.004     35.642   106.586    63.485   31.262     43.070   29.019  8.4819  18.577  7.0060  10.44189       11.00123 
1 1 1 -12 -23 41 o 49.802  4.1802  304.903    50.046   373.713    84.223   267.345    62.223   54.725  6.4678  46.345  5.6503  8.380581       8.588255 
1 1 1 -12 -23 42 o 131.241 4.0511  2103.53    129.004  2183.50    198.016  2044.56    170.041  133.148 6.1292  129.050 5.4304  4.097961       8.188778 
1 1 1 -12 -23 43 o 39.964  4.7160  198.324    44.850   129.774    77.456   232.899    55.009   31.783  9.3916  43.219  5.3608  -11.43608      10.81387 
1 1 1 -12 -23 44 o 33.614  5.3607  142.323    42.254   172.266    73.254   127.394    51.726   36.352  8.4632  31.440  6.9640  4.911926       10.96001 
1 1 1 -12 -23 45 o 24.439  7.8503  73.497     52.796   188.218    88.635   10.409     65.729   37.748  9.6424  19.552  8.2049  18.19634       12.66078 
1 1 1 -12 -23 46 o 57.477  5.8336  412.625    80.230   349.329    126.933  454.737    103.535  51.220  10.564  59.915  7.2707  -8.694977      12.82440 
1 1 1 -12 -23 47 o 28.599  6.1533  105.248    41.433   130.752    75.902   94.422     49.451   31.647  9.2815  27.004  7.3502  4.642712       11.83940 
1 1 1 -12 -23 48 o 51.887  4.5978  333.553    57.287   355.959    104.975  324.050    68.364   52.362  8.5580  50.873  5.6328  1.489208       10.24536 
1 1 1 -12 -23 49 o 45.359  5.0178  256.728    54.301   274.649    103.695  249.956    63.739   45.417  9.7042  44.470  6.0654  0.9474640      11.44379 
1 1 1 -12 -23 50 o 35.874  5.8224  163.592    48.943   185.369    95.542   155.844    56.989   37.132  10.262  34.677  7.0141  2.455555       12.43029 
1 1 1 -12 -23 51 o 32.923  7.9608  142.794    62.896   80.171     129.243  162.227    71.996   29.924  11.896  34.977  8.5542  -5.053146      14.65226 
1 1 1 -12 -23 52 o 33.824  7.9530  151.075    64.173   -1.7017    132.256  198.120    73.391   25.692  11.220  38.793  8.0603  -13.10077      13.81504 
1 1 1 -12 -23 53 o 20.524  7.1714  48.490     43.974   58.450     93.613   45.671     49.812   25.713  10.155  20.711  7.5854  5.001810       12.67535 
1 1 1 -12 -23 54 o 31.576  6.5426  129.946    48.479   182.196    101.386  114.459    55.198   36.366  10.745  29.389  7.6619  6.976679       13.19658 
1 1 1 -12 -23 55 o 13.812  6.1693  -14.8747   42.207   119.177    98.281   -45.1877   46.736   30.548  10.718  12.724  5.9716  17.82418       12.26972 
1 1 1 -12 -23 56 o 61.571  4.5798  472.765    67.931   538.528    130.658  448.403    79.524   63.636  8.6891  59.570  5.5663  4.065182       10.31909 
1 1 1 -12 -23 57 o 48.923  5.2949  302.970    61.851   398.496    123.651  271.093    71.429   53.764  9.8412  45.714  6.6334  8.050163       11.86811 
1 1 1 -12 -23 58 o 74.493  5.0877  697.833    91.410   725.916    181.261  688.255    105.857  71.932  10.712  73.484  5.9890  -1.552292      12.27269 
1 1 1 -12 -23 59 o 73.183  5.0896  674.540    89.814   823.877    188.580  630.729    102.143  76.793  10.387  70.226  6.0536  6.567642       12.02248 
1 1 1 -12 -23 60 o 33.626  9.8169  159.339    85.085   76.030     173.074  185.890    97.707   30.800  13.136  35.991  10.523  -5.191008      16.83147 
1 1 1 -12 -23 61 o 61.861  7.6254  505.565    112.035  540.893    207.133  490.955    133.201  57.991  14.701  59.655  9.5226  -1.663776      17.51547 
1 1 1 -12 -23 62 o 43.162  7.2774  246.815    73.504   302.342    158.340  231.562    82.988   44.031  13.521  41.134  8.5920  2.897732       16.01983 
1 1 1 -12 -23 63 o 16.816  7.3896  -7.1468    58.166   95.741     138.236  -29.2822   64.118   30.063  12.181  16.306  7.4134  13.75764       14.25944 
1 1 1 -12 -23 64 o 52.629  10.563  396.763    130.199  294.095    290.969  422.465    145.587  42.091  17.431  53.570  11.541  -11.47816      20.90517 
1 1 1 -12 -23 65 o 34.873  10.390  176.754    94.506   -233.3435  297.908  222.643    99.654   28.540  13.838  39.084  10.346  -10.54409      17.27814 
1 1 1 -12 -22 1  o 192.886 6.6893  4545.57    313.072  4290.12    433.003  4825.38    453.187  186.461 9.6032  198.051 9.4305  -11.59016      13.45943 
1 1 1 -12 -22 2  o 90.826  5.0904  1007.85    111.731  1113.01    151.151  881.162    165.900  95.249  6.5805  84.411  8.2036  10.83764       10.51674 
1 1 1 -12 -22 3  o 31.959  6.4200  129.071    48.056   93.264     62.224   181.997    75.649   27.584  8.4769  37.803  8.4586  -10.21936      11.97521 
1 1 1 -12 -22 4  o 160.317 6.0732  3134.35    236.246  3155.83    326.417  3110.71    342.357  160.269 8.4234  158.997 8.9100  1.271469       12.26139 
1 1 1 -12 -22 5  o 132.323 3.9961  2128.92    128.303  2007.65    184.592  2242.27    178.459  128.330 5.9282  135.674 5.4210  -7.344803      8.033063 
1 1 1 -12 -22 6  o 79.588  5.3055  774.799    101.869  774.799    101.869  0.0000     0.0000   79.588  5.3055  ?       ?       0.000000       5.305478 
1 1 1 -12 -22 7  o 243.456 7.8680  7250.13    464.778  7250.13    464.778  0.0000     0.0000   243.456 7.8680  ?       ?       0.000000       7.867958 
1 1 1 -12 -22 8  o 108.824 5.4035  1442.29    142.680  1442.29    142.680  0.0000     0.0000   108.824 5.4035  ?       ?       0.000000       5.403501 
1 1 1 -12 -22 9  o 193.377 4.6495  4549.55    218.161  4471.28    317.269  4619.75    300.470  191.394 6.8318  194.624 6.3627  -3.229889      9.335812 
1 1 1 -12 -22 10 o 265.741 5.7762  8604.51    372.448  8914.31    536.245  8315.78    517.688  269.896 8.1885  260.679 8.1846  9.217010       11.57753 
1 1 1 -12 -22 11 o 67.491  3.3973  554.845    55.456   692.126    89.242   468.485    70.782   75.255  4.9143  61.871  4.7512  13.38414       6.835538 
1 1 1 -12 -22 12 o 139.531 3.8483  2366.47    130.289  2674.35    194.179  2114.36    175.715  148.194 5.4002  131.759 5.4962  16.43456       7.705209 
1 1 1 -12 -22 13 o 124.037 3.7183  1869.85    111.908  1926.73    168.385  1824.86    149.770  125.776 5.5175  122.445 5.0410  3.330795       7.473617 
1 1 1 -12 -22 14 o 178.085 4.4322  3857.27    191.519  3676.96    280.210  4015.34    262.366  173.601 6.6523  181.514 5.9571  -7.913574      8.929688 
1 1 1 -12 -22 15 o 177.168 4.3327  3817.20    186.256  4293.30    273.146  3403.43    254.638  187.686 5.9979  167.070 6.2815  20.61612       8.685118 
1 1 1 -12 -22 16 o 82.067  3.4280  818.310    68.261   828.366    107.750  811.569    88.222   82.300  5.4263  81.563  4.4749  0.7365799      7.033424 
1 1 1 -12 -22 17 o 36.512  4.0217  164.023    35.038   74.352     64.548   201.483    41.719   25.614  8.6988  40.476  4.3144  -14.86223      9.709986 
1 1 1 -12 -22 18 o 77.347  4.4501  730.032    83.166   0.0000     0.0000   730.032    83.166   ?       ?       77.347  4.4501  0.000000       4.450132 
1 1 1 -12 -22 19 o 173.039 5.9378  3648.97    249.306  0.0000     0.0000   3648.97    249.306  ?       ?       173.039 5.9378  0.000000       5.937800 
1 1 1 -12 -22 20 o 176.647 6.0317  3803.27    258.528  0.0000     0.0000   3803.27    258.528  ?       ?       176.647 6.0317  0.000000       6.031680 
1 1 1 -12 -22 21 o 126.224 3.7988  1936.50    116.346  1849.68    175.617  2004.41    155.321  123.204 5.8746  128.333 4.9880  -5.128273      7.706561 
1 1 1 -12 -22 22 o 135.332 7.5802  2245.15    247.912  0.0000     0.0000   2245.15    247.912  ?       ?       135.332 7.5802  0.000000       7.580250 
1 1 1 -12 -22 23 o 78.564  4.9066  754.044    93.065   930.904    139.821  613.367    124.700  87.097  6.6668  70.477  7.4028  16.62035       9.962293 
1 1 1 -12 -22 24 o 267.347 8.2935  8748.21    537.997  8736.12    769.885  8759.75    752.111  265.914 11.932  266.392 11.636  -0.4773254     16.66641 
1 1 1 -12 -22 25 f 187.613 6.4778  4293.59    294.886  4423.87    426.009  4173.74    408.600  189.906 9.2452  184.484 9.1280  5.421448       12.99207 
1 1 1 -12 -22 26 o 109.928 3.5974  1468.54    95.953   1564.77    144.847  1393.30    128.090  113.363 5.2659  106.995 4.9339  6.367760       7.216168 
1 1 1 -12 -22 27 f 230.503 5.2721  6469.65    294.866  6274.34    427.456  6646.97    407.284  226.509 7.7775  233.271 7.1957  -6.762589      10.59564 
1 1 1 -12 -22 28 o 70.901  3.4609  610.851    59.540   714.917    92.446   537.085    77.832   76.473  5.0098  66.252  4.8759  10.22128       6.990906 
1 1 1 -12 -22 29 o 129.658 3.9288  2043.85    123.603  1991.14    184.216  2087.01    166.695  127.802 5.9405  130.912 5.2478  -3.109489      7.926503 
1 1 1 -12 -22 30 o 155.975 4.2238  2958.89    159.853  2860.75    236.369  3041.60    217.003  153.126 6.3618  157.984 5.6609  -4.858353      8.515760 
1 1 1 -12 -22 31 o 31.274  7.4731  124.386    55.935   153.536    98.903   110.678    67.823   35.170  10.663  29.803  8.7830  5.366859       13.81489 
1 1 1 -12 -22 32 o 102.120 5.3454  1274.02    131.991  1098.83    209.178  1389.92    170.139  94.128  9.2794  106.487 6.6176  -12.35809      11.39735 
1 1 1 -12 -22 33 o 190.461 6.7891  4432.61    313.747  4079.57    467.784  4721.29    422.999  181.471 10.671  196.064 8.8915  -14.59311      13.88958 
1 1 1 -12 -22 34 o 176.984 6.3170  3825.19    271.274  4251.59    410.443  3494.45    361.484  185.936 9.0976  168.399 8.8782  17.53711       12.71172 
1 1 1 -12 -22 35 o 146.222 4.1647  2601.89    147.762  2589.72    221.569  2611.63    198.295  145.598 6.2718  146.317 5.5854  -0.7192841     8.398308 
1 1 1 -12 -22 36 o 111.744 3.8196  1519.13    103.562  1405.77    158.116  1604.30    137.051  107.091 6.1103  114.728 4.9232  -7.637260      7.846896 
1 1 1 -12 -22 37 o 134.969 4.0785  2217.82    133.566  2097.78    201.833  2311.35    178.157  130.938 6.3528  137.614 5.3355  -6.675552      8.296087 
1 1 1 -12 -22 38 o 74.121  3.7411  670.437    67.065   857.602    107.619  551.605    85.752   83.628  5.3314  66.998  5.3187  16.63085       7.530762 
1 1 1 -12 -22 39 o 79.367  3.7546  767.094    72.304   684.269    115.183  820.956    92.885   74.419  6.4423  81.887  4.6944  -7.467964      7.971278 
1 1 1 -12 -22 40 o 61.735  3.9210  466.367    58.430   370.199    96.359   522.291    73.480   54.290  7.5165  65.234  4.6733  -10.94360      8.850812 
1 1 1 -12 -22 41 o 60.333  3.9882  445.918    58.055   471.639    94.802   430.484    73.435   61.596  6.4382  59.079  5.1750  2.517204       8.260176 
1 1 1 -12 -22 42 o 18.752  6.4082  39.918     35.031   97.708     61.534   12.208     42.610   27.860  8.4030  16.430  6.7226  11.43007       10.76119 
1 1 1 -12 -22 43 o 30.680  5.6541  119.285    40.540   142.422    68.608   106.874    50.251   33.135  8.4939  28.808  7.2069  4.326450       11.13935 
1 1 1 -12 -22 44 o 110.429 3.9348  1490.24    105.430  1499.51    164.738  1483.81    137.210  110.019 6.1963  109.908 5.1451  0.1108398      8.053968 
1 1 1 -12 -22 45 o 70.596  5.6776  618.433    96.432   675.709    150.116  578.192    125.827  72.780  8.6713  67.571  7.8189  5.208427       11.67591 
1 1 1 -12 -22 46 o 45.533  6.4459  262.056    69.227   286.444    111.823  246.902    88.150   46.450  10.201  43.523  8.6519  2.927254       13.37572 
1 1 1 -12 -22 47 o 95.092  5.6017  1121.15    128.678  1207.50    195.355  1054.98    171.019  97.456  8.3418  91.321  7.7927  6.135147       11.41543 
1 1 1 -12 -22 48 o 50.201  4.7222  312.620    56.845   333.301    101.636  303.206    68.573   50.659  8.5744  49.141  5.8670  1.518150       10.38950 
1 1 1 -12 -22 49 o 44.690  5.0372  249.222    53.668   310.936    98.138   222.891    64.103   48.850  8.5934  41.834  6.5284  7.015869       10.79200 
1 1 1 -12 -22 50 o 34.166  6.0775  149.172    48.537   208.053    93.354   127.359    56.821   39.413  9.8026  31.202  7.5801  8.211147       12.39147 
1 1 1 -12 -22 51 o 49.190  6.5978  307.486    76.764   228.713    148.893  336.006    89.589   40.862  13.189  51.161  7.4345  -10.29858      15.14029 
1 1 1 -12 -22 52 o 18.558  7.6533  16.243     55.768   34.293     115.690  10.779     63.652   26.132  10.920  19.164  8.0598  6.968105       13.57237 
1 1 1 -12 -22 53 o 15.584  6.6688  0.7460     44.878   175.165    116.050  -29.9244   48.664   36.027  11.646  14.004  6.4023  22.02346       13.28948 
1 1 1 -12 -22 54 o 13.415  6.0047  -15.5545   40.211   55.335     86.642   -35.0154   45.396   24.851  9.7840  13.082  6.0536  11.76935       11.50536 
1 1 1 -12 -22 55 o 37.732  5.8253  182.150    51.616   151.293    103.841  192.276    59.486   33.498  11.027  38.525  6.6012  -5.026402      12.85215 
1 1 1 -12 -22 56 o 59.204  4.7131  437.745    67.145   502.987    128.393  413.185    78.775   61.417  8.8730  57.107  5.7640  4.309982       10.58079 
1 1 1 -12 -22 57 o 45.665  5.3918  264.559    58.589   417.267    117.750  214.312    67.543   55.602  9.0383  40.367  7.1581  15.23530       11.52948 
1 1 1 -12 -22 58 o 39.002  7.2403  201.419    65.995   121.881    138.934  224.595    74.997   31.897  12.439  40.970  7.8296  -9.073013      14.69790 
1 1 1 -12 -22 59 o 54.876  5.9249  385.381    77.639   225.740    153.585  440.180    89.983   38.799  13.411  58.411  6.4569  -19.61186      14.88444 
1 1 1 -12 -22 60 o 25.898  9.2714  83.037     73.867   -79.9396   168.332  121.904    82.205   24.839  11.550  29.931  9.8095  -5.091967      15.15371 
1 1 1 -12 -22 61 o 42.657  9.0009  250.794    90.233   158.889    192.830  276.560    102.101  35.483  14.383  44.425  9.7403  -8.941853      17.37098 
1 1 1 -12 -22 62 o 54.197  6.3282  378.730    81.651   287.428    170.903  405.733    92.945   42.797  14.150  55.748  7.0273  -12.95137      15.79867 
1 1 1 -12 -22 63 o 13.948  6.5486  -51.7503   56.302   32.722     139.261  -68.2551   61.557   26.934  11.639  14.020  6.6616  12.91422       13.41065 
1 1 1 -12 -22 64 o 31.723  11.631  135.286    117.154  419.452    292.095  80.809     127.892  47.318  18.148  28.605  11.669  18.71270       21.57589 
1 1 1 -12 -22 65 o 41.646  17.354  296.566    291.013  296.566    291.013  0.0000     0.0000   41.646  17.354  ?       ?       0.000000       17.35416 
1 1 1 -12 -21 1  o 22.927  6.7451  65.202     40.031   43.194     50.751   101.442    65.125   20.941  7.6586  28.654  8.6452  -7.712744      11.54963 
1 1 1 -12 -21 2  o 51.991  5.1800  332.380    64.476   363.535    85.705   291.756    97.866   54.175  6.6603  48.067  8.7120  6.107559       10.96618 
1 1 1 -12 -21 3  f 95.024  5.0904  1102.41    116.941  1024.06    159.150  1194.35    172.403  91.272  7.2459  98.610  7.2564  -7.338196      10.25474 
1 1 1 -12 -21 4  o 125.637 5.4738  1922.58    166.867  1862.07    229.562  1990.36    242.979  123.169 7.7203  127.322 7.9041  -4.153343      11.04888 
1 1 1 -12 -21 5  o 179.887 9.0631  3977.38    394.315  3977.38    394.315  0.0000     0.0000   179.887 9.0631  ?       ?       0.000000       9.063085 
1 1 1 -12 -21 6  o 105.110 7.2540  1355.69    183.874  1355.69    183.874  0.0000     0.0000   105.110 7.2540  ?       ?       0.000000       7.253978 
1 1 1 -12 -21 7  o 60.553  5.4212  450.029    78.808   450.029    78.808   0.0000     0.0000   60.553  5.4212  ?       ?       0.000000       5.421169 
1 1 1 -12 -21 8  o 193.565 4.6331  4557.85    217.601  4536.62    316.447  4576.89    299.704  192.820 6.7637  193.735 6.3756  -0.9156494     9.294933 
1 1 1 -12 -21 9  o 123.242 3.6547  1845.77    109.289  2072.50    163.766  1663.72    146.746  130.483 5.1726  116.909 5.1732  13.57413       7.315537 
1 1 1 -12 -21 10 o 303.744 6.3871  11250.05   470.734  11961.42   675.102  10576.90   656.716  312.454 8.9047  293.713 9.2149  18.74100       12.81438 
1 1 1 -12 -21 11 o 283.136 7.0516  9786.08    484.445  10149.44   598.176  9093.49    825.841  287.924 8.5622  271.127 12.553  16.79709       15.19535 
1 1 1 -12 -21 12 o 352.255 8.4597  15188.17   723.062  15436.18   890.641  14708.68   1238.39  354.338 10.359  343.500 14.858  10.83859       18.11287 
1 1 1 -12 -21 13 o 191.214 4.5113  4447.08    209.308  5117.03    305.565  3854.86    287.293  204.891 6.1463  177.763 6.6607  27.12816       9.063254 
1 1 1 -12 -21 14 o 217.932 4.9394  5779.52    261.192  6346.67    378.833  5265.65    360.603  228.057 6.8461  207.673 7.1563  20.38412       9.903565 
1 1 1 -12 -21 15 o 261.800 5.6496  8348.21    358.882  9061.00    516.895  7684.81    498.666  272.253 7.8246  250.634 8.1998  21.61897       11.33412 
1 1 1 -12 -21 16 o 137.356 3.8469  2293.11    128.210  2617.06    191.253  2028.71    172.784  146.609 5.3763  129.069 5.5172  17.53963       7.703506 
1 1 1 -12 -21 17 o 137.980 5.2382  2317.63    175.372  0.0000     0.0000   2317.63    175.372  ?       ?       137.980 5.2382  0.000000       5.238174 
1 1 1 -12 -21 18 o 255.014 7.8030  7949.40    482.822  0.0000     0.0000   7949.40    482.822  ?       ?       255.014 7.8030  0.000000       7.802961 
1 1 1 -12 -21 19 o 207.291 6.6716  5241.88    335.563  0.0000     0.0000   5241.88    335.563  ?       ?       207.291 6.6716  0.000000       6.671594 
1 1 1 -12 -21 20 o 192.426 4.5611  4503.83    212.960  5172.95    311.397  3915.91    291.891  205.996 6.2301  179.158 6.7146  26.83728       9.159663 
1 1 1 -12 -21 21 o 336.642 7.0908  13834.79   579.199  13267.31   828.513  14377.23   810.023  328.497 10.394  342.232 9.7547  -13.73499      14.25478 
1 1 1 -12 -21 22 o 291.953 8.8720  10441.91   628.488  10473.25   897.401  10411.73   880.474  290.912 12.713  290.149 12.506  0.7635193      17.83367 
1 1 1 -12 -21 23 o 311.972 9.3802  11936.63   710.055  11911.82   1012.62  11960.64   995.929  309.875 13.468  310.638 13.213  -0.7624207     18.86716 
1 1 1 -12 -21 24 o 122.381 5.2961  1823.38    157.265  1829.38    230.206  1818.12    215.348  122.089 7.8119  121.797 7.3209  0.2928619      10.70614 
1 1 1 -12 -21 25 o 190.202 6.5185  4412.30    300.834  4569.30    433.930  4267.01    417.437  193.036 9.2644  186.551 9.2221  6.485535       13.07197 
1 1 1 -12 -21 26 o 63.524  3.4746  491.762    53.353   561.126    82.716   442.343    69.818   67.711  5.0715  60.102  4.8283  7.608475       7.002300 
1 1 1 -12 -21 27 o 102.034 3.6149  1265.16    89.496   1010.51    135.557  1461.93    119.156  90.836  6.1872  109.633 4.4793  -18.79711      7.638406 
1 1 1 -12 -21 28 o 149.301 4.0543  2710.05    146.874  2896.18    217.258  2553.39    199.323  154.172 5.8077  144.775 5.6741  9.396698       8.119444 
1 1 1 -12 -21 29 o 119.753 3.7889  1743.11    110.093  1785.08    164.931  1709.37    147.855  121.051 5.6153  118.496 5.1424  2.555550       7.614182 
1 1 1 -12 -21 30 o 92.139  3.6191  1031.76    80.911   1131.61    124.459  958.663    106.483  96.248  5.3504  88.608  4.9728  7.639397       7.304502 
1 1 1 -12 -21 31 o 57.747  3.8909  407.230    54.201   356.970    86.658   439.525    69.465   53.653  6.8100  59.903  4.8200  -6.250412      8.343155 
1 1 1 -12 -21 32 o 13.223  6.1182  -38.9599   46.352   -99.0095   75.403   -2.4831    58.768   15.339  7.3121  17.834  7.6316  -2.495319      10.56918 
1 1 1 -12 -21 33 o 82.251  5.2476  827.395    104.183  995.739    170.912  727.856    131.422  89.841  7.9214  76.846  7.1295  12.99492       10.65728 
1 1 1 -12 -21 34 o 190.028 6.7305  4411.85    310.332  4341.24    466.245  4468.02    415.821  187.356 10.296  190.712 8.9859  -3.356079      13.66552 
1 1 1 -12 -21 35 f 224.092 5.2965  6120.76    287.990  5703.50    420.168  6490.48    395.509  215.671 8.0291  230.343 7.0765  -14.67111      10.70248 
1 1 1 -12 -21 36 o 184.791 4.6324  4158.78    207.706  4291.05    307.249  4047.46    281.870  187.301 6.7606  181.988 6.3833  5.313538       9.297956 
1 1 1 -12 -21 37 o 190.159 4.7787  4406.80    220.491  4268.00    325.278  4524.80    299.909  186.614 7.1837  192.340 6.4262  -5.726074      9.638546 
1 1 1 -12 -21 38 o 68.415  3.8208  571.452    63.172   843.713    103.026  407.414    79.970   82.994  5.1414  57.447  5.8173  25.54669       7.763694 
1 1 1 -12 -21 39 o 122.060 3.9791  1814.68    117.847  1701.51    179.210  1900.90    156.425  117.680 6.2990  124.757 5.1675  -7.076866      8.147414 
1 1 1 -12 -21 40 o 16.387  6.3254  21.498     35.645   -89.2153   58.892   85.504     44.779   13.039  6.2797  25.929  6.9680  -12.89023      9.380188 
1 1 1 -12 -21 41 o 31.098  5.4890  121.882    39.904   124.775    67.772   120.347    49.369   31.219  8.6489  30.681  6.8093  0.5377865      11.00771 
1 1 1 -12 -21 42 o 96.736  3.8309  1141.35    89.920   1054.59    140.400  1201.69    117.084  92.365  6.3023  99.099  4.8693  -6.733711      7.964221 
1 1 1 -12 -21 43 o 125.590 4.0449  1926.30    123.261  1969.73    190.470  1895.01    161.682  126.432 6.2088  124.254 5.3627  2.177376       8.204123 
1 1 1 -12 -21 44 o 63.353  4.0996  492.628    62.681   484.791    103.208  497.208    78.899   62.175  6.9606  63.433  5.1712  -1.257664      8.671267 
1 1 1 -12 -21 45 o 26.231  7.9424  86.925     54.894   103.692    91.597   77.528     68.573   29.723  10.352  25.873  8.9601  3.850569       13.69125 
1 1 1 -12 -21 46 o 65.568  5.7632  534.760    90.759   625.767    143.871  474.603    116.970  69.954  8.6613  61.001  8.1032  8.952713       11.86089 
1 1 1 -12 -21 47 o 62.216  5.8200  482.686    86.838   503.228    136.525  468.729    112.537  62.284  9.3203  60.648  7.8302  1.635750       12.17294 
1 1 1 -12 -21 48 o 93.326  4.0662  1067.28    92.078   1105.56    153.209  1045.63    115.204  93.941  6.7668  91.951  5.1847  1.990379       8.524699 
1 1 1 -12 -21 49 o 85.161  4.0863  889.116    84.437   971.435    143.565  845.582    104.403  87.981  6.7773  82.618  5.2351  5.362808       8.563710 
1 1 1 -12 -21 50 o 115.426 4.1813  1634.94    117.107  1591.34    189.177  1662.03    149.112  112.556 6.9610  115.980 5.2987  -3.424042      8.748246 
1 1 1 -12 -21 51 o 79.941  7.0122  807.192    134.641  0.0000     0.0000   807.192    134.641  ?       ?       79.941  7.0122  0.000000       7.012232 
1 1 1 -12 -21 52 o 19.878  7.7491  33.055     53.906   70.722     118.106  23.144     60.584   28.557  11.366  19.775  8.0451  8.782314       13.92500 
1 1 1 -12 -21 53 o 66.468  6.0433  555.804    96.400   485.463    182.292  583.112    113.582  58.410  13.176  67.683  7.0181  -9.273617      14.92847 
1 1 1 -12 -21 54 o 30.267  6.9950  120.201    50.341   167.791    105.467  106.160    57.288   35.161  11.074  28.371  7.9847  6.790329       13.65277 
1 1 1 -12 -21 55 o 70.358  4.4379  614.110    75.374   751.614    135.632  552.670    90.663   76.436  7.4060  66.256  5.6948  10.18005       9.342351 
1 1 1 -12 -21 56 o 57.289  4.8238  410.401    66.431   501.295    127.411  376.466    77.850   61.402  8.8038  54.413  5.9960  6.988678       10.65173 
1 1 1 -12 -21 57 o 45.647  6.0703  267.117    65.567   269.843    118.746  265.921    78.641   43.432  11.197  44.952  7.4724  -1.519939      13.46114 
1 1 1 -12 -21 58 o 52.665  5.8434  353.865    73.411   509.223    143.070  298.342    85.529   60.702  10.066  47.469  7.6887  13.23342       12.66669 
1 1 1 -12 -21 59 o 43.609  6.6988  248.154    68.615   394.977    135.974  197.994    79.476   52.547  11.017  37.955  8.8010  14.59233       14.10057 
1 1 1 -12 -21 60 o 51.249  8.3025  352.706    99.711   336.432    179.096  360.016    120.035  45.967  14.424  50.663  10.119  -4.696106      17.61911 
1 1 1 -12 -21 61 o 26.581  9.6108  86.937     79.594   129.455    154.890  71.681     92.781   32.841  13.033  26.086  10.167  6.754950       16.52988 
1 1 1 -12 -21 62 o 60.290  5.8840  463.712    84.979   606.802    168.037  414.543    98.503   65.483  10.963  56.187  7.4056  9.295803       13.23022 
1 1 1 -12 -21 63 o 73.702  5.4316  686.991    96.450   865.049    183.949  619.478    113.269  79.397  9.7535  69.152  6.8403  10.24502       11.91304 
1 1 1 -12 -21 64 o 36.351  10.326  189.363    95.344   138.242    276.101  196.285    101.594  36.808  16.139  36.848  10.718  -0.4015732E-01 19.37398 
1 1 1 -12 -21 65 o 46.489  19.682  450.236    383.642  450.236    383.642  0.0000     0.0000   46.489  19.682  ?       ?       0.000000       19.68187 
1 1 1 -12 -20 1  o 96.678  3.6570  1135.93    85.785   1113.59    124.716  1156.00    118.184  95.471  5.4060  97.323  5.0218  -1.852180      7.378563 
1 1 1 -12 -20 2  o 240.783 6.4459  7071.51    376.595  6919.29    461.391  7375.31    651.832  237.836 7.9952  244.663 10.980  -6.826157      13.58248 
1 1 1 -12 -20 3  o 154.833 5.9459  2921.48    223.382  2710.39    309.151  3152.10    323.132  148.528 8.6152  160.272 8.3380  -11.74394      11.98934 
1 1 1 -12 -20 4  o 358.203 15.190  16015.53   1320.24  16015.53   1320.24  0.0000     0.0000   358.203 15.190  ?       ?       0.000000       15.19010 
1 1 1 -12 -20 5  o 200.014 9.6312  4909.15    467.418  4909.15    467.418  0.0000     0.0000   200.014 9.6312  ?       ?       0.000000       9.631208 
1 1 1 -12 -20 6  o 159.646 8.5064  3128.14    328.322  3128.14    328.322  0.0000     0.0000   159.646 8.5064  ?       ?       0.000000       8.506404 
1 1 1 -12 -20 7  o 219.117 6.9409  5859.14    369.026  6575.42    533.747  5203.19    510.773  231.535 9.5007  205.785 10.229  25.75000       13.96082 
1 1 1 -12 -20 8  o 251.518 5.5266  7703.45    337.283  7999.77    486.510  7429.24    468.008  255.831 7.8375  246.543 7.8234  9.288208       11.07392 
1 1 1 -12 -20 9  o 93.365  3.3481  1059.00    75.847   1167.75    115.081  975.474    100.851  97.969  4.8412  89.429  4.6638  8.539696       6.722209 
1 1 1 -12 -20 10 o 139.548 3.8810  2366.86    131.410  2336.89    194.087  2392.24    178.566  138.507 5.7751  140.187 5.2496  -1.680069      7.804492 
1 1 1 -12 -20 11 o 230.646 5.1826  6475.08    290.042  6737.94    418.763  6232.71    402.108  234.895 7.3473  225.919 7.3354  8.975708       10.38230 
1 1 1 -12 -20 12 o 143.829 3.9406  2514.47    137.521  2426.87    202.607  2589.30    187.266  141.134 5.9164  145.842 5.2919  -4.708710      7.937780 
1 1 1 -12 -20 13 f 234.518 5.2451  6694.90    298.463  6945.18    431.195  6464.69    413.540  238.455 7.4525  230.068 7.4079  8.387253       10.50797 
1 1 1 -12 -20 14 o 141.303 3.8932  2426.82    133.481  2630.87    198.197  2257.45    180.572  146.982 5.5574  136.161 5.4656  10.82156       7.794667 
1 1 1 -12 -20 15 o 254.269 5.5572  7873.33    342.859  8314.26    494.144  7464.00    476.110  260.814 7.8083  247.087 7.9413  13.72716       11.13709 
1 1 1 -12 -20 16 o 115.689 4.8370  1628.40    135.780  0.0000     0.0000   1628.40    135.780  ?       ?       115.689 4.8370  0.000000       4.837049 
1 1 1 -12 -20 17 o 246.838 7.5907  7444.00    454.629  0.0000     0.0000   7444.00    454.629  ?       ?       246.838 7.5907  0.000000       7.590679 
1 1 1 -12 -20 18 o 138.388 5.2505  2331.26    176.306  0.0000     0.0000   2331.26    176.306  ?       ?       138.388 5.2505  0.000000       5.250539 
1 1 1 -12 -20 19 o 233.350 5.2380  6628.22    296.578  6917.63    429.097  6363.52    410.378  237.989 7.4308  228.262 7.4094  9.726212       10.49365 
1 1 1 -12 -20 20 o 144.483 3.9716  2537.46    139.236  2368.30    204.834  2682.76    189.838  139.407 6.0555  148.454 5.2702  -9.046738      8.027723 
1 1 1 -12 -20 21 o 229.687 5.2113  6421.48    290.435  6427.21    419.727  6416.21    402.302  229.378 7.5414  229.245 7.2325  0.1332855      10.44900 
1 1 1 -12 -20 22 o 139.521 3.9317  2366.07    133.102  2207.73    196.441  2500.46    180.978  134.604 6.0147  143.329 5.2039  -8.724701      7.953405 
1 1 1 -12 -20 23 o 100.773 5.0017  1235.76    122.299  1326.53    180.051  1158.01    166.640  103.999 7.1791  97.145  7.1191  6.853661       10.11045 
1 1 1 -12 -20 24 o 256.944 8.0339  8072.17    500.874  8072.79    716.130  8071.58    700.804  255.904 11.533  255.972 11.283  -0.6774902E-01 16.13475 
1 1 1 -12 -20 25 o 230.901 7.3815  6510.94    413.557  7068.37    592.434  5981.13    577.566  239.874 10.179  220.485 10.796  19.38911       14.83770 
1 1 1 -12 -20 26 o 150.060 4.6391  2739.05    168.914  2371.55    304.530  2902.35    203.004  138.828 9.0906  154.395 5.4189  -15.56682      10.58315 
1 1 1 -12 -20 27 o 203.162 4.7987  5021.61    236.554  5298.10    344.340  4774.51    325.528  208.383 6.8102  197.823 6.7818  10.55995       9.611059 
1 1 1 -12 -20 28 o 345.444 7.1953  14570.22   603.104  14789.91   863.485  14360.97   842.728  346.898 10.259  341.873 10.159  5.025024       14.43774 
1 1 1 -12 -20 29 o 139.576 3.9505  2368.13    133.792  2762.84    199.479  2045.38    180.381  150.626 5.4580  129.576 5.7372  21.05006       7.918678 
1 1 1 -12 -20 30 o 244.041 5.5730  7254.08    330.003  6774.27    477.723  7692.01    456.397  235.248 8.3692  250.898 7.4969  -15.64952      11.23599 
1 1 1 -12 -20 31 o 92.774  3.6791  1046.06    82.819   1003.59    126.780  1077.68    109.384  90.569  5.7995  93.985  4.8128  -3.415306      7.536387 
1 1 1 -12 -20 32 o 136.464 5.7745  2269.46    191.205  2116.91    294.173  2381.05    251.599  131.010 9.3148  139.374 7.4670  -8.364365      11.93823 
1 1 1 -12 -20 33 o 179.445 6.4574  3929.49    281.158  4069.40    423.664  3819.38    375.852  181.717 9.6432  176.478 8.7773  5.238464       13.03963 
1 1 1 -12 -20 34 o 172.842 6.3479  3645.96    266.224  3739.70    403.935  3573.97    353.987  174.136 9.5971  170.502 8.5839  3.634140       12.87587 
1 1 1 -12 -20 35 o 152.149 4.1961  2816.24    154.908  2985.93    231.648  2678.97    208.345  156.425 6.1032  148.209 5.7935  8.215790       8.415126 
1 1 1 -12 -20 36 o 182.060 4.6186  4035.82    204.029  4195.85    301.935  3901.34    276.783  185.263 6.7168  178.708 6.3831  6.554459       9.266022 
1 1 1 -12 -20 37 o 220.596 5.2071  5933.54    278.714  5998.10    408.464  5877.29    381.262  221.164 7.6116  219.056 7.1731  2.108047       10.45895 
1 1 1 -12 -20 38 o 39.245  4.9588  190.752    46.166   169.884    76.502   202.704    57.897   36.415  8.7640  40.273  6.1172  -3.857861      10.68776 
1 1 1 -12 -20 39 o 159.001 4.4027  3081.20    169.857  2945.94    254.476  3189.88    228.109  154.990 6.7667  161.505 5.8209  -6.514801      8.925919 
1 1 1 -12 -20 40 o 165.884 4.4513  3356.25    179.168  3426.15    268.569  3300.19    240.510  167.065 6.6253  164.128 6.0393  2.937515       8.964828 
1 1 1 -12 -20 41 o 95.340  3.8137  1107.69    88.223   1134.80    138.915  1089.36    114.214  96.008  5.9931  94.267  5.0114  1.741096       7.812274 
1 1 1 -12 -20 42 o 40.669  4.6688  204.766    45.236   217.559    75.857   197.706    56.353   41.258  7.8645  39.683  6.0434  1.574745       9.918333 
1 1 1 -12 -20 43 o 134.015 4.1655  2193.69    135.453  2127.88    207.509  2242.54    178.800  131.354 6.5107  135.176 5.4514  -3.822021      8.491578 
1 1 1 -12 -20 44 o 92.371  3.9212  1042.09    87.885   997.124    139.983  1071.35    112.912  89.622  6.4809  93.335  5.0040  -3.713219      8.187908 
1 1 1 -12 -20 45 o 86.815  5.5852  931.711    117.027  941.157    176.941  924.366    156.028  86.189  8.5746  85.809  7.5715  0.3800278      11.43905 
1 1 1 -12 -20 46 o 61.947  5.9365  478.210    88.137   463.436    135.859  488.946    115.817  59.697  9.7134  62.042  7.8704  -2.345791      12.50172 
1 1 1 -12 -20 47 o 37.547  7.3745  181.867    64.787   216.915    106.260  161.129    81.736   40.288  10.692  34.977  9.4203  5.311123       14.25029 
1 1 1 -12 -20 48 o 12.456  5.6661  -22.2490   37.521   -78.3926   79.616   -6.2199    42.541   16.547  7.7748  14.670  6.3860  1.876526       10.06125 
1 1 1 -12 -20 49 o 77.675  4.1307  741.670    77.572   852.142    132.434  683.972    95.709   82.439  6.6781  74.253  5.3480  8.185799       8.555574 
1 1 1 -12 -20 50 o 140.274 4.3589  2416.27    148.359  2621.69    233.760  2277.72    191.980  144.964 6.6458  135.547 5.8371  9.416672       8.845270 
1 1 1 -12 -20 51 o 32.566  8.0383  139.364    63.133   263.096    130.388  101.472    72.156   43.731  11.949  28.356  9.1846  15.37535       15.07074 
1 1 1 -12 -20 52 o 43.136  7.1148  239.453    71.871   278.505    145.020  226.738    82.748   44.618  12.756  41.486  8.5059  3.132141       15.33152 
1 1 1 -12 -20 53 o 74.132  5.9796  689.476    106.643  563.972    198.336  740.516    126.482  63.020  13.384  76.437  6.8938  -13.41697      15.05506 
1 1 1 -12 -20 54 o 80.325  4.3407  797.627    84.287   802.388    149.538  795.411    102.041  78.899  7.9180  79.852  5.2966  -0.9532700     9.526218 
1 1 1 -12 -20 55 f 53.337  5.3619  357.645    68.452   274.683    119.492  398.170    83.514   44.278  11.133  55.965  6.2571  -11.68643      12.77130 
1 1 1 -12 -20 56 o 24.052  7.9594  72.597     54.072   -55.9753   102.677  121.939    63.607   20.075  9.2226  30.155  8.3878  -10.08014      12.46645 
1 1 1 -12 -20 57 f 42.571  6.4879  234.408    64.898   289.278    115.454  209.063    78.468   45.319  10.675  39.357  8.4681  5.962143       13.62604 
1 1 1 -12 -20 58 o 49.064  6.4750  310.756    75.201   359.911    146.053  293.023    87.723   49.457  12.238  46.912  7.9932  2.544701       14.61681 
1 1 1 -12 -20 59 o 28.543  8.5030  109.948    63.296   2.5203     129.662  143.558    72.525   24.967  11.000  32.307  8.9460  -7.339737      14.17882 
1 1 1 -12 -20 60 o 69.063  7.0016  618.692    115.708  439.034    202.733  705.488    140.912  52.034  15.143  73.028  8.0882  -20.99434      17.16736 
1 1 1 -12 -20 61 f 29.406  9.8563  115.473    82.857   138.296    158.734  106.926    97.141   33.557  13.233  29.119  10.604  4.437809       16.95736 
1 1 1 -12 -20 62 o 26.820  8.3382  95.592     60.007   166.736    132.202  77.130     67.344   34.668  12.404  25.060  8.8651  9.607769       15.24640 
1 1 1 -12 -20 63 o 46.407  7.1634  283.116    78.065   154.925    161.845  321.983    89.118   34.533  13.437  49.264  7.7081  -14.73073      15.49076 
1 1 1 -12 -20 64 o 39.200  17.446  170.250    334.275  170.250    334.275  0.0000     0.0000   39.200  17.446  ?       ?       0.000000       17.44637 
1 1 1 -12 -20 65 o 66.143  8.8117  596.720    137.899  1015.22    396.551  539.150    147.079  67.827  21.486  61.748  10.171  6.079247       23.77170 
1 1 1 -12 -19 1  o 265.517 5.8992  8590.07    380.055  8474.24    542.396  8701.80    532.693  263.112 8.4959  266.694 8.2319  -3.581940      11.82985 
1 1 1 -12 -19 2  o 299.955 6.4570  10971.33   469.947  10398.68   668.995  11529.18   660.300  291.172 9.4691  306.796 8.8701  -15.62341      12.97468 
1 1 1 -12 -19 3  o 343.540 10.335  14503.09   861.529  14503.09   861.529  0.0000     0.0000   343.540 10.335  ?       ?       0.000000       10.33543 
1 1 1 -12 -19 4  o 99.345  7.1882  1210.96    172.103  1210.96    172.103  0.0000     0.0000   99.345  7.1882  ?       ?       0.000000       7.188212 
1 1 1 -12 -19 5  o 233.437 10.730  6701.84    607.755  6701.84    607.755  0.0000     0.0000   233.437 10.730  ?       ?       0.000000       10.72987 
1 1 1 -12 -19 6  o 130.135 5.2727  2061.37    166.490  1849.62    246.071  2240.14    226.099  122.695 8.3146  135.327 6.9087  -12.63248      10.81036 
1 1 1 -12 -19 7  o 199.652 6.5520  4860.67    317.402  5261.18    461.220  4500.34    437.469  207.210 9.1735  191.593 9.4103  15.61722       13.14177 
1 1 1 -12 -19 8  o 319.608 9.4697  12525.29   734.374  12860.02   1051.87  12206.98   1025.75  322.117 13.458  313.826 13.471  8.291473       19.04147 
1 1 1 -12 -19 9  o 217.341 4.9626  5747.68    261.705  6100.98    378.997  5425.69    361.814  223.599 6.9856  210.847 7.0722  12.75256       9.940540 
1 1 1 -12 -19 10 o 115.662 3.5582  1625.46    99.858   1752.32    149.156  1522.41    134.432  119.993 5.1229  111.856 4.9531  8.137314       7.125842 
1 1 1 -12 -19 11 o 162.055 4.0880  3192.51    160.745  3732.61    235.654  2722.53    219.825  175.080 5.5472  149.473 6.0611  25.60739       8.216353 
1 1 1 -12 -19 12 o 323.031 6.6796  12727.92   523.553  13833.99   749.266  11672.62   731.872  335.971 9.1912  308.405 9.7802  27.56537       13.42126 
1 1 1 -12 -19 13 o 311.342 6.5113  11820.50   491.891  12571.07   704.822  11107.81   686.807  320.306 9.0688  300.976 9.4046  19.33023       13.06479 
1 1 1 -12 -19 14 o 127.401 3.7193  1972.46    114.974  2292.93    172.066  1713.94    154.539  137.254 5.1666  118.652 5.3679  18.60286       7.450340 
1 1 1 -12 -19 15 o 144.174 5.3535  2530.55    187.279  0.0000     0.0000   2530.55    187.279  ?       ?       144.174 5.3535  0.000000       5.353511 
1 1 1 -12 -19 16 o 143.720 5.3447  2514.61    186.383  0.0000     0.0000   2514.61    186.383  ?       ?       143.720 5.3447  0.000000       5.344734 
1 1 1 -12 -19 17 o 120.535 4.9387  1767.85    144.441  0.0000     0.0000   1767.85    144.441  ?       ?       120.535 4.9387  0.000000       4.938692 
1 1 1 -12 -19 18 o 308.996 6.4664  11642.06   484.818  12599.21   695.132  10735.49   676.518  320.716 8.9327  295.887 9.4230  24.82892       12.98409 
1 1 1 -12 -19 19 o 321.322 6.7675  12595.17   527.630  12507.66   755.151  12678.64   737.524  319.264 9.7481  321.547 9.4530  -2.283203      13.57880 
1 1 1 -12 -19 20 o 158.050 4.0995  3036.67    157.212  3264.50    230.355  2838.03    215.092  163.707 5.7992  152.639 5.8076  11.06815       8.207229 
1 1 1 -12 -19 21 o 117.347 3.6421  1673.26    103.702  1709.58    154.395  1643.40    139.977  118.504 5.3696  116.216 4.9639  2.287285       7.312511 
1 1 1 -12 -19 22 o 214.280 4.9859  5587.00    259.232  5435.09    375.466  5725.37    358.352  210.985 7.3342  216.640 6.8172  -5.654633      10.01325 
1 1 1 -12 -19 23 o 329.844 9.8401  13350.70   787.540  13055.09   1120.62  13639.17   1107.01  324.163 14.247  331.598 13.759  -7.434631      19.80613 
1 1 1 -12 -19 24 o 209.604 6.9313  5360.33    352.514  5484.21    505.262  5242.83    492.061  211.405 9.8500  206.710 9.8106  4.695206       13.90217 
1 1 1 -12 -19 25 o 118.247 5.2787  1701.94    151.455  1571.19    220.352  1819.01    208.517  113.084 8.0840  121.885 7.0812  -8.801277      10.74680 
1 1 1 -12 -19 26 o 236.800 7.5625  6848.97    434.521  7080.35    621.046  6627.10    608.167  239.971 10.666  232.125 10.798  7.846130       15.17752 
1 1 1 -12 -19 27 o 96.089  3.5701  1121.87    83.238   1117.04    125.785  1125.64    111.023  95.633  5.4432  96.194  4.7567  -0.5613098     7.228743 
1 1 1 -12 -19 28 o 332.520 6.9792  13492.62   563.103  13598.45   806.873  13392.13   786.224  332.810 9.9918  330.346 9.8087  2.463531       14.00172 
1 1 1 -12 -19 29 o 275.973 6.0275  9280.65    403.617  9258.93    581.489  9300.84    560.680  274.992 8.7148  275.709 8.3811  -0.7163391     12.09091 
1 1 1 -12 -19 30 o 264.360 5.9062  8515.13    378.852  8105.31    546.909  8893.19    525.299  257.259 8.7615  269.676 8.0279  -12.41660      11.88323 
1 1 1 -12 -19 31 o 177.521 4.5445  3833.23    195.750  3780.15    287.942  3878.83    266.918  176.014 6.7421  178.379 6.1669  -2.365692      9.137103 
1 1 1 -12 -19 32 o 288.551 9.1165  10210.19   638.284  9358.56    928.958  10971.81   878.495  273.937 14.023  297.887 12.154  -23.95038      18.55711 
1 1 1 -12 -19 33 o 84.838  5.3293  879.961    109.147  847.515    178.454  899.353    137.961  82.651  9.0462  85.584  6.6969  -2.933350      11.25533 
1 1 1 -12 -19 34 o 211.037 7.2684  5443.48    372.185  5054.45    554.260  5762.95    502.270  201.981 11.355  216.558 9.5587  -14.57669      14.84302 
1 1 1 -12 -19 35 o 123.072 5.5528  1846.08    165.818  1993.23    261.879  1747.61    214.235  127.208 8.5339  119.301 7.4379  7.907028       11.32028 
1 1 1 -12 -19 36 o 216.956 5.1839  5735.34    272.893  5588.20    399.342  5864.25    373.783  213.598 7.7052  218.983 7.0347  -5.385284      10.43344 
1 1 1 -12 -19 37 o 111.669 4.6433  1518.62    125.811  1538.16    161.109  1488.08    201.411  112.095 5.9447  109.937 7.5971  2.157295       9.646462 
1 1 1 -12 -19 38 o 17.683  6.4587  30.898     36.077   -30.1994   61.433   63.061     44.573   16.374  7.3685  22.835  7.2002  -6.460783      10.30233 
1 1 1 -12 -19 39 o 8.0164  3.9776  -71.3232   29.520   -103.7870  52.997   -56.7202   35.545   11.497  5.6316  10.018  4.8379  1.479441       7.424350 
1 1 1 -12 -19 40 o 113.097 3.7212  1557.32    102.118  1537.81    147.164  1575.43    141.818  112.166 5.4073  113.570 5.1464  -1.403587      7.464858 
1 1 1 -12 -19 41 o 60.727  3.6014  450.665    52.830   465.275    74.465   435.859    74.964   61.499  5.0343  59.473  5.2486  2.025974       7.272717 
1 1 1 -12 -19 42 o 114.768 3.7434  1605.46    104.245  1570.95    149.480  1638.13    145.452  113.236 5.4405  115.684 5.1818  -2.448410      7.513317 
1 1 1 -12 -19 43 o 176.843 4.4674  3822.64    191.692  3893.26    275.723  3756.57    266.691  177.776 6.3920  174.668 6.2926  3.107712       8.969637 
1 1 1 -12 -19 44 o 111.991 3.7211  1530.49    101.115  1598.31    145.957  1467.90    140.214  114.113 5.2714  109.355 5.2843  4.757332       7.463995 
1 1 1 -12 -19 45 o 25.056  6.6249  80.492     40.891   110.657    50.534   23.276     69.596   29.283  7.1697  21.077  8.6041  8.206367       11.19978 
1 1 1 -12 -19 46 o 22.053  6.7246  60.703     39.250   -15.3501   48.091   212.440    67.928   14.982  6.6450  40.773  7.1256  -25.79080      9.743242 
1 1 1 -12 -19 47 o 39.940  5.2287  199.601    49.455   179.819    60.844   238.112    84.895   37.450  6.9517  42.790  8.4765  -5.339466      10.96254 
1 1 1 -12 -19 48 f 43.962  4.3227  239.206    45.515   289.495    64.546   189.471    64.190   48.099  5.6375  38.385  7.1552  9.713993       9.109197 
1 1 1 -12 -19 49 o 54.320  3.9747  363.245    52.024   332.360    74.114   393.243    73.042   51.447  6.0529  56.191  5.4247  -4.744076      8.127977 
1 1 1 -12 -19 50 o 59.273  3.5872  431.208    51.348   400.588    68.733   469.880    77.243   56.799  5.0396  61.499  5.2259  -4.700089      7.260035 
1 1 1 -12 -19 51 o 27.015  8.3042  93.213     59.711   57.636     127.360  103.236    67.601   28.591  11.652  28.408  8.8530  0.1829910      14.63354 
1 1 1 -12 -19 52 o 52.007  6.6772  343.482    82.314   390.061    157.870  326.091    96.464   52.921  12.495  50.094  8.2216  2.827663       14.95690 
1 1 1 -12 -19 53 o 58.514  7.0097  436.497    97.543   417.693    181.273  444.160    115.725  53.863  13.806  58.439  8.4030  -4.575836      16.16221 
1 1 1 -12 -19 54 o 96.707  4.4512  1153.61    104.447  1054.09    172.598  1211.11    131.196  90.544  7.9363  98.516  5.5105  -7.972221      9.661788 
1 1 1 -12 -19 55 o 69.239  4.8453  596.873    80.889   500.916    142.762  642.245    98.167   60.932  10.003  71.488  5.7069  -10.55663      11.51682 
1 1 1 -12 -19 56 o 45.663  6.0363  266.136    65.241   102.872    117.272  339.312    78.512   30.158  11.515  51.489  6.4241  -21.33075      13.18595 
1 1 1 -12 -19 57 o 49.044  5.7790  305.966    67.451   344.944    124.841  289.897    80.158   49.627  10.684  47.119  7.2431  2.508495       12.90753 
1 1 1 -12 -19 58 o 33.384  8.5338  151.799    69.391   153.845    133.305  151.039    81.270   33.960  12.413  33.082  9.5760  0.8782539      15.67780 
1 1 1 -12 -19 59 o 43.507  7.1783  248.897    73.134   245.516    152.375  249.909    83.364   40.449  13.360  43.082  8.2756  -2.632679      15.71556 
1 1 1 -12 -19 60 o 72.581  7.1701  684.004    124.622  680.567    212.015  685.819    154.043  67.272  13.459  71.296  9.1130  -4.023926      16.25371 
1 1 1 -12 -19 61 o 53.981  8.1591  388.011    103.534  493.217    197.505  348.146    121.577  56.132  14.424  49.750  10.406  6.381313       17.78551 
1 1 1 -12 -19 62 o 29.649  8.2894  119.049    61.958   -107.7270  141.799  172.561    68.881   21.966  10.338  35.706  8.1323  -13.74080      13.15349 
1 1 1 -12 -19 63 o 40.483  13.629  248.569    158.431  248.569    158.431  0.0000     0.0000   40.483  13.629  ?       ?       0.000000       13.62889 
1 1 1 -12 -19 64 o 53.321  20.214  590.751    359.724  590.751    359.724  0.0000     0.0000   53.321  20.214  ?       ?       0.000000       20.21365 
1 1 1 -12 -19 65 o 69.875  8.5061  660.146    141.242  833.300    398.763  635.307    151.034  59.894  21.531  67.761  9.4426  -7.867474      23.51048 
1 1 1 -12 -18 1  o 228.873 6.1029  6383.23    338.920  6406.10    421.099  6341.18    571.067  229.010 7.5782  227.179 10.360  1.830582       12.83572 
1 1 1 -12 -18 2  o 189.688 4.5813  4376.06    210.858  4474.09    308.419  4290.03    288.931  191.542 6.6361  187.602 6.3474  3.940262       9.182964 
1 1 1 -12 -18 3  o 226.851 7.5285  6284.61    414.393  6284.61    414.393  0.0000     0.0000   226.851 7.5285  ?       ?       0.000000       7.528483 
1 1 1 -12 -18 4  o 186.747 6.6252  4252.64    300.206  4252.64    300.206  0.0000     0.0000   186.747 6.6252  ?       ?       0.000000       6.625229 
1 1 1 -12 -18 5  o 81.363  4.5940  807.654    90.324   793.505    137.083  818.508    120.074  80.329  7.1064  81.737  6.0982  -1.407738      9.364291 
1 1 1 -12 -18 6  o 114.137 4.9027  1584.90    135.775  1850.28    203.258  1371.06    182.453  122.973 6.8390  105.754 7.1524  17.21900       9.895928 
1 1 1 -12 -18 7  o 149.539 5.5651  2722.83    201.925  2890.26    297.942  2580.61    274.612  153.564 8.0240  145.118 7.8279  8.445847       11.20980 
1 1 1 -12 -18 8  o 230.139 7.2589  6465.60    405.347  6947.01    586.925  6026.58    560.483  237.846 10.170  221.461 10.430  16.38536       14.56787 
1 1 1 -12 -18 9  o 138.981 5.4081  2351.54    182.375  2430.18    270.601  2286.09    246.864  140.783 7.9542  136.618 7.4754  4.164886       10.91562 
1 1 1 -12 -18 10 o 5.5242  2.7274  -29.7056   13.264   -43.9146   31.854   -26.7252   14.589   9.8749  4.7199  6.1790  3.0110  3.695926       5.598480 
1 1 1 -12 -18 11 o 176.455 4.3695  3786.02    187.079  3778.66    272.819  3792.55    257.026  176.057 6.3864  176.430 6.0040  -0.3726044     8.765512 
1 1 1 -12 -18 12 o 40.528  3.5113  201.055    34.188   250.256    56.892   173.245    42.772   45.034  5.3085  37.431  4.8215  7.603367       7.171289 
1 1 1 -12 -18 13 o 347.970 7.1929  14779.18   607.310  15101.65   867.729  14469.56   850.271  350.677 10.198  343.255 10.209  7.421753       14.42979 
1 1 1 -12 -18 14 o 226.438 7.1076  6257.41    390.516  0.0000     0.0000   6257.41    390.516  ?       ?       226.438 7.1076  0.000000       7.107647 
1 1 1 -12 -18 15 o 36.579  4.9597  165.757    42.886   0.0000     0.0000   165.757    42.886   ?       ?       36.579  4.9597  0.000000       4.959733 
1 1 1 -12 -18 16 o 232.119 7.2428  6576.82    407.928  0.0000     0.0000   6576.82    407.928  ?       ?       232.119 7.2428  0.000000       7.242826 
1 1 1 -12 -18 17 o 361.377 7.4346  15946.43   651.904  16471.57   931.202  15441.69   912.931  366.115 10.482  354.427 10.616  11.68802       14.91893 
1 1 1 -12 -18 18 o 38.697  3.8034  183.725    35.250   267.369    55.847   128.336    45.446   46.609  5.0173  31.929  6.0883  14.67959       7.889260 
1 1 1 -12 -18 19 o 177.231 4.4441  3819.68    191.110  3452.35    278.216  4147.86    262.969  168.229 6.8158  184.528 5.8733  -16.29854      8.997235 
1 1 1 -12 -18 20 o 9.8521  4.4887  -15.4188   23.665   17.454     39.324   -34.0826   29.631   16.549  6.5672  9.9460  4.6947  6.602564       8.072661 
1 1 1 -12 -18 21 o 142.355 3.9502  2463.10    136.446  2417.52    200.683  2502.29    186.073  140.875 5.8710  143.374 5.3487  -2.498108      7.942124 
1 1 1 -12 -18 22 o 230.061 5.2280  6441.87    291.837  6510.65    421.282  6378.41    404.660  230.892 7.5197  228.579 7.2961  2.312943       10.47752 
1 1 1 -12 -18 23 o 156.550 4.1360  2979.25    157.106  3066.73    230.240  2903.03    214.914  158.660 5.9807  154.393 5.7368  4.266907       8.287338 
1 1 1 -12 -18 24 o 121.875 5.2982  1807.90    156.679  1855.11    227.186  1765.09    216.365  123.007 7.6497  120.004 7.4677  3.003090       10.69035 
1 1 1 -12 -18 25 f 75.916  5.0392  704.308    92.296   652.378    136.263  748.329    125.458  72.657  7.8543  78.054  6.6889  -5.397224      10.31651 
1 1 1 -12 -18 26 o 185.493 6.4471  4194.41    290.171  4494.83    416.504  3911.09    404.487  191.595 8.9592  178.405 9.3769  13.19002       12.96898 
1 1 1 -12 -18 27 o 225.737 5.2024  6201.53    284.954  6225.79    412.801  6179.46    393.838  225.792 7.5347  225.011 7.2136  0.7804718      10.43110 
1 1 1 -12 -18 28 o 177.991 4.4687  3852.49    192.993  4068.31    282.665  3664.03    264.142  182.689 6.3767  173.387 6.2785  9.301987       8.948835 
1 1 1 -12 -18 29 o 214.702 5.0401  5609.25    262.565  5665.58    381.782  5558.69    361.680  215.425 7.3039  213.440 6.9837  1.984634       10.10539 
1 1 1 -12 -18 30 o 229.431 5.2868  6407.46    294.312  6538.83    427.232  6288.82    406.018  231.359 7.6105  226.940 7.3734  4.418213       10.59657 
1 1 1 -12 -18 31 o 155.564 4.2725  2942.52    161.270  2850.36    238.532  3020.11    218.873  152.894 6.4297  157.463 5.7286  -4.568283      8.611530 
1 1 1 -12 -18 32 o 107.208 3.7902  1396.91    98.594   1276.22    149.773  1489.21    130.975  102.151 6.0699  110.628 4.8793  -8.477303      7.787939 
1 1 1 -12 -18 33 o 174.912 6.4027  3731.40    271.737  3766.68    411.123  3704.04    362.114  174.873 9.7276  173.904 8.5817  0.9690704      12.97196 
1 1 1 -12 -18 34 o 72.415  5.4369  642.296    94.833   507.614    154.407  723.871    120.168  63.432  10.392  76.752  6.5142  -13.32033      12.26511 
1 1 1 -12 -18 35 o 41.112  6.9896  212.140    67.229   157.921    119.015  237.549    81.473   36.282  11.799  43.374  8.0374  -7.091850      14.27635 
1 1 1 -12 -18 36 o 156.725 4.1518  2987.90    157.884  2848.47    226.406  3119.88    220.283  152.789 6.1071  159.965 5.6754  -7.176010      8.337028 
1 1 1 -12 -18 37 o 58.703  4.3130  421.632    61.004   416.510    74.200   432.315    107.162  58.216  5.3113  58.920  7.6781  -0.7042770     9.336169 
1 1 1 -12 -18 38 o 74.653  3.5616  677.747    64.514   648.998    92.493   704.985    90.030   72.761  5.2748  75.900  4.9150  -3.138786      7.209705 
1 1 1 -12 -18 39 o 76.907  3.5507  719.518    66.258   730.130    95.039   709.483    92.423   77.195  5.1028  76.101  5.0337  1.093857       7.167702 
1 1 1 -12 -18 40 o 89.751  3.5420  980.281    77.134   934.787    110.811  1023.04    107.435  87.327  5.2541  91.436  4.8599  -4.108963      7.157080 
1 1 1 -12 -18 41 o 89.634  3.5970  978.281    78.231   958.400    111.267  997.716    110.014  88.392  5.2109  90.223  5.0456  -1.831589      7.253396 
1 1 1 -12 -18 42 o 47.287  3.9216  274.470    44.589   259.340    63.245   289.423    62.873   45.624  5.8477  48.313  5.4592  -2.688763      7.999894 
1 1 1 -12 -18 43 o 108.328 3.6378  1430.58    95.618   1505.38    137.758  1361.04    132.827  110.862 5.1212  105.399 5.1938  5.463051       7.293945 
1 1 1 -12 -18 44 o 134.898 4.0056  2222.27    131.109  2193.84    189.053  2248.61    181.982  133.544 5.8344  135.291 5.5437  -1.747375      8.048127 
1 1 1 -12 -18 45 o 82.439  4.7392  835.611    94.399   861.852    122.811  797.719    147.576  83.367  6.1139  79.669  7.7315  3.697685       9.856820 
1 1 1 -12 -18 46 o 111.635 5.0573  1531.18    136.988  1611.08    181.152  1424.46    209.354  113.837 6.5865  106.320 8.1780  7.516747       10.50058 
1 1 1 -12 -18 47 o 50.854  5.0109  320.912    61.028   402.546    75.996   172.669    102.409  56.871  5.5790  36.257  10.819  20.61443       12.17281 
1 1 1 -12 -18 48 o 71.553  3.6948  627.567    63.929   592.192    92.716   659.629    88.267   69.046  5.5819  73.055  5.0098  -4.008934      7.500376 
1 1 1 -12 -18 49 o 105.591 3.8113  1364.23    97.649   1272.42    140.077  1451.02    136.198  101.287 5.7231  108.511 5.1729  -7.224617      7.714408 
1 1 1 -12 -18 50 o 58.264  3.9186  417.563    55.076   411.843    77.454   423.413    78.332   57.447  5.6289  58.261  5.6104  -0.8139801     7.947386 
1 1 1 -12 -18 51 o 13.818  6.5856  -76.3269   61.102   -24.0651   103.331  -104.4258  75.768   21.950  9.7378  14.973  7.1890  6.977024       12.10398 
1 1 1 -12 -18 52 o 33.667  9.5974  150.518    82.220   298.892    144.588  79.611     99.953   46.312  12.553  27.963  10.642  18.34853       16.45681 
1 1 1 -12 -18 53 o 22.999  7.1691  66.641     44.326   87.610     50.052   -9.5962    95.437   26.001  7.5118  21.704  9.5032  4.296736       12.11361 
1 1 1 -12 -18 54 o 19.256  6.8636  41.035     40.440   67.615     48.990   -15.8173   71.649   23.305  7.5695  18.397  8.1377  4.908260       11.11394 
1 1 1 -12 -18 55 o 53.277  4.4795  352.963    57.370   316.865    76.367   399.727    86.921   49.799  6.4731  55.997  6.5193  -6.197681      9.187076 
1 1 1 -12 -18 56 o 20.067  6.5683  49.512     36.860   100.271    44.434   -62.5070   66.009   27.618  6.6993  15.068  7.0800  12.54943       9.747116 
1 1 1 -12 -18 57 o 57.401  5.3459  415.080    73.600   395.524    131.460  424.008    88.826   53.364  10.527  57.536  6.4751  -4.171989      12.35865 
1 1 1 -12 -18 58 o 138.821 4.9469  2402.80    166.632  2461.73    276.886  2369.34    208.644  136.917 8.3748  136.720 6.2894  0.1969757      10.47346 
1 1 1 -12 -18 59 o 99.378  4.8873  1231.72    117.848  1124.53    208.176  1282.27    142.961  91.186  9.5506  100.636 5.8802  -9.449951      11.21563 
1 1 1 -12 -18 60 o 26.980  9.9617  86.574     86.172   284.894    170.516  18.554     99.862   43.006  14.130  23.258  9.9502  19.74764       17.28154 
1 1 1 -12 -18 61 o 21.800  8.7764  37.332     71.266   -204.4043  162.129  95.226     79.343   21.247  10.279  27.438  9.6304  -6.191246      14.08528 
1 1 1 -12 -18 62 o 39.298  7.7952  206.408    71.706   148.747    163.447  220.152    79.795   34.472  13.478  40.332  8.4255  -5.860504      15.89495 
1 1 1 -12 -18 63 o 19.280  9.2886  -159.3100  129.116  -159.3100  129.116  0.0000     0.0000   19.280  9.2886  ?       ?       0.000000       9.288551 
1 1 1 -12 -18 64 o 41.910  18.075  259.412    334.541  259.412    334.541  0.0000     0.0000   41.910  18.075  ?       ?       0.000000       18.07519 
1 1 1 -12 -17 1  o 201.098 4.7154  4918.76    230.088  5235.78    336.225  4639.54    315.546  207.212 6.6873  195.060 6.6670  12.15199       9.442936 
1 1 1 -12 -17 2  o 244.684 7.9386  7315.73    471.318  7315.73    471.318  0.0000     0.0000   244.684 7.9386  ?       ?       0.000000       7.938612 
1 1 1 -12 -17 3  o 145.551 5.8815  2580.32    207.713  2580.32    207.713  0.0000     0.0000   145.551 5.8815  ?       ?       0.000000       5.881456 
1 1 1 -12 -17 4  o 188.556 4.6099  4323.83    210.908  4036.19    307.964  4577.91    289.435  181.891 6.9779  193.833 6.1540  -11.94160      9.303936 
1 1 1 -12 -17 5  o 30.786  3.7812  116.903    27.651   169.624    49.685   93.247     33.282   36.890  5.7372  27.227  5.2279  9.663427       7.761834 
1 1 1 -12 -17 6  o 115.420 5.0146  1620.92    140.436  1639.14    210.686  1606.35    188.392  115.612 7.5520  114.561 6.8080  1.051414       10.16766 
1 1 1 -12 -17 7  o 200.938 6.7235  4924.25    327.808  4771.51    477.368  5060.55    450.941  196.921 10.024  203.247 9.1439  -6.326675      13.56794 
1 1 1 -12 -17 8  o 102.555 4.8057  1279.40    119.586  1441.38    181.209  1154.44    159.167  108.481 6.9204  97.054  6.8019  11.42746       9.703508 
1 1 1 -12 -17 9  o 184.553 6.3125  4151.06    282.674  4355.70    414.720  3973.49    386.312  188.592 9.0629  180.169 8.8368  8.422943       12.65798 
1 1 1 -12 -17 10 o 37.763  3.5234  174.758    31.912   251.521    52.530   129.856    40.175   45.212  4.8649  32.243  5.3208  12.96929       7.209577 
1 1 1 -12 -17 11 o 39.019  3.5035  186.447    32.816   173.473    54.189   193.960    41.238   37.239  6.2164  39.706  4.3516  -2.467182      7.588155 
1 1 1 -12 -17 12 o 165.777 4.1691  3340.55    167.701  3651.68    245.355  3067.76    229.743  173.166 5.8394  158.705 5.9661  14.46071       8.348220 
1 1 1 -12 -17 13 o 101.354 4.6106  1249.18    113.387  0.0000     0.0000   1249.18    113.387  ?       ?       101.354 4.6106  0.000000       4.610620 
1 1 1 -12 -17 14 o 229.832 7.2027  6444.77    401.669  0.0000     0.0000   6444.77    401.669  ?       ?       229.832 7.2027  0.000000       7.202672 
1 1 1 -12 -17 15 o 229.431 7.2087  6422.33    401.303  0.0000     0.0000   6422.33    401.303  ?       ?       229.431 7.2087  0.000000       7.208706 
1 1 1 -12 -17 16 o 123.838 3.7070  1863.34    111.387  2312.82    167.421  1506.38    149.198  137.882 5.0042  111.243 5.5275  26.63883       7.456215 
1 1 1 -12 -17 17 o 166.214 4.2191  3358.34    170.157  3529.20    248.408  3207.30    233.555  170.218 6.0145  162.278 5.9315  7.939484       8.447277 
1 1 1 -12 -17 18 o 32.091  4.2409  127.358    32.213   135.287    51.027   122.104    41.536   32.727  6.6526  31.185  5.6993  1.541386       8.760059 
1 1 1 -12 -17 19 o 32.627  4.2271  131.564    32.678   163.523    52.083   110.816    41.965   36.137  6.1608  29.628  6.0422  6.509224       8.629254 
1 1 1 -12 -17 20 o 183.513 4.5128  4095.24    200.943  4054.06    291.859  4132.35    277.070  182.347 6.5965  184.152 6.2008  -1.805481      9.053356 
1 1 1 -12 -17 21 o 102.166 3.5410  1268.16    87.779   1314.27    130.892  1230.48    118.333  103.920 5.1910  100.573 4.8491  3.346962       7.103503 
1 1 1 -12 -17 22 o 196.379 4.7394  4690.90    225.829  4500.41    327.566  4863.45    311.760  192.052 7.0294  199.740 6.4327  -7.688538      9.528451 
1 1 1 -12 -17 23 o 108.018 3.6103  1417.69    94.623   1479.06    141.330  1367.82    127.389  110.237 5.2838  106.032 4.9514  4.205688       7.241188 
1 1 1 -12 -17 24 o 35.085  6.7606  155.151    55.466   203.164    84.552   118.882    73.487   39.964  8.9429  30.931  9.1501  9.032782       12.79448 
1 1 1 -12 -17 25 o 181.754 6.4091  4026.45    282.649  3892.61    405.066  4153.46    394.591  177.989 9.4127  184.214 8.8280  -6.225677      12.90475 
1 1 1 -12 -17 26 o 140.421 5.6539  2400.86    192.638  2361.36    278.570  2437.06    266.683  138.728 8.3141  141.031 7.8239  -2.302933      11.41652 
1 1 1 -12 -17 27 o 236.921 5.3697  6832.14    308.687  6882.56    446.468  6785.96    427.265  237.376 7.7516  235.761 7.4690  1.614899       10.76442 
1 1 1 -12 -17 28 o 180.867 4.3823  3977.42    192.321  3876.91    274.502  4074.31    269.533  178.355 6.3430  182.874 6.0743  -4.518784      8.782407 
1 1 1 -12 -17 29 o 240.832 5.4488  7060.53    318.405  6946.96    453.775  7170.68    446.889  238.455 7.8428  242.315 7.6007  -3.860626      10.92155 
1 1 1 -12 -17 30 o 277.552 5.9307  9384.09    399.404  9534.32    568.878  9238.05    560.892  279.195 8.3975  274.819 8.4114  4.375732       11.88566 
1 1 1 -12 -17 31 o 446.359 9.1276  24409.58   988.560  24451.91   1402.58  24367.79   1393.53  444.518 13.004  443.794 12.941  0.7233276      18.34597 
1 1 1 -12 -17 32 o 122.012 3.7710  1809.20    111.640  1685.36    160.190  1926.15    155.672  117.639 5.6120  125.804 5.0998  -8.165016      7.583058 
1 1 1 -12 -17 33 o 169.222 6.3286  3491.59    259.854  3374.32    392.508  3583.10    346.716  165.495 9.8185  171.109 8.3510  -5.613541      12.88959 
1 1 1 -12 -17 34 o 118.252 5.5912  1703.44    160.428  1646.52    251.742  1742.37    208.175  115.536 9.0524  119.218 7.2307  -3.682198      11.58573 
1 1 1 -12 -17 35 o 241.090 7.8277  7111.57    457.904  7201.85    676.816  7035.36    621.822  241.419 11.554  238.913 10.727  2.506851       15.76569 
1 1 1 -12 -17 36 f 101.426 3.6045  1250.46    88.707   1314.25    126.725  1189.17    124.213  103.886 5.0274  98.670  5.2067  5.216385       7.237681 
1 1 1 -12 -17 37 o 65.767  3.5980  527.417    57.198   533.324    80.912   521.516    80.869   65.969  5.0943  65.223  5.1519  0.7460709      7.245310 
1 1 1 -12 -17 38 o 12.563  5.4016  -2.5123    29.693   -31.8261   40.445   31.757     43.730   12.485  5.7552  18.784  7.0645  -6.298677      9.112006 
1 1 1 -12 -17 39 o 69.280  3.5923  585.417    60.181   540.327    86.350   628.003    83.918   66.318  5.4134  71.609  4.8585  -5.291405      7.273920 
1 1 1 -12 -17 40 o 70.919  3.5876  613.615    61.535   635.564    87.861   592.484    86.210   71.985  5.0625  69.476  5.1506  2.508659       7.222044 
1 1 1 -12 -17 41 o 120.879 3.8197  1779.79    112.032  1803.37    160.664  1757.47    156.301  121.426 5.4531  119.885 5.3732  1.541229       7.655544 
1 1 1 -12 -17 42 o 128.174 3.8470  2002.37    119.642  1929.17    171.971  2071.03    166.559  125.475 5.6485  130.088 5.2767  -4.613594      7.729800 
1 1 1 -12 -17 43 o 124.939 3.8778  1903.95    117.557  1925.53    169.234  1883.84    163.421  125.291 5.5668  123.959 5.4333  1.331665       7.778806 
1 1 1 -12 -17 44 o 84.865  3.5967  878.289    74.061   880.197    106.214  876.484    103.322  84.564  5.2017  84.416  5.0678  0.1484451      7.262243 
1 1 1 -12 -17 45 o 63.945  4.7007  503.574    72.423   536.228    91.858   449.931    117.735  65.742  5.8185  59.442  8.3966  6.299946       10.21562 
1 1 1 -12 -17 46 o 50.099  5.0228  311.216    60.235   396.847    75.889   165.420    99.024   56.495  5.6103  35.632  10.640  20.86354       12.02861 
1 1 1 -12 -17 47 o 72.130  4.6992  641.137    81.794   659.554    104.178  611.538    132.071  72.829  5.9473  69.434  7.9846  3.395401       9.956061 
1 1 1 -12 -17 48 o 98.707  3.7200  1191.12    89.095   1236.73    129.070  1149.61    123.138  100.040 5.3365  96.461  5.2811  3.579285       7.507920 
1 1 1 -12 -17 49 o 148.116 4.2515  2689.39    152.793  2578.15    219.516  2793.93    212.804  144.143 6.2764  150.281 5.8360  -6.137634      8.570354 
1 1 1 -12 -17 50 o 145.045 4.2521  2580.28    149.647  2509.49    213.909  2648.14    209.426  142.176 6.2007  146.207 5.9034  -4.030716      8.561436 
1 1 1 -12 -17 51 o 78.319  6.4680  768.903    121.814  746.851    210.233  780.049    149.460  74.370  12.064  78.242  7.9845  -3.872574      14.46671 
1 1 1 -12 -17 52 o 69.600  6.6530  610.636    110.986  685.958    189.887  571.553    136.782  71.445  11.332  66.452  8.6914  4.992363       14.28129 
1 1 1 -12 -17 53 o 85.566  4.5228  904.349    93.569   869.321    112.730  981.929    167.767  83.495  5.5968  87.576  7.9828  -4.081169      9.749293 
1 1 1 -12 -17 54 o 15.991  6.3744  17.601     37.201   47.883     45.876   -40.5518   63.574   20.624  7.3147  15.842  7.2702  4.781686       10.31309 
1 1 1 -12 -17 55 o 61.825  4.2488  473.358    63.349   458.445    85.177   491.818    94.768   60.275  5.8997  62.258  6.3628  -1.983402      8.677075 
1 1 1 -12 -17 56 o 22.049  6.7268  62.156     39.269   83.700     47.350   14.691     70.281   25.293  7.3059  20.128  8.4674  5.164997       11.18357 
1 1 1 -12 -17 57 o 52.347  4.4776  341.770    56.324   350.808    74.372   329.614    86.251   52.509  5.9419  50.309  7.2770  2.199478       9.394731 
1 1 1 -12 -17 58 o 71.308  4.3142  631.870    74.293   539.765    102.549  733.607    107.778  64.851  6.6095  76.102  5.8824  -11.25173      8.848055 
1 1 1 -12 -17 59 o 92.621  4.1926  1061.85    94.223   900.694    134.207  1218.50    132.315  83.828  6.6528  98.336  5.5683  -14.50735      8.675584 
1 1 1 -12 -17 60 o 92.093  6.7269  1087.67    149.276  999.072    246.365  1139.07    187.643  82.956  12.639  92.869  8.4187  -9.912636      15.18611 
1 1 1 -12 -17 61 o 24.031  9.9600  37.537     95.120   151.296    171.627  -12.8977   114.277  34.958  13.768  23.024  10.226  11.93411       17.15044 
1 1 1 -12 -17 62 o 23.137  10.730  -78.1058   143.765  -78.1058   143.765  0.0000     0.0000   23.137  10.730  ?       ?       0.000000       10.72995 
1 1 1 -12 -17 63 o 31.731  12.515  116.509    142.010  116.509    142.010  0.0000     0.0000   31.731  12.515  ?       ?       0.000000       12.51533 
1 1 1 -12 -17 64 o 32.073  11.135  141.315    105.931  428.289    352.053  112.746    111.078  47.498  19.366  30.004  11.264  17.49322       22.40383 
1 1 1 -12 -16 1  o 101.088 5.3045  1247.03    129.654  1247.03    129.654  0.0000     0.0000   101.088 5.3045  ?       ?       0.000000       5.304479 
1 1 1 -12 -16 2  o 135.046 5.7243  2220.71    187.573  2220.71    187.573  0.0000     0.0000   135.046 5.7243  ?       ?       0.000000       5.724333 
1 1 1 -12 -16 3  f 200.697 4.7929  4899.38    233.402  4669.48    340.228  5103.76    320.788  195.619 7.1679  204.624 6.4610  -9.005157      9.650043 
1 1 1 -12 -16 4  o 31.971  4.1810  126.359    31.657   223.915    49.988   61.037     40.905   42.621  4.9244  22.379  6.8722  20.24199       8.454444 
1 1 1 -12 -16 5  f 132.357 3.8393  2128.93    123.300  1830.82    183.286  2375.36    166.646  122.422 6.1904  139.733 4.9151  -17.31118      7.904367 
1 1 1 -12 -16 6  o 226.033 5.0989  6216.63    279.649  6575.88    404.870  5888.87    386.722  232.137 7.1880  219.664 7.2557  12.47281       10.21331 
1 1 1 -12 -16 7  o 29.420  5.5536  108.822    38.191   83.992     65.829   121.419    46.889   26.762  8.7786  30.994  6.4449  -4.232525      10.89040 
1 1 1 -12 -16 8  o 91.717  4.7379  1025.77    105.079  1185.70    162.031  909.684    138.043  98.377  6.8303  86.131  6.6570  12.24610       9.537738 
1 1 1 -12 -16 9  o 102.609 4.7684  1280.42    118.719  1781.34    182.016  909.528    156.620  120.765 6.2329  85.995  7.5837  34.77063       9.816374 
1 1 1 -12 -16 10 o 42.786  4.9737  225.651    50.672   180.892    85.379   249.990    62.959   37.707  9.3724  44.928  5.9194  -7.221096      11.08514 
1 1 1 -12 -16 11 o 154.534 4.0268  2901.98    150.988  3095.76    221.572  2733.98    206.304  159.476 5.7260  149.873 5.6731  9.603317       8.060506 
1 1 1 -12 -16 12 o 210.595 6.7541  5405.13    345.129  0.0000     0.0000   5405.13    345.129  ?       ?       210.595 6.7541  0.000000       6.754129 
1 1 1 -12 -16 13 o 261.712 7.9805  8362.00    506.780  0.0000     0.0000   8362.00    506.780  ?       ?       261.712 7.9805  0.000000       7.980537 
1 1 1 -12 -16 14 o 350.286 10.237  15039.85   870.093  0.0000     0.0000   15039.85   870.093  ?       ?       350.286 10.237  0.000000       10.23716 
1 1 1 -12 -16 15 o 268.220 5.8274  8757.37    379.253  9098.52    545.304  8437.74    527.812  272.940 8.2339  262.832 8.2763  10.10699       11.67455 
1 1 1 -12 -16 16 o 222.436 5.0673  6018.06    273.490  6263.62    394.787  5791.47    379.230  226.636 7.1791  217.928 7.1717  8.707962       10.14757 
1 1 1 -12 -16 17 o 152.126 4.0622  2812.34    149.943  2776.18    219.245  2844.12    205.522  150.997 5.9841  152.873 5.5407  -1.876068      8.155269 
1 1 1 -12 -16 18 o 42.790  3.7245  224.133    38.285   212.676    59.688   232.142    49.902   41.344  6.1361  43.426  4.8171  -2.081665      7.800977 
1 1 1 -12 -16 19 o 90.121  3.4370  986.569    75.156   1087.79    112.785  905.721    100.796  94.440  4.9390  86.161  4.8410  8.279083       6.915844 
1 1 1 -12 -16 20 o 86.923  3.4509  917.826    72.782   1034.68    110.012  826.867    97.059   92.096  4.9411  82.306  4.8818  9.790077       6.945985 
1 1 1 -12 -16 21 o 32.090  4.5160  127.662    34.190   103.276    55.219   142.823    43.540   28.613  7.7583  33.825  5.4935  -5.211554      9.506267 
1 1 1 -12 -16 22 o 222.703 5.1351  6034.98    277.487  5984.75    401.013  6081.12    384.367  221.409 7.4645  223.252 7.0956  -1.842682      10.29880 
1 1 1 -12 -16 23 o 124.363 3.8228  1879.48    115.356  1676.62    170.655  2050.15    156.534  117.163 6.0233  129.813 4.9697  -12.64925      7.808835 
1 1 1 -12 -16 24 o 27.836  6.3448  98.190     41.900   44.406     52.616   191.419    69.273   21.297  7.7966  38.934  7.6056  -17.63753      10.89182 
1 1 1 -12 -16 25 f 184.463 6.2037  4145.93    277.667  4040.55    382.801  4262.94    403.367  181.731 8.6812  186.623 8.9078  -4.892731      12.43835 
1 1 1 -12 -16 26 o 121.799 4.9778  1804.77    147.112  1537.87    198.675  2128.73    218.886  112.015 7.3505  131.941 6.8608  -19.92619      10.05487 
1 1 1 -12 -16 27 o 90.961  3.7985  1005.40    83.836   1092.03    137.169  953.750    105.923  94.496  6.0137  88.406  4.9579  6.089882       7.793951 
1 1 1 -12 -16 28 o 64.165  3.4039  501.534    52.806   537.465    75.626   467.348    73.767   66.309  4.7315  61.784  4.9625  4.525696       6.856606 
1 1 1 -12 -16 29 o 67.021  3.4324  547.098    55.630   527.706    78.842   566.324    78.504   65.673  4.9849  68.069  4.7835  -2.395836      6.908780 
1 1 1 -12 -16 30 o 245.758 5.4831  7352.32    326.960  7007.06    465.344  7688.95    459.494  239.458 8.0090  250.941 7.5465  -11.48241      11.00427 
1 1 1 -12 -16 31 o 503.698 10.116  31143.22   1236.42  30648.92   1752.74  31632.82   1744.41  496.607 14.546  504.763 14.243  -8.155701      20.35781 
1 1 1 -12 -16 32 o 302.141 6.3627  11128.18   466.459  11340.96   663.396  10920.11   656.010  304.298 8.9848  298.576 9.0551  5.721497       12.75622 
1 1 1 -12 -16 33 o 159.173 6.1141  3087.79    236.138  3170.16    360.178  3025.69    312.726  160.548 9.2855  157.065 8.2345  3.482956       12.41077 
1 1 1 -12 -16 34 o 146.955 5.9282  2631.73    211.384  2634.22    324.044  2629.88    278.894  146.294 9.1753  146.448 7.8776  -0.1542358     12.09303 
1 1 1 -12 -16 35 o 306.516 9.6431  11540.85   717.191  10555.35   1043.42  12423.39   987.414  290.338 14.861  316.504 12.858  -26.16614      19.65115 
1 1 1 -12 -16 36 o 75.516  3.6047  693.149    66.049   718.957    93.626   667.581    93.192   76.674  5.0609  73.850  5.2346  2.823776       7.281071 
1 1 1 -12 -16 37 o 121.972 3.8458  1809.12    113.818  1737.51    163.105  1877.10    158.904  119.375 5.6311  124.115 5.2765  -4.740204      7.716910 
1 1 1 -12 -16 38 o 100.479 3.5965  1227.64    87.683   1270.49    125.628  1186.94    122.437  102.103 5.0709  98.551  5.1380  3.552574       7.218960 
1 1 1 -12 -16 39 o 139.964 3.9873  2384.28    135.414  2411.90    194.255  2358.17    188.866  140.539 5.6966  138.980 5.6006  1.559052       7.988613 
1 1 1 -12 -16 40 o 69.749  3.6236  593.604    61.115   609.643    86.498   577.614    86.361   70.495  5.0911  68.587  5.2287  1.908279       7.297870 
1 1 1 -12 -16 41 o 57.459  3.6917  403.641    51.196   393.922    71.440   413.902    73.404   56.532  5.2688  57.959  5.2774  -1.426720      7.457287 
1 1 1 -12 -16 42 o 34.858  4.6202  150.926    38.115   106.038    53.482   197.257    54.334   28.792  7.5592  39.711  5.8109  -10.91959      9.534536 
1 1 1 -12 -16 43 o 48.447  3.9288  288.144    45.787   315.039    65.035   261.713    64.472   50.422  5.3997  45.795  5.9423  4.627438       8.029149 
1 1 1 -12 -16 44 o 99.055  3.6733  1196.73    88.288   1154.24    127.323  1236.09    122.530  96.827  5.4414  100.311 5.0504  -3.483978      7.423957 
1 1 1 -12 -16 45 o 14.803  6.0873  8.9042     35.157   -31.1957   42.017   102.524    64.200   12.785  5.8830  28.452  8.5834  -15.66782      10.40603 
1 1 1 -12 -16 46 o 84.867  4.8658  886.554    99.779   1048.83    129.301  647.661    156.882  92.057  5.8186  71.065  9.3231  20.99229       10.98987 
1 1 1 -12 -16 47 o 78.978  4.7225  768.130    90.085   689.322    115.550  890.261    143.847  74.312  6.4730  84.293  7.0991  -9.981384      9.607184 
1 1 1 -12 -16 48 o 132.755 4.1215  2158.04    132.761  2018.51    188.421  2295.62    187.092  127.701 6.0810  136.368 5.6543  -8.667374      8.303561 
1 1 1 -12 -16 49 o 95.431  3.8598  1114.26    89.376   1082.69    125.003  1147.28    127.840  93.501  5.5345  96.272  5.4955  -2.770912      7.799457 
1 1 1 -12 -16 50 o 108.866 4.9440  1458.87    130.596  1505.63    267.872  1444.29    149.576  107.581 10.391  107.910 5.7332  -0.3289108     11.86789 
1 1 1 -12 -16 51 o 52.363  8.1787  353.872    100.515  198.033    165.784  444.458    126.396  39.329  13.910  58.370  9.2314  -19.04142      16.69428 
1 1 1 -12 -16 52 o 31.148  10.066  124.482    86.713   187.648    146.503  90.422     107.581  37.955  13.099  29.293  11.066  8.661442       17.14814 
1 1 1 -12 -16 53 f 53.018  4.4525  348.407    56.748   302.706    75.626   407.302    85.852   48.779  6.5555  56.773  6.3405  -7.994160      9.120129 
1 1 1 -12 -16 54 o 35.550  5.6899  160.986    47.426   144.960    60.525   186.476    76.333   33.157  7.6747  37.409  8.5907  -4.251747      11.51961 
1 1 1 -12 -16 55 o 22.061  6.8025  61.770     40.032   67.490     51.062   52.647     64.488   23.360  7.7349  22.734  8.5729  0.6256409      11.54653 
1 1 1 -12 -16 56 o 20.007  6.5458  49.174     36.609   29.058     46.347   82.549     59.699   18.449  7.1871  25.503  8.3596  -7.054218      11.02438 
1 1 1 -12 -16 57 o 86.121  3.9213  914.294    81.941   814.426    115.800  1014.45    115.965  80.241  5.9909  89.967  5.3361  -9.726089      8.022770 
1 1 1 -12 -16 58 o 64.361  4.3707  515.362    67.851   525.998    93.349   503.448    98.793   64.306  6.0539  62.632  6.6001  1.673542       8.956101 
1 1 1 -12 -16 59 o 67.629  4.3939  569.257    71.712   528.243    99.479   613.629    103.471  64.198  6.4746  69.376  6.2126  -5.177185      8.973109 
1 1 1 -12 -16 60 o 80.696  5.1286  816.606    99.897   820.323    121.976  809.031    174.096  80.214  6.3182  77.417  9.4652  2.796738       11.38023 
1 1 1 -12 -16 61 o 53.197  6.3782  363.318    80.687   363.318    80.687   0.0000     0.0000   53.197  6.3782  ?       ?       0.000000       6.378242 
1 1 1 -12 -16 62 o 36.277  7.2165  174.154    61.286   174.154    61.286   0.0000     0.0000   36.277  7.2165  ?       ?       0.000000       7.216501 
1 1 1 -12 -16 63 o 38.015  8.4281  196.415    75.702   482.589    166.037  121.315    85.057   57.359  12.299  30.057  9.9844  27.30139       15.84169 
1 1 1 -12 -16 64 o 36.913  11.322  198.121    111.058  461.892    274.966  146.704    121.401  50.188  17.896  32.806  11.868  17.38239       21.47392 
1 1 1 -12 -15 1  o 77.493  5.1430  733.867    96.155   733.867    96.155   0.0000     0.0000   77.493  5.1430  ?       ?       0.000000       5.143025 
1 1 1 -12 -15 2  o 198.314 4.7572  4783.38    228.914  4602.15    334.398  4943.20    314.029  194.221 7.0958  201.391 6.4264  -7.169067      9.573342 
1 1 1 -12 -15 3  o 269.618 5.8985  8853.72    385.879  8649.71    556.407  9042.77    535.618  265.906 8.6238  272.009 8.1154  -6.103424      11.84186 
1 1 1 -12 -15 4  o 302.998 6.4620  11189.82   475.084  11159.78   682.422  11218.07   661.793  301.839 9.3178  302.720 9.0098  -0.8813171     12.96141 
1 1 1 -12 -15 5  o 83.386  3.2637  844.539    66.033   974.096    101.107  748.174    87.199   89.377  4.6784  78.304  4.6098  11.07310       6.567937 
1 1 1 -12 -15 6  o 240.565 5.4145  7042.70    316.047  6769.60    456.311  7294.51    438.158  235.429 7.9880  244.504 7.3855  -9.075562      10.87906 
1 1 1 -12 -15 7  o 219.183 4.9962  5843.20    265.713  6103.37    384.757  5605.98    367.393  223.723 7.0878  214.417 7.0617  9.305893       10.00520 
1 1 1 -12 -15 8  o 141.071 5.4762  2421.51    187.448  2594.67    280.405  2281.61    252.041  145.576 7.9686  136.537 7.6384  9.039581       11.03830 
1 1 1 -12 -15 9  o 227.677 7.2454  6320.13    400.265  6772.87    582.890  5916.15    550.608  235.116 10.217  219.720 10.328  15.39612       14.52787 
1 1 1 -12 -15 10 o 264.366 8.2028  8531.59    526.177  8512.58    761.200  8548.99    728.151  263.171 11.921  263.887 11.372  -0.7155457     16.47496 
1 1 1 -12 -15 11 o 168.168 6.0278  3442.21    245.962  3580.30    364.001  3326.18    333.660  170.970 8.8043  164.852 8.3690  6.118576       12.14727 
1 1 1 -12 -15 12 o 314.299 9.2837  12075.92   707.992  0.0000     0.0000   12075.92   707.992  ?       ?       314.299 9.2837  0.000000       9.283697 
1 1 1 -12 -15 13 o 298.659 8.8973  10896.63   644.761  0.0000     0.0000   10896.63   644.761  ?       ?       298.659 8.8973  0.000000       8.897321 
1 1 1 -12 -15 14 o 311.376 6.5237  11806.61   492.883  12494.82   705.510  11150.47   688.871  319.763 9.0931  301.996 9.4010  17.76633       13.07908 
1 1 1 -12 -15 15 o 325.208 6.7825  12883.14   535.203  13963.32   765.989  11852.80   748.110  337.953 9.3412  311.218 9.9069  26.73495       13.61630 
1 1 1 -12 -15 16 o 178.807 4.4332  3885.74    192.341  3827.00    279.365  3938.67    265.208  177.271 6.4948  179.882 6.0763  -2.610138      8.894041 
1 1 1 -12 -15 17 o 271.333 5.9230  8960.68    389.950  8756.01    559.466  9154.07    543.812  267.735 8.6120  273.844 8.1843  -6.108307      11.88064 
1 1 1 -12 -15 18 o 232.815 5.2571  6593.16    296.977  6826.27    428.011  6376.75    412.401  236.583 7.4560  228.664 7.4329  7.918655       10.52805 
1 1 1 -12 -15 19 o 144.195 3.9776  2526.45    139.169  2557.79    204.043  2499.19    190.303  144.961 5.8011  143.316 5.4725  1.644257       7.974994 
1 1 1 -12 -15 20 o 221.923 5.0957  5990.80    274.390  6029.61    396.255  5955.06    380.326  222.325 7.3455  220.987 7.0929  1.337936       10.21108 
1 1 1 -12 -15 21 o 245.041 5.5118  7308.01    327.713  7108.61    466.361  7502.52    460.606  241.257 7.9667  247.913 7.6571  -6.657028      11.04988 
1 1 1 -12 -15 22 o 94.509  3.3682  1084.96    77.238   1111.29    110.350  1059.67    108.145  95.590  4.7577  93.219  4.7975  2.370918       6.756538 
1 1 1 -12 -15 23 o 306.822 6.5713  11475.64   489.217  11464.48   695.045  11486.60   688.713  305.923 9.3635  306.248 9.2683  -0.3247681     13.17482 
1 1 1 -12 -15 24 o 253.353 7.7553  7839.57    476.746  7514.42    662.984  8187.74    686.049  247.194 11.054  258.062 10.956  -10.86745      15.56350 
1 1 1 -12 -15 25 o 194.290 6.4493  4600.75    304.039  4619.40    419.287  4580.06    441.525  194.282 8.8944  193.353 9.4111  0.9292450      12.94907 
1 1 1 -12 -15 26 o 93.414  4.7993  1064.11    108.413  1375.57    144.912  668.208    163.382  106.147 5.6467  73.277  9.4062  32.87003       10.97099 
1 1 1 -12 -15 27 o 236.956 7.4491  6853.15    428.289  6945.51    593.809  6753.01    618.318  237.900 10.287  234.424 10.870  3.475922       14.96624 
1 1 1 -12 -15 28 o 331.947 6.9819  13439.21   562.351  13375.45   798.591  13501.93   792.020  330.255 9.9658  331.858 9.8360  -1.603760      14.00229 
1 1 1 -12 -15 29 o 42.071  3.8963  216.924    39.322   198.906    57.332   232.928    54.035   39.956  6.1075  43.441  5.2315  -3.485348      8.041786 
1 1 1 -12 -15 30 o 256.018 5.5841  7979.36    346.884  7976.93    493.932  7981.73    487.272  255.525 7.9666  255.626 7.8560  -0.1013489     11.18851 
1 1 1 -12 -15 31 o 96.025  5.3638  1125.76    124.474  1640.82    241.202  938.795    145.320  115.491 8.6706  87.464  6.9036  28.02649       11.08327 
1 1 1 -12 -15 32 o 145.668 4.0230  2579.11    142.192  2570.14    203.225  2587.71    199.021  145.272 5.7654  145.781 5.6265  -0.5091248     8.055884 
1 1 1 -12 -15 33 o 239.279 7.8840  6997.44    457.736  6621.06    674.607  7318.57    623.126  231.324 12.061  244.010 10.525  -12.68578      16.00709 
1 1 1 -12 -15 34 o 157.747 6.0834  3032.79    232.848  3224.72    356.495  2889.99    307.503  161.955 9.1088  153.471 8.2885  8.484604       12.31538 
1 1 1 -12 -15 35 f 194.500 6.8712  4617.97    324.275  4564.56    487.394  4660.40    434.362  192.315 10.484  194.921 9.1839  -2.605591      13.93801 
1 1 1 -12 -15 36 o 212.558 5.0267  5500.84    259.251  5501.19    370.105  5500.51    363.263  212.172 7.1891  212.187 7.0557  -0.1512146E-01 10.07300 
1 1 1 -12 -15 37 o 19.138  6.2518  42.955     33.400   23.918     45.841   64.496     48.763   18.215  7.1335  23.321  7.5500  -5.106045      10.38698 
1 1 1 -12 -15 38 o 73.583  3.5908  658.346    64.111   627.608    91.285   688.266    90.060   71.559  5.2950  74.998  4.9773  -3.438522      7.267102 
1 1 1 -12 -15 39 o 193.963 4.6715  4583.92    219.857  4603.41    314.596  4565.31    307.380  193.940 6.6853  193.168 6.5581  0.7723846      9.364933 
1 1 1 -12 -15 40 o 109.774 3.7484  1466.64    99.840   1477.75    142.822  1456.02    139.623  110.007 5.3507  109.206 5.2693  0.8011551      7.509683 
1 1 1 -12 -15 41 o 42.079  4.1982  217.927    42.292   200.536    59.769   235.365    59.850   39.962  6.3785  43.477  5.8194  -3.514297      8.634264 
1 1 1 -12 -15 42 o 21.869  5.9635  60.535     32.516   80.868     44.905   38.120     47.147   25.265  7.0548  19.874  7.3624  5.391245       10.19679 
1 1 1 -12 -15 43 o 57.265  3.7483  401.472    51.795   397.131    73.954   405.651    72.564   56.670  5.4453  57.313  5.2773  -0.6422539     7.582973 
1 1 1 -12 -15 44 o 27.706  5.3701  97.302     34.797   143.016    48.108   47.142     50.393   33.585  6.1292  21.202  7.6501  12.38353       9.802638 
1 1 1 -12 -15 45 o 23.035  6.7513  66.858     40.171   141.682    48.518   -96.2572   71.635   33.381  6.2191  14.750  7.0576  18.63050       9.406738 
1 1 1 -12 -15 46 o 82.800  4.7622  843.424    95.273   774.938    122.444  948.509    151.673  78.896  6.4527  87.060  7.2458  -8.164551      9.702506 
1 1 1 -12 -15 47 o 58.616  4.8458  424.616    68.302   397.039    85.901   472.019    112.624  56.279  6.4047  60.988  7.7885  -4.709351      10.08370 
1 1 1 -12 -15 48 o 61.179  4.1150  460.255    60.730   436.196    80.783   491.522    92.095   59.186  5.6955  62.737  6.1282  -3.550545      8.366238 
1 1 1 -12 -15 49 o 44.753  4.6631  248.509    49.892   244.157    64.759   254.865    78.258   43.973  6.2449  44.582  7.5007  -0.6092949     9.760058 
1 1 1 -12 -15 50 o 72.241  5.2541  646.709    91.467   680.921    193.466  636.861    103.800  71.454  11.553  71.446  6.0443  0.7865906E-02  13.03863 
1 1 1 -12 -15 51 o 50.418  8.4937  329.959    100.215  143.975    165.263  438.125    126.032  35.995  13.688  57.936  9.2785  -21.94103      16.53598 
1 1 1 -12 -15 52 f 34.716  9.8930  160.426    87.378   207.813    141.842  131.446    110.924  39.335  12.885  32.626  11.390  6.708813       17.19795 
1 1 1 -12 -15 53 o 47.157  4.6952  276.796    53.009   246.973    70.119   316.573    80.979   43.905  6.8020  49.788  6.8877  -5.883034      9.680278 
1 1 1 -12 -15 54 o 48.147  4.4736  288.173    51.666   323.268    69.582   245.049    77.132   50.635  5.7663  43.377  7.6057  7.257858       9.544427 
1 1 1 -12 -15 55 o 19.513  6.7347  44.337     38.724   -8.3518    49.914   123.997    61.374   15.663  6.8651  30.536  8.1366  -14.87259      10.64577 
1 1 1 -12 -15 56 o 77.425  4.0140  740.482    75.150   680.555    104.716  804.125    107.913  73.445  5.9265  80.033  5.5921  -6.588615      8.148375 
1 1 1 -12 -15 57 o 64.864  4.0475  521.062    63.385   455.357    87.799   592.584    91.603   59.826  6.1351  68.593  5.5514  -8.766582      8.273904 
1 1 1 -12 -15 58 o 47.680  4.9877  286.119    56.850   259.073    75.426   321.691    86.502   44.479  7.2377  49.577  7.4189  -5.098114      10.36459 
1 1 1 -12 -15 59 o 63.585  4.4485  503.616    68.200   473.667    93.475   537.704    99.726   60.802  6.4337  64.822  6.4251  -4.020096      9.092543 
1 1 1 -12 -15 60 f 44.565  6.0045  254.517    63.276   217.434    73.492   360.790    124.411  40.428  7.7743  50.845  10.434  -10.41755      13.01186 
1 1 1 -12 -15 61 o 57.938  6.4918  430.648    89.693   430.648    89.693   0.0000     0.0000   57.938  6.4918  ?       ?       0.000000       6.491765 
1 1 1 -12 -15 62 o 35.495  5.7308  162.040    47.674   142.726    59.232   197.571    80.336   32.650  7.6163  38.029  8.8692  -5.378925      11.69063 
1 1 1 -12 -15 63 o 36.081  8.9494  179.196    77.969   151.294    270.219  181.730    81.432   37.803  16.275  36.230  9.2355  1.572353       18.71245 
1 1 1 -12 -15 64 o 16.833  7.9561  -81.2427   85.614   230.571    249.411  -122.8911  91.152   39.745  16.264  16.094  7.7661  23.65081       18.02279 
1 1 1 -12 -14 1  o 211.702 10.301  5500.97    529.124  5500.97    529.124  0.0000     0.0000   211.702 10.301  ?       ?       0.000000       10.30073 
1 1 1 -12 -14 2  o 122.087 3.7578  1811.11    111.317  1551.57    166.716  2019.91    149.534  112.693 6.1199  128.871 4.7821  -16.17781      7.766756 
1 1 1 -12 -14 3  f 168.790 4.2544  3463.12    174.239  3710.96    256.593  3251.06    237.352  174.551 6.0584  163.385 5.9871  11.16620       8.517625 
1 1 1 -12 -14 4  o 311.018 6.5582  11787.87   494.915  12135.54   710.325  11459.85   689.953  314.867 9.2975  305.977 9.2932  8.889954       13.14562 
1 1 1 -12 -14 5  o 248.607 5.4476  7520.30    328.614  8118.55    474.395  6968.43    455.634  257.953 7.5794  238.933 7.8592  19.01981       10.91850 
1 1 1 -12 -14 6  o 217.877 4.9671  5772.54    262.589  6108.06    380.478  5467.38    362.861  223.863 7.0046  211.789 7.0611  12.07372       9.946035 
1 1 1 -12 -14 7  o 228.102 5.1297  6327.32    283.914  6675.92    410.485  6007.60    393.108  234.028 7.2288  221.995 7.2980  12.03288       10.27212 
1 1 1 -12 -14 8  o 86.345  4.7885  909.061    99.929   897.469    155.041  917.299    130.699  85.470  7.5538  86.584  6.2634  -1.113602      9.812746 
1 1 1 -12 -14 9  o 197.099 6.5591  4729.87    313.683  5223.49    460.371  4302.10    428.565  206.778 9.1757  187.383 9.4564  19.39432       13.17639 
1 1 1 -12 -14 10 o 255.092 7.9640  7934.83    492.940  8075.02    714.791  7807.70    680.703  256.635 11.479  252.434 11.113  4.200775       15.97724 
1 1 1 -12 -14 11 o 469.019 19.114  27453.19   2175.18  0.0000     0.0000   27453.19   2175.18  ?       ?       469.019 19.114  0.000000       19.11354 
1 1 1 -12 -14 12 o 93.427  4.5408  1060.64    102.936  0.0000     0.0000   1060.64    102.936  ?       ?       93.427  4.5408  0.000000       4.540792 
1 1 1 -12 -14 13 o 148.105 5.4403  2667.24    195.505  0.0000     0.0000   2667.24    195.505  ?       ?       148.105 5.4403  0.000000       5.440340 
1 1 1 -12 -14 14 o 108.842 3.5388  1438.62    93.458   1765.03    139.721  1174.33    125.724  120.511 4.7783  98.136  5.2996  22.37508       7.135633 
1 1 1 -12 -14 15 o 473.281 9.5631  27370.42   1098.21  26617.27   1561.37  28107.82   1544.96  464.912 13.841  478.014 13.320  -13.10187      19.20949 
1 1 1 -12 -14 16 o 251.906 5.5827  7717.94    341.232  7724.60    490.360  7711.68    475.150  251.679 8.0298  251.507 7.7860  0.1717224      11.18482 
1 1 1 -12 -14 17 o 203.503 4.7878  5033.87    236.413  5348.83    342.117  4746.00    327.069  209.579 6.7276  197.405 6.8284  12.17419       9.585797 
1 1 1 -12 -14 18 o 94.595  3.3839  1086.68    77.670   1152.18    111.006  1023.86    108.714  97.360  4.6990  91.640  4.9070  5.719627       6.794020 
1 1 1 -12 -14 19 o 232.200 5.2279  6557.35    294.543  6439.76    419.181  6672.03    413.963  229.807 7.5175  233.949 7.2925  -4.142700      10.47347 
1 1 1 -12 -14 20 o 214.571 4.9438  5598.57    257.391  5334.67    366.257  5856.08    361.796  209.181 7.2161  219.225 6.8016  -10.04414      9.916299 
1 1 1 -12 -14 21 o 253.676 5.5688  7831.15    342.770  7863.64    487.360  7799.35    482.181  253.806 7.9138  252.776 7.8616  1.029343       11.15493 
1 1 1 -12 -14 22 o 311.107 6.6588  11796.23   502.654  11732.29   713.665  11859.16   708.088  309.531 9.5022  311.238 9.3763  -1.707062      13.34941 
1 1 1 -12 -14 23 o 165.514 4.1868  3329.82    168.145  3257.20    239.646  3400.23    235.982  163.534 6.0395  167.109 5.8199  -3.575348      8.387248 
1 1 1 -12 -14 24 o 117.366 5.0294  1675.78    143.227  1770.23    193.073  1560.19    213.584  120.325 6.6388  112.754 7.8558  7.570236       10.28531 
1 1 1 -12 -14 25 o 206.114 6.7266  5179.58    336.407  5186.38    464.431  5172.09    487.942  205.786 9.3012  205.399 9.7905  0.3877258      13.50436 
1 1 1 -12 -14 26 f 241.308 7.6263  7108.88    446.529  7555.87    619.365  6625.10    644.351  248.143 10.287  232.046 11.444  16.09778       15.38791 
1 1 1 -12 -14 27 o 230.228 7.2378  6466.77    404.325  6190.11    559.267  6769.72    585.220  224.616 10.262  234.895 10.268  -10.27905      14.51656 
1 1 1 -12 -14 28 o 96.702  3.5033  1136.01    82.202   1104.75    117.562  1165.90    114.984  95.156  5.1104  97.908  4.8401  -2.751915      7.038686 
1 1 1 -12 -14 29 o 218.685 5.0375  5817.72    267.300  5866.32    380.835  5770.53    375.266  219.293 7.1573  217.503 7.1107  1.790039       10.08902 
1 1 1 -12 -14 30 o 109.089 3.6210  1445.82    95.846   1557.06    137.708  1341.31    133.484  113.134 5.0165  104.991 5.2398  8.143135       7.254013 
1 1 1 -12 -14 31 o 84.415  3.5318  865.705    72.340   841.557    103.446  888.817    101.199  83.006  5.1617  85.340  4.9079  -2.333969      7.122555 
1 1 1 -12 -14 32 o 129.719 3.8564  2044.88    121.381  2050.71    173.382  2039.27    169.984  129.791 5.5055  129.436 5.4124  0.3550720      7.720391 
1 1 1 -12 -14 33 o 69.632  5.6903  594.346    95.300   466.193    155.528  671.389    120.590  60.669  10.969  73.884  6.8030  -13.21529      12.90731 
1 1 1 -12 -14 34 o 148.080 5.9536  2671.71    213.915  2769.17    329.707  2600.85    281.113  150.062 9.0981  145.641 7.9853  4.420822       12.10540 
1 1 1 -12 -14 35 o 192.148 6.8323  4506.09    318.541  4442.86    479.578  4556.02    426.116  189.764 10.456  192.764 9.1104  -3.000656      13.86814 
1 1 1 -12 -14 36 o 175.031 4.9760  3729.44    211.328  3557.01    352.554  3826.14    264.017  170.161 8.5663  177.128 6.1430  -6.966888      10.54127 
1 1 1 -12 -14 37 o 97.326  3.6380  1151.48    85.912   1109.48    123.192  1191.25    119.872  95.275  5.3506  98.777  5.0179  -3.502045      7.335399 
1 1 1 -12 -14 38 o 98.997  3.6457  1191.67    87.573   1193.42    125.152  1189.98    122.581  98.816  5.2384  98.687  5.1370  0.1290283      7.336862 
1 1 1 -12 -14 39 o 203.976 4.8542  5070.83    240.250  5262.69    343.556  4887.21    336.097  207.337 6.8290  199.776 6.9336  7.561005       9.731894 
1 1 1 -12 -14 40 o 133.694 3.9920  2176.28    129.500  2245.82    185.893  2110.72    180.506  135.569 5.6512  131.427 5.6604  4.142456       7.998446 
1 1 1 -12 -14 41 o 104.811 3.6580  1337.41    93.028   1289.47    133.406  1382.78    129.792  102.570 5.3791  106.409 5.0269  -3.838959      7.362375 
1 1 1 -12 -14 42 o 68.495  3.7698  573.328    62.412   528.405    87.469   619.922    89.081   65.463  5.5593  71.008  5.2066  -5.544891      7.616710 
1 1 1 -12 -14 43 o 75.754  3.7564  699.602    69.047   638.478    95.679   766.028    99.742   71.963  5.5216  78.920  5.2384  -6.957397      7.611136 
1 1 1 -12 -14 44 o 92.412  3.7925  1041.87    85.039   977.641    119.157  1108.55    121.401  89.073  5.5407  94.931  5.2915  -5.858902      7.661564 
1 1 1 -12 -14 45 o 69.526  4.8387  595.157    81.120   606.778    102.341  575.516    133.051  69.909  6.0942  67.415  8.3098  2.494522       10.30496 
1 1 1 -12 -14 46 o 33.490  6.2061  142.751    48.574   121.834    58.300   190.229    87.835   30.670  7.8125  38.065  9.5313  -7.394623      12.32401 
1 1 1 -12 -14 47 o 61.091  4.8556  460.987    71.381   461.084    89.832   460.821    117.573  60.767  6.1785  60.088  8.2843  0.6781578      10.33459 
1 1 1 -12 -14 48 o 57.875  4.3503  412.720    60.644   372.752    78.040   473.648    96.353   54.600  5.9889  61.454  6.5633  -6.853638      8.885010 
1 1 1 -12 -14 49 o 58.961  4.3635  428.492    61.983   368.036    79.722   520.891    98.558   54.178  6.1748  64.504  6.3808  -10.32618      8.879361 
1 1 1 -12 -14 50 o 15.654  6.4227  11.044     39.026   -14.3680   45.195   85.539     77.381   14.513  6.4393  27.121  9.5111  -12.60768      11.48587 
1 1 1 -12 -14 51 o 24.102  9.0200  58.630     71.121   -144.2275  139.818  129.439    82.606   21.375  10.122  31.614  9.7756  -10.23812      14.07200 
1 1 1 -12 -14 52 f 37.395  8.3242  183.995    73.588   326.200    157.340  144.179    83.254   48.234  13.103  33.046  9.7288  15.18854       16.32024 
1 1 1 -12 -14 53 o 58.284  4.1116  419.329    57.774   476.487    79.461   355.226    84.150   61.794  5.3524  52.848  6.7139  8.945946       8.586302 
1 1 1 -12 -14 54 o 40.335  4.9469  204.144    47.400   200.234    64.385   208.770    70.040   39.319  7.0054  40.002  7.4914  -0.6822281     10.25657 
1 1 1 -12 -14 55 o 85.076  3.9611  890.418    81.769   833.477    116.156  946.357    115.129  81.426  5.9196  87.002  5.4817  -5.575607      8.067931 
1 1 1 -12 -14 56 o 58.639  4.1614  426.173    58.825   346.557    81.889   511.066    84.558   51.982  6.6445  63.753  5.5208  -11.77093      8.638779 
1 1 1 -12 -14 57 o 25.419  6.8105  85.010     42.853   121.224    52.561   13.213     74.008   30.225  7.2583  20.409  8.6428  9.815210       11.28638 
1 1 1 -12 -14 58 o 60.870  4.4909  461.665    65.860   442.119    89.743   484.480    96.955   58.777  6.3959  61.452  6.6061  -2.674946      9.194988 
1 1 1 -12 -14 59 o 47.158  4.9854  279.995    56.181   287.383    75.149   270.635    84.589   47.090  6.7719  45.117  8.0210  1.973164       10.49733 
1 1 1 -12 -14 60 o 19.934  7.5648  39.328     50.416   39.328     50.416   0.0000     0.0000   19.934  7.5648  ?       ?       0.000000       7.564850 
1 1 1 -12 -14 61 o 35.700  7.6502  169.850    64.274   169.850    64.274   0.0000     0.0000   35.700  7.6502  ?       ?       0.000000       7.650196 
1 1 1 -12 -14 62 o 41.517  5.2026  218.491    51.259   256.703    65.231   156.803    82.881   44.683  6.1822  33.698  9.6463  10.98526       11.45731 
1 1 1 -12 -14 63 f 33.836  11.243  159.858    107.845  73.122     265.495  176.998    118.021  35.103  15.589  35.322  11.762  -0.2191162     19.52894 
1 1 1 -12 -13 1  o 77.304  4.8508  729.671    90.527   696.608    138.556  754.298    119.579  75.150  7.7076  78.430  6.3378  -3.279129      9.978721 
1 1 1 -12 -13 2  o 99.821  3.4544  1210.36    83.669   1231.63    127.591  1194.32    110.823  100.477 5.2517  99.110  4.6084  1.367126       6.986947 
1 1 1 -12 -13 3  o 92.177  3.3595  1031.95    75.138   1064.35    114.472  1007.41    99.595   93.410  5.0696  91.034  4.5089  2.375954       6.784625 
1 1 1 -12 -13 4  o 128.203 3.7035  1996.56    115.207  2204.07    171.588  1826.24    155.457  134.614 5.2533  122.535 5.2286  12.07851       7.411859 
1 1 1 -12 -13 5  o 134.439 3.7906  2195.50    123.652  2280.74    183.328  2124.36    167.484  136.928 5.5179  132.168 5.2225  4.759308       7.597496 
1 1 1 -12 -13 6  o 111.855 3.4928  1519.45    94.798   1845.47    141.875  1256.49    127.416  123.220 4.7453  101.523 5.1898  21.69698       7.032151 
1 1 1 -12 -13 7  o 149.387 3.9592  2710.75    143.509  2964.12    211.100  2493.05    195.681  156.118 5.5728  143.172 5.6328  12.94554       7.923662 
1 1 1 -12 -13 8  o 52.765  3.2820  339.346    41.811   325.888    66.341   348.213    53.852   51.493  5.3895  53.375  4.1918  -1.882019      6.827781 
1 1 1 -12 -13 9  o 86.151  4.8002  904.729    99.945   1067.79    156.375  792.120    129.952  93.398  6.9500  80.395  6.7235  13.00388       9.669960 
1 1 1 -12 -13 10 o 146.750 7.6856  2630.53    272.715  0.0000     0.0000   2630.53    272.715  ?       ?       146.750 7.6856  0.000000       7.685609 
1 1 1 -12 -13 11 o 175.073 8.4665  3736.67    359.657  0.0000     0.0000   3736.67    359.657  ?       ?       175.073 8.4665  0.000000       8.466520 
1 1 1 -12 -13 12 o 240.128 7.4613  7021.75    434.728  0.0000     0.0000   7021.75    434.728  ?       ?       240.128 7.4613  0.000000       7.461259 
1 1 1 -12 -13 13 f 248.265 5.4746  7492.76    329.786  7994.50    474.378  7023.46    458.789  256.199 7.6310  240.105 7.8749  16.09355       10.96572 
1 1 1 -12 -13 14 o 185.528 4.5014  4181.69    202.636  4302.06    293.685  4072.31    279.949  188.044 6.4366  182.964 6.3059  5.079636       9.010825 
1 1 1 -12 -13 15 o 140.148 3.9218  2385.45    133.363  2231.84    195.030  2520.35    182.775  135.467 5.9334  143.996 5.2312  -8.528976      7.910164 
1 1 1 -12 -13 16 o 89.675  3.3064  976.374    71.943   1002.67    102.771  951.103    100.745  90.718  4.6849  88.346  4.7168  2.372543       6.648032 
1 1 1 -12 -13 17 o 60.983  3.6493  453.249    53.751   458.976    87.660   449.798    68.044   61.135  5.9863  60.662  4.6584  0.4727592      7.585251 
1 1 1 -12 -13 18 o 155.368 4.0744  2932.41    153.601  3007.54    218.931  2859.58    215.557  157.245 5.7381  153.325 5.7941  3.920593       8.154558 
1 1 1 -12 -13 19 o 111.014 3.5188  1496.71    94.784   1424.55    134.967  1566.93    133.142  108.242 5.1388  113.537 4.8330  -5.294777      7.054436 
1 1 1 -12 -13 20 o 135.396 3.8442  2226.94    126.291  2090.70    179.753  2359.74    177.475  131.090 5.6512  139.296 5.2509  -8.205811      7.714145 
1 1 1 -12 -13 21 f 126.808 3.7111  1953.38    114.185  1902.09    163.080  2002.70    159.932  125.045 5.3749  128.324 5.1364  -3.279411      7.434537 
1 1 1 -12 -13 22 o 90.075  3.4264  985.476    74.888   1056.65    107.278  917.824    104.589  93.100  4.7649  86.729  4.9910  6.370415       6.900352 
1 1 1 -12 -13 23 o 104.535 3.5731  1327.47    90.629   1434.53    130.038  1226.36    126.377  108.603 4.9347  100.266 5.2126  8.337593       7.177912 
1 1 1 -12 -13 24 o 68.039  4.0752  564.632    66.968   521.830    81.389   654.351    117.834  65.287  5.1803  72.959  6.7321  -7.672150      8.494571 
1 1 1 -12 -13 25 o 153.975 5.6400  2886.20    210.716  2802.16    287.018  2984.45    310.341  151.276 7.8464  156.061 8.2246  -4.785263      11.36703 
1 1 1 -12 -13 26 o 148.144 5.5327  2671.28    198.876  2584.82    269.848  2774.07    294.238  145.308 7.6809  150.475 8.0885  -5.167435      11.15434 
1 1 1 -12 -13 27 o 258.777 8.0658  8180.25    506.448  8601.62    702.733  7724.89    730.525  264.597 10.946  250.426 12.022  14.17072       16.25870 
1 1 1 -12 -13 28 o 112.661 3.6467  1542.02    99.687   1522.17    143.078  1560.74    138.969  111.848 5.2721  113.270 5.0564  -1.421440      7.304911 
1 1 1 -12 -13 29 o 227.626 5.2264  6304.18    288.660  6431.95    410.937  6179.72    405.571  229.594 7.3765  225.038 7.4276  4.555664       10.46811 
1 1 1 -12 -13 30 o 105.642 3.6433  1355.87    93.389   1400.79    134.043  1313.50    130.186  107.302 5.1484  103.904 5.1638  3.397774       7.291829 
1 1 1 -12 -13 31 f 182.113 4.5564  4032.63    201.339  4022.98    286.946  4041.98    282.579  181.683 6.5091  182.126 6.3945  -0.4430084     9.124566 
1 1 1 -12 -13 32 o 304.090 6.5293  11271.49   481.760  11222.95   684.468  11319.16   678.197  302.698 9.3192  304.031 9.1934  -1.333496      13.09067 
1 1 1 -12 -13 33 o 141.690 7.7648  2459.59    265.935  0.0000     0.0000   2459.59    265.935  ?       ?       141.690 7.7648  0.000000       7.764808 
1 1 1 -12 -13 34 o 155.512 6.1769  2947.34    233.075  2729.04    357.018  3109.48    307.691  148.787 9.9465  159.495 7.9507  -10.70863      12.73367 
1 1 1 -12 -13 35 o 113.567 5.5237  1570.75    152.210  1685.09    242.851  1496.77    195.339  116.999 8.6151  110.462 7.3297  6.537773       11.31122 
1 1 1 -12 -13 36 o 68.779  3.7097  576.654    61.681   596.534    88.183   557.611    86.308   69.796  5.2454  67.459  5.3160  2.337425       7.468185 
1 1 1 -12 -13 37 f 169.772 4.3273  3506.52    178.256  3590.59    254.966  3426.14    249.314  171.556 6.1251  167.580 6.1314  3.975723       8.666667 
1 1 1 -12 -13 38 o 61.268  3.7646  458.206    55.695   439.908    79.670   475.696    77.890   59.809  5.5532  62.263  5.2034  -2.453472      7.610138 
1 1 1 -12 -13 39 o 81.642  3.6675  810.748    72.651   811.049    104.168  810.463    101.378  81.372  5.3049  81.363  5.1619  0.8865356E-02  7.401823 
1 1 1 -12 -13 40 f 22.623  6.4182  64.254     36.861   71.860     47.197   52.359     59.023   24.153  7.3760  22.729  8.2673  1.423349       11.07939 
1 1 1 -12 -13 41 o 152.098 4.2327  2819.73    156.210  2798.03    222.183  2840.94    219.668  151.144 6.0584  152.326 5.9433  -1.181808      8.486890 
1 1 1 -12 -13 42 o 38.618  4.7140  184.792    43.255   245.508    56.597   99.523     67.072   44.482  5.3512  28.354  8.8154  16.12838       10.31248 
1 1 1 -12 -13 43 o 12.360  5.3950  -6.1260    30.544   -2.5584    37.656   -12.9881   52.224   14.152  6.0837  15.920  6.9988  -1.768410      9.273304 
1 1 1 -12 -13 44 o 68.470  3.9126  573.979    64.733   574.306    88.786   573.609    94.583   68.210  5.4089  68.085  5.7799  0.1243515      7.916036 
1 1 1 -12 -13 45 o 146.576 5.7079  2643.17    203.003  2695.86    270.350  2575.06    307.382  147.061 7.6024  143.014 8.9021  4.046936       11.70659 
1 1 1 -12 -13 46 o 35.221  6.0016  157.111    49.452   145.192    60.351   181.468    86.271   33.504  7.5985  37.191  9.5198  -3.687115      12.18049 
1 1 1 -12 -13 47 o 46.216  5.2537  265.980    57.868   249.747    71.453   296.922    98.650   44.365  6.8588  47.862  8.8196  -3.496250      11.17269 
1 1 1 -12 -13 48 o 25.704  6.9314  84.976     44.219   83.644     53.772   87.757     77.714   25.753  7.8745  27.422  9.5362  -1.668791      12.36716 
1 1 1 -12 -13 49 o 23.077  6.5914  67.819     38.742   124.539    47.680   -42.3906   66.463   31.121  6.5228  16.310  7.4659  14.81149       9.913926 
1 1 1 -12 -13 50 o 67.009  4.0027  551.771    64.783   535.953    87.603   570.861    96.237   65.654  5.5512  67.662  5.9215  -2.007957      8.116591 
1 1 1 -12 -13 51 o 50.095  8.2470  324.635    96.754   0.0000     0.0000   324.635    96.754   ?       ?       50.095  8.2470  0.000000       8.247025 
1 1 1 -12 -13 52 o 72.852  6.2994  665.859    110.259  492.240    210.140  731.814    129.520  58.412  14.807  76.070  7.0991  -17.65862      16.42077 
1 1 1 -12 -13 53 o 35.644  5.3324  160.654    44.701   123.888    58.094   214.019    69.989   30.685  7.7890  40.621  7.3726  -9.935287      10.72487 
1 1 1 -12 -13 54 o 15.838  6.2041  19.590     34.681   21.757     42.021   14.963     61.417   17.162  6.7956  19.160  7.9774  -1.997967      10.47946 
1 1 1 -12 -13 55 o 22.082  6.7221  62.129     39.246   1.6796     49.123   168.804    65.255   16.317  6.9795  35.732  7.7497  -19.41509      10.42935 
1 1 1 -12 -13 56 o 79.099  3.9844  772.622    76.226   802.142    105.805  740.767    109.910  79.981  5.4852  76.623  5.9586  3.358154       8.098898 
1 1 1 -12 -13 57 f 48.712  5.0201  298.255    58.485   275.290    77.530   328.578    89.090   45.960  7.1878  50.119  7.5610  -4.159626      10.43235 
1 1 1 -12 -13 58 o 27.446  7.0162  99.769     46.903   100.491    58.084   98.417     79.516   27.505  8.1343  27.868  9.6487  -0.3625221     12.61998 
1 1 1 -12 -13 59 o 19.492  7.4353  36.659     48.863   36.659     48.863   0.0000     0.0000   19.492  7.4353  ?       ?       0.000000       7.435304 
1 1 1 -12 -13 60 o 17.354  7.0945  17.237     47.400   17.237     47.400   0.0000     0.0000   17.354  7.0945  ?       ?       0.000000       7.094451 
1 1 1 -12 -13 61 o 35.752  5.7722  164.227    48.368   153.946    60.666   182.163    80.130   33.996  7.5509  36.487  9.0856  -2.490742      11.81369 
1 1 1 -12 -13 62 o 61.257  4.4702  467.752    65.984   433.634    88.034   511.492    99.679   58.191  6.3374  63.109  6.6074  -4.918579      9.155346 
1 1 1 -12 -13 63 o 32.329  10.858  143.503    100.560  200.732    264.052  133.795    108.756  39.341  16.474  31.695  11.260  7.646133       19.95438 
1 1 1 -12 -12 1  o 92.205  4.7913  1036.56    106.824  1192.59    163.041  919.188    141.404  98.683  6.8516  86.583  6.7850  12.09931       9.642661 
1 1 1 -12 -12 2  o 85.827  4.6820  898.168    97.135   813.696    146.171  964.971    129.987  81.344  7.4899  88.827  6.0673  -7.482971      9.639049 
1 1 1 -12 -12 3  o 38.874  3.3028  184.835    30.858   213.327    50.097   167.416    39.171   41.580  5.0705  36.846  4.4731  4.733986       6.761591 
1 1 1 -12 -12 4  o 157.689 4.0705  3020.81    155.746  3292.49    229.090  2787.33    212.373  164.518 5.7389  151.369 5.7823  13.14909       8.146791 
1 1 1 -12 -12 5  o 174.048 4.3071  3680.32    181.893  3910.91    265.982  3477.75    249.299  179.289 6.1141  169.072 6.0769  10.21719       8.620414 
1 1 1 -12 -12 6  o 122.738 3.6426  1829.39    108.482  1842.88    161.036  1818.18    146.785  123.121 5.3905  122.313 4.9459  0.8079376      7.315681 
1 1 1 -12 -12 7  o 145.663 3.9038  2576.79    137.977  2853.72    203.048  2339.21    188.068  153.215 5.4618  138.711 5.5878  14.50441       7.813722 
1 1 1 -12 -12 8  o 131.001 4.1951  2084.37    133.347  2549.39    238.217  1872.17    160.921  144.747 6.7826  124.110 5.3437  20.63697       8.634769 
1 1 1 -12 -12 9  o 27.852  7.1438  97.999     48.511   0.0000     0.0000   97.999     48.511   ?       ?       27.852  7.1438  0.000000       7.143763 
1 1 1 -12 -12 10 o 164.026 8.1362  3277.09    323.814  0.0000     0.0000   3277.09    323.814  ?       ?       164.026 8.1362  0.000000       8.136159 
1 1 1 -12 -12 11 o 308.858 12.959  11688.38   971.174  0.0000     0.0000   11688.38   971.174  ?       ?       308.858 12.959  0.000000       12.95906 
1 1 1 -12 -12 12 o 114.258 3.6139  1585.06    100.190  1755.21    149.055  1444.82    135.320  120.189 5.1111  109.045 5.1144  11.14391       7.230546 
1 1 1 -12 -12 13 o 303.326 6.4873  11190.15   477.459  10910.05   678.126  11465.52   672.370  299.106 9.3438  306.677 9.0357  -7.570923      12.99809 
1 1 1 -12 -12 14 o 157.034 4.0741  2994.72    155.237  3126.46    221.289  2867.08    217.828  160.375 5.6867  153.570 5.8458  6.805206       8.155475 
1 1 1 -12 -12 15 o 28.102  4.0548  97.888     26.848   122.454    37.780   72.824     38.161   31.336  5.1477  24.055  6.4189  7.281307       8.228069 
1 1 1 -12 -12 16 o 124.369 3.6375  1878.14    109.769  1806.51    156.881  1946.84    153.642  121.916 5.3033  126.575 5.0026  -4.659378      7.290512 
1 1 1 -12 -12 17 o 139.135 3.8348  2350.92    129.463  2395.54    184.916  2308.03    181.313  140.379 5.4288  137.792 5.4230  2.587463       7.673438 
1 1 1 -12 -12 18 o 129.855 3.8027  2047.85    119.816  2177.50    170.996  1922.80    167.935  133.839 5.2655  125.756 5.5036  8.082581       7.616788 
1 1 1 -12 -12 19 o 172.114 4.3222  3599.03    180.505  3562.47    256.996  3634.62    253.583  171.109 6.1900  172.845 6.0464  -1.735474      8.653044 
1 1 1 -12 -12 20 o 155.680 4.0569  2944.33    153.247  2952.83    218.177  2936.05    215.300  155.798 5.7714  155.359 5.7114  0.4389801      8.119715 
1 1 1 -12 -12 21 o 34.026  4.4514  143.097    35.870   145.827    52.268   140.666    49.317   34.035  6.5671  33.449  6.3078  0.5859756      9.105749 
1 1 1 -12 -12 22 o 93.428  3.4960  1060.20    79.253   1074.23    113.262  1046.74    110.935  93.857  4.9913  92.649  4.9527  1.208008       7.031519 
1 1 1 -12 -12 23 o 96.515  3.5030  1131.51    82.034   1152.14    117.240  1111.71    114.825  97.204  4.9876  95.480  4.9736  1.724144       7.043629 
1 1 1 -12 -12 24 o 70.029  4.0907  598.029    69.208   543.891    83.594   715.993    123.394  66.660  5.2096  76.351  6.7295  -9.690529      8.510334 
1 1 1 -12 -12 25 o 224.237 7.1727  6133.55    390.258  6096.26    538.799  6174.71    566.024  222.993 9.9580  224.318 10.399  -1.324478      14.39820 
1 1 1 -12 -12 26 o 144.769 5.5159  2550.81    193.757  2523.83    261.994  2583.39    287.856  143.606 7.5454  145.181 8.2051  -1.575714      11.14701 
1 1 1 -12 -12 27 o 288.231 8.8220  10160.93   616.977  10715.82   857.906  9566.50    887.945  294.991 11.986  278.305 13.149  16.68695       17.79219 
1 1 1 -12 -12 28 o 119.893 3.7137  1746.40    108.034  1675.44    153.847  1815.43    151.742  117.338 5.4036  122.161 5.1193  -4.822655      7.443519 
1 1 1 -12 -12 29 o 68.070  3.6447  564.516    59.979   564.015    84.319   565.029    85.336   67.895  5.1568  67.950  5.2156  -0.5507660E-01 7.334539 
1 1 1 -12 -12 30 o 161.180 4.3075  3157.91    168.460  3063.76    239.697  3249.80    236.805  158.591 6.2290  163.361 5.9742  -4.770508      8.630846 
1 1 1 -12 -12 31 o 97.802  3.6359  1162.09    86.283   1239.67    122.676  1086.13    121.381  100.950 5.0083  94.327  5.3251  6.623299       7.310242 
1 1 1 -12 -12 32 o 85.211  3.6129  882.157    74.699   954.611    106.173  811.139    105.116  88.447  4.9674  81.467  5.3474  6.980247       7.298579 
1 1 1 -12 -12 33 o 108.485 5.5638  1436.52    145.962  1230.52    232.120  1571.24    187.721  99.725  9.7162  113.299 6.8608  -13.57381      11.89429 
1 1 1 -12 -12 34 o 31.187  8.1317  123.295    62.169   212.449    111.595  83.174     74.863   40.868  11.008  27.271  9.3667  13.59666       14.45342 
1 1 1 -12 -12 35 o 167.728 6.2959  3429.94    256.227  3657.67    392.832  3261.31    338.032  172.434 9.4247  162.992 8.5775  9.442062       12.74355 
1 1 1 -12 -12 36 o 169.917 4.3838  3511.77    180.738  3441.21    258.009  3579.75    253.261  167.966 6.3307  171.348 6.0915  -3.381882      8.785427 
1 1 1 -12 -12 37 o 169.302 4.5274  3487.97    185.983  3530.15    265.254  3447.18    260.841  170.061 6.4282  168.056 6.3967  2.005539       9.068647 
1 1 1 -12 -12 38 o 120.085 3.9272  1753.99    114.430  1721.47    161.875  1786.47    161.781  118.808 5.6153  121.042 5.5084  -2.234352      7.866037 
1 1 1 -12 -12 39 o 140.834 4.0974  2414.09    140.015  2350.26    197.870  2478.10    198.152  138.722 5.8786  142.468 5.7321  -3.746384      8.210636 
1 1 1 -12 -12 40 o 158.967 4.3285  3078.75    166.957  3095.17    237.655  3062.75    234.600  159.049 6.1582  158.224 6.1107  0.8250122      8.675495 
1 1 1 -12 -12 41 o 113.041 3.8367  1556.25    105.235  1467.81    148.681  1645.04    148.971  109.402 5.6200  116.021 5.2918  -6.618652      7.719270 
1 1 1 -12 -12 42 f 92.960  3.8465  1053.09    86.762   1001.28    120.941  1108.03    124.538  90.262  5.5490  94.994  5.4256  -4.732361      7.760688 
1 1 1 -12 -12 43 o 97.797  3.7962  1166.12    90.082   1157.76    126.701  1174.67    128.100  97.054  5.4017  97.757  5.4218  -0.7036209     7.653350 
1 1 1 -12 -12 44 o 109.345 3.9763  1459.49    105.497  1339.60    148.715  1580.94    149.681  104.213 5.9055  113.502 5.4350  -9.288971      8.025845 
1 1 1 -12 -12 45 o 114.873 5.1470  1619.28    143.461  1540.85    187.350  1730.46    223.060  111.328 6.9708  117.625 7.8608  -6.297409      10.50637 
1 1 1 -12 -12 46 o 117.508 5.1622  1696.27    147.186  1495.94    191.342  1986.60    230.349  109.473 7.2444  126.064 7.5656  -16.59115      10.47472 
1 1 1 -12 -12 47 o 50.706  4.0583  316.474    49.512   244.894    68.938   392.737    71.156   43.976  6.6700  56.267  5.2734  -12.29116      8.502844 
1 1 1 -12 -12 48 o 75.252  3.9395  694.496    71.682   703.774    97.866   683.757    105.288  75.406  5.3843  74.174  5.8989  1.232567       7.986672 
1 1 1 -12 -12 49 o 65.741  4.0395  530.992    64.124   533.113    87.746   528.561    93.942   65.505  5.5736  65.098  6.0154  0.4070511      8.200591 
1 1 1 -12 -12 50 o 144.426 4.3610  2558.79    152.826  2461.48    217.874  2653.05    214.425  140.772 6.3786  146.324 6.0395  -5.551773      8.784170 
1 1 1 -12 -12 51 o 26.793  8.7304  89.200     65.149   -54.4946   133.892  133.774    74.572   23.829  10.786  31.940  9.1520  -8.110897      14.14552 
1 1 1 -12 -12 52 o 40.496  8.1143  214.513    76.953   135.281    160.943  237.996    87.618   35.099  13.469  42.481  8.7901  -7.382023      16.08345 
1 1 1 -12 -12 53 o 57.189  4.2426  404.320    58.453   447.949    77.007   345.008    89.786   59.894  5.3554  51.830  7.3450  8.063747       9.090068 
1 1 1 -12 -12 54 o 33.233  5.6534  141.046    43.955   170.457    56.072   94.164     70.793   36.324  6.6052  27.368  9.1097  8.956230       11.25234 
1 1 1 -12 -12 55 o 23.445  6.7856  71.099     40.809   62.484     49.943   88.408     70.791   22.674  7.6519  26.695  9.1096  -4.021412      11.89692 
1 1 1 -12 -12 56 o 29.270  6.5260  112.175    45.166   162.017    55.168   10.851     78.659   35.263  6.6925  20.832  8.8694  14.43126       11.11105 
1 1 1 -12 -12 57 o 82.841  4.5401  852.723    90.911   717.286    126.354  998.082    130.900  74.710  7.0537  88.814  6.1115  -14.10362      9.332979 
1 1 1 -12 -12 58 o 47.667  4.8957  285.418    55.820   257.407    71.374   329.533    89.571   44.536  6.8222  50.138  7.6011  -5.601952      10.21366 
1 1 1 -12 -12 59 o 23.831  7.9305  71.263     53.653   71.263     53.653   0.0000     0.0000   23.831  7.9305  ?       ?       0.000000       7.930456 
1 1 1 -12 -12 60 o 24.818  7.4413  80.431     48.361   104.064    54.701   -4.1564    103.487  27.959  7.7790  22.520  9.8775  5.438417       12.57287 
1 1 1 -12 -12 61 o 31.221  6.3893  127.442    46.771   164.358    57.961   58.534     79.188   35.346  7.0057  24.309  9.4154  11.03776       11.73584 
1 1 1 -12 -12 62 o 32.764  6.1865  139.768    47.379   163.594    57.938   91.677     82.314   35.211  7.0276  27.301  9.7857  7.910006       12.04770 
1 1 1 -12 -12 63 o 23.617  10.028  25.425     100.056  282.784    255.517  -21.1842   108.739  42.475  16.777  22.016  9.8633  20.45890       19.46134 
1 1 1 -12 -11 1  o 205.190 6.7757  5128.90    337.347  5408.32    488.710  4874.58    466.244  210.277 9.5784  199.624 9.6258  10.65340       13.57947 
1 1 1 -12 -11 2  o 31.198  4.8305  121.090    35.385   111.507    58.242   126.697    44.549   29.726  7.9289  31.750  6.0026  -2.024422      9.944757 
1 1 1 -12 -11 3  o 132.438 3.7970  2130.28    122.017  1998.28    180.846  2240.57    165.313  128.174 5.8149  135.767 5.0182  -7.592987      7.680881 
1 1 1 -12 -11 4  o 307.702 6.4997  11520.98   485.277  11552.82   695.731  11490.82   677.214  307.644 9.3203  306.862 9.0953  0.7819824      13.02277 
1 1 1 -12 -11 5  o 177.797 4.3558  3839.92    187.913  4202.83    274.016  3517.73    258.187  185.899 6.0748  170.061 6.2570  15.83795       8.720859 
1 1 1 -12 -11 6  o 254.949 5.5815  7900.83    345.275  8153.93    496.759  7664.28    480.245  258.750 7.9123  250.864 7.8897  7.886673       11.17369 
1 1 1 -12 -11 7  o 108.280 3.5021  1423.45    92.011   1437.66    136.896  1411.74    124.266  108.773 5.1869  107.802 4.7508  0.9714432      7.033735 
1 1 1 -12 -11 8  o 223.079 7.0629  6054.25    382.302  0.0000     0.0000   6054.25    382.302  ?       ?       223.079 7.0629  0.000000       7.062906 
1 1 1 -12 -11 9  o 293.786 12.415  10558.37   885.008  0.0000     0.0000   10558.37   885.008  ?       ?       293.786 12.415  0.000000       12.41516 
1 1 1 -12 -11 10 o 171.913 8.3682  3598.75    349.064  0.0000     0.0000   3598.75    349.064  ?       ?       171.913 8.3682  0.000000       8.368180 
1 1 1 -12 -11 11 o 226.850 7.3195  6260.67    402.889  6387.57    587.728  6148.18    553.366  228.791 10.587  224.514 10.158  4.276611       14.67201 
1 1 1 -12 -11 12 o 219.560 5.0454  5856.21    268.792  5743.57    382.406  5966.21    377.892  217.285 7.2532  221.475 7.0320  -4.189545      10.10238 
1 1 1 -12 -11 13 o 178.555 4.3467  3871.77    188.318  3966.63    268.388  3779.77    264.302  180.641 6.1233  176.331 6.1774  4.309219       8.697975 
1 1 1 -12 -11 14 o 283.690 6.0310  9783.08    415.143  10245.94   589.462  9327.56    584.767  290.059 8.3754  276.712 8.7095  13.34711       12.08313 
1 1 1 -12 -11 15 o 219.478 5.0652  5852.49    269.744  5828.72    383.523  5875.76    379.459  218.870 7.2217  219.761 7.1162  -0.8907166     10.13875 
1 1 1 -12 -11 16 o 110.522 3.5782  1483.05    95.957   1639.69    136.974  1332.08    134.469  116.176 4.8591  104.564 5.3175  11.61178       7.203281 
1 1 1 -12 -11 17 o 258.915 5.7544  8149.59    361.513  8136.61    513.105  8162.39    509.429  258.440 8.1824  258.858 8.1107  -0.4183350     11.52110 
1 1 1 -12 -11 18 o 172.072 4.3006  3596.55    179.558  3720.13    255.569  3476.08    252.328  174.902 6.0221  169.059 6.1513  5.843002       8.608385 
1 1 1 -12 -11 19 o 320.983 6.8308  12541.02   532.010  12583.43   754.474  12499.07   750.295  320.990 9.6870  319.917 9.6656  1.073212       13.68438 
1 1 1 -12 -11 20 o 137.382 3.9403  2292.52    131.347  2407.44    187.355  2181.44    184.191  140.705 5.4877  133.928 5.6681  6.777344       7.889356 
1 1 1 -12 -11 21 o 22.196  5.6695  62.223     30.644   54.982     46.015   67.993     41.078   21.933  7.3451  23.413  6.8170  -1.479492      10.02110 
1 1 1 -12 -11 22 o 206.164 4.8636  5167.46    243.296  5332.06    345.745  5005.99    342.424  209.209 6.8110  202.693 6.9624  6.516602       9.739882 
1 1 1 -12 -11 23 o 94.410  3.5187  1082.65    80.606   1012.28    114.300  1152.27    113.690  91.080  5.1936  97.348  4.8132  -6.268639      7.080942 
1 1 1 -12 -11 24 o 149.503 4.7952  2717.97    173.947  2793.64    211.638  2560.44    305.376  151.493 5.7576  144.457 8.7536  7.035721       10.47738 
1 1 1 -12 -11 25 o 167.573 6.0292  3419.70    245.146  3624.41    333.480  3179.00    361.604  172.272 7.9780  160.888 9.3026  11.38396       12.25503 
1 1 1 -12 -11 26 o 103.233 4.9472  1296.22    123.920  1333.33    163.871  1246.67    189.383  104.404 6.5010  100.752 7.8078  3.651993       10.15998 
1 1 1 -12 -11 27 o 256.155 7.8673  8011.36    488.979  7582.87    675.821  8482.13    708.369  248.398 11.213  262.745 11.111  -14.34674      15.78572 
1 1 1 -12 -11 28 o 167.963 4.3079  3429.17    175.568  3427.59    249.617  3430.72    246.987  167.761 6.1322  167.845 6.0646  -0.8377075E-01 8.624588 
1 1 1 -12 -11 29 o 163.998 4.3040  3269.15    171.267  3287.98    244.002  3250.87    240.453  164.310 6.1202  163.386 6.0653  0.9242096      8.616531 
1 1 1 -12 -11 30 f 233.557 5.4446  6638.21    308.546  6729.81    438.584  6548.46    434.150  234.805 7.6981  231.615 7.7252  3.190231       10.90592 
1 1 1 -12 -11 31 o 137.052 3.9750  2282.56    132.186  2465.69    188.665  2105.99    185.261  142.339 5.4627  131.520 5.8053  10.81807       7.971364 
1 1 1 -12 -11 32 f 144.134 4.1401  2525.03    144.792  2662.21    206.364  2392.01    203.207  147.871 5.7516  140.146 5.9758  7.724518       8.293991 
1 1 1 -12 -11 33 o 48.857  6.4167  295.852    74.229   205.591    128.836  340.702    90.817   40.595  12.140  52.333  7.3550  -11.73842      14.19404 
1 1 1 -12 -11 34 o 156.176 6.2722  2972.66    237.682  2938.75    362.835  2998.15    314.575  154.494 9.7288  156.358 8.3216  -1.864090      12.80225 
1 1 1 -12 -11 35 o 114.867 5.8867  1611.77    163.520  1707.36    254.007  1544.12    213.689  117.717 8.9602  112.112 7.9060  5.604485       11.94947 
1 1 1 -12 -11 36 o 57.983  4.1061  410.843    57.396   428.892    76.655   387.812    86.590   59.098  5.4056  56.012  6.4916  3.086117       8.447506 
1 1 1 -12 -11 37 o 48.944  4.3668  293.748    51.316   340.100    67.710   231.197    78.657   52.562  5.3850  42.801  7.8636  9.761257       9.530750 
1 1 1 -12 -11 38 o 21.308  6.7569  54.537     39.210   45.514     49.664   69.467     63.888   21.073  7.5959  25.006  8.6492  -3.933296      11.51120 
1 1 1 -12 -11 39 o 58.808  4.0864  422.947    57.948   453.444    77.820   384.990    86.818   60.738  5.3345  55.728  6.5452  5.010048       8.443724 
1 1 1 -12 -11 40 o 128.830 3.9949  2020.87    124.880  2054.92    176.772  1986.95    176.441  129.682 5.6179  127.505 5.7031  2.176544       8.005335 
1 1 1 -12 -11 41 o 102.671 3.8062  1283.78    94.820   1282.70    132.943  1284.89    135.281  102.296 5.3749  102.365 5.4663  -0.6937408E-01 7.666123 
1 1 1 -12 -11 42 o 86.547  3.8158  912.787    80.131   853.411    110.733  978.060    116.102  83.308  5.5091  89.234  5.3875  -5.925781      7.705544 
1 1 1 -12 -11 43 o 38.374  5.1066  183.365    46.368   203.491    60.166   153.929    72.764   40.196  6.3821  34.507  8.6942  5.688759       10.78521 
1 1 1 -12 -11 44 f 85.320  3.7337  887.987    77.295   863.499    110.380  911.548    108.273  83.703  5.4648  86.070  5.2090  -2.367088      7.549702 
1 1 1 -12 -11 45 o 53.459  5.1374  353.816    65.818   367.711    81.541   327.835    111.498  54.238  6.3141  50.264  9.4899  3.973675       11.39852 
1 1 1 -12 -11 46 o 154.692 5.9150  2951.24    222.016  2985.61    295.087  2906.41    337.034  154.423 7.9019  151.519 9.2110  2.903778       12.13600 
1 1 1 -12 -11 47 o 101.286 3.8338  1253.83    94.220   1316.11    134.701  1194.18    131.838  103.266 5.3946  98.304  5.5499  4.962097       7.739745 
1 1 1 -12 -11 48 o 86.207  3.8909  908.779    81.388   784.532    113.183  1041.81    117.117  79.481  5.9111  91.852  5.2771  -12.37147      7.923951 
1 1 1 -12 -11 49 o 49.155  4.5143  298.837    53.240   301.825    69.334   294.544    83.112   49.065  5.9452  48.057  7.3622  1.008278       9.462908 
1 1 1 -12 -11 50 o 42.696  4.8460  226.967    49.315   208.223    66.227   250.295    73.883   40.312  7.0262  44.259  7.1213  -3.947788      10.00404 
1 1 1 -12 -11 51 o 96.388  6.0783  1157.84    141.430  1302.07    252.483  1091.90    170.729  99.656  10.604  92.880  7.6435  6.775864       13.07204 
1 1 1 -12 -11 52 f 18.110  7.6912  4.9530     58.877   37.324     136.088  -2.5016    65.306   28.085  11.797  18.469  7.9757  9.616190       14.24013 
1 1 1 -12 -11 53 o 70.907  4.2354  620.474    72.536   538.708    96.374   727.321    110.168  65.434  6.1419  76.163  6.0102  -10.72892      8.593381 
1 1 1 -12 -11 54 o 26.260  6.9048  90.123     44.580   84.368     53.372   103.404    81.078   25.603  7.8479  28.711  9.7493  -3.107817      12.51550 
1 1 1 -12 -11 55 o 35.418  6.4408  162.285    53.312   -1.3809    64.901   501.815    93.479   18.363  7.9405  62.949  6.2006  -44.58588      10.07466 
1 1 1 -12 -11 56 o 20.701  6.7921  52.797     39.407   72.683     45.247   -9.6715    80.193   23.735  7.2161  19.740  8.6756  3.995247       11.28442 
1 1 1 -12 -11 57 o 60.270  4.5572  452.535    66.152   414.393    88.189   501.607    100.031  56.892  6.5055  62.562  6.6935  -5.669632      9.334025 
1 1 1 -12 -11 58 o 53.026  6.2128  359.199    78.421   359.199    78.421   0.0000     0.0000   53.026  6.2128  ?       ?       0.000000       6.212801 
1 1 1 -12 -11 59 o 29.754  8.0038  118.608    59.046   118.608    59.046   0.0000     0.0000   29.754  8.0038  ?       ?       0.000000       8.003809 
1 1 1 -12 -11 60 o 17.835  6.8698  28.690     41.976   5.8274     46.128   138.818    101.238  16.142  6.8289  32.242  10.894  -16.09942      12.85775 
1 1 1 -12 -11 61 o 41.008  5.3154  213.340    51.646   274.387    65.126   109.897    84.776   46.361  5.9250  29.149  9.9688  17.21249       11.59664 
1 1 1 -12 -11 62 o 22.614  7.1041  65.618     43.432   47.263     52.776   104.130    76.448   20.984  7.7864  28.237  9.4674  -7.252438      12.25809 
1 1 1 -12 -11 63 o 35.752  11.456  183.576    112.489  -86.5623   368.032  211.413    118.143  34.869  16.485  38.054  11.678  -3.185268      20.20233 
1 1 1 -12 -10 1  o 126.334 5.1709  1940.38    158.507  2031.30    232.799  1861.81    216.421  128.898 7.4755  123.412 7.2593  5.485901       10.42018 
1 1 1 -12 -10 2  o 143.408 5.4380  2500.38    189.223  2606.36    275.293  2405.47    260.520  146.046 7.7968  140.303 7.6818  5.742432       10.94531 
1 1 1 -12 -10 3  o 59.470  3.1817  430.591    45.745   444.651    70.660   420.447    60.022   60.297  4.8712  58.682  4.2441  1.615261       6.460691 
1 1 1 -12 -10 4  o 327.129 7.8138  13031.32   620.217  13717.79   1082.72  12696.05   756.664  334.449 13.342  322.576 9.6673  11.87225       16.47629 
1 1 1 -12 -10 5  o 287.959 6.2071  10081.98   433.697  9628.65    621.779  10511.51   605.237  281.055 9.1176  293.750 8.4915  -12.69421      12.45937 
1 1 1 -12 -10 6  f 129.082 3.7359  2022.98    117.011  2076.47    172.230  1977.13    159.464  130.723 5.4299  127.568 5.1518  3.155380       7.484962 
1 1 1 -12 -10 7  o 171.780 5.9422  3586.36    247.676  0.0000     0.0000   3586.36    247.676  ?       ?       171.780 5.9422  0.000000       5.942217 
1 1 1 -12 -10 8  f 108.322 4.7660  1425.12    125.267  0.0000     0.0000   1425.12    125.267  ?       ?       108.322 4.7660  0.000000       4.766017 
1 1 1 -12 -10 9  o 34.866  7.1729  153.275    58.657   0.0000     0.0000   153.275    58.657   ?       ?       34.866  7.1729  0.000000       7.172938 
1 1 1 -12 -10 10 o 191.964 6.5707  4479.64    306.053  4535.54    450.737  4431.82    416.889  192.936 9.6282  190.768 9.0064  2.167587       13.18399 
1 1 1 -12 -10 11 o 101.039 4.8930  1239.92    119.958  1733.61    186.038  888.566    156.943  119.250 6.4535  85.121  7.6814  34.12914       10.03258 
1 1 1 -12 -10 12 o 185.369 4.5101  4172.74    202.856  4166.19    288.583  4179.13    285.210  185.134 6.4242  185.426 6.3391  -0.2920532     9.025261 
1 1 1 -12 -10 13 o 42.965  3.4986  225.571    36.157   234.561    52.288   217.334    50.051   43.656  5.0281  42.003  5.0099  1.653446       7.097895 
1 1 1 -12 -10 14 o 102.568 3.4416  1277.04    85.651   1403.92    122.290  1154.88    119.999  107.516 4.6877  97.372  5.0968  10.14358       6.924676 
1 1 1 -12 -10 15 o 174.775 4.3645  3709.50    185.089  3939.73    263.525  3485.34    260.021  180.038 6.0324  169.322 6.3289  10.71603       8.743319 
1 1 1 -12 -10 16 o 128.588 3.7701  2007.56    117.629  2049.29    167.521  1966.98    165.209  129.869 5.3162  127.233 5.3514  2.635895       7.543195 
1 1 1 -12 -10 17 o 294.842 6.3701  10571.01   455.725  10564.17   646.114  10577.78   642.883  294.402 9.0449  294.599 8.9937  -0.1971741     12.75526 
1 1 1 -12 -10 18 o 335.857 7.0474  13726.57   574.313  13469.36   813.622  13981.98   810.786  332.167 10.095  338.474 9.8723  -6.307556      14.11981 
1 1 1 -12 -10 19 o 60.148  3.5816  440.845    52.035   413.224    73.629   468.406    73.549   58.069  5.2835  61.890  4.9388  -3.820652      7.232353 
1 1 1 -12 -10 20 o 153.684 4.1385  2868.99    154.324  2946.73    219.361  2792.80    217.149  155.658 5.8080  151.532 5.9060  4.126419       8.283280 
1 1 1 -12 -10 21 o 134.646 3.9133  2202.17    127.850  2201.99    181.606  2202.34    180.018  134.558 5.5623  134.572 5.5131  -0.1359558E-01 7.831607 
1 1 1 -12 -10 22 o 169.225 4.3661  3479.98    179.276  3471.90    254.569  3487.93    252.513  168.887 6.2122  169.282 6.1477  -0.3952026     8.739867 
1 1 1 -12 -10 23 o 174.299 4.3942  3692.36    185.838  3630.93    263.725  3752.95    261.914  172.680 6.2942  175.573 6.1481  -2.892166      8.798649 
1 1 1 -12 -10 24 o 219.940 7.1190  5898.16    379.915  5901.95    522.337  5893.91    553.585  219.520 9.8065  219.240 10.406  0.2798615      14.29897 
1 1 1 -12 -10 25 o 111.558 5.0788  1513.85    137.475  1582.35    182.191  1423.28    209.492  113.757 6.6294  107.655 8.0788  6.102448       10.45066 
1 1 1 -12 -10 26 o 153.582 5.7747  2871.53    215.195  2980.20    290.220  2738.82    320.727  156.258 7.6546  149.382 8.8887  6.876083       11.73041 
1 1 1 -12 -10 27 o 201.714 6.5985  4958.29    322.957  4480.13    440.965  5511.50    474.315  191.287 9.5007  212.224 9.2110  -20.93683      13.23278 
1 1 1 -12 -10 28 o 209.186 4.9046  5321.79    248.943  5351.83    353.955  5292.39    350.193  209.517 6.9625  208.356 6.9269  1.161575       9.821296 
1 1 1 -12 -10 29 o 113.328 3.7089  1560.31    101.987  1532.80    145.362  1586.99    143.127  112.240 5.3375  114.218 5.1644  -1.977325      7.426997 
1 1 1 -12 -10 30 o 49.392  4.2484  298.704    50.420   276.149    67.339   327.483    76.064   47.246  6.0101  51.484  6.2146  -4.237991      8.645389 
1 1 1 -12 -10 31 o 130.127 4.0411  2057.82    127.595  1982.31    179.275  2135.34    181.640  127.604 5.7902  132.448 5.6520  -4.844749      8.091433 
1 1 1 -12 -10 32 o 88.412  3.7761  949.770    81.007   975.670    112.262  921.635    117.007  89.399  5.1978  86.837  5.5828  2.561890       7.627843 
1 1 1 -12 -10 33 o 139.085 6.1028  2356.55    205.958  2144.17    313.336  2518.11    273.290  131.880 9.8633  143.365 7.8866  -11.48540      12.62865 
1 1 1 -12 -10 34 o 391.189 11.892  18868.88   1128.78  17421.45   1628.02  20208.86   1566.43  372.018 18.036  402.193 16.051  -30.17480      24.14399 
1 1 1 -12 -10 35 o 62.494  6.9070  482.305    102.983  458.742    160.922  498.649    134.021  60.049  11.463  63.183  8.9961  -3.134270      14.57130 
1 1 1 -12 -10 36 o 182.663 4.5825  4059.30    203.102  4035.81    288.814  4082.29    285.670  181.869 6.5448  182.930 6.4360  -1.061523      9.179118 
1 1 1 -12 -10 37 o 22.052  6.6805  59.707     38.830   61.577     48.199   56.248     65.542   22.912  7.5115  23.811  8.7041  -0.8991890     11.49711 
1 1 1 -12 -10 38 o 135.230 4.1221  2225.00    135.256  2024.13    190.730  2428.20    191.835  128.762 6.1048  141.099 5.6033  -12.33746      8.286408 
1 1 1 -12 -10 39 o 61.604  4.0022  463.810    59.500   450.065    80.276   480.566    88.634   60.476  5.5318  62.447  5.9204  -1.970482      8.102590 
1 1 1 -12 -10 40 o 165.234 4.4460  3327.44    178.251  3120.68    253.861  3528.51    250.347  159.592 6.5557  169.818 6.0757  -10.22610      8.938184 
1 1 1 -12 -10 41 o 215.184 5.1900  5658.40    270.985  5535.48    387.088  5776.54    379.486  211.994 7.5253  216.691 7.2176  -4.697174      10.42704 
1 1 1 -12 -10 42 o 237.816 5.4620  6925.11    315.177  6849.54    450.529  6997.53    441.076  235.343 7.8897  238.014 7.6374  -2.671021      10.98076 
1 1 1 -12 -10 43 o 94.935  3.7291  1098.81    85.901   1027.20    122.135  1168.91    120.839  91.357  5.5359  97.573  5.1219  -6.215935      7.541880 
1 1 1 -12 -10 44 o 112.729 3.8538  1550.85    105.411  1517.11    150.622  1583.24    147.571  110.995 5.6109  113.590 5.3542  -2.595261      7.755654 
1 1 1 -12 -10 45 o 89.133  5.0054  977.447    107.816  1008.84    137.569  927.456    173.588  90.189  6.3264  85.720  8.4561  4.469055       10.56072 
1 1 1 -12 -10 46 o 26.415  7.2156  89.554     47.557   142.360    57.852   -20.4991   83.517   33.207  7.3723  19.938  8.8043  13.26861       11.48326 
1 1 1 -12 -10 47 o 125.651 4.0698  1931.41    124.081  1952.67    177.444  1911.06    173.574  125.800 5.8132  124.476 5.7469  1.323898       8.174383 
1 1 1 -12 -10 48 o 73.165  4.0804  657.110    72.151   704.464    103.877  612.969    100.291  75.349  5.7245  70.195  5.9442  5.154129       8.252426 
1 1 1 -12 -10 49 o 107.979 4.0591  1427.44    106.350  1382.82    153.315  1468.83    147.648  105.549 6.0113  108.952 5.6041  -3.402107      8.218328 
1 1 1 -12 -10 50 o 87.500  6.1484  953.997    129.708  933.767    225.790  963.962    158.464  83.989  11.372  87.382  7.5479  -3.393433      13.64881 
1 1 1 -12 -10 51 o 118.741 6.6597  1764.39    191.100  1375.79    329.679  1961.04    234.518  99.779  14.003  124.506 7.8023  -24.72614      16.02969 
1 1 1 -12 -10 52 o 21.157  7.0948  53.436     42.932   83.915     48.144   -64.9145   94.869   25.506  7.3667  19.040  8.7898  6.465712       11.46859 
1 1 1 -12 -10 53 o 39.871  5.7428  201.514    53.955   191.311    67.781   219.162    89.144   38.269  7.5677  40.443  9.2810  -2.173527      11.97522 
1 1 1 -12 -10 54 o 75.392  4.2779  702.429    77.934   636.695    105.793  780.432    115.242  71.050  6.1987  78.767  6.0768  -7.716980      8.680484 
1 1 1 -12 -10 55 o 70.926  5.2832  629.177    90.269   626.901    128.420  631.399    126.914  69.635  7.7309  69.959  7.5988  -0.3233185     10.84012 
1 1 1 -12 -10 56 o 57.855  4.6830  417.422    65.175   401.760    85.043   439.713    101.458  56.119  6.3577  58.286  7.3365  -2.167484      9.707908 
1 1 1 -12 -10 57 o 38.518  7.1265  194.537    64.152   194.537    64.152   0.0000     0.0000   38.518  7.1265  ?       ?       0.000000       7.126492 
1 1 1 -12 -10 58 o 54.451  6.2333  378.521    80.871   378.521    80.871   0.0000     0.0000   54.451  6.2333  ?       ?       0.000000       6.233263 
1 1 1 -12 -10 59 o 44.914  5.9529  257.601    63.277   222.269    71.803   380.432    133.878  41.089  7.4775  52.125  10.934  -11.03601      13.24656 
1 1 1 -12 -10 60 o 39.533  6.1554  201.094    57.122   205.223    65.034   187.153    119.497  39.624  7.0212  36.546  11.818  3.078598       13.74619 
1 1 1 -12 -10 61 o 28.789  6.4376  108.820    43.841   122.214    51.861   75.279     82.068   30.346  7.1591  25.911  9.6909  4.434988       12.04849 
1 1 1 -12 -10 62 o 19.562  8.4398  3.6480     72.986   396.096    359.487  -13.2242   74.538   47.611  19.509  18.714  8.2880  28.89661       21.19644 
1 1 1 -12 -9  1  o 67.064  4.3403  548.638    70.250   649.313    105.256  467.770    94.335   72.821  6.0107  61.678  6.3964  11.14235       8.777390 
1 1 1 -12 -9  2  o 115.739 4.8873  1627.59    137.251  1839.82    200.073  1438.94    188.636  122.787 6.7412  108.493 7.2067  14.29442       9.868114 
1 1 1 -12 -9  3  o 136.228 3.8059  2253.35    125.803  2341.97    186.195  2178.92    170.645  138.817 5.5279  133.909 5.2519  4.908081       7.625016 
1 1 1 -12 -9  4  o 210.954 4.9026  5405.86    250.943  5416.00    363.593  5396.65    346.777  211.003 7.1017  210.651 6.7846  0.3526764      9.821641 
1 1 1 -12 -9  5  o 137.526 3.8282  2296.26    127.745  2541.74    187.800  2084.87    174.274  144.641 5.3511  130.993 5.4830  13.64737       7.661421 
1 1 1 -12 -9  6  o 99.924  4.6757  1212.60    113.366  0.0000     0.0000   1212.60    113.366  ?       ?       99.924  4.6757  0.000000       4.675739 
1 1 1 -12 -9  7  o 120.480 5.0194  1763.00    146.735  0.0000     0.0000   1763.00    146.735  ?       ?       120.480 5.0194  0.000000       5.019434 
1 1 1 -12 -9  8  o 213.919 6.8755  5563.13    356.874  0.0000     0.0000   5563.13    356.874  ?       ?       213.919 6.8755  0.000000       6.875464 
1 1 1 -12 -9  9  f 324.323 9.7453  12812.56   766.901  12363.29   1104.01  13231.50   1066.10  317.849 14.315  329.004 13.355  -11.15503      19.57717 
1 1 1 -12 -9  10 o 229.657 10.205  6426.67    568.657  0.0000     0.0000   6426.67    568.657  ?       ?       229.657 10.205  0.000000       10.20485 
1 1 1 -12 -9  11 o 229.290 7.3677  6392.81    409.901  6600.90    598.077  6208.48    562.896  232.710 10.592  225.718 10.278  6.992157       14.75885 
1 1 1 -12 -9  12 o 316.307 6.7291  12161.49   516.454  11930.99   732.289  12389.60   728.478  312.979 9.6428  318.967 9.4125  -5.988129      13.47513 
1 1 1 -12 -9  13 o 208.707 4.7721  5289.76    241.663  5334.42    343.170  5245.83    340.373  209.482 6.7515  207.736 6.7527  1.746887       9.548920 
1 1 1 -12 -9  14 o 113.315 3.6148  1558.70    99.387   1608.53    141.261  1509.86    139.860  115.080 5.0589  111.491 5.1700  3.588356       7.233360 
1 1 1 -12 -9  15 f 99.351  3.4594  1198.19    83.395   1238.97    118.557  1158.25    117.329  101.001 4.8377  97.526  4.9747  3.475258       6.939106 
1 1 1 -12 -9  16 o 131.138 3.7709  2087.83    119.989  2094.62    170.173  2081.12    169.211  131.304 5.3413  130.881 5.3283  0.4233856      7.544570 
1 1 1 -12 -9  17 o 218.364 5.1029  5792.96    270.373  5616.70    383.397  5967.33    381.340  214.855 7.3543  221.482 7.0959  -6.626968      10.21946 
1 1 1 -12 -9  18 o 145.462 4.0157  2569.42    141.736  2714.44    201.066  2426.19    199.829  149.447 5.5448  141.276 5.8294  8.170822       8.045301 
1 1 1 -12 -9  19 f 121.337 3.7134  1787.70    109.329  1823.55    154.970  1752.19    154.260  122.495 5.2139  120.071 5.2948  2.424026       7.431014 
1 1 1 -12 -9  20 o 59.118  3.6824  426.042    52.559   373.816    74.349   478.213    74.311   55.163  5.6338  62.537  4.9374  -7.373680      7.491224 
1 1 1 -12 -9  21 o 255.254 5.6945  7924.10    352.688  7958.12    500.128  7890.44    497.435  255.484 8.0678  254.397 8.0586  1.087204       11.40308 
1 1 1 -12 -9  22 o 264.226 5.8069  8493.96    372.293  8385.31    527.909  8601.46    525.107  262.147 8.2995  265.531 8.1502  -3.384277      11.63216 
1 1 1 -12 -9  23 o 55.934  3.7738  381.774    50.917   347.623    71.568   416.777    72.455   53.156  5.6347  58.313  5.1746  -5.156612      7.650282 
1 1 1 -12 -9  24 o 358.962 10.622  15804.35   925.136  16313.73   1291.17  15266.94   1326.21  362.920 14.663  350.615 15.589  12.30490       21.40110 
1 1 1 -12 -9  25 o 385.250 11.208  18235.61   1047.74  18128.34   1463.94  18348.26   1500.18  381.749 15.805  383.875 16.106  -2.125946      22.56527 
1 1 1 -12 -9  26 o 200.213 6.7654  4885.97    328.661  5094.63    448.866  4644.81    482.553  204.064 9.0654  194.356 10.269  9.708557       13.69792 
1 1 1 -12 -9  27 o 55.577  3.8128  377.048    51.106   342.092    72.346   411.865    72.203   52.703  5.7506  57.956  5.1893  -5.253044      7.745891 
1 1 1 -12 -9  28 o 179.793 4.4952  3929.68    196.104  3973.97    279.204  3886.55    275.499  180.619 6.3708  178.623 6.3565  1.996002       8.999583 
1 1 1 -12 -9  29 o 130.064 3.9268  2055.51    123.925  2089.04    176.045  2022.57    174.477  131.021 5.5376  128.917 5.5779  2.104126       7.859855 
1 1 1 -12 -9  30 o 70.197  3.8394  600.491    65.146   539.939    87.682   675.108    97.334   66.386  5.4928  74.288  5.4376  -7.902786      7.729052 
1 1 1 -12 -9  31 o 97.167  3.8542  1147.18    90.869   1066.53    125.429  1236.27    131.827  93.448  5.5568  100.649 5.4179  -7.201401      7.760900 
1 1 1 -12 -9  32 o 109.751 5.9945  1471.22    159.030  1151.21    246.039  1700.86    208.419  96.256  10.716  117.847 7.3251  -21.59087      12.98066 
1 1 1 -12 -9  33 o 157.728 6.4670  3032.05    247.498  2588.94    375.381  3372.80    329.182  144.780 10.763  166.129 8.1663  -21.34900      13.51003 
1 1 1 -12 -9  34 o 326.121 9.9898  13051.46   790.494  12875.22   1151.02  13208.80   1087.54  321.763 14.743  326.434 13.730  -4.671234      20.14639 
1 1 1 -12 -9  35 o 250.018 5.6005  7612.98    339.752  7164.27    482.544  8054.11    478.445  242.001 8.2178  256.724 7.6807  -14.72337      11.24835 
1 1 1 -12 -9  36 o 100.339 3.8304  1223.86    93.257   1101.22    129.876  1354.38    133.991  94.901  5.6660  105.464 5.2361  -10.56278      7.714955 
1 1 1 -12 -9  37 o 62.811  4.1222  481.905    62.476   458.199    83.500   512.055    94.166   61.044  5.7035  64.505  6.0884  -3.461380      8.342583 
1 1 1 -12 -9  38 o 85.881  3.7550  896.975    78.248   882.472    111.036  911.282    110.286  84.902  5.4181  86.300  5.2924  -1.397430      7.573986 
1 1 1 -12 -9  39 o 24.216  6.4571  74.243     38.635   51.626     51.067   104.515    59.081   21.901  7.7228  28.774  8.1124  -6.872841      11.20058 
1 1 1 -12 -9  40 o 45.116  4.3284  250.292    46.801   282.637    64.922   215.297    67.529   47.750  5.7172  41.340  6.9808  6.409592       9.023196 
1 1 1 -12 -9  41 o 64.191  3.8437  503.710    59.592   465.585    83.405   543.470    85.174   61.425  5.6597  66.462  5.3264  -5.037556      7.771949 
1 1 1 -12 -9  42 o 30.553  5.4855  117.726    39.171   90.551     52.998   150.446    58.154   26.768  7.7285  34.310  7.2144  -7.541332      10.57253 
1 1 1 -12 -9  43 o 125.751 4.0270  1929.75    122.872  1830.44    175.755  2024.69    171.846  122.057 5.9345  128.481 5.5124  -6.424065      8.099642 
1 1 1 -12 -9  44 o 92.301  5.0849  1047.48    113.443  1122.96    144.766  927.388    182.611  95.248  6.2995  85.645  8.9183  9.603348       10.91873 
1 1 1 -12 -9  45 o 82.344  5.0162  834.801    99.746   809.420    126.422  876.657    162.346  80.674  6.5139  83.429  8.1227  -2.755051      10.41198 
1 1 1 -12 -9  46 o 49.424  5.3110  303.658    62.691   255.567    76.484   402.120    109.440  44.799  7.2866  56.114  8.2872  -11.31543      11.03506 
1 1 1 -12 -9  47 o 149.344 4.3930  2732.23    159.188  2798.28    229.015  2670.48    221.428  150.385 6.2762  146.940 6.2105  3.444473       8.829550 
1 1 1 -12 -9  48 o 124.629 4.2021  1901.92    127.072  1831.59    180.513  1971.02    178.913  121.522 6.1418  126.332 5.8366  -4.810211      8.472825 
1 1 1 -12 -9  49 o 114.685 4.2260  1611.59    117.599  1625.25    168.007  1598.48    164.663  114.419 6.0733  113.501 6.0004  0.9177856      8.537510 
1 1 1 -12 -9  50 o 64.520  7.6070  528.934    116.799  611.934    245.272  504.592    132.827  65.259  15.684  62.435  9.0301  2.823746       18.09798 
1 1 1 -12 -9  51 o 30.606  10.371  116.241    91.743   109.101    216.771  117.799    101.258  36.654  15.099  31.152  10.882  5.502131       18.61234 
1 1 1 -12 -9  52 o 89.004  4.2740  973.735    92.301   1060.12    131.178  889.023    129.899  92.155  5.8974  84.142  6.4108  8.012848       8.710791 
1 1 1 -12 -9  53 o 23.215  7.5416  66.848     48.627   24.204     59.807   150.033    83.530   19.738  8.0070  33.487  9.7126  -13.74825      12.58756 
1 1 1 -12 -9  54 o 33.306  6.4613  143.721    50.333   122.754    61.184   187.615    88.528   30.414  8.1331  37.159  9.7108  -6.744844      12.66678 
1 1 1 -12 -9  55 o 19.925  6.7937  47.098     39.372   114.929    45.716   -147.6822  77.469   29.655  6.5301  13.741  6.7466  15.91363       9.389304 
1 1 1 -12 -9  56 o 54.031  4.7149  364.578    61.194   369.706    79.359   357.057    96.110   53.875  6.1828  52.211  7.8278  1.663830       9.975061 
1 1 1 -12 -9  57 o 24.674  7.7784  78.434     52.020   78.434     52.020   0.0000     0.0000   24.674  7.7784  ?       ?       0.000000       7.778358 
1 1 1 -12 -9  58 o 30.151  6.4679  119.043    45.900   116.987    55.819   123.337    80.662   29.612  7.6975  30.398  9.6969  -0.7852631     12.38068 
1 1 1 -12 -9  59 o 50.455  5.7401  322.871    69.021   257.973    78.740   538.164    143.415  44.307  7.5976  63.141  9.6689  -18.83324      12.29675 
1 1 1 -12 -9  60 o 24.925  7.1702  81.435     45.691   65.578     55.194   115.964    81.446   23.275  8.0399  29.682  9.7658  -6.407673      12.64958 
1 1 1 -12 -9  61 o 27.695  7.1700  101.832    48.559   25.752     60.834   235.428    80.614   19.803  8.0597  41.941  8.2154  -22.13792      11.50870 
1 1 1 -12 -9  62 o 28.883  11.125  94.893     110.073  261.975    365.597  78.237     115.429  43.246  18.773  28.067  11.215  15.17908       21.86797 
1 1 1 -12 -8  1  o 103.930 4.7079  1312.19    118.723  1368.33    173.375  1262.62    162.912  105.839 6.7869  101.666 6.6406  4.172554       9.495206 
1 1 1 -12 -8  2  o 157.401 5.6745  3011.03    216.719  3068.37    311.438  2957.19    301.766  158.541 8.1232  155.647 8.0176  2.893890       11.41353 
1 1 1 -12 -8  3  o 38.419  3.4600  180.634    31.908   214.387    50.731   158.540    41.044   41.697  5.1218  35.803  4.8494  5.894299       7.053351 
1 1 1 -12 -8  4  o 99.449  3.4190  1200.52    82.501   1401.26    123.255  1037.58    111.046  107.415 4.7291  92.292  4.9772  15.12346       6.865600 
1 1 1 -12 -8  5  o 284.246 6.1019  9818.23    420.849  10281.73   599.201  9366.99    591.220  290.656 8.4963  277.395 8.7839  13.26074       12.22060 
1 1 1 -12 -8  6  o 250.292 7.7296  7619.25    469.429  0.0000     0.0000   7619.25    469.429  ?       ?       250.292 7.7296  0.000000       7.729617 
1 1 1 -12 -8  7  o 248.632 7.6866  7517.63    463.719  0.0000     0.0000   7517.63    463.719  ?       ?       248.632 7.6866  0.000000       7.686587 
1 1 1 -12 -8  8  o 310.569 7.6255  11728.61   574.635  11962.80   1018.88  11619.37   695.868  312.903 13.420  308.948 9.2828  3.954437       16.31752 
1 1 1 -12 -8  9  o 420.374 11.988  21559.22   1222.72  22344.81   1751.00  20811.58   1708.18  426.789 16.909  411.836 17.094  14.95273       24.04394 
1 1 1 -12 -8  10 o 62.407  6.6619  478.685    99.320   0.0000     0.0000   478.685    99.320   ?       ?       62.407  6.6619  0.000000       6.661919 
1 1 1 -12 -8  11 o 397.357 16.148  19350.50   1556.86  0.0000     0.0000   19350.50   1556.86  ?       ?       397.357 16.148  0.000000       16.14751 
1 1 1 -12 -8  12 o 301.920 6.4019  11076.99   468.994  11346.50   664.979  10810.26   661.549  305.333 8.9757  298.012 9.1488  7.320770       12.81658 
1 1 1 -12 -8  13 o 241.349 5.3401  7074.97    312.722  7151.54    443.791  6999.45    440.736  242.513 7.5419  239.918 7.5710  2.594742       10.68641 
1 1 1 -12 -8  14 o 247.497 5.4638  7440.73    328.114  7572.20    465.467  7310.88    462.593  249.521 7.6881  245.171 7.7762  4.350327       10.93506 
1 1 1 -12 -8  15 o 276.666 6.0582  9301.33    406.689  9200.81    576.635  9400.82    573.665  274.937 8.6438  277.924 8.5069  -2.986511      12.12771 
1 1 1 -12 -8  16 o 92.794  3.5093  1045.25    79.015   1044.13    112.156  1046.36    111.336  92.581  5.0114  92.683  4.9689  -0.1021881     7.057147 
1 1 1 -12 -8  17 o 41.235  4.2021  208.607    41.456   200.728    58.515   216.548    58.741   40.170  6.2033  41.792  5.9617  -1.622498      8.603604 
1 1 1 -12 -8  18 o 170.085 4.3997  3513.43    181.573  3556.11    257.852  3471.44    255.728  171.025 6.2136  168.975 6.2372  2.049713       8.804090 
1 1 1 -12 -8  19 o 109.936 3.7055  1467.49    98.843   1575.67    140.852  1362.54    138.743  113.874 5.0977  105.744 5.4257  8.130463       7.444800 
1 1 1 -12 -8  20 o 211.944 4.9316  5458.62    253.613  5952.14    360.145  4973.15    357.199  221.165 6.7111  202.106 7.2839  19.05885       9.904307 
1 1 1 -12 -8  21 o 235.484 5.3453  6741.81    305.421  6818.47    433.318  6666.13    430.556  236.570 7.5489  233.907 7.5862  2.662521       10.70214 
1 1 1 -12 -8  22 o 71.352  3.6443  619.932    62.882   671.876    89.403   569.075    88.462   74.175  4.9965  68.196  5.3900  5.979073       7.349670 
1 1 1 -12 -8  23 o 364.095 7.5940  16165.92   670.889  16364.39   950.620  15968.97   946.950  365.392 10.722  360.919 10.813  4.472809       15.22793 
1 1 1 -12 -8  24 o 319.880 9.5112  12521.98   738.222  12291.43   1026.11  12769.33   1062.86  315.583 13.400  321.568 13.622  -5.985504      19.10835 
1 1 1 -12 -8  25 o 298.289 9.0486  10883.42   654.907  10999.39   908.362  10757.89   945.087  298.757 12.531  295.210 13.194  3.546967       18.19620 
1 1 1 -12 -8  26 o 283.230 8.6977  9806.97    597.734  9990.75    827.178  9606.12    864.718  284.905 11.966  279.089 12.769  5.815460       17.49948 
1 1 1 -12 -8  27 o 237.385 5.3320  6856.04    307.122  6999.60    436.535  6715.34    432.171  239.524 7.5112  234.595 7.5923  4.928284       10.67989 
1 1 1 -12 -8  28 o 147.671 4.1349  2650.10    148.157  2646.30    210.620  2653.81    208.448  147.437 5.8875  147.652 5.8183  -0.2150574     8.277354 
1 1 1 -12 -8  29 o 162.691 4.3126  3217.08    170.240  3393.54    242.730  3046.25    238.830  166.950 5.9920  158.155 6.2236  8.795166       8.639309 
1 1 1 -12 -8  30 o 84.859  3.7923  874.901    78.084   875.565    106.523  874.131    114.796  84.678  5.2098  84.563  5.6268  0.1150436      7.668318 
1 1 1 -12 -8  31 o 163.272 4.4722  3240.76    177.173  3105.41    250.412  3376.44    250.711  159.649 6.4644  166.498 6.2058  -6.848923      8.961050 
1 1 1 -12 -8  32 o 32.075  9.3789  128.228    77.607   172.395    112.667  88.351     107.054  37.366  11.393  30.132  11.107  7.233618       15.91147 
1 1 1 -12 -8  33 o 46.378  8.1837  270.502    88.726   235.743    132.569  298.705    119.415  43.144  12.148  48.419  10.469  -5.274895      16.03660 
1 1 1 -12 -8  34 o 72.746  5.9826  648.977    104.664  777.637    176.232  578.869    130.092  79.127  9.3604  68.368  7.9929  10.75857       12.30871 
1 1 1 -12 -8  35 o 106.564 3.8101  1380.19    98.517   1345.90    140.286  1413.56    138.382  104.984 5.5266  107.755 5.2927  -2.770584      7.652248 
1 1 1 -12 -8  36 o 104.463 3.7984  1326.51    96.279   1292.26    138.054  1358.94    134.340  102.842 5.5530  105.638 5.2411  -2.795746      7.635720 
1 1 1 -12 -8  37 f 98.652  3.8006  1183.33    90.974   1183.94    129.282  1182.74    128.041  98.416  5.4349  98.373  5.3847  0.4302979E-01  7.650710 
1 1 1 -12 -8  38 o 43.319  4.5202  230.949    46.812   198.833    64.294   267.183    68.292   39.755  6.9165  46.363  6.2282  -6.608078      9.307422 
1 1 1 -12 -8  39 o 62.965  3.9132  484.366    59.490   519.292    84.178   449.518    84.084   65.009  5.3850  60.385  5.8105  4.623665       7.922162 
1 1 1 -12 -8  40 o 139.858 4.1178  2382.90    139.739  2330.43    199.166  2433.77    196.110  138.001 5.9480  141.071 5.7292  -3.070160      8.258493 
1 1 1 -12 -8  41 o 102.615 3.8372  1282.82    95.541   1228.68    136.105  1335.42    134.147  100.032 5.6304  104.366 5.3149  -4.334167      7.742723 
1 1 1 -12 -8  42 o 83.799  3.7414  855.849    76.074   832.143    107.815  879.353    107.356  82.249  5.4330  84.596  5.2561  -2.347221      7.559336 
1 1 1 -12 -8  43 o 95.720  3.8281  1117.62    88.910   1089.07    125.952  1145.97    125.524  94.054  5.5436  96.528  5.3807  -2.473854      7.725523 
1 1 1 -12 -8  44 o 162.955 6.2067  3272.84    245.409  3501.17    326.655  2976.97    371.840  167.661 8.0296  153.188 10.060  14.47252       12.87140 
1 1 1 -12 -8  45 o 51.926  5.3117  334.594    65.982   330.694    80.485   342.588    115.225  51.305  6.6197  51.340  9.6026  -0.3494644E-01 11.66319 
1 1 1 -12 -8  46 o 30.537  6.7666  119.982    48.818   137.919    57.775   75.211     91.275   32.657  7.4552  27.310  10.219  5.347143       12.64936 
1 1 1 -12 -8  47 o 80.288  4.2830  791.490    83.135   777.747    116.782  805.609    118.376  79.093  6.1332  80.514  6.1048  -1.421097      8.653573 
1 1 1 -12 -8  48 o 55.126  4.9278  376.270    65.217   389.007    90.220   362.331    94.383   55.555  6.8372  53.388  7.4922  2.166573       10.14305 
1 1 1 -12 -8  49 o 61.736  4.7035  470.778    69.927   604.500    97.036   326.315    100.858  69.705  5.7897  50.208  8.5876  19.49691       10.35698 
1 1 1 -12 -8  50 o 20.778  9.1449  -16.3808   89.384   59.380     200.766  -35.1104   99.823   33.812  14.272  21.059  9.4412  12.75362       17.11237 
1 1 1 -12 -8  51 o 24.238  9.9036  35.936     92.311   -286.9799  211.564  111.869    102.592  24.288  11.748  30.701  10.933  -6.412407      16.04823 
1 1 1 -12 -8  52 o 38.988  6.3961  194.455    58.410   211.840    80.915   175.539    84.403   40.028  8.5882  36.193  9.4932  3.835144       12.80153 
1 1 1 -12 -8  53 o 72.219  4.4566  645.222    77.713   667.515    108.525  621.760    111.336  72.815  6.2016  70.079  6.6263  2.736183       9.075641 
1 1 1 -12 -8  54 o 56.213  5.0202  394.739    67.754   423.735    92.229   360.743    99.862   57.623  6.7228  52.534  8.0941  5.088924       10.52192 
1 1 1 -12 -8  55 o 72.657  4.1935  653.213    73.616   719.993    105.789  590.513    102.507  75.631  5.8090  68.253  6.2594  7.378944       8.539627 
1 1 1 -12 -8  56 o 26.319  8.4200  89.523     60.785   89.523     60.785   0.0000     0.0000   26.319  8.4200  ?       ?       0.000000       8.420041 
1 1 1 -12 -8  57 o 46.697  6.5318  280.661    71.984   280.661    71.984   0.0000     0.0000   46.697  6.5318  ?       ?       0.000000       6.531769 
1 1 1 -12 -8  58 o 27.438  7.5426  99.790     51.773   112.478    58.151   51.288     113.701  29.031  7.9992  26.551  10.936  2.479242       13.54958 
1 1 1 -12 -8  59 o 26.955  7.5248  96.067     51.095   106.401    56.328   48.083     121.379  28.287  7.9023  26.960  11.219  1.326941       13.72256 
1 1 1 -12 -8  60 o 18.826  6.7907  38.966     39.702   67.382     45.721   -48.1496   80.053   23.000  7.2966  17.675  8.1286  5.325117       10.92312 
1 1 1 -12 -8  61 o 35.285  5.8225  160.342    48.111   147.397    58.785   186.604    83.728   33.253  7.4682  36.795  9.3568  -3.542233      11.97183 
1 1 1 -12 -8  62 o 56.029  9.8027  433.442    128.413  542.396    295.116  407.995    142.623  54.208  18.599  53.226  11.388  0.9818573      21.80790 
1 1 1 -12 -7  1  o 148.005 5.4901  2661.84    197.162  2842.38    282.682  2490.82    275.129  152.829 7.6231  142.825 7.9708  10.00369       11.02930 
1 1 1 -12 -7  2  o 251.612 7.7670  7702.90    474.186  8767.60    673.924  6658.96    667.325  268.136 10.358  233.202 11.832  34.93410       15.72572 
1 1 1 -12 -7  3  o 40.382  3.3312  199.280    32.348   226.600    47.573   175.786    44.117   42.948  4.6388  37.724  4.9383  5.223782       6.775372 
1 1 1 -12 -7  4  o 74.437  3.2157  672.508    58.080   657.428    84.063   686.280    80.339   73.426  4.7437  75.050  4.4314  -1.623611      6.491549 
1 1 1 -12 -7  5  o 112.258 4.9435  1530.34    134.652  0.0000     0.0000   1530.34    134.652  ?       ?       112.258 4.9435  0.000000       4.943455 
1 1 1 -12 -7  6  o 226.434 7.2311  6232.84    397.294  0.0000     0.0000   6232.84    397.294  ?       ?       226.434 7.2311  0.000000       7.231148 
1 1 1 -12 -7  7  o 160.905 5.7952  3145.00    226.259  0.0000     0.0000   3145.00    226.259  ?       ?       160.905 5.7952  0.000000       5.795235 
1 1 1 -12 -7  8  f 169.693 4.2533  3495.85    175.128  3751.70    249.528  3247.48    245.851  175.741 5.8517  163.493 6.1974  12.24797       8.523495 
1 1 1 -12 -7  9  o 76.998  5.0240  722.997    93.349   795.905    149.424  676.329    119.548  80.539  7.7417  74.302  6.7032  6.236572       10.24043 
1 1 1 -12 -7  10 o 80.295  5.0309  785.986    97.522   821.408    155.598  763.069    125.154  81.807  7.9388  78.971  6.5918  2.835762       10.31868 
1 1 1 -12 -7  11 o 165.161 5.9744  3313.74    239.424  3798.28    358.685  2924.35    321.544  176.712 8.3653  154.808 8.5940  21.90419       11.99311 
1 1 1 -12 -7  12 o 163.038 4.8977  3227.77    193.750  3462.35    355.148  3128.38    231.183  168.471 8.7179  160.474 5.9373  7.996460       10.54763 
1 1 1 -12 -7  13 o 221.051 5.0729  5934.02    272.093  5998.69    386.453  5870.44    383.163  222.143 7.1697  219.755 7.1859  2.388336       10.15094 
1 1 1 -12 -7  14 o 112.064 4.0735  1524.58    110.765  1634.19    182.515  1460.68    139.362  115.779 6.5234  109.666 5.2373  6.113121       8.365689 
1 1 1 -12 -7  15 o 77.284  3.5170  724.999    65.951   749.527    93.902   701.122    92.649   78.404  4.9616  75.811  5.0659  2.593109       7.090851 
1 1 1 -12 -7  16 o 37.460  4.5324  172.889    40.359   163.477    57.047   182.320    57.105   36.088  6.7634  38.219  6.3830  -2.131435      9.299790 
1 1 1 -12 -7  17 o 264.836 5.8233  8523.16    374.204  8471.03    530.767  8574.68    527.654  263.803 8.2920  265.423 8.1931  -1.619415      11.65693 
1 1 1 -12 -7  18 o 143.296 4.0218  2493.29    139.835  2553.90    198.967  2434.14    196.568  144.966 5.6566  141.523 5.7243  3.442657       8.047613 
1 1 1 -12 -7  19 o 360.376 7.5045  15808.11   656.211  16115.24   929.819  15503.35   926.236  363.276 10.549  356.276 10.714  7.000214       15.03576 
1 1 1 -12 -7  20 o 500.411 10.198  30586.51   1238.26  30973.63   1753.22  30201.20   1749.11  501.887 14.397  495.520 14.548  6.367401       20.46707 
1 1 1 -12 -7  21 o 88.427  3.6395  949.558    78.089   1026.24    111.265  875.121    109.623  91.752  5.0168  84.673  5.3634  7.078484       7.344013 
1 1 1 -12 -7  22 o 418.139 8.6353  21339.96   876.117  21580.18   1241.17  21101.39   1236.87  419.232 12.201  414.516 12.298  4.715820       17.32359 
1 1 1 -12 -7  23 o 76.312  3.5421  707.302    65.586   712.759    92.919   701.885    92.588   76.397  5.0409  75.807  5.0627  0.5897064      7.144395 
1 1 1 -12 -7  24 o 115.409 5.1238  1619.95    143.482  1414.40    190.617  1888.66    217.947  107.448 7.3556  124.248 7.2609  -16.79948      10.33568 
1 1 1 -12 -7  25 o 176.544 6.4037  3796.77    274.316  4245.84    371.982  3261.43    406.147  186.446 8.2225  162.776 10.337  23.67041       13.20831 
1 1 1 -12 -7  26 o 123.700 5.3589  1861.78    160.846  1927.68    212.834  1774.01    245.612  125.549 7.0146  120.198 8.4757  5.350616       11.00197 
1 1 1 -12 -7  27 o 82.018  3.7015  817.218    73.662   909.728    104.637  726.329    103.717  86.342  5.0162  77.056  5.5852  9.286385       7.507136 
1 1 1 -12 -7  28 o 56.077  3.9626  383.992    53.570   401.911    74.974   365.303    76.570   57.214  5.4672  54.466  5.8876  2.748329       8.034539 
1 1 1 -12 -7  29 o 181.900 4.6832  4022.91    206.699  4113.70    294.015  3934.18    290.648  183.747 6.5946  179.684 6.6664  4.062332       9.377074 
1 1 1 -12 -7  30 o 62.728  3.8449  479.862    58.237   502.146    81.510   456.623    83.237   64.028  5.2941  60.988  5.6905  3.040043       7.772330 
1 1 1 -12 -7  31 o 218.552 5.1366  5810.45    272.390  5641.77    387.348  5975.48    383.122  215.042 7.4236  221.358 7.1331  -6.315948      10.29517 
1 1 1 -12 -7  32 o 234.786 7.7576  6730.06    441.938  6790.68    657.802  6680.18    596.653  234.947 11.539  233.294 10.540  1.652359       15.62826 
1 1 1 -12 -7  33 o 154.980 6.2669  2926.53    235.665  2722.28    364.570  3073.15    308.875  148.619 10.171  158.392 8.0635  -9.772751      12.97954 
1 1 1 -12 -7  34 o 248.579 7.9717  7551.98    480.816  8068.77    715.734  7126.95    649.094  255.921 11.526  240.650 11.116  15.27145       16.01315 
1 1 1 -12 -7  35 o 122.584 3.9443  1826.61    117.320  1854.27    166.235  1799.17    165.596  123.390 5.5524  121.537 5.6153  1.852402       7.896908 
1 1 1 -12 -7  36 o 81.978  3.7718  816.929    75.025   810.298    104.908  823.871    107.335  81.391  5.3418  82.062  5.4211  -0.6714249     7.610731 
1 1 1 -12 -7  37 o 153.192 4.2924  2855.37    159.551  2824.42    226.942  2885.63    224.358  152.128 6.1481  153.787 6.0125  -1.659622      8.599411 
1 1 1 -12 -7  38 o 70.110  3.8336  599.716    64.968   607.664    90.212   591.154    93.641   70.392  5.3211  69.381  5.6104  1.010872       7.732437 
1 1 1 -12 -7  39 o 148.104 4.2333  2671.45    152.129  2590.48    216.859  2749.91    213.468  145.533 6.1412  149.998 5.8652  -4.464874      8.492054 
1 1 1 -12 -7  40 o 104.402 3.7734  1327.14    95.588   1236.29    135.558  1416.98    134.809  100.399 5.5867  107.711 5.1582  -7.311508      7.603803 
1 1 1 -12 -7  41 o 163.048 4.4727  3244.21    176.948  3253.83    252.854  3234.98    247.711  162.792 6.4014  162.353 6.2881  0.4382629      8.973177 
1 1 1 -12 -7  42 o 23.681  6.8204  70.658     41.320   83.970     53.037   50.100     65.910   25.912  7.7981  23.089  8.6749  2.823008       11.66468 
1 1 1 -12 -7  43 o 88.428  3.9883  954.418    85.574   853.423    120.594  1056.85    121.451  83.091  6.0224  92.663  5.4254  -9.571846      8.105783 
1 1 1 -12 -7  44 o 135.862 5.6318  2269.40    185.657  2257.07    242.199  2286.96    289.102  134.640 7.4426  134.803 8.8886  -0.1627655     11.59306 
1 1 1 -12 -7  45 o 72.154  5.0296  641.934    87.505   610.833    108.735  699.094    147.412  70.005  6.4748  74.322  8.3169  -4.316902      10.54005 
1 1 1 -12 -7  46 o 87.572  4.0138  937.697    85.287   920.133    119.704  955.805    121.545  86.211  5.7555  87.881  5.7314  -1.669449      8.122528 
1 1 1 -12 -7  47 o 134.381 4.3606  2212.04    142.184  2149.67    204.356  2270.56    197.955  131.750 6.3926  135.561 6.0182  -3.810944      8.779744 
1 1 1 -12 -7  48 o 21.867  7.6740  53.635     50.380   19.483     69.300   91.915     73.371   20.691  8.5322  27.582  9.2748  -6.890068      12.60234 
1 1 1 -12 -7  49 o 17.635  7.1615  17.123     47.900   -7.6093    65.054   46.410     70.791   18.159  7.9010  23.030  8.9073  -4.870607      11.90649 
1 1 1 -12 -7  50 o 123.273 6.9984  1905.43    208.467  1013.36    359.618  2356.92    255.839  81.934  18.524  136.651 7.7478  -54.71648      20.07879 
1 1 1 -12 -7  51 o 37.191  10.678  186.060    101.430  -75.1527   223.441  253.857    113.834  30.303  13.801  43.220  10.866  -12.91674      17.56565 
1 1 1 -12 -7  52 o 28.832  7.6333  109.016    54.240   61.304     75.263   160.576    78.238   24.559  9.2614  34.671  9.1622  -10.11159      13.02762 
1 1 1 -12 -7  53 o 36.570  6.1185  171.334    52.374   232.724    75.356   113.971    72.842   42.229  7.6354  29.535  9.1875  12.69363       11.94608 
1 1 1 -12 -7  54 f 54.064  4.8172  364.661    62.530   297.391    90.401   426.372    86.585   47.569  8.1238  57.973  6.2544  -10.40388      10.25255 
1 1 1 -12 -7  55 o 56.869  6.7661  414.593    91.532   414.593    91.532   0.0000     0.0000   56.869  6.7661  ?       ?       0.000000       6.766137 
1 1 1 -12 -7  56 o 60.078  6.9858  464.546    99.934   464.546    99.934   0.0000     0.0000   60.078  6.9858  ?       ?       0.000000       6.985813 
1 1 1 -12 -7  57 o 9.1419  4.5112  -77.5671   36.115   -65.2427   42.297   -110.7333  69.386   10.892  5.2645  13.689  6.6469  -2.797049      8.479122 
1 1 1 -12 -7  58 o 24.170  7.4725  75.354     48.270   62.529     53.269   134.225    114.127  22.819  7.8975  32.290  11.528  -9.470730      13.97375 
1 1 1 -12 -7  59 o 14.406  6.2951  -6.0607    41.689   -3.0166    45.581   -21.6389   103.111  15.323  6.6400  21.662  9.6616  -6.339315      11.72330 
1 1 1 -12 -7  60 o 15.423  6.4516  7.9153     40.439   -11.6171   48.418   52.967     73.533   15.119  6.6886  23.403  9.0707  -8.284270      11.27014 
1 1 1 -12 -7  61 o 22.352  7.6358  61.157     49.739   36.124     63.257   101.701    80.503   20.927  8.3214  28.144  9.7104  -7.217091      12.78822 
1 1 1 -12 -6  1  o 227.568 7.2990  6298.53    403.029  7328.34    560.874  5199.10    579.522  245.264 9.4247  206.037 11.640  39.22708       14.97691 
1 1 1 -12 -6  2  o 100.906 4.6038  1236.42    112.720  1243.27    152.522  1228.16    167.324  100.953 6.2574  100.274 6.9195  0.6793976      9.329228 
1 1 1 -12 -6  3  o 137.606 3.8523  2298.63    128.624  2379.08    184.003  2221.76    179.871  139.953 5.4185  135.244 5.4812  4.708450       7.707398 
1 1 1 -12 -6  4  o 64.244  4.5686  503.661    70.752   0.0000     0.0000   503.661    70.752   ?       ?       64.244  4.5686  0.000000       4.568563 
1 1 1 -12 -6  5  o 120.652 5.1500  1767.78    150.766  0.0000     0.0000   1767.78    150.766  ?       ?       120.652 5.1500  0.000000       5.149995 
1 1 1 -12 -6  6  o 168.883 5.9448  3464.60    243.605  0.0000     0.0000   3464.60    243.605  ?       ?       168.883 5.9448  0.000000       5.944792 
1 1 1 -12 -6  7  o 229.714 5.2524  6408.10    292.756  6835.98    416.018  5988.33    412.050  237.156 7.2296  221.942 7.6515  15.21437       10.52674 
1 1 1 -12 -6  8  f 225.782 5.9533  6192.21    326.144  6138.94    403.336  6292.84    554.348  224.733 7.3967  227.350 10.049  -2.617203      12.47771 
1 1 1 -12 -6  9  o 629.310 17.661  48565.78   2696.78  48369.83   3836.60  48757.15   3791.44  624.528 25.318  627.240 24.912  -2.712341      35.51909 
1 1 1 -12 -6  10 o 218.766 7.2547  5816.83    385.088  5612.59    566.241  5992.57    525.259  214.368 10.922  221.882 9.7564  -7.514252      14.64535 
1 1 1 -12 -6  11 o 220.221 9.8930  5904.00    528.632  0.0000     0.0000   5904.00    528.632  ?       ?       220.221 9.8930  0.000000       9.893041 
1 1 1 -12 -6  12 o 169.015 5.0402  3468.80    206.700  3661.32    377.531  3386.39    247.012  173.235 9.0127  166.960 6.0974  6.275620       10.88146 
1 1 1 -12 -6  13 o 119.812 3.7848  1742.48    110.028  1887.47    156.527  1600.85    154.697  124.669 5.1745  114.805 5.5534  9.864059       7.590454 
1 1 1 -12 -6  14 o 63.332  3.5206  488.347    53.888   455.866    75.919   521.329    76.502   61.049  5.1739  65.343  4.8599  -4.293648      7.098430 
1 1 1 -12 -6  15 o 139.984 3.9495  2378.82    134.148  2420.52    190.976  2338.21    188.476  141.161 5.5757  138.740 5.5987  2.421555       7.901536 
1 1 1 -12 -6  16 o 107.958 3.6325  1414.79    95.154   1455.26    135.368  1375.26    133.781  109.461 5.0967  106.408 5.1815  3.053146       7.268085 
1 1 1 -12 -6  17 f 236.381 5.4244  6788.31    311.122  6992.50    441.583  6587.03    438.421  239.751 7.5908  232.682 7.7654  7.069611       10.85920 
1 1 1 -12 -6  18 o 204.207 4.9146  5065.52    243.514  5103.93    345.754  5027.71    343.023  204.851 6.9561  203.316 6.9533  1.535233       9.835399 
1 1 1 -12 -6  19 o 101.475 3.6802  1250.24    90.613   1270.64    129.399  1230.62    126.930  102.125 5.2396  100.501 5.2231  1.624435       7.398293 
1 1 1 -12 -6  20 o 271.457 6.1116  8961.60    402.553  9051.05    570.938  8873.18    567.669  272.481 8.6355  269.785 8.6719  2.696198       12.23821 
1 1 1 -12 -6  21 o 53.693  3.9662  352.063    51.306   408.984    73.845   298.944    71.336   57.757  5.3294  49.198  6.1071  8.558952       8.105499 
1 1 1 -12 -6  22 o 107.905 3.7904  1414.24    99.241   1482.04    141.330  1348.29    139.387  110.401 5.2759  105.150 5.4822  5.251045       7.608523 
1 1 1 -12 -6  23 o 174.362 4.4753  3694.98    189.338  3515.85    268.756  3871.49    266.784  169.914 6.5188  178.336 6.1653  -8.421997      8.972481 
1 1 1 -12 -6  24 o 73.832  5.0194  665.980    89.387   714.405    115.786  594.548    140.627  76.334  6.3079  69.250  8.5509  7.084656       10.62575 
1 1 1 -12 -6  25 o 221.798 7.4537  6001.25    401.137  6773.25    549.544  5120.77    586.883  235.201 9.6294  203.677 11.927  31.52338       15.32928 
1 1 1 -12 -6  26 o 135.908 5.5703  2247.83    183.691  2290.72    244.008  2191.75    279.063  136.845 7.3760  133.639 8.6525  3.205475       11.36973 
1 1 1 -12 -6  27 f 97.176  3.7667  1147.24    88.815   1282.86    126.641  1015.98    124.592  102.701 5.0820  91.194  5.6586  11.50640       7.605693 
1 1 1 -12 -6  28 o 57.636  3.9508  405.521    54.918   429.722    77.274   380.822    78.064   59.181  5.4422  55.626  5.8725  3.555016       8.006491 
1 1 1 -12 -6  29 o 25.732  6.3555  83.844     39.447   76.555     56.951   90.566     54.690   25.377  8.1535  26.992  7.8677  -1.615421      11.33052 
1 1 1 -12 -6  30 o 211.600 5.0213  5445.73    257.811  5290.77    366.533  5597.45    362.696  208.285 7.2525  214.279 6.9759  -5.993256      10.06293 
1 1 1 -12 -6  31 o 8.8296  4.3486  -70.9640   33.008   -18.1993   45.143   -131.5843  48.387   14.371  6.4026  9.8411  4.9164  4.530404       8.072452 
1 1 1 -12 -6  32 o 140.561 6.0192  2406.14    205.291  2301.93    321.983  2477.51    266.479  136.721 9.7702  142.246 7.7500  -5.524368      12.47072 
1 1 1 -12 -6  33 o 156.358 6.2345  2978.74    236.529  2959.06    365.840  2992.87    310.047  155.061 9.7736  156.273 8.2054  -1.212631      12.76131 
1 1 1 -12 -6  34 o 211.093 7.4162  5441.10    379.858  5050.90    572.250  5748.46    507.890  202.089 11.721  216.487 9.6688  -14.39713      15.19399 
1 1 1 -12 -6  35 o 226.405 5.1828  6240.19    284.719  6398.83    405.677  6086.21    399.697  228.878 7.3049  223.201 7.3802  5.676804       10.38406 
1 1 1 -12 -6  36 o 46.799  4.4109  268.794    49.496   279.097    68.400   257.468    71.714   47.457  6.0799  45.443  6.7053  2.013641       9.051307 
1 1 1 -12 -6  37 o 66.576  3.9747  541.030    63.914   551.080    88.646   530.150    92.235   67.009  5.5006  65.665  5.8502  1.343895       8.030008 
1 1 1 -12 -6  38 o 121.839 4.0851  1806.75    120.770  1795.58    171.253  1817.80    170.339  121.263 5.8203  122.020 5.7533  -0.7567825     8.183958 
1 1 1 -12 -6  39 o 130.304 4.1637  2067.95    131.644  2000.06    188.139  2133.07    184.266  127.868 6.0639  132.107 5.7485  -4.238434      8.355634 
1 1 1 -12 -6  40 o 47.459  4.7156  277.518    53.583   253.881    73.183   304.832    78.669   44.958  6.9316  49.391  6.7403  -4.433903      9.668447 
1 1 1 -12 -6  41 o 217.133 5.2856  5768.73    278.474  5534.02    397.969  5993.91    389.801  211.643 7.7496  220.492 7.2860  -8.849319      10.63682 
1 1 1 -12 -6  42 o 158.950 4.4660  3086.52    172.245  2976.70    247.196  3190.17    240.139  155.478 6.5525  161.100 6.1433  -5.622589      8.981973 
1 1 1 -12 -6  43 o 82.707  4.0275  835.158    80.824   778.404    114.045  892.426    114.561  79.333  5.9683  85.073  5.5808  -5.739433      8.171048 
1 1 1 -12 -6  44 o 126.843 5.5213  1977.66    169.932  1988.11    220.059  1962.24    267.454  126.410 7.2044  124.778 8.8919  1.631927       11.44419 
1 1 1 -12 -6  45 o 87.680  4.9956  946.485    105.839  846.189    133.810  1114.09    172.978  82.385  6.7532  94.274  7.6274  -11.88880      10.18740 
1 1 1 -12 -6  46 o 74.666  4.0528  683.780    73.150   602.299    102.059  769.857    104.898  69.571  6.1077  78.887  5.5149  -9.316048      8.229093 
1 1 1 -12 -6  47 o 118.874 4.2576  1730.35    122.805  1689.43    175.379  1769.72    172.014  116.696 6.2162  119.703 5.9224  -3.006500      8.585775 
1 1 1 -12 -6  48 o 77.271  4.3546  734.117    81.312   733.911    115.400  734.320    114.588  76.726  6.2531  76.763  6.2051  -0.3719330E-01 8.809354 
1 1 1 -12 -6  49 f 48.884  9.4716  314.049    108.288  0.0021     226.024  407.610    123.368  33.219  14.583  55.872  9.4361  -22.65308      17.36967 
1 1 1 -12 -6  50 o 83.624  6.6344  877.278    133.510  689.920    269.360  938.299    153.722  68.604  16.403  86.149  7.4266  -17.54444      18.00625 
1 1 1 -12 -6  51 o 18.215  7.2210  24.183     47.498   -11.5799   67.930   58.394     66.439   18.228  7.9984  23.611  8.7413  -5.383215      11.84842 
1 1 1 -12 -6  52 o 44.397  5.3805  247.809    56.778   209.961    82.786   281.423    78.019   39.721  8.8194  46.793  7.0939  -7.072502      11.31841 
1 1 1 -12 -6  53 o 89.000  4.1817  975.213    90.305   1017.24    129.251  935.132    126.224  90.050  5.9490  86.266  6.0689  3.783104       8.498359 
1 1 1 -12 -6  54 o 30.431  8.9372  123.457    70.332   123.457    70.332   0.0000     0.0000   30.431  8.9372  ?       ?       0.000000       8.937164 
1 1 1 -12 -6  55 o 19.307  8.0504  16.033     62.678   16.033     62.678   0.0000     0.0000   19.307  8.0504  ?       ?       0.000000       8.050399 
1 1 1 -12 -6  56 o 32.298  7.3693  138.262    56.475   124.157    73.298   158.867    88.594   30.425  9.1699  34.041  10.040  -3.615515      13.59741 
1 1 1 -12 -6  57 o 28.116  7.8355  105.029    55.450   18.655     71.414   236.165    87.993   20.519  8.5775  41.790  8.9479  -21.27121      12.39507 
1 1 1 -12 -6  58 o 29.831  8.1816  118.964    60.998   163.477    69.143   -37.2979   129.547  34.889  8.2901  23.581  10.647  11.30831       13.49413 
1 1 1 -12 -6  59 o 28.415  7.5368  107.253    52.815   71.731     57.852   284.992    129.408  24.143  8.2352  44.600  11.782  -20.45634      14.37481 
1 1 1 -12 -6  60 o 26.031  7.0154  89.504     45.312   114.887    56.032   41.532     77.030   29.312  7.7573  22.767  9.1389  6.545338       11.98730 
1 1 1 -12 -6  61 o 34.164  11.545  162.325    113.683  0.0000     0.0000   162.325    113.683  ?       ?       34.164  11.545  0.000000       11.54460 
1 1 1 -12 -5  1  o 118.165 5.0163  1695.81    143.826  1892.06    194.303  1457.96    213.907  124.606 6.4486  109.172 8.1335  15.43473       10.37973 
1 1 1 -12 -5  2  o 214.594 4.9430  5592.22    257.377  6041.87    366.378  5154.12    361.641  222.960 6.7723  205.903 7.2385  17.05684       9.912649 
1 1 1 -12 -5  3  o 344.843 10.171  14482.78   851.075  0.0000     0.0000   14482.78   851.075  ?       ?       344.843 10.171  0.000000       10.17144 
1 1 1 -12 -5  4  o 318.809 9.5813  12371.58   741.174  0.0000     0.0000   12371.58   741.174  ?       ?       318.809 9.5813  0.000000       9.581313 
1 1 1 -12 -5  5  o 238.708 7.5351  6926.68    436.438  0.0000     0.0000   6926.68    436.438  ?       ?       238.708 7.5351  0.000000       7.535131 
1 1 1 -12 -5  6  o 329.546 6.9668  13197.17   557.072  13758.76   789.637  12640.73   786.012  336.227 9.6790  322.236 10.053  13.99051       13.95507 
1 1 1 -12 -5  7  o 608.695 12.143  45172.48   1793.46  44424.35   2537.94  45918.71   2534.73  602.086 17.372  612.237 17.063  -10.15118      24.35023 
1 1 1 -12 -5  8  o 680.654 19.141  56891.82   3161.19  55750.40   4493.15  58010.62   4448.38  669.417 27.662  683.356 26.828  -13.93909      38.53518 
1 1 1 -12 -5  9  o 678.335 18.957  56491.96   3120.23  56507.78   4435.00  56476.46   4390.69  674.280 27.108  674.253 26.838  0.2746582E-01  38.14551 
1 1 1 -12 -5  10 o 582.029 16.548  41475.49   2336.91  39843.14   3327.10  43064.98   3283.12  567.546 24.160  590.619 22.909  -23.07275      33.29502 
1 1 1 -12 -5  11 o 311.806 9.2694  11829.58   701.295  12353.40   1013.53  11348.43   971.378  318.168 13.128  304.952 13.128  13.21606       18.56602 
1 1 1 -12 -5  12 o 251.020 5.5588  7652.73    338.571  7205.08    479.872  8096.43    477.758  243.419 8.1247  258.072 7.6296  -14.65286      11.14549 
1 1 1 -12 -5  13 o 309.028 6.5718  11603.87   492.773  11570.36   698.045  11637.16   695.734  308.338 9.3302  309.233 9.2724  -0.8948059     13.15413 
1 1 1 -12 -5  14 o 338.119 7.0841  13895.98   581.188  13784.23   823.211  14007.03   820.643  336.433 10.084  339.155 9.9722  -2.722321      14.18236 
1 1 1 -12 -5  15 o 209.326 4.8847  5320.95    248.098  5360.06    351.846  5282.27    349.889  209.995 6.9052  208.465 6.9172  1.530106       9.773969 
1 1 1 -12 -5  16 f 114.942 3.7339  1603.81    104.139  1678.27    148.038  1530.86    146.523  117.548 5.1903  112.262 5.3791  5.285423       7.474872 
1 1 1 -12 -5  17 o 482.440 9.7519  28361.95   1141.55  27587.20   1615.82  29133.97   1612.97  474.689 14.029  487.941 13.624  -13.25189      19.55537 
1 1 1 -12 -5  18 o 228.097 5.3065  6321.32    293.694  6505.68    416.530  6139.03    414.172  231.238 7.4237  224.613 7.5995  6.625946       10.62371 
1 1 1 -12 -5  19 o 307.757 6.6626  11520.24   497.524  11797.24   705.080  11245.54   702.138  311.051 9.3421  303.660 9.5295  7.391144       13.34488 
1 1 1 -12 -5  20 o 103.743 3.7316  1306.92    93.933   1382.63    134.018  1233.81    131.694  106.661 5.1784  100.605 5.4148  6.056877       7.492388 
1 1 1 -12 -5  21 o 205.090 5.0104  5112.36    249.332  5307.29    353.987  4920.43    351.246  208.783 6.9876  201.007 7.2017  7.775543       10.03450 
1 1 1 -12 -5  22 o 157.682 4.2361  3020.89    162.074  2923.07    229.891  3117.55    228.529  154.985 6.1132  160.076 5.8837  -5.090775      8.484640 
1 1 1 -12 -5  23 o 363.569 10.802  16204.18   952.884  16781.88   1327.42  15590.00   1368.69  368.298 14.854  354.471 15.913  13.82693       21.76868 
1 1 1 -12 -5  24 f 109.252 5.1267  1451.74    135.903  1259.27    177.679  1723.10    210.974  101.367 7.2723  118.642 7.3650  -17.27547      10.35038 
1 1 1 -12 -5  25 o 319.044 9.5945  12461.81   742.740  12524.92   1029.90  12393.40   1072.16  318.516 13.326  316.573 13.958  1.942444       19.29784 
1 1 1 -12 -5  26 o 98.449  3.7311  1177.47    89.128   1252.94    126.941  1104.09    125.169  101.359 5.1788  95.104  5.4468  6.255394       7.515823 
1 1 1 -12 -5  27 o 122.910 3.8444  1835.40    114.652  1782.36    163.237  1887.04    161.070  121.026 5.5587  124.544 5.3300  -3.518532      7.701188 
1 1 1 -12 -5  28 f 127.760 3.9262  1983.24    121.710  2056.84    173.300  1911.59    170.972  130.016 5.4933  125.333 5.6221  4.683510       7.860296 
1 1 1 -12 -5  29 o 74.915  3.7798  683.557    68.485   642.971    96.573   724.616    97.134   72.482  5.5330  77.004  5.2297  -4.522598      7.613378 
1 1 1 -12 -5  30 o 180.110 4.6502  3944.04    203.223  3528.17    288.398  4354.21    286.413  170.120 6.9867  189.081 6.2428  -18.96051      9.369480 
1 1 1 -12 -5  31 o 205.906 7.1921  5170.86    359.326  5017.49    539.245  5293.34    481.903  201.818 11.054  207.914 9.5524  -6.095810      14.60953 
1 1 1 -12 -5  32 o 156.972 6.3129  3002.00    240.447  2761.91    369.137  3178.95    316.896  149.718 10.222  161.108 8.1328  -11.39018      13.06296 
1 1 1 -12 -5  33 o 220.063 7.5865  5913.05    405.089  5557.62    603.791  6204.00    546.282  212.081 11.780  224.880 10.012  -12.79903      15.45941 
1 1 1 -12 -5  34 o 223.073 5.2525  6057.09    284.298  5988.44    404.457  6124.14    399.703  221.421 7.5282  223.950 7.3557  -2.528778      10.52517 
1 1 1 -12 -5  35 o 133.296 4.1410  2160.47    133.933  2180.46    191.670  2141.39    187.229  133.756 5.9058  132.561 5.8210  1.195267       8.292257 
1 1 1 -12 -5  36 o 86.519  4.0185  910.320    84.360   865.568    120.590  953.209    118.056  84.039  5.9523  88.268  5.5402  -4.228844      8.131697 
1 1 1 -12 -5  37 o 117.350 4.1413  1675.59    117.920  1655.98    168.106  1694.59    165.453  116.326 5.9760  117.849 5.7861  -1.522377      8.318142 
1 1 1 -12 -5  38 o 125.213 4.1735  1908.77    126.798  1921.12    181.482  1896.99    177.233  125.389 5.9650  124.614 5.8616  0.7748260      8.362950 
1 1 1 -12 -5  39 o 92.346  3.9929  1038.50    89.469   1018.44    127.705  1057.84    125.385  91.078  5.8090  92.870  5.5903  -1.791862      8.061989 
1 1 1 -12 -5  40 o 26.916  6.7698  92.445     44.171   82.138     56.975   107.974    69.931   25.904  8.1365  29.426  8.9765  -3.522745      12.11533 
1 1 1 -12 -5  41 o 59.112  4.3607  428.768    62.103   469.835    86.310   384.680    89.428   61.629  5.8416  55.510  6.7804  6.118725       8.949758 
1 1 1 -12 -5  42 o 114.808 4.0783  1608.75    113.609  1554.28    160.846  1662.98    160.488  112.325 5.9226  116.399 5.6824  -4.073921      8.207698 
1 1 1 -12 -5  43 o 96.341  5.2203  1141.70    121.575  1126.46    154.400  1166.56    197.223  95.267  6.7226  96.307  8.5280  -1.040138      10.85914 
1 1 1 -12 -5  44 o 51.429  5.5068  328.748    67.650   359.346    81.893   263.001    120.043  53.574  6.4282  44.512  11.141  9.061928       12.86250 
1 1 1 -12 -5  45 o 53.575  5.3702  356.359    68.870   328.503    83.394   416.104    122.132  51.029  6.9133  56.808  9.1730  -5.779274      11.48643 
1 1 1 -12 -5  46 o 60.013  4.8962  444.968    70.675   447.388    100.129  442.565    99.773   59.608  7.0601  59.276  7.0768  0.3313179      9.996333 
1 1 1 -12 -5  47 o 101.809 4.1482  1268.79    102.474  1228.42    147.464  1306.49    142.503  99.473  6.1397  102.742 5.7392  -3.268822      8.404422 
1 1 1 -12 -5  48 o 17.650  7.0493  20.571     45.580   48.569     64.919   -6.6461    64.009   22.666  8.5884  18.087  7.8532  4.579227       11.63758 
1 1 1 -12 -5  49 o 93.622  6.3345  1093.67    143.052  1001.13    267.025  1130.91    169.414  85.725  13.266  94.724  7.4306  -8.999367      15.20525 
1 1 1 -12 -5  50 o 16.892  7.4079  -10.7672   58.197   -101.0572  150.175  5.1885     63.130   23.682  10.977  18.737  7.9609  4.945055       13.55983 
1 1 1 -12 -5  51 o 61.629  4.5760  470.276    67.939   466.634    98.595   473.569    93.748   60.657  6.8171  61.266  6.4009  -0.6089249     9.351151 
1 1 1 -12 -5  52 o 20.107  7.2601  43.883     45.398   8.6923     69.718   69.789     59.818   19.759  8.3791  24.215  8.3696  -4.456686      11.84311 
1 1 1 -12 -5  53 o 60.409  4.6307  453.474    67.359   323.719    97.261   573.073    93.377   49.601  8.3798  67.539  5.7528  -17.93784      10.16442 
1 1 1 -12 -5  54 o 81.787  6.2834  845.980    123.740  845.980    123.740  0.0000     0.0000   81.787  6.2834  ?       ?       0.000000       6.283422 
1 1 1 -12 -5  55 f 34.797  7.2446  159.537    59.178   160.548    77.294   158.105    91.994   34.371  9.1181  33.993  10.279  0.3776588      13.74056 
1 1 1 -12 -5  56 o 44.765  5.9821  255.767    63.350   270.217    83.712   236.402    96.912   45.248  7.9129  41.454  9.7911  3.793739       12.58885 
1 1 1 -12 -5  57 o 41.946  7.5260  231.233    73.783   241.897    83.493   193.214    157.642  42.563  8.3828  37.552  13.534  5.010994       15.91941 
1 1 1 -12 -5  58 o 17.225  7.5205  -6.1126    59.389   -0.7621    67.624   -24.1546   124.178  18.714  8.0986  23.639  10.569  -4.925480      13.31492 
1 1 1 -12 -5  59 o 38.687  6.4019  193.551    57.993   162.290    76.714   235.243    88.592   34.517  9.0490  41.646  9.0277  -7.128036      12.78213 
1 1 1 -12 -5  60 o 44.952  5.6137  257.125    59.895   195.821    79.147   339.282    91.625   37.931  8.7740  50.806  7.6714  -12.87488      11.65482 
1 1 1 -12 -4  1  o 328.575 9.8850  13147.77   788.086  14102.67   1098.07  12133.43   1131.73  339.773 13.319  314.904 14.812  24.86932       19.91948 
1 1 1 -12 -4  2  o 116.218 5.0656  1640.18    142.846  0.0000     0.0000   1640.18    142.846  ?       ?       116.218 5.0656  0.000000       5.065588 
1 1 1 -12 -4  3  o 197.793 6.6649  4753.73    319.868  0.0000     0.0000   4753.73    319.868  ?       ?       197.793 6.6649  0.000000       6.664939 
1 1 1 -12 -4  4  o 96.942  4.9596  1144.08    116.269  0.0000     0.0000   1144.08    116.269  ?       ?       96.942  4.9596  0.000000       4.959566 
1 1 1 -12 -4  5  o 409.712 9.6365  20428.16   957.994  20585.99   1178.12  20120.13   1645.89  410.974 11.814  405.358 16.734  5.616364       20.48427 
1 1 1 -12 -4  6  o 359.960 7.4600  15748.23   651.561  15719.45   922.940  15776.82   919.960  359.301 10.586  359.962 10.533  -0.6617737     14.93370 
1 1 1 -12 -4  7  o 295.441 6.2774  10603.01   449.999  10489.02   637.869  10715.96   634.931  293.655 8.9522  296.827 8.8158  -3.171326      12.56421 
1 1 1 -12 -4  8  o 176.452 6.1834  3782.00    264.737  4266.36    395.481  3388.73    356.358  187.298 8.7022  166.686 8.8426  20.61179       12.40645 
1 1 1 -12 -4  9  o 291.371 8.7418  10325.19   618.030  10965.43   896.180  9744.56    853.439  299.904 12.315  282.702 12.442  17.20218       17.50615 
1 1 1 -12 -4  10 o 351.056 10.299  15003.41   877.263  15225.39   1262.81  14796.36   1219.60  353.004 14.743  348.045 14.442  4.959381       20.63795 
1 1 1 -12 -4  11 o 386.016 7.8623  18114.90   736.413  17965.37   1042.56  18263.79   1040.33  384.016 11.189  387.209 11.073  -3.192749      15.74174 
1 1 1 -12 -4  12 o 86.713  3.5306  912.623    74.285   1010.47    105.468  816.297    104.647  91.101  4.7880  81.817  5.2998  9.284637       7.142386 
1 1 1 -12 -4  13 o 191.471 4.6307  4451.12    215.136  4596.85    305.199  4307.19    303.307  194.510 6.4666  188.275 6.6394  6.235718       9.268127 
1 1 1 -12 -4  14 o 109.677 4.0755  1460.26    108.457  1499.74    178.403  1437.12    136.598  110.894 6.6611  108.784 5.1751  2.109856       8.435170 
1 1 1 -12 -4  15 o 330.479 6.9470  13275.17   557.067  13549.32   788.944  13002.59   786.684  333.570 9.7475  326.749 9.9225  6.821136       13.90938 
1 1 1 -12 -4  16 o 447.820 9.1694  24416.53   996.340  24770.36   1410.26  24063.92   1407.82  450.271 12.908  443.763 13.075  6.507507       18.37296 
1 1 1 -12 -4  17 o 119.316 3.7742  1728.30    109.268  1755.85    155.601  1701.50    153.477  120.224 5.3341  118.348 5.3446  1.875519       7.550988 
1 1 1 -12 -4  18 o 387.943 8.0581  18320.50   758.511  18418.55   1073.98  18222.93   1071.42  388.324 11.398  386.248 11.432  2.075439       16.14356 
1 1 1 -12 -4  19 o 185.994 4.6946  4202.34    211.868  4320.04    300.825  4086.49    298.443  188.464 6.5784  183.290 6.7106  5.174515       9.397191 
1 1 1 -12 -4  20 o 159.111 4.2598  3075.07    164.460  3072.79    233.337  3077.32    231.832  158.956 6.0498  159.076 6.0063  -0.1201324     8.525021 
1 1 1 -12 -4  21 o 219.095 5.1381  5835.12    273.148  5769.23    387.292  5900.34    385.295  217.633 7.3341  220.106 7.2143  -2.473129      10.28768 
1 1 1 -12 -4  22 o 197.201 4.8012  4726.96    229.734  4831.61    325.956  4623.65    323.841  199.187 6.7443  194.842 6.8499  4.345444       9.612843 
1 1 1 -12 -4  23 o 246.409 7.9807  7408.97    477.156  8010.96    655.753  6731.57    695.612  255.669 10.571  233.635 12.314  22.03325       16.22876 
1 1 1 -12 -4  24 o 207.950 6.9963  5271.12    353.016  5385.89    480.507  5136.54    520.351  209.797 9.4392  204.409 10.527  5.388245       14.13929 
1 1 1 -12 -4  25 o 289.978 8.8739  10280.96   624.369  10293.34   862.425  10267.31   905.102  289.128 12.293  288.537 12.928  0.5907898      17.83980 
1 1 1 -12 -4  26 o 24.447  6.3942  75.461     38.362   54.545     52.528   99.368     56.158   22.444  7.8382  28.150  7.8996  -5.705633      11.12835 
1 1 1 -12 -4  27 o 144.151 4.1295  2525.15    144.436  2467.00    205.374  2582.06    203.171  142.356 5.9457  145.654 5.7488  -3.298233      8.270429 
1 1 1 -12 -4  28 o 229.892 5.3746  6429.77    299.801  6567.09    425.369  6294.22    422.610  232.019 7.5558  227.129 7.6684  4.890167       10.76539 
1 1 1 -12 -4  29 o 168.811 4.4061  3463.87    180.475  3666.41    257.533  3268.41    252.988  173.524 6.1166  163.811 6.3649  9.713364       8.827483 
1 1 1 -12 -4  30 o 96.350  4.8770  1131.80    113.644  896.058    178.930  1291.19    147.130  85.172  8.7842  102.815 5.9227  -17.64303      10.59437 
1 1 1 -12 -4  31 o 131.927 6.2108  2119.94    198.812  1881.78    317.211  2274.02    255.143  123.370 10.703  136.272 7.7484  -12.90137      13.21316 
1 1 1 -12 -4  32 o 271.814 8.6315  9035.12    569.273  9248.17    842.371  8856.02    772.329  273.747 12.682  268.162 11.870  5.584747       17.37026 
1 1 1 -12 -4  33 o 21.628  9.3615  -11.7469   90.384   -70.0269   160.623  15.258     109.337  26.735  11.982  25.398  10.615  1.337200       16.00757 
1 1 1 -12 -4  34 o 206.365 4.9997  5182.47    250.350  5248.70    357.487  5118.73    350.706  207.355 7.1053  204.780 7.0581  2.574966       10.01511 
1 1 1 -12 -4  35 f 246.777 5.5793  7419.53    334.079  7417.89    475.933  7421.12    469.060  246.211 7.9666  246.295 7.8489  -0.8454895E-01 11.18358 
1 1 1 -12 -4  36 o 222.509 5.3398  6033.07    288.296  6274.19    411.201  5799.96    404.309  226.434 7.4843  217.665 7.6553  8.768723       10.70595 
1 1 1 -12 -4  37 o 167.420 4.5716  3413.41    185.711  3456.68    265.370  3371.87    259.982  168.154 6.5040  166.089 6.4512  2.065567       9.160781 
1 1 1 -12 -4  38 o 150.299 4.3507  2751.65    158.663  2781.53    227.181  2723.20    221.687  150.799 6.2088  149.227 6.1225  1.572922       8.719782 
1 1 1 -12 -4  39 o 70.689  4.1913  610.997    71.569   571.045    99.675   653.516    102.826  68.025  6.1038  72.851  5.8668  -4.826561      8.466139 
1 1 1 -12 -4  40 o 27.312  6.7520  95.287     44.492   92.533     58.304   99.127     68.842   27.209  8.1734  28.394  8.9478  -1.185112      12.11888 
1 1 1 -12 -4  41 o 51.625  4.6519  328.260    57.646   360.350    77.408   288.307    86.374   53.850  6.0276  47.703  7.7266  6.147560       9.799623 
1 1 1 -12 -4  42 o 68.526  4.2183  575.654    69.799   551.316    95.671   603.350    102.059  66.707  5.9740  69.780  6.0888  -3.072609      8.530064 
1 1 1 -12 -4  43 o 59.243  5.2959  434.098    75.325   392.531    91.851   519.467    131.630  55.926  6.9161  63.896  8.7178  -7.970047      11.12800 
1 1 1 -12 -4  44 o 41.879  6.2185  220.954    61.271   190.841    74.127   285.901    108.863  38.391  8.2063  46.708  9.9124  -8.316605      12.86854 
1 1 1 -12 -4  45 o 32.703  5.6743  135.383    43.394   183.593    61.046   86.143     61.694   37.919  6.8887  26.428  8.4857  11.49042       10.92989 
1 1 1 -12 -4  46 o 102.332 4.1438  1281.43    102.891  1233.87    148.075  1325.83    143.072  99.724  6.1495  103.540 5.7170  -3.815895      8.396460 
1 1 1 -12 -4  47 o 76.459  4.3350  718.555    80.093   661.701    115.004  772.100    111.609  72.741  6.5874  78.848  5.8758  -6.107796      8.827161 
1 1 1 -12 -4  48 f 32.862  6.9377  139.380    53.582   182.226    78.628   102.230    73.215   37.229  8.8367  28.599  9.2506  8.629938       12.79296 
1 1 1 -12 -4  49 o 101.912 6.2745  1295.39    154.402  1356.84    286.205  1270.17    183.375  100.876 11.924  100.282 7.5925  0.5935745      14.13571 
1 1 1 -12 -4  50 o 48.507  7.9767  304.612    90.620   109.982    199.613  355.138    101.704  35.705  14.573  52.337  8.2847  -16.63186      16.76343 
1 1 1 -12 -4  51 o 71.644  4.3741  633.944    75.673   606.732    107.204  660.968    106.832  69.370  6.4426  72.555  6.1256  -3.184669      8.889893 
1 1 1 -12 -4  52 o 38.972  5.9208  193.473    54.227   286.063    77.937   106.588    75.498   47.158  7.0258  28.834  9.3985  18.32311       11.73426 
1 1 1 -12 -4  53 o 61.696  6.5771  484.416    96.942   484.416    96.942   0.0000     0.0000   61.696  6.5771  ?       ?       0.000000       6.577137 
1 1 1 -12 -4  54 o 31.500  9.3000  133.463    75.982   133.463    75.982   0.0000     0.0000   31.500  9.3000  ?       ?       0.000000       9.300032 
1 1 1 -12 -4  55 o 33.998  7.1738  152.303    57.319   167.398    75.255   131.447    88.459   35.152  8.8336  31.389  10.170  3.763271       13.47055 
1 1 1 -12 -4  56 o 46.979  5.7175  280.145    63.830   301.303    85.728   253.825    95.617   47.972  7.6197  43.170  9.3951  4.801857       12.09660 
1 1 1 -12 -4  57 o 23.507  8.6621  60.959     65.097   68.314     74.528   37.293     133.693  24.889  9.2495  27.336  11.599  -2.446787      14.83503 
1 1 1 -12 -4  58 o 41.510  7.5477  226.633    73.220   227.234    82.476   224.401    159.076  41.161  8.5381  39.647  13.652  1.513981       16.10189 
1 1 1 -12 -4  59 o 84.773  4.5101  892.831    92.437   787.584    127.409  1009.80    134.315  78.464  6.7581  89.233  6.2428  -10.76979      9.200214 
1 1 1 -12 -4  60 o 54.313  7.9800  390.033    102.029  0.0000     0.0000   390.033    102.029  ?       ?       54.313  7.9800  0.000000       7.979965 
1 1 1 -12 -3  1  o 87.297  3.8469  925.049    81.483   1196.70    134.452  767.363    102.438  99.102  5.6145  79.308  5.3546  19.79308       7.758529 
1 1 1 -12 -3  2  o 387.649 11.158  18310.47   1049.53  0.0000     0.0000   18310.47   1049.53  ?       ?       387.649 11.158  0.000000       11.15813 
1 1 1 -12 -3  3  o 106.140 5.0010  1367.92    128.796  0.0000     0.0000   1367.92    128.796  ?       ?       106.140 5.0010  0.000000       5.001015 
1 1 1 -12 -3  4  o 195.247 4.5749  4628.10    216.738  4624.79    308.544  4631.31    304.522  195.109 6.5174  195.250 6.4278  -0.1412201     9.153881 
1 1 1 -12 -3  5  o 575.178 11.485  40306.46   1602.81  40866.13   2267.97  39748.03   2265.48  577.960 16.172  569.936 16.382  8.023315       23.02002 
1 1 1 -12 -3  6  f 287.491 6.1742  10039.37   430.694  9945.92    610.211  10132.15   607.982  285.972 8.7941  288.646 8.6808  -2.673920      12.35692 
1 1 1 -12 -3  7  o 497.397 14.043  30201.62   1694.85  30719.72   2419.59  29702.53   2374.79  500.078 19.941  491.741 19.903  8.337646       28.17393 
1 1 1 -12 -3  8  o 499.817 14.097  30497.75   1709.60  31088.93   2440.76  29928.37   2395.35  503.056 19.996  493.576 20.001  9.480438       28.28219 
1 1 1 -12 -3  9  o 280.010 8.6221  9534.68    585.802  9512.17    851.002  9554.96    807.598  279.311 12.557  280.011 11.887  -0.7000427     17.29053 
1 1 1 -12 -3  10 o 551.881 15.490  37236.01   2074.19  37737.50   2956.70  36750.05   2910.54  553.426 22.018  546.159 21.963  7.267517       31.09943 
1 1 1 -12 -3  11 o 171.707 4.2465  3579.05    176.924  3560.81    250.680  3597.16    249.739  171.218 6.0340  172.091 5.9809  -0.8733978     8.495893 
1 1 1 -12 -3  12 o 107.889 3.6606  1412.81    95.827   1409.40    135.596  1416.21    135.444  107.734 5.1872  107.994 5.1689  -0.2602997     7.322843 
1 1 1 -12 -3  13 o 385.824 7.8653  18099.02   736.321  18170.68   1042.53  18027.69   1040.11  386.169 11.126  384.644 11.144  1.525146       15.74765 
1 1 1 -12 -3  14 o 80.313  3.6575  782.916    71.274   831.120    101.198  735.467    100.400  82.574  5.0754  77.634  5.3628  4.939423       7.383726 
1 1 1 -12 -3  15 o 85.589  3.5972  889.188    74.705   1060.10    106.101  721.163    105.203  93.319  4.7009  76.841  5.6828  16.47768       7.375142 
1 1 1 -12 -3  16 o 317.671 6.7368  12266.76   519.271  12313.04   735.583  12220.79   733.143  317.962 9.5344  316.768 9.5386  1.193909       13.48661 
1 1 1 -12 -3  17 o 477.541 9.8345  27792.80   1139.54  28445.15   1612.87  27142.60   1610.22  482.056 13.789  470.796 14.096  11.26053       19.71885 
1 1 1 -12 -3  18 o 120.888 3.8211  1774.35    112.082  1842.81    159.078  1706.86    157.944  123.154 5.3235  118.518 5.4923  4.635330       7.648868 
1 1 1 -12 -3  19 o 146.570 4.0954  2608.91    145.650  2724.87    206.762  2494.68    205.207  149.722 5.6914  143.248 5.9039  6.474335       8.200523 
1 1 1 -12 -3  20 o 94.137  3.6645  1076.10    83.703   1124.43    119.660  1029.80    117.129  96.048  5.1533  91.894  5.2752  4.153732       7.374566 
1 1 1 -12 -3  21 o 290.392 6.3782  10262.49   449.411  10363.75   636.810  10162.01   634.324  291.372 9.0074  288.511 9.0612  2.860626       12.77645 
1 1 1 -12 -3  22 o 217.414 5.2284  5748.02    275.815  6026.13    391.331  5473.49    388.803  222.374 7.2527  211.891 7.5623  10.48296       10.47804 
1 1 1 -12 -3  23 f 134.757 5.5554  2209.41    181.647  2157.04    240.962  2278.34    276.455  132.785 7.5096  136.340 8.3976  -3.554855      11.26561 
1 1 1 -12 -3  24 o 154.222 5.8226  2895.06    217.885  2665.64    291.026  3187.68    328.669  147.530 8.1617  161.323 8.4258  -13.79279      11.73056 
1 1 1 -12 -3  25 o 107.151 5.1268  1396.52    133.292  1247.42    174.620  1604.70    206.331  100.894 7.1797  114.455 7.4706  -13.56118      10.36138 
1 1 1 -12 -3  26 o 134.667 4.0467  2203.67    132.230  2240.56    187.408  2167.10    186.598  135.685 5.6924  133.437 5.7633  2.248108       8.100510 
1 1 1 -12 -3  27 o 125.226 3.9049  1905.29    118.651  1882.85    168.393  1927.42    167.210  124.392 5.5792  125.862 5.4752  -1.470467      7.816993 
1 1 1 -12 -3  28 o 216.733 5.1418  5713.38    270.399  5649.55    383.279  5776.62    381.531  215.235 7.3390  217.660 7.2242  -2.424683      10.29805 
1 1 1 -12 -3  29 o 177.092 4.6246  3812.79    198.719  3764.73    283.353  3859.31    278.765  175.777 6.6436  177.993 6.4546  -2.215881      9.262779 
1 1 1 -12 -3  30 o 203.212 4.9644  5022.35    244.785  4889.03    348.300  5152.47    344.095  200.229 7.1691  205.592 6.8977  -5.363037      9.948595 
1 1 1 -12 -3  31 o 105.254 6.2551  1354.21    159.031  1002.39    268.495  1544.34    197.379  89.293  12.755  112.284 7.2840  -22.99094      14.68825 
1 1 1 -12 -3  32 o 49.533  8.8493  309.064    102.455  486.813    194.928  241.215    120.432  61.594  13.422  43.487  11.308  18.10646       17.55052 
1 1 1 -12 -3  33 o 135.241 6.3988  2229.55    209.976  2115.04    339.001  2300.84    267.458  130.727 10.784  136.960 8.0840  -6.232285      13.47731 
1 1 1 -12 -3  34 o 78.851  4.1192  757.989    78.538   756.348    110.356  759.675    111.797  78.575  5.8298  78.740  5.8943  -0.1650848     8.290347 
1 1 1 -12 -3  35 o 87.981  4.1102  941.351    87.745   943.475    123.490  939.186    124.698  87.784  5.8309  87.573  5.9029  0.2105255      8.297189 
1 1 1 -12 -3  36 o 62.284  4.4280  474.507    66.483   457.702    90.717   494.005    97.714   60.919  6.2247  63.275  6.4549  -2.356335      8.967297 
1 1 1 -12 -3  37 o 32.747  6.0410  135.104    46.232   158.785    61.233   103.708    70.506   35.349  7.3776  29.076  9.0380  6.272907       11.66683 
1 1 1 -12 -3  38 o 39.703  5.5198  196.171    51.737   209.409    68.299   178.348    79.249   40.729  7.1731  37.279  8.8868  3.450253       11.42052 
1 1 1 -12 -3  39 o 63.408  4.2483  492.280    64.984   507.153    90.584   476.510    93.278   64.098  5.8902  62.040  6.2831  2.058132       8.612343 
1 1 1 -12 -3  40 o 128.923 4.1191  2027.02    128.854  1983.20    185.104  2068.22    179.480  127.153 5.9996  129.921 5.6934  -2.767715      8.271091 
1 1 1 -12 -3  41 o 34.378  5.5511  148.488    44.726   142.362    61.223   155.498    65.499   33.262  7.7324  34.750  7.9416  -1.487598      11.08418 
1 1 1 -12 -3  42 o 32.755  5.4994  135.171    42.159   97.235     58.482   176.214    60.829   27.699  8.1538  37.177  7.0002  -9.477701      10.74648 
1 1 1 -12 -3  43 o 70.266  5.2027  609.207    88.072   576.248    108.424  673.136    151.003  67.963  6.6605  72.833  8.7179  -4.870422      10.97106 
1 1 1 -12 -3  44 o 105.679 5.3233  1376.11    136.063  1375.17    173.460  1377.62    219.370  105.120 6.8379  104.394 8.7408  0.7261047      11.09769 
1 1 1 -12 -3  45 o 80.488  3.9662  792.002    77.458   806.731    110.126  777.581    108.967  80.726  5.6580  79.234  5.7061  1.492371       8.035722 
1 1 1 -12 -3  46 o 32.726  7.0000  138.005    53.903   105.893    79.660   165.128    73.209   29.316  9.6588  35.545  8.5849  -6.229620      12.92257 
1 1 1 -12 -3  47 o 76.592  4.2874  721.011    79.359   796.392    113.683  649.365    110.831  80.062  5.8935  72.094  6.4024  7.967079       8.701905 
1 1 1 -12 -3  48 o 49.287  7.7993  311.845    90.168   242.147    193.874  331.082    101.854  42.952  15.055  50.531  8.6163  -7.578896      17.34637 
1 1 1 -12 -3  49 o 100.279 6.4442  1257.43    155.969  1042.51    286.914  1347.58    185.823  86.565  14.149  103.310 7.4632  -16.74467      15.99646 
1 1 1 -12 -3  50 o 37.093  6.5752  176.706    57.012   206.373    76.827   140.348    85.052   39.631  8.2575  32.632  9.8874  6.998611       12.88204 
1 1 1 -12 -3  51 o 87.515  4.2631  942.380    90.525   1057.33    129.861  833.719    126.258  91.961  5.8502  81.355  6.4488  10.60613       8.707042 
1 1 1 -12 -3  52 o 87.145  6.1170  954.914    128.525  954.914    128.525  0.0000     0.0000   87.145  6.1170  ?       ?       0.000000       6.117001 
1 1 1 -12 -3  53 o 61.692  6.6221  485.183    97.575   485.183    97.575   0.0000     0.0000   61.692  6.6221  ?       ?       0.000000       6.622079 
1 1 1 -12 -3  54 f 34.412  6.6465  154.331    53.488   184.048    78.444   128.510    73.122   36.881  8.8736  30.935  9.1205  5.945848       12.72499 
1 1 1 -12 -3  55 o 28.713  7.6580  109.571    54.334   48.535     72.354   188.501    82.278   22.975  8.9718  37.199  9.1733  -14.22438      12.83129 
1 1 1 -12 -3  56 o 58.517  5.0157  428.704    70.528   367.470    96.729   498.210    103.055  53.019  7.7476  62.279  6.9376  -9.259365      10.39982 
1 1 1 -12 -3  57 o 15.682  7.1276  -30.1052   59.213   21.585     66.626   -224.4085  129.175  20.206  8.3521  17.901  8.7733  2.305344       12.11313 
1 1 1 -12 -3  58 o 62.014  5.0376  481.459    75.146   452.490    100.839  517.638    112.690  59.187  7.1678  63.179  7.4974  -3.992157      10.37247 
1 1 1 -12 -3  59 o 25.541  9.7382  69.549     83.795   0.0000     0.0000   69.549     83.795   ?       ?       25.541  9.7382  0.000000       9.738224 
1 1 1 -12 -3  60 o 25.767  10.265  62.672     96.414   0.0000     0.0000   62.672     96.414   ?       ?       25.767  10.265  0.000000       10.26483 
1 1 1 -12 -2  1  o 90.890  6.4473  1008.73    141.265  0.0000     0.0000   1008.73    141.265  ?       ?       90.890  6.4473  0.000000       6.447335 
1 1 1 -12 -2  2  o 520.281 14.578  33075.35   1840.33  0.0000     0.0000   33075.35   1840.33  ?       ?       520.281 14.578  0.000000       14.57786 
1 1 1 -12 -2  3  o 689.516 15.599  58136.94   2609.79  58821.50   4537.53  57798.54   3190.29  688.076 27.178  686.133 19.163  1.942749       33.25447 
1 1 1 -12 -2  4  o 446.057 10.221  24219.13   1106.24  25190.55   1360.15  22320.81   1901.37  454.571 12.332  426.644 18.367  27.92706       22.12264 
1 1 1 -12 -2  5  o 202.971 6.5818  5004.85    324.145  5185.36    457.996  4823.68    458.827  206.469 9.1420  199.117 9.4968  7.351395       13.18202 
1 1 1 -12 -2  6  o 202.051 4.8465  4956.49    237.604  5084.16    336.707  4829.85    335.342  204.565 6.7835  199.378 6.9318  5.187912       9.698791 
1 1 1 -12 -2  7  o 7.3943  3.7231  -96.9111   30.607   -13.5752   54.630   -135.0361  36.950   16.414  7.1885  7.6701  3.8867  8.744059       8.171947 
1 1 1 -12 -2  8  o 193.901 6.6496  4567.62    312.850  4686.58    463.081  4467.74    424.329  196.256 9.7245  191.653 9.1248  4.603378       13.33524 
1 1 1 -12 -2  9  o 189.310 6.5327  4353.73    300.074  4616.81    445.532  4135.29    405.962  194.805 9.4257  184.385 9.0739  10.41963       13.08360 
1 1 1 -12 -2  10 o 446.789 9.0121  24280.82   976.997  24299.58   1382.90  24262.12   1380.47  446.381 12.768  446.039 12.755  0.3418579      18.04764 
1 1 1 -12 -2  11 o 687.005 13.572  57604.61   2262.47  57514.39   3201.01  57694.66   3198.22  684.390 19.276  685.482 19.229  -1.091980      27.22698 
1 1 1 -12 -2  12 o 516.558 10.221  32486.21   1281.07  32850.29   1813.10  32123.24   1810.32  518.546 14.410  512.741 14.551  5.805298       20.47894 
1 1 1 -12 -2  13 o 93.270  3.6455  1055.90    82.501   1123.28    117.278  989.901    116.079  96.047  5.0501  90.127  5.3318  5.919983       7.343795 
1 1 1 -12 -2  14 o 118.305 3.7593  1698.91    107.914  1704.61    153.340  1693.31    151.897  118.472 5.3343  118.080 5.3016  0.3925171      7.520758 
1 1 1 -12 -2  15 o 333.637 6.8522  13529.77   554.710  14046.85   785.828  13016.22   783.136  339.657 9.5351  326.916 9.8727  12.74017       13.72544 
1 1 1 -12 -2  16 o 595.631 11.896  43306.82   1719.29  43706.03   2432.90  42908.57   2430.00  596.554 16.808  591.028 16.945  5.526123       23.86682 
1 1 1 -12 -2  17 o 168.962 4.2109  3466.44    172.635  3417.08    245.275  3514.91    243.026  167.678 6.0285  170.069 5.8893  -2.390274      8.427765 
1 1 1 -12 -2  18 o 114.529 3.8186  1592.62    106.118  1748.75    151.459  1442.08    148.725  119.971 5.2030  108.784 5.6540  11.18686       7.683691 
1 1 1 -12 -2  19 o 147.823 4.1895  2653.95    150.270  2800.20    213.633  2510.72    211.411  151.766 5.8014  143.694 6.0635  8.072449       8.391788 
1 1 1 -12 -2  20 o 206.141 4.9454  5164.31    247.362  5119.71    350.953  5208.35    348.704  205.067 7.0533  206.845 6.9478  -1.778107      9.900537 
1 1 1 -12 -2  21 o 302.147 6.5852  11113.80   482.782  11423.44   684.237  10806.82   681.286  305.823 9.2209  297.407 9.4409  8.416534       13.19680 
1 1 1 -12 -2  22 o 330.635 10.138  13382.27   813.343  14724.16   1130.13  11940.42   1171.46  345.634 13.476  310.051 15.622  35.58313       20.63077 
1 1 1 -12 -2  23 f 136.838 5.6206  2278.47    186.617  2241.63    248.326  2326.27    282.869  135.352 7.5919  137.745 8.5050  -2.392746      11.40054 
1 1 1 -12 -2  24 o 64.962  5.3229  516.819    83.165   625.374    105.597  339.502    134.960  71.402  6.1552  51.623  11.104  19.77909       12.69599 
1 1 1 -12 -2  25 o 170.083 4.5154  3516.56    186.348  3732.46    264.835  3304.84    262.256  175.070 6.2345  164.702 6.5624  10.36729       9.051719 
1 1 1 -12 -2  26 o 113.030 3.7986  1552.12    104.180  1561.60    148.370  1542.91    146.318  113.295 5.3972  112.617 5.3546  0.6776352      7.602770 
1 1 1 -12 -2  27 o 46.955  4.3991  270.322    49.535   268.508    69.638   272.181    70.477   46.532  6.3322  46.850  6.3645  -0.3176918     8.977942 
1 1 1 -12 -2  28 o 212.167 5.0412  5474.65    259.525  5454.54    369.126  5494.31    364.956  211.508 7.1926  212.293 7.0850  -0.7853241     10.09605 
1 1 1 -12 -2  29 o 294.303 6.3961  10550.45   456.743  10809.98   648.535  10295.03   643.360  297.318 8.9898  290.112 9.1395  7.206543       12.81979 
1 1 1 -12 -2  30 o 101.761 6.2324  1265.94    153.145  1317.69    250.058  1234.89    193.727  103.204 10.116  100.247 8.0319  2.957191       12.91669 
1 1 1 -12 -2  31 o 70.182  6.9930  606.517    117.499  614.927    214.013  602.888    140.581  69.467  13.179  69.727  8.4841  -0.2606506     15.67385 
1 1 1 -12 -2  32 f 68.972  7.1408  586.523    117.774  670.677    216.325  551.071    140.406  72.691  12.729  66.524  8.9234  6.166779       15.54494 
1 1 1 -12 -2  33 o 37.811  5.8150  178.164    51.641   236.730    70.651   110.979    75.670   43.520  6.9224  30.161  9.3612  13.35896       11.64266 
1 1 1 -12 -2  34 o 190.580 4.8405  4420.13    223.839  4522.97    319.762  4321.32    313.446  192.487 6.8464  188.144 6.8661  4.343140       9.696177 
1 1 1 -12 -2  35 o 83.130  3.9076  840.321    78.820   901.518    113.501  783.317    109.542  85.838  5.4781  79.961  5.6830  5.876732       7.893368 
1 1 1 -12 -2  36 o 192.407 4.8489  4509.76    226.374  4620.23    322.736  4402.78    317.609  194.355 6.8436  189.714 6.8997  4.641251       9.718090 
1 1 1 -12 -2  37 o 78.964  3.9129  758.863    74.970   747.606    107.066  769.692    105.013  78.036  5.6937  79.218  5.4973  -1.181671      7.914481 
1 1 1 -12 -2  38 o 71.785  3.9435  629.403    68.425   659.852    97.147   599.424    96.392   73.279  5.5039  69.782  5.7439  3.496330       7.955201 
1 1 1 -12 -2  39 o 69.296  4.0014  587.137    66.994   604.139    95.707   570.803    93.808   70.024  5.6819  68.042  5.7355  1.982094       8.073386 
1 1 1 -12 -2  40 o 67.008  4.0264  549.554    65.162   553.624    91.402   545.348    92.921   66.969  5.6785  66.434  5.8233  0.5353088      8.133601 
1 1 1 -12 -2  41 o 19.813  6.5730  46.042     36.868   99.599     49.065   -23.4114   55.874   27.869  7.2034  15.812  7.0780  12.05649       10.09888 
1 1 1 -12 -2  42 o 16.169  6.7302  7.7889     43.697   -31.1337   53.440   86.323     75.909   14.900  6.7720  27.314  9.4290  -12.41344      11.60888 
1 1 1 -12 -2  43 f 25.476  7.5027  82.157     49.507   94.448     57.858   48.560     95.659   27.295  8.1292  25.709  10.230  1.585657       13.06657 
1 1 1 -12 -2  44 o 69.528  5.2032  597.224    87.143   593.945    107.978  603.350    147.578  68.983  6.5287  68.663  9.0808  0.3207550      11.18414 
1 1 1 -12 -2  45 o 69.106  4.4029  587.263    73.442   556.662    105.219  616.336    102.558  66.719  6.5855  70.389  6.0641  -3.669899      8.952164 
1 1 1 -12 -2  46 o 10.356  5.0604  -78.4538   42.028   -64.6921   61.918   -90.2114   57.232   14.506  6.8285  12.655  6.1184  1.850295       9.168611 
1 1 1 -12 -2  47 o 52.271  5.0051  339.081    62.704   328.453    89.187   349.468    88.175   50.755  7.4650  52.496  7.1048  -1.741730      10.30560 
1 1 1 -12 -2  48 o 12.384  6.0023  -90.8838   55.915   -169.6487  156.279  -79.3209   59.878   22.301  10.601  13.504  6.4592  8.796415       12.41411 
1 1 1 -12 -2  49 o 27.296  9.0311  92.393     69.615   -57.0345   178.161  119.318    75.628   27.569  12.464  30.349  9.3485  -2.780136      15.58011 
1 1 1 -12 -2  50 o 61.506  4.7688  469.346    70.613   406.502    102.480  526.155    97.434   56.204  7.7185  64.634  6.2926  -8.430061      9.958487 
1 1 1 -12 -2  51 o 43.719  5.5213  241.076    57.265   296.051    82.586   190.166    79.474   47.884  7.3424  37.719  8.8381  10.16424       11.49008 
1 1 1 -12 -2  52 o 73.263  6.4667  679.838    113.776  679.838    113.776  0.0000     0.0000   73.263  6.4667  ?       ?       0.000000       6.466680 
1 1 1 -12 -2  53 o 12.595  5.8348  -33.3397   42.343   82.817     68.771   -104.2633  53.737   25.975  8.9743  11.463  5.6264  14.51183       10.59216 
1 1 1 -12 -2  54 o 42.878  6.2268  235.777    62.889   290.819    83.629   164.135    95.409   47.156  7.5647  34.571  10.472  12.58539       12.91809 
1 1 1 -12 -2  55 o 16.272  6.9583  2.2599     48.796   14.402     63.895   -14.7304   75.582   19.318  8.0973  18.867  8.3511  0.4512520      11.63217 
1 1 1 -12 -2  56 o 39.324  8.2665  206.593    76.373   196.605    87.705   237.928    155.340  37.886  9.5450  40.611  13.493  -2.724453      16.52789 
1 1 1 -12 -2  57 o 33.340  8.4485  149.666    68.431   183.131    77.033   24.424     149.023  36.806  8.7534  27.842  12.036  8.964033       14.88225 
1 1 1 -12 -2  58 o 25.014  7.6983  81.312     51.298   -14.4064   65.959   227.829    81.605   17.587  7.7922  41.205  8.4458  -23.61842      11.49131 
1 1 1 -12 -2  59 o 26.065  9.8649  75.136     85.587   0.0000     0.0000   75.136     85.587   ?       ?       26.065  9.8649  0.000000       9.864881 
1 1 1 -12 -1  1  o 530.406 14.817  34385.26   1906.90  0.0000     0.0000   34385.26   1906.90  ?       ?       530.406 14.817  0.000000       14.81686 
1 1 1 -12 -1  2  o 326.137 9.5416  12942.73   755.070  0.0000     0.0000   12942.73   755.070  ?       ?       326.137 9.5416  0.000000       9.541637 
1 1 1 -12 -1  3  o 149.253 4.0798  2704.02    147.750  2816.59    209.113  2591.81    208.786  152.291 5.6591  146.081 5.8904  6.209518       8.168322 
1 1 1 -12 -1  4  o 332.847 7.0710  13461.71   571.073  13962.22   807.503  12960.91   807.734  338.732 9.8248  326.322 10.201  12.41049       14.16315 
1 1 1 -12 -1  5  o 328.962 6.9426  13148.37   554.156  13296.63   783.740  13000.15   783.649  330.571 9.7711  326.854 9.8811  3.717041       13.89640 
1 1 1 -12 -1  6  o 308.266 9.2042  11558.82   688.455  11987.48   995.966  11166.57   952.718  313.514 13.093  302.603 12.976  10.91104       18.43312 
1 1 1 -12 -1  7  o 306.203 9.1909  11404.57   682.860  11643.94   987.540  11185.26   945.266  308.979 13.172  302.870 12.863  6.109467       18.41087 
1 1 1 -12 -1  8  o 313.679 9.4055  11969.89   715.867  12048.34   1033.84  11897.62   992.220  314.244 13.559  312.331 13.093  1.912170       18.84834 
1 1 1 -12 -1  9  o 342.519 8.3404  14264.18   693.163  14521.45   853.575  13765.97   1187.82  345.410 10.185  335.735 14.581  9.674438       17.78577 
1 1 1 -12 -1  10 o 147.220 4.1111  2630.88    146.856  2687.50    208.074  2574.68    207.299  148.757 5.7647  145.598 5.8678  3.158554       8.225780 
1 1 1 -12 -1  11 o 326.626 6.8507  12962.92   542.941  12718.86   768.387  13206.28   767.284  323.277 9.7958  329.434 9.5989  -6.156708      13.71487 
1 1 1 -12 -1  12 o 519.117 10.277  32811.10   1294.53  32363.52   1831.58  33257.86   1829.90  514.610 14.668  521.726 14.455  -7.116638      20.59400 
1 1 1 -12 -1  13 o 548.133 10.562  36595.95   1404.78  36133.01   1987.59  37058.02   1985.72  543.538 15.071  550.511 14.866  -6.973206      21.16878 
1 1 1 -12 -1  14 o 375.833 7.5348  17173.41   687.116  17308.57   972.768  17038.82   970.694  376.907 10.637  373.950 10.698  2.957733       15.08608 
1 1 1 -12 -1  15 o 140.696 4.0494  2403.18    138.241  2506.21    196.152  2301.51    194.858  143.635 5.6282  137.638 5.8347  5.997452       8.106796 
1 1 1 -12 -1  16 o 277.222 6.0610  9339.22    407.697  9372.34    577.682  9306.36    575.465  277.483 8.5800  276.504 8.5773  0.9780884      12.13210 
1 1 1 -12 -1  17 o 69.586  3.6892  589.517    62.067   593.389    88.087   585.700    87.469   69.691  5.2477  69.235  5.2457  0.4551773      7.419950 
1 1 1 -12 -1  18 o 81.028  3.6571  797.145    71.902   780.666    102.124  813.343    101.251  79.978  5.2924  81.656  5.1365  -1.677734      7.375162 
1 1 1 -12 -1  19 o 429.067 8.7012  22445.18   905.873  22089.96   1282.61  22798.73   1279.59  424.568 12.450  431.403 12.224  -6.835175      17.44837 
1 1 1 -12 -1  20 o 104.468 3.6399  1325.33    92.264   1284.41    131.517  1364.98    129.470  102.650 5.2983  105.972 5.0352  -3.321220      7.309294 
1 1 1 -12 -1  21 o 260.373 5.8356  8247.96    368.675  8280.73    522.882  8215.56    519.901  260.521 8.2718  259.496 8.2571  1.024567       11.68764 
1 1 1 -12 -1  22 o 128.606 5.4830  2012.05    171.097  1959.33    226.499  2082.13    261.112  126.554 7.4084  130.338 8.2996  -3.784241      11.12508 
1 1 1 -12 -1  23 o 105.757 5.2527  1360.51    134.790  1409.51    176.144  1291.28    209.377  107.336 6.7984  102.467 8.4981  4.869217       10.88281 
1 1 1 -12 -1  24 o 119.569 5.5037  1739.64    159.675  1951.96    210.846  1454.13    244.504  126.363 6.9029  108.620 9.3687  17.74213       11.63710 
1 1 1 -12 -1  25 o 129.233 4.0269  2029.37    126.272  2042.08    179.473  2016.91    177.692  129.535 5.7102  128.736 5.6886  0.7992554      8.060170 
1 1 1 -12 -1  26 o 38.845  4.9499  186.450    45.595   167.988    64.090   205.370    64.878   36.453  7.4963  40.503  6.8456  -4.049667      10.15168 
1 1 1 -12 -1  27 o 379.221 7.8709  17550.73   724.241  17199.18   1026.11  17899.71   1022.37  374.231 11.300  381.884 11.033  -7.653229      15.79345 
1 1 1 -12 -1  28 f 120.507 3.9695  1764.51    116.069  1677.86    165.665  1848.06    162.668  117.408 5.8153  123.244 5.4397  -5.836433      7.962853 
1 1 1 -12 -1  29 o 248.558 5.5938  7518.63    337.365  7936.10    479.454  7109.24    474.791  255.001 7.7489  241.283 8.1098  13.71791       11.21672 
1 1 1 -12 -1  30 o 211.838 7.2193  5473.51    371.077  5840.60    560.808  5187.62    494.913  218.156 10.595  205.746 9.9136  12.41005       14.50947 
1 1 1 -12 -1  31 o 189.310 6.9351  4370.42    318.559  4199.43    485.336  4499.84    422.244  184.566 10.886  191.740 9.0758  -7.174606      14.17279 
1 1 1 -12 -1  32 f 274.049 8.5402  9187.79    567.883  9958.93    841.167  8541.97    769.788  284.092 12.203  263.159 12.056  20.93231       17.15358 
1 1 1 -12 -1  33 o 198.618 4.9751  4800.79    239.765  4801.81    341.599  4799.80    336.615  198.323 7.0987  198.299 6.9960  0.2368164E-01  9.966699 
1 1 1 -12 -1  34 o 124.436 3.9946  1882.73    120.610  2008.60    172.457  1762.22    168.740  128.397 5.5356  120.241 5.7836  8.155907       8.005795 
1 1 1 -12 -1  35 o 179.703 4.6709  3931.47    203.669  3928.38    290.895  3934.43    285.250  179.307 6.6861  179.470 6.5504  -0.1634521     9.360158 
1 1 1 -12 -1  36 o 41.479  5.1334  212.915    50.561   171.849    71.613   253.733    71.397   36.693  8.2446  45.057  6.7374  -8.364567      10.64738 
1 1 1 -12 -1  37 o 214.779 5.2003  5630.01    271.008  5801.38    386.171  5463.71    380.421  217.389 7.3211  210.929 7.4330  6.459427       10.43303 
1 1 1 -12 -1  38 o 122.588 4.0443  1830.94    120.297  1864.74    171.977  1798.55    168.333  123.450 5.7414  121.242 5.7220  2.207321       8.105879 
1 1 1 -12 -1  39 f 28.183  6.2604  101.260    41.697   129.923    56.517   67.023     61.769   31.836  7.4488  24.464  8.5022  7.372021       11.30358 
1 1 1 -12 -1  40 o 76.272  3.9985  711.586    73.742   682.167    104.290  741.001    104.283  74.331  5.8292  77.543  5.5798  -3.212105      8.069331 
1 1 1 -12 -1  41 o 34.677  5.6936  151.443    46.243   149.928    64.415   153.053    66.428   34.081  7.9374  34.417  8.0909  -0.3362274     11.33424 
1 1 1 -12 -1  42 o 55.995  5.4452  388.707    73.046   361.117    89.626   443.290    126.062  53.555  7.0700  58.789  9.1338  -5.234020      11.55032 
1 1 1 -12 -1  43 o 93.592  5.3035  1079.79    119.943  1076.26    150.198  1086.01    199.269  93.002  6.7008  92.517  8.9903  0.4854584      11.21280 
1 1 1 -12 -1  44 o 55.575  4.3849  380.494    58.650   438.850    82.542   320.988    83.351   59.391  5.8019  50.393  7.0063  8.997948       9.096707 
1 1 1 -12 -1  45 o 54.302  4.7749  364.569    62.273   400.576    92.104   334.248    84.520   56.402  6.8721  51.431  6.9509  4.971695       9.774533 
1 1 1 -12 -1  46 o 73.054  4.2983  656.136    75.856   816.871    110.812  514.388    104.061  81.169  5.6619  63.985  6.8072  17.18351       8.854070 
1 1 1 -12 -1  47 o 31.830  8.0515  132.354    62.228   123.865    176.002  133.567    66.525   35.549  13.961  31.949  8.4513  3.600536       16.31977 
1 1 1 -12 -1  48 o 33.294  8.3684  145.757    67.526   -202.8651  190.020  196.145    72.241   24.428  11.635  38.790  7.9427  -14.36211      14.08722 
1 1 1 -12 -1  49 o 54.104  7.1848  373.695    91.988   506.516    218.117  344.960    101.452  58.935  15.165  51.486  8.4115  7.448265       17.34149 
1 1 1 -12 -1  50 f 38.175  6.0973  185.981    54.577   158.070    85.211   205.396    71.067   34.335  9.7644  39.658  7.6627  -5.323032      12.41215 
1 1 1 -12 -1  51 o 61.015  6.6491  473.355    96.844   473.355    96.844   0.0000     0.0000   61.015  6.6491  ?       ?       0.000000       6.649100 
1 1 1 -12 -1  52 o 21.705  8.5879  38.710     67.063   38.710     67.063   0.0000     0.0000   21.705  8.5879  ?       ?       0.000000       8.587879 
1 1 1 -12 -1  53 o 32.850  6.8916  141.527    53.179   128.590    79.516   151.996    71.530   31.003  9.5918  33.564  8.7084  -2.560837      12.95523 
1 1 1 -12 -1  54 o 31.795  7.7608  134.784    59.348   92.367     79.634   187.772    89.006   27.400  9.6459  36.950  9.7761  -9.549505      13.73372 
1 1 1 -12 -1  55 o 13.197  6.1670  -43.7977   48.934   -35.5713   66.116   -53.7633   72.769   16.410  7.4867  16.451  7.6308  -0.4108620E-01 10.69011 
1 1 1 -12 -1  56 o 13.137  6.3099  -80.1075   58.495   -110.4308  65.350   42.124     131.204  13.106  6.3835  27.417  11.553  -14.31036      13.19952 
1 1 1 -12 -1  57 o 18.890  7.9534  11.823     62.095   -13.4052   69.370   113.535    139.288  18.129  8.0137  31.908  12.451  -13.77909      14.80737 
1 1 1 -12 -1  58 o 14.348  6.9262  -104.7388  72.663   0.0000     0.0000   -104.7388  72.663   ?       ?       14.348  6.9262  0.000000       6.926161 
1 1 1 -12 -1  59 o 23.253  9.0116  53.555     72.571   -115.2296  205.799  77.524     77.553   26.715  12.536  25.709  9.4574  1.006178       15.70326 
1 1 1 -12 0   1  o 369.832 10.766  16657.44   966.126  0.0000     0.0000   16657.44   966.126  ?       ?       369.832 10.766  0.000000       10.76627 
1 1 1 -12 0   2  o 116.986 3.6996  1661.09    105.014  1642.23    148.820  1679.79    148.207  116.294 5.2740  117.618 5.1932  -1.323830      7.401649 
1 1 1 -12 0   3  o 53.391  3.5712  347.529    45.998   374.908    65.606   321.057    64.509   55.349  4.9369  51.149  5.2734  4.199741       7.223660 
1 1 1 -12 0   4  o 309.304 6.7396  11622.88   505.804  11858.73   714.745  11386.28   715.887  312.216 9.4348  305.914 9.6445  6.301361       13.49193 
1 1 1 -12 0   5  o 453.455 12.968  25074.79   1426.88  24987.83   2040.05  25158.07   1996.48  451.440 18.624  453.092 18.160  -1.652557      26.01240 
1 1 1 -12 0   6  o 502.574 14.389  30837.23   1754.69  29754.37   2504.38  31881.41   2459.24  491.932 20.981  509.554 19.891  -17.62253      28.91100 
1 1 1 -12 0   7  o 451.667 13.011  24878.24   1425.88  24224.27   2039.34  25503.71   1994.40  444.415 18.912  456.229 18.016  -11.81421      26.11989 
1 1 1 -12 0   8  o 296.216 9.1615  10672.80   658.471  9861.54    953.033  11413.82   910.837  284.266 13.817  306.012 12.267  -21.74603      18.47682 
1 1 1 -12 0   9  o 43.553  4.2448  232.444    44.288   175.014    63.442   287.032    61.852   37.312  7.2688  48.322  5.3659  -11.00952      9.034876 
1 1 1 -12 0   10 o 108.483 4.1760  1428.57    109.923  1451.55    138.537  1389.52    180.607  109.335 5.2221  106.706 7.0147  2.628639       8.745065 
1 1 1 -12 0   11 o 363.147 7.4538  16028.72   656.782  15796.19   928.640  16261.43   929.020  360.160 10.626  365.445 10.477  -5.284393      14.92278 
1 1 1 -12 0   12 o 21.091  6.4204  54.177     35.802   54.211     51.286   54.144     50.001   22.332  7.7480  22.206  7.6534  0.1263790      10.89060 
1 1 1 -12 0   13 o 406.549 8.2102  20101.45   809.897  20480.93   1145.69  19722.39   1145.04  409.881 11.520  402.182 11.734  7.698242       16.44343 
1 1 1 -12 0   14 o 259.903 5.8611  8206.08    369.619  8267.56    523.078  8144.76    522.363  260.702 8.2691  258.754 8.3200  1.947601       11.73028 
1 1 1 -12 0   15 o 510.950 10.233  31814.65   1268.62  31195.83   1794.80  32432.50   1793.39  504.778 14.654  514.779 14.358  -10.00140      20.51544 
1 1 1 -12 0   16 o 32.554  5.4658  132.260    41.643   162.267    59.783   103.976    58.041   35.903  7.1140  28.816  8.0114  7.086651       10.71403 
1 1 1 -12 0   17 o 82.386  3.6648  824.041    73.259   784.721    103.265  863.881    103.947  80.187  5.3379  84.170  5.1139  -3.983612      7.392241 
1 1 1 -12 0   18 o 107.083 3.7500  1392.35    97.434   1355.64    138.181  1428.65    137.407  105.475 5.4176  108.426 5.2229  -2.951843      7.525202 
1 1 1 -12 0   19 o 68.647  3.8164  574.059    63.317   561.724    89.122   586.630    89.971   67.756  5.4675  69.258  5.3964  -1.502815      7.682124 
1 1 1 -12 0   20 o 179.665 4.5926  3922.59    200.210  4100.64    284.557  3748.04    281.744  183.556 6.3891  175.466 6.6175  8.089340       9.198490 
1 1 1 -12 0   21 o 10.202  5.0057  -86.0346   42.429   -29.2726   53.049   -186.8096  70.684   15.066  6.8070  12.015  5.9932  3.050117       9.069339 
1 1 1 -12 0   22 o 155.970 5.8930  2960.91    223.016  2739.96    298.678  3239.32    335.270  149.579 8.2614  162.631 8.5259  -13.05156      11.87192 
1 1 1 -12 0   23 o 18.575  7.2974  24.053     48.101   57.117     58.709   -43.4705   83.898   23.301  8.2736  19.057  8.5901  4.244020       11.92650 
1 1 1 -12 0   24 o 139.020 4.0143  2348.37    135.408  2255.71    192.735  2438.69    190.281  136.131 5.8350  141.568 5.5395  -5.436615      8.045662 
1 1 1 -12 0   25 o 17.947  6.4895  32.398     36.290   17.128     51.940   46.963     50.725   18.454  7.4703  21.393  7.6804  -2.938833      10.71420 
1 1 1 -12 0   26 o 290.641 6.3890  10288.33   450.558  10585.52   638.957  9994.42    635.429  294.258 8.9491  285.872 9.1608  8.385834       12.80649 
1 1 1 -12 0   27 o 235.832 5.4445  6766.79    311.551  6889.70    442.676  6646.16    438.551  237.630 7.6775  233.380 7.7445  4.249237       10.90511 
1 1 1 -12 0   28 o 230.081 5.2974  6440.09    295.740  6608.92    420.798  6275.30    415.726  232.764 7.4506  226.796 7.5545  5.968353       10.61051 
1 1 1 -12 0   29 o 264.576 8.5355  8554.97    547.950  8297.44    808.935  8773.33    744.862  259.365 12.854  267.140 11.491  -7.774475      17.24174 
1 1 1 -12 0   30 o 94.915  5.8447  1100.98    133.951  888.983    230.341  1209.31    164.655  84.259  11.572  99.360  6.8719  -15.10110      13.45875 
1 1 1 -12 0   31 o 33.149  9.2792  138.357    77.587   258.611    154.221  97.607     89.775   45.289  13.215  29.654  10.253  15.63465       16.72623 
1 1 1 -12 0   32 o 315.073 6.5485  12105.15   500.629  12410.47   711.024  11804.97   705.007  318.231 9.2083  310.318 9.3631  7.912964       13.13243 
1 1 1 -12 0   33 o 243.963 5.6190  7250.69    332.622  7265.98    473.177  7235.77    467.668  243.704 8.0020  243.216 7.9247  0.4875793      11.26199 
1 1 1 -12 0   34 o 36.488  5.4103  165.707    46.448   169.181    66.530   162.403    64.877   36.502  7.7513  35.756  7.7051  0.7458801      10.92937 
1 1 1 -12 0   35 o 129.917 4.1094  2053.65    129.541  2308.71    185.749  1812.15    180.749  137.582 5.5642  121.669 6.1424  15.91295       8.287921 
1 1 1 -12 0   36 o 104.508 3.9885  1329.34    101.138  1333.00    144.076  1325.78    142.009  104.321 5.7136  104.049 5.6460  0.2726364      8.032614 
1 1 1 -12 0   37 o 16.635  6.4337  21.793     36.933   60.756     50.240   -24.0199   54.478   22.902  7.6749  15.591  6.9832  7.311618       10.37643 
1 1 1 -12 0   38 o 76.218  3.9369  709.700    72.560   742.457    103.465  677.997    101.786  77.707  5.5234  74.207  5.6964  3.499535       7.934556 
1 1 1 -12 0   39 o 19.271  6.8225  39.879     39.893   71.256     55.849   7.1919     57.003   24.504  8.0881  18.220  7.6432  6.283636       11.12821 
1 1 1 -12 0   40 o 27.186  6.5293  94.651     42.529   61.768     59.488   129.028    60.824   23.662  8.3362  31.641  7.9363  -7.979870      11.50982 
1 1 1 -12 0   41 o 25.710  7.8503  82.665     53.465   127.036    63.744   -22.6125   98.187   31.361  8.2617  21.691  9.5639  9.670282       12.63814 
1 1 1 -12 0   42 o 85.953  5.2167  910.377    108.284  839.943    135.451  1035.10    180.245  82.081  6.8640  90.650  8.2863  -8.568726      10.75999 
1 1 1 -12 0   43 o 19.136  7.2447  33.380     46.170   3.9375     52.977   126.374    94.151   17.279  7.3145  31.914  10.500  -14.63488      12.79655 
1 1 1 -12 0   44 o 27.871  7.0561  100.237    47.764   97.811     75.410   101.863    61.724   28.329  9.4007  28.251  8.3924  0.7811546E-01  12.60181 
1 1 1 -12 0   45 o 18.377  7.0057  29.948     43.363   0.0525     69.521   48.985     55.478   19.327  8.2861  21.818  8.0030  -2.490683      11.51993 
1 1 1 -12 0   46 o 83.568  4.2485  857.956    85.864   885.858    123.648  831.970    119.326  84.377  6.0802  81.764  6.0577  2.612068       8.582850 
1 1 1 -12 0   47 o 32.010  8.6880  134.369    69.206   145.503    178.080  132.389    75.110   36.739  14.150  31.823  9.2043  4.915882       16.88043 
1 1 1 -12 0   48 o 19.034  7.9547  12.234     61.395   -8.0960    168.221  15.358     65.944   28.606  12.569  19.865  8.2680  8.741213       15.04448 
1 1 1 -12 0   49 o 20.477  7.3243  46.140     46.090   3.6941     68.764   80.764     62.105   19.331  8.2632  25.610  8.5328  -6.279058      11.87807 
1 1 1 -12 0   50 o 48.338  7.7296  303.385    87.605   303.385    87.605   0.0000     0.0000   48.338  7.7296  ?       ?       0.000000       7.729632 
1 1 1 -12 0   51 o 26.341  9.1792  84.038     72.021   84.038     72.021   0.0000     0.0000   26.341  9.1792  ?       ?       0.000000       9.179209 
1 1 1 -12 0   52 o 50.973  5.1316  326.070    62.605   379.251    89.626   275.397    87.487   54.298  6.9632  45.639  8.2017  8.658890       10.75892 
1 1 1 -12 0   53 o 54.877  5.4580  379.431    71.711   325.638    98.777   439.379    104.275  49.502  8.5318  58.156  7.5689  -8.654510      11.40525 
1 1 1 -12 0   54 o 18.409  7.5486  18.867     53.868   57.537     71.567   -31.6764   81.821   23.690  9.0076  18.735  8.4603  4.955467       12.35774 
1 1 1 -12 0   55 o 18.538  7.5905  19.534     54.369   93.374     72.733   -73.9841   81.853   27.195  9.2339  16.814  7.8951  10.38043       12.14897 
1 1 1 -12 0   56 o 25.665  8.9571  80.282     68.590   76.462     77.376   94.296     148.198  25.815  9.4542  31.288  12.635  -5.473087      15.78047 
1 1 1 -12 0   57 o 36.330  10.106  182.923    92.337   0.0000     0.0000   182.923    92.337   ?       ?       36.330  10.106  0.000000       10.10641 
1 1 1 -12 0   58 o 17.060  7.8259  -42.0068   73.565   0.0000     0.0000   -42.0068   73.565   ?       ?       17.060  7.8259  0.000000       7.825939 
1 1 1 -12 1   1  o 331.510 6.9549  13354.05   559.437  13994.98   790.255  12710.16   792.076  339.129 9.6037  323.136 10.102  15.99347       13.93865 
1 1 1 -12 1   2  o 153.717 4.1609  2868.23    155.193  2968.38    219.212  2767.60    219.742  156.337 5.7788  150.951 5.9995  5.385834       8.329957 
1 1 1 -12 1   3  o 337.042 7.1123  13803.49   581.646  14026.80   822.099  13579.67   823.046  339.498 9.9798  334.025 10.155  5.473297       14.23803 
1 1 1 -12 1   4  o 319.010 9.5906  12381.52   742.358  12097.64   1070.02  12644.97   1030.79  314.827 14.007  321.979 13.194  -7.152313      19.24283 
1 1 1 -12 1   5  o 310.617 9.3275  11736.65   702.997  11790.50   1015.01  11687.01   974.593  310.882 13.456  309.575 12.975  1.307404       18.69227 
1 1 1 -12 1   6  o 307.406 9.3417  11495.32   696.788  11099.27   1006.95  11859.21   965.193  301.593 13.760  311.874 12.755  -10.28070      18.76229 
1 1 1 -12 1   7  o 313.605 9.3459  11963.83   711.164  12377.55   1028.16  11584.33   984.724  318.542 13.302  308.183 13.169  10.35910       18.71809 
1 1 1 -12 1   8  o 328.381 6.9517  13102.27   553.900  13134.17   783.262  13070.36   783.403  328.533 9.8257  327.732 9.8515  0.8016663      13.91390 
1 1 1 -12 1   9  o 140.981 4.0318  2412.59    137.918  2508.18    194.983  2316.87    195.109  143.713 5.5916  138.118 5.8219  5.595367       8.072210 
1 1 1 -12 1   10 o 332.585 6.9489  13440.80   560.766  13204.96   792.808  13676.93   793.277  329.384 9.9198  335.237 9.7523  -5.852722      13.91080 
1 1 1 -12 1   11 f 523.897 10.362  33420.16   1317.16  32774.39   1862.42  34066.39   1863.08  517.826 14.823  528.008 14.542  -10.18134      20.76504 
1 1 1 -12 1   12 o 555.599 10.798  37606.40   1455.72  36491.19   2058.39  38722.27   2059.01  546.088 15.535  562.673 15.081  -16.58472      21.65113 
1 1 1 -12 1   13 f 376.256 7.5995  17212.72   693.793  16846.01   980.961  17579.75   981.383  371.801 10.874  379.847 10.648  -8.045502      15.21893 
1 1 1 -12 1   14 f 135.990 4.0204  2245.11    132.660  2186.32    187.062  2304.60    188.162  134.152 5.7468  137.736 5.6301  -3.584488      8.045106 
1 1 1 -12 1   15 o 274.594 6.0374  9162.88    402.258  9295.16    569.147  9030.85    568.610  276.347 8.4880  272.378 8.6036  3.969452       12.08584 
1 1 1 -12 1   16 o 68.183  3.7768  566.157    62.240   515.614    87.677   617.500    88.369   64.897  5.6235  71.109  5.1567  -6.211296      7.629928 
1 1 1 -12 1   17 o 82.676  3.7304  829.929    74.835   908.520    105.865  751.434    105.799  86.324  5.0766  78.432  5.5961  7.892059       7.555673 
1 1 1 -12 1   18 o 426.498 8.6947  22177.04   899.782  22135.86   1273.24  22218.11   1271.73  425.044 12.346  425.846 12.308  -0.8018188     17.43256 
1 1 1 -12 1   19 o 107.184 3.6894  1395.19    95.950   1420.25    135.462  1369.96    135.928  108.090 5.1649  106.155 5.2772  1.935173       7.384144 
1 1 1 -12 1   20 o 254.204 5.7470  7861.10    354.477  7996.57    502.144  7726.53    500.474  256.044 8.0826  251.665 8.1959  4.379456       11.51087 
1 1 1 -12 1   21 o 123.277 5.5104  1848.82    164.827  1945.90    217.748  1718.57    252.237  126.155 7.1428  118.274 8.8535  7.880737       11.37563 
1 1 1 -12 1   22 o 103.517 5.2702  1306.87    131.936  1338.18    171.955  1262.07    205.723  104.571 6.8142  101.302 8.4465  3.269417       10.85256 
1 1 1 -12 1   23 f 121.733 5.5213  1803.22    163.084  1950.23    215.318  1605.41    249.770  126.285 7.0551  114.219 9.0875  12.06539       11.50467 
1 1 1 -12 1   24 o 126.410 3.9903  1941.63    122.391  1933.71    173.804  1949.43    172.377  126.052 5.6826  126.569 5.6129  -0.5160828     7.987280 
1 1 1 -12 1   25 o 38.192  4.9769  180.361    45.025   179.592    65.182   181.063    62.267   37.733  7.3838  37.946  7.0215  -0.2128372     10.18926 
1 1 1 -12 1   26 o 383.113 7.9587  17915.31   739.830  17990.10   1048.19  17841.06   1044.38  382.742 11.287  381.151 11.293  1.591095       15.96605 
1 1 1 -12 1   27 o 118.418 3.9615  1703.86    113.826  1787.26    162.522  1623.57    159.470  121.194 5.5267  115.501 5.6902  5.693207       7.932430 
1 1 1 -12 1   28 o 252.424 5.6901  7755.23    348.511  7989.26    495.013  7525.20    490.752  255.808 7.9751  248.234 8.1478  7.574722       11.40126 
1 1 1 -12 1   29 o 213.341 7.2867  5552.05    377.200  5885.74    569.624  5291.45    503.380  218.967 10.721  207.779 9.9846  11.18741       14.65053 
1 1 1 -12 1   30 o 185.281 6.8446  4185.86    307.710  4237.17    472.266  4148.01    405.632  185.488 10.537  184.090 9.0811  1.397629       13.90994 
1 1 1 -12 1   31 o 282.383 8.9254  9762.65    611.550  9876.39    902.565  9666.11    831.523  282.520 13.166  279.866 12.245  2.654572       17.98034 
1 1 1 -12 1   32 o 197.425 4.9768  4743.31    238.408  4858.23    339.554  4631.57    334.816  199.499 7.0146  194.778 7.0844  4.721207       9.969628 
1 1 1 -12 1   33 o 126.738 4.0263  1953.11    123.815  1838.96    176.637  2063.38    173.604  122.817 5.9273  130.140 5.4978  -7.322365      8.084469 
1 1 1 -12 1   34 f 177.039 5.1990  3818.92    223.331  3823.24    368.766  3816.42    280.651  176.479 8.6118  176.759 6.5437  -0.2802734     10.81587 
1 1 1 -12 1   35 o 49.248  4.4407  297.711    52.493   346.412    75.887   253.028    72.689   52.921  6.0167  44.965  6.8813  7.955872       9.140729 
1 1 1 -12 1   36 o 210.481 5.1869  5406.80    264.900  5522.67    376.996  5293.80    372.300  212.100 7.3254  207.637 7.3896  4.462875       10.40520 
1 1 1 -12 1   37 o 119.106 4.0570  1728.45    117.246  1701.58    167.847  1754.05    163.847  117.902 5.8671  119.747 5.6391  -1.844650      8.137735 
1 1 1 -12 1   38 o 37.403  5.2030  174.317    45.941   167.070    64.396   181.828    65.560   36.144  7.5847  37.772  7.4179  -1.628586      10.60907 
1 1 1 -12 1   39 o 70.369  4.0265  606.068    68.466   623.317    98.147   589.718    95.555   71.051  5.7421  69.095  5.7519  1.955627       8.127463 
1 1 1 -12 1   40 f 33.049  5.4624  137.474    42.274   121.936    59.861   152.932    59.707   30.756  7.9599  34.515  7.3544  -3.759329      10.83732 
1 1 1 -12 1   41 o 57.266  5.6671  407.091    77.710   349.994    94.485   526.463    136.617  52.555  7.6327  64.207  9.0178  -11.65241      11.81432 
1 1 1 -12 1   42 o 97.326  5.4264  1168.28    127.635  1208.55    159.797  1097.33    212.128  98.569  6.7214  92.736  9.5645  5.833046       11.69007 
1 1 1 -12 1   43 o 52.092  4.3792  334.565    54.839   360.797    77.888   308.779    77.223   53.728  6.0817  49.522  6.5903  4.205666       8.967644 
1 1 1 -12 1   44 o 47.609  5.1437  281.797    58.475   298.146    87.881   268.807    78.333   48.287  7.7637  45.941  7.2691  2.346233       10.63555 
1 1 1 -12 1   45 o 71.487  4.5222  629.266    78.036   705.116    114.772  564.054    106.419  75.170  6.3520  67.091  6.6236  8.078491       9.177196 
1 1 1 -12 1   46 o 49.057  5.2314  299.812    61.310   319.727    92.302   284.088    82.017   49.896  7.8859  47.124  7.4181  2.772076       10.82667 
1 1 1 -12 1   47 o 31.194  8.1310  127.513    62.171   -394.5782  174.085  203.835    66.560   19.282  9.5828  39.791  7.1571  -20.50922      11.96053 
1 1 1 -12 1   48 o 46.387  7.8688  278.952    85.401   306.464    195.969  272.503    94.885   46.394  15.143  45.451  8.9222  0.9425240      17.57595 
1 1 1 -12 1   49 o 40.267  8.7310  215.353    82.848   215.353    82.848   0.0000     0.0000   40.267  8.7310  ?       ?       0.000000       8.731049 
1 1 1 -12 1   50 o 49.934  7.6794  323.717    90.062   323.717    90.062   0.0000     0.0000   49.934  7.6794  ?       ?       0.000000       7.679354 
1 1 1 -12 1   51 o 29.830  7.1695  117.278    51.249   54.079     78.029   165.225    67.964   24.010  9.3333  35.212  8.1206  -11.20240      12.37149 
1 1 1 -12 1   52 o 40.662  5.9157  211.235    56.654   241.971    81.761   182.846    78.577   42.690  8.1912  36.753  8.9048  5.936615       12.09921 
1 1 1 -12 1   53 o 35.696  7.0635  167.195    59.012   169.017    76.946   164.593    91.960   35.282  8.9687  34.606  10.235  0.6757851      13.60876 
1 1 1 -12 1   54 o 16.488  7.1288  -1.8125    52.297   19.539     68.601   -31.4396   80.810   20.273  8.4350  18.621  8.4083  1.652561       11.91007 
1 1 1 -12 1   55 o 16.119  7.3246  -31.1468   62.477   -21.3309   69.742   -71.0338   140.587  17.722  7.9222  23.334  10.746  -5.611746      13.35081 
1 1 1 -12 1   56 o 20.553  7.0198  50.507     42.037   66.379     43.585   -161.1144  159.150  22.795  7.1094  22.248  10.610  0.5472183      12.77204 
1 1 1 -12 1   57 o 29.674  10.147  114.569    87.836   0.0000     0.0000   114.569    87.836   ?       ?       29.674  10.147  0.000000       10.14714 
1 1 1 -12 1   58 o 17.646  7.0010  24.334     44.680   102.179    53.866   -147.3280  79.991   27.621  7.7316  14.005  6.8719  13.61625       10.34413 
1 1 1 -12 2   1  o 690.885 13.566  58255.98   2274.22  57958.45   3214.44  58554.17   3218.03  687.033 19.282  690.588 19.205  -3.555054      27.21460 
1 1 1 -12 2   2  o 438.922 8.8939  23431.56   947.199  23924.16   1338.50  22937.41   1340.59  442.977 12.453  433.696 12.739  9.281036       17.81477 
1 1 1 -12 2   3  o 196.118 6.6936  4672.83    318.526  4715.71    469.980  4636.39    433.193  196.856 9.8393  195.234 9.1446  1.622345       13.43263 
1 1 1 -12 2   4  o 199.084 6.7519  4815.26    326.158  4884.62    480.782  4756.12    443.932  200.350 9.8900  197.735 9.2527  2.615509       13.54342 
1 1 1 -12 2   5  o 17.670  6.8238  24.165     41.499   175.280    74.893   -42.7910   49.852   37.230  8.4800  13.691  6.3385  23.53904       10.58713 
1 1 1 -12 2   6  o 198.631 6.7721  4793.42    326.388  4760.88    481.610  4821.06    443.863  197.529 10.082  199.083 9.1886  -1.554306      13.64104 
1 1 1 -12 2   7  o 196.941 4.7745  4708.86    228.154  4787.13    322.444  4630.37    322.874  198.502 6.6946  195.220 6.8162  3.282242       9.553980 
1 1 1 -12 2   8  o 442.190 8.8931  23781.87   954.172  24095.53   1349.47  23468.26   1349.34  444.549 12.511  438.695 12.676  5.853607       17.81026 
1 1 1 -12 2   9  o 685.951 13.449  57421.79   2238.50  56630.88   3165.81  58212.61   3165.61  679.140 19.212  688.672 18.944  -9.532227      26.98099 
1 1 1 -12 2   10 o 506.491 10.054  31228.83   1235.53  30864.43   1747.37  31593.18   1747.24  502.649 14.327  508.589 14.159  -5.940308      20.14278 
1 1 1 -12 2   11 o 84.976  3.6811  876.472    75.899   886.025    107.767  867.070    106.913  85.257  5.2348  84.336  5.2507  0.9212875      7.414343 
1 1 1 -12 2   12 o 114.657 3.7537  1595.74    104.428  1644.09    147.938  1547.73    147.432  116.352 5.2401  112.888 5.3825  3.464539       7.511965 
1 1 1 -12 2   13 f 338.341 6.9160  13914.52   567.771  13676.96   802.797  14152.26   803.102  335.111 9.8731  340.906 9.7090  -5.794769      13.84707 
1 1 1 -12 2   14 o 596.975 11.891  43502.19   1722.43  42581.80   2435.61  44422.99   2436.15  588.727 17.050  601.476 16.692  -12.74939      23.86103 
1 1 1 -12 2   15 o 172.728 4.2646  3622.79    178.733  3540.15    252.473  3705.83    253.060  170.668 6.0968  174.622 5.9726  -3.954422      8.534746 
1 1 1 -12 2   16 o 114.969 3.8693  1604.91    107.937  1671.17    152.821  1538.94    152.473  117.273 5.3706  112.531 5.5841  4.742142       7.747589 
1 1 1 -12 2   17 f 151.653 4.2512  2793.34    156.431  2725.71    221.031  2861.21    221.422  149.718 6.0844  153.402 5.9487  -3.683990      8.509232 
1 1 1 -12 2   18 o 207.281 4.9646  5221.66    249.696  5231.25    353.196  5212.08    353.050  207.291 7.0222  206.910 7.0322  0.3812103      9.937929 
1 1 1 -12 2   19 o 303.631 6.6344  11223.88   488.780  11042.90   691.643  11404.44   690.838  300.628 9.4817  305.547 9.3183  -4.918610      13.29411 
1 1 1 -12 2   20 o 332.362 10.085  13521.20   813.331  14186.41   1127.51  12799.55   1174.37  339.173 13.700  321.631 15.048  17.54245       20.35065 
1 1 1 -12 2   21 o 141.835 5.7216  2448.16    196.909  2396.65    260.901  2516.34    300.150  139.949 7.7130  143.252 8.6761  -3.302979      11.60883 
1 1 1 -12 2   22 o 70.621  5.3813  610.278    91.517   656.754    117.284  537.928    146.334  73.114  6.6851  65.644  9.4604  7.470024       11.58398 
1 1 1 -12 2   23 o 175.275 5.1771  3736.87    220.176  4232.55    367.472  3459.26    275.005  186.182 8.1343  168.488 6.7268  17.69417       10.55543 
1 1 1 -12 2   24 o 113.130 3.8433  1554.91    105.497  1629.01    150.076  1482.53    148.331  115.717 5.3450  110.240 5.5633  5.476784       7.714896 
1 1 1 -12 2   25 o 48.616  4.3288  289.529    50.530   285.031    72.355   293.812    70.597   47.961  6.3755  48.748  6.1022  -0.7872887     8.825194 
1 1 1 -12 2   26 o 207.343 4.9761  5228.23    250.345  5319.76    356.127  5138.81    351.993  208.902 7.0258  205.313 7.0657  3.589218       9.964261 
1 1 1 -12 2   27 o 285.875 6.2323  9952.93    432.302  10174.83   613.671  9734.33    609.090  288.506 8.7663  282.160 8.8966  6.346100       12.48988 
1 1 1 -12 2   28 o 99.564  5.7524  1210.69    138.377  1115.81    237.095  1259.70    170.412  94.816  10.481  101.412 6.9677  -6.596184      12.58563 
1 1 1 -12 2   29 o 76.139  5.8714  710.026    107.633  930.724    197.281  616.490    128.432  86.664  9.5397  70.667  7.6102  15.99640       12.20330 
1 1 1 -12 2   30 o 67.796  6.2208  564.681    101.192  453.526    188.167  609.907    120.025  59.414  13.375  70.349  7.1300  -10.93526      15.15673 
1 1 1 -12 2   31 o 44.669  4.8491  245.599    51.713   252.074    75.350   239.833    71.102   44.898  7.1569  43.811  6.9183  1.086979       9.954042 
1 1 1 -12 2   32 o 187.514 4.8178  4278.91    219.201  4449.07    312.933  4114.99    307.142  190.923 6.7551  183.592 6.8948  7.331161       9.652425 
1 1 1 -12 2   33 o 77.416  4.2416  731.236    79.373   731.853    126.239  730.833    102.073  77.106  6.8177  77.249  5.4813  -0.1433411     8.747923 
1 1 1 -12 2   34 o 195.775 4.9136  4669.61    233.411  4896.98    332.669  4449.14    327.576  200.088 6.8522  190.667 7.0806  9.421143       9.853295 
1 1 1 -12 2   35 o 61.874  4.1341  468.165    61.708   458.421    87.845   477.657    86.704   60.953  6.0182  62.266  5.8058  -1.312725      8.362151 
1 1 1 -12 2   36 o 75.559  3.9323  697.100    71.845   679.883    104.037  712.796    99.336   74.334  5.8144  76.193  5.4083  -1.858757      7.940832 
1 1 1 -12 2   37 o 62.617  4.1360  480.039    62.486   562.349    89.036   400.154    87.715   67.580  5.4769  56.738  6.4881  10.84191       8.490694 
1 1 1 -12 2   38 o 64.126  4.1373  503.730    64.031   557.950    91.135   450.873    89.982   67.239  5.6381  60.270  6.2437  6.969273       8.412580 
1 1 1 -12 2   39 o 11.136  5.1660  -28.7980   33.360   -30.6953   47.119   -26.8911   47.237   13.811  6.3084  14.078  6.3860  -0.2667551     8.976481 
1 1 1 -12 2   40 o 21.477  7.7440  48.620     51.625   44.217     60.999   59.734     96.915   21.968  8.3247  26.677  10.393  -4.709572      13.31594 
1 1 1 -12 2   41 o 32.584  7.3310  136.916    56.559   123.419    66.109   173.771    109.241  30.908  8.5342  36.640  11.227  -5.731865      14.10251 
1 1 1 -12 2   42 o 73.399  5.5047  666.620    97.324   724.391    119.671  553.778    167.251  76.236  6.5325  64.963  11.003  11.27277       12.79640 
1 1 1 -12 2   43 o 65.181  4.4135  522.760    69.391   573.210    104.015  482.301    93.149   67.765  6.4018  62.150  6.2623  5.614655       8.955418 
1 1 1 -12 2   44 o 13.683  6.0616  -12.5478   39.896   22.777     67.694   -31.3480   49.385   20.763  8.4819  14.136  6.4575  6.626749       10.66029 
1 1 1 -12 2   45 o 47.053  5.1856  275.805    58.220   299.224    87.719   257.366    77.835   48.310  7.7449  44.830  7.4147  3.479866       10.72202 
1 1 1 -12 2   46 o 41.286  8.5665  223.234    83.004   990.047    191.415  45.651     92.115   87.723  9.1265  24.962  10.003  62.76047       13.54088 
1 1 1 -12 2   47 o 22.468  8.9635  37.401     73.614   66.957     170.991  30.677     81.559   32.081  13.330  22.786  9.3095  9.295448       16.25901 
1 1 1 -12 2   48 o 58.357  4.8142  422.990    67.560   398.401    98.150   445.131    93.137   55.738  7.4433  59.295  6.5847  -3.556877      9.937891 
1 1 1 -12 2   49 o 46.021  8.5692  279.556    92.168   279.556    92.168   0.0000     0.0000   46.021  8.5692  ?       ?       0.000000       8.569206 
1 1 1 -12 2   50 o 69.283  4.6218  595.862    77.251   638.373    110.010  554.505    108.506  70.978  6.4583  65.923  6.8851  5.055344       9.440037 
1 1 1 -12 2   51 o 12.119  5.6333  -33.5602   39.982   38.253     64.557   -78.2470   50.925   21.381  8.4366  11.941  5.7726  9.439868       10.22247 
1 1 1 -12 2   52 o 45.048  6.1657  259.606    65.626   299.688    88.591   210.866    97.692   47.716  7.9301  39.007  10.205  8.709484       12.92370 
1 1 1 -12 2   53 o 22.646  7.9866  60.185     54.618   53.291     70.234   70.734     86.877   23.197  8.8985  25.947  9.9103  -2.749994      13.31904 
1 1 1 -12 2   54 o 28.528  8.0839  108.207    58.512   145.637    77.901   59.754     88.632   32.755  9.3435  25.231  9.9078  7.523869       13.61859 
1 1 1 -12 2   55 o 43.680  6.4725  245.610    66.524   249.266    71.469   221.906    181.995  43.824  6.9533  39.758  14.509  4.066479       16.08875 
1 1 1 -12 2   56 o 15.564  7.3898  -82.9547   75.496   0.0000     0.0000   -82.9547   75.496   ?       ?       15.564  7.3898  0.000000       7.389817 
1 1 1 -12 2   57 o 28.280  6.3881  105.175    42.799   136.389    49.420   11.533     85.598   32.240  6.5411  21.496  9.2048  10.74379       11.29219 
1 1 1 -12 3   1  o 191.288 4.5456  4442.25    210.983  4496.98    296.996  4386.49    299.772  192.400 6.3618  190.016 6.5018  2.383850       9.096519 
1 1 1 -12 3   2  o 563.110 15.744  38776.02   2151.12  39747.00   3061.85  37829.63   3022.82  567.897 22.220  553.924 22.490  13.97241       31.61587 
1 1 1 -12 3   3  o 289.721 8.8098  10208.52   619.317  10361.35   896.368  10068.92   856.672  291.500 12.673  287.401 12.285  4.098999       17.64996 
1 1 1 -12 3   4  o 507.399 14.284  31435.14   1758.59  32108.94   2508.39  30783.81   2466.20  511.171 20.224  500.486 20.308  10.68573       28.66062 
1 1 1 -12 3   5  o 497.373 13.970  30196.80   1685.88  31260.53   2405.26  29169.53   2363.68  504.552 19.647  487.282 19.991  17.27029       28.02954 
1 1 1 -12 3   6  o 290.086 6.2317  10221.68   438.628  10386.29   619.617  10056.33   621.011  292.239 8.7382  287.546 8.9008  4.692505       12.47317 
1 1 1 -12 3   7  o 558.622 11.058  38007.99   1498.80  38108.52   2119.02  37907.34   2120.23  558.267 15.643  556.777 15.694  1.489624       22.15895 
1 1 1 -12 3   8  o 182.875 4.4328  4059.97    196.697  4267.64    278.276  3852.62    278.067  187.439 6.1186  178.081 6.4353  9.358795       8.879755 
1 1 1 -12 3   9  o 105.023 3.6987  1338.75    94.252   1308.11    133.254  1369.43    133.331  103.652 5.3162  106.196 5.1744  -2.543533      7.418649 
1 1 1 -12 3   10 o 398.689 8.0986  19328.58   783.448  19481.88   1107.70  19175.14   1108.23  399.813 11.418  396.638 11.515  3.175293       16.21654 
1 1 1 -12 3   11 o 81.072  3.7643  797.813    74.050   886.242    102.543  701.449    107.046  85.285  4.9769  75.763  5.8688  9.521729       7.694955 
1 1 1 -12 3   12 o 87.586  3.6741  931.177    78.081   969.111    110.517  893.371    110.329  89.183  5.1288  85.599  5.3386  3.583977       7.403105 
1 1 1 -12 3   13 o 319.037 6.8000  12372.93   526.396  12220.71   744.515  12525.09   744.357  316.748 9.6872  320.684 9.5662  -3.936249      13.61445 
1 1 1 -12 3   14 o 470.464 11.200  27011.57   1278.50  26545.50   1571.25  27924.74   2199.34  465.645 13.907  475.705 19.054  -10.06006      23.58940 
1 1 1 -12 3   15 o 118.451 3.8841  1703.56    111.633  1823.66    158.204  1584.46    157.544  122.512 5.3220  114.183 5.6864  8.328857       7.788395 
1 1 1 -12 3   16 o 141.644 4.0690  2436.46    139.846  2438.61    197.550  2434.30    197.994  141.636 5.7483  141.510 5.7663  0.1262207      8.142088 
1 1 1 -12 3   17 o 92.183  3.7239  1031.93    83.295   945.544    117.104  1120.39    118.503  88.020  5.5109  95.878  5.1123  -7.857719      7.517033 
1 1 1 -12 3   18 o 293.054 6.4075  10451.83   455.618  10445.78   644.239  10457.89   644.443  292.508 9.0771  292.678 9.0747  -0.1699829     12.83522 
1 1 1 -12 3   19 o 222.163 7.5339  6016.88    406.121  6630.29    552.379  5295.20    599.153  232.831 9.7776  207.326 11.961  25.50441       15.44886 
1 1 1 -12 3   20 o 136.993 5.6809  2283.64    188.835  2263.81    248.926  2310.52    289.821  136.032 7.5716  137.244 8.7487  -1.212234      11.57017 
1 1 1 -12 3   21 o 156.335 5.9291  2975.30    224.911  2763.21    299.002  3251.69    341.329  150.200 8.2357  162.893 8.6671  -12.69299      11.95593 
1 1 1 -12 3   22 o 108.483 5.2069  1431.58    137.059  1061.23    176.233  1998.43    218.031  92.914  7.8917  127.840 7.0562  -34.92547      10.58630 
1 1 1 -12 3   23 o 133.941 4.1020  2180.05    133.314  2228.92    188.501  2131.14    188.567  135.328 5.7407  132.317 5.8734  3.011292       8.212901 
1 1 1 -12 3   24 o 124.465 3.9574  1882.29    119.514  1942.12    169.424  1823.04    168.616  126.337 5.5269  122.393 5.6778  3.944542       7.923603 
1 1 1 -12 3   25 o 213.043 5.1191  5520.39    264.620  5433.29    375.072  5606.71    373.392  211.077 7.3234  214.441 7.1762  -3.364105      10.25325 
1 1 1 -12 3   26 o 174.318 4.5759  3694.13    193.545  3764.65    275.768  3625.67    271.704  175.795 6.4651  172.517 6.4909  3.278137       9.161250 
1 1 1 -12 3   27 f 194.343 4.8439  4593.01    228.417  4743.01    325.162  4446.88    320.939  197.267 6.7933  190.992 6.9254  6.274750       9.701035 
1 1 1 -12 3   28 o 93.050  5.7773  1058.09    129.794  718.370    224.909  1227.72    158.929  75.325  12.761  100.158 6.5761  -24.83353      14.35602 
1 1 1 -12 3   29 o 50.483  6.8760  316.438    82.036   421.010    166.788  283.066    94.221   57.369  12.348  47.413  8.5024  9.955605       14.99184 
1 1 1 -12 3   30 o 137.909 5.9999  2317.07    200.772  2747.04    325.953  2054.22    254.857  149.501 9.0280  129.371 8.1607  20.12999       12.16969 
1 1 1 -12 3   31 o 77.207  4.0094  726.608    74.852   787.250    107.548  669.638    104.242  80.207  5.5606  73.903  5.8613  6.303101       8.079265 
1 1 1 -12 3   32 o 82.697  4.2864  834.073    85.714   870.609    136.325  810.186    110.228  84.177  6.7308  81.346  5.6191  2.831520       8.767948 
1 1 1 -12 3   33 o 69.542  4.3460  590.807    72.966   610.382    114.938  577.593    94.435   70.341  6.8200  68.580  5.7274  1.760834       8.905924 
1 1 1 -12 3   34 o 49.663  4.5993  302.983    54.794   292.255    79.738   312.580    75.422   48.368  6.9977  50.177  6.3361  -1.809444      9.440004 
1 1 1 -12 3   35 f 42.712  4.8980  225.400    49.844   261.021    73.583   195.196    67.757   45.652  6.8545  39.249  7.3859  6.403702       10.07651 
1 1 1 -12 3   36 o 67.573  4.0005  558.250    65.301   490.529    93.472   622.812    91.266   62.971  6.1978  71.187  5.3223  -8.216011      8.169406 
1 1 1 -12 3   37 o 123.226 4.1338  1851.93    123.601  2032.92    176.979  1679.59    172.695  128.812 5.6624  116.836 6.1129  11.97638       8.332523 
1 1 1 -12 3   38 o 32.005  5.7889  129.489    43.301   171.746    62.350   90.120     60.181   36.672  7.2639  26.940  8.3461  9.732254       11.06447 
1 1 1 -12 3   39 o 19.727  6.7914  43.928     39.367   15.399     58.027   68.255     53.584   19.001  7.8180  23.946  7.9233  -4.945295      11.13101 
1 1 1 -12 3   40 o 73.263  5.3160  662.507    93.857   617.779    116.097  746.890    159.463  70.321  6.8927  76.763  8.7159  -6.441536      11.11205 
1 1 1 -12 3   41 o 105.287 5.5350  1367.75    140.907  1410.01    177.102  1294.85    232.603  106.421 6.8956  100.748 9.6325  5.672783       11.84630 
1 1 1 -12 3   42 o 78.090  4.0946  747.918    77.313   711.978    110.178  782.780    108.515  75.700  6.0490  79.509  5.6618  -3.809593      8.285289 
1 1 1 -12 3   43 o 37.335  6.7300  177.986    58.724   219.271    81.754   133.978    84.406   41.063  8.4859  32.274  9.8653  8.789169       13.01286 
1 1 1 -12 3   44 f 81.718  4.5215  821.649    89.305   958.701    123.095  669.352    129.761  87.906  5.8038  72.835  7.4472  15.07053       9.441635 
1 1 1 -12 3   45 o 49.335  5.6489  304.543    66.403   249.641    93.769   359.773    94.048   43.558  9.1625  53.108  7.5077  -9.549736      11.84550 
1 1 1 -12 3   46 o 108.487 6.6545  1473.94    174.324  1277.94    305.008  1569.02    212.441  96.587  13.373  111.231 7.9231  -14.64358      15.54417 
1 1 1 -12 3   47 o 44.814  7.9815  261.326    83.606   422.263    195.978  225.519    92.440   54.005  14.604  41.071  9.4696  12.93393       17.40586 
1 1 1 -12 3   48 o 86.309  6.6086  939.610    137.345  939.610    137.345  0.0000     0.0000   86.309  6.6086  ?       ?       0.000000       6.608572 
1 1 1 -12 3   49 o 87.144  6.4634  958.929    135.693  958.929    135.693  0.0000     0.0000   87.144  6.4634  ?       ?       0.000000       6.463424 
1 1 1 -12 3   50 o 53.022  5.2671  353.001    66.865   337.591    97.571   366.646    91.815   50.658  8.2197  53.254  7.2975  -2.595898      10.99162 
1 1 1 -12 3   51 o 41.034  5.9511  215.243    57.524   286.321    84.320   153.364    78.675   46.729  7.7053  33.587  9.3236  13.14152       12.09551 
1 1 1 -12 3   52 o 32.068  7.6153  136.868    58.373   125.697    76.515   152.421    90.286   30.621  9.3983  33.410  10.201  -2.789112      13.87074 
1 1 1 -12 3   53 o 53.882  5.5466  366.526    71.480   281.235    97.183   467.053    105.506  45.640  9.0950  60.045  7.3981  -14.40501      11.72396 
1 1 1 -12 3   54 o 21.641  7.6771  53.982     50.537   39.630     52.904   203.722    170.883  20.281  7.7366  38.493  14.057  -18.21182      16.04529 
1 1 1 -12 3   55 o 50.890  14.529  396.141    188.285  0.0000     0.0000   396.141    188.285  ?       ?       50.890  14.529  0.000000       14.52935 
1 1 1 -12 3   56 o 15.347  7.3101  -86.4037   75.053   0.0000     0.0000   -86.4037   75.053   ?       ?       15.347  7.3101  0.000000       7.310140 
1 1 1 -12 3   57 o 31.436  6.9251  131.150    51.395   52.665     60.507   334.477    97.389   22.162  8.3147  49.963  8.3265  -27.80111      11.76709 
1 1 1 -12 4   1  o 386.667 11.170  18213.86   1047.95  18681.61   1499.39  17767.16   1465.25  390.792 15.813  381.101 15.846  9.690979       22.38570 
1 1 1 -12 4   2  o 358.468 10.499  15645.65   913.169  15830.48   1309.94  15470.91   1273.66  359.908 15.000  355.840 14.751  4.068207       21.03828 
1 1 1 -12 4   3  o 296.354 8.9797  10682.86   645.713  10787.87   932.994  10586.33   894.569  297.393 12.930  294.652 12.512  2.740845       17.99262 
1 1 1 -12 4   4  o 186.521 6.4245  4226.38    290.760  4641.43    430.773  3879.04    394.068  195.336 9.0887  178.339 9.1374  16.99641       12.88785 
1 1 1 -12 4   5  o 308.496 6.5034  11561.86   486.805  12099.10   687.892  11022.89   689.002  315.386 8.9890  300.993 9.4341  14.39313       13.03093 
1 1 1 -12 4   6  o 360.572 7.4009  15801.34   647.503  15942.06   914.854  15660.09   916.562  361.856 10.420  358.628 10.533  3.228241       14.81598 
1 1 1 -12 4   7  o 402.383 8.2158  19687.30   802.148  20040.58   1133.59  19333.00   1135.23  405.539 11.520  398.280 11.747  7.258453       16.45324 
1 1 1 -12 4   8  o 93.899  3.6780  1070.18    83.798   1120.51    117.904  1018.81    119.120  95.927  5.0837  91.434  5.3931  4.492676       7.411426 
1 1 1 -12 4   9  o 206.306 4.8914  5168.04    244.855  5016.20    344.295  5323.42    348.293  203.164 6.9843  209.299 6.8582  -6.135498      9.788531 
1 1 1 -12 4   10 o 121.725 3.9060  1798.62    115.366  1884.06    160.352  1706.95    166.103  124.553 5.3059  118.543 5.7748  6.009850       7.842247 
1 1 1 -12 4   11 o 334.935 6.9898  13635.92   568.055  13272.21   802.852  14000.54   803.852  330.106 10.023  339.076 9.7705  -8.969574      13.99755 
1 1 1 -12 4   12 o 440.810 10.386  23681.79   1110.90  23881.94   1365.87  23290.66   1909.40  442.164 12.731  435.150 18.084  7.013763       22.11577 
1 1 1 -12 4   13 o 116.725 3.8496  1654.11    109.029  1545.05    151.982  1769.74    156.497  112.770 5.5544  120.698 5.3437  -7.927887      7.707553 
1 1 1 -12 4   14 o 383.807 7.9232  17930.05   737.863  18173.13   1043.88  17687.31   1043.12  385.783 11.152  380.559 11.297  5.223511       15.87367 
1 1 1 -12 4   15 o 177.495 4.5806  3826.83    197.275  3925.00    279.103  3728.82    278.877  179.653 6.4028  175.095 6.5641  4.557938       9.169652 
1 1 1 -12 4   16 o 156.208 4.2752  2963.91    162.041  3019.41    229.244  2908.49    229.076  157.572 5.9959  154.644 6.1050  2.928116       8.556953 
1 1 1 -12 4   17 o 225.461 5.3298  6180.08    291.570  6230.56    412.345  6129.60    412.339  226.144 7.5147  224.297 7.5765  1.847351       10.67116 
1 1 1 -12 4   18 o 199.386 5.7258  4836.21    277.010  4840.50    333.900  4826.72    496.143  199.352 6.9029  198.318 10.346  1.033447       12.43775 
1 1 1 -12 4   19 o 242.927 8.0036  7201.34    471.766  7820.76    643.805  6483.02    693.297  252.630 10.503  229.208 12.513  23.42235       16.33682 
1 1 1 -12 4   20 o 205.606 7.0540  5153.38    351.913  5299.36    475.932  4977.30    522.711  208.106 9.4253  201.149 10.749  6.956833       14.29582 
1 1 1 -12 4   21 o 294.192 9.0269  10584.97   644.370  10513.48   886.710  10664.98   938.007  292.121 12.510  293.983 13.150  -1.861725      18.14981 
1 1 1 -12 4   22 o 21.136  6.5840  53.982     37.394   57.155     53.192   50.882     52.579   22.808  7.8919  22.028  7.8289  0.7797337      11.11640 
1 1 1 -12 4   23 o 143.969 4.1626  2518.85    145.411  2558.05    205.952  2479.88    205.334  144.966 5.8551  142.728 5.9291  2.238251       8.332836 
1 1 1 -12 4   24 o 229.517 5.4281  6409.18    302.292  6571.62    428.320  6247.97    426.695  232.089 7.6059  226.273 7.7718  5.815094       10.87430 
1 1 1 -12 4   25 o 165.878 4.3461  3344.40    174.925  3294.27    248.529  3393.61    246.249  164.471 6.2277  166.947 6.0790  -2.476196      8.702750 
1 1 1 -12 4   26 o 105.448 3.9235  1351.07    100.387  1419.81    143.316  1284.86    140.658  107.879 5.4933  102.590 5.6727  5.288391       7.896546 
1 1 1 -12 4   27 o 122.590 5.9097  1829.81    175.785  1628.98    285.835  1951.96    222.925  114.787 10.375  126.288 7.3062  -11.50154      12.68924 
1 1 1 -12 4   28 o 249.071 8.1180  7579.64    490.611  7688.75    730.031  7489.77    662.528  249.804 12.044  246.847 11.061  2.956573       16.35294 
1 1 1 -12 4   29 o 13.590  6.3153  -45.2449   50.188   -177.8643  122.896  -18.7012   54.981   19.083  9.1605  16.081  7.1202  3.001543       11.60221 
1 1 1 -12 4   30 o 197.004 4.8683  4722.26    232.712  4712.41    331.644  4731.82    326.622  196.500 6.9558  196.924 6.8357  -0.4243469     9.752420 
1 1 1 -12 4   31 o 234.064 5.4240  6673.34    308.049  6709.29    437.813  6638.10    433.512  234.218 7.7038  232.981 7.6686  1.237289       10.86997 
1 1 1 -12 4   32 o 223.516 6.0548  6095.54    328.377  6065.49    549.600  6112.22    409.508  221.813 10.212  223.472 7.5522  -1.658737      12.70095 
1 1 1 -12 4   33 o 162.717 4.4741  3223.86    176.646  3152.35    251.812  3293.14    247.865  160.587 6.4625  164.179 6.2221  -3.592026      8.970953 
1 1 1 -12 4   34 o 139.040 4.2798  2354.55    144.388  2360.21    206.176  2349.09    202.270  138.925 6.1164  138.615 6.0139  0.3094025      8.577696 
1 1 1 -12 4   35 o 74.582  4.0479  679.583    72.978   706.055    103.450  653.358    102.966  75.776  5.6675  72.840  5.8759  2.935844       8.163738 
1 1 1 -12 4   36 o 34.066  5.9512  146.271    47.401   148.282    62.677   143.583    72.449   34.004  7.7669  33.425  8.8088  0.5781593      11.74395 
1 1 1 -12 4   37 f 54.707  4.5644  368.121    60.035   407.810    81.572   321.216    88.677   57.341  5.9495  50.472  7.4663  6.868740       9.546803 
1 1 1 -12 4   38 o 72.506  4.1958  644.156    73.502   608.012    101.538  683.947    106.536  70.063  6.0316  74.356  5.9549  -4.293549      8.475910 
1 1 1 -12 4   39 o 54.118  5.8357  364.386    75.418   363.834    90.710   365.624    135.728  53.752  7.1310  52.705  10.970  1.047245       13.08423 
1 1 1 -12 4   40 o 44.772  6.2222  251.949    65.767   259.184    79.544   236.317    116.921  45.078  7.5387  42.183  11.226  2.894375       13.52223 
1 1 1 -12 4   41 o 27.078  7.7608  93.817     53.618   170.910    62.088   -132.3201  106.338  36.463  7.2727  18.163  8.6653  18.29977       11.31280 
1 1 1 -12 4   42 o 96.700  4.3612  1145.39    102.328  1120.60    143.483  1171.04    145.977  94.975  6.2614  97.109  6.2281  -2.134201      8.831418 
1 1 1 -12 4   43 o 80.856  4.5932  804.611    89.743   721.555    123.880  896.339    130.186  75.906  6.7980  84.814  6.3726  -8.907890      9.317934 
1 1 1 -12 4   44 o 41.270  6.4007  216.089    62.019   217.230    84.260   214.740    91.618   40.705  8.7885  40.279  9.5240  0.4256821      12.95938 
1 1 1 -12 4   45 o 102.319 6.6697  1310.52    164.682  1057.60    291.460  1429.13    199.596  87.265  14.257  106.279 7.7943  -19.01456      16.24885 
1 1 1 -12 4   46 o 48.748  7.6015  305.979    86.980   651.072    212.901  236.839    95.296   68.358  13.315  42.124  9.5445  26.23428       16.38211 
1 1 1 -12 4   47 o 71.793  6.7055  651.658    115.458  651.658    115.458  0.0000     0.0000   71.793  6.7055  ?       ?       0.000000       6.705516 
1 1 1 -12 4   48 f 46.608  8.1665  284.873    88.990   284.873    88.990   0.0000     0.0000   46.608  8.1665  ?       ?       0.000000       8.166540 
1 1 1 -12 4   49 o 62.757  4.8636  490.741    73.482   491.335    105.072  490.172    102.804  61.884  7.1277  61.883  6.9678  0.9918213E-03  9.967693 
1 1 1 -12 4   50 o 38.930  6.3208  195.237    57.658   146.863    86.151   234.484    77.599   32.910  9.9465  42.141  7.8787  -9.231361      12.68889 
1 1 1 -12 4   51 o 32.765  7.8079  143.256    61.192   193.941    83.516   84.505     89.916   37.717  9.2064  27.260  10.154  10.45746       13.70610 
1 1 1 -12 4   52 o 36.926  7.2449  179.370    62.593   115.192    81.245   273.096    98.182   29.633  9.7540  44.833  9.3291  -15.20090      13.49710 
1 1 1 -12 4   53 o 18.403  7.4774  21.162     52.255   57.266     67.276   -33.7455   82.965   23.316  8.7636  18.772  8.4942  4.544493       12.20457 
1 1 1 -12 4   54 o 22.334  10.483  -110.2123  144.062  0.0000     0.0000   -110.2123  144.062  ?       ?       22.334  10.483  0.000000       10.48269 
1 1 1 -12 4   55 o 79.816  7.1709  820.355    137.394  0.0000     0.0000   820.355    137.394  ?       ?       79.816  7.1709  0.000000       7.170857 
1 1 1 -12 4   56 o 52.960  5.3172  354.479    67.404   244.791    83.168   564.441    115.065  42.652  8.3350  65.878  7.3224  -23.22549      11.09460 
1 1 1 -12 5   1  f 319.848 9.5117  12449.56   738.187  12764.58   1061.01  12154.01   1027.69  323.364 13.523  315.550 13.422  7.814117       19.05324 
1 1 1 -12 5   2  f 595.669 16.738  43450.95   2419.14  43309.89   3439.46  43589.06   3403.18  591.827 23.951  593.887 23.617  -2.059753      33.63653 
1 1 1 -12 5   3  o 673.222 18.717  55626.34   3057.47  56831.58   4343.56  54442.67   4304.53  676.599 26.458  662.031 26.797  14.56732       37.65732 
1 1 1 -12 5   4  o 681.357 13.450  56661.73   2223.68  56690.13   3144.01  56633.30   3145.50  679.479 19.070  679.130 19.089  0.3486328      26.98196 
1 1 1 -12 5   5  o 587.703 11.624  42093.17   1657.59  41962.68   2343.59  42223.79   2344.77  585.454 16.498  587.286 16.455  -1.832581      23.30084 
1 1 1 -12 5   6  o 317.050 6.7437  12214.08   518.788  12331.96   733.193  12095.89   734.162  318.335 9.4923  315.263 9.5974  3.072388       13.49867 
1 1 1 -12 5   7  o 246.908 5.5295  7404.02    331.272  7635.66    467.896  7171.21    469.084  250.616 7.6944  242.857 7.9604  7.759247       11.07125 
1 1 1 -12 5   8  o 320.861 6.8244  12511.07   531.304  12644.92   750.591  12376.66   752.165  322.309 9.5977  318.858 9.7219  3.450958       13.66131 
1 1 1 -12 5   9  o 350.768 7.2553  14956.51   617.506  15580.91   872.640  14330.26   873.932  357.691 10.055  342.977 10.501  14.71457       14.53872 
1 1 1 -12 5   10 o 210.729 4.9258  5392.62    251.866  5621.40    355.798  5162.82    356.589  215.059 6.8184  206.083 7.1312  8.976334       9.866323 
1 1 1 -12 5   11 o 121.049 3.9037  1778.85    114.658  1839.69    159.752  1714.21    164.661  123.067 5.3498  118.786 5.7130  4.281418       7.826808 
1 1 1 -12 5   12 o 479.105 9.5600  27966.48   1111.35  27066.48   1571.39  28867.18   1572.00  470.264 13.771  485.788 13.336  -15.52322      19.17060 
1 1 1 -12 5   13 o 227.509 5.3053  6288.74    292.871  6098.08    412.927  6481.73    415.448  223.862 7.6020  230.813 7.4181  -6.950989      10.62162 
1 1 1 -12 5   14 f 305.643 6.5996  11361.98   489.437  11337.32   691.915  11386.68   692.422  304.926 9.3518  305.591 9.3383  -0.6653442     13.21587 
1 1 1 -12 5   15 o 105.273 3.8534  1345.82    98.430   1481.76    138.243  1206.05    140.180  110.420 5.1598  99.424  5.8363  10.99529       7.790132 
1 1 1 -12 5   16 o 201.005 4.9859  4910.66    243.173  5033.91    344.262  4787.92    343.538  203.335 6.9777  198.288 7.1403  5.047058       9.983558 
1 1 1 -12 5   17 o 164.348 4.3956  3282.06    175.287  3331.22    247.882  3232.90    247.906  165.447 6.1748  162.979 6.2689  2.467422       8.799253 
1 1 1 -12 5   18 o 355.977 10.858  15536.36   937.881  16915.81   1302.04  14048.78   1352.11  369.927 14.506  336.172 16.576  33.75516       22.02708 
1 1 1 -12 5   19 o 114.127 5.3577  1584.56    148.365  1394.68    193.030  1858.67    231.925  106.671 7.5057  123.173 7.8004  -16.50227      10.82507 
1 1 1 -12 5   20 o 313.001 9.5922  11994.39   728.493  12335.42   1005.41  11617.46   1057.01  316.180 13.105  306.386 14.218  9.794159       19.33669 
1 1 1 -12 5   21 o 99.649  3.8286  1206.44    92.571   1204.72    131.391  1208.12    130.444  99.354  5.4714  99.499  5.4235  -0.1457062     7.703919 
1 1 1 -12 5   22 o 123.495 3.9077  1853.01    117.094  1869.79    166.447  1836.56    164.758  123.960 5.5339  122.854 5.5270  1.105843       7.821257 
1 1 1 -12 5   23 o 124.049 3.9452  1869.74    118.748  1755.73    168.112  1983.28    167.758  120.104 5.7687  127.675 5.4152  -7.570366      7.912137 
1 1 1 -12 5   24 o 76.256  4.0382  708.583    74.452   798.992    102.772  608.736    108.004  80.873  5.2661  70.408  6.3916  10.46507       8.281573 
1 1 1 -12 5   25 o 180.720 4.6793  3970.95    205.189  3941.42    290.733  4000.26    289.632  179.845 6.6624  181.191 6.5879  -1.346313      9.369512 
1 1 1 -12 5   26 o 217.584 7.5428  5777.19    398.223  5590.46    594.849  5928.84    536.071  212.908 11.558  219.929 10.046  -7.020874      15.31343 
1 1 1 -12 5   27 o 164.599 6.6265  3302.29    264.653  2996.57    403.151  3533.81    350.831  155.854 10.726  169.801 8.5425  -13.94713      13.71208 
1 1 1 -12 5   28 o 220.097 7.7260  5916.46    412.603  5314.57    616.475  6404.86    555.321  207.195 12.318  228.485 10.017  -21.28967      15.87644 
1 1 1 -12 5   29 o 226.339 6.0051  6242.17    329.796  6273.45    409.929  6184.78    555.284  226.641 7.4543  224.384 10.199  2.256638       12.63276 
1 1 1 -12 5   30 o 128.551 4.1870  2009.51    130.599  1864.99    184.112  2155.88    185.284  123.679 6.1351  133.016 5.7408  -9.336716      8.402164 
1 1 1 -12 5   31 o 87.613  4.4793  936.462    94.905   900.083    146.134  962.998    124.808  85.526  7.1063  88.681  5.8328  -3.155159      9.193501 
1 1 1 -12 5   32 o 102.986 3.9936  1290.26    99.793   1016.47    139.604  1576.35    142.705  91.000  6.3626  113.728 5.1714  -22.72739      8.199154 
1 1 1 -12 5   33 o 124.036 4.1845  1873.13    125.939  1892.39    178.602  1854.08    177.612  124.454 5.9145  123.183 5.9423  1.270226       8.384032 
1 1 1 -12 5   34 o 92.049  4.1240  1032.10    92.108   1017.75    127.684  1047.67    132.999  91.046  5.8101  92.350  5.9673  -1.303993      8.328657 
1 1 1 -12 5   35 o 26.753  6.9462  91.253     45.489   141.884    58.661   14.887     72.043   33.303  7.4462  20.889  8.6637  12.41430       11.42393 
1 1 1 -12 5   36 o 58.763  4.6347  424.379    65.546   443.117    88.859   402.016    97.078   59.755  6.2198  56.658  7.2260  3.097313       9.534204 
1 1 1 -12 5   37 f 132.044 4.1609  2128.64    133.312  2256.68    188.784  2001.28    188.281  135.574 5.7388  127.579 6.0823  7.995186       8.362308 
1 1 1 -12 5   38 o 98.317  4.1049  1180.77    97.927   1131.26    135.971  1234.13    141.153  95.718  5.8830  100.002 5.8427  -4.283981      8.291339 
1 1 1 -12 5   39 o 45.032  6.5641  255.670    69.614   316.398    85.514   136.351    119.867  50.001  7.2607  33.899  11.840  16.10161       13.88928 
1 1 1 -12 5   40 o 54.013  5.9580  364.060    76.784   305.146    92.860   491.430    136.536  48.795  8.1292  61.738  9.4121  -12.94374      12.43668 
1 1 1 -12 5   41 o 48.205  5.0004  288.380    57.636   343.822    76.279   214.609    87.989   52.412  6.1128  40.464  9.1733  11.94803       11.02346 
1 1 1 -12 5   42 o 101.971 4.4118  1274.42    109.159  1190.30    152.967  1361.70    155.820  97.776  6.4845  104.733 6.1587  -6.957726      8.943055 
1 1 1 -12 5   43 o 16.767  7.2287  -3.0091    53.463   12.713     71.170   -23.3723   80.996   20.400  8.5480  19.386  8.6099  1.013723       12.13256 
1 1 1 -12 5   44 o 92.900  5.6818  1071.30    127.459  869.235    267.403  1130.71    144.990  78.927  14.497  95.201  6.3125  -16.27441      15.81190 
1 1 1 -12 5   45 o 29.091  10.045  102.572    86.151   85.731     177.316  107.776    98.567   33.400  13.696  30.166  10.719  3.234383       17.39173 
1 1 1 -12 5   46 o 50.870  15.541  380.693    209.487  380.693    209.487  0.0000     0.0000   50.870  15.541  ?       ?       0.000000       15.54055 
1 1 1 -12 5   47 o 23.371  9.0685  49.816     73.561   49.816     73.561   0.0000     0.0000   23.371  9.0685  ?       ?       0.000000       9.068537 
1 1 1 -12 5   48 o 58.754  4.9001  430.395    69.220   456.710    99.073   405.298    96.752   59.745  6.9649  56.108  7.2782  3.636887       10.07381 
1 1 1 -12 5   49 o 78.980  4.5835  774.292    87.460   747.898    123.334  800.989    124.043  76.645  6.6992  79.448  6.4914  -2.803078      9.328310 
1 1 1 -12 5   50 o 39.145  6.1167  196.872    56.197   192.732    83.271   200.335    76.154   37.608  9.2009  38.663  8.3611  -1.055000      12.43241 
1 1 1 -12 5   51 o 31.968  8.1605  137.210    63.515   102.605    79.699   197.442    105.147  28.348  9.6658  37.545  10.899  -9.196331      14.56791 
1 1 1 -12 5   52 o 51.104  6.0035  332.361    73.025   224.049    93.414   502.574    117.103  40.380  9.6632  61.990  7.9701  -21.60983      12.52594 
1 1 1 -12 5   53 o 23.103  8.9957  49.899     72.579   75.269     78.759   -92.9855   186.912  25.777  9.5224  26.379  12.234  -0.6021366     15.50304 
1 1 1 -12 5   54 o 52.711  14.830  429.734    197.648  0.0000     0.0000   429.734    197.648  ?       ?       52.711  14.830  0.000000       14.82982 
1 1 1 -12 5   55 o 45.372  5.8458  262.974    62.860   170.697    76.532   454.294    110.199  35.321  8.9261  58.753  7.9329  -23.43238      11.94179 
1 1 1 -12 6   1  o 217.751 9.8528  5772.06    520.576  0.0000     0.0000   5772.06    520.576  ?       ?       217.751 9.8528  0.000000       9.852823 
1 1 1 -12 6   2  f 221.902 6.0346  5981.46    324.920  5626.88    571.534  6150.79    394.953  214.630 11.012  224.959 7.2357  -10.32867      13.17614 
1 1 1 -12 6   3  o 631.666 12.524  48669.94   1919.51  47618.74   2712.92  49723.72   2716.27  623.038 17.946  636.802 17.579  -13.76355      25.12136 
1 1 1 -12 6   4  o 211.491 5.0082  5431.20    257.004  5514.67    362.659  5346.99    364.264  213.021 7.0164  209.750 7.1573  3.270905       10.02282 
1 1 1 -12 6   5  o 230.014 5.2952  6424.98    295.530  6684.24    417.464  6164.54    418.422  234.503 7.3368  225.183 7.6580  9.319916       10.60535 
1 1 1 -12 6   6  o 176.405 4.4556  3778.03    190.711  3788.03    269.436  3768.00    269.978  176.576 6.2887  176.107 6.3181  0.4684753      8.914375 
1 1 1 -12 6   7  o 125.637 3.9631  1916.11    120.815  1795.24    169.374  2041.31    172.382  121.571 5.7418  129.642 5.4800  -8.071342      7.937205 
1 1 1 -12 6   8  o 69.009  3.7051  579.727    61.812   626.334    87.913   534.159    86.927   71.636  5.0909  66.090  5.4698  5.545197       7.472370 
1 1 1 -12 6   9  o 138.100 4.0123  2315.26    134.448  2264.55    189.704  2366.44    190.575  136.533 5.7263  139.574 5.6273  -3.041077      8.028502 
1 1 1 -12 6   10 o 107.224 3.7169  1395.65    96.703   1446.40    136.432  1344.41    137.087  109.126 5.1526  105.064 5.3957  4.061607       7.460720 
1 1 1 -12 6   11 o 231.666 5.3921  6520.06    303.096  6695.76    428.381  6343.93    428.904  234.614 7.5251  228.350 7.7410  6.264679       10.79583 
1 1 1 -12 6   12 o 209.559 5.0499  5334.90    256.776  5360.50    361.983  5308.98    364.300  209.925 7.1066  208.907 7.1869  1.017441       10.10717 
1 1 1 -12 6   13 o 102.279 3.8237  1270.20    94.894   1317.04    131.255  1218.91    137.353  104.110 5.1959  99.981  5.6853  4.129517       7.701957 
1 1 1 -12 6   14 o 264.694 5.9348  8519.45    381.168  8584.23    538.093  8454.21    540.019  265.402 8.3558  263.371 8.4504  2.031067       11.88400 
1 1 1 -12 6   15 o 52.839  4.1681  341.254    53.004   379.754    73.017   298.363    77.067   55.619  5.4817  49.070  6.6435  6.549377       8.613102 
1 1 1 -12 6   16 o 97.831  3.8355  1162.52    91.046   1152.91    126.237  1172.94    131.437  97.222  5.3721  98.049  5.5475  -0.8264542     7.722313 
1 1 1 -12 6   17 o 171.714 6.3671  3590.10    265.283  3753.41    354.660  3382.69    399.698  175.351 8.3357  165.955 9.9723  9.395264       12.99735 
1 1 1 -12 6   18 o 78.579  5.3541  754.625    101.475  774.156    130.005  724.172    162.332  79.417  6.8125  76.463  8.9171  2.954102       11.22166 
1 1 1 -12 6   19 o 222.081 7.4604  6016.73    402.013  6287.74    545.252  5693.94    595.073  226.548 9.9191  214.946 11.451  11.60178       15.14978 
1 1 1 -12 6   20 o 128.206 4.0585  1997.39    126.253  1893.94    179.120  2099.53    177.984  124.726 5.9186  131.347 5.5847  -6.620575      8.137484 
1 1 1 -12 6   21 o 95.425  3.8526  1106.35    89.203   1148.46    126.852  1065.16    125.463  97.005  5.4109  93.394  5.5617  3.611778       7.759509 
1 1 1 -12 6   22 o 49.048  4.3387  294.681    51.102   315.852    72.693   273.997    71.853   50.577  6.0431  46.991  6.4738  3.586788       8.855985 
1 1 1 -12 6   23 o 23.885  7.1943  70.074     45.127   42.576     58.826   109.396    70.346   21.798  8.1944  29.799  8.9838  -8.000975      12.15966 
1 1 1 -12 6   24 o 212.399 5.1431  5487.64    265.061  5481.89    375.108  5493.37    374.598  212.005 7.2920  212.230 7.2743  -0.2245789     10.29995 
1 1 1 -12 6   25 o 14.573  6.3803  -10.3498   43.013   5.4573     56.137   -32.8252   66.938   18.068  7.5825  17.138  7.7037  0.9303303      10.80930 
1 1 1 -12 6   26 o 141.725 6.3443  2447.24    218.170  2161.64    339.339  2648.47    284.844  132.275 10.663  147.037 8.0142  -14.76237      13.33924 
1 1 1 -12 6   27 o 168.319 6.6249  3453.92    270.570  3389.35    417.081  3500.83    355.534  165.833 10.418  168.944 8.7027  -3.110611      13.57491 
1 1 1 -12 6   28 o 220.026 7.6764  5914.26    409.823  5604.72    615.827  6160.31    549.056  212.818 11.974  223.990 10.102  -11.17128      15.66669 
1 1 1 -12 6   29 o 231.134 5.3103  6504.79    297.813  6387.97    422.204  6620.47    420.147  228.613 7.6113  232.775 7.4388  -4.161728      10.64267 
1 1 1 -12 6   30 f 50.005  5.1736  307.747    61.865   319.343    89.328   297.059    85.761   50.565  7.5087  48.736  7.4922  1.829548       10.60728 
1 1 1 -12 6   31 f 73.102  4.5629  653.037    80.529   635.798    121.570  666.515    107.495  71.759  7.0741  73.653  6.0690  -1.893517      9.320721 
1 1 1 -12 6   32 o 121.418 4.2141  1794.68    124.151  1771.86    175.735  1817.42    175.419  120.431 6.0139  121.982 5.9268  -1.550713      8.443542 
1 1 1 -12 6   33 f 130.910 4.2395  2087.59    134.664  1981.42    190.567  2193.50    190.322  127.249 6.1720  133.944 5.8560  -6.694107      8.508035 
1 1 1 -12 6   34 o 56.357  4.4861  389.798    60.837   360.656    83.288   423.132    89.076   53.844  6.5071  58.405  6.3899  -4.561317      9.119875 
1 1 1 -12 6   35 o 215.172 5.3582  5666.59    279.750  5594.98    397.329  5737.00    393.944  212.822 7.6943  215.587 7.5309  -2.765137      10.76648 
1 1 1 -12 6   36 o 161.518 4.6126  3188.69    180.771  3146.41    256.508  3230.39    254.798  159.818 6.6147  161.986 6.4827  -2.167252      9.261713 
1 1 1 -12 6   37 o 87.954  4.1038  944.764    87.579   958.948    122.454  929.911    125.305  88.150  5.7568  86.739  5.9905  1.411156       8.308212 
1 1 1 -12 6   38 f 123.964 5.8137  1891.80    174.868  1991.49    224.933  1739.50    278.019  126.437 7.3638  116.910 9.8936  9.526611       12.33325 
1 1 1 -12 6   39 o 91.968  5.4418  1043.92    120.894  961.659    150.054  1196.10    204.086  87.726  7.1106  97.208  8.7463  -9.481445      11.27201 
1 1 1 -12 6   40 o 68.703  5.5533  585.026    91.784   635.877    112.786  485.315    157.933  71.347  6.5894  60.604  11.151  10.74364       12.95242 
1 1 1 -12 6   41 o 121.236 4.4573  1801.58    131.119  1846.54    185.924  1757.09    184.940  121.966 6.3040  118.912 6.4337  3.054047       9.007404 
1 1 1 -12 6   42 o 80.432  4.5145  796.076    87.749   827.276    122.341  763.020    125.928  81.487  6.2349  78.077  6.7124  3.410172       9.161387 
1 1 1 -12 6   43 f 45.891  5.9722  264.962    64.925   187.455    89.030   353.001    94.886   37.578  9.6986  52.543  7.6686  -14.96435      12.36401 
1 1 1 -12 6   44 o 91.118  6.7439  1042.01    148.042  821.434    268.987  1137.86    177.312  75.961  15.126  94.724  7.7834  -18.76311      17.01075 
1 1 1 -12 6   45 o 10.830  5.3212  -97.3833   48.486   29.651     161.224  -110.0149  50.839   29.583  12.649  10.822  5.3424  18.76177       13.73117 
1 1 1 -12 6   46 o 28.018  9.6040  96.617     78.687   96.617     78.687   0.0000     0.0000   28.018  9.6040  ?       ?       0.000000       9.604027 
1 1 1 -12 6   47 o 86.781  4.4495  931.445    93.376   1047.08    135.770  827.659    128.628  91.239  6.1691  80.856  6.6142  10.38247       9.044604 
1 1 1 -12 6   48 o 30.006  7.0013  118.442    50.042   70.123     77.477   153.029    65.549   25.323  9.4267  33.870  8.0877  -8.546474      12.42070 
1 1 1 -12 6   49 o 21.626  7.5228  55.218     48.364   116.045    79.387   19.317     60.988   29.697  9.6354  19.351  7.9941  10.34636       12.51981 
1 1 1 -12 6   50 f 26.043  8.5843  86.573     62.920   60.647     82.797   122.009    96.798   24.817  9.6234  30.710  10.645  -5.892445      14.35013 
1 1 1 -12 6   51 o 23.073  8.4688  59.146     62.136   84.230     78.988   18.424     100.643  26.576  9.5795  23.510  10.022  3.066212       13.86371 
1 1 1 -12 6   52 o 16.570  7.3673  -15.9543   59.458   40.710     75.221   -110.3199  97.071   22.588  9.0437  17.392  8.2922  5.196411       12.26983 
1 1 1 -12 6   53 o 30.254  13.290  22.534     187.988  0.0000     0.0000   22.534     187.988  ?       ?       30.254  13.290  0.000000       13.28998 
1 1 1 -12 6   54 o 32.597  7.9845  142.872    62.653   126.232    77.125   175.161    107.436  30.579  9.4441  35.388  11.181  -4.808552      14.63556 
1 1 1 -12 6   55 o 43.591  6.1536  244.901    63.277   182.230    77.721   368.112    108.975  36.427  8.8749  52.132  8.9367  -15.70434      12.59480 
1 1 1 -12 7   1  o 169.826 5.0749  3502.31    209.120  3887.79    370.132  3321.56    253.449  178.773 8.5328  165.343 6.3174  13.43082       10.61688 
1 1 1 -12 7   2  o 79.951  3.9547  775.934    76.718   812.106    97.167   716.061    125.012  81.631  4.9288  76.460  6.8097  5.171654       8.406213 
1 1 1 -12 7   3  o 81.386  3.5949  803.967    70.990   894.332    98.998   708.312    101.854  85.689  4.7805  76.165  5.5496  9.524651       7.324648 
1 1 1 -12 7   4  o 169.240 4.3481  3477.29    178.551  3605.07    251.465  3347.36    253.566  172.266 6.0161  165.984 6.2959  6.282120       8.708156 
1 1 1 -12 7   5  o 164.785 4.2689  3296.58    170.684  3359.03    240.854  3233.58    241.916  166.284 5.9695  163.144 6.1113  3.139969       8.542976 
1 1 1 -12 7   6  o 233.188 5.2889  6604.07    299.250  6815.43    422.367  6391.03    424.045  236.771 7.3518  229.263 7.6228  7.508209       10.59040 
1 1 1 -12 7   7  o 113.764 4.2733  1571.29    117.958  1612.22    148.672  1501.76    193.792  115.213 5.3182  110.908 7.2410  4.305191       8.984180 
1 1 1 -12 7   8  o 73.231  3.7465  652.707    66.348   633.225    93.064   672.845    94.617   72.003  5.3653  74.241  5.2870  -2.237450      7.532492 
1 1 1 -12 7   9  o 37.524  4.7975  173.791    42.681   181.410    59.280   165.590    61.502   38.080  6.6583  36.263  7.2432  1.816353       9.838509 
1 1 1 -12 7   10 o 256.409 5.7121  7988.89    355.381  8009.32    502.066  7968.38    503.106  256.536 8.0658  255.876 8.1034  0.6603241      11.43338 
1 1 1 -12 7   11 o 146.872 4.1065  2619.39    146.345  2673.72    207.050  2565.15    206.877  148.323 5.7531  145.275 5.8689  3.047989       8.218419 
1 1 1 -12 7   12 o 356.362 7.3706  15456.18   637.324  15320.37   900.894  15592.24   901.731  354.218 10.482  357.365 10.399  -3.147064      14.76529 
1 1 1 -12 7   13 o 487.582 9.9767  29030.11   1180.31  29986.19   1669.00  28073.53   1669.43  494.034 13.923  477.810 14.400  16.22379       20.02994 
1 1 1 -12 7   14 o 87.116  3.8360  921.721    81.085   923.598    111.201  919.590    118.489  87.003  5.2928  86.777  5.6583  0.2253265      7.747917 
1 1 1 -12 7   15 o 413.928 8.4698  20907.71   850.676  20081.35   1202.53  21735.46   1203.55  404.387 12.256  420.904 11.785  -16.51645      17.00227 
1 1 1 -12 7   16 o 81.843  5.6953  818.905    112.397  670.501    134.771  1157.91    203.694  73.761  7.6410  96.978  8.7507  -23.21700      11.61724 
1 1 1 -12 7   17 o 119.477 5.5858  1736.99    161.932  1494.31    205.211  2137.49    263.620  110.404 7.7088  132.048 8.2695  -21.64489      11.30531 
1 1 1 -12 7   18 f 173.358 6.4111  3661.05    269.674  3664.59    358.267  3656.42    409.625  173.169 8.5265  172.500 9.8273  0.6691589      13.01066 
1 1 1 -12 7   19 o 118.312 5.4816  1703.37    157.363  1673.36    205.475  1745.94    244.727  116.909 7.2796  119.231 8.5152  -2.321999      11.20276 
1 1 1 -12 7   20 o 81.059  3.8134  798.288    75.002   751.586    106.298  844.589    105.841  78.385  5.6263  83.156  5.2729  -4.770378      7.710969 
1 1 1 -12 7   21 o 59.455  4.1222  431.629    59.100   472.537    84.246   391.989    82.930   62.056  5.6572  56.405  6.1596  5.651653       8.363250 
1 1 1 -12 7   22 o 174.900 4.6440  3719.11    197.081  3855.20    279.556  3584.65    277.881  177.892 6.4766  171.514 6.6772  6.377945       9.302253 
1 1 1 -12 7   23 o 68.540  4.1262  572.957    68.300   529.965    94.353   620.285    98.997   65.706  5.9837  71.151  5.7843  -5.445099      8.322406 
1 1 1 -12 7   24 o 211.322 5.1525  5432.57    264.198  5526.69    374.328  5339.16    372.939  212.863 7.2475  209.204 7.3469  3.658081       10.32004 
1 1 1 -12 7   25 o 242.599 7.9541  7188.00    468.211  7454.35    696.580  6968.49    632.368  246.113 11.665  238.160 10.943  7.952972       15.99417 
1 1 1 -12 7   26 o 156.283 6.4372  2976.71    244.102  2939.03    379.757  3003.24    318.652  154.438 10.191  156.503 8.4223  -2.065491      13.22122 
1 1 1 -12 7   27 f 261.523 8.3531  8365.34    530.055  8908.71    785.838  7911.77    717.972  268.708 12.053  253.357 11.679  15.35172       16.78310 
1 1 1 -12 7   28 o 126.598 4.1932  1948.72    128.807  1892.14    181.485  2006.16    182.844  124.601 6.0028  128.313 5.8728  -3.711876      8.397819 
1 1 1 -12 7   29 o 83.358  4.1559  845.038    84.058   842.610    117.106  847.618    120.730  82.936  5.8569  83.161  6.0240  -0.2244873     8.401938 
1 1 1 -12 7   30 o 150.400 4.8759  2754.61    177.938  2631.92    288.471  2829.96    226.069  146.299 8.1588  152.279 6.1184  -5.979782      10.19810 
1 1 1 -12 7   31 o 68.726  4.3764  577.363    72.600   535.324    98.602   627.139    107.292  65.901  6.2407  71.372  6.2587  -5.470741      8.838460 
1 1 1 -12 7   32 o 152.483 4.4911  2833.20    166.164  2742.66    235.044  2923.67    234.940  149.676 6.4719  154.580 6.2638  -4.904373      9.006710 
1 1 1 -12 7   33 o 108.925 4.1265  1445.67    109.061  1424.83    152.762  1467.32    155.752  107.745 5.8653  109.339 5.8925  -1.593300      8.314090 
1 1 1 -12 7   34 o 167.468 4.7106  3424.84    191.415  3497.40    272.133  3353.78    269.292  168.689 6.6486  165.166 6.7195  3.522736       9.452833 
1 1 1 -12 7   35 o 26.833  7.1357  91.982     47.264   74.185     61.295   118.081    74.230   25.181  8.4772  30.594  9.2296  -5.413176      12.53192 
1 1 1 -12 7   36 o 91.098  4.1857  1013.59    92.522   955.314    129.409  1074.52    132.331  87.908  6.1048  93.318  5.8743  -5.409676      8.472072 
1 1 1 -12 7   37 o 144.678 4.4647  2561.03    156.733  2433.89    222.319  2686.65    220.995  140.371 6.5273  147.620 6.1698  -7.248917      8.981802 
1 1 1 -12 7   38 o 70.549  5.5719  616.149    94.603   604.868    115.405  639.258    165.181  69.518  6.9342  70.398  9.9473  -0.8804932     12.12566 
1 1 1 -12 7   39 o 87.214  5.5139  940.184    116.083  865.131    143.868  1080.21    196.508  83.100  7.2064  92.203  8.8939  -9.102875      11.44701 
1 1 1 -12 7   40 o 131.031 4.3542  2103.31    138.435  1989.16    196.515  2215.76    195.046  126.558 6.4205  133.907 6.0030  -7.348816      8.789693 
1 1 1 -12 7   41 o 15.337  6.9588  -30.5696   56.123   -49.4812   75.172   -6.7516    84.362   17.240  7.9096  20.778  9.0188  -3.537943      11.99588 
1 1 1 -12 7   42 o 24.001  8.1531  68.150     56.703   111.013    77.375   18.426     83.337   29.654  9.5012  22.216  9.2747  7.437754       13.27752 
1 1 1 -12 7   43 o 86.974  6.8386  950.048    143.154  964.595    257.930  943.572    172.093  84.082  13.067  85.966  8.3559  -1.884468      15.51006 
1 1 1 -12 7   44 o 34.600  8.4442  158.148    70.269   140.245    184.553  161.183    75.993   36.434  14.300  34.845  8.9432  1.589645       16.86639 
1 1 1 -12 7   45 o 29.564  10.006  109.490    85.401   109.490    85.401   0.0000     0.0000   29.564  10.006  ?       ?       0.000000       10.00600 
1 1 1 -12 7   46 o 38.392  9.2469  198.521    85.115   198.521    85.115   0.0000     0.0000   38.392  9.2469  ?       ?       0.000000       9.246930 
1 1 1 -12 7   47 o 53.314  5.1630  356.227    65.952   354.911    97.280   357.346    89.719   52.123  7.9429  52.623  7.2167  -0.5003281     10.73175 
1 1 1 -12 7   48 o 63.138  4.8894  497.679    74.321   506.854    111.087  490.244    99.997   62.585  7.4624  61.877  6.7708  0.7074661      10.07627 
1 1 1 -12 7   49 o 49.367  5.4375  307.906    64.052   373.294    93.372   249.784    88.031   53.585  7.3769  43.091  8.7189  10.49425       11.42094 
1 1 1 -12 7   50 o 10.556  5.2350  -117.0843  50.886   -111.6669  63.074   -127.1847  86.123   12.701  6.2048  15.464  7.4837  -2.762893      9.721414 
1 1 1 -12 7   51 o 15.207  6.9507  -32.8841   57.320   33.268     71.654   -150.4482  95.523   21.636  8.7686  15.965  7.7628  5.670850       11.71111 
1 1 1 -12 7   52 o 26.298  12.154  -82.5658   182.168  0.0000     0.0000   -82.5658   182.168  ?       ?       26.298  12.154  0.000000       12.15412 
1 1 1 -12 7   53 o 21.645  10.597  -291.0310  186.961  0.0000     0.0000   -291.0310  186.961  ?       ?       21.645  10.597  0.000000       10.59692 
1 1 1 -12 7   54 o 16.812  7.3565  -6.2076    57.105   -13.1535   70.777   6.7474     96.660   18.242  8.0775  22.320  9.6709  -4.078587      12.60052 
1 1 1 -12 8   1  o 416.494 8.4654  21103.96   855.502  21664.71   1207.58  20538.96   1212.16  421.436 11.809  410.270 12.177  11.16562       16.96250 
1 1 1 -12 8   2  o 59.136  4.2071  426.707    59.973   498.032    96.802   382.277    76.402   63.707  6.3468  55.806  5.7233  7.900421       8.546246 
1 1 1 -12 8   3  o 422.934 8.5466  21762.81   877.064  21820.82   1238.17  21704.39   1242.55  422.901 12.066  421.756 12.142  1.144745       17.11800 
1 1 1 -12 8   4  o 312.037 6.6037  11832.99   499.987  11827.41   705.318  11838.62   708.871  311.697 9.3258  311.840 9.3685  -0.1427002     13.21895 
1 1 1 -12 8   5  o 258.036 6.4548  8091.42    404.134  7847.04    685.121  8221.83    500.478  253.690 11.130  259.996 7.9333  -6.306000      13.66811 
1 1 1 -12 8   6  o 257.527 5.7495  8057.13    359.266  7860.93    507.452  8254.31    508.708  254.188 8.2277  260.486 8.0486  -6.298340      11.50974 
1 1 1 -12 8   7  o 283.278 6.1698  9751.83    424.078  9782.43    598.769  9721.03    600.708  283.487 8.7049  282.590 8.7608  0.8971252      12.35013 
1 1 1 -12 8   8  o 98.782  3.7467  1184.60    89.803   1105.04    126.124  1266.41    127.895  95.214  5.4824  101.974 5.1860  -6.760010      7.546642 
1 1 1 -12 8   9  o 39.134  4.7617  188.757    44.283   214.861    60.972   159.617    64.421   41.585  6.2348  35.538  7.6939  6.047382       9.902995 
1 1 1 -12 8   10 o 166.826 4.4908  3380.19    181.782  3362.21    256.263  3398.41    257.903  166.289 6.3512  167.182 6.3578  -0.8925476     8.986625 
1 1 1 -12 8   11 o 109.231 3.8224  1448.80    101.309  1502.73    143.111  1394.63    143.434  111.200 5.3040  106.974 5.5450  4.225632       7.673305 
1 1 1 -12 8   12 o 215.550 5.0446  5646.38    263.840  5717.27    372.705  5575.16    373.548  216.720 7.0876  213.999 7.1940  2.721146       10.09893 
1 1 1 -12 8   13 o 227.828 5.3591  6310.66    296.254  6507.56    418.613  6113.09    419.322  231.124 7.4646  223.978 7.7158  7.146042       10.73557 
1 1 1 -12 8   14 o 69.252  3.8326  584.307    64.150   682.758    91.534   489.277    89.930   74.768  5.0756  63.137  5.9401  11.63055       7.813202 
1 1 1 -12 8   15 o 369.797 10.734  16761.99   963.121  15787.09   1336.25  17816.02   1389.42  356.941 15.429  379.355 15.095  -22.41348      21.58453 
1 1 1 -12 8   16 o 330.261 9.7613  13354.32   782.222  12506.16   1079.73  14291.16   1134.78  318.078 13.990  340.128 13.750  -22.04990      19.61594 
1 1 1 -12 8   17 o 310.951 9.2391  11831.49   697.086  10809.67   958.902  12976.72   1015.16  295.847 13.358  324.342 12.899  -28.49454      18.56959 
1 1 1 -12 8   18 o 291.709 8.9241  10407.50   631.651  10015.73   866.055  10852.74   923.266  285.056 12.521  296.613 12.828  -11.55634      17.92629 
1 1 1 -12 8   19 o 241.383 5.4680  7090.04    320.256  6925.29    451.840  7256.36    453.989  238.189 7.8180  243.844 7.6731  -5.654388      10.95435 
1 1 1 -12 8   20 f 147.794 4.2138  2654.72    151.111  2693.34    214.012  2616.31    213.397  148.737 5.9300  146.588 5.9996  2.148438       8.435663 
1 1 1 -12 8   21 f 164.290 4.4458  3281.06    177.225  3195.97    250.725  3366.03    250.543  161.977 6.3794  166.248 6.2110  -4.271317      8.903574 
1 1 1 -12 8   22 o 81.369  4.0200  804.571    79.370   901.677    109.758  698.134    114.911  85.927  5.2900  75.442  6.3361  10.48502       8.254129 
1 1 1 -12 8   23 o 173.461 4.7211  3658.75    198.705  3420.76    280.516  3898.44    281.509  167.507 6.9018  178.871 6.4862  -11.36426      9.471283 
1 1 1 -12 8   24 o 20.901  8.9582  -4.3843    81.210   -125.9945  135.316  64.075     101.527  22.102  10.304  27.854  10.696  -5.752146      14.85119 
1 1 1 -12 8   25 o 47.709  8.3985  286.339    93.672   176.220    162.767  340.871    114.541  39.702  13.801  51.970  9.4306  -12.26828      16.71568 
1 1 1 -12 8   26 o 76.016  6.5798  709.760    120.165  494.179    203.003  826.041    149.091  61.961  13.851  81.898  7.5889  -19.93726      15.79351 
1 1 1 -12 8   27 o 110.773 4.1301  1491.85    111.010  1363.56    154.609  1628.37    159.489  105.602 6.0592  115.620 5.6850  -10.01817      8.308661 
1 1 1 -12 8   28 o 101.402 4.0571  1250.27    99.821   1241.56    140.350  1259.18    142.000  100.770 5.7640  101.481 5.7909  -0.7112350     8.170554 
1 1 1 -12 8   29 f 100.272 4.4656  1223.55    108.648  1212.90    170.825  1230.79    140.796  99.348  7.1339  100.296 5.8104  -0.9477539     9.200744 
1 1 1 -12 8   30 o 57.969  4.5946  411.764    64.097   353.895    87.265   479.560    94.454   53.351  6.9031  62.334  6.3329  -8.983868      9.367949 
1 1 1 -12 8   31 o 64.435  4.3615  508.012    67.789   480.099    94.588   537.487    97.201   62.331  6.3425  66.023  6.1378  -3.691860      8.826143 
1 1 1 -12 8   32 o 144.763 4.3552  2554.29    152.979  2591.17    216.070  2517.23    216.621  145.476 6.1212  143.362 6.2273  2.113342       8.732081 
1 1 1 -12 8   33 o 106.408 4.1256  1380.36    106.519  1359.87    149.404  1401.53    151.907  105.195 5.8769  106.797 5.8849  -1.602165      8.316785 
1 1 1 -12 8   34 o 83.455  4.1413  849.737    83.859   855.184    117.552  844.092    119.664  83.291  5.8538  82.712  6.0034  0.5786819      8.384981 
1 1 1 -12 8   35 o 98.318  4.1404  1180.24    98.774   1100.86    138.587  1262.19    140.815  94.420  6.0815  101.216 5.7575  -6.796539      8.374592 
1 1 1 -12 8   36 o 164.240 4.7635  3303.54    189.831  3298.19    269.880  3308.78    267.067  163.309 6.8108  163.609 6.7274  -0.2997742     9.573140 
1 1 1 -12 8   37 o 60.749  5.8286  458.632    84.860   509.279    102.854  350.659    150.178  63.798  6.7467  51.089  12.269  12.70882       14.00177 
1 1 1 -12 8   38 o 37.006  7.2455  175.897    62.730   201.344    73.717   109.102    119.432  39.471  7.9716  31.750  11.727  7.720852       14.17968 
1 1 1 -12 8   39 o 80.704  4.2846  799.801    83.602   741.073    115.334  864.823    121.358  77.162  6.2128  83.449  6.0342  -6.287498      8.660877 
1 1 1 -12 8   40 o 58.199  5.4188  420.828    75.642   372.961    106.839  468.938    107.111  53.848  8.4557  60.874  7.4041  -7.026505      11.23916 
1 1 1 -12 8   41 o 67.238  5.1144  559.756    82.815   559.347    114.132  560.212    120.350  66.575  7.1789  66.476  7.5978  0.9889221E-01  10.45291 
1 1 1 -12 8   42 o 18.070  7.5967  8.1619     56.510   -66.9998   74.879   107.616    86.133   16.342  7.6340  29.627  10.049  -13.28487      12.61956 
1 1 1 -12 8   43 o 14.473  6.7176  -46.2124   56.528   260.001    167.028  -85.8225   60.073   43.348  13.967  13.254  6.3735  30.09367       15.35253 
1 1 1 -12 8   44 o 43.007  15.168  254.584    197.009  254.584    197.009  0.0000     0.0000   43.007  15.168  ?       ?       0.000000       15.16829 
1 1 1 -12 8   45 o 73.067  6.7527  676.886    118.365  676.886    118.365  0.0000     0.0000   73.067  6.7527  ?       ?       0.000000       6.752685 
1 1 1 -12 8   46 o 57.675  5.1167  415.976    70.861   435.865    105.815  399.804    95.416   57.997  7.7104  55.725  7.2269  2.271519       10.56779 
1 1 1 -12 8   47 o 66.058  4.7393  543.457    75.459   537.985    109.662  548.378    103.994  64.705  7.1016  65.565  6.6279  -0.8596497     9.713991 
1 1 1 -12 8   48 f 20.316  7.5525  43.104     49.699   64.759     81.552   30.311     62.683   25.058  9.5944  20.447  8.2311  4.611734       12.64134 
1 1 1 -12 8   49 o 41.166  6.9314  220.838    66.774   203.536    87.946   244.389    102.606  38.490  9.4794  41.918  10.188  -3.428654      13.91582 
1 1 1 -12 8   50 o 38.038  7.3807  190.842    65.664   136.600    84.824   271.957    103.729  31.768  9.9196  44.418  9.8797  -12.65036      14.00027 
1 1 1 -12 8   51 o 19.885  9.8300  -334.1207  174.220  0.0000     0.0000   -334.1207  174.220  ?       ?       19.885  9.8300  0.000000       9.830039 
1 1 1 -12 8   52 o 28.603  12.912  -25.8253   190.364  0.0000     0.0000   -25.8253   190.364  ?       ?       28.603  12.912  0.000000       12.91181 
1 1 1 -12 8   53 o 41.038  7.3013  221.876    70.039   202.778    89.498   252.055    112.502  38.224  9.6487  42.064  10.925  -3.839954      14.57570 
1 1 1 -12 8   54 f 62.551  5.4925  495.732    82.518   455.369    105.444  559.512    132.548  58.841  7.5604  64.551  8.6829  -5.710228      11.51311 
1 1 1 -12 9   1  o 230.490 5.2259  6452.63    292.264  6539.04    411.247  6364.46    415.432  231.902 7.3086  228.773 7.4840  3.128906       10.46067 
1 1 1 -12 9   2  o 232.435 5.2684  6562.12    297.129  6458.98    418.288  6667.16    422.147  230.465 7.4801  234.154 7.4302  -3.688309      10.54319 
1 1 1 -12 9   3  o 319.726 6.7826  12426.17   526.183  12625.73   742.053  12224.35   746.235  321.981 9.4982  316.795 9.7081  5.186371       13.58169 
1 1 1 -12 9   4  o 215.275 5.6700  5630.21    296.168  6081.66    366.438  4779.74    502.952  223.674 6.7518  197.738 10.521  25.93607       12.50077 
1 1 1 -12 9   5  o 122.844 4.3681  1832.36    130.199  2025.46    213.751  1718.46    164.169  128.892 6.8594  118.929 5.6890  9.963234       8.911568 
1 1 1 -12 9   6  o 100.771 3.6999  1232.78    90.467   1281.38    127.148  1182.96    128.745  102.709 5.1020  98.530  5.4058  4.178497       7.433228 
1 1 1 -12 9   7  o 134.751 3.9711  2204.65    129.838  2241.45    183.098  2167.44    184.145  135.820 5.5559  133.554 5.6825  2.265701       7.947241 
1 1 1 -12 9   8  o 211.674 5.0266  5443.23    258.172  5450.29    363.992  5436.09    366.239  211.670 7.0871  211.390 7.1403  0.2803040      10.06035 
1 1 1 -12 9   9  o 142.257 4.0978  2457.56    141.447  2462.14    198.985  2452.88    201.103  142.322 5.7621  142.051 5.8346  0.2711639      8.200273 
1 1 1 -12 9   10 o 119.748 3.8759  1741.34    112.617  1826.80    158.516  1654.26    160.022  122.600 5.3287  116.653 5.6535  5.946251       7.769000 
1 1 1 -12 9   11 o 60.806  3.9558  450.957    58.047   430.475    80.220   473.468    84.100   59.234  5.6499  62.149  5.6384  -2.914642      7.982050 
1 1 1 -12 9   12 o 250.895 5.6624  7655.58    344.713  7688.95    487.363  7622.17    487.632  251.136 7.9980  250.037 8.0376  1.098938       11.33885 
1 1 1 -12 9   13 o 261.847 5.8707  8342.20    372.993  8399.18    527.091  8285.04    527.895  262.366 8.2797  260.565 8.3496  1.801392       11.75882 
1 1 1 -12 9   14 o 70.055  5.4398  600.575    91.741   511.104    115.483  753.629    151.043  64.306  7.5445  78.174  8.0795  -13.86750      11.05437 
1 1 1 -12 9   15 o 340.657 10.316  14225.17   852.688  14784.45   1181.36  13616.92   1232.00  345.758 14.081  331.244 15.328  14.51425       20.81458 
1 1 1 -12 9   16 o 393.835 11.328  19063.33   1082.55  17760.39   1503.77  20464.92   1559.66  377.468 16.419  405.559 15.849  -28.09146      22.82047 
1 1 1 -12 9   17 o 202.518 7.0363  5001.15    345.757  5008.49    461.791  4991.79    521.601  202.262 9.4095  201.381 10.713  0.8811035      14.25876 
1 1 1 -12 9   18 o 61.495  4.1227  461.643    61.160   482.050    84.576   439.274    88.546   62.685  5.6203  59.739  6.1989  2.945961       8.367453 
1 1 1 -12 9   19 o 175.041 4.5548  3724.96    193.452  3594.36    271.526  3859.59    275.686  171.758 6.5152  177.997 6.3832  -6.239655      9.121037 
1 1 1 -12 9   20 o 129.077 4.0584  2024.65    127.107  1953.20    177.813  2099.31    181.766  126.670 5.7853  131.329 5.7041  -4.658730      8.124447 
1 1 1 -12 9   21 o 67.508  4.1403  555.935    67.491   465.677    93.516   654.049    97.502   61.504  6.3582  73.102  5.5380  -11.59823      8.431879 
1 1 1 -12 9   22 o 101.036 4.0346  1240.55    98.910   1124.07    138.860  1360.52    140.921  95.892  5.9982  105.588 5.5196  -9.695557      8.151358 
1 1 1 -12 9   23 f 108.959 6.1883  1450.80    162.930  1042.39    258.824  1718.88    209.692  91.255  11.979  118.468 7.3309  -27.21361      14.04381 
1 1 1 -12 9   24 o 158.497 6.5777  3062.26    252.962  2695.95    389.472  3329.54    332.685  147.707 10.945  164.824 8.3458  -17.11710      13.76387 
1 1 1 -12 9   25 o 323.424 9.8891  12834.57   776.058  13039.08   1133.36  12654.04   1064.86  323.950 14.419  319.479 13.737  4.470978       19.91484 
1 1 1 -12 9   26 o 266.512 8.3919  8692.61    542.674  9553.90    804.869  7974.71    734.821  278.177 11.924  254.152 11.916  24.02486       16.85763 
1 1 1 -12 9   27 o 107.458 4.0940  1404.10    106.745  1377.20    150.012  1431.69    151.928  106.140 5.8474  108.231 5.8064  -2.091370      8.240534 
1 1 1 -12 9   28 o 60.198  4.9085  444.143    71.072   467.250    102.057  422.385    99.034   61.449  6.9681  58.355  7.1435  3.093975       9.979144 
1 1 1 -12 9   29 o 91.876  4.1606  1027.17    92.753   964.304    128.377  1095.83    134.158  88.678  6.0017  94.577  5.8751  -5.899879      8.398660 
1 1 1 -12 9   30 o 23.715  7.2461  69.142     45.543   60.667     58.591   82.080     72.389   23.594  8.2760  26.894  9.2117  -3.299541      12.38336 
1 1 1 -12 9   31 o 39.414  5.7115  193.780    53.029   196.327    72.766   190.894    77.443   39.257  7.9125  38.606  8.4975  0.6504364      11.61104 
1 1 1 -12 9   32 o 70.963  4.2980  616.284    73.656   584.432    100.391  653.422    108.400  68.794  6.0767  72.745  6.2005  -3.951027      8.681690 
1 1 1 -12 9   33 o 33.009  6.7177  138.811    51.974   191.172    69.938   74.226     77.674   38.674  7.7234  26.389  9.5009  12.28439       12.24409 
1 1 1 -12 9   34 o 129.923 4.3682  2062.16    137.707  2061.98    194.606  2062.35    194.888  129.465 6.1950  129.474 6.2035  -0.9292603E-02 8.767055 
1 1 1 -12 9   35 o 99.399  4.1794  1207.23    100.800  1274.97    142.061  1138.54    143.050  101.663 5.7829  95.938  6.1780  5.724846       8.462292 
1 1 1 -12 9   36 o 77.059  5.6372  734.444    104.672  828.696    128.947  552.360    179.227  81.610  6.5674  64.611  11.870  16.99982       13.56552 
1 1 1 -12 9   37 o 55.116  6.0961  379.498    80.161   412.445    95.026   298.196    149.273  57.239  6.9871  46.937  12.768  10.30208       14.55489 
1 1 1 -12 9   38 o 145.971 6.1658  2635.33    218.383  2572.33    281.213  2731.04    346.626  143.000 8.1383  146.184 9.8294  -3.184387      12.76129 
1 1 1 -12 9   39 o 127.628 4.5443  1997.97    140.727  1870.30    197.290  2130.23    200.794  122.549 6.6598  131.121 6.3112  -8.571564      9.175233 
1 1 1 -12 9   40 o 118.406 4.5518  1720.85    130.775  1889.60    184.546  1550.66    185.342  123.482 6.1594  111.371 6.8925  12.11065       9.243638 
1 1 1 -12 9   41 o 55.958  5.6468  390.938    75.622   342.243    104.066  445.424    110.079  51.344  8.6615  59.027  7.8828  -7.683002      11.71152 
1 1 1 -12 9   42 o 14.039  6.8067  -115.6855  72.059   -20.3150   170.369  -136.4638  79.522   28.312  12.535  14.451  7.0394  13.86014       14.37604 
1 1 1 -12 9   43 o 85.158  13.441  1010.18    268.519  1010.18    268.519  0.0000     0.0000   85.158  13.441  ?       ?       0.000000       13.44117 
1 1 1 -12 9   44 o 27.747  9.9264  90.611     84.659   90.611     84.659   0.0000     0.0000   27.747  9.9264  ?       ?       0.000000       9.926355 
1 1 1 -12 9   45 o 15.994  6.8379  1.5462     47.102   44.905     81.312   -20.3512   57.785   23.614  9.4204  16.098  7.2026  7.515373       11.85841 
1 1 1 -12 9   46 o 37.926  6.4104  185.688    56.889   155.219    86.937   208.506    75.233   33.770  9.9416  39.616  8.0998  -5.846275      12.82349 
1 1 1 -12 9   47 o 46.961  5.6647  279.814    63.244   267.043    96.434   289.452    83.778   44.348  9.2607  46.991  7.6078  -2.643021      11.98496 
1 1 1 -12 9   48 o 41.683  7.1613  227.331    69.819   309.071    94.476   128.972    103.636  48.174  8.3871  31.461  11.008  16.71369       13.83937 
1 1 1 -12 9   49 o 19.052  7.8349  20.272     58.242   1.9930     74.110   49.795     94.184   19.664  8.4940  24.878  10.063  -5.214064      13.16886 
1 1 1 -12 9   50 o 56.896  7.8404  424.033    105.364  313.741    130.478  630.753    178.631  46.868  11.548  67.142  11.371  -20.27411      16.20673 
1 1 1 -12 9   51 o 35.230  14.992  106.112    224.499  0.0000     0.0000   106.112    224.499  ?       ?       35.230  14.992  0.000000       14.99155 
1 1 1 -12 9   52 o 36.386  9.2377  182.119    81.704   145.122    88.321   401.625    215.130  32.526  10.116  49.876  15.828  -17.35045      18.78495 
1 1 1 -12 9   53 o 29.609  8.5808  119.005    65.221   132.375    80.316   93.117     111.758  31.078  9.6440  28.809  11.178  2.268368       14.76321 
1 1 1 -12 10  1  o 111.091 3.6639  1498.18    98.761   1482.09    138.501  1514.82    140.867  110.459 5.1676  111.671 5.1988  -1.212158      7.330181 
1 1 1 -12 10  2  o 195.185 4.7785  4626.86    226.309  4637.27    318.396  4616.25    321.728  195.303 6.7189  194.854 6.8048  0.4483795      9.562867 
1 1 1 -12 10  3  o 47.039  4.5629  271.231    51.424   379.118    81.617   200.206    66.222   55.511  6.1636  39.984  7.0851  15.52689       9.390832 
1 1 1 -12 10  4  o 108.562 3.7555  1430.82    98.926   1351.55    138.468  1513.47    141.383  105.332 5.4364  111.617 5.2204  -6.285736      7.537028 
1 1 1 -12 10  5  o 179.037 4.5392  3892.90    197.192  3830.64    277.125  3956.76    280.650  177.506 6.4343  180.405 6.4114  -2.899597      9.083271 
1 1 1 -12 10  6  o 131.804 3.9474  2109.37    126.242  2001.32    177.610  2219.70    179.469  128.325 5.7042  135.154 5.4726  -6.829391      7.904884 
1 1 1 -12 10  7  o 288.603 6.3662  10128.36   445.803  9954.73    629.469  10303.09   631.458  285.778 9.0778  290.754 8.9506  -4.976318      12.74835 
1 1 1 -12 10  8  o 330.215 7.0144  13268.89   562.018  13469.30   794.206  13067.87   795.423  332.214 9.8526  327.193 10.019  5.020935       14.05194 
1 1 1 -12 10  9  o 61.633  3.9354  463.194    58.545   434.487    81.322   494.078    84.350   59.509  5.7019  63.512  5.5286  -4.003826      7.942100 
1 1 1 -12 10  10 o 146.144 4.1909  2594.49    148.611  2534.06    209.217  2656.02    211.133  144.337 5.9738  147.776 5.8883  -3.438110      8.388015 
1 1 1 -12 10  11 o 130.197 4.0371  2059.18    127.537  2066.44    179.032  2051.69    181.728  130.345 5.6607  129.873 5.7669  0.4721375      8.080894 
1 1 1 -12 10  12 o 169.423 4.5445  3488.62    186.819  3414.98    263.564  3562.99    264.844  167.471 6.4861  171.072 6.3804  -3.600800      9.098303 
1 1 1 -12 10  13 o 175.906 6.4728  3768.67    276.272  3864.76    370.094  3647.73    415.200  177.873 8.5750  172.321 9.9728  5.552811       13.15249 
1 1 1 -12 10  14 o 218.411 7.4309  5819.14    393.807  6205.36    534.471  5360.43    582.473  225.093 9.7858  208.514 11.558  16.57904       15.14423 
1 1 1 -12 10  15 o 111.466 5.4298  1511.95    146.855  1498.19    189.494  1532.62    232.372  110.615 7.0977  111.639 8.6458  -1.024155      11.18599 
1 1 1 -12 10  16 o 150.046 5.9923  2741.61    218.162  2811.84    288.123  2647.24    333.990  151.553 7.8622  146.744 9.4301  4.808685       12.27764 
1 1 1 -12 10  17 o 202.354 4.8420  4979.67    237.736  4902.63    334.645  5058.17    337.798  200.537 6.8774  203.700 6.8344  -3.162476      9.695774 
1 1 1 -12 10  18 o 211.912 5.0391  5462.22    259.103  5354.66    365.007  5571.46    367.864  209.537 7.1792  213.750 7.0928  -4.213242      10.09201 
1 1 1 -12 10  19 o 111.059 3.9823  1498.80    107.314  1479.09    149.577  1519.70    154.051  110.096 5.6179  111.591 5.7086  -1.494881      8.009324 
1 1 1 -12 10  20 o 42.706  5.6415  225.817    57.028   258.946    74.425   178.707    88.751   45.573  6.9505  37.500  9.6858  8.072800       11.92160 
1 1 1 -12 10  21 o 133.376 4.3276  2162.43    140.052  1998.78    195.828  2333.76    200.378  128.090 6.3008  138.438 5.9653  -10.34749      8.676663 
1 1 1 -12 10  22 o 88.835  6.2956  966.265    134.824  827.465    236.491  1033.10    164.105  81.030  12.425  91.711  7.4386  -10.68060      14.48119 
1 1 1 -12 10  23 o 140.741 6.3303  2413.80    216.174  2378.24    344.042  2436.99    277.880  138.830 10.286  140.979 8.1583  -2.148804      13.12895 
1 1 1 -12 10  24 o 390.524 11.819  18803.30   1119.95  17856.64   1618.86  19672.28   1551.01  376.834 17.705  396.730 16.112  -19.89594      23.93886 
1 1 1 -12 10  25 o 72.232  6.5087  641.386    112.848  1008.43    192.589  449.475    139.259  90.302  8.9055  59.729  9.9596  30.57357       13.36050 
1 1 1 -12 10  26 o 184.452 4.7822  4140.33    214.032  4079.73    302.465  4201.12    302.910  182.807 6.8190  185.522 6.7291  -2.714844      9.580111 
1 1 1 -12 10  27 o 17.804  7.0711  20.246     45.626   122.143    60.396   -115.2128  69.636   31.002  7.9814  13.868  6.7158  17.13349       10.43096 
1 1 1 -12 10  28 o 137.017 4.7959  2286.57    159.446  2338.62    255.522  2253.37    204.046  137.944 7.6644  135.842 6.1905  2.101303       9.852184 
1 1 1 -12 10  29 o 60.938  4.5595  454.884    66.928   467.276    90.144   439.663    99.908   61.535  6.1185  59.500  7.0578  2.034634       9.340702 
1 1 1 -12 10  30 o 167.497 4.6441  3420.78    188.745  3353.67    266.643  3488.17    267.210  165.415 6.6434  168.729 6.5268  -3.314224      9.313107 
1 1 1 -12 10  31 o 220.112 5.3988  5924.42    288.341  5988.12    408.460  5861.15    407.093  220.427 7.6370  218.052 7.6943  2.375076       10.84092 
1 1 1 -12 10  32 o 242.151 5.7603  7187.92    338.452  7072.06    479.817  7302.65    477.477  238.884 8.2780  242.854 8.1029  -3.970215      11.58372 
1 1 1 -12 10  33 o 97.693  4.0954  1164.84    97.078   1014.48    136.195  1320.12    138.408  90.609  6.2327  103.605 5.5257  -12.99574      8.329451 
1 1 1 -12 10  34 o 117.990 4.1909  1700.93    119.982  1635.88    169.043  1766.96    170.325  115.115 6.0735  119.858 5.8566  -4.742920      8.437299 
1 1 1 -12 10  35 o 86.617  5.5345  926.215    115.711  889.692    143.101  995.198    196.667  84.432  7.0496  88.452  9.3029  -4.020531      11.67220 
1 1 1 -12 10  36 o 32.142  8.1844  134.247    64.000   149.266    74.934   93.752     123.047  33.823  8.9803  30.920  11.798  2.902819       14.82686 
1 1 1 -12 10  37 o 124.687 5.8559  1919.24    177.164  1891.78    224.782  1964.27    287.852  122.869 7.5767  124.007 9.6425  -1.138153      12.26309 
1 1 1 -12 10  38 o 69.748  4.4618  598.808    75.113   583.367    101.887  617.191    111.172  68.380  6.2084  70.226  6.6018  -1.845375      9.062514 
1 1 1 -12 10  39 o 111.546 4.4861  1526.61    121.418  1410.85    168.503  1651.64    175.109  106.370 6.5606  115.244 6.2859  -8.873848      9.085967 
1 1 1 -12 10  40 o 82.648  4.7866  842.823    95.579   890.352    132.536  791.320    137.966  84.359  6.5257  79.215  7.2587  5.143898       9.760780 
1 1 1 -12 10  41 o 117.975 6.7841  1744.55    193.380  1382.98    338.115  1920.32    235.744  99.615  14.407  123.078 7.9363  -23.46322      16.44845 
1 1 1 -12 10  42 o 37.394  14.382  160.568    183.745  160.568    183.745  0.0000     0.0000   37.394  14.382  ?       ?       0.000000       14.38151 
1 1 1 -12 10  43 o 36.321  14.314  143.872    185.639  143.872    185.639  0.0000     0.0000   36.321  14.314  ?       ?       0.000000       14.31450 
1 1 1 -12 10  44 o 76.176  4.7899  720.602    88.084   778.363    127.461  667.802    121.865  78.303  6.7754  72.367  7.0289  5.935890       9.762809 
1 1 1 -12 10  45 o 79.895  4.6495  792.634    89.744   888.951    131.037  707.545    123.164  83.732  6.5006  74.448  6.8964  9.284157       9.477298 
1 1 1 -12 10  46 o 51.347  5.3587  332.354    65.779   336.529    99.348   329.095    87.775   50.353  8.4294  50.256  7.4214  0.9682846E-01  11.23084 
1 1 1 -12 10  47 o 41.064  6.0485  216.422    58.462   225.692    90.868   209.875    76.366   40.568  9.4131  39.582  8.2200  0.9860115      12.49703 
1 1 1 -12 10  48 o 57.302  5.9858  417.537    81.997   300.255    110.760  559.766    121.973  46.556  10.096  65.438  7.8379  -18.88202      12.78115 
1 1 1 -12 10  49 o 45.299  6.4502  264.369    68.894   255.198    89.204   277.926    108.455  43.492  8.7561  44.700  10.222  -1.208485      13.45934 
1 1 1 -12 10  50 o 35.439  14.117  148.043    182.351  0.0000     0.0000   148.043    182.351  ?       ?       35.439  14.117  0.000000       14.11709 
1 1 1 -12 10  51 o 32.117  9.2035  140.847    75.411   147.851    80.644   92.075     212.804  32.823  9.5500  34.015  14.538  -1.192116      17.39421 
1 1 1 -12 10  52 o 14.266  6.6840  -52.0130   58.127   -48.0280   70.165   -60.7315   103.782  16.263  7.5258  19.851  9.1742  -3.587549      11.86608 
1 1 1 -12 11  1  o 227.408 5.2813  6283.15    291.413  6243.77    410.277  6323.23    413.987  226.531 7.4642  227.966 7.4843  -1.435287      10.57024 
1 1 1 -12 11  2  o 184.762 4.6285  4146.18    207.500  4203.00    291.818  4088.07    295.110  185.923 6.4687  183.353 6.6333  2.569977       9.265223 
1 1 1 -12 11  3  o 299.531 6.4324  10909.11   467.499  11153.72   659.324  10661.79   662.977  302.549 8.9813  295.765 9.2382  6.784424       12.88442 
1 1 1 -12 11  4  o 225.936 5.2548  6202.62    288.073  6176.29    405.735  6229.38    409.080  225.283 7.4225  226.246 7.4518  -0.9634247     10.51775 
1 1 1 -12 11  5  o 106.280 3.7719  1371.50    97.269   1360.03    136.493  1383.34    138.650  105.656 5.3415  106.557 5.3800  -0.9009628     7.581318 
1 1 1 -12 11  6  o 256.635 5.7108  8006.43    355.614  7938.07    501.267  8075.69    504.578  255.278 8.0927  257.484 8.0763  -2.205444      11.43322 
1 1 1 -12 11  7  o 176.003 4.4932  3763.14    191.884  3675.51    270.329  3852.12    272.414  173.822 6.4095  177.956 6.3089  -4.134537      8.993521 
1 1 1 -12 11  8  o 318.177 6.8314  12322.76   527.403  12612.31   744.828  12031.60   746.898  321.387 9.5513  313.846 9.8080  7.541107       13.69033 
1 1 1 -12 11  9  o 130.609 4.0181  2072.13    127.337  2091.58    179.720  2052.52    180.444  131.141 5.6480  129.906 5.7246  1.234650       8.041853 
1 1 1 -12 11  10 o 33.614  5.3949  140.851    42.514   132.283    59.214   149.965    61.076   32.298  7.6700  34.415  7.5239  -2.116009      10.74424 
1 1 1 -12 11  11 o 203.681 4.9043  5043.93    242.377  5102.53    342.022  4984.82    343.529  204.646 6.8879  202.258 6.9999  2.388321       9.820486 
1 1 1 -12 11  12 o 93.869  5.4591  1075.66    123.801  1083.10    154.716  1062.40    206.419  94.031  6.8277  92.741  9.2983  1.289803       11.53584 
1 1 1 -12 11  13 o 145.652 6.0141  2583.19    212.544  2728.15    277.865  2378.77    329.972  149.314 7.6957  139.006 9.8469  10.30836       12.49742 
1 1 1 -12 11  14 o 160.255 6.1908  3128.24    240.725  3205.71    319.643  3026.72    365.901  161.786 8.1690  156.896 9.6583  4.889709       12.64969 
1 1 1 -12 11  15 o 97.300  5.3886  1155.60    126.723  1171.47    161.681  1130.32    204.051  97.786  6.8576  95.726  8.8864  2.060661       11.22479 
1 1 1 -12 11  16 o 252.465 5.7311  7759.17    351.077  7953.68    496.824  7565.18    496.171  255.193 8.0236  248.843 8.2176  6.350922       11.48505 
1 1 1 -12 11  17 o 167.572 4.4319  3413.65    180.201  3529.97    254.898  3297.44    254.786  170.242 6.1707  164.517 6.3827  5.725281       8.877845 
1 1 1 -12 11  18 f 163.340 4.4844  3243.55    177.730  3198.16    248.973  3290.73    253.792  162.026 6.3329  164.351 6.3642  -2.324814      8.978227 
1 1 1 -12 11  19 o 238.568 5.6094  6927.55    324.708  6792.97    458.637  7062.80    459.780  235.838 8.0148  240.504 7.8789  -4.665344      11.23890 
1 1 1 -12 11  20 o 133.592 4.2868  2169.39    138.957  2069.20    194.066  2274.80    199.058  130.338 6.1364  136.671 6.0026  -6.333481      8.584081 
1 1 1 -12 11  21 o 139.113 5.4006  2355.27    182.294  1991.06    343.685  2497.85    215.035  126.753 11.293  143.191 6.1891  -16.43813      12.87782 
1 1 1 -12 11  22 o 55.020  8.2584  378.095    106.848  396.323    204.158  371.219    125.392  55.512  14.862  54.197  9.9000  1.314369       17.85732 
1 1 1 -12 11  23 o 160.896 6.5637  3156.54    256.246  3156.27    403.887  3156.72    331.509  159.942 10.465  160.398 8.5487  -0.4560699     13.51274 
1 1 1 -12 11  24 f 115.169 6.1941  1621.47    172.456  1803.93    291.323  1523.04    213.976  120.784 10.031  111.325 7.9743  9.458763       12.81458 
1 1 1 -12 11  25 o 63.449  4.5159  492.212    69.071   543.752    96.927   439.038    98.452   66.509  6.0732  59.568  6.9417  6.941242       9.223392 
1 1 1 -12 11  26 o 43.730  5.9505  237.454    61.499   269.454    89.010   208.223    85.071   46.221  8.2387  40.417  8.9142  5.804100       12.13833 
1 1 1 -12 11  27 f 28.964  9.5707  98.678     78.193   64.627     99.289   154.283    126.879  27.601  10.582  36.273  12.197  -8.671749      16.14732 
1 1 1 -12 11  28 o 53.008  4.9390  345.457    62.794   366.891    88.427   323.653    89.185   54.323  6.8617  50.855  7.4485  3.468861       10.12731 
1 1 1 -12 11  29 o 132.658 4.3291  2144.19    139.347  2120.52    198.157  2167.35    195.994  131.628 6.2044  133.098 6.0688  -1.470520      8.678987 
1 1 1 -12 11  30 o 106.413 4.1856  1380.23    108.073  1372.55    152.681  1387.93    152.996  105.698 5.9778  106.295 5.9560  -0.5969849     8.438498 
1 1 1 -12 11  31 o 86.604  4.2117  914.917    88.503   996.351    123.877  830.014    126.489  89.997  5.7022  81.954  6.4120  8.043419       8.580745 
1 1 1 -12 11  32 o 48.572  5.1281  292.006    59.524   281.536    82.155   303.576    86.362   47.179  7.4218  49.008  7.5012  -1.829773      10.55233 
1 1 1 -12 11  33 o 81.980  4.3537  823.764    86.291   841.918    121.128  805.056    122.962  82.481  6.0955  80.581  6.3401  1.900505       8.795018 
1 1 1 -12 11  34 o 51.633  4.8777  329.640    60.385   378.811    81.676   270.361    89.679   55.078  6.2205  45.848  8.3698  9.230488       10.42822 
1 1 1 -12 11  35 o 157.725 6.3783  3077.06    244.099  3055.41    316.176  3109.02    384.056  155.880 8.3903  155.945 10.206  -0.6558228E-01 13.21220 
1 1 1 -12 11  36 o 102.312 5.7066  1294.92    141.102  1302.69    175.228  1280.58    237.970  102.078 7.1193  99.818  9.9583  2.259315       12.24138 
1 1 1 -12 11  37 o 83.621  4.3083  858.944    87.118   803.142    121.440  918.111    125.047  80.290  6.2837  85.960  6.0335  -5.670380      8.711374 
1 1 1 -12 11  38 o 41.770  7.0514  223.026    68.923   141.973    93.864   317.859    101.530  33.202  10.446  49.479  8.7784  -16.27704      13.64465 
1 1 1 -12 11  39 o 45.030  6.6831  257.562    70.805   291.167    102.178  226.519    98.206   47.075  9.2755  41.237  9.9329  5.837563       13.59034 
1 1 1 -12 11  40 o 108.012 4.6321  1435.03    121.398  1512.01    170.174  1355.26    173.232  110.017 6.4026  103.891 6.9115  6.125427       9.421306 
1 1 1 -12 11  41 o 14.052  6.5315  -45.0275   53.729   -24.6436   203.878  -46.5489   55.698   30.497  13.595  14.306  6.6496  16.19158       15.13437 
1 1 1 -12 11  42 o 60.278  17.616  568.938    273.865  568.938    273.865  0.0000     0.0000   60.278  17.616  ?       ?       0.000000       17.61642 
1 1 1 -12 11  43 o 20.406  8.7689  3.5988     78.175   25.751     83.865   -143.2265  215.909  22.504  9.3417  27.458  12.870  -4.954126      15.90317 
1 1 1 -12 11  44 o 19.921  7.7272  35.176     53.397   164.051    89.134   -36.9649   66.689   34.680  10.026  16.450  7.5104  18.22987       12.52689 
1 1 1 -12 11  45 o 23.637  7.9423  69.182     53.803   144.586    89.021   25.787     67.533   32.645  10.157  20.626  8.4542  12.01916       13.21503 
1 1 1 -12 11  46 o 60.857  5.1677  465.027    75.587   539.667    114.479  407.336    100.645  64.475  7.4550  55.834  7.6287  8.641773       10.66649 
1 1 1 -12 11  47 o 54.443  6.1083  378.158    79.299   387.682    107.950  366.993    116.874  53.941  8.5316  51.834  9.6477  2.107010       12.87887 
1 1 1 -12 11  48 f 29.294  8.1457  115.124    59.998   190.458    73.177   -39.3803   104.798  37.629  8.2428  20.950  9.5069  16.67827       12.58271 
1 1 1 -12 11  49 o 34.624  14.046  131.160    184.059  0.0000     0.0000   131.160    184.059  ?       ?       34.624  14.046  0.000000       14.04613 
1 1 1 -12 11  50 o 37.645  14.188  194.190    176.580  0.0000     0.0000   194.190    176.580  ?       ?       37.645  14.188  0.000000       14.18831 
1 1 1 -12 11  51 o 19.495  7.7931  29.441     55.757   88.484     67.162   -101.5056  100.019  26.277  8.8735  17.933  8.5121  8.344027       12.29612 
1 1 1 -12 11  52 o 42.788  7.2533  242.228    72.616   222.845    90.944   276.324    120.618  39.906  9.5246  43.485  11.321  -3.579536      14.79461 
1 1 1 -12 12  1  o 308.780 6.6361  11597.57   497.193  11690.48   701.000  11503.51   705.293  309.620 9.3309  307.112 9.4647  2.508606       13.29087 
1 1 1 -12 12  2  o 166.132 4.3946  3352.33    177.147  3246.41    248.812  3461.21    252.273  163.387 6.2761  168.713 6.1625  -5.325943      8.795763 
1 1 1 -12 12  3  o 25.863  5.8870  84.581     36.114   127.917    50.680   39.871     51.477   31.825  6.7711  20.704  7.6885  11.12105       10.24499 
1 1 1 -12 12  4  f 130.111 3.9231  2055.87    123.853  2189.80    174.211  1919.00    176.113  134.225 5.3491  125.633 5.7773  8.592545       7.873341 
1 1 1 -12 12  5  o 146.981 4.1369  2623.96    147.537  2637.65    207.563  2609.97    209.751  147.281 5.8082  146.501 5.9006  0.7801666      8.279629 
1 1 1 -12 12  6  o 123.186 3.9609  1843.09    118.393  1847.53    166.311  1838.53    168.577  123.267 5.5604  122.962 5.6502  0.3050995      7.927361 
1 1 1 -12 12  7  o 178.794 4.5889  3884.53    199.078  3796.38    279.984  3974.67    283.121  176.608 6.5337  180.714 6.4568  -4.106323      9.185821 
1 1 1 -12 12  8  f 152.251 4.2081  2816.34    155.456  2735.62    218.995  2898.32    220.712  149.940 6.0194  154.344 5.8935  -4.403961      8.424140 
1 1 1 -12 12  9  o 45.566  4.2945  254.535    46.921   281.050    66.681   228.531    66.037   47.701  5.8861  42.832  6.5632  4.868481       8.816034 
1 1 1 -12 12  10 o 88.730  5.3495  961.175    114.635  995.564    146.698  907.244    183.712  90.145  6.7560  85.696  8.9679  4.448090       11.22797 
1 1 1 -12 12  11 o 98.635  5.4467  1187.38    129.851  991.328    163.587  1521.29    213.494  89.824  7.5764  111.351 7.9542  -21.52693      10.98504 
1 1 1 -12 12  12 o 73.008  5.5749  652.496    98.011   602.472    119.082  757.547    172.566  69.929  7.1173  78.136  9.2838  -8.206406      11.69807 
1 1 1 -12 12  13 o 226.029 10.236  6267.35    561.381  6267.35    561.381  0.0000     0.0000   226.029 10.236  ?       ?       0.000000       10.23598 
1 1 1 -12 12  14 o 146.123 4.7449  2596.62    168.232  2567.66    276.942  2613.56    211.786  144.786 7.9131  146.498 5.9580  -1.711792      9.905296 
1 1 1 -12 12  15 o 281.261 6.3135  9637.61    430.865  9909.47    609.451  9365.96    609.221  284.635 8.8244  276.654 9.0756  7.980652       12.65844 
1 1 1 -12 12  16 o 122.454 3.9612  1822.18    117.697  1876.19    166.705  1768.51    166.193  124.159 5.5336  120.533 5.6825  3.626053       7.931713 
1 1 1 -12 12  17 o 58.256  4.1450  414.550    58.209   412.787    82.872   416.266    81.778   57.917  5.9834  58.178  5.8735  -0.2612381     8.384449 
1 1 1 -12 12  18 o 161.311 4.5504  3163.83    178.105  3216.53    251.363  3110.69    252.399  162.479 6.3759  159.768 6.5108  2.710358       9.112744 
1 1 1 -12 12  19 o 94.157  4.2388  1077.66    96.841   938.359    133.233  1233.68    141.005  87.534  6.3153  100.492 5.8075  -12.95783      8.579670 
1 1 1 -12 12  20 o 78.729  5.7331  758.642    108.767  758.529    219.248  758.679    125.268  77.587  12.036  78.614  6.6290  -1.026932      13.74082 
1 1 1 -12 12  21 o 115.521 6.2202  1630.80    173.710  1506.93    285.853  1703.33    218.731  110.210 10.829  117.849 7.6914  -7.638924      13.28278 
1 1 1 -12 12  22 o 33.684  10.472  138.723    94.651   207.979    190.374  115.983    109.089  42.940  14.926  32.422  11.297  10.51859       18.71928 
1 1 1 -12 12  23 f 176.584 6.7851  3804.87    290.715  3992.53    453.122  3673.58    379.003  179.895 10.426  172.891 9.0661  7.003616       13.81619 
1 1 1 -12 12  24 o 178.471 4.7572  3876.12    206.006  3872.71    293.784  3879.43    288.948  178.109 6.7980  178.282 6.6796  -0.1735229     9.530417 
1 1 1 -12 12  25 o 169.587 4.7364  3500.80    194.897  3625.50    277.972  3380.23    273.338  172.302 6.6489  166.351 6.7719  5.950745       9.490302 
1 1 1 -12 12  26 o 121.010 4.6528  1783.01    136.616  1627.21    215.549  1887.62    176.622  114.975 7.7720  124.378 5.8524  -9.402611      9.729104 
1 1 1 -12 12  27 o 150.145 4.3926  2745.26    160.026  2695.83    227.235  2793.90    225.399  148.492 6.3068  151.199 6.1438  -2.706390      8.804675 
1 1 1 -12 12  28 o 165.330 4.6362  3332.37    185.986  3106.32    264.244  3554.30    261.822  159.170 6.8420  170.389 6.3329  -11.21953      9.322953 
1 1 1 -12 12  29 f 118.122 4.2105  1700.69    120.679  1645.64    171.156  1755.12    170.180  115.739 6.1164  119.737 5.8576  -3.998047      8.468841 
1 1 1 -12 12  30 o 95.423  4.1625  1110.55    96.378   1111.19    136.179  1109.91    136.419  95.013  5.9367  94.955  5.9510  0.5835724E-01  8.405899 
1 1 1 -12 12  31 o 95.163  4.1420  1105.28    95.642   1099.69    135.532  1110.83    134.986  94.445  5.9446  94.937  5.8889  -0.4927826     8.367649 
1 1 1 -12 12  32 f 110.863 4.2390  1501.68    114.029  1375.89    162.167  1624.70    160.371  105.470 6.3666  114.975 5.7485  -9.505173      8.577863 
1 1 1 -12 12  33 o 117.771 4.2891  1696.29    122.564  1711.61    173.776  1681.12    172.891  117.668 6.1075  116.603 6.1324  1.064537       8.654922 
1 1 1 -12 12  34 o 117.746 5.7004  1708.20    162.860  1561.74    205.261  1957.07    267.570  111.677 7.6204  124.374 8.9257  -12.69662      11.73625 
1 1 1 -12 12  35 o 60.794  5.7987  460.030    84.501   330.418    101.283  756.880    153.279  50.628  8.5493  77.232  8.3101  -26.60426      11.92257 
1 1 1 -12 12  36 o 71.502  5.8257  635.503    100.193  567.031    120.860  785.962    179.157  66.955  7.5724  78.051  9.6668  -11.09550      12.27965 
1 1 1 -12 12  37 o 79.742  4.9215  784.793    94.759   737.524    130.079  838.240    138.318  76.599  7.0788  81.713  7.0452  -5.113808      9.987163 
1 1 1 -12 12  38 o 158.196 4.9145  3079.91    188.643  2979.47    267.189  3179.75    266.377  154.386 7.1326  159.657 6.8762  -5.270798      9.907319 
1 1 1 -12 12  39 o 23.486  8.5263  59.673     62.736   6.7261     84.860   123.491    93.165   21.570  9.1987  31.336  10.451  -9.766233      13.92290 
1 1 1 -12 12  40 o 32.748  8.7249  141.854    70.576   -70.9759   216.137  167.255    74.669   29.880  13.595  35.520  8.7265  -5.640015      16.15483 
1 1 1 -12 12  41 o 47.966  17.209  337.084    254.616  337.084    254.616  0.0000     0.0000   47.966  17.209  ?       ?       0.000000       17.20876 
1 1 1 -12 12  42 o 39.496  9.8341  212.105    93.880   212.105    93.880   0.0000     0.0000   39.496  9.8341  ?       ?       0.000000       9.834067 
1 1 1 -12 12  43 o 31.634  7.8152  132.999    59.637   250.829    96.979   61.343     75.627   42.977  9.5480  24.423  9.2659  18.55420       13.30493 
1 1 1 -12 12  44 o 20.025  7.6388  38.527     51.575   -0.8043    87.058   59.795     64.018   21.036  9.1463  23.303  8.5896  -2.267006      12.54732 
1 1 1 -12 12  45 o 77.139  4.9816  743.735    92.743   818.300    134.444  676.038    128.103  79.812  7.0135  72.261  7.4111  7.551292       10.20361 
1 1 1 -12 12  46 o 50.118  6.4361  322.935    76.459   250.690    101.799  416.431    115.807  42.437  10.043  55.733  8.8603  -13.29560      13.39254 
1 1 1 -12 12  47 o 30.901  8.6393  129.329    67.298   98.428     87.048   175.241    106.106  28.161  10.066  35.368  11.103  -7.206886      14.98677 
1 1 1 -12 12  48 o 44.472  10.769  279.178    114.963  0.0000     0.0000   279.178    114.963  ?       ?       44.472  10.769  0.000000       10.76861 
1 1 1 -12 12  49 o 29.420  12.918  22.670     177.428  0.0000     0.0000   22.670     177.428  ?       ?       29.420  12.918  0.000000       12.91784 
1 1 1 -12 12  50 o 28.016  9.0286  103.933    69.791   134.251    75.546   -72.6374   182.313  31.331  9.2794  26.335  12.167  4.996346       15.30177 
1 1 1 -12 12  51 o 14.676  6.6332  -21.8838   50.423   -13.4359   58.554   -46.1229   99.184   16.486  7.3213  19.887  9.1097  -3.401312      11.68705 
1 1 1 -12 13  1  o 188.452 4.6261  4314.85    211.536  4285.27    297.259  4345.20    301.091  187.669 6.5280  188.974 6.5665  -1.304688      9.259199 
1 1 1 -12 13  2  o 145.160 4.1140  2559.40    144.904  2517.43    203.307  2602.73    206.581  143.880 5.8236  146.297 5.8196  -2.417587      8.232944 
1 1 1 -12 13  3  o 90.090  3.6248  985.595    79.236   951.124    110.870  1021.58    113.282  88.304  5.1974  91.535  5.1210  -3.230385      7.296402 
1 1 1 -12 13  4  o 54.514  3.9569  362.851    51.982   317.022    72.362   411.716    74.721   50.699  5.9986  57.945  5.3757  -7.246048      8.054926 
1 1 1 -12 13  5  o 150.357 4.1729  2746.48    152.237  2750.44    213.732  2742.40    216.895  150.366 5.8581  150.139 5.9538  0.2267303      8.352527 
1 1 1 -12 13  6  o 108.497 3.7605  1429.81    98.998   1519.62    139.377  1338.35    140.642  111.796 5.1381  104.751 5.5532  7.044716       7.565594 
1 1 1 -12 13  7  o 134.074 4.0209  2183.94    130.808  2263.95    184.173  2102.48    185.818  136.419 5.5640  131.447 5.8260  4.972107       8.056086 
1 1 1 -12 13  8  o 123.843 3.9219  1863.38    117.852  1927.19    165.802  1798.22    167.549  125.864 5.4291  121.564 5.6803  4.300079       7.857536 
1 1 1 -12 13  9  f 95.032  5.3389  1102.17    122.609  1055.84    157.064  1174.46    196.176  92.802  7.0273  97.704  8.3554  -4.902534      10.91769 
1 1 1 -12 13  10 o 98.614  5.4083  1186.91    128.915  1237.36    165.724  1109.60    205.149  100.519 6.8354  94.818  9.0259  5.701057       11.32202 
1 1 1 -12 13  11 o 68.918  5.6066  581.965    92.944   665.762    115.477  427.825    156.616  73.625  6.5319  57.986  11.537  15.63933       13.25801 
1 1 1 -12 13  12 o 153.648 6.1087  2875.69    227.740  2869.83    299.512  2883.71    350.644  153.049 8.0940  153.143 9.4830  -0.9358215E-01 12.46762 
1 1 1 -12 13  13 o 150.891 4.2691  2767.64    156.303  2799.92    219.866  2734.65    222.245  151.626 5.9761  149.835 6.1130  1.790848       8.548860 
1 1 1 -12 13  14 f 251.150 5.7498  7679.39    350.390  7708.03    495.089  7650.65    495.964  251.179 8.1234  250.233 8.1685  0.9463196      11.52013 
1 1 1 -12 13  15 o 112.025 3.8945  1524.96    105.860  1598.77    149.350  1450.45    150.069  114.620 5.3701  109.007 5.6936  5.613739       7.826521 
1 1 1 -12 13  16 o 222.289 5.2964  6012.60    285.666  6064.51    404.386  5960.88    403.600  222.918 7.4763  220.996 7.5267  1.921509       10.60878 
1 1 1 -12 13  17 o 107.097 4.0441  1393.95    105.089  1345.23    146.695  1445.31    150.620  104.955 5.7827  108.807 5.7252  -3.852051      8.137414 
1 1 1 -12 13  18 o 183.591 4.9492  4100.10    220.472  4298.25    311.684  3901.67    311.904  187.747 6.8419  178.829 7.1882  8.918015       9.923799 
1 1 1 -12 13  19 o 313.492 9.7263  12048.96   739.843  11737.21   1078.10  12326.46   1017.15  307.477 14.450  315.660 13.280  -8.182953      19.62595 
1 1 1 -12 13  20 o 153.153 6.3490  2858.87    235.934  2909.80    364.067  2822.00    309.790  153.717 9.8122  151.662 8.4519  2.055038       12.95049 
1 1 1 -12 13  21 o 148.273 6.5004  2680.76    233.867  2182.99    364.347  3029.55    304.988  132.634 11.433  157.217 8.0217  -24.58260      13.96645 
1 1 1 -12 13  22 o 126.794 6.2213  1960.04    191.400  1857.67    305.984  2025.85    245.320  122.481 10.394  128.474 7.9080  -5.993484      13.06041 
1 1 1 -12 13  23 o 68.927  4.5341  580.482    75.406   514.555    102.475  658.336    111.359  64.597  6.6320  73.194  6.3326  -8.596802      9.169831 
1 1 1 -12 13  24 o 177.905 4.7041  3852.58    203.062  3535.85    286.346  4172.99    288.007  170.104 6.9377  184.891 6.4198  -14.78679      9.452275 
1 1 1 -12 13  25 o 67.443  4.8737  556.888    79.218   443.195    118.223  649.536    106.721  59.519  8.4213  72.690  6.1074  -13.17136      10.40282 
1 1 1 -12 13  26 f 87.874  4.2150  940.069    89.873   1017.66    127.500  863.446    126.702  91.108  5.7976  83.812  6.2759  7.296249       8.543992 
1 1 1 -12 13  27 o 28.005  7.0826  99.934     48.159   137.753    63.841   49.994     73.361   32.814  8.0735  23.924  9.1141  8.889845       12.17572 
1 1 1 -12 13  28 o 151.714 5.0436  2811.18    185.665  2829.79    234.238  2779.71    304.521  151.919 6.3545  149.754 8.4147  2.165100       10.54449 
1 1 1 -12 13  29 o 44.818  5.3256  249.156    56.781   229.650    77.032   272.363    84.023   42.490  7.7575  46.371  7.7405  -3.880657      10.95877 
1 1 1 -12 13  30 o 11.131  5.3250  -55.9636   40.729   -121.5532  53.619   33.504     62.623   11.003  5.4418  21.193  8.3262  -10.19019      9.946755 
1 1 1 -12 13  31 o 88.915  5.3258  973.200    114.373  687.245    176.797  1179.00    149.985  73.152  10.241  97.607  6.3678  -24.45467      12.05960 
1 1 1 -12 13  32 o 158.221 4.6406  3065.77    178.157  3042.07    253.135  3089.02    250.786  156.837 6.6518  158.094 6.5377  -1.256607      9.326718 
1 1 1 -12 13  33 o 39.895  7.3012  203.775    68.072   134.489    78.789   407.770    135.193  32.266  9.4544  55.781  10.370  -23.51525      14.03310 
1 1 1 -12 13  34 o 54.208  6.2269  368.065    80.415   343.390    94.588   432.397    152.728  51.891  7.7500  56.949  11.450  -5.058155      13.82607 
1 1 1 -12 13  35 o 25.996  8.1965  84.406     57.762   87.077     65.620   75.213     121.727  26.669  8.7654  29.485  11.601  -2.816309      14.53988 
1 1 1 -12 13  36 o 17.773  7.6020  0.6734     58.272   59.185     79.670   -66.6374   85.450   24.951  9.4998  17.859  8.2786  7.092356       12.60081 
1 1 1 -12 13  37 o 64.653  5.2377  518.618    81.459   567.594    114.500  468.425    115.914  67.039  7.1493  60.492  8.1007  6.547329       10.80433 
1 1 1 -12 13  38 o 42.544  7.1756  232.392    71.438   265.092    100.273  198.689    101.801  44.708  9.5345  38.464  10.578  6.243683       14.24065 
1 1 1 -12 13  39 o 67.021  6.9055  568.364    110.690  682.029    267.577  544.896    121.581  67.739  16.445  65.229  7.8388  2.510605       18.21759 
1 1 1 -12 13  40 o 40.806  16.236  192.947    240.945  192.947    240.945  0.0000     0.0000   40.806  16.236  ?       ?       0.000000       16.23611 
1 1 1 -12 13  41 o 32.140  10.331  136.192    91.421   136.192    91.421   0.0000     0.0000   32.140  10.331  ?       ?       0.000000       10.33079 
1 1 1 -12 13  42 o 21.612  7.7747  52.302     52.004   -17.2458   89.350   87.931     63.952   20.458  9.0666  26.331  8.6533  -5.872129      12.53327 
1 1 1 -12 13  43 o 88.983  4.7496  984.744    102.177  957.029    147.510  1010.31    141.667  86.433  7.0963  89.135  6.5970  -2.702515      9.689059 
1 1 1 -12 13  44 o 50.712  5.8522  327.127    70.689   393.569    108.164  277.592    93.393   54.424  8.4660  45.382  8.7989  9.041550       12.21040 
1 1 1 -12 13  45 o 17.527  7.1571  18.093     48.172   -0.2733    84.823   26.836     58.526   20.723  9.0191  19.619  7.9339  1.104088       12.01217 
1 1 1 -12 13  46 o 21.686  8.6513  38.643     68.573   91.244     87.403   -45.5754   110.593  27.530  10.053  21.254  9.6913  6.276464       13.96384 
1 1 1 -12 13  47 o 13.831  6.4213  -40.4298   51.702   -15.6122   61.809   -98.2524   94.346   16.889  7.5101  17.412  8.2655  -0.5230522     11.16782 
1 1 1 -12 13  48 o 37.684  14.329  193.920    181.115  0.0000     0.0000   193.920    181.115  ?       ?       37.684  14.329  0.000000       14.32909 
1 1 1 -12 13  49 o 61.046  7.8177  490.033    113.138  490.033    113.138  0.0000     0.0000   61.046  7.8177  ?       ?       0.000000       7.817722 
1 1 1 -12 13  50 o 24.879  8.2293  79.744     57.805   107.691    69.789   18.671     103.166  28.328  9.0178  23.488  10.083  4.839800       13.52707 
1 1 1 -12 14  1  o 478.352 9.6132  27962.17   1115.79  27548.52   1575.40  28378.52   1580.53  473.032 13.726  480.187 13.565  -7.154541      19.29801 
1 1 1 -12 14  2  o 246.512 5.5254  7390.56    330.493  7526.28    465.376  7252.46    469.427  248.476 7.7189  243.881 7.9328  4.594543       11.06845 
1 1 1 -12 14  3  o 198.198 4.7470  4774.66    228.288  4860.18    321.365  4687.55    324.352  199.788 6.6293  196.187 6.8137  3.600311       9.506503 
1 1 1 -12 14  4  o 91.118  3.7024  1008.45    81.856   1041.29    115.307  975.081    116.222  92.394  5.1640  89.378  5.3843  3.016670       7.460416 
1 1 1 -12 14  5  o 228.154 5.2684  6331.10    291.657  6384.11    410.862  6277.25    414.087  228.829 7.3998  226.887 7.5217  1.941681       10.55147 
1 1 1 -12 14  6  o 220.228 5.1615  5898.92    275.812  6040.16    388.568  5755.49    391.565  222.586 7.1946  217.243 7.4284  5.343353       10.34131 
1 1 1 -12 14  7  o 249.701 8.0609  7613.19    488.389  7783.91    667.055  7415.93    717.023  251.814 10.917  245.480 12.038  6.333572       16.25118 
1 1 1 -12 14  8  o 310.203 9.4123  11781.34   708.440  11563.17   976.991  12023.24   1028.78  305.991 13.159  311.833 13.597  -5.841919      18.92167 
1 1 1 -12 14  9  o 167.277 6.2817  3409.12    254.963  3384.22    339.667  3441.25    385.884  166.172 8.4521  167.339 9.5433  -1.166977      12.74808 
1 1 1 -12 14  10 o 108.728 5.4827  1442.58    144.177  1460.79    184.620  1414.12    230.829  109.216 7.0036  107.128 8.9626  2.088394       11.37450 
1 1 1 -12 14  11 o 201.441 6.9847  4949.43    341.398  5039.41    460.997  4840.15    508.043  202.832 9.3669  198.244 10.600  4.587723       14.14577 
1 1 1 -12 14  12 o 231.534 5.4559  6524.81    306.511  6523.53    432.404  6526.11    434.548  231.140 7.7099  231.178 7.7469  -0.3854370E-01 10.92963 
1 1 1 -12 14  13 o 225.953 5.2955  6212.74    290.327  6183.17    409.666  6242.58    411.508  225.072 7.5014  226.152 7.4992  -1.079193      10.60704 
1 1 1 -12 14  14 o 99.335  3.8817  1199.07    93.559   1178.56    131.116  1220.33    133.541  98.246  5.5226  99.978  5.5263  -1.731018      7.812744 
1 1 1 -12 14  15 o 216.397 5.1996  5697.78    273.013  5645.75    385.502  5750.13    386.698  215.088 7.3866  217.075 7.3417  -1.986923      10.41457 
1 1 1 -12 14  16 o 108.218 4.0341  1423.33    105.929  1415.33    148.453  1431.64    151.197  107.669 5.7028  108.280 5.7757  -0.6113205     8.116628 
1 1 1 -12 14  17 o 87.638  4.0436  933.487    85.985   1049.71    121.165  815.583    122.040  92.711  5.4097  81.583  6.2118  11.12792       8.237189 
1 1 1 -12 14  18 o 128.393 6.0523  2008.27    188.550  1907.09    297.692  2076.06    243.654  124.294 9.9544  130.143 7.7510  -5.849693      12.61617 
1 1 1 -12 14  19 o 82.108  6.3322  826.567    125.180  992.787    208.714  733.181    156.442  89.447  9.7758  76.953  8.5215  12.49382       12.96849 
1 1 1 -12 14  20 o 164.645 6.5812  3306.20    262.917  3309.83    406.368  3303.59    344.811  163.807 10.276  164.035 8.6943  -0.2282104     13.46066 
1 1 1 -12 14  21 o 190.350 7.0227  4423.89    324.356  4335.37    493.966  4490.99    430.062  187.293 10.917  191.340 9.2632  -4.046432      14.31731 
1 1 1 -12 14  22 o 179.646 4.7604  3927.69    207.504  3821.27    290.968  4037.83    296.007  176.910 6.7784  181.866 6.7079  -4.955673      9.536392 
1 1 1 -12 14  23 o 105.302 4.2306  1348.93    108.095  1365.68    147.605  1329.56    158.739  105.674 5.7786  104.182 6.3093  1.491440       8.555616 
1 1 1 -12 14  24 o 104.734 4.6511  1335.70    118.198  1219.97    180.746  1422.17    156.234  99.520  7.5411  107.776 5.9981  -8.256058      9.635603 
1 1 1 -12 14  25 o 217.508 5.2400  5770.52    276.548  5839.51    391.890  5702.09    390.310  218.223 7.4011  215.622 7.4602  2.601303       10.50866 
1 1 1 -12 14  26 o 138.389 4.3801  2333.61    147.078  2247.18    208.160  2419.77    207.840  135.482 6.3322  140.635 6.0907  -5.153976      8.785996 
1 1 1 -12 14  27 o 103.822 4.1781  1313.74    105.253  1284.70    149.483  1342.28    148.225  102.237 6.0528  104.551 5.8666  -2.313805      8.429324 
1 1 1 -12 14  28 f 70.887  4.4468  615.675    76.099   507.773    106.413  728.618    108.870  63.860  6.9813  76.875  5.8812  -13.01527      9.128340 
1 1 1 -12 14  29 f 74.749  4.4061  684.786    79.562   616.702    110.861  757.097    114.250  70.480  6.5578  78.271  6.0631  -7.790947      8.931183 
1 1 1 -12 14  30 o 95.921  4.2147  1124.06    98.094   996.293    138.419  1252.97    139.034  89.682  6.4031  100.826 5.7065  -11.14399      8.576947 
1 1 1 -12 14  31 o 75.723  4.3478  703.674    79.550   691.556    112.001  716.010    113.008  74.616  6.2436  75.949  6.1861  -1.332268      8.789155 
1 1 1 -12 14  32 o 18.096  7.5632  9.3694     55.509   2.0999     63.637   32.498     113.509  18.692  7.9685  26.275  10.884  -7.582912      13.48953 
1 1 1 -12 14  33 o 54.679  6.3516  374.930    82.699   269.550    97.978   636.001    154.217  45.411  9.2071  70.337  9.2614  -24.92548      13.05928 
1 1 1 -12 14  34 o 50.444  6.4312  320.390    76.926   374.426    91.257   187.721    142.990  54.396  7.0820  38.299  12.947  16.09673       14.75777 
1 1 1 -12 14  35 o 60.016  5.0895  446.456    73.416   519.352    110.336  388.539    98.348   64.117  7.2177  55.249  7.5327  8.868057       10.43248 
1 1 1 -12 14  36 f 32.054  8.1093  134.428    63.119   295.349    89.657   -23.6937   88.874   47.856  8.0038  20.334  9.0254  27.52250       12.06314 
1 1 1 -12 14  37 o 46.769  6.6267  277.741    73.097   250.186    102.446  306.319    104.329  43.270  9.9635  48.244  9.2490  -4.974350      13.59472 
1 1 1 -12 14  38 o 42.429  10.227  242.754    104.053  439.157    240.494  197.519    115.416  54.241  16.665  38.219  11.504  16.02188       20.24962 
1 1 1 -12 14  39 o 50.427  16.824  381.777    241.398  381.777    241.398  0.0000     0.0000   50.427  16.824  ?       ?       0.000000       16.82362 
1 1 1 -12 14  40 o 45.061  16.957  287.949    252.023  287.949    252.023  0.0000     0.0000   45.061  16.957  ?       ?       0.000000       16.95691 
1 1 1 -12 14  41 o 89.410  4.7834  992.776    103.397  1071.84    151.084  923.125    141.806  91.835  6.8292  85.139  6.9244  6.695854       9.725480 
1 1 1 -12 14  42 o 52.204  5.8094  345.434    72.339   393.503    107.899  306.188    97.496   54.564  8.4207  47.872  8.7144  6.692066       12.11819 
1 1 1 -12 14  43 o 37.461  7.2079  184.814    63.139   190.155    99.947   181.267    81.449   36.843  10.606  36.366  9.2182  0.4770622      14.05247 
1 1 1 -12 14  44 o 58.097  5.3930  426.019    75.156   503.721    110.358  358.812    102.635  62.170  7.4650  51.843  8.4501  10.32652       11.27524 
1 1 1 -12 14  45 o 45.026  7.6053  267.808    80.130   148.414    104.002  442.213    125.698  32.942  11.043  57.040  9.4102  -24.09768      14.50829 
1 1 1 -12 14  46 o 20.575  8.3958  28.134     66.233   42.593     82.675   2.2277     110.663  23.300  9.4273  23.439  10.249  -0.1387348     13.92529 
1 1 1 -12 14  47 o 44.728  15.725  315.723    211.586  0.0000     0.0000   315.723    211.586  ?       ?       44.728  15.725  0.000000       15.72497 
1 1 1 -12 14  48 o 47.637  8.0879  302.420    90.143   263.116    101.618  447.560    195.274  43.469  9.8609  53.380  14.638  -9.911045      17.64956 
1 1 1 -12 14  49 o 27.514  8.4930  101.353    62.382   123.878    77.442   59.726     105.276  30.143  9.4890  26.131  10.615  4.012362       14.23799 
1 1 1 -12 15  1  o 173.738 4.5001  3668.73    189.705  3748.93    266.370  3586.18    270.237  175.478 6.2560  171.604 6.4901  3.874069       9.014424 
1 1 1 -12 15  2  o 267.251 5.9189  8693.10    383.815  8748.54    540.703  8636.79    544.916  267.681 8.3249  265.942 8.4446  1.739624       11.85810 
1 1 1 -12 15  3  o 226.689 5.1981  6250.36    285.918  6288.02    402.439  6211.97    406.289  227.089 7.3037  225.693 7.4191  1.395599       10.41090 
1 1 1 -12 15  4  o 141.850 4.0968  2445.16    141.005  2471.94    198.172  2417.70    200.673  142.513 5.7309  140.930 5.8684  1.583054       8.202564 
1 1 1 -12 15  5  o 217.280 5.1325  5742.96    270.593  5841.54    381.025  5642.67    384.349  218.857 7.1751  215.070 7.3652  3.787781       10.28240 
1 1 1 -12 15  6  o 229.242 7.6767  6415.20    427.004  6839.07    581.072  5917.59    629.593  236.152 10.141  218.918 11.897  17.23370       15.63275 
1 1 1 -12 15  7  o 96.245  5.3773  1130.81    125.072  1114.43    158.266  1158.05    204.112  95.353  6.8868  96.909  8.7756  -1.555763      11.15527 
1 1 1 -12 15  8  f 299.231 9.3815  10969.00   681.147  11675.27   938.121  10181.53   990.594  307.533 12.572  286.484 14.251  21.04828       19.00347 
1 1 1 -12 15  9  o 245.718 7.9365  7376.70    473.184  7332.73    645.055  7427.94    696.238  244.232 10.885  245.568 11.685  -1.335693      15.96932 
1 1 1 -12 15  10 o 187.133 5.4160  4262.34    245.918  4508.17    410.565  4124.80    307.103  191.940 8.8156  183.905 6.8822  8.034637       11.18388 
1 1 1 -12 15  11 o 91.263  4.2376  1012.48    93.838   1099.64    150.531  957.077    120.010  94.752  6.5884  88.489  5.6185  6.263695       8.658812 
1 1 1 -12 15  12 o 231.295 5.3921  6511.05    302.615  6600.81    427.412  6420.83    428.513  232.525 7.5755  229.309 7.7016  3.216049       10.80292 
1 1 1 -12 15  13 o 338.999 7.1633  14020.66   589.216  14178.04   832.492  13862.69   834.065  339.960 10.092  336.108 10.227  3.851898       14.36834 
1 1 1 -12 15  14 o 43.882  5.2792  237.686    55.082   250.229    76.375   224.090    79.516   44.717  7.2903  42.134  8.0717  2.582607       10.87660 
1 1 1 -12 15  15 o 259.229 5.8402  8183.68    367.349  8094.76    519.378  8272.69    519.643  257.316 8.3186  260.149 8.2322  -2.833221      11.70339 
1 1 1 -12 15  16 o 87.380  5.2725  932.596    111.263  660.102    220.627  1025.53    128.848  72.004  13.111  91.581  5.8287  -19.57693      14.34836 
1 1 1 -12 15  17 o 154.699 6.3965  2917.23    240.103  2794.02    374.213  3003.44    313.033  150.490 10.310  156.507 8.2725  -6.016495      13.21885 
1 1 1 -12 15  18 o 239.373 8.0166  7005.16    465.620  6790.58    691.660  7183.00    629.669  234.197 12.214  241.660 10.739  -7.462433      16.26330 
1 1 1 -12 15  19 o 170.959 6.5943  3565.11    273.542  3715.32    420.417  3454.83    360.216  173.631 10.022  167.697 8.8844  5.934448       13.39272 
1 1 1 -12 15  20 o 204.424 7.2422  5105.06    359.225  5273.96    544.871  4975.21    477.761  206.603 10.908  201.236 9.7846  5.367233       14.65320 
1 1 1 -12 15  21 o 219.124 5.3299  5848.72    283.380  5483.79    399.055  6219.96    402.486  211.699 7.7687  225.561 7.3540  -13.86217      10.69737 
1 1 1 -12 15  22 o 30.185  7.6761  115.826    56.349   84.423     71.475   167.394    91.593   27.125  9.1540  36.313  10.053  -9.187714      13.59615 
1 1 1 -12 15  23 o 74.321  4.8725  675.732    87.381   589.880    125.047  757.657    122.154  68.980  7.5971  78.480  6.4725  -9.499931      9.980465 
1 1 1 -12 15  24 o 217.932 5.1765  5792.73    273.729  5462.02    386.101  6126.93    388.130  210.992 7.5417  223.591 7.1542  -12.59904      10.39516 
1 1 1 -12 15  25 o 112.271 4.2304  1535.50    115.243  1496.61    160.077  1577.35    166.041  110.453 5.9954  113.389 6.0570  -2.935951      8.522446 
1 1 1 -12 15  26 o 51.835  4.9160  330.957    61.090   299.425    83.009   368.215    90.232   48.837  7.2230  54.305  7.0117  -5.467915      10.06652 
1 1 1 -12 15  27 o 9.8698  4.8136  -68.8670   37.516   -129.5397  47.254   34.586     61.704   9.6706  4.8352  21.214  8.2849  -11.54344      9.592696 
1 1 1 -12 15  28 o 56.345  4.6036  390.556    62.389   307.859    84.813   488.070    92.099   49.415  7.2927  62.728  6.1294  -13.31242      9.526451 
1 1 1 -12 15  29 o 28.406  7.2473  103.709    50.114   92.583     67.225   117.625    75.184   27.493  8.8611  30.503  9.3082  -3.009275      12.85150 
1 1 1 -12 15  30 o 17.935  7.0294  24.222     44.539   4.7544     58.707   50.624     68.367   18.212  7.7042  23.288  8.8160  -5.075689      11.70802 
1 1 1 -12 15  31 o 76.926  5.8233  733.674    107.889  695.148    130.749  815.878    190.987  74.398  7.3385  79.510  10.130  -5.112137      12.50852 
1 1 1 -12 15  32 o 58.941  6.1946  434.339    87.267   445.619    105.283  409.576    155.990  59.319  7.4812  55.145  11.999  4.173248       14.14028 
1 1 1 -12 15  33 o 55.675  6.3717  389.118    84.525   331.341    99.936   534.322    158.428  50.679  8.4226  63.710  10.623  -13.03043      13.55655 
1 1 1 -12 15  34 o 41.382  5.7699  215.550    56.359   144.184    74.796   309.296    85.725   33.149  9.0467  49.228  7.4063  -16.07882      11.69168 
1 1 1 -12 15  35 o 75.047  4.7990  695.495    86.930   774.195    121.638  613.336    124.281  78.664  6.4290  69.575  7.4793  9.088196       9.862619 
1 1 1 -12 15  36 o 48.818  6.1556  300.481    71.292   336.515    96.130   256.438    106.277  51.080  8.0204  43.733  10.202  7.346615       12.97739 
1 1 1 -12 15  37 o 17.335  7.5284  -5.5438    58.847   -9.0251    79.167   -1.2450    87.972   19.873  8.6796  21.392  9.2475  -1.519484      12.68269 
1 1 1 -12 15  38 o 54.781  15.770  448.719    220.942  448.719    220.942  0.0000     0.0000   54.781  15.770  ?       ?       0.000000       15.76958 
1 1 1 -12 15  39 o 60.380  15.351  547.186    225.404  547.186    225.404  0.0000     0.0000   60.380  15.351  ?       ?       0.000000       15.35124 
1 1 1 -12 15  40 o 26.174  7.8490  89.259     53.802   81.855     90.472   93.310     66.921   27.198  10.174  27.036  8.8502  0.1618252      13.48499 
1 1 1 -12 15  41 f 90.217  4.7504  1012.17    103.621  1080.23    148.996  948.409    144.205  92.110  6.7128  86.128  6.9598  5.982124       9.669588 
1 1 1 -12 15  42 f 63.512  5.1702  506.408    78.984   564.727    114.589  453.620    109.019  66.052  7.2701  58.834  7.8314  7.218323       10.68574 
1 1 1 -12 15  43 o 30.825  7.8585  127.795    58.955   236.864    93.015   54.558     76.220   41.443  9.4585  23.686  9.2197  17.75677       13.20860 
1 1 1 -12 15  44 o 70.547  5.5267  628.463    93.847   601.918    122.175  666.667    146.572  67.910  7.5420  70.695  8.7302  -2.785141      11.53681 
1 1 1 -12 15  45 o 46.292  7.2107  280.799    78.357   296.966    100.261  255.429    125.597  46.630  9.1882  41.854  11.838  4.776009       14.98534 
1 1 1 -12 15  46 o 75.376  8.5887  754.234    154.276  0.0000     0.0000   754.234    154.276  ?       ?       75.376  8.5887  0.000000       8.588722 
1 1 1 -12 15  47 o 37.877  16.021  162.242    253.801  0.0000     0.0000   162.242    253.801  ?       ?       37.877  16.021  0.000000       16.02072 
1 1 1 -12 15  48 o 43.026  6.8342  242.269    68.962   283.411    86.712   171.462    113.756  45.999  8.0631  34.773  11.546  11.22608       14.08304 
1 1 1 -12 15  49 o 18.556  7.7641  15.779     58.586   -13.3710   71.937   73.194     100.958  18.254  8.1103  26.587  10.531  -8.332731      13.29241 
1 1 1 -12 16  1  o 146.714 4.1711  2616.01    148.484  2728.73    208.029  2498.95    212.004  149.724 5.7262  143.250 6.0994  6.474472       8.366131 
1 1 1 -12 16  2  o 43.163  4.3963  228.816    45.400   182.482    63.456   277.406    64.982   38.073  7.1309  47.390  5.7704  -9.316250      9.173196 
1 1 1 -12 16  3  o 220.398 5.2819  5910.63    282.463  5360.35    378.144  6605.24    424.850  209.585 7.4359  232.636 7.5265  -23.05093      10.58022 
1 1 1 -12 16  4  o 89.345  5.3645  974.925    115.756  979.571    146.897  967.314    188.017  89.374  6.8255  88.483  8.8771  0.8912811      11.19774 
1 1 1 -12 16  5  o 28.449  7.9387  101.690    56.882   66.865     68.667   177.844    101.542  25.180  8.9470  37.568  10.651  -12.38803      13.90984 
1 1 1 -12 16  6  o 226.597 7.5597  6269.54    415.646  6455.11    564.792  6050.30    613.897  229.337 10.150  221.395 11.467  7.941391       15.31373 
1 1 1 -12 16  7  o 132.167 5.8136  2127.39    186.438  2329.75    242.880  1837.12    290.895  137.971 7.2808  121.985 9.9137  15.98574       12.30011 
1 1 1 -12 16  8  o 29.383  8.0517  108.831    59.107   52.377     70.898   237.489    107.030  23.998  9.0010  43.132  10.357  -19.13337      13.72205 
1 1 1 -12 16  9  o 183.048 4.6774  4075.02    207.747  3985.33    292.286  4166.59    295.335  180.794 6.6629  184.870 6.5839  -4.076385      9.367042 
1 1 1 -12 16  10 o 119.812 3.8959  1744.51    113.260  1929.17    158.990  1554.25    161.384  125.910 5.2041  112.812 5.9164  13.09822       7.879491 
1 1 1 -12 16  11 o 95.464  3.8072  1107.42    88.187   1130.75    124.316  1083.79    125.119  96.241  5.3446  94.198  5.4980  2.043228       7.667631 
1 1 1 -12 16  12 o 59.977  3.9809  439.110    57.604   435.484    81.673   442.699    81.257   59.532  5.7247  60.038  5.6442  -0.5057602     8.039206 
1 1 1 -12 16  13 o 67.337  4.1900  553.311    68.121   526.292    94.437   582.619    98.357   65.458  6.0131  68.909  5.9406  -3.451485      8.452665 
1 1 1 -12 16  14 o 254.850 5.7526  7909.31    355.721  7806.04    502.407  8013.11    503.727  252.692 8.1941  256.042 8.1081  -3.349930      11.52755 
1 1 1 -12 16  15 o 515.516 10.297  32638.76   1288.05  32501.14   1821.58  32776.39   1821.56  511.223 14.685  513.438 14.622  -2.214294      20.72292 
1 1 1 -12 16  16 o 321.630 9.7671  12692.69   762.233  13217.25   1110.64  12225.63   1048.00  326.267 14.029  313.927 13.758  12.34024       19.64987 
1 1 1 -12 16  17 o 172.330 6.6226  3622.37    276.921  3731.29    427.238  3543.47    363.653  173.985 10.165  169.861 8.8539  4.124420       13.47997 
1 1 1 -12 16  18 o 157.377 6.4494  3020.87    246.279  2981.57    385.945  3047.87    319.868  155.386 10.295  157.571 8.3965  -2.184708      13.28470 
1 1 1 -12 16  19 o 308.503 9.5440  11689.42   714.424  11990.04   1047.53  11427.99   976.862  310.319 13.912  303.307 13.274  7.011932       19.22847 
1 1 1 -12 16  20 o 81.391  4.2092  807.909    82.843   758.286    116.650  858.406    117.672  78.603  6.1656  83.709  5.8298  -5.105621      8.485405 
1 1 1 -12 16  21 o 125.011 4.2198  1901.34    127.999  1818.38    180.180  1985.86    181.867  122.067 6.0834  127.590 5.8745  -5.522850      8.456801 
1 1 1 -12 16  22 o 106.105 4.6584  1371.14    119.932  1244.01    183.907  1465.21    158.201  100.469 7.6002  109.388 5.9830  -8.919113      9.672642 
1 1 1 -12 16  23 o 156.986 4.5423  3002.43    173.023  2863.66    241.937  3147.70    247.542  152.977 6.5180  160.417 6.3596  -7.440308      9.106539 
1 1 1 -12 16  24 o 61.784  4.5939  467.930    68.376   431.241    90.992   515.523    103.635  58.990  6.4629  64.508  6.7198  -5.517971      9.323338 
1 1 1 -12 16  25 o 53.844  4.8897  356.861    63.187   337.835    82.771   383.436    97.822   52.039  6.7116  55.323  7.4791  -3.283775      10.04899 
1 1 1 -12 16  26 o 39.341  6.1358  194.324    56.659   200.763    73.783   185.069    88.453   39.618  7.9518  37.801  9.6197  1.816315       12.48083 
1 1 1 -12 16  27 o 42.751  5.5588  227.800    56.299   183.068    76.484   280.699    83.173   37.640  8.5670  47.077  7.5355  -9.437386      11.40957 
1 1 1 -12 16  28 o 100.144 4.2440  1225.50    103.125  1224.24    145.251  1226.78    146.438  99.552  6.0418  99.643  6.0860  -0.9037781E-01 8.575655 
1 1 1 -12 16  29 o 11.445  5.3934  -42.4278   38.807   46.103     51.515   -158.5879  59.009   21.164  7.7197  10.850  5.4216  10.31421       9.433286 
1 1 1 -12 16  30 o 86.593  5.7105  928.052    119.310  969.927    146.878  846.820    204.570  88.130  6.9243  80.726  10.708  7.404037       12.75187 
1 1 1 -12 16  31 o 81.598  5.8459  826.341    114.975  840.213    139.815  797.365    202.065  81.849  7.1107  78.009  10.979  3.840057       13.08071 
1 1 1 -12 16  32 o 133.155 6.1939  2197.24    200.117  2258.00    252.797  2095.26    327.510  133.951 7.8118  127.023 10.726  6.927299       13.26957 
1 1 1 -12 16  33 o 94.599  4.3113  1097.47    98.961   1092.88    138.124  1102.31    141.854  93.711  6.1079  94.061  6.2509  -0.3501129     8.739621 
1 1 1 -12 16  34 o 121.882 4.5222  1824.80    133.739  1753.70    188.833  1896.36    189.439  118.494 6.5939  123.359 6.3505  -4.865387      9.154681 
1 1 1 -12 16  35 f 52.333  5.9383  343.917    74.070   257.789    105.377  428.029    104.136  43.869  10.108  57.883  7.5981  -14.01397      12.64499 
1 1 1 -12 16  36 o 21.635  8.1963  44.943     59.120   -51.8280   84.937   135.887    82.341   18.362  8.4181  32.159  9.7251  -13.79637      12.86240 
1 1 1 -12 16  37 o 42.146  7.9744  232.424    78.563   39.343     199.613  267.815    85.461   32.396  13.967  45.280  8.0746  -12.88408      16.13317 
1 1 1 -12 16  38 o 38.946  15.002  188.206    200.189  188.206    200.189  0.0000     0.0000   38.946  15.002  ?       ?       0.000000       15.00222 
1 1 1 -12 16  39 o 37.565  9.7064  192.668    89.106   135.441    97.449   484.594    220.098  32.077  10.689  56.107  15.602  -24.03025      18.91167 
1 1 1 -12 16  40 o 20.235  7.7954  38.038     54.055   201.694    91.162   -50.7048   67.130   38.281  9.7790  15.782  7.3237  22.49886       12.21745 
1 1 1 -12 16  41 o 86.973  4.8069  943.183    101.047  1038.31    147.223  858.458    138.940  90.087  6.7850  81.685  7.0801  8.401909       9.806357 
1 1 1 -12 16  42 f 61.065  5.1686  469.171    75.864   405.898    111.186  524.288    103.774  55.075  8.6014  63.768  6.8122  -8.693317      10.97225 
1 1 1 -12 16  43 o 75.543  5.3863  719.136    98.084   575.897    128.653  917.957    151.572  65.950  8.2181  83.975  7.5184  -18.02547      11.13835 
1 1 1 -12 16  44 o 88.709  5.2838  989.239    113.216  843.656    149.909  1182.51    172.727  80.268  7.7953  95.356  7.5265  -15.08774      10.83582 
1 1 1 -12 16  45 o 67.016  9.2520  606.648    146.433  0.0000     0.0000   606.648    146.433  ?       ?       67.016  9.2520  0.000000       9.252011 
1 1 1 -12 16  46 o 39.636  16.457  206.032    260.337  0.0000     0.0000   206.032    260.337  ?       ?       39.636  16.457  0.000000       16.45678 
1 1 1 -12 16  47 o 47.347  9.2789  308.442    102.786  351.572    111.336  59.527     267.466  50.535  9.4265  34.603  15.488  15.93275       18.13093 
1 1 1 -12 16  48 o 33.096  8.6221  151.346    69.932   149.274    88.907   154.708    113.252  32.563  10.154  33.178  11.513  -0.6153603     15.35107 
1 1 1 -12 17  1  o 35.395  4.8126  155.174    40.261   135.563    55.287   177.316    58.746   32.704  7.1652  37.582  6.6873  -4.877777      9.801030 
1 1 1 -12 17  2  o 32.133  7.3277  131.033    55.866   108.489    66.457   185.342    103.148  29.541  8.6908  38.291  10.692  -8.750494      13.77869 
1 1 1 -12 17  3  o 182.409 6.6260  4056.99    293.267  4195.25    393.813  3884.86    439.406  185.145 8.7663  177.598 10.240  7.546402       13.47998 
1 1 1 -12 17  4  o 103.292 5.3599  1302.15    133.874  1097.90    171.499  1620.76    214.191  94.524  7.5402  114.933 7.7255  -20.40820      10.79525 
1 1 1 -12 17  5  o 199.527 6.9847  4857.22    338.153  5017.65    456.418  4662.00    503.478  202.356 9.2957  194.454 10.712  7.902237       14.18315 
1 1 1 -12 17  6  f 105.039 5.4467  1346.70    138.342  1406.88    177.663  1254.01    220.492  107.178 6.8678  100.785 9.1150  6.392975       11.41268 
1 1 1 -12 17  7  o 31.856  5.4912  127.035    40.912   217.876    58.635   40.854     57.112   41.882  5.9360  21.419  8.0698  20.46287       10.01790 
1 1 1 -12 17  8  o 173.200 4.5828  3648.13    192.594  3598.66    270.953  3698.65    273.806  171.815 6.4993  174.188 6.4783  -2.373199      9.176599 
1 1 1 -12 17  9  o 140.545 4.1798  2401.18    142.539  2451.37    200.473  2349.86    202.707  141.874 5.8236  138.887 6.0151  2.986221       8.372287 
1 1 1 -12 17  10 o 234.701 5.4382  6705.39    309.696  6869.60    436.377  6538.76    439.592  237.182 7.5826  231.350 7.8310  5.831940       10.90043 
1 1 1 -12 17  11 o 188.320 4.6926  4313.40    214.423  4311.39    302.127  4315.45    304.366  188.043 6.6217  188.125 6.6679  -0.8210754E-01 9.397195 
1 1 1 -12 17  12 o 256.195 5.8177  7994.07    361.646  8180.07    511.791  7808.58    511.099  258.674 8.1541  252.689 8.3360  5.985291       11.66094 
1 1 1 -12 17  13 o 273.466 6.0675  9111.89    402.606  9028.21    569.608  9195.44    569.134  271.609 8.6431  274.137 8.5563  -2.527802      12.16192 
1 1 1 -12 17  14 o 450.723 9.2622  24898.59   1012.95  25192.30   1432.21  24604.62   1432.85  451.104 13.085  445.699 13.249  5.405701       18.62141 
1 1 1 -12 17  15 o 116.335 6.1245  1653.99    172.272  1347.08    279.423  1842.18    218.805  103.991 11.253  122.597 7.3900  -18.60603      13.46298 
1 1 1 -12 17  16 o 179.038 6.8388  3911.89    297.090  3691.71    456.191  4074.03    391.489  172.807 10.936  182.350 8.8481  -9.542374      14.06732 
1 1 1 -12 17  17 o 117.784 6.0943  1695.82    173.574  1686.26    281.094  1701.71    220.671  116.709 10.023  117.714 7.7696  -1.005074      12.68218 
1 1 1 -12 17  18 o 251.451 6.5170  7716.46    397.617  7702.08    493.980  7742.90    670.091  250.808 8.1172  250.506 11.024  0.3020172      13.69026 
1 1 1 -12 17  19 o 101.629 4.1275  1256.27    101.782  1212.33    144.381  1299.68    143.506  99.516  6.0075  103.087 5.7603  -3.571266      8.322909 
1 1 1 -12 17  20 o 64.366  4.5206  506.782    70.155   493.128    98.512   520.832    99.932   63.206  6.5169  64.991  6.4210  -1.785019      9.148742 
1 1 1 -12 17  21 o 29.172  7.4757  108.258    53.158   -1.2037    76.571   210.096    73.856   20.431  8.7261  40.733  7.7560  -20.30142      11.67481 
1 1 1 -12 17  22 o 65.730  4.5745  528.965    72.503   542.904    99.446   513.149    105.930  66.337  6.2520  64.360  6.8903  1.976608       9.303924 
1 1 1 -12 17  23 o 68.968  4.4166  582.122    73.520   585.511    100.043  578.142    108.406  68.910  6.0443  68.362  6.6183  0.5478439      8.963019 
1 1 1 -12 17  24 o 123.716 4.2742  1866.30    128.305  1881.15    179.344  1850.73    183.633  123.912 5.9650  122.710 6.1874  1.202057       8.594492 
1 1 1 -12 17  25 o 135.035 4.3927  2225.77    143.926  2104.37    200.240  2355.53    207.011  130.878 6.3055  138.508 6.1596  -7.629654      8.814789 
1 1 1 -12 17  26 o 125.362 4.3994  1919.97    133.821  1874.50    185.146  1969.69    193.642  123.295 6.2087  126.511 6.3082  -3.216179      8.851094 
1 1 1 -12 17  27 o 91.839  4.2123  1030.67    93.867   974.796    131.921  1087.97    133.592  88.748  6.1644  93.858  5.8960  -5.109314      8.530124 
1 1 1 -12 17  28 o 51.075  5.0742  323.212    62.051   368.112    84.154   269.714    91.858   54.194  6.5312  45.709  8.5980  8.485508       10.79735 
1 1 1 -12 17  29 o 63.184  6.1482  497.826    93.064   548.740    111.958  383.986    167.410  66.081  7.0936  53.063  13.085  13.01776       14.88389 
1 1 1 -12 17  30 o 76.508  5.9630  727.818    109.823  833.044    133.319  505.660    193.714  81.597  6.7954  60.659  13.508  20.93818       15.12106 
1 1 1 -12 17  31 o 95.971  5.7824  1142.55    134.024  1106.22    163.868  1215.94    232.923  93.840  7.2532  96.938  10.049  -3.098373      12.39292 
1 1 1 -12 17  32 o 145.156 4.6012  2588.33    162.059  2437.93    228.319  2741.04    230.063  139.893 6.7264  148.527 6.3837  -8.634613      9.273435 
1 1 1 -12 17  33 o 151.297 4.8273  2817.29    177.214  2815.84    249.979  2818.76    251.262  150.170 6.8605  150.227 6.8931  -0.5770874E-01 9.725287 
1 1 1 -12 17  34 o 66.312  5.0704  545.508    80.965   725.129    115.585  372.467    113.449  76.075  6.3189  53.349  9.0901  22.72653       11.07061 
1 1 1 -12 17  35 o 74.541  4.8897  688.305    87.948   540.852    121.843  848.696    127.076  64.938  7.8953  82.218  6.4208  -17.28062      10.17659 
1 1 1 -12 17  36 o 80.302  6.4093  811.738    123.842  926.026    246.629  773.205    143.206  81.679  12.870  77.748  7.6920  3.930580       14.99375 
1 1 1 -12 17  37 o 32.662  13.533  83.992     175.547  83.992     175.547  0.0000     0.0000   32.662  13.533  ?       ?       0.000000       13.53338 
1 1 1 -12 17  38 o 62.067  7.6920  499.026    113.359  499.026    113.359  0.0000     0.0000   62.067  7.6920  ?       ?       0.000000       7.692000 
1 1 1 -12 17  39 o 27.024  7.8857  96.390     54.914   130.890    87.697   74.136     70.432   31.307  10.124  25.147  9.0478  6.160158       13.57784 
1 1 1 -12 17  40 o 48.230  5.8127  296.242    66.653   311.804    100.444  283.998    89.095   48.054  8.9436  46.148  8.2601  1.906277       12.17450 
1 1 1 -12 17  41 o 67.310  5.1482  569.458    83.444   647.075    123.562  504.382    113.140  70.571  7.3226  62.026  7.6818  8.544662       10.61276 
1 1 1 -12 17  42 o 94.639  4.7690  1118.70    109.161  1281.49    156.132  963.032    152.681  100.133 6.4606  86.085  7.3810  14.04882       9.809114 
1 1 1 -12 17  43 o 107.782 5.0813  1453.16    132.888  1387.83    179.161  1533.06    198.131  103.595 7.1717  108.520 7.5720  -4.925140      10.42918 
1 1 1 -12 17  44 o 34.595  11.179  168.550    106.938  118.238    226.742  182.943    121.272  35.240  15.033  35.836  11.923  -0.5961266     19.18678 
1 1 1 -12 17  45 o 48.497  17.864  411.987    276.849  0.0000     0.0000   411.987    276.849  ?       ?       48.497  17.864  0.000000       17.86448 
1 1 1 -12 17  46 o 25.327  10.108  60.309     93.661   60.309     93.661   0.0000     0.0000   25.327  10.108  ?       ?       0.000000       10.10849 
1 1 1 -12 17  47 o 25.813  9.0325  84.668     69.772   49.408     86.186   151.721    118.852  23.866  9.6363  33.030  11.767  -9.163975      15.20936 
1 1 1 -12 18  1  o 176.822 6.5323  3812.29    280.263  3910.21    374.376  3687.45    422.717  178.745 8.6320  173.014 10.113  5.730713       13.29634 
1 1 1 -12 18  2  o 18.918  7.4380  24.914     50.009   45.480     58.009   -34.6033   98.683   21.990  8.1626  21.436  9.5127  0.5542126      12.53471 
1 1 1 -12 18  3  o 138.046 5.8135  2321.19    194.728  2358.70    255.679  2269.37    300.489  138.753 7.6235  135.794 9.1736  2.959015       11.92779 
1 1 1 -12 18  4  o 228.527 7.5865  6378.72    420.672  6426.32    571.472  6322.42    621.512  228.733 10.297  226.591 11.304  2.142166       15.29087 
1 1 1 -12 18  5  o 156.129 4.8801  2965.56    184.876  2977.60    306.907  2958.71    231.613  155.852 8.1440  155.824 6.1258  0.2839661E-01  10.19074 
1 1 1 -12 18  6  o 117.158 3.9043  1668.20    110.989  1677.80    156.179  1658.41    157.757  117.394 5.4829  116.707 5.5709  0.6870499      7.816518 
1 1 1 -12 18  7  o 68.976  3.8204  579.951    63.691   613.744    89.132   544.694    91.044   70.823  5.2236  66.641  5.6849  4.182068       7.720404 
1 1 1 -12 18  8  o 176.290 4.5448  3779.45    194.404  3905.65    273.638  3650.84    276.239  179.012 6.2999  173.038 6.5793  5.973984       9.109090 
1 1 1 -12 18  9  o 222.819 5.2972  6042.99    286.391  6294.97    403.439  5787.02    406.615  227.081 7.3221  217.655 7.6993  9.425629       10.62505 
1 1 1 -12 18  10 o 182.939 4.6791  4070.60    207.699  4047.59    293.321  4093.74    294.142  182.185 6.6354  183.224 6.6162  -1.038452      9.370320 
1 1 1 -12 18  11 o 220.023 5.2415  5892.28    279.826  6118.02    395.806  5666.71    395.663  223.860 7.2869  215.391 7.5706  8.468475       10.50777 
1 1 1 -12 18  12 o 232.495 5.4262  6581.08    306.109  6759.25    433.260  6403.48    432.548  235.224 7.5911  228.908 7.7877  6.315445       10.87532 
1 1 1 -12 18  13 o 163.924 6.4841  3276.86    257.905  3360.00    399.212  3217.31    337.878  165.112 10.012  161.883 8.6331  3.229599       13.22000 
1 1 1 -12 18  14 o 113.370 6.1478  1571.30    168.484  1451.67    280.954  1638.48    210.542  108.066 10.862  115.556 7.5505  -7.490135      13.22838 
1 1 1 -12 18  15 o 186.086 6.8716  4227.03    310.267  4455.41    474.795  4056.81    409.893  190.043 10.335  181.599 9.3339  8.443726       13.92628 
1 1 1 -12 18  16 o 68.854  6.6608  583.956    109.889  382.308    211.292  658.721    128.658  54.487  15.334  73.054  7.3584  -18.56670      17.00844 
1 1 1 -12 18  17 o 33.807  6.7872  144.518    53.742   193.266    70.250   75.734     83.447   39.081  7.6821  27.193  9.8394  11.88815       12.48311 
1 1 1 -12 18  18 o 156.867 4.5339  2994.95    172.570  3018.87    244.258  2971.10    243.843  157.242 6.4020  155.987 6.4425  1.255234       9.082499 
1 1 1 -12 18  19 o 49.080  5.0220  296.524    58.964   304.834    81.436   287.367    85.486   49.446  6.9820  47.859  7.6168  1.587017       10.33272 
1 1 1 -12 18  20 o 71.536  4.7424  626.200    81.850   554.467    125.544  679.233    107.946  66.759  7.9038  74.327  6.0377  -7.567757      9.946036 
1 1 1 -12 18  21 o 84.891  4.1492  877.567    85.466   839.752    122.095  913.898    119.675  82.638  6.1329  86.296  5.7483  -3.657669      8.405680 
1 1 1 -12 18  22 f 94.598  4.1252  1090.27    94.686   1123.74    134.678  1057.55    133.148  95.664  5.8299  92.771  5.9463  2.892960       8.327443 
1 1 1 -12 18  23 o 87.390  4.2696  931.361    90.535   881.191    125.781  985.296    130.415  84.548  6.1739  89.455  6.0439  -4.907661      8.639772 
1 1 1 -12 18  24 o 42.738  5.6584  227.688    57.235   170.520    74.651   309.225    89.152   36.347  8.5988  49.464  7.6770  -13.11633      11.52718 
1 1 1 -12 18  25 o 112.665 4.2699  1550.39    116.727  1608.70    162.201  1487.75    168.112  114.279 5.8693  109.748 6.3400  4.531143       8.639745 
1 1 1 -12 18  26 o 134.490 4.4088  2212.17    143.872  2095.51    201.222  2334.17    205.786  130.329 6.3631  137.622 6.1626  -7.292465      8.858153 
1 1 1 -12 18  27 o 87.646  4.3345  940.070    92.179   872.305    126.339  1017.21    134.793  83.817  6.2572  90.573  6.1702  -6.755379      8.787745 
1 1 1 -12 18  28 o 113.192 5.8593  1585.49    160.374  1635.02    201.953  1500.92    263.872  114.331 7.3182  108.015 10.188  6.316422       12.54431 
1 1 1 -12 18  29 o 55.259  6.2413  382.820    82.217   435.629    98.363   260.382    149.773  58.747  7.0408  43.808  13.086  14.93911       14.86032 
1 1 1 -12 18  30 o 71.231  5.8025  631.470    99.416   583.652    120.007  736.076    177.496  67.928  7.4008  75.217  9.9712  -7.289200      12.41764 
1 1 1 -12 18  31 o 104.793 4.3087  1347.22    109.558  1271.37    153.464  1426.07    156.455  100.986 6.2943  107.083 6.0462  -6.097023      8.727819 
1 1 1 -12 18  32 o 68.716  4.9033  584.357    81.218   576.447    113.269  592.729    116.519  67.561  7.0117  68.478  7.1166  -0.9167786     9.990433 
1 1 1 -12 18  33 f 15.893  7.1321  -23.3248   57.113   -27.8197   82.083   -19.1066   79.517   19.206  8.5894  19.353  8.5662  -0.1468849     12.13082 
1 1 1 -12 18  34 o 33.437  7.7413  146.722    61.566   149.297    88.503   144.308    85.701   33.556  10.068  33.030  9.9065  0.5261192      14.12446 
1 1 1 -12 18  35 o 28.338  8.8240  103.812    67.173   133.345    176.224  98.792     72.659   35.392  13.947  27.979  9.2249  7.412783       16.72202 
1 1 1 -12 18  36 o 39.766  14.738  209.851    188.973  209.851    188.973  0.0000     0.0000   39.766  14.738  ?       ?       0.000000       14.73827 
1 1 1 -12 18  37 o 51.322  8.5507  348.500    102.734  348.500    102.734  0.0000     0.0000   51.322  8.5507  ?       ?       0.000000       8.550738 
1 1 1 -12 18  38 o 25.411  7.8638  83.859     53.442   127.374    85.319   55.762     68.558   30.908  9.9848  23.269  8.8237  7.639229       13.32495 
1 1 1 -12 18  39 o 64.031  5.1773  515.043    79.748   550.086    119.490  486.897    107.089  64.869  7.7446  61.200  7.3591  3.669010       10.68341 
1 1 1 -12 18  40 o 130.393 4.8381  2119.28    153.070  2175.22    216.559  2063.44    216.389  130.189 6.8799  126.596 7.0728  3.592926       9.866985 
1 1 1 -12 18  41 o 88.247  4.8676  974.688    103.824  1030.25    149.538  922.982    144.261  89.340  6.9531  84.423  7.1086  4.917000       9.943720 
1 1 1 -12 18  42 o 42.955  7.8937  246.887    79.242   221.586    103.548  282.645    123.101  39.373  10.602  44.052  11.422  -4.678394      15.58405 
1 1 1 -12 18  43 o 34.121  8.4185  158.958    69.269   118.688    84.549   241.167    120.804  29.762  9.9565  40.605  11.652  -10.84215      15.32685 
1 1 1 -12 18  44 o 45.359  17.589  346.599    276.603  0.0000     0.0000   346.599    276.603  ?       ?       45.359  17.589  0.000000       17.58912 
1 1 1 -12 18  45 o 28.695  10.306  105.211    91.338   105.211    91.338   0.0000     0.0000   28.695  10.306  ?       ?       0.000000       10.30576 
1 1 1 -12 18  46 o 17.488  7.7693  -13.2845   66.000   -22.0303   81.754   3.0816     111.837  18.972  8.5221  23.309  10.245  -4.336971      13.32582 
1 1 1 -12 19  1  o 155.664 6.0939  2952.79    230.167  2890.50    304.624  3035.67    351.370  153.524 8.2073  157.115 9.2578  -3.591614      12.37198 
1 1 1 -12 19  2  o 117.204 5.5655  1672.71    158.274  1648.95    204.218  1708.46    250.461  115.991 7.2933  117.801 8.8266  -1.809860      11.44995 
1 1 1 -12 19  3  o 207.840 4.9969  5256.31    251.995  5161.86    354.590  5352.67    358.185  205.654 7.1060  209.431 7.0486  -3.776627      10.00890 
1 1 1 -12 19  4  o 307.989 6.6209  11567.90   494.787  11463.82   697.453  11673.35   702.037  305.798 9.3997  308.589 9.3760  -2.790100      13.27644 
1 1 1 -12 19  5  o 194.748 4.7956  4613.81    226.610  4609.11    318.459  4618.62    322.530  194.390 6.7518  194.578 6.8315  -0.1880493     9.604949 
1 1 1 -12 19  6  o 123.753 3.9876  1861.51    119.738  1927.92    168.216  1793.29    170.477  125.834 5.5094  121.338 5.7903  4.495949       7.992596 
1 1 1 -12 19  7  o 222.275 5.2451  6013.55    282.884  5995.33    398.253  6032.10    401.890  221.580 7.4074  222.249 7.4525  -0.6696930     10.50758 
1 1 1 -12 19  8  o 95.798  3.9497  1115.47    91.809   1153.46    129.031  1076.52    130.659  97.178  5.4947  93.837  5.7665  3.340919       7.965203 
1 1 1 -12 19  9  o 339.276 7.2181  14052.66   594.211  13610.25   838.275  14499.47   842.422  332.785 10.381  343.600 10.104  -10.81522      14.48705 
1 1 1 -12 19  10 o 270.624 6.1563  8926.36    404.250  9583.23    570.196  8262.54    573.207  279.850 8.3972  259.660 9.0979  20.19067       12.38085 
1 1 1 -12 19  11 o 256.236 5.8988  7999.99    366.748  7911.22    517.331  8089.68    519.999  254.252 8.3857  257.117 8.3350  -2.865082      11.82339 
1 1 1 -12 19  12 o 182.129 6.7633  4047.72    298.885  4334.19    457.932  3835.11    394.500  187.536 10.101  176.606 9.2382  10.93015       13.68836 
1 1 1 -12 19  13 o 298.182 9.3006  10909.01   672.908  10983.35   983.363  10843.55   922.794  297.292 13.632  295.782 12.858  1.510376       18.73932 
1 1 1 -12 19  14 o 91.637  6.1579  1028.56    136.125  1034.07    242.300  1026.02    164.548  90.896  11.224  91.315  7.4926  -0.4184494     13.49544 
1 1 1 -12 19  15 o 207.095 7.3444  5243.24    369.053  5318.37    560.053  5185.57    490.646  207.251 11.178  205.329 9.8481  1.921539       14.89769 
1 1 1 -12 19  16 o 128.400 4.2567  2005.65    132.617  1987.64    187.205  2023.79    187.894  127.645 6.0443  128.804 6.0120  -1.159035      8.525143 
1 1 1 -12 19  17 o 221.378 5.3658  5973.62    288.226  5829.60    407.642  6117.60    407.583  218.153 7.7011  223.528 7.5148  -5.374802      10.76012 
1 1 1 -12 19  18 o 120.181 4.2801  1758.01    124.810  1749.37    175.788  1766.81    177.237  119.535 6.0809  120.128 6.1007  -0.5924225     8.613649 
1 1 1 -12 19  19 o 15.982  6.6635  6.3366     42.938   3.4491     57.865   9.8748     64.054   18.119  7.6559  19.509  8.1368  -1.390520      11.17230 
1 1 1 -12 19  20 o 12.987  5.9019  -24.6742   40.581   28.956     53.332   -98.4255   62.542   19.704  7.7004  13.309  6.4250  6.394169       10.02882 
1 1 1 -12 19  21 o 112.804 4.1997  1550.84    114.948  1602.44    163.368  1500.24    161.766  114.261 5.9128  110.516 6.0555  3.744698       8.463500 
1 1 1 -12 19  22 o 62.464  4.4223  478.451    66.593   481.313    93.257   475.472    95.124   62.325  6.2510  61.904  6.4266  0.4205589      8.965281 
1 1 1 -12 19  23 o 118.309 4.2395  1708.43    121.701  1642.15    171.223  1776.10    173.015  115.455 6.1340  120.283 5.9281  -4.828499      8.530441 
1 1 1 -12 19  24 o 186.440 4.9313  4256.31    223.084  4089.84    314.454  4424.98    316.533  181.848 7.1266  189.269 6.8925  -7.420731      9.914396 
1 1 1 -12 19  25 o 124.501 4.3887  1896.04    132.577  2063.76    184.856  1718.41    190.244  129.468 5.8845  117.711 6.6885  11.75729       8.908566 
1 1 1 -12 19  26 o 20.795  7.3280  47.696     45.972   124.065    60.708   -54.9742   70.389   30.937  8.0205  16.309  7.5436  14.62860       11.01068 
1 1 1 -12 19  27 o 25.926  8.6859  80.714     64.347   60.429     68.823   221.609    181.381  24.175  8.9068  41.704  14.565  -17.52899      17.07259 
1 1 1 -12 19  28 o 29.737  8.1532  114.858    60.587   143.242    70.857   37.678     116.842  33.069  8.7099  26.753  11.059  6.315763       14.07746 
1 1 1 -12 19  29 o 43.967  7.0584  246.911    72.753   269.396    84.578   182.935    142.663  45.698  7.9144  37.803  12.932  7.894806       15.16151 
1 1 1 -12 19  30 o 55.732  4.8065  384.903    64.362   452.015    88.620   309.987    93.630   60.045  6.1704  48.974  8.1670  11.07130       10.23587 
1 1 1 -12 19  31 o 60.206  5.4883  451.755    79.294   403.620    103.578  519.908    123.248  56.112  7.8202  63.659  8.1675  -7.547375      11.30770 
1 1 1 -12 19  32 o 22.491  7.9598  57.060     54.297   -16.2434   76.515   131.417    77.063   19.117  8.4353  31.647  9.3719  -12.52987      12.60899 
1 1 1 -12 19  33 o 53.961  5.6304  365.055    72.634   461.482    104.473  274.837    101.053  60.124  7.3119  45.399  9.4796  14.72457       11.97193 
1 1 1 -12 19  34 o 42.517  7.9681  236.744    79.181   -4.0805    214.443  274.761    85.202   31.637  14.032  45.894  7.9385  -14.25701      16.12212 
1 1 1 -12 19  35 o 90.936  14.261  1193.27    304.324  1193.27    304.324  0.0000     0.0000   90.936  14.261  ?       ?       0.000000       14.26130 
1 1 1 -12 19  36 o 69.205  7.4148  617.039    122.570  617.039    122.570  0.0000     0.0000   69.205  7.4148  ?       ?       0.000000       7.414751 
1 1 1 -12 19  37 f 35.986  7.0166  169.952    59.066   123.584    96.854   197.408    74.529   30.834  10.650  38.382  8.2484  -7.547796      13.47092 
1 1 1 -12 19  38 o 35.093  7.6776  164.531    63.557   367.093    97.807   16.475     83.619   52.760  7.8818  21.615  9.1720  31.14474       12.09330 
1 1 1 -12 19  39 o 32.201  7.3167  138.503    55.868   113.504    89.893   154.237    71.314   29.477  10.256  33.561  8.6892  -4.083792      13.44202 
1 1 1 -12 19  40 o 41.319  6.6517  222.988    64.425   278.082    99.031   182.561    84.830   44.828  9.4045  36.144  9.5350  8.684826       13.39258 
1 1 1 -12 19  41 o 82.816  5.2995  864.573    105.932  863.121    144.478  866.260    155.781  81.324  7.4028  80.976  8.0346  0.3483124      10.92507 
1 1 1 -12 19  42 o 59.624  5.9701  454.364    85.210   472.335    109.649  426.964    135.392  59.813  7.7364  55.021  10.525  4.792816       13.06246 
1 1 1 -12 19  43 o 58.258  17.842  606.742    275.940  0.0000     0.0000   606.742    275.940  ?       ?       58.258  17.842  0.000000       17.84234 
1 1 1 -12 19  44 o 29.536  10.484  114.168    94.262   81.627     99.787   383.859    287.270  27.217  10.562  46.466  17.951  -19.24856      20.82766 
1 1 1 -12 19  45 o 61.922  6.0168  491.947    89.260   476.770    113.559  516.484    144.389  59.724  8.0406  60.615  10.178  -0.8912773     12.97084 
1 1 1 -12 19  46 f 72.749  5.9966  680.274    104.909  543.807    139.990  855.096    158.445  62.417  9.5469  79.643  8.3220  -17.22639      12.66485 
1 1 1 -12 20  1  f 225.883 5.3127  6211.26    291.181  6368.49    409.227  6050.02    414.406  228.361 7.3855  222.520 7.6753  5.841309       10.65151 
1 1 1 -12 20  2  o 140.525 4.1412  2400.71    141.204  2294.32    197.401  2512.20    202.067  137.227 5.9285  143.608 5.7990  -6.381256      8.293112 
1 1 1 -12 20  3  o 91.635  3.7386  1020.46    83.125   976.491    115.761  1067.26    119.438  89.401  5.3612  93.486  5.2871  -4.085243      7.529691 
1 1 1 -12 20  4  f 248.377 5.7096  7513.94    344.098  7575.49    484.562  7451.33    488.719  248.915 8.0230  246.834 8.1600  2.081146       11.44349 
1 1 1 -12 20  5  o 216.050 5.0306  5680.36    263.719  5818.04    371.063  5539.84    374.876  218.339 7.0041  213.009 7.2531  5.329865       10.08292 
1 1 1 -12 20  6  o 150.787 4.3614  2764.84    159.572  2700.03    223.820  2831.85    227.563  148.833 6.1978  152.428 6.1528  -3.595078      8.733209 
1 1 1 -12 20  7  o 202.953 4.9471  5012.26    243.619  5017.37    343.022  5007.06    346.057  202.757 6.9724  202.536 7.0418  0.2203979      9.909626 
1 1 1 -12 20  8  o 351.940 7.3921  15129.33   631.246  15108.58   890.669  15150.26   894.777  350.507 10.473  350.975 10.507  -0.4675598     14.83478 
1 1 1 -12 20  9  o 147.736 4.2564  2654.00    152.578  2736.72    213.609  2567.82    218.013  149.866 5.8743  145.133 6.1909  4.733063       8.534292 
1 1 1 -12 20  10 o 249.379 8.2517  7611.10    499.308  7010.40    732.715  8131.89    682.240  237.583 12.757  256.922 10.944  -19.33939      16.80799 
1 1 1 -12 20  11 o 95.277  5.8257  1110.33    134.033  1270.26    219.682  1015.50    169.168  101.392 9.0238  90.807  7.7520  10.58546       11.89634 
1 1 1 -12 20  12 o 142.905 6.1514  2490.35    213.295  2375.79    329.218  2573.22    280.011  138.690 9.8471  144.791 8.0012  -6.101501      12.68797 
1 1 1 -12 20  13 o 185.409 6.8471  4198.30    308.035  4436.26    470.182  4019.36    407.720  189.548 10.261  180.672 9.3324  8.876236       13.87042 
1 1 1 -12 20  14 o 181.846 5.3394  4028.89    235.590  4209.16    295.245  3712.93    390.875  185.671 6.5535  173.581 9.3145  12.09015       11.38899 
1 1 1 -12 20  15 o 157.255 4.5017  3009.79    171.767  3012.43    243.138  3007.17    242.694  157.070 6.3796  156.934 6.3735  0.1361694      9.017837 
1 1 1 -12 20  16 o 181.887 4.8405  4029.73    213.626  3907.78    302.049  4151.78    302.176  178.731 6.9649  184.271 6.7583  -5.539719      9.704860 
1 1 1 -12 20  17 o 226.655 5.3902  6266.56    296.438  6228.45    418.943  6304.77    419.509  225.341 7.6621  226.730 7.6255  -1.388184      10.81005 
1 1 1 -12 20  18 o 50.746  5.0772  317.202    61.677   439.516    86.434   190.307    88.038   59.660  6.0547  38.494  9.4867  21.16588       11.25418 
1 1 1 -12 20  19 o 163.237 4.6789  3249.69    185.323  3324.71    262.610  3175.26    261.565  164.694 6.5716  160.918 6.6990  3.776321       9.384174 
1 1 1 -12 20  20 o 167.281 4.6841  3415.19    190.125  3416.07    270.975  3414.34    266.828  166.787 6.6958  166.775 6.5938  0.1200867E-01  9.397447 
1 1 1 -12 20  21 o 97.193  4.1695  1152.24    98.329   1106.29    139.096  1198.14    139.020  94.762  6.0816  98.691  5.8313  -3.929405      8.425561 
1 1 1 -12 20  22 f 33.934  6.3579  146.121    50.426   120.362    67.934   177.727    75.251   30.684  8.7159  37.090  8.5385  -6.405998      12.20131 
1 1 1 -12 20  23 o 136.015 4.3824  2261.54    144.631  2245.84    204.840  2277.13    204.238  135.015 6.2527  135.973 6.1904  -0.9578247     8.798753 
1 1 1 -12 20  24 o 92.459  4.3338  1045.75    97.226   1067.96    133.923  1021.00    141.377  92.909  5.9723  90.684  6.4676  2.225616       8.803241 
1 1 1 -12 20  25 o 84.857  4.3984  884.147    90.250   812.867    123.771  965.074    131.881  80.822  6.3628  88.157  6.2049  -7.334641      8.887434 
1 1 1 -12 20  26 o 72.378  6.1310  652.625    106.660  692.641    121.573  518.879    222.261  74.355  6.8143  60.692  15.142  13.66313       16.60495 
1 1 1 -12 20  27 o 41.027  7.5599  216.932    72.484   238.155    79.518   112.632    176.283  42.924  7.9269  35.003  13.900  7.920731       16.00153 
1 1 1 -12 20  28 o 16.222  7.2178  -18.7582   57.177   -20.8511   60.857   -3.0056    166.958  16.663  7.4280  28.867  12.606  -12.20365      14.63203 
1 1 1 -12 20  29 o 70.668  4.4961  615.977    76.694   613.276    108.860  618.639    108.067  69.898  6.4928  70.234  6.4121  -0.3358002     9.125281 
1 1 1 -12 20  30 f 141.018 4.6538  2447.01    159.237  2500.10    224.941  2393.68    225.449  141.567 6.5485  138.425 6.7123  3.142090       9.377517 
1 1 1 -12 20  31 o 21.370  7.9610  46.031     55.277   -11.8760   83.277   91.638     73.905   20.217  8.8641  27.400  9.3080  -7.182966      12.85345 
1 1 1 -12 20  32 o 46.976  6.0481  279.130    67.337   327.886    98.497   236.348    92.266   50.112  8.3977  42.076  9.2861  8.036133       12.52012 
1 1 1 -12 20  33 o 83.461  6.8234  881.978    136.971  904.698    273.373  874.363    158.271  78.908  14.822  82.455  8.0120  -3.547256      16.84915 
1 1 1 -12 20  34 o 81.254  14.948  973.226    283.843  973.226    283.843  0.0000     0.0000   81.254  14.948  ?       ?       0.000000       14.94779 
1 1 1 -12 20  35 o 50.445  9.0857  341.019    107.118  341.019    107.118  0.0000     0.0000   50.445  9.0857  ?       ?       0.000000       9.085651 
1 1 1 -12 20  36 o 18.969  7.4154  30.830     49.467   61.646     82.159   13.305     61.956   24.820  9.5968  18.962  7.9621  5.857618       12.46974 
1 1 1 -12 20  37 o 38.021  6.9893  189.934    62.103   212.623    99.856   175.622    79.306   38.848  10.391  35.745  9.1154  3.103180       13.82255 
1 1 1 -12 20  38 o 48.319  5.9714  299.290    68.521   442.659    102.460  183.294    92.162   58.116  7.4365  36.069  10.119  22.04734       12.55789 
1 1 1 -12 20  39 o 28.586  7.7947  110.349    55.554   114.260    88.649   107.819    71.289   29.396  10.187  28.345  9.1239  1.051144       13.67571 
1 1 1 -12 20  40 o 81.076  5.4489  831.202    106.569  858.974    144.564  798.146    157.716  81.043  7.4345  77.211  8.5627  3.831818       11.33976 
1 1 1 -12 20  41 o 25.092  8.9283  77.527     68.403   50.684     85.014   126.812    115.195  23.932  9.6028  31.206  11.519  -7.274055      14.99644 
1 1 1 -12 20  42 o 32.025  14.381  26.944     232.595  0.0000     0.0000   26.944     232.595  ?       ?       32.025  14.381  0.000000       14.38077 
1 1 1 -12 20  43 o 51.797  8.4754  362.415    102.834  385.738    113.351  253.944    244.449  53.053  9.1350  40.698  16.300  12.35580       18.68528 
1 1 1 -12 20  44 o 55.842  6.3953  403.846    85.090   382.250    108.154  438.930    137.850  52.939  8.7237  55.397  10.642  -2.458027      13.76085 
1 1 1 -12 20  45 o 68.568  5.8132  602.918    95.805   594.487    126.645  614.199    146.490  66.534  8.0054  66.545  9.3289  -0.1072693E-01 12.29290 
1 1 1 -12 21  1  o 275.273 6.0634  9234.99    404.989  9199.84    569.577  9270.94    575.959  274.132 8.5631  275.171 8.6263  -1.038849      12.15481 
1 1 1 -12 21  2  o 301.699 6.5026  11100.83   476.018  10931.44   670.208  11273.27   676.216  298.592 9.2505  303.245 9.1903  -4.653381      13.03969 
1 1 1 -12 21  3  o 119.700 3.9515  1741.67    114.768  1699.37    160.277  1786.18    164.415  118.122 5.5921  121.102 5.5953  -2.979202      7.910710 
1 1 1 -12 21  4  o 186.143 4.7354  4215.49    213.879  4083.17    300.452  4351.42    304.532  182.931 6.7690  188.864 6.6454  -5.933014      9.485770 
1 1 1 -12 21  5  o 60.037  4.2395  440.454    61.361   377.290    85.130   508.756    88.525   55.249  6.4730  64.373  5.7274  -9.123882      8.643124 
1 1 1 -12 21  6  o 106.211 4.0165  1371.42    103.509  1425.50    145.186  1315.51    147.612  108.043 5.5570  103.737 5.8887  4.306389       8.096714 
1 1 1 -12 21  7  o 171.149 6.0897  3570.77    252.890  3743.28    314.489  3255.11    425.417  175.035 7.4049  162.218 10.871  12.81677       13.15336 
1 1 1 -12 21  8  o 120.366 5.7997  1765.46    169.385  1754.59    263.729  1773.09    220.991  119.258 9.1846  120.199 7.6166  -0.9405518     11.93185 
1 1 1 -12 21  9  o 96.279  5.8131  1133.77    135.165  1081.06    219.439  1165.99    171.577  93.295  9.8423  97.417  7.3121  -4.122536      12.26124 
1 1 1 -12 21  10 o 61.993  6.5139  474.057    96.518   105.231    166.922  659.304    118.299  35.469  13.689  73.186  6.7374  -37.71688      15.25714 
1 1 1 -12 21  11 f 21.721  8.6659  29.256     68.812   16.715     133.414  33.802     80.320   27.859  11.690  23.419  9.3562  4.440264       14.97331 
1 1 1 -12 21  12 o 77.622  6.1301  739.578    114.517  769.702    195.231  723.777    141.396  78.339  10.538  76.521  7.7209  1.817886       13.06385 
1 1 1 -12 21  13 o 191.689 4.9005  4474.68    227.932  4592.44    321.998  4356.42    322.692  193.848 6.8458  188.760 7.0455  5.087952       9.823694 
1 1 1 -12 21  14 o 220.669 5.4489  5937.10    291.752  6134.31    411.882  5738.52    413.322  223.785 7.5854  216.366 7.8729  7.419449       10.93256 
1 1 1 -12 21  15 o 187.490 4.8718  4283.10    221.634  4420.32    314.509  4147.73    312.377  190.080 6.8192  184.086 6.9935  5.993958       9.767832 
1 1 1 -12 21  16 o 196.018 5.0368  4685.10    239.561  4507.86    338.273  4863.42    339.310  191.752 7.2705  199.242 7.0186  -7.489441      10.10549 
1 1 1 -12 21  17 o 80.046  4.3125  782.829    83.452   746.156    115.875  822.346    120.285  77.852  6.1851  81.768  6.1068  -3.915634      8.691891 
1 1 1 -12 21  18 f 127.556 4.3332  1983.34    134.113  1920.85    189.856  2045.57    189.474  125.211 6.2491  129.253 6.0415  -4.042587      8.691997 
1 1 1 -12 21  19 o 11.852  5.5676  -42.9493   40.780   -95.0641   53.082   32.110     63.704   11.812  5.7531  21.242  8.3811  -9.430154      10.16565 
1 1 1 -12 21  20 o 36.457  6.0349  167.339    51.517   180.807    73.218   154.134    72.500   37.485  8.2717  34.560  8.6625  2.925205       11.97747 
1 1 1 -12 21  21 o 98.813  4.1872  1192.23    100.393  1181.79    143.355  1202.27    140.638  97.855  6.0675  98.748  5.8965  -0.8936081     8.460743 
1 1 1 -12 21  22 o 129.227 4.3262  2041.70    135.653  1995.36    193.172  2086.77    190.540  127.220 6.2578  130.175 6.0324  -2.954750      8.691990 
1 1 1 -12 21  23 f 68.191  4.5074  571.831    74.159   555.100    105.011  588.477    104.744  66.679  6.5762  68.735  6.3522  -2.056274      9.143149 
1 1 1 -12 21  24 o 32.220  6.8371  133.563    51.797   142.676    69.787   122.386    77.290   33.070  8.6121  30.925  9.4378  2.145113       12.77657 
1 1 1 -12 21  25 o 76.909  6.1412  736.853    113.647  699.519    130.403  854.767    231.749  74.521  7.3058  79.954  12.343  -5.433105      14.34329 
1 1 1 -12 21  26 o 65.538  6.4270  538.503    100.888  610.428    114.027  279.239    216.491  69.673  6.8329  45.547  15.912  24.12634       17.31717 
1 1 1 -12 21  27 o 94.222  6.0756  1106.05    138.160  1061.91    161.739  1225.19    265.733  91.773  7.3243  95.999  11.647  -4.225639      13.75826 
1 1 1 -12 21  28 o 84.012  4.4265  869.449    89.914   822.913    122.509  923.786    132.380  81.107  6.2739  85.911  6.3964  -4.803841      8.959645 
1 1 1 -12 21  29 o 120.716 4.6075  1793.28    134.957  1928.87    191.889  1660.56    189.845  124.239 6.3870  115.008 6.8338  9.231033       9.353863 
1 1 1 -12 21  30 o 79.273  4.7308  777.195    90.582   848.044    129.792  709.918    126.477  82.113  6.5694  74.886  7.0434  7.227173       9.631506 
1 1 1 -12 21  31 o 21.014  7.9590  42.563     55.737   -56.4985   80.539   133.612    77.213   17.523  8.0928  31.776  9.3733  -14.25229      12.38350 
1 1 1 -12 21  32 o 64.012  7.5832  526.823    115.492  628.485    237.960  495.496    132.093  64.921  15.348  61.286  9.1643  3.634968       17.87601 
1 1 1 -12 21  33 o 33.327  9.1753  149.761    76.544   338.148    210.728  121.127    82.156   47.261  15.716  30.387  9.7960  16.87371       18.51928 
1 1 1 -12 21  34 o 81.095  6.9072  840.385    134.618  840.385    134.618  0.0000     0.0000   81.095  6.9072  ?       ?       0.000000       6.907219 
1 1 1 -12 21  35 o 56.685  5.5874  406.263    75.850   511.075    115.465  326.699    100.600  62.534  7.7778  49.364  8.7178  13.17030       11.68306 
1 1 1 -12 21  36 o 36.299  7.3907  175.092    62.882   290.346    98.447   95.664     81.726   46.136  9.1175  27.608  9.7660  18.52812       13.36057 
1 1 1 -12 21  37 o 50.474  5.9428  326.333    71.387   442.091    109.469  240.682    94.163   57.690  8.0388  41.572  9.5376  16.11800       12.47348 
1 1 1 -12 21  38 o 38.398  6.7267  193.854    60.388   186.993    94.945   198.515    78.257   36.221  10.309  37.997  8.6784  -1.776295      13.47571 
1 1 1 -12 21  39 o 77.260  5.5397  756.804    103.160  626.668    138.575  918.571    154.501  68.281  8.5516  83.532  7.7098  -15.25056      11.51399 
1 1 1 -12 21  40 o 27.802  8.8937  103.864    67.817   121.983    86.598   75.129     109.055  29.982  10.076  27.259  10.898  2.722210       14.84241 
1 1 1 -12 21  41 o 61.647  9.6448  524.447    139.539  0.0000     0.0000   524.447    139.539  ?       ?       61.647  9.6448  0.000000       9.644832 
1 1 1 -12 21  42 o 55.135  18.098  566.538    279.785  0.0000     0.0000   566.538    279.785  ?       ?       55.135  18.098  0.000000       18.09847 
1 1 1 -12 21  43 o 33.973  9.7137  163.652    84.094   169.808    89.417   116.520    247.409  34.479  10.063  35.004  15.315  -0.5257835     18.32501 
1 1 1 -12 21  44 o 41.622  7.9112  235.751    76.975   184.390    95.978   328.345    128.869  35.535  10.441  46.797  11.444  -11.26265      15.49171 
1 1 1 -12 22  1  o 63.350  3.9474  489.742    60.375   476.969    83.170   503.970    87.784   62.334  5.5573  64.067  5.7067  -1.733730      7.965513 
1 1 1 -12 22  2  f 266.700 5.9936  8669.38    387.860  8841.28    545.788  8494.00    551.287  268.743 8.3699  263.339 8.6278  5.404602       12.02059 
1 1 1 -12 22  3  o 183.625 4.7304  4102.60    210.760  4082.90    296.277  4122.78    299.877  182.921 6.6753  183.804 6.7239  -0.8835297     9.474743 
1 1 1 -12 22  4  o 116.549 3.9825  1651.40    112.623  1694.59    158.360  1607.21    160.203  117.949 5.5333  114.704 5.7746  3.244873       7.997738 
1 1 1 -12 22  5  o 236.919 5.5300  6837.46    317.900  6881.26    447.444  6792.82    451.744  237.209 7.7740  235.648 7.9007  1.560211       11.08401 
1 1 1 -12 22  6  o 80.340  5.8443  790.767    113.146  771.385    187.117  801.938    142.060  78.595  10.041  80.685  7.3365  -2.089622      12.43603 
1 1 1 -12 22  7  o 130.772 5.9386  2084.79    188.435  2028.67    293.197  2124.29    245.959  128.182 9.4944  131.561 7.7390  -3.379898      12.24896 
1 1 1 -12 22  8  o 154.164 6.2949  2899.45    235.469  2669.35    358.095  3074.74    312.542  146.948 10.105  158.252 8.1673  -11.30386      12.99260 
1 1 1 -12 22  9  o 35.044  8.8173  156.502    74.911   60.020     132.921  201.410    90.685   30.244  12.051  39.702  9.5337  -9.458027      15.36632 
1 1 1 -12 22  10 o 97.018  5.9390  1152.22    139.134  807.132    226.789  1360.50    176.186  79.856  12.082  105.293 6.9350  -25.43623      13.93080 
1 1 1 -12 22  11 o 187.897 4.7822  4298.70    218.030  4255.99    306.543  4342.42    310.170  186.626 6.7695  188.509 6.7812  -1.883118      9.581776 
1 1 1 -12 22  12 o 175.142 4.6623  3734.96    198.131  3706.05    279.205  3764.28    281.205  174.146 6.6076  175.510 6.6032  -1.363632      9.341468 
1 1 1 -12 22  13 o 140.911 4.3569  2417.10    148.964  2322.69    210.004  2512.72    211.337  137.882 6.2771  143.443 6.0720  -5.561829      8.733318 
1 1 1 -12 22  14 o 108.714 4.1235  1438.56    108.771  1409.53    152.991  1468.24    154.674  107.268 5.9007  109.496 5.8429  -2.227966      8.304135 
1 1 1 -12 22  15 o 132.840 4.2923  2149.30    138.350  2016.23    194.415  2285.81    196.921  128.382 6.2411  136.749 5.9347  -8.367676      8.612356 
1 1 1 -12 22  16 o 77.716  4.3315  738.300    81.354   753.657    114.150  722.447    115.977  78.244  6.0598  76.552  6.2997  1.692070       8.741146 
1 1 1 -12 22  17 o 76.649  4.3315  718.643    80.229   747.608    112.238  688.380    114.725  77.900  5.9837  74.649  6.3956  3.251236       8.758334 
1 1 1 -12 22  18 o 58.830  4.6442  425.238    65.755   364.300    91.298   490.916    94.782   53.929  7.1536  62.930  6.2917  -9.000690      9.526780 
1 1 1 -12 22  19 o 63.746  4.5292  498.929    69.599   533.828    96.967   461.844    99.957   65.628  6.1615  60.833  6.8937  4.794956       9.245911 
1 1 1 -12 22  20 o 21.259  7.4604  49.857     47.614   26.748     65.464   75.813     69.380   20.919  8.4151  25.861  9.0095  -4.942125      12.32822 
1 1 1 -12 22  21 o 43.411  5.5157  235.203    56.788   229.468    80.897   240.776    79.737   42.212  8.1938  43.349  7.8707  -1.137287      11.36156 
1 1 1 -12 22  22 o 113.030 4.2393  1563.33    116.266  1549.38    165.640  1576.88    163.236  111.847 6.1268  112.892 5.9805  -1.045052      8.561798 
1 1 1 -12 22  23 o 75.957  4.3663  709.237    80.134   664.817    114.427  751.990    112.258  72.939  6.5349  77.780  5.9944  -4.841347      8.867790 
1 1 1 -12 22  24 o 55.459  6.4128  386.584    84.704   356.082    101.271  457.615    154.543  52.626  8.1978  58.511  11.295  -5.884895      13.95601 
1 1 1 -12 22  25 f 97.742  6.0500  1189.09    142.779  1059.68    168.328  1521.00    269.570  91.556  7.6471  108.056 10.410  -16.50012      12.91718 
1 1 1 -12 22  26 o 49.428  7.3204  312.441    85.141   329.498    93.871   233.330    202.163  50.580  7.9077  42.374  15.318  8.205448       17.23831 
1 1 1 -12 22  27 o 48.379  5.4079  292.849    62.396   228.325    83.673   373.676    93.648   41.696  8.5572  54.104  7.3216  -12.40807      11.26193 
1 1 1 -12 22  28 o 20.053  8.0263  27.900     59.229   140.179    90.258   -57.0152   78.493   32.730  10.234  17.261  7.9779  15.46898       12.97659 
1 1 1 -12 22  29 o 56.283  5.8214  397.725    78.351   492.575    116.780  320.074    105.662  61.859  7.9654  49.195  9.1899  12.66455       12.16150 
1 1 1 -12 22  30 o 23.870  8.2941  67.155     58.781   112.196    85.333   26.485     81.087   29.787  10.002  22.330  9.2207  7.456388       13.60401 
1 1 1 -12 22  31 o 13.628  6.5683  -93.9779   64.709   31.740     186.496  -111.1845  68.995   31.032  13.439  13.672  6.6363  17.35977       14.98860 
1 1 1 -12 22  32 o 44.891  8.6072  268.334    90.342   1102.45    226.333  110.251    98.532   90.391  10.516  29.940  10.709  60.45066       15.00909 
1 1 1 -12 22  33 o 24.272  9.5665  53.436     82.916   53.436     82.916   0.0000     0.0000   24.272  9.5665  ?       ?       0.000000       9.566488 
1 1 1 -12 22  34 o 52.206  8.6723  364.820    106.001  364.820    106.001  0.0000     0.0000   52.206  8.6723  ?       ?       0.000000       8.672284 
1 1 1 -12 22  35 o 24.466  8.3028  75.298     58.803   117.840    93.810   47.763     75.471   29.998  10.475  23.019  9.1096  6.979275       13.88187 
1 1 1 -12 22  36 o 37.149  7.5652  184.858    65.875   279.252    103.640  120.870    85.330   44.639  9.8340  29.927  10.002  14.71278       14.02699 
1 1 1 -12 22  37 o 50.213  5.8248  323.243    69.649   313.739    105.352  330.622    92.831   47.499  9.4733  49.692  7.9684  -2.193096      12.37896 
1 1 1 -12 22  38 o 33.635  9.2227  158.262    77.521   48.278     100.843  317.155    121.208  24.917  10.285  46.781  10.883  -21.86390      14.97438 
1 1 1 -12 22  39 o 47.459  7.2466  297.753    80.802   214.728    104.731  419.849    127.006  38.445  10.788  54.743  9.9272  -16.29787      14.66023 
1 1 1 -12 22  40 o 63.380  9.2798  550.548    138.483  0.0000     0.0000   550.548    138.483  ?       ?       63.380  9.2798  0.000000       9.279796 
1 1 1 -12 22  41 f 38.570  16.111  207.122    251.658  0.0000     0.0000   207.122    251.658  ?       ?       38.570  16.111  0.000000       16.11088 
1 1 1 -12 22  42 f 21.430  8.8131  32.263     73.697   39.055     78.230   -21.2999   219.688  22.355  9.1236  29.468  13.520  -7.113018      16.31058 
1 1 1 -12 22  43 o 62.190  5.7536  496.655    85.837   485.893    110.553  512.992    136.206  60.206  7.7475  60.428  9.6115  -0.2217903     12.34521 
1 1 1 -12 23  1  o 130.353 4.1079  2066.14    129.928  2443.22    181.870  1673.09    185.681  141.644 5.2917  116.913 6.5721  24.73118       8.437749 
1 1 1 -12 23  2  o 137.604 4.1013  2302.44    136.936  2176.36    191.453  2434.50    195.938  133.620 5.9051  141.344 5.7132  -7.723648      8.216457 
1 1 1 -12 23  3  o 174.824 4.6489  3718.95    197.203  3759.70    276.987  3677.06    280.826  175.531 6.5034  173.565 6.6682  1.965500       9.314505 
1 1 1 -12 23  4  o 128.530 5.7655  2013.48    179.806  2172.07    278.262  1899.79    235.598  132.835 8.6811  124.364 7.8477  8.470207       11.70248 
1 1 1 -12 23  5  o 45.158  7.3118  255.503    77.378   309.658    143.222  233.181    91.953   49.062  12.105  42.794  9.1338  6.268192       15.16466 
1 1 1 -12 23  6  o 40.703  8.3004  210.236    79.198   442.867    132.284  80.265     98.877   59.319  9.5122  28.805  10.664  30.51333       14.28988 
1 1 1 -12 23  7  o 185.467 6.8539  4202.27    308.437  4003.09    461.889  4362.56    414.362  179.846 10.632  188.484 9.0603  -8.637283      13.96869 
1 1 1 -12 23  8  o 61.523  6.4998  467.241    95.560   270.509    161.556  573.112    118.516  46.134  13.544  68.075  7.2883  -21.94077      15.38055 
1 1 1 -12 23  9  o 296.577 9.2863  10818.17   668.260  10722.52   972.339  10903.79   919.960  292.941 13.680  295.936 12.812  -2.994385      18.74222 
1 1 1 -12 23  10 o 223.628 5.3596  6096.46    290.817  5977.16    409.331  6218.06    413.252  220.884 7.6374  225.313 7.5590  -4.429581      10.74564 
1 1 1 -12 23  11 o 192.480 4.9189  4514.16    229.732  4416.26    322.734  4614.72    327.090  189.963 7.0018  194.199 6.9415  -4.235870      9.859541 
1 1 1 -12 23  12 o 146.541 4.3874  2614.87    156.001  2559.93    218.854  2671.62    222.428  144.723 6.2324  147.852 6.2001  -3.129227      8.791090 
1 1 1 -12 23  13 o 65.424  4.2798  523.481    67.566   522.843    93.144   524.190    98.159   65.141  5.9591  65.170  6.2855  -0.2899170E-01 8.661320 
1 1 1 -12 23  14 o 168.882 4.6762  3477.67    191.620  3452.82    270.140  3502.84    271.850  167.851 6.6329  169.064 6.6270  -1.212967      9.376106 
1 1 1 -12 23  15 o 237.556 5.6494  6903.12    325.639  6790.73    459.735  7016.28    461.316  234.612 8.0759  238.528 7.9707  -3.915649      11.34690 
1 1 1 -12 23  16 o 42.972  5.3339  229.261    54.420   223.493    72.703   236.611    82.069   41.995  7.4056  43.074  8.1510  -1.079029      11.01278 
1 1 1 -12 23  17 o 33.569  6.5466  143.242    51.408   169.210    69.827   112.507    75.965   36.265  8.1357  30.075  9.3868  6.189865       12.42180 
1 1 1 -12 23  18 o 45.270  5.2854  254.483    56.964   188.957    77.242   332.613    84.344   38.238  8.5408  51.471  6.9295  -13.23346      10.99834 
1 1 1 -12 23  19 o 142.332 4.4894  2478.12    155.044  2492.17    219.088  2464.03    219.443  142.152 6.3519  141.330 6.3992  0.8219757      9.016429 
1 1 1 -12 23  20 o 43.010  5.6361  231.388    57.403   212.784    80.395   250.737    81.990   40.521  8.4503  44.212  7.9345  -3.690395      11.59155 
1 1 1 -12 23  21 o 38.267  5.9032  184.748    53.048   100.977    73.623   275.204    76.504   28.563  9.2795  46.584  6.9836  -18.02085      11.61379 
1 1 1 -12 23  22 o 23.907  7.1767  72.175     44.963   22.149     61.225   130.743    66.247   19.895  8.0899  31.656  8.4620  -11.76111      11.70692 
1 1 1 -12 23  23 o 59.518  6.3268  444.523    89.968   485.842    108.250  352.233    161.783  61.907  7.3501  50.447  13.100  11.46020       15.02154 
1 1 1 -12 23  24 o 34.145  8.1747  152.973    66.829   195.521    79.655   51.826     122.815  38.523  8.7242  27.960  11.424  10.56335       14.37405 
1 1 1 -12 23  25 o 58.568  6.6329  433.205    92.598   447.643    102.836  371.336    212.878  59.308  7.3002  50.667  15.697  8.641724       17.31166 
1 1 1 -12 23  26 o 51.836  6.0080  338.152    74.164   363.656    111.255  317.754    99.496   52.673  9.0300  49.317  8.6289  3.355667       12.49000 
1 1 1 -12 23  27 o 37.511  7.4263  183.026    65.201   168.985    98.077   194.145    87.280   35.528  10.585  38.080  9.4823  -2.552460      14.21087 
1 1 1 -12 23  28 o 34.097  8.0150  153.387    65.191   18.389     101.272  248.913    85.189   23.896  10.114  43.520  8.3714  -19.62373      13.12930 
1 1 1 -12 23  29 o 33.895  7.9915  151.994    64.654   71.566     97.259   215.677    86.544   27.008  10.442  40.128  9.0982  -13.12015      13.84958 
1 1 1 -12 23  30 o 11.542  5.7417  -152.9058  63.100   -259.9450  182.381  -138.3507  67.254   22.148  10.759  12.561  6.1906  9.586048       12.41291 
1 1 1 -12 23  31 o 18.868  7.9073  13.091     60.916   252.392    219.604  -6.8573    63.404   42.187  15.838  17.764  7.7628  24.42296       17.63799 
1 1 1 -12 23  32 o 31.964  10.068  138.281    87.176   138.281    87.176   0.0000     0.0000   31.964  10.068  ?       ?       0.000000       10.06850 
1 1 1 -12 23  33 f 68.114  7.3588  602.559    119.688  602.559    119.688  0.0000     0.0000   68.114  7.3588  ?       ?       0.000000       7.358769 
1 1 1 -12 23  34 o 69.927  5.2007  615.643    87.611   590.747    128.826  637.064    119.500  66.802  8.1144  70.049  7.1302  -3.246696      10.80199 
1 1 1 -12 23  35 o 67.645  5.3241  578.649    86.681   735.022    129.335  451.136    116.792  75.091  7.1863  57.838  8.5825  17.25287       11.19384 
1 1 1 -12 23  36 o 70.312  5.2894  625.637    89.579   788.988    133.098  490.372    121.117  77.742  7.1355  60.261  8.5209  17.48069       11.11403 
1 1 1 -12 23  37 o 11.373  5.5890  -103.3897  53.544   -136.7408  77.337   -72.6834   74.207   13.874  6.7975  15.635  7.3950  -1.760571      10.04452 
1 1 1 -12 23  38 o 59.304  6.0702  452.401    86.117   493.642    119.901  408.457    123.766  60.490  8.3954  53.980  9.8108  6.510197       12.91256 
1 1 1 -12 23  39 o 48.454  10.014  332.125    113.836  301.030    252.397  340.065    127.545  42.412  16.699  48.264  11.120  -5.852291      20.06240 
1 1 1 -12 23  40 o 41.622  16.784  285.066    261.104  0.0000     0.0000   285.066    261.104  ?       ?       41.622  16.784  0.000000       16.78396 
1 1 1 -12 23  41 o 23.459  9.4739  48.624     83.328   41.217     88.588   105.496    245.479  23.361  9.6414  34.336  15.132  -10.97456      17.94215 
1 1 1 -12 23  42 o 27.656  8.5097  105.247    62.684   32.365     80.953   214.381    99.061   21.988  9.1569  38.189  10.407  -16.20193      13.86170 
1 1 1 -12 24  1  o 202.461 5.0356  4990.96    247.376  4810.73    346.913  5177.40    352.848  198.397 7.2064  205.849 7.0644  -7.451614      10.09151 
1 1 1 -12 24  2  o 88.692  5.6276  962.504    120.480  805.643    192.755  1063.08    154.345  80.293  10.119  93.040  6.8857  -12.74729      12.23920 
1 1 1 -12 24  3  o 246.135 7.9856  7418.70    476.922  7597.08    697.904  7262.42    653.248  247.801 11.607  242.482 11.103  5.319412       16.06242 
1 1 1 -12 24  4  o 114.491 5.7625  1602.18    159.571  1543.12    248.730  1643.49    208.022  111.697 9.2611  115.676 7.4510  -3.979935      11.88634 
1 1 1 -12 24  5  o 54.801  6.4472  371.620    84.089   171.253    146.752  469.563    102.603  38.471  13.116  61.596  6.9888  -23.12497      14.86186 
1 1 1 -12 24  6  o 89.327  5.8123  977.265    125.292  837.170    201.671  1065.33    159.893  81.750  10.403  93.067  7.1349  -11.31673      12.61427 
1 1 1 -12 24  7  o 115.923 5.7954  1639.31    163.011  1713.56    256.532  1589.02    211.113  117.724 9.0500  113.640 7.7018  4.084091       11.88362 
1 1 1 -12 24  8  o 230.990 5.5338  6507.16    310.156  6375.13    436.868  6641.33    440.407  228.018 7.8962  232.761 7.7979  -4.742447      11.09763 
1 1 1 -12 24  9  f 144.757 4.3198  2550.78    151.727  2624.96    213.282  2474.77    215.890  146.619 5.9952  142.322 6.2517  4.296326       8.661709 
1 1 1 -12 24  10 o 58.203  4.4805  414.986    62.789   391.193    87.124   440.697    90.569   56.189  6.5111  59.710  6.3487  -3.521439      9.093911 
1 1 1 -12 24  11 o 31.634  6.4975  126.883    48.203   89.377     64.618   173.942    72.380   27.196  8.6794  36.891  8.2883  -9.694517      12.00114 
1 1 1 -12 24  12 o 85.897  4.1216  898.592    85.903   928.035    119.936  867.577    123.096  86.955  5.7163  83.998  6.0807  2.957275       8.345749 
1 1 1 -12 24  13 o 82.229  4.1046  823.820    81.895   828.216    114.309  819.183    117.388  82.081  5.7763  81.593  5.9708  0.4877777      8.307611 
1 1 1 -12 24  14 o 140.988 4.3740  2424.54    149.632  2502.72    210.556  2344.78    212.684  142.888 6.0730  138.242 6.3406  4.646164       8.779809 
1 1 1 -12 24  15 o 86.817  4.0695  919.190    85.727   824.465    119.484  1019.68    123.067  81.747  6.0671  91.064  5.5968  -9.316353      8.254354 
1 1 1 -12 24  16 o 119.903 4.2196  1755.14    122.761  1690.18    172.532  1821.77    174.710  117.116 6.0924  121.793 5.9120  -4.676796      8.489370 
1 1 1 -12 24  17 o 240.390 5.7634  7102.42    336.169  7024.29    474.082  7181.45    476.760  237.480 8.2274  240.156 8.1817  -2.676453      11.60300 
1 1 1 -12 24  18 o 126.261 4.2618  1949.45    130.566  1915.68    183.182  1984.31    186.150  124.663 6.0559  126.880 6.0465  -2.216545      8.557744 
1 1 1 -12 24  19 o 113.207 4.2598  1568.46    117.012  1566.98    163.603  1570.01    167.422  112.517 6.0143  112.574 6.1526  -0.5720520E-01 8.603853 
1 1 1 -12 24  20 o 139.883 4.4522  2398.84    151.114  2391.27    212.201  2406.62    215.247  138.943 6.2943  139.355 6.3658  -0.4127045     8.952152 
1 1 1 -12 24  21 o 78.283  5.9058  762.425    111.353  741.219    136.067  805.428    193.762  76.639  7.4096  78.504  10.430  -1.865059      12.79425 
1 1 1 -12 24  22 o 80.669  5.9890  811.118    116.390  906.083    142.651  622.004    201.305  84.887  6.9878  67.454  12.767  17.43314       14.55417 
1 1 1 -12 24  23 o 118.900 6.1369  1761.78    176.445  1884.75    222.247  1552.12    290.194  122.182 7.5334  108.305 11.205  13.87713       13.50179 
1 1 1 -12 24  24 o 44.700  7.0637  256.115    74.067   234.279    86.135   318.074    145.096  42.174  8.7058  47.863  12.395  -5.688843      15.14707 
1 1 1 -12 24  25 o 41.094  6.8679  216.820    66.064   272.769    93.585   161.246    93.272   45.518  8.7917  34.775  10.313  10.74331       13.55212 
1 1 1 -12 24  26 o 38.937  7.4039  197.028    67.394   180.289    100.446  210.732    90.887   36.547  10.665  39.619  9.5635  -3.071598      14.32513 
1 1 1 -12 24  27 f 15.366  6.8972  -21.5379   53.443   -62.3244   84.316   5.8519     69.095   17.754  8.2279  19.493  8.3064  -1.738474      11.69160 
1 1 1 -12 24  28 o 66.592  5.2808  553.734    84.627   552.062    121.126  555.330    118.287  65.431  7.7821  65.737  7.5531  -0.3064346     10.84479 
1 1 1 -12 24  29 o 35.193  9.6837  168.415    85.290   -39.1624   222.641  204.117    92.334   30.660  13.890  38.649  9.8247  -7.988962      17.01384 
1 1 1 -12 24  30 o 17.881  7.3597  16.488     51.444   -338.4857  209.114  39.355     53.075   22.622  11.102  20.275  7.7456  2.346308       13.53711 
1 1 1 -12 24  31 o 67.678  7.3519  593.330    118.786  593.330    118.786  0.0000     0.0000   67.678  7.3519  ?       ?       0.000000       7.351897 
1 1 1 -12 24  32 o 39.810  9.7794  220.913    93.783   220.913    93.783   0.0000     0.0000   39.810  9.7794  ?       ?       0.000000       9.779428 
1 1 1 -12 24  33 o 67.730  5.2449  578.650    85.523   814.461    126.228  378.545    116.280  79.579  6.5967  52.431  9.4895  27.14845       11.55710 
1 1 1 -12 24  34 o 72.437  5.0547  661.083    88.285   694.838    128.775  631.148    121.270  72.782  7.3947  69.397  7.3120  3.384834       10.39937 
1 1 1 -12 24  35 f 59.929  5.5126  457.480    79.261   515.728    118.585  410.446    106.560  62.069  8.0644  55.201  8.2054  6.868584       11.50495 
1 1 1 -12 24  36 o 52.881  6.3575  362.949    79.939   279.088    115.417  440.269    110.824  43.620  10.928  57.130  8.2324  -13.51006      13.68168 
1 1 1 -12 24  37 o 70.929  5.3750  638.721    91.817   659.128    127.068  616.424    132.822  70.596  7.5345  67.705  8.2560  2.890594       11.17728 
1 1 1 -12 24  38 o 18.463  7.8115  12.222     60.365   -35.4168   87.035   56.379     83.794   18.881  8.6047  24.121  9.5820  -5.240297      12.87849 
1 1 1 -12 24  39 f 22.460  10.998  -278.1386  201.654  0.0000     0.0000   -278.1386  201.654  ?       ?       22.460  10.998  0.000000       10.99791 
1 1 1 -12 24  40 o 30.492  10.905  127.305    102.171  127.305    102.171  0.0000     0.0000   30.492  10.905  ?       ?       0.000000       10.90520 
1 1 1 -12 24  41 o 29.981  8.4091  125.420    63.653   14.507     82.932   284.437    99.300   20.976  9.0232  44.714  9.4485  -23.73766      13.06494 
1 1 1 -12 25  1  o 136.645 5.9895  2277.76    198.585  2186.23    302.860  2346.79    263.019  133.011 9.4455  138.207 7.8758  -5.196442      12.29819 
1 1 1 -12 25  2  o 158.412 6.2869  3063.26    241.649  3114.73    364.716  3022.98    322.628  158.839 9.5068  156.742 8.5150  2.096527       12.76261 
1 1 1 -12 25  3  o 159.993 6.3125  3125.33    245.057  3044.23    369.885  3188.78    327.161  156.925 9.7627  161.004 8.4037  -4.079193      12.88143 
1 1 1 -12 25  4  o 78.073  5.8108  747.648    109.290  495.325    180.240  894.365    137.439  62.083  12.399  85.289  6.6951  -23.20595      14.09108 
1 1 1 -12 25  5  o 123.444 5.8551  1859.50    175.374  1844.08    276.677  1869.86    226.743  122.025 9.4174  123.313 7.6154  -1.287109      12.11122 
1 1 1 -12 25  6  f 61.750  4.3591  466.445    64.893   475.503    90.383   456.809    93.229   62.112  6.0750  60.811  6.4152  1.300995       8.835136 
1 1 1 -12 25  7  o 134.516 4.2304  2202.51    138.076  2263.49    193.900  2139.78    196.668  136.157 5.8691  132.346 6.1243  3.810211       8.482576 
1 1 1 -12 25  8  o 221.088 5.3734  5963.75    288.254  5916.75    405.840  6011.59    409.491  219.591 7.6169  221.342 7.6246  -1.750412      10.77735 
1 1 1 -12 25  9  o 121.192 4.1753  1788.41    122.780  1814.22    172.324  1761.80    174.980  121.852 5.8284  119.901 6.0338  1.951302       8.389113 
1 1 1 -12 25  10 o 10.024  4.8575  -61.2386   36.577   -74.4145   47.063   -41.1407   58.125   11.545  5.5734  15.183  6.9619  -3.638293      8.918000 
1 1 1 -12 25  11 o 91.270  4.0303  1014.73    89.253   894.703    123.894  1144.23    128.689  85.282  6.0261  96.595  5.5135  -11.31293      8.167735 
1 1 1 -12 25  12 o 25.353  7.1484  81.213     45.872   124.995    62.468   29.973     67.579   31.240  8.1539  21.525  8.5879  9.715048       11.84222 
1 1 1 -12 25  13 o 118.380 4.1715  1709.27    119.820  1637.52    168.071  1783.41    170.866  115.384 6.0241  120.613 5.8385  -5.228577      8.389146 
1 1 1 -12 25  14 o 166.870 4.6515  3403.31    188.338  3362.12    265.061  3445.30    267.659  165.238 6.6111  167.275 6.5946  -2.037704      9.337800 
1 1 1 -12 25  15 o 117.225 4.1594  1678.16    118.308  1602.83    165.791  1756.32    168.878  114.005 6.0147  119.549 5.8219  -5.543648      8.370808 
1 1 1 -12 25  16 o 215.559 5.3880  5706.48    281.812  5589.79    397.376  5824.56    399.718  211.991 7.7254  216.476 7.6099  -4.485199      10.84401 
1 1 1 -12 25  17 o 102.591 4.1985  1287.41    104.513  1268.57    145.227  1307.64    150.522  101.259 5.9368  102.769 6.0632  -1.509743      8.485705 
1 1 1 -12 25  18 o 29.326  6.9657  111.081    48.830   127.317    64.174   88.754     75.252   31.289  8.3119  27.392  9.3920  3.897161       12.54187 
1 1 1 -12 25  19 o 148.489 4.5724  2706.31    164.739  2666.08    231.314  2747.72    234.675  146.514 6.5067  148.743 6.5023  -2.228531      9.198743 
1 1 1 -12 25  20 o 72.695  6.1732  660.272    107.858  543.489    127.240  958.438    203.311  65.158  8.2317  85.884  9.9400  -20.72571      12.90597 
1 1 1 -12 25  21 o 35.856  8.1920  168.732    69.713   97.595     81.610   360.747    134.081  28.429  9.7789  51.705  11.024  -23.27546      14.73631 
1 1 1 -12 25  22 o 176.467 7.1777  3910.84    307.336  4298.65    400.271  3353.81    479.716  183.234 9.0029  157.531 12.657  25.70377       15.53242 
1 1 1 -12 25  23 o 46.606  5.3665  272.220    59.579   291.588    83.729   252.355    84.795   47.575  7.5018  43.929  8.2584  3.646484       11.15700 
1 1 1 -12 25  24 o 43.002  6.3710  235.530    64.463   202.771    89.519   270.813    92.905   38.869  9.5584  45.320  8.7655  -6.451157      12.96908 
1 1 1 -12 25  25 o 13.066  6.1682  -55.2350   51.188   45.630     77.330   -133.8991  68.291   23.411  9.2349  12.875  6.3239  10.53623       11.19261 
1 1 1 -12 25  26 o 27.906  8.6128  100.961    64.157   95.774     100.415  104.539    83.398   29.053  10.748  28.947  9.8875  0.1060524      14.60442 
1 1 1 -12 25  27 o 46.213  8.2763  281.317    89.395   405.757    223.938  257.728    97.501   51.377  16.130  43.699  9.4691  7.678299       18.70390 
1 1 1 -12 25  28 o 17.797  8.0606  -33.1800   74.913   -73.9030   204.516  -26.8694   80.509   28.347  13.020  18.859  8.4651  9.487968       15.53011 
1 1 1 -12 25  29 o 9.2061  4.5168  -67.7255   34.533   -254.9844  201.190  -62.0412   35.053   23.512  11.393  9.5650  4.6623  13.94692       12.31040 
1 1 1 -12 25  30 o 41.480  10.845  244.187    110.379  244.187    110.379  0.0000     0.0000   41.480  10.845  ?       ?       0.000000       10.84475 
1 1 1 -12 25  31 o 33.386  10.129  155.312    89.210   155.312    89.210   0.0000     0.0000   33.386  10.129  ?       ?       0.000000       10.12853 
1 1 1 -12 25  32 o 89.389  4.8152  1000.90    104.055  1186.34    148.113  820.172    146.217  96.223  6.3800  78.954  7.7316  17.26894       10.02405 
1 1 1 -12 25  33 o 63.084  5.1986  503.707    78.865   417.631    113.772  583.322    109.419  55.360  8.7616  66.947  6.8316  -11.58739      11.11022 
1 1 1 -12 25  34 o 49.239  6.0302  313.294    70.539   371.069    107.391  269.452    93.550   51.974  8.8316  43.994  9.0652  7.980236       12.65600 
1 1 1 -12 25  35 o 20.530  8.2303  35.280     62.387   13.544     85.129   60.497     91.694   21.257  9.1429  24.925  9.9830  -3.667826      13.53706 
1 1 1 -12 25  36 o 41.124  7.6174  228.050    73.211   282.669    105.463  177.248    101.711  44.414  10.024  34.838  10.860  9.576199       14.77882 
1 1 1 -12 25  37 o 34.064  8.5186  161.120    70.225   222.230    101.188  104.339    97.539   39.067  10.465  28.570  10.589  10.49707       14.88708 
1 1 1 -12 25  38 o 26.587  12.744  -171.9600  235.834  0.0000     0.0000   -171.9600  235.834  ?       ?       26.587  12.744  0.000000       12.74357 
1 1 1 -12 25  39 o 24.995  9.9882  62.764     91.560   101.690    98.186   -196.7955  253.542  28.263  10.594  26.915  12.979  1.348263       16.75382 
1 1 1 -12 25  40 o 24.611  8.6427  78.177     63.907   82.056     85.408   73.242     96.331   25.978  9.8491  25.895  10.278  0.8307838E-01  14.23508 
1 1 1 -12 26  1  o 130.196 5.8994  2068.57    186.369  2088.24    284.431  2053.77    246.706  129.995 9.0744  129.196 7.9079  0.7987213      12.03665 
1 1 1 -12 26  2  o 133.677 5.9491  2181.20    192.962  2369.20    296.960  2043.82    253.859  138.530 8.8814  128.804 8.1649  9.726013       12.06422 
1 1 1 -12 26  3  o 107.120 4.0312  1396.15    104.777  1483.18    146.870  1305.96    149.519  110.273 5.4891  103.252 5.9939  7.020988       8.127555 
1 1 1 -12 26  4  o 238.572 5.6175  6945.40    325.180  7136.17    457.382  6750.42    462.408  241.173 7.8160  234.458 8.1282  6.715652       11.27646 
1 1 1 -12 26  5  o 92.537  3.9864  1042.06    89.507   1054.23    124.577  1029.08    128.686  92.778  5.5595  91.619  5.8189  1.158852       8.047775 
1 1 1 -12 26  6  f 89.759  3.9862  980.607    86.817   960.213    121.986  1001.54    123.585  88.491  5.7118  90.391  5.6634  -1.899559      8.043537 
1 1 1 -12 26  7  o 135.898 4.2684  2249.39    140.749  2238.57    197.623  2260.53    200.506  135.309 6.0193  135.961 6.0779  -0.6518707     8.554092 
1 1 1 -12 26  8  o 77.745  4.1065  738.201    77.191   662.399    107.922  817.600    110.452  73.324  6.1219  81.606  5.6123  -8.281525      8.305157 
1 1 1 -12 26  9  o 202.896 4.9051  5024.73    241.480  4499.40    339.616  5561.90    343.424  191.290 7.3170  212.928 6.6471  -21.63835      9.885472 
1 1 1 -12 26  10 o 91.486  4.1308  1020.23    91.697   1093.11    128.198  943.873    131.212  94.344  5.6258  87.521  6.2192  6.822601       8.386173 
1 1 1 -12 26  11 o 86.284  4.1081  907.901    86.008   927.523    119.253  886.630    124.163  86.826  5.6920  84.799  6.0747  2.026749       8.324679 
1 1 1 -12 26  12 o 109.739 4.1164  1469.39    109.608  1416.96    153.097  1524.51    156.995  107.284 5.9039  111.312 5.8330  -4.027969      8.299449 
1 1 1 -12 26  13 o 58.557  4.4365  421.419    62.567   420.930    86.061   421.968    91.123   58.172  6.1924  58.154  6.5732  0.1759338E-01  9.030602 
1 1 1 -12 26  14 o 119.594 4.2221  1748.03    122.519  1703.44    172.128  1793.82    174.430  117.454 6.0604  120.713 5.9553  -3.258774      8.496754 
1 1 1 -12 26  15 o 70.257  4.2685  605.994    72.421   542.844    100.834  673.277    104.080  65.991  6.3768  73.695  5.8693  -7.703827      8.666751 
1 1 1 -12 26  16 o 28.819  6.8512  107.144    47.205   95.965     65.308   119.375    68.310   27.679  8.7140  30.413  8.7723  -2.734882      12.36476 
1 1 1 -12 26  17 o 91.197  4.2098  1018.81    93.156   1034.98    129.157  1001.28    134.490  91.331  5.8591  89.701  6.2176  1.630516       8.543272 
1 1 1 -12 26  18 o 127.105 4.3589  1982.14    134.434  1998.89    188.091  1964.64    192.211  126.962 6.1057  125.623 6.3262  1.338928       8.792009 
1 1 1 -12 26  19 o 82.120  6.1386  842.110    121.430  857.918    143.882  802.979    226.377  82.427  7.2684  76.869  12.572  5.558762       14.52184 
1 1 1 -12 26  20 o 18.783  7.8710  10.888     60.345   -7.7067    66.318   100.393    145.497  18.270  7.9628  32.275  12.688  -14.00517      14.97949 
1 1 1 -12 26  21 o 72.796  6.0483  663.792    105.864  719.819    126.837  535.133    192.207  75.429  7.0104  61.783  13.221  13.64537       14.96457 
1 1 1 -12 26  22 o 51.358  5.0352  328.913    61.939   393.413    86.792   261.967    88.422   55.727  6.5432  44.663  8.4692  11.06433       10.70242 
1 1 1 -12 26  23 o 48.001  5.9216  290.967    67.507   243.949    94.154   340.708    96.842   42.708  9.3455  51.210  8.0601  -8.502426      12.34114 
1 1 1 -12 26  24 o 56.793  5.4435  403.977    74.094   433.876    102.803  371.657    106.885  58.110  7.4636  53.256  8.5615  4.853638       11.35803 
1 1 1 -12 26  25 o 16.061  6.9914  -5.5486    50.987   31.548     71.273   -44.4337   72.970   21.610  8.7498  17.008  7.7991  4.602844       11.72111 
1 1 1 -12 26  26 o 28.240  9.7515  99.332     81.193   44.851     169.387  115.584    92.514   30.337  12.968  30.184  10.410  0.1537266      16.62968 
1 1 1 -12 26  27 o 28.153  9.6698  100.043    79.787   194.253    186.680  78.988     88.253   38.335  14.555  26.737  10.040  11.59804       17.68134 
1 1 1 -12 26  28 o 28.259  9.7190  101.905    80.613   159.586    201.269  90.884     87.978   36.641  14.750  27.604  10.085  9.036598       17.86805 
1 1 1 -12 26  29 o 59.172  8.4297  466.124    117.607  466.124    117.607  0.0000     0.0000   59.172  8.4297  ?       ?       0.000000       8.429684 
1 1 1 -12 26  30 o 71.198  7.7216  666.237    131.256  666.237    131.256  0.0000     0.0000   71.198  7.7216  ?       ?       0.000000       7.721598 
1 1 1 -12 26  31 o 53.677  5.7583  368.527    73.825   502.169    110.239  259.855    99.408   61.707  7.5181  42.946  9.7611  18.76120       12.32075 
1 1 1 -12 26  32 o 38.485  6.6865  195.513    60.173   179.935    96.079   205.567    77.186   35.285  10.468  38.625  8.4690  -3.340057      13.46493 
1 1 1 -12 26  33 o 29.497  7.6980  118.932    55.682   107.130    92.424   125.657    69.764   28.571  10.352  30.039  8.9219  -1.468670      13.66651 
1 1 1 -12 26  34 o 25.815  8.8779  87.306     67.264   24.452     89.145   170.398    102.497  22.265  9.4600  34.133  10.935  -11.86771      14.45930 
1 1 1 -12 26  35 o 75.709  5.1900  726.776    94.765   643.709    129.741  821.777    138.749  69.353  7.8480  78.887  7.3326  -9.533768      10.74048 
1 1 1 -12 26  36 o 31.027  8.6712  134.270    67.810   115.315    91.663   157.184    100.781  29.222  10.342  32.998  10.864  -3.776678      14.99930 
1 1 1 -12 26  37 o 31.147  14.350  -2.7286    251.019  0.0000     0.0000   -2.7286    251.019  ?       ?       31.147  14.350  0.000000       14.35003 
1 1 1 -12 26  38 o 27.542  10.435  94.548     95.824   103.459    102.925  36.571     262.535  28.509  10.811  32.397  14.833  -3.887709      18.35477 
1 1 1 -12 26  39 o 35.337  8.2969  174.699    69.924   223.140    93.132   112.111    105.861  39.111  9.8263  29.065  10.978  10.04530       14.73354 
1 1 1 -12 27  1  o 77.639  4.1136  735.684    77.217   679.670    105.952  799.138    112.769  74.371  5.9204  80.700  5.7977  -6.328690      8.286420 
1 1 1 -12 27  2  o 31.568  6.5926  126.412    48.867   102.735    65.358   156.428    73.589   28.758  8.6571  34.971  8.7063  -6.212729      12.27780 
1 1 1 -12 27  3  o 36.855  5.7757  169.827    49.953   106.996    66.110   253.436    76.262   29.264  8.6836  44.916  7.2439  -15.65216      11.30835 
1 1 1 -12 27  4  o 67.481  4.1811  556.630    68.123   506.589    95.230   609.074    97.490   64.064  6.2040  70.376  5.7597  -6.311607      8.465389 
1 1 1 -12 27  5  o 145.609 4.3877  2583.39    155.019  2628.55    217.342  2536.64    221.167  146.578 6.1110  143.948 6.3321  2.629684       8.800004 
1 1 1 -12 27  6  o 109.701 4.0761  1465.86    108.499  1525.90    152.940  1405.02    153.947  111.578 5.6677  106.998 5.9532  4.579636       8.219726 
1 1 1 -12 27  7  o 173.358 4.6790  3666.82    196.817  3761.74    277.085  3570.16    279.614  175.121 6.5210  170.534 6.7575  4.586563       9.390753 
1 1 1 -12 27  8  o 72.534  4.1426  643.468    72.606   702.870    102.240  583.032    103.127  75.574  5.6156  68.667  6.2583  6.906914       8.408388 
1 1 1 -12 27  9  o 91.860  4.0551  1028.97    90.384   1112.06    127.177  944.169    128.479  95.133  5.5334  87.511  6.0886  7.621643       8.227359 
1 1 1 -12 27  10 f 97.039  4.0969  1148.96    96.464   1116.95    134.168  1183.21    138.792  95.228  5.8347  98.015  5.8628  -2.786568      8.271402 
1 1 1 -12 27  11 o 148.317 4.4849  2688.90    161.400  2695.72    227.010  2681.93    229.518  147.959 6.3232  147.550 6.4108  0.4091797      9.004556 
1 1 1 -12 27  12 o 62.913  4.3711  486.248    66.313   434.317    92.140   542.047    95.511   58.971  6.5501  66.089  6.0221  -7.118774      8.897766 
1 1 1 -12 27  13 o 37.782  5.7187  179.510    50.786   173.523    69.912   186.199    73.898   36.603  8.0874  37.901  8.2682  -1.298512      11.56582 
1 1 1 -12 27  14 o 31.377  6.5704  126.347    48.419   99.598     63.763   162.776    74.412   28.045  8.5749  35.292  8.7363  -7.247190      12.24141 
1 1 1 -12 27  15 o 57.128  4.5289  402.751    62.263   438.791    85.724   362.510    90.582   59.268  6.0456  53.493  7.1583  5.774261       9.369666 
1 1 1 -12 27  16 o 47.742  4.9443  283.345    56.445   284.901    77.426   281.580    82.462   47.336  6.9479  46.883  7.5019  0.4531670      10.22501 
1 1 1 -12 27  17 o 28.583  8.4776  105.506    63.021   110.436    69.494   82.680     149.531  29.292  8.9512  31.632  12.720  -2.340401      15.55426 
1 1 1 -12 27  18 o 29.450  8.5584  113.015    64.800   103.629    71.599   155.510    152.352  28.569  9.1382  36.016  13.255  -7.446388      16.09940 
1 1 1 -12 27  19 o 34.181  8.6244  154.781    71.526   163.573    80.239   120.763    157.832  35.028  9.2890  34.038  13.262  0.9898987      16.19185 
1 1 1 -12 27  20 o 20.300  8.1207  29.228     60.592   38.027     66.467   -14.0492   147.411  21.720  8.5637  26.526  11.706  -4.805971      14.50415 
1 1 1 -12 27  21 o 62.218  5.8948  486.117    87.931   584.505    139.152  420.714    113.452  66.994  8.7710  56.818  8.4897  10.17576       12.20680 
1 1 1 -12 27  22 o 63.559  5.2396  503.987    80.085   542.554    110.241  460.890    116.536  65.247  7.0768  59.551  8.2898  5.695744       10.89963 
1 1 1 -12 27  23 o 44.567  6.6740  254.757    69.950   277.741    93.910   226.111    104.840  45.751  8.7789  40.576  10.550  5.175220       13.72502 
1 1 1 -12 27  24 o 33.800  7.6062  150.903    60.873   136.079    83.582   167.648    88.833   31.930  9.8265  35.110  9.9646  -3.180172      13.99477 
1 1 1 -12 27  25 f 65.556  7.2938  553.258    114.052  423.000    214.315  604.722    134.712  52.207  15.668  67.991  8.3406  -15.78401      17.74938 
1 1 1 -12 27  26 o 45.553  8.6156  277.881    91.739   225.493    190.404  293.719    104.692  39.972  14.798  46.367  9.6208  -6.395226      17.65053 
1 1 1 -12 27  27 o 18.506  8.0297  -1.2513    66.827   -242.4156  150.865  57.619     74.539   19.496  9.5394  23.825  9.1606  -4.328949      13.22556 
1 1 1 -12 27  28 o 45.487  9.6489  286.921    103.195  286.921    103.195  0.0000     0.0000   45.487  9.6489  ?       ?       0.000000       9.648854 
1 1 1 -12 27  29 o 87.441  7.1332  993.618    150.024  993.618    150.024  0.0000     0.0000   87.441  7.1332  ?       ?       0.000000       7.133157 
1 1 1 -12 27  30 o 35.401  7.2792  168.080    60.438   137.361    102.753  184.330    74.732   31.528  10.965  36.525  8.5785  -4.996851      13.92227 
1 1 1 -12 27  31 o 52.464  5.7594  353.748    72.111   411.544    107.773  306.899    97.031   55.072  8.3249  47.133  8.8082  7.939201       12.11979 
1 1 1 -12 27  32 o 97.709  4.7521  1198.42    112.664  1168.36    156.867  1230.44    161.916  94.558  6.8843  97.008  6.9244  -2.449875      9.764269 
1 1 1 -12 27  33 o 36.597  8.5144  186.802    74.184   187.978    93.104   184.759    122.767  35.887  10.207  35.076  11.996  0.8107338      15.75097 
1 1 1 -12 27  34 o 81.802  5.6527  855.855    111.509  762.799    155.994  953.089    159.458  74.582  8.7888  84.362  7.8813  -9.779732      11.80498 
1 1 1 -12 27  35 o 63.172  6.6820  522.065    100.868  365.372    140.155  690.427    145.280  48.972  11.910  71.146  8.5895  -22.17393      14.68404 
1 1 1 -12 27  36 o 26.601  12.777  -171.0022  239.801  0.0000     0.0000   -171.0022  239.801  ?       ?       26.601  12.777  0.000000       12.77674 
1 1 1 -12 27  37 o 35.094  15.654  131.506    270.754  0.0000     0.0000   131.506    270.754  ?       ?       35.094  15.654  0.000000       15.65401 
1 1 1 -12 27  38 o 25.786  9.1324  87.874     71.485   77.485     92.580   103.214    112.495  25.859  10.135  28.572  11.179  -2.713642      15.08903 
1 1 1 -12 28  1  o 99.480  4.0015  1204.81    96.587   1201.38    134.359  1208.48    138.947  99.016  5.6155  99.277  5.7933  -0.2610626     8.068231 
1 1 1 -12 28  2  o 74.968  4.0878  686.458    74.078   589.261    101.839  795.671    107.951  69.132  6.1349  80.513  5.5599  -11.38140      8.279431 
1 1 1 -12 28  3  o 107.403 4.0839  1405.06    106.427  1300.83    148.437  1515.33    152.673  102.941 5.9684  111.190 5.6779  -8.248108      8.237700 
1 1 1 -12 28  4  o 64.990  4.2515  516.954    66.674   511.098    92.892   523.176    95.756   64.336  6.0206  65.077  6.1367  -0.7405548     8.596881 
1 1 1 -12 28  5  o 175.496 4.6516  3758.64    198.077  3718.20    278.032  3800.31    282.261  174.037 6.5840  175.939 6.6119  -1.902466      9.330920 
1 1 1 -12 28  6  o 132.753 4.2492  2149.50    136.872  2127.66    191.836  2172.13    195.345  131.730 6.0018  133.088 6.0492  -1.358307      8.521405 
1 1 1 -12 28  7  f 60.271  4.2903  445.504    62.333   451.694    86.705   438.884    89.675   60.384  5.9971  59.446  6.3137  0.9375305      8.707917 
1 1 1 -12 28  8  o 28.791  6.6155  106.090    45.245   21.768     63.286   194.255    64.712   20.258  8.2299  39.101  7.0815  -18.84221      10.85723 
1 1 1 -12 28  9  o 90.273  4.0215  994.748    88.087   981.703    123.886  1008.09    125.273  89.215  5.7536  90.414  5.7400  -1.199036      8.127230 
1 1 1 -12 28  10 o 36.710  5.7567  169.561    49.590   199.905    70.263   139.445    70.000   39.493  7.6083  32.806  8.6649  6.687061       11.53113 
1 1 1 -12 28  11 o 132.582 4.3121  2150.57    138.719  2145.17    194.560  2156.16    197.837  131.870 6.0806  132.176 6.1687  -0.3052826     8.661747 
1 1 1 -12 28  12 o 129.958 4.3403  2068.15    136.865  1898.14    191.650  2245.10    195.519  123.673 6.4086  134.846 5.9757  -11.17268      8.762336 
1 1 1 -12 28  13 o 120.985 4.2529  1793.15    124.847  1769.81    174.680  1817.52    178.504  119.464 6.0459  121.045 6.0972  -1.581291      8.586532 
1 1 1 -12 28  14 o 53.000  4.7712  347.996    60.700   335.637    82.876   362.297    89.153   51.499  6.7985  53.458  7.0448  -1.959190      9.790236 
1 1 1 -12 28  15 o 21.857  8.0339  49.625     55.947   2.9600     63.341   215.231    119.324  18.625  7.9452  39.912  11.618  -21.28754      14.07480 
1 1 1 -12 28  16 o 39.641  7.7110  204.318    71.498   139.300    83.834   377.770    136.929  32.569  9.8048  52.862  11.032  -20.29283      14.75942 
1 1 1 -12 28  17 o 23.034  8.2293  59.403     58.166   71.366     63.381   -4.4616    146.440  24.688  8.6106  26.914  11.778  -2.226183      14.59019 
1 1 1 -12 28  18 o 38.757  7.8193  196.616    70.997   240.455    79.050   13.767     161.445  42.942  7.8770  28.817  12.492  14.12474       14.76837 
1 1 1 -12 28  19 o 79.245  4.3853  775.500    83.993   783.648    116.158  766.571    121.596  79.017  6.1058  77.982  6.4851  1.035423       8.907193 
1 1 1 -12 28  20 o 34.735  7.3856  157.997    60.330   214.045    90.098   112.441    81.228   39.867  9.4569  29.641  9.7528  10.22528       13.58496 
1 1 1 -12 28  21 f 30.813  7.9847  125.730    60.184   50.979     89.336   187.846    81.437   24.828  9.8840  37.390  9.0694  -12.56167      13.41445 
1 1 1 -12 28  22 o 45.203  6.4523  261.468    68.761   246.820    95.988   276.908    98.548   42.718  9.5058  45.411  9.2577  -2.693550      13.26896 
1 1 1 -12 28  23 o 102.910 4.7170  1311.41    117.783  1293.31    158.161  1333.94    176.483  101.110 6.4809  102.235 7.1596  -1.125603      9.657205 
1 1 1 -12 28  24 o 95.329  6.5770  1154.68    151.201  1128.48    260.433  1168.00    185.704  89.461  12.325  94.750  8.1570  -5.288567      14.77966 
1 1 1 -12 28  25 o 69.631  7.0105  624.465    116.834  258.323    215.610  776.668    139.013  41.824  15.695  77.410  7.4949  -35.58552      17.39255 
1 1 1 -12 28  26 o 17.462  7.3654  9.4131     53.409   -57.4360   75.113   77.772     75.957   16.521  7.6933  25.659  9.3716  -9.138342      12.12492 
1 1 1 -12 28  27 o 57.425  5.5078  418.603    75.802   544.530    117.152  327.914    99.419   64.323  7.6567  49.202  8.6431  15.12117       11.54673 
1 1 1 -12 28  28 o 96.942  6.8550  1217.07    160.205  1217.07    160.205  0.0000     0.0000   96.942  6.8550  ?       ?       0.000000       6.855037 
1 1 1 -12 28  29 o 37.769  6.9904  189.935    61.702   167.653    103.272  202.304    76.946   34.023  10.985  38.267  8.5073  -4.244259      13.89371 
1 1 1 -12 28  30 o 86.942  4.9306  953.870    103.585  859.790    150.388  1038.80    142.884  80.232  7.8247  89.371  6.6364  -9.138992      10.26002 
1 1 1 -12 28  31 o 67.361  5.1394  576.495    83.366   482.184    123.419  655.635    113.058  59.029  8.8928  70.811  6.6584  -11.78147      11.10926 
1 1 1 -12 28  32 o 43.505  7.4493  255.287    75.808   273.007    97.636   228.390    120.292  43.746  9.4726  38.526  11.777  5.219887       15.11411 
1 1 1 -12 28  33 o 46.575  7.1086  289.406    77.788   257.976    99.982   337.611    123.821  42.186  9.9321  47.645  10.941  -5.459152      14.77697 
1 1 1 -12 28  34 o 55.904  9.3120  438.356    121.870  411.790    134.415  561.073    288.894  52.915  10.834  52.088  18.368  0.8272133      21.32520 
1 1 1 -12 28  35 o 57.187  19.106  696.208    311.326  0.0000     0.0000   696.208    311.326  ?       ?       57.187  19.106  0.000000       19.10573 
1 1 1 -12 28  36 o 41.390  17.226  326.021    286.196  0.0000     0.0000   326.021    286.196  ?       ?       41.390  17.226  0.000000       17.22567 
1 1 1 -12 28  37 o 18.768  8.1755  3.9333     69.827   9.6694     87.879   -5.8902    115.005  20.988  9.1562  22.589  10.130  -1.601425      13.65478 
1 1 1 -12 29  1  o 82.232  4.0840  823.936    81.487   696.388    111.413  970.647    119.490  75.149  6.1644  88.920  5.5662  -13.77096      8.305602 
1 1 1 -12 29  2  o 143.727 4.3678  2519.26    152.321  2586.91    212.441  2447.69    218.515  145.303 6.0256  141.255 6.3755  4.047134       8.772385 
1 1 1 -12 29  3  o 52.384  4.7039  337.714    59.152   343.243    80.388   331.185    87.351   52.493  6.4469  51.383  7.2043  1.110538       9.667700 
1 1 1 -12 29  4  o 105.757 4.1061  1364.07    105.366  1327.12    145.833  1404.43    152.404  103.885 5.8088  106.854 5.9010  -2.968994      8.280328 
1 1 1 -12 29  5  o 75.673  4.1601  700.860    76.092   574.863    105.345  838.311    110.030  68.068  6.4556  82.523  5.5270  -14.45540      8.498342 
1 1 1 -12 29  6  o 208.186 5.2227  5310.23    263.822  5395.64    370.927  5222.79    375.311  208.869 7.3190  205.381 7.5313  3.487946       10.50179 
1 1 1 -12 29  7  o 128.130 4.2583  2005.99    132.390  1984.31    185.869  2028.31    188.617  126.984 6.0324  128.378 6.0552  -1.393410      8.547251 
1 1 1 -12 29  8  o 127.879 4.2758  1999.43    132.672  2111.61    186.812  1885.27    188.453  130.967 5.8787  123.459 6.3120  7.507599       8.625580 
1 1 1 -12 29  9  o 29.876  6.4552  114.470    45.428   163.929    63.892   63.902     64.605   35.640  7.6192  24.221  8.6707  11.41925       11.54267 
1 1 1 -12 29  10 o 139.995 4.3783  2400.62    148.724  2344.60    209.468  2457.57    211.197  137.663 6.2710  140.982 6.1739  -3.319550      8.800135 
1 1 1 -12 29  11 o 79.896  4.1681  783.831    80.523   761.699    113.273  806.440    114.489  78.253  6.0117  80.567  5.8976  -2.314293      8.421508 
1 1 1 -12 29  12 o 24.402  6.8821  76.307     42.512   94.669     57.419   54.031     63.244   27.192  8.0983  23.009  8.5265  4.182743       11.75939 
1 1 1 -12 29  13 o 39.578  5.6929  197.624    53.097   283.321    72.213   96.764     78.342   47.304  6.4604  28.205  9.5834  19.09912       11.55758 
1 1 1 -12 29  14 o 12.406  5.8435  -48.1393   45.469   -53.9107   50.220   -21.8968   107.089  12.984  6.1235  22.440  9.9363  -9.456108      11.67164 
1 1 1 -12 29  15 o 18.034  7.5457  10.409     55.340   21.326     63.230   -25.3312   114.402  19.967  8.1818  22.994  10.221  -3.027206      13.09275 
1 1 1 -12 29  16 o 35.278  7.9067  163.788    66.005   213.053    75.881   10.620     133.796  40.302  8.0415  26.456  11.421  13.84578       13.96760 
1 1 1 -12 29  17 o 38.824  5.9427  191.879    54.201   103.491    74.270   292.592    79.279   28.518  9.3230  47.730  7.0584  -19.21192      11.69354 
1 1 1 -12 29  18 o 62.664  5.1161  489.547    77.110   383.267    110.608  590.041    107.555  53.992  8.7418  68.266  6.5745  -14.27464      10.93819 
1 1 1 -12 29  19 o 44.152  6.3477  248.936    66.049   172.991    98.052   312.021    89.366   35.673  10.573  48.972  7.7810  -13.29913      13.12766 
1 1 1 -12 29  20 o 62.191  5.1601  483.233    77.164   497.049    110.060  469.877    108.215  62.138  7.4483  60.345  7.5564  1.792950       10.61016 
1 1 1 -12 29  21 o 88.030  4.6819  961.698    99.646   1013.69    141.748  910.901    140.107  89.427  6.5787  84.576  6.8871  4.851639       9.524303 
1 1 1 -12 29  22 o 96.398  6.5639  1179.63    152.616  1022.09    260.807  1261.68    188.204  84.393  13.166  98.728  7.9231  -14.33504      15.36633 
1 1 1 -12 29  23 o 46.233  8.5112  285.888    91.961   347.609    188.547  266.622    105.340  47.455  14.785  43.843  10.109  3.611588       17.91015 
1 1 1 -12 29  24 o 60.554  7.3770  477.808    106.149  469.794    208.262  480.620    123.378  54.357  15.198  59.937  8.7408  -5.579956      17.53235 
1 1 1 -12 29  25 o 16.912  7.2773  1.8347     53.975   81.173     74.912   -83.8205   77.837   25.849  9.3273  15.767  7.4913  10.08235       11.96318 
1 1 1 -12 29  26 o 34.128  7.0747  155.283    56.661   53.290     89.835   222.660    73.016   24.463  9.8519  40.761  7.6639  -16.29787      12.48176 
1 1 1 -12 29  27 o 77.396  7.5727  790.971    140.389  790.971    140.389  0.0000     0.0000   77.396  7.5727  ?       ?       0.000000       7.572705 
1 1 1 -12 29  28 o 27.241  9.9059  95.250     84.731   51.273     92.338   329.635    213.172  24.282  9.9115  43.479  15.727  -19.19685      18.58986 
1 1 1 -12 29  29 f 31.751  7.6679  138.449    58.407   175.090    100.406  119.709    71.807   34.430  10.799  29.250  9.1257  5.179272       14.13862 
1 1 1 -12 29  30 o 35.142  9.2254  176.878    79.663   135.554    108.446  225.315    117.409  30.984  11.216  38.281  11.621  -7.297018      16.15063 
1 1 1 -12 29  31 o 33.263  9.0411  157.943    74.881   151.434    99.430   166.471    113.819  32.178  10.797  33.415  11.545  -1.237411      15.80730 
1 1 1 -12 29  32 o 45.818  7.2081  281.575    77.487   255.274    100.146  320.809    122.315  41.817  10.004  46.188  11.060  -4.370457      14.91357 
1 1 1 -12 29  33 o 41.229  10.135  249.036    100.671  170.109    108.287  751.667    273.268  33.778  11.268  63.040  17.328  -29.26196      20.66968 
1 1 1 -12 29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -12 29  35 o 38.559  11.932  234.070    123.036  0.0000     0.0000   234.070    123.036  ?       ?       38.559  11.932  0.000000       11.93153 
1 1 1 -12 29  36 o 26.264  8.9735  94.699     68.692   131.848    87.260   34.164     111.389  30.091  10.115  24.165  10.426  5.926311       14.52604 
1 1 1 -12 30  1  o 9.9721  4.8132  -55.2778   35.066   -35.8250   45.556   -83.5591   54.930   13.212  6.0963  12.575  6.0583  0.6370420      8.594656 
1 1 1 -12 30  2  o 70.687  4.1890  611.895    71.527   645.579    97.883   573.297    104.779  72.351  5.6198  67.979  6.4286  4.371895       8.538676 
1 1 1 -12 30  3  o 69.848  4.1822  597.709    70.554   581.039    95.998   617.289    104.043  68.549  5.8268  70.599  6.1346  -2.049965      8.460833 
1 1 1 -12 30  4  f 214.153 5.2143  5622.12    270.948  5405.45    380.192  5845.73    386.238  208.832 7.5031  217.277 7.3262  -8.445679      10.48663 
1 1 1 -12 30  5  o 146.795 4.4250  2635.48    157.614  2543.15    220.415  2732.08    225.469  143.601 6.3259  148.871 6.2418  -5.270416      8.886921 
1 1 1 -12 30  6  f 56.547  4.5282  393.912    61.609   379.968    84.901   409.421    89.541   55.096  6.4743  57.192  6.5719  -2.095871      9.225252 
1 1 1 -12 30  7  o 28.012  6.6686  101.020    44.673   88.355     62.388   114.345    63.996   26.716  8.5286  29.789  8.4587  -3.072701      12.01198 
1 1 1 -12 30  8  o 114.074 4.1414  1592.72    114.630  1508.61    160.358  1680.62    163.924  110.331 6.0127  116.691 5.7895  -6.360336      8.346927 
1 1 1 -12 30  9  f 64.629  4.2773  514.081    66.696   504.007    93.262   524.627    95.419   63.518  6.1273  64.810  6.1410  -1.292774      8.674976 
1 1 1 -12 30  10 o 53.373  4.5844  352.417    58.794   354.511    82.039   350.206    84.303   53.021  6.5138  52.618  6.7593  0.4030609      9.387107 
1 1 1 -12 30  11 o 35.950  5.8811  164.139    49.526   161.347    70.047   166.929    70.033   35.027  8.3583  35.654  8.2577  -0.6269646     11.74948 
1 1 1 -12 30  12 o 63.435  6.1568  505.143    93.570   538.674    110.192  418.458    177.171  65.182  7.0811  54.464  13.479  10.71828       15.22621 
1 1 1 -12 30  13 o 21.779  8.1485  47.604     58.034   70.649     66.243   -28.4734   120.362  24.794  8.7900  23.445  10.449  1.348829       13.65456 
1 1 1 -12 30  14 o 62.143  6.1489  486.313    91.499   475.666    108.455  512.602    170.426  60.923  7.4949  60.973  11.947  -0.5023193E-01 14.10312 
1 1 1 -12 30  15 o 15.900  7.0296  -13.3800   53.396   -24.3022   60.270   26.474     115.129  16.269  7.3117  25.584  10.804  -9.315775      13.04557 
1 1 1 -12 30  16 o 73.988  4.3390  676.696    77.554   733.821    108.196  616.330    111.223  76.480  5.8753  69.725  6.6550  6.755264       8.877446 
1 1 1 -12 30  17 o 90.328  4.5541  1009.82    99.492   948.025    140.615  1071.77    140.791  86.498  6.7534  92.231  6.3295  -5.733261      9.255857 
1 1 1 -12 30  18 o 58.071  5.3393  422.680    74.391   445.520    104.034  398.782    106.414  58.770  7.4638  55.229  8.1890  3.541359       11.08009 
1 1 1 -12 30  19 o 93.261  4.5999  1075.85    104.090  1127.37    146.689  1023.59    147.729  94.409  6.4420  89.707  6.8385  4.701263       9.394896 
1 1 1 -12 30  20 o 32.317  8.1114  139.784    63.507   89.222     90.830   188.143    88.829   27.739  10.230  37.024  9.7524  -9.285313      14.13391 
1 1 1 -12 30  21 o 17.539  7.8762  -24.0768   69.779   20.045     141.141  -38.3497   80.276   26.973  11.687  18.178  8.2763  8.795776       14.32043 
1 1 1 -12 30  22 o 36.712  9.3926  185.949    84.008   405.799    176.636  121.684    95.501   51.613  13.826  30.490  10.573  21.12345       17.40568 
1 1 1 -12 30  23 o 37.233  9.3813  192.505    84.717   172.230    179.644  198.304    96.070   36.131  14.129  37.453  10.266  -1.322937      17.46493 
1 1 1 -12 30  24 o 20.012  7.8375  36.201     55.337   31.762     80.680   40.145     76.044   22.183  9.1817  22.366  9.0442  -0.1837139     12.88797 
1 1 1 -12 30  25 o 21.307  7.8350  51.330     53.220   44.912     76.435   57.369     74.145   22.682  9.1040  23.509  9.1093  -0.8270950     12.87877 
1 1 1 -12 30  26 o 75.807  7.1852  755.521    130.584  755.521    130.584  0.0000     0.0000   75.807  7.1852  ?       ?       0.000000       7.185166 
1 1 1 -12 30  27 o 39.939  10.323  233.873    100.768  233.873    100.768  0.0000     0.0000   39.939  10.323  ?       ?       0.000000       10.32316 
1 1 1 -12 30  28 o 41.643  6.6346  230.026    64.788   265.030    105.319  208.715    82.176   42.411  10.330  38.340  8.9895  4.070950       13.69385 
1 1 1 -12 30  29 o 29.750  9.3586  125.893    75.344   167.395    105.185  82.160     107.974  33.453  11.103  27.025  10.830  6.427555       15.50986 
1 1 1 -12 30  30 o 54.967  6.6561  398.996    86.966   302.556    116.250  521.559    131.052  44.878  10.805  60.907  9.1506  -16.02873      14.15928 
1 1 1 -12 30  31 f 17.384  7.8165  -18.0327   68.968   29.525     89.164   -88.8641   108.816  22.363  9.4792  18.885  8.9390  3.477810       13.02925 
1 1 1 -12 30  32 o 17.623  8.1486  -45.5452   82.024   -69.6874   87.040   146.000    245.169  17.210  8.1000  34.618  15.193  -17.40808      17.21727 
1 1 1 -12 30  33 o 29.969  14.006  -22.2719   252.521  0.0000     0.0000   -22.2719   252.521  ?       ?       29.969  14.006  0.000000       14.00604 
1 1 1 -12 30  34 o 43.108  12.108  296.916    131.866  0.0000     0.0000   296.916    131.866  ?       ?       43.108  12.108  0.000000       12.10784 
1 1 1 -12 30  35 o 14.630  6.9085  -58.1769   64.283   -117.0449  83.255   28.732     101.159  14.995  7.2809  23.032  9.9364  -8.037080      12.31847 
1 1 1 -12 31  1  o 66.607  4.3207  544.393    69.452   474.525    94.223   627.514    102.772  61.737  6.3820  71.176  6.0070  -9.438530      8.764364 
1 1 1 -12 31  2  o 86.715  4.0804  918.583    85.854   956.867    119.311  877.471    123.637  88.063  5.6129  84.188  6.0937  3.874954       8.284828 
1 1 1 -12 31  3  o 60.394  4.4100  448.622    64.177   442.368    87.616   455.861    94.270   59.588  6.1482  60.398  6.5369  -0.8099556     8.973869 
1 1 1 -12 31  4  o 66.620  4.2848  545.288    68.895   582.357    94.460   503.157    100.703  68.526  5.7338  63.420  6.6428  5.106197       8.775123 
1 1 1 -12 31  5  o 57.109  4.5328  402.196    62.294   399.810    85.805   404.855    90.582   56.496  6.3705  56.761  6.7066  -0.2649155     9.249967 
1 1 1 -12 31  6  o 68.771  4.2334  581.450    70.299   526.088    97.767   640.715    101.155  64.878  6.2895  71.785  5.8586  -6.906815      8.595434 
1 1 1 -12 31  7  o 66.806  4.2660  549.305    68.791   551.657    94.510   546.655    100.320  66.516  5.9176  66.083  6.3342  0.4332657      8.668340 
1 1 1 -12 31  8  o 95.084  4.0836  1108.14    94.215   1038.35    132.073  1180.45    134.439  91.324  5.9935  97.509  5.7071  -6.185265      8.276044 
1 1 1 -12 31  9  o 11.942  5.4941  -26.6834   36.623   3.2378     51.092   -58.3045   52.523   16.848  7.1602  13.181  6.2303  3.667628       9.491283 
1 1 1 -12 31  10 o 40.039  7.6753  208.506    71.852   201.887    83.906   226.706    139.138  38.975  9.0466  40.692  12.704  -1.716675      15.59618 
1 1 1 -12 31  11 o 60.885  6.1663  466.682    89.839   444.049    106.282  523.330    168.143  58.820  7.6263  61.901  11.622  -3.081142      13.90043 
1 1 1 -12 31  12 o 69.394  6.0614  605.104    101.036  517.765    121.187  804.209    182.976  63.308  8.0730  78.021  9.8872  -14.71357      12.76442 
1 1 1 -12 31  13 o 79.669  5.9604  796.382    114.385  751.708    136.671  900.852    209.000  76.691  7.4381  81.873  10.783  -5.182007      13.09951 
1 1 1 -12 31  14 o 25.417  7.0587  84.202     45.083   25.241     63.238   145.140    64.290   20.200  8.2188  33.060  8.0822  -12.86041      11.52698 
1 1 1 -12 31  15 o 20.035  7.8165  34.326     54.881   85.605     86.105   -0.7605    71.224   27.300  9.9769  19.257  8.3226  8.043493       12.99248 
1 1 1 -12 31  16 o 79.586  4.7057  786.309    90.467   819.089    127.545  753.120    128.337  80.369  6.5987  76.860  6.9569  3.509224       9.588655 
1 1 1 -12 31  17 o 16.240  7.0241  -2.3986    50.810   13.441     79.723   -13.2338   65.937   21.156  8.9654  17.714  7.8226  3.442234       11.89839 
1 1 1 -12 31  18 o 59.284  5.3289  441.451    75.836   308.210    106.813  576.887    107.689  47.633  9.5738  67.211  6.6924  -19.57774      11.68098 
1 1 1 -12 31  19 f 38.981  8.8841  206.148    82.160   171.162    161.997  218.263    95.330   36.169  13.598  39.714  9.9215  -3.545258      16.83282 
1 1 1 -12 31  20 o 21.253  8.7497  27.602     72.737   65.761     146.056  15.016     83.879   29.391  12.275  21.559  9.1685  7.832054       15.32103 
1 1 1 -12 31  21 o 14.858  6.9616  -55.6982   63.064   -0.0021    152.047  -67.2703   69.306   26.631  11.814  15.264  7.1972  11.36739       13.83335 
1 1 1 -12 31  22 o 62.815  5.3030  498.933    80.070   481.249    107.400  521.061    120.141  60.511  7.4737  62.588  8.1012  -2.076820      11.02203 
1 1 1 -12 31  23 o 17.276  7.4438  2.6026     56.629   85.334     78.562   -86.8733   81.701   26.260  9.5401  16.091  7.6541  10.16922       12.23107 
1 1 1 -12 31  24 o 17.073  7.1266  13.299     49.197   -36.9460   73.764   53.559     66.028   17.148  7.8553  22.483  8.6271  -5.334816      11.66763 
1 1 1 -12 31  25 o 61.407  7.8947  507.519    114.905  507.519    114.905  0.0000     0.0000   61.407  7.8947  ?       ?       0.000000       7.894663 
1 1 1 -12 31  26 o 69.599  7.3460  645.326    122.182  645.326    122.182  0.0000     0.0000   69.599  7.3460  ?       ?       0.000000       7.346029 
1 1 1 -12 31  27 o 20.438  8.1282  38.544     60.361   2.3654     96.385   61.888     77.423   21.452  9.4662  23.766  9.2808  -2.314495      13.25680 
1 1 1 -12 31  28 o 43.334  8.2588  261.213    83.668   249.911    107.452  278.618    133.345  40.631  10.737  41.650  12.327  -1.019146      16.34738 
1 1 1 -12 31  29 o 66.232  6.1942  572.769    98.387   462.062    132.057  710.886    147.502  56.387  10.019  71.546  8.6740  -15.15879      13.25212 
1 1 1 -12 31  30 o 21.124  8.8855  27.415     77.377   72.570     99.545   -41.5163   122.991  25.830  10.382  21.820  10.050  4.009979       14.44939 
1 1 1 -12 31  31 o 19.868  8.9363  -16.2790   90.233   -14.4683   97.851   -26.5676   233.249  20.711  9.3116  28.967  13.512  -8.256561      16.40976 
1 1 1 -12 31  32 o 38.268  16.421  258.118    273.444  0.0000     0.0000   258.118    273.444  ?       ?       38.268  16.421  0.000000       16.42085 
1 1 1 -12 31  33 o 38.449  12.822  245.844    140.230  0.0000     0.0000   245.844    140.230  ?       ?       38.449  12.822  0.000000       12.82224 
1 1 1 -12 31  34 o 26.705  9.4587  99.261     76.687   63.245     95.019   166.555    129.881  24.612  10.051  32.595  12.191  -7.983200      15.80030 
1 1 1 -12 32  1  o 56.982  4.5339  400.238    62.167   361.611    85.105   444.431    91.029   53.636  6.6843  59.623  6.3919  -5.986145      9.248642 
1 1 1 -12 32  2  o 26.553  7.1270  90.748     46.879   72.231     60.713   118.086    73.772   24.783  8.4364  30.378  9.2093  -5.595236      12.48934 
1 1 1 -12 32  3  o 31.460  6.4143  126.953    47.303   110.182    63.897   147.290    70.362   29.241  8.4988  33.554  8.6019  -4.313627      12.09227 
1 1 1 -12 32  4  o 70.950  4.6679  620.877    79.911   600.742    122.934  635.611    105.160  68.914  7.4716  71.373  6.1318  -2.459351      9.665575 
1 1 1 -12 32  5  o 21.480  7.0411  55.747     42.353   54.686     55.483   57.228     65.563   22.377  8.0326  23.510  8.6875  -1.133011      11.83199 
1 1 1 -12 32  6  o 20.104  6.8934  46.757     40.539   104.942    53.076   -34.7191   62.807   28.392  7.5672  16.125  7.3334  12.26723       10.53760 
1 1 1 -12 32  7  o 14.672  6.2754  0.0027     39.704   -4.0353    53.139   5.1060     59.739   16.586  7.1784  18.251  7.7489  -1.665224      10.56292 
1 1 1 -12 32  8  o 52.045  6.4956  343.327    80.242   370.829    94.219   270.712    153.099  53.785  7.4169  43.953  13.254  9.831619       15.18806 
1 1 1 -12 32  9  o 75.566  5.9897  715.771    108.924  718.753    132.028  709.414    192.742  75.130  7.3361  72.381  11.348  2.748734       13.51243 
1 1 1 -12 32  10 f 32.522  8.4245  140.540    67.012   138.405    77.550   146.834    133.150  32.238  9.3608  34.352  12.429  -2.113216      15.55969 
1 1 1 -12 32  11 o 66.722  6.1072  561.140    97.777   569.380    116.048  540.975    181.534  66.696  7.2895  62.057  12.488  4.638985       14.46014 
1 1 1 -12 32  12 o 61.027  4.4727  462.011    65.768   385.947    91.646   542.782    94.439   54.840  7.0507  65.621  5.9975  -10.78172      9.256424 
1 1 1 -12 32  13 o 33.340  7.1883  145.968    56.439   138.686    88.991   150.868    72.997   32.244  10.175  33.500  8.8486  -1.256493      13.48405 
1 1 1 -12 32  14 f 42.810  6.1269  234.133    61.829   202.487    92.113   260.082    83.411   38.466  9.8319  44.427  8.0334  -5.961239      12.69652 
1 1 1 -12 32  15 o 28.774  7.7360  109.823    55.179   129.919    84.920   95.138     72.591   31.241  9.9478  27.409  9.2253  3.832571       13.56703 
1 1 1 -12 32  16 o 41.609  6.3137  222.622    61.742   189.967    92.544   248.817    82.884   37.095  10.038  43.276  8.1933  -6.180897      12.95704 
1 1 1 -12 32  17 o 90.098  5.5996  1020.49    121.809  1151.53    243.950  976.966    140.589  91.170  11.267  87.513  6.6711  3.657257       13.09428 
1 1 1 -12 32  18 o 24.255  9.1931  62.594     74.396   200.794    146.691  14.737     86.322   37.587  13.100  21.796  9.2859  15.79087       16.05739 
1 1 1 -12 32  19 o 23.147  9.0860  50.341     74.513   204.050    147.965  -1.8827    86.247   37.593  13.154  20.727  9.0559  16.86548       15.96966 
1 1 1 -12 32  20 o 40.643  9.1599  228.653    88.169   340.645    169.064  186.815    103.334  46.606  13.900  36.098  10.890  10.50812       17.65729 
1 1 1 -12 32  21 o 42.712  6.6876  239.219    67.034   197.048    97.032   277.721    92.716   37.018  10.382  44.953  8.8153  -7.934380      13.61986 
1 1 1 -12 32  22 o 51.589  6.0616  343.887    74.429   303.921    102.916  387.711    107.769  46.533  9.4378  53.261  8.6348  -6.727806      12.79192 
1 1 1 -12 32  23 o 29.102  7.8763  116.495    56.974   88.724     86.916   137.419    75.443   26.725  9.9774  31.181  9.2818  -4.456018      13.62719 
1 1 1 -12 32  24 o 78.715  6.9337  815.964    131.079  815.964    131.079  0.0000     0.0000   78.715  6.9337  ?       ?       0.000000       6.933712 
1 1 1 -12 32  25 o 89.029  6.9482  1047.30    148.907  1047.30    148.907  0.0000     0.0000   89.029  6.9482  ?       ?       0.000000       6.948234 
1 1 1 -12 32  26 o 15.525  6.9605  -14.8739   54.260   33.903     84.135   -49.6077   70.998   22.132  9.2851  15.996  7.4592  6.136271       11.91017 
1 1 1 -12 32  27 o 20.192  8.6159  18.482     74.520   50.702     99.263   -23.1285   112.805  24.305  10.132  21.606  9.8270  2.698576       14.11504 
1 1 1 -12 32  28 o 12.294  6.0961  -147.2571  68.893   -232.1090  85.647   8.2813     115.958  12.571  6.3163  23.235  10.311  -10.66472      12.09227 
1 1 1 -12 32  29 o 56.743  7.5431  436.748    101.281  391.030    140.814  485.748    145.782  49.971  11.802  56.776  10.979  -6.805676      16.11924 
1 1 1 -12 32  30 o 42.333  11.009  275.198    114.149  254.740    128.600  351.186    247.848  39.760  12.181  41.956  16.539  -2.196228      20.54021 
1 1 1 -12 32  31 o 45.397  10.732  313.101    116.355  275.312    130.088  464.267    260.182  41.230  12.168  46.531  17.284  -5.301659      21.13745 
1 1 1 -12 32  32 o 37.607  12.522  235.095    133.750  0.0000     0.0000   235.095    133.750  ?       ?       37.607  12.522  0.000000       12.52159 
1 1 1 -12 32  33 o 22.774  8.8763  59.712     70.718   127.388    86.384   -77.8071   123.139  29.295  10.062  20.202  9.5464  9.092165       13.86979 
1 1 1 -12 33  1  o 35.341  5.8910  158.468    48.738   156.005    63.289   162.057    76.398   34.621  7.7296  35.082  8.9471  -0.4605141     11.82355 
1 1 1 -12 33  2  o 61.409  4.4616  465.426    66.024   428.430    88.905   510.922    98.590   58.382  6.3799  63.784  6.4593  -5.402222      9.078832 
1 1 1 -12 33  3  o 13.734  6.0561  -10.2835   39.378   -52.9585   50.281   57.404     63.325   13.050  6.1465  23.304  8.5500  -10.25315      10.53005 
1 1 1 -12 33  4  o 66.366  4.3169  543.310    69.136   544.241    95.098   542.267    100.689  65.919  6.0117  65.662  6.4012  0.2570190      8.781585 
1 1 1 -12 33  5  o 41.000  7.5427  218.151    72.272   342.021    84.638   -115.2932  138.866  51.810  6.9046  22.055  10.333  29.75507       12.42723 
1 1 1 -12 33  6  o 43.949  7.3246  249.496    75.359   328.176    87.421   21.919     148.678  50.532  7.3450  28.196  12.104  22.33562       14.15821 
1 1 1 -12 33  7  o 16.325  7.0115  -0.2957    49.933   -4.6090    55.540   17.891     114.044  16.862  7.3183  25.027  10.668  -8.165527      12.93716 
1 1 1 -12 33  8  o 89.296  5.9947  1000.26    129.132  1083.47    158.751  837.535    222.001  92.327  7.1419  77.868  12.146  14.45828       14.09027 
1 1 1 -12 33  9  o 44.449  7.0745  255.362    73.743   251.559    85.260   266.654    146.928  43.616  8.3605  43.202  12.974  0.4143944      15.43473 
1 1 1 -12 33  10 o 30.755  6.5789  123.362    47.610   -8.7390    66.432   262.858    68.266   18.090  7.9247  45.333  6.3830  -27.24215      10.17563 
1 1 1 -12 33  11 o 28.035  7.7013  103.850    53.997   204.169    79.914   19.570     73.246   39.017  8.6666  20.861  8.7009  18.15524       12.28074 
1 1 1 -12 33  12 o 37.972  6.6773  186.979    59.276   74.897     85.937   288.697    81.868   26.287  9.9000  47.091  7.4097  -20.80396      12.36578 
1 1 1 -12 33  13 o 45.758  6.0117  266.940    65.131   219.546    98.777   303.395    86.632   39.836  10.181  48.150  7.6726  -8.313866      12.74831 
1 1 1 -12 33  14 o 45.776  6.2894  268.657    68.012   295.030    102.767  248.104    90.722   46.598  9.4132  42.823  9.0162  3.775009       13.03457 
1 1 1 -12 33  15 o 41.084  6.6357  218.909    63.895   366.685    94.362   93.787     86.829   52.968  7.5563  27.800  10.040  25.16790       12.56595 
1 1 1 -12 33  16 o 69.952  6.5848  626.918    110.450  638.121    209.931  622.630    129.879  65.308  13.686  68.924  7.9093  -3.616028      15.80691 
1 1 1 -12 33  17 o 40.291  8.5103  220.251    80.589   537.416    164.869  120.677    92.378   61.328  11.502  30.201  10.403  31.12692       15.50860 
1 1 1 -12 33  18 o 17.129  7.5437  -8.7232    60.915   61.116     153.431  -21.7913   66.369   29.233  12.415  17.078  7.6744  12.15462       14.59584 
1 1 1 -12 33  19 o 49.483  5.9878  315.236    70.430   302.495    106.205  325.237    94.096   46.398  9.7439  49.116  8.1836  -2.717842      12.72456 
1 1 1 -12 33  20 o 61.807  5.4511  486.574    80.912   399.014    115.771  570.182    113.128  53.644  9.2270  65.830  7.1998  -12.18604      11.70361 
1 1 1 -12 33  21 f 87.511  4.8926  966.060    103.472  965.349    147.367  966.750    145.317  85.652  7.1564  85.821  7.0404  -0.1690521     10.03901 
1 1 1 -12 33  22 f 44.062  6.4700  255.848    67.113   256.090    98.438   255.637    91.740   42.055  9.8241  42.450  9.1744  -0.3945580     13.44186 
1 1 1 -12 33  23 o 55.116  8.5327  421.167    110.423  421.167    110.423  0.0000     0.0000   55.116  8.5327  ?       ?       0.000000       8.532687 
1 1 1 -12 33  24 o 42.234  9.8468  262.383    99.048   262.383    99.048   0.0000     0.0000   42.234  9.8468  ?       ?       0.000000       9.846800 
1 1 1 -12 33  25 o 21.709  8.6058  47.558     67.461   17.270     82.025   110.871    118.594  20.802  8.9609  29.006  11.438  -8.203987      14.53025 
1 1 1 -12 33  26 o 11.910  5.9136  -144.2634  65.691   -253.2218  78.465   111.079    120.118  11.326  5.7314  29.010  11.489  -17.68336      12.83890 
1 1 1 -12 33  27 o 34.792  9.5804  179.165    83.443   21.028     108.500  408.103    130.549  23.198  10.146  51.982  10.707  -28.78368      14.75038 
1 1 1 -12 33  28 o 33.843  10.954  175.981    102.650  161.361    113.741  240.173    238.331  32.498  11.518  37.034  15.587  -4.536316      19.38095 
1 1 1 -12 33  29 o 28.281  10.839  107.463    104.152  59.832     116.364  299.324    233.546  25.798  10.876  39.486  15.891  -13.68813      19.25635 
1 1 1 -12 33  30 o 25.887  10.101  82.599     91.661   98.058     99.615   -2.7806    234.100  27.354  10.570  29.014  13.535  -1.660679      17.17310 
1 1 1 -12 33  31 o 53.952  11.888  466.023    151.433  0.0000     0.0000   466.023    151.433  ?       ?       53.952  11.888  0.000000       11.88844 
1 1 1 -12 33  32 o 56.358  6.8891  430.683    92.245   361.479    115.493  552.614    153.303  48.781  10.091  59.498  11.025  -10.71779      14.94549 
1 1 1 -12 34  1  o 23.381  7.1635  69.108     44.475   123.924    58.013   -9.0459    69.270   30.740  7.7730  18.580  8.1169  12.15964       11.23852 
1 1 1 -12 34  2  o 58.969  4.5538  430.664    64.652   369.741    87.132   505.299    96.440   53.922  6.8116  63.322  6.3629  -9.400410      9.321175 
1 1 1 -12 34  3  o 30.277  8.4265  120.858    64.176   151.712    72.909   14.705     135.236  33.760  8.8078  26.762  11.517  6.998386       14.49913 
1 1 1 -12 34  4  o 49.719  6.7079  315.552    78.857   360.364    91.222   183.041    156.865  52.961  7.2920  37.557  13.504  15.40465       15.34688 
1 1 1 -12 34  5  o 14.007  6.4323  -33.3731   49.878   -20.9204   55.972   -81.4025   109.924  15.797  7.0766  20.050  9.3268  -4.253344      11.70758 
1 1 1 -12 34  6  o 97.413  5.9589  1190.65    140.169  1183.74    171.620  1204.49    242.927  96.275  7.4034  94.570  10.779  1.705444       13.07682 
1 1 1 -12 34  7  o 53.907  6.6454  371.328    85.081   365.679    100.711  385.408    159.010  52.859  8.1112  51.799  12.740  1.060379       15.10273 
1 1 1 -12 34  8  f 43.744  5.2416  241.187    54.527   195.184    73.237   298.404    81.677   38.313  8.1298  47.983  7.2406  -9.669617      10.88669 
1 1 1 -12 34  9  o 31.482  7.7188  131.810    58.509   121.902    84.676   140.863    80.940   30.448  9.9547  32.297  9.6140  -1.848518      13.83929 
1 1 1 -12 34  10 o 17.077  7.1978  7.9829     50.943   28.928     72.731   -12.1885   71.376   21.453  8.7810  18.484  8.1519  2.968733       11.98168 
1 1 1 -12 34  11 o 25.962  8.0483  87.726     55.953   56.170     79.856   118.158    78.421   24.238  9.4364  29.868  9.5648  -5.629679      13.43616 
1 1 1 -12 34  12 o 50.693  5.7592  326.189    69.583   363.741    100.007  290.952    96.877   52.501  8.1120  46.467  8.9167  6.034569       12.05455 
1 1 1 -12 34  13 o 17.555  7.3425  11.836     52.366   166.984    84.223   -85.9398   66.861   34.790  9.6430  14.182  6.7943  20.60799       11.79615 
1 1 1 -12 34  14 o 29.226  9.0529  114.705    70.809   137.044    156.744  108.977    79.369   33.688  13.191  28.810  9.6467  4.878584       16.34233 
1 1 1 -12 34  15 o 18.327  7.8446  5.6789     62.130   73.300     150.055  -8.3123    68.255   29.789  12.442  18.182  7.9969  11.60758       14.78996 
1 1 1 -12 34  16 o 13.706  6.4422  -51.6496   54.742   -32.5575   134.324  -55.4520   59.946   23.796  10.784  14.356  6.7459  9.439703       12.72041 
1 1 1 -12 34  17 o 19.080  8.0615  13.845     64.155   130.788    157.091  -9.5634    70.284   32.712  13.079  18.267  8.0709  14.44513       15.36893 
1 1 1 -12 34  18 o 27.754  7.9819  105.056    56.629   -6.5325    90.598   176.608    72.547   20.690  9.1515  35.699  8.4978  -15.00824      12.48852 
1 1 1 -12 34  19 o 53.496  5.7030  368.088    72.885   282.146    109.235  437.052    97.852   43.973  10.401  57.438  7.1778  -13.46532      12.63725 
1 1 1 -12 34  20 o 92.187  4.7708  1072.20    106.349  1158.45    149.421  983.653    151.399  94.236  6.5760  86.097  7.3166  8.139168       9.837491 
1 1 1 -12 34  21 o 56.868  5.5228  416.480    75.245   382.291    110.076  446.468    103.091  52.078  9.0390  57.503  7.5728  -5.425434      11.79197 
1 1 1 -12 34  22 o 39.639  10.372  236.536    100.909  236.536    100.909  0.0000     0.0000   39.639  10.372  ?       ?       0.000000       10.37193 
1 1 1 -12 34  23 o 39.630  10.136  236.116    97.858   236.116    97.858   0.0000     0.0000   39.630  10.136  ?       ?       0.000000       10.13630 
1 1 1 -12 34  24 o 29.200  9.3859  123.876    75.463   107.573    93.185   154.935    128.624  27.881  10.346  31.922  12.090  -4.040277      15.91311 
1 1 1 -12 34  25 o 44.122  8.0505  272.263    83.011   171.613    106.012  431.782    133.461  33.210  11.149  53.351  10.682  -20.14122      15.44035 
1 1 1 -12 34  26 o 51.826  6.9830  362.145    85.577   312.518    109.184  441.190    137.798  45.670  10.119  53.680  10.950  -8.009930      14.90996 
1 1 1 -12 34  27 o 39.426  11.153  244.415    111.472  184.352    125.206  474.018    244.799  34.000  12.081  47.188  16.880  -13.18792      20.75772 
1 1 1 -12 34  28 o 29.324  11.032  122.773    106.662  142.185    117.570  32.479     253.563  30.897  11.591  30.480  14.174  0.4173012      18.30979 
1 1 1 -12 34  29 o 27.386  9.6553  106.436    79.818   79.937     101.679  148.983    128.844  26.023  10.481  31.324  12.044  -5.301514      15.96558 
1 1 1 -12 34  30 o 21.402  9.9080  -37.4280   121.802  0.0000     0.0000   -37.4280   121.802  ?       ?       21.402  9.9080  0.000000       9.908048 
1 1 1 -12 34  31 o 13.720  6.6236  -85.0114   66.504   -101.3594  82.935   -55.5663   111.304  15.256  7.3733  19.703  9.2371  -4.446974      11.81902 
1 1 1 -12 35  1  o 36.492  7.6991  175.028    66.027   202.449    75.783   88.617     134.529  39.128  8.2424  30.596  12.145  8.532415       14.67785 
1 1 1 -12 35  2  o 77.263  6.0170  750.501    111.913  691.869    134.328  883.547    202.348  73.379  7.6573  81.134  10.527  -7.755478      13.01708 
1 1 1 -12 35  3  o 85.274  5.9118  913.220    121.566  918.936    147.846  901.290    213.597  84.824  7.2531  81.390  11.106  3.434357       13.26441 
1 1 1 -12 35  4  o 41.660  7.6972  227.850    74.940   208.648    86.354   286.427    150.826  39.267  9.2207  44.489  13.094  -5.221619      16.01466 
1 1 1 -12 35  5  o 54.264  6.4801  375.927    83.634   365.720    97.775   403.756    161.447  52.917  7.8532  52.895  12.732  0.2222824E-01  14.95955 
1 1 1 -12 35  6  o 55.932  4.7303  390.352    63.595   336.938    84.965   458.397    95.899   51.076  7.0432  59.846  6.7203  -8.769558      9.734952 
1 1 1 -12 35  7  o 64.712  5.9214  529.662    91.945   807.270    163.188  400.544    111.292  78.274  8.7415  54.941  8.6331  23.33331       12.28592 
1 1 1 -12 35  8  o 50.834  5.8524  328.210    70.868   298.181    104.697  353.603    96.277   46.773  9.5483  51.889  7.8959  -5.116196      12.39017 
1 1 1 -12 35  9  o 58.270  5.1602  426.397    72.204   452.406    99.888   397.935    104.492  59.174  7.0986  54.969  8.0750  4.205269       10.75156 
1 1 1 -12 35  10 o 25.013  8.1214  80.217     56.395   16.680     83.181   134.266    76.719   21.615  9.1587  31.437  9.3605  -9.821337      13.09582 
1 1 1 -12 35  11 o 69.830  5.2347  612.759    88.049   641.306    117.764  576.572    132.591  70.529  6.9728  65.932  8.4850  4.596924       10.98246 
1 1 1 -12 35  12 o 80.265  6.4155  823.444    123.900  759.575    215.062  855.174    151.584  72.044  12.770  80.827  7.8272  -8.783455      14.97825 
1 1 1 -12 35  13 o 20.955  8.4454  33.816     66.070   51.364     148.884  29.513     73.727   28.591  12.188  21.398  8.8092  7.193237       15.03855 
1 1 1 -12 35  14 o 44.567  8.0458  267.141    83.805   169.451    174.871  296.266    95.484   35.535  13.928  46.585  8.7691  -11.04958      16.45881 
1 1 1 -12 35  15 o 40.033  8.6052  220.613    81.100   169.367    175.186  234.590    91.494   35.258  13.902  40.872  9.4192  -5.614315      16.79282 
1 1 1 -12 35  16 f 17.887  7.4230  17.013     52.931   163.679    87.695   -67.0397   66.388   33.797  9.9949  14.735  6.9768  19.06171       12.18906 
1 1 1 -12 35  17 o 19.556  7.7504  33.792     54.703   95.194     89.637   -2.6481    69.053   27.361  10.149  18.416  8.0731  8.944609       12.96799 
1 1 1 -12 35  18 o 42.727  6.5025  241.154    65.287   288.738    98.842   204.325    86.957   45.038  9.3508  37.626  9.5179  7.411907       13.34268 
1 1 1 -12 35  19 o 32.244  7.6468  143.859    58.921   85.971     88.957   189.104    78.645   26.315  10.034  36.342  8.9724  -10.02724      13.46022 
1 1 1 -12 35  20 o 31.109  7.8948  135.689    59.693   97.457     91.173   164.371    78.971   27.181  10.205  33.541  9.3520  -6.360250      13.84186 
1 1 1 -12 35  21 o 29.667  10.617  128.050    96.856   128.050    96.856   0.0000     0.0000   29.667  10.617  ?       ?       0.000000       10.61695 
1 1 1 -12 35  22 o 29.367  10.476  126.161    94.229   126.161    94.229   0.0000     0.0000   29.367  10.476  ?       ?       0.000000       10.47599 
1 1 1 -12 35  23 o 29.161  8.8405  123.446    67.981   159.864    84.819   58.033     113.675  32.542  9.8769  25.304  10.713  7.237837       14.57158 
1 1 1 -12 35  24 o 17.288  7.7256  -10.4011   66.263   -9.7363    81.271   -11.7196   114.446  19.025  8.5248  21.946  9.9494  -2.920961      13.10201 
1 1 1 -12 35  25 f 31.296  10.422  148.922    92.659   140.015    98.507   217.340    273.007  30.472  10.728  35.595  15.808  -5.122932      19.10459 
1 1 1 -12 35  26 o 18.402  8.4407  -31.9434   85.541   -44.6482   90.382   77.226     264.940  18.361  8.5124  31.691  14.651  -13.32955      16.94400 
1 1 1 -12 35  27 o 26.852  10.851  88.133     109.395  88.133     109.395  0.0000     0.0000   26.852  10.851  ?       ?       0.000000       10.85124 
1 1 1 -12 35  28 o 42.998  8.2888  263.389    83.343   229.979    106.744  315.556    133.386  37.966  10.970  43.426  12.170  -5.460281      16.38504 
1 1 1 -12 35  29 o 56.808  10.772  503.012    143.044  0.0000     0.0000   503.012    143.044  ?       ?       56.808  10.772  0.000000       10.77170 
1 1 1 -12 36  1  o 95.958  6.0656  1159.71    140.502  1320.17    172.821  846.921    241.296  101.768 7.0421  76.683  13.459  25.08492       15.19038 
1 1 1 -12 36  2  o 33.634  8.3578  151.863    67.908   180.320    77.160   54.083     143.027  36.535  8.8071  28.899  12.114  7.636318       14.97714 
1 1 1 -12 36  3  o 24.468  7.3748  77.685     47.409   73.317     62.686   83.522     72.464   24.609  8.5644  26.192  9.2029  -1.582973      12.57142 
1 1 1 -12 36  4  o 86.550  4.5523  930.376    95.266   1082.82    137.698  790.417    131.938  92.515  6.1695  78.516  6.9989  13.99870       9.329907 
1 1 1 -12 36  5  o 92.508  4.6854  1064.51    104.827  1027.74    149.209  1100.35    147.306  89.606  6.9162  92.964  6.5728  -3.358078      9.541252 
1 1 1 -12 36  6  o 98.416  4.6553  1202.17    111.168  1219.62    158.201  1185.16    156.248  97.752  6.7106  96.345  6.7260  1.407280       9.501086 
1 1 1 -12 36  7  o 51.642  5.8648  339.425    72.186   283.640    110.615  380.804    95.268   45.054  10.338  53.994  7.4720  -8.939392      12.75536 
1 1 1 -12 36  8  o 34.494  8.6930  162.205    72.730   186.113    143.859  153.995    84.297   36.482  12.951  33.402  9.7770  3.079594       16.22748 
1 1 1 -12 36  9  o 60.049  5.4282  455.658    78.235   561.175    104.203  319.334    118.442  66.095  6.5853  47.608  10.532  18.48645       12.42153 
1 1 1 -12 36  10 o 33.771  9.2301  157.760    77.793   235.031    156.553  132.423    89.644   39.650  13.547  31.179  10.245  8.471157       16.98461 
1 1 1 -12 36  11 o 58.470  7.1149  446.279    98.859   335.908    179.136  494.613    118.545  45.943  14.427  60.897  8.2339  -14.95459      16.61115 
1 1 1 -12 36  12 o 25.028  9.2092  74.342     73.541   233.499    154.958  28.073     83.550   39.134  13.474  22.166  9.2730  16.96785       16.35657 
1 1 1 -12 36  13 o 58.894  7.2868  457.321    101.906  499.099    193.693  441.331    119.832  55.675  14.272  56.701  9.0116  -1.025803      16.87858 
1 1 1 -12 36  14 o 43.918  6.6773  253.979    68.913   173.260    102.834  319.778    92.845   34.423  10.945  48.497  8.1812  -14.07373      13.66501 
1 1 1 -12 36  15 o 34.550  7.5820  163.023    61.816   296.276    93.794   60.696     82.192   46.200  8.6857  24.148  9.5224  22.05205       12.88866 
1 1 1 -12 36  16 o 39.202  6.9887  206.329    64.038   278.717    97.114   150.638    85.181   44.190  9.3490  32.209  9.9214  11.98169       13.63227 
1 1 1 -12 36  17 o 45.436  6.2842  271.975    67.426   252.315    101.815  287.333    89.986   41.203  10.231  45.334  8.4926  -4.131870      13.29653 
1 1 1 -12 36  18 o 45.167  6.5491  271.614    69.681   480.140    106.132  113.621    92.381   59.490  7.5205  28.512  10.347  30.97795       12.79147 
1 1 1 -12 36  19 o 13.561  6.3144  -37.1908   50.587   32.020     86.410   -73.2791   62.397   22.023  9.3333  13.708  6.5662  8.315243       11.41165 
1 1 1 -12 36  20 f 26.756  9.9822  97.514     86.971   97.514     86.971   0.0000     0.0000   26.756  9.9822  ?       ?       0.000000       9.982164 
1 1 1 -12 36  21 o 25.294  10.117  75.960     94.033   75.960     94.033   0.0000     0.0000   25.294  10.117  ?       ?       0.000000       10.11705 
1 1 1 -12 36  22 o 31.016  9.1826  142.880    73.988   149.538    96.991   133.611    114.426  31.143  10.663  29.920  11.387  1.222607       15.59960 
1 1 1 -12 36  23 f 27.570  8.9150  110.047    68.003   87.241     84.689   151.439    114.096  25.709  9.7930  31.195  11.472  -5.485689      15.08326 
1 1 1 -12 36  24 o 36.930  10.665  214.435    100.907  268.847    108.119  -153.1066  281.001  41.466  10.681  27.263  13.269  14.20346       17.03389 
1 1 1 -12 36  25 o 42.453  10.605  280.382    108.920  251.798    117.463  455.727    290.926  39.282  11.553  43.054  17.585  -3.772083      21.04120 
1 1 1 -12 36  26 o 47.909  7.2020  314.840    81.130   300.827    104.678  335.920    128.387  44.575  9.9325  45.464  11.600  -0.8890190     15.27161 
1 1 1 -12 36  27 o 34.530  9.7639  183.307    85.455   159.197    106.413  227.093    143.403  31.587  11.147  35.785  12.906  -4.197802      17.05362 
1 1 1 -12 36  28 o 40.076  12.251  281.488    130.163  0.0000     0.0000   281.488    130.163  ?       ?       40.076  12.251  0.000000       12.25103 
1 1 1 -12 37  1  o 17.047  6.7746  21.670     41.904   -14.5644   53.027   81.925     68.381   15.658  6.9598  25.762  8.9461  -10.10348      11.33454 
1 1 1 -12 37  2  o 39.426  7.3748  204.973    67.957   220.839    94.359   187.874    97.954   39.925  9.8105  36.645  10.486  3.280605       14.35953 
1 1 1 -12 37  3  o 38.512  7.3501  195.875    66.179   105.921    94.721   281.661    92.500   29.143  10.492  45.749  8.6498  -16.60582      13.59772 
1 1 1 -12 37  4  o 125.344 4.7021  1953.09    143.008  2072.30    200.928  1830.71    203.585  127.569 6.5130  119.393 7.0589  8.175873       9.604522 
1 1 1 -12 37  5  o 52.254  5.9840  348.659    74.504   361.129    111.017  338.441    100.496  51.547  9.2142  50.231  8.5518  1.315857       12.57121 
1 1 1 -12 37  6  o 84.716  4.8574  897.419    99.429   987.175    139.957  805.958    141.280  87.768  6.6207  78.675  7.4913  9.093102       9.997643 
1 1 1 -12 37  7  o 59.883  6.5396  462.015    93.476   477.559    177.537  456.053    109.950  56.223  13.234  58.721  7.9188  -2.498161      15.42213 
1 1 1 -12 37  8  o 14.142  6.6545  -55.8635   58.675   -128.2600  131.689  -37.9313   65.540   20.349  9.6902  16.078  7.3797  4.271053       12.18026 
1 1 1 -12 37  9  o 35.093  9.0830  171.385    77.941   199.430    148.305  160.683    91.612   36.874  13.144  33.706  10.273  3.167763       16.68184 
1 1 1 -12 37  10 o 34.890  9.1262  170.359    78.143   -42.3815   150.184  249.334    91.505   24.553  11.233  42.311  9.1772  -17.75825      14.50538 
1 1 1 -12 37  11 o 40.083  8.9019  223.856    84.324   245.288    167.981  216.636    97.499   39.394  13.994  38.708  10.227  0.6854553      17.33312 
1 1 1 -12 37  12 o 34.281  9.3527  167.340    79.957   161.721    107.050  174.431    120.251  33.320  11.203  34.352  11.867  -1.032291      16.31985 
1 1 1 -12 37  13 o 47.878  6.1745  299.180    70.058   399.022    100.787  205.840    97.450   54.282  7.8826  37.338  10.381  16.94448       13.03454 
1 1 1 -12 37  14 o 15.549  6.9210  -11.4007   52.624   -42.7972   79.903   12.649     69.932   17.486  8.0704  19.416  8.3171  -1.929777      11.58908 
1 1 1 -12 37  15 o 25.714  8.4926  90.383     61.571   127.549    95.247   63.703     80.699   29.842  10.544  24.033  9.4487  5.808947       14.15848 
1 1 1 -12 37  16 o 41.767  6.9585  235.739    68.039   248.818    103.137  225.662    90.533   40.504  10.431  39.122  9.6075  1.382374       14.18135 
1 1 1 -12 37  17 o 20.438  7.9529  44.110     56.700   -11.3934   94.152   75.693     71.023   20.274  9.1228  24.319  9.0310  -4.044497      12.83684 
1 1 1 -12 37  18 o 17.146  7.1980  15.484     50.617   -26.1441   81.642   41.476     64.512   18.209  8.3121  20.779  8.3555  -2.570415      11.78583 
1 1 1 -12 37  19 o 13.602  6.6966  -139.4361  78.018   -139.4361  78.018   0.0000     0.0000   13.602  6.6966  ?       ?       0.000000       6.696614 
1 1 1 -12 37  20 o 22.146  9.4836  32.625     90.878   32.625     90.878   0.0000     0.0000   22.146  9.4836  ?       ?       0.000000       9.483606 
1 1 1 -12 37  21 o 23.569  8.8859  70.986     69.273   42.221     89.805   113.249    108.854  22.637  9.5498  28.225  11.009  -5.587358      14.57407 
1 1 1 -12 37  22 o 40.877  11.038  268.451    112.041  305.204    122.114  72.852     281.711  43.262  11.453  31.229  14.658  12.03327       18.60192 
1 1 1 -12 37  23 o 45.417  10.182  315.960    109.432  241.561    117.627  794.791    298.409  38.184  11.641  57.189  18.687  -19.00501      22.01626 
1 1 1 -12 37  24 o 35.995  10.955  208.554    104.241  196.829    111.676  287.920    290.547  34.646  11.437  36.795  16.326  -2.149754      19.93370 
1 1 1 -12 37  25 o 30.187  9.1200  136.527    72.439   120.845    92.405   161.529    116.679  28.447  10.345  31.612  11.605  -3.165272      15.54604 
1 1 1 -12 37  26 o 55.613  6.7671  421.466    89.432   424.516    118.013  417.353    137.069  53.193  9.4916  50.498  11.450  2.694614       14.87287 
1 1 1 -12 37  27 o 38.496  13.294  285.821    150.894  0.0000     0.0000   285.821    150.894  ?       ?       38.496  13.294  0.000000       13.29377 
1 1 1 -12 38  1  o 38.399  7.2813  195.014    65.358   186.646    95.133   202.494    89.945   36.430  10.302  38.134  9.6985  -1.703587      14.14913 
1 1 1 -12 38  2  o 29.834  8.1531  120.327    60.702   97.581     89.421   139.767    82.667   28.089  10.182  31.879  9.7663  -3.790272      14.10868 
1 1 1 -12 38  3  o 33.035  8.1660  148.162    65.083   118.502    93.577   175.953    90.580   30.012  10.463  35.392  10.068  -5.379929      14.52027 
1 1 1 -12 38  4  o 27.895  8.6048  104.437    64.048   79.761     96.457   123.897    85.657   26.954  10.405  30.265  10.018  -3.311096      14.44379 
1 1 1 -12 38  5  o 74.405  6.5367  712.565    116.816  651.557    196.078  746.133    145.445  66.280  12.654  75.016  8.1202  -8.736259      15.03515 
1 1 1 -12 38  6  o 28.532  9.4707  109.165    76.535   163.164    138.043  85.200     91.964   34.271  12.616  27.002  10.224  7.268999       16.23893 
1 1 1 -12 38  7  o 13.433  6.5053  -97.4800   65.340   141.508    129.788  -178.6134  75.622   32.490  12.180  12.568  6.2573  19.92248       13.69327 
1 1 1 -12 38  8  o 49.602  8.1449  332.740    94.623   344.297    174.519  327.927    112.612  45.932  14.210  48.046  9.9856  -2.114105      17.36754 
1 1 1 -12 38  9  o 50.561  7.8689  344.575    93.397   353.983    177.839  340.993    109.751  46.133  14.356  49.190  9.5395  -3.057682      17.23673 
1 1 1 -12 38  10 o 33.952  7.9701  159.146    64.534   241.915    92.307   80.014     90.256   41.179  9.4399  26.136  10.072  15.04308       13.80413 
1 1 1 -12 38  11 o 25.629  8.3228  88.934     59.226   46.885     84.757   129.059    82.794   23.214  9.4879  30.106  9.8435  -6.892063      13.67169 
1 1 1 -12 38  12 o 15.448  6.9465  -16.8526   54.483   -39.5871   78.776   3.9924     75.432   17.468  8.0446  19.421  8.4776  -1.953255      11.68697 
1 1 1 -12 38  13 o 18.946  7.6893  28.543     55.186   91.617     84.302   -18.7546   73.001   26.449  9.8357  17.763  8.0090  8.686172       12.68403 
1 1 1 -12 38  14 o 19.042  7.7088  30.103     55.315   0.1811     86.841   50.532     71.755   20.217  8.9502  22.223  8.8545  -2.005098      12.59002 
1 1 1 -12 38  15 o 61.188  5.5534  486.499    81.551   485.943    119.229  486.988    111.791  58.551  8.6530  59.232  7.9816  -0.6802788     11.77201 
1 1 1 -12 38  16 o 16.173  7.0869  -0.8988    53.163   -129.4832  83.496   86.774     68.945   14.560  7.1185  25.157  8.9623  -10.59680      11.44538 
1 1 1 -12 38  17 o 33.515  9.3728  169.549    79.199   125.922    114.295  209.846    109.845  29.204  11.312  35.820  11.304  -6.616524      15.99169 
1 1 1 -12 38  18 o 28.269  9.1243  118.438    71.259   152.391    96.804   78.279     105.279  31.121  10.652  25.702  10.548  5.419670       14.99084 
1 1 1 -12 38  19 o 16.522  7.7762  -57.3682   80.226   -57.3682   80.226   0.0000     0.0000   16.522  7.7762  ?       ?       0.000000       7.776223 
1 1 1 -12 38  20 o 21.282  8.6063  45.730     68.864   69.276     90.723   13.722     105.779  24.375  9.8709  22.110  9.8286  2.265394       13.92965 
1 1 1 -12 38  21 o 39.996  11.226  262.206    113.392  267.625    126.664  240.337    254.454  39.490  12.087  35.021  15.421  4.469936       19.59373 
1 1 1 -12 38  22 o 22.478  9.7520  30.466     98.540   -6.6224    105.808  272.949    270.544  21.200  9.5928  36.048  15.886  -14.84804      18.55751 
1 1 1 -12 38  23 o 33.866  9.0577  172.444    75.878   192.150    94.975   137.674    126.160  34.734  10.431  29.895  11.795  4.838272       15.74573 
1 1 1 -12 38  24 o 36.322  8.4066  193.602    72.624   349.690    92.623   -55.5061   117.011  49.568  7.9712  20.085  9.4337  29.48302       12.35047 
1 1 1 -12 38  25 o 32.377  9.0563  160.368    73.933   143.710    94.760   186.285    118.196  29.933  10.523  32.823  11.730  -2.889481      15.75890 
1 1 1 -12 38  26 o 30.414  11.968  160.446    129.596  0.0000     0.0000   160.446    129.596  ?       ?       30.414  11.968  0.000000       11.96848 
1 1 1 -12 39  1  o 37.462  7.1987  186.482    63.057   171.204    97.894   197.316    82.438   34.704  10.627  37.709  9.1115  -3.005463      13.99834 
1 1 1 -12 39  2  o 52.053  6.0613  348.369    75.121   227.979    105.247  473.398    107.256  39.747  10.683  59.915  7.5450  -20.16810      13.07887 
1 1 1 -12 39  3  o ?       ?       -749.9996  25.785   -650.2315  57.108   -775.5462  28.898   ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 39  4  o 34.790  9.4496  170.773    81.834   109.474    150.920  196.301    97.395   31.244  12.703  36.873  10.423  -5.628643      16.43166 
1 1 1 -12 39  5  o 34.566  9.3980  169.085    80.897   51.296     144.625  222.721    97.592   27.871  11.950  39.301  10.160  -11.43015      15.68530 
1 1 1 -12 39  6  o 19.456  8.3672  8.7677     71.282   52.830     140.739  -6.4351    82.669   27.591  11.808  19.806  8.7522  7.784477       14.69823 
1 1 1 -12 39  7  o 44.158  8.5937  270.337    88.765   486.601    159.222  172.814    106.922  56.658  11.958  34.183  11.187  22.47556       16.37453 
1 1 1 -12 39  8  o 89.119  4.8888  1004.38    105.311  1065.52    143.904  933.876    154.526  90.307  6.6133  83.457  7.7183  6.849792       10.16406 
1 1 1 -12 39  9  o 26.147  8.6092  93.371     63.291   184.329    86.031   -13.9329   93.442   35.497  9.7086  20.336  9.1246  15.16062       13.32344 
1 1 1 -12 39  10 o 14.962  6.7838  -21.1526   53.221   -49.5657   78.618   2.8839     72.310   16.957  7.8879  18.963  8.2885  -2.006327      11.44193 
1 1 1 -12 39  11 o 36.037  7.5914  180.036    64.283   199.516    93.530   162.596    88.498   36.343  10.193  32.928  10.108  3.414631       14.35512 
1 1 1 -12 39  12 o 17.736  7.4246  17.609     53.612   -33.1512   77.987   63.091     73.822   17.521  8.0449  23.347  9.0775  -5.825792      12.12934 
1 1 1 -12 39  13 o 84.981  5.1234  928.204    105.150  1310.54    148.364  542.342    149.047  99.812  6.1561  59.600  10.700  40.21158       12.34434 
1 1 1 -12 39  14 o 28.514  8.5534  118.396    63.885   207.395    97.987   52.596     84.254   36.283  10.518  22.984  9.4344  13.29891       14.12959 
1 1 1 -12 39  15 o 29.966  9.1667  134.707    72.859   171.319    98.453   90.379     108.331  32.741  10.735  26.575  10.778  6.166588       15.21210 
1 1 1 -12 39  16 o 25.994  9.3729  96.534     75.627   94.531     108.359  98.437     105.601  26.729  10.800  26.898  10.734  -0.1687107     15.22728 
1 1 1 -12 39  17 o 29.415  9.2542  131.133    73.670   169.256    102.172  89.852     106.322  32.228  10.944  26.286  10.671  5.942907       15.28576 
1 1 1 -12 39  18 o 69.298  8.1407  683.368    134.275  683.368    134.275  0.0000     0.0000   69.298  8.1407  ?       ?       0.000000       8.140656 
1 1 1 -12 39  19 o 26.801  10.401  101.682    96.782   53.042     105.895  348.366    238.477  24.040  10.264  38.710  15.879  -14.67003      18.90766 
1 1 1 -12 39  20 o 46.287  10.855  343.470    119.809  501.478    134.401  -267.9361  264.379  57.266  10.039  24.242  12.007  33.02387       15.65024 
1 1 1 -12 39  21 o 29.968  10.635  141.558    96.994   225.743    104.381  -390.8761  262.505  37.135  10.882  22.609  11.318  14.52550       15.70116 
1 1 1 -12 39  22 o 37.536  8.8181  210.565    78.950   183.900    101.863  250.683    124.942  33.380  10.919  37.769  12.071  -4.389069      16.27616 
1 1 1 -12 39  23 o 29.444  9.1475  132.947    72.235   81.847     92.297   213.724    116.045  25.000  10.015  35.010  11.664  -10.00974      15.37337 
1 1 1 -12 39  24 o 18.213  8.4728  -36.3802   90.727   17.759     181.503  -54.4139   104.754  25.605  11.936  18.803  8.8606  6.802572       14.86494 
1 1 1 -12 40  1  o 33.043  9.0791  153.163    75.036   74.358     148.210  180.325    87.011   29.205  12.292  35.546  9.7810  -6.341410      15.70823 
1 1 1 -12 40  2  o 25.977  9.1947  86.555     72.454   180.144    155.822  60.738     81.840   35.190  13.312  24.245  9.5206  10.94426       16.36658 
1 1 1 -12 40  3  o 56.526  7.2546  423.840    97.205   394.387    169.393  438.301    118.692  49.329  13.676  56.276  8.9952  -6.947342      16.36939 
1 1 1 -12 40  4  o 50.223  8.0137  342.903    94.374   312.909    170.675  356.112    113.265  43.234  14.133  50.023  9.6816  -6.789085      17.13103 
1 1 1 -12 40  5  o 19.431  7.9341  27.769     59.199   133.930    91.957   -47.3659   77.362   30.622  10.383  16.998  7.8787  13.62422       13.03371 
1 1 1 -12 40  6  o 26.453  8.6583  96.022     64.051   4.7020     94.300   174.236    87.271   21.373  9.4002  34.425  9.9113  -13.05154      13.66011 
1 1 1 -12 40  7  o 51.209  6.4166  346.106    77.978   473.981    113.730  232.661    107.121  58.624  8.2214  38.968  10.901  19.65567       13.65403 
1 1 1 -12 40  8  o 36.290  7.6614  182.781    65.343   158.357    92.276   207.346    92.542   32.454  10.373  37.188  10.027  -4.733627      14.42745 
1 1 1 -12 40  9  o 36.299  7.6616  183.717    65.360   149.069    91.771   219.384    93.110   31.442  10.367  38.171  9.9510  -6.729122      14.37036 
1 1 1 -12 40  10 o 26.291  8.5702  97.767     62.778   151.478    86.369   37.608     91.407   31.618  10.029  22.637  9.5968  8.981075       13.88056 
1 1 1 -12 40  11 o 30.294  8.1368  132.217    61.079   188.928    84.239   69.357     88.689   35.332  9.5835  24.471  9.8121  10.86139       13.71567 
1 1 1 -12 40  12 o 9.7505  4.8614  -111.7846  46.306   -20.1187   73.849   -171.1773  59.444   17.518  7.9612  10.309  5.1903  7.208961       9.503633 
1 1 1 -12 40  13 o 28.260  9.0462  119.098    70.154   97.922     93.528   146.339    106.078  26.509  10.242  30.363  11.077  -3.854137      15.08674 
1 1 1 -12 40  14 o 53.713  6.4087  389.820    81.875   414.568    109.505  358.446    123.296  53.184  8.7931  47.056  10.996  6.127617       14.07978 
1 1 1 -12 40  15 o 20.399  8.4797  35.874     69.241   78.035     94.697   -12.5619   101.499  24.926  10.088  20.377  9.2887  4.548931       13.71298 
1 1 1 -12 40  16 o 27.986  9.1207  118.455    71.103   151.232    94.861   76.430     107.413  30.629  10.542  25.306  10.544  5.323044       14.91049 
1 1 1 -12 40  17 o 57.589  11.293  541.116    152.167  541.116    152.167  0.0000     0.0000   57.589  11.293  ?       ?       0.000000       11.29327 
1 1 1 -12 40  18 o 27.929  10.566  118.486    98.159   72.100     107.374  354.463    242.182  25.058  10.500  38.315  15.887  -13.25640      19.04348 
1 1 1 -12 40  19 o 38.400  11.361  249.615    113.279  249.252    125.911  251.158    259.487  37.492  12.132  34.443  15.347  3.048378       19.56301 
1 1 1 -12 40  20 o 25.240  8.9833  91.812     69.252   158.916    92.062   4.3505     105.104  31.372  10.386  21.368  9.6246  10.00373       14.15975 
1 1 1 -12 40  21 o 19.880  8.4146  29.109     70.095   35.627     96.290   21.761     102.236  22.232  9.6426  21.900  9.7024  0.3316231      13.67900 
1 1 1 -12 40  22 o 41.175  7.9212  246.851    76.265   238.712    99.339   258.536    119.019  38.015  10.447  38.076  11.727  -0.6040573E-01 15.70580 
1 1 1 -12 40  23 o 25.117  10.520  83.613     107.724  347.761    212.441  -7.8151    124.984  37.157  15.084  21.742  10.055  15.41463       18.12867 
1 1 1 -12 41  1  o 67.774  6.6588  602.108    108.088  657.438    193.879  577.156    130.199  64.997  12.749  64.912  8.4681  0.8485413E-01  15.30503 
1 1 1 -12 41  2  o 50.445  6.1728  332.549    73.978   320.247    109.976  342.715    99.979   46.964  9.9597  49.643  8.6124  -2.679180      13.16698 
1 1 1 -12 41  3  o 24.118  8.2617  76.638     58.228   199.072    92.600   -3.4308    74.885   36.628  10.095  18.913  8.3449  17.71551       13.09757 
1 1 1 -12 41  4  o 22.578  8.3136  62.098     59.949   126.537    91.131   12.938     79.597   29.663  10.326  20.344  8.7952  9.319674       13.56407 
1 1 1 -12 41  5  f 22.843  8.5318  63.271     63.569   177.331    98.024   -19.5122   83.510   34.053  10.669  18.877  8.5339  15.17525       13.66181 
1 1 1 -12 41  6  o 37.959  7.7018  200.792    68.512   152.638    101.112  241.666    93.156   31.645  10.885  40.341  9.6472  -8.695969      14.54462 
1 1 1 -12 41  7  o 17.973  7.7122  11.046     60.313   47.740     91.294   -17.3720   80.342   23.268  9.7100  18.515  8.3702  4.752441       12.81972 
1 1 1 -12 41  8  o 35.587  8.0503  180.884    67.888   74.371     95.309   290.577    96.722   25.163  10.143  44.364  9.2833  -19.20128      13.74968 
1 1 1 -12 41  9  o 28.774  8.4570  120.948    62.956   159.062    85.940   76.807     92.486   32.072  9.9798  25.070  10.031  7.002680       14.15003 
1 1 1 -12 41  10 o 15.748  7.0166  -7.7046    54.230   62.025     75.865   -80.5642   77.549   23.007  9.1243  15.294  7.3245  7.712900       11.70043 
1 1 1 -12 41  11 o 23.907  8.6580  78.622     64.633   106.915    97.554   56.486     86.289   27.138  10.467  23.084  9.5200  4.054396       14.14909 
1 1 1 -12 41  12 o 18.347  7.7954  19.554     60.538   -56.1602   85.087   97.171     86.149   16.977  7.9958  26.029  9.8861  -9.052593      12.71488 
1 1 1 -12 41  13 o 17.853  7.8238  6.5646     64.808   61.040     95.028   -40.8054   88.614   23.689  9.8980  17.919  8.3484  5.769928       12.94856 
1 1 1 -12 41  14 o 15.713  7.3016  -35.9747   67.080   -8.4678    90.875   -68.9057   99.432   19.534  8.8596  17.894  8.4919  1.639086       12.27213 
1 1 1 -12 41  15 o 25.221  10.231  83.798     97.640   127.401    105.918  -162.9001  251.938  28.420  10.922  24.731  12.147  3.689104       16.33521 
1 1 1 -12 41  16 o 53.909  11.625  488.890    147.593  488.890    147.593  0.0000     0.0000   53.909  11.625  ?       ?       0.000000       11.62530 
1 1 1 -12 41  17 o 58.787  10.522  548.633    144.571  548.633    144.571  0.0000     0.0000   58.787  10.522  ?       ?       0.000000       10.52162 
1 1 1 -12 41  18 o 39.864  8.3707  234.610    78.389   143.812    107.158  339.137    114.974  29.649  11.077  45.813  10.560  -16.16411      15.30342 
1 1 1 -12 41  19 o 15.979  7.3548  -26.6300   65.722   -53.1776   89.798   3.9944     96.447   17.478  8.2264  20.530  9.2360  -3.051979      12.36833 
1 1 1 -12 41  20 o 28.962  9.1608  131.085    72.107   171.875    96.057   78.425     109.141  31.920  10.611  25.064  10.548  6.855577       14.96176 
1 1 1 -12 41  21 o 71.702  7.9306  748.102    135.666  678.566    276.623  770.124    155.674  47.102  17.757  70.672  9.3045  -23.57012      20.04712 
1 1 1 -12 42  1  o 23.170  8.2831  68.655     58.939   9.5410     93.972   106.988    75.672   21.447  9.4093  27.593  9.4184  -6.146809      13.31321 
1 1 1 -12 42  2  o 17.382  7.3496  13.305     53.385   21.393     84.450   7.9216     68.898   21.207  9.1135  18.812  8.1580  2.394747       12.23149 
1 1 1 -12 42  3  o 34.277  7.8939  165.883    64.297   41.246     106.701  236.944    80.568   23.982  10.273  40.786  8.4202  -16.80388      13.28306 
1 1 1 -12 42  4  o 21.220  8.2294  50.038     60.552   12.842     101.127  70.828     75.604   21.969  9.6952  23.988  9.2251  -2.018753      13.38285 
1 1 1 -12 42  5  o 16.794  7.3847  -1.0973    58.172   29.313     94.146   -19.8781   73.986   22.219  9.5857  17.597  7.9862  4.621746       12.47655 
1 1 1 -12 42  6  o 19.513  8.0199  31.650     60.980   65.032     95.838   8.9411     79.046   24.408  10.045  19.669  8.6295  4.738949       13.24307 
1 1 1 -12 42  7  o 22.631  8.3159  66.964     59.938   -5.2191    91.935   120.328    79.047   20.019  9.0107  28.265  9.6263  -8.246387      13.18554 
1 1 1 -12 42  8  o 42.111  7.1131  246.885    70.091   301.851    97.382   187.804    100.962  44.755  9.2724  33.765  10.857  10.98997       14.27756 
1 1 1 -12 42  9  o 46.817  6.8677  302.913    75.696   359.501    108.549  249.347    105.611  48.473  9.5689  38.852  10.809  9.621315       14.43571 
1 1 1 -12 42  10 o 18.865  7.8701  27.868     59.945   -24.9897   92.433   66.236     78.752   18.913  8.7114  23.182  9.2635  -4.269556      12.71618 
1 1 1 -12 42  11 o 21.082  8.1650  54.150     59.548   36.268     88.130   69.173     80.778   21.628  9.3026  23.434  9.3755  -1.805597      13.20755 
1 1 1 -12 42  12 o 14.497  6.7321  -32.3921   56.882   -49.6906   90.373   -21.0428   73.201   17.632  8.2843  17.103  7.8311  0.5294685      11.39986 
1 1 1 -12 42  13 o 36.309  11.320  230.642    110.511  178.859    120.713  498.731    274.665  31.702  11.774  41.052  16.962  -9.350002      20.64798 
1 1 1 -12 42  14 o 39.448  11.552  273.684    117.657  327.470    130.628  42.493     270.823  42.684  12.073  28.498  13.659  14.18651       18.22926 
1 1 1 -12 42  15 o 35.489  11.940  228.968    121.601  228.968    121.601  0.0000     0.0000   35.489  11.940  ?       ?       0.000000       11.94017 
1 1 1 -12 42  16 o 30.570  10.959  157.699    103.234  157.699    103.234  0.0000     0.0000   30.570  10.959  ?       ?       0.000000       10.95873 
1 1 1 -12 42  17 o 30.760  9.1028  147.847    72.720   137.927    97.561   160.249    109.084  28.999  10.617  30.552  11.220  -1.552134      15.44654 
1 1 1 -12 42  18 o 37.758  8.7205  217.704    78.282   133.418    106.907  315.141    114.944  28.431  10.960  43.068  10.969  -14.63719      15.50638 
1 1 1 -12 42  19 o 52.512  7.4212  395.827    91.922   210.461    130.554  578.066    129.448  32.971  12.244  61.583  8.9230  -28.61191      15.15055 
1 1 1 -12 42  20 o 42.929  11.264  328.909    118.800  156.575    235.102  388.002    137.669  29.179  13.596  45.321  12.234  -16.14168      18.28970 
1 1 1 -12 43  1  o 12.076  5.8364  -72.4131   51.978   -3.9381    87.252   -110.0830  64.715   19.838  8.8650  12.676  6.2120  7.162065       10.82487 
1 1 1 -12 43  2  o 38.176  7.3689  203.391    65.786   199.336    100.068  206.477    87.304   35.321  10.730  36.803  9.6558  -1.481903      14.43478 
1 1 1 -12 43  3  o 40.768  7.3351  231.917    69.892   206.343    110.578  248.931    90.192   35.250  11.365  40.679  9.3355  -5.428562      14.70770 
1 1 1 -12 43  4  o 37.160  7.9476  198.710    69.491   246.575    111.370  168.194    88.925   38.505  11.229  32.593  10.153  5.911900       15.13833 
1 1 1 -12 43  5  o 37.415  7.7886  201.133    68.410   220.565    107.056  187.721    88.936   36.276  11.114  34.352  10.039  1.923893       14.97671 
1 1 1 -12 43  6  o 20.971  8.1694  51.867     59.879   -33.9412   98.296   102.497    75.505   19.112  8.8664  26.269  9.3768  -7.156992      12.90497 
1 1 1 -12 43  7  o 35.946  8.6656  195.173    74.698   363.564    119.700  87.772     95.596   47.204  10.698  25.359  10.180  21.84490       14.76781 
1 1 1 -12 43  8  o 40.265  7.7632  235.093    73.096   351.295    107.568  135.401    99.634   47.406  9.6790  28.804  10.696  18.60169       14.42558 
1 1 1 -12 43  9  o 23.861  8.6086  81.849     63.809   113.424    92.628   53.333     88.026   26.992  10.251  22.549  9.4805  4.443521       13.96312 
1 1 1 -12 43  10 o 16.535  7.4878  -12.1336   64.610   72.888     93.974   -88.3502   88.975   24.046  9.9276  16.050  7.7271  7.996304       12.58029 
1 1 1 -12 43  11 o 38.346  11.473  262.201    115.043  164.661    122.369  1004.36    337.544  30.390  11.723  54.643  19.786  -24.25270      22.99852 
1 1 1 -12 43  12 o 42.445  11.458  316.417    120.755  229.529    132.151  756.003    297.244  34.533  12.397  48.805  18.405  -14.27201      22.19081 
1 1 1 -12 43  13 o 20.319  9.1833  3.1195     96.642   -78.1898   104.310  495.937    256.802  17.844  8.5323  41.307  16.649  -23.46247      18.70822 
1 1 1 -12 43  14 o 29.247  11.595  146.032    122.478  146.032    122.478  0.0000     0.0000   29.247  11.595  ?       ?       0.000000       11.59511 
1 1 1 -12 43  15 o 36.390  11.262  234.422    109.613  234.422    109.613  0.0000     0.0000   36.390  11.262  ?       ?       0.000000       11.26215 
1 1 1 -12 43  16 o 23.139  8.3399  76.755     59.866   96.772     97.914   64.804     75.654   25.629  10.298  22.589  9.0607  3.039961       13.71664 
1 1 1 -12 43  17 o 33.225  8.3920  169.609    67.673   199.597    105.991  148.971    87.928   33.209  11.148  29.688  10.152  3.521111       15.07783 
1 1 1 -12 43  18 o 28.457  10.480  140.590    95.279   141.233    197.626  140.396    108.753  28.364  12.942  28.202  11.003  0.1626320      16.98717 
1 1 1 -12 44  1  o 30.816  8.4060  140.949    64.595   155.706    100.447  130.542    84.349   30.961  10.837  29.014  9.9435  1.946157       14.70796 
1 1 1 -12 44  2  o 16.292  7.1694  0.3441     54.922   -134.8503  92.449   74.082     68.276   15.229  7.4550  23.479  8.8277  -8.249684      11.55451 
1 1 1 -12 44  3  o 31.393  8.4545  148.189    65.838   22.481     105.947  227.275    84.034   22.136  9.8384  38.509  9.1320  -16.37340      13.42338 
1 1 1 -12 44  4  o 18.880  8.1800  17.115     69.144   -4.0485    102.324  34.900     93.801   20.557  9.3536  21.881  9.5038  -1.324200      13.33458 
1 1 1 -12 44  5  o 40.442  8.1324  241.687    77.037   253.361    107.873  229.536    110.053  38.372  11.011  36.069  11.305  2.302608       15.78106 
1 1 1 -12 44  6  o 23.012  8.9695  71.004     72.212   96.459     104.874  48.055     99.577   25.849  10.558  22.763  9.8392  3.086445       14.43214 
1 1 1 -12 44  7  o 53.100  7.0562  398.318    88.662   491.727    124.433  301.986    126.365  56.133  9.4732  40.376  12.011  15.75707       15.29734 
1 1 1 -12 44  8  o 26.851  8.7889  111.911    65.996   111.084    95.777   112.659    91.067   26.559  10.336  26.657  10.155  -0.9741783E-01 14.48975 
1 1 1 -12 44  9  o 15.311  7.4994  -128.6995  93.974   -199.0625  98.497   585.065    313.711  14.168  7.0680  39.995  17.376  -25.82740      18.75835 
1 1 1 -12 44  10 o 18.897  8.7003  -17.1367   92.065   -54.6763   96.084   403.605    321.673  17.774  8.4093  34.893  16.135  -17.11835      18.19494 
1 1 1 -12 44  11 o 65.370  8.9556  652.493    138.314  669.724    149.316  548.330    367.118  65.048  9.7616  36.911  17.128  28.13737       19.71422 
1 1 1 -12 44  12 o 59.995  9.8147  570.962    137.934  477.656    154.360  940.697    307.274  50.669  12.607  55.019  18.972  -4.350086      22.77852 
1 1 1 -12 44  13 o 41.965  10.963  304.454    112.863  304.454    112.863  0.0000     0.0000   41.965  10.963  ?       ?       0.000000       10.96343 
1 1 1 -12 44  14 o 38.521  11.645  273.733    118.078  273.733    118.078  0.0000     0.0000   38.521  11.645  ?       ?       0.000000       11.64512 
1 1 1 -12 44  15 o 27.421  9.0254  120.217    69.561   144.334    113.496  105.707    88.034   28.526  11.208  25.833  9.9493  2.692942       14.98730 
1 1 1 -12 44  16 o 30.993  10.490  171.449    93.856   631.224    294.024  119.285    99.037   40.674  17.226  26.636  10.469  14.03818       20.15749 
1 1 1 -12 44  17 o 18.735  8.3098  15.733     75.206   -108.3512  280.214  25.365     78.071   24.301  12.091  19.511  8.5677  4.790619       14.81853 
1 1 1 -12 45  1  o 34.497  8.9718  184.719    75.804   164.280    105.706  206.359    108.765  30.839  11.086  34.162  11.288  -3.323847      15.82090 
1 1 1 -12 45  2  o 50.938  6.8053  362.662    82.008   409.807    116.303  316.041    115.655  50.886  9.7748  42.921  11.042  7.964775       14.74685 
1 1 1 -12 45  3  o 23.749  8.9765  81.006     70.806   63.932     99.235   98.714     101.060  23.528  9.9883  25.766  10.424  -2.237841      14.43674 
1 1 1 -12 45  4  o 32.121  9.2936  166.448    76.562   234.827    110.214  102.677    106.436  35.952  11.320  26.017  10.633  9.935583       15.53089 
1 1 1 -12 45  5  o 18.086  7.9986  8.6052     69.191   -38.4516   102.917  47.416     93.466   18.866  8.8566  22.144  9.5523  -3.278482      13.02635 
1 1 1 -12 45  6  o 35.177  9.1181  197.717    78.469   149.135    113.837  241.698    108.312  28.911  11.264  36.516  11.178  -7.604523      15.86848 
1 1 1 -12 45  7  o 29.738  10.892  157.606    102.699  138.257    108.114  336.360    328.611  28.196  10.979  32.651  15.478  -4.454779      18.97640 
1 1 1 -12 45  8  o 25.369  10.411  96.292     102.587  107.827    108.104  -8.1423    325.273  26.183  10.710  27.289  13.480  -1.106043      17.21631 
1 1 1 -12 45  9  o 21.966  9.7298  35.560     102.772  0.0002     108.276  358.899    326.501  20.698  9.4948  33.165  15.633  -12.46701      18.29064 
1 1 1 -12 45  10 o 53.185  6.6312  396.114    83.715   335.185    119.103  455.609    117.693  43.551  11.206  53.812  9.3532  -10.26144      14.59647 
1 1 1 -12 45  11 o 12.469  5.9749  -56.1316   51.758   -83.2075   88.812   -42.2065   63.691   16.027  7.7170  14.751  6.9383  1.276083       10.37749 
1 1 1 -12 45  12 o 21.705  9.6601  31.986     102.483  31.986     102.483  0.0000     0.0000   21.705  9.6601  ?       ?       0.000000       9.660146 
1 1 1 -12 45  13 o 32.512  11.120  196.928    105.490  196.928    105.490  0.0000     0.0000   32.512  11.120  ?       ?       0.000000       11.12018 
1 1 1 -12 45  14 o 20.935  8.8796  46.707     78.320   303.409    258.658  20.796     82.177   31.802  14.620  19.611  8.6929  12.19138       17.00952 
1 1 1 -12 45  15 o 15.077  7.1744  -52.4196   71.907   66.845     275.827  -61.1161   74.483   26.383  12.907  15.030  7.1929  11.35260       14.77585 
1 1 1 -12 46  1  o 47.204  7.1659  320.079    79.496   406.981    114.497  239.196    110.461  50.223  9.7471  36.014  11.332  14.20971       14.94729 
1 1 1 -12 46  2  o 24.987  9.2446  97.097     74.287   167.766    109.202  36.224     101.351  30.164  11.199  21.825  9.6651  8.339024       14.79291 
1 1 1 -12 46  3  o 16.209  7.3989  -14.0981   64.676   9.4431     97.642   -32.5002   86.329   20.264  9.1882  17.540  8.1947  2.724100       12.31167 
1 1 1 -12 46  4  o 36.745  12.042  266.973    123.877  364.831    141.196  -60.1422   258.150  42.521  12.707  24.950  12.263  17.57089       17.65948 
1 1 1 -12 46  5  o 45.212  12.388  397.229    139.920  465.928    162.751  202.605    273.936  47.062  13.531  29.764  14.116  17.29733       19.55367 
1 1 1 -12 46  6  o 38.953  12.647  312.626    136.763  294.941    154.033  378.493    297.265  36.138  13.323  33.337  15.449  2.801167       20.40059 
1 1 1 -12 46  7  o 22.947  9.8701  61.042     99.216   89.582     104.276  -211.7987  322.413  24.769  10.360  24.583  12.339  0.1858215      16.11212 
1 1 1 -12 46  8  o 32.843  8.8787  172.746    72.448   114.066    94.281   257.354    113.210  26.321  10.252  37.044  11.442  -10.72222      15.36309 
1 1 1 -12 46  9  o 20.893  8.5071  52.360     67.815   124.258    90.773   -38.4527   102.017  27.105  10.181  18.621  8.7657  8.484158       13.43483 
1 1 1 -12 46  10 o 15.054  6.9345  -21.3415   58.581   -46.5456   91.750   -3.9956    76.115   17.427  8.2367  17.852  8.1013  -0.4243031     11.55308 
1 1 1 -12 46  11 o 18.812  8.6783  -10.9103   92.237   -10.9103   92.237   0.0000     0.0000   18.812  8.6783  ?       ?       0.000000       8.678288 
1 1 1 -12 46  12 o 24.396  11.986  -36.8325   245.728  -36.8325   245.728  0.0000     0.0000   24.396  11.986  ?       ?       0.000000       11.98571 
1 1 1 -12 46  13 o 18.952  8.2631  26.986     71.472   54.318     253.049  24.617     74.506   25.576  12.480  19.022  8.3612  6.553579       15.02185 
1 1 1 -12 47  1  f 15.171  7.4285  -117.6728  91.995   -83.0508   98.361   -359.4827  259.946  16.739  8.0748  21.090  10.648  -4.351534      13.36316 
1 1 1 -12 47  2  o 62.354  10.181  652.116    148.724  570.739    169.605  922.914    309.392  52.844  13.252  48.921  18.698  3.922394       22.91764 
1 1 1 -12 47  3  o 26.961  11.108  129.494    117.341  173.290    132.751  -26.9831   250.923  29.307  11.914  24.874  12.198  4.433817       17.05129 
1 1 1 -12 47  4  o 49.148  11.567  444.850    135.646  437.076    155.160  470.058    279.392  45.371  13.260  35.512  15.867  9.858265       20.67803 
1 1 1 -12 47  5  o 17.819  8.3944  -38.7415   93.886   -38.6511   101.849  -39.2529   242.208  18.462  8.7111  24.521  12.017  -6.058889      14.84209 
1 1 1 -12 47  6  o 25.223  9.3227  102.637    75.510   57.530     107.663  146.304    105.931  22.903  10.059  28.250  10.904  -5.346794      14.83555 
1 1 1 -12 47  7  o 22.680  8.7370  75.267     67.900   143.045    89.927   -14.6216   103.561  28.422  10.224  19.466  9.0542  8.956034       13.65675 
1 1 1 -12 47  8  o 24.000  8.9885  90.057     70.651   80.386     94.868   102.101    105.865  23.661  9.8883  25.201  10.481  -1.539921      14.40966 
1 1 1 -12 47  9  o 30.020  8.2624  143.254    62.082   145.851    91.682   141.056    84.368   28.356  10.305  28.247  9.9297  0.1082191      14.31077 
1 1 1 -12 47  10 o 23.970  11.446  30.977     186.446  30.977     186.446  0.0000     0.0000   23.970  11.446  ?       ?       0.000000       11.44617 
1 1 1 -12 47  11 o 23.708  11.371  31.950     188.471  31.950     188.471  0.0000     0.0000   23.708  11.371  ?       ?       0.000000       11.37131 
1 1 1 -12 47  12 o 20.344  8.6744  49.687     75.441   189.538    242.945  34.763     79.364   26.990  12.936  19.613  8.6250  7.376915       15.54783 
1 1 1 -12 48  1  o 19.842  9.3126  -17.1061   113.671  88.810     128.870  -388.3707  241.274  24.659  10.910  19.843  10.042  4.815369       14.82828 
1 1 1 -12 48  2  o 20.670  9.6269  -0.3333    117.669  9.0662     134.644  -30.7184   242.084  21.817  10.206  24.244  11.908  -2.426842      15.68308 
1 1 1 -12 48  3  f 28.459  8.8622  133.955    67.755   220.534    112.829  85.124     84.735   33.143  11.493  23.633  9.5502  9.510452       14.94272 
1 1 1 -12 48  4  o 13.484  6.5269  -74.9717   65.592   -148.8514  93.622   -3.7468    91.925   14.475  7.1646  18.941  8.7107  -4.466352      11.27864 
1 1 1 -12 48  5  o 22.002  8.9084  67.355     73.881   97.976     107.950  40.373     101.332  24.776  10.462  21.517  9.5888  3.258953       14.19164 
1 1 1 -12 48  6  o 17.093  7.7161  0.3306     67.983   8.1084     93.220   -8.5055    99.360   19.476  8.8873  19.181  8.9040  0.2955704      12.58030 
1 1 1 -12 48  7  o 20.275  9.0340  30.631     89.909   140.398    168.570  -13.0092   106.289  26.730  12.100  19.375  9.0651  7.354965       15.11936 
1 1 1 -12 48  8  o 19.501  8.3854  37.647     71.572   177.585    185.536  13.183     77.576   27.589  12.570  18.448  8.2929  9.141415       15.05871 
1 1 1 -12 48  9  o 21.824  10.540  -13.0615   168.797  -13.0615   168.797  0.0000     0.0000   21.824  10.540  ?       ?       0.000000       10.54023 
1 1 1 -12 48  10 o 20.557  10.038  -51.1721   164.595  -51.1721   164.595  0.0000     0.0000   20.557  10.038  ?       ?       0.000000       10.03821 
1 1 1 -12 49  1  o 48.056  7.0652  339.822    79.924   390.694    125.631  305.234    103.590  45.258  11.436  41.306  10.355  3.951271       15.42754 
1 1 1 -12 49  2  o 29.869  8.4682  145.704    64.191   40.638     109.793  200.270    79.123   21.698  9.7991  34.300  9.2814  -12.60199      13.49697 
1 1 1 -12 49  3  o 17.780  7.4057  31.170     52.959   -29.2074   102.352  53.244     61.888   18.482  8.7242  20.213  8.1641  -1.731171      11.94838 
1 1 1 -12 49  4  o 28.834  8.6001  138.333    64.720   164.836    111.943  125.026    79.321   28.400  11.140  26.539  9.5945  1.861494       14.70244 
1 1 1 -12 49  5  o 18.338  8.4530  -2.0487    87.257   48.666     162.609  -22.5569   103.406  23.324  11.006  18.639  8.7896  4.684570       14.08489 
1 1 1 -12 49  6  o 16.240  7.7377  -46.0347   84.218   -25.0017   160.038  -54.0901   99.041   21.170  10.234  17.175  8.2391  3.994604       13.13839 
1 1 1 -12 49  7  o 19.820  8.3875  48.550     69.625   10.273     172.408  56.008     76.106   22.087  10.664  20.596  8.7456  1.490847       13.79132 
1 1 1 -12 49  8  o 25.646  11.998  163.985    186.133  163.985    186.133  0.0000     0.0000   25.646  11.998  ?       ?       0.000000       11.99817 
1 1 1 -12 50  1  o 11.360  5.5256  -65.2227   48.509   -105.3807  98.864   -52.4892   55.671   15.747  7.7088  12.906  6.1875  2.841484       9.884914 
1 1 1 -12 50  2  o 22.216  8.8193  77.418     70.943   211.453    180.955  53.075     77.117   28.130  12.654  20.588  8.7742  7.542513       15.39799 
1 1 1 -12 50  3  o 21.240  8.7085  66.278     71.687   31.321     168.946  73.954     79.168   22.571  10.810  21.968  9.0943  0.6023960      14.12651 
1 1 1 -12 50  4  o 21.863  8.7860  76.079     71.284   299.101    172.533  30.172     78.278   31.217  13.207  19.028  8.4570  12.18918       15.68243 
1 1 1 -12 50  5  o 16.507  7.3904  10.114     60.940   -88.8387   178.245  23.211     64.847   19.964  9.8825  17.633  7.7738  2.330744       12.57361 
1 1 1 -12 50  6  o 24.523  9.4938  115.937    80.481   164.337    180.472  103.923    89.917   25.077  11.758  23.421  9.6935  1.656185       15.23866 
1 1 1 -12 51  1  o 22.424  8.8595  84.914     71.275   226.441    168.266  53.968     78.683   27.931  12.407  20.318  8.7644  7.613012       15.19047 
1 1 1 -12 51  2  o 23.132  8.8913  94.923     70.208   90.621     170.580  95.801     77.036   23.282  11.070  23.092  9.1829  0.1904812      14.38316 
1 1 1 -12 51  3  o 16.656  7.4778  13.005     62.857   10.057     166.576  13.495     67.875   21.034  10.233  17.063  7.7056  3.970877       12.80980 
1 1 1 -12 52  1  o 18.831  8.0544  47.949     65.407   27.288     165.100  51.796     71.236   20.818  10.141  19.289  8.3299  1.528858       13.12362 
1 1 1 -11 -57 28 o 25.948  9.0303  146.004    69.692   -9.0519    110.830  247.414    89.630   17.256  8.3836  32.457  10.207  -15.20132      13.20860 
1 1 1 -11 -57 29 o 16.912  7.5484  32.137     63.060   11.759     105.400  43.498     78.699   17.718  8.4994  18.104  8.2241  -0.3863773     11.82693 
1 1 1 -11 -57 30 o 15.959  7.3451  12.192     65.530   8.3197     104.706  14.686     84.019   17.640  8.4647  17.048  8.0029  0.5919170      11.64898 
1 1 1 -11 -57 31 o 20.738  9.0005  88.864     84.003   66.608     224.198  92.498     90.603   20.468  10.276  20.863  9.1936  -0.3946686     13.78854 
1 1 1 -11 -57 32 o 22.530  9.4960  119.327    88.664   328.905    229.200  82.445     96.149   24.213  11.829  20.363  9.1856  3.850285       14.97631 
1 1 1 -11 -57 33 o 20.418  9.2631  83.151     99.418   127.281    216.887  71.412     111.862  21.328  10.615  19.996  9.3374  1.331650       14.13759 
1 1 1 -11 -57 34 o 21.574  9.5725  107.200    99.890   165.971    186.477  83.550     118.292  22.184  10.800  20.472  9.5737  1.711033       14.43246 
1 1 1 -11 -57 35 o 15.918  7.6469  -21.1954   85.984   95.367     170.934  -60.6810   99.488   20.870  10.200  15.586  7.6509  5.284516       12.75022 
1 1 1 -11 -57 36 o 14.505  7.0546  -50.4458   79.036   -172.9893  167.176  -15.1714   89.693   16.688  8.4370  16.321  7.8325  0.3672924      11.51218 
1 1 1 -11 -57 37 o 12.639  6.1879  -66.4623   63.780   -145.3394  91.734   7.3457     88.737   13.212  6.6250  17.041  8.0681  -3.829384      10.43955 
1 1 1 -11 -57 38 o 18.128  7.9330  48.295     66.419   6.9071     100.146  80.797     88.746   17.475  8.3570  20.262  9.0050  -2.786739      12.28530 
1 1 1 -11 -57 39 o 17.876  7.6902  47.517     60.247   61.113     94.329   38.150     78.297   19.306  8.8585  17.879  8.1532  1.427410       12.03945 
1 1 1 -11 -57 40 o 25.084  8.8293  132.885    66.720   143.289    105.033  125.848    86.387   23.034  10.030  22.896  9.4909  0.1372433      13.80901 
1 1 1 -11 -56 22 o 18.015  7.8362  45.915     63.963   56.755     102.614  39.027     81.798   19.459  9.0384  18.200  8.3128  1.259113       12.27989 
1 1 1 -11 -56 23 f 15.548  7.1153  7.7205     60.311   -105.4305  89.567   101.587    81.578   13.979  6.9350  21.925  9.1667  -7.945685      11.49445 
1 1 1 -11 -56 24 o 17.207  7.5927  32.504     61.996   -35.4465   86.968   102.710    88.400   15.726  7.5877  21.967  9.3789  -6.241650      12.06390 
1 1 1 -11 -56 25 o 17.455  7.5681  37.227     59.272   48.078     81.122   24.800     86.814   18.916  8.4935  18.012  8.3479  0.9032555      11.90907 
1 1 1 -11 -56 26 o 20.693  8.6112  77.622     71.515   58.686     111.480  90.864     93.225   20.133  9.3745  21.431  9.3879  -1.297789      13.26700 
1 1 1 -11 -56 27 o 10.192  5.1065  -117.3064  53.970   -203.0224  91.112   -70.9731   66.987   12.385  6.2583  13.034  6.3731  -0.6494904     8.932129 
1 1 1 -11 -56 28 o 27.807  9.0739  153.788    70.367   137.072    112.601  164.499    90.136   23.674  10.345  26.641  10.114  -2.967106      14.46765 
1 1 1 -11 -56 29 f 10.698  5.3069  -91.7261   52.413   -177.6187  93.962   -52.9274   63.151   13.083  6.5793  13.280  6.4220  -0.1963463     9.193988 
1 1 1 -11 -56 30 o 16.060  7.2910  10.345     61.731   -6.5042    104.651  19.336     76.447   17.892  8.5525  17.483  8.0045  0.4084244      11.71404 
1 1 1 -11 -56 31 o 16.324  7.6000  -1.3571    73.244   41.863     215.517  -7.0008    77.880   21.375  10.630  16.398  7.7001  4.976583       13.12551 
1 1 1 -11 -56 32 o 20.483  9.1035  68.023     90.701   222.193    205.984  30.941     101.022  24.566  11.810  19.092  8.9011  5.474316       14.78882 
1 1 1 -11 -56 33 o 16.519  7.5662  9.2429     68.403   -20.8455   93.707   43.562     100.079  16.907  8.0851  19.576  9.0338  -2.668362      12.12344 
1 1 1 -11 -56 34 o 18.492  8.5115  27.907     88.030   247.484    171.408  -50.7538   102.593  26.269  12.012  16.544  8.0445  9.725052       14.45682 
1 1 1 -11 -56 35 o 22.449  9.7768  104.418    99.812   -7.4955    182.095  152.483    119.336  20.237  10.012  24.474  10.674  -4.236952      14.63478 
1 1 1 -11 -56 36 o 18.988  8.6542  38.877     88.067   27.283     159.946  43.921     105.499  20.468  9.9731  19.737  9.1664  0.7315636      13.54567 
1 1 1 -11 -56 37 o 15.213  7.2636  -31.7526   75.023   -56.6473   162.766  -25.0370   84.538   18.924  9.3812  16.172  7.7183  2.752050       12.14818 
1 1 1 -11 -56 38 o 18.166  8.1811  32.825     75.911   -4.8950    157.126  44.310     86.701   19.698  9.6586  19.166  8.6771  0.5320225      12.98388 
1 1 1 -11 -56 39 o 31.374  8.9934  187.939    71.998   249.476    110.126  142.002    95.149   31.103  11.296  24.746  10.076  6.356401       15.13701 
1 1 1 -11 -56 40 o 20.870  8.2078  77.038     60.911   61.235     96.633   87.456     78.462   20.139  9.1350  21.491  8.9880  -1.351721      12.81534 
1 1 1 -11 -56 41 o 15.280  6.4385  23.754     40.745   7.0329     95.323   27.492     45.069   17.830  8.4174  15.954  6.7496  1.876559       10.78940 
1 1 1 -11 -56 42 o 19.442  8.9442  48.029     97.036   48.029     97.036   0.0000     0.0000   19.442  8.9442  ?       ?       0.000000       8.944162 
1 1 1 -11 -56 43 f 18.656  8.6671  32.824     94.434   32.824     94.434   0.0000     0.0000   18.656  8.6671  ?       ?       0.000000       8.667140 
1 1 1 -11 -56 44 o 15.937  6.9781  23.020     51.459   55.948     110.807  13.966     58.104   19.850  9.2773  15.816  7.1370  4.034348       11.70490 
1 1 1 -11 -56 45 o 19.067  7.7264  60.281     55.627   50.580     117.695  63.072     63.122   19.657  9.3021  19.352  8.0749  0.3043842      12.31799 
1 1 1 -11 -55 18 o 11.955  5.7846  -49.9582   51.418   -112.9412  90.471   -19.9075   62.492   13.982  6.9420  14.458  6.8225  -0.4763680     9.733349 
1 1 1 -11 -55 19 o 18.870  8.0394  52.566     64.705   133.677    104.774  2.5593     82.267   23.686  10.164  16.979  7.9541  6.706629       12.90654 
1 1 1 -11 -55 20 o 28.726  9.0825  161.750    70.885   141.614    106.446  177.794    95.018   24.277  10.327  27.409  10.389  -3.132126      14.64835 
1 1 1 -11 -55 21 o 15.278  7.0010  -0.1940    58.654   4.7326     91.640   -3.6126    76.338   17.761  8.3442  16.504  7.7090  1.257425       11.36019 
1 1 1 -11 -55 22 o 12.499  6.0613  -58.1092   57.199   -93.8271   93.139   -36.4817   72.476   14.883  7.3251  14.912  7.1253  -0.2917385E-01 10.21896 
1 1 1 -11 -55 23 o 16.669  7.4117  19.491     60.182   162.652    86.867   -112.6506  83.457   27.412  10.021  13.650  6.7580  13.76226       12.08642 
1 1 1 -11 -55 24 o 23.730  8.7109  104.657    65.743   136.589    93.537   73.482     92.423   25.043  10.064  21.157  9.3056  3.885944       13.70706 
1 1 1 -11 -55 25 o 13.213  6.3164  -41.4572   57.090   -53.2398   76.072   -26.2638   86.383   14.730  7.1047  16.503  7.8556  -1.772472      10.59182 
1 1 1 -11 -55 26 o 13.236  6.3165  -39.9288   56.589   -74.1349   77.305   -0.4376    83.063   14.195  6.9200  17.317  8.0729  -3.122735      10.63289 
1 1 1 -11 -55 27 o 15.234  6.9491  -1.2094    56.928   -57.6339   82.748   49.496     78.442   15.209  7.3539  19.610  8.6003  -4.401296      11.31573 
1 1 1 -11 -55 28 o 25.219  8.4589  114.331    61.028   111.157    91.540   116.870    81.878   23.609  9.7768  24.287  9.5274  -0.6776791     13.65124 
1 1 1 -11 -55 29 o 17.902  7.6123  37.110     57.807   13.252     84.795   57.826     79.014   18.084  8.3348  20.180  8.7437  -2.096554      12.07978 
1 1 1 -11 -55 30 o 20.379  8.2221  65.414     62.697   92.869     104.150  49.809     78.518   22.520  9.8924  19.697  8.6223  2.823210       13.12262 
1 1 1 -11 -55 31 o 15.291  7.1459  -17.1036   65.722   -4.6625    99.211   -26.8325   87.732   18.197  8.5896  16.690  7.9367  1.506990       11.69499 
1 1 1 -11 -55 32 o 15.437  7.2050  -15.6249   66.479   -102.3798  91.830   79.909     96.364   14.763  7.2674  21.823  9.5525  -7.059933      12.00274 
1 1 1 -11 -55 33 o 14.751  6.9240  -22.8813   62.865   -14.4620   89.717   -31.0024   88.114   17.291  8.1639  16.582  7.9047  0.7089195      11.36370 
1 1 1 -11 -55 34 o 26.260  9.0982  130.576    70.706   84.322     101.276  174.560    98.759   22.115  9.7338  27.905  10.588  -5.789814      14.38251 
1 1 1 -11 -55 35 o 14.273  6.7421  -29.8491   61.317   -16.1217   90.556   -41.4723   83.327   17.288  8.1745  15.857  7.5936  1.431324       11.15725 
1 1 1 -11 -55 36 o 15.032  7.0066  -16.3550   62.541   -25.2816   87.327   -6.9557    89.609   16.732  7.9455  17.572  8.2539  -0.8397636     11.45674 
1 1 1 -11 -55 37 o 23.723  9.6078  109.734    85.962   233.443    162.555  61.708     101.283  27.482  12.202  21.000  9.4546  6.481916       15.43620 
1 1 1 -11 -55 38 o 19.949  8.8100  50.882     83.642   11.618     165.608  64.327     96.911   20.997  10.212  21.016  9.3705  -0.1852989E-01 13.85986 
1 1 1 -11 -55 39 o 16.893  7.9429  -12.9227   83.321   0.0000     0.0000   -12.9227   83.321   ?       ?       16.893  7.9429  0.000000       7.942870 
1 1 1 -11 -55 40 o 20.649  8.9966  63.435     84.590   202.424    166.852  15.352     98.137   26.079  11.896  18.855  8.7848  7.223619       14.78822 
1 1 1 -11 -55 41 o 17.043  8.4731  -130.5835  136.547  -130.5835  136.547  0.0000     0.0000   17.043  8.4731  ?       ?       0.000000       8.473136 
1 1 1 -11 -55 42 o 18.034  8.4974  -2.0952    96.283   -2.0952    96.283   0.0000     0.0000   18.034  8.4974  ?       ?       0.000000       8.497380 
1 1 1 -11 -55 43 o 15.326  6.6316  17.126     45.331   292.892    98.157   -57.6325   51.107   38.018  10.359  11.789  5.7196  26.22932       11.83284 
1 1 1 -11 -55 44 o 9.6722  4.6973  -46.4026   34.694   -202.4362  86.095   -16.1530   37.908   12.108  6.1147  11.911  5.5188  0.1970634      8.236937 
1 1 1 -11 -55 45 o 11.858  5.5026  -16.6332   37.895   -42.3160   90.752   -11.2093   41.706   16.172  7.7903  12.769  5.8705  3.402610       9.754520 
1 1 1 -11 -55 46 o 31.066  8.4140  172.625    64.990   9.4585     139.106  218.185    73.506   19.742  9.5433  34.729  8.7321  -14.98663      12.93538 
1 1 1 -11 -55 47 o 21.578  8.3686  84.077     62.620   189.925    135.446  55.303     70.621   25.576  11.257  19.344  8.3238  6.232502       14.00017 
1 1 1 -11 -55 48 o 22.661  8.4721  96.932     62.712   164.537    127.543  75.377     72.019   24.484  10.842  20.634  8.6188  3.849352       13.85066 
1 1 1 -11 -54 15 o 23.618  8.6316  105.554    64.450   38.355     101.024  151.674    83.693   19.447  9.0100  26.450  9.8072  -7.003706      13.31776 
1 1 1 -11 -54 16 o 19.201  7.9406  54.687     60.266   85.028     100.463  37.631     75.324   21.714  9.6191  18.604  8.2806  3.110582       12.69235 
1 1 1 -11 -54 17 f 25.504  8.7762  121.673    65.737   32.246     105.042  179.243    84.281   19.650  9.1331  29.352  9.9401  -9.701828      13.49883 
1 1 1 -11 -54 18 o 27.147  8.9387  137.984    68.228   89.240     102.979  176.122    91.089   22.263  9.8065  28.535  10.287  -6.271528      14.21224 
1 1 1 -11 -54 19 o 22.685  8.4794  90.256     62.814   95.312     97.939   86.723     81.869   22.702  9.7855  22.171  9.2189  0.5306435      13.44414 
1 1 1 -11 -54 20 o 16.626  7.4842  11.033     63.443   105.055    99.520   -53.3339   82.343   23.357  9.9612  15.419  7.4260  7.937368       12.42459 
1 1 1 -11 -54 21 o 20.825  8.2604  68.920     62.188   44.065     97.014   86.257     81.025   20.229  9.1666  22.290  9.2117  -2.061346      12.99546 
1 1 1 -11 -54 22 o 13.711  6.4839  -33.1055   57.011   -29.3385   80.498   -36.8965   80.753   16.185  7.6689  15.921  7.5834  0.2636118      10.78522 
1 1 1 -11 -54 23 o 24.658  8.5879  107.502    63.037   90.754     88.212   124.979    90.114   22.706  9.5157  25.046  9.9407  -2.339687      13.76103 
1 1 1 -11 -54 24 o 28.661  8.9146  148.237    68.581   149.942    98.760   146.650    95.309   26.549  10.448  26.478  10.309  0.7083893E-01  14.67770 
1 1 1 -11 -54 25 o 21.133  8.2301  71.158     60.759   -58.7684   85.627   202.913    86.228   15.633  7.5396  32.230  9.9912  -16.59681      12.51672 
1 1 1 -11 -54 26 o 15.088  6.8522  -2.7629    54.591   -125.2313  79.608   105.951    75.005   13.216  6.5532  24.085  9.2061  -10.86952      11.30029 
1 1 1 -11 -54 27 o 12.660  5.9589  -29.1999   47.119   -73.8530   72.560   3.3608     61.961   13.928  6.7708  16.180  7.3293  -2.251863      9.978132 
1 1 1 -11 -54 28 o 18.375  7.7426  39.242     58.921   30.051     86.292   47.270     80.646   19.282  8.6996  19.956  8.7370  -0.6742001     12.32954 
1 1 1 -11 -54 29 o 54.087  8.7087  489.976    110.410  402.930    123.239  843.985    248.531  44.194  11.413  46.212  16.941  -2.018742      20.42670 
1 1 1 -11 -54 30 o 47.341  9.2680  390.181    102.650  319.354    113.502  708.351    240.566  38.852  11.337  41.216  16.279  -2.363533      19.83755 
1 1 1 -11 -54 31 o 51.050  6.6299  387.791    80.184   492.494    111.141  274.129    115.798  54.172  8.7539  34.667  11.652  19.50572       14.57378 
1 1 1 -11 -54 32 o 29.283  9.1048  155.878    71.546   230.837    98.802   73.236     103.741  33.303  10.743  22.043  9.7691  11.26002       14.52089 
1 1 1 -11 -54 33 o 33.348  8.8583  194.301    72.892   281.434    104.175  110.724    102.027  37.115  10.870  24.062  10.166  13.05308       14.88349 
1 1 1 -11 -54 34 o 41.706  7.9013  278.974    77.031   319.154    110.470  240.947    107.468  39.448  11.083  33.084  11.224  6.364536       15.77396 
1 1 1 -11 -54 35 o 18.140  7.7246  35.228     59.683   44.397     92.999   28.808     77.824   20.331  9.1140  18.805  8.3900  1.526491       12.38780 
1 1 1 -11 -54 36 o 42.111  7.5691  278.572    74.496   340.110    112.544  230.583    99.386   40.969  11.062  33.250  10.780  7.718693       15.44636 
1 1 1 -11 -54 37 o 13.401  6.3988  -44.9371   58.247   -50.9847   90.335   -40.6336   76.203   16.323  7.8406  15.483  7.3726  0.8397951      10.76250 
1 1 1 -11 -54 38 o 12.454  6.0347  -62.7890   56.434   4.5623     91.904   -103.5578  71.503   18.476  8.5722  12.949  6.3819  5.527238       10.68694 
1 1 1 -11 -54 39 o 28.321  12.698  247.512    180.617  247.512    180.617  0.0000     0.0000   28.321  12.698  ?       ?       0.000000       12.69810 
1 1 1 -11 -54 40 o 26.364  12.076  185.339    174.270  185.339    174.270  0.0000     0.0000   26.364  12.076  ?       ?       0.000000       12.07593 
1 1 1 -11 -54 41 o 19.148  9.4766  -106.3789  163.581  -106.3789  163.581  0.0000     0.0000   19.148  9.4766  ?       ?       0.000000       9.476609 
1 1 1 -11 -54 42 o 28.795  10.019  165.363    85.778   125.516    187.733  175.877    96.432   24.503  11.640  28.805  10.554  -4.301867      15.71192 
1 1 1 -11 -54 43 o 25.693  7.5549  107.517    50.231   185.673    171.624  100.194    52.532   26.276  12.017  24.560  7.8244  1.716339       14.33965 
1 1 1 -11 -54 44 o 21.794  7.2310  75.328     44.619   57.696     97.769   79.966     50.145   21.044  9.3954  22.176  7.6632  -1.132259      12.12424 
1 1 1 -11 -54 45 o 14.894  6.3800  15.181     41.152   156.003    95.813   -16.6735   45.569   27.081  10.392  13.124  6.0701  13.95698       12.03507 
1 1 1 -11 -54 46 o 15.062  6.4220  17.106     41.345   -27.6760   94.022   27.841     46.035   17.218  8.1960  16.460  6.8843  0.7582550      10.70363 
1 1 1 -11 -54 47 o 26.865  7.3951  117.366    49.729   135.182    103.158  111.972    56.759   25.080  10.382  25.451  8.1358  -0.3717556     13.18974 
1 1 1 -11 -54 48 o 15.245  6.9542  -1.7945    57.018   38.775     118.536  -14.0071   65.037   20.505  9.5872  15.370  7.1578  5.135042       11.96453 
1 1 1 -11 -54 49 f 15.446  7.1643  -9.4331    64.130   0.0000     0.0000   -9.4331    64.130   ?       ?       15.446  7.1643  0.000000       7.164282 
1 1 1 -11 -54 50 o 22.229  8.9238  91.340     73.454   0.0000     0.0000   91.340     73.454   ?       ?       22.229  8.9238  0.000000       8.923772 
1 1 1 -11 -53 12 o 29.165  10.972  204.849    105.513  201.624    120.733  215.276    217.087  27.699  11.323  25.051  12.063  2.648277       16.54442 
1 1 1 -11 -53 13 o 26.710  10.624  163.168    103.144  188.422    115.604  64.589     228.398  27.603  11.155  22.771  11.257  4.831163       15.84758 
1 1 1 -11 -53 14 o 16.451  7.8548  -36.0265   87.738   -10.4104   96.098   -164.3247  215.065  17.921  8.4577  19.753  9.9359  -1.831970      13.04816 
1 1 1 -11 -53 15 o 27.447  10.730  167.161    103.590  153.056    118.277  213.611    214.640  25.937  10.952  26.152  12.430  -0.2153416     16.56630 
1 1 1 -11 -53 16 o 24.501  9.8470  115.489    89.548   129.777    106.417  80.831     165.742  25.075  10.475  23.197  10.995  1.877777       15.18654 
1 1 1 -11 -53 17 o 14.420  6.9968  -72.2916   76.532   -41.5689   87.968   -167.9516  155.224  16.466  7.8627  17.788  8.8739  -1.322390      11.85614 
1 1 1 -11 -53 18 o 23.297  9.7520  95.469     92.484   180.986    112.482  -82.9719   162.482  28.325  11.149  19.634  9.6657  8.690765       14.75563 
1 1 1 -11 -53 19 o 19.587  8.7846  32.710     86.507   -1.2388    100.856  127.209    168.268  18.876  8.8313  24.875  11.561  -5.999430      14.54799 
1 1 1 -11 -53 20 o 24.528  10.105  113.437    97.110   62.809     115.907  232.677    177.878  22.068  10.008  28.305  12.653  -6.237457      16.13207 
1 1 1 -11 -53 21 o 12.728  6.0937  -47.9130   53.582   -46.5277   75.134   -49.3467   76.437   15.249  7.2774  15.269  7.3016  -0.1982307E-01 10.30891 
1 1 1 -11 -53 22 o 29.316  8.5071  146.457    64.067   139.230    90.336   153.770    90.876   26.613  10.120  27.761  10.234  -1.147873      14.39234 
1 1 1 -11 -53 23 o 18.184  7.6147  36.864     56.419   101.842    77.829   -35.0928   81.902   23.985  9.3220  16.305  7.7287  7.680319       12.10919 
1 1 1 -11 -53 24 o 42.538  7.3061  277.603    72.693   169.950    102.072  388.396    103.550  28.346  10.762  47.494  9.3185  -19.14785      14.23586 
1 1 1 -11 -53 25 o 22.137  8.2091  79.207     58.643   95.358     84.750   64.369     81.228   23.408  9.5182  21.245  9.0285  2.162308       13.11911 
1 1 1 -11 -53 26 o 14.182  6.5413  -15.5046   52.377   -16.9655   75.702   -14.1630   72.544   16.504  7.6983  16.355  7.5975  0.1498718      10.81600 
1 1 1 -11 -53 27 o 11.319  5.5167  -66.5679   49.030   -45.2948   70.958   -86.0051   67.827   14.877  7.0922  13.108  6.4099  1.769170       9.559597 
1 1 1 -11 -53 28 o 32.017  8.4092  171.881    66.168   137.497    96.155   202.808    91.195   26.229  10.313  32.073  10.319  -5.843498      14.58921 
1 1 1 -11 -53 29 f 20.546  8.2765  61.559     63.419   103.118    82.756   2.4265     98.716   24.004  9.5265  18.941  8.8200  5.063046       12.98257 
1 1 1 -11 -53 30 o 27.258  8.6797  129.119    64.649   210.228    87.153   29.888     96.399   33.312  9.9899  19.979  9.0861  13.33208       13.50394 
1 1 1 -11 -53 31 o 28.104  9.9847  153.639    85.515   152.712    93.185   158.580    215.243  27.539  10.321  25.736  12.292  1.802427       16.05068 
1 1 1 -11 -53 32 o 16.838  7.7750  -7.3542    74.296   -7.2810    82.724   -7.6596    168.951  17.504  8.1252  21.515  10.430  -4.011436      13.22102 
1 1 1 -11 -53 33 o 34.109  8.4557  194.133    69.632   181.385    98.986   206.622    97.971   29.478  10.709  31.700  10.717  -2.222677      15.15034 
1 1 1 -11 -53 34 o 22.703  8.4161  84.861     61.627   181.988    92.897   8.5198     82.360   30.053  10.428  18.209  8.3264  11.84426       13.34415 
1 1 1 -11 -53 35 o 16.577  7.3624  11.505     59.224   28.045     98.362   2.0994     74.176   20.021  9.1333  17.305  7.9085  2.716496       12.08143 
1 1 1 -11 -53 36 o 22.567  8.5327  83.573     63.994   22.705     97.216   130.115    85.009   19.736  9.0326  26.152  9.8469  -6.415873      13.36222 
1 1 1 -11 -53 37 f 32.600  9.1425  187.346    75.245   271.546    104.754  97.596     108.151  36.700  10.940  23.685  10.246  13.01449       14.98894 
1 1 1 -11 -53 38 o 21.727  9.5491  63.715     97.162   63.715     97.162   0.0000     0.0000   21.727  9.5491  ?       ?       0.000000       9.549056 
1 1 1 -11 -53 39 o 20.702  9.0937  50.088     88.012   50.088     88.012   0.0000     0.0000   20.702  9.0937  ?       ?       0.000000       9.093739 
1 1 1 -11 -53 40 o 53.856  4.8361  392.204    62.523   462.453    117.059  364.165    73.955   51.392  9.7440  50.311  6.1886  1.080608       11.54317 
1 1 1 -11 -53 41 o 18.366  7.9757  29.861     66.041   121.475    175.862  14.821     71.256   25.054  11.702  17.812  7.9818  7.241564       14.16488 
1 1 1 -11 -53 42 o 25.277  9.2667  114.107    74.366   252.590    181.077  86.011     81.562   29.334  12.958  22.873  9.3233  6.460724       15.96363 
1 1 1 -11 -53 43 o 17.171  7.5243  18.837     59.934   -104.5104  158.749  39.341     64.724   19.317  9.5180  18.946  8.0556  0.3701496      12.46938 
1 1 1 -11 -53 44 o 29.200  9.5109  156.575    77.321   323.881    172.344  114.413    86.516   32.865  13.492  24.946  9.7910  7.919477       16.67037 
1 1 1 -11 -53 45 o 19.964  7.0902  59.263     43.118   -7.0622    99.871   74.458     47.802   18.723  8.7687  21.824  7.4854  -3.100563      11.52917 
1 1 1 -11 -53 46 o 21.459  7.4493  71.622     47.412   36.628     106.955  80.180     52.893   20.776  9.4956  22.371  7.8623  -1.594364      12.32816 
1 1 1 -11 -53 47 o 12.230  5.7378  -27.3872   43.086   -69.0937   103.100  -18.5619   47.427   16.859  8.1660  13.368  6.1865  3.490535       10.24483 
1 1 1 -11 -53 48 o 30.501  7.4944  147.602    55.066   0.0000     0.0000   147.602    55.066   ?       ?       30.501  7.4944  0.000000       7.494351 
1 1 1 -11 -53 49 o 26.079  9.4543  127.905    77.096   0.0000     0.0000   127.905    77.096   ?       ?       26.079  9.4543  0.000000       9.454288 
1 1 1 -11 -53 50 o 11.179  5.5464  -104.8894  57.369   0.0000     0.0000   -104.8894  57.369   ?       ?       11.179  5.5464  0.000000       5.546405 
1 1 1 -11 -53 51 o 13.840  6.5319  -30.8055   57.327   100.666    126.729  -64.6298   64.280   23.232  10.507  13.272  6.4336  9.959303       12.31983 
1 1 1 -11 -53 52 o 39.086  8.9496  269.946    83.048   427.337    169.632  220.330    95.243   36.131  13.837  32.080  10.561  4.050652       17.40644 
1 1 1 -11 -52 9  o 15.246  7.1328  -18.2194   65.784   3.6068     91.288   -41.7971   94.880   18.073  8.4379  16.686  8.0204  1.386534       11.64151 
1 1 1 -11 -52 10 o 14.861  6.9110  -16.7983   60.280   167.117    89.919   -166.9163  81.238   28.326  10.219  12.425  6.2308  15.90112       11.96897 
1 1 1 -11 -52 11 o 18.665  7.8332  42.118     59.916   -7.7245    90.666   80.759     79.832   17.874  8.3660  22.116  9.1420  -4.241695      12.39221 
1 1 1 -11 -52 12 o 21.128  8.3920  68.870     64.268   -17.9343   99.283   131.475    84.316   18.151  8.5755  26.131  9.8130  -7.979893      13.03205 
1 1 1 -11 -52 13 o 15.824  7.1433  0.9626     58.270   49.718     90.518   -33.5385   76.145   20.729  9.1592  15.866  7.5001  4.863737       11.83821 
1 1 1 -11 -52 14 o 16.466  7.7947  -34.3369   82.767   -39.0670   89.965   -8.2759    211.171  16.882  8.0308  22.680  11.136  -5.797565      13.72967 
1 1 1 -11 -52 15 o 27.232  10.146  143.518    89.780   121.725    100.415  230.362    200.450  25.310  10.334  28.175  12.922  -2.864799      16.54618 
1 1 1 -11 -52 16 o 31.452  10.826  201.773    100.025  193.895    120.531  219.198    179.269  29.361  11.546  28.404  12.699  0.9562206      17.16325 
1 1 1 -11 -52 17 o 21.571  9.3113  61.903     88.928   -15.7051   108.094  224.426    156.426  19.033  8.9789  29.410  12.514  -10.37690      15.40229 
1 1 1 -11 -52 18 o 39.903  10.849  306.941    107.810  341.372    131.283  235.635    188.928  39.078  12.361  28.818  12.949  10.26059       17.90169 
1 1 1 -11 -52 19 o 32.935  10.720  216.059    98.244   291.684    117.161  36.929     180.316  37.087  11.671  23.153  11.109  13.93446       16.11296 
1 1 1 -11 -52 20 o 16.371  7.6377  -20.7171   74.573   -26.0343   84.464   -1.9185    158.814  17.001  7.9946  21.640  10.395  -4.639170      13.11362 
1 1 1 -11 -52 21 o 25.049  9.7926  113.873    86.271   70.643     99.274   247.225    174.358  22.330  9.7371  29.641  12.915  -7.311001      16.17456 
1 1 1 -11 -52 22 o 18.611  8.3358  19.858     77.623   35.173     88.331   -32.0759   162.656  20.046  8.9415  21.059  10.214  -1.012924      13.57494 
1 1 1 -11 -52 23 o 26.193  9.8586  127.807    85.196   171.123    99.997   13.114     162.719  28.946  10.723  22.120  10.598  6.826332       15.07602 
1 1 1 -11 -52 24 o 20.255  8.7678  46.511     79.295   44.441     87.680   55.810     185.817  20.513  9.0415  23.662  11.334  -3.149622      14.49840 
1 1 1 -11 -52 25 o 22.702  9.4644  81.048     86.612   25.696     95.857   327.205    202.145  19.977  9.0754  31.509  13.813  -11.53292      16.52749 
1 1 1 -11 -52 26 f 26.451  8.6318  119.110    63.677   191.470    96.899   64.112     84.479   30.887  10.654  21.561  9.1861  9.325722       14.06721 
1 1 1 -11 -52 27 o 13.185  6.2204  -34.6739   51.901   -104.9432  76.131   26.343     70.942   13.562  6.6644  18.554  8.1569  -4.992269      10.53329 
1 1 1 -11 -52 28 o 25.965  8.7143  115.138    64.770   146.242    85.019   72.115     99.989   27.836  9.9486  22.464  9.7844  5.372458       13.95381 
1 1 1 -11 -52 29 o 22.726  8.4090  83.085     61.467   111.113    81.877   46.888     93.046   24.965  9.6004  20.913  9.2611  4.051956       13.33925 
1 1 1 -11 -52 30 o 24.820  8.6816  104.105    64.454   41.402     86.406   182.761    96.776   20.331  8.9677  30.212  10.634  -9.880592      13.91023 
1 1 1 -11 -52 31 o 17.017  7.5383  12.941     61.698   16.721     84.976   8.7261     89.727   18.969  8.5888  18.894  8.6584  0.7455444E-01  12.19572 
1 1 1 -11 -52 32 o 19.345  7.9988  45.716     61.137   62.508     87.979   30.035     85.018   21.617  9.2962  19.657  8.7698  1.960024       12.78001 
1 1 1 -11 -52 33 o 19.582  7.9736  49.459     59.580   56.747     88.715   43.472     80.413   21.310  9.2490  20.175  8.7811  1.134552       12.75354 
1 1 1 -11 -52 34 o 17.003  7.4416  16.926     58.461   7.1665     86.674   25.072     79.186   18.633  8.5281  19.049  8.4837  -0.4159966     12.02923 
1 1 1 -11 -52 35 o 18.467  7.8626  33.732     61.817   140.101    107.436  -18.9114   75.581   26.545  10.744  16.580  7.7196  9.965679       13.23011 
1 1 1 -11 -52 36 f 44.674  7.6424  307.372    79.864   256.637    108.090  368.368    118.518  35.447  11.216  43.627  11.153  -8.179485      15.81773 
1 1 1 -11 -52 37 o 20.525  9.0415  43.533     87.555   43.533     87.555   0.0000     0.0000   20.525  9.0415  ?       ?       0.000000       9.041520 
1 1 1 -11 -52 38 o 18.616  8.5302  6.0201     87.062   60.361     103.512  -125.3685  160.956  22.015  9.7574  19.223  9.4930  2.791327       13.61341 
1 1 1 -11 -52 39 f 19.900  7.2561  57.530     45.508   -49.4745   106.236  81.578     50.363   17.875  8.5640  22.782  7.6841  -4.906370      11.50598 
1 1 1 -11 -52 40 o 25.490  7.0114  99.455     44.721   79.868     95.159   105.007    50.664   22.873  9.7474  25.754  7.5915  -2.881174      12.35484 
1 1 1 -11 -52 41 o 18.427  6.9081  46.067     41.752   77.802     91.647   37.755     46.901   22.694  9.6144  17.812  7.1378  4.881502       11.97432 
1 1 1 -11 -52 42 o 31.561  6.5087  146.359    48.188   33.631     97.574   182.724    55.418   20.535  9.2591  35.144  6.7442  -14.60909      11.45492 
1 1 1 -11 -52 43 o 20.523  8.4576  55.886     68.042   169.800    169.600  34.034     74.282   27.146  12.227  19.326  8.4251  7.819963       14.84842 
1 1 1 -11 -52 44 o 15.627  7.1844  -13.0811   62.465   -39.1436   172.647  -9.1555    67.005   21.479  10.442  16.296  7.4731  5.183092       12.84085 
1 1 1 -11 -52 45 o 32.089  9.8577  187.843    84.155   430.710    195.769  132.790    93.207   37.116  14.677  26.576  10.237  10.53935       17.89428 
1 1 1 -11 -52 46 o 14.320  6.6713  -25.2470   56.585   -150.5261  188.344  -12.8174   59.325   20.101  9.9861  15.305  7.0234  4.795978       12.20861 
1 1 1 -11 -52 47 f 25.797  8.1387  108.471    56.943   0.0000     0.0000   108.471    56.943   ?       ?       25.797  8.1387  0.000000       8.138743 
1 1 1 -11 -52 48 o 11.849  5.6292  -38.4306   43.936   0.0000     0.0000   -38.4306   43.936   ?       ?       11.849  5.6292  0.000000       5.629194 
1 1 1 -11 -52 49 o 16.084  6.7709  21.366     44.988   166.636    104.107  -11.9903   49.886   28.498  10.857  14.179  6.4824  14.31851       12.64516 
1 1 1 -11 -52 50 o 21.401  8.1940  70.049     59.483   57.148     101.740  76.749     73.320   21.701  9.6434  22.177  8.9112  -0.4754028     13.13027 
1 1 1 -11 -52 51 o 15.154  7.0829  -24.6329   64.607   -92.4786   142.666  -7.1299    72.463   18.778  9.2067  16.752  7.7152  2.025888       12.01194 
1 1 1 -11 -52 52 o 13.687  6.4659  -34.7523   56.424   -210.1154  141.512  -1.6038    61.526   16.498  8.2663  15.973  7.2622  0.5245571      11.00324 
1 1 1 -11 -52 53 o 19.701  8.1294  53.122     62.965   51.316     157.609  53.465     68.684   22.385  10.643  19.942  8.3790  2.442961       13.54549 
1 1 1 -11 -52 54 o 16.951  7.5623  15.639     63.216   -115.4962  144.559  46.647     70.294   17.970  8.8962  19.374  8.3200  -1.404289      12.18050 
1 1 1 -11 -51 7  o 25.092  9.4441  118.503    78.182   85.375     101.834  166.061    122.014  22.603  9.8587  26.721  11.194  -4.118113      14.91670 
1 1 1 -11 -51 8  o 19.817  8.3717  49.943     69.168   57.278     94.786   41.587     101.161  21.208  9.3715  20.669  9.3638  0.5383358      13.24785 
1 1 1 -11 -51 9  o 37.172  8.8673  233.705    78.860   256.989    110.772  209.777    112.292  34.745  11.387  30.823  11.374  3.921564       16.09422 
1 1 1 -11 -51 10 o 25.583  8.7825  112.131    65.812   197.778    101.546  50.101     86.418   31.038  10.895  20.802  9.0774  10.23623       14.18080 
1 1 1 -11 -51 11 o 23.482  8.5964  90.208     63.963   140.881    98.576   53.358     84.062   26.930  10.484  20.988  9.0562  5.942276       13.85410 
1 1 1 -11 -51 12 o 26.659  8.6536  119.572    64.030   160.614    97.564   88.520     84.862   28.588  10.591  23.400  9.5209  5.187334       14.24138 
1 1 1 -11 -51 13 o 21.178  8.3657  64.722     63.540   108.984    98.196   32.838     83.340   24.899  10.199  19.864  8.7820  5.035061       13.45865 
1 1 1 -11 -51 14 o 34.330  8.7489  195.203    73.090   224.355    111.711  173.383    96.647   32.764  11.431  29.799  10.612  2.965857       15.59744 
1 1 1 -11 -51 15 o 10.647  5.3041  -115.8440  54.634   -85.1766   86.912   -135.8793  70.249   15.325  7.4406  12.158  6.0499  3.166253       9.589728 
1 1 1 -11 -51 16 o 18.807  7.7928  39.779     58.208   -41.4877   90.425   97.278     76.062   17.057  8.0957  24.119  9.2584  -7.061691      12.29871 
1 1 1 -11 -51 17 o 13.771  6.4731  -33.1958   55.271   -32.4623   90.849   -33.6268   69.643   17.417  8.2208  15.431  7.2574  1.985572       10.96595 
1 1 1 -11 -51 18 o 14.019  6.4788  -19.7480   51.755   -61.4162   76.185   15.961     70.527   15.019  7.2106  18.032  8.0202  -3.013104      10.78504 
1 1 1 -11 -51 19 o 24.688  8.2493  99.070     58.039   122.951    81.501   74.498     82.671   26.207  9.6857  22.417  9.2877  3.790834       13.41918 
1 1 1 -11 -51 20 o 50.776  6.2203  367.046    75.033   313.962    105.807  420.748    106.422  41.348  10.521  50.688  8.9816  -9.340763      13.83301 
1 1 1 -11 -51 21 o 25.221  8.3473  104.137    59.471   85.467     83.026   123.808    85.225   23.218  9.4287  26.188  9.8596  -2.969721      13.64226 
1 1 1 -11 -51 22 o 16.500  7.6343  -16.0944   72.165   -59.4648   80.752   155.898    160.810  15.565  7.4595  26.983  12.048  -11.41831      14.17035 
1 1 1 -11 -51 23 o 34.746  10.227  222.314    92.005   187.439    109.480  306.162    169.753  30.123  11.207  33.421  13.513  -3.298176      17.55599 
1 1 1 -11 -51 24 o 18.337  8.2721  10.284     77.983   -24.8057   85.883   175.134    186.149  17.353  8.1284  27.542  12.564  -10.18880      14.96428 
1 1 1 -11 -51 25 o 21.150  8.9543  56.125     79.404   59.729     87.230   38.699     191.805  21.683  9.2886  23.941  11.480  -2.257656      14.76697 
1 1 1 -11 -51 26 o 26.576  10.168  129.294    91.555   117.250    102.909  175.016    200.514  25.553  10.451  27.534  12.735  -1.981050      16.47392 
1 1 1 -11 -51 27 o 28.992  10.345  158.568    91.891   124.836    102.933  290.987    203.940  26.077  10.530  31.247  13.780  -5.169931      17.34290 
1 1 1 -11 -51 28 o 34.906  10.536  228.224    96.716   241.337    107.486  172.449    221.679  34.846  11.202  27.467  12.927  7.378637       17.10544 
1 1 1 -11 -51 29 o 33.431  10.482  209.761    94.608   235.494    106.266  111.405    207.755  34.499  11.143  25.993  12.318  8.506201       16.60997 
1 1 1 -11 -51 30 o 26.427  9.7824  123.687    83.202   48.057     90.713   524.458    208.819  21.224  9.2797  41.444  15.467  -20.22017      18.03680 
1 1 1 -11 -51 31 o 15.952  7.0910  4.1111     55.054   38.275     82.875   -22.8729   73.653   20.284  8.8692  16.400  7.6307  3.883980       11.70003 
1 1 1 -11 -51 32 o 37.457  7.6615  214.683    67.284   163.007    99.147   258.801    91.609   29.041  10.692  38.619  9.7691  -9.578274      14.48274 
1 1 1 -11 -51 33 o 26.184  8.4180  111.862    60.699   85.010     92.311   132.316    80.565   23.505  9.7826  27.307  9.6925  -3.802019      13.77112 
1 1 1 -11 -51 34 o 29.588  8.3905  142.378    63.011   174.094    95.519   117.942    83.842   30.168  10.568  25.930  9.7758  4.237482       14.39599 
1 1 1 -11 -51 35 o 31.979  10.788  198.480    99.277   198.480    99.277   0.0000     0.0000   31.979  10.788  ?       ?       0.000000       10.78848 
1 1 1 -11 -51 36 o 27.640  10.374  143.002    94.214   143.002    94.214   0.0000     0.0000   27.640  10.374  ?       ?       0.000000       10.37423 
1 1 1 -11 -51 37 o 22.061  9.1460  68.221     80.240   86.698     92.293   11.014     162.398  23.580  9.7951  22.605  10.763  0.9754353      14.55308 
1 1 1 -11 -51 38 o 16.214  6.7394  22.879     43.729   133.707    90.322   -11.0532   49.977   27.006  10.154  14.350  6.5324  12.65556       12.07336 
1 1 1 -11 -51 39 o 34.938  5.4040  168.346    44.332   219.436    103.693  156.918    49.040   33.327  11.022  32.973  6.3600  0.3536339      12.72515 
1 1 1 -11 -51 40 o 16.253  6.5961  26.451     40.605   41.126     93.673   23.056     45.059   20.951  9.2844  16.359  6.8238  4.592697       11.52230 
1 1 1 -11 -51 41 o 30.670  6.6069  138.006    47.715   161.468    101.461  131.344    54.067   28.723  10.769  29.076  7.5843  -0.3531723     13.17150 
1 1 1 -11 -51 42 o 36.594  6.0737  189.976    52.039   212.438    104.007  182.475    60.104   32.677  11.042  34.690  7.3680  -2.013836      13.27487 
1 1 1 -11 -51 43 o 18.701  7.0530  46.687     43.652   80.241     96.259   38.001     48.978   23.228  9.8479  18.101  7.2797  5.127337       12.24642 
1 1 1 -11 -51 44 o 20.964  6.9999  64.940     41.790   -81.3553   95.874   99.255     46.433   16.303  7.8912  25.493  7.1934  -9.190601      10.67780 
1 1 1 -11 -51 45 o 15.218  7.0254  -18.6796   60.603   34.035     186.696  -24.8883   64.072   23.836  11.402  15.297  7.1174  8.539597       13.44130 
1 1 1 -11 -51 46 o 15.795  7.2627  -14.8303   63.875   0.0000     0.0000   -14.8303   63.875   ?       ?       15.795  7.2627  0.000000       7.262748 
1 1 1 -11 -51 47 o 23.419  9.2163  86.399     76.851   0.0000     0.0000   86.399     76.851   ?       ?       23.419  9.2163  0.000000       9.216325 
1 1 1 -11 -51 48 o 11.284  5.3473  -35.1796   39.160   -106.8515  98.134   -21.6049   42.708   15.830  7.7347  12.668  5.8654  3.162263       9.707115 
1 1 1 -11 -51 49 o 15.170  6.5951  8.7171     45.258   12.834     93.150   7.4449     51.780   19.600  8.9204  15.831  6.9642  3.768130       11.31698 
1 1 1 -11 -51 50 o 30.213  7.0263  136.892    50.535   160.731    103.265  129.385    57.948   28.636  10.836  28.472  8.0367  0.1640034      13.49130 
1 1 1 -11 -51 51 o 28.717  7.3577  126.734    51.499   273.456    105.409  80.732     59.022   37.864  10.890  22.724  8.2669  15.13948       13.67251 
1 1 1 -11 -51 52 o 28.836  9.1999  144.951    72.605   156.094    151.586  141.634    82.709   26.992  11.893  27.825  9.8266  -0.8332539     15.42757 
1 1 1 -11 -51 53 o 29.463  8.9780  149.954    69.981   106.913    155.855  160.824    78.321   24.896  11.410  29.837  9.5590  -4.940975      14.88475 
1 1 1 -11 -51 54 o 20.228  8.2302  56.178     63.412   -88.1031   162.679  82.029     68.859   19.856  9.7546  22.538  8.7660  -2.681969      13.11468 
1 1 1 -11 -51 55 o 17.992  7.7615  29.879     61.710   -56.7389   151.952  46.986     67.530   19.832  9.6757  19.551  8.2663  0.2813148      12.72597 
1 1 1 -11 -50 5  o 23.699  9.8448  98.292     93.233   138.456    316.047  94.464     97.575   25.563  12.738  23.475  9.9315  2.088539       16.15227 
1 1 1 -11 -50 6  o 15.365  7.1546  -22.4325   64.951   -75.3679   90.064   34.929     93.755   15.796  7.6466  20.342  9.1326  -4.545467      11.91112 
1 1 1 -11 -50 7  o 26.209  9.3594  120.776    75.232   16.750     106.716  223.554    106.074  20.331  9.3631  33.111  11.152  -12.78035      14.56120 
1 1 1 -11 -50 8  o 16.399  7.4629  -5.3011    65.169   5.5842     91.481   -16.5168   92.859   19.078  8.7425  18.242  8.5147  0.8354282      12.20378 
1 1 1 -11 -50 9  o 28.140  8.9431  133.844    68.658   206.678    100.742  70.674     93.821   32.576  10.868  22.648  9.6658  9.927265       14.54461 
1 1 1 -11 -50 10 o 22.664  8.5148  78.935     63.496   101.487    100.492  63.949     81.921   24.721  10.241  21.899  9.1734  2.821995       13.74882 
1 1 1 -11 -50 11 o 17.698  7.6947  19.787     61.612   41.969     97.754   5.1674     79.359   21.315  9.4632  18.306  8.2932  3.009928       12.58289 
1 1 1 -11 -50 12 o 36.678  8.3351  213.210    72.495   250.311    112.052  186.500    95.075   35.356  11.445  31.431  10.558  3.924303       15.57095 
1 1 1 -11 -50 13 o 21.740  8.4349  69.004     63.639   30.029     104.795  91.774     80.099   21.064  9.5377  23.904  9.4085  -2.839872      13.39732 
1 1 1 -11 -50 14 o 24.997  8.6725  102.087    64.255   -0.1434    99.073   176.309    84.417   19.441  8.9775  31.331  9.9121  -11.89013      13.37327 
1 1 1 -11 -50 15 o 19.825  8.1297  47.496     62.483   24.034     93.742   66.253     83.817   20.189  9.0919  22.113  9.2717  -1.923857      12.98570 
1 1 1 -11 -50 16 o 33.817  8.1660  180.891    66.248   235.666    101.985  140.906    87.135   35.139  10.861  27.853  10.058  7.286596       14.80307 
1 1 1 -11 -50 17 o 17.756  7.4781  28.276     54.919   -51.4083   76.444   113.275    78.952   15.526  7.3905  25.723  9.5278  -10.19684      12.05812 
1 1 1 -11 -50 18 o 24.104  8.1921  91.861     57.247   -4.8365    80.725   189.690    81.196   17.927  8.2142  33.067  9.5716  -15.13997      12.61307 
1 1 1 -11 -50 19 o 35.703  7.5977  193.977    63.798   170.046    89.385   218.828    91.087   30.421  10.237  34.924  10.146  -4.503386      14.41324 
1 1 1 -11 -50 20 o 19.867  7.8895  50.682     56.790   -57.4635   79.235   164.924    81.438   15.623  7.4606  30.589  9.7418  -14.96611      12.27047 
1 1 1 -11 -50 21 o 38.241  7.3178  217.905    65.427   154.464    92.534   281.330    92.522   28.955  10.376  41.016  9.4858  -12.06043      14.05831 
1 1 1 -11 -50 22 o 30.274  7.9765  143.386    59.414   76.639     89.573   195.822    79.393   23.145  9.6350  34.098  9.3267  -10.95290      13.40970 
1 1 1 -11 -50 23 o 18.547  7.5046  38.579     52.396   -66.9591   76.871   130.161    71.608   15.084  7.2420  27.840  9.1569  -12.75616      11.67456 
1 1 1 -11 -50 24 o 18.020  7.4612  31.700     53.303   33.879     76.339   29.627     74.460   19.860  8.5997  19.466  8.4612  0.3937931      12.06428 
1 1 1 -11 -50 25 o 12.639  6.0006  -43.4574   49.765   -29.4538   71.188   -56.8418   69.597   16.010  7.4670  14.675  7.0038  1.335211       10.23765 
1 1 1 -11 -50 26 o 26.191  9.6059  115.072    79.921   125.496    87.850   65.025     192.498  26.927  10.035  25.408  11.985  1.518709       15.63132 
1 1 1 -11 -50 27 o 23.877  9.5578  86.404     83.995   73.542     93.337   141.180    192.614  23.229  9.7642  27.602  12.662  -4.372747      15.98987 
1 1 1 -11 -50 28 f 30.290  10.168  163.083    88.180   186.245    98.524   69.829     197.693  31.692  10.747  25.719  12.136  5.972895       16.21034 
1 1 1 -11 -50 29 o 24.836  9.7857  98.136     86.737   81.971     96.705   164.650    196.159  23.890  9.9836  28.424  12.940  -4.534517      16.34364 
1 1 1 -11 -50 30 o 33.436  10.630  203.886    96.998   228.525    110.326  119.989    203.581  34.426  11.368  27.169  12.657  7.256556       17.01247 
1 1 1 -11 -50 31 o 34.308  10.573  212.929    96.717   223.482    117.468  190.720    170.416  33.448  11.719  29.578  12.828  3.870575       17.37534 
1 1 1 -11 -50 32 o 32.740  8.4551  169.516    67.637   87.207     115.798  212.139    83.329   24.654  10.634  35.655  9.4714  -11.00151      14.24013 
1 1 1 -11 -50 33 o 32.278  8.1488  162.179    63.830   186.250    93.848   141.458    87.072   32.067  10.480  28.410  10.077  3.656925       14.53870 
1 1 1 -11 -50 34 o 17.942  8.2552  -12.4695   82.699   -12.4695   82.699   0.0000     0.0000   17.942  8.2552  ?       ?       0.000000       8.255212 
1 1 1 -11 -50 35 o 19.950  8.8626  23.264     85.868   23.264     85.868   0.0000     0.0000   19.950  8.8626  ?       ?       0.000000       8.862578 
1 1 1 -11 -50 36 o 16.390  7.6479  -29.8986   74.822   -16.0427   86.350   -71.6463   149.887  18.068  8.3566  20.514  9.9137  -2.445951      12.96588 
1 1 1 -11 -50 37 o 26.461  9.3642  116.874    75.148   181.912    94.547   5.3054     123.832  31.496  10.529  21.346  9.9195  10.14990       14.46559 
1 1 1 -11 -50 38 o 10.877  4.9550  -12.4470   28.827   -41.6606   83.330   -8.4758    30.723   16.710  7.8830  11.584  5.2121  5.125798       9.450272 
1 1 1 -11 -50 39 o 26.270  7.1310  103.464    46.620   191.523    92.252   73.262     54.026   32.482  10.371  22.184  7.9304  10.29823       13.05561 
1 1 1 -11 -50 40 o 34.525  5.3751  163.023    43.563   155.213    100.755  164.818    48.313   28.798  10.744  34.235  6.0367  -5.437054      12.32386 
1 1 1 -11 -50 41 o 24.089  6.3815  84.296     37.895   42.079     100.811  91.243     40.894   21.626  9.6050  24.921  6.6423  -3.295195      11.67802 
1 1 1 -11 -50 42 f 39.897  5.5433  218.575    52.213   228.969    106.908  215.319    59.834   34.364  11.183  38.694  6.6103  -4.329704      12.99065 
1 1 1 -11 -50 43 o 24.763  7.1672  92.446     45.528   49.253     98.560   104.163    51.333   21.855  9.6112  25.973  7.6373  -4.118013      12.27609 
1 1 1 -11 -50 44 o 30.447  6.7322  135.715    48.415   114.917    102.279  141.721    54.962   25.786  10.467  30.515  7.4809  -4.728773      12.86570 
1 1 1 -11 -50 45 o 22.777  8.0496  79.144     55.511   0.0000     0.0000   79.144     55.511   ?       ?       22.777  8.0496  0.000000       8.049629 
1 1 1 -11 -50 46 o 19.566  8.3390  36.905     69.659   0.0000     0.0000   36.905     69.659   ?       ?       19.566  8.3390  0.000000       8.339004 
1 1 1 -11 -50 47 o 17.935  7.9213  14.227     67.633   213.719    175.987  -20.3422   73.259   29.904  13.003  16.596  7.6834  13.30794       15.10341 
1 1 1 -11 -50 48 o 11.964  5.7631  -57.5354   49.647   -156.2608  111.527  -33.1366   55.443   15.915  7.8671  13.930  6.5270  1.984674       10.22218 
1 1 1 -11 -50 49 o 27.826  7.5570  118.554    52.342   -24.8167   135.682  143.621    56.733   20.905  9.9203  30.627  7.6553  -9.721872      12.53061 
1 1 1 -11 -50 50 o 18.805  7.3062  44.179     47.796   21.341     97.671   51.370     54.807   20.493  9.2499  19.910  7.7992  0.5834904      12.09914 
1 1 1 -11 -50 51 o 21.915  7.4590  71.304     47.460   230.635    102.260  27.564     53.580   35.045  10.883  17.674  7.4119  17.37125       13.16737 
1 1 1 -11 -50 52 o 25.303  7.6111  98.712     50.532   168.027    104.627  77.624     57.709   29.504  10.960  22.610  8.1823  6.894119       13.67759 
1 1 1 -11 -50 53 o 16.657  7.4162  5.3996     60.464   163.254    144.810  -27.9315   66.542   27.999  11.980  15.486  7.2213  12.51320       13.98840 
1 1 1 -11 -50 54 o 14.238  6.6606  -30.3103   57.338   -53.8360   142.801  -25.7885   62.606   20.192  9.7378  15.098  7.0285  5.093287       12.00937 
1 1 1 -11 -50 55 o 15.341  7.0612  -15.3654   60.579   215.039    150.779  -59.7177   66.154   29.776  12.457  13.987  6.7163  15.78864       14.15209 
1 1 1 -11 -50 56 o 23.313  8.8080  89.408     68.156   242.655    164.968  57.866     74.841   30.033  12.817  20.878  8.7579  9.155161       15.52351 
1 1 1 -11 -49 3  o 25.930  10.523  128.233    103.350  0.0000     0.0000   128.233    103.350  ?       ?       25.930  10.523  0.000000       10.52320 
1 1 1 -11 -49 4  f 24.449  10.165  100.385    99.507   354.281    310.448  71.313     105.049  29.981  14.434  22.887  9.9971  7.094357       17.55823 
1 1 1 -11 -49 5  o 26.727  10.337  130.118    95.341   -59.8418   292.150  152.761    100.863  24.499  12.214  28.267  10.706  -3.768534      16.24214 
1 1 1 -11 -49 6  o 19.645  9.0023  5.5087     96.988   -23.0858   274.418  9.5904     103.679  24.900  12.315  20.232  9.2847  4.668144       15.42258 
1 1 1 -11 -49 7  o 27.056  10.774  133.408    106.175  -164.6717  279.624  183.624    114.770  23.420  11.718  30.274  11.432  -6.853537      16.37041 
1 1 1 -11 -49 8  o 34.955  11.767  247.198    118.098  188.832    297.766  258.092    128.649  28.560  13.845  34.838  12.261  -6.278191      18.49322 
1 1 1 -11 -49 9  o 42.585  10.469  318.888    107.411  385.764    339.906  311.470    113.212  31.493  15.148  41.067  11.098  -9.574179      18.77815 
1 1 1 -11 -49 10 o 18.123  8.2669  -3.1207    80.567   0.0000     0.0000   -3.1207    80.567   ?       ?       18.123  8.2669  0.000000       8.266891 
1 1 1 -11 -49 11 o 34.831  10.657  223.568    98.477   254.109    323.273  220.444    103.391  29.454  14.312  34.054  10.991  -4.600458      18.04508 
1 1 1 -11 -49 12 o 14.550  6.9068  -48.5880   65.880   -34.0673   213.084  -50.1227   69.274   23.596  11.500  14.883  7.0703  8.712472       13.49967 
1 1 1 -11 -49 13 o 20.108  8.7631  34.094     80.302   272.719    218.843  -3.0345    86.324   31.177  13.978  18.582  8.5069  12.59576       16.36327 
1 1 1 -11 -49 14 o 22.023  9.1108  63.878     79.379   248.061    206.630  31.991     85.976   30.705  13.687  20.350  8.9622  10.35563       16.36055 
1 1 1 -11 -49 15 o 32.066  10.054  182.128    87.044   222.342    275.631  177.674    91.739   29.307  13.973  31.269  10.368  -1.962433      17.39969 
1 1 1 -11 -49 16 o 35.945  8.9430  209.471    77.682   231.250    224.786  206.517    82.782   30.057  13.748  35.026  9.5002  -4.968149      16.71143 
1 1 1 -11 -49 17 o 40.516  8.5240  256.829    81.144   545.394    217.618  210.230    87.451   43.526  15.868  34.953  9.8751  8.572784       18.68983 
1 1 1 -11 -49 18 o 42.746  6.5060  258.846    65.351   277.049    97.935   244.236    87.744   40.317  10.047  38.438  9.4697  1.879375       13.80669 
1 1 1 -11 -49 19 o 28.580  8.1833  127.676    59.640   152.762    86.766   105.208    82.114   29.562  10.085  25.488  9.6588  4.073704       13.96439 
1 1 1 -11 -49 20 o 16.496  7.1578  11.421     53.107   -18.5287   73.519   44.102     76.798   16.885  7.7743  20.763  8.7990  -3.877819      11.74147 
1 1 1 -11 -49 21 o 35.667  7.5177  188.691    63.010   211.434    94.139   170.234    84.808   34.740  10.375  31.516  9.9312  3.223269       14.36174 
1 1 1 -11 -49 22 o 35.446  7.3397  184.442    61.048   263.449    90.028   117.188    83.062   40.417  9.3636  26.702  9.7929  13.71528       13.54912 
1 1 1 -11 -49 23 o 35.274  7.5768  184.361    62.914   192.705    93.894   177.562    84.754   33.156  10.450  32.399  9.8820  0.7576332      14.38242 
1 1 1 -11 -49 24 o 24.566  9.2530  91.550     75.076   234.217    201.078  68.440     80.929   31.743  13.849  22.853  9.2979  8.889315       16.68085 
1 1 1 -11 -49 25 o 21.847  9.0480  55.560     78.414   78.805     173.360  49.581     87.922   26.279  12.040  21.950  9.3620  4.329678       15.25140 
1 1 1 -11 -49 26 o 33.931  7.9444  173.156    64.254   213.922    84.107   116.012    99.578   36.348  9.4489  26.751  10.503  9.597101       14.12756 
1 1 1 -11 -49 27 o 39.305  7.5033  225.526    68.948   203.861    91.559   253.904    104.790  34.648  10.203  38.104  10.826  -3.456001      14.87599 
1 1 1 -11 -49 28 o 18.231  7.7423  23.660     59.658   -37.9319   76.928   116.590    94.494   16.515  7.7224  26.845  10.316  -10.32982      12.88619 
1 1 1 -11 -49 29 o 19.979  8.3986  36.647     69.060   55.713     74.373   -82.6943   186.070  21.725  8.8845  22.663  10.976  -0.9386711     14.12104 
1 1 1 -11 -49 30 o 36.140  10.671  226.831    100.033  272.651    116.205  95.722     196.568  38.669  11.522  27.462  12.669  11.20652       17.12447 
1 1 1 -11 -49 31 o 22.734  9.4356  62.123     85.540   64.376     105.213  57.732     146.914  23.718  10.182  24.975  11.302  -1.256174      15.21208 
1 1 1 -11 -49 32 o 38.904  12.030  286.312    125.101  286.312    125.101  0.0000     0.0000   38.904  12.030  ?       ?       0.000000       12.03013 
1 1 1 -11 -49 33 o 31.305  11.625  182.458    117.695  182.458    117.695  0.0000     0.0000   31.305  11.625  ?       ?       0.000000       11.62545 
1 1 1 -11 -49 34 o 26.635  10.685  113.226    105.230  113.226    105.230  0.0000     0.0000   26.635  10.685  ?       ?       0.000000       10.68509 
1 1 1 -11 -49 35 o 22.317  8.2969  69.968     59.980   125.383    92.428   29.654     78.833   27.491  10.284  20.182  8.7392  7.308464       13.49556 
1 1 1 -11 -49 36 o 10.956  5.2769  -52.7835   41.607   -100.8515  81.976   -36.1034   48.290   14.765  7.1820  12.902  6.0599  1.862999       9.396984 
1 1 1 -11 -49 37 o 35.027  5.2170  164.814    42.986   130.017    97.551   173.200    47.886   27.705  10.521  35.574  5.7433  -7.869450      11.98621 
1 1 1 -11 -49 38 o 39.254  4.9836  204.908    46.397   231.889    97.106   196.926    52.816   36.599  10.429  37.795  5.9565  -1.196045      12.01019 
1 1 1 -11 -49 39 o 31.426  5.7622  136.219    42.319   169.779    97.466   128.423    46.978   30.807  10.682  29.917  6.6446  0.8905010      12.57954 
1 1 1 -11 -49 40 o 14.438  5.8817  16.610     32.438   38.709     96.575   13.799     34.438   21.638  9.5149  14.405  5.9835  7.233254       11.23988 
1 1 1 -11 -49 41 o 29.165  6.0458  119.423    41.379   91.939     104.535  124.529    45.060   24.899  10.390  29.517  6.4700  -4.618000      12.24023 
1 1 1 -11 -49 42 o 30.832  5.8961  132.423    42.502   189.251    101.059  120.212    46.847   32.040  10.885  28.726  6.8224  3.313919       12.84594 
1 1 1 -11 -49 43 o 36.329  6.3084  185.984    53.591   109.634    137.760  199.598    58.173   26.251  11.458  37.375  6.6588  -11.12459      13.25216 
1 1 1 -11 -49 44 o 41.378  6.5508  243.004    63.581   0.0000     0.0000   243.004    63.581   ?       ?       41.378  6.5508  0.000000       6.550819 
1 1 1 -11 -49 45 o 37.219  7.1888  203.200    62.571   0.0000     0.0000   203.200    62.571   ?       ?       37.219  7.1888  0.000000       7.188797 
1 1 1 -11 -49 46 o 28.618  7.1122  121.519    49.171   138.581    106.474  116.894    55.436   27.701  10.865  27.497  7.8944  0.2041779      13.43029 
1 1 1 -11 -49 47 o 20.561  8.0647  55.268     58.661   84.191     93.693   36.620     75.231   23.978  9.9071  20.070  8.6126  3.907856       13.12740 
1 1 1 -11 -49 48 o 16.690  7.4703  0.5153     62.226   -21.9130   118.858  8.9834     73.034   20.224  9.5016  18.219  8.1282  2.004927       12.50392 
1 1 1 -11 -49 49 o 33.472  9.0272  182.674    74.996   33.367     146.859  235.346    87.227   23.435  10.860  37.610  9.5430  -14.17493      14.45692 
1 1 1 -11 -49 50 o 15.072  6.9367  -20.2537   58.443   105.488    120.893  -58.6023   66.763   25.772  10.985  14.325  6.8431  11.44703       12.94201 
1 1 1 -11 -49 51 o 43.112  5.5304  252.845    56.517   362.963    110.422  213.757    65.788   46.514  10.075  38.051  7.3918  8.462566       12.49604 
1 1 1 -11 -49 52 o 31.150  7.1890  143.512    53.233   112.220    105.156  154.294    61.727   26.032  10.596  31.620  8.0303  -5.588434      13.29493 
1 1 1 -11 -49 53 o 22.900  7.3931  78.023     46.781   44.977     101.008  87.047     52.784   21.999  9.7000  23.913  7.8616  -1.913801      12.48577 
1 1 1 -11 -49 54 o 17.274  7.7077  4.8663     65.695   109.474    149.678  -20.0938   73.114   26.160  11.656  16.675  7.7043  9.484982       13.97222 
1 1 1 -11 -49 55 o 18.523  7.8916  29.034     62.343   -101.7565  154.650  54.413     68.123   19.984  9.7523  20.824  8.5080  -0.8400574     12.94193 
1 1 1 -11 -49 56 o 18.312  8.0249  20.436     68.186   63.630     158.833  10.677     75.496   24.250  11.257  18.319  8.2118  5.930653       13.93414 
1 1 1 -11 -49 57 o 20.228  8.3214  51.444     65.728   16.480     172.518  57.381     71.090   22.993  10.988  20.920  8.6355  2.073454       13.97551 
1 1 1 -11 -48 1  o 16.754  7.6416  -5.5492    68.817   -49.2861   90.521   54.344     105.929  16.855  8.0282  22.108  9.8313  -5.253580      12.69279 
1 1 1 -11 -48 2  o 23.422  9.0059  85.696     72.044   217.179    95.278   -89.8551   110.093  34.337  10.479  17.326  8.4034  17.01165       13.43192 
1 1 1 -11 -48 3  o 18.243  7.9775  19.208     67.061   -53.6634   95.172   91.065     94.507   17.315  8.2433  24.282  9.9825  -6.966965      12.94614 
1 1 1 -11 -48 4  o 36.821  8.9646  219.019    79.342   74.364     108.611  384.546    116.183  23.761  10.273  47.271  10.411  -23.50979      14.62623 
1 1 1 -11 -48 5  f 48.155  8.0186  349.914    90.399   339.821    121.433  362.459    135.388  42.791  11.464  42.706  12.359  0.8492661E-01  16.85763 
1 1 1 -11 -48 6  o 18.576  8.1360  18.544     69.993   -6.0287    93.944   49.203     104.935  19.205  8.8225  22.454  9.8943  -3.248297      13.25645 
1 1 1 -11 -48 7  o 28.514  8.9200  132.289    68.554   166.951    103.274  104.983    91.662   30.004  10.932  25.484  10.054  4.519379       14.85246 
1 1 1 -11 -48 8  o 21.603  9.0184  55.843     78.790   -136.0382  301.416  69.915     81.628   24.668  12.316  22.713  9.3003  1.955530       15.43283 
1 1 1 -11 -48 9  o 15.514  7.3284  -45.6259   72.461   -34.3566   302.563  -46.3116   74.633   25.880  12.822  15.723  7.4303  10.15700       14.81969 
1 1 1 -11 -48 10 o 20.120  8.9126  24.668     86.246   568.470    306.637  -22.0466   89.874   37.273  16.640  18.177  8.4481  19.09633       18.66196 
1 1 1 -11 -48 11 o 21.926  9.0877  60.006     79.194   -14.0019   235.107  69.478     84.109   24.930  12.135  22.778  9.3969  2.152086       15.34791 
1 1 1 -11 -48 12 o 19.802  8.6440  27.818     78.427   264.512    214.186  -8.8307    84.280   31.814  14.071  18.320  8.3938  13.49470       16.38478 
1 1 1 -11 -48 13 o 29.294  10.039  148.501    85.983   82.233     216.724  160.880    93.670   26.690  12.628  30.038  10.468  -3.348930      16.40271 
1 1 1 -11 -48 14 o 15.866  7.2720  -17.4762   63.329   -80.4510   190.081  -9.6131    67.166   22.489  10.939  16.717  7.5954  5.772507       13.31703 
1 1 1 -11 -48 15 o 24.820  8.9643  95.398     69.218   -80.9392   195.105  120.789    74.034   22.770  11.077  27.246  9.3159  -4.475708      14.47347 
1 1 1 -11 -48 16 o 37.492  9.2821  226.003    83.990   264.314    208.933  218.619    91.728   32.678  14.189  35.905  10.103  -3.226757      17.41812 
1 1 1 -11 -48 17 o 41.247  9.4171  272.103    92.176   183.409    209.877  293.299    102.600  30.083  13.571  41.959  10.181  -11.87598      16.96521 
1 1 1 -11 -48 18 o 34.608  10.186  202.540    91.278   250.002    202.374  190.419    102.272  32.745  14.091  32.689  10.950  0.5680847E-01  17.84542 
1 1 1 -11 -48 19 o 18.672  8.3106  6.6882     75.866   80.198     182.937  -8.5804    83.373   26.875  12.333  18.552  8.4420  8.323614       14.94574 
1 1 1 -11 -48 20 o 38.298  9.6548  235.971    89.694   290.151    200.618  222.435    100.274  34.923  14.469  35.957  10.700  -1.034611      17.99546 
1 1 1 -11 -48 21 o 17.298  7.5709  7.9228     60.513   -126.5064  174.586  26.278     64.512   21.454  10.446  18.983  8.0559  2.470030       13.19131 
1 1 1 -11 -48 22 o 22.777  8.7193  69.830     67.347   382.591    171.993  13.192     73.191   42.201  14.200  18.923  8.3031  23.27820       16.44958 
1 1 1 -11 -48 23 o 24.518  8.0357  88.120     55.164   66.147     81.516   106.685    74.926   23.113  9.3577  26.393  9.3494  -3.279896      13.22791 
1 1 1 -11 -48 24 o 33.318  8.1352  165.464    65.197   95.848     85.487   262.252    100.800  25.572  9.8155  40.014  10.316  -14.44181      14.23961 
1 1 1 -11 -48 25 o 46.920  6.3227  300.994    70.150   311.934    93.231   286.717    106.502  45.582  8.7476  41.750  10.518  3.832134       13.68037 
1 1 1 -11 -48 26 o 45.306  6.4544  281.884    68.948   312.098    91.453   242.093    104.949  45.835  8.5372  37.849  10.861  7.986500       13.81447 
1 1 1 -11 -48 27 o 21.252  8.0886  57.016     57.747   88.806     74.299   8.5114     91.776   24.844  9.2347  20.362  9.0960  4.481792       12.96213 
1 1 1 -11 -48 28 o 24.966  8.3099  91.303     58.908   43.908     81.092   144.258    85.717   21.647  9.1004  29.938  10.025  -8.290630      13.53946 
1 1 1 -11 -48 29 o 14.094  6.4616  -22.2502   50.045   -37.3329   72.092   -8.2216    69.527   16.222  7.5484  17.410  7.8363  -1.188112      10.88054 
1 1 1 -11 -48 30 o 21.834  8.1094  62.834     57.271   81.564     83.035   45.839     79.095   24.494  9.5984  21.658  9.0381  2.835754       13.18398 
1 1 1 -11 -48 31 o 22.551  8.3197  68.776     60.082   60.049     84.016   77.910     85.954   22.936  9.4186  24.314  9.6901  -1.377987      13.51330 
1 1 1 -11 -48 32 o 24.750  10.398  72.869     105.744  72.869     105.744  0.0000     0.0000   24.750  10.398  ?       ?       0.000000       10.39776 
1 1 1 -11 -48 33 o 18.380  8.6107  -45.8021   96.440   -45.8021   96.440   0.0000     0.0000   18.380  8.6107  ?       ?       0.000000       8.610713 
1 1 1 -11 -48 34 o 36.891  10.554  226.539    99.249   77.268     123.880  494.081    165.848  25.626  11.026  51.430  13.218  -25.80387      17.21300 
1 1 1 -11 -48 35 o 30.049  9.6879  144.281    80.351   166.681    109.929  118.586    117.739  31.080  11.286  27.729  11.239  3.351126       15.92782 
1 1 1 -11 -48 36 o 21.163  8.9751  38.955     79.997   95.318     111.381  -21.0984   114.970  26.141  10.801  20.756  9.6149  5.384733       14.46092 
1 1 1 -11 -48 37 o 25.129  6.1897  88.165     37.493   17.904     90.126   102.869    41.230   20.622  9.1241  27.083  6.3791  -6.461493      11.13298 
1 1 1 -11 -48 38 o 32.292  5.5958  141.117    42.257   183.282    97.493   131.364    46.890   32.755  10.680  30.590  6.5169  2.165333       12.51150 
1 1 1 -11 -48 39 o 33.586  5.6139  152.703    44.135   241.117    102.957  132.798    48.851   37.565  10.751  30.579  6.7633  6.985363       12.70107 
1 1 1 -11 -48 40 f 16.068  6.1139  28.442     32.987   9.7350     89.496   31.383     35.485   20.026  8.9615  16.694  6.3438  3.332222       10.97967 
1 1 1 -11 -48 41 o 30.082  5.9107  124.806    41.604   114.869    98.127   126.984    45.937   26.864  10.460  29.988  6.5007  -3.124821      12.31535 
1 1 1 -11 -48 42 o 32.278  6.3573  146.023    48.019   0.0000     0.0000   146.023    48.019   ?       ?       32.278  6.3573  0.000000       6.357327 
1 1 1 -11 -48 43 o 20.454  6.8400  58.264     39.903   0.0000     0.0000   58.264     39.903   ?       ?       20.454  6.8400  0.000000       6.840032 
1 1 1 -11 -48 44 o 25.740  6.8051  95.957     43.148   0.0000     0.0000   95.957     43.148   ?       ?       25.740  6.8051  0.000000       6.805085 
1 1 1 -11 -48 45 o 12.071  5.6492  -30.2527   41.318   17.694     86.818   -44.2926   46.980   20.000  8.8967  12.261  5.8239  7.738648       10.63335 
1 1 1 -11 -48 46 o 27.779  7.2323  114.075    49.225   89.992     94.197   123.123    57.736   24.693  10.037  28.324  8.0314  -3.631775      12.85479 
1 1 1 -11 -48 47 o 16.938  6.8291  28.022     43.220   62.325     88.422   17.254     49.542   22.645  9.5103  16.607  7.0540  6.038137       11.84081 
1 1 1 -11 -48 48 o 13.954  6.2021  -3.7992    42.105   -33.2554   89.305   4.6199     47.744   17.788  8.3185  15.380  6.7283  2.408060       10.69897 
1 1 1 -11 -48 49 o 12.329  5.9618  -68.2486   54.389   147.238    113.976  -131.7883  61.891   28.525  11.224  11.379  5.6645  17.14618       12.57279 
1 1 1 -11 -48 50 o 18.590  7.8106  29.853     59.680   -140.5886  120.798  84.888     68.642   17.253  8.4615  23.790  8.8696  -6.536846      12.25838 
1 1 1 -11 -48 51 o 23.804  8.7975  85.036     67.239   94.785     129.762  81.457     78.616   25.701  11.170  23.691  9.3222  2.010202       14.54929 
1 1 1 -11 -48 52 o 38.704  5.9927  206.762    54.459   145.932    108.120  227.442    63.040   28.630  11.026  40.022  6.7305  -11.39256      12.91799 
1 1 1 -11 -48 53 o 17.443  7.0431  30.216     46.043   -66.9858   96.531   58.842     52.385   17.247  8.2360  20.824  7.7515  -3.577242      11.31008 
1 1 1 -11 -48 54 o 38.167  6.0289  201.622    53.979   78.115     110.229  240.582    61.910   24.368  10.440  41.476  6.3542  -17.10792      12.22192 
1 1 1 -11 -48 55 o 25.221  9.1277  100.423    71.818   39.978     146.963  119.386    82.317   23.887  10.996  26.831  9.7627  -2.944317      14.70441 
1 1 1 -11 -48 56 o 24.644  8.9789  95.304     69.664   122.300    169.654  89.829     76.402   27.100  12.215  24.171  9.2789  2.929197       15.33990 
1 1 1 -11 -48 57 o 22.874  8.7453  77.929     67.694   -73.5760   163.562  109.244    74.361   21.132  10.248  25.766  9.2936  -4.633760      13.83445 
1 1 1 -11 -48 58 o 19.605  8.2526  40.361     66.828   8.4750     181.851  45.340     71.856   23.429  11.219  20.260  8.5444  3.168776       14.10255 
1 1 1 -11 -47 1  o 36.495  8.7740  211.766    76.737   35.190     109.594  381.601    107.482  21.994  9.8741  48.556  9.4630  -26.56227      13.67646 
1 1 1 -11 -47 2  o 35.113  8.4268  191.781    70.881   183.684    101.674  199.438    98.867   31.627  10.913  33.193  10.751  -1.565895      15.31912 
1 1 1 -11 -47 3  o 58.206  6.6108  475.692    91.710   571.510    142.617  408.134    119.753  58.518  10.427  49.377  10.327  9.140575       14.67546 
1 1 1 -11 -47 4  o 64.438  5.9664  567.582    92.228   634.021    133.960  507.712    127.165  64.134  8.8436  56.234  9.6684  7.900715       13.10291 
1 1 1 -11 -47 5  o 38.685  8.5183  231.255    77.795   195.035    107.139  271.647    113.143  32.401  11.201  38.433  11.349  -6.031887      15.94568 
1 1 1 -11 -47 6  o 58.460  5.7507  464.396    80.517   495.205    123.543  441.646    106.160  55.738  9.4739  53.995  8.3742  1.743446       12.64446 
1 1 1 -11 -47 7  o 24.051  8.4461  87.771     61.032   51.955     92.511   115.373    81.213   22.192  9.5376  26.563  9.6921  -4.371336      13.59795 
1 1 1 -11 -47 8  o 39.989  7.5931  236.012    70.981   233.452    111.373  237.763    92.111   35.277  11.409  37.629  9.9401  -2.351364      15.13192 
1 1 1 -11 -47 9  o 16.949  7.3967  10.390     57.395   -69.8168   90.299   64.758     74.344   16.568  7.9265  22.259  8.9630  -5.691343      11.96518 
1 1 1 -11 -47 10 o 14.463  6.6787  -24.5130   54.825   69.777     86.767   -87.1785   70.735   23.149  9.5465  13.868  6.7284  9.281169       11.67933 
1 1 1 -11 -47 11 o 23.049  8.4173  77.151     61.272   111.749    99.320   55.892     77.852   26.408  10.450  21.842  9.0282  4.565815       13.81008 
1 1 1 -11 -47 12 o 57.289  5.7594  443.774    78.975   506.507    117.896  392.710    106.366  57.764  8.6799  50.376  9.0338  7.388054       12.52798 
1 1 1 -11 -47 13 o 38.040  6.8108  204.755    60.555   246.190    89.505   169.780    82.231   39.215  9.5055  32.125  9.7194  7.089771       13.59493 
1 1 1 -11 -47 14 o 41.670  6.3358  239.856    62.043   300.049    90.866   187.283    84.919   44.418  8.7422  33.831  9.7875  10.58741       13.12326 
1 1 1 -11 -47 15 o 27.040  8.3325  110.636    60.076   162.563    84.467   57.478     85.461   31.495  9.9092  22.638  9.4165  8.857391       13.66978 
1 1 1 -11 -47 16 o 32.661  8.1131  159.166    64.008   42.936     85.669   306.041    96.303   21.777  9.2636  44.604  9.2036  -22.82726      13.05832 
1 1 1 -11 -47 17 o 37.222  9.5443  218.473    86.610   61.286     197.939  255.694    96.320   27.344  12.649  39.954  9.9682  -12.60971      16.10457 
1 1 1 -11 -47 18 o 14.432  6.9021  -68.8387   68.344   -18.7361   169.531  -78.5615   74.682   24.146  11.346  14.866  7.1376  9.280059       13.40398 
1 1 1 -11 -47 19 o 54.088  8.0746  421.909    102.726  518.768    213.711  392.805    117.147  47.819  15.824  50.144  9.9791  -2.325596      18.70742 
1 1 1 -11 -47 20 o 51.278  8.3033  381.872    99.779   464.513    207.931  357.150    113.728  45.438  15.610  47.657  10.146  -2.219036      18.61781 
1 1 1 -11 -47 21 o 27.728  9.7038  117.078    80.529   360.745    183.342  58.832     89.639   41.379  14.629  23.346  9.6718  18.03322       17.53673 
1 1 1 -11 -47 22 o 33.529  9.4849  174.318    80.623   -179.4749  180.730  262.214    90.083   21.340  10.442  41.692  9.1555  -20.35157      13.88702 
1 1 1 -11 -47 23 o 46.392  8.6086  315.049    93.335   288.264    194.359  323.077    106.408  37.116  14.641  45.761  9.8732  -8.644901      17.65879 
1 1 1 -11 -47 24 o 30.206  9.6585  140.920    79.989   213.014    168.381  119.909    90.900   33.901  13.546  28.133  10.256  5.767218       16.99015 
1 1 1 -11 -47 25 o 44.542  7.9545  283.013    82.817   228.315    180.986  297.499    93.140   34.614  13.968  44.902  8.8634  -10.28793      16.54297 
1 1 1 -11 -47 26 o 20.204  7.7079  47.586     52.516   20.600     73.913   75.098     74.631   19.823  8.5227  24.009  9.1816  -4.185432      12.52749 
1 1 1 -11 -47 27 o 33.303  7.5784  157.979    59.860   150.748    82.172   166.157    87.379   31.210  9.7662  32.533  10.053  -1.323503      14.01587 
1 1 1 -11 -47 28 o 26.961  8.1760  105.444    58.139   20.870     79.719   201.539    84.975   20.380  8.8065  36.270  9.5311  -15.88967      12.97677 
1 1 1 -11 -47 29 o 31.671  7.7411  143.956    58.986   96.471     85.606   186.879    81.390   26.205  9.8784  35.010  9.3883  -8.804632      13.62804 
1 1 1 -11 -47 30 f 17.774  8.1141  -22.7090   77.815   -22.7090   77.815   0.0000     0.0000   17.774  8.1141  ?       ?       0.000000       8.114142 
1 1 1 -11 -47 31 f 33.222  10.075  173.450    88.282   173.450    88.282   0.0000     0.0000   33.222  10.075  ?       ?       0.000000       10.07502 
1 1 1 -11 -47 32 o 30.664  9.5274  144.083    78.359   111.890    91.919   229.695    149.895  27.568  10.267  35.426  13.127  -7.858425      16.66497 
1 1 1 -11 -47 33 o 47.601  5.6675  299.657    64.172   313.317    100.988  290.406    83.109   45.598  9.4385  45.231  7.8577  0.3668442      12.28125 
1 1 1 -11 -47 34 o 33.138  9.9321  172.299    86.166   205.721    119.267  135.809    124.623  34.632  11.824  29.605  11.709  5.026827       16.64076 
1 1 1 -11 -47 35 o 40.222  8.9480  241.452    85.074   116.899    116.307  384.777    124.764  28.233  11.266  49.131  10.763  -20.89759      15.58095 
1 1 1 -11 -47 36 o 31.649  6.7552  139.430    50.296   224.034    119.739  121.304    55.423   35.935  11.842  28.955  7.7398  6.979292       14.14700 
1 1 1 -11 -47 37 o 23.215  6.8954  75.378     41.670   -68.7438   103.898  103.005    45.489   18.424  8.7247  27.027  6.9099  -8.603361      11.12955 
1 1 1 -11 -47 38 o 49.156  4.6894  312.299    55.253   368.995    138.754  301.615    60.235   45.944  12.230  47.926  5.2667  -1.981155      13.31599 
1 1 1 -11 -47 39 o 46.213  4.5391  275.469    50.240   277.250    105.053  274.940    57.206   41.450  10.448  45.720  5.2520  -4.270790      11.69421 
1 1 1 -11 -47 40 o 25.275  6.3615  89.061     38.985   107.581    99.480   85.701     42.375   26.952  10.521  24.617  6.8458  2.334915       12.55243 
1 1 1 -11 -47 41 o 38.760  5.9581  203.370    54.241   0.0000     0.0000   203.370    54.241   ?       ?       38.760  5.9581  0.000000       5.958105 
1 1 1 -11 -47 42 o 29.887  6.4686  124.735    45.548   0.0000     0.0000   124.735    45.548   ?       ?       29.887  6.4686  0.000000       6.468586 
1 1 1 -11 -47 43 o 17.324  6.5752  34.056     38.091   0.0000     0.0000   34.056     38.091   ?       ?       17.324  6.5752  0.000000       6.575189 
1 1 1 -11 -47 44 o 36.457  5.5705  178.964    47.712   294.469    105.259  149.094    53.527   42.353  10.334  32.295  7.0304  10.05861       12.49871 
1 1 1 -11 -47 45 o 38.294  4.8379  192.903    43.949   237.907    81.100   174.192    52.293   39.474  8.7016  35.440  6.3126  4.034363       10.75023 
1 1 1 -11 -47 46 o 49.352  5.0517  321.468    59.641   286.256    112.789  335.135    70.269   40.441  11.139  49.651  5.9513  -9.210117      12.62945 
1 1 1 -11 -47 47 o 27.552  7.1492  110.728    48.206   94.918     94.636   116.267    56.018   25.334  10.144  27.769  7.9239  -2.434708      12.87181 
1 1 1 -11 -47 48 o 14.537  6.3497  2.2181     42.379   44.413     87.878   -10.5688   48.376   21.712  9.3125  14.457  6.5192  7.254071       11.36760 
1 1 1 -11 -47 49 o 14.501  6.3199  2.9605     41.771   27.498     88.480   -4.0766    47.384   20.748  9.1157  14.757  6.5680  5.990917       11.23541 
1 1 1 -11 -47 50 o 54.882  7.0762  428.355    92.035   473.322    164.890  408.006    110.921  48.302  13.530  50.994  9.3075  -2.692150      16.42195 
1 1 1 -11 -47 51 o 27.791  9.1252  123.342    71.124   288.402    134.986  59.907     83.682   38.019  12.576  22.452  9.3268  15.56710       15.65675 
1 1 1 -11 -47 52 o 43.583  8.3152  286.129    84.725   297.991    152.761  280.858    101.821  37.276  13.334  40.967  10.264  -3.691109      16.82728 
1 1 1 -11 -47 53 o 29.749  7.2157  129.272    51.551   187.779    106.106  111.194    58.980   32.249  11.147  26.961  8.2476  5.288103       13.86640 
1 1 1 -11 -47 54 o 55.047  5.0157  399.625    66.258   521.305    126.884  354.005    77.692   57.755  9.3757  50.474  6.4944  7.281551       11.40529 
1 1 1 -11 -47 55 o 62.607  4.8155  513.381    72.591   562.500    135.168  493.472    86.053   59.525  9.6921  60.216  5.9683  -0.6908607     11.38229 
1 1 1 -11 -47 56 o 21.395  8.6150  56.089     68.684   148.770    177.691  39.810     74.472   28.805  12.775  20.521  8.6788  8.284210       15.44403 
1 1 1 -11 -47 57 o 24.563  9.2947  92.059     75.972   294.082    185.038  51.099     83.319   34.608  14.068  21.712  9.1812  12.89570       16.79848 
1 1 1 -11 -47 58 o 18.185  7.9800  15.127     67.619   348.832    184.242  -36.8194   72.692   36.930  14.346  15.953  7.4743  20.97738       16.17597 
1 1 1 -11 -47 59 o 35.603  9.3310  210.618    81.586   455.123    204.791  164.491    88.950   39.965  15.227  30.313  10.212  9.652025       18.33453 
1 1 1 -11 -46 1  o 29.100  8.9746  134.792    69.675   194.920    94.743   63.970     102.823  33.534  10.486  23.555  10.087  9.978838       14.55005 
1 1 1 -11 -46 2  f 60.127  6.0536  493.372    87.116   567.537    129.226  431.590    117.946  60.696  9.0513  52.050  9.6957  8.646362       13.26399 
1 1 1 -11 -46 3  o 54.682  6.5387  416.172    85.036   474.055    123.245  363.578    117.480  54.623  9.6519  46.386  10.661  8.236458       14.38134 
1 1 1 -11 -46 4  o 32.941  8.7548  170.212    71.173   110.203    103.549  223.950    97.989   26.407  10.597  35.982  10.544  -9.574785      14.94906 
1 1 1 -11 -46 5  o 36.708  7.9278  201.327    68.546   134.814    107.010  247.607    89.262   28.094  10.927  39.225  9.4832  -11.13106      14.46860 
1 1 1 -11 -46 6  o 12.647  6.0712  -60.2548   53.984   -131.1916  85.978   -14.0879   69.362   14.376  7.0683  16.835  7.6760  -2.459077      10.43465 
1 1 1 -11 -46 7  o 33.107  8.1137  165.959    64.670   170.451    100.710  162.807    84.362   31.066  10.853  31.211  9.9126  -0.1448059     14.69846 
1 1 1 -11 -46 8  o 22.385  8.3685  69.444     61.186   143.451    92.620   12.139     81.501   29.152  10.388  19.452  8.6380  9.700489       13.50984 
1 1 1 -11 -46 9  o 20.011  7.9830  45.382     58.389   16.537     91.232   65.394     75.991   20.491  9.1173  22.658  9.0835  -2.167885      12.86998 
1 1 1 -11 -46 10 o 29.972  8.2197  135.885    61.571   140.869    93.105   132.012    82.081   29.142  10.411  28.605  9.8089  0.5371265      14.30425 
1 1 1 -11 -46 11 f 19.889  7.8889  44.132     56.722   12.604     86.749   67.679     74.968   20.089  8.9168  22.956  9.0808  -2.866568      12.72680 
1 1 1 -11 -46 12 o 40.302  6.8913  227.230    64.968   279.627    93.690   178.699    90.168   42.565  9.3289  32.996  10.215  9.569443       13.83377 
1 1 1 -11 -46 13 o 25.950  7.8744  98.421     53.916   178.051    79.653   31.083     73.247   33.751  9.3857  20.254  8.5889  13.49688       12.72247 
1 1 1 -11 -46 14 o 12.376  5.8506  -43.0544   46.343   -76.4189   68.908   -15.5000   62.621   14.260  6.8492  16.259  7.3664  -1.998785      10.05856 
1 1 1 -11 -46 15 o 21.820  7.7072  63.813     50.883   89.985     76.505   43.054     68.137   25.241  9.3731  20.859  8.5141  4.381962       12.66273 
1 1 1 -11 -46 16 o 27.056  7.7893  105.776    53.903   78.092     81.052   127.730    72.178   24.452  9.5104  29.045  9.1630  -4.592979      13.20635 
1 1 1 -11 -46 17 o 72.902  4.7379  682.660    83.354   745.091    123.043  629.710    113.317  73.904  6.9429  67.869  6.9806  6.035439       9.845504 
1 1 1 -11 -46 18 o 53.515  5.3011  373.646    67.929   387.858    99.776   361.367    92.742   52.216  8.1406  50.681  7.7911  1.535332       11.26811 
1 1 1 -11 -46 19 o 23.849  7.7569  79.182     51.439   50.447     74.668   105.137    70.964   22.101  8.9533  26.887  9.1210  -4.785240      12.78099 
1 1 1 -11 -46 20 o 55.604  5.1715  400.843    68.973   439.823    101.087  366.888    94.348   56.298  7.5939  51.149  7.8530  5.148708       10.92411 
1 1 1 -11 -46 21 o 37.528  7.1691  194.971    62.901   254.374    84.550   121.348    94.128   41.934  8.5984  28.646  10.437  13.28742       13.52276 
1 1 1 -11 -46 22 o 33.619  9.5072  170.555    81.016   59.084     178.136  199.625    90.969   28.108  12.606  36.019  10.035  -7.911331      16.11264 
1 1 1 -11 -46 23 o 45.339  8.6487  295.547    91.673   392.855    188.679  265.477    104.886  44.981  14.867  41.397  10.443  3.584354       18.16831 
1 1 1 -11 -46 24 o 33.334  9.4730  166.668    80.230   151.348    164.490  171.451    91.904   31.759  13.125  33.324  10.312  -1.564589      16.69157 
1 1 1 -11 -46 25 o 19.286  8.2930  14.757     70.007   157.601    151.972  -23.7209   78.875   31.981  12.837  18.026  8.2058  13.95526       15.23551 
1 1 1 -11 -46 26 o 41.228  10.286  260.215    102.565  0.0000     0.0000   260.215    102.565  ?       ?       41.228  10.286  0.000000       10.28638 
1 1 1 -11 -46 27 o 37.196  10.462  214.264    98.385   0.0000     0.0000   214.264    98.385   ?       ?       37.196  10.462  0.000000       10.46223 
1 1 1 -11 -46 28 o 15.630  7.2683  -42.3898   66.666   0.0000     0.0000   -42.3898   66.666   ?       ?       15.630  7.2683  0.000000       7.268277 
1 1 1 -11 -46 29 o 21.462  9.1429  28.143     83.673   28.143     83.673   0.0000     0.0000   21.462  9.1429  ?       ?       0.000000       9.142942 
1 1 1 -11 -46 30 o 25.499  9.7884  83.141     85.021   83.141     85.021   0.0000     0.0000   25.499  9.7884  ?       ?       0.000000       9.788430 
1 1 1 -11 -46 31 o 31.736  9.4131  149.896    77.696   154.407    91.047   137.806    149.041  31.811  10.318  30.925  12.604  0.8863144      16.28900 
1 1 1 -11 -46 32 f 19.379  7.4512  40.328     49.318   19.571     82.311   51.953     61.598   20.787  8.9655  21.498  8.3104  -0.7104607     12.22471 
1 1 1 -11 -46 33 f 15.986  6.7008  12.533     43.760   -30.6739   82.543   29.424     51.609   18.093  8.2963  18.509  7.4625  -0.4153633     11.15873 
1 1 1 -11 -46 34 o 24.935  7.4866  86.675     48.926   67.392     82.798   97.021     60.647   24.084  9.5382  26.167  8.4146  -2.083038      12.71936 
1 1 1 -11 -46 35 o 36.217  6.8359  179.507    57.870   210.367    98.660   163.320    71.453   36.649  10.534  33.398  8.7225  3.251602       13.67670 
1 1 1 -11 -46 36 o 31.556  6.9656  137.915    51.907   260.393    112.730  104.961    58.475   40.242  11.157  27.073  8.1973  13.16882       13.84457 
1 1 1 -11 -46 37 o 54.539  5.5147  388.689    71.976   444.612    142.404  369.501    83.415   52.706  11.462  52.281  6.7320  0.4255333      13.29250 
1 1 1 -11 -46 38 o 27.208  7.2990  104.348    49.184   204.326    112.492  80.719     54.688   35.189  11.472  24.103  8.0059  11.08669       13.98962 
1 1 1 -11 -46 39 o 52.640  5.6359  364.354    70.866   417.176    145.332  347.877    81.170   49.949  12.116  50.581  6.7847  -0.6319084     13.88597 
1 1 1 -11 -46 40 o 65.674  4.8768  555.647    77.159   0.0000     0.0000   555.647    77.159   ?       ?       65.674  4.8768  0.000000       4.876844 
1 1 1 -11 -46 41 o 19.951  6.7858  52.188     39.280   0.0000     0.0000   52.188     39.280   ?       ?       19.951  6.7858  0.000000       6.785832 
1 1 1 -11 -46 42 o 19.423  6.9027  47.826     40.873   0.0000     0.0000   47.826     40.873   ?       ?       19.423  6.9027  0.000000       6.902652 
1 1 1 -11 -46 43 o 14.280  5.9621  10.493     34.443   65.326     91.335   1.4019     37.189   23.896  9.8174  13.841  5.9978  10.05525       11.50456 
1 1 1 -11 -46 44 o 13.095  5.5663  5.0001     30.890   48.924     62.313   -9.3105    35.568   20.880  8.2729  12.629  5.6505  8.251368       10.01847 
1 1 1 -11 -46 45 o 39.156  4.8635  200.425    45.212   193.152    81.849   203.619    54.237   35.178  9.4068  38.812  5.9489  -3.634438      11.13005 
1 1 1 -11 -46 46 o 16.887  6.1966  33.768     33.263   -67.7297   67.414   66.431     38.243   14.338  6.8568  21.821  6.6341  -7.483062      9.540818 
1 1 1 -11 -46 47 o 16.513  6.7713  21.598     43.347   7.7073     91.206   25.651     49.267   20.207  9.0442  17.545  7.2096  2.661633       11.56617 
1 1 1 -11 -46 48 o 19.057  7.0677  45.199     43.472   16.661     89.467   54.019     49.739   20.477  9.0737  20.428  7.5632  0.4840469E-01  11.81248 
1 1 1 -11 -46 49 o 20.610  7.1933  57.748     44.237   -108.0910  91.019   109.037    50.618   15.646  7.6007  27.271  7.4421  -11.62458      10.63747 
1 1 1 -11 -46 50 o 27.195  7.1315  107.292    47.638   70.625     95.839   119.324    54.901   23.896  9.9584  28.319  7.7598  -4.423437      12.62479 
1 1 1 -11 -46 51 f 27.526  9.0852  118.776    70.467   216.467    132.408  80.173     83.234   33.453  12.349  24.085  9.5555  9.367832       15.61432 
1 1 1 -11 -46 52 o 30.503  9.0881  147.252    72.302   87.031     136.808  170.590    85.168   26.099  11.404  32.122  9.9249  -6.023371      15.11814 
1 1 1 -11 -46 53 o 23.575  8.7895  79.219     67.407   38.948     130.040  94.015     78.823   23.797  10.713  25.118  9.4765  -1.320799      14.30319 
1 1 1 -11 -46 54 o 52.241  5.0752  359.496    63.520   375.676    124.958  353.858    73.761   46.920  11.142  50.979  6.0833  -4.058506      12.69437 
1 1 1 -11 -46 55 o 42.480  6.0883  246.581    60.961   294.627    121.566  230.441    70.461   40.457  11.712  39.891  7.5562  0.5653076      13.93812 
1 1 1 -11 -46 56 o 34.824  6.7328  171.080    54.832   137.754    115.969  180.676    62.228   28.601  11.301  35.225  7.5100  -6.624697      13.56841 
1 1 1 -11 -46 57 o 27.490  9.3204  119.856    74.101   235.564    187.917  98.551     80.635   32.729  13.811  25.464  9.5897  7.265062       16.81404 
1 1 1 -11 -46 58 o 12.909  6.2502  -76.5490   60.239   -86.3538   176.883  -75.2626   64.069   22.149  10.720  13.477  6.5050  8.672374       12.53961 
1 1 1 -11 -46 59 o 44.967  15.913  539.286    217.001  539.286    217.001  0.0000     0.0000   44.967  15.913  ?       ?       0.000000       15.91287 
1 1 1 -11 -46 60 o 30.246  9.8087  156.986    82.275   145.030    203.645  159.318    89.943   28.093  12.936  30.016  10.268  -1.923204      16.51623 
1 1 1 -11 -45 1  o 31.591  9.1680  158.399    74.406   156.258    110.571  160.171    100.589  29.901  11.236  30.459  10.828  -0.5579681     15.60417 
1 1 1 -11 -45 2  o 56.817  6.4811  445.707    87.749   429.099    136.051  457.538    114.825  49.669  11.513  54.790  8.9460  -5.120209      14.58042 
1 1 1 -11 -45 3  o 24.404  8.6157  88.319     63.577   100.550    95.813   78.698     84.982   25.871  10.256  24.016  9.6137  1.854580       14.05722 
1 1 1 -11 -45 4  o 24.072  8.3695  85.213     59.860   172.016    95.031   28.119     77.072   31.709  10.555  20.110  8.6745  11.59830       13.66185 
1 1 1 -11 -45 5  o 23.262  8.1988  77.785     57.550   82.938     87.869   73.914     76.157   24.477  9.7836  23.397  9.1852  1.080175       13.41967 
1 1 1 -11 -45 6  o 33.084  8.0584  163.309    64.090   12.590     100.002  268.367    83.491   21.031  9.4376  42.382  8.4157  -21.35098      12.64486 
1 1 1 -11 -45 7  o 22.220  8.3494  65.868     61.058   124.945    96.700   26.697     78.740   27.965  10.507  20.283  8.7584  7.682333       13.67906 
1 1 1 -11 -45 8  o 47.961  6.6566  317.332    75.376   260.510    118.779  355.642    97.531   38.363  11.698  49.070  8.4993  -10.70669      14.45969 
1 1 1 -11 -45 9  o 21.775  8.2050  60.897     59.045   11.059     92.003   95.801     76.993   20.603  9.1621  25.636  9.4244  -5.033146      13.14394 
1 1 1 -11 -45 10 o 20.729  7.9178  51.786     55.458   -3.8121    85.064   92.888     73.139   19.321  8.6848  25.407  9.2088  -6.085640      12.65809 
1 1 1 -11 -45 11 o 65.687  5.0870  560.381    80.446   559.694    115.961  561.018    111.695  63.048  7.7428  63.507  7.3865  -0.4583397     10.70102 
1 1 1 -11 -45 12 o 43.271  6.0413  250.779    61.699   246.791    90.711   254.214    84.167   40.326  9.4377  41.668  8.6096  -1.341827      12.77485 
1 1 1 -11 -45 13 o 30.519  7.4722  132.240    54.888   117.905    82.459   143.645    73.550   28.115  9.8205  30.892  9.1576  -2.776157      13.42770 
1 1 1 -11 -45 14 o 19.553  7.4369  43.243     48.793   -35.1402   74.382   102.449    64.646   16.853  7.7812  26.649  8.6973  -9.795076      11.67008 
1 1 1 -11 -45 15 o 72.341  4.7816  669.674    83.457   726.146    121.887  619.831    114.510  73.313  6.9343  67.545  7.0929  5.768509       9.919351 
1 1 1 -11 -45 16 o 70.018  4.8155  627.098    81.313   653.478    118.966  603.970    111.396  69.384  7.1698  66.882  6.9665  2.502457       9.996943 
1 1 1 -11 -45 17 f 23.285  7.8451  73.103     52.495   71.052     74.041   75.175     74.441   23.975  9.1508  24.354  9.2042  -0.3794060     12.97902 
1 1 1 -11 -45 18 o 26.293  7.6150  96.700     51.380   159.315    73.864   38.003     71.516   32.981  8.9857  21.151  8.6881  11.83082       12.49903 
1 1 1 -11 -45 19 o 68.976  4.6870  605.048    77.978   566.885    113.999  638.605    106.898  64.610  7.4055  69.518  6.4095  -4.908348      9.794030 
1 1 1 -11 -45 20 o 19.562  7.4971  40.860     49.825   3.8579     75.077   69.983     66.607   19.239  8.4262  23.633  8.7517  -4.394098      12.14878 
1 1 1 -11 -45 21 o 19.544  7.5576  39.509     50.957   157.793    73.439   -70.3096   70.762   32.990  8.9481  15.028  7.1410  17.96195       11.44821 
1 1 1 -11 -45 22 o 16.615  7.0549  9.6442     49.522   -46.6412   70.617   64.109     69.465   16.045  7.4675  23.305  8.8711  -7.260098      11.59573 
1 1 1 -11 -45 23 o 38.036  6.8131  195.032    60.569   197.750    85.920   192.347    85.398   36.679  9.5576  36.154  9.5809  0.5255280      13.53298 
1 1 1 -11 -45 24 o 27.303  8.1900  104.265    58.571   131.508    80.219   73.160     85.718   30.121  9.6767  25.036  9.7685  5.085354       13.74997 
1 1 1 -11 -45 25 o 15.887  7.2392  -26.2041   61.572   83.574     142.857  -51.2490   68.235   28.531  12.041  15.541  7.2686  12.99084       14.06476 
1 1 1 -11 -45 26 o 45.806  8.5030  293.913    91.026   362.743    179.437  270.062    105.626  45.217  14.467  42.516  10.339  2.700901       17.78145 
1 1 1 -11 -45 27 o 25.733  9.3117  86.856     74.739   89.477     152.258  86.024     85.786   29.257  12.394  26.110  9.8777  3.146791       15.84830 
1 1 1 -11 -45 28 o 24.321  11.025  -10.1797   140.505  -10.1797   140.505  0.0000     0.0000   24.321  11.025  ?       ?       0.000000       11.02520 
1 1 1 -11 -45 29 o 28.904  12.247  85.047     148.728  85.047     148.728  0.0000     0.0000   28.904  12.247  ?       ?       0.000000       12.24681 
1 1 1 -11 -45 30 o 39.421  11.100  239.389    110.680  165.764    162.432  303.198    151.218  33.435  13.322  42.532  13.239  -9.097038      18.78146 
1 1 1 -11 -45 31 o 16.194  6.8914  7.7041     47.441   14.239     80.534   4.2313     58.708   20.539  8.8632  17.441  7.5469  3.097811       11.64097 
1 1 1 -11 -45 32 o 26.069  7.6400  93.811     51.445   178.510    87.471   49.021     63.609   34.701  9.9017  21.586  8.4170  13.11486       12.99570 
1 1 1 -11 -45 33 o 43.251  5.7237  244.056    58.591   273.526    97.815   227.565    73.170   43.344  9.5576  40.644  7.7015  2.700485       12.27440 
1 1 1 -11 -45 34 o 20.427  7.4982  49.141     48.711   35.221     89.071   55.081     58.183   22.563  9.5143  21.736  8.1537  0.8276482      12.53011 
1 1 1 -11 -45 35 o 15.688  5.8080  26.322     29.331   -115.5037  81.470   47.442     31.439   14.843  7.2061  19.122  6.0490  -4.278691      9.408367 
1 1 1 -11 -45 36 o 18.605  6.1618  43.950     32.405   -39.3951   89.986   56.368     34.735   18.642  8.5898  20.630  6.3324  -1.987993      10.67166 
1 1 1 -11 -45 37 o 65.689  4.0692  542.487    64.539   587.963    122.011  524.820    76.050   65.459  7.8377  64.088  4.9283  1.370636       9.258368 
1 1 1 -11 -45 38 o 13.724  6.1019  -9.0724    40.786   74.328     102.453  -24.7791   44.461   25.779  10.472  13.259  6.0829  12.52003       12.11037 
1 1 1 -11 -45 39 o 11.730  5.4224  -24.9352   36.290   0.0000     0.0000   -24.9352   36.290   ?       ?       11.730  5.4224  0.000000       5.422436 
1 1 1 -11 -45 40 o 61.196  6.4173  497.846    93.870   0.0000     0.0000   497.846    93.870   ?       ?       61.196  6.4173  0.000000       6.417281 
1 1 1 -11 -45 41 o 60.152  4.9252  464.699    71.254   0.0000     0.0000   464.699    71.254   ?       ?       60.152  4.9252  0.000000       4.925173 
1 1 1 -11 -45 42 o 18.308  6.3203  41.962     34.107   -35.8108   80.431   59.013     37.661   17.554  8.1002  20.971  6.6191  -3.416082      10.46065 
1 1 1 -11 -45 43 o 28.399  5.8355  108.642    38.866   183.614    74.824   80.940     45.484   35.282  8.7765  24.102  7.2143  11.17978       11.36102 
1 1 1 -11 -45 44 f 37.158  4.8905  179.484    43.022   210.110    78.177   166.180    51.526   37.782  8.7066  34.998  6.2994  2.784019       10.74653 
1 1 1 -11 -45 45 o 56.344  4.1019  402.875    55.693   348.691    97.442   429.164    67.872   49.081  8.4894  57.631  4.9001  -8.549984      9.802073 
1 1 1 -11 -45 46 o 21.626  6.4558  64.243     36.458   112.187    71.320   47.283     42.419   27.406  9.1445  19.443  7.0183  7.962439       11.52732 
1 1 1 -11 -45 47 o 26.558  6.0805  96.951     38.339   120.037    74.446   88.619     44.726   28.076  9.3416  25.007  7.0612  3.069082       11.71005 
1 1 1 -11 -45 48 o 44.221  5.4025  258.750    56.764   225.192    104.619  272.750    67.575   36.612  10.937  44.693  6.4154  -8.081039      12.68012 
1 1 1 -11 -45 49 o 20.567  7.2686  56.126     45.261   47.441     91.962   58.902     51.995   22.574  9.6001  21.188  7.7514  1.385391       12.33884 
1 1 1 -11 -45 50 o 29.733  6.9835  125.959    49.525   147.094    98.734   118.853    57.247   29.813  10.714  28.299  7.9880  1.514555       13.36410 
1 1 1 -11 -45 51 o 17.911  6.9951  34.452     43.987   31.053     92.554   35.444     49.994   21.550  9.3993  18.546  7.3905  3.004421       11.95687 
1 1 1 -11 -45 52 o 17.428  7.5802  10.022     59.839   0.0023     120.116  13.329     69.012   21.896  10.028  18.586  8.1111  3.310301       12.89787 
1 1 1 -11 -45 53 o 17.728  7.6692  13.159     60.600   -10.8664   119.801  21.420     70.250   21.451  9.8937  19.224  8.2871  2.226189       12.90586 
1 1 1 -11 -45 54 o 48.825  7.7743  343.808    89.014   359.984    159.447  336.484    107.289  42.136  13.654  46.088  9.8902  -3.951794      16.85942 
1 1 1 -11 -45 55 o 33.993  6.7799  162.452    53.961   86.112     112.794  185.109    61.448   25.671  10.759  35.974  7.2894  -10.30300      12.99611 
1 1 1 -11 -45 56 o 20.238  7.5887  51.445     50.390   58.689     107.610  49.410     57.028   23.949  10.290  20.438  7.9696  3.510563       13.01495 
1 1 1 -11 -45 57 o 13.580  6.0624  -7.7669    40.696   -251.7436  102.137  38.277     44.371   13.667  6.8709  18.358  7.0653  -4.691427      9.855370 
1 1 1 -11 -45 58 o 31.859  9.5891  163.324    80.193   571.040    200.837  85.989     87.469   51.321  15.111  24.770  9.8056  26.55084       18.01356 
1 1 1 -11 -45 59 o 23.826  11.390  -39.0678   185.692  -39.0678   185.692  0.0000     0.0000   23.826  11.390  ?       ?       0.000000       11.39026 
1 1 1 -11 -45 60 o 18.999  8.1545  24.844     67.465   -142.0502  173.739  54.478     73.210   20.830  10.202  21.546  8.8135  -0.7155838     13.48162 
1 1 1 -11 -44 1  o 66.238  5.7106  586.156    90.885   520.982    131.930  645.021    125.382  57.750  9.7632  66.871  7.8785  -9.121365      12.54560 
1 1 1 -11 -44 2  o 19.088  7.7502  35.822     56.088   23.845     89.379   43.601     72.037   20.906  9.1742  20.927  8.6700  -0.2070236E-01 12.62279 
1 1 1 -11 -44 3  o 38.766  7.0571  212.272    63.936   173.801    98.436   240.345    84.087   32.037  10.743  39.656  8.9512  -7.619228      13.98339 
1 1 1 -11 -44 4  o 55.053  5.8158  405.761    76.512   444.522    118.182  377.793    100.390  53.963  9.3656  50.621  8.4727  3.341885       12.62942 
1 1 1 -11 -44 5  f 49.438  6.1809  330.791    72.524   418.899    111.878  266.931    95.247   52.844  9.0509  41.349  9.6665  11.49479       13.24234 
1 1 1 -11 -44 6  o 41.628  6.8298  239.867    66.592   229.692    103.410  247.076    87.043   37.252  10.807  40.397  9.0988  -3.144787      14.12749 
1 1 1 -11 -44 7  o 36.445  7.5993  189.305    65.024   149.945    99.377   218.771    85.985   30.548  10.773  37.790  9.4126  -7.242586      14.30579 
1 1 1 -11 -44 8  o 17.346  7.3678  14.601     54.046   38.359     82.420   -3.3212    71.585   21.705  9.1522  18.122  8.0689  3.582863       12.20120 
1 1 1 -11 -44 9  o 61.183  5.2713  486.617    77.491   482.142    110.726  490.913    108.488  58.485  8.0133  59.303  7.7226  -0.8184395     11.12887 
1 1 1 -11 -44 10 o 52.497  5.4882  360.142    68.874   398.237    98.599   323.843    96.249   53.360  7.8500  47.347  8.6986  6.013691       11.71694 
1 1 1 -11 -44 11 o 47.380  5.8482  295.982    65.806   308.157    95.799   285.105    90.550   46.122  8.8826  44.463  8.7047  1.658222       12.43678 
1 1 1 -11 -44 12 o 32.692  7.1160  147.797    54.844   125.798    82.317   165.357    73.545   29.208  9.8239  33.602  8.8848  -4.394178      13.24572 
1 1 1 -11 -44 13 o 68.787  4.8529  604.089    80.478   593.250    116.698  613.918    111.133  66.061  7.4080  67.720  6.8579  -1.659172      10.09496 
1 1 1 -11 -44 14 o 18.808  7.2970  35.665     47.625   83.259     68.858   -7.9812    65.940   25.020  8.9521  17.465  7.7621  7.555185       11.84859 
1 1 1 -11 -44 15 o 16.530  6.8440  15.847     44.849   -3.3081    64.585   33.686     62.326   17.623  7.7641  20.088  8.1647  -2.465004      11.26691 
1 1 1 -11 -44 16 o 19.505  7.4928  39.732     49.841   -19.2696   74.939   86.531     66.742   17.978  8.1097  25.395  8.8371  -7.416824      11.99426 
1 1 1 -11 -44 17 o 52.768  5.2329  357.397    66.117   354.119    97.241   360.215    90.166   50.630  8.1956  51.627  7.4103  -0.9972763     11.04902 
1 1 1 -11 -44 18 o 91.770  4.3891  1056.40    97.731   1066.96    143.226  1047.19    133.692  90.206  6.5893  89.770  6.1754  0.4366455      9.030693 
1 1 1 -11 -44 19 o 36.688  6.6227  179.818    56.786   114.611    83.950   234.822    77.102   28.675  9.9149  41.266  7.9891  -12.59019      12.73310 
1 1 1 -11 -44 20 o 36.451  6.5720  177.120    55.988   141.240    81.701   208.888    76.876   31.303  9.7289  38.641  8.4361  -7.338001      12.87709 
1 1 1 -11 -44 21 f 57.611  5.0503  422.559    69.885   402.203    102.349  440.339    95.655   54.357  7.9992  57.631  6.9830  -3.273930      10.61837 
1 1 1 -11 -44 22 o 46.645  5.6906  281.401    63.070   232.271    89.496   329.876    88.897   40.309  9.3342  49.396  7.6654  -9.087406      12.07833 
1 1 1 -11 -44 23 f 50.374  5.4608  325.972    65.678   305.482    94.093   345.441    91.717   46.941  8.5774  50.552  7.7224  -3.611118      11.54152 
1 1 1 -11 -44 24 o 30.099  7.5452  124.307    55.000   157.090    77.944   91.797     77.619   33.145  9.3085  26.525  9.5031  6.619913       13.30248 
1 1 1 -11 -44 25 o 41.574  6.2882  226.922    61.450   260.019    88.296   195.833    85.576   43.162  8.7308  36.916  9.4986  6.245865       12.90155 
1 1 1 -11 -44 26 o 20.659  7.8453  45.648     54.247   46.218     73.248   44.957     80.732   22.321  8.9288  22.837  9.2885  -0.5160770     12.88407 
1 1 1 -11 -44 27 o 29.941  12.434  95.871     148.647  95.871     148.647  0.0000     0.0000   29.941  12.434  ?       ?       0.000000       12.43361 
1 1 1 -11 -44 28 o 34.078  13.129  167.927    153.345  167.927    153.345  0.0000     0.0000   34.078  13.129  ?       ?       0.000000       13.12926 
1 1 1 -11 -44 29 o 19.795  8.3961  16.688     70.024   94.145     139.651  -9.3283    80.934   29.458  12.125  19.384  8.6079  10.07384       14.87005 
1 1 1 -11 -44 30 o 28.317  9.2193  110.931    72.656   124.414    146.974  106.570    83.583   31.395  12.616  28.095  9.8830  3.300665       16.02627 
1 1 1 -11 -44 31 o 22.805  7.9822  65.354     54.491   120.953    142.669  55.858     58.960   31.039  12.445  22.064  8.2215  8.974037       14.91556 
1 1 1 -11 -44 32 o 44.081  6.1263  253.829    63.755   354.931    159.338  234.557    69.567   46.685  13.378  41.851  7.1046  4.833168       15.14764 
1 1 1 -11 -44 33 o 49.106  5.1210  307.887    60.119   307.537    100.756  308.081    74.917   46.656  9.2271  48.384  6.5498  -1.728138      11.31545 
1 1 1 -11 -44 34 o 54.164  4.1749  368.126    54.445   435.864    109.671  345.973    62.719   56.463  8.2484  52.118  5.0218  4.345181       9.656864 
1 1 1 -11 -44 35 o 33.665  5.5001  147.577    43.376   257.781    91.608   115.729    49.247   42.618  9.1335  29.166  7.0392  13.45159       11.53129 
1 1 1 -11 -44 36 o 40.009  4.7988  204.303    45.657   182.370    95.107   210.871    52.047   35.042  10.419  40.376  5.4520  -5.333935      11.75956 
1 1 1 -11 -44 37 o 97.162  3.8773  1175.15    91.409   1342.00    153.900  1084.21    113.621  101.612 6.2728  92.362  5.0896  9.249680       8.077844 
1 1 1 -11 -44 38 o 47.094  5.2366  285.039    58.825   0.0000     0.0000   285.039    58.825   ?       ?       47.094  5.2366  0.000000       5.236600 
1 1 1 -11 -44 39 f 25.510  7.6633  89.382     51.253   0.0000     0.0000   89.382     51.253   ?       ?       25.510  7.6633  0.000000       7.663308 
1 1 1 -11 -44 40 o 14.002  5.9457  4.7808     35.179   -117.1008  104.805  20.257     37.345   17.481  8.4090  15.974  6.3806  1.506737       10.55571 
1 1 1 -11 -44 41 o 17.374  6.6031  31.203     38.447   0.0023     75.178   42.253     44.740   19.044  8.3841  19.296  7.1674  -0.2522678     11.03017 
1 1 1 -11 -44 42 o 65.684  5.1837  554.176    81.945   572.724    139.517  544.407    101.250  63.058  9.4061  64.013  6.6140  -0.9546661     11.49874 
1 1 1 -11 -44 43 o 36.268  5.0809  170.701    43.486   241.389    79.497   140.519    51.946   41.338  8.2152  32.008  6.8924  9.329590       10.72354 
1 1 1 -11 -44 44 o 44.534  4.4995  253.121    47.953   242.917    85.579   257.791    57.895   40.903  8.8776  44.430  5.4869  -3.526707      10.43640 
1 1 1 -11 -44 45 o 55.138  4.1409  384.615    54.996   348.531    96.485   401.981    66.933   49.582  8.3142  55.869  4.9900  -6.287056      9.696738 
1 1 1 -11 -44 46 o 57.015  4.1387  411.617    56.865   364.982    101.102  433.196    68.774   50.421  8.5706  57.996  4.9342  -7.574696      9.889489 
1 1 1 -11 -44 47 o 18.569  6.4486  43.428     35.530   67.771     73.855   36.097     40.528   23.442  9.0892  18.005  6.7946  5.437098       11.34810 
1 1 1 -11 -44 48 o 37.021  4.9943  178.926    43.718   240.466    83.721   155.855    51.262   40.339  8.8010  33.716  6.5017  6.623383       10.94214 
1 1 1 -11 -44 49 f 40.173  5.7360  215.181    54.324   286.023    103.210  188.035    63.891   42.720  10.114  36.402  7.4835  6.318157       12.58121 
1 1 1 -11 -44 50 o 46.822  5.3244  288.462    59.414   376.773    110.079  252.161    70.577   49.838  9.4487  42.521  7.0903  7.317226       11.81310 
1 1 1 -11 -44 51 o 50.400  5.0694  331.982    61.154   248.404    115.781  364.319    72.019   37.873  11.550  52.279  5.7739  -14.40615      12.91251 
1 1 1 -11 -44 52 o 32.275  6.5917  145.038    49.876   150.273    103.083  143.438    56.992   30.178  10.933  31.487  7.5560  -1.309019      13.29028 
1 1 1 -11 -44 53 o 16.843  7.4392  0.5559     59.662   -32.0665   120.689  11.106     68.635   20.913  9.7430  18.502  8.0813  2.410505       12.65837 
1 1 1 -11 -44 54 o 56.267  7.2936  444.400    97.234   429.180    170.211  451.772    118.466  46.487  13.965  54.603  9.2732  -8.116657      16.76380 
1 1 1 -11 -44 55 o 39.641  6.1412  213.670    57.158   331.016    117.658  177.421    65.394   44.737  10.932  34.841  7.9154  9.896118       13.49661 
1 1 1 -11 -44 56 o 14.555  6.3453  1.0726     42.136   40.132     98.422   -7.6933    46.625   22.604  9.7764  14.559  6.4950  8.045449       11.73720 
1 1 1 -11 -44 57 o 16.063  6.8119  12.361     46.078   6.8470     104.983  13.677     51.281   21.371  9.6233  16.817  7.1609  4.553968       11.99522 
1 1 1 -11 -44 58 o 12.151  5.9593  -100.7134  59.926   -60.3201   178.032  -105.8748  63.639   23.497  11.211  12.514  6.1380  10.98385       12.78101 
1 1 1 -11 -44 59 o 42.587  15.590  434.132    210.380  434.132    210.380  0.0000     0.0000   42.587  15.590  ?       ?       0.000000       15.59022 
1 1 1 -11 -44 60 o 32.617  9.5111  170.378    79.909   193.097    195.490  165.820    87.558   31.380  13.674  31.684  10.102  -0.3037529     17.00124 
1 1 1 -11 -44 61 o 31.536  9.7904  164.094    82.763   179.985    182.257  159.965    92.893   30.410  13.228  30.611  10.435  -0.2000866     16.84855 
1 1 1 -11 -43 1  o 24.348  8.3497  85.320     59.478   0.0062     96.463   137.648    75.547   20.394  9.2000  29.723  9.3741  -9.329062      13.13449 
1 1 1 -11 -43 2  o 28.169  8.2230  117.573    59.701   125.786    94.239   112.068    77.158   28.376  10.427  27.198  9.4996  1.177654       14.10573 
1 1 1 -11 -43 3  o 32.041  7.9890  149.921    61.896   182.705    98.642   128.630    79.492   33.334  10.733  28.880  9.6542  4.453547       14.43594 
1 1 1 -11 -43 4  o 17.957  7.4317  23.849     52.847   136.064    83.520   -51.0762   68.246   29.656  9.8958  15.267  7.1816  14.38851       12.22708 
1 1 1 -11 -43 5  o 56.595  5.6302  421.093    76.290   388.570    117.152  445.040    100.526  50.565  9.9029  56.586  7.5069  -6.020905      12.42661 
1 1 1 -11 -43 6  o 29.612  8.0546  126.486    59.408   211.688    96.757   74.932     75.265   36.697  10.394  24.186  9.2275  12.51111       13.89900 
1 1 1 -11 -43 7  o 22.186  8.1369  62.140     57.346   45.135     90.320   73.625     74.227   22.948  9.6235  24.119  9.1727  -1.171118      13.29475 
1 1 1 -11 -43 8  o 53.976  5.3797  377.990    69.518   296.451    100.595  452.529    96.181   44.765  9.5524  57.876  6.9906  -13.11110      11.83712 
1 1 1 -11 -43 9  o 12.616  5.8967  -36.3203   44.774   -44.8036   62.698   -27.4918   63.960   14.996  6.9986  16.057  7.3405  -1.060667      10.14217 
1 1 1 -11 -43 10 o 40.473  6.4488  218.721    61.205   192.986    88.456   242.359    84.775   35.940  9.8505  41.171  8.7556  -5.231174      13.17924 
1 1 1 -11 -43 11 o 61.133  4.9381  476.731    72.623   542.273    105.978  418.704    99.718   63.749  6.9647  55.472  7.6091  8.276703       10.31530 
1 1 1 -11 -43 12 o 31.725  7.1989  137.905    54.145   135.289    79.091   140.213    74.281   30.580  9.5834  31.187  9.1919  -0.6071453     13.27904 
1 1 1 -11 -43 13 o 54.488  5.3236  380.952    69.484   350.665    99.836   409.406    96.767   50.257  8.4895  55.161  7.4179  -4.904617      11.27368 
1 1 1 -11 -43 14 o 68.348  4.8423  591.708    79.785   654.057    113.952  531.750    111.746  70.524  6.7413  63.006  7.4540  7.518620       10.05019 
1 1 1 -11 -43 15 o 57.239  5.2874  418.687    72.604   305.666    113.701  496.499    94.343   45.562  10.500  61.674  6.3975  -16.11184      12.29578 
1 1 1 -11 -43 16 o 29.939  7.4734  122.684    54.120   74.722     78.032   167.139    75.125   25.028  9.4321  34.358  8.9294  -9.330381      12.98841 
1 1 1 -11 -43 17 o 65.214  4.6729  536.004    73.452   527.157    109.082  543.344    99.353   63.058  7.2620  64.615  6.4221  -1.556679      9.694311 
1 1 1 -11 -43 18 o 48.439  5.3389  300.159    61.707   251.616    89.299   344.522    85.368   42.399  8.9606  50.987  7.0924  -8.588146      11.42784 
1 1 1 -11 -43 19 o 36.798  6.5079  178.933    55.981   148.720    82.820   204.350    75.962   32.311  9.7493  38.453  8.3784  -6.141796      12.85484 
1 1 1 -11 -43 20 o 10.675  5.1757  -65.6701   41.662   -76.5748   60.752   -55.9883   57.244   13.489  6.4661  13.835  6.5288  -0.3459845     9.188841 
1 1 1 -11 -43 21 o 65.408  4.7393  538.662    74.706   483.860    107.551  589.755    103.848  60.359  7.5056  67.459  6.4220  -7.099274      9.878080 
1 1 1 -11 -43 22 o 46.378  5.7328  276.879    63.138   278.195    89.234   275.559    89.348   45.050  8.4745  44.798  8.5314  0.2517242      12.02512 
1 1 1 -11 -43 23 o 31.626  7.2816  135.136    54.721   47.842     76.935   224.515    77.848   22.896  9.1536  40.527  8.1982  -17.63077      12.28816 
1 1 1 -11 -43 24 o 43.946  5.8914  249.572    61.238   217.207    86.659   281.855    86.549   39.307  9.2417  45.586  8.1224  -6.279392      12.30379 
1 1 1 -11 -43 25 o 25.237  8.0668  84.489     55.801   95.131     74.468   70.864     84.265   26.949  9.3371  25.270  9.7335  1.678865       13.48787 
1 1 1 -11 -43 26 o 36.492  9.3399  187.940    83.046   187.940    83.046   0.0000     0.0000   36.492  9.3399  ?       ?       0.000000       9.339889 
1 1 1 -11 -43 27 o 63.581  7.2670  532.298    110.097  532.298    110.097  0.0000     0.0000   63.581  7.2670  ?       ?       0.000000       7.267029 
1 1 1 -11 -43 28 o 44.607  5.7871  256.395    61.160   201.782    92.875   298.211    81.269   37.505  10.017  47.394  7.3015  -9.889297      12.39531 
1 1 1 -11 -43 29 o 23.965  8.2787  72.656     58.522   189.760    141.965  48.682     64.234   35.841  12.851  21.926  8.4835  13.91534       15.39843 
1 1 1 -11 -43 30 o 38.701  7.2658  200.361    65.723   120.595    149.256  219.548    73.202   31.697  12.722  40.306  7.7666  -8.608971      14.90539 
1 1 1 -11 -43 31 o 26.652  8.0198  96.059     56.098   67.812     140.814  101.388    61.161   28.479  11.983  27.326  8.4052  1.153278       14.63721 
1 1 1 -11 -43 32 o 41.825  7.1437  232.725    69.895   199.720    152.974  241.433    78.576   36.507  13.305  42.189  7.9679  -5.681763      15.50821 
1 1 1 -11 -43 33 o 63.231  6.2552  516.688    94.712   699.074    179.360  446.166    111.530  69.636  10.979  57.471  8.2331  12.16495       13.72290 
1 1 1 -11 -43 34 o 8.3119  4.0931  -60.2793   29.209   -117.2669  73.816   -49.6997   31.805   13.953  6.7933  9.4002  4.5488  4.552504       8.175588 
1 1 1 -11 -43 35 o 26.973  6.1992  96.661     39.722   111.211    114.086  94.654     42.373   29.656  11.350  26.585  6.5995  3.070955       13.12884 
1 1 1 -11 -43 36 o 47.834  4.6979  289.289    53.823   465.267    133.469  255.113    58.818   57.295  9.9623  44.532  5.5649  12.76284       11.41126 
1 1 1 -11 -43 37 o 55.810  4.8753  394.305    65.357   0.0000     0.0000   394.305    65.357   ?       ?       55.810  4.8753  0.000000       4.875258 
1 1 1 -11 -43 38 o 13.726  5.8708  1.9645     34.750   0.0000     0.0000   1.9645     34.750   ?       ?       13.726  5.8708  0.000000       5.870846 
1 1 1 -11 -43 39 o 56.496  4.1290  399.761    56.209   373.861    106.642  409.724    66.143   51.929  8.7764  56.872  4.8392  -4.942932      10.02217 
1 1 1 -11 -43 40 o 58.789  5.0700  439.866    71.615   490.493    121.659  413.020    88.591   59.611  8.6648  56.037  6.6450  3.574051       10.91944 
1 1 1 -11 -43 41 o 52.701  5.2188  355.473    65.858   440.714    113.828  312.581    80.745   56.439  8.5824  48.355  7.0928  8.084484       11.13401 
1 1 1 -11 -43 42 o 21.995  7.0488  63.702     42.584   20.013     81.426   80.150     49.962   21.043  8.9934  24.346  7.6147  -3.302958      11.78409 
1 1 1 -11 -43 43 o 43.575  5.8108  247.943    59.907   355.100    111.760  204.740    70.963   49.548  9.6429  38.433  7.8744  11.11525       12.44951 
1 1 1 -11 -43 44 o 38.788  4.7859  192.880    44.087   230.480    80.976   177.039    52.560   40.335  8.5400  36.520  6.1499  3.814251       10.52392 
1 1 1 -11 -43 45 o 15.064  6.0763  16.389     34.234   42.165     67.099   7.3186     39.805   21.181  8.5198  14.978  6.3404  6.202744       10.62017 
1 1 1 -11 -43 46 o 46.061  4.5110  270.298    49.769   268.100    88.573   271.312    60.165   43.241  8.7425  45.606  5.5516  -2.364685      10.35621 
1 1 1 -11 -43 47 o 20.050  6.4072  52.985     35.204   9.4943     70.575   67.391     40.618   19.005  8.2491  22.293  6.8485  -3.288162      10.72142 
1 1 1 -11 -43 48 o 16.536  6.1872  29.629     33.460   26.529     69.303   30.571     38.208   19.986  8.4080  17.168  6.5686  2.818270       10.66962 
1 1 1 -11 -43 49 o 44.579  4.6087  255.117    49.132   326.112    94.253   228.628    57.573   47.676  8.4573  41.481  5.8851  6.195087       10.30342 
1 1 1 -11 -43 50 o 26.105  7.2936  96.324     47.983   175.175    96.357   70.324     55.331   33.103  10.602  22.850  8.0408  10.25239       13.30659 
1 1 1 -11 -43 51 o 17.008  6.8952  23.796     44.324   156.658    92.688   -15.5936   50.468   31.382  10.423  14.677  6.6346  16.70466       12.35512 
1 1 1 -11 -43 52 o 24.108  7.3484  82.152     46.877   185.510    97.943   51.439     53.390   33.703  10.678  20.608  7.7933  13.09530       13.21970 
1 1 1 -11 -43 53 o 18.843  7.7038  31.145     55.899   -16.6137   97.150   54.783     68.347   19.816  9.0541  21.826  8.6590  -2.010292      12.52817 
1 1 1 -11 -43 54 o 25.092  9.4812  87.955     78.977   0.0000     0.0000   87.955     78.977   ?       ?       25.092  9.4812  0.000000       9.481158 
1 1 1 -11 -43 55 o 15.531  6.9394  -8.2350    53.450   -75.7418   121.629  7.9220     59.504   19.682  9.3555  17.390  7.5614  2.291889       12.02910 
1 1 1 -11 -43 56 o 33.746  6.4972  157.003    51.270   96.750     113.188  172.556    57.507   26.729  10.949  35.096  6.9985  -8.367214      12.99467 
1 1 1 -11 -43 57 o 15.804  6.7981  7.1026     47.072   76.108     103.917  -10.7120   52.800   25.179  10.421  15.293  6.8606  9.885476       12.47653 
1 1 1 -11 -43 58 o 16.372  6.8725  15.209     46.137   54.715     106.576  6.0978     51.181   24.040  10.282  16.264  7.0421  7.775795       12.46218 
1 1 1 -11 -43 59 o 24.956  9.2778  87.838     75.000   410.917    185.342  24.576     82.015   44.268  14.740  20.624  8.9221  23.64383       17.23006 
1 1 1 -11 -43 60 o 33.376  9.5409  175.366    81.138   172.396    198.936  175.958    88.866   31.303  13.713  32.956  10.131  -1.652483      17.04936 
1 1 1 -11 -43 61 o 14.136  6.7225  -57.6873   62.958   -223.8766  159.933  -27.2123   68.487   18.885  9.3506  16.243  7.4879  2.641752       11.97929 
1 1 1 -11 -43 62 o 60.649  7.4489  525.787    107.313  452.114    239.338  544.326    120.058  40.206  16.120  60.542  8.3991  -20.33589      18.17661 
1 1 1 -11 -42 1  o 26.288  8.2774  100.235    58.925   137.299    95.113   77.149     75.066   29.648  10.530  24.192  9.2187  5.456163       13.99552 
1 1 1 -11 -42 2  o 10.502  5.1332  -74.1284   43.349   -0.7700    66.523   -128.2672  57.148   17.758  7.8488  11.005  5.4730  6.752765       9.568579 
1 1 1 -11 -42 3  o 55.689  5.5260  405.290    73.684   456.277    111.524  365.791    98.160   56.685  8.3593  50.773  8.2511  5.912422       11.74559 
1 1 1 -11 -42 4  o 61.643  5.1455  490.163    76.258   477.899    116.058  499.480    101.161  58.072  8.4871  60.760  6.9890  -2.688374      10.99443 
1 1 1 -11 -42 5  o 38.720  7.0601  205.015    63.886   173.270    99.717   227.118    83.205   33.394  10.795  39.574  8.8830  -6.179688      13.98012 
1 1 1 -11 -42 6  o 43.238  6.4244  249.209    65.353   303.971    105.050  214.635    83.471   45.324  9.8348  38.408  9.0970  6.916645       13.39692 
1 1 1 -11 -42 7  o 46.856  5.7413  286.300    63.909   273.454    90.354   299.161    90.407   43.843  8.7993  46.223  8.3689  -2.379902      12.14361 
1 1 1 -11 -42 8  f 29.654  7.5045  121.743    54.043   100.743    74.773   144.711    78.198   27.073  9.3575  31.563  9.4622  -4.490490      13.30771 
1 1 1 -11 -42 9  o 25.442  7.7836  88.398     52.530   59.738     74.899   116.142    73.693   23.423  9.1334  28.709  9.2802  -5.285557      13.02077 
1 1 1 -11 -42 10 o 72.761  4.6432  667.721    81.546   729.603    117.820  610.820    112.980  74.686  6.5683  68.010  6.9438  6.675713       9.558175 
1 1 1 -11 -42 11 o 63.367  4.7855  507.560    73.037   527.566    107.090  490.162    99.869   63.130  7.1152  61.002  6.8665  2.127571       9.888129 
1 1 1 -11 -42 12 o 41.475  6.0655  224.332    59.236   180.201    86.202   263.815    81.536   35.375  9.7360  44.043  7.9210  -8.668335      12.55120 
1 1 1 -11 -42 13 o 60.765  4.8959  466.763    71.573   471.151    102.839  462.642    99.675   59.669  7.2521  59.239  7.0745  0.4306068      10.13121 
1 1 1 -11 -42 14 o 41.417  5.9887  222.757    58.435   138.139    84.329   300.918    81.048   31.298  9.9075  47.589  7.2478  -16.29120      12.27558 
1 1 1 -11 -42 15 o 86.390  4.4220  933.028    92.381   925.364    134.694  939.835    126.944  84.510  6.6217  85.536  6.1576  -1.026749      9.042270 
1 1 1 -11 -42 16 o 84.571  4.3793  893.267    89.558   839.294    130.395  941.462    123.218  80.416  6.7450  85.805  5.9552  -5.388573      8.997765 
1 1 1 -11 -42 17 o 46.689  5.4423  278.467    60.497   298.836    88.807   260.831    82.636   47.069  8.0660  43.918  8.0515  3.151573       11.39676 
1 1 1 -11 -42 18 o 57.230  4.8995  412.993    67.380   424.294    96.494   402.240    94.128   56.843  7.1547  55.312  7.1831  1.530964       10.13842 
1 1 1 -11 -42 19 o 129.504 4.4116  2087.87    138.627  2128.46    200.222  2050.50    192.125  128.958 6.3988  126.728 6.2481  2.229897       8.943370 
1 1 1 -11 -42 20 o 53.008  5.1067  355.569    64.869   440.555    95.463   282.661    88.419   58.121  6.9042  45.701  8.2784  12.41993       10.77958 
1 1 1 -11 -42 21 o 63.239  4.7923  502.410    72.988   473.309    102.523  532.317    103.933  60.125  7.1689  64.032  6.7933  -3.907185      9.876320 
1 1 1 -11 -42 22 o 24.959  7.7072  82.328     51.367   116.823    72.897   48.309     72.393   29.279  9.2046  22.681  8.9390  6.597359       12.83084 
1 1 1 -11 -42 23 o 99.553  4.3213  1231.53    104.384  1238.92    148.274  1224.28    146.976  98.429  6.2406  97.858  6.2222  0.5705719      8.812595 
1 1 1 -11 -42 24 o 89.231  4.8142  997.505    103.848  987.829    134.224  1011.93    163.911  87.789  6.3440  87.698  7.7838  0.9107971E-01  10.04161 
1 1 1 -11 -42 25 o 76.709  6.4875  756.954    119.619  756.954    119.619  0.0000     0.0000   76.709  6.4875  ?       ?       0.000000       6.487508 
1 1 1 -11 -42 26 o 79.788  6.5059  818.746    124.855  818.746    124.855  0.0000     0.0000   79.788  6.5059  ?       ?       0.000000       6.505864 
1 1 1 -11 -42 27 o 76.538  5.3031  739.452    97.878   592.098    196.541  788.049    112.870  62.355  13.390  78.628  5.9605  -16.27273      14.65687 
1 1 1 -11 -42 28 o 76.259  4.9236  730.196    90.618   645.784    193.719  753.841    102.527  66.023  12.551  77.162  5.5123  -11.13972      13.70837 
1 1 1 -11 -42 29 o 86.281  4.1809  923.464    87.529   1003.65    133.887  863.617    115.670  88.554  6.2717  82.416  5.8217  6.138359       8.557249 
1 1 1 -11 -42 30 o 90.838  4.1516  1023.33    91.507   1095.74    138.235  966.862    122.084  92.600  6.1880  87.232  5.8010  5.368690       8.481945 
1 1 1 -11 -42 31 o 36.030  7.3529  173.572    62.106   105.266    135.254  191.822    69.913   30.553  12.162  37.682  7.8990  -7.128817      14.50210 
1 1 1 -11 -42 32 o 58.675  6.3689  443.964    89.217   542.083    168.884  405.982    105.076  60.901  11.855  55.109  8.0998  5.792408       14.35803 
1 1 1 -11 -42 33 o 60.033  6.3752  464.780    91.443   642.578    171.824  394.525    108.008  67.247  10.904  54.042  8.5191  13.20575       13.83718 
1 1 1 -11 -42 34 o 118.689 6.0321  1795.29    173.145  2235.17    279.137  1520.19    220.743  128.802 8.9879  106.583 8.6091  22.21888       12.44587 
1 1 1 -11 -42 35 o 47.496  6.8348  295.478    76.500   302.418    157.425  293.333    87.529   43.949  13.479  46.708  8.0116  -2.759090      15.68055 
1 1 1 -11 -42 36 o 29.631  6.0558  115.387    42.069   0.0000     0.0000   115.387    42.069   ?       ?       29.631  6.0558  0.000000       6.055762 
1 1 1 -11 -42 37 o 68.908  4.8073  597.007    79.873   0.0000     0.0000   597.007    79.873   ?       ?       68.908  4.8073  0.000000       4.807275 
1 1 1 -11 -42 38 o 84.488  3.8612  884.145    79.156   964.933    136.014  842.771    97.337   86.426  6.5343  81.830  4.9253  4.595108       8.182614 
1 1 1 -11 -42 39 o 47.184  4.1432  278.706    46.955   219.895    80.796   308.698    57.699   39.895  8.5999  49.391  4.8783  -9.496059      9.887167 
1 1 1 -11 -42 40 o 53.967  3.9895  363.435    51.870   305.823    87.988   394.121    64.215   47.609  7.8933  55.880  4.7821  -8.271393      9.228906 
1 1 1 -11 -42 41 o 31.269  5.3417  126.732    39.073   67.384     71.175   152.333    46.746   24.061  9.0197  34.152  5.8517  -10.09084      10.75165 
1 1 1 -11 -42 42 o 54.778  5.2595  382.770    69.047   354.390    119.924  396.843    84.449   49.467  10.325  55.137  6.4332  -5.670677      12.16528 
1 1 1 -11 -42 43 o 64.253  5.1210  525.003    79.175   606.161    135.769  483.179    97.464   66.439  8.6254  60.625  6.7397  5.813904       10.94626 
1 1 1 -11 -42 44 o 25.837  7.1544  90.865     46.385   115.719    89.590   81.762     54.217   28.932  10.226  24.672  7.9584  4.260229       12.95798 
1 1 1 -11 -42 45 o 18.784  6.4033  43.647     34.977   134.847    68.472   11.448     40.685   30.795  8.7514  15.573  6.4890  15.22208       10.89468 
1 1 1 -11 -42 46 o 46.368  4.4110  272.290    49.029   283.720    88.283   267.192    58.957   45.055  8.3840  45.434  5.4571  -0.3791046     10.00363 
1 1 1 -11 -42 47 o 44.666  4.5677  253.973    48.808   324.238    91.071   225.659    57.812   48.375  8.0412  41.431  5.9191  6.943863       9.984799 
1 1 1 -11 -42 48 o 29.930  5.8898  119.496    41.250   182.427    79.829   96.572     48.181   35.243  9.2269  26.388  7.2855  8.854561       11.75643 
1 1 1 -11 -42 49 o 54.221  4.2640  372.177    55.645   451.518    100.703  337.305    66.763   57.516  7.3866  50.914  5.4911  6.601536       9.204054 
1 1 1 -11 -42 50 o 56.808  4.2448  408.836    58.087   451.898    105.084  389.889    69.705   57.064  7.7932  54.827  5.3060  2.236538       9.428015 
1 1 1 -11 -42 51 o 17.418  6.9685  26.660     44.625   83.823     93.992   10.026     50.704   25.708  10.168  16.647  7.1052  9.060089       12.40491 
1 1 1 -11 -42 52 o 19.717  7.3162  46.501     46.594   139.068    93.918   16.279     53.663   29.984  10.480  17.479  7.3784  12.50535       12.81700 
1 1 1 -11 -42 53 o 32.760  7.6065  153.038    59.303   115.849    178.659  157.643    62.867   29.738  13.012  33.053  7.9385  -3.315006      15.24264 
1 1 1 -11 -42 54 o 24.064  9.3041  74.666     77.221   0.0000     0.0000   74.666     77.221   ?       ?       24.064  9.3041  0.000000       9.304119 
1 1 1 -11 -42 55 f 22.551  8.6502  63.365     66.367   111.146    130.823  46.806     77.013   28.237  11.690  21.857  9.0014  6.380690       14.75412 
1 1 1 -11 -42 56 o 42.940  8.3141  267.179    83.495   206.850    153.430  292.562    99.522   33.801  13.102  43.780  9.6304  -9.979187      16.26061 
1 1 1 -11 -42 57 o 35.108  6.9150  171.246    56.811   164.960    119.499  173.082    64.575   31.571  11.716  34.686  7.8550  -3.114910      14.10577 
1 1 1 -11 -42 58 o 27.820  7.5046  110.606    51.824   184.589    104.703  86.600     59.643   33.507  11.075  24.727  8.3620  8.780556       13.87732 
1 1 1 -11 -42 59 o 18.287  7.1860  33.918     46.654   3.6230     102.553  41.824     52.389   21.294  9.5564  19.598  7.6395  1.695883       12.23463 
1 1 1 -11 -42 60 o 12.717  6.2012  -95.0143   62.174   -196.6136  173.838  -80.1119   66.578   20.630  10.124  13.857  6.6745  6.773340       12.12651 
1 1 1 -11 -42 61 o 27.001  9.7278  109.668    81.441   290.282    180.300  63.370     91.285   37.277  14.267  23.692  9.7831  13.58541       17.29946 
1 1 1 -11 -42 62 o 41.381  9.2255  263.224    90.267   395.101    219.186  236.289    99.058   40.099  15.627  37.886  10.441  2.212692       18.79431 
1 1 1 -11 -41 1  o 29.480  9.9330  129.512    84.156   190.790    100.858  -10.9379   152.692  34.772  10.810  24.523  11.259  10.24887       15.60812 
1 1 1 -11 -41 2  o 32.726  9.8402  161.168    84.478   169.336    100.856  141.964    154.648  33.036  10.867  31.368  12.818  1.667807       16.80464 
1 1 1 -11 -41 3  o 24.353  9.3996  70.931     78.706   77.500     91.747   52.624     153.163  25.540  10.064  27.326  12.000  -1.785734      15.66152 
1 1 1 -11 -41 4  o 72.972  6.9151  708.276    120.977  597.641    150.657  909.114    202.986  64.076  10.018  77.859  11.055  -13.78332      14.91924 
1 1 1 -11 -41 5  f 35.677  7.3344  173.979    61.370   223.389    103.276  147.007    76.303   38.416  10.689  31.892  9.2924  6.524080       14.16334 
1 1 1 -11 -41 6  o 53.355  5.5217  366.478    70.451   381.033    107.641  355.572    93.181   52.256  8.8022  51.193  7.7435  1.063690       11.72353 
1 1 1 -11 -41 7  o 24.735  7.6184  82.414     50.227   90.495     71.437   74.515     70.634   26.175  9.1407  24.588  9.0286  1.586414       12.84793 
1 1 1 -11 -41 8  o 58.452  5.0998  434.061    71.605   462.267    101.474  406.087    101.056  59.046  7.2340  54.932  7.8010  4.114677       10.63888 
1 1 1 -11 -41 9  o 73.998  4.6082  687.726    82.329   706.865    118.795  670.039    114.203  73.646  6.7220  71.752  6.6347  1.893204       9.444829 
1 1 1 -11 -41 10 o 46.628  5.4033  278.004    59.999   313.240    87.507   246.742    82.425   48.333  7.7215  42.485  8.2934  5.848366       11.33144 
1 1 1 -11 -41 11 o 62.242  4.7693  487.459    71.479   588.970    103.569  395.130    98.775   67.523  6.3978  54.468  7.6875  13.05525       10.00148 
1 1 1 -11 -41 12 o 62.112  4.8604  485.690    72.666   486.696    104.429  484.746    101.178  60.893  7.2077  60.916  6.9707  -0.2273941E-01 10.02710 
1 1 1 -11 -41 13 o 73.857  4.6087  682.820    82.180   614.019    116.886  750.074    115.564  68.574  7.1290  76.434  6.2870  -7.859528      9.505219 
1 1 1 -11 -41 14 o 37.903  6.3161  187.404    56.044   255.690    79.987   121.554    78.548   43.681  7.8346  29.839  9.5743  13.84241       12.37129 
1 1 1 -11 -41 15 o 28.526  7.2475  109.187    50.265   18.986     72.088   194.541    70.124   20.416  8.5815  37.989  7.8665  -17.57248      11.64145 
1 1 1 -11 -41 16 o 52.856  4.9464  352.093    62.700   301.700    92.577   394.795    85.220   47.296  8.3736  55.292  6.4747  -7.996330      10.58482 
1 1 1 -11 -41 17 o 71.470  4.4185  636.937    76.247   578.738    111.996  687.216    104.097  66.759  7.0190  73.495  5.8868  -6.735489      9.160859 
1 1 1 -11 -41 18 o 125.305 4.3524  1949.18    132.330  1990.10    191.274  1911.61    183.269  124.904 6.3320  122.550 6.1832  2.354218       8.850198 
1 1 1 -11 -41 19 o 39.647  6.1217  203.332    56.994   220.387    83.320   188.335    78.134   40.123  8.8005  37.025  8.8226  3.098175       12.46143 
1 1 1 -11 -41 20 o 121.073 4.3489  1818.96    127.757  1731.09    183.088  1902.35    178.356  116.359 6.5109  122.591 5.9961  -6.231941      8.851261 
1 1 1 -11 -41 21 o 77.914  4.4436  756.157    83.659   770.709    117.748  741.323    118.883  77.658  6.3033  76.030  6.5069  1.628662       9.059338 
1 1 1 -11 -41 22 o 121.062 4.3669  1818.44    128.276  1732.74    181.628  1903.72    181.193  116.507 6.4501  122.589 6.0915  -6.081909      8.871848 
1 1 1 -11 -41 23 o 66.515  6.7959  570.897    108.141  570.897    108.141  0.0000     0.0000   66.515  6.7959  ?       ?       0.000000       6.795908 
1 1 1 -11 -41 24 o 111.550 6.2416  1583.17    168.260  1583.17    168.260  0.0000     0.0000   111.550 6.2416  ?       ?       0.000000       6.241571 
1 1 1 -11 -41 25 o 100.262 5.3160  1263.23    128.864  1197.96    150.510  1442.47    249.410  96.852  6.4413  102.686 10.143  -5.833458      12.01517 
1 1 1 -11 -41 26 f 44.606  5.8440  254.756    61.730   204.632    90.009   299.268    84.821   38.314  9.6788  47.609  7.5981  -9.295033      12.30488 
1 1 1 -11 -41 27 o 97.324  4.5752  1177.37    108.041  1281.81    191.249  1128.42    130.936  98.851  8.0434  94.480  5.7388  4.371086       9.880747 
1 1 1 -11 -41 28 o 107.849 4.1501  1439.68    108.602  1505.22    161.713  1385.85    146.573  108.845 6.1483  104.693 5.7925  4.151489       8.447126 
1 1 1 -11 -41 29 o 68.461  4.3650  583.554    72.130   589.437    112.816  579.487    93.809   67.491  6.9905  67.580  5.7764  -0.8924103E-01 9.068267 
1 1 1 -11 -41 30 o 107.413 4.1837  1428.68    109.037  1534.88    162.304  1341.32    147.203  109.933 6.1088  102.888 5.9214  7.044884       8.507638 
1 1 1 -11 -41 31 o 77.524  4.2390  746.750    79.436   856.542    121.418  664.591    105.033  82.007  6.1467  72.242  6.0476  9.764648       8.622938 
1 1 1 -11 -41 32 o 112.124 3.8552  1552.28    104.884  1734.34    166.952  1433.57    134.808  117.029 5.8984  106.996 5.1926  10.03323       7.858388 
1 1 1 -11 -41 33 o 33.811  8.2137  155.283    66.718   353.379    136.464  93.059     76.482   49.341  11.595  27.080  9.4579  22.26024       14.96302 
1 1 1 -11 -41 34 o 104.722 7.5942  1428.99    191.655  0.0000     0.0000   1428.99    191.655  ?       ?       104.722 7.5942  0.000000       7.594203 
1 1 1 -11 -41 35 f 55.121  7.5272  399.642    98.042   0.0000     0.0000   399.642    98.042   ?       ?       55.121  7.5272  0.000000       7.527208 
1 1 1 -11 -41 36 o 47.325  7.8800  298.426    87.304   0.0000     0.0000   298.426    87.304   ?       ?       47.325  7.8800  0.000000       7.879993 
1 1 1 -11 -41 37 o 27.453  5.8315  98.588     37.645   107.189    87.948   96.658     41.653   28.758  10.135  27.024  6.4432  1.734352       12.01011 
1 1 1 -11 -41 38 o 44.940  4.2274  252.630    45.555   149.542    79.795   302.476    55.486   32.771  9.4895  49.034  4.7220  -16.26332      10.59942 
1 1 1 -11 -41 39 o 79.578  3.7749  782.479    72.890   686.685    118.197  841.266    92.592   72.846  6.7643  81.997  4.6732  -9.150719      8.221569 
1 1 1 -11 -41 40 o 48.756  4.2455  297.350    49.724   284.106    87.156   303.740    60.544   45.908  8.1214  48.930  5.1783  -3.021832      9.631833 
1 1 1 -11 -41 41 o 61.000  3.9144  462.619    57.632   550.616    98.164   416.334    71.193   65.394  6.2632  57.338  5.1729  8.055820       8.123198 
1 1 1 -11 -41 42 o 50.174  4.1436  314.736    49.994   300.695    86.752   321.717    61.174   47.323  7.8289  50.367  5.0747  -3.044319      9.329762 
1 1 1 -11 -41 43 o 64.172  5.2031  522.200    80.320   400.792    136.751  586.140    99.242   52.323  11.115  67.460  6.1298  -15.13744      12.69280 
1 1 1 -11 -41 44 o 56.182  5.3077  402.254    71.498   425.901    125.591  390.915    86.967   54.911  9.7850  54.620  6.7026  0.2902794      11.86048 
1 1 1 -11 -41 45 o 21.773  7.2206  60.802     44.492   98.454     88.876   48.211     51.395   27.584  10.128  20.706  7.6837  6.878918       12.71268 
1 1 1 -11 -41 46 o 39.052  4.8461  194.726    44.933   157.512    84.696   209.303    53.007   32.964  9.8396  40.192  5.5864  -7.228527      11.31489 
1 1 1 -11 -41 47 o 37.884  4.9494  184.099    44.408   209.036    83.315   174.202    52.486   38.216  9.1130  36.307  6.1792  1.909599       11.01046 
1 1 1 -11 -41 48 o 58.895  4.1541  435.868    58.983   507.031    104.747  402.827    71.375   61.574  7.1437  55.997  5.3169  5.577225       8.905119 
1 1 1 -11 -41 49 o 18.259  6.4970  39.607     36.221   71.636     74.494   29.690     41.451   24.263  9.1984  17.542  6.8072  6.721067       11.44331 
1 1 1 -11 -41 50 o 34.429  5.4903  155.421    44.325   309.452    85.532   98.868     51.827   47.397  7.7017  26.621  7.6301  20.77559       10.84137 
1 1 1 -11 -41 51 o 38.470  5.3746  193.216    48.799   291.518    90.264   152.620    58.006   45.258  8.5326  33.104  7.4067  12.15398       11.29883 
1 1 1 -11 -41 52 o 21.684  7.4044  61.908     46.769   66.069     96.107   60.616     53.536   24.708  10.101  21.842  7.8844  2.865490       12.81420 
1 1 1 -11 -41 53 o 24.834  8.0635  86.478     55.594   179.490    174.488  75.969     58.651   32.946  13.556  23.683  8.2817  9.262974       15.88597 
1 1 1 -11 -41 54 o 29.716  7.5656  125.558    54.694   101.307    110.888  133.354    62.874   27.421  10.980  30.253  8.3101  -2.832113      13.77011 
1 1 1 -11 -41 55 o 37.893  8.6217  210.383    77.486   132.310    143.984  242.212    91.933   29.937  12.316  39.919  9.6075  -9.981127      15.62018 
1 1 1 -11 -41 56 o 31.417  10.079  153.550    87.050   0.0000     0.0000   153.550    87.050   ?       ?       31.417  10.079  0.000000       10.07897 
1 1 1 -11 -41 57 o 39.219  6.5895  209.575    60.483   189.348    149.343  213.544    66.150   33.159  12.906  39.181  7.2244  -6.021832      14.79037 
1 1 1 -11 -41 58 o 19.980  7.4806  47.291     48.927   -24.1836   107.516  65.959     54.946   20.610  9.4568  22.383  7.9980  -1.773415      12.38547 
1 1 1 -11 -41 59 o 17.002  6.9876  20.762     46.289   -41.8684   98.488   38.519     52.442   19.089  8.8625  19.350  7.6139  -0.2616405     11.68403 
1 1 1 -11 -41 60 o 29.163  9.6087  128.653    78.836   -104.9030  197.849  172.735    85.954   24.103  11.585  33.344  9.9032  -9.240969      15.24054 
1 1 1 -11 -41 61 o 22.543  9.0485  56.833     75.509   121.519    196.842  45.673     81.764   30.222  13.422  22.130  9.2083  8.092218       16.27739 
1 1 1 -11 -41 62 o 37.754  9.7812  223.040    90.326   177.825    196.940  235.086    101.648  31.931  13.820  37.976  10.618  -6.044556      17.42756 
1 1 1 -11 -41 63 o 54.320  8.1474  427.979    104.073  68.582     239.548  511.600    115.548  28.680  13.479  59.320  8.2513  -30.63996      15.80418 
1 1 1 -11 -40 1  o 29.393  9.7249  124.522    80.723   113.783    94.941   152.539    153.351  28.604  10.473  32.395  12.933  -3.791550      16.64159 
1 1 1 -11 -40 2  o 31.334  9.7654  142.857    82.252   136.217    96.995   159.854    155.193  30.666  10.654  33.097  13.074  -2.430891      16.86559 
1 1 1 -11 -40 3  o 59.677  7.2269  475.096    102.513  482.313    124.998  460.270    179.155  58.692  9.0697  52.632  13.843  6.060471       16.54992 
1 1 1 -11 -40 4  o 54.636  7.7345  402.313    99.670   432.795    122.460  342.496    171.547  55.418  9.4459  45.169  14.107  10.24824       16.97754 
1 1 1 -11 -40 5  o 22.208  8.6547  50.031     67.225   20.790     76.521   148.928    140.728  20.809  8.7988  32.847  12.597  -12.03785      15.36567 
1 1 1 -11 -40 6  o 23.952  8.7982  68.347     67.084   79.890     77.551   34.034     133.706  25.611  9.4515  26.330  11.391  -0.7186699     14.80176 
1 1 1 -11 -40 7  o 58.014  6.9044  440.283    95.281   462.775    113.065  385.175    176.980  58.688  8.1608  48.821  14.131  9.867222       16.31834 
1 1 1 -11 -40 8  o 49.795  8.8951  339.727    103.529  339.727    103.529  0.0000     0.0000   49.795  8.8951  ?       ?       0.000000       8.895109 
1 1 1 -11 -40 9  o 58.117  7.1070  441.812    98.132   466.752    115.538  377.233    185.916  59.014  8.2979  48.294  14.615  10.71999       16.80643 
1 1 1 -11 -40 10 o 69.005  6.5875  614.006    108.958  625.654    129.848  586.288    200.307  68.781  7.9254  61.780  13.720  7.001080       15.84418 
1 1 1 -11 -40 11 o 22.835  8.9316  50.025     71.796   19.712     80.576   166.816    158.159  21.399  9.0376  35.167  13.386  -13.76780      16.15115 
1 1 1 -11 -40 12 o 13.538  6.1779  -25.4111   45.058   -20.3600   64.660   -30.1791   62.822   16.952  7.5994  16.122  7.3332  0.8299065      10.56066 
1 1 1 -11 -40 13 o 61.160  4.8347  469.061    71.161   508.564    99.999   428.534    101.287  62.811  6.6631  57.175  7.4805  5.636787       10.01770 
1 1 1 -11 -40 14 f 22.390  7.3097  63.385     45.662   34.316     67.894   87.393     61.702   21.221  8.5581  25.955  8.4982  -4.733654      12.06072 
1 1 1 -11 -40 15 o 64.282  4.5150  515.466    69.975   543.736    102.260  490.572    95.960   65.061  6.5675  61.808  6.4957  3.252880       9.237243 
1 1 1 -11 -40 16 o 47.843  5.1768  289.201    59.138   225.148    84.435   350.876    82.854   40.656  8.8135  52.094  6.7109  -11.43768      11.07760 
1 1 1 -11 -40 17 o 94.927  4.2057  1115.08    96.870   1067.80    140.650  1157.74    133.609  91.549  6.3715  95.744  5.7783  -4.194855      8.601427 
1 1 1 -11 -40 18 o 48.926  5.1695  302.064    60.440   277.296    87.892   324.283    83.247   45.548  8.2569  49.918  7.0707  -4.370647      10.87062 
1 1 1 -11 -40 19 o 28.483  7.1577  107.838    49.409   93.703     72.677   119.985    67.373   27.099  9.2303  29.826  8.7436  -2.727289      12.71410 
1 1 1 -11 -40 20 o 77.691  4.4159  750.110    82.901   766.104    117.393  734.199    117.087  77.586  6.2900  75.870  6.4204  1.715477       8.988097 
1 1 1 -11 -40 21 o 68.930  4.5214  591.516    75.203   588.921    106.848  594.063    105.864  67.833  6.5743  68.183  6.4768  -0.3491669     9.228723 
1 1 1 -11 -40 22 o 115.884 6.2527  1701.76    175.163  1701.76    175.163  0.0000     0.0000   115.884 6.2527  ?       ?       0.000000       6.252669 
1 1 1 -11 -40 23 f 39.477  8.6801  210.876    80.881   210.876    80.881   0.0000     0.0000   39.477  8.6801  ?       ?       0.000000       8.680133 
1 1 1 -11 -40 24 o 65.152  5.8977  537.790    92.224   484.775    105.462  710.091    190.125  61.180  7.2450  71.239  11.382  -10.05885      13.49250 
1 1 1 -11 -40 25 o 98.690  4.3041  1204.78    103.066  1091.33    146.433  1316.15    145.092  92.560  6.5626  102.156 5.8783  -9.596458      8.810358 
1 1 1 -11 -40 26 o 96.197  4.0698  1142.31    94.994   1183.14    142.897  1109.99    127.160  96.686  6.1227  93.955  5.6033  2.731041       8.299673 
1 1 1 -11 -40 27 o 58.364  4.5078  424.479    63.342   561.403    101.323  336.638    81.155   66.350  6.3720  51.103  6.7070  15.24760       9.251238 
1 1 1 -11 -40 28 o 53.877  4.6225  362.584    59.844   363.416    97.402   362.079    75.848   52.565  7.8796  53.341  5.9623  -0.7762527     9.881154 
1 1 1 -11 -40 29 o 112.558 4.1433  1565.17    113.159  1696.82    167.115  1453.68    153.778  115.953 5.9599  107.326 5.9281  8.627304       8.406123 
1 1 1 -11 -40 30 o 68.257  4.3139  578.657    71.078   559.390    111.746  591.750    92.114   65.822  7.1097  68.495  5.5912  -2.673004      9.044832 
1 1 1 -11 -40 31 f 74.889  4.1826  695.307    75.698   839.025    116.210  589.379    99.768   81.441  5.9213  68.102  6.1024  13.33839       8.503003 
1 1 1 -11 -40 32 o 25.142  5.8654  82.568     35.127   55.706     82.785   88.466     38.793   24.345  9.5705  25.963  6.2361  -1.617645      11.42289 
1 1 1 -11 -40 33 o 46.827  4.8615  275.632    54.432   0.0000     0.0000   275.632    54.432   ?       ?       46.827  4.8615  0.000000       4.861455 
1 1 1 -11 -40 34 o 79.354  7.1991  813.387    137.108  0.0000     0.0000   813.387    137.108  ?       ?       79.354  7.1991  0.000000       7.199140 
1 1 1 -11 -40 35 o 39.929  8.2308  214.372    77.093   0.0000     0.0000   214.372    77.093   ?       ?       39.929  8.2308  0.000000       8.230754 
1 1 1 -11 -40 36 o 60.312  6.0504  463.618    87.349   451.913    160.502  468.544    104.118  55.729  12.207  59.995  7.3030  -4.266228      14.22507 
1 1 1 -11 -40 37 o 37.937  6.9285  189.040    61.428   209.266    107.318  179.185    74.914   38.306  10.980  36.253  8.6390  2.052944       13.97104 
1 1 1 -11 -40 38 o 56.501  3.7359  395.216    50.927   452.327    84.558   362.709    63.795   59.596  5.9261  53.708  4.9511  5.887802       7.722197 
1 1 1 -11 -40 39 o 10.639  4.8475  -16.3000   27.603   -43.7760   56.879   -7.8356    31.570   14.482  6.7276  12.264  5.4145  2.218040       8.635869 
1 1 1 -11 -40 40 o 13.358  5.6441  3.5862     31.450   -59.4264   60.976   26.425     36.709   14.354  6.7630  16.838  6.4394  -2.483693      9.338328 
1 1 1 -11 -40 41 o 50.256  4.1526  314.927    50.183   337.121    87.873   304.185    61.133   50.623  7.3703  49.005  5.2217  1.617531       9.032599 
1 1 1 -11 -40 42 o 46.985  4.2550  276.054    47.983   351.886    84.078   239.428    58.432   51.973  6.8327  43.211  5.7132  8.762196       8.906562 
1 1 1 -11 -40 43 o 42.329  4.4975  225.427    45.485   185.365    80.946   243.914    54.987   36.467  9.1602  43.763  5.2854  -7.296597      10.57568 
1 1 1 -11 -40 44 o 60.568  5.2229  464.555    76.007   538.428    132.408  428.249    92.824   62.881  8.9290  57.311  6.8082  5.570061       11.22851 
1 1 1 -11 -40 45 o 27.748  7.2048  103.883    48.938   181.651    95.331   76.055     57.026   35.476  10.401  24.288  8.1767  11.18794       13.23021 
1 1 1 -11 -40 46 o 22.674  7.2941  66.885     45.568   10.499     92.233   85.093     52.411   21.760  9.4375  25.204  7.7855  -3.444633      12.23435 
1 1 1 -11 -40 47 o 49.793  4.3483  311.777    52.008   270.071    93.785   330.299    62.499   43.834  9.1150  50.920  5.1282  -7.086594      10.45859 
1 1 1 -11 -40 48 o 52.799  4.2358  350.158    53.809   398.476    95.407   327.619    65.161   54.560  7.3976  50.530  5.3982  4.030155       9.157770 
1 1 1 -11 -40 49 o 20.813  6.7071  56.199     38.515   47.940     72.772   59.413     45.394   22.313  8.9087  21.557  7.2950  0.7561722      11.51446 
1 1 1 -11 -40 50 o 29.969  6.2769  120.342    44.181   188.996    82.596   92.825     52.291   36.056  9.3591  25.958  7.7275  10.09789       12.13704 
1 1 1 -11 -40 51 o 19.115  6.8005  43.969     39.683   96.689     74.084   22.757     46.993   26.566  9.3068  17.466  7.0933  9.099361       11.70175 
1 1 1 -11 -40 52 o 34.766  6.0410  160.779    49.109   208.130    89.730   140.530    58.678   37.319  9.7880  31.650  7.7116  5.669044       12.46087 
1 1 1 -11 -40 53 o 15.877  6.7025  10.302     44.285   46.475     97.054   0.7908     49.767   23.619  9.9440  15.868  6.9073  7.751499       12.10758 
1 1 1 -11 -40 54 o 44.794  5.5203  262.524    58.730   261.879    111.207  262.774    69.161   40.613  11.009  44.113  6.6697  -3.499706      12.87195 
1 1 1 -11 -40 55 o 36.279  6.5231  178.607    55.310   176.295    113.625  179.324    63.318   33.037  11.529  35.750  7.5370  -2.713184      13.77367 
1 1 1 -11 -40 56 o 20.879  8.2993  45.125     62.900   52.644     117.721  42.121     74.412   24.989  10.750  21.529  8.8551  3.460558       13.92755 
1 1 1 -11 -40 57 f 32.132  8.9071  153.021    71.856   129.005    124.971  164.883    87.825   29.619  11.722  32.664  10.076  -3.044363      15.45766 
1 1 1 -11 -40 58 f 53.019  5.1553  364.166    65.482   321.424    120.284  382.168    78.063   44.897  11.103  53.662  6.1039  -8.765537      12.67062 
1 1 1 -11 -40 59 o 32.897  6.8936  149.268    53.264   148.993    103.890  149.366    62.038   30.968  11.005  32.311  7.9641  -1.342827      13.58437 
1 1 1 -11 -40 60 o 31.669  7.1682  139.935    53.799   262.730    106.058  97.392     62.426   40.918  10.598  26.136  8.5475  14.78172       13.61516 
1 1 1 -11 -40 61 o 36.158  10.710  208.746    100.638  0.0000     0.0000   208.746    100.638  ?       ?       36.158  10.710  0.000000       10.71043 
1 1 1 -11 -40 62 o 38.943  10.410  240.280    100.255  0.0000     0.0000   240.280    100.255  ?       ?       38.943  10.410  0.000000       10.40976 
1 1 1 -11 -40 63 o 45.195  9.3822  309.473    99.520   281.731    244.822  314.964    108.926  35.655  15.420  44.702  10.260  -9.047165      18.52123 
1 1 1 -11 -39 1  o 24.237  8.9990  70.818     70.516   53.353     82.000   120.405    138.167  23.537  9.4357  30.817  12.284  -7.280800      15.49007 
1 1 1 -11 -39 2  o 35.549  9.0356  178.544    78.104   226.438    91.826   53.252     148.521  39.784  9.6185  27.992  12.058  11.79185       15.42445 
1 1 1 -11 -39 3  o 37.075  9.0158  192.796    80.323   242.105    95.467   73.304     148.615  41.251  9.7008  29.127  12.286  12.12449       15.65423 
1 1 1 -11 -39 4  o 62.982  6.5351  514.036    98.415   574.879    118.573  379.310    176.443  65.965  7.5438  48.508  14.130  17.45661       16.01737 
1 1 1 -11 -39 5  o 27.517  8.9734  101.123    68.821   111.150    79.006   69.579     140.134  28.774  9.6246  28.758  12.018  0.1597977E-01  15.39705 
1 1 1 -11 -39 6  o 22.813  8.6893  54.872     66.672   29.388     76.302   137.150    137.104  21.605  8.9347  32.650  12.455  -11.04538      15.32803 
1 1 1 -11 -39 7  o 30.022  9.1916  122.901    73.238   84.361     82.434   267.301    159.564  26.532  9.7520  41.778  13.666  -15.24663      16.78830 
1 1 1 -11 -39 8  o 49.798  7.3220  325.431    85.830   371.508    99.217   188.401    171.100  52.913  7.9755  36.862  13.949  16.05074       16.06788 
1 1 1 -11 -39 9  o 22.603  8.5543  53.664     64.357   59.462     71.169   27.654     150.745  23.676  8.9871  27.751  12.051  -4.075235      15.03278 
1 1 1 -11 -39 10 o 21.002  8.4404  33.970     65.789   9.4815     73.016   139.622    151.663  19.967  8.5243  33.645  13.031  -13.67820      15.57113 
1 1 1 -11 -39 11 f 29.334  9.0044  115.597    70.233   134.184    78.665   42.575     155.922  31.376  9.5094  28.856  12.391  2.520725       15.61970 
1 1 1 -11 -39 12 o 56.950  7.0205  419.916    94.957   412.395    111.480  439.797    181.254  55.630  8.5311  53.850  13.807  1.780540       16.22978 
1 1 1 -11 -39 13 o 24.158  8.8304  66.722     67.457   68.408     75.853   60.350     147.513  24.892  9.3153  29.247  12.283  -4.355328      15.41620 
1 1 1 -11 -39 14 o 32.681  8.7110  144.956    70.331   162.449    84.947   106.830    125.407  34.340  9.7436  30.690  11.859  3.650076       15.34867 
1 1 1 -11 -39 15 o 90.852  5.9177  1041.96    129.740  1002.12    166.965  1102.69    206.120  87.757  7.9268  90.792  9.4970  -3.034935      12.37038 
1 1 1 -11 -39 16 o 24.615  7.5366  78.613     49.237   121.726    74.561   45.274     65.567   30.150  9.2815  22.045  8.5594  8.105406       12.62574 
1 1 1 -11 -39 17 o 45.666  5.2672  263.203    57.292   328.414    83.837   206.069    78.474   50.366  7.0537  39.153  8.5038  11.21267       11.04852 
1 1 1 -11 -39 18 o 82.094  4.2303  834.248    83.978   779.551    121.701  883.965    116.028  78.317  6.4620  83.820  5.7394  -5.503288      8.642866 
1 1 1 -11 -39 19 o 33.121  6.7275  143.447    52.220   154.670    74.174   132.418    73.532   33.799  8.9158  31.359  9.1179  2.440182       12.75254 
1 1 1 -11 -39 20 o 100.558 4.2549  1248.22    103.816  1202.89    147.657  1292.53    145.993  97.560  6.2708  101.334 5.9639  -3.773788      8.653996 
1 1 1 -11 -39 21 o 149.549 6.4756  2821.89    234.977  2821.89    234.977  0.0000     0.0000   149.549 6.4756  ?       ?       0.000000       6.475554 
1 1 1 -11 -39 22 o 63.834  6.7130  520.268    102.419  520.268    102.419  0.0000     0.0000   63.834  6.7130  ?       ?       0.000000       6.713021 
1 1 1 -11 -39 23 o 52.699  6.4232  354.457    80.434   376.268    91.126   277.532    171.132  54.021  7.1260  43.496  14.149  10.52465       15.84177 
1 1 1 -11 -39 24 f 39.318  5.6853  196.795    52.665   311.192    80.988   112.979    69.323   49.115  6.9933  29.238  8.9411  19.87737       11.35120 
1 1 1 -11 -39 25 o 64.795  4.2593  520.082    66.591   496.472    106.067  535.443    85.554   62.150  7.1647  65.329  5.4469  -3.178310      9.000063 
1 1 1 -11 -39 26 o 43.381  5.0223  236.558    51.888   272.786    87.049   216.591    64.623   45.438  8.1971  40.923  6.7429  4.514614       10.61410 
1 1 1 -11 -39 27 o 49.948  4.6688  311.353    55.927   336.089    92.852   297.269    70.061   50.726  7.7931  48.321  6.1122  2.405338       9.904145 
1 1 1 -11 -39 28 o 59.931  4.4056  445.952    63.616   506.819    102.458  407.766    81.153   62.953  6.8164  56.744  5.9844  6.209248       9.070644 
1 1 1 -11 -39 29 o 145.242 4.4038  2606.39    155.199  2805.23    225.411  2427.16    214.003  149.344 6.2205  138.810 6.3538  10.53429       8.891864 
1 1 1 -11 -39 30 o 89.844  4.0909  995.000    89.181   1052.31    134.067  949.512    119.440  91.346  6.0836  86.958  5.6922  4.387573       8.331307 
1 1 1 -11 -39 31 o 32.244  4.9641  131.911    37.591   123.109    82.782   134.197    42.192   30.504  9.8333  32.355  5.5756  -1.851240      11.30400 
1 1 1 -11 -39 32 o 73.339  4.6014  668.570    81.468   0.0000     0.0000   668.570    81.468   ?       ?       73.339  4.6014  0.000000       4.601417 
1 1 1 -11 -39 33 o 43.587  4.9461  238.898    51.384   0.0000     0.0000   238.898    51.384   ?       ?       43.587  4.9461  0.000000       4.946071 
1 1 1 -11 -39 34 o 36.014  5.6052  165.803    47.388   0.0000     0.0000   165.803    47.388   ?       ?       36.014  5.6052  0.000000       5.605172 
1 1 1 -11 -39 35 o 85.176  5.7177  913.465    117.483  1094.42    196.519  812.825    146.556  90.902  9.0292  79.145  7.7303  11.75694       11.88630 
1 1 1 -11 -39 36 f 19.234  7.2974  36.049     46.907   106.931    88.122   8.0241     55.410   29.035  10.152  17.683  7.4829  11.35132       12.61138 
1 1 1 -11 -39 37 o 17.793  6.9974  25.744     44.270   41.575     79.762   18.696     53.220   23.033  9.2805  18.276  7.4996  4.756641       11.93198 
1 1 1 -11 -39 38 o 51.733  5.9515  340.941    73.346   232.156    122.388  401.907    91.622   40.174  11.787  55.779  6.9181  -15.60534      13.66706 
1 1 1 -11 -39 39 o 37.232  5.0106  175.602    44.117   311.164    100.949  143.598    49.049   47.960  9.0055  33.197  6.3201  14.76260       11.00190 
1 1 1 -11 -39 40 o 26.595  5.7494  92.117     36.020   78.480     65.689   97.981     43.073   25.213  8.7675  27.252  6.5869  -2.039541      10.96614 
1 1 1 -11 -39 41 o 26.200  5.9048  89.744     36.639   96.494     67.638   86.941     43.588   27.184  8.8975  25.642  6.8680  1.542776       11.23988 
1 1 1 -11 -39 42 o 45.682  4.3071  260.761    47.178   230.714    82.625   275.295    57.466   41.276  8.5320  46.662  5.1621  -5.386131      9.972053 
1 1 1 -11 -39 43 o 10.561  4.9194  -26.8692   30.752   -88.0616   59.843   -4.9118    35.847   12.984  6.2720  13.380  5.8424  -0.3967686     8.571575 
1 1 1 -11 -39 44 o 19.597  6.4030  47.786     35.035   2.5836     68.174   64.008     40.840   18.855  8.1456  22.248  6.8725  -3.393610      10.65753 
1 1 1 -11 -39 45 o 25.202  7.2874  84.465     47.088   22.732     92.574   106.011    54.691   22.716  9.6456  28.028  7.7712  -5.312416      12.38664 
1 1 1 -11 -39 46 o 59.270  5.4039  446.047    76.861   405.614    137.615  464.379    92.661   52.977  11.063  59.918  6.4765  -6.941181      12.81904 
1 1 1 -11 -39 47 o 31.597  7.0749  134.068    52.892   38.138     104.118  167.435    61.406   24.478  10.302  35.253  7.4138  -10.77535      12.69250 
1 1 1 -11 -39 48 o 41.451  4.7522  217.927    46.933   202.433    87.492   224.186    55.611   37.689  9.5544  41.691  5.6424  -4.001579      11.09607 
1 1 1 -11 -39 49 o 22.179  6.8751  64.657     40.829   9.3544     76.361   86.798     48.316   20.012  8.6332  25.342  7.3974  -5.330828      11.36896 
1 1 1 -11 -39 50 f 56.048  4.3555  395.151    58.767   365.832    104.371  408.761    71.111   51.352  8.6861  56.570  5.2402  -5.217533      10.14434 
1 1 1 -11 -39 51 o 15.130  6.2703  11.528     37.692   43.395     71.028   -0.9634    44.470   21.792  8.7658  15.062  6.5429  6.730196       10.93837 
1 1 1 -11 -39 52 o 27.957  6.5680  105.887    43.797   113.825    78.509   102.301    52.772   28.396  9.5939  27.162  7.6702  1.233984       12.28308 
1 1 1 -11 -39 53 o 17.813  7.0638  28.109     45.467   62.080     87.605   15.586     53.192   24.233  9.7395  17.575  7.3784  6.658255       12.21876 
1 1 1 -11 -39 54 o 16.855  6.9262  18.867     45.472   126.988    87.290   -21.4021   53.271   29.442  10.114  14.892  6.7656  14.54994       12.16843 
1 1 1 -11 -39 55 o 55.177  4.9464  390.817    65.521   539.416    120.043  327.763    78.195   62.197  8.1505  49.395  6.6970  12.80207       10.54892 
1 1 1 -11 -39 56 o 35.882  8.5016  185.937    72.883   256.227    123.205  148.097    90.397   39.393  11.892  31.184  10.290  8.208416       15.72599 
1 1 1 -11 -39 57 o 28.049  8.8840  114.099    67.798   42.471     116.304  150.968    83.442   24.528  10.618  31.590  9.8344  -7.061501      14.47256 
1 1 1 -11 -39 58 f 60.351  6.8760  491.095    98.892   363.670    163.624  564.430    124.129  44.907  13.737  63.401  8.2656  -18.49363      16.03205 
1 1 1 -11 -39 59 o 29.284  7.4042  120.289    52.642   184.743    102.633  97.278     61.322   34.208  10.941  26.217  8.4645  7.991150       13.83286 
1 1 1 -11 -39 60 o 19.673  7.3772  44.387     47.620   80.696     87.601   29.157     56.734   25.380  9.8828  19.017  7.7664  6.363173       12.56925 
1 1 1 -11 -39 61 o 42.668  9.2078  267.726    92.533   440.958    217.901  229.614    102.206  45.985  15.970  38.277  10.627  7.707661       19.18249 
1 1 1 -11 -39 62 o 71.972  7.2625  707.492    125.093  656.725    274.748  720.768    140.500  52.554  17.946  71.537  8.2453  -18.98247      19.74989 
1 1 1 -11 -39 63 o 53.749  8.4720  415.170    106.830  121.729    255.639  477.258    117.590  31.534  14.511  57.432  8.7116  -25.89807      16.92524 
1 1 1 -11 -38 1  o 38.722  6.3963  196.412    57.999   210.269    89.526   186.389    76.137   38.533  9.6084  36.670  8.6899  1.862720       12.95514 
1 1 1 -11 -38 2  o 45.379  5.5585  263.357    59.924   221.363    88.110   299.498    81.739   39.828  9.2881  47.601  7.3107  -7.773590      11.82017 
1 1 1 -11 -38 3  o 68.929  4.5759  593.999    76.097   667.672    111.148  528.997    104.404  72.095  6.4210  63.876  6.8427  8.218491       9.383578 
1 1 1 -11 -38 4  o 54.723  4.9444  376.781    64.943   310.502    94.398   436.339    89.484   48.047  8.4031  58.229  6.4414  -10.18110      10.58790 
1 1 1 -11 -38 5  o 58.799  4.8010  433.327    67.898   396.273    98.598   466.748    93.639   54.920  7.6030  60.259  6.5077  -5.339111      10.00772 
1 1 1 -11 -38 6  o 58.226  4.7004  424.091    65.842   447.571    95.672   402.964    90.751   58.879  6.8232  55.825  6.8429  3.053841       9.663402 
1 1 1 -11 -38 7  o 72.325  4.4303  650.587    77.373   687.789    111.886  616.491    107.113  73.450  6.3401  69.467  6.4277  3.983070       9.028391 
1 1 1 -11 -38 8  o 30.682  6.9611  124.484    50.635   162.602    72.538   88.261     70.713   34.596  8.6611  26.492  9.1031  8.103699       12.56510 
1 1 1 -11 -38 9  o 24.974  7.1112  81.926     45.166   119.100    65.691   48.597     62.201   29.772  8.6070  22.020  8.3915  7.751625       12.02068 
1 1 1 -11 -38 10 o 52.607  6.9740  357.782    86.826   415.463    101.068  195.281    169.638  56.456  7.5686  37.790  13.972  18.66529       15.89051 
1 1 1 -11 -38 11 o 74.182  6.2763  698.654    111.912  718.297    135.558  656.613    198.317  74.467  7.6093  67.719  12.531  6.748398       14.66038 
1 1 1 -11 -38 12 o 101.278 6.0811  1294.23    148.746  1211.38    186.881  1437.44    245.710  96.595  8.0467  103.590 9.8959  -6.995049      12.75454 
1 1 1 -11 -38 13 o 33.938  8.6161  155.248    71.077   153.988    85.150   158.144    129.079  33.621  9.8221  34.606  12.270  -0.9852562     15.71710 
1 1 1 -11 -38 14 o 70.767  6.0662  632.812    103.154  726.677    130.627  477.297    168.138  75.251  7.2436  57.884  12.348  17.36668       14.31581 
1 1 1 -11 -38 15 o 24.828  8.4524  75.699     60.943   78.836     72.899   68.416     111.061  25.835  9.2144  27.590  11.009  -1.755533      14.35618 
1 1 1 -11 -38 16 o 71.395  6.0898  643.234    104.487  653.316    132.656  626.756    169.587  71.090  7.8199  67.921  10.640  3.168747       13.20421 
1 1 1 -11 -38 17 o 78.038  5.9371  765.783    111.576  611.367    141.384  1020.73    181.669  68.286  8.7332  88.571  8.5600  -20.28519      12.22871 
1 1 1 -11 -38 18 o 20.627  8.2622  31.009     62.813   21.034     76.484   51.675     110.092  21.377  8.9014  26.546  10.827  -5.168690      14.01667 
1 1 1 -11 -38 19 o 42.838  6.3574  234.687    64.075   98.070     96.777   341.315    85.498   28.979  10.579  51.562  7.0160  -22.58296      12.69423 
1 1 1 -11 -38 20 o 13.884  6.5776  -66.1819   59.166   -66.1819   59.166   0.0000     0.0000   13.884  6.5776  ?       ?       0.000000       6.577619 
1 1 1 -11 -38 21 o 51.282  7.1594  338.034    86.656   338.034    86.656   0.0000     0.0000   51.282  7.1594  ?       ?       0.000000       7.159377 
1 1 1 -11 -38 22 o 40.457  7.4587  213.289    70.522   190.252    78.880   305.032    157.415  37.739  8.7795  46.121  13.321  -8.381245      15.95374 
1 1 1 -11 -38 23 o 21.873  7.1220  58.952     43.358   62.180     67.459   56.679     56.597   23.965  8.8198  22.542  8.1106  1.422791       11.98215 
1 1 1 -11 -38 24 o 59.679  4.3111  440.755    62.007   480.322    97.991   414.331    80.079   61.504  6.6734  57.385  5.8322  4.118332       8.862759 
1 1 1 -11 -38 25 o 58.765  4.3694  427.650    61.857   468.787    98.129   400.526    79.681   60.712  6.7769  56.386  5.9120  4.326748       8.993188 
1 1 1 -11 -38 26 o 17.242  6.5021  28.162     37.097   33.989     73.076   26.139     43.057   22.026  8.8802  17.787  6.9279  4.239773       11.26294 
1 1 1 -11 -38 27 o 32.090  5.9381  132.275    44.534   126.155    80.602   134.964    53.430   30.980  9.6689  32.130  7.0473  -1.150009      11.96465 
1 1 1 -11 -38 28 o 50.665  4.5653  319.184    55.521   281.496    91.224   341.358    69.973   46.225  8.4445  52.092  5.6253  -5.867477      10.14662 
1 1 1 -11 -38 29 o 22.937  6.7265  67.570     39.867   5.4367     77.859   89.649     46.412   20.507  8.7798  26.196  7.1169  -5.689602      11.30198 
1 1 1 -11 -38 30 o 41.896  4.3880  218.640    43.945   309.106    89.694   190.066    50.409   48.704  7.8573  38.728  5.5206  9.975502       9.602862 
1 1 1 -11 -38 31 o 11.422  5.1314  -13.2245   29.652   0.0000     0.0000   -13.2245   29.652   ?       ?       11.422  5.1314  0.000000       5.131360 
1 1 1 -11 -38 32 o 74.433  4.6053  687.087    82.767   0.0000     0.0000   687.087    82.767   ?       ?       74.433  4.6053  0.000000       4.605341 
1 1 1 -11 -38 33 f 67.407  4.5891  564.055    74.612   0.0000     0.0000   564.055    74.612   ?       ?       67.407  4.5891  0.000000       4.589097 
1 1 1 -11 -38 34 o 16.866  6.2512  28.586     33.997   214.674    118.269  11.824     35.495   39.162  11.613  15.047  6.1439  24.11439       13.13828 
1 1 1 -11 -38 35 o 67.213  3.6248  556.337    58.897   497.136    94.492   593.949    75.318   62.581  6.3090  69.177  4.5119  -6.595932      7.756310 
1 1 1 -11 -38 36 o 34.426  4.5580  149.012    37.137   231.968    63.355   105.588    45.838   42.511  6.3357  28.351  6.7588  14.15978       9.264057 
1 1 1 -11 -38 37 o 89.802  5.4794  1010.40    118.823  914.952    184.056  1078.60    155.590  83.031  9.2952  91.870  7.0333  -8.838593      11.65626 
1 1 1 -11 -38 38 o 66.248  5.5210  552.014    87.940   600.456    140.291  520.659    112.866  67.375  8.7911  63.406  7.4802  3.969856       11.54282 
1 1 1 -11 -38 39 o 36.775  6.9070  176.827    59.369   242.144    100.706  142.035    73.498   41.841  10.046  32.373  9.0206  9.467838       13.50193 
1 1 1 -11 -38 40 o 31.400  5.6034  126.836    41.126   53.165     95.049   143.805    45.617   25.214  10.141  33.409  5.8399  -8.194433      11.70231 
1 1 1 -11 -38 41 o 29.103  5.6119  109.415    38.193   195.107    72.671   76.713     44.893   38.190  8.0938  24.248  7.1456  13.94267       10.79672 
1 1 1 -11 -38 42 o 64.849  3.8715  520.134    60.640   496.882    101.837  532.907    75.481   62.127  6.8705  65.314  4.7963  -3.187195      8.379065 
1 1 1 -11 -38 43 o 53.928  4.0936  361.261    53.166   368.067    92.057   357.854    65.125   53.124  7.3375  53.334  5.0944  -0.2101135     8.932620 
1 1 1 -11 -38 44 o 62.594  3.9898  485.745    60.282   670.484    103.630  391.262    74.111   72.698  5.9264  55.574  5.5710  17.12412       8.133833 
1 1 1 -11 -38 45 o 52.386  5.5221  348.182    69.133   400.242    125.055  325.270    82.964   53.805  9.9452  49.947  7.0410  3.858299       12.18537 
1 1 1 -11 -38 46 o 53.207  5.5163  359.545    70.181   467.569    128.059  313.171    83.904   58.554  9.3263  48.810  7.3093  9.743229       11.84931 
1 1 1 -11 -38 47 o 50.017  5.7392  319.826    68.391   215.463    126.378  363.047    81.329   38.199  12.133  52.981  6.4602  -14.78175      13.74526 
1 1 1 -11 -38 48 o 40.419  5.0139  207.688    48.117   250.678    84.574   187.112    58.510   42.872  8.4306  37.705  6.6378  5.166725       10.73010 
1 1 1 -11 -38 49 o 35.853  5.4240  165.624    45.711   145.199    78.388   176.148    56.268   32.124  9.4354  36.523  6.5919  -4.399502      11.50995 
1 1 1 -11 -38 50 o 55.023  4.3432  379.873    57.514   337.391    97.703   402.400    71.148   49.678  8.4053  56.207  5.2787  -6.529194      9.925434 
1 1 1 -11 -38 51 o 29.168  6.2741  113.313    43.086   191.665    76.080   76.318     52.278   36.983  8.6349  24.024  7.8202  12.95963       11.64981 
1 1 1 -11 -38 52 o 61.453  4.2413  474.059    62.855   457.076    105.996  483.269    78.061   58.199  7.6947  61.492  5.2831  -3.292957      9.333815 
1 1 1 -11 -38 53 o 14.137  6.0981  0.6220     38.092   80.887     69.796   -33.4281   45.460   25.011  9.0061  12.965  6.0200  12.04571       10.83280 
1 1 1 -11 -38 54 o 17.590  7.0122  26.242     45.022   -42.5838   82.250   55.685     53.796   17.685  8.1712  21.512  7.8823  -3.826687      11.35343 
1 1 1 -11 -38 55 o 42.157  5.6955  232.542    56.768   302.914    105.160  203.602    67.438   45.265  9.8542  38.415  7.5042  6.850590       12.38620 
1 1 1 -11 -38 56 o 25.343  7.6388  89.168     50.863   139.020    95.119   69.206     60.191   30.515  10.554  23.199  8.3623  7.316658       13.46512 
1 1 1 -11 -38 57 o 21.562  8.2986  52.450     61.212   60.204     106.760  48.652     74.712   25.084  10.487  22.223  8.9722  2.861353       13.80132 
1 1 1 -11 -38 58 o 27.811  8.8799  111.029    67.631   69.234     117.044  131.977    82.864   26.142  10.959  29.859  9.8518  -3.716560      14.73599 
1 1 1 -11 -38 59 o 50.740  5.3530  333.670    64.910   209.388    122.735  381.929    76.481   35.816  11.996  53.932  5.9432  -18.11582      13.38749 
1 1 1 -11 -38 60 o 31.958  7.2030  141.297    54.517   285.433    102.394  84.272     64.405   43.754  9.8786  24.928  8.6807  18.82618       13.15071 
1 1 1 -11 -38 61 f 18.318  7.1346  33.268     45.664   78.355     92.211   18.618     52.561   25.514  10.078  17.692  7.3740  7.822187       12.48774 
1 1 1 -11 -38 62 o 47.447  9.1818  327.786    101.886  760.889    244.528  236.799    112.078  62.987  15.976  38.431  11.281  24.55681       19.55693 
1 1 1 -11 -38 63 o 34.804  10.228  188.154    92.096   -27.8829   238.143  226.145    99.866   27.908  13.214  37.990  10.489  -10.08219      16.87088 
1 1 1 -11 -38 64 o 26.861  10.017  103.294    87.558   352.948    236.042  63.461     94.285   39.480  15.945  24.162  9.9562  15.31846       18.79796 
1 1 1 -11 -37 1  o 33.762  5.7942  147.439    45.758   101.941    65.402   191.064    64.041   27.654  8.7221  37.979  7.2132  -10.32570      11.31832 
1 1 1 -11 -37 2  o 55.889  5.5396  395.781    74.133   410.896    90.389   364.723    129.571  56.399  6.7385  50.767  10.848  5.632374       12.77052 
1 1 1 -11 -37 3  o 54.676  4.7630  374.417    62.558   318.709    87.883   431.639    89.069   49.233  7.6015  58.020  6.4352  -8.786854      9.959670 
1 1 1 -11 -37 4  o 63.083  4.4681  495.467    67.949   485.566    96.055   505.384    96.132   61.569  6.5294  62.894  6.3880  -1.324913      9.134516 
1 1 1 -11 -37 5  o 40.045  5.2954  203.393    50.191   202.206    67.868   204.826    74.565   39.163  7.4136  39.142  8.1173  0.2049255E-01  10.99323 
1 1 1 -11 -37 6  o 96.086  4.1977  1140.31    97.866   1138.12    142.807  1142.25    134.384  94.801  6.2433  95.219  5.8447  -0.4182510     8.552153 
1 1 1 -11 -37 7  o 65.441  4.5410  532.688    71.660   598.043    103.683  472.918    99.153   68.603  6.2991  60.691  6.8532  7.912121       9.308280 
1 1 1 -11 -37 8  o 70.649  4.4349  619.508    75.639   576.916    109.957  657.769    104.214  67.133  6.8461  72.143  6.0081  -5.010117      9.108589 
1 1 1 -11 -37 9  o 46.308  5.2129  269.992    57.555   309.475    82.757   233.004    80.098   48.870  7.1944  41.898  8.1723  6.971512       10.88786 
1 1 1 -11 -37 10 o 44.188  5.4069  246.617    56.763   235.872    80.093   257.461    80.459   42.219  8.1134  44.295  7.7695  -2.075974      11.23353 
1 1 1 -11 -37 11 o 56.410  4.8246  396.839    65.402   363.027    92.690   430.363    92.295   52.970  7.4149  58.071  6.6713  -5.101295      9.974347 
1 1 1 -11 -37 12 o 39.243  5.8530  196.222    54.028   165.955    76.415   226.479    76.400   35.122  8.9429  41.504  7.8745  -6.381912      11.91566 
1 1 1 -11 -37 13 o 22.413  7.2120  62.608     44.546   89.081     63.897   37.576     62.134   26.520  8.6463  21.144  8.2979  5.376026       11.98389 
1 1 1 -11 -37 14 o 41.300  12.173  238.670    130.280  0.0000     0.0000   238.670    130.280  ?       ?       41.300  12.173  0.000000       12.17335 
1 1 1 -11 -37 15 o 57.934  11.164  458.698    151.246  0.0000     0.0000   458.698    151.246  ?       ?       57.934  11.164  0.000000       11.16421 
1 1 1 -11 -37 16 o 127.177 5.9904  2016.88    184.853  2028.42    245.743  2001.84    280.543  125.929 8.0852  123.995 9.3944  1.933998       12.39458 
1 1 1 -11 -37 17 o 40.260  7.9694  212.378    75.096   137.784    91.286   368.537    132.081  32.425  10.313  52.080  10.806  -19.65516      14.93739 
1 1 1 -11 -37 18 o 83.027  6.0917  863.422    121.864  820.692    152.583  938.694    202.512  80.057  7.9605  84.385  10.091  -4.328308      12.85276 
1 1 1 -11 -37 19 o 76.026  7.8205  738.815    142.207  738.815    142.207  0.0000     0.0000   76.026  7.8205  ?       ?       0.000000       7.820462 
1 1 1 -11 -37 20 o 63.371  8.0548  516.557    121.055  516.557    121.055  0.0000     0.0000   63.371  8.0548  ?       ?       0.000000       8.054812 
1 1 1 -11 -37 21 f 72.215  6.3227  654.938    109.671  596.080    135.295  767.720    187.284  68.007  8.3762  76.170  10.406  -8.162971      13.35802 
1 1 1 -11 -37 22 o 16.565  6.6318  17.906     40.446   -17.6590   62.924   42.946     52.799   17.133  7.5999  20.798  7.7741  -3.665213      10.87174 
1 1 1 -11 -37 23 o 31.624  5.9313  128.049    43.841   173.589    80.616   108.925    52.241   36.114  9.1801  28.880  7.4164  7.233137       11.80162 
1 1 1 -11 -37 24 o 12.985  5.4892  2.2275     29.769   -111.9802  65.053   32.478     33.480   13.095  6.3760  17.413  6.2410  -4.317985      8.922019 
1 1 1 -11 -37 25 o 40.900  5.1299  209.666    49.789   259.882    83.827   182.295    61.889   44.706  8.0226  37.568  7.0482  7.137337       10.67888 
1 1 1 -11 -37 26 o 17.948  6.3223  35.684     34.216   -127.9535  67.637   91.965     39.666   12.977  6.3576  26.660  6.2420  -13.68263      8.909684 
1 1 1 -11 -37 27 o 70.178  4.1151  606.565    69.765   602.904    109.381  609.075    90.582   69.164  6.5977  69.957  5.3776  -0.7922821     8.511662 
1 1 1 -11 -37 28 o 71.076  4.1282  622.302    70.889   629.523    111.159  617.351    92.032   70.692  6.5551  70.407  5.4291  0.2846527      8.511408 
1 1 1 -11 -37 29 o 68.196  3.7793  571.717    62.293   707.011    109.804  507.509    75.644   75.122  6.0761  63.946  4.9128  11.17548       7.813698 
1 1 1 -11 -37 30 o 80.554  4.6210  802.066    89.944   0.0000     0.0000   802.066    89.944   ?       ?       80.554  4.6210  0.000000       4.621049 
1 1 1 -11 -37 31 o 31.265  5.7531  125.101    42.036   0.0000     0.0000   125.101    42.036   ?       ?       31.265  5.7531  0.000000       5.753114 
1 1 1 -11 -37 32 o 122.005 5.1563  1842.79    152.644  0.0000     0.0000   1842.79    152.644  ?       ?       122.005 5.1563  0.000000       5.156303 
1 1 1 -11 -37 33 o 62.465  3.8381  480.621    57.892   538.393    105.603  455.799    69.220   65.132  6.7816  60.582  4.7469  4.550114       8.277872 
1 1 1 -11 -37 34 o 36.457  4.3848  165.998    38.010   204.350    62.842   143.873    47.731   39.822  6.7444  33.455  6.1049  6.366890       9.097092 
1 1 1 -11 -37 35 o 14.820  5.6232  19.911     27.855   -5.9752    52.401   30.107     32.887   16.257  7.0821  16.962  6.1709  -0.7043705     9.393386 
1 1 1 -11 -37 36 o 37.858  4.3326  178.866    39.082   155.654    65.469   191.719    48.715   34.247  8.0197  38.957  5.2905  -4.709408      9.607528 
1 1 1 -11 -37 37 o 59.017  3.7013  429.302    52.733   462.330    87.316   410.339    66.162   60.495  6.0288  57.388  4.7954  3.107388       7.703416 
1 1 1 -11 -37 38 o 38.020  6.6816  187.190    59.390   186.304    99.191   187.686    74.151   36.791  10.559  37.497  8.3628  -0.7067757     13.46951 
1 1 1 -11 -37 39 o 43.875  6.2706  246.405    64.858   235.251    107.811  252.730    81.193   41.130  10.701  43.804  7.9310  -2.674274      13.31943 
1 1 1 -11 -37 40 o 63.602  5.6578  509.380    86.402   564.531    141.175  476.350    109.253  65.155  9.1847  60.618  7.5946  4.536526       11.91793 
1 1 1 -11 -37 41 o 63.703  3.7821  500.885    58.198   453.668    97.425   527.081    72.568   59.452  6.8809  65.083  4.6254  -5.630932      8.291040 
1 1 1 -11 -37 42 f 84.316  3.7641  874.651    77.009   877.295    125.237  873.043    97.653   83.229  6.2470  83.736  4.8267  -0.5067444     7.894475 
1 1 1 -11 -37 43 o 45.289  4.3737  255.885    47.464   293.007    83.939   238.436    57.549   47.300  7.5690  43.321  5.6063  3.978542       9.419160 
1 1 1 -11 -37 44 f 59.068  4.0548  432.465    57.763   376.507    98.614   461.691    71.269   53.575  7.8161  60.759  4.8753  -7.183983      9.211944 
1 1 1 -11 -37 45 o 49.450  4.2847  304.657    50.902   341.513    90.655   287.688    61.514   51.068  7.5432  47.672  5.4140  3.395702       9.285000 
1 1 1 -11 -37 46 o 54.195  5.5624  372.092    72.108   294.568    130.479  406.179    86.520   45.054  11.797  56.248  6.4563  -11.19441      13.44783 
1 1 1 -11 -37 47 o 20.315  7.6889  41.844     51.995   -18.8823   94.305   68.366     62.324   20.701  9.2360  23.914  8.5210  -3.213060      12.56625 
1 1 1 -11 -37 48 o 29.927  7.9836  121.272    59.043   22.327     106.591  165.070    70.916   24.010  10.276  34.742  8.4855  -10.73243      13.32678 
1 1 1 -11 -37 49 o 67.885  4.1150  573.360    67.460   506.420    111.791  611.697    84.600   61.967  7.5939  69.701  5.0361  -7.733826      9.112105 
1 1 1 -11 -37 50 o 38.011  5.3017  185.137    47.567   146.105    82.777   204.381    58.121   32.227  9.7519  39.582  6.2598  -7.355076      11.58818 
1 1 1 -11 -37 51 o 42.982  4.9227  234.747    50.413   306.054    87.777   199.648    61.584   47.650  7.8665  38.820  6.7850  8.829998       10.38836 
1 1 1 -11 -37 52 o 21.886  6.9471  62.432     41.440   -8.8680    74.138   94.832     49.977   18.657  8.2641  26.419  7.4657  -7.761442      11.13700 
1 1 1 -11 -37 53 o 21.603  6.6173  61.456     37.954   68.641     71.434   58.629     44.800   24.069  9.0335  21.468  7.2473  2.600916       11.58132 
1 1 1 -11 -37 54 o 40.682  10.559  247.802    105.142  298.603    145.379  192.089    152.245  42.764  12.920  35.121  13.187  7.643112       18.46111 
1 1 1 -11 -37 55 o 43.367  5.5210  244.007    56.778   188.850    102.663  268.310    68.148   35.176  10.901  45.015  6.4213  -9.838615      12.65203 
1 1 1 -11 -37 56 o 60.703  4.6712  467.991    68.274   529.722    120.816  439.027    82.755   61.856  8.2558  57.979  5.9677  3.876930       10.18684 
1 1 1 -11 -37 57 o 13.175  6.2178  -49.1430   51.946   -62.7031   91.759   -42.7476   63.016   17.866  8.3793  15.171  7.0586  2.695256       10.95607 
1 1 1 -11 -37 58 o 24.474  8.6392  79.616     63.922   244.103    111.405  -1.1186    78.049   39.446  11.146  19.254  8.5062  20.19190       14.02130 
1 1 1 -11 -37 59 o 37.773  6.7652  192.870    59.727   467.929    129.690  118.826    67.288   56.580  9.8018  28.777  8.8103  27.80226       13.17940 
1 1 1 -11 -37 60 o 13.007  6.0458  -33.7101   46.043   -53.4180   86.860   -26.0086   54.299   17.696  8.2515  14.794  6.7632  2.902322       10.66902 
1 1 1 -11 -37 61 o 21.096  7.7268  53.625     51.687   102.303    101.054  36.379     60.150   27.767  10.669  20.087  8.0713  7.680296       13.37773 
1 1 1 -11 -37 62 o 55.993  8.2907  437.832    109.235  352.316    254.492  457.146    120.943  41.022  16.560  56.475  9.1381  -15.45280      18.91415 
1 1 1 -11 -37 63 o 18.795  8.4038  -8.7682    78.535   -506.0482  223.407  61.349     83.889   19.830  9.9943  23.763  9.5378  -3.932840      13.81500 
1 1 1 -11 -37 64 o 18.658  8.5395  -27.1151   86.914   129.925    226.280  -54.2935   94.135   31.778  14.233  18.250  8.5364  13.52804       16.59669 
1 1 1 -11 -36 1  o 65.104  4.2900  526.472    67.390   552.750    99.630   504.309    91.496   65.848  6.3131  62.992  6.0610  2.855259       8.751650 
1 1 1 -11 -36 2  o 25.505  6.4085  85.352     39.610   98.597     55.486   71.588     56.565   27.285  7.9166  24.045  8.1433  3.240107       11.35719 
1 1 1 -11 -36 3  o 38.450  5.2289  187.333    47.517   216.045    68.600   160.851    65.882   40.632  7.2228  34.690  7.9915  5.941166       10.77188 
1 1 1 -11 -36 4  f 24.032  6.5586  75.415     39.312   89.337     55.187   61.073     56.013   26.164  7.9727  22.861  8.0852  3.303129       11.35497 
1 1 1 -11 -36 5  o 48.329  4.6024  291.551    53.319   302.566    77.546   281.674    73.430   48.481  6.7773  46.798  6.6541  1.682858       9.497850 
1 1 1 -11 -36 6  o 32.591  5.8595  136.647    44.633   116.314    62.828   157.364    63.418   29.569  8.3759  34.438  7.7738  -4.868582      11.42747 
1 1 1 -11 -36 7  o 101.962 4.6003  1285.41    113.812  1294.50    146.963  1271.78    179.893  101.501 5.9938  99.648  7.4950  1.853218       9.596944 
1 1 1 -11 -36 8  o 41.601  4.9366  217.228    48.858   175.565    71.178   254.349    67.187   36.317  8.2634  44.596  6.3918  -8.279247      10.44697 
1 1 1 -11 -36 9  f 74.603  4.0667  686.575    73.336   655.484    105.968  715.154    101.596  72.144  6.1110  75.603  5.5777  -3.458603      8.273710 
1 1 1 -11 -36 10 o 81.347  4.2076  816.426    82.765   748.131    115.299  889.027    118.878  77.101  6.2160  84.254  5.8512  -7.153114      8.536676 
1 1 1 -11 -36 11 o 43.396  5.3762  236.922    55.399   300.849    77.436   169.902    79.287   48.525  6.7605  35.618  9.1314  12.90686       11.36162 
1 1 1 -11 -36 12 o 23.156  7.2893  67.316     45.700   80.406     67.189   56.046     62.342   25.834  8.8736  22.997  8.4764  2.836998       12.27154 
1 1 1 -11 -36 13 o 76.246  4.1637  716.172    76.738   646.695    111.275  779.178    105.967  71.668  6.4686  79.079  5.5579  -7.411293      8.528395 
1 1 1 -11 -36 14 o 54.498  4.6511  368.299    60.915   378.561    88.433   359.034    84.030   54.598  6.8244  53.210  6.6539  1.388088       9.531359 
1 1 1 -11 -36 15 o 89.954  4.0540  992.588    88.486   928.510    127.989  1051.26    122.470  86.183  6.1611  91.993  5.5121  -5.810059      8.266946 
1 1 1 -11 -36 16 o 82.896  4.0820  842.767    82.106   786.409    118.784  894.329    113.618  79.287  6.2244  84.837  5.5501  -5.549927      8.339458 
1 1 1 -11 -36 17 f 111.400 5.8320  1542.04    157.092  1520.75    207.251  1570.79    240.836  109.589 7.8460  110.632 9.0510  -1.043053      11.97834 
1 1 1 -11 -36 18 o 22.095  9.0147  28.139     76.345   28.139     76.345   0.0000     0.0000   22.095  9.0147  ?       ?       0.000000       9.014730 
1 1 1 -11 -36 19 o 89.030  7.6872  1002.58    164.431  1002.58    164.431  0.0000     0.0000   89.030  7.6872  ?       ?       0.000000       7.687157 
1 1 1 -11 -36 20 o 60.706  6.9496  465.348    100.521  397.545    121.585  611.794    178.686  55.149  9.4246  67.798  11.257  -12.64862      14.68131 
1 1 1 -11 -36 21 o 106.586 5.7091  1408.43    147.113  1479.80    200.555  1325.29    216.450  108.338 7.6791  101.873 8.8443  6.464867       11.71287 
1 1 1 -11 -36 22 o 43.983  7.2590  247.634    74.766   242.041    106.991  252.972    104.522  42.539  10.443  43.595  10.082  -1.056305      14.51560 
1 1 1 -11 -36 23 o 50.043  7.0453  318.073    83.179   405.351    120.071  237.543    115.337  55.831  9.1828  42.008  11.135  13.82263       14.43331 
1 1 1 -11 -36 24 o 55.331  4.3857  377.827    58.398   473.625    93.693   316.965    74.679   61.456  6.3759  50.184  6.2697  11.27215       8.942115 
1 1 1 -11 -36 25 o 43.559  4.8161  236.009    50.051   249.069    85.021   229.083    61.916   43.792  8.3053  42.574  6.1739  1.218193       10.34868 
1 1 1 -11 -36 26 o 106.774 4.0161  1396.21    104.048  1574.17    154.526  1248.61    140.731  112.861 5.6428  100.304 5.8072  12.55708       8.097201 
1 1 1 -11 -36 27 o 52.454  4.6022  340.480    57.983   449.054    94.352   274.595    73.499   59.730  6.6216  46.521  6.7050  13.20945       9.423511 
1 1 1 -11 -36 28 o 89.356  3.6737  976.585    79.652   1065.55    130.328  923.544    100.634  92.600  5.8302  86.518  4.8128  6.081818       7.560071 
1 1 1 -11 -36 29 o 27.278  6.3840  96.113     41.506   0.0000     0.0000   96.113     41.506   ?       ?       27.278  6.3840  0.000000       6.384012 
1 1 1 -11 -36 30 o 104.059 4.8710  1333.37    122.988  0.0000     0.0000   1333.37    122.988  ?       ?       104.059 4.8710  0.000000       4.871035 
1 1 1 -11 -36 31 o 75.362  4.5629  700.798    83.044   0.0000     0.0000   700.798    83.044   ?       ?       75.362  4.5629  0.000000       4.562902 
1 1 1 -11 -36 32 o 92.271  3.6981  1042.37    82.795   1117.97    135.302  997.115    104.683  94.720  5.9167  89.839  4.8199  4.881187       7.631389 
1 1 1 -11 -36 33 o 48.207  3.8506  286.582    44.665   446.818    75.354   199.798    55.456   59.907  5.2367  39.696  5.9401  20.21069       7.918806 
1 1 1 -11 -36 34 o 64.252  3.6229  507.106    56.251   510.307    90.411   505.084    71.852   63.813  5.9061  63.864  4.6691  -0.5171585E-01 7.528824 
1 1 1 -11 -36 35 o 22.314  5.7790  64.193     31.539   92.660     57.158   51.733     37.817   26.811  8.1014  20.554  6.6483  6.257460       10.48013 
1 1 1 -11 -36 36 o 37.721  4.3329  177.304    38.937   153.260    67.182   189.465    47.780   34.024  8.2279  38.792  5.2078  -4.767761      9.737585 
1 1 1 -11 -36 37 o 76.113  3.6172  710.168    66.802   628.565    107.323  761.779    85.352   70.602  6.3321  78.486  4.5007  -7.883301      7.768647 
1 1 1 -11 -36 38 o 71.513  3.6485  628.845    63.098   608.604    102.442  641.219    80.094   69.508  6.1371  71.930  4.6134  -2.422073      7.677768 
1 1 1 -11 -36 39 o 30.471  7.3353  122.249    53.581   73.628     92.085   147.137    65.882   26.731  10.205  33.251  8.2139  -6.520220      13.09970 
1 1 1 -11 -36 40 o 96.899  5.5724  1173.87    130.464  1049.79    200.077  1265.65    172.079  89.244  9.3800  99.684  7.1622  -10.43920      11.80170 
1 1 1 -11 -36 41 o 29.929  7.5144  118.492    54.489   130.851    94.289   112.295    66.767   31.603  10.513  29.153  8.7440  2.449955       13.67407 
1 1 1 -11 -36 42 o 41.595  4.3518  215.790    43.271   253.746    74.850   196.737    53.031   44.180  7.2326  39.302  5.7296  4.878654       9.227063 
1 1 1 -11 -36 43 o 24.625  6.1798  79.118     36.866   108.487    67.673   66.724     43.963   28.695  8.8439  22.891  7.1402  5.803770       11.36651 
1 1 1 -11 -36 44 o 40.840  4.5352  208.755    44.182   227.751    76.527   199.257    54.111   41.510  7.8863  39.503  5.8198  2.007294       9.801198 
1 1 1 -11 -36 45 o 13.941  5.7606  8.1084     31.682   22.458     57.399   1.8215     37.993   19.168  7.8181  14.442  6.1570  4.725414       9.951427 
1 1 1 -11 -36 46 o 70.896  4.6471  625.893    79.498   648.760    108.260  599.130    117.116  71.425  6.3117  68.158  7.1902  3.267235       9.567468 
1 1 1 -11 -36 47 o 54.030  6.0188  371.930    77.565   315.430    127.860  404.831    97.569   47.025  11.338  55.748  7.3956  -8.722893      13.53674 
1 1 1 -11 -36 48 o 16.821  7.0076  11.664     47.433   149.952    81.334   -59.6125   58.391   32.995  9.5882  13.964  6.5908  19.03130       11.63494 
1 1 1 -11 -36 49 o 88.743  5.5640  994.173    119.202  926.819    200.992  1030.72    148.049  81.934  10.340  89.465  6.8726  -7.531090      12.41586 
1 1 1 -11 -36 50 o 25.355  6.7654  85.407     42.394   38.382     73.911   108.464    51.754   22.052  8.9166  28.402  7.4261  -6.350084      11.60397 
1 1 1 -11 -36 51 o 20.384  6.8634  51.371     40.180   85.995     71.361   35.300     48.618   26.007  9.1329  19.181  7.3920  6.825932       11.74951 
1 1 1 -11 -36 52 o 19.120  6.5953  44.038     37.135   133.382    72.577   12.351     43.222   30.920  9.0780  16.149  6.7053  14.77136       11.28585 
1 1 1 -11 -36 53 o 24.739  6.6543  81.988     40.815   -17.0598   73.968   125.347    48.940   18.188  8.1424  30.565  6.7766  -12.37750      10.59348 
1 1 1 -11 -36 54 o 13.138  5.7978  -7.2686    36.161   -119.5989  70.162   33.364     42.198   13.325  6.5170  18.160  6.9138  -4.834411      9.501151 
1 1 1 -11 -36 55 o 30.836  7.1160  129.579    52.160   117.843    93.779   134.836    62.765   29.177  10.446  31.031  8.2092  -1.854176      13.28596 
1 1 1 -11 -36 56 o 57.558  4.8476  421.402    67.070   439.938    122.171  413.405    80.244   55.551  9.3990  56.355  5.9588  -0.8032455     11.12875 
1 1 1 -11 -36 57 o 22.610  7.5456  67.280     48.559   -70.4602   89.416   124.895    57.830   17.372  8.1863  29.868  7.8696  -12.49558      11.35545 
1 1 1 -11 -36 58 o 12.686  6.0542  -60.0021   51.985   -65.7527   96.901   -57.6783   61.599   18.352  8.6084  14.290  6.7523  4.062292       10.94069 
1 1 1 -11 -36 59 o 13.931  6.5203  -44.3930   55.079   -20.7608   105.549  -53.2365   64.568   21.030  9.5422  14.917  7.0068  6.112856       11.83844 
1 1 1 -11 -36 60 o 21.452  7.7747  56.162     52.131   20.775     109.034  66.649     59.354   23.302  10.182  22.999  8.3019  0.3029289      13.13714 
1 1 1 -11 -36 61 o 13.552  6.2455  -29.3155   47.588   -11.7130   105.438  -33.8186   53.329   21.454  9.6540  14.228  6.5758  7.226846       11.68075 
1 1 1 -11 -36 62 o 36.712  10.239  203.140    94.654   256.011    237.240  193.131    103.226  37.777  15.699  35.410  10.924  2.366936       19.12608 
1 1 1 -11 -36 63 o 38.262  10.258  222.079    97.178   548.914    244.437  160.725    105.908  51.444  16.918  32.385  11.140  19.05922       20.25626 
1 1 1 -11 -36 64 o 22.757  9.4170  46.467     84.835   -60.9987   232.582  62.959     91.112   27.282  12.959  24.299  9.8735  2.983662       16.29163 
1 1 1 -11 -35 1  o 37.296  6.9122  181.392    60.248   306.173    179.638  165.577    63.952   45.250  14.475  35.342  7.6772  9.908215       16.38466 
1 1 1 -11 -35 2  o 19.372  7.3283  36.503     47.218   -134.6136  153.941  54.274     49.609   22.604  10.679  21.634  7.6136  0.9701920      13.11523 
1 1 1 -11 -35 3  f 48.284  5.7820  295.220    66.392   218.574    176.837  307.796    71.632   39.794  14.335  49.188  6.1352  -9.394581      15.59239 
1 1 1 -11 -35 4  o 31.541  5.6564  127.577    41.699   105.096    59.429   149.379    58.525   28.242  8.1927  33.689  7.3650  -5.446985      11.01651 
1 1 1 -11 -35 5  o 44.488  4.7166  247.270    50.137   207.664    73.067   282.510    68.923   39.724  7.8589  47.129  6.1758  -7.404613      9.995143 
1 1 1 -11 -35 6  o 22.124  6.5501  62.567     37.647   74.141     52.722   50.526     53.774   24.309  7.8486  21.625  7.8872  2.684010       11.12692 
1 1 1 -11 -35 7  o 15.935  6.2502  19.627     35.233   42.550     48.334   -6.3659    51.468   20.243  7.4632  16.099  7.0157  4.143726       10.24305 
1 1 1 -11 -35 8  o 83.845  3.9859  863.161    81.090   824.356    117.813  898.095    111.781  81.114  6.0290  84.922  5.4536  -3.807930      8.129622 
1 1 1 -11 -35 9  o 114.013 4.1139  1596.39    113.807  1514.36    164.405  1671.86    157.698  110.051 6.1819  116.079 5.5990  -6.028152      8.340533 
1 1 1 -11 -35 10 o 52.944  4.3757  346.830    55.709   376.983    78.673   316.506    78.895   54.756  6.0209  49.911  6.6824  4.845238       8.994746 
1 1 1 -11 -35 11 o 51.997  4.3626  334.378    54.532   243.451    77.687   422.694    76.563   43.390  7.6590  58.207  5.4857  -14.81704      9.420865 
1 1 1 -11 -35 12 o 31.958  5.5150  129.677    41.219   148.248    57.790   110.445    58.809   33.791  7.2644  29.119  8.0529  4.672607       10.84532 
1 1 1 -11 -35 13 o 33.288  5.5873  140.487    43.530   105.254    62.779   173.112    60.411   28.572  8.4584  36.656  7.0482  -8.084150      11.01003 
1 1 1 -11 -35 14 o 16.939  6.6997  20.467     40.800   -70.0704   60.666   95.241     55.132   14.040  6.6539  27.215  7.8899  -13.17535      10.32109 
1 1 1 -11 -35 15 o 72.149  4.2025  639.875    73.251   554.977    105.926  717.685    101.407  66.508  6.6532  76.072  5.5317  -9.564461      8.652420 
1 1 1 -11 -35 16 o 47.509  5.5178  281.880    62.422   296.392    80.603   260.133    98.669   48.305  7.0877  44.486  9.4337  3.819893       11.79955 
1 1 1 -11 -35 17 o 55.262  6.7833  384.675    89.046   384.675    89.046   0.0000     0.0000   55.262  6.7833  ?       ?       0.000000       6.783288 
1 1 1 -11 -35 18 o 70.311  6.0779  615.363    102.672  615.363    102.672  0.0000     0.0000   70.311  6.0779  ?       ?       0.000000       6.077931 
1 1 1 -11 -35 19 o 29.722  9.7380  109.254    81.014   109.254    81.014   0.0000     0.0000   29.722  9.7380  ?       ?       0.000000       9.738014 
1 1 1 -11 -35 20 o 73.613  5.6518  671.471    100.180  749.501    135.394  577.070    148.921  77.273  7.3079  66.952  9.4281  10.32123       11.92872 
1 1 1 -11 -35 21 o 86.604  5.6449  927.749    117.971  914.148    161.800  943.186    172.375  85.183  7.9188  86.370  8.3284  -1.186760      11.49219 
1 1 1 -11 -35 22 o 39.631  8.1141  203.220    75.401   368.829    110.446  58.658     103.189  53.520  8.8116  27.033  10.666  26.48779       13.83533 
1 1 1 -11 -35 23 o 40.656  7.7443  212.624    73.607   272.006    105.227  155.728    103.000  45.511  9.8174  34.835  10.940  10.67574       14.69885 
1 1 1 -11 -35 24 o 27.898  8.9171  96.687     68.186   164.900    97.508   31.412     95.385   35.574  10.544  24.466  10.040  11.10778       14.55927 
1 1 1 -11 -35 25 o 84.796  3.9497  878.929    81.264   885.156    123.362  874.156    108.010  84.462  6.0597  84.148  5.3174  0.3137817      8.061929 
1 1 1 -11 -35 26 o 78.069  4.0190  747.213    75.873   756.349    116.478  740.479    99.999   77.991  6.2065  77.404  5.3573  0.5866013      8.198839 
1 1 1 -11 -35 27 o 13.920  5.8974  1.7949     34.484   22.808     72.614   -4.3243    39.185   21.373  8.7641  14.243  6.1643  7.130693       10.71489 
1 1 1 -11 -35 28 o 69.376  4.6090  592.745    77.144   0.0000     0.0000   592.745    77.144   ?       ?       69.376  4.6090  0.000000       4.609022 
1 1 1 -11 -35 29 o 56.989  4.6650  401.062    63.942   0.0000     0.0000   401.062    63.942   ?       ?       56.989  4.6650  0.000000       4.665026 
1 1 1 -11 -35 30 o 49.361  4.8585  302.121    57.436   0.0000     0.0000   302.121    57.436   ?       ?       49.361  4.8585  0.000000       4.858469 
1 1 1 -11 -35 31 o 68.759  3.7468  579.743    62.276   724.417    109.645  510.845    75.666   76.300  5.9700  64.285  4.8875  12.01481       7.715478 
1 1 1 -11 -35 32 o 15.501  5.6976  23.857     28.139   38.594     48.816   16.523     34.437   19.969  7.4730  15.505  6.1479  4.464403       9.676883 
1 1 1 -11 -35 33 o 35.762  4.2842  159.035    36.436   175.769    61.379   149.929    45.277   36.932  7.1074  34.410  5.6167  2.522175       9.058873 
1 1 1 -11 -35 34 o 19.786  5.8676  49.263     30.192   0.9742     54.838   70.267     36.167   17.255  7.3774  23.376  6.2539  -6.121468      9.671503 
1 1 1 -11 -35 35 o 51.721  3.7932  329.292    47.271   313.266    76.941   339.008    59.912   49.737  6.5337  52.265  4.7771  -2.528263      8.093809 
1 1 1 -11 -35 36 o 41.901  4.1691  217.575    41.824   257.680    72.685   197.723    51.138   44.897  6.8924  39.619  5.4650  5.277679       8.796101 
1 1 1 -11 -35 37 o 109.003 3.7726  1456.13    99.781   1356.64    153.815  1528.42    131.111  104.202 6.1103  111.309 4.8545  -7.107460      7.803972 
1 1 1 -11 -35 38 o 87.202  3.6686  931.796    77.622   884.606    122.762  963.230    100.194  84.047  6.0604  88.263  4.6953  -4.216034      7.666457 
1 1 1 -11 -35 39 o 14.450  6.0551  5.4725     35.714   -48.3382   52.603   51.488     48.644   13.661  6.3871  21.322  7.5353  -7.660995      9.878029 
1 1 1 -11 -35 40 o 13.724  6.1261  -15.1030   41.544   91.109     76.594   -59.3752   49.451   27.354  9.4698  12.543  5.9629  14.81092       11.19080 
1 1 1 -11 -35 41 o 42.143  6.3949  227.319    63.339   224.578    106.146  228.835    78.932   40.400  10.670  41.683  8.0960  -1.283657      13.39368 
1 1 1 -11 -35 42 o 27.047  7.6195  95.935     52.141   72.418     90.763   107.519    63.702   26.529  10.130  28.603  8.5324  -2.074276      13.24474 
1 1 1 -11 -35 43 o 46.793  4.1558  271.733    46.693   274.499    78.410   270.212    58.122   46.019  7.2630  46.352  5.2611  -0.3324966     8.968264 
1 1 1 -11 -35 44 o 18.136  6.3681  37.186     34.694   152.636    62.030   -15.3729   41.853   33.947  7.7069  13.734  6.1384  20.21283       9.852722 
1 1 1 -11 -35 45 o 33.300  5.5070  141.660    42.941   94.953     72.046   167.394    53.477   27.389  9.1908  35.997  6.3549  -8.608255      11.17389 
1 1 1 -11 -35 46 o 50.951  5.1902  326.162    63.269   264.318    88.627   390.435    90.351   44.536  8.5116  55.109  6.9087  -10.57256      10.96258 
1 1 1 -11 -35 47 o 40.334  6.9319  211.800    65.395   227.083    115.983  204.677    79.181   40.056  11.392  38.995  8.5998  1.061649       14.27359 
1 1 1 -11 -35 48 o 26.955  8.4821  95.102     61.887   -100.4571  107.840  191.133    75.569   18.951  8.9485  37.648  8.4767  -18.69714      12.32597 
1 1 1 -11 -35 49 f 14.885  6.7283  -23.2366   51.888   47.677     91.129   -57.2563   63.118   24.424  9.8921  14.825  6.9520  9.599082       12.09069 
1 1 1 -11 -35 50 o 30.103  6.1624  118.545    43.496   107.109    74.154   124.543    53.705   28.442  9.3165  30.524  7.3412  -2.081711      11.86130 
1 1 1 -11 -35 51 o 19.009  6.6683  42.155     38.038   31.722     70.652   46.414     45.139   21.235  8.6689  20.161  7.2444  1.073780       11.29743 
1 1 1 -11 -35 52 o 30.061  6.1612  118.848    43.430   106.380    80.359   123.993    51.619   28.336  9.7056  30.404  7.1218  -2.068232      12.03822 
1 1 1 -11 -35 53 o 17.327  6.6112  29.072     38.638   -105.1996  76.006   75.863     44.868   14.665  7.0804  23.917  7.1668  -9.251889      10.07443 
1 1 1 -11 -35 54 o 48.194  4.6175  293.195    53.336   358.835    97.767   265.383    63.640   51.469  8.0960  45.263  5.9378  6.205482       10.04009 
1 1 1 -11 -35 55 o 67.136  4.6480  568.042    75.250   617.618    136.753  546.512    90.121   67.160  8.5887  65.204  5.7553  1.956024       10.33872 
1 1 1 -11 -35 56 o 79.738  4.4688  799.573    86.113   869.659    155.907  768.805    103.300  80.036  8.1415  77.465  5.5322  2.571365       9.843254 
1 1 1 -11 -35 57 o 34.231  7.0010  158.817    56.188   177.875    110.638  152.193    65.225   34.195  11.389  32.933  8.1953  1.262089       14.03078 
1 1 1 -11 -35 58 o 42.379  8.3200  250.774    82.500   339.044    152.841  214.481    98.004   45.194  13.147  37.811  10.371  7.383728       16.74481 
1 1 1 -11 -35 59 f 42.084  8.4101  248.247    82.874   451.240    155.301  167.427    97.993   53.483  12.233  33.369  10.692  20.11349       16.24726 
1 1 1 -11 -35 60 o 15.387  6.7786  -5.9536    49.218   136.172    111.112  -40.6481   54.898   30.778  11.320  14.123  6.5768  16.65517       13.09226 
1 1 1 -11 -35 61 o 50.653  6.0233  335.076    72.578   478.651    145.269  287.316    83.785   56.522  10.988  45.783  7.8232  10.73887       13.48854 
1 1 1 -11 -35 62 o 24.896  8.0050  84.225     54.887   -29.3557   121.800  113.167    61.484   22.171  10.133  28.376  8.3625  -6.205032      13.13820 
1 1 1 -11 -35 63 o 40.935  10.063  249.361    99.243   167.819    250.021  264.612    108.126  34.782  15.302  41.747  10.642  -6.964146      18.63884 
1 1 1 -11 -35 64 o 36.732  10.540  207.140    98.840   242.619    271.600  201.724    106.117  36.928  16.104  35.910  11.076  1.018124       19.54505 
1 1 1 -11 -35 65 o 23.516  9.6399  55.168     87.817   -125.4041  264.042  77.626     93.118   27.182  13.142  25.392  10.097  1.790085       16.57243 
1 1 1 -11 -34 1  o 41.417  8.1806  226.867    79.293   271.940    168.960  214.136    89.796   43.354  14.056  39.753  9.4485  3.601006       16.93634 
1 1 1 -11 -34 2  o 76.645  6.2772  741.067    115.714  639.120    214.766  782.768    137.357  66.585  13.749  78.259  7.3185  -11.67395      15.57513 
1 1 1 -11 -34 3  o 25.666  9.1654  76.473     72.146   0.0000     0.0000   76.473     72.146   ?       ?       25.666  9.1654  0.000000       9.165412 
1 1 1 -11 -34 4  o 108.522 6.0785  1474.60    159.413  1447.77    271.137  1488.78    197.074  104.064 10.900  108.137 7.5584  -4.073112      13.26399 
1 1 1 -11 -34 5  o 57.290  6.6452  416.312    90.659   307.045    175.264  456.229    105.931  46.291  14.227  59.674  7.4804  -13.38319      16.07351 
1 1 1 -11 -34 6  f 95.370  5.8716  1134.61    135.212  1323.17    236.704  1043.29    164.734  100.640 9.8183  90.621  7.5609  10.01899       12.39221 
1 1 1 -11 -34 7  o 87.917  5.9305  964.162    125.772  827.794    221.396  1029.14    152.827  78.191  12.057  90.354  7.0262  -12.16275      13.95491 
1 1 1 -11 -34 8  o 57.913  5.3720  417.788    74.628   424.490    171.835  416.230    82.849   55.247  13.030  57.615  6.0150  -2.368473      14.35140 
1 1 1 -11 -34 9  o 42.377  5.1286  224.427    51.662   260.408    77.028   195.009    69.649   45.087  7.2898  38.780  7.6736  6.306362       10.58419 
1 1 1 -11 -34 10 o 74.799  3.9920  686.935    72.189   693.016    103.519  681.178    100.721  74.656  5.7592  74.046  5.6486  0.6098785      8.066896 
1 1 1 -11 -34 11 o 54.661  4.2281  368.169    55.641   399.668    81.039   340.078    76.531   56.541  5.9987  52.059  6.1793  4.481766       8.612072 
1 1 1 -11 -34 12 o 98.259  3.9067  1180.67    93.142   1196.85    135.225  1166.07    128.480  98.338  5.6916  97.132  5.4737  1.205185       7.896569 
1 1 1 -11 -34 13 f 57.526  4.1245  406.910    57.188   356.071    82.319   454.334    79.506   53.245  6.5071  60.508  5.4745  -7.262852      8.503679 
1 1 1 -11 -34 14 o 57.013  4.1358  399.611    56.824   400.114    82.392   399.154    78.474   56.618  6.0934  56.626  5.7930  -0.7213593E-02 8.407631 
1 1 1 -11 -34 15 f 101.433 4.5002  1259.84    110.758  1210.61    140.031  1342.12    181.014  98.950  5.8584  103.703 7.2392  -4.752907      9.312735 
1 1 1 -11 -34 16 o 140.927 6.0496  2448.55    206.865  2448.55    206.865  0.0000     0.0000   140.927 6.0496  ?       ?       0.000000       6.049613 
1 1 1 -11 -34 17 o 159.256 6.3986  3131.16    247.256  3131.16    247.256  0.0000     0.0000   159.256 6.3986  ?       ?       0.000000       6.398627 
1 1 1 -11 -34 18 f 47.210  5.4055  277.138    60.805   298.615    78.904   245.735    95.410   48.684  6.8706  43.449  9.3287  5.234215       11.58577 
1 1 1 -11 -34 19 o 53.807  4.8270  357.352    62.350   381.168    86.593   331.712    89.849   55.192  6.5968  51.215  7.4485  3.977146       9.949814 
1 1 1 -11 -34 20 o 87.698  3.8861  938.744    82.692   1003.77    124.328  887.160    110.737  90.196  5.7104  84.849  5.4069  5.346687       7.864038 
1 1 1 -11 -34 21 o 103.107 5.6426  1309.85    140.632  1384.36    194.355  1227.96    203.744  105.340 7.6563  98.828  8.5817  6.511833       11.50060 
1 1 1 -11 -34 22 o 69.793  5.8769  603.093    98.597   562.940    136.603  646.759    142.456  66.632  8.6535  71.586  8.3588  -4.954193      12.03133 
1 1 1 -11 -34 23 o 63.063  6.2098  494.346    93.788   514.856    134.639  475.012    130.720  63.574  8.9781  60.976  9.1150  2.597698       12.79412 
1 1 1 -11 -34 24 o 101.813 5.7601  1278.08    141.714  1340.41    195.651  1209.28    205.544  103.577 7.8431  98.009  8.7347  5.568298       11.73923 
1 1 1 -11 -34 25 o 91.600  5.7312  1035.25    126.742  962.849    176.423  1112.46    182.195  87.482  8.4152  94.223  8.0463  -6.741638      11.64301 
1 1 1 -11 -34 26 o 47.233  7.3753  282.780    81.763   370.139    118.888  204.380    112.627  53.542  9.4990  39.482  11.225  14.06017       14.70483 
1 1 1 -11 -34 27 o 45.215  4.8111  253.168    51.972   0.0000     0.0000   253.168    51.972   ?       ?       45.215  4.8111  0.000000       4.811095 
1 1 1 -11 -34 28 o 139.147 5.3448  2377.75    180.456  0.0000     0.0000   2377.75    180.456  ?       ?       139.147 5.3448  0.000000       5.344823 
1 1 1 -11 -34 29 o 127.680 5.1556  2000.99    159.722  0.0000     0.0000   2000.99    159.722  ?       ?       127.680 5.1556  0.000000       5.155572 
1 1 1 -11 -34 30 o 99.021  3.6955  1196.99    88.791   1416.05    143.457  1060.96    113.047  107.152 5.5366  92.847  5.0368  14.30503       7.484885 
1 1 1 -11 -34 31 o 50.450  3.7246  312.481    45.271   183.970    73.827   389.923    57.310   37.636  8.3068  56.299  4.2262  -18.66293      9.320052 
1 1 1 -11 -34 32 o 65.384  3.5286  523.353    55.773   560.678    88.719   498.964    71.716   67.268  5.4832  63.620  4.6786  3.648209       7.208010 
1 1 1 -11 -34 33 o 92.387  3.5739  1042.38    80.115   1139.96    125.193  974.707    104.258  96.068  5.3926  88.965  4.8480  7.102684       7.251440 
1 1 1 -11 -34 34 o 59.834  3.6364  439.044    52.543   387.871    84.770   470.969    66.957   55.584  6.4024  61.808  4.4954  -6.224819      7.823011 
1 1 1 -11 -34 35 o 73.218  4.3809  659.806    77.472   625.312    100.729  709.759    121.218  70.855  5.9130  75.248  6.7095  -4.392487      8.943192 
1 1 1 -11 -34 36 o 33.980  4.6230  144.381    37.126   121.505    65.081   155.417    45.203   30.517  8.4830  35.077  5.4912  -4.560562      10.10523 
1 1 1 -11 -34 37 o 48.844  3.9083  294.057    45.931   220.346    76.497   335.614    57.438   41.173  7.9450  52.054  4.5947  -10.88094      9.177920 
1 1 1 -11 -34 38 o 92.342  3.6764  1043.84    82.374   970.774    129.118  1094.00    106.971  88.178  6.0718  94.273  4.6764  -6.094978      7.663899 
1 1 1 -11 -34 39 o 93.275  3.6991  1065.67    83.719   997.883    131.578  1111.78    108.520  89.337  6.1066  94.991  4.7083  -5.654243      7.710900 
1 1 1 -11 -34 40 o 44.873  6.3216  255.935    66.923   200.734    107.830  290.518    85.350   38.414  11.005  47.387  7.6864  -8.972614      13.42321 
1 1 1 -11 -34 41 o 104.023 5.5604  1347.63    139.838  1266.08    214.199  1408.20    184.605  98.757  9.0392  105.395 7.2631  -6.637886      11.59570 
1 1 1 -11 -34 42 o 27.464  7.7774  98.661     54.177   27.025     90.767   138.308    67.525   23.341  9.7063  32.256  8.5059  -8.914942      12.90592 
1 1 1 -11 -34 43 o 64.311  5.4837  517.736    84.752   611.724    133.938  454.971    109.452  68.714  8.1949  59.332  7.7911  9.382065       11.30740 
1 1 1 -11 -34 44 o 33.105  5.4639  139.658    42.358   149.027    70.356   134.331    53.051   33.384  8.6244  32.032  7.0196  1.352722       11.11999 
1 1 1 -11 -34 45 o 10.881  5.0891  -31.6873   33.438   -71.5242   56.705   -10.4511   41.402   13.231  6.3167  14.039  6.1991  -0.8070812     8.850394 
1 1 1 -11 -34 46 o 41.663  4.8316  217.688    47.936   113.195    80.155   275.871    59.811   29.552  9.6865  46.802  5.3637  -17.25018      11.07234 
1 1 1 -11 -34 47 o 37.364  5.4207  177.292    47.710   83.393     78.962   231.281    59.875   26.608  9.5794  42.593  5.9564  -15.98519      11.28024 
1 1 1 -11 -34 48 o 23.106  8.2420  61.769     58.325   132.073    101.750  27.364     71.180   31.803  10.920  21.174  8.6792  10.62929       13.94913 
1 1 1 -11 -34 49 f 15.259  6.7394  -11.0570   48.956   40.362     94.378   -29.9853   57.262   24.301  9.9812  15.369  6.9946  8.931456       12.18805 
1 1 1 -11 -34 50 o 53.814  5.8805  368.254    75.535   231.862    141.958  422.120    89.212   39.893  12.879  57.362  6.5258  -17.46891      14.43760 
1 1 1 -11 -34 51 f 26.511  6.6235  92.929     42.484   47.417     82.646   109.274    49.529   23.631  9.4732  28.639  7.1497  -5.007483      11.86840 
1 1 1 -11 -34 52 o 51.029  4.5674  326.418    55.954   204.582    102.262  378.480    66.849   37.816  10.677  54.772  5.0881  -16.95665      11.82733 
1 1 1 -11 -34 53 o 35.594  5.7114  163.759    47.659   130.564    91.955   175.951    55.728   30.864  10.383  36.610  6.5121  -5.746576      12.25630 
1 1 1 -11 -34 54 o 62.806  4.2393  492.689    64.226   602.054    115.469  443.696    77.285   67.774  7.1284  59.032  5.4574  8.741848       8.977611 
1 1 1 -11 -34 55 o 59.556  4.4009  444.943    63.146   431.613    117.071  450.412    74.990   55.960  8.9215  59.517  5.2464  -3.556705      10.34981 
1 1 1 -11 -34 56 o 108.523 4.4083  1472.85    116.080  1671.81    197.521  1367.88    143.469  112.591 7.2690  103.381 5.7421  9.209801       9.263311 
1 1 1 -11 -34 57 o 29.179  7.5906  117.230    54.252   4.2898     112.242  151.659    61.971   23.008  10.181  33.121  7.8340  -10.11241      12.84622 
1 1 1 -11 -34 58 o 26.103  8.7173  92.493     64.811   49.371     113.325  113.452    79.008   25.346  10.712  28.501  9.6243  -3.155455      14.40049 
1 1 1 -11 -34 59 o 22.226  8.5215  54.563     64.387   22.109     122.691  66.898     75.640   24.551  10.762  24.069  9.2342  0.4825382      14.18054 
1 1 1 -11 -34 60 o 26.115  9.0759  91.449     70.386   183.102    139.946  60.414     81.436   34.492  12.702  23.912  9.4628  10.58004       15.83937 
1 1 1 -11 -34 61 o 24.036  8.1648  75.952     56.866   70.766     119.309  77.476     64.686   26.915  11.155  24.508  8.6865  2.407097       14.13823 
1 1 1 -11 -34 62 o 33.412  7.6311  153.910    60.509   185.241    128.778  145.033    68.548   34.691  12.260  31.992  8.6313  2.699171       14.99396 
1 1 1 -11 -34 63 o 22.961  9.5156  42.427     86.807   46.008     227.036  41.814     93.946   30.706  13.957  23.465  9.8261  7.240953       17.06858 
1 1 1 -11 -34 64 o 18.680  8.6138  -41.4480   90.728   -122.8725  253.751  -29.5130   97.150   27.481  13.184  19.868  9.0685  7.613298       16.00206 
1 1 1 -11 -34 65 o 27.159  10.224  99.585     91.629   117.352    242.179  96.616     98.988   32.465  14.618  27.178  10.527  5.287140       18.01368 
1 1 1 -11 -33 1  o 60.755  6.6472  468.385    96.392   457.593    190.614  472.094    111.731  56.184  14.026  60.515  7.7902  -4.330559      16.04401 
1 1 1 -11 -33 2  o 43.140  7.8322  242.584    78.963   452.413    169.323  184.268    89.264   56.845  12.606  36.980  9.7933  19.86528       15.96334 
1 1 1 -11 -33 3  o 101.331 6.0101  1282.28    147.110  1291.32    254.369  1277.74    180.326  98.662  10.802  100.388 7.4563  -1.725769      13.12552 
1 1 1 -11 -33 4  o 43.145  7.5777  240.733    76.434   161.968    154.920  266.075    87.874   36.502  13.376  45.150  8.3280  -8.647575      15.75669 
1 1 1 -11 -33 5  o 79.744  5.9080  792.820    113.500  658.268    204.822  852.448    136.350  69.399  12.629  82.314  6.8902  -12.91461      14.38613 
1 1 1 -11 -33 6  o 55.360  6.4291  385.824    84.752   362.331    166.047  394.100    98.556   51.046  13.280  55.608  7.4954  -4.561390      15.24897 
1 1 1 -11 -33 7  o 100.868 5.9052  1262.95    143.897  1310.90    241.694  1236.62    179.098  100.688 10.026  99.124  7.5020  1.563423       12.52221 
1 1 1 -11 -33 8  o 65.300  6.2225  532.530    97.400   617.867    177.940  496.023    116.383  68.437  11.096  62.477  7.8506  5.959740       13.59212 
1 1 1 -11 -33 9  o 69.791  6.1670  606.663    103.358  848.094    182.781  493.174    125.318  81.331  9.4375  62.110  8.5415  19.22089       12.72885 
1 1 1 -11 -33 10 o 66.135  6.1053  544.374    96.866   536.030    171.372  548.291    117.423  63.679  11.515  65.969  7.4673  -2.290401      13.72435 
1 1 1 -11 -33 11 o 108.294 5.8612  1448.82    153.440  1423.81    247.283  1464.48    195.664  105.702 9.7515  108.269 7.4941  -2.566826      12.29854 
1 1 1 -11 -33 12 o 45.931  5.5932  263.030    61.048   122.688    143.402  294.094    67.467   34.198  12.806  48.549  5.8448  -14.35095      14.07694 
1 1 1 -11 -33 13 o 103.249 3.8942  1301.30    97.560   1231.69    140.744  1365.68    135.354  99.907  5.8312  105.366 5.3113  -5.458519      7.887556 
1 1 1 -11 -33 14 o 58.468  4.6564  420.797    65.511   491.914    83.327   305.700    106.007  63.076  5.4995  48.639  9.3215  14.43694       10.82290 
1 1 1 -11 -33 15 o 75.650  5.6807  706.459    103.512  706.459    103.512  0.0000     0.0000   75.650  5.6807  ?       ?       0.000000       5.680734 
1 1 1 -11 -33 16 o 67.404  5.8561  562.031    94.824   562.031    94.824   0.0000     0.0000   67.404  5.8561  ?       ?       0.000000       5.856112 
1 1 1 -11 -33 17 o 167.817 4.5231  3441.07    184.178  3283.35    263.326  3592.12    257.700  163.256 6.6475  170.924 6.2137  -7.667694      9.099415 
1 1 1 -11 -33 18 o 135.267 4.0934  2232.46    134.352  2483.87    195.133  2005.86    185.256  142.315 5.6509  127.810 5.9737  14.50573       8.222989 
1 1 1 -11 -33 19 o 51.275  4.2488  323.043    52.384   262.273    82.280   364.463    67.930   45.448  7.7387  54.321  5.2181  -8.873001      9.333632 
1 1 1 -11 -33 20 o 104.750 3.9238  1337.94    99.730   1407.03    148.016  1280.49    134.965  106.969 5.7235  102.093 5.4682  4.876480       7.915794 
1 1 1 -11 -33 21 o 175.693 4.5933  3770.70    195.814  3844.23    281.105  3701.39    272.921  176.772 6.5538  173.483 6.4836  3.289551       9.218935 
1 1 1 -11 -33 22 o 119.208 4.0173  1733.09    116.198  1917.54    171.341  1576.01    158.113  125.073 5.6459  113.220 5.7747  11.85290       8.076060 
1 1 1 -11 -33 23 o 173.283 6.5826  3694.38    276.767  3774.58    383.771  3607.45    399.521  173.819 9.1313  169.574 9.7510  4.245331       13.35903 
1 1 1 -11 -33 24 o 96.082  5.7075  1135.85    132.465  1096.40    184.758  1177.59    190.019  93.697  8.2095  97.152  8.1358  -3.454483      11.55797 
1 1 1 -11 -33 25 o 29.717  8.7014  111.960    66.759   147.193    96.686   79.858     92.290   34.167  10.578  27.977  10.313  6.189938       14.77329 
1 1 1 -11 -33 26 o 127.845 7.1533  2023.27    221.007  0.0000     0.0000   2023.27    221.007  ?       ?       127.845 7.1533  0.000000       7.153256 
1 1 1 -11 -33 27 f 163.409 8.1407  3314.31    322.776  0.0000     0.0000   3314.31    322.776  ?       ?       163.409 8.1407  0.000000       8.140658 
1 1 1 -11 -33 28 o 61.875  4.6092  470.540    68.704   0.0000     0.0000   470.540    68.704   ?       ?       61.875  4.6092  0.000000       4.609243 
1 1 1 -11 -33 29 o 74.071  3.6913  668.990    66.343   650.155    114.536  678.500    81.386   72.337  6.5981  74.366  4.5320  -2.028526      8.004650 
1 1 1 -11 -33 30 o 55.519  3.6087  377.393    48.350   444.226    78.392   336.362    61.424   59.930  5.4505  52.188  4.9083  7.741444       7.334838 
1 1 1 -11 -33 31 o 105.688 3.6230  1362.32    92.910   1369.28    141.746  1357.08    123.023  105.440 5.5601  105.271 4.8163  0.1683960      7.356016 
1 1 1 -11 -33 32 o 47.315  3.8249  275.038    43.537   292.929    71.981   264.717    54.671   48.350  6.2841  46.216  4.9524  2.134472       8.001069 
1 1 1 -11 -33 33 o 102.953 3.6399  1293.54    90.928   1270.85    139.434  1310.33    119.939  101.465 5.6864  103.399 4.7806  -1.934135      7.428954 
1 1 1 -11 -33 34 o 61.463  3.6139  462.703    53.659   499.373    87.303   440.440    68.025   63.420  5.7354  59.757  4.7302  3.662910       7.434346 
1 1 1 -11 -33 35 o 62.304  4.4581  477.964    66.950   532.000    87.997   403.696    103.163  65.483  5.5919  56.368  7.7476  9.114681       9.554816 
1 1 1 -11 -33 36 o 63.244  3.6452  490.265    55.701   492.014    89.430   489.156    71.198   62.834  5.9360  62.962  4.6941  -0.1275902     7.567779 
1 1 1 -11 -33 37 o 99.640  3.6799  1213.67    88.968   1216.08    138.475  1211.98    116.102  99.028  5.7882  99.302  4.8186  -0.2735825     7.531385 
1 1 1 -11 -33 38 o 59.705  3.7201  437.682    53.624   372.621    87.895   476.258    67.679   54.281  6.8244  62.118  4.5213  -7.837391      8.186254 
1 1 1 -11 -33 39 o 80.015  3.6625  783.340    71.107   776.849    112.859  787.613    91.566   78.937  5.9359  79.870  4.7462  -0.9336090     7.600066 
1 1 1 -11 -33 40 o 50.513  3.9411  314.605    47.921   221.637    80.935   364.791    59.465   41.113  8.3971  54.275  4.5576  -13.16235      9.554238 
1 1 1 -11 -33 41 o 104.060 5.4896  1345.16    138.117  1343.84    209.949  1346.16    183.390  102.348 8.5319  103.140 7.3766  -0.7927322     11.27868 
1 1 1 -11 -33 42 o 26.837  7.5403  93.713     51.133   -57.0247   89.441   166.899    62.322   18.678  8.5907  35.762  7.4250  -17.08431      11.35476 
1 1 1 -11 -33 43 o 54.377  5.8155  371.935    75.541   438.577    118.638  326.492    97.967   57.922  8.7112  49.968  8.3767  7.953705       12.08527 
1 1 1 -11 -33 44 o 42.052  4.5750  220.575    45.928   151.385    77.991   257.309    56.827   33.623  9.2635  45.266  5.2727  -11.64287      10.65902 
1 1 1 -11 -33 45 o 26.903  6.4281  94.275     41.388   162.297    68.536   55.230     51.925   34.962  8.2177  21.998  7.7841  12.96396       11.31913 
1 1 1 -11 -33 46 o 64.429  4.1085  512.786    63.894   435.529    105.980  556.901    80.085   58.041  7.7165  66.883  4.9703  -8.841560      9.178710 
1 1 1 -11 -33 47 o 44.921  4.6975  252.074    50.443   195.100    84.424   283.708    62.907   38.002  9.2442  47.420  5.5737  -9.417847      10.79452 
1 1 1 -11 -33 48 o 37.027  5.3421  173.850    46.606   200.659    82.083   161.095    56.618   38.597  8.9403  35.146  6.8855  3.451122       11.28450 
1 1 1 -11 -33 49 o 86.493  5.3526  935.635    111.782  1019.52    191.115  892.016    137.814  87.916  9.0903  83.655  6.8496  4.261543       11.38205 
1 1 1 -11 -33 50 o 10.411  5.0020  -52.1326   36.806   -300.7177  80.200   14.192     41.426   ?       ?       16.215  6.6310  0.000000       6.630974 
1 1 1 -11 -33 51 o 14.163  5.9815  4.1456     35.293   -0.8235    74.732   5.5721     40.040   19.547  8.4865  15.128  6.3790  4.419416       10.61660 
1 1 1 -11 -33 52 o 73.496  4.1083  670.013    72.971   575.092    127.245  716.526    89.074   66.014  8.1148  75.678  4.8768  -9.663445      9.467496 
1 1 1 -11 -33 53 o 21.378  6.8360  58.123     40.069   147.858    83.200   31.025     45.721   32.619  9.7558  18.462  7.1534  14.15712       12.09738 
1 1 1 -11 -33 54 o 28.774  6.5500  109.906    44.704   52.439     88.757   129.439    51.747   24.318  9.7928  31.117  7.0206  -6.799143      12.04940 
1 1 1 -11 -33 55 o 32.346  6.1048  137.299    46.156   278.071    94.050   92.638     52.974   44.824  8.9606  26.228  7.7711  18.59602       11.86095 
1 1 1 -11 -33 56 o 100.354 4.4438  1257.85    108.206  1343.73    187.895  1215.24    132.358  100.598 7.7576  97.678  5.6081  2.920776       9.572385 
1 1 1 -11 -33 57 o 55.206  5.2560  388.850    69.556   441.415    134.300  369.582    81.311   55.263  10.397  53.175  6.4328  2.088127       12.22624 
1 1 1 -11 -33 58 o 20.534  7.5797  48.107     49.881   -43.8160   107.430  73.370     56.320   20.485  9.4194  23.780  8.1253  -3.294664      12.43966 
1 1 1 -11 -33 59 f 22.404  10.209  -29.0753   122.475  -29.0753   122.475  0.0000     0.0000   22.404  10.209  ?       ?       0.000000       10.20927 
1 1 1 -11 -33 60 o 28.830  9.1251  116.660    71.538   75.295     139.816  131.329    83.262   28.305  11.927  30.331  9.8691  -2.026709      15.48062 
1 1 1 -11 -33 61 o 31.902  7.6987  140.332    58.911   227.270    125.574  115.798    66.707   38.159  12.091  28.766  8.7655  9.393345       14.93410 
1 1 1 -11 -33 62 o 62.408  5.2243  496.792    78.382   371.370    156.832  538.550    90.494   47.927  13.108  64.612  5.8352  -16.68416      14.34836 
1 1 1 -11 -33 63 o 50.083  9.2129  354.651    107.832  -122.9581  255.957  457.712    118.899  28.051  13.399  57.344  8.8285  -29.29333      16.04642 
1 1 1 -11 -33 64 o 21.545  9.4380  8.6353     94.223   -112.5174  260.873  26.811     101.044  28.247  13.503  23.120  9.9528  5.126703       16.77447 
1 1 1 -11 -33 65 o 38.778  10.644  230.087    103.191  392.964    282.623  205.033    110.844  42.561  17.352  36.163  11.347  6.398209       20.73326 
1 1 1 -11 -32 1  o 73.262  3.9737  660.205    70.374   685.504    103.634  638.555    95.867   74.089  5.8114  71.578  5.5635  2.511040       8.045199 
1 1 1 -11 -32 2  o 143.522 4.3380  2529.97    151.068  2553.02    220.474  2509.57    207.409  143.180 6.3462  142.144 6.0136  1.036209       8.742844 
1 1 1 -11 -32 3  o 32.882  5.1845  136.424    39.994   130.217    56.976   142.454    56.154   31.605  7.5358  33.140  7.1900  -1.535133      10.41563 
1 1 1 -11 -32 4  o 88.287  3.8852  953.896    83.228   913.418    122.472  988.629    113.450  85.712  5.9252  89.414  5.2523  -3.701965      7.917998 
1 1 1 -11 -32 5  o 71.175  4.4253  623.415    76.047   705.352    98.841   504.547    119.049  75.464  5.4344  62.971  7.9699  12.49285       9.646386 
1 1 1 -11 -32 6  o 69.002  5.9469  592.019    98.594   419.729    180.215  665.614    117.784  55.309  13.538  72.954  6.7297  -17.64505      15.11847 
1 1 1 -11 -32 7  f 61.162  6.3559  467.129    92.947   380.285    168.492  505.115    111.436  52.887  13.178  63.321  7.3921  -10.43370      15.10967 
1 1 1 -11 -32 8  o 42.707  7.4980  232.896    74.863   203.776    146.143  243.256    87.169   39.887  13.080  43.380  8.5854  -3.493511      15.64571 
1 1 1 -11 -32 9  o 92.994  5.8318  1067.84    130.924  1068.22    218.276  1067.62    163.626  91.498  9.9943  92.513  7.3498  -1.015549      12.40588 
1 1 1 -11 -32 10 o 73.448  5.8777  667.283    103.872  628.798    178.580  686.960    127.695  69.685  10.920  74.186  7.1839  -4.501167      13.07153 
1 1 1 -11 -32 11 o 72.064  6.0361  642.692    104.572  629.696    180.351  649.274    128.351  69.781  11.017  72.070  7.4471  -2.289009      13.29807 
1 1 1 -11 -32 12 o 40.999  7.7901  214.711    74.662   312.914    138.193  174.230    88.726   48.700  11.815  36.653  9.7909  12.04738       15.34485 
1 1 1 -11 -32 13 o 49.059  6.7566  301.651    78.295   320.962    140.749  292.998    94.217   49.364  11.892  47.935  8.4071  1.428795       14.56355 
1 1 1 -11 -32 14 o 49.622  12.097  324.234    144.338  324.234    144.338  0.0000     0.0000   49.622  12.097  ?       ?       0.000000       12.09738 
1 1 1 -11 -32 15 o 21.068  7.7200  44.367     51.605   44.367     51.605   0.0000     0.0000   21.068  7.7200  ?       ?       0.000000       7.720031 
1 1 1 -11 -32 16 o 142.432 4.1753  2473.74    144.297  2426.90    206.750  2518.22    201.485  140.685 6.0567  143.372 5.7918  -2.687271      8.380232 
1 1 1 -11 -32 17 o 129.004 4.0075  2028.20    125.441  2148.02    181.766  1919.24    173.334  132.463 5.6553  125.200 5.7058  7.262764       8.033555 
1 1 1 -11 -32 18 o 44.904  4.3056  248.105    46.337   311.107    73.238   206.054    59.834   50.011  6.1660  40.529  6.2882  9.482014       8.806828 
1 1 1 -11 -32 19 o 115.050 3.8960  1612.49    108.760  1714.90    158.553  1521.47    149.469  118.402 5.5189  111.524 5.5235  6.878113       7.808174 
1 1 1 -11 -32 20 o 41.843  4.4647  215.936    44.629   191.910    67.659   234.441    59.380   38.857  7.4471  43.392  5.7838  -4.534885      9.429336 
1 1 1 -11 -32 21 o 61.351  4.1296  460.768    61.116   505.585    96.828   431.091    78.794   63.911  6.3271  59.111  5.5589  4.799789       8.422253 
1 1 1 -11 -32 22 o 62.024  4.2187  471.075    63.112   501.040    102.704  452.895    79.998   63.530  6.7668  60.611  5.4995  2.919334       8.719710 
1 1 1 -11 -32 23 o 42.502  4.9533  223.528    50.124   199.845    84.386   236.439    62.306   39.398  9.0217  43.525  6.0643  -4.127048      10.87044 
1 1 1 -11 -32 24 o 122.339 5.8774  1832.81    174.467  2047.40    243.037  1604.67    250.603  128.616 7.8250  113.368 9.1893  15.24834       12.06954 
1 1 1 -11 -32 25 o 42.488  6.8111  227.155    67.846   0.0000     0.0000   227.155    67.846   ?       ?       42.488  6.8111  0.000000       6.811063 
1 1 1 -11 -32 26 o 138.343 7.4403  2364.71    248.836  0.0000     0.0000   2364.71    248.836  ?       ?       138.343 7.4403  0.000000       7.440297 
1 1 1 -11 -32 27 o 127.793 7.1419  2016.68    220.570  0.0000     0.0000   2016.68    220.570  ?       ?       127.793 7.1419  0.000000       7.141929 
1 1 1 -11 -32 28 o 42.663  5.8447  227.105    58.912   166.046    120.526  246.272    67.529   36.622  11.871  44.329  6.4687  -7.707378      13.51933 
1 1 1 -11 -32 29 o 68.840  3.5017  578.606    58.297   662.591    91.132   520.433    75.846   73.422  5.1480  65.082  4.8375  8.339813       7.064198 
1 1 1 -11 -32 30 o 38.008  4.1320  178.285    37.493   146.572    61.936   196.629    47.104   33.778  7.7248  39.794  4.9881  -6.015678      9.195313 
1 1 1 -11 -32 31 f 36.128  4.3825  161.685    37.631   121.973    63.154   183.548    46.858   30.818  8.2722  38.386  5.1617  -7.567879      9.750521 
1 1 1 -11 -32 32 o 63.281  3.5882  489.640    54.868   443.537    88.062   518.895    70.149   59.751  6.1625  65.013  4.4741  -5.262505      7.615409 
1 1 1 -11 -32 33 o 72.748  3.5313  645.138    62.333   662.493    99.252   633.835    80.100   73.244  5.6278  71.842  4.6195  1.402504       7.280922 
1 1 1 -11 -32 34 o 80.649  3.5618  793.180    69.700   772.838    109.558  807.011    90.340   79.081  5.7490  81.080  4.6111  -1.998802      7.369690 
1 1 1 -11 -32 35 o 41.093  4.1871  208.520    41.166   200.829    68.123   212.944    51.666   39.628  7.3557  41.324  5.2729  -1.696297      9.050449 
1 1 1 -11 -32 36 o 64.285  3.6318  506.015    56.417   551.968    90.849   477.170    71.978   66.725  5.6649  62.201  4.8064  4.523998       7.429146 
1 1 1 -11 -32 37 o 71.718  3.6151  629.626    62.707   614.718    100.616  639.094    80.185   70.327  5.9522  72.057  4.6104  -1.730286      7.528893 
1 1 1 -11 -32 38 o 74.194  3.6136  672.480    65.054   662.655    104.467  678.704    83.143   72.992  5.9503  74.231  4.6394  -1.238937      7.545144 
1 1 1 -11 -32 39 o 84.636  3.6273  875.556    74.491   950.803    118.405  826.265    95.832   87.580  5.6012  81.843  4.8473  5.736771       7.407439 
1 1 1 -11 -32 40 o 23.404  5.9091  70.450     33.562   57.954     61.415   75.771     40.075   23.230  8.4356  24.274  6.6209  -1.043798      10.72362 
1 1 1 -11 -32 41 o 138.483 4.1010  2351.86    137.801  2335.98    209.638  2363.96    182.857  137.016 6.3057  138.271 5.4502  -1.255890      8.334711 
1 1 1 -11 -32 42 o 67.460  5.4787  566.890    88.905   550.602    141.130  577.607    114.474  64.985  9.2080  67.518  7.0936  -2.532639      11.62353 
1 1 1 -11 -32 43 o 50.292  5.9240  318.561    70.904   376.560    116.129  284.089    89.530   53.443  9.2928  46.683  8.2034  6.760338       12.39559 
1 1 1 -11 -32 44 o 15.905  6.6869  6.1185     43.790   41.818     80.616   -8.8234    52.155   23.442  9.3707  16.046  7.0255  7.396294       11.71184 
1 1 1 -11 -32 45 o 45.956  4.3508  262.208    47.937   249.068    81.493   269.160    59.278   43.645  7.9897  46.294  5.3774  -2.648880      9.630782 
1 1 1 -11 -32 46 o 45.539  4.7343  258.705    51.547   379.802    88.037   195.533    63.586   54.578  6.7950  38.860  7.0012  15.71859       9.756498 
1 1 1 -11 -32 47 o 45.795  4.6644  261.518    51.106   340.323    89.820   223.792    62.146   51.355  7.4237  41.846  6.3174  9.508904       9.747895 
1 1 1 -11 -32 48 o 63.948  4.0947  505.199    63.202   598.489    109.156  458.152    77.517   68.673  6.6334  60.503  5.3349  8.170612       8.512517 
1 1 1 -11 -32 49 o 38.746  7.0699  195.410    64.017   211.791    121.383  189.098    75.347   38.943  11.815  37.628  8.4583  1.314308       14.53030 
1 1 1 -11 -32 50 f 52.577  6.1683  351.565    77.196   206.692    142.451  411.798    91.853   38.460  12.923  56.682  6.8152  -18.22219      14.61032 
1 1 1 -11 -32 51 f 46.321  6.5036  275.857    71.082   405.328    136.057  227.251    83.364   54.056  10.752  41.120  8.6304  12.93596       13.78702 
1 1 1 -11 -32 52 o 67.820  4.2073  570.684    68.893   481.775    120.573  613.781    83.946   60.282  8.4775  70.041  4.9718  -9.758633      9.827832 
1 1 1 -11 -32 53 o 17.428  6.6146  29.197     38.549   17.110     81.519   32.678     43.749   21.398  9.0667  18.453  7.0363  2.945192       11.47673 
1 1 1 -11 -32 54 o 19.484  6.8575  44.279     40.246   118.291    84.932   22.848     45.703   29.712  9.9789  17.602  7.0487  12.10936       12.21730 
1 1 1 -11 -32 55 f 16.956  6.5616  25.895     38.432   -56.8277   83.443   48.167     43.298   17.541  8.1485  20.192  7.1120  -2.650885      10.81569 
1 1 1 -11 -32 56 o 57.552  4.9298  418.302    68.177   513.810    114.612  366.000    84.814   62.129  7.7728  52.903  6.7619  9.225918       10.30247 
1 1 1 -11 -32 57 o 82.468  4.5821  853.405    91.327   966.319    164.688  803.261    109.748  84.908  8.0916  79.256  5.7460  5.652100       9.924237 
1 1 1 -11 -32 58 o 59.012  6.5949  455.559    92.816   435.763    140.048  471.064    123.945  54.434  10.982  58.254  9.0635  -3.819588      14.23911 
1 1 1 -11 -32 59 o 27.614  11.621  66.606     132.459  66.606     132.459  0.0000     0.0000   27.614  11.621  ?       ?       0.000000       11.62096 
1 1 1 -11 -32 60 o 60.828  7.0404  489.545    101.991  520.583    181.147  475.140    123.411  57.086  13.321  58.470  8.9864  -1.383404      16.06882 
1 1 1 -11 -32 61 o 44.403  6.2864  258.296    65.837   241.399    133.796  263.694    75.627   39.200  12.487  44.338  7.2826  -5.137547      14.45547 
1 1 1 -11 -32 62 o 28.204  8.1967  109.885    59.438   -27.7595   126.692  148.732    67.305   22.909  10.418  32.613  8.4402  -9.703802      13.40771 
1 1 1 -11 -32 63 o 66.522  5.2475  563.833    84.012   472.482    166.036  595.270    97.401   54.887  12.716  67.891  5.9735  -13.00432      14.04956 
1 1 1 -11 -32 64 o 18.633  8.6281  -49.9963   92.446   43.074     259.556  -63.5182   98.934   32.032  14.696  18.791  8.7770  13.24060       17.11774 
1 1 1 -11 -32 65 o 19.776  8.8310  -9.6983    86.417   -262.2937  263.669  20.700     91.469   25.638  12.559  21.937  9.4563  3.700556       15.72069 
1 1 1 -11 -31 1  o 42.172  4.5656  220.906    45.972   266.379    66.706   179.769    63.445   45.966  6.1339  37.318  7.2682  8.647900       9.510591 
1 1 1 -11 -31 2  o 135.710 4.2071  2256.44    138.534  2258.52    201.890  2254.59    190.445  135.018 6.1625  135.056 5.8116  -0.3767395E-01 8.470591 
1 1 1 -11 -31 3  o 189.223 5.4861  4411.65    251.886  4274.46    427.827  4484.44    311.621  183.108 9.6636  190.024 6.7586  -6.915970      11.79249 
1 1 1 -11 -31 4  o 55.932  4.0315  384.433    54.346   338.887    79.229   424.904    74.685   51.971  6.4193  58.554  5.3146  -6.582962      8.333781 
1 1 1 -11 -31 5  o 109.295 3.9550  1459.29    104.883  1501.61    152.743  1421.53    144.273  110.310 5.7264  107.373 5.5567  2.936646       7.979229 
1 1 1 -11 -31 6  o 127.702 4.1043  1992.21    127.175  1957.10    183.757  2024.48    176.188  126.076 6.0068  128.334 5.6581  -2.257774      8.252036 
1 1 1 -11 -31 7  o 69.361  3.9632  589.060    66.424   537.834    95.375   637.307    92.562   65.860  6.0354  71.894  5.3443  -6.034439      8.061527 
1 1 1 -11 -31 8  o 55.991  4.1495  384.729    55.973   377.862    80.138   391.270    78.212   55.123  6.0935  56.161  5.8241  -1.038624      8.429193 
1 1 1 -11 -31 9  o 55.279  4.7072  376.106    62.536   341.052    79.504   432.986    101.275  52.292  6.3996  58.808  7.2510  -6.516560      9.671172 
1 1 1 -11 -31 10 o 146.973 6.2086  2652.16    221.410  2504.54    340.409  2760.40    291.493  141.173 10.002  149.121 8.0863  -7.948578      12.86226 
1 1 1 -11 -31 11 o 32.399  8.5649  134.730    68.354   177.289    129.836  118.411    80.399   37.846  12.324  30.893  9.6592  6.952793       15.65860 
1 1 1 -11 -31 12 f 123.627 5.8411  1871.86    175.217  1921.61    274.440  1837.62    227.655  124.089 9.1800  121.825 7.7417  2.263405       12.00860 
1 1 1 -11 -31 13 o 91.800  9.3246  1055.90    204.817  1055.90    204.817  0.0000     0.0000   91.800  9.3246  ?       ?       0.000000       9.324553 
1 1 1 -11 -31 14 o 105.302 9.3214  1384.99    235.706  1384.99    235.706  0.0000     0.0000   105.302 9.3214  ?       ?       0.000000       9.321375 
1 1 1 -11 -31 15 o 212.458 7.3139  5548.38    377.039  5554.16    554.935  5543.43    513.858  210.651 10.894  211.158 10.029  -0.5076904     14.80795 
1 1 1 -11 -31 16 o 108.699 5.5830  1447.88    146.753  1325.23    234.324  1527.04    188.242  103.004 9.4820  111.326 7.0045  -8.322029      11.78862 
1 1 1 -11 -31 17 o 97.527  3.7789  1157.81    89.425   1259.17    132.008  1071.84    121.568  101.393 5.3851  93.525  5.3797  7.867554       7.611866 
1 1 1 -11 -31 18 o 46.275  4.2533  263.057    47.222   302.611    74.454   236.437    61.080   49.315  6.3711  43.579  5.9304  5.736370       8.704090 
1 1 1 -11 -31 19 o 86.005  3.7469  900.262    78.192   942.948    116.637  865.419    105.378  87.689  5.5099  84.044  5.1930  3.645142       7.571362 
1 1 1 -11 -31 20 o 77.871  3.7836  738.056    71.489   800.427    107.683  688.902    95.595   80.762  5.5284  74.935  5.2916  5.827095       7.652734 
1 1 1 -11 -31 21 o 37.764  4.7913  176.656    42.916   188.441    68.132   168.906    55.255   38.517  7.5600  36.614  6.4554  1.902496       9.941130 
1 1 1 -11 -31 22 o 81.489  3.9134  808.406    77.377   851.424    117.622  775.588    102.736  83.249  5.8604  79.521  5.3557  3.727943       7.938956 
1 1 1 -11 -31 23 o 94.059  4.4675  1078.21    101.959  1191.39    134.114  923.227    156.948  98.584  5.6300  86.356  7.5666  12.22856       9.431352 
1 1 1 -11 -31 24 o 58.350  6.8878  423.164    95.639   0.0000     0.0000   423.164    95.639   ?       ?       58.350  6.8878  0.000000       6.887826 
1 1 1 -11 -31 25 o 93.428  4.6299  1064.30    104.957  0.0000     0.0000   1064.30    104.957  ?       ?       93.428  4.6299  0.000000       4.629860 
1 1 1 -11 -31 26 o 108.701 6.7291  1454.37    176.610  0.0000     0.0000   1454.37    176.610  ?       ?       108.701 6.7291  0.000000       6.729117 
1 1 1 -11 -31 27 o 207.833 6.8286  5300.34    344.357  5751.21    506.758  4913.55    469.377  215.255 9.7025  198.953 9.7231  16.30200       13.73600 
1 1 1 -11 -31 28 f 110.061 5.0672  1479.18    135.321  1452.13    206.348  1499.58    179.247  108.274 7.9091  110.348 6.7267  -2.074394      10.38282 
1 1 1 -11 -31 29 o 96.799  4.9688  1147.12    116.310  1024.95    178.180  1237.83    153.533  90.768  8.1781  100.285 6.3423  -9.516510      10.34920 
1 1 1 -11 -31 30 o 114.643 3.6851  1600.53    102.507  1714.02    155.098  1512.51    136.594  118.383 5.3995  111.261 5.0597  7.122162       7.399629 
1 1 1 -11 -31 31 o 18.575  5.9076  41.500     29.956   -15.4590   52.394   69.161     36.512   15.794  6.9741  23.350  6.2993  -7.555558      9.397788 
1 1 1 -11 -31 32 o 139.398 3.9895  2369.10    134.940  2393.08    202.343  2349.90    181.088  139.677 5.9703  138.552 5.3866  1.125107       8.041152 
1 1 1 -11 -31 33 f 45.593  3.9677  255.397    43.456   201.749    72.523   285.449    54.279   39.726  7.8022  48.105  4.7107  -8.378693      9.113998 
1 1 1 -11 -31 34 o 49.657  3.8229  302.450    45.707   355.087    75.166   271.566    57.576   53.462  5.8923  46.818  5.1536  6.643787       7.828102 
1 1 1 -11 -31 35 f 65.263  3.6408  520.933    57.424   520.544    91.623   521.184    73.694   64.821  5.8896  65.106  4.6965  -0.2850571     7.532907 
1 1 1 -11 -31 36 o 122.394 3.8244  1828.28    113.576  2011.72    173.511  1690.75    150.234  127.958 5.5885  117.387 5.2745  10.57036       7.684516 
1 1 1 -11 -31 37 o 106.358 3.7475  1380.85    96.712   1295.12    149.360  1442.73    126.908  102.333 6.0421  108.497 4.8207  -6.164558      7.729528 
1 1 1 -11 -31 38 o 57.306  3.7559  402.757    51.937   407.790    85.749   399.841    65.271   57.118  6.2915  56.909  4.7709  0.2086906      7.895902 
1 1 1 -11 -31 39 o 189.876 4.7692  4424.74    219.724  4437.71    325.836  4413.93    297.558  188.832 7.1115  188.718 6.4982  0.1141510      9.633283 
1 1 1 -11 -31 40 o 126.448 3.9718  1956.59    121.862  1972.91    186.469  1944.43    161.000  126.245 6.0874  125.641 5.2812  0.6042938      8.058959 
1 1 1 -11 -31 41 o 40.956  4.4628  208.227    43.632   229.323    71.893   195.926    54.898   42.281  7.2698  39.371  5.9307  2.909954       9.382072 
1 1 1 -11 -31 42 o 113.570 5.5932  1595.54    154.132  1569.98    232.992  1615.44    205.533  110.841 8.7340  113.174 7.5275  -2.333748      11.53022 
1 1 1 -11 -31 43 o 17.244  6.9334  18.654     44.419   -42.0431   79.931   45.773     53.428   18.192  8.2734  21.180  7.8393  -2.988480      11.39753 
1 1 1 -11 -31 44 o 52.785  5.8419  350.006    73.567   397.676    119.811  321.157    93.207   54.978  9.3139  49.811  7.9814  5.167431       12.26585 
1 1 1 -11 -31 45 o 49.499  4.2708  303.366    50.791   303.567    85.326   303.256    63.210   48.540  7.4854  49.202  5.3825  -0.6624146     9.219622 
1 1 1 -11 -31 46 o 16.393  6.4390  20.598     37.444   32.422     69.394   15.741     44.474   21.551  8.6658  16.921  6.8894  4.629555       11.07073 
1 1 1 -11 -31 47 o 61.279  4.1154  463.594    60.836   493.550    104.529  448.249    74.813   62.236  7.0461  59.945  5.1948  2.291248       8.754058 
1 1 1 -11 -31 48 f 65.342  4.0820  526.917    64.395   568.456    110.418  505.507    79.272   66.862  6.9056  63.668  5.1762  3.193626       8.630142 
1 1 1 -11 -31 49 o 47.478  5.5837  284.163    63.095   318.336    94.856   257.044    84.499   49.290  8.2208  44.202  8.1798  5.087582       11.59704 
1 1 1 -11 -31 50 o 86.958  5.5383  945.789    116.247  994.638    202.389  921.740    142.008  86.518  9.8145  85.122  6.9358  1.395721       12.01791 
1 1 1 -11 -31 51 o 55.462  5.8716  389.109    77.814   325.824    142.667  415.907    92.839   47.688  12.261  56.952  6.8560  -9.264061      14.04801 
1 1 1 -11 -31 52 o 104.294 4.0546  1341.50    102.606  1443.31    170.095  1283.26    128.649  106.572 6.6105  101.324 5.2508  5.248039       8.442081 
1 1 1 -11 -31 53 o 53.169  4.4951  352.807    57.448   403.322    106.892  332.290    68.123   55.196  8.2331  51.208  5.5726  3.987526       9.941715 
1 1 1 -11 -31 54 o 15.182  6.3003  9.6539     38.129   96.858     83.042   -13.6427   42.921   27.756  9.8416  13.987  6.2363  13.76924       11.65109 
1 1 1 -11 -31 55 o 58.514  4.4920  428.155    63.291   401.889    117.200  438.968    75.198   54.207  9.2421  58.906  5.3186  -4.698383      10.66319 
1 1 1 -11 -31 56 o 24.755  7.0677  81.544     44.553   97.349     94.000   76.965     50.597   28.046  10.395  24.235  7.6746  3.810932       12.92081 
1 1 1 -11 -31 57 o 45.870  5.9114  271.615    64.262   320.591    130.620  255.975    73.813   46.325  11.636  43.907  7.1764  2.417679       13.67110 
1 1 1 -11 -31 58 o 86.366  5.8260  954.479    121.374  992.784    175.750  919.551    167.822  85.583  8.5789  82.407  8.5159  3.175690       12.08787 
1 1 1 -11 -31 59 o 47.021  7.7131  298.219    84.948   205.103    139.048  353.669    107.300  36.571  12.754  50.347  9.1192  -13.77599      15.67856 
1 1 1 -11 -31 60 o 66.998  6.9206  589.857    110.883  616.664    190.798  576.186    136.255  63.037  12.909  64.644  8.9248  -1.607277      15.69342 
1 1 1 -11 -31 61 o 62.754  5.6338  504.638    84.870   420.838    192.722  524.799    94.530   49.672  14.846  63.654  6.1990  -13.98250      16.08844 
1 1 1 -11 -31 62 o 25.893  8.1620  90.421     57.279   129.718    131.452  81.211     63.638   31.382  12.138  25.024  8.6336  6.357864       14.89503 
1 1 1 -11 -31 63 o 71.624  5.1722  651.218    89.282   676.608    174.568  642.224    103.899  68.218  10.914  70.500  6.1350  -2.281898      12.52043 
1 1 1 -11 -31 64 o 44.756  10.289  292.916    109.395  359.849    308.924  283.319    116.975  42.865  17.873  43.415  11.070  -0.5498962     21.02341 
1 1 1 -11 -31 65 o 53.285  9.5879  406.191    119.405  904.363    300.591  312.855    130.111  67.959  17.959  44.790  11.805  23.16880       21.49139 
1 1 1 -11 -30 1  o 75.944  3.9044  706.913    71.703   725.240    105.961  691.432    97.388   76.476  5.7524  74.758  5.4053  1.717773       7.893497 
1 1 1 -11 -30 2  o 106.028 3.9289  1373.64    101.078  1326.14    147.771  1415.41    138.565  103.556 5.9055  107.310 5.3217  -3.754181      7.949525 
1 1 1 -11 -30 3  o 35.374  5.1122  156.566    42.606   154.460    61.436   158.518    59.139   34.626  7.5272  35.155  7.1758  -0.5291023     10.39956 
1 1 1 -11 -30 4  o 61.475  3.9518  463.167    58.633   499.609    85.664   431.047    80.423   63.542  5.6139  58.970  5.6914  4.572163       7.994257 
1 1 1 -11 -30 5  o 121.355 4.0242  1797.15    118.495  1829.26    172.074  1768.19    163.417  122.049 5.8105  120.044 5.6104  2.005341       8.077031 
1 1 1 -11 -30 6  o 83.635  3.8576  852.828    78.283   847.070    113.589  858.037    108.038  82.926  5.6794  83.532  5.3587  -0.6062851     7.808409 
1 1 1 -11 -30 7  o 197.904 4.9219  4787.16    236.346  4811.93    338.376  4763.56    330.260  197.643 7.0559  196.704 6.9196  0.9387817      9.882633 
1 1 1 -11 -30 8  o 127.296 4.0822  1975.34    126.089  1992.96    181.793  1959.00    175.034  127.537 5.8745  126.482 5.7033  1.055374       8.187696 
1 1 1 -11 -30 9  o 50.895  4.2410  317.933    51.896   315.975    74.440   319.784    72.388   50.404  6.2185  50.755  5.9937  -0.3503380     8.636744 
1 1 1 -11 -30 10 o 81.302  3.7957  804.831    74.878   802.906    108.538  806.581    103.435  80.849  5.5667  81.084  5.2863  -0.2344971     7.676769 
1 1 1 -11 -30 11 f 58.265  4.6322  416.541    64.947   415.041    82.987   418.912    104.332  57.941  5.9893  57.886  7.6128  0.5463791E-01  9.686357 
1 1 1 -11 -30 12 f 138.677 5.8964  2351.69    198.407  2351.69    198.407  0.0000     0.0000   138.677 5.8964  ?       ?       0.000000       5.896440 
1 1 1 -11 -30 13 o 135.619 9.2720  2283.58    303.283  2283.58    303.283  0.0000     0.0000   135.619 9.2720  ?       ?       0.000000       9.272046 
1 1 1 -11 -30 14 o 95.216  5.6655  1111.28    130.301  1001.24    206.383  1184.22    168.024  89.469  9.6601  98.020  7.1131  -8.550819      11.99644 
1 1 1 -11 -30 15 o 66.707  5.6483  547.250    90.565   792.893    160.077  431.610    109.832  79.840  8.3885  58.758  7.9042  21.08162       11.52576 
1 1 1 -11 -30 16 o 161.829 6.1757  3201.96    242.498  3576.95    364.932  2905.45    324.504  170.126 8.8712  153.319 8.7592  16.80734       12.46690 
1 1 1 -11 -30 17 o 144.701 5.8954  2557.97    206.989  2861.19    315.414  2328.60    274.322  152.220 8.5747  137.364 8.2690  14.85591       11.91226 
1 1 1 -11 -30 18 o 163.251 5.0738  3249.82    200.979  3739.66    366.388  3038.99    240.370  174.277 8.6644  157.654 6.2837  16.62341       10.70306 
1 1 1 -11 -30 19 o 61.011  3.9088  454.800    57.561   515.182    88.969   411.328    75.490   64.708  5.7256  57.807  5.4462  6.901005       7.902121 
1 1 1 -11 -30 20 f 35.249  4.8615  154.257    40.473   122.980    65.662   173.421    51.398   31.115  8.4699  37.237  5.8842  -6.121250      10.31328 
1 1 1 -11 -30 21 o 44.898  4.2865  247.650    46.130   243.026    72.112   250.853    60.016   44.021  6.9844  44.990  5.6204  -0.9683609     8.964983 
1 1 1 -11 -30 22 o 61.739  3.8969  465.653    58.079   545.386    89.229   407.041    76.503   66.616  5.5714  57.486  5.5538  9.129860       7.866758 
1 1 1 -11 -30 23 f 159.312 8.3691  3130.07    322.381  0.0000     0.0000   3130.07    322.381  ?       ?       159.312 8.3691  0.000000       8.369121 
1 1 1 -11 -30 24 o 139.760 5.3452  2383.29    181.262  0.0000     0.0000   2383.29    181.262  ?       ?       139.760 5.3452  0.000000       5.345159 
1 1 1 -11 -30 25 o 157.677 5.6912  3036.15    217.740  0.0000     0.0000   3036.15    217.740  ?       ?       157.677 5.6912  0.000000       5.691220 
1 1 1 -11 -30 26 o 64.525  3.7306  508.255    58.159   479.458    102.927  521.763    70.492   62.181  6.9404  65.292  4.4765  -3.111649      8.258801 
1 1 1 -11 -30 27 o 85.325  4.7999  890.350    98.971   971.515    152.316  831.042    130.203  88.730  7.1350  82.129  6.5891  6.601006       9.712132 
1 1 1 -11 -30 28 o 140.653 5.5690  2416.42    190.058  2174.73    284.045  2612.34    255.743  132.461 8.8891  145.908 7.2237  -13.44666      11.45419 
1 1 1 -11 -30 29 o 123.448 5.1639  1860.05    154.675  2217.27    235.562  1589.30    205.080  134.198 7.2613  113.496 7.4891  20.70177       10.43132 
1 1 1 -11 -30 30 o 57.023  5.1819  400.216    70.915   354.977    115.815  427.351    89.697   52.800  9.3838  58.728  6.3981  -5.928471      11.35741 
1 1 1 -11 -30 31 o 82.331  3.5803  824.993    71.524   697.480    111.218  914.919    93.399   75.224  6.1470  86.512  4.4646  -11.28770      7.597314 
1 1 1 -11 -30 32 o 47.187  3.9833  273.189    45.180   275.983    73.041   271.458    57.500   46.983  6.5883  46.862  5.1413  0.1201591      8.356985 
1 1 1 -11 -30 33 o 123.931 3.8524  1871.23    115.844  1781.94    174.829  1941.12    154.672  120.580 5.9755  126.031 5.0579  -5.450890      7.828697 
1 1 1 -11 -30 34 o 191.984 4.7625  4502.69    221.853  4266.83    326.056  4706.01    302.734  186.055 7.2225  195.736 6.3742  -9.681763      9.633022 
1 1 1 -11 -30 35 o 79.282  3.5873  765.822    69.010   759.510    108.446  770.118    89.460   78.494  5.7336  79.252  4.6729  -0.7581711     7.396599 
1 1 1 -11 -30 36 o 118.985 3.8103  1726.52    110.006  1726.57    167.897  1726.49    145.614  118.574 5.8356  118.751 5.0536  -0.1762390     7.719711 
1 1 1 -11 -30 37 o 58.594  3.7212  420.431    52.631   472.538    86.285   389.556    66.419   61.740  5.8288  56.192  4.9209  5.547199       7.628223 
1 1 1 -11 -30 38 o 32.507  6.2217  134.465    47.286   191.247    65.733   73.572     68.072   38.680  7.2707  25.507  8.9220  13.17354       11.50935 
1 1 1 -11 -30 39 o 107.351 3.7509  1407.14    97.703   1498.68    151.216  1341.55    128.010  110.195 5.6748  104.548 5.0462  5.646347       7.593888 
1 1 1 -11 -30 40 o 70.632  3.7259  611.093    63.629   672.993    102.073  571.752    81.375   73.663  5.7566  68.060  4.9617  5.602310       7.599796 
1 1 1 -11 -30 41 o 78.897  3.6767  760.661    70.386   922.378    112.339  656.149    90.310   86.365  5.3877  72.853  5.1419  13.51115       7.447543 
1 1 1 -11 -30 42 o 23.682  6.3042  72.036     36.866   106.701    63.555   54.457     45.258   28.787  8.5075  21.533  7.2841  7.253826       11.19978 
1 1 1 -11 -30 43 o 41.971  6.4051  223.711    63.162   251.964    104.509  207.452    79.280   43.430  10.107  39.791  8.4711  3.638172       13.18771 
1 1 1 -11 -30 44 o 35.899  7.1856  166.880    60.406   76.987     98.915   220.342    76.282   27.761  10.581  41.155  7.9265  -13.39384      13.22105 
1 1 1 -11 -30 45 o 94.665  5.4395  1112.82    124.418  1148.37    190.774  1086.51    164.126  94.701  8.3891  92.659  7.3607  2.042671       11.16053 
1 1 1 -11 -30 46 o 70.185  3.7780  605.448    64.101   694.747    106.381  554.543    80.320   74.517  5.9327  66.836  4.9887  7.681267       7.751390 
1 1 1 -11 -30 47 f 29.968  5.9438  115.479    41.694   44.951     79.196   142.522    49.040   23.559  9.3291  33.279  6.3039  -9.720045      11.25924 
1 1 1 -11 -30 48 o 65.034  4.0849  521.643    64.133   557.802    112.337  504.160    78.113   66.204  7.1043  63.640  5.1015  2.563480       8.746199 
1 1 1 -11 -30 49 o 60.399  4.2283  450.983    61.575   467.492    110.797  443.606    74.067   60.223  7.7630  59.627  5.1705  0.5960770      9.327323 
1 1 1 -11 -30 50 o 65.032  5.7468  530.998    89.748   561.274    163.240  517.881    107.444  64.290  10.851  63.674  7.0738  0.6157303      12.95294 
1 1 1 -11 -30 51 o 24.789  8.0206  77.588     55.037   105.069    104.557  67.056     64.730   29.875  10.983  24.179  8.6766  5.695923       13.99638 
1 1 1 -11 -30 52 o 60.589  4.2900  455.279    62.661   625.512    115.612  384.472    74.562   69.948  6.9018  55.205  5.6459  14.74358       8.916902 
1 1 1 -11 -30 53 o 44.890  4.9348  253.328    52.863   39.358     102.799  330.251    61.638   24.957  10.350  51.292  5.0168  -26.33537      11.50163 
1 1 1 -11 -30 54 o 25.268  6.9538  84.218     43.976   313.235    93.092   18.432     49.894   48.522  8.1992  17.793  7.2768  30.72874       10.96259 
1 1 1 -11 -30 55 o 44.762  5.1128  253.514    54.534   301.695    106.262  236.288    63.540   46.670  9.7004  42.741  6.3172  3.928581       11.57606 
1 1 1 -11 -30 56 o 44.045  5.1843  246.338    54.345   216.770    107.499  256.489    62.986   38.726  10.951  44.645  5.9635  -5.919529      12.46986 
1 1 1 -11 -30 57 o 17.063  7.1576  11.402     49.986   37.744     110.291  4.5919     56.075   25.006  10.568  17.356  7.4414  7.650133       12.92499 
1 1 1 -11 -30 58 o 34.501  7.3950  160.619    60.045   28.636     128.366  197.586    67.935   25.746  11.150  38.269  7.5842  -12.52273      13.48500 
1 1 1 -11 -30 59 o 58.605  5.2681  436.837    74.112   446.715    149.758  433.633    85.287   54.796  11.624  57.906  6.1650  -3.109722      13.15753 
1 1 1 -11 -30 60 o 22.712  8.8260  53.232     69.760   160.134    149.478  23.465     78.877   33.794  12.977  21.247  8.9560  12.54665       15.76774 
1 1 1 -11 -30 61 o 25.065  9.3164  75.396     75.616   49.687     163.262  82.417     85.318   28.730  12.508  26.187  9.8638  2.543516       15.92975 
1 1 1 -11 -30 62 o 37.008  7.2448  183.941    62.727   15.079     137.986  227.926    70.424   25.723  11.340  41.269  7.2999  -15.54671      13.48629 
1 1 1 -11 -30 63 o 30.169  8.0306  125.340    59.825   182.831    140.795  112.674    66.088   35.142  12.771  28.581  8.7282  6.561251       15.46844 
1 1 1 -11 -30 64 o 34.867  10.967  179.780    103.474  280.208    298.289  166.042    110.324  40.572  17.273  33.627  11.373  6.945087       20.68074 
1 1 1 -11 -30 65 f 27.999  10.232  104.207    90.567   8.5767     324.355  112.294    94.318   33.351  15.678  28.783  10.454  4.567900       18.84343 
1 1 1 -11 -29 1  o 153.522 4.3571  2882.02    162.307  2900.83    235.508  2865.00    223.997  153.356 6.3291  152.513 6.0530  0.8432465      8.757615 
1 1 1 -11 -29 2  o 117.362 3.9681  1681.06    112.999  1772.44    164.983  1600.32    155.087  120.140 5.6596  114.173 5.5982  5.967369       7.960601 
1 1 1 -11 -29 3  o 13.061  5.5535  0.3809     30.763   -6.2665    41.433   8.5467     45.922   14.538  6.3155  16.626  6.9081  -2.087592      9.359878 
1 1 1 -11 -29 4  o 112.131 3.9437  1532.94    107.299  1518.82    156.173  1545.57    147.671  111.146 5.8111  112.347 5.4172  -1.200378      7.944477 
1 1 1 -11 -29 5  o 125.658 4.0429  1924.78    123.268  1978.58    178.175  1875.40    170.718  127.088 5.7780  123.749 5.6856  3.338997       8.106238 
1 1 1 -11 -29 6  o 161.920 4.4065  3197.43    173.126  3215.38    248.511  3180.50    241.323  161.928 6.3250  161.088 6.1741  0.8402252      8.838787 
1 1 1 -11 -29 7  o 136.082 4.1404  2256.24    136.712  2147.30    196.758  2357.92    190.093  132.423 6.1236  138.862 5.6418  -6.439728      8.326361 
1 1 1 -11 -29 8  o 22.890  6.3759  66.021     36.726   87.986     51.711   43.665     52.168   26.461  7.6326  21.092  7.7570  5.368818       10.88243 
1 1 1 -11 -29 9  o 161.118 4.3871  3162.68    171.507  3174.95    246.247  3151.12    239.010  161.069 6.3008  160.499 6.1373  0.5698242      8.795817 
1 1 1 -11 -29 10 o 39.955  5.5324  198.557    52.195   181.990    65.794   226.687    85.734   37.875  7.4246  42.149  8.6724  -4.273502      11.41641 
1 1 1 -11 -29 11 o 86.261  5.5362  911.990    115.265  911.990    115.265  0.0000     0.0000   86.261  5.5362  ?       ?       0.000000       5.536237 
1 1 1 -11 -29 12 o 50.580  6.1662  317.201    74.110   317.201    74.110   0.0000     0.0000   50.580  6.1662  ?       ?       0.000000       6.166203 
1 1 1 -11 -29 13 o 29.248  5.9516  108.233    40.801   127.908    57.556   88.358     57.848   31.672  7.5888  26.769  8.1639  4.903757       11.14630 
1 1 1 -11 -29 14 o 71.475  4.3006  624.129    74.237   650.178    96.905   587.125    115.499  72.795  5.5276  68.909  7.0053  3.886314       8.923448 
1 1 1 -11 -29 15 f 134.043 5.7030  2192.68    185.484  2680.51    285.758  1837.49    243.831  147.576 8.0103  122.040 8.2833  25.53545       11.52291 
1 1 1 -11 -29 16 o 115.929 5.5300  1639.40    155.555  1641.40    244.079  1638.04    201.862  115.200 8.7985  115.436 7.2436  -0.2360153     11.39666 
1 1 1 -11 -29 17 o 65.335  5.6117  524.534    88.099   664.928    156.970  459.973    106.445  72.971  9.0605  60.854  7.3584  12.11656       11.67218 
1 1 1 -11 -29 18 o 315.781 8.3873  12246.86   642.643  22223.25   927.769  3045.30    891.013  424.990 8.9970  148.683 25.623  276.3075       27.15654 
1 1 1 -11 -29 19 o 31.650  7.5479  127.621    57.151   137.169    124.377  125.065    64.347   34.823  12.067  31.366  8.3188  3.457418       14.65637 
1 1 1 -11 -29 20 o 127.220 3.9679  1968.93    122.484  2311.73    178.038  1660.89    168.771  137.699 5.3286  116.490 5.9912  21.20895       8.018076 
1 1 1 -11 -29 21 o 62.485  3.8380  476.676    57.908   669.389    89.160   336.072    76.158   73.953  4.9981  52.108  6.1414  21.84482       7.918241 
1 1 1 -11 -29 22 o 54.149  4.5364  359.490    59.054   0.0000     0.0000   359.490    59.054   ?       ?       54.149  4.5364  0.000000       4.536448 
1 1 1 -11 -29 23 o 59.920  6.8202  444.684    97.392   0.0000     0.0000   444.684    97.392   ?       ?       59.920  6.8202  0.000000       6.820204 
1 1 1 -11 -29 24 o 130.663 5.2244  2081.34    165.635  0.0000     0.0000   2081.34    165.635  ?       ?       130.663 5.2244  0.000000       5.224382 
1 1 1 -11 -29 25 o 133.241 3.9270  2159.83    126.958  2328.01    194.459  2034.88    167.610  138.105 5.8030  129.177 5.3475  8.928177       7.891208 
1 1 1 -11 -29 26 o 70.463  3.4801  603.704    59.500   603.640    93.213   603.748    77.297   70.128  5.5227  70.264  4.5584  -0.1362915     7.160965 
1 1 1 -11 -29 27 o 27.754  5.4006  97.162     35.061   91.940     57.434   100.264    44.266   27.191  8.0996  28.076  6.6078  -0.8852806     10.45307 
1 1 1 -11 -29 28 o 46.798  5.3883  270.658    60.067   368.321    101.121  217.409    74.668   54.223  7.9195  41.450  7.7079  12.77291       11.05125 
1 1 1 -11 -29 29 o 83.749  4.9282  857.990    99.705   902.065    156.867  828.116    129.148  85.400  7.6514  82.013  6.5444  3.386292       10.06840 
1 1 1 -11 -29 30 o 41.811  5.9945  217.930    59.075   248.391    99.107   201.143    73.574   44.012  9.5546  39.783  7.9005  4.229000       12.39790 
1 1 1 -11 -29 31 o 157.786 5.8897  3043.33    225.489  3079.06    338.178  3014.73    302.565  157.721 8.8728  156.350 8.0023  1.371689       11.94834 
1 1 1 -11 -29 32 o 22.422  5.9600  63.653     32.982   119.576    57.007   35.517     40.436   30.596  7.6882  18.809  6.8426  11.78680       10.29228 
1 1 1 -11 -29 33 o 137.262 3.9770  2294.72    132.454  2270.43    198.825  2314.09    177.603  136.192 6.0167  137.629 5.3183  -1.437042      8.030261 
1 1 1 -11 -29 34 o 154.836 4.1820  2922.16    157.116  3016.42    234.044  2844.83    211.982  156.890 6.1481  152.462 5.7302  4.427643       8.404412 
1 1 1 -11 -29 35 o 122.411 3.8599  1825.75    114.647  1788.48    173.858  1854.43    152.503  120.802 5.9314  123.171 5.1028  -2.368607      7.824327 
1 1 1 -11 -29 36 o 109.599 3.7517  1463.77    99.770   1393.80    153.401  1515.06    131.346  106.428 5.9643  111.336 4.8620  -4.907906      7.694949 
1 1 1 -11 -29 37 o 16.655  6.0699  27.822     31.840   33.634     55.618   24.989     38.833   20.378  7.8913  17.259  6.6177  3.118402       10.29885 
1 1 1 -11 -29 38 o 108.514 3.7481  1436.14    98.687   1556.49    152.006  1348.45    129.750  112.614 5.5630  104.915 5.0969  7.699005       7.544868 
1 1 1 -11 -29 39 o 149.055 4.1978  2714.98    151.822  2760.37    228.518  2679.11    203.135  149.624 6.2944  147.629 5.6709  1.995514       8.472199 
1 1 1 -11 -29 40 o 130.275 4.0119  2073.89    126.818  2004.59    192.778  2126.76    168.382  127.434 6.2346  131.581 5.2740  -4.147621      8.166090 
1 1 1 -11 -29 41 o 44.108  4.5220  240.811    47.713   215.837    77.195   256.250    60.694   40.873  8.0701  45.272  5.6480  -4.399136      9.850201 
1 1 1 -11 -29 42 o 64.272  3.8671  506.922    60.027   528.334    96.859   493.570    76.486   65.051  6.2120  63.168  5.0319  1.882893       7.994354 
1 1 1 -11 -29 43 o 13.301  5.9939  -19.7759   40.821   -9.3260    74.759   -24.2152   48.726   19.380  8.4502  14.461  6.5297  4.918731       10.67912 
1 1 1 -11 -29 44 o 40.694  6.5411  210.896    62.398   222.978    103.872  204.075    78.051   40.771  10.451  39.484  8.4048  1.287281       13.41139 
1 1 1 -11 -29 45 o 103.742 5.5731  1335.60    139.773  1276.11    212.993  1380.60    185.238  99.694  8.8986  104.630 7.3429  -4.935982      11.53702 
1 1 1 -11 -29 46 o 25.460  5.9967  83.695     36.435   -4.6505    68.397   118.698    43.052   18.756  8.1308  30.398  6.0497  -11.64248      10.13452 
1 1 1 -11 -29 47 o 61.357  4.1493  464.336    61.411   489.519    108.420  452.441    74.517   61.962  7.3550  60.299  5.1422  1.662956       8.974359 
1 1 1 -11 -29 48 o 45.406  4.5936  256.440    49.913   248.841    91.369   259.672    59.590   43.329  8.9854  45.452  5.5163  -2.122463      10.54359 
1 1 1 -11 -29 49 o 10.949  5.0961  -29.1069   32.885   -58.8357   68.706   -20.2727   37.453   15.739  7.3390  12.550  5.6905  3.189459       9.286665 
1 1 1 -11 -29 50 o 84.300  5.4716  886.065    111.314  1057.34    197.382  806.188    134.794  90.032  9.1631  79.689  7.0437  10.34254       11.55754 
1 1 1 -11 -29 51 o 43.991  6.5927  248.056    68.203   453.570    137.409  180.872    78.564   58.059  10.122  36.722  8.9083  21.33628       13.48389 
1 1 1 -11 -29 52 o 55.520  6.0576  390.336    80.280   383.237    146.601  393.376    95.944   52.173  11.850  55.211  7.3441  -3.038090      13.94165 
1 1 1 -11 -29 53 o 57.357  4.4128  408.895    60.942   397.432    114.115  413.468    72.082   54.625  8.9174  57.404  5.2326  -2.778938      10.33925 
1 1 1 -11 -29 54 o 72.629  4.1913  653.758    73.549   853.178    133.077  566.055    88.252   81.682  6.7757  67.063  5.4712  14.61852       8.708796 
1 1 1 -11 -29 55 o 86.452  4.1208  924.072    86.441   1000.25    150.569  886.619    105.573  88.095  7.1045  84.070  5.2010  4.024284       8.804726 
1 1 1 -11 -29 56 o 110.220 4.2444  1505.95    113.513  1539.86    191.404  1487.55    140.982  109.030 7.2769  108.873 5.3368  0.1566010      9.024074 
1 1 1 -11 -29 57 o 87.017  4.5467  945.528    95.665   1101.54    173.780  877.694    114.591  91.398  7.9142  83.147  5.7146  8.251015       9.761743 
1 1 1 -11 -29 58 o 70.484  4.8894  625.166    83.104   738.519    160.496  583.641    97.141   73.498  9.2013  67.488  5.9945  6.009583       10.98168 
1 1 1 -11 -29 59 o 64.465  5.1280  525.974    79.548   502.420    152.526  534.774    93.232   58.849  11.088  64.506  6.0265  -5.656296      12.62030 
1 1 1 -11 -29 60 o 31.000  9.3173  134.596    75.751   122.758    155.731  138.264    86.699   31.983  12.939  31.335  10.059  0.6478672      16.38936 
1 1 1 -11 -29 61 o 43.994  8.7489  267.400    90.105   363.528    171.643  230.832    105.865  47.332  13.979  39.683  10.735  7.648842       17.62529 
1 1 1 -11 -29 62 o 29.133  8.1864  116.435    60.268   4.5737     135.435  144.055    67.298   25.166  11.157  32.245  8.4861  -7.079489      14.01780 
1 1 1 -11 -29 63 o 13.572  6.2886  -35.7495   49.221   11.993     131.708  -43.4996   53.066   25.190  11.093  13.793  6.4375  11.39750       12.82592 
1 1 1 -11 -29 64 o 43.880  10.091  277.283    105.199  199.663    359.535  284.550    110.013  39.251  17.729  44.241  10.420  -4.990749      20.56436 
1 1 1 -11 -29 65 o 25.826  10.113  74.854     92.114   418.367    325.073  44.864     96.051   44.904  18.493  24.023  9.9869  20.88176       21.01765 
1 1 1 -11 -28 1  o 103.532 3.8544  1306.99    96.828   1288.91    141.495  1322.92    132.791  102.350 5.7204  103.800 5.2899  -1.449844      7.791443 
1 1 1 -11 -28 2  o 189.593 4.8170  4392.17    221.596  4398.12    319.222  4386.64    307.856  188.991 6.9612  188.840 6.7188  0.1516266      9.674747 
1 1 1 -11 -28 3  o 75.863  3.7909  701.047    69.780   606.400    101.849  784.780    95.797   70.087  6.0482  80.001  4.9595  -9.914116      7.821622 
1 1 1 -11 -28 4  o 60.545  3.9528  448.393    57.751   489.257    83.792   411.418    79.705   63.019  5.5359  57.707  5.7697  5.312447       7.996002 
1 1 1 -11 -28 5  o 12.524  5.4604  -6.1489    31.211   -38.5199   41.458   36.199     47.419   12.262  5.7120  19.723  7.3684  -7.461224      9.323086 
1 1 1 -11 -28 6  o 76.581  3.8580  715.618    71.458   714.355    102.664  716.805    99.523   76.274  5.5861  76.435  5.4010  -0.1609650     7.770169 
1 1 1 -11 -28 7  o 169.208 4.5030  3488.08    184.878  3489.36    265.549  3486.88    257.548  168.862 6.4811  168.845 6.2865  0.1698303E-01  9.029076 
1 1 1 -11 -28 8  o 131.033 4.0414  2089.68    128.492  2035.17    185.027  2140.46    178.575  129.078 5.9077  132.427 5.5575  -3.348663      8.110889 
1 1 1 -11 -28 9  o 210.348 5.8076  5401.90    296.412  5304.73    368.217  5580.79    499.613  208.071 7.2934  212.617 9.6844  -4.546188      12.12356 
1 1 1 -11 -28 10 o 209.944 7.2177  5397.66    367.674  5397.66    367.674  0.0000     0.0000   209.944 7.2177  ?       ?       0.000000       7.217664 
1 1 1 -11 -28 11 o 110.016 5.6003  1480.23    149.003  1480.23    149.003  0.0000     0.0000   110.016 5.6003  ?       ?       0.000000       5.600306 
1 1 1 -11 -28 12 o 183.639 4.6523  4106.45    207.297  4075.08    296.433  4136.46    289.998  182.578 6.6914  183.988 6.4959  -1.410202      9.325846 
1 1 1 -11 -28 13 o 176.160 4.5498  3777.89    194.473  4237.08    279.503  3346.97    270.760  186.287 6.1836  165.469 6.7438  20.81891       9.149604 
1 1 1 -11 -28 14 o 159.298 4.2944  3087.95    165.989  3290.45    238.762  2898.53    230.923  164.204 5.9926  154.087 6.1764  10.11696       8.605800 
1 1 1 -11 -28 15 o 74.659  3.6932  677.732    66.904   760.314    100.719  612.518    89.504   78.810  5.2979  70.704  5.2547  8.105606       7.461873 
1 1 1 -11 -28 16 o 78.497  5.3690  754.462    101.646  686.614    170.314  791.999    126.681  74.069  9.7105  80.258  6.5626  -6.188950      11.72011 
1 1 1 -11 -28 17 o 214.471 7.1649  5626.06    372.855  5957.36    545.382  5335.34    510.899  219.774 10.227  208.019 10.122  11.75485       14.38935 
1 1 1 -11 -28 18 o 83.782  5.3187  858.820    107.564  1096.10    175.614  716.352    136.077  94.297  7.7438  76.152  7.4602  18.14458       10.75272 
1 1 1 -11 -28 19 o 162.620 6.1115  3227.24    241.147  3546.55    358.514  2963.41    325.883  169.741 8.7343  155.132 8.6926  14.60880       12.32271 
1 1 1 -11 -28 20 o 161.400 6.1228  3179.06    239.784  3204.27    356.676  3158.27    323.899  161.204 9.1565  160.254 8.3588  0.9499969      12.39803 
1 1 1 -11 -28 21 o 72.673  4.4347  645.099    77.824   0.0000     0.0000   645.099    77.824   ?       ?       72.673  4.4347  0.000000       4.434683 
1 1 1 -11 -28 22 o 202.225 6.5778  4995.48    322.759  0.0000     0.0000   4995.48    322.759  ?       ?       202.225 6.5778  0.000000       6.577778 
1 1 1 -11 -28 23 o 85.247  4.5428  887.044    93.627   0.0000     0.0000   887.044    93.627   ?       ?       85.247  4.5428  0.000000       4.542812 
1 1 1 -11 -28 24 o 74.280  3.5245  670.735    63.523   780.476    104.183  605.794    80.144   79.838  5.4100  70.380  4.7204  9.457474       7.179841 
1 1 1 -11 -28 25 o 154.496 4.1219  2903.85    154.520  2739.77    226.996  3045.54    210.934  149.799 6.2452  158.050 5.5003  -8.250336      8.322010 
1 1 1 -11 -28 26 o 168.448 4.2953  3452.99    175.559  3552.34    257.970  3367.28    239.603  170.566 6.2332  166.112 5.9447  4.454117       8.613472 
1 1 1 -11 -28 27 o 179.798 4.4806  3935.30    195.473  3884.39    286.355  3979.73    267.491  178.273 6.6200  180.547 6.1059  -2.274017      9.005907 
1 1 1 -11 -28 28 o 107.178 3.6010  1396.77    93.646   1577.40    142.123  1258.18    124.493  113.764 5.1487  101.612 5.0494  12.15211       7.211439 
1 1 1 -11 -28 29 o 202.362 6.7637  5008.84    332.107  5091.09    487.526  4937.64    453.642  203.077 9.8940  200.182 9.3395  2.895782       13.60582 
1 1 1 -11 -28 30 f 203.860 6.8225  5085.59    337.475  5123.48    495.855  5052.89    460.614  203.603 10.037  202.432 9.3776  1.170639       13.73617 
1 1 1 -11 -28 31 o 123.919 5.3780  1873.45    161.704  1748.08    246.107  1968.69    214.504  118.891 8.5890  126.594 7.0106  -7.702995      11.08690 
1 1 1 -11 -28 32 o 161.715 5.9557  3195.79    233.693  3344.87    350.003  3075.86    313.917  164.521 8.7996  157.933 8.2202  6.588074       12.04177 
1 1 1 -11 -28 33 o 75.582  3.5912  695.001    65.859   718.846    104.310  679.193    84.928   76.504  5.6594  74.494  4.7230  2.010086       7.371297 
1 1 1 -11 -28 34 o 20.587  6.0854  52.626     32.515   -64.9204   57.300   108.454    39.489   13.822  6.5257  29.286  5.7624  -15.46327      8.705755 
1 1 1 -11 -28 35 o 48.534  3.9588  288.800    46.213   338.100    76.662   260.658    57.920   52.184  6.1742  45.889  5.2993  6.294697       8.136500 
1 1 1 -11 -28 36 o 85.006  3.6519  879.922    75.324   926.918    116.988  846.644    98.444   86.858  5.5805  83.118  4.9030  3.739769       7.428414 
1 1 1 -11 -28 37 o 181.089 4.5656  4003.87    200.609  4028.30    297.190  3983.43    271.902  180.955 6.7686  180.138 6.2208  0.8169556      9.193067 
1 1 1 -11 -28 38 o 99.067  3.7440  1196.29    89.996   1191.98    138.653  1199.43    118.302  98.392  5.8337  99.027  4.9235  -0.6349487     7.633725 
1 1 1 -11 -28 39 o 59.048  3.8501  427.107    54.861   495.821    88.646   384.453    69.842   63.271  5.8401  55.775  5.2215  7.495937       7.834004 
1 1 1 -11 -28 40 o 45.013  4.3876  250.036    47.312   280.996    74.740   229.335    61.116   47.252  6.7071  42.754  6.0610  4.497414       9.039963 
1 1 1 -11 -28 41 o 99.043  3.8078  1197.80    91.507   1120.96    142.463  1251.78    119.393  95.115  6.2069  101.043 4.8698  -5.927956      7.889308 
1 1 1 -11 -28 42 o 49.665  4.0458  303.597    48.332   314.851    82.563   297.730    59.614   49.896  7.0132  48.976  5.0910  0.9202995      8.666165 
1 1 1 -11 -28 43 o 23.372  6.2384  69.989     36.039   64.086     64.833   72.629     43.354   24.198  8.6835  23.927  7.0138  0.2712154      11.16225 
1 1 1 -11 -28 44 o 22.353  7.5651  58.838     48.818   21.042     85.103   77.374     59.598   22.598  9.3980  25.240  8.3564  -2.642374      12.57581 
1 1 1 -11 -28 45 o 15.070  6.5800  -7.6433    45.471   -37.9751   78.231   7.8326     55.880   18.203  8.2415  17.957  7.5520  0.2453594      11.17832 
1 1 1 -11 -28 46 o 59.030  5.7097  435.390    80.759   352.642    130.308  486.993    102.904  51.189  10.829  62.044  6.9552  -10.85495      12.87051 
1 1 1 -11 -28 47 o 57.096  4.2199  402.363    58.049   449.124    101.767  379.811    70.674   59.423  7.2054  55.179  5.3457  4.244484       8.971844 
1 1 1 -11 -28 48 o 19.967  6.7271  47.095     38.599   -53.0166   79.109   78.376     44.221   17.529  8.0685  24.669  7.0406  -7.140511      10.70841 
1 1 1 -11 -28 49 o 67.262  4.1110  557.569    66.771   523.074    117.456  574.039    81.161   63.892  7.7339  68.016  4.9519  -4.123344      9.183377 
1 1 1 -11 -28 50 o 25.635  6.6147  85.409     41.419   23.905     84.518   104.849    47.516   22.544  9.3698  28.339  6.9607  -5.795452      11.67235 
1 1 1 -11 -28 51 o 39.629  7.0322  203.242    65.143   51.814     131.708  252.283    74.953   28.324  11.728  44.181  7.2428  -15.85689      13.78436 
1 1 1 -11 -28 52 o 48.399  6.4547  298.832    73.912   145.725    145.703  351.883    85.767   34.610  12.919  52.404  6.9140  -17.79360      14.65256 
1 1 1 -11 -28 53 f 79.400  4.1440  778.937    79.561   818.364    139.694  760.008    96.793   79.923  7.2835  78.049  5.1398  1.873505       8.914441 
1 1 1 -11 -28 54 o 33.074  6.0693  141.436    46.912   8.8127     96.353   182.642    53.708   22.574  9.7183  37.689  6.0798  -15.11518      11.46340 
1 1 1 -11 -28 55 o 27.222  6.8991  97.999     45.627   114.464    94.493   92.993     52.104   29.892  10.509  26.512  7.6656  3.380287       13.00743 
1 1 1 -11 -28 56 o 64.424  4.5204  517.755    70.216   563.525    129.988  498.897    83.436   65.135  8.4221  62.809  5.5312  2.325165       10.07599 
1 1 1 -11 -28 57 o 61.754  4.5324  476.759    67.439   591.169    129.009  433.739    79.108   66.758  8.1324  58.409  5.6526  8.349148       9.903944 
1 1 1 -11 -28 58 o 54.385  5.6851  377.606    73.913   546.428    145.157  318.512    85.880   62.740  9.8604  49.044  7.4513  13.69684       12.35914 
1 1 1 -11 -28 59 o 79.297  4.7850  789.430    91.634   812.069    174.026  780.746    107.787  76.780  9.5474  78.303  5.7125  -1.523270      11.12588 
1 1 1 -11 -28 60 o 15.712  7.1971  -33.6675   61.912   65.444     139.317  -58.0577   69.111   28.337  11.921  15.546  7.2851  12.79054       13.97090 
1 1 1 -11 -28 61 o 25.021  9.0677  76.642     70.911   -315.5476  146.398  196.863    81.054   17.477  8.7024  37.538  9.0128  -20.06137      12.52843 
1 1 1 -11 -28 62 o 23.786  8.3457  70.302     59.583   -56.8338   137.273  99.815     66.138   22.983  10.597  27.256  8.7897  -4.272936      13.76799 
1 1 1 -11 -28 63 o 48.366  6.1892  302.938    70.968   376.674    159.488  284.734    79.246   49.171  13.123  46.322  7.2917  2.849236       15.01282 
1 1 1 -11 -28 64 o 25.275  9.9335  67.273     89.166   -77.0234   351.051  77.224     92.190   33.513  15.919  26.214  10.157  7.299496       18.88368 
1 1 1 -11 -28 65 o 29.822  10.423  122.718    92.888   -58.0809   331.096  138.164    96.775   32.777  15.537  31.228  10.651  1.549244       18.83757 
1 1 1 -11 -27 1  o 23.047  6.0352  67.462     34.149   74.031     48.174   60.826     48.415   24.457  7.4482  22.754  7.5316  1.703087       10.59243 
1 1 1 -11 -27 2  o 91.934  3.7915  1029.06    84.576   1085.30    123.476  979.352    116.084  94.082  5.4321  89.366  5.3786  4.716148       7.644354 
1 1 1 -11 -27 3  o 107.252 3.8808  1400.33    100.993  1341.32    146.807  1453.34    139.152  104.589 5.8077  109.108 5.2562  -4.518600      7.833080 
1 1 1 -11 -27 4  o 94.219  3.7865  1080.23    86.565   1069.34    125.326  1090.16    119.709  93.420  5.5539  94.377  5.2482  -0.9576187     7.641349 
1 1 1 -11 -27 5  o 32.776  5.2725  134.298    40.509   152.988    55.626   113.193    59.109   34.761  6.8388  29.847  7.9994  4.913654       10.52421 
1 1 1 -11 -27 6  o 137.429 4.1143  2298.56    137.195  2179.28    197.597  2409.58    190.636  133.566 6.0971  140.523 5.5911  -6.956909      8.272511 
1 1 1 -11 -27 7  o 198.304 4.8727  4790.89    234.457  4708.31    335.512  4869.71    327.768  196.139 7.0499  199.540 6.7697  -3.401260      9.773946 
1 1 1 -11 -27 8  o 59.726  4.5470  436.785    65.400   407.473    81.918   488.306    108.605  57.477  5.9605  62.753  7.2671  -5.275597      9.398855 
1 1 1 -11 -27 9  o 81.384  5.4649  811.078    107.290  811.078    107.290  0.0000     0.0000   81.384  5.4649  ?       ?       0.000000       5.464936 
1 1 1 -11 -27 10 o 72.030  5.5327  636.198    95.959   636.198    95.959   0.0000     0.0000   72.030  5.5327  ?       ?       0.000000       5.532746 
1 1 1 -11 -27 11 o 44.461  4.5679  243.119    48.578   237.639    69.385   248.387    68.034   43.597  6.7794  44.648  6.4684  -1.050793      9.370182 
1 1 1 -11 -27 12 f 203.438 4.9037  5039.61    242.056  5375.32    346.319  4718.98    338.455  209.748 6.8048  196.464 7.0999  13.28355       9.834334 
1 1 1 -11 -27 13 o 144.227 4.1028  2530.05    143.578  2765.73    207.323  2312.84    199.031  150.620 5.6728  137.703 5.9568  12.91721       8.225840 
1 1 1 -11 -27 14 o 307.288 6.5602  11529.50   489.133  12597.02   694.762  10480.37   688.754  320.324 8.9389  291.859 9.7258  28.46490       13.20967 
1 1 1 -11 -27 15 o 166.481 4.3753  3372.05    176.742  3657.99    253.724  3102.51    246.340  173.175 6.0383  159.437 6.3677  13.73767       8.775422 
1 1 1 -11 -27 16 o 142.486 4.0888  2469.14    141.363  2660.50    204.067  2292.59    196.010  147.735 5.6928  137.117 5.8915  10.61778       8.192543 
1 1 1 -11 -27 17 o 77.037  4.2370  724.068    78.895   772.231    102.650  654.555    123.320  79.437  5.3569  72.852  7.0651  6.585190       8.866364 
1 1 1 -11 -27 18 o 57.976  5.6257  413.473    78.143   423.345    140.870  409.085    93.917   57.767  10.434  57.470  6.8713  0.2967415      12.49349 
1 1 1 -11 -27 19 o 37.262  6.9993  175.104    60.959   228.521    123.339  157.838    70.122   42.322  11.645  35.195  8.3391  7.127331       14.32288 
1 1 1 -11 -27 20 o 55.467  6.7741  381.216    89.275   0.0000     0.0000   381.216    89.275   ?       ?       55.467  6.7741  0.000000       6.774105 
1 1 1 -11 -27 21 o 72.490  6.7240  647.116    116.924  0.0000     0.0000   647.116    116.924  ?       ?       72.490  6.7240  0.000000       6.724041 
1 1 1 -11 -27 22 o 122.952 4.9808  1840.71    148.593  0.0000     0.0000   1840.71    148.593  ?       ?       122.952 4.9808  0.000000       4.980771 
1 1 1 -11 -27 23 o 174.977 4.3264  3724.72    183.685  4154.93    270.676  3357.48    250.083  184.564 6.0442  165.885 6.2132  18.67960       8.668082 
1 1 1 -11 -27 24 o 303.780 6.4930  11265.89   478.594  10825.24   686.337  11682.96   667.717  296.713 9.5332  308.500 8.9202  -11.78693      13.05567 
1 1 1 -11 -27 25 o 135.940 3.8655  2246.99    127.502  2218.07    188.853  2271.21    172.840  134.876 5.7706  136.545 5.2168  -1.668259      7.779177 
1 1 1 -11 -27 26 o 199.413 4.7510  4840.98    229.883  4884.79    334.880  4801.94    316.136  199.933 6.9031  198.297 6.5704  1.635712       9.530100 
1 1 1 -11 -27 27 o 47.482  3.8991  276.005    44.525   236.673    70.521   302.077    57.416   43.482  6.9157  49.576  4.8346  -6.094254      8.438019 
1 1 1 -11 -27 28 o 62.425  3.5928  475.300    54.190   465.445    86.091   481.767    69.738   61.501  5.8392  62.742  4.6132  -1.241489      7.441624 
1 1 1 -11 -27 29 o 74.817  4.9615  684.785    89.558   586.891    142.053  749.365    115.377  68.596  8.7328  78.116  6.1366  -9.520264      10.67328 
1 1 1 -11 -27 30 o 53.056  5.4563  346.799    69.241   265.760    111.738  397.316    88.221   45.514  10.352  56.655  6.5375  -11.14075      12.24313 
1 1 1 -11 -27 31 o 186.573 6.5075  4254.49    294.595  4171.36    436.190  4324.22    399.469  183.629 9.8254  187.530 8.7791  -3.901123      13.17611 
1 1 1 -11 -27 32 o 127.502 5.4253  1982.96    167.842  2006.94    256.752  1965.07    221.794  127.540 8.3426  126.454 7.2590  1.086319       11.05860 
1 1 1 -11 -27 33 o 34.557  4.8218  148.313    39.329   132.857    65.106   157.194    49.350   32.270  8.2754  35.400  5.9570  -3.130287      10.19646 
1 1 1 -11 -27 34 o 85.819  3.5567  895.872    74.062   1040.63    116.086  796.501    96.180   92.210  5.2098  80.673  4.9373  11.53719       7.177626 
1 1 1 -11 -27 35 o 107.735 3.7843  1412.71    98.927   1243.73    150.804  1540.36    131.070  100.627 6.2066  112.386 4.8065  -11.75925      7.850125 
1 1 1 -11 -27 36 o 90.953  3.6946  1007.02    81.535   943.868    125.589  1053.03    107.198  87.624  5.9421  92.781  4.7779  -5.156960      7.624740 
1 1 1 -11 -27 37 o 24.070  6.2103  73.691     36.511   60.166     60.811   81.315     45.656   23.677  8.4190  25.364  7.1246  -1.686823      11.02900 
1 1 1 -11 -27 38 o 84.604  3.7165  872.015    76.294   759.019    118.620  951.739    99.637   78.386  6.2896  88.159  4.6746  -9.772491      7.836547 
1 1 1 -11 -27 39 o 36.244  5.0195  163.693    42.958   132.205    69.904   182.801    54.454   32.077  8.7424  38.124  6.0917  -6.046749      10.65541 
1 1 1 -11 -27 40 o 40.587  4.5932  203.929    44.438   220.080    73.483   194.617    55.797   41.543  7.5687  39.351  6.0364  2.192310       9.681074 
1 1 1 -11 -27 41 o 36.311  4.8389  164.260    41.573   188.484    71.558   151.919    51.077   38.250  7.9689  34.588  6.3188  3.661167       10.17008 
1 1 1 -11 -27 42 o 92.461  3.7537  1043.76    84.212   1060.22    133.445  1032.87    108.559  92.557  5.9738  91.647  4.8996  0.9098434      7.726086 
1 1 1 -11 -27 43 o 153.398 4.2989  2880.79    160.008  2888.40    242.930  2874.97    212.651  152.689 6.5571  152.705 5.7392  -0.1573181E-01 8.713987 
1 1 1 -11 -27 44 o 112.786 5.5121  1568.37    150.845  1785.86    228.682  1400.85    200.702  119.085 7.9601  105.441 7.9022  13.64364       11.21641 
1 1 1 -11 -27 45 o 71.703  5.4444  637.847    94.016   711.440    148.078  588.147    121.689  74.702  8.3103  68.169  7.4799  6.533241       11.18081 
1 1 1 -11 -27 46 o 110.770 5.6322  1521.22    150.880  1476.51    229.518  1555.24    200.223  107.436 8.8842  111.112 7.4700  -3.675751      11.60729 
1 1 1 -11 -27 47 o 56.464  4.0308  392.759    54.861   358.048    93.081   411.235    67.910   52.924  7.4550  57.576  4.9079  -4.651699      8.925484 
1 1 1 -11 -27 48 o 21.432  6.7981  56.800     39.688   30.730     80.415   65.196     45.633   22.677  9.2520  22.917  7.2917  -0.2399216     11.77999 
1 1 1 -11 -27 49 o 96.326  3.9800  1138.04    93.022   1244.92    154.520  1077.28    116.498  99.696  6.4218  93.238  5.1697  6.458618       8.244152 
1 1 1 -11 -27 50 o 47.502  4.8315  281.077    54.912   365.748    100.085  244.613    65.681   53.183  8.0040  43.853  6.3581  9.329590       10.22198 
1 1 1 -11 -27 51 o 52.009  6.1521  341.862    76.132   360.903    147.609  334.962    88.864   50.872  12.129  51.033  7.3917  -0.1608086     14.20408 
1 1 1 -11 -27 52 o 96.247  5.6789  1156.97    132.034  1175.40    231.070  1148.03    160.886  94.049  10.294  95.163  7.0171  -1.114159      12.45800 
1 1 1 -11 -27 53 o 68.440  4.3329  579.806    71.583   576.868    126.530  581.188    86.811   66.731  7.9724  68.193  5.2878  -1.462654      9.566581 
1 1 1 -11 -27 54 o 15.816  6.4468  13.779     39.000   48.929     86.385   4.7814     43.707   24.287  9.7031  15.700  6.6448  8.587425       11.76023 
1 1 1 -11 -27 55 o 22.702  7.1403  65.699     43.861   -25.2719   91.993   92.463     49.898   20.252  9.0725  26.463  7.4534  -6.210735      11.74153 
1 1 1 -11 -27 56 o 31.679  6.3514  131.193    47.121   71.589     98.327   148.962    53.688   26.651  10.445  33.652  6.8089  -7.000889      12.46800 
1 1 1 -11 -27 57 o 53.813  4.7916  363.504    61.910   567.472    118.946  287.715    72.506   65.834  7.5849  47.150  6.5114  18.68428       9.996434 
1 1 1 -11 -27 58 o 15.682  6.8585  -5.4766    49.585   -9.6779    118.125  -4.5780    54.631   23.363  10.386  16.513  7.2111  6.850689       12.64391 
1 1 1 -11 -27 59 o 49.945  6.0559  321.231    71.889   434.477    144.597  284.049    82.854   54.760  11.259  46.144  7.6693  8.616158       13.62262 
1 1 1 -11 -27 60 o 64.551  7.0806  544.888    109.081  673.713    203.668  493.071    129.169  66.648  13.061  59.970  9.1680  6.677490       15.95774 
1 1 1 -11 -27 61 o 19.897  8.3222  20.014     67.279   69.693     147.127  6.8794     75.652   29.075  12.242  19.931  8.5956  9.144379       14.95854 
1 1 1 -11 -27 62 o 21.750  7.9095  54.576     54.020   9.0451     135.204  63.225     58.928   25.485  11.231  23.020  8.2767  2.464884       13.95101 
1 1 1 -11 -27 63 o 10.826  5.2654  -73.2188   44.039   9.5797     124.516  -85.0568   47.082   24.676  10.828  10.916  5.3387  13.75981       12.07301 
1 1 1 -11 -27 64 f 47.790  9.7894  322.093    109.699  251.181    370.971  328.888    114.835  41.358  18.394  48.047  10.167  -6.689167      21.01737 
1 1 1 -11 -27 65 o 61.034  8.7800  510.471    126.283  114.323    357.833  566.830    134.967  37.274  17.158  64.264  8.8940  -26.99072      19.32621 
1 1 1 -11 -26 1  o 117.703 3.9636  1686.68    113.198  1566.71    164.665  1794.18    155.870  113.025 6.0261  121.229 5.2990  -8.204727      8.024490 
1 1 1 -11 -26 2  o 120.974 3.9596  1781.18    116.226  1789.05    168.758  1774.08    160.305  121.027 5.7467  120.556 5.4801  0.4706345      7.940820 
1 1 1 -11 -26 3  o 69.510  3.8017  589.527    63.876   566.230    92.765   610.534    88.086   67.875  5.6850  70.573  5.1803  -2.697495      7.691175 
1 1 1 -11 -26 4  o 50.767  4.1499  315.714    50.673   292.320    71.807   338.919    71.518   48.527  6.2433  52.396  5.7182  -3.869282      8.466202 
1 1 1 -11 -26 5  o 31.548  5.5750  124.942    41.114   63.118     57.143   191.300    59.201   23.773  8.1824  39.063  6.4726  -15.29034      10.43290 
1 1 1 -11 -26 6  o 103.610 3.7977  1305.42    95.474   1264.56    137.992  1342.95    132.233  101.682 5.6148  104.982 5.1911  -3.300262      7.646821 
1 1 1 -11 -26 7  o 113.590 4.4383  1570.19    122.327  1513.61    153.947  1667.12    201.483  111.267 5.7216  116.543 7.1597  -5.275749      9.165038 
1 1 1 -11 -26 8  f 204.461 7.0973  5110.53    352.100  5110.53    352.100  0.0000     0.0000   204.461 7.0973  ?       ?       0.000000       7.097275 
1 1 1 -11 -26 9  o 118.143 5.5785  1701.17    159.914  1701.17    159.914  0.0000     0.0000   118.143 5.5785  ?       ?       0.000000       5.578461 
1 1 1 -11 -26 10 o 114.460 3.8616  1592.88    107.246  1572.22    154.915  1611.90    148.618  113.578 5.6213  115.029 5.3247  -1.451355      7.742853 
1 1 1 -11 -26 11 o 191.799 4.7522  4477.41    221.159  4806.54    316.732  4164.27    308.944  198.431 6.5784  184.642 6.8958  13.78882       9.530335 
1 1 1 -11 -26 12 o 140.219 4.0417  2390.85    137.510  2553.99    198.738  2241.01    190.464  144.765 5.6579  135.590 5.7892  9.174194       8.094850 
1 1 1 -11 -26 13 o 70.735  3.6332  609.740    62.147   652.027    93.572   576.364    83.131   72.974  5.3213  68.622  5.0277  4.351830       7.320769 
1 1 1 -11 -26 14 o 131.594 3.9447  2105.45    125.955  2226.26    182.048  1994.51    174.450  135.175 5.5504  127.939 5.6196  7.235962       7.898555 
1 1 1 -11 -26 15 o 301.264 6.4839  11074.81   473.963  11566.51   673.115  10591.30   667.490  307.047 9.0348  293.696 9.3666  13.35114       13.01393 
1 1 1 -11 -26 16 o 105.767 3.7589  1359.79    96.467   1626.78    141.458  1127.69    131.893  115.596 5.0434  96.032  5.6856  19.56339       7.600137 
1 1 1 -11 -26 17 o 332.819 7.0298  13529.29   567.699  14137.03   805.262  12928.80   800.454  339.146 9.7856  324.159 10.177  14.98724       14.11829 
1 1 1 -11 -26 18 o 164.780 4.1736  3301.98    166.869  3729.13    246.186  2938.94    226.962  174.921 5.8004  155.258 6.0247  19.66240       8.363092 
1 1 1 -11 -26 19 o 173.133 8.6139  3673.41    361.864  0.0000     0.0000   3673.41    361.864  ?       ?       173.133 8.6139  0.000000       8.613919 
1 1 1 -11 -26 20 o 323.160 13.756  12997.11   1078.61  0.0000     0.0000   12997.11   1078.61  ?       ?       323.160 13.756  0.000000       13.75571 
1 1 1 -11 -26 21 o 103.486 6.9689  1313.69    173.969  0.0000     0.0000   1313.69    173.969  ?       ?       103.486 6.9689  0.000000       6.968871 
1 1 1 -11 -26 22 o 313.164 9.4082  12042.78   714.897  12658.68   1024.06  11457.29   998.460  319.209 13.222  303.500 13.558  15.70853       18.93783 
1 1 1 -11 -26 23 o 119.252 3.6355  1728.45    105.194  1863.28    156.788  1618.07    141.863  123.696 5.2239  115.282 5.0716  8.413696       7.280786 
1 1 1 -11 -26 24 o 70.728  3.3820  607.865    58.040   545.819    89.751   652.465    76.092   66.697  5.5976  73.114  4.3082  -6.417206      7.063559 
1 1 1 -11 -26 25 o 139.425 3.9078  2363.44    132.203  2305.18    195.422  2412.60    179.515  137.513 5.8569  140.745 5.2566  -3.232956      7.869853 
1 1 1 -11 -26 26 f 186.206 4.5589  4218.92    205.976  4056.91    300.652  4362.21    282.760  182.268 6.7981  189.112 6.1622  -6.843872      9.175362 
1 1 1 -11 -26 27 o 115.648 3.7009  1625.80    103.852  1625.87    156.034  1625.74    139.149  115.507 5.5674  115.555 4.9628  -0.4821014E-01 7.458214 
1 1 1 -11 -26 28 o 119.186 3.7248  1726.92    107.718  1787.79    161.474  1678.11    144.592  121.124 5.4943  117.388 5.0764  3.736038       7.480448 
1 1 1 -11 -26 29 f 196.131 4.8052  4683.10    228.677  4240.29    333.909  5074.24    313.821  186.188 7.3912  203.895 6.3432  -17.70703      9.739908 
1 1 1 -11 -26 30 o 121.255 5.2745  1791.44    155.184  1869.32    237.943  1733.80    204.714  123.268 7.9986  118.869 7.1306  4.398605       10.71554 
1 1 1 -11 -26 31 o 98.041  5.0722  1174.05    120.248  1412.09    191.309  1018.59    154.606  107.166 7.4026  90.998  7.0573  16.16792       10.22765 
1 1 1 -11 -26 32 o 31.604  7.0685  126.972    52.847   190.797    93.091   96.622     64.194   38.613  9.8917  28.037  8.6089  10.57604       13.11337 
1 1 1 -11 -26 33 o 49.712  5.7498  305.524    68.075   460.910    112.068  214.662    85.698   60.835  7.7696  41.010  8.8702  19.82504       11.79179 
1 1 1 -11 -26 34 o 70.159  3.7160  600.390    63.033   627.815    97.821   580.918    82.427   71.497  5.6857  68.861  4.9666  2.635925       7.549412 
1 1 1 -11 -26 35 o 123.433 3.8939  1854.08    116.623  1762.01    176.296  1925.72    155.511  119.914 6.0790  125.657 5.1005  -5.742828      7.935276 
1 1 1 -11 -26 36 o 115.707 3.8455  1629.58    107.962  1634.23    163.730  1626.01    143.606  115.477 5.8627  115.434 5.1271  0.4324341E-01  7.788337 
1 1 1 -11 -26 37 o 7.1242  3.5832  -86.1743   27.931   -130.4855  44.973   -58.3525   35.636   9.2452  4.6363  9.9560  4.8171  -0.7108297     6.685748 
1 1 1 -11 -26 38 o 111.729 3.8139  1520.50    103.395  1570.84    158.030  1482.83    136.720  113.130 5.7763  110.162 5.1149  2.968361       7.715412 
1 1 1 -11 -26 39 o 176.691 4.5758  3811.67    196.174  3681.04    291.931  3919.24    264.898  172.921 6.9578  178.725 6.1084  -5.804428      9.258686 
1 1 1 -11 -26 40 o 36.586  4.7336  166.288    41.036   300.372    71.271   99.793     50.190   49.083  6.1171  27.921  7.3191  21.16173       9.538798 
1 1 1 -11 -26 41 o 167.287 4.4251  3420.21    179.617  3570.41    269.621  3300.37    240.843  170.188 6.5292  163.806 6.0596  6.382523       8.907793 
1 1 1 -11 -26 42 o 40.646  4.5519  204.619    44.122   237.567    75.734   187.691    54.286   43.166  7.5030  38.611  5.9884  4.555367       9.599806 
1 1 1 -11 -26 43 o 112.132 3.9298  1536.26    106.921  1380.15    167.010  1644.67    139.183  105.429 6.5611  115.781 4.9543  -10.35193      8.221538 
1 1 1 -11 -26 44 o 162.372 5.2966  3243.64    208.677  3244.47    265.730  3242.31    337.054  161.680 6.7736  160.250 8.7010  1.430420       11.02674 
1 1 1 -11 -26 45 o 192.446 6.9559  4611.46    324.808  4636.77    475.937  4589.40    444.380  189.784 10.375  189.498 9.6971  0.2862701      14.20096 
1 1 1 -11 -26 46 o 57.676  5.7524  415.172    79.429   534.085    127.490  339.735    101.544  64.591  8.3287  51.268  8.4578  13.32249       11.87021 
1 1 1 -11 -26 47 o 28.590  5.9555  104.916    39.972   70.890     74.087   118.888    47.474   25.485  9.2635  30.335  6.6346  -4.849808      11.39430 
1 1 1 -11 -26 48 o 55.394  4.3717  379.100    58.282   480.579    105.442  334.458    69.936   61.546  7.1966  51.684  5.6699  9.862534       9.161792 
1 1 1 -11 -26 49 o 66.266  4.2143  541.128    67.409   541.183    120.780  541.103    81.239   65.078  7.8046  66.026  5.1107  -0.9480438     9.329061 
1 1 1 -11 -26 50 o 15.075  6.3025  6.4301     38.562   -13.1945   83.971   11.675     43.410   20.229  8.8843  16.387  6.7544  3.842474       11.16037 
1 1 1 -11 -26 51 o 11.371  5.4605  -62.0224   43.753   4.7256     102.424  -76.9212   48.390   23.264  10.017  11.588  5.6082  11.67603       11.48051 
1 1 1 -11 -26 52 o 37.642  7.3621  184.629    64.833   406.035    132.264  114.605    74.382   54.923  10.303  29.694  9.2918  25.22852       13.87427 
1 1 1 -11 -26 53 o 64.756  4.3527  519.030    67.994   377.642    126.415  576.583    80.654   52.813  10.234  68.086  4.9151  -15.27294      11.35347 
1 1 1 -11 -26 54 o 58.083  4.5054  419.213    63.000   393.849    120.728  428.704    73.853   54.164  9.5344  58.494  5.2597  -4.329987      10.88893 
1 1 1 -11 -26 55 o 58.564  4.6536  427.477    65.583   474.957    124.565  409.268    77.141   59.808  8.8509  56.935  5.6589  2.872993       10.50534 
1 1 1 -11 -26 56 o 56.193  4.7903  395.068    64.691   256.313    126.727  443.968    75.231   42.140  11.881  59.407  5.2740  -17.26639      12.99923 
1 1 1 -11 -26 57 o 28.408  6.9857  107.215    47.816   103.889    104.982  108.086    53.711   29.359  10.964  28.414  7.6296  0.9448471      13.35776 
1 1 1 -11 -26 58 o 28.180  8.1201  107.024    58.556   -4.0420    139.968  130.586    64.469   25.483  11.318  30.955  8.3785  -5.472696      14.08174 
1 1 1 -11 -26 59 o 23.885  8.3038  70.786     58.923   4.6360     153.717  82.180     63.796   26.739  11.869  25.356  8.6478  1.383602       14.68543 
1 1 1 -11 -26 60 o 41.323  8.9816  236.005    87.484   239.951    190.430  234.949    98.492   39.563  14.769  40.668  10.041  -1.105865      17.85894 
1 1 1 -11 -26 61 o 35.161  9.6409  174.182    84.713   360.496    188.212  126.850    94.865   47.007  14.792  30.585  10.542  16.42255       18.16415 
1 1 1 -11 -26 62 o 10.826  5.2965  -84.8047   46.479   95.621     135.040  -109.0519  49.504   29.958  12.074  10.525  5.2096  19.43309       13.14982 
1 1 1 -11 -26 63 f 28.699  8.0819  111.847    58.672   107.896    150.786  112.552    63.692   31.351  12.715  28.757  8.5211  2.594282       15.30634 
1 1 1 -11 -26 64 o 23.991  8.3945  71.678     60.263   35.574     146.561  79.024     66.111   27.427  11.896  25.056  8.7909  2.371166       14.79175 
1 1 1 -11 -26 65 o 27.982  10.336  99.348     92.796   115.622    332.652  97.975     96.632   37.004  16.848  28.034  10.510  8.970129       19.85696 
1 1 1 -11 -25 1  o 85.103  3.7366  880.958    77.160   768.432    110.827  986.811    107.490  79.128  5.8130  89.849  4.9496  -10.72101      7.634812 
1 1 1 -11 -25 2  o 71.382  3.7407  621.364    64.565   642.303    91.935   600.987    90.694   72.398  5.2697  70.003  5.3807  2.394890       7.531321 
1 1 1 -11 -25 3  o 101.759 3.7678  1259.18    93.031   1156.80    133.543  1355.72    129.674  97.226  5.6855  105.488 5.0662  -8.262276      7.615211 
1 1 1 -11 -25 4  o 146.012 4.1713  2593.52    147.783  2456.59    211.902  2723.20    206.209  141.878 6.1554  149.443 5.6868  -7.564941      8.380243 
1 1 1 -11 -25 5  o 159.460 4.3076  3093.51    166.667  3022.89    239.427  3159.89    232.148  157.385 6.2697  160.960 5.9441  -3.574814      8.639475 
1 1 1 -11 -25 6  o 77.929  4.2947  740.970    80.894   723.391    101.827  771.045    133.189  76.855  5.4967  79.135  7.0089  -2.279404      8.907224 
1 1 1 -11 -25 7  o 228.971 7.5895  6412.54    421.657  6412.54    421.657  0.0000     0.0000   228.971 7.5895  ?       ?       0.000000       7.589527 
1 1 1 -11 -25 8  o 172.717 6.3768  3639.57    267.241  3639.57    267.241  0.0000     0.0000   172.717 6.3768  ?       ?       0.000000       6.376818 
1 1 1 -11 -25 9  o 163.292 4.3592  3243.30    172.717  3122.41    247.375  3358.29    241.256  159.984 6.3726  165.970 5.9908  -5.986267      8.746415 
1 1 1 -11 -25 10 o 7.8904  3.7989  -33.0407   21.511   -77.8426   39.160   -13.6808   25.742   9.8577  4.8312  10.548  4.7560  -0.6901073     6.779326 
1 1 1 -11 -25 11 o 164.639 4.3557  3296.81    174.003  3402.04    249.873  3197.75    242.448  167.034 6.1653  161.941 6.1702  5.093414       8.722483 
1 1 1 -11 -25 12 o 145.931 4.0704  2589.29    144.128  2705.55    207.909  2481.74    199.977  149.009 5.7504  142.711 5.7751  6.298828       8.149764 
1 1 1 -11 -25 13 o 162.094 4.3057  3195.38    169.346  3389.81    243.364  3012.86    235.798  166.760 6.0145  157.194 6.1822  9.566101       8.625162 
1 1 1 -11 -25 14 o ?       ?       -84.8520   21.443   -98.6645   39.223   -78.9641   25.608   9.1138  4.5326  6.8295  3.4344  2.284349       5.686823 
1 1 1 -11 -25 15 o 267.708 5.9003  8734.10    383.262  9470.18    544.712  8012.43    539.357  278.215 8.0690  255.736 8.6920  22.47942       11.86004 
1 1 1 -11 -25 16 o 110.291 3.7659  1478.47    100.780  1603.63    147.118  1367.81    138.337  114.763 5.2832  105.844 5.4045  8.918907       7.557885 
1 1 1 -11 -25 17 o 125.032 3.7467  1900.04    113.668  1852.71    170.123  1938.21    152.774  123.319 5.6855  126.193 4.9894  -2.873619      7.564343 
1 1 1 -11 -25 18 o 146.764 5.4069  2623.07    192.545  0.0000     0.0000   2623.07    192.545  ?       ?       146.764 5.4069  0.000000       5.406918 
1 1 1 -11 -25 19 o 121.539 4.9535  1797.81    146.080  0.0000     0.0000   1797.81    146.080  ?       ?       121.539 4.9535  0.000000       4.953467 
1 1 1 -11 -25 20 o 118.824 7.2209  1730.70    207.201  0.0000     0.0000   1730.70    207.201  ?       ?       118.824 7.2209  0.000000       7.220863 
1 1 1 -11 -25 21 o 275.443 8.4434  9289.51    564.305  10052.87   810.729  8572.11    785.944  285.332 11.710  263.242 12.305  22.09036       16.98627 
1 1 1 -11 -25 22 o 12.545  5.6463  -18.3738   36.093   -153.4381  62.610   48.850     44.171   11.611  5.7668  20.954  7.1950  -9.342917      9.220815 
1 1 1 -11 -25 23 o 163.540 5.9925  3259.97    237.792  3507.00    346.924  3041.06    326.575  169.233 8.4486  157.340 8.5867  11.89352       12.04613 
1 1 1 -11 -25 24 o 123.767 3.6420  1861.66    109.373  2230.77    162.645  1556.96    147.776  135.382 4.9513  113.070 5.3863  22.31287       7.316262 
1 1 1 -11 -25 25 o 158.612 4.1718  3059.18    160.553  2894.01    235.712  3202.13    219.290  154.043 6.3063  162.129 5.5743  -8.085739      8.416822 
1 1 1 -11 -25 26 o 20.479  5.5136  52.812     28.006   12.983     45.779   76.633     35.404   17.109  6.9806  24.587  5.9898  -7.477818      9.198171 
1 1 1 -11 -25 27 o 151.133 4.1086  2777.45    150.666  2467.19    221.931  3042.69    205.199  142.207 6.4318  158.060 5.3504  -15.85291      8.366325 
1 1 1 -11 -25 28 o 161.314 4.2383  3164.82    165.892  3040.18    244.151  3271.71    226.101  157.860 6.3742  163.854 5.6870  -5.993866      8.542357 
1 1 1 -11 -25 29 o 233.893 5.3636  6663.77    304.396  6349.96    440.974  6949.40    420.702  227.763 7.9793  238.451 7.2713  -10.68744      10.79542 
1 1 1 -11 -25 30 o 71.079  3.5745  615.614    61.452   785.476    95.719   496.512    80.151   80.171  4.9447  63.634  5.2376  16.53697       7.202921 
1 1 1 -11 -25 31 o 145.239 5.7089  2571.61    201.186  2567.46    305.229  2574.79    267.525  144.396 8.7531  144.857 7.6383  -0.4610443     11.61727 
1 1 1 -11 -25 32 o 127.140 5.4708  1970.19    168.771  2039.18    257.779  1918.43    223.279  128.702 8.2988  125.008 7.3941  3.694778       11.11499 
1 1 1 -11 -25 33 o 97.178  5.1864  1153.94    121.851  1286.09    190.317  1062.14    158.626  102.181 7.7334  92.925  7.0888  9.256493       10.49078 
1 1 1 -11 -25 34 o 60.786  3.7756  451.101    55.412   574.433    87.584   368.788    71.552   68.440  5.3158  54.726  5.4614  13.71440       7.621376 
1 1 1 -11 -25 35 o 88.044  3.6600  942.780    78.189   921.536    120.089  958.414    103.017  86.704  5.7407  88.563  4.8120  -1.858498      7.490731 
1 1 1 -11 -25 36 o 48.599  4.1681  289.637    48.675   279.231    78.174   296.225    62.205   47.240  7.0346  48.991  5.3183  -1.750793      8.818769 
1 1 1 -11 -25 37 o 79.829  3.7030  775.481    71.726   866.830    112.332  712.603    93.197   84.063  5.5383  76.258  5.0656  7.805115       7.505535 
1 1 1 -11 -25 38 o 131.715 3.9813  2113.06    127.240  2089.05    193.362  2131.40    168.982  130.620 6.1009  132.091 5.2723  -1.470657      8.063445 
1 1 1 -11 -25 39 o 138.330 4.0416  2332.01    135.655  2432.26    205.956  2255.20    180.288  140.884 6.0249  135.778 5.4723  5.106232       8.139151 
1 1 1 -11 -25 40 o 183.925 4.6430  4131.65    207.207  4263.23    308.180  4023.08    279.923  186.113 6.8244  180.959 6.3752  5.153030       9.338923 
1 1 1 -11 -25 41 o 225.317 5.3132  6219.66    290.481  6179.61    426.972  6254.17    396.341  223.291 7.8807  224.994 7.2599  -1.703247      10.71503 
1 1 1 -11 -25 42 o 134.032 4.0018  2193.01    130.145  2480.77    199.972  1981.56    171.416  142.072 5.8009  127.042 5.5608  15.03036       8.035748 
1 1 1 -11 -25 43 o 34.877  5.0827  152.231    41.748   61.356     75.127   192.831    50.215   24.891  9.2794  39.266  5.4146  -14.37437      10.74358 
1 1 1 -11 -25 44 o 91.590  3.7715  1024.57    83.815   1030.54    133.537  1020.69    107.664  91.182  6.0704  91.083  4.8895  0.9933472E-01  7.794616 
1 1 1 -11 -25 45 o 49.127  6.0390  302.495    70.470   365.790    114.144  263.511    89.580   53.101  9.1918  45.107  8.4965  7.994362       12.51718 
1 1 1 -11 -25 46 o 90.419  5.4825  1011.91    119.713  853.842    183.714  1128.56    157.821  81.423  9.4761  94.973  6.8956  -13.54948      11.71950 
1 1 1 -11 -25 47 o 44.918  6.3487  255.155    67.266   205.911    110.691  283.988    84.700   39.198  11.123  47.022  7.6896  -7.824089      13.52195 
1 1 1 -11 -25 48 o 13.515  5.8812  -5.3780    36.055   -66.4031   78.576   10.898     40.579   16.895  7.8680  15.884  6.5369  1.011015       10.22920 
1 1 1 -11 -25 49 o 59.194  4.4046  432.669    62.810   371.910    110.528  461.648    76.334   53.446  8.8315  60.947  5.2119  -7.500942      10.25471 
1 1 1 -11 -25 50 o 73.417  4.4826  665.055    79.470   707.784    179.168  654.589    88.669   73.234  10.373  72.669  5.0603  0.5647354      11.54145 
1 1 1 -11 -25 51 o 32.799  7.9535  141.452    62.644   155.171    116.195  135.831    74.379   34.668  11.672  32.074  9.1232  2.594456       14.81421 
1 1 1 -11 -25 52 o 40.551  7.1207  212.425    67.507   311.459    136.303  180.237    77.707   47.361  11.881  36.799  8.8181  10.56152       14.79597 
1 1 1 -11 -25 53 o 22.086  8.1594  51.351     57.828   116.739    119.636  31.416     66.057   31.641  11.727  21.066  8.4606  10.57470       14.46025 
1 1 1 -11 -25 54 o 19.584  7.0385  42.115     42.612   -67.1562   92.911   71.221     47.952   18.578  8.6192  23.697  7.4678  -5.119604      11.40428 
1 1 1 -11 -25 55 o 49.054  4.9566  301.561    58.187   530.178    115.422  223.661    67.375   64.010  7.5786  41.515  6.9330  22.49540       10.27139 
1 1 1 -11 -25 56 o 69.576  4.8406  604.111    81.210   386.770    192.636  651.086    89.557   50.068  14.815  72.111  5.1523  -22.04273      15.68563 
1 1 1 -11 -25 57 o 19.968  7.1911  44.712     44.500   -26.6350   104.365  60.565     49.196   21.453  9.6333  22.264  7.5941  -0.8106060     12.26664 
1 1 1 -11 -25 58 o 62.962  5.3073  500.146    80.325   472.769    167.420  508.332    91.549   56.615  12.520  63.122  6.0516  -6.507477      13.90569 
1 1 1 -11 -25 59 o 58.079  5.4638  427.740    76.093   620.088    164.124  375.074    85.880   66.574  10.509  53.760  6.7313  12.81477       12.47987 
1 1 1 -11 -25 60 f 25.874  8.1592  88.539     57.235   124.073    145.319  82.015     62.268   32.125  12.664  25.283  8.5441  6.841833       15.27638 
1 1 1 -11 -25 61 o 36.660  9.2145  187.150    81.871   125.406    177.702  203.788    92.245   33.408  13.706  37.965  9.9083  -4.556908      16.91230 
1 1 1 -11 -25 62 o 9.7007  4.8343  -113.7682  45.569   -175.5188  153.518  -107.8019  47.719   21.071  10.146  10.261  5.0853  10.81078       11.34911 
1 1 1 -11 -25 63 o 18.939  7.6699  25.237     54.779   -96.8308   148.130  44.575     58.958   22.748  10.662  21.182  8.1465  1.565357       13.41776 
1 1 1 -11 -25 64 o 18.932  7.8347  19.998     58.730   40.757     158.360  16.688     63.239   28.467  12.356  19.206  8.0533  9.260979       14.74905 
1 1 1 -11 -25 65 o 32.429  14.746  27.059     253.812  27.059     253.812  0.0000     0.0000   32.429  14.746  ?       ?       0.000000       14.74621 
1 1 1 -11 -24 1  o 156.553 4.3192  2982.37    164.072  2897.09    235.650  3062.60    228.576  154.038 6.3048  158.433 5.9459  -4.394699      8.666338 
1 1 1 -11 -24 2  o 191.832 4.6932  4479.53    218.449  4125.47    312.403  4818.28    305.576  183.716 7.0081  198.679 6.3388  -14.96243      9.449553 
1 1 1 -11 -24 3  o 244.633 5.5663  7293.31    330.406  7259.56    471.105  7325.99    463.516  243.490 7.9739  244.648 7.8084  -1.157867      11.16039 
1 1 1 -11 -24 4  o 156.360 4.2851  2973.77    162.573  2935.04    233.559  3010.17    226.432  155.119 6.2054  157.127 5.9391  -2.008438      8.589510 
1 1 1 -11 -24 5  o 90.228  4.1658  990.028    91.201   956.212    114.806  1047.87    150.147  88.443  5.3753  92.408  6.7430  -3.964783      8.623343 
1 1 1 -11 -24 6  o 115.479 5.4777  1624.37    153.484  1624.37    153.484  0.0000     0.0000   115.479 5.4777  ?       ?       0.000000       5.477660 
1 1 1 -11 -24 7  o 167.051 6.2850  3403.16    254.752  3403.16    254.752  0.0000     0.0000   167.051 6.2850  ?       ?       0.000000       6.284996 
1 1 1 -11 -24 8  o 129.759 3.9773  2046.90    125.226  1945.12    180.005  2142.36    174.324  126.339 5.8719  132.634 5.4167  -6.294762      7.988791 
1 1 1 -11 -24 9  o 199.584 4.8131  4846.98    233.087  5076.41    333.372  4627.57    326.019  203.964 6.7362  194.710 6.9006  9.253204       9.643385 
1 1 1 -11 -24 10 o 187.711 5.3316  4290.20    242.835  4399.12    418.386  4234.87    298.204  189.428 9.1027  186.319 6.5962  3.109070       11.24137 
1 1 1 -11 -24 11 o 118.288 3.7915  1700.60    108.823  1838.64    158.218  1576.67    149.916  122.889 5.3061  113.788 5.4298  9.100655       7.591965 
1 1 1 -11 -24 12 o 15.708  5.6924  24.679     27.945   17.817     48.438   28.103     34.214   17.990  7.2379  17.084  6.2821  0.9060211      9.583927 
1 1 1 -11 -24 13 o 147.296 4.0937  2637.71    146.308  2897.93    210.783  2395.77    203.245  154.248 5.6319  140.214 5.9740  14.03401       8.210161 
1 1 1 -11 -24 14 o 142.842 4.0770  2480.51    141.304  2546.19    203.643  2419.52    196.231  144.567 5.8055  140.932 5.7384  3.635208       8.162902 
1 1 1 -11 -24 15 o 98.170  4.1783  1171.73    99.527   1204.07    127.235  1120.76    159.756  99.310  5.2994  95.583  6.9355  3.727196       8.728406 
1 1 1 -11 -24 16 f 170.163 4.2603  3520.77    175.900  3667.44    257.394  3392.25    240.940  173.465 6.1154  166.850 5.9514  6.614594       8.533289 
1 1 1 -11 -24 17 o 73.449  4.3843  658.372    77.779   0.0000     0.0000   658.372    77.779   ?       ?       73.449  4.3843  0.000000       4.384304 
1 1 1 -11 -24 18 o 70.844  4.3794  612.654    74.911   0.0000     0.0000   612.654    74.911   ?       ?       70.844  4.3794  0.000000       4.379381 
1 1 1 -11 -24 19 o 166.770 5.7822  3388.17    233.980  0.0000     0.0000   3388.17    233.980  ?       ?       166.770 5.7822  0.000000       5.782229 
1 1 1 -11 -24 20 o 90.788  3.4561  1001.45    76.133   1214.06    118.455  851.798    99.378   99.888  4.8874  83.522  4.9255  16.36562       6.938807 
1 1 1 -11 -24 21 o 144.400 5.6507  2539.71    197.986  2486.88    288.756  2586.59    271.985  142.310 8.3997  145.274 7.7440  -2.963959      11.42469 
1 1 1 -11 -24 22 o 143.145 5.6108  2495.63    194.878  2504.20    284.542  2488.05    267.451  142.836 8.2451  142.467 7.7662  0.3697510      11.32674 
1 1 1 -11 -24 23 o 18.144  6.8821  28.336     41.714   10.730     68.939   38.505     52.393   20.292  8.4504  20.626  7.7374  -0.3341808     11.45760 
1 1 1 -11 -24 24 o 116.143 5.2111  1642.07    146.853  1719.77    217.260  1576.72    199.267  118.394 7.6031  113.396 7.2807  4.997498       10.52688 
1 1 1 -11 -24 25 o 179.454 4.4278  3916.61    192.797  3878.07    281.404  3950.70    264.676  178.314 6.5040  180.039 6.0587  -1.725113      8.888770 
1 1 1 -11 -24 26 o 189.581 4.6146  4372.17    212.273  4182.57    309.031  4541.55    292.083  185.120 6.8800  193.003 6.2370  -7.883438      9.286244 
1 1 1 -11 -24 27 o 114.425 3.6776  1591.22    102.107  1352.71    152.610  1784.53    137.389  105.181 6.0047  121.112 4.6752  -15.93111      7.610091 
1 1 1 -11 -24 28 o 165.279 4.3349  3322.24    173.843  2908.19    254.936  3682.12    237.672  154.361 6.8066  173.854 5.6342  -19.49345      8.835924 
1 1 1 -11 -24 29 o 115.447 3.7587  1619.99    105.288  1358.75    158.925  1824.34    140.561  105.374 6.2436  122.446 4.7310  -17.07098      7.833567 
1 1 1 -11 -24 30 o 91.527  3.5879  1018.10    79.680   998.495    121.797  1032.77    105.352  90.359  5.5825  92.004  4.7353  -1.644310      7.320368 
1 1 1 -11 -24 31 o 154.790 5.9130  2921.00    222.084  2925.09    333.654  2917.75    297.581  154.163 8.9584  154.196 7.9810  -0.3271484E-01 11.99788 
1 1 1 -11 -24 32 o 250.080 8.0691  7658.77    489.631  7151.67    714.374  8108.05    672.416  239.884 12.315  256.363 10.810  -16.47884      16.38616 
1 1 1 -11 -24 33 o 173.432 6.3394  3671.32    266.774  3560.32    399.544  3760.61    358.358  169.829 9.7366  175.122 8.4336  -5.293549      12.88122 
1 1 1 -11 -24 34 o 160.319 6.1032  3136.71    237.414  3111.22    357.545  3156.81    317.516  158.781 9.3213  160.250 8.1933  -1.469009      12.41033 
1 1 1 -11 -24 35 o 160.332 4.2911  3128.48    166.937  3178.54    247.827  3086.89    225.867  161.313 6.3316  159.049 5.8527  2.264053       8.622301 
1 1 1 -11 -24 36 o 15.876  6.1384  19.705     33.612   68.793     58.526   -4.4539    41.058   24.512  8.2834  14.673  6.3302  9.838732       10.42527 
1 1 1 -11 -24 37 o 9.9522  4.7111  -36.0827   30.234   -172.5635  56.307   19.208     35.839   10.130  5.0940  16.165  6.3138  -6.035413      8.112527 
1 1 1 -11 -24 38 o 188.801 4.6827  4346.07    214.519  4531.93    317.792  4190.49    290.758  192.265 6.8121  184.973 6.4783  7.292358       9.400661 
1 1 1 -11 -24 39 o 94.673  3.7554  1091.31    86.267   987.432    134.663  1163.62    112.346  89.563  6.2355  97.656  4.7413  -8.092590      7.833366 
1 1 1 -11 -24 40 o 154.781 4.2788  2921.75    160.695  2948.56    242.128  2900.65    214.829  154.978 6.4389  153.897 5.7531  1.081619       8.634623 
1 1 1 -11 -24 41 o 68.310  3.8106  570.506    62.908   553.921    101.966  580.699    79.935   66.844  6.3636  68.762  4.8215  -1.917702      7.983874 
1 1 1 -11 -24 42 o 97.487  3.7979  1159.02    89.837   1058.07    142.253  1226.00    115.865  92.499  6.3771  100.114 4.7697  -7.615532      7.963526 
1 1 1 -11 -24 43 o 19.978  6.4659  47.854     35.766   76.065     63.372   34.668     43.326   25.467  8.6194  18.974  7.0521  6.492319       11.13670 
1 1 1 -11 -24 44 o 92.489  3.7600  1044.37    84.381   1161.45    135.033  969.355    108.082  96.963  5.7654  88.746  5.0401  8.216148       7.657827 
1 1 1 -11 -24 45 o 96.070  5.5208  1140.01    128.153  1135.65    195.428  1143.29    169.746  94.706  8.5982  95.549  7.3788  -0.8431396     11.33029 
1 1 1 -11 -24 46 o 151.125 6.2005  2827.31    227.368  2648.55    336.511  2977.47    308.417  143.934 9.6918  153.676 8.3020  -9.741669      12.76147 
1 1 1 -11 -24 47 o 45.287  6.4029  259.237    68.398   324.464    111.573  219.967    86.573   49.700  9.5995  40.928  8.9656  8.772022       13.13515 
1 1 1 -11 -24 48 o 37.702  5.2061  178.371    46.356   179.082    79.157   177.999    57.187   36.850  8.9434  37.321  6.5543  -0.4706268     11.08802 
1 1 1 -11 -24 49 o 63.715  4.2819  500.267    65.813   442.319    120.100  525.136    78.679   58.468  8.7334  65.101  5.0196  -6.633057      10.07314 
1 1 1 -11 -24 50 o 56.833  4.4628  399.232    61.047   554.079    109.638  329.653    73.494   66.239  6.9239  51.203  6.0312  15.03617       9.182339 
1 1 1 -11 -24 51 o 72.975  4.2448  656.085    74.837   697.246    132.194  636.672    90.786   74.097  7.4538  71.591  5.2632  2.506462       9.124765 
1 1 1 -11 -24 52 o 71.859  5.8719  645.962    101.487  633.622    184.594  651.308    121.497  68.381  11.536  71.676  7.0785  -3.294868      13.53453 
1 1 1 -11 -24 53 o 51.597  6.4071  337.842    78.488   423.056    154.154  308.021    91.193   55.276  11.850  48.647  8.0042  6.629368       14.29963 
1 1 1 -11 -24 54 o 16.924  6.8362  17.695     43.396   152.104    96.153   -16.6864   48.631   33.696  10.568  14.865  6.6322  18.83146       12.47651 
1 1 1 -11 -24 55 o 16.858  6.7899  18.344     42.678   124.993    93.600   -9.6470    47.952   31.038  10.475  15.232  6.7012  15.80590       12.43546 
1 1 1 -11 -24 56 o 79.512  4.2874  783.171    82.410   845.995    149.617  755.811    98.738   80.838  7.7218  77.699  5.2684  3.139038       9.347809 
1 1 1 -11 -24 57 o 53.626  4.8590  360.409    62.538   494.471    127.244  317.713    71.810   60.845  8.8804  49.880  6.0576  10.96564       10.74971 
1 1 1 -11 -24 58 o 45.312  6.2108  264.258    66.488   263.799    151.242  264.368    74.025   41.936  13.267  44.983  7.0106  -3.047009      15.00580 
1 1 1 -11 -24 59 o 45.847  6.6960  273.449    72.291   505.301    156.998  211.065    81.438   59.495  11.288  39.267  8.7689  20.22824       14.29413 
1 1 1 -11 -24 60 o 41.462  6.8617  225.492    66.617   366.139    155.516  193.884    73.724   49.185  12.879  37.780  8.2716  11.40465       15.30646 
1 1 1 -11 -24 61 o 23.222  9.0616  52.769     73.767   -121.3113  164.495  96.590     82.531   23.422  11.057  27.607  9.8088  -4.184378      14.78108 
1 1 1 -11 -24 62 o 16.492  7.5986  -43.5032   70.400   126.497    163.090  -82.4339   78.046   33.067  13.289  15.845  7.5204  17.22195       15.26954 
1 1 1 -11 -24 63 o 16.321  7.2052  -10.1947   55.903   -253.1131  266.007  1.0299     57.180   27.318  13.203  17.299  7.4668  10.01855       15.16825 
1 1 1 -11 -24 64 o 20.697  8.1561  38.162     60.261   135.549    155.392  20.923     65.378   33.114  13.082  19.802  8.2365  13.31129       15.45881 
1 1 1 -11 -24 65 o 38.000  16.635  170.940    292.280  170.940    292.280  0.0000     0.0000   38.000  16.635  ?       ?       0.000000       16.63479 
1 1 1 -11 -23 1  o 172.309 5.0605  3615.24    211.574  3373.68    359.402  3743.35    261.731  165.569 8.9797  175.181 6.1575  -9.612045      10.88808 
1 1 1 -11 -23 2  o 156.418 4.3281  2975.93    164.264  2729.09    235.183  3211.05    229.529  149.552 6.4811  162.310 5.8281  -12.75826      8.716210 
1 1 1 -11 -23 3  o 158.229 4.3075  3044.93    165.376  2993.29    237.493  3093.54    230.420  156.669 6.2475  159.307 5.9610  -2.638809      8.635098 
1 1 1 -11 -23 4  o 167.913 4.4245  3429.31    180.266  3303.26    257.933  3549.67    252.037  164.562 6.4597  170.641 6.0872  -6.079132      8.875903 
1 1 1 -11 -23 5  o 44.991  5.8445  250.732    62.295   250.732    62.295   0.0000     0.0000   44.991  5.8445  ?       ?       0.000000       5.844512 
1 1 1 -11 -23 6  o 181.567 6.5048  4020.73    286.574  4020.73    286.574  0.0000     0.0000   181.567 6.5048  ?       ?       0.000000       6.504817 
1 1 1 -11 -23 7  o 150.861 4.1625  2767.05    152.370  2693.31    218.234  2837.19    212.833  148.660 6.0501  152.613 5.7476  -3.952606      8.344984 
1 1 1 -11 -23 8  f 81.261  3.5442  802.346    69.881   846.912    102.011  762.942    95.922   83.267  5.0733  79.020  5.0290  4.246597       7.143463 
1 1 1 -11 -23 9  o 222.322 5.1401  6015.79    277.282  6356.55    395.606  5686.74    388.754  228.191 7.1450  215.781 7.4250  12.41049       10.30446 
1 1 1 -11 -23 10 o 151.455 4.7495  2790.52    174.540  2818.10    218.303  2741.64    290.595  152.087 5.9157  149.533 8.0387  2.554962       9.980762 
1 1 1 -11 -23 11 o 115.334 3.7401  1616.51    104.666  1760.89    152.255  1487.15    144.120  120.278 5.2170  110.524 5.3741  9.754463       7.489843 
1 1 1 -11 -23 12 o 203.069 4.8621  5017.12    239.568  5280.00    342.012  4763.90    335.677  208.043 6.7752  197.577 7.0020  10.46605       9.743262 
1 1 1 -11 -23 13 o 145.683 4.0886  2580.02    144.528  2721.26    207.645  2447.30    201.290  149.473 5.7252  141.737 5.8529  7.736115       8.187505 
1 1 1 -11 -23 14 o 73.557  3.3567  657.307    59.911   569.226    94.605   716.281    77.412   68.119  5.7782  76.644  4.1784  -8.524765      7.130672 
1 1 1 -11 -23 15 o 63.928  3.3860  497.878    52.334   557.423    84.929   461.427    66.449   67.472  5.2284  61.434  4.4888  6.038025       6.890995 
1 1 1 -11 -23 16 o 106.925 4.7014  1390.74    121.974  0.0000     0.0000   1390.74    121.974  ?       ?       106.925 4.7014  0.000000       4.701350 
1 1 1 -11 -23 17 o 226.750 7.1605  6276.13    393.963  0.0000     0.0000   6276.13    393.963  ?       ?       226.750 7.1605  0.000000       7.160511 
1 1 1 -11 -23 18 o 104.328 4.6703  1323.95    118.225  0.0000     0.0000   1323.95    118.225  ?       ?       104.328 4.6703  0.000000       4.670275 
1 1 1 -11 -23 19 o 52.958  3.5310  342.270    45.113   333.460    75.576   347.147    56.229   51.958  6.1115  53.251  4.3910  -1.292889      7.525406 
1 1 1 -11 -23 20 o 66.582  3.3128  538.535    53.519   414.122    81.718   631.979    70.821   58.010  5.8873  71.989  4.0711  -13.97900      7.157804 
1 1 1 -11 -23 21 o 148.749 4.7223  2691.55    170.441  2504.25    212.598  3028.52    285.153  143.352 6.1121  157.473 7.4629  -14.12111      9.646407 
1 1 1 -11 -23 22 f 200.199 6.7156  4888.72    326.218  5037.77    469.910  4750.06    453.227  202.671 9.5556  196.813 9.4907  5.858047       13.46785 
1 1 1 -11 -23 23 o 109.930 5.0886  1470.66    135.731  1573.44    199.415  1381.93    185.271  113.292 7.2930  106.153 7.2362  7.138992       10.27378 
1 1 1 -11 -23 24 o 143.603 5.6159  2511.34    195.679  2474.52    284.990  2544.17    269.154  141.991 8.3081  144.094 7.7264  -2.102188      11.34555 
1 1 1 -11 -23 25 o 226.713 7.3884  6276.84    406.434  5771.10    583.302  6754.08    566.631  216.209 11.157  234.548 9.9565  -18.33902      14.95342 
1 1 1 -11 -23 26 o 62.162  3.4457  470.906    51.767   582.856    80.924   393.360    67.351   69.044  4.8615  56.643  4.9502  12.40131       6.938150 
1 1 1 -11 -23 27 o 136.391 3.8541  2260.96    127.547  2446.51    189.366  2106.89    172.559  141.743 5.5060  131.546 5.4063  10.19707       7.716474 
1 1 1 -11 -23 28 o 159.907 4.1561  3108.84    161.257  3349.45    237.839  2904.13    219.380  165.798 5.9121  154.390 5.8562  11.40846       8.321515 
1 1 1 -11 -23 29 o 55.348  3.8977  374.201    52.011   316.418    80.101   416.321    68.388   50.492  6.7038  58.290  4.8802  -7.797504      8.292029 
1 1 1 -11 -23 30 o 179.256 4.5184  3908.58    196.527  3766.92    287.793  4032.36    269.017  175.694 6.7509  181.877 6.0959  -6.182678      9.095831 
1 1 1 -11 -23 31 o 156.120 4.2269  2963.95    160.121  2846.92    236.596  3062.85    217.499  152.777 6.3824  158.556 5.6534  -5.779327      8.526189 
1 1 1 -11 -23 32 o 167.505 6.3479  3422.65    258.000  2927.43    385.298  3825.18    347.375  153.880 10.380  176.779 8.0985  -22.89920      13.16549 
1 1 1 -11 -23 33 o 175.189 6.4137  3745.14    272.633  3540.53    407.824  3910.47    366.587  169.362 9.9681  178.632 8.4577  -9.269791      13.07272 
1 1 1 -11 -23 34 o 185.046 6.4653  4180.13    290.290  4510.22    434.346  3913.66    390.250  191.569 9.3443  178.302 9.0500  13.26746       13.00839 
1 1 1 -11 -23 35 o 170.222 4.4315  3526.25    183.032  3514.81    271.176  3535.82    248.059  169.628 6.5886  170.232 6.0055  -0.6043854     8.914892 
1 1 1 -11 -23 36 o 60.167  3.8238  442.052    55.534   464.618    90.104   428.230    70.521   61.388  6.1312  59.081  4.9654  2.306767       7.889652 
1 1 1 -11 -23 37 o 175.772 4.4788  3762.34    191.020  3908.78    283.538  3640.64    258.483  178.783 6.5361  172.616 6.1715  6.167084       8.989319 
1 1 1 -11 -23 38 o 163.046 4.3675  3238.01    172.784  3203.01    258.113  3266.43    232.584  161.757 6.5763  163.500 5.8627  -1.743576      8.810180 
1 1 1 -11 -23 39 f 135.678 4.0319  2241.89    132.734  2397.94    201.381  2122.02    176.499  140.011 5.9278  131.782 5.5198  8.229156       8.099806 
1 1 1 -11 -23 40 o 66.696  3.7729  543.439    60.807   633.059    98.941   489.043    77.083   71.699  5.7352  63.074  5.0798  8.625572       7.661395 
1 1 1 -11 -23 41 o 97.248  3.7899  1152.32    89.427   1106.20    139.673  1184.36    116.418  94.767  6.1067  98.453  4.8734  -3.685394      7.812943 
1 1 1 -11 -23 42 o 69.477  3.8484  590.350    64.623   583.345    105.635  594.539    81.693   68.575  6.4235  69.558  4.8711  -0.9829559     8.061569 
1 1 1 -11 -23 43 o 74.116  3.7487  671.691    67.195   833.170    108.070  569.916    85.796   82.232  5.4471  67.988  5.2412  14.24398       7.559186 
1 1 1 -11 -23 44 o 17.790  6.3454  33.619     34.571   -11.0668   63.802   52.192     41.132   17.834  7.7906  20.996  6.9417  -3.161629      10.43455 
1 1 1 -11 -23 45 o 16.597  6.8842  9.4847     45.494   -0.0002    79.554   14.094     55.457   20.662  8.8614  18.492  7.6297  2.170473       11.69346 
1 1 1 -11 -23 46 o 68.591  5.5954  583.505    92.312   512.762    146.147  630.465    119.072  62.811  9.9186  70.887  7.0148  -8.075901      12.14849 
1 1 1 -11 -23 47 o 127.150 5.8054  1997.46    179.106  2088.65    268.352  1924.21    240.516  128.349 8.6676  123.529 8.0687  4.820297       11.84195 
1 1 1 -11 -23 48 o 85.272  3.8766  889.810    80.210   874.468    131.056  898.998    101.424  83.650  6.5082  85.353  4.9182  -1.703072      8.157498 
1 1 1 -11 -23 49 o 62.273  4.3128  477.909    64.765   399.179    115.863  513.688    78.107   55.458  8.9120  64.394  5.0392  -8.935062      10.23803 
1 1 1 -11 -23 50 o 19.681  7.1241  41.001     43.751   3.3187     87.013   53.752     50.615   21.625  9.2707  21.846  7.6901  -0.2215424     12.04508 
1 1 1 -11 -23 51 o 76.790  4.2335  725.911    78.576   663.806    137.274  756.175    95.827   72.095  7.9811  78.132  5.0823  -6.037308      9.461935 
1 1 1 -11 -23 52 o 42.184  7.0840  228.848    69.939   79.933     139.533  278.814    80.825   30.666  12.303  46.549  7.4041  -15.88220      14.35950 
1 1 1 -11 -23 53 o 66.939  5.9800  562.286    96.107   729.899    178.118  493.448    114.148  74.214  10.158  61.971  7.7616  12.24292       12.78389 
1 1 1 -11 -23 54 o 13.284  5.9600  -16.6343   39.858   32.705     90.878   -28.3855   44.351   23.705  9.7722  13.319  6.0977  10.38592       11.51863 
1 1 1 -11 -23 55 o 10.593  5.0876  -53.8449   38.012   -40.2099   90.613   -56.7568   41.874   19.476  8.8386  11.228  5.3785  8.248044       10.34641 
1 1 1 -11 -23 56 o 67.577  4.4971  567.199    73.317   402.888    138.952  630.594    86.310   53.822  11.011  71.062  5.0382  -17.24036      12.10904 
1 1 1 -11 -23 57 o 35.555  6.3317  163.962    52.622   228.154    110.652  145.201    59.819   40.166  11.021  33.006  7.6231  7.159588       13.40045 
1 1 1 -11 -23 58 o 77.183  4.9782  745.621    92.734   839.880    187.789  715.222    106.644  78.413  10.105  75.125  5.8978  3.288651       11.70030 
1 1 1 -11 -23 59 o 33.090  8.1995  148.556    65.499   258.359    148.411  121.995    72.992   41.484  13.145  29.982  9.1756  11.50168       16.03041 
1 1 1 -11 -23 60 f 63.835  5.3512  514.662    82.119   428.397    181.003  537.021    92.149   52.543  13.960  64.939  5.9130  -12.39534      15.16065 
1 1 1 -11 -23 61 o 21.937  9.0281  31.753     77.405   357.248    184.601  -37.6830   85.262   47.427  14.605  18.709  8.5226  28.71846       16.90971 
1 1 1 -11 -23 62 o 22.139  8.6936  45.123     68.242   -138.4615  179.446  76.162     73.785   24.207  11.464  25.346  9.2398  -1.139257      14.72426 
1 1 1 -11 -23 63 o 26.778  8.4286  94.997     61.103   271.965    153.069  61.451     66.644   42.305  13.343  23.483  8.7426  18.82287       15.95244 
1 1 1 -11 -23 64 o 37.915  13.678  211.712    161.087  211.712    161.087  0.0000     0.0000   37.915  13.678  ?       ?       0.000000       13.67815 
1 1 1 -11 -23 65 o 43.696  18.069  329.937    312.013  329.937    312.013  0.0000     0.0000   43.696  18.069  ?       ?       0.000000       18.06882 
1 1 1 -11 -22 1  o 132.669 5.5094  2143.82    177.352  1857.21    240.418  2485.98    262.686  122.940 8.1050  142.408 7.6300  -19.46702      11.13135 
1 1 1 -11 -22 2  o 65.451  4.9198  524.235    77.561   610.187    102.997  411.650    117.879  70.496  6.0809  57.336  8.7505  13.16034       10.65586 
1 1 1 -11 -22 3  o 174.600 6.3288  3716.85    268.119  4006.04    370.337  3398.30    388.681  180.918 8.4363  166.128 9.6844  14.79008       12.84363 
1 1 1 -11 -22 4  o 145.573 5.7164  2581.20    201.915  2581.20    201.915  0.0000     0.0000   145.573 5.7164  ?       ?       0.000000       5.716404 
1 1 1 -11 -22 5  o 218.454 7.3189  5826.95    387.944  5826.95    387.944  0.0000     0.0000   218.454 7.3189  ?       ?       0.000000       7.318881 
1 1 1 -11 -22 6  o 198.244 4.8130  4781.11    231.517  4854.15    330.048  4710.36    324.843  199.477 6.8190  196.501 6.8131  2.975784       9.639359 
1 1 1 -11 -22 7  o 246.710 5.5890  7411.51    334.568  7198.73    476.137  7619.04    470.220  242.655 8.0868  249.714 7.7606  -7.059204      11.20817 
1 1 1 -11 -22 8  o 183.882 4.5445  4112.13    202.764  4308.30    290.217  3925.06    283.408  187.999 6.3621  179.423 6.5098  8.576416       9.102463 
1 1 1 -11 -22 9  o 173.872 4.3972  3676.02    185.512  3961.53    265.435  3403.40    259.378  180.314 6.0669  167.090 6.3976  13.22415       8.816836 
1 1 1 -11 -22 10 o 128.714 4.4528  2014.62    139.066  1947.77    174.818  2129.82    229.496  126.467 5.6970  131.904 7.1978  -5.436623      9.179519 
1 1 1 -11 -22 11 o 113.431 3.7307  1563.52    102.679  1699.13    149.659  1442.91    141.135  118.156 5.2202  108.875 5.3425  9.280556       7.469405 
1 1 1 -11 -22 12 o 258.600 6.5683  8154.19    412.144  8356.97    509.162  7768.83    701.900  261.472 8.0254  251.109 11.520  10.36359       14.03979 
1 1 1 -11 -22 13 o 59.909  3.4447  437.473    49.862   611.589    81.161   331.911    63.194   70.748  4.7555  51.981  5.0751  18.76714       6.954941 
1 1 1 -11 -22 14 o 310.891 6.5596  11785.23   494.820  11792.47   708.101  11778.33   691.747  310.164 9.4089  310.050 9.1950  0.1144104      13.15582 
1 1 1 -11 -22 15 o 156.398 5.5596  2978.32    210.981  0.0000     0.0000   2978.32    210.981  ?       ?       156.398 5.5596  0.000000       5.559644 
1 1 1 -11 -22 16 o 173.858 5.9412  3682.29    250.631  0.0000     0.0000   3682.29    250.631  ?       ?       173.858 5.9412  0.000000       5.941228 
1 1 1 -11 -22 17 o 169.589 5.8537  3503.23    240.876  0.0000     0.0000   3503.23    240.876  ?       ?       169.589 5.8537  0.000000       5.853726 
1 1 1 -11 -22 18 o 171.698 4.2778  3584.24    178.217  3801.98    261.326  3394.92    243.674  176.642 6.0971  166.928 6.0161  9.714279       8.565530 
1 1 1 -11 -22 19 o 296.779 6.3639  10736.24   458.267  10141.10   656.174  11302.92   640.293  287.635 9.4019  303.893 8.6835  -16.25845      12.79835 
1 1 1 -11 -22 20 o 58.744  3.3463  420.563    47.499   431.298    72.681   412.561    62.754   59.317  5.0994  58.074  4.4883  1.243073       6.793323 
1 1 1 -11 -22 21 o 245.000 5.4315  7307.33    322.885  7293.30    464.802  7320.41    448.871  244.312 7.8408  244.827 7.5561  -0.5158386     10.88911 
1 1 1 -11 -22 22 o 116.990 5.1828  1665.65    147.121  1630.95    215.764  1695.81    201.127  115.287 7.7583  117.677 7.0768  -2.389549      10.50111 
1 1 1 -11 -22 23 o 125.477 5.3354  1916.44    162.439  1721.86    237.374  2087.81    222.768  118.373 8.3173  130.618 7.0550  -12.24535      10.90647 
1 1 1 -11 -22 24 o 185.459 6.4169  4192.81    288.760  4201.76    416.574  4184.54    400.630  184.942 9.3129  184.863 8.9316  0.7952881E-01  12.90365 
1 1 1 -11 -22 25 o 187.160 6.4356  4270.25    292.260  4416.78    421.595  4134.70    405.509  189.879 9.1507  183.726 9.0963  6.152954       12.90266 
1 1 1 -11 -22 26 o 231.740 5.2346  6536.26    294.341  6571.00    425.605  6504.41    407.508  231.953 7.5621  230.831 7.2757  1.121384       10.49390 
1 1 1 -11 -22 27 o 187.432 4.5682  4272.54    207.756  4234.69    303.126  4306.06    285.305  186.336 6.7044  187.964 6.2556  -1.627747      9.169639 
1 1 1 -11 -22 28 o 212.095 4.9544  5473.48    254.967  5397.56    370.275  5541.95    351.605  210.269 7.2575  213.144 6.7986  -2.875198      9.944426 
1 1 1 -11 -22 29 o 114.317 3.7293  1588.11    103.443  1538.46    153.898  1629.03    139.709  112.251 5.6687  115.704 4.9763  -3.453476      7.543117 
1 1 1 -11 -22 30 o 176.817 4.5350  3802.58    194.564  3383.91    285.190  4167.10    266.110  166.502 7.0591  184.933 5.9304  -18.43152      9.219580 
1 1 1 -11 -22 31 o 83.037  3.7306  837.982    75.164   637.259    113.848  993.082    100.076  71.983  6.5914  90.240  4.5856  -18.25681      8.029607 
1 1 1 -11 -22 32 o 110.312 5.2477  1481.55    140.461  1813.32    217.642  1244.72    183.882  121.605 7.4115  100.638 7.5861  20.96638       10.60561 
1 1 1 -11 -22 33 o 73.047  5.2675  653.089    92.735   566.867    152.356  703.831    116.880  67.289  9.6039  75.690  6.4248  -8.400856      11.55480 
1 1 1 -11 -22 34 o 180.459 6.4730  3974.09    283.434  3972.44    425.509  3975.41    380.010  179.487 9.8075  180.066 8.6976  -0.5788116     13.10859 
1 1 1 -11 -22 35 o 163.393 4.9531  3250.74    196.369  3403.28    369.213  3190.57    231.886  166.202 9.1911  161.750 5.9084  4.452713       10.92632 
1 1 1 -11 -22 36 o 55.611  3.9936  378.074    53.529   396.957    86.280   366.257    68.253   56.665  6.3867  54.580  5.2173  2.084724       8.246806 
1 1 1 -11 -22 37 o 83.792  4.4667  857.165    90.486   895.647    117.886  801.980    141.170  85.490  5.7160  80.611  7.2966  4.879585       9.268909 
1 1 1 -11 -22 38 o 113.917 4.6174  1580.87    127.628  1573.36    163.242  1592.69    204.701  113.338 5.9569  113.730 7.4592  -0.3922424     9.545907 
1 1 1 -11 -22 39 o 30.710  5.5971  118.742    40.170   91.376     69.657   132.378    49.170   27.673  9.0279  32.318  6.4956  -4.645264      11.12185 
1 1 1 -11 -22 40 o 54.833  4.0221  368.183    53.139   482.369    87.244   300.837    67.002   62.529  5.8170  49.275  5.7098  13.25432       8.151011 
1 1 1 -11 -22 41 o 94.333  3.7672  1083.94    86.228   1045.49    135.319  1110.22    111.885  92.154  6.0860  95.222  4.8587  -3.067993      7.787596 
1 1 1 -11 -22 42 o 69.263  3.8161  586.482    63.886   612.518    104.011  570.709    80.958   70.370  6.1534  68.148  4.9293  2.221794       7.884304 
1 1 1 -11 -22 43 o 50.315  4.1545  311.119    50.266   345.388    85.283   292.877    62.223   52.490  6.8602  48.594  5.3667  3.895489       8.710025 
1 1 1 -11 -22 44 o 57.154  3.9921  400.762    55.014   376.855    90.895   414.583    69.110   54.777  6.9987  57.963  4.9617  -3.186356      8.579084 
1 1 1 -11 -22 45 o 35.459  6.3882  159.830    52.942   124.841    74.690   195.159    75.052   31.201  9.2232  38.836  8.2208  -7.635504      12.35508 
1 1 1 -11 -22 46 o 54.898  5.9804  376.164    78.373   331.863    122.419  406.932    102.021  50.170  10.398  56.656  7.6140  -6.485744      12.88757 
1 1 1 -11 -22 47 o 69.204  5.6014  594.278    93.250   538.781    145.603  632.869    121.417  64.497  9.5963  70.947  7.1507  -6.449211      11.96747 
1 1 1 -11 -22 48 o 145.332 4.3397  2589.42    153.032  2566.48    236.408  2605.97    200.772  143.611 6.7844  145.250 5.6967  -1.638397      8.858899 
1 1 1 -11 -22 49 o 89.877  4.0264  989.259    87.806   1024.03    146.089  969.592    109.866  90.468  6.7028  88.578  5.1338  1.889587       8.442963 
1 1 1 -11 -22 50 o 65.797  4.3178  533.354    68.551   532.664    121.082  533.680    83.163   64.634  7.8841  65.574  5.2713  -0.9402008     9.483939 
1 1 1 -11 -22 51 o 62.304  6.8116  490.043    101.297  686.330    145.201  303.935    141.386  73.210  8.3219  46.986  12.269  26.22390       14.82485 
1 1 1 -11 -22 52 o 47.539  6.6775  287.411    74.900   306.793    147.778  280.711    86.887   46.945  12.676  46.533  7.9828  0.4118614      14.98052 
1 1 1 -11 -22 53 o 48.079  6.7004  294.597    76.043   257.199    150.636  307.387    88.091   42.920  13.189  48.774  7.6990  -5.854088      15.27183 
1 1 1 -11 -22 54 o 24.474  7.0822  77.358     44.459   -29.0785   93.187   108.724    50.587   20.403  9.1362  28.793  7.2464  -8.390123      11.66109 
1 1 1 -11 -22 55 o 52.928  4.9119  349.762    62.362   328.752    116.359  358.228    73.867   49.198  10.086  53.276  5.8083  -4.077873      11.63891 
1 1 1 -11 -22 56 o 72.455  4.4150  650.882    77.248   751.942    140.500  607.097    92.480   76.303  7.6937  69.544  5.5261  6.759415       9.472643 
1 1 1 -11 -22 57 o 50.632  5.0537  322.004    61.257   368.775    122.744  306.491    70.689   51.820  10.125  49.019  6.0733  2.801407       11.80677 
1 1 1 -11 -22 58 o 64.615  5.2269  524.745    81.246   618.002    169.561  496.953    92.563   66.660  10.857  62.437  6.1915  4.223042       12.49843 
1 1 1 -11 -22 59 o 28.352  8.3845  107.864    61.712   112.092    144.378  106.919    68.262   31.704  12.583  28.316  8.9080  3.387516       15.41686 
1 1 1 -11 -22 60 o 22.107  8.2903  52.276     60.138   -68.2290   134.881  82.175     67.186   22.651  10.465  25.605  8.8689  -2.953623      13.71777 
1 1 1 -11 -22 61 o 25.894  9.5740  78.235     79.649   140.637    169.573  60.571     90.221   34.199  13.617  25.181  9.9617  9.018515       16.87147 
1 1 1 -11 -22 62 o 35.360  9.3961  173.186    81.990   27.375     178.484  212.184    92.306   29.502  12.955  38.991  9.7750  -9.489426      16.22899 
1 1 1 -11 -22 63 o 31.263  12.563  104.544    145.720  104.544    145.720  0.0000     0.0000   31.263  12.563  ?       ?       0.000000       12.56253 
1 1 1 -11 -22 64 o 39.666  13.873  237.201    164.591  237.201    164.591  0.0000     0.0000   39.666  13.873  ?       ?       0.000000       13.87339 
1 1 1 -11 -22 65 o 45.667  9.3149  289.612    99.719   450.997    287.179  267.485    106.335  49.081  18.173  43.278  10.279  5.803463       20.87859 
1 1 1 -11 -21 1  o 82.619  4.8768  833.394    97.330   756.480    130.885  928.545    145.576  78.432  6.9494  86.956  6.9579  -8.523888      9.833981 
1 1 1 -11 -21 2  o 183.177 6.4164  4090.71    285.183  3870.31    394.329  4332.39    412.934  177.490 9.1878  188.057 9.0495  -10.56757      12.89611 
1 1 1 -11 -21 3  o 78.528  6.6202  757.238    124.965  757.238    124.965  0.0000     0.0000   78.528  6.6202  ?       ?       0.000000       6.620214 
1 1 1 -11 -21 4  o 269.206 11.797  8934.11    770.598  8934.11    770.598  0.0000     0.0000   269.206 11.797  ?       ?       0.000000       11.79721 
1 1 1 -11 -21 5  o 32.115  6.2687  129.994    47.094   116.862    61.300   148.909    73.569   30.401  8.1456  34.239  8.8057  -3.837946      11.99541 
1 1 1 -11 -21 6  o 139.269 4.0087  2357.45    135.465  2378.35    194.759  2337.85    188.545  139.750 5.7436  138.567 5.6078  1.182938       8.027175 
1 1 1 -11 -21 7  o 276.208 5.9607  9293.27    399.483  9753.88    568.195  8843.03    561.767  282.437 8.2911  268.844 8.6118  13.59326       11.95428 
1 1 1 -11 -21 8  o 173.575 4.3830  3663.21    184.598  3976.49    264.295  3364.81    257.944  180.669 6.0289  166.150 6.3982  14.51881       8.791235 
1 1 1 -11 -21 9  o 83.174  3.4577  840.427    69.781   917.679    102.315  773.243    95.415   86.717  4.8825  79.569  4.9669  7.148323       6.964850 
1 1 1 -11 -21 10 o 165.720 4.2955  3338.90    172.724  3541.84    246.724  3143.84    241.886  170.515 5.9633  160.622 6.2064  9.892899       8.606983 
1 1 1 -11 -21 11 o 240.495 5.2815  7039.43    308.194  7777.24    443.668  6351.41    428.436  252.428 7.2436  228.021 7.7437  24.40770       10.60353 
1 1 1 -11 -21 12 o 94.726  3.4210  1090.09    78.629   1090.10    120.108  1090.08    104.016  94.495  5.2592  94.678  4.5278  -0.1832504     6.939783 
1 1 1 -11 -21 13 o 206.965 4.8235  5210.69    242.227  5245.60    350.977  5178.94    334.722  207.353 6.9760  206.077 6.6941  1.275970       9.668224 
1 1 1 -11 -21 14 o 168.768 5.8133  3469.05    238.055  0.0000     0.0000   3469.05    238.055  ?       ?       168.768 5.8133  0.000000       5.813328 
1 1 1 -11 -21 15 o 285.602 8.5397  9979.78    591.792  0.0000     0.0000   9979.78    591.792  ?       ?       285.602 8.5397  0.000000       8.539712 
1 1 1 -11 -21 16 o 28.978  5.3941  105.497    36.531   0.0000     0.0000   105.497    36.531   ?       ?       28.978  5.3941  0.000000       5.394092 
1 1 1 -11 -21 17 o 298.315 6.2931  10846.11   455.512  11220.77   652.670  10490.31   636.035  302.736 8.8852  292.695 8.9557  10.04089       12.61551 
1 1 1 -11 -21 18 o 161.115 4.1363  3155.48    161.701  3090.12    235.692  3213.60    222.257  159.253 6.0995  162.454 5.6385  -3.201370      8.306385 
1 1 1 -11 -21 19 o 201.539 4.7862  4940.81    234.051  4495.36    338.597  5348.39    323.888  191.909 7.2715  209.474 6.3724  -17.56514      9.668615 
1 1 1 -11 -21 20 o 91.999  3.3865  1028.20    75.595   959.475    112.784  1084.26    101.864  88.634  5.2680  94.429  4.4458  -5.795464      6.893241 
1 1 1 -11 -21 21 o 250.849 5.4761  7660.31    333.308  8110.52    479.613  7239.77    463.536  257.691 7.6706  243.427 7.8478  14.26357       10.97390 
1 1 1 -11 -21 22 o 165.186 4.2087  3317.08    168.688  3343.19    246.595  3294.13    231.264  165.647 6.1353  164.465 5.7952  1.181961       8.439597 
1 1 1 -11 -21 23 o 88.821  4.9169  962.672    105.554  981.806    156.533  946.716    142.943  89.399  7.2794  87.854  6.7574  1.545761       9.932419 
1 1 1 -11 -21 24 o 177.332 6.2377  3831.96    268.395  3897.81    387.364  3771.16    372.223  178.209 8.9873  175.549 8.7386  2.659592       12.53530 
1 1 1 -11 -21 25 o 276.974 8.4954  9383.21    570.937  9481.75    815.357  9288.42    799.722  277.262 12.120  274.462 12.009  2.800262       17.06150 
1 1 1 -11 -21 26 o 135.622 5.4991  2239.14    180.962  2284.79    263.614  2198.45    248.862  136.510 7.9936  133.949 7.6891  2.559921       11.09142 
1 1 1 -11 -21 27 f 34.224  4.3548  144.690    35.343   114.864    55.961   164.481    45.586   30.095  7.6478  36.382  5.3212  -6.287163      9.316835 
1 1 1 -11 -21 28 o 253.493 5.5611  7823.56    342.053  8216.67    493.926  7461.30    474.152  259.329 7.8496  247.109 7.9080  12.22052       11.14235 
1 1 1 -11 -21 29 o 76.818  3.4915  716.933    65.080   615.657    99.994   791.360    85.720   70.855  5.8690  80.554  4.4023  -9.699600      7.336593 
1 1 1 -11 -21 30 o 181.233 4.5516  3994.54    200.154  3984.81    292.909  4003.08    274.144  180.759 6.6784  181.234 6.2341  -0.4747772     9.135907 
1 1 1 -11 -21 31 o 81.690  3.6248  810.875    71.849   870.705    110.931  767.639    94.301   84.393  5.4464  79.277  4.9267  5.115005       7.344090 
1 1 1 -11 -21 32 o 156.634 5.9970  2989.69    227.921  2927.61    343.498  3038.52    304.646  154.270 9.2187  157.439 8.0011  -3.169678      12.20667 
1 1 1 -11 -21 33 o 75.133  5.2886  690.649    95.797   571.779    157.214  760.851    120.818  67.546  9.8849  78.734  6.3790  -11.18744      11.76446 
1 1 1 -11 -21 34 o 118.029 5.5143  1696.94    157.924  1495.08    247.691  1835.20    204.994  109.985 9.3707  122.408 6.9303  -12.42332      11.65504 
1 1 1 -11 -21 35 o 100.956 5.3214  1244.85    129.894  1301.25    208.779  1209.23    165.916  102.713 8.4522  99.264  6.9321  3.449211       10.93132 
1 1 1 -11 -21 36 o 129.243 3.9434  2031.26    123.664  2148.01    187.283  1941.01    164.666  132.724 5.8155  126.213 5.3770  6.511009       7.920342 
1 1 1 -11 -21 37 o 149.998 4.9592  2740.63    180.495  2793.50    227.986  2651.83    295.447  151.265 6.2116  146.785 8.3297  4.480728       10.39074 
1 1 1 -11 -21 38 o 87.768  3.7193  936.899    79.207   1079.74    124.268  839.159    102.793  93.927  5.4764  82.812  5.1411  11.11473       7.511463 
1 1 1 -11 -21 39 o 167.525 4.4272  3418.53    179.957  3565.43    269.148  3299.76    242.006  170.691 6.4985  164.299 6.0705  6.392319       8.892841 
1 1 1 -11 -21 40 o 128.238 4.0157  2002.64    124.953  1968.00    191.273  2028.43    165.036  126.791 6.2173  128.885 5.2773  -2.093697      8.155051 
1 1 1 -11 -21 41 o 45.892  4.3338  259.045    47.687   302.509    78.310   233.429    60.119   49.197  6.7372  43.280  5.8768  5.917011       8.940150 
1 1 1 -11 -21 42 o 71.899  3.8556  631.788    67.018   589.821    107.846  658.190    85.540   68.985  6.5203  73.238  4.8409  -4.253197      8.120826 
1 1 1 -11 -21 43 o 109.509 3.8887  1462.48    103.326  1504.13    161.347  1433.52    134.532  110.494 6.0409  108.213 5.1237  2.281929       7.921200 
1 1 1 -11 -21 44 o 109.744 3.9004  1469.76    103.862  1512.42    161.934  1439.95    135.374  110.711 6.0511  108.390 5.1473  2.321388       7.944207 
1 1 1 -11 -21 45 o 10.155  4.8130  -38.1317   31.752   -31.6662   58.525   -40.8287   37.798   15.712  7.1198  11.329  5.3338  4.382973       8.896134 
1 1 1 -11 -21 46 o 56.678  5.9639  400.402    80.788   392.909    125.467  405.708    105.590  54.968  9.7649  56.499  7.9198  -1.531525      12.57285 
1 1 1 -11 -21 47 o 41.107  6.8222  215.033    65.660   195.417    106.811  226.949    83.248   38.423  10.934  41.794  8.4986  -3.370609      13.84838 
1 1 1 -11 -21 48 o 93.875  3.9442  1078.17    89.841   1075.10    143.979  1080.13    114.969  92.894  6.4273  93.570  5.0829  -0.6765366     8.194237 
1 1 1 -11 -21 49 o 118.661 4.1387  1724.84    119.163  1894.72    190.274  1615.21    152.850  123.402 6.3765  114.405 5.5062  8.996536       8.424830 
1 1 1 -11 -21 50 o 118.587 4.1885  1723.76    120.520  1674.81    193.356  1754.86    154.121  115.683 6.9202  119.277 5.3253  -3.593391      8.732031 
1 1 1 -11 -21 51 o 48.552  5.2365  294.031    60.713   270.192    146.720  298.956    66.691   44.314  12.878  48.831  5.7381  -4.516628      14.09856 
1 1 1 -11 -21 52 o 40.991  7.3352  216.787    70.278   281.910    148.213  197.897    79.823   45.065  12.899  38.727  8.7064  6.338879       15.56254 
1 1 1 -11 -21 53 o 51.850  6.4139  340.321    78.971   532.143    156.505  274.797    91.470   63.089  10.600  45.775  8.5499  17.31408       13.61817 
1 1 1 -11 -21 54 o 35.611  6.0627  162.269    50.509   120.703    100.022  176.497    58.519   31.126  10.819  36.962  6.7746  -5.836309      12.76505 
1 1 1 -11 -21 55 o 39.421  5.8132  197.704    53.935   192.979    108.321  199.262    62.193   37.469  11.115  39.274  6.7710  -1.804554      13.01471 
1 1 1 -11 -21 56 o 48.064  5.1278  290.062    58.879   261.539    116.718  299.798    68.192   43.249  11.074  48.614  5.9021  -5.364231      12.54892 
1 1 1 -11 -21 57 o 53.054  4.9505  352.631    62.992   307.615    127.131  367.279    72.520   46.626  11.345  53.912  5.6268  -7.285194      12.66380 
1 1 1 -11 -21 58 o 43.420  6.8276  245.000    69.558   187.703    139.809  263.848    80.186   36.672  12.789  44.731  7.6637  -8.059444      14.90906 
1 1 1 -11 -21 59 o 31.957  8.1703  138.043    63.598   163.751    132.962  130.416    72.420   34.702  12.437  30.962  9.0619  3.739620       15.38840 
1 1 1 -11 -21 60 o 38.401  7.4856  195.838    67.241   213.809    136.852  190.119    77.203   38.343  12.661  37.337  8.6855  1.006271       15.35389 
1 1 1 -11 -21 61 o 26.821  9.4760  89.573     76.922   116.865    172.221  82.771     85.974   33.171  13.537  26.688  9.9311  6.482246       16.78946 
1 1 1 -11 -21 62 o 34.135  10.673  162.375    98.154   141.523    179.834  171.223    117.142  34.753  13.959  34.995  11.719  -0.2417984     18.22628 
1 1 1 -11 -21 63 o 20.277  9.6765  -138.0363  132.796  -138.0363  132.796  0.0000     0.0000   20.277  9.6765  ?       ?       0.000000       9.676524 
1 1 1 -11 -21 64 o 39.703  7.2500  208.595    67.270   225.118    156.738  204.864    74.478   38.940  13.543  38.948  8.1430  -0.8380890E-02 15.80253 
1 1 1 -11 -21 65 o 24.274  9.7386  53.250     87.421   -191.2906  313.088  73.928     91.042   30.549  14.653  26.071  10.096  4.477785       17.79480 
1 1 1 -11 -20 1  o 189.284 6.5536  4368.17    300.996  4269.32    416.940  4475.76    434.978  186.685 9.2045  191.110 9.3804  -4.424683      13.14206 
1 1 1 -11 -20 2  o 78.214  6.6239  751.125    124.528  751.125    124.528  0.0000     0.0000   78.214  6.6239  ?       ?       0.000000       6.623934 
1 1 1 -11 -20 3  o 289.873 12.526  10373.69   881.012  10373.69   881.012  0.0000     0.0000   289.873 12.526  ?       ?       0.000000       12.52592 
1 1 1 -11 -20 4  o 102.271 5.0471  1272.54    125.243  1283.37    171.270  1260.09    183.616  102.344 6.9379  101.320 7.5225  1.024506       10.23336 
1 1 1 -11 -20 5  o 6.2143  3.1276  -67.3506   21.474   -46.5993   25.283   -121.0750  40.681   8.1163  3.9569  8.7233  4.3793  -0.6070442     5.902194 
1 1 1 -11 -20 6  o 251.018 7.9500  7698.36    484.210  7833.59    678.498  7558.02    691.231  252.381 11.080  247.773 11.498  4.607681       15.96725 
1 1 1 -11 -20 7  o 162.824 6.0161  3229.44    237.682  3065.09    331.224  3403.90    341.266  158.051 8.6700  166.624 8.4688  -8.572739      12.11983 
1 1 1 -11 -20 8  o 268.980 5.8500  8811.39    381.805  9342.30    542.603  8290.73    537.342  276.481 8.0882  260.356 8.5059  16.12567       11.73751 
1 1 1 -11 -20 9  o 179.331 5.1263  3913.26    223.060  4125.98    277.250  3522.87    375.588  184.014 6.2095  169.357 9.1742  14.65617       11.07805 
1 1 1 -11 -20 10 o 132.743 3.7550  2141.19    120.944  2156.56    178.119  2128.04    164.744  133.095 5.5155  132.243 5.1342  0.8522797      7.535293 
1 1 1 -11 -20 11 o 97.403  3.3684  1152.48    79.608   1266.76    119.759  1062.01    106.560  102.048 4.8366  93.324  4.7212  8.723167       6.758851 
1 1 1 -11 -20 12 o 55.908  3.2547  380.952    43.961   352.188    69.437   400.194    56.793   53.518  5.4220  57.232  4.1172  -3.713440      6.808100 
1 1 1 -11 -20 13 o 148.383 4.4522  2677.16    160.295  3071.79    289.784  2503.18    192.412  158.614 7.5296  143.394 5.5302  15.22018       9.342225 
1 1 1 -11 -20 14 o 91.822  4.4922  1025.20    100.086  0.0000     0.0000   1025.20    100.086  ?       ?       91.822  4.4922  0.000000       4.492231 
1 1 1 -11 -20 15 o 169.667 5.8349  3505.83    240.213  0.0000     0.0000   3505.83    240.213  ?       ?       169.667 5.8349  0.000000       5.834898 
1 1 1 -11 -20 16 o 178.499 4.3554  3873.73    188.638  4157.84    275.034  3621.35    259.217  184.735 6.1358  172.398 6.1968  12.33698       8.720575 
1 1 1 -11 -20 17 o 95.191  3.3962  1100.76    78.442   1086.88    117.650  1111.87    105.251  94.370  5.1576  95.622  4.5363  -1.252228      6.868683 
1 1 1 -11 -20 18 o 148.950 3.9362  2696.35    142.260  2892.52    208.180  2524.49    194.852  154.139 5.5662  143.999 5.5767  10.14037       7.879282 
1 1 1 -11 -20 19 o 50.824  3.8609  315.710    47.257   198.021    90.834   359.386    55.335   39.419  9.5887  54.207  4.2409  -14.78791      10.48465 
1 1 1 -11 -20 20 o 100.987 3.4614  1238.94    84.816   1172.83    126.578  1292.81    114.261  98.019  5.3422  103.107 4.5672  -5.087616      7.028414 
1 1 1 -11 -20 21 o 133.516 3.8089  2166.29    123.394  2049.99    181.753  2265.73    168.061  129.745 5.7733  136.460 5.0757  -6.714691      7.687290 
1 1 1 -11 -20 22 o 182.618 4.4778  4055.09    198.415  3922.22    288.525  4174.31    273.297  179.361 6.6297  185.107 6.0848  -5.745987      8.998775 
1 1 1 -11 -20 23 o 279.930 8.5743  9584.92    582.390  9391.50    830.904  9771.70    816.531  275.862 12.414  281.564 11.952  -5.702789      17.23195 
1 1 1 -11 -20 24 o 164.989 5.9815  3315.66    239.457  3464.38    345.720  3178.53    331.984  168.099 8.5037  160.992 8.5290  7.106918       12.04397 
1 1 1 -11 -20 25 o 260.691 8.1089  8304.94    512.924  8239.56    732.498  8367.84    718.474  258.663 11.671  260.772 11.355  -2.109222      16.28336 
1 1 1 -11 -20 26 o 22.959  7.3226  62.935     46.000   44.484     70.336   76.725     60.807   23.231  8.9065  25.632  8.4385  -2.400860      12.26926 
1 1 1 -11 -20 27 o 99.060  3.5551  1192.17    85.450   1125.60    128.893  1244.36    114.136  95.999  5.5573  101.155 4.6502  -5.156158      7.246209 
1 1 1 -11 -20 28 o 284.000 6.0644  9825.18    417.899  10445.33   600.877  9244.19    581.591  292.259 8.4733  274.878 8.7199  17.38116       12.15870 
1 1 1 -11 -20 29 o 67.592  3.5595  556.594    58.171   663.792    90.038   479.789    76.213   73.690  5.0664  62.594  5.0613  11.09620       7.161371 
1 1 1 -11 -20 30 o 197.063 4.7832  4723.57    228.711  4609.65    333.573  4824.65    314.189  194.373 7.0728  198.941 6.5088  -4.567245      9.611938 
1 1 1 -11 -20 31 o 8.9682  4.3548  -51.7089   29.792   -42.0657   50.486   -56.8611   36.902   13.825  6.3927  10.321  4.9707  3.504277       8.097784 
1 1 1 -11 -20 32 o 173.754 4.5061  3671.53    189.978  3329.89    279.020  3966.80    259.391  165.199 6.9609  180.448 5.9243  -15.24979      9.140659 
1 1 1 -11 -20 33 o 204.639 6.9747  5110.70    346.319  5089.04    515.295  5128.55    467.695  203.191 10.487  204.498 9.4256  -1.307175      14.10069 
1 1 1 -11 -20 34 f 136.226 5.6901  2260.66    188.081  2372.98    290.553  2179.65    246.756  138.933 8.6621  133.326 7.6598  5.606842       11.56308 
1 1 1 -11 -20 35 o 213.413 7.2030  5563.93    372.990  5539.06    554.896  5584.44    503.775  211.751 10.836  213.197 9.7385  -1.446808      14.56925 
1 1 1 -11 -20 36 o 95.908  3.7544  1118.20    87.369   1087.35    135.532  1140.13    114.284  94.247  5.9573  96.654  4.8890  -2.407005      7.706599 
1 1 1 -11 -20 37 o 126.730 3.9478  1953.18    121.394  2060.86    184.259  1870.61    161.363  129.990 5.8419  123.895 5.3677  6.094551       7.933460 
1 1 1 -11 -20 38 o 55.381  4.0677  375.149    54.278   452.338    88.153   328.016    68.884   60.571  6.0800  51.561  5.5958  9.010490       8.263186 
1 1 1 -11 -20 39 o 83.174  3.7615  841.588    75.913   851.052    118.714  835.040    98.740   83.268  5.9142  82.621  4.9481  0.6461105      7.711123 
1 1 1 -11 -20 40 o 36.459  5.0004  165.143    43.071   180.226    73.609   157.290    53.112   37.542  8.3013  35.309  6.4365  2.233238       10.50428 
1 1 1 -11 -20 41 o 63.782  3.9360  497.354    60.617   585.862    99.296   444.777    76.532   68.923  5.9972  60.106  5.3020  8.817684       8.004852 
1 1 1 -11 -20 42 o 75.537  3.8651  697.049    70.604   712.701    114.101  687.337    89.878   75.968  6.2454  74.838  4.9780  1.129684       7.986530 
1 1 1 -11 -20 43 o 196.493 4.8949  4721.23    233.373  4846.54    346.666  4617.38    315.597  198.175 7.2094  193.649 6.7166  4.525711       9.853352 
1 1 1 -11 -20 44 f 184.926 4.7540  4183.87    213.314  4236.86    318.611  4140.83    287.174  185.146 7.0922  183.326 6.4559  1.820511       9.590547 
1 1 1 -11 -20 45 o 65.147  4.0246  520.307    63.307   479.130    103.717  544.758    79.923   61.836  7.0380  66.484  4.9908  -4.648273      8.627977 
1 1 1 -11 -20 46 o 44.806  6.6613  253.557    70.217   217.180    115.801  274.709    88.302   40.505  11.336  46.259  8.1655  -5.754055      13.97040 
1 1 1 -11 -20 47 o 81.114  5.6286  814.461    110.095  893.123    168.082  755.354    145.701  83.986  8.3592  77.363  7.8714  6.622086       11.48193 
1 1 1 -11 -20 48 o 79.851  3.9605  779.979    76.735   644.068    126.110  859.883    96.696   71.494  7.3756  83.551  4.7897  -12.05640      8.794363 
1 1 1 -11 -20 49 o 88.871  4.0987  967.094    88.382   890.171    147.947  1009.78    110.209  84.130  7.3205  90.463  5.0409  -6.332870      8.888201 
1 1 1 -11 -20 50 o 109.924 4.1525  1480.50    110.757  1486.96    179.844  1476.55    140.578  109.058 6.8308  109.442 5.2938  -0.3841400     8.642027 
1 1 1 -11 -20 51 o 24.422  7.3301  75.678     46.908   58.664     120.502  78.716     50.924   28.234  11.396  24.967  7.6680  3.267447       13.73579 
1 1 1 -11 -20 52 o 33.874  7.9207  150.288    63.939   127.529    132.442  157.204    73.010   33.375  12.345  34.508  8.7169  -1.133049      15.11203 
1 1 1 -11 -20 53 f 22.478  8.1828  54.340     57.840   171.866    135.455  28.133     63.964   36.495  12.596  20.632  8.3116  15.86268       15.09092 
1 1 1 -11 -20 54 o 59.997  4.6577  446.470    67.273   418.370    124.805  457.978    79.870   56.204  9.4896  60.513  5.4996  -4.309544      10.96810 
1 1 1 -11 -20 55 o 76.903  4.3617  731.112    81.053   699.967    148.351  744.366    96.774   73.386  8.4880  77.303  5.1894  -3.917618      9.948687 
1 1 1 -11 -20 56 o 51.028  5.4057  327.577    65.911   257.418    120.195  357.747    78.819   42.832  11.374  53.048  6.2429  -10.21595      12.97465 
1 1 1 -11 -20 57 o 41.192  6.3494  218.309    61.422   294.644    111.868  185.365    73.490   46.212  10.245  37.185  8.3496  9.027390       13.21684 
1 1 1 -11 -20 58 o 35.347  7.7661  166.668    64.788   169.323    130.379  165.797    74.658   35.241  12.346  34.918  8.8116  0.3235474      15.16832 
1 1 1 -11 -20 59 o 63.798  5.5781  514.218    85.481   455.001    164.802  536.013    99.982   55.827  12.480  64.721  6.4527  -8.894230      14.04920 
1 1 1 -11 -20 60 o 41.443  7.5116  227.150    72.753   275.552    143.312  210.345    84.443   43.077  12.786  39.183  9.0624  3.893764       15.67184 
1 1 1 -11 -20 61 o 32.295  9.5385  143.082    79.915   150.083    159.667  140.743    92.310   34.569  13.375  32.117  10.387  2.451935       16.93465 
1 1 1 -11 -20 62 o 56.808  14.792  503.179    205.894  503.179    205.894  0.0000     0.0000   56.808  14.792  ?       ?       0.000000       14.79181 
1 1 1 -11 -20 63 o 47.516  13.324  341.139    159.832  341.139    159.832  0.0000     0.0000   47.516  13.324  ?       ?       0.000000       13.32442 
1 1 1 -11 -20 64 o 53.997  6.0750  373.323    78.212   435.701    168.120  356.095    88.355   53.845  13.013  52.203  7.1644  1.641987       14.85463 
1 1 1 -11 -20 65 o 28.592  10.607  101.422    97.920   0.0000     0.0000   101.422    97.920   ?       ?       28.592  10.607  0.000000       10.60676 
1 1 1 -11 -19 1  o 233.689 7.6481  6667.98    433.664  6667.98    433.664  0.0000     0.0000   233.689 7.6481  ?       ?       0.000000       7.648068 
1 1 1 -11 -19 2  o 115.006 5.3583  1609.67    149.524  1609.67    149.524  0.0000     0.0000   115.006 5.3583  ?       ?       0.000000       5.358275 
1 1 1 -11 -19 3  o 361.421 10.621  16042.62   931.391  15267.92   1309.58  16835.57   1324.93  350.241 15.410  368.125 14.833  -17.88312      21.38895 
1 1 1 -11 -19 4  o 248.348 7.8703  7533.30    474.260  7472.31    663.945  7596.83    677.676  246.523 11.100  248.527 11.238  -2.004181      15.79534 
1 1 1 -11 -19 5  o 279.404 8.6913  9549.57    589.224  10584.76   827.508  8484.93    839.194  293.207 11.631  261.629 13.263  31.57822       17.64061 
1 1 1 -11 -19 6  o 271.996 8.4574  9046.49    558.170  9224.92    783.555  8862.65    795.320  273.652 11.801  268.075 12.227  5.576477       16.99284 
1 1 1 -11 -19 7  o 118.933 5.2878  1721.44    152.595  1754.49    211.989  1685.91    219.830  119.677 7.3356  117.236 7.7719  2.440620       10.68713 
1 1 1 -11 -19 8  o 138.594 5.2996  2337.64    178.217  2499.93    261.458  2196.80    243.565  142.897 7.5677  133.935 7.5252  8.962082       10.67238 
1 1 1 -11 -19 9  f 238.727 5.2849  6935.44    306.128  7372.04    440.703  6528.33    425.556  245.766 7.3902  231.239 7.5846  14.52760       10.58970 
1 1 1 -11 -19 10 o 221.441 4.9349  5964.90    265.154  6873.91    382.738  5125.99    367.683  237.462 6.6427  204.942 7.3940  32.51915       9.939625 
1 1 1 -11 -19 11 o 241.348 5.2955  7088.08    310.110  7719.12    446.164  6498.29    431.335  251.520 7.3107  230.702 7.7055  20.81848       10.62170 
1 1 1 -11 -19 12 o 216.673 4.9455  5710.44    260.004  5793.48    375.099  5633.64    360.725  217.945 7.0931  214.945 6.9165  2.999573       9.907057 
1 1 1 -11 -19 13 o 224.350 7.1401  6139.14    388.681  0.0000     0.0000   6139.14    388.681  ?       ?       224.350 7.1401  0.000000       7.140071 
1 1 1 -11 -19 14 o 132.866 5.0980  2147.51    164.354  0.0000     0.0000   2147.51    164.354  ?       ?       132.866 5.0980  0.000000       5.098037 
1 1 1 -11 -19 15 o 142.256 4.4149  2460.11    152.390  3102.48    281.439  2193.65    181.261  159.476 7.2732  134.251 5.5645  25.22475       9.157656 
1 1 1 -11 -19 16 o 146.966 3.9127  2624.58    139.526  3109.29    205.881  2212.87    189.745  159.855 5.3079  134.819 5.8004  25.03625       7.862482 
1 1 1 -11 -19 17 o 201.177 4.7397  4921.71    231.363  4707.89    334.396  5118.06    320.443  196.484 7.0141  204.947 6.4439  -8.462708      9.524736 
1 1 1 -11 -19 18 o 217.339 4.9898  5745.85    263.137  5614.45    379.623  5867.37    365.068  214.519 7.2933  219.369 6.8586  -4.849716      10.01161 
1 1 1 -11 -19 19 o 253.606 5.5601  7828.75    342.143  7942.43    491.886  7722.21    476.221  255.001 7.9498  251.471 7.8047  3.529480       11.14061 
1 1 1 -11 -19 20 o 227.623 5.1424  6303.93    284.016  6403.89    409.729  6211.47    394.049  229.074 7.3715  225.637 7.1974  3.436890       10.30250 
1 1 1 -11 -19 21 o 237.232 5.3065  6848.93    305.453  6839.42    440.164  6857.77    424.228  236.671 7.6649  237.045 7.3757  -0.3734283     10.63729 
1 1 1 -11 -19 22 o 132.350 3.7991  2128.50    122.002  2081.40    179.611  2168.85    166.237  130.750 5.6614  133.511 5.1316  -2.760544      7.640980 
1 1 1 -11 -19 23 o 121.570 3.6881  1795.72    108.792  1820.83    161.161  1774.69    147.461  122.310 5.4304  120.778 5.0318  1.531807       7.403309 
1 1 1 -11 -19 24 o 268.567 8.2424  8815.80    537.120  9370.40    766.031  8279.43    753.334  275.943 11.441  259.207 11.978  16.73648       16.56394 
1 1 1 -11 -19 25 o 276.070 8.4969  9318.99    569.175  9016.08    810.856  9613.22    799.142  270.374 12.360  279.390 11.788  -9.016144      17.08008 
1 1 1 -11 -19 26 f 249.062 7.8473  7575.88    474.234  7474.77    676.549  7673.54    664.939  246.517 11.311  249.875 10.967  -3.358292      15.75468 
1 1 1 -11 -19 27 o 333.515 6.8996  13564.20   558.346  14619.64   799.245  12558.10   780.337  345.444 9.5354  319.991 10.050  25.45355       13.85398 
1 1 1 -11 -19 28 o 104.672 3.5939  1331.07    91.276   1360.28    136.976  1307.74    122.415  105.589 5.3640  103.690 4.8655  1.898460       7.241988 
1 1 1 -11 -19 29 o 222.111 5.1521  6002.40    277.660  5758.49    402.384  6224.11    383.629  217.177 7.6359  225.900 6.9989  -8.723480      10.35819 
1 1 1 -11 -19 30 o 95.912  3.5831  1117.61    83.386   1188.74    126.964  1063.66    110.577  98.691  5.3217  93.384  4.8972  5.307068       7.232073 
1 1 1 -11 -19 31 o 120.225 3.7973  1756.40    110.774  1989.01    166.921  1573.34    148.082  127.835 5.3814  113.696 5.3678  14.13891       7.600836 
1 1 1 -11 -19 32 o 108.944 3.7716  1442.26    99.699   1304.15    150.851  1549.38    132.849  103.290 6.0454  112.857 4.8514  -9.566811      7.751276 
1 1 1 -11 -19 33 o 42.985  6.5111  230.296    65.783   248.338    114.831  221.483    80.258   44.078  10.817  41.853  8.1964  2.225319       13.57196 
1 1 1 -11 -19 34 o 82.063  5.2561  823.084    104.107  971.817    171.465  736.240    131.022  88.795  8.0458  77.350  7.0588  11.44448       10.70328 
1 1 1 -11 -19 35 o 191.596 6.7626  4479.69    314.388  4393.52    472.453  4548.18    421.176  188.733 10.356  192.620 9.0115  -3.886536      13.72818 
1 1 1 -11 -19 36 o 357.430 7.4915  15618.39   649.712  15635.07   932.431  15602.65   905.810  356.166 10.789  355.950 10.488  0.2156677      15.04682 
1 1 1 -11 -19 37 f 129.680 3.9780  2045.02    125.172  2174.56    190.428  1946.48    166.095  133.539 5.8770  126.391 5.4160  7.148453       7.992011 
1 1 1 -11 -19 38 o 87.804  3.7532  937.469    79.961   892.617    125.412  968.191    103.793  85.303  6.0994  89.035  4.8224  -3.732101      7.775494 
1 1 1 -11 -19 39 o 131.215 4.0290  2095.08    128.276  2174.06    195.101  2034.94    170.247  133.420 6.0266  129.161 5.4323  4.258850       8.113585 
1 1 1 -11 -19 40 o 84.085  3.7736  860.357    76.990   864.619    122.170  857.549    99.157   83.883  6.0429  83.720  4.9027  0.1637192      7.781552 
1 1 1 -11 -19 41 o 24.705  6.5617  77.458     39.998   77.282     68.300   77.549     49.344   26.078  8.9473  24.997  7.5215  1.081951       11.68880 
1 1 1 -11 -19 42 o 114.235 3.9482  1590.08    109.436  1533.15    169.372  1630.89    143.386  111.630 6.2786  115.521 5.1154  -3.890541      8.098664 
1 1 1 -11 -19 43 o 136.577 4.1600  2275.53    137.857  2329.17    211.248  2235.74    181.938  137.683 6.3234  135.089 5.5506  2.594131       8.413954 
1 1 1 -11 -19 44 o 169.079 4.5220  3493.90    185.518  3726.05    279.452  3310.96    248.067  173.877 6.6237  164.053 6.2319  9.823898       9.094540 
1 1 1 -11 -19 45 o 38.844  4.9603  187.775    45.684   193.609    79.469   184.896    55.831   38.638  8.6876  38.271  6.2263  0.3664665      10.68837 
1 1 1 -11 -19 46 o 82.161  5.6119  834.140    111.206  855.127    171.917  819.039    145.824  82.145  8.7604  80.829  7.5216  1.316017       11.54634 
1 1 1 -11 -19 47 o 15.242  6.7086  -11.9505   48.111   61.139     84.465   -47.0526   58.535   25.618  9.7748  14.834  6.8677  10.78393       11.94620 
1 1 1 -11 -19 48 o 62.586  4.1265  481.413    62.312   552.755    106.673  444.460    76.772   66.417  6.7114  59.860  5.3418  6.556446       8.577752 
1 1 1 -11 -19 49 f 76.421  4.1890  717.347    77.381   772.020    135.297  690.769    94.333   78.379  7.1944  74.730  5.2355  3.649818       8.897767 
1 1 1 -11 -19 50 o 86.042  4.1575  906.900    86.796   874.559    148.275  923.758    107.055  83.327  7.4110  86.477  5.1249  -3.150284      9.010390 
1 1 1 -11 -19 51 o 27.183  7.7521  95.278     53.631   193.086    92.931   46.437     65.670   38.092  9.9468  22.511  8.6118  15.58194       13.15679 
1 1 1 -11 -19 52 o 71.961  5.9851  646.604    103.556  592.141    189.405  669.826    123.678  65.979  12.283  72.842  7.0873  -6.863571      14.18107 
1 1 1 -11 -19 53 o 76.774  5.9747  736.674    110.423  716.281    201.869  745.381    131.906  72.742  11.845  76.743  7.1667  -4.001015      13.84418 
1 1 1 -11 -19 54 o 71.474  4.5490  631.825    78.480   682.944    137.937  607.357    95.432   72.961  7.9186  69.695  5.6929  3.266174       9.752654 
1 1 1 -11 -19 55 o 44.530  6.1089  252.072    64.265   357.558    114.353  203.377    77.696   51.772  9.4513  39.150  8.4284  12.62179       12.66354 
1 1 1 -11 -19 56 f 31.689  7.5523  132.791    57.247   90.320     102.375  152.113    69.052   28.616  10.799  33.716  8.4557  -5.100363      13.71554 
1 1 1 -11 -19 57 f 36.542  7.1654  175.135    61.262   168.339    110.236  178.171    73.689   35.066  11.352  36.412  8.4959  -1.345047      14.17900 
1 1 1 -11 -19 58 o 38.278  7.6979  194.363    69.019   270.703    142.507  170.969    78.889   43.011  12.746  35.387  9.1278  7.623951       15.67748 
1 1 1 -11 -19 59 o 76.698  5.3055  738.636    98.128   752.464    181.783  732.949    116.572  74.062  10.402  75.828  6.3955  -1.766182      12.21120 
1 1 1 -11 -19 60 o 25.992  8.4007  87.581     60.389   134.900    129.353  74.394     68.287   32.648  12.175  24.946  8.9160  7.702000       15.09073 
1 1 1 -11 -19 61 o 62.239  7.7934  507.379    115.114  378.105    195.344  576.153    142.481  49.034  15.011  65.458  9.2267  -16.42481      17.62025 
1 1 1 -11 -19 62 o 26.170  11.807  -30.0201   158.949  -30.0201   158.949  0.0000     0.0000   26.170  11.807  ?       ?       0.000000       11.80717 
1 1 1 -11 -19 63 o 46.923  7.0845  287.211    78.149   309.589    168.731  281.100    88.177   45.017  13.980  45.881  8.2226  -0.8637505     16.21858 
1 1 1 -11 -19 64 o 92.320  5.3631  1072.47    119.620  1137.66    264.479  1055.70    134.122  88.364  12.700  91.117  6.1017  -2.752243      14.09005 
1 1 1 -11 -19 65 o 59.620  8.6850  480.042    121.948  445.267    354.227  484.718    129.888  48.086  19.493  59.487  9.3036  -11.40134      21.59972 
1 1 1 -11 -18 1  o 92.787  5.2001  1050.79    116.603  1050.79    116.603  0.0000     0.0000   92.787  5.2001  ?       ?       0.000000       5.200060 
1 1 1 -11 -18 2  o 200.786 5.6026  4907.44    272.954  4760.79    334.214  5201.17    473.009  197.582 6.9713  206.071 9.4599  -8.488846      11.75113 
1 1 1 -11 -18 3  o 315.830 6.6892  12159.68   512.620  11861.53   728.169  12452.62   721.781  311.133 9.6454  318.893 9.3282  -7.760071      13.41824 
1 1 1 -11 -18 4  o 306.689 6.4926  11463.24   483.147  12085.38   686.842  10853.86   679.760  314.241 9.0080  297.682 9.4111  16.55957       13.02739 
1 1 1 -11 -18 5  o 72.653  4.8468  644.866    84.952   744.037    117.752  537.217    122.681  77.895  6.2836  65.869  7.8293  12.02536       10.03894 
1 1 1 -11 -18 6  o 237.406 7.3857  6878.21    425.449  7350.48    611.499  6435.12    592.310  244.743 10.297  228.903 10.664  15.83965       14.82435 
1 1 1 -11 -18 7  o 151.913 5.5116  2808.84    203.161  3206.32    297.319  2460.71    278.253  162.075 7.5603  141.691 8.1274  20.38451       11.10017 
1 1 1 -11 -18 8  o 39.277  4.7141  190.270    44.029   144.641    71.311   218.380    55.971   33.761  8.6624  41.985  5.6365  -8.224724      10.33481 
1 1 1 -11 -18 9  o 196.905 6.4608  4723.72    308.677  5149.67    447.638  4337.56    426.219  205.186 8.9912  188.254 9.3309  16.93173       12.95791 
1 1 1 -11 -18 10 o 206.482 4.7585  5184.06    238.405  5480.38    344.555  4911.89    330.213  212.069 6.6960  200.757 6.7789  11.31134       9.528396 
1 1 1 -11 -18 11 f 186.064 4.3995  4207.94    198.623  4808.93    288.299  3664.95    274.035  198.751 5.9782  173.452 6.5112  25.29878       8.839391 
1 1 1 -11 -18 12 o 269.639 8.1569  8876.25    533.670  0.0000     0.0000   8876.25    533.670  ?       ?       269.639 8.1569  0.000000       8.156930 
1 1 1 -11 -18 13 o 181.119 6.0818  3993.56    267.277  0.0000     0.0000   3993.56    267.277  ?       ?       181.119 6.0818  0.000000       6.081834 
1 1 1 -11 -18 14 o 209.711 6.6991  5357.77    340.880  0.0000     0.0000   5357.77    340.880  ?       ?       209.711 6.6991  0.000000       6.699082 
1 1 1 -11 -18 15 o 222.225 4.9966  6005.17    269.419  6558.15    389.283  5496.79    373.253  231.986 6.9158  212.340 7.2445  19.64575       10.01551 
1 1 1 -11 -18 16 o 188.339 4.5000  4311.58    205.646  4451.32    297.960  4184.46    284.185  191.180 6.4232  185.372 6.3182  5.807907       9.009831 
1 1 1 -11 -18 17 o 274.863 5.9146  9196.10    394.465  9327.77    565.596  9071.40    550.430  276.352 8.4349  272.552 8.3232  3.800201       11.85002 
1 1 1 -11 -18 18 o 190.295 4.5364  4402.02    209.459  4625.99    303.574  4198.52    289.376  194.882 6.4199  185.660 6.4236  9.222839       9.081748 
1 1 1 -11 -18 19 o 207.040 4.8045  5212.33    241.360  5375.11    348.931  5062.99    334.214  210.001 6.8479  203.825 6.7578  6.176071       9.620839 
1 1 1 -11 -18 20 o 196.883 4.6868  4713.24    223.900  4614.76    324.318  4802.92    309.488  194.568 6.8697  198.554 6.4239  -3.986420      9.405282 
1 1 1 -11 -18 21 o 41.812  3.8073  214.165    38.203   113.186    59.963   283.159    49.564   29.942  8.0704  48.075  4.2942  -18.13247      9.141786 
1 1 1 -11 -18 22 o 151.722 4.0470  2797.60    148.986  2839.10    218.074  2761.28    204.022  152.695 5.8859  150.616 5.5827  2.079620       8.112358 
1 1 1 -11 -18 23 o 233.064 5.2916  6609.87    299.242  6442.96    431.323  6764.77    415.505  229.709 7.7386  235.464 7.2726  -5.755157      10.61958 
1 1 1 -11 -18 24 o 66.120  4.9299  534.729    78.525   502.116    116.299  562.054    106.454  63.678  7.6822  67.592  6.5741  -3.913921      10.11116 
1 1 1 -11 -18 25 o 319.589 9.5613  12512.83   741.430  12417.11   1053.94  12606.62   1043.22  316.741 13.714  319.262 13.467  -2.520416      19.22017 
1 1 1 -11 -18 26 o 307.788 9.2263  11597.13   689.038  12361.51   980.394  10851.02   968.606  316.474 12.767  296.221 13.476  20.25299       18.56373 
1 1 1 -11 -18 27 o 194.809 6.6411  4625.66    313.914  4785.96    449.851  4473.51    438.259  197.700 9.3777  191.124 9.4504  6.576080       13.31363 
1 1 1 -11 -18 28 o 92.820  3.5826  1046.66    80.688   902.273    121.879  1159.32    107.659  85.882  5.8842  97.648  4.5439  -11.76550      7.434427 
1 1 1 -11 -18 29 o 235.706 5.3466  6760.65    305.780  6734.56    442.195  6784.56    423.299  234.859 7.7597  235.797 7.3985  -0.9381714     10.72149 
1 1 1 -11 -18 30 o 117.969 3.7847  1690.97    108.334  1531.73    162.708  1817.77    145.199  111.988 6.0098  122.250 4.8950  -10.26169      7.751062 
1 1 1 -11 -18 31 o 127.647 3.9447  1980.09    122.175  1757.21    182.558  2160.89    164.425  119.929 6.2955  133.273 5.0847  -13.34371      8.092430 
1 1 1 -11 -18 32 o 219.077 5.1853  5840.07    275.633  5468.67    401.048  6172.56    379.456  211.599 7.8112  224.962 6.9517  -13.36273      10.45661 
1 1 1 -11 -18 33 o 69.169  5.3855  585.839    89.673   643.013    149.538  553.735    112.055  71.975  8.7420  67.015  6.9943  4.960098       11.19569 
1 1 1 -11 -18 34 o 182.464 6.5169  4059.35    288.523  4140.92    434.882  3995.23    385.613  183.460 9.8049  180.648 8.7974  2.811783       13.17307 
1 1 1 -11 -18 35 o 188.793 6.6998  4348.20    306.912  4313.62    462.141  4375.48    410.509  187.090 10.219  188.975 8.9527  -1.885513      13.58595 
1 1 1 -11 -18 36 f 68.575  3.5871  573.034    59.478   622.382    84.957   525.593    83.298   71.341  4.9383  65.489  5.2872  5.852425       7.234675 
1 1 1 -11 -18 37 o 148.247 4.0673  2672.57    146.305  2570.77    210.270  2768.10    203.700  145.200 5.9682  150.719 5.5701  -5.518661      8.163661 
1 1 1 -11 -18 38 o 53.642  3.7361  351.548    48.325   347.440    67.703   355.816    68.999   53.134  5.3229  53.772  5.3598  -0.6372833     7.553896 
1 1 1 -11 -18 39 o 135.959 3.8838  2248.58    128.124  2098.09    183.883  2390.59    178.622  131.119 5.7798  140.032 5.2571  -8.912964      7.812966 
1 1 1 -11 -18 40 o 167.122 4.2656  3401.04    172.973  3290.99    247.998  3505.29    241.378  164.053 6.2302  169.384 5.8730  -5.331329      8.561962 
1 1 1 -11 -18 41 o 209.121 4.9460  5336.06    250.969  5309.81    359.547  5361.01    350.474  207.968 7.1252  209.042 6.9097  -1.073746      9.925326 
1 1 1 -11 -18 42 o 43.269  4.0505  230.121    42.031   181.751    58.017   283.551    60.976   37.967  6.5333  47.870  5.3407  -9.902973      8.438424 
1 1 1 -11 -18 43 o 178.880 4.5773  3907.26    198.673  3784.12    285.209  4023.32    276.907  175.393 6.7017  180.994 6.3053  -5.601257      9.201645 
1 1 1 -11 -18 44 o 122.373 3.7943  1826.01    112.662  1739.61    162.349  1906.26    156.470  119.086 5.6186  124.765 5.1686  -5.678970      7.634320 
1 1 1 -11 -18 45 o 115.539 3.7888  1628.71    106.216  1566.59    152.699  1686.93    147.842  112.945 5.5719  117.296 5.1946  -4.350578      7.617770 
1 1 1 -11 -18 46 o 38.730  5.2639  187.430    48.186   230.533    59.504   105.316    82.128   42.890  5.8719  29.473  9.8120  13.41768       11.43478 
1 1 1 -11 -18 47 o 36.811  5.5668  170.379    48.169   141.371    60.123   222.374    80.493   33.046  7.6493  41.463  8.2905  -8.416862      11.28025 
1 1 1 -11 -18 48 o 135.021 4.4199  2233.64    144.801  2359.69    237.131  2158.69    182.851  137.533 7.1303  132.309 5.6957  5.224319       9.125914 
1 1 1 -11 -18 49 o 37.583  4.8210  176.198    42.949   233.367    60.142   116.700    61.355   43.083  5.9088  29.992  8.1971  13.09056       10.10477 
1 1 1 -11 -18 50 o 71.345  3.7518  624.010    64.720   710.671    91.337   536.623    91.719   75.859  4.9901  65.653  5.8179  10.20596       7.664737 
1 1 1 -11 -18 51 o 46.762  4.7342  271.389    52.975   302.750    67.484   221.032    85.514   49.164  5.7666  41.038  8.8484  8.126190       10.56165 
1 1 1 -11 -18 52 f 87.858  6.0080  961.711    127.310  792.312    229.205  1037.29    153.098  76.246  12.846  90.842  6.9996  -14.59689      14.62912 
1 1 1 -11 -18 53 o 33.545  9.5476  149.056    81.434   215.622    137.223  112.869    101.176  39.888  12.640  30.699  10.865  9.188814       16.66784 
1 1 1 -11 -18 54 o 82.103  4.6189  833.258    91.642   838.207    154.097  830.550    113.990  80.908  7.9521  81.537  5.7995  -0.6288300     9.842268 
1 1 1 -11 -18 55 o 16.502  7.0496  1.8534     49.996   -47.9486   99.263   18.782     57.873   20.214  9.2033  19.023  7.8151  1.190609       12.07375 
1 1 1 -11 -18 56 o 18.249  7.4267  19.698     51.649   -96.6666   94.128   69.826     61.780   17.586  8.3212  24.274  8.4991  -6.687639      11.89445 
1 1 1 -11 -18 57 o 44.024  6.2238  248.042    64.630   238.428    115.530  252.422    77.973   41.169  11.247  43.890  7.5967  -2.721352      13.57201 
1 1 1 -11 -18 58 o 41.975  7.3969  231.234    72.583   291.503    145.206  211.158    83.804   44.615  12.767  39.444  8.9603  5.170849       15.59745 
1 1 1 -11 -18 59 o 104.706 4.8030  1362.84    122.025  1357.19    213.718  1365.57    148.633  101.397 8.7731  104.020 5.9133  -2.623047      10.57992 
1 1 1 -11 -18 60 o 79.176  5.1277  785.138    97.982   885.664    185.853  746.443    115.308  81.070  9.6369  76.610  6.2578  4.460114       11.49040 
1 1 1 -11 -18 61 o 43.552  14.375  287.505    176.415  287.505    176.415  0.0000     0.0000   43.552  14.375  ?       ?       0.000000       14.37497 
1 1 1 -11 -18 62 o 15.639  7.1009  -28.5648   58.582   -143.8332  150.393  -7.9463    63.606   21.855  10.392  17.656  7.7439  4.198368       12.96037 
1 1 1 -11 -18 63 o 53.078  6.1462  360.108    77.692   259.752    166.448  388.062    87.849   41.661  13.970  54.850  6.7427  -13.18985      15.51183 
1 1 1 -11 -18 64 o 29.510  10.917  107.411    103.599  323.860    352.901  86.999     108.374  45.033  18.961  28.253  10.995  16.78046       21.91794 
1 1 1 -11 -17 1  o 144.805 5.8177  2552.95    204.408  2552.95    204.408  0.0000     0.0000   144.805 5.8177  ?       ?       0.000000       5.817684 
1 1 1 -11 -17 2  o 51.937  3.5612  329.233    44.607   324.702    64.592   333.366    61.677   51.393  5.2536  52.121  4.9358  -0.7276649     7.208490 
1 1 1 -11 -17 3  o 178.274 4.4443  3863.90    192.246  4049.29    275.477  3687.89    268.416  182.316 6.2273  173.974 6.3586  8.341354       8.899993 
1 1 1 -11 -17 4  o 37.727  3.4860  174.376    31.550   216.422    53.876   152.431    38.923   41.823  5.4377  35.097  4.6878  6.725967       7.179420 
1 1 1 -11 -17 5  o 111.501 3.5123  1510.25    95.024   1618.34    142.234  1423.11    127.705  115.342 5.0822  108.173 4.8655  7.168709       7.035723 
1 1 1 -11 -17 6  o 347.744 10.134  14822.01   855.082  15363.91   1220.56  14299.72   1198.28  352.277 14.279  339.734 14.536  12.54288       20.37671 
1 1 1 -11 -17 7  o 203.721 6.5452  5055.89    323.536  5889.86    468.739  4297.05    447.124  219.516 8.8004  187.064 9.8860  32.45210       13.23550 
1 1 1 -11 -17 8  o 297.910 8.8157  10844.92   637.246  11714.24   913.061  10019.33   889.794  308.613 12.193  285.198 12.858  23.41556       17.72029 
1 1 1 -11 -17 9  o 127.589 5.1041  1979.57    158.014  2293.66    234.643  1718.93    213.747  137.011 7.0823  118.504 7.4719  18.50636       10.29508 
1 1 1 -11 -17 10 o 249.716 7.7785  7604.90    471.308  7545.72    679.056  7659.91    654.673  248.031 11.283  250.017 10.792  -1.985825      15.61325 
1 1 1 -11 -17 11 o 148.800 5.4017  2692.80    195.028  0.0000     0.0000   2692.80    195.028  ?       ?       148.800 5.4017  0.000000       5.401692 
1 1 1 -11 -17 12 o 44.085  4.3731  238.471    46.161   0.0000     0.0000   238.471    46.161   ?       ?       44.085  4.3731  0.000000       4.373089 
1 1 1 -11 -17 13 o 88.512  4.4117  951.976    94.749   0.0000     0.0000   951.976    94.749   ?       ?       88.512  4.4117  0.000000       4.411731 
1 1 1 -11 -17 14 o 272.873 5.8379  9058.38    386.530  9611.64    554.331  8534.80    539.254  280.719 8.1383  264.481 8.4030  16.23880       11.69797 
1 1 1 -11 -17 15 o 103.474 3.4208  1300.20    85.887   1489.33    127.270  1142.04    116.384  110.696 4.7384  96.799  4.9720  13.89738       6.868229 
1 1 1 -11 -17 16 o 43.284  3.5685  229.075    37.143   222.374    57.873   233.768    48.436   42.366  5.7806  43.611  4.6489  -1.244991      7.418081 
1 1 1 -11 -17 17 o 160.052 4.1032  3112.21    159.349  3260.72    232.294  2980.21    219.001  163.707 5.8480  156.513 5.7668  7.193634       8.213075 
1 1 1 -11 -17 18 o 238.288 5.3780  6905.95    310.947  6399.13    447.242  7380.16    432.612  229.024 8.0482  246.083 7.2452  -17.05966      10.82898 
1 1 1 -11 -17 19 o 135.409 3.7959  2227.35    124.716  2375.16    183.219  2099.73    170.246  139.738 5.4037  131.390 5.3401  8.347931       7.597163 
1 1 1 -11 -17 20 f 298.011 6.3888  10815.34   461.972  10319.06   661.182  11288.71   645.746  290.460 9.3815  303.960 8.7555  -13.49930      12.83241 
1 1 1 -11 -17 21 o 208.176 4.8556  5269.65    245.268  5396.73    354.465  5152.91    339.727  210.421 6.9426  205.631 6.8089  4.790268       9.724210 
1 1 1 -11 -17 22 o 340.056 7.1334  14100.79   588.586  13665.35   840.633  14519.57   824.378  333.820 10.378  344.271 9.8687  -10.45157      14.32143 
1 1 1 -11 -17 23 o 100.066 3.5349  1216.38    85.827   1089.11    128.189  1319.78    115.549  94.428  5.6202  104.188 4.5707  -9.759399      7.244224 
1 1 1 -11 -17 24 o 36.779  5.2112  167.835    45.205   189.460    56.949   130.999    74.327   38.958  6.2348  32.289  9.0976  6.668781       11.02903 
1 1 1 -11 -17 25 o 180.328 6.3172  3961.83    276.407  4277.20    396.333  3663.18    385.682  187.009 8.7344  172.745 9.2350  14.26379       12.71119 
1 1 1 -11 -17 26 o 47.017  5.8653  273.296    65.457   363.966    98.668   202.022    87.480   54.065  7.7424  39.843  9.2300  14.22182       12.04730 
1 1 1 -11 -17 27 o 137.260 5.5931  2293.14    186.278  2389.93    268.931  2203.88    258.267  139.671 7.9684  134.105 7.9730  5.565674       11.27227 
1 1 1 -11 -17 28 o 175.702 4.4489  3752.98    189.666  3700.51    277.473  3798.99    259.851  174.260 6.5623  176.621 6.0634  -2.360672      8.934724 
1 1 1 -11 -17 29 o 40.905  4.1414  205.429    40.537   202.646    63.840   207.309    52.474   40.231  6.7811  40.922  5.4180  -0.6908150     8.679721 
1 1 1 -11 -17 30 o 136.054 3.8779  2249.25    128.020  2175.31    183.481  2319.40    178.709  133.681 5.6566  138.063 5.3346  -4.381866      7.775308 
1 1 1 -11 -17 31 o 360.342 7.5161  15846.94   657.158  15771.80   933.649  15920.72   925.133  358.384 10.737  360.131 10.587  -1.747803      15.07863 
1 1 1 -11 -17 32 o 133.226 3.7821  2156.64    122.259  2309.22    175.639  2013.21    170.286  137.760 5.2546  128.613 5.4567  9.146866       7.575351 
1 1 1 -11 -17 33 o 241.231 7.7485  7106.68    453.541  7287.75    668.232  6952.02    617.567  243.379 11.316  237.883 10.699  5.496368       15.57307 
1 1 1 -11 -17 34 o 195.592 6.8311  4665.98    324.194  4613.36    485.564  4708.30    435.473  193.549 10.377  196.064 9.1538  -2.514755      13.83749 
1 1 1 -11 -17 35 o 198.196 6.9191  4792.97    332.741  4673.81    498.511  4888.72    446.850  194.697 10.592  199.725 9.2207  -5.028168      14.04344 
1 1 1 -11 -17 36 o 190.700 5.3115  4427.83    245.770  4407.41    305.383  4465.37    414.064  190.072 6.6216  190.882 8.9400  -0.8104248     11.12519 
1 1 1 -11 -17 37 o 88.874  3.5502  959.913    76.559   952.678    109.586  966.810    107.001  88.307  5.1366  88.981  4.9759  -0.6738510     7.151550 
1 1 1 -11 -17 38 o 104.380 3.6479  1324.47    92.390   1250.04    132.462  1394.98    128.927  101.139 5.4174  107.031 4.9644  -5.891510      7.348046 
1 1 1 -11 -17 39 o 85.065  3.5289  879.752    72.837   940.114    104.563  822.853    101.519  87.709  4.9333  82.014  5.1272  5.695351       7.115211 
1 1 1 -11 -17 40 o 185.167 4.5734  4176.86    205.477  4197.99    294.399  4156.78    286.923  185.234 6.5501  184.355 6.4143  0.8795471      9.167724 
1 1 1 -11 -17 41 o 95.320  3.6008  1105.56    83.280   1109.67    119.441  1101.68    116.179  95.206  5.1900  94.883  5.0647  0.3237457      7.251657 
1 1 1 -11 -17 42 o 57.574  3.6827  405.213    51.177   401.882    72.476   408.526    72.275   57.105  5.2907  57.590  5.2293  -0.4840050     7.438878 
1 1 1 -11 -17 43 o 194.822 4.7970  4636.93    226.761  4558.85    325.172  4710.85    316.386  192.438 6.9640  195.740 6.6615  -3.302414      9.637058 
1 1 1 -11 -17 44 o 141.733 4.0650  2451.00    139.795  2427.88    201.118  2472.62    194.451  140.624 5.8942  141.984 5.6442  -1.359650      8.160839 
1 1 1 -11 -17 45 f 30.148  4.9888  114.198    35.217   137.734    49.125   89.313     50.513   32.896  6.3848  26.494  7.5122  6.401731       9.858934 
1 1 1 -11 -17 46 o 65.869  4.7345  534.088    75.164   577.350    96.473   467.259    119.904  68.239  5.8841  60.638  8.3727  7.600723       10.23351 
1 1 1 -11 -17 47 o 53.280  4.9301  351.173    63.014   357.043    78.766   340.735    105.028  53.436  6.1895  51.453  8.7243  1.983685       10.69691 
1 1 1 -11 -17 48 f 76.854  3.8804  723.761    72.127   714.693    113.007  729.994    93.692   75.792  6.1992  76.924  5.0477  -1.131905      7.994322 
1 1 1 -11 -17 49 o 41.909  4.3879  217.494    43.958   297.815    60.484   127.568    63.998   48.944  5.1713  31.311  8.2923  17.63343       9.772680 
1 1 1 -11 -17 50 o 64.866  3.9049  516.510    61.173   509.957    85.580   523.356    87.475   64.068  5.5603  64.897  5.6103  -0.8287735     7.898870 
1 1 1 -11 -17 51 o 14.915  6.1953  7.3520     36.917   6.8071     45.890   8.3516     62.149   16.371  6.8622  18.895  7.9563  -2.524035      10.50680 
1 1 1 -11 -17 52 o 136.077 6.6080  2306.98    218.181  1812.14    355.116  2607.04    276.529  115.976 12.835  143.611 7.9670  -27.63482      15.10625 
1 1 1 -11 -17 53 o 52.504  8.2176  356.683    101.256  415.216    173.060  326.215    124.859  54.425  13.233  49.156  10.766  5.269478       17.05958 
1 1 1 -11 -17 54 o 42.235  4.9898  223.247    50.147   224.428    64.992   221.508    78.830   41.880  6.6154  41.084  8.1952  0.7966690      10.53207 
1 1 1 -11 -17 55 o 54.718  4.4892  371.476    59.077   289.947    78.717   476.621    89.393   47.497  7.0438  61.501  6.0696  -14.00494      9.298086 
1 1 1 -11 -17 56 o 46.823  4.6624  273.558    52.266   291.941    67.864   246.758    81.940   47.983  5.9571  43.275  8.1012  4.707306       10.05572 
1 1 1 -11 -17 57 o 17.924  6.7493  31.246     39.939   13.179     50.048   62.928     66.273   17.411  7.2212  23.825  8.7459  -6.414261      11.34181 
1 1 1 -11 -17 58 o 44.514  7.2578  258.603    75.688   342.301    171.171  238.262    84.386   47.722  13.922  42.151  8.5435  5.571930       16.33408 
1 1 1 -11 -17 59 o 68.377  5.2538  586.772    86.499   551.695    172.177  598.614    100.040  62.360  11.811  68.692  6.0644  -6.332005      13.27723 
1 1 1 -11 -17 60 o 67.365  11.323  635.352    178.510  635.352    178.510  0.0000     0.0000   67.365  11.323  ?       ?       0.000000       11.32276 
1 1 1 -11 -17 61 o 51.088  14.538  401.541    188.821  401.541    188.821  0.0000     0.0000   51.088  14.538  ?       ?       0.000000       14.53759 
1 1 1 -11 -17 62 o 30.088  8.7863  121.789    68.150   47.606     145.122  142.777    77.191   28.534  12.094  32.376  9.3213  -3.842173      15.26944 
1 1 1 -11 -17 63 o 48.376  7.0214  304.283    80.009   269.364    171.812  313.952    90.410   42.311  14.193  48.730  7.9182  -6.419308      16.25238 
1 1 1 -11 -17 64 o 38.568  10.541  211.072    101.456  9.3384     352.584  229.284    105.937  36.677  16.936  40.123  10.689  -3.446327      20.02751 
1 1 1 -11 -16 1  o 46.414  3.6070  263.287    40.302   246.948    58.342   278.200    55.739   44.713  5.4931  47.577  4.8984  -2.863602      7.359930 
1 1 1 -11 -16 2  o 125.316 3.6434  1907.88    110.786  2137.52    164.607  1717.72    149.788  132.555 5.1179  118.823 5.1954  13.73222       7.292744 
1 1 1 -11 -16 3  o 140.818 3.9275  2409.51    134.194  2130.93    198.341  2644.70    182.237  132.274 6.1798  147.451 5.0936  -15.17700      8.008411 
1 1 1 -11 -16 4  o 130.885 3.6908  2081.09    117.211  2393.09    174.015  1821.98    158.580  140.268 5.1129  122.377 5.3406  17.89060       7.393456 
1 1 1 -11 -16 5  o 156.740 4.1008  2985.23    155.959  2837.62    228.480  3114.00    213.410  152.666 6.1680  159.986 5.4975  -7.320084      8.262380 
1 1 1 -11 -16 6  o 241.438 5.3672  7090.07    314.423  7164.64    452.526  7020.47    437.192  242.379 7.6946  239.958 7.5088  2.421082       10.75123 
1 1 1 -11 -16 7  o 97.306  4.6647  1150.82    110.136  1348.55    166.201  996.012    147.060  105.039 6.5538  90.183  6.7700  14.85598       9.422581 
1 1 1 -11 -16 8  o 116.925 4.9659  1661.90    140.888  1815.81    210.217  1536.40    189.829  121.885 7.1392  112.097 7.0145  9.788055       10.00858 
1 1 1 -11 -16 9  o 120.651 5.0771  1769.50    148.633  1800.74    221.599  1743.95    200.393  121.333 7.5647  119.475 6.9426  1.858284       10.26761 
1 1 1 -11 -16 10 o 166.006 8.1112  3359.56    326.720  0.0000     0.0000   3359.56    326.720  ?       ?       166.006 8.1112  0.000000       8.111236 
1 1 1 -11 -16 11 o 201.887 6.5656  4960.06    321.622  0.0000     0.0000   4960.06    321.622  ?       ?       201.887 6.5656  0.000000       6.565600 
1 1 1 -11 -16 12 o 102.771 4.6132  1283.27    115.037  0.0000     0.0000   1283.27    115.037  ?       ?       102.771 4.6132  0.000000       4.613223 
1 1 1 -11 -16 13 o 132.001 3.7371  2115.96    119.694  2170.40    176.376  2069.48    162.965  133.616 5.4402  130.486 5.1471  3.129440       7.489268 
1 1 1 -11 -16 14 o 128.016 3.6862  1990.08    114.499  1956.30    168.008  2019.38    156.460  126.854 5.4584  128.904 5.0024  -2.050354      7.403883 
1 1 1 -11 -16 15 o 110.235 3.5313  1475.54    94.454   1396.52    139.766  1541.96    128.146  107.045 5.3985  112.651 4.6882  -5.606583      7.150058 
1 1 1 -11 -16 16 o 198.902 4.7142  4807.33    227.514  4554.40    328.822  5039.61    315.123  193.413 7.0066  203.516 6.3814  -10.10291      9.477108 
1 1 1 -11 -16 17 o 153.095 4.0946  2847.03    152.103  2358.59    221.728  3281.17    209.043  139.210 6.5643  164.289 5.2440  -25.07851      8.401741 
1 1 1 -11 -16 18 o 123.552 3.6856  1853.89    110.490  1855.36    162.510  1852.63    150.673  123.526 5.4220  123.455 5.0299  0.7135010E-01  7.395816 
1 1 1 -11 -16 19 o 120.347 3.6629  1759.02    106.960  1719.00    157.535  1793.26    145.687  118.892 5.4609  121.459 4.9434  -2.566948      7.366011 
1 1 1 -11 -16 20 o 107.776 3.5865  1410.74    93.790   1280.66    138.864  1519.85    127.182  102.455 5.6072  111.823 4.6874  -9.368301      7.308335 
1 1 1 -11 -16 21 o 241.219 5.3949  7077.42    315.761  7043.15    454.325  7109.43    439.168  240.299 7.7920  241.475 7.4954  -1.176208      10.81186 
1 1 1 -11 -16 22 o 151.780 4.0984  2799.25    150.936  2568.72    220.561  3002.29    206.996  145.244 6.2584  157.095 5.4304  -11.85072      8.285987 
1 1 1 -11 -16 23 o 146.537 3.9986  2609.22    142.174  2744.10    208.591  2492.19    194.299  150.154 5.7252  143.106 5.5956  7.047836       8.005569 
1 1 1 -11 -16 24 o 133.420 3.9207  2162.99    126.925  1794.82    187.215  2476.15    172.665  121.213 6.3880  142.684 4.9873  -21.47025      8.104292 
1 1 1 -11 -16 25 o 126.194 4.2099  1935.56    128.908  1843.67    156.107  2132.53    228.552  123.101 5.2263  132.039 7.1605  -8.938286      8.864966 
1 1 1 -11 -16 26 o 48.474  4.8130  288.557    55.861   266.908    72.980   319.185    86.806   46.326  6.6860  50.646  7.2726  -4.319115      9.878921 
1 1 1 -11 -16 27 f 93.361  4.7001  1062.53    106.131  1169.90    142.466  928.634    159.091  97.833  6.0309  86.904  7.6217  10.92943       9.719172 
1 1 1 -11 -16 28 o 146.436 3.9801  2605.71    141.419  2653.71    202.126  2559.68    197.934  147.658 5.6416  145.020 5.6251  2.638229       7.966714 
1 1 1 -11 -16 29 o 101.538 3.4516  1252.31    85.037   1219.67    121.575  1283.59    118.988  100.139 5.0036  102.741 4.7731  -2.602356      6.915032 
1 1 1 -11 -16 30 o 313.811 6.6791  12001.63   508.573  12081.73   723.007  11923.18   715.514  314.135 9.4855  312.078 9.4491  2.057220       13.38884 
1 1 1 -11 -16 31 o 332.210 6.8987  13454.95   556.089  13355.67   790.311  13552.31   782.602  330.142 9.8658  332.620 9.6968  -2.477631      13.83339 
1 1 1 -11 -16 32 f 158.235 4.1716  3043.19    160.167  3154.07    228.702  2936.46    224.380  160.949 5.8562  155.288 5.9550  5.660965       8.352083 
1 1 1 -11 -16 33 o 131.504 5.6482  2105.23    180.225  2052.86    277.778  2143.29    236.841  129.231 8.9132  132.322 7.4064  -3.091187      11.58878 
1 1 1 -11 -16 34 o 85.504  5.4246  893.408    111.960  650.732    181.999  1041.16    142.010  72.019  10.744  92.212  6.3863  -20.19317      12.49843 
1 1 1 -11 -16 35 o 138.449 5.8041  2334.58    194.979  2331.70    302.435  2336.64    255.061  137.679 9.1046  138.105 7.6412  -0.4263611     11.88618 
1 1 1 -11 -16 36 o 137.200 5.8185  2293.28    193.700  2258.98    301.641  2317.35    252.683  135.438 9.2339  137.510 7.6027  -2.072357      11.96095 
1 1 1 -11 -16 37 o 60.434  3.6391  445.483    53.115   444.795    74.879   446.180    75.355   60.222  5.1746  60.314  5.1999  -0.9155655E-01 7.335886 
1 1 1 -11 -16 38 o 60.573  3.7223  447.724    54.443   446.374    76.756   449.091    77.235   60.303  5.2996  60.485  5.3166  -0.1823730     7.506760 
1 1 1 -11 -16 39 o 111.187 3.7324  1503.30    100.694  1559.19    144.505  1450.55    140.389  113.105 5.2654  109.090 5.3038  4.015274       7.473598 
1 1 1 -11 -16 40 o 40.317  4.1795  199.972    40.292   215.034    55.489   183.173    58.602   41.600  5.6430  38.172  6.5637  3.428410       8.655972 
1 1 1 -11 -16 41 o 148.764 4.0789  2694.88    147.231  2695.50    211.200  2694.29    205.356  148.488 5.8619  148.486 5.6998  0.2349854E-02  8.176120 
1 1 1 -11 -16 42 o 101.748 3.6407  1260.29    89.883   1244.48    128.775  1275.31    125.515  100.782 5.2845  102.189 5.0620  -1.407593      7.317777 
1 1 1 -11 -16 43 o 124.165 3.8286  1878.57    115.345  1850.90    165.832  1904.50    160.542  122.951 5.5587  124.770 5.3029  -1.818687      7.682436 
1 1 1 -11 -16 44 f 99.422  3.6279  1204.57    87.518   1170.09    125.815  1236.90    121.820  97.595  5.3332  100.547 4.9932  -2.951942      7.305867 
1 1 1 -11 -16 45 o 23.134  5.8131  68.312     32.591   122.038    44.101   3.6676     48.375   30.979  6.0841  16.575  7.0015  14.40451       9.275665 
1 1 1 -11 -16 46 o 192.602 6.5993  4583.34    308.405  4652.77    419.771  4501.90    454.610  192.575 8.9836  188.476 9.9763  4.099136       13.42498 
1 1 1 -11 -16 47 o 152.210 5.7687  2853.80    213.052  2936.32    285.997  2750.91    319.358  153.310 7.7129  147.638 8.9572  5.672134       11.82033 
1 1 1 -11 -16 48 o 16.731  6.1163  28.175     32.364   37.219     43.506   16.967     48.429   19.259  7.0836  17.735  7.2013  1.523998       10.10134 
1 1 1 -11 -16 49 o 81.378  3.8769  809.637    76.552   736.115    106.359  888.661    110.267  77.045  5.7304  84.792  5.3875  -7.747108      7.865273 
1 1 1 -11 -16 50 o 25.354  6.4128  82.747     39.478   104.976    48.066   36.668     69.203   28.491  7.0025  22.064  8.7258  6.427206       11.18818 
1 1 1 -11 -16 51 o 39.161  5.0423  191.706    46.799   157.815    60.171   243.599    74.456   34.923  7.3343  43.619  7.2923  -8.695999      10.34260 
1 1 1 -11 -16 52 o 115.950 6.5180  1678.28    182.634  1351.35    303.525  1863.83    228.661  100.090 12.790  121.486 7.7983  -21.39588      14.98034 
1 1 1 -11 -16 53 o 27.926  9.7094  93.108     80.560   186.678    145.101  51.414     96.859   37.908  13.039  25.720  10.275  12.18744       16.60103 
1 1 1 -11 -16 54 o 48.545  4.5381  292.630    52.835   292.184    68.137   293.303    83.673   48.115  5.9642  47.701  7.4748  0.4132500      9.562664 
1 1 1 -11 -16 55 o 45.040  4.7942  253.298    51.588   232.534    67.717   282.017    79.638   42.532  6.7900  46.759  7.2544  -4.226185      9.936315 
1 1 1 -11 -16 56 o 18.397  6.6699  36.179     38.373   53.327     47.958   5.6647     63.975   21.434  7.4892  18.759  7.9932  2.674570       10.95354 
1 1 1 -11 -16 57 o 14.820  6.1262  9.2362     35.851   -45.8535   46.816   87.345     55.746   12.717  5.9711  25.960  8.0310  -13.24335      10.00755 
1 1 1 -11 -16 58 o 64.477  4.5026  516.962    70.000   468.036    95.559   573.618    102.831  60.485  6.6192  67.134  6.3898  -6.649254      9.200155 
1 1 1 -11 -16 59 o 21.299  6.8346  56.933     40.026   81.261     49.362   10.227     68.396   24.962  7.5255  19.540  8.2935  5.422859       11.19890 
1 1 1 -11 -16 60 o 33.939  7.5964  153.299    60.996   153.299    60.996   0.0000     0.0000   33.939  7.5964  ?       ?       0.000000       7.596365 
1 1 1 -11 -16 61 o 39.749  10.548  221.120    103.420  233.525    175.287  214.495    128.091  40.261  14.296  38.778  12.203  1.483452       18.79605 
1 1 1 -11 -16 62 o 55.116  6.3027  388.012    82.772   521.607    176.540  350.369    93.711   60.123  12.509  51.714  7.7033  8.408672       14.69056 
1 1 1 -11 -16 63 o 52.790  6.3897  357.437    80.178   409.067    169.205  342.488    91.049   52.322  13.299  51.119  7.5694  1.203609       15.30263 
1 1 1 -11 -16 64 o 28.724  10.968  95.096     106.387  380.784    320.347  59.682     112.789  46.962  18.710  26.751  10.941  20.21058       21.67395 
1 1 1 -11 -15 1  o 124.491 3.6549  1882.77    110.402  1981.17    164.338  1801.84    149.043  127.608 5.3076  121.712 5.0468  5.895737       7.323974 
1 1 1 -11 -15 2  o 208.719 4.8744  5297.34    246.860  5234.02    358.196  5354.61    340.687  207.197 7.1248  209.630 6.6979  -2.433121      9.778796 
1 1 1 -11 -15 3  f 145.536 3.8077  2573.08    134.460  3369.82    198.734  1900.45    182.600  166.477 4.9199  124.951 6.0228  41.52624       7.776860 
1 1 1 -11 -15 4  o 348.641 7.1534  14811.75   605.140  15734.81   864.649  13925.55   847.211  358.608 9.9370  337.240 10.354  21.36871       14.35061 
1 1 1 -11 -15 5  o 185.348 4.4400  4174.49    199.679  4505.60    290.274  3877.07    275.112  192.412 6.2175  178.475 6.3529  13.93681       8.889064 
1 1 1 -11 -15 6  o 151.223 4.5011  2778.65    165.159  3269.59    299.914  2564.97    197.864  163.812 7.5455  145.230 5.6150  18.58194       9.405461 
1 1 1 -11 -15 7  o 286.249 6.0553  9966.80    420.573  10666.67   602.714  9302.62    587.151  295.772 8.3983  276.152 8.7627  19.61966       12.13736 
1 1 1 -11 -15 8  o 86.861  4.6324  919.268    97.280   1075.26    149.013  803.410    128.421  93.777  6.5907  80.992  6.5919  12.78455       9.321552 
1 1 1 -11 -15 9  o 219.121 9.7936  5861.02    520.704  0.0000     0.0000   5861.02    520.704  ?       ?       219.121 9.7936  0.000000       9.793603 
1 1 1 -11 -15 10 o 172.092 8.2946  3608.27    346.355  0.0000     0.0000   3608.27    346.355  ?       ?       172.092 8.2946  0.000000       8.294633 
1 1 1 -11 -15 11 o 244.029 10.628  7273.80    629.298  0.0000     0.0000   7273.80    629.298  ?       ?       244.029 10.628  0.000000       10.62799 
1 1 1 -11 -15 12 o 219.064 4.9202  5830.43    261.529  6582.73    377.386  5135.29    362.764  232.628 6.6859  205.416 7.2782  27.21141       9.883019 
1 1 1 -11 -15 13 o 245.065 5.4683  7298.99    325.161  6680.24    466.866  7881.88    453.136  234.189 8.2160  254.483 7.3385  -20.29454      11.01620 
1 1 1 -11 -15 14 f 207.096 4.7703  5210.31    239.707  5536.88    345.978  4908.83    332.422  213.349 6.6833  200.874 6.8203  12.47513       9.548997 
1 1 1 -11 -15 15 o 251.814 5.5173  7707.06    337.110  7807.47    483.801  7612.30    469.990  253.208 7.8745  250.038 7.7467  3.170013       11.04627 
1 1 1 -11 -15 16 o 182.257 4.4630  4034.95    197.365  3916.40    285.860  4142.93    272.829  179.431 6.5659  184.581 6.0917  -5.150528      8.956541 
1 1 1 -11 -15 17 o 229.245 5.1681  6386.73    287.470  6532.21    413.542  6250.69    399.889  231.637 7.3578  226.600 7.2730  5.037308       10.34574 
1 1 1 -11 -15 18 o 93.293  3.4302  1056.76    77.648   1226.63    116.110  919.321    104.437  100.475 4.7626  86.835  4.9775  13.63990       6.888987 
1 1 1 -11 -15 19 o 281.573 6.0841  9644.16    415.671  9365.32    595.285  9909.48    580.682  277.064 8.8548  285.080 8.3947  -8.016113      12.20164 
1 1 1 -11 -15 20 o 162.190 4.1569  3195.60    163.589  3584.32    238.559  2850.56    224.758  171.671 5.7271  153.072 6.0514  18.59898       8.331823 
1 1 1 -11 -15 21 o 192.030 4.5991  4481.41    214.292  4800.19    310.720  4192.26    295.931  198.578 6.4487  185.566 6.5725  13.01212       9.207777 
1 1 1 -11 -15 22 o 348.986 7.2417  14842.71   613.214  14485.57   870.351  15194.74   864.113  343.930 10.429  352.348 10.107  -8.418030      14.52345 
1 1 1 -11 -15 23 o 129.148 3.6549  2026.00    114.531  1891.69    163.380  2155.77    160.599  124.703 5.3995  133.150 4.9709  -8.447273      7.339279 
1 1 1 -11 -15 24 o 208.157 4.9119  5269.05    248.089  5430.76    353.482  5112.06    348.277  211.088 6.9014  204.786 7.0091  6.302124       9.836533 
1 1 1 -11 -15 25 o 132.553 5.1897  2137.39    166.913  2045.26    226.492  2246.90    246.933  129.299 7.2485  135.496 7.5407  -6.197479      10.45959 
1 1 1 -11 -15 26 o 57.001  4.7433  397.811    65.008   405.660    83.903   386.022    102.825  57.393  6.1193  55.700  7.8240  1.693523       9.932779 
1 1 1 -11 -15 27 f 371.854 10.772  16972.49   971.942  16753.72   1362.48  17199.17   1386.92  367.296 15.288  372.106 15.361  -4.809631      21.67215 
1 1 1 -11 -15 28 o 78.103  3.3558  740.896    63.595   727.317    91.069   753.821    88.847   77.181  4.8881  78.601  4.6797  -1.419411      6.767090 
1 1 1 -11 -15 29 o 157.292 4.1165  3006.62    157.107  3119.16    224.167  2897.98    220.250  160.078 5.7713  154.288 5.8833  5.789871       8.241440 
1 1 1 -11 -15 30 o 223.305 5.0925  6065.34    275.928  6043.93    393.032  6086.14    387.468  222.612 7.2764  223.408 7.1478  -0.7964478     10.19985 
1 1 1 -11 -15 31 o 161.919 4.1635  3186.30    163.578  3157.26    233.597  3214.25    229.136  161.030 5.9785  162.493 5.8116  -1.462738      8.337724 
1 1 1 -11 -15 32 o 154.690 4.1575  2908.21    156.049  2819.74    222.665  2993.60    218.762  152.170 6.0306  156.818 5.7493  -4.647644      8.331965 
1 1 1 -11 -15 33 o 94.121  4.3458  1076.88    99.248   916.296    197.761  1130.94    114.744  85.964  9.6477  96.302  4.9270  -10.33855      10.83298 
1 1 1 -11 -15 34 o 245.190 7.8955  7342.92    469.730  7383.60    690.780  7307.93    640.647  244.909 11.624  243.885 10.826  1.024246       15.88491 
1 1 1 -11 -15 35 o 249.617 7.8058  7611.62    472.773  8488.18    697.349  6866.04    643.140  262.729 10.939  236.212 11.221  26.51706       15.67092 
1 1 1 -11 -15 36 o 248.589 7.9625  7554.57    480.281  7785.25    708.994  7358.94    652.907  251.277 11.629  244.505 11.005  6.771637       16.01056 
1 1 1 -11 -15 37 o 303.889 6.4145  11263.94   472.980  11302.08   673.249  11226.77   664.625  303.569 9.1402  302.587 9.0524  0.9818420      12.86421 
1 1 1 -11 -15 38 o 246.411 5.5018  7398.52    328.948  7238.57    469.344  7552.95    461.170  243.157 7.9550  248.466 7.6494  -5.308823      11.03611 
1 1 1 -11 -15 39 o 148.632 4.0552  2687.32    146.246  2582.07    209.436  2787.47    204.305  145.471 5.9335  151.197 5.5689  -5.726761      8.137530 
1 1 1 -11 -15 40 o 127.835 3.8735  1988.23    120.148  2069.08    172.457  1911.98    167.483  130.227 5.4578  125.178 5.5142  5.048767       7.758421 
1 1 1 -11 -15 41 o 136.214 3.9961  2258.92    132.077  2308.83    189.974  2212.22    183.750  137.463 5.6957  134.567 5.6276  2.895432       8.006925 
1 1 1 -11 -15 42 o 61.997  3.6702  469.537    54.965   426.158    78.183   511.931    77.291   58.782  5.5471  64.567  4.9717  -5.785473      7.449051 
1 1 1 -11 -15 43 o 31.854  4.8724  126.760    36.462   108.015    50.605   146.999    52.583   29.052  7.2123  34.028  6.6068  -4.975950      9.780972 
1 1 1 -11 -15 44 o 14.424  5.6885  14.349     29.334   13.106     38.861   15.995     44.723   15.924  6.4562  17.157  6.9365  -1.232554      9.476163 
1 1 1 -11 -15 45 o 13.742  5.6198  8.3202     29.756   9.9769     39.988   6.2646     44.543   15.774  6.4901  16.178  6.7695  -0.4034109     9.378023 
1 1 1 -11 -15 46 o 138.959 5.4641  2371.98    184.234  2303.15    245.533  2460.67    278.702  136.010 7.4686  140.219 8.2276  -4.209015      11.11189 
1 1 1 -11 -15 47 o 207.949 6.9106  5360.44    348.688  5214.21    475.323  5530.83    513.078  203.051 9.6476  208.687 10.133  -5.636703      13.99097 
1 1 1 -11 -15 48 o 163.568 4.3836  3276.15    173.979  3128.73    249.790  3415.05    242.461  158.979 6.4755  166.325 6.0079  -7.346405      8.833250 
1 1 1 -11 -15 49 o 207.938 5.1220  5315.53    258.430  5068.39    370.320  5550.14    360.814  201.482 7.5749  211.248 7.0393  -9.766113      10.34072 
1 1 1 -11 -15 50 o 85.308  3.8830  889.977    80.375   893.586    110.930  885.988    116.619  85.001  5.4066  84.542  5.7187  0.4589157      7.869850 
1 1 1 -11 -15 51 o 57.291  4.2238  404.328    58.302   412.555    77.663   393.705    88.249   57.540  5.6349  55.914  6.6341  1.626247       8.704235 
1 1 1 -11 -15 52 o 55.552  7.8555  395.134    102.933  332.545    170.577  430.977    129.084  48.782  13.795  57.361  9.6148  -8.578506      16.81519 
1 1 1 -11 -15 53 o 35.664  9.5019  169.311    83.706   272.082    143.392  116.187    103.095  44.333  12.687  31.083  10.972  13.24970       16.77321 
1 1 1 -11 -15 54 o 19.393  6.7434  42.874     38.859   70.347     49.393   -1.7487    62.949   23.741  7.5896  18.174  7.8395  5.566757       10.91142 
1 1 1 -11 -15 55 o 31.772  5.7740  129.327    42.873   148.114    57.424   105.666    64.445   33.648  7.2477  28.466  8.6025  5.181276       11.24862 
1 1 1 -11 -15 56 o 31.225  5.7240  125.158    41.769   135.023    56.462   113.233    62.077   32.008  7.4154  29.259  8.3388  2.748310       11.15904 
1 1 1 -11 -15 57 o 26.852  6.4327  94.322     41.360   53.207     54.848   148.521    62.974   21.934  7.9709  33.402  7.8949  -11.46758      11.21891 
1 1 1 -11 -15 58 o 108.951 4.2360  1465.81    111.983  1472.37    162.688  1459.90    154.375  107.936 6.2385  107.683 5.9312  0.2529602      8.608037 
1 1 1 -11 -15 59 o 16.755  7.0613  7.7292     49.019   7.7292     49.019   0.0000     0.0000   16.755  7.0613  ?       ?       0.000000       7.061268 
1 1 1 -11 -15 60 o 39.105  7.4166  201.397    67.798   201.397    67.798   0.0000     0.0000   39.105  7.4166  ?       ?       0.000000       7.416572 
1 1 1 -11 -15 61 o 35.531  6.3810  163.695    52.991   126.503    60.798   281.255    108.092  30.739  8.0545  45.131  10.120  -14.39256      12.93438 
1 1 1 -11 -15 62 o 14.623  6.2922  -0.6700    40.352   -27.5384   47.870   65.295     75.006   13.953  6.3676  24.613  9.2529  -10.65999      11.23223 
1 1 1 -11 -15 63 o 22.121  8.5880  46.175     66.001   -76.4189   134.109  85.357     75.818   22.418  10.385  26.446  9.4009  -4.027792      14.00787 
1 1 1 -11 -15 64 o 36.024  10.795  184.036    101.798  -110.0334  268.263  233.505    110.028  30.481  14.306  40.354  10.955  -9.873617      18.01888 
1 1 1 -11 -14 1  f 91.878  3.3566  1025.20    74.829   906.088    113.734  1116.11    99.364   86.129  5.4706  95.834  4.2731  -9.704872      6.941670 
1 1 1 -11 -14 2  o 132.501 3.7386  2132.53    120.196  2357.13    178.652  1946.79    162.464  139.220 5.2886  126.523 5.2921  12.69702       7.481679 
1 1 1 -11 -14 3  o 320.896 6.6993  12537.70   521.625  13060.10   746.872  12040.23   728.838  326.944 9.4148  313.882 9.5698  13.06165       13.42452 
1 1 1 -11 -14 4  o 72.134  3.1632  631.739    55.364   780.556    85.029   522.213    72.946   80.034  4.3954  65.393  4.6272  14.64043       6.382032 
1 1 1 -11 -14 5  o 125.150 3.6377  1901.91    110.464  1996.66    163.518  1822.37    149.820  128.166 5.2581  122.454 5.0423  5.712234       7.285098 
1 1 1 -11 -14 6  o 118.141 3.5756  1694.68    102.497  1683.78    152.098  1703.75    138.728  117.702 5.3257  118.417 4.8282  -0.7149353     7.188488 
1 1 1 -11 -14 7  o 101.763 3.3774  1257.22    83.394   1405.36    124.715  1137.41    112.156  107.555 4.7788  96.760  4.7771  10.79531       6.757046 
1 1 1 -11 -14 8  f 508.617 20.494  32129.45   2529.19  0.0000     0.0000   32129.45   2529.19  ?       ?       508.617 20.494  0.000000       20.49402 
1 1 1 -11 -14 9  o 122.515 6.9720  1831.67    206.402  0.0000     0.0000   1831.67    206.402  ?       ?       122.515 6.9720  0.000000       6.972032 
1 1 1 -11 -14 10 o 429.705 17.397  22756.88   1813.88  0.0000     0.0000   22756.88   1813.88  ?       ?       429.705 17.397  0.000000       17.39695 
1 1 1 -11 -14 11 o 316.409 9.4305  12201.17   724.014  12151.67   1040.05  12247.71   1008.50  314.996 13.608  316.339 13.139  -1.342651      18.91560 
1 1 1 -11 -14 12 o 251.466 5.5611  7683.70    339.319  7093.61    486.898  8240.90    473.135  241.385 8.3131  260.259 7.4923  -18.87384      11.19117 
1 1 1 -11 -14 13 o 246.930 5.5075  7408.78    329.986  6770.81    473.480  8011.33    460.146  235.833 8.2743  256.618 7.3900  -20.78543      11.09400 
1 1 1 -11 -14 14 o 313.408 6.5672  11942.93   499.405  12265.25   713.360  11633.13   699.377  317.263 9.2667  308.970 9.3289  8.292694       13.14917 
1 1 1 -11 -14 15 o 421.118 8.5376  21597.41   872.378  21302.38   1241.01  21885.61   1226.57  417.390 12.254  423.147 11.946  -5.757172      17.11350 
1 1 1 -11 -14 16 o 134.872 3.8182  2208.62    124.952  2304.97    182.824  2124.17    171.171  137.725 5.4708  132.219 5.3355  5.506851       7.641813 
1 1 1 -11 -14 17 o 518.927 10.399  32869.93   1309.36  32519.13   1859.42  33214.96   1844.09  514.505 14.894  520.102 14.613  -5.596497      20.86563 
1 1 1 -11 -14 18 o 93.941  3.4576  1071.41    78.813   1163.26    117.269  995.746    106.433  97.722  4.9620  90.401  4.8702  7.321693       6.952671 
1 1 1 -11 -14 19 o 124.039 3.6541  1868.18    109.976  1976.99    157.012  1763.38    154.089  127.550 5.0733  120.454 5.2721  7.095566       7.316648 
1 1 1 -11 -14 20 o 123.322 3.6148  1846.74    108.166  1829.14    154.385  1863.71    151.592  122.675 5.1866  123.835 5.0451  -1.160103      7.235617 
1 1 1 -11 -14 21 o 71.483  3.2828  620.429    56.939   557.386    80.721   682.864    80.330   67.539  4.9604  74.838  4.4437  -7.298950      6.659723 
1 1 1 -11 -14 22 o 326.467 6.9240  12980.10   548.477  13293.26   778.478  12671.42   772.881  329.767 9.7291  321.920 9.8947  7.847076       13.87661 
1 1 1 -11 -14 23 o 122.717 3.6429  1829.10    108.471  1800.42    154.633  1856.89    152.197  121.676 5.2376  123.579 5.0757  -1.902565      7.293519 
1 1 1 -11 -14 24 o 106.154 3.5904  1368.75    92.479   1543.09    132.602  1203.66    129.039  112.657 4.8510  99.329  5.3740  13.32765       7.239628 
1 1 1 -11 -14 25 o 93.805  4.6732  1069.80    106.366  1066.72    141.989  1073.74    160.565  93.378  6.3037  93.579  7.1250  -0.2006149     9.513248 
1 1 1 -11 -14 26 f 213.512 6.8923  5556.95    357.067  5612.11    493.692  5496.45    517.056  214.114 9.5027  211.782 10.062  2.332550       13.83998 
1 1 1 -11 -14 27 o 321.605 9.4617  12660.47   738.338  12341.63   1031.67  12995.25   1057.13  316.101 13.451  324.372 13.431  -8.270813      19.00864 
1 1 1 -11 -14 28 o 184.062 4.4835  4118.35    200.239  4122.37    285.352  4114.46    281.059  183.964 6.3927  183.798 6.3022  0.1663208      8.976883 
1 1 1 -11 -14 29 o 78.983  3.4066  757.705    65.287   799.260    94.316   719.473    90.464   80.931  4.8248  76.765  4.8822  4.166260       6.864006 
1 1 1 -11 -14 30 o 218.169 4.9888  5788.66    264.092  5761.04    376.294  5815.47    370.734  217.371 7.1345  218.416 6.9954  -1.045517      9.991821 
1 1 1 -11 -14 31 f 140.600 3.9769  2402.07    135.673  2522.15    193.862  2286.80    189.940  143.965 5.5497  137.072 5.7109  6.893478       7.963279 
1 1 1 -11 -14 32 o 238.266 5.4156  6907.75    313.090  6793.72    445.495  7019.03    440.107  235.922 7.7823  239.843 7.5625  -3.920532      10.85158 
1 1 1 -11 -14 33 o 262.936 5.7365  8415.95    365.986  8372.54    520.929  8458.25    514.299  261.796 8.2007  263.165 8.0542  -1.368561      11.49444 
1 1 1 -11 -14 34 o 91.155  5.3634  1014.65    118.105  1083.50    191.288  972.234    150.141  93.768  8.5000  89.016  7.0080  4.751884       11.01643 
1 1 1 -11 -14 35 o 108.890 5.4264  1443.22    143.373  1706.15    227.598  1270.25    184.605  117.902 8.0032  101.729 7.5324  16.17313       10.99033 
1 1 1 -11 -14 36 o 237.825 7.7681  6911.01    448.266  6968.93    663.863  6862.47    607.736  237.814 11.505  236.266 10.601  1.548065       15.64420 
1 1 1 -11 -14 37 o 293.785 6.2952  10524.33   448.748  10738.70   638.955  10315.66   630.383  296.017 8.8959  290.108 8.9553  5.908813       12.62277 
1 1 1 -11 -14 38 o 106.059 4.0214  1367.79    103.489  1316.84    167.382  1399.33    131.672  103.643 6.6916  107.202 5.0620  -3.559425      8.390553 
1 1 1 -11 -14 39 o 85.650  3.5996  891.845    74.808   857.659    106.507  925.132    105.097  83.729  5.2694  87.007  4.9992  -3.278183      7.263453 
1 1 1 -11 -14 40 o 55.290  3.8379  373.677    51.169   346.502    71.896   401.571    72.841   52.984  5.6809  57.139  5.3148  -4.154491      7.779497 
1 1 1 -11 -14 41 o 97.928  3.6473  1166.82    86.665   1139.29    123.930  1193.18    121.240  96.464  5.3153  98.765  5.0763  -2.300797      7.349882 
1 1 1 -11 -14 42 o 45.745  4.0253  256.866    44.224   257.876    62.322   255.842    62.766   45.559  5.7669  45.362  5.8380  0.1968040      8.206061 
1 1 1 -11 -14 43 o 19.628  6.1656  46.745     32.716   52.795     44.258   39.457     48.577   21.390  7.2033  20.193  7.4748  1.196457       10.38077 
1 1 1 -11 -14 44 o 94.520  3.7124  1088.90    85.142   1039.27    120.891  1137.75    119.932  91.942  5.4432  96.278  5.1525  -4.336212      7.495113 
1 1 1 -11 -14 45 o 115.913 3.9324  1639.53    110.599  1647.11    157.046  1632.07    155.782  115.839 5.5874  115.313 5.5677  0.5252991      7.887837 
1 1 1 -11 -14 46 o 23.213  6.8563  67.736     41.290   73.673     49.924   54.884     73.453   24.401  7.6086  24.176  9.1415  0.2243633      11.89364 
1 1 1 -11 -14 47 o 31.122  6.2965  123.748    45.915   98.044     55.980   176.585    80.261   27.689  7.9282  36.769  9.0558  -9.080322      12.03597 
1 1 1 -11 -14 48 o 47.214  4.3508  275.156    49.283   305.881    65.023   233.677    75.549   49.562  5.4997  42.717  7.5658  6.844711       9.353493 
1 1 1 -11 -14 49 o 96.573  3.9313  1140.27    92.122   1035.97    128.320  1251.19    132.332  91.459  5.8125  100.668 5.4378  -9.208778      7.959570 
1 1 1 -11 -14 50 o 21.228  6.9055  54.418     40.765   27.075     49.526   111.862    71.785   18.860  7.4062  29.628  9.1048  -10.76752      11.73669 
1 1 1 -11 -14 51 o 17.501  6.6133  28.116     38.427   24.109     47.503   35.702     65.364   18.276  7.2289  21.541  8.4925  -3.264183      11.15261 
1 1 1 -11 -14 52 o 25.882  9.5156  71.571     78.494   -83.5050   144.893  135.987    93.384   23.856  10.958  32.552  10.439  -8.695570      15.13437 
1 1 1 -11 -14 53 o 55.330  6.9979  388.953    91.850   244.028    173.437  445.442    108.281  42.370  14.260  58.979  7.7543  -16.60918      16.23171 
1 1 1 -11 -14 54 f 36.476  5.1723  167.633    44.495   167.753    60.800   167.494    65.291   35.918  7.2266  35.745  7.7512  0.1736298      10.59740 
1 1 1 -11 -14 55 o 57.395  4.1726  407.268    57.711   430.040    80.808   383.562    82.450   58.502  5.7677  55.041  6.2864  3.461342       8.531416 
1 1 1 -11 -14 56 o 51.998  4.4757  336.072    55.919   166.163    75.878   538.037    82.727   35.162  8.8890  65.621  5.2393  -30.45944      10.31817 
1 1 1 -11 -14 57 o 15.204  6.1769  13.088     35.652   11.169     46.269   15.893     55.936   16.683  6.9331  18.455  7.6425  -1.772335      10.31871 
1 1 1 -11 -14 58 o 78.578  6.0293  779.966    114.079  779.966    114.079  0.0000     0.0000   78.578  6.0293  ?       ?       0.000000       6.029307 
1 1 1 -11 -14 59 o 24.261  8.2197  72.809     57.631   72.809     57.631   0.0000     0.0000   24.261  8.2197  ?       ?       0.000000       8.219663 
1 1 1 -11 -14 60 o 45.355  5.8575  261.931    62.955   321.023    73.186   93.775     123.456  50.169  6.1402  29.866  11.704  20.30291       13.21672 
1 1 1 -11 -14 61 o 20.465  7.1993  48.363     44.354   80.434     49.330   -86.9812   101.337  24.880  7.5281  18.727  8.7902  6.153219       11.57328 
1 1 1 -11 -14 62 o 43.232  5.1216  235.781    52.680   235.986    68.656   235.487    82.149   42.627  6.8716  41.966  8.3612  0.6611366      10.82254 
1 1 1 -11 -14 63 o 24.407  6.7330  78.250     41.170   72.730     49.560   90.541     73.953   23.823  7.6010  26.854  9.3047  -3.031031      12.01470 
1 1 1 -11 -14 64 o 46.756  9.7461  303.387    106.984  484.731    234.143  255.538    120.273  53.692  16.434  41.923  11.485  11.76869       20.04940 
1 1 1 -11 -13 1  o 232.374 7.3321  6579.63    413.411  7481.02    598.753  5758.42    571.502  247.324 9.9774  216.553 10.912  30.77124       14.78550 
1 1 1 -11 -13 2  o 214.496 4.8802  5591.66    253.993  6197.89    368.691  5044.06    350.408  225.645 6.7340  203.523 7.0957  22.12199       9.782434 
1 1 1 -11 -13 3  o 194.561 4.6356  4599.19    218.840  4593.53    318.270  4604.26    301.392  194.283 6.7514  194.541 6.3849  -0.2584076     9.292426 
1 1 1 -11 -13 4  o 155.245 4.0710  2926.96    153.348  2799.11    224.806  3038.23    209.714  151.719 6.1066  158.103 5.4667  -6.383804      8.196076 
1 1 1 -11 -13 5  o 222.365 5.0362  6007.56    271.728  6177.73    392.534  5851.00    376.527  225.324 7.1797  219.293 7.0763  6.030289       10.08079 
1 1 1 -11 -13 6  o 270.114 5.8181  8867.71    381.322  9055.40    547.545  8690.95    531.360  272.706 8.2749  267.171 8.1966  5.534943       11.64724 
1 1 1 -11 -13 7  o 21.417  5.2803  57.947     27.266   0.0000     0.0000   57.947     27.266   ?       ?       21.417  5.2803  0.000000       5.280274 
1 1 1 -11 -13 8  o 291.677 8.6678  10358.24   613.442  0.0000     0.0000   10358.24   613.442  ?       ?       291.677 8.6678  0.000000       8.667759 
1 1 1 -11 -13 9  o 196.318 9.0666  4693.35    431.884  0.0000     0.0000   4693.35    431.884  ?       ?       196.318 9.0666  0.000000       9.066565 
1 1 1 -11 -13 10 o 293.753 8.7105  10504.07   620.852  11463.92   894.112  9610.35    862.761  306.415 12.026  280.453 12.678  25.96298       17.47472 
1 1 1 -11 -13 11 o 343.513 10.220  14381.27   851.846  13605.02   1221.02  15117.33   1189.00  333.220 15.102  351.509 13.941  -18.28848      20.55249 
1 1 1 -11 -13 12 o 259.646 8.1749  8202.67    515.024  7543.37    744.308  8808.32    713.385  248.533 12.343  268.753 10.940  -20.22049      16.49292 
1 1 1 -11 -13 13 o 341.618 7.1125  14189.71   589.562  14046.32   840.924  14328.33   826.788  339.491 10.209  342.923 9.9365  -3.431915      14.24602 
1 1 1 -11 -13 14 o 296.272 6.2658  10667.75   450.438  11356.60   644.042  10008.18   630.213  305.443 8.6900  286.695 9.0595  18.74777       12.55350 
1 1 1 -11 -13 15 o 176.768 4.4226  3794.30    189.691  3477.21    274.676  4083.43    262.280  169.123 6.6935  183.316 5.8966  -14.19254      8.920355 
1 1 1 -11 -13 16 o 299.234 6.2807  10883.58   456.018  10933.82   647.644  10834.18   642.204  299.640 8.9078  298.276 8.8734  1.364075       12.57326 
1 1 1 -11 -13 17 o 19.256  5.4433  46.207     26.563   4.8040     36.892   90.779     38.278   14.800  6.1742  26.801  6.0318  -12.00064      8.631498 
1 1 1 -11 -13 18 o 276.254 6.0000  9276.58    402.181  9300.69    571.293  9252.89    566.280  276.343 8.5201  275.638 8.4670  0.7042542      12.01174 
1 1 1 -11 -13 19 f 222.774 5.0606  6029.77    273.546  6021.76    388.975  6037.60    384.763  222.458 7.2063  222.758 7.1186  -0.3005981     10.12942 
1 1 1 -11 -13 20 o 158.061 4.1432  3034.23    158.900  3221.19    226.245  2852.23    223.221  162.779 5.7282  153.157 6.0067  9.621628       8.300138 
1 1 1 -11 -13 21 o 193.875 4.6274  4566.78    217.681  4497.90    309.660  4634.07    306.068  192.259 6.6380  195.163 6.4633  -2.903809      9.264844 
1 1 1 -11 -13 22 o 210.075 4.9001  5363.63    249.774  5512.32    355.276  5218.32    351.227  212.783 6.8812  207.019 6.9922  5.763916       9.810316 
1 1 1 -11 -13 23 o 223.823 5.1034  6090.65    277.158  5925.30    394.009  6252.60    389.944  220.512 7.3639  226.556 7.0935  -6.044296      10.22475 
1 1 1 -11 -13 24 o 185.221 4.4768  4169.45    201.197  4222.27    286.353  4117.96    282.754  186.226 6.3372  183.911 6.3363  2.314728       8.961506 
1 1 1 -11 -13 25 o 162.910 5.8312  3230.07    230.500  3331.82    315.343  3113.34    337.763  165.241 7.8651  159.384 8.7675  5.856705       11.77832 
1 1 1 -11 -13 26 o 210.886 6.7997  5419.81    347.938  5177.38    479.800  5688.70    505.307  205.654 9.6152  215.561 9.6610  -9.906860      13.63039 
1 1 1 -11 -13 27 o 53.012  4.9258  344.688    62.635   388.800    81.030   279.200    98.729   56.189  6.0380  47.017  8.9817  9.172150       10.82264 
1 1 1 -11 -13 28 o 34.167  4.4067  144.241    35.681   130.815    52.273   155.954    48.825   32.152  6.9064  35.322  5.9054  -3.169243      9.086939 
1 1 1 -11 -13 29 o 162.436 4.2023  3206.56    165.629  3203.75    236.216  3209.29    232.302  162.221 6.0012  162.371 5.8963  -0.1499023     8.413131 
1 1 1 -11 -13 30 o 197.651 4.6887  4749.55    224.859  4786.65    320.529  4713.60    315.529  198.207 6.6648  196.696 6.6112  1.511307       9.387584 
1 1 1 -11 -13 31 o 196.497 4.7463  4694.59    226.296  4669.37    322.389  4719.09    317.724  195.745 6.7877  196.802 6.6536  -1.056519      9.504932 
1 1 1 -11 -13 32 o 122.523 3.8025  1823.84    113.043  1844.02    161.419  1804.42    158.360  123.109 5.4038  121.783 5.3591  1.326332       7.610616 
1 1 1 -11 -13 33 o 116.957 3.7772  1661.92    107.190  1633.32    153.069  1689.45    150.153  115.856 5.4451  117.842 5.2513  -1.986481      7.564754 
1 1 1 -11 -13 34 o 93.685  5.3687  1071.50    121.531  1153.19    196.432  1020.85    154.691  96.774  8.4502  91.226  7.0430  5.547554       11.00049 
1 1 1 -11 -13 35 o 52.299  6.3171  338.066    78.539   113.244    139.602  442.174    94.998   34.203  12.669  59.863  6.6528  -25.65973      14.30981 
1 1 1 -11 -13 36 o 201.735 6.9592  4965.29    340.648  5194.00    513.013  4784.92    455.582  205.646 10.281  197.557 9.5041  8.089233       14.00109 
1 1 1 -11 -13 37 o 324.363 6.8282  12839.61   537.406  12763.46   764.352  12914.06   755.734  322.410 9.7706  324.373 9.6020  -1.962921      13.69900 
1 1 1 -11 -13 38 o 119.976 3.7774  1749.81    109.964  1794.01    157.977  1708.27    153.160  121.358 5.3649  118.426 5.3301  2.932312       7.562519 
1 1 1 -11 -13 39 o 101.512 3.6825  1252.89    90.705   1287.59    129.890  1219.86    126.720  102.664 5.2316  99.919  5.2451  2.745224       7.408197 
1 1 1 -11 -13 40 o 68.963  3.6423  580.023    60.732   588.259    86.470   572.006    85.316   69.269  5.1823  68.299  5.1869  0.9696274      7.332162 
1 1 1 -11 -13 41 o 95.301  3.6147  1105.01    83.587   1091.74    119.879  1117.56    116.607  94.434  5.2525  95.581  5.0458  -1.146507      7.283510 
1 1 1 -11 -13 42 o 63.572  3.8729  493.980    59.455   397.607    80.938   606.931    87.623   56.685  5.9746  70.304  5.1729  -13.61894      7.902786 
1 1 1 -11 -13 43 o 56.815  3.9994  395.379    54.783   327.485    73.991   477.754    81.501   51.335  6.0569  62.250  5.4508  -10.91478      8.148444 
1 1 1 -11 -13 44 o 86.441  3.7397  910.773    78.437   905.021    109.534  916.826    112.375  85.810  5.2865  86.348  5.3905  -0.5379410     7.550153 
1 1 1 -11 -13 45 o 163.593 4.4271  3270.88    175.731  3192.64    251.463  3345.57    245.679  160.967 6.4383  164.892 6.1405  -3.924927      8.897060 
1 1 1 -11 -13 46 o 139.371 5.5560  2386.88    187.886  2441.74    249.882  2315.53    284.989  140.106 7.3764  135.777 8.6961  4.329132       11.40328 
1 1 1 -11 -13 47 o 53.818  4.9975  358.292    64.515   389.557    80.620   302.624    107.578  55.898  6.0401  48.204  9.5353  7.693562       11.28739 
1 1 1 -11 -13 48 o 40.403  4.6356  202.615    44.623   238.658    58.469   152.338    69.055   43.675  5.6498  34.206  8.3850  9.468597       10.11082 
1 1 1 -11 -13 49 o 108.986 4.0206  1452.66    106.324  1399.71    147.589  1509.80    153.304  106.395 5.7382  110.511 5.7369  -4.116661      8.114143 
1 1 1 -11 -13 50 o 66.876  4.1315  549.482    66.713   500.069    88.784   613.563    101.105  63.383  5.8386  70.215  5.9918  -6.832184      8.366016 
1 1 1 -11 -13 51 o 16.817  7.2125  -0.8171    52.702   40.453     126.772  -9.4401    57.947   27.758  11.501  16.993  7.4237  10.76474       13.68885 
1 1 1 -11 -13 52 o 68.736  6.4918  592.698    106.989  416.488    201.507  661.873    126.255  54.066  14.888  72.368  7.2893  -18.30264      16.57656 
1 1 1 -11 -13 53 o 51.851  7.1585  342.998    87.661   344.300    167.243  342.504    102.934  49.425  13.544  51.292  8.5734  -1.867302      16.02941 
1 1 1 -11 -13 54 o 65.767  3.9590  532.651    62.881   561.052    87.439   502.230    90.495   67.078  5.4186  63.258  5.9663  3.820065       8.059652 
1 1 1 -11 -13 55 o 53.520  4.2802  354.775    55.118   422.788    75.631   277.733    80.495   58.114  5.4264  46.334  7.4096  11.78010       9.184113 
1 1 1 -11 -13 56 o 49.280  4.3933  301.841    51.982   353.822    71.353   243.052    75.882   53.000  5.6348  43.169  7.5176  9.831215       9.394947 
1 1 1 -11 -13 57 o 71.610  5.7375  645.057    98.856   645.057    98.856   0.0000     0.0000   71.610  5.7375  ?       ?       0.000000       5.737537 
1 1 1 -11 -13 58 o 58.470  6.2993  435.221    87.959   435.221    87.959   0.0000     0.0000   58.470  6.2993  ?       ?       0.000000       6.299312 
1 1 1 -11 -13 59 o 17.767  6.9033  27.104     42.672   -19.7807   52.296   120.517    73.816   15.214  6.8264  30.055  9.2322  -14.84028      11.48185 
1 1 1 -11 -13 60 o 27.855  7.2635  102.603    49.599   125.996    56.834   27.865     101.586  30.772  7.6457  24.201  10.180  6.571087       12.73170 
1 1 1 -11 -13 61 o 56.103  5.3641  395.898    72.131   395.499    86.015   396.843    132.407  55.625  6.4952  53.642  10.549  1.983566       12.38809 
1 1 1 -11 -13 62 o 18.484  6.8431  35.332     40.718   9.5238     49.894   86.793     70.454   17.036  7.1489  26.391  9.0854  -9.354141      11.56080 
1 1 1 -11 -13 63 o 33.603  6.1412  146.572    48.227   130.727    59.571   176.708    82.157   31.199  7.8699  35.826  9.3513  -4.626125      12.22220 
1 1 1 -11 -12 1  o 97.212  4.8558  1148.37    114.535  1196.68    174.270  1111.63    151.966  98.865  7.3166  95.351  6.6091  3.513855       9.859686 
1 1 1 -11 -12 2  o 121.568 5.1614  1795.96    152.246  1783.19    225.496  1806.66    206.387  120.764 7.7362  121.642 7.0224  -0.8777161     10.44809 
1 1 1 -11 -12 3  o 225.376 5.1291  6171.62    280.484  6056.95    405.576  6276.75    388.316  223.083 7.4928  227.136 7.0459  -4.053558      10.28522 
1 1 1 -11 -12 4  f 177.704 4.3858  3834.97    189.106  3693.88    275.577  3960.54    259.978  174.298 6.5161  180.514 5.9356  -6.215668      8.814194 
1 1 1 -11 -12 5  o 173.514 4.2598  3655.79    179.343  4053.13    261.426  3302.55    246.491  182.627 5.8996  164.840 6.1628  17.78731       8.531384 
1 1 1 -11 -12 6  o 216.308 6.8649  5688.53    360.307  0.0000     0.0000   5688.53    360.307  ?       ?       216.308 6.8649  0.000000       6.864923 
1 1 1 -11 -12 7  o 179.242 6.0369  3903.77    262.554  0.0000     0.0000   3903.77    262.554  ?       ?       179.242 6.0369  0.000000       6.036922 
1 1 1 -11 -12 8  o 343.702 9.9816  14389.90   832.424  0.0000     0.0000   14389.90   832.424  ?       ?       343.702 9.9816  0.000000       9.981551 
1 1 1 -11 -12 9  o 402.809 11.504  19787.47   1124.34  20661.23   1607.39  18950.41   1573.27  410.578 16.135  393.122 16.493  17.45563       23.07306 
1 1 1 -11 -12 10 o 543.198 15.282  36120.42   2014.14  36383.44   2865.99  35863.76   2831.16  542.681 21.765  538.841 21.654  3.840271       30.70232 
1 1 1 -11 -12 11 o 438.839 12.487  23503.56   1329.60  24021.25   1897.93  23004.61   1863.22  442.326 17.684  432.848 17.740  9.477844       25.04869 
1 1 1 -11 -12 12 o 425.613 12.152  22101.21   1254.91  22543.20   1792.42  21676.27   1757.50  428.628 17.234  420.306 17.233  8.322235       24.37224 
1 1 1 -11 -12 13 o 543.837 12.516  36098.92   1651.59  34764.98   2881.93  36751.26   2015.37  530.189 22.402  547.959 15.158  -17.77063      27.04845 
1 1 1 -11 -12 14 o 382.329 7.8343  17777.03   726.776  17500.91   1030.68  18050.10   1024.97  378.869 11.212  384.807 10.978  -5.937866      15.69105 
1 1 1 -11 -12 15 o 335.540 6.9836  13686.33   568.572  13558.55   806.653  13812.49   801.535  333.627 9.9646  336.758 9.8094  -3.130798      13.98275 
1 1 1 -11 -12 16 o 179.281 4.3786  3902.61    190.473  3893.51    271.228  3911.47    267.549  178.996 6.2449  179.413 6.1459  -0.4169617     8.761909 
1 1 1 -11 -12 17 o 220.907 5.0088  5927.11    268.479  5989.37    381.654  5866.12    377.749  221.938 7.0872  219.643 7.0880  2.295609       10.02335 
1 1 1 -11 -12 18 o 173.392 4.2708  3650.69    179.681  3409.85    255.495  3886.36    252.743  167.489 6.2868  178.834 5.8246  -11.34427      8.570310 
1 1 1 -11 -12 19 o 182.721 4.5016  4054.84    199.580  4014.68    283.714  4094.19    280.806  181.714 6.4347  183.512 6.3063  -1.798264      9.009745 
1 1 1 -11 -12 20 o 229.693 5.2673  6410.89    293.561  6369.99    416.967  6451.10    413.372  228.772 7.5117  230.235 7.3996  -1.462921      10.54412 
1 1 1 -11 -12 21 o 119.646 3.6593  1738.18    106.234  1818.75    151.226  1659.68    149.269  122.339 5.0944  116.860 5.2643  5.478874       7.325717 
1 1 1 -11 -12 22 o 100.158 3.5035  1218.09    85.143   1185.46    122.294  1248.78    118.612  98.627  5.1280  101.374 4.8221  -2.746735      7.039107 
1 1 1 -11 -12 23 o 161.535 4.1424  3169.85    162.359  3168.54    231.196  3171.14    228.058  161.392 5.9038  161.464 5.8211  -0.7218933E-01 8.291009 
1 1 1 -11 -12 24 o 203.804 4.7798  5048.84    236.366  5081.35    336.298  5017.10    332.283  204.260 6.7854  202.969 6.7470  1.290939       9.568931 
1 1 1 -11 -12 25 o 244.983 7.6970  7320.41    457.530  7602.50    634.276  7014.40    660.618  249.087 10.495  239.049 11.389  10.03831       15.48718 
1 1 1 -11 -12 26 o 65.263  4.7928  520.638    75.365   623.653    98.115   372.382    117.704  71.360  5.7145  54.444  9.2403  16.91530       10.86454 
1 1 1 -11 -12 27 o 123.975 5.1688  1869.53    155.486  1894.74    208.919  1838.23    232.792  124.487 6.9442  122.475 7.8753  2.012451       10.49963 
1 1 1 -11 -12 28 o 64.133  3.5087  501.082    54.393   490.432    78.513   510.911    75.425   63.291  5.1574  64.641  4.8441  -1.350082      7.075610 
1 1 1 -11 -12 29 f 53.735  3.6718  352.388    47.587   339.488    69.450   363.803    65.334   52.534  5.5315  54.468  4.9993  -1.933781      7.455935 
1 1 1 -11 -12 30 o 142.008 3.9530  2450.24    136.210  2423.66    194.793  2475.66    190.536  141.124 5.6886  142.644 5.5050  -1.519623      7.916180 
1 1 1 -11 -12 31 o 149.590 4.1399  2719.28    150.264  2704.70    213.953  2733.47    211.086  149.062 5.9155  149.862 5.8050  -0.7998657     8.287998 
1 1 1 -11 -12 32 o 89.664  3.6353  976.623    79.090   1024.77    112.585  929.716    111.130  91.651  5.0826  87.264  5.2732  4.387024       7.323902 
1 1 1 -11 -12 33 o 51.113  5.0362  320.809    61.648   191.845    128.913  359.045    70.194   39.510  12.211  54.053  5.4252  -14.54237      13.36203 
1 1 1 -11 -12 34 o 106.564 5.5182  1385.72    142.194  1344.03    229.068  1411.85    181.367  104.416 9.1332  107.381 6.9992  -2.964203      11.50671 
1 1 1 -11 -12 35 f 144.883 5.8873  2556.20    206.966  2749.94    321.316  2418.83    270.570  149.659 8.8883  140.496 7.9697  9.162354       11.93812 
1 1 1 -11 -12 36 o 184.067 6.6629  4131.49    297.578  4140.98    451.440  4124.21    395.721  183.380 10.186  183.540 8.8857  -0.1595306     13.51693 
1 1 1 -11 -12 37 o 123.924 3.8909  1866.70    116.997  1819.09    167.844  1911.69    163.172  122.204 5.6605  125.302 5.3669  -3.097168      7.800319 
1 1 1 -11 -12 38 o 75.457  3.5989  692.020    65.892   657.698    93.813   725.438    92.570   73.294  5.3111  77.035  4.9791  -3.740753      7.280080 
1 1 1 -11 -12 39 o 24.371  6.3531  75.195     37.953   66.473     49.430   87.722     59.239   23.615  7.5969  26.781  8.2778  -3.165792      11.23548 
1 1 1 -11 -12 40 o 94.913  3.8046  1095.88    87.620   1098.09    121.909  1093.53    126.020  94.738  5.3249  94.511  5.5193  0.2270660      7.669222 
1 1 1 -11 -12 41 o 11.453  5.1965  -18.5655   31.296   -61.7020   38.797   61.799     52.954   10.474  5.0572  23.251  7.8791  -12.77766      9.362444 
1 1 1 -11 -12 42 f 14.325  5.8891  7.9165     32.892   -29.4698   41.190   73.715     54.644   12.776  5.8589  24.773  7.9895  -11.99762      9.907507 
1 1 1 -11 -12 43 o 9.2921  4.4351  -37.4797   27.922   -39.6651   33.855   -32.8314   49.374   10.559  4.9945  14.113  6.4509  -3.553934      8.158354 
1 1 1 -11 -12 44 o 87.499  3.8411  933.467    81.549   944.097    113.827  922.258    116.890  87.627  5.3796  86.557  5.5955  1.070114       7.762088 
1 1 1 -11 -12 45 o 59.273  4.0496  430.845    57.893   419.607    77.668   444.895    86.846   58.213  5.5665  59.847  6.0643  -1.633972      8.231788 
1 1 1 -11 -12 46 o 82.520  4.8967  837.263    97.607   911.693    125.074  721.326    156.100  85.832  6.0441  75.480  8.6813  10.35195       10.57814 
1 1 1 -11 -12 47 f 60.851  4.9138  456.968    71.933   482.259    90.212   412.812    119.199  62.258  6.0481  56.699  8.9622  5.559460       10.81202 
1 1 1 -11 -12 48 o 106.173 3.7696  1376.85    97.111   1409.68    139.342  1345.86    135.414  106.927 5.3880  104.482 5.3595  2.445450       7.599638 
1 1 1 -11 -12 49 o 142.457 4.2651  2484.32    147.426  2321.21    210.165  2642.33    206.856  136.968 6.3238  146.352 5.8251  -9.383575      8.597825 
1 1 1 -11 -12 50 o 75.798  3.9312  704.524    72.054   610.169    99.699   807.695    104.253  70.040  5.9220  80.820  5.3464  -10.78031      7.978382 
1 1 1 -11 -12 51 o 60.237  5.5270  451.338    79.881   354.353    183.961  473.874    88.677   50.364  14.355  61.599  6.0095  -11.23506      15.56256 
1 1 1 -11 -12 52 o 17.286  7.4662  -3.5012    57.249   231.915    122.901  -68.7366   64.696   41.363  11.714  14.734  6.9493  26.62904       13.62031 
1 1 1 -11 -12 53 o 73.759  4.3400  670.666    77.330   680.364    96.756   653.516    128.663  73.965  5.4291  71.693  7.5076  2.271729       9.264994 
1 1 1 -11 -12 54 o 71.772  4.1005  634.744    71.113   595.525    97.606   679.113    103.818  68.947  5.8910  73.670  5.8562  -4.723419      8.306603 
1 1 1 -11 -12 55 o 70.951  4.0372  620.715    69.215   559.811    94.050   692.676    102.231  66.769  5.8647  74.384  5.7078  -7.614708      8.183705 
1 1 1 -11 -12 56 o 41.813  4.5852  218.454    45.756   209.555    62.197   228.950    67.552   40.337  6.5818  42.108  6.8470  -1.770485      9.497405 
1 1 1 -11 -12 57 o 42.005  7.0489  229.219    69.298   229.219    69.298   0.0000     0.0000   42.005  7.0489  ?       ?       0.000000       7.048928 
1 1 1 -11 -12 58 o 33.367  7.6098  147.776    60.244   147.776    60.244   0.0000     0.0000   33.367  7.6098  ?       ?       0.000000       7.609762 
1 1 1 -11 -12 59 o 45.198  5.0414  256.889    54.346   207.359    70.150   331.242    85.949   39.680  7.5621  50.554  7.2113  -10.87363      10.44935 
1 1 1 -11 -12 60 o 15.516  6.5644  4.7517     42.631   5.7554     46.920   0.0031     102.060  16.288  6.8888  22.694  9.8848  -6.405418      12.04847 
1 1 1 -11 -12 61 o 23.150  7.3676  67.952     46.586   70.839     52.615   57.474     100.229  23.795  7.8503  25.989  10.427  -2.193703      13.05206 
1 1 1 -11 -12 62 o 48.376  4.8900  293.586    56.611   261.006    73.278   341.816    89.157   44.835  6.9616  51.233  7.3853  -6.398239      10.14921 
1 1 1 -11 -12 63 o 20.553  8.4630  25.140     68.060   -414.7930  211.321  76.056     71.891   21.396  10.621  25.312  9.1367  -3.916761      14.00984 
1 1 1 -11 -11 1  o 146.511 5.5444  2608.91    197.100  2901.78    289.212  2354.92    269.332  154.190 7.7550  138.830 8.0297  15.36035       11.16316 
1 1 1 -11 -11 2  o 159.446 5.7923  3089.80    224.092  3158.52    325.630  3027.97    308.862  160.838 8.3729  157.501 8.1095  3.336563       11.65625 
1 1 1 -11 -11 3  o 151.652 4.0271  2792.33    148.184  2654.33    217.689  2911.49    202.285  147.784 6.0708  154.806 5.3853  -7.022644      8.115192 
1 1 1 -11 -11 4  o 224.487 5.0351  6120.71    274.261  6793.56    396.222  5501.79    380.012  236.388 6.9080  212.700 7.3632  23.68839       10.09636 
1 1 1 -11 -11 5  o 140.883 4.4177  2409.92    151.015  2519.33    281.657  2365.77    178.904  143.683 8.1121  139.563 5.2831  4.119522       9.680720 
1 1 1 -11 -11 6  o 70.728  4.2356  609.499    72.355   0.0000     0.0000   609.499    72.355   ?       ?       70.728  4.2356  0.000000       4.235620 
1 1 1 -11 -11 7  o 257.601 7.8468  8069.09    490.462  0.0000     0.0000   8069.09    490.462  ?       ?       257.601 7.8468  0.000000       7.846820 
1 1 1 -11 -11 8  o 237.339 5.1867  6840.59    298.691  8039.95    429.660  5718.88    415.520  257.210 6.8845  216.870 7.8964  40.34009       10.47611 
1 1 1 -11 -11 9  o 138.544 5.4355  2331.13    182.724  2582.72    273.880  2129.31    245.297  145.543 7.7836  132.120 7.6849  13.42273       10.93816 
1 1 1 -11 -11 10 o 148.218 5.6396  2668.22    202.821  2750.93    301.440  2599.80    274.162  150.173 8.3049  146.028 7.7655  4.144989       11.36993 
1 1 1 -11 -11 11 o 387.598 15.758  18383.86   1481.99  0.0000     0.0000   18383.86   1481.99  ?       ?       387.598 15.758  0.000000       15.75792 
1 1 1 -11 -11 12 o 139.790 5.5076  2373.28    186.810  2435.75    279.126  2322.60    251.420  141.293 8.1767  138.021 7.5359  3.271774       11.11971 
1 1 1 -11 -11 13 o 138.469 4.5018  2327.84    151.252  2040.40    278.605  2447.96    180.104  129.196 8.9424  141.979 5.2280  -12.78348      10.35852 
1 1 1 -11 -11 14 o 207.335 4.7781  5219.60    240.375  5046.35    341.674  5389.37    338.235  203.773 6.9104  210.600 6.6191  -6.826675      9.568955 
1 1 1 -11 -11 15 f 255.030 5.6772  7900.18    351.311  7859.69    498.802  7940.03    494.880  254.218 8.0864  255.522 7.9819  -1.304077      11.36227 
1 1 1 -11 -11 16 o 78.164  3.2318  741.526    61.294   671.157    87.025   810.800    86.345   74.185  4.8615  81.603  4.3768  -7.417580      6.541448 
1 1 1 -11 -11 17 o 148.251 4.0141  2668.19    144.395  2567.32    205.557  2766.45    202.880  145.368 5.8277  150.911 5.5406  -5.542450      8.041168 
1 1 1 -11 -11 18 o 225.557 5.0856  6179.36    278.332  6379.76    395.406  5982.55    391.860  229.060 7.1143  221.803 7.2811  7.257034       10.17978 
1 1 1 -11 -11 19 o 171.227 4.3785  3560.24    181.913  3655.28    258.964  3467.66    255.598  173.419 6.1543  168.906 6.2366  4.513458       8.761898 
1 1 1 -11 -11 20 o 162.513 4.2085  3207.16    165.949  3534.40    236.051  2887.38    233.348  170.536 5.7046  154.112 6.2403  16.42378       8.454813 
1 1 1 -11 -11 21 o 147.612 3.9946  2645.98    143.072  2622.74    203.876  2668.52    200.827  146.889 5.7202  148.173 5.5859  -1.283142      7.995152 
1 1 1 -11 -11 22 o 61.385  3.4721  458.970    51.503   464.770    74.288   453.603    71.466   61.641  5.0103  60.904  4.8769  0.7366028      6.991922 
1 1 1 -11 -11 23 o 255.816 5.7091  7958.40    354.370  8377.67    503.151  7545.73    499.181  262.180 7.9092  248.769 8.2698  13.41122       11.44317 
1 1 1 -11 -11 24 o 152.693 4.0310  2832.32    149.346  2883.34    212.831  2782.82    209.621  153.961 5.6972  151.253 5.7117  2.708527       8.067320 
1 1 1 -11 -11 25 o 221.940 7.1325  6002.78    384.096  6034.58    529.666  5967.50    557.813  222.081 9.8294  220.729 10.415  1.352371       14.32104 
1 1 1 -11 -11 26 o 105.285 4.9376  1347.89    126.137  1373.61    167.546  1314.22    191.641  105.993 6.5467  103.514 7.6849  2.479660       10.09540 
1 1 1 -11 -11 27 f 171.476 6.0832  3579.98    253.105  3688.85    345.066  3453.19    372.382  173.815 8.1818  167.788 9.1815  6.026718       12.29805 
1 1 1 -11 -11 28 o 16.459  6.1558  24.556     33.115   -12.8016   45.759   65.638     47.985   14.892  6.5488  23.455  7.4788  -8.563023      9.940797 
1 1 1 -11 -11 29 o 102.554 3.6207  1277.54    90.095   1255.26    128.089  1299.35    126.749  101.455 5.2210  103.365 5.0537  -1.910446      7.266224 
1 1 1 -11 -11 30 o 122.005 3.7656  1808.30    111.475  1801.27    159.634  1814.98    155.738  121.682 5.4067  122.154 5.2544  -0.4716415     7.539328 
1 1 1 -11 -11 31 o 166.540 4.3729  3370.96    176.707  3339.09    251.608  3401.98    248.230  165.594 6.2621  167.160 6.1201  -1.565903      8.756080 
1 1 1 -11 -11 32 o 9.6521  4.5767  -35.4145   28.769   -35.7596   38.929   -34.9993   42.704   11.938  5.5523  12.761  5.8931  -0.8226690     8.096681 
1 1 1 -11 -11 33 o 168.376 6.3898  3453.35    261.057  3256.44    395.806  3604.97    347.310  162.719 10.074  171.792 8.3320  -9.072754      13.07351 
1 1 1 -11 -11 34 o 275.120 8.5009  9250.69    567.483  9809.99    833.264  8766.88    774.987  282.233 12.168  266.871 11.968  15.36200       17.06730 
1 1 1 -11 -11 35 o 270.862 8.6036  8971.58    565.450  8762.67    830.959  9151.74    771.662  266.398 12.855  272.668 11.663  -6.270630      17.35793 
1 1 1 -11 -11 36 o 79.720  4.2343  774.775    81.612   794.997    100.148  734.797    140.812  80.665  5.1436  77.200  7.6165  3.464645       9.190597 
1 1 1 -11 -11 37 o 60.306  4.0901  444.169    59.495   366.392    80.331   538.664    88.545   54.479  6.1868  66.275  5.5575  -11.79600      8.316409 
1 1 1 -11 -11 38 o 78.972  3.7505  758.126    71.867   751.804    99.010   765.165    104.481  78.396  5.2351  79.063  5.4801  -0.6663208     7.578751 
1 1 1 -11 -11 39 o 110.548 4.0768  1486.63    109.354  962.291    152.495  2041.69    156.898  88.411  7.1704  129.466 4.9946  -41.05489      8.738448 
1 1 1 -11 -11 40 o 100.100 3.8526  1219.05    93.573   1180.81    131.109  1258.76    133.589  98.219  5.5239  101.431 5.4479  -3.212212      7.758381 
1 1 1 -11 -11 41 o 73.844  3.8792  665.585    69.262   639.973    94.621   695.149    101.660  72.191  5.4419  75.228  5.6097  -3.037117      7.815547 
1 1 1 -11 -11 42 o 68.718  3.8429  576.875    63.819   607.135    87.312   542.162    93.515   70.315  5.1534  66.300  5.8739  4.014908       7.814119 
1 1 1 -11 -11 43 o 46.055  4.5022  261.325    49.668   208.725    66.934   325.781    74.095   40.618  7.0470  51.188  6.0848  -10.57015      9.310511 
1 1 1 -11 -11 44 o 80.624  3.8518  792.616    75.351   756.944    103.610  832.663    109.782  78.402  5.4810  82.236  5.5340  -3.834274      7.788841 
1 1 1 -11 -11 45 o 67.052  3.8769  550.385    62.805   535.002    87.189   566.976    90.547   65.803  5.5115  67.744  5.5576  -1.941017      7.827101 
1 1 1 -11 -11 46 o 64.316  4.9687  509.983    76.939   599.338    96.764   356.385    126.866  69.569  5.7849  52.210  10.380  17.35849       11.88314 
1 1 1 -11 -11 47 o 86.799  4.9543  927.078    103.911  998.870    133.064  814.875    166.352  89.776  6.1455  80.180  8.6897  9.596153       10.64324 
1 1 1 -11 -11 48 o 132.149 4.0935  2135.53    131.256  2217.25    189.417  2060.04    182.051  134.114 5.8208  129.279 5.8037  4.835770       8.219722 
1 1 1 -11 -11 49 o 152.265 4.3892  2839.66    162.162  2775.90    231.711  2900.86    227.023  149.760 6.3766  153.220 6.1065  -3.459549      8.828912 
1 1 1 -11 -11 50 o 105.161 3.9479  1352.69    100.736  1253.90    141.419  1454.44    143.528  100.610 5.8178  108.508 5.4690  -7.897957      7.984801 
1 1 1 -11 -11 51 o 58.268  6.7722  427.812    93.960   482.588    179.922  407.271    110.177  59.397  12.857  56.313  8.3134  3.083454       15.31064 
1 1 1 -11 -11 52 o 33.639  8.6679  148.974    71.190   143.939    152.335  150.381    80.524   35.440  13.213  33.760  9.4542  1.680058       16.24723 
1 1 1 -11 -11 53 o 33.471  5.5233  142.175    43.292   78.754     56.064   235.850    68.136   25.129  8.0914  42.953  6.7612  -17.82320      10.54437 
1 1 1 -11 -11 54 o 31.128  6.3393  125.175    46.254   70.152     57.033   230.912    79.062   24.121  8.1769  41.999  8.0514  -17.87725      11.47545 
1 1 1 -11 -11 55 o 43.954  4.6558  241.059    48.899   273.993    67.058   203.660    71.458   46.462  6.0953  39.410  7.7489  7.051308       9.858908 
1 1 1 -11 -11 56 o 64.608  5.8422  525.571    90.594   525.571    90.594   0.0000     0.0000   64.608  5.8422  ?       ?       0.000000       5.842197 
1 1 1 -11 -11 57 o 53.006  6.1195  356.979    77.260   356.979    77.260   0.0000     0.0000   53.006  6.1195  ?       ?       0.000000       6.119524 
1 1 1 -11 -11 58 o 28.526  6.2444  106.113    42.022   127.378    50.418   57.729     76.050   31.145  6.8572  24.101  9.2562  7.044632       11.51947 
1 1 1 -11 -11 59 o 11.779  5.4154  -24.8008   35.495   -25.3528   41.271   -23.2322   69.565   12.900  5.8969  17.600  7.8865  -4.700035      9.847372 
1 1 1 -11 -11 60 o 51.532  5.6636  335.596    69.647   307.068    80.950   416.892    136.652  48.739  7.0499  55.049  10.615  -6.310646      12.74312 
1 1 1 -11 -11 61 o 22.518  7.3262  63.424     45.884   22.990     57.392   135.045    76.383   19.227  7.8271  31.650  9.3190  -12.42319      12.16989 
1 1 1 -11 -11 62 o 22.998  7.1605  67.765     44.235   46.961     53.425   113.128    78.888   21.076  7.8315  29.337  9.6093  -8.260675      12.39636 
1 1 1 -11 -11 63 o 20.984  9.4801  -32.9074   102.862  0.0000     0.0000   -32.9074   102.862  ?       ?       20.984  9.4801  0.000000       9.480117 
1 1 1 -11 -10 1  o 264.485 8.1532  8514.82    523.232  8412.71    749.684  8611.80    730.608  262.423 11.774  265.577 11.338  -3.153503      16.34523 
1 1 1 -11 -10 2  o 113.794 4.9212  1572.70    135.881  1585.21    199.157  1561.81    185.861  113.945 7.2409  113.141 6.8019  0.8046494      9.934602 
1 1 1 -11 -10 3  o 153.320 4.5437  2854.30    169.035  2877.06    300.944  2843.81    204.308  153.576 8.1047  153.008 5.5031  0.5682068      9.796488 
1 1 1 -11 -10 4  o 470.879 10.837  27020.19   1238.17  27200.56   2152.53  26930.99   1513.65  470.331 18.862  469.577 13.285  0.7543030      23.07056 
1 1 1 -11 -10 5  o 246.608 7.5741  7393.45    453.210  0.0000     0.0000   7393.45    453.210  ?       ?       246.608 7.5741  0.000000       7.574052 
1 1 1 -11 -10 6  o 308.179 9.0835  11555.31   679.236  0.0000     0.0000   11555.31   679.236  ?       ?       308.179 9.0835  0.000000       9.083519 
1 1 1 -11 -10 7  o 497.943 13.995  30278.90   1690.85  0.0000     0.0000   30278.90   1690.85  ?       ?       497.943 13.995  0.000000       13.99462 
1 1 1 -11 -10 8  o 386.571 7.8555  18166.53   736.834  19082.25   1049.23  17275.46   1035.00  395.821 10.925  376.561 11.328  19.26019       15.73734 
1 1 1 -11 -10 9  o 306.126 6.4078  11384.44   475.962  11758.36   675.888  11016.61   670.370  310.916 8.9592  300.930 9.1809  9.986023       12.82792 
1 1 1 -11 -10 10 f 251.462 7.8796  7686.75    480.772  7674.77    696.771  7697.65    664.226  250.989 11.441  251.413 10.888  -0.4234009     15.79426 
1 1 1 -11 -10 11 f 242.782 7.7180  7164.70    454.660  6957.77    659.985  7351.60    627.236  238.983 11.382  245.727 10.520  -6.744644      15.49872 
1 1 1 -11 -10 12 o 308.861 9.3359  11606.02   699.654  11121.30   1006.92  12058.53   972.877  301.847 13.748  314.442 12.751  -12.59515      18.75117 
1 1 1 -11 -10 13 o 377.484 8.9554  17332.96   820.254  17034.63   1439.62  17476.38   998.116  373.168 15.899  378.808 10.859  -5.640320      19.25384 
1 1 1 -11 -10 14 o 488.609 9.6235  29054.02   1140.93  29877.29   1615.60  28234.96   1611.46  494.750 13.458  480.883 13.811  13.86746       19.28356 
1 1 1 -11 -10 15 o 308.532 6.4888  11565.63   485.768  11021.63   688.792  12103.95   685.183  300.944 9.4328  315.422 8.9526  -14.47864      13.00486 
1 1 1 -11 -10 16 o 258.932 5.4428  8142.76    341.957  8380.84    485.367  7908.12    481.852  262.555 7.6188  255.031 7.7868  7.524109       10.89400 
1 1 1 -11 -10 17 o 479.382 9.6779  27979.92   1125.71  27430.66   1593.76  28526.76   1590.24  473.768 13.864  483.216 13.563  -9.448425      19.39510 
1 1 1 -11 -10 18 f 158.779 4.1737  3060.78    160.799  3250.93    228.557  2874.43    226.268  163.584 5.7582  153.808 6.0629  9.775421       8.361568 
1 1 1 -11 -10 19 o 119.517 3.7034  1734.04    107.397  1752.49    152.899  1716.07    150.886  120.114 5.2462  118.859 5.2318  1.254234       7.409101 
1 1 1 -11 -10 20 o 281.362 6.1805  9622.68    421.941  10237.94   598.324  9014.00    595.118  289.970 8.5039  272.024 9.0164  17.94543       12.39403 
1 1 1 -11 -10 21 o 227.504 5.2494  6288.97    289.773  6388.05    411.248  6191.27    408.370  229.115 7.3975  225.553 7.4618  3.562424       10.50719 
1 1 1 -11 -10 22 o 182.010 4.5578  4024.30    201.286  4044.73    285.985  4004.24    283.355  182.351 6.4636  181.438 6.4363  0.9129944      9.121622 
1 1 1 -11 -10 23 o 181.320 4.4545  3994.24    195.979  3978.06    278.194  4010.17    276.129  180.823 6.3406  181.557 6.2681  -0.7339783     8.915834 
1 1 1 -11 -10 24 o 284.520 6.0850  9849.75    420.084  9654.67    595.440  10043.06   592.745  281.257 8.7251  286.899 8.5148  -5.642151      12.19136 
1 1 1 -11 -10 25 o 285.277 8.6999  9937.92    602.208  10193.76   836.300  9662.38    867.880  288.094 11.964  280.249 12.763  7.845459       17.49351 
1 1 1 -11 -10 26 f 413.059 11.899  20969.37   1192.60  20767.18   1669.95  21179.83   1703.74  408.429 16.851  412.355 17.028  -3.926727      23.95651 
1 1 1 -11 -10 27 o 227.211 7.2643  6294.48    400.485  6210.60    551.058  6388.39    583.038  225.173 10.086  228.276 10.526  -3.103012      14.57835 
1 1 1 -11 -10 28 o 168.316 4.2962  3443.01    175.460  3560.99    249.294  3327.20    246.997  171.035 6.0071  165.311 6.1578  5.724106       8.602540 
1 1 1 -11 -10 29 o 192.815 4.7142  4519.73    220.551  4614.92    313.534  4426.48    310.303  194.638 6.6389  190.615 6.7091  4.023453       9.438582 
1 1 1 -11 -10 30 o 310.134 6.5810  11715.86   495.227  11755.10   702.773  11677.16   697.964  310.024 9.3423  309.003 9.3091  1.020691       13.18856 
1 1 1 -11 -10 31 o 224.529 5.1682  6131.44    281.564  6210.95    400.555  6053.77    395.871  225.699 7.3142  222.823 7.3220  2.875305       10.34938 
1 1 1 -11 -10 32 o 115.144 3.8351  1610.73    107.146  1624.55    152.952  1597.41    150.143  115.554 5.4551  114.588 5.4001  0.9660568      7.675890 
1 1 1 -11 -10 33 o 61.263  6.5482  462.392    95.831   252.893    153.746  595.497    122.549  44.896  13.222  69.491  7.3811  -24.59431      15.14246 
1 1 1 -11 -10 34 o 202.896 7.2720  5021.17    358.008  4424.54    534.071  5508.05    482.455  189.319 11.683  212.132 9.3732  -22.81270      14.97859 
1 1 1 -11 -10 35 o 179.473 6.7049  3926.57    291.980  3835.02    441.118  3997.96    389.523  176.494 10.346  180.771 8.8806  -4.277084      13.63451 
1 1 1 -11 -10 36 o 132.541 4.1218  2135.40    132.557  2173.27    186.048  2096.36    188.911  133.589 5.7397  131.187 5.9348  2.402084       8.256273 
1 1 1 -11 -10 37 o 36.677  5.2389  167.047    45.298   213.124    58.472   97.888     71.635   41.396  5.9959  28.576  9.1405  12.81959       10.93164 
1 1 1 -11 -10 38 o 229.596 5.4130  6421.91    301.557  6112.89    429.225  6723.10    423.761  223.479 7.9156  234.486 7.4480  -11.00734      10.86876 
1 1 1 -11 -10 39 o 138.228 4.1063  2324.50    137.724  2222.49    195.344  2425.33    194.204  134.954 5.9655  141.017 5.6757  -6.063202      8.234191 
1 1 1 -11 -10 40 o 182.141 4.7042  4042.11    207.901  3851.23    296.249  4227.34    291.833  177.357 6.8840  185.915 6.4693  -8.557419      9.446774 
1 1 1 -11 -10 41 o 71.007  3.8876  615.619    66.725   604.314    91.660   628.364    97.322   70.136  5.4283  71.489  5.6568  -1.352951      7.840007 
1 1 1 -11 -10 42 o 60.265  4.0852  444.577    59.384   397.326    79.847   503.060    88.833   56.670  5.8931  63.854  5.7967  -7.184147      8.266185 
1 1 1 -11 -10 43 o 74.535  3.7483  678.569    67.572   683.005    95.421   674.107    95.702   74.527  5.3115  74.027  5.3644  0.4996414      7.549138 
1 1 1 -11 -10 44 o 130.489 4.0719  2077.66    128.923  2095.22    185.241  2061.16    179.543  130.643 5.8437  129.612 5.7090  1.031784       8.169527 
1 1 1 -11 -10 45 o 105.503 5.0430  1363.70    129.098  1266.63    166.957  1508.05    203.588  101.044 6.8502  109.993 7.6764  -8.949150      10.28842 
1 1 1 -11 -10 46 o 160.198 5.9890  3160.79    232.795  3101.63    309.440  3237.94    353.357  157.513 8.1241  160.335 9.1205  -2.821854      12.21415 
1 1 1 -11 -10 47 o 108.788 5.1034  1452.75    134.711  1343.04    174.524  1614.46    211.884  103.862 6.9656  113.587 7.7339  -9.725739      10.40830 
1 1 1 -11 -10 48 o 96.033  4.0082  1127.37    93.398   1077.78    132.038  1177.04    132.131  93.322  5.8609  97.621  5.6017  -4.299568      8.107331 
1 1 1 -11 -10 49 o 75.634  3.9927  701.428    73.014   723.222    101.357  677.919    105.269  76.447  5.5010  73.885  5.9217  2.561676       8.082548 
1 1 1 -11 -10 50 o 136.033 4.2541  2266.62    140.417  2291.84    199.424  2241.82    197.746  136.133 6.0374  134.632 6.0533  1.500519       8.549469 
1 1 1 -11 -10 51 f 9.8801  4.9117  -112.5382  45.864   -136.9680  102.911  -106.4836  51.233   17.536  8.4088  11.030  5.4296  6.506016       10.00936 
1 1 1 -11 -10 52 o 36.875  10.531  181.554    98.901   60.665     193.913  224.057    114.980  33.371  14.053  40.691  11.263  -7.319939      18.00938 
1 1 1 -11 -10 53 o 46.986  5.1568  275.871    57.825   272.334    74.321   281.297    92.049   46.184  6.8389  46.372  8.4939  -0.1879387     10.90489 
1 1 1 -11 -10 54 o 25.715  7.1523  85.895     46.250   58.838     56.514   140.770    80.483   22.807  8.1154  32.556  9.5601  -9.748758      12.54014 
1 1 1 -11 -10 55 f 25.797  8.1040  85.090     56.518   85.090     56.518   0.0000     0.0000   25.797  8.1040  ?       ?       0.000000       8.103952 
1 1 1 -11 -10 56 o 23.185  7.7073  66.256     50.681   66.256     50.681   0.0000     0.0000   23.185  7.7073  ?       ?       0.000000       7.707290 
1 1 1 -11 -10 57 o 39.020  5.2138  192.497    48.129   193.154    60.703   191.386    78.975   38.597  6.7263  37.689  8.7964  0.9085007      11.07337 
1 1 1 -11 -10 58 o 43.122  5.1835  234.429    53.150   238.566    67.252   227.546    86.744   43.001  6.6610  41.075  8.9560  1.926262       11.16148 
1 1 1 -11 -10 59 o 25.794  7.4314  87.133     49.048   83.581     55.360   100.097    105.768  25.479  8.0232  29.445  11.004  -3.965935      13.61812 
1 1 1 -11 -10 60 o 50.082  5.5625  316.663    66.453   312.581    76.132   329.726    136.185  49.406  6.5092  48.231  11.746  1.174831       13.42908 
1 1 1 -11 -10 61 o 49.996  5.0042  313.529    59.892   235.749    78.541   421.595    92.578   42.210  7.9605  57.328  6.7873  -15.11718      10.46119 
1 1 1 -11 -10 62 o 36.445  5.7001  170.170    48.755   142.107    59.564   227.145    84.871   32.634  7.6546  40.975  8.7991  -8.341450      11.66266 
1 1 1 -11 -9  1  o 147.805 5.5022  2653.79    197.328  2798.78    286.509  2522.96    272.170  151.489 7.8213  143.809 7.8294  7.679947       11.06675 
1 1 1 -11 -9  2  o 235.353 7.3035  6733.96    417.076  7577.28    596.479  5927.19    583.408  249.445 9.8550  220.526 10.903  28.91861       14.69686 
1 1 1 -11 -9  3  o 215.523 6.8666  5644.96    359.085  6157.23    513.269  5153.87    502.548  224.923 9.4048  205.734 10.067  19.18846       13.77669 
1 1 1 -11 -9  4  o 235.446 7.3193  6737.71    418.142  0.0000     0.0000   6737.71    418.142  ?       ?       235.446 7.3193  0.000000       7.319275 
1 1 1 -11 -9  5  o 448.683 12.694  24552.67   1382.00  0.0000     0.0000   24552.67   1382.00  ?       ?       448.683 12.694  0.000000       12.69414 
1 1 1 -11 -9  6  o 233.397 7.2964  6619.99    413.210  0.0000     0.0000   6619.99    413.210  ?       ?       233.397 7.2964  0.000000       7.296434 
1 1 1 -11 -9  7  f 143.469 3.7643  2498.29    131.042  2717.69    187.442  2288.54    183.273  149.608 5.1635  137.281 5.5021  12.32715       7.545522 
1 1 1 -11 -9  8  o 161.056 4.0530  3148.51    158.386  3117.21    225.898  3178.77    222.133  160.211 5.8111  161.790 5.6585  -1.578644      8.110885 
1 1 1 -11 -9  9  o 710.016 13.871  61515.32   2389.66  61350.32   3381.96  61679.84   3377.03  706.987 19.715  708.917 19.633  -1.930359      27.82285 
1 1 1 -11 -9  10 o ?       ?       -101.6568  12.185   -235.9194  42.319   -89.5199   12.724   ?       ?       ?       ?       0.000000       ?        
1 1 1 -11 -9  11 o 716.046 19.985  62953.02   3472.20  62558.21   4928.40  63342.11   4892.66  709.367 28.633  714.033 28.240  -4.665710      40.21632 
1 1 1 -11 -9  12 o 154.832 5.7623  2911.37    216.484  3226.99    323.045  2654.08    291.663  162.719 8.2085  147.531 8.1797  15.18738       11.58821 
1 1 1 -11 -9  13 o 129.462 3.6372  2034.22    114.254  2112.75    162.764  1957.95    160.420  131.912 5.0853  126.985 5.2065  4.926941       7.277856 
1 1 1 -11 -9  14 o 227.874 5.1834  6305.14    286.601  6378.50    406.620  6232.72    404.022  229.100 7.3148  226.464 7.3526  2.635101       10.37143 
1 1 1 -11 -9  15 o 454.143 9.1102  25089.89   1003.89  25579.24   1421.12  24602.47   1418.31  457.947 12.789  449.076 13.016  8.871521       18.24814 
1 1 1 -11 -9  16 o 230.238 5.2719  6437.27    294.517  6764.31    417.668  6113.83    415.362  235.911 7.2966  224.262 7.6332  11.64900       10.55963 
1 1 1 -11 -9  17 o 210.996 4.8650  5405.74    249.072  5356.76    353.026  5454.28    351.460  209.946 6.9300  211.853 6.8372  -1.907257      9.735125 
1 1 1 -11 -9  18 o 218.668 4.9329  5806.49    261.728  5555.49    370.767  6055.81    369.515  213.778 7.1478  223.217 6.8225  -9.438583      9.881174 
1 1 1 -11 -9  19 o 155.753 4.1561  2945.29    157.068  3083.54    222.611  2808.24    221.646  159.313 5.7588  152.025 6.0087  7.287521       8.322756 
1 1 1 -11 -9  20 o 259.085 5.7273  8156.37    360.041  8160.33    510.202  8152.45    508.155  258.943 8.1203  258.821 8.0916  0.1221924      11.46354 
1 1 1 -11 -9  21 o 79.472  3.5565  766.756    68.581   817.370    97.321   716.827    96.660   81.880  4.9213  76.633  5.2296  5.247185       7.181074 
1 1 1 -11 -9  22 o 137.370 3.8961  2291.49    129.864  2325.17    184.656  2258.52    182.671  138.313 5.5022  136.315 5.5228  1.997726       7.795908 
1 1 1 -11 -9  23 o 77.027  3.4705  720.412    64.864   678.394    91.540   762.784    91.924   74.539  5.0918  79.084  4.8133  -4.545273      7.006755 
1 1 1 -11 -9  24 o 109.431 3.6398  1454.32    96.646   1451.08    137.060  1457.52    136.298  109.253 5.1703  109.496 5.1301  -0.2437134     7.283550 
1 1 1 -11 -9  25 o 110.005 5.0772  1471.32    135.520  1608.97    180.332  1292.71    205.418  114.773 6.5021  102.591 8.3239  12.18221       10.56241 
1 1 1 -11 -9  26 o 232.932 7.5647  6616.82    427.551  7229.87    589.115  5934.57    621.480  243.016 9.9908  219.504 11.711  23.51178       15.39361 
1 1 1 -11 -9  27 o 145.371 5.5940  2571.37    197.316  2543.07    264.905  2606.63    295.728  144.194 7.5983  145.861 8.3912  -1.667465      11.32012 
1 1 1 -11 -9  28 o 190.439 4.6382  4408.72    214.326  4629.17    304.990  4193.65    301.249  194.961 6.4472  185.536 6.6917  9.425369       9.292195 
1 1 1 -11 -9  29 o 78.308  3.5521  744.811    67.492   760.016    95.595   729.698    95.302   78.899  5.0195  77.294  5.1104  1.605408       7.163191 
1 1 1 -11 -9  30 o 232.832 5.3197  6593.97    300.535  6564.55    427.156  6622.80    422.916  232.002 7.5881  233.046 7.4791  -1.044495      10.65437 
1 1 1 -11 -9  31 o 130.958 3.9880  2083.73    126.722  1944.77    178.162  2226.01    180.280  126.412 5.8085  135.266 5.4928  -8.854050      7.994315 
1 1 1 -11 -9  32 o 217.569 5.1866  5757.42    273.809  5854.98    388.949  5661.56    385.521  219.130 7.3152  215.471 7.3739  3.658539       10.38682 
1 1 1 -11 -9  33 o 142.008 6.1487  2455.56    211.866  2279.73    320.026  2592.75    282.685  136.113 9.7546  145.515 8.0375  -9.401810      12.63935 
1 1 1 -11 -9  34 o 84.580  6.1412  875.748    125.174  783.602    188.202  948.848    167.626  79.361  9.9953  87.803  7.9544  -8.441826      12.77412 
1 1 1 -11 -9  35 f 142.988 6.2437  2490.83    216.624  2221.21    333.590  2687.42    284.855  134.162 10.327  148.124 7.9548  -13.96127      13.03543 
1 1 1 -11 -9  36 o 43.253  4.8211  230.382    49.737   265.421    65.155   181.453    76.995   46.305  5.9356  37.772  8.5944  8.533596       10.44490 
1 1 1 -11 -9  37 o 40.693  4.9678  204.497    48.032   228.238    62.336   169.804    75.354   42.836  6.1760  36.515  8.6398  6.320621       10.62018 
1 1 1 -11 -9  38 o 157.911 4.4237  3033.78    169.499  2921.40    240.673  3144.39    238.753  154.719 6.4109  160.557 6.1285  -5.836960      8.868966 
1 1 1 -11 -9  39 o 41.378  4.8899  211.425    48.145   304.116    62.703   78.285     75.149   49.674  5.2834  26.756  9.3734  22.91805       10.75988 
1 1 1 -11 -9  40 o 113.207 3.8439  1559.40    105.588  1562.19    150.533  1556.69    148.145  113.138 5.4835  112.948 5.4056  0.1898956      7.699991 
1 1 1 -11 -9  41 o 122.520 3.8802  1827.55    115.353  1791.37    164.275  1862.74    162.017  121.073 5.5919  123.490 5.4071  -2.417412      7.778547 
1 1 1 -11 -9  42 f 91.182  3.7562  1012.54    83.105   967.357    117.838  1057.26    117.221  88.764  5.4982  92.864  5.2235  -4.099808      7.583894 
1 1 1 -11 -9  43 o 79.526  3.7306  770.615    71.985   798.595    102.675  743.566    100.952  80.614  5.2783  77.754  5.3840  2.859169       7.539803 
1 1 1 -11 -9  44 o 122.848 3.9872  1841.21    118.849  1856.31    170.382  1826.91    165.864  122.989 5.7094  122.037 5.6014  0.9519119      7.998322 
1 1 1 -11 -9  45 o 54.961  5.1681  373.489    68.111   437.618    84.317   253.049    115.550  59.366  5.9329  43.824  10.909  15.54240       12.41820 
1 1 1 -11 -9  46 o 87.831  4.9551  948.634    105.168  903.630    133.624  1021.89    170.478  85.300  6.5052  90.277  7.8611  -4.976578      10.20367 
1 1 1 -11 -9  47 o 37.193  6.1789  175.044    53.805   136.572    65.682   253.529    93.813   32.437  8.3084  44.156  9.0598  -11.71909      12.29267 
1 1 1 -11 -9  48 o 150.444 4.4765  2772.03    163.411  2882.24    234.860  2668.61    227.512  152.684 6.3394  146.898 6.3830  5.786438       8.996177 
1 1 1 -11 -9  49 o 92.387  4.1058  1044.25    92.038   992.055    129.473  1097.58    130.861  89.434  6.0012  94.170  5.7547  -4.736259      8.314529 
1 1 1 -11 -9  50 o 61.602  4.6002  468.117    68.264   393.984    94.993   547.287    98.166   55.799  7.1830  66.218  6.1812  -10.41967      9.476411 
1 1 1 -11 -9  51 o 125.321 6.8010  1962.18    206.032  1743.89    364.051  2065.04    249.904  113.470 13.487  127.809 8.1002  -14.33949      15.73234 
1 1 1 -11 -9  52 o 24.357  9.6885  45.917     85.775   207.061    195.705  7.6012     95.430   40.694  15.015  22.795  9.7387  17.89992       17.89683 
1 1 1 -11 -9  53 o 24.352  7.1334  76.062     44.859   69.458     53.482   91.734     82.386   23.861  7.9167  27.842  9.8100  -3.981058      12.60602 
1 1 1 -11 -9  54 o 16.454  6.1613  25.980     33.194   56.570     43.608   -16.1597   51.183   21.587  7.1480  15.355  6.8308  6.231970       9.887072 
1 1 1 -11 -9  55 o 13.221  6.0205  -24.5500   42.505   -24.5500   42.505   0.0000     0.0000   13.221  6.0205  ?       ?       0.000000       6.020481 
1 1 1 -11 -9  56 o 31.407  5.8195  126.921    42.715   122.527    57.019   132.541    64.483   30.401  7.7166  31.511  8.3133  -1.110607      11.34270 
1 1 1 -11 -9  57 o 34.139  5.9942  150.004    47.841   147.040    60.533   154.937    78.085   33.300  7.6524  33.820  9.2491  -0.5202789     12.00439 
1 1 1 -11 -9  58 o 62.438  4.4981  484.366    67.689   486.267    88.457   481.679    105.146  62.022  5.9509  61.157  7.2253  0.8653603      9.360454 
1 1 1 -11 -9  59 o 13.586  6.0435  -12.8108   40.059   -23.3084   44.074   37.067     96.070   13.573  6.1614  24.336  10.042  -10.76357      11.78128 
1 1 1 -11 -9  60 o 11.690  5.3765  -24.7472   35.036   -27.2971   37.729   -8.7789    94.416   12.072  5.5625  21.454  9.4215  -9.381419      10.94105 
1 1 1 -11 -9  61 o 49.523  5.2698  308.840    62.351   236.393    81.731   409.707    96.438   42.120  8.2923  56.291  7.2276  -14.17097      11.00005 
1 1 1 -11 -9  62 o 36.267  9.7229  181.875    87.309   0.0000     0.0000   181.875    87.309   ?       ?       36.267  9.7229  0.000000       9.722932 
1 1 1 -11 -8  1  o 351.958 10.175  15086.15   868.945  15954.33   1235.60  14236.62   1222.26  361.310 14.094  341.184 14.764  20.12527       20.41132 
1 1 1 -11 -8  2  o 261.482 7.9127  8313.05    502.031  9374.78    714.982  7280.52    705.082  277.438 10.621  244.372 11.891  33.06551       15.94378 
1 1 1 -11 -8  3  o 177.624 8.5391  3836.85    368.028  0.0000     0.0000   3836.85    368.028  ?       ?       177.624 8.5391  0.000000       8.539148 
1 1 1 -11 -8  4  o 288.480 8.6269  10119.88   603.857  0.0000     0.0000   10119.88   603.857  ?       ?       288.480 8.6269  0.000000       8.626910 
1 1 1 -11 -8  5  o 298.698 8.8820  10850.15   643.737  0.0000     0.0000   10850.15   643.737  ?       ?       298.698 8.8820  0.000000       8.882035 
1 1 1 -11 -8  6  o 291.476 6.1644  10318.71   435.973  10352.54   619.300  10285.47   613.855  291.787 8.7472  290.844 8.6984  0.9430237      12.33600 
1 1 1 -11 -8  7  o 369.896 7.4634  16626.28   669.852  16722.78   949.741  16530.75   944.906  370.669 10.560  368.534 10.567  2.135223       14.93881 
1 1 1 -11 -8  8  o 913.052 20.603  102371.00  4564.48  99461.40   7895.22  103831.80  5594.11  888.524 36.621  916.848 25.146  -28.32458      44.42327 
1 1 1 -11 -8  9  o 341.022 7.0662  14129.17   584.695  14070.38   828.776  14187.43   825.005  340.065 10.044  341.485 9.9568  -1.419922      14.14291 
1 1 1 -11 -8  10 o 334.039 9.9874  13575.72   809.495  12909.23   1162.91  14202.24   1127.51  325.194 14.738  341.245 13.617  -16.05109      20.06586 
1 1 1 -11 -8  11 o 898.267 25.331  99692.49   5521.12  94836.48   7826.82  104502.20  7789.41  867.104 37.201  912.044 35.199  -44.94031      51.21349 
1 1 1 -11 -8  12 o 368.891 10.649  16563.66   953.141  17284.29   1366.42  15880.73   1330.20  376.229 14.968  360.593 15.203  15.63596       21.33503 
1 1 1 -11 -8  13 o 277.049 5.9121  9321.73    397.430  9117.30    563.207  9524.48    560.900  273.845 8.4762  279.909 8.2586  -6.063263      11.83424 
1 1 1 -11 -8  14 o 295.073 6.3087  10575.93   451.687  10514.20   639.849  10637.25   637.719  294.030 8.9685  295.752 8.8866  -1.722076      12.62564 
1 1 1 -11 -8  15 o 292.407 6.2480  10385.84   443.292  10306.68   627.980  10464.46   625.846  291.108 8.8905  293.336 8.7930  -2.227814      12.50433 
1 1 1 -11 -8  16 o 183.842 4.4804  4103.06    199.861  4353.16    283.509  3855.99    281.792  189.306 6.1722  178.155 6.5188  11.15076       8.977202 
1 1 1 -11 -8  17 o 243.242 5.3375  7185.26    315.020  7207.87    446.284  7162.80    444.730  243.504 7.5534  242.742 7.5507  0.7623901      10.68020 
1 1 1 -11 -8  18 o 370.829 7.5978  16719.13   683.638  16128.01   967.827  17307.77   965.797  363.793 10.964  376.925 10.560  -13.13165      15.22269 
1 1 1 -11 -8  19 o 382.707 7.8103  17813.54   725.269  18032.23   1026.89  17595.88   1024.48  384.576 11.005  379.876 11.115  4.700470       15.64100 
1 1 1 -11 -8  20 o 262.763 5.7136  8389.03    364.281  8354.05    515.998  8423.79    514.346  262.014 8.1163  263.112 8.0566  -1.097107      11.43606 
1 1 1 -11 -8  21 o 226.676 5.2502  6242.68    288.765  6098.85    409.436  6385.02    407.322  223.880 7.5372  229.090 7.3277  -5.210602      10.51209 
1 1 1 -11 -8  22 o 151.825 4.1772  2799.44    153.884  2673.83    218.120  2923.92    217.134  148.295 6.0618  155.091 5.7700  -6.795898      8.368926 
1 1 1 -11 -8  23 o 171.818 4.3639  3586.18    181.931  3397.92    258.199  3771.80    256.389  167.126 6.3672  176.108 6.0001  -8.981949      8.748835 
1 1 1 -11 -8  24 o 65.724  3.6965  526.273    58.710   504.638    82.751   548.200    83.308   64.202  5.3611  66.954  5.1680  -2.752151      7.446434 
1 1 1 -11 -8  25 o 150.477 5.7670  2754.80    210.563  2884.22    283.723  2596.11    314.161  153.812 7.6022  145.525 8.9405  8.287796       11.73563 
1 1 1 -11 -8  26 o 163.990 5.9255  3272.99    235.780  3116.25    318.303  3463.56    350.972  159.569 8.2493  168.182 8.6296  -8.613068      11.93822 
1 1 1 -11 -8  27 o 101.693 5.0730  1257.63    125.174  1401.93    164.214  1057.49    193.389  107.111 6.3468  92.636  8.7059  14.47456       10.77374 
1 1 1 -11 -8  28 o 76.677  3.5813  714.126    66.629   666.736    94.360   761.251    94.097   73.849  5.3013  78.972  4.9354  -5.122948      7.243061 
1 1 1 -11 -8  29 o 195.804 4.8451  4661.25    230.189  4868.49    327.325  4458.48    323.777  199.909 6.7481  191.279 6.9761  8.630173       9.705839 
1 1 1 -11 -8  30 o 88.036  3.6086  941.396    77.085   986.958    109.486  896.611    108.550  89.951  5.0366  85.701  5.2454  4.250259       7.271937 
1 1 1 -11 -8  31 o 112.069 3.8989  1525.84    106.020  1430.94    147.899  1626.16    152.058  108.298 5.6479  115.619 5.4202  -7.320465      7.827975 
1 1 1 -11 -8  32 o 123.051 3.9239  1839.62    117.156  1744.55    165.133  1935.98    166.240  119.734 5.6840  126.149 5.4311  -6.414856      7.861605 
1 1 1 -11 -8  33 o 107.401 6.0705  1408.85    157.548  870.195    242.283  1803.49    207.380  83.211  12.377  121.427 7.0692  -38.21619      14.25334 
1 1 1 -11 -8  34 o 128.503 5.8685  2010.36    182.980  2230.87    282.041  1850.08    240.452  134.820 8.6677  122.818 8.1144  12.00191       11.87316 
1 1 1 -11 -8  35 o 282.931 9.0521  9797.24    621.434  9279.68    912.857  10244.25   848.365  273.453 13.803  288.315 12.127  -14.86179      18.37319 
1 1 1 -11 -8  36 o 148.941 4.2130  2696.86    152.253  2588.75    216.003  2803.60    214.640  145.759 6.1075  151.716 5.8306  -5.957291      8.443765 
1 1 1 -11 -8  37 o 284.347 6.2013  9858.00    427.852  9677.76    609.060  10033.59   601.164  280.987 8.9333  286.195 8.6570  -5.208191      12.43970 
1 1 1 -11 -8  38 o 308.600 6.5222  11626.55   488.380  11407.62   694.929  11840.21   686.495  304.656 9.4008  310.500 9.1119  -5.843933      13.09209 
1 1 1 -11 -8  39 o 224.835 5.3425  6163.35    291.458  6232.16    415.924  6096.97    408.544  225.516 7.6010  223.072 7.5480  2.443954       10.71203 
1 1 1 -11 -8  40 o 107.854 3.7726  1415.37    98.727   1294.35    140.357  1533.88    138.898  102.802 5.6486  112.143 5.1046  -9.340584      7.613355 
1 1 1 -11 -8  41 o 252.791 5.6751  7813.02    348.097  7572.04    496.646  8045.72    488.034  247.796 8.2602  255.621 7.8685  -7.824722      11.40802 
1 1 1 -11 -8  42 o 54.889  4.0139  369.108    53.088   423.397    74.352   312.645    75.826   58.614  5.2848  50.089  6.3842  8.525112       8.287706 
1 1 1 -11 -8  43 o 92.539  3.7430  1043.59    84.044   1026.43    120.060  1060.09    117.687  91.390  5.4388  92.923  5.2410  -1.533493      7.553082 
1 1 1 -11 -8  44 o 86.274  3.7676  907.659    78.870   895.588    112.044  919.514    111.041  85.294  5.4422  86.458  5.3189  -1.163879      7.609787 
1 1 1 -11 -8  45 o 58.320  5.1436  420.129    72.040   472.146    88.950   320.964    122.816  61.657  6.0226  49.487  10.551  12.16978       12.14844 
1 1 1 -11 -8  46 o 93.285  5.0808  1070.59    114.570  1104.53    145.783  1015.78    185.279  94.376  6.4041  89.699  8.6189  4.677376       10.73772 
1 1 1 -11 -8  47 o 133.758 4.2158  2188.21    136.824  2198.71    196.605  2178.35    190.534  133.503 6.0693  132.942 5.9067  0.5614014      8.469108 
1 1 1 -11 -8  48 o 131.181 4.3331  2106.46    137.923  2043.56    199.628  2163.90    190.778  128.534 6.4009  132.442 5.9366  -3.908020      8.730083 
1 1 1 -11 -8  49 o 67.638  4.5586  563.334    74.378   538.784    103.284  589.779    107.198  65.620  6.5754  68.702  6.5082  -3.082809      9.251616 
1 1 1 -11 -8  50 o 28.247  7.3544  103.300    50.899   127.604    70.099   76.197     74.026   31.319  8.8389  26.058  9.2864  5.260220       12.82040 
1 1 1 -11 -8  51 o 77.855  7.0695  762.926    132.092  708.891    267.291  780.387    151.942  70.142  16.052  78.308  8.1144  -8.165985      17.98672 
1 1 1 -11 -8  52 o 82.713  7.1920  864.076    142.905  691.555    280.188  924.733    166.138  68.098  17.008  85.126  8.1428  -17.02787      18.85644 
1 1 1 -11 -8  53 o 39.450  5.4323  196.204    50.620   244.477    74.126   154.019    69.294   43.544  7.2723  34.118  8.4215  9.426331       11.12689 
1 1 1 -11 -8  54 o 39.732  6.6087  202.829    61.473   202.829    61.473   0.0000     0.0000   39.732  6.6087  ?       ?       0.000000       6.608716 
1 1 1 -11 -8  55 o 45.584  6.4226  265.517    69.068   265.517    69.068   0.0000     0.0000   45.584  6.4226  ?       ?       0.000000       6.422597 
1 1 1 -11 -8  56 o 90.813  4.0711  1015.64    89.707   978.119    129.061  1050.71    124.778  88.134  6.0722  91.585  5.6425  -3.450890      8.289074 
1 1 1 -11 -8  57 o 18.543  6.7259  36.966     39.026   52.424     45.068   -9.3730    78.031   21.065  7.2657  19.531  8.5713  1.534363       11.23640 
1 1 1 -11 -8  58 o 33.612  6.2357  146.115    48.983   202.140    60.549   40.009     83.328   39.575  6.5336  23.373  9.4618  16.20185       11.49840 
1 1 1 -11 -8  59 o 30.058  7.3306  119.366    52.985   88.467     59.941   229.789    113.315  26.236  8.3580  40.526  11.166  -14.29001      13.94785 
1 1 1 -11 -8  60 o 40.919  6.2344  214.813    59.943   208.217    68.707   235.832    122.650  39.867  7.3744  40.822  11.749  -0.9552879     13.87144 
1 1 1 -11 -8  61 o 41.841  9.1299  237.516    90.084   0.0000     0.0000   237.516    90.084   ?       ?       41.841  9.1299  0.000000       9.129922 
1 1 1 -11 -8  62 o 36.890  9.2529  187.132    82.679   0.0000     0.0000   187.132    82.679   ?       ?       36.890  9.2529  0.000000       9.252874 
1 1 1 -11 -7  1  o 280.160 8.4043  9545.02    571.308  10178.38   812.066  8924.34    803.899  288.997 11.581  270.537 12.246  18.46002       16.85489 
1 1 1 -11 -7  2  o 334.973 13.885  13696.17   1128.51  0.0000     0.0000   13696.17   1128.51  ?       ?       334.973 13.885  0.000000       13.88459 
1 1 1 -11 -7  3  f 219.304 9.9539  5852.34    529.668  0.0000     0.0000   5852.34    529.668  ?       ?       219.304 9.9539  0.000000       9.953900 
1 1 1 -11 -7  4  o 415.726 11.854  21053.80   1195.75  0.0000     0.0000   21053.80   1195.75  ?       ?       415.726 11.854  0.000000       11.85410 
1 1 1 -11 -7  5  o 361.851 7.3170  15909.48   642.429  16759.35   911.940  15072.20   905.161  371.132 10.127  351.907 10.601  19.22525       14.66041 
1 1 1 -11 -7  6  o 326.182 6.7069  12924.11   530.816  12808.85   753.598  13037.62   747.809  324.513 9.5707  327.412 9.4131  -2.898804      13.42401 
1 1 1 -11 -7  7  o 490.366 9.7128  29248.51   1155.66  29011.13   1636.96  29484.38   1631.73  487.721 13.833  491.712 13.676  -3.990875      19.45216 
1 1 1 -11 -7  8  o 537.007 10.664  35094.96   1389.54  34991.98   1967.31  35197.47   1962.92  535.374 15.144  536.961 15.066  -1.586975      21.36199 
1 1 1 -11 -7  9  o 119.342 4.1304  1728.71    119.605  1791.27    148.511  1613.24    201.769  121.468 5.0388  115.003 7.2681  6.465836       8.843959 
1 1 1 -11 -7  10 o 547.680 15.360  36625.78   2041.21  36994.68   2907.02  36267.00   2866.82  548.636 21.837  543.241 21.749  5.394348       30.82045 
1 1 1 -11 -7  11 o 492.772 13.715  29612.55   1639.81  31521.12   2339.22  27768.45   2299.37  507.199 19.008  475.821 19.916  31.37796       27.53059 
1 1 1 -11 -7  12 o 328.225 9.5751  13103.54   762.565  14105.63   1098.14  12170.31   1059.74  340.139 13.306  315.883 13.826  24.25650       19.18884 
1 1 1 -11 -7  13 o 351.361 7.0783  14998.90   603.457  15466.83   854.713  14533.80   852.128  356.558 9.8793  345.609 10.161  10.94977       14.17235 
1 1 1 -11 -7  14 o 416.609 8.4645  21100.93   855.649  20763.03   1211.39  21437.36   1208.75  412.810 12.094  419.492 11.875  -6.682037      16.94968 
1 1 1 -11 -7  15 o 212.209 4.8231  5467.26    248.343  5491.58    352.185  5443.21    350.243  212.605 6.8270  211.667 6.8195  0.9382019      9.649551 
1 1 1 -11 -7  16 o 343.139 7.1485  14308.03   595.183  14045.81   842.919  14568.76   840.519  339.693 10.227  345.982 10.012  -6.289703      14.31187 
1 1 1 -11 -7  17 o 271.442 5.9150  8949.53    389.579  8798.97    551.989  9098.96    549.914  268.983 8.4575  273.543 8.2852  -4.560211      11.83952 
1 1 1 -11 -7  18 o 277.206 6.0789  9335.09    408.877  9508.95    579.447  9162.67    577.039  279.593 8.5413  274.444 8.6654  5.148682       12.16725 
1 1 1 -11 -7  19 o 99.357  3.5381  1198.26    85.298   1120.36    120.908  1275.45    120.352  95.904  5.2155  102.485 4.8398  -6.581635      7.115115 
1 1 1 -11 -7  20 o 497.348 9.9951  30144.29   1206.18  29789.89   1707.39  30497.36   1704.20  493.272 14.265  499.156 14.071  -5.884308      20.03719 
1 1 1 -11 -7  21 o 367.833 7.6414  16464.06   682.004  15692.49   966.005  17230.84   963.000  358.515 11.105  375.790 10.561  -17.27496      15.32502 
1 1 1 -11 -7  22 o 439.339 8.8696  23525.37   945.508  23409.80   1338.95  23640.31   1335.35  437.228 12.621  439.406 12.525  -2.178375      17.78079 
1 1 1 -11 -7  23 o 210.570 4.9312  5388.16    251.949  5348.38    357.867  5427.27    354.774  209.614 7.0362  211.165 6.9241  -1.551392      9.871753 
1 1 1 -11 -7  24 o 273.567 6.0239  9104.59    399.858  9144.92    567.373  9064.78    563.615  273.791 8.5406  272.592 8.5213  1.198883       12.06455 
1 1 1 -11 -7  25 o 141.269 5.5994  2427.59    191.935  2435.70    256.597  2417.30    289.192  141.158 7.5188  140.472 8.5249  0.6857910      11.36694 
1 1 1 -11 -7  26 o 229.743 7.3013  6434.30    407.012  6069.85    558.388  6847.43    594.513  222.608 10.338  236.432 10.363  -13.82353      14.63783 
1 1 1 -11 -7  27 o 174.055 6.2311  3688.60    263.157  3791.55    356.091  3564.72    390.622  176.221 8.3280  170.451 9.4823  5.770081       12.62021 
1 1 1 -11 -7  28 f 101.080 3.7738  1241.16    92.558   1263.90    131.738  1218.99    130.071  101.796 5.3524  99.963  5.3825  1.833076       7.590714 
1 1 1 -11 -7  29 o 152.370 4.1463  2821.02    153.292  2950.92    218.312  2694.68    215.294  155.725 5.7777  148.796 5.9632  6.929108       8.303071 
1 1 1 -11 -7  30 o 98.892  3.6691  1187.91    88.041   1177.06    125.800  1198.32    123.257  98.233  5.2975  99.134  5.1418  -0.9014130     7.382513 
1 1 1 -11 -7  31 o 53.983  4.2589  356.330    55.332   398.965    74.027   302.358    83.291   57.014  5.4161  49.298  7.1734  7.715797       8.988489 
1 1 1 -11 -7  32 f 207.012 4.8932  5210.70    245.781  5398.63    349.540  5026.91    345.667  210.487 6.8440  203.089 7.0147  7.398178       9.800295 
1 1 1 -11 -7  33 o 225.750 7.6870  6218.28    421.064  5797.52    628.870  6560.19    566.889  216.776 12.003  231.397 10.097  -14.62088      15.68467 
1 1 1 -11 -7  34 o 254.511 8.1033  7911.06    500.419  8364.31    742.797  7534.39    677.148  260.753 11.740  247.613 11.271  13.14003       16.27452 
1 1 1 -11 -7  35 o 274.261 8.5433  9197.93    568.528  9798.93    840.510  8691.04    771.903  281.897 12.288  265.590 11.978  16.30713       17.16024 
1 1 1 -11 -7  36 o 21.367  6.8513  54.281     40.227   50.180     53.438   59.644     61.111   22.019  7.8855  23.773  8.4411  -1.753925      11.55134 
1 1 1 -11 -7  37 o 87.609  3.7884  932.943    80.531   846.406    114.430  1017.86    113.354  83.153  5.7060  91.293  5.1381  -8.139702      7.678453 
1 1 1 -11 -7  38 o 110.228 4.2526  1478.14    113.739  1355.34    181.684  1557.28    145.857  105.045 7.1711  113.052 5.3172  -8.007919      8.927300 
1 1 1 -11 -7  39 o 134.221 4.0478  2192.08    131.825  1950.77    188.025  2425.36    184.873  126.376 6.1318  141.019 5.4029  -14.64323      8.172564 
1 1 1 -11 -7  40 o 32.944  5.2879  135.729    40.840   149.652    55.955   119.856    59.743   34.340  6.9538  30.659  7.9605  3.681778       10.57003 
1 1 1 -11 -7  41 o 210.324 5.0893  5401.58    259.725  5224.81    370.344  5572.67    364.342  206.114 7.4052  213.000 7.0496  -6.886169      10.22416 
1 1 1 -11 -7  42 o 88.802  3.7332  960.573    80.440   975.329    114.570  946.228    112.965  89.141  5.3213  87.795  5.3280  1.345581       7.530194 
1 1 1 -11 -7  43 o 84.628  3.7781  873.007    77.580   791.854    109.663  954.312    109.766  80.168  5.6742  88.157  5.1540  -7.988075      7.665556 
1 1 1 -11 -7  44 o 97.570  3.9508  1161.65    93.532   1117.07    132.006  1206.60    132.544  95.208  5.7411  99.015  5.5391  -3.806725      7.977591 
1 1 1 -11 -7  45 o 87.380  5.1039  939.249    107.741  989.036    136.695  857.587    175.066  89.344  6.3468  82.321  8.9065  7.023201       10.93657 
1 1 1 -11 -7  46 o 37.007  6.1479  173.177    53.268   167.969    63.641   185.364    97.348   36.132  7.5045  37.604  10.345  -1.472290      12.78033 
1 1 1 -11 -7  47 o 108.471 4.0626  1438.27    106.925  1383.19    152.191  1491.96    150.258  105.758 5.9550  109.952 5.6512  -4.194046      8.209655 
1 1 1 -11 -7  48 o 101.533 4.1668  1261.17    102.655  1323.63    146.300  1200.59    144.077  103.443 5.8528  98.433  6.0619  5.010239       8.426226 
1 1 1 -11 -7  49 o 81.317  4.3301  812.193    85.129   833.253    121.323  791.768    119.480  81.863  6.1529  79.767  6.2224  2.096306       8.750789 
1 1 1 -11 -7  50 o 70.546  7.5323  629.192    126.940  500.573    253.071  672.432    146.734  58.693  16.872  72.570  8.4938  -13.87770      18.88933 
1 1 1 -11 -7  51 o 27.327  10.385  74.134     95.101   329.141    212.351  10.155     106.364  48.331  15.763  24.113  10.291  24.21773       18.82467 
1 1 1 -11 -7  52 o 149.390 5.2093  2757.30    188.829  2693.40    238.591  2864.43    308.922  146.786 6.6989  149.800 8.5344  -3.014160      10.84951 
1 1 1 -11 -7  53 o 66.026  7.0568  553.871    111.302  553.871    111.302  0.0000     0.0000   66.026  7.0568  ?       ?       0.000000       7.056801 
1 1 1 -11 -7  54 o 43.010  8.2450  243.465    82.913   243.465    82.913   0.0000     0.0000   43.010  8.2450  ?       ?       0.000000       8.245048 
1 1 1 -11 -7  55 o 25.418  7.0722  84.307     45.211   81.217     64.194   87.348     63.686   25.646  8.6752  26.295  8.6349  -0.6490860     12.24013 
1 1 1 -11 -7  56 o 31.647  6.3762  130.125    47.270   130.990    56.829   128.184    85.161   31.455  7.5431  31.128  9.9672  0.3274632      12.49974 
1 1 1 -11 -7  57 o 48.197  5.2061  292.016    59.916   249.306    76.147   361.440    97.084   43.697  7.4490  52.621  7.8433  -8.923782      10.81692 
1 1 1 -11 -7  58 o 58.459  4.7515  425.877    66.815   359.683    88.155   515.235    102.425  52.847  7.0507  63.531  6.7477  -10.68389      9.759270 
1 1 1 -11 -7  59 o 20.819  7.2710  50.331     45.202   45.540     49.040   77.397     116.558  20.581  7.5281  28.553  11.314  -7.971888      13.58980 
1 1 1 -11 -7  60 o 18.390  7.2144  27.742     46.951   10.967     59.497   55.429     76.438   18.517  7.7902  23.948  9.2575  -5.430998      12.09915 
1 1 1 -11 -7  61 o 38.073  9.7636  199.989    90.628   0.0000     0.0000   199.989    90.628   ?       ?       38.073  9.7636  0.000000       9.763556 
1 1 1 -11 -6  1  o 168.619 8.3819  3456.96    342.938  0.0000     0.0000   3456.96    342.938  ?       ?       168.619 8.3819  0.000000       8.381937 
1 1 1 -11 -6  2  o 310.453 13.103  11752.40   987.012  0.0000     0.0000   11752.40   987.012  ?       ?       310.453 13.103  0.000000       13.10277 
1 1 1 -11 -6  3  o 400.061 11.485  19490.23   1114.89  0.0000     0.0000   19490.23   1114.89  ?       ?       400.061 11.485  0.000000       11.48530 
1 1 1 -11 -6  4  f 141.428 3.9053  2427.67    134.014  2607.92    191.626  2255.12    187.492  146.557 5.3887  136.278 5.6702  10.27887       7.822323 
1 1 1 -11 -6  5  o 374.134 7.7299  17009.57   701.721  16691.09   994.603  17325.21   990.178  370.300 11.070  377.297 10.816  -6.996918      15.47650 
1 1 1 -11 -6  6  o 599.574 11.774  43775.46   1712.92  43983.44   2424.85  43568.32   2420.04  599.885 16.659  597.036 16.705  2.849854       23.59235 
1 1 1 -11 -6  7  o 154.253 4.0795  2887.96    152.688  3272.91    217.249  2512.19    214.641  164.183 5.4534  143.827 6.1505  20.35594       8.219946 
1 1 1 -11 -6  8  o 388.565 9.1396  18357.79   861.696  18426.77   1480.99  18322.49   1059.50  388.459 15.712  387.971 11.255  0.4877625      19.32747 
1 1 1 -11 -6  9  o 383.133 11.037  17866.07   1026.07  18450.00   1472.75  17315.27   1430.35  388.719 15.615  376.570 15.654  12.14954       22.11039 
1 1 1 -11 -6  10 o 160.272 6.0176  3119.35    234.015  3016.01    350.148  3202.78    314.595  157.224 9.2187  162.341 7.9865  -5.117050      12.19713 
1 1 1 -11 -6  11 o 600.463 16.635  44067.41   2423.67  45680.79   3449.60  42494.60   3405.97  609.188 23.337  587.353 23.899  21.83490       33.40351 
1 1 1 -11 -6  12 o 379.069 11.347  17494.01   1043.68  15597.99   1497.45  19285.09   1455.42  357.117 17.281  397.469 15.091  -40.35162      22.94313 
1 1 1 -11 -6  13 o 138.568 3.9603  2330.50    133.156  2529.30    189.165  2135.26    187.467  144.330 5.4016  132.603 5.8265  11.72723       7.945118 
1 1 1 -11 -6  14 o 398.255 9.3462  19290.25   903.148  19819.82   1552.22  19019.21   1110.47  402.740 15.884  395.184 11.581  7.555634       19.65772 
1 1 1 -11 -6  15 o 307.968 7.5418  11525.93   563.565  12489.29   964.295  11026.19   694.522  320.119 12.415  301.068 9.5073  19.05118       15.63689 
1 1 1 -11 -6  16 o 184.151 4.6373  4116.91    207.208  4205.58    294.216  4029.65    291.870  186.063 6.5169  182.126 6.6047  3.936615       9.278586 
1 1 1 -11 -6  17 f 486.630 9.8017  28821.07   1157.35  28806.46   1638.33  28835.62   1635.16  485.728 13.901  485.982 13.867  -0.2534180     19.63474 
1 1 1 -11 -6  18 o 331.295 6.8948  13338.29   554.240  13487.65   785.297  13190.06   782.339  332.866 9.7230  329.165 9.7953  3.700897       13.80161 
1 1 1 -11 -6  19 o 379.072 7.7898  17475.00   716.493  17107.14   1014.87  17840.56   1011.69  374.589 11.166  382.578 10.898  -7.989868      15.60290 
1 1 1 -11 -6  20 o 257.990 5.5931  8086.27    350.124  7727.84    496.770  8440.06    493.546  252.012 8.1240  263.407 7.7221  -11.39465      11.20849 
1 1 1 -11 -6  21 o 268.459 5.9808  8759.67    389.587  8578.89    552.448  8938.51    549.482  265.418 8.5782  270.949 8.3580  -5.531799      11.97672 
1 1 1 -11 -6  22 o 170.363 4.3891  3525.16    181.432  3480.19    257.970  3569.17    255.219  169.172 6.2846  171.330 6.1392  -2.158218      8.785571 
1 1 1 -11 -6  23 o 196.377 4.8026  4685.90    228.840  4690.02    325.249  4681.86    322.033  196.307 6.8284  196.141 6.7665  0.1653137      9.613158 
1 1 1 -11 -6  24 o 42.876  5.4534  227.125    55.451   310.902    65.960   25.234     102.395  50.267  5.4976  25.320  10.398  24.94656       11.76173 
1 1 1 -11 -6  25 o 214.791 7.1648  5621.50    373.407  5952.03    510.676  5241.75    547.387  220.647 9.5386  206.528 10.962  14.11815       14.53137 
1 1 1 -11 -6  26 o 87.390  5.1212  931.881    108.118  1055.54    140.971  755.249    168.484  92.899  6.2910  78.100  9.0592  14.79971       11.02930 
1 1 1 -11 -6  27 o 183.534 6.4827  4102.37    288.692  4329.81    391.257  3830.56    427.720  188.285 8.5641  176.604 10.023  11.68076       13.18331 
1 1 1 -11 -6  28 o 60.767  3.7908  450.315    55.615   422.970    79.308   476.774    78.010   58.694  5.6382  62.398  5.1998  -3.704395      7.669885 
1 1 1 -11 -6  29 o 236.476 5.3328  6801.62    305.989  6762.66    435.125  6839.75    430.382  235.488 7.6152  236.846 7.4890  -1.358475      10.68067 
1 1 1 -11 -6  30 o 198.996 4.9320  4814.70    238.140  4872.73    338.960  4758.14    334.644  199.972 6.9858  197.608 6.9793  2.364456       9.874842 
1 1 1 -11 -6  31 o 123.880 3.9674  1864.49    119.254  1800.69    169.907  1926.44    167.421  121.646 5.7564  125.839 5.4831  -4.193367      7.949903 
1 1 1 -11 -6  32 o 48.018  5.7792  284.624    65.983   295.861    138.693  281.336    75.016   48.126  11.935  47.597  6.6793  0.5283661      13.67731 
1 1 1 -11 -6  33 o 183.487 6.6681  4102.21    296.875  4233.44    450.878  4001.77    394.447  185.628 10.048  180.909 8.9859  4.719299       13.47980 
1 1 1 -11 -6  34 o 62.590  6.1353  481.629    91.977   616.106    151.857  403.713    115.591  70.394  9.1040  56.835  8.6552  13.55834       12.56170 
1 1 1 -11 -6  35 o 56.338  4.6960  388.671    63.610   429.219    78.391   310.505    108.841  59.125  5.5285  49.551  9.3964  9.573532       10.90214 
1 1 1 -11 -6  36 o 209.270 4.9797  5329.09    252.855  5531.54    360.452  5132.94    354.797  212.900 6.9776  205.059 7.1308  7.840836       9.976734 
1 1 1 -11 -6  37 o 223.343 5.9551  6081.14    322.718  6079.18    540.877  6082.22    402.142  222.322 10.027  223.062 7.4300  -0.7404022     12.47946 
1 1 1 -11 -6  38 o 82.330  3.7338  824.167    74.588   794.698    106.115  852.944    104.863  80.560  5.4609  83.508  5.2011  -2.948082      7.541421 
1 1 1 -11 -6  39 o 77.775  3.8193  735.881    72.075   776.641    102.110  695.409    101.750  79.622  5.3159  75.281  5.6107  4.341446       7.729064 
1 1 1 -11 -6  40 o 127.370 4.1491  1975.76    128.228  1962.08    181.538  1989.38    181.146  126.679 5.9061  127.566 5.8523  -0.8870468     8.314549 
1 1 1 -11 -6  41 o 53.540  4.4931  352.030    57.830   373.564    79.792   328.203    83.932   54.897  6.0931  51.245  6.9278  3.652130       9.226086 
1 1 1 -11 -6  42 o 20.909  6.8035  52.004     39.569   39.125     49.873   73.886     65.006   20.299  7.5619  25.434  8.7287  -5.135098      11.54870 
1 1 1 -11 -6  43 o 76.028  4.0306  707.119    74.088   734.921    104.034  678.508    105.536  77.223  5.5900  74.113  5.9181  3.110222       8.140732 
1 1 1 -11 -6  44 o 141.854 5.7306  2471.91    197.246  2463.31    258.273  2483.94    305.543  140.760 7.5900  140.667 8.9991  0.9327698E-01  11.77252 
1 1 1 -11 -6  45 o 101.766 5.0792  1269.95    125.420  1130.09    159.372  1497.47    203.274  95.325  6.9379  109.505 7.6994  -14.17966      10.36410 
1 1 1 -11 -6  46 o 42.172  5.8022  222.888    57.800   211.691    69.155   248.838    105.275  40.726  7.2646  43.486  10.160  -2.760052      12.49031 
1 1 1 -11 -6  47 o 35.777  6.8914  163.756    57.654   71.718     80.511   260.634    82.601   26.216  9.6373  45.118  7.8291  -18.90179      12.41660 
1 1 1 -11 -6  48 o 111.313 4.2789  1516.71    115.569  1525.79    165.018  1507.96    161.904  110.960 6.1532  110.339 6.0707  0.6212845      8.643836 
1 1 1 -11 -6  49 o 74.393  4.3667  680.408    78.477   642.298    109.797  720.212    112.210  71.735  6.3745  76.069  6.1314  -4.333710      8.844682 
1 1 1 -11 -6  50 o 71.016  7.4941  637.768    127.184  1045.85    255.229  502.960    146.695  88.535  12.205  61.938  10.110  26.59673       15.84866 
1 1 1 -11 -6  51 o 43.981  8.6682  253.304    89.215   -147.4099  216.177  335.561    97.945   27.919  13.018  50.961  8.1991  -23.04223      15.38475 
1 1 1 -11 -6  52 o 52.048  4.7909  336.579    59.825   332.999    85.962   339.942    83.310   51.055  7.1340  51.707  6.8056  -0.6518097     9.859501 
1 1 1 -11 -6  53 o 66.898  6.3550  564.171    101.917  564.171    101.917  0.0000     0.0000   66.898  6.3550  ?       ?       0.000000       6.354964 
1 1 1 -11 -6  54 o 79.244  4.2325  775.240    81.087   783.329    115.833  767.468    113.549  78.934  6.0951  78.153  6.0346  0.7806396      8.577123 
1 1 1 -11 -6  55 o 44.156  5.2013  245.290    54.658   264.237    79.128   227.998    75.590   45.043  7.5040  41.675  7.7608  3.367928       10.79532 
1 1 1 -11 -6  56 o 54.079  5.1763  366.590    67.092   353.646    91.467   381.667    98.711   52.245  7.4242  54.169  7.7293  -1.924667      10.71734 
1 1 1 -11 -6  57 o 20.045  7.1896  44.631     44.440   -3.6188    53.309   154.541    80.458   16.536  7.1735  33.772  9.4478  -17.23522      11.86255 
1 1 1 -11 -6  58 o 11.190  5.1678  -25.1934   32.847   -3.7346    34.729   -207.2444  101.155  13.336  5.7876  15.264  7.5354  -1.927488      9.501535 
1 1 1 -11 -6  59 o 55.554  5.9527  390.615    78.990   351.688    93.964   484.403    145.851  51.976  7.6821  59.611  10.466  -7.634804      12.98241 
1 1 1 -11 -6  60 o 68.251  7.0738  597.979    115.445  0.0000     0.0000   597.979    115.445  ?       ?       68.251  7.0738  0.000000       7.073815 
1 1 1 -11 -6  61 o 69.937  4.5153  608.577    76.212   601.659    104.483  616.442    111.411  68.718  6.3377  69.371  6.7024  -0.6529083     9.224373 
1 1 1 -11 -5  1  o 312.043 13.244  11873.42   1002.79  0.0000     0.0000   11873.42   1002.79  ?       ?       312.043 13.244  0.000000       13.24437 
1 1 1 -11 -5  2  o 266.445 11.721  8646.04    757.750  0.0000     0.0000   8646.04    757.750  ?       ?       266.445 11.721  0.000000       11.72073 
1 1 1 -11 -5  3  o 414.649 9.7076  20912.59   976.693  21156.63   1713.16  20795.07   1188.82  415.968 16.974  413.222 11.857  2.745544       20.70474 
1 1 1 -11 -5  4  o 240.540 5.5109  7025.21    321.643  7196.38    456.749  6856.83    453.018  243.357 7.7352  237.540 7.8598  5.816666       11.02770 
1 1 1 -11 -5  5  o 322.120 6.8118  12603.64   532.403  12700.38   754.580  12507.75   751.295  323.158 9.6234  320.695 9.6550  2.462646       13.63190 
1 1 1 -11 -5  6  o 682.283 13.361  56737.47   2211.99  58190.31   3129.70  55287.35   3126.77  689.439 18.709  671.868 19.180  17.57135       26.79334 
1 1 1 -11 -5  7  o 174.639 4.3559  3701.94    184.578  3635.70    262.017  3767.19    260.058  173.025 6.2410  176.130 6.0852  -3.105301      8.716640 
1 1 1 -11 -5  8  o 155.999 4.1390  2953.73    156.670  3144.13    222.450  2766.34    220.690  160.917 5.6973  150.933 6.0261  9.984314       8.292915 
1 1 1 -11 -5  9  o 170.468 6.1774  3528.98    255.513  3534.26    380.545  3524.63    344.795  170.242 9.2471  170.294 8.3444  -0.5194092E-01 12.45546 
1 1 1 -11 -5  10 o 685.474 19.140  57547.26   3183.47  57174.77   4524.13  57912.58   4480.39  679.890 27.424  684.474 26.977  -4.584595      38.46872 
1 1 1 -11 -5  11 o 317.676 9.8130  12274.33   756.398  10636.76   1091.04  13789.80   1049.58  294.805 15.305  336.413 12.858  -41.60760      19.98954 
1 1 1 -11 -5  12 o 248.486 5.6528  7497.37    340.823  7403.22    483.194  7590.60    480.809  246.812 8.0685  249.924 7.9287  -3.111435      11.31212 
1 1 1 -11 -5  13 o 408.431 8.2997  20276.20   822.513  19517.94   1164.58  21030.90   1161.84  400.314 11.990  415.602 11.521  -15.28796      16.62809 
1 1 1 -11 -5  14 o 197.568 4.6966  4738.43    225.147  4906.35    319.581  4572.95    317.245  200.979 6.5534  194.024 6.7387  6.955414       9.399827 
1 1 1 -11 -5  15 o 311.417 6.6153  11780.74   499.864  11890.77   708.327  11671.58   705.512  312.670 9.3365  309.770 9.3864  2.899475       13.23916 
1 1 1 -11 -5  16 o 302.505 6.5322  11116.52   479.466  11547.11   679.458  10689.45   676.686  308.120 9.0882  296.429 9.4081  11.69037       13.08083 
1 1 1 -11 -5  17 f 280.344 6.0827  9546.45    413.762  9477.66    586.461  9614.63    583.845  279.158 8.6581  281.176 8.5577  -2.017883      12.17361 
1 1 1 -11 -5  18 o 258.830 5.6223  8136.75    353.095  7961.86    500.674  8309.81    498.039  255.882 8.0640  261.429 7.8514  -5.547302      11.25488 
1 1 1 -11 -5  19 o 510.715 10.136  31772.45   1256.06  31793.54   1777.98  31751.44   1774.69  509.843 14.372  509.510 14.355  0.3327637      20.31331 
1 1 1 -11 -5  20 o 396.014 8.0140  19081.38   770.064  19130.29   1090.57  19032.74   1087.51  395.948 11.351  394.938 11.349  1.010101       16.05132 
1 1 1 -11 -5  21 o 238.686 5.4939  6922.57    318.179  7068.42    451.321  6778.46    448.636  241.003 7.7179  235.997 7.8347  5.006073       10.99766 
1 1 1 -11 -5  22 o 304.742 6.5115  11295.44   481.479  11509.47   682.567  11083.46   679.273  307.235 9.1561  301.474 9.2860  5.761078       13.04089 
1 1 1 -11 -5  23 o 66.070  3.7333  531.799    59.605   515.230    84.094   548.527    84.496   64.880  5.3906  66.973  5.2414  -2.092995      7.518717 
1 1 1 -11 -5  24 o 179.276 6.4909  3912.02    282.350  4421.53    382.414  3301.39    418.649  190.398 8.2776  163.915 10.583  26.48320       13.43544 
1 1 1 -11 -5  25 o 158.481 6.0924  3056.82    234.276  3510.22    314.912  2494.88    350.584  169.674 7.6491  142.411 10.214  27.26247       12.76033 
1 1 1 -11 -5  26 o 114.334 5.3173  1589.98    147.512  1745.70    194.006  1376.58    227.112  119.525 6.7167  105.771 8.9328  13.75338       11.17630 
1 1 1 -11 -5  27 o 169.601 4.4687  3496.02    183.897  3552.32    261.478  3440.92    258.684  170.808 6.3090  168.105 6.3420  2.702820       8.945631 
1 1 1 -11 -5  28 o 105.289 3.6813  1346.56    94.048   1304.63    133.658  1387.68    132.360  103.430 5.3440  106.825 5.1065  -3.394516      7.391515 
1 1 1 -11 -5  29 f 122.777 3.9430  1831.34    117.464  1845.50    167.359  1817.59    164.907  123.164 5.6002  122.232 5.5602  0.9327011      7.891615 
1 1 1 -11 -5  30 o 103.107 3.7855  1291.42    94.706   1262.76    134.163  1319.88    133.706  101.742 5.4545  104.037 5.3143  -2.295921      7.615371 
1 1 1 -11 -5  31 o 174.512 4.7576  3702.40    201.454  3218.57    286.480  4175.69    283.344  162.488 7.2662  185.187 6.3058  -22.69933      9.620885 
1 1 1 -11 -5  32 o 233.654 7.6890  6660.22    435.918  6789.20    648.316  6553.79    588.917  235.137 11.363  231.228 10.497  3.908920       15.46938 
1 1 1 -11 -5  33 o 91.525  5.6644  1023.35    125.175  942.603    207.104  1069.82    157.122  87.170  9.9711  93.425  6.9817  -6.254799      12.17238 
1 1 1 -11 -5  34 o 12.420  5.9736  -79.6163   52.846   -61.4483   94.566   -87.8663   63.725   19.640  8.9577  13.951  6.6703  5.688247       11.16845 
1 1 1 -11 -5  35 o 94.778  3.7847  1091.57    87.038   1082.92    123.475  1100.11    122.708  94.166  5.4270  94.923  5.3495  -0.7560577     7.620362 
1 1 1 -11 -5  36 o 65.686  4.0002  526.445    63.452   563.140    87.169   485.087    92.540   67.801  5.3419  62.787  6.1534  5.013710       8.148586 
1 1 1 -11 -5  37 o 133.738 4.5583  2176.37    147.920  2144.51    237.021  2196.68    189.310  132.230 7.4174  134.236 5.8122  -2.006210      9.423314 
1 1 1 -11 -5  38 o 108.964 4.0804  1444.51    107.881  1477.99    153.862  1412.13    151.304  109.914 5.7896  107.425 5.8266  2.489647       8.213901 
1 1 1 -11 -5  39 o 68.986  4.1187  581.366    68.627   525.795    95.725   640.133    98.439   65.310  6.1116  72.190  5.6654  -6.879494      8.333569 
1 1 1 -11 -5  40 o 87.803  3.9871  938.793    84.943   1040.16    120.403  838.348    119.855  92.122  5.4103  82.562  6.0245  9.560051       8.097273 
1 1 1 -11 -5  41 o 150.548 4.3917  2764.25    160.427  2685.21    229.662  2839.56    224.193  147.945 6.3977  152.222 6.0699  -4.277206      8.818979 
1 1 1 -11 -5  42 o 146.755 4.3224  2628.28    153.914  2543.45    220.067  2709.50    215.344  143.894 6.3030  148.611 5.9720  -4.716721      8.682877 
1 1 1 -11 -5  43 o 158.590 4.4951  3073.24    172.973  2887.71    248.356  3248.02    241.050  153.068 6.6869  162.546 6.1117  -9.478409      9.059156 
1 1 1 -11 -5  44 o 32.232  6.8062  132.999    51.560   144.510    61.346   105.300    95.158   33.479  7.7109  30.222  10.550  3.256548       13.06755 
1 1 1 -11 -5  45 o 68.270  5.1081  574.804    84.002   585.874    103.692  553.666    143.283  68.642  6.2959  65.806  9.2272  2.835953       11.17044 
1 1 1 -11 -5  46 o 47.477  5.5363  280.816    62.581   251.938    75.251   345.576    112.689  44.525  7.2120  51.662  9.3332  -7.136738      11.79496 
1 1 1 -11 -5  47 o 32.428  7.3909  135.833    56.860   185.232    79.447   83.960     81.413   37.670  8.8434  27.376  9.7405  10.29383       13.15609 
1 1 1 -11 -5  48 o 87.274  4.2342  932.347    89.664   963.795    129.228  903.152    124.512  88.122  6.0809  85.300  6.0552  2.821930       8.581562 
1 1 1 -11 -5  49 o 51.082  4.8177  323.260    59.008   297.250    84.821   347.653    82.143   48.260  7.4861  52.539  6.5884  -4.279358      9.972398 
1 1 1 -11 -5  50 o 14.553  6.8426  -62.8900   61.847   253.439    160.559  -118.0024  67.018   43.182  13.671  13.228  6.4477  29.95312       15.11515 
1 1 1 -11 -5  51 o 50.950  7.0880  330.799    85.251   506.887    189.119  285.892    95.505   60.313  13.282  46.732  8.7441  13.58081       15.90206 
1 1 1 -11 -5  52 o 57.280  6.6847  415.779    91.161   415.779    91.161   0.0000     0.0000   57.280  6.6847  ?       ?       0.000000       6.684744 
1 1 1 -11 -5  53 o 43.996  8.2199  254.025    84.522   254.025    84.522   0.0000     0.0000   43.996  8.2199  ?       ?       0.000000       8.219898 
1 1 1 -11 -5  54 o 20.781  7.2604  49.807     45.072   86.238     69.860   23.828     58.993   26.482  9.0495  19.570  7.9475  6.912271       12.04388 
1 1 1 -11 -5  55 o 73.792  4.3400  673.987    77.365   744.882    111.969  609.219    107.021  76.888  6.0506  69.321  6.4361  7.567322       8.833636 
1 1 1 -11 -5  56 o 83.767  4.5762  870.104    92.660   840.812    128.472  901.863    133.772  81.423  6.5584  84.325  6.5904  -2.902496      9.297602 
1 1 1 -11 -5  57 o 36.410  6.8259  172.488    58.088   219.777    75.416   103.514    91.081   40.813  7.9012  29.048  10.306  11.76491       12.98633 
1 1 1 -11 -5  58 o 79.336  5.6737  789.573    108.498  895.894    133.024  578.285    187.524  84.072  6.5733  63.882  12.546  20.19023       14.16352 
1 1 1 -11 -5  59 o 68.304  10.703  636.472    171.555  0.0000     0.0000   636.472    171.555  ?       ?       68.304  10.703  0.000000       10.70290 
1 1 1 -11 -5  60 o 33.823  9.6907  156.313    83.613   0.0000     0.0000   156.313    83.613   ?       ?       33.823  9.6907  0.000000       9.690732 
1 1 1 -11 -4  1  o 525.530 21.166  33923.07   2698.95  0.0000     0.0000   33923.07   2698.95  ?       ?       525.530 21.166  0.000000       21.16570 
1 1 1 -11 -4  2  o 587.906 23.552  42558.07   3359.69  0.0000     0.0000   42558.07   3359.69  ?       ?       587.906 23.552  0.000000       23.55201 
1 1 1 -11 -4  3  o 258.778 5.6603  8131.20    355.411  8408.09    504.043  7857.41    501.222  263.043 7.8973  254.271 8.1240  8.771851       11.32990 
1 1 1 -11 -4  4  o 95.721  3.3857  1111.92    78.635   1020.38    111.852  1201.38    110.572  91.540  5.0554  99.484  4.5806  -7.944733      6.821980 
1 1 1 -11 -4  5  o 154.044 4.1242  2880.13    154.152  3013.23    219.010  2749.45    217.013  157.531 5.7297  150.474 5.9438  7.057892       8.255777 
1 1 1 -11 -4  6  f 254.346 5.5528  7854.58    342.687  7557.06    485.874  8149.08    483.401  249.377 8.0298  258.978 7.6927  -9.601151      11.12007 
1 1 1 -11 -4  7  o 407.386 8.3939  20170.53   829.726  20842.72   1174.67  19501.22   1172.15  413.773 11.700  400.191 12.071  13.58176       16.81093 
1 1 1 -11 -4  8  o 411.956 8.4137  20625.77   841.014  21050.98   1190.52  20202.21   1188.23  415.823 11.800  407.327 12.022  8.496307       16.84542 
1 1 1 -11 -4  9  o 252.584 7.7543  7751.87    475.240  8571.50    692.180  7020.93    653.654  265.416 10.748  240.182 11.216  25.23451       15.53452 
1 1 1 -11 -4  10 o 156.315 5.9242  2967.04    224.695  2865.91    336.819  3048.14    301.619  153.266 9.0978  158.383 7.8485  -5.116898      12.01534 
1 1 1 -11 -4  11 o 106.219 5.1449  1369.73    132.600  1544.95    204.852  1243.37    173.962  112.512 7.5474  100.917 7.1507  11.59549       10.39694 
1 1 1 -11 -4  12 o 253.909 5.5861  7827.94    344.151  7764.30    487.839  7890.99    485.576  252.768 7.9541  254.828 7.8532  -2.059296      11.17765 
1 1 1 -11 -4  13 o 586.459 11.624  41878.16   1654.08  41721.86   2340.49  42034.11   2337.96  584.287 16.509  586.490 16.429  -2.202942      23.29069 
1 1 1 -11 -4  14 o 507.762 10.039  31366.81   1236.90  32353.98   1750.56  30382.63   1747.91  515.010 14.009  498.989 14.437  16.02042       20.11614 
1 1 1 -11 -4  15 o 487.152 9.7863  28871.46   1156.77  28701.35   1637.27  29041.00   1634.58  485.030 13.912  487.912 13.807  -2.881897      19.60043 
1 1 1 -11 -4  16 o 527.295 10.474  33845.22   1340.07  33609.04   1896.48  34080.75   1893.82  524.554 14.900  528.253 14.775  -3.698181      20.98392 
1 1 1 -11 -4  17 o 378.451 7.8825  17411.62   723.833  17346.59   1025.04  17476.31   1022.27  377.353 11.195  378.771 11.123  -1.418243      15.78147 
1 1 1 -11 -4  18 o 415.220 8.6799  20972.76   874.496  20534.41   1238.07  21409.21   1235.38  410.279 12.437  418.979 12.152  -8.700134      17.38789 
1 1 1 -11 -4  19 o 116.398 3.7917  1644.64    107.089  1746.68    152.375  1545.06    150.535  119.923 5.2366  112.783 5.5009  7.140244       7.594823 
1 1 1 -11 -4  20 f 240.336 5.4100  7017.12    315.489  7303.65    447.528  6734.05    444.821  245.040 7.5270  235.268 7.7922  9.771194       10.83388 
1 1 1 -11 -4  21 o 207.452 5.0395  5228.26    253.668  5454.17    360.037  5005.58    357.458  211.753 7.0073  202.839 7.2629  8.914505       10.09220 
1 1 1 -11 -4  22 o 132.318 3.9208  2126.09    125.879  2096.99    178.932  2154.61    177.121  131.343 5.6146  133.142 5.4827  -1.798416      7.847486 
1 1 1 -11 -4  23 o 321.284 6.8752  12565.10   535.967  12890.01   759.510  12242.80   756.442  324.889 9.6346  316.581 9.8475  8.307709       13.77678 
1 1 1 -11 -4  24 o 228.167 7.3527  6343.21    407.064  6191.79    557.102  6516.65    596.239  224.980 10.205  230.722 10.650  -5.741913      14.75060 
1 1 1 -11 -4  25 o 349.227 10.684  14942.89   905.288  16782.19   1260.26  12981.92   1301.27  368.763 14.085  322.845 16.668  45.91876       21.82234 
1 1 1 -11 -4  26 f 74.657  5.1726  681.057    93.123   817.305    119.065  466.420    149.442  81.721  6.0476  60.861  10.499  20.85963       12.11619 
1 1 1 -11 -4  27 o 69.903  3.7195  595.242    62.862   599.132    88.741   591.323    89.059   69.991  5.2639  69.524  5.3197  0.4662323      7.483868 
1 1 1 -11 -4  28 o 90.163  3.6979  987.456    80.901   979.210    114.649  995.634    114.175  89.573  5.2987  90.331  5.2316  -0.7576218     7.446152 
1 1 1 -11 -4  29 f 96.778  3.7453  1137.71    87.948   1199.85    124.895  1076.58    123.865  99.193  5.2074  93.920  5.4589  5.273560       7.544309 
1 1 1 -11 -4  30 o 168.793 4.4811  3462.76    183.530  3488.75    261.191  3437.41    257.940  169.271 6.3593  168.024 6.3268  1.246811       8.970486 
1 1 1 -11 -4  31 o 238.199 5.5175  6902.77    318.894  6793.12    452.549  7010.92    449.436  235.954 7.9045  239.737 7.7262  -3.783157      11.05333 
1 1 1 -11 -4  32 o 87.387  6.3108  934.745    132.912  637.248    221.007  1103.30    166.357  70.767  13.361  94.850  7.2840  -24.08254      15.21728 
1 1 1 -11 -4  33 o 148.393 6.3285  2682.18    227.865  2745.70    360.292  2639.83    294.169  149.373 9.9984  146.779 8.2937  2.594040       12.99057 
1 1 1 -11 -4  34 o 157.705 6.4453  3030.68    246.633  3208.32    388.353  2910.61    319.285  161.472 9.9607  154.056 8.5755  7.416245       13.14367 
1 1 1 -11 -4  35 o 164.769 4.5602  3301.66    182.314  3391.32    260.377  3215.41    255.359  166.792 6.4337  162.403 6.4803  4.389084       9.131629 
1 1 1 -11 -4  36 o 9.3786  4.6283  -84.2405   38.030   -63.6693   50.137   -112.1128  58.360   12.629  6.0040  12.155  5.9445  0.4738159      8.448959 
1 1 1 -11 -4  37 o 23.531  6.9305  68.714     42.241   71.250     53.684   64.591     68.446   24.491  7.9212  24.896  8.9234  -0.4046326     11.93198 
1 1 1 -11 -4  38 o 42.614  4.9050  224.145    49.792   312.713    67.737   120.032    73.441   50.317  5.6455  30.977  9.1425  19.33951       10.74509 
1 1 1 -11 -4  39 o 25.684  6.6689  83.781     41.928   55.451     57.046   117.066    61.834   22.883  8.1523  30.343  8.2025  -7.460327      11.56466 
1 1 1 -11 -4  40 o 76.195  4.0457  709.181    74.530   638.980    104.695  781.308    106.122  72.000  6.0489  79.763  5.5172  -7.763084      8.187066 
1 1 1 -11 -4  41 o 73.871  4.0825  667.222    72.892   654.561    102.128  680.369    104.068  72.871  5.8246  74.304  5.8187  -1.432800      8.233093 
1 1 1 -11 -4  42 o 94.592  4.0265  1091.33    92.416   1058.45    131.255  1123.67    130.143  92.702  5.8656  95.579  5.6366  -2.877525      8.134914 
1 1 1 -11 -4  43 o 116.943 4.1288  1669.59    117.155  1609.48    167.518  1727.13    163.904  114.252 6.0645  118.607 5.6953  -4.355110      8.319478 
1 1 1 -11 -4  44 o 53.484  5.5742  355.056    71.275   418.398    87.418   229.439    123.106  57.932  6.3215  41.709  11.693  16.22353       13.29245 
1 1 1 -11 -4  45 o 55.142  5.4274  377.065    71.677   333.127    87.777   464.990    124.171  51.349  7.2464  60.359  8.7321  -9.009869      11.34729 
1 1 1 -11 -4  46 o 73.926  3.9826  669.696    71.175   630.764    101.709  707.057    99.636   71.303  5.9327  75.641  5.4655  -4.338043      8.066498 
1 1 1 -11 -4  47 o 63.853  4.5499  501.992    70.032   596.601    101.200  415.051    97.012   69.263  6.0833  57.393  7.1192  11.86984       9.364258 
1 1 1 -11 -4  48 o 120.081 4.1846  1765.05    121.925  1744.82    174.123  1784.52    170.781  118.665 6.0677  120.232 5.8541  -1.566299      8.431308 
1 1 1 -11 -4  49 o 60.004  5.9908  449.667    86.057   330.631    207.112  474.507    94.611   48.734  15.537  61.524  6.4328  -12.78970      16.81634 
1 1 1 -11 -4  50 o 77.635  6.3029  753.573    117.705  919.772    239.913  700.887    135.080  82.645  12.342  74.358  7.5933  8.286743       14.49087 
1 1 1 -11 -4  51 f 67.951  6.5176  581.049    106.142  581.049    106.142  0.0000     0.0000   67.951  6.5176  ?       ?       0.000000       6.517645 
1 1 1 -11 -4  52 o 26.148  9.1977  80.405     72.393   80.405     72.393   0.0000     0.0000   26.148  9.1977  ?       ?       0.000000       9.197721 
1 1 1 -11 -4  53 o 57.940  4.6697  416.983    65.093   480.857    92.570   354.510    91.550   61.697  6.2708  52.465  7.3968  9.231937       9.697180 
1 1 1 -11 -4  54 o 88.445  4.2889  964.219    92.041   1083.91    131.995  850.939    128.411  92.963  5.8820  82.024  6.5054  10.93908       8.770352 
1 1 1 -11 -4  55 o 28.467  7.2143  106.787    49.894   152.317    71.478   63.521     69.678   33.674  8.6897  24.175  8.9514  9.499683       12.47555 
1 1 1 -11 -4  56 o 80.114  4.5872  796.123    88.799   770.317    123.851  823.423    127.385  77.888  6.6160  80.567  6.5736  -2.678696      9.326481 
1 1 1 -11 -4  57 o 10.241  5.0744  -108.5154  47.433   -80.9030   61.761   -148.2240  74.064   13.652  6.5379  13.260  6.5276  0.3919649      9.238672 
1 1 1 -11 -4  58 o 33.598  8.0472  150.354    64.737   169.039    73.185   83.145     138.799  35.491  8.5907  30.317  12.233  5.174219       14.94812 
1 1 1 -11 -4  59 o 73.040  6.8613  681.341    120.174  0.0000     0.0000   681.341    120.174  ?       ?       73.040  6.8613  0.000000       6.861321 
1 1 1 -11 -4  60 o 54.603  5.0436  374.119    66.068   306.506    89.690   454.332    97.690   48.202  7.9455  59.409  6.9059  -11.20677      10.52723 
1 1 1 -11 -3  1  o 336.630 14.281  13823.09   1166.45  0.0000     0.0000   13823.09   1166.45  ?       ?       336.630 14.281  0.000000       14.28063 
1 1 1 -11 -3  2  o 456.117 9.1950  25295.48   1017.64  26524.93   1440.74  24071.44   1437.57  466.600 12.726  444.405 13.332  22.19440       18.43031 
1 1 1 -11 -3  3  o 88.627  3.3535  953.212    72.116   828.743    102.335  1076.01    101.643  82.462  5.1401  94.152  4.4492  -11.68974      6.798234 
1 1 1 -11 -3  4  o 85.734  3.4010  892.003    70.749   972.569    100.028  811.353    100.079  89.391  4.6276  81.594  5.0802  7.797112       6.871888 
1 1 1 -11 -3  5  o 122.592 3.7717  1823.95    112.193  1938.15    159.015  1710.75    158.316  126.352 5.1867  118.703 5.4966  7.648331       7.557468 
1 1 1 -11 -3  6  o 465.894 9.1770  26388.59   1037.41  25875.76   1468.53  26899.47   1465.73  460.840 13.133  469.909 12.855  -9.069702      18.37748 
1 1 1 -11 -3  7  o 199.743 4.6716  4842.97    226.414  4984.88    321.151  4702.73    319.252  202.596 6.5330  196.774 6.6866  5.821915       9.348293 
1 1 1 -11 -3  8  o 464.365 12.989  26270.77   1463.56  27877.33   2091.76  24729.95   2048.51  477.424 18.057  449.518 18.781  27.90576       26.05359 
1 1 1 -11 -3  9  o 150.849 5.8367  2763.05    213.636  2718.88    322.129  2797.73    285.440  149.287 8.9339  151.543 7.7891  -2.255814      11.85264 
1 1 1 -11 -3  10 o 95.203  5.1755  1103.61    119.107  1020.61    186.998  1160.27    154.502  91.238  8.5465  97.521  6.5676  -6.282745      10.77853 
1 1 1 -11 -3  11 o 85.392  5.0743  888.355    104.664  1077.21    164.612  760.195    135.604  93.883  7.2832  78.782  7.1724  15.10164       10.22197 
1 1 1 -11 -3  12 o 456.875 9.2807  25380.77   1028.83  24348.75   1456.12  26409.58   1453.85  446.941 13.427  465.560 12.870  -18.61874      18.59908 
1 1 1 -11 -3  13 o 316.122 6.5837  12138.02   504.995  12300.48   715.162  11976.46   713.183  318.049 9.2671  313.825 9.3659  4.224670       13.17574 
1 1 1 -11 -3  14 o 372.324 7.5188  16844.47   679.255  16320.15   961.610  17366.63   959.616  366.177 10.823  377.773 10.469  -11.59692      15.05769 
1 1 1 -11 -3  15 o 384.054 7.8416  17926.42   730.738  18239.63   1034.65  17614.70   1032.20  387.058 11.017  380.349 11.184  6.709076       15.69907 
1 1 1 -11 -3  16 o 255.829 5.6184  7947.94    348.757  7846.74    494.378  8048.20    492.063  254.067 8.0195  257.316 7.8811  -3.249527      11.24387 
1 1 1 -11 -3  17 o 309.288 6.7417  11622.93   505.935  12192.35   716.658  11057.18   714.348  316.555 9.3304  301.417 9.7674  15.13809       13.50769 
1 1 1 -11 -3  18 o 81.249  3.6029  801.256    71.028   785.144    101.251  816.868    99.666   80.237  5.2293  81.863  5.0421  -1.626366      7.264191 
1 1 1 -11 -3  19 o 186.974 4.7045  4245.16    213.433  4194.73    302.592  4295.10    301.092  185.773 6.7129  187.988 6.6009  -2.215317      9.414663 
1 1 1 -11 -3  20 o 339.783 7.2034  14041.45   593.883  14302.44   841.337  13782.27   838.425  342.513 10.123  336.201 10.278  6.311310       14.42629 
1 1 1 -11 -3  21 f 167.340 4.4913  3401.10    182.363  3356.57    258.937  3444.93    256.875  166.144 6.4231  168.324 6.2894  -2.180557      8.989604 
1 1 1 -11 -3  22 o 286.639 6.2092  9992.59    431.853  10209.71   612.020  9777.29    609.452  289.389 8.7160  283.170 8.8701  6.219238       12.43574 
1 1 1 -11 -3  23 o 417.226 9.9596  21273.28   1008.28  21128.71   1231.35  21567.47   1756.52  415.045 12.227  417.035 17.359  -1.990692      21.23259 
1 1 1 -11 -3  24 o 178.512 6.4790  3879.39    280.636  4306.11    380.456  3370.13    415.630  187.861 8.3465  165.618 10.395  22.24254       13.33149 
1 1 1 -11 -3  25 o 281.716 8.6851  9692.51    593.674  9786.28    819.502  9588.96    861.216  282.239 11.967  279.155 12.715  3.084106       17.46023 
1 1 1 -11 -3  26 o 147.860 5.8647  2660.61    210.408  2873.54    280.561  2386.92    318.082  153.509 7.5323  139.391 9.4606  14.11824       12.09297 
1 1 1 -11 -3  27 o 105.018 3.7772  1339.70    96.248   1380.62    136.633  1299.38    135.602  106.545 5.2852  103.214 5.4337  3.331543       7.580132 
1 1 1 -11 -3  28 o 53.193  4.0784  345.788    52.238   361.188    74.364   330.786    73.398   54.183  5.7439  51.799  5.9477  2.384350       8.268485 
1 1 1 -11 -3  29 o 234.974 5.4202  6715.87    309.032  6836.05    439.576  6598.43    434.543  236.763 7.6517  232.604 7.6993  4.158722       10.85482 
1 1 1 -11 -3  30 o 18.724  6.4792  38.375     35.853   51.918     46.454   18.421     56.385   21.576  7.3794  19.212  7.7811  2.364998       10.72383 
1 1 1 -11 -3  31 o 96.179  3.9735  1123.90    92.730   1068.10    130.973  1179.97    131.307  93.506  5.8013  98.328  5.5260  -4.822128      8.011989 
1 1 1 -11 -3  32 o 112.524 6.2725  1546.67    170.577  1434.77    281.794  1611.39    214.299  107.595 10.946  114.661 7.7482  -7.065498      13.41098 
1 1 1 -11 -3  33 o 248.851 8.2403  7564.75    497.564  7328.71    742.214  7757.42    670.554  243.515 12.605  251.330 10.996  -7.815186      16.72670 
1 1 1 -11 -3  34 o 120.823 6.6024  1784.72    192.828  1579.32    264.053  2019.42    282.254  113.109 9.7155  128.116 9.1397  -15.00707      13.33885 
1 1 1 -11 -3  35 o 289.466 6.3993  10215.82   449.466  10347.03   638.965  10087.29   632.367  290.601 9.0618  286.924 9.0832  3.677307       12.83048 
1 1 1 -11 -3  36 o 95.882  4.3554  1118.23    101.327  999.187    155.820  1205.45    133.378  90.154  7.1828  99.317  5.5570  -9.162743      9.081491 
1 1 1 -11 -3  37 o 81.893  4.0898  815.828    81.267   911.128    115.310  721.776    114.552  86.273  5.5377  76.647  6.2129  9.625938       8.322636 
1 1 1 -11 -3  38 o 198.907 5.0308  4823.08    242.801  4903.02    346.355  4745.83    340.467  200.064 7.1349  196.832 7.1288  3.231491       10.08595 
1 1 1 -11 -3  39 o 72.221  4.0669  637.145    70.978   630.451    100.673  643.762    100.086  71.579  5.8475  72.353  5.7484  -0.7734299     8.199833 
1 1 1 -11 -3  40 o 13.951  6.1584  -12.3226   40.827   -3.9087    52.578   -25.1005   64.794   16.689  7.1817  17.179  7.6608  -0.4904327     10.50069 
1 1 1 -11 -3  41 o 39.588  5.3009  195.081    49.641   179.078    68.734   212.529    71.769   37.401  7.8253  40.891  7.5102  -3.489460      10.84615 
1 1 1 -11 -3  42 o 69.010  3.9444  582.737    65.774   591.406    93.863   574.373    92.196   69.219  5.6376  68.212  5.6204  1.006950       7.960638 
1 1 1 -11 -3  43 o 126.340 5.6072  1959.82    171.890  2077.48    222.977  1787.49    269.854  129.419 7.1282  119.040 9.4196  10.37852       11.81273 
1 1 1 -11 -3  44 o 22.792  7.3659  62.819     46.429   46.192     54.206   108.610    89.959   21.462  7.9050  30.199  10.269  -8.736610      12.95947 
1 1 1 -11 -3  45 o 71.113  5.1826  623.965    88.810   548.394    109.808  766.879    151.006  66.193  6.9401  78.002  8.0965  -11.80860      10.66386 
1 1 1 -11 -3  46 f 80.965  4.2403  804.042    83.013   849.305    117.975  759.654    116.829  82.803  5.9107  78.204  6.2079  4.598976       8.571734 
1 1 1 -11 -3  47 o 19.434  7.3155  35.331     46.914   -0.7271    66.999   70.017     65.712   18.953  8.1303  24.907  8.7629  -5.954252      11.95366 
1 1 1 -11 -3  48 o 69.434  4.4062  593.177    73.848   656.712    107.059  535.508    101.998  72.613  6.1338  65.409  6.5134  7.204491       8.946945 
1 1 1 -11 -3  49 o 33.717  9.1130  149.424    76.331   -170.9037  178.590  221.020    84.431   24.361  11.507  41.075  8.7400  -16.71471      14.44974 
1 1 1 -11 -3  50 o 110.242 12.139  1626.52    319.336  1626.52    319.336  0.0000     0.0000   110.242 12.139  ?       ?       0.000000       12.13932 
1 1 1 -11 -3  51 o 65.651  6.3756  542.397    100.281  542.397    100.281  0.0000     0.0000   65.651  6.3756  ?       ?       0.000000       6.375637 
1 1 1 -11 -3  52 o 51.975  5.1790  337.565    64.443   473.332    96.973   230.184    86.242   61.111  6.6470  41.643  8.8101  19.46792       11.03630 
1 1 1 -11 -3  53 o 57.580  4.6972  412.182    65.054   458.704    93.370   368.295    90.689   60.125  6.5038  53.554  7.1581  6.570557       9.671532 
1 1 1 -11 -3  54 o 13.824  6.1851  -16.1345   42.610   10.456     64.880   -36.3023   56.504   19.219  8.1129  14.936  6.8543  4.282207       10.62076 
1 1 1 -11 -3  55 o 19.615  7.5977  34.086     51.564   29.882     65.316   41.039     84.005   20.778  8.3890  23.539  9.5102  -2.760725      12.68147 
1 1 1 -11 -3  56 o 87.231  4.5675  943.138    96.338   911.224    135.622  975.642    136.870  84.743  6.6491  87.804  6.4700  -3.060326      9.277411 
1 1 1 -11 -3  57 o 116.996 5.6510  1708.47    160.422  1376.06    197.938  2344.77    273.859  103.339 7.9552  134.563 8.4301  -31.22409      11.59105 
1 1 1 -11 -3  58 o 19.024  9.0551  -124.6670  114.713  0.0000     0.0000   -124.6670  114.713  ?       ?       19.024  9.0551  0.000000       9.055116 
1 1 1 -11 -3  59 o 13.915  6.2570  -18.5090   44.200   28.553     53.567   -118.9089  78.240   19.265  7.6586  14.694  7.1166  4.570789       10.45467 
1 1 1 -11 -3  60 o 19.980  7.5671  39.712     50.382   17.377     64.441   74.830     80.805   19.560  8.1599  25.788  9.6217  -6.227762      12.61591 
1 1 1 -11 -2  1  o 455.163 9.1076  25188.76   1005.85  25561.62   1422.78  24816.20   1422.20  458.038 12.802  451.282 12.988  6.756134       18.23680 
1 1 1 -11 -2  2  o 722.117 14.218  63588.93   2491.27  63487.38   3523.77  63690.40   3522.61  719.670 20.180  720.834 20.140  -1.164185      28.51040 
1 1 1 -11 -2  3  o 133.400 3.8836  2159.78    125.706  2471.11    178.348  1852.42    177.207  142.671 5.1519  123.513 5.9130  19.15773       7.842543 
1 1 1 -11 -2  4  o 173.462 4.9822  3652.69    209.695  3952.17    260.862  3105.75    352.532  180.409 5.9592  159.573 9.1430  20.83662       10.91358 
1 1 1 -11 -2  5  o 488.048 9.8325  28966.32   1164.37  29419.33   1647.34  28514.07   1645.98  491.280 13.819  483.628 14.027  7.651886       19.69061 
1 1 1 -11 -2  6  o 365.196 8.8170  16211.18   781.290  16374.28   961.440  15894.07   1340.61  366.853 10.801  360.914 15.309  5.939606       18.73539 
1 1 1 -11 -2  7  o 361.706 7.5701  15894.90   664.388  15968.67   940.469  15821.42   938.707  362.291 10.699  360.614 10.728  1.677124       15.15094 
1 1 1 -11 -2  8  o 474.166 13.691  27403.04   1575.21  25859.47   2249.60  28887.89   2206.41  459.379 20.182  485.873 18.715  -26.49326      27.52436 
1 1 1 -11 -2  9  o 209.732 6.7324  5342.57    342.610  6533.62    505.851  4333.16    465.685  231.832 8.9926  188.469 10.222  43.36380       13.61420 
1 1 1 -11 -2  10 o 131.494 5.4660  2099.28    174.396  2327.71    265.003  1924.77    231.621  138.179 7.9373  125.634 7.6343  12.54414       11.01287 
1 1 1 -11 -2  11 o 712.612 13.949  61914.49   2411.97  62879.06   3412.40  60951.45   3409.68  716.407 19.631  705.236 19.926  11.17053       27.97144 
1 1 1 -11 -2  12 o 445.949 9.0060  24178.17   974.498  23614.83   1379.34  24739.56   1376.95  440.232 12.913  450.642 12.593  -10.40970      18.03679 
1 1 1 -11 -2  13 f 613.538 12.063  45847.16   1795.76  46394.23   2540.86  45301.19   2538.31  616.006 16.999  608.654 17.187  7.351990       24.17404 
1 1 1 -11 -2  14 o 655.047 12.930  52299.75   2055.15  53288.32   2907.77  51313.00   2905.07  659.719 18.165  647.267 18.497  12.45190       25.92528 
1 1 1 -11 -2  15 o 486.788 9.8890  28830.96   1168.03  28951.61   1653.10  28710.66   1650.60  487.108 13.987  485.070 14.024  2.038635       19.80650 
1 1 1 -11 -2  16 o 10.171  4.8189  -38.7573   31.769   -57.7881   46.102   -21.5484   43.840   12.173  5.7783  13.901  6.2428  -1.728500      8.506515 
1 1 1 -11 -2  17 o 366.431 7.4915  16320.93   666.080  15925.70   943.149  16714.20   940.814  361.604 10.749  370.485 10.466  -8.881195      15.00268 
1 1 1 -11 -2  18 o 202.317 4.8499  4970.33    238.083  5007.59    337.910  4933.59    335.505  202.984 6.8608  201.479 6.8629  1.505539       9.704087 
1 1 1 -11 -2  19 o 144.958 4.0468  2551.07    142.338  2595.89    202.402  2507.21    200.207  146.175 5.7066  143.655 5.7437  2.519638       8.096675 
1 1 1 -11 -2  20 o 24.394  6.4986  74.873     39.156   23.888     56.203   122.963    54.584   19.705  7.8412  31.172  7.3384  -11.46646      10.73949 
1 1 1 -11 -2  21 o 337.531 7.2131  13863.54   590.748  14221.03   836.918  13508.57   833.977  341.360 10.104  332.654 10.332  8.705688       14.45176 
1 1 1 -11 -2  22 o 116.243 3.8480  1640.98    108.535  1779.06    154.951  1507.97    152.072  120.982 5.2785  111.226 5.6534  9.756210       7.734550 
1 1 1 -11 -2  23 o 169.835 6.1296  3509.43    252.595  3388.30    341.099  3656.53    375.874  166.449 8.4737  172.843 8.9935  -6.393784      12.35666 
1 1 1 -11 -2  24 o 300.358 9.3571  11025.94   681.940  12144.38   945.008  9810.71    985.055  314.355 12.389  281.537 14.469  32.81830       19.04845 
1 1 1 -11 -2  25 o 148.312 5.7864  2676.58    208.234  2674.22    278.639  2679.56    313.388  147.865 7.7938  147.853 8.7748  0.1156616E-01  11.73627 
1 1 1 -11 -2  26 o 170.194 4.4590  3520.42    184.141  3422.04    261.417  3617.30    259.423  167.639 6.4268  172.377 6.2025  -4.738007      8.931651 
1 1 1 -11 -2  27 o 250.717 5.6132  7647.31    341.476  7600.15    484.206  7693.97    481.645  249.588 7.9955  251.139 7.9040  -1.551743      11.24281 
1 1 1 -11 -2  28 o 303.367 6.5420  11207.33   481.551  11377.04   682.769  11039.35   679.278  305.091 9.2232  300.506 9.3160  4.584412       13.10935 
1 1 1 -11 -2  29 o 33.648  6.2108  142.187    48.839   129.050    64.675   159.619    74.501   31.927  8.2791  35.455  8.7204  -3.528513      12.02454 
1 1 1 -11 -2  30 o 82.456  4.1821  828.272    83.398   786.105    117.599  870.936    118.290  80.132  6.0940  84.400  5.8116  -4.268799      8.420906 
1 1 1 -11 -2  31 o 164.458 6.4778  3294.17    258.491  3466.10    401.592  3172.55    337.761  167.975 9.8969  160.915 8.6828  7.059906       13.16590 
1 1 1 -11 -2  32 o 109.293 6.1645  1459.12    162.808  1708.36    275.420  1325.25    201.850  117.731 9.7286  103.878 8.0717  13.85278       12.64111 
1 1 1 -11 -2  33 o 274.575 8.9497  9222.80    596.255  8563.13    881.343  9779.55    809.671  262.709 13.876  281.868 11.839  -19.15948      18.23956 
1 1 1 -11 -2  34 o 151.046 4.4018  2773.99    161.327  2672.38    229.962  2872.46    226.382  148.073 6.4005  153.551 6.0761  -5.478210      8.825295 
1 1 1 -11 -2  35 o 226.145 5.4186  6227.58    297.330  6192.57    423.268  6261.69    417.762  225.072 7.7505  226.357 7.6063  -1.284119      10.85934 
1 1 1 -11 -2  36 o 38.678  5.3372  185.647    48.754   225.053    67.662   143.098    70.310   42.406  6.8061  33.532  8.6002  8.874493       10.96747 
1 1 1 -11 -2  37 o 133.172 4.1724  2158.05    134.824  2101.19    193.960  2211.21    187.541  131.183 6.0935  134.622 5.7414  -3.438675      8.372250 
1 1 1 -11 -2  38 o 93.351  3.8682  1060.46    87.618   1071.48    125.336  1049.93    122.534  93.523  5.5481  92.585  5.4788  0.9373856      7.797327 
1 1 1 -11 -2  39 o 104.039 3.9211  1318.05    98.985   1293.27    141.235  1341.96    138.770  102.693 5.6903  104.654 5.4839  -1.960632      7.902697 
1 1 1 -11 -2  40 o 88.559  3.8408  955.424    82.531   1030.92    118.684  884.732    114.844  91.660  5.3597  84.842  5.6104  6.818481       7.759074 
1 1 1 -11 -2  41 o 34.768  5.5607  151.696    45.330   65.662     62.905   244.630    65.378   24.389  8.5741  44.204  6.2714  -19.81454      10.62289 
1 1 1 -11 -2  42 o 78.943  3.9056  760.245    74.811   799.416    106.634  722.278    104.983  80.556  5.4882  76.507  5.6961  4.048973       7.909824 
1 1 1 -11 -2  43 f 84.964  5.2380  888.594    107.458  878.604    134.689  906.089    178.240  84.113  6.6537  84.713  8.7999  -0.5990906     11.03219 
1 1 1 -11 -2  44 o 49.466  5.6921  304.759    67.073   344.181    80.829   217.590    120.193  52.415  6.4946  40.626  11.612  11.78898       13.30478 
1 1 1 -11 -2  45 o 113.991 4.0400  1588.00    111.742  1625.55    159.649  1551.93    156.453  114.910 5.7259  112.124 5.7703  2.785828       8.129116 
1 1 1 -11 -2  46 o 130.394 4.3430  2081.12    137.407  2048.61    196.596  2112.17    192.126  128.748 6.2932  130.820 6.0527  -2.072144      8.731525 
1 1 1 -11 -2  47 o 57.626  4.7417  410.100    65.713   489.803    94.993   336.957    91.000   62.607  6.3406  51.484  7.5053  11.12378       9.825153 
1 1 1 -11 -2  48 o 50.818  5.1915  321.070    63.115   339.571    91.253   304.103    87.388   51.630  7.5039  48.767  7.6358  2.862724       10.70580 
1 1 1 -11 -2  49 o 49.830  7.4942  317.563    87.805   255.326    198.522  332.699    97.902   43.771  15.241  50.772  8.2286  -7.001160      17.32003 
1 1 1 -11 -2  50 f 73.574  14.206  761.122    244.421  761.122    244.421  0.0000     0.0000   73.574  14.206  ?       ?       0.000000       14.20589 
1 1 1 -11 -2  51 o 77.412  6.4208  753.538    119.515  753.538    119.515  0.0000     0.0000   77.412  6.4208  ?       ?       0.000000       6.420771 
1 1 1 -11 -2  52 o 77.344  4.3307  738.784    80.947   708.080    114.743  769.203    114.210  74.952  6.3697  78.275  6.0606  -3.323730      8.792252 
1 1 1 -11 -2  53 o 48.726  5.1297  297.562    59.737   316.741    85.306   279.107    83.680   49.510  7.3219  46.263  7.7271  3.247269       10.64510 
1 1 1 -11 -2  54 o 29.680  7.0880  115.896    50.342   99.843     76.086   128.397    67.141   28.083  9.4448  31.009  8.6149  -2.925955      12.78364 
1 1 1 -11 -2  55 o 31.555  7.7875  132.226    59.262   115.887    79.666   152.468    88.672   29.789  9.6510  33.559  10.079  -3.770384      13.95481 
1 1 1 -11 -2  56 o 46.235  5.8632  271.225    64.298   229.659    86.024   323.844    96.787   41.391  8.8344  49.573  8.3428  -8.182079      12.15105 
1 1 1 -11 -2  57 o 34.452  12.878  146.060    144.885  0.0000     0.0000   146.060    144.885  ?       ?       34.452  12.878  0.000000       12.87799 
1 1 1 -11 -2  58 o 32.373  12.574  116.771    141.545  0.0000     0.0000   116.771    141.545  ?       ?       32.373  12.574  0.000000       12.57441 
1 1 1 -11 -2  59 o 32.798  6.8910  141.380    53.096   157.907    68.945   117.291    83.237   34.237  8.3696  29.878  9.8747  4.359329       12.94449 
1 1 1 -11 -1  1  o 619.068 12.216  46672.91   1835.05  46069.60   2594.30  47277.02   2596.01  613.850 17.418  621.900 17.204  -8.050537      24.48160 
1 1 1 -11 -1  2  o 282.538 6.1031  9693.79    418.400  9714.50    590.983  9672.98    592.433  282.709 8.6153  282.101 8.6551  0.6072388      12.21204 
1 1 1 -11 -1  3  o 362.217 7.5369  15939.76   662.409  16466.10   936.341  15412.42   937.236  367.906 10.489  355.906 10.853  12.00000       15.09325 
1 1 1 -11 -1  4  o 911.072 20.569  101749.60  4547.07  107710.10  7860.67  98752.12   5574.36  928.450 34.893  894.989 25.669  33.46094       43.31772 
1 1 1 -11 -1  5  o 523.362 10.383  33318.25   1318.52  33886.38   1864.62  32750.08   1864.71  527.132 14.578  518.172 14.831  8.960205       20.79633 
1 1 1 -11 -1  6  o 305.779 6.6271  11355.70   491.691  11603.80   695.197  11107.37   695.515  308.942 9.2740  302.247 9.4838  6.695221       13.26456 
1 1 1 -11 -1  7  o 518.688 14.715  32812.63   1851.90  32196.38   2640.07  33409.57   2598.40  512.334 21.237  522.089 20.512  -9.754761      29.52528 
1 1 1 -11 -1  8  o 864.439 24.125  91955.02   5060.22  90382.08   7177.89  93509.11   7134.78  850.567 34.780  865.735 33.965  -15.16797      48.61316 
1 1 1 -11 -1  9  f 363.392 10.867  16067.74   958.221  14733.13   1376.57  17322.30   1334.66  347.334 16.334  376.870 14.595  -29.53519      21.90474 
1 1 1 -11 -1  10 o 265.390 8.1687  8559.13    526.018  9040.91    765.533  8128.20    724.006  272.527 11.577  258.407 11.547  14.11996       16.35115 
1 1 1 -11 -1  11 o 622.651 12.247  47215.89   1850.26  47845.45   2617.50  46587.14   2615.83  625.613 17.243  617.271 17.465  8.341858       24.54291 
1 1 1 -11 -1  12 o 339.431 6.9495  13995.45   572.359  14287.87   810.264  13704.22   808.613  342.749 9.7429  335.659 9.9284  7.089569       13.91028 
1 1 1 -11 -1  13 o 240.741 5.4166  7036.85    316.404  6836.90    448.280  7235.35    446.650  237.195 7.7890  244.021 7.5435  -6.826218      10.84311 
1 1 1 -11 -1  14 o 686.627 13.399  57487.99   2232.40  56462.93   3158.24  58511.54   3155.94  678.680 19.179  691.014 18.823  -12.33331      26.87200 
1 1 1 -11 -1  15 o 302.438 6.2880  11110.16   461.436  11089.11   653.521  11131.08   651.621  301.971 8.9193  302.545 8.8765  -0.5742798     12.58354 
1 1 1 -11 -1  16 o 474.332 9.6038  27376.85   1105.32  27290.55   1564.62  27462.83   1561.72  472.875 13.636  474.379 13.568  -1.504303      19.23637 
1 1 1 -11 -1  17 o 112.165 3.7170  1527.08    101.162  1410.15    143.344  1643.10    142.787  107.614 5.5081  116.324 5.0589  -8.710739      7.478759 
1 1 1 -11 -1  18 o 168.172 4.3819  3433.75    178.804  3712.02    254.061  3160.64    251.691  174.796 5.9902  161.275 6.4319  13.52107       8.789289 
1 1 1 -11 -1  19 o 542.377 10.891  35882.60   1433.27  36237.31   2028.48  35528.96   2025.42  543.597 15.379  538.209 15.510  5.388184       21.84178 
1 1 1 -11 -1  20 o 411.956 8.3413  20664.96   833.772  21116.23   1180.71  20216.11   1177.56  415.690 11.706  406.676 11.934  9.013885       16.71651 
1 1 1 -11 -1  21 o 404.231 8.3408  19909.55   818.093  20541.28   1158.59  19281.37   1155.33  409.758 11.653  396.894 11.997  12.86435       16.72476 
1 1 1 -11 -1  22 o 346.280 7.2214  14601.50   606.750  15047.04   859.732  14159.39   856.425  350.904 10.097  340.329 10.371  10.57486       14.47476 
1 1 1 -11 -1  23 o 182.569 6.4930  4057.45    287.632  4216.12    389.314  3866.75    426.812  185.865 8.6325  177.554 9.9471  8.311203       13.17059 
1 1 1 -11 -1  24 o 290.442 9.0541  10307.10   638.068  11074.55   882.427  9466.15    923.718  300.223 12.114  277.067 13.740  23.15567       18.31743 
1 1 1 -11 -1  25 f 149.364 5.8093  2714.80    210.540  2632.86    280.820  2819.99    318.161  146.692 7.9190  151.705 8.6794  -5.012680      11.74915 
1 1 1 -11 -1  26 o 229.598 5.3777  6411.83    299.591  6521.84    425.333  6303.52    422.058  231.268 7.5797  227.353 7.6508  3.914688       10.76968 
1 1 1 -11 -1  27 o 204.857 4.9449  5102.31    245.792  5049.69    349.248  5153.94    345.981  203.570 7.0706  205.678 6.9327  -2.107956      9.902271 
1 1 1 -11 -1  28 o 307.014 6.6077  11479.31   492.235  11371.98   698.029  11585.47   694.237  304.970 9.4330  307.854 9.2939  -2.884277      13.24232 
1 1 1 -11 -1  29 o 125.559 4.0589  1915.43    123.656  2017.28    177.364  1819.11    172.490  128.763 5.6769  122.267 5.8142  6.496620       8.126015 
1 1 1 -11 -1  30 o 24.433  7.0584  74.264     44.194   107.820    60.426   35.670     64.803   29.308  8.1836  21.838  8.5010  7.470543       11.79990 
1 1 1 -11 -1  31 o 298.976 9.1945  10931.58   667.003  11299.78   978.918  10612.51   911.279  302.643 13.331  293.486 12.797  9.156586       18.47872 
1 1 1 -11 -1  32 o 320.408 9.5955  12569.78   745.990  13519.05   1091.41  11737.44   1021.98  330.765 13.599  308.172 13.667  22.59293       19.28030 
1 1 1 -11 -1  33 o 254.429 8.2421  7911.06    508.822  8015.99    756.581  7824.41    687.530  255.000 12.228  252.246 11.233  2.753235       16.60439 
1 1 1 -11 -1  34 o 108.920 3.9399  1441.94    104.126  1417.11    148.489  1465.96    146.053  107.721 5.7014  109.729 5.4856  -2.007957      7.911882 
1 1 1 -11 -1  35 o 135.665 4.1888  2238.15    137.886  2187.63    197.234  2286.45    192.840  133.952 6.0683  136.973 5.8023  -3.021133      8.395902 
1 1 1 -11 -1  36 o 108.054 3.9460  1419.97    103.458  1478.27    148.122  1364.44    144.567  109.978 5.5689  105.635 5.6608  4.343254       7.940846 
1 1 1 -11 -1  37 o 62.720  4.1037  480.783    62.108   476.997    87.121   484.694    88.563   62.238  5.8373  62.734  5.8870  -0.4965858     8.290403 
1 1 1 -11 -1  38 o 44.056  4.8022  239.433    50.503   312.458    70.254   161.341    72.650   50.224  5.8761  35.486  8.5406  14.73757       10.36679 
1 1 1 -11 -1  39 o 42.591  5.2211  224.875    52.827   211.850    78.744   235.534    71.235   40.726  8.2513  43.252  7.0291  -2.526543      10.83939 
1 1 1 -11 -1  40 o 112.161 4.0307  1533.66    109.696  1573.96    156.472  1494.70    153.829  113.210 5.7147  110.303 5.7677  2.906952       8.119343 
1 1 1 -11 -1  41 o 108.567 3.9272  1437.48    103.452  1388.06    148.396  1484.21    144.298  106.211 5.7800  110.062 5.4033  -3.851669      7.912270 
1 1 1 -11 -1  42 o 164.169 4.5532  3295.43    181.371  3200.55    259.010  3386.71    254.057  161.089 6.6265  165.832 6.3139  -4.743484      9.152966 
1 1 1 -11 -1  43 o 118.584 5.6404  1728.41    162.294  1917.15    208.366  1437.30    258.772  124.298 6.9364  106.181 10.168  18.11691       12.30892 
1 1 1 -11 -1  44 o 54.187  5.6495  364.944    73.187   358.408    88.943   378.650    128.793  53.345  7.0438  53.857  10.230  -0.5123787     12.42025 
1 1 1 -11 -1  45 f 27.715  6.3377  98.580     41.693   42.130     55.789   169.993    62.748   21.174  7.9761  36.365  7.3639  -15.19140      10.85563 
1 1 1 -11 -1  46 o 41.608  5.8067  217.367    57.026   152.541    82.605   276.392    78.822   34.191  9.5758  46.646  7.1956  -12.45477      11.97806 
1 1 1 -11 -1  47 o 101.915 4.2027  1271.74    103.928  1286.36    148.202  1257.60    145.781  101.842 6.0242  100.704 5.9931  1.137512       8.497591 
1 1 1 -11 -1  48 o 37.226  8.5167  181.561    75.261   -19.6368   182.584  222.744    82.606   29.513  13.026  41.309  8.5241  -11.79587      15.56715 
1 1 1 -11 -1  49 o 43.605  15.029  256.472    192.811  256.472    192.811  0.0000     0.0000   43.605  15.029  ?       ?       0.000000       15.02892 
1 1 1 -11 -1  50 o 42.941  8.4624  241.925    85.036   241.925    85.036   0.0000     0.0000   42.941  8.4624  ?       ?       0.000000       8.462423 
1 1 1 -11 -1  51 o 39.636  5.9065  199.547    55.070   180.716    82.942   214.393    73.645   36.719  9.2993  40.516  7.7740  -3.796337      12.12079 
1 1 1 -11 -1  52 o 49.944  5.0123  311.785    59.922   288.257    85.428   334.572    84.073   47.062  7.7510  51.089  6.9635  -4.026680      10.41962 
1 1 1 -11 -1  53 f 43.444  5.6264  238.906    57.916   251.121    84.087   227.881    79.885   43.599  8.2508  41.496  8.2248  2.103394       11.65000 
1 1 1 -11 -1  54 o 19.531  7.6206  32.545     52.169   32.818     67.255   32.132     82.663   21.235  8.5340  22.772  9.3458  -1.536863      12.65596 
1 1 1 -11 -1  55 o 40.439  6.4084  210.237    60.784   279.984    80.224   116.230    93.137   46.419  7.3688  30.255  10.444  16.16402       12.78218 
1 1 1 -11 -1  56 o 68.592  7.1743  602.690    117.636  0.0000     0.0000   602.690    117.636  ?       ?       68.592  7.1743  0.000000       7.174278 
1 1 1 -11 -1  57 o 61.902  12.772  547.266    185.468  0.0000     0.0000   547.266    185.468  ?       ?       61.902  12.772  0.000000       12.77195 
1 1 1 -11 -1  58 o 41.071  6.1556  216.304    59.454   193.669    79.544   244.955    89.494   37.863  8.8218  42.635  8.9367  -4.771969      12.55740 
1 1 1 -11 -1  59 o 61.607  4.9758  475.458    73.745   380.758    98.223   597.808    111.644  53.885  7.7342  68.222  6.8365  -14.33738      10.32257 
1 1 1 -11 0   1  o 1182.51 23.057  171923.00  6615.62  171581.59  9355.32  172264.50  9356.47  1173.35 32.860  1175.75 32.797  -2.392212      46.42641 
1 1 1 -11 0   2  o 394.257 9.3871  18899.18   898.000  19990.08   1541.32  18338.60   1104.90  404.682 15.697  388.127 11.732  16.55469       19.59697 
1 1 1 -11 0   3  o 66.951  3.4195  545.383    55.365   555.252    78.401   535.565    78.194   67.460  4.8215  66.241  4.8998  1.219604       6.874209 
1 1 1 -11 0   4  o 573.634 11.345  40046.85   1579.05  40079.78   2232.71  40013.89   2233.53  572.968 16.060  572.492 16.079  0.4754639      22.72548 
1 1 1 -11 0   5  o 445.048 9.1508  24078.69   988.161  25005.49   1397.32  23151.49   1397.62  453.103 12.710  435.913 13.214  17.19003       18.33409 
1 1 1 -11 0   6  o 430.413 12.521  22561.21   1307.69  21343.88   1871.04  23723.68   1828.39  417.708 18.461  440.637 17.101  -22.92923      25.16435 
1 1 1 -11 0   7  o 588.256 23.309  42540.48   3327.08  0.0000     0.0000   42540.48   3327.08  ?       ?       588.256 23.309  0.000000       23.30948 
1 1 1 -11 0   8  o 66.696  5.1868  543.304    83.279   534.971    133.836  548.569    106.382  65.790  8.5888  66.878  6.6437  -1.087601      10.85847 
1 1 1 -11 0   9  o 403.455 11.566  19813.86   1132.30  20401.71   1622.72  19256.05   1580.73  408.717 16.363  397.069 16.407  11.64862       23.17168 
1 1 1 -11 0   10 o 1189.12 23.202  173882.70  6694.37  174565.70  9467.06  173199.50  9467.49  1183.38 32.971  1178.61 33.105  4.769165       46.72293 
1 1 1 -11 0   11 o 638.381 12.432  49639.34   1925.65  50457.80   2723.23  48820.83   2723.32  642.378 17.471  631.788 17.765  10.58984       24.91675 
1 1 1 -11 0   12 o 542.320 10.942  35795.20   1439.83  36132.15   2036.48  35458.41   2035.99  544.014 15.428  538.886 15.571  5.127441       21.91968 
1 1 1 -11 0   13 o 616.838 12.284  46353.09   1838.50  45775.08   2600.50  46930.68   2599.55  611.670 17.522  619.409 17.296  -7.739197      24.62064 
1 1 1 -11 0   14 o 411.693 8.2738  20603.54   826.500  20030.55   1169.47  21175.31   1168.23  405.501 11.886  416.976 11.547  -11.47415      16.57100 
1 1 1 -11 0   15 o 80.652  3.6881  789.494    72.174   823.385    102.863  756.629    101.295  82.185  5.1848  78.758  5.3321  3.427956       7.437298 
1 1 1 -11 0   16 o 237.609 5.3216  6856.01    306.810  6617.52    434.639  7092.87    433.156  233.321 7.6773  241.573 7.3898  -8.252014      10.65601 
1 1 1 -11 0   17 o 288.760 6.2729  10130.64   439.510  10330.57   622.682  9932.15    620.447  291.390 8.8070  285.703 8.9501  5.687653       12.55654 
1 1 1 -11 0   18 o 579.606 11.671  40990.59   1641.39  40603.74   2322.58  41376.57   2319.98  575.172 16.642  580.691 16.466  -5.518677      23.41101 
1 1 1 -11 0   19 o 173.990 4.4854  3676.32    189.363  3712.37    268.813  3640.80    266.798  174.756 6.3395  173.062 6.3535  1.693436       8.975344 
1 1 1 -11 0   20 o 117.119 3.7987  1665.49    107.950  1640.60    153.412  1689.90    151.926  116.190 5.4416  117.928 5.3095  -1.737846      7.602752 
1 1 1 -11 0   21 o 124.253 3.9984  1875.04    120.548  1854.94    171.668  1894.59    169.317  123.517 5.7280  124.836 5.5898  -1.319374      8.003442 
1 1 1 -11 0   22 o 206.508 6.9712  5192.73    349.306  5245.65    475.577  5130.74    514.728  207.239 9.4577  204.555 10.405  2.684326       14.06095 
1 1 1 -11 0   23 o 283.161 8.8416  9791.17    607.474  10378.63   839.209  9144.52    880.472  290.767 11.895  272.530 13.315  18.23776       17.85426 
1 1 1 -11 0   24 o 50.389  5.7606  312.949    69.166   188.144    86.651   532.101    114.823  38.471  9.3698  65.667  7.3315  -27.19691      11.89721 
1 1 1 -11 0   25 o 113.752 3.8442  1571.91    106.104  1633.04    151.247  1512.68    148.887  115.870 5.3796  111.511 5.5027  4.358276       7.695441 
1 1 1 -11 0   26 o 282.753 6.1567  9731.87    422.398  9699.33    599.255  9764.00    595.485  281.799 8.7641  282.755 8.6795  -0.9561768     12.33467 
1 1 1 -11 0   27 o 214.680 5.2082  5604.70    271.298  5617.18    385.299  5592.42    382.068  214.660 7.3975  214.193 7.3514  0.4672089      10.42910 
1 1 1 -11 0   28 o 170.445 4.4757  3530.80    185.101  3826.75    263.918  3244.28    259.677  177.307 6.1345  163.218 6.5570  14.08908       8.979188 
1 1 1 -11 0   29 o 211.216 5.2018  5425.58    266.589  5504.87    379.530  5348.36    374.547  212.494 7.3610  209.450 7.3699  3.043549       10.41630 
1 1 1 -11 0   30 o 128.464 5.9437  2008.73    185.268  1794.18    296.515  2146.13    237.289  120.603 10.229  132.460 7.4127  -11.85769      12.63264 
1 1 1 -11 0   31 o 18.416  7.9948  -10.7616   66.312   29.140     138.038  -22.7323   75.608   29.047  12.015  19.021  8.3893  10.02582       14.65429 
1 1 1 -11 0   32 o 194.879 6.9324  4630.39    327.803  4995.54    502.810  4360.46    432.306  201.557 10.316  188.476 9.4833  13.08099       14.01241 
1 1 1 -11 0   33 o 318.018 6.7895  12333.45   523.907  12606.97   743.937  12064.32   737.931  320.713 9.5600  313.689 9.6951  7.023621       13.61572 
1 1 1 -11 0   34 f 93.914  3.8147  1071.99    86.927   1056.57    123.824  1086.97    122.062  92.983  5.5129  94.335  5.3547  -1.351624      7.685384 
1 1 1 -11 0   35 o 81.115  4.0138  800.101    78.999   935.769    113.178  671.200    110.319  87.482  5.3577  73.919  6.2083  13.56290       8.200465 
1 1 1 -11 0   36 o 77.179  4.0007  726.564    74.663   715.728    107.510  736.658    103.770  76.366  5.8465  77.523  5.5534  -1.157791      8.063642 
1 1 1 -11 0   37 o 163.799 4.5632  3268.76    181.362  3205.50    258.573  3330.01    254.447  161.840 6.5846  165.003 6.3554  -3.162369      9.151426 
1 1 1 -11 0   38 o 76.918  4.1973  722.915    78.039   735.926    120.562  713.532    102.382  77.232  6.4938  76.209  5.5754  1.023216       8.558933 
1 1 1 -11 0   39 o 91.143  3.9359  1012.16    87.042   1049.34    124.317  976.401    121.911  92.441  5.5684  89.139  5.6659  3.301727       7.944207 
1 1 1 -11 0   40 o 77.513  3.9539  734.443    74.117   785.076    105.529  685.154    104.119  79.879  5.4778  74.532  5.8031  5.347130       7.980080 
1 1 1 -11 0   41 o 31.948  5.9053  129.236    44.091   105.511    59.963   157.165    65.057   28.774  8.1938  34.941  7.8636  -6.166216      11.35669 
1 1 1 -11 0   42 f 48.385  5.8676  291.926    67.478   312.291    80.891   245.330    122.355  49.830  6.8733  43.091  11.491  6.738911       13.39012 
1 1 1 -11 0   43 o 29.718  7.3411  113.849    52.625   121.014    61.475   94.196     101.807  30.613  8.1367  29.657  10.847  0.9558811      13.55961 
1 1 1 -11 0   44 o 31.161  7.0080  124.980    51.702   80.759     61.737   228.825    94.607   25.849  8.5024  41.805  9.5376  -15.95612      12.77718 
1 1 1 -11 0   45 o 10.952  5.1659  -39.7629   35.770   -83.7459   62.153   -17.9802   43.739   13.740  6.5741  14.016  6.2689  -0.2759552     9.083989 
1 1 1 -11 0   46 o ?       ?       -121.7107  26.326   -308.1522  54.562   -65.1366   30.056   ?       ?       8.3715  4.1282  0.000000       4.128166 
1 1 1 -11 0   47 o 23.454  7.3091  68.494     46.079   -38.3159   69.630   151.716    61.462   17.006  7.7294  34.194  7.6045  -17.18774      10.84310 
1 1 1 -11 0   48 o 22.359  10.549  -144.0305  149.274  -144.0305  149.274  0.0000     0.0000   22.359  10.549  ?       ?       0.000000       10.54863 
1 1 1 -11 0   49 f 36.847  14.586  137.875    193.523  137.875    193.523  0.0000     0.0000   36.847  14.586  ?       ?       0.000000       14.58555 
1 1 1 -11 0   50 o 20.627  7.4085  46.482     47.203   63.896     73.309   34.149     61.693   24.666  9.1721  20.875  8.2441  3.790829       12.33260 
1 1 1 -11 0   51 o 76.158  4.4129  716.803    81.196   639.162    116.467  790.223    113.257  70.984  6.8470  79.408  5.9207  -8.423889      9.051828 
1 1 1 -11 0   52 o 18.378  7.1836  27.810     46.419   49.687     71.069   11.533     61.302   23.086  8.9259  18.855  7.9188  4.230623       11.93224 
1 1 1 -11 0   53 o 49.235  5.1638  304.177    60.771   322.319    89.658   288.758    82.656   49.758  7.6729  47.125  7.4784  2.632668       10.71452 
1 1 1 -11 0   54 o 30.842  7.7195  126.197    57.633   61.877     74.710   220.723    90.570   24.406  9.2216  40.327  9.4253  -15.92182      13.18610 
1 1 1 -11 0   55 o 12.128  5.5179  -20.4367   35.601   -51.1794   40.448   85.258     74.999   11.222  5.3513  26.591  9.3609  -15.36825      10.78256 
1 1 1 -11 0   56 o 28.596  12.072  44.579     143.651  0.0000     0.0000   44.579     143.651  ?       ?       28.596  12.072  0.000000       12.07161 
1 1 1 -11 0   57 o 57.404  7.6573  427.883    103.996  427.883    103.996  0.0000     0.0000   57.404  7.6573  ?       ?       0.000000       7.657299 
1 1 1 -11 0   58 o 34.260  6.9225  154.037    55.565   130.775    70.870   191.153    89.519   31.135  8.9221  37.240  9.7810  -6.104483      13.23905 
1 1 1 -11 1   1  o 285.443 6.1955  9894.44    429.104  10121.51   605.833  9665.85    607.861  288.568 8.6525  281.983 8.8842  6.584686       12.40136 
1 1 1 -11 1   2  o 371.980 7.7205  16811.82   696.830  17146.52   984.781  16476.18   986.153  375.399 10.811  367.964 11.045  7.434326       15.45587 
1 1 1 -11 1   3  o 895.524 17.547  98030.62   3812.80  98309.50   5391.35  97751.58   5392.87  893.420 24.870  890.838 24.949  2.581116       35.22766 
1 1 1 -11 1   4  o 528.368 10.489  33960.44   1344.72  34665.57   1901.20  33254.53   1902.25  533.136 14.697  522.113 15.015  11.02325       21.01101 
1 1 1 -11 1   5  o 296.628 9.0898  10696.32   654.231  10124.26   945.365  11222.10   906.315  288.236 13.517  303.577 12.304  -15.34109      18.27851 
1 1 1 -11 1   6  o 511.519 20.366  32065.78   2527.72  0.0000     0.0000   32065.78   2527.72  ?       ?       511.519 20.366  0.000000       20.36589 
1 1 1 -11 1   7  o 879.137 24.766  95180.55   5282.95  90730.13   7493.48  99578.51   7449.17  851.118 36.285  893.092 34.375  -41.97345      49.98281 
1 1 1 -11 1   8  o 358.655 10.595  15649.30   922.001  15226.90   1325.88  16044.81   1282.99  353.227 15.470  362.709 14.578  -9.482483      21.25649 
1 1 1 -11 1   9  o 266.920 6.7362  8653.51    436.278  9111.28    539.025  7784.03    742.877  273.819 8.1130  252.835 12.109  20.98444       14.57579 
1 1 1 -11 1   10 o 596.346 11.833  43299.80   1712.23  43769.25   2421.14  42830.11   2421.76  598.518 16.672  592.015 16.859  6.503235       23.71024 
1 1 1 -11 1   11 o 330.787 6.8429  13291.23   549.226  12823.98   776.354  13759.36   777.091  324.707 9.8538  336.369 9.5212  -11.66193      13.70223 
1 1 1 -11 1   12 o 236.632 5.3629  6798.58    307.917  6593.35    435.139  7004.41    435.782  232.936 7.6989  240.098 7.4802  -7.162003      10.73436 
1 1 1 -11 1   13 o 686.120 13.446  57405.31   2238.47  57028.86   3165.61  57781.80   3165.75  682.092 19.127  686.626 19.002  -4.533997      26.96133 
1 1 1 -11 1   14 o 302.506 6.3294  11115.35   464.581  10971.88   656.989  11258.85   657.045  300.363 9.0146  304.275 8.8995  -3.912109      12.66744 
1 1 1 -11 1   15 o 477.091 9.5954  27696.13   1110.78  26760.55   1571.08  28631.24   1570.69  468.221 13.829  484.408 13.363  -16.18686      19.23056 
1 1 1 -11 1   16 o 115.738 3.7785  1625.93    106.111  1691.45    150.560  1561.27    149.572  118.019 5.2577  113.383 5.4368  4.636559       7.563158 
1 1 1 -11 1   17 o 162.936 4.3012  3223.19    170.048  3209.19    240.719  3237.15    240.250  162.522 6.1043  163.230 6.0660  -0.7079468     8.605721 
1 1 1 -11 1   18 f 534.073 10.695  34785.59   1385.93  34409.09   1960.98  35161.34   1959.02  529.752 15.256  535.578 15.075  -5.825928      21.44741 
1 1 1 -11 1   19 o 405.252 8.1886  19995.24   805.196  19983.62   1139.78  20006.82   1137.67  404.410 11.615  404.652 11.587  -0.2417297     16.40654 
1 1 1 -11 1   20 o 398.913 8.2360  19387.01   797.183  19440.60   1128.61  19333.65   1126.17  398.624 11.669  397.524 11.675  1.099915       16.50673 
1 1 1 -11 1   21 o 345.560 7.2604  14541.42   608.762  14439.57   862.320  14642.63   859.526  343.687 10.340  346.122 10.234  -2.434814      14.54889 
1 1 1 -11 1   22 o 182.878 6.4590  4071.04    286.611  4064.98    387.456  4078.36    425.929  182.488 8.7503  182.418 9.6573  0.7025146E-01  13.03192 
1 1 1 -11 1   23 o 285.983 8.8793  9990.34    616.143  10391.80   851.187  9548.44    893.035  290.836 12.062  278.435 13.218  12.40060       17.89453 
1 1 1 -11 1   24 o 149.291 5.8564  2712.31    212.144  2726.73    282.942  2693.79    320.610  149.304 7.8376  148.211 8.9573  1.092743       11.90213 
1 1 1 -11 1   25 o 229.111 5.3530  6384.51    297.581  6440.71    422.499  6329.18    419.206  229.825 7.5764  227.826 7.5834  1.999573       10.71958 
1 1 1 -11 1   26 o 209.684 5.0177  5345.96    255.289  5421.45    362.901  5272.02    359.195  210.928 7.0907  207.997 7.1172  2.930664       10.04654 
1 1 1 -11 1   27 o 307.095 6.5891  11485.13   490.978  11759.46   696.411  11214.03   692.303  310.167 9.2535  302.847 9.4213  7.319946       13.20559 
1 1 1 -11 1   28 o 126.840 4.0446  1954.72    124.480  2000.69    178.273  1910.97    173.890  128.229 5.7297  125.322 5.7185  2.907356       8.095158 
1 1 1 -11 1   29 o 9.4262  4.6199  -71.4234   35.826   -7.7488    48.627   -147.0177  52.983   15.798  6.8521  10.221  5.1120  5.576241       8.548893 
1 1 1 -11 1   30 o 298.996 9.2252  10933.69   669.275  11256.66   982.131  10653.67   914.480  302.036 13.401  294.046 12.817  7.990326       18.54392 
1 1 1 -11 1   31 o 331.755 9.7497  13479.98   784.826  15100.35   1147.10  12053.93   1076.12  349.608 13.522  312.064 14.212  37.54401       19.61726 
1 1 1 -11 1   32 o 268.086 8.4634  8786.68    550.530  9397.17    817.444  8279.93    744.756  276.103 12.202  259.291 11.838  16.81168       17.00033 
1 1 1 -11 1   33 o 110.211 3.9713  1476.37    106.198  1485.32    152.173  1467.88    148.276  110.289 5.7060  109.652 5.5916  0.6370926      7.989045 
1 1 1 -11 1   34 o 137.293 4.2428  2292.36    141.340  2269.78    202.382  2313.85    197.477  136.439 6.1132  137.780 5.9070  -1.340866      8.500849 
1 1 1 -11 1   35 o 102.123 3.9220  1268.31    97.185   1359.86    139.136  1181.10    135.804  105.486 5.4547  98.251  5.7213  7.235100       7.904849 
1 1 1 -11 1   36 o 65.833  4.0676  529.428    64.657   528.788    92.295   530.044    90.605   65.553  5.8645  65.650  5.7458  -0.9674072E-01 8.210165 
1 1 1 -11 1   37 o 41.733  5.2901  215.937    52.366   267.534    79.583   176.540    69.542   46.133  7.3567  37.200  7.9460  8.933643       10.82861 
1 1 1 -11 1   38 o 44.413  4.8581  243.581    51.499   244.684    77.736   242.718    68.749   43.991  7.5549  44.002  6.6464  -0.1060867E-01 10.06232 
1 1 1 -11 1   39 o 109.865 4.0194  1471.47    107.150  1368.58    152.366  1572.15    150.713  105.484 5.9776  113.327 5.4809  -7.843491      8.109985 
1 1 1 -11 1   40 o 107.037 4.0183  1397.59    104.360  1393.22    149.364  1401.75    145.874  106.401 5.8074  106.767 5.6510  -0.3662643     8.103038 
1 1 1 -11 1   41 o 161.108 4.4881  3173.01    175.446  3192.65    250.402  3154.08    245.896  160.972 6.4110  160.027 6.3328  0.9455719      9.011377 
1 1 1 -11 1   42 o 118.021 5.6230  1711.93    161.025  1822.14    205.254  1535.52    259.672  121.138 7.0131  109.940 9.8383  11.19837       12.08206 
1 1 1 -11 1   43 o 50.458  5.8918  317.635    70.776   277.977    85.416   404.518    126.427  46.662  7.8208  55.902  9.6708  -9.239227      12.43742 
1 1 1 -11 1   44 o 28.771  5.9855  105.734    40.424   83.289     59.066   125.508    55.441   25.992  8.2985  31.165  7.4354  -5.172663      11.14230 
1 1 1 -11 1   45 o 40.898  5.6735  209.831    54.785   124.996    81.608   279.430    73.917   31.339  9.7207  47.053  6.6604  -15.71424      11.78356 
1 1 1 -11 1   46 o 100.793 4.2164  1243.99    103.118  1167.62    148.698  1314.74    143.124  96.888  6.3605  103.062 5.7462  -6.173820      8.571737 
1 1 1 -11 1   47 o 46.265  7.7701  275.145    84.134   377.896    190.512  250.250    93.774   51.859  14.549  43.649  9.1467  8.209927       17.18520 
1 1 1 -11 1   48 o 18.948  9.2592  -243.4433  140.745  -243.4433  140.745  0.0000     0.0000   18.948  9.2592  ?       ?       0.000000       9.259212 
1 1 1 -11 1   49 o 27.848  7.6597  101.057    53.374   140.477    74.652   59.833     76.341   32.590  9.0947  24.582  9.3136  8.007988       13.01755 
1 1 1 -11 1   50 o 54.769  4.8931  373.319    64.340   511.332    95.273   257.603    87.239   63.704  6.2440  44.262  8.4308  19.44196       10.49122 
1 1 1 -11 1   51 o 37.041  6.0983  175.637    52.901   93.613     78.608   243.537    71.521   27.673  9.5928  43.440  7.0252  -15.76751      11.89015 
1 1 1 -11 1   52 o 42.276  5.6191  226.412    56.213   252.372    80.606   201.834    78.433   43.863  7.8625  38.882  8.5466  4.981113       11.61301 
1 1 1 -11 1   53 o 11.925  5.6029  -41.4936   41.342   -25.6004   66.446   -51.5327   52.809   17.054  7.6698  13.494  6.3378  3.560047       9.949608 
1 1 1 -11 1   54 o 35.547  6.0076  162.247    49.970   159.898    59.255   168.032    92.976   34.900  7.2350  35.079  10.268  -0.1788292     12.56097 
1 1 1 -11 1   55 o 31.260  9.9662  129.300    85.215   0.0000     0.0000   129.300    85.215   ?       ?       31.260  9.9662  0.000000       9.966206 
1 1 1 -11 1   56 o 55.475  5.9243  389.327    78.511   366.786    87.432   483.180    178.407  53.442  6.9040  57.886  13.018  -4.444710      14.73523 
1 1 1 -11 1   57 o 38.001  6.2750  186.128    55.839   156.575    69.947   238.057    92.719   34.108  8.4862  41.831  9.3679  -7.723289      12.64013 
1 1 1 -11 1   58 o 56.550  5.2240  402.392    70.871   384.372    93.388   426.863    108.828  54.376  7.2594  56.897  8.1127  -2.520443      10.88644 
1 1 1 -11 2   1  o 137.539 5.2600  2296.60    175.541  2431.32    248.234  2161.85    248.271  141.285 7.2657  133.167 7.7167  8.117569       10.59890 
1 1 1 -11 2   2  o 182.141 4.5160  4026.88    199.584  4087.18    281.548  3965.97    282.967  183.455 6.3250  180.711 6.4534  2.744324       9.036130 
1 1 1 -11 2   3  o 480.601 9.6910  28087.10   1130.10  28480.64   1597.28  27692.65   1599.13  483.412 13.618  476.644 13.827  6.767853       19.40671 
1 1 1 -11 2   4  o 345.578 10.164  14525.41   852.273  14619.77   1224.71  14436.80   1186.78  346.236 14.578  344.107 14.214  2.129333       20.36051 
1 1 1 -11 2   5  f 335.991 10.037  13729.74   818.262  13174.92   1176.78  14249.10   1138.56  328.661 14.757  341.920 13.724  -13.25870      20.15172 
1 1 1 -11 2   6  o 466.580 13.298  26526.26   1505.47  26350.70   2149.86  26695.19   2108.83  463.965 19.097  467.093 18.607  -3.128357      26.66285 
1 1 1 -11 2   7  o 197.801 6.6527  4751.91    319.293  5162.29    472.800  4407.83    432.927  206.050 9.4567  190.402 9.3708  15.64757       13.31325 
1 1 1 -11 2   8  o 142.037 4.5891  2448.87    158.157  2433.65    197.680  2475.95    263.636  141.573 5.7546  142.548 7.6501  -0.9752045     9.572863 
1 1 1 -11 2   9  o 716.982 13.974  62677.30   2431.08  64426.11   3438.26  60928.89   3437.86  725.199 19.540  705.045 20.096  20.15405       28.02934 
1 1 1 -11 2   10 o 449.408 9.0357  24555.07   985.297  24895.99   1393.53  24214.26   1393.31  452.048 12.705  445.789 12.881  6.258301       18.09242 
1 1 1 -11 2   11 o 606.763 11.961  44837.27   1760.91  44128.59   2490.22  45546.04   2490.40  600.753 17.084  610.400 16.815  -9.646362      23.97045 
1 1 1 -11 2   12 o 654.404 12.876  52195.10   2044.44  50186.44   2891.07  54204.33   2891.48  640.083 18.615  665.450 17.908  -25.36652      25.83014 
1 1 1 -11 2   13 o 482.054 9.7895  28271.31   1145.03  27835.09   1619.08  28707.80   1619.57  477.626 13.971  485.097 13.760  -7.471191      19.60881 
1 1 1 -11 2   14 o 12.401  5.5424  -15.1285   34.118   -43.0064   48.594   11.976     47.915   13.442  6.2354  17.395  7.1245  -3.953001      9.467803 
1 1 1 -11 2   15 o 367.085 7.5304  16379.52   670.730  16033.52   948.299  16725.89   948.812  362.823 10.772  370.603 10.551  -7.780518      15.07851 
1 1 1 -11 2   16 o 202.564 4.8542  4982.47    238.583  5196.25    337.475  4768.87    337.341  206.780 6.7262  198.079 7.0189  8.701141       9.721429 
1 1 1 -11 2   17 o 150.279 4.1524  2741.92    151.413  2689.40    214.301  2794.27    213.959  148.776 5.9365  151.653 5.8145  -2.877579      8.309665 
1 1 1 -11 2   18 o 30.508  5.7418  116.818    40.944   139.858    57.962   93.869     57.846   33.259  7.3758  27.559  8.1083  5.699409       10.96116 
1 1 1 -11 2   19 o 341.451 7.3224  14188.75   606.660  14029.25   858.490  14347.85   857.406  338.983 10.437  342.837 10.307  -3.854401      14.66884 
1 1 1 -11 2   20 o 121.168 3.9168  1783.03    115.155  1827.61    163.085  1738.71    162.624  122.613 5.4817  119.588 5.6045  3.024841       7.839576 
1 1 1 -11 2   21 o 167.755 6.1096  3423.94    248.689  3215.01    333.517  3685.58    373.222  162.120 8.5082  173.547 8.8930  -11.42644      12.30748 
1 1 1 -11 2   22 o 299.639 9.2439  10971.33   672.076  11506.24   929.105  10384.25   973.358  305.943 12.516  290.227 13.822  15.71573       18.64657 
1 1 1 -11 2   23 o 152.844 5.8733  2842.93    217.817  2711.15    290.280  3012.75    329.517  148.842 8.0678  156.820 8.6939  -7.977753      11.86058 
1 1 1 -11 2   24 o 168.301 4.4749  3442.59    182.741  3496.49    259.705  3389.74    257.183  169.463 6.3160  166.853 6.3525  2.610382       8.958017 
1 1 1 -11 2   25 o 250.423 5.6436  7629.60    342.921  7846.03    486.708  7416.24    483.236  253.607 7.9094  246.534 8.0783  7.073181       11.30563 
1 1 1 -11 2   26 o 305.511 6.6071  11367.22   489.777  11664.43   694.366  11072.92   690.945  308.908 9.2639  300.924 9.4629  7.983307       13.24258 
1 1 1 -11 2   27 o 43.810  4.7062  235.989    49.244   266.380    70.417   206.901    68.891   46.334  6.4373  40.597  7.2602  5.737389       9.703053 
1 1 1 -11 2   28 o 78.133  3.8843  741.648    73.640   671.077    105.976  807.539    102.401  74.018  5.9510  81.319  5.2173  -7.301292      7.914240 
1 1 1 -11 2   29 o 162.517 6.3613  3216.43    250.848  3429.22    391.714  3068.51    326.601  167.115 9.7020  158.271 8.5361  8.843338       12.92264 
1 1 1 -11 2   30 o 106.988 5.7908  1397.29    149.769  1458.33    254.266  1364.87    185.331  108.710 9.7429  105.546 7.2813  3.164352       12.16310 
1 1 1 -11 2   31 o 259.376 8.4454  8222.70    531.511  8035.81    788.621  8378.26    719.471  255.214 12.735  261.040 11.359  -5.825729      17.06486 
1 1 1 -11 2   32 o 145.503 4.3161  2573.91    152.379  2553.62    218.173  2593.23    212.917  144.764 6.2112  145.903 6.0143  -1.138412      8.645830 
1 1 1 -11 2   33 o 217.689 5.2519  5769.33    277.407  5877.23    395.168  5664.50    389.519  219.334 7.4253  215.322 7.4555  4.012085       10.52232 
1 1 1 -11 2   34 o 37.022  5.2482  170.241    45.825   102.351    66.461   231.767    63.269   28.807  8.7429  43.150  6.2229  -14.34269      10.73137 
1 1 1 -11 2   35 o 132.348 4.2197  2131.58    135.508  2090.35    194.387  2170.55    189.000  130.840 6.1230  133.365 5.8406  -2.525177      8.461888 
1 1 1 -11 2   36 o 87.715  3.8863  936.310    82.714   963.832    118.852  910.459    115.185  88.682  5.5513  86.184  5.5374  2.497849       7.840923 
1 1 1 -11 2   37 o 102.663 4.2968  1284.37    107.034  1279.32    169.253  1287.74    138.171  101.882 6.8870  102.493 5.5769  -0.6109238     8.861871 
1 1 1 -11 2   38 o 84.572  4.2607  874.336    87.152   870.142    136.757  877.203    113.090  83.887  6.7767  84.490  5.5472  -0.6036911     8.757558 
1 1 1 -11 2   39 o 12.115  5.4357  -15.3497   33.156   -56.2563   46.723   26.147     47.059   12.304  5.8338  18.541  7.2368  -6.236221      9.295403 
1 1 1 -11 2   40 f 77.429  4.0427  733.607    75.688   812.366    109.583  661.760    104.664  81.183  5.5972  73.156  5.9479  8.027695       8.167399 
1 1 1 -11 2   41 o 90.051  5.3379  998.366    116.113  991.658    144.651  1010.52    194.700  89.369  6.7199  89.383  9.1044  -0.1418304E-01 11.31580 
1 1 1 -11 2   42 o 54.991  5.6513  375.642    74.333   350.687    89.249   432.152    134.304  52.738  7.1596  57.752  9.9429  -5.014153      12.25244 
1 1 1 -11 2   43 o 110.617 5.4408  1504.32    146.033  1393.19    183.735  1694.92    240.633  105.702 7.2068  115.986 8.6119  -10.28358      11.22951 
1 1 1 -11 2   44 o 122.104 4.3635  1825.14    129.279  1892.73    184.830  1760.41    180.890  123.799 6.1531  119.196 6.2766  4.603264       8.789527 
1 1 1 -11 2   45 o 66.345  4.5093  541.908    72.160   561.994    107.623  525.503    97.261   66.990  6.7113  64.893  6.2544  2.097206       9.173888 
1 1 1 -11 2   46 f 51.414  5.1166  328.369    62.982   366.226    90.675   293.077    87.548   53.770  7.1255  47.796  7.8195  5.974213       10.57905 
1 1 1 -11 2   47 o 44.831  15.016  274.260    192.319  274.260    192.319  0.0000     0.0000   44.831  15.016  ?       ?       0.000000       15.01625 
1 1 1 -11 2   48 o 53.510  15.905  419.012    221.653  419.012    221.653  0.0000     0.0000   53.510  15.905  ?       ?       0.000000       15.90536 
1 1 1 -11 2   49 o 84.389  4.4294  878.703    90.381   906.317    129.105  852.164    126.569  84.989  6.3056  82.364  6.3831  2.625008       8.972420 
1 1 1 -11 2   50 o 78.874  4.3968  768.670    83.812   808.787    119.803  730.215    117.293  80.207  6.2042  76.098  6.4121  4.108604       8.922253 
1 1 1 -11 2   51 o 53.102  5.0961  352.734    64.855   400.251    94.645   310.671    89.049   55.827  7.1515  48.837  7.7754  6.989483       10.56412 
1 1 1 -11 2   52 o 34.460  6.5783  154.144    52.997   78.452     76.200   225.063    73.758   26.020  9.4043  41.436  7.6168  -15.41618      12.10194 
1 1 1 -11 2   53 o 34.489  8.0039  158.294    65.687   122.308    81.723   223.980    110.412  30.475  9.7645  40.084  11.013  -9.608410      14.71862 
1 1 1 -11 2   54 o 38.975  9.9515  208.111    94.439   0.0000     0.0000   208.111    94.439   ?       ?       38.975  9.9515  0.000000       9.951541 
1 1 1 -11 2   55 o 21.374  10.031  -107.4988  131.834  0.0000     0.0000   -107.4988  131.834  ?       ?       21.374  10.031  0.000000       10.03062 
1 1 1 -11 2   56 o 22.555  7.8448  60.298     52.591   60.298     52.591   0.0000     0.0000   22.555  7.8448  ?       ?       0.000000       7.844763 
1 1 1 -11 2   57 o 27.898  7.0394  102.908    47.651   77.822     56.621   163.809    88.221   24.780  8.1421  34.507  9.9739  -9.726862      12.87527 
1 1 1 -11 3   1  o 88.668  3.4976  954.120    75.250   962.279    105.649  945.718    107.207  88.897  4.9171  88.119  5.0350  0.7786789      7.037638 
1 1 1 -11 3   2  o 127.974 3.8809  1987.64    120.510  2102.68    170.000  1871.44    170.857  131.603 5.3238  124.150 5.6718  7.453064       7.778925 
1 1 1 -11 3   3  o 469.128 12.960  26811.83   1475.26  29765.31   2106.43  23968.45   2066.80  493.428 17.594  442.448 19.252  50.98065       26.08015 
1 1 1 -11 3   4  o 198.217 6.6142  4771.87    318.115  5319.31    468.859  4304.88    433.037  209.171 9.2380  187.919 9.5282  21.25194       13.27131 
1 1 1 -11 3   5  o 485.362 13.344  28706.79   1571.53  32073.70   2242.47  25457.31   2203.02  512.102 18.047  455.835 19.918  56.26648       26.87792 
1 1 1 -11 3   6  o 134.853 5.5877  2207.99    182.834  2097.27    277.124  2293.32    243.299  131.063 8.7648  137.201 7.3349  -6.138138      11.42905 
1 1 1 -11 3   7  o 91.932  3.6303  1025.68    80.979   1040.82    114.355  1010.45    114.688  92.451  5.1177  91.082  5.2111  1.369041       7.303812 
1 1 1 -11 3   8  o 88.776  3.5936  956.454    77.408   929.818    109.903  982.676    109.045  87.360  5.2085  89.830  5.0230  -2.470268      7.235953 
1 1 1 -11 3   9  o 441.599 9.0312  23709.07   967.695  23724.50   1368.73  23693.64   1368.32  441.272 12.783  440.984 12.788  0.2877502      18.08172 
1 1 1 -11 3   10 o 324.112 7.7483  12765.03   609.346  13545.89   1041.41  12358.52   751.398  333.406 12.873  318.763 9.7149  14.64377       16.12755 
1 1 1 -11 3   11 o 388.940 7.8430  18383.95   740.163  18391.22   1046.53  18376.66   1046.96  388.685 11.097  388.530 11.106  0.1549377      15.69938 
1 1 1 -11 3   12 o 379.874 7.7975  17538.05   718.718  17546.42   1016.59  17529.68   1016.25  379.629 11.036  379.448 11.038  0.1813660      15.60876 
1 1 1 -11 3   13 o 255.212 5.6358  7909.73    348.996  7658.64    493.588  8160.75    493.523  250.998 8.1046  259.111 7.8498  -8.113403      11.28287 
1 1 1 -11 3   14 o 297.825 6.5660  10776.52   474.492  10657.97   670.922  10895.14   671.143  295.965 9.3426  299.250 9.2431  -3.284119      13.14225 
1 1 1 -11 3   15 o 85.455  3.6245  886.383    75.154   894.588    107.278  878.475    105.316  85.672  5.1851  84.898  5.1367  0.7742157      7.298698 
1 1 1 -11 3   16 o 189.361 4.7779  4354.34    219.526  4419.08    310.257  4289.43    310.657  190.676 6.7060  187.852 6.8155  2.823639       9.561469 
1 1 1 -11 3   17 o 333.077 7.0931  13491.71   573.252  13253.80   810.511  13729.85   810.890  329.716 10.131  335.613 9.9577  -5.896912      14.20543 
1 1 1 -11 3   18 o 170.623 4.6151  3536.07    191.065  3649.50    270.546  3423.23    269.868  173.241 6.4362  167.773 6.6293  5.468140       9.239656 
1 1 1 -11 3   19 o 289.244 6.2850  10175.68   441.094  10015.92   624.002  10335.25   623.601  286.588 8.9736  291.145 8.8274  -4.556854      12.58762 
1 1 1 -11 3   20 o 420.801 12.225  21718.90   1248.18  21863.78   1741.53  21565.88   1789.86  420.028 17.088  416.839 17.696  3.189117       24.60002 
1 1 1 -11 3   21 o 183.560 6.6380  4102.59    295.652  4437.07    398.197  3691.69    441.357  190.661 8.6074  173.338 10.544  17.32365       13.61106 
1 1 1 -11 3   22 o 277.554 8.6948  9408.45    585.562  9763.65    806.250  9011.94    851.848  281.963 11.785  270.543 12.977  11.41980       17.52909 
1 1 1 -11 3   23 o 139.029 5.6941  2351.90    192.087  2271.56    254.495  2458.25    292.822  136.251 7.7298  141.624 8.5615  -5.372864      11.53468 
1 1 1 -11 3   24 o 105.137 3.8179  1342.80    97.396   1298.99    138.510  1385.65    136.980  103.185 5.5526  106.739 5.2890  -3.553177      7.668468 
1 1 1 -11 3   25 o 51.323  4.2287  322.235    52.192   372.720    74.660   273.984    72.989   55.060  5.6695  46.980  6.5838  8.080090       8.688425 
1 1 1 -11 3   26 o 222.682 5.2834  6030.83    285.474  6035.67    405.520  6026.08    401.946  222.491 7.5117  222.323 7.4511  0.1679230      10.58035 
1 1 1 -11 3   27 o 24.762  6.5623  77.323     40.062   89.368     59.156   67.120     54.448   27.033  8.2582  24.089  7.9877  2.943562       11.48921 
1 1 1 -11 3   28 o 95.749  3.8665  1113.78    89.828   1002.34    129.067  1218.48    125.097  90.558  5.9062  99.960  5.1754  -9.402306      7.852921 
1 1 1 -11 3   29 o 107.013 5.7159  1397.64    147.881  1668.76    249.954  1251.64    183.428  116.504 8.9096  101.019 7.5376  15.48495       11.67034 
1 1 1 -11 3   30 o 237.619 7.8846  6893.42    454.598  7005.02    679.998  6803.24    611.275  238.623 11.744  235.438 10.700  3.185181       15.88796 
1 1 1 -11 3   31 o 122.405 5.8003  1824.46    172.273  2436.50    287.268  1480.73    215.280  140.919 8.4403  109.783 8.1397  31.13553       11.72575 
1 1 1 -11 3   32 o 281.549 6.2672  9662.79    428.144  9830.33    608.264  9498.28    602.748  283.313 8.8483  278.466 8.9207  4.847534       12.56471 
1 1 1 -11 3   33 o 93.619  3.9510  1065.60    89.750   1047.57    129.934  1082.04    124.117  92.528  5.8170  94.091  5.4600  -1.562546      7.978023 
1 1 1 -11 3   34 o 79.256  3.9428  763.977    75.822   880.513    110.280  659.501    104.418  84.826  5.3860  73.287  5.9226  11.53830       8.005354 
1 1 1 -11 3   35 o 202.086 5.0487  4978.71    247.562  5041.29    352.972  4918.13    347.309  202.853 7.1713  200.367 7.1437  2.485672       10.12225 
1 1 1 -11 3   36 o 68.927  4.2919  580.989    71.423   569.969    113.729  588.164    91.780   67.817  7.0127  69.176  5.5138  -1.358337      8.920785 
1 1 1 -11 3   37 o 14.118  6.0159  -0.2440    36.239   45.947     54.037   -37.9982   48.853   21.519  7.8977  13.715  6.3232  7.803410       10.11707 
1 1 1 -11 3   38 o 34.792  5.4114  151.587    44.199   181.430    63.390   123.351    61.660   37.775  7.1784  31.011  8.1044  6.763712       10.82643 
1 1 1 -11 3   39 o 64.748  4.1227  513.641    64.433   596.815    91.773   432.789    90.483   69.568  5.4812  58.973  6.4275  10.59496       8.447248 
1 1 1 -11 3   40 o 122.333 4.1506  1827.65    123.201  1793.67    176.072  1860.24    172.449  120.756 6.0093  123.040 5.7763  -2.284477      8.335280 
1 1 1 -11 3   41 o 27.573  7.7363  97.234     53.865   91.624     61.665   115.301    110.652  27.118  8.4561  31.864  11.354  -4.746752      14.15680 
1 1 1 -11 3   42 o 67.098  5.4702  556.974    88.284   580.172    107.239  508.187    155.516  68.208  6.5606  62.424  10.650  5.784416       12.50814 
1 1 1 -11 3   43 o 77.900  4.0497  743.778    76.282   777.513    109.464  711.928    106.361  79.256  5.7308  75.795  5.8280  3.460159       8.173577 
1 1 1 -11 3   44 o 30.448  7.3942  119.967    54.083   76.987     77.589   160.583    75.426   26.442  9.4983  35.047  8.8638  -8.604240      12.99168 
1 1 1 -11 3   45 o 61.560  4.7282  467.844    70.086   533.214    100.123  405.039    98.139   65.298  6.4017  56.553  7.3239  8.744766       9.727362 
1 1 1 -11 3   46 o 52.307  15.067  387.540    201.632  387.540    201.632  0.0000     0.0000   52.307  15.067  ?       ?       0.000000       15.06684 
1 1 1 -11 3   47 o 105.825 12.222  1502.29    308.058  1502.29    308.058  0.0000     0.0000   105.825 12.222  ?       ?       0.000000       12.22206 
1 1 1 -11 3   48 o 54.832  5.3968  375.603    70.872   487.841    95.377   237.226    105.902  62.216  6.4097  41.854  10.458  20.36196       12.26584 
1 1 1 -11 3   49 o 55.397  4.9159  382.058    65.391   366.220    93.091   397.486    91.875   53.391  7.3834  55.835  6.9305  -2.444069      10.12651 
1 1 1 -11 3   50 o 62.956  4.8592  493.102    73.653   541.745    106.161  447.960    102.271  65.257  6.8048  59.078  7.2890  6.178371       9.971706 
1 1 1 -11 3   51 o 14.343  6.5476  -29.7391   50.662   70.053     182.365  -38.0846   52.737   32.271  13.611  14.207  6.5567  18.06445       15.10803 
1 1 1 -11 3   52 o 12.874  5.9025  -27.3430   41.766   81.430     65.734   -100.9841  54.087   25.705  8.7782  11.640  5.6991  14.06414       10.46593 
1 1 1 -11 3   53 o 83.685  4.4364  867.280    89.760   807.081    119.524  945.143    135.933  79.942  6.2107  86.367  6.5350  -6.424538      9.015437 
1 1 1 -11 3   54 o 93.641  6.6115  1110.83    149.255  0.0000     0.0000   1110.83    149.255  ?       ?       93.641  6.6115  0.000000       6.611472 
1 1 1 -11 3   55 o 17.781  7.1854  20.211     47.965   20.211     47.965   0.0000     0.0000   17.781  7.1854  ?       ?       0.000000       7.185352 
1 1 1 -11 3   56 o 15.448  6.1615  16.605     34.777   21.622     35.854   -63.1580   142.962  16.208  6.3194  23.822  10.921  -7.614386      12.61781 
1 1 1 -11 3   57 o 15.758  6.4673  12.770     39.585   12.749     44.478   12.849     86.810   16.503  6.8229  21.744  9.2892  -5.241600      11.52571 
1 1 1 -11 4   1  o 153.454 4.7367  2858.51    176.368  2964.36    219.155  2663.94    297.121  156.248 5.7806  147.819 8.3178  8.429245       10.12922 
1 1 1 -11 4   2  o 266.054 8.1301  8601.99    524.841  9302.12    759.866  7963.25    725.782  276.453 11.328  255.758 11.695  20.69492       16.28201 
1 1 1 -11 4   3  o 395.477 11.521  19038.19   1105.52  18510.50   1582.89  19540.72   1544.68  389.235 16.760  400.058 15.913  -10.82339      23.11106 
1 1 1 -11 4   4  o 401.320 11.683  19606.81   1137.66  19003.26   1628.90  20181.60   1589.61  394.337 17.024  406.532 16.115  -12.19513      23.44166 
1 1 1 -11 4   5  o 264.996 8.2026  8533.99    527.421  8723.77    765.910  8362.83    727.356  267.684 11.792  262.116 11.436  5.568848       16.42695 
1 1 1 -11 4   6  o 164.693 4.3487  3292.27    173.779  3441.05    245.186  3142.08    246.340  168.337 6.0028  160.850 6.3117  7.487015       8.710423 
1 1 1 -11 4   7  o 105.882 4.1333  1360.74    106.189  1370.21    174.085  1355.13    134.007  105.993 6.8049  105.650 5.2275  0.3425980      8.581007 
1 1 1 -11 4   8  o 253.251 5.5792  7787.40    342.839  7995.29    484.470  7578.87    485.227  256.510 7.7839  249.729 8.0078  6.780930       11.16754 
1 1 1 -11 4   9  o 601.473 11.834  44055.73   1727.04  43915.79   2442.15  44195.73   2442.66  599.377 16.792  601.297 16.742  -1.920837      23.71237 
1 1 1 -11 4   10 o 540.831 10.518  35595.22   1380.27  34723.75   1951.72  36467.18   1952.28  533.307 15.083  546.613 14.720  -13.30603      21.07492 
1 1 1 -11 4   11 o 495.204 9.7972  29833.93   1177.20  28887.46   1664.80  30780.42   1664.82  486.562 14.101  502.340 13.659  -15.77805      19.63167 
1 1 1 -11 4   12 o 529.065 10.493  34073.26   1347.08  32341.59   1905.11  35804.74   1905.00  514.483 15.261  541.515 14.498  -27.03198      21.05006 
1 1 1 -11 4   13 o 388.780 7.9302  18375.48   748.087  17980.36   1057.74  18770.90   1058.16  384.163 11.348  392.552 11.109  -8.388733      15.88037 
1 1 1 -11 4   14 o 412.017 8.6062  20649.60   860.379  21007.38   1217.05  20292.15   1216.47  415.040 12.085  407.877 12.292  7.162994       17.23763 
1 1 1 -11 4   15 o 118.477 3.8558  1703.97    110.843  1892.52    157.269  1517.85    156.249  124.830 5.1923  111.629 5.7886  13.20148       7.776083 
1 1 1 -11 4   16 o 235.761 5.3514  6752.31    306.130  6895.01    433.159  6609.92    432.707  238.088 7.4980  233.102 7.6504  4.986465       10.71208 
1 1 1 -11 4   17 o 200.574 4.9144  4886.98    239.171  4987.58    338.251  4786.39    338.226  202.503 6.8841  198.366 7.0271  4.136902       9.837189 
1 1 1 -11 4   18 o 133.027 3.9673  2149.00    128.056  2164.38    181.726  2133.83    180.478  133.437 5.6128  132.492 5.6140  0.9448853      7.938504 
1 1 1 -11 4   19 o 318.458 6.8687  12344.96   530.748  12616.03   750.825  12074.22   750.357  321.418 9.6273  314.395 9.8362  7.022675       13.76358 
1 1 1 -11 4   20 o 228.641 7.4240  6370.16    411.864  6171.37    560.454  6603.56    607.288  224.593 10.284  232.229 10.777  -7.635681      14.89703 
1 1 1 -11 4   21 o 337.983 10.224  13984.80   838.462  14537.65   1161.63  13383.50   1211.47  343.270 13.947  328.855 15.183  14.41412       20.61591 
1 1 1 -11 4   22 o 73.391  5.3744  658.650    95.040   714.329    119.109  561.077    157.674  76.314  6.4942  66.987  10.008  9.327660       11.93011 
1 1 1 -11 4   23 o 68.902  3.7417  578.383    62.321   496.721    88.205   659.786    88.065   63.632  5.7758  73.497  4.9674  -9.865158      7.618054 
1 1 1 -11 4   24 o 84.684  3.7799  871.132    77.669   845.382    109.453  897.249    110.231  83.189  5.4527  85.726  5.3257  -2.537399      7.622016 
1 1 1 -11 4   25 o 96.428  3.8056  1129.52    89.040   1224.60    126.711  1036.78    125.147  100.211 5.2293  92.143  5.6244  8.067924       7.679799 
1 1 1 -11 4   26 o 163.352 4.4765  3243.15    177.429  3295.68    252.939  3192.26    248.954  164.522 6.3362  161.920 6.3366  2.601959       8.961015 
1 1 1 -11 4   27 o 230.997 5.3121  6490.42    297.740  6790.21    423.079  6196.28    419.084  235.986 7.3888  225.387 7.6632  10.59946       10.64509 
1 1 1 -11 4   28 o 81.170  5.7636  805.859    112.777  838.051    202.583  791.403    135.759  82.056  10.409  80.274  7.0411  1.782417       12.56676 
1 1 1 -11 4   29 o 145.288 6.0683  2570.31    213.924  2914.49    342.070  2349.24    274.150  154.078 9.1916  138.453 8.1971  15.62515       12.31578 
1 1 1 -11 4   30 o 143.949 6.0727  2523.80    212.107  2983.16    340.396  2232.24    271.193  155.876 9.0388  134.895 8.3262  20.98071       12.28922 
1 1 1 -11 4   31 o 162.356 4.5280  3205.57    178.378  3289.39    255.172  3125.46    249.453  164.269 6.4020  160.121 6.4206  4.147842       9.066932 
1 1 1 -11 4   32 o 13.649  5.9103  -5.2400    36.061   -30.5875   52.954   16.680     49.243   14.949  6.7734  17.997  7.2778  -3.047978      9.942060 
1 1 1 -11 4   33 o 11.320  5.2433  -29.3382   34.182   2.3491     53.282   -51.5002   44.560   17.350  7.3396  12.168  5.7477  5.182269       9.322336 
1 1 1 -11 4   34 o 46.028  4.6566  260.637    51.291   311.274    74.535   215.091    70.689   50.095  6.2694  41.310  7.3203  8.784405       9.638017 
1 1 1 -11 4   35 o 27.343  6.3601  95.118     41.400   109.716    60.039   81.884     57.165   29.421  8.1368  25.935  8.1507  3.486435       11.51698 
1 1 1 -11 4   36 o 73.790  4.2715  665.773    76.151   658.000    120.616  670.925    98.197   72.900  6.9011  73.884  5.5173  -0.9843445     8.835447 
1 1 1 -11 4   37 o 67.645  4.1624  560.008    67.988   572.322    97.044   548.139    95.279   68.087  5.9334  66.618  5.9573  1.469002       8.408052 
1 1 1 -11 4   38 o 89.785  4.0634  983.345    88.524   896.407    124.368  1072.62    126.031  85.236  6.0528  93.385  5.5877  -8.148796      8.237661 
1 1 1 -11 4   39 o 115.330 4.2007  1624.25    117.553  1598.58    165.854  1650.17    166.638  113.872 6.0241  115.720 5.9549  -1.848427      8.470582 
1 1 1 -11 4   40 o 40.980  6.6669  212.463    64.014   265.534    74.531   63.219     124.985  45.859  6.9128  29.242  11.675  16.61707       13.56821 
1 1 1 -11 4   41 o 54.446  5.8238  368.917    75.744   456.145    91.093   173.491    136.347  60.486  6.2992  37.378  12.643  23.10824       14.12541 
1 1 1 -11 4   42 o 77.053  5.4576  733.611    101.376  807.890    124.063  584.355    175.863  80.614  6.3951  66.732  11.262  13.88205       12.95111 
1 1 1 -11 4   43 o 63.297  4.8771  494.439    74.327   506.331    102.337  481.164    108.129  63.580  6.7362  61.775  7.3586  1.804203       9.976265 
1 1 1 -11 4   44 o 126.537 4.4434  1962.29    136.426  1964.02    192.149  1960.53    193.733  125.959 6.2870  125.661 6.3747  0.2976151      8.953435 
1 1 1 -11 4   45 o 60.145  6.9027  455.940    98.911   455.940    98.911   0.0000     0.0000   60.145  6.9027  ?       ?       0.000000       6.902657 
1 1 1 -11 4   46 o 75.238  13.805  783.562    242.726  783.562    242.726  0.0000     0.0000   75.238  13.805  ?       ?       0.000000       13.80453 
1 1 1 -11 4   47 o 60.434  6.9021  462.757    99.395   559.382    216.656  436.999    111.862  62.525  14.553  58.233  8.1392  4.292004       16.67481 
1 1 1 -11 4   48 o 25.515  7.5212  83.926     49.730   94.166     79.030   77.213     63.985   27.846  9.6204  25.317  8.6606  2.529072       12.94443 
1 1 1 -11 4   49 o 42.016  6.2197  225.177    61.493   -0.0116    199.190  248.899    64.651   30.742  13.585  44.221  6.1954  -13.47870      14.93103 
1 1 1 -11 4   50 o 75.710  5.8471  720.102    106.580  882.232    256.276  686.196    117.196  78.141  14.032  73.534  6.6401  4.607727       15.52396 
1 1 1 -11 4   51 o 27.425  7.7665  99.047     54.025   176.785    81.282   37.524     72.310   36.117  9.2381  22.136  8.8655  13.98115       12.80384 
1 1 1 -11 4   52 o 81.171  5.0862  821.458    99.669   780.943    124.708  893.093    165.825  78.412  6.6165  82.816  8.3669  -4.404701      10.66692 
1 1 1 -11 4   53 o 20.073  8.7852  -7.4953    81.475   0.0000     0.0000   -7.4953    81.475   ?       ?       20.073  8.7852  0.000000       8.785194 
1 1 1 -11 4   54 o 19.138  7.1195  37.271     44.178   47.985     46.159   -79.5706   152.431  20.611  7.3343  24.193  11.159  -3.582405      13.35355 
1 1 1 -11 4   55 o 26.190  7.8702  89.635     54.051   89.635     54.051   0.0000     0.0000   26.190  7.8702  ?       ?       0.000000       7.870181 
1 1 1 -11 4   56 f 47.959  5.4010  290.796    61.757   222.501    74.807   436.943    109.432  40.968  7.8105  57.660  8.0405  -16.69177      11.20957 
1 1 1 -11 5   1  o 691.507 19.014  58556.43   3190.24  61763.77   4528.22  55395.52   4495.32  707.160 26.390  669.115 27.688  38.04510       38.25039 
1 1 1 -11 5   2  o 162.675 8.2078  3224.23    322.928  0.0000     0.0000   3224.23    322.928  ?       ?       162.675 8.2078  0.000000       8.207768 
1 1 1 -11 5   3  f 148.131 5.7768  2664.38    207.633  2622.66    310.596  2698.08    279.185  146.623 8.7705  148.812 7.7588  -2.188477      11.70989 
1 1 1 -11 5   4  f 180.140 6.5052  3941.20    284.340  3412.71    421.222  4383.62    385.397  167.162 10.437  189.915 8.3635  -22.75305      13.37478 
1 1 1 -11 5   5  o 701.046 13.763  59917.71   2341.08  60315.82   3310.30  59519.38   3311.29  701.666 19.443  696.970 19.580  4.695740       27.59410 
1 1 1 -11 5   6  o 319.759 6.8479  12419.76   531.309  12613.48   750.891  12225.53   751.879  322.052 9.6092  317.047 9.7737  5.004547       13.70630 
1 1 1 -11 5   7  o 240.640 5.5501  7031.15    324.067  7332.63    457.764  6728.25    458.838  245.653 7.6799  235.294 8.0368  10.35890       11.11627 
1 1 1 -11 5   8  o 412.793 8.3121  20711.66   832.544  20486.55   1176.72  20937.27   1178.07  410.149 11.824  414.651 11.709  -4.502502      16.64069 
1 1 1 -11 5   9  o 265.062 5.8201  8531.84    374.319  8274.61    528.872  8790.02    529.863  260.905 8.3542  268.922 8.1203  -8.017426      11.65041 
1 1 1 -11 5   10 o 321.075 6.8306  12523.86   532.144  13053.98   752.354  11993.14   752.777  327.595 9.4650  313.965 9.8815  13.62997       13.68320 
1 1 1 -11 5   11 o 298.466 6.4758  10821.40   468.978  10286.94   662.396  11358.58   664.077  290.797 9.3878  305.605 8.9556  -14.80869      12.97435 
1 1 1 -11 5   12 o 280.760 6.0628  9574.78    413.021  9468.77    583.282  9681.38    584.921  279.030 8.6151  282.151 8.5438  -3.120911      12.13331 
1 1 1 -11 5   13 o 263.718 5.7091  8447.26    365.318  8352.86    515.820  8542.27    517.460  262.086 8.1113  265.046 8.0462  -2.959686      11.42518 
1 1 1 -11 5   14 o 519.392 10.226  32863.74   1288.71  32449.00   1822.67  33278.35   1822.36  515.008 14.586  521.604 14.399  -6.595398      20.49570 
1 1 1 -11 5   15 o 397.777 8.0115  19251.57   773.244  18938.33   1093.58  19564.77   1093.49  393.938 11.441  400.438 11.254  -6.500305      16.04835 
1 1 1 -11 5   16 o 234.251 5.4730  6667.62    311.079  7030.81    440.440  6306.11    439.426  240.377 7.5514  227.615 7.9565  12.76225       10.96951 
1 1 1 -11 5   17 o 300.485 6.4510  10981.58   470.345  11173.25   665.544  10790.36   664.792  302.729 9.0606  297.473 9.2103  5.256531       12.91995 
1 1 1 -11 5   18 o 66.396  4.2131  537.633    67.522   585.792    86.860   464.084    107.341  69.227  5.2092  61.299  7.3643  7.928780       9.020478 
1 1 1 -11 5   19 o 173.058 6.4979  3645.40    272.852  4059.02    365.351  3123.78    410.289  182.428 8.2538  159.408 10.669  23.02013       13.48910 
1 1 1 -11 5   20 o 156.980 6.1485  2999.37    234.195  3277.25    311.525  2638.21    355.148  163.926 7.8322  146.494 10.052  17.43156       12.74321 
1 1 1 -11 5   21 o 123.771 5.5305  1863.68    166.091  1861.18    216.817  1867.22    258.393  123.352 7.2763  123.339 8.6896  0.1246643E-01  11.33375 
1 1 1 -11 5   22 o 167.145 4.4923  3395.61    182.189  3432.92    257.631  3358.28    257.678  167.911 6.3235  166.068 6.3948  1.842331       8.993310 
1 1 1 -11 5   23 o 104.132 3.7747  1317.22    95.373   1391.82    135.948  1244.93    133.833  106.977 5.2374  101.016 5.4807  5.961555       7.580837 
1 1 1 -11 5   24 o 113.492 3.9114  1564.79    107.710  1667.22    152.994  1464.13    151.665  117.076 5.3857  109.547 5.7257  7.528877       7.860652 
1 1 1 -11 5   25 o 104.258 3.9802  1320.61    100.688  1302.02    141.078  1339.91    143.748  103.295 5.6503  104.788 5.6747  -1.493752      8.007999 
1 1 1 -11 5   26 o 156.447 4.4877  2974.86    170.354  2770.02    241.109  3179.05    240.726  150.803 6.5893  161.597 6.1394  -10.79315      9.006147 
1 1 1 -11 5   27 o 240.241 8.0191  7044.64    467.452  6796.71    693.961  7250.57    632.464  234.734 12.226  243.150 10.720  -8.415771      16.26055 
1 1 1 -11 5   28 o 101.938 6.0886  1269.74    149.908  1435.18    239.869  1163.71    192.028  107.924 9.2493  97.277  8.2124  10.64745       12.36901 
1 1 1 -11 5   29 f 21.348  9.0264  3.8792     80.527   -297.1503  140.962  149.710    98.112   18.298  9.0071  34.860  10.632  -16.56199      13.93453 
1 1 1 -11 5   30 o 90.382  4.6306  996.051    101.210  937.145    125.990  1103.23    169.944  87.512  5.9690  94.775  7.4501  -7.262985      9.546389 
1 1 1 -11 5   31 o 66.571  4.4190  541.336    70.974   581.235    96.906   495.171    104.239  68.822  5.8589  63.330  6.8950  5.491879       9.048064 
1 1 1 -11 5   32 o 128.131 4.2024  1996.84    130.651  2104.80    185.017  1889.45    184.521  131.399 5.8031  124.463 6.1100  6.935890       8.426619 
1 1 1 -11 5   33 o 105.571 4.1336  1356.06    105.887  1261.05    149.326  1452.15    150.171  101.455 6.0942  108.960 5.6999  -7.504456      8.344333 
1 1 1 -11 5   34 f 71.120  4.2085  617.961    72.301   569.190    100.272  670.778    104.348  67.967  6.1467  73.874  5.8697  -5.907097      8.499158 
1 1 1 -11 5   35 o 81.322  4.4417  808.428    87.311   846.402    132.748  779.475    115.911  82.834  6.6611  79.589  6.0474  3.245079       8.996737 
1 1 1 -11 5   36 o 149.841 4.4588  2738.83    162.111  2599.08    229.686  2877.54    228.835  145.521 6.5049  153.211 6.1556  -7.689484      8.955733 
1 1 1 -11 5   37 o 142.289 4.3938  2471.29    151.695  2345.85    215.010  2595.60    214.051  138.157 6.4139  145.424 6.0662  -7.267090      8.828219 
1 1 1 -11 5   38 o 155.108 4.5530  2940.42    171.354  2919.50    243.413  2960.97    241.265  153.962 6.5158  155.089 6.4114  -1.126358      9.141154 
1 1 1 -11 5   39 o 38.393  5.6630  184.825    51.170   164.694    66.575   213.888    79.990   35.739  7.8885  40.726  8.3743  -4.987339      11.50466 
1 1 1 -11 5   40 o 69.060  5.4697  589.542    90.905   567.823    110.590  634.791    159.625  67.411  6.8566  70.392  9.5958  -2.980667      11.79379 
1 1 1 -11 5   41 o 51.947  6.0860  337.162    75.258   355.438    90.607   296.504    135.141  53.052  7.2269  47.082  11.841  5.969589       13.87215 
1 1 1 -11 5   42 o 22.608  7.3318  61.889     45.970   58.688     58.124   67.237     75.119   23.134  8.2303  25.378  9.3120  -2.243420      12.42789 
1 1 1 -11 5   43 o 92.784  4.3563  1054.41    98.074   1022.70    138.101  1086.67    139.301  90.701  6.3144  93.557  6.1711  -2.855461      8.829188 
1 1 1 -11 5   44 o 53.674  5.3046  358.134    68.180   340.500    93.525   378.135    99.605   51.644  7.6988  54.455  7.7578  -2.811317      10.92953 
1 1 1 -11 5   45 o 22.884  10.740  -132.5955  151.145  -132.5955  151.145  0.0000     0.0000   22.884  10.740  ?       ?       0.000000       10.73959 
1 1 1 -11 5   46 o 47.502  7.7085  290.814    85.802   168.581    208.328  315.784    94.159   39.030  15.229  49.386  8.1415  -10.35599      17.26832 
1 1 1 -11 5   47 o 57.837  5.4143  417.815    75.098   484.036    103.510  344.220    109.122  61.711  7.0387  51.102  9.1359  10.60977       11.53295 
1 1 1 -11 5   48 o 32.507  7.2003  138.259    55.296   125.178    84.323   148.128    73.244   30.997  9.9173  33.322  8.8933  -2.324474      13.32075 
1 1 1 -11 5   49 o 20.266  7.3029  45.067     45.902   -9.8229    76.039   76.539     57.577   19.311  8.4685  24.805  8.2135  -5.493065      11.79730 
1 1 1 -11 5   50 o 63.575  6.3311  512.599    96.363   414.716    249.689  529.730    104.456  51.183  17.110  64.436  6.7828  -13.25265      18.40556 
1 1 1 -11 5   51 o 77.475  4.8788  747.072    91.246   773.464    120.188  711.163    140.192  78.142  6.3949  74.084  7.9217  4.057800       10.18076 
1 1 1 -11 5   52 o 29.484  10.856  102.499    102.213  0.0000     0.0000   102.499    102.213  ?       ?       29.484  10.856  0.000000       10.85569 
1 1 1 -11 5   53 o 66.086  8.2160  569.546    128.901  0.0000     0.0000   569.546    128.901  ?       ?       66.086  8.2160  0.000000       8.215971 
1 1 1 -11 5   54 f 63.099  6.5458  507.283    98.761   507.283    98.761   0.0000     0.0000   63.099  6.5458  ?       ?       0.000000       6.545789 
1 1 1 -11 5   55 o 33.677  6.7913  148.561    53.580   154.073    56.626   101.418    165.607  34.227  7.0530  32.511  13.272  1.716152       15.02981 
1 1 1 -11 6   1  o 161.098 6.0163  3151.61    235.171  2964.44    347.655  3309.52    319.314  155.868 9.2335  165.025 7.9745  -9.156418      12.20042 
1 1 1 -11 6   2  o 397.420 16.132  19293.31   1555.62  0.0000     0.0000   19293.31   1555.62  ?       ?       397.420 16.132  0.000000       16.13211 
1 1 1 -11 6   3  o 380.696 11.187  17641.02   1033.34  16814.15   1479.44  18428.66   1443.92  370.960 16.436  388.543 15.316  -17.58301      22.46620 
1 1 1 -11 6   4  o 167.357 4.4070  3399.74    178.959  3289.70    252.135  3511.45    254.049  164.582 6.3137  170.043 6.1574  -5.460968      8.819118 
1 1 1 -11 6   5  o 602.926 11.802  44267.02   1726.50  44807.72   2441.12  43725.86   2442.15  605.492 16.616  598.081 16.829  7.411011       23.64911 
1 1 1 -11 6   6  f 367.519 7.6848  16413.12   685.296  17093.63   968.845  15731.73   969.466  374.784 10.654  359.495 11.114  15.28867       15.39577 
1 1 1 -11 6   7  o 130.837 4.0059  2077.74    127.174  2034.43    179.647  2121.24    180.057  129.437 5.7200  132.172 5.6145  -2.734924      8.015036 
1 1 1 -11 6   8  o 409.671 8.2640  20400.99   821.469  20415.94   1161.05  20386.01   1162.42  409.423 11.687  409.120 11.710  0.3032837      16.54422 
1 1 1 -11 6   9  o 313.807 6.6765  11962.85   508.363  11750.14   718.302  12176.32   719.567  310.793 9.5252  316.392 9.3731  -5.599487      13.36350 
1 1 1 -11 6   10 o 186.568 4.6921  4225.78    212.406  4260.75    300.011  4190.62    300.766  187.276 6.6022  185.725 6.6741  1.550415       9.387918 
1 1 1 -11 6   11 o 482.241 9.7147  28302.02   1136.73  28455.61   1607.21  28148.30   1607.94  482.800 13.720  480.168 13.801  2.631805       19.46014 
1 1 1 -11 6   12 o 325.285 6.8259  12858.30   538.749  12702.87   761.795  13013.82   762.017  323.037 9.7190  326.980 9.6046  -3.942657      13.66409 
1 1 1 -11 6   13 o 383.461 7.7891  17882.00   724.723  17298.68   1024.32  18466.69   1025.51  376.672 11.207  389.240 10.858  -12.56775      15.60473 
1 1 1 -11 6   14 o 267.506 5.7869  8694.62    375.613  8565.46    530.370  8824.60    532.029  265.307 8.2388  269.300 8.1421  -3.992920      11.58324 
1 1 1 -11 6   15 o 267.552 5.9965  8700.67    389.289  8710.70    549.801  8690.58    551.278  267.461 8.4719  267.148 8.5046  0.3128357      12.00424 
1 1 1 -11 6   16 o 173.775 4.5188  3668.03    190.535  3569.97    267.710  3768.69    271.239  171.330 6.4397  176.040 6.3501  -4.710022      9.043952 
1 1 1 -11 6   17 o 191.021 4.8142  4433.82    223.134  4472.57    316.059  4395.33    315.063  191.704 6.7947  190.038 6.8327  1.665894       9.636086 
1 1 1 -11 6   18 o 45.405  6.3327  255.698    67.869   272.777    82.715   220.508    118.729  46.729  7.5528  41.758  11.399  4.971004       13.67392 
1 1 1 -11 6   19 o 206.167 7.1664  5179.23    358.498  5652.86    484.824  4607.86    532.511  215.070 9.2905  193.498 11.392  21.57231       14.70023 
1 1 1 -11 6   20 o 71.136  5.5592  619.354    95.191   724.517    119.918  440.198    156.519  76.861  6.4907  58.927  11.359  17.93438       13.08245 
1 1 1 -11 6   21 o 178.952 4.6230  3892.77    200.734  3976.19    284.169  3809.69    283.595  180.689 6.4816  176.852 6.6088  3.837006       9.256771 
1 1 1 -11 6   22 o 63.231  3.9733  487.658    60.650   455.322    85.271   520.767    86.284   60.891  5.8432  65.197  5.5057  -4.306541      8.028453 
1 1 1 -11 6   23 o 232.742 5.3227  6588.50    300.590  6556.62    425.831  6620.17    424.368  231.877 7.5686  233.008 7.5060  -1.130829      10.65944 
1 1 1 -11 6   24 o 204.449 5.0998  5083.00    252.991  4945.12    358.344  5220.03    357.226  201.405 7.3327  206.957 7.1138  -5.552002      10.21638 
1 1 1 -11 6   25 o 118.915 4.1124  1718.24    118.659  1667.87    166.859  1769.78    168.775  116.916 5.9009  120.595 5.7679  -3.679199      8.251559 
1 1 1 -11 6   26 o 48.436  5.0662  288.411    58.660   263.364    78.642   319.825    88.072   45.918  7.3029  50.693  7.3766  -4.774307      10.38015 
1 1 1 -11 6   27 o 188.419 6.8997  4327.11    315.440  4509.26    478.675  4187.29    419.382  191.522 10.339  184.754 9.3860  6.767578       13.96381 
1 1 1 -11 6   28 o 48.993  8.6770  302.029    99.374   356.848    165.057  270.860    124.459  52.749  12.983  46.047  11.238  6.702309       17.17169 
1 1 1 -11 6   29 o 52.148  7.9553  339.683    97.473   623.744    169.397  199.080    119.179  70.597  10.184  39.828  11.616  30.76957       15.44774 
1 1 1 -11 6   30 o 219.487 5.2054  5863.90    277.220  5943.00    393.777  5786.19    390.341  220.600 7.3567  217.664 7.3909  2.936478       10.42809 
1 1 1 -11 6   31 o 227.167 5.4889  6286.73    302.550  5926.74    429.624  6640.90    426.139  220.045 8.0466  233.052 7.5359  -13.00708      11.02439 
1 1 1 -11 6   32 o 76.205  4.7226  709.748    86.894   750.521    106.121  626.793    151.370  78.255  5.6264  70.872  9.0057  7.382950       10.61887 
1 1 1 -11 6   33 o 80.286  4.1003  786.544    79.610   701.369    111.204  876.087    114.020  75.522  6.1212  84.545  5.5897  -9.023277      8.289370 
1 1 1 -11 6   34 o 124.914 4.3139  1900.94    130.751  1904.02    185.088  1897.88    184.732  124.753 6.1145  124.552 6.1126  0.2010117      8.645898 
1 1 1 -11 6   35 o 57.020  4.6117  399.200    63.259   354.887    86.407   450.383    92.864   53.340  6.8334  60.268  6.4505  -6.928120      9.397054 
1 1 1 -11 6   36 o 14.112  6.1622  -8.0088    39.884   -9.5896    50.079   -5.2669    65.952   15.824  6.9075  18.609  8.0257  -2.785154      10.58894 
1 1 1 -11 6   37 o 74.356  4.2465  677.095    76.297   687.701    104.992  665.228    111.065  74.630  5.8447  73.287  6.3072  1.342285       8.598907 
1 1 1 -11 6   38 o 148.968 4.4950  2713.23    162.473  2739.88    231.352  2687.29    228.224  149.109 6.3944  147.681 6.3690  1.428879       9.025162 
1 1 1 -11 6   39 o 106.395 5.4636  1394.06    140.572  1227.49    176.506  1682.93    232.445  99.201  7.3859  115.830 8.3261  -16.62937      11.12991 
1 1 1 -11 6   40 o 50.057  6.2074  313.692    73.776   317.373    88.953   305.578    132.056  49.991  7.5703  47.891  11.508  2.100391       13.77439 
1 1 1 -11 6   41 o 34.238  7.2997  151.012    58.790   154.930    68.637   140.219    113.914  34.518  8.2976  33.899  11.556  0.6187401      14.22629 
1 1 1 -11 6   42 o 114.406 4.4361  1603.38    123.143  1627.57    174.785  1579.53    173.523  114.538 6.3135  112.810 6.3654  1.728310       8.965401 
1 1 1 -11 6   43 o 68.632  4.4904  579.958    74.366   545.843    109.441  609.222    101.363  65.900  6.9491  69.947  6.0313  -4.046844      9.201396 
1 1 1 -11 6   44 f 63.487  7.1427  509.122    108.119  509.122    108.119  0.0000     0.0000   63.487  7.1427  ?       ?       0.000000       7.142696 
1 1 1 -11 6   45 o 47.697  15.344  321.440    201.650  321.440    201.650  0.0000     0.0000   47.697  15.344  ?       ?       0.000000       15.34419 
1 1 1 -11 6   46 o 29.466  9.0143  112.532    70.455   80.963     196.313  117.199    75.484   34.154  14.245  30.086  9.3515  4.067110       17.03996 
1 1 1 -11 6   47 o 68.243  4.8014  577.710    78.998   658.073    114.282  504.169    109.323  72.179  6.5984  62.816  7.3093  9.363228       9.847074 
1 1 1 -11 6   48 o 77.195  4.6602  738.645    86.880   780.191    124.787  699.562    121.033  78.519  6.6113  74.239  6.7944  4.280479       9.480189 
1 1 1 -11 6   49 o 50.629  7.2197  331.018    86.179   424.289    234.422  316.444    92.668   52.083  16.522  49.132  8.0523  2.951237       18.37983 
1 1 1 -11 6   50 o 44.371  6.0134  250.877    63.074   313.471    93.060   197.689    85.783   48.808  8.1449  38.141  9.3432  10.66771       12.39492 
1 1 1 -11 6   51 o 20.007  9.2911  -75.2404   108.357  0.0000     0.0000   -75.2404   108.357  ?       ?       20.007  9.2911  0.000000       9.291121 
1 1 1 -11 6   52 o 22.123  9.6231  -0.7301    96.456   0.0000     0.0000   -0.7301    96.456   ?       ?       22.123  9.6231  0.000000       9.623082 
1 1 1 -11 6   53 o 57.910  6.9591  430.496    95.828   394.480    106.494  583.747    219.676  54.802  8.2658  62.331  14.754  -7.529076      16.91166 
1 1 1 -11 6   54 o 67.590  6.1377  578.989    99.561   566.640    112.903  622.169    211.129  66.378  7.1212  64.953  13.821  1.425331       15.54771 
1 1 1 -11 6   55 o 65.181  4.9140  531.569    77.146   474.462    97.916   625.045    125.274  60.744  6.7579  69.339  7.5689  -8.594669      10.14677 
1 1 1 -11 7   1  o 533.256 14.971  34710.41   1937.14  35240.04   2755.86  34193.14   2723.50  535.670 21.203  527.632 21.273  8.037964       30.03514 
1 1 1 -11 7   2  o 127.551 4.3152  1974.79    133.551  1977.09    166.745  1970.67    223.046  127.607 5.3854  127.152 7.2596  0.4549103      9.039001 
1 1 1 -11 7   3  o 544.761 10.839  36119.42   1432.72  34975.43   2024.25  37267.76   2028.10  535.149 15.589  552.515 15.128  -17.36523      21.72281 
1 1 1 -11 7   4  o 495.922 9.7936  29916.36   1178.47  29651.21   1665.20  30182.41   1668.03  493.056 13.919  497.472 13.819  -4.415894      19.61364 
1 1 1 -11 7   5  o 331.828 6.9044  13376.35   555.908  13380.87   785.293  13371.81   787.055  331.664 9.7582  331.549 9.7835  0.1145935      13.81805 
1 1 1 -11 7   6  o 364.489 7.4132  16142.91   655.619  16359.71   926.810  15925.75   927.560  366.649 10.418  361.737 10.568  4.911743       14.83945 
1 1 1 -11 7   7  o 424.940 8.5900  21954.69   885.692  21058.34   1252.08  22852.41   1253.04  415.688 12.414  433.108 11.923  -17.42072      17.21247 
1 1 1 -11 7   8  o 225.551 5.1041  6176.84    279.335  6021.80    394.440  6332.83    395.642  222.610 7.3025  228.295 7.1424  -5.684784      10.21470 
1 1 1 -11 7   9  o 342.104 7.1111  14221.58   590.279  14410.33   834.166  14032.26   835.397  344.098 9.9909  339.538 10.140  4.559998       14.23515 
1 1 1 -11 7   10 o 274.814 5.9903  9173.54    399.437  9202.78    564.541  9144.23    565.238  275.086 8.4579  274.206 8.4955  0.8793640      11.98792 
1 1 1 -11 7   11 o 268.472 5.9832  8755.79    389.758  9057.78    550.848  8453.03    551.555  272.898 8.3189  263.606 8.6232  9.292053       11.98186 
1 1 1 -11 7   12 o 104.232 3.6831  1318.78    93.148   1393.06    131.249  1243.39    132.218  107.102 5.0505  101.033 5.4131  6.069145       7.403337 
1 1 1 -11 7   13 o 478.485 9.6906  27893.60   1125.08  28506.29   1591.08  27280.87   1591.13  482.731 13.584  472.152 13.889  10.57806       19.42715 
1 1 1 -11 7   14 o 365.076 7.5156  16216.60   665.753  16392.55   940.828  16040.12   942.207  366.531 10.579  362.543 10.711  3.987579       15.05430 
1 1 1 -11 7   15 o 434.173 8.7472  22972.57   921.504  22699.06   1302.92  23246.32   1303.49  430.586 12.471  435.790 12.327  -5.204834      17.53514 
1 1 1 -11 7   16 o 209.216 4.9983  5319.30    253.736  5490.97    357.494  5145.02    360.196  212.399 6.9367  205.572 7.2212  6.827682       10.01318 
1 1 1 -11 7   17 o 274.464 8.5551  9190.18    569.739  9142.97    779.981  9244.19    834.217  273.081 11.771  274.397 12.530  -1.316528      17.19175 
1 1 1 -11 7   18 o 80.168  5.6681  785.710    109.546  723.372    131.965  923.875    196.464  76.720  7.1722  86.422  9.5273  -9.702332      11.92523 
1 1 1 -11 7   19 o 226.008 7.4809  6228.38    410.246  6369.40    558.119  6062.62    605.071  228.084 10.085  221.997 11.270  6.087250       15.12334 
1 1 1 -11 7   20 o 170.062 6.3406  3521.80    261.641  3644.78    349.396  3364.80    394.778  172.773 8.3345  165.504 9.8756  7.268539       12.92248 
1 1 1 -11 7   21 o 91.814  3.8118  1024.07    84.918   1043.51    120.894  1005.13    119.305  92.462  5.4122  90.737  5.4441  1.725227       7.676581 
1 1 1 -11 7   22 o 153.472 4.2748  2862.27    159.188  2825.73    225.831  2898.35    224.426  152.358 6.1088  154.313 5.9939  -1.955093      8.558233 
1 1 1 -11 7   23 o 101.473 3.8441  1250.89    94.648   1274.92    133.706  1226.76    133.998  102.234 5.4093  100.267 5.5292  1.967911       7.735133 
1 1 1 -11 7   24 o 39.269  5.6160  191.401    51.986   255.543    70.172   113.369    77.398   45.340  6.5699  30.521  9.4665  14.81896       11.52295 
1 1 1 -11 7   25 o 214.168 5.0794  5578.25    263.955  5774.79    373.922  5383.04    372.659  217.660 7.0801  210.115 7.3095  7.544861       10.17629 
1 1 1 -11 7   26 o 231.967 7.9346  6568.14    446.596  6096.54    665.122  6955.31    602.654  222.183 12.387  238.178 10.428  -15.99536      16.19186 
1 1 1 -11 7   27 o 259.129 8.4131  8205.35    528.977  8196.04    783.939  8213.13    716.741  257.857 12.530  258.469 11.429  -0.6119080     16.95890 
1 1 1 -11 7   28 o 286.651 8.9948  10056.87   625.617  10328.18   921.911  9825.29    851.758  289.058 13.144  282.206 12.439  6.851929       18.09709 
1 1 1 -11 7   29 f 23.183  7.5370  63.355     48.565   75.009     64.666   48.278     73.550   25.701  8.7069  23.897  9.1206  1.804247       12.60939 
1 1 1 -11 7   30 f 86.929  4.0672  918.811    85.788   957.542    120.071  878.421    122.614  88.478  5.6221  84.678  6.0067  3.800262       8.227279 
1 1 1 -11 7   31 o 109.063 4.1482  1446.88    109.774  1363.51    154.790  1531.24    155.701  105.543 6.0699  111.915 5.7532  -6.371841      8.363201 
1 1 1 -11 7   32 o 107.311 4.1002  1401.36    106.762  1370.09    150.789  1432.79    151.180  105.774 5.8988  108.194 5.7796  -2.420326      8.258312 
1 1 1 -11 7   33 o 45.713  5.1652  258.160    56.286   332.033    75.719   166.923    84.149   51.750  6.1507  36.095  9.4845  15.65512       11.30427 
1 1 1 -11 7   34 o 219.024 5.2778  5860.80    280.486  5876.43    398.725  5845.48    394.642  218.533 7.5196  217.981 7.4614  0.5525818      10.59322 
1 1 1 -11 7   35 o 87.681  4.1071  937.300    87.377   965.659    121.990  907.423    125.214  88.617  5.7037  85.819  6.0520  2.797974       8.316133 
1 1 1 -11 7   36 o 90.220  4.0810  993.007    89.337   967.793    124.719  1019.58    128.030  88.627  5.8322  90.978  5.8305  -2.350388      8.246783 
1 1 1 -11 7   37 o 99.029  4.1490  1197.43    99.693   1228.21    139.481  1165.29    142.542  99.831  5.7829  97.153  6.0773  2.678726       8.389070 
1 1 1 -11 7   38 o 89.877  5.4972  995.770    119.304  1027.27    148.554  938.540    200.230  90.922  6.7824  85.786  9.7950  5.136070       11.91401 
1 1 1 -11 7   39 o 46.789  6.2608  274.725    69.297   220.353    82.355   406.573    128.244  41.257  8.5094  55.994  9.7959  -14.73758      12.97569 
1 1 1 -11 7   40 o 111.134 5.6023  1523.93    150.582  1388.21    189.437  1756.88    248.179  105.372 7.4574  117.976 8.7318  -12.60371      11.48291 
1 1 1 -11 7   41 o 94.523  4.3418  1093.92    99.580   1128.78    142.952  1061.07    138.796  95.373  6.2112  92.453  6.2234  2.919968       8.792606 
1 1 1 -11 7   42 o 80.908  4.4030  804.490    86.112   902.209    125.758  718.224    118.159  85.201  6.1240  75.858  6.4817  9.342545       8.917208 
1 1 1 -11 7   43 o 72.620  6.7759  661.583    118.017  661.583    118.017  0.0000     0.0000   72.620  6.7759  ?       ?       0.000000       6.775946 
1 1 1 -11 7   44 o 36.493  14.240  138.239    182.182  138.239    182.182  0.0000     0.0000   36.493  14.240  ?       ?       0.000000       14.24032 
1 1 1 -11 7   45 o 132.593 6.7526  2204.68    216.531  2070.16    383.478  2267.65    262.357  123.216 13.024  133.507 8.1377  -10.29075      15.35727 
1 1 1 -11 7   46 o 61.256  4.8418  465.975    71.379   568.320    104.272  375.727    97.917   67.109  6.4844  53.997  7.6908  13.11132       10.05964 
1 1 1 -11 7   47 o 34.888  6.6212  157.516    53.999   158.489    86.335   156.890    69.206   34.306  9.8525  34.339  8.3799  -0.3322601E-01 12.93422 
1 1 1 -11 7   48 o 21.141  7.7165  48.321     51.486   -104.4408  180.655  61.825     53.713   25.813  11.991  22.852  7.9292  2.960808       14.37517 
1 1 1 -11 7   49 o 36.154  6.7312  169.926    56.876   198.968    87.198   148.421    75.034   38.231  9.4531  33.161  9.0657  5.070156       13.09763 
1 1 1 -11 7   50 o 62.617  5.7871  494.507    86.932   532.196    105.992  417.050    151.949  64.486  6.8802  54.316  11.862  10.17012       13.71261 
1 1 1 -11 7   51 o 67.143  8.1952  588.307    130.744  0.0000     0.0000   588.307    130.744  ?       ?       67.143  8.1952  0.000000       8.195245 
1 1 1 -11 7   52 o 21.491  8.2933  43.007     61.262   27.968     76.473   69.946     102.352  21.812  8.9748  27.062  10.641  -5.249853      13.92003 
1 1 1 -11 7   53 o 18.367  8.0181  -5.9644    67.489   -72.8065   72.221   454.624    189.580  15.542  7.3340  55.114  14.115  -39.57270      15.90623 
1 1 1 -11 7   54 o 26.900  8.4280  94.773     61.175   118.987    76.782   52.686     101.227  29.873  9.4535  25.647  10.412  4.225803       14.06364 
1 1 1 -11 8   1  o 340.766 7.1567  14108.43   591.743  14450.69   834.952  13763.05   838.764  344.637 9.9847  336.309 10.279  8.328156       14.32990 
1 1 1 -11 8   2  o 328.062 6.9189  13074.85   550.756  13469.50   777.074  12676.49   780.713  332.764 9.6241  322.789 9.9680  9.975159       13.85587 
1 1 1 -11 8   3  o 901.878 20.315  99846.60   4445.63  101738.10  7683.77  98894.81   5450.55  899.925 35.189  894.818 25.104  5.106873       43.22566 
1 1 1 -11 8   4  o 371.444 7.5513  16766.38   680.576  16988.80   960.821  16542.42   964.148  373.601 10.599  368.640 10.779  4.961334       15.11715 
1 1 1 -11 8   5  o 284.319 6.1384  9818.14    423.475  10022.27   597.661  9612.32    600.115  287.107 8.5792  281.159 8.7967  5.948792       12.28756 
1 1 1 -11 8   6  o 296.156 6.4046  10654.08   460.231  10761.04   650.144  10546.65   651.588  297.458 9.0078  294.471 9.1194  2.987030       12.81811 
1 1 1 -11 8   7  o 294.983 6.3914  10570.21   457.463  10667.82   646.478  10472.31   647.424  296.156 8.9964  293.421 9.0935  2.734436       12.79171 
1 1 1 -11 8   8  o 179.067 4.5128  3892.74    196.076  3603.60    276.101  4186.94    278.502  172.223 6.6071  185.656 6.1824  -13.43333      9.048532 
1 1 1 -11 8   9  o 243.664 5.4000  7210.33    319.261  6831.21    450.874  7591.58    452.136  237.038 7.8392  249.908 7.4563  -12.86946      10.81898 
1 1 1 -11 8   10 o 363.934 7.4993  16102.26   662.227  16118.85   936.110  16085.63   936.952  363.741 10.606  363.363 10.627  0.3780518      15.01436 
1 1 1 -11 8   11 o 376.284 7.6979  17219.51   702.834  17083.43   993.529  17355.84   994.386  374.332 10.939  377.318 10.861  -2.985687      15.41494 
1 1 1 -11 8   12 o 264.441 5.8219  8497.02    373.558  8711.74    528.170  8282.10    528.413  267.563 8.1355  260.861 8.3484  6.702026       11.65682 
1 1 1 -11 8   13 o 217.508 5.1304  5747.54    270.765  5847.27    382.506  5647.37    383.334  219.242 7.1904  215.450 7.3327  3.791946       10.26987 
1 1 1 -11 8   14 o 149.320 4.2409  2707.89    153.652  2729.11    217.177  2686.63    217.416  149.825 5.9740  148.651 6.0278  1.173340       8.486646 
1 1 1 -11 8   15 o 169.349 4.4375  3484.02    182.340  3450.34    256.352  3518.51    259.411  168.417 6.2732  170.071 6.2863  -1.654770      8.880880 
1 1 1 -11 8   16 o 68.939  5.6774  581.895    94.124   586.615    111.522  570.207    175.488  69.091  6.7381  67.375  11.123  1.716599       13.00452 
1 1 1 -11 8   17 o 142.836 5.9546  2482.63    206.374  2519.46    265.674  2426.58    327.703  143.551 7.6551  140.547 9.6681  3.003860       12.33179 
1 1 1 -11 8   18 o 166.722 6.2549  3384.22    253.031  3129.51    331.099  3741.83    392.323  159.854 8.5675  174.697 9.2888  -14.84320      12.63659 
1 1 1 -11 8   19 o 101.078 5.5372  1246.76    135.287  1230.30    167.432  1277.71    229.624  100.242 6.9262  101.782 9.4042  -1.539795      11.67955 
1 1 1 -11 8   20 o 80.541  3.7737  788.018    73.747   764.411    104.087  811.815    104.503  79.082  5.4578  81.523  5.3120  -2.441704      7.616153 
1 1 1 -11 8   21 o 187.394 4.7945  4269.31    218.003  4436.09    308.905  4103.82    307.705  190.832 6.6713  183.519 6.9102  7.312912       9.605046 
1 1 1 -11 8   22 f 89.991  3.7634  983.774    82.175   939.841    117.108  1026.39    115.339  87.720  5.5303  91.719  5.2041  -3.998466      7.593881 
1 1 1 -11 8   23 o 108.682 4.0094  1435.13    105.729  1374.93    148.918  1496.32    150.137  106.134 5.8047  110.755 5.6050  -4.620934      8.069092 
1 1 1 -11 8   24 o 266.543 5.7382  8646.03    371.113  7267.83    448.735  11628.71   660.143  244.096 7.5764  308.467 8.8199  -64.37074      11.62729 
1 1 1 -11 8   25 o 105.554 6.1059  1361.10    155.715  966.426    252.225  1604.18    197.940  87.824  12.163  114.483 7.1617  -26.65900      14.11454 
1 1 1 -11 8   26 o 125.046 6.0524  1904.11    183.637  1993.90    294.037  1846.69    235.132  127.253 9.5935  122.731 7.9382  4.521553       12.45192 
1 1 1 -11 8   27 o 283.816 9.1278  9860.71    628.591  9372.36    925.227  10279.35   856.651  274.745 13.924  288.755 12.227  -14.01056      18.53053 
1 1 1 -11 8   28 o 147.558 4.3714  2647.50    156.511  2556.79    221.377  2738.14    221.302  144.834 6.2994  149.906 6.0842  -5.071701      8.757828 
1 1 1 -11 8   29 o 282.851 6.2980  9756.43    432.242  9591.26    612.909  9919.85    609.669  279.687 9.0315  284.504 8.8317  -4.816132      12.63194 
1 1 1 -11 8   30 o 317.096 6.7524  12281.52   519.535  11963.33   736.761  12596.23   732.722  311.829 9.7375  320.108 9.4336  -8.278961      13.55773 
1 1 1 -11 8   31 o 224.762 5.4541  6160.83    297.447  6015.24    422.370  6304.07    418.957  221.473 7.8598  226.803 7.6130  -5.330048      10.94230 
1 1 1 -11 8   32 o 113.941 4.1013  1580.51    113.387  1535.37    160.658  1625.32    160.052  111.936 5.9364  115.356 5.7182  -3.420364      8.242484 
1 1 1 -11 8   33 o 258.785 5.8847  8193.17    369.509  8113.24    524.988  8271.64    520.175  256.393 8.4388  258.966 8.2783  -2.573700      11.82131 
1 1 1 -11 8   34 o 61.454  4.5391  463.314    67.205   416.864    91.345   518.130    99.229   57.898  6.6212  64.671  6.4080  -6.773327      9.214280 
1 1 1 -11 8   35 o 90.256  4.1675  993.874    91.269   914.877    127.841  1075.99    130.343  86.098  6.1601  93.499  5.7736  -7.400185      8.442863 
1 1 1 -11 8   36 o 86.034  4.1627  903.688    86.898   956.357    121.810  849.107    124.003  88.078  5.7309  82.853  6.2135  5.225204       8.452806 
1 1 1 -11 8   37 o 60.382  4.5388  448.473    66.012   468.001    89.685   425.386    97.514   61.359  6.1050  58.235  7.0444  3.124313       9.321712 
1 1 1 -11 8   38 o 92.764  5.6274  1062.16    126.064  1160.49    155.967  876.858    214.104  96.643  6.6924  82.255  11.003  14.38798       12.87866 
1 1 1 -11 8   39 o 128.677 5.8939  2041.11    184.020  2072.95    234.482  1990.04    296.925  128.831 7.5339  124.949 9.8742  3.881744       12.42018 
1 1 1 -11 8   40 o 118.808 4.3751  1728.36    126.126  1634.59    177.480  1824.02    179.271  114.775 6.3984  121.381 6.1064  -6.605736      8.844607 
1 1 1 -11 8   41 o 61.623  4.8667  469.092    72.176   505.931    103.991  434.852    100.256  63.472  6.8615  58.693  7.1901  4.778664       9.938677 
1 1 1 -11 8   42 o 39.347  9.6048  204.790    90.897   204.790    90.897   0.0000     0.0000   39.347  9.6048  ?       ?       0.000000       9.604800 
1 1 1 -11 8   43 o 76.191  13.801  801.536    245.752  801.536    245.752  0.0000     0.0000   76.191  13.801  ?       ?       0.000000       13.80132 
1 1 1 -11 8   44 o 79.605  6.3709  794.257    122.025  821.751    248.352  785.508    140.102  76.751  13.845  78.718  7.4228  -1.966766      15.70946 
1 1 1 -11 8   45 o 43.492  8.0679  247.072    82.006   124.798    210.204  269.022    89.063   36.703  14.965  45.301  8.4124  -8.598034      17.16710 
1 1 1 -11 8   46 o 39.890  6.2976  203.527    58.931   293.336    91.082   138.857    77.289   47.324  8.2309  32.284  9.3367  15.04016       12.44675 
1 1 1 -11 8   47 o 52.215  5.2340  341.785    65.419   349.906    96.127   334.779    89.285   51.823  7.8940  50.855  7.4572  0.9684296      10.85935 
1 1 1 -11 8   48 o 89.806  4.4861  996.698    97.755   1111.60    140.385  888.535    136.203  93.883  6.1976  83.582  6.7743  10.30054       9.181524 
1 1 1 -11 8   49 o 15.506  6.6690  -0.4269    45.290   -19.1764   71.626   12.064     58.461   18.120  8.0693  18.467  7.7432  -0.3468742     11.18346 
1 1 1 -11 8   50 o 33.888  11.123  154.994    105.679  0.0000     0.0000   154.994    105.679  ?       ?       33.888  11.123  0.000000       11.12301 
1 1 1 -11 8   51 o 50.807  6.2093  328.786    74.955   367.517    97.413   272.576    117.354  53.074  7.7968  44.146  10.997  8.927837       13.48023 
1 1 1 -11 8   52 o 47.852  7.9300  300.927    88.850   287.775    97.513   365.239    215.631  46.283  9.0072  48.491  15.887  -2.208435      18.26286 
1 1 1 -11 8   53 o 23.946  9.1833  57.793     74.788   44.781     80.861   134.790    196.698  23.413  9.3757  35.460  14.469  -12.04690      17.24113 
1 1 1 -11 8   54 o 32.928  7.9598  145.998    62.893   109.182    76.578   222.302    110.244  28.770  9.4697  39.473  11.065  -10.70377      14.56397 
1 1 1 -11 9   1  o 7.2978  3.5889  -46.7550   22.206   -61.0080   34.442   -36.6159   29.049   9.5928  4.6637  9.6519  4.5832  -0.5909729E-01 6.538750 
1 1 1 -11 9   2  o 723.452 14.152  63880.33   2484.30  63521.00   3511.40  64240.47   3515.27  719.214 20.121  723.315 20.029  -4.101379      28.39093 
1 1 1 -11 9   3  o 164.356 4.2662  3279.04    170.135  3052.09    239.203  3511.39    242.038  158.517 6.2191  170.038 5.8664  -11.52040      8.549388 
1 1 1 -11 9   4  o 141.033 3.9740  2414.30    135.993  2425.43    190.921  2402.83    193.757  141.325 5.5676  140.662 5.6770  0.6626587      7.951493 
1 1 1 -11 9   5  o 237.326 5.4493  6839.67    313.798  6899.48    442.444  6779.13    445.124  238.253 7.6534  236.159 7.7680  2.093643       10.90493 
1 1 1 -11 9   6  o 461.140 10.783  25897.14   1206.51  26173.64   1482.07  25353.85   2077.46  463.159 13.188  454.509 18.838  8.649780       22.99510 
1 1 1 -11 9   7  o 224.110 5.2621  6099.16    286.145  5886.19    403.951  6313.64    405.392  220.051 7.5656  227.915 7.3306  -7.863663      10.53447 
1 1 1 -11 9   8  o 207.551 4.9185  5230.75    247.698  5292.48    350.107  5168.89    350.490  208.683 6.9143  206.227 7.0043  2.455811       9.842175 
1 1 1 -11 9   9  o 224.951 5.1204  6145.42    279.481  6119.02    394.583  6172.00    395.911  224.352 7.2484  225.322 7.2415  -0.9694977     10.24595 
1 1 1 -11 9   10 o 152.502 4.2464  2823.70    157.132  2814.34    221.357  2833.21    223.089  152.191 5.9943  152.699 6.0211  -0.5083923     8.496232 
1 1 1 -11 9   11 o 259.356 5.8246  8173.90    366.542  8034.29    517.894  8314.03    518.844  256.917 8.3078  261.364 8.1814  -4.447327      11.65993 
1 1 1 -11 9   12 o 74.158  3.8236  669.489    68.567   737.806    97.059   601.425    96.879   77.756  5.1740  70.112  5.7451  7.644058       7.731520 
1 1 1 -11 9   13 o 138.967 4.0345  2345.25    136.040  2382.40    192.306  2308.03    192.474  139.997 5.6612  137.790 5.7569  2.206741       8.074138 
1 1 1 -11 9   14 o 81.364  3.7135  803.922    73.312   797.595    104.790  809.987    102.604  80.824  5.3740  81.467  5.2180  -0.6427536     7.490501 
1 1 1 -11 9   15 o 113.802 5.4638  1574.85    150.873  1623.20    196.328  1505.12    235.781  115.234 7.0556  110.700 8.8521  4.533829       11.31993 
1 1 1 -11 9   16 o 112.886 5.5230  1550.03    151.278  1541.97    191.833  1563.30    246.014  112.279 7.0777  112.764 9.0680  -0.4856567     11.50313 
1 1 1 -11 9   17 o 227.320 7.4174  6300.68    409.125  5879.51    552.068  6813.76    609.343  219.066 10.386  235.769 10.651  -16.70383      14.87704 
1 1 1 -11 9   18 o 148.165 5.9841  2672.34    215.134  2600.16    279.293  2777.65    337.357  145.754 7.9271  150.421 9.2886  -4.666718      12.21129 
1 1 1 -11 9   19 o 185.721 4.6795  4193.16    210.872  4059.16    297.067  4329.27    299.384  182.533 6.7073  188.527 6.5447  -5.994202      9.371319 
1 1 1 -11 9   20 o 74.992  3.9641  685.167    71.874   694.874    98.855   674.282    104.687  75.383  5.4411  74.204  5.8621  1.179283       7.998114 
1 1 1 -11 9   21 o 223.444 5.2920  6072.87    286.913  6166.86    406.129  5979.22    405.384  224.883 7.4429  221.419 7.5455  3.463257       10.59867 
1 1 1 -11 9   22 o 126.691 4.1281  1950.36    126.898  1929.84    178.834  1971.17    180.095  125.922 5.8531  127.264 5.8322  -1.342636      8.262757 
1 1 1 -11 9   23 o 211.284 5.2204  5429.88    267.632  5348.81    379.392  5510.17    377.591  209.418 7.4664  212.575 7.3206  -3.157059      10.45647 
1 1 1 -11 9   24 o 143.234 6.2486  2498.52    217.168  2344.79    339.847  2604.62    282.331  137.951 10.226  145.850 8.0086  -7.898651      12.98863 
1 1 1 -11 9   25 o 87.841  6.2752  944.607    132.868  889.693    216.535  977.770    168.270  84.471  10.813  89.155  7.8589  -4.683899      13.36720 
1 1 1 -11 9   26 o 137.052 6.1606  2288.10    204.868  2580.32    322.680  2090.77    265.167  144.889 9.2266  130.513 8.4183  14.37550       12.48986 
1 1 1 -11 9   27 o 17.311  7.9720  -59.6478   77.346   -175.0550  140.305  -9.2638    92.705   21.135  10.047  22.058  9.5142  -0.9228477     13.83664 
1 1 1 -11 9   28 o 36.585  6.2779  167.756    53.721   144.962    69.890   200.670    83.984   33.761  8.5289  39.695  8.9352  -5.934017      12.35231 
1 1 1 -11 9   29 o 156.805 4.5623  2992.02    173.584  3096.78    245.069  2886.56    245.904  159.303 6.3401  153.765 6.5909  5.537903       9.145333 
1 1 1 -11 9   30 o 48.867  5.0003  293.948    58.455   349.025    78.756   226.382    87.228   53.105  6.2303  42.155  8.8116  10.95040       10.79172 
1 1 1 -11 9   31 o 115.507 4.1850  1624.32    117.292  1638.57    165.432  1609.92    166.324  115.663 5.9145  114.629 6.0008  1.034065       8.425568 
1 1 1 -11 9   32 o 131.836 4.2427  2117.56    135.718  2100.46    191.579  2134.79    192.292  131.022 6.0262  132.093 5.9995  -1.071396      8.503485 
1 1 1 -11 9   33 o 90.313  4.1125  994.132    90.120   983.582    125.563  1005.34    129.423  89.442  5.8173  90.407  5.9328  -0.9644928     8.309011 
1 1 1 -11 9   34 o 84.853  4.1713  878.319    85.883   776.070    119.858  986.210    123.121  79.248  6.2848  89.527  5.6974  -10.27920      8.482916 
1 1 1 -11 9   35 o 130.281 4.3363  2073.04    137.078  2127.13    193.386  2018.42    194.332  131.552 6.0585  128.092 6.2525  3.459778       8.706301 
1 1 1 -11 9   36 o 55.295  4.7199  376.881    62.720   373.618    87.042   380.404    90.457   54.620  6.7087  55.066  6.9231  -0.4459076     9.640355 
1 1 1 -11 9   37 o 91.520  5.5625  1033.42    122.938  1004.58    151.672  1088.65    209.909  89.787  7.0177  92.515  9.4851  -2.727448      11.79893 
1 1 1 -11 9   38 o 41.520  6.8518  218.923    66.620   259.319    78.911   118.689    124.301  45.103  7.4720  32.778  11.986  12.32491       14.12431 
1 1 1 -11 9   39 o 143.722 6.2377  2552.96    217.528  2696.66    279.905  2333.83    345.656  146.711 7.8919  134.705 10.663  12.00558       13.26543 
1 1 1 -11 9   40 o 102.780 4.5338  1295.00    113.067  1336.83    158.691  1251.88    161.138  103.736 6.3350  100.250 6.6624  3.486130       9.193418 
1 1 1 -11 9   41 f 48.668  8.6463  306.872    98.361   306.872    98.361   0.0000     0.0000   48.668  8.6463  ?       ?       0.000000       8.646283 
1 1 1 -11 9   42 o 130.471 6.5676  2122.96    207.250  2122.96    207.250  0.0000     0.0000   130.471 6.5676  ?       ?       0.000000       6.567631 
1 1 1 -11 9   43 o 31.920  8.9089  134.006    71.629   245.018    182.128  113.694    77.907   42.612  14.611  29.852  9.5306  12.76022       17.44477 
1 1 1 -11 9   44 o 31.361  8.8432  129.748    70.199   87.621     184.032  136.921    75.941   33.704  13.902  32.177  9.2402  1.527020       16.69239 
1 1 1 -11 9   45 o 32.444  6.9730  137.250    53.258   180.676    86.982   111.206    67.362   36.603  9.6548  29.165  8.7909  7.438534       13.05733 
1 1 1 -11 9   46 o 14.318  6.3811  -15.1410   44.887   60.529     72.501   -62.1747   57.159   24.166  9.0947  13.730  6.4928  10.43590       11.17449 
1 1 1 -11 9   47 o 34.203  8.3322  156.537    68.510   291.601    197.243  138.007    73.059   44.398  15.206  32.044  9.0165  12.35423       17.67791 
1 1 1 -11 9   48 o 12.891  5.9003  -26.1368   41.491   -37.2862   65.915   -18.8198   53.398   16.304  7.4528  15.471  6.9226  0.8337059      10.17189 
1 1 1 -11 9   49 o 74.412  7.7162  716.612    137.294  0.0000     0.0000   716.612    137.294  ?       ?       74.412  7.7162  0.000000       7.716155 
1 1 1 -11 9   50 o 18.820  8.7858  -77.6861   98.920   0.0000     0.0000   -77.6861   98.920   ?       ?       18.820  8.7858  0.000000       8.785798 
1 1 1 -11 9   51 o 17.296  7.7475  -22.4900   67.067   -52.2406   71.475   196.636    193.977  16.355  7.5781  38.708  14.803  -22.35269      16.62968 
1 1 1 -11 9   52 o 52.464  7.9627  361.575    98.180   318.601    107.513  577.343    240.908  48.438  9.4871  60.326  16.141  -11.88776      18.72299 
1 1 1 -11 9   53 o 37.649  7.7039  188.723    68.006   248.942    84.581   78.605     114.376  43.066  8.3958  28.186  11.195  14.87980       13.99381 
1 1 1 -11 10  1  o 258.695 5.6939  8127.62    357.409  8125.54    503.619  8129.73    507.306  258.530 8.0284  258.593 8.0852  -0.6286621E-01 11.39408 
1 1 1 -11 10  2  o 309.611 6.6021  11646.05   495.977  11878.81   699.764  11411.07   703.083  312.480 9.2292  306.245 9.4618  6.235382       13.21758 
1 1 1 -11 10  3  o 377.398 7.8097  17314.21   715.152  18002.43   1009.76  16621.54   1013.01  384.472 10.824  369.369 11.303  15.10376       15.64970 
1 1 1 -11 10  4  o 507.321 10.039  31330.49   1235.72  31601.64   1745.70  31058.17   1749.45  508.666 14.144  504.237 14.299  4.429962       20.11253 
1 1 1 -11 10  5  o 321.276 6.7553  12542.33   526.609  13135.19   743.166  11944.43   746.320  328.546 9.3224  313.248 9.8191  15.29745       13.53962 
1 1 1 -11 10  6  o 275.748 5.8597  9236.33    392.057  9550.41    553.186  8919.36    555.727  280.236 8.1355  270.793 8.4579  9.442810       11.73547 
1 1 1 -11 10  7  o 464.796 9.4035  26297.92   1060.52  26425.17   1498.78  26170.34   1500.82  465.142 13.280  462.875 13.363  2.267700       18.83926 
1 1 1 -11 10  8  o 152.283 4.2543  2815.55    157.198  2823.65    222.121  2807.42    222.504  152.446 6.0049  152.006 6.0327  0.4397583      8.511917 
1 1 1 -11 10  9  o 119.234 3.8579  1725.93    111.613  1730.81    157.452  1721.01    158.239  119.363 5.4365  119.023 5.4792  0.3395157      7.718609 
1 1 1 -11 10  10 o 273.302 6.1244  9078.96    406.134  8876.78    573.798  9281.92    574.922  269.976 8.7593  276.089 8.5821  -6.113434      12.26290 
1 1 1 -11 10  11 o 231.759 5.3760  6526.91    302.314  6716.69    427.196  6336.52    427.879  234.925 7.4943  228.157 7.7290  6.768143       10.76580 
1 1 1 -11 10  12 o 174.259 4.5372  3688.81    191.845  3779.80    270.904  3597.27    271.718  176.287 6.3333  171.965 6.5120  4.321365       9.083888 
1 1 1 -11 10  13 o 175.570 4.5077  3745.07    192.030  3839.25    271.793  3651.20    271.351  177.642 6.3056  173.225 6.4559  4.416809       9.024370 
1 1 1 -11 10  14 o 283.119 8.7206  9783.01    599.070  9574.03    823.956  10017.38   872.557  279.293 12.158  285.567 12.593  -6.273773      17.50447 
1 1 1 -11 10  15 o 279.030 8.7725  9508.67    593.936  9877.46    816.679  9094.62    865.337  283.612 11.868  271.777 13.122  11.83487       17.69274 
1 1 1 -11 10  16 o 406.330 11.807  20288.69   1164.08  19902.77   1621.23  20699.40   1672.50  399.904 16.708  407.706 16.907  -7.802185      23.76947 
1 1 1 -11 10  17 o 226.818 7.4360  6274.37    409.242  6091.28    554.950  6492.63    605.915  222.956 10.258  230.048 10.855  -7.091309      14.93521 
1 1 1 -11 10  18 f 171.774 4.4863  3586.53    186.985  3631.48    262.122  3539.96    266.814  172.692 6.2556  170.482 6.4501  2.209717       8.985292 
1 1 1 -11 10  19 o 193.013 4.8367  4529.58    226.517  4474.01    318.647  4586.36    322.066  191.615 6.8536  194.007 6.8417  -2.392426      9.684019 
1 1 1 -11 10  20 o 309.453 6.6160  11665.34   496.770  11482.81   701.838  11848.59   703.242  306.377 9.4410  311.253 9.3117  -4.876495      13.26043 
1 1 1 -11 10  21 o 227.952 5.3625  6321.13    296.601  6041.34    418.728  6602.87    420.190  222.522 7.7552  232.686 7.4424  -10.16354      10.74863 
1 1 1 -11 10  22 o 116.842 4.1956  1659.06    118.949  1559.71    168.644  1757.42    167.798  113.012 6.1735  120.166 5.7549  -7.154457      8.439843 
1 1 1 -11 10  23 o 67.617  5.5507  560.080    90.266   584.044    186.844  552.784    103.094  67.990  11.751  67.062  6.4139  0.9278412      13.38730 
1 1 1 -11 10  24 o 197.059 7.2252  4736.30    345.469  4307.83    520.915  5072.72    461.582  186.823 11.548  203.574 9.3446  -16.75134      14.85527 
1 1 1 -11 10  25 o 183.722 6.7788  4115.33    302.191  4422.28    462.266  3886.27    399.332  189.626 10.083  177.917 9.2824  11.70837       13.70519 
1 1 1 -11 10  26 o 129.264 6.2462  2036.34    195.910  1889.83    309.992  2133.77    252.792  123.608 10.433  131.906 7.9353  -8.297493      13.10802 
1 1 1 -11 10  27 o 33.063  6.7197  138.184    52.071   179.321    67.637   78.325     81.590   37.634  7.6673  27.302  9.7471  10.33167       12.40141 
1 1 1 -11 10  28 o 231.294 5.5776  6519.10    313.021  6653.81    443.329  6385.17    442.030  233.169 7.8359  228.378 7.9769  4.791656       11.18180 
1 1 1 -11 10  29 o 155.169 4.3958  2930.41    165.503  3095.83    233.424  2763.19    234.696  159.263 6.0404  150.403 6.4311  8.859772       8.823018 
1 1 1 -11 10  30 o 180.141 4.8081  3954.70    210.160  3998.09    297.574  3911.52    296.848  180.725 6.7860  178.744 6.8445  1.981140       9.638259 
1 1 1 -11 10  31 o 72.835  4.2448  648.424    74.692   644.241    103.867  652.903    107.487  72.336  5.9712  72.793  6.1430  -0.4571686     8.566855 
1 1 1 -11 10  32 o 54.776  4.7446  368.896    62.436   371.620    84.601   365.638    92.527   54.664  6.5062  54.062  7.2351  0.6024132      9.730183 
1 1 1 -11 10  33 o 78.482  4.2028  753.445    79.742   688.717    110.148  824.734    115.594  74.669  6.1337  81.813  5.8619  -7.144218      8.484350 
1 1 1 -11 10  34 o 133.500 4.3950  2176.86    142.364  2152.56    201.402  2201.12    201.263  132.291 6.2744  133.796 6.1995  -1.505386      8.820518 
1 1 1 -11 10  35 o 110.663 4.1516  1495.78    111.478  1539.07    156.940  1451.70    158.377  111.750 5.8079  108.453 6.0425  3.297073       8.381124 
1 1 1 -11 10  36 o 168.299 6.6128  3500.90    270.044  3606.97    352.069  3349.31    420.878  169.567 8.5850  161.860 10.778  7.706497       13.77932 
1 1 1 -11 10  37 o 118.689 5.7639  1735.15    165.994  1691.60    210.432  1806.88    270.078  116.366 7.4926  119.311 9.4055  -2.944328      12.02509 
1 1 1 -11 10  38 o 101.543 5.6662  1274.05    139.050  1248.18    172.222  1322.48    235.672  99.972  7.1469  101.748 9.6618  -1.775772      12.01788 
1 1 1 -11 10  39 o 79.388  4.5192  774.944    86.692   802.698    124.409  748.746    120.871  80.260  6.4426  77.485  6.4887  2.775787       9.143879 
1 1 1 -11 10  40 o 138.666 4.6735  2360.28    157.245  2471.81    222.993  2249.97    221.769  141.133 6.5118  134.344 6.8257  6.789047       9.433662 
1 1 1 -11 10  41 o 28.142  10.035  90.578     86.460   90.578     86.460   0.0000     0.0000   28.142  10.035  ?       ?       0.000000       10.03524 
1 1 1 -11 10  42 o 44.885  15.501  275.569    205.151  275.569    205.151  0.0000     0.0000   44.885  15.501  ?       ?       0.000000       15.50055 
1 1 1 -11 10  43 o 36.048  8.6662  172.200    74.867   90.360     199.173  185.666    80.792   34.711  14.402  37.357  9.0161  -2.646526      16.99102 
1 1 1 -11 10  44 o 27.166  7.7256  96.252     53.342   61.879     80.104   123.639    71.501   24.980  9.5220  30.624  9.0160  -5.644453      13.11324 
1 1 1 -11 10  45 o 21.717  7.7307  53.339     51.288   147.708    80.939   -9.9747    66.297   33.165  9.5439  18.022  7.9051  15.14321       12.39259 
1 1 1 -11 10  46 o 21.564  8.2003  45.549     59.319   471.740    212.669  9.5942     61.770   55.600  15.288  18.735  7.9128  36.86490       17.21456 
1 1 1 -11 10  47 o 37.183  6.5665  179.189    57.078   269.891    87.187   111.162    75.507   45.123  8.2679  29.142  9.3909  15.98193       12.51190 
1 1 1 -11 10  48 o 31.780  9.5584  136.214    79.700   0.0000     0.0000   136.214    79.700   ?       ?       31.780  9.5584  0.000000       9.558355 
1 1 1 -11 10  49 o 45.423  10.723  287.643    116.290  0.0000     0.0000   287.643    116.290  ?       ?       45.423  10.723  0.000000       10.72324 
1 1 1 -11 10  50 o 32.365  8.3461  140.576    65.967   115.060    80.255   193.723    115.826  29.649  9.6912  37.249  11.585  -7.600410      15.10404 
1 1 1 -11 10  51 o 36.262  9.5112  180.151    84.723   238.756    91.170   -190.8111  229.375  41.921  9.2143  26.901  12.804  15.01982       15.77505 
1 1 1 -11 10  52 o 32.426  9.7225  143.699    82.556   116.531    89.656   295.151    211.685  29.913  10.252  43.826  15.694  -13.91361      18.74597 
1 1 1 -11 11  1  o 149.886 4.0958  2727.17    148.958  2844.28    209.393  2607.19    211.947  153.030 5.6392  146.504 5.9623  6.526535       8.206711 
1 1 1 -11 11  2  o 140.557 4.0394  2398.24    137.764  2509.53    193.600  2284.07    196.078  143.745 5.5507  137.126 5.8931  6.618561       8.095623 
1 1 1 -11 11  3  o 233.043 5.2803  6595.41    298.578  6687.63    420.658  6501.78    423.867  234.553 7.3914  231.261 7.5538  3.292191       10.56842 
1 1 1 -11 11  4  o 254.254 5.7642  7852.47    355.606  7786.49    501.331  7919.29    504.488  253.026 8.1657  255.176 8.1479  -2.149887      11.53553 
1 1 1 -11 11  5  o 77.089  3.6545  721.355    68.358   751.886    96.162   690.167    97.192   78.522  5.0743  75.192  5.3623  3.329895       7.382610 
1 1 1 -11 11  6  o 143.719 4.1197  2507.64    143.664  2653.64    201.963  2358.09    204.402  147.799 5.6317  139.311 6.0469  8.487366       8.263228 
1 1 1 -11 11  7  o 223.207 5.1566  6051.45    279.277  6032.78    393.642  6070.37    396.287  222.732 7.2838  223.423 7.3100  -0.6909485     10.31937 
1 1 1 -11 11  8  o 156.797 4.3631  2985.45    165.997  2962.68    233.956  3008.53    235.561  156.126 6.1758  157.330 6.1706  -1.203796      8.730257 
1 1 1 -11 11  9  o 160.757 4.3419  3138.39    169.361  3118.55    238.879  3158.45    240.151  160.167 6.1467  161.189 6.1403  -1.021576      8.688174 
1 1 1 -11 11  10 o 146.329 4.1677  2600.39    147.976  2709.69    209.113  2490.76    209.428  149.302 5.7723  143.130 6.0303  6.171524       8.347717 
1 1 1 -11 11  11 o 62.831  4.0007  481.385    60.675   435.263    85.121   529.025    86.510   59.531  5.9735  65.743  5.4729  -6.212612      8.101536 
1 1 1 -11 11  12 o 257.261 5.8261  8049.43    363.680  7957.48    513.865  8141.71    514.779  255.462 8.2901  258.415 8.2099  -2.952820      11.66739 
1 1 1 -11 11  13 o 164.682 6.1334  3300.27    245.083  2901.81    324.021  3833.03    374.668  153.941 8.7104  177.202 8.7139  -23.26106      12.32086 
1 1 1 -11 11  14 o 216.593 7.2120  5717.69    379.021  5517.67    513.587  5956.92    561.668  212.328 9.9688  220.513 10.497  -8.185089      14.47659 
1 1 1 -11 11  15 o 103.883 5.3801  1316.31    135.148  1324.55    174.866  1304.09    212.976  104.020 6.9685  102.969 8.6032  1.051773       11.07136 
1 1 1 -11 11  16 o 163.514 6.2854  3256.10    249.375  3467.17    331.689  2981.67    378.211  168.518 8.1119  155.695 10.065  12.82281       12.92722 
1 1 1 -11 11  17 o 16.796  6.3552  24.426     35.516   19.378     51.317   29.066     49.203   18.575  7.4582  19.247  7.4310  -0.6715965     10.52828 
1 1 1 -11 11  18 o 104.235 3.8912  1320.03    98.414   1429.92    138.108  1206.66    140.272  108.423 5.2497  99.399  5.8417  9.024109       7.853957 
1 1 1 -11 11  19 f 120.127 3.9928  1753.36    116.381  1751.15    161.469  1755.76    167.894  119.967 5.5471  120.111 5.7609  -0.1439819     7.997343 
1 1 1 -11 11  20 o 171.485 4.6459  3575.01    193.313  3580.33    272.184  3569.60    274.603  171.439 6.5432  171.175 6.6115  0.2643585      9.301908 
1 1 1 -11 11  21 o 12.031  5.6829  -50.5757   43.563   -66.5692   51.934   -12.6090   80.017   12.832  6.1034  20.240  8.7844  -7.408216      10.69654 
1 1 1 -11 11  22 o 172.582 4.7116  3621.44    197.299  3649.55    277.617  3592.76    280.451  173.066 6.6110  171.700 6.7317  1.365707       9.435107 
1 1 1 -11 11  23 o 291.319 9.1673  10385.23   647.995  10338.97   952.096  10425.15   884.446  289.194 13.568  290.794 12.535  -1.599823      18.47228 
1 1 1 -11 11  24 o 284.482 9.0487  9905.60    624.606  9779.29    920.437  10013.41   850.370  281.154 13.492  284.966 12.298  -3.812164      18.25634 
1 1 1 -11 11  25 o 98.837  6.3340  1195.48    151.101  1602.01    260.622  989.638    185.450  113.931 9.5147  89.525  8.6448  24.40628       12.85547 
1 1 1 -11 11  26 o 58.986  4.8396  426.188    68.656   430.493    95.587   421.599    98.674   59.012  6.8001  58.339  7.1184  0.6736221      9.844429 
1 1 1 -11 11  27 o 83.694  4.2803  854.222    86.632   937.409    121.583  768.431    123.471  87.510  5.7582  79.089  6.4913  8.420815       8.677198 
1 1 1 -11 11  28 f 57.401  4.7739  403.959    65.887   319.464    91.869   493.446    94.544   50.503  7.7440  63.274  6.2393  -12.77075      9.944755 
1 1 1 -11 11  29 o 100.725 4.1760  1234.96    102.061  1120.21    144.166  1350.25    144.506  95.534  6.2538  105.020 5.6921  -9.486206      8.456366 
1 1 1 -11 11  30 o 80.678  4.2727  795.107    83.345   754.392    116.459  837.854    119.328  78.283  6.1815  82.558  5.9979  -4.275093      8.613085 
1 1 1 -11 11  31 o 72.680  4.2169  645.988    74.046   601.212    103.344  693.225    106.146  69.784  6.1667  75.028  5.8777  -5.243507      8.519139 
1 1 1 -11 11  32 o 41.348  5.5028  212.901    53.837   238.594    71.740   179.778    81.455   43.492  7.0386  37.305  9.0837  6.187103       11.49149 
1 1 1 -11 11  33 o 85.171  4.2001  885.442    86.800   842.683    120.121  932.166    125.567  82.611  6.0344  86.919  5.9904  -4.307503      8.502837 
1 1 1 -11 11  34 o 72.113  4.3014  637.636    74.922   601.052    103.163  678.468    108.989  69.613  6.1715  74.004  6.1247  -4.390472      8.694833 
1 1 1 -11 11  35 o 67.887  4.4225  566.108    72.450   500.340    99.363   640.768    105.867  63.320  6.5625  71.852  6.1310  -8.532089      8.980843 
1 1 1 -11 11  36 o 88.438  5.6830  966.721    121.304  1055.41    151.112  806.005    203.421  92.059  6.8134  78.751  10.941  13.30807       12.88942 
1 1 1 -11 11  37 o 131.440 7.7077  2162.82    244.744  2162.82    244.744  0.0000     0.0000   131.440 7.7077  ?       ?       0.000000       7.707694 
1 1 1 -11 11  38 o 152.252 4.6700  2843.26    172.521  2698.97    244.578  2986.15    243.390  147.423 6.8374  155.260 6.4607  -7.836884      9.406943 
1 1 1 -11 11  39 o 118.550 4.4975  1723.56    129.371  1816.89    183.732  1631.80    182.193  120.949 6.2823  114.474 6.5872  6.475517       9.102608 
1 1 1 -11 11  40 o 63.736  7.6992  516.247    116.655  516.247    116.655  0.0000     0.0000   63.736  7.6992  ?       ?       0.000000       7.699246 
1 1 1 -11 11  41 o 29.897  13.609  -78.9291   216.932  -78.9291   216.932  0.0000     0.0000   29.897  13.609  ?       ?       0.000000       13.60945 
1 1 1 -11 11  42 o 15.455  6.9393  -22.4672   54.148   -129.1731  224.060  -15.8488   55.802   28.799  13.370  16.158  7.1628  12.64088       15.16747 
1 1 1 -11 11  43 o 38.889  8.3669  199.846    76.608   208.355    230.732  198.792    81.216   41.212  16.041  38.634  8.8533  2.577301       18.32229 
1 1 1 -11 11  44 o 43.511  6.1735  241.201    63.350   350.499    96.000   156.894    84.314   51.933  7.8647  34.123  9.7159  17.80907       12.50005 
1 1 1 -11 11  45 f 64.472  6.2307  526.305    96.255   629.907    270.989  511.347    102.969  62.772  17.257  63.286  6.8130  -0.5139236     18.55271 
1 1 1 -11 11  46 o 51.576  5.5679  335.817    68.575   403.514    105.939  286.996    89.966   55.474  8.1100  46.564  8.2655  8.910694       11.57977 
1 1 1 -11 11  47 o 39.938  6.2323  205.108    58.423   253.225    86.561   164.850    79.177   43.538  8.4989  34.794  9.2275  8.743530       12.54504 
1 1 1 -11 11  48 o 22.753  9.7107  14.634     94.698   0.0000     0.0000   14.634     94.698   ?       ?       22.753  9.7107  0.000000       9.710704 
1 1 1 -11 11  49 o 67.829  5.1995  576.011    84.923   588.699    111.934  558.803    130.358  67.796  6.9007  65.209  8.4367  2.587311       10.89939 
1 1 1 -11 11  50 o 24.026  8.9128  63.291     69.139   110.321    76.698   -140.6532  159.717  29.038  9.4732  22.858  10.822  6.180204       14.38288 
1 1 1 -11 11  51 o 25.618  9.2825  77.186     74.306   100.214    79.618   -78.3390   206.910  28.063  9.6584  28.074  12.968  -0.1164627E-01 16.16913 
1 1 1 -11 11  52 o 10.392  5.1720  -125.2832  51.454   -53.8093   60.545   -311.1248  97.628   14.568  6.8244  12.811  6.4740  1.757790       9.406627 
1 1 1 -11 12  1  o 553.068 10.846  37278.75   1455.48  37698.06   2056.13  36857.63   2060.59  554.937 15.270  548.649 15.479  6.288025       21.74320 
1 1 1 -11 12  2  o 393.733 8.0827  18856.24   772.188  18684.90   1090.06  19028.84   1094.03  391.428 11.477  395.026 11.414  -3.597321      16.18658 
1 1 1 -11 12  3  o 343.853 7.2321  14374.97   603.395  14420.78   851.643  14328.80   855.027  344.038 10.202  342.929 10.276  1.109406       14.48005 
1 1 1 -11 12  4  o 181.543 4.5628  4002.01    200.989  4174.75    283.023  3826.25    285.477  185.346 6.2933  177.424 6.6312  7.921112       9.142110 
1 1 1 -11 12  5  o 216.390 5.0721  5687.40    266.313  5790.51    375.335  5582.86    377.925  218.223 7.0885  214.262 7.2694  3.960999       10.15337 
1 1 1 -11 12  6  o 168.610 4.3753  3452.25    179.002  3366.30    251.906  3539.91    254.407  166.418 6.2384  170.661 6.1437  -4.242386      8.755734 
1 1 1 -11 12  7  o 176.118 4.5403  3767.12    194.021  3773.01    273.274  3761.13    275.515  176.162 6.3932  175.880 6.4560  0.2814331      9.085900 
1 1 1 -11 12  8  o 220.759 5.2652  5921.88    282.029  6048.49    397.953  5794.13    399.751  222.938 7.3567  218.182 7.5510  4.756027       10.54226 
1 1 1 -11 12  9  o 120.043 3.8871  1749.95    113.221  1760.90    159.556  1738.84    160.686  120.362 5.4633  119.603 5.5370  0.7590866      7.778558 
1 1 1 -11 12  10 o 101.657 3.7813  1255.00    93.271   1335.18    131.672  1174.25    132.141  104.809 5.1776  98.118  5.5734  6.690796       7.607289 
1 1 1 -11 12  11 o 160.950 4.3057  3147.30    168.152  3173.09    236.973  3121.15    238.640  161.497 6.0474  160.162 6.1407  1.334290       8.618580 
1 1 1 -11 12  12 o 205.444 7.0095  5141.82    349.418  5071.29    471.960  5227.37    519.799  203.671 9.5502  206.378 10.414  -2.707016      14.12989 
1 1 1 -11 12  13 o 244.703 8.0123  7307.08    475.730  7692.61    649.059  6859.54    699.316  250.511 10.678  235.868 12.261  14.64333       16.25929 
1 1 1 -11 12  14 f 65.693  5.7182  529.152    90.238   599.096    108.485  372.078    162.571  69.836  6.4758  53.909  12.647  15.92667       14.20827 
1 1 1 -11 12  15 o 117.591 5.5908  1682.71    159.520  1831.85    207.029  1464.78    250.262  122.388 7.0006  108.986 9.5603  13.40221       11.84933 
1 1 1 -11 12  16 o 59.061  4.0419  425.844    57.576   520.591    81.266   330.355    81.584   65.218  5.1781  51.649  6.6655  13.56882       8.440476 
1 1 1 -11 12  17 o 58.191  4.0063  413.390    56.223   420.540    80.019   406.418    79.012   58.509  5.7093  57.505  5.7394  1.003922       8.095487 
1 1 1 -11 12  18 f 142.473 4.1673  2466.74    144.064  2573.74    204.229  2360.76    203.248  145.418 5.7881  139.254 6.0153  6.164536       8.347789 
1 1 1 -11 12  19 o 150.383 4.4119  2748.83    160.987  2737.06    226.618  2760.83    228.737  149.921 6.2297  150.568 6.2610  -0.6469421     8.832270 
1 1 1 -11 12  20 o 87.298  4.2558  926.224    90.147   924.768    123.017  927.914    132.482  86.965  5.8641  87.059  6.3146  -0.9412384E-01 8.617504 
1 1 1 -11 12  21 o 49.396  5.3763  300.363    63.397   262.182    82.625   355.017    98.855   45.733  7.7208  53.367  7.8704  -7.633877      11.02513 
1 1 1 -11 12  22 o 111.609 6.2003  1521.91    167.248  1527.98    277.486  1518.45    209.597  111.129 10.412  111.253 7.8140  -0.1243210     13.01818 
1 1 1 -11 12  23 o 151.203 6.3700  2785.99    233.704  3075.84    372.943  2598.57    299.890  158.111 9.7690  145.531 8.5299  12.58023       12.96889 
1 1 1 -11 12  24 o 191.406 7.0329  4470.36    326.629  4670.30    503.535  4325.11    429.172  194.623 10.704  187.605 9.4585  7.018127       14.28416 
1 1 1 -11 12  25 o 124.153 4.2639  1874.34    128.450  1968.53    184.534  1785.81    178.907  127.092 5.9840  120.885 6.1194  6.207092       8.558930 
1 1 1 -11 12  26 f 83.206  4.2139  844.187    84.799   922.298    119.842  765.864    120.005  86.804  5.7220  78.982  6.3147  7.821487       8.521576 
1 1 1 -11 12  27 o 10.710  5.2235  -81.5668   44.190   -144.2470  57.379   9.8048     69.278   11.013  5.4778  20.241  8.4537  -9.228161      10.07326 
1 1 1 -11 12  28 o 91.517  4.1890  1019.49    93.019   1029.54    132.773  1009.79    130.359  91.615  6.0060  90.737  5.9540  0.8781433      8.457068 
1 1 1 -11 12  29 o 19.308  7.1432  35.735     44.351   48.380     57.713   17.499     69.309   22.184  8.1589  20.781  8.5465  1.403378       11.81568 
1 1 1 -11 12  30 o 15.876  6.7868  -1.2533    46.395   -17.1031   61.287   20.022     71.006   17.141  7.5570  21.161  8.6706  -4.019545      11.50161 
1 1 1 -11 12  31 o 24.080  7.4015  71.576     47.436   79.674     62.506   60.578     72.843   25.905  8.5569  24.753  9.1551  1.151903       12.53140 
1 1 1 -11 12  32 o 93.241  4.2402  1061.24    95.931   1091.25    136.223  1031.72    135.119  94.079  5.9988  91.435  6.1258  2.644333       8.573812 
1 1 1 -11 12  33 o 55.757  5.3848  384.783    71.943   389.607    90.960   376.724    117.571  55.769  6.8670  54.145  9.2831  1.623638       11.54696 
1 1 1 -11 12  34 o 89.480  4.2449  978.791    92.163   979.588    131.834  978.030    128.892  88.946  6.1463  88.914  6.0097  0.3202057E-01  8.596097 
1 1 1 -11 12  35 o 61.949  5.9147  477.131    87.826   445.211    106.676  544.288    154.731  59.360  7.5795  64.790  10.178  -5.430668      12.69008 
1 1 1 -11 12  36 o 108.135 5.6803  1444.58    148.517  1327.78    186.079  1649.57    246.513  102.970 7.4992  114.085 8.9778  -11.11533      11.69782 
1 1 1 -11 12  37 o 143.925 4.6016  2540.03    160.697  2650.03    230.498  2436.00    224.155  146.241 6.4958  140.168 6.5908  6.073196       9.253865 
1 1 1 -11 12  38 o 75.826  4.6704  708.257    85.510   791.161    126.206  637.902    116.262  79.579  6.5956  71.335  6.7992  8.243538       9.472653 
1 1 1 -11 12  39 o 52.227  8.3172  351.458    101.864  351.458    101.864  0.0000     0.0000   52.227  8.3172  ?       ?       0.000000       8.317204 
1 1 1 -11 12  40 o 28.547  10.272  92.942     90.782   92.942     90.782   0.0000     0.0000   28.547  10.272  ?       ?       0.000000       10.27201 
1 1 1 -11 12  41 f 72.398  6.7779  661.189    117.679  587.242    277.107  677.459    129.983  62.006  17.600  73.009  7.4415  -11.00274      19.10827 
1 1 1 -11 12  42 o 68.116  6.8892  588.387    112.298  595.023    263.497  586.914    124.136  62.329  16.967  67.674  7.6967  -5.345272      18.63157 
1 1 1 -11 12  43 o 67.998  5.0670  575.823    83.001   642.968    122.811  519.367    112.613  70.958  7.2342  63.617  7.4357  7.340958       10.37415 
1 1 1 -11 12  44 o 33.154  7.3358  144.746    57.450   82.812     89.033   188.930    75.200   27.207  10.110  37.608  8.4473  -10.40098      13.17441 
1 1 1 -11 12  45 o 37.834  6.9641  186.718    61.575   260.722    97.589   137.766    79.369   43.803  9.4587  31.962  9.5217  11.84141       13.42118 
1 1 1 -11 12  46 o 37.069  6.5635  178.363    56.875   192.340    85.213   167.134    76.377   37.507  9.3859  35.089  8.9441  2.417992       12.96507 
1 1 1 -11 12  47 o 46.110  10.716  297.074    117.609  0.0000     0.0000   297.074    117.609  ?       ?       46.110  10.716  0.000000       10.71589 
1 1 1 -11 12  48 o 13.685  6.3784  -44.1332   51.820   -46.6973   61.652   -37.9620   95.647   15.154  7.0274  20.085  9.1015  -4.930641      11.49877 
1 1 1 -11 12  49 o 36.704  7.8042  179.085    67.363   174.353    86.936   186.195    106.563  35.620  9.7667  36.542  11.066  -0.9223824     14.75973 
1 1 1 -11 12  50 o 49.196  7.6902  317.788    88.793   352.237    100.258  192.480    191.212  51.539  8.2989  38.053  14.661  13.48641       16.84677 
1 1 1 -11 12  51 o 22.160  8.2606  53.004     59.534   31.267     71.149   103.759    108.719  21.336  8.7035  29.528  11.132  -8.192207      14.13062 
1 1 1 -11 13  1  o 298.694 6.3310  10843.26   458.843  10837.78   646.720  10848.83   651.106  298.355 8.9334  298.501 8.9896  -0.1454163     12.67360 
1 1 1 -11 13  2  o 179.073 4.6041  3894.19    200.051  3923.67    281.171  3863.96    284.693  179.666 6.4497  178.287 6.5810  1.379410       9.214589 
1 1 1 -11 13  3  o 301.282 6.3907  11033.83   467.179  10980.87   658.975  11087.34   662.419  300.266 9.0448  301.718 9.0483  -1.451782      12.79376 
1 1 1 -11 13  4  o 32.369  5.1260  130.406    38.918   105.511    55.122   155.152    54.955   28.945  7.7102  35.141  6.6895  -6.196016      10.20764 
1 1 1 -11 13  5  o 265.049 5.8599  8538.58    376.861  8486.99    531.416  8590.77    534.521  264.004 8.2958  265.613 8.2937  -1.609497      11.73060 
1 1 1 -11 13  6  o 225.801 5.2992  6195.63    290.333  6139.87    409.137  6252.18    412.063  224.600 7.5075  226.646 7.4929  -2.046341      10.60692 
1 1 1 -11 13  7  o 155.085 4.2913  2921.27    161.482  2931.66    227.124  2910.65    229.635  155.274 6.0284  154.711 6.1172  0.5624084      8.588457 
1 1 1 -11 13  8  o 189.936 4.7291  4383.40    217.948  4278.56    307.243  4489.58    309.216  187.502 6.7532  192.081 6.6346  -4.578461      9.466995 
1 1 1 -11 13  9  o 211.086 4.9995  5415.78    256.066  5474.71    361.099  5356.17    363.173  212.040 7.0185  209.719 7.1370  2.321167       10.00977 
1 1 1 -11 13  10 o 229.110 7.5377  6397.77    419.031  6453.64    570.535  6332.33    617.440  229.661 10.238  227.304 11.195  2.356857       15.17074 
1 1 1 -11 13  11 o 191.034 6.6899  4444.93    310.094  4361.92    417.637  4546.92    462.931  188.925 9.1106  192.506 9.9447  -3.581421      13.48703 
1 1 1 -11 13  12 o 159.376 6.1768  3092.70    238.863  3075.06    315.601  3116.34    365.465  158.491 8.2351  159.320 9.4971  -0.8287811     12.57026 
1 1 1 -11 13  13 o 211.157 7.1866  5436.78    368.210  5438.96    496.856  5434.13    548.407  210.760 9.7158  210.176 10.790  0.5844574      14.51968 
1 1 1 -11 13  14 o 54.992  6.0779  372.690    79.744   410.117    94.147   277.658    150.018  57.604  6.8714  46.726  12.837  10.87765       14.56049 
1 1 1 -11 13  15 o 36.803  5.1714  167.970    44.906   206.495    63.634   129.750    63.381   40.641  6.6856  31.989  8.1443  8.651361       10.53693 
1 1 1 -11 13  16 o 161.786 4.3995  3181.53    172.705  3257.44    244.767  3106.27    243.720  163.557 6.1677  159.705 6.2894  3.851761       8.808898 
1 1 1 -11 13  17 o 196.923 4.8591  4715.48    232.176  4939.65    329.211  4493.64    327.490  201.337 6.7389  191.995 7.0298  9.341721       9.738101 
1 1 1 -11 13  18 o 201.282 5.0300  4927.45    245.661  4837.18    348.035  5017.09    346.804  199.171 7.2017  202.863 7.0456  -3.692245      10.07491 
1 1 1 -11 13  19 o 120.715 4.1317  1770.91    121.018  1817.65    170.460  1723.41    171.839  122.200 5.7489  118.826 5.9791  3.374207       8.294554 
1 1 1 -11 13  20 o 113.612 4.1990  1568.79    115.753  1529.15    158.734  1613.81    169.161  111.920 5.8656  114.958 6.0862  -3.037895      8.452668 
1 1 1 -11 13  21 o 101.277 6.0033  1253.47    146.867  1457.06    245.091  1139.41    183.453  108.692 9.3853  96.272  7.9238  12.41970       12.28289 
1 1 1 -11 13  22 o 54.338  7.8458  367.951    100.448  59.123     196.465  477.251    116.879  35.308  14.440  62.007  7.9517  -26.69876      16.48444 
1 1 1 -11 13  23 o 188.427 6.9829  4332.22    319.260  4740.27    495.545  4042.66    417.440  196.140 10.450  181.335 9.5207  14.80536       14.13680 
1 1 1 -11 13  24 o 335.158 7.0714  13715.18   575.066  13309.12   814.465  14118.85   812.073  329.031 10.202  339.034 9.8716  -10.00323      14.19587 
1 1 1 -11 13  25 o 124.653 4.2250  1889.91    127.789  1809.71    182.241  1967.48    179.240  121.648 6.1946  127.043 5.8146  -5.394501      8.496060 
1 1 1 -11 13  26 o 102.590 4.2155  1280.53    104.935  1353.43    149.204  1209.18    147.611  105.168 5.8704  99.343  6.1540  5.824463       8.504921 
1 1 1 -11 13  27 o 70.852  4.5660  613.926    78.079   600.032    109.696  628.193    111.159  69.744  6.5592  71.388  6.4882  -1.644394      9.226059 
1 1 1 -11 13  28 o 98.923  4.1836  1191.79    100.419  1195.12    142.734  1188.52    141.304  98.685  5.9892  98.419  5.9450  0.2659378      8.438862 
1 1 1 -11 13  29 o 59.297  4.7168  431.681    67.303   316.031    92.999   558.862    97.525   50.054  7.9210  67.293  6.0370  -17.23987      9.959324 
1 1 1 -11 13  30 o 53.282  4.7341  349.397    60.567   343.699    83.965   355.577    87.449   52.457  6.7537  53.333  6.9208  -0.8758965     9.670055 
1 1 1 -11 13  31 o 89.345  4.2896  974.506    92.993   1026.69    130.845  921.240    132.189  91.259  5.9414  86.324  6.3557  4.934937       8.700298 
1 1 1 -11 13  32 o 164.043 4.6751  3292.05    186.085  3194.31    264.004  3388.56    262.331  160.861 6.7639  165.780 6.5216  -4.919403      9.395802 
1 1 1 -11 13  33 o 149.278 4.5761  2727.48    165.749  2635.05    235.348  2818.44    233.473  146.017 6.6426  151.126 6.3670  -5.108597      9.201253 
1 1 1 -11 13  34 o 54.223  6.1042  367.130    78.916   358.399    94.371   387.432    143.907  53.182  7.5232  54.049  11.335  -0.8673439     13.60451 
1 1 1 -11 13  35 o 41.406  7.0777  218.595    68.553   232.382    79.573   178.899    135.021  42.465  8.0167  37.594  12.582  4.871059       14.91897 
1 1 1 -11 13  36 o 104.564 5.7997  1353.09    146.570  1418.92    181.527  1229.77    248.441  106.588 7.0589  97.411  10.687  9.177094       12.80753 
1 1 1 -11 13  37 o 73.004  4.8726  657.612    85.817   640.688    122.521  673.909    120.237  71.364  7.1728  73.323  6.8371  -1.959473      9.909354 
1 1 1 -11 13  38 o 23.206  9.3527  35.735     81.029   35.735     81.029   0.0000     0.0000   23.206  9.3527  ?       ?       0.000000       9.352700 
1 1 1 -11 13  39 o 69.613  7.4973  614.683    124.639  614.683    124.639  0.0000     0.0000   69.613  7.4973  ?       ?       0.000000       7.497330 
1 1 1 -11 13  40 o 35.111  9.2396  163.956    79.784   512.372    240.796  120.990    84.560   58.724  16.315  30.745  9.9412  27.97898       19.10505 
1 1 1 -11 13  41 o 58.023  7.0553  429.188    97.286   114.637    246.981  486.957    105.843  37.856  15.896  61.795  7.1937  -23.93925      17.44835 
1 1 1 -11 13  42 o 47.706  6.1292  288.819    69.307   434.824    107.033  183.394    90.950   57.992  7.8047  36.762  9.9523  21.22987       12.64759 
1 1 1 -11 13  43 o 73.061  4.8587  663.994    85.643   674.695    123.321  654.026    119.028  72.662  7.0848  71.605  6.9378  1.056747       9.916012 
1 1 1 -11 13  44 o 70.546  6.5511  633.393    110.857  806.808    297.506  605.433    119.461  70.724  17.445  68.582  7.2906  2.141731       18.90734 
1 1 1 -11 13  45 o 66.531  4.9667  553.162    79.599   535.528    113.102  570.467    112.045  64.348  7.3771  66.615  7.0386  -2.266380      10.19624 
1 1 1 -11 13  46 o 23.154  8.5920  58.276     64.263   0.0000     0.0000   58.276     64.263   ?       ?       23.154  8.5920  0.000000       8.591970 
1 1 1 -11 13  47 o 27.785  10.642  83.455     100.348  0.0000     0.0000   83.455     100.348  ?       ?       27.785  10.642  0.000000       10.64168 
1 1 1 -11 13  48 f 53.502  5.8165  362.920    74.292   404.675    94.854   296.656    119.492  55.942  7.1517  45.976  10.881  9.966000       13.02064 
1 1 1 -11 13  49 o 20.526  8.4473  24.638     67.763   17.986     74.621   55.918     161.817  20.801  8.7364  29.991  12.744  -9.190201      15.45109 
1 1 1 -11 13  50 o 28.712  9.3321  109.209    74.455   74.496     81.411   286.714    184.095  25.741  9.6471  43.191  14.691  -17.45023      17.57497 
1 1 1 -11 14  1  o 423.821 8.6048  21876.90   884.890  21388.71   1248.95  22368.97   1253.91  418.219 12.308  427.757 12.081  -9.537994      17.24624 
1 1 1 -11 14  2  o 132.766 3.9361  2140.29    126.798  2043.08    177.753  2241.01    180.929  129.658 5.6501  135.800 5.4909  -6.141953      7.878658 
1 1 1 -11 14  3  o 511.124 10.166  31880.46   1260.73  31978.06   1780.99  31782.42   1784.92  510.420 14.380  508.824 14.457  1.595398       20.39133 
1 1 1 -11 14  4  o 92.418  3.6844  1037.06    82.621   1003.53    116.183  1071.36    117.516  90.719  5.3012  93.754  5.1860  -3.035835      7.416025 
1 1 1 -11 14  5  o 119.854 3.8926  1744.44    113.202  1769.73    159.504  1718.78    160.686  120.663 5.4479  118.909 5.5693  1.754753       7.790838 
1 1 1 -11 14  6  o 120.445 3.8458  1761.79    112.393  1799.85    158.070  1722.87    159.841  121.681 5.3538  119.043 5.5338  2.638458       7.699732 
1 1 1 -11 14  7  o 69.939  3.7387  595.745    63.216   557.798    87.976   636.253    90.896   67.517  5.4157  72.157  5.2270  -4.639900      7.526765 
1 1 1 -11 14  8  o 313.422 6.7341  11961.10   512.121  12070.48   722.697  11850.79   725.811  314.294 9.4767  311.390 9.6063  2.903961       13.49401 
1 1 1 -11 14  9  o 126.443 5.6209  1944.96    172.452  1955.56    225.517  1930.04    267.620  126.450 7.3822  125.399 8.8523  1.050751       11.52654 
1 1 1 -11 14  10 f 93.398  5.4330  1064.77    122.592  1219.91    157.180  823.807    195.883  99.869  6.5222  81.407  10.136  18.46178       12.05337 
1 1 1 -11 14  11 o 95.712  5.3248  1117.88    123.173  1170.48    158.599  1037.93    195.524  97.780  6.7257  91.721  8.8975  6.059265       11.15349 
1 1 1 -11 14  12 o 205.904 7.0978  5169.61    354.611  5341.97    479.620  4961.78    526.666  208.900 9.4622  200.766 10.852  8.134659       14.39768 
1 1 1 -11 14  13 o 314.772 6.7537  12075.79   515.823  11837.49   729.284  12314.34   729.685  310.906 9.6673  317.162 9.4818  -6.256470      13.54106 
1 1 1 -11 14  14 o 185.791 4.6771  4196.88    210.844  4169.56    296.963  4224.64    299.410  184.985 6.6161  186.201 6.6270  -1.216522      9.364328 
1 1 1 -11 14  15 o 88.349  3.8603  948.376    82.754   942.920    116.577  953.917    117.491  87.858  5.4961  88.370  5.5068  -0.5119629     7.780253 
1 1 1 -11 14  16 o 219.137 5.1713  5841.38    274.968  5883.14    388.670  5799.54    389.057  219.633 7.2932  218.057 7.3532  1.575516       10.35671 
1 1 1 -11 14  17 o 143.827 4.3074  2514.32    150.322  2507.05    212.206  2521.64    212.971  143.486 6.0951  143.903 6.0994  -0.4165497     8.622841 
1 1 1 -11 14  18 o 246.215 5.7478  7379.36    343.383  7270.29    485.979  7488.10    485.256  243.965 8.2097  247.620 8.0765  -3.654572      11.51641 
1 1 1 -11 14  19 o 275.599 6.1020  9250.56    408.051  9282.31    577.519  9218.90    576.623  275.539 8.6381  274.592 8.6545  0.9468079      12.22772 
1 1 1 -11 14  20 o 90.283  6.1490  997.455    133.900  995.700    217.491  998.526    169.921  89.536  10.193  90.089  7.8519  -0.5525131     12.86639 
1 1 1 -11 14  21 o 110.845 6.0423  1501.13    161.898  1531.37    265.764  1483.29    204.151  111.304 9.9453  109.942 7.7015  1.362297       12.57866 
1 1 1 -11 14  22 o 251.044 8.3108  7709.23    506.243  7488.32    750.742  7893.44    685.562  245.800 12.630  253.194 11.159  -7.393356      16.85379 
1 1 1 -11 14  23 o 304.174 6.6249  11288.60   488.949  10917.09   691.141  11660.84   691.817  298.218 9.5514  308.322 9.2475  -10.10388      13.29456 
1 1 1 -11 14  24 o 117.151 4.1982  1669.26    119.336  1560.15    164.356  1790.93    173.552  112.950 6.0187  121.197 5.9017  -8.246574      8.429409 
1 1 1 -11 14  25 o 86.532  4.1660  910.990    87.471   858.951    122.286  965.513    125.171  83.678  6.0640  88.775  5.8436  -5.096901      8.421407 
1 1 1 -11 14  26 o 46.773  5.1586  269.940    57.571   263.145    77.131   278.488    86.509   45.817  7.1734  47.025  7.8590  -1.208229      10.64058 
1 1 1 -11 14  27 o 102.126 4.1771  1270.20    103.507  1279.21    146.622  1261.25    146.142  102.118 5.9431  101.391 5.9666  0.7264557      8.421496 
1 1 1 -11 14  28 o 44.296  5.8403  244.174    61.241   170.352    87.547   314.909    85.698   36.399  9.7268  50.112  7.2594  -13.71305      12.13715 
1 1 1 -11 14  29 o 20.539  7.3524  44.412     46.453   21.239     62.773   72.465     69.068   20.183  8.1976  25.589  8.9850  -5.405846      12.16266 
1 1 1 -11 14  30 o 89.036  4.2263  967.612    91.304   958.553    128.413  976.873    129.845  88.143  6.0407  88.983  6.0498  -0.8397751     8.549299 
1 1 1 -11 14  31 o 116.975 4.3060  1671.83    122.218  1582.68    173.171  1760.30    172.515  113.183 6.3311  119.649 5.9423  -6.466637      8.682891 
1 1 1 -11 14  32 o 28.532  7.1897  104.792    49.755   152.064    65.841   41.860     75.969   34.272  8.0539  23.308  9.1664  10.96400       12.20191 
1 1 1 -11 14  33 o 44.173  6.8846  247.235    71.385   224.581    83.059   311.266    139.638  41.633  8.5094  48.176  11.993  -6.542862      14.70474 
1 1 1 -11 14  34 o 46.382  6.7337  271.943    73.567   324.369    85.823   126.690    142.853  50.603  7.1921  34.251  12.790  16.35277       14.67379 
1 1 1 -11 14  35 o 94.146  5.7841  1097.67    131.490  1170.09    162.900  962.257    222.750  96.770  6.9847  85.903  10.935  10.86701       12.97506 
1 1 1 -11 14  36 o 25.802  8.2084  82.731     57.829   149.158    85.935   27.751     78.180   33.794  9.8658  22.342  9.1198  11.45234       13.43515 
1 1 1 -11 14  37 o 19.533  8.5785  -14.4324   78.289   -14.4324   78.289   0.0000     0.0000   19.533  8.5785  ?       ?       0.000000       8.578495 
1 1 1 -11 14  38 o 26.382  9.8326  72.471     84.341   72.471     84.341   0.0000     0.0000   26.382  9.8326  ?       ?       0.000000       9.832565 
1 1 1 -11 14  39 o 53.267  7.7011  364.529    96.646   677.974    254.706  311.810    104.458  68.184  15.717  48.634  9.1887  19.55048       18.20635 
1 1 1 -11 14  40 o 39.611  8.7183  208.132    81.521   391.334    230.044  181.821    87.179   51.177  16.381  36.777  9.6488  14.39923       19.01160 
1 1 1 -11 14  41 o 55.340  5.7959  385.561    76.672   420.001    111.778  354.959    105.366  56.729  8.3723  51.943  8.6654  4.786049       12.04926 
1 1 1 -11 14  42 o 55.056  5.5107  381.137    72.628   340.734    107.553  415.004    98.470   50.541  9.1052  56.745  7.3225  -6.204445      11.68438 
1 1 1 -11 14  43 o 14.510  6.5430  -21.5806   48.736   -106.3170  216.991  -17.0791   50.013   28.213  13.117  15.030  6.7144  13.18266       14.73596 
1 1 1 -11 14  44 o 74.832  5.0055  699.510    90.361   779.172    131.294  627.820    124.552  77.946  7.0173  69.649  7.4877  8.296768       10.26192 
1 1 1 -11 14  45 o 25.997  8.9855  83.818     68.946   0.0000     0.0000   83.818     68.946   ?       ?       25.997  8.9855  0.000000       8.985481 
1 1 1 -11 14  46 o 62.454  9.3267  523.803    137.004  0.0000     0.0000   523.803    137.004  ?       ?       62.454  9.3267  0.000000       9.326715 
1 1 1 -11 14  47 o 20.312  7.9050  36.866     56.025   84.420     66.898   -74.8173   102.521  25.973  8.8556  19.292  8.9854  6.680084       12.61581 
1 1 1 -11 14  48 o 50.263  7.7618  331.972    91.613   340.831    103.651  300.341    195.860  50.423  8.7916  44.286  15.152  6.137123       17.51810 
1 1 1 -11 14  49 o 39.775  8.4767  213.848    79.307   204.487    86.587   262.602    197.603  38.509  9.3584  41.726  15.135  -3.216969      17.79422 
1 1 1 -11 14  50 o 48.784  6.0680  305.738    70.275   304.834    87.731   307.357    117.395  47.872  7.8231  46.456  10.643  1.415985       13.20892 
1 1 1 -11 15  1  o 172.132 4.4661  3599.09    186.532  3768.78    261.954  3424.54    265.677  176.046 6.1324  167.788 6.5257  8.258469       8.955001 
1 1 1 -11 15  2  o 228.497 5.2076  6345.29    288.723  6514.23    406.439  6173.19    410.220  231.330 7.2410  225.165 7.5085  6.165253       10.43117 
1 1 1 -11 15  3  o 93.104  3.6678  1052.61    82.858   1084.56    115.976  1019.30    118.421  94.330  5.0858  91.416  5.3623  2.914665       7.390493 
1 1 1 -11 15  4  o 279.122 6.1019  9477.14    413.262  9531.75    582.743  9421.88    586.153  279.560 8.5909  277.927 8.6919  1.633148       12.22101 
1 1 1 -11 15  5  o 155.639 4.2137  2942.78    159.128  3006.25    223.413  2877.42    226.706  157.210 5.8568  153.789 6.0754  3.420715       8.438765 
1 1 1 -11 15  6  o 183.951 4.6144  4112.34    205.958  4192.72    290.083  4030.62    292.470  185.589 6.4418  181.948 6.6247  3.640503       9.240337 
1 1 1 -11 15  7  o 348.101 10.413  14838.89   879.515  14992.18   1219.92  14672.96   1269.19  348.407 14.430  344.349 15.190  4.058380       20.95184 
1 1 1 -11 15  8  o 137.467 5.6630  2299.38    188.890  2031.28    247.617  2672.52    292.128  128.777 7.9637  147.743 8.1809  -18.96594      11.41694 
1 1 1 -11 15  9  o 208.709 7.1855  5311.21    363.882  5547.54    492.337  5026.68    540.201  212.899 9.5307  202.061 11.060  10.83783       14.60002 
1 1 1 -11 15  10 o 124.029 5.6390  1872.28    169.703  1946.62    221.451  1766.52    264.146  126.128 7.2668  119.821 9.1547  6.306808       11.68826 
1 1 1 -11 15  11 o 56.853  5.7440  397.442    78.151   437.123    95.817   318.587    135.073  59.509  6.7556  49.939  11.398  9.570042       13.24996 
1 1 1 -11 15  12 o 368.529 7.6794  16575.89   686.695  16631.03   970.529  16520.61   971.739  368.041 10.868  366.797 10.918  1.244080       15.40534 
1 1 1 -11 15  13 o 83.036  3.8207  837.725    76.979   882.374    107.773  791.219    109.992  85.003  5.2510  80.429  5.6726  4.574562       7.729872 
1 1 1 -11 15  14 o 155.936 4.3137  2955.54    163.216  3025.20    230.242  2885.17    231.407  157.623 6.0200  153.916 6.1963  3.707764       8.639130 
1 1 1 -11 15  15 o 228.144 5.3327  6332.75    295.204  6341.38    417.231  6324.11    417.733  227.973 7.5427  227.660 7.5622  0.3139954      10.68081 
1 1 1 -11 15  16 o 160.326 4.4201  3124.67    171.951  3187.36    243.158  3061.95    243.193  161.772 6.1947  158.544 6.3217  3.227264       8.850918 
1 1 1 -11 15  17 o 146.857 4.3560  2621.66    155.219  2771.22    220.617  2475.06    218.424  150.853 6.0273  142.538 6.3155  8.314667       8.730034 
1 1 1 -11 15  18 o 87.475  6.1978  936.724    130.697  713.711    212.691  1072.02    165.665  75.224  12.060  93.447  7.3660  -18.22318      14.13178 
1 1 1 -11 15  19 o 260.565 8.3126  8299.38    525.552  8791.66    777.732  7885.67    712.969  267.093 12.001  253.083 11.610  14.01033       16.69771 
1 1 1 -11 15  20 o 260.893 8.4116  8324.82    532.480  8514.33    788.767  8166.13    721.766  262.615 12.378  257.476 11.553  5.138672       16.93213 
1 1 1 -11 15  21 o 259.716 8.4639  8254.95    533.378  8206.25    789.374  8295.87    723.539  257.583 12.630  259.411 11.495  -1.828247      17.07777 
1 1 1 -11 15  22 o 316.022 6.7623  12189.34   518.534  11517.39   733.005  12862.45   733.632  306.152 9.8675  323.750 9.3391  -17.59760      13.58622 
1 1 1 -11 15  23 f 254.198 5.7891  7877.60    357.065  7474.01    503.816  8284.91    506.125  246.936 8.4086  260.107 8.0194  -13.17093      11.61962 
1 1 1 -11 15  24 o 145.604 4.4753  2580.54    158.112  2428.65    220.293  2741.92    227.069  141.007 6.4387  149.855 6.2448  -8.848602      8.969667 
1 1 1 -11 15  25 o 131.743 4.3849  2113.40    140.169  1984.97    195.674  2248.76    200.887  127.425 6.3287  135.664 6.1027  -8.239059      8.791787 
1 1 1 -11 15  26 o 136.491 4.3565  2269.71    144.279  2289.12    203.822  2250.21    204.262  136.790 6.1409  135.610 6.2077  1.179855       8.731942 
1 1 1 -11 15  27 o 62.521  4.7836  479.774    72.018   543.668    107.443  427.646    97.047   66.216  6.7831  58.609  6.9603  7.606510       9.718796 
1 1 1 -11 15  28 o 43.396  5.5096  234.135    56.707   183.777    76.582   295.263    84.376   37.786  8.5521  48.406  7.4204  -10.61985      11.32263 
1 1 1 -11 15  29 o 9.5123  4.6948  -86.2968   39.179   -81.0005   49.607   -95.0773   63.873   11.722  5.6744  13.617  6.5537  -1.895264      8.668890 
1 1 1 -11 15  30 o 15.643  6.6747  -0.0813    44.723   3.9266     57.898   -6.0108    70.422   18.061  7.6462  19.137  8.2733  -1.076553      11.26550 
1 1 1 -11 15  31 o 142.868 4.4831  2497.53    155.410  2537.55    219.424  2457.25    220.144  143.412 6.3057  141.078 6.4311  2.334717       9.006716 
1 1 1 -11 15  32 o 210.543 7.4750  5517.60    381.870  5400.65    503.738  5675.61    585.539  206.185 10.069  209.621 11.557  -3.436554      15.32786 
1 1 1 -11 15  33 o 157.905 6.4356  3087.18    246.576  3001.93    317.495  3216.75    391.418  154.342 8.5108  158.487 10.233  -4.145432      13.30980 
1 1 1 -11 15  34 o 199.725 7.3268  4974.37    355.068  4970.14    465.576  4980.25    548.944  197.624 9.7093  195.595 11.619  2.029114       15.14153 
1 1 1 -11 15  35 o 74.186  4.9666  679.540    88.885   618.079    110.845  790.243    148.764  70.269  6.5777  79.040  7.8612  -8.771057      10.25006 
1 1 1 -11 15  36 o 57.982  5.0320  416.793    70.092   395.921    105.003  433.568    94.134   55.599  8.0150  58.663  6.7354  -3.064285      10.46929 
1 1 1 -11 15  37 o 58.259  7.6880  433.382    106.023  433.382    106.023  0.0000     0.0000   58.259  7.6880  ?       ?       0.000000       7.687973 
1 1 1 -11 15  38 o 53.900  15.696  425.408    217.750  425.408    217.750  0.0000     0.0000   53.900  15.696  ?       ?       0.000000       15.69568 
1 1 1 -11 15  39 o 25.563  8.6375  79.674     63.638   -70.6111   184.636  99.934     67.792   27.457  12.521  27.959  8.8866  -0.5022182     15.35380 
1 1 1 -11 15  40 o 21.497  8.2950  42.144     61.282   4.4856     188.582  46.591     64.799   30.185  13.284  22.256  8.5449  7.929560       15.79508 
1 1 1 -11 15  41 o 26.473  7.7916  91.536     53.406   113.854    85.342   77.170     68.470   29.790  10.003  25.437  8.9452  4.352694       13.41921 
1 1 1 -11 15  42 o 17.498  7.1313  17.802     47.710   76.061     78.601   -16.1851   60.035   25.883  9.5211  16.663  7.4059  9.220631       12.06230 
1 1 1 -11 15  43 o 108.887 4.7585  1471.81    125.722  1508.91    177.825  1434.72    177.771  108.816 6.7685  105.959 6.9531  2.857384       9.703494 
1 1 1 -11 15  44 o 17.241  7.6457  -14.6081   63.637   0.0000     0.0000   -14.6081   63.637   ?       ?       17.241  7.6457  0.000000       7.645696 
1 1 1 -11 15  45 o 41.410  11.741  246.436    123.393  0.0000     0.0000   246.436    123.393  ?       ?       41.410  11.741  0.000000       11.74102 
1 1 1 -11 15  46 o 23.199  8.7858  55.869     67.916   14.033     84.898   130.230    113.186  21.656  9.2173  31.878  11.470  -10.22110      14.71445 
1 1 1 -11 15  47 o 22.204  9.0471  34.378     76.765   -6.4203    86.622   183.655    165.693  20.610  9.0382  36.918  13.777  -16.30753      16.47729 
1 1 1 -11 15  48 o 24.493  8.9222  69.618     68.782   34.226     75.026   256.077    172.207  21.969  8.9469  41.319  14.205  -19.34992      16.78812 
1 1 1 -11 15  49 o 25.817  8.4829  86.624     61.460   59.451     76.104   137.577    104.212  23.991  9.2476  31.873  11.045  -7.881533      14.40547 
1 1 1 -11 16  1  o 153.019 4.2712  2844.51    158.583  2887.86    222.487  2799.75    226.096  154.083 5.9510  151.701 6.1424  2.381790       8.552372 
1 1 1 -11 16  2  o 119.174 3.8747  1725.03    112.043  1660.79    156.829  1792.01    160.127  116.864 5.5307  121.398 5.4361  -4.533905      7.755026 
1 1 1 -11 16  3  o 109.555 3.7691  1457.78    100.192  1393.09    140.359  1524.99    143.067  106.895 5.4294  111.992 5.2649  -5.097008      7.562881 
1 1 1 -11 16  4  o 106.183 3.7717  1369.51    97.174   1447.92    136.540  1289.04    138.328  109.124 5.1568  102.794 5.5667  6.329475       7.588192 
1 1 1 -11 16  5  o 233.630 5.4085  6639.22    306.601  6777.33    432.104  6499.19    435.111  235.758 7.5537  230.836 7.7684  4.922073       10.83541 
1 1 1 -11 16  6  o 151.808 6.0374  2805.42    222.388  2920.43    294.335  2652.43    339.482  154.507 7.8772  146.929 9.5747  7.577362       12.39861 
1 1 1 -11 16  7  o 131.546 5.6620  2105.96    180.721  2015.03    237.047  2232.18    279.268  128.284 7.6503  134.890 8.5771  -6.606018      11.49316 
1 1 1 -11 16  8  o 139.516 5.9759  2370.05    202.299  2801.13    266.307  1781.88    311.070  151.546 7.2423  120.014 10.798  31.53203       13.00173 
1 1 1 -11 16  9  o 126.194 5.6075  1938.33    171.701  1902.89    224.898  1987.87    265.852  124.658 7.4698  127.221 8.6639  -2.563210      11.43944 
1 1 1 -11 16  10 o 46.766  4.8234  268.792    53.947   310.375    86.905   242.723    68.810   49.905  7.4012  44.145  6.6288  5.760307       9.935721 
1 1 1 -11 16  11 o 89.309  3.7574  969.073    81.422   914.057    114.422  1025.51    115.889  86.494  5.4804  91.662  5.2323  -5.168030      7.577027 
1 1 1 -11 16  12 o 139.578 4.1344  2367.72    140.020  2323.35    197.535  2412.53    198.507  138.140 5.8933  140.773 5.8116  -2.632996      8.276804 
1 1 1 -11 16  13 o 106.863 3.8011  1387.50    98.560   1366.71    138.962  1408.54    139.811  105.841 5.4293  107.592 5.3555  -1.751472      7.626147 
1 1 1 -11 16  14 o 324.697 6.9491  12854.07   547.484  13101.84   774.230  12606.26   774.288  327.028 9.7571  320.721 9.9497  6.306488       13.93550 
1 1 1 -11 16  15 o 338.159 7.1177  13946.26   584.019  13868.64   825.946  14023.88   825.910  336.318 10.121  338.215 10.064  -1.897186      14.27333 
1 1 1 -11 16  16 o 170.031 4.5560  3515.14    187.962  3628.10    266.137  3402.72    265.502  172.562 6.3562  167.094 6.5485  5.467743       9.125990 
1 1 1 -11 16  17 o 142.098 6.2725  2460.14    216.268  2191.25    339.955  2642.95    280.302  133.175 10.608  146.893 7.8933  -13.71750      13.22281 
1 1 1 -11 16  18 o 89.580  6.1105  982.127    132.025  929.381    223.818  1010.27    163.500  86.287  10.936  90.664  7.4996  -4.376122      13.26009 
1 1 1 -11 16  19 o 137.664 6.1586  2309.47    205.717  2370.64    330.223  2270.67    262.980  138.654 9.8801  136.066 8.0007  2.587982       12.71329 
1 1 1 -11 16  20 f 144.363 6.1647  2540.40    215.940  2956.49    344.950  2272.27    276.910  155.021 9.2121  135.997 8.4332  19.02347       12.48923 
1 1 1 -11 16  21 o 69.788  4.2808  594.545    72.137   542.892    99.257   652.372    105.022  66.433  6.2304  72.911  5.9893  -6.478096      8.642333 
1 1 1 -11 16  22 o 58.838  4.8083  424.237    68.046   452.581    87.976   382.031    107.355  60.614  6.0630  55.246  8.2624  5.368343       10.24827 
1 1 1 -11 16  23 o 118.305 4.2471  1703.15    121.915  1652.26    168.161  1759.54    177.007  116.200 5.9846  119.902 6.1043  -3.701935      8.548574 
1 1 1 -11 16  24 o 32.778  6.8998  136.424    53.139   166.939    65.848   79.444     89.981   36.212  7.7296  27.965  10.202  8.246294       12.79969 
1 1 1 -11 16  25 o 160.789 4.6157  3151.60    180.076  3015.67    251.968  3293.51    257.453  156.887 6.6190  163.990 6.4702  -7.103561      9.256055 
1 1 1 -11 16  26 o 104.127 4.5909  1322.67    115.991  1217.83    179.117  1398.39    152.217  99.192  7.4974  106.717 5.9014  -7.524307      9.541407 
1 1 1 -11 16  27 o 128.439 4.2863  2012.48    133.580  1895.43    188.280  2131.10    189.548  124.105 6.2728  131.839 5.9253  -7.734322      8.628901 
1 1 1 -11 16  28 o 104.256 4.1753  1326.60    105.621  1317.92    148.374  1335.52    150.388  103.436 5.9367  104.115 5.9781  -0.6792450     8.425091 
1 1 1 -11 16  29 o 17.985  7.0234  24.713     44.342   22.265     59.006   27.888     67.208   19.725  7.9701  21.223  8.5303  -1.498077      11.67425 
1 1 1 -11 16  30 o 195.047 5.1136  4667.42    242.006  4711.46    342.796  4623.66    341.703  194.872 7.2498  193.020 7.2960  1.851608       10.28542 
1 1 1 -11 16  31 o 154.824 6.5018  2965.84    244.251  3079.09    314.141  2792.72    388.405  156.600 8.2970  147.295 10.946  9.305237       13.73504 
1 1 1 -11 16  32 o 26.634  8.2267  89.198     58.521   116.316    66.336   -5.9715    124.271  30.032  8.6396  25.204  10.943  4.827095       13.94254 
1 1 1 -11 16  33 o 78.155  5.7952  758.044    109.114  761.983    131.057  749.144    196.988  77.961  7.0028  75.539  11.077  2.422798       13.10454 
1 1 1 -11 16  34 o 19.610  7.2695  38.076     45.980   14.959     60.095   70.716     71.409   19.153  7.9257  25.338  9.1110  -6.185400      12.07588 
1 1 1 -11 16  35 o 44.137  5.6831  244.509    59.449   127.786    91.207   330.726    78.388   31.760  10.329  51.221  6.4503  -19.46077      12.17758 
1 1 1 -11 16  36 o 118.661 6.5576  1759.17    188.076  1759.17    188.076  0.0000     0.0000   118.661 6.5576  ?       ?       0.000000       6.557647 
1 1 1 -11 16  37 o 23.172  9.5371  29.180     86.386   29.180     86.386   0.0000     0.0000   23.172  9.5371  ?       ?       0.000000       9.537050 
1 1 1 -11 16  38 o 41.185  8.3451  223.320    80.536   379.324    203.343  194.296    87.709   50.791  15.265  38.031  9.5253  12.76002       17.99350 
1 1 1 -11 16  39 o 41.213  8.5384  225.313    82.576   537.310    209.803  168.121    89.826   60.543  14.477  35.255  10.025  25.28863       17.60962 
1 1 1 -11 16  40 o 34.229  7.2221  153.784    58.096   247.179    90.026   87.134     76.051   42.953  8.9293  26.840  9.4280  16.11296       12.98538 
1 1 1 -11 16  41 o 12.037  5.6860  -47.2182   43.613   -59.9258   76.494   -41.0979   53.086   16.700  7.7724  14.073  6.5242  2.627007       10.14767 
1 1 1 -11 16  42 o 68.517  4.9962  587.108    82.490   654.120    118.690  524.493    114.729  71.384  6.9403  63.513  7.5953  7.870411       10.28863 
1 1 1 -11 16  43 o 22.520  7.8932  60.295     53.292   139.115    82.095   2.8895     70.060   31.960  9.7208  19.216  8.2796  12.74413       12.76895 
1 1 1 -11 16  44 o 29.913  11.437  102.747    115.771  0.0000     0.0000   102.747    115.771  ?       ?       29.913  11.437  0.000000       11.43661 
1 1 1 -11 16  45 o 49.274  6.9499  314.764    80.784   264.141    103.680  392.989    128.881  43.651  10.003  53.292  10.340  -9.640846      14.38683 
1 1 1 -11 16  46 o 59.624  6.1153  452.698    87.218   317.300    112.639  655.429    137.830  47.927  10.009  70.626  8.1953  -22.69843      12.93605 
1 1 1 -11 16  47 o 40.372  9.5001  225.167    91.511   214.555    98.444   292.648    248.248  39.085  10.253  43.487  16.718  -4.402103      19.61177 
1 1 1 -11 16  48 o 40.789  7.3861  220.551    70.410   170.548    88.591   306.299    116.013  34.867  9.9703  46.475  10.531  -11.60863      14.50233 
1 1 1 -11 17  1  o 233.063 5.4092  6606.62    305.892  6864.65    430.346  6343.13    434.882  237.299 7.4741  228.049 7.8592  9.249878       10.84571 
1 1 1 -11 17  2  o 131.312 3.9418  2094.82    125.594  2090.97    176.417  2098.79    178.840  131.102 5.5458  131.343 5.6117  -0.2406769     7.889690 
1 1 1 -11 17  3  o 293.314 6.4236  10477.55   457.165  10857.29   644.577  10093.17   648.498  298.056 8.9128  287.282 9.3033  10.77393       12.88366 
1 1 1 -11 17  4  o 214.079 7.2236  5588.17    375.224  5595.10    508.852  5579.91    555.507  213.759 9.8108  213.002 10.784  0.7577362      14.57858 
1 1 1 -11 17  5  f 338.119 10.143  14013.13   832.130  13977.07   1152.94  14052.34   1202.22  336.068 14.139  336.696 14.716  -0.6279907     20.40742 
1 1 1 -11 17  6  o 98.829  5.4372  1192.15    129.882  1412.04    166.779  853.253    207.047  107.465 6.4255  82.742  10.553  24.72240       12.35536 
1 1 1 -11 17  7  o 41.697  6.8053  217.399    66.478   263.349    81.207   124.047    115.747  45.859  7.5616  33.487  11.639  12.37228       13.87925 
1 1 1 -11 17  8  o 175.455 6.3777  3750.99    271.518  3535.32    362.240  4027.51    410.181  169.779 8.8236  181.121 9.3655  -11.34225      12.86736 
1 1 1 -11 17  9  o 46.861  4.3234  269.200    48.604   278.139    68.774   260.281    68.700   47.399  6.1230  45.789  6.3548  1.609127       8.824652 
1 1 1 -11 17  10 o 139.437 4.1245  2363.01    139.546  2367.05    196.363  2358.89    198.348  139.435 5.8039  139.189 5.8730  0.2463837      8.256997 
1 1 1 -11 17  11 o 175.294 4.5663  3736.04    194.223  3760.99    273.599  3710.71    275.758  175.693 6.4180  174.503 6.5127  1.189484       9.143606 
1 1 1 -11 17  12 o 42.746  4.5775  224.691    46.739   228.072    65.894   221.268    66.305   42.775  6.5580  42.092  6.7180  0.6831093      9.388245 
1 1 1 -11 17  13 o 140.458 4.2643  2398.04    145.330  2358.35    206.927  2436.67    204.156  139.149 6.1288  141.457 5.9480  -2.307739      8.540535 
1 1 1 -11 17  14 o 362.466 7.6977  16039.87   677.005  15926.92   957.308  16152.87   957.552  360.030 10.958  362.606 10.883  -2.576141      15.44460 
1 1 1 -11 17  15 o 148.944 4.2566  2696.70    153.834  2644.15    216.584  2750.20    218.536  147.337 6.0583  150.269 5.9936  -2.931824      8.522123 
1 1 1 -11 17  16 o 244.261 8.0488  7290.70    477.032  7319.88    705.973  7266.18    647.114  243.702 11.939  243.103 10.971  0.5993500      16.21387 
1 1 1 -11 17  17 o 208.186 7.3816  5291.28    372.877  5008.97    561.188  5514.44    498.939  201.336 11.535  212.050 9.6972  -10.71407      15.06992 
1 1 1 -11 17  18 o 206.878 7.3975  5226.71    371.332  4935.58    560.286  5454.75    495.879  199.754 11.610  210.846 9.6927  -11.09198      15.12412 
1 1 1 -11 17  19 o 201.070 7.1592  4937.27    349.285  5264.60    533.904  4692.35    461.826  206.535 10.690  195.476 9.7369  11.05817       14.46004 
1 1 1 -11 17  20 o 88.445  4.1163  951.260    88.336   928.031    125.783  973.867    124.086  87.041  5.9923  89.205  5.7636  -2.164925      8.314238 
1 1 1 -11 17  21 o 112.718 4.1773  1545.54    114.249  1515.38    162.199  1575.25    160.952  111.292 6.0290  113.500 5.8644  -2.208511      8.410693 
1 1 1 -11 17  22 o 77.304  4.3060  729.552    80.447   710.896    111.099  750.116    116.643  76.069  6.0697  78.131  6.2038  -2.062164      8.679203 
1 1 1 -11 17  23 o 192.008 4.9685  4494.74    231.476  4424.13    326.246  4566.31    328.477  190.015 7.0761  193.062 7.0121  -3.046402      9.961927 
1 1 1 -11 17  24 o 96.600  4.2343  1136.79    99.247   1055.39    136.071  1229.30    145.074  92.680  6.0847  100.070 6.0025  -7.390701      8.547091 
1 1 1 -11 17  25 o 62.752  5.1123  484.196    77.165   458.610    109.730  509.227    108.535  60.557  7.6377  63.978  7.1119  -3.421024      10.43616 
1 1 1 -11 17  26 o 201.189 5.1805  4951.23    252.893  4813.48    356.829  5090.25    358.468  197.512 7.4457  203.190 7.2708  -5.677994      10.40687 
1 1 1 -11 17  27 o 147.553 4.5444  2660.49    162.700  2671.28    229.990  2649.67    230.196  147.322 6.4339  146.714 6.4664  0.6076965      9.121951 
1 1 1 -11 17  28 o 22.393  7.3208  59.991     45.795   98.883     58.755   -0.2073    73.098   27.908  8.1607  19.876  8.5085  8.031305       11.78945 
1 1 1 -11 17  29 o 66.806  4.5269  548.742    72.947   536.152    100.511  562.755    106.037  65.600  6.3960  67.169  6.5911  -1.569107      9.184244 
1 1 1 -11 17  30 o 54.140  5.2885  363.624    68.586   341.563    98.912   384.053    95.185   51.679  8.1589  55.128  7.2952  -3.449253      10.94471 
1 1 1 -11 17  31 o 78.317  5.8666  761.173    110.672  835.753    135.524  611.877    191.747  81.744  6.8972  67.716  12.115  14.02788       13.94058 
1 1 1 -11 17  32 o 47.969  6.8645  291.498    77.620   318.362    92.278   226.504    143.531  49.855  7.8910  41.231  12.908  8.623230       15.12917 
1 1 1 -11 17  33 o 64.374  4.6381  511.324    71.961   539.788    98.405   478.606    105.502  65.715  6.2466  61.544  7.2012  4.171043       9.532964 
1 1 1 -11 17  34 o 19.394  7.3512  34.725     47.573   -47.4932   81.533   77.165     58.578   18.190  8.3047  25.145  8.2826  -6.955217      11.72899 
1 1 1 -11 17  35 o 131.988 6.7757  2180.06    216.264  2180.06    216.264  0.0000     0.0000   131.988 6.7757  ?       ?       0.000000       6.775686 
1 1 1 -11 17  36 o 47.807  8.6611  299.188    96.768   299.188    96.768   0.0000     0.0000   47.807  8.6611  ?       ?       0.000000       8.661057 
1 1 1 -11 17  37 o 35.417  8.2627  165.909    69.706   86.960     182.184  179.449    75.448   33.454  13.818  36.760  8.6099  -3.306702      16.28092 
1 1 1 -11 17  38 o 56.497  7.1724  409.233    96.107   456.864    223.649  398.446    106.436  54.812  15.891  55.304  8.1784  -0.4919739     17.87230 
1 1 1 -11 17  39 o 47.878  5.8327  290.417    66.358   383.596    99.922   216.898    88.756   54.297  7.8091  40.029  9.3133  14.26760       12.15401 
1 1 1 -11 17  40 o 12.927  5.9950  -35.6399   44.875   -72.6899   83.374   -20.5289   53.245   17.075  8.0015  15.325  6.8813  1.749182       10.55346 
1 1 1 -11 17  41 o 48.160  5.8240  295.095    66.673   249.252    102.607  328.596    87.715   42.364  10.121  50.168  7.4305  -7.804195      12.55548 
1 1 1 -11 17  42 o 71.707  4.9441  643.211    85.498   721.539    122.160  568.003    119.702  75.000  6.7863  66.020  7.6119  8.980347       10.19780 
1 1 1 -11 17  43 o 64.642  7.3793  542.929    113.669  0.0000     0.0000   542.929    113.669  ?       ?       64.642  7.3793  0.000000       7.379285 
1 1 1 -11 17  44 o 42.667  7.8408  241.665    78.181   204.301    100.298  299.522    124.809  38.117  10.507  45.778  11.304  -7.661606      15.43244 
1 1 1 -11 17  45 o 22.837  8.7806  51.838     68.482   -28.4842   85.941   191.557    113.346  19.331  8.7055  36.785  11.464  -17.45429      14.39438 
1 1 1 -11 17  46 o 51.400  8.9080  356.592    107.072  335.033    116.275  476.844    274.609  49.110  10.095  52.252  17.940  -3.141575      20.58527 
1 1 1 -11 17  47 o 32.250  9.8739  144.052    84.514   166.494    89.493   -40.9589   256.952  34.448  10.071  31.457  14.502  2.991360       17.65616 
1 1 1 -11 18  1  o 201.882 6.9342  4968.08    339.670  4852.73    458.881  5107.89    505.181  199.111 9.4982  204.141 10.199  -5.029495      13.93674 
1 1 1 -11 18  2  o 194.126 6.8157  4593.51    321.040  4607.43    432.693  4576.46    478.845  194.048 9.1898  192.928 10.266  1.120010       13.77833 
1 1 1 -11 18  3  o 41.717  6.7913  217.553    66.378   255.370    79.881   133.186    119.312  45.145  7.5596  34.408  11.824  10.73773       14.03444 
1 1 1 -11 18  4  o 153.979 5.9864  2887.42    223.661  2679.22    295.585  3166.31    342.099  147.843 8.2730  160.654 8.8096  -12.81085      12.08521 
1 1 1 -11 18  5  o 226.554 7.5707  6265.52    416.169  6516.63    566.330  5970.74    613.615  230.490 10.126  219.979 11.536  10.51166       15.35024 
1 1 1 -11 18  6  o 69.321  5.5558  588.667    92.664   748.982    116.441  311.805    153.021  78.168  6.1898  49.342  12.705  28.82572       14.13248 
1 1 1 -11 18  7  o 303.177 6.5824  11203.45   484.220  11391.73   683.178  11013.38   686.415  305.030 9.2305  299.861 9.4341  5.169037       13.19872 
1 1 1 -11 18  8  o 289.051 6.2746  10179.01   440.069  10203.89   620.829  10153.88   623.885  288.803 8.8594  288.076 8.9255  0.7266541      12.57594 
1 1 1 -11 18  9  o 189.600 4.7952  4371.91    220.600  4562.90    310.595  4177.48    313.374  193.483 6.6159  185.083 6.9780  8.399933       9.615739 
1 1 1 -11 18  10 o 92.353  3.8031  1036.34    85.222   1103.92    119.582  966.590    121.484  95.112  5.2013  88.930  5.6594  6.182442       7.686536 
1 1 1 -11 18  11 o 234.747 5.4244  6706.50    308.972  6823.09    435.671  6588.53    438.243  236.423 7.5946  232.290 7.7754  4.133621       10.86897 
1 1 1 -11 18  12 o 124.322 4.1387  1878.57    124.845  1803.74    177.044  1952.58    176.076  121.697 5.9957  126.640 5.7302  -4.942749      8.293520 
1 1 1 -11 18  13 o 133.717 4.2617  2173.55    138.273  2131.61    196.295  2214.86    194.807  132.282 6.1157  134.855 5.9535  -2.572906      8.535013 
1 1 1 -11 18  14 o 215.048 5.2829  5628.04    275.661  5847.21    390.990  5411.43    388.707  218.875 7.3622  210.518 7.6097  8.357300       10.58817 
1 1 1 -11 18  15 o 66.773  6.8121  549.364    108.823  558.554    197.717  545.370    130.342  66.166  12.778  66.283  8.2854  -0.1167984     15.22906 
1 1 1 -11 18  16 o 192.914 7.0262  4541.60    328.890  4676.75    502.451  4440.28    435.040  194.740 10.674  190.307 9.4213  4.433655       14.23719 
1 1 1 -11 18  17 o 194.975 7.0925  4641.02    335.540  4579.23    508.974  4688.52    446.240  192.548 10.939  195.506 9.4068  -2.958679      14.42764 
1 1 1 -11 18  18 o 67.966  6.6655  569.044    108.507  442.472    203.182  619.545    128.341  58.459  14.415  70.794  7.5898  -12.33502      16.29103 
1 1 1 -11 18  19 o 156.210 4.5184  2969.12    171.259  3091.60    242.783  2847.82    241.615  159.182 6.2858  152.744 6.5192  6.437256       9.056029 
1 1 1 -11 18  20 o 53.992  4.8076  357.749    62.324   378.385    85.726   334.615    90.768   55.287  6.5156  51.777  7.4386  3.510162       9.888649 
1 1 1 -11 18  21 o 140.878 4.3787  2416.04    149.676  2596.73    213.094  2240.10    210.281  145.829 6.0223  135.388 6.4011  10.44037       8.788756 
1 1 1 -11 18  22 o 169.983 4.6585  3521.13    192.138  3569.27    272.444  3473.49    271.012  170.764 6.5753  168.444 6.6308  2.319427       9.338237 
1 1 1 -11 18  23 o 212.593 5.2600  5519.24    271.330  5476.62    383.032  5562.16    384.410  211.067 7.4791  212.720 7.4477  -1.653671      10.55488 
1 1 1 -11 18  24 o 43.437  5.9795  235.355    61.351   246.044    83.942   223.098    89.890   43.963  8.1699  41.629  9.1488  2.333511       12.26573 
1 1 1 -11 18  25 o 181.395 4.9204  4022.39    216.566  3815.66    304.869  4232.97    307.692  175.938 7.1415  185.431 6.8386  -9.493195      9.887788 
1 1 1 -11 18  26 o 129.015 4.3684  2033.16    136.750  2019.75    191.521  2047.11    195.322  128.161 6.1588  129.003 6.2401  -0.8421173     8.767527 
1 1 1 -11 18  27 o 115.835 4.3257  1640.07    121.580  1629.79    169.497  1650.97    174.492  114.893 6.1019  115.592 6.2445  -0.6991196     8.730802 
1 1 1 -11 18  28 o 23.708  7.2518  70.099     45.599   99.159     63.446   39.053     65.580   28.033  8.5500  21.952  8.5500  6.081095       12.09150 
1 1 1 -11 18  29 o 14.984  6.4984  -5.4122    43.726   -57.7791   58.612   60.310     65.662   14.303  6.7047  23.929  8.7174  -9.625435      10.99753 
1 1 1 -11 18  30 o 131.892 6.1392  2151.70    196.468  2173.44    248.583  2115.52    320.684  131.563 7.8223  128.150 10.403  3.413086       13.01579 
1 1 1 -11 18  31 o 53.967  6.5143  366.332    83.577   325.923    98.704   468.692    157.096  50.279  8.3861  59.300  11.331  -9.021626      14.09687 
1 1 1 -11 18  32 o 71.603  4.4945  631.532    77.691   638.318    106.878  623.927    113.134  71.502  6.2224  70.531  6.6908  0.9710693      9.137050 
1 1 1 -11 18  33 o 51.708  5.4867  333.716    67.787   423.566    102.927  264.890    90.083   57.678  7.5346  45.089  8.5467  12.58849       11.39364 
1 1 1 -11 18  34 o 98.923  6.5747  1224.99    156.912  1224.99    156.912  0.0000     0.0000   98.923  6.5747  ?       ?       0.000000       6.574726 
1 1 1 -11 18  35 o 45.723  9.3866  277.527    100.649  277.527    100.649  0.0000     0.0000   45.723  9.3866  ?       ?       0.000000       9.386577 
1 1 1 -11 18  36 o 72.300  6.5436  659.667    113.549  737.883    232.130  635.065    130.189  72.168  13.758  70.388  7.7512  1.779846       15.79162 
1 1 1 -11 18  37 f 27.484  8.8644  96.573     67.266   94.749     192.152  96.827     71.809   34.086  14.144  27.680  9.1730  6.406067       16.85831 
1 1 1 -11 18  38 o 17.349  7.1048  16.050     47.645   -111.5352  81.046   83.427     58.896   15.353  7.3875  25.621  8.2978  -10.26857      11.10989 
1 1 1 -11 18  39 o 37.003  6.9975  179.077    60.524   286.093    97.948   112.976    76.980   46.073  9.0845  29.332  9.4852  16.74081       13.13382 
1 1 1 -11 18  40 o 17.999  7.6843  5.2207     59.337   -131.1767  197.181  18.802     62.221   25.966  12.212  19.417  8.0523  6.548498       14.62760 
1 1 1 -11 18  41 o 106.930 4.6763  1420.78    121.329  1486.11    170.058  1353.05    173.153  107.993 6.5204  102.662 6.9928  5.331505       9.561139 
1 1 1 -11 18  42 o 79.889  6.9426  821.367    133.240  0.0000     0.0000   821.367    133.240  ?       ?       79.889  6.9426  0.000000       6.942583 
1 1 1 -11 18  43 o 63.963  9.5848  555.460    144.175  0.0000     0.0000   555.460    144.175  ?       ?       63.963  9.5848  0.000000       9.584754 
1 1 1 -11 18  44 o 14.942  6.9845  -53.7728   62.847   -15.5843   77.994   -124.4740  106.123  19.038  8.4524  17.925  8.5804  1.112949       12.04435 
1 1 1 -11 18  45 o 45.835  9.6201  289.917    103.580  277.016    112.075  365.464    271.214  44.262  10.579  46.727  17.589  -2.464577      20.52575 
1 1 1 -11 18  46 o 23.265  9.5166  40.118     85.358   35.778     90.563   74.653     255.462  23.428  9.7150  34.673  15.350  -11.24438      18.16607 
1 1 1 -11 18  47 o 48.962  6.8197  313.668    78.819   315.856    98.477   309.768    131.478  48.057  8.7683  45.612  11.793  2.444489       14.69539 
1 1 1 -11 19  1  o 224.209 7.4806  6135.78    406.962  6191.39    552.892  6070.03    601.200  224.654 10.143  221.902 11.202  2.752045       15.11175 
1 1 1 -11 19  2  o 233.588 7.6908  6662.65    435.897  6700.84    592.974  6617.76    642.957  233.616 10.461  231.897 11.427  1.718735       15.49196 
1 1 1 -11 19  3  o 131.923 5.7967  2119.29    185.552  2311.27    242.179  1846.41    288.737  137.432 7.2886  122.336 9.8096  15.09595       12.22098 
1 1 1 -11 19  4  o 119.395 5.5717  1735.39    161.412  1750.24    208.698  1713.27    254.638  119.550 7.2286  117.980 8.9621  1.569984       11.51393 
1 1 1 -11 19  5  o 257.766 5.7391  8090.13    358.952  7877.49    505.733  8305.99    509.558  253.878 8.2098  260.727 8.0546  -6.849289      11.50120 
1 1 1 -11 19  6  o 269.693 6.0639  8859.56    396.813  9090.83    559.464  8625.44    562.908  272.676 8.4559  265.535 8.7368  7.140594       12.15872 
1 1 1 -11 19  7  o 239.171 5.5406  6963.05    321.538  7051.48    453.195  6873.41    456.268  240.298 7.7727  237.214 7.9271  3.084595       11.10196 
1 1 1 -11 19  8  o 331.682 6.9885  13417.75   562.436  13340.91   793.680  13495.27   797.140  329.849 9.9167  331.757 9.9026  -1.907684      14.01436 
1 1 1 -11 19  9  o 104.018 3.8690  1314.81    97.651   1251.92    137.700  1378.42    138.501  101.254 5.6270  106.288 5.3880  -5.034821      7.790586 
1 1 1 -11 19  10 o 232.659 5.5056  6588.94    310.807  6744.94    438.307  6431.16    440.800  235.028 7.6859  229.451 7.9175  5.577072       11.03448 
1 1 1 -11 19  11 o 94.530  4.0167  1086.05    92.129   949.850    129.512  1225.57    131.084  88.094  6.0965  100.201 5.4116  -12.10712      8.151852 
1 1 1 -11 19  12 o 115.443 4.0533  1619.85    113.539  1632.63    161.674  1607.41    159.485  115.789 5.7545  114.894 5.7208  0.8955841      8.114341 
1 1 1 -11 19  13 o 106.837 6.0137  1394.89    155.258  1503.00    263.869  1337.64    192.015  110.239 9.9728  104.379 7.6345  5.859596       12.55955 
1 1 1 -11 19  14 o 39.981  8.8438  203.303    83.519   196.055    169.331  205.633    96.010   41.277  14.089  40.151  9.9141  1.126297       17.22755 
1 1 1 -11 19  15 o 75.223  6.3551  694.761    114.910  729.742    209.464  679.702    137.437  76.074  11.724  74.181  7.7501  1.892746       14.05439 
1 1 1 -11 19  16 f 194.459 7.1047  4617.69    335.225  4593.16    510.972  4636.24    444.175  192.778 10.969  194.370 9.4180  -1.592209      14.45762 
1 1 1 -11 19  17 o 356.351 7.5165  15526.50   649.916  15382.72   918.976  15670.37   919.263  353.282 10.721  356.620 10.624  -3.338104      15.09274 
1 1 1 -11 19  18 o 131.042 4.2969  2089.07    136.624  2140.11    193.566  2038.40    192.868  132.456 6.0227  129.256 6.1496  3.200714       8.607594 
1 1 1 -11 19  19 o 86.126  4.1043  902.419    85.771   960.669    121.744  845.014    120.857  88.568  5.6953  82.991  6.0433  5.577118       8.304043 
1 1 1 -11 19  20 o 133.374 4.3472  2165.72    140.685  2207.24    199.790  2124.89    198.137  134.414 6.1258  131.873 6.1922  2.541138       8.710297 
1 1 1 -11 19  21 o 82.497  4.2433  831.039    84.652   818.348    119.088  844.000    120.353  81.590  6.0587  82.871  6.0266  -1.281136      8.545663 
1 1 1 -11 19  22 o 22.778  7.2758  62.452     45.400   77.470     62.802   46.012     65.707   25.724  8.5810  22.761  8.6365  2.962969       12.17468 
1 1 1 -11 19  23 o 123.583 4.7186  1864.59    141.493  1867.43    225.066  1862.73    181.944  122.844 7.5879  123.265 6.0832  -0.4209595     9.725328 
1 1 1 -11 19  24 o 144.081 4.9685  2538.71    173.699  2423.15    275.322  2615.11    223.877  139.602 8.1636  145.874 6.3251  -6.272141      10.32718 
1 1 1 -11 19  25 o 177.505 4.8046  3855.00    206.936  3748.58    291.548  3963.04    293.767  174.263 6.8951  179.241 6.7546  -4.977798      9.652342 
1 1 1 -11 19  26 o 42.676  5.7441  227.798    57.969   193.271    78.641   268.883    85.784   38.608  8.6136  45.862  7.9998  -7.254242      11.75542 
1 1 1 -11 19  27 o 88.962  4.2905  968.194    92.613   947.066    127.287  991.962    135.002  87.433  6.0368  89.422  6.2615  -1.988380      8.697721 
1 1 1 -11 19  28 o 16.029  7.0381  -11.6452   52.668   2.1434     60.191   -56.6947   108.796  18.198  7.7537  21.240  9.6569  -3.042126      12.38449 
1 1 1 -11 19  29 o 70.770  5.9181  622.942    100.691  708.073    120.969  430.916    181.681  75.231  6.6969  55.935  13.533  19.29626       15.09948 
1 1 1 -11 19  30 o 69.934  6.0871  609.835    102.261  682.769    122.966  446.283    184.140  73.733  6.9554  56.813  13.548  16.92003       15.22938 
1 1 1 -11 19  31 o 87.673  4.3630  942.810    92.814   951.041    130.431  934.367    132.102  87.369  6.1927  86.544  6.3348  0.8252945      8.858913 
1 1 1 -11 19  32 o 28.975  8.0245  109.142    58.350   68.015     84.726   146.247    80.476   26.049  9.8257  33.342  9.4918  -7.292297      13.66154 
1 1 1 -11 19  33 o 76.686  7.0366  742.005    129.471  742.005    129.471  0.0000     0.0000   76.686  7.0366  ?       ?       0.000000       7.036612 
1 1 1 -11 19  34 o 84.630  6.9422  903.826    141.300  903.826    141.300  0.0000     0.0000   84.630  6.9422  ?       ?       0.000000       6.942203 
1 1 1 -11 19  35 o 59.069  6.8884  444.038    96.874   274.242    236.155  478.391    106.223  44.544  16.482  61.168  7.3013  -16.62333      18.02713 
1 1 1 -11 19  36 o 54.659  7.3672  384.850    95.218   533.652    224.233  352.116    105.171  59.520  15.407  51.670  8.6976  7.849781       17.69220 
1 1 1 -11 19  37 o 37.144  6.9682  179.828    60.494   206.572    96.547   162.542    77.621   38.753  10.148  34.667  9.1091  4.085545       13.63642 
1 1 1 -11 19  38 o 29.639  8.1294  117.359    60.221   194.109    97.942   70.706     76.360   37.381  10.412  25.222  9.3646  12.15981       14.00379 
1 1 1 -11 19  39 f 34.756  8.5713  163.824    71.829   105.014    226.279  170.414    75.747   35.187  15.014  35.364  8.8490  -0.1771278     17.42758 
1 1 1 -11 19  40 o 73.089  4.9515  668.771    87.293   640.756    125.379  695.127    121.609  70.175  7.4786  73.476  6.9020  -3.301414      10.17681 
1 1 1 -11 19  41 f 33.859  9.5302  158.551    81.607   0.0000     0.0000   158.551    81.607   ?       ?       33.859  9.5302  0.000000       9.530197 
1 1 1 -11 19  42 o 69.325  8.8620  642.806    145.656  0.0000     0.0000   642.806    145.656  ?       ?       69.325  8.8620  0.000000       8.861960 
1 1 1 -11 19  43 o 28.272  8.9452  106.287    68.749   117.678    84.635   84.191     117.875  29.787  9.9616  28.680  11.374  1.106350       15.11930 
1 1 1 -11 19  44 o 43.559  9.8669  264.347    101.867  308.906    109.971  -5.0009    270.377  47.142  9.9278  33.224  15.151  13.91744       18.11395 
1 1 1 -11 19  45 o 86.352  7.1389  966.731    148.235  855.623    165.949  1405.43    329.747  79.997  8.6891  95.344  14.728  -15.34717      17.10028 
1 1 1 -11 19  46 o 57.269  6.4119  424.193    87.569   354.853    112.413  531.214    139.657  50.509  9.5216  61.976  9.5972  -11.46713      13.51912 
1 1 1 -11 20  1  o 133.807 5.8023  2180.43    188.384  2235.47    246.250  2102.76    292.514  135.102 7.5420  130.696 9.2844  4.405899       11.96172 
1 1 1 -11 20  2  o 173.800 6.3886  3681.48    269.414  3512.05    358.565  3901.15    408.276  169.191 8.7643  178.177 9.4777  -8.985306      12.90890 
1 1 1 -11 20  3  o 261.761 5.8763  8344.87    373.225  8422.52    525.564  8265.87    530.105  262.485 8.2520  259.996 8.4029  2.488708       11.77727 
1 1 1 -11 20  4  o 152.072 4.2555  2811.29    157.021  3012.19    220.605  2605.00    223.546  157.278 5.7808  146.210 6.3012  11.06749       8.551183 
1 1 1 -11 20  5  f 254.232 5.7698  7870.43    355.920  7884.35    501.469  7856.31    505.245  253.994 8.1368  253.525 8.2133  0.4696198      11.56143 
1 1 1 -11 20  6  o 23.412  6.4782  68.804     38.046   99.165     51.933   33.632     55.897   28.021  7.4930  20.557  7.9249  7.464420       10.90642 
1 1 1 -11 20  7  o 97.020  3.8320  1143.84    90.209   1155.90    127.279  1131.66    127.873  97.302  5.4124  96.264  5.4974  1.038261       7.714653 
1 1 1 -11 20  8  o 286.816 6.3076  10024.69   438.969  9927.36    619.170  10123.06   622.435  284.779 8.9606  287.584 8.9200  -2.804810      12.64356 
1 1 1 -11 20  9  o 72.423  4.0155  639.449    70.287   629.315    97.248   650.532    101.703  71.674  5.6373  72.860  5.8009  -1.185249      8.088853 
1 1 1 -11 20  10 o 186.571 4.8090  4234.19    217.704  4239.88    306.841  4228.42    308.929  186.453 6.7824  186.192 6.8381  0.2602081      9.631160 
1 1 1 -11 20  11 o ?       ?       -141.0204  26.289   -83.0219   31.246   -281.5682  48.640   7.9787  3.9805  ?       ?       0.000000       3.980469 
1 1 1 -11 20  12 o 183.480 6.7913  4106.79    302.347  4016.01    455.865  4178.08    403.986  180.474 10.455  184.680 9.0153  -4.206268      13.80514 
1 1 1 -11 20  13 o 207.778 7.2646  5271.69    366.249  5516.31    552.732  5080.23    489.011  211.451 10.809  203.405 9.9082  8.046661       14.66326 
1 1 1 -11 20  14 o 146.542 6.3185  2618.68    224.667  2700.09    358.802  2566.17    288.146  147.896 10.058  144.577 8.2481  3.319458       13.00765 
1 1 1 -11 20  15 o 223.206 7.5946  6091.54    411.313  6458.24    618.584  5800.93    550.688  228.806 11.142  217.064 10.456  11.74167       15.27966 
1 1 1 -11 20  16 f 90.495  4.2104  996.094    92.452   1017.03    128.701  973.773    132.892  91.148  5.8502  89.134  6.1828  2.014656       8.511870 
1 1 1 -11 20  17 o 124.842 4.2976  1896.34    130.183  1857.02    183.267  1936.38    184.958  123.358 6.1229  125.975 6.0510  -2.616837      8.608346 
1 1 1 -11 20  18 o 52.932  4.8739  344.171    61.894   291.012    85.040   404.053    90.257   48.184  7.5192  57.117  6.6363  -8.932663      10.02890 
1 1 1 -11 20  19 o 90.384  4.1827  994.493    91.729   1089.30    129.329  898.513    130.124  94.291  5.6793  85.497  6.3173  8.793747       8.494852 
1 1 1 -11 20  20 o 55.735  4.7311  381.447    63.376   375.917    91.220   386.607    88.116   54.934  7.0029  55.793  6.6393  -0.8589630     9.649884 
1 1 1 -11 20  21 f 61.965  4.4883  470.653    67.025   417.296    93.452   527.174    96.182   57.926  6.7770  65.323  6.1404  -7.396324      9.145015 
1 1 1 -11 20  22 o 79.065  4.6022  765.679    87.908   761.516    135.369  768.715    115.601  78.313  7.2047  78.944  6.0818  -0.6306000     9.428486 
1 1 1 -11 20  23 o 196.237 5.7214  4723.31    272.426  4584.70    449.466  4803.80    342.511  191.161 9.7223  197.298 7.1546  -6.137299      12.07111 
1 1 1 -11 20  24 o 193.956 5.0255  4607.73    236.508  4454.39    332.901  4764.01    336.066  189.739 7.2309  196.314 7.0552  -6.575363      10.10258 
1 1 1 -11 20  25 o 68.393  4.5912  575.059    75.748   582.665    102.767  566.011    112.088  68.465  6.2552  67.278  6.9673  1.187401       9.363284 
1 1 1 -11 20  26 o 30.989  7.1424  123.870    52.603   64.040     70.460   199.206    79.066   24.707  9.0258  39.143  8.5629  -14.43551      12.44141 
1 1 1 -11 20  27 o 85.616  6.0969  910.379    125.830  872.718    146.770  1014.85    244.442  83.390  7.3280  87.814  11.768  -4.423965      13.86332 
1 1 1 -11 20  28 o 81.369  5.9836  822.998    117.309  889.286    137.806  648.551    223.555  84.314  6.7937  68.657  13.896  15.65721       15.46817 
1 1 1 -11 20  29 o 87.825  5.9063  958.366    125.130  1038.38    153.102  797.383    217.160  91.014  6.9861  77.301  11.964  13.71318       13.85476 
1 1 1 -11 20  30 o 110.152 4.3495  1488.53    116.250  1410.06    165.780  1564.45    163.058  106.323 6.4566  112.213 6.0106  -5.890015      8.821286 
1 1 1 -11 20  31 o 15.420  6.8128  -13.4137   50.070   -40.0940   70.286   14.077     71.346   16.966  7.7323  20.473  8.5672  -3.506674      11.54058 
1 1 1 -11 20  32 o 33.798  7.1451  148.289    56.764   133.966    83.660   160.509    77.272   32.038  9.8264  34.795  9.0625  -2.757282      13.36737 
1 1 1 -11 20  33 o 33.312  9.7242  147.296    83.489   147.296    83.489   0.0000     0.0000   33.312  9.7242  ?       ?       0.000000       9.724161 
1 1 1 -11 20  34 o 56.020  7.2216  401.972    95.875   267.939    231.217  429.802    105.359  44.065  16.308  57.748  7.7118  -13.68333      18.03978 
1 1 1 -11 20  35 o 69.860  6.8969  621.494    115.382  746.181    256.993  590.015    129.128  70.633  15.427  67.488  8.0440  3.145210       17.39828 
1 1 1 -11 20  36 o 50.631  5.9285  325.127    71.454   510.220    108.975  185.535    94.637   62.957  7.2672  36.723  10.237  26.23479       12.55429 
1 1 1 -11 20  37 o 39.152  6.5012  198.391    59.595   153.280    92.735   230.129    77.783   33.486  10.358  41.640  7.9892  -8.153229      13.08119 
1 1 1 -11 20  38 o 45.333  7.5239  270.376    79.859   84.212     236.402  294.358    84.847   34.767  15.094  47.278  7.6583  -12.51100      16.92562 
1 1 1 -11 20  39 o 59.241  5.5123  444.002    78.327   404.735    117.443  475.462    105.121  54.633  9.1853  60.412  7.3208  -5.778904      11.74586 
1 1 1 -11 20  40 o 31.681  8.6511  136.961    68.375   0.0000     0.0000   136.961    68.375   ?       ?       31.681  8.6511  0.000000       8.651145 
1 1 1 -11 20  41 o 23.775  10.289  12.571     109.130  0.0000     0.0000   12.571     109.130  ?       ?       23.775  10.289  0.000000       10.28855 
1 1 1 -11 20  42 o 20.061  8.2874  22.916     65.545   -60.3737   81.549   174.923    110.168  17.245  8.0256  35.208  11.343  -17.96338      13.89525 
1 1 1 -11 20  43 o 32.262  9.9693  143.699    85.929   177.086    93.401   -40.2840   219.254  35.480  10.265  29.585  13.549  5.894785       16.99832 
1 1 1 -11 20  44 o 44.716  9.5850  278.148    100.870  251.567    107.060  488.305    301.030  41.965  10.531  51.148  18.660  -9.183167      21.42693 
1 1 1 -11 20  45 o 28.814  9.0348  113.268    70.284   105.927    85.826   128.213    122.463  28.425  10.013  31.385  11.818  -2.960411      15.48986 
1 1 1 -11 21  1  o 159.175 4.3518  3080.48    168.078  3161.06    235.469  2996.78    239.993  161.084 6.0244  156.811 6.3075  4.272675       8.722296 
1 1 1 -11 21  2  o 86.037  3.7417  899.487    78.112   897.948    109.787  901.065    111.160  85.732  5.3037  85.875  5.3616  -0.1429214     7.541668 
1 1 1 -11 21  3  o 167.350 4.4528  3405.37    180.810  3536.29    253.896  3270.65    257.550  170.364 6.1420  163.801 6.4801  6.563293       8.928402 
1 1 1 -11 21  4  o 266.829 5.9477  8672.51    385.075  8752.84    542.463  8590.92    546.719  267.540 8.3563  265.018 8.5021  2.522888       11.92116 
1 1 1 -11 21  5  o 126.033 4.0211  1930.63    122.967  1954.68    173.053  1906.11    174.763  126.703 5.6289  125.109 5.7570  1.594574       8.051602 
1 1 1 -11 21  6  o 31.775  6.1981  127.239    46.070   91.019     60.886   175.750    70.464   27.288  8.3851  37.218  8.0379  -9.929602      11.61542 
1 1 1 -11 21  7  o 254.033 5.7199  7858.71    352.567  7766.87    496.995  7951.74    500.230  252.061 8.1261  255.054 8.0830  -2.992325      11.46161 
1 1 1 -11 21  8  o 76.123  4.1532  706.528    76.422   786.796    106.339  620.788    109.904  80.203  5.4975  71.073  6.4430  9.130142       8.469687 
1 1 1 -11 21  9  o 172.250 4.5970  3608.64    192.133  3455.95    270.439  3764.24    273.012  168.341 6.6209  175.718 6.4033  -7.377319      9.210740 
1 1 1 -11 21  10 o 83.540  5.8786  854.385    118.400  895.572    196.780  831.013    148.235  84.897  9.7283  82.145  7.5206  2.751961       12.29627 
1 1 1 -11 21  11 f 157.652 6.3200  3030.30    241.759  3091.50    370.542  2984.93    319.013  158.423 9.6861  155.938 8.4629  2.484406       12.86238 
1 1 1 -11 21  12 o 75.639  6.1242  701.967    111.435  631.024    189.454  739.494    137.790  70.673  11.439  77.451  7.4230  -6.778160      13.63645 
1 1 1 -11 21  13 o 114.137 5.9847  1592.39    165.166  1385.87    265.648  1722.54    210.881  105.600 10.507  118.500 7.3708  -12.90026      12.83467 
1 1 1 -11 21  14 o 102.451 4.5441  1277.13    112.961  1248.67    142.979  1324.41    184.263  101.037 5.8572  103.828 7.3618  -2.790810      9.407609 
1 1 1 -11 21  15 o 130.922 4.2410  2085.21    134.725  2059.46    192.044  2110.17    189.050  129.923 6.0919  131.533 5.9235  -1.609787      8.496988 
1 1 1 -11 21  16 o 150.401 4.9500  2755.49    180.642  2538.05    292.206  2889.99    229.819  143.557 8.4258  153.858 6.1560  -10.30150      10.43505 
1 1 1 -11 21  17 o 93.173  4.1921  1056.60    94.772   1114.94    133.587  997.473    134.474  95.398  5.7986  90.150  6.1850  5.247787       8.478137 
1 1 1 -11 21  18 o 175.494 4.7378  3753.90    201.744  3795.25    285.674  3712.76    284.947  176.053 6.6875  174.115 6.7447  1.937454       9.498089 
1 1 1 -11 21  19 o 130.896 4.3539  2088.03    138.282  2159.31    196.428  2017.99    194.704  132.827 6.0947  128.378 6.2506  4.449219       8.730140 
1 1 1 -11 21  20 o 42.739  5.3864  226.796    54.619   240.929    76.522   212.117    77.984   43.644  7.4961  40.752  8.1710  2.891335       11.08858 
1 1 1 -11 21  21 o 76.848  4.6211  723.747    85.767   744.356    131.964  708.675    112.852  77.417  7.1044  75.737  6.1952  1.680374       9.426174 
1 1 1 -11 21  22 o 115.782 4.2664  1636.73    119.857  1572.76    170.515  1699.20    168.509  112.923 6.2475  117.480 5.9306  -4.557495      8.614171 
1 1 1 -11 21  23 o 111.305 4.2783  1513.89    115.546  1577.61    166.009  1454.01    160.923  113.057 6.0738  108.506 6.1374  4.551140       8.634750 
1 1 1 -11 21  24 o 18.394  7.1885  26.029     46.477   29.830     60.384   20.505     72.800   20.535  8.1414  21.270  8.7548  -0.7353840     11.95530 
1 1 1 -11 21  25 o 57.148  4.9020  403.642    67.314   450.944    89.995   343.569    101.419  60.094  6.2641  51.761  8.3602  8.333412       10.44658 
1 1 1 -11 21  26 o 50.396  6.9141  321.204    82.318   334.497    90.649   258.691    196.576  51.266  7.5100  44.326  15.180  6.939682       16.93604 
1 1 1 -11 21  27 o 95.210  5.9814  1125.83    137.479  1136.37    163.479  1100.36    254.074  95.198  7.1291  91.217  11.753  3.981407       13.74598 
1 1 1 -11 21  28 o 119.982 6.1948  1790.01    179.731  1646.23    217.541  2099.22    319.018  114.182 7.9005  127.221 10.426  -13.03873      13.08142 
1 1 1 -11 21  29 o 119.995 4.3763  1767.17    127.420  1635.71    180.261  1898.45    180.137  114.477 6.5166  123.748 5.9993  -9.271507      8.857625 
1 1 1 -11 21  30 o 53.979  5.4617  363.676    70.550   386.149    101.818  342.922    97.847   54.851  7.8763  51.558  8.0875  3.292530       11.28909 
1 1 1 -11 21  31 o 44.327  5.9189  248.036    62.072   280.798    95.463   224.039    81.700   46.229  8.8325  41.313  8.4356  4.916367       12.21364 
1 1 1 -11 21  32 o 44.571  9.2715  264.309    97.003   264.309    97.003   0.0000     0.0000   44.571  9.2715  ?       ?       0.000000       9.271478 
1 1 1 -11 21  33 o 44.976  15.978  289.421    218.989  289.421    218.989  0.0000     0.0000   44.976  15.978  ?       ?       0.000000       15.97813 
1 1 1 -11 21  34 o 28.995  8.7260  110.676    66.409   111.441    191.953  110.573    70.780   34.694  14.241  29.064  9.0590  5.630054       16.87775 
1 1 1 -11 21  35 o 51.960  6.1820  343.680    76.410   481.732    110.998  219.337    105.343  60.925  7.6791  39.687  10.697  21.23809       13.16791 
1 1 1 -11 21  36 o 60.592  5.3528  461.836    77.889   485.786    116.497  442.475    104.741  60.830  8.0938  58.283  7.5862  2.546215       11.09324 
1 1 1 -11 21  37 o 43.899  7.8882  256.011    80.934   410.719    232.046  234.583    86.357   49.928  16.487  41.549  8.8377  8.379482       18.70611 
1 1 1 -11 21  38 o 31.678  8.1547  135.973    63.051   291.833    93.412   5.5382     85.454   46.499  8.5959  21.077  9.1127  25.42203       12.52725 
1 1 1 -11 21  39 o 37.300  6.4684  181.579    56.421   130.994    90.398   213.858    72.213   31.057  10.292  40.018  7.7166  -8.960779      12.86356 
1 1 1 -11 21  40 o 19.590  9.1223  -71.8985   105.586  0.0000     0.0000   -71.8985   105.586  ?       ?       19.590  9.1223  0.000000       9.122322 
1 1 1 -11 21  41 o 52.634  6.5323  357.667    81.631   352.803    104.264  365.372    131.216  51.128  8.7171  50.621  10.998  0.5074768      14.03340 
1 1 1 -11 21  42 o 26.883  9.7017  88.859     81.051   40.803     86.098   463.138    240.277  23.392  9.5619  52.058  16.750  -28.66614      19.28688 
1 1 1 -11 21  43 o 41.613  9.5156  241.661    93.990   220.328    102.664  352.129    233.623  39.204  10.557  45.661  16.472  -6.456348      19.56507 
1 1 1 -11 21  44 o 29.104  9.0575  116.056    70.787   80.340     86.902   186.480    122.028  26.257  9.9397  35.676  11.961  -9.418921      15.55217 
1 1 1 -11 22  1  o 127.868 4.0324  1987.38    125.109  1958.84    174.672  2017.44    179.281  126.829 5.6760  128.707 5.7407  -1.877365      8.072964 
1 1 1 -11 22  2  o 168.759 4.4717  3463.20    183.104  3508.73    256.653  3416.00    261.306  169.678 6.2338  167.397 6.4334  2.281891       8.958186 
1 1 1 -11 22  3  o 180.933 4.5892  3981.43    201.474  3996.80    282.928  3965.62    286.969  181.067 6.4398  180.343 6.5580  0.7237091      9.191230 
1 1 1 -11 22  4  o 239.475 5.4997  6982.29    319.571  6883.70    450.040  7082.56    453.867  237.351 7.8144  240.765 7.7691  -3.413818      11.01927 
1 1 1 -11 22  5  o 187.804 4.7777  4290.59    217.715  4238.68    305.883  4343.89    309.949  186.413 6.7626  188.711 6.7691  -2.298386      9.568349 
1 1 1 -11 22  6  o 214.834 5.2267  5617.70    272.454  5675.10    383.917  5559.47    386.715  215.587 7.3392  213.355 7.4700  2.232086       10.47214 
1 1 1 -11 22  7  o 117.675 3.9790  1683.21    113.612  1624.31    159.117  1744.47    162.273  115.483 5.6785  119.686 5.5878  -4.202553      7.966720 
1 1 1 -11 22  8  o 167.123 6.5798  3406.62    266.814  2762.90    401.678  3914.93    356.936  149.365 11.164  178.890 8.2232  -29.52559      13.86559 
1 1 1 -11 22  9  o 76.825  6.1818  724.095    114.259  306.581    187.274  971.668    144.209  49.222  14.617  88.990  6.7284  -39.76715      16.09159 
1 1 1 -11 22  10 o 119.194 5.8761  1731.38    169.945  1937.77    267.850  1592.31    219.868  125.439 8.8572  113.814 8.0128  11.62547       11.94378 
1 1 1 -11 22  11 o 73.468  6.0883  662.571    107.554  632.416    179.260  679.532    134.441  70.883  10.761  74.176  7.5760  -3.293549      13.16026 
1 1 1 -11 22  12 o 192.010 7.0012  4503.91    326.180  4402.81    491.251  4583.62    436.214  188.661 10.776  193.191 9.3057  -4.529831      14.23799 
1 1 1 -11 22  13 o 160.656 4.5363  3141.00    176.833  3065.22    249.200  3217.85    250.969  158.452 6.4817  162.366 6.3703  -3.914337      9.088086 
1 1 1 -11 22  14 o 53.109  4.6819  346.039    59.715   364.513    83.014   326.230    85.961   54.261  6.4304  51.168  7.1163  3.092228       9.591280 
1 1 1 -11 22  15 o 75.453  4.5055  695.614    82.111   662.363    126.935  719.538    107.672  73.204  7.2413  76.564  5.8399  -3.359467      9.302707 
1 1 1 -11 22  16 o 124.829 4.7486  1898.81    143.830  1899.32    229.803  1898.48    184.417  124.181 7.6642  124.641 6.0978  -0.4602280     9.794059 
1 1 1 -11 22  17 o 25.248  7.3047  79.901     47.301   115.062    64.605   39.277     69.443   30.142  8.4780  22.580  8.7972  7.562460       12.21747 
1 1 1 -11 22  18 o 54.568  4.9559  366.421    64.902   368.020    89.841   364.677    93.862   54.315  6.9783  53.982  7.3577  0.3328362      10.14063 
1 1 1 -11 22  19 o 99.864  4.2091  1216.05    101.990  1152.50    144.111  1279.83    144.361  96.748  6.1711  102.045 5.8549  -5.296471      8.506550 
1 1 1 -11 22  20 o 72.273  4.3027  639.744    75.113   592.539    105.688  687.922    106.772  69.149  6.3707  74.645  5.9444  -5.495232      8.713313 
1 1 1 -11 22  21 o 49.887  5.0018  307.672    59.730   242.914    86.045   367.898    82.979   43.482  8.4601  54.297  6.4229  -10.81515      10.62200 
1 1 1 -11 22  22 o 56.592  4.7231  394.762    64.263   472.227    90.847   317.180    90.915   61.617  6.1589  49.973  7.7487  11.64352       9.898203 
1 1 1 -11 22  23 o 43.056  5.3230  231.122    54.425   322.723    75.640   132.787    78.370   50.758  6.2752  32.110  9.4351  18.64815       11.33136 
1 1 1 -11 22  24 o 49.583  5.0775  305.134    60.225   262.728    85.609   346.683    84.740   45.175  8.1079  52.442  6.8211  -7.266212      10.59555 
1 1 1 -11 22  25 o 63.012  6.5228  497.630    98.284   517.291    110.852  425.371    212.514  64.017  7.2651  54.856  15.358  9.161377       16.98945 
1 1 1 -11 22  26 o 154.945 6.5141  2983.61    244.903  2739.78    307.531  3406.30    404.910  146.919 8.6651  162.392 10.330  -15.47205      13.48293 
1 1 1 -11 22  27 o 84.392  6.0447  887.177    122.956  903.085    143.596  843.463    238.041  84.757  7.0462  78.816  12.893  5.941269       14.69292 
1 1 1 -11 22  28 o 69.461  4.6691  595.870    78.236   604.673    107.833  586.086    113.682  69.418  6.4769  68.156  6.9724  1.261673       9.516531 
1 1 1 -11 22  29 o 52.283  5.8561  343.001    73.014   378.858    107.726  312.534    99.302   54.058  8.4929  48.930  8.6820  5.127953       12.14523 
1 1 1 -11 22  30 o 55.889  5.3355  389.785    71.476   410.304    106.660  373.060    96.296   56.417  8.0172  53.923  7.5683  2.493782       11.02516 
1 1 1 -11 22  31 o 49.413  8.7886  321.184    101.512  321.184    101.512  0.0000     0.0000   49.413  8.7886  ?       ?       0.000000       8.788648 
1 1 1 -11 22  32 o 36.271  14.788  128.099    205.253  128.099    205.253  0.0000     0.0000   36.271  14.788  ?       ?       0.000000       14.78782 
1 1 1 -11 22  33 o 40.305  8.1463  215.207    76.928   120.965    212.040  229.492    82.553   35.947  14.882  41.523  8.4804  -5.576111      17.12907 
1 1 1 -11 22  34 o 75.701  5.2069  716.740    95.060   761.269    129.709  665.074    139.719  77.113  7.0089  71.346  8.2213  5.767220       10.80346 
1 1 1 -11 22  35 o 42.819  5.9567  234.628    60.211   117.993    94.882   313.265    77.908   30.239  10.536  49.279  6.6884  -19.04012      12.47958 
1 1 1 -11 22  36 o 61.107  6.9412  482.853    101.091  548.957    254.287  470.445    110.172  56.971  17.059  59.855  7.7691  -2.884415      18.74508 
1 1 1 -11 22  37 o 16.087  6.8355  5.1583     46.548   42.729     84.703   -11.0969   55.715   23.414  9.5176  16.248  7.1821  7.166277       11.92339 
1 1 1 -11 22  38 o 13.763  6.2359  -21.4256   44.880   -9.7533    84.871   -25.9566   52.878   20.083  8.8714  14.830  6.7384  5.253072       11.14036 
1 1 1 -11 22  39 f 22.799  9.9502  4.6231     103.871  0.0000     0.0000   4.6231     103.871  ?       ?       22.799  9.9502  0.000000       9.950235 
1 1 1 -11 22  40 o 17.484  7.5788  -0.7900    59.416   30.556     77.352   -45.8992   92.792   21.832  9.0097  19.208  8.8033  2.623833       12.59656 
1 1 1 -11 22  41 o 40.068  8.0989  216.600    76.031   292.725    100.896  116.567    115.660  46.058  9.3477  30.573  11.491  15.48531       14.81265 
1 1 1 -11 22  42 o 48.722  8.8150  323.806    100.375  351.129    110.353  192.885    241.556  50.442  9.3609  38.142  15.845  12.30048       18.40395 
1 1 1 -11 22  43 o 54.657  6.0242  384.584    78.566   485.212    102.444  240.870    122.427  60.833  7.0723  40.081  11.797  20.75251       13.75449 
1 1 1 -11 23  1  o 139.676 4.1411  2371.79    140.348  2392.54    197.009  2350.40    199.990  140.148 5.7934  138.895 5.9342  1.253616       8.293247 
1 1 1 -11 23  2  o 224.473 5.3262  6134.11    290.098  6280.57    407.908  5984.21    412.654  226.774 7.4132  221.304 7.6848  5.469528       10.67762 
1 1 1 -11 23  3  o 61.721  4.1928  465.292    62.419   393.043    85.040   549.681    91.908   56.434  6.3188  66.937  5.7135  -10.50311      8.518875 
1 1 1 -11 23  4  o 143.251 4.2244  2495.06    146.833  2473.45    205.759  2517.48    209.599  142.475 5.9519  143.731 6.0100  -1.256363      8.458448 
1 1 1 -11 23  5  o 165.688 4.4624  3338.82    179.400  3344.22    252.012  3333.27    255.444  165.622 6.2711  165.338 6.3674  0.2836304      8.936972 
1 1 1 -11 23  6  o 37.148  8.3923  175.554    73.862   -41.0084   128.397  282.665    90.299   24.575  10.881  47.417  8.1417  -22.84225      13.58977 
1 1 1 -11 23  7  f 178.593 6.6724  3891.91    289.141  3751.06    434.692  4003.67    387.226  174.345 10.322  180.751 8.8292  -6.406021      13.58270 
1 1 1 -11 23  8  o 154.360 6.3095  2905.99    236.318  2607.20    359.521  3133.30    313.577  145.234 10.268  159.809 8.1135  -14.57507      13.08693 
1 1 1 -11 23  9  o 159.851 6.4556  3117.76    250.389  2749.20    381.873  3395.72    331.628  149.022 10.631  166.533 8.2070  -17.51083      13.43012 
1 1 1 -11 23  10 o 172.070 6.6109  3614.53    276.013  3478.41    417.442  3720.26    367.916  167.754 10.305  174.172 8.7058  -6.417648      13.49044 
1 1 1 -11 23  11 o 183.870 4.7777  4115.72    213.155  4067.33    300.106  4164.98    302.805  182.470 6.7783  184.651 6.7585  -2.180984      9.571935 
1 1 1 -11 23  12 o 168.241 4.6162  3445.71    188.444  3266.45    264.852  3629.51    268.180  163.503 6.6759  172.398 6.4111  -8.894852      9.255793 
1 1 1 -11 23  13 o 56.376  4.6118  389.568    62.534   320.286    87.565   461.678    89.335   50.635  7.3412  61.195  6.0977  -10.55952      9.543334 
1 1 1 -11 23  14 o 173.581 5.3150  3674.95    223.857  3533.57    367.883  3758.08    282.095  169.146 8.9960  175.274 6.6330  -6.128220      11.17698 
1 1 1 -11 23  15 o 164.914 4.6086  3314.28    184.412  3246.00    260.408  3382.97    261.190  162.827 6.5912  166.253 6.4747  -3.426208      9.239357 
1 1 1 -11 23  16 o 138.712 4.3722  2344.96    147.156  2264.59    206.695  2427.57    209.556  135.989 6.2641  140.825 6.1328  -4.835602      8.766434 
1 1 1 -11 23  17 o 71.065  4.2570  617.876    73.067   608.320    99.932   628.854    107.105  70.237  5.9189  71.356  6.2491  -1.119293      8.607225 
1 1 1 -11 23  18 o 101.486 4.2081  1256.29    103.623  1191.93    144.664  1324.12    148.500  98.380  6.0902  103.752 5.9234  -5.371796      8.495693 
1 1 1 -11 23  19 f 63.507  4.5796  495.352    70.097   544.736    98.783   445.266    99.483   66.288  6.2142  59.692  7.0017  6.596420       9.361578 
1 1 1 -11 23  20 o 75.143  4.3290  692.251    78.596   665.710    109.619  720.329    112.750  73.275  6.2244  76.261  6.1454  -2.986839      8.746942 
1 1 1 -11 23  21 o 22.489  7.1576  61.728     43.967   41.861     59.839   85.037     64.817   21.601  8.2309  26.508  8.7116  -4.907158      11.98500 
1 1 1 -11 23  22 o 22.951  7.2164  64.967     44.805   23.338     61.231   112.947    65.736   20.045  8.1121  29.658  8.6203  -9.613468      11.83702 
1 1 1 -11 23  23 o 69.014  4.5020  586.330    74.975   602.866    106.328  569.979    105.737  69.488  6.3775  67.502  6.5376  1.985664       9.133097 
1 1 1 -11 23  24 o 122.538 5.9955  1858.35    178.262  1837.23    225.211  1893.79    291.693  120.838 7.7214  121.245 10.004  -0.4078293     12.63762 
1 1 1 -11 23  25 o 90.464  6.1516  1019.47    134.227  1001.84    157.209  1066.92    257.835  89.190  7.3292  89.305  12.219  -0.1144409     14.24884 
1 1 1 -11 23  26 o 61.014  6.6098  468.774    96.289   524.154    107.793  250.048    214.220  64.413  7.0100  43.704  15.772  20.70948       17.26000 
1 1 1 -11 23  27 o 13.400  6.1211  -27.9278   44.372   -44.8056   56.310   -0.2787    72.072   14.524  6.7285  19.555  8.4119  -5.030869      10.77181 
1 1 1 -11 23  28 o 83.417  4.8495  860.380    97.732   889.028    139.431  832.711    137.029  84.004  6.9016  81.231  7.0213  2.773193       9.845316 
1 1 1 -11 23  29 o 20.373  7.8968  35.851     55.734   143.480    99.184   -13.8170   67.378   33.189  10.770  18.000  7.9303  15.18868       13.37479 
1 1 1 -11 23  30 o 82.417  6.7019  857.814    132.863  857.814    132.863  0.0000     0.0000   82.417  6.7019  ?       ?       0.000000       6.701921 
1 1 1 -11 23  31 o 37.132  15.301  133.111    222.670  133.111    222.670  0.0000     0.0000   37.132  15.301  ?       ?       0.000000       15.30066 
1 1 1 -11 23  32 o 31.495  8.8165  132.992    70.041   -44.1779   222.326  152.513    73.798   30.430  13.823  33.636  8.9030  -3.205818      16.44228 
1 1 1 -11 23  33 o 67.184  5.1583  565.234    83.447   583.281    122.029  549.382    114.368  67.049  7.6370  65.201  7.3578  1.847809       10.60477 
1 1 1 -11 23  34 o 39.109  6.8881  199.936    62.976   305.452    97.235   123.693    82.654   47.662  8.7295  30.400  9.8284  17.26262       13.14539 
1 1 1 -11 23  35 o 67.912  6.6912  593.453    108.826  301.696    281.986  644.511    117.965  43.817  17.522  70.625  6.9750  -26.80769      18.85916 
1 1 1 -11 23  36 o 25.684  8.1629  86.656     57.201   126.915    96.375   64.761     71.073   30.770  10.624  24.084  9.0162  6.685928       13.93437 
1 1 1 -11 23  37 o 62.694  5.3391  497.227    80.445   512.144    119.269  484.776    108.962  62.043  8.1173  60.687  7.5638  1.355473       11.09513 
1 1 1 -11 23  38 o 45.110  10.277  288.584    109.977  0.0000     0.0000   288.584    109.977  ?       ?       45.110  10.277  0.000000       10.27698 
1 1 1 -11 23  39 o 17.289  7.5257  -2.5968    59.073   -58.0816   79.077   67.464     88.859   16.967  7.8986  25.503  9.9472  -8.536497      12.70176 
1 1 1 -11 23  40 o 22.489  8.3545  56.249     60.794   56.826     87.105   55.701     84.888   24.565  9.7659  24.313  9.6486  0.2526741      13.72843 
1 1 1 -11 23  41 o 35.110  9.7076  173.926    85.470   185.386    90.859   85.821     251.921  36.116  10.017  34.477  15.254  1.639400       18.24950 
1 1 1 -11 23  42 o 57.700  7.3870  440.435    101.047  391.596    109.841  709.288    257.718  53.493  8.7664  63.947  16.500  -10.45418      18.68389 
1 1 1 -11 24  1  o 185.102 4.8282  4169.00    216.850  4343.83    304.125  3988.18    309.285  188.696 6.6424  180.743 7.0524  7.953384       9.687982 
1 1 1 -11 24  2  o 199.013 4.9743  4820.18    240.202  4662.90    337.082  4982.43    342.375  195.419 7.1089  202.026 6.9844  -6.607117      9.965890 
1 1 1 -11 24  3  o 115.774 4.0454  1629.56    113.640  1582.48    159.110  1678.57    162.361  113.820 5.7802  117.380 5.7006  -3.560715      8.118377 
1 1 1 -11 24  4  o 163.276 6.3502  3251.38    251.579  3154.78    380.616  3326.33    335.257  159.950 9.8550  164.611 8.4220  -4.660110      12.96344 
1 1 1 -11 24  5  o 112.741 5.8318  1553.14    158.988  1201.05    250.534  1790.53    205.717  98.200  10.687  120.884 7.0440  -22.68476      12.79978 
1 1 1 -11 24  6  o 86.778  5.6893  921.516    119.131  712.890    194.717  1046.33    150.609  75.289  10.982  92.337  6.7694  -17.04756      12.90078 
1 1 1 -11 24  7  o 152.218 6.2309  2826.39    230.135  2706.75    350.466  2917.08    305.141  148.057 9.8112  154.126 8.1888  -6.068832      12.77950 
1 1 1 -11 24  8  o 244.331 8.0853  7311.58    479.332  7054.75    705.071  7532.29    653.607  238.261 12.237  247.038 10.904  -8.776505      16.39053 
1 1 1 -11 24  9  o 178.842 4.6914  3893.40    203.579  4001.14    286.969  3784.24    288.847  181.015 6.5337  176.000 6.7638  5.015488       9.404135 
1 1 1 -11 24  10 f 157.087 4.4808  3003.44    170.791  2976.78    240.112  3030.73    242.982  156.137 6.3379  157.542 6.3564  -1.405304      8.976234 
1 1 1 -11 24  11 o 161.263 4.5413  3166.25    177.696  3125.41    249.861  3208.04    252.764  159.934 6.4386  162.036 6.4289  -2.102158      9.098727 
1 1 1 -11 24  12 o 10.350  4.9850  -57.0087   37.120   -33.1250   47.510   -94.4309   59.471   13.784  6.3108  12.962  6.2591  0.8228722      8.888300 
1 1 1 -11 24  13 o ?       ?       -122.0705  32.127   -89.4860   40.641   -176.3536  52.455   9.7044  4.7882  9.4303  4.7636  0.2740736      6.754194 
1 1 1 -11 24  14 f 194.665 4.9494  4623.21    233.780  4518.77    329.721  4728.79    331.515  191.893 7.0815  196.340 6.9587  -4.447021      9.928329 
1 1 1 -11 24  15 o 92.339  4.1132  1038.95    92.157   932.552    129.174  1149.24    131.517  87.038  6.1562  96.774  5.6252  -9.736526      8.339147 
1 1 1 -11 24  16 o 148.105 4.4574  2676.53    160.182  2673.40    226.349  2679.67    226.715  147.590 6.3206  147.763 6.3234  -0.1722870     8.940647 
1 1 1 -11 24  17 o 77.050  4.2818  726.769    79.735   685.666    109.100  773.894    116.819  74.487  6.0897  79.153  6.1303  -4.666512      8.640889 
1 1 1 -11 24  18 o 101.869 4.1943  1267.14    103.673  1254.31    145.090  1280.53    148.192  100.854 5.9554  101.888 6.0210  -1.034073      8.468741 
1 1 1 -11 24  19 o 27.233  7.3239  95.088     49.447   127.125    65.354   52.192     75.623   31.375  8.4124  24.151  9.2410  7.223177       12.49654 
1 1 1 -11 24  20 o 95.228  4.2053  1109.05    97.167   1088.56    135.482  1130.74    139.434  93.780  5.9852  95.568  6.0441  -1.787903      8.506146 
1 1 1 -11 24  21 o 90.763  4.2562  1008.50    93.734   1069.59    133.754  949.539    131.397  92.890  5.9659  87.413  6.2360  5.476845       8.630149 
1 1 1 -11 24  22 o 159.201 4.6887  3111.60    181.120  3132.56    257.465  3091.07    254.840  158.773 6.6831  157.732 6.6586  1.041122       9.434050 
1 1 1 -11 24  23 o 42.188  7.2345  228.169    71.391   242.802    83.059   186.787    139.678  43.251  8.2150  38.036  12.797  5.214512       15.20679 
1 1 1 -11 24  24 o 32.181  8.0303  135.555    62.502   192.761    73.026   -21.1426   120.861  38.433  8.0868  23.981  10.590  14.45223       13.32492 
1 1 1 -11 24  25 o 53.581  6.9683  364.493    88.451   387.823    99.654   277.878    192.013  55.047  7.6693  44.891  15.004  10.15622       16.85088 
1 1 1 -11 24  26 o 56.605  5.5259  400.124    74.928   486.707    110.347  326.049    102.065  61.787  7.5150  49.966  8.7368  11.82194       11.52421 
1 1 1 -11 24  27 o 74.933  5.0984  696.620    92.147   718.868    129.796  674.012    130.843  75.321  7.1893  72.770  7.5187  2.551292       10.40269 
1 1 1 -11 24  28 o 72.037  4.9825  644.081    86.553   723.061    131.217  583.249    115.159  75.427  7.2593  67.742  7.1122  7.684868       10.16276 
1 1 1 -11 24  29 o 51.021  9.1064  344.911    108.600  344.911    108.600  0.0000     0.0000   51.021  9.1064  ?       ?       0.000000       9.106400 
1 1 1 -11 24  30 o 42.376  16.147  244.480    230.292  244.480    230.292  0.0000     0.0000   42.376  16.147  ?       ?       0.000000       16.14717 
1 1 1 -11 24  31 o 30.079  9.2411  120.272    73.955   254.902    225.651  104.070    78.279   42.402  16.025  28.521  9.5800  13.88168       18.67035 
1 1 1 -11 24  32 o 71.862  4.9879  645.440    86.433   683.265    125.549  611.362    119.170  72.824  7.1995  68.829  7.2444  3.995018       10.21340 
1 1 1 -11 24  33 o 34.716  7.6677  161.079    62.864   222.473    94.818   112.926    83.974   39.993  9.8387  29.348  9.9221  10.64432       13.97313 
1 1 1 -11 24  34 o 47.238  6.0262  286.385    67.497   275.407    103.586  294.486    88.981   44.420  9.8673  46.933  8.1069  -2.512318      12.77047 
1 1 1 -11 24  35 o 37.703  8.5422  194.586    76.337   198.415    248.611  194.188    80.212   38.645  16.067  37.488  8.9433  1.157040       18.38800 
1 1 1 -11 24  36 o 35.826  7.3628  171.747    61.863   90.663     97.737   225.946    79.907   27.747  10.532  40.740  8.3637  -12.99271      13.44904 
1 1 1 -11 24  37 o 31.039  10.509  131.961    94.211   0.0000     0.0000   131.961    94.211   ?       ?       31.039  10.509  0.000000       10.50941 
1 1 1 -11 24  38 f 26.657  10.294  78.639     94.436   0.0000     0.0000   78.639     94.436   ?       ?       26.657  10.294  0.000000       10.29406 
1 1 1 -11 24  39 o 17.233  7.5081  -2.7832    58.914   -16.5855   78.904   14.606     88.565   18.958  8.4540  21.819  9.3535  -2.860754      12.60786 
1 1 1 -11 24  40 o 26.985  10.033  88.370     87.717   92.129     93.833   62.320     247.012  27.589  10.354  33.424  14.928  -5.835531      18.16670 
1 1 1 -11 24  41 f 34.620  9.7205  170.941    85.007   174.738    90.113   140.254    256.179  34.866  10.081  35.823  15.631  -0.9567490     18.59953 
1 1 1 -11 25  1  o 23.326  8.6866  50.870     65.801   -55.4368   118.615  98.127     79.085   22.835  10.261  29.003  9.6272  -6.167824      14.07007 
1 1 1 -11 25  2  o 158.367 6.3614  3059.49    244.445  2603.13    367.471  3421.71    327.387  145.031 10.514  167.201 8.0697  -22.17014      13.25365 
1 1 1 -11 25  3  o 167.398 6.3580  3418.66    258.248  3595.13    387.805  3278.05    346.168  170.855 9.3906  163.282 8.7695  7.572861       12.84863 
1 1 1 -11 25  4  o 230.073 7.7711  6476.73    433.820  5937.10    636.714  6944.29    592.677  218.674 12.047  237.478 10.286  -18.80388      15.84023 
1 1 1 -11 25  5  o 70.013  5.9818  602.073    100.643  593.984    174.009  606.139    123.372  68.602  10.812  70.030  7.3712  -1.428543      13.08546 
1 1 1 -11 25  6  o 147.615 6.1654  2658.70    220.829  2454.77    338.503  2809.78    291.369  140.862 9.9682  151.261 7.9668  -10.39926      12.76073 
1 1 1 -11 25  7  o 139.345 4.2035  2362.18    142.125  2302.78    200.547  2422.12    201.445  137.383 6.0161  140.914 5.8917  -3.531189      8.420546 
1 1 1 -11 25  8  o 96.199  4.0244  1125.70    93.936   1221.27    131.540  1026.25    134.192  99.943  5.4448  91.498  6.0790  8.444916       8.160879 
1 1 1 -11 25  9  o 62.613  4.3563  479.487    65.771   559.063    92.131   396.781    93.924   67.459  5.6815  56.529  6.9972  10.93011       9.013372 
1 1 1 -11 25  10 o 83.729  4.0939  853.186    83.172   814.542    116.747  893.012    118.519  81.457  5.9479  85.341  5.7572  -3.883514      8.277889 
1 1 1 -11 25  11 o 45.954  5.0648  260.614    55.537   221.441    75.613   306.504    81.838   41.826  7.7353  49.543  7.0031  -7.716534      10.43450 
1 1 1 -11 25  12 o 89.360  4.0103  972.258    86.954   974.562    120.984  969.796    125.059  89.138  5.6226  88.882  5.8311  0.2556763      8.100293 
1 1 1 -11 25  13 o 134.110 4.3017  2192.15    139.981  2103.40    196.319  2283.93    199.649  131.046 6.1741  136.585 6.0242  -5.538818      8.626155 
1 1 1 -11 25  14 o 130.376 4.3287  2073.04    136.936  2062.79    192.934  2083.45    194.389  129.711 6.1301  130.356 6.1458  -0.6445160     8.680347 
1 1 1 -11 25  15 o 190.109 4.9533  4418.68    228.488  4310.59    322.116  4528.14    324.154  187.014 7.0986  191.730 6.9678  -4.716019      9.946927 
1 1 1 -11 25  16 o 228.273 5.5682  6391.05    308.413  6348.59    435.346  6433.83    436.983  226.256 7.9299  227.785 7.9063  -1.528503      11.19795 
1 1 1 -11 25  17 o 138.254 4.3684  2336.41    146.543  2256.37    205.391  2419.40    209.148  135.336 6.2547  140.175 6.1492  -4.839355      8.771162 
1 1 1 -11 25  18 o 35.051  6.2519  155.938    51.222   167.630    69.733   142.237    75.485   35.966  8.1759  33.112  9.1097  2.853783       12.24057 
1 1 1 -11 25  19 o 93.841  4.2200  1077.56    96.088   992.347    134.092  1167.50    137.760  89.406  6.2199  97.124  5.8733  -7.718292      8.554699 
1 1 1 -11 25  20 o 54.851  4.7688  372.068    62.837   375.607    85.465   367.905    92.707   54.657  6.5763  53.876  7.2780  0.7806206      9.809010 
1 1 1 -11 25  21 o 96.975  5.9577  1168.05    139.506  1291.37    173.676  943.783    234.212  101.500 7.0966  84.326  11.767  17.17404       13.74170 
1 1 1 -11 25  22 o 41.103  7.3962  217.580    71.051   258.948    82.610   100.001    139.273  44.771  7.8930  32.063  12.468  12.70781       14.75613 
1 1 1 -11 25  23 o 17.445  7.3208  8.0717     52.328   3.8619     58.624   24.572     116.062  18.024  7.6651  25.811  10.871  -7.786837      13.30153 
1 1 1 -11 25  24 o 64.841  4.5432  519.460    71.027   512.589    99.592   526.573    101.326  63.804  6.5248  64.668  6.5478  -0.8639679     9.243727 
1 1 1 -11 25  25 o 76.264  4.9803  720.576    91.653   732.441    126.071  707.274    133.481  76.181  6.8950  74.601  7.4746  1.579773       10.16914 
1 1 1 -11 25  26 o 47.722  6.3924  289.033    72.160   318.119    105.733  263.675    98.726   49.041  9.2241  44.469  9.4416  4.571892       13.19956 
1 1 1 -11 25  27 o 35.432  8.0208  165.640    67.350   190.736    102.819  146.779    89.135   37.450  10.751  33.227  10.134  4.223515       14.77446 
1 1 1 -11 25  28 o 32.494  14.113  36.284     206.858  36.284     206.858  0.0000     0.0000   32.494  14.113  ?       ?       0.000000       14.11322 
1 1 1 -11 25  29 o 40.939  15.872  220.758    225.193  220.758    225.193  0.0000     0.0000   40.939  15.872  ?       ?       0.000000       15.87191 
1 1 1 -11 25  30 o 41.918  8.5298  235.244    83.804   418.577    246.273  211.234    89.123   50.907  16.993  39.315  9.4578  11.59158       19.44755 
1 1 1 -11 25  31 o 59.752  5.2106  448.758    74.788   554.175    108.604  353.681    103.141  65.619  6.9258  51.489  8.5560  14.13018       11.00778 
1 1 1 -11 25  32 o 16.193  6.8896  4.6327     47.401   -27.8015   82.517   20.606     57.908   18.909  8.5215  18.983  7.8102  -0.7362938E-01 11.55920 
1 1 1 -11 25  33 o 53.798  5.7670  369.166    74.106   452.476    110.016  299.970    100.265  58.411  7.9705  46.743  9.1679  11.66751       12.14823 
1 1 1 -11 25  34 o 44.644  7.6339  265.719    79.722   471.153    251.758  242.824    84.047   51.408  17.181  42.197  8.5026  9.210659       19.16974 
1 1 1 -11 25  35 o 27.297  8.0699  100.656    57.177   14.173     94.386   150.791    71.865   22.317  9.6131  32.979  8.8126  -10.66127      13.04123 
1 1 1 -11 25  36 o 37.897  10.322  206.288    97.486   0.0000     0.0000   206.288    97.486   ?       ?       37.897  10.322  0.000000       10.32211 
1 1 1 -11 25  37 o 22.851  9.3288  40.330     81.819   0.0000     0.0000   40.330     81.819   ?       ?       22.851  9.3288  0.000000       9.328846 
1 1 1 -11 25  38 o 23.138  8.6144  60.504     64.704   -50.6168   89.430   182.569    93.731   18.522  8.5448  35.731  10.267  -17.20936      13.35753 
1 1 1 -11 25  39 o 27.856  10.412  95.632     94.715   60.455     102.005  315.691    255.132  25.728  10.450  42.944  16.826  -17.21637      19.80685 
1 1 1 -11 25  40 o 30.244  10.387  126.632    92.062   128.979    98.598   110.664    257.133  30.564  10.735  34.734  15.388  -4.170366      18.76227 
1 1 1 -11 26  1  o 117.079 5.7954  1671.08    164.638  1536.88    254.885  1767.15    215.665  111.434 9.5181  119.984 7.4446  -8.550201      12.08368 
1 1 1 -11 26  2  o 122.663 5.8282  1834.57    173.464  1883.81    268.407  1799.25    227.313  123.554 9.0153  120.997 7.7839  2.556435       11.91071 
1 1 1 -11 26  3  o 197.325 7.1046  4759.96    340.161  4292.07    504.434  5150.16    460.661  186.003 11.230  204.708 9.2744  -18.70436      14.56419 
1 1 1 -11 26  4  o 112.109 5.7619  1536.69    156.208  1421.97    245.635  1614.59    202.410  107.096 9.5529  114.658 7.3136  -7.561768      12.03113 
1 1 1 -11 26  5  o 99.553  3.9864  1205.47    96.293   1088.24    134.601  1328.36    137.814  94.261  5.9151  104.245 5.4675  -9.984131      8.054924 
1 1 1 -11 26  6  o 29.498  6.5283  110.460    45.489   104.491    62.477   117.194    66.362   28.892  8.4056  30.483  8.5990  -1.590733      12.02485 
1 1 1 -11 26  7  o 38.036  5.5586  180.153    49.787   232.563    69.026   123.319    71.880   43.088  6.8301  31.296  8.9905  11.79184       11.29066 
1 1 1 -11 26  8  o 64.190  4.2586  503.791    65.952   538.975    92.584   467.545    93.971   66.189  5.8242  61.517  6.3887  4.671318       8.645029 
1 1 1 -11 26  9  o 115.849 4.1222  1633.91    115.873  1558.70    162.172  1712.35    165.620  112.787 5.9469  118.401 5.7649  -5.614563      8.282515 
1 1 1 -11 26  10 o 111.300 4.1119  1508.56    111.044  1517.73    155.297  1498.96    158.843  111.288 5.7709  110.562 5.9428  0.7259216      8.283755 
1 1 1 -11 26  11 o ?       ?       -144.2709  30.262   -165.9742  39.240   -112.4165  47.539   ?       ?       10.233  5.0723  0.000000       5.072288 
1 1 1 -11 26  12 o 107.567 4.0829  1410.22    106.564  1340.89    149.415  1481.99    152.027  104.463 5.9191  109.882 5.7218  -5.418983      8.232548 
1 1 1 -11 26  13 o 177.118 4.7972  3832.87    206.163  3698.42    290.249  3969.77    292.886  173.333 6.9012  179.647 6.7192  -6.313721      9.631930 
1 1 1 -11 26  14 o 35.124  6.0662  155.730    49.830   138.156    68.379   175.632    72.766   32.738  8.5244  36.908  8.3238  -4.170918      11.91429 
1 1 1 -11 26  15 o 172.021 4.7527  3621.09    198.374  3712.91    279.449  3527.83    281.651  173.482 6.6387  169.005 6.8683  4.477615       9.552249 
1 1 1 -11 26  16 o 50.583  4.8070  316.200    58.290   327.767    80.895   303.708    84.064   51.086  6.6867  48.985  7.2953  2.100533       9.896081 
1 1 1 -11 26  17 o 117.019 4.3047  1675.74    122.226  1602.83    170.575  1752.67    175.227  113.760 6.2030  119.017 6.0881  -5.256950      8.691555 
1 1 1 -11 26  18 o 166.760 4.7298  3412.48    191.379  3324.99    268.519  3502.81    272.834  163.641 6.7627  167.999 6.6931  -4.358200      9.514799 
1 1 1 -11 26  19 o 192.463 5.6928  4575.04    265.850  4191.79    435.257  4803.09    335.757  180.720 9.9645  196.275 7.0501  -15.55441      12.20638 
1 1 1 -11 26  20 o 58.182  6.7145  426.828    93.050   455.330    106.423  334.315    191.736  59.849  7.4927  48.766  14.861  11.08248       16.64294 
1 1 1 -11 26  21 o 40.703  7.6506  214.539    72.786   195.216    82.731   280.725    153.115  38.414  9.0285  45.029  13.176  -6.615280      15.97232 
1 1 1 -11 26  22 o 54.854  6.4193  379.660    83.824   301.002    98.651   583.938    158.979  47.941  8.8051  66.528  10.172  -18.58687      13.45331 
1 1 1 -11 26  23 o 65.565  4.5397  531.327    71.777   490.910    100.503  573.402    102.543  62.312  6.7554  67.554  6.3298  -5.241516      9.257527 
1 1 1 -11 26  24 o 14.212  6.5117  -33.0029   50.721   70.113     74.348   -122.7762  69.371   25.327  9.2685  13.392  6.5348  11.93411       11.34058 
1 1 1 -11 26  25 o 12.013  5.7936  -75.9640   50.558   -59.0222   73.592   -91.1069   69.576   16.446  7.6440  14.511  6.9464  1.935348       10.32876 
1 1 1 -11 26  26 f 43.970  6.8781  248.569    70.978   234.778    102.007  261.513    98.824   41.520  10.199  44.119  9.5115  -2.598980      13.94592 
1 1 1 -11 26  27 o 58.962  14.845  518.832    212.245  518.832    212.245  0.0000     0.0000   58.962  14.845  ?       ?       0.000000       14.84512 
1 1 1 -11 26  28 o 64.220  15.375  629.258    236.403  629.258    236.403  0.0000     0.0000   64.220  15.375  ?       ?       0.000000       15.37511 
1 1 1 -11 26  29 o 53.918  7.4031  378.090    94.296   237.708    226.478  407.528    103.713  41.190  15.932  55.768  7.8842  -14.57835      17.77578 
1 1 1 -11 26  30 o 53.292  5.5700  359.814    70.961   361.345    110.742  358.747    92.430   51.648  9.1729  52.349  7.4903  -0.7016792     11.84255 
1 1 1 -11 26  31 o 15.242  6.7315  -10.1960   48.840   -20.5917   83.768   -4.8422    60.115   19.404  8.6775  17.315  7.5629  2.088938       11.51075 
1 1 1 -11 26  32 o 32.137  7.5079  139.083    57.489   31.919     91.017   210.214    74.153   23.154  9.6817  39.450  8.0199  -16.29645      12.57195 
1 1 1 -11 26  33 o 16.433  7.4290  -24.8130   63.294   21.987     232.985  -28.5422   65.768   31.636  14.282  16.570  7.5239  15.06601       16.14291 
1 1 1 -11 26  34 o 25.000  8.1005  82.191     56.123   38.584     96.760   104.299    68.897   23.947  9.9953  27.796  8.9719  -3.849012      13.43133 
1 1 1 -11 26  35 o 39.724  10.818  230.500    107.085  0.0000     0.0000   230.500    107.085  ?       ?       39.724  10.818  0.000000       10.81789 
1 1 1 -11 26  36 o 19.658  8.6287  -3.7206    79.106   0.0000     0.0000   -3.7206    79.106   ?       ?       19.658  8.6287  0.000000       8.628673 
1 1 1 -11 26  37 o 30.339  8.8639  127.294    69.344   219.051    103.900  53.593     93.118   38.808  10.692  24.648  9.9936  14.15998       14.63538 
1 1 1 -11 26  38 o 36.362  10.687  192.748    100.543  208.130    108.583  100.277    266.238  37.553  11.126  34.918  15.553  2.635010       19.12276 
1 1 1 -11 26  39 o 26.376  9.7431  86.791     82.448   64.218     86.837   293.295    262.649  24.796  9.7846  41.162  16.749  -16.36571      19.39758 
1 1 1 -11 27  1  o 58.260  6.5273  419.660    90.685   331.205    148.257  472.540    114.631  50.665  12.205  61.627  7.8437  -10.96243      14.50793 
1 1 1 -11 27  2  f 79.329  5.8689  771.916    112.165  868.872    180.238  710.633    143.294  83.604  9.0283  75.747  7.9133  7.856735       12.00541 
1 1 1 -11 27  3  o 51.316  4.6731  323.288    57.549   371.611    77.933   265.335    85.346   54.864  5.9496  45.882  7.9544  8.982010       9.933255 
1 1 1 -11 27  4  o 182.491 4.7679  4056.54    211.122  3893.17    296.066  4225.55    301.143  178.401 6.8395  185.897 6.6763  -7.495590      9.557848 
1 1 1 -11 27  5  o 126.524 4.1453  1948.34    127.259  1876.58    178.560  2022.41    181.418  123.966 5.9363  128.710 5.8091  -4.744049      8.305733 
1 1 1 -11 27  6  o 32.318  6.2608  131.978    47.322   150.652    66.969   113.354    66.880   34.338  8.1584  30.024  8.6858  4.313461       11.91649 
1 1 1 -11 27  7  o 93.541  4.0085  1065.14    90.981   1044.90    127.945  1085.84    129.401  92.311  5.7407  94.116  5.6932  -1.805336      8.085052 
1 1 1 -11 27  8  f 99.296  4.0737  1200.72    98.148   1227.35    137.741  1173.24    139.889  100.053 5.6973  97.774  5.9245  2.279404       8.219432 
1 1 1 -11 27  9  o 89.839  4.0491  983.211    88.264   1060.11    124.919  906.543    124.730  92.955  5.5641  85.847  6.0261  7.107857       8.202021 
1 1 1 -11 27  10 o 28.354  6.9321  102.720    47.292   142.669    63.410   52.646     70.993   33.348  7.9489  23.876  8.9969  9.471907       12.00538 
1 1 1 -11 27  11 o 80.525  4.0996  792.744    79.837   820.191    111.435  763.799    114.437  81.633  5.6609  78.684  6.0401  2.949158       8.278182 
1 1 1 -11 27  12 o 41.399  5.1983  213.039    51.067   272.215    69.622   144.127    75.130   46.647  6.3133  33.442  9.0420  13.20517       11.02800 
1 1 1 -11 27  13 o 43.444  5.3112  234.732    54.820   261.035    74.901   204.386    80.452   45.466  7.0152  39.773  8.5880  5.693386       11.08902 
1 1 1 -11 27  14 o 32.472  6.3960  134.448    48.602   107.595    67.080   164.123    70.517   29.142  8.7699  35.587  8.3162  -6.444941      12.08599 
1 1 1 -11 27  15 o 96.986  4.1717  1150.30    98.171   1127.46    137.491  1174.05    140.218  95.447  5.9667  97.408  5.9613  -1.960953      8.434340 
1 1 1 -11 27  16 o 154.736 4.5693  2935.28    171.555  2855.74    241.592  3016.20    243.653  151.790 6.5595  156.059 6.4346  -4.268463      9.188638 
1 1 1 -11 27  17 o 111.539 4.2463  1524.24    114.922  1489.26    161.101  1560.48    163.986  109.531 6.0857  112.142 6.0490  -2.610931      8.580600 
1 1 1 -11 27  18 o 83.229  5.9556  862.058    119.476  831.049    142.585  935.150    218.909  81.195  7.3160  84.308  10.960  -3.112846      13.17782 
1 1 1 -11 27  19 o 110.004 6.0781  1506.47    161.604  1472.72    199.109  1571.62    276.642  107.965 7.6500  109.658 10.527  -1.692398      13.01275 
1 1 1 -11 27  20 o 63.431  6.3306  505.643    96.132   507.267    111.110  500.809    191.713  63.145  7.3918  59.751  13.537  3.393726       15.42353 
1 1 1 -11 27  21 o 32.254  8.7495  137.357    70.211   116.682    78.772   217.274    154.869  30.136  9.5793  40.187  13.475  -10.05140      16.53303 
1 1 1 -11 27  22 o 93.757  4.3832  1081.12    99.715   1115.33    142.018  1047.85    140.039  94.389  6.2361  91.424  6.3523  2.964760       8.901724 
1 1 1 -11 27  23 f 55.316  5.5808  383.415    73.882   495.297    98.985   242.682    111.016  62.564  6.6211  42.145  10.805  20.41954       12.67255 
1 1 1 -11 27  24 f 49.552  5.8250  309.676    68.700   311.365    93.837   307.725    100.855  48.816  8.2140  48.220  8.9494  0.5955086      12.14751 
1 1 1 -11 27  25 o 104.124 4.7129  1339.92    119.070  1328.50    160.365  1353.96    177.756  102.669 6.4704  103.236 7.1401  -0.5668869     9.635735 
1 1 1 -11 27  26 o 69.539  6.5340  614.049    108.956  633.755    220.971  607.719    125.239  65.598  14.288  68.621  7.6520  -3.023834      16.20763 
1 1 1 -11 27  27 o 31.795  13.322  77.428     172.830  77.428     172.830  0.0000     0.0000   31.795  13.322  ?       ?       0.000000       13.32175 
1 1 1 -11 27  28 o 20.568  7.9317  39.791     56.006   -30.9855   169.829  48.428     59.324   26.988  12.188  21.737  8.2164  5.250336       14.69868 
1 1 1 -11 27  29 o 38.903  6.7605  197.925    61.499   227.951    99.037   179.080    78.459   40.291  10.139  36.111  8.9895  4.180168       13.54999 
1 1 1 -11 27  30 o 56.181  5.6672  401.658    76.199   487.770    117.247  338.693    100.259  60.531  8.1934  50.093  8.5558  10.43811       11.84625 
1 1 1 -11 27  31 o 16.511  6.7941  14.788     43.828   -20.5354   74.379   33.577     54.246   18.169  8.1472  19.624  7.7367  -1.455364      11.23541 
1 1 1 -11 27  32 o 51.103  7.0194  343.408    84.740   358.002    217.130  340.786    92.039   45.601  15.935  50.487  7.7618  -4.885731      17.72514 
1 1 1 -11 27  33 o 57.728  5.2008  422.888    72.066   327.370    109.108  496.806    95.982   48.227  9.6607  61.880  6.4891  -13.65305      11.63778 
1 1 1 -11 27  34 o 21.878  9.7129  -7.5845    102.986  -68.9565   184.449  20.214     124.138  26.018  12.096  25.020  10.900  0.9980602      16.28222 
1 1 1 -11 27  35 o 21.287  9.5386  -17.6626   101.755  0.0000     0.0000   -17.6626   101.755  ?       ?       21.287  9.5386  0.000000       9.538586 
1 1 1 -11 27  36 o 33.804  10.432  164.125    94.127   166.515    100.717  147.634    264.565  33.964  10.836  36.387  15.880  -2.422626      19.22477 
1 1 1 -11 27  37 o 43.510  9.9878  271.436    103.214  271.333    111.048  272.096    279.767  43.044  10.683  40.678  16.989  2.365685       20.06833 
1 1 1 -11 27  38 o 58.189  8.4301  462.806    115.557  431.964    125.554  633.666    295.515  55.201  9.7295  55.520  18.614  -0.3191147     21.00337 
1 1 1 -11 28  1  o 199.043 4.9901  4828.03    241.001  4673.97    337.110  4989.07    344.670  195.393 7.1105  201.891 7.0360  -6.498001      10.00318 
1 1 1 -11 28  2  o 195.262 4.9695  4646.96    235.445  4598.39    329.315  4697.74    336.750  193.800 7.0032  195.861 7.0859  -2.061325      9.962631 
1 1 1 -11 28  3  f 122.458 4.1215  1825.37    122.465  1659.95    170.279  2002.61    176.258  116.402 6.0497  128.077 5.6717  -11.67451      8.292638 
1 1 1 -11 28  4  o 162.057 4.5622  3199.82    179.391  3200.79    250.997  3198.81    256.486  161.748 6.3954  161.667 6.5385  0.8056641E-01  9.146185 
1 1 1 -11 28  5  o 68.179  4.1361  568.118    68.099   535.165    94.638   603.503    98.068   65.893  5.9844  70.033  5.8239  -4.139816      8.350508 
1 1 1 -11 28  6  o 11.477  5.2860  -26.3621   34.022   76.870     45.099   -162.7030  51.829   24.748  7.1248  9.6268  4.8469  15.12113       8.617165 
1 1 1 -11 28  7  o 50.050  4.7696  308.409    57.222   300.049    80.809   316.817    81.039   48.947  7.0038  50.363  6.8059  -1.416004      9.765967 
1 1 1 -11 28  8  o 81.271  3.9915  804.911    78.712   731.774    110.004  881.641    112.674  77.063  5.9285  84.711  5.5118  -7.647804      8.094856 
1 1 1 -11 28  9  f 175.976 4.7220  3782.93    201.625  3740.89    283.539  3825.93    286.771  174.391 6.7008  176.362 6.7014  -1.970688      9.476769 
1 1 1 -11 28  10 f 95.537  4.0607  1113.56    94.133   1213.64    132.561  1011.77    133.694  99.354  5.5205  90.546  6.1212  8.808456       8.242904 
1 1 1 -11 28  11 f 57.237  4.4526  402.773    61.351   416.982    85.578   387.747    88.000   57.896  6.1877  55.699  6.6423  2.196766       9.077831 
1 1 1 -11 28  12 o 35.534  5.8040  159.182    48.315   194.618    65.422   116.669    71.658   39.060  7.1670  30.281  9.0533  8.778875       11.54679 
1 1 1 -11 28  13 o 97.712  4.1334  1167.32    97.999   1166.04    136.798  1168.66    140.458  97.122  5.8320  97.183  5.9856  -0.6145477E-01 8.357012 
1 1 1 -11 28  14 o 52.330  4.6893  338.454    58.910   316.903    81.015   362.634    85.814   50.099  6.8436  53.679  6.7370  -3.579834      9.603196 
1 1 1 -11 28  15 o 31.132  6.3892  124.351    46.646   146.704    62.978   97.187     69.427   33.573  7.8682  27.941  9.0050  5.631756       11.95821 
1 1 1 -11 28  16 o 35.723  6.0504  162.210    50.572   204.934    67.729   108.374    76.028   39.922  7.2594  29.329  9.4203  10.59282       11.89290 
1 1 1 -11 28  17 o 22.819  8.3412  55.134     60.190   73.103     67.659   -13.0410   131.789  25.232  8.8902  25.391  11.141  -0.1588230     14.25350 
1 1 1 -11 28  18 o 63.018  6.2970  498.970    94.998   574.006    109.900  277.206    188.934  67.443  6.8090  44.703  14.882  22.74070       16.36584 
1 1 1 -11 28  19 o 58.561  6.4943  432.996    90.726   464.885    104.136  332.551    184.817  60.424  7.2474  48.216  14.567  12.20802       16.27071 
1 1 1 -11 28  20 o 16.212  6.6165  13.593     41.143   38.278     53.002   -23.8330   65.263   20.314  7.7450  17.086  7.6488  3.227695       10.88531 
1 1 1 -11 28  21 o 65.335  5.1295  531.091    80.664   537.973    115.159  524.463    113.022  64.888  7.4493  64.077  7.4058  0.8111725      10.50416 
1 1 1 -11 28  22 o 24.833  8.0523  77.146     55.450   140.866    76.941   8.2850     79.984   32.525  9.2885  20.981  8.9386  11.54421       12.89088 
1 1 1 -11 28  23 f 38.813  7.0060  195.288    63.551   155.698    84.430   247.040    96.530   34.015  9.7357  42.810  9.5372  -8.795292      13.62875 
1 1 1 -11 28  24 o 42.085  6.5529  227.628    64.738   158.635    85.811   318.769    98.627   34.225  9.8206  49.100  8.5914  -14.87548      13.04827 
1 1 1 -11 28  25 o 76.778  7.5665  760.096    139.126  0.0000     0.0000   760.096    139.126  ?       ?       76.778  7.5665  0.000000       7.566451 
1 1 1 -11 28  26 o 30.006  12.890  45.590     168.823  45.590     168.823  0.0000     0.0000   30.006  12.890  ?       ?       0.000000       12.88977 
1 1 1 -11 28  27 o 36.945  14.360  179.339    184.679  179.339    184.679  0.0000     0.0000   36.945  14.360  ?       ?       0.000000       14.35953 
1 1 1 -11 28  28 o 61.258  5.3654  474.204    78.946   507.963    120.617  448.903    104.420  61.821  8.2466  58.486  7.5333  3.335030       11.16947 
1 1 1 -11 28  29 o 68.366  5.0766  588.774    83.612   706.714    122.676  486.460    114.261  73.803  6.9317  60.495  7.9789  13.30814       10.56942 
1 1 1 -11 28  30 o 42.889  6.3111  239.506    63.714   146.710    104.403  294.576    80.428   32.341  11.063  47.163  7.2610  -14.82267      13.23276 
1 1 1 -11 28  31 o 71.844  6.4338  667.891    110.968  583.764    249.139  688.711    123.941  56.968  16.846  72.449  7.1435  -15.48070      18.29827 
1 1 1 -11 28  32 o 31.698  7.5926  136.942    57.627   85.046     89.714   173.395    75.190   26.652  10.097  35.193  8.8221  -8.541512      13.40798 
1 1 1 -11 28  33 o 14.538  7.1798  -181.7081  92.160   -177.2962  161.624  -183.8337  112.185  21.439  10.344  16.730  8.1945  4.708652       13.19671 
1 1 1 -11 28  34 o 24.396  10.338  35.631     106.007  0.0000     0.0000   35.631     106.007  ?       ?       24.396  10.338  0.000000       10.33818 
1 1 1 -11 28  35 o 57.586  8.6746  453.349    117.447  348.124    128.275  998.903    292.078  48.594  11.120  76.605  16.219  -28.01044      19.66484 
1 1 1 -11 28  36 o 31.026  10.429  136.005    92.762   132.260    98.950   163.172    266.497  30.773  10.757  36.448  15.922  -5.674408      19.21507 
1 1 1 -11 28  37 o 20.389  8.3998  29.256     67.090   -3.1399    82.014   94.786     116.644  19.817  8.7391  28.393  11.297  -8.576084      14.28263 
1 1 1 -11 29  1  o 41.641  5.4088  215.144    53.360   190.097    73.092   243.726    78.080   38.624  8.0598  43.951  7.5963  -5.327564      11.07541 
1 1 1 -11 29  2  o 155.678 5.1042  2957.12    192.805  2928.63    314.756  2974.23    243.925  153.942 8.4591  155.863 6.4498  -1.921539      10.63750 
1 1 1 -11 29  3  o 35.153  6.0425  155.375    49.682   165.850    67.359   142.878    73.575   36.027  7.9212  33.426  8.9096  2.600552       11.92167 
1 1 1 -11 29  4  f 136.736 4.3018  2278.74    142.725  2192.17    199.557  2369.39    204.210  133.794 6.1471  139.117 6.0497  -5.323349      8.624674 
1 1 1 -11 29  5  o 149.567 4.3896  2728.08    159.302  2721.91    222.810  2734.54    227.849  149.025 6.1619  149.339 6.2880  -0.3142548     8.803801 
1 1 1 -11 29  6  o 126.143 4.1764  1940.28    127.829  1974.43    179.847  1905.42    181.723  126.941 5.8390  124.667 6.0075  2.274017       8.377582 
1 1 1 -11 29  7  o 107.276 4.0889  1403.60    106.432  1394.14    149.033  1413.44    152.047  106.478 5.7902  107.196 5.8680  -0.7178497     8.243752 
1 1 1 -11 29  8  o 30.563  6.4250  119.154    46.135   40.009     65.178   198.622    65.312   22.070  8.5438  39.553  7.0645  -17.48288      11.08621 
1 1 1 -11 29  9  o 110.201 4.0789  1482.69    109.068  1484.78    152.501  1480.50    156.051  109.795 5.7443  109.593 5.8900  0.2009583      8.227336 
1 1 1 -11 29  10 o 146.439 4.4106  2622.75    156.718  2667.66    220.889  2577.23    222.385  147.114 6.1881  144.543 6.3408  2.571793       8.859919 
1 1 1 -11 29  11 o 127.456 4.2563  1987.16    131.631  2127.09    185.298  1844.61    187.023  131.402 5.8117  122.037 6.3378  9.365295       8.599014 
1 1 1 -11 29  12 o 46.045  4.9266  263.180    54.188   320.489    74.587   199.118    78.859   50.557  6.2109  39.097  8.5508  11.45939       10.56839 
1 1 1 -11 29  13 o 64.672  4.3556  514.869    67.951   463.290    93.684   572.125    98.705   60.799  6.4490  67.746  6.0691  -6.947178      8.855671 
1 1 1 -11 29  14 f 21.431  7.0643  55.169     42.610   67.027     56.917   40.051     64.269   23.884  8.1682  21.792  8.4707  2.091642       11.76744 
1 1 1 -11 29  15 o 40.752  7.5542  214.652    71.947   233.812    84.356   163.522    137.806  42.272  8.5187  36.164  12.692  6.108006       15.28566 
1 1 1 -11 29  16 o 98.816  5.8939  1216.02    140.673  1261.47    175.908  1135.40    234.297  99.971  7.3023  92.873  10.586  7.098877       12.86057 
1 1 1 -11 29  17 o 38.078  7.7389  189.228    69.064   181.500    79.287   213.535    140.613  36.960  8.9388  39.688  12.818  -2.728081      15.62700 
1 1 1 -11 29  18 o 61.328  6.3602  474.320    93.268   567.523    107.398  188.367    188.118  67.006  6.6953  39.047  14.659  27.95897       16.11532 
1 1 1 -11 29  19 o 49.070  5.1204  300.918    60.068   345.635    81.300   247.163    89.137   52.164  6.5690  43.209  8.8008  8.954437       10.98208 
1 1 1 -11 29  20 o 13.553  6.2869  -39.9458   49.402   -35.6534   79.468   -42.6495   63.069   18.375  8.3141  15.672  7.2101  2.703313       11.00497 
1 1 1 -11 29  21 o 91.149  4.5518  1025.10    100.669  1072.69    141.701  976.614    143.044  92.310  6.3654  87.856  6.7621  4.454056       9.286810 
1 1 1 -11 29  22 o 56.580  5.5078  402.056    74.656   464.461    101.184  327.493    110.602  60.228  7.0577  49.344  9.5831  10.88387       11.90160 
1 1 1 -11 29  23 o 54.484  7.9316  387.555    101.777  224.905    194.376  448.993    119.463  40.415  14.954  58.313  8.7102  -17.89812      17.30545 
1 1 1 -11 29  24 f 59.863  6.7535  459.522    96.382   352.164    195.093  494.184    110.855  47.836  15.061  61.698  7.5633  -13.86143      16.85365 
1 1 1 -11 29  25 o 64.567  14.738  640.200    225.814  640.200    225.814  0.0000     0.0000   64.567  14.738  ?       ?       0.000000       14.73841 
1 1 1 -11 29  26 o 87.518  6.6373  981.843    139.898  981.843    139.898  0.0000     0.0000   87.518  6.6373  ?       ?       0.000000       6.637318 
1 1 1 -11 29  27 o 104.689 4.8005  1368.24    121.942  1514.56    174.714  1229.26    170.277  108.565 6.6647  97.257  7.2681  11.30762       9.861176 
1 1 1 -11 29  28 o 85.807  4.9399  925.420    102.416  1046.74    149.142  817.157    140.887  89.834  6.8948  78.897  7.4476  10.93691       10.14910 
1 1 1 -11 29  29 o 70.322  5.0980  625.235    86.397   731.758    127.002  533.471    117.875  74.748  7.0871  63.215  7.8542  11.53373       10.57901 
1 1 1 -11 29  30 o 73.424  5.1027  682.439    90.343   807.701    134.123  578.406    122.230  78.412  7.1273  65.771  7.8120  12.64110       10.57476 
1 1 1 -11 29  31 o 45.844  6.5893  276.210    71.190   260.249    116.563  285.706    89.906   41.646  11.264  45.585  8.4392  -3.938766      14.07441 
1 1 1 -11 29  32 o 44.896  7.4980  270.821    78.800   274.119    104.252  266.427    120.353  43.581  10.062  41.984  11.483  1.597271       15.26799 
1 1 1 -11 29  33 o 25.964  10.708  59.531     109.172  0.0000     0.0000   59.531     109.172  ?       ?       25.964  10.708  0.000000       10.70794 
1 1 1 -11 29  34 o 27.144  10.153  91.786     90.081   115.978    96.030   -85.5074   259.970  29.347  10.564  29.509  13.922  -0.1626244     17.47635 
1 1 1 -11 29  35 o 45.441  11.177  309.590    122.379  309.590    122.379  0.0000     0.0000   45.441  11.177  ?       ?       0.000000       11.17663 
1 1 1 -11 29  36 o 16.244  7.4403  -32.4684   66.154   11.581     82.515   -111.7204  110.679  20.682  8.9483  18.374  8.7866  2.307699       12.54097 
1 1 1 -11 30  1  o 75.277  4.2274  692.713    76.902   707.505    105.093  675.661    112.831  75.837  5.7541  73.989  6.3463  1.848114       8.566481 
1 1 1 -11 30  2  o 59.356  4.4081  431.991    63.034   441.005    86.525   421.798    92.014   59.700  6.0569  58.259  6.6271  1.441307       8.978041 
1 1 1 -11 30  3  o 123.960 4.2098  1873.73    126.623  1914.23    176.610  1830.89    181.640  125.004 5.8228  122.034 6.1541  2.969994       8.472189 
1 1 1 -11 30  4  o 187.735 4.9194  4307.86    224.089  4353.06    313.738  4260.77    320.178  188.054 6.8758  185.962 7.0958  2.091217       9.880637 
1 1 1 -11 30  5  o 78.443  4.0925  752.703    77.624   672.322    107.039  841.866    112.735  73.758  6.0337  82.675  5.6537  -8.916367      8.268642 
1 1 1 -11 30  6  o 119.998 4.1917  1758.07    122.048  1755.42    171.050  1760.82    174.195  119.538 5.8973  119.544 6.0248  -0.6088257E-02 8.430666 
1 1 1 -11 30  7  o 64.975  4.2280  517.924    66.294   435.299    92.609   604.763    94.941   59.054  6.5747  69.948  5.6419  -10.89394      8.663535 
1 1 1 -11 30  8  o 37.232  5.6343  174.130    49.309   195.000    69.657   153.168    69.812   38.975  7.6388  34.350  8.4372  4.625130       11.38142 
1 1 1 -11 30  9  f 109.380 4.1118  1462.86    109.126  1393.56    153.162  1534.32    155.519  106.140 5.9714  111.457 5.7704  -5.316673      8.303896 
1 1 1 -11 30  10 o 71.473  4.1562  627.210    71.766   647.224    100.227  606.151    102.807  72.218  5.7679  69.771  6.1351  2.446327       8.420652 
1 1 1 -11 30  11 o 75.845  4.1504  706.501    76.090   655.775    106.309  759.783    108.955  72.548  6.0957  78.224  5.7814  -5.675911      8.401290 
1 1 1 -11 30  12 o 19.713  6.9955  42.564     41.966   62.417     55.925   16.979     63.488   23.288  8.0902  19.734  8.1547  3.554062       11.48695 
1 1 1 -11 30  13 o 41.805  7.2270  224.610    70.655   253.984    81.830   138.560    140.057  44.298  7.9030  34.515  12.708  9.783047       14.96458 
1 1 1 -11 30  14 o 28.871  8.2253  108.579    60.409   128.074    68.646   41.654     127.189  31.221  8.7241  27.658  11.495  3.563505       14.43047 
1 1 1 -11 30  15 o 98.100  5.9213  1200.54    140.284  1198.83    173.620  1203.74    238.095  97.281  7.4112  95.554  10.439  1.727264       12.80233 
1 1 1 -11 30  16 o 65.186  6.2172  534.642    97.145   557.310    116.578  483.136    175.727  66.090  7.3966  58.815  12.686  7.274414       14.68515 
1 1 1 -11 30  17 o 35.706  6.0153  162.935    50.263   100.247    67.864   239.105    74.807   27.977  8.8912  42.948  7.4485  -14.97039      11.59886 
1 1 1 -11 30  18 o 66.800  4.9966  554.949    80.401   608.231    115.640  505.093    111.862  69.171  6.9857  62.759  7.4940  6.411873       10.24502 
1 1 1 -11 30  19 o 57.929  5.3265  419.879    74.030   433.679    103.606  405.483    105.818  58.031  7.5359  55.867  8.0375  2.164059       11.01777 
1 1 1 -11 30  20 o 70.416  4.9000  616.830    83.199   603.556    115.835  630.976    119.578  68.760  7.0423  70.285  7.1095  -1.524811      10.00694 
1 1 1 -11 30  21 o 27.409  8.2218  98.473     59.027   120.064    89.897   82.109     78.261   30.480  10.266  26.466  9.5359  4.013895       14.01171 
1 1 1 -11 30  22 o 60.410  7.4027  472.255    106.237  359.215    193.873  520.764    127.002  48.433  14.976  62.850  8.5499  -14.41679      17.24467 
1 1 1 -11 30  23 o 45.677  8.3956  278.739    89.621   184.456    185.989  307.251    102.278  37.459  14.452  47.608  9.1868  -10.14920      17.12450 
1 1 1 -11 30  24 o 32.850  13.492  109.724    172.438  109.724    172.438  0.0000     0.0000   32.850  13.492  ?       ?       0.000000       13.49198 
1 1 1 -11 30  25 o 38.222  9.8372  205.358    91.768   205.358    91.768   0.0000     0.0000   38.222  9.8372  ?       ?       0.000000       9.837201 
1 1 1 -11 30  26 o 43.935  6.4898  251.533    67.101   294.128    95.927   210.721    93.896   46.317  8.8585  38.511  9.9703  7.805630       13.33714 
1 1 1 -11 30  27 o 20.084  7.6272  41.651     51.273   -112.6225  88.467   119.686    62.919   16.032  7.7153  29.500  8.3909  -13.46844      11.39877 
1 1 1 -11 30  28 o 32.258  7.9637  143.160    61.957   95.340     99.306   173.638    79.280   27.875  10.608  35.020  9.2079  -7.145382      14.04664 
1 1 1 -11 30  29 o 54.434  5.8846  382.509    76.486   432.222    117.707  346.177    100.626  55.821  8.9962  50.138  8.5800  5.683361       12.43170 
1 1 1 -11 30  30 o 36.300  8.8218  185.662    76.939   274.425    101.587  66.250     117.828  43.674  9.8243  26.791  11.093  16.88319       14.81797 
1 1 1 -11 30  31 o 33.001  9.0714  154.557    74.889   199.261    100.281  98.189     112.605  36.679  10.643  28.517  11.177  8.161802       15.43369 
1 1 1 -11 30  32 o 28.951  11.206  104.372    112.099  0.0000     0.0000   104.372    112.099  ?       ?       28.951  11.206  0.000000       11.20554 
1 1 1 -11 30  33 o 27.704  10.227  99.247     90.811   116.801    98.315   -2.7550    236.995  29.386  10.673  30.318  13.959  -0.9321346     17.57160 
1 1 1 -11 30  34 o 31.577  11.288  142.971    109.462  142.971    109.462  0.0000     0.0000   31.577  11.288  ?       ?       0.000000       11.28819 
1 1 1 -11 30  35 o 15.910  7.3654  -41.4869   67.306   -8.6542    84.143   -99.8176   112.153  19.638  8.7455  18.837  8.9623  0.8010235      12.52226 
1 1 1 -11 31  1  o 135.303 4.3024  2233.80    141.247  2125.29    195.990  2351.06    203.742  131.585 6.1385  138.417 6.0663  -6.831635      8.630295 
1 1 1 -11 31  2  f 47.154  4.9466  274.859    55.754   188.576    75.760   376.796    82.346   38.267  8.3906  55.027  6.2799  -16.76057      10.48036 
1 1 1 -11 31  3  o 53.930  4.5981  358.030    59.595   326.037    81.208   395.367    87.729   51.013  6.7247  56.298  6.5444  -5.284916      9.383513 
1 1 1 -11 31  4  o 66.174  4.3215  537.293    69.008   468.546    95.018   614.031    100.388  61.328  6.4836  70.430  5.9295  -9.101715      8.786099 
1 1 1 -11 31  5  o 121.581 4.1837  1806.31    123.421  1801.75    172.878  1811.04    176.259  121.004 5.8881  121.285 5.9893  -0.2818222     8.398925 
1 1 1 -11 31  6  o 106.259 4.1462  1380.30    106.900  1397.89    149.295  1361.80    153.138  106.396 5.8050  104.934 6.0401  1.462425       8.377350 
1 1 1 -11 31  7  o 53.840  4.7010  358.017    60.797   312.499    83.678   408.913    88.484   49.677  7.1478  57.135  6.4982  -7.457214      9.660147 
1 1 1 -11 31  8  o 184.451 4.9155  4179.29    219.994  4142.68    309.053  4216.89    313.226  182.499 6.9793  184.105 7.0118  -1.606277      9.893182 
1 1 1 -11 31  9  o 127.666 4.2868  1997.64    132.792  1957.52    186.832  2038.61    188.775  125.715 6.1249  128.319 6.0630  -2.603867      8.618258 
1 1 1 -11 31  10 o 36.535  5.8397  169.086    50.025   105.114    70.476   234.045    71.017   28.774  9.0512  42.765  7.0925  -13.99154      11.49904 
1 1 1 -11 31  11 o 111.979 5.9293  1559.55    160.530  1456.30    200.851  1742.15    267.107  107.259 7.7701  116.157 9.5621  -8.897217      12.32104 
1 1 1 -11 31  12 o 15.368  6.8562  -18.4172   51.964   1.5160     58.668   -90.9864   111.941  17.832  7.6276  20.064  9.3596  -2.232632      12.07408 
1 1 1 -11 31  13 o 42.216  7.5344  230.969    74.347   211.683    86.848   283.870    143.837  39.857  9.1708  45.075  12.640  -5.217983      15.61657 
1 1 1 -11 31  14 o 48.680  6.7584  302.399    77.675   320.868    90.485   250.668    151.437  49.809  7.7381  42.353  13.259  7.456146       15.35181 
1 1 1 -11 31  15 f 35.411  7.3849  163.928    61.397   121.702    68.519   335.962    138.302  30.373  8.7930  49.165  11.753  -18.79155      14.67812 
1 1 1 -11 31  16 o 60.445  4.9726  454.953    72.283   420.398    109.460  481.675    96.257   56.873  8.1663  61.648  6.5346  -4.774761      10.45892 
1 1 1 -11 31  17 o 69.850  4.9230  606.684    82.903   657.488    116.465  554.501    118.036  71.983  6.7468  65.698  7.5412  6.285225       10.11877 
1 1 1 -11 31  18 o 49.719  5.9060  312.904    69.856   398.668    102.714  239.096    95.286   55.394  7.8626  42.018  9.5612  13.37600       12.37889 
1 1 1 -11 31  19 o 86.330  4.6782  924.854    97.629   912.225    137.613  937.651    138.528  84.726  6.7499  85.936  6.6964  -1.209717      9.508018 
1 1 1 -11 31  20 o 62.499  6.4525  497.625    96.443   313.348    202.333  551.802    109.708  45.445  15.401  65.575  7.0033  -20.13076      16.91888 
1 1 1 -11 31  21 o 101.063 6.5918  1300.02    160.760  1065.31    273.676  1423.66    198.643  85.258  13.693  104.751 7.8730  -19.49294      15.79476 
1 1 1 -11 31  22 o 50.854  7.6777  340.381    91.787   438.249    193.353  311.911    104.287  53.017  14.577  47.787  9.3289  5.229774       17.30674 
1 1 1 -11 31  23 o 22.721  9.2761  37.960     80.900   37.960     80.900   0.0000     0.0000   22.721  9.2761  ?       ?       0.000000       9.276098 
1 1 1 -11 31  24 o 60.912  7.8628  492.197    113.496  492.197    113.496  0.0000     0.0000   60.912  7.8628  ?       ?       0.000000       7.862750 
1 1 1 -11 31  25 o 27.470  8.1353  102.416    58.067   79.555     86.312   121.319    78.484   26.135  9.9029  29.691  9.5750  -3.555742      13.77488 
1 1 1 -11 31  26 o 46.006  6.4114  276.628    69.625   237.726    99.277   314.283    97.672   40.562  10.120  47.719  8.7584  -7.156403      13.38384 
1 1 1 -11 31  27 o 83.105  5.0410  874.141    101.170  900.240    145.303  849.584    140.949  82.479  7.3372  80.116  7.3320  2.362785       10.37269 
1 1 1 -11 31  28 o 28.305  8.5669  111.318    63.876   113.343    99.278   109.888    83.441   29.072  10.700  28.361  9.8803  0.7110748      14.56365 
1 1 1 -11 31  29 o 79.793  5.5564  815.017    106.905  756.901    143.538  887.414    160.206  74.814  8.0329  80.790  8.2900  -5.975403      11.54346 
1 1 1 -11 31  30 o 73.100  5.9159  689.222    104.030  546.297    136.774  885.388    160.237  62.403  9.3185  80.694  8.3023  -18.29094      12.48051 
1 1 1 -11 31  31 o 78.486  8.9663  851.486    167.689  0.0000     0.0000   851.486    167.689  ?       ?       78.486  8.9663  0.000000       8.966258 
1 1 1 -11 31  32 o 71.590  8.0736  694.390    137.795  722.969    154.228  581.312    306.779  72.181  9.0015  51.679  18.840  20.50285       20.88015 
1 1 1 -11 31  33 o 36.584  11.573  206.460    115.074  206.460    115.074  0.0000     0.0000   36.584  11.573  ?       ?       0.000000       11.57269 
1 1 1 -11 31  34 o 59.128  6.4825  461.032    91.479   515.626    115.242  368.026    150.415  61.414  7.9179  47.433  12.781  13.98147       15.03483 
1 1 1 -11 32  1  o 80.848  4.1481  800.330    81.099   815.688    111.621  783.159    118.029  81.296  5.6946  79.534  6.1642  1.762192       8.391997 
1 1 1 -11 32  2  o 85.657  4.1298  896.389    85.834   900.503    117.350  891.656    125.874  85.404  5.6956  84.858  6.1552  0.5452805      8.386082 
1 1 1 -11 32  3  o 37.135  5.5391  173.115    48.383   168.580    64.424   178.982    73.275   36.181  7.5811  37.150  8.3341  -0.9688454     11.26631 
1 1 1 -11 32  4  o 62.024  4.3524  473.119    65.087   423.247    88.459   531.993    96.111   58.186  6.3696  65.372  6.1308  -7.186649      8.840757 
1 1 1 -11 32  5  o 72.841  4.2264  651.623    74.378   613.508    103.424  692.452    107.043  70.198  6.1336  74.659  5.9586  -4.461479      8.551369 
1 1 1 -11 32  6  o 71.250  4.2687  624.104    73.459   597.248    102.351  652.635    105.493  69.202  6.1599  72.392  6.0616  -3.190216      8.642207 
1 1 1 -11 32  7  o 81.883  4.1919  823.775    83.007   826.602    115.408  820.745    119.477  81.536  5.8727  81.164  6.1116  0.3721085      8.475880 
1 1 1 -11 32  8  o 24.206  6.9950  74.918     43.398   122.505    57.756   13.211     65.769   30.633  7.7612  19.715  8.2357  10.91767       11.31650 
1 1 1 -11 32  9  o 130.425 6.1493  2115.02    194.604  2116.50    246.762  2112.59    316.497  129.242 7.9069  127.233 10.341  2.008202       13.01782 
1 1 1 -11 32  10 o 69.491  6.0575  605.013    101.117  598.533    121.901  619.307    181.051  68.571  7.4463  67.749  11.420  0.8216400      13.63299 
1 1 1 -11 32  11 o 46.066  7.1660  272.688    77.495   337.522    91.030   101.994    147.705  51.205  7.5536  32.349  12.762  18.85594       14.83013 
1 1 1 -11 32  12 o 18.407  7.5977  15.723     55.020   32.811     62.080   -46.8414   118.788  20.769  8.2484  22.435  10.157  -1.666224      13.08426 
1 1 1 -11 32  13 o 48.585  6.8116  302.060    78.093   331.507    90.868   218.861    152.736  50.621  7.6355  39.892  13.382  10.72840       15.40702 
1 1 1 -11 32  14 o 32.390  6.2550  135.455    47.379   107.162    65.514   166.475    68.599   28.632  8.6783  35.433  8.1489  -6.801643      11.90453 
1 1 1 -11 32  15 o 56.199  5.2509  395.302    70.772   355.257    106.363  427.116    94.804   51.867  8.7638  57.819  6.8935  -5.952141      11.15016 
1 1 1 -11 32  16 o 68.632  4.8206  585.867    79.768   584.528    115.608  587.082    110.202  67.573  7.1601  67.903  6.7792  -0.3301239     9.860254 
1 1 1 -11 32  17 o 39.008  6.9301  197.771    63.191   161.630    95.298   226.131    84.419   34.445  10.473  41.077  8.7384  -6.632107      13.63947 
1 1 1 -11 32  18 o 59.339  5.1849  441.426    73.903   504.547    106.651  383.121    102.502  62.604  7.1492  54.031  8.0655  8.572502       10.77792 
1 1 1 -11 32  19 o 53.663  7.5463  375.783    95.545   115.321    189.044  465.140    110.728  34.185  14.094  59.635  7.8425  -25.44966      16.12874 
1 1 1 -11 32  20 o 57.675  7.6254  435.496    104.094  543.233    197.952  394.317    122.382  59.924  13.886  53.633  9.7639  6.290916       16.97508 
1 1 1 -11 32  21 o 14.219  6.5958  -40.9980   54.376   -133.5123  151.158  -27.2466   58.277   22.040  10.462  15.615  7.0872  6.425076       12.63692 
1 1 1 -11 32  22 o 37.296  10.297  198.408    96.248   198.408    96.248   0.0000     0.0000   37.296  10.297  ?       ?       0.000000       10.29712 
1 1 1 -11 32  23 o 38.150  9.9295  207.601    92.806   207.601    92.806   0.0000     0.0000   38.150  9.9295  ?       ?       0.000000       9.929544 
1 1 1 -11 32  24 o 57.030  5.5731  415.966    76.134   518.265    108.451  316.564    106.905  62.646  7.2698  47.342  9.6342  15.30404       12.06928 
1 1 1 -11 32  25 o 76.846  5.0534  747.928    93.699   771.398    130.753  723.153    134.342  76.497  7.1264  73.630  7.6304  2.867790       10.44067 
1 1 1 -11 32  26 o 57.464  5.5796  424.426    76.816   519.263    109.868  333.733    107.442  62.350  7.4072  48.438  9.4811  13.91231       12.03157 
1 1 1 -11 32  27 o 15.283  6.8160  -12.5427   51.307   -81.7781   92.657   18.074     61.616   17.422  8.2472  18.896  7.9375  -1.473509      11.44638 
1 1 1 -11 32  28 o 79.584  5.7879  815.933    111.000  725.121    148.245  931.815    167.463  72.554  8.5875  82.419  8.4957  -9.865097      12.07981 
1 1 1 -11 32  29 o 36.764  8.8390  191.931    77.877   133.530    99.972   282.069    124.199  30.596  10.804  42.665  11.663  -12.06875      15.89822 
1 1 1 -11 32  30 o 29.367  11.764  105.048    127.368  0.0000     0.0000   105.048    127.368  ?       ?       29.367  11.764  0.000000       11.76445 
1 1 1 -11 32  31 o 68.692  8.0887  642.512    132.235  668.482    148.538  543.306    290.316  69.151  9.0716  50.142  18.320  19.00820       20.44342 
1 1 1 -11 32  32 o 17.056  8.1127  -87.3994   91.781   -87.3994   91.781   0.0000     0.0000   17.056  8.1127  ?       ?       0.000000       8.112741 
1 1 1 -11 32  33 o 29.544  9.5793  126.677    78.475   97.552     96.403   183.889    135.113  27.286  10.435  34.052  12.490  -6.765537      16.27530 
1 1 1 -11 33  1  o 63.540  4.3222  496.376    66.240   494.143    89.248   499.116    98.840   63.038  5.9037  63.184  6.5418  -0.1462212     8.811839 
1 1 1 -11 33  2  o 64.031  4.3446  504.386    67.100   485.303    90.859   527.280    99.520   62.389  6.0792  64.965  6.3964  -2.575401      8.824409 
1 1 1 -11 33  3  o 66.129  4.3508  538.161    69.421   537.549    93.246   538.921    103.979  65.701  5.9125  65.572  6.6262  0.1288834      8.880591 
1 1 1 -11 33  4  o 100.605 4.1349  1239.89    100.936  1176.40    140.383  1307.84    145.230  97.314  5.9742  102.672 5.8539  -5.357529      8.364154 
1 1 1 -11 33  5  o 59.236  4.4641  433.189    63.692   416.202    87.608   452.234    92.762   57.540  6.3825  59.975  6.4771  -2.435600      9.093347 
1 1 1 -11 33  6  o 83.889  4.1801  863.369    85.086   861.283    118.686  865.574    122.044  83.129  5.9229  83.276  6.0820  -0.1474152     8.489479 
1 1 1 -11 33  7  o 49.130  6.8122  307.224    79.023   272.546    93.637   393.043    147.304  45.543  8.7920  53.631  11.653  -8.088169      14.59752 
1 1 1 -11 33  8  f 104.613 5.9847  1366.01    151.282  1421.51    188.751  1266.31    252.974  105.956 7.3880  97.658  10.860  8.298180       13.13466 
1 1 1 -11 33  9  o 47.849  6.7709  292.412    76.416   197.046    89.030   559.246    148.923  38.271  9.6031  65.042  9.7358  -26.77061      13.67497 
1 1 1 -11 33  10 o 58.774  6.2589  436.458    87.885   401.671    103.546  526.080    166.200  55.720  7.8784  61.976  11.475  -6.256271      13.91888 
1 1 1 -11 33  11 o 46.141  6.9679  273.813    75.580   214.433    87.418   449.594    150.407  39.952  9.2068  57.225  11.233  -17.27263      14.52416 
1 1 1 -11 33  12 o 32.823  6.2606  139.139    48.041   98.111     67.727   180.689    68.156   27.653  8.8922  37.013  7.8332  -9.360310      11.85033 
1 1 1 -11 33  13 o 68.723  4.8317  587.350    80.057   573.868    112.249  601.307    114.211  67.039  7.0041  68.662  6.9511  -1.623032      9.867880 
1 1 1 -11 33  14 f 50.485  5.7184  321.990    68.813   336.665    101.089  309.319    93.937   50.471  8.5605  48.456  8.2874  2.015072       11.91480 
1 1 1 -11 33  15 o 29.388  8.1551  114.854    60.202   211.441    91.489   41.094     79.950   39.336  9.6567  23.136  9.3022  16.20066       13.40831 
1 1 1 -11 33  16 o 92.005  4.6305  1051.13    103.040  1085.37    147.937  1018.86    143.602  92.389  6.6435  89.491  6.6610  2.898743       9.407756 
1 1 1 -11 33  17 o 16.338  7.2423  -13.7851   57.045   -103.5443  144.646  2.7468     62.076   22.549  10.558  18.195  7.8163  4.354061       13.13658 
1 1 1 -11 33  18 o 15.212  6.9647  -33.7705   57.876   34.496     149.462  -45.8125   62.774   28.079  12.096  15.325  7.1011  12.75445       14.02640 
1 1 1 -11 33  19 o 74.915  6.5888  720.711    118.549  753.698    224.943  708.026    139.494  70.831  13.583  73.334  7.9676  -2.503624      15.74711 
1 1 1 -11 33  20 o 14.227  6.5443  -33.1810   51.930   -100.0188  82.460   10.749     66.852   15.761  7.5494  19.227  8.1812  -3.465779      11.13218 
1 1 1 -11 33  21 o 40.399  9.8409  231.776    95.573   231.776    95.573   0.0000     0.0000   40.399  9.8409  ?       ?       0.000000       9.840881 
1 1 1 -11 33  22 o 32.660  10.191  152.306    89.540   152.306    89.540   0.0000     0.0000   32.660  10.191  ?       ?       0.000000       10.19062 
1 1 1 -11 33  23 o 104.076 4.8248  1361.88    121.842  1336.93    169.317  1388.68    175.469  101.050 6.9478  102.857 7.0737  -1.807350      9.915113 
1 1 1 -11 33  24 o 58.532  5.6253  440.733    78.908   437.542    111.659  443.917    111.526  56.441  8.4102  56.925  8.3200  -0.4842148     11.83019 
1 1 1 -11 33  25 o 26.558  8.1218  97.222     57.201   149.611    85.750   55.221     76.779   32.037  9.9687  23.196  9.1854  8.841078       13.55535 
1 1 1 -11 33  26 o 16.515  7.5143  -26.4554   66.031   -8.9767    81.273   -60.3996   113.259  19.310  8.5978  20.282  9.4456  -0.9720135     12.77269 
1 1 1 -11 33  27 o 25.484  9.2758  83.920     74.321   34.681     96.216   156.761    117.026  23.199  9.8411  32.447  11.664  -9.248007      15.26091 
1 1 1 -11 33  28 o 40.849  8.6026  234.982    82.572   197.289    108.709  286.387    126.951  35.871  11.234  42.697  11.840  -6.825909      16.32202 
1 1 1 -11 33  29 o 38.983  16.111  269.912    247.861  0.0000     0.0000   269.912    247.861  ?       ?       38.983  16.111  0.000000       16.11090 
1 1 1 -11 33  30 o 37.729  15.891  243.052    248.005  0.0000     0.0000   243.052    248.005  ?       ?       37.729  15.891  0.000000       15.89062 
1 1 1 -11 33  31 o 18.231  8.2954  -26.4281   80.489   -16.9154   85.652   -98.2728   235.388  19.272  8.6839  27.106  12.921  -7.833124      15.56771 
1 1 1 -11 33  32 o 45.189  8.0386  285.360    84.910   236.929    108.726  361.078    135.947  38.837  11.025  47.438  11.846  -8.600872      16.18266 
1 1 1 -11 34  1  o 67.295  4.3728  557.752    71.014   517.963    96.107   605.599    105.392  64.341  6.2343  69.590  6.3102  -5.249153      8.870465 
1 1 1 -11 34  2  o 35.543  6.0063  160.646    49.954   202.025    66.570   107.316    75.574   39.628  7.1880  29.173  9.3945  10.45527       11.82894 
1 1 1 -11 34  3  o 47.878  5.0251  285.543    57.506   174.591    77.005   425.430    86.465   36.348  8.8207  58.192  6.2200  -21.84434      10.79324 
1 1 1 -11 34  4  o 95.352  4.1691  1116.05    96.458   1115.55    133.489  1116.59    139.535  94.635  5.8420  94.562  6.1141  0.7211304E-01  8.456417 
1 1 1 -11 34  5  o 93.418  5.9058  1089.09    133.178  1092.84    164.587  1081.99    226.658  92.871  7.3642  90.468  10.522  2.403168       12.84305 
1 1 1 -11 34  6  o 42.396  7.4194  232.845    73.543   241.621    86.242   209.452    140.801  42.787  8.6052  39.233  12.837  3.553680       15.45450 
1 1 1 -11 34  7  o 98.531  5.9366  1214.45    141.266  1189.52    175.041  1261.01    239.235  96.637  7.5243  97.591  10.256  -0.9542007     12.72044 
1 1 1 -11 34  8  o 37.781  7.6294  187.167    67.532   223.532    77.519   72.681     137.544  41.229  8.0378  29.845  12.130  11.38367       14.55107 
1 1 1 -11 34  9  o 70.111  6.0154  618.784    101.342  567.945    120.787  739.667    186.253  66.423  7.6331  74.037  10.676  -7.614098      13.12445 
1 1 1 -11 34  10 o 33.150  6.4014  142.338    49.626   148.905    67.380   134.552    73.364   33.401  8.3396  31.715  9.0745  1.685812       12.32455 
1 1 1 -11 34  11 o 18.712  7.4860  24.962     51.495   -0.4238    73.707   49.167     71.974   19.571  8.4625  23.084  8.9665  -3.512148      12.32926 
1 1 1 -11 34  12 o 44.541  5.9881  252.642    63.077   329.698    89.364   176.132    89.046   50.352  7.5470  35.889  9.9027  14.46288       12.45071 
1 1 1 -11 34  13 o 33.759  7.3651  150.496    58.633   161.166    89.000   142.314    77.936   34.341  10.044  32.442  9.3737  1.898338       13.73883 
1 1 1 -11 34  14 o 29.001  7.6821  111.900    54.918   104.677    85.670   116.939    71.554   28.794  10.013  29.626  9.0878  -0.8318520     13.52185 
1 1 1 -11 34  15 o 19.395  8.0274  19.349     61.664   341.795    150.688  -45.5070   67.581   48.229  12.701  16.078  7.4210  32.15137       14.71015 
1 1 1 -11 34  16 o 87.292  6.3238  970.139    133.034  1352.18    241.496  803.695    159.401  99.668  10.127  77.896  8.5756  21.77269       13.26986 
1 1 1 -11 34  17 o 22.996  8.7226  55.869     67.009   155.715    158.067  33.994     73.986   34.629  13.333  21.784  8.8796  12.84461       16.01941 
1 1 1 -11 34  18 f 54.637  7.3597  392.607    95.087   469.973    194.120  368.184    109.067  54.317  14.469  51.944  8.9783  2.373043       17.02844 
1 1 1 -11 34  19 o 40.199  6.6254  212.245    62.372   213.486    93.531   211.250    83.701   38.712  9.9140  38.946  9.0326  -0.2340240     13.41175 
1 1 1 -11 34  20 o 71.236  7.5895  672.989    129.162  672.989    129.162  0.0000     0.0000   71.236  7.5895  ?       ?       0.000000       7.589471 
1 1 1 -11 34  21 o 61.499  8.2974  514.004    120.655  514.004    120.655  0.0000     0.0000   61.499  8.2974  ?       ?       0.000000       8.297382 
1 1 1 -11 34  22 o 102.969 4.8118  1335.74    120.221  1278.72    169.708  1393.17    170.331  98.372  7.1590  103.048 6.8513  -4.675667      9.909182 
1 1 1 -11 34  23 o 34.987  7.7326  169.103    63.897   221.537    92.966   122.154    87.969   38.864  9.8467  29.390  10.150  9.474062       14.14157 
1 1 1 -11 34  24 o 26.634  8.2916  98.437     59.316   92.353     89.389   103.224    79.288   26.778  10.094  27.408  9.6267  -0.6297874     13.94882 
1 1 1 -11 34  25 o 25.265  8.9528  84.543     68.711   123.453    82.622   -2.7131    123.728  29.337  9.8423  23.366  10.491  5.970932       14.38488 
1 1 1 -11 34  26 o 29.707  9.3956  127.088    75.853   101.028    92.993   178.899    131.121  27.557  10.314  33.920  12.325  -6.363174      16.07082 
1 1 1 -11 34  27 o 17.853  8.0650  -20.7079   74.433   -64.7583   94.893   49.737     120.001  18.212  8.5350  25.614  10.931  -7.401745      13.86870 
1 1 1 -11 34  28 o 33.798  14.871  141.916    236.251  0.0000     0.0000   141.916    236.251  ?       ?       33.798  14.871  0.000000       14.87145 
1 1 1 -11 34  29 o 29.148  13.504  2.7709     226.866  0.0000     0.0000   2.7709     226.866  ?       ?       29.148  13.504  0.000000       13.50395 
1 1 1 -11 34  30 o 21.476  8.7252  41.949     71.137   37.760     89.515   49.129     117.195  22.644  9.5426  25.174  10.775  -2.530306      14.39296 
1 1 1 -11 34  31 o 42.539  8.6955  260.800    86.723   191.227    110.901  370.302    139.133  34.494  11.398  47.543  12.046  -13.04891      16.58405 
1 1 1 -11 35  1  o 42.725  5.3982  229.248    54.714   175.327    73.406   296.650    82.070   36.446  8.4630  48.106  7.2567  -11.65954      11.14823 
1 1 1 -11 35  2  o 109.321 6.0747  1492.75    160.500  1626.59    201.027  1257.43    266.555  113.391 7.3461  96.738  11.587  16.65305       13.71911 
1 1 1 -11 35  3  o 81.521  5.9632  831.958    117.136  779.085    141.538  946.886    208.676  78.149  7.5587  84.484  10.399  -6.334724      12.85604 
1 1 1 -11 35  4  o 33.693  7.9192  149.895    63.648   208.034    71.636   -68.0698   138.704  39.896  7.6787  23.547  10.781  16.34966       13.23612 
1 1 1 -11 35  5  o 20.175  7.7900  36.354     54.077   10.989     60.541   136.466    120.276  18.733  7.8685  33.075  11.832  -14.34207      14.20924 
1 1 1 -11 35  6  o 48.898  6.9676  307.327    80.330   389.586    94.711   96.460     151.640  55.026  7.2717  31.941  12.822  23.08576       14.74055 
1 1 1 -11 35  7  o 38.088  7.0963  189.003    63.170   208.058    70.918   115.812    138.987  39.822  7.6170  32.336  12.488  7.486710       14.62760 
1 1 1 -11 35  8  o 49.955  4.8535  311.954    58.087   297.213    78.885   329.414    85.850   48.011  6.9757  50.491  7.2124  -2.479504      10.03390 
1 1 1 -11 35  9  o 18.867  7.7648  18.705     57.259   -58.9922   86.975   78.141     76.070   18.144  8.3901  25.950  9.3937  -7.806240      12.59501 
1 1 1 -11 35  10 o 33.885  7.5618  152.095    60.595   224.687    87.576   85.426     83.927   40.756  9.0875  27.046  9.8551  13.70985       13.40547 
1 1 1 -11 35  11 o 52.702  5.5505  350.691    69.911   332.703    97.280   369.904    100.538  50.161  8.2817  53.052  8.0643  -2.890511      11.55940 
1 1 1 -11 35  12 o 36.236  7.2072  172.904    61.139   109.461    87.910   232.335    85.085   29.278  10.145  41.509  8.7250  -12.23059      13.38064 
1 1 1 -11 35  13 o 31.417  8.9374  133.964    71.376   51.933     155.799  155.754    80.298   29.369  12.493  33.686  9.4436  -4.316620      15.66065 
1 1 1 -11 35  14 o 25.008  8.9048  75.466     68.054   190.127    155.065  48.112     75.738   36.868  13.402  23.109  9.1318  13.75909       16.21708 
1 1 1 -11 35  15 o 39.866  8.5125  216.104    79.837   217.692    170.863  215.660    90.301   38.553  14.060  39.343  9.5546  -0.7901878     16.99885 
1 1 1 -11 35  16 o 15.429  7.0204  -28.1600   57.650   40.557     136.189  -43.1614   63.632   27.112  11.610  15.513  7.1744  11.59939       13.64790 
1 1 1 -11 35  17 o 41.950  6.5233  230.327    64.242   343.094    97.167   142.754    85.627   50.402  8.2293  31.878  9.9686  18.52398       12.92648 
1 1 1 -11 35  18 o 27.998  8.0577  107.228    57.691   151.117    84.941   69.647     78.601   32.578  9.8832  24.766  9.4343  7.812031       13.66321 
1 1 1 -11 35  19 o 57.644  7.9848  449.006    108.682  449.006    108.682  0.0000     0.0000   57.644  7.9848  ?       ?       0.000000       7.984779 
1 1 1 -11 35  20 o 45.328  9.9408  297.895    106.324  297.895    106.324  0.0000     0.0000   45.328  9.9408  ?       ?       0.000000       9.940750 
1 1 1 -11 35  21 o 77.713  5.0421  768.324    94.562   764.685    137.183  771.617    130.528  75.369  7.6054  76.143  7.1487  -0.7741928     10.43771 
1 1 1 -11 35  22 o 32.091  8.0346  144.699    62.420   195.709    94.546   105.287    83.105   36.082  10.294  27.642  9.8406  8.439062       14.24082 
1 1 1 -11 35  23 o 52.535  6.5221  365.951    81.350   356.674    102.291  381.915    134.186  50.288  8.6981  49.665  11.379  0.6228218      14.32277 
1 1 1 -11 35  24 o 27.816  9.1361  109.730    71.292   0.1633     91.090   282.958    114.535  20.667  9.1569  42.816  10.974  -22.14921      14.29260 
1 1 1 -11 35  25 o 13.873  6.6279  -70.7730   62.666   -95.7627   76.216   -18.6271   110.097  14.809  7.1352  21.492  9.7493  -6.682163      12.08135 
1 1 1 -11 35  26 o 25.787  9.6220  85.891     80.813   49.476     108.279  131.682    121.420  24.763  10.468  30.455  11.696  -5.692240      15.69663 
1 1 1 -11 35  27 o 50.720  17.936  570.333    275.648  0.0000     0.0000   570.333    275.648  ?       ?       50.720  17.936  0.000000       17.93624 
1 1 1 -11 35  28 o 29.768  13.752  28.098     232.841  0.0000     0.0000   28.098     232.841  ?       ?       29.768  13.752  0.000000       13.75205 
1 1 1 -11 35  29 o 36.593  8.9722  196.023    79.053   113.730    101.501  322.909    126.037  28.397  10.744  44.918  11.511  -16.52166      15.74618 
1 1 1 -11 35  30 o 14.769  7.0295  -67.8934   69.134   -138.1553  87.998   45.396     111.740  14.819  7.2582  24.252  10.453  -9.432920      12.72578 
1 1 1 -11 36  1  o 76.799  6.0001  740.410    110.921  724.958    134.510  773.246    196.087  75.310  7.4591  75.668  11.002  -0.3585510     13.29246 
1 1 1 -11 36  2  o 71.232  6.1206  639.102    104.760  684.765    126.376  538.795    187.304  73.245  7.2040  61.624  12.939  11.62144       14.80902 
1 1 1 -11 36  3  o 46.241  7.0435  275.855    76.531   260.521    87.603   325.275    157.267  44.363  8.4468  47.443  13.186  -3.080238      15.65983 
1 1 1 -11 36  4  o 99.813  6.0975  1253.20    146.964  1383.48    180.247  994.819    253.838  104.191 7.1734  83.977  12.868  20.21397       14.73202 
1 1 1 -11 36  5  o 38.799  5.9354  192.447    54.100   150.058    72.473   245.799    81.306   33.381  8.8166  43.142  8.0636  -9.760605      11.94795 
1 1 1 -11 36  6  o 49.988  5.9987  317.493    71.307   328.317    103.656  307.770    98.248   49.564  8.9483  48.047  8.7498  1.517586       12.51526 
1 1 1 -11 36  7  o 18.028  7.4858  14.300     53.876   -29.4921   91.083   37.868     66.820   19.983  8.9840  21.563  8.5595  -1.580317      12.40875 
1 1 1 -11 36  8  o 50.892  5.8496  328.714    70.921   347.938    107.497  313.896    94.376   50.935  9.0284  48.683  8.2864  2.252438       12.25468 
1 1 1 -11 36  9  o 21.525  7.8943  50.648     53.977   44.531     80.583   55.625     72.696   23.365  9.3584  23.584  9.0517  -0.2195587     13.01973 
1 1 1 -11 36  10 o 68.661  5.1442  591.047    85.079   604.643    118.313  576.488    122.433  68.396  7.2392  66.488  7.7336  1.908318       10.59312 
1 1 1 -11 36  11 o 50.820  7.1600  336.398    85.842   387.619    167.010  318.008    100.074  50.752  13.374  48.565  8.8171  2.187260       16.01891 
1 1 1 -11 36  12 o 19.196  8.1837  8.7855     67.125   164.172    145.514  -33.2173   75.655   34.908  12.934  17.755  8.0649  17.15227       15.24236 
1 1 1 -11 36  13 o 81.204  6.5540  846.886    128.037  661.491    226.584  933.854    155.189  64.868  14.732  84.464  7.6554  -19.59579      16.60204 
1 1 1 -11 36  14 f 23.273  8.9379  56.727     70.909   7.2035     155.520  69.724     79.672   26.910  11.942  25.014  9.5056  1.896252       15.26340 
1 1 1 -11 36  15 o 16.506  7.0991  2.5446     51.321   -68.9803   77.147   59.323     68.736   16.176  7.6171  23.267  8.8322  -7.090801      11.66307 
1 1 1 -11 36  16 o 16.717  7.1434  5.6056     51.362   5.6108     83.222   5.6024     65.276   20.568  8.9427  18.542  7.9907  2.025549       11.99263 
1 1 1 -11 36  17 o 21.241  7.9362  50.588     55.012   91.542     87.080   23.387     70.967   26.920  9.9992  20.377  8.5371  6.542315       13.14791 
1 1 1 -11 36  18 o 18.388  7.5622  22.203     54.260   28.106     87.645   18.534     69.094   22.192  9.4020  19.763  8.3591  2.428833       12.58064 
1 1 1 -11 36  19 o 15.925  7.6010  -86.7397   82.009   -86.7397   82.009   0.0000     0.0000   15.925  7.6010  ?       ?       0.000000       7.601011 
1 1 1 -11 36  20 o 63.491  5.3853  518.757    82.182   540.492    120.887  500.081    112.060  62.625  8.1485  60.495  7.8170  2.129845       11.29175 
1 1 1 -11 36  21 o 29.316  8.0665  121.541    59.181   110.163    93.561   129.130    76.408   28.161  10.383  29.787  9.4309  -1.625599      14.02707 
1 1 1 -11 36  22 o 19.976  8.2823  28.834     65.807   67.622     83.542   -34.5821   106.821  24.324  9.5976  20.462  9.4028  3.862146       13.43602 
1 1 1 -11 36  23 o 23.674  8.6755  71.500     65.171   121.864    78.848   -37.0927   115.780  28.961  9.6127  21.135  9.7404  7.826485       13.68505 
1 1 1 -11 36  24 o 23.167  8.8014  64.361     68.293   -21.9125   86.987   202.973    110.260  19.081  8.6597  35.815  11.328  -16.73407      14.25873 
1 1 1 -11 36  25 o 23.204  9.8389  38.803     96.108   68.496     101.882  -201.0701  289.575  25.424  10.398  27.334  13.341  -1.910730      16.91418 
1 1 1 -11 36  26 o 34.394  15.598  160.177    281.614  0.0000     0.0000   160.177    281.614  ?       ?       34.394  15.598  0.000000       15.59840 
1 1 1 -11 36  27 o 33.036  14.768  145.384    242.351  0.0000     0.0000   145.384    242.351  ?       ?       33.036  14.768  0.000000       14.76784 
1 1 1 -11 36  28 f 35.417  9.3751  188.339    81.828   13.971     106.562  438.900    127.740  22.361  9.9060  53.892  10.141  -31.53126      14.17627 
1 1 1 -11 36  29 o 21.848  8.7976  50.621     71.627   69.891     96.520   27.003     106.857  24.671  10.109  22.810  10.020  1.860525       14.23349 
1 1 1 -11 37  1  o 36.415  8.0445  176.346    69.183   132.745    78.207   333.258    148.363  31.482  9.4683  48.127  12.568  -16.64470      15.73573 
1 1 1 -11 37  2  f 38.740  5.8382  191.698    53.174   131.173    70.783   270.099    80.561   31.257  8.9030  45.451  7.5712  -14.19394      11.68707 
1 1 1 -11 37  3  o 64.244  4.5644  513.297    70.689   522.828    96.267   502.144    104.133  64.161  6.2635  62.535  6.9820  1.626553       9.379721 
1 1 1 -11 37  4  o 68.107  5.0996  580.297    83.661   551.578    117.346  609.985    119.309  65.239  7.5528  68.804  7.2559  -3.565697      10.47341 
1 1 1 -11 37  5  o 97.474  4.6230  1177.77    109.340  1197.32    155.201  1158.51    154.064  96.998  6.6341  95.362  6.7008  1.636108       9.429353 
1 1 1 -11 37  6  o 35.696  7.8619  170.109    66.254   186.332    99.393   157.137    88.880   36.542  10.594  33.813  10.077  2.728298       14.62071 
1 1 1 -11 37  7  o 61.468  5.4013  475.971    79.741   457.600    115.260  492.837    110.437  58.833  8.3050  61.507  7.5590  -2.673958      11.22995 
1 1 1 -11 37  8  o 57.624  5.6150  420.402    77.511   511.423    115.910  346.774    104.249  62.461  7.8193  50.790  8.7767  11.67133       11.75466 
1 1 1 -11 37  9  o 62.368  6.4331  498.811    95.955   541.173    180.624  482.155    113.259  60.691  12.674  60.504  7.9036  0.1872368      14.93688 
1 1 1 -11 37  10 o 25.502  9.0622  79.805     70.447   84.547     137.973  78.133     81.931   29.695  12.118  25.995  9.6905  3.700537       15.51585 
1 1 1 -11 37  11 o 28.754  9.4499  110.856    76.268   370.543    155.799  29.012     87.465   49.403  12.869  22.652  9.4830  26.75037       15.98549 
1 1 1 -11 37  12 o 66.342  6.7906  571.755    107.769  902.956    195.005  426.124    129.309  80.432  10.223  55.090  10.044  25.34207       14.33124 
1 1 1 -11 37  13 o 38.523  7.3127  198.830    65.853   280.098    90.280   106.423    96.268   45.199  8.5450  28.729  10.542  16.47001       13.56993 
1 1 1 -11 37  14 o 44.539  6.3909  259.698    67.087   51.630     100.428  427.366    90.153   24.877  10.266  57.174  6.6211  -32.29761      12.21596 
1 1 1 -11 37  15 o 25.699  8.5476  88.455     62.332   21.123     92.055   145.463    84.704   22.226  9.5322  31.808  9.9094  -9.581783      13.74987 
1 1 1 -11 37  16 o 19.359  7.8487  29.457     57.430   13.899     90.423   39.976     74.352   21.561  9.3478  21.830  8.9003  -0.2691994     12.90718 
1 1 1 -11 37  17 o 38.352  7.0399  198.967    63.098   149.722    96.754   235.409    83.233   31.799  10.651  40.787  8.6770  -8.987314      13.73797 
1 1 1 -11 37  18 o 41.879  9.8489  259.568    98.400   259.568    98.400   0.0000     0.0000   41.879  9.8489  ?       ?       0.000000       9.848878 
1 1 1 -11 37  19 o 60.936  5.4535  480.340    79.781   502.112    117.724  461.848    108.494  59.991  8.3108  57.827  7.9421  2.163784       11.49547 
1 1 1 -11 37  20 o 19.306  8.2197  18.031     67.553   -59.5081   89.250   122.039    103.367  17.645  8.2718  29.130  10.880  -11.48508      13.66705 
1 1 1 -11 37  21 o 15.001  7.0436  -51.4277   65.140   16.127     85.101   -147.0111  101.228  20.855  9.0552  16.135  7.8774  4.720467       12.00206 
1 1 1 -11 37  22 o 34.828  8.9279  177.589    75.799   101.941    100.047  279.519    116.133  27.487  10.601  41.982  11.195  -14.49482      15.41794 
1 1 1 -11 37  23 o 21.721  8.8742  42.978     74.110   35.555     95.687   54.107     117.155  22.875  9.7619  25.301  10.799  -2.425671      14.55758 
1 1 1 -11 37  24 o 27.184  10.132  101.607    89.559   88.222     94.533   218.856    279.793  26.306  10.260  35.750  15.932  -9.443615      18.95010 
1 1 1 -11 37  25 o 37.453  16.535  284.228    294.421  0.0000     0.0000   284.228    294.421  ?       ?       37.453  16.535  0.000000       16.53502 
1 1 1 -11 37  26 o 24.609  10.548  49.978     112.609  0.0000     0.0000   49.978     112.609  ?       ?       24.609  10.548  0.000000       10.54824 
1 1 1 -11 37  27 o 27.056  9.3193  107.066    74.133   106.248    99.526   108.086    111.108  27.373  10.569  27.782  11.034  -0.4090462     15.27913 
1 1 1 -11 38  1  o 43.528  6.3813  243.851    65.397   281.599    99.021   214.649    87.093   45.537  9.2769  39.661  9.2244  5.875874       13.08247 
1 1 1 -11 38  2  o 27.951  8.1582  103.898    58.767   77.290     82.889   130.791    83.331   26.167  9.7486  31.162  9.8470  -4.994425      13.85633 
1 1 1 -11 38  3  o 39.215  7.2361  202.219    66.316   195.205    96.768   208.431    91.062   37.378  10.327  38.832  9.6946  -1.453411      14.16447 
1 1 1 -11 38  4  o 68.376  5.0424  585.843    83.067   553.285    117.505  618.368    117.443  65.166  7.5726  69.213  7.0934  -4.047142      10.37601 
1 1 1 -11 38  5  o 56.853  5.5906  409.349    76.124   415.189    109.023  403.793    106.338  55.922  8.2855  55.190  8.1892  0.7317963      11.64960 
1 1 1 -11 38  6  o 69.875  5.6081  617.418    94.282   664.905    128.571  562.177    138.671  71.400  7.5351  64.594  9.0998  6.805672       11.81457 
1 1 1 -11 38  7  o 51.106  7.8193  346.052    93.877   225.585    163.832  404.942    114.548  39.027  13.825  54.694  8.9404  -15.66710      16.46391 
1 1 1 -11 38  8  o 58.814  7.3681  453.602    102.840  393.636    183.337  481.133    124.225  49.776  14.376  59.658  8.8501  -9.882401      16.88134 
1 1 1 -11 38  9  o 50.775  7.7402  343.101    92.343   265.513    166.822  377.377    110.880  41.223  13.985  52.508  9.0284  -11.28442      16.64574 
1 1 1 -11 38  10 o 39.430  9.2102  217.692    86.524   3.4577     165.521  298.242    101.495  27.267  12.196  46.231  9.3688  -18.96365      15.37877 
1 1 1 -11 38  11 o 27.956  8.3165  107.026    60.581   217.443    83.551   -15.3778   87.969   39.436  8.9381  19.929  8.9038  19.50700       12.61615 
1 1 1 -11 38  12 o 51.770  5.7263  345.235    70.727   297.917    98.614   395.358    101.493  46.070  9.1443  54.059  7.9773  -7.988712      12.13488 
1 1 1 -11 38  13 o 26.300  8.1538  94.593     57.428   129.260    84.075   64.272     78.629   30.164  9.9221  24.127  9.3718  6.036757       13.64846 
1 1 1 -11 38  14 o 58.012  5.6186  434.117    78.097   431.154    112.808  436.843    108.226  55.698  8.6260  56.451  8.1362  -0.7533798     11.85773 
1 1 1 -11 38  15 o 13.823  6.4599  -42.5046   53.706   -7.8787    87.222   -63.6489   68.159   19.931  8.8880  14.979  7.0854  4.952179       11.36663 
1 1 1 -11 38  16 o 18.692  7.5118  29.798     52.108   -0.1822    89.186   45.337     64.206   20.444  9.0593  21.221  8.4010  -0.7777061     12.35507 
1 1 1 -11 38  17 o 37.073  10.847  215.040    103.775  215.040    103.775  0.0000     0.0000   37.073  10.847  ?       ?       0.000000       10.84687 
1 1 1 -11 38  18 o 32.381  10.259  160.570    90.406   151.322    98.118   212.554    232.627  31.389  10.725  35.088  15.103  -3.698719      18.52342 
1 1 1 -11 38  19 o 14.860  7.0163  -57.3901   66.273   -101.6701  86.866   4.2784     102.513  15.808  7.6168  21.636  9.6430  -5.827639      12.28833 
1 1 1 -11 38  20 o 31.386  9.0867  146.012    73.170   155.471    99.103   134.676    108.490  31.625  10.778  29.928  11.152  1.696945       15.50959 
1 1 1 -11 38  21 o 59.843  6.1636  474.123    88.218   482.017    115.449  463.045    136.758  58.382  8.3909  54.947  10.642  3.435593       13.55215 
1 1 1 -11 38  22 o 26.211  10.481  84.903     100.904  101.631    108.733  -18.8570   270.809  27.633  10.935  29.389  13.966  -1.755703      17.73767 
1 1 1 -11 38  23 o 16.666  7.8678  -65.4113   83.282   -67.5055   86.890   -41.7517   292.057  16.997  8.0280  29.520  14.158  -12.52286      16.27566 
1 1 1 -11 38  24 o 51.185  14.921  502.950    196.682  427.845    250.609  623.399    317.368  43.018  16.725  47.733  18.747  -4.714249      25.12335 
1 1 1 -11 38  25 o 20.267  9.3361  -29.2780   106.201  0.0000     0.0000   -29.2780   106.201  ?       ?       20.267  9.3361  0.000000       9.336074 
1 1 1 -11 38  26 o 25.476  9.1952  92.793     72.812   151.913    95.317   9.9562     112.828  30.790  10.569  22.262  10.005  8.527796       14.55374 
1 1 1 -11 39  1  o 21.948  7.8931  55.397     53.595   -43.0683   82.955   125.945    70.217   18.226  8.3423  30.468  8.9246  -12.24195      12.21650 
1 1 1 -11 39  2  o 39.485  6.9140  204.410    63.826   181.922    96.028   222.207    85.427   35.959  10.409  40.298  8.9678  -4.338921      13.73959 
1 1 1 -11 39  3  o 34.817  8.9277  166.705    75.779   5.9507     140.253  232.980    90.055   25.999  11.449  41.104  9.2526  -15.10431      14.72022 
1 1 1 -11 39  4  o 28.073  9.3784  103.906    75.014   -90.0168   133.749  192.900    90.606   21.755  10.175  37.041  9.8938  -15.28666      14.19253 
1 1 1 -11 39  5  o 22.400  8.8409  46.050     70.906   176.873    128.927  -10.6788   84.899   35.238  12.281  20.010  8.8545  15.22814       15.14038 
1 1 1 -11 39  6  o 14.705  6.9206  -59.3516   63.514   -166.1415  120.302  -18.0816   74.787   18.129  8.7911  18.364  8.2067  -0.2347469     12.02636 
1 1 1 -11 39  7  o 59.344  7.3547  464.297    103.634  261.843    184.985  556.904    125.111  40.574  14.655  64.478  8.1809  -23.90389      16.78344 
1 1 1 -11 39  8  o 36.353  9.5158  187.728    84.918   22.153     159.406  253.332    100.340  27.485  12.149  42.057  9.9823  -14.57248      15.72386 
1 1 1 -11 39  9  f 53.218  5.8264  364.992    74.007   360.000    100.459  370.916    109.439  51.349  8.3498  51.645  9.0640  -0.2954979     12.32371 
1 1 1 -11 39  10 o 31.132  8.0294  134.443    61.049   145.479    83.890   122.019    89.010   31.814  9.8536  29.588  10.211  2.226240       14.18972 
1 1 1 -11 39  11 o 61.203  5.4953  481.056    80.738   444.770    111.184  521.536    117.433  56.914  8.2950  61.926  8.0027  -5.011726      11.52609 
1 1 1 -11 39  12 o 13.456  6.3172  -45.7869   52.377   64.854     78.932   -132.8349  70.013   24.038  9.3753  12.858  6.3328  11.18008       11.31373 
1 1 1 -11 39  13 o 26.231  8.2602  95.704     58.679   61.067     91.114   120.251    76.704   24.402  9.8885  28.938  9.4752  -4.535564      13.69529 
1 1 1 -11 39  14 o 17.722  7.5859  10.336     58.102   4.8621     87.774   14.604     77.516   20.536  9.0492  20.124  8.6900  0.4116516      12.54606 
1 1 1 -11 39  15 o 28.075  8.2417  112.662    59.824   81.491     95.975   132.469    76.504   25.840  10.258  29.938  9.4324  -4.097591      13.93540 
1 1 1 -11 39  16 o 37.696  10.904  226.038    105.402  226.038    105.402  0.0000     0.0000   37.696  10.904  ?       ?       0.000000       10.90370 
1 1 1 -11 39  17 o 36.620  11.043  216.126    106.280  216.126    106.280  0.0000     0.0000   36.620  11.043  ?       ?       0.000000       11.04304 
1 1 1 -11 39  18 o 30.667  9.0841  140.212    72.394   160.000    98.632   117.102    106.593  31.863  10.753  28.450  10.950  3.413568       15.34753 
1 1 1 -11 39  19 o 66.624  5.7600  582.648    92.199   486.624    124.737  698.292    136.887  57.641  9.2301  70.430  8.1614  -12.78921      12.32079 
1 1 1 -11 39  20 o 18.988  8.6647  -23.0771   88.620   -29.3795   96.009   13.205     230.359  19.426  8.9221  28.477  13.331  -9.050732      16.04082 
1 1 1 -11 39  21 o 17.545  8.2878  -68.3660   92.670   -44.2568   100.079  -213.3469  245.419  19.206  8.9226  24.614  12.069  -5.407692      15.00930 
1 1 1 -11 39  22 o 41.545  11.071  278.080    113.624  260.448    123.393  376.393    291.376  39.294  11.910  39.377  16.925  -0.8364105E-01 20.69575 
1 1 1 -11 39  23 o 79.423  7.3767  869.345    140.534  819.495    286.091  885.199    161.341  58.721  18.198  78.507  8.6111  -19.78658      20.13267 
1 1 1 -11 39  24 o 63.020  10.258  614.154    151.469  0.0000     0.0000   614.154    151.469  ?       ?       63.020  10.258  0.000000       10.25847 
1 1 1 -11 39  25 o 27.396  9.5421  114.855    77.824   -15.0225   100.101  313.314    123.739  20.018  9.1631  42.605  11.640  -22.58644      14.81362 
1 1 1 -11 40  1  f 61.682  5.3356  481.277    79.069   526.518    112.811  437.591    110.856  63.337  7.4853  57.243  8.2169  6.093639       11.11518 
1 1 1 -11 40  2  o 50.627  7.4278  338.549    88.532   190.824    166.234  397.041    104.601  36.562  13.769  54.457  8.1681  -17.89503      16.00957 
1 1 1 -11 40  3  o 38.675  8.6536  206.004    79.176   263.818    150.791  183.997    93.033   41.297  13.267  35.892  10.201  5.404987       16.73561 
1 1 1 -11 40  4  o 55.888  7.2935  412.118    96.548   388.270    166.619  424.172    118.463  49.640  13.484  55.530  9.1080  -5.889153      16.27167 
1 1 1 -11 40  5  o 28.359  9.5310  108.899    77.480   160.022    147.788  89.521     90.987   33.896  12.931  27.109  10.191  6.787374       16.46385 
1 1 1 -11 40  6  o 18.603  8.1161  -0.0905    69.052   25.143     129.098  -10.2029   81.726   25.482  11.108  19.477  8.6496  6.004757       14.07835 
1 1 1 -11 40  7  o 58.640  5.8401  443.529    81.990   371.862    119.965  506.348    112.316  50.811  10.086  61.406  7.7080  -10.59493      12.69426 
1 1 1 -11 40  8  o 52.288  6.4494  359.046    80.091   356.764    114.362  361.243    112.201  49.786  9.8159  50.323  9.5381  -0.5370598     13.68674 
1 1 1 -11 40  9  o 24.367  8.4732  77.869     61.353   76.817     86.785   78.919     86.748   25.469  9.8590  25.631  9.8750  -0.1619968     13.95407 
1 1 1 -11 40  10 o 36.538  7.5975  184.402    65.160   218.373    89.694   146.436    94.821   38.545  9.6207  31.416  10.544  7.128719       14.27339 
1 1 1 -11 40  11 o 21.889  8.1520  57.357     57.952   78.403     79.573   33.585     84.569   25.019  9.5016  22.005  9.2743  3.014000       13.27752 
1 1 1 -11 40  12 o 33.658  8.1165  161.291    65.516   137.857    91.271   186.202    94.102   30.345  10.344  34.795  10.368  -4.450006      14.64567 
1 1 1 -11 40  13 o 16.961  7.3191  6.5983     54.911   38.115     84.594   -16.3503   72.185   22.104  9.2937  17.619  7.9523  4.485460       12.23163 
1 1 1 -11 40  14 o 42.247  6.9123  244.085    68.407   313.734    105.467  193.507    89.876   45.572  9.8271  35.385  10.016  10.18613       14.03183 
1 1 1 -11 40  15 o 39.237  10.879  247.569    107.178  247.569    107.178  0.0000     0.0000   39.237  10.879  ?       ?       0.000000       10.87879 
1 1 1 -11 40  16 o 23.441  9.8900  49.981     96.335   49.981     96.335   0.0000     0.0000   23.441  9.8900  ?       ?       0.000000       9.890024 
1 1 1 -11 40  17 o 46.583  7.4954  303.023    81.846   279.805    112.796  328.842    118.944  41.558  11.010  45.297  10.944  -3.739052      15.52424 
1 1 1 -11 40  18 o 62.121  6.6101  520.919    98.104   464.518    145.731  567.661    132.667  53.432  11.575  62.313  9.0382  -8.880527      14.68584 
1 1 1 -11 40  19 o 34.122  10.906  188.526    101.989  173.905    111.810  260.954    248.856  32.582  11.432  35.758  15.505  -3.176189      19.26432 
1 1 1 -11 40  20 o 32.591  11.183  173.002    106.692  158.834    118.094  235.927    248.873  31.328  11.643  34.836  15.297  -3.507929      19.22407 
1 1 1 -11 40  21 o 35.030  9.0015  184.419    76.923   79.253     104.473  308.939    113.680  25.580  10.503  43.943  10.750  -18.36288      15.02963 
1 1 1 -11 40  22 f 27.133  10.517  106.998    98.855   -118.7885  212.128  169.635    111.729  24.188  11.715  31.860  11.403  -7.672251      16.34857 
1 1 1 -11 40  23 o 56.542  10.881  517.351    143.858  0.0000     0.0000   517.351    143.858  ?       ?       56.542  10.881  0.000000       10.88066 
1 1 1 -11 41  1  o 42.426  8.2116  245.434    81.477   80.164     157.365  305.965    95.236   29.953  12.639  47.237  8.6271  -17.28382      15.30268 
1 1 1 -11 41  2  o 58.243  7.0511  446.700    97.617   358.363    180.020  483.493    116.181  46.432  14.443  59.816  8.2222  -13.38406      16.61958 
1 1 1 -11 41  3  o 56.003  7.3133  416.913    97.004   422.323    187.930  414.948    113.258  50.094  14.580  54.845  8.8090  -4.750343      17.03422 
1 1 1 -11 41  4  o 22.337  8.6412  52.804     66.636   -76.3437   138.617  91.620     75.993   22.138  10.356  26.451  9.4108  -4.313076      13.99331 
1 1 1 -11 41  5  o 44.105  7.2640  261.886    75.031   299.302    110.053  229.391    102.561  45.132  10.279  39.199  10.550  5.933449       14.73011 
1 1 1 -11 41  6  o 44.979  7.2687  273.211    76.624   390.350    112.519  171.913    104.634  52.487  9.1688  33.734  11.068  18.75322       14.37218 
1 1 1 -11 41  7  o 64.588  5.6330  539.286    87.395   602.753    127.859  483.631    119.731  66.217  8.1285  58.808  8.6492  7.409279       11.86937 
1 1 1 -11 41  8  o 28.428  8.7709  115.478    66.542   213.785    98.052   31.551     90.597   37.449  10.413  22.376  9.5226  15.07335       14.11085 
1 1 1 -11 41  9  o 35.800  7.9187  180.600    66.962   100.951    94.358   261.409    95.043   27.305  10.352  42.059  9.5334  -14.75312      14.07320 
1 1 1 -11 41  10 o 30.222  8.5315  132.577    65.300   223.967    92.725   42.661     91.975   38.417  9.8889  22.959  9.6738  15.45819       13.83380 
1 1 1 -11 41  11 f 19.309  7.9620  29.275     60.348   33.082     86.475   25.661     84.259   21.847  9.3005  21.208  9.1084  0.6382236      13.01776 
1 1 1 -11 41  12 o 23.929  8.8401  76.123     67.878   133.333    106.620  37.133     88.019   29.518  11.045  22.118  9.3988  7.400400       14.50245 
1 1 1 -11 41  13 o 34.189  8.1848  170.020    66.997   132.279    106.620  194.646    86.125   29.305  11.029  35.480  9.7179  -6.174681      14.69952 
1 1 1 -11 41  14 o 55.421  9.1973  455.513    119.345  455.513    119.345  0.0000     0.0000   55.421  9.1973  ?       ?       0.000000       9.197348 
1 1 1 -11 41  15 o 44.575  10.144  310.186    107.241  310.186    107.241  0.0000     0.0000   44.575  10.144  ?       ?       0.000000       10.14357 
1 1 1 -11 41  16 o 40.734  8.0170  238.581    76.417   197.635    102.209  290.479    115.069  34.654  10.900  42.031  11.113  -7.376682      15.56654 
1 1 1 -11 41  17 f 17.490  8.3172  -76.3805   96.337   -91.7184   105.887  -2.6700    232.127  17.924  8.5775  27.581  13.056  -9.657181      15.62121 
1 1 1 -11 41  18 o 23.752  10.003  55.358     98.246   86.663     107.773  -98.5868   238.993  26.122  10.690  25.864  12.504  0.2575645      16.45093 
1 1 1 -11 41  19 o 40.281  10.787  263.885    107.538  236.564    118.132  396.050    259.820  37.078  11.725  39.715  16.461  -2.637321      20.20989 
1 1 1 -11 41  20 o 17.612  7.8778  -5.5957    69.074   -119.0013  88.625   169.905    110.250  15.266  7.4351  31.804  11.333  -16.53746      13.55428 
1 1 1 -11 41  21 o 52.372  9.3593  417.448    114.570  296.473    240.147  453.097    130.362  35.436  15.299  53.288  10.456  -17.85147      18.53031 
1 1 1 -11 41  22 o 65.152  9.6612  659.609    148.103  0.0000     0.0000   659.609    148.103  ?       ?       65.152  9.6612  0.000000       9.661226 
1 1 1 -11 42  1  f 73.375  5.3360  687.004    94.351   645.888    129.664  733.273    137.549  69.204  7.8614  73.833  7.7958  -4.628677      11.07142 
1 1 1 -11 42  2  o 24.047  8.2501  75.720     58.071   64.904     92.582   82.735     74.561   24.977  10.022  25.440  9.2861  -0.4625492     13.66247 
1 1 1 -11 42  3  o 14.750  6.6927  -21.5681   51.925   13.146     87.709   -40.2992   64.428   21.179  9.1943  15.554  7.2026  5.624465       11.67958 
1 1 1 -11 42  4  o 46.286  6.6824  285.923    72.876   279.384    115.397  290.261    93.990   42.541  11.072  45.147  8.8964  -2.606251      14.20359 
1 1 1 -11 42  5  o 39.960  7.3206  218.825    68.365   179.494    110.160  243.461    87.186   33.894  11.365  41.064  8.9989  -7.169468      14.49611 
1 1 1 -11 42  6  o 15.809  7.1117  -15.4337   57.166   -64.8045   90.124   17.803     73.946   17.535  8.2496  19.938  8.5468  -2.402906      11.87871 
1 1 1 -11 42  7  o 61.880  5.6197  499.314    83.457   604.285    120.493  402.518    115.706  66.267  7.6333  52.375  9.4526  13.89222       12.14988 
1 1 1 -11 42  8  o 57.257  5.8054  431.212    79.539   502.508    110.087  353.343    115.049  60.154  7.7205  48.142  10.168  12.01243       12.76687 
1 1 1 -11 42  9  o 16.567  7.3331  -3.9167    58.276   4.5530     79.730   -13.6319   85.391   19.469  8.5994  19.059  8.6215  0.4098549      12.17702 
1 1 1 -11 42  10 o 17.066  7.3542  9.1481     55.285   -37.0780   79.452   52.539     76.977   17.259  7.9942  22.311  9.0716  -5.052408      12.09135 
1 1 1 -11 42  11 o 20.270  8.3772  36.169     67.015   72.378     106.272  12.265     86.346   25.116  10.478  20.358  8.9729  4.757673       13.79528 
1 1 1 -11 42  12 o 42.439  7.4144  253.860    73.570   230.802    110.333  272.320    98.721   36.938  11.277  41.766  9.8936  -4.827232      15.00175 
1 1 1 -11 42  13 o 25.700  10.392  87.227     100.400  87.227     100.400  0.0000     0.0000   25.700  10.392  ?       ?       0.000000       10.39216 
1 1 1 -11 42  14 o 47.696  10.442  361.762    117.489  361.762    117.489  0.0000     0.0000   47.696  10.442  ?       ?       0.000000       10.44162 
1 1 1 -11 42  15 o 24.419  10.296  64.198     104.313  84.947     114.467  -37.4387   253.336  26.045  10.871  27.188  13.077  -1.143421      17.00580 
1 1 1 -11 42  16 o 70.573  8.6432  725.998    144.913  343.721    163.842  2099.56    310.570  41.744  13.857  113.621 11.420  -71.87683      17.95616 
1 1 1 -11 42  17 f 17.925  8.3372  -39.6330   87.789   -28.0760   94.809   -109.1153  232.468  19.086  8.8025  25.113  12.187  -6.026518      15.03383 
1 1 1 -11 42  18 o 19.972  8.3704  32.404     68.263   65.074     92.360   -6.9292    101.343  23.804  9.8359  20.500  9.3204  3.303659       13.55044 
1 1 1 -11 42  19 o 16.122  7.4103  -25.2996   66.410   -159.5842  90.408   132.070    97.871   14.321  7.0798  28.653  10.609  -14.33221      12.75446 
1 1 1 -11 42  20 o 43.131  10.662  310.396    110.950  366.423    228.590  293.130    126.900  37.505  15.484  39.903  12.074  -2.397671      19.63518 
1 1 1 -11 43  1  o 46.547  6.6100  289.118    72.558   375.823    107.784  217.263    98.121   51.368  8.9743  37.817  10.379  13.55058       13.72062 
1 1 1 -11 43  2  o 13.386  6.2982  -46.4705   52.543   25.319     87.744   -86.6053   65.606   21.705  9.3075  13.658  6.5900  8.047878       11.40428 
1 1 1 -11 43  3  o 42.561  6.8678  245.652    68.510   203.653    106.917  274.910    89.238   35.803  11.130  43.752  8.7121  -7.948730      14.13412 
1 1 1 -11 43  4  o 29.554  8.3669  126.345    62.711   37.219     101.829  180.800    79.596   23.281  10.006  34.822  9.2601  -11.54053      13.63352 
1 1 1 -11 43  5  o 22.392  8.3300  63.118     60.479   155.626    100.141  10.004     75.880   31.465  10.832  19.471  8.5011  11.99358       13.76939 
1 1 1 -11 43  6  f 47.875  6.7285  311.817    76.004   387.748    119.330  259.989    98.587   50.301  10.127  41.027  9.9955  9.273666       14.22939 
1 1 1 -11 43  7  o 33.800  8.5184  168.911    69.836   113.770    105.329  212.166    93.290   27.874  10.841  36.646  10.146  -8.772694      14.84823 
1 1 1 -11 43  8  o 13.062  6.1983  -51.3597   52.967   -133.1366  78.772   16.127     71.559   13.742  6.7584  19.230  8.3265  -5.487459      10.72413 
1 1 1 -11 43  9  o 20.805  8.0753  50.910     58.346   -26.2607   86.033   116.629    79.393   18.311  8.4232  27.643  9.6373  -9.332071      12.79950 
1 1 1 -11 43  10 o 23.657  8.6961  77.437     65.552   94.192     95.380   62.439     90.243   25.904  10.244  23.504  9.7181  2.399618       14.12035 
1 1 1 -11 43  11 o 38.628  7.6362  214.433    69.035   44.295     107.679  333.166    89.954   23.333  10.159  48.018  8.0023  -24.68474      12.93182 
1 1 1 -11 43  12 o 14.297  7.0264  -135.8924  84.699   -135.8924  84.699   0.0000     0.0000   14.297  7.0264  ?       ?       0.000000       7.026398 
1 1 1 -11 43  13 o 24.298  10.303  64.293     105.387  64.293     105.387  0.0000     0.0000   24.298  10.303  ?       ?       0.000000       10.30287 
1 1 1 -11 43  14 o 16.752  8.0266  -85.0027   93.376   -33.1024   101.003  -390.2388  244.944  19.342  8.9782  21.435  10.759  -2.093197      14.01292 
1 1 1 -11 43  15 o 22.855  9.9258  40.927     102.301  67.208     111.538  -98.3172   256.737  24.754  10.551  25.917  12.629  -1.162649      16.45690 
1 1 1 -11 43  16 o 19.360  7.9720  33.933     60.396   148.953    98.691   -34.9344   76.365   30.035  10.720  16.815  7.8059  13.21972       13.26117 
1 1 1 -11 43  17 o 27.159  8.7308  112.381    65.295   212.866    106.601  52.045     82.604   34.972  11.147  22.204  9.2486  12.76805       14.48391 
1 1 1 -11 43  18 o 16.517  7.2842  2.4597     56.989   73.649     95.303   -37.1647   71.102   24.077  9.9735  15.992  7.4598  8.084693       12.45472 
1 1 1 -11 43  19 o 43.860  10.095  317.011    105.211  357.930    216.106  304.300    120.450  36.565  15.071  40.818  11.610  -4.253021      19.02416 
1 1 1 -11 44  1  o 62.320  5.4486  505.629    81.563   498.506    116.759  512.417    113.985  59.320  8.3426  60.531  7.9533  -1.211769      11.52621 
1 1 1 -11 44  2  o 59.226  5.8040  462.266    82.335   605.921    121.885  341.693    111.665  65.915  7.7702  47.290  10.042  18.62509       12.69712 
1 1 1 -11 44  3  o 20.229  8.0672  42.047     59.608   43.024     100.823  41.522     73.909   23.257  9.9751  21.302  8.8002  1.954689       13.30209 
1 1 1 -11 44  4  o 35.873  7.9623  185.977    67.497   259.013    105.300  135.039    87.940   40.048  10.651  29.445  10.150  10.60383       14.71274 
1 1 1 -11 44  5  o 42.398  7.2700  252.344    72.098   172.314    115.696  303.155    92.187   31.864  11.577  45.287  8.7057  -13.42258      14.48508 
1 1 1 -11 44  6  o 44.167  7.8339  280.377    80.880   277.624    116.247  282.960    112.604  40.293  11.386  41.113  11.050  -0.8194923     15.86668 
1 1 1 -11 44  7  o 58.857  6.3935  471.708    89.839   407.123    126.145  538.183    127.978  50.043  10.712  59.807  9.1065  -9.764122      14.05987 
1 1 1 -11 44  8  o 43.588  7.7839  274.489    79.304   318.950    109.776  225.958    114.690  44.329  10.387  35.653  11.582  8.676769       15.55767 
1 1 1 -11 44  9  o 20.806  8.3602  48.218     64.534   125.931    98.349   -10.5436   85.520   28.055  10.585  18.830  8.5614  9.225134       13.61413 
1 1 1 -11 44  10 o 70.200  5.4284  651.872    91.745   664.678    132.383  640.038    127.262  67.416  8.2661  66.414  8.0625  1.002335       11.54695 
1 1 1 -11 44  11 o 34.873  11.829  221.202    119.355  221.202    119.355  0.0000     0.0000   34.873  11.829  ?       ?       0.000000       11.82891 
1 1 1 -11 44  12 o 32.262  11.736  186.293    118.957  186.293    118.957  0.0000     0.0000   32.262  11.736  ?       ?       0.000000       11.73637 
1 1 1 -11 44  13 o 16.353  7.7850  -68.2654   84.861   -17.9332   89.418   -524.6658  269.263  18.847  8.6392  20.965  10.610  -2.118416      13.68212 
1 1 1 -11 44  14 o 19.126  7.9791  30.631     61.622   89.305     104.678  -0.4847    76.230   25.550  10.505  18.452  8.2630  7.097982       13.36540 
1 1 1 -11 44  15 o 28.747  8.7136  127.703    66.047   122.366    109.854  130.724    82.654   27.648  10.975  28.472  9.8384  -0.8233967     14.73921 
1 1 1 -11 44  16 o 25.149  8.4795  95.598     61.329   84.955     98.549   102.325    78.349   24.800  10.194  25.755  9.5009  -0.9544678     13.93532 
1 1 1 -11 44  17 o 17.113  7.8126  -13.4357   72.143   171.533    281.382  -26.4503   74.638   29.715  14.154  16.736  7.7509  12.97811       16.13724 
1 1 1 -11 45  1  o 17.755  7.5621  16.233     57.214   85.164     93.336   -25.2584   72.415   25.346  10.099  16.941  7.7688  8.405533       12.74134 
1 1 1 -11 45  2  o 29.768  8.4283  132.686    63.631   160.826    99.600   113.280    82.711   31.193  10.799  27.278  9.8059  3.915112       14.58664 
1 1 1 -11 45  3  o 39.255  8.4649  229.408    78.256   198.580    112.178  258.633    109.222  33.679  11.468  39.080  11.034  -5.400501      15.91419 
1 1 1 -11 45  4  o 21.866  8.6677  57.910     68.434   59.124     96.029   56.656     97.551   23.401  9.8738  23.326  9.9029  0.7476616E-01  13.98426 
1 1 1 -11 45  5  o 23.110  8.9474  71.554     71.488   164.081    103.314  -13.4448   99.022   30.903  10.975  19.807  9.0836  11.09662       14.24660 
1 1 1 -11 45  6  o 26.217  9.1192  105.457    71.068   136.514    100.907  74.889     100.108  28.671  10.741  24.388  10.172  4.282967       14.79327 
1 1 1 -11 45  7  o ?       ?       -326.0360  63.401   -242.8927  90.239   -407.0885  89.097   12.559  6.3323  ?       ?       0.000000       6.332296 
1 1 1 -11 45  8  o 12.151  6.0984  -194.3308  78.580   -167.5960  81.374   -563.7336  302.480  13.042  6.4931  21.671  10.996  -8.629410      12.77010 
1 1 1 -11 45  9  o 60.674  9.4959  572.519    135.215  495.392    148.749  939.440    324.442  53.131  11.841  53.188  19.377  -0.5732727E-01 22.70882 
1 1 1 -11 45  10 o 31.483  11.594  179.168    116.594  179.168    116.594  0.0000     0.0000   31.483  11.594  ?       ?       0.000000       11.59387 
1 1 1 -11 45  11 o 19.116  8.7537  -13.5204   91.489   -13.5204   91.489   0.0000     0.0000   19.116  8.7537  ?       ?       0.000000       8.753748 
1 1 1 -11 45  12 o 23.393  8.5608  78.238     63.427   121.111    104.300  53.079     79.898   27.445  10.757  21.970  9.1189  5.475378       14.10192 
1 1 1 -11 45  13 o 16.898  7.4192  6.1023     58.519   59.934     94.913   -26.9110   74.328   23.097  9.7848  16.783  7.7590  6.314783       12.48774 
1 1 1 -11 45  14 o 21.134  8.1886  57.824     59.912   33.778     102.652  70.246     73.781   21.934  9.7194  22.800  9.0121  -0.8664169     13.25464 
1 1 1 -11 45  15 o 19.181  8.4342  18.903     75.878   -21.8765   273.957  22.291     78.967   25.995  12.748  19.620  8.6163  6.374407       15.38638 
1 1 1 -11 45  16 o 17.010  7.8153  -15.0780   73.754   53.966     280.068  -20.2230   76.452   26.703  13.051  17.028  7.8712  9.675615       15.24126 
1 1 1 -11 46  1  o 17.166  7.2842  17.387     52.741   -28.1122   92.662   39.189     64.144   18.621  8.6280  19.969  8.2185  -1.348293      11.91578 
1 1 1 -11 46  2  o 14.899  6.9812  -40.4212   63.428   -141.3542  86.775   75.377     92.945   14.272  7.0334  24.087  9.9007  -9.814945      12.14467 
1 1 1 -11 46  3  o 15.622  7.2803  -35.1647   67.470   54.956     98.438   -115.0122  92.657   22.988  9.8579  15.565  7.5855  7.422442       12.43858 
1 1 1 -11 46  4  o 43.563  7.7852  278.378    79.271   331.942    111.487  223.608    112.735  44.552  10.487  34.876  11.490  9.675903       15.55670 
1 1 1 -11 46  5  o 23.074  8.9864  73.473     72.441   103.223    104.975  46.427     100.093  26.033  10.590  22.506  9.7964  3.527166       14.42655 
1 1 1 -11 46  6  o 22.863  10.129  42.468     111.406  -29.6249   125.962  301.427    238.733  20.856  9.7931  33.751  14.895  -12.89473      17.82640 
1 1 1 -11 46  7  o 27.965  11.270  132.388    117.637  106.368    124.837  338.633    351.464  26.538  11.231  32.926  15.721  -6.388184      19.32056 
1 1 1 -11 46  8  o 54.561  9.7560  474.290    124.417  450.185    135.178  607.866    318.211  51.128  11.206  40.207  17.484  10.92129       20.76665 
1 1 1 -11 46  9  o 45.509  11.930  377.232    133.350  377.232    133.350  0.0000     0.0000   45.509  11.930  ?       ?       0.000000       11.93046 
1 1 1 -11 46  10 o 28.177  10.258  132.611    90.901   132.611    90.901   0.0000     0.0000   28.177  10.258  ?       ?       0.000000       10.25806 
1 1 1 -11 46  11 o 26.975  8.8279  114.583    66.585   186.259    100.905  59.300     88.618   32.254  10.877  22.603  9.5083  9.651590       14.44672 
1 1 1 -11 46  12 o 18.781  7.8758  31.173     60.491   118.729    97.762   -23.1453   77.001   26.752  10.434  17.089  7.8995  9.662895       13.08679 
1 1 1 -11 46  13 o 32.631  10.228  187.215    90.087   387.944    266.787  161.382    95.708   34.194  15.374  29.925  10.570  4.269426       18.65752 
1 1 1 -11 46  14 o 25.858  9.8930  112.832    86.666   528.048    286.499  71.010     90.926   36.395  16.177  22.921  9.6361  13.47463       18.82970 
1 1 1 -11 47  1  o 19.773  7.9262  44.750     57.854   152.792    94.970   -19.0048   72.954   29.615  10.522  16.919  7.7733  12.69522       13.08198 
1 1 1 -11 47  2  o 25.686  8.0557  100.635    55.873   -11.3421   104.162  145.870    66.203   19.919  9.2007  30.461  8.5873  -10.54203      12.58547 
1 1 1 -11 47  3  o 40.620  12.550  328.586    136.181  407.758    155.553  68.787     281.781  44.256  13.363  27.678  13.429  16.57800       18.94489 
1 1 1 -11 47  4  o 22.606  10.058  41.892     111.012  -64.2913   125.070  436.167    241.005  19.559  9.3495  37.807  15.777  -18.24830      18.33913 
1 1 1 -11 47  5  o 60.082  11.005  618.468    154.525  696.919    177.816  376.467    312.306  61.557  12.335  33.483  15.624  28.07423       19.90613 
1 1 1 -11 47  6  o 26.250  10.968  108.073    116.673  150.125    131.733  -44.9435   251.288  28.678  11.787  25.274  12.355  3.403879       17.07573 
1 1 1 -11 47  7  o 40.871  10.545  287.066    105.270  175.114    142.158  422.994    156.642  29.965  12.272  45.335  13.344  -15.36946      18.12934 
1 1 1 -11 47  8  o 62.971  8.6273  605.308    128.354  605.308    128.354  0.0000     0.0000   62.971  8.6273  ?       ?       0.000000       8.627273 
1 1 1 -11 47  9  o 25.823  10.004  107.461    89.405   107.461    89.405   0.0000     0.0000   25.823  10.004  ?       ?       0.000000       10.00371 
1 1 1 -11 47  10 o 17.290  7.4909  15.550     57.984   176.967    91.683   -92.0515   74.855   31.531  10.361  14.123  6.8683  17.40759       12.43058 
1 1 1 -11 47  11 o 14.487  6.8230  -39.8274   61.947   -10.4808   181.643  -43.6898   65.898   23.289  11.168  14.796  6.9893  8.492224       13.17501 
1 1 1 -11 47  12 o 34.486  10.151  213.127    90.637   221.856    207.578  211.070    100.749  29.438  13.367  33.252  10.858  -3.813387      17.22099 
1 1 1 -11 48  1  o 24.962  10.675  90.973     114.863  93.398     125.374  78.304     286.584  25.301  10.988  27.369  13.339  -2.068987      17.28182 
1 1 1 -11 48  2  o 17.447  8.4797  -105.3792  113.645  -104.2873  127.593  -109.5704  249.976  18.509  8.9932  23.837  11.782  -5.327587      14.82209 
1 1 1 -11 48  3  o 20.714  9.5121  5.3124     109.078  67.846     122.378  -236.3828  240.591  24.027  10.631  21.871  10.932  2.155165       15.24886 
1 1 1 -11 48  4  o 22.022  9.7146  43.024     101.425  -7.0688    109.281  354.332    272.427  20.261  9.3817  33.178  15.160  -12.91654      17.82839 
1 1 1 -11 48  5  o 17.152  7.7715  -5.7101    69.714   -14.9823   102.278  2.3358     95.275   19.474  9.0378  19.701  8.9880  -0.2278156     12.74621 
1 1 1 -11 48  6  o 34.690  8.3241  187.258    69.171   191.017    109.789  184.784    89.073   31.581  11.303  32.448  10.170  -0.8667030     15.20542 
1 1 1 -11 48  7  f 32.100  10.755  190.415    98.647   190.415    98.647   0.0000     0.0000   32.100  10.755  ?       ?       0.000000       10.75453 
1 1 1 -11 48  8  o 28.933  10.675  155.035    98.908   155.035    98.908   0.0000     0.0000   28.933  10.675  ?       ?       0.000000       10.67458 
1 1 1 -11 48  9  o 15.978  7.2791  -9.4673    62.210   -105.4095  166.768  6.0417     67.050   20.395  9.9900  17.355  7.7622  3.040083       12.65116 
1 1 1 -11 48  10 o 14.985  6.9616  -23.7741   60.920   -98.0924   166.561  -12.2970   65.455   20.300  9.9519  16.076  7.3774  4.223892       12.38815 
1 1 1 -11 49  1  o 12.912  6.5281  -269.0751  100.167  -379.8762  111.149  209.962    231.110  ?       ?       29.346  13.608  0.000000       13.60770 
1 1 1 -11 49  2  o 38.905  8.2130  234.105    75.096   348.505    119.098  158.604    96.753   43.577  11.202  29.364  10.599  14.21227       15.42191 
1 1 1 -11 49  3  o 39.534  7.7531  236.100    71.715   278.388    117.049  210.686    90.741   37.743  11.631  34.533  10.154  3.210285       15.43959 
1 1 1 -11 49  4  o 22.577  8.2809  76.593     59.395   101.099    105.981  65.371     71.715   25.061  10.460  21.853  8.8018  3.207603       13.67084 
1 1 1 -11 49  5  o 20.284  8.3130  50.001     65.287   121.965    101.425  -0.9148    85.312   26.266  10.507  18.555  8.4805  7.711023       13.50222 
1 1 1 -11 49  6  o 30.905  13.483  258.190    190.545  258.190    190.545  0.0000     0.0000   30.905  13.483  ?       ?       0.000000       13.48275 
1 1 1 -11 49  7  o 21.215  10.253  -40.4755   160.287  -40.4755   160.287  0.0000     0.0000   21.215  10.253  ?       ?       0.000000       10.25255 
1 1 1 -11 49  8  o 18.018  7.9155  21.408     66.699   -15.6316   169.162  28.227     72.578   21.841  10.549  18.862  8.2725  2.978691       13.40605 
1 1 1 -11 50  1  o 27.061  8.6594  120.570    64.288   159.178    106.347  98.337     80.703   28.606  10.955  24.476  9.4981  4.130413       14.49955 
1 1 1 -11 50  2  o 27.242  8.6024  122.322    63.605   149.233    105.839  107.109    79.578   27.814  10.854  25.144  9.5131  2.670630       14.43290 
1 1 1 -11 50  3  o 20.336  7.9722  56.814     57.299   -27.8207   103.426  94.294     68.826   18.600  8.7769  24.031  8.8969  -5.431307      12.49757 
1 1 1 -11 50  4  o 21.965  9.1590  68.451     81.131   -68.0566   167.645  110.199    92.710   20.786  10.146  24.999  10.029  -4.213259      14.26628 
1 1 1 -11 50  5  o 20.208  9.9139  -84.8975   166.273  -84.8975   166.273  0.0000     0.0000   20.208  9.9139  ?       ?       0.000000       9.913872 
1 1 1 -11 50  6  o 32.145  13.965  356.809    202.647  356.809    202.647  0.0000     0.0000   32.145  13.965  ?       ?       0.000000       13.96539 
1 1 1 -11 51  1  o 23.259  8.8091  88.857     68.279   -51.4914   165.397  117.689    74.965   20.837  10.150  25.779  9.3262  -4.941719      13.78424 
1 1 1 -11 51  2  o 23.137  9.0035  89.143     72.672   300.184    172.022  43.296     80.178   31.903  13.323  20.047  8.7459  11.85630       15.93680 
1 1 1 -11 51  3  o 18.909  8.4183  28.006     77.899   -123.5024  166.252  70.627     88.178   19.175  9.5010  21.815  9.3419  -2.640574      13.32443 
1 1 1 -11 51  4  o 18.566  9.1634  -103.9772  149.285  -103.9772  149.285  0.0000     0.0000   18.566  9.1634  ?       ?       0.000000       9.163418 
1 1 1 -11 52  1  o 14.993  6.9572  -15.1196   60.572   182.736    158.534  -48.9399   65.545   26.220  11.814  14.021  6.7198  12.19949       13.59174 
1 1 1 -11 52  2  o 21.039  8.9859  69.617     81.202   62.543     167.536  71.789     92.835   22.232  10.678  21.366  9.3636  0.8659000      14.20236 
1 1 1 -10 -58 32 o 18.510  8.2920  52.506     76.848   -22.6594   228.808  62.064     81.588   19.361  9.7958  19.100  8.5510  0.2610435      13.00295 
1 1 1 -10 -58 33 o 21.737  8.5253  96.936     65.548   188.836    110.824  47.490     81.290   25.156  10.610  18.369  8.3499  6.786968       13.50184 
1 1 1 -10 -58 34 o 17.461  7.7972  38.211     67.371   1.5914     107.668  61.776     86.369   17.504  8.4451  19.178  8.6735  -1.673859      12.10572 
1 1 1 -10 -58 35 o 31.716  9.2149  208.418    75.130   152.053    104.986  267.581    107.561  23.509  10.132  30.894  11.172  -7.385067      15.08246 
1 1 1 -10 -57 24 o 15.338  7.1008  0.7556     62.566   21.526     91.692   -17.3414   85.588   17.885  8.3844  16.152  7.7248  1.732796       11.40045 
1 1 1 -10 -57 25 o 16.645  7.5455  20.016     65.807   -29.9676   99.165   59.350     87.968   16.594  8.0304  19.535  8.8015  -2.941113      11.91440 
1 1 1 -10 -57 26 o 23.723  8.9172  114.972    69.658   43.215     102.393  176.794    95.041   19.240  8.9672  26.742  10.327  -7.502600      13.67685 
1 1 1 -10 -57 27 o 14.952  7.0290  -14.5548   65.208   46.285     99.566   -60.2499   86.289   19.366  8.9628  15.006  7.3146  4.359954       11.56874 
1 1 1 -10 -57 28 o 24.288  9.0265  120.371    70.979   131.518    109.311  112.246    93.331   23.332  10.195  22.682  9.6592  0.6507015      14.04386 
1 1 1 -10 -57 29 o 19.487  8.3063  60.065     69.134   95.886     106.764  34.200     90.723   21.721  9.7490  18.701  8.6199  3.019693       13.01334 
1 1 1 -10 -57 30 o 18.772  8.4727  41.484     81.937   -90.4127   236.628  59.453     87.340   19.918  10.067  19.844  8.8685  0.7357407E-01  13.41604 
1 1 1 -10 -57 31 o 20.042  8.6509  65.616     76.761   -67.6448   224.494  83.259     81.685   20.005  10.074  21.194  9.0314  -1.189234      13.52964 
1 1 1 -10 -57 32 o 21.471  9.0970  87.198     82.055   210.401    240.116  70.908     87.311   23.709  11.687  20.509  9.0321  3.200096       14.77038 
1 1 1 -10 -57 33 o 15.924  7.5705  -21.5608   79.727   13.172     228.234  -26.3880   85.087   21.048  10.539  16.123  7.7083  4.925291       13.05723 
1 1 1 -10 -57 34 o 18.913  8.6692  37.129     90.022   75.588     178.401  23.990     104.271  21.586  10.521  18.890  8.8827  2.696497       13.76932 
1 1 1 -10 -57 35 o 17.345  8.1596  1.7294     88.127   30.972     173.664  -8.4126    102.274  20.665  10.137  17.711  8.4630  2.954142       13.20544 
1 1 1 -10 -57 36 o 15.743  7.5091  -26.4306   79.769   -56.2786   169.939  -17.9956   90.339   19.056  9.4703  16.746  7.9886  2.309896       12.38969 
1 1 1 -10 -57 37 o 19.294  8.2553  56.358     68.754   49.068     98.162   63.378     96.330   19.652  9.0242  20.250  9.1590  -0.5984612     12.85775 
1 1 1 -10 -57 38 o 18.343  7.9905  43.544     66.702   37.827     98.506   48.385     90.646   19.166  8.8859  19.394  8.8163  -0.2282181     12.51745 
1 1 1 -10 -57 39 o 19.726  8.1601  64.142     63.671   -1.7447    96.519   114.905    84.720   17.576  8.3483  23.207  9.4856  -5.630968      12.63612 
1 1 1 -10 -57 40 o 16.977  7.6180  23.784     65.145   24.437     98.279   23.272     87.006   18.553  8.6922  18.057  8.3647  0.4959278      12.06323 
1 1 1 -10 -57 41 o 21.929  9.7322  102.375    103.303  102.375    103.303  0.0000     0.0000   21.929  9.7322  ?       ?       0.000000       9.732199 
1 1 1 -10 -57 42 f 18.718  8.6465  37.094     92.022   90.341     110.560  -82.9674   166.018  21.253  9.6905  18.234  9.1089  3.018778       13.29954 
1 1 1 -10 -57 43 o 18.250  7.3631  51.548     50.280   160.681    109.714  22.535     56.570   24.526  10.459  16.233  7.2031  8.293015       12.69977 
1 1 1 -10 -56 19 o 19.391  8.0100  61.499     61.223   -19.8234   97.399   114.620    78.720   16.931  8.1349  23.279  9.2747  -6.348156      12.33684 
1 1 1 -10 -56 20 o 14.296  6.7788  -26.7446   63.115   25.917     97.732   -64.4187   82.664   18.656  8.7172  14.687  7.1593  3.968967       11.28026 
1 1 1 -10 -56 21 o 20.259  8.1799  69.225     62.104   57.094     96.329   77.854     81.243   20.050  9.1046  20.954  8.9698  -0.9036102     12.78088 
1 1 1 -10 -56 22 o 18.075  7.8150  39.632     62.851   -115.7332  100.865  138.250    80.360   14.909  7.3899  25.621  9.5881  -10.71169      12.10544 
1 1 1 -10 -56 23 o 27.763  8.7424  144.224    65.730   26.721     92.872   262.155    93.042   18.799  8.6850  35.659  10.224  -16.85969      13.41502 
1 1 1 -10 -56 24 o 16.104  7.2057  13.255     57.850   59.775     77.758   -44.4142   86.576   20.045  8.6796  15.833  7.6226  4.212385       11.55162 
1 1 1 -10 -56 25 o 17.212  7.6511  23.101     64.096   -31.2417   95.982   66.840     86.111   16.945  8.1241  20.703  9.0470  -3.758144      12.15934 
1 1 1 -10 -56 26 o 47.276  7.2575  352.681    80.591   379.796    117.934  328.927    110.385  41.785  11.342  38.904  11.131  2.880428       15.89113 
1 1 1 -10 -56 27 o 21.373  8.6343  77.934     69.237   130.196    104.783  37.433     92.243   24.410  10.308  19.472  8.8679  4.938423       13.59732 
1 1 1 -10 -56 28 o 10.185  5.0745  -101.9130  50.086   -112.8520  91.620   -97.2503   59.816   14.449  7.1402  11.619  5.7467  2.830198       9.165478 
1 1 1 -10 -56 29 o 17.778  7.6884  33.121     60.862   37.111     103.813  31.032     75.127   19.942  9.2022  18.439  8.2339  1.503387       12.34815 
1 1 1 -10 -56 30 o 20.794  8.3340  70.211     63.949   -13.6563   99.552   129.130    83.441   17.884  8.4900  25.249  9.6960  -7.365000      12.88768 
1 1 1 -10 -56 31 o 18.426  7.9808  38.203     65.779   81.243     107.512  12.453     83.159   21.993  9.8333  17.978  8.2741  4.015142       12.85122 
1 1 1 -10 -56 32 o 20.572  8.5946  65.732     71.636   196.879    107.312  -39.6859   96.212   28.837  11.014  16.847  8.0920  11.99011       13.66729 
1 1 1 -10 -56 33 o 15.969  7.4171  -9.3139    69.089   -39.1780   97.304   21.050     98.115   16.941  8.1374  19.131  8.8693  -2.190115      12.03663 
1 1 1 -10 -56 34 o 19.746  8.8906  42.665     89.581   44.277     173.531  42.080     104.595  21.876  10.596  20.242  9.3025  1.634535       14.09999 
1 1 1 -10 -56 35 o 17.924  8.4073  -2.2193    92.416   163.180    165.441  -77.2390   111.420  24.957  11.552  16.798  8.2148  8.158998       14.17465 
1 1 1 -10 -56 36 o 22.650  9.6505  94.662     93.242   29.026     176.998  119.873    109.699  21.605  10.519  23.938  10.337  -2.332623      14.74836 
1 1 1 -10 -56 37 o 19.086  8.9040  16.526     101.344  0.0000     0.0000   16.526     101.344  ?       ?       19.086  8.9040  0.000000       8.904034 
1 1 1 -10 -56 38 o 19.588  8.6976  45.300     82.602   83.771     157.990  30.828     96.901   22.583  10.713  19.456  8.9460  3.127277       13.95725 
1 1 1 -10 -56 39 o 25.851  12.061  209.855    186.056  209.855    186.056  0.0000     0.0000   25.851  12.061  ?       ?       0.000000       12.06144 
1 1 1 -10 -56 40 o 18.574  8.5982  16.761     91.707   16.761     91.707   0.0000     0.0000   18.574  8.5982  ?       ?       0.000000       8.598200 
1 1 1 -10 -56 41 f 18.542  7.8073  44.748     59.839   -26.5225   91.004   99.034     79.423   16.848  8.0320  22.915  9.2511  -6.066999      12.25136 
1 1 1 -10 -56 42 o 12.995  5.7812  1.0136     36.665   -26.1041   94.534   5.8152     39.779   17.053  8.1453  13.798  6.0853  3.255475       10.16744 
1 1 1 -10 -56 43 o 20.634  7.1601  68.690     43.800   233.605    97.341   26.825     49.045   32.484  10.676  16.409  6.9954  16.07520       12.76358 
1 1 1 -10 -56 44 o 19.091  7.6582  55.129     54.050   74.456     111.399  49.178     61.814   21.340  9.7290  18.821  7.9304  2.519361       12.55174 
1 1 1 -10 -56 45 o 14.530  6.5989  -0.0703    50.629   99.926     107.599  -28.5050   57.377   22.332  9.9206  13.734  6.4978  8.598200       11.85921 
1 1 1 -10 -56 46 o 16.554  7.1502  27.411     52.506   37.267     113.634  24.736     59.205   19.730  9.2762  16.809  7.4182  2.920666       11.87764 
1 1 1 -10 -55 16 o 27.565  9.1584  149.531    71.564   164.202    109.963  138.751    94.256   25.710  10.687  24.870  10.065  0.8390656      14.68012 
1 1 1 -10 -55 17 o 15.916  7.2593  4.0179     62.100   94.392     92.959   -68.8190   83.454   22.294  9.5706  14.837  7.2235  7.457390       11.99065 
1 1 1 -10 -55 18 o 36.959  8.3722  234.245    73.340   210.211    112.066  252.251    96.996   29.090  11.219  34.481  10.581  -5.390987      15.42207 
1 1 1 -10 -55 19 f 18.809  8.0171  44.721     64.396   52.537     102.200  39.574     82.929   20.578  9.3573  19.295  8.6310  1.283180       12.73003 
1 1 1 -10 -55 20 o 22.895  8.5123  92.026     63.137   73.776     97.545   105.183    82.827   21.595  9.5266  23.540  9.4669  -1.944809      13.43047 
1 1 1 -10 -55 21 o 28.003  8.6338  139.801    64.489   160.539    94.244   121.539    88.436   27.377  10.354  24.701  9.8339  2.675465       14.27972 
1 1 1 -10 -55 22 o 22.624  8.3822  87.476     61.116   38.320     86.143   137.295    86.721   19.572  8.7729  26.080  9.9156  -6.507645      13.23948 
1 1 1 -10 -55 23 o 13.418  6.3500  -34.0678   54.848   -66.4844   74.546   4.1949     80.989   14.340  6.9455  17.662  8.1421  -3.321371      10.70204 
1 1 1 -10 -55 24 o 31.720  8.5437  173.470    67.228   197.006    93.661   148.457    96.556   30.756  10.478  26.576  10.368  4.179522       14.74090 
1 1 1 -10 -55 25 o 33.579  8.2693  188.794    66.930   219.609    93.493   156.402    95.856   32.906  10.434  27.263  10.411  5.643198       14.73906 
1 1 1 -10 -55 26 o 15.339  6.9822  -3.2482    57.088   -68.6287   78.415   70.481     83.271   14.694  7.1186  21.472  9.1334  -6.777324      11.57993 
1 1 1 -10 -55 27 o 18.432  7.5985  42.347     54.946   -1.7532    82.536   77.448     73.634   17.588  8.1472  21.834  8.8744  -4.245205      12.04712 
1 1 1 -10 -55 28 o 12.407  5.9382  -45.3528   50.781   -3.8360    73.718   -82.8428   70.052   16.840  7.7649  13.397  6.5433  3.443004       10.15423 
1 1 1 -10 -55 29 o 21.760  8.2551  76.880     60.023   135.407    87.117   23.987     82.818   26.193  9.9431  18.846  8.5109  7.347277       13.08821 
1 1 1 -10 -55 30 o 15.196  6.8921  -2.3455    54.986   -17.3487   92.133   5.9546     68.528   17.642  8.3126  16.934  7.6855  0.7085991      11.32107 
1 1 1 -10 -55 31 f 18.340  8.0559  29.284     69.062   50.507     100.997  10.646     94.650   20.947  9.4348  18.910  8.7473  2.036045       12.86587 
1 1 1 -10 -55 32 o 21.513  8.6394  73.388     68.872   139.481    100.558  14.993     94.521   25.994  10.439  19.091  8.7993  6.902653       13.65294 
1 1 1 -10 -55 33 o 16.748  7.5453  8.1393     64.633   11.606     93.684   4.9902     89.286   18.909  8.7310  18.370  8.4967  0.5388050      12.18299 
1 1 1 -10 -55 34 o 16.437  7.4358  4.3458     63.531   9.9988     88.162   -1.7610    91.632   18.523  8.5231  18.238  8.4945  0.2853107      12.03321 
1 1 1 -10 -55 35 o 13.225  6.3646  -55.5123   60.201   -36.2372   87.187   -73.0760   83.226   16.609  7.9022  15.047  7.3001  1.561609       10.75811 
1 1 1 -10 -55 36 o 20.123  8.1877  57.942     62.760   -18.1535   95.903   114.940    83.001   17.888  8.4443  24.764  9.6261  -6.875433      12.80505 
1 1 1 -10 -55 37 o 17.022  7.8309  -1.8712    74.384   -38.7733   161.469  8.0696     83.806   20.430  9.9689  18.169  8.3415  2.260738       12.99839 
1 1 1 -10 -55 38 o 38.909  15.440  572.559    217.350  572.559    217.350  0.0000     0.0000   38.909  15.440  ?       ?       0.000000       15.43976 
1 1 1 -10 -55 39 o 18.047  8.8877  -104.2316  137.790  -104.2316  137.790  0.0000     0.0000   18.047  8.8877  ?       ?       0.000000       8.887703 
1 1 1 -10 -55 40 o 39.336  10.317  295.755    99.695   376.537    181.262  260.719    119.372  33.703  13.837  33.296  11.800  0.4071884      18.18504 
1 1 1 -10 -55 41 o 27.748  9.3313  143.447    74.267   103.425    175.911  152.128    81.926   23.978  11.354  27.958  9.7874  -3.980415      14.99048 
1 1 1 -10 -55 42 o 15.261  6.3379  21.422     38.626   -72.3713   85.540   45.445     43.291   15.236  7.3937  18.163  6.9817  -2.926793      10.16916 
1 1 1 -10 -55 43 o 32.578  6.4675  158.611    49.321   101.639    101.878  176.051    56.367   23.470  10.046  33.699  7.1167  -10.22925      12.31114 
1 1 1 -10 -55 44 f 30.743  6.5431  142.592    47.309   102.035    99.762   154.358    53.736   23.427  9.9818  31.344  7.2150  -7.917358      12.31636 
1 1 1 -10 -55 45 o 17.477  6.9000  39.913     43.205   54.856     96.325   36.149     48.341   20.775  9.2969  17.405  7.1454  3.370419       11.72560 
1 1 1 -10 -55 46 o 12.917  6.0976  -30.8139   50.017   48.657     109.117  -51.9534   56.278   20.781  9.5323  12.779  6.1506  8.002489       11.34439 
1 1 1 -10 -55 47 o 36.154  9.1132  235.750    79.921   0.0000     0.0000   235.750    79.921   ?       ?       36.154  9.1132  0.000000       9.113226 
1 1 1 -10 -55 48 o 26.125  9.1019  130.611    70.812   0.0000     0.0000   130.611    70.812   ?       ?       26.125  9.1019  0.000000       9.101944 
1 1 1 -10 -55 49 o 18.725  8.1083  43.617     67.867   0.0000     0.0000   43.617     67.867   ?       ?       18.725  8.1083  0.000000       8.108276 
1 1 1 -10 -54 13 o 26.806  8.8515  133.892    66.887   91.275     104.850  163.136    86.855   22.338  9.8644  27.765  10.040  -5.427629      14.07476 
1 1 1 -10 -54 14 o 14.920  6.9098  -12.6025   59.324   72.117     88.375   -82.0873   80.036   21.350  9.2489  14.301  6.9869  7.049349       11.59131 
1 1 1 -10 -54 15 o 11.792  5.7581  -71.2129   54.162   -12.9342   84.128   -112.4684  70.783   17.107  8.0233  12.567  6.2222  4.539463       10.15326 
1 1 1 -10 -54 16 o 18.197  7.9043  32.150     64.894   60.784     100.681  11.801     84.878   21.307  9.5219  18.309  8.4017  2.997154       12.69866 
1 1 1 -10 -54 17 o 21.047  8.4159  68.632     65.050   45.199     102.711  84.326     84.057   20.750  9.4144  22.454  9.3393  -1.703804      13.26101 
1 1 1 -10 -54 18 o 30.790  9.1093  169.684    72.831   74.682     106.176  254.109    100.090  22.309  9.8852  35.500  10.719  -13.19095      14.58144 
1 1 1 -10 -54 19 o 33.423  8.7038  190.779    71.283   244.573    106.797  147.558    95.728   33.845  11.185  26.947  10.376  6.898537       15.25667 
1 1 1 -10 -54 20 o 18.693  7.7724  41.755     58.189   99.801     84.658   -10.2245   80.113   23.756  9.5649  17.179  7.9815  6.577662       12.45760 
1 1 1 -10 -54 21 o 22.492  8.3058  82.389     59.909   102.309    85.049   62.770     84.402   23.977  9.6105  21.289  9.1288  2.687737       13.25508 
1 1 1 -10 -54 22 o 14.182  6.5968  -21.8571   54.984   27.028     73.653   -83.3983   82.639   18.651  8.2503  14.775  7.1924  3.875748       10.94527 
1 1 1 -10 -54 23 o 12.666  6.0474  -45.0097   51.999   -75.5275   70.496   -8.5901    77.011   13.781  6.6932  17.051  7.8882  -3.270329      10.34521 
1 1 1 -10 -54 24 o 23.659  8.6234  94.296     64.266   96.094     92.925   92.648     88.974   23.586  9.8157  23.345  9.6507  0.2416954      13.76533 
1 1 1 -10 -54 25 o 16.653  7.2860  16.438     56.001   6.3766     76.630   27.970     82.042   17.752  8.0838  19.230  8.5945  -1.478474      11.79890 
1 1 1 -10 -54 26 o 17.222  7.4083  24.410     55.905   -84.2080   81.901   119.172    76.498   14.693  7.1540  25.625  9.3980  -10.93267      11.81108 
1 1 1 -10 -54 27 o 19.172  7.7638  48.044     56.125   109.458    81.131   -8.3211    77.725   24.644  9.5344  17.125  7.9233  7.518923       12.39693 
1 1 1 -10 -54 28 o 28.688  8.4842  139.531    63.188   53.872     91.066   219.066    87.750   21.036  9.2451  34.267  9.9596  -13.23090      13.58915 
1 1 1 -10 -54 29 o 21.053  8.8279  62.372     75.993   95.470     82.848   -113.1802  190.803  23.537  9.4673  20.395  10.118  3.142818       13.85672 
1 1 1 -10 -54 30 o 18.931  8.3402  30.554     74.520   76.322     79.954   -272.2166  205.645  22.129  9.1483  18.867  9.5187  3.261333       13.20211 
1 1 1 -10 -54 31 o 17.646  7.6849  23.994     61.668   60.314     79.395   -31.2439   97.911   21.025  8.9303  17.735  8.4193  3.290131       12.27331 
1 1 1 -10 -54 32 o 16.785  7.4185  13.864     59.421   72.122     75.745   -79.3677   95.820   21.758  8.9399  16.075  7.8068  5.682999       11.86879 
1 1 1 -10 -54 33 o 16.485  7.5196  -2.2767    66.662   72.402     94.100   -77.5086   94.449   22.181  9.5763  16.020  7.7732  6.160864       12.33406 
1 1 1 -10 -54 34 o 19.673  8.2649  47.751     66.816   17.462     94.743   77.720     94.242   19.449  8.9070  22.501  9.6473  -3.052250      13.13031 
1 1 1 -10 -54 35 o 14.592  6.7391  -16.5727   55.848   -48.8583   87.405   5.7030     72.602   16.345  7.8139  17.426  7.9096  -1.081369      11.11843 
1 1 1 -10 -54 36 o 28.640  9.0623  144.971    70.560   191.213    100.982  100.855    98.633   30.342  10.843  23.954  10.052  6.388088       14.78501 
1 1 1 -10 -54 37 o 18.420  8.5513  -2.9427    91.666   -2.9427    91.666   0.0000     0.0000   18.420  8.5513  ?       ?       0.000000       8.551271 
1 1 1 -10 -54 38 o 21.091  8.9196  60.631     78.653   69.879     89.162   28.193     166.989  21.983  9.4033  22.533  10.780  -0.5500088     14.30485 
1 1 1 -10 -54 39 o 18.189  7.8528  29.399     63.275   94.406     90.433   -32.9502   88.564   23.574  9.7362  17.039  8.0650  6.534842       12.64265 
1 1 1 -10 -54 40 o 27.596  9.1921  135.705    72.076   143.382    158.877  133.715    80.878   25.917  11.739  26.858  9.6915  -0.9402847     15.22239 
1 1 1 -10 -54 41 o 19.587  8.1438  47.778     63.882   -68.2557   170.458  66.738     68.904   20.565  10.079  21.271  8.6063  -0.7062340     13.25329 
1 1 1 -10 -54 42 f 16.833  7.5718  6.2403     64.799   -40.4371   172.439  13.915     69.923   21.178  10.327  17.704  7.9219  3.474400       13.01547 
1 1 1 -10 -54 43 o 18.073  7.0556  42.272     44.737   25.502     163.276  43.633     46.517   22.378  10.693  18.312  7.1820  4.065496       12.88106 
1 1 1 -10 -54 44 o 19.099  6.9697  52.228     41.998   0.6522     92.299   65.695     47.163   18.606  8.6176  20.800  7.4123  -2.193430      11.36691 
1 1 1 -10 -54 45 o 21.660  7.1776  72.325     43.967   49.337     100.532  77.762     48.890   21.168  9.4835  22.221  7.5705  -1.053152      12.13465 
1 1 1 -10 -54 46 o 32.721  6.5506  158.912    50.194   234.261    108.264  138.281    56.651   33.012  11.266  29.236  7.8294  3.776619       13.71906 
1 1 1 -10 -54 47 o 23.915  7.7582  92.938     51.468   0.0000     0.0000   92.938     51.468   ?       ?       23.915  7.7582  0.000000       7.758168 
1 1 1 -10 -54 48 o 15.581  7.1462  -7.6538    61.306   0.0000     0.0000   -7.6538    61.306   ?       ?       15.581  7.1462  0.000000       7.146186 
1 1 1 -10 -54 49 o 11.122  5.5010  -95.5795   54.808   -156.3412  108.742  -74.8879   63.457   15.116  7.5223  12.895  6.2829  2.220264       9.800968 
1 1 1 -10 -54 50 o 23.864  8.6615  100.559    64.737   129.285    140.383  92.801     72.958   24.498  11.071  22.939  8.9950  1.559526       14.26425 
1 1 1 -10 -54 51 o 16.302  7.3453  8.5594     61.278   141.206    151.595  -17.3477   66.996   24.560  11.254  15.452  7.2190  9.107678       13.37077 
1 1 1 -10 -53 10 o 18.005  8.3315  6.7670     85.979   2.6867     94.041   27.549     212.234  18.305  8.5523  22.327  11.002  -4.021542      13.93499 
1 1 1 -10 -53 11 o 19.273  8.8726  20.222     95.713   -30.4253   105.832  247.704    224.293  17.987  8.5988  26.971  12.786  -8.984051      15.40845 
1 1 1 -10 -53 12 o 18.846  8.6647  13.150     90.867   56.062     99.906   -192.3330  218.621  21.229  9.4865  19.985  10.048  1.244961       13.81863 
1 1 1 -10 -53 13 o 27.463  10.732  158.501    103.578  123.401    117.335  282.408    220.456  24.982  10.739  28.726  13.310  -3.744122      17.10202 
1 1 1 -10 -53 14 o 16.826  7.9673  -33.3292   86.588   -73.5918   95.260   158.086    207.706  16.205  7.8493  26.013  12.324  -9.808737      14.61130 
1 1 1 -10 -53 15 o 18.043  8.3629  -5.3298    87.159   -7.5206    95.021   6.2912     218.842  18.489  8.6241  23.221  11.389  -4.732662      14.28552 
1 1 1 -10 -53 16 o 14.527  7.1131  -100.5718  84.304   -109.0483  93.108   -62.0010   198.612  15.123  7.4192  21.693  10.681  -6.569987      13.00463 
1 1 1 -10 -53 17 o 22.782  9.6508  79.578     92.326   106.679    101.323  -53.0182   224.120  24.527  10.232  22.560  11.152  1.967398       15.13464 
1 1 1 -10 -53 18 o 16.008  7.5431  -33.2696   75.899   -30.3608   80.962   -54.3688   218.053  16.588  7.8088  22.434  11.073  -5.845409      13.54952 
1 1 1 -10 -53 19 o 17.931  8.0747  10.761     73.927   -3.6122    81.706   75.651     173.606  17.812  8.1991  24.167  11.394  -6.355352      14.03732 
1 1 1 -10 -53 20 o 15.044  6.8556  -8.7785    55.237   -39.4204   79.904   19.268     76.445   16.143  7.6466  18.581  8.3010  -2.438229      11.28610 
1 1 1 -10 -53 21 o 21.275  8.1808  67.958     59.449   -11.5606   82.458   154.030    85.788   17.502  8.1200  28.581  10.015  -11.07939      12.89312 
1 1 1 -10 -53 22 o 34.390  8.0782  189.324    66.261   176.302    92.729   202.912    94.718   30.048  10.419  32.255  10.528  -2.206810      14.81149 
1 1 1 -10 -53 23 o 54.327  6.0346  418.219    78.203   374.720    110.809  461.385    110.383  45.642  10.256  53.018  8.8956  -7.375916      13.57606 
1 1 1 -10 -53 24 o 16.959  7.3886  17.967     57.051   36.174     83.443   1.9857     78.178   19.928  8.8002  17.788  8.1255  2.139946       11.97779 
1 1 1 -10 -53 25 o 17.740  7.4488  31.209     54.225   12.117     78.347   48.763     75.127   18.316  8.2742  20.282  8.6524  -1.965858      11.97189 
1 1 1 -10 -53 26 f 22.352  8.1385  78.747     57.221   95.723     83.704   63.853     78.400   23.810  9.5375  21.434  8.9760  2.376396       13.09706 
1 1 1 -10 -53 27 o 15.228  6.8194  0.3274     51.929   38.925     76.771   -32.2270   70.505   19.740  8.5857  15.519  7.2997  4.220931       11.26943 
1 1 1 -10 -53 28 o 18.112  7.5899  34.000     56.112   38.714     80.431   29.531     78.319   19.929  8.7251  19.276  8.5181  0.6530476      12.19369 
1 1 1 -10 -53 29 o 19.394  8.0804  44.588     63.076   21.962     82.122   77.138     98.500   19.100  8.5632  22.802  9.8212  -3.701824      13.03011 
1 1 1 -10 -53 30 o 30.115  8.8808  155.126    69.322   94.945     90.734   239.512    107.443  23.800  9.7824  34.146  11.216  -10.34612      14.88252 
1 1 1 -10 -53 31 o 32.166  8.5826  171.995    68.228   106.592    92.500   250.034    101.042  24.602  9.9656  35.897  10.755  -11.29500      14.66193 
1 1 1 -10 -53 32 o 37.924  8.1511  229.073    72.773   217.085    95.901   245.345    111.736  33.501  10.561  34.173  11.446  -0.6715813     15.57392 
1 1 1 -10 -53 33 o 37.335  8.7866  231.214    78.273   194.764    108.496  270.775    113.033  30.455  11.189  36.166  11.473  -5.711075      16.02532 
1 1 1 -10 -53 34 o 22.538  8.3497  80.363     60.639   40.989     90.493   112.452    81.695   20.587  9.1240  25.202  9.6138  -4.614403      13.25418 
1 1 1 -10 -53 35 o 18.306  8.3830  3.0491     83.906   3.0491     83.906   0.0000     0.0000   18.306  8.3830  ?       ?       0.000000       8.382965 
1 1 1 -10 -53 36 o 28.465  10.573  159.820    97.354   159.820    97.354   0.0000     0.0000   28.465  10.573  ?       ?       0.000000       10.57282 
1 1 1 -10 -53 37 f 24.693  10.096  107.401    96.017   149.440    121.772  38.305     156.116  26.951  11.228  22.843  10.780  4.107809       15.56537 
1 1 1 -10 -53 38 o 13.295  6.3303  -45.4291   56.163   -139.6836  88.179   18.906     72.851   13.969  6.9212  18.340  8.1544  -4.371122      10.69565 
1 1 1 -10 -53 39 o 12.294  5.8420  -40.3538   47.360   -39.2919   85.166   -40.8291   56.982   16.654  7.8904  13.613  6.4510  3.040740       10.19183 
1 1 1 -10 -53 40 o 52.347  6.0760  388.004    75.739   374.241    118.444  397.524    98.512   44.461  11.032  49.955  8.4272  -5.494476      13.88230 
1 1 1 -10 -53 41 o 23.197  8.3221  86.158     59.546   -38.4792   91.706   177.008    78.296   17.244  8.1751  31.645  9.4638  -14.40123      12.50586 
1 1 1 -10 -53 42 o 15.138  6.9580  -14.5990   58.550   28.293     156.240  -21.6065   63.152   22.657  10.721  15.287  7.0972  7.370009       12.85699 
1 1 1 -10 -53 43 o 21.071  8.5908  61.206     69.268   -72.6751   172.458  86.959     75.638   20.902  10.221  23.266  9.1474  -2.363842      13.71684 
1 1 1 -10 -53 44 o 26.455  9.5941  124.499    79.405   258.549    180.592  92.373     88.409   30.584  13.235  23.774  9.7005  6.809433       16.40946 
1 1 1 -10 -53 45 o 16.970  6.9852  28.832     46.347   0.0000     0.0000   28.832     46.347   ?       ?       16.970  6.9852  0.000000       6.985201 
1 1 1 -10 -53 46 o 15.743  6.7406  15.610     45.894   0.0000     0.0000   15.610     45.894   ?       ?       15.743  6.7406  0.000000       6.740649 
1 1 1 -10 -53 47 f 12.109  5.6601  -26.1158   41.264   0.0000     0.0000   -26.1158   41.264   ?       ?       12.109  5.6601  0.000000       5.660129 
1 1 1 -10 -53 48 o 15.822  6.6511  20.017     43.312   -4.6199    99.165   25.825     48.148   19.009  8.8479  16.810  7.0364  2.199150       11.30474 
1 1 1 -10 -53 49 o 20.736  8.0011  63.017     57.015   34.966     98.097   77.327     70.064   20.584  9.2825  22.260  8.7874  -1.675806      12.78212 
1 1 1 -10 -53 50 o 17.626  7.6566  23.654     60.893   -33.8467   136.558  37.925     68.031   19.944  9.5949  19.099  8.1929  0.8447456      12.61689 
1 1 1 -10 -53 51 o 13.837  6.5329  -35.0348   57.448   30.079     135.444  -49.3186   63.437   21.590  10.143  13.934  6.6600  7.656235       12.13435 
1 1 1 -10 -53 52 o 23.916  8.7864  99.147     66.907   55.077     149.525  110.180    74.815   22.512  10.602  24.696  9.2496  -2.184397      14.06948 
1 1 1 -10 -53 53 o 16.339  7.3484  7.3992     60.998   30.181     143.879  2.4074     67.350   21.408  10.176  16.605  7.5682  4.803225       12.68155 
1 1 1 -10 -52 8  o 15.147  7.3274  -68.3174   82.386   -60.6680   87.487   -128.2322  244.849  15.841  7.6354  21.445  10.763  -5.604132      13.19632 
1 1 1 -10 -52 9  o 24.409  9.8625  108.099    90.351   113.904    96.728   68.373     253.025  24.738  10.126  24.452  12.042  0.2857704      15.73393 
1 1 1 -10 -52 10 o 28.859  10.418  164.363    93.461   104.643    103.263  434.900    219.786  24.333  10.252  34.511  14.763  -10.17813      17.97325 
1 1 1 -10 -52 11 o 26.773  10.210  135.649    92.126   208.817    101.036  -225.1546  224.363  32.232  10.884  20.382  10.239  11.84974       14.94305 
1 1 1 -10 -52 12 o 22.873  9.5068  79.955     87.011   149.738    96.204   -233.6979  203.958  27.843  10.477  19.634  9.8496  8.209038       14.37979 
1 1 1 -10 -52 13 o 16.779  7.9429  -39.5391   85.961   -14.7738   94.383   -160.0191  208.175  18.399  8.5867  20.845  10.379  -2.446466      13.47072 
1 1 1 -10 -52 14 o 23.929  9.9849  92.204     96.521   94.812     109.042  82.767     207.454  24.236  10.384  25.201  12.045  -0.9650211     15.90314 
1 1 1 -10 -52 15 o 23.208  9.7390  81.326     92.604   80.493     101.991  85.233     220.979  23.353  10.025  25.452  12.235  -2.098328      15.81770 
1 1 1 -10 -52 16 o 28.507  10.772  159.037    101.938  158.056    116.373  162.270    211.319  27.933  11.226  27.177  12.737  0.7560577      16.97752 
1 1 1 -10 -52 17 o 22.049  9.2682  66.963     84.099   52.947     92.128   137.025    205.976  21.491  9.3754  26.489  12.465  -4.997616      15.59720 
1 1 1 -10 -52 18 o 24.889  9.6535  106.284    83.330   102.607    90.816   125.869    209.598  24.579  9.9030  26.203  12.404  -1.623783      15.87215 
1 1 1 -10 -52 19 o 28.552  9.9145  149.035    83.987   154.981    95.263   128.286    177.962  28.448  10.479  26.123  12.052  2.324623       15.97089 
1 1 1 -10 -52 20 o 21.858  8.9839  67.695     76.523   53.971     87.552   112.106    157.498  21.352  9.2278  25.478  11.597  -4.125759      14.82051 
1 1 1 -10 -52 21 o 40.360  9.8786  284.853    95.957   252.208    111.236  379.806    189.710  35.242  11.403  35.720  14.341  -0.4781189     18.32144 
1 1 1 -10 -52 22 o 31.358  10.218  183.118    89.249   175.061    104.961  204.151    169.587  29.544  10.977  28.904  12.662  0.6395569      16.75760 
1 1 1 -10 -52 23 f 17.414  7.8861  1.9816     71.679   -5.6643    81.149   29.124     152.895  17.826  8.1928  22.760  10.719  -4.933949      13.49146 
1 1 1 -10 -52 24 o 16.764  7.6801  -8.5762    70.525   -3.3901    79.764   -27.1536   150.966  17.829  8.1679  21.177  10.162  -3.347452      13.03799 
1 1 1 -10 -52 25 o 21.967  9.0323  68.178     77.391   76.712     88.882   41.425     157.364  22.856  9.5632  23.288  10.939  -0.4319096     14.52950 
1 1 1 -10 -52 26 o 12.706  6.0369  -42.6307   50.537   -118.1589  73.266   25.922     69.800   13.000  6.4169  18.691  8.1571  -5.691038      10.37856 
1 1 1 -10 -52 27 o 18.936  7.6967  42.296     55.387   18.054     79.480   65.183     77.226   18.930  8.4600  21.768  8.9942  -2.837450      12.34777 
1 1 1 -10 -52 28 o 24.426  8.4692  96.358     61.274   137.516    78.068   30.326     98.884   27.926  9.5662  20.725  9.3353  7.200281       13.36642 
1 1 1 -10 -52 29 o 27.630  8.7001  126.858    65.097   200.441    84.744   20.943     101.671  33.666  9.7882  20.458  9.3144  13.20798       13.51177 
1 1 1 -10 -52 30 o 36.609  8.0541  209.651    69.601   163.905    91.927   271.099    106.543  29.560  10.366  37.729  10.977  -8.168507      15.09817 
1 1 1 -10 -52 31 o 35.525  8.0020  197.193    67.319   269.614    90.715   108.427    100.431  39.873  9.5099  25.129  10.306  14.74387       14.02318 
1 1 1 -10 -52 32 f 34.775  8.1572  190.947    67.641   208.735    91.210   169.208    100.830  33.793  10.239  29.503  10.794  4.290075       14.87795 
1 1 1 -10 -52 33 o 18.826  7.8745  36.897     60.239   141.085    83.190   -77.9520   87.343   28.030  9.8598  15.674  7.5730  12.35571       12.43242 
1 1 1 -10 -52 34 o 32.874  10.748  207.147    98.711   207.147    98.711   0.0000     0.0000   32.874  10.748  ?       ?       0.000000       10.74812 
1 1 1 -10 -52 35 o 30.770  10.542  179.757    94.807   179.757    94.807   0.0000     0.0000   30.770  10.542  ?       ?       0.000000       10.54201 
1 1 1 -10 -52 36 o 18.423  7.7611  32.718     59.182   -13.2952   86.006   74.099     81.562   17.934  8.3106  22.571  9.2757  -4.636915      12.45405 
1 1 1 -10 -52 37 o 16.795  7.0840  22.845     49.402   -8.8436    85.593   38.675     60.495   18.094  8.3516  18.982  7.9114  -0.8879795     11.50385 
1 1 1 -10 -52 38 o 18.457  8.6853  -26.7001   100.003  -33.4642   116.255  -7.4532    196.102  19.307  9.1681  23.247  11.261  -3.939445      14.52094 
1 1 1 -10 -52 39 o 18.632  7.6609  38.394     55.671   96.785     90.789   3.2090     70.475   24.300  9.8626  17.424  7.8617  6.875866       12.61261 
1 1 1 -10 -52 40 o 38.278  7.3169  219.743    65.481   174.980    105.050  248.187    83.740   29.703  10.993  38.727  9.0707  -9.024332      14.25188 
1 1 1 -10 -52 41 o 41.085  5.5348  232.744    53.772   398.080    107.441  177.492    62.110   49.013  9.3759  33.914  7.7210  15.09997       12.14581 
1 1 1 -10 -52 42 o 14.887  6.3096  13.612     39.495   -37.1404   90.858   25.436     43.854   17.377  8.2079  16.496  6.7930  0.8804607      10.65430 
1 1 1 -10 -52 43 o 28.879  8.3128  134.794    61.397   67.089     95.261   182.904    80.300   22.531  9.6807  32.393  9.5597  -9.862680      13.60531 
1 1 1 -10 -52 44 o 23.883  9.2646  91.712     76.762   0.0000     0.0000   91.712     76.762   ?       ?       23.883  9.2646  0.000000       9.264630 
1 1 1 -10 -52 45 o 20.373  8.5597  47.987     71.675   0.0000     0.0000   47.987     71.675   ?       ?       20.373  8.5597  0.000000       8.559672 
1 1 1 -10 -52 46 o 14.586  6.8475  -34.5943   61.518   0.0000     0.0000   -34.5943   61.518   ?       ?       14.586  6.8475  0.000000       6.847456 
1 1 1 -10 -52 47 f 28.882  7.1563  125.636    49.894   150.861    97.865   116.777    57.997   28.324  10.585  27.036  8.1587  1.287798       13.36410 
1 1 1 -10 -52 48 o 14.585  6.3240  7.2455     41.391   -107.3241  89.337   38.561     46.706   15.040  7.3550  18.069  7.1613  -3.028967      10.26552 
1 1 1 -10 -52 49 o 11.576  5.4856  -36.4072   41.208   -58.5112   88.054   -30.2086   46.629   16.390  7.8377  12.781  5.9878  3.608908       9.863250 
1 1 1 -10 -52 50 o 15.117  6.4752  12.280     42.386   47.301     97.097   4.0358     47.111   21.482  9.4892  15.031  6.6262  6.451061       11.57378 
1 1 1 -10 -52 51 o 18.813  8.1072  31.073     67.190   14.839     141.707  35.781     76.314   21.942  10.330  19.704  8.5652  2.238052       13.41873 
1 1 1 -10 -52 52 o 18.781  8.0055  34.490     64.214   23.786     146.856  37.021     71.402   22.247  10.486  19.409  8.3608  2.838116       13.41123 
1 1 1 -10 -52 53 o 12.357  6.0557  -88.3209   61.500   43.885     137.798  -121.2050  68.724   22.405  10.429  12.301  6.0977  10.10407       12.08089 
1 1 1 -10 -52 54 o 18.837  7.9055  40.552     61.028   186.012    142.834  8.0675     67.499   27.839  11.905  17.145  7.7186  10.69414       14.18804 
1 1 1 -10 -51 5  o 15.483  7.1714  -15.7156   63.931   11.757     87.004   -47.9573   94.255   18.667  8.5440  16.863  8.0757  1.804543       11.75654 
1 1 1 -10 -51 6  o 23.347  8.9761  90.600     71.564   117.137    98.145   60.470     104.576  25.136  10.234  21.984  9.7725  3.151775       14.15075 
1 1 1 -10 -51 7  o 26.658  9.3458  125.286    74.713   104.692    103.475  147.715    107.989  24.572  10.302  27.233  10.859  -2.661335      14.96836 
1 1 1 -10 -51 8  o 24.631  9.1366  101.523    72.654   133.599    99.864   65.453     105.897  26.690  10.505  22.637  9.9587  4.052946       14.47541 
1 1 1 -10 -51 9  o 52.040  6.5098  387.853    80.401   421.865    123.293  362.689    106.052  48.319  10.789  46.168  9.7717  2.150486       14.55642 
1 1 1 -10 -51 10 o 19.368  7.9240  43.820     59.192   97.299     88.310   0.1935     79.762   24.420  9.7913  18.103  8.2452  6.316896       12.80048 
1 1 1 -10 -51 11 o 23.217  8.5592  83.800     63.570   128.073    96.890   50.338     84.235   26.676  10.392  21.207  9.1073  5.469091       13.81783 
1 1 1 -10 -51 12 o 26.933  8.7963  119.718    66.122   112.944    102.874  124.486    86.312   25.620  10.460  26.643  9.9435  -1.023567      14.43202 
1 1 1 -10 -51 13 o 25.501  8.6439  105.655    63.734   -77.5556   94.872   256.348    86.041   16.444  7.9322  39.450  9.1638  -23.00592      12.12002 
1 1 1 -10 -51 14 o 27.727  8.6480  126.190    64.491   107.462    101.587  138.834    83.468   25.227  10.358  27.958  9.8717  -2.731100      14.30851 
1 1 1 -10 -51 15 o 16.309  7.2643  3.6465     58.080   10.902     92.968   -0.9982    74.382   19.600  8.9171  17.611  7.9983  1.989120       11.97863 
1 1 1 -10 -51 16 o 21.513  8.1381  67.340     58.229   37.987     80.095   100.245    84.802   20.225  8.7833  24.667  9.6897  -4.441708      13.07811 
1 1 1 -10 -51 17 o 26.804  8.2481  115.150    58.889   62.641     81.445   172.677    85.247   21.875  9.1537  31.036  9.9759  -9.160809      13.53915 
1 1 1 -10 -51 18 o 13.116  6.1784  -36.1442   50.851   -54.8043   69.112   -14.1175   75.088   14.634  6.9828  17.029  7.8466  -2.394576      10.50368 
1 1 1 -10 -51 19 o 41.976  6.9507  257.165    68.315   328.971    96.250   184.268    96.978   44.955  9.1353  31.242  10.662  13.71385       14.04053 
1 1 1 -10 -51 20 o 36.001  7.7528  198.044    65.722   180.771    94.048   214.529    91.880   31.183  10.501  34.552  10.234  -3.368675      14.66250 
1 1 1 -10 -51 21 o 34.764  9.4114  204.260    81.332   170.677    92.864   314.852    168.519  30.403  10.433  35.073  13.693  -4.669416      17.21479 
1 1 1 -10 -51 22 o 20.552  8.7278  45.504     75.808   -5.4737    87.121   204.443    153.833  18.519  8.5033  30.104  12.587  -11.58460      15.19024 
1 1 1 -10 -51 23 o 13.961  6.6966  -61.8970   65.398   -79.6929   73.766   3.4611     141.366  14.313  6.9266  22.029  10.354  -7.715537      12.45704 
1 1 1 -10 -51 24 f 27.109  9.7608  126.512    81.983   71.924     95.397   280.716    160.336  23.115  9.8019  34.006  13.335  -10.89116      16.54956 
1 1 1 -10 -51 25 o 26.134  9.5808  114.558    79.492   127.393    92.128   77.160     157.260  26.971  10.228  25.018  11.464  1.952814       15.36358 
1 1 1 -10 -51 26 o 21.965  9.1010  62.124     79.386   28.394     90.086   179.339    167.936  20.467  9.0856  28.974  12.648  -8.506554      15.57338 
1 1 1 -10 -51 27 o 20.812  8.9237  43.682     80.647   36.085     87.731   85.101     204.852  20.764  9.1010  26.185  12.355  -5.421072      15.34509 
1 1 1 -10 -51 28 o 12.179  6.0074  -109.8925  63.800   -98.6315   69.115   -174.7824  165.909  13.193  6.4558  19.324  9.5601  -6.130661      11.53572 
1 1 1 -10 -51 29 o 17.315  7.9304  -11.3319   75.125   -7.6924    81.957   -30.4721   187.949  18.105  8.2889  23.138  11.162  -5.032623      13.90299 
1 1 1 -10 -51 30 o 22.613  8.4660  75.468     62.664   46.744     80.685   119.132    99.479   21.044  8.9720  26.398  10.455  -5.353714      13.77680 
1 1 1 -10 -51 31 o 27.660  8.4622  121.930    62.089   117.538    83.973   127.228    92.218   26.426  9.8185  27.082  10.242  -0.6563950     14.18828 
1 1 1 -10 -51 32 o 14.576  6.7385  -23.4711   56.050   22.068     72.972   -88.9964   87.533   18.985  8.3113  15.543  7.5275  3.441781       11.21341 
1 1 1 -10 -51 33 f 13.140  6.4684  -115.6548  72.735   -115.6548  72.735   0.0000     0.0000   13.140  6.4684  ?       ?       0.000000       6.468401 
1 1 1 -10 -51 34 o 21.637  8.9153  59.158     75.592   72.656     86.905   17.198     153.222  23.010  9.5271  23.101  10.833  -0.9150314E-01 14.42608 
1 1 1 -10 -51 35 o 19.936  8.4997  37.648     72.421   14.264     82.098   119.660    153.750  19.214  8.5916  26.652  11.848  -7.437956      14.63554 
1 1 1 -10 -51 36 o 28.003  9.4160  132.314    75.621   265.815    93.235   -124.3692  129.282  39.752  9.7421  18.054  8.8330  21.69872       13.15033 
1 1 1 -10 -51 37 o 25.707  9.3145  108.550    74.819   122.794    96.270   86.824     118.896  26.606  10.360  24.620  10.697  1.985929       14.89128 
1 1 1 -10 -51 38 o 11.650  5.5754  -47.7281   44.751   70.097     80.674   -100.0989  53.785   22.569  9.2442  11.068  5.4699  11.50099       10.74130 
1 1 1 -10 -51 39 o 17.487  7.3017  26.909     51.665   100.771    88.281   -11.5660   63.716   24.944  9.8584  16.101  7.3474  8.842699       12.29520 
1 1 1 -10 -51 40 o 23.804  7.3107  85.317     46.289   146.250    97.413   67.546     52.608   28.281  10.562  21.540  7.8096  6.740803       13.13552 
1 1 1 -10 -51 41 o 33.860  6.1688  162.104    48.815   284.490    96.572   120.102    56.574   40.938  9.8432  27.703  7.9813  13.23549       12.67237 
1 1 1 -10 -51 42 o 34.385  6.0981  166.585    49.014   79.479     103.441  191.804    55.659   23.758  10.145  36.611  6.5038  -12.85348      12.05034 
1 1 1 -10 -51 43 o 19.833  7.5360  52.748     50.072   0.0000     0.0000   52.748     50.072   ?       ?       19.833  7.5360  0.000000       7.536013 
1 1 1 -10 -51 44 o 20.177  7.4694  56.448     48.509   0.0000     0.0000   56.448     48.509   ?       ?       20.177  7.4694  0.000000       7.469383 
1 1 1 -10 -51 45 o 24.758  9.0801  98.826     71.411   100.485    182.093  98.524     77.629   26.086  12.090  24.697  9.3835  1.389565       15.30414 
1 1 1 -10 -51 46 o 16.242  7.2359  2.1871     57.654   -9.3902    120.143  5.6507     65.714   20.591  9.6354  17.282  7.7102  3.309338       12.34054 
1 1 1 -10 -51 47 o 28.529  9.2585  136.980    73.297   266.580    146.227  93.490     84.707   34.131  12.900  24.358  9.6473  9.772871       16.10837 
1 1 1 -10 -51 48 o 22.136  7.5703  72.663     48.890   -91.8754   130.486  99.533     52.731   18.871  9.1520  25.397  7.8033  -6.526134      12.02703 
1 1 1 -10 -51 49 o 20.850  7.4095  62.168     47.095   223.517    99.756   15.893     53.423   34.859  10.737  16.779  7.2299  18.08037       12.94387 
1 1 1 -10 -51 50 o 23.142  7.5414  80.699     48.611   124.036    97.352   66.304     56.107   26.647  10.407  21.499  8.0183  5.147635       13.13732 
1 1 1 -10 -51 51 o 30.083  7.1368  134.808    51.308   258.758    104.102  95.038     58.967   37.499  10.833  24.588  8.3145  12.91110       13.65610 
1 1 1 -10 -51 52 o 43.399  8.0932  289.537    82.090   183.198    170.338  321.705    93.687   28.796  12.650  44.773  8.9368  -15.97761      15.48838 
1 1 1 -10 -51 53 o 24.748  8.8755  99.721     67.723   295.236    153.268  52.288     75.492   34.847  13.198  20.908  8.7846  13.93910       15.85437 
1 1 1 -10 -51 54 o 21.432  8.3334  66.493     62.219   -19.8650   145.727  85.746     68.806   21.206  10.124  23.287  8.8374  -2.080784      13.43883 
1 1 1 -10 -51 55 o 11.650  5.7301  -91.5620   56.693   -87.9303   134.410  -92.3479   62.527   18.757  9.1400  12.403  6.0838  6.354464       10.97963 
1 1 1 -10 -51 56 o 21.540  8.4497  70.376     64.404   -166.7621  154.423  120.309    70.861   18.138  9.0164  26.184  9.1060  -8.045591      12.81465 
1 1 1 -10 -50 3  o 24.318  9.1441  100.954    73.261   76.393     102.244  126.870    105.026  22.819  9.9168  25.783  10.552  -2.963146      14.48092 
1 1 1 -10 -50 4  o 42.223  8.2819  281.799    81.817   240.800    112.463  327.896    119.248  34.110  11.483  40.600  11.553  -6.489697      16.28875 
1 1 1 -10 -50 5  o 14.009  6.6776  -51.0868   62.871   -10.8995   82.132   -107.9633  97.709   17.748  8.1879  15.782  7.7124  1.966040       11.24823 
1 1 1 -10 -50 6  o 22.415  8.9492  72.732     73.433   19.649     98.597   138.856    110.043  20.397  9.2422  27.279  10.933  -6.881851      14.31578 
1 1 1 -10 -50 7  o 17.586  7.7788  11.079     65.465   45.578     92.178   -24.0313   92.991   21.444  9.3659  18.224  8.5111  3.220449       12.65536 
1 1 1 -10 -50 8  o 32.544  8.5871  169.552    68.792   109.487    104.167  216.012    91.612   25.661  10.507  35.000  10.177  -9.339672      14.62771 
1 1 1 -10 -50 9  o 28.564  8.6182  131.559    64.718   181.562    101.012  96.742     84.290   31.106  10.869  24.676  9.6705  6.429949       14.54837 
1 1 1 -10 -50 10 o 15.517  6.9577  -3.5234    54.241   89.730     88.360   -59.9129   68.710   24.205  9.7626  14.476  6.9225  9.729466       11.96783 
1 1 1 -10 -50 11 o 18.322  7.6917  30.466     57.797   8.4897     86.137   48.463     77.950   19.188  8.6713  20.960  8.8727  -1.771820      12.40632 
1 1 1 -10 -50 12 o 23.166  8.5962  81.501     64.325   32.687     98.410   117.913    84.996   21.155  9.4369  26.350  9.8608  -5.194849      13.64878 
1 1 1 -10 -50 13 o 16.348  7.2366  4.9239     56.760   12.636     91.516   0.1027     72.359   19.762  8.9335  17.615  7.9552  2.146482       11.96218 
1 1 1 -10 -50 14 f 32.676  8.1297  166.359    64.194   24.423     89.353   317.765    92.286   20.213  9.0063  44.822  8.7996  -24.60890      12.59156 
1 1 1 -10 -50 15 o 24.549  8.2326  93.879     57.807   49.882     79.597   142.985    84.092   21.154  8.9610  28.624  9.9218  -7.470303      13.36945 
1 1 1 -10 -50 16 o 13.298  6.2211  -31.6574   50.036   -8.1162    68.079   -59.3116   73.787   16.785  7.6344  15.090  7.2046  1.694950       10.49716 
1 1 1 -10 -50 17 o 12.693  6.0389  -46.4931   50.906   -52.8056   69.033   -38.9691   75.367   14.815  7.0437  16.089  7.5613  -1.274162      10.33375 
1 1 1 -10 -50 18 o 27.853  8.3646  122.609    61.070   114.910    83.942   131.266    89.012   26.268  9.8055  27.551  10.133  -1.283245      14.10021 
1 1 1 -10 -50 19 o 44.834  6.6378  285.253    70.028   314.352    98.917   256.014    99.154   43.845  9.5668  38.294  10.402  5.551624       14.13221 
1 1 1 -10 -50 20 o 25.032  8.2006  96.678     57.453   139.027    81.511   54.864     80.994   28.616  9.7750  21.723  9.1116  6.893482       13.36305 
1 1 1 -10 -50 21 o 13.696  6.4038  -33.0603   52.890   -76.6113   73.805   12.913     75.831   14.552  7.0135  18.798  8.3406  -4.246386      10.89751 
1 1 1 -10 -50 22 o 41.646  6.5372  244.371    63.883   193.167    93.346   289.480    87.614   33.159  10.415  43.264  8.6483  -10.10563      13.53720 
1 1 1 -10 -50 23 o 27.695  7.9716  117.279    56.461   89.473     82.608   141.656    77.347   24.448  9.5756  29.249  9.5118  -4.801695      13.49689 
1 1 1 -10 -50 24 o 27.076  7.8567  111.225    54.647   160.328    82.036   72.056     73.270   30.915  9.7704  22.853  8.9973  8.061935       13.28201 
1 1 1 -10 -50 25 o 33.942  7.4879  169.858    60.014   157.955    87.779   180.305    82.236   30.404  10.145  32.985  9.6573  -2.580685      14.00653 
1 1 1 -10 -50 26 o 35.184  10.114  209.343    90.937   172.024    104.703  323.935    183.473  30.899  11.041  36.616  14.290  -5.717556      18.05832 
1 1 1 -10 -50 27 o 41.846  9.8097  285.325    97.871   269.681    111.171  339.221    206.345  38.828  11.189  36.214  14.803  2.614220       18.55566 
1 1 1 -10 -50 28 o 38.183  9.9935  241.895    93.664   249.273    107.477  218.595    190.989  37.423  11.064  31.601  13.643  5.821562       17.56568 
1 1 1 -10 -50 29 o 24.005  9.5035  81.649     82.170   100.623    91.052   -1.6165    190.740  25.620  10.048  24.665  11.722  0.9540787      15.43878 
1 1 1 -10 -50 30 o 18.987  8.4895  6.5491     80.141   -21.5325   88.403   136.060    189.849  18.352  8.4766  28.617  12.908  -10.26549      15.44279 
1 1 1 -10 -50 31 o 23.523  9.8133  69.388     93.201   69.388     93.201   0.0000     0.0000   23.523  9.8133  ?       ?       0.000000       9.813321 
1 1 1 -10 -50 32 o 29.511  10.967  153.050    104.787  153.050    104.787  0.0000     0.0000   29.511  10.967  ?       ?       0.000000       10.96745 
1 1 1 -10 -50 33 o 24.098  9.3359  84.278     77.869   122.938    87.148   -68.8210   173.425  27.393  10.033  22.360  10.771  5.032991       14.71969 
1 1 1 -10 -50 34 o 35.363  7.2158  181.273    59.819   164.188    90.402   194.580    79.784   30.936  10.294  34.786  9.2807  -3.850574      13.86000 
1 1 1 -10 -50 35 o 33.527  6.9687  161.779    54.841   153.979    91.848   166.100    68.365   29.912  10.369  32.705  8.5272  -2.792580      13.42514 
1 1 1 -10 -50 36 o 18.685  7.3027  40.488     47.969   -9.4281    89.006   60.921     56.947   18.882  8.6421  21.277  8.0482  -2.394728      11.80925 
1 1 1 -10 -50 37 o 16.472  6.9092  19.043     46.575   59.955     83.479   0.5533     56.121   22.367  9.3054  16.161  7.1727  6.205915       11.74897 
1 1 1 -10 -50 38 o 41.496  6.1554  238.555    60.099   161.141    101.298  280.606    74.658   29.998  10.843  44.077  7.2316  -14.07840      13.03319 
1 1 1 -10 -50 39 o 13.588  6.2160  -17.5891   45.970   35.028     83.763   -40.2678   54.992   20.727  8.9916  13.653  6.4295  7.073926       11.05386 
1 1 1 -10 -50 40 o 29.040  5.9787  117.874    40.724   125.949    98.607   116.214    44.716   27.221  10.517  28.430  6.6078  -1.209341      12.42045 
1 1 1 -10 -50 41 o 34.032  5.3857  157.225    42.993   191.082    104.030  150.251    47.213   32.131  11.041  32.731  6.1712  -0.5999260     12.64886 
1 1 1 -10 -50 42 o 36.069  6.8834  187.517    58.044   0.0000     0.0000   187.517    58.044   ?       ?       36.069  6.8834  0.000000       6.883354 
1 1 1 -10 -50 43 o 16.308  6.8795  18.070     46.600   0.0000     0.0000   18.070     46.600   ?       ?       16.308  6.8795  0.000000       6.879464 
1 1 1 -10 -50 44 o 23.581  7.1498  82.234     44.463   93.868     95.795   79.039     50.198   24.786  10.104  23.026  7.6712  1.759380       12.68585 
1 1 1 -10 -50 45 o 16.903  6.6914  30.456     40.735   51.406     86.043   24.404     46.245   21.702  9.2591  16.828  6.9572  4.874367       11.58162 
1 1 1 -10 -50 46 o 33.143  8.0023  168.523    63.624   228.273    98.777   126.156    83.176   35.688  10.620  27.296  9.8312  8.392307       14.47192 
1 1 1 -10 -50 47 f 17.275  7.6172  9.0763     62.292   -53.0552   119.184  32.427     73.066   19.326  9.2072  19.713  8.4744  -0.3869495     12.51348 
1 1 1 -10 -50 48 o 22.092  8.5222  68.568     64.674   113.098    127.470  53.131     75.051   26.335  11.254  21.275  8.8348  5.060627       14.30720 
1 1 1 -10 -50 49 o 15.356  7.0430  -18.1094   59.548   135.426    130.715  -58.3170   66.892   27.546  11.566  14.380  6.8639  13.16591       13.44917 
1 1 1 -10 -50 50 o 17.710  7.0709  33.599     45.843   31.239     98.313   34.255     51.822   21.298  9.4712  18.272  7.4379  3.025951       12.04267 
1 1 1 -10 -50 51 o 18.356  7.0694  40.716     44.445   -29.8727   94.808   60.598     50.317   18.345  8.5762  20.872  7.6269  -2.527683      11.47695 
1 1 1 -10 -50 52 o 26.871  7.3847  108.269    49.636   109.509    102.852  107.893    56.672   25.934  10.507  26.395  8.0862  -0.4605103     13.25859 
1 1 1 -10 -50 53 o 18.628  7.8452  30.685     60.444   -3.4526    139.596  38.562     67.056   22.004  10.325  19.710  8.2801  2.294491       13.23508 
1 1 1 -10 -50 54 o 33.248  8.7659  178.008    71.725   164.663    158.473  181.445    80.435   28.547  12.376  32.734  9.5415  -4.187531      15.62700 
1 1 1 -10 -50 55 o 19.265  8.0510  38.242     62.889   100.188    149.534  24.931     69.318   25.619  11.515  18.788  8.1652  6.830257       14.11631 
1 1 1 -10 -50 56 f 44.196  7.9351  299.241    81.967   172.683    178.057  333.272    92.332   28.057  12.592  45.854  8.6150  -17.79698      15.25683 
1 1 1 -10 -50 57 o 21.246  8.4178  64.437     64.514   26.147     160.316  71.836     70.472   22.866  10.831  22.024  8.7752  0.8415203      13.93972 
1 1 1 -10 -49 1  o 17.081  8.0494  -33.5197   86.472   258.355    267.339  -67.6247   91.385   28.911  13.778  16.312  7.8481  12.59849       15.85643 
1 1 1 -10 -49 2  o 26.829  10.402  130.249    96.717   149.539    277.547  127.582    103.185  27.474  13.329  26.538  10.604  0.9362392      17.03277 
1 1 1 -10 -49 3  o 13.747  6.7736  -124.2472  80.391   -259.2222  278.475  -111.9761  83.966   22.491  11.312  14.460  7.0840  8.031018       13.34731 
1 1 1 -10 -49 4  o 23.519  9.9738  74.499     98.781   95.043     306.786  72.123     104.337  27.578  13.517  23.555  10.126  4.022669       16.88935 
1 1 1 -10 -49 5  o 27.214  10.681  129.039    102.971  -224.1003  302.722  175.244    109.500  23.851  11.970  30.414  11.229  -6.562342      16.41302 
1 1 1 -10 -49 6  o 16.883  7.8971  -34.2896   80.561   94.334     273.098  -46.5491   84.313   27.657  13.370  16.757  7.9126  10.89990       15.53578 
1 1 1 -10 -49 7  o 15.375  7.2955  -52.8383   73.351   -42.8024   267.616  -53.6535   76.272   25.403  12.486  15.666  7.4352  9.736965       14.53198 
1 1 1 -10 -49 8  o 25.519  10.086  104.112    92.413   465.212    291.377  63.727     97.444   35.665  16.049  23.004  9.8349  12.66173       18.82235 
1 1 1 -10 -49 9  o 24.451  9.8337  90.085     89.373   569.378    325.388  50.977     92.947   36.848  16.733  22.057  9.5201  14.79171       19.25146 
1 1 1 -10 -49 10 o 22.211  9.3042  60.076     84.275   -19.6966   317.600  66.118     87.409   26.499  13.131  22.741  9.4966  3.757689       16.20482 
1 1 1 -10 -49 11 o 35.659  10.790  229.720    101.345  343.901    324.342  217.366    106.687  32.022  15.237  34.073  11.176  -2.050831      18.89621 
1 1 1 -10 -49 12 o 39.044  10.245  261.539    98.281   317.256    238.857  250.183    107.832  33.157  14.753  36.888  11.123  -3.730949      18.47626 
1 1 1 -10 -49 13 o 32.106  9.6211  173.043    80.859   80.186     213.227  188.640    87.387   26.697  12.599  33.131  10.019  -6.434523      16.09679 
1 1 1 -10 -49 14 o 34.482  9.0717  191.385    76.923   98.590     223.923  203.801    81.907   27.402  12.926  35.280  9.3992  -7.877260      15.98177 
1 1 1 -10 -49 15 o 19.435  8.2873  30.891     68.863   331.300    201.217  -8.9610    73.288   35.600  14.592  17.426  7.9240  18.17342       16.60513 
1 1 1 -10 -49 16 o 15.772  6.7955  9.9667     47.188   23.547     69.510   -1.6421    64.267   19.025  8.2221  16.937  7.5856  2.087440       11.18678 
1 1 1 -10 -49 17 o 31.907  7.5511  150.829    57.551   139.556    84.155   160.733    78.880   28.902  9.9307  31.270  9.5325  -2.367846      13.76549 
1 1 1 -10 -49 18 o 26.191  8.3692  104.998    60.066   114.819    83.859   94.650     86.078   26.766  9.8362  25.120  9.7924  1.645624       13.87950 
1 1 1 -10 -49 19 o 17.937  7.5130  25.002     54.942   -4.2560    75.044   58.801     80.659   17.993  8.1161  22.336  9.2069  -4.342329      12.27346 
1 1 1 -10 -49 20 o 29.639  8.2984  133.960    62.045   199.274    90.404   75.802     85.308   34.570  10.127  23.820  9.5977  10.75028       13.95227 
1 1 1 -10 -49 21 o 24.871  8.0727  91.739     55.723   40.322     82.737   134.423    75.384   21.319  9.0871  29.038  9.3860  -7.719398      13.06416 
1 1 1 -10 -49 22 o 17.129  7.1114  22.233     48.608   -76.7256   73.294   99.934     64.946   14.680  7.0544  25.726  8.7257  -11.04597      11.22064 
1 1 1 -10 -49 23 o 21.511  7.8863  62.035     53.861   1.8643     78.167   116.430    74.320   18.753  8.3847  27.346  9.3339  -8.593386      12.54692 
1 1 1 -10 -49 24 o 26.355  8.0427  103.208    56.129   59.617     81.873   141.864    77.099   22.689  9.3052  29.891  9.4745  -7.202208      13.27976 
1 1 1 -10 -49 25 o 36.780  7.5355  195.164    64.988   165.896    88.415   229.562    95.849   31.791  10.153  37.420  10.253  -5.628908      14.42960 
1 1 1 -10 -49 26 o 20.360  7.9526  48.583     56.859   49.439     74.829   47.413     87.461   21.597  8.8811  22.237  9.4051  -0.6402187     12.93559 
1 1 1 -10 -49 27 o 33.404  7.9346  164.239    63.357   107.106    84.213   238.752    96.173   26.576  9.8408  38.361  10.168  -11.78569      14.15032 
1 1 1 -10 -49 28 o 17.143  7.4456  8.8732     57.570   -36.0228   73.086   82.273     93.450   16.389  7.6177  24.878  10.038  -8.488928      12.60112 
1 1 1 -10 -49 29 o 14.538  6.8837  -54.1449   64.640   -66.7408   69.263   30.881     179.953  14.623  6.9809  25.975  12.031  -11.35195      13.90987 
1 1 1 -10 -49 30 o 18.105  8.2889  -19.8530   81.964   -19.8530   81.964   0.0000     0.0000   18.105  8.2889  ?       ?       0.000000       8.288897 
1 1 1 -10 -49 31 o 25.582  10.174  91.630     94.566   91.630     94.566   0.0000     0.0000   25.582  10.174  ?       ?       0.000000       10.17385 
1 1 1 -10 -49 32 o 32.918  10.519  180.403    94.890   182.827    110.074  173.390    187.227  32.446  11.346  31.068  13.460  1.377781       17.60412 
1 1 1 -10 -49 33 o 28.216  9.7837  125.267    81.771   200.832    111.625  37.753     120.126  33.812  11.440  23.591  10.481  10.22152       15.51499 
1 1 1 -10 -49 34 o 23.010  9.1068  67.239     75.432   144.467    99.957   -34.9181   114.963  29.573  10.758  20.300  9.4749  9.272964       14.33579 
1 1 1 -10 -49 35 o 32.301  7.3291  150.291    56.124   153.140    93.058   148.662    70.362   30.424  10.444  31.023  8.8901  -0.5989838     13.71497 
1 1 1 -10 -49 36 o 21.287  7.6691  60.951     50.617   78.443     83.825   50.912     63.501   24.165  9.5887  20.962  8.3369  3.202696       12.70614 
1 1 1 -10 -49 37 o 24.520  7.7843  87.834     52.029   142.074    92.444   62.687     62.945   29.371  10.387  21.969  8.4249  7.401903       13.37421 
1 1 1 -10 -49 38 o 15.382  6.7171  3.0612     47.394   36.895     84.503   -12.4658   57.245   21.268  9.1274  15.624  7.0640  5.644636       11.54169 
1 1 1 -10 -49 39 o 23.264  6.3544  76.217     36.884   59.690     91.485   79.425     40.304   23.050  9.6768  23.617  6.7151  -0.5664673     11.77854 
1 1 1 -10 -49 40 o 10.976  4.7974  -1.9730    24.229   -171.3490  82.414   14.051     25.349   13.072  6.5122  13.145  5.2545  -0.7271194E-01 8.367736 
1 1 1 -10 -49 41 o 13.652  5.8732  4.4434     35.139   0.0000     0.0000   4.4434     35.139   ?       ?       13.652  5.8732  0.000000       5.873163 
1 1 1 -10 -49 42 o 18.323  6.6228  42.899     37.790   0.0000     0.0000   42.899     37.790   ?       ?       18.323  6.6228  0.000000       6.622756 
1 1 1 -10 -49 43 o 14.827  5.8851  20.328     31.586   -26.7365   89.536   27.018     33.756   18.220  8.4560  15.919  6.1524  2.301438       10.45737 
1 1 1 -10 -49 44 o 18.356  7.4990  32.814     52.916   8.5981     82.176   49.968     69.164   19.225  8.5964  20.946  8.5670  -1.720453      12.13636 
1 1 1 -10 -49 45 f 17.088  6.8752  28.578     43.705   153.606    87.379   -13.1386   50.473   30.014  10.121  14.552  6.6012  15.46146       12.08380 
1 1 1 -10 -49 46 o 18.103  7.0266  37.897     44.174   74.429     88.726   25.857     50.936   23.551  9.6760  17.525  7.2780  6.026112       12.10755 
1 1 1 -10 -49 47 o 31.235  6.7213  139.869    49.429   132.052    99.748   142.413    56.908   27.788  10.618  30.841  7.6434  -3.052116      13.08275 
1 1 1 -10 -49 48 o 39.192  8.8144  240.263    81.789   440.613    155.210  163.242    96.234   46.828  13.130  30.379  10.609  16.44929       16.88049 
1 1 1 -10 -49 49 o 11.530  5.6263  -78.0313   51.441   -51.1359   110.692  -85.4400   58.096   18.959  8.9860  12.253  5.9792  6.705219       10.79351 
1 1 1 -10 -49 50 f 15.849  7.1312  -6.7886    57.519   -55.6906   119.459  7.9708     65.628   19.466  9.2580  17.656  7.8003  1.809221       12.10601 
1 1 1 -10 -49 51 o 30.736  7.0065  137.095    51.092   296.318    103.703  86.059     58.712   42.007  10.262  23.962  8.2913  18.04576       13.19300 
1 1 1 -10 -49 52 o 18.413  7.1041  40.042     44.945   69.099     94.980   31.658     51.019   23.474  9.8576  18.071  7.3707  5.403345       12.30857 
1 1 1 -10 -49 53 o 12.611  5.7611  -16.4772   39.308   -15.3640   89.733   -16.7415   43.726   18.662  8.5913  13.319  6.0812  5.343223       10.52576 
1 1 1 -10 -49 54 o 23.067  8.6842  76.995     66.115   227.248    151.893  41.873     73.437   32.580  12.914  20.535  8.6480  12.04439       15.54204 
1 1 1 -10 -49 55 o 22.824  8.6684  75.072     66.232   131.835    156.055  62.601     73.147   27.654  12.129  21.992  8.8782  5.662064       15.03141 
1 1 1 -10 -49 56 o 16.773  7.4685  2.7078     61.335   -17.3179   153.904  6.4888     66.875   22.292  10.575  17.563  7.8108  4.728476       13.14645 
1 1 1 -10 -49 57 o 28.167  9.3736  133.873    74.956   317.421    168.558  88.631     83.685   35.687  13.761  24.024  9.5655  11.66347       16.75880 
1 1 1 -10 -49 58 o 15.644  7.1627  -13.4777   61.220   134.691    161.796  -38.2349   66.137   26.799  12.017  14.984  7.0549  11.81478       13.93469 
1 1 1 -10 -48 1  o 22.679  9.9138  54.446     103.481  274.916    253.123  10.205     113.389  31.403  14.446  21.164  9.7113  10.23891       17.40714 
1 1 1 -10 -48 2  o 28.877  10.659  147.678    98.631   92.035     264.167  156.691    106.319  27.714  13.336  29.356  11.020  -1.641569      17.30001 
1 1 1 -10 -48 3  o 33.483  11.544  212.446    113.763  0.0000     0.0000   212.446    113.763  ?       ?       33.483  11.544  0.000000       11.54397 
1 1 1 -10 -48 4  o 42.693  11.080  321.194    115.780  468.435    303.620  296.141    125.243  36.239  16.337  39.406  12.011  -3.167038      20.27757 
1 1 1 -10 -48 5  o 44.563  10.341  332.705    109.653  609.893    299.071  289.655    117.861  40.806  17.332  39.710  11.543  1.095573       20.82402 
1 1 1 -10 -48 6  f 57.340  9.8082  529.196    131.558  0.0000     0.0000   529.196    131.558  ?       ?       57.340  9.8082  0.000000       9.808166 
1 1 1 -10 -48 7  o 30.841  10.600  167.958    95.885   469.671    288.351  130.449    101.670  36.764  16.291  27.672  10.682  9.092531       19.48066 
1 1 1 -10 -48 8  o 18.395  8.3329  -3.0166    80.101   0.0000     0.0000   -3.0166    80.101   ?       ?       18.395  8.3329  0.000000       8.332873 
1 1 1 -10 -48 9  o 22.896  9.4699  66.222     85.732   165.878    309.888  57.963     89.214   29.692  14.326  22.508  9.5081  7.183239       17.19376 
1 1 1 -10 -48 10 o 40.886  10.255  280.961    101.553  175.347    315.299  293.185    107.269  29.956  14.452  41.311  10.638  -11.35497      17.94502 
1 1 1 -10 -48 11 o 33.332  10.434  192.206    93.783   541.078    230.425  122.942    102.672  44.208  16.296  27.269  10.677  16.93834       19.48207 
1 1 1 -10 -48 12 o 29.379  10.127  144.996    87.544   198.372    221.957  135.163    95.268   30.754  13.907  28.336  10.472  2.418251       17.40869 
1 1 1 -10 -48 13 o 38.131  9.8565  237.556    91.860   427.688    228.358  200.850    100.336  39.490  15.776  33.871  10.816  5.619198       19.12797 
1 1 1 -10 -48 14 o 24.692  9.1736  90.032     73.302   197.721    211.530  75.336     78.143   31.199  13.883  23.556  9.2861  7.643375       16.70202 
1 1 1 -10 -48 15 o 20.626  8.5185  42.914     69.226   -173.1720  189.671  76.122     74.355   21.421  10.525  23.569  9.1251  -2.148468      13.92998 
1 1 1 -10 -48 16 o 26.340  9.3128  105.832    74.308   112.848    198.479  104.688    80.136   28.754  13.062  26.241  9.6196  2.513693       16.22166 
1 1 1 -10 -48 17 o 73.390  7.2992  756.226    128.256  763.998    252.925  753.535    148.807  56.491  17.036  71.170  8.8051  -14.67842      19.17664 
1 1 1 -10 -48 18 o 19.212  8.3167  18.275     71.353   -139.5723  183.079  46.546     77.480   21.981  10.701  21.619  8.9770  0.3620682      13.96793 
1 1 1 -10 -48 19 o 31.076  9.9251  154.294    84.484   206.780    194.033  142.016    93.847   32.709  13.928  29.672  10.469  3.037817       17.42388 
1 1 1 -10 -48 20 o 24.972  9.5045  86.885     79.734   253.564    186.956  49.828     88.153   35.103  14.186  22.617  9.4972  12.48557       17.07137 
1 1 1 -10 -48 21 o 53.058  6.9637  388.716    87.487   304.313    212.111  406.019    96.037   37.011  15.055  53.658  7.5879  -16.64763      16.85887 
1 1 1 -10 -48 22 o 19.873  7.6079  45.922     51.274   25.944     74.334   64.055     70.818   20.126  8.5968  22.770  8.8804  -2.644051      12.35993 
1 1 1 -10 -48 23 o 35.393  7.1168  175.665    58.999   204.689    84.691   148.298    82.237   36.450  9.4848  30.824  9.7866  5.625422       13.62862 
1 1 1 -10 -48 24 o 23.042  8.1807  72.209     57.396   70.992     76.342   73.791     87.047   23.685  9.2250  24.384  9.7408  -0.6993713     13.41581 
1 1 1 -10 -48 25 o 22.436  8.0148  67.209     55.174   87.908     74.141   41.519     82.598   25.107  9.2454  21.890  9.1924  3.217810       13.03755 
1 1 1 -10 -48 26 o 31.992  8.0890  149.016    62.828   189.158    80.845   87.801     99.835   35.237  9.3143  25.948  10.408  9.289333       13.96741 
1 1 1 -10 -48 27 o 52.181  5.9059  361.767    73.459   263.585    97.009   493.743    112.472  41.383  9.8105  58.987  8.0698  -17.60436      12.70308 
1 1 1 -10 -48 28 o 19.408  7.7742  36.733     55.614   -90.5734   74.361   198.324    83.777   14.543  7.0170  36.019  9.4630  -21.47609      11.78074 
1 1 1 -10 -48 29 o 24.918  9.4137  83.927     77.850   83.927     77.850   0.0000     0.0000   24.918  9.4137  ?       ?       0.000000       9.413744 
1 1 1 -10 -48 30 o 25.603  9.4890  91.592     78.334   91.592     78.334   0.0000     0.0000   25.603  9.4890  ?       ?       0.000000       9.489001 
1 1 1 -10 -48 31 o 56.889  5.3276  422.593    72.683   510.295    98.965   319.890    107.095  61.279  6.7689  45.615  9.9556  15.66377       12.03876 
1 1 1 -10 -48 32 o 35.438  9.3178  191.103    81.185   -3.1041    111.086  413.750    118.942  21.672  9.8157  52.288  9.7332  -30.61588      13.82325 
1 1 1 -10 -48 33 f 27.694  9.4824  114.599    76.705   154.821    101.887  61.977     116.539  31.044  10.912  25.114  10.747  5.929068       15.31562 
1 1 1 -10 -48 34 o 18.804  8.2745  5.8567     73.152   58.237     102.339  -48.8676   104.604  24.154  10.192  19.268  9.0079  4.886740       13.60248 
1 1 1 -10 -48 35 o 34.882  9.8995  191.000    87.678   214.856    120.135  163.811    128.253  35.252  11.868  31.351  12.025  3.901609       16.89534 
1 1 1 -10 -48 36 o 16.023  7.4327  -36.3724   69.047   55.851     92.593   -151.8941  103.631  23.400  9.7732  16.012  7.8498  7.387890       12.53534 
1 1 1 -10 -48 37 o 61.279  4.9564  486.904    73.065   519.749    117.229  466.039    93.432   60.123  8.2537  58.432  6.7118  1.690964       10.63823 
1 1 1 -10 -48 38 o 14.966  6.5991  -2.8667    46.756   131.241    84.087   -62.8890   56.255   29.014  9.9282  13.039  6.2431  15.97458       11.72793 
1 1 1 -10 -48 39 o 28.011  5.7766  106.634    37.958   102.144    92.411   107.545    41.632   26.495  10.197  27.872  6.3035  -1.377857      11.98764 
1 1 1 -10 -48 40 o 9.5444  4.5382  -32.2696   28.666   0.0000     0.0000   -32.2696   28.666   ?       ?       9.5444  4.5382  0.000000       4.538160 
1 1 1 -10 -48 41 o 65.539  4.8822  557.962    77.083   0.0000     0.0000   557.962    77.083   ?       ?       65.539  4.8822  0.000000       4.882247 
1 1 1 -10 -48 42 o 19.427  6.6140  50.140     37.316   180.840    94.098   25.749     40.649   32.966  10.469  16.655  6.6553  16.31052       12.40526 
1 1 1 -10 -48 43 o 21.051  6.4118  61.481     35.699   188.335    71.062   18.662     41.287   35.397  8.4001  15.974  6.5861  19.42299       10.67416 
1 1 1 -10 -48 44 o 14.706  5.9039  18.161     32.151   120.552    62.290   -19.0242   37.538   28.141  8.4470  12.199  5.5939  15.94242       10.13125 
1 1 1 -10 -48 45 o 21.746  7.2509  66.503     44.844   113.787    91.257   51.450     51.489   26.898  10.185  20.208  7.6506  6.690351       12.73828 
1 1 1 -10 -48 46 o 21.303  7.3491  63.096     46.110   158.108    91.182   30.452     53.447   30.610  10.339  18.294  7.5123  12.31628       12.78020 
1 1 1 -10 -48 47 o 37.414  5.9917  191.883    52.558   295.308    103.095  155.563    61.093   42.396  10.155  32.285  7.8702  10.11164       12.84813 
1 1 1 -10 -48 48 o 28.855  7.0369  120.573    48.826   63.875     96.410   140.131    56.625   23.386  9.8818  30.751  7.6263  -7.364986      12.48237 
1 1 1 -10 -48 49 o 19.090  7.9210  33.527     60.256   -103.0119  121.174  78.380     69.451   18.402  8.8983  23.450  8.8837  -5.047804      12.57373 
1 1 1 -10 -48 50 o 18.423  7.8288  24.104     61.066   -10.8002   121.866  35.806     70.565   21.296  9.8770  20.057  8.4636  1.238319       13.00719 
1 1 1 -10 -48 51 o 59.288  7.1276  498.476    100.480  606.606    174.367  444.719    122.945  56.878  12.928  52.538  10.010  4.340092       16.35003 
1 1 1 -10 -48 52 o 60.138  4.6914  471.317    67.915   569.062    125.987  431.279    80.633   61.380  8.7030  56.318  5.9928  5.062752       10.56675 
1 1 1 -10 -48 53 o 42.933  5.6274  248.494    57.211   320.875    112.506  223.249    66.444   43.574  10.716  39.463  7.2045  4.110676       12.91235 
1 1 1 -10 -48 54 o 29.739  7.2532  128.955    51.870   135.227    106.157  126.988    59.450   28.334  10.922  28.924  8.1318  -0.5902481     13.61661 
1 1 1 -10 -48 55 o 35.202  9.1564  196.664    78.949   198.983    167.327  196.000    89.543   31.273  13.106  34.172  10.098  -2.898739      16.54470 
1 1 1 -10 -48 56 o 32.473  9.0101  167.831    73.490   78.337     169.372  188.588    81.569   26.274  11.986  33.991  9.5141  -7.716766      15.30266 
1 1 1 -10 -48 57 o 13.350  6.3826  -57.6144   58.339   -95.1656   155.003  -51.4172   62.969   20.645  10.003  14.235  6.7561  6.409528       12.07088 
1 1 1 -10 -48 58 o 16.060  7.2779  -9.1234    61.159   -109.0716  155.733  9.1025     66.502   20.202  9.8427  17.714  7.8377  2.487423       12.58203 
1 1 1 -10 -48 59 o 18.884  8.2176  24.348     70.396   -8.5463    180.638  30.238     76.439   23.304  11.166  19.693  8.5664  3.610834       14.07315 
1 1 1 -10 -47 1  f 63.985  5.9773  556.280    91.725   600.661    133.979  517.126    125.841  62.427  9.1137  57.623  9.3186  4.804195       13.03441 
1 1 1 -10 -47 2  o 37.426  8.2831  211.410    73.231   224.477    106.589  199.727    100.783  35.488  11.126  33.722  10.848  1.766739       15.53894 
1 1 1 -10 -47 3  o 38.397  8.1137  220.365    73.226   171.146    104.483  267.876    102.655  31.095  11.038  39.858  10.477  -8.762373      15.21821 
1 1 1 -10 -47 4  o 37.748  7.4338  207.051    65.664   226.983    103.095  193.447    85.176   35.968  10.883  34.300  9.7652  1.668640       14.62187 
1 1 1 -10 -47 5  o 40.786  7.3016  239.619    69.605   294.593    108.718  201.431    90.612   41.551  10.714  34.620  10.137  6.931759       14.75001 
1 1 1 -10 -47 6  f 24.139  8.4617  86.535     61.245   252.589    96.171   -26.7519   79.435   39.077  10.078  17.306  8.0082  21.77035       12.87196 
1 1 1 -10 -47 7  o 23.946  8.3137  84.624     59.054   50.207     93.105   107.789    76.384   22.424  9.6009  26.257  9.4250  -3.833467      13.45393 
1 1 1 -10 -47 8  o 38.639  7.4931  216.705    67.716   296.890    106.231  161.824    87.885   42.202  10.433  31.072  10.141  11.12966       14.54951 
1 1 1 -10 -47 9  o 49.591  6.3364  338.100    74.501   390.835    115.720  300.767    97.364   49.390  9.9991  43.748  9.4486  5.642067       13.75711 
1 1 1 -10 -47 10 o 34.244  7.9965  174.168    65.237   149.072    102.525  191.242    84.566   29.666  10.880  34.402  9.7079  -4.735994      14.58130 
1 1 1 -10 -47 11 o 39.329  6.9774  217.891    64.146   313.515    92.230   128.297    89.274   45.780  8.6191  28.285  10.185  17.49594       13.34286 
1 1 1 -10 -47 12 o 11.334  5.4999  -68.5996   47.298   -127.7887  66.233   -7.0008    67.567   12.214  6.0421  17.253  7.7488  -5.038916      9.825994 
1 1 1 -10 -47 13 o 43.947  6.6948  266.605    69.134   303.950    93.994   222.592    102.041  44.985  8.9263  36.509  10.777  8.475609       13.99370 
1 1 1 -10 -47 14 o 36.018  7.4004  184.585    62.513   261.807    88.997   109.379    87.827   41.630  9.0673  27.022  10.041  14.60801       13.52925 
1 1 1 -10 -47 15 o 26.174  8.0053  99.548     55.569   115.679    77.929   82.861     79.262   27.652  9.5532  24.710  9.4593  2.941393       13.44401 
1 1 1 -10 -47 16 o 21.616  9.0073  42.323     78.392   130.785    185.246  23.025     86.522   30.216  13.235  21.004  9.1251  9.211994       16.07571 
1 1 1 -10 -47 17 o 27.925  9.6459  116.930    79.447   100.279    188.455  120.529    87.613   29.318  13.070  28.251  10.099  1.066990       16.51711 
1 1 1 -10 -47 18 o 21.944  8.8611  50.535     72.887   -99.9320   178.120  80.798     79.881   23.127  11.083  24.765  9.4924  -1.637674      14.59204 
1 1 1 -10 -47 19 o 22.421  8.9476  55.585     73.374   -103.5494  177.339  88.454     80.597   23.077  11.058  25.493  9.5901  -2.416269      14.63757 
1 1 1 -10 -47 20 o 27.390  9.6155  109.274    79.101   115.836    181.803  107.742    87.852   30.157  13.163  27.365  10.066  2.791241       16.57037 
1 1 1 -10 -47 21 o 48.744  8.3990  339.026    95.751   521.418    192.204  278.819    110.430  52.904  14.529  42.008  10.780  10.89587       18.09137 
1 1 1 -10 -47 22 f 15.267  7.1373  -46.1239   65.665   11.860     153.665  -59.0775   72.630   25.288  11.489  15.610  7.3627  9.677908       13.64601 
1 1 1 -10 -47 23 o 32.797  9.6462  162.617    81.881   8.3521     180.082  202.822    91.934   26.564  12.207  36.330  10.076  -9.766071      15.82892 
1 1 1 -10 -47 24 o 41.520  8.8455  250.320    86.386   279.799    187.912  242.420    97.274   38.362  14.594  39.871  10.056  -1.508347      17.72283 
1 1 1 -10 -47 25 o 24.637  9.2065  78.831     74.037   0.0000     0.0000   78.831     74.037   ?       ?       24.637  9.2065  0.000000       9.206477 
1 1 1 -10 -47 26 o 16.954  7.1251  14.488     49.685   44.907     77.247   -6.9771    64.888   22.073  9.0438  17.317  7.6980  4.755272       11.87643 
1 1 1 -10 -47 27 o 28.117  8.2770  113.087    60.263   161.843    81.466   54.164     89.558   32.844  9.6108  23.594  9.7107  9.250191       13.66250 
1 1 1 -10 -47 28 o 43.071  8.9260  268.660    90.218   268.660    90.218   0.0000     0.0000   43.071  8.9260  ?       ?       0.000000       8.925969 
1 1 1 -10 -47 29 o 28.273  9.6160  115.971    78.877   115.971    78.877   0.0000     0.0000   28.273  9.6160  ?       ?       0.000000       9.615958 
1 1 1 -10 -47 30 o 37.239  7.2666  191.421    63.302   176.407    86.703   208.560    92.638   34.113  9.8957  36.996  10.056  -2.883076      14.10855 
1 1 1 -10 -47 31 o 15.074  6.4345  5.8420     41.590   -88.6694   74.064   49.370     50.263   14.701  7.0710  20.436  7.5957  -5.735469      10.37753 
1 1 1 -10 -47 32 o 19.751  7.3836  45.028     47.630   86.457     80.353   22.586     59.140   25.568  9.5838  18.725  7.8149  6.842115       12.36617 
1 1 1 -10 -47 33 o 54.570  5.0728  383.816    66.399   325.551    104.498  423.268    85.990   46.977  9.4943  56.386  6.3984  -9.408855      11.44903 
1 1 1 -10 -47 34 o 38.302  9.6038  220.310    89.090   344.005    122.089  79.425     130.296  46.901  10.930  27.147  11.480  19.75443       15.85161 
1 1 1 -10 -47 35 o 24.544  9.2090  78.311     74.226   -9.4884    99.950   186.271    110.833  20.753  9.3631  33.986  11.399  -13.23292      14.75173 
1 1 1 -10 -47 36 o 44.624  8.7843  288.543    91.726   313.649    122.872  256.938    137.859  44.081  11.402  38.442  12.708  5.639431       17.07357 
1 1 1 -10 -47 37 o 45.034  8.8883  295.516    93.676   144.710    128.541  466.325    136.800  30.673  11.964  54.980  10.639  -24.30699      16.01010 
1 1 1 -10 -47 38 f 32.119  7.4990  145.816    57.382   0.0000     0.0000   145.816    57.382   ?       ?       32.119  7.4990  0.000000       7.499043 
1 1 1 -10 -47 39 o 21.377  6.8056  61.841     39.748   0.0000     0.0000   61.841     39.748   ?       ?       21.377  6.8056  0.000000       6.805648 
1 1 1 -10 -47 40 o 32.994  6.0848  147.158    46.918   0.0000     0.0000   147.158    46.918   ?       ?       32.994  6.0848  0.000000       6.084799 
1 1 1 -10 -47 41 o 28.321  6.0697  109.330    40.455   166.996    95.147   96.605     44.696   32.290  10.552  26.236  6.9212  6.053829       12.61940 
1 1 1 -10 -47 42 o 24.767  5.9660  83.924     35.427   -17.2731   67.663   122.143    41.582   16.847  7.6424  30.021  5.9189  -13.17429      9.666447 
1 1 1 -10 -47 43 o 28.740  5.8213  112.028    39.203   174.396    76.334   89.684     45.689   33.818  9.1019  25.148  7.1494  8.669779       11.57403 
1 1 1 -10 -47 44 o 41.945  4.6224  227.731    46.264   346.804    82.689   173.473    55.818   50.019  7.0053  35.321  6.7591  14.69818       9.734473 
1 1 1 -10 -47 45 o 12.492  5.4782  -2.7162    31.822   88.118     63.208   -33.5572   36.831   24.698  8.5996  11.174  5.2622  13.52338       10.08188 
1 1 1 -10 -47 46 o 32.706  6.0719  146.384    46.411   60.347     76.800   195.879    58.250   22.578  9.1033  37.565  6.6332  -14.98705      11.26365 
1 1 1 -10 -47 47 o 26.181  7.2363  98.970     47.502   26.755     96.044   122.355    54.655   21.574  9.4877  28.874  7.6709  -7.300285      12.20074 
1 1 1 -10 -47 48 o 51.783  4.9886  351.400    61.905   466.037    116.290  306.067    73.128   55.611  8.9197  47.056  6.5851  8.554829       11.08711 
1 1 1 -10 -47 49 o 38.370  5.8127  199.462    52.423   311.405    103.076  160.404    60.885   44.205  9.8607  33.035  7.7324  11.17026       12.53089 
1 1 1 -10 -47 50 o 23.329  8.3969  77.587     60.667   3.5067     125.230  100.305    69.348   22.249  10.208  25.729  9.0049  -3.480457      13.61210 
1 1 1 -10 -47 51 o 32.963  9.0792  170.540    74.931   271.710    139.695  129.675    88.783   37.139  12.793  28.272  10.160  8.867268       16.33647 
1 1 1 -10 -47 52 f 25.866  8.9525  101.657    68.453   72.971     131.733  112.268    80.118   25.447  11.153  26.821  9.6500  -1.373814      14.74835 
1 1 1 -10 -47 53 o 39.670  5.8174  213.103    54.332   156.171    104.603  234.138    63.581   30.190  11.002  41.021  6.6127  -10.83077      12.83643 
1 1 1 -10 -47 54 o 26.276  7.5425  101.154    50.608   -5.0164    102.543  135.341    58.188   20.445  9.3261  30.204  7.8630  -9.759501      12.19847 
1 1 1 -10 -47 55 o 34.283  6.5497  164.166    52.497   293.359    110.253  126.288    59.699   41.747  10.802  28.979  8.1493  12.76735       13.53109 
1 1 1 -10 -47 56 o 60.319  6.7600  505.307    97.237   651.050    200.858  460.696    111.127  56.508  14.559  55.657  8.4982  0.8515663      16.85779 
1 1 1 -10 -47 57 f 27.342  9.1287  117.161    71.072   37.446     166.891  134.821    78.551   25.203  11.643  28.905  9.5946  -3.702211      15.08685 
1 1 1 -10 -47 58 o 31.708  13.724  218.762    194.264  218.762    194.264  0.0000     0.0000   31.708  13.724  ?       ?       0.000000       13.72429 
1 1 1 -10 -47 59 o 29.500  9.3085  142.196    74.486   23.338     191.856  163.292    80.826   25.078  11.870  31.285  9.6690  -6.206873      15.30984 
1 1 1 -10 -46 1  o 25.291  8.9480  95.816     68.612   7.2691     97.257   183.548    96.808   20.580  9.2650  32.816  10.639  -12.23668      14.10811 
1 1 1 -10 -46 2  o 16.129  7.2457  -7.8101    59.106   -39.7413   92.414   14.294     76.889   18.114  8.4680  19.301  8.4884  -1.186497      11.99001 
1 1 1 -10 -46 3  o 18.254  7.6750  24.748     57.690   168.969    92.232   -67.9408   73.940   31.677  10.391  15.072  7.2003  16.60498       12.64188 
1 1 1 -10 -46 4  o 21.958  8.2242  64.702     59.148   61.944     90.356   66.769     78.241   23.169  9.6637  22.952  9.2115  0.2168598      13.35056 
1 1 1 -10 -46 5  o 49.407  6.2558  333.805    73.315   480.004    113.298  228.481    96.164   56.900  8.4641  37.105  10.311  19.79472       13.33986 
1 1 1 -10 -46 6  o 34.451  7.8627  174.674    64.276   165.435    100.268  181.120    83.748   31.161  10.832  33.514  9.7266  -2.353035      14.55833 
1 1 1 -10 -46 7  o 42.226  6.9236  249.656    68.479   274.986    107.189  232.189    89.013   40.610  10.721  38.351  9.5905  2.258488       14.38437 
1 1 1 -10 -46 8  o 14.415  6.6358  -25.6045   53.526   -16.3642   85.344   -31.5960   68.722   18.613  8.4973  16.101  7.4498  2.511484       11.30060 
1 1 1 -10 -46 9  o 47.920  6.0935  309.704    69.250   298.400    104.159  318.659    92.707   43.442  10.077  46.530  8.5255  -3.087624      13.19943 
1 1 1 -10 -46 10 o 27.604  8.1094  111.844    57.900   71.154     82.891   150.613    80.911   23.897  9.5184  31.022  9.6884  -7.124344      13.58178 
1 1 1 -10 -46 11 o 16.075  6.7908  12.441     45.510   -38.9582   63.518   66.664     65.239   15.198  7.0766  22.782  8.6150  -7.583378      11.14883 
1 1 1 -10 -46 12 o 18.688  7.4897  32.930     51.647   101.054    75.958   -25.6432   70.433   26.420  9.4077  16.776  7.6818  9.643391       12.14553 
1 1 1 -10 -46 13 o 13.431  6.0823  -16.1703   42.638   65.100     60.621   -95.7377   59.982   22.536  8.3485  12.422  6.0644  10.11476       10.31866 
1 1 1 -10 -46 14 o 13.964  6.2570  -11.6328   43.784   -72.1862   67.973   31.306     57.240   14.436  6.8986  19.162  7.8104  -4.725204      10.42081 
1 1 1 -10 -46 15 o 70.366  4.9102  635.395    83.310   620.873    120.947  648.505    114.919  67.148  7.5546  69.277  6.9296  -2.129166      10.25137 
1 1 1 -10 -46 16 o 84.136  4.7031  902.178    95.628   878.626    137.357  924.331    133.214  80.622  7.0937  83.209  6.6537  -2.586830      9.725876 
1 1 1 -10 -46 17 o 33.274  7.5590  155.124    59.640   124.244    85.491   184.399    83.241   29.064  10.008  35.104  9.5286  -6.040133      13.81860 
1 1 1 -10 -46 18 o 14.579  6.5881  -17.5229   49.709   4.1960     71.110   -38.2789   69.516   18.773  8.2120  16.225  7.5022  2.548016       11.12294 
1 1 1 -10 -46 19 o 25.259  7.7055  88.475     51.529   109.075    74.118   69.204     71.689   27.675  9.3218  23.790  9.0225  3.885895       12.97310 
1 1 1 -10 -46 20 f 30.759  7.9471  133.538    59.735   113.108    79.233   160.443    90.926   28.163  9.6374  32.615  10.284  -4.451908      14.09382 
1 1 1 -10 -46 21 o 56.396  7.6625  434.398    102.139  580.273    203.367  385.189    118.117  57.459  14.567  51.276  9.8517  6.182888       17.58544 
1 1 1 -10 -46 22 o 59.429  7.3956  477.624    104.338  442.321    204.610  490.030    121.293  48.490  15.441  59.077  8.7240  -10.58707      17.73545 
1 1 1 -10 -46 23 o 55.371  7.5720  416.681    99.065   328.976    189.132  449.841    116.295  42.396  14.869  56.596  8.7508  -14.20040      17.25321 
1 1 1 -10 -46 24 o 36.967  9.4411  199.644    84.984   141.338    177.689  216.937    96.769   32.422  13.540  38.026  10.254  -5.604382      16.98420 
1 1 1 -10 -46 25 f 47.445  8.3080  313.175    92.158   382.428    177.365  287.563    107.862  46.655  14.307  43.937  10.297  2.718784       17.62758 
1 1 1 -10 -46 26 o 40.288  8.7713  230.627    83.311   226.835    169.973  231.826    95.580   36.910  13.918  39.589  9.9590  -2.678974      17.11427 
1 1 1 -10 -46 27 o 59.281  14.153  593.964    200.769  593.964    200.769  0.0000     0.0000   59.281  14.153  ?       ?       0.000000       14.15340 
1 1 1 -10 -46 28 o 40.843  8.4641  234.434    81.124   204.870    89.914   363.858    188.125  37.286  9.8070  44.912  14.845  -7.626049      17.79224 
1 1 1 -10 -46 29 o 47.621  5.9128  296.005    66.850   221.747    94.180   371.413    94.906   38.714  9.9667  52.208  7.7251  -13.49463      12.61000 
1 1 1 -10 -46 30 o 45.273  5.3629  264.621    57.767   312.426    90.248   231.438    75.189   47.549  8.1133  40.951  7.8527  6.598213       11.29122 
1 1 1 -10 -46 31 o 39.467  5.8996  204.411    54.763   186.515    89.416   215.153    69.275   35.452  9.9747  39.662  7.4725  -4.209740      12.46333 
1 1 1 -10 -46 32 o 36.867  6.3957  181.162    55.139   203.638    88.814   167.066    70.335   37.179  9.7316  34.296  8.4959  2.882252       12.91839 
1 1 1 -10 -46 33 o 50.631  5.1972  329.398    62.942   310.834    100.742  341.284    80.613   46.541  9.2467  50.631  6.7285  -4.089424      11.43566 
1 1 1 -10 -46 34 o 51.519  5.2275  341.367    64.442   380.684    104.765  317.436    81.733   52.120  8.5829  48.507  7.1596  3.612999       11.17703 
1 1 1 -10 -46 35 o 40.631  6.2101  218.689    59.280   381.841    98.158   125.023    74.374   52.668  7.9267  29.441  9.3027  23.22661       12.22183 
1 1 1 -10 -46 36 o 31.321  9.8038  144.947    82.798   178.035    118.975  113.873    115.299  33.724  11.795  29.049  11.331  4.675911       16.35573 
1 1 1 -10 -46 37 o 23.161  9.8787  35.586     97.899   0.0000     0.0000   35.586     97.899   ?       ?       23.161  9.8787  0.000000       9.878714 
1 1 1 -10 -46 38 o 13.525  5.9742  -6.5582    38.482   0.0000     0.0000   -6.5582    38.482   ?       ?       13.525  5.9742  0.000000       5.974248 
1 1 1 -10 -46 39 f 26.123  7.6995  95.516     52.119   0.0000     0.0000   95.516     52.119   ?       ?       26.123  7.6995  0.000000       7.699537 
1 1 1 -10 -46 40 o 76.020  4.0204  726.841    73.894   886.906    134.442  657.553    88.453   81.332  6.8770  71.505  5.1323  9.826622       8.580995 
1 1 1 -10 -46 41 o 59.267  3.9220  442.057    56.081   504.172    95.431   409.290    69.312   61.467  6.4971  56.307  5.1295  5.159882       8.277880 
1 1 1 -10 -46 42 o 10.156  4.7395  -24.2406   28.745   47.779     57.212   -48.5596   33.246   20.708  8.0079  9.6868  4.6782  11.02074       9.274323 
1 1 1 -10 -46 43 o 14.085  5.7571  12.700     31.209   -19.5127   64.993   22.354     35.579   16.506  7.4887  15.849  6.2603  0.6561756      9.760696 
1 1 1 -10 -46 44 o 35.353  5.0303  163.238    41.933   128.286    79.843   176.550    49.275   29.136  9.6733  36.402  5.7714  -7.265593      11.26420 
1 1 1 -10 -46 45 o 16.797  6.2204  31.957     33.648   47.737     68.694   26.976     38.595   21.395  8.6154  16.705  6.5445  4.690495       10.81923 
1 1 1 -10 -46 46 o 19.399  6.4520  49.571     35.514   136.749    72.252   21.798     40.781   30.024  9.1166  16.369  6.6217  13.65545       11.26766 
1 1 1 -10 -46 47 o 39.082  4.8002  198.717    44.563   170.081    82.299   210.596    53.005   32.957  9.6644  39.753  5.6547  -6.795822      11.19713 
1 1 1 -10 -46 48 o 18.600  7.1161  39.169     44.841   -62.5018   90.440   72.309     51.634   17.270  8.1669  22.792  7.7800  -5.522346      11.27948 
1 1 1 -10 -46 49 f 41.634  5.5248  230.706    54.433   180.803    104.206  249.432    63.834   32.655  11.053  42.738  6.3486  -10.08299      12.74638 
1 1 1 -10 -46 50 o 37.439  5.9934  190.224    52.610   228.354    101.396  176.178    61.542   36.988  10.693  35.012  7.4719  1.976879       13.04503 
1 1 1 -10 -46 51 o 53.138  7.3211  398.093    91.887   433.348    161.085  381.089    111.874  47.630  13.384  49.566  9.6492  -1.936405      16.49941 
1 1 1 -10 -46 52 o 33.569  9.0407  174.417    75.283   266.083    140.468  137.476    89.172   37.163  12.827  29.187  10.211  7.976299       16.39502 
1 1 1 -10 -46 53 o 13.877  6.4935  -38.0792   54.561   -87.6873   115.489  -23.8256   61.905   18.644  8.9313  15.633  7.1741  3.010899       11.45580 
1 1 1 -10 -46 54 o 13.508  6.0855  -11.9806   42.041   -170.2944  91.675   30.179     47.308   14.209  7.0432  17.816  7.1583  -3.606725      10.04230 
1 1 1 -10 -46 55 o 41.049  8.1967  247.373    78.782   -161.0085  183.955  339.101    87.182   21.599  10.561  48.767  7.6170  -27.16800      13.02112 
1 1 1 -10 -46 56 o 18.540  7.1911  38.074     46.241   102.774    106.318  22.981     51.352   26.646  10.722  17.575  7.3040  9.070625       12.97364 
1 1 1 -10 -46 57 o 21.914  8.7302  57.252     69.744   373.931    180.420  1.6175     75.622   41.474  14.524  18.566  8.2778  22.90850       16.71742 
1 1 1 -10 -46 58 o 25.210  9.0455  94.370     70.350   101.586    168.522  92.848     77.419   27.774  12.372  25.154  9.4114  2.620642       15.54517 
1 1 1 -10 -46 59 o 14.862  6.9557  -39.2452   62.659   33.738     179.378  -49.3883   66.872   25.568  11.900  14.940  7.0520  10.62805       13.83301 
1 1 1 -10 -46 60 o 16.602  7.5394  -11.9402   66.074   227.659    189.324  -45.1711   70.507   32.068  13.709  15.491  7.2905  16.57740       15.52731 
1 1 1 -10 -45 1  o 16.362  7.2352  -0.4557    56.594   4.2787     91.954   -3.3426    71.804   20.135  9.0417  17.896  8.0164  2.238644       12.08367 
1 1 1 -10 -45 2  o 24.109  8.0525  84.103     55.303   90.996     89.694   79.876     70.243   25.358  9.9640  23.911  8.9611  1.447174       13.40082 
1 1 1 -10 -45 3  o 17.751  7.3813  23.747     52.487   80.013     83.651   -12.7895   67.408   24.373  9.6079  16.908  7.6533  7.464262       12.28352 
1 1 1 -10 -45 4  o 23.120  8.2143  74.546     57.879   29.083     89.697   106.980    75.762   21.363  9.2861  26.612  9.4041  -5.248867      13.21619 
1 1 1 -10 -45 5  o 21.981  8.1675  63.221     58.107   83.923     88.403   47.473     77.103   24.971  9.8664  21.731  8.9838  3.240046       13.34371 
1 1 1 -10 -45 6  o 30.813  8.1102  139.653    61.464   165.952    95.242   120.883    80.461   31.929  10.563  28.098  9.7072  3.831001       14.34620 
1 1 1 -10 -45 7  o 25.869  8.3864  97.081     60.149   133.164    94.902   72.854     77.762   29.230  10.504  23.897  9.3096  5.333464       14.03586 
1 1 1 -10 -45 8  o 57.799  5.2820  435.442    73.258   457.567    106.284  415.416    101.115  56.966  7.9022  54.238  7.9166  2.727577       11.18556 
1 1 1 -10 -45 9  o 65.381  5.0304  551.807    79.191   507.174    115.045  592.000    109.171  59.921  8.1220  66.030  6.9167  -6.108822      10.66808 
1 1 1 -10 -45 10 o 39.931  6.4850  215.492    60.678   200.504    87.903   229.133    83.862   36.246  9.7723  39.468  8.9617  -3.221733      13.25927 
1 1 1 -10 -45 11 o 14.920  6.6145  -7.2709    47.600   11.630     66.578   -27.0340   68.079   18.690  8.0622  16.550  7.5687  2.140045       11.05821 
1 1 1 -10 -45 12 o 24.622  7.5686  83.991     49.600   55.089     74.075   107.482    66.782   22.652  9.0057  27.396  8.8321  -4.744270      12.61378 
1 1 1 -10 -45 13 o 60.582  5.1030  471.474    74.314   485.135    108.451  459.382    102.034  59.458  7.6980  58.084  7.4085  1.373802       10.68389 
1 1 1 -10 -45 14 o 53.622  5.3399  371.275    68.552   390.406    98.687   353.435    95.297   53.219  7.8807  50.471  8.0523  2.747433       11.26696 
1 1 1 -10 -45 15 o 22.411  7.8079  64.667     52.108   63.110     75.002   66.120     72.449   23.554  9.1521  23.658  9.0467  -0.1039410     12.86868 
1 1 1 -10 -45 16 o 27.945  7.7777  108.818    54.673   132.650    77.898   85.682     76.754   30.269  9.5150  25.672  9.4139  4.597240       13.38490 
1 1 1 -10 -45 17 o 44.270  6.0401  256.953    63.188   265.096    88.484   248.478    90.264   43.344  8.7156  41.610  9.1861  1.734024       12.66280 
1 1 1 -10 -45 18 o 89.712  4.4785  1010.72    97.488   924.430    140.257  1091.38    135.599  83.580  6.9799  91.713  6.1287  -8.132111      9.288713 
1 1 1 -10 -45 19 o 57.288  5.1160  418.836    70.367   561.422    103.898  298.011    95.642   65.337  6.6461  46.017  8.8874  19.32006       11.09762 
1 1 1 -10 -45 20 o 53.003  5.1729  359.036    65.679   335.395    95.376   380.359    90.578   49.380  8.2515  53.378  7.1752  -3.998943      10.93483 
1 1 1 -10 -45 21 o 41.757  5.9776  227.673    58.838   299.026    84.905   161.751    81.610   46.944  7.7226  33.469  9.5691  13.47523       12.29658 
1 1 1 -10 -45 22 o 19.507  7.4392  39.463     48.907   4.8723     70.017   72.418     68.343   18.967  8.2245  24.257  8.8849  -5.290186      12.10724 
1 1 1 -10 -45 23 o 23.629  7.6978  73.638     50.650   32.950     72.814   111.783    70.502   21.240  8.7506  28.372  9.0672  -7.131355      12.60110 
1 1 1 -10 -45 24 o 37.482  9.1308  199.624    82.274   33.771     161.846  257.418    95.539   27.768  12.259  42.447  9.5119  -14.67867      15.51672 
1 1 1 -10 -45 25 o 46.055  14.329  357.985    177.183  357.985    177.183  0.0000     0.0000   46.055  14.329  ?       ?       0.000000       14.32943 
1 1 1 -10 -45 26 o 23.866  10.919  -34.6678   141.916  -34.6678   141.916  0.0000     0.0000   23.866  10.919  ?       ?       0.000000       10.91927 
1 1 1 -10 -45 27 o 35.638  13.484  191.958    159.867  191.958    159.867  0.0000     0.0000   35.638  13.484  ?       ?       0.000000       13.48367 
1 1 1 -10 -45 28 o 34.538  9.0642  169.203    76.918   76.804     156.352  198.706    88.348   29.396  12.510  37.124  9.7006  -7.727962      15.83041 
1 1 1 -10 -45 29 o 21.484  8.0927  51.081     57.431   169.413    148.098  30.136     62.307   34.130  12.962  20.012  8.1519  14.11876       15.31261 
1 1 1 -10 -45 30 o 64.892  5.2218  535.873    81.525   561.735    188.667  529.935    90.400   59.430  13.403  64.139  5.8740  -4.708649      14.63375 
1 1 1 -10 -45 31 o 24.635  7.2408  81.734     46.150   155.322    84.967   50.939     54.965   32.824  9.8684  21.271  7.9356  11.55296       12.66329 
1 1 1 -10 -45 32 o 31.461  6.6475  132.638    49.156   122.077    81.760   138.617    61.515   29.523  9.7881  31.633  8.0072  -2.109972      12.64599 
1 1 1 -10 -45 33 o 23.631  7.4746  74.212     48.005   171.209    79.933   19.490     60.038   34.577  9.3172  18.872  7.8748  15.70517       12.19931 
1 1 1 -10 -45 34 o 35.231  6.7075  165.925    55.245   252.718    89.960   113.374    69.999   42.300  9.0392  28.518  9.0265  13.78209       12.77432 
1 1 1 -10 -45 35 f 54.692  4.9845  380.553    65.421   309.281    105.872  424.576    83.208   46.389  9.7172  57.160  6.0934  -10.77073      11.46971 
1 1 1 -10 -45 36 f 26.628  8.4679  97.357     61.549   0.0000     0.0000   97.357     61.549   ?       ?       26.628  8.4679  0.000000       8.467926 
1 1 1 -10 -45 37 o 78.788  4.7923  785.386    91.179   0.0000     0.0000   785.386    91.179   ?       ?       78.788  4.7923  0.000000       4.792259 
1 1 1 -10 -45 38 o 30.092  7.5967  125.321    55.476   0.0000     0.0000   125.321    55.476   ?       ?       30.092  7.5967  0.000000       7.596733 
1 1 1 -10 -45 39 o 22.245  7.0049  65.760     42.199   -52.0618   104.072  88.944     46.165   19.673  9.1255  25.501  7.1645  -5.827509      11.60194 
1 1 1 -10 -45 40 o 13.337  5.7697  -0.5225    34.294   -5.5759    66.532   1.3060     40.020   17.749  7.8470  14.498  6.2523  3.251197       10.03326 
1 1 1 -10 -45 41 o 55.523  5.1497  395.758    68.587   284.992    116.608  454.349    84.809   42.879  11.116  58.950  6.0133  -16.07137      12.63793 
1 1 1 -10 -45 42 f 54.963  4.0266  380.022    53.326   328.089    91.563   406.678    65.599   48.584  8.0489  56.431  4.8376  -7.847275      9.390843 
1 1 1 -10 -45 43 o 15.483  5.9002  23.822     30.750   17.214     62.279   25.953     35.361   18.700  7.9242  16.336  6.3017  2.363625       10.12446 
1 1 1 -10 -45 44 o 27.563  5.7807  101.726    37.426   87.633     69.738   107.427    44.354   25.350  9.0155  27.991  6.6323  -2.641052      11.19231 
1 1 1 -10 -45 45 o 32.195  5.2459  136.042    39.569   132.697    74.519   137.356    46.696   29.921  9.2902  31.875  6.2610  -1.954348      11.20302 
1 1 1 -10 -45 46 o 58.486  4.0655  432.258    57.335   392.867    99.554   451.808    70.135   52.874  8.0107  59.259  4.9222  -6.385254      9.402126 
1 1 1 -10 -45 47 o 52.476  4.2377  350.021    53.498   256.549    94.674   393.870    64.843   41.123  9.6534  55.282  4.8844  -14.15834      10.81879 
1 1 1 -10 -45 48 o 17.615  6.3534  37.175     34.752   81.565     70.066   22.691     40.023   24.465  8.9909  16.405  6.5866  8.060148       11.14540 
1 1 1 -10 -45 49 o 19.079  7.1021  43.251     43.976   36.886     90.165   45.237     50.373   22.111  9.4570  19.777  7.5481  2.333824       12.09996 
1 1 1 -10 -45 50 o 17.379  6.9394  28.026     44.158   122.218    90.980   -1.0007    50.506   28.228  10.265  15.649  6.8811  12.57863       12.35769 
1 1 1 -10 -45 51 f 17.613  7.0167  29.600     45.052   91.806     92.673   10.350     51.554   25.771  10.128  16.625  7.1319  9.146084       12.38674 
1 1 1 -10 -45 52 o 12.638  6.0690  -64.1700   54.058   35.043     111.371  -94.7485   61.830   23.185  10.206  12.644  6.1694  10.54093       11.92570 
1 1 1 -10 -45 53 o 24.347  9.3654  80.373     77.930   0.0000     0.0000   80.373     77.930   ?       ?       24.347  9.3654  0.000000       9.365376 
1 1 1 -10 -45 54 o 22.901  8.5545  69.913     63.911   31.072     117.703  86.153     76.108   23.347  10.374  24.792  9.3205  -1.444979      13.94571 
1 1 1 -10 -45 55 f 15.792  6.6453  13.143     43.309   104.218    99.359   -8.2196    48.121   26.786  10.499  14.762  6.5911  12.02369       12.39627 
1 1 1 -10 -45 56 o 45.083  11.068  334.944    120.174  300.652    169.325  369.748    170.586  38.451  14.000  42.844  14.135  -4.393299      19.89492 
1 1 1 -10 -45 57 o 24.918  7.8274  89.477     52.728   178.327    115.721  66.197     59.234   32.253  11.598  22.366  8.2590  9.887394       14.23836 
1 1 1 -10 -45 58 f 25.898  12.020  20.215     180.946  20.215     180.946  0.0000     0.0000   25.898  12.020  ?       ?       0.000000       12.02010 
1 1 1 -10 -45 59 o 44.790  8.7005  299.563    91.149   177.764    210.292  327.739    101.143  31.369  13.905  46.249  9.3348  -14.87987      16.74805 
1 1 1 -10 -45 60 o 24.131  9.0010  82.991     70.706   -50.5719   177.599  108.148    77.077   23.453  11.191  26.535  9.4737  -3.082851      14.66290 
1 1 1 -10 -45 61 o 26.500  9.2819  109.674    73.686   -148.6987  202.309  149.193    79.121   22.294  10.937  30.282  9.5978  -7.987621      14.55121 
1 1 1 -10 -44 1  o 20.516  7.8494  50.576     54.561   112.961    85.759   8.1539     70.719   27.285  9.9591  18.576  8.1559  8.708912       12.87255 
1 1 1 -10 -44 2  o 24.858  8.2515  89.035     58.098   213.814    95.546   15.832     73.182   36.384  10.337  19.332  8.3955  17.05236       13.31683 
1 1 1 -10 -44 3  o 17.708  7.4290  19.954     53.861   -12.8060   87.967   39.600     68.123   19.201  8.7119  20.616  8.4753  -1.415409      12.15432 
1 1 1 -10 -44 4  o 15.810  7.0167  -5.5576    53.702   86.576     81.888   -75.0810   71.134   25.244  9.6264  14.678  7.0257  10.56644       11.91753 
1 1 1 -10 -44 5  o 45.595  6.6159  282.045    71.056   317.481    113.649  259.303    91.046   44.918  10.599  41.670  9.2465  3.247948       14.06516 
1 1 1 -10 -44 6  o 14.111  6.5144  -30.2444   52.121   -28.9255   82.766   -31.1112   67.096   18.116  8.3068  16.168  7.4380  1.947176       11.15016 
1 1 1 -10 -44 7  o 24.355  7.8941  82.185     53.296   42.386     76.078   120.539    74.684   21.746  8.9502  28.647  9.3481  -6.901091      12.94191 
1 1 1 -10 -44 8  o 19.914  7.5649  44.304     50.450   34.355     71.748   54.034     70.954   20.871  8.6502  22.359  8.8377  -1.487858      12.36654 
1 1 1 -10 -44 9  o 16.174  6.8879  8.2607     47.459   19.199     66.644   -2.9930    67.599   19.331  8.1948  17.952  7.9245  1.378729       11.39968 
1 1 1 -10 -44 10 o 35.751  6.9629  173.919    58.229   185.407    83.431   163.008    81.308   35.456  9.5042  33.221  9.5673  2.234825       13.48564 
1 1 1 -10 -44 11 o 18.281  7.1542  31.673     46.083   -4.4783    65.561   66.978     64.789   17.698  7.8087  23.339  8.6337  -5.640860      11.64116 
1 1 1 -10 -44 12 o 52.180  5.2381  349.446    65.425   317.116    94.933   378.691    90.291   47.652  8.5234  53.121  7.1898  -5.469250      11.15090 
1 1 1 -10 -44 13 o 26.768  7.6187  98.588     51.853   64.852     77.353   126.119    69.879   24.018  9.3049  29.818  8.9459  -5.800493      12.90776 
1 1 1 -10 -44 14 f 43.597  5.9994  248.095    61.784   304.948    88.608   194.298    86.193   47.205  8.0232  36.626  9.5869  10.57872       12.50123 
1 1 1 -10 -44 15 o 39.326  6.5935  205.078    60.690   177.421    87.328   230.913    84.404   34.939  9.8672  40.529  8.8324  -5.589684      13.24282 
1 1 1 -10 -44 16 o 15.952  6.7889  6.1215     46.051   9.6628     63.634   2.2275     66.728   18.576  7.9448  18.436  8.0115  0.1398087      11.28293 
1 1 1 -10 -44 17 o 37.482  6.6111  186.211    57.928   188.821    82.150   183.630    81.698   36.440  9.2692  35.916  9.3010  0.5238113      13.13112 
1 1 1 -10 -44 18 o 62.860  4.7769  498.483    72.314   534.665    104.958  465.786    99.775   63.843  6.8843  59.441  7.0557  4.402824       9.857774 
1 1 1 -10 -44 19 o 36.585  6.4168  176.422    54.885   131.712    79.431   217.273    75.925   30.628  9.6049  39.835  8.1304  -9.206760      12.58405 
1 1 1 -10 -44 20 o 40.899  6.0954  217.809    58.642   228.979    86.476   208.298    79.792   40.446  9.0391  38.709  8.7064  1.737469       12.55016 
1 1 1 -10 -44 21 o 43.205  5.7412  240.748    58.696   216.546    84.701   263.108    81.414   39.319  9.0638  44.116  7.8956  -4.797203      12.02050 
1 1 1 -10 -44 22 o 24.330  7.6772  78.218     50.666   64.945     72.688   90.761     70.662   24.016  9.0906  26.372  9.0977  -2.356354      12.86109 
1 1 1 -10 -44 23 o 46.693  5.5454  279.353    61.599   236.303    88.388   320.008    85.893   41.137  9.0968  49.037  7.4536  -7.900246      11.76038 
1 1 1 -10 -44 24 f 376.788 10.942  20134.58   1000.36  20134.58   1000.36  0.0000     0.0000   376.788 10.942  ?       ?       0.000000       10.94198 
1 1 1 -10 -44 25 o 75.808  6.5944  744.245    120.090  744.245    120.090  0.0000     0.0000   75.808  6.5944  ?       ?       0.000000       6.594375 
1 1 1 -10 -44 26 o 68.118  6.0127  595.227    98.359   532.883    111.509  813.770    208.776  63.580  7.3645  74.370  11.976  -10.79000      14.05943 
1 1 1 -10 -44 27 o 26.910  9.0686  95.784     70.146   -46.2055   147.019  137.635    79.817   24.135  11.068  31.359  9.5947  -7.224003      14.64816 
1 1 1 -10 -44 28 o 58.200  6.5552  439.985    90.959   625.449    180.469  376.826    105.314  65.189  11.846  52.645  8.5369  12.54448       14.60138 
1 1 1 -10 -44 29 o 70.745  6.0117  641.702    102.217  711.486    187.052  611.991    122.053  70.041  11.398  68.072  7.5148  1.969521       13.65264 
1 1 1 -10 -44 30 o 67.018  6.2540  578.882    100.523  828.458    191.759  484.310    118.042  76.415  10.630  59.919  8.3457  16.49608       13.51475 
1 1 1 -10 -44 31 o 38.453  7.5829  199.231    68.235   312.535    145.969  167.548    77.188   44.912  12.783  34.568  9.0840  10.34430       15.68161 
1 1 1 -10 -44 32 o 15.977  6.5991  13.099     41.549   -120.9119  133.691  27.427     43.714   20.574  9.7878  17.750  6.9619  2.823973       12.01121 
1 1 1 -10 -44 33 o 47.137  5.4971  284.469    61.692   315.056    124.531  274.521    71.018   46.191  11.222  45.792  6.5808  0.3988075      13.00921 
1 1 1 -10 -44 34 o 25.915  7.6619  90.500     51.540   97.984     100.836  87.854     59.965   28.226  10.702  25.715  8.3757  2.510162       13.58955 
1 1 1 -10 -44 35 o 23.524  8.2192  69.356     57.763   0.0000     0.0000   69.356     57.763   ?       ?       23.524  8.2192  0.000000       8.219249 
1 1 1 -10 -44 36 o 57.232  4.8498  413.911    66.714   0.0000     0.0000   413.911    66.714   ?       ?       57.232  4.8498  0.000000       4.849761 
1 1 1 -10 -44 37 o 39.688  5.5958  203.472    52.391   0.0000     0.0000   203.472    52.391   ?       ?       39.688  5.5958  0.000000       5.595751 
1 1 1 -10 -44 38 o 11.288  5.0559  -10.7564   28.558   -71.3217   85.518   -3.1549    30.297   17.062  8.0297  12.371  5.3873  4.690193       9.669521 
1 1 1 -10 -44 39 o 37.650  5.8993  185.037    52.123   166.389    94.130   193.284    62.596   33.741  10.436  37.957  7.0563  -4.216370      12.59730 
1 1 1 -10 -44 40 o 29.179  6.6897  114.687    46.352   47.160     87.396   141.115    54.674   23.484  9.6205  32.233  7.1753  -8.749073      12.00164 
1 1 1 -10 -44 41 o 25.847  6.8450  90.542     43.609   117.829    80.614   79.254     51.850   28.987  9.7220  24.315  7.7764  4.672588       12.44946 
1 1 1 -10 -44 42 o 49.471  5.2823  314.318    62.427   267.977    108.648  337.156    76.275   42.294  10.606  50.659  6.3443  -8.365829      12.35900 
1 1 1 -10 -44 43 o 16.120  6.0046  27.384     31.445   -32.4477   61.266   48.784     36.640   15.513  7.1258  19.614  6.5544  -4.100554      9.681797 
1 1 1 -10 -44 44 o 35.617  4.9496  163.550    41.618   131.618    76.635   176.908    49.564   30.143  9.4313  36.707  5.7540  -6.564615      11.04801 
1 1 1 -10 -44 45 o 20.166  6.4701  53.133     35.871   120.586    67.407   26.483     42.369   29.003  8.8055  17.274  6.8288  11.72952       11.14307 
1 1 1 -10 -44 46 o 20.058  6.4237  52.736     35.371   21.732     70.407   63.202     40.908   19.886  8.4261  21.750  6.9021  -1.864380      10.89211 
1 1 1 -10 -44 47 o 20.980  6.4264  58.907     35.795   94.502     70.244   46.421     41.602   26.054  9.0660  19.482  6.9596  6.571606       11.42932 
1 1 1 -10 -44 48 o 29.540  5.7735  116.699    39.899   212.618    76.904   81.372     46.671   38.410  8.4786  24.228  7.3205  14.18188       11.20164 
1 1 1 -10 -44 49 o 41.387  4.7638  220.862    46.966   224.974    87.358   219.191    55.701   38.734  9.3921  40.666  5.8102  -1.932079      11.04398 
1 1 1 -10 -44 50 o 14.970  6.3829  6.7971     40.845   9.1504     88.140   6.1535     46.093   20.500  9.0489  15.675  6.7345  4.824835       11.27989 
1 1 1 -10 -44 51 o 13.248  5.9749  -13.7256   40.658   52.150     86.681   -32.3066   46.036   22.924  9.5052  12.966  6.0329  9.958442       11.25806 
1 1 1 -10 -44 52 o 23.601  7.3285  78.097     46.371   104.724    96.207   70.039     52.924   27.014  10.402  22.677  7.8706  4.336462       13.04387 
1 1 1 -10 -44 53 f 25.870  9.5453  95.690     79.090   0.0000     0.0000   95.690     79.090   ?       ?       25.870  9.5453  0.000000       9.545324 
1 1 1 -10 -44 54 o 22.634  8.6651  64.662     66.515   192.527    129.662  18.996     77.488   33.188  12.226  19.978  8.6574  13.21011       14.98058 
1 1 1 -10 -44 55 o 21.758  8.5469  55.197     65.977   138.521    129.717  26.118     76.629   29.693  11.880  20.359  8.7132  9.333992       14.73313 
1 1 1 -10 -44 56 o 36.322  6.4794  180.638    55.009   162.209    118.655  185.683    62.085   31.282  11.662  36.301  7.3016  -5.018890      13.75899 
1 1 1 -10 -44 57 o 22.156  7.4305  67.069     47.091   236.358    104.248  23.669     52.784   38.082  10.790  17.930  7.4244  20.15242       13.09744 
1 1 1 -10 -44 58 o 16.421  6.9054  14.622     46.716   -59.9110   107.256  32.072     51.897   19.076  8.9824  18.587  7.4871  0.4892445      11.69357 
1 1 1 -10 -44 59 o 57.201  7.3070  455.698    99.099   509.560    224.835  442.711    110.401  46.967  16.227  55.161  8.5233  -8.193817      18.32904 
1 1 1 -10 -44 60 o 23.516  9.0724  72.591     73.298   133.567    198.529  62.967     78.871   30.052  13.405  22.996  9.2416  7.055508       16.28176 
1 1 1 -10 -44 61 o 26.136  9.3238  102.807    74.644   47.894     191.206  112.681    81.077   26.792  12.407  27.053  9.7103  -0.2611580     15.75502 
1 1 1 -10 -43 1  o 24.197  8.0495  82.212     55.278   23.256     92.005   115.515    69.150   21.530  9.3815  27.906  8.9863  -6.375956      12.99101 
1 1 1 -10 -43 2  o 14.984  6.6916  -9.8819    49.628   -43.4620   82.131   9.4307     62.285   17.350  8.0677  17.970  7.7745  -0.6200924     11.20407 
1 1 1 -10 -43 3  o 29.839  7.9247  127.467    58.343   40.385     95.296   179.677    73.788   22.963  9.7694  35.017  8.7181  -12.05396      13.09374 
1 1 1 -10 -43 4  o 20.595  7.7607  49.297     52.825   82.236     83.067   26.930     68.450   25.303  9.6842  19.986  8.3794  5.316233       12.80620 
1 1 1 -10 -43 5  f 29.126  7.9367  120.189    57.620   164.082    89.965   89.661     75.027   32.864  10.208  25.762  9.3285  7.102068       13.82861 
1 1 1 -10 -43 6  o 18.311  7.3135  29.257     49.063   25.085     69.302   33.450     69.470   20.063  8.4225  20.702  8.5402  -0.6386433     11.99474 
1 1 1 -10 -43 7  o 35.076  6.9454  167.072    57.020   105.594    81.123   227.102    80.163   27.598  9.7334  40.079  8.5064  -12.48085      12.92664 
1 1 1 -10 -43 8  o 15.895  6.7572  7.2683     45.529   47.346     63.914   -34.0219   64.873   21.494  8.4215  15.942  7.3264  5.551486       11.16240 
1 1 1 -10 -43 9  o 54.939  5.2521  386.468    69.161   453.832    98.997   322.246    96.661   58.342  7.1423  48.097  8.5983  10.24579       11.17782 
1 1 1 -10 -43 10 o 37.848  6.5271  190.094    57.775   135.512    83.662   239.855    79.882   30.782  9.8815  41.685  8.1900  -10.90267      12.83429 
1 1 1 -10 -43 11 o 30.807  7.4404  129.666    54.992   101.589    80.717   153.987    75.124   27.573  9.7107  32.937  9.0988  -5.363655      13.30736 
1 1 1 -10 -43 12 f 18.822  7.1186  36.686     44.547   57.666     63.024   15.738     62.975   22.589  8.4837  18.975  8.0005  3.614048       11.66113 
1 1 1 -10 -43 13 o 37.355  6.5698  184.377    57.373   150.968    82.665   215.427    79.693   32.577  9.7201  39.430  8.5740  -6.853195      12.96125 
1 1 1 -10 -43 14 f 26.096  7.8851  91.782     54.147   28.124     77.796   151.596    75.411   21.512  8.9692  32.846  9.1318  -11.33482      12.79983 
1 1 1 -10 -43 15 o 43.512  6.1525  245.856    63.145   266.848    94.589   228.980    84.811   43.732  9.2053  40.625  8.8539  3.107140       12.77218 
1 1 1 -10 -43 16 o 28.033  7.5668  106.419    52.668   160.908    71.266   40.844     78.180   34.086  8.6132  22.524  9.1484  11.56184       12.56509 
1 1 1 -10 -43 17 o 70.506  4.7222  623.848    80.319   617.271    114.935  630.125    112.287  68.809  6.9806  69.700  6.7228  -0.8914642     9.691499 
1 1 1 -10 -43 18 o 59.838  4.8479  450.658    69.783   439.193    101.691  460.863    95.937   57.708  7.4353  59.533  6.7614  -1.824493      10.04992 
1 1 1 -10 -43 19 o 46.358  5.5153  274.466    60.821   289.955    87.332   259.878    84.753   46.444  8.0407  43.791  8.2797  2.653099       11.54154 
1 1 1 -10 -43 20 f 44.814  5.6073  257.020    59.638   216.530    85.459   295.457    83.266   39.500  9.1034  47.184  7.5259  -7.683361      11.81144 
1 1 1 -10 -43 21 o 30.751  7.0170  126.302    51.201   162.861    75.154   94.637     69.944   34.282  8.9416  26.897  9.0555  7.385180       12.72615 
1 1 1 -10 -43 22 o 74.515  4.4241  692.728    79.631   739.758    114.625  648.858    110.708  75.977  6.2739  70.990  6.4993  4.987030       9.033403 
1 1 1 -10 -43 23 o 55.342  7.3080  402.069    95.732   402.069    95.732   0.0000     0.0000   55.342  7.3080  ?       ?       0.000000       7.307974 
1 1 1 -10 -43 24 o 22.981  8.8583  53.881     69.832   53.881     69.832   0.0000     0.0000   22.981  8.8583  ?       ?       0.000000       8.858272 
1 1 1 -10 -43 25 o 24.309  10.195  35.814     101.395  -2.6163    130.541  94.260     160.985  24.743  10.962  31.239  12.953  -6.496609      16.96949 
1 1 1 -10 -43 26 o 34.000  7.8607  156.377    63.553   92.205     151.022  170.187    70.058   30.660  12.613  35.318  8.3132  -4.658232      15.10658 
1 1 1 -10 -43 27 o 35.848  5.8009  166.057    48.734   169.151    81.304   164.323    60.883   34.824  9.4023  35.051  7.3914  -0.2271118     11.95975 
1 1 1 -10 -43 28 f 24.026  6.9607  76.173     42.924   111.278    74.916   59.017     52.372   28.782  9.3612  22.188  7.8212  6.594910       12.19848 
1 1 1 -10 -43 29 f 33.564  7.4399  151.122    59.000   13.930     143.858  178.864    64.691   26.481  11.629  36.540  7.5463  -10.05902      13.86323 
1 1 1 -10 -43 30 o 48.508  6.6374  305.871    76.073   351.246    151.525  290.580    87.962   48.168  12.761  46.543  8.0821  1.625122       15.10498 
1 1 1 -10 -43 31 o 69.024  5.9421  607.700    98.549   409.092    182.641  689.273    117.051  50.819  14.241  73.086  6.6741  -22.26708      15.72736 
1 1 1 -10 -43 32 o 24.159  7.9962  74.908     54.574   91.626     139.063  71.864     59.333   29.988  12.193  24.032  8.3339  5.956371       14.76907 
1 1 1 -10 -43 33 o 33.188  8.1534  150.244    65.185   249.334    149.898  127.135    72.388   40.439  13.246  30.414  9.1007  10.02464       16.07107 
1 1 1 -10 -43 34 o 34.746  7.6347  162.733    62.609   0.0000     0.0000   162.733    62.609   ?       ?       34.746  7.6347  0.000000       7.634698 
1 1 1 -10 -43 35 o 52.288  6.1117  351.905    76.077   0.0000     0.0000   351.905    76.077   ?       ?       52.288  6.1117  0.000000       6.111706 
1 1 1 -10 -43 36 o 52.536  4.9504  348.517    62.362   0.0000     0.0000   348.517    62.362   ?       ?       52.536  4.9504  0.000000       4.950449 
1 1 1 -10 -43 37 o 26.922  5.8079  95.134     36.825   111.178    87.050   91.637     40.641   28.942  10.091  26.261  6.4296  2.680313       11.96551 
1 1 1 -10 -43 38 o 28.428  5.4198  105.035    36.020   58.097     64.239   126.560    43.502   22.839  8.5675  31.078  5.9860  -8.239679      10.45157 
1 1 1 -10 -43 39 o 26.034  5.7101  89.049     35.078   92.983     63.739   87.340     42.013   26.421  8.6367  25.566  6.6938  0.8550739      10.92704 
1 1 1 -10 -43 40 o 35.262  4.9250  158.805    40.988   127.191    74.454   172.552    49.097   30.217  9.2703  36.476  5.7368  -6.258337      10.90183 
1 1 1 -10 -43 41 o 20.905  6.9295  55.319     40.978   15.483     81.659   68.727     47.375   21.011  8.9935  22.972  7.4424  -1.961624      11.67352 
1 1 1 -10 -43 42 o 26.299  6.8902  93.273     44.495   20.424     82.258   123.405    52.903   21.339  9.0773  30.121  7.3121  -8.782053      11.65605 
1 1 1 -10 -43 43 o 21.266  6.9892  58.065     41.720   -6.9910    80.176   82.221     48.856   19.424  8.5993  24.708  7.4953  -5.284832      11.40733 
1 1 1 -10 -43 44 o 37.156  4.8146  176.479    42.386   176.985    76.961   176.259    50.781   35.257  8.9735  36.683  5.9057  -1.425579      10.74250 
1 1 1 -10 -43 45 o 10.319  4.7945  -23.3461   28.908   85.469     61.129   -54.6900   32.808   25.229  8.4659  9.3452  4.5452  15.88354       9.608862 
1 1 1 -10 -43 46 o 31.913  5.3620  132.923    40.047   172.050    75.519   117.615    47.236   34.608  8.9326  29.428  6.7578  5.180260       11.20086 
1 1 1 -10 -43 47 o 16.458  6.2248  27.762     34.064   61.980     70.900   17.493     38.841   23.212  8.9318  15.874  6.4480  7.337518       11.01608 
1 1 1 -10 -43 48 o 22.606  6.5381  69.057     37.899   91.528     72.514   60.612     44.454   25.948  9.1970  21.537  7.2194  4.411224       11.69209 
1 1 1 -10 -43 49 o 11.811  5.3160  -12.2588   31.991   44.761     67.823   -28.5743   36.280   21.388  8.5789  11.490  5.3495  9.897085       10.11006 
1 1 1 -10 -43 50 o 12.711  5.5812  -4.2801    33.123   82.467     70.490   -28.8611   37.523   24.836  9.0345  11.701  5.4451  13.13500       10.54854 
1 1 1 -10 -43 51 o 15.828  6.6067  13.392     42.275   114.339    91.732   -13.8291   47.635   28.071  10.292  14.443  6.4948  13.62791       12.16979 
1 1 1 -10 -43 52 o 20.318  7.4900  50.308     48.679   251.488    150.527  26.810     51.444   37.249  13.246  18.163  7.4040  19.08672       15.17449 
1 1 1 -10 -43 53 o 15.973  6.7133  12.756     44.115   44.694     93.884   3.7058     49.976   22.979  9.7329  16.012  6.9457  6.966963       11.95709 
1 1 1 -10 -43 54 o 21.808  8.2723  58.268     60.269   26.584     128.065  67.281     68.305   24.131  10.765  23.083  8.7943  1.048279       13.90046 
1 1 1 -10 -43 55 o 43.228  8.4377  270.838    85.325   327.732    161.909  248.962    100.398  41.485  13.775  39.742  10.320  1.743240       17.21201 
1 1 1 -10 -43 56 o 41.576  6.1709  232.401    60.364   451.083    150.363  190.386    65.908   51.804  12.169  36.617  7.6641  15.18676       14.38151 
1 1 1 -10 -43 57 o 17.385  7.0099  25.808     45.542   21.180     106.058  26.854     50.428   22.493  9.9276  18.018  7.3361  4.475456       12.34408 
1 1 1 -10 -43 58 o 18.727  7.2445  37.477     46.837   -25.8068   107.343  52.359     52.053   20.496  9.4211  20.723  7.7244  -0.2273426     12.18289 
1 1 1 -10 -43 59 o 28.267  9.4657  119.739    76.419   35.641     198.439  134.382    82.805   27.632  12.741  29.618  9.8520  -1.985947      16.10548 
1 1 1 -10 -43 60 o 37.147  9.2441  209.284    82.986   15.293     201.017  249.138    91.113   26.982  12.572  40.461  9.4514  -13.47924      15.72824 
1 1 1 -10 -43 61 o 13.655  6.5484  -70.0399   62.466   -93.2932   176.036  -66.6901   66.813   22.850  10.968  14.382  6.8635  8.467616       12.93813 
1 1 1 -10 -43 62 o 22.470  8.9110  61.538     72.356   -87.8235   191.352  86.456     78.159   23.502  11.319  24.783  9.4156  -1.281378      14.72323 
1 1 1 -10 -42 1  f 42.879  6.1490  244.528    62.145   220.445    100.654  259.364    79.001   37.608  10.584  43.064  7.8497  -5.456860      13.17694 
1 1 1 -10 -42 2  f 24.325  7.9126  81.039     53.524   124.043    85.111   52.906     68.840   29.150  9.9884  22.168  8.7232  6.982107       13.26133 
1 1 1 -10 -42 3  o 29.081  7.6498  118.228    54.704   63.019     88.119   152.846    69.778   24.321  9.7704  32.600  8.6706  -8.279102      13.06298 
1 1 1 -10 -42 4  o 21.484  7.7334  56.626     51.459   46.847     81.508   63.107     66.355   22.796  9.3093  23.071  8.6971  -0.2748909     12.73975 
1 1 1 -10 -42 5  o 14.150  6.3591  -15.3478   45.578   -59.4296   64.447   28.763     64.468   14.674  6.9255  20.000  8.2360  -5.325862      10.76076 
1 1 1 -10 -42 6  o 10.832  5.2431  -64.2585   42.319   -48.0706   60.768   -79.5020   58.969   14.690  6.8670  13.041  6.2816  1.648278       9.306692 
1 1 1 -10 -42 7  o 37.258  6.6484  184.574    57.899   226.704    83.362   145.309    80.478   40.203  8.7906  31.867  9.6094  8.335871       13.02366 
1 1 1 -10 -42 8  o 28.408  7.7634  110.550    55.038   103.879    82.650   115.866    73.774   27.912  9.8267  28.924  9.2785  -1.011776      13.51503 
1 1 1 -10 -42 9  o 55.552  5.1103  391.605    68.110   342.988    98.401   436.319    94.369   50.173  8.3782  57.679  6.8785  -7.505951      10.84016 
1 1 1 -10 -42 10 o 35.186  6.4751  163.254    53.244   236.905    77.235   96.554     73.500   41.848  7.8958  27.067  9.2820  14.78100       12.18600 
1 1 1 -10 -42 11 o 55.591  5.0230  390.691    67.022   431.238    98.606   355.874    91.375   57.230  7.2645  51.798  7.4875  5.432339       10.43244 
1 1 1 -10 -42 12 f 36.711  6.1969  175.814    53.234   174.723    76.653   176.830    73.987   35.465  8.9169  35.803  8.6201  -0.3373032     12.40232 
1 1 1 -10 -42 13 o 41.157  6.1029  219.354    59.099   259.912    84.484   180.490    82.701   43.833  8.2461  35.906  9.3870  7.926807       12.49456 
1 1 1 -10 -42 14 o 52.217  5.2330  345.342    65.409   334.014    93.683   356.116    91.366   50.007  7.9898  51.956  7.4616  -1.948589      10.93214 
1 1 1 -10 -42 15 o 16.004  6.7385  7.8385     44.575   10.417     59.361   4.5042     67.499   18.291  7.7428  18.890  8.1331  -0.5990772     11.22938 
1 1 1 -10 -42 16 o 44.240  5.6875  250.384    59.639   295.274    83.235   203.023    85.495   47.262  7.5093  38.237  9.3036  9.025726       11.95600 
1 1 1 -10 -42 17 o 88.665  4.3289  975.421    93.131   1022.64    132.701  929.590    130.735  89.603  6.1406  85.262  6.3652  4.341095       8.844404 
1 1 1 -10 -42 18 o 63.059  4.6471  497.362    70.603   496.804    101.470  497.885    98.302   61.953  6.8655  62.156  6.6199  -0.2025108     9.537230 
1 1 1 -10 -42 19 o 69.743  4.4518  606.252    74.942   526.626    108.451  679.022    103.677  63.660  7.1444  73.112  5.8943  -9.452751      9.262079 
1 1 1 -10 -42 20 o 30.085  7.0423  120.442    50.500   69.208     72.368   169.071    70.504   24.633  9.1223  35.268  8.3654  -10.63508      12.37723 
1 1 1 -10 -42 21 o 49.054  5.2617  304.460    61.649   288.091    89.622   319.162    84.937   46.368  8.2691  49.338  7.3167  -2.970394      11.04144 
1 1 1 -10 -42 22 o 103.723 6.2205  1368.10    155.832  1368.10    155.832  0.0000     0.0000   103.723 6.2205  ?       ?       0.000000       6.220516 
1 1 1 -10 -42 23 o 49.367  7.8898  322.963    91.325   322.963    91.325   0.0000     0.0000   49.367  7.8898  ?       ?       0.000000       7.889771 
1 1 1 -10 -42 24 o 81.935  4.4007  834.852    87.168   875.527    122.938  793.730    123.613  82.963  6.1509  78.744  6.5285  4.219231       8.969698 
1 1 1 -10 -42 25 o 77.261  4.2326  741.166    79.046   652.886    116.428  816.651    107.661  71.206  6.8222  80.463  5.5483  -9.257027      8.793561 
1 1 1 -10 -42 26 o 77.741  4.1288  749.521    77.602   726.690    117.990  766.926    103.019  75.339  6.5187  78.004  5.4777  -2.665253      8.514589 
1 1 1 -10 -42 27 o 76.878  4.1390  733.096    76.923   724.601    116.992  739.565    102.094  75.260  6.4695  76.566  5.5327  -1.305786      8.512650 
1 1 1 -10 -42 28 o 79.743  4.1464  788.680    79.951   857.406    121.067  735.527    106.471  82.122  6.1197  76.210  5.8014  5.912476       8.432487 
1 1 1 -10 -42 29 o 42.836  5.1919  232.513    52.861   233.817    90.698   231.842    65.052   41.214  9.2916  42.260  6.5565  -1.046284      11.37195 
1 1 1 -10 -42 30 o 102.775 4.1095  1306.43    102.481  1395.11    151.573  1231.76    139.090  104.945 5.9772  98.690  5.8344  6.254707       8.352680 
1 1 1 -10 -42 31 o 45.708  6.7978  271.792    73.097   337.051    145.353  249.701    84.569   47.729  12.429  43.048  8.3979  4.680328       14.99986 
1 1 1 -10 -42 32 o 31.968  7.7980  137.586    59.948   134.865    133.123  138.279    67.141   32.631  12.314  31.868  8.5190  0.7628422      14.97382 
1 1 1 -10 -42 33 o 56.298  7.4376  414.940    99.112   0.0000     0.0000   414.940    99.112   ?       ?       56.298  7.4376  0.000000       7.437642 
1 1 1 -10 -42 34 o 53.211  7.5634  372.328    94.905   0.0000     0.0000   372.328    94.905   ?       ?       53.211  7.5634  0.000000       7.563415 
1 1 1 -10 -42 35 o 78.906  5.8480  789.878    111.168  907.986    191.984  730.300    136.353  81.481  9.9149  74.731  7.6265  6.750099       12.50878 
1 1 1 -10 -42 36 o 42.124  4.3000  222.194    43.334   207.839    81.722   227.810    51.112   38.928  8.8521  42.409  5.0675  -3.480782      10.19992 
1 1 1 -10 -42 37 o 12.353  5.3894  -4.2991    30.449   -14.6193   59.600   -0.6541    35.420   16.577  7.3728  13.681  5.8910  2.895692       9.437315 
1 1 1 -10 -42 38 o 56.019  3.9297  389.824    53.076   292.700    88.805   443.798    66.201   46.714  8.1301  59.531  4.6192  -12.81723      9.350700 
1 1 1 -10 -42 39 o 41.738  4.3348  218.534    43.259   258.995    75.010   198.371    52.953   44.297  7.2282  39.268  5.7260  5.028202       9.221376 
1 1 1 -10 -42 40 o 32.461  5.0298  134.806    38.335   175.441    71.659   118.513    45.374   35.788  8.3969  29.945  6.4365  5.843060       10.57996 
1 1 1 -10 -42 41 o 49.733  4.0759  308.629    48.752   381.211    84.007   271.770    59.865   54.217  6.5163  46.141  5.4525  8.076481       8.496576 
1 1 1 -10 -42 42 o 35.006  6.3652  161.023    52.074   267.856    91.639   110.076    63.284   44.057  8.8792  28.402  8.5115  15.65432       12.29986 
1 1 1 -10 -42 43 o 56.888  5.2295  410.929    71.376   402.149    125.700  415.108    86.710   53.265  10.095  56.549  6.4340  -3.284348      11.97141 
1 1 1 -10 -42 44 o 34.119  6.5495  154.373    52.250   199.845    100.919  137.719    61.073   36.916  10.667  31.652  7.9601  5.264046       13.30952 
1 1 1 -10 -42 45 o 39.677  4.7517  200.161    44.836   226.872    79.777   187.829    54.208   40.510  8.3921  37.871  6.1068  2.638943       10.37881 
1 1 1 -10 -42 46 o 12.843  5.5007  1.0953     30.582   5.7404     63.516   -0.3065    34.893   18.259  7.8754  13.522  5.8347  4.737076       9.801313 
1 1 1 -10 -42 47 o 13.499  5.7132  4.4203     32.311   90.109     66.123   -22.4597   37.034   25.901  8.8043  12.117  5.5564  13.78369       10.41103 
1 1 1 -10 -42 48 o 17.876  6.2680  38.150     33.607   69.882     69.730   28.549     38.355   23.961  8.9384  17.097  6.5718  6.863861       11.09435 
1 1 1 -10 -42 49 o 30.912  5.8283  126.550    42.112   214.348    79.433   92.225     49.666   38.831  8.6521  25.867  7.4856  12.96387       11.44085 
1 1 1 -10 -42 50 o 26.435  6.1884  94.302     38.993   195.344    75.104   57.015     45.624   36.997  8.5396  21.141  7.3093  15.85569       11.24056 
1 1 1 -10 -42 51 o 33.295  6.0732  148.076    47.257   88.492     80.480   179.431    58.382   25.850  9.6107  36.296  6.8808  -10.44678      11.81991 
1 1 1 -10 -42 52 o 16.669  6.8280  19.307     44.017   105.913    88.781   -8.9201    50.685   27.459  10.116  15.280  6.7974  12.17956       12.18778 
1 1 1 -10 -42 53 o 12.400  5.7099  -24.1811   39.675   -72.3868   90.160   -12.6041   44.184   17.168  8.1293  13.984  6.2743  3.184177       10.26898 
1 1 1 -10 -42 54 o 31.623  6.9551  138.630    51.915   211.515    101.638  112.901    60.387   36.454  10.754  27.956  8.3002  8.497850       13.58484 
1 1 1 -10 -42 55 o 19.538  8.0591  30.557     61.855   -50.2938   125.619  56.434     71.067   21.157  9.8846  22.394  8.8469  -1.236654      13.26546 
1 1 1 -10 -42 56 o 22.887  8.7149  64.850     67.053   212.488    132.008  13.513     77.843   35.164  12.415  19.859  8.6417  15.30429       15.12630 
1 1 1 -10 -42 57 o 26.878  7.4963  102.245    50.733   109.935    106.620  99.994     57.682   27.940  10.896  26.430  8.1682  1.510233       13.61805 
1 1 1 -10 -42 58 o 16.095  6.8363  10.009     46.528   -52.6207   106.544  24.768     51.721   19.493  9.1060  18.031  7.3955  1.462130       11.73079 
1 1 1 -10 -42 59 o 17.514  7.0802  25.399     46.588   -24.0565   107.046  36.955     51.746   20.649  9.4606  19.175  7.5574  1.473867       12.10855 
1 1 1 -10 -42 60 o 32.561  10.108  164.839    88.220   0.0000     0.0000   164.839    88.220   ?       ?       32.561  10.108  0.000000       10.10791 
1 1 1 -10 -42 61 o 30.886  9.6613  146.476    80.423   477.254    199.412  82.224     87.887   48.401  15.225  25.170  9.8717  23.23090       18.14540 
1 1 1 -10 -42 62 o 30.882  9.6179  148.022    79.800   -42.7012   202.199  183.210    86.850   25.424  12.078  34.098  9.9078  -8.673704      15.62195 
1 1 1 -10 -41 1  o 27.513  7.6826  105.165    53.252   1.9394     84.612   172.875    68.527   20.204  8.8947  35.048  8.2033  -14.84385      12.09995 
1 1 1 -10 -41 2  o 25.383  7.9943  87.873     54.960   120.135    89.766   68.528     69.512   29.233  10.244  23.846  8.9187  5.387270       13.58275 
1 1 1 -10 -41 3  o 33.850  7.1567  155.426    56.942   205.886    90.550   122.419    73.235   37.594  9.8194  29.457  9.2202  8.137213       13.46974 
1 1 1 -10 -41 4  o 51.556  5.2611  339.554    64.891   440.089    95.341   252.786    88.573   57.751  6.9430  42.484  8.8784  15.26678       11.27082 
1 1 1 -10 -41 5  o 42.908  5.8920  238.611    59.724   264.638    84.600   212.753    84.325   43.992  8.2281  38.871  9.1011  5.121792       12.26909 
1 1 1 -10 -41 6  o 42.903  5.8991  238.066    59.784   299.446    84.784   177.366    84.313   47.286  7.6509  35.331  9.5895  11.95493       12.26768 
1 1 1 -10 -41 7  o 39.642  6.0481  204.025    56.333   213.490    80.879   195.107    78.509   39.320  8.7071  37.517  8.7799  1.802536       12.36526 
1 1 1 -10 -41 8  o 66.865  4.6672  560.487    75.248   541.037    109.166  578.093    103.865  64.354  7.1099  66.939  6.4756  -2.585587      9.616871 
1 1 1 -10 -41 9  o 34.669  6.6638  158.452    54.020   152.824    78.550   163.503    74.408   33.130  9.3588  34.391  8.8616  -1.261669      12.88862 
1 1 1 -10 -41 10 o 29.521  7.0797  116.410    50.058   103.171    72.328   128.581    69.350   27.906  9.2041  30.643  8.8390  -2.737246      12.76095 
1 1 1 -10 -41 11 o 35.679  6.2759  165.849    52.347   233.214    75.929   104.824    72.267   41.801  7.7723  28.112  9.1967  13.68849       12.04109 
1 1 1 -10 -41 12 o 21.815  7.5582  57.469     48.796   -5.9459    69.102   120.538    68.914   18.449  8.0821  29.804  8.8709  -11.35436      12.00058 
1 1 1 -10 -41 13 o 100.111 4.3709  1242.87    106.174  1242.14    151.866  1243.56    148.497  98.706  6.3750  98.876  6.2213  -0.1701279     8.907601 
1 1 1 -10 -41 14 o 20.243  7.5200  43.456     49.254   57.661     69.795   29.365     69.517   23.427  8.8983  21.017  8.5917  2.409895       12.36916 
1 1 1 -10 -41 15 o 52.523  5.1363  347.597    64.620   376.390    92.530   320.184    90.285   53.715  7.2875  49.222  7.8211  4.493252       10.69004 
1 1 1 -10 -41 16 o 18.207  7.1851  26.823     46.829   85.038     66.399   -30.7929   66.056   25.931  8.8226  16.602  7.5390  9.329536       11.60495 
1 1 1 -10 -41 17 o 23.235  7.3501  69.211     46.419   70.892     65.601   67.525     65.690   24.435  8.7384  24.102  8.7286  0.3332310      12.35098 
1 1 1 -10 -41 18 o 67.949  4.4292  574.371    72.626   467.414    105.122  672.039    100.454  59.948  7.3831  72.937  5.7221  -12.98943      9.340861 
1 1 1 -10 -41 19 o 67.871  4.4593  573.129    73.028   514.291    106.169  625.966    100.610  63.110  7.0539  70.276  5.9562  -7.165878      9.232223 
1 1 1 -10 -41 20 o 106.588 4.7086  1410.94    121.778  1468.33    155.675  1320.43    195.484  107.833 5.9731  100.627 8.0743  7.205406       10.04352 
1 1 1 -10 -41 21 o 94.767  6.1059  1136.58    139.653  1136.58    139.653  0.0000     0.0000   94.767  6.1059  ?       ?       0.000000       6.105865 
1 1 1 -10 -41 22 o 20.479  8.3820  26.131     66.266   26.131     66.266   0.0000     0.0000   20.479  8.3820  ?       ?       0.000000       8.381989 
1 1 1 -10 -41 23 o 72.342  4.4436  650.260    77.622   626.756    110.136  673.457    109.415  70.059  6.5552  72.800  6.2549  -2.741325      9.060592 
1 1 1 -10 -41 24 o 23.552  6.8113  72.262     41.134   59.582     70.992   78.671     50.469   23.789  8.9890  24.651  7.6440  -0.8618946     11.79972 
1 1 1 -10 -41 25 o 70.171  4.1651  610.114    70.599   681.561    108.290  557.297    93.106   73.306  6.1448  66.386  5.8396  6.920685       8.476976 
1 1 1 -10 -41 26 o 71.409  4.1716  631.791    71.965   731.147    110.272  558.082    94.979   76.004  6.0290  66.377  5.9607  9.626274       8.478168 
1 1 1 -10 -41 27 o 26.670  6.5457  93.517     42.043   76.523     74.249   101.538    51.009   25.579  9.2773  27.664  7.4382  -2.085218      11.89091 
1 1 1 -10 -41 28 o 71.630  4.1803  635.807    72.339   627.400    112.740  641.691    94.314   70.015  6.7188  71.430  5.4835  -1.415466      8.672483 
1 1 1 -10 -41 29 o 19.857  6.8433  46.595     39.976   57.909     77.783   42.534     46.602   24.176  9.3406  19.938  7.3317  4.237810       11.87433 
1 1 1 -10 -41 30 o 90.746  4.1012  1016.68    90.302   1082.11    136.846  966.216    120.184  92.456  6.1349  87.604  5.6848  4.852043       8.363847 
1 1 1 -10 -41 31 o 102.572 4.0848  1298.92    101.664  1385.26    150.801  1226.98    137.646  104.758 5.9573  98.692  5.7732  6.066780       8.295722 
1 1 1 -10 -41 32 o 63.517  5.7121  510.086    87.093   0.0000     0.0000   510.086    87.093   ?       ?       63.517  5.7121  0.000000       5.712121 
1 1 1 -10 -41 33 o 60.010  7.2850  467.257    103.900  0.0000     0.0000   467.257    103.900  ?       ?       60.010  7.2850  0.000000       7.284990 
1 1 1 -10 -41 34 o 22.093  7.8106  57.277     52.267   83.201     124.530  51.733     57.585   29.104  11.642  21.908  8.1326  7.195873       14.20123 
1 1 1 -10 -41 35 o 26.575  7.6031  93.623     51.504   152.600    90.525   65.395     62.629   33.281  10.224  23.687  8.5309  9.594479       13.31561 
1 1 1 -10 -41 36 o 43.230  6.3702  241.192    64.816   147.074    108.751  293.044    80.720   32.972  11.291  47.338  7.2591  -14.36628      13.42293 
1 1 1 -10 -41 37 o 14.655  5.7666  16.568     30.082   -56.6110   80.271   28.525     32.447   17.269  8.0118  16.599  6.1156  0.6699753      10.07915 
1 1 1 -10 -41 38 o 93.061  3.6751  1066.79    82.986   1100.55    129.671  1043.38    107.998  93.349  5.7530  91.386  4.8882  1.963287       7.549242 
1 1 1 -10 -41 39 o 23.674  5.9794  73.454     34.356   84.465     62.527   68.692     41.119   25.670  8.5621  22.972  6.8557  2.698214       10.96862 
1 1 1 -10 -41 40 o 22.312  6.0874  65.107     33.871   41.754     62.614   74.768     40.272   21.331  8.3416  23.842  6.6893  -2.510870      10.69249 
1 1 1 -10 -41 41 o 22.084  6.2861  63.693     35.299   97.515     67.643   51.036     41.380   27.218  8.8973  20.483  6.9649  6.735228       11.29915 
1 1 1 -10 -41 42 f 34.646  4.9713  152.836    40.594   136.983    72.661   160.029    48.945   31.545  9.0325  35.130  5.9547  -3.584459      10.81875 
1 1 1 -10 -41 43 o 62.241  5.0515  488.215    75.629   599.323    129.107  430.171    93.316   67.166  8.0844  57.527  6.8180  9.639160       10.57560 
1 1 1 -10 -41 44 o 46.036  5.6233  271.345    61.508   124.564    109.668  338.708    74.294   30.773  11.258  51.282  6.0897  -20.50899      12.79908 
1 1 1 -10 -41 45 o 38.679  6.1119  194.770    55.456   184.992    102.121  198.860    66.042   35.701  10.838  38.556  7.3273  -2.854641      13.08252 
1 1 1 -10 -41 46 o 42.982  4.5424  233.168    46.655   253.278    84.465   224.338    55.968   42.977  8.4010  41.707  5.6781  1.269821       10.13986 
1 1 1 -10 -41 47 o 40.187  4.7303  205.087    45.241   148.737    83.111   228.816    53.932   32.281  9.7724  42.208  5.3891  -9.927101      11.15982 
1 1 1 -10 -41 48 o 30.762  5.5870  123.722    40.165   38.487     77.069   155.505    47.062   22.049  9.0336  34.473  5.8345  -12.42447      10.75395 
1 1 1 -10 -41 49 o 25.523  6.4345  87.630     39.838   100.946    76.760   82.721     46.607   27.286  9.4782  24.714  7.2801  2.572193       11.95140 
1 1 1 -10 -41 50 o 10.495  4.8928  -25.9244   30.514   9.9329     62.836   -36.9900   34.907   18.389  7.8807  10.733  5.0752  7.655689       9.373565 
1 1 1 -10 -41 51 f 24.983  6.4207  84.452     39.133   -30.9872   79.896   120.887    44.886   17.960  8.2081  29.976  6.3678  -12.01533      10.38851 
1 1 1 -10 -41 52 o 26.829  7.3764  99.835     49.512   192.612    102.395  71.523     56.565   35.296  10.879  23.354  8.1350  11.94272       13.58392 
1 1 1 -10 -41 53 o 14.693  6.4322  -2.8510    43.702   -41.0276   96.240   7.0663     49.051   19.149  8.8446  16.284  6.9704  2.864557       11.26108 
1 1 1 -10 -41 54 o 82.293  4.4465  858.005    88.457   1059.41    157.388  765.013    106.946  88.261  7.4180  76.567  5.7996  11.69444       9.416018 
1 1 1 -10 -41 55 o 21.242  8.3859  47.669     63.813   -3.5285    125.740  65.429     74.059   23.058  10.443  23.444  9.0984  -0.3852787     13.85088 
1 1 1 -10 -41 56 o 18.184  7.7856  12.968     61.223   -16.3354   125.031  22.210     70.217   22.470  10.269  19.782  8.4002  2.687273       13.26674 
1 1 1 -10 -41 57 o 23.458  8.6983  70.527     65.840   -5.6160    133.460  95.019     75.692   23.469  10.680  26.124  9.3817  -2.654465      14.21549 
1 1 1 -10 -41 58 o 18.187  7.1792  31.455     46.766   -57.7388   100.148  56.329     52.886   18.771  8.7878  21.333  7.8156  -2.562534      11.76044 
1 1 1 -10 -41 59 o 44.591  6.2776  265.317    66.041   359.152    187.363  252.005    70.570   43.071  14.817  42.979  7.0086  0.9131241E-01  16.39079 
1 1 1 -10 -41 60 o 18.649  7.8536  20.066     60.568   11.651     102.206  24.621     75.193   21.970  9.7188  20.421  8.6826  1.549732       13.03234 
1 1 1 -10 -41 61 o 22.844  9.1883  56.004     78.035   47.703     171.265  58.179     87.664   27.363  12.309  23.600  9.6480  3.762213       15.63955 
1 1 1 -10 -41 62 o 18.108  8.1641  -12.9184   75.842   285.936    190.897  -68.9315   82.645   37.826  14.628  16.366  7.7592  21.46017       16.55825 
1 1 1 -10 -41 63 f 32.150  10.075  163.374    87.416   243.739    210.988  146.720    96.048   34.840  14.664  30.373  10.599  4.466825       18.09403 
1 1 1 -10 -40 1  o 30.047  9.2940  127.164    74.660   157.592    96.892   82.694     117.134  32.893  10.642  27.737  11.222  5.156160       15.46539 
1 1 1 -10 -40 2  o 51.320  7.3011  350.152    88.351   403.220    113.098  267.056    141.524  54.027  8.9400  41.253  12.802  12.77438       15.61444 
1 1 1 -10 -40 3  o 75.725  6.1434  737.039    111.906  716.484    143.120  769.375    179.508  73.093  8.2118  73.867  10.295  -0.7736206     13.16923 
1 1 1 -10 -40 4  o 44.886  7.7462  269.892    81.318   224.508    97.665   372.460    146.823  39.634  10.120  49.754  12.245  -10.12003      15.88562 
1 1 1 -10 -40 5  o 32.699  9.0343  148.220    74.057   143.657    86.713   160.517    142.363  32.096  10.031  34.246  12.772  -2.149704      16.24034 
1 1 1 -10 -40 6  o 40.786  7.9942  223.765    76.285   290.384    89.147   41.572     147.425  46.490  8.2026  27.995  12.036  18.49566       14.56542 
1 1 1 -10 -40 7  o 44.965  8.1987  271.360    86.155   207.421    101.584  435.214    162.618  38.169  10.594  54.126  12.615  -15.95734      16.47365 
1 1 1 -10 -40 8  o 30.121  9.0011  123.167    70.847   113.063    81.894   153.224    141.245  29.238  9.7988  34.093  12.721  -4.854784      16.05723 
1 1 1 -10 -40 9  o 33.448  8.9178  153.152    73.698   128.747    85.756   222.091    144.132  30.874  10.014  38.996  12.999  -8.121906      16.40924 
1 1 1 -10 -40 10 o 41.122  8.2343  226.880    79.295   202.098    93.250   291.596    150.690  38.067  9.9753  44.182  13.110  -6.114910      16.47370 
1 1 1 -10 -40 11 o 37.211  6.3045  179.415    54.890   151.489    77.678   207.267    77.574   33.256  9.2760  39.216  8.4051  -5.960224      12.51757 
1 1 1 -10 -40 12 o 54.445  5.0407  372.275    65.835   336.660    93.795   406.860    92.428   50.529  7.9097  56.125  6.9345  -5.596088      10.51906 
1 1 1 -10 -40 13 f 79.902  4.4488  792.998    85.908   745.115    121.385  841.052    121.601  76.379  6.6151  81.418  6.2020  -5.038849      9.067733 
1 1 1 -10 -40 14 o 66.934  4.5432  557.563    73.349   669.208    102.988  442.640    104.489  72.762  5.8837  58.299  7.5650  14.46283       9.583712 
1 1 1 -10 -40 15 o 64.723  4.6179  521.726    72.045   487.631    102.044  555.612    101.731  61.565  6.9529  66.020  6.4322  -4.455318      9.471910 
1 1 1 -10 -40 16 o 31.914  7.1972  134.637    54.403   133.200    75.464   136.192    78.502   31.413  9.2665  31.739  9.4727  -0.3254414     13.25146 
1 1 1 -10 -40 17 o 89.320  4.1699  984.519    90.372   929.741    130.754  1034.62    125.046  85.653  6.3364  90.736  5.7088  -5.083076      8.528825 
1 1 1 -10 -40 18 o 75.015  4.3149  697.214    78.207   727.524    112.837  669.191    108.495  75.816  6.1877  72.683  6.2116  3.133316       8.767651 
1 1 1 -10 -40 19 f 79.103  4.7577  778.194    90.893   744.502    117.418  828.569    143.576  76.627  6.3731  80.240  7.4598  -3.613365      9.811486 
1 1 1 -10 -40 20 f 77.461  6.1536  758.184    114.705  758.184    114.705  0.0000     0.0000   77.461  6.1536  ?       ?       0.000000       6.153570 
1 1 1 -10 -40 21 o 58.069  6.9687  432.829    96.228   432.829    96.228   0.0000     0.0000   58.069  6.9687  ?       ?       0.000000       6.968717 
1 1 1 -10 -40 22 o 28.213  7.3308  105.053    50.640   101.749    71.300   108.417    71.937   28.077  9.1325  28.804  9.1541  -0.7270699     12.93060 
1 1 1 -10 -40 23 o 52.180  4.4816  338.746    56.191   398.252    88.869   299.111    72.529   55.807  6.6967  48.408  6.3263  7.399273       9.212369 
1 1 1 -10 -40 24 o 88.214  3.9999  957.913    85.616   989.117    129.303  933.552    114.248  88.636  6.0483  86.382  5.4792  2.253731       8.161108 
1 1 1 -10 -40 25 o 18.192  6.5980  35.415     37.555   20.013     67.274   42.388     45.265   20.213  8.3768  19.858  7.2374  0.3549347      11.07027 
1 1 1 -10 -40 26 o 85.423  3.9983  898.228    82.873   949.155    124.827  858.090    110.819  86.868  5.9582  82.773  5.5499  4.094872       8.142591 
1 1 1 -10 -40 27 o 51.645  4.6072  332.326    57.127   398.344    91.544   290.219    73.110   55.722  6.9197  47.611  6.4983  8.111843       9.492632 
1 1 1 -10 -40 28 o 26.926  6.7351  95.085     43.891   92.398     79.198   96.276     52.729   27.472  9.6227  27.055  7.6767  0.4169846      12.30966 
1 1 1 -10 -40 29 o 51.215  4.6966  327.278    57.713   379.639    95.305   296.958    72.523   54.135  7.4533  48.211  6.3544  5.923538       9.794385 
1 1 1 -10 -40 30 o 70.397  4.2050  613.263    71.497   663.216    110.932  577.768    93.510   72.316  6.3877  67.749  5.7424  4.566910       8.589445 
1 1 1 -10 -40 31 o 75.937  5.4686  722.811    100.086  0.0000     0.0000   722.811    100.086  ?       ?       75.937  5.4686  0.000000       5.468557 
1 1 1 -10 -40 32 o 69.635  5.6503  609.913    94.645   0.0000     0.0000   609.913    94.645   ?       ?       69.635  5.6503  0.000000       5.650267 
1 1 1 -10 -40 33 o 85.113  4.1064  893.330    84.806   982.517    128.114  823.769    113.144  88.264  6.0180  80.897  5.8027  7.366730       8.359846 
1 1 1 -10 -40 34 o 33.268  7.0241  145.538    54.921   38.459     94.353   200.409    67.542   24.211  9.9662  39.044  7.4003  -14.83326      12.41330 
1 1 1 -10 -40 35 o 61.609  5.6656  478.905    83.746   492.970    133.194  469.709    107.697  60.616  9.3572  60.140  7.5465  0.4761696      12.02109 
1 1 1 -10 -40 36 o 58.195  5.6836  427.981    79.231   420.239    128.243  432.761    100.762  55.555  9.8756  57.770  7.3553  -2.215046      12.31371 
1 1 1 -10 -40 37 o 65.984  5.5578  548.517    88.155   563.232    140.966  539.067    112.970  64.880  9.2132  64.540  7.3447  0.3405838      11.78258 
1 1 1 -10 -40 38 f 39.414  6.6694  201.862    61.508   228.303    103.805  187.557    76.355   40.370  10.499  37.234  8.6214  3.136066       13.58494 
1 1 1 -10 -40 39 o 31.343  5.0254  125.171    36.927   86.773     65.038   143.439    44.860   26.111  8.7325  33.380  5.7459  -7.269749      10.45328 
1 1 1 -10 -40 40 o 35.904  4.6277  162.446    39.377   231.171    70.657   131.484    47.425   41.999  7.1921  31.721  6.3828  10.27856       9.615928 
1 1 1 -10 -40 41 o 27.044  5.6821  95.053     36.100   48.981     65.579   115.084    43.241   22.319  8.5896  29.671  6.2058  -7.351759      10.59684 
1 1 1 -10 -40 42 o 25.902  5.9573  87.810     36.661   124.807    67.507   72.335     43.660   30.347  8.7112  23.563  7.0717  6.783987       11.22025 
1 1 1 -10 -40 43 o 37.895  4.6886  181.162    42.191   156.681    75.677   192.204    50.823   33.753  9.0534  38.760  5.5635  -5.007118      10.62622 
1 1 1 -10 -40 44 o 37.487  6.3055  182.776    55.318   275.540    105.507  147.608    64.964   44.323  10.043  32.971  8.1636  11.35228       12.94239 
1 1 1 -10 -40 45 o 17.903  6.9752  28.225     43.657   188.062    83.224   -32.4552   51.278   36.747  9.3200  14.169  6.5124  22.57745       11.36987 
1 1 1 -10 -40 46 o 39.053  6.1820  198.256    56.630   309.626    105.920  153.678    67.012   47.130  9.5886  33.498  8.2895  13.63140       12.67506 
1 1 1 -10 -40 47 o 68.428  3.9453  582.041    65.227   624.795    111.667  559.899    80.362   69.376  6.7178  66.624  5.0078  2.751511       8.378926 
1 1 1 -10 -40 48 o 46.448  4.4754  271.586    49.814   187.482    90.800   307.798    59.581   36.110  10.014  49.233  5.0595  -13.12366      11.21924 
1 1 1 -10 -40 49 o 29.381  5.9041  113.702    40.630   83.452     79.272   124.480    47.317   25.935  9.5585  30.524  6.5823  -4.589169      11.60564 
1 1 1 -10 -40 50 o 24.410  6.4954  79.908     39.147   83.473     78.652   78.735     45.134   25.815  9.5200  24.204  7.1733  1.610058       11.92000 
1 1 1 -10 -40 51 o 50.342  4.6969  321.385    56.711   225.961    99.520   367.271    69.012   39.029  10.343  53.489  5.3909  -14.45943      11.66335 
1 1 1 -10 -40 52 o 10.633  5.0542  -40.8599   35.508   -35.2745   71.096   -42.7162   40.985   16.713  7.6765  11.617  5.4949  5.095618       9.440504 
1 1 1 -10 -40 53 o 11.738  5.5514  -42.9850   41.798   -63.6325   88.211   -37.0070   47.465   17.485  8.2056  13.084  6.1005  4.401457       10.22483 
1 1 1 -10 -40 54 o 57.716  4.8252  425.084    66.953   224.742    127.849  500.790    78.592   37.100  12.237  62.407  5.2387  -25.30647      13.31117 
1 1 1 -10 -40 55 o 14.822  6.4992  -3.4040    44.779   62.503     100.002  -19.9331   50.080   24.874  10.252  14.489  6.5737  10.38541       12.17877 
1 1 1 -10 -40 56 o 24.995  8.7770  84.858     65.909   -75.2862   130.703  139.466    76.323   20.988  9.8924  30.724  9.3791  -9.736044      13.63185 
1 1 1 -10 -40 57 f 41.299  8.4282  243.139    81.599   323.266    151.528  210.413    96.840   43.068  13.227  36.952  10.375  6.116146       16.81057 
1 1 1 -10 -40 58 o 19.404  7.3825  41.342     48.093   -0.0137    106.716  51.881     53.875   21.874  9.7873  20.977  7.8506  0.8968830      12.54682 
1 1 1 -10 -40 59 o 47.786  5.4903  297.253    62.503   358.067    124.133  276.598    72.343   48.170  10.878  45.293  6.7921  2.877274       12.82421 
1 1 1 -10 -40 60 o 20.793  7.7140  51.385     51.795   100.815    104.398  35.245     59.654   27.604  10.778  19.873  8.0194  7.731432       13.43387 
1 1 1 -10 -40 61 o 24.842  9.3496  79.583     76.623   150.676    195.983  66.755     83.249   32.399  13.902  24.122  9.5607  8.276787       16.87228 
1 1 1 -10 -40 62 o 26.216  9.5294  95.372     78.402   131.009    203.801  89.182     84.939   31.516  13.841  25.877  9.8193  5.639116       16.97051 
1 1 1 -10 -40 63 o 15.699  7.3483  -48.0115   69.966   -62.1831   194.325  -45.9008   74.996   25.019  11.872  16.419  7.6596  8.600161       14.12883 
1 1 1 -10 -39 1  o 72.437  6.1835  673.748    107.641  660.198    138.822  694.177    170.458  70.192  8.3124  70.319  10.295  -0.1269760     13.23211 
1 1 1 -10 -39 2  o 34.183  8.5826  160.747    71.082   181.186    89.703   126.254    116.531  35.786  9.9634  31.200  11.572  4.586220       15.26989 
1 1 1 -10 -39 3  o 34.083  8.5596  159.118    70.689   122.481    88.888   222.157    116.598  30.205  10.208  39.059  11.517  -8.854414      15.39025 
1 1 1 -10 -39 4  o 27.619  8.7312  101.333    65.511   82.913     76.860   150.262    125.264  26.165  9.4468  33.433  12.062  -7.267714      15.32073 
1 1 1 -10 -39 5  o 23.019  8.5862  57.778     64.340   93.248     74.200   -49.7122   129.169  27.079  9.3238  22.868  10.445  4.210720       14.00131 
1 1 1 -10 -39 6  o 49.424  7.2930  319.062    84.832   318.524    101.368  320.321    154.972  48.565  8.9314  46.266  13.172  2.299118       15.91444 
1 1 1 -10 -39 7  o 97.608  6.0227  1204.69    141.943  1157.97    180.166  1281.12    230.472  94.295  7.9486  97.451  9.8837  -3.155663      12.68339 
1 1 1 -10 -39 8  o 40.267  8.2445  217.015    77.841   161.196    91.853   359.254    146.627  34.195  10.256  49.801  12.225  -15.60622      15.95703 
1 1 1 -10 -39 9  o 50.462  7.2215  330.837    85.899   269.196    102.719  474.198    156.650  44.242  9.8246  57.975  11.542  -13.73381      15.15691 
1 1 1 -10 -39 10 o 22.550  8.3136  55.543     59.975   72.561     66.773   -15.4992   136.428  24.762  8.8202  25.073  11.153  -0.3105259     14.21920 
1 1 1 -10 -39 11 o 15.294  6.9340  -26.9771   55.593   -2.8562    60.202   -166.6518  144.869  17.571  7.6227  20.834  9.9865  -3.263109      12.56326 
1 1 1 -10 -39 12 o 42.978  7.7110  242.910    77.457   279.629    87.604   111.379    165.804  45.993  8.1483  33.160  13.374  12.83247       15.66046 
1 1 1 -10 -39 13 o 14.028  6.6512  -67.8683   60.743   -101.0055  66.522   98.371     148.996  13.620  6.5878  31.671  12.711  -18.05045      14.31692 
1 1 1 -10 -39 14 o 80.115  6.1430  810.006    118.505  696.276    145.132  1037.52    205.273  73.068  8.3351  88.291  9.7442  -15.22311      12.82280 
1 1 1 -10 -39 15 o 28.479  9.1677  105.096    71.974   102.578    81.890   113.648    150.893  28.579  9.7975  32.745  12.905  -4.166439      16.20316 
1 1 1 -10 -39 16 o 30.336  6.9510  120.702    50.068   108.509    70.144   133.366    71.487   28.820  9.0240  31.580  8.9306  -2.760250      12.69604 
1 1 1 -10 -39 17 o 34.271  6.3920  151.794    51.198   167.514    73.209   136.746    71.627   35.380  8.6096  31.979  8.9030  3.401564       12.38499 
1 1 1 -10 -39 18 o 47.326  5.7070  282.878    64.212   245.788    84.862   332.558    98.215   43.102  8.4163  50.346  8.3311  -7.244110      11.84236 
1 1 1 -10 -39 19 o 37.445  8.8149  187.630    78.761   187.630    78.761   0.0000     0.0000   37.445  8.8149  ?       ?       0.000000       8.814888 
1 1 1 -10 -39 20 o 37.326  8.6562  185.828    76.876   185.828    76.876   0.0000     0.0000   37.326  8.6562  ?       ?       0.000000       8.656239 
1 1 1 -10 -39 21 o 89.296  4.1368  980.764    89.631   942.944    129.190  1015.86    124.456  86.631  6.1867  90.155  5.7190  -3.524361      8.425090 
1 1 1 -10 -39 22 o 80.750  3.9634  801.026    77.656   803.797    116.927  798.838    103.872  80.016  6.0676  80.055  5.3787  -0.3881836E-01 8.108370 
1 1 1 -10 -39 23 o 34.322  5.6015  149.968    45.040   175.862    74.796   135.237    56.416   36.339  8.6141  32.097  7.3959  4.242783       11.35351 
1 1 1 -10 -39 24 o 16.748  6.4144  24.823     36.458   111.554    66.611   -12.2712   43.563   29.188  8.7291  14.315  6.3380  14.87265       10.78743 
1 1 1 -10 -39 25 o 20.359  6.6949  50.312     38.278   77.379     69.088   38.324     45.981   25.596  8.9863  19.518  7.2628  6.078123       11.55433 
1 1 1 -10 -39 26 o 40.392  5.1078  205.012    48.941   228.617    82.764   192.321    60.689   41.576  8.4912  38.629  6.7189  2.947514       10.82800 
1 1 1 -10 -39 27 o 79.320  4.0812  775.405    78.282   824.855    119.576  738.316    103.558  81.041  6.1262  76.870  5.5904  4.171120       8.293600 
1 1 1 -10 -39 28 o 81.285  4.0206  812.025    79.298   859.198    120.576  776.072    105.265  82.745  6.0475  78.834  5.5383  3.910995       8.200277 
1 1 1 -10 -39 29 o 34.473  5.9863  152.269    48.257   195.757    83.539   130.490    59.118   38.186  9.1383  31.433  7.7906  6.753145       12.00838 
1 1 1 -10 -39 30 o 39.391  6.7683  200.224    62.359   0.0000     0.0000   200.224    62.359   ?       ?       39.391  6.7683  0.000000       6.768278 
1 1 1 -10 -39 31 o 41.005  6.5746  216.038    63.203   0.0000     0.0000   216.038    63.203   ?       ?       41.005  6.5746  0.000000       6.574604 
1 1 1 -10 -39 32 o 33.202  5.9752  141.643    46.367   105.072    81.655   159.047    56.330   28.872  9.7840  34.957  6.8862  -6.084452      11.96438 
1 1 1 -10 -39 33 o 18.282  6.1251  39.771     31.999   25.854     85.612   42.031     34.499   22.672  9.4273  18.835  6.3597  3.836946       11.37185 
1 1 1 -10 -39 34 f 26.064  5.3180  87.377     32.493   103.129    57.695   80.060     39.322   27.985  8.0591  24.777  6.4703  3.207680       10.33511 
1 1 1 -10 -39 35 o 69.859  3.5813  600.498    60.501   564.085    96.335   624.213    77.746   66.859  6.0022  70.931  4.5411  -4.071861      7.526530 
1 1 1 -10 -39 36 o 26.751  7.4805  94.099     50.450   50.170     87.891   115.685    61.611   24.532  9.7919  29.497  8.2731  -4.964315      12.81895 
1 1 1 -10 -39 37 o 31.158  7.3593  128.402    54.750   48.655     98.027   164.558    66.004   25.255  10.249  35.168  7.9249  -9.913027      12.95539 
1 1 1 -10 -39 38 o 16.996  6.8470  18.842     43.409   5.7508     79.497   24.404     51.815   20.607  8.8485  18.667  7.4946  1.939768       11.59586 
1 1 1 -10 -39 39 f 20.827  7.4308  49.180     47.411   -1.1638    89.029   69.109     56.015   21.246  9.2435  23.766  8.1034  -2.519745      12.29253 
1 1 1 -10 -39 40 o 46.529  3.9535  268.573    44.211   319.069    74.997   241.678    54.733   49.945  6.3306  43.744  5.2622  6.200993       8.232095 
1 1 1 -10 -39 41 o 34.641  4.8726  151.774    39.823   150.790    70.846   152.229    48.150   33.387  8.6686  34.354  5.9944  -0.9669914     10.53934 
1 1 1 -10 -39 42 o 89.970  3.7898  996.687    82.733   903.643    132.474  1056.18    105.930  84.238  6.5324  92.114  4.7557  -7.876625      8.080122 
1 1 1 -10 -39 43 o 43.672  4.4476  238.533    46.471   112.667    83.371   295.267    55.974   29.374  9.8866  48.516  4.8186  -19.14164      10.99835 
1 1 1 -10 -39 44 o 19.174  6.3231  45.038     34.137   -0.0173    65.775   61.647     39.936   18.459  7.9877  21.942  6.7991  -3.482899      10.48961 
1 1 1 -10 -39 45 o 35.844  6.4220  167.427    53.801   97.167     100.329  195.785    63.741   28.630  10.714  38.574  7.0707  -9.944031      12.83645 
1 1 1 -10 -39 46 o 43.653  6.0674  245.222    62.529   155.986    112.222  285.400    75.301   33.592  11.470  46.815  6.8301  -13.22352      13.34927 
1 1 1 -10 -39 47 o 31.404  7.0178  131.386    52.129   135.390    101.279  129.943    60.800   31.581  10.892  30.937  8.0296  0.6441307      13.53180 
1 1 1 -10 -39 48 o 59.570  4.0889  441.893    58.743   528.201    103.587  400.982    71.319   63.779  6.7984  56.245  5.2879  7.534286       8.612807 
1 1 1 -10 -39 49 o 33.536  5.4500  145.223    42.824   208.040    82.114   121.756    50.190   38.669  8.9318  30.124  7.0000  8.545029       11.34800 
1 1 1 -10 -39 50 o 44.246  4.7657  247.948    50.357   386.661    88.674   181.921    61.179   54.253  6.8916  36.876  7.0950  17.37706       9.891028 
1 1 1 -10 -39 51 o 75.179  4.4764  709.249    81.285   718.996    174.253  706.538    91.896   70.834  10.453  74.666  5.1029  -3.832115      11.63171 
1 1 1 -10 -39 52 o 23.884  7.0410  76.608     43.580   8.4597     80.623   104.740    51.800   20.348  8.8244  27.642  7.5223  -7.293518      11.59552 
1 1 1 -10 -39 53 o 20.854  7.0800  55.080     42.758   34.431     80.786   63.116     50.395   21.971  9.1486  22.256  7.6828  -0.2849045     11.94663 
1 1 1 -10 -39 54 o 47.171  5.3180  286.781    59.805   474.805    116.357  219.276    69.719   58.523  8.4379  40.069  7.4451  18.45425       11.25293 
1 1 1 -10 -39 55 o 20.896  7.3986  54.242     46.917   123.993    88.931   27.342     55.227   29.352  10.202  18.831  7.6733  10.52121       12.76532 
1 1 1 -10 -39 56 o 34.865  6.5774  163.917    53.602   51.060     102.184  206.761    62.960   24.396  10.234  39.080  6.8914  -14.68486      12.33763 
1 1 1 -10 -39 57 o 47.968  7.4996  314.994    84.429   158.794    141.026  402.253    105.405  32.315  12.551  53.593  8.3801  -21.27869      15.09184 
1 1 1 -10 -39 58 o 24.514  8.6907  79.834     64.753   -20.7138   112.245  129.987    79.274   21.516  9.7925  29.796  9.6245  -8.279617      13.73044 
1 1 1 -10 -39 59 o 20.160  7.4066  48.024     47.543   -57.0764   93.880   84.277     55.136   18.298  8.5477  24.777  8.0290  -6.478292      11.72728 
1 1 1 -10 -39 60 o 14.399  6.3202  -4.2688    42.439   57.694     86.634   -23.8324   48.679   23.816  9.6453  14.042  6.4133  9.773488       11.58282 
1 1 1 -10 -39 61 o 17.517  7.6294  2.7706     60.792   30.808     95.315   -16.4558   78.931   22.674  9.7112  18.501  8.3362  4.172844       12.79840 
1 1 1 -10 -39 62 o 23.289  9.2233  59.826     77.419   -188.2608  200.513  103.289    83.927   23.095  11.234  27.222  9.8649  -4.127367      14.95024 
1 1 1 -10 -39 63 o 29.012  10.039  124.583    86.081   -231.3839  226.625  184.600    93.055   23.593  11.575  34.524  10.316  -10.93110      15.50426 
1 1 1 -10 -39 64 o 32.745  10.132  167.062    88.727   148.097    214.786  170.964    97.429   31.885  14.097  32.795  10.676  -0.9107494     17.68369 
1 1 1 -10 -38 1  o 36.276  6.1189  170.596    51.942   125.940    79.150   204.374    68.839   30.451  9.5941  39.218  7.5076  -8.766712      12.18238 
1 1 1 -10 -38 2  o 30.600  7.0809  124.336    51.532   74.105     80.207   159.649    67.249   25.636  9.5819  34.377  8.1807  -8.740629      12.59904 
1 1 1 -10 -38 3  o 44.619  5.3677  252.247    56.947   239.937    86.848   261.531    75.424   42.102  8.7856  44.728  7.1936  -2.626320      11.35489 
1 1 1 -10 -38 4  o 32.883  6.4990  141.193    50.015   218.801    72.668   71.337     68.943   40.686  7.6416  24.741  8.9449  15.94452       11.76453 
1 1 1 -10 -38 5  o 69.615  4.5068  602.412    75.718   679.798    109.116  530.540    105.157  73.208  6.2010  64.307  6.8446  8.901634       9.235868 
1 1 1 -10 -38 6  o 47.363  5.4793  283.609    61.806   296.528    95.790   274.395    80.898   47.101  8.7021  45.781  7.5456  1.320301       11.51797 
1 1 1 -10 -38 7  f 67.251  5.5891  568.853    90.376   572.684    105.935  558.608    173.229  67.018  6.6002  63.084  11.750  3.934658       13.47641 
1 1 1 -10 -38 8  o 45.333  7.5453  268.616    80.079   236.752    95.434   344.432    147.208  41.644  9.6358  48.945  12.385  -7.300373      15.69213 
1 1 1 -10 -38 9  o 31.036  8.8020  128.959    69.340   102.323    80.796   203.417    135.086  28.478  9.7320  38.199  12.578  -9.721022      15.90306 
1 1 1 -10 -38 10 o 80.836  6.0598  823.150    117.993  855.916    145.933  761.287    200.521  81.687  7.4444  74.349  11.485  7.337944       13.68703 
1 1 1 -10 -38 11 o 41.420  8.2152  226.982    79.648   224.714    91.320   234.191    162.824  40.754  9.4230  40.780  13.816  -0.2631378E-01 16.72355 
1 1 1 -10 -38 12 o 82.825  6.1370  863.143    122.455  812.746    150.201  963.039    211.469  79.438  7.8973  84.739  10.511  -5.301071      13.14682 
1 1 1 -10 -38 13 f 28.117  8.8771  102.118    67.735   140.861    75.763   -52.1874   151.200  32.467  9.1982  25.200  11.429  7.266605       14.67082 
1 1 1 -10 -38 14 o 52.605  7.1560  355.015    88.970   371.637    103.651  308.486    173.419  53.381  8.2699  46.196  14.144  7.184780       16.38434 
1 1 1 -10 -38 15 o 64.611  6.3939  527.134    98.924   568.428    116.838  422.586    185.909  66.715  7.3391  54.017  14.051  12.69799       15.85223 
1 1 1 -10 -38 16 o 26.222  8.6761  85.484     64.249   68.890     75.927   127.331    120.574  25.286  9.3479  32.557  11.820  -7.271145      15.06981 
1 1 1 -10 -38 17 o 92.887  7.5310  1096.74    168.273  1096.74    168.273  0.0000     0.0000   92.887  7.5310  ?       ?       0.000000       7.530975 
1 1 1 -10 -38 18 f 73.501  7.6339  689.271    134.160  689.271    134.160  0.0000     0.0000   73.501  7.6339  ?       ?       0.000000       7.633940 
1 1 1 -10 -38 19 o 61.431  6.4676  476.064    94.955   476.064    94.955   0.0000     0.0000   61.431  6.4676  ?       ?       0.000000       6.467575 
1 1 1 -10 -38 20 o 78.191  4.1843  752.829    79.098   661.751    112.755  841.079    110.990  72.543  6.4739  82.193  5.5986  -9.650856      8.558937 
1 1 1 -10 -38 21 o 40.368  4.9694  203.902    47.646   221.448    77.308   193.156    60.503   41.193  8.0231  38.815  6.6642  2.378395       10.42981 
1 1 1 -10 -38 22 o 104.961 3.9628  1350.84    100.925  1416.62    148.967  1295.03    137.215  106.710 5.7748  102.108 5.5592  4.602196       8.015844 
1 1 1 -10 -38 23 o 50.863  4.4226  320.305    54.039   333.295    85.540   311.678    69.710   51.119  7.0870  49.786  5.8845  1.333698       9.211556 
1 1 1 -10 -38 24 o 37.315  5.1687  175.035    45.541   209.002    76.554   156.429    56.657   39.961  8.1709  34.775  6.9575  5.186020       10.73170 
1 1 1 -10 -38 25 o 53.853  4.4117  358.746    57.141   451.027    90.068   296.585    73.922   59.875  6.2938  48.377  6.4588  11.49765       9.018184 
1 1 1 -10 -38 26 o 105.147 3.9737  1355.68    101.381  1436.23    149.587  1287.24    137.877  107.459 5.7579  101.783 5.6044  5.675880       8.035100 
1 1 1 -10 -38 27 o 47.038  4.7453  275.188    53.420   237.919    88.144   296.823    67.159   42.464  8.8422  48.584  5.8124  -6.120293      10.58155 
1 1 1 -10 -38 28 f 74.789  4.0751  688.356    73.671   761.393    112.271  633.128    97.629   78.051  5.9736  71.232  5.6962  6.818466       8.254128 
1 1 1 -10 -38 29 o 60.580  5.5902  458.602    81.245   0.0000     0.0000   458.602    81.245   ?       ?       60.580  5.5902  0.000000       5.590239 
1 1 1 -10 -38 30 o 75.249  5.4110  704.749    98.138   0.0000     0.0000   704.749    98.138   ?       ?       75.249  5.4110  0.000000       5.411011 
1 1 1 -10 -38 31 o 87.928  4.0272  949.107    85.920   1055.33    130.166  867.090    114.378  91.943  5.8652  83.379  5.6875  8.564407       8.169991 
1 1 1 -10 -38 32 o 31.836  4.6453  127.439    34.827   104.702    60.768   138.560    42.500   28.336  8.3031  33.010  5.4996  -4.673916      9.959263 
1 1 1 -10 -38 33 o 65.794  3.5691  531.834    56.765   490.486    90.889   558.277    72.683   62.433  6.0768  67.175  4.4850  -4.741673      7.552656 
1 1 1 -10 -38 34 o 45.897  3.8994  260.428    43.014   212.842    72.476   286.305    53.445   40.364  7.6808  47.957  4.6515  -7.592915      8.979427 
1 1 1 -10 -38 35 o 21.930  5.7013  62.086     30.619   36.882     54.801   73.524     36.919   20.313  7.8424  23.811  6.2945  -3.497898      10.05605 
1 1 1 -10 -38 36 o 76.893  3.5577  724.915    66.377   740.753    105.226  714.447    85.545   76.915  5.6784  75.915  4.6667  1.000519       7.350019 
1 1 1 -10 -38 37 o 46.927  6.0373  279.594    67.149   321.552    110.491  255.022    84.556   48.864  9.6615  43.981  8.2260  4.882938       12.68903 
1 1 1 -10 -38 38 o 68.978  5.5294  596.296    91.767   582.498    147.352  605.038    117.289  66.231  9.4359  68.771  7.1326  -2.539955      11.82838 
1 1 1 -10 -38 39 o 30.485  7.3581  122.705    53.807   17.027     93.119   175.675    65.926   22.829  9.6827  36.476  7.6911  -13.64651      12.36559 
1 1 1 -10 -38 40 o 45.102  6.2299  259.894    66.358   233.863    110.042  274.769    83.184   40.963  10.886  45.798  7.7629  -4.834850      13.37008 
1 1 1 -10 -38 41 o 63.038  3.6972  489.943    56.303   495.173    93.391   486.957    70.571   62.470  6.2450  62.545  4.6842  -0.7518387E-01 7.806466 
1 1 1 -10 -38 42 o 50.244  4.0649  313.069    49.133   456.991    85.589   242.333    60.004   60.097  5.9476  43.645  5.8104  16.45192       8.314775 
1 1 1 -10 -38 43 o 66.461  3.8322  545.349    61.537   642.858    103.133  491.444    76.682   71.307  6.0170  62.662  5.0874  8.645279       7.879405 
1 1 1 -10 -38 44 o 37.172  4.9312  174.507    43.379   162.348    77.315   180.093    52.404   34.533  9.0995  37.447  5.9678  -2.914085      10.88186 
1 1 1 -10 -38 45 o 26.349  6.3509  91.097     40.127   97.940     92.153   89.495     44.574   28.435  10.332  26.050  6.9307  2.384796       12.44131 
1 1 1 -10 -38 46 f 32.912  7.0698  143.209    54.773   151.608    102.110  139.815    64.901   33.289  10.934  32.177  8.2682  1.111870       13.70814 
1 1 1 -10 -38 47 o 47.280  5.7526  285.001    64.634   240.745    119.645  303.239    76.805   40.819  11.557  48.379  6.7247  -7.560230      13.37119 
1 1 1 -10 -38 48 o 23.250  7.3581  69.712     46.516   -165.4196  96.212   141.438    53.139   15.558  7.6136  32.676  6.9178  -17.11814      10.28702 
1 1 1 -10 -38 49 o 23.188  6.7636  70.641     40.405   3.4480     72.759   100.601    48.584   19.446  8.4081  27.409  7.2089  -7.962965      11.07540 
1 1 1 -10 -38 50 o 28.006  6.3916  103.974    42.475   94.782     75.474   108.235    51.385   27.044  9.3982  28.326  7.3963  -1.281937      11.95959 
1 1 1 -10 -38 51 o 112.771 4.1004  1579.78    112.199  1546.57    179.869  1600.94    143.550  109.175 6.8242  112.685 5.2502  -3.509979      8.610149 
1 1 1 -10 -38 52 o 28.853  6.4995  111.160    44.410   228.180    77.057   52.962     54.342   40.867  8.0574  21.491  7.9150  19.37620       11.29462 
1 1 1 -10 -38 53 o 18.695  6.8200  39.361     40.209   -22.2518   72.244   67.012     48.398   17.644  7.9605  22.731  7.5305  -5.086269      10.95803 
1 1 1 -10 -38 54 o 40.435  5.7990  213.012    55.267   177.242    100.412  228.557    66.196   34.461  10.798  41.391  6.8293  -6.930111      12.77638 
1 1 1 -10 -38 55 o 19.623  7.3068  43.079     46.555   26.646     89.123   49.245     54.596   22.142  9.4344  20.948  7.8905  1.194324       12.29912 
1 1 1 -10 -38 56 o 17.300  6.9698  23.292     44.983   77.273     87.360   3.8159     52.474   25.458  9.8813  16.579  7.1545  8.878721       12.19947 
1 1 1 -10 -38 57 o 57.146  6.8893  435.968    93.600   297.645    154.572  516.055    117.616  41.724  13.435  61.196  8.1217  -19.47149      15.69937 
1 1 1 -10 -38 58 o 40.285  8.1386  227.156    76.814   342.677    131.242  166.963    94.736   46.709  11.626  33.242  10.499  13.46700       15.66477 
1 1 1 -10 -38 59 o 37.333  6.4878  186.529    56.637   234.700    118.774  172.353    64.434   38.430  11.693  35.187  7.7558  3.243332       14.03156 
1 1 1 -10 -38 60 o 18.000  7.1708  27.984     47.053   -0.5530    94.166   37.480     54.320   20.965  9.2987  19.687  7.7482  1.277840       12.10374 
1 1 1 -10 -38 61 o 26.430  7.7022  96.907     52.418   138.908    104.511  82.790     60.590   30.778  11.027  24.794  8.4279  5.983669       13.87893 
1 1 1 -10 -38 62 o 22.871  9.3442  48.439     82.168   157.356    216.090  30.030     88.841   33.597  14.508  22.164  9.4311  11.43289       17.30435 
1 1 1 -10 -38 63 o 14.355  6.9443  -99.3156   73.975   116.981    210.415  -129.8200  79.020   31.687  13.985  14.063  6.8857  17.62440       15.58780 
1 1 1 -10 -38 64 o 37.799  10.085  218.973    94.213   202.702    240.134  221.933    102.425  34.613  15.117  37.554  10.714  -2.940609      18.52901 
1 1 1 -10 -37 1  o 59.310  4.6993  439.047    67.074   455.544    101.691  426.343    89.239   59.337  7.2113  57.724  6.4836  1.613461       9.697398 
1 1 1 -10 -37 2  o 18.520  7.1432  30.884     45.431   33.851     70.419   28.769     59.460   21.580  8.7113  19.963  8.0237  1.616524       11.84340 
1 1 1 -10 -37 3  o 21.228  7.1801  54.433     43.975   49.148     67.626   58.305     57.884   22.628  8.7187  22.703  8.1979  -0.7533073E-01 11.96749 
1 1 1 -10 -37 4  o 66.484  4.4710  548.710    71.706   590.502    105.376  512.669    97.856   68.171  6.4471  63.484  6.4419  4.686565       9.113903 
1 1 1 -10 -37 5  o 71.593  4.3898  635.154    75.888   580.874    110.029  684.404    104.806  67.462  6.8152  73.714  5.9094  -6.251160      9.020387 
1 1 1 -10 -37 6  o 66.434  4.5116  547.631    72.294   588.096    105.197  511.417    99.518   68.091  6.4439  63.407  6.5634  4.683353       9.197972 
1 1 1 -10 -37 7  o 97.691  4.1671  1175.44    98.776   1205.49    143.738  1148.55    135.967  97.939  6.0786  95.694  5.8843  2.244843       8.460128 
1 1 1 -10 -37 8  o 38.175  5.7902  185.541    51.951   142.980    76.238   222.436    70.982   32.668  9.2171  41.346  7.3445  -8.677731      11.78540 
1 1 1 -10 -37 9  o 53.546  4.6998  356.685    60.444   369.485    88.245   345.372    82.962   53.752  6.9271  52.018  6.7309  1.734741       9.658656 
1 1 1 -10 -37 10 o 56.643  4.7682  398.860    64.924   360.297    92.678   436.020    90.977   52.913  7.4227  58.658  6.5014  -5.744411      9.867395 
1 1 1 -10 -37 11 o 82.314  4.2546  835.436    84.686   803.533    119.501  867.622    120.030  80.003  6.2045  83.246  5.9823  -3.242706      8.618835 
1 1 1 -10 -37 12 o 70.080  5.4455  612.147    91.870   639.317    187.544  603.569    105.380  68.561  11.693  69.259  6.3411  -0.6981049     13.30180 
1 1 1 -10 -37 13 o 86.915  5.8980  942.913    123.649  927.947    153.714  970.351    208.135  85.498  7.4850  85.884  10.186  -0.3854370     12.64067 
1 1 1 -10 -37 14 o 25.381  8.6807  77.072     64.283   89.514     71.116   21.496     150.302  27.063  9.1310  28.464  12.193  -1.401524      15.23305 
1 1 1 -10 -37 15 o 90.863  5.9151  1028.68    129.700  1106.28    163.342  896.251    213.368  93.638  7.2456  82.212  10.970  11.42560       13.14675 
1 1 1 -10 -37 16 o 63.840  7.9579  521.241    120.593  521.241    120.593  0.0000     0.0000   63.840  7.9579  ?       ?       0.000000       7.957893 
1 1 1 -10 -37 17 o 98.853  7.6170  1234.58    181.292  1234.58    181.292  0.0000     0.0000   98.853  7.6170  ?       ?       0.000000       7.616994 
1 1 1 -10 -37 18 o 15.259  7.0557  -47.2425   61.494   -47.2425   61.494   0.0000     0.0000   15.259  7.0557  ?       ?       0.000000       7.055665 
1 1 1 -10 -37 19 o 32.929  8.5938  142.270    69.394   138.708    83.089   150.485    126.176  32.616  9.7480  34.891  12.150  -2.274078      15.57723 
1 1 1 -10 -37 20 o 28.290  8.2084  103.211    59.651   28.670     83.669   180.261    85.066   22.961  9.4105  36.910  9.4559  -13.94937      13.34061 
1 1 1 -10 -37 21 o 43.682  6.9149  243.130    70.851   300.726    96.347   175.309    104.551  48.151  8.5601  36.447  10.944  11.70472       13.89436 
1 1 1 -10 -37 22 o 15.601  6.1392  17.765     34.096   -18.3059   61.932   33.453     40.843   17.008  7.5424  18.459  6.8497  -1.450754      10.18854 
1 1 1 -10 -37 23 o 12.807  5.4055  2.2205     28.797   -55.4437   60.513   19.102     32.742   14.702  6.8660  15.552  6.0458  -0.8502827     9.148404 
1 1 1 -10 -37 24 o 11.355  5.2202  -24.0931   32.979   -28.4097   61.528   -22.3530   39.064   16.326  7.3579  12.768  5.7978  3.558695       9.367664 
1 1 1 -10 -37 25 o 14.501  5.9197  10.085     32.944   -19.7777   65.214   20.316     38.172   17.406  7.7283  16.535  6.4993  0.8706303      10.09791 
1 1 1 -10 -37 26 o 50.894  4.4660  320.177    54.593   325.477    89.857   317.077    68.734   50.474  7.5705  50.347  5.7284  0.1272049      9.493529 
1 1 1 -10 -37 27 o 30.587  6.0332  119.724    43.186   144.420    76.602   108.218    52.287   33.173  9.1970  28.870  7.4229  4.302778       11.81880 
1 1 1 -10 -37 28 o 26.084  7.5695  87.239     50.722   0.0000     0.0000   87.239     50.722   ?       ?       26.084  7.5695  0.000000       7.569453 
1 1 1 -10 -37 29 o 12.792  5.7262  -15.2400   36.575   0.0000     0.0000   -15.2400   36.575   ?       ?       12.792  5.7262  0.000000       5.726230 
1 1 1 -10 -37 30 o 92.412  3.9906  1046.22    89.480   1166.31    133.435  948.095    120.622  96.926  5.6988  87.349  5.7228  9.577156       8.076292 
1 1 1 -10 -37 31 o 60.991  3.5464  456.395    52.256   451.508    83.109   459.590    67.203   60.118  5.7683  60.982  4.5751  -0.8640633     7.362397 
1 1 1 -10 -37 32 f 87.388  3.5236  933.979    74.714   952.672    115.671  920.598    97.868   87.605  5.4690  86.372  4.6874  1.232445       7.202890 
1 1 1 -10 -37 33 o 16.549  5.7410  30.772     28.158   5.0878     50.631   42.273     33.880   16.925  7.1570  18.890  6.3027  -1.964575      9.536603 
1 1 1 -10 -37 34 o 82.312  3.5572  829.215    71.045   765.666    111.527  872.615    92.166   78.289  5.9147  84.093  4.5337  -5.804375      7.452384 
1 1 1 -10 -37 35 o 58.886  3.6100  426.189    51.332   435.829    83.209   420.267    65.222   58.930  5.8985  58.226  4.6554  0.7041359      7.514312 
1 1 1 -10 -37 36 o 74.418  3.6070  678.414    65.131   711.032    104.190  657.492    83.445   75.432  5.7355  72.860  4.7460  2.572762       7.444478 
1 1 1 -10 -37 37 o 48.636  3.9404  292.262    46.102   336.244    77.777   268.439    57.242   51.493  6.3601  46.289  5.1856  5.204510       8.206221 
1 1 1 -10 -37 38 o 44.073  6.2147  247.226    64.615   142.265    106.441  308.476    81.311   33.123  11.171  49.023  7.0375  -15.90044      13.20289 
1 1 1 -10 -37 39 o 38.523  6.4693  190.780    58.326   147.337    101.008  212.512    71.439   33.376  10.871  40.327  7.5791  -6.951191      13.25183 
1 1 1 -10 -37 40 o 85.198  5.4744  906.585    112.572  864.201    175.507  936.210    146.730  81.204  9.0620  85.754  7.1161  -4.549416      11.52209 
1 1 1 -10 -37 41 o 55.116  5.8166  383.267    76.613   450.818    124.922  342.544    96.995   58.320  9.1272  51.176  8.0794  7.144421       12.18945 
1 1 1 -10 -37 42 o 65.446  3.7172  527.704    58.784   536.500    97.131   522.620    73.843   65.111  6.2239  64.824  4.7273  0.2866821      7.815619 
1 1 1 -10 -37 43 o 63.986  3.8590  505.228    59.632   538.691    100.356  486.964    74.140   65.131  6.4344  62.482  4.9304  2.649235       8.106154 
1 1 1 -10 -37 44 f 19.452  6.4261  45.965     35.251   55.686     67.345   42.296     41.372   23.227  8.7603  19.462  6.9416  3.765965       11.17718 
1 1 1 -10 -37 45 o 29.756  6.6401  116.037    46.726   181.973    74.846   73.927     59.813   36.788  8.5479  24.536  8.3736  12.25163       11.96590 
1 1 1 -10 -37 46 o 39.765  4.7235  198.671    44.684   246.801    79.413   176.372    54.053   43.227  7.8608  36.962  6.2498  6.265179       10.04249 
1 1 1 -10 -37 47 o 13.710  6.0514  -9.3939    39.412   5.2145     85.682   -13.3140   44.386   21.200  9.1454  14.307  6.3629  6.893579       11.14115 
1 1 1 -10 -37 48 o 19.687  7.6610  34.656     52.615   36.483     92.605   33.786     63.938   23.801  9.8430  20.824  8.3378  2.976767       12.89979 
1 1 1 -10 -37 49 o 69.079  4.0389  591.735    67.402   512.103    110.030  639.567    85.275   62.681  7.3757  71.445  4.9496  -8.764366      8.882584 
1 1 1 -10 -37 50 o 40.232  4.9785  205.105    47.561   173.554    80.316   222.144    59.023   35.356  9.2543  41.498  6.0390  -6.141968      11.05038 
1 1 1 -10 -37 51 o 71.257  4.1260  631.673    71.033   553.010    117.358  677.153    89.235   64.764  7.6135  73.343  5.0451  -8.578545      9.133308 
1 1 1 -10 -37 52 o 27.906  6.4752  103.588    42.998   143.753    76.102   84.754     52.113   32.055  9.2631  25.224  7.7586  6.831017       12.08309 
1 1 1 -10 -37 53 o 40.861  4.9900  212.712    48.446   230.019    84.796   204.326    59.028   40.637  8.8504  39.460  6.3830  1.177471       10.91206 
1 1 1 -10 -37 54 o 35.290  5.4118  161.072    44.861   230.357    81.570   131.029    53.714   40.740  8.5254  31.057  7.2584  9.683498       11.19677 
1 1 1 -10 -37 55 o 17.472  6.9922  24.262     44.943   -17.9810   84.251   41.064     53.134   19.247  8.6480  20.060  7.7285  -0.8134289     11.59823 
1 1 1 -10 -37 56 o 23.466  7.3175  73.757     46.176   115.222    84.170   55.904     55.228   28.728  9.9282  21.721  7.9824  7.007305       12.73920 
1 1 1 -10 -37 57 o 35.218  6.6606  166.536    54.832   168.214    99.360   165.800    65.750   33.471  10.771  34.460  8.0148  -0.9896393     13.42598 
1 1 1 -10 -37 58 o 14.001  6.5024  -37.4738   53.078   -58.6106   94.489   -27.7291   64.158   18.421  8.5950  16.170  7.3763  2.250950       11.32624 
1 1 1 -10 -37 59 f 54.738  6.9872  400.249    90.685   478.930    152.063  356.821    112.972  55.827  11.604  49.608  9.7332  6.219814       15.14583 
1 1 1 -10 -37 60 o 31.012  7.3945  132.583    54.858   206.023    105.660  105.479    64.188   36.676  11.000  27.462  8.6379  9.214483       13.98595 
1 1 1 -10 -37 61 o 37.434  6.7728  188.259    59.253   318.555    115.537  141.758    69.021   46.188  10.542  31.526  8.7262  14.66184       13.68476 
1 1 1 -10 -37 62 o 36.201  10.091  195.344    91.954   171.752    230.146  199.826    100.309  34.768  14.994  36.268  10.679  -1.499603      18.40803 
1 1 1 -10 -37 63 o 33.110  10.588  165.903    96.129   84.653     233.755  182.440    105.459  31.668  14.300  34.378  11.100  -2.710461      18.10299 
1 1 1 -10 -37 64 o 42.511  10.212  273.295    104.011  352.274    247.280  256.319    114.646  41.031  16.408  40.207  11.288  0.8237267      19.91615 
1 1 1 -10 -36 1  o 51.192  4.5032  326.277    55.367   374.695    81.056   283.925    75.808   54.271  6.2708  46.934  6.8592  7.336250       9.293664 
1 1 1 -10 -36 2  o 38.791  5.1499  189.940    47.274   174.218    67.958   204.682    65.804   36.239  7.9474  39.655  7.0996  -3.415977      10.65669 
1 1 1 -10 -36 3  o 59.080  4.2527  432.342    60.555   449.817    88.197   416.758    83.289   59.603  6.1887  57.394  6.0731  2.208942       8.670809 
1 1 1 -10 -36 4  o 72.314  4.1149  645.633    71.902   653.623    105.549  638.714    98.216   72.026  6.0967  71.352  5.7211  0.6743164      8.360690 
1 1 1 -10 -36 5  o 31.114  6.1595  125.045    44.856   144.785    66.027   108.126    61.129   33.000  8.2641  28.678  8.3062  4.322596       11.71704 
1 1 1 -10 -36 6  o 56.007  4.2610  388.202    57.470   351.380    83.893   420.761    78.887   52.490  6.7429  57.890  5.6897  -5.400219      8.822630 
1 1 1 -10 -36 7  o 134.013 4.2639  2209.25    138.651  2319.75    202.293  2111.36    190.410  136.335 6.1152  130.117 6.0310  6.218079       8.588871 
1 1 1 -10 -36 8  o 118.574 4.1777  1727.62    120.197  1579.00    172.869  1866.72    167.239  112.256 6.3729  122.628 5.6206  -10.37202      8.497371 
1 1 1 -10 -36 9  o 46.856  5.1991  274.539    58.113   208.697    82.268   340.115    82.102   39.713  8.7717  51.751  6.6953  -12.03810      11.03492 
1 1 1 -10 -36 10 o 83.863  4.1847  863.280    85.153   802.016    121.484  922.451    119.393  80.016  6.3083  86.069  5.7501  -6.052200      8.535726 
1 1 1 -10 -36 11 f 103.022 4.1660  1301.97    104.139  1261.97    148.179  1341.02    146.388  100.625 6.0977  103.855 5.8328  -3.229744      8.438249 
1 1 1 -10 -36 12 o 15.758  6.5916  6.8307     42.210   13.761     59.431   -0.2233    59.961   18.929  7.8614  17.924  7.6904  1.004452       10.99741 
1 1 1 -10 -36 13 o 106.591 4.1478  1392.36    107.275  1205.60    152.387  1575.84    151.042  98.305  6.4240  112.964 5.5105  -14.65985      8.463669 
1 1 1 -10 -36 14 o 86.185  4.1554  909.947    86.898   844.861    122.849  975.127    122.937  82.343  6.1940  88.653  5.7460  -6.309647      8.448811 
1 1 1 -10 -36 15 f 86.303  5.8550  924.455    121.882  924.455    121.882  0.0000     0.0000   86.303  5.8550  ?       ?       0.000000       5.855036 
1 1 1 -10 -36 16 o 95.468  5.8355  1129.48    134.527  1129.48    134.527  0.0000     0.0000   95.468  5.8355  ?       ?       0.000000       5.835503 
1 1 1 -10 -36 17 o 90.982  5.6908  1024.64    124.998  934.101    161.106  1161.57    198.132  86.101  7.7961  95.704  8.6248  -9.603203      11.62611 
1 1 1 -10 -36 18 o 81.815  5.8179  829.675    114.742  682.507    147.727  1053.47    182.171  73.277  8.4643  91.290  8.3153  -18.01301      11.86546 
1 1 1 -10 -36 19 o 58.529  5.7735  426.210    80.924   312.984    109.107  564.655    120.648  48.976  9.5244  66.908  7.5644  -17.93227      12.16279 
1 1 1 -10 -36 20 o 41.062  7.3484  215.691    70.527   236.940    96.193   190.991    103.710  42.493  9.5607  38.074  10.753  4.419220       14.38871 
1 1 1 -10 -36 21 o 41.507  7.0649  219.462    68.604   262.185    93.351   169.291    101.160  44.945  8.8750  36.053  10.752  8.891029       13.94143 
1 1 1 -10 -36 22 o 34.700  7.8570  155.967    64.614   165.084    89.021   145.815    93.934   35.534  9.9369  33.726  10.424  1.807766       14.40116 
1 1 1 -10 -36 23 f 51.788  6.2907  335.955    77.425   301.026    105.930  376.016    113.447  48.079  9.4172  54.027  8.9685  -5.948627      13.00451 
1 1 1 -10 -36 24 o 45.047  4.6464  251.228    50.056   244.917    80.538   255.201    63.897   43.682  7.8889  45.114  5.9850  -1.431648      9.902256 
1 1 1 -10 -36 25 o 42.289  4.8655  222.178    49.016   227.807    83.312   219.199    60.618   41.932  8.4799  41.707  6.1768  0.2248611      10.49097 
1 1 1 -10 -36 26 o 34.660  6.1021  152.472    49.444   162.830    101.793  149.274    56.565   35.460  10.833  34.075  7.0730  1.385422       12.93761 
1 1 1 -10 -36 27 o 62.831  5.4255  489.219    81.904   0.0000     0.0000   489.219    81.904   ?       ?       62.831  5.4255  0.000000       5.425545 
1 1 1 -10 -36 28 o 76.454  5.3181  722.382    98.041   0.0000     0.0000   722.382    98.041   ?       ?       76.454  5.3181  0.000000       5.318101 
1 1 1 -10 -36 29 o 91.593  3.9671  1025.94    88.167   1093.14    132.448  972.464    118.147  93.940  5.8396  88.683  5.5179  5.256935       8.034187 
1 1 1 -10 -36 30 o 89.936  3.7805  988.637    82.498   973.463    118.544  1002.89    114.883  88.704  5.5354  90.119  5.2768  -1.414276      7.647567 
1 1 1 -10 -36 31 o 79.643  3.4912  774.611    67.467   821.431    106.031  742.759    87.456   81.476  5.3939  77.655  4.6631  3.821136       7.130088 
1 1 1 -10 -36 32 o 76.456  3.5133  714.094    65.177   715.570    102.490  713.093    84.455   75.939  5.6019  76.083  4.5964  -0.1445465     7.246192 
1 1 1 -10 -36 33 o 99.160  3.6267  1202.06    87.260   1086.61    133.942  1287.19    115.018  93.507  5.9342  102.366 4.6307  -8.859077      7.527179 
1 1 1 -10 -36 34 o 16.573  5.8261  30.169     29.044   -23.6638   50.258   57.162     35.589   14.754  6.6497  21.310  6.3821  -6.556169      9.216816 
1 1 1 -10 -36 35 o 94.673  3.5863  1096.25    82.382   1115.64    127.648  1082.41    107.850  94.812  5.5731  93.670  4.7609  1.142189       7.329777 
1 1 1 -10 -36 36 o 72.865  3.5445  649.483    62.666   703.359    100.303  614.988    80.259   75.192  5.5366  70.530  4.7170  4.661980       7.273526 
1 1 1 -10 -36 37 o 44.711  4.0072  247.116    43.012   273.302    73.168   233.289    53.168   46.316  6.7058  43.161  5.1804  3.154690       8.473749 
1 1 1 -10 -36 38 o 110.230 3.7995  1489.48    101.623  1369.65    155.642  1578.53    134.170  104.665 6.1557  113.096 4.8893  -8.431236      7.861151 
1 1 1 -10 -36 39 f 132.571 5.8855  2187.72    189.320  2133.78    284.681  2230.49    253.501  128.329 9.2037  132.294 7.9339  -3.964600      12.15131 
1 1 1 -10 -36 40 o 56.002  5.7187  393.911    76.617   579.691    124.313  280.117    97.292   67.176  7.7702  45.925  9.0528  21.25066       11.93017 
1 1 1 -10 -36 41 o 36.292  6.9207  170.913    58.720   187.907    99.616   161.865    72.691   37.134  10.557  34.833  8.6419  2.300251       13.64276 
1 1 1 -10 -36 42 o 62.449  4.1952  482.152    63.200   421.509    136.087  498.828    71.363   55.766  10.441  63.384  4.6731  -7.617893      11.43916 
1 1 1 -10 -36 43 o 56.690  4.0042  397.133    54.725   457.790    92.141   364.076    68.021   60.071  6.4210  53.905  5.2679  6.166016       8.305376 
1 1 1 -10 -36 44 o 44.112  4.3907  242.302    46.371   240.756    81.801   243.034    56.289   42.698  8.1935  43.897  5.3985  -1.198536      9.812157 
1 1 1 -10 -36 45 o 47.859  4.2164  284.397    48.463   270.250    82.642   291.811    59.830   45.442  7.7747  48.204  5.1976  -2.761978      9.352064 
1 1 1 -10 -36 46 o 45.232  4.3773  254.846    47.441   208.746    82.052   277.995    58.145   39.405  8.8037  47.024  5.1820  -7.618797      10.21558 
1 1 1 -10 -36 47 o 39.793  6.8472  205.661    63.729   218.250    112.750  199.751    77.253   39.421  11.239  38.601  8.4798  0.8199844      14.07943 
1 1 1 -10 -36 48 o 52.456  6.0262  350.020    75.308   227.519    131.742  409.477    91.781   39.852  12.349  56.427  6.8436  -16.57435      14.11847 
1 1 1 -10 -36 49 o 23.806  8.2611  68.818     58.306   -15.3510   102.159  109.480    71.006   21.813  9.6796  28.743  9.0905  -6.929445      13.27896 
1 1 1 -10 -36 50 o 16.292  6.4189  20.935     37.318   136.149    65.932   -33.3729   45.266   31.681  8.4293  13.098  6.0554  18.58307       10.37890 
1 1 1 -10 -36 51 o 63.706  4.0658  504.086    62.520   621.291    104.090  437.939    78.197   69.719  6.2183  58.770  5.5494  10.94938       8.334479 
1 1 1 -10 -36 52 o 17.463  6.6366  29.588     38.839   121.911    69.726   -11.9421   46.765   29.847  8.9320  14.741  6.5449  15.10572       11.07318 
1 1 1 -10 -36 53 o 36.278  5.2691  168.722    45.025   125.395    83.639   186.400    53.427   30.191  9.8947  37.877  6.0143  -7.686136      11.57915 
1 1 1 -10 -36 54 o 40.523  4.9209  208.874    47.392   273.263    86.199   180.979    56.737   44.783  8.2362  37.032  6.5541  7.751015       10.52578 
1 1 1 -10 -36 55 o 15.876  6.7143  7.6009     44.572   133.807    84.554   -40.9640   52.451   30.770  9.9399  13.798  6.4266  16.97186       11.83656 
1 1 1 -10 -36 56 o 17.600  7.0212  25.149     45.166   -18.4245   82.181   44.006     54.062   19.011  8.5417  20.459  7.8169  -1.447651      11.57860 
1 1 1 -10 -36 57 f 15.788  6.7211  6.2375     45.157   -96.3255   88.613   42.214     52.482   16.442  7.8623  20.095  7.6961  -3.653322      11.00208 
1 1 1 -10 -36 58 o 22.162  8.3297  56.489     60.778   -10.8659   101.079  94.633     76.065   21.236  9.5119  26.607  9.4207  -5.371548      13.38749 
1 1 1 -10 -36 59 o 22.879  8.5304  62.060     63.494   -31.8354   110.833  107.929    77.465   21.190  9.6777  27.908  9.5293  -6.717485      13.58182 
1 1 1 -10 -36 60 o 18.763  7.4111  31.846     49.861   39.808     97.854   29.054     57.948   23.686  9.9792  19.363  7.8718  4.322771       12.71020 
1 1 1 -10 -36 61 o 27.985  7.7864  108.355    54.805   123.260    108.052  103.192    63.591   29.922  11.134  27.285  8.5999  2.637754       14.06834 
1 1 1 -10 -36 62 o 23.570  7.8847  73.219     53.023   -106.5929  106.416  132.602    61.155   18.063  8.6315  30.793  8.0827  -12.73022      11.82507 
1 1 1 -10 -36 63 o 28.187  10.084  109.565    87.375   165.027    210.441  98.012     96.045   34.276  14.548  27.500  10.440  6.776285       17.90632 
1 1 1 -10 -36 64 o 28.542  10.163  115.031    88.642   86.134     235.010  119.824    95.712   31.742  14.336  29.070  10.535  2.671625       17.79035 
1 1 1 -10 -36 65 o 27.155  10.105  101.166    89.015   316.475    239.339  66.602     95.895   39.467  16.015  24.865  10.119  14.60283       18.94417 
1 1 1 -10 -35 1  o 34.738  5.5917  153.744    45.532   117.510    64.556   189.613    64.230   29.796  8.5078  38.147  7.2033  -8.350822      11.14765 
1 1 1 -10 -35 2  o 22.225  6.4448  63.374     36.782   84.953     50.414   38.812     53.784   25.613  7.5791  20.391  7.7954  5.221909       10.87246 
1 1 1 -10 -35 3  o 64.778  4.0969  517.833    64.062   544.687    94.217   494.743    87.366   65.836  5.9627  62.781  5.8008  3.055367       8.318852 
1 1 1 -10 -35 4  o 86.079  3.9780  909.752    83.086   913.252    121.658  906.692    113.743  85.448  5.9040  85.298  5.5254  0.1501694      8.086225 
1 1 1 -10 -35 5  o 37.581  5.0788  177.523    45.126   122.432    64.677   229.781    62.993   30.498  8.4491  42.493  6.3005  -11.99446      10.53960 
1 1 1 -10 -35 6  o 16.974  6.1669  29.921     32.828   19.073     46.442   40.754     46.411   17.566  7.0802  19.894  7.3165  -2.328701      10.18139 
1 1 1 -10 -35 7  o 44.883  4.5419  250.124    48.783   186.565    72.236   303.417    66.145   37.742  8.1282  49.197  5.6431  -11.45537      9.895117 
1 1 1 -10 -35 8  o 34.765  5.2933  152.390    43.242   167.677    62.132   138.029    60.219   35.967  7.3672  32.506  7.7451  3.460812       10.68933 
1 1 1 -10 -35 9  o 64.841  4.0912  517.094    64.038   522.271    91.837   512.195    89.341   64.694  5.9159  64.094  5.8078  0.5998077      8.290309 
1 1 1 -10 -35 10 o 68.585  4.0699  577.940    67.427   558.970    96.019   596.395    94.706   66.963  5.9723  69.269  5.6849  -2.306473      8.245376 
1 1 1 -10 -35 11 o 83.503  3.9636  853.014    80.309   782.380    115.326  919.512    111.899  79.323  6.0372  86.239  5.3743  -6.915947      8.082717 
1 1 1 -10 -35 12 o 59.088  4.1764  429.386    59.492   413.743    84.671   444.638    83.609   57.540  6.1604  59.756  5.8411  -2.216248      8.489319 
1 1 1 -10 -35 13 o 102.631 4.0579  1288.05    101.052  1209.62    141.762  1369.07    144.084  98.845  5.9383  105.273 5.6615  -6.427750      8.204650 
1 1 1 -10 -35 14 f 163.548 6.5113  3308.65    258.392  3308.65    258.392  0.0000     0.0000   163.548 6.5113  ?       ?       0.000000       6.511338 
1 1 1 -10 -35 15 o 75.203  5.9209  700.900    107.166  700.900    107.166  0.0000     0.0000   75.203  5.9209  ?       ?       0.000000       5.920900 
1 1 1 -10 -35 16 o 24.576  8.6503  67.491     64.042   67.491     64.042   0.0000     0.0000   24.576  8.6503  ?       ?       0.000000       8.650292 
1 1 1 -10 -35 17 o 71.718  4.6914  632.341    81.188   643.143    104.970  616.258    128.085  72.017  6.0635  70.035  7.6623  1.981758       9.771229 
1 1 1 -10 -35 18 o 72.277  3.9446  639.633    68.917   720.447    104.764  577.985    91.502   76.357  5.6955  68.378  5.5633  7.979614       7.961779 
1 1 1 -10 -35 19 o 30.949  8.0229  123.566    60.747   80.479     81.346   177.889    91.339   27.145  9.7282  36.940  9.9623  -9.794579      13.92426 
1 1 1 -10 -35 20 o 90.695  5.5134  1013.33    120.754  1213.58    164.174  777.306    178.234  98.881  6.8857  78.133  9.6036  20.74809       11.81702 
1 1 1 -10 -35 21 o 32.391  7.8990  135.401    61.523   110.716    84.909   162.686    89.269   30.196  9.9731  35.433  9.9656  -5.236679      14.09878 
1 1 1 -10 -35 22 o 27.466  8.3516  94.664     60.604   153.402    84.123   31.285     87.383   34.444  9.6693  23.747  9.6616  10.69716       13.66904 
1 1 1 -10 -35 23 o 26.729  8.3471  88.605     60.060   76.548     83.941   101.253    85.972   27.002  9.8534  29.360  10.039  -2.357576      14.06654 
1 1 1 -10 -35 24 o 17.822  7.5766  2.1101     57.243   88.446     89.040   -58.7101   74.733   28.398  10.178  16.822  7.7782  11.57606       12.80964 
1 1 1 -10 -35 25 o 89.261  4.3420  973.706    94.041   1070.54    169.105  930.354    113.151  92.616  7.5918  86.919  5.3917  5.696404       9.311567 
1 1 1 -10 -35 26 o 13.020  5.8636  -19.2330   38.989   0.0000     0.0000   -19.2330   38.989   ?       ?       13.020  5.8636  0.000000       5.863558 
1 1 1 -10 -35 27 o 73.161  5.2909  660.001    93.289   0.0000     0.0000   660.001    93.289   ?       ?       73.161  5.2909  0.000000       5.290873 
1 1 1 -10 -35 28 o 68.969  4.0384  582.931    67.287   580.692    103.504  584.570    88.552   68.346  6.3127  68.809  5.3458  -0.4625168     8.272139 
1 1 1 -10 -35 29 o 21.546  6.2068  58.533     34.217   85.083     50.079   35.287     46.860   25.896  7.5232  19.455  7.3137  6.440329       10.49232 
1 1 1 -10 -35 30 f 70.665  3.4944  609.090    59.916   626.866    93.970   596.913    77.776   71.209  5.4808  69.666  4.6274  1.542984       7.173003 
1 1 1 -10 -35 31 o 153.297 4.1581  2873.65    154.667  3018.21    229.921  2754.16    209.032  156.416 6.0581  149.536 5.7611  6.880432       8.360014 
1 1 1 -10 -35 32 o 94.509  3.5506  1090.17    81.422   1092.50    125.123  1088.46    107.233  94.060  5.5064  94.224  4.6903  -0.1641922     7.233179 
1 1 1 -10 -35 33 o 57.479  3.5988  404.969    49.938   393.649    80.162   412.148    63.839   56.163  5.9741  57.805  4.5893  -1.642189      7.533345 
1 1 1 -10 -35 34 o 78.225  4.2989  751.780    81.281   767.511    104.482  727.665    129.361  78.730  5.5040  76.145  7.0828  2.584610       8.969945 
1 1 1 -10 -35 35 o 70.617  3.5078  609.106    60.104   686.271    95.574   558.624    77.303   74.448  5.3260  67.273  4.7667  7.174973       7.147547 
1 1 1 -10 -35 36 o 64.483  3.6002  509.815    56.105   493.086    90.216   520.365    71.644   62.832  5.9901  64.942  4.5759  -2.109818      7.537892 
1 1 1 -10 -35 37 o 29.334  5.0820  108.941    34.861   268.352    60.605   30.117     42.617   46.297  5.5028  18.262  6.9492  28.03441       8.864115 
1 1 1 -10 -35 38 o 47.938  3.9104  283.364    45.089   276.973    75.263   286.941    56.313   46.629  6.8569  48.025  4.9013  -1.395432      8.428516 
1 1 1 -10 -35 39 o 9.9919  4.6068  -19.9416   25.936   -79.1076   49.480   2.4730     30.455   11.706  5.6670  13.154  5.5559  -1.447742      7.936206 
1 1 1 -10 -35 40 o 34.605  7.0347  155.357    57.054   172.134    96.839   146.437    70.610   35.832  10.476  33.255  8.6639  2.577194       13.59481 
1 1 1 -10 -35 41 o 83.464  5.3986  866.786    108.747  943.619    170.048  813.622    141.452  85.701  8.2807  79.998  7.3702  5.703003       11.08562 
1 1 1 -10 -35 42 o 57.800  5.6860  419.100    78.712   451.083    127.796  399.551    99.912   58.467  9.3212  55.721  7.5870  2.746048       12.01867 
1 1 1 -10 -35 43 o 27.839  5.4550  99.388     35.530   76.912     65.069   108.936    42.411   25.301  8.7301  29.001  6.2140  -3.700254      10.71579 
1 1 1 -10 -35 44 o 29.812  5.5266  113.810    38.506   53.816     67.627   142.591    46.840   23.180  8.7699  33.322  6.0145  -10.14182      10.63419 
1 1 1 -10 -35 45 o 24.532  6.2830  78.250     37.563   56.625     65.640   88.781     45.805   23.259  8.6731  26.067  7.0653  -2.808626      11.18665 
1 1 1 -10 -35 46 o 41.386  4.7945  214.580    47.255   269.547    77.986   182.688    59.402   45.609  7.2927  37.556  6.7676  8.052734       9.949073 
1 1 1 -10 -35 47 o 34.782  5.5038  154.111    44.903   150.303    74.493   156.285    56.276   33.417  8.9904  34.596  6.9453  -1.179276      11.36066 
1 1 1 -10 -35 48 o 26.236  7.8885  89.791     54.292   120.723    92.796   73.692     66.945   30.604  10.430  24.954  8.8376  5.650124       13.67061 
1 1 1 -10 -35 49 o 14.601  6.5518  -18.7205   48.184   -74.3744   90.322   3.4183     56.967   17.890  8.3659  17.576  7.5172  0.3134861      11.24704 
1 1 1 -10 -35 50 o 45.179  6.4772  262.913    68.973   603.786    126.474  118.618    82.287   68.066  7.7985  29.954  9.8143  38.11245       12.53542 
1 1 1 -10 -35 51 o 45.728  4.7354  262.558    51.780   206.828    88.701   291.367    63.774   38.683  9.5157  47.890  5.5936  -9.207035      11.03799 
1 1 1 -10 -35 52 o 24.499  6.4198  79.130     38.623   51.794     71.433   90.422     45.913   23.001  8.9331  26.086  7.0748  -3.085732      11.39535 
1 1 1 -10 -35 53 o 15.701  6.2911  17.301     36.432   58.226     66.713   -0.0907    43.489   23.128  8.7201  15.131  6.5214  7.997385       10.88891 
1 1 1 -10 -35 54 o 45.560  4.6879  261.769    51.084   221.595    93.366   278.934    61.029   39.549  9.7834  46.728  5.4871  -7.179253      11.21706 
1 1 1 -10 -35 55 o 43.316  4.8714  238.008    50.312   271.302    93.509   224.442    59.687   44.171  9.0295  41.546  6.1028  2.624912       10.89846 
1 1 1 -10 -35 56 o 41.290  5.9060  221.428    57.485   146.154    109.731  249.900    67.486   32.083  11.320  43.577  6.5881  -11.49485      13.09731 
1 1 1 -10 -35 57 o 20.274  7.4322  47.053     47.835   43.117     97.728   48.293     54.856   24.043  10.041  20.979  7.9078  3.064228       12.78106 
1 1 1 -10 -35 58 o 42.180  7.9029  243.562    77.910   140.232    118.741  321.676    103.241  31.523  11.683  47.690  9.2559  -16.16689      14.90505 
1 1 1 -10 -35 59 o 32.161  12.451  144.437    138.431  144.437    138.431  0.0000     0.0000   32.161  12.451  ?       ?       0.000000       12.45106 
1 1 1 -10 -35 60 o 35.800  8.9984  182.551    78.076   391.062    149.128  103.816    91.639   49.938  12.371  27.998  10.283  21.93935       16.08709 
1 1 1 -10 -35 61 o 12.654  5.9292  -40.3965   45.761   73.877     107.719  -65.5607   50.549   26.579  10.758  12.255  5.8809  14.32413       12.26087 
1 1 1 -10 -35 62 o 10.795  5.2523  -72.2317   43.925   -121.1044  106.173  -62.1396   48.247   17.650  8.4839  12.008  5.7577  5.642694       10.25322 
1 1 1 -10 -35 63 o 40.145  10.041  236.695    97.553   245.157    242.346  235.058    106.569  38.253  15.880  39.488  10.808  -1.235245      19.20864 
1 1 1 -10 -35 64 o 29.219  10.225  120.858    89.407   -125.4687  237.706  161.449    96.493   26.860  12.853  32.876  10.618  -6.015987      16.67188 
1 1 1 -10 -35 65 o 15.917  7.6339  -94.9344   84.923   -145.4947  249.331  -88.2990   90.324   26.679  12.867  16.776  7.9989  9.902678       15.15032 
1 1 1 -10 -34 1  o 77.118  6.2549  747.472    116.033  686.423    218.073  771.581    137.043  69.833  13.357  77.861  7.3406  -8.027489      15.24092 
1 1 1 -10 -34 2  o 146.659 6.5217  2690.47    232.080  2708.65    376.530  2679.33    294.719  143.001 10.935  144.696 8.4309  -1.694611      13.80739 
1 1 1 -10 -34 3  o 77.727  6.2093  756.924    116.128  797.436    214.727  740.177    138.060  76.745  11.918  76.284  7.5583  0.4616241      14.11239 
1 1 1 -10 -34 4  o 73.934  6.2101  684.337    110.373  613.383    201.907  714.577    131.811  66.695  12.943  75.117  7.3251  -8.421745      14.87238 
1 1 1 -10 -34 5  o 50.150  5.6421  314.800    67.464   221.707    167.977  332.704    73.666   40.991  14.032  51.470  6.0119  -10.47877      15.26593 
1 1 1 -10 -34 6  o 102.878 4.7889  1301.21    119.543  1424.47    251.618  1265.27    135.854  104.947 10.002  101.071 5.5610  3.876228       11.44416 
1 1 1 -10 -34 7  o 134.514 4.1841  2216.27    136.562  2269.07    198.285  2168.63    188.352  135.412 6.0349  132.455 5.8605  2.956818       8.412232 
1 1 1 -10 -34 8  o 161.186 4.4889  3184.83    175.563  3200.18    253.119  3170.59    243.715  160.674 6.4925  160.041 6.2761  0.6327667      9.030067 
1 1 1 -10 -34 9  o 123.098 4.0707  1853.18    121.587  1822.96    175.278  1881.21    168.805  121.543 5.9434  123.576 5.6297  -2.033630      8.186430 
1 1 1 -10 -34 10 o 85.324  3.9276  889.466    81.314   866.147    117.326  911.019    112.798  83.656  5.8162  85.910  5.4392  -2.254051      7.963254 
1 1 1 -10 -34 11 o 72.171  4.0113  638.247    69.968   553.894    100.082  718.885    97.854   66.728  6.2543  76.333  5.3165  -9.604980      8.208623 
1 1 1 -10 -34 12 o 70.649  4.0360  611.546    68.900   559.590    98.350   661.622    96.554   67.140  6.1038  73.202  5.4758  -6.061523      8.200018 
1 1 1 -10 -34 13 o 86.849  5.6315  930.160    118.033  930.160    118.033  0.0000     0.0000   86.849  5.6315  ?       ?       0.000000       5.631521 
1 1 1 -10 -34 14 o 96.938  5.6306  1157.28    131.868  1157.28    131.868  0.0000     0.0000   96.938  5.6306  ?       ?       0.000000       5.630620 
1 1 1 -10 -34 15 o 106.177 4.6155  1378.16    118.909  1384.47    145.297  1365.36    206.919  106.070 5.6660  104.525 8.2250  1.545158       9.987722 
1 1 1 -10 -34 16 o 100.084 3.9515  1221.82    95.961   1097.55    135.836  1345.61    135.583  94.354  5.9639  104.664 5.3567  -10.31021      8.016433 
1 1 1 -10 -34 17 o 74.340  3.8928  675.689    69.973   674.302    105.907  676.763    93.216   73.882  5.9584  74.173  5.2126  -0.2908630     7.916660 
1 1 1 -10 -34 18 o 160.380 4.3773  3140.12    170.340  3277.39    245.534  3012.76    236.514  163.338 6.1953  156.596 6.2246  6.742233       8.782214 
1 1 1 -10 -34 19 o 59.431  4.0823  432.804    58.512   473.699    91.274   404.274    76.237   61.814  6.1678  57.180  5.5654  4.634331       8.307577 
1 1 1 -10 -34 20 o 62.202  4.0243  473.741    60.412   540.505    92.991   424.986    79.465   66.139  5.8551  58.626  5.6565  7.512325       8.141103 
1 1 1 -10 -34 21 o 30.812  8.0835  121.799    61.189   59.932     84.824   188.918    88.351   25.756  9.8032  38.186  9.5580  -12.42967      13.69152 
1 1 1 -10 -34 22 o 107.631 5.5562  1422.66    144.610  1437.78    198.149  1405.44    211.524  107.629 7.6371  106.199 8.2740  1.430077       11.25988 
1 1 1 -10 -34 23 o 24.363  8.5086  66.084     61.899   94.396     90.035   40.710     85.238   29.084  10.255  24.288  9.6591  4.796215       14.08739 
1 1 1 -10 -34 24 o 94.179  5.7395  1091.17    130.530  1399.13    181.790  763.426    187.539  106.324 7.0871  77.454  10.229  28.86964       12.44445 
1 1 1 -10 -34 25 o 55.241  9.3690  390.217    121.093  0.0000     0.0000   390.217    121.093  ?       ?       55.241  9.3690  0.000000       9.369008 
1 1 1 -10 -34 26 o 167.351 9.4720  3507.25    383.043  0.0000     0.0000   3507.25    383.043  ?       ?       167.351 9.4720  0.000000       9.471992 
1 1 1 -10 -34 27 o 72.833  4.0478  649.066    71.252   664.115    111.275  638.607    92.763   73.237  6.3239  72.015  5.3468  1.221146       8.281315 
1 1 1 -10 -34 28 o 90.457  3.7538  997.515    82.391   1076.20    118.134  922.989    114.966  93.604  5.2222  86.603  5.4996  7.000458       7.583951 
1 1 1 -10 -34 29 o 113.111 3.7268  1559.87    102.283  1406.07    154.639  1679.50    136.377  106.812 5.9909  117.178 4.7966  -10.36645      7.674488 
1 1 1 -10 -34 30 o 86.969  3.4906  921.764    73.658   990.677    113.808  872.089    96.626   89.758  5.2484  84.302  4.7430  5.455856       7.074050 
1 1 1 -10 -34 31 o 90.709  3.5356  1003.09    77.818   978.805    119.990  1020.71    102.234  89.117  5.5772  91.230  4.6336  -2.113342      7.250896 
1 1 1 -10 -34 32 o 67.697  3.5233  560.295    57.673   548.081    91.786   568.263    74.136   66.530  5.7421  68.011  4.5182  -1.480667      7.306524 
1 1 1 -10 -34 33 o 66.228  3.5172  536.445    56.318   590.826    89.433   500.711    72.497   69.157  5.3718  63.769  4.7189  5.387878       7.150131 
1 1 1 -10 -34 34 o 82.429  3.5037  828.899    70.075   892.674    109.650  784.869    91.109   85.069  5.3392  79.894  4.7208  5.175148       7.126928 
1 1 1 -10 -34 35 o 115.491 3.7222  1628.96    104.307  1766.73    159.091  1525.08    138.142  119.817 5.4722  111.423 5.1096  8.393929       7.486900 
1 1 1 -10 -34 36 o 147.707 4.0868  2669.43    146.470  2870.47    219.575  2508.25    196.603  152.456 5.9357  142.618 5.6813  9.837677       8.216486 
1 1 1 -10 -34 37 o 127.043 3.8274  1973.62    117.981  2212.98    179.585  1791.86    156.491  133.956 5.5251  120.601 5.3478  13.35547       7.689363 
1 1 1 -10 -34 38 o 97.352  3.6635  1158.66    86.537   1148.40    134.823  1165.84    112.851  96.203  5.8030  97.393  4.7754  -1.190887      7.515244 
1 1 1 -10 -34 39 o 48.431  3.9122  289.030    45.581   290.439    76.390   288.251    56.801   47.834  6.7708  48.149  4.9315  -0.3145180     8.376358 
1 1 1 -10 -34 40 o 74.850  3.6263  685.449    65.859   702.952    106.215  674.517    83.945   75.076  5.8776  73.896  4.7062  1.179466       7.529623 
1 1 1 -10 -34 41 o 87.118  5.4176  942.473    113.952  906.343    177.056  968.022    148.886  83.853  8.8351  87.600  7.0647  -3.746712      11.31231 
1 1 1 -10 -34 42 o 132.688 5.8827  2188.57    189.398  2203.90    285.316  2176.49    253.242  130.768 9.0477  130.769 8.0199  -0.1037598E-02 12.09047 
1 1 1 -10 -34 43 o 76.226  5.4607  723.948    100.330  771.739    158.652  692.098    129.516  77.262  8.6092  73.751  7.3349  3.511223       11.31011 
1 1 1 -10 -34 44 o 45.303  4.1611  254.341    45.229   294.759    79.259   234.824    55.077   47.943  7.0215  43.209  5.3690  4.733345       8.838917 
1 1 1 -10 -34 45 o 77.621  3.8569  739.582    72.642   611.358    115.355  823.844    93.512   69.367  6.9469  81.550  4.7464  -12.18244      8.413564 
1 1 1 -10 -34 46 o 27.079  6.2746  95.286     40.420   101.904    68.040   91.676     50.247   28.118  8.8992  26.509  7.4840  1.609068       11.62782 
1 1 1 -10 -34 47 o 37.151  5.1945  174.298    45.545   110.575    76.374   209.465    56.737   29.253  9.4466  40.567  5.9401  -11.31325      11.15899 
1 1 1 -10 -34 48 o 40.427  5.8436  207.967    55.657   147.046    76.998   274.630    80.545   33.071  9.2392  45.965  7.4790  -12.89414      11.88688 
1 1 1 -10 -34 49 o 47.468  6.6737  289.270    74.742   229.447    128.545  319.826    91.868   40.302  12.143  49.432  7.9273  -9.130089      14.50140 
1 1 1 -10 -34 50 f 43.749  6.8384  247.608    70.215   235.256    126.603  253.095    84.382   40.659  12.005  43.657  8.2686  -2.997513      14.57691 
1 1 1 -10 -34 51 o 56.503  4.2198  396.495    57.436   504.263    102.216  346.767    69.434   62.666  6.8332  52.375  5.5482  10.29098       8.801961 
1 1 1 -10 -34 52 o 61.238  4.2663  466.203    62.996   532.056    109.466  433.595    77.030   64.106  7.1598  58.588  5.4823  5.517490       9.017685 
1 1 1 -10 -34 53 o 33.167  5.6637  141.923    43.943   111.158    84.451   153.344    51.457   29.104  9.9497  34.238  6.4301  -5.134220      11.84664 
1 1 1 -10 -34 54 o 46.353  4.7792  270.755    52.982   232.833    100.800  285.230    62.278   40.467  10.253  47.299  5.5309  -6.832035      11.65003 
1 1 1 -10 -34 55 o 76.274  4.1124  723.823    75.827   770.098    132.824  701.450    92.356   76.759  7.2162  74.567  5.1358  2.191910       8.857235 
1 1 1 -10 -34 56 o 47.390  5.4216  287.095    61.220   410.661    120.508  244.111    71.075   54.269  9.4977  42.900  7.0747  11.36874       11.84305 
1 1 1 -10 -34 57 o 22.043  8.7045  46.493     68.770   44.353     106.423  48.027     90.112   24.874  10.439  23.886  9.7752  0.9878902      14.30165 
1 1 1 -10 -34 58 o 58.048  5.1928  429.026    72.366   427.947    137.965  429.435    84.998   53.978  10.909  57.520  6.1874  -3.541283      12.54157 
1 1 1 -10 -34 59 o 27.469  9.1346  103.032    71.187   214.217    139.970  64.239     82.678   37.047  12.803  24.442  9.5779  12.60480       15.98912 
1 1 1 -10 -34 60 o 24.917  8.8643  79.300     67.423   -115.6889  135.173  143.879    77.791   20.659  9.8322  31.756  9.4188  -11.09736      13.61561 
1 1 1 -10 -34 61 o 14.838  6.6392  -14.5328   49.103   -121.3737  111.963  10.911     54.638   18.297  8.7727  17.539  7.4266  0.7579689      11.49416 
1 1 1 -10 -34 62 o 34.198  7.9038  161.112    64.270   357.394    232.687  144.901    66.871   44.108  16.353  32.191  8.4531  11.91682       18.40852 
1 1 1 -10 -34 63 o 14.576  7.0476  -105.1755  75.956   -167.8942  216.952  -96.4139   81.088   25.241  12.131  15.544  7.4564  9.696732       14.23954 
1 1 1 -10 -34 64 f 25.500  9.9947  73.819     90.047   139.411    260.938  64.952     95.941   34.784  15.451  25.214  10.172  9.570002       18.49837 
1 1 1 -10 -34 65 o 28.942  10.746  115.519    100.556  346.869    269.845  78.212     108.361  41.475  16.938  26.603  10.783  14.87211       20.07882 
1 1 1 -10 -33 1  o 140.999 6.4048  2478.09    219.120  2454.30    357.130  2492.46    277.491  136.613 10.864  140.009 8.2041  -3.395996      13.61338 
1 1 1 -10 -33 2  o 36.643  8.4629  176.529    73.727   124.985    158.958  190.656    83.219   34.584  13.355  37.938  9.1470  -3.354401      16.18740 
1 1 1 -10 -33 3  o 52.887  7.0017  354.642    87.641   437.377    173.766  326.416    101.496  56.339  12.979  50.150  8.6537  6.188953       15.59913 
1 1 1 -10 -33 4  o 55.387  6.7622  386.768    88.991   221.731    174.822  444.490    103.389  41.406  14.308  59.239  7.3509  -17.83311      16.08619 
1 1 1 -10 -33 5  o 87.692  5.8338  953.293    123.421  1085.81    218.070  890.840    149.705  91.832  9.9456  84.209  7.4019  7.622780       12.39771 
1 1 1 -10 -33 6  o 132.860 6.0428  2179.22    194.805  2475.90    315.916  1997.20    247.449  139.652 9.3775  126.074 8.1324  13.57802       12.41268 
1 1 1 -10 -33 7  o 84.888  5.8699  891.813    120.162  1035.95    206.298  817.802    147.827  90.119  9.5813  80.718  7.6387  9.401833       12.25360 
1 1 1 -10 -33 8  o 54.424  6.7941  371.630    87.765   422.756    165.401  351.594    103.544  56.249  12.448  52.459  8.4194  3.789673       15.02810 
1 1 1 -10 -33 9  f 119.965 5.9007  1769.94    171.761  1940.65    275.335  1661.18    219.766  124.113 9.2085  115.355 7.8992  8.757286       12.13231 
1 1 1 -10 -33 10 o 52.178  6.9368  341.728    85.647   315.684    160.917  352.022    101.168  48.622  13.269  52.643  8.1862  -4.020561      15.59128 
1 1 1 -10 -33 11 o 70.317  4.9517  607.908    83.946   586.894    177.975  613.921    95.201   67.274  11.304  70.535  5.6089  -3.260765      12.61903 
1 1 1 -10 -33 12 o 62.041  5.8712  476.352    87.331   476.352    87.331   0.0000     0.0000   62.041  5.8712  ?       ?       0.000000       5.871152 
1 1 1 -10 -33 13 o 97.617  5.5969  1171.16    132.015  1171.16    132.015  0.0000     0.0000   97.617  5.5969  ?       ?       0.000000       5.596924 
1 1 1 -10 -33 14 o 98.818  4.5400  1192.03    108.857  1289.61    132.879  992.913    189.816  102.522 5.3602  88.999  8.9096  13.52378       10.39774 
1 1 1 -10 -33 15 o 198.220 4.9260  4800.23    236.920  4685.44    338.210  4910.82    331.988  195.088 7.1448  199.844 6.8465  -4.755692      9.895597 
1 1 1 -10 -33 16 o 129.704 4.0256  2050.22    126.691  2146.48    184.303  1963.98    174.439  132.407 5.7366  126.666 5.6757  5.741478       8.069860 
1 1 1 -10 -33 17 o 58.753  3.8593  422.269    54.711   431.850    83.404   415.033    72.487   59.100  5.8948  58.049  5.2015  1.050518       7.861584 
1 1 1 -10 -33 18 o 111.542 3.8671  1515.40    104.661  1494.35    151.896  1534.44    144.414  110.368 5.6914  112.045 5.3119  -1.676590      7.785162 
1 1 1 -10 -33 19 o 89.725  3.8444  980.448    83.697   962.118    124.642  995.500    112.950  88.473  5.8390  90.123  5.1871  -1.649704      7.810196 
1 1 1 -10 -33 20 o 59.312  4.1283  430.709    59.042   463.339    92.890   408.590    76.479   61.163  6.3517  57.546  5.5459  3.617550       8.432192 
1 1 1 -10 -33 21 o 39.124  5.0471  189.952    46.795   182.106    78.562   194.267    58.258   37.642  8.7651  39.337  6.3174  -1.695316      10.80447 
1 1 1 -10 -33 22 o 39.777  5.9874  197.911    55.996   255.232    82.979   149.981    75.878   44.877  7.9095  34.193  9.0166  10.68369       11.99413 
1 1 1 -10 -33 23 o 52.427  9.4282  350.782    115.526  0.0000     0.0000   350.782    115.526  ?       ?       52.427  9.4282  0.000000       9.428189 
1 1 1 -10 -33 24 o 89.101  8.1990  987.776    175.269  0.0000     0.0000   987.776    175.269  ?       ?       89.101  8.1990  0.000000       8.198956 
1 1 1 -10 -33 25 o 120.340 8.4349  1798.13    244.735  0.0000     0.0000   1798.13    244.735  ?       ?       120.340 8.4349  0.000000       8.434858 
1 1 1 -10 -33 26 o 67.692  6.0904  565.879    98.963   493.378    140.746  636.773    139.178  62.326  9.6162  71.364  8.1856  -9.037975      12.62835 
1 1 1 -10 -33 27 o 140.505 5.8878  2418.17    200.728  2014.66    274.723  2880.30    294.002  127.158 8.9614  152.543 7.9708  -25.38489      11.99337 
1 1 1 -10 -33 28 o 190.111 4.6393  4411.93    214.006  4527.60    313.029  4310.43    293.240  191.940 6.7213  187.375 6.4498  4.564728       9.315410 
1 1 1 -10 -33 29 o 98.363  3.5468  1178.21    84.650   1489.90    130.012  948.849    111.529  110.430 4.8521  87.921  5.2519  22.50882       7.150236 
1 1 1 -10 -33 30 o 94.362  3.5315  1084.47    80.858   1079.26    123.318  1088.40    107.091  93.731  5.4457  94.395  4.6756  -0.6637802     7.177551 
1 1 1 -10 -33 31 o 57.835  3.6078  409.102    50.376   366.455    81.018   435.982    64.321   54.264  6.2686  59.586  4.4817  -5.321514      7.705904 
1 1 1 -10 -33 32 o 69.982  3.5442  598.256    59.986   545.925    95.666   632.162    77.005   66.407  6.0020  71.806  4.4415  -5.398140      7.466672 
1 1 1 -10 -33 33 o 45.662  3.9055  256.196    42.854   283.594    69.405   239.315    54.478   47.641  6.1474  43.895  5.2171  3.746082       8.062835 
1 1 1 -10 -33 34 o 111.226 3.7038  1508.92    99.959   1499.77    152.201  1515.86    132.553  110.344 5.7042  111.257 4.9102  -0.9130859     7.526436 
1 1 1 -10 -33 35 o 54.227  3.6919  360.411    48.288   381.074    78.449   347.807    61.270   55.338  5.9352  53.077  4.8098  2.261185       7.639409 
1 1 1 -10 -33 36 o 83.651  3.5637  853.728    72.332   898.313    113.076  822.849    94.104   85.309  5.4919  81.809  4.7613  3.499527       7.268517 
1 1 1 -10 -33 37 o 122.560 3.8204  1835.01    113.610  1910.33    172.513  1777.32    150.971  124.521 5.7097  120.273 5.1732  4.248383       7.704741 
1 1 1 -10 -33 38 o 85.970  3.5781  902.502    74.638   959.485    117.824  864.310    96.461   88.079  5.5414  83.791  4.7642  4.287628       7.307802 
1 1 1 -10 -33 39 o 54.940  3.8155  370.830    50.548   406.147    82.976   349.989    63.740   56.982  6.0960  53.124  5.0038  3.857342       7.886654 
1 1 1 -10 -33 40 o 58.977  3.7671  427.138    53.626   431.018    87.822   424.831    67.716   58.629  6.2706  58.596  4.8051  0.3383636E-01  7.899954 
1 1 1 -10 -33 41 o 42.590  5.3397  227.230    53.969   197.880    73.872   260.828    79.036   38.951  8.0810  45.054  7.4930  -6.103077      11.02031 
1 1 1 -10 -33 42 o 128.028 5.7863  2032.08    179.752  2029.28    270.941  2034.29    240.234  125.826 8.9325  126.751 7.8498  -0.9248047     11.89154 
1 1 1 -10 -33 43 o 52.630  5.8676  347.917    73.656   308.271    120.352  371.659    93.134   47.761  10.656  53.934  7.3047  -6.172409      12.91921 
1 1 1 -10 -33 44 o 51.462  5.8354  333.024    71.577   350.590    114.808  321.855    91.546   51.414  9.5547  49.904  7.8170  1.509739       12.34490 
1 1 1 -10 -33 45 o 45.336  4.3879  255.186    47.665   230.135    80.544   268.687    59.130   41.874  8.2208  46.277  5.3656  -4.403187      9.816872 
1 1 1 -10 -33 46 o 42.427  4.6579  224.532    47.161   240.270    77.004   215.085    59.659   42.980  7.6650  41.094  6.1741  1.885387       9.842339 
1 1 1 -10 -33 47 f 18.338  6.6537  35.620     38.198   93.353     68.946   10.050     45.884   27.249  8.9862  16.582  6.8988  10.66706       11.32899 
1 1 1 -10 -33 48 o 58.859  4.2283  428.534    59.984   383.017    102.452  452.275    73.991   54.290  8.0188  60.214  5.1127  -5.924030      9.510050 
1 1 1 -10 -33 49 o 88.272  5.5380  973.597    118.015  909.481    198.538  1008.63    146.756  82.592  10.119  89.186  6.8337  -6.594002      12.21006 
1 1 1 -10 -33 50 o 34.005  7.0561  151.423    56.312   194.542    107.592  135.154    66.087   37.503  11.065  31.801  8.4287  5.701906       13.90971 
1 1 1 -10 -33 51 o 24.847  7.9822  78.659     54.584   184.277    109.873  44.051     62.894   36.462  11.274  21.733  8.3985  14.72914       14.05838 
1 1 1 -10 -33 52 o 41.059  4.9895  212.571    48.686   274.401    92.917   189.170    57.161   45.171  8.7939  38.243  6.3852  6.927509       10.86756 
1 1 1 -10 -33 53 o 37.515  5.3717  179.365    47.501   220.014    92.493   164.803    55.360   39.863  9.6631  35.489  6.6739  4.374302       11.74381 
1 1 1 -10 -33 54 o 51.538  4.5107  332.321    55.840   334.159    103.346  331.564    66.360   49.642  8.9072  51.136  5.4315  -1.494503      10.43260 
1 1 1 -10 -33 55 o 102.453 4.1296  1300.92    102.660  1338.07    173.107  1280.77    127.501  101.664 7.0613  100.898 5.2259  0.7661057      8.784766 
1 1 1 -10 -33 56 o 58.339  4.4818  426.366    62.957   472.477    116.419  407.307    74.845   59.287  8.3220  56.554  5.5248  2.733044       9.988922 
1 1 1 -10 -33 57 o 77.654  4.5970  756.094    86.232   839.573    156.520  719.714    103.327  79.093  8.2784  75.099  5.7133  3.994141       10.05855 
1 1 1 -10 -33 58 o 36.358  6.8541  176.144    58.249   16.485     116.894  228.884    67.184   24.195  10.558  41.538  6.9085  -17.34348      12.61705 
1 1 1 -10 -33 59 o 37.590  8.7217  197.604    78.013   137.631    147.175  221.040    92.001   32.316  12.743  39.243  9.7140  -6.927494      16.02289 
1 1 1 -10 -33 60 o 52.969  7.4318  374.558    92.888   322.857    168.150  397.264    111.435  44.210  13.990  53.588  8.8811  -9.377968      16.57064 
1 1 1 -10 -33 61 o 28.746  7.8662  113.485    56.461   170.666    118.050  96.525     64.291   34.055  11.758  26.711  8.6712  7.343748       14.60992 
1 1 1 -10 -33 62 o 36.506  7.0557  178.597    60.237   260.504    120.653  151.403    69.521   41.495  11.556  32.913  8.6075  8.581894       14.40925 
1 1 1 -10 -33 63 f 32.810  7.7270  147.605    60.501   -33.1142   132.680  195.046    67.979   23.242  10.605  37.864  7.6623  -14.62148      13.08317 
1 1 1 -10 -33 64 o 21.824  9.3111  22.175     87.014   -47.4938   256.280  31.253     92.510   29.915  14.022  22.865  9.6718  7.049681       17.03399 
1 1 1 -10 -33 65 o 29.285  10.821  117.594    101.715  519.514    272.413  52.482     109.645  49.763  17.806  25.250  10.597  24.51264       20.72036 
1 1 1 -10 -32 1  o 44.028  5.2343  242.045    54.823   261.017    68.889   209.279    90.534   45.435  6.4283  39.769  9.5105  5.665524       11.47920 
1 1 1 -10 -32 2  o 80.969  4.9939  808.849    97.633   754.601    135.126  868.102    141.223  77.472  7.2735  83.219  7.0605  -5.746727      10.13683 
1 1 1 -10 -32 3  o 146.541 6.3442  2657.01    225.579  2660.85    358.884  2654.50    290.036  144.034 10.338  145.281 8.2619  -1.247040      13.23355 
1 1 1 -10 -32 4  f 51.063  6.8945  328.614    83.239   266.677    160.578  351.372    97.337   44.654  13.598  52.547  7.8769  -7.893490      15.71486 
1 1 1 -10 -32 5  o 102.511 5.8325  1297.24    144.474  1247.55    244.440  1323.92    179.105  98.724  10.359  103.102 7.2047  -4.378075      12.61786 
1 1 1 -10 -32 6  o 45.862  6.9835  265.608    75.259   235.354    158.882  274.360    85.454   42.615  13.611  46.398  7.8719  -3.782372      15.72327 
1 1 1 -10 -32 7  f 101.675 5.8017  1273.53    142.538  1354.47    234.965  1226.41    179.299  103.603 9.4509  99.266  7.4994  4.336632       12.06489 
1 1 1 -10 -32 8  o 112.907 5.9324  1569.16    161.955  1430.32    259.354  1657.91    207.352  106.297 10.180  115.598 7.4319  -9.301758      12.60429 
1 1 1 -10 -32 9  o 78.154  5.9109  753.348    111.262  642.854    189.655  811.332    137.388  70.544  11.474  80.845  7.0750  -10.30076      13.48023 
1 1 1 -10 -32 10 o 165.828 6.5525  3378.69    263.651  3222.52    402.723  3495.82    348.784  160.111 10.423  167.713 8.5998  -7.601334      13.51281 
1 1 1 -10 -32 11 o 190.499 10.611  4553.99    488.542  4553.99    488.542  0.0000     0.0000   190.499 10.611  ?       ?       0.000000       10.61141 
1 1 1 -10 -32 12 o 68.539  10.534  598.922    169.583  598.922    169.583  0.0000     0.0000   68.539  10.534  ?       ?       0.000000       10.53435 
1 1 1 -10 -32 13 f 24.319  10.566  -14.1689   116.012  -14.1689   116.012  0.0000     0.0000   24.319  10.566  ?       ?       0.000000       10.56583 
1 1 1 -10 -32 14 o 95.055  4.5944  1101.78    105.966  1100.39    211.207  1102.26    122.500  93.798  9.4068  94.842  5.3450  -1.044601      10.81928 
1 1 1 -10 -32 15 o 186.367 4.6821  4235.41    211.727  4474.99    303.597  4008.54    295.426  191.099 6.5475  180.814 6.7337  10.28543       9.392127 
1 1 1 -10 -32 16 o 160.688 4.3616  3146.15    170.057  3409.06    244.259  2898.83    236.904  166.939 6.0302  153.872 6.3452  13.06676       8.753562 
1 1 1 -10 -32 17 o 88.215  3.7503  947.062    80.274   991.625    118.866  909.698    108.843  89.945  5.4725  86.174  5.2302  3.770340       7.569914 
1 1 1 -10 -32 18 o 189.939 4.7520  4398.53    219.003  4654.42    313.297  4154.00    306.258  194.933 6.6238  184.093 6.8562  10.83968       9.533240 
1 1 1 -10 -32 19 o 95.132  3.7348  1101.28    86.211   1138.30    126.809  1069.45    117.557  96.404  5.4434  93.472  5.2039  2.931480       7.530690 
1 1 1 -10 -32 20 o 97.896  3.7694  1166.25    89.536   1175.08    130.392  1158.36    123.164  97.945  5.5090  97.288  5.2367  0.6564636      7.600843 
1 1 1 -10 -32 21 o 114.744 3.9231  1602.61    109.226  1733.36    159.911  1488.25    149.548  119.139 5.5317  110.245 5.6091  8.894325       7.877920 
1 1 1 -10 -32 22 o 92.861  6.9574  1062.79    155.624  0.0000     0.0000   1062.79    155.624  ?       ?       92.861  6.9574  0.000000       6.957432 
1 1 1 -10 -32 23 o 93.519  5.2185  1070.56    117.944  0.0000     0.0000   1070.56    117.944  ?       ?       93.519  5.2185  0.000000       5.218544 
1 1 1 -10 -32 24 o 193.155 6.7934  4572.07    318.389  0.0000     0.0000   4572.07    318.389  ?       ?       193.155 6.7934  0.000000       6.793406 
1 1 1 -10 -32 25 o 92.988  5.7032  1060.50    128.059  1032.85    179.696  1089.03    182.543  91.235  8.2050  93.727  8.1065  -2.491699      11.53421 
1 1 1 -10 -32 26 o 161.181 6.2691  3179.93    245.177  3257.80    337.574  3093.01    356.679  162.294 8.6031  157.849 9.3544  4.444839       12.70896 
1 1 1 -10 -32 27 o 186.553 6.3737  4262.20    288.507  4294.90    422.171  4233.54    395.186  186.029 9.3831  185.140 8.7971  0.8895416      12.86197 
1 1 1 -10 -32 28 o 88.971  4.7446  968.272    102.058  1098.35    156.674  872.394    134.510  94.367  6.8901  84.098  6.6460  10.26920       9.572987 
1 1 1 -10 -32 29 o 26.829  5.1521  90.827     32.320   -38.7902   55.306   158.048    39.829   14.827  6.7957  35.690  4.7147  -20.86276      8.271021 
1 1 1 -10 -32 30 o 56.060  3.6211  384.171    48.993   519.529    79.112   299.964    62.398   65.028  5.0536  49.263  5.3038  15.76493       7.325893 
1 1 1 -10 -32 31 o 185.905 4.6096  4217.68    207.931  4083.91    304.848  4334.06    284.339  182.272 6.8929  187.995 6.2334  -5.722809      9.293381 
1 1 1 -10 -32 32 o 159.929 4.2597  3119.62    165.298  3047.72    244.607  3180.05    224.250  157.550 6.3986  161.122 5.7360  -3.572769      8.593294 
1 1 1 -10 -32 33 o 78.587  3.5250  752.185    67.217   689.457    105.633  794.865    87.133   74.759  5.8706  80.568  4.4748  -5.809189      7.381554 
1 1 1 -10 -32 34 o 107.128 3.6782  1398.66    95.611   1347.96    145.806  1436.89    126.638  104.672 5.7631  108.408 4.8144  -3.736107      7.509424 
1 1 1 -10 -32 35 o 91.916  3.5929  1029.75    80.130   976.122    123.901  1068.31    105.059  88.986  5.7695  93.478  4.6319  -4.492157      7.398775 
1 1 1 -10 -32 36 o 44.436  4.0020  242.964    42.687   284.469    71.148   219.621    53.357   47.662  6.3071  41.985  5.3599  5.676334       8.276961 
1 1 1 -10 -32 37 o 98.892  4.4222  1196.18    106.112  1118.91    136.108  1315.92    169.439  95.164  5.9239  102.938 6.8225  -7.773773      9.035425 
1 1 1 -10 -32 38 o 41.809  4.1864  215.831    41.899   281.461    70.318   179.702    52.172   47.358  6.2739  37.766  5.8852  9.591728       8.602146 
1 1 1 -10 -32 39 o 137.421 3.9829  2308.74    132.807  2538.18    201.422  2132.28    176.643  143.480 5.7857  131.598 5.5320  11.88158       8.004809 
1 1 1 -10 -32 40 o 80.914  3.6111  799.702    70.898   872.387    113.655  753.402    90.710   83.932  5.6132  78.191  4.8044  5.740395       7.388525 
1 1 1 -10 -32 41 o 50.258  3.9045  310.869    47.240   365.250    79.203   280.839    58.856   53.972  6.1582  47.486  5.1927  6.485909       8.055264 
1 1 1 -10 -32 42 o 180.725 6.6803  4068.22    292.941  4209.85    430.966  3946.58    399.394  180.878 9.8568  175.561 9.4101  5.316437       13.62739 
1 1 1 -10 -32 43 o 75.070  5.4565  700.070    98.711   617.140    155.328  756.250    127.846  68.815  9.5610  77.524  6.8677  -8.709030      11.77186 
1 1 1 -10 -32 44 o 91.219  5.4645  1033.12    120.391  1083.31    186.959  997.575    157.360  91.978  8.4725  88.807  7.3693  3.170921       11.22892 
1 1 1 -10 -32 45 o 119.099 3.9425  1739.62    113.933  1849.92    177.005  1661.59    148.874  121.965 5.9812  115.898 5.2939  6.067513       7.987488 
1 1 1 -10 -32 46 o 105.672 3.9451  1370.03    101.154  1418.02    160.496  1338.40    130.289  106.451 6.2410  104.033 5.1615  2.418625       8.098804 
1 1 1 -10 -32 47 o 28.836  6.3393  107.716    43.146   70.601     77.047   124.672    52.077   25.534  9.4212  30.900  7.0956  -5.366106      11.79431 
1 1 1 -10 -32 48 o 104.079 4.0037  1330.44    101.109  1236.29    162.203  1390.27    129.305  98.992  6.7941  106.021 5.0264  -7.029022      8.451288 
1 1 1 -10 -32 49 o 31.132  5.8815  124.516    42.800   166.399    81.962   108.812    50.186   35.176  9.4163  28.806  7.2000  6.369570       11.85351 
1 1 1 -10 -32 50 o 77.435  5.3868  748.608    100.582  879.458    179.101  688.328    121.562  81.881  9.1723  73.579  6.8891  8.301247       11.47132 
1 1 1 -10 -32 51 o 88.148  5.3452  970.066    113.784  1197.14    196.716  855.899    139.485  95.943  8.5394  81.903  7.0887  14.03989       11.09821 
1 1 1 -10 -32 52 o 114.606 4.1037  1619.27    114.116  1646.16    184.665  1602.67    145.146  113.873 6.7131  113.430 5.2737  0.4427490      8.536839 
1 1 1 -10 -32 53 o 60.773  4.2341  458.464    62.046   484.694    110.759  446.469    74.902   61.000  7.6515  59.617  5.2309  1.383446       9.268651 
1 1 1 -10 -32 54 o 63.000  4.2344  493.182    64.353   612.424    117.068  441.548    77.036   68.837  7.1115  59.143  5.4288  9.693634       8.946751 
1 1 1 -10 -32 55 o 79.132  4.1340  777.135    79.100   733.919    138.952  797.853    96.210   74.821  7.7670  79.775  4.9955  -4.953979      9.234780 
1 1 1 -10 -32 56 o 35.767  5.7488  165.230    48.201   186.956    92.687   157.175    56.433   36.307  10.135  34.400  6.9992  1.907089       12.31655 
1 1 1 -10 -32 57 o 49.159  5.4578  308.262    64.002   348.012    122.728  293.414    75.009   49.270  10.582  47.371  6.7138  1.899532       12.53182 
1 1 1 -10 -32 58 o 52.795  5.3262  354.936    67.298   358.649    131.371  353.615    78.360   49.393  11.217  52.210  6.3139  -2.817345      12.87219 
1 1 1 -10 -32 59 o 50.918  5.4970  331.775    66.837   284.918    131.815  347.991    77.544   43.163  12.099  51.750  6.3059  -8.587383      13.64385 
1 1 1 -10 -32 60 o 61.679  6.8054  497.937    100.154  654.802    172.674  418.411    122.947  67.276  10.955  54.569  9.6379  12.70679       14.59110 
1 1 1 -10 -32 61 o 49.611  7.6041  329.514    88.616   537.079    157.703  233.732    107.128  60.699  11.117  39.824  10.810  20.87437       15.50624 
1 1 1 -10 -32 62 o 35.514  7.3416  170.000    61.173   79.922     123.982  198.986    70.330   28.153  11.487  38.251  7.8409  -10.09895      13.90818 
1 1 1 -10 -32 63 o 32.179  7.7119  141.529    59.428   50.807     129.581  165.692    66.876   26.836  11.404  34.699  8.0918  -7.862644      13.98311 
1 1 1 -10 -32 64 o 28.761  10.518  109.331    95.732   405.345    267.288  65.772     102.534  45.849  17.414  25.889  10.490  19.95921       20.32935 
1 1 1 -10 -32 65 o 62.546  8.2925  534.468    122.747  672.675    302.959  507.325    134.260  56.240  18.847  59.865  9.5649  -3.624908      21.13516 
1 1 1 -10 -31 1  o 160.105 4.4837  3139.78    174.184  3177.46    252.756  3105.70    240.378  160.225 6.5014  158.525 6.2493  1.700180       9.017895 
1 1 1 -10 -31 2  o 47.690  4.3663  280.498    49.964   299.156    72.471   263.595    68.978   48.861  6.2564  45.788  6.3821  3.073345       8.937202 
1 1 1 -10 -31 3  o 85.088  3.8734  883.675    79.969   818.717    117.477  939.769    109.167  81.349  5.9938  87.393  5.1712  -6.044273      7.916241 
1 1 1 -10 -31 4  o 64.021  3.9074  501.906    60.407   475.802    88.763   524.424    82.443   61.938  5.9806  65.208  5.2552  -3.269825      7.961449 
1 1 1 -10 -31 5  o 45.371  4.3362  253.599    47.156   276.943    69.564   233.752    64.142   47.071  6.2449  43.167  6.3103  3.904377       8.877985 
1 1 1 -10 -31 6  o 35.800  5.0927  159.823    42.991   162.570    61.961   157.274    59.699   35.663  7.4026  35.092  7.2510  0.5711365      10.36224 
1 1 1 -10 -31 7  o 108.106 3.9204  1424.22    102.836  1425.99    149.378  1422.62    141.783  107.752 5.7341  107.688 5.4438  0.6309509E-01  7.906630 
1 1 1 -10 -31 8  o 99.900  5.0564  1222.24    122.167  1183.73    169.620  1263.77    176.104  97.839  7.1954  101.101 7.2264  -3.262260      10.19780 
1 1 1 -10 -31 9  o 169.604 6.5440  3527.68    269.305  3566.13    409.315  3498.33    357.609  169.036 10.024  167.952 8.8059  1.084045       13.34285 
1 1 1 -10 -31 10 o 236.060 11.770  6983.65    674.175  6983.65    674.175  0.0000     0.0000   236.060 11.770  ?       ?       0.000000       11.77025 
1 1 1 -10 -31 11 o 33.019  12.252  108.788    130.671  108.788    130.671  0.0000     0.0000   33.019  12.252  ?       ?       0.000000       12.25209 
1 1 1 -10 -31 12 o 83.682  9.7691  878.068    194.627  878.068    194.627  0.0000     0.0000   83.682  9.7691  ?       ?       0.000000       9.769139 
1 1 1 -10 -31 13 o 86.909  5.7008  926.454    119.551  852.775    195.073  970.773    151.293  82.432  9.9545  88.714  7.0877  -6.281815      12.21995 
1 1 1 -10 -31 14 o 141.416 5.9074  2443.36    202.702  2725.27    313.496  2240.82    265.721  148.489 8.7396  134.762 8.1649  13.72713       11.96019 
1 1 1 -10 -31 15 o 176.215 6.4941  3798.59    277.670  4039.07    416.960  3606.96    372.208  180.605 9.5487  170.835 9.0112  9.769562       13.12937 
1 1 1 -10 -31 16 o 118.698 4.5877  1716.26    132.131  1967.74    256.016  1624.95    154.264  126.227 8.4070  115.394 5.5096  10.83316       10.05154 
1 1 1 -10 -31 17 o 118.837 3.8961  1718.26    112.343  1821.18    163.608  1626.44    154.533  122.167 5.5193  115.451 5.5164  6.715858       7.803481 
1 1 1 -10 -31 18 o 42.663  4.3783  223.917    44.680   283.698    70.229   183.267    57.912   47.794  6.2022  38.199  6.4797  9.594200       8.969573 
1 1 1 -10 -31 19 o 40.172  4.4157  198.842    42.331   211.821    66.337   189.927    54.979   41.057  6.9038  38.991  6.0039  2.066406       9.149306 
1 1 1 -10 -31 20 o 116.929 3.8817  1663.38    110.131  1699.98    160.540  1630.84    151.363  118.030 5.6057  115.629 5.3950  2.400406       7.780052 
1 1 1 -10 -31 21 o 111.105 7.2187  1518.30    193.550  0.0000     0.0000   1518.30    193.550  ?       ?       111.105 7.2187  0.000000       7.218669 
1 1 1 -10 -31 22 o 39.714  8.0389  200.454    74.806   0.0000     0.0000   200.454    74.806   ?       ?       39.714  8.0389  0.000000       8.038884 
1 1 1 -10 -31 23 o 39.755  6.3883  197.966    59.536   0.0000     0.0000   197.966    59.536   ?       ?       39.755  6.3883  0.000000       6.388313 
1 1 1 -10 -31 24 o 120.618 4.0134  1770.44    117.460  2012.78    172.444  1560.68    160.432  128.432 5.5336  112.901 5.8767  15.53126       8.071979 
1 1 1 -10 -31 25 o 119.842 3.8884  1747.51    113.069  1805.39    161.478  1691.83    158.375  121.638 5.4712  117.741 5.5436  3.896614       7.788810 
1 1 1 -10 -31 26 o 176.799 6.1455  3820.37    263.633  3895.53    386.382  3754.90    360.616  177.566 8.9973  174.689 8.5078  2.877838       12.38280 
1 1 1 -10 -31 27 o 136.221 5.3729  2264.31    177.588  2351.14    264.978  2193.51    239.279  138.117 7.9402  133.526 7.4146  4.590240       10.86381 
1 1 1 -10 -31 28 o 75.598  4.7295  699.250    86.317   721.709    134.388  683.478    112.618  76.362  7.3436  74.494  6.2893  1.868233       9.668701 
1 1 1 -10 -31 29 o 75.583  4.7757  699.209    87.134   766.825    138.197  654.592    112.259  78.723  7.3187  72.858  6.4155  5.864639       9.732574 
1 1 1 -10 -31 30 o 27.381  5.7606  95.041     37.059   130.944    76.134   83.893     42.424   32.172  9.2557  25.699  6.7255  6.473160       11.44118 
1 1 1 -10 -31 31 f 225.508 5.2109  6209.29    285.127  6034.97    414.159  6366.34    393.123  221.482 7.7066  227.715 7.1150  -6.232513      10.48879 
1 1 1 -10 -31 32 o 151.175 4.1047  2784.42    150.566  2874.05    223.630  2710.10    203.636  153.218 6.0153  148.866 5.6376  4.352371       8.244163 
1 1 1 -10 -31 33 o 96.729  3.6326  1139.17    85.257   953.223    131.040  1275.66    112.269  87.979  6.1777  102.260 4.5247  -14.28102      7.657452 
1 1 1 -10 -31 34 o 103.796 3.6431  1312.07    91.751   1272.03    140.458  1341.88    121.176  101.760 5.7117  104.826 4.7642  -3.065384      7.437782 
1 1 1 -10 -31 35 o 33.345  4.7450  138.507    37.308   181.340    62.354   114.622    46.562   37.782  7.0612  29.965  6.5838  7.817093       9.654367 
1 1 1 -10 -31 36 o 47.193  4.0342  273.639    45.751   160.591    73.973   343.669    58.222   35.252  8.7011  52.841  4.5865  -17.58924      9.835860 
1 1 1 -10 -31 37 o 60.587  4.5337  451.162    66.167   419.773    87.200   493.763    101.586  58.077  6.2885  62.926  6.7592  -4.849552      9.232108 
1 1 1 -10 -31 38 o 86.083  3.5791  903.611    74.757   998.415    117.978  840.006    96.634   90.032  5.4259  82.687  4.8376  7.344879       7.269287 
1 1 1 -10 -31 39 o 52.325  3.8474  336.063    48.505   333.271    80.882   337.631    60.614   51.526  6.6226  52.274  4.8336  -0.7471924     8.198941 
1 1 1 -10 -31 40 o 157.354 4.2733  3029.73    163.157  3152.05    245.369  2932.77    218.447  159.688 6.3326  154.248 5.8366  5.439789       8.612088 
1 1 1 -10 -31 41 o 58.614  3.8375  421.677    54.276   433.836    89.190   414.526    68.399   58.881  6.3429  57.898  4.9153  0.9827080      8.024442 
1 1 1 -10 -31 42 f 106.497 3.7820  1386.74    97.729   1495.24    152.354  1310.88    127.392  109.891 5.7337  103.220 5.0864  6.671486       7.664674 
1 1 1 -10 -31 43 o 98.504  5.4678  1201.28    130.174  1147.47    199.890  1240.90    171.535  94.781  8.7918  99.419  7.1587  -4.638420      11.33767 
1 1 1 -10 -31 44 o 58.210  5.6680  423.002    79.040   477.475    127.387  388.905    100.786  60.705  8.9139  55.121  7.7497  5.584499       11.81169 
1 1 1 -10 -31 45 f 71.093  5.4778  628.720    93.764   680.627    148.699  594.459    120.808  72.730  8.5921  68.428  7.3936  4.302353       11.33536 
1 1 1 -10 -31 46 o 51.610  4.2227  329.199    52.416   316.557    87.563   336.259    65.436   49.642  7.5038  51.903  5.2689  -2.261898      9.168851 
1 1 1 -10 -31 47 o 18.037  6.6430  32.987     38.279   75.154     68.267   13.648     46.231   25.400  8.9320  17.002  6.9849  8.397953       11.33883 
1 1 1 -10 -31 48 o 77.180  3.9437  732.720    73.608   748.016    123.294  724.249    91.754   77.024  6.6628  76.423  4.9752  0.6003342      8.315318 
1 1 1 -10 -31 49 o 48.296  4.4764  289.617    51.861   261.159    93.964   302.084    62.192   44.348  9.0388  49.111  5.3032  -4.763493      10.47972 
1 1 1 -10 -31 50 f 21.120  7.5323  49.822     48.711   -112.1969  105.380  93.846     54.932   18.470  8.7582  26.866  7.9006  -8.396713      11.79517 
1 1 1 -10 -31 51 o 53.725  5.8892  364.299    75.513   455.897    144.558  329.925    88.555   57.891  10.685  50.518  7.4479  7.373142       13.02448 
1 1 1 -10 -31 52 o 80.253  5.6028  807.017    108.416  852.363    193.276  786.198    130.960  79.679  10.233  78.545  6.9430  1.134155       12.36649 
1 1 1 -10 -31 53 o 49.704  4.6548  308.526    55.484   359.854    102.317  287.145    66.036   52.198  8.3606  47.546  5.8473  4.652527       10.20248 
1 1 1 -10 -31 54 o 67.045  4.1778  557.336    67.627   605.891    121.231  535.401    81.483   68.391  7.4248  65.331  5.1828  3.060600       9.054783 
1 1 1 -10 -31 55 o 50.408  4.6763  318.336    56.544   227.053    106.897  353.798    66.628   39.991  10.774  52.950  5.2554  -12.95827      11.98750 
1 1 1 -10 -31 56 o 49.986  4.7654  313.996    57.098   403.180    108.129  279.512    67.236   54.902  8.3827  46.629  6.0879  8.272751       10.36013 
1 1 1 -10 -31 57 o 16.937  7.0810  11.732     48.675   -106.1986  104.508  44.401     55.006   18.198  8.6563  20.794  7.8991  -2.595833      11.71870 
1 1 1 -10 -31 58 o 27.016  7.8990  98.561     55.050   77.539     103.966  106.752    64.894   27.046  10.696  28.040  8.6634  -0.9936619     13.76404 
1 1 1 -10 -31 59 o 79.221  4.7115  787.769    90.157   795.694    163.829  784.327    107.978  76.374  9.0143  78.437  5.7128  -2.062508      10.67206 
1 1 1 -10 -31 60 o 37.602  8.8034  196.864    78.903   108.608    148.441  231.619    93.152   30.984  12.598  40.397  9.6380  -9.412695      15.86171 
1 1 1 -10 -31 61 o 26.045  9.2681  86.182     73.709   193.057    140.551  45.638     86.568   36.037  12.801  23.534  9.6003  12.50347       16.00086 
1 1 1 -10 -31 62 o 26.623  8.1728  95.589     57.858   78.685     126.113  100.095    65.115   28.295  11.570  27.244  8.7147  1.050802       14.48485 
1 1 1 -10 -31 63 o 29.407  8.1321  118.628    59.973   -42.5663   127.660  164.280    67.937   22.625  10.353  34.552  8.2225  -11.92634      13.22119 
1 1 1 -10 -31 64 o 31.169  10.928  135.388    102.148  -173.3023  267.900  187.901    110.495  28.221  13.541  35.627  11.348  -7.406240      17.66735 
1 1 1 -10 -31 65 f 63.583  8.7641  556.382    131.618  676.697    330.333  533.677    143.501  55.386  19.630  61.205  10.009  -5.818691      22.03414 
1 1 1 -10 -30 1  o 62.067  3.9877  472.178    59.736   416.033    87.739   520.692    81.558   57.770  6.3650  64.964  5.2181  -7.194107      8.230543 
1 1 1 -10 -30 2  o 12.869  5.4454  1.3787     29.343   17.392     39.720   -17.8619   43.538   16.518  6.5859  14.019  6.2635  2.499472       9.088778 
1 1 1 -10 -30 3  o 201.027 4.9715  4942.35    242.498  5060.94    348.756  4831.34    337.414  202.586 7.0949  197.969 7.0243  4.617004       9.983910 
1 1 1 -10 -30 4  o 99.372  3.8469  1203.32    92.756   1212.72    135.845  1195.11    126.959  99.349  5.6587  98.694  5.3212  0.6542206      7.767682 
1 1 1 -10 -30 5  f 137.229 4.1097  2295.28    136.842  2353.99    198.536  2242.15    188.873  138.634 5.9021  135.333 5.7518  3.301254       8.241226 
1 1 1 -10 -30 6  f 218.880 5.2117  5852.23    276.789  5757.72    396.034  5942.47    386.999  216.298 7.5460  219.860 7.2544  -3.561096      10.46747 
1 1 1 -10 -30 7  f 81.372  3.8678  806.128    76.366   738.995    109.395  869.940    106.654  77.520  5.8592  84.249  5.2433  -6.728836      7.862729 
1 1 1 -10 -30 8  o 241.738 5.5508  7137.51    325.587  6982.58    464.208  7287.53    456.781  238.229 8.0307  243.499 7.7312  -5.270645      11.14737 
1 1 1 -10 -30 9  o 134.683 5.8772  2216.46    192.065  2216.46    192.065  0.0000     0.0000   134.683 5.8772  ?       ?       0.000000       5.877213 
1 1 1 -10 -30 10 o 90.412  5.5307  1001.37    120.746  1001.37    120.746  0.0000     0.0000   90.412  5.5307  ?       ?       0.000000       5.530677 
1 1 1 -10 -30 11 o 20.414  7.2206  44.425     44.675   44.425     44.675   0.0000     0.0000   20.414  7.2206  ?       ?       0.000000       7.220636 
1 1 1 -10 -30 12 o 132.199 5.9125  2133.88    189.654  2152.16    292.465  2120.62    249.136  131.862 9.1985  131.240 7.8598  0.6226654      12.09915 
1 1 1 -10 -30 13 o 98.601  5.5386  1189.63    131.972  1206.84    218.162  1179.70    165.736  98.578  9.2282  97.934  7.0212  0.6442108      11.59554 
1 1 1 -10 -30 14 o 6.7093  3.3310  -50.9190   20.819   -261.5204  106.072  -42.4814   21.232   15.035  7.4735  7.2473  3.5530  7.787437       8.275093 
1 1 1 -10 -30 15 o 92.965  5.4837  1057.53    123.148  1262.57    203.055  938.238    154.883  101.078 8.3541  87.230  7.3871  13.84837       11.15171 
1 1 1 -10 -30 16 o 161.719 6.1340  3193.07    240.694  3688.12    361.489  2798.79    322.606  173.276 8.5979  150.638 8.8653  22.63834       12.34978 
1 1 1 -10 -30 17 o 42.921  6.8768  230.772    69.199   422.100    138.313  166.892    79.921   57.659  10.262  36.145  9.1145  21.51413       13.72558 
1 1 1 -10 -30 18 o 210.111 5.7555  5385.32    293.427  6748.73    526.495  4771.04    353.400  234.193 9.2652  197.419 7.3776  36.77464       11.84367 
1 1 1 -10 -30 19 o 167.702 4.4004  3422.89    179.059  3766.06    257.141  3099.85    249.488  175.661 6.0330  159.300 6.4546  16.36159       8.835088 
1 1 1 -10 -30 20 o 29.988  6.9661  114.349    49.719   0.0000     0.0000   114.349    49.719   ?       ?       29.988  6.9661  0.000000       6.966087 
1 1 1 -10 -30 21 o 166.623 6.1887  3389.50    250.207  0.0000     0.0000   3389.50    250.207  ?       ?       166.623 6.1887  0.000000       6.188732 
1 1 1 -10 -30 22 o 202.659 6.9415  5022.45    341.339  0.0000     0.0000   5022.45    341.339  ?       ?       202.659 6.9415  0.000000       6.941548 
1 1 1 -10 -30 23 o 51.357  4.2521  323.129    52.510   340.382    78.825   309.366    70.406   52.422  6.3248  50.009  5.9170  2.412891       8.661067 
1 1 1 -10 -30 24 o 152.152 4.2040  2816.95    155.206  2685.61    220.952  2944.87    218.066  148.314 6.1398  155.363 5.7847  -7.049026      8.435583 
1 1 1 -10 -30 25 o 83.379  3.4551  845.141    69.901   873.883    107.723  824.237    91.869   84.508  5.2799  82.146  4.6280  2.361824       7.021112 
1 1 1 -10 -30 26 o 6.8234  3.3968  -56.9805   22.251   -122.9114  43.967   -34.2786   25.799   9.2781  4.6427  8.9677  4.2755  0.3103790      6.311490 
1 1 1 -10 -30 27 o 101.386 4.9413  1252.47    121.558  1089.07    185.837  1374.67    160.706  93.833  8.2460  105.894 6.2827  -12.06098      10.36668 
1 1 1 -10 -30 28 o 119.704 5.1169  1746.73    148.620  1877.47    225.149  1645.77    197.849  123.535 7.5475  115.732 7.0796  7.803490       10.34823 
1 1 1 -10 -30 29 f 16.372  6.5038  17.120     38.607   55.397     67.032   -1.8793    47.226   23.832  8.7887  15.992  6.8422  7.839897       11.13806 
1 1 1 -10 -30 30 o 85.110  4.8237  885.614    99.205   866.301    154.306  899.221    129.520  83.678  7.6858  85.536  6.2845  -1.858345      9.928059 
1 1 1 -10 -30 31 o 135.066 3.8953  2220.14    127.659  2264.36    190.627  2184.19    171.896  136.152 5.7703  133.792 5.2951  2.360046       7.831608 
1 1 1 -10 -30 32 o 228.717 5.2649  6384.70    292.183  6297.26    424.422  6463.47    402.839  226.364 7.7273  229.514 7.2337  -3.149857      10.58474 
1 1 1 -10 -30 33 o 76.753  3.5184  716.747    65.524   769.798    102.863  680.522    85.000   79.211  5.3839  74.555  4.7231  4.655937       7.161973 
1 1 1 -10 -30 34 o 214.782 5.0089  5631.90    261.038  5905.57    381.043  5389.88    358.329  219.223 7.1635  209.474 7.0500  9.748337       10.05076 
1 1 1 -10 -30 35 o 133.595 3.8754  2174.13    125.623  2485.99    189.952  1931.70    167.478  142.564 5.4912  125.669 5.4924  16.89445       7.766615 
1 1 1 -10 -30 36 o 94.890  3.6189  1096.62    83.321   1079.32    129.009  1109.01    109.137  93.702  5.7013  95.295  4.7199  -1.592918      7.401531 
1 1 1 -10 -30 37 o 185.016 4.5932  4181.23    206.199  4323.00    304.650  4061.39    280.111  187.412 6.6995  181.784 6.3505  5.627274       9.231038 
1 1 1 -10 -30 38 o 20.615  6.1122  52.987     32.764   55.738     55.706   51.532     40.512   22.691  8.0590  20.891  6.8882  1.799856       10.60166 
1 1 1 -10 -30 39 o 52.716  3.8623  340.875    49.058   316.652    81.429   354.677    61.465   50.194  6.8661  53.626  4.7737  -3.432934      8.362470 
1 1 1 -10 -30 40 o 83.130  3.6513  843.134    73.649   808.568    116.981  865.832    94.795   80.810  6.0091  83.966  4.6713  -3.156029      7.611196 
1 1 1 -10 -30 41 o 16.796  6.1783  27.887     33.097   62.340     57.359   10.692     40.523   23.482  8.1912  15.908  6.5379  7.573765       10.48047 
1 1 1 -10 -30 42 o 108.622 3.8117  1441.84    100.462  1457.87    154.997  1430.22    131.926  108.524 5.9084  107.893 5.0393  0.6311188      7.765603 
1 1 1 -10 -30 43 o 159.271 6.2622  3142.80    242.008  3172.08    358.737  3118.34    327.849  157.722 9.4168  156.978 8.6407  0.7445984      12.78037 
1 1 1 -10 -30 44 o 80.704  5.4099  806.966    105.324  758.293    164.483  840.793    137.122  76.833  8.9930  81.833  6.9723  -5.000221      11.37923 
1 1 1 -10 -30 45 o 99.965  5.4768  1238.20    132.336  1331.20    203.692  1170.28    174.081  102.325 8.2749  96.297  7.5097  6.027664       11.17451 
1 1 1 -10 -30 46 o 38.231  4.6466  182.321    42.217   208.073    73.373   169.577    51.617   40.000  7.8402  36.509  6.0378  3.490829       9.895632 
1 1 1 -10 -30 47 o 17.211  6.4937  27.623     37.012   148.423    66.100   -27.5528   44.673   33.587  8.1856  13.473  6.1496  20.11423       10.23820 
1 1 1 -10 -30 48 f 17.533  6.4716  30.843     36.362   28.622     72.303   31.594     42.069   21.620  8.7914  18.329  6.9212  3.290390       11.18893 
1 1 1 -10 -30 49 o 38.838  5.0160  189.209    46.164   109.442    85.829   221.679    54.760   29.640  10.031  41.954  5.5127  -12.31429      11.44601 
1 1 1 -10 -30 50 o 36.113  7.1518  169.488    60.451   155.613    121.278  174.075    69.731   34.728  11.922  36.333  8.1147  -1.604961      14.42176 
1 1 1 -10 -30 51 o 34.272  7.6224  154.411    61.749   255.183    121.404  119.243    71.718   42.897  11.450  30.121  9.0688  12.77632       14.60637 
1 1 1 -10 -30 52 o 22.682  7.7369  61.695     51.064   -66.8154   103.050  103.521    58.790   19.819  9.1533  28.078  8.1495  -8.259579      12.25551 
1 1 1 -10 -30 53 o 17.922  6.6161  32.966     38.007   99.819     78.526   12.515     43.433   28.158  9.5945  16.387  6.7556  11.77124       11.73424 
1 1 1 -10 -30 54 o 65.223  4.2158  527.253    66.361   529.807    120.181  526.132    79.596   63.724  7.9452  64.839  5.1005  -1.114155      9.441472 
1 1 1 -10 -30 55 o 58.400  4.4262  424.666    62.254   554.807    117.695  374.110    73.356   65.304  7.5679  54.352  5.6446  10.95168       9.441123 
1 1 1 -10 -30 56 o 81.535  4.1852  824.730    82.519   940.400    149.131  773.687    99.067   85.237  7.2805  78.478  5.2326  6.759331       8.965788 
1 1 1 -10 -30 57 o 20.264  7.1036  48.442     43.164   254.872    96.064   -3.7759    48.316   42.848  9.4901  15.626  6.8039  27.22207       11.67708 
1 1 1 -10 -30 58 o 26.032  7.9892  90.297     55.292   86.635     118.580  91.314     62.503   28.567  11.383  26.303  8.5503  2.264610       14.23637 
1 1 1 -10 -30 59 o 21.944  7.9936  55.628     55.210   215.648    123.099  15.334     61.772   38.060  11.961  18.907  7.9453  19.15313       14.35906 
1 1 1 -10 -30 60 o 26.082  9.1171  87.181     71.077   96.946     149.588  84.334     80.778   30.540  12.558  26.261  9.6533  4.279646       15.83913 
1 1 1 -10 -30 61 o 22.538  8.9476  46.750     73.024   224.254    149.266  -9.0991    83.727   38.344  13.223  19.871  8.7931  18.47285       15.87969 
1 1 1 -10 -30 62 o 16.087  7.0392  -5.1065    52.291   0.0378     127.488  -6.1469    57.336   24.458  10.835  16.750  7.3492  7.707808       13.09233 
1 1 1 -10 -30 63 o 15.595  6.8614  -7.5531    50.280   60.592     124.388  -20.8620   54.971   27.235  11.347  15.425  6.9530  11.80927       13.30795 
1 1 1 -10 -30 64 o 25.519  10.191  64.752     95.253   421.188    291.576  22.167     100.783  46.926  18.097  23.256  9.9740  23.66930       20.66378 
1 1 1 -10 -30 65 o 25.926  9.9403  78.053     87.613   -70.3379   300.427  91.846     91.594   31.556  14.911  27.228  10.227  4.327698       18.08143 
1 1 1 -10 -29 1  o 90.255  4.2191  993.859    92.396   953.920    151.670  1017.43    116.511  87.675  7.1929  91.021  5.2984  -3.346283      8.933649 
1 1 1 -10 -29 2  o 309.493 6.7047  11771.53   503.490  11853.77   718.132  11692.01   706.106  308.510 9.5934  306.478 9.4952  2.031464       13.49787 
1 1 1 -10 -29 3  o 119.168 4.0166  1730.18    116.140  1737.75    168.798  1723.38    160.043  119.149 5.8387  118.705 5.5565  0.4439926      8.060109 
1 1 1 -10 -29 4  o 59.369  3.9678  431.133    56.829   487.532    83.958   383.445    77.202   62.920  5.5565  55.701  5.7970  7.218330       8.029943 
1 1 1 -10 -29 5  o 76.778  3.8231  717.464    71.223   662.071    103.248  767.753    98.376   73.369  5.8483  79.155  5.1501  -5.785896      7.792700 
1 1 1 -10 -29 6  o 183.620 4.7300  4109.28    210.737  4015.79    301.965  4198.05    294.241  181.059 6.8734  185.205 6.5477  -4.145508      9.492912 
1 1 1 -10 -29 7  o 156.782 5.0190  2996.66    190.933  2758.02    238.492  3422.64    318.635  150.154 6.5459  166.966 7.8651  -16.81194      10.23271 
1 1 1 -10 -29 8  o 65.194  5.7513  522.745    90.046   522.745    90.046   0.0000     0.0000   65.194  5.7513  ?       ?       0.000000       5.751292 
1 1 1 -10 -29 9  o 174.042 6.4803  3702.08    273.662  3702.08    273.662  0.0000     0.0000   174.042 6.4803  ?       ?       0.000000       6.480304 
1 1 1 -10 -29 10 o 60.130  4.8806  443.297    70.594   431.620    84.058   471.243    130.039  59.178  5.9340  61.276  9.0157  -2.097538      10.79329 
1 1 1 -10 -29 11 o 51.835  4.4021  329.352    54.843   363.993    77.897   295.303    77.228   54.286  6.0149  48.708  6.7129  5.577995       9.013391 
1 1 1 -10 -29 12 o 172.330 4.4639  3614.47    186.656  3816.10    267.857  3424.13    260.251  176.801 6.2439  167.447 6.4055  9.353363       8.945161 
1 1 1 -10 -29 13 o 257.779 5.7407  8103.64    359.069  8713.32    511.233  7510.08    504.434  266.684 7.9006  247.429 8.4021  19.25520       11.53320 
1 1 1 -10 -29 14 o 217.242 7.2205  5771.91    380.604  6360.70    559.266  5263.98    519.448  227.167 10.146  206.324 10.410  20.84297       14.53642 
1 1 1 -10 -29 15 o 151.206 5.9886  2788.99    219.714  3038.09    332.582  2596.09    292.675  157.090 8.7603  145.280 8.3375  11.81030       12.09368 
1 1 1 -10 -29 16 o 101.240 5.4314  1252.57    132.935  1543.04    213.582  1068.89    169.843  111.976 7.9119  93.159  7.5795  18.81684       10.95659 
1 1 1 -10 -29 17 o 70.830  5.5066  615.069    93.894   711.528    163.179  567.323    114.804  75.594  9.0779  67.767  7.0868  7.827065       11.51654 
1 1 1 -10 -29 18 o 129.441 5.6137  2042.31    176.313  2427.54    269.906  1755.56    232.864  140.574 7.9456  119.445 8.0823  21.12867       11.33382 
1 1 1 -10 -29 19 o 87.030  6.8244  930.853    142.957  0.0000     0.0000   930.853    142.957  ?       ?       87.030  6.8244  0.000000       6.824432 
1 1 1 -10 -29 20 o 86.456  4.9939  913.203    104.314  0.0000     0.0000   913.203    104.314  ?       ?       86.456  4.9939  0.000000       4.993865 
1 1 1 -10 -29 21 o 124.611 5.3743  1891.97    162.497  0.0000     0.0000   1891.97    162.497  ?       ?       124.611 5.3743  0.000000       5.374348 
1 1 1 -10 -29 22 o 72.516  3.7744  641.063    66.182   671.037    99.569   617.339    88.582   73.991  5.5872  71.004  5.1772  2.986237       7.617153 
1 1 1 -10 -29 23 o 100.896 3.6679  1237.56    89.796   1222.83    128.547  1251.60    125.490  100.043 5.3146  101.241 5.1251  -1.197655      7.383227 
1 1 1 -10 -29 24 f 138.045 3.8601  2317.19    129.297  2340.39    191.130  2297.62    175.567  138.551 5.6853  137.327 5.2689  1.224442       7.751414 
1 1 1 -10 -29 25 o 207.112 4.8517  5223.00    243.819  5360.37    353.848  5098.82    336.435  209.417 6.9637  204.282 6.7875  5.134888       9.724360 
1 1 1 -10 -29 26 o 249.477 5.5125  7586.81    333.689  7868.44    481.505  7326.57    462.862  253.455 7.8295  244.581 7.7994  8.873932       11.05137 
1 1 1 -10 -29 27 o 172.746 4.3653  3631.38    182.975  3612.72    268.344  3647.59    250.145  171.997 6.4299  172.904 5.9624  -0.9075623     8.768950 
1 1 1 -10 -29 28 f 40.164  5.9375  201.016    56.119   265.440    92.608   163.629    70.547   45.766  8.6567  35.821  8.2822  9.945015       11.98049 
1 1 1 -10 -29 29 o 64.612  4.8814  511.376    75.964   638.648    119.275  424.524    98.531   71.941  6.9183  58.490  7.0874  13.45061       9.904235 
1 1 1 -10 -29 30 o 171.290 6.1161  3582.85    254.198  3469.09    375.628  3678.97    345.267  167.600 9.2728  173.120 8.2195  -5.520538      12.39132 
1 1 1 -10 -29 31 o 63.762  4.9417  498.375    75.858   514.133    122.015  488.447    96.850   64.246  8.0004  62.893  6.4372  1.353336       10.26857 
1 1 1 -10 -29 32 o 143.511 4.0233  2506.41    140.097  2502.66    208.613  2509.49    189.079  143.132 6.0068  143.417 5.4335  -0.2847900     8.099639 
1 1 1 -10 -29 33 f 186.211 4.6084  4224.94    208.219  4190.82    305.696  4254.46    284.389  184.987 6.8106  186.516 6.2840  -1.529099      9.266713 
1 1 1 -10 -29 34 o 66.005  3.6277  531.657    57.877   532.088    91.594   531.371    74.674   65.734  5.8022  65.856  4.7041  -0.1225967     7.469564 
1 1 1 -10 -29 35 o 40.040  4.3193  197.610    41.299   280.724    70.468   154.126    50.970   47.482  6.2698  34.970  6.2357  12.51186       8.842748 
1 1 1 -10 -29 36 o 128.892 3.9290  2023.62    122.877  1859.36    185.570  2151.87    163.974  123.023 6.2370  132.734 5.0913  -9.710304      8.051238 
1 1 1 -10 -29 37 o 291.610 6.3088  10434.01   446.391  10591.64   645.271  10289.33   618.185  292.030 9.1065  288.021 8.8457  4.009399       12.69541 
1 1 1 -10 -29 38 o 83.606  3.6020  851.497    73.072   802.733    114.826  884.685    94.728   80.692  5.9057  84.987  4.6109  -4.295311      7.492529 
1 1 1 -10 -29 39 o 101.423 3.7247  1253.98    91.663   1169.34    141.449  1315.26    120.353  97.387  6.0154  103.711 4.7827  -6.323402      7.684974 
1 1 1 -10 -29 40 o 56.799  3.8962  395.481    53.371   366.828    86.457   413.123    67.841   54.128  6.7280  57.892  4.8749  -3.764313      8.308467 
1 1 1 -10 -29 41 o 132.156 4.0212  2133.25    128.944  2110.64    196.420  2150.37    170.934  130.852 6.1864  132.350 5.3228  -1.497498      8.161123 
1 1 1 -10 -29 42 o 53.224  4.1441  348.421    53.096   335.340    86.113   356.445    67.442   51.541  7.0722  53.619  5.2512  -2.078270      8.808613 
1 1 1 -10 -29 43 o 31.049  5.5900  122.247    40.565   112.791    69.199   127.198    50.070   29.694  8.9009  31.448  6.7628  -1.753391      11.17857 
1 1 1 -10 -29 44 o 67.418  5.5082  563.957    89.318   619.883    140.134  525.693    115.913  69.700  8.4594  64.444  7.5562  5.256058       11.34273 
1 1 1 -10 -29 45 o 74.814  5.4648  694.215    98.516   748.177    153.462  656.388    128.487  76.588  8.3957  72.062  7.4562  4.526115       11.22863 
1 1 1 -10 -29 46 o 34.710  7.1548  155.859    58.255   102.597    99.237   183.865    71.959   29.866  10.740  37.508  8.1404  -7.642344      13.47678 
1 1 1 -10 -29 47 o 57.398  4.0079  405.712    55.468   469.868    94.348   371.826    68.570   61.109  6.4610  54.646  5.2355  6.462536       8.315959 
1 1 1 -10 -29 48 o 25.996  6.5628  87.525     41.401   70.973     76.423   94.401     49.256   25.615  9.3935  26.968  7.3337  -1.353548      11.91722 
1 1 1 -10 -29 49 o 19.755  6.6907  45.783     38.185   96.265     73.211   26.918     44.754   27.849  9.2636  18.148  7.0646  9.700857       11.65005 
1 1 1 -10 -29 50 o 58.295  4.3129  419.952    60.572   385.804    108.868  435.262    72.897   54.447  8.5200  59.133  5.1315  -4.686180      9.945983 
1 1 1 -10 -29 51 o 17.648  7.1499  18.515     47.623   -35.2235   106.602  31.914     53.230   21.667  9.7321  19.678  7.6923  1.988955       12.40510 
1 1 1 -10 -29 52 o 16.506  6.9615  6.1236     47.701   130.699    108.261  -23.8884   53.138   32.220  11.253  15.158  6.8339  17.06200       13.16522 
1 1 1 -10 -29 53 o 57.933  4.3996  416.264    61.382   434.636    113.931  408.750    72.861   57.630  8.3941  57.119  5.3182  0.5109558      9.937053 
1 1 1 -10 -29 54 f 88.165  4.0576  957.612    86.802   1079.06    151.126  897.824    106.037  92.104  6.8106  84.818  5.1771  7.286385       8.554946 
1 1 1 -10 -29 55 f 46.914  4.9357  276.386    55.342   358.905    107.280  246.463    64.602   51.810  8.8518  43.825  6.2523  7.984173       10.83723 
1 1 1 -10 -29 56 o 62.162  4.3641  480.739    65.407   606.867    120.676  428.273    77.831   68.391  7.3895  58.194  5.5804  10.19722       9.259906 
1 1 1 -10 -29 57 o 57.636  4.5709  415.243    63.398   638.318    121.888  332.510    74.229   70.092  7.2727  50.928  6.1301  19.16473       9.511590 
1 1 1 -10 -29 58 o 23.620  7.9864  70.249     54.406   58.182     122.119  73.238     60.770   27.174  11.276  24.279  8.4334  2.895084       14.08080 
1 1 1 -10 -29 59 o 31.897  8.0157  138.604    61.964   183.266    129.202  125.263    70.614   35.614  12.301  30.192  8.9782  5.422518       15.22901 
1 1 1 -10 -29 60 o 18.058  7.7761  3.7947     61.719   -81.9149   140.313  24.356     68.724   22.466  10.480  20.403  8.4619  2.063379       13.46945 
1 1 1 -10 -29 61 o 21.094  8.6419  30.991     70.523   70.014     146.881  19.300     80.397   29.128  12.247  21.264  9.0066  7.864241       15.20194 
1 1 1 -10 -29 62 o 38.811  7.2706  200.572    65.952   81.832     141.907  233.286    74.485   29.502  12.191  41.754  7.6334  -12.25197      14.38391 
1 1 1 -10 -29 63 f 62.550  5.2788  495.286    79.370   630.560    162.211  452.705    91.008   67.080  10.295  59.188  6.4409  7.891537       12.14375 
1 1 1 -10 -29 64 o 11.892  5.7439  -73.8742   50.144   -217.1055  131.836  -49.6483   54.219   18.026  8.8404  13.689  6.4268  4.337437       10.92960 
1 1 1 -10 -29 65 o 53.357  9.3976  397.118    117.223  611.550    344.025  368.952    124.685  53.118  19.846  50.585  10.502  2.532532       22.45366 
1 1 1 -10 -28 1  o 223.072 5.2850  6080.25    286.061  6011.91    410.238  6144.92    399.094  220.957 7.6518  223.512 7.3589  -2.554962      10.61619 
1 1 1 -10 -28 2  f 112.729 3.9209  1547.21    107.247  1545.73    155.993  1548.54    147.687  112.303 5.7439  112.598 5.4057  -0.2943573     7.887552 
1 1 1 -10 -28 3  o 37.946  4.7595  178.241    42.858   284.150    62.621   84.919     58.782   47.937  5.4823  26.380  8.2610  21.55696       9.914637 
1 1 1 -10 -28 4  o 98.796  3.8000  1187.51    91.093   1175.38    133.306  1198.13    124.768  97.966  5.6317  98.978  5.2136  -1.012238      7.674479 
1 1 1 -10 -28 5  o 110.166 3.8964  1476.52    104.154  1467.03    151.100  1485.11    143.767  109.491 5.7073  110.349 5.3694  -0.8573532     7.836038 
1 1 1 -10 -28 6  o 170.233 4.4606  3527.93    184.246  3376.02    263.836  3672.51    257.410  166.198 6.5425  173.423 6.1172  -7.224915      8.956820 
1 1 1 -10 -28 7  o 255.514 8.1800  8008.62    507.142  8008.62    507.142  0.0000     0.0000   255.514 8.1800  ?       ?       0.000000       8.179972 
1 1 1 -10 -28 8  o 190.059 6.7633  4414.39    311.895  4414.39    311.895  0.0000     0.0000   190.059 6.7633  ?       ?       0.000000       6.763259 
1 1 1 -10 -28 9  o 53.153  5.0131  347.118    63.891   377.528    75.591   271.051    119.554  55.355  5.7099  45.947  10.890  9.407207       12.29602 
1 1 1 -10 -28 10 o 20.151  6.5516  47.844     36.697   54.030     51.553   41.491     52.248   22.260  7.7656  20.914  7.7500  1.346119       10.97114 
1 1 1 -10 -28 11 o 134.207 4.0107  2190.35    130.604  2241.55    188.859  2143.43    180.809  135.599 5.7401  132.611 5.6192  2.987717       8.032681 
1 1 1 -10 -28 12 o 161.604 4.3276  3176.98    169.695  3372.30    243.830  2993.52    236.315  166.284 6.0433  156.644 6.2175  9.640533       8.670540 
1 1 1 -10 -28 13 f 302.591 6.5101  11175.48   477.976  12003.14   678.894  10361.97   673.065  312.762 8.9459  290.365 9.5532  22.39743       13.08787 
1 1 1 -10 -28 14 o 128.088 3.9140  1994.76    121.645  2212.54    176.214  1796.50    168.133  134.769 5.3887  121.409 5.7074  13.36019       7.849385 
1 1 1 -10 -28 15 o 119.303 3.8388  1730.34    111.123  1790.51    161.422  1676.15    153.205  121.229 5.4877  117.303 5.3827  3.926056       7.686863 
1 1 1 -10 -28 16 o 150.533 5.9226  2762.54    216.327  2921.10    324.426  2635.60    290.280  154.120 8.7111  146.486 8.1998  7.634811       11.96330 
1 1 1 -10 -28 17 o 43.312  6.6582  234.218    67.733   426.741    131.858  165.205    78.945   58.185  9.6797  36.003  9.0477  22.18176       13.24981 
1 1 1 -10 -28 18 o 68.011  6.7097  570.032    109.283  0.0000     0.0000   570.032    109.283  ?       ?       68.011  6.7097  0.000000       6.709733 
1 1 1 -10 -28 19 o 20.091  7.6922  33.444     52.418   0.0000     0.0000   33.444     52.418   ?       ?       20.091  7.6922  0.000000       7.692165 
1 1 1 -10 -28 20 o 77.359  6.6539  735.756    123.681  0.0000     0.0000   735.756    123.681  ?       ?       77.359  6.6539  0.000000       6.653904 
1 1 1 -10 -28 21 o 49.496  4.7897  300.923    56.804   275.536    130.655  306.840    63.077   46.334  11.637  49.918  5.2883  -3.583675      12.78244 
1 1 1 -10 -28 22 o 144.844 4.0804  2551.14    143.405  2526.69    204.160  2574.95    201.478  143.974 5.8442  145.358 5.7125  -1.383514      8.172308 
1 1 1 -10 -28 23 o 110.129 3.5387  1473.98    94.559   1529.95    140.660  1427.82    127.726  112.089 5.1718  108.307 4.8603  3.782379       7.097159 
1 1 1 -10 -28 24 o 123.755 3.6792  1861.57    110.479  1969.73    164.352  1772.42    149.224  127.167 5.3264  120.649 5.0974  6.517166       7.372554 
1 1 1 -10 -28 25 o 289.630 6.2255  10232.95   437.503  9940.02    627.813  10509.50   610.016  284.574 9.0922  292.796 8.5864  -8.221771      12.50582 
1 1 1 -10 -28 26 o 162.393 4.2055  3207.54    165.711  3213.90    243.152  3202.02    226.441  162.317 6.1738  162.074 5.7581  0.2428131      8.442216 
1 1 1 -10 -28 27 o 125.818 3.7674  1924.50    115.012  1980.02    171.740  1879.36    154.869  127.465 5.5528  124.223 5.1381  3.242294       7.565292 
1 1 1 -10 -28 28 o 31.897  4.7910  126.591    35.934   23.726     58.229   189.863    45.668   19.900  7.9607  39.186  4.9109  -19.28564      9.353610 
1 1 1 -10 -28 29 o 65.197  4.9771  520.635    78.140   327.050    125.792  642.267    99.711   50.576  10.590  72.355  5.7263  -21.77878      12.03901 
1 1 1 -10 -28 30 o 192.562 6.5023  4528.67    303.808  4712.35    446.803  4370.72    414.331  195.719 9.4085  188.587 9.0547  7.131805       13.05781 
1 1 1 -10 -28 31 o 240.995 7.6387  7113.67    446.674  7200.41    649.844  7035.98    614.980  241.188 11.104  238.620 10.622  2.568222       15.36628 
1 1 1 -10 -28 32 o 149.040 5.6403  2709.66    203.971  2987.52    306.685  2489.25    273.137  155.832 8.1392  142.256 7.9449  13.57664       11.37397 
1 1 1 -10 -28 33 o 96.912  3.5889  1142.10    84.392   1179.26    129.734  1114.85    111.115  98.175  5.4679  95.541  4.8085  2.633957       7.281458 
1 1 1 -10 -28 34 o 95.652  3.5835  1112.77    83.169   1143.51    128.347  1090.52    109.198  96.649  5.4957  94.480  4.7788  2.168457       7.282852 
1 1 1 -10 -28 35 o 39.975  4.3390  196.903    41.411   158.924    67.096   220.272    52.631   35.270  8.0214  42.167  5.2583  -6.897644      9.591294 
1 1 1 -10 -28 36 o 105.852 3.6864  1363.60    94.681   1414.87    145.776  1326.18    124.521  107.460 5.6102  104.262 4.9221  3.197891       7.463379 
1 1 1 -10 -28 37 o 221.076 5.1492  5969.35    276.214  6018.20    404.137  5926.54    378.385  221.138 7.5318  219.621 7.1006  1.517151       10.35119 
1 1 1 -10 -28 38 o 161.849 4.3006  3194.50    168.890  3308.95    251.983  3101.16    227.572  164.231 6.3234  159.106 5.8948  5.124451       8.644895 
1 1 1 -10 -28 39 o 87.148  3.7168  925.371    78.595   918.865    121.861  930.005    102.844  86.377  5.8488  87.096  4.8862  -0.7194519     7.621272 
1 1 1 -10 -28 40 o 119.409 3.9234  1739.04    113.673  1601.97    173.374  1842.39    150.549  113.967 6.2940  122.691 5.0571  -8.724655      8.073944 
1 1 1 -10 -28 41 o 67.900  3.7989  564.144    62.337   529.148    99.988   586.394    79.728   65.236  6.3992  69.060  4.7875  -3.823845      7.991825 
1 1 1 -10 -28 42 o 148.438 4.2370  2693.35    152.606  2590.97    230.394  2773.39    203.698  144.833 6.5560  150.210 5.5889  -5.377258      8.614892 
1 1 1 -10 -28 43 o 112.927 3.8679  1557.82    105.983  1594.70    164.310  1531.55    138.692  113.565 5.9840  111.684 5.1179  1.881454       7.874090 
1 1 1 -10 -28 44 o 105.857 5.4804  1383.48    140.282  1531.85    212.964  1269.76    186.447  110.343 8.0087  100.551 7.7005  9.792374       11.11027 
1 1 1 -10 -28 45 o 23.021  7.5964  63.787     49.266   45.862     86.028   72.535     60.097   24.495  9.7157  24.749  8.3936  -0.2535019     12.83931 
1 1 1 -10 -28 46 o 50.420  5.9629  318.824    71.536   316.030    117.148  320.486    90.334   48.788  10.223  50.032  7.6871  -1.243320      12.79081 
1 1 1 -10 -28 47 o 66.082  3.8820  536.433    61.971   501.264    104.684  555.407    76.892   63.006  6.9640  67.039  4.7580  -4.032757      8.434214 
1 1 1 -10 -28 48 o 52.081  4.3528  335.259    54.503   355.548    99.522   326.568    65.139   52.533  8.0655  51.163  5.3252  1.369450       9.664854 
1 1 1 -10 -28 49 o 24.859  6.7937  79.741     42.147   119.276    77.696   63.256     50.170   30.420  9.4929  22.940  7.6696  7.480547       12.20401 
1 1 1 -10 -28 50 o 84.231  3.9847  870.090    81.440   802.671    137.356  906.638    101.133  79.659  7.1837  85.619  4.8884  -5.959175      8.689147 
1 1 1 -10 -28 51 o ?       ?       -198.6709  16.327   -389.7644  61.957   -184.4096  16.926   ?       ?       ?       ?       0.000000       ?        
1 1 1 -10 -28 52 o 45.560  6.3953  264.230    68.750   241.060    130.456  273.139    80.895   41.656  12.154  45.946  7.5162  -4.289467      14.29046 
1 1 1 -10 -28 53 o 45.049  5.2953  255.091    56.777   120.078    141.588  280.962    61.979   32.881  12.629  47.240  5.5107  -14.35967      13.77933 
1 1 1 -10 -28 54 o 76.053  4.1589  714.605    76.456   748.945    136.012  698.742    92.443   76.399  7.4311  74.856  5.1204  1.543503       9.024418 
1 1 1 -10 -28 55 o 82.050  4.1316  832.243    81.992   990.644    142.448  753.763    100.267  88.243  6.7030  77.582  5.3593  10.66140       8.582064 
1 1 1 -10 -28 56 o 96.435  4.2076  1149.09    98.455   1094.18    168.945  1177.33    121.153  91.948  7.6417  97.043  5.1638  -5.095367      9.222873 
1 1 1 -10 -28 57 o 42.658  5.4026  231.210    54.667   269.295    108.776  218.341    63.232   43.781  10.395  41.002  6.5783  2.779282       12.30142 
1 1 1 -10 -28 58 o 33.988  7.1894  153.650    57.440   82.016     116.782  176.510    65.971   28.363  11.298  36.273  7.7319  -7.910492      13.69013 
1 1 1 -10 -28 59 o 19.619  7.6687  34.609     52.900   -74.4338   121.469  60.132     58.766   21.082  9.8059  22.748  8.2531  -1.666290      12.81675 
1 1 1 -10 -28 60 o 16.558  7.1949  -2.1733    53.806   -49.1921   128.545  7.8149     59.246   22.632  10.368  18.057  7.6929  4.575396       12.91062 
1 1 1 -10 -28 61 o 22.493  8.7001  50.763     67.541   45.284     149.059  52.179     75.766   28.162  12.105  23.290  9.1556  4.872482       15.17768 
1 1 1 -10 -28 62 o 23.499  8.8399  60.907     68.480   13.743     149.984  73.328     76.972   26.863  11.834  25.192  9.3924  1.670813       15.10804 
1 1 1 -10 -28 63 o 67.889  5.1388  581.013    84.021   637.007    177.950  564.949    95.315   66.594  11.424  66.506  5.9702  0.8820343E-01  12.89008 
1 1 1 -10 -28 64 o 56.922  5.5919  412.783    76.237   388.898    169.275  418.861    85.386   49.811  13.616  56.997  6.2782  -7.185764      14.99385 
1 1 1 -10 -28 65 o 49.482  19.645  512.918    352.023  512.918    352.023  0.0000     0.0000   49.482  19.645  ?       ?       0.000000       19.64492 
1 1 1 -10 -27 1  o 84.332  3.7833  865.372    77.415   933.096    112.918  805.306    106.341  87.280  5.3578  81.047  5.4391  6.232887       7.634820 
1 1 1 -10 -27 2  o 94.625  3.7904  1089.24    87.027   1087.57    127.040  1090.72    119.459  94.240  5.5806  94.430  5.2342  -0.1896591     7.651075 
1 1 1 -10 -27 3  o 87.616  3.7374  933.622    79.455   894.075    116.498  968.018    108.646  85.421  5.6526  88.983  5.0528  -3.562012      7.581773 
1 1 1 -10 -27 4  o 38.229  4.7183  180.629    42.837   164.391    60.842   196.592    60.324   36.028  7.2114  39.608  6.5025  -3.580460      9.710181 
1 1 1 -10 -27 5  o 119.182 3.9287  1727.47    113.610  1793.88    164.100  1666.35    157.445  121.301 5.5755  116.912 5.5502  4.388695       7.867024 
1 1 1 -10 -27 6  o 237.014 7.7096  6876.75    443.373  6876.75    443.373  0.0000     0.0000   237.014 7.7096  ?       ?       0.000000       7.709606 
1 1 1 -10 -27 7  o 197.926 6.8768  4785.65    330.259  4785.65    330.259  0.0000     0.0000   197.926 6.8768  ?       ?       0.000000       6.876839 
1 1 1 -10 -27 8  f 58.247  4.7430  415.641    66.452   388.234    79.979   476.740    119.417  56.115  5.9655  61.875  8.1525  -5.760204      10.10194 
1 1 1 -10 -27 9  o 48.997  4.2642  294.187    50.190   279.599    71.127   308.655    70.833   47.461  6.3344  49.967  5.9600  -2.505222      8.697498 
1 1 1 -10 -27 10 o 46.595  3.9811  265.887    44.577   271.394    68.494   261.841    58.714   46.774  6.1870  46.060  5.3534  0.7140236      8.181501 
1 1 1 -10 -27 11 o 228.509 5.3016  6358.95    293.953  6885.96    419.226  5849.24    412.286  237.394 7.2780  218.686 7.7699  18.70734       10.64616 
1 1 1 -10 -27 12 o 147.659 4.1338  2651.20    148.105  2928.71    213.503  2393.79    205.625  155.039 5.6754  140.126 6.0477  14.91270       8.293694 
1 1 1 -10 -27 13 o 84.647  3.6252  870.783    74.457   920.990    110.013  828.347    101.140  86.814  5.2473  82.334  5.0876  4.479881       7.308776 
1 1 1 -10 -27 14 o 90.135  3.6309  987.341    79.409   1016.53    116.934  962.355    108.180  91.215  5.3063  88.774  5.0430  2.441559       7.320433 
1 1 1 -10 -27 15 f 205.277 4.8922  5128.20    243.673  5469.30    347.806  4799.38    341.491  211.693 6.7712  198.246 7.0992  13.44661       9.810618 
1 1 1 -10 -27 16 o 115.964 3.7966  1634.53    106.827  1821.66    155.486  1467.21    147.022  122.320 5.2388  109.614 5.5459  12.70545       7.628986 
1 1 1 -10 -27 17 o 143.882 5.5594  2521.62    194.087  2671.89    277.529  2377.78    271.531  147.627 7.7752  139.183 8.0749  8.443756       11.20975 
1 1 1 -10 -27 18 o 121.990 7.3081  1824.24    215.320  0.0000     0.0000   1824.24    215.320  ?       ?       121.990 7.3081  0.000000       7.308065 
1 1 1 -10 -27 19 f 138.606 7.7295  2355.84    258.920  0.0000     0.0000   2355.84    258.920  ?       ?       138.606 7.7295  0.000000       7.729515 
1 1 1 -10 -27 20 o 154.905 5.9170  2924.30    222.398  3533.60    331.131  2423.59    300.177  169.958 8.0296  140.359 8.8595  29.59895       11.95676 
1 1 1 -10 -27 21 o 114.684 5.2377  1601.33    145.749  1735.74    217.186  1491.20    196.590  118.938 7.5650  110.235 7.3926  8.702385       10.57738 
1 1 1 -10 -27 22 o 200.553 6.8000  4908.98    330.907  4957.93    479.246  4864.38    457.460  200.899 9.8314  199.083 9.4701  1.815445       13.65062 
1 1 1 -10 -27 23 o 79.932  3.3359  776.253    64.700   868.733    98.254   705.451    85.970   84.356  4.8203  76.003  4.6846  8.353592       6.721666 
1 1 1 -10 -27 24 o 84.759  3.3963  872.888    69.848   820.011    106.164  913.247    92.750   81.884  5.3732  86.537  4.4321  -4.652946      6.965197 
1 1 1 -10 -27 25 o 146.956 3.9694  2625.51    141.539  2570.24    208.142  2673.04    193.044  145.218 5.9071  148.152 5.3701  -2.934784      7.983244 
1 1 1 -10 -27 26 o 222.276 5.1352  6015.17    276.960  5516.91    400.423  6472.18    383.487  212.390 7.7700  230.247 6.8643  -17.85686      10.36778 
1 1 1 -10 -27 27 f 50.545  3.7333  312.227    45.463   223.244    71.347   373.054    58.989   42.165  7.2341  55.201  4.4417  -13.03614      8.488869 
1 1 1 -10 -27 28 o 45.904  3.8457  257.957    42.440   276.885    68.061   245.916    54.286   47.270  6.0746  44.655  5.1018  2.615593       7.932766 
1 1 1 -10 -27 29 o 51.509  3.7421  324.216    46.451   313.787    74.292   330.909    59.519   50.345  6.2135  51.925  4.7777  -1.579868      7.837988 
1 1 1 -10 -27 30 o 196.605 6.6328  4719.41    316.412  4782.80    465.553  4664.99    431.350  197.201 9.7296  194.917 9.1204  2.283417       13.33596 
1 1 1 -10 -27 31 o 231.016 7.3456  6527.20    411.751  6885.33    601.019  6210.45    565.234  236.286 10.483  224.444 10.379  11.84256       14.75187 
1 1 1 -10 -27 32 o 114.809 5.1219  1605.72    142.683  1866.83    219.948  1415.99    187.486  123.306 7.3855  107.357 7.2397  15.94872       10.34204 
1 1 1 -10 -27 33 o 37.396  6.3427  175.443    55.497   140.589    95.240   193.361    68.288   33.801  10.504  39.106  7.4691  -5.305485      12.88876 
1 1 1 -10 -27 34 o 82.841  3.5607  834.420    71.572   869.172    111.876  810.343    93.122   84.242  5.5035  81.432  4.7334  2.810387       7.258987 
1 1 1 -10 -27 35 o 92.722  3.5957  1045.58    80.897   1158.06    124.982  964.474    106.128  97.300  5.3139  88.822  4.9439  8.478249       7.258095 
1 1 1 -10 -27 36 o 88.461  3.6444  951.952    78.224   845.090    121.480  1027.65    102.242  82.930  6.0795  91.838  4.5882  -8.907288      7.616526 
1 1 1 -10 -27 37 o 168.525 4.4122  3460.79    180.419  3412.70    267.627  3500.86    244.270  166.895 6.6088  169.194 5.9501  -2.298920      8.892675 
1 1 1 -10 -27 38 o 88.494  3.6229  953.218    77.791   1115.62    119.502  833.796    102.476  95.434  5.1801  82.470  5.1468  12.96439       7.302246 
1 1 1 -10 -27 39 o 94.509  3.7368  1087.88    85.691   1041.53    132.412  1121.29    112.402  92.010  5.9632  95.700  4.8565  -3.690552      7.690552 
1 1 1 -10 -27 40 o 78.576  3.6761  752.235    70.088   837.826    111.007  695.495    90.382   82.518  5.5769  75.262  4.9774  7.255402       7.475039 
1 1 1 -10 -27 41 o 75.825  3.7200  700.899    68.442   689.047    107.890  708.880    88.538   74.662  6.0063  75.982  4.8274  -1.319527      7.705817 
1 1 1 -10 -27 42 o 66.585  3.7927  542.609    61.022   637.025    99.083   484.916    77.453   71.785  5.7364  62.699  5.1363  9.086781       7.699875 
1 1 1 -10 -27 43 o 152.779 4.3521  2854.74    161.335  2559.78    243.931  3084.10    215.104  143.760 6.9930  158.382 5.5973  -14.62219      8.957245 
1 1 1 -10 -27 44 o 79.160  3.6981  765.107    71.031   886.936    114.700  689.321    90.465   84.702  5.6127  74.776  5.0151  9.925758       7.526858 
1 1 1 -10 -27 45 o 112.333 5.5431  1554.85    151.086  1586.76    229.338  1530.38    200.825  112.036 8.4997  110.494 7.5355  1.542236       11.35909 
1 1 1 -10 -27 46 o 77.709  5.4215  747.825    101.585  782.299    159.296  724.197    131.880  78.357  8.5155  75.862  7.2530  2.495453       11.18570 
1 1 1 -10 -27 47 o 20.495  6.5795  51.185     37.091   43.741     86.732   52.851     41.033   24.357  9.7255  21.005  6.9327  3.352455       11.94359 
1 1 1 -10 -27 48 o 31.405  6.0039  126.119    44.083   98.401     80.829   137.854    52.593   28.517  9.7340  32.671  6.8533  -4.153013      11.90457 
1 1 1 -10 -27 49 o 59.280  4.2137  433.190    60.215   280.136    105.872  506.372    73.209   45.918  9.8010  63.985  4.7493  -18.06717      10.89105 
1 1 1 -10 -27 50 o 56.195  4.2559  389.785    57.600   399.236    103.053  385.491    69.463   55.783  7.8293  55.648  5.2049  0.1346664      9.401519 
1 1 1 -10 -27 51 o 27.299  7.9303  96.494     55.647   222.849    117.246  59.755     63.222   40.433  11.438  23.497  8.5548  16.93636       14.28342 
1 1 1 -10 -27 52 o 63.741  5.7895  508.804    88.564   478.078    166.580  520.912    104.568  58.891  12.063  64.118  6.8262  -5.227928      13.86084 
1 1 1 -10 -27 53 o 18.752  7.4368  26.182     50.398   -31.7073   114.123  40.207     56.173   22.591  10.114  20.807  7.9637  1.783613       12.87277 
1 1 1 -10 -27 54 o 49.223  4.9128  302.781    57.892   425.188    110.001  255.889    68.084   57.119  8.1697  44.725  6.4610  12.39336       10.41580 
1 1 1 -10 -27 55 o 58.397  4.4531  423.635    62.623   414.392    117.534  427.299    74.002   55.851  8.9771  58.377  5.2816  -2.526428      10.41551 
1 1 1 -10 -27 56 o 78.171  4.2526  756.874    80.358   707.975    142.615  779.620    97.268   73.646  8.1156  78.989  5.1024  -5.342567      9.586312 
1 1 1 -10 -27 57 f 35.912  5.8886  166.021    49.532   97.910     102.427  186.811    56.589   28.895  10.823  37.971  6.3675  -9.076477      12.55674 
1 1 1 -10 -27 58 o 42.802  6.5285  237.627    65.655   131.596    133.504  271.450    75.403   32.455  12.312  45.574  7.0461  -13.11890      14.18533 
1 1 1 -10 -27 59 o 44.470  6.3017  255.654    66.095   109.848    136.756  300.093    75.498   31.079  12.274  48.082  6.6493  -17.00305      13.95950 
1 1 1 -10 -27 60 o 25.723  8.1535  87.105     57.098   210.967    127.153  55.820     63.904   37.913  12.183  22.703  8.5396  15.20996       14.87803 
1 1 1 -10 -27 61 o 27.797  9.0814  102.709    70.475   -99.3703   150.733  159.242    79.726   22.917  10.746  33.820  9.3848  -10.90296      14.26674 
1 1 1 -10 -27 62 o 24.632  8.9552  71.944     69.243   -13.6645   151.481  94.556     77.852   25.939  11.629  27.231  9.5405  -1.292227      15.04212 
1 1 1 -10 -27 63 o 30.459  8.0896  125.984    60.796   -47.1903   142.622  164.439    67.208   23.983  10.963  34.801  8.1093  -10.81885      13.63605 
1 1 1 -10 -27 64 o 24.535  8.5014  75.431     61.736   58.320     143.965  79.287     68.339   28.494  12.060  25.264  8.9311  3.230066       15.00675 
1 1 1 -10 -27 65 o 51.286  19.976  552.957    357.999  552.957    357.999  0.0000     0.0000   51.286  19.976  ?       ?       0.000000       19.97624 
1 1 1 -10 -26 1  o 126.809 4.0246  1956.36    123.834  1876.29    179.855  2028.53    170.756  123.979 5.9787  128.977 5.4563  -4.997864      8.094247 
1 1 1 -10 -26 2  o 71.700  3.7589  626.826    65.167   579.232    95.882   667.686    88.840   68.669  5.8090  73.871  4.9856  -5.202461      7.655165 
1 1 1 -10 -26 3  o 125.453 3.9706  1914.01    120.865  1894.21    175.776  1931.77    166.463  124.632 5.8125  125.900 5.4491  -1.268753      7.967335 
1 1 1 -10 -26 4  o 165.492 4.4296  3332.21    177.871  3182.76    255.390  3473.00    247.874  161.470 6.5185  168.743 6.0540  -7.273178      8.896161 
1 1 1 -10 -26 5  o 198.579 6.9711  4816.81    335.893  4816.81    335.893  0.0000     0.0000   198.579 6.9711  ?       ?       0.000000       6.971146 
1 1 1 -10 -26 6  o 118.674 5.5813  1715.87    160.713  1715.87    160.713  0.0000     0.0000   118.674 5.5813  ?       ?       0.000000       5.581274 
1 1 1 -10 -26 7  o 185.675 5.4570  4199.14    245.849  4238.88    300.332  4118.42    428.028  186.374 6.6413  182.861 9.6814  3.513138       11.74032 
1 1 1 -10 -26 8  o 184.109 4.6289  4123.79    206.783  3992.93    294.996  4250.21    289.939  180.884 6.7213  186.672 6.4012  -5.787460      9.281776 
1 1 1 -10 -26 9  o 191.502 4.6873  4461.77    217.800  4648.72    311.515  4283.00    304.631  195.207 6.5769  187.351 6.7012  7.855698       9.389452 
1 1 1 -10 -26 10 o 214.483 5.0809  5599.38    264.420  5863.59    377.290  5344.35    370.690  219.145 7.0955  209.177 7.3035  9.967453       10.18270 
1 1 1 -10 -26 11 o 269.147 5.8889  8826.79    384.584  9674.72    547.002  7997.92    540.819  281.258 8.0153  255.537 8.7223  25.72104       11.84586 
1 1 1 -10 -26 12 o 363.699 8.6438  16197.44   762.802  17297.12   1315.53  15640.42   936.267  372.702 14.547  356.456 10.825  16.24612       18.13278 
1 1 1 -10 -26 13 o 113.870 3.7532  1575.83    103.699  1654.60    150.536  1504.70    143.056  116.578 5.3218  111.174 5.3032  5.404861       7.513039 
1 1 1 -10 -26 14 o 65.598  3.6365  524.500    57.655   520.047    87.174   527.962    76.867   65.111  5.5714  65.695  4.8566  -0.5830460     7.391075 
1 1 1 -10 -26 15 o 297.056 6.3591  10758.75   458.349  11414.07   650.780  10113.69   645.658  305.285 8.7855  287.218 9.2646  18.06693       12.76784 
1 1 1 -10 -26 16 o 369.716 7.6564  16702.38   686.843  17496.57   973.666  15915.72   969.037  377.154 10.640  359.491 11.109  17.66333       15.38244 
1 1 1 -10 -26 17 o 149.766 5.7729  2732.31    209.785  0.0000     0.0000   2732.31    209.785  ?       ?       149.766 5.7729  0.000000       5.772931 
1 1 1 -10 -26 18 o 29.943  6.5704  113.599    46.426   0.0000     0.0000   113.599    46.426   ?       ?       29.943  6.5704  0.000000       6.570442 
1 1 1 -10 -26 19 o 165.102 6.1211  3322.19    245.214  3393.81    361.424  3261.09    333.792  166.198 8.9959  163.024 8.4675  3.173920       12.35418 
1 1 1 -10 -26 20 o 362.652 10.685  16178.21   940.182  16419.18   1340.81  15945.12   1318.70  362.775 15.232  357.519 15.201  5.255432       21.51991 
1 1 1 -10 -26 21 o 283.520 8.6897  9842.28    597.795  10015.73   856.315  9677.40    834.912  284.660 12.398  279.854 12.295  4.806610       17.46089 
1 1 1 -10 -26 22 o 76.158  4.9608  708.752    91.171   699.497    136.862  716.135    122.243  75.292  7.5953  76.336  6.6667  -1.043930      10.10614 
1 1 1 -10 -26 23 o 116.302 5.2562  1646.59    148.329  1629.85    218.576  1660.88    201.947  115.205 7.8663  116.417 7.1843  -1.211555      10.65329 
1 1 1 -10 -26 24 o 335.568 6.9557  13743.32   566.348  13831.22   809.694  13659.11   792.459  335.597 9.9435  333.564 9.7911  2.033142       13.95491 
1 1 1 -10 -26 25 o 249.765 5.5399  7597.26    335.733  7350.54    483.498  7827.00    466.551  245.137 8.1287  253.088 7.5974  -7.951050      11.12637 
1 1 1 -10 -26 26 o 218.929 5.1087  5833.99    271.379  5160.17    392.335  6452.13    375.776  205.436 7.8707  229.958 6.7347  -24.52129      10.35879 
1 1 1 -10 -26 27 o 186.597 4.5113  4235.14    204.256  4353.62    297.861  4129.97    280.631  188.926 6.4977  184.042 6.2843  4.884766       9.039459 
1 1 1 -10 -26 28 o 172.201 4.3422  3606.31    181.430  3716.76    266.278  3510.61    247.871  174.585 6.2858  169.710 6.0194  4.874939       8.703152 
1 1 1 -10 -26 29 o 183.808 4.5256  4109.93    201.837  4150.13    295.275  4074.67    276.527  184.426 6.5984  182.797 6.2345  1.628510       9.077930 
1 1 1 -10 -26 30 o 113.237 5.1057  1561.13    140.284  1681.59    214.941  1471.74    185.158  117.033 7.6105  109.560 7.0017  7.473267       10.34132 
1 1 1 -10 -26 31 f 197.768 6.7229  4774.94    322.608  4679.14    475.493  4856.65    439.145  194.762 10.096  198.937 9.0976  -4.175049      13.59064 
1 1 1 -10 -26 32 o 160.693 5.9734  3148.92    232.908  3059.95    348.904  3220.43    312.809  157.605 9.1633  162.188 7.9487  -4.582977      12.13043 
1 1 1 -10 -26 33 f 119.813 5.2225  1748.75    151.825  2016.79    234.918  1556.49    198.961  128.158 7.5883  112.580 7.3234  15.57780       10.54584 
1 1 1 -10 -26 34 o 69.157  3.6453  583.080    60.954   560.852    96.287   597.944    78.740   67.546  5.9351  69.928  4.6674  -2.382011      7.550518 
1 1 1 -10 -26 35 o 118.937 3.8384  1720.51    110.773  1566.02    167.398  1840.87    147.749  113.090 6.1233  122.924 4.9536  -9.834122      7.876107 
1 1 1 -10 -26 36 o 83.226  3.6394  842.400    73.494   845.312    114.216  840.342    96.011   83.030  5.7038  82.914  4.7928  0.1166458      7.450130 
1 1 1 -10 -26 37 o 84.484  3.6760  868.310    75.356   790.259    117.156  923.389    98.416   80.185  6.0664  86.924  4.6835  -6.738808      7.663980 
1 1 1 -10 -26 38 o 47.497  4.2263  276.951    48.198   345.660    77.683   233.948    61.456   52.798  6.1808  43.333  6.0065  9.464417       8.618598 
1 1 1 -10 -26 39 o 147.209 4.1719  2640.73    149.017  2590.78    223.733  2680.54    199.780  145.390 6.3421  148.061 5.5609  -2.670853      8.434789 
1 1 1 -10 -26 40 o 56.740  3.9765  394.242    54.400   458.055    87.847   354.548    69.284   60.841  6.0300  53.571  5.4040  7.270344       8.097186 
1 1 1 -10 -26 41 o 150.999 4.2071  2781.88    154.143  2846.97    232.532  2730.86    205.877  152.224 6.2956  149.261 5.6846  2.963470       8.482259 
1 1 1 -10 -26 42 o 79.523  3.7024  770.979    71.439   758.600    114.976  778.765    91.176   78.328  6.0976  79.662  4.7383  -1.333832      7.722219 
1 1 1 -10 -26 43 o 83.165  3.7512  843.802    75.697   696.495    121.626  936.936    96.709   74.799  6.7749  87.399  4.5763  -12.59983      8.175638 
1 1 1 -10 -26 44 o 22.655  6.2851  65.243     35.762   49.211     62.347   73.105     43.659   22.570  8.4456  24.055  7.0347  -1.484529      10.99164 
1 1 1 -10 -26 45 o 84.769  5.3954  887.362    110.398  856.948    170.755  909.206    144.709  82.159  8.6978  85.286  7.0562  -3.126953      11.20010 
1 1 1 -10 -26 46 o 87.270  5.4537  941.711    114.905  968.434    176.571  922.082    151.333  87.388  8.4320  85.700  7.3487  1.688141       11.18487 
1 1 1 -10 -26 47 o 33.849  7.2214  148.114    57.501   26.646     98.082   211.725    70.978   24.339  10.103  40.561  7.4878  -16.22223      12.57521 
1 1 1 -10 -26 48 o 18.218  6.4018  36.678     35.066   -69.1696   66.006   78.298     41.390   14.932  7.0357  24.677  6.7277  -9.745008      9.734592 
1 1 1 -10 -26 49 o 55.256  4.3400  376.862    57.721   313.496    104.448  404.721    69.257   48.929  9.1336  57.107  5.0502  -8.177395      10.43685 
1 1 1 -10 -26 50 o 71.062  4.1017  621.097    70.423   740.455    122.400  562.036    86.102   76.809  6.6327  67.270  5.3184  9.538193       8.501642 
1 1 1 -10 -26 51 o 91.449  4.0130  1025.37    89.046   1034.81    150.685  1020.30    110.381  90.705  6.8983  90.820  5.0286  -0.1141891     8.536559 
1 1 1 -10 -26 52 o 54.347  5.9284  371.150    76.909   465.758    143.446  332.981    91.112   59.082  10.385  50.876  7.6149  8.206348       12.87790 
1 1 1 -10 -26 53 o 12.924  6.0180  -40.0773   45.948   138.823    108.176  -79.4585   50.754   32.982  11.261  11.905  5.7570  21.07741       12.64725 
1 1 1 -10 -26 54 o 32.298  6.3428  134.869    47.934   53.453     96.374   161.630    55.253   25.617  10.244  35.330  6.6902  -9.712862      12.23493 
1 1 1 -10 -26 55 o 73.817  4.2406  673.746    75.634   694.003    136.790  664.826    90.772   73.324  7.8087  72.998  5.1580  0.3261642      9.358485 
1 1 1 -10 -26 56 o 56.350  4.6805  395.880    63.417   355.773    120.328  411.305    74.622   51.028  10.076  57.179  5.4443  -6.150841      11.45276 
1 1 1 -10 -26 57 o 45.343  5.1754  259.382    55.921   323.036    111.908  238.197    64.559   48.538  9.8388  43.005  6.3804  5.533009       11.72652 
1 1 1 -10 -26 58 o 27.922  7.8011  104.141    54.892   158.856    102.940  82.401     64.887   33.880  10.970  25.583  8.7215  8.296465       14.01443 
1 1 1 -10 -26 59 o 37.954  6.9113  189.348    61.303   113.118    130.935  210.750    69.376   31.112  12.091  39.865  7.4461  -8.753027      14.20014 
1 1 1 -10 -26 60 o 43.322  6.4625  243.533    65.854   312.194    146.290  226.083    73.749   45.562  12.737  41.193  7.6606  4.369686       14.86343 
1 1 1 -10 -26 61 o 33.922  9.3295  159.610    79.188   183.330    167.779  152.812    89.821   36.421  13.805  33.105  10.186  3.315868       17.15662 
1 1 1 -10 -26 62 o 12.455  6.0588  -95.8727   58.352   -194.9015  133.739  -72.5881   64.850   18.852  9.1707  14.371  6.8311  4.480103       11.43527 
1 1 1 -10 -26 63 f 59.898  5.5105  454.526    79.189   489.002    171.184  445.140    89.321   57.454  12.624  58.867  6.3541  -1.413643      14.13312 
1 1 1 -10 -26 64 o 37.622  13.491  206.933    156.463  206.933    156.463  0.0000     0.0000   37.622  13.491  ?       ?       0.000000       13.49083 
1 1 1 -10 -26 65 o 45.235  18.900  368.881    346.443  368.881    346.443  0.0000     0.0000   45.235  18.900  ?       ?       0.000000       18.89959 
1 1 1 -10 -25 1  o 129.639 3.9920  2043.78    125.572  1991.92    180.808  2092.10    174.530  127.812 5.8302  131.024 5.4898  -3.211906      8.008055 
1 1 1 -10 -25 2  o 160.197 4.3551  3121.83    169.283  2710.32    243.092  3509.26    235.877  148.990 6.7244  169.681 5.7291  -20.69124      8.834027 
1 1 1 -10 -25 3  o 131.725 4.0232  2109.73    128.590  1997.61    185.513  2213.43    178.404  128.008 5.9727  134.799 5.4545  -6.791580      8.088571 
1 1 1 -10 -25 4  o 161.888 6.2345  3195.82    244.897  3195.82    244.897  0.0000     0.0000   161.888 6.2345  ?       ?       0.000000       6.234537 
1 1 1 -10 -25 5  o 128.928 5.7060  2025.06    178.501  2025.06    178.501  0.0000     0.0000   128.928 5.7060  ?       ?       0.000000       5.705982 
1 1 1 -10 -25 6  o 180.746 6.5330  3984.70    286.514  3984.70    286.514  0.0000     0.0000   180.746 6.5330  ?       ?       0.000000       6.532999 
1 1 1 -10 -25 7  o 148.581 4.9615  2686.45    178.870  2479.09    329.835  2772.84    212.893  141.819 9.6424  150.865 5.8158  -9.046341      11.26052 
1 1 1 -10 -25 8  o 102.361 3.6647  1273.24    91.021   1449.82    132.820  1116.89    124.983  109.150 5.0150  95.627  5.4087  13.52338       7.375935 
1 1 1 -10 -25 9  o 35.648  4.4798  156.966    37.893   205.284    60.067   125.024    48.838   40.565  6.3076  31.435  6.6125  9.129976       9.138459 
1 1 1 -10 -25 10 o 25.453  5.4045  81.864     32.346   92.663     52.435   75.230     41.097   27.174  7.6359  24.458  6.7187  2.716087       10.17097 
1 1 1 -10 -25 11 o 144.709 4.0802  2545.55    143.264  2669.51    205.826  2429.07    199.532  148.048 5.7297  141.214 5.8233  6.833603       8.169489 
1 1 1 -10 -25 12 o 279.004 6.0664  9485.10    410.681  10206.96   583.249  8775.29    578.363  288.874 8.3211  267.691 8.9044  21.18237       12.18724 
1 1 1 -10 -25 13 o 115.966 3.7503  1634.23    105.526  1849.33    153.082  1439.46    145.666  123.273 5.1179  108.589 5.5470  14.68444       7.547328 
1 1 1 -10 -25 14 o 223.139 5.1475  6059.49    278.698  6511.15    396.931  5620.33    391.406  230.985 7.0822  214.523 7.5195  16.46201       10.32957 
1 1 1 -10 -25 15 o 119.407 3.7882  1732.71    109.757  1904.77    158.696  1574.95    151.963  125.100 5.2281  113.735 5.5065  11.36537       7.593101 
1 1 1 -10 -25 16 o 150.289 5.8000  2751.06    211.504  0.0000     0.0000   2751.06    211.504  ?       ?       150.289 5.8000  0.000000       5.799990 
1 1 1 -10 -25 17 f 65.775  4.8714  529.201    77.193   0.0000     0.0000   529.201    77.193   ?       ?       65.775  4.8714  0.000000       4.871370 
1 1 1 -10 -25 18 o 56.963  4.4357  396.943    60.825   417.126    133.924  391.698    68.273   57.507  9.9585  56.515  5.0313  0.9916954      11.15731 
1 1 1 -10 -25 19 o 160.764 4.8780  3144.26    190.280  3178.56    237.284  3082.48    318.486  161.517 6.0546  158.547 8.3077  2.970444       10.27993 
1 1 1 -10 -25 20 f 116.356 5.2096  1647.74    147.082  1655.36    217.819  1641.34    199.408  116.145 7.7740  115.754 7.1345  0.3910675      10.55164 
1 1 1 -10 -25 21 o 220.160 7.1685  5915.87    382.941  6126.70    551.628  5719.76    532.025  223.371 10.178  215.830 10.159  7.541061       14.38042 
1 1 1 -10 -25 22 o 111.592 5.1613  1515.52    139.753  1564.68    206.720  1474.13    189.661  112.935 7.5879  109.670 7.1667  3.264206       10.43732 
1 1 1 -10 -25 23 o 275.016 8.5030  9254.05    567.406  9082.56    812.428  9417.34    792.797  271.191 12.347  276.345 11.823  -5.154877      17.09481 
1 1 1 -10 -25 24 o 150.812 4.6143  2766.30    168.852  2584.03    308.750  2844.07    201.686  145.018 8.8163  152.843 5.4383  -7.825378      10.35870 
1 1 1 -10 -25 25 o 29.775  4.3522  110.062    30.514   95.555     49.221   119.117    38.889   27.491  7.2683  30.836  5.3941  -3.344696      9.051179 
1 1 1 -10 -25 26 o 40.656  3.7707  202.591    36.774   146.854    58.540   238.923    47.263   34.040  7.3061  44.099  4.4792  -10.05838      8.569830 
1 1 1 -10 -25 27 o 89.417  3.4328  971.376    74.478   1063.81    113.232  900.892    98.876   93.365  5.0167  85.924  4.7612  7.441299       6.916330 
1 1 1 -10 -25 28 o 148.174 4.0837  2669.10    146.822  2392.15    216.196  2906.16    200.022  140.073 6.3610  154.503 5.3355  -14.43010      8.302439 
1 1 1 -10 -25 29 o 179.871 4.5012  3935.04    196.452  3684.49    287.139  4155.54    269.362  173.769 6.8101  184.660 6.0117  -10.89095      9.083968 
1 1 1 -10 -25 30 o 131.778 3.8419  2110.73    122.844  2215.56    183.100  2024.91    165.660  134.870 5.5951  128.963 5.2941  5.906555       7.702763 
1 1 1 -10 -25 31 o 165.985 6.1050  3358.71    245.878  3181.46    366.584  3503.66    331.504  160.740 9.4405  169.223 8.0736  -8.483521      12.42201 
1 1 1 -10 -25 32 o 141.236 5.6134  2430.32    192.370  2439.70    292.041  2423.14    255.676  140.857 8.5858  140.595 7.5220  0.2619171      11.41472 
1 1 1 -10 -25 33 o 139.835 5.6335  2382.82    191.142  2364.80    290.710  2396.54    253.688  138.619 8.6870  139.801 7.5062  -1.181076      11.48073 
1 1 1 -10 -25 34 o 130.177 5.5432  2065.23    175.091  2085.37    266.409  2049.92    232.311  130.150 8.4824  129.252 7.4388  0.8979492      11.28221 
1 1 1 -10 -25 35 o 122.328 3.8326  1819.65    113.760  1906.33    171.534  1751.58    151.993  125.039 5.6538  119.900 5.2244  5.138786       7.698081 
1 1 1 -10 -25 36 o 25.476  6.2638  82.403     38.448   160.069    62.022   33.928     49.000   35.507  7.4373  19.700  7.4622  15.80641       10.53555 
1 1 1 -10 -25 37 o 35.316  5.8990  156.326    48.766   181.596    66.307   126.552    71.972   37.848  7.4855  31.650  8.9646  6.197971       11.67886 
1 1 1 -10 -25 38 o 72.368  3.7134  638.844    64.987   872.147    102.119  480.054    84.248   84.422  5.0076  62.453  5.6198  21.96939       7.527133 
1 1 1 -10 -25 39 o 49.524  4.1640  300.843    49.573   244.386    81.137   334.471    62.619   43.921  7.9041  52.118  5.0136  -8.196915      9.360057 
1 1 1 -10 -25 40 o 253.415 5.7210  7857.88    351.781  7936.06    512.842  7788.40    483.445  253.465 8.3388  251.312 7.9281  2.153122       11.50610 
1 1 1 -10 -25 41 o 106.472 3.7745  1381.12    97.513   1475.44    152.136  1315.35    127.040  109.601 5.7407  103.735 5.0472  5.865959       7.643950 
1 1 1 -10 -25 42 o 21.387  6.4030  56.864     35.826   56.513     63.081   57.032     43.527   23.452  8.5443  21.876  7.1365  1.576096       11.13254 
1 1 1 -10 -25 43 o 50.530  4.0945  313.708    49.771   241.832    84.436   351.977    61.612   43.412  8.3187  53.424  4.8044  -10.01145      9.606383 
1 1 1 -10 -25 44 o 33.471  5.1994  140.565    40.856   205.249    71.562   109.286    49.764   40.025  7.6476  29.143  7.1023  10.88157       10.43685 
1 1 1 -10 -25 45 o 21.147  7.6632  46.768     50.645   74.949     83.778   30.539     63.577   26.760  9.8318  20.967  8.3409  5.793100       12.89324 
1 1 1 -10 -25 46 o 97.457  5.5020  1173.02    129.573  1111.57    199.607  1217.78    170.342  93.536  8.9023  98.708  7.1609  -5.171616      11.42498 
1 1 1 -10 -25 47 o 57.796  5.7233  416.079    79.206   494.281    127.285  366.662    101.183  62.074  8.6890  53.537  8.0373  8.536877       11.83626 
1 1 1 -10 -25 48 o 62.534  3.9649  480.466    59.850   446.147    100.055  499.588    74.684   59.431  7.0776  63.569  4.8791  -4.138130      8.596420 
1 1 1 -10 -25 49 o 84.597  3.9981  876.334    82.068   845.993    139.119  892.527    101.636  82.047  7.0568  85.029  4.9477  -2.982033      8.618437 
1 1 1 -10 -25 50 o 65.017  4.2477  520.581    66.642   563.124    119.735  501.487    80.216   66.614  7.5407  63.560  5.2482  3.053837       9.187267 
1 1 1 -10 -25 51 o 73.501  4.1906  664.808    74.428   623.809    131.296  684.221    90.346   69.956  7.8717  74.339  5.0385  -4.382805      9.346140 
1 1 1 -10 -25 52 o 55.198  6.0990  383.131    80.321   347.154    154.880  396.366    93.941   49.910  12.745  55.818  7.0965  -5.908222      14.58708 
1 1 1 -10 -25 53 o 69.753  5.6617  607.659    94.997   725.284    172.390  556.364    113.841  74.270  9.8058  66.138  7.2107  8.132332       12.17163 
1 1 1 -10 -25 54 o 74.408  4.2745  683.510    76.849   650.329    139.087  698.091    92.201   70.946  8.2327  74.928  5.1018  -3.981483      9.685369 
1 1 1 -10 -25 55 o 10.727  5.1375  -51.9047   38.159   -108.0579  87.836   -38.8412   42.365   16.401  7.8385  12.288  5.7409  4.112062       9.716003 
1 1 1 -10 -25 56 o 21.991  7.1502  60.144     43.708   23.363     105.402  67.782     48.032   24.354  10.314  23.220  7.4908  1.134445       12.74711 
1 1 1 -10 -25 57 o 43.074  5.3532  234.777    54.743   29.768     112.968  297.691    62.582   25.278  10.690  48.556  5.4034  -23.27840      11.97789 
1 1 1 -10 -25 58 f 38.558  6.1020  191.592    55.189   297.275    116.308  160.882    62.697   46.011  10.632  34.734  7.6464  11.27656       13.09572 
1 1 1 -10 -25 59 o 27.224  7.9693  98.772     56.005   15.973     141.144  114.244    61.014   26.593  11.603  29.127  8.2553  -2.534365      14.23975 
1 1 1 -10 -25 60 o 39.504  7.0111  205.168    64.743   83.036     160.646  228.852    70.742   30.898  12.886  41.663  7.2619  -10.76512      14.79150 
1 1 1 -10 -25 61 f 41.279  9.3700  235.507    91.704   283.707    193.678  221.578    104.114  42.690  15.041  39.454  10.634  3.236496       18.42099 
1 1 1 -10 -25 62 o 18.553  7.9497  5.4068     63.922   -128.4310  163.727  29.476     69.433   23.280  11.003  20.995  8.5850  2.284857       13.95585 
1 1 1 -10 -25 63 f 20.111  8.1743  27.863     62.472   -23.7134   146.478  39.331     69.069   25.292  11.380  21.749  8.6805  3.542887       14.31269 
1 1 1 -10 -25 64 o 35.492  13.467  170.320    159.769  170.320    159.769  0.0000     0.0000   35.492  13.467  ?       ?       0.000000       13.46725 
1 1 1 -10 -25 65 o 26.232  12.868  -359.0070  279.965  -359.0070  279.965  0.0000     0.0000   26.232  12.868  ?       ?       0.000000       12.86850 
1 1 1 -10 -24 1  o 9.6063  4.4641  -22.7412   25.079   10.665     32.131   -74.8217   40.118   14.529  5.8775  10.178  4.9671  4.350398       7.695244 
1 1 1 -10 -24 2  o 92.612  3.6902  1042.38    82.923   937.271    119.484  1140.05    115.177  87.536  5.6557  96.664  4.9270  -9.127724      7.500841 
1 1 1 -10 -24 3  o 225.381 7.4909  6205.69    409.650  6205.69    409.650  0.0000     0.0000   225.381 7.4909  ?       ?       0.000000       7.490858 
1 1 1 -10 -24 4  o 152.484 6.0269  2833.32    222.986  2833.32    222.986  0.0000     0.0000   152.484 6.0269  ?       ?       0.000000       6.026855 
1 1 1 -10 -24 5  o 131.589 5.6693  2108.82    181.015  2108.82    181.015  0.0000     0.0000   131.589 5.6693  ?       ?       0.000000       5.669319 
1 1 1 -10 -24 6  o 262.584 5.8214  8398.50    370.901  7898.70    527.269  8888.05    521.838  254.066 8.5531  269.659 7.9755  -15.59261      11.69457 
1 1 1 -10 -24 7  o 179.722 4.5170  3927.97    196.979  4147.33    281.902  3718.69    275.355  184.466 6.2982  174.648 6.4978  9.818420       9.049246 
1 1 1 -10 -24 8  o 126.494 3.8869  1944.62    119.299  1975.90    172.621  1916.02    165.062  127.390 5.5846  125.457 5.4223  1.932259       7.783958 
1 1 1 -10 -24 9  o 191.189 4.6654  4445.75    216.428  4816.91    309.274  4089.55    302.974  198.790 6.4119  183.111 6.8191  15.67905       9.360152 
1 1 1 -10 -24 10 o 130.100 3.8921  2057.02    122.865  2217.89    177.306  1908.42    170.413  134.982 5.4136  125.196 5.6098  9.786316       7.795931 
1 1 1 -10 -24 11 o 79.098  3.5361  760.122    67.866   825.351    100.603  705.650    91.935   82.205  5.0684  75.992  5.0142  6.213036       7.129536 
1 1 1 -10 -24 12 o 132.556 3.8922  2135.41    125.187  2355.62    180.328  1930.55    173.929  139.117 5.3422  125.913 5.6929  13.20366       7.806935 
1 1 1 -10 -24 13 o 82.989  3.5489  836.757    71.462   922.893    105.351  763.347    97.258   86.950  5.0148  79.042  5.0983  7.908295       7.151260 
1 1 1 -10 -24 14 o 85.308  3.5602  884.179    73.693   909.813    108.537  862.255    100.375  86.309  5.2071  84.043  4.9440  2.266182       7.180310 
1 1 1 -10 -24 15 o 49.869  5.0441  305.661    60.196   0.0000     0.0000   305.661    60.196   ?       ?       49.869  5.0441  0.000000       5.044114 
1 1 1 -10 -24 16 o 98.134  5.0090  1174.71    118.874  0.0000     0.0000   1174.71    118.874  ?       ?       98.134  5.0090  0.000000       5.009010 
1 1 1 -10 -24 17 o 121.204 4.4471  1786.26    130.785  2020.11    241.938  1689.70    155.456  128.363 7.8049  117.817 5.4379  10.54530       9.512501 
1 1 1 -10 -24 18 o 105.245 3.5243  1345.70    90.000   1329.19    136.241  1358.49    119.880  104.360 5.3988  105.687 4.6748  -1.327393      7.141511 
1 1 1 -10 -24 19 o 55.355  3.3370  373.564    44.610   314.960    69.135   415.372    58.393   50.536  5.7400  58.309  4.1544  -7.773262      7.085690 
1 1 1 -10 -24 20 o 80.328  3.2925  783.788    64.174   819.549    96.771   755.715    85.740   81.934  4.8899  78.706  4.5084  3.228638       6.651072 
1 1 1 -10 -24 21 o 82.036  4.9166  821.625    97.415   813.197    146.057  828.378    130.742  81.274  7.4907  82.166  6.6138  -0.8917007     9.992628 
1 1 1 -10 -24 22 o 135.401 5.4808  2231.78    180.065  2229.89    262.814  2233.46    247.202  134.840 8.0698  135.035 7.5753  -0.1943817     11.06831 
1 1 1 -10 -24 23 f 81.485  4.8925  810.623    96.284   938.968    143.367  705.173    129.952  87.485  6.8075  75.688  7.1612  11.79701       9.880527 
1 1 1 -10 -24 24 o 127.088 5.3842  1965.93    166.029  1874.87    243.363  2045.21    227.083  123.584 8.1617  129.249 7.2704  -5.665878      10.93037 
1 1 1 -10 -24 25 o 190.363 4.5652  4406.87    210.868  4443.87    306.402  4373.57    290.647  190.913 6.6144  189.437 6.3232  1.475647       9.150612 
1 1 1 -10 -24 26 o 131.487 3.8473  2101.03    122.746  1738.98    181.001  2409.31    167.019  119.292 6.2753  140.730 4.8912  -21.43737      7.956340 
1 1 1 -10 -24 27 o 172.125 4.2969  3602.04    179.459  3758.47    262.296  3464.36    246.067  175.627 6.1551  168.632 6.0138  6.994766       8.605296 
1 1 1 -10 -24 28 o 245.185 5.4400  7318.39    323.634  7385.50    466.898  7256.33    449.002  245.855 7.8267  243.746 7.5918  2.108429       10.90383 
1 1 1 -10 -24 29 o 124.475 3.7531  1882.88    113.355  1947.91    169.430  1830.18    152.516  126.484 5.5206  122.633 5.1256  3.851288       7.533199 
1 1 1 -10 -24 30 o 157.477 4.1604  3014.90    158.969  3033.41    234.564  2999.18    216.191  157.769 6.1274  156.926 5.6778  0.8428650      8.353594 
1 1 1 -10 -24 31 o 228.699 5.2571  6366.98    291.725  6139.74    423.322  6572.50    402.582  224.128 7.7841  232.027 7.1508  -7.898300      10.57006 
1 1 1 -10 -24 32 o 87.502  5.1241  935.145    108.317  893.745    170.008  963.434    140.533  85.059  8.3448  88.631  6.5817  -3.571953      10.62802 
1 1 1 -10 -24 33 o 25.827  7.9163  81.647     54.308   121.697    82.543   51.078     72.114   31.535  9.7753  23.985  9.0606  7.550165       13.32854 
1 1 1 -10 -24 34 o 67.707  5.4460  561.988    88.712   499.284    140.904  603.166    114.184  63.085  9.4998  69.962  6.8128  -6.876637      11.69015 
1 1 1 -10 -24 35 o 169.096 4.4317  3478.90    181.831  3302.57    268.722  3627.81    246.950  164.448 6.7346  172.487 5.9005  -8.038773      8.953781 
1 1 1 -10 -24 36 o 95.630  3.7437  1111.93    86.868   953.447    132.863  1230.25    114.805  88.164  6.2513  100.526 4.7067  -12.36221      7.825108 
1 1 1 -10 -24 37 o 56.637  4.7360  393.350    64.487   410.857    86.263   371.172    97.091   57.669  6.2656  54.549  7.5368  3.119957       9.801121 
1 1 1 -10 -24 38 o 136.454 4.0267  2265.88    133.321  2238.36    201.453  2287.33    177.837  135.351 6.1341  136.939 5.3522  -1.587997      8.140823 
1 1 1 -10 -24 39 o 152.207 4.2076  2821.27    155.394  2789.58    233.191  2846.58    208.411  150.984 6.3653  152.662 5.6263  -1.677963      8.495420 
1 1 1 -10 -24 40 o 49.567  4.1729  301.422    49.720   345.318    82.074   275.974    62.493   52.684  6.5627  47.199  5.5636  5.484688       8.603692 
1 1 1 -10 -24 41 o 105.411 3.8036  1353.41    97.285   1220.85    151.543  1446.33    126.882  99.581  6.3044  108.842 4.8044  -9.261650      7.926404 
1 1 1 -10 -24 42 o 88.355  3.6916  951.096    79.143   1031.48    124.921  897.197    102.290  91.586  5.6489  85.532  4.9500  6.054474       7.510836 
1 1 1 -10 -24 43 f 94.379  3.7887  1086.06    86.763   1030.16    136.757  1123.71    112.245  91.334  6.2078  95.730  4.8481  -4.395996      7.876651 
1 1 1 -10 -24 44 o 61.822  3.8949  468.233    58.127   493.739    96.315   453.621    72.901   62.987  6.3904  60.653  4.9980  2.333916       8.112830 
1 1 1 -10 -24 45 o 90.098  3.7859  990.916    82.765   1029.55    133.737  966.938    105.365  91.205  6.0780  88.683  4.9158  2.521919       7.817121 
1 1 1 -10 -24 46 o 72.955  5.5182  658.540    96.960   595.012    150.131  703.999    126.998  68.099  9.3313  74.993  7.0625  -6.893929      11.70266 
1 1 1 -10 -24 47 o 72.970  5.5412  659.633    97.377   706.133    151.046  626.562    127.383  74.507  8.5076  70.479  7.5673  4.027679       11.38606 
1 1 1 -10 -24 48 o 166.205 4.5081  3388.07    181.801  3556.84    277.283  3260.82    240.776  169.156 6.7557  162.317 6.1134  6.838531       9.111186 
1 1 1 -10 -24 49 o 176.883 4.7539  3844.12    204.033  3918.96    312.552  3788.55    269.338  177.110 7.2730  174.739 6.3525  2.371292       9.656660 
1 1 1 -10 -24 50 o 41.336  5.2035  213.718    51.034   239.101    99.464   204.648    59.456   42.425  9.8512  40.156  6.3102  2.269016       11.69894 
1 1 1 -10 -24 51 o 80.822  4.4876  804.652    87.659   819.605    195.936  800.910    98.015   79.034  10.476  80.474  5.0451  -1.440567      11.62710 
1 1 1 -10 -24 52 o 57.196  5.9205  409.948    80.976   515.472    149.567  366.190    96.313   62.444  10.226  53.457  7.6429  8.986916       12.76621 
1 1 1 -10 -24 53 o 19.007  7.7056  21.611     55.354   25.366     115.362  20.488     63.091   25.697  10.831  19.893  8.1647  5.803293       13.56378 
1 1 1 -10 -24 54 o 43.156  5.3283  234.070    54.609   149.062    110.324  261.657    62.849   33.878  11.373  45.516  5.8244  -11.63729      12.77779 
1 1 1 -10 -24 55 o 35.979  5.8958  165.398    49.687   311.042    104.276  122.615    56.516   48.289  9.2362  30.482  7.6526  17.80724       11.99459 
1 1 1 -10 -24 56 o 54.578  4.7974  371.520    62.886   435.218    121.866  348.403    73.415   57.262  9.0736  52.486  5.8650  4.775723       10.80406 
1 1 1 -10 -24 57 o 45.026  5.3167  255.910    56.965   364.173    116.784  222.107    65.255   51.857  9.6361  41.425  6.7226  10.43180       11.74937 
1 1 1 -10 -24 58 o 85.091  4.3998  898.465    90.530   1065.96    164.007  825.064    108.569  90.835  7.5086  80.993  5.5581  9.841652       9.341920 
1 1 1 -10 -24 59 o 23.154  8.0725  64.707     55.704   -34.4081   137.680  84.107     60.913   24.253  10.961  25.610  8.4465  -1.357147      13.83822 
1 1 1 -10 -24 60 o 54.636  5.7711  379.571    75.350   378.953    172.559  379.716    83.757   49.738  13.809  54.329  6.4816  -4.591087      15.25407 
1 1 1 -10 -24 61 o 26.849  9.1626  92.145     71.617   -85.6853   166.212  132.687    79.362   24.753  11.499  31.183  9.5717  -6.429512      14.96168 
1 1 1 -10 -24 62 o 45.523  9.6262  285.878    103.005  147.686    188.263  344.921    123.058  35.354  14.253  49.561  10.557  -14.20665      17.73697 
1 1 1 -10 -24 63 o 58.123  13.851  513.498    192.561  513.498    192.561  0.0000     0.0000   58.123  13.851  ?       ?       0.000000       13.85061 
1 1 1 -10 -24 64 o 28.753  12.269  50.003     151.101  50.003     151.101  0.0000     0.0000   28.753  12.269  ?       ?       0.000000       12.26864 
1 1 1 -10 -24 65 o 39.034  10.204  216.532    97.723   168.792    293.908  222.465    103.618  38.618  16.798  39.381  10.607  -0.7627411     19.86648 
1 1 1 -10 -23 1  o 188.802 4.7029  4336.22    215.444  4178.42    308.414  4486.61    301.086  185.054 6.8687  191.819 6.4690  -6.764923      9.435381 
1 1 1 -10 -23 2  f 123.039 5.5926  1843.43    166.962  1843.43    166.962  0.0000     0.0000   123.039 5.5926  ?       ?       0.000000       5.592577 
1 1 1 -10 -23 3  o 99.337  5.3509  1204.61    128.499  1204.61    128.499  0.0000     0.0000   99.337  5.3509  ?       ?       0.000000       5.350911 
1 1 1 -10 -23 4  o 210.382 7.1278  5400.90    363.852  5400.90    363.852  0.0000     0.0000   210.382 7.1278  ?       ?       0.000000       7.127760 
1 1 1 -10 -23 5  o 142.066 4.0563  2453.13    139.826  2293.82    199.290  2607.59    196.232  137.226 5.9853  146.354 5.5259  -9.128464      8.146122 
1 1 1 -10 -23 6  o 41.115  3.7831  207.143    37.317   252.037    57.695   174.855    48.929   45.191  5.3665  37.499  5.5447  7.692387       7.716465 
1 1 1 -10 -23 7  o 184.308 4.5217  4130.56    202.212  4446.34    289.092  3828.07    282.949  191.027 6.2370  177.206 6.5806  13.82155       9.066689 
1 1 1 -10 -23 8  o 116.831 4.2964  1659.36    121.795  1674.65    153.152  1633.06    200.894  117.300 5.3810  115.467 7.2064  1.833214       8.993750 
1 1 1 -10 -23 9  o 292.315 7.1953  10426.20   510.348  10721.49   629.052  9857.56    872.932  296.018 8.7580  282.515 12.734  13.50323       15.45525 
1 1 1 -10 -23 10 o 120.742 3.7519  1771.45    109.918  1882.61    159.099  1669.94    152.037  124.378 5.2718  117.137 5.3492  7.240913       7.510414 
1 1 1 -10 -23 11 o 159.399 4.2181  3088.61    163.144  3295.37    233.599  2891.75    227.946  164.497 5.8526  154.070 6.0975  10.42790       8.451751 
1 1 1 -10 -23 12 o 162.119 4.2635  3195.08    167.711  3346.46    240.143  3050.96    234.322  165.755 5.9709  158.253 6.1023  7.501404       8.537584 
1 1 1 -10 -23 13 o 248.996 5.5372  7547.43    334.537  8169.61    475.597  6938.10    470.656  258.671 7.5775  238.262 8.1411  20.40913       11.12190 
1 1 1 -10 -23 14 o 82.149  4.8381  823.705    96.012   0.0000     0.0000   823.705    96.012   ?       ?       82.149  4.8381  0.000000       4.838130 
1 1 1 -10 -23 15 o 79.346  4.8423  768.637    92.780   0.0000     0.0000   768.637    92.780   ?       ?       79.346  4.8423  0.000000       4.842270 
1 1 1 -10 -23 16 o 81.915  4.8638  819.071    96.238   0.0000     0.0000   819.071    96.238   ?       ?       81.915  4.8638  0.000000       4.863772 
1 1 1 -10 -23 17 o 87.126  3.3728  922.117    71.302   937.363    110.243  911.154    93.487   87.613  5.2093  86.450  4.4721  1.162735       6.865597 
1 1 1 -10 -23 18 o 80.673  3.2904  790.521    64.408   709.033    96.562   855.832    86.448   76.151  5.2582  83.797  4.2658  -7.646027      6.770982 
1 1 1 -10 -23 19 o 88.243  3.3343  945.873    71.391   899.893    106.814  982.999    95.979   85.845  5.1518  89.917  4.3991  -4.072075      6.774507 
1 1 1 -10 -23 20 o 238.591 5.2901  6927.68    306.253  7006.34    440.554  6854.12    426.025  239.551 7.5794  236.968 7.4094  2.583267       10.59936 
1 1 1 -10 -23 21 o 152.852 4.0463  2839.64    150.069  2627.79    219.010  3027.14    206.042  146.866 6.1458  157.708 5.3844  -10.84171      8.170839 
1 1 1 -10 -23 22 o 161.658 5.9387  3182.87    232.946  3056.42    337.510  3297.90    321.913  157.799 8.8506  164.283 8.0757  -6.483704      11.98128 
1 1 1 -10 -23 23 o 122.676 5.2542  1831.35    156.397  2012.47    229.309  1673.82    213.857  128.198 7.4034  116.848 7.5839  11.34961       10.59836 
1 1 1 -10 -23 24 o 285.896 8.7157  9999.35    604.611  10055.00   863.752  9945.88    846.603  285.453 12.471  283.970 12.287  1.483002       17.50680 
1 1 1 -10 -23 25 o 122.236 5.2713  1818.27    156.343  1954.06    229.172  1700.05    213.830  126.300 7.5120  117.774 7.5219  8.525841       10.63056 
1 1 1 -10 -23 26 o 175.725 4.2958  3753.89    183.165  4149.32    267.220  3403.47    251.557  184.574 5.9667  167.137 6.2030  17.43634       8.606865 
1 1 1 -10 -23 27 o 37.011  4.0604  168.481    35.865   140.896    59.355   184.344    45.011   33.321  7.5199  38.620  4.9146  -5.299408      8.983488 
1 1 1 -10 -23 28 o 134.928 3.8285  2212.33    125.342  2381.43    186.029  2071.74    169.624  139.870 5.4814  130.468 5.3582  9.401703       7.665248 
1 1 1 -10 -23 29 o 200.923 4.8367  4910.67    235.802  4525.09    342.623  5257.65    325.021  192.544 7.3337  207.688 6.4497  -15.14334      9.766323 
1 1 1 -10 -23 30 o 96.204  3.5904  1124.50    83.810   964.709    127.881  1244.80    110.961  88.793  5.9703  101.175 4.5199  -12.38228      7.488261 
1 1 1 -10 -23 31 o 137.324 3.9884  2292.11    132.896  2196.68    197.080  2371.68    179.969  134.273 6.0491  139.587 5.3136  -5.313766      8.051439 
1 1 1 -10 -23 32 o 184.339 6.4825  4143.35    289.948  4078.84    430.487  4196.91    392.270  182.063 9.7807  185.149 8.7317  -3.085754      13.11124 
1 1 1 -10 -23 33 o 42.348  6.6709  224.009    66.278   301.225    105.719  174.009    85.072   48.783  9.2703  36.968  9.4484  11.81513       13.23676 
1 1 1 -10 -23 34 o 174.077 6.4353  3696.05    271.816  3276.58    406.497  4035.30    365.565  162.903 10.338  181.570 8.2977  -18.66736      13.25583 
1 1 1 -10 -23 35 o 46.549  6.5783  269.567    72.229   174.881    116.549  328.607    92.033   37.628  11.608  51.295  7.6264  -13.66773      13.88891 
1 1 1 -10 -23 36 o 117.037 3.8315  1665.36    108.806  1663.63    164.716  1666.70    144.926  116.814 5.8113  116.987 5.1056  -0.1733322     7.735533 
1 1 1 -10 -23 37 f 97.423  3.6756  1153.94    86.887   1195.50    134.980  1124.54    113.537  98.859  5.6506  95.972  4.8919  2.887314       7.473925 
1 1 1 -10 -23 38 o 68.941  3.6880  579.626    61.469   681.690    97.879   513.157    78.988   74.570  5.4472  64.695  5.0725  9.875244       7.443251 
1 1 1 -10 -23 39 o 103.687 3.7486  1307.92    94.310   1420.62    147.078  1229.22    122.903  107.728 5.6464  100.278 5.0676  7.449860       7.586982 
1 1 1 -10 -23 40 o 38.393  4.7451  182.420    43.262   142.859    72.809   204.010    53.787   33.429  8.8407  40.484  5.6278  -7.055378      10.48000 
1 1 1 -10 -23 41 o 111.952 3.8348  1526.25    104.169  1476.54    161.246  1561.86    136.469  109.639 6.0851  113.106 4.9726  -3.467438      7.858459 
1 1 1 -10 -23 42 o 64.350  3.8244  506.271    59.445   503.758    97.505   507.757    74.995   63.754  6.3892  64.296  4.8426  -0.5425873     8.017015 
1 1 1 -10 -23 43 f 72.903  3.7608  649.500    66.299   668.854    107.928  637.770    84.020   73.558  6.1021  72.070  4.8327  1.488045       7.783983 
1 1 1 -10 -23 44 o 28.030  5.8972  100.081    38.837   96.433     68.307   101.824    47.210   27.993  8.9227  28.172  6.9496  -0.1786461     11.30977 
1 1 1 -10 -23 45 o 49.375  4.1993  300.005    49.832   252.273    85.324   324.714    61.389   44.330  8.2357  51.236  5.0018  -6.906403      9.635576 
1 1 1 -10 -23 46 o 28.772  7.6429  106.705    54.261   28.140     91.289   149.625    67.474   23.866  9.8111  33.943  8.2688  -10.07766      12.83088 
1 1 1 -10 -23 47 o 15.745  6.8032  -4.2286    47.569   12.959     79.705   -13.7375   59.284   21.514  9.0321  16.939  7.4517  4.574389       11.70922 
1 1 1 -10 -23 48 o 72.436  4.2430  644.657    74.249   589.980    151.219  662.027    85.230   67.611  9.4783  73.276  4.8206  -5.664925      10.63369 
1 1 1 -10 -23 49 o 81.332  4.0006  809.523    78.950   760.374    134.338  835.456    97.579   77.771  7.2006  82.304  4.9085  -4.532692      8.714529 
1 1 1 -10 -23 50 o 41.903  5.2730  219.605    52.426   32.415     99.525   291.493    61.676   24.829  10.230  48.347  5.3471  -23.51775      11.54317 
1 1 1 -10 -23 51 o 37.108  5.9568  174.561    51.820   196.831    129.015  170.277    56.585   38.554  12.260  36.463  6.6403  2.091480       13.94261 
1 1 1 -10 -23 52 o 128.603 6.0572  2052.90    189.010  1937.61    313.595  2118.67    236.868  121.665 10.733  129.635 7.5633  -7.969902      13.13002 
1 1 1 -10 -23 53 o 34.648  7.8166  157.229    64.152   -146.5101  133.319  248.747    73.181   20.587  9.7880  44.039  7.0891  -23.45228      12.08556 
1 1 1 -10 -23 54 o 31.025  6.9796  125.443    51.269   24.924     132.435  143.164    55.605   27.076  11.518  33.147  7.1256  -6.071630      13.54374 
1 1 1 -10 -23 55 o 110.685 4.3098  1508.58    115.748  1485.78    193.316  1521.33    144.516  108.073 7.4169  110.696 5.3804  -2.623512      9.162967 
1 1 1 -10 -23 56 o 17.268  6.8297  22.447     42.399   -156.4468  95.556   66.300     47.311   15.881  7.7314  23.025  7.4350  -7.144292      10.72629 
1 1 1 -10 -23 57 o 27.414  7.2203  99.099     48.694   157.846    108.297  84.213     54.516   34.188  11.262  25.535  7.9490  8.653507       13.78455 
1 1 1 -10 -23 58 o 53.657  4.8750  360.473    62.777   273.388    128.102  387.997    72.018   43.656  11.808  55.486  5.4184  -11.83074      12.99214 
1 1 1 -10 -23 59 o 24.257  8.1470  73.717     56.612   296.771    144.512  33.281     61.530   44.858  12.702  20.533  8.1938  24.32489       15.11530 
1 1 1 -10 -23 60 o 54.978  5.9447  384.958    78.039   540.224    175.385  346.629    87.141   61.134  12.250  51.601  7.1522  9.533310       14.18538 
1 1 1 -10 -23 61 o 19.064  8.1604  6.2678     67.234   42.756     163.475  -1.1608    73.761   29.339  12.644  19.375  8.4214  9.963964       15.19217 
1 1 1 -10 -23 62 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -10 -23 63 o 79.576  10.818  877.182    203.467  877.182    203.467  0.0000     0.0000   79.576  10.818  ?       ?       0.000000       10.81817 
1 1 1 -10 -23 64 o 70.901  5.6674  636.036    96.683   287.684    302.313  675.724    102.042  43.522  17.869  73.017  5.8076  -29.49552      18.78863 
1 1 1 -10 -23 65 o 51.714  8.8131  362.632    106.622  -294.3506  284.989  469.556    114.971  27.651  13.436  59.371  8.1997  -31.71983      15.74085 
1 1 1 -10 -22 1  f 47.209  6.8729  277.440    76.417   277.440    76.417   0.0000     0.0000   47.209  6.8729  ?       ?       0.000000       6.872885 
1 1 1 -10 -22 2  o 215.241 9.9253  5682.30    518.360  5682.30    518.360  0.0000     0.0000   215.241 9.9253  ?       ?       0.000000       9.925290 
1 1 1 -10 -22 3  o 307.372 9.3427  11572.08   696.790  11572.08   696.790  0.0000     0.0000   307.372 9.3427  ?       ?       0.000000       9.342705 
1 1 1 -10 -22 4  o 80.700  3.5551  791.180    69.612   699.259    98.945   881.270    97.954   75.605  5.4298  84.991  4.7692  -9.385948      7.226905 
1 1 1 -10 -22 5  o 138.200 3.9585  2321.07    132.739  2549.60    190.839  2106.88    184.752  144.736 5.4341  131.542 5.7884  13.19319       7.939464 
1 1 1 -10 -22 6  o 114.262 3.6402  1586.21    100.923  1716.26    145.844  1466.72    139.800  118.774 5.0606  109.789 5.2479  8.985298       7.290383 
1 1 1 -10 -22 7  o 46.582  3.6163  265.214    40.554   306.559    62.796   235.632    53.116   49.918  5.2639  43.715  5.1038  6.203827       7.331909 
1 1 1 -10 -22 8  o 176.650 4.4133  3793.83    189.167  4306.98    270.646  3303.71    264.503  188.058 5.9312  164.628 6.6216  23.43019       8.889625 
1 1 1 -10 -22 9  o 31.445  4.4002  122.544    32.654   179.629    52.807   87.204     41.550   37.959  5.9272  26.238  6.5475  11.72105       8.831834 
1 1 1 -10 -22 10 o 125.399 3.7835  1910.75    115.121  2012.35    166.345  1817.35    159.484  128.591 5.3313  122.199 5.3788  6.392334       7.573264 
1 1 1 -10 -22 11 o 363.738 7.4921  16150.33   661.234  16560.69   937.403  15743.93   932.865  367.238 10.520  357.977 10.740  9.261261       15.03381 
1 1 1 -10 -22 12 o 96.017  3.5566  1120.04    82.861   1215.70    121.354  1036.48    113.414  99.838  5.0256  92.159  5.0916  7.679520       7.154053 
1 1 1 -10 -22 13 o 101.932 4.9631  1263.97    122.751  0.0000     0.0000   1263.97    122.751  ?       ?       101.932 4.9631  0.000000       4.963068 
1 1 1 -10 -22 14 o 328.205 9.8493  13208.23   784.358  0.0000     0.0000   13208.23   784.358  ?       ?       328.205 9.8493  0.000000       9.849292 
1 1 1 -10 -22 15 o 272.351 8.4662  9069.95    559.473  0.0000     0.0000   9069.95    559.473  ?       ?       272.351 8.4662  0.000000       8.466156 
1 1 1 -10 -22 16 o 184.341 4.4473  4131.62    198.921  4243.43    289.063  4031.04    274.162  186.604 6.3842  181.896 6.2118  4.708038       8.907609 
1 1 1 -10 -22 17 o 281.316 6.0330  9639.61    411.804  9364.38    589.453  9902.02    575.553  276.655 8.7810  284.605 8.3345  -7.949799      12.10664 
1 1 1 -10 -22 18 o 321.360 6.7200  12591.33   523.994  12350.08   748.336  12823.40   733.953  317.412 9.7165  323.561 9.3486  -6.148865      13.48358 
1 1 1 -10 -22 19 o 101.520 3.4126  1251.98    84.062   1288.38    125.175  1222.07    113.451  102.910 5.0130  100.245 4.6642  2.664650       6.847272 
1 1 1 -10 -22 20 o 91.532  3.3291  1017.68    73.939   1088.19    110.992  961.425    99.139   94.461  4.8590  88.797  4.6172  5.663818       6.702887 
1 1 1 -10 -22 21 o 350.683 7.2041  15004.42   612.998  15374.30   874.607  14647.27   859.412  353.985 10.183  345.487 10.252  8.497498       14.44957 
1 1 1 -10 -22 22 o 113.022 3.5027  1551.81    96.057   1816.11    142.528  1331.85    130.021  122.197 4.8070  104.627 5.1216  17.57021       7.024136 
1 1 1 -10 -22 23 o 32.331  6.6200  132.047    50.184   154.239    78.798   116.902    65.093   34.873  9.1850  30.484  8.4873  4.388535       12.50595 
1 1 1 -10 -22 24 o 175.649 6.1976  3758.52    264.138  3744.35    380.860  3771.65    366.641  174.690 9.0160  175.621 8.6040  -0.9304657     12.46266 
1 1 1 -10 -22 25 o 51.346  5.3308  324.249    65.446   297.935    100.267  343.782    86.385   48.618  8.8246  52.650  6.9304  -4.032211      11.22073 
1 1 1 -10 -22 26 o 119.842 5.2120  1747.49    151.559  2018.05    222.978  1515.16    206.627  128.421 7.1847  111.138 7.7100  17.28216       10.53868 
1 1 1 -10 -22 27 o 135.014 3.8592  2215.06    126.427  2089.20    186.910  2321.22    171.652  130.984 5.8810  138.128 5.1216  -7.143417      7.798476 
1 1 1 -10 -22 28 o 71.604  3.3693  622.784    58.539   856.162    90.590   455.464    76.705   83.797  4.4715  60.959  5.2367  22.83843       6.886076 
1 1 1 -10 -22 29 o 297.242 6.3185  10765.51   455.709  10913.32   654.418  10626.36   634.963  298.604 9.0322  294.696 8.8800  3.908569       12.66629 
1 1 1 -10 -22 30 o 216.693 5.0351  5712.63    264.741  5761.64    384.272  5668.35    365.251  217.290 7.2884  215.575 6.9828  1.714844       10.09360 
1 1 1 -10 -22 31 o 44.686  4.3649  245.075    46.723   103.983    74.234   337.634    60.126   29.368  9.2955  52.472  4.7747  -23.10404      10.45008 
1 1 1 -10 -22 32 o 270.933 5.8941  8940.96    387.475  9357.28    559.184  8556.43    537.410  276.623 8.3311  264.510 8.3734  12.11285       11.81189 
1 1 1 -10 -22 33 o 313.969 9.5836  12088.87   730.094  11608.39   1055.58  12529.51   1010.88  305.698 14.231  318.165 13.094  -12.46677      19.33869 
1 1 1 -10 -22 34 o 52.888  6.1568  345.471    77.529   200.095    124.008  438.758    99.337   39.992  11.899  59.555  7.0084  -19.56314      13.80952 
1 1 1 -10 -22 35 o 151.920 5.8301  2812.30    214.910  3086.08    328.471  2607.38    284.175  158.517 8.5718  145.773 8.0656  12.74387       11.76990 
1 1 1 -10 -22 36 o 129.816 3.9620  2048.94    124.797  1942.08    188.453  2132.40    166.548  126.194 6.1546  132.333 5.1869  -6.138298      8.048789 
1 1 1 -10 -22 37 o 115.520 3.8436  1622.56    107.734  1537.76    164.188  1686.67    142.767  112.118 6.0578  117.691 4.9994  -5.573021      7.854394 
1 1 1 -10 -22 38 o 168.522 4.4087  3456.39    180.274  3567.43    268.480  3365.22    243.271  170.895 6.4747  166.055 6.0378  4.840286       8.853035 
1 1 1 -10 -22 39 o 65.956  3.8613  531.008    61.525   433.098    98.691   593.250    78.688   59.077  7.0224  69.632  4.6845  -10.55533      8.441509 
1 1 1 -10 -22 40 o 104.588 3.8141  1331.12    96.791   1163.76    150.218  1449.94    126.567  97.319  6.3971  109.061 4.7829  -11.74163      7.987433 
1 1 1 -10 -22 41 o 46.788  4.2619  268.922    47.853   313.881    80.460   244.316    59.525   50.148  6.7868  44.355  5.6599  5.793312       8.837210 
1 1 1 -10 -22 42 o 8.0355  3.9655  -61.7015   27.920   -61.1835   53.409   -61.8963   32.752   13.306  6.2873  9.1476  4.4693  4.158054       7.713965 
1 1 1 -10 -22 43 o 93.371  3.7612  1062.35    85.212   1055.65    135.149  1066.78    109.783  92.563  6.0507  93.303  4.8661  -0.7403259     7.764687 
1 1 1 -10 -22 44 o 177.149 4.6369  3836.06    199.312  3826.05    298.742  3844.10    267.566  176.077 6.9924  176.798 6.2372  -0.7205658     9.369994 
1 1 1 -10 -22 45 o 106.462 3.9000  1383.28    100.745  1294.07    158.205  1444.13    130.663  102.267 6.4080  108.580 4.9595  -6.313080      8.103028 
1 1 1 -10 -22 46 o 13.074  5.9594  -26.1161   41.770   -66.4074   74.874   -7.9100    50.331   16.464  7.6716  15.941  6.9427  0.5225134      10.34670 
1 1 1 -10 -22 47 o 62.033  5.7656  478.040    85.790   413.159    133.458  523.731    111.995  56.260  10.150  64.525  7.2807  -8.264599      12.49114 
1 1 1 -10 -22 48 o 47.837  6.3383  287.844    71.757   186.384    119.485  345.080    89.744   37.779  11.769  52.177  7.2875  -14.39802      13.84286 
1 1 1 -10 -22 49 o 44.286  4.9082  243.808    51.855   280.825    99.243   229.908    60.817   46.373  9.1449  42.726  6.0343  3.647312       10.95638 
1 1 1 -10 -22 50 o 18.574  7.0162  31.907     43.242   113.529    88.124   6.0219     49.627   30.364  10.165  16.903  7.1132  13.46135       12.40650 
1 1 1 -10 -22 51 o 29.040  6.5875  108.859    45.350   89.361     92.874   114.964    51.967   28.450  10.367  29.759  7.2612  -1.308878      12.65703 
1 1 1 -10 -22 52 o 87.495  5.6902  950.929    120.146  982.515    213.572  936.306    145.321  86.696  10.358  86.306  6.9998  0.3906631      12.50116 
1 1 1 -10 -22 53 o 13.908  6.3462  -29.0356   47.533   -5.1537    110.089  -34.5080   52.699   23.609  10.275  14.484  6.6366  9.124859       12.23195 
1 1 1 -10 -22 54 o 63.870  6.0086  511.850    92.023   574.203    176.384  488.530    107.867  64.996  11.610  61.894  7.3245  3.102356       13.72757 
1 1 1 -10 -22 55 o 60.956  4.9712  462.390    72.886   342.684    183.864  484.708    79.390   48.492  14.503  62.313  5.3011  -13.82151      15.44120 
1 1 1 -10 -22 56 f 18.540  7.0815  31.621     44.359   92.772     96.550   15.258     49.943   28.529  10.542  17.625  7.2525  10.90370       12.79613 
1 1 1 -10 -22 57 o 48.381  5.2344  294.293    60.469   305.738    120.236  290.418    69.961   46.946  10.783  47.734  6.1858  -0.7886276     12.43085 
1 1 1 -10 -22 58 o 49.726  5.1258  310.825    60.960   306.271    126.866  312.192    69.510   46.527  11.341  49.564  5.8955  -3.037304      12.78172 
1 1 1 -10 -22 59 o 39.305  6.9152  201.767    63.542   134.824    152.508  215.829    69.898   33.629  13.055  40.495  7.3859  -6.866768      14.99944 
1 1 1 -10 -22 60 o 27.281  8.2649  98.571     59.431   -31.9205   145.906  124.528    65.074   25.076  11.313  30.378  8.4962  -5.302370      14.14815 
1 1 1 -10 -22 61 o 23.906  9.5206  49.847     82.917   65.318     165.680  44.677     95.775   30.552  12.934  24.621  10.077  5.930599       16.39656 
1 1 1 -10 -22 62 f 17.035  8.4857  -319.4762  139.764  -319.4762  139.764  0.0000     0.0000   17.035  8.4857  ?       ?       0.000000       8.485692 
1 1 1 -10 -22 63 o 42.238  6.9943  232.924    69.174   175.406    162.512  245.651    76.445   36.273  13.623  43.152  7.5776  -6.879074      15.58870 
1 1 1 -10 -22 64 o 40.102  7.1339  211.423    66.871   289.944    155.089  193.490    74.115   43.861  13.365  37.853  8.2982  6.008240       15.73189 
1 1 1 -10 -22 65 o 41.978  10.001  247.783    100.419  434.382    282.226  220.736    107.451  49.296  18.055  39.193  10.902  10.10315       21.09152 
1 1 1 -10 -21 1  o 152.422 8.0587  2845.97    296.981  2845.97    296.981  0.0000     0.0000   152.422 8.0587  ?       ?       0.000000       8.058681 
1 1 1 -10 -21 2  o 241.181 10.773  7144.08    630.413  7144.08    630.413  0.0000     0.0000   241.181 10.773  ?       ?       0.000000       10.77254 
1 1 1 -10 -21 3  o 142.628 5.6085  2476.22    194.095  2262.63    265.365  2721.94    284.630  135.860 8.0864  149.091 7.8962  -13.23051      11.30219 
1 1 1 -10 -21 4  o 187.398 6.5337  4279.77    297.091  4691.79    412.294  3834.77    428.473  195.877 8.6748  176.574 10.042  19.30347       13.27025 
1 1 1 -10 -21 5  o 141.322 3.9694  2427.02    136.114  2708.90    195.195  2160.22    189.903  149.198 5.3919  133.196 5.8759  16.00230       7.974896 
1 1 1 -10 -21 6  o 336.316 7.0208  13794.11   572.924  15100.09   813.067  12506.16   807.436  351.104 9.5439  319.232 10.424  31.87119       14.13321 
1 1 1 -10 -21 7  o 268.947 5.8514  8807.45    381.847  9726.64    542.727  7906.42    537.341  282.204 7.9260  254.256 8.7099  27.94774       11.77643 
1 1 1 -10 -21 8  o 75.082  3.4062  684.769    62.054   694.281    92.178   676.885    83.917   75.375  5.0695  74.462  4.6683  0.9132538      6.891468 
1 1 1 -10 -21 9  f 192.929 4.6589  4526.28    218.092  5100.19    310.987  3970.87    305.933  204.602 6.2642  180.442 6.9876  24.16063       9.384386 
1 1 1 -10 -21 10 o 69.209  3.3686  581.810    56.568   655.505    83.378   518.958    77.000   73.268  4.7151  65.136  4.9081  8.131973       6.805961 
1 1 1 -10 -21 11 o 123.235 3.7151  1845.18    111.088  1924.71    159.334  1769.96    154.962  125.773 5.2211  120.606 5.2953  5.167061       7.436390 
1 1 1 -10 -21 12 o 93.447  4.9055  1065.01    110.838  0.0000     0.0000   1065.01    110.838  ?       ?       93.447  4.9055  0.000000       4.905459 
1 1 1 -10 -21 13 o 222.809 7.2945  6056.25    394.359  0.0000     0.0000   6056.25    394.359  ?       ?       222.809 7.2945  0.000000       7.294495 
1 1 1 -10 -21 14 o 104.729 4.6636  1333.66    118.509  0.0000     0.0000   1333.66    118.509  ?       ?       104.729 4.6636  0.000000       4.663581 
1 1 1 -10 -21 15 o 322.057 6.6754  12641.33   521.646  13300.87   745.002  12006.96   730.644  329.638 9.3144  313.103 9.6173  16.53555       13.38848 
1 1 1 -10 -21 16 o 315.521 6.6150  12132.39   506.433  11946.58   723.182  12311.20   709.425  312.338 9.5424  317.167 9.2184  -4.829102      13.26787 
1 1 1 -10 -21 17 o 91.555  3.3407  1018.12    74.213   956.205    110.727  1068.61    99.997   88.506  5.1787  93.758  4.3955  -5.252731      6.792593 
1 1 1 -10 -21 18 o 227.532 5.1250  6298.02    282.944  6237.98    406.998  6354.19    393.622  226.107 7.4185  228.257 7.1071  -2.149826      10.27349 
1 1 1 -10 -21 19 o 102.154 3.4325  1267.60    85.081   1114.48    126.233  1395.06    115.172  95.540  5.4680  107.123 4.4310  -11.58253      7.037965 
1 1 1 -10 -21 20 f 123.369 3.6309  1849.06    108.690  1900.59    159.930  1804.84    148.165  124.979 5.2739  121.808 5.0131  3.171837       7.276316 
1 1 1 -10 -21 21 o 68.142  3.2691  563.972    54.052   584.342    81.672   548.096    72.101   69.140  4.9001  66.996  4.4609  2.144653       6.626478 
1 1 1 -10 -21 22 o 192.767 4.6220  4518.46    216.187  4265.80    313.136  4748.58    298.835  187.037 6.8999  197.429 6.2382  -10.39174      9.301764 
1 1 1 -10 -21 23 o 78.189  4.8735  746.445    91.999   778.880    137.051  719.843    124.120  79.589  7.1740  76.549  6.7516  3.039413       9.851422 
1 1 1 -10 -21 24 o 274.401 8.4420  9203.79    562.072  8924.85    802.320  9472.62    787.663  269.086 12.288  277.425 11.701  -8.338226      16.96823 
1 1 1 -10 -21 25 o 334.417 9.9365  13708.58   806.279  13466.01   1147.90  13944.80   1132.75  329.612 14.353  335.637 13.909  -6.025085      19.98670 
1 1 1 -10 -21 26 o 143.340 5.6023  2500.88    194.847  2488.14    282.266  2512.47    269.302  142.478 8.1995  143.248 7.7771  -0.7699585     11.30110 
1 1 1 -10 -21 27 o 177.058 4.3881  3811.00    188.519  3791.72    275.298  3828.02    258.689  176.406 6.4317  177.297 6.0133  -0.8905182     8.804887 
1 1 1 -10 -21 28 o 134.508 3.8196  2198.33    124.660  2376.71    184.529  2048.57    169.074  139.749 5.4419  129.749 5.3704  10.00003       7.645630 
1 1 1 -10 -21 29 o 237.909 5.3433  6887.43    308.451  6891.87    445.853  6883.35    427.178  237.597 7.7337  237.510 7.4125  0.8650208E-01  10.71236 
1 1 1 -10 -21 30 o 144.501 3.9800  2537.49    139.548  2720.46    205.695  2381.47    189.945  149.491 5.6708  139.874 5.5967  9.617203       7.967468 
1 1 1 -10 -21 31 o 113.157 9.3438  1578.43    254.254  1635.57    367.333  1525.87    352.278  114.244 13.513  110.314 13.439  3.929474       19.05803 
1 1 1 -10 -21 32 o 90.564  3.6626  996.522    80.484   967.981    121.864  1018.60    107.187  88.987  5.6735  91.383  4.8514  -2.395935      7.464916 
1 1 1 -10 -21 33 o 130.314 5.5457  2067.39    175.351  2013.79    270.214  2106.38    230.468  127.993 8.7533  131.176 7.2693  -3.183693      11.37818 
1 1 1 -10 -21 34 f 181.576 6.4281  4019.23    283.209  4129.13    424.856  3931.34    379.934  183.260 9.5879  179.214 8.7372  4.045547       12.97173 
1 1 1 -10 -21 35 o 202.463 6.9536  5002.59    341.603  4851.01    508.697  5127.08    461.015  198.327 10.609  204.494 9.2912  -6.167679      14.10265 
1 1 1 -10 -21 36 o 128.351 3.8966  2002.60    121.354  2121.77    183.122  1909.27    162.046  131.965 5.7190  125.217 5.3335  6.747993       7.820017 
1 1 1 -10 -21 37 o 135.663 4.0321  2237.94    132.725  2206.38    200.205  2262.68    177.281  134.502 6.1345  136.292 5.3608  -1.790009      8.146812 
1 1 1 -10 -21 38 o 153.179 4.2088  2854.42    156.432  2991.35    234.268  2744.23    210.150  156.567 6.1667  150.014 5.7734  6.552704       8.447490 
1 1 1 -10 -21 39 o 149.041 4.1929  2703.08    151.629  2725.97    228.111  2684.96    202.958  149.388 6.2931  148.359 5.6380  1.028610       8.449330 
1 1 1 -10 -21 40 o 10.076  4.7720  -37.4001   31.097   58.015     56.677   -78.4973   37.197   23.140  8.1384  9.4183  4.6342  13.72134       9.365350 
1 1 1 -10 -21 41 o 101.890 3.7899  1263.59    93.696   1233.51    146.339  1284.49    121.976  100.241 6.0449  102.617 4.8988  -2.376053      7.780684 
1 1 1 -10 -21 42 o 44.947  4.4217  248.680    47.599   201.137    79.595   275.148    59.388   39.612  8.5333  47.164  5.2801  -7.552750      10.03476 
1 1 1 -10 -21 43 o 112.236 3.9069  1535.20    106.397  1473.06    164.099  1580.27    139.753  109.395 6.2078  113.697 5.0658  -4.301910      8.012434 
1 1 1 -10 -21 44 o 196.200 4.8700  4707.50    231.840  4805.41    344.956  4626.85    313.097  197.302 7.2056  193.846 6.6567  3.456039       9.809779 
1 1 1 -10 -21 45 o 131.024 4.0913  2095.91    130.070  2097.35    200.597  2094.87    170.854  130.497 6.3352  130.690 5.3879  -0.1931610     8.316499 
1 1 1 -10 -21 46 o 58.461  5.7424  424.217    80.405   348.700    126.620  475.246    104.084  51.606  10.470  61.562  7.0981  -9.955795      12.64922 
1 1 1 -10 -21 47 o 27.494  8.0624  96.263     57.277   77.523     92.536   107.902    72.925   27.630  10.299  29.321  9.2045  -1.690207      13.81271 
1 1 1 -10 -21 48 o 96.846  5.5818  1158.88    130.609  1270.50    198.437  1073.57    173.485  100.386 8.2189  92.399  7.8112  7.986145       11.33860 
1 1 1 -10 -21 49 o 123.180 4.1422  1857.11    123.804  1722.56    194.143  1949.33    160.724  117.565 6.8353  125.863 5.2628  -8.297653      8.626642 
1 1 1 -10 -21 50 o 68.018  4.2450  568.837    69.710   423.291    120.362  642.300    85.511   57.256  8.9573  72.136  4.9148  -14.87972      10.21707 
1 1 1 -10 -21 51 o 36.376  5.9395  167.691    50.615   127.535    93.452   184.360    60.210   31.849  10.460  37.963  6.7856  -6.113817      12.46821 
1 1 1 -10 -21 52 f 68.943  5.8438  592.339    96.836   566.382    179.231  603.041    115.078  64.887  11.819  69.195  6.9480  -4.308273      13.71033 
1 1 1 -10 -21 53 o 30.887  8.3447  125.024    64.019   394.541    129.002  36.960     73.740   54.535  10.122  22.476  8.9696  32.05975       13.52401 
1 1 1 -10 -21 54 o 12.947  6.0569  -44.7410   47.419   66.930     111.543  -69.3747   52.389   27.902  11.064  12.632  6.0418  15.27042       12.60641 
1 1 1 -10 -21 55 o 92.579  4.2240  1054.09    94.885   962.638    164.118  1100.01    116.291  86.722  7.8856  94.150  5.1097  -7.428101      9.396377 
1 1 1 -10 -21 56 o 42.329  5.6361  226.725    56.448   218.491    111.601  229.556    65.436   39.754  11.129  42.290  6.5918  -2.536629      12.93483 
1 1 1 -10 -21 57 o 43.582  5.3871  239.759    55.753   188.196    115.738  255.341    63.622   36.924  11.596  44.792  6.0051  -7.867775      13.05906 
1 1 1 -10 -21 58 o 25.356  7.1454  84.275     45.847   71.432     102.677  87.474     51.238   27.127  10.660  25.851  7.6384  1.276194       13.11434 
1 1 1 -10 -21 59 o 36.809  7.7509  180.188    67.039   177.346    170.273  180.710    72.929   36.761  13.914  36.636  8.3852  0.1251068      16.24528 
1 1 1 -10 -21 60 o 17.848  7.6825  1.6011     60.196   149.676    143.211  -30.1751   66.342   34.200  12.800  16.703  7.5734  17.49772       14.87231 
1 1 1 -10 -21 61 o 64.820  14.832  644.476    228.221  644.476    228.221  0.0000     0.0000   64.820  14.832  ?       ?       0.000000       14.83171 
1 1 1 -10 -21 62 o 22.472  10.645  -136.9058  154.893  -136.9058  154.893  0.0000     0.0000   22.472  10.645  ?       ?       0.000000       10.64492 
1 1 1 -10 -21 63 o 18.814  7.7519  19.112     57.152   -103.0302  140.301  43.412     62.579   22.142  10.377  21.566  8.3653  0.5756569      13.32909 
1 1 1 -10 -21 64 o 16.828  7.3602  -6.2505    57.108   -29.0057   141.238  -1.8031    62.440   24.757  11.154  17.886  7.7611  6.871527       13.58814 
1 1 1 -10 -21 65 o 17.816  8.1402  -38.9394   78.526   -275.3907  257.745  -14.7464   82.445   26.533  12.867  19.553  8.6852  6.980434       15.52367 
1 1 1 -10 -20 1  o 107.456 6.9488  1413.64    180.208  1413.64    180.208  0.0000     0.0000   107.456 6.9488  ?       ?       0.000000       6.948783 
1 1 1 -10 -20 2  o 149.362 5.7090  2715.65    206.902  2450.26    283.656  3017.37    302.453  141.374 8.3056  156.994 7.9659  -15.62067      11.50821 
1 1 1 -10 -20 3  o 116.580 5.2014  1653.46    147.131  1939.33    202.265  1332.22    214.416  125.973 6.6407  104.052 8.5689  21.92131       10.84089 
1 1 1 -10 -20 4  o 131.545 5.3850  2105.66    171.880  2112.91    236.876  2097.58    249.787  131.382 7.4613  130.832 7.9056  0.5502625      10.87062 
1 1 1 -10 -20 5  o 143.852 5.6223  2518.84    196.243  2643.88    271.613  2382.29    283.849  146.979 7.6424  139.362 8.4339  7.616776       11.38145 
1 1 1 -10 -20 6  o 173.499 6.2070  3666.81    261.304  3939.84    363.352  3374.36    376.054  179.551 8.3402  165.748 9.3891  13.80278       12.55845 
1 1 1 -10 -20 7  o 146.225 4.0068  2598.42    142.163  2796.61    203.912  2410.98    198.303  151.584 5.5440  140.723 5.8077  10.86070       8.029022 
1 1 1 -10 -20 8  o 85.590  3.4132  889.826    70.885   992.747    103.673  799.471    97.138   90.230  4.7521  80.923  4.9712  9.306946       6.877178 
1 1 1 -10 -20 9  f 162.204 4.2227  3197.69    166.192  3672.81    237.571  2742.36    232.571  173.715 5.6363  150.038 6.3883  23.67628       8.519313 
1 1 1 -10 -20 10 o 76.151  3.3615  704.319    62.111   730.360    90.586   681.213    85.326   77.348  4.8512  74.702  4.7319  2.646507       6.776824 
1 1 1 -10 -20 11 o 153.944 5.7195  2884.23    213.640  0.0000     0.0000   2884.23    213.640  ?       ?       153.944 5.7195  0.000000       5.719485 
1 1 1 -10 -20 12 o 253.919 7.8577  7867.89    484.125  0.0000     0.0000   7867.89    484.125  ?       ?       253.919 7.8577  0.000000       7.857746 
1 1 1 -10 -20 13 o 123.080 4.9208  1841.99    146.954  0.0000     0.0000   1841.99    146.954  ?       ?       123.080 4.9208  0.000000       4.920750 
1 1 1 -10 -20 14 o 187.680 4.4313  4281.11    201.796  4946.02    293.153  3682.31    278.199  201.577 5.9936  173.869 6.5943  27.70824       8.911149 
1 1 1 -10 -20 15 o 479.488 9.5970  28129.39   1116.55  28084.32   1586.07  28173.66   1572.10  477.023 13.703  477.866 13.558  -0.8434753     19.27713 
1 1 1 -10 -20 16 o 184.841 4.4149  4152.51    198.009  4308.08    286.675  4010.58    273.822  188.098 6.2812  181.494 6.2179  6.604126       8.838275 
1 1 1 -10 -20 17 o 123.656 3.6086  1857.34    108.272  1950.75    159.071  1776.70    147.790  126.646 5.1765  120.872 5.0391  5.773628       7.224190 
1 1 1 -10 -20 18 o 257.967 5.6013  8097.48    350.601  8191.52    502.679  8008.40    489.243  259.062 7.9969  256.174 7.8709  2.887939       11.22060 
1 1 1 -10 -20 19 o 152.899 3.9658  2840.55    147.130  3019.81    214.672  2681.74    202.048  157.530 5.6163  148.451 5.6093  9.078903       7.937685 
1 1 1 -10 -20 20 o 79.366  3.3117  765.015    63.775   680.344    95.904   832.140    85.391   74.592  5.3340  82.635  4.2734  -8.043030      6.834752 
1 1 1 -10 -20 21 f 166.034 4.2452  3350.53    171.025  2999.03    248.805  3665.38    235.476  156.889 6.5359  173.544 5.5921  -16.65543      8.601683 
1 1 1 -10 -20 22 o 88.849  3.3584  958.820    72.402   987.836    108.123  935.234    97.485   89.985  4.9714  87.584  4.6033  2.400444       6.775326 
1 1 1 -10 -20 23 o 135.226 3.8149  2221.84    125.172  2183.63    184.069  2254.71    170.723  133.937 5.6639  136.137 5.1683  -2.200394      7.667569 
1 1 1 -10 -20 24 o 183.033 6.3410  4081.46    281.612  3997.18    404.637  4160.62    392.175  180.474 9.2716  184.449 8.7627  -3.975739      12.75730 
1 1 1 -10 -20 25 o 144.809 5.6048  2552.31    196.932  2623.47    285.683  2487.89    271.841  146.340 8.0769  142.528 7.8912  3.811401       11.29191 
1 1 1 -10 -20 26 o 136.083 5.4795  2253.60    180.928  2373.74    262.663  2145.13    249.579  139.228 7.8066  132.332 7.8074  6.896194       11.04078 
1 1 1 -10 -20 27 o 124.028 5.3136  1871.64    159.909  1817.96    232.003  1920.21    220.711  121.775 7.8944  125.259 7.2935  -3.484314      10.74785 
1 1 1 -10 -20 28 o 137.501 3.8594  2297.23    128.764  2474.58    190.288  2147.42    174.884  142.599 5.4996  132.844 5.4256  9.754990       7.725452 
1 1 1 -10 -20 29 o 108.681 3.6027  1434.89    95.004   1478.76    142.991  1400.22    127.118  110.243 5.3456  107.301 4.8825  2.941780       7.239711 
1 1 1 -10 -20 30 o 149.865 4.0502  2729.41    147.278  2851.17    217.699  2626.65    199.992  153.031 5.8629  146.904 5.6107  6.127045       8.115017 
1 1 1 -10 -20 31 o 212.570 5.0280  5496.40    259.336  5208.67    376.444  5756.32    357.781  206.598 7.5095  217.304 6.7856  -10.70609      10.12109 
1 1 1 -10 -20 32 o 129.610 3.8990  2041.32    122.618  1985.41    183.490  2086.42    164.823  127.689 5.9224  130.953 5.1873  -3.264366      7.872871 
1 1 1 -10 -20 33 o 215.869 7.2867  5686.10    381.668  5223.92    562.975  6079.19    519.199  205.780 11.319  222.735 9.6068  -16.95541      14.84601 
1 1 1 -10 -20 34 o 66.613  5.3749  543.562    86.136   504.985    143.574  565.255    107.663  63.494  9.6205  67.772  6.6322  -4.277462      11.68506 
1 1 1 -10 -20 35 o 203.900 7.0114  5072.99    346.883  4872.38    516.963  5237.29    467.841  198.778 10.758  206.719 9.3272  -7.941071      14.23868 
1 1 1 -10 -20 36 o 281.918 8.6715  9732.38    593.169  10090.87   866.946  9416.84    813.353  285.638 12.509  276.086 12.141  9.552246       17.43224 
1 1 1 -10 -20 37 o 83.772  3.7380  852.975    75.980   944.347    119.840  791.558    98.252   87.860  5.6514  80.480  5.0571  7.379875       7.583756 
1 1 1 -10 -20 38 o 99.232  3.7150  1197.06    89.450   1420.50    139.294  1040.26    116.689  107.984 5.3163  92.267  5.2337  15.71643       7.460233 
1 1 1 -10 -20 39 o 20.575  6.5425  50.710     36.742   9.7017     64.628   70.295     44.661   19.599  8.1736  23.856  7.1507  -4.256670      10.85998 
1 1 1 -10 -20 40 o 100.642 3.7569  1232.09    91.743   1416.16    142.897  1103.01    119.662  107.600 5.4916  94.968  5.2129  12.63145       7.571779 
1 1 1 -10 -20 41 o 123.884 3.9562  1868.22    118.921  1904.33    182.492  1841.57    156.781  124.798 6.0266  122.838 5.2601  1.959496       7.999279 
1 1 1 -10 -20 42 o 106.879 3.8435  1390.95    99.675   1368.56    154.516  1406.90    130.444  105.560 6.0580  107.353 5.0078  -1.793045      7.859892 
1 1 1 -10 -20 43 o 64.593  3.9388  510.284    61.437   440.590    100.019  552.515    77.857   59.440  7.0738  67.094  4.8145  -7.654461      8.556772 
1 1 1 -10 -20 44 o 101.914 3.8454  1266.15    95.092   1303.11    149.859  1241.23    123.035  102.863 6.0306  100.735 5.0337  2.128410       7.855328 
1 1 1 -10 -20 45 o 22.639  6.6640  64.251     39.065   55.928     67.302   68.480     47.974   23.752  8.7970  23.657  7.4710  0.9540749E-01  11.54139 
1 1 1 -10 -20 46 o 75.421  5.5896  702.543    101.563  589.870    155.124  787.080    134.367  67.842  9.6997  79.457  7.0424  -11.61514      11.98659 
1 1 1 -10 -20 47 o 85.933  5.5300  911.633    114.692  871.819    175.792  941.142    151.339  82.912  8.8761  86.788  7.2532  -3.876167      11.46268 
1 1 1 -10 -20 48 o 66.996  5.7072  556.804    91.891   628.845    144.487  507.876    119.075  70.280  8.6559  63.313  7.9248  6.967392       11.73569 
1 1 1 -10 -20 49 o 11.659  5.3478  -24.1561   34.335   6.4767     66.778   -35.1648   40.032   19.425  8.2170  12.122  5.6353  7.303407       9.963685 
1 1 1 -10 -20 50 o 122.224 4.2438  1829.44    125.855  1664.88    201.281  1935.08    161.269  115.373 7.2266  125.376 5.3012  -10.00343      8.962461 
1 1 1 -10 -20 51 o 64.850  4.3366  517.712    67.844   676.763    119.387  441.852    82.451   73.481  6.7723  59.541  5.7799  13.93958       8.903461 
1 1 1 -10 -20 52 o 21.089  7.7944  45.053     52.781   -83.8974   92.565   107.178    64.250   18.069  8.4560  28.850  8.5606  -10.78023      12.03276 
1 1 1 -10 -20 53 o 64.866  5.9502  525.926    92.608   614.160    176.102  492.198    108.879  67.898  11.071  62.257  7.3493  5.640720       13.28806 
1 1 1 -10 -20 54 o 64.471  6.0064  520.913    92.879   634.512    179.203  479.190    108.604  68.796  11.114  61.286  7.4571  7.510113       13.38423 
1 1 1 -10 -20 55 o 63.002  4.6256  491.817    70.216   483.574    131.569  495.099    83.029   60.660  9.2301  62.947  5.4911  -2.286858      10.73995 
1 1 1 -10 -20 56 o 23.556  7.4299  70.050     47.459   152.139    103.952  48.435     53.342   33.869  11.028  21.361  7.8457  12.50862       13.53379 
1 1 1 -10 -20 57 o 21.341  7.8789  48.200     53.902   116.150    102.577  22.281     63.354   30.656  10.931  19.942  8.1829  10.71375       13.65433 
1 1 1 -10 -20 58 o 26.673  8.0712  93.083     56.703   168.685    106.533  63.198     66.979   35.077  11.139  23.892  8.7890  11.18500       14.18897 
1 1 1 -10 -20 59 o 21.524  8.3000  43.881     61.325   88.393     152.782  35.332     66.956   31.164  12.738  21.331  8.5352  9.833694       15.33327 
1 1 1 -10 -20 60 o 28.827  11.736  72.354     129.054  72.354     129.054  0.0000     0.0000   28.827  11.736  ?       ?       0.000000       11.73639 
1 1 1 -10 -20 61 o 52.893  14.294  426.174    187.807  426.174    187.807  0.0000     0.0000   52.893  14.294  ?       ?       0.000000       14.29384 
1 1 1 -10 -20 62 o 38.650  10.063  207.127    95.301   163.385    178.889  224.461    112.611  36.257  14.121  39.835  11.189  -3.577873      18.01693 
1 1 1 -10 -20 63 o 30.094  8.6725  121.761    66.791   138.202    159.119  118.245    73.587   34.113  13.309  29.749  9.2311  4.363306       16.19728 
1 1 1 -10 -20 64 o 24.958  8.8532  75.076     67.208   177.444    154.834  51.311     74.602   36.175  13.354  23.310  9.1081  12.86490       16.16431 
1 1 1 -10 -20 65 o 31.390  10.834  132.303    100.207  -111.8773  355.051  153.437    104.453  34.224  16.184  33.270  11.065  0.9534607      19.60475 
1 1 1 -10 -19 1  o 244.826 5.5002  7294.08    326.741  7153.41    465.098  7431.15    459.122  242.059 7.9188  246.762 7.6681  -4.702789      11.02302 
1 1 1 -10 -19 2  o 137.666 5.5142  2306.35    184.193  2485.03    254.141  2108.63    267.337  142.540 7.3733  131.096 8.4494  11.44370       11.21420 
1 1 1 -10 -19 3  o 197.807 6.6440  4768.45    318.885  4479.16    443.575  5077.88    458.751  191.254 9.5586  203.689 9.2821  -12.43521      13.32380 
1 1 1 -10 -19 4  f 395.937 11.567  19280.67   1111.23  19757.26   1563.51  18794.18   1579.66  398.222 16.181  388.012 16.779  10.20953       23.30992 
1 1 1 -10 -19 5  o 135.966 5.4401  2249.56    179.473  2174.17    248.372  2331.95    259.629  133.247 7.7151  138.001 7.7855  -4.753952      10.96068 
1 1 1 -10 -19 6  o 128.727 5.3436  2016.05    166.904  2123.73    231.586  1899.67    240.756  131.764 7.2717  124.484 8.0133  7.279968       10.82086 
1 1 1 -10 -19 7  o 207.221 6.9386  5233.69    348.876  5857.02    488.352  4583.97    498.579  218.834 9.1972  193.039 10.686  25.79478       14.09898 
1 1 1 -10 -19 8  o 316.176 9.5298  12230.00   731.098  13173.08   1028.54  11266.87   1039.41  326.983 12.964  301.944 14.187  25.03870       19.21807 
1 1 1 -10 -19 9  o 97.466  3.4824  1153.73    82.355   1251.59    118.785  1063.16    114.280  101.464 4.8249  93.369  5.0633  8.095131       6.993995 
1 1 1 -10 -19 10 o 88.013  4.7442  944.325    100.941  0.0000     0.0000   944.325    100.941  ?       ?       88.013  4.7442  0.000000       4.744213 
1 1 1 -10 -19 11 o 248.595 7.6371  7534.12    460.664  0.0000     0.0000   7534.12    460.664  ?       ?       248.595 7.6371  0.000000       7.637094 
1 1 1 -10 -19 12 o 168.825 5.8168  3467.43    238.280  0.0000     0.0000   3467.43    238.280  ?       ?       168.825 5.8168  0.000000       5.816814 
1 1 1 -10 -19 13 o 174.876 4.2575  3715.59    180.657  4070.46    262.134  3394.56    249.322  182.914 5.9063  167.019 6.1522  15.89522       8.528384 
1 1 1 -10 -19 14 o 348.509 7.1481  14795.41   604.460  15081.79   861.642  14517.90   848.188  351.154 10.113  344.517 10.147  6.636475       14.32541 
1 1 1 -10 -19 15 o 353.682 7.2739  15240.05   624.228  15288.72   889.567  15192.83   876.169  353.481 10.372  352.406 10.247  1.074432       14.57959 
1 1 1 -10 -19 16 o 171.248 4.2240  3562.92    175.515  3675.82    254.393  3460.36    242.468  173.811 6.0320  168.648 5.9253  5.162109       8.455434 
1 1 1 -10 -19 17 o 178.679 4.3800  3879.37    189.895  3667.30    274.913  4072.89    262.614  173.561 6.5280  182.964 5.9155  -9.402573      8.809494 
1 1 1 -10 -19 18 o 256.704 5.5894  8015.52    348.144  8056.92    499.183  7976.32    485.791  257.014 8.0046  255.755 7.8282  1.259033       11.19617 
1 1 1 -10 -19 19 o 89.999  3.3267  983.603    72.647   1136.52    108.539  859.507    97.778   96.699  4.6259  83.948  4.8205  12.75053       6.681041 
1 1 1 -10 -19 20 o 96.863  3.4419  1139.49    80.895   879.571    120.429  1353.20    109.199  84.813  5.8885  105.527 4.2647  -20.71320      7.270627 
1 1 1 -10 -19 21 o 323.001 6.8235  12711.79   534.780  11955.91   763.800  13438.66   749.004  312.461 10.074  331.495 9.3120  -19.03378      13.71887 
1 1 1 -10 -19 22 o 202.813 4.7517  5001.08    233.837  4963.65    338.114  5035.39    323.743  201.810 6.9049  203.308 6.5627  -1.497742      9.526077 
1 1 1 -10 -19 23 f 120.164 3.6340  1754.09    105.957  1844.01    156.779  1678.48    143.757  123.119 5.2481  117.475 5.0433  5.643562       7.278570 
1 1 1 -10 -19 24 o 145.988 5.5912  2593.81    198.053  2889.10    286.700  2324.27    273.917  153.859 7.6796  137.700 8.2360  16.15915       11.26093 
1 1 1 -10 -19 25 o 405.422 11.750  20222.02   1155.91  20302.46   1641.04  20142.80   1628.43  403.334 16.768  401.789 16.703  1.545746       23.66821 
1 1 1 -10 -19 26 o 202.796 6.7347  5012.35    331.390  5574.29    474.757  4478.39    462.785  213.446 9.1668  190.905 10.026  22.54117       13.58485 
1 1 1 -10 -19 27 f 136.256 5.4945  2259.21    181.654  2213.52    262.694  2301.08    251.470  134.396 8.0934  137.120 7.5878  -2.723846      11.09403 
1 1 1 -10 -19 28 f 228.296 5.1871  6340.04    287.334  6400.56    415.265  6284.45    397.990  229.054 7.4718  227.007 7.2255  2.046478       10.39400 
1 1 1 -10 -19 29 o 317.188 6.7120  12260.56   516.573  12084.37   740.052  12427.98   721.394  314.135 9.7092  318.683 9.3293  -4.548523      13.46491 
1 1 1 -10 -19 30 f 304.699 6.5019  11311.16   480.704  11210.63   689.764  11406.09   670.290  302.651 9.3928  305.375 9.0462  -2.723633      13.04061 
1 1 1 -10 -19 31 o 88.920  3.5631  960.483    76.877   979.216    117.053  946.274    101.946  89.546  5.4127  88.085  4.7878  1.460785       7.226421 
1 1 1 -10 -19 32 o 109.411 3.7327  1454.39    99.094   1511.60    149.575  1409.63    132.292  111.448 5.5313  107.650 5.0647  3.797310       7.499738 
1 1 1 -10 -19 33 o 148.688 4.1349  2686.99    149.177  2682.68    221.729  2690.56    201.636  148.407 6.1575  148.677 5.5894  -0.2697144     8.315995 
1 1 1 -10 -19 34 o 101.385 5.2279  1254.04    128.170  1475.96    205.145  1111.96    164.152  109.673 7.7591  95.208  7.1581  14.46449       10.55664 
1 1 1 -10 -19 35 o 143.831 5.8676  2519.54    204.776  2422.41    314.787  2590.80    269.624  140.323 9.2981  145.453 7.6667  -5.130768      12.05120 
1 1 1 -10 -19 36 o 283.521 8.7619  9841.49    602.761  10000.75   880.874  9701.25    826.580  284.361 12.767  280.321 12.152  4.039246       17.62591 
1 1 1 -10 -19 37 o 144.189 4.1576  2527.90    145.459  2398.11    218.127  2631.84    195.197  140.226 6.4109  147.005 5.4724  -6.779007      8.428885 
1 1 1 -10 -19 38 o 51.291  4.1783  322.058    51.548   420.838    85.198   265.015    64.744   58.432  6.0990  46.256  5.9031  12.17631       8.487947 
1 1 1 -10 -19 39 o 75.360  3.8269  692.336    69.747   547.506    109.442  791.389    90.508   66.587  6.8726  80.497  4.6537  -13.90992      8.300031 
1 1 1 -10 -19 40 o 251.770 5.6624  7734.38    345.912  8041.34    504.368  7461.77    475.312  255.947 8.1214  246.613 7.9432  9.333481       11.36015 
1 1 1 -10 -19 41 o 180.221 4.5881  3957.59    200.634  4264.98    298.931  3705.62    270.651  186.656 6.6003  174.031 6.4094  12.62593       9.200254 
1 1 1 -10 -19 42 o 170.108 4.5626  3528.12    188.322  3262.25    281.120  3744.56    253.648  162.998 7.1080  174.939 5.9756  -11.94086      9.286084 
1 1 1 -10 -19 43 o 88.467  3.7945  953.270    81.452   1032.33    130.437  902.735    104.283  91.623  5.8986  85.818  5.0301  5.804626       7.752080 
1 1 1 -10 -19 44 o 57.952  4.1122  411.638    57.449   478.788    95.849   373.991    71.768   62.094  6.4562  55.004  5.4492  7.090057       8.448407 
1 1 1 -10 -19 45 o 125.034 4.0876  1907.90    124.010  1786.01    191.760  1995.53    162.583  120.233 6.5983  127.628 5.2501  -7.395210      8.432136 
1 1 1 -10 -19 46 o 110.076 4.8201  1483.52    128.739  1523.37    167.115  1425.34    201.911  111.041 6.2276  106.832 7.8440  4.208710       10.01562 
1 1 1 -10 -19 47 o 173.367 6.6366  3716.01    279.174  3637.21    409.390  3784.50    381.688  169.252 10.013  173.317 9.1081  -4.065445      13.53600 
1 1 1 -10 -19 48 o 155.077 6.3324  2972.20    238.275  3015.88    353.259  2935.74    322.746  154.208 9.4871  152.631 8.7513  1.576477       12.90699 
1 1 1 -10 -19 49 o 58.563  4.2071  421.806    59.383   498.292    102.882  383.593    72.720   63.023  6.8376  55.567  5.4641  7.455330       8.752636 
1 1 1 -10 -19 50 o 69.298  4.3209  590.384    72.291   417.578    125.849  675.486    88.316   56.717  9.4792  73.996  4.9474  -17.27870      10.69266 
1 1 1 -10 -19 51 o 59.410  4.4801  435.202    64.106   442.432    117.133  432.110    76.596   58.737  8.4629  58.981  5.4126  -0.2434387     10.04574 
1 1 1 -10 -19 52 o 71.994  4.2992  637.677    74.758   590.420    130.334  660.850    91.265   68.090  8.0441  73.069  5.1812  -4.978798      9.568327 
1 1 1 -10 -19 53 o 21.887  8.0694  49.358     56.505   -17.7729   131.863  64.457     62.537   25.192  11.097  23.982  8.5366  1.210005       14.00039 
1 1 1 -10 -19 54 o 83.168  5.9375  863.264    119.030  762.650    223.100  903.300    140.734  74.526  12.799  84.671  6.9104  -10.14585      14.54508 
1 1 1 -10 -19 55 o 77.418  4.5047  740.501    84.255   738.665    146.133  741.416    103.120  75.852  8.0636  77.110  5.5486  -1.258438      9.788193 
1 1 1 -10 -19 56 o 15.116  6.7590  -18.5572   50.801   -5.2586    96.383   -23.6728   59.779   21.990  9.5914  16.227  7.2883  5.763391       12.04632 
1 1 1 -10 -19 57 o 38.501  7.0089  192.680    63.064   -40.0579   115.482  291.579    75.280   22.254  10.050  47.687  6.6900  -25.43377      12.07308 
1 1 1 -10 -19 58 o 33.885  7.6230  152.170    61.158   187.288    114.265  138.071    72.401   36.750  11.519  32.023  8.9637  4.727127       14.59595 
1 1 1 -10 -19 59 o 36.469  7.2881  175.073    62.236   250.215    134.634  154.653    70.185   41.671  12.398  33.863  8.5426  7.808582       15.05631 
1 1 1 -10 -19 60 o 30.459  12.160  92.917     135.574  92.917     135.574  0.0000     0.0000   30.459  12.160  ?       ?       0.000000       12.16010 
1 1 1 -10 -19 61 o 66.942  7.6181  581.596    121.536  698.410    200.605  513.855    152.764  70.140  12.232  61.020  10.708  9.119785       16.25701 
1 1 1 -10 -19 62 o 54.520  8.4469  393.311    108.127  544.279    188.820  319.650    131.893  61.111  13.126  47.414  11.567  13.69703       17.49513 
1 1 1 -10 -19 63 o 75.018  5.2274  704.998    94.557   750.278    195.362  691.145    108.058  73.430  11.329  73.866  6.0831  -0.4357986     12.85920 
1 1 1 -10 -19 64 o 26.443  8.6169  90.529     63.466   89.321     156.425  90.767     69.438   31.219  12.839  26.688  9.0225  4.530760       15.69263 
1 1 1 -10 -19 65 o 48.251  10.198  325.939    115.661  1164.39    373.862  237.198    121.628  80.727  19.341  40.334  11.726  40.39312       22.61775 
1 1 1 -10 -18 1  o 122.193 3.7489  1813.99    111.151  1971.63    160.598  1669.06    153.994  127.309 5.1990  117.120 5.4188  10.18892       7.509533 
1 1 1 -10 -18 2  o 380.923 7.8027  17711.81   721.183  18870.61   1022.82  16566.10   1017.02  392.114 10.750  367.122 11.417  24.99222       15.68182 
1 1 1 -10 -18 3  o 202.033 4.8153  4963.36    236.051  5250.12    336.466  4685.43    331.249  207.566 6.6807  196.049 6.9635  11.51743       9.649953 
1 1 1 -10 -18 4  o 78.704  4.7269  755.822    89.852   818.438    123.817  686.166    130.593  81.739  6.2912  74.662  7.3021  7.077049       9.638481 
1 1 1 -10 -18 5  f 107.630 4.9975  1408.65    130.511  1348.45    180.811  1474.14    188.574  104.939 7.1436  109.746 7.1200  -4.806534      10.08589 
1 1 1 -10 -18 6  f 308.600 9.3574  11642.70   700.672  12964.04   985.580  10292.45   996.305  324.667 12.511  288.715 14.222  35.95251       18.94169 
1 1 1 -10 -18 7  o 169.009 6.1168  3476.22    250.840  3860.63    350.579  3073.00    359.055  177.898 8.1218  158.299 9.3899  19.59840       12.41511 
1 1 1 -10 -18 8  o 70.863  4.7997  613.121    82.041   711.429    114.075  507.796    118.076  76.209  6.2234  64.083  7.7513  12.12512       9.940495 
1 1 1 -10 -18 9  o 102.690 7.2888  1290.86    180.432  0.0000     0.0000   1290.86    180.432  ?       ?       102.690 7.2888  0.000000       7.288753 
1 1 1 -10 -18 10 o 96.246  4.4977  1125.49    105.036  0.0000     0.0000   1125.49    105.036  ?       ?       96.246  4.4977  0.000000       4.497677 
1 1 1 -10 -18 11 o 369.583 10.657  16703.53   955.633  0.0000     0.0000   16703.53   955.633  ?       ?       369.583 10.657  0.000000       10.65653 
1 1 1 -10 -18 12 o 298.868 6.2797  10865.91   455.390  11287.58   650.721  10461.17   637.519  304.215 8.8156  292.839 8.9722  11.37579       12.57837 
1 1 1 -10 -18 13 o 135.640 3.6859  2234.13    121.309  2581.21    177.079  1927.21    166.521  145.740 5.0076  125.911 5.4506  19.82875       7.401630 
1 1 1 -10 -18 14 o 73.528  3.1700  656.352    56.556   573.927    84.182   724.160    76.353   68.532  5.0990  77.107  4.0957  -8.575714      6.540236 
1 1 1 -10 -18 15 o 132.725 3.6784  2139.13    118.461  2477.10    173.234  1842.28    162.352  142.770 5.0007  123.106 5.4352  19.66456       7.385681 
1 1 1 -10 -18 16 o 304.619 6.4210  11289.51   474.594  11195.55   677.813  11379.89   664.734  302.896 9.2226  305.427 8.9697  -2.531433      12.86511 
1 1 1 -10 -18 17 o 387.693 7.8637  18314.41   739.738  18733.84   1053.11  17905.89   1039.32  391.270 11.093  382.495 11.199  8.775360       15.76239 
1 1 1 -10 -18 18 f 86.633  3.3229  911.271    69.850   830.494    104.037  977.571    94.253   82.491  5.2247  89.704  4.3303  -7.213028      6.785988 
1 1 1 -10 -18 19 o 109.681 3.5171  1460.83    93.601   1397.31    138.396  1514.39    127.072  107.205 5.3204  111.633 4.6913  -4.427773      7.093319 
1 1 1 -10 -18 20 o 72.605  3.3123  640.096    58.352   569.790    87.835   695.638    78.070   68.246  5.3470  75.547  4.2765  -7.301079      6.846814 
1 1 1 -10 -18 21 o 168.953 4.2758  3468.40    175.287  3281.75    254.814  3636.07    241.507  164.190 6.3961  172.882 5.7573  -8.692322      8.605580 
1 1 1 -10 -18 22 o 308.715 6.5257  11605.64   488.817  11401.12   699.015  11801.35   683.820  305.363 9.4342  310.769 9.0686  -5.405182      13.08602 
1 1 1 -10 -18 23 o 122.688 3.6467  1828.40    108.559  1876.60    160.127  1787.39    147.678  124.209 5.3131  121.238 5.0201  2.971451       7.309596 
1 1 1 -10 -18 24 o 83.506  3.3853  846.934    68.593   810.872    103.840  874.850    91.363   81.475  5.2810  84.720  4.4602  -3.244835      6.912497 
1 1 1 -10 -18 25 o 209.219 6.9112  5335.55    350.848  5203.09    501.316  5462.71    491.187  206.072 10.026  211.240 9.5831  -5.168274      13.86928 
1 1 1 -10 -18 26 o 385.942 11.239  18298.68   1052.46  18491.12   1493.84  18109.02   1483.02  385.528 15.969  381.493 16.021  4.034973       22.62072 
1 1 1 -10 -18 27 f 117.819 5.2458  1688.68    149.965  1475.72    217.331  1882.23    207.197  109.621 8.2309  124.075 6.9097  -14.45432      10.74673 
1 1 1 -10 -18 28 o 185.258 4.5357  4172.15    203.884  4253.34    297.044  4099.82    280.350  186.848 6.5519  183.474 6.2974  3.373840       9.087635 
1 1 1 -10 -18 29 o 266.127 5.8287  8620.79    376.378  8656.88    541.774  8587.12    523.266  266.214 8.3873  265.194 8.1320  1.020660       11.68230 
1 1 1 -10 -18 30 o 89.072  3.5121  963.683    75.904   1027.15    115.586  915.562    100.648  91.744  5.2138  86.641  4.8064  5.103226       7.091249 
1 1 1 -10 -18 31 o 212.288 5.0382  5481.09    259.515  5244.50    377.150  5693.84    357.645  207.343 7.4965  216.145 6.8193  -8.802200      10.13418 
1 1 1 -10 -18 32 o 119.799 3.8089  1743.67    110.717  1834.28    166.682  1672.13    148.114  122.769 5.5955  117.242 5.2065  5.527519       7.643127 
1 1 1 -10 -18 33 o 220.015 5.1098  5888.32    272.787  6079.74    397.120  5717.30    375.357  223.249 7.3311  216.522 7.1446  6.727127       10.23668 
1 1 1 -10 -18 34 f 122.386 5.4621  1822.86    162.202  1931.94    254.169  1747.91    210.680  125.453 8.3983  119.477 7.3024  5.975967       11.12906 
1 1 1 -10 -18 35 o 77.334  5.3333  731.241    99.464   702.363    164.932  747.747    124.689  75.190  9.2343  78.040  6.6482  -2.849846      11.37852 
1 1 1 -10 -18 36 o 144.691 5.9357  2550.18    208.389  2326.35    321.841  2711.76    273.450  137.398 9.7164  148.822 7.5979  -11.42406      12.33438 
1 1 1 -10 -18 37 o 154.064 4.2820  2886.15    160.072  2860.37    239.449  2906.98    215.233  153.156 6.4434  154.480 5.7421  -1.324051      8.630719 
1 1 1 -10 -18 38 o 103.274 3.7734  1296.43    94.557   1455.62    146.455  1182.64    123.823  109.171 5.5471  98.417  5.2037  10.75425       7.605838 
1 1 1 -10 -18 39 o 105.004 3.8097  1340.57    97.064   1416.37    149.996  1285.96    127.315  107.629 5.7645  102.754 5.1064  4.875214       7.701007 
1 1 1 -10 -18 40 o 161.617 4.1967  3178.51    164.572  3146.69    236.603  3208.33    229.060  160.541 6.0739  162.147 5.8220  -1.606293      8.413610 
1 1 1 -10 -18 41 o 166.663 4.3393  3382.52    175.478  3489.33    252.271  3282.39    244.250  168.954 6.1537  163.870 6.1429  5.084442       8.694983 
1 1 1 -10 -18 42 o 125.928 3.8332  1930.45    117.126  1943.32    168.083  1918.30    163.304  126.122 5.4925  125.327 5.3702  0.7953033      7.681528 
1 1 1 -10 -18 43 o 49.093  3.7691  295.214    44.555   314.256    62.842   275.965    63.180   50.450  5.2086  47.167  5.6318  3.282070       7.671145 
1 1 1 -10 -18 44 o 100.108 3.6150  1220.70    87.811   1212.50    126.217  1228.39    122.244  99.416  5.2510  100.109 5.0488  -0.6929703     7.284474 
1 1 1 -10 -18 45 o 70.494  3.5502  607.042    60.530   605.360    87.100   608.614    84.179   70.132  5.1546  70.357  4.9628  -0.2257233     7.155360 
1 1 1 -10 -18 46 o 55.967  4.3709  385.097    58.886   353.876    70.731   455.612    106.298  53.416  5.5377  60.216  7.4330  -6.800301      9.269090 
1 1 1 -10 -18 47 o 164.744 5.1080  3329.20    204.185  3313.73    248.459  3361.37    358.368  163.916 6.2470  163.393 9.0749  0.5229492      11.01722 
1 1 1 -10 -18 48 o 147.925 6.2475  2702.12    224.238  2569.44    331.002  2814.66    304.850  142.247 9.6471  149.689 8.4276  -7.442032      12.80983 
1 1 1 -10 -18 49 o 80.276  3.9766  787.782    77.457   833.079    127.347  761.185    97.582   81.804  6.4686  78.547  5.1486  3.257256       8.267420 
1 1 1 -10 -18 50 o 92.087  4.1249  1037.60    92.167   940.640    155.015  1090.62    114.629  86.560  7.4533  94.085  5.0395  -7.525444      8.997133 
1 1 1 -10 -18 51 o 90.368  4.1607  999.833    91.232   909.259    152.715  1050.09    113.763  85.024  7.4785  92.267  5.1013  -7.242676      9.052714 
1 1 1 -10 -18 52 o 77.623  4.2540  740.610    79.817   841.807    137.889  689.614    97.883   81.896  7.0065  74.582  5.4466  7.313751       8.874464 
1 1 1 -10 -18 53 o 65.317  6.1261  533.772    95.957   669.774    178.757  478.718    113.732  71.244  10.669  61.238  7.8337  10.00674       13.23609 
1 1 1 -10 -18 54 o 57.004  7.3098  414.206    98.776   417.281    170.664  412.657    121.125  54.650  13.050  56.135  9.2125  -1.485100      15.97427 
1 1 1 -10 -18 55 o 86.981  4.5490  934.261    95.673   854.219    161.209  977.781    118.871  81.534  8.2628  88.611  5.5568  -7.077324      9.957494 
1 1 1 -10 -18 56 o 38.297  6.7325  189.211    60.277   58.259     108.932  247.002    72.366   26.974  10.854  43.771  7.0535  -16.79681      12.94421 
1 1 1 -10 -18 57 o 33.594  7.4956  148.717    59.547   174.829    112.468  138.546    70.193   35.854  11.452  32.183  8.7559  3.670616       14.41538 
1 1 1 -10 -18 58 f 31.810  7.1722  133.304    54.036   277.094    113.146  90.817     61.503   44.716  10.591  26.550  8.4671  18.16571       13.55980 
1 1 1 -10 -18 59 o 44.460  13.051  289.029    150.009  289.029    150.009  0.0000     0.0000   44.460  13.051  ?       ?       0.000000       13.05064 
1 1 1 -10 -18 60 o 73.431  10.298  732.426    178.436  732.426    178.436  0.0000     0.0000   73.431  10.298  ?       ?       0.000000       10.29793 
1 1 1 -10 -18 61 o 40.123  10.173  223.020    99.184   246.382    167.998  210.521    122.886  41.187  14.034  38.576  11.922  2.610943       18.41409 
1 1 1 -10 -18 62 o 22.763  9.5012  26.221     87.436   -371.6913  156.650  206.289    105.379  17.801  8.8857  38.423  10.835  -20.62172      14.01257 
1 1 1 -10 -18 63 o 52.460  6.4766  352.560    80.690   298.452    166.094  369.275    92.316   44.710  13.868  53.325  7.3285  -8.614994      15.68498 
1 1 1 -10 -18 64 o 77.430  5.4167  753.672    101.126  835.133    200.376  725.833    117.137  77.643  10.939  75.428  6.4627  2.215195       12.70564 
1 1 1 -10 -18 65 o 30.395  10.664  121.369    97.291   -356.2789  206.741  257.235    110.263  21.857  10.787  42.484  10.702  -20.62679      15.19511 
1 1 1 -10 -17 1  o 169.852 4.3000  3506.40    177.217  3765.21    253.757  3260.00    247.602  175.864 5.9467  163.613 6.2370  12.25166       8.617585 
1 1 1 -10 -17 2  f 94.200  3.4400  1077.75    78.626   1152.91    114.146  1009.90    108.460  97.376  4.8311  91.000  4.9305  6.375778       6.902837 
1 1 1 -10 -17 3  o 131.133 3.7968  2088.92    120.808  2351.19    173.825  1843.88    168.019  139.045 5.1522  123.106 5.6249  15.93927       7.627880 
1 1 1 -10 -17 4  o 174.615 4.3650  3705.08    184.938  3946.30    264.626  3474.78    258.563  180.075 6.0564  168.952 6.3072  11.12251       8.744200 
1 1 1 -10 -17 5  o 119.384 3.6778  1730.98    106.537  1887.45    153.869  1586.89    147.654  124.602 5.0894  114.239 5.3268  10.36211       7.367250 
1 1 1 -10 -17 6  o 183.820 6.4048  4111.92    285.669  4378.03    399.991  3834.86    408.127  189.432 8.7023  176.940 9.5414  12.49197       12.91391 
1 1 1 -10 -17 7  o 81.366  4.8200  807.315    94.736   872.305    132.141  738.583    135.891  84.422  6.5009  77.540  7.3089  6.881660       9.781714 
1 1 1 -10 -17 8  o 158.857 7.8440  3073.98    302.351  0.0000     0.0000   3073.98    302.351  ?       ?       158.857 7.8440  0.000000       7.844026 
1 1 1 -10 -17 9  o 180.425 8.4948  3967.11    371.887  0.0000     0.0000   3967.11    371.887  ?       ?       180.425 8.4948  0.000000       8.494750 
1 1 1 -10 -17 10 o 254.210 10.935  7896.16    674.511  0.0000     0.0000   7896.16    674.511  ?       ?       254.210 10.935  0.000000       10.93535 
1 1 1 -10 -17 11 o 148.639 3.8921  2682.75    140.373  2921.50    204.898  2471.59    192.699  155.047 5.4464  142.604 5.5691  12.44298       7.789594 
1 1 1 -10 -17 12 o 281.354 5.9678  9623.14    407.410  9889.61    582.448  9367.86    570.082  284.938 8.4245  277.314 8.4723  7.624542       11.94786 
1 1 1 -10 -17 13 o 130.444 3.6771  2065.92    116.383  2082.84    170.003  2051.00    159.664  130.922 5.3516  129.928 5.0645  0.9938965      7.368079 
1 1 1 -10 -17 14 o 128.471 3.6433  2003.86    113.572  2108.05    166.013  1912.21    155.710  131.718 5.1944  125.453 5.1153  6.264503       7.290254 
1 1 1 -10 -17 15 o 298.560 6.2978  10838.63   456.231  10833.93   651.698  10843.15   638.908  298.146 9.0085  298.300 8.8272  -0.1540527     12.61237 
1 1 1 -10 -17 16 o 147.777 3.9033  2651.72    139.958  2794.74    203.941  2524.41    192.422  151.641 5.5427  144.123 5.5025  7.518478       7.810189 
1 1 1 -10 -17 17 o 248.329 5.4852  7494.99    330.511  7197.62    474.086  7776.18    461.014  243.102 8.0372  252.745 7.5174  -9.642807      11.00492 
1 1 1 -10 -17 18 o 171.637 4.2914  3578.14    178.722  3356.04    259.291  3779.17    246.683  166.106 6.4333  176.312 5.7663  -10.20517      8.639317 
1 1 1 -10 -17 19 o 157.083 4.0567  2996.84    154.619  3075.09    225.137  2926.98    212.719  159.029 5.8345  155.163 5.6501  3.866287       8.121905 
1 1 1 -10 -17 20 o 74.479  3.3170  673.493    59.943   685.324    90.457   664.230    80.039   74.927  5.0043  73.805  4.4908  1.121780       6.723861 
1 1 1 -10 -17 21 o 185.545 4.4993  4183.01    202.563  4101.46    293.354  4257.33    280.044  183.570 6.5861  187.062 6.1699  -3.492294      9.024616 
1 1 1 -10 -17 22 o 129.633 3.7700  2041.07    118.583  1951.50    174.135  2118.52    161.932  126.667 5.6658  132.010 5.0555  -5.343483      7.593336 
1 1 1 -10 -17 23 o 174.313 4.3614  3692.29    184.468  3628.04    267.988  3750.15    254.305  172.630 6.3979  175.550 5.9702  -2.920288      8.750768 
1 1 1 -10 -17 24 o 125.130 3.7118  1901.93    112.697  2107.76    166.490  1727.85    153.105  131.648 5.2121  119.189 5.2941  12.45804       7.429197 
1 1 1 -10 -17 25 o 92.072  4.9606  1033.83    110.413  1092.25    161.069  982.034    151.653  94.399  7.0837  89.487  7.0412  4.911484       9.987862 
1 1 1 -10 -17 26 o 176.963 6.2363  3813.63    267.777  4064.95    383.535  3574.61    374.032  182.382 8.6668  170.737 9.0610  11.64496       12.53852 
1 1 1 -10 -17 27 o 97.395  5.0687  1156.81    119.371  1158.12    173.967  1155.65    164.096  97.162  7.4356  97.117  7.0108  0.4447937E-01  10.21958 
1 1 1 -10 -17 28 f 253.060 7.9498  7816.57    488.139  7957.34    696.006  7680.29    684.796  254.553 11.269  250.077 11.286  4.475052       15.94823 
1 1 1 -10 -17 29 o 110.991 3.6642  1496.47    98.681   1561.33    148.315  1444.94    132.186  113.286 5.3956  109.004 4.9978  4.282654       7.354665 
1 1 1 -10 -17 30 o 145.664 4.0317  2578.18    142.496  2669.42    210.549  2501.06    193.559  148.092 5.8595  143.369 5.5641  4.722992       8.080391 
1 1 1 -10 -17 31 o 218.876 5.0262  5826.14    266.931  6288.30    387.688  5409.57    368.070  227.128 7.0347  210.638 7.2016  16.49036       10.06729 
1 1 1 -10 -17 32 o 166.506 4.2412  3369.40    171.349  3405.36    245.073  3335.01    239.666  167.243 6.0393  165.513 5.9678  1.729721       8.490400 
1 1 1 -10 -17 33 o 139.728 3.9049  2372.24    132.392  2479.85    189.956  2270.59    184.620  142.758 5.4839  136.595 5.5703  6.162247       7.816744 
1 1 1 -10 -17 34 o 155.091 6.0480  2929.02    227.596  2788.84    347.508  3034.32    301.178  150.621 9.5581  157.650 7.8734  -7.029236      12.38336 
1 1 1 -10 -17 35 o 144.156 5.8106  2530.17    203.242  2572.79    312.303  2498.86    267.685  144.745 8.9359  142.857 7.7515  1.887894       11.82946 
1 1 1 -10 -17 36 o 90.691  5.3246  1004.43    116.657  1244.37    189.166  857.169    148.191  100.638 7.8078  83.480  7.3925  17.15781       10.75225 
1 1 1 -10 -17 37 o 178.810 4.4525  3888.19    193.180  4000.77    276.738  3781.19    269.790  181.167 6.2955  176.123 6.3132  5.044067       8.915642 
1 1 1 -10 -17 38 o 149.064 4.0576  2701.55    146.760  2639.76    210.926  2759.54    204.332  147.173 5.9066  150.510 5.5951  -3.337082      8.135895 
1 1 1 -10 -17 39 o 71.075  3.5536  614.001    61.284   627.097    87.472   601.375    85.888   71.584  5.0688  70.091  5.0847  1.492798       7.179665 
1 1 1 -10 -17 40 o 75.441  3.5187  691.909    64.410   625.014    90.769   759.760    91.415   71.418  5.2753  78.839  4.8016  -7.421471      7.133298 
1 1 1 -10 -17 41 f 95.282  3.5525  1104.13    82.132   981.580    117.836  1219.91    114.538  89.528  5.4504  100.060 4.7176  -10.53217      7.208514 
1 1 1 -10 -17 42 o 146.034 4.0596  2596.89    143.848  2651.57    206.930  2545.77    200.104  147.281 5.7905  144.327 5.7141  2.954010       8.135129 
1 1 1 -10 -17 43 o 50.747  3.7309  315.248    45.617   312.673    64.153   317.881    64.878   50.303  5.3376  50.722  5.3523  -0.4193077     7.558939 
1 1 1 -10 -17 44 o 44.843  4.0350  247.106    43.433   254.783    60.913   239.168    61.947   45.265  5.6705  43.772  5.9898  1.493389       8.248139 
1 1 1 -10 -17 45 o 76.343  3.5283  710.092    65.358   700.265    93.462   719.496    91.432   75.465  5.1347  76.535  4.9500  -1.069809      7.132145 
1 1 1 -10 -17 46 o 108.826 3.6770  1444.21    97.094   1385.41    139.895  1498.87    134.866  106.128 5.4510  110.621 5.0246  -4.493340      7.413493 
1 1 1 -10 -17 47 o 154.527 5.7789  2937.40    216.677  3009.15    292.352  2849.94    322.755  155.552 7.7458  150.573 8.8733  4.978699       11.77847 
1 1 1 -10 -17 48 o 59.644  4.7359  438.597    67.974   410.431    86.653   483.657    109.601  57.318  6.3365  61.963  7.4386  -4.644722      9.771574 
1 1 1 -10 -17 49 o 43.815  4.0400  236.653    42.466   273.315    60.208   200.358    59.906   46.845  5.3956  39.775  6.4262  7.069584       8.391022 
1 1 1 -10 -17 50 o 62.522  3.8424  479.458    58.009   525.889    82.117   433.210    81.956   65.196  5.2351  58.997  5.8001  6.199005       7.813274 
1 1 1 -10 -17 51 o 75.641  3.7355  699.202    68.561   652.849    96.857   745.753    97.063   72.576  5.5420  77.696  5.1783  -5.119736      7.584770 
1 1 1 -10 -17 52 o 122.844 5.0263  1856.64    149.821  1603.52    307.040  1935.74    171.641  110.397 11.638  125.205 5.6499  -14.80764      12.93662 
1 1 1 -10 -17 53 o 44.373  8.7969  257.756    91.367   500.445    155.526  129.860    112.903  61.347  10.845  32.737  11.488  28.61010       15.79840 
1 1 1 -10 -17 54 o 49.074  8.6025  314.158    98.698   313.527    170.688  314.475    120.973  47.166  13.943  48.318  10.609  -1.151760      17.52017 
1 1 1 -10 -17 55 o 37.337  7.2256  180.917    63.094   217.783    115.425  165.208    75.346   39.901  11.370  35.248  8.8287  4.652397       14.39559 
1 1 1 -10 -17 56 o 46.704  6.0040  276.252    66.463   200.555    121.986  308.209    79.260   38.255  11.888  49.080  6.8417  -10.82482      13.71589 
1 1 1 -10 -17 57 o 44.680  6.2476  254.642    65.880   248.620    119.909  257.245    78.846   42.189  11.430  44.425  7.5870  -2.235229      13.71873 
1 1 1 -10 -17 58 o 46.850  11.263  307.583    126.461  307.583    126.461  0.0000     0.0000   46.850  11.263  ?       ?       0.000000       11.26343 
1 1 1 -10 -17 59 o 33.125  12.225  136.893    129.757  136.893    129.757  0.0000     0.0000   33.125  12.225  ?       ?       0.000000       12.22544 
1 1 1 -10 -17 60 o 45.936  7.1329  274.014    76.925   249.142    154.859  282.161    88.634   41.442  13.458  46.162  8.2142  -4.719978      15.76676 
1 1 1 -10 -17 61 o 23.996  9.7205  43.237     88.013   -152.1302  151.877  142.018    107.995  21.889  10.419  32.808  11.251  -10.91937      15.33418 
1 1 1 -10 -17 62 o 47.583  9.7560  308.447    108.856  376.648    191.874  276.076    132.190  49.722  14.803  43.914  12.044  5.808361       19.08360 
1 1 1 -10 -17 63 o 34.976  8.3424  164.486    69.806   -9.0190    157.781  206.714    77.839   27.050  12.015  39.257  8.4239  -12.20722      14.67399 
1 1 1 -10 -17 64 o 17.824  7.7041  -0.2691    61.045   -218.9861  141.353  49.875     67.682   19.147  9.3396  22.608  8.7191  -3.460600      12.77699 
1 1 1 -10 -16 1  o 287.476 6.1526  10060.33   429.165  10860.81   609.981  9275.66    603.926  298.252 8.4289  275.499 9.0344  22.75305       12.35584 
1 1 1 -10 -16 2  o 339.842 7.0427  14069.99   580.736  14873.29   824.190  13277.91   818.410  348.749 9.7398  329.377 10.240  19.37189       14.13250 
1 1 1 -10 -16 3  o 344.862 7.0903  14485.17   593.297  15541.50   842.109  13444.07   836.020  356.601 9.7325  331.495 10.394  25.10529       14.23910 
1 1 1 -10 -16 4  o 220.319 5.0231  5899.64    268.529  6440.98    382.704  5374.66    376.877  230.026 6.8568  210.067 7.3940  19.95920       10.08398 
1 1 1 -10 -16 5  o 278.112 6.0025  9406.14    405.059  9835.12    575.283  8984.36    570.427  284.067 8.3463  271.455 8.6604  12.61194       12.02763 
1 1 1 -10 -16 6  o 263.633 5.6201  8448.33    359.509  9379.77    515.325  7565.17    501.791  277.557 7.6518  249.189 8.2991  28.36801       11.28827 
1 1 1 -10 -16 7  o 323.071 13.392  12792.57   1049.81  0.0000     0.0000   12792.57   1049.81  ?       ?       323.071 13.392  0.000000       13.39212 
1 1 1 -10 -16 8  o 249.044 10.752  7571.50    649.731  0.0000     0.0000   7571.50    649.731  ?       ?       249.044 10.752  0.000000       10.75210 
1 1 1 -10 -16 9  o 151.789 7.6686  2810.74    281.519  0.0000     0.0000   2810.74    281.519  ?       ?       151.789 7.6686  0.000000       7.668554 
1 1 1 -10 -16 10 o 348.916 10.178  14845.36   861.715  14755.81   1229.68  14931.77   1207.91  346.929 14.608  349.077 14.261  -2.147827      20.41485 
1 1 1 -10 -16 11 o 99.957  4.7535  1213.47    115.290  1042.63    171.691  1353.77    155.585  92.249  7.7420  105.364 6.1120  -13.11461      9.863842 
1 1 1 -10 -16 12 o 15.594  4.8922  29.157     20.604   56.439     32.738   11.262     26.514   21.291  6.0515  13.545  5.3870  7.746406       8.101866 
1 1 1 -10 -16 13 o 416.724 8.4870  21139.32   858.160  19907.41   1220.12  22345.34   1207.23  403.619 12.459  427.817 11.630  -24.19888      17.04300 
1 1 1 -10 -16 14 o 13.798  4.8153  20.465     19.823   -21.8927   32.604   45.307     24.968   11.520  5.2565  19.025  5.2413  -7.504773      7.423106 
1 1 1 -10 -16 15 o 98.052  3.3501  1167.04    79.705   1120.56    117.743  1206.35    108.288  95.913  5.0774  99.669  4.4777  -3.756386      6.769795 
1 1 1 -10 -16 16 o 339.711 7.0795  14035.50   583.550  13332.56   832.183  14715.55   818.516  330.627 10.373  347.466 9.7085  -16.83902      14.20774 
1 1 1 -10 -16 17 o 160.770 4.1056  3138.47    160.157  3205.42    232.738  3078.25    220.731  162.400 5.9063  159.155 5.7158  3.244888       8.219181 
1 1 1 -10 -16 18 o 269.369 5.8202  8819.06    380.410  8801.72    544.852  8835.56    531.365  268.844 8.3525  269.387 8.1293  -0.5431213     11.65542 
1 1 1 -10 -16 19 o 331.825 6.9016  13394.80   555.678  13565.05   792.927  13230.50   778.954  333.467 9.7998  329.339 9.7478  4.128174       13.82226 
1 1 1 -10 -16 20 o 257.556 5.6388  8063.53    352.386  8061.39    505.510  8065.56    491.485  257.256 8.0984  257.351 7.8708  -0.9515381E-01 11.29312 
1 1 1 -10 -16 21 o 275.494 5.9743  9229.70    399.356  9010.33    572.085  9438.20    557.739  271.844 8.6732  278.288 8.2599  -6.444122      11.97702 
1 1 1 -10 -16 22 f 215.527 4.9313  5645.43    257.887  6070.65    372.080  5252.32    357.758  223.314 6.8668  207.693 7.0991  15.62016       9.876757 
1 1 1 -10 -16 23 o 334.532 7.0083  13629.17   568.869  13421.07   812.297  13829.48   796.927  331.286 10.105  336.378 9.7640  -5.091095      14.05174 
1 1 1 -10 -16 24 o 329.551 6.8609  13227.94   548.613  13727.46   784.064  12748.80   767.901  335.072 9.6438  322.866 9.8021  12.20621       13.75078 
1 1 1 -10 -16 25 o 297.639 8.9936  10825.55   649.510  11112.53   923.141  10544.22   914.018  300.499 12.661  292.644 12.872  7.854492       18.05514 
1 1 1 -10 -16 26 o 160.678 5.9747  3142.68    232.938  3053.24    333.661  3227.72    325.343  157.838 8.7465  162.380 8.2850  -4.542908      12.04746 
1 1 1 -10 -16 27 o 48.448  4.8537  288.253    56.290   317.819    73.755   247.005    87.116   50.729  6.1153  44.250  8.4215  6.479263       10.40757 
1 1 1 -10 -16 28 o 95.163  4.6690  1100.95    107.810  1115.28    144.981  1083.22    161.245  95.494  6.2923  93.999  7.1226  1.495110       9.503887 
1 1 1 -10 -16 29 o 117.158 3.6607  1667.33    104.063  1707.65    148.924  1628.86    145.472  118.491 5.1798  115.725 5.1807  2.765854       7.325986 
1 1 1 -10 -16 30 o 197.430 4.6652  4738.53    223.485  4673.07    319.067  4801.57    313.128  195.848 6.7143  198.549 6.4997  -2.700806      9.344889 
1 1 1 -10 -16 31 o 150.519 3.9904  2752.73    145.739  2735.54    208.673  2769.10    203.631  149.929 5.7361  150.859 5.5630  -0.9304657     7.990590 
1 1 1 -10 -16 32 o 131.079 3.7979  2087.34    120.793  2073.18    173.049  2100.79    168.690  130.538 5.4635  131.416 5.2902  -0.8779755     7.604995 
1 1 1 -10 -16 33 o 232.293 5.2040  6563.62    293.315  6858.72    418.658  6279.13    411.066  237.162 7.2753  226.890 7.4668  10.27271       10.42508 
1 1 1 -10 -16 34 o 369.598 10.845  16766.42   972.534  17180.87   1403.00  16383.08   1349.31  371.876 15.549  363.271 15.308  8.605530       21.81967 
1 1 1 -10 -16 35 o 229.504 7.3138  6425.46    407.283  7285.95    603.923  5707.61    551.597  243.754 10.211  215.668 10.541  28.08682       14.67553 
1 1 1 -10 -16 36 o 307.083 9.2771  11547.57   691.243  12018.65   1006.57  11127.12   950.934  311.761 13.306  300.079 13.060  11.68188       18.64476 
1 1 1 -10 -16 37 f 255.082 5.5520  7922.26    343.632  8085.33    490.245  7764.76    481.803  257.234 7.8545  252.078 7.8772  5.156143       11.12402 
1 1 1 -10 -16 38 o 100.244 3.6115  1221.16    87.845   1167.88    126.120  1271.36    122.424  97.793  5.3353  102.211 4.9364  -4.417267      7.268614 
1 1 1 -10 -16 39 o 160.924 4.2242  3149.74    164.943  3074.32    236.630  3221.02    230.040  158.762 6.1427  162.549 5.8325  -3.786469      8.470569 
1 1 1 -10 -16 40 o 231.671 5.2349  6540.52    294.270  6527.83    420.833  6552.65    411.639  230.904 7.5113  231.393 7.3317  -0.4882660     10.49632 
1 1 1 -10 -16 41 o 139.421 3.9495  2365.23    133.608  2196.34    191.964  2523.91    186.074  134.107 5.8994  143.847 5.3312  -9.739868      7.951347 
1 1 1 -10 -16 42 o 89.080  3.5746  965.432    77.263   990.519    111.472  942.237    107.188  89.951  5.1286  87.736  5.0565  2.215729       7.202104 
1 1 1 -10 -16 43 o 35.479  4.5067  155.938    37.921   117.506    53.584   194.499    53.674   30.315  7.3588  39.465  5.7762  -9.149755      9.354996 
1 1 1 -10 -16 44 o 44.581  3.9986  244.179    42.793   251.145    59.488   236.709    61.605   44.958  5.5728  43.546  5.9890  1.411823       8.180682 
1 1 1 -10 -16 45 o 92.521  3.6087  1043.06    81.013   950.548    116.487  1129.73    112.743  87.905  5.4888  95.998  4.8560  -8.093094      7.328548 
1 1 1 -10 -16 46 f 121.702 3.8563  1806.97    113.875  1883.50    164.343  1736.29    157.936  123.905 5.4664  118.963 5.4715  4.941711       7.734220 
1 1 1 -10 -16 47 o 163.354 5.9656  3284.96    236.456  3339.16    319.034  3218.91    352.222  163.736 8.0303  159.933 9.1142  3.802597       12.14714 
1 1 1 -10 -16 48 o 54.833  4.8066  371.249    63.306   313.016    80.013   468.715    103.515  49.857  6.7908  61.088  7.1170  -11.23183      9.837005 
1 1 1 -10 -16 49 o 64.317  3.6570  506.599    56.835   555.225    81.836   461.294    78.992   67.064  5.0665  61.021  5.3905  6.043255       7.397782 
1 1 1 -10 -16 50 o 52.600  4.2021  340.664    53.183   374.810    70.214   294.706    81.457   54.955  5.3328  48.197  7.1850  6.758358       8.947813 
1 1 1 -10 -16 51 o 89.866  3.8202  987.159    83.300   851.963    115.826  1132.00    119.886  82.893  5.7952  95.801  5.1767  -12.90840      7.770572 
1 1 1 -10 -16 52 o 80.820  5.0776  806.786    99.067   689.816    209.262  840.574    112.469  71.581  12.503  82.325  5.6648  -10.74383      13.72680 
1 1 1 -10 -16 53 o 47.813  8.4998  296.915    94.996   524.482    162.533  178.839    117.076  62.731  11.084  36.867  11.674  25.86393       16.09746 
1 1 1 -10 -16 54 o 34.346  6.0800  150.658    48.815   170.059    54.669   74.346     108.424  36.450  6.4155  28.242  10.995  8.208546       12.73018 
1 1 1 -10 -16 55 o 100.214 3.9767  1232.40    96.697   1113.60    136.556  1351.88    136.946  94.407  5.9923  104.316 5.4292  -9.908859      8.086061 
1 1 1 -10 -16 56 o 53.325  4.3894  352.506    56.290   405.122    75.344   286.037    84.683   56.852  5.5319  46.938  7.7028  9.914406       9.483373 
1 1 1 -10 -16 57 o 52.217  4.2302  337.976    53.136   285.674    72.741   397.812    77.805   47.278  6.5140  56.188  5.7898  -8.909733      8.715182 
1 1 1 -10 -16 58 o 47.854  10.725  316.831    121.455  316.831    121.455  0.0000     0.0000   47.854  10.725  ?       ?       0.000000       10.72547 
1 1 1 -10 -16 59 o 29.893  8.6882  119.176    66.777   12.711     167.479  139.301    72.816   28.734  12.585  32.151  8.9857  -3.416571      15.46377 
1 1 1 -10 -16 60 o 67.510  5.6086  573.152    91.040   658.146    176.857  542.510    106.191  69.269  10.881  65.125  6.8213  4.143448       12.84256 
1 1 1 -10 -16 61 o 37.265  10.505  192.070    99.079   209.690    167.390  182.568    122.926  38.963  13.956  36.412  11.999  2.550854       18.40463 
1 1 1 -10 -16 62 o 26.208  10.008  71.744     88.584   146.666    171.836  44.626     103.380  35.346  13.820  25.430  10.446  9.916428       17.32342 
1 1 1 -10 -16 63 o 20.052  8.1240  27.107     61.484   15.432     140.867  29.855     68.337   26.814  11.646  21.040  8.5503  5.773575       14.44802 
1 1 1 -10 -16 64 o 14.172  6.6474  -53.4850   57.768   -179.2173  123.332  -18.1470   65.384   18.296  8.8785  17.256  7.6954  1.039265       11.74931 
1 1 1 -10 -15 1  o 354.165 7.3008  15281.08   627.390  16177.36   890.469  14397.60   884.093  363.717 10.090  342.980 10.623  20.73706       14.65147 
1 1 1 -10 -15 2  f 186.343 4.5046  4218.81    203.673  4563.52    291.256  3888.93    284.923  193.682 6.1976  178.764 6.5687  14.91757       9.030965 
1 1 1 -10 -15 3  o 150.912 4.0228  2765.92    147.305  3148.11    211.443  2405.51    205.332  160.933 5.4148  140.645 6.0168  20.28723       8.094592 
1 1 1 -10 -15 4  o 163.795 4.8089  3259.33    191.123  3577.25    237.792  2679.18    321.225  171.549 5.7128  147.983 8.9887  23.56621       10.65044 
1 1 1 -10 -15 5  o 263.782 5.6552  8456.27    361.959  9089.39    519.011  7856.75    505.049  273.262 7.8277  254.018 8.1942  19.24413       11.33212 
1 1 1 -10 -15 6  o 148.389 4.4517  2674.06    160.284  2960.58    287.386  2544.70    193.108  155.989 7.5929  144.717 5.4994  11.27112       9.375271 
1 1 1 -10 -15 7  o 102.877 4.5675  1285.27    114.014  0.0000     0.0000   1285.27    114.014  ?       ?       102.877 4.5675  0.000000       4.567491 
1 1 1 -10 -15 8  o 158.721 7.8367  3064.63    301.808  0.0000     0.0000   3064.63    301.808  ?       ?       158.721 7.8367  0.000000       7.836708 
1 1 1 -10 -15 9  o 143.184 5.3936  2490.32    187.386  2663.29    275.694  2341.80    255.467  147.778 7.7155  138.555 7.6283  9.223160       10.84984 
1 1 1 -10 -15 10 f 87.980  4.6465  942.533    98.841   928.302    150.762  953.262    130.897  87.085  7.1994  88.361  6.1435  -1.275597      9.464312 
1 1 1 -10 -15 11 o 212.756 6.9409  5502.17    358.314  5177.25    518.151  5799.94    496.036  205.872 10.407  218.265 9.3662  -12.39334      14.00082 
1 1 1 -10 -15 12 o 263.759 5.7790  8451.32    369.850  7582.85    529.217  9280.43    517.088  249.628 8.7373  276.252 7.7143  -26.62390      11.65547 
1 1 1 -10 -15 13 o 262.408 5.7147  8364.68    363.860  7896.81    521.021  8810.09    508.363  254.770 8.4283  269.155 7.7841  -14.38487      11.47297 
1 1 1 -10 -15 14 o 206.099 4.8234  5158.08    241.211  4605.60    347.302  5672.94    335.264  194.628 7.3542  216.064 6.3950  -21.43515      9.745803 
1 1 1 -10 -15 15 o 78.967  3.2338  756.851    61.962   713.249    92.328   792.581    83.579   76.473  5.0034  80.683  4.2846  -4.210106      6.587263 
1 1 1 -10 -15 16 o 150.789 3.9665  2760.33    145.124  2790.24    211.147  2733.56    199.795  151.548 5.7421  150.010 5.4891  1.538223       7.943650 
1 1 1 -10 -15 17 o 164.191 4.1667  3273.15    165.997  3296.32    240.738  3252.15    229.198  164.702 6.0240  163.605 5.7736  1.096420       8.344019 
1 1 1 -10 -15 18 o 104.199 3.5017  1317.99    88.533   1209.54    130.908  1409.40    120.186  99.632  5.4356  107.730 4.5978  -8.097565      7.119408 
1 1 1 -10 -15 19 o 158.650 4.1252  3056.22    158.797  2889.31    230.658  3206.62    218.946  154.175 6.1658  162.450 5.5546  -8.274689      8.298855 
1 1 1 -10 -15 20 o 264.643 5.7587  8512.14    369.788  8557.59    530.015  8469.04    516.178  265.099 8.2398  263.744 8.0659  1.354736       11.53052 
1 1 1 -10 -15 21 o 158.136 4.0961  3036.86    157.168  3403.91    229.114  2710.62    216.004  167.345 5.6425  149.317 5.9619  18.02751       8.208716 
1 1 1 -10 -15 22 f 144.900 3.9544  2549.86    139.031  2732.35    203.516  2390.16    190.381  149.919 5.5947  140.218 5.5957  9.701492       7.912816 
1 1 1 -10 -15 23 f 165.929 4.1445  3344.34    166.864  3227.85    237.842  3457.26    234.165  162.903 6.0172  168.613 5.7236  -5.710220      8.304572 
1 1 1 -10 -15 24 o 333.403 6.9428  13536.57   561.649  13522.39   797.321  13550.54   791.299  332.588 9.8801  332.956 9.7947  -0.3677063     13.91232 
1 1 1 -10 -15 25 o 57.903  3.3255  408.478    46.526   368.463    66.783   446.218    64.856   54.817  5.0787  60.432  4.4544  -5.615425      6.755330 
1 1 1 -10 -15 26 o 263.805 8.1749  8493.91    523.276  9382.32    729.952  7554.72    750.525  276.621 10.875  247.489 12.539  29.13223       16.59830 
1 1 1 -10 -15 27 o 218.838 7.0259  5836.84    373.067  6056.73    517.137  5598.20    538.718  222.483 9.5795  213.736 10.388  8.747147       14.13052 
1 1 1 -10 -15 28 o 68.147  4.5858  567.070    75.386   519.326    99.269   632.118    115.869  64.994  6.3769  71.718  6.7375  -6.723808      9.276756 
1 1 1 -10 -15 29 o 35.672  4.0788  156.625    34.669   174.121    49.324   139.540    48.741   37.420  5.6048  33.316  6.2593  4.104469       8.401986 
1 1 1 -10 -15 30 o 156.914 4.0769  2991.71    155.223  3089.02    221.833  2898.36    217.276  159.326 5.7382  154.326 5.8024  5.000656       8.160576 
1 1 1 -10 -15 31 f 108.869 3.6334  1439.69    95.979   1470.01    137.409  1410.80    134.121  109.942 5.1509  107.706 5.1321  2.236160       7.271193 
1 1 1 -10 -15 32 o 62.857  3.5025  481.373    53.207   527.867    75.476   435.441    75.018   65.721  4.7654  59.605  5.2403  6.115742       7.083053 
1 1 1 -10 -15 33 o 185.077 4.4905  4163.59    201.655  4275.54    288.165  4056.16    282.293  187.372 6.3383  182.497 6.3750  4.874557       8.989684 
1 1 1 -10 -15 34 o 249.803 8.0391  7618.15    487.272  7425.09    716.093  7784.63    664.958  245.673 12.013  251.864 10.881  -6.191040      16.20811 
1 1 1 -10 -15 35 o 154.113 5.8178  2891.29    217.552  3674.04    333.896  2313.85    286.781  173.473 7.9326  137.318 8.6514  36.15399       11.73765 
1 1 1 -10 -15 36 o 231.660 7.6259  6551.07    428.655  6518.09    634.526  6578.76    581.375  230.216 11.359  231.551 10.348  -1.335571      15.36582 
1 1 1 -10 -15 37 o 312.849 6.5198  11931.62   494.914  11938.10   704.299  11925.31   695.611  312.157 9.2987  312.026 9.1878  0.1311646      13.07214 
1 1 1 -10 -15 38 o 76.914  3.5490  718.823    66.233   782.269    94.772   658.247    92.603   80.030  4.9041  73.349  5.2376  6.681099       7.175119 
1 1 1 -10 -15 39 o 157.207 4.1968  3005.67    160.085  2959.15    229.555  3049.71    223.363  155.777 6.0732  158.176 5.8198  -2.398895      8.411522 
1 1 1 -10 -15 40 o 88.224  3.5745  946.236    76.519   945.851    109.687  946.601    106.800  87.959  5.1620  88.012  5.0219  -0.5287933E-01 7.201764 
1 1 1 -10 -15 41 o 197.312 4.7817  4743.52    228.929  4865.14    328.203  4628.29    319.482  199.395 6.7837  194.484 6.7701  4.910843       9.584005 
1 1 1 -10 -15 42 f 133.814 3.9619  2179.88    128.638  2134.62    184.570  2222.63    179.385  132.166 5.7554  134.908 5.4801  -2.742569      7.947065 
1 1 1 -10 -15 43 o 79.899  3.5179  776.932    68.200   734.989    97.745   816.723    95.204   77.391  5.2361  81.666  4.8260  -4.274940      7.120841 
1 1 1 -10 -15 44 o 106.341 3.6265  1377.25    93.574   1317.95    134.545  1432.80    130.229  103.653 5.3680  108.283 4.9566  -4.629906      7.306345 
1 1 1 -10 -15 45 o 42.646  4.1217  223.923    42.118   185.450    59.687   262.080    59.441   38.284  6.6677  45.941  5.4379  -7.657276      8.604048 
1 1 1 -10 -15 46 o 47.465  3.9621  276.809    45.214   269.004    63.429   284.872    64.468   46.462  5.7490  47.850  5.6624  -1.387642      8.069342 
1 1 1 -10 -15 47 o 59.676  4.7474  438.715    68.174   349.643    86.177   587.687    111.449  52.752  6.8980  68.641  6.7802  -15.88945      9.672257 
1 1 1 -10 -15 48 o 67.901  4.7523  567.584    77.802   600.139    99.270   515.742    125.269  69.553  5.9391  63.758  8.2938  5.795498       10.20095 
1 1 1 -10 -15 49 o 103.590 3.7561  1310.38    94.409   1306.26    133.298  1314.53    133.733  102.950 5.3547  103.276 5.3551  -0.3262100     7.572981 
1 1 1 -10 -15 50 o 26.605  6.5691  91.062     42.152   100.042    52.892   75.430     69.785   27.874  7.6077  25.753  9.0321  2.120203       11.80920 
1 1 1 -10 -15 51 o 48.178  4.5177  286.957    52.195   346.835    69.319   208.566    79.315   52.790  5.4921  40.044  8.4297  12.74625       10.06102 
1 1 1 -10 -15 52 o 21.370  8.7238  24.952     71.548   128.348    118.481  -34.3936   89.762   32.991  11.749  19.934  8.9436  13.05770       14.76598 
1 1 1 -10 -15 53 o 24.792  9.6238  54.325     82.872   59.678     140.285  51.455     102.710  29.800  12.196  26.321  10.557  3.478662       16.13082 
1 1 1 -10 -15 54 o 39.039  5.8080  192.841    53.340   223.602    61.983   105.032    104.722  41.961  6.2809  30.277  11.012  11.68427       12.67747 
1 1 1 -10 -15 55 o 36.301  5.3013  166.326    45.317   194.852    60.409   129.612    68.533   38.968  6.6261  31.335  8.7032  7.633005       10.93849 
1 1 1 -10 -15 56 o 51.224  4.2902  325.130    52.833   306.600    73.946   344.454    75.512   49.125  6.3524  52.207  6.0747  -3.081512      8.789458 
1 1 1 -10 -15 57 o 83.688  6.4022  884.106    129.018  884.106    129.018  0.0000     0.0000   83.688  6.4022  ?       ?       0.000000       6.402185 
1 1 1 -10 -15 58 o 40.287  6.7718  209.970    63.847   209.970    63.847   0.0000     0.0000   40.287  6.7718  ?       ?       0.000000       6.771771 
1 1 1 -10 -15 59 o 18.160  6.6490  34.647     38.268   56.096     46.179   -12.3732   68.372   21.609  7.3576  18.098  7.9803  3.510380       10.85450 
1 1 1 -10 -15 60 o 58.657  4.5018  427.734    63.583   350.224    86.186   520.300    94.185   52.144  6.9876  64.100  6.1304  -11.95579      9.295580 
1 1 1 -10 -15 61 o 27.565  10.159  87.277     89.543   60.237     164.397  98.683     106.771  30.658  12.927  29.429  11.044  1.229122       17.00213 
1 1 1 -10 -15 62 o 22.607  9.3968  26.893     85.013   -50.3481   168.181  53.403     98.527   26.439  12.015  25.622  10.318  0.8162422      15.83726 
1 1 1 -10 -15 63 o 22.233  8.4986  48.711     63.920   -46.0864   124.334  82.767     74.522   22.738  10.332  26.229  9.3206  -3.490875      13.91511 
1 1 1 -10 -15 64 o 29.507  9.7728  114.840    81.512   0.0000     0.0000   114.840    81.512   ?       ?       29.507  9.7728  0.000000       9.772761 
1 1 1 -10 -14 1  o 354.832 7.2933  15328.37   627.933  15889.08   891.115  14775.34   884.979  360.668 10.183  347.726 10.489  12.94193       14.61866 
1 1 1 -10 -14 2  o 233.790 5.1394  6641.44    291.546  7342.82    420.006  5989.23    405.018  245.658 7.0463  221.817 7.5251  23.84030       10.30914 
1 1 1 -10 -14 3  o 85.496  3.2278  887.287    66.961   1067.32    101.615  749.102    89.023   93.745  4.4673  78.392  4.7020  15.35363       6.485745 
1 1 1 -10 -14 4  o 270.092 5.7737  8864.65    378.385  9327.74    542.413  8425.65    528.108  276.843 8.0748  263.095 8.2727  13.74783       11.56025 
1 1 1 -10 -14 5  o 326.711 6.7984  12976.29   538.931  13211.22   769.237  12749.81   755.281  329.316 9.6268  323.515 9.6217  5.801178       13.61074 
1 1 1 -10 -14 6  o 231.030 7.1712  6489.21    401.999  0.0000     0.0000   6489.21    401.999  ?       ?       231.030 7.1712  0.000000       7.171206 
1 1 1 -10 -14 7  o 233.988 7.2823  6656.01    413.454  0.0000     0.0000   6656.01    413.454  ?       ?       233.988 7.2823  0.000000       7.282323 
1 1 1 -10 -14 8  o 438.986 10.144  23468.69   1080.55  24285.38   1882.27  23067.25   1319.65  444.911 17.436  434.786 12.509  10.12497       21.45890 
1 1 1 -10 -14 9  o 148.934 5.5307  2694.01    199.866  2839.39    294.216  2569.43    272.355  152.602 7.9736  145.166 7.7604  7.435837       11.12659 
1 1 1 -10 -14 10 o 90.935  4.6989  1006.68    103.326  869.598    155.164  1115.91    138.502  84.228  7.6765  95.658  5.9975  -11.42987      9.741603 
1 1 1 -10 -14 11 o 249.975 7.6197  7596.29    462.167  8442.53    666.798  6813.87    641.160  263.298 10.437  236.477 11.174  26.82126       15.29036 
1 1 1 -10 -14 12 o 21.878  6.1239  59.751     33.794   65.768     53.316   55.710     43.691   23.884  7.9035  21.868  7.1507  2.015844       10.65823 
1 1 1 -10 -14 13 o 251.534 6.2996  7686.47    384.478  8143.98    682.649  7473.92    465.295  258.559 10.881  247.945 7.7341  10.61319       13.34972 
1 1 1 -10 -14 14 o 86.185  3.2879  901.491    68.757   768.642    101.790  1012.97    93.246   79.380  5.3156  91.348  4.2070  -11.96808      6.778924 
1 1 1 -10 -14 15 o 143.811 3.8876  2510.47    135.657  2342.73    197.288  2660.90    186.834  138.876 5.8548  148.025 5.2018  -9.149490      7.831813 
1 1 1 -10 -14 16 o 422.717 8.5873  21738.02   880.785  20803.09   1252.33  22653.19   1239.02  412.897 12.500  430.993 11.848  -18.09537      17.22280 
1 1 1 -10 -14 17 o 241.922 5.4170  7108.56    317.982  6452.01    456.045  7729.77    443.601  230.313 8.1607  252.158 7.2503  -21.84492      10.91620 
1 1 1 -10 -14 18 o 240.422 5.2894  7020.76    308.565  7713.60    443.073  6368.28    429.977  251.878 7.2497  228.827 7.7442  23.05144       10.60803 
1 1 1 -10 -14 19 o 327.090 6.8451  13006.92   543.262  12754.00   775.375  13250.81   761.393  323.530 9.8772  329.823 9.5140  -6.292603      13.71405 
1 1 1 -10 -14 20 o 256.910 5.6075  8019.79    349.556  8426.18    496.844  7621.46    491.887  263.152 7.7812  250.240 8.1011  12.91193       11.23279 
1 1 1 -10 -14 21 o 82.747  3.3067  831.172    66.391   802.787    94.638   858.678    93.161   81.152  4.8281  83.957  4.5905  -2.805565      6.662033 
1 1 1 -10 -14 22 o 241.846 5.3730  7108.11    315.300  6978.84    448.250  7234.70    443.589  239.420 7.7161  243.793 7.4988  -4.373108      10.75966 
1 1 1 -10 -14 23 o 346.630 7.2010  14626.80   605.653  14790.00   859.320  14465.71   853.750  347.968 10.178  344.121 10.225  3.846771       14.42682 
1 1 1 -10 -14 24 o 291.731 6.1903  10354.10   438.185  10285.77   622.273  10421.29   617.133  290.347 8.8328  292.278 8.7020  -1.930878      12.39932 
1 1 1 -10 -14 25 o 363.331 7.5045  16087.74   661.588  16108.04   938.543  16067.70   932.737  362.731 10.664  362.293 10.610  0.4382629      15.04313 
1 1 1 -10 -14 26 o 406.364 11.811  20275.96   1164.53  21358.19   1635.16  19162.12   1658.87  414.866 16.244  392.297 17.427  22.56839       23.82390 
1 1 1 -10 -14 27 o 63.579  4.7096  494.092    72.139   464.745    93.384   537.520    113.600  61.455  6.3543  66.020  7.2087  -4.564465      9.609495 
1 1 1 -10 -14 28 o 111.519 4.9111  1512.17    132.890  1539.75    178.764  1478.09    198.679  112.240 6.5930  109.841 7.4994  2.399132       9.985401 
1 1 1 -10 -14 29 o 80.819  3.4110  793.274    66.889   905.734    95.728   685.983    93.502   86.199  4.5935  74.926  5.1748  11.27283       6.919430 
1 1 1 -10 -14 30 o 274.185 5.8912  9149.18    391.931  9297.35    557.300  9004.18    551.296  275.967 8.3228  271.572 8.3664  4.394745       11.80105 
1 1 1 -10 -14 31 o 253.510 5.5915  7819.00    343.943  7973.92    489.713  7668.19    483.172  255.651 7.8946  250.694 7.9432  4.957626       11.19904 
1 1 1 -10 -14 32 o 87.693  3.4815  933.993    74.079   924.800    105.950  942.785    103.617  87.063  5.0369  87.924  4.8760  -0.8604660     7.010408 
1 1 1 -10 -14 33 o 153.575 3.9590  2865.55    147.528  4022.78    282.545  2431.80    172.981  181.748 6.4070  141.411 5.0414  40.33653       8.152596 
1 1 1 -10 -14 34 o 183.326 6.5610  4094.12    291.851  4102.71    438.942  4087.32    390.730  182.773 9.9350  182.874 8.8056  -0.1011200     13.27565 
1 1 1 -10 -14 35 f 108.928 5.5316  1447.55    145.722  1223.98    231.196  1594.90    187.701  99.522  9.6973  114.195 6.8050  -14.67294      11.84677 
1 1 1 -10 -14 36 o 123.061 5.6360  1843.37    168.288  1761.84    264.843  1898.57    217.943  119.638 9.1937  124.549 7.2430  -4.910797      11.70408 
1 1 1 -10 -14 37 o 162.635 4.2582  3215.47    168.037  3388.78    240.595  3050.41    234.793  166.800 5.9446  158.236 6.1153  8.564697       8.528500 
1 1 1 -10 -14 38 o 200.057 4.7872  4869.23    232.380  5073.24    332.285  4673.94    325.102  203.928 6.7154  195.717 6.8458  8.211090       9.589671 
1 1 1 -10 -14 39 o 115.548 3.7955  1623.00    106.413  1712.51    152.300  1537.62    148.745  118.581 5.2932  112.349 5.4564  6.231667       7.602035 
1 1 1 -10 -14 40 o 230.123 5.2642  6453.03    293.939  6409.23    420.003  6495.08    411.511  228.807 7.5652  230.390 7.3613  -1.582611      10.55559 
1 1 1 -10 -14 41 o 154.770 4.1833  2915.58    157.098  2807.88    225.393  3017.33    219.082  151.602 6.1273  157.221 5.7429  -5.618958      8.397912 
1 1 1 -10 -14 42 o 147.038 4.1121  2632.67    146.708  2649.17    210.593  2617.12    204.495  147.211 5.8958  146.344 5.7590  0.8677826      8.241695 
1 1 1 -10 -14 43 o 66.767  3.6403  544.251    58.751   531.427    83.501   556.823    82.678   65.744  5.2790  67.336  5.0982  -1.591820      7.338866 
1 1 1 -10 -14 44 o 91.316  3.5884  1015.47    79.509   1060.63    114.704  973.709    110.310  93.009  5.1021  89.100  5.1239  3.908607       7.230949 
1 1 1 -10 -14 45 o 96.429  3.6820  1133.20    86.151   1142.89    122.935  1123.86    120.766  96.473  5.2717  95.675  5.2219  0.7983093      7.420199 
1 1 1 -10 -14 46 o 44.053  4.8296  240.249    50.777   198.722    61.034   333.608    91.513   39.653  6.5738  51.381  7.5670  -11.72789      10.02364 
1 1 1 -10 -14 47 o 118.808 5.1144  1730.74    147.436  1627.19    194.248  1871.46    226.449  114.462 7.0281  122.523 7.6554  -8.061546      10.39230 
1 1 1 -10 -14 48 o 78.299  4.7886  753.956    90.539   747.188    115.255  764.864    146.314  77.602  6.1720  78.001  7.8367  -0.3993988     9.975403 
1 1 1 -10 -14 49 o 101.647 3.8506  1262.02    94.971   1245.41    134.760  1278.41    133.863  100.465 5.5497  101.825 5.4377  -1.359680      7.769652 
1 1 1 -10 -14 50 o 32.246  5.7224  131.776    43.133   166.072    55.271   78.356     68.981   36.102  6.5509  26.001  8.9877  10.10102       11.12178 
1 1 1 -10 -14 51 o 22.019  7.0526  59.185     42.636   44.259     53.918   84.093     69.651   21.168  7.8671  26.602  9.0362  -5.434008      11.98098 
1 1 1 -10 -14 52 o 15.791  7.3968  -67.7389   71.120   -153.1633  124.254  -26.1156   86.733   19.550  9.3379  19.979  8.8898  -0.4295540     12.89286 
1 1 1 -10 -14 53 o 17.749  7.9174  -23.5281   69.267   217.238    129.281  -120.4723  82.035   40.173  12.194  15.331  7.3905  24.84140       14.25893 
1 1 1 -10 -14 54 o 32.179  5.6470  131.808    42.483   150.206    56.557   107.987    64.355   34.037  7.0787  28.866  8.5680  5.171017       11.11395 
1 1 1 -10 -14 55 o 34.495  5.5610  151.069    44.962   118.450    59.702   193.816    68.344   30.021  8.0365  38.571  7.5728  -8.549858      11.04233 
1 1 1 -10 -14 56 o 45.843  6.4883  268.091    70.157   268.091    70.157   0.0000     0.0000   45.843  6.4883  ?       ?       0.000000       6.488304 
1 1 1 -10 -14 57 o 36.433  7.1908  173.354    61.311   173.354    61.311   0.0000     0.0000   36.433  7.1908  ?       ?       0.000000       7.190784 
1 1 1 -10 -14 58 o 15.308  6.1716  14.441     35.296   -5.4248    45.847   43.346     55.302   15.208  6.6248  20.958  7.9303  -5.749712      10.33330 
1 1 1 -10 -14 59 o 15.676  6.3805  13.694     38.131   -10.9594   47.449   58.649     64.072   15.048  6.6410  23.254  8.5891  -8.205820      10.85706 
1 1 1 -10 -14 60 o 32.733  6.1055  138.382    46.709   144.030    59.848   129.581    74.708   32.969  7.6321  31.119  9.2304  1.850262       11.97699 
1 1 1 -10 -14 61 o 15.704  6.5154  9.7829     40.764   22.455     45.041   -47.5933   95.841   17.613  7.0162  19.740  9.0091  -2.126373      11.41885 
1 1 1 -10 -14 62 o 20.844  7.2227  50.998     44.561   64.769     48.993   -14.9452   107.209  22.879  7.5766  22.487  9.9504  0.3915482      12.50655 
1 1 1 -10 -14 63 o 28.137  9.5525  100.901    77.838   0.0000     0.0000   100.901    77.838   ?       ?       28.137  9.5525  0.000000       9.552494 
1 1 1 -10 -14 64 o 51.266  10.970  370.709    132.339  0.0000     0.0000   370.709    132.339  ?       ?       51.266  10.970  0.000000       10.97033 
1 1 1 -10 -13 1  o 133.794 4.2781  2173.88    138.884  2585.88    259.806  2009.04    164.335  145.595 7.3784  128.588 5.2670  17.00647       9.065416 
1 1 1 -10 -13 2  f 209.547 4.8037  5333.14    244.242  5731.69    353.161  4967.75    338.147  217.120 6.7036  202.121 6.8949  14.99910       9.616579 
1 1 1 -10 -13 3  o 343.700 7.0128  14362.34   584.839  15453.62   835.008  13311.52   819.388  356.176 9.6619  330.490 10.218  25.68552       14.06273 
1 1 1 -10 -13 4  o 250.713 5.4385  7634.85    330.842  8253.20    475.098  7052.69    460.985  260.528 7.5156  240.808 7.8895  19.72012       10.89630 
1 1 1 -10 -13 5  o 502.931 14.138  30913.84   1725.31  0.0000     0.0000   30913.84   1725.31  ?       ?       502.931 14.138  0.000000       14.13823 
1 1 1 -10 -13 6  o 233.419 7.2516  6622.31    410.711  0.0000     0.0000   6622.31    410.711  ?       ?       233.419 7.2516  0.000000       7.251633 
1 1 1 -10 -13 7  o 266.377 8.0514  8627.30    520.396  0.0000     0.0000   8627.30    520.396  ?       ?       266.377 8.0514  0.000000       8.051441 
1 1 1 -10 -13 8  o 277.051 5.8252  9322.52    391.594  10746.09   560.648  7966.46    547.192  297.325 7.7713  255.928 8.8117  41.39749       11.74900 
1 1 1 -10 -13 9  o 471.792 13.513  27161.41   1546.88  25672.33   2201.68  28613.05   2173.83  457.150 19.849  483.003 18.549  -25.85229      27.16649 
1 1 1 -10 -13 10 o 434.193 12.400  22982.04   1306.41  22764.79   1861.91  23192.69   1833.50  431.039 17.802  435.176 17.364  -4.136353      24.86837 
1 1 1 -10 -13 11 o 302.298 9.0156  11114.82   661.292  11209.07   949.408  11026.01   921.627  303.176 12.906  300.723 12.631  2.453003       18.05824 
1 1 1 -10 -13 12 o 305.388 9.1807  11344.25   680.283  10924.73   977.011  11739.04   947.784  299.238 13.456  310.299 12.588  -11.06061      18.42634 
1 1 1 -10 -13 13 o 446.811 8.9103  24280.78   966.011  25014.19   1372.69  23561.21   1359.69  452.967 12.489  439.569 12.748  13.39713       17.84664 
1 1 1 -10 -13 14 o 461.567 9.2348  25916.76   1034.25  25994.11   1469.23  25840.79   1456.16  461.619 13.117  460.271 13.039  1.348450       18.49510 
1 1 1 -10 -13 15 o 260.039 5.6609  8212.29    357.179  8434.50    511.367  8000.61    499.111  263.397 8.0013  256.531 8.0185  6.865448       11.32769 
1 1 1 -10 -13 16 o 257.980 5.6807  8083.12    355.591  7613.95    509.245  8529.56    496.750  250.221 8.3876  264.886 7.7289  -14.66551      11.40560 
1 1 1 -10 -13 17 o 228.411 5.1614  6335.41    286.055  6388.98    406.647  6282.93    402.471  229.266 7.3099  227.357 7.2956  1.909760       10.32769 
1 1 1 -10 -13 18 o 518.744 10.323  32775.99   1299.34  32731.50   1840.32  32820.21   1834.80  517.357 14.660  518.075 14.596  -0.7185669     20.68721 
1 1 1 -10 -13 19 o 233.712 5.1961  6633.88    294.659  6681.47    418.694  6587.18    414.755  234.422 7.3610  232.763 7.3437  1.658813       10.39777 
1 1 1 -10 -13 20 o 330.046 6.9158  13243.20   553.838  12606.45   785.607  13872.35   780.906  321.637 10.066  337.476 9.5366  -15.83917      13.86646 
1 1 1 -10 -13 21 o 213.262 4.9549  5524.33    256.396  5585.23    364.630  5464.77    360.602  214.305 7.0122  211.982 7.0108  2.323349       9.915736 
1 1 1 -10 -13 22 o 134.555 3.7678  2198.22    123.014  2159.39    175.049  2236.12    172.906  133.307 5.4118  135.661 5.2528  -2.354034      7.541873 
1 1 1 -10 -13 23 o 218.672 4.9601  5809.97    263.175  5804.76    374.352  5815.06    370.056  218.406 7.0640  218.607 6.9765  -0.2018890     9.928358 
1 1 1 -10 -13 24 o 152.727 3.9642  2832.92    146.904  2851.63    209.471  2814.81    206.077  153.146 5.6371  152.158 5.5817  0.9886627      7.932994 
1 1 1 -10 -13 25 o 175.628 4.3916  3747.67    187.145  3800.97    266.392  3695.73    262.968  176.743 6.2118  174.278 6.2186  2.464569       8.789627 
1 1 1 -10 -13 26 o 212.662 6.9293  5508.73    357.557  5830.22    494.165  5155.48    518.002  218.426 9.3240  204.950 10.451  13.47600       14.00584 
1 1 1 -10 -13 27 o 369.641 10.777  16747.41   966.561  17040.30   1354.25  16443.29   1379.96  371.070 15.041  364.233 15.614  6.836487       21.68043 
1 1 1 -10 -13 28 o 310.356 9.3900  11779.50   707.117  12846.88   987.496  10656.22   1013.02  323.085 12.597  293.681 14.216  29.40457       18.99396 
1 1 1 -10 -13 29 o 106.676 3.5351  1382.15    91.501   1464.90    131.617  1304.75    127.296  109.764 4.9418  103.585 5.0647  6.179276       7.076222 
1 1 1 -10 -13 30 o 129.603 3.7285  2040.33    117.251  2048.86    167.618  2032.16    164.076  129.790 5.3225  129.266 5.2311  0.5245209      7.462828 
1 1 1 -10 -13 31 o 206.016 4.7880  5159.65    239.340  5351.04    341.240  4974.34    335.781  209.596 6.7098  202.067 6.8485  7.528931       9.587712 
1 1 1 -10 -13 32 o 80.250  3.5239  782.184    68.617   751.461    97.391   812.466    96.691   78.442  5.1454  81.600  4.9063  -3.158066      7.109677 
1 1 1 -10 -13 33 o 222.856 5.0803  6039.54    274.711  6164.93    391.387  5917.79    385.677  224.894 7.1724  220.335 7.2140  4.559906       10.17276 
1 1 1 -10 -13 34 f 121.443 5.5156  1794.39    162.527  1993.21    253.897  1656.37    211.551  127.508 8.2506  116.295 7.5376  11.21313       11.17536 
1 1 1 -10 -13 35 o 167.868 6.3096  3432.03    257.001  3449.91    392.081  3418.57    340.303  167.594 9.6829  167.078 8.4213  0.5156403      12.83270 
1 1 1 -10 -13 36 f 79.050  5.4540  764.036    103.972  815.417    172.436  734.685    130.329  81.178  8.9003  77.309  7.0245  3.869522       11.33835 
1 1 1 -10 -13 37 o 42.321  4.3150  219.992    43.690   166.566    61.376   274.872    62.205   36.319  7.2191  47.199  5.5368  -10.88042      9.097879 
1 1 1 -10 -13 38 o 108.479 3.7122  1430.06    97.711   1397.09    139.873  1461.49    136.556  106.986 5.4057  109.581 5.1358  -2.595253      7.456442 
1 1 1 -10 -13 39 o 165.526 4.2898  3332.39    172.292  3373.37    246.851  3293.47    240.585  166.325 6.1167  164.355 6.0328  1.970047       8.591205 
1 1 1 -10 -13 40 o 107.460 3.6858  1404.00    96.103   1363.53    138.666  1441.40    133.313  105.630 5.4286  108.779 5.0508  -3.149330      7.414903 
1 1 1 -10 -13 41 o 102.371 3.6965  1274.68    91.819   1293.35    131.906  1257.13    127.889  102.845 5.3040  101.404 5.2154  1.440948       7.438563 
1 1 1 -10 -13 42 o 100.918 3.6608  1239.22    89.642   1128.76    128.385  1344.30    125.220  95.977  5.5364  104.986 4.9156  -9.008583      7.403740 
1 1 1 -10 -13 43 o 109.400 3.8050  1457.40    101.004  1480.55    144.639  1435.36    141.109  110.058 5.4163  108.373 5.3663  1.684937       7.624498 
1 1 1 -10 -13 44 o 65.788  3.8077  529.065    60.521   498.083    82.845   564.522    88.626   63.574  5.4224  67.706  5.4407  -4.132374      7.681382 
1 1 1 -10 -13 45 o 72.816  3.8128  648.135    67.132   610.042    92.606   690.323    97.456   70.354  5.4678  74.880  5.4001  -4.525566      7.684942 
1 1 1 -10 -13 46 o 64.059  4.8388  504.962    74.656   485.424    95.330   535.949    120.054  62.473  6.3784  65.320  7.7243  -2.846466      10.01743 
1 1 1 -10 -13 47 o 60.441  4.8058  450.104    69.897   405.715    88.123   525.406    114.776  56.994  6.4879  64.685  7.4489  -7.690784      9.878234 
1 1 1 -10 -13 48 f 60.014  4.8653  444.251    70.237   510.622    88.618   332.117    115.187  64.170  5.7526  50.521  9.7498  13.64891       11.32037 
1 1 1 -10 -13 49 o 46.732  4.4399  269.662    49.740   271.920    66.538   266.802    74.885   46.592  6.0269  45.915  6.9380  0.6765900      9.190174 
1 1 1 -10 -13 50 o 39.423  5.1884  194.124    48.425   169.129    60.140   240.210    81.661   36.318  7.0789  43.183  8.0909  -6.864742      10.75050 
1 1 1 -10 -13 51 o 45.357  4.6462  254.877    50.411   222.960    66.330   298.522    77.566   41.893  6.7552  48.610  6.7592  -6.717571      9.556128 
1 1 1 -10 -13 52 o 28.596  9.0769  102.894    70.745   -111.8187  146.431  168.271    80.801   23.134  10.763  35.745  9.2463  -12.61125      14.18901 
1 1 1 -10 -13 53 o 55.805  7.8927  398.855    103.891  0.0000     0.0000   398.855    103.891  ?       ?       55.805  7.8927  0.000000       7.892734 
1 1 1 -10 -13 54 o 48.056  4.4718  286.267    51.545   235.175    70.493   344.969    75.561   42.822  7.0284  52.362  6.0592  -9.540161      9.279662 
1 1 1 -10 -13 55 o 47.768  4.4402  283.126    50.875   298.121    72.493   268.574    71.416   48.499  6.3096  45.901  6.6022  2.598141       9.132348 
1 1 1 -10 -13 56 o 61.455  5.7273  473.872    84.418   473.872    84.418   0.0000     0.0000   61.455  5.7273  ?       ?       0.000000       5.727286 
1 1 1 -10 -13 57 o 39.124  5.0350  192.642    46.688   197.888    65.006   187.054    67.098   39.006  7.1313  37.745  7.5894  1.260174       10.41413 
1 1 1 -10 -13 58 o 51.343  4.6690  328.599    57.530   302.416    77.396   360.927    86.002   48.534  6.7554  53.057  6.8397  -4.522930      9.613348 
1 1 1 -10 -13 59 o 50.588  4.9887  320.387    60.437   231.950    79.395   442.242    93.196   41.877  8.1067  58.872  6.6401  -16.99588      10.47901 
1 1 1 -10 -13 60 o 18.761  6.8095  37.778     40.012   18.073     48.403   80.302     71.106   17.645  7.1861  25.887  9.1145  -8.241621      11.60666 
1 1 1 -10 -13 61 o 34.377  6.7821  153.971    54.561   140.188    62.291   199.398    113.087  32.460  7.9677  37.895  11.383  -5.434433      13.89453 
1 1 1 -10 -13 62 o 31.065  5.8696  124.468    42.621   107.926    50.454   165.685    79.641   28.590  7.2596  34.946  9.2483  -6.355406      11.75725 
1 1 1 -10 -13 63 o 56.124  7.2583  407.861    96.527   0.0000     0.0000   407.861    96.527   ?       ?       56.124  7.2583  0.000000       7.258261 
1 1 1 -10 -12 1  o 143.666 5.5118  2507.44    192.138  2945.33    283.689  2136.35    261.155  155.616 7.5132  132.251 8.1785  23.36458       11.10565 
1 1 1 -10 -12 2  o 127.135 5.2213  1963.09    161.068  2138.16    237.913  1814.95    218.849  132.401 7.4357  121.951 7.4314  10.45046       10.51266 
1 1 1 -10 -12 3  o 205.248 4.7434  5115.04    236.230  5378.20    341.578  4873.77    327.053  210.376 6.6916  200.266 6.7305  10.11046       9.490901 
1 1 1 -10 -12 4  o 397.897 11.350  19292.25   1095.83  0.0000     0.0000   19292.25   1095.83  ?       ?       397.897 11.350  0.000000       11.35031 
1 1 1 -10 -12 5  o 596.041 16.624  43486.98   2404.20  0.0000     0.0000   43486.98   2404.20  ?       ?       596.041 16.624  0.000000       16.62383 
1 1 1 -10 -12 6  o 357.394 10.289  15547.25   892.270  0.0000     0.0000   15547.25   892.270  ?       ?       357.394 10.289  0.000000       10.28928 
1 1 1 -10 -12 7  o 602.474 11.839  44221.85   1730.68  44633.16   2454.68  43815.28   2440.47  604.002 16.749  598.425 16.807  5.576965       23.72810 
1 1 1 -10 -12 8  o 725.676 14.169  64265.00   2494.78  64452.06   3535.34  64079.43   3521.00  724.579 20.109  722.492 20.085  2.087524       28.42108 
1 1 1 -10 -12 9  o 597.531 11.771  43490.18   1706.67  43402.11   2420.50  43577.23   2406.74  595.710 16.746  596.948 16.616  -1.237671      23.59059 
1 1 1 -10 -12 10 o 404.833 11.752  19961.85   1154.39  18936.70   1647.58  20950.42   1617.93  393.406 17.260  414.021 16.105  -20.61536      23.60710 
1 1 1 -10 -12 11 o 411.546 12.044  20633.13   1202.72  18657.73   1716.15  22539.87   1686.06  390.334 18.120  429.429 16.181  -39.09506      24.29336 
1 1 1 -10 -12 12 o 396.458 11.568  19142.15   1112.83  17961.33   1589.27  20278.02   1558.73  383.171 17.094  407.385 15.769  -24.21375      23.25641 
1 1 1 -10 -12 13 o 593.013 13.452  42887.38   1935.65  43735.37   2376.03  41214.11   3337.64  598.098 16.372  578.136 23.793  19.96259       28.88175 
1 1 1 -10 -12 14 o 703.727 13.835  60419.90   2362.39  57219.56   3347.66  63594.59   3334.22  682.674 20.210  720.163 19.081  -37.48962      27.79429 
1 1 1 -10 -12 15 o 589.478 11.609  42327.85   1660.42  41366.68   2350.90  43284.61   2345.49  581.504 16.662  594.953 16.248  -13.44867      23.27209 
1 1 1 -10 -12 16 o 350.808 7.0924  14953.75   603.705  14753.41   856.117  15151.91   851.436  348.167 10.134  352.858 9.9446  -4.691620      14.19837 
1 1 1 -10 -12 17 o 601.818 11.887  44142.11   1735.88  44225.53   2457.48  44059.04   2452.33  601.003 16.852  599.872 16.848  1.131165       23.82966 
1 1 1 -10 -12 18 o 386.082 7.9016  18122.67   740.214  18076.93   1049.16  18168.00   1044.50  385.177 11.226  386.157 11.148  -0.9805908     15.82045 
1 1 1 -10 -12 19 o 200.741 4.7022  4892.79    229.035  5103.59    325.783  4686.79    322.056  204.941 6.5514  196.385 6.7587  8.556595       9.412787 
1 1 1 -10 -12 20 o 123.449 3.6691  1849.89    109.905  1767.40    156.426  1930.32    154.451  120.629 5.3443  126.074 5.0490  -5.445023      7.352134 
1 1 1 -10 -12 21 o 133.215 3.7794  2154.36    122.164  2126.05    173.853  2181.97    171.698  132.292 5.4161  134.025 5.2798  -1.732666      7.563720 
1 1 1 -10 -12 22 o 110.911 3.5267  1493.34    94.910   1467.79    135.328  1518.08    133.145  109.921 5.0739  111.793 4.9085  -1.871933      7.059581 
1 1 1 -10 -12 23 o 218.647 4.9228  5807.95    261.165  5760.21    371.224  5854.75    367.491  217.590 7.0313  219.379 6.9038  -1.789459      9.853992 
1 1 1 -10 -12 24 o 459.248 9.2729  25730.67   1033.30  25349.22   1463.85  26109.48   1458.79  454.507 13.274  461.366 13.031  -6.860016      18.60112 
1 1 1 -10 -12 25 o 292.284 6.2015  10393.50   439.809  10458.08   624.346  10329.89   619.650  292.777 8.7887  290.979 8.7765  1.797485       12.42045 
1 1 1 -10 -12 26 o 117.996 5.0573  1692.62    144.793  1682.27    195.172  1705.30    215.936  117.331 6.8857  118.046 7.5790  -0.7143555     10.23982 
1 1 1 -10 -12 27 o 170.323 5.9921  3530.45    247.637  3562.53    338.586  3493.55    363.122  170.868 8.1666  168.887 8.8926  1.981369       12.07359 
1 1 1 -10 -12 28 o 28.289  6.7367  101.398    45.578   128.313    57.366   55.325     75.055   31.807  7.5467  24.699  9.2617  7.107784       11.94705 
1 1 1 -10 -12 29 o 188.306 4.5898  4309.97    209.711  4505.51    298.982  4120.59    294.229  192.360 6.4057  183.940 6.5924  8.420135       9.192002 
1 1 1 -10 -12 30 o 152.283 4.0867  2817.55    151.004  2841.76    215.810  2794.33    211.364  152.820 5.8200  151.545 5.7481  1.275177       8.180080 
1 1 1 -10 -12 31 o 187.929 4.5285  4292.40    206.498  4386.94    294.593  4201.08    289.537  189.817 6.3962  185.750 6.4241  4.067535       9.065336 
1 1 1 -10 -12 32 o 107.506 3.5918  1403.76    93.692   1395.43    134.032  1411.73    131.021  107.121 5.1566  107.752 5.0113  -0.6308441     7.190566 
1 1 1 -10 -12 33 o 95.177  3.6428  1100.32    84.126   1059.68    119.864  1139.77    118.100  93.189  5.3231  96.684  5.0518  -3.494743      7.338650 
1 1 1 -10 -12 34 o 81.820  5.4440  817.976    107.461  602.703    175.552  946.976    135.896  69.316  10.789  87.951  6.4122  -18.63409      12.55034 
1 1 1 -10 -12 35 o 169.402 6.2445  3494.64    256.674  3866.94    392.234  3215.80    339.445  177.591 9.1334  161.997 8.6671  15.59380       12.59121 
1 1 1 -10 -12 36 o 104.478 5.4702  1331.94    138.190  1374.20    222.401  1305.36    176.368  105.663 8.7535  103.225 7.0845  2.437355       11.26111 
1 1 1 -10 -12 37 o 107.869 3.6418  1413.70    95.319   1383.98    136.427  1442.05    133.231  106.644 5.2723  108.872 5.0434  -2.228142      7.296121 
1 1 1 -10 -12 38 o 60.920  3.7662  452.741    55.398   409.998    78.737   494.642    77.957   57.743  5.6939  63.550  5.0986  -5.806911      7.643011 
1 1 1 -10 -12 39 o 50.786  3.9950  315.526    48.832   169.408    69.691   456.459    68.443   36.501  8.0820  61.072  4.6538  -24.57082      9.326092 
1 1 1 -10 -12 40 o 68.431  3.6972  571.018    61.161   625.595    86.614   516.739    86.377   71.490  5.0251  64.871  5.5408  6.619759       7.480097 
1 1 1 -10 -12 41 o 140.810 4.1027  2413.10    140.174  2352.75    199.749  2471.65    196.758  138.799 5.9311  142.299 5.6986  -3.500107      8.225074 
1 1 1 -10 -12 42 o 49.129  4.2146  296.114    49.755   322.808    66.809   262.872    74.554   51.128  5.4702  45.809  6.9234  5.319294       8.823668 
1 1 1 -10 -12 43 o 120.109 3.9507  1757.26    115.137  1765.80    163.657  1748.89    162.014  120.155 5.6134  119.584 5.5836  0.5715408      7.917530 
1 1 1 -10 -12 44 o 24.183  6.0230  74.521     35.209   82.105     44.138   61.252     58.382   25.427  6.9539  23.568  8.2615  1.858931       10.79858 
1 1 1 -10 -12 45 o 47.327  4.3374  275.710    49.254   326.566    64.901   206.641    75.635   51.378  5.2812  40.158  8.0426  11.22007       9.621556 
1 1 1 -10 -12 46 o 37.332  5.7385  174.984    50.317   197.373    61.936   131.524    86.292   39.483  6.7048  32.291  9.9924  7.192036       12.03336 
1 1 1 -10 -12 47 o 53.171  5.0419  349.547    64.270   346.167    79.222   356.055    109.921  52.629  6.3308  52.669  8.9196  -0.3992844E-01 10.93793 
1 1 1 -10 -12 48 o 14.150  5.9528  3.4239     34.736   11.228     39.853   -21.2493   70.861   15.862  6.4971  18.213  8.0729  -2.351754      10.36260 
1 1 1 -10 -12 49 o 36.988  5.2238  171.217    45.579   176.085    58.268   163.543    73.160   37.184  6.7049  35.444  8.5953  1.739410       10.90115 
1 1 1 -10 -12 50 o 42.380  4.6876  222.779    47.396   245.343    61.826   190.618    73.811   44.232  5.9084  38.347  8.1821  5.884289       10.09237 
1 1 1 -10 -12 51 o 44.305  4.8542  243.779    51.330   247.276    71.253   240.007    74.008   44.131  6.8785  43.347  7.2955  0.7831154      10.02684 
1 1 1 -10 -12 52 o 33.297  9.3493  145.214    78.637   0.0000     0.0000   145.214    78.637   ?       ?       33.297  9.3493  0.000000       9.349265 
1 1 1 -10 -12 53 o 32.235  9.0013  136.355    73.103   137.687    151.482  135.950    83.466   35.032  13.154  32.310  9.7959  2.722397       16.40046 
1 1 1 -10 -12 54 o 107.546 3.9529  1418.00    103.152  1415.36    146.921  1420.56    144.858  106.707 5.6951  106.945 5.6019  -0.2379303     7.988445 
1 1 1 -10 -12 55 o 73.062  5.6888  666.783    100.056  666.783    100.056  0.0000     0.0000   73.062  5.6888  ?       ?       0.000000       5.688816 
1 1 1 -10 -12 56 o 96.302  5.8571  1159.98    136.211  1159.98    136.211  0.0000     0.0000   96.302  5.8571  ?       ?       0.000000       5.857075 
1 1 1 -10 -12 57 o 33.972  5.5796  147.208    44.396   145.749    61.513   148.794    64.141   33.188  7.7750  33.481  8.0040  -0.2930984     11.15860 
1 1 1 -10 -12 58 o 58.023  4.4878  418.145    62.691   390.867    83.338   453.702    95.149   55.465  6.3044  59.643  6.6901  -4.178055      9.192567 
1 1 1 -10 -12 59 f 24.659  6.5902  79.327     40.186   148.904    49.336   -57.8347   69.271   33.964  6.2157  15.803  7.3689  18.16071       9.640320 
1 1 1 -10 -12 60 o 54.520  5.4047  373.327    70.555   387.456    83.974   339.409    130.109  55.189  6.3891  49.429  11.118  5.759792       12.82280 
1 1 1 -10 -12 61 o 32.414  7.1136  137.960    54.412   140.697    63.693   130.568    104.673  32.498  8.1049  31.907  11.069  0.5908508      13.71904 
1 1 1 -10 -12 62 o 35.229  9.3120  168.600    80.805   0.0000     0.0000   168.600    80.805   ?       ?       35.229  9.3120  0.000000       9.311985 
1 1 1 -10 -12 63 o 27.635  9.2546  97.926     73.048   0.0000     0.0000   97.926     73.048   ?       ?       27.635  9.2546  0.000000       9.254557 
1 1 1 -10 -11 1  o 71.881  4.5746  629.877    79.372   645.930    122.312  618.200    104.321  72.561  7.0355  71.073  6.1087  1.488342       9.317389 
1 1 1 -10 -11 2  o 234.916 7.3513  6707.52    419.027  7421.25    601.735  6035.58    583.857  246.900 10.044  222.600 10.810  24.30069       14.75600 
1 1 1 -10 -11 3  o 294.608 8.7221  10555.56   623.490  0.0000     0.0000   10555.56   623.490  ?       ?       294.608 8.7221  0.000000       8.722096 
1 1 1 -10 -11 4  o 420.359 11.952  21530.46   1219.07  0.0000     0.0000   21530.46   1219.07  ?       ?       420.359 11.952  0.000000       11.95213 
1 1 1 -10 -11 5  o 350.390 10.128  14939.44   861.080  0.0000     0.0000   14939.44   861.080  ?       ?       350.390 10.128  0.000000       10.12809 
1 1 1 -10 -11 6  o 339.773 6.9543  14025.05   573.336  15346.63   817.940  12748.52   803.882  355.213 9.4901  323.685 10.235  31.52808       13.95799 
1 1 1 -10 -11 7  o 269.546 5.8861  8822.98    384.969  7868.76    550.944  9733.36    538.138  254.396 8.9255  283.007 7.8367  -28.61111      11.87764 
1 1 1 -10 -11 8  o 407.085 8.2424  20142.01   814.149  20191.82   1157.97  20093.32   1144.91  407.207 11.720  406.225 11.616  0.9811096      16.50068 
1 1 1 -10 -11 9  o 115.087 3.5006  1607.41    97.752   1656.59    143.058  1564.33    133.882  116.813 5.0473  113.517 4.8607  3.296577       7.007222 
1 1 1 -10 -11 10 o 660.018 18.398  53327.11   2946.36  53207.53   4183.27  53444.83   4150.49  656.234 26.272  657.817 26.003  -1.582642      36.96478 
1 1 1 -10 -11 11 o 649.823 18.344  51689.72   2892.32  49017.90   4106.87  54319.02   4074.05  629.601 26.883  663.486 25.306  -33.88544      36.92048 
1 1 1 -10 -11 12 o 116.134 5.1363  1637.42    144.734  1535.13    217.762  1718.36    193.712  112.102 8.0596  118.748 6.7510  -6.645752      10.51342 
1 1 1 -10 -11 13 o 392.983 11.346  18801.49   1081.87  18758.11   1546.80  18843.03   1513.73  391.811 16.270  392.763 15.884  -0.9515686     22.73800 
1 1 1 -10 -11 14 o 277.787 6.0474  9371.20    407.613  9522.61    578.562  9221.97    574.364  279.884 8.5194  275.425 8.5945  4.458466       12.10144 
1 1 1 -10 -11 15 o 322.744 6.6822  12653.13   523.291  12357.68   742.197  12945.18   737.912  318.741 9.5966  326.254 9.3215  -7.512634      13.37852 
1 1 1 -10 -11 16 o 351.246 7.1768  14990.21   611.656  14558.69   867.156  15417.48   862.883  345.875 10.333  355.966 9.9903  -10.09109      14.37259 
1 1 1 -10 -11 17 o 418.344 8.5635  21279.84   869.257  20901.73   1231.54  21655.23   1227.10  414.129 12.256  421.567 11.996  -7.438690      17.15000 
1 1 1 -10 -11 18 f 303.790 6.3483  11210.98   467.942  11040.92   663.606  11379.17   659.950  301.274 9.0779  305.870 8.8922  -4.596436      12.70744 
1 1 1 -10 -11 19 o 223.713 5.0680  6077.14    275.100  5949.36    390.702  6202.78    387.420  221.245 7.2779  225.920 7.0675  -4.674728      10.14482 
1 1 1 -10 -11 20 o 68.888  3.3649  575.982    56.244   635.617    79.259   515.489    79.826   72.211  4.5467  64.952  5.1063  7.259056       6.837173 
1 1 1 -10 -11 21 o 178.028 4.3893  3848.22    189.604  3736.80    269.206  3957.89    267.087  175.355 6.3271  180.479 6.0990  -5.123459      8.788059 
1 1 1 -10 -11 22 o 247.921 5.5930  7468.08    336.454  7555.67    477.900  7382.00    473.764  249.186 7.9040  246.303 7.9273  2.882568       11.19448 
1 1 1 -10 -11 23 o 165.680 4.3266  3333.64    173.934  3350.65    247.408  3317.01    244.576  166.017 6.1418  165.184 6.1022  0.8332367      8.657847 
1 1 1 -10 -11 24 o 424.068 8.6387  21918.88   888.890  21506.36   1259.25  22328.58   1254.92  419.037 12.385  427.061 12.111  -8.023743      17.32204 
1 1 1 -10 -11 25 o 387.410 7.8010  18286.67   733.308  18607.91   1039.35  17968.25   1034.77  389.980 10.984  383.175 11.130  6.804688       15.63700 
1 1 1 -10 -11 26 o 274.558 8.3680  9195.64    557.468  9261.81    774.816  9124.61    802.679  274.848 11.618  272.676 12.132  2.172455       16.79789 
1 1 1 -10 -11 27 o 200.820 6.5769  4910.66    320.474  4581.62    440.383  5281.08    467.246  193.610 9.3743  207.882 9.2633  -14.27226      13.17901 
1 1 1 -10 -11 28 o 83.731  4.8293  855.148    97.700   896.422    128.948  799.519    149.700  85.585  6.2527  80.600  7.7501  4.984482       9.957967 
1 1 1 -10 -11 29 o 72.600  3.4686  640.125    61.103   627.787    88.038   651.592    84.873   71.673  5.0955  73.054  4.8151  -1.380302      7.010649 
1 1 1 -10 -11 30 o 214.128 4.9710  5574.58    258.272  5725.09    367.427  5427.59    363.116  216.774 6.9855  211.053 7.0907  5.720840       9.953688 
1 1 1 -10 -11 31 o 254.722 5.5796  7892.87    344.855  7847.85    490.145  7937.00    485.289  253.641 7.9642  255.099 7.8402  -1.458023      11.17574 
1 1 1 -10 -11 32 o 106.342 3.6613  1373.58    94.472   1453.53    135.020  1296.90    132.230  109.334 5.0895  103.130 5.3022  6.203667       7.349591 
1 1 1 -10 -11 33 o 38.436  4.5707  182.091    41.792   134.754    58.465   231.549    59.761   32.599  7.5414  43.232  5.8470  -10.63345      9.542560 
1 1 1 -10 -11 34 o 81.080  5.4743  803.361    107.067  779.265    173.335  818.226    136.144  79.323  9.1752  81.653  6.9373  -2.330795      11.50264 
1 1 1 -10 -11 35 o 182.467 6.6439  4056.28    294.149  3980.79    445.654  4114.56    391.556  179.957 10.249  183.483 8.7950  -3.525681      13.50502 
1 1 1 -10 -11 36 o 21.404  8.2657  36.084     60.888   -29.8959   112.783  63.226     72.335   23.379  10.281  25.157  9.1519  -1.777170      13.76467 
1 1 1 -10 -11 37 o 123.695 3.8144  1859.22    114.483  1865.46    164.125  1853.30    159.768  123.799 5.4638  123.404 5.3358  0.3950806      7.636989 
1 1 1 -10 -11 38 o 217.739 5.1505  5770.34    272.115  5457.42    387.993  6073.25    381.740  211.360 7.5655  223.068 7.0529  -11.70731      10.34310 
1 1 1 -10 -11 39 o 51.325  4.7635  323.315    58.645   250.758    82.626   396.974    83.251   44.621  7.9217  56.727  6.1467  -12.10643      10.02673 
1 1 1 -10 -11 40 o 207.289 5.0053  5234.17    251.752  5079.40    358.555  5384.66    353.559  203.748 7.2527  209.856 6.9435  -6.107269      10.04057 
1 1 1 -10 -11 41 o 151.390 4.2414  2790.10    155.799  2717.30    221.313  2861.64    219.367  149.126 6.1163  153.072 5.9063  -3.946274      8.502553 
1 1 1 -10 -11 42 o 98.807  3.7753  1188.22    90.510   1115.76    126.170  1265.05    129.913  95.425  5.4720  101.660 5.2849  -6.235306      7.607480 
1 1 1 -10 -11 43 o 82.142  3.8511  821.781    76.756   799.921    105.871  846.004    111.443  80.709  5.4379  82.987  5.5667  -2.278419      7.781961 
1 1 1 -10 -11 44 o 52.533  4.2055  338.724    53.158   342.106    70.600   334.296    80.776   52.561  5.6229  51.757  6.5809  0.8045235      8.655952 
1 1 1 -10 -11 45 f 62.853  3.9320  483.652    59.664   518.572    81.253   442.789    87.895   64.877  5.2054  59.725  6.1532  5.151779       8.059663 
1 1 1 -10 -11 46 o 47.275  5.3477  277.441    60.263   300.774    75.557   236.648    99.905   48.991  6.5179  42.584  9.8627  6.406826       11.82186 
1 1 1 -10 -11 47 o 142.585 5.6263  2498.41    194.653  2475.73    258.325  2528.21    296.082  141.016 7.5775  141.971 8.6361  -0.9542694     11.48921 
1 1 1 -10 -11 48 o 56.433  5.0434  393.620    68.332   433.440    84.225   316.936    116.881  59.033  5.9617  49.217  10.125  9.816269       11.74996 
1 1 1 -10 -11 49 f 67.153  4.0288  553.040    65.342   530.128    88.925   579.930    96.335   65.398  5.6598  68.370  5.8638  -2.972237      8.149661 
1 1 1 -10 -11 50 f 48.048  4.4722  285.127    51.540   282.891    67.867   288.174    79.219   47.520  6.0211  47.695  7.0585  -0.1752739     9.277702 
1 1 1 -10 -11 51 o 46.461  4.5895  267.214    51.063   247.481    67.067   294.429    78.763   44.265  6.4326  48.215  6.9317  -3.950321      9.456589 
1 1 1 -10 -11 52 o 23.141  8.5024  55.696     62.654   -54.0515   139.036  83.661     70.183   24.451  11.036  26.532  9.0704  -2.081347      14.28527 
1 1 1 -10 -11 53 o ?       ?       -162.0388  43.465   -76.3540   115.542  -176.1634  46.911   21.073  9.7184  ?       ?       0.000000       9.718358 
1 1 1 -10 -11 54 o 31.441  7.2030  128.831    53.772   128.831    53.772   0.0000     0.0000   31.441  7.2030  ?       ?       0.000000       7.203039 
1 1 1 -10 -11 55 o 48.376  6.2915  296.718    72.103   296.718    72.103   0.0000     0.0000   48.376  6.2915  ?       ?       0.000000       6.291542 
1 1 1 -10 -11 56 o 42.079  4.7028  221.224    47.195   242.980    66.361   198.957    67.135   43.596  6.4696  39.084  7.3490  4.512005       9.791006 
1 1 1 -10 -11 57 o 43.385  4.8243  235.616    49.926   225.821    69.917   245.806    71.315   41.716  7.1656  43.633  6.9705  -1.917316      9.996697 
1 1 1 -10 -11 58 o 27.318  6.6944  97.710     44.026   137.613    54.350   21.561     75.082   32.380  7.1123  21.240  8.8299  11.13939       11.33805 
1 1 1 -10 -11 59 o 63.020  4.5022  492.870    68.391   439.250    90.913   562.771    103.802  58.765  6.4839  66.582  6.5084  -7.816998      9.186931 
1 1 1 -10 -11 60 o 29.005  7.2951  110.833    51.293   78.623     58.631   215.894    105.889  25.080  8.2875  39.520  10.755  -14.43958      13.57787 
1 1 1 -10 -11 61 o 67.594  5.0873  570.137    82.826   579.424    99.156   548.699    150.652  67.742  6.0979  63.855  10.056  3.886944       11.76039 
1 1 1 -10 -11 62 o 33.357  9.6161  150.997    82.103   0.0000     0.0000   150.997    82.103   ?       ?       33.357  9.6161  0.000000       9.616148 
1 1 1 -10 -11 63 o 38.640  5.3025  189.556    48.403   192.018    58.789   184.374    85.286   38.475  6.5307  36.624  9.5122  1.851784       11.53826 
1 1 1 -10 -10 1  o 367.113 10.602  16410.39   944.389  17154.07   1345.63  15688.55   1325.73  374.691 14.801  358.250 15.251  16.44104       21.25243 
1 1 1 -10 -10 2  o 58.450  5.8585  419.072    81.970   0.0000     0.0000   419.072    81.970   ?       ?       58.450  5.8585  0.000000       5.858529 
1 1 1 -10 -10 3  o 523.048 20.838  33606.58   2644.64  0.0000     0.0000   33606.58   2644.64  ?       ?       523.048 20.838  0.000000       20.83824 
1 1 1 -10 -10 4  o 238.353 7.3638  6902.81    425.879  0.0000     0.0000   6902.81    425.879  ?       ?       238.353 7.3638  0.000000       7.363800 
1 1 1 -10 -10 5  o 347.792 7.2156  14695.31   608.915  13792.42   868.478  15568.31   853.976  336.664 10.632  357.760 9.8376  -21.09573      14.48481 
1 1 1 -10 -10 6  o 335.476 7.0135  13671.47   570.903  13026.30   814.285  14295.20   800.644  327.225 10.256  342.848 9.6244  -15.62338      14.06445 
1 1 1 -10 -10 7  o 292.868 6.3178  10416.58   448.951  8897.51    641.264  11876.94   628.747  270.479 9.7710  312.609 8.2892  -42.12955      12.81338 
1 1 1 -10 -10 8  o 250.091 5.4898  7593.89    333.136  7844.91    477.183  7355.23    465.292  254.095 7.7397  246.034 7.7941  8.060730       10.98414 
1 1 1 -10 -10 9  o 279.594 5.9963  9492.55    406.797  9665.27    581.589  9327.11    569.207  281.996 8.4998  277.021 8.4682  4.975220       11.99823 
1 1 1 -10 -10 10 o 137.033 5.4653  2279.89    181.720  2184.75    270.471  2358.17    245.344  133.815 8.3722  139.135 7.2927  -5.319534      11.10307 
1 1 1 -10 -10 11 o 275.237 8.4363  9207.23    563.410  9079.01    812.922  9325.75    781.566  273.041 12.270  276.779 11.638  -3.738068      16.91151 
1 1 1 -10 -10 12 o 241.276 7.5984  7072.96    444.839  7157.94    645.040  6995.88    614.281  242.529 10.961  239.794 10.558  2.734756       15.21876 
1 1 1 -10 -10 13 o 292.358 9.0692  10391.61   643.349  9011.94    926.289  11677.42   894.224  271.491 14.110  309.682 11.901  -38.19113      18.45846 
1 1 1 -10 -10 14 o 340.507 7.0720  14084.90   584.294  13969.47   828.206  14199.29   824.441  338.881 10.072  341.668 9.9447  -2.787628      14.15441 
1 1 1 -10 -10 15 o 348.680 7.1560  14770.09   605.422  15466.53   858.094  14079.78   854.312  356.581 9.9178  340.180 10.350  16.40094       14.33478 
1 1 1 -10 -10 16 o 236.181 5.1208  6772.35    293.456  6918.00    416.497  6628.77    413.538  238.623 7.1934  233.577 7.2966  5.046295       10.24626 
1 1 1 -10 -10 17 o 535.469 10.709  34901.02   1391.37  34877.78   1969.60  34924.16   1965.80  534.398 15.190  534.763 15.150  -0.3644409     21.45344 
1 1 1 -10 -10 18 o 49.631  3.6036  300.533    43.100   292.870    63.104   307.234    59.007   48.811  5.4197  50.064  4.9211  -1.252850      7.320525 
1 1 1 -10 -10 19 o 372.806 7.6445  16893.75   691.507  17089.64   979.654  16699.21   976.233  374.609 10.778  370.294 10.865  4.315277       15.30413 
1 1 1 -10 -10 20 o 258.836 5.6249  8137.13    353.266  8286.23    501.224  7989.96    497.980  261.054 7.9129  256.338 8.0064  4.716248       11.25683 
1 1 1 -10 -10 21 f 165.018 4.2961  3306.10    172.018  3270.29    244.577  3341.16    241.985  164.059 6.1440  165.833 6.0139  -1.773407      8.597412 
1 1 1 -10 -10 22 o 298.132 6.3990  10803.42   462.895  11296.71   656.335  10315.21   652.943  304.600 8.8804  291.023 9.2466  13.57675       12.82035 
1 1 1 -10 -10 23 o 152.073 4.0483  2808.09    149.378  2922.20    212.613  2696.86    209.916  155.070 5.6507  148.964 5.8077  6.105942       8.103027 
1 1 1 -10 -10 24 o 273.738 5.9435  9110.17    394.770  9296.75    559.937  8925.77    556.655  276.240 8.3539  270.656 8.4763  5.584412       11.90102 
1 1 1 -10 -10 25 o 200.051 4.7805  4862.90    232.045  4960.05    329.736  4767.58    326.610  201.884 6.7313  197.921 6.8010  3.962158       9.568930 
1 1 1 -10 -10 26 o 142.831 5.4928  2480.76    190.362  2424.41    256.661  2549.66    283.805  140.857 7.5370  144.375 8.1346  -3.518570      11.08953 
1 1 1 -10 -10 27 o 87.053  4.7850  923.919    100.682  896.722    132.921  960.525    154.212  85.584  6.4482  88.492  7.2456  -2.908745      9.699396 
1 1 1 -10 -10 28 o 250.754 7.8408  7669.26    477.062  7774.02    659.436  7554.24    691.005  251.861 10.791  248.111 11.478  3.749710       15.75390 
1 1 1 -10 -10 29 o 392.004 8.0922  18748.76   769.703  19227.94   1090.86  18273.65   1086.20  395.901 11.356  385.858 11.602  10.04266       16.23431 
1 1 1 -10 -10 30 o 171.809 4.3634  3587.03    181.900  3416.62    258.476  3754.24    256.032  167.525 6.3588  175.640 6.0077  -8.114746      8.747954 
1 1 1 -10 -10 31 o 48.856  3.9399  291.842    46.308   342.319    65.877   242.536    65.109   52.803  5.2097  44.206  6.2439  8.596905       8.131884 
1 1 1 -10 -10 32 o 104.420 3.6414  1324.34    92.260   1338.67    131.785  1310.56    129.204  104.922 5.1765  103.817 5.1291  1.105110       7.287241 
1 1 1 -10 -10 33 o 78.238  3.6331  743.491    68.970   595.274    97.227   893.624    97.853   69.705  5.8012  85.610  4.7291  -15.90502      7.484539 
1 1 1 -10 -10 34 o 212.266 7.0685  5491.15    364.059  5968.37    544.226  5104.64    489.783  220.765 10.160  204.218 9.8843  16.54738       14.17463 
1 1 1 -10 -10 35 o 74.167  5.7414  673.425    102.518  756.158    165.044  621.450    130.815  78.167  8.8582  70.958  7.7226  7.209396       11.75189 
1 1 1 -10 -10 36 o 91.282  5.9848  1018.85    131.822  1165.37    202.097  910.354    173.911  97.265  8.6536  85.909  8.4525  11.35641       12.09670 
1 1 1 -10 -10 37 o 191.911 4.8619  4479.80    226.398  4396.93    322.025  4560.79    318.357  189.865 6.9901  193.400 6.7841  -3.535522      9.740894 
1 1 1 -10 -10 38 o 368.769 8.8912  16658.08   795.568  16817.01   1360.94  16575.57   980.559  367.103 15.279  366.915 11.014  0.1879272      18.83472 
1 1 1 -10 -10 39 o 193.755 5.3964  4573.08    253.700  4440.94    421.935  4647.90    317.505  190.213 9.1420  195.117 6.7064  -4.904495      11.33811 
1 1 1 -10 -10 40 o 130.520 4.1446  2072.63    131.258  2112.39    185.402  2032.67    185.854  131.586 5.8068  129.063 5.9348  2.522705       8.303074 
1 1 1 -10 -10 41 o 189.859 4.7246  4392.30    217.652  4135.04    310.621  4640.43    305.067  183.747 6.9670  194.782 6.4548  -11.03513      9.497562 
1 1 1 -10 -10 42 o 91.539  3.8038  1019.99    84.487   946.785    118.687  1095.19    120.294  87.849  5.5972  94.567  5.2634  -6.717163      7.683187 
1 1 1 -10 -10 43 o 122.862 3.9879  1839.13    118.884  1856.96    168.154  1821.32    168.102  123.197 5.6253  121.999 5.6787  1.197823       7.993228 
1 1 1 -10 -10 44 o 56.300  4.1115  388.577    55.777   364.459    77.399   414.634    80.451   54.193  5.9860  57.881  5.8067  -3.687469      8.339641 
1 1 1 -10 -10 45 o 24.039  6.2799  73.663     37.032   103.475    50.458   38.857     54.520   28.411  7.2849  20.772  7.8706  7.638437       10.72456 
1 1 1 -10 -10 46 o 73.528  4.9351  664.889    87.537   719.022    110.035  571.572    144.472  76.238  5.9968  67.030  9.1196  9.207619       10.91457 
1 1 1 -10 -10 47 o 125.629 5.3966  1937.68    164.502  2014.33    215.845  1831.46    254.086  127.392 7.0098  120.702 8.7347  6.690033       11.19965 
1 1 1 -10 -10 48 o 58.458  3.9253  419.204    55.355   510.191    78.422   328.856    78.146   64.299  5.0676  51.229  6.4283  13.07023       8.185617 
1 1 1 -10 -10 49 o 80.339  3.9494  788.585    76.988   721.884    106.143  862.631    111.835  76.356  5.7717  83.566  5.5470  -7.210304      8.005114 
1 1 1 -10 -10 50 o 79.513  3.9507  772.796    76.221   723.525    104.957  827.779    110.873  76.426  5.7009  81.797  5.6204  -5.370453      8.005567 
1 1 1 -10 -10 51 o 107.243 4.0039  1406.96    104.187  1390.32    145.954  1424.26    148.772  106.013 5.6949  107.288 5.7356  -1.275307      8.082676 
1 1 1 -10 -10 52 o 59.473  6.8368  445.871    96.865   618.013    182.189  378.034    114.370  68.149  11.422  53.935  9.0606  14.21435       14.57933 
1 1 1 -10 -10 53 o 64.100  6.7629  518.022    103.596  821.214    235.889  445.570    115.312  77.505  13.004  58.831  8.3093  18.67338       15.43209 
1 1 1 -10 -10 54 o 23.665  7.6241  69.419     49.770   69.419     49.770   0.0000     0.0000   23.665  7.6241  ?       ?       0.000000       7.624095 
1 1 1 -10 -10 55 f 56.318  4.2413  392.146    57.533   259.708    80.881   527.794    81.855   44.710  7.7356  65.091  5.2268  -20.38177      9.335857 
1 1 1 -10 -10 56 o 49.066  4.4903  299.244    52.866   208.470    73.740   395.239    75.832   39.829  7.9092  56.087  5.6490  -16.25805      9.719367 
1 1 1 -10 -10 57 o 44.279  4.6659  244.845    49.375   261.907    66.588   224.007    73.589   45.335  6.2172  41.382  7.6092  3.952087       9.826152 
1 1 1 -10 -10 58 o 41.900  5.2581  221.312    52.280   184.999    65.927   282.835    85.813   37.542  7.4999  46.483  7.8905  -8.941223      10.88617 
1 1 1 -10 -10 59 o 13.045  5.8668  -17.0824   38.876   -29.5606   45.879   14.689     73.208   13.511  6.1916  20.545  8.6423  -7.033460      10.63135 
1 1 1 -10 -10 60 o 9.6946  4.6049  -35.6972   29.372   -38.4966   31.008   -11.2423   91.647   9.9056  4.7128  21.082  9.2697  -11.17655      10.39896 
1 1 1 -10 -10 61 o 47.372  11.773  316.712    134.737  0.0000     0.0000   316.712    134.737  ?       ?       47.372  11.773  0.000000       11.77327 
1 1 1 -10 -10 62 o 24.086  6.6563  75.699     40.196   50.276     47.175   143.060    76.791   20.950  7.4189  32.523  9.2765  -11.57341      11.87830 
1 1 1 -10 -9  1  o 547.078 21.776  36812.92   2890.64  0.0000     0.0000   36812.92   2890.64  ?       ?       547.078 21.776  0.000000       21.77610 
1 1 1 -10 -9  2  o 343.510 14.121  14394.72   1176.94  0.0000     0.0000   14394.72   1176.94  ?       ?       343.510 14.121  0.000000       14.12054 
1 1 1 -10 -9  3  o 350.951 14.378  15024.67   1224.32  0.0000     0.0000   15024.67   1224.32  ?       ?       350.951 14.378  0.000000       14.37751 
1 1 1 -10 -9  4  o 310.449 6.4080  11705.04   482.696  13738.22   689.912  9755.46    675.583  336.201 8.4573  283.215 9.8310  52.98517       12.96821 
1 1 1 -10 -9  5  o 53.985  3.0785  354.813    40.159   508.626    59.932   229.476    54.101   64.623  3.8394  43.155  5.2765  21.46788       6.525555 
1 1 1 -10 -9  6  o 323.094 6.7289  12678.76   527.520  12859.15   752.319  12504.29   739.889  325.201 9.5342  320.684 9.5088  4.516510       13.46546 
1 1 1 -10 -9  7  o 401.218 8.1143  19561.08   789.944  20422.40   1123.61  18719.29   1110.80  409.647 11.304  392.154 11.674  17.49344       16.25007 
1 1 1 -10 -9  8  o 141.689 3.7660  2436.44    129.474  2696.19    184.413  2183.95    181.822  149.029 5.0998  134.119 5.5872  14.91025       7.564716 
1 1 1 -10 -9  9  o 590.205 11.612  42398.56   1662.98  41479.10   2354.12  43314.41   2349.49  582.773 16.648  595.619 16.257  -12.84528      23.26912 
1 1 1 -10 -9  10 o 590.830 16.584  42631.65   2377.43  41953.57   3379.11  43296.32   3345.52  584.060 23.844  593.537 23.230  -9.477295      33.28935 
1 1 1 -10 -9  11 o 143.607 5.6255  2503.90    196.020  2354.88    292.495  2625.39    264.103  138.921 8.7216  146.820 7.4378  -7.898621      11.46244 
1 1 1 -10 -9  12 o 407.750 11.619  20237.19   1149.55  21006.98   1642.65  19498.35   1609.29  414.770 16.322  399.555 16.599  15.21521       23.27983 
1 1 1 -10 -9  13 o 329.480 9.6957  13200.78   775.125  13524.81   1113.08  12895.70   1080.05  333.106 13.771  325.276 13.684  7.829987       19.41436 
1 1 1 -10 -9  14 o 47.408  3.3860  274.144    38.693   269.862    55.301   278.250    54.159   46.890  4.9346  47.641  4.7484  -0.7509575     6.848196 
1 1 1 -10 -9  15 o 282.973 5.8860  9723.27    404.141  9397.23    572.869  10046.30   570.225  278.055 8.4910  287.516 8.1737  -9.461884      11.78590 
1 1 1 -10 -9  16 o 339.802 7.0706  14026.89   582.971  14892.68   825.745  13166.52   823.153  349.924 9.7254  328.970 10.312  20.95496       14.17496 
1 1 1 -10 -9  17 o 354.794 7.3433  15294.53   632.167  15022.54   895.249  15565.03   892.796  351.352 10.501  357.661 10.288  -6.309662      14.70069 
1 1 1 -10 -9  18 o 579.131 11.331  40842.73   1592.22  40792.59   2253.02  40892.77   2250.44  577.684 16.074  578.403 16.035  -0.7191772     22.70431 
1 1 1 -10 -9  19 o 401.551 8.1762  19603.05   796.630  19519.04   1127.89  19686.68   1125.33  400.264 11.613  401.990 11.537  -1.726196      16.36994 
1 1 1 -10 -9  20 o 508.854 10.120  31523.39   1249.44  32093.99   1768.36  30954.57   1765.60  512.572 14.218  503.333 14.457  9.239258       20.27718 
1 1 1 -10 -9  21 o 123.699 3.7512  1857.38    112.591  1909.23    160.463  1807.09    158.022  125.381 5.2745  121.980 5.3391  3.401360       7.505051 
1 1 1 -10 -9  22 o 135.076 3.8084  2214.95    124.820  2149.23    177.320  2279.51    175.734  133.011 5.4942  136.989 5.2869  -3.978821      7.624846 
1 1 1 -10 -9  23 f 125.573 3.8713  1914.51    117.954  1928.03    167.860  1901.31    165.785  125.967 5.4919  125.092 5.4620  0.8747787      7.745605 
1 1 1 -10 -9  24 o 304.161 6.4714  11251.55   477.604  11290.85   676.808  11212.58   674.070  304.315 9.1660  303.259 9.1607  1.055725       12.95889 
1 1 1 -10 -9  25 o 327.737 6.9092  13073.35   549.440  13159.76   778.577  12987.63   775.483  328.290 9.7742  326.130 9.7998  2.159698       13.84090 
1 1 1 -10 -9  26 o 137.431 5.4021  2296.50    180.141  2138.76    242.028  2492.43    269.735  132.272 7.5726  142.790 7.8150  -10.51825      10.88197 
1 1 1 -10 -9  27 o 157.599 5.9256  3022.08    226.595  3410.15    307.550  2561.29    335.130  167.258 7.5782  144.433 9.6178  22.82552       12.24461 
1 1 1 -10 -9  28 o 176.707 6.0652  3800.32    260.053  3354.23    352.918  4330.29    384.671  165.490 8.8208  188.350 8.4170  -22.86038      12.19232 
1 1 1 -10 -9  29 o 213.440 4.9767  5538.67    257.739  5562.81    366.311  5515.01    362.712  213.675 7.0653  212.760 7.0260  0.9149475      9.964109 
1 1 1 -10 -9  30 o 78.513  3.6009  748.667    68.599   812.799    97.306   685.301    96.723   81.618  4.9367  74.876  5.3592  6.742073       7.286433 
1 1 1 -10 -9  31 o 89.057  3.5685  963.258    77.112   937.939    110.496  987.296    107.666  87.671  5.2179  89.981  4.9503  -2.310371      7.192482 
1 1 1 -10 -9  32 o 80.075  3.7066  778.823    72.017   687.896    100.277  875.676    103.493  74.997  5.5500  84.715  5.0579  -9.718018      7.508976 
1 1 1 -10 -9  33 o 189.437 4.6466  4361.99    213.583  4320.43    302.834  4403.12    301.276  188.349 6.6264  190.153 6.5298  -1.804367      9.303053 
1 1 1 -10 -9  34 o 159.922 6.2734  3113.85    243.433  3158.95    368.417  3078.90    324.316  160.433 9.5065  158.571 8.4597  1.862198       12.72558 
1 1 1 -10 -9  35 o 112.995 5.8052  1558.02    158.626  1614.78    244.384  1516.69    208.522  114.608 8.8568  111.224 7.7755  3.384132       11.78562 
1 1 1 -10 -9  36 o 239.551 7.9532  7006.65    462.279  6836.59    685.776  7148.28    625.849  235.362 12.049  241.341 10.687  -5.978958      16.10570 
1 1 1 -10 -9  37 f 291.774 6.3386  10374.29   448.750  10109.58   638.165  10633.21   631.150  287.337 9.1533  294.780 8.8241  -7.443237      12.71406 
1 1 1 -10 -9  38 o 59.319  4.6589  430.669    66.517   428.491    95.539   432.718    92.665   58.874  6.8140  59.207  6.5606  -0.3333626     9.458937 
1 1 1 -10 -9  39 o 145.143 4.3376  2562.70    152.758  2441.96    217.061  2681.19    215.020  141.468 6.3235  148.281 5.9763  -6.812851      8.700725 
1 1 1 -10 -9  40 f 107.216 3.8405  1398.10    99.911   1344.48    139.586  1454.44    143.068  104.859 5.5055  109.221 5.3985  -4.362251      7.710649 
1 1 1 -10 -9  41 o 139.628 4.1125  2373.31    139.329  2374.28    198.966  2372.37    195.172  139.409 5.8820  139.371 5.7714  0.3811646E-01  8.240575 
1 1 1 -10 -9  42 o 25.862  5.9959  85.083     36.892   107.673    49.152   55.939     55.829   29.048  7.0459  22.807  8.0713  6.241539       10.71404 
1 1 1 -10 -9  43 o 143.640 4.1202  2514.83    143.600  2485.40    206.199  2542.55    200.100  142.434 5.9663  144.119 5.7222  -1.684387      8.266838 
1 1 1 -10 -9  44 o 92.002  3.7512  1031.44    83.741   905.418    118.626  1156.63    118.230  85.761  5.7337  97.127  5.0340  -11.36602      7.629975 
1 1 1 -10 -9  45 o 102.558 3.8221  1282.62    95.111   1262.17    135.730  1302.34    133.317  101.305 5.5428  102.955 5.3552  -1.650002      7.707196 
1 1 1 -10 -9  46 o 78.382  4.9142  755.169    92.989   760.497    117.602  746.283    151.895  78.350  6.2376  77.018  8.2568  1.332329       10.34808 
1 1 1 -10 -9  47 o 171.366 6.2345  3620.02    259.235  3614.68    346.379  3626.82    390.866  170.151 8.3898  169.498 9.5426  0.6528625      12.70635 
1 1 1 -10 -9  48 o 119.643 4.0050  1748.71    116.265  1725.76    166.529  1770.54    162.397  118.409 5.7962  119.999 5.5775  -1.590141      8.043855 
1 1 1 -10 -9  49 f 61.669  4.3233  467.542    64.282   453.324    89.664   482.578    92.207   60.296  6.2179  62.237  6.1879  -1.941662      8.772273 
1 1 1 -10 -9  50 o 30.316  6.4659  117.920    46.111   114.223    56.854   125.025    78.824   29.708  7.7910  31.264  9.5287  -1.556217      12.30837 
1 1 1 -10 -9  51 o 96.063  5.4323  1140.50    126.100  1058.76    294.933  1158.79    139.493  87.997  14.304  96.646  5.9778  -8.648979      15.50325 
1 1 1 -10 -9  52 o 96.173  6.2236  1151.96    144.453  1270.25    288.256  1112.30    166.925  97.411  12.483  94.005  7.3775  3.405800       14.50001 
1 1 1 -10 -9  53 o 63.345  5.8745  501.579    89.264   501.579    89.264   0.0000     0.0000   63.345  5.8745  ?       ?       0.000000       5.874530 
1 1 1 -10 -9  54 o 43.000  6.7275  236.439    67.890   236.439    67.890   0.0000     0.0000   43.000  6.7275  ?       ?       0.000000       6.727458 
1 1 1 -10 -9  55 o 42.597  4.9337  227.072    50.050   233.213    69.406   220.419    72.243   42.567  6.9605  41.174  7.5077  1.392323       10.23790 
1 1 1 -10 -9  56 o 24.837  6.4044  80.246     38.845   81.913     50.571   77.847     60.669   25.217  7.6205  25.134  8.4340  0.8256912E-01  11.36675 
1 1 1 -10 -9  57 o 58.415  4.2143  422.413    59.332   513.784    82.740   325.691    85.128   64.074  5.3715  50.267  7.1839  13.80708       8.969984 
1 1 1 -10 -9  58 o 14.360  5.9988  6.2752     34.895   0.1559     39.512   27.966     74.390   14.595  6.2519  21.647  8.8729  -7.052039      10.85426 
1 1 1 -10 -9  59 o 30.291  6.5344  119.512    46.616   72.479     57.511   209.602    79.596   24.328  8.2113  39.670  8.5232  -15.34264      11.83511 
1 1 1 -10 -9  60 o 60.059  10.427  488.657    146.434  0.0000     0.0000   488.657    146.434  ?       ?       60.059  10.427  0.000000       10.42662 
1 1 1 -10 -9  61 f 48.746  11.469  333.241    133.389  0.0000     0.0000   333.241    133.389  ?       ?       48.746  11.469  0.000000       11.46910 
1 1 1 -10 -9  62 o 9.0958  4.4093  -49.4550   30.198   -68.0192   33.127   41.807     73.449   8.8950  4.3761  22.532  8.9646  -13.63690      9.975658 
1 1 1 -10 -8  1  o 385.164 15.634  18116.10   1461.11  0.0000     0.0000   18116.10   1461.11  ?       ?       385.164 15.634  0.000000       15.63414 
1 1 1 -10 -8  2  o 468.383 18.724  26856.03   2127.99  0.0000     0.0000   26856.03   2127.99  ?       ?       468.383 18.724  0.000000       18.72421 
1 1 1 -10 -8  3  o 553.490 15.412  37387.18   2069.87  39622.66   2930.72  35162.30   2923.76  568.288 21.254  534.979 22.524  33.30817       30.96865 
1 1 1 -10 -8  4  o 448.957 9.0250  24502.16   983.136  24174.21   1397.07  24823.88   1383.75  445.478 12.925  451.466 12.632  -5.987366      18.07260 
1 1 1 -10 -8  5  o 356.948 8.3982  15483.74   727.372  16653.89   1279.74  14925.34   884.052  369.602 14.270  350.294 10.401  19.30774       17.65831 
1 1 1 -10 -8  6  o 301.964 6.2974  11072.63   461.406  11109.92   654.756  11035.84   650.319  302.329 8.9256  301.321 8.8947  1.007751       12.60088 
1 1 1 -10 -8  7  o 81.490  3.1676  805.827    62.633   794.341    89.447   816.876    87.730   80.766  4.5832  81.918  4.4302  -1.151085      6.374354 
1 1 1 -10 -8  8  o 596.946 11.656  43368.93   1688.25  43768.75   2389.48  42970.41   2385.62  598.753 16.447  593.239 16.573  5.514282       23.34914 
1 1 1 -10 -8  9  o 337.898 7.0893  13867.99   581.234  14076.90   823.620  13660.74   820.367  340.238 9.9765  335.163 10.088  5.075714       14.18771 
1 1 1 -10 -8  10 o 593.980 16.670  43081.01   2402.56  42347.10   3414.59  43800.61   3381.13  586.880 23.979  597.076 23.338  -10.19543      33.46119 
1 1 1 -10 -8  11 o 87.450  4.8594  931.188    102.705  1134.86    161.478  792.823    133.096  96.413  6.9492  80.501  6.8800  15.91203       9.778869 
1 1 1 -10 -8  12 o 315.605 9.4158  12109.62   721.046  12032.18   1036.39  12182.28   1003.82  314.238 13.592  316.242 13.082  -2.004730      18.86513 
1 1 1 -10 -8  13 o 347.862 10.258  14717.74   865.870  14358.24   1241.58  15058.15   1208.16  343.108 14.913  351.461 14.167  -8.353912      20.56987 
1 1 1 -10 -8  14 o 451.729 9.0860  24806.42   995.899  24538.15   1409.44  25073.91   1407.39  448.817 12.942  453.712 12.784  -4.895599      18.19170 
1 1 1 -10 -8  15 o 537.529 10.638  35153.19   1387.54  36278.78   1963.31  34029.96   1961.24  545.341 14.837  528.076 15.306  17.26514       21.31739 
1 1 1 -10 -8  16 o 469.728 9.4380  26830.10   1075.69  26482.17   1522.28  27177.11   1520.24  466.120 13.460  472.227 13.268  -6.107330      18.89959 
1 1 1 -10 -8  17 o 417.004 8.4054  21136.72   850.479  21644.13   1203.73  20630.96   1201.79  421.596 11.767  411.575 12.034  10.02087       16.83106 
1 1 1 -10 -8  18 o 320.293 6.6859  12461.78   519.603  12291.63   735.749  12631.08   733.913  317.891 9.5387  322.263 9.3858  -4.372711      13.38203 
1 1 1 -10 -8  19 o 603.627 11.861  44394.07   1737.18  44712.77   2457.89  44075.96   2455.61  604.509 16.757  600.156 16.863  4.352417       23.77293 
1 1 1 -10 -8  20 f 499.332 9.9273  30348.22   1202.78  30856.61   1702.22  29841.31   1699.75  502.697 13.956  494.308 14.172  8.389099       19.88957 
1 1 1 -10 -8  21 o 724.430 14.211  64148.15   2497.90  62848.21   3533.67  65446.45   3531.45  714.234 20.390  729.079 19.962  -14.84521      28.53525 
1 1 1 -10 -8  22 o 349.826 7.2503  14880.49   615.420  14871.62   871.392  14889.33   869.282  349.324 10.281  349.536 10.250  -0.2127380     14.51707 
1 1 1 -10 -8  23 o 216.189 4.9686  5677.23    260.633  5628.67    369.533  5725.29    367.657  215.126 7.0794  216.971 6.9835  -1.845764      9.944245 
1 1 1 -10 -8  24 o 272.776 5.9259  9045.62    392.216  9450.33    556.159  8645.19    553.207  278.547 8.2288  266.375 8.5592  12.17279       11.87317 
1 1 1 -10 -8  25 o 242.259 5.4628  7134.53    321.115  7361.17    455.562  6910.72    452.702  245.842 7.6371  238.177 7.8334  7.664871       10.94016 
1 1 1 -10 -8  26 o 307.430 9.2129  11540.25   687.235  11539.15   954.830  11541.44   989.913  306.492 12.839  306.379 13.316  0.1126404      18.49768 
1 1 1 -10 -8  27 o 34.639  6.5364  150.866    52.923   153.855    65.992   145.480    88.592   34.831  7.9797  34.196  10.027  0.6348419      12.81457 
1 1 1 -10 -8  28 o 350.049 10.409  15003.96   884.141  15652.16   1233.03  14317.99   1268.45  356.093 14.271  340.112 15.370  15.98099       20.97392 
1 1 1 -10 -8  29 o 99.531  3.5807  1203.16    86.476   1164.90    123.298  1240.19    121.316  97.738  5.2180  101.002 4.9503  -3.263374      7.192517 
1 1 1 -10 -8  30 o 191.984 4.6217  4479.60    215.295  4524.58    306.551  4435.80    302.438  192.771 6.5538  190.873 6.5302  1.898178       9.251840 
1 1 1 -10 -8  31 o 246.033 5.4180  7361.90    323.441  7457.66    459.806  7268.10    455.061  247.324 7.6620  244.158 7.6813  3.166565       10.84937 
1 1 1 -10 -8  32 o 83.402  3.7672  844.903    76.235   826.592    104.765  865.512    111.143  82.277  5.2755  84.180  5.4711  -1.902573      7.600245 
1 1 1 -10 -8  33 o 43.769  4.7686  235.626    49.824   251.149    65.113   213.697    77.390   45.016  6.1198  41.154  8.0384  3.861549       10.10289 
1 1 1 -10 -8  34 o 46.919  7.9490  275.924    87.264   235.448    130.405  308.746    117.431  43.145  12.013  49.332  10.149  -6.186985      15.72655 
1 1 1 -10 -8  35 o 183.406 6.8424  4099.15    304.501  3823.66    459.381  4315.05    406.678  176.235 10.795  187.882 8.9207  -11.64742      14.00385 
1 1 1 -10 -8  36 o 136.899 6.1785  2282.60    205.234  2030.86    315.973  2466.31    269.925  128.300 10.235  141.916 7.8696  -13.61568      12.91070 
1 1 1 -10 -8  37 o 115.717 3.9959  1627.45    112.195  1532.73    157.920  1723.97    159.425  112.036 5.8294  119.002 5.5213  -6.966263      8.029058 
1 1 1 -10 -8  38 o 125.493 4.0182  1914.55    122.354  1824.31    173.173  2004.51    172.897  122.361 5.8327  128.288 5.5544  -5.926605      8.054340 
1 1 1 -10 -8  39 o 150.192 4.2660  2744.10    155.464  2729.31    221.780  2758.38    217.988  149.574 6.1109  150.387 5.9739  -0.8129425     8.545758 
1 1 1 -10 -8  40 f 243.127 5.5538  7210.41    327.634  7231.06    467.293  7190.44    459.495  242.792 7.9322  242.146 7.8206  0.6458435      11.13915 
1 1 1 -10 -8  41 o 22.598  6.4421  64.013     37.044   63.838     51.479   64.201     53.348   23.393  7.7673  23.575  7.9087  -0.1812973     11.08510 
1 1 1 -10 -8  42 o 67.274  4.0585  553.268    65.939   573.534    101.600  538.521    86.672   68.161  6.2114  66.165  5.4470  1.995392       8.261454 
1 1 1 -10 -8  43 o 165.889 4.4519  3357.42    179.194  3306.70    256.130  3406.05    250.792  164.134 6.4313  166.649 6.2022  -2.515137      8.934729 
1 1 1 -10 -8  44 o 68.277  3.7649  569.856    62.132   581.852    87.956   557.907    87.779   68.741  5.3146  67.283  5.4228  1.457840       7.592871 
1 1 1 -10 -8  45 o 146.677 4.2587  2627.11    151.566  2690.92    217.206  2566.56    211.598  147.960 6.0501  144.506 6.0348  3.454681       8.545313 
1 1 1 -10 -8  46 o 60.015  5.0023  444.209    72.179   394.291    89.341   538.029    122.481  56.143  6.6900  65.367  7.8812  -9.223988      10.33777 
1 1 1 -10 -8  47 o 53.179  5.1867  350.114    66.074   370.000    81.118   310.905    113.900  54.443  6.2541  48.821  9.9527  5.622559       11.75454 
1 1 1 -10 -8  48 o 163.993 4.6376  3293.30    184.536  3326.74    266.217  3262.37    256.028  164.003 6.6899  162.499 6.4934  1.504593       9.323051 
1 1 1 -10 -8  49 o 43.391  5.4815  235.085    56.424   167.112    78.638   307.215    81.007   35.767  9.0530  49.322  6.9625  -13.55435      11.42076 
1 1 1 -10 -8  50 o 84.606  4.2909  878.536    87.798   787.672    124.795  967.586    123.544  79.490  6.5279  88.394  5.7922  -8.903137      8.727124 
1 1 1 -10 -8  51 o 42.084  8.5213  230.568    84.029   599.616    225.293  170.933    90.565   65.613  14.534  36.001  10.007  29.61192       17.64585 
1 1 1 -10 -8  52 o 114.526 12.803  1762.09    349.701  1762.09    349.701  0.0000     0.0000   114.526 12.803  ?       ?       0.000000       12.80332 
1 1 1 -10 -8  53 o 76.901  5.8656  737.665    108.622  737.665    108.622  0.0000     0.0000   76.901  5.8656  ?       ?       0.000000       5.865615 
1 1 1 -10 -8  54 o 17.374  6.4871  29.299     36.745   41.615     47.699   11.321     57.631   20.110  7.4141  18.425  7.7041  1.685795       10.69212 
1 1 1 -10 -8  55 o 24.814  6.4628  79.962     39.298   134.691    54.248   19.529     57.005   32.095  7.1492  18.991  7.7738  13.10390       10.56140 
1 1 1 -10 -8  56 o 62.559  4.1585  483.695    62.764   409.207    87.673   562.004    89.893   56.760  6.4821  66.981  5.5819  -10.22078      8.554235 
1 1 1 -10 -8  57 o 71.194  4.3987  627.431    75.613   631.344    101.786  622.613    112.949  70.827  5.9787  69.999  6.7332  0.8280334      9.004455 
1 1 1 -10 -8  58 o 40.895  5.2687  210.913    51.065   200.902    63.136   229.852    86.834   39.398  6.8533  41.442  8.9010  -2.043755      11.23368 
1 1 1 -10 -8  59 o 52.073  5.1114  339.295    63.750   305.473    86.857   378.793    93.863   48.489  7.6349  54.231  7.3202  -5.742626      10.57720 
1 1 1 -10 -8  60 o 27.717  11.097  66.565     113.249  0.0000     0.0000   66.565     113.249  ?       ?       27.717  11.097  0.000000       11.09690 
1 1 1 -10 -8  61 o 38.620  6.3020  191.851    57.018   123.682    74.920   285.679    87.896   30.491  9.2890  46.594  8.0667  -16.10223      12.30273 
1 1 1 -10 -8  62 o 11.286  5.3550  -46.1003   39.517   -62.5306   47.035   -6.6679    72.865   11.910  5.7039  18.994  8.3106  -7.084723      10.07973 
1 1 1 -10 -7  1  o 265.198 11.340  8560.08    729.677  0.0000     0.0000   8560.08    729.677  ?       ?       265.198 11.340  0.000000       11.33959 
1 1 1 -10 -7  2  o 290.989 12.274  10310.51   866.644  0.0000     0.0000   10310.51   866.644  ?       ?       290.989 12.274  0.000000       12.27439 
1 1 1 -10 -7  3  o 268.834 8.1511  8781.87    531.699  10020.79   753.885  7555.69    750.001  286.998 10.826  249.101 12.409  37.89702       16.46728 
1 1 1 -10 -7  4  f 197.879 4.5359  4752.74    217.784  4630.96    310.303  4870.96    305.735  195.277 6.5489  200.281 6.2913  -5.003754      9.081252 
1 1 1 -10 -7  5  o 665.784 13.032  53988.28   2105.24  53260.79   2979.87  54713.24   2974.66  659.946 18.609  668.964 18.326  -9.018127      26.11787 
1 1 1 -10 -7  6  o 541.148 10.683  35620.41   1402.70  35649.99   1985.90  35590.96   1981.54  540.664 15.138  540.220 15.117  0.4439697      21.39351 
1 1 1 -10 -7  7  o 905.815 20.340  100480.80  4470.45  100614.80  7732.47  100413.50  5478.91  897.896 35.492  903.364 24.996  -5.468445      43.41036 
1 1 1 -10 -7  8  o 714.914 14.113  62287.54   2448.11  60789.55   3463.64  63782.93   3460.65  704.585 20.260  721.887 19.757  -17.30225      28.29851 
1 1 1 -10 -7  9  o 710.544 13.894  61519.79   2395.50  61906.40   3389.04  61133.78   3386.47  711.226 19.638  706.740 19.748  4.486511       27.85047 
1 1 1 -10 -7  10 o 900.812 25.152  99864.47   5497.51  97045.13   7792.38  102658.30  7757.05  881.155 36.446  907.146 35.242  -25.99091      50.69815 
1 1 1 -10 -7  11 o 532.440 15.033  34571.28   1942.15  33943.09   2763.81  35184.07   2729.73  526.130 21.650  535.830 20.996  -9.700623      30.15829 
1 1 1 -10 -7  12 o 662.111 18.250  53594.66   2931.99  55666.09   4163.97  51557.72   4129.16  672.338 25.524  646.752 26.312  25.58630       36.65837 
1 1 1 -10 -7  13 o 200.396 6.7417  4877.25    327.809  4848.31    479.788  4902.59    448.933  199.678 9.9027  200.824 9.2130  -1.145523      13.52567 
1 1 1 -10 -7  14 o 259.801 5.5810  8194.80    351.820  8524.36    498.315  7867.25    496.786  264.883 7.7533  254.455 8.0463  10.42805       11.17390 
1 1 1 -10 -7  15 o 291.631 6.1818  10327.76   437.435  10555.64   619.406  10101.02   617.851  294.698 8.6623  288.272 8.8332  6.426636       12.37176 
1 1 1 -10 -7  16 o 267.438 5.7436  8684.45    372.712  8594.08    527.880  8774.28    526.313  265.930 8.1810  268.709 8.0723  -2.779510      11.49306 
1 1 1 -10 -7  17 o 130.042 3.7350  2052.41    117.851  2045.71    167.182  2059.01    166.156  129.806 5.3080  130.228 5.2583  -0.4222260     7.471608 
1 1 1 -10 -7  18 o 59.346  3.6901  429.096    52.873   472.144    74.306   384.948    75.251   62.164  4.9678  56.025  5.6110  6.138889       7.494210 
1 1 1 -10 -7  19 o 232.251 5.2589  6549.46    296.355  6439.85    419.850  6658.30    418.373  230.200 7.5167  234.079 7.3661  -3.879623      10.52423 
1 1 1 -10 -7  20 o 221.403 5.1217  5952.14    275.144  6062.70    390.030  5842.61    388.201  223.357 7.1967  219.260 7.2968  4.096848       10.24872 
1 1 1 -10 -7  21 o 171.041 4.2885  3551.64    177.979  3674.92    252.651  3430.20    250.761  173.928 5.9867  168.031 6.1504  5.896973       8.583012 
1 1 1 -10 -7  22 o 258.183 5.6969  8098.27    356.889  8590.84    506.166  7611.30    503.280  265.754 7.8496  250.107 8.2932  15.64726       11.41898 
1 1 1 -10 -7  23 o 230.378 5.4447  6448.50    304.355  6976.56    431.724  5926.76    429.132  239.472 7.4300  220.671 8.0146  18.80112       10.92877 
1 1 1 -10 -7  24 o 207.053 4.9604  5208.61    249.207  5398.04    354.103  5022.71    350.785  210.640 6.9283  203.169 7.1157  7.470490       9.931488 
1 1 1 -10 -7  25 o 113.778 3.7055  1572.02    102.298  1674.09    145.809  1473.07    143.560  117.365 5.1202  110.083 5.3746  7.281693       7.423123 
1 1 1 -10 -7  26 o 418.597 12.246  21501.33   1243.83  22648.05   1741.15  20306.24   1777.49  427.495 16.786  404.083 18.129  23.41129       24.70669 
1 1 1 -10 -7  27 o 214.849 7.0752  5623.34    368.840  5740.38    505.069  5489.60    539.911  216.697 9.6058  211.753 10.508  4.943985       14.23706 
1 1 1 -10 -7  28 o 149.217 5.7646  2708.90    208.713  2851.54    280.188  2531.09    312.832  152.940 7.5503  143.666 9.0199  9.274292       11.76290 
1 1 1 -10 -7  29 o 266.266 5.9129  8626.52    382.018  8520.16    542.812  8730.89    537.735  264.215 8.4670  267.497 8.2849  -3.281525      11.84603 
1 1 1 -10 -7  30 o 65.843  3.7116  528.237    59.055   573.979    83.740   482.979    83.295   68.523  5.0726  62.775  5.5248  5.748276       7.500297 
1 1 1 -10 -7  31 o 240.123 5.4267  7012.42    316.180  6959.23    449.081  7064.70    445.236  238.907 7.7469  240.730 7.6225  -1.822571      10.86817 
1 1 1 -10 -7  32 o 114.505 4.0092  1592.86    111.390  1570.47    155.722  1616.31    159.400  113.622 5.6484  115.265 5.6994  -1.643562      8.024177 
1 1 1 -10 -7  33 o 121.112 3.9180  1781.93    115.138  1740.27    161.418  1825.08    164.278  119.607 5.5620  122.489 5.5274  -2.881836      7.841422 
1 1 1 -10 -7  34 o 193.578 7.0215  4566.49    329.801  4402.65    495.103  4697.19    442.188  189.194 10.830  196.000 9.2980  -6.805679      14.27384 
1 1 1 -10 -7  35 o 109.335 5.8433  1459.16    154.456  1332.04    247.503  1540.24    197.671  103.829 9.9459  112.154 7.3037  -8.324860      12.33959 
1 1 1 -10 -7  36 o 232.343 6.1159  6574.73    344.791  6614.48    428.281  6501.52    581.243  232.802 7.5819  230.203 10.406  2.599640       12.87515 
1 1 1 -10 -7  37 o 131.634 4.0217  2106.11    128.451  2268.90    183.871  1950.93    179.522  136.512 5.5511  126.561 5.8459  9.950966       8.061595 
1 1 1 -10 -7  38 o 129.899 4.0497  2051.53    127.641  2141.81    182.396  1964.90    178.684  132.589 5.6695  126.983 5.7993  5.606094       8.110185 
1 1 1 -10 -7  39 o 125.620 3.9863  1919.21    121.504  2006.72    174.245  1836.39    169.517  128.299 5.5972  122.723 5.6928  5.576065       7.983510 
1 1 1 -10 -7  40 o 92.755  3.7445  1046.47    84.275   1054.25    119.951  1038.88    118.430  92.823  5.3484  92.146  5.3195  0.6767883      7.543357 
1 1 1 -10 -7  41 o 133.634 4.4646  2175.94    144.765  2116.66    234.414  2212.49    184.057  131.106 7.3990  134.579 5.6365  -3.472748      9.301387 
1 1 1 -10 -7  42 o 94.472  3.7943  1086.76    86.976   1060.25    123.806  1112.58    122.216  92.966  5.5131  95.278  5.3076  -2.311867      7.652804 
1 1 1 -10 -7  43 f 116.131 3.9074  1643.50    110.103  1581.59    157.193  1703.12    154.268  113.492 5.7267  117.981 5.3889  -4.489296      7.863540 
1 1 1 -10 -7  44 o 68.682  3.8345  576.847    63.646   592.438    89.731   561.060    90.291   69.346  5.3748  67.436  5.5679  1.910515       7.738840 
1 1 1 -10 -7  45 o 29.374  6.8065  110.616    47.562   97.928     56.497   141.488    88.128   27.756  7.9698  33.335  10.057  -5.579441      12.83169 
1 1 1 -10 -7  46 o 41.065  5.7492  211.127    55.714   226.852    67.175   176.467    99.728   42.361  6.7629  36.850  10.591  5.510735       12.56592 
1 1 1 -10 -7  47 o 75.213  5.0011  696.463    90.748   644.968    113.744  786.643    150.521  71.976  6.5859  79.116  7.9485  -7.139908      10.32243 
1 1 1 -10 -7  48 o 28.595  7.2557  105.349    50.425   132.418    69.486   75.237     73.288   31.980  8.7164  26.028  9.2438  5.951153       12.70521 
1 1 1 -10 -7  49 o 61.277  4.6604  462.745    68.772   438.468    95.958   488.386    98.614   59.114  6.8148  62.487  6.6042  -3.372818      9.489849 
1 1 1 -10 -7  50 o 56.798  4.8099  398.689    65.665   341.099    93.777   454.092    91.979   51.740  7.7047  60.243  6.3899  -8.503113      10.00968 
1 1 1 -10 -7  51 o 114.306 13.030  1750.19    354.931  1750.19    354.931  0.0000     0.0000   114.306 13.030  ?       ?       0.000000       13.02997 
1 1 1 -10 -7  52 o 57.940  16.733  493.772    248.406  493.772    248.406  0.0000     0.0000   57.940  16.733  ?       ?       0.000000       16.73322 
1 1 1 -10 -7  53 o 76.796  4.2374  726.309    78.654   845.789    116.669  626.765    106.492  82.345  5.8778  70.686  6.2742  11.65878       8.597309 
1 1 1 -10 -7  54 o 26.611  6.5139  92.005     41.720   46.858     56.498   146.146    61.870   21.547  8.0442  33.342  7.7883  -11.79459      11.19679 
1 1 1 -10 -7  55 f 16.798  6.4531  24.680     36.970   -1.8922    47.417   65.874     59.039   15.791  6.8078  23.734  8.3085  -7.942902      10.74139 
1 1 1 -10 -7  56 o 52.568  4.3793  342.905    55.351   367.327    75.861   315.103    80.942   53.951  5.8908  49.556  6.9203  4.394779       9.088019 
1 1 1 -10 -7  57 o 35.734  6.3220  164.492    52.810   61.771     65.357   357.715    89.639   23.721  8.6887  52.722  7.1950  -29.00073      11.28100 
1 1 1 -10 -7  58 o 16.690  7.0218  7.3623     48.339   36.426     62.192   -36.9875   76.826   21.042  8.2878  17.908  8.1315  3.134279       11.61067 
1 1 1 -10 -7  59 o 30.027  11.531  96.194     118.021  0.0000     0.0000   96.194     118.021  ?       ?       30.027  11.531  0.000000       11.53118 
1 1 1 -10 -7  60 o 21.771  7.8528  52.705     53.093   89.132     61.549   -53.2045   104.949  26.409  8.4754  20.567  9.4025  5.841566       12.65852 
1 1 1 -10 -7  61 o 24.094  7.4453  74.553     47.926   87.792     60.867   52.956     77.745   26.172  8.4313  23.865  9.3054  2.306833       12.55697 
1 1 1 -10 -6  1  o 563.940 22.401  39047.30   3065.18  0.0000     0.0000   39047.30   3065.18  ?       ?       563.940 22.401  0.000000       22.40056 
1 1 1 -10 -6  2  o 197.954 6.3837  4758.57    306.621  4507.22    425.390  5030.38    442.363  192.560 9.1045  203.435 8.9617  -10.87480      12.77511 
1 1 1 -10 -6  3  o 352.067 10.271  15074.22   877.431  15759.93   1230.20  14364.19   1251.83  359.601 14.099  343.202 15.032  16.39929       20.60973 
1 1 1 -10 -6  4  o 91.402  3.2869  1013.80    72.897   1126.52    104.192  905.725    102.025  96.340  4.4572  86.241  4.8958  10.09862       6.620843 
1 1 1 -10 -6  5  o 130.845 3.6329  2077.67    115.338  1965.98    164.339  2186.09    161.914  127.258 5.3222  134.198 4.9725  -6.940315      7.283655 
1 1 1 -10 -6  6  o 591.974 13.452  42686.54   1932.24  43584.58   3335.55  42232.98   2370.48  595.845 23.071  588.200 16.609  7.644836       28.42785 
1 1 1 -10 -6  7  o 367.777 7.3985  16429.84   660.224  16561.57   935.404  16299.06   932.000  369.026 10.447  366.086 10.492  2.940186       14.80611 
1 1 1 -10 -6  8  o 404.006 8.4184  19833.24   825.245  20737.22   1168.60  18933.96   1165.55  412.812 11.667  394.401 12.179  18.41010       16.86572 
1 1 1 -10 -6  9  o 369.225 7.4062  16559.50   663.513  16542.30   939.696  16576.60   937.007  368.806 10.501  369.192 10.460  -0.3856506     14.82150 
1 1 1 -10 -6  10 o 605.683 17.074  44796.46   2509.19  43282.80   3567.84  46277.80   3529.54  593.241 24.786  613.779 23.700  -20.53796      34.29328 
1 1 1 -10 -6  11 o 131.606 5.3441  2102.63    170.654  2464.52    257.993  1821.11    227.546  142.240 7.5017  122.194 7.7142  20.04588       10.76031 
1 1 1 -10 -6  12 o 94.187  5.1555  1080.13    117.375  799.738    180.802  1284.38    154.314  80.563  9.4274  102.658 6.2245  -22.09506      11.29694 
1 1 1 -10 -6  13 o 364.434 10.673  16155.02   943.755  15910.42   1353.88  16386.21   1316.26  361.149 15.450  366.592 14.798  -5.442688      21.39334 
1 1 1 -10 -6  14 o 221.003 4.9742  5929.02    266.739  5939.08    378.261  5919.08    376.198  221.126 7.0500  220.755 7.0233  0.3715515      9.951346 
1 1 1 -10 -6  15 o 561.294 11.129  38335.73   1515.65  38063.06   2144.47  38607.90   2142.44  558.450 15.826  562.459 15.698  -4.009644      22.29127 
1 1 1 -10 -6  16 f 327.468 6.7893  13024.71   539.460  12695.40   764.051  13352.07   761.778  323.106 9.7457  331.378 9.4742  -8.272308      13.59185 
1 1 1 -10 -6  17 o 395.370 8.1168  18996.86   778.664  18993.99   1102.27  18999.72   1100.12  395.001 11.501  395.064 11.477  -0.6237793E-01 16.24741 
1 1 1 -10 -6  18 o 103.400 3.6509  1297.58    91.597   1244.04    130.604  1349.41    128.497  101.082 5.3440  105.428 5.0231  -4.345757      7.334176 
1 1 1 -10 -6  19 o 293.833 6.3100  10486.86   449.880  10714.67   637.459  10260.80   635.001  296.838 8.8505  290.471 9.0096  6.367218       12.62953 
1 1 1 -10 -6  20 o 361.184 7.4859  15855.63   656.051  16334.12   929.184  15380.00   926.415  366.277 10.455  355.383 10.743  10.89377       14.99104 
1 1 1 -10 -6  21 o 88.388  3.6113  948.271    77.451   1034.15    110.233  864.547    108.844  92.152  4.9481  84.202  5.3553  7.949631       7.291246 
1 1 1 -10 -6  22 o 55.934  3.8153  381.572    51.472   380.832    73.429   382.286    72.171   55.721  5.5030  55.840  5.3938  -0.1195068     7.705581 
1 1 1 -10 -6  23 o 203.971 4.9785  5053.74    246.395  5153.14    350.008  4956.08    346.923  205.840 7.0078  201.861 7.0830  3.979645       9.963858 
1 1 1 -10 -6  24 o 84.856  3.6671  874.282    75.504   950.877    107.192  798.857    106.370  88.322  5.0226  80.892  5.4512  7.430176       7.412252 
1 1 1 -10 -6  25 o 231.490 7.4697  6526.20    419.566  6709.62    576.526  6319.68    611.751  234.343 10.139  227.274 11.093  7.068634       15.02878 
1 1 1 -10 -6  26 o 240.792 7.7102  7066.55    450.477  7338.01    619.759  6762.49    655.918  244.909 10.429  234.896 11.508  10.01311       15.53094 
1 1 1 -10 -6  27 o 49.968  5.5166  307.350    65.770   299.486    82.687   320.895    108.518  49.072  7.1549  50.482  9.1983  -1.409641      11.65332 
1 1 1 -10 -6  28 o 155.771 4.1714  2948.11    157.665  3083.59    225.090  2817.61    220.911  159.199 5.8271  152.167 5.9832  7.032623       8.351877 
1 1 1 -10 -6  29 o 122.183 3.9331  1813.47    116.602  1825.04    166.438  1802.32    163.404  122.491 5.5999  121.730 5.5322  0.7609253      7.871780 
1 1 1 -10 -6  30 o 241.979 5.5375  7121.78    325.129  7300.58    462.471  6947.05    457.180  244.696 7.7892  238.682 7.8941  6.014191       11.09004 
1 1 1 -10 -6  31 o 173.654 4.4861  3664.60    189.023  3647.10    269.279  3681.60    265.402  173.088 6.4117  173.916 6.2893  -0.8279724     8.981346 
1 1 1 -10 -6  32 o 225.381 5.2720  6177.17    288.308  6219.52    410.197  6135.82    405.306  225.883 7.4842  224.363 7.4450  1.519455       10.55660 
1 1 1 -10 -6  33 o 184.735 6.7299  4156.71    301.665  4068.18    458.070  4224.50    400.867  181.968 10.418  185.964 8.8840  -3.995392      13.69154 
1 1 1 -10 -6  34 o 50.740  6.9402  319.481    83.205   361.009    142.973  298.213    102.317  53.241  11.410  48.640  9.0009  4.601288       14.53319 
1 1 1 -10 -6  35 f 51.759  6.7333  331.872    82.560   504.999    147.588  253.025    99.601   63.481  9.9051  44.641  9.4877  18.83994       13.71595 
1 1 1 -10 -6  36 o 141.329 4.1086  2427.59    140.895  2449.38    200.268  2406.24    198.258  141.835 5.8192  140.581 5.8122  1.253799       8.224663 
1 1 1 -10 -6  37 o 167.438 4.5751  3409.71    185.875  3345.18    265.745  3471.51    260.080  165.622 6.6127  168.754 6.3517  -3.132217      9.169085 
1 1 1 -10 -6  38 o 72.292  3.8472  637.107    67.241   643.774    94.939   630.396    95.247   72.497  5.4367  71.726  5.5151  0.7713013      7.744304 
1 1 1 -10 -6  39 o 169.596 4.3749  3500.40    180.033  3431.94    257.307  3566.04    251.986  167.646 6.3255  170.933 6.0755  -3.286789      8.770617 
1 1 1 -10 -6  40 o 105.732 3.8471  1360.15    98.696   1333.57    140.928  1385.73    138.265  104.383 5.5844  106.445 5.3706  -2.061821      7.747876 
1 1 1 -10 -6  41 o 115.107 4.2467  1614.07    118.609  1475.92    190.241  1701.92    151.704  109.423 7.2056  118.065 5.2956  -8.641624      8.942227 
1 1 1 -10 -6  42 o 21.296  6.7006  55.032     38.621   64.717     48.568   38.372     63.696   23.266  7.5352  21.821  8.4464  1.445423       11.31908 
1 1 1 -10 -6  43 o 183.427 4.7532  4109.96    211.550  4073.77    303.184  4144.30    295.324  181.944 6.8676  183.601 6.6292  -1.656967      9.545169 
1 1 1 -10 -6  44 o 111.470 4.0056  1515.76    108.341  1461.60    154.531  1568.12    151.937  108.969 5.8661  113.099 5.5366  -4.130089      8.066299 
1 1 1 -10 -6  45 o 50.934  5.2931  321.365    64.460   273.066    78.466   421.610    113.044  46.481  7.1895  57.660  8.3209  -11.17899      10.99662 
1 1 1 -10 -6  46 f 42.080  5.8901  221.871    58.492   218.173    71.109   229.607    102.857  41.378  7.3520  41.831  10.221  -0.4531479     12.59042 
1 1 1 -10 -6  47 o 31.798  6.6102  129.387    49.337   164.143    58.402   42.758     92.203   35.834  6.9677  25.001  10.012  10.83287       12.19768 
1 1 1 -10 -6  48 o 156.353 4.5959  2993.76    174.358  3000.60    250.795  2987.36    242.568  155.746 6.6365  155.494 6.4292  0.2519531      9.240008 
1 1 1 -10 -6  49 o 108.253 4.2206  1433.79    110.861  1392.54    158.132  1473.67    155.465  106.006 6.1746  109.161 5.8913  -3.155457      8.534239 
1 1 1 -10 -6  50 o 40.665  5.3395  206.907    51.411   211.730    77.726   203.155    68.548   40.402  8.2087  39.776  7.3740  0.6256142      11.03445 
1 1 1 -10 -6  51 o 80.458  14.982  904.693    281.712  904.693    281.712  0.0000     0.0000   80.458  14.982  ?       ?       0.000000       14.98153 
1 1 1 -10 -6  52 o 24.478  11.521  -154.7281  176.100  -154.7281  176.100  0.0000     0.0000   24.478  11.521  ?       ?       0.000000       11.52102 
1 1 1 -10 -6  53 o 29.597  6.9479  114.020    49.042   145.855    73.323   88.250     65.970   33.188  8.9155  26.665  8.7899  6.522978       12.51997 
1 1 1 -10 -6  54 o 47.119  5.0905  277.627    57.275   252.428    83.880   299.638    78.397   43.906  8.1744  48.414  6.8659  -4.508499      10.67532 
1 1 1 -10 -6  55 o 55.754  4.6040  386.086    61.726   394.884    89.888   378.236    84.911   55.650  6.7982  54.545  6.5465  1.105171       9.437821 
1 1 1 -10 -6  56 o 40.388  5.0852  205.175    48.729   220.904    66.227   186.607    71.956   41.379  6.8348  37.534  8.1357  3.845119       10.62559 
1 1 1 -10 -6  57 o 46.528  5.1838  271.729    57.528   269.059    72.964   276.117    93.527   45.771  6.7745  45.589  8.7734  0.1815643      11.08446 
1 1 1 -10 -6  58 o 84.771  6.4618  907.165    131.911  0.0000     0.0000   907.165    131.911  ?       ?       84.771  6.4618  0.000000       6.461757 
1 1 1 -10 -6  59 o 19.211  8.8503  -59.8960   95.461   0.0000     0.0000   -59.8960   95.461   ?       ?       19.211  8.8503  0.000000       8.850261 
1 1 1 -10 -6  60 o 33.391  8.1093  148.519    65.048   131.176    75.790   197.022    126.743  31.335  9.2976  37.735  12.168  -6.399242      15.31320 
1 1 1 -10 -6  61 o 76.702  4.4383  729.738    82.249   761.379    113.513  694.764    119.341  77.623  6.0753  73.792  6.7396  3.831055       9.073707 
1 1 1 -10 -5  1  o 299.381 8.9411  10893.92   649.501  11313.07   907.469  10453.68   930.011  304.838 12.269  292.962 13.083  11.87659       17.93573 
1 1 1 -10 -5  2  o 843.722 23.354  87431.15   4781.11  87595.19   6747.67  87265.75   6775.44  839.343 33.132  837.637 33.336  1.705444       47.00058 
1 1 1 -10 -5  3  o 153.898 5.7047  2875.52    213.025  3220.33    290.280  2473.10    313.593  162.825 7.3474  142.352 9.1271  20.47292       11.71700 
1 1 1 -10 -5  4  f 349.705 7.2963  14854.25   619.115  15541.76   877.195  14171.83   873.935  357.513 10.112  341.359 10.551  16.15414       14.61448 
1 1 1 -10 -5  5  o 323.303 6.7400  12693.71   528.733  12603.59   749.303  12783.09   746.188  321.989 9.5908  324.281 9.4834  -2.292023      13.48767 
1 1 1 -10 -5  6  o 99.629  3.4802  1204.53    84.129   1139.44    119.666  1268.15    118.299  96.749  5.1157  102.214 4.7699  -5.464821      6.994449 
1 1 1 -10 -5  7  o 803.947 15.863  78845.72   3094.43  77996.45   4377.82  79693.71   4374.55  797.346 22.628  806.078 22.366  -8.731567      31.81627 
1 1 1 -10 -5  8  o 801.639 15.743  78387.08   3062.10  75568.13   4332.04  81201.94   4328.89  784.789 22.750  813.844 21.922  -29.05457      31.59281 
1 1 1 -10 -5  9  o 91.051  3.4956  1006.04    77.228   901.560    109.825  1108.24    108.618  86.016  5.2877  95.553  4.6848  -9.537109      7.064532 
1 1 1 -10 -5  10 f 342.352 10.078  14251.20   837.185  14338.88   1204.58  14169.26   1164.36  342.997 14.474  341.006 14.072  1.991913       20.18702 
1 1 1 -10 -5  11 o 348.590 10.288  14776.79   870.189  14562.55   1251.38  14977.38   1210.88  345.607 14.923  350.573 14.235  -4.965393      20.62330 
1 1 1 -10 -5  12 f 165.881 6.2432  3341.22    251.286  2752.34    374.269  3824.57    339.076  150.087 10.340  177.428 7.8761  -27.34120      12.99827 
1 1 1 -10 -5  13 o 860.141 16.677  90323.82   3480.54  92249.74   4923.62  88400.08   4920.82  866.630 23.415  848.132 23.912  18.49860       33.46659 
1 1 1 -10 -5  14 o 278.172 6.0249  9395.58    406.658  9215.00    576.313  9574.65    573.896  275.364 8.6256  280.697 8.4262  -5.333099      12.05822 
1 1 1 -10 -5  15 o 595.095 11.893  43108.42   1717.33  43141.34   2430.08  43075.57   2427.27  594.322 16.851  593.870 16.845  0.4515991      23.82672 
1 1 1 -10 -5  16 o 609.488 12.196  45232.38   1803.58  44132.85   2552.08  46329.45   2549.22  600.875 17.504  615.762 17.062  -14.88684      24.44412 
1 1 1 -10 -5  17 o 449.319 9.1194  24545.54   994.229  24312.18   1407.46  24777.96   1404.65  446.689 12.986  450.970 12.837  -4.280914      18.25960 
1 1 1 -10 -5  18 o 456.877 9.2020  25382.69   1020.11  25167.30   1444.09  25597.23   1441.22  454.396 13.098  458.283 12.961  -3.886963      18.42648 
1 1 1 -10 -5  19 o 305.025 6.5106  11301.85   481.859  10969.47   682.745  11631.73   680.167  300.305 9.3698  309.263 9.0641  -8.957916      13.03654 
1 1 1 -10 -5  20 o 120.339 3.8678  1757.75    112.937  1742.55    160.734  1772.57    158.719  119.786 5.5301  120.817 5.4143  -1.030174      7.739285 
1 1 1 -10 -5  21 o 187.461 4.5893  4266.76    208.750  4369.17    296.222  4165.74    294.222  189.625 6.4381  185.153 6.5491  4.471924       9.183633 
1 1 1 -10 -5  22 o 301.570 6.4827  11053.90   474.361  11103.76   672.381  11004.50   669.326  301.969 9.1768  300.616 9.1762  1.352570       12.97749 
1 1 1 -10 -5  23 o 277.488 6.1092  9359.74    411.333  9566.26    583.519  9155.75    579.922  280.269 8.5806  274.172 8.7173  6.096313       12.23182 
1 1 1 -10 -5  24 o 43.521  4.3541  232.352    45.362   226.802    62.965   238.342    65.407   42.737  6.2574  43.820  6.3356  -1.082619      8.904728 
1 1 1 -10 -5  25 o 139.167 5.7374  2355.10    193.738  2787.94    258.836  1803.66    292.154  151.327 7.0493  121.095 10.033  30.23217       12.26225 
1 1 1 -10 -5  26 o 212.487 7.0563  5499.09    363.811  5622.77    497.378  5356.77    533.536  214.515 9.5557  208.957 10.557  5.558670       14.23967 
1 1 1 -10 -5  27 o 177.412 6.2270  3830.89    268.055  3605.14    362.072  4104.70    398.749  171.623 8.7234  183.327 8.9642  -11.70438      12.50818 
1 1 1 -10 -5  28 o 9.8732  4.7141  -43.0167   31.606   -42.6246   45.991   -43.3676   43.508   12.954  6.0281  12.422  5.8080  0.5319796      8.370779 
1 1 1 -10 -5  29 o 326.493 6.9948  12984.48   554.129  13108.69   786.198  12861.86   781.140  327.395 9.8968  324.290 9.9273  3.104889       14.01780 
1 1 1 -10 -5  30 o 209.214 5.0722  5321.48    257.486  5585.42    366.692  5064.76    361.640  214.129 7.0577  203.874 7.3106  10.25464       10.16145 
1 1 1 -10 -5  31 o 45.222  4.4068  250.852    47.739   255.617    65.261   245.367    70.017   45.433  6.0719  44.396  6.7089  1.036686       9.048612 
1 1 1 -10 -5  32 o 164.035 4.3371  3269.64    172.624  3260.22    245.662  3278.84    242.621  163.663 6.1862  164.138 6.0919  -0.4747467     8.682182 
1 1 1 -10 -5  33 o 220.414 7.4350  5922.71    397.637  6004.43    595.269  5856.87    534.340  220.995 11.137  218.745 10.067  2.249710       15.01277 
1 1 1 -10 -5  34 o 95.949  5.8186  1124.48    134.823  804.933    219.688  1317.54    170.762  80.152  11.636  103.767 6.8201  -23.61530      13.48753 
1 1 1 -10 -5  35 o 177.816 6.6813  3852.99    288.268  3752.46    441.710  3927.56    380.459  174.618 10.474  179.247 8.7477  -4.628860      13.64617 
1 1 1 -10 -5  36 o 127.247 3.9748  1967.79    122.723  1918.91    174.847  2015.25    172.295  125.540 5.7400  128.670 5.5186  -3.130371      7.962615 
1 1 1 -10 -5  37 o 155.820 4.2962  2952.37    162.434  2890.62    231.676  3012.07    227.807  153.993 6.2003  157.222 5.9716  -3.228622      8.608375 
1 1 1 -10 -5  38 o 116.854 3.8058  1660.06    107.908  1611.72    152.260  1708.83    152.953  115.013 5.4560  118.440 5.3223  -3.426300      7.621946 
1 1 1 -10 -5  39 o 146.788 4.2013  2621.97    149.635  2605.33    213.668  2637.99    209.621  146.088 6.0278  147.023 5.8760  -0.9353638     8.418006 
1 1 1 -10 -5  40 f 74.780  4.0646  682.703    73.473   721.617    103.289  642.842    104.536  76.679  5.5900  72.282  6.0150  4.397858       8.211486 
1 1 1 -10 -5  41 o 127.741 4.1326  1987.79    128.091  1954.89    182.361  2019.82    179.959  126.404 5.9457  128.518 5.7709  -2.113434      8.285872 
1 1 1 -10 -5  42 o 131.324 4.1748  2102.45    133.030  2098.11    190.137  2106.60    186.191  130.855 5.9884  131.150 5.8510  -0.2941284     8.372258 
1 1 1 -10 -5  43 o 93.699  3.9782  1070.47    90.445   932.597    128.830  1204.47    127.006  86.948  6.1461  99.061  5.3032  -12.11328      8.117758 
1 1 1 -10 -5  44 o 43.607  4.9172  235.537    51.119   195.405    68.351   286.477    77.007   39.129  7.4716  47.740  6.8436  -8.610458      10.13215 
1 1 1 -10 -5  45 o 101.460 5.1461  1264.76    126.275  1206.76    160.644  1358.55    204.276  98.653  6.7516  104.205 8.1439  -5.552017      10.57860 
1 1 1 -10 -5  46 o 47.488  5.5471  280.650    62.713   335.879    75.695   159.756    111.990  51.875  6.1323  35.579  11.434  16.29618       12.97452 
1 1 1 -10 -5  47 o 85.354  4.0464  890.054    83.803   964.587    117.290  812.324    119.779  88.433  5.4933  80.954  6.1437  7.479538       8.241459 
1 1 1 -10 -5  48 o 52.889  16.592  387.504    236.997  335.924    399.917  415.424    294.229  53.216  20.998  54.712  18.572  -1.496227      28.03312 
1 1 1 -10 -5  49 o 28.525  7.0079  105.003    48.154   135.899    76.036   84.311     62.223   32.364  9.2306  26.238  8.5313  6.125988       12.56932 
1 1 1 -10 -5  50 o 50.229  15.033  351.939    197.497  351.939    197.497  0.0000     0.0000   50.229  15.033  ?       ?       0.000000       15.03268 
1 1 1 -10 -5  51 o 55.080  15.676  435.851    219.527  435.851    219.527  0.0000     0.0000   55.080  15.676  ?       ?       0.000000       15.67568 
1 1 1 -10 -5  52 o 17.051  6.9573  15.098     45.476   60.862     62.560   -36.1809   66.222   23.583  8.5215  16.559  7.5307  7.023912       11.37225 
1 1 1 -10 -5  53 o 17.310  6.9056  20.522     43.693   63.796     62.925   -19.7702   60.718   23.862  8.5556  16.658  7.4231  7.204338       11.32697 
1 1 1 -10 -5  54 o 80.744  4.1939  803.833    81.882   730.867    117.377  873.002    114.283  76.166  6.4109  83.614  5.6664  -7.448135      8.556182 
1 1 1 -10 -5  55 o 42.977  5.4075  232.803    55.141   200.776    80.546   261.053    75.648   38.778  8.7662  44.956  7.1763  -6.177067      11.32899 
1 1 1 -10 -5  56 o 29.585  7.8097  115.646    56.885   108.731    73.955   125.665    89.019   28.983  9.2891  31.083  10.209  -2.099771      13.80258 
1 1 1 -10 -5  57 f 20.173  7.4223  42.686     47.770   50.454     62.047   31.379     74.855   22.345  8.4127  21.977  8.9419  0.3679180      12.27723 
1 1 1 -10 -5  58 o 37.923  9.8748  195.470    91.759   0.0000     0.0000   195.470    91.759   ?       ?       37.923  9.8748  0.000000       9.874832 
1 1 1 -10 -5  59 o 64.569  6.8727  531.481    106.020  531.481    106.020  0.0000     0.0000   64.569  6.8727  ?       ?       0.000000       6.872725 
1 1 1 -10 -5  60 o 44.774  5.5612  253.586    59.116   220.521    77.215   300.416    91.893   40.814  8.0831  47.741  8.2299  -6.927605      11.53550 
1 1 1 -10 -5  61 o 22.126  7.3776  60.357     46.425   15.164     60.415   125.522    72.547   18.932  7.8997  30.560  9.1030  -11.62802      12.05282 
1 1 1 -10 -4  1  f 332.314 9.7657  13426.44   787.435  13440.30   1098.89  13411.81   1128.92  332.149 13.635  331.757 14.024  0.3921509      19.56004 
1 1 1 -10 -4  2  o 133.877 5.2846  2175.78    171.665  2139.53    231.717  2219.88    255.574  132.525 7.2334  134.950 7.8389  -2.425156      10.66633 
1 1 1 -10 -4  3  o 686.265 13.449  57363.81   2239.47  58465.77   3168.76  56264.16   3165.43  691.498 18.886  678.255 19.234  13.24268       26.95607 
1 1 1 -10 -4  4  o 615.892 12.099  46166.58   1808.14  45789.66   2558.56  46542.63   2555.62  612.374 17.219  617.425 17.059  -5.051147      24.23852 
1 1 1 -10 -4  5  o 598.105 11.826  43531.86   1716.29  43305.77   2428.45  43757.48   2425.96  595.631 16.803  598.752 16.698  -3.121094      23.68915 
1 1 1 -10 -4  6  o 330.627 6.8987  13275.71   553.435  13656.73   783.667  12896.62   781.686  335.173 9.6360  325.695 9.8914  9.478760       13.80916 
1 1 1 -10 -4  7  o 541.164 10.644  35616.91   1397.67  34385.66   1977.65  36845.55   1975.55  531.026 15.349  549.789 14.809  -18.76276      21.32814 
1 1 1 -10 -4  8  o 338.151 7.0442  13887.43   577.973  13721.90   818.390  14052.15   816.369  335.943 10.040  339.972 9.8964  -4.029114      14.09750 
1 1 1 -10 -4  9  o 600.139 17.039  43971.43   2481.23  41536.66   3529.59  46350.14   3488.73  581.181 25.029  614.453 23.400  -33.27246      34.26404 
1 1 1 -10 -4  10 o 615.095 17.345  46201.96   2588.69  44634.07   3681.97  47734.57   3640.30  602.394 25.190  623.336 24.069  -20.94220      34.84045 
1 1 1 -10 -4  11 o 687.681 19.553  57854.70   3262.65  53552.01   4635.38  62079.20   4593.08  658.329 29.019  709.809 26.668  -51.48022      39.41186 
1 1 1 -10 -4  12 o 120.018 7.0954  1755.59    205.708  0.0000     0.0000   1755.59    205.708  ?       ?       120.018 7.0954  0.000000       7.095356 
1 1 1 -10 -4  13 o 335.405 7.0357  13663.35   572.588  13081.62   811.054  14241.40   808.475  327.987 10.191  342.253 9.7354  -14.26535      14.09400 
1 1 1 -10 -4  14 o 294.527 6.3089  10533.69   450.864  10659.49   638.953  10408.94   636.291  296.147 8.8920  292.642 8.9610  3.505157       12.62403 
1 1 1 -10 -4  15 o 336.024 6.9598  13714.19   567.450  13569.35   803.868  13858.06   801.130  334.048 9.9177  337.594 9.7801  -3.545776      13.92882 
1 1 1 -10 -4  16 f 183.269 4.7070  4077.06    209.312  4154.51    297.172  4000.81    294.866  184.952 6.6219  181.497 6.6956  3.455521       9.417095 
1 1 1 -10 -4  17 o 407.422 8.3896  20174.80   829.375  20514.13   1174.33  19837.11   1171.51  410.472 11.791  403.621 11.962  6.851257       16.79622 
1 1 1 -10 -4  18 o 307.692 6.6468  11499.91   496.243  11362.16   703.139  11636.62   700.457  305.652 9.4809  309.333 9.3323  -3.681458      13.30340 
1 1 1 -10 -4  19 o 562.974 11.227  38596.37   1533.66  38376.04   2170.50  38816.05   2167.36  560.290 15.966  563.523 15.851  -3.233521      22.49778 
1 1 1 -10 -4  20 o 366.540 7.5947  16330.87   675.459  16782.02   956.836  15882.72   953.659  371.229 10.623  361.112 10.884  10.11710       15.20856 
1 1 1 -10 -4  21 o 232.674 5.2699  6574.99    297.522  6784.41    422.060  6368.14    419.470  236.230 7.3633  228.856 7.5540  7.374481       10.54898 
1 1 1 -10 -4  22 o 226.303 5.2581  6221.03    288.726  6138.31    409.496  6302.81    407.156  224.646 7.5125  227.648 7.3711  -3.001221      10.52479 
1 1 1 -10 -4  23 o 512.168 10.257  32004.62   1274.62  31983.33   1804.41  32025.82   1800.77  510.536 14.566  510.891 14.527  -0.3546753     20.57176 
1 1 1 -10 -4  24 o 342.891 7.1185  14309.91   592.254  14848.67   839.450  13775.95   835.709  348.762 9.9198  335.857 10.255  12.90546       14.26770 
1 1 1 -10 -4  25 o 338.824 10.247  14033.67   842.455  15101.59   1172.07  12892.23   1211.74  350.410 13.785  323.203 15.451  27.20743       20.70701 
1 1 1 -10 -4  26 o 183.052 6.5635  4079.20    291.525  4538.27    394.908  3529.42    432.163  192.862 8.4389  169.490 10.561  23.37209       13.51845 
1 1 1 -10 -4  27 o 338.059 10.035  13981.39   823.101  13937.29   1143.77  14028.76   1185.43  336.196 14.021  337.112 14.492  -0.9157104     20.16480 
1 1 1 -10 -4  28 o 279.266 6.1063  9490.82    413.774  9763.16    587.544  9222.85    582.815  282.826 8.5616  274.855 8.7390  7.971893       12.23406 
1 1 1 -10 -4  29 o 271.174 5.9272  8946.93    390.000  9442.84    553.879  8459.29    549.236  278.224 8.2046  263.265 8.5981  14.95871       11.88453 
1 1 1 -10 -4  30 o 152.439 4.2276  2823.32    156.370  2822.18    222.758  2824.44    219.559  152.293 6.0282  152.361 5.9390  -0.6745911E-01 8.462347 
1 1 1 -10 -4  31 o 148.974 4.0638  2696.19    146.896  2564.59    208.633  2825.57    206.864  145.181 5.9226  152.413 5.5937  -7.232132      8.146531 
1 1 1 -10 -4  32 o 322.660 6.8622  12681.38   537.244  12741.63   762.345  12621.92   757.235  322.772 9.7340  321.257 9.7144  1.514648       13.75209 
1 1 1 -10 -4  33 o 239.736 8.1041  7013.41    471.414  6198.98    699.272  7691.92    638.258  224.032 12.919  250.572 10.498  -26.54071      16.64622 
1 1 1 -10 -4  34 o 138.195 6.1687  2325.26    206.847  2006.25    322.172  2548.99    269.798  127.515 10.506  144.340 7.7316  -16.82524      13.04443 
1 1 1 -10 -4  35 o 155.171 6.3290  2933.07    238.290  3683.05    381.577  2453.60    305.096  173.271 9.1079  141.361 8.9410  31.90976       12.76307 
1 1 1 -10 -4  36 o 129.387 4.1391  2034.97    129.945  2060.14    186.045  2011.00    181.575  130.055 5.8956  128.501 5.8235  1.554321       8.286815 
1 1 1 -10 -4  37 f 64.425  4.2976  506.980    66.795   542.041    92.800   469.290    96.216   66.446  5.8145  61.686  6.5275  4.760246       8.741673 
1 1 1 -10 -4  38 o 107.367 3.9738  1401.93    103.523  1386.19    148.310  1416.90    144.570  106.467 5.7625  107.674 5.5524  -1.206306      8.002245 
1 1 1 -10 -4  39 o 54.967  4.3134  370.038    57.067   320.574    79.063   423.833    82.453   50.792  6.5692  58.634  5.8746  -7.841423      8.812768 
1 1 1 -10 -4  40 o 34.644  5.9522  150.788    48.231   178.841    64.750   115.822    72.290   37.542  7.3713  30.438  9.0915  7.104273       11.70432 
1 1 1 -10 -4  41 o 106.712 4.0271  1387.20    104.272  1428.65    147.990  1346.34    146.943  107.933 5.6707  104.742 5.8045  3.191040       8.114769 
1 1 1 -10 -4  42 o 74.431  4.0736  677.349    73.289   645.365    103.305  709.760    103.992  72.328  5.9389  75.923  5.6863  -3.595139      8.222174 
1 1 1 -10 -4  43 o 105.996 4.0743  1370.51    104.786  1383.03    149.053  1358.28    147.342  106.026 5.8160  105.074 5.8017  0.9522018      8.214990 
1 1 1 -10 -4  44 o 67.704  4.1816  561.758    68.359   556.887    96.081   566.750    97.278   67.062  5.9670  67.653  5.9879  -0.5908203     8.453412 
1 1 1 -10 -4  45 o 48.606  5.5330  293.678    64.092   276.487    79.534   325.516    108.237  46.742  7.2473  50.246  9.2176  -3.503452      11.72547 
1 1 1 -10 -4  46 f 70.756  5.1995  617.378    88.641   688.245    110.158  487.209    149.297  74.495  6.1493  61.267  10.416  13.22799       12.09555 
1 1 1 -10 -4  47 o 12.802  5.8215  -23.7039   39.564   29.846     61.578   -61.3502   51.630   20.682  8.2146  12.935  6.1329  7.746343       10.25141 
1 1 1 -10 -4  48 o 70.093  4.6698  604.686    78.968   288.460    104.984  1016.73    119.838  47.011  9.5298  90.758  5.4674  -43.74697      10.98680 
1 1 1 -10 -4  49 o 44.588  7.6982  254.826    80.276   254.826    80.276   0.0000     0.0000   44.588  7.6982  ?       ?       0.000000       7.698191 
1 1 1 -10 -4  50 o 98.061  12.644  1285.05    293.835  1285.05    293.835  0.0000     0.0000   98.061  12.644  ?       ?       0.000000       12.64393 
1 1 1 -10 -4  51 o 23.359  8.7472  54.480     66.904   195.119    188.180  34.130     71.581   39.909  14.724  22.044  8.8235  17.86436       17.16534 
1 1 1 -10 -4  52 o 22.254  7.1912  60.857     44.253   30.581     63.929   88.710     61.318   20.851  8.3411  26.534  8.4536  -5.683088      11.87591 
1 1 1 -10 -4  53 o 66.812  4.4927  551.971    72.410   579.680    104.933  526.783    100.047  67.811  6.4553  64.613  6.4684  3.198502       9.138442 
1 1 1 -10 -4  54 o 60.803  4.5915  458.507    67.241   521.347    95.142   395.795    95.044   64.316  6.1724  55.570  7.2194  8.746025       9.498346 
1 1 1 -10 -4  55 o 84.563  4.3108  883.177    88.158   995.353    126.197  776.256    123.205  89.129  5.8681  78.360  6.5396  10.76894       8.786467 
1 1 1 -10 -4  56 o 18.897  7.5150  26.443     51.595   20.783     61.359   40.106     95.329   19.608  8.0502  24.584  10.057  -4.976501      12.88197 
1 1 1 -10 -4  57 o 19.925  8.6374  -2.3440    77.179   0.0000     0.0000   -2.3440    77.179   ?       ?       19.925  8.6374  0.000000       8.637360 
1 1 1 -10 -4  58 o 59.871  5.8646  451.295    84.101   463.790    100.456  422.015    153.777  60.248  7.0024  54.989  11.873  5.258842       13.78411 
1 1 1 -10 -4  59 o 21.122  8.4819  32.307     66.381   32.307     66.381   0.0000     0.0000   21.122  8.4819  ?       ?       0.000000       8.481944 
1 1 1 -10 -4  60 o 15.200  6.5675  -2.2099    44.329   -10.7126   54.818   13.857     75.354   16.245  7.1552  20.679  8.7370  -4.434092      11.29301 
1 1 1 -10 -3  1  o 216.504 9.6807  5698.53    508.554  5698.53    508.554  0.0000     0.0000   216.504 9.6807  ?       ?       0.000000       9.680692 
1 1 1 -10 -3  2  o 265.800 8.1798  8583.75    527.545  8593.98    730.876  8572.62    762.236  265.780 11.333  265.416 11.836  0.3640747      16.38690 
1 1 1 -10 -3  3  o 67.728  3.2675  556.638    53.698   578.987    75.959   534.312    75.921   68.915  4.5685  66.176  4.7600  2.739059       6.597575 
1 1 1 -10 -3  4  o 552.465 10.960  37125.09   1469.22  36175.10   2079.12  38072.65   2076.47  544.604 15.734  558.783 15.315  -14.17896      21.95687 
1 1 1 -10 -3  5  o 315.877 6.4273  12115.95   492.616  11698.14   697.927  12530.74   695.407  310.234 9.2716  321.107 8.9254  -10.87234      12.86956 
1 1 1 -10 -3  6  f 463.977 9.2267  26165.10   1038.74  26345.39   1470.36  25985.47   1467.64  465.151 13.028  461.954 13.094  3.196838       18.47055 
1 1 1 -10 -3  7  o 462.187 9.2065  25963.37   1032.47  25031.15   1461.35  26892.48   1458.91  453.367 13.284  469.986 12.793  -16.61859      18.44288 
1 1 1 -10 -3  8  o 322.179 6.5484  12604.61   511.914  12195.13   724.952  13011.84   722.963  316.746 9.4327  327.201 9.1062  -10.45569      13.11100 
1 1 1 -10 -3  9  o 549.674 15.581  36848.10   2078.10  35549.91   2959.29  38111.07   2918.87  538.343 22.655  557.684 21.571  -19.34064      31.28165 
1 1 1 -10 -3  10 o 63.941  5.0732  499.418    78.064   439.628    123.888  538.789    100.533  59.500  8.8507  66.311  6.3249  -6.811108      10.87836 
1 1 1 -10 -3  11 o 258.893 8.1627  8143.40    512.767  7691.82    744.979  8549.93    706.847  251.386 12.213  265.120 10.988  -13.73380      16.42877 
1 1 1 -10 -3  12 o 225.191 7.3997  6159.71    404.325  5745.40    591.355  6523.41    554.068  217.023 11.269  231.636 9.8581  -14.61247      14.97220 
1 1 1 -10 -3  13 o 398.621 7.9514  19304.94   769.077  19102.69   1088.74  19506.37   1086.54  396.239 11.324  400.418 11.183  -4.178894      15.91540 
1 1 1 -10 -3  14 f 153.763 4.1221  2869.50    153.793  2705.25    217.941  3032.41    217.052  149.265 6.0175  158.040 5.6602  -8.775452      8.261286 
1 1 1 -10 -3  15 o 287.097 6.1871  10008.87   431.000  9654.20    610.543  10361.18   608.515  281.827 8.9283  291.984 8.5891  -10.15735      12.38900 
1 1 1 -10 -3  16 o 229.617 5.1111  6400.61    284.764  6170.06    403.955  6628.36    401.490  225.365 7.3873  233.597 7.0834  -8.232666      10.23457 
1 1 1 -10 -3  17 o 196.553 4.8500  4689.87    231.307  5008.16    328.385  4376.45    325.865  203.059 6.6650  189.807 7.0756  13.25201       9.720358 
1 1 1 -10 -3  18 o 26.133  6.0331  86.278     37.481   89.916     53.452   82.758     52.571   26.919  7.7586  25.965  7.7524  0.9542465      10.96793 
1 1 1 -10 -3  19 o 286.720 6.1344  9985.06    426.773  9970.95    605.201  9999.03    601.910  286.350 8.7104  286.757 8.6507  -0.4074097     12.27625 
1 1 1 -10 -3  20 o 353.108 7.3451  15154.99   629.313  15692.01   891.652  14621.97   888.323  358.997 10.236  346.500 10.566  12.49692       14.71114 
1 1 1 -10 -3  21 o 320.285 6.7524  12468.20   524.761  12733.49   743.691  12205.14   740.566  323.388 9.4777  316.588 9.6406  6.800018       13.51923 
1 1 1 -10 -3  22 o 156.303 4.2328  2966.49    160.532  3109.30    227.982  2826.05    226.084  159.958 5.8739  152.488 6.1104  7.470093       8.475861 
1 1 1 -10 -3  23 o 223.471 5.2120  6067.95    282.609  6092.56    400.928  6043.65    398.422  223.750 7.3848  222.852 7.3682  0.8983307      10.43199 
1 1 1 -10 -3  24 o 261.162 8.2709  8312.14    524.117  8827.71    722.661  7740.02    761.272  268.658 11.086  251.292 12.485  17.36661       16.69668 
1 1 1 -10 -3  25 o 313.501 9.5547  12005.36   726.805  12640.21   1007.96  11317.79   1048.98  320.772 12.950  303.129 14.262  17.64325       19.26431 
1 1 1 -10 -3  26 o 149.926 5.8217  2734.53    211.784  2773.20    283.016  2685.32    319.264  150.623 7.7703  148.032 8.9304  2.591507       11.83762 
1 1 1 -10 -3  27 o 65.010  4.1879  515.610    65.708   587.709    104.528  468.504    84.490   69.204  6.2937  61.799  5.6988  7.405357       8.490409 
1 1 1 -10 -3  28 o 324.714 6.9285  12842.09   545.887  13088.23   773.938  12598.40   770.079  327.185 9.7487  320.969 9.8880  6.216492       13.88561 
1 1 1 -10 -3  29 o 59.426  3.9194  430.834    56.197   438.479    78.678   422.871    80.297   59.796  5.4838  58.685  5.7114  1.110443       7.917878 
1 1 1 -10 -3  30 o 166.684 4.3856  3376.01    177.372  3349.59    253.495  3401.35    248.270  165.892 6.2977  167.184 6.1202  -1.292053      8.781685 
1 1 1 -10 -3  31 o 154.029 4.3317  2882.83    161.890  2773.85    231.320  2987.46    226.646  150.956 6.3153  156.689 5.9613  -5.733017      8.684535 
1 1 1 -10 -3  32 o 76.146  6.8909  712.040    125.938  562.087    219.341  785.786    153.819  66.290  14.072  79.859  8.0479  -13.56832      16.21066 
1 1 1 -10 -3  33 o 146.897 6.2706  2627.23    223.504  3158.71    356.532  2283.15    286.870  160.488 9.1940  136.444 8.7104  24.04388       12.66494 
1 1 1 -10 -3  34 o 233.013 7.8487  6626.24    443.750  6628.16    667.381  6624.71    594.106  231.866 11.903  232.436 10.534  -0.5703888     15.89456 
1 1 1 -10 -3  35 o 97.839  4.0071  1163.30    95.127   1257.50    133.540  1066.27    135.541  101.506 5.4418  93.379  6.0141  8.126930       8.110650 
1 1 1 -10 -3  36 o 66.595  4.1950  541.283    67.439   625.713    93.899   451.332    96.921   71.484  5.4548  60.465  6.7198  11.01899       8.655105 
1 1 1 -10 -3  37 o 179.150 4.7399  3905.75    206.038  3709.42    294.221  4094.69    288.622  174.279 6.9577  183.184 6.4935  -8.905212      9.517056 
1 1 1 -10 -3  38 o 86.526  4.0530  910.744    85.092   1011.23    119.549  807.557    121.143  90.916  5.4443  81.099  6.2034  9.817703       8.253614 
1 1 1 -10 -3  39 o 56.223  4.4453  387.353    60.148   403.667    81.689   368.035    88.892   57.179  5.9763  54.406  6.8879  2.772945       9.119149 
1 1 1 -10 -3  40 o 80.701  4.0259  793.066    78.832   755.253    110.872  831.727    112.109  78.375  5.8728  82.308  5.6477  -3.932373      8.147804 
1 1 1 -10 -3  41 o 22.193  6.4193  61.684     36.533   95.319     45.352   -0.4817    61.655   27.330  6.8518  18.346  7.8328  8.984188       10.40670 
1 1 1 -10 -3  42 o 161.995 4.5170  3203.64    177.546  3261.60    254.698  3148.85    247.628  162.930 6.4426  160.111 6.3740  2.819611       9.062856 
1 1 1 -10 -3  43 o 33.554  5.3767  141.298    42.297   159.545    57.693   120.094    62.193   35.379  6.9687  30.585  8.2089  4.793779       10.76796 
1 1 1 -10 -3  44 o 121.819 5.4337  1820.41    160.612  1744.22    206.466  1937.18    255.600  118.541 7.2125  124.405 8.5189  -5.863716      11.16202 
1 1 1 -10 -3  45 o 33.475  6.9118  143.442    54.280   131.811    65.070   170.050    98.423   31.933  8.3158  36.221  10.554  -4.287457      13.43630 
1 1 1 -10 -3  46 o 120.487 5.5195  1783.83    161.364  1851.51    207.536  1680.38    256.598  122.080 7.0361  115.299 9.2499  6.781059       11.62179 
1 1 1 -10 -3  47 o 65.247  4.4306  523.341    69.728   510.429    98.904   536.100    98.318   63.964  6.4611  65.624  6.2500  -1.660141      8.989379 
1 1 1 -10 -3  48 o 62.182  4.5015  476.047    67.459   482.450    99.332   470.567    91.903   62.059  6.7031  61.407  6.2554  0.6524811      9.168525 
1 1 1 -10 -3  49 o 59.556  6.4942  444.635    92.324   444.635    92.324   0.0000     0.0000   59.556  6.4942  ?       ?       0.000000       6.494184 
1 1 1 -10 -3  50 o 78.382  6.4175  767.846    120.982  756.234    241.322  771.744    139.822  74.019  13.948  78.185  7.4609  -4.165802      15.81829 
1 1 1 -10 -3  51 o 25.001  8.8933  70.771     67.862   102.260    191.555  66.251     72.569   35.092  14.294  24.913  9.1509  10.17908       16.97239 
1 1 1 -10 -3  52 o 86.650  4.2834  922.600    90.057   950.586    128.955  895.958    125.821  87.177  6.1355  84.608  6.1714  2.568787       8.702323 
1 1 1 -10 -3  53 o 56.338  4.6652  393.995    63.200   446.561    90.612   344.198    88.193   59.445  6.3820  51.812  7.2106  7.632896       9.629288 
1 1 1 -10 -3  54 o 25.439  8.1091  82.040     56.418   181.351    185.988  71.976     59.208   38.256  14.527  24.408  8.3311  13.84817       16.74624 
1 1 1 -10 -3  55 o 61.875  4.6079  475.220    68.685   509.224    99.975   444.822    94.525   63.334  6.6028  59.110  6.7094  4.223835       9.413454 
1 1 1 -10 -3  56 o 66.487  7.0657  564.237    112.240  0.0000     0.0000   564.237    112.240  ?       ?       66.487  7.0657  0.000000       7.065725 
1 1 1 -10 -3  57 o 33.339  10.042  148.969    87.921   0.0000     0.0000   148.969    87.921   ?       ?       33.339  10.042  0.000000       10.04188 
1 1 1 -10 -3  58 o 19.410  7.9140  22.246     58.788   1.5364     66.539   95.926     125.506  18.818  8.0882  30.442  11.836  -11.62477      14.33567 
1 1 1 -10 -3  59 o 17.863  7.5604  7.3098     56.579   35.050     64.056   -91.1495   120.679  21.086  8.3773  20.791  9.7052  0.2949352      12.82070 
1 1 1 -10 -3  60 o 26.821  7.6396  94.912     52.118   70.984     67.529   130.162    81.962   24.665  8.8610  31.162  9.7542  -6.497063      13.17807 
1 1 1 -10 -2  1  o 945.135 26.267  109999.80  6023.76  111239.90  8499.99  108748.70  8537.91  943.511 37.128  932.438 37.737  11.07343       52.93963 
1 1 1 -10 -2  2  f 121.632 3.6870  1795.38    108.814  1911.13    154.304  1680.87    153.473  125.475 5.0682  117.670 5.3753  7.805389       7.387871 
1 1 1 -10 -2  3  o 278.740 6.0547  9433.52    409.504  9918.73    579.755  8950.39    578.501  285.716 8.3627  271.390 8.7851  14.32605       12.12897 
1 1 1 -10 -2  4  o 604.761 11.916  44506.30   1748.48  44108.39   2473.29  44903.86   2472.17  601.116 16.957  606.547 16.798  -5.430969      23.86854 
1 1 1 -10 -2  5  o 316.385 6.5887  12155.41   505.804  12303.91   715.898  12007.38   714.733  318.167 9.2733  314.303 9.3720  3.863525       13.18435 
1 1 1 -10 -2  6  o 449.056 10.499  24522.17   1143.95  24887.34   1405.62  23805.87   1968.66  452.127 12.813  441.376 18.382  10.75015       22.40697 
1 1 1 -10 -2  7  f 319.154 6.6840  12369.46   517.610  12406.81   732.990  12332.31   731.036  319.483 9.4555  318.522 9.4588  0.9609070      13.37445 
1 1 1 -10 -2  8  o 606.798 11.929  44807.00   1756.30  44518.18   2484.87  45095.31   2482.69  603.901 16.958  607.831 16.834  -3.929138      23.89436 
1 1 1 -10 -2  9  o 283.697 8.8671  9780.84    610.378  8732.11    883.420  10738.78   844.315  267.401 13.661  297.078 11.713  -29.67719      17.99519 
1 1 1 -10 -2  10 o 111.581 5.0942  1511.33    137.920  1711.88    211.544  1363.05    181.894  118.487 7.3950  105.698 7.1341  12.78955       10.27528 
1 1 1 -10 -2  11 o 955.946 26.642  112580.20  6179.72  110504.80  8760.68  114635.60  8718.35  939.396 38.435  957.490 37.526  -18.09406      53.71650 
1 1 1 -10 -2  12 o 665.614 13.078  53952.59   2112.11  52233.63   2988.11  55668.93   2985.82  653.606 18.842  674.924 18.232  -21.31750      26.21885 
1 1 1 -10 -2  13 o 297.972 6.4202  10781.65   464.180  11008.71   657.480  10556.01   655.424  300.959 9.0035  294.696 9.1661  6.262726       12.84835 
1 1 1 -10 -2  14 o 522.780 10.473  33240.30   1328.48  33818.50   1879.94  32663.56   1877.57  526.663 14.711  517.549 14.951  9.113342       20.97523 
1 1 1 -10 -2  15 o 602.046 11.727  44117.60   1713.16  42865.36   2423.95  45367.41   2421.61  592.409 16.863  609.571 16.372  -17.16180      23.50370 
1 1 1 -10 -2  16 o 440.575 8.8798  23595.27   949.263  24396.15   1343.79  22797.55   1341.14  447.577 12.374  432.610 12.776  14.96689       17.78615 
1 1 1 -10 -2  17 o 73.754  3.6482  660.178    65.288   724.333    92.771   597.224    91.898   77.082  4.9869  69.922  5.4599  7.160316       7.394556 
1 1 1 -10 -2  18 o 384.429 7.8626  17961.05   733.407  17885.69   1038.54  18036.03   1035.85  383.278 11.167  384.895 11.092  -1.616638      15.73943 
1 1 1 -10 -2  19 o 280.255 6.0569  9539.93    411.878  10039.37   583.725  9044.72    581.250  287.346 8.3722  272.710 8.7841  14.63599       12.13481 
1 1 1 -10 -2  20 o 196.778 4.7145  4701.47    225.101  4877.55    319.805  4528.58    316.897  200.352 6.5785  193.044 6.7655  7.309067       9.436545 
1 1 1 -10 -2  21 o 264.113 5.9904  8475.76    383.894  8610.58    544.358  8342.37    541.470  266.005 8.4340  261.821 8.5233  4.184113       11.99074 
1 1 1 -10 -2  22 o 147.347 4.0753  2636.22    145.703  2655.21    207.244  2617.66    204.887  147.814 5.7783  146.766 5.7534  1.047897       8.154192 
1 1 1 -10 -2  23 o 64.420  3.7824  505.648    58.863   511.854    83.535   499.527    82.959   64.676  5.3717  63.884  5.4025  0.7920837      7.618520 
1 1 1 -10 -2  24 o 134.808 5.5459  2209.50    181.406  2223.66    242.114  2191.37    273.913  134.923 7.4241  133.799 8.4810  1.124680       11.27141 
1 1 1 -10 -2  25 o 234.830 7.5313  6719.73    429.130  6625.60    588.018  6826.98    627.684  232.715 10.414  236.120 10.956  -3.404861      15.11535 
1 1 1 -10 -2  26 o 70.897  5.1880  614.408    88.628   641.825    112.958  570.500    142.950  72.319  6.5069  67.782  8.9073  4.536446       11.03087 
1 1 1 -10 -2  27 o 305.925 6.5643  11394.65   487.268  11626.07   690.741  11165.41   687.473  308.484 9.2282  302.278 9.3731  6.206482       13.15356 
1 1 1 -10 -2  28 o 54.077  4.0732  357.261    53.052   285.402    75.040   429.072    75.015   47.969  6.6239  59.169  5.2805  -11.20087      8.471098 
1 1 1 -10 -2  29 o 76.383  3.7232  708.620    69.005   672.822    97.816   744.086    97.361   74.179  5.4732  78.060  5.1696  -3.880577      7.528673 
1 1 1 -10 -2  30 o 115.881 4.0189  1631.30    113.001  1655.05    160.450  1607.93    159.174  116.645 5.6690  114.970 5.7059  1.674408       8.043316 
1 1 1 -10 -2  31 o 203.440 4.8873  5031.31    241.251  5126.15    343.965  4939.50    338.462  205.143 6.9103  201.371 6.9271  3.771332       9.784471 
1 1 1 -10 -2  32 o 45.408  9.6094  261.597    102.573  452.413    186.286  178.573    122.877  59.473  13.249  38.264  11.938  21.20896       17.83348 
1 1 1 -10 -2  33 o 158.302 6.5649  3052.34    252.160  2990.40    396.673  3094.34    326.655  155.853 10.552  158.952 8.5003  -3.099091      13.54965 
1 1 1 -10 -2  34 o 291.390 9.0975  10386.09   643.224  10664.32   948.248  10148.97   875.422  293.903 13.297  286.978 12.572  6.925476       18.29934 
1 1 1 -10 -2  35 o 138.968 4.2239  2347.56    142.428  2372.60    203.721  2323.62    199.203  139.566 6.0158  138.124 5.9437  1.441742       8.456821 
1 1 1 -10 -2  36 o 80.266  4.0889  785.292    79.371   838.033    111.883  731.858    112.616  82.761  5.6045  77.257  6.0561  5.504181       8.251468 
1 1 1 -10 -2  37 o 220.156 5.2856  5904.55    282.349  6107.92    402.757  5708.00    395.934  223.467 7.4279  215.997 7.5546  7.469650       10.59459 
1 1 1 -10 -2  38 o 69.752  4.1376  594.119    69.716   683.385    99.585   508.323    97.630   74.649  5.5375  64.195  6.3512  10.45425       8.426210 
1 1 1 -10 -2  39 o 63.419  4.0764  491.647    62.395   463.688    89.803   517.742    86.756   61.285  6.1210  64.883  5.5646  -3.597935      8.272304 
1 1 1 -10 -2  40 o 102.266 3.9409  1273.66    97.790   1197.75    139.938  1346.11    136.710  98.775  5.8651  104.825 5.3932  -6.050674      7.967827 
1 1 1 -10 -2  41 o 88.070  3.8717  945.006    82.735   999.926    117.773  891.496    116.252  90.254  5.4028  85.153  5.6587  5.101395       7.823750 
1 1 1 -10 -2  42 o 155.624 4.4249  2956.80    167.087  2953.72    239.153  2959.73    233.540  155.026 6.3578  155.232 6.2003  -0.2064972     8.880648 
1 1 1 -10 -2  43 o 76.122  3.9326  708.747    72.387   746.656    102.408  670.891    102.335  77.851  5.4558  73.708  5.7680  4.143143       7.939461 
1 1 1 -10 -2  44 o 116.359 5.4849  1661.82    154.857  1756.58    198.261  1513.54    247.997  119.046 6.8932  109.457 9.4297  9.589584       11.68057 
1 1 1 -10 -2  45 o 79.260  5.2493  774.021    100.382  834.912    125.058  663.727    168.310  82.053  6.3303  71.942  9.9045  10.11070       11.75464 
1 1 1 -10 -2  46 o 39.844  4.8293  197.287    45.735   223.728    62.975   167.778    66.528   42.133  6.3579  36.053  7.8293  6.079365       10.08568 
1 1 1 -10 -2  47 o 67.878  4.3801  566.164    71.755   589.531    103.498  544.537    99.571   68.823  6.2664  66.119  6.2819  2.704391       8.872997 
1 1 1 -10 -2  48 o 21.282  8.6343  26.265     69.554   26.265     69.554   0.0000     0.0000   21.282  8.6343  ?       ?       0.000000       8.634293 
1 1 1 -10 -2  49 o 57.310  14.994  463.198    210.898  463.198    210.898  0.0000     0.0000   57.310  14.994  ?       ?       0.000000       14.99382 
1 1 1 -10 -2  50 o 22.847  8.5839  51.296     64.533   41.629     172.631  52.866     69.577   31.217  13.209  23.461  8.8908  7.756622       15.92228 
1 1 1 -10 -2  51 o 22.928  7.6568  63.308     50.002   28.603     71.336   96.825     70.105   21.534  8.7415  27.797  9.0564  -6.262690      12.58698 
1 1 1 -10 -2  52 o 46.977  5.0973  275.794    57.170   224.035    84.571   319.352    77.582   41.152  8.7396  50.154  6.5301  -9.001740      10.90973 
1 1 1 -10 -2  53 o 28.211  8.4522  103.702    62.410   -7.1629    200.389  115.610    65.676   30.645  13.580  29.646  8.6162  0.9985504      16.08245 
1 1 1 -10 -2  54 o 30.771  6.8167  123.607    49.555   142.514    70.983   105.630    69.213   32.673  8.7701  28.542  8.9684  4.130564       12.54375 
1 1 1 -10 -2  55 o 28.434  7.9642  106.444    57.137   180.291    67.535   -79.5295   107.174  37.000  7.7700  19.801  9.2103  17.19890       12.05000 
1 1 1 -10 -2  56 o 76.145  6.7951  735.638    124.226  0.0000     0.0000   735.638    124.226  ?       ?       76.145  6.7951  0.000000       6.795070 
1 1 1 -10 -2  57 o 60.836  4.9240  460.887    72.062   411.984    97.275   520.367    107.279  56.651  7.2425  63.847  7.0420  -7.196362      10.10164 
1 1 1 -10 -2  58 o 13.666  6.4209  -53.3931   54.288   -25.6449   60.896   -160.8237  119.823  16.254  7.3232  18.575  8.9487  -2.320698      11.56321 
1 1 1 -10 -2  59 o 42.615  6.0179  231.772    60.495   170.451    79.899   314.149    92.606   35.447  9.2071  48.878  8.0915  -13.43080      12.25736 
1 1 1 -10 -1  1  o 784.665 17.755  75204.95   3380.36  76367.97   5840.22  74619.02   4145.32  785.475 30.643  780.230 21.896  5.245239       37.66232 
1 1 1 -10 -1  2  o 464.796 9.3702  26258.83   1056.76  25989.05   1493.81  26529.09   1495.15  461.958 13.327  466.749 13.202  -4.791412      18.75894 
1 1 1 -10 -1  3  o 809.429 15.626  79901.59   3068.99  79682.93   4339.96  80120.27   4340.45  806.195 22.186  808.427 22.127  -2.231689      31.33442 
1 1 1 -10 -1  4  o 442.238 8.9224  23767.55   957.424  23908.95   1353.78  23626.05   1354.22  443.179 12.589  440.540 12.669  2.639160       17.86045 
1 1 1 -10 -1  5  o 309.518 6.5930  11633.49   495.149  11518.04   699.956  11749.12   700.537  307.833 9.3711  310.911 9.2860  -3.077850      13.19274 
1 1 1 -10 -1  6  o 307.300 6.5629  11467.21   489.352  11370.55   691.808  11564.00   692.289  305.859 9.3218  308.454 9.2498  -2.595276      13.13222 
1 1 1 -10 -1  7  o 457.471 9.2870  25436.72   1030.86  24835.12   1457.88  26038.29   1457.84  451.592 13.305  462.442 12.992  -10.85007      18.59632 
1 1 1 -10 -1  8  o 783.199 21.568  75159.23   4098.64  76981.64   5817.55  73363.15   5775.38  788.811 30.395  769.788 30.920  19.02234       43.35817 
1 1 1 -10 -1  9  o 449.689 12.970  24622.03   1415.19  23622.38   2022.62  25580.75   1980.79  439.566 18.964  457.626 17.839  -18.05991      26.03547 
1 1 1 -10 -1  10 o 766.308 21.871  71978.91   4066.59  65224.72   5772.69  78632.64   5729.60  724.843 32.822  797.556 29.607  -72.71326      44.20299 
1 1 1 -10 -1  11 o 350.658 10.096  14950.78   859.034  16190.39   1236.27  13793.47   1194.52  364.535 13.977  336.402 14.634  28.13287       20.23647 
1 1 1 -10 -1  12 o 300.469 6.3021  10962.61   459.463  10827.76   650.578  11096.80   648.981  298.480 8.9830  302.173 8.8514  -3.693329      12.61115 
1 1 1 -10 -1  13 o 243.670 5.3724  7208.11    317.642  7450.25    450.136  6967.94    448.296  247.653 7.4909  239.494 7.7145  8.159576       10.75301 
1 1 1 -10 -1  14 o 147.822 4.1063  2652.03    147.281  2623.14    208.741  2680.67    207.837  146.984 5.8529  148.589 5.7646  -1.604813      8.215080 
1 1 1 -10 -1  15 o 136.020 3.9482  2245.44    130.306  2240.39    184.498  2250.45    184.065  135.841 5.5975  136.146 5.5719  -0.3050385     7.897971 
1 1 1 -10 -1  16 o 474.772 9.4568  27408.63   1089.42  27214.87   1541.94  27601.74   1539.40  472.545 13.448  475.911 13.331  -3.365662      18.93588 
1 1 1 -10 -1  17 o 385.655 7.8975  18074.48   739.017  18133.53   1046.45  18015.72   1043.81  385.958 11.174  384.701 11.182  1.256714       15.80847 
1 1 1 -10 -1  18 o 549.344 10.807  36738.54   1440.45  36817.27   2038.51  36660.01   2035.71  548.983 15.303  547.806 15.315  1.176636       21.65075 
1 1 1 -10 -1  19 o 433.697 8.8742  22878.83   933.855  23266.51   1322.04  22492.76   1319.30  436.803 12.474  429.446 12.661  7.357666       17.77349 
1 1 1 -10 -1  20 o 182.363 4.5196  4037.82    199.985  4010.77    283.904  4064.45    281.752  181.677 6.4403  182.893 6.3490  -1.215958      9.043648 
1 1 1 -10 -1  21 o 299.568 6.5441  10908.75   475.673  11120.90   674.103  10698.37   671.313  302.180 9.1938  296.366 9.3354  5.813843       13.10253 
1 1 1 -10 -1  22 o 276.503 6.0273  9293.75    404.376  9345.21    573.336  9242.81    570.424  276.994 8.5305  275.471 8.5341  1.522156       12.06650 
1 1 1 -10 -1  23 o 371.080 7.7097  16769.39   694.178  16657.51   983.361  16880.51   980.079  369.122 10.979  371.613 10.869  -2.490936      15.44967 
1 1 1 -10 -1  24 o 31.757  7.6432  127.801    58.184   97.265     73.820   177.885    94.540   28.688  9.2897  37.529  10.141  -8.840593      13.75301 
1 1 1 -10 -1  25 o 227.613 7.4109  6313.02    409.293  6341.08    560.014  6280.83    599.674  227.685 10.137  226.453 10.914  1.231384       14.89509 
1 1 1 -10 -1  26 o 104.583 5.1860  1329.91    131.601  1263.78    171.589  1424.38    205.080  101.618 7.0018  107.791 7.8960  -6.172806      10.55333 
1 1 1 -10 -1  27 o 234.548 5.3704  6689.87    305.637  6893.48    433.658  6488.91    430.827  237.823 7.5150  230.713 7.6960  7.110016       10.75658 
1 1 1 -10 -1  28 o 154.471 4.2279  2899.04    158.467  2978.79    225.854  2821.72    222.398  156.470 5.9489  152.284 6.0189  4.186264       8.462597 
1 1 1 -10 -1  29 o 266.743 5.8703  8656.38    379.939  8509.58    538.693  8801.70    535.948  264.083 8.4069  268.611 8.2231  -4.527771      11.75990 
1 1 1 -10 -1  30 o 165.183 4.4832  3315.81    179.686  3153.96    256.654  3471.41    251.650  160.947 6.5720  168.891 6.1408  -7.943954      8.994489 
1 1 1 -10 -1  31 o 166.102 4.6651  3353.44    188.016  3238.58    268.309  3464.25    263.544  163.064 6.7813  168.682 6.4390  -5.618240      9.351325 
1 1 1 -10 -1  32 o 154.811 6.4557  2918.45    242.497  3018.12    383.849  2852.25    312.831  156.686 10.151  152.608 8.4817  4.077560       13.22809 
1 1 1 -10 -1  33 o 48.882  8.3233  299.804    95.183   113.139    186.042  365.989    110.779  37.332  14.440  54.055  8.7447  -16.72270      16.88108 
1 1 1 -10 -1  34 o 181.223 5.4248  3996.55    238.541  3735.65    299.081  4452.68    395.451  175.025 7.0425  190.856 8.5393  -15.83064      11.06872 
1 1 1 -10 -1  35 o 51.991  4.4474  331.087    55.565   348.707    80.165   314.795    77.087   53.115  6.3458  50.412  6.4500  2.703297       9.048288 
1 1 1 -10 -1  36 o 102.372 3.9673  1274.13    98.545   1235.93    141.169  1310.43    137.626  100.538 5.8117  103.576 5.4959  -3.037323      7.998731 
1 1 1 -10 -1  37 o 178.803 4.6965  3892.38    203.756  3981.72    291.206  3806.68    285.197  180.524 6.6481  176.510 6.6590  4.014542       9.409604 
1 1 1 -10 -1  38 o 130.181 4.1037  2062.62    129.624  1992.50    185.092  2130.12    181.591  127.721 5.9726  132.103 5.6652  -4.381790      8.232043 
1 1 1 -10 -1  39 o 50.826  4.2881  316.914    52.389   269.575    74.025   364.415    74.152   46.428  6.7704  54.314  5.7122  -7.886452      8.858185 
1 1 1 -10 -1  40 o 70.848  4.0411  613.545    69.181   675.656    98.659   553.461    97.036   74.129  5.5247  66.958  6.0376  7.171478       8.183885 
1 1 1 -10 -1  41 o 42.073  4.8310  219.041    48.423   238.440    69.074   200.295    67.902   43.542  6.7569  39.712  7.3165  3.830338       9.959297 
1 1 1 -10 -1  42 o 117.356 4.1173  1680.49    117.243  1657.97    167.421  1702.17    164.238  116.055 5.9656  117.792 5.7464  -1.736450      8.283057 
1 1 1 -10 -1  43 o 106.932 5.4373  1406.01    140.611  1526.30    178.860  1211.36    227.514  111.057 6.6683  97.787  9.7175  13.27002       11.78540 
1 1 1 -10 -1  44 o 55.792  5.4117  385.501    72.339   358.780    87.560   442.952    128.389  53.455  6.9126  58.770  9.3141  -5.314240      11.59901 
1 1 1 -10 -1  45 o 72.647  5.1657  650.583    90.464   592.860    111.103  764.132    155.828  68.947  6.7270  77.816  8.3854  -8.869835      10.75022 
1 1 1 -10 -1  46 o 55.879  4.6987  385.136    63.117   427.945    91.456   346.204    87.216   58.495  6.5565  52.413  7.0356  6.081448       9.617006 
1 1 1 -10 -1  47 o 95.575  6.1406  1132.41    141.649  1132.41    141.649  0.0000     0.0000   95.575  6.1406  ?       ?       0.000000       6.140600 
1 1 1 -10 -1  48 o 93.483  6.0429  1084.50    136.337  1084.50    136.337  0.0000     0.0000   93.483  6.0429  ?       ?       0.000000       6.042937 
1 1 1 -10 -1  49 o 116.447 6.1967  1685.72    174.457  3059.49    322.600  1117.91    207.401  155.340 8.5923  93.323  9.2824  62.01743       12.64871 
1 1 1 -10 -1  50 o 29.859  9.1044  115.073    71.949   248.596    181.295  90.112     78.386   42.926  14.579  27.564  9.5779  15.36208       17.44333 
1 1 1 -10 -1  51 o 73.772  4.4248  671.529    78.839   677.122    113.061  666.236    109.992  73.413  6.4115  72.866  6.2826  0.5466156      8.976519 
1 1 1 -10 -1  52 o 55.635  4.8631  384.967    64.989   428.491    93.854   344.875    90.078   58.075  6.7885  51.811  7.3733  6.263485       10.02243 
1 1 1 -10 -1  53 o 42.718  7.2476  236.311    72.437   187.248    212.890  242.735    77.033   39.437  15.393  43.168  7.6336  -3.731358      17.18146 
1 1 1 -10 -1  54 o 54.451  5.0172  370.173    65.542   482.471    93.348   260.983    92.047   61.750  6.3193  44.276  8.8770  17.47400       10.89652 
1 1 1 -10 -1  55 o 26.882  9.7473  83.229     81.955   0.0000     0.0000   83.229     81.955   ?       ?       26.882  9.7473  0.000000       9.747327 
1 1 1 -10 -1  56 o 130.009 4.8139  2090.03    151.858  1903.92    179.277  2562.73    285.715  123.452 5.9850  141.077 8.3844  -17.62526      10.30136 
1 1 1 -10 -1  57 o 72.496  5.9222  660.461    103.265  665.083    122.193  648.909    193.158  72.233  7.0621  68.361  12.087  3.872330       13.99908 
1 1 1 -10 -1  58 o 38.202  7.6491  192.052    68.430   202.760    77.107   152.346    148.476  39.011  8.3948  35.011  13.046  4.000462       15.51397 
1 1 1 -10 -1  59 o 35.615  6.5756  164.875    54.730   183.782    69.051   132.923    89.762   37.179  7.8980  31.571  10.246  5.608709       12.93662 
1 1 1 -10 0   1  o 283.164 6.2362  9735.83    428.469  10119.65   605.360  9350.53    606.535  288.581 8.6453  277.378 9.0120  11.20242       12.48829 
1 1 1 -10 0   2  o 222.328 4.9898  6000.01    269.181  6242.73    380.097  5755.81    381.265  226.725 6.9093  217.693 7.2180  9.031754       9.991891 
1 1 1 -10 0   3  o 464.156 9.3508  26186.15   1053.12  26170.97   1488.94  26201.35   1489.73  463.587 13.237  463.857 13.236  -0.2690125     18.71915 
1 1 1 -10 0   4  o 87.134  3.4089  921.341    72.073   972.436    101.796  869.983    102.057  89.384  4.7103  84.511  4.9992  4.872505       6.868686 
1 1 1 -10 0   5  o 602.121 13.970  44167.83   2040.99  44109.39   2494.77  44286.11   3549.17  601.101 17.105  600.391 24.363  0.7097778      29.76786 
1 1 1 -10 0   6  o 92.187  3.9234  1031.38    87.761   997.214    110.592  1089.48    144.225  90.496  5.0567  94.512  6.3256  -4.015739      8.098403 
1 1 1 -10 0   7  o 453.087 13.082  24996.75   1438.18  23709.82   2054.01  26234.47   2014.35  440.341 19.224  463.431 17.914  -23.09024      26.27689 
1 1 1 -10 0   8  o 222.060 7.2261  5989.06    389.349  6051.78    569.862  5934.15    533.208  223.079 10.528  220.929 9.9467  2.150589       14.48365 
1 1 1 -10 0   9  o 287.636 9.1116  10055.34   635.920  8262.95    919.349  11699.66   880.558  259.971 14.634  310.085 11.703  -50.11407      18.73827 
1 1 1 -10 0   10 o 773.346 21.803  73304.38   4091.15  69364.38   5807.11  77186.94   5764.64  747.891 32.001  789.937 30.076  -42.04584      43.91563 
1 1 1 -10 0   11 o 999.586 19.306  122209.40  4682.38  120270.80  6622.03  124147.90  6621.73  987.440 27.639  1003.49 27.195  -16.05237      38.77469 
1 1 1 -10 0   12 o 171.811 4.4906  3582.88    187.205  3592.34    264.774  3573.43    264.722  172.000 6.3443  171.546 6.3598  0.4537659      8.983190 
1 1 1 -10 0   13 o 105.155 3.6939  1341.93    94.248   1332.66    133.139  1351.24    133.437  104.775 5.2370  105.503 5.2125  -0.7281876     7.388933 
1 1 1 -10 0   14 o 135.227 3.8140  2219.28    125.144  2269.15    177.078  2169.52    176.883  136.716 5.3380  133.679 5.4533  3.037033       7.631063 
1 1 1 -10 0   15 f 103.387 3.6004  1297.19    90.318   1218.00    128.122  1375.43    127.340  100.023 5.2980  106.444 4.9304  -6.421478      7.237219 
1 1 1 -10 0   16 o 545.412 10.850  36200.49   1435.86  36254.58   2031.73  36146.51   2029.49  544.981 15.365  544.167 15.371  0.8140869      21.73304 
1 1 1 -10 0   17 o 330.559 6.9523  13274.59   557.622  13659.13   789.795  12892.37   787.403  335.096 9.7136  325.531 9.9687  9.564148       13.91871 
1 1 1 -10 0   18 o 126.879 3.8198  1953.93    117.595  1967.26    167.333  1940.93    165.296  127.282 5.4182  126.428 5.3883  0.8539352      7.641392 
1 1 1 -10 0   19 o 814.153 16.024  81147.07   3165.48  81037.58   4478.29  81256.41   4475.04  809.884 22.789  811.008 22.741  -1.123657      32.19453 
1 1 1 -10 0   20 o 415.771 8.3051  21032.48   837.842  20865.97   1186.47  21198.11   1183.31  413.513 11.825  416.816 11.700  -3.303558      16.63507 
1 1 1 -10 0   21 o 591.898 11.785  42796.50   1692.49  42253.77   2395.24  43337.70   2391.85  586.047 16.844  593.632 16.606  -7.585144      23.65322 
1 1 1 -10 0   22 o 524.641 10.533  33611.30   1340.86  33594.52   1898.05  33628.02   1894.48  522.786 14.963  523.063 14.927  -0.2768555     21.13542 
1 1 1 -10 0   23 o 117.787 5.2682  1686.38    150.564  1465.51    198.216  1987.64    231.498  109.441 7.5098  127.532 7.5143  -18.09019      10.62363 
1 1 1 -10 0   24 o 142.955 5.8787  2485.90    203.911  2932.64    272.387  1916.35    307.554  155.164 7.2349  124.768 10.250  30.39577       12.54590 
1 1 1 -10 0   25 o 205.018 6.8715  5119.16    341.831  4943.09    464.844  5326.48    504.421  201.104 9.5262  208.686 9.9618  -7.581329      13.78356 
1 1 1 -10 0   26 o 300.368 6.4262  10982.87   468.349  11266.03   664.215  10702.87   660.492  303.718 9.0131  295.990 9.1966  7.728699       12.87684 
1 1 1 -10 0   27 o 49.867  4.3340  304.422    51.919   324.531    74.455   285.390    72.434   51.284  6.1033  48.005  6.3764  3.278694       8.826582 
1 1 1 -10 0   28 o 39.287  4.8949  190.514    45.650   208.559    64.271   172.142    64.850   40.857  6.7165  36.924  7.4944  3.933475       10.06366 
1 1 1 -10 0   29 o 164.608 4.3644  3292.40    174.318  3326.55    248.730  3259.44    244.372  165.328 6.2004  163.656 6.1540  1.672241       8.735918 
1 1 1 -10 0   30 o 462.483 9.3772  26141.07   1052.28  26745.15   1490.86  25541.35   1485.46  466.130 13.181  455.388 13.444  10.74258       18.82768 
1 1 1 -10 0   31 o 240.684 7.6399  7063.70    446.169  8226.45    666.945  6121.82    600.265  259.130 10.607  223.442 11.072  35.68890       15.33294 
1 1 1 -10 0   32 o 219.290 7.3744  5863.23    392.384  6323.96    592.679  5503.69    523.556  227.107 10.755  211.983 10.179  15.12373       14.80830 
1 1 1 -10 0   33 f 183.176 6.6069  4088.30    293.648  4853.19    455.555  3544.56    384.093  199.133 9.4283  169.943 9.3507  29.18980       13.27886 
1 1 1 -10 0   34 o 40.231  5.2027  200.203    49.598   186.682    68.698   214.923    71.681   38.439  7.6347  41.348  7.4173  -2.908901      10.64447 
1 1 1 -10 0   35 o 97.166  3.9081  1147.60    92.138   1096.21    131.904  1196.56    128.759  94.687  5.7688  98.989  5.3810  -4.302139      7.888822 
1 1 1 -10 0   36 o 250.802 5.6451  7666.81    343.532  8135.63    488.946  7209.77    482.767  257.808 7.8163  242.587 8.2018  15.22124       11.32974 
1 1 1 -10 0   37 o 8.4531  4.1845  -74.3799   31.960   -122.1886  45.139   -26.3152   45.259   9.5131  4.7519  13.802  6.2571  -4.289304      7.857010 
1 1 1 -10 0   38 f 23.050  6.7257  66.263     39.947   77.100     57.229   55.966     55.785   25.371  8.1757  22.827  8.0692  2.543919       11.48716 
1 1 1 -10 0   39 o 35.299  5.4905  155.807    45.498   216.911    64.877   96.674     63.822   41.558  6.6588  27.954  8.5841  13.60317       10.86401 
1 1 1 -10 0   40 f 127.783 4.1253  1990.50    127.907  1963.12    182.821  2016.76    179.013  126.574 5.9528  128.335 5.7488  -1.760567      8.275502 
1 1 1 -10 0   41 o 158.668 4.4957  3074.08    173.080  3063.09    247.044  3084.67    242.562  157.847 6.4502  158.447 6.3092  -0.6000366     9.022797 
1 1 1 -10 0   42 o 13.170  5.7254  -5.5201    34.102   10.108     44.459   -27.8561   53.151   16.531  6.8271  15.074  6.8119  1.457640       9.644181 
1 1 1 -10 0   43 o 31.876  7.0914  130.441    53.433   211.589    62.834   -81.5228   101.551  40.940  6.5459  19.450  9.0194  21.48913       11.14444 
1 1 1 -10 0   44 o 80.546  5.1515  798.769    100.153  621.242    124.004  1131.83    169.850  70.423  7.3659  95.256  7.4069  -24.83261      10.44604 
1 1 1 -10 0   45 o 32.131  5.8133  130.823    43.654   144.482    61.342   116.807    62.138   33.442  7.7165  30.108  8.2577  3.334486       11.30194 
1 1 1 -10 0   46 o 133.113 7.0468  2204.15    226.793  2204.15    226.793  0.0000     0.0000   133.113 7.0468  ?       ?       0.000000       7.046830 
1 1 1 -10 0   47 o 59.060  6.9221  438.637    97.314   438.637    97.314   0.0000     0.0000   59.060  6.9221  ?       ?       0.000000       6.922101 
1 1 1 -10 0   48 o 69.504  5.6724  600.066    94.827   790.286    233.341  562.436    103.784  76.460  13.046  67.042  6.4599  9.417427       14.55743 
1 1 1 -10 0   49 o 12.420  5.9421  -68.1846   50.758   -175.9625  170.909  -57.7587   53.157   23.503  11.147  13.334  6.2922  10.16856       12.80070 
1 1 1 -10 0   50 o 42.746  5.9776  230.969    60.303   259.055    84.279   201.507    86.320   44.648  8.0768  38.933  9.2706  5.715561       12.29549 
1 1 1 -10 0   51 o 80.522  4.3793  799.798    85.241   814.299    122.149  786.032    119.011  80.552  6.2997  79.156  6.2472  1.396698       8.872099 
1 1 1 -10 0   52 o 60.876  6.0682  466.737    88.440   573.222    235.363  449.229    95.434   61.940  15.653  59.464  6.7330  2.476677       17.04000 
1 1 1 -10 0   53 o 25.692  6.2744  85.855     38.776   87.378     48.733   83.228     64.018   25.906  7.3902  25.898  8.6637  0.7425308E-02  11.38752 
1 1 1 -10 0   54 o 40.567  8.2745  217.731    78.689   0.0000     0.0000   217.731    78.689   ?       ?       40.567  8.2745  0.000000       8.274513 
1 1 1 -10 0   55 f 75.513  6.9665  725.188    126.205  0.0000     0.0000   725.188    126.205  ?       ?       75.513  6.9665  0.000000       6.966476 
1 1 1 -10 0   56 o 54.674  5.2408  374.103    68.674   362.279    91.852   389.089    103.412  53.038  7.3336  54.696  8.0313  -1.657642      10.87581 
1 1 1 -10 0   57 o 22.599  8.2748  55.527     59.272   72.392     65.571   -19.8218   138.594  24.798  8.7503  25.310  11.251  -0.5111160     14.25288 
1 1 1 -10 0   58 o 16.579  7.3095  -11.5684   57.345   -39.7623   62.530   137.579    143.820  15.677  7.2003  33.789  12.788  -18.11184      14.67562 
1 1 1 -10 1   1  o 464.168 9.3644  26187.95   1054.68  26007.30   1490.48  26369.12   1492.61  462.125 13.292  465.338 13.219  -3.213043      18.74681 
1 1 1 -10 1   2  o 804.089 15.542  78846.18   3032.37  79087.98   4287.44  78604.16   4289.40  803.252 21.998  800.762 22.076  2.490112       31.16536 
1 1 1 -10 1   3  o 440.654 8.8916  23597.30   950.697  23879.98   1343.66  23313.93   1345.31  442.921 12.503  437.620 12.670  5.300537       17.79982 
1 1 1 -10 1   4  o 311.659 6.6461  11795.11   502.587  12034.69   710.365  11554.99   711.167  314.666 9.3040  308.318 9.5062  6.347504       13.30159 
1 1 1 -10 1   5  f 303.248 6.4966  11166.60   478.019  11429.05   676.036  10904.17   676.005  306.659 9.0855  299.522 9.3016  7.137146       13.00256 
1 1 1 -10 1   6  o 448.125 12.911  24449.92   1403.84  23539.98   2006.27  25322.84   1965.04  438.828 18.842  455.330 17.786  -16.50146      25.91086 
1 1 1 -10 1   7  o 792.751 21.839  77022.81   4200.76  78698.84   5961.92  75370.34   5919.85  797.346 30.816  780.068 31.276  17.27747       43.90700 
1 1 1 -10 1   8  o 455.523 13.305  25269.80   1470.53  22860.39   2100.15  27587.37   2059.73  432.228 20.025  475.232 17.862  -43.00360      26.83412 
1 1 1 -10 1   9  o 753.098 21.206  69476.11   3874.94  66031.30   5500.83  72869.22   5459.40  730.185 31.048  767.919 29.300  -37.73370      42.69017 
1 1 1 -10 1   10 o 380.299 7.5895  17568.27   700.333  17872.13   990.190  17264.13   990.651  383.341 10.646  376.747 10.837  6.593719       15.19102 
1 1 1 -10 1   11 o 298.641 6.2935  10829.64   456.040  11032.87   644.748  10626.17   645.128  301.304 8.8190  295.688 8.9918  5.615601       12.59479 
1 1 1 -10 1   12 o 238.695 5.3068  6916.63    307.353  6703.83    434.423  7129.90    434.903  234.915 7.6215  242.274 7.3981  -7.359207      10.62163 
1 1 1 -10 1   13 o 152.075 4.2387  2806.91    156.406  3000.05    221.359  2614.35    221.025  157.191 5.8037  146.731 6.2081  10.46022       8.498417 
1 1 1 -10 1   14 o 135.557 3.9636  2230.18    130.370  2171.01    184.288  2289.46    184.453  133.720 5.6799  137.322 5.5358  -3.602066      7.931359 
1 1 1 -10 1   15 o 481.198 9.5803  28157.33   1118.58  27549.43   1582.37  28764.53   1581.46  475.397 13.718  485.818 13.416  -10.42102      19.18772 
1 1 1 -10 1   16 f 386.967 7.9226  18197.91   743.885  18357.45   1052.72  18038.79   1051.31  388.333 11.172  384.939 11.256  3.394989       15.85915 
1 1 1 -10 1   17 o 554.016 10.888  37367.98   1463.63  37322.02   2070.84  37413.85   2068.93  552.698 15.442  553.386 15.408  -0.6879272     21.81421 
1 1 1 -10 1   18 o 443.014 9.0892  23875.44   977.026  23900.02   1382.80  23850.92   1380.65  442.636 12.875  442.182 12.868  0.4536438      18.20322 
1 1 1 -10 1   19 o 181.478 4.4989  3998.71    198.107  3961.86    280.958  4035.15    279.379  180.567 6.4127  182.234 6.3183  -1.666763      9.002396 
1 1 1 -10 1   20 o 299.276 6.4854  10887.07   470.949  11028.68   667.386  10746.60   664.669  300.931 9.1400  297.047 9.2218  3.883575       12.98388 
1 1 1 -10 1   21 o 272.403 5.9166  9019.54    391.066  8964.31    554.372  9074.24    551.738  271.303 8.4214  272.973 8.3301  -1.669678      11.84523 
1 1 1 -10 1   22 o 372.452 7.7316  16894.00   698.724  17063.74   989.998  16725.52   986.303  373.610 10.921  369.871 10.990  3.739075       15.49327 
1 1 1 -10 1   23 o 43.255  6.3066  232.402    64.243   250.229    80.513   201.165    106.580  44.692  7.7028  39.886  10.763  4.805275       13.23561 
1 1 1 -10 1   24 o 222.385 7.2986  6025.56    393.831  6018.79    537.957  6033.39    578.132  221.848 9.9937  221.981 10.734  -0.1334381     14.66580 
1 1 1 -10 1   25 o 104.912 5.3237  1341.88    135.076  1394.03    177.047  1269.24    208.944  106.766 6.8707  101.622 8.5533  5.144257       10.97117 
1 1 1 -10 1   26 o 237.881 5.4775  6882.03    316.160  6922.37    449.086  6842.40    445.174  238.283 7.7673  236.906 7.7444  1.376892       10.96848 
1 1 1 -10 1   27 o 149.712 4.1542  2723.04    150.908  2771.72    214.623  2675.45    212.230  150.940 5.8602  148.293 5.8982  2.647003       8.314489 
1 1 1 -10 1   28 o 262.189 5.8235  8363.00    370.480  8386.00    525.881  8340.35    522.016  262.183 8.2665  261.475 8.2279  0.7077942      11.66331 
1 1 1 -10 1   29 o 164.859 4.4116  3302.63    176.472  3074.97    252.025  3521.63    247.184  158.922 6.5357  170.121 5.9882  -11.19923      8.864235 
1 1 1 -10 1   30 o 164.613 4.5574  3293.34    182.031  3194.24    259.682  3389.08    255.236  161.959 6.6080  166.854 6.3044  -4.894363      9.132970 
1 1 1 -10 1   31 o 148.532 6.2066  2685.75    223.684  2801.31    354.214  2609.11    288.483  151.013 9.7185  145.988 8.1769  5.024872       12.70085 
1 1 1 -10 1   32 o 56.745  6.9114  398.163    93.195   3.0376     175.514  553.310    109.980  31.141  13.254  67.038  6.8579  -35.89625      14.92278 
1 1 1 -10 1   33 o 178.923 6.8880  3903.07    299.036  3508.30    462.426  4186.80    392.038  168.554 11.373  185.037 8.7318  -16.48317      14.33863 
1 1 1 -10 1   34 o 56.643  4.3107  392.345    58.801   370.655    83.900   413.282    82.433   54.771  6.4359  57.946  5.9473  -3.174759      8.763068 
1 1 1 -10 1   35 o 112.729 4.0303  1545.10    110.241  1684.19    157.881  1412.77    153.999  117.580 5.5339  107.496 5.9271  10.08397       8.108915 
1 1 1 -10 1   36 o 178.672 4.7266  3886.85    204.911  3875.73    292.319  3897.60    287.322  178.083 6.7650  178.610 6.6298  -0.5274048     9.472047 
1 1 1 -10 1   37 o 131.072 4.1562  2091.14    132.181  2046.80    188.417  2134.10    185.482  129.445 5.9989  132.209 5.7820  -2.763992      8.331738 
1 1 1 -10 1   38 o 47.831  4.5520  281.345    52.193   282.083    75.017   280.652    72.663   47.528  6.6901  47.446  6.4812  0.8197021E-01  9.314659 
1 1 1 -10 1   39 o 67.420  4.0095  555.724    65.295   525.319    93.294   584.918    91.416   65.234  5.9599  68.945  5.5106  -3.710892      8.117112 
1 1 1 -10 1   40 o 39.913  4.9543  197.625    46.949   223.130    68.047   174.454    64.859   42.057  6.9081  36.968  7.4874  5.088898       10.18746 
1 1 1 -10 1   41 o 115.214 4.0837  1619.58    114.164  1648.12    163.019  1592.11    159.929  115.748 5.8231  113.761 5.8133  1.986496       8.228140 
1 1 1 -10 1   42 o 106.214 4.0289  1376.97    103.833  1388.54    148.073  1365.78    145.641  106.173 5.7694  105.310 5.7211  0.8631363      8.125098 
1 1 1 -10 1   43 o 45.856  6.1334  263.313    66.534   258.627    80.072   273.765    119.582  45.080  7.5900  45.558  10.953  -0.4779930     13.32553 
1 1 1 -10 1   44 o 74.936  5.2003  692.183    93.970   580.235    115.054  916.483    162.858  68.106  7.0651  85.453  7.9455  -17.34736      10.63235 
1 1 1 -10 1   45 o 53.102  4.8875  348.544    62.267   484.838    96.715   252.055    81.375   62.320  6.4911  44.373  7.8450  17.94724       10.18230 
1 1 1 -10 1   46 o 101.507 6.0528  1276.08    148.402  1276.08    148.402  0.0000     0.0000   101.507 6.0528  ?       ?       0.000000       6.052806 
1 1 1 -10 1   47 o 99.008  6.0103  1215.73    143.704  1215.73    143.704  0.0000     0.0000   99.008  6.0103  ?       ?       0.000000       6.010275 
1 1 1 -10 1   48 o 88.300  6.2367  971.508    132.763  1324.68    258.929  845.540    154.638  100.741 10.759  81.692  7.9000  19.04868       13.34803 
1 1 1 -10 1   49 o 23.646  8.2716  64.230     58.510   -169.5006  171.475  95.028     62.246   23.672  11.210  27.337  8.4912  -3.664225      14.06276 
1 1 1 -10 1   50 o 74.573  4.4075  686.081    79.398   745.018    114.969  632.343    109.782  77.113  6.1969  70.910  6.4511  6.202606       8.945303 
1 1 1 -10 1   51 o 59.866  4.6791  444.565    67.429   512.648    96.162   378.709    94.576   63.772  6.2968  54.335  7.3632  9.436977       9.688436 
1 1 1 -10 1   52 o 33.300  8.2905  147.293    66.727   258.336    195.581  132.665    70.986   42.910  15.115  31.586  8.8877  11.32397       17.53477 
1 1 1 -10 1   53 o 50.265  7.2774  325.757    86.176   0.0000     0.0000   325.757    86.176   ?       ?       50.265  7.2774  0.000000       7.277374 
1 1 1 -10 1   54 o 43.270  9.3874  251.935    95.725   0.0000     0.0000   251.935    95.725   ?       ?       43.270  9.3874  0.000000       9.387398 
1 1 1 -10 1   55 o 35.348  6.0574  160.185    50.084   196.986    59.775   73.473     91.754   39.138  6.5240  26.728  10.190  12.41006       12.09987 
1 1 1 -10 1   56 o 71.733  5.7992  645.853    100.074  609.417    116.060  751.463    197.593  69.137  7.0156  74.195  11.336  -5.057442      13.33089 
1 1 1 -10 1   57 o 35.471  8.4130  168.237    71.313   200.756    80.415   48.495     154.310  38.679  8.7704  29.536  12.492  9.143835       15.26352 
1 1 1 -10 1   58 o 27.364  7.5307  99.019     51.575   122.059    64.824   59.280     85.135   30.192  8.4924  24.931  9.7330  5.260691       12.91719 
1 1 1 -10 2   1  o 291.147 6.2878  10292.67   444.194  10559.59   627.327  10024.29   629.046  294.780 8.7707  287.197 9.0269  7.582825       12.58606 
1 1 1 -10 2   2  o 611.301 13.769  45520.36   2042.35  46461.43   2505.82  43658.17   3524.93  616.992 16.738  596.100 24.371  20.89160       29.56509 
1 1 1 -10 2   3  o 326.268 6.7743  12927.39   536.298  12953.00   757.554  12901.65   759.329  326.432 9.5644  325.782 9.6059  0.6504517      13.55546 
1 1 1 -10 2   4  o 456.179 9.0965  25291.38   1006.87  25314.72   1423.00  25267.96   1424.87  455.987 12.861  455.562 12.890  0.4249573      18.20925 
1 1 1 -10 2   5  o 324.022 6.7276  12749.78   528.931  12492.49   747.434  13007.88   748.609  320.574 9.6090  327.132 9.4312  -6.557861      13.46410 
1 1 1 -10 2   6  f 614.289 17.137  46068.78   2554.32  46247.64   3633.07  45893.94   3591.98  613.510 24.406  611.218 24.220  2.292175       34.38372 
1 1 1 -10 2   7  o 271.204 8.4941  8937.14    558.955  8338.92    810.924  9478.62    771.511  261.715 12.770  279.126 11.391  -17.41159      17.11241 
1 1 1 -10 2   8  o 111.325 5.2108  1504.43    140.752  1462.77    217.465  1534.46    184.645  109.414 8.2520  112.201 6.8146  -2.786377      10.70206 
1 1 1 -10 2   9  o 959.932 21.502  112918.40  5008.25  115955.00  8659.99  111392.40  6139.00  963.348 37.048  950.909 26.607  12.43884       45.61267 
1 1 1 -10 2   10 o 659.226 12.861  52915.54   2057.14  53055.50   2909.27  52775.59   2909.19  658.900 18.197  657.147 18.245  1.752991       25.76850 
1 1 1 -10 2   11 o 303.151 6.5394  11160.14   481.018  10746.40   680.212  11574.00   680.314  297.326 9.4286  308.584 9.0860  -11.25830      13.09404 
1 1 1 -10 2   12 o 535.885 10.769  34932.83   1400.28  34104.75   1980.14  35761.16   1980.45  528.755 15.434  541.511 15.073  -12.75629      21.57299 
1 1 1 -10 2   13 o 601.337 11.731  44013.86   1711.67  42473.23   2420.48  45554.98   2420.86  589.680 16.917  610.839 16.333  -21.15833      23.51517 
1 1 1 -10 2   14 o 442.591 8.9535  23812.47   961.522  23558.66   1359.74  24066.32   1359.85  439.777 12.743  444.509 12.608  -4.731873      17.92591 
1 1 1 -10 2   15 o 11.728  5.7507  -112.1095  55.716   -315.0193  112.020  -45.4152   64.223   14.796  7.4049  16.043  7.3420  -1.246711      10.42769 
1 1 1 -10 2   16 o 381.197 7.7902  17659.79   720.543  17192.60   1019.00  18126.99   1019.01  375.777 11.176  385.889 10.883  -10.11188      15.59932 
1 1 1 -10 2   17 o 279.973 6.0553  9520.69    411.352  9302.79    581.910  9738.33    581.568  276.582 8.6710  282.998 8.4694  -6.415771      12.12092 
1 1 1 -10 2   18 o 195.689 4.6868  4649.56    222.538  4662.46    315.077  4636.71    314.357  195.883 6.6291  195.341 6.6323  0.5419006      9.377256 
1 1 1 -10 2   19 o 265.582 6.0112  8570.43    387.371  8782.35    548.482  8359.52    547.171  268.647 8.4143  262.082 8.6044  6.564911       12.03480 
1 1 1 -10 2   20 o 150.249 4.1031  2741.11    149.586  2629.04    212.007  2852.21    211.089  147.076 5.9408  153.203 5.6785  -6.127060      8.218165 
1 1 1 -10 2   21 o 61.736  3.9135  464.678    58.320   520.894    82.561   408.692    82.392   65.260  5.2585  57.671  5.9746  7.589043       7.959114 
1 1 1 -10 2   22 o 142.796 5.6886  2479.36    197.100  2312.24    261.196  2700.38    300.376  137.537 7.8594  148.598 8.3648  -11.06105      11.47779 
1 1 1 -10 2   23 o 235.870 7.5869  6779.83    434.214  6682.25    593.803  6891.98    636.567  233.696 10.472  237.219 11.059  -3.523605      15.23060 
1 1 1 -10 2   24 o 67.904  5.2730  564.052    86.199   534.099    109.701  612.393    139.362  65.854  6.9714  70.364  8.3239  -4.509880      10.85756 
1 1 1 -10 2   25 f 298.214 6.4783  10826.57   468.761  10713.15   664.545  10938.89   661.324  296.119 9.2490  299.254 9.1077  -3.135284      12.98056 
1 1 1 -10 2   26 o 57.016  4.0599  396.909    55.800   502.265    79.146   292.788    78.681   64.069  5.1343  48.557  6.8698  15.51207       8.576404 
1 1 1 -10 2   27 o 74.414  3.8139  674.369    68.632   729.841    98.317   621.642    95.852   77.296  5.2736  71.274  5.5873  6.021591       7.682999 
1 1 1 -10 2   28 o 116.113 3.9742  1637.79    111.967  1674.74    160.040  1602.36    156.702  117.339 5.6211  114.775 5.6268  2.563728       7.953497 
1 1 1 -10 2   29 o 205.623 4.8982  5139.92    244.385  5520.37    348.301  4771.00    342.984  212.904 6.7423  197.881 7.1434  15.02368       9.822772 
1 1 1 -10 2   30 o 39.820  7.9326  200.214    73.954   256.082    143.161  179.879    86.370   44.999  12.608  37.631  9.4674  7.367649       15.76650 
1 1 1 -10 2   31 o 158.341 6.2688  3052.81    240.849  3532.20    379.448  2729.35    311.687  169.713 9.2494  149.229 8.6450  20.48332       12.66048 
1 1 1 -10 2   32 o 280.586 8.7407  9624.27    595.084  10276.99   880.373  9075.14    807.493  288.781 12.564  271.471 12.259  17.30939       17.55390 
1 1 1 -10 2   33 o 136.042 4.1618  2249.61    137.378  2387.16    196.931  2119.22    191.737  140.013 5.7967  131.905 5.9907  8.108032       8.336116 
1 1 1 -10 2   34 o 77.476  3.9601  731.561    74.197   751.669    107.082  712.991    102.904  78.352  5.6708  76.308  5.5967  2.043930       7.967519 
1 1 1 -10 2   35 o 217.293 5.2367  5751.58    276.101  5951.40    393.348  5557.52    387.646  220.603 7.3486  213.143 7.4955  7.459274       10.49683 
1 1 1 -10 2   36 o 66.764  4.0610  544.342    65.475   560.179    95.238   530.147    90.162   67.495  5.8739  65.671  5.7153  1.823868       8.195579 
1 1 1 -10 2   37 o 66.138  4.0362  534.468    64.462   563.526    91.833   506.242    90.507   67.698  5.6419  64.101  5.8848  3.597580       8.152484 
1 1 1 -10 2   38 o 104.739 3.9859  1336.11    101.297  1413.62    145.118  1262.46    141.462  107.390 5.5885  101.434 5.7715  5.955757       8.033815 
1 1 1 -10 2   39 o 81.024  3.9067  799.930    76.804   775.004    109.967  823.669    107.317  79.350  5.7506  81.877  5.4327  -2.527267      7.910936 
1 1 1 -10 2   40 o 158.288 4.5275  3059.83    173.890  3132.97    248.489  2989.65    243.424  159.639 6.4151  155.939 6.4334  3.700134       9.085289 
1 1 1 -10 2   41 o 75.007  4.0043  688.408    72.615   755.834    103.184  622.252    102.208  78.327  5.4634  70.917  5.9960  7.410294       8.111752 
1 1 1 -10 2   42 o 116.342 5.5489  1661.84    156.641  1678.52    199.035  1634.70    253.895  116.288 7.0878  113.848 9.2716  2.439804       11.67042 
1 1 1 -10 2   43 o 72.477  5.4383  648.540    94.940   699.523    116.884  549.677    162.765  75.021  6.4848  65.069  10.680  9.952469       12.49441 
1 1 1 -10 2   44 o 33.559  5.5697  141.995    43.762   148.638    60.500   134.705    63.377   33.951  7.5404  32.251  8.1078  1.700142       11.07221 
1 1 1 -10 2   45 f 72.212  6.5644  650.127    113.762  650.127    113.762  0.0000     0.0000   72.212  6.5644  ?       ?       0.000000       6.564424 
1 1 1 -10 2   46 o 21.062  8.7270  18.025     72.999   18.025     72.999   0.0000     0.0000   21.062  8.7270  ?       ?       0.000000       8.727036 
1 1 1 -10 2   47 o 56.383  4.9208  393.652    66.646   493.299    94.747   296.059    93.765   62.791  6.3039  47.864  8.3789  14.92693       10.48548 
1 1 1 -10 2   48 o 17.845  7.5739  4.2962     57.039   199.003    167.853  -21.1224   60.648   39.554  13.996  16.614  7.4100  22.94010       15.83615 
1 1 1 -10 2   49 o 36.205  8.2808  172.401    71.166   -36.9291   186.534  208.061    76.990   28.936  12.944  39.858  8.2332  -10.92217      15.34055 
1 1 1 -10 2   50 o 49.973  5.0943  311.710    60.907   224.356    87.890   392.423    84.483   41.072  9.0622  55.728  6.3619  -14.65597      11.07238 
1 1 1 -10 2   51 o 38.170  6.2063  186.352    55.505   280.884    83.936   112.889    73.993   46.505  7.7084  29.488  9.2741  17.01763       12.05934 
1 1 1 -10 2   52 o 37.659  5.3285  179.322    47.330   178.787    61.258   180.115    74.555   37.075  7.0675  36.763  8.5238  0.3116417      11.07273 
1 1 1 -10 2   53 o 27.503  8.9512  96.458     68.493   0.0000     0.0000   96.458     68.493   ?       ?       27.503  8.9512  0.000000       8.951175 
1 1 1 -10 2   54 f 75.880  4.4583  712.538    81.724   658.677    107.709  785.615    125.461  72.284  6.2012  78.782  6.6247  -6.498474      9.074180 
1 1 1 -10 2   55 o 57.962  4.7516  417.913    66.239   320.821    83.949   578.084    107.823  49.934  7.1312  67.489  6.6717  -17.55505      9.765565 
1 1 1 -10 2   56 o 23.613  7.5687  70.164     49.097   71.680     52.132   58.277     146.023  23.946  7.8100  29.522  12.297  -5.576107      14.56738 
1 1 1 -10 2   57 o 44.555  7.3904  258.833    77.097   258.346    85.816   260.868    175.545  44.127  8.3200  42.360  14.346  1.767216       16.58377 
1 1 1 -10 3   1  o 555.170 11.058  37491.19   1489.53  38273.50   2105.10  36706.79   2107.92  560.225 15.486  548.574 15.836  11.65070       22.14982 
1 1 1 -10 3   2  f 316.195 6.4477  12140.40   494.682  12758.26   698.945  11520.25   700.230  324.011 8.8904  307.860 9.3740  16.15060       12.91934 
1 1 1 -10 3   3  o 482.193 9.6316  28264.49   1126.89  28239.38   1593.08  28289.65   1594.25  481.498 13.636  481.926 13.634  -0.4287109     19.28240 
1 1 1 -10 3   4  o 476.330 13.394  27632.63   1548.09  28555.45   2208.24  26740.74   2170.91  483.312 18.830  467.646 19.132  15.66653       26.84416 
1 1 1 -10 3   5  o 334.549 9.6371  13605.68   782.292  15183.96   1125.07  12128.34   1088.49  353.119 13.131  315.494 14.219  37.62531       19.35463 
1 1 1 -10 3   6  o 544.462 15.303  36145.88   2021.60  36105.89   2878.68  36184.80   2839.67  542.743 21.859  543.417 21.536  -0.6741943     30.68608 
1 1 1 -10 3   7  o 61.230  5.2054  458.400    76.603   202.141    123.269  619.619    97.773   40.413  11.821  71.212  5.7065  -30.79855      13.12647 
1 1 1 -10 3   8  o 266.706 8.3788  8642.99    542.222  8135.83    787.636  9099.86    747.566  258.516 12.557  273.495 11.265  -14.97897      16.86927 
1 1 1 -10 3   9  f 226.064 5.1991  6203.75    285.182  5998.97    403.461  6408.22    403.156  222.230 7.4823  229.695 7.2336  -7.464432      10.40721 
1 1 1 -10 3   10 o 394.865 7.8778  18942.36   754.772  19342.88   1067.77  18542.39   1067.04  398.751 11.036  390.391 11.265  8.360413       15.76981 
1 1 1 -10 3   11 o 168.830 4.4190  3459.63    181.024  3736.37    256.173  3183.60    255.840  175.419 6.0185  161.913 6.5121  13.50645       8.867397 
1 1 1 -10 3   12 o 299.678 6.4744  10906.20   470.778  11012.66   665.941  10799.84   665.622  300.991 9.1184  298.062 9.2036  2.927979       12.95573 
1 1 1 -10 3   13 o 229.945 5.1674  6419.00    288.311  6193.95    407.619  6644.30    407.849  225.798 7.4399  233.874 7.1871  -8.075272      10.34442 
1 1 1 -10 3   14 o 195.503 4.8593  4639.89    230.512  4641.09    326.009  4638.69    325.978  195.469 6.8737  195.418 6.8748  0.5068970E-01  9.721639 
1 1 1 -10 3   15 o 32.948  5.5375  135.418    42.699   96.165     60.629   174.046    60.144   27.966  8.3198  37.258  6.9072  -9.291805      10.81333 
1 1 1 -10 3   16 o 288.790 6.1860  10129.99   433.468  10173.86   613.035  10086.12   612.997  289.247 8.7348  287.994 8.7722  1.252777       12.37937 
1 1 1 -10 3   17 f 357.836 7.4168  15564.09   643.969  15115.42   910.672  16012.84   910.747  352.287 10.654  362.633 10.351  -10.34662      14.85385 
1 1 1 -10 3   18 f 324.073 6.9406  12766.16   545.761  12422.04   771.928  13110.08   771.716  319.348 9.9620  328.108 9.6934  -8.759583      13.89981 
1 1 1 -10 3   19 o 149.392 4.1742  2709.89    151.310  2541.44    214.577  2876.49    213.397  144.606 6.1155  153.860 5.7161  -9.254440      8.370979 
1 1 1 -10 3   20 o 222.796 5.2173  6031.40    282.045  6109.77    399.419  5953.46    398.326  224.069 7.3465  221.177 7.4222  2.891830       10.44323 
1 1 1 -10 3   21 o 257.336 8.2079  8069.84    512.503  8465.57    703.465  7622.21    748.178  263.102 11.019  249.395 12.364  13.70636       16.56167 
1 1 1 -10 3   22 o 314.171 9.6242  12057.97   733.657  12732.60   1015.92  11322.68   1060.62  321.923 13.006  303.141 14.419  18.78165       19.41850 
1 1 1 -10 3   23 o 147.403 5.8361  2643.33    208.736  2615.51    276.691  2680.08    317.995  146.258 7.8251  147.891 8.9032  -1.632095      11.85317 
1 1 1 -10 3   24 o 67.875  5.3604  563.738    87.564   652.334    111.119  418.591    142.229  72.932  6.3424  57.588  10.568  15.34387       12.32516 
1 1 1 -10 3   25 o 324.013 6.8604  12785.87   539.357  12794.92   764.310  12776.90   761.231  323.498 9.7372  323.278 9.7046  0.2196655      13.74742 
1 1 1 -10 3   26 o 57.923  4.0140  409.515    56.067   350.948    80.205   465.485    78.406   53.327  6.3216  61.646  5.2931  -8.318771      8.245026 
1 1 1 -10 3   27 o 156.264 4.2360  2966.83    160.613  2995.21    229.302  2939.49    225.039  156.892 6.0234  155.430 5.9670  1.461884       8.478629 
1 1 1 -10 3   28 o 144.000 4.2135  2519.43    147.222  2451.82    210.798  2583.82    205.703  141.937 6.1208  145.730 5.8174  -3.792862      8.444272 
1 1 1 -10 3   29 o 74.989  4.0297  685.162    73.053   674.433    106.165  694.811    100.678  74.210  5.9459  75.375  5.5437  -1.165192      8.129400 
1 1 1 -10 3   30 o 140.472 5.9949  2401.73    204.332  2800.36    328.977  2151.35    260.721  151.110 9.0134  132.521 8.1477  18.58940       12.15019 
1 1 1 -10 3   31 o 221.801 7.5425  6001.28    405.920  6142.48    612.586  5890.75    541.990  223.348 11.341  219.254 10.188  4.094406       15.24491 
1 1 1 -10 3   32 o 91.573  7.1858  1029.10    158.382  0.0000     0.0000   1029.10    158.382  ?       ?       91.573  7.1858  0.000000       7.185791 
1 1 1 -10 3   33 o 68.595  4.0148  573.891    66.530   595.008    96.194   554.526    92.115   69.661  5.7422  67.239  5.6997  2.422089       8.090678 
1 1 1 -10 3   34 o 175.020 4.7294  3727.74    200.842  3832.95    287.019  3626.80    281.139  177.203 6.6754  172.364 6.7222  4.838547       9.473560 
1 1 1 -10 3   35 o 82.159  3.9767  821.051    79.276   769.790    114.236  868.672    110.105  79.201  5.9886  84.243  5.4152  -5.042122      8.073911 
1 1 1 -10 3   36 o 54.233  4.2953  360.334    56.060   297.980    79.795   421.105    78.776   48.860  6.9244  58.470  5.6219  -9.610195      8.919277 
1 1 1 -10 3   37 f 82.671  3.9164  832.096    78.560   840.422    113.280  824.380    109.043  82.733  5.6774  81.964  5.5150  0.7691498      7.915057 
1 1 1 -10 3   38 o 24.455  6.4836  75.971     39.096   98.126     55.836   54.662     54.761   27.846  7.8991  22.546  7.9921  5.299952       11.23698 
1 1 1 -10 3   39 o 160.555 4.5500  3147.32    177.255  3153.59    252.459  3141.23    248.931  160.189 6.4952  159.900 6.4160  0.2892609      9.129776 
1 1 1 -10 3   40 o 39.486  5.0318  193.809    47.114   119.875    65.863   271.285    67.423   30.601  8.5437  46.606  6.1092  -16.00533      10.50318 
1 1 1 -10 3   41 o 119.057 4.1271  1730.74    119.225  1820.52    170.421  1644.68    166.854  121.734 5.7696  115.507 5.9739  6.227432       8.305165 
1 1 1 -10 3   42 o 41.423  6.5910  216.767    64.026   215.598    76.529   219.494    116.882  40.972  7.9850  40.839  11.374  0.1328163      13.89710 
1 1 1 -10 3   43 o 120.172 5.7335  1776.42    167.181  1919.29    212.860  1546.40    270.090  124.273 7.0885  110.077 10.229  14.19574       12.44528 
1 1 1 -10 3   44 o 56.078  7.4403  397.230    98.739   397.230    98.739   0.0000     0.0000   56.078  7.4403  ?       ?       0.000000       7.440275 
1 1 1 -10 3   45 o 70.849  6.5701  626.593    111.661  626.593    111.661  0.0000     0.0000   70.849  6.5701  ?       ?       0.000000       6.570099 
1 1 1 -10 3   46 o 56.138  4.8882  389.961    65.920   458.126    94.828   326.219    91.699   60.436  6.5726  50.544  7.7221  9.891403       10.14051 
1 1 1 -10 3   47 o 70.625  6.5408  625.072    110.813  704.652    226.784  600.112    127.008  71.614  13.547  68.751  7.7487  2.863777       15.60684 
1 1 1 -10 3   48 o 38.757  8.3643  197.033    76.351   32.044     187.693  229.748    83.579   31.727  13.609  41.873  8.5161  -10.14617      16.05400 
1 1 1 -10 3   49 o 89.629  4.3852  987.816    95.368   974.886    135.842  1000.38    133.921  88.170  6.3931  89.401  6.2122  -1.231247      8.914203 
1 1 1 -10 3   50 o 45.454  5.5599  260.111    60.042   295.989    89.915   231.238    80.662   47.658  8.0631  41.950  8.2184  5.707970       11.51328 
1 1 1 -10 3   51 o 17.385  7.4496  1.3941     56.138   280.140    193.957  -24.0919   58.648   44.184  15.079  16.023  7.2059  28.16065       16.71202 
1 1 1 -10 3   52 o 46.842  7.8577  286.408    86.146   0.0000     0.0000   286.408    86.146   ?       ?       46.842  7.8577  0.000000       7.857725 
1 1 1 -10 3   53 o 54.773  4.9480  374.355    65.050   293.440    82.633   506.213    105.485  47.607  7.3934  62.950  7.0260  -15.34307      10.19936 
1 1 1 -10 3   54 o 15.610  6.4861  9.0282     40.484   33.521     46.272   -70.9222   83.601   18.986  7.2371  17.259  8.0636  1.727440       10.83499 
1 1 1 -10 3   55 o 12.805  5.7818  -18.5949   38.200   -10.3788   39.435   -143.6884  153.874  13.683  6.0457  22.455  10.629  -8.771996      12.22832 
1 1 1 -10 3   56 o 24.919  7.5811  80.183     49.928   89.735     52.459   -11.6913   162.691  26.214  7.7241  27.511  12.211  -1.296839      14.44910 
1 1 1 -10 3   57 o 21.120  7.0373  54.600     42.244   35.291     48.175   118.850    87.877   19.315  7.3791  30.184  10.150  -10.86957      12.54916 
1 1 1 -10 4   1  o 607.917 12.082  44977.67   1782.23  44290.95   2518.49  45666.54   2522.42  602.276 17.234  611.610 16.997  -9.334595      24.20556 
1 1 1 -10 4   2  o 341.773 7.1446  14186.98   592.492  14099.62   836.718  14274.84   839.109  340.530 10.127  342.642 10.093  -2.111877      14.29728 
1 1 1 -10 4   3  f 553.836 15.544  37407.81   2088.91  37423.32   2973.23  37392.70   2935.46  552.463 22.180  552.309 21.904  0.1541748      31.17290 
1 1 1 -10 4   4  o 347.499 10.261  14683.54   865.203  14414.90   1242.71  14936.25   1205.31  343.872 14.894  350.113 14.188  -6.240845      20.57018 
1 1 1 -10 4   5  o 603.745 17.056  44501.78   2498.62  42674.88   3552.82  46289.66   3514.66  589.148 24.853  613.995 23.591  -24.84729      34.26725 
1 1 1 -10 4   6  o 615.626 17.287  46279.56   2582.31  45295.25   3671.20  47243.48   3632.99  606.927 24.929  620.098 24.146  -13.17157      34.70559 
1 1 1 -10 4   7  o 675.667 18.917  55820.88   3101.39  54627.94   4406.06  56992.37   4366.27  665.613 27.281  680.191 26.456  -14.57806      38.00211 
1 1 1 -10 4   8  o 128.031 3.8520  1989.32    119.663  1963.23    169.024  2015.54    169.436  127.167 5.4778  128.851 5.4194  -1.684059      7.705644 
1 1 1 -10 4   9  o 333.034 7.0282  13470.76   567.930  13304.02   803.179  13637.49   803.171  330.778 10.007  334.907 9.8837  -4.129028      14.06526 
1 1 1 -10 4   10 o 304.973 6.4605  11294.66   478.071  11836.75   676.398  10753.55   675.792  312.070 8.9328  297.421 9.3643  14.64838       12.94160 
1 1 1 -10 4   11 o 342.324 7.1195  14234.04   591.362  13770.22   836.624  14697.16   835.999  336.485 10.247  347.654 9.9105  -11.16861      14.25555 
1 1 1 -10 4   12 o 183.065 4.6939  4067.99    208.497  4092.46    293.439  4043.05    296.302  183.567 6.5881  182.452 6.6930  1.114685       9.391443 
1 1 1 -10 4   13 o 413.812 8.3933  20812.65   842.749  20307.69   1191.62  21317.95   1192.03  408.372 12.026  418.443 11.741  -10.07086      16.80663 
1 1 1 -10 4   14 o 297.613 6.5194  10758.37   470.783  11616.00   666.246  9903.09    665.331  309.094 8.8834  285.343 9.6096  23.75085       13.08665 
1 1 1 -10 4   15 o 562.872 11.266  38583.45   1538.62  39162.87   2176.20  38004.30   2175.67  566.036 15.845  557.537 16.083  8.498291       22.57678 
1 1 1 -10 4   16 o 362.232 7.5599  15948.92   664.456  16433.19   939.901  15465.10   939.464  367.361 10.544  356.335 10.866  11.02551       15.14099 
1 1 1 -10 4   17 o 234.703 5.3246  6690.31    303.231  6611.98    428.672  6768.76    428.994  233.195 7.5760  235.949 7.4932  -2.754028      10.65575 
1 1 1 -10 4   18 o 227.814 5.3639  6304.68    296.499  6579.30    419.451  6030.43    419.175  232.582 7.4326  222.645 7.7592  9.937866       10.74473 
1 1 1 -10 4   19 o 508.489 10.207  31544.82   1259.28  31348.18   1781.01  31741.42   1780.77  505.458 14.522  508.655 14.428  -3.196960      20.47098 
1 1 1 -10 4   20 o 340.041 7.1275  14073.14   588.073  13822.63   831.834  14323.44   831.486  336.439 10.190  342.519 10.005  -6.080780      14.28032 
1 1 1 -10 4   21 o 343.187 10.380  14400.43   864.388  15195.59   1198.73  13539.14   1247.59  351.400 14.059  331.182 15.525  20.21832       20.94501 
1 1 1 -10 4   22 o 179.733 6.4999  3932.40    283.465  4072.72    380.361  3757.12    425.122  182.683 8.5809  174.990 10.055  7.693298       13.21843 
1 1 1 -10 4   23 o 328.239 9.7295  13174.60   774.896  12626.49   1072.34  13773.60   1121.01  320.066 13.808  334.284 13.821  -14.21799      19.53643 
1 1 1 -10 4   24 o 270.151 5.9649  8880.19    390.996  8667.61    553.984  9091.20    551.927  266.482 8.5677  272.960 8.3333  -6.478394      11.95199 
1 1 1 -10 4   25 o 276.608 6.0618  9310.39    406.847  9425.08    576.711  9196.77    574.035  277.893 8.5530  274.494 8.6187  3.398987       12.14227 
1 1 1 -10 4   26 o 148.089 4.2201  2664.49    151.638  2664.90    215.220  2664.08    213.686  147.990 5.9936  147.971 5.9516  0.1948547E-01  8.446579 
1 1 1 -10 4   27 o 141.932 4.9024  2448.85    168.832  2272.50    203.314  2840.58    303.016  136.648 6.1320  152.368 8.2266  -15.71942      10.26052 
1 1 1 -10 4   28 o 323.260 6.8534  12728.72   537.552  12931.32   762.220  12528.24   758.224  325.180 9.6603  320.044 9.7639  5.135468       13.73520 
1 1 1 -10 4   29 o 231.070 7.8168  6513.01    438.263  6243.84    655.485  6730.62    589.369  225.098 12.045  234.417 10.362  -9.318893      15.88856 
1 1 1 -10 4   30 o 131.438 6.0220  2103.10    192.055  1961.30    312.207  2189.42    243.598  126.110 10.293  133.770 7.5357  -7.660004      12.75654 
1 1 1 -10 4   31 o 131.950 6.0828  2120.29    194.751  1979.91    316.355  2205.96    247.131  126.640 10.387  134.233 7.6190  -7.593208      12.88153 
1 1 1 -10 4   32 o 125.258 4.1042  1907.10    124.736  1906.59    178.613  1907.59    174.275  125.115 5.8835  125.160 5.7386  -0.4475403E-01 8.218738 
1 1 1 -10 4   33 o 73.460  3.9974  657.975    70.983   700.005    102.656  619.469    98.257   75.597  5.6371  71.075  5.7467  4.521500       8.049885 
1 1 1 -10 4   34 o 100.885 3.9608  1237.76    96.955   1134.35    139.546  1334.25    134.808  96.245  6.0055  104.507 5.3340  -8.262215      8.032290 
1 1 1 -10 4   35 o 55.870  4.2007  382.047    56.530   327.357    81.598   432.519    78.389   51.308  6.7156  59.292  5.5118  -7.984509      8.687872 
1 1 1 -10 4   36 o 27.125  6.2281  93.579     40.125   49.971     57.924   133.809    55.636   22.376  8.1822  32.399  7.2574  -10.02257      10.93700 
1 1 1 -10 4   37 o 97.718  3.9898  1163.15    94.600   1241.21    136.241  1090.47    131.456  100.594 5.6040  94.235  5.7770  6.359001       8.048523 
1 1 1 -10 4   38 o 73.006  3.9743  651.523    70.138   703.727    100.717  602.369    97.730   75.627  5.5269  69.883  5.8164  5.743591       8.023494 
1 1 1 -10 4   39 o 105.258 4.0684  1351.53    103.908  1337.07    147.146  1365.90    146.751  104.235 5.8415  105.376 5.7613  -1.141487      8.204638 
1 1 1 -10 4   40 o 61.801  4.3489  468.836    64.799   424.787    89.678   516.960    93.734   58.393  6.4364  64.572  6.0532  -6.179718      8.835597 
1 1 1 -10 4   41 o 58.137  5.7091  419.172    79.496   428.071    96.581   400.477    139.987  58.458  6.9449  55.340  10.813  3.117756       12.85113 
1 1 1 -10 4   42 o 69.429  5.4444  595.542    90.983   638.403    110.607  505.855    159.997  71.651  6.4305  62.226  10.999  9.424458       12.74098 
1 1 1 -10 4   43 o 15.728  6.6995  0.7566     44.915   0.7566     44.915   0.0000     0.0000   15.728  6.6995  ?       ?       0.000000       6.699523 
1 1 1 -10 4   44 o 96.045  6.1107  1143.04    141.665  1143.04    141.665  0.0000     0.0000   96.045  6.1107  ?       ?       0.000000       6.110651 
1 1 1 -10 4   45 o 41.917  6.0353  221.287    59.615   306.517    85.634   141.139    83.041   49.079  7.4228  32.985  9.7179  16.09377       12.22851 
1 1 1 -10 4   46 o 108.772 4.3699  1450.76    115.332  1440.91    163.121  1460.61    163.089  107.630 6.2734  108.384 6.2276  -0.7546692     8.839602 
1 1 1 -10 4   47 o 27.737  8.6880  97.601     65.011   156.084    178.568  88.665     69.802   37.313  14.218  26.971  9.0465  10.34233       16.85241 
1 1 1 -10 4   48 o 9.4195  4.6943  -109.8605  42.977   -186.1703  155.761  -103.5724  44.712   21.727  10.399  9.9388  4.9251  11.78841       11.50630 
1 1 1 -10 4   49 o 62.166  4.7853  479.503    71.627   467.892    102.901  490.417    99.762   60.597  7.1352  62.221  6.7143  -1.623795      9.797629 
1 1 1 -10 4   50 o 45.203  7.5347  265.120    79.732   170.889    219.172  279.492    85.597   38.887  15.481  46.296  7.9036  -7.409435      17.38198 
1 1 1 -10 4   51 o 82.152  6.2999  850.564    124.621  0.0000     0.0000   850.564    124.621  ?       ?       82.152  6.2999  0.000000       6.299852 
1 1 1 -10 4   52 o 14.469  6.6275  -33.0273   52.487   0.0000     0.0000   -33.0273   52.487   ?       ?       14.469  6.6275  0.000000       6.627542 
1 1 1 -10 4   53 o 14.543  6.0945  5.7518     36.183   23.174     40.562   -62.1136   80.057   17.103  6.7068  17.156  7.9736  -0.5367851E-01 10.41920 
1 1 1 -10 4   54 o 61.215  4.7797  466.060    70.431   472.153    89.771   456.304    113.590  61.140  6.1340  59.242  8.1156  1.898052       10.17293 
1 1 1 -10 4   55 o 13.280  5.9159  -13.1567   38.532   -0.8113    40.018   -170.2561  142.753  14.594  6.2725  20.652  9.9032  -6.058780      11.72251 
1 1 1 -10 4   56 o 12.779  5.9095  -32.8594   43.159   -55.8354   44.854   254.036    158.497  11.834  5.6407  41.845  13.616  -30.01078      14.73861 
1 1 1 -10 5   1  o 103.575 3.6066  1301.86    90.638   1156.01    126.991  1453.31    129.407  97.434  5.3925  109.421 4.8741  -11.98643      7.268845 
1 1 1 -10 5   2  o 799.227 22.307  78338.98   4325.80  76236.80   6134.73  80417.87   6100.62  783.838 32.256  805.618 31.209  -21.77979      44.88241 
1 1 1 -10 5   3  f 791.352 22.231  76797.50   4268.67  73070.76   6055.51  80478.57   6018.29  767.243 32.528  806.156 30.767  -38.91382      44.77369 
1 1 1 -10 5   4  o 89.998  5.0342  986.263    109.492  719.593    170.422  1173.71    142.882  76.369  9.3951  98.135  6.0297  -21.76565      11.16357 
1 1 1 -10 5   5  o 336.814 10.052  13793.65   821.532  13224.93   1181.21  14326.50   1143.36  329.373 14.780  342.928 13.741  -13.55466      20.18073 
1 1 1 -10 5   6  o 353.750 8.4556  15205.96   725.776  15168.02   893.319  15279.62   1244.83  353.163 10.425  354.064 14.490  -0.9008484     17.85027 
1 1 1 -10 5   7  o 163.373 4.3480  3239.50    172.360  3012.04    243.207  3469.03    244.305  157.495 6.3642  169.030 5.9567  -11.53537      8.716959 
1 1 1 -10 5   8  o 868.871 16.956  92186.16   3574.70  91199.03   5054.77  93173.73   5056.00  861.326 24.186  870.721 23.931  -9.394592      34.02468 
1 1 1 -10 5   9  o 292.215 6.2596  10368.89   443.829  10245.99   627.343  10492.04   627.995  290.344 8.9049  293.815 8.8088  -3.471283      12.52569 
1 1 1 -10 5   10 o 592.834 11.844  42780.26   1703.77  43403.04   2409.32  42157.30   2409.66  596.167 16.656  587.492 16.904  8.675476       23.73092 
1 1 1 -10 5   11 o 610.615 12.158  45398.98   1801.35  44987.53   2547.65  45810.34   2547.35  606.715 17.306  612.279 17.146  -5.564209      24.36167 
1 1 1 -10 5   12 o 445.195 8.9220  24094.85   963.777  24035.11   1362.89  24154.61   1363.08  444.185 12.645  445.292 12.616  -1.107117      17.86235 
1 1 1 -10 5   13 o 457.109 9.0850  25407.09   1007.65  25735.30   1425.17  25078.99   1424.89  459.545 12.781  453.621 12.946  5.923828       18.19205 
1 1 1 -10 5   14 o 307.359 6.5049  11475.45   485.124  11316.69   685.641  11634.60   686.499  305.029 9.2638  309.294 9.1475  -4.264557      13.01908 
1 1 1 -10 5   15 o 113.036 3.8913  1550.89    106.728  1552.77    148.381  1548.87    153.626  113.078 5.4080  112.932 5.6064  0.1460953      7.789618 
1 1 1 -10 5   16 o 189.266 4.6718  4349.46    214.548  4350.33    303.580  4348.59    303.254  189.208 6.6125  189.170 6.6068  0.3767395E-01  9.347478 
1 1 1 -10 5   17 o 302.612 6.5941  11131.17   484.176  11195.46   684.904  11066.94   684.553  303.196 9.3098  301.445 9.3591  1.751526       13.20099 
1 1 1 -10 5   18 o 277.191 6.1526  9339.98    413.810  9409.04    585.575  9271.09    584.856  277.943 8.6829  275.891 8.7367  2.051819       12.31754 
1 1 1 -10 5   19 o 48.158  4.3357  283.968    50.120   307.267    71.952   262.008    69.854   49.904  6.0669  45.970  6.4393  3.934704       8.847180 
1 1 1 -10 5   20 o 136.602 5.7523  2269.14    190.661  2431.50    251.553  2049.95    292.279  141.109 7.3726  129.254 9.3834  11.85515       11.93327 
1 1 1 -10 5   21 o 214.345 7.2047  5596.66    374.710  5672.54    507.594  5505.78    555.478  215.436 9.7103  211.783 10.846  3.652405       14.55772 
1 1 1 -10 5   22 o 162.216 6.1009  3202.37    240.133  3120.98    319.655  3307.80    363.815  159.723 8.2764  164.296 9.1627  -4.572159      12.34721 
1 1 1 -10 5   23 o 21.794  6.6166  58.067     38.061   106.615    54.211   10.873     53.449   29.047  7.6030  18.124  7.4851  10.92308       10.66923 
1 1 1 -10 5   24 o 321.662 6.9351  12602.44   541.270  12585.34   766.285  12619.47   764.661  320.801 9.8444  321.244 9.8100  -0.4435730     13.89783 
1 1 1 -10 5   25 o 211.718 5.1373  5449.97    263.913  5430.56    373.741  5469.27    372.720  211.108 7.2963  211.865 7.2504  -0.7568817     10.28608 
1 1 1 -10 5   26 o 41.819  5.2412  215.973    52.015   219.008    70.364   212.316    77.236   41.813  7.1950  41.022  8.0471  0.7911644      10.79461 
1 1 1 -10 5   27 o 164.765 4.4812  3299.20    179.152  3249.96    253.721  3348.16    253.000  163.386 6.4000  165.846 6.2871  -2.460190      8.971477 
1 1 1 -10 5   28 o 226.384 7.6379  6249.71    419.548  6315.78    627.013  6196.15    564.551  226.577 11.442  224.931 10.344  1.645721       15.42465 
1 1 1 -10 5   29 o 97.272  6.1427  1156.48    144.236  711.579    236.988  1418.25    181.781  74.851  13.547  107.652 6.9972  -32.80126      15.24777 
1 1 1 -10 5   30 o 267.344 8.7412  8737.23    567.033  8264.42    838.059  9136.42    770.060  258.361 13.415  272.586 11.643  -14.22562      17.76256 
1 1 1 -10 5   31 o 130.329 4.7176  2065.73    149.184  2023.31    186.322  2141.50    249.017  128.891 5.9577  132.194 7.7980  -3.303101      9.813385 
1 1 1 -10 5   32 o 150.310 4.4167  2747.62    161.082  2543.68    228.350  2949.63    227.262  144.419 6.5165  155.577 6.0203  -11.15744      8.871771 
1 1 1 -10 5   33 o 97.953  4.0938  1166.87    97.299   1133.10    135.936  1202.34    139.330  96.229  5.8496  99.141  5.8175  -2.911354      8.249943 
1 1 1 -10 5   34 o 150.673 4.3461  2763.21    158.892  2675.41    225.893  2849.20    223.541  147.997 6.2905  152.770 6.0305  -4.773102      8.714238 
1 1 1 -10 5   35 o 69.622  4.2150  592.344    70.869   595.616    98.845   588.883    101.661  69.573  5.9113  69.140  6.1232  0.4328308      8.510973 
1 1 1 -10 5   36 o 129.366 4.2334  2039.15    132.886  1999.96    187.915  2078.34    187.944  127.830 6.0585  130.332 5.9431  -2.502258      8.486812 
1 1 1 -10 5   37 o 131.599 4.2734  2111.78    136.454  2063.52    192.509  2160.51    193.444  129.741 6.1152  132.780 6.0043  -3.038864      8.570085 
1 1 1 -10 5   38 o 92.303  4.1078  1039.19    92.001   1022.00    128.239  1057.43    132.063  91.110  5.8315  92.665  5.9043  -1.555038      8.298610 
1 1 1 -10 5   39 o 40.225  5.3263  201.634    50.708   181.099    67.176   228.833    77.313   37.602  7.6235  42.341  7.8132  -4.738647      10.91621 
1 1 1 -10 5   40 o 105.813 4.1758  1367.55    107.212  1458.79    150.647  1273.91    152.614  108.820 5.7255  101.529 6.2251  7.291710       8.457736 
1 1 1 -10 5   41 o 52.357  5.8725  341.336    73.319   370.846    87.691   272.783    133.654  54.375  6.7948  45.279  11.980  9.096073       13.77259 
1 1 1 -10 5   42 o 82.564  5.4924  841.341    109.404  841.916    133.895  840.185    189.767  82.232  6.7707  81.017  9.8564  1.214714       11.95794 
1 1 1 -10 5   43 o 25.096  9.4931  59.962     79.233   59.962     79.233   0.0000     0.0000   25.096  9.4931  ?       ?       0.000000       9.493115 
1 1 1 -10 5   44 o 30.509  9.4527  118.264    77.196   118.264    77.196   0.0000     0.0000   30.509  9.4527  ?       ?       0.000000       9.452727 
1 1 1 -10 5   45 o 62.107  4.8164  476.559    72.013   415.572    104.567  531.580    99.320   57.141  7.7412  65.196  6.3594  -8.054539      10.01839 
1 1 1 -10 5   46 o 58.682  6.9234  435.123    96.681   389.181    209.969  447.484    108.913  52.203  15.472  59.224  7.7663  -7.020794      17.31191 
1 1 1 -10 5   47 o 33.696  8.8004  150.006    72.735   131.159    184.091  153.492    79.177   36.072  14.243  34.038  9.3156  2.034100       17.01849 
1 1 1 -10 5   48 o 23.846  7.5503  71.271     48.973   120.605    73.408   31.703     65.742   30.384  9.1811  21.117  8.4548  9.266790       12.48101 
1 1 1 -10 5   49 o 83.386  4.5461  859.662    91.633   991.404    131.307  734.599    127.935  88.906  6.1242  76.076  7.0095  12.83008       9.308025 
1 1 1 -10 5   50 o 42.283  7.8933  234.421    78.002   299.542    220.738  225.129    83.382   45.385  16.051  41.148  8.6272  4.237301       18.22218 
1 1 1 -10 5   51 o 31.335  9.6996  130.098    81.302   0.0000     0.0000   130.098    81.302   ?       ?       31.335  9.6996  0.000000       9.699577 
1 1 1 -10 5   52 o 26.438  8.1491  90.316     57.456   92.757     74.208   86.662     90.788   27.344  9.3269  27.689  10.225  -0.3455486     13.83971 
1 1 1 -10 5   53 o 50.014  5.3601  314.128    64.034   276.108    78.192   391.547    111.578  46.224  7.2066  54.528  8.7276  -8.304256      11.31838 
1 1 1 -10 5   54 o 62.227  5.7662  487.106    86.073   533.328    95.897   295.558    195.219  64.977  6.1560  44.891  15.129  20.08581       16.33312 
1 1 1 -10 5   55 o 30.189  7.8893  121.173    58.432   95.934     62.493   296.649    164.780  27.174  8.5191  44.941  13.792  -17.76653      16.21084 
1 1 1 -10 5   56 o 33.916  6.7397  150.557    53.509   136.903    62.626   187.481    102.984  31.943  8.0756  36.639  10.830  -4.695772      13.50934 
1 1 1 -10 6   1  o 393.345 11.372  18824.65   1085.35  18756.06   1550.37  18890.56   1519.92  392.036 16.298  393.492 15.919  -1.456177      22.78287 
1 1 1 -10 6   2  o 394.251 11.822  18915.81   1130.90  15500.11   1615.35  22199.30   1583.78  355.561 18.790  426.655 15.299  -71.09396      24.23068 
1 1 1 -10 6   3  o 386.757 11.168  18197.55   1048.03  18511.45   1499.69  17897.92   1465.20  389.530 15.867  383.034 15.765  6.495789       22.36737 
1 1 1 -10 6   4  o 595.030 16.865  43227.43   2434.96  41059.63   3462.64  45348.07   3424.77  577.837 24.697  607.735 23.225  -29.89856      33.90158 
1 1 1 -10 6   5  o 139.730 3.9147  2369.54    132.725  2179.14    187.502  2560.75    187.900  133.972 5.7681  145.237 5.3319  -11.26541      7.854927 
1 1 1 -10 6   6  o 91.649  3.5967  1019.33    79.982   1113.88    113.110  924.774    113.112  95.668  4.8890  87.113  5.3776  8.555397       7.267828 
1 1 1 -10 6   7  o 352.212 7.4412  15069.31   635.933  15088.61   899.037  15049.99   899.653  352.214 10.520  351.761 10.541  0.4528503      14.89192 
1 1 1 -10 6   8  o 214.951 4.8836  5608.58    254.709  5550.46    359.897  5666.91    360.530  213.773 6.9384  216.006 6.8788  -2.232880      9.770340 
1 1 1 -10 6   9  o 570.566 11.243  39615.14   1556.48  39971.68   2200.71  39258.30   2201.68  572.274 15.849  567.112 16.000  5.162292       22.52074 
1 1 1 -10 6   10 o 335.853 6.9208  13700.92   563.989  13623.08   797.213  13778.90   797.989  334.697 9.8165  336.609 9.7703  -1.912384      13.85002 
1 1 1 -10 6   11 o 392.754 8.0696  18745.95   769.021  18523.08   1087.33  18969.02   1087.79  390.075 11.488  394.758 11.357  -4.682831      16.15398 
1 1 1 -10 6   12 o 110.361 3.7609  1478.19    100.710  1428.55    142.495  1527.73    142.355  108.469 5.4141  112.174 5.2301  -3.705238      7.527773 
1 1 1 -10 6   13 f 296.747 6.3829  10696.21   459.589  9988.40    649.123  11407.67   650.795  286.564 9.3356  306.294 8.7567  -19.73062      12.79973 
1 1 1 -10 6   14 o 357.522 7.4301  15535.29   644.557  14839.67   911.256  16231.79   911.827  349.082 10.758  365.147 10.292  -16.06497      14.88823 
1 1 1 -10 6   15 o 91.124  3.8054  1007.94    84.139   943.829    115.748  1079.77    122.521  87.986  5.4485  94.137  5.3863  -6.150902      7.661550 
1 1 1 -10 6   16 o 53.998  4.2067  356.160    54.682   374.520    75.424   335.818    79.391   55.228  5.7109  52.176  6.4055  3.052227       8.581664 
1 1 1 -10 6   17 o 192.048 4.8329  4479.86    225.208  4449.43    318.622  4510.25    318.363  191.279 6.8650  192.585 6.8129  -1.306305      9.671868 
1 1 1 -10 6   18 o 83.803  3.7274  852.727    75.792   879.992    108.048  826.315    106.344  84.934  5.2689  82.285  5.3555  2.649185       7.512828 
1 1 1 -10 6   19 o 228.926 7.5768  6383.22    420.868  6684.36    573.886  6032.78    619.075  233.905 10.112  221.684 11.549  12.22069       15.35020 
1 1 1 -10 6   20 o 231.776 7.6354  6546.80    429.404  6789.02    585.393  6264.65    631.794  235.603 10.240  225.783 11.571  9.819473       15.45168 
1 1 1 -10 6   21 o 49.005  6.1796  296.864    71.845   262.428    90.452   355.724    118.256  45.653  8.4776  53.162  9.5172  -7.508484      12.74545 
1 1 1 -10 6   22 o 156.454 6.0520  2978.88    229.747  2994.52    304.779  2958.30    349.644  156.474 8.0548  155.311 9.3213  1.163071       12.31935 
1 1 1 -10 6   23 o 119.127 3.9899  1723.96    115.327  1810.25    163.394  1638.29    162.802  121.998 5.5198  116.045 5.7819  5.953217       7.993651 
1 1 1 -10 6   24 o 239.826 5.5318  6995.67    321.905  6815.67    455.771  7174.82    454.715  236.403 7.9457  242.586 7.7252  -6.183167      11.08207 
1 1 1 -10 6   25 o 171.608 4.5738  3579.07    190.450  3263.16    268.510  3898.90    270.172  163.691 6.7604  178.979 6.2212  -15.28842      9.187282 
1 1 1 -10 6   26 o 216.465 5.2267  5697.98    274.526  5523.78    388.877  5871.04    387.603  212.865 7.5291  219.489 7.2780  -6.623764      10.47170 
1 1 1 -10 6   27 o 178.091 4.7335  3855.45    204.545  3666.40    290.016  4042.55    288.531  173.480 6.8898  182.201 6.5265  -8.720657      9.490248 
1 1 1 -10 6   28 f 62.400  7.2260  480.929    107.384  557.453    176.855  436.241    135.149  66.492  11.371  58.940  9.7938  7.551147       15.00690 
1 1 1 -10 6   29 o 30.484  10.343  105.571    91.245   -58.7065   152.887  196.456    113.718  26.435  11.779  39.519  11.295  -13.08445      16.31936 
1 1 1 -10 6   30 o 145.260 6.3818  2571.04    224.934  2501.16    352.354  2619.11    292.228  142.428 10.265  146.168 8.2735  -3.740402      13.18380 
1 1 1 -10 6   31 o 169.841 4.7178  3508.90    194.421  3407.23    275.335  3610.00    274.571  167.126 6.7898  172.056 6.5769  -4.930145      9.452863 
1 1 1 -10 6   32 o 68.566  4.2923  574.027    71.051   571.922    99.351   576.230    101.651  68.222  6.0651  68.463  6.1860  -0.2409744     8.663253 
1 1 1 -10 6   33 o 171.193 4.5602  3567.63    189.423  3464.33    269.132  3669.04    266.654  168.387 6.5871  173.335 6.3401  -4.948563      9.142577 
1 1 1 -10 6   34 o 104.880 4.0395  1338.72    102.797  1299.10    144.923  1378.84    145.833  102.980 5.8238  106.127 5.6839  -3.146805      8.137777 
1 1 1 -10 6   35 f 121.496 4.1873  1798.05    123.441  1774.19    173.567  1822.47    175.596  120.444 5.9391  122.074 5.9283  -1.629784      8.391471 
1 1 1 -10 6   36 o 11.494  5.4168  -43.4286   39.162   -58.8716   48.336   -13.9242   66.811   12.492  5.9260  18.181  7.9563  -5.688955      9.920677 
1 1 1 -10 6   37 o 183.260 4.8908  4104.30    217.477  4095.49    308.917  4112.96    306.220  182.376 6.9809  182.794 6.9041  -0.4179993     9.818325 
1 1 1 -10 6   38 o 109.044 4.1172  1451.02    108.936  1331.39    153.944  1570.99    154.174  103.912 6.1329  113.181 5.6140  -9.269028      8.314382 
1 1 1 -10 6   39 o 55.724  4.5341  382.104    60.774   403.762    82.605   356.549    89.731   56.984  6.0676  53.258  7.1222  3.726326       9.356353 
1 1 1 -10 6   40 o 35.478  7.1248  161.150    59.203   176.729    69.450   119.728    113.245  37.017  7.9682  32.372  11.491  4.645081       13.98359 
1 1 1 -10 6   41 o 45.316  6.4237  258.272    68.655   229.216    82.303   324.748    124.489  42.159  8.3410  49.689  10.646  -7.530502      13.52425 
1 1 1 -10 6   42 o 139.141 6.3726  2391.75    215.147  2391.75    215.147  0.0000     0.0000   139.141 6.3726  ?       ?       0.000000       6.372579 
1 1 1 -10 6   43 o 105.909 6.3035  1391.49    161.253  1391.49    161.253  0.0000     0.0000   105.909 6.3035  ?       ?       0.000000       6.303457 
1 1 1 -10 6   44 o 34.347  6.7942  151.406    54.618   209.808    86.379   112.503    70.500   39.983  9.1073  29.666  9.0049  10.31694       12.80746 
1 1 1 -10 6   45 o 82.312  5.4654  839.687    108.535  707.148    249.311  870.680    120.559  70.889  14.964  83.653  5.9790  -12.76346      16.11447 
1 1 1 -10 6   46 o 12.306  5.9223  -76.2330   52.127   116.820    163.774  -97.9953   54.987   34.337  13.473  11.958  5.8311  22.37883       14.68068 
1 1 1 -10 6   47 o 25.580  8.7960  78.174     66.027   72.661     181.069  79.019     70.910   32.897  13.697  25.963  9.1047  6.934652       16.44707 
1 1 1 -10 6   48 o 36.633  6.6578  173.025    56.999   263.609    83.431   93.737     78.056   44.967  7.9367  27.733  9.5621  17.23394       12.42683 
1 1 1 -10 6   49 f 61.869  6.4292  484.775    95.105   783.784    243.429  430.914    103.316  73.807  14.107  57.842  7.5408  15.96543       15.99606 
1 1 1 -10 6   50 o 47.851  7.8999  299.029    88.521   0.0000     0.0000   299.029    88.521   ?       ?       47.851  7.8999  0.000000       7.899920 
1 1 1 -10 6   51 o 46.618  5.7478  274.893    63.639   413.582    92.341   149.429    87.827   56.894  6.8253  33.329  10.036  23.56496       12.13694 
1 1 1 -10 6   52 f 90.773  4.7869  1021.93    105.060  962.836    140.680  1096.45    157.974  87.197  6.7004  92.868  7.0636  -5.670769      9.735962 
1 1 1 -10 6   53 o 18.551  7.5582  20.102     53.574   2.8287     65.700   54.379     92.549   18.790  8.0555  25.311  10.065  -6.521072      12.89179 
1 1 1 -10 6   54 o 37.218  7.0897  180.807    61.687   171.493    66.039   244.561    172.780  35.998  7.7870  41.422  14.230  -5.423721      16.22102 
1 1 1 -10 6   55 o 65.388  5.8570  540.112    91.941   590.824    102.779  336.971    205.705  68.213  6.2802  46.777  15.527  21.43581       16.74855 
1 1 1 -10 7   1  o 705.020 19.696  60832.80   3369.25  59451.11   4780.47  62196.57   4749.37  693.713 28.401  709.917 27.572  -16.20355      39.58269 
1 1 1 -10 7   2  o 712.162 19.895  62082.74   3437.83  60686.53   4877.98  63460.60   4845.84  700.754 28.689  716.967 27.855  -16.21338      39.98689 
1 1 1 -10 7   3  o 894.155 24.844  98358.17   5390.08  97503.92   7640.00  99204.74   7605.57  883.828 35.626  891.838 35.146  -8.009338      50.04453 
1 1 1 -10 7   4  o 538.280 10.693  35243.95   1396.60  34656.11   1973.75  35833.37   1976.43  533.053 15.260  542.075 15.026  -9.021790      21.41652 
1 1 1 -10 7   5  o 664.081 12.949  53709.77   2086.47  54331.90   2949.90  53086.95   2951.54  666.655 18.237  658.910 18.461  7.744263       25.94965 
1 1 1 -10 7   6  f 208.857 4.8368  5295.02    245.113  5392.31    346.213  5197.25    347.074  210.711 6.7716  206.860 6.9148  3.851028       9.678293 
1 1 1 -10 7   7  o 260.257 5.6865  8223.81    359.098  7856.57    507.750  8591.32    507.932  254.273 8.2297  265.915 7.8722  -11.64233      11.38863 
1 1 1 -10 7   8  o 296.594 6.3055  10682.68   453.782  10063.75   641.181  11303.79   642.311  287.717 9.1844  304.962 8.6803  -17.24472      12.63728 
1 1 1 -10 7   9  o 271.044 5.8565  8920.52    385.161  9053.14    544.001  8787.21    545.402  272.938 8.2143  268.891 8.3594  4.046844       11.71987 
1 1 1 -10 7   10 o 177.341 6.3867  3819.60    274.822  2344.26    462.298  4625.92    341.768  137.952 14.005  195.135 7.2183  -57.18275      15.75603 
1 1 1 -10 7   11 o 62.200  3.8637  471.377    58.024   446.954    82.323   495.490    81.797   60.403  5.6838  63.658  5.3452  -3.255043      7.802333 
1 1 1 -10 7   12 o 231.532 5.3173  6509.10    298.723  6564.62    422.505  6453.62    422.412  232.420 7.4919  230.444 7.5545  1.976715       10.63955 
1 1 1 -10 7   13 o 222.918 5.2196  6034.08    282.322  6342.87    399.548  5726.17    398.980  228.458 7.2077  217.049 7.5758  11.40952       10.45678 
1 1 1 -10 7   14 o 169.406 4.3828  3484.15    180.153  3537.53    253.551  3429.73    256.017  170.641 6.1238  168.015 6.2800  2.626068       8.771457 
1 1 1 -10 7   15 f 248.893 5.6022  7525.64    338.327  7496.12    477.862  7555.31    479.074  248.238 7.9336  249.217 7.9225  -0.9790497     11.21194 
1 1 1 -10 7   16 o 221.999 5.3290  5987.61    287.055  6027.23    405.553  5947.83    406.362  222.577 7.5094  221.100 7.5746  1.476471       10.66607 
1 1 1 -10 7   17 o 204.663 5.0113  5089.24    248.858  5121.05    350.764  5057.00    353.125  205.154 7.0465  203.859 7.1389  1.294785       10.03080 
1 1 1 -10 7   18 o 115.214 5.5937  1613.85    156.374  1477.78    195.577  1855.02    260.366  109.919 7.3757  123.025 8.7799  -13.10548      11.46681 
1 1 1 -10 7   19 o 415.762 12.109  21206.33   1221.58  21349.19   1703.26  21055.02   1752.96  414.976 16.916  411.773 17.545  3.202728       24.37142 
1 1 1 -10 7   20 o 208.357 7.0631  5288.65    357.080  5283.51    482.725  5294.85    530.644  207.898 9.5694  207.689 10.565  0.2089233      14.25446 
1 1 1 -10 7   21 o 146.886 6.0289  2625.69    214.872  2991.97    284.548  2139.69    327.765  156.666 7.4854  131.809 10.331  24.85660       12.75785 
1 1 1 -10 7   22 o 264.816 5.9089  8532.91    379.675  8765.73    537.710  8301.42    536.177  268.028 8.2681  260.796 8.4731  7.232758       11.83869 
1 1 1 -10 7   23 o 65.710  3.8943  526.339    61.813   579.656    88.355   475.229    86.508   68.835  5.3316  62.232  5.7956  6.602951       7.874938 
1 1 1 -10 7   24 o 234.287 5.3705  6675.47    305.299  6673.94    432.685  6676.99    430.838  233.974 7.6215  234.033 7.5870  -0.5860901E-01 10.75408 
1 1 1 -10 7   25 o 105.852 4.0994  1361.30    105.288  1314.61    148.232  1408.82    149.576  103.774 5.9114  107.456 5.7577  -3.682472      8.252022 
1 1 1 -10 7   26 o 119.330 4.1268  1730.14    119.489  1732.98    168.188  1727.26    169.789  119.340 5.8082  119.139 5.8734  0.2010345      8.260292 
1 1 1 -10 7   27 o 189.803 7.0325  4390.35    323.876  4194.56    491.146  4541.00    430.821  184.603 11.015  192.722 9.2130  -8.119095      14.36011 
1 1 1 -10 7   28 o 99.077  6.1356  1199.78    146.775  1025.70    241.315  1301.99    184.910  90.739  11.198  103.054 7.4450  -12.31564      13.44701 
1 1 1 -10 7   29 o 249.574 8.1390  7609.06    492.873  7953.69    733.716  7325.67    665.344  254.171 11.897  244.124 11.232  10.04753       16.36171 
1 1 1 -10 7   30 o 130.847 4.2055  2081.37    133.518  1976.95    189.083  2185.21    188.564  127.377 6.1178  133.947 5.8018  -6.570259      8.431416 
1 1 1 -10 7   31 o 129.231 4.2507  2030.95    133.286  1988.01    188.129  2074.24    188.864  127.699 6.0716  130.450 5.9668  -2.750725      8.512774 
1 1 1 -10 7   32 f 126.288 4.1978  1940.22    128.633  1899.08    181.477  1981.76    182.354  124.765 5.9947  127.463 5.8961  -2.698669      8.408364 
1 1 1 -10 7   33 o 87.731  4.1024  936.670    87.328   891.106    121.457  985.434    125.650  85.228  5.9098  89.662  5.8067  -4.434082      8.285115 
1 1 1 -10 7   34 o 141.699 4.3817  2446.20    150.652  2423.53    214.663  2468.19    211.480  140.730 6.2865  142.049 6.1357  -1.319519      8.784460 
1 1 1 -10 7   35 o 104.410 4.0781  1328.22    103.316  1413.93    146.796  1244.09    145.435  107.372 5.6545  100.631 5.9832  6.740372       8.232357 
1 1 1 -10 7   36 o 115.591 4.2018  1629.46    117.847  1606.84    165.455  1652.74    167.893  114.329 5.9851  115.954 5.9878  -1.625069      8.466094 
1 1 1 -10 7   37 o 69.204  4.2910  586.806    71.697   645.877    98.762   520.986    104.252  72.361  5.6704  64.707  6.7388  7.653465       8.807099 
1 1 1 -10 7   38 o 23.191  7.0703  66.786     43.392   126.620    55.210   -29.9008   70.182   31.378  7.3758  17.648  7.9138  13.73079       10.81805 
1 1 1 -10 7   39 o 44.960  6.3315  253.814    67.158   224.239    79.825   325.458    124.241  41.762  8.1702  49.820  10.603  -8.058350      13.38577 
1 1 1 -10 7   40 o 76.986  5.4181  731.471    100.566  668.479    122.941  858.859    174.831  73.156  7.0119  82.338  8.8921  -9.182343      11.32418 
1 1 1 -10 7   41 o 26.955  8.7779  88.725     65.863   88.725     65.863   0.0000     0.0000   26.955  8.7779  ?       ?       0.000000       8.777875 
1 1 1 -10 7   42 o 62.853  7.1670  496.765    107.348  496.765    107.348  0.0000     0.0000   62.853  7.1670  ?       ?       0.000000       7.167016 
1 1 1 -10 7   43 o 55.065  4.9239  375.270    65.093   388.671    96.766   364.194    87.973   55.388  7.3842  53.729  6.9080  1.658104       10.11170 
1 1 1 -10 7   44 o 103.591 4.3536  1315.79    109.430  1472.28    157.655  1170.31    152.013  108.912 5.9888  96.866  6.5054  12.04581       8.842250 
1 1 1 -10 7   45 o 60.414  6.9413  461.449    99.903   356.806    228.108  486.285    111.128  49.960  16.339  61.809  7.5679  -11.84828      18.00657 
1 1 1 -10 7   46 o 73.426  6.5947  678.434    116.240  660.899    241.395  683.727    132.629  67.735  15.076  73.306  7.5652  -5.571854      16.86748 
1 1 1 -10 7   47 o 22.254  7.4783  59.516     47.699   38.164     75.666   73.596     61.446   22.675  9.0733  24.774  8.4869  -2.099693      12.42386 
1 1 1 -10 7   48 f 23.200  7.6741  66.113     50.268   85.063     77.424   52.304     66.093   26.818  9.5035  22.914  8.6697  3.904531       12.86391 
1 1 1 -10 7   49 o 53.160  7.4683  365.062    93.675   0.0000     0.0000   365.062    93.675   ?       ?       53.160  7.4683  0.000000       7.468284 
1 1 1 -10 7   50 o 56.870  28.785  34.559     1987.53  0.0000     0.0000   34.559     1987.53  ?       ?       56.870  28.785  0.000000       28.78473 
1 1 1 -10 7   51 o 29.665  8.1150  116.610    60.101   165.791    74.223   22.959     102.423  35.158  8.7386  24.133  10.191  11.02458       13.42440 
1 1 1 -10 7   52 o 51.062  6.0495  330.388    73.493   411.282    94.242   204.841    117.406  56.662  7.0038  38.444  11.610  18.21851       13.55869 
1 1 1 -10 7   53 o 18.395  7.8505  4.6488     61.893   25.124     66.111   -140.6230  176.094  20.493  8.3781  24.409  11.498  -3.916067      14.22672 
1 1 1 -10 7   54 o 18.046  7.5190  13.256     54.619   11.862     57.622   25.589     171.414  18.335  7.6876  29.505  12.831  -11.17051      14.95806 
1 1 1 -10 8   1  o 323.927 9.6677  12757.70   759.861  12465.40   1089.80  13034.26   1060.04  319.810 14.044  327.097 13.356  -7.287262      19.38085 
1 1 1 -10 8   2  o 601.849 11.932  44090.84   1742.42  43964.45   2462.45  44217.59   2465.86  599.985 16.915  601.716 16.889  -1.730835      23.90302 
1 1 1 -10 8   3  o 95.609  4.0429  1109.42    93.790   962.799    153.081  1197.54    118.673  88.742  7.1705  99.324  4.9242  -10.58213      8.698510 
1 1 1 -10 8   4  o 304.941 7.5180  11296.54   556.263  11465.84   684.976  10968.63   953.274  307.116 9.1920  300.076 13.092  7.040253       15.99706 
1 1 1 -10 8   5  o 357.431 7.3694  15519.70   639.133  15054.08   902.695  15987.75   905.050  351.787 10.575  362.558 10.288  -10.77084      14.75406 
1 1 1 -10 8   6  o 447.922 9.1204  24390.40   991.241  23704.38   1401.06  25077.92   1402.59  441.105 13.090  453.755 12.739  -12.64975      18.26601 
1 1 1 -10 8   7  o 549.639 10.949  36761.17   1460.26  37040.20   2064.78  36481.95   2065.46  550.907 15.447  546.714 15.570  4.193237       21.93230 
1 1 1 -10 8   8  o 470.590 9.5091  26929.67   1085.79  27025.77   1535.39  26833.53   1535.69  470.883 13.438  469.197 13.489  1.686005       19.04054 
1 1 1 -10 8   9  o 409.619 8.2776  20393.61   822.709  20744.82   1163.20  20042.06   1163.77  412.764 11.614  405.685 11.823  7.078156       16.57300 
1 1 1 -10 8   10 o 321.192 6.6898  12531.87   521.362  12617.84   736.732  12445.61   737.902  322.091 9.4269  319.878 9.5071  2.212677       13.38850 
1 1 1 -10 8   11 o 605.346 11.870  44647.72   1743.47  44965.56   2465.25  44329.67   2466.04  606.211 16.760  601.871 16.886  4.340332       23.79159 
1 1 1 -10 8   12 o 500.562 9.9111  30497.64   1203.77  30083.54   1702.03  30912.09   1702.75  496.317 14.133  503.149 13.947  -6.831665      19.85646 
1 1 1 -10 8   13 f 718.266 14.137  63056.58   2463.86  62772.59   3484.18  63340.65   3484.67  713.946 20.113  717.216 20.024  -3.270142      28.38090 
1 1 1 -10 8   14 o 345.145 7.1711  14484.24   600.553  14258.30   849.249  14710.25   849.370  342.052 10.232  347.454 10.075  -5.402527      14.35981 
1 1 1 -10 8   15 o 210.943 4.9539  5405.01    253.556  5366.68    358.540  5443.36    358.624  210.062 7.0344  211.561 6.9862  -1.499023      9.914086 
1 1 1 -10 8   16 o 273.459 5.9956  9091.42    397.821  8898.10    561.785  9285.86    563.427  270.241 8.5675  276.088 8.4106  -5.846863      12.00585 
1 1 1 -10 8   17 o 243.505 7.7109  7222.50    455.594  6663.88    618.932  7883.15    673.082  233.428 10.928  253.887 10.926  -20.45868      15.45288 
1 1 1 -10 8   18 o 319.112 9.3769  12437.08   726.050  11221.90   1000.95  13786.38   1054.74  301.997 13.660  334.959 12.977  -32.96161      18.84159 
1 1 1 -10 8   19 o 40.151  7.4564  202.740    69.969   204.052    77.859   197.231    159.515  40.170  8.2637  41.081  13.674  -0.9111557     15.97743 
1 1 1 -10 8   20 o 345.103 10.348  14582.13   866.472  14837.72   1200.79  14304.47   1251.54  346.686 14.275  340.020 15.170  6.666016       20.82991 
1 1 1 -10 8   21 o 96.442  3.7443  1129.75    87.620   1066.61    123.835  1193.05    123.993  93.485  5.4833  98.918  5.1841  -5.433128      7.545963 
1 1 1 -10 8   22 o 189.105 4.6846  4346.53    214.952  4414.13    304.567  4279.44    303.413  190.397 6.5926  187.462 6.6705  2.935638       9.378609 
1 1 1 -10 8   23 o 245.880 5.5020  7353.45    328.251  7390.92    465.053  7316.25    463.386  246.191 7.7851  244.943 7.7968  1.248749       11.01807 
1 1 1 -10 8   24 o 89.987  4.0230  983.767    87.840   1010.40    121.553  954.659    127.079  90.974  5.5329  88.373  5.9612  2.600372       8.133225 
1 1 1 -10 8   25 o 50.811  4.8962  316.771    59.617   490.843    80.452   104.774    88.785   63.310  5.2856  30.278  10.203  33.03194       11.49037 
1 1 1 -10 8   26 o 54.301  7.5593  366.403    96.896   286.747    166.831  406.953    119.031  47.658  13.698  57.049  8.8885  -9.391365      16.32955 
1 1 1 -10 8   27 o 186.338 6.9921  4232.24    316.137  4056.07    481.482  4365.74    419.143  181.477 10.986  188.941 9.1426  -7.464325      14.29279 
1 1 1 -10 8   28 o 146.205 6.3997  2604.30    227.033  2518.53    355.662  2663.28    294.942  142.937 10.324  147.415 8.2793  -4.478180      13.23392 
1 1 1 -10 8   29 o 109.802 4.1413  1465.54    110.333  1501.50    155.713  1429.29    156.358  110.886 5.8076  108.158 5.9812  2.728355       8.336822 
1 1 1 -10 8   30 o 128.670 4.2851  2013.32    133.784  1910.96    188.862  2116.41    189.537  125.195 6.2172  131.782 5.9275  -6.587624      8.590061 
1 1 1 -10 8   31 o 166.231 4.5848  3362.96    184.926  3423.61    262.331  3303.04    260.726  167.465 6.4559  164.478 6.5330  2.987335       9.184731 
1 1 1 -10 8   32 o 243.302 5.6992  7223.12    336.452  7187.14    477.938  7258.46    473.720  241.974 8.1403  243.210 8.0274  -1.236618      11.43256 
1 1 1 -10 8   33 o 17.619  6.8642  23.348     42.278   52.033     56.744   -12.4459   63.387   22.483  8.1170  17.799  7.7703  4.683950       11.23674 
1 1 1 -10 8   34 o 67.223  4.2896  552.943    69.604   569.156    96.203   535.134    100.829  67.954  5.8930  65.782  6.3980  2.172050       8.698383 
1 1 1 -10 8   35 o 165.211 4.6304  3331.70    185.618  3309.07    263.722  3353.93    261.303  164.126 6.6222  165.268 6.5162  -1.141342      9.290543 
1 1 1 -10 8   36 o 67.014  4.3201  550.375    69.872   497.619    95.485   611.189    102.519  63.337  6.2966  70.305  6.0692  -6.968525      8.745405 
1 1 1 -10 8   37 o 147.518 4.4833  2659.39    160.474  2669.76    228.654  2649.32    225.272  147.253 6.3996  146.712 6.3282  0.5409088      9.000030 
1 1 1 -10 8   38 f 58.804  4.6052  425.564    65.183   392.043    88.175   465.956    96.790   55.993  6.6180  61.102  6.6351  -5.108952      9.371324 
1 1 1 -10 8   39 o 56.288  5.8384  393.904    78.579   384.653    94.301   414.919    142.135  55.272  7.2026  56.284  10.800  -1.012066      12.98181 
1 1 1 -10 8   40 o 153.165 8.2020  2938.18    303.712  2938.18    303.712  0.0000     0.0000   153.165 8.2020  ?       ?       0.000000       8.201950 
1 1 1 -10 8   41 o 31.261  7.9041  126.642    59.989   126.642    59.989   0.0000     0.0000   31.261  7.9041  ?       ?       0.000000       7.904062 
1 1 1 -10 8   42 o 77.325  4.8580  736.770    90.682   749.053    120.586  720.783    137.575  77.512  6.4707  75.643  7.5983  1.868858       9.980190 
1 1 1 -10 8   43 o 35.622  6.5659  162.242    54.660   240.981    84.342   105.221    71.773   43.081  8.3702  28.886  9.1398  14.19442       12.39339 
1 1 1 -10 8   44 o 95.035  6.3469  1127.12    145.515  993.449    279.202  1176.97    170.503  84.806  14.061  96.684  7.3223  -11.87791      15.85323 
1 1 1 -10 8   45 o 78.223  6.5677  768.613    123.501  676.981    257.827  795.898    140.693  68.098  15.894  79.250  7.4023  -11.15173      17.53278 
1 1 1 -10 8   46 o 9.9283  4.8465  -69.9048   38.275   -138.7614  70.421   -41.0348   45.598   13.058  6.4154  12.809  5.9747  0.2488184      8.766651 
1 1 1 -10 8   47 o 16.083  6.7687  6.2223     44.940   36.429     70.039   -14.9172   58.592   21.915  8.7430  16.609  7.3524  5.305191       11.42354 
1 1 1 -10 8   48 f 57.409  7.2796  423.485    99.124   0.0000     0.0000   423.485    99.124   ?       ?       57.409  7.2796  0.000000       7.279550 
1 1 1 -10 8   49 o 61.223  6.9905  479.498    101.984  0.0000     0.0000   479.498    101.984  ?       ?       61.223  6.9905  0.000000       6.990510 
1 1 1 -10 8   50 o 39.913  6.6524  205.517    62.158   237.979    87.519   172.476    88.295   42.185  8.8334  35.605  9.8749  6.579960       13.24927 
1 1 1 -10 8   51 o 51.157  5.9446  331.201    72.413   310.444    92.689   363.711    116.002  48.656  8.1385  52.089  9.5294  -3.432606      12.53169 
1 1 1 -10 8   52 o 21.460  8.2007  44.102     59.508   84.216     74.739   -25.3668   98.355   26.498  9.3429  21.092  9.4198  5.405281       13.26732 
1 1 1 -10 8   53 o 39.519  8.9579  210.720    83.914   230.094    90.886   98.773     218.472  41.190  9.3122  35.143  14.864  6.047066       17.54023 
1 1 1 -10 8   54 o 22.134  8.4071  49.487     62.302   40.821     66.727   108.408    173.988  21.761  8.5802  33.203  13.585  -11.44194      16.06769 
1 1 1 -10 9   1  o 587.131 11.564  41956.75   1647.49  42543.31   2328.00  41368.27   2331.81  590.297 16.254  582.029 16.511  8.268005       23.16908 
1 1 1 -10 9   2  o 129.868 3.8615  2046.90    121.681  1982.12    171.169  2113.08    173.012  127.773 5.5211  131.928 5.4047  -4.155579      7.726149 
1 1 1 -10 9   3  o 401.470 8.1878  19586.17   797.601  19374.10   1126.34  19799.47   1129.62  398.959 11.635  403.325 11.543  -4.366425      16.38957 
1 1 1 -10 9   4  f 329.251 6.8838  13167.30   549.942  13203.19   776.301  13131.14   779.178  329.509 9.7096  328.604 9.7724  0.9051819      13.77588 
1 1 1 -10 9   5  o 52.109  3.9579  331.462    49.669   389.285    70.241   273.632    70.244   56.388  5.1921  47.049  6.3124  9.339428       8.173410 
1 1 1 -10 9   6  o 301.645 6.2227  11049.92   455.448  10833.70   642.968  11267.66   645.240  298.525 8.8766  304.455 8.7344  -5.929962      12.45324 
1 1 1 -10 9   7  f 352.590 7.3548  15104.25   629.221  14606.74   889.347  15602.91   890.360  346.469 10.579  358.121 10.246  -11.65250      14.72763 
1 1 1 -10 9   8  o 352.918 7.3795  15133.41   631.921  15024.70   893.488  15242.22   893.856  351.379 10.480  353.920 10.409  -2.541718      14.77044 
1 1 1 -10 9   9  o 571.357 11.237  39751.24   1557.89  39517.26   2203.11  39985.25   2203.27  568.608 15.968  571.989 15.875  -3.381714      22.51679 
1 1 1 -10 9   10 o 401.221 8.1751  19570.88   795.869  19814.57   1125.37  19327.06   1125.69  403.298 11.500  398.284 11.648  5.013550       16.36876 
1 1 1 -10 9   11 o 509.608 10.136  31617.33   1253.29  31387.05   1772.20  31847.72   1772.64  506.846 14.410  510.577 14.309  -3.731293      20.30739 
1 1 1 -10 9   12 o 133.465 4.0134  2162.39    129.969  2296.11    182.779  2025.63    184.847  137.493 5.4788  129.129 5.8996  8.363663       8.051235 
1 1 1 -10 9   13 o 138.629 4.0180  2333.21    135.156  2411.47    191.395  2255.36    190.883  140.888 5.5988  136.246 5.7740  4.642441       8.042749 
1 1 1 -10 9   14 o 117.971 3.9405  1689.77    112.795  1774.82    159.526  1604.74    159.505  120.860 5.4398  114.914 5.7205  5.946045       7.894047 
1 1 1 -10 9   15 o 301.171 6.5194  11031.83   476.415  11004.30   673.858  11059.34   673.648  300.415 9.2445  301.169 9.2185  -0.7546387     13.05529 
1 1 1 -10 9   16 o 322.707 9.8606  12717.63   772.105  13445.62   1069.11  11924.00   1116.26  330.924 13.315  311.207 14.783  19.71698       19.89489 
1 1 1 -10 9   17 o 141.593 5.8957  2438.77    202.555  2261.20    260.645  2709.53    321.855  135.967 7.9349  148.724 8.9608  -12.75713      11.96910 
1 1 1 -10 9   18 o 154.777 6.1413  2915.47    230.639  2955.26    299.838  2857.81    360.940  155.461 7.9756  152.562 9.8023  2.899429       12.63712 
1 1 1 -10 9   19 o 192.170 6.6033  4497.25    307.901  3786.93    408.787  5428.60    468.088  175.713 9.6247  210.766 9.1530  -35.05389      13.28197 
1 1 1 -10 9   20 o 208.532 5.0110  5287.13    253.551  5158.88    357.461  5417.00    359.699  205.756 7.1600  210.857 7.0305  -5.101318      10.03461 
1 1 1 -10 9   21 o 80.487  3.7954  786.896    74.121   775.900    105.936  797.442    103.744  79.679  5.5133  80.802  5.3212  -1.123116      7.662395 
1 1 1 -10 9   22 o 89.264  3.7905  967.880    82.100   917.917    115.979  1018.06    116.234  86.694  5.5425  91.346  5.2665  -4.652283      7.645630 
1 1 1 -10 9   23 o 84.496  4.0235  867.389    82.492   759.613    115.003  981.613    118.393  78.772  6.0635  89.669  5.4676  -10.89745      8.164614 
1 1 1 -10 9   24 o 205.219 4.9666  5120.51    247.308  5185.44    350.072  5055.81    349.421  206.296 6.9936  203.691 7.0699  2.604553       9.944578 
1 1 1 -10 9   25 o 159.180 5.3011  3081.95    204.750  3322.00    382.551  2985.58    242.390  164.506 9.6259  156.582 6.3798  7.923843       11.54817 
1 1 1 -10 9   26 o 110.026 6.0081  1478.08    159.791  1541.09    259.746  1439.72    202.681  111.800 9.6703  108.351 7.7607  3.448822       12.39934 
1 1 1 -10 9   27 o 244.352 8.1065  7292.49    480.631  7363.12    717.516  7235.01    647.320  244.533 12.093  242.708 10.992  1.825409       16.34193 
1 1 1 -10 9   28 o 294.956 9.3448  10657.77   668.790  10413.34   983.711  10867.85   911.980  289.820 13.989  296.649 12.670  -6.828339      18.87358 
1 1 1 -10 9   29 o 60.334  4.6922  445.508    68.152   482.934    92.999   402.093    100.163  62.640  6.2002  56.901  7.4323  5.738258       9.678885 
1 1 1 -10 9   30 o 138.063 4.9800  2320.85    166.828  2157.75    209.079  2606.65    276.771  132.959 6.4808  145.724 7.8566  -12.76476      10.18463 
1 1 1 -10 9   31 o 111.396 4.0978  1509.80    110.760  1519.76    155.561  1499.55    157.738  111.458 5.7719  110.693 5.8941  0.7654724      8.249536 
1 1 1 -10 9   32 o 143.569 4.3553  2510.29    151.721  2451.40    214.686  2569.04    214.446  141.587 6.2491  144.973 6.0963  -3.385254      8.730176 
1 1 1 -10 9   33 o 16.629  6.5673  18.806     39.149   105.669    50.623   -110.4382  61.750   28.779  7.2523  12.747  6.2079  16.03151       9.546417 
1 1 1 -10 9   34 o 146.823 4.9161  2632.87    175.138  2595.87    282.222  2656.04    223.347  144.761 8.0669  147.165 6.2548  -2.403671      10.20768 
1 1 1 -10 9   35 f 91.030  4.1251  1010.74    91.114   1064.34    128.493  956.525    129.219  93.012  5.7212  88.075  6.0839  4.936752       8.351382 
1 1 1 -10 9   36 o 102.566 4.1573  1284.11    103.461  1324.89    145.918  1242.89    146.717  103.720 5.8216  100.388 6.0516  3.331718       8.397182 
1 1 1 -10 9   37 o 75.828  4.2608  704.693    78.077   730.113    108.749  677.651    112.164  76.843  5.8771  73.906  6.3154  2.937477       8.626972 
1 1 1 -10 9   38 o 172.176 6.6020  3662.30    275.810  3636.70    360.427  3698.47    428.439  170.215 8.7565  170.494 10.406  -0.2786407     13.60033 
1 1 1 -10 9   39 o 124.339 5.7854  1903.27    174.545  1847.24    221.190  1995.75    284.165  121.670 7.5293  125.532 9.3976  -3.861542      12.04181 
1 1 1 -10 9   40 o 57.724  6.4592  416.858    88.918   416.858    88.918   0.0000     0.0000   57.724  6.4592  ?       ?       0.000000       6.459181 
1 1 1 -10 9   41 o 36.530  9.3693  175.178    83.448   146.806    90.968   325.796    209.595  33.711  10.228  48.784  15.638  -15.07369      18.68604 
1 1 1 -10 9   42 o 94.182  4.4245  1087.47    101.110  1023.87    144.113  1149.13    141.894  90.586  6.6021  96.179  6.1120  -5.593117      8.996853 
1 1 1 -10 9   43 o 100.891 4.3706  1248.92    106.993  1274.40    154.275  1225.31    148.510  101.115 6.3197  99.190  6.2017  1.924927       8.854355 
1 1 1 -10 9   44 o 68.260  6.5403  585.948    106.999  877.707    229.137  504.586    121.002  80.658  12.080  62.689  8.1476  17.96948       14.57061 
1 1 1 -10 9   45 o 41.727  8.3449  228.641    81.538   310.931    210.390  214.097    88.450   46.640  15.706  40.056  9.2822  6.583958       18.24340 
1 1 1 -10 9   46 o 25.461  7.5964  83.564     50.490   91.560     77.837   77.755     66.340   27.492  9.5447  25.479  8.8137  2.012688       12.99164 
1 1 1 -10 9   47 o 29.745  8.4913  117.044    64.314   142.067    202.735  114.244    67.816   36.733  14.798  29.455  8.8075  7.278370       17.22036 
1 1 1 -10 9   48 o 48.329  7.7079  304.315    87.351   0.0000     0.0000   304.315    87.351   ?       ?       48.329  7.7079  0.000000       7.707945 
1 1 1 -10 9   49 o 29.908  7.5492  118.280    54.789   74.132     79.654   157.924    75.481   25.866  9.5722  34.242  8.9756  -8.375450      13.12207 
1 1 1 -10 9   50 o 22.789  8.6721  51.360     66.370   1.6910     78.337   177.699    124.938  20.281  8.7467  36.212  12.103  -15.93119      14.93301 
1 1 1 -10 9   51 o 62.825  5.5872  495.630    84.282   475.197    107.969  527.504    134.850  60.706  7.4888  63.185  9.0546  -2.479462      11.75020 
1 1 1 -10 9   52 o 61.943  7.2497  493.722    106.901  169.443    118.734  1881.68    245.644  35.356  11.799  120.364 8.4648  -85.00841      14.52136 
1 1 1 -10 9   53 o 25.330  8.9641  76.945     68.862   66.775     73.676   147.227    193.676  24.674  9.1912  36.007  14.478  -11.33294      17.14900 
1 1 1 -10 10  1  f 274.714 6.0049  9164.12    400.267  9159.36    564.195  9168.95    567.950  274.519 8.4702  274.660 8.5222  -0.1406555     12.01547 
1 1 1 -10 10  2  o 249.177 5.5660  7538.62    336.525  7276.25    474.490  7804.17    477.358  244.700 7.9915  253.433 7.7628  -8.733093      11.14113 
1 1 1 -10 10  3  o 290.272 6.3917  10232.92   450.181  10379.66   635.147  10084.78   638.168  292.198 8.9585  288.005 9.1321  4.192078       12.79255 
1 1 1 -10 10  4  o 341.924 7.1669  14202.92   594.603  14215.63   839.479  14190.13   842.320  341.849 10.121  341.539 10.164  0.3107605      14.34364 
1 1 1 -10 10  5  o 331.712 7.0956  13367.29   571.105  13719.30   806.352  13012.98   808.982  335.838 9.8954  327.052 10.194  8.785492       14.20710 
1 1 1 -10 10  6  o 257.771 5.5765  8068.20    348.784  8377.34    492.248  7756.51    494.268  262.559 7.7267  252.624 8.0635  9.934692       11.16788 
1 1 1 -10 10  7  o 533.858 10.589  34688.93   1371.67  34968.47   1938.90  34408.85   1940.78  535.151 14.932  530.821 15.068  4.330750       21.21354 
1 1 1 -10 10  8  o 53.410  3.9860  348.174    51.284   305.923    71.801   392.178    73.275   49.821  6.0647  56.573  5.4038  -6.752544      8.122883 
1 1 1 -10 10  9  o 364.879 7.5425  16182.22   667.776  16736.69   944.250  15627.44   944.507  370.756 10.496  358.213 10.867  12.54288       15.10821 
1 1 1 -10 10  10 o 256.755 5.6938  8007.02    354.717  7952.77    501.174  8061.47    502.118  255.735 8.0767  257.480 8.0371  -1.744736      11.39420 
1 1 1 -10 10  11 o 159.260 4.3929  3079.49    169.755  3205.21    239.399  2952.36    240.747  162.421 6.0746  155.872 6.3655  6.549408       8.798831 
1 1 1 -10 10  12 o 289.957 6.3526  10218.82   446.939  10158.16   631.660  10279.64   632.474  288.827 9.0133  290.554 8.9712  -1.726929      12.71700 
1 1 1 -10 10  13 o 157.836 4.2688  3025.24    163.484  3048.63    230.779  3001.67    231.625  158.371 6.0056  157.144 6.0747  1.227768       8.542187 
1 1 1 -10 10  14 o 274.287 5.9858  9147.10    398.374  9253.04    563.258  9041.07    563.514  275.580 8.4236  272.391 8.5261  3.189056       11.98542 
1 1 1 -10 10  15 o 205.498 7.1095  5141.13    354.497  5483.84    480.379  4731.33    525.297  211.970 9.3400  196.349 11.071  15.62108       14.48456 
1 1 1 -10 10  16 o 143.870 5.8473  2517.80    204.122  2552.83    269.516  2470.67    312.594  144.524 7.7135  141.962 9.1233  2.561661       11.94708 
1 1 1 -10 10  17 o 83.479  5.3492  850.939    107.781  841.257    137.224  866.531    174.136  82.823  6.8909  83.806  8.6898  -0.9825745     11.09037 
1 1 1 -10 10  18 o 246.061 7.9842  7386.61    476.692  7515.86    647.551  7233.71    704.308  247.639 10.777  242.662 11.962  4.976883       16.10048 
1 1 1 -10 10  19 o 381.032 7.9149  17710.35   731.764  17306.70   1034.67  18114.33   1035.08  375.585 11.353  384.344 11.099  -8.758301      15.87737 
1 1 1 -10 10  20 o 174.188 4.5667  3687.66    193.013  3696.48    271.164  3678.60    274.795  174.244 6.4137  173.812 6.5158  0.4317627      9.142823 
1 1 1 -10 10  21 o 56.639  4.3674  392.147    59.558   335.979    81.678   455.923    87.034   52.115  6.6076  60.920  5.9645  -8.805119      8.901389 
1 1 1 -10 10  22 o 110.433 3.9963  1481.60    107.083  1473.09    150.998  1490.22    151.882  109.891 5.6824  110.530 5.6824  -0.6387863     8.036174 
1 1 1 -10 10  23 o 66.264  4.3577  535.913    69.674   453.781    94.740   632.657    102.823  60.696  6.5360  71.856  5.9510  -11.16016      8.839347 
1 1 1 -10 10  24 o 215.396 5.1957  5642.69    271.547  5492.97    384.740  5791.31    383.315  212.240 7.4710  217.960 7.2480  -5.720184      10.40905 
1 1 1 -10 10  25 o 86.199  6.3017  909.664    130.890  790.814    213.257  981.495    165.792  79.468  11.385  89.362  7.7220  -9.893890      13.75681 
1 1 1 -10 10  26 o 88.969  6.2037  968.709    133.084  1265.61    217.765  791.719    168.135  101.338 8.9482  79.994  8.8083  21.34402       12.55613 
1 1 1 -10 10  27 o 193.463 7.2020  4566.88    338.077  4152.55    515.098  4880.42    448.099  183.282 11.643  199.623 9.2512  -16.34082      14.87093 
1 1 1 -10 10  28 o 368.606 7.8765  16610.13   704.463  16271.94   997.255  16946.98   995.270  363.370 11.311  370.958 11.057  -7.588440      15.81771 
1 1 1 -10 10  29 f 196.610 5.0194  4706.40    239.455  4549.60    338.758  4862.99    338.522  192.938 7.2362  199.521 6.9925  -6.583084      10.06268 
1 1 1 -10 10  30 o 129.101 4.3356  2028.40    135.813  1976.97    192.706  2079.16    191.438  127.240 6.2418  130.513 6.0452  -3.273094      8.689292 
1 1 1 -10 10  31 o 199.230 5.0113  4839.41    242.255  4812.03    343.147  4866.62    342.057  198.164 7.1366  199.303 7.0733  -1.138458      10.04799 
1 1 1 -10 10  32 o 92.053  4.0839  1032.03    91.218   994.740    126.533  1072.38    131.622  90.012  5.8247  93.471  5.8326  -3.458954      8.242971 
1 1 1 -10 10  33 o 118.015 4.6258  1699.47    132.462  1774.39    208.660  1648.89    171.436  119.890 7.2064  115.838 6.1211  4.051094       9.455132 
1 1 1 -10 10  34 o 59.755  4.5210  438.380    65.065   509.335    88.596   355.304    95.865   64.217  5.7467  53.120  7.6590  11.09662       9.575177 
1 1 1 -10 10  35 o 29.905  6.6368  114.384    46.901   184.776    60.045   4.2328     75.112   38.187  6.7259  20.469  8.6897  17.71849       10.98859 
1 1 1 -10 10  36 o 73.543  4.2296  662.842    75.157   596.855    104.482  733.595    108.190  69.343  6.2778  77.045  5.8305  -7.701553      8.567767 
1 1 1 -10 10  37 f 127.685 5.8817  2006.50    182.223  1960.29    231.566  2081.65    295.310  125.376 7.6485  128.252 9.5583  -2.876190      12.24175 
1 1 1 -10 10  38 o 59.440  5.9469  439.427    84.619   459.644    102.795  396.929    149.036  60.487  7.1418  54.694  11.590  5.792675       13.61405 
1 1 1 -10 10  39 o 76.642  6.8647  733.499    126.305  733.499    126.305  0.0000     0.0000   76.642  6.8647  ?       ?       0.000000       6.864669 
1 1 1 -10 10  40 o 91.633  6.3542  1043.50    140.405  1043.50    140.405  0.0000     0.0000   91.633  6.3542  ?       ?       0.000000       6.354187 
1 1 1 -10 10  41 o 105.653 4.4744  1368.62    114.704  1287.88    162.322  1449.14    162.111  101.658 6.6167  108.025 6.2109  -6.366943      9.075067 
1 1 1 -10 10  42 o 63.138  4.9107  493.254    74.639   489.488    107.577  496.748    103.644  62.188  7.2664  62.772  6.9198  -0.5836296     10.03414 
1 1 1 -10 10  43 o 59.391  6.9996  446.862    98.933   493.516    224.029  435.559    110.267  58.317  15.548  58.252  8.0136  0.6496811E-01  17.49197 
1 1 1 -10 10  44 f 17.981  7.6608  3.5262     58.753   133.681    172.909  -13.4631   62.470   35.510  13.869  17.327  7.6347  18.18331       15.83130 
1 1 1 -10 10  45 o 53.302  5.2292  355.088    66.759   376.807    100.601  337.996    89.241   53.954  7.9203  51.257  7.3888  2.696674       10.83171 
1 1 1 -10 10  46 o 47.937  5.2235  288.262    59.773   308.581    86.662   269.824    82.552   48.789  7.5654  45.486  7.7580  3.302837       10.83616 
1 1 1 -10 10  47 o 40.596  8.1989  218.251    77.979   0.0000     0.0000   218.251    77.979   ?       ?       40.596  8.1989  0.000000       8.198872 
1 1 1 -10 10  48 f 41.849  5.6774  222.242    56.161   222.539    80.057   221.955    78.806   40.922  8.3455  40.914  8.2236  0.8308411E-02  11.71642 
1 1 1 -10 10  49 o 22.343  8.0517  56.020     55.798   69.935     66.080   21.449     104.156  24.551  8.7712  24.167  10.245  0.3838062      13.48657 
1 1 1 -10 10  50 o 14.839  6.7758  -31.7010   54.306   15.228     64.106   -150.9570  102.193  19.476  8.1330  16.831  8.1470  2.644604       11.51169 
1 1 1 -10 10  51 o 50.406  6.1756  323.262    73.950   272.906    92.490   412.503    123.128  45.227  8.7445  55.460  9.4910  -10.23275      12.90523 
1 1 1 -10 10  52 o 27.397  9.6096  92.547     78.995   -5.2462    85.728   642.744    203.343  20.643  9.0236  66.713  13.029  -46.07035      15.84883 
1 1 1 -10 11  1  o 122.782 3.8068  1829.67    113.411  1795.01    158.845  1865.71    161.974  121.590 5.3841  123.962 5.3851  -2.371544      7.614983 
1 1 1 -10 11  2  o 410.798 8.2681  20511.32   824.138  20148.03   1163.73  20876.85   1167.30  406.756 11.791  414.070 11.618  -7.314087      16.55338 
1 1 1 -10 11  3  o 272.828 6.0023  9039.48    397.350  8870.44    560.680  9210.04    563.203  270.128 8.5543  275.258 8.4326  -5.130127      12.01184 
1 1 1 -10 11  4  o 327.117 6.8345  12999.04   542.471  12641.11   765.751  13359.64   768.596  322.359 9.7900  331.414 9.5579  -9.055908      13.68204 
1 1 1 -10 11  5  o 361.321 7.3529  15863.68   644.635  15876.04   910.295  15851.24   913.014  361.178 10.387  360.892 10.426  0.2865295      14.71747 
1 1 1 -10 11  6  o 426.296 8.7118  22098.21   901.116  22417.12   1272.89  21777.82   1275.85  428.882 12.232  422.689 12.440  6.192566       17.44612 
1 1 1 -10 11  7  o 311.606 6.5466  11796.22   494.976  11996.28   698.993  11595.01   701.017  314.029 9.1736  308.715 9.3585  5.313629       13.10481 
1 1 1 -10 11  8  o 227.809 5.1910  6301.98    286.938  6287.20    405.306  6316.82    406.278  227.436 7.3445  227.971 7.3448  -0.5350342     10.38687 
1 1 1 -10 11  9  o 67.737  3.7589  558.672    61.538   561.110    86.885   556.220    87.171   67.762  5.3273  67.461  5.3699  0.3016281      7.564130 
1 1 1 -10 11  10 o 181.691 4.5351  4008.45    199.934  3872.61    282.693  4144.40    282.805  178.504 6.5269  184.672 6.3113  -6.168533      9.079261 
1 1 1 -10 11  11 o 244.653 5.5928  7272.48    332.003  7237.69    469.188  7307.36    469.859  243.884 7.9287  245.057 7.9020  -1.173492      11.19398 
1 1 1 -10 11  12 o 156.656 4.3463  2980.39    165.207  2892.31    232.677  3069.94    234.612  154.241 6.2171  158.913 6.0845  -4.672592      8.699082 
1 1 1 -10 11  13 o 423.358 8.6415  21845.83   887.690  21611.85   1255.45  22079.75   1255.32  420.081 12.317  424.647 12.183  -4.566101      17.32444 
1 1 1 -10 11  14 o 386.859 11.301  18320.63   1060.80  18071.10   1475.83  18587.36   1525.81  382.543 15.900  387.833 16.214  -5.290070      22.70903 
1 1 1 -10 11  15 o 270.810 8.5256  8948.33    560.211  9122.50    769.341  8751.74    817.355  272.767 11.624  266.915 12.620  5.851440       17.15800 
1 1 1 -10 11  16 o 202.220 6.9013  4981.35    338.626  4808.84    456.998  5191.38    504.262  198.329 9.4965  205.965 10.090  -7.636169      13.85620 
1 1 1 -10 11  17 o 85.095  5.3516  884.190    109.934  922.526    141.497  825.808    174.616  86.763  6.7749  81.735  8.9510  5.028229       11.22585 
1 1 1 -10 11  18 o 70.766  3.9509  610.284    67.570   543.726    95.057   678.264    96.067   66.579  5.9467  74.486  5.3511  -7.906693      7.999820 
1 1 1 -10 11  19 f 224.307 5.2609  6118.85    286.332  5924.12    403.576  6316.22    406.307  220.428 7.5456  227.633 7.3562  -7.205750      10.53805 
1 1 1 -10 11  20 o 256.389 5.7033  7997.73    354.809  7736.50    501.103  8260.37    502.450  251.786 8.2022  260.216 7.9578  -8.429779      11.42817 
1 1 1 -10 11  21 o 107.752 4.1440  1410.72    108.345  1288.40    149.633  1545.54    157.085  102.712 6.0304  112.557 5.7712  -9.844482      8.347006 
1 1 1 -10 11  22 o 65.446  4.6815  523.309    73.851   353.152    97.836   748.664    112.592  53.253  7.8032  78.203  5.9789  -24.95065      9.830446 
1 1 1 -10 11  23 o 76.128  4.2450  706.459    78.100   702.435    108.944  710.712    112.021  75.733  5.9772  76.164  6.1131  -0.4312134     8.549654 
1 1 1 -10 11  24 o 183.501 7.0684  4104.88    314.720  3631.69    486.521  4445.35    412.696  171.488 11.764  190.689 8.9195  -19.20139      14.76275 
1 1 1 -10 11  25 o 29.543  10.110  98.116     87.197   119.192    179.941  91.648     99.683   37.238  14.253  29.847  10.761  7.391390       17.85925 
1 1 1 -10 11  26 o 110.817 6.3347  1501.30    169.624  1492.44    286.850  1506.07    210.340  109.669 10.925  110.764 7.8777  -1.094902      13.46906 
1 1 1 -10 11  27 o 226.550 5.4573  6249.46    299.988  6343.36    425.574  6156.72    422.931  227.836 7.6982  224.445 7.7660  3.391098       10.93495 
1 1 1 -10 11  28 o 62.346  4.5375  475.420    68.172   431.381    93.234   526.015    99.933   59.088  6.6165  65.355  6.3833  -6.267223      9.193769 
1 1 1 -10 11  29 o 214.396 5.3242  5602.45    276.973  5529.48    392.227  5675.02    391.174  212.485 7.6075  215.295 7.4881  -2.809662      10.67457 
1 1 1 -10 11  30 o 152.092 4.4464  2817.10    164.090  2715.68    231.396  2919.69    232.728  149.026 6.3993  154.558 6.2057  -5.532364      8.914126 
1 1 1 -10 11  31 o 99.610  4.1070  1208.38    99.264   1146.43    140.586  1269.96    140.175  96.628  6.0262  101.781 5.6989  -5.153084      8.294126 
1 1 1 -10 11  32 o 85.819  4.1592  897.616    86.609   881.662    119.672  915.163    125.504  84.666  5.8614  86.232  6.0363  -1.565590      8.413834 
1 1 1 -10 11  33 o 52.378  4.7866  337.905    60.161   311.908    81.142   369.643    89.656   49.895  6.8857  54.376  6.9546  -4.480530      9.786729 
1 1 1 -10 11  34 o 62.339  4.4082  476.950    66.248   450.645    92.095   505.159    95.369   60.197  6.4034  63.808  6.2396  -3.611221      8.940768 
1 1 1 -10 11  35 f 53.891  4.8687  358.350    62.975   326.324    86.315   394.802    92.086   50.890  7.1904  56.137  6.9062  -5.246510      9.969823 
1 1 1 -10 11  36 o 146.894 4.5017  2639.89    160.451  2683.43    227.466  2596.77    226.362  147.490 6.3561  145.061 6.4312  2.429489       9.042119 
1 1 1 -10 11  37 o 55.869  7.4962  394.400    99.057   394.400    99.057   0.0000     0.0000   55.869  7.4962  ?       ?       0.000000       7.496207 
1 1 1 -10 11  38 o 70.543  6.9129  622.480    116.805  622.480    116.805  0.0000     0.0000   70.543  6.9129  ?       ?       0.000000       6.912917 
1 1 1 -10 11  39 o 50.188  6.7689  317.619    80.326   317.619    80.326   0.0000     0.0000   50.188  6.7689  ?       ?       0.000000       6.768909 
1 1 1 -10 11  40 o 43.547  6.4748  239.876    66.333   304.309    99.088   187.552    89.293   48.458  8.7494  37.696  9.7046  10.76143       13.06645 
1 1 1 -10 11  41 o 26.732  7.7597  91.695     53.297   106.185    83.595   81.772     69.180   29.439  9.8999  26.267  9.0052  3.171610       13.38291 
1 1 1 -10 11  42 o 14.920  6.7096  -22.5102   50.840   -207.1689  203.336  -10.1966   52.507   25.428  12.089  16.051  7.0380  9.377289       13.98882 
1 1 1 -10 11  43 o 14.024  6.5994  -59.0326   57.734   265.250    228.083  -81.2333   59.678   44.384  16.235  13.368  6.4084  31.01602       17.45425 
1 1 1 -10 11  44 o 48.161  6.2459  294.103    71.269   400.206    103.406  198.101    98.361   55.665  7.8758  38.206  10.353  17.45887       13.00785 
1 1 1 -10 11  45 o 35.572  6.5670  163.513    54.593   210.378    81.763   125.810    73.336   39.723  8.7219  30.819  9.1461  8.903685       12.63817 
1 1 1 -10 11  46 o 38.225  8.5287  195.126    77.093   0.0000     0.0000   195.126    77.093   ?       ?       38.225  8.5287  0.000000       8.528655 
1 1 1 -10 11  47 o 15.095  6.5562  -4.2685    44.636   58.310     68.629   -50.1490   58.764   23.602  8.8552  14.556  6.7871  9.046254       11.15702 
1 1 1 -10 11  48 o 61.314  5.1970  470.432    76.588   428.327    102.398  523.896    115.386  57.542  7.5134  63.664  7.6210  -6.121891      10.70193 
1 1 1 -10 11  49 o 33.521  7.8957  149.273    63.162   196.767    78.170   59.945     107.205  38.333  8.6142  26.793  10.772  11.54012       13.79281 
1 1 1 -10 11  50 o 64.172  5.4447  516.579    83.978   516.907    107.129  516.055    135.254  63.491  7.0742  62.315  9.2239  1.176083       11.62432 
1 1 1 -10 11  51 o 15.209  7.1663  -67.8686   68.500   -110.6371  73.213   232.576    194.049  14.264  6.9022  40.647  14.959  -26.38338      16.47444 
1 1 1 -10 11  52 o 34.641  9.5058  164.975    82.316   141.456    89.376   296.436    211.302  32.248  10.199  43.940  15.686  -11.69198      18.71014 
1 1 1 -10 12  1  o 592.205 11.606  42713.48   1667.67  43215.00   2356.16  42210.02   2360.73  594.542 16.333  587.525 16.560  7.016785       23.25905 
1 1 1 -10 12  2  o 726.606 14.235  64433.35   2509.71  64689.21   3547.26  64176.90   3551.28  725.898 20.140  722.974 20.244  2.924377       28.55579 
1 1 1 -10 12  3  o 590.514 11.777  42481.75   1687.47  42114.37   2384.75  42850.18   2388.12  586.710 16.752  591.849 16.630  -5.139160      23.60423 
1 1 1 -10 12  4  o 365.800 8.5779  16270.96   761.362  16295.07   1304.40  16258.51   937.663  365.262 14.718  365.443 10.575  -0.1816406     18.12276 
1 1 1 -10 12  5  o 590.456 11.641  42483.13   1667.75  43278.32   2357.09  41685.97   2360.01  594.694 16.335  583.548 16.668  11.14606       23.33754 
1 1 1 -10 12  6  o 393.223 8.0320  18800.56   766.346  19229.87   1082.47  18369.17   1085.09  397.269 11.230  388.233 11.519  9.035889       16.08694 
1 1 1 -10 12  7  o 199.392 4.8065  4827.45    232.543  4953.30    327.497  4699.47    330.252  201.894 6.6853  196.642 6.9216  5.252518       9.622946 
1 1 1 -10 12  8  o 118.718 3.8939  1710.92    112.168  1748.97    157.456  1671.72    159.828  119.997 5.4079  117.311 5.6150  2.685272       7.795717 
1 1 1 -10 12  9  o 133.135 4.0171  2151.97    129.768  2307.07    183.215  1995.83    183.827  137.807 5.4793  128.161 5.9114  9.646255       8.060247 
1 1 1 -10 12  10 o 111.591 3.7790  1511.85    102.322  1616.56    144.506  1406.56    144.906  115.355 5.1628  107.445 5.5774  7.909401       7.600129 
1 1 1 -10 12  11 o 218.662 5.0289  5809.10    266.816  5966.43    377.351  5651.79    377.319  221.451 7.0227  215.516 7.2155  5.935196       10.06885 
1 1 1 -10 12  12 o 460.784 9.3176  25904.72   1041.76  25861.07   1473.32  25948.36   1473.21  459.087 13.226  459.870 13.203  -0.7832336     18.68818 
1 1 1 -10 12  13 o 295.120 8.8968  10627.75   637.084  9873.03    877.261  11469.96   926.718  283.588 12.749  305.735 12.492  -22.14725      17.84916 
1 1 1 -10 12  14 o 112.919 5.5657  1550.80    152.493  1524.74    195.193  1591.61    244.292  111.638 7.2451  113.830 8.9160  -2.192810      11.48855 
1 1 1 -10 12  15 o 162.607 6.1997  3218.57    244.609  3233.28    325.523  3199.48    370.726  162.558 8.2804  161.488 9.5032  1.070755       12.60454 
1 1 1 -10 12  16 o 23.155  8.1474  57.335     56.808   28.472     68.660   119.969    101.145  21.679  8.6541  32.346  10.890  -10.66690      13.90959 
1 1 1 -10 12  17 o 187.375 4.7567  4268.14    216.263  4207.74    306.022  4328.39    305.661  185.850 6.7862  188.508 6.6826  -2.657501      9.524181 
1 1 1 -10 12  18 o 159.765 4.3813  3101.97    169.845  3287.43    240.516  2917.48    239.880  164.347 6.0314  154.794 6.3867  9.553406       8.784525 
1 1 1 -10 12  19 o 195.726 4.8163  4657.18    228.734  4756.68    322.854  4556.90    324.107  197.613 6.7333  193.398 6.9067  4.214630       9.645723 
1 1 1 -10 12  20 o 111.355 4.1086  1506.65    111.013  1452.53    154.994  1563.66    159.078  109.094 5.8770  113.210 5.8107  -4.115486      8.264555 
1 1 1 -10 12  21 o 90.194  4.2252  988.539    92.467   907.367    127.487  1078.64    134.315  86.118  6.1414  93.957  5.9219  -7.839043      8.531442 
1 1 1 -10 12  22 o 70.491  4.3785  606.245    74.519   659.908    101.246  542.809    110.079  73.418  5.7287  66.383  6.9366  7.035004       8.996358 
1 1 1 -10 12  23 o 176.510 6.8114  3796.89    291.722  3859.85    453.759  3752.54    380.862  177.093 10.609  174.956 9.0022  2.137009       13.91350 
1 1 1 -10 12  24 o 107.083 6.3456  1401.75    164.141  1459.53    282.032  1372.16    201.848  108.505 10.858  105.716 7.9267  2.788376       13.44365 
1 1 1 -10 12  25 o 129.737 6.0950  2050.45    191.867  3173.09    320.469  1423.20    239.545  160.913 8.2355  107.408 9.2827  53.50511       12.40936 
1 1 1 -10 12  26 o 64.213  4.6391  504.146    71.794   570.430    99.508   432.180    103.685  68.149  6.0817  59.035  7.4011  9.113777       9.579272 
1 1 1 -10 12  27 f 48.206  5.1873  286.211    59.720   168.804    81.723   420.758    87.485   36.392  9.2385  58.402  6.2718  -22.00961      11.16629 
1 1 1 -10 12  28 o 81.461  4.2483  809.586    83.679   899.204    118.623  720.817    118.060  85.675  5.7395  76.563  6.4141  9.111511       8.607110 
1 1 1 -10 12  29 o 143.501 4.4349  2507.66    154.419  2421.79    220.449  2590.38    216.370  140.730 6.4559  145.603 6.1244  -4.873108      8.898734 
1 1 1 -10 12  30 o 42.409  5.5480  223.360    55.721   229.446    76.138   216.340    81.765   42.586  7.6495  41.171  8.4676  1.414948       11.41114 
1 1 1 -10 12  31 o 121.123 4.2883  1788.41    126.030  1865.49    178.763  1712.25    177.708  123.428 5.9689  118.044 6.2264  5.384949       8.625349 
1 1 1 -10 12  32 o 23.132  7.5285  63.899     48.451   5.8037     64.172   140.926    73.892   19.152  8.0757  33.129  8.9713  -13.97751      12.07063 
1 1 1 -10 12  33 o 53.101  4.8594  347.661    61.917   344.847    83.734   351.057    91.972   52.502  6.7277  52.823  7.3771  -0.3209000     9.984158 
1 1 1 -10 12  34 o 43.076  5.5507  231.372    56.666   216.762    75.399   250.337    85.900   41.148  7.8380  44.174  8.3195  -3.025665      11.43010 
1 1 1 -10 12  35 o 62.751  4.5378  484.250    68.627   461.964    96.673   506.891    97.438   60.808  6.6611  63.801  6.3797  -2.992599      9.223387 
1 1 1 -10 12  36 o 19.186  7.6254  25.171     53.094   64.951     62.711   -75.5191   99.771   24.197  8.5553  19.425  8.9837  4.772415       12.40569 
1 1 1 -10 12  37 o 29.599  9.0543  111.098    71.083   111.098    71.083   0.0000     0.0000   29.599  9.0543  ?       ?       0.000000       9.054283 
1 1 1 -10 12  38 o 57.035  6.9765  409.535    94.535   409.535    94.535   0.0000     0.0000   57.035  6.9765  ?       ?       0.000000       6.976476 
1 1 1 -10 12  39 o 30.805  7.8272  123.277    58.624   172.188    93.111   91.153     75.459   36.165  10.180  27.634  9.4053  8.531481       13.85967 
1 1 1 -10 12  40 o 39.830  6.4062  201.526    59.813   110.516    92.080   267.962    78.672   30.241  10.388  45.786  7.3287  -15.54429      12.71299 
1 1 1 -10 12  41 o 23.371  7.7245  66.199     50.934   -55.0629   86.339   130.927    63.080   18.449  8.4688  31.611  8.1663  -13.16113      11.76474 
1 1 1 -10 12  42 o 102.515 6.6347  1318.62    164.148  1455.39    334.200  1275.13    188.446  102.461 13.793  100.167 7.8153  2.293983       15.85329 
1 1 1 -10 12  43 o 73.416  6.8017  681.840    119.788  394.394    285.487  743.260    131.967  51.055  18.232  76.494  7.1946  -25.43872      19.60042 
1 1 1 -10 12  44 o 103.244 4.6510  1316.18    116.513  1264.78    164.392  1368.06    165.158  100.008 6.8152  104.177 6.5674  -4.168953      9.464561 
1 1 1 -10 12  45 o 30.717  8.8506  125.678    69.566   0.0000     0.0000   125.678    69.566   ?       ?       30.717  8.8506  0.000000       8.850586 
1 1 1 -10 12  46 o 54.330  7.1899  380.584    92.455   0.0000     0.0000   380.584    92.455   ?       ?       54.330  7.1899  0.000000       7.189939 
1 1 1 -10 12  47 o 13.654  6.1335  -17.6422   42.357   -74.8783   65.588   23.306     55.476   14.489  6.8820  19.044  7.7164  -4.554784      10.33945 
1 1 1 -10 12  48 o 59.634  5.3955  446.294    77.225   501.321    99.363   362.353    122.723  62.719  6.6297  51.552  10.172  11.16735       12.14202 
1 1 1 -10 12  49 o 27.628  8.3431  100.113    60.633   89.415     75.317   119.813    102.210  26.992  9.3880  30.882  10.922  -3.890184      14.40210 
1 1 1 -10 12  50 o 20.539  8.3638  27.136     65.560   38.833     71.310   -36.7493   166.652  22.096  8.8199  26.754  12.079  -4.657370      14.95601 
1 1 1 -10 12  51 o 33.910  9.4302  157.477    80.408   148.391    86.689   213.452    215.161  32.939  9.9825  39.677  15.478  -6.737923      18.41763 
1 1 1 -10 13  1  f 469.484 9.4214  26816.41   1073.24  26986.87   1515.58  26644.95   1520.03  470.320 13.281  467.306 13.406  3.013580       18.87027 
1 1 1 -10 13  2  o 262.760 5.7038  8385.22    363.653  8119.87    512.381  8654.55    516.207  258.425 8.1714  266.812 7.9736  -8.386810      11.41705 
1 1 1 -10 13  3  o 258.326 5.7883  8105.14    362.814  7722.22    511.438  8493.06    514.772  251.995 8.3644  264.298 8.0271  -12.30270      11.59301 
1 1 1 -10 13  4  o 227.565 5.2254  6288.75    288.531  6154.68    406.779  6424.49    409.322  225.015 7.4505  229.901 7.3377  -4.886032      10.45711 
1 1 1 -10 13  5  o 506.221 10.156  31208.65   1247.42  31177.74   1762.65  31239.66   1765.59  505.001 14.385  505.499 14.395  -0.4985657     20.35035 
1 1 1 -10 13  6  o 236.693 5.3588  6804.66    307.766  6729.94    434.052  6880.20    436.451  235.253 7.6040  237.868 7.5620  -2.614792      10.72400 
1 1 1 -10 13  7  o 329.463 6.9805  13197.00   558.030  13403.39   787.935  12989.31   790.417  331.687 9.7904  326.497 9.9773  5.189972       13.97847 
1 1 1 -10 13  8  o 208.642 5.0311  5287.80    254.699  5210.39    359.075  5366.19    361.334  206.979 7.1498  210.055 7.0894  -3.076279      10.06875 
1 1 1 -10 13  9  o 134.096 4.0150  2183.49    130.638  2146.73    184.150  2220.72    185.357  132.904 5.7105  135.177 5.6512  -2.273376      8.034028 
1 1 1 -10 13  10 o 225.785 5.2057  6195.06    285.191  6190.30    402.696  6199.84    403.948  225.512 7.3594  225.684 7.3767  -0.1719055     10.42000 
1 1 1 -10 13  11 o 158.179 4.2294  3039.26    162.328  3026.35    229.632  3052.15    229.502  157.745 5.9995  158.418 5.9706  -0.6727295     8.464137 
1 1 1 -10 13  12 o 177.077 6.5070  3816.48    279.580  3972.58    374.630  3620.26    420.025  180.450 8.5562  171.780 10.122  8.669632       13.25375 
1 1 1 -10 13  13 o 203.916 7.0217  5065.58    347.424  5097.46    468.363  5026.56    518.048  204.216 9.4521  202.331 10.589  1.885300       14.19401 
1 1 1 -10 13  14 o 370.284 10.862  16809.43   975.948  16313.68   1355.40  17343.18   1406.41  362.881 15.394  374.106 15.494  -11.22437      21.84067 
1 1 1 -10 13  15 o 307.286 9.4953  11550.37   707.971  11991.41   976.102  11060.82   1028.39  312.019 12.893  299.203 14.165  12.81668       19.15418 
1 1 1 -10 13  16 o 113.664 3.8848  1569.56    107.141  1605.41    151.929  1534.09    151.116  114.879 5.4505  112.293 5.5462  2.586014       7.776110 
1 1 1 -10 13  17 o 138.686 4.0496  2336.92    136.274  2336.90    193.131  2336.93    192.314  138.583 5.7435  138.585 5.7191  -0.2517700E-02 8.105310 
1 1 1 -10 13  18 o 207.940 5.0160  5257.63    253.079  5198.08    358.200  5316.98    357.617  206.519 7.1483  208.879 7.0560  -2.360809      10.04417 
1 1 1 -10 13  19 o 89.467  3.9623  972.482    86.015   934.912    120.738  1011.20    122.569  87.469  5.7203  90.998  5.5781  -3.528404      7.989840 
1 1 1 -10 13  20 o 228.415 5.3919  6346.67    298.831  5975.03    421.439  6722.47    423.793  221.295 7.8487  234.796 7.4387  -13.50127      10.81376 
1 1 1 -10 13  21 o 117.934 4.2038  1690.21    120.293  1536.13    167.256  1855.31    173.137  112.154 6.1699  123.468 5.7792  -11.31414      8.453826 
1 1 1 -10 13  22 o 170.959 6.6822  3561.46    277.190  3676.96    430.742  3479.83    362.136  172.888 10.315  168.475 8.8902  4.412613       13.61748 
1 1 1 -10 13  23 o 79.915  6.7652  783.981    129.949  810.060    236.813  772.744    155.444  80.135  12.595  79.114  8.2175  1.020981       15.03837 
1 1 1 -10 13  24 o 32.469  10.461  126.023    93.706   381.258    182.504  34.647     109.199  54.444  13.798  26.567  10.804  27.87708       17.52422 
1 1 1 -10 13  25 o 107.883 4.2193  1415.12    110.449  1300.68    156.754  1527.95    155.649  103.102 6.2962  111.851 5.7546  -8.748955      8.529805 
1 1 1 -10 13  26 o 165.400 4.5784  3328.61    183.744  3236.20    261.517  3418.70    258.220  162.832 6.6191  167.399 6.3573  -4.567429      9.177532 
1 1 1 -10 13  27 o 115.024 4.1488  1609.57    115.792  1538.51    164.490  1679.37    163.029  112.119 6.0689  117.346 5.7258  -5.226288      8.343653 
1 1 1 -10 13  28 o 104.030 4.2248  1317.39    106.641  1356.67    150.860  1278.17    150.767  105.234 5.9324  102.103 6.1137  3.130562       8.518847 
1 1 1 -10 13  29 o 104.158 4.1823  1321.31    105.699  1254.85    150.850  1385.41    148.149  101.090 6.1797  106.317 5.7645  -5.227242      8.450881 
1 1 1 -10 13  30 o 109.916 4.2228  1472.50    112.621  1478.97    160.817  1466.27    157.769  109.727 6.0637  109.274 5.9729  0.4534912      8.511468 
1 1 1 -10 13  31 o 64.915  4.8248  517.568    75.452   451.337    111.306  573.877    102.631  59.966  7.8373  68.097  6.2822  -8.131210      10.04431 
1 1 1 -10 13  32 o 79.713  4.2872  777.903    82.618   771.924    114.992  784.281    118.777  79.056  6.0404  79.654  6.1943  -0.5979614     8.651923 
1 1 1 -10 13  33 o 66.732  4.5224  546.884    72.794   625.137    102.405  466.953    103.497  71.058  5.9954  61.067  7.1184  9.990677       9.306787 
1 1 1 -10 13  34 o 52.867  4.9528  345.433    62.793   401.210    85.065   278.652    93.079   56.714  6.2874  46.550  8.5560  10.16344       10.61776 
1 1 1 -10 13  35 o 47.967  6.7210  289.889    76.076   345.371    90.161   152.751    141.749  52.271  7.3087  36.079  12.851  16.19175       14.78400 
1 1 1 -10 13  36 f 49.684  7.8892  314.996    91.929   314.996    91.929   0.0000     0.0000   49.684  7.8892  ?       ?       0.000000       7.889237 
1 1 1 -10 13  37 o 36.352  8.5273  172.302    73.915   172.302    73.915   0.0000     0.0000   36.352  8.5273  ?       ?       0.000000       8.527308 
1 1 1 -10 13  38 o 46.718  5.9648  273.799    66.073   275.663    96.809   272.174    90.403   45.996  8.9966  45.872  8.4329  0.1240082      12.33094 
1 1 1 -10 13  39 o 30.706  7.0957  122.126    51.806   84.223     84.911   144.602    65.386   27.508  9.9296  33.266  8.1620  -5.757534      12.85362 
1 1 1 -10 13  40 o 63.436  4.9884  498.652    76.163   484.362    112.260  510.841    103.674  61.649  7.6705  63.646  6.8195  -1.996548      10.26361 
1 1 1 -10 13  41 o 48.088  7.7302  298.353    87.141   203.052    232.123  313.987    94.017   41.434  16.100  49.199  8.1617  -7.764812      18.05081 
1 1 1 -10 13  42 o 45.879  8.5763  276.760    91.961   773.130    256.854  203.778    98.490   73.046  14.994  38.771  10.296  34.27475       18.18899 
1 1 1 -10 13  43 o 71.329  5.0474  633.021    86.792   670.204    127.271  600.698    118.664  72.426  7.3437  68.582  7.2403  3.843987       10.31276 
1 1 1 -10 13  44 f 26.007  8.9154  82.981     67.808   0.0000     0.0000   82.981     67.808   ?       ?       26.007  8.9154  0.000000       8.915449 
1 1 1 -10 13  45 o 50.392  7.5832  330.398    89.849   0.0000     0.0000   330.398    89.849   ?       ?       50.392  7.5832  0.000000       7.583197 
1 1 1 -10 13  46 o 44.841  6.1174  256.650    64.823   385.045    87.776   102.620    96.140   54.816  6.7415  29.170  10.560  25.64560       12.52863 
1 1 1 -10 13  47 o 24.833  8.5268  75.336     62.036   139.395    75.667   -56.0003   108.346  32.162  9.2199  20.766  9.5155  11.39637       13.24958 
1 1 1 -10 13  48 o 39.102  6.9592  198.887    63.607   320.536    79.022   -24.9704   107.197  49.984  6.6830  22.012  9.8321  27.97146       11.88831 
1 1 1 -10 13  49 o 31.902  8.2999  136.436    64.861   94.149     79.132   223.004    113.223  27.581  9.6211  39.830  11.231  -12.24927      14.78828 
1 1 1 -10 13  50 o 56.751  7.0347  415.922    94.791   450.466    107.605  296.245    200.289  58.730  7.7395  44.108  15.311  14.62248       17.15599 
1 1 1 -10 14  1  o 145.390 4.1304  2566.08    145.710  2863.23    204.545  2259.92    207.620  153.541 5.4903  136.387 6.2738  17.15462       8.336944 
1 1 1 -10 14  2  o 419.692 8.5322  21427.32   868.872  21610.84   1226.68  21242.54   1230.88  420.930 12.010  417.300 12.156  3.629333       17.08872 
1 1 1 -10 14  3  o 231.029 5.3695  6482.67    300.999  6456.94    423.970  6508.81    427.403  230.441 7.5825  231.363 7.6134  -0.9215240     10.74514 
1 1 1 -10 14  4  o 237.137 5.3113  6830.30    305.607  6903.60    430.971  6756.16    433.426  238.272 7.4544  235.704 7.5785  2.567276       10.63021 
1 1 1 -10 14  5  o 322.508 6.9266  12645.66   542.030  13131.98   765.274  12156.09   767.825  328.327 9.6061  315.835 10.019  12.49200       13.88032 
1 1 1 -10 14  6  o 259.706 5.7634  8196.03    363.184  8665.32    512.295  7721.85    514.955  266.847 7.9121  251.850 8.4268  14.99710       11.55913 
1 1 1 -10 14  7  o 80.943  3.6870  795.449    72.413   837.351    101.468  751.959    103.374  82.866  5.0708  78.476  5.4630  4.390182       7.453682 
1 1 1 -10 14  8  o 238.952 5.4588  6939.40    316.500  7359.83    446.574  6515.08    448.631  245.894 7.4848  231.298 7.9938  14.59543       10.95096 
1 1 1 -10 14  9  o 348.135 7.2515  14754.86   612.551  14857.00   864.973  14652.11   867.589  348.743 10.222  346.306 10.325  2.437073       14.52905 
1 1 1 -10 14  10 o 294.514 9.0330  10586.03   645.511  10564.28   889.703  10610.20   937.992  293.416 12.497  293.874 13.154  -0.4577026     18.14413 
1 1 1 -10 14  11 o 363.940 10.769  16218.93   951.000  16214.54   1321.04  16223.66   1370.14  362.310 15.027  362.164 15.592  0.1451416      21.65440 
1 1 1 -10 14  12 o 414.782 11.858  21127.82   1193.44  19769.29   1663.61  22568.25   1713.02  398.573 17.202  426.245 16.563  -27.67188      23.87982 
1 1 1 -10 14  13 o 75.535  5.6018  697.967    101.937  603.632    125.167  883.769    175.663  69.965  7.4894  84.624  8.6778  -14.65943      11.46281 
1 1 1 -10 14  14 o 120.921 5.6592  1779.23    166.044  1849.35    213.298  1671.39    264.532  122.962 7.1803  116.518 9.4378  6.444115       11.85866 
1 1 1 -10 14  15 o 81.343  3.8345  803.827    75.682   773.290    107.346  834.008    106.718  79.527  5.5987  82.632  5.3514  -3.104530      7.744879 
1 1 1 -10 14  16 o 286.263 6.2445  9977.24    433.741  10159.94   613.408  9794.53    613.398  288.376 8.7665  283.106 8.9295  5.270355       12.51352 
1 1 1 -10 14  17 o 255.516 5.7930  7945.10    359.156  8039.04    508.663  7851.71    507.186  256.635 8.1687  253.613 8.2420  3.021713       11.60420 
1 1 1 -10 14  18 o 93.794  3.9864  1068.87    90.725   1090.00    128.225  1047.69    128.383  94.483  5.6185  92.611  5.7415  1.871857       8.033190 
1 1 1 -10 14  19 o 74.310  4.1952  673.163    75.333   775.520    103.534  558.001    109.819  79.663  5.3879  67.332  6.8158  12.33061       8.688210 
1 1 1 -10 14  20 o 182.885 4.7587  4066.67    211.171  4090.02    298.768  4043.35    298.515  183.211 6.7208  182.159 6.7539  1.052078       9.528032 
1 1 1 -10 14  21 o 111.349 6.1189  1514.37    164.686  1349.85    265.708  1617.00    209.855  104.368 10.641  114.873 7.5714  -10.50533      13.05996 
1 1 1 -10 14  22 o 124.978 6.1820  1902.62    187.469  1752.12    299.529  1999.54    240.370  119.043 10.477  127.738 7.7925  -8.694801      13.05683 
1 1 1 -10 14  23 o 176.329 6.8312  3792.05    292.269  3675.98    449.446  3877.10    384.723  172.611 10.785  177.743 8.9492  -5.131973      14.01458 
1 1 1 -10 14  24 o 211.505 5.1941  5445.34    266.561  5162.20    375.885  5731.79    378.074  205.554 7.5364  216.665 7.1916  -11.11145      10.41712 
1 1 1 -10 14  25 o 116.600 4.2239  1653.51    119.501  1666.99    169.208  1640.09    168.792  116.777 5.9919  115.823 6.0269  0.9539719      8.498633 
1 1 1 -10 14  26 o 223.738 5.3816  6101.35    292.156  6001.35    414.237  6200.31    412.114  221.358 7.7124  225.042 7.5473  -3.684433      10.79085 
1 1 1 -10 14  27 o 160.022 4.5710  3118.89    177.481  3073.20    252.184  3163.73    249.824  158.517 6.5566  160.865 6.4004  -2.348160      9.162670 
1 1 1 -10 14  28 o 147.068 4.4687  2635.63    159.463  2705.44    226.574  2567.11    224.470  148.684 6.2803  144.811 6.3884  3.872604       8.958485 
1 1 1 -10 14  29 o 74.423  4.3296  677.479    77.847   648.944    110.434  705.663    109.754  72.493  6.3421  75.679  6.0269  -3.185692      8.749012 
1 1 1 -10 14  30 o 92.760  4.5349  1050.28    102.069  1006.67    156.409  1082.62    134.704  90.120  7.2133  93.789  5.9501  -3.668770      9.350623 
1 1 1 -10 14  31 o 107.924 4.2565  1421.76    111.464  1354.85    158.209  1487.70    157.065  104.807 6.2497  109.935 5.9099  -5.128502      8.601448 
1 1 1 -10 14  32 o 51.423  4.9958  326.798    61.547   271.522    83.306   393.230    91.327   46.214  7.7000  56.040  6.8596  -9.825741      10.31235 
1 1 1 -10 14  33 o 120.680 4.3173  1780.56    126.419  1816.14    179.344  1745.42    178.227  121.265 6.1148  118.845 6.2021  2.420746       8.709613 
1 1 1 -10 14  34 o 72.401  7.1049  656.042    123.207  656.042    123.207  0.0000     0.0000   72.401  7.1049  ?       ?       0.000000       7.104895 
1 1 1 -10 14  35 o 97.194  5.6820  1167.20    133.416  1133.45    163.830  1233.65    229.885  95.278  7.1385  98.245  9.7733  -2.966827      12.10268 
1 1 1 -10 14  36 o 31.073  9.0994  124.446    73.002   124.446    73.002   0.0000     0.0000   31.073  9.0994  ?       ?       0.000000       9.099358 
1 1 1 -10 14  37 o 16.810  7.8892  -79.5039   81.552   -79.5039   81.552   0.0000     0.0000   16.810  7.8892  ?       ?       0.000000       7.889153 
1 1 1 -10 14  38 o 19.526  7.3118  36.641     46.748   -17.8323   80.621   64.234     57.379   19.646  8.6641  23.618  8.1953  -3.972052      11.92598 
1 1 1 -10 14  39 o 16.136  6.9102  -0.1830    48.249   49.325     81.570   -26.8255   59.839   24.256  9.5112  16.132  7.2647  8.123579       11.96823 
1 1 1 -10 14  40 o 20.247  8.2175  24.743     63.029   142.310    228.499  15.061     65.573   38.532  15.644  19.789  8.2413  18.74256       17.68175 
1 1 1 -10 14  41 o 22.647  8.5665  50.418     64.518   109.074    234.177  45.600     67.116   37.090  15.521  22.450  8.6757  14.64019       17.78128 
1 1 1 -10 14  42 o 37.707  7.0791  184.694    62.390   244.056    91.941   134.026    84.941   42.714  9.1468  31.850  9.9234  10.86446       13.49581 
1 1 1 -10 14  43 o 40.178  6.8896  209.023    64.749   281.479    96.753   150.254    87.137   45.894  9.0102  33.383  9.9839  12.51048       13.44849 
1 1 1 -10 14  44 o 22.082  8.4837  46.599     63.898   0.0000     0.0000   46.599     63.898   ?       ?       22.082  8.4837  0.000000       8.483655 
1 1 1 -10 14  45 o 12.114  5.7030  -44.3952   43.202   -61.8037   76.244   -36.1629   52.431   16.589  7.7338  14.242  6.5605  2.346819       10.14163 
1 1 1 -10 14  46 o 30.678  7.5232  124.848    55.573   118.036    79.711   131.290    77.519   29.947  9.6487  31.279  9.4308  -1.332123      13.49213 
1 1 1 -10 14  47 o 43.024  6.8846  239.628    69.448   225.538    87.550   263.539    114.051  40.860  9.0675  43.456  10.850  -2.595619      14.13995 
1 1 1 -10 14  48 o 33.844  7.9715  152.877    64.381   151.024    80.783   156.103    106.587  33.336  9.5167  33.967  11.172  -0.6308784     14.67571 
1 1 1 -10 14  49 o 24.305  8.9590  66.177     69.644   85.091     76.780   -21.6318   165.433  26.533  9.4573  27.080  12.146  -0.5476036     15.39406 
1 1 1 -10 14  50 o 42.086  8.4029  238.537    82.803   275.795    91.242   64.615     197.134  45.218  8.6310  32.093  13.858  13.12468       16.32618 
1 1 1 -10 15  1  o 141.386 4.0387  2426.86    138.553  2409.98    194.204  2444.36    197.731  140.846 5.6826  141.845 5.7451  -0.9991150     8.080760 
1 1 1 -10 15  2  o 166.826 4.3474  3379.29    175.980  3300.47    247.308  3460.14    250.468  164.798 6.1847  168.741 6.1174  -3.942307      8.699062 
1 1 1 -10 15  3  o 95.708  3.6837  1112.01    85.546   1084.86    120.518  1139.59    121.448  94.353  5.2855  96.718  5.1941  -2.365135      7.410434 
1 1 1 -10 15  4  o 153.596 4.1989  2864.70    156.486  2840.55    220.173  2889.35    222.455  152.879 5.9354  154.187 5.9461  -1.307266      8.401500 
1 1 1 -10 15  5  o 257.894 5.7595  8083.53    360.402  8205.06    508.336  7960.70    511.046  259.600 8.0702  255.686 8.2374  3.913742       11.53177 
1 1 1 -10 15  6  o 153.918 4.1959  2877.17    156.703  2861.85    220.669  2892.74    222.566  153.428 5.9275  154.253 5.9465  -0.8248444     8.396218 
1 1 1 -10 15  7  o 142.617 4.0921  2470.32    141.607  2576.78    199.664  2362.57    200.867  145.586 5.6522  139.388 5.9391  6.197586       8.198779 
1 1 1 -10 15  8  o 174.567 4.4667  3702.36    189.195  3848.20    266.536  3554.25    268.599  177.856 6.1762  170.905 6.4772  6.951065       8.949818 
1 1 1 -10 15  9  o 334.635 10.014  13692.46   813.076  13595.12   1125.83  13798.58   1175.51  332.219 13.966  334.506 14.483  -2.286621      20.12004 
1 1 1 -10 15  10 o 66.685  5.4333  544.421    87.150   395.699    107.960  822.624    147.657  56.383  8.1260  81.807  7.5230  -25.42411      11.07374 
1 1 1 -10 15  11 f 257.086 8.3633  8069.27    521.702  8777.83    714.973  7262.42    762.958  267.518 11.015  242.479 13.015  25.03900       17.05055 
1 1 1 -10 15  12 o 213.212 7.3393  5543.11    379.689  5997.39    515.108  5002.62    561.857  221.383 9.5894  201.487 11.541  19.89574       15.00468 
1 1 1 -10 15  13 o 69.463  3.8263  587.978    64.243   572.863    91.570   602.629    90.153   68.391  5.5664  70.183  5.3339  -1.791901      7.709447 
1 1 1 -10 15  14 o 36.077  5.1046  161.416    43.438   200.424    61.214   121.853    61.648   40.055  6.5229  31.030  8.1008  9.024845       10.40052 
1 1 1 -10 15  15 o 167.575 4.4765  3413.17    182.017  3383.31    256.898  3443.28    257.927  166.683 6.3519  168.157 6.3215  -1.473785      8.961463 
1 1 1 -10 15  16 o 103.607 3.9727  1304.22    99.872   1387.06    140.365  1219.28    142.133  106.641 5.4428  99.917  5.8887  6.723953       8.018740 
1 1 1 -10 15  17 o 72.417  4.0856  639.259    71.496   576.123    100.872  702.997    101.353  68.519  6.1321  75.811  5.5484  -7.291733      8.269641 
1 1 1 -10 15  18 o 193.036 4.9776  4531.46    233.144  4882.52    330.702  4184.56    328.738  200.167 6.8089  185.246 7.3137  14.92139       9.992606 
1 1 1 -10 15  19 o 252.273 5.8037  7746.65    355.254  7503.71    502.703  7989.01    502.107  247.847 8.3592  255.791 8.0900  -7.944366      11.63287 
1 1 1 -10 15  20 o 162.850 6.3759  3230.78    251.936  3694.62    388.269  2893.47    331.104  173.511 9.2558  153.557 8.9250  19.95377       12.85790 
1 1 1 -10 15  21 o 235.230 7.8525  6757.61    448.194  6962.16    669.284  6591.29    603.493  237.840 11.597  231.655 10.737  6.185028       15.80426 
1 1 1 -10 15  22 o 331.247 10.175  13470.77   817.811  13332.83   1192.42  13593.27   1123.75  327.282 15.016  331.016 13.991  -3.734253      20.52377 
1 1 1 -10 15  23 o 87.430  4.3099  929.555    91.431   861.243    123.852  1011.37    135.543  83.836  6.1310  90.878  6.1837  -7.041916      8.707881 
1 1 1 -10 15  24 f 161.728 4.5899  3182.66    180.115  3136.75    252.123  3230.52    257.402  160.321 6.4812  162.694 6.5204  -2.373047      9.193587 
1 1 1 -10 15  25 o 92.981  4.2638  1051.96    96.195   981.976    130.428  1135.43    142.444  89.503  6.0412  96.258  6.1307  -6.754860      8.607066 
1 1 1 -10 15  26 o 205.194 5.1582  5133.92    256.817  5153.44    363.447  5114.45    362.943  205.066 7.3044  204.284 7.3222  0.7821350      10.34253 
1 1 1 -10 15  27 o 137.984 4.3897  2319.80    146.972  2391.65    208.384  2248.68    207.318  139.820 6.1423  135.546 6.3036  4.273529       8.801295 
1 1 1 -10 15  28 o 84.934  4.1238  879.023    84.986   787.167    118.443  976.498    122.013  79.929  6.1545  89.170  5.6687  -9.240570      8.367303 
1 1 1 -10 15  29 o 110.218 4.5908  1483.09    122.773  1384.59    191.938  1551.29    159.723  105.684 7.5343  112.351 5.8795  -6.667198      9.556885 
1 1 1 -10 15  30 o 44.222  5.3164  242.870    55.903   191.709    75.939   303.393    82.596   38.587  8.3530  49.099  7.1424  -10.51216      10.99031 
1 1 1 -10 15  31 o 36.221  6.2652  165.958    53.070   192.616    70.631   131.396    80.423   38.748  7.7827  32.111  9.5889  6.636307       12.34979 
1 1 1 -10 15  32 o 63.336  4.4986  493.192    68.685   525.174    93.625   455.920    101.071  65.043  6.0000  60.298  7.0407  4.744629       9.250512 
1 1 1 -10 15  33 o 69.936  5.8747  606.628    98.766   590.324    119.029  642.665    176.962  68.591  7.2624  70.317  10.710  -1.726059      12.94024 
1 1 1 -10 15  34 o 101.340 5.7213  1269.09    140.108  1234.92    174.293  1331.51    235.550  99.406  7.2767  102.157 9.6160  -2.750824      12.05891 
1 1 1 -10 15  35 o 26.162  8.6989  82.555     64.559   82.555     64.559   0.0000     0.0000   26.162  8.6989  ?       ?       0.000000       8.698874 
1 1 1 -10 15  36 o 66.201  7.2204  552.107    114.102  552.107    114.102  0.0000     0.0000   66.201  7.2204  ?       ?       0.000000       7.220446 
1 1 1 -10 15  37 o 13.534  6.0402  -15.5132   40.372   -129.7406  72.326   36.186     48.658   13.662  6.6675  19.693  7.4417  -6.031149      9.991778 
1 1 1 -10 15  38 o ?       ?       -152.4478  32.672   -95.7039   68.590   -169.1012  37.158   14.240  6.8378  ?       ?       0.000000       6.837776 
1 1 1 -10 15  39 o 36.440  8.5988  175.458    74.803   160.581    196.464  177.981    80.896   38.064  14.806  36.588  9.1391  1.476620       17.39959 
1 1 1 -10 15  40 o 35.672  8.7191  169.176    74.831   188.156    198.583  166.035    80.786   39.309  14.991  35.235  9.3096  4.074364       17.64613 
1 1 1 -10 15  41 o 52.765  6.0159  351.769    75.645   497.178    108.235  212.922    105.765  62.313  7.2967  39.387  10.761  22.92588       13.00180 
1 1 1 -10 15  42 o 92.554  4.7420  1062.48    106.135  1184.28    150.858  943.099    149.350  96.843  6.4570  85.947  7.2288  10.89671       9.692685 
1 1 1 -10 15  43 o 37.297  9.0129  188.182    80.657   0.0000     0.0000   188.182    80.657   ?       ?       37.297  9.0129  0.000000       9.012887 
1 1 1 -10 15  44 o 22.664  7.6316  62.893     49.676   33.918     82.239   79.539     62.334   22.795  9.3347  25.283  8.5485  -2.487728      12.65753 
1 1 1 -10 15  45 o 57.976  5.7461  424.612    79.767   573.484    109.711  257.659    116.183  66.934  6.8518  42.792  11.096  24.14161       13.04140 
1 1 1 -10 15  46 o 23.294  8.7580  56.775     67.201   51.537     82.800   66.884     115.030  24.163  9.5482  27.703  11.151  -3.540638      14.68043 
1 1 1 -10 15  47 o 21.341  7.9586  47.527     55.273   67.552     66.631   3.3428     98.976   24.278  8.7911  22.553  9.7789  1.725544       13.14952 
1 1 1 -10 15  48 o 37.163  8.9676  187.880    79.936   153.642    89.081   329.411    181.120  33.488  10.113  46.495  14.491  -13.00703      17.67096 
1 1 1 -10 15  49 o 32.643  9.3075  146.131    77.318   88.806     84.581   437.540    190.702  27.171  9.8946  53.125  14.423  -25.95439      17.49099 
1 1 1 -10 16  1  f 161.385 4.2532  3162.72    166.547  3223.07    234.089  3100.87    237.003  162.846 5.9244  159.719 6.1155  3.126282       8.514550 
1 1 1 -10 16  2  o 256.248 5.7030  7980.27    354.589  8087.06    499.357  7871.67    503.599  257.740 7.9848  254.264 8.1627  3.475159       11.41875 
1 1 1 -10 16  3  o 324.940 6.8112  12843.85   537.018  12819.37   757.425  12868.61   761.507  324.202 9.6285  324.818 9.6621  -0.6161194     13.64055 
1 1 1 -10 16  4  o 256.776 5.7004  8015.08    355.157  8250.04    500.548  7776.87    504.005  260.270 7.9261  252.659 8.2212  7.610779       11.41977 
1 1 1 -10 16  5  o 266.238 5.9456  8619.76    384.087  8801.85    541.713  8435.69    544.662  268.735 8.3077  263.052 8.5334  5.682404       11.90951 
1 1 1 -10 16  6  o 216.046 5.0602  5673.18    265.264  5766.14    373.837  5578.90    376.458  217.617 7.0799  214.036 7.2488  3.581024       10.13260 
1 1 1 -10 16  7  o 335.331 10.161  13752.26   826.786  14322.78   1146.42  13133.91   1193.51  341.046 13.854  326.139 15.082  14.90698       20.47904 
1 1 1 -10 16  8  o 321.820 9.6748  12663.99   755.472  12446.56   1044.79  12902.25   1093.69  317.854 13.547  323.477 13.934  -5.623535      19.43402 
1 1 1 -10 16  9  o 279.912 8.6996  9570.24    590.857  9506.20    811.883  9642.35    861.521  278.117 12.031  279.900 12.685  -1.783752      17.48316 
1 1 1 -10 16  10 o 153.214 6.0170  2857.68    223.688  2816.07    295.896  2913.17    341.714  151.678 8.0689  154.080 9.1818  -2.401581      12.22348 
1 1 1 -10 16  11 o 40.830  6.6896  208.371    63.978   314.715    76.868   -31.3868   115.418  50.429  6.4282  23.616  10.393  26.81330       12.22013 
1 1 1 -10 16  12 o 95.383  3.7883  1105.29    87.677   1119.11    123.907  1091.44    124.082  95.764  5.3539  94.560  5.4308  1.203369       7.626112 
1 1 1 -10 16  13 o 110.847 3.8859  1492.81    104.515  1538.94    147.411  1446.19    148.205  112.472 5.4016  108.873 5.6295  3.598991       7.801787 
1 1 1 -10 16  14 o 203.724 4.9714  5047.00    245.745  5089.67    346.571  5003.86    348.508  204.351 6.9896  202.608 7.0891  1.743210       9.955410 
1 1 1 -10 16  15 o 156.456 4.3051  2974.97    163.432  2969.90    230.412  2980.10    231.852  156.187 6.0799  156.452 6.1075  -0.2653809     8.617826 
1 1 1 -10 16  16 f 138.233 4.2292  2322.21    141.853  2274.75    200.711  2369.58    200.510  136.690 6.0516  139.521 5.9229  -2.830444      8.467716 
1 1 1 -10 16  17 o 250.183 5.6337  7617.22    341.994  7440.61    483.673  7793.81    483.633  246.863 8.0748  252.691 7.8879  -5.827927      11.28813 
1 1 1 -10 16  18 o 377.667 9.2652  17453.75   849.037  18189.27   1495.40  17103.87   1031.40  382.237 16.124  373.045 11.395  9.191864       19.74357 
1 1 1 -10 16  19 o 243.874 7.8654  7262.09    465.422  8148.74    695.115  6541.59    626.615  257.506 11.125  230.701 11.194  26.80507       15.78211 
1 1 1 -10 16  20 o 317.121 9.6619  12326.05   743.450  12851.44   1086.82  11863.97   1019.23  322.058 13.908  309.594 13.568  12.46448       19.42980 
1 1 1 -10 16  21 o 270.571 8.5920  8958.97    564.076  9368.56    833.740  8613.23    766.006  275.373 12.478  264.237 11.947  11.13577       17.27548 
1 1 1 -10 16  22 o 98.124  4.1827  1170.75    99.585   1228.01    137.406  1107.40    144.532  100.243 5.6725  95.092  6.2998  5.150803       8.477301 
1 1 1 -10 16  23 o 164.334 4.6282  3286.41    184.547  3023.95    257.895  3561.86    264.197  157.363 6.7542  170.847 6.3732  -13.48454      9.286393 
1 1 1 -10 16  24 o 240.427 5.6535  7049.83    329.810  6614.40    466.004  7486.83    466.840  232.191 8.2714  247.188 7.7835  -14.99637      11.35781 
1 1 1 -10 16  25 o 147.299 4.4156  2642.15    157.816  2492.96    220.509  2798.80    225.962  142.792 6.3644  151.336 6.1536  -8.543961      8.852812 
1 1 1 -10 16  26 o 91.818  4.1918  1026.84    93.387   1057.28    128.649  992.938    135.779  92.836  5.7393  89.860  6.2666  2.976730       8.497642 
1 1 1 -10 16  27 o 38.303  5.7637  183.430    51.907   247.953    69.265   100.777    78.396   44.486  6.6186  29.067  9.5821  15.41869       11.64569 
1 1 1 -10 16  28 o 43.835  5.3783  238.579    56.005   243.249    75.264   232.784    83.834   43.861  7.3307  42.649  8.4000  1.212292       11.14901 
1 1 1 -10 16  29 f 101.325 4.1760  1253.01    102.669  1293.01    144.344  1212.06    146.062  102.482 5.8289  99.143  6.1014  3.339249       8.438181 
1 1 1 -10 16  30 o 130.491 4.3694  2080.95    138.345  2081.48    194.678  2080.42    196.635  130.039 6.1699  129.986 6.2345  0.5288696E-01  8.771358 
1 1 1 -10 16  31 o 173.030 4.8275  3667.97    202.679  3602.49    287.060  3733.05    286.204  170.598 6.9348  173.734 6.7893  -3.135681      9.704981 
1 1 1 -10 16  32 o 54.284  6.4482  369.048    83.270   409.765    98.603   267.806    155.484  57.001  7.2967  44.717  13.328  12.28448       15.19475 
1 1 1 -10 16  33 o 61.266  6.1768  468.133    90.569   514.921    107.942  356.848    166.472  64.025  7.0660  51.165  13.290  12.86004       15.05155 
1 1 1 -10 16  34 o 36.346  9.0023  173.077    78.978   173.077    78.978   0.0000     0.0000   36.346  9.0023  ?       ?       0.000000       9.002337 
1 1 1 -10 16  35 o 77.077  6.1001  739.241    113.152  739.241    113.152  0.0000     0.0000   77.077  6.1001  ?       ?       0.000000       6.100096 
1 1 1 -10 16  36 o 80.904  4.9564  808.067    96.829   900.499    132.481  702.059    141.876  84.918  6.4786  74.355  7.9891  10.56284       10.28582 
1 1 1 -10 16  37 o 52.599  5.4701  345.323    68.792   409.284    105.314  297.721    90.853   56.524  7.8942  47.998  8.0887  8.526070       11.30243 
1 1 1 -10 16  38 o 20.860  7.8161  42.843     53.434   -204.0816  181.204  66.359     55.920   23.579  11.266  23.668  8.0964  -0.8921814E-01 13.87368 
1 1 1 -10 16  39 o 88.291  6.4921  980.229    138.105  947.333    275.265  991.295    159.654  81.532  14.443  88.264  7.5267  -6.731995      16.28641 
1 1 1 -10 16  40 o 51.928  7.5183  348.178    91.972   480.078    221.600  320.730    101.090  56.421  15.643  49.282  8.7755  7.139042       17.93601 
1 1 1 -10 16  41 o 39.023  6.5783  196.425    60.071   259.924    90.088   145.588    80.607   44.178  8.7138  32.888  9.5418  11.29004       12.92192 
1 1 1 -10 16  42 o 42.427  8.5571  240.438    85.051   0.0000     0.0000   240.438    85.051   ?       ?       42.427  8.5571  0.000000       8.557101 
1 1 1 -10 16  43 o 41.831  9.2078  237.466    90.925   0.0000     0.0000   237.466    90.925   ?       ?       41.831  9.2078  0.000000       9.207780 
1 1 1 -10 16  44 o 63.169  5.3706  501.267    81.536   503.466    111.213  498.712    119.894  62.323  7.5053  61.642  8.2209  0.6804581      11.13157 
1 1 1 -10 16  45 o 24.684  8.9498  70.083     69.092   62.256     86.072   84.265     115.858  25.234  9.8043  28.836  11.326  -3.601982      14.98036 
1 1 1 -10 16  46 o 30.006  8.8978  120.436    69.429   133.458    86.231   96.433     117.067  31.552  10.022  29.717  11.465  1.834757       15.22796 
1 1 1 -10 16  47 o 22.106  9.0064  33.638     76.067   -0.0008    83.752   192.119    181.787  20.682  8.9817  37.885  14.368  -17.20266      16.94403 
1 1 1 -10 16  48 o 21.199  8.5758  32.884     68.401   51.342     73.868   -78.1395   181.164  23.234  9.0673  26.173  12.105  -2.939554      15.12440 
1 1 1 -10 17  1  o 173.798 4.5070  3669.23    190.062  3668.30    267.210  3670.19    270.394  173.668 6.3412  173.708 6.4153  -0.3959656E-01 9.020307 
1 1 1 -10 17  2  o 152.938 4.2042  2840.98    156.012  2715.94    219.298  2969.11    221.995  149.441 6.0478  156.263 5.8549  -6.821930      8.417638 
1 1 1 -10 17  3  o 76.201  3.6990  705.137    68.393   671.253    95.046   741.522    98.491   74.120  5.3202  77.930  5.2392  -3.809799      7.466835 
1 1 1 -10 17  4  o 176.905 4.5696  3802.68    196.148  3912.41    275.987  3690.69    278.827  179.310 6.3434  174.133 6.5992  5.176346       9.153528 
1 1 1 -10 17  5  o 126.297 5.6507  1940.09    173.163  2045.44    226.771  1792.76    268.186  129.373 7.2533  120.807 9.2187  8.565659       11.73008 
1 1 1 -10 17  6  o 174.596 6.4413  3711.36    272.881  3843.07    365.504  3545.49    410.172  177.437 8.4895  169.944 9.9910  7.493317       13.11079 
1 1 1 -10 17  7  o 127.383 5.5779  1974.16    172.404  1892.34    225.523  2089.21    267.433  124.351 7.5097  130.531 8.4899  -6.180214      11.33464 
1 1 1 -10 17  8  o 84.797  5.3325  878.148    109.158  927.338    138.164  796.441    178.066  87.003  6.5938  80.166  9.3288  6.836937       11.42392 
1 1 1 -10 17  9  o 164.432 6.2408  3292.73    248.993  3271.92    330.329  3320.11    378.909  163.457 8.3567  164.430 9.5381  -0.9727020     12.68105 
1 1 1 -10 17  10 o 92.884  3.7519  1048.14    84.559   997.283    119.562  1099.02    119.606  90.368  5.4786  94.909  5.2137  -4.541298      7.562976 
1 1 1 -10 17  11 o 250.262 5.7208  7622.62    347.390  7887.05    490.152  7355.74    492.423  254.192 7.9470  245.419 8.2692  8.772949       11.46890 
1 1 1 -10 17  12 o 117.136 3.9306  1667.11    111.717  1660.51    157.282  1673.83    158.712  116.818 5.5489  117.284 5.5771  -0.4661179     7.867257 
1 1 1 -10 17  13 o 149.611 4.2490  2720.32    154.246  2737.14    217.749  2703.37    218.526  149.945 5.9849  149.012 6.0439  0.9328156      8.505762 
1 1 1 -10 17  14 o 237.641 5.4052  6870.76    311.672  6927.55    441.250  6814.22    440.293  238.287 7.6317  236.322 7.6785  1.965363       10.82596 
1 1 1 -10 17  15 o 165.632 4.5423  3335.04    182.551  3349.73    258.261  3320.37    258.071  165.829 6.4185  165.098 6.4422  0.7306061      9.093893 
1 1 1 -10 17  16 o 147.898 4.2998  2658.68    154.304  2566.60    218.427  2750.41    218.012  145.170 6.2011  150.298 5.9781  -5.128677      8.613401 
1 1 1 -10 17  17 o 161.072 6.5372  3161.44    255.492  2752.43    395.009  3455.61    335.001  149.308 10.980  168.186 8.2090  -18.87823      13.70974 
1 1 1 -10 17  18 o 148.388 6.2865  2682.67    226.345  2668.58    356.700  2692.17    292.859  147.184 10.048  148.214 8.1750  -1.029175      12.95350 
1 1 1 -10 17  19 o 96.482  6.1081  1138.60    142.257  1088.67    240.002  1165.64    176.630  93.524  10.773  97.423  7.5305  -3.899063      13.14412 
1 1 1 -10 17  20 o 187.734 6.8711  4300.28    312.992  4725.28    480.481  3987.00    412.526  195.885 10.144  180.065 9.4752  15.81993       13.88082 
1 1 1 -10 17  21 o 153.260 4.4539  2857.11    165.626  2842.14    235.488  2871.76    232.992  152.651 6.3578  153.457 6.2574  -0.8061523     8.920542 
1 1 1 -10 17  22 o 67.752  4.3755  560.782    71.547   560.597    98.924   560.985    103.603  67.520  6.1042  67.499  6.4023  0.2139282E-01  8.845931 
1 1 1 -10 17  23 o 179.697 4.7355  3932.36    206.475  3851.93    291.038  4013.86    292.973  177.503 6.7574  181.215 6.6630  -3.711868      9.489860 
1 1 1 -10 17  24 o 107.721 4.1898  1412.63    109.512  1463.16    151.004  1356.56    159.056  109.323 5.7124  105.157 6.2621  4.166443       8.476207 
1 1 1 -10 17  25 o 149.289 4.4648  2716.22    161.731  2545.72    225.499  2896.83    232.087  144.173 6.4461  153.845 6.2173  -9.671570      8.955861 
1 1 1 -10 17  26 f 56.770  4.7629  396.073    65.001   360.010    86.590   442.632    98.387   53.735  6.7929  59.638  6.9282  -5.902542      9.702764 
1 1 1 -10 17  27 o 39.157  5.6488  191.579    52.117   148.639    69.405   247.096    78.917   33.977  8.4530  44.138  7.6458  -10.16029      11.39789 
1 1 1 -10 17  28 o 81.875  4.2377  820.490    83.899   787.592    116.291  856.201    121.160  79.847  6.0472  83.273  6.0374  -3.425743      8.545161 
1 1 1 -10 17  29 o 115.226 4.2304  1621.97    118.277  1603.79    166.721  1640.40    167.822  114.015 6.0481  115.322 6.0184  -1.306778      8.532326 
1 1 1 -10 17  30 o 164.493 5.3061  3322.18    211.783  3279.89    265.966  3395.47    350.097  162.855 6.7307  164.380 8.8097  -1.525024      11.08660 
1 1 1 -10 17  31 o 66.961  4.9167  552.884    79.326   496.981    116.547  601.134    108.275  62.679  7.8345  69.431  6.5028  -6.752781      10.18161 
1 1 1 -10 17  32 o 43.990  6.9464  245.691    71.683   264.053    83.032   191.955    142.038  45.393  7.8210  38.762  12.904  6.630981       15.08878 
1 1 1 -10 17  33 o 61.634  7.1924  478.818    105.539  478.818    105.539  0.0000     0.0000   61.634  7.1924  ?       ?       0.000000       7.192360 
1 1 1 -10 17  34 o 71.722  6.1899  641.291    106.666  641.291    106.666  0.0000     0.0000   71.722  6.1899  ?       ?       0.000000       6.189924 
1 1 1 -10 17  35 o 115.327 4.9475  1636.24    138.446  1780.60    180.397  1429.38    215.949  119.670 6.2343  106.094 8.4591  13.57609       10.50819 
1 1 1 -10 17  36 o 23.758  7.9792  67.662     54.303   154.330    89.196   16.620     68.451   34.213  10.069  20.308  8.4357  13.90521       13.13590 
1 1 1 -10 17  37 o 49.082  5.6162  302.180    65.681   259.913    98.510   336.007    88.128   44.206  9.4693  51.248  7.2930  -7.041397      11.95215 
1 1 1 -10 17  38 o 38.742  8.4699  198.523    77.400   157.718    199.732  205.734    83.961   37.752  14.858  39.289  9.0004  -1.537235      17.37120 
1 1 1 -10 17  39 f 49.035  7.6808  311.965    88.385   385.303    216.166  297.243    96.850   50.561  15.843  47.409  8.7414  3.152466       18.09473 
1 1 1 -10 17  40 o 27.939  7.8812  102.866    55.746   222.287    84.017   8.9436     74.509   40.758  8.7567  20.292  8.6359  20.46540       12.29868 
1 1 1 -10 17  41 f 47.607  8.1460  298.993    90.715   0.0000     0.0000   298.993    90.715   ?       ?       47.607  8.1460  0.000000       8.145955 
1 1 1 -10 17  42 f 23.067  8.4221  59.493     61.338   0.0000     0.0000   59.493     61.338   ?       ?       23.067  8.4221  0.000000       8.422063 
1 1 1 -10 17  43 o 31.803  7.7312  134.961    59.079   120.444    90.469   145.755    78.010   30.380  10.299  32.734  9.3545  -2.353836      13.91277 
1 1 1 -10 17  44 o 21.209  8.5002  34.396     66.524   13.177     83.289   71.784     110.559  21.461  9.1319  27.634  10.997  -6.172213      14.29437 
1 1 1 -10 17  45 o 37.797  8.3452  191.686    74.488   153.318    94.386   255.040    121.285  33.512  10.464  42.336  11.506  -8.824741      15.55238 
1 1 1 -10 17  46 o 36.259  8.6283  177.978    74.811   168.522    91.734   196.756    129.270  34.914  10.193  37.336  12.304  -2.422779      15.97814 
1 1 1 -10 17  47 o 21.043  8.9587  13.225     80.244   0.9430     85.629   101.767    229.910  20.874  9.0734  35.038  15.046  -14.16357      17.57051 
1 1 1 -10 18  1  o 107.118 3.7481  1393.53    97.417   1419.91    136.230  1365.93    139.359  108.074 5.1950  105.850 5.4445  2.223953       7.525314 
1 1 1 -10 18  2  o 66.921  3.8173  545.722    61.728   545.556    86.281   545.896    88.348   66.767  5.3713  66.774  5.5019  -0.6431580E-02 7.689007 
1 1 1 -10 18  3  o 166.781 6.3077  3385.86    255.260  3561.87    340.939  3161.36    385.060  170.863 8.2236  160.464 9.9387  10.39970       12.89986 
1 1 1 -10 18  4  o 301.124 9.3073  11084.57   680.034  11481.37   938.833  10646.58   986.352  305.484 12.666  293.774 13.837  11.71039       18.75897 
1 1 1 -10 18  5  o 104.665 5.3399  1335.98    135.161  1229.89    174.268  1496.15    214.124  100.188 7.2170  110.432 8.0464  -10.24406      10.80877 
1 1 1 -10 18  6  o 80.855  5.4145  798.922    105.613  932.945    134.545  583.773    170.470  87.289  6.3971  68.210  10.648  19.07872       12.42169 
1 1 1 -10 18  7  o 202.795 7.0964  5014.34    349.187  5381.48    472.736  4573.51    518.013  209.716 9.2902  192.669 11.128  17.04723       14.49619 
1 1 1 -10 18  8  o 374.053 11.180  17187.75   1014.70  17734.65   1410.30  16600.76   1461.06  377.871 15.382  364.954 16.499  12.91687       22.55713 
1 1 1 -10 18  9  o 125.184 4.0263  1904.28    122.298  1937.90    172.459  1870.27    173.456  126.187 5.6326  123.956 5.7671  2.230904       8.061351 
1 1 1 -10 18  10 o 185.326 4.6767  4175.84    210.302  4190.92    296.133  4160.48    298.707  185.465 6.5805  184.780 6.6623  0.6846466      9.364289 
1 1 1 -10 18  11 o 263.771 5.9469  8470.26    380.609  8510.99    536.948  8429.12    539.588  263.954 8.3838  262.663 8.4664  1.290466       11.91503 
1 1 1 -10 18  12 o 95.391  3.8092  1105.53    88.168   1184.71    124.362  1025.52    125.017  98.549  5.2194  91.623  5.6509  6.925911       7.692549 
1 1 1 -10 18  13 o 209.627 5.1905  5345.50    264.009  5452.50    373.443  5238.58    373.288  211.442 7.2790  207.230 7.4238  4.211212       10.39693 
1 1 1 -10 18  14 o 119.015 4.1008  1721.38    118.423  1695.49    168.890  1746.41    166.095  118.010 5.8982  119.782 5.7148  -1.771996      8.212647 
1 1 1 -10 18  15 o 222.325 5.3150  6014.12    286.718  6041.95    405.484  5986.29    405.476  222.517 7.5101  221.484 7.5450  1.033295       10.64561 
1 1 1 -10 18  16 o 129.099 6.0977  2029.97    191.009  2054.21    310.990  2015.28    242.043  129.063 10.009  128.235 7.8163  0.8272552      12.69939 
1 1 1 -10 18  17 o 85.645  6.1262  898.101    126.468  1075.14    213.989  803.074    156.778  93.186  9.6015  80.668  8.1201  12.51808       12.57482 
1 1 1 -10 18  18 o 141.062 6.2749  2425.17    214.775  2193.06    340.227  2578.95    276.927  133.170 10.617  145.062 7.8975  -11.89127      13.23257 
1 1 1 -10 18  19 f 163.596 6.5796  3264.56    261.179  3382.24    408.472  3183.18    339.691  165.589 10.216  160.986 8.7289  4.602997       13.43749 
1 1 1 -10 18  20 o 99.842  4.1247  1212.19    99.924   1242.55    142.988  1183.20    139.696  100.797 5.8719  98.350  5.8808  2.446060       8.310422 
1 1 1 -10 18  21 o 103.585 4.1377  1305.13    103.996  1219.92    147.458  1389.46    146.690  99.808  6.1184  106.606 5.6915  -6.797905      8.356357 
1 1 1 -10 18  22 o 169.787 4.6675  3510.63    192.289  3478.69    272.663  3542.23    271.219  168.683 6.6618  170.235 6.5661  -1.552170      9.353771 
1 1 1 -10 18  23 o 170.695 4.7257  3550.84    195.729  3412.13    275.680  3691.84    277.940  166.925 6.8064  173.682 6.5953  -6.756424      9.477598 
1 1 1 -10 18  24 o 134.855 4.3436  2216.10    142.130  2127.71    198.345  2309.39    203.770  131.837 6.2004  137.368 6.1135  -5.530457      8.707440 
1 1 1 -10 18  25 o 47.061  5.1906  273.866    58.285   287.543    76.464   254.899    90.044   47.933  6.7623  44.671  8.6198  3.262569       10.95578 
1 1 1 -10 18  26 o 105.487 4.2717  1357.67    109.336  1248.89    152.079  1474.05    157.302  100.660 6.2575  109.470 5.9444  -8.809387      8.630895 
1 1 1 -10 18  27 o 72.795  4.3733  649.521    76.888   694.487    104.856  597.226    113.080  74.997  5.8074  69.278  6.8152  5.718788       8.953975 
1 1 1 -10 18  28 o 60.116  4.5294  444.441    65.584   483.924    90.707   401.191    94.937   62.424  6.0652  56.536  7.0756  5.888153       9.319400 
1 1 1 -10 18  29 o 168.865 4.8128  3494.29    197.195  3585.50    279.768  3404.24    277.993  170.225 6.7735  165.800 6.9101  4.424622       9.676237 
1 1 1 -10 18  30 o 152.764 4.6324  2859.73    171.710  2754.97    243.034  2964.14    242.634  149.123 6.7167  154.801 6.4597  -5.678040      9.318933 
1 1 1 -10 18  31 o 65.837  6.1591  540.142    97.246   519.109    114.398  594.937    184.644  64.127  7.4934  66.957  11.796  -2.829720      13.97490 
1 1 1 -10 18  32 o 90.738  7.1853  1031.35    156.902  1031.35    156.902  0.0000     0.0000   90.738  7.1853  ?       ?       0.000000       7.185284 
1 1 1 -10 18  33 o 95.445  6.1245  1132.07    141.087  1132.07    141.087  0.0000     0.0000   95.445  6.1245  ?       ?       0.000000       6.124503 
1 1 1 -10 18  34 o 84.578  4.8670  882.597    99.461   986.733    133.483  752.611    149.132  88.987  6.2212  76.929  8.1118  12.05795       10.22274 
1 1 1 -10 18  35 o 59.371  5.1739  437.966    73.789   563.590    109.445  333.272    99.913   66.862  6.8425  50.709  8.4153  16.15325       10.84608 
1 1 1 -10 18  36 o 60.220  5.1964  451.294    75.186   520.017    111.154  393.331    102.082  63.938  7.2954  55.307  7.8253  8.630749       10.69854 
1 1 1 -10 18  37 o 76.828  6.5854  744.460    121.576  635.221    251.701  777.702    138.848  65.193  16.025  78.148  7.4111  -12.95420      17.65571 
1 1 1 -10 18  38 o 30.313  8.8349  121.571    68.965   15.937     193.874  136.874    73.792   30.947  13.548  32.032  9.0787  -1.084696      16.30847 
1 1 1 -10 18  39 o 36.171  7.2084  171.283    61.043   262.774    95.994   109.167    79.096   44.176  9.2520  29.121  9.6260  15.05495       13.35136 
1 1 1 -10 18  40 o 29.670  9.0587  117.017    71.194   0.0000     0.0000   117.017    71.194   ?       ?       29.670  9.0587  0.000000       9.058661 
1 1 1 -10 18  41 o 35.162  9.1404  168.560    78.704   0.0000     0.0000   168.560    78.704   ?       ?       35.162  9.1404  0.000000       9.140360 
1 1 1 -10 18  42 o 73.218  5.5244  674.403    97.422   736.583    138.731  613.907    136.840  75.316  7.6997  68.254  8.4427  7.061646       11.42644 
1 1 1 -10 18  43 o 40.885  7.5916  220.583    72.539   198.302    93.329   254.583    115.287  37.820  10.013  42.407  11.081  -4.587212      14.93496 
1 1 1 -10 18  44 o 40.165  8.2036  215.531    77.246   125.202    98.637   358.791    124.220  31.032  10.746  50.921  10.405  -19.88947      14.95831 
1 1 1 -10 18  45 o 46.473  7.5063  283.255    81.758   177.680    103.195  461.246    133.991  35.682  10.908  58.189  9.8410  -22.50735      14.69140 
1 1 1 -10 18  46 o 78.326  7.2697  793.870    136.586  841.289    150.085  565.275    329.529  80.273  7.8042  55.083  19.597  25.18993       21.09370 
1 1 1 -10 18  47 o 41.192  9.9766  238.857    98.656   202.928    104.947  511.875    289.296  37.604  10.881  52.773  18.397  -15.16838      21.37358 
1 1 1 -10 19  1  o 101.938 5.4990  1267.73    135.511  1532.81    175.492  876.261    213.266  112.007 6.4850  83.898  10.721  28.10970       12.53016 
1 1 1 -10 19  2  o 315.996 9.7611  12221.13   748.419  12954.30   1034.66  11416.52   1083.90  324.182 13.154  303.735 14.707  20.44760       19.73123 
1 1 1 -10 19  3  o 202.478 7.0256  4997.39    345.163  5116.48    466.185  4852.88    513.506  204.497 9.3953  198.635 10.694  5.861649       14.23468 
1 1 1 -10 19  4  o 118.758 5.5609  1716.29    160.241  1719.49    207.902  1711.60    251.504  118.522 7.2643  117.996 8.8488  0.5259399      11.44868 
1 1 1 -10 19  5  o 138.032 5.8132  2319.43    194.698  2366.99    256.781  2255.11    298.621  139.062 7.6394  135.465 9.1385  3.596405       11.91103 
1 1 1 -10 19  6  o 390.097 11.619  18717.55   1099.73  19425.11   1530.96  17963.23   1580.74  395.008 15.973  379.094 17.185  15.91464       23.46215 
1 1 1 -10 19  7  o 179.150 4.5133  3901.81    196.188  3885.46    276.102  3918.48    278.820  178.590 6.3716  179.343 6.4073  -0.7529449     9.036077 
1 1 1 -10 19  8  o 135.985 4.1079  2247.27    135.544  2310.31    190.514  2182.66    192.884  137.771 5.6991  133.892 5.9371  3.878876       8.229787 
1 1 1 -10 19  9  o 232.012 5.4239  6549.92    305.341  6762.07    430.489  6335.12    433.157  235.417 7.5363  227.811 7.8362  7.605698       10.87212 
1 1 1 -10 19  10 o 316.939 6.7985  12243.29   522.821  12400.91   737.919  12084.41   740.851  318.255 9.5558  314.118 9.7202  4.137177       13.63070 
1 1 1 -10 19  11 o 310.520 6.6980  11750.98   504.656  11662.72   712.416  11839.86   714.973  308.645 9.5128  310.991 9.4750  -2.346344      13.42644 
1 1 1 -10 19  12 o 88.243  4.0439  946.281    86.585   975.850    121.417  915.685    123.509  89.366  5.6282  86.522  5.9186  2.843765       8.167382 
1 1 1 -10 19  13 o 120.466 4.1067  1763.68    120.037  1786.07    170.809  1741.84    168.727  121.122 5.8120  119.613 5.8136  1.509193       8.220508 
1 1 1 -10 19  14 o 148.925 5.3250  2698.82    192.420  2453.77    367.039  2791.70    225.960  140.944 10.815  151.389 6.1514  -10.44569      12.44203 
1 1 1 -10 19  15 o 107.783 5.9662  1419.19    155.424  1623.99    260.833  1306.44    193.535  114.759 9.4513  103.141 7.7908  11.61826       12.24838 
1 1 1 -10 19  16 o 146.479 6.3612  2615.10    226.088  2531.63    362.422  2668.27    289.277  143.184 10.505  147.530 8.1122  -4.345566      13.27267 
1 1 1 -10 19  17 o 285.290 9.0612  9972.29    627.241  9908.80    923.071  10026.75   854.947  282.711 13.456  284.862 12.369  -2.150970      18.27758 
1 1 1 -10 19  18 o 149.534 6.5165  2727.72    236.440  2419.83    376.824  2927.64    303.652  139.667 11.214  154.474 8.1300  -14.80617      13.85091 
1 1 1 -10 19  19 o 51.361  4.9257  324.065    60.633   291.881    86.421   355.267    85.091   48.276  7.6314  53.535  6.6971  -5.259315      10.15332 
1 1 1 -10 19  20 o 79.909  4.2336  779.036    81.793   744.729    115.161  813.959    116.192  77.879  6.1442  81.473  5.9180  -3.594185      8.530720 
1 1 1 -10 19  21 o 260.253 5.8905  8268.87    371.974  8237.20    526.651  8300.39    525.453  258.927 8.3827  259.939 8.3310  -1.011414      11.81842 
1 1 1 -10 19  22 o 189.917 4.9190  4398.03    226.674  4405.26    322.014  4390.94    319.137  189.584 7.0002  189.289 6.9484  0.2943726      9.863233 
1 1 1 -10 19  23 f 173.561 4.7547  3674.64    200.237  3610.55    283.408  3738.52    282.947  171.550 6.8086  174.600 6.6788  -3.050430      9.537440 
1 1 1 -10 19  24 o 88.368  4.2508  952.170    91.144   963.650    126.531  939.789    131.400  88.497  5.9268  87.323  6.2428  1.174141       8.608088 
1 1 1 -10 19  25 o 64.888  4.5081  516.561    70.536   495.568    96.842   540.282    102.944  63.188  6.4049  65.979  6.5154  -2.791367      9.136332 
1 1 1 -10 19  26 o 129.481 4.3708  2048.05    137.321  1934.14    191.218  2169.35    197.328  125.211 6.3143  132.822 6.1228  -7.611923      8.795427 
1 1 1 -10 19  27 o 106.632 4.2903  1389.70    111.004  1270.73    153.736  1519.29    160.445  101.354 6.2823  110.953 5.9818  -9.599594      8.674624 
1 1 1 -10 19  28 o 180.437 4.9411  3992.65    216.329  4134.58    307.522  3853.61    304.373  182.667 6.9383  176.256 7.1170  6.411835       9.939399 
1 1 1 -10 19  29 o 165.396 4.7520  3354.69    190.705  3385.20    270.819  3324.69    268.592  165.248 6.7543  163.762 6.7595  1.486191       9.555691 
1 1 1 -10 19  30 o 59.422  6.1405  440.912    87.258   457.986    103.052  397.662    164.018  60.265  7.1892  54.110  12.709  6.155170       14.60141 
1 1 1 -10 19  31 f 75.665  7.2123  719.495    130.810  719.495    130.810  0.0000     0.0000   75.665  7.2123  ?       ?       0.000000       7.212262 
1 1 1 -10 19  32 o 57.765  6.7793  420.311    93.212   420.311    93.212   0.0000     0.0000   57.765  6.7793  ?       ?       0.000000       6.779263 
1 1 1 -10 19  33 o 76.736  4.6601  726.096    86.357   820.471    125.361  640.864    119.133  81.017  6.4299  71.353  6.9700  9.663712       9.482899 
1 1 1 -10 19  34 o 22.303  7.7762  56.968     51.692   131.315    88.913   19.009     63.531   31.939  10.180  19.869  8.1783  12.07015       13.05818 
1 1 1 -10 19  35 o 89.309  4.6530  984.857    100.482  961.995    143.608  1006.78    140.645  87.394  6.8264  89.560  6.5168  -2.165825      9.437654 
1 1 1 -10 19  36 o 84.939  6.5907  909.291    134.768  1286.33    279.294  794.859    153.866  97.155  12.111  78.587  8.1895  18.56770       14.61965 
1 1 1 -10 19  37 f 11.892  5.7011  -64.5764   47.248   -126.4310  196.257  -60.7708   48.680   26.496  12.371  12.331  5.8773  14.16526       13.69616 
1 1 1 -10 19  38 o 30.617  7.9267  124.593    59.348   210.347    96.430   72.305     75.298   39.143  10.089  25.389  9.3221  13.75378       13.73661 
1 1 1 -10 19  39 o 29.764  7.4301  117.514    53.493   98.677     83.423   130.668    69.712   28.178  9.8757  31.168  8.8208  -2.990000      13.24146 
1 1 1 -10 19  40 o 24.595  8.9378  69.710     68.964   0.0000     0.0000   69.710     68.964   ?       ?       24.595  8.9378  0.000000       8.937840 
1 1 1 -10 19  41 o 23.712  8.0498  69.486     55.275   139.137    83.283   14.648     73.898   31.983  9.8033  20.481  8.6527  11.50267       13.07570 
1 1 1 -10 19  42 o 64.082  5.4204  517.009    83.491   528.683    114.279  503.644    122.275  63.762  7.5319  61.740  8.3787  2.022381       11.26641 
1 1 1 -10 19  43 o 49.191  6.7138  312.195    78.042   310.463    97.064   315.362    131.252  48.171  8.6209  46.953  11.591  1.218403       14.44516 
1 1 1 -10 19  44 o 82.615  5.3765  856.932    107.189  843.625    141.733  874.713    163.833  80.836  7.3050  81.551  8.3997  -0.7150497     11.13187 
1 1 1 -10 19  45 o 28.322  10.255  98.948     90.665   89.800     95.787   177.689    281.021  27.831  10.458  39.342  16.758  -11.51068      19.75308 
1 1 1 -10 19  46 o 48.422  9.1357  321.103    103.401  315.581    111.523  354.923    275.997  47.481  9.9962  45.608  17.602  1.873329       20.24250 
1 1 1 -10 20  1  o 162.405 6.3082  3212.70    248.582  3527.88    331.460  2807.55    375.796  169.974 8.0368  150.975 10.320  18.99907       13.08054 
1 1 1 -10 20  2  o 82.155  5.3224  824.636    105.526  839.199    133.153  800.042    173.035  82.713  6.6919  80.378  9.0284  2.334839       11.23808 
1 1 1 -10 20  3  o 132.842 5.7614  2148.34    185.705  2213.98    243.794  2057.62    286.627  134.489 7.5008  129.345 9.1926  5.144058       11.86449 
1 1 1 -10 20  4  o 172.715 6.3874  3634.52    267.683  3567.43    356.763  3720.94    404.915  170.597 8.6470  174.027 9.6266  -3.430206      12.93994 
1 1 1 -10 20  5  o 137.563 4.0759  2299.79    136.047  2485.80    191.593  2110.61    193.217  142.915 5.5251  131.647 6.0488  11.26756       8.192343 
1 1 1 -10 20  6  o 129.068 4.0179  2024.40    125.829  2074.78    177.055  1972.99    178.855  130.563 5.5889  127.305 5.7902  3.258102       8.047478 
1 1 1 -10 20  7  o 123.500 3.9748  1853.43    119.110  1942.06    167.635  1763.05    169.272  126.327 5.4689  120.342 5.7970  5.985451       7.969607 
1 1 1 -10 20  8  o 135.661 4.0656  2236.55    133.827  2166.42    188.040  2308.54    190.503  133.399 5.8095  137.714 5.7011  -4.314926      8.139556 
1 1 1 -10 20  9  o 107.453 3.8679  1402.95    100.846  1451.28    141.930  1353.68    143.317  109.211 5.3560  105.310 5.6291  3.901054       7.770041 
1 1 1 -10 20  10 o 157.013 4.4025  2996.93    167.726  3014.40    236.018  2979.11    238.401  157.316 6.1831  156.383 6.2828  0.9333344      8.815055 
1 1 1 -10 20  11 o 210.767 5.2049  5404.74    266.184  5420.49    375.227  5388.78    377.668  210.778 7.3368  210.149 7.4066  0.6287842      10.42523 
1 1 1 -10 20  12 o 138.859 4.1467  2343.59    139.716  2194.00    196.146  2497.67    199.062  134.217 6.0229  143.231 5.7278  -9.014175      8.311620 
1 1 1 -10 20  13 o 227.404 7.7081  6314.81    425.312  6200.01    633.629  6408.94    573.778  224.091 11.694  228.498 10.349  -4.406418      15.61555 
1 1 1 -10 20  14 o 67.736  6.7849  565.068    110.015  555.876    205.035  568.785    130.371  65.906  13.280  67.749  8.0909  -1.842926      15.55097 
1 1 1 -10 20  15 o 198.534 7.1702  4811.19    345.407  4668.68    522.912  4921.49    460.059  194.438 11.130  200.346 9.4639  -5.908112      14.60956 
1 1 1 -10 20  16 o 300.534 9.2193  11075.04   672.288  11978.26   985.511  10288.87   919.443  310.894 13.064  288.096 13.153  22.79819       18.53849 
1 1 1 -10 20  17 o 80.892  4.2755  798.030    83.619   794.709    117.718  801.413    118.800  80.509  6.0707  80.846  6.1011  -0.3366394     8.606796 
1 1 1 -10 20  18 o 100.061 4.2146  1217.88    102.326  1215.79    144.595  1219.96    144.826  99.662  6.0075  99.834  6.0067  -0.1715546     8.495281 
1 1 1 -10 20  19 o 36.695  6.5359  169.372    56.061   112.196    76.378   236.153    82.545   30.262  9.4069  43.189  8.1762  -12.92760      12.46353 
1 1 1 -10 20  20 f 106.318 4.1517  1375.84    107.101  1332.90    153.203  1416.89    149.782  104.278 6.0814  107.580 5.7590  -3.302086      8.375468 
1 1 1 -10 20  21 o 131.307 4.3298  2100.34    137.949  2157.11    196.408  2045.07    193.797  132.804 6.0952  129.295 6.1774  3.509033       8.678170 
1 1 1 -10 20  22 o 113.454 4.2412  1568.70    116.755  1585.20    165.109  1552.20    165.125  113.636 6.0095  112.429 6.0755  1.206810       8.545517 
1 1 1 -10 20  23 o 68.377  4.3386  572.578    71.609   655.435    102.784  494.428    99.822   72.912  5.8593  63.107  6.6175  9.804401       8.838665 
1 1 1 -10 20  24 o 108.198 4.2502  1428.76    111.582  1346.20    154.209  1519.48    161.656  104.525 6.1069  111.092 6.0196  -6.567856      8.574956 
1 1 1 -10 20  25 o 18.402  7.0194  29.375     43.549   9.4967     53.999   66.360     73.655   17.943  7.4761  25.285  9.2295  -7.342178      11.87750 
1 1 1 -10 20  26 o 77.432  4.3719  735.435    81.804   729.290    111.943  742.478    119.837  76.722  6.0627  77.313  6.4470  -0.5909500     8.849859 
1 1 1 -10 20  27 o 92.773  4.2955  1052.94    96.694   975.273    132.081  1142.63    141.943  88.690  6.1762  96.048  6.1226  -7.357956      8.696630 
1 1 1 -10 20  28 f 66.363  6.1407  548.517    97.758   488.188    112.800  730.552    195.941  62.126  7.6442  74.692  11.153  -12.56587      13.52141 
1 1 1 -10 20  29 o 26.242  8.4559  84.994     61.220   96.664     70.634   49.759     122.738  27.962  9.0895  28.039  11.434  -0.7709312E-01 14.60667 
1 1 1 -10 20  30 o 123.085 6.1916  1880.37    184.325  1926.47    227.916  1793.22    313.388  123.877 7.6196  117.291 11.146  6.585976       13.50124 
1 1 1 -10 20  31 o 57.423  6.6557  415.094    91.016   415.094    91.016   0.0000     0.0000   57.423  6.6557  ?       ?       0.000000       6.655666 
1 1 1 -10 20  32 o 18.876  8.3468  -18.6066   75.317   -18.6066   75.317   0.0000     0.0000   18.876  8.3468  ?       ?       0.000000       8.346846 
1 1 1 -10 20  33 o 68.808  4.8682  586.015    80.753   565.135    118.254  604.260    110.539  66.697  7.4336  69.292  6.6565  -2.595459      9.978392 
1 1 1 -10 20  34 o 75.258  4.8603  701.422    88.278   711.146    129.222  692.913    120.884  74.887  7.2003  74.085  6.8006  0.8024826      9.904205 
1 1 1 -10 20  35 o 71.182  6.7988  641.965    116.000  712.522    255.164  623.584    130.236  69.417  15.537  69.669  7.8404  -0.2515488     17.40294 
1 1 1 -10 20  36 o 20.452  8.1632  31.130     61.085   31.326     187.942  31.107     64.592   31.100  13.480  20.845  8.3681  10.25572       15.86635 
1 1 1 -10 20  37 o 14.334  6.4327  -18.5555   46.469   -44.2800   84.190   -7.2850    55.726   18.465  8.4337  16.638  7.2739  1.827713       11.13724 
1 1 1 -10 20  38 o 20.798  7.7555  44.963     52.486   10.346     86.373   65.228     66.087   21.630  9.2537  23.995  8.7449  -2.365072      12.73198 
1 1 1 -10 20  39 o 13.131  6.1975  -53.8425   51.610   0.0000     0.0000   -53.8425   51.610   ?       ?       13.131  6.1975  0.000000       6.197545 
1 1 1 -10 20  40 f 23.702  7.8919  70.491     53.129   44.665     82.741   88.610     69.304   23.510  9.4595  26.461  9.0135  -2.950460      13.06621 
1 1 1 -10 20  41 o 60.303  5.6096  459.756    81.138   544.640    111.342  363.633    118.484  64.871  7.1948  51.464  9.8472  13.40728       12.19560 
1 1 1 -10 20  42 o 24.887  8.6973  75.574     64.679   54.690     78.317   120.371    114.705  23.922  9.3362  31.134  11.494  -7.212530      14.80779 
1 1 1 -10 20  43 o 36.194  8.4504  177.302    72.865   93.545     90.311   333.513    123.334  27.909  10.215  48.718  10.724  -20.80906      14.81043 
1 1 1 -10 20  44 o 37.673  10.483  200.444    99.325   180.072    105.550  358.031    293.563  35.702  11.052  46.322  18.076  -10.61935      21.18729 
1 1 1 -10 20  45 o 21.286  8.8255  26.860     74.721   58.203     78.236   -298.5450  252.086  24.027  9.3441  25.704  12.523  -1.677065      15.62522 
1 1 1 -10 21  1  o 192.598 6.8991  4523.25    322.408  4815.21    434.597  4165.89    480.805  198.358 9.0297  183.846 10.826  14.51259       14.09749 
1 1 1 -10 21  2  o 78.063  5.3511  745.031    100.746  746.332    126.407  742.766    166.803  77.955  6.7494  77.394  9.0536  0.5618896      11.29258 
1 1 1 -10 21  3  o 261.741 5.8567  8341.74    371.952  8565.49    523.817  8114.19    528.250  264.778 8.1533  257.641 8.4501  7.136627       11.74222 
1 1 1 -10 21  4  f 324.016 6.9004  12801.03   542.510  13005.27   765.215  12594.63   769.251  325.803 9.6797  320.549 9.8903  5.253937       13.83890 
1 1 1 -10 21  5  o 141.139 4.1035  2421.03    140.530  2511.47    197.568  2328.41    199.933  143.636 5.6688  138.278 5.9589  5.358246       8.224575 
1 1 1 -10 21  6  o 175.378 4.5811  3739.74    194.942  3915.50    274.650  3561.28    276.742  179.274 6.3139  170.931 6.6725  8.343170       9.186275 
1 1 1 -10 21  7  o 135.238 4.0440  2222.69    132.702  2157.23    186.489  2289.84    188.871  133.113 5.7739  137.151 5.6755  -4.038666      8.096222 
1 1 1 -10 21  8  o 238.836 5.5427  6942.96    321.206  6848.92    452.750  7038.26    455.774  236.820 7.8791  240.083 7.8239  -3.262177      11.10377 
1 1 1 -10 21  9  o 142.557 4.2148  2470.23    145.791  2413.70    204.911  2528.19    207.473  140.779 5.9988  144.085 5.9344  -3.306152      8.438150 
1 1 1 -10 21  10 o 126.894 5.1483  1959.15    158.515  2027.54    198.446  1838.60    263.478  128.994 6.3403  122.255 8.9441  6.738602       10.96343 
1 1 1 -10 21  11 o 86.593  5.9057  917.422    123.343  657.438    204.088  1067.03    154.816  72.098  12.094  93.286  6.8884  -21.18745      13.91854 
1 1 1 -10 21  12 o 132.226 5.9956  2129.85    192.359  2129.20    301.236  2130.31    249.958  131.467 9.5075  131.819 7.8505  -0.3517151     12.32972 
1 1 1 -10 21  13 o 183.656 6.8070  4114.56    303.338  4087.28    458.796  4135.75    404.320  182.092 10.427  183.740 9.0689  -1.648178      13.81938 
1 1 1 -10 21  14 o 208.456 7.3843  5307.56    373.496  4920.02    558.104  5621.91    502.646  199.404 11.585  214.024 9.6791  -14.61948      15.09621 
1 1 1 -10 21  15 o 156.846 6.4123  3000.76    244.035  3643.06    388.490  2582.13    313.636  172.054 9.3407  144.853 8.9676  27.20099       12.94861 
1 1 1 -10 21  16 o 144.085 4.3979  2525.58    153.754  2507.27    218.378  2543.59    216.517  143.357 6.2781  144.404 6.1794  -1.047043      8.809042 
1 1 1 -10 21  17 o 151.104 4.4370  2778.55    162.676  2890.35    230.227  2667.06    229.891  153.895 6.1655  147.796 6.4106  6.099274       8.894307 
1 1 1 -10 21  18 o 159.948 5.8715  3122.48    227.872  3174.00    286.078  3033.05    376.905  160.995 7.3233  156.459 9.9802  4.536346       12.37881 
1 1 1 -10 21  19 o ?       ?       -163.2729  23.669   -143.3076  25.857   -266.5233  58.801   ?       ?       ?       ?       0.000000       ?        
1 1 1 -10 21  20 o 102.810 4.1752  1287.48    104.155  1346.44    148.989  1231.12    145.661  104.770 5.8846  100.142 6.0226  4.627556       8.420251 
1 1 1 -10 21  21 o 26.652  7.1903  90.288     47.570   99.073     63.104   78.726     72.399   28.185  8.5115  26.494  9.2049  1.690477       12.53695 
1 1 1 -10 21  22 o 116.167 4.2456  1646.12    119.671  1641.66    169.707  1650.53    168.778  115.528 6.0754  115.854 6.0248  -0.3254929     8.556202 
1 1 1 -10 21  23 o 201.494 5.1671  4970.76    252.626  5068.10    359.077  4875.35    355.484  202.541 7.3065  198.617 7.3763  3.923203       10.38245 
1 1 1 -10 21  24 o 133.604 4.4559  2182.15    144.450  2207.58    203.290  2156.22    205.290  133.887 6.2577  132.276 6.3962  1.610794       8.948207 
1 1 1 -10 21  25 o 63.360  4.7282  494.344    72.167   472.846    97.715   520.140    107.038  61.512  6.6529  64.464  6.9533  -2.951885      9.623386 
1 1 1 -10 21  26 o 35.688  6.5638  162.326    54.744   113.199    73.322   224.208    82.292   29.888  9.2046  41.607  8.4399  -11.71903      12.48829 
1 1 1 -10 21  27 o 91.361  6.0027  1035.17    132.327  1044.74    157.230  1011.92    245.013  91.373  7.1488  87.684  11.817  3.688690       13.81111 
1 1 1 -10 21  28 o 129.392 6.1548  2072.07    193.237  1899.40    238.417  2402.66    329.902  122.794 8.0464  136.828 10.006  -14.03400      12.84010 
1 1 1 -10 21  29 o 70.116  6.1552  613.275    103.660  572.643    121.148  724.329    200.285  67.270  7.5527  73.910  11.546  -6.639519      13.79670 
1 1 1 -10 21  30 o 18.103  7.5060  12.532     54.054   12.532     54.054   0.0000     0.0000   18.103  7.5060  ?       ?       0.000000       7.506001 
1 1 1 -10 21  31 o 69.629  7.0310  611.640    117.161  611.640    117.161  0.0000     0.0000   69.629  7.0310  ?       ?       0.000000       7.031004 
1 1 1 -10 21  32 o 21.935  7.0049  59.381     42.084   -50.0899   77.206   105.657    50.197   17.427  8.0027  28.480  7.2462  -11.05370      10.79589 
1 1 1 -10 21  33 o 25.705  7.7956  84.640     52.854   96.857     84.920   76.915     67.527   28.426  9.9639  25.519  8.8885  2.907473       13.35227 
1 1 1 -10 21  34 o 91.495  6.5847  1055.42    145.204  1060.56    287.081  1053.65    168.323  86.207  14.220  90.789  7.7140  -4.582451      16.17801 
1 1 1 -10 21  35 o 54.461  7.5826  383.772    97.482   607.282    235.083  337.358    107.127  63.479  15.416  50.330  9.1075  13.14977       17.90537 
1 1 1 -10 21  36 f 43.142  6.4018  238.932    64.982   262.552    100.541  221.987    85.158   43.891  9.6990  40.609  8.8892  3.282261       13.15630 
1 1 1 -10 21  37 o 36.920  7.2152  179.250    62.318   302.421    98.075   95.844     80.705   47.473  8.8396  27.750  9.7142  19.72257       13.13409 
1 1 1 -10 21  38 o 27.895  9.4388  100.089    75.993   0.0000     0.0000   100.089    75.993   ?       ?       27.895  9.4388  0.000000       9.438763 
1 1 1 -10 21  39 o 18.054  7.3772  19.400     51.224   7.3005     86.078   26.034     63.739   21.307  9.1791  20.145  8.2301  1.161592       12.32844 
1 1 1 -10 21  40 o 63.632  5.3576  510.172    81.950   517.878    110.478  500.745    122.196  63.113  7.3521  61.431  8.4195  1.681839       11.17774 
1 1 1 -10 21  41 o 31.525  8.7739  135.029    69.576   141.927    86.485   122.373    117.139  32.215  10.009  31.320  11.605  0.8951931      15.32485 
1 1 1 -10 21  42 o 21.747  8.6097  40.612     67.441   51.722     79.186   11.270     128.686  23.715  9.3482  25.457  11.094  -1.741560      14.50714 
1 1 1 -10 21  43 o 22.346  8.9042  42.534     72.564   51.909     76.068   -52.2293   241.847  23.416  9.1840  30.565  14.083  -7.148672      16.81313 
1 1 1 -10 21  44 o 21.494  9.1669  15.611     84.281   22.870     88.397   -56.9262   279.434  22.358  9.4557  31.969  14.871  -9.610161      17.62253 
1 1 1 -10 22  1  o 21.185  6.4004  55.018     35.677   48.955     51.034   60.814     49.896   21.647  7.7109  22.967  7.6480  -1.319664      10.86047 
1 1 1 -10 22  2  o 168.872 4.4285  3467.09    181.458  3450.63    254.555  3484.10    258.738  168.296 6.2337  169.102 6.3059  -0.8059845     8.866972 
1 1 1 -10 22  3  o 46.179  4.3299  261.511    47.951   293.285    67.831   229.772    67.794   48.732  5.8537  42.905  6.7337  5.826370       8.922400 
1 1 1 -10 22  4  o 108.702 3.8106  1435.78    100.507  1443.33    141.432  1428.07    142.856  108.905 5.3522  108.184 5.4598  0.7203522      7.645642 
1 1 1 -10 22  5  o 139.605 4.1576  2368.90    140.836  2488.68    198.251  2246.86    200.105  142.973 5.7148  135.818 6.0721  7.154419       8.338371 
1 1 1 -10 22  6  o 66.201  4.0916  534.694    65.402   458.240    90.425   618.563    94.708   61.021  6.1930  71.073  5.5355  -10.05200      8.306353 
1 1 1 -10 22  7  o 300.559 6.5443  11011.01   477.265  10882.98   673.614  11140.06   676.303  298.094 9.3131  301.616 9.2411  -3.522186      13.11988 
1 1 1 -10 22  8  o 212.431 5.1419  5490.93    265.039  5461.82    373.651  5520.41    376.004  211.557 7.2791  212.687 7.2860  -1.130569      10.29904 
1 1 1 -10 22  9  o 30.499  6.6487  117.800    47.813   56.434     65.612   187.289    69.820   23.867  8.7112  38.483  7.7455  -14.61536      11.65663 
1 1 1 -10 22  10 o 272.217 8.6617  9068.23    572.112  8954.09    835.653  9168.93    784.905  269.130 12.797  272.697 11.862  -3.567047      17.44919 
1 1 1 -10 22  11 o 308.994 9.6075  11711.02   720.319  11292.96   1045.34  12089.00   993.966  301.443 14.292  312.477 13.110  -11.03381      19.39382 
1 1 1 -10 22  12 o 40.487  8.3123  207.810    78.924   63.917     139.707  275.259    95.649   31.088  12.365  46.668  8.7689  -15.57959      15.15891 
1 1 1 -10 22  13 o 163.801 6.4521  3272.83    256.440  3416.30    393.844  3167.24    337.876  166.490 9.7924  160.553 8.7057  5.937622       13.10264 
1 1 1 -10 22  14 o 122.174 4.1681  1815.26    123.562  1870.90    173.510  1758.01    176.002  123.895 5.7717  119.919 6.0685  3.976204       8.374958 
1 1 1 -10 22  15 o 116.087 4.1517  1639.17    116.944  1685.35    164.873  1592.41    165.898  117.568 5.7796  114.101 6.0135  3.466850       8.340580 
1 1 1 -10 22  16 o 164.331 4.5418  3287.39    181.096  3287.53    255.279  3287.24    256.945  164.057 6.4129  164.042 6.4554  0.1481628E-01  9.099303 
1 1 1 -10 22  17 o 60.970  4.5992  455.309    67.540   699.993    94.988   205.110    96.052   75.592  5.2106  39.978  9.9433  35.61385       11.22586 
1 1 1 -10 22  18 o 107.839 4.2325  1416.23    110.747  1426.09    156.826  1406.42    156.414  107.840 6.0174  107.087 6.0444  0.7533798      8.528996 
1 1 1 -10 22  19 o 51.966  4.8084  332.228    59.942   342.793    82.817   320.604    86.870   52.469  6.6548  50.582  7.2884  1.886494       9.869454 
1 1 1 -10 22  20 o 12.713  5.8208  -28.0493   40.434   -21.8780   51.385   -38.0839   65.524   15.185  6.7932  16.532  7.5077  -1.346194      10.12488 
1 1 1 -10 22  21 o 92.675  4.1844  1047.77    94.094   1158.17    134.279  941.259    131.891  97.038  5.7284  87.324  6.2664  9.713974       8.490112 
1 1 1 -10 22  22 o 180.372 4.8792  3980.71    213.539  4137.13    303.492  3827.35    300.510  183.139 6.8297  176.061 7.0345  7.078003       9.804529 
1 1 1 -10 22  23 o 107.180 4.2628  1403.84    110.860  1536.36    158.187  1275.93    155.410  111.619 5.8613  101.549 6.3389  10.06962       8.633421 
1 1 1 -10 22  24 o 20.756  7.1765  48.687     43.981   40.387     57.919   59.992     67.594   21.241  8.0968  24.099  8.8348  -2.858377      11.98380 
1 1 1 -10 22  25 o 64.743  4.7105  516.610    73.492   519.291    99.500   513.391    109.017  64.478  6.4462  63.898  7.1542  0.5803604      9.629969 
1 1 1 -10 22  26 o 54.282  6.9207  371.759    89.079   365.299    99.344   398.259    201.214  53.501  7.8896  53.368  14.945  0.1330109      16.89950 
1 1 1 -10 22  27 o 41.267  7.9961  220.408    77.174   234.548    83.389   136.026    203.708  42.488  8.3865  37.707  14.952  4.780693       17.14365 
1 1 1 -10 22  28 o 23.446  8.5338  58.522     62.906   24.301     69.637   210.296    146.654  21.083  8.6066  39.962  13.102  -18.87894      15.67635 
1 1 1 -10 22  29 o 15.497  6.9167  -19.4112   52.944   -19.4112   52.944   0.0000     0.0000   15.497  6.9167  ?       ?       0.000000       6.916735 
1 1 1 -10 22  30 o 82.645  6.7304  857.510    133.793  857.510    133.793  0.0000     0.0000   82.645  6.7304  ?       ?       0.000000       6.730381 
1 1 1 -10 22  31 o 18.014  7.1394  23.517     46.419   3.3947     81.100   33.321     56.609   20.885  8.9518  20.252  7.9282  0.6337643      11.95794 
1 1 1 -10 22  32 o 63.498  4.9878  501.095    76.230   552.172    113.128  458.613    103.171  65.863  7.1959  59.945  7.2399  5.918549       10.20769 
1 1 1 -10 22  33 o 60.411  6.9484  465.385    99.996   386.922    236.866  482.401    110.307  50.432  16.657  61.242  7.5855  -10.80973      18.30315 
1 1 1 -10 22  34 o 15.240  6.8802  -24.5103   54.065   -26.2189   196.663  -24.3706   56.232   29.455  13.225  15.598  7.0315  13.85671       14.97832 
1 1 1 -10 22  35 o 47.387  5.8324  285.090    65.645   298.203    100.466  275.321    86.717   47.085  9.1233  45.647  8.1273  1.437511       12.21828 
1 1 1 -10 22  36 o 53.473  5.5555  361.447    71.030   288.978    107.873  416.917    94.376   45.768  9.9939  56.839  6.9905  -11.07079      12.19613 
1 1 1 -10 22  37 o 55.699  7.5662  405.837    99.608   0.0000     0.0000   405.837    99.608   ?       ?       55.699  7.5662  0.000000       7.566173 
1 1 1 -10 22  38 o 22.534  8.2850  56.692     59.505   0.0000     0.0000   56.692     59.505   ?       ?       22.534  8.2850  0.000000       8.284978 
1 1 1 -10 22  39 o 12.506  5.8530  -40.5524   44.360   -23.6314   69.990   -51.9136   57.350   17.531  7.8790  14.159  6.6355  3.371533       10.30096 
1 1 1 -10 22  40 f 18.737  7.9060  11.674     61.571   19.737     80.022   -0.0262    96.397   21.435  9.0271  21.941  9.5803  -0.5059204     13.16325 
1 1 1 -10 22  41 o 51.309  6.2060  337.519    75.691   294.249    101.848  390.903    113.125  46.330  9.3817  53.813  8.9802  -7.483669      12.98698 
1 1 1 -10 22  42 o 40.347  9.3096  224.977    89.285   207.584    95.573   344.258    250.285  38.388  10.118  45.587  16.948  -7.198895      19.73874 
1 1 1 -10 22  43 o 35.816  9.8612  180.962    88.414   198.080    94.601   62.798     248.549  37.332  10.168  33.804  15.044  3.528591       18.15836 
1 1 1 -10 23  1  o 266.880 5.9035  8674.31    382.284  8817.46    537.994  8528.31    543.308  268.582 8.2554  264.087 8.4788  4.494537       11.83392 
1 1 1 -10 23  2  o 109.555 3.8360  1458.49    101.971  1436.53    142.626  1481.46    145.844  108.640 5.4106  110.323 5.4483  -1.683365      7.678447 
1 1 1 -10 23  3  o 176.943 4.4897  3806.90    192.758  3745.81    270.572  3869.85    274.677  175.321 6.3604  178.201 6.3525  -2.880066      8.989403 
1 1 1 -10 23  4  o 34.300  5.5725  146.879    44.785   167.741    61.409   123.178    65.456   36.451  7.1986  31.223  8.4389  5.228064       11.09213 
1 1 1 -10 23  5  o 136.756 4.1257  2273.30    136.900  2280.88    192.633  2265.57    194.595  136.856 5.8010  136.389 5.8801  0.4671326      8.260015 
1 1 1 -10 23  6  o 202.627 5.0301  4995.49    247.308  4987.18    348.080  5003.96    351.437  202.171 7.0957  202.501 7.1525  -0.3307037     10.07508 
1 1 1 -10 23  7  o 94.198  3.9625  1078.47    90.567   1110.91    126.948  1044.85    129.246  95.366  5.5096  92.444  5.7913  2.922516       7.993399 
1 1 1 -10 23  8  o 138.675 6.0327  2343.13    202.989  2253.78    313.618  2407.55    266.293  135.230 9.6207  140.144 7.8628  -4.913956      12.42506 
1 1 1 -10 23  9  o 189.644 6.8720  4388.25    316.218  4355.94    474.230  4414.12    424.320  187.968 10.439  189.771 9.2151  -1.803406      13.92439 
1 1 1 -10 23  10 o 44.104  7.9579  245.025    82.028   258.746    149.046  239.063    98.246   45.161  12.938  43.309  9.6011  1.852016       16.11137 
1 1 1 -10 23  11 o 167.888 6.5512  3438.80    266.874  3246.85    404.583  3586.65    355.078  162.146 10.337  171.123 8.5517  -8.976212      13.41607 
1 1 1 -10 23  12 o 58.212  6.7093  419.042    93.032   484.675    160.320  385.721    114.232  61.786  11.102  55.432  8.7860  6.353458       14.15789 
1 1 1 -10 23  13 o 117.580 4.1392  1681.51    118.091  1647.39    165.859  1716.59    168.176  116.081 5.9081  118.652 5.8415  -2.570793      8.308411 
1 1 1 -10 23  14 o 91.333  4.0296  1014.65    89.300   975.439    124.602  1056.06    128.046  89.243  5.7854  92.884  5.7091  -3.640282      8.128036 
1 1 1 -10 23  15 o 75.070  4.2013  687.964    76.220   756.797    107.415  618.159    108.171  78.557  5.6735  70.849  6.3601  7.707794       8.522896 
1 1 1 -10 23  16 o 146.867 4.2304  2626.24    150.756  2444.36    212.277  2811.32    214.139  141.404 6.1870  151.714 5.8171  -10.31015      8.492164 
1 1 1 -10 23  17 o 36.973  6.1165  171.580    52.954   138.177    69.563   217.610    81.658   32.876  8.6161  41.295  8.4348  -8.419388      12.05744 
1 1 1 -10 23  18 o 113.929 4.1784  1581.83    115.506  1600.72    161.453  1562.03    165.316  114.215 5.8454  112.774 6.0637  1.440933       8.422417 
1 1 1 -10 23  19 o 63.701  4.6027  497.912    70.663   509.862    97.867   484.895    102.136  64.139  6.3729  62.429  6.8554  1.709949       9.360054 
1 1 1 -10 23  20 f 78.534  4.3380  755.219    82.342   830.444    116.575  680.320    116.323  82.055  5.8944  74.080  6.5385  7.974609       8.803192 
1 1 1 -10 23  21 o 20.025  7.3222  40.486     46.389   -12.3318   63.581   100.603    67.832   17.744  7.7634  28.425  8.8698  -10.68056      11.78745 
1 1 1 -10 23  22 o 48.649  4.9619  293.010    57.752   310.859    81.005   274.558    82.360   49.679  6.9070  46.462  7.5659  3.216572       10.24447 
1 1 1 -10 23  23 o 34.608  6.3501  152.426    51.359   152.594    72.624   152.257    72.641   34.224  8.7204  34.187  8.7272  0.3766632E-01  12.33733 
1 1 1 -10 23  24 o 22.356  7.3574  59.948     46.225   33.915     64.560   87.335     66.217   21.341  8.4318  26.767  8.8056  -5.425646      12.19152 
1 1 1 -10 23  25 o 76.654  6.2339  732.176    114.942  704.342    132.248  818.140    232.411  74.779  7.3852  78.064  12.707  -3.285492      14.69723 
1 1 1 -10 23  26 o 81.893  6.1847  835.536    121.987  789.210    141.151  972.238    242.471  79.115  7.4403  85.484  12.022  -6.369293      14.13820 
1 1 1 -10 23  27 o 32.184  8.4128  135.600    66.432   101.582    73.619   284.751    154.152  28.531  9.2798  45.509  13.193  -16.97739      16.12975 
1 1 1 -10 23  28 o 38.141  8.3771  190.626    75.405   190.626    75.405   0.0000     0.0000   38.141  8.3771  ?       ?       0.000000       8.377080 
1 1 1 -10 23  29 o 137.547 7.0247  2374.64    233.663  2374.64    233.663  0.0000     0.0000   137.547 7.0247  ?       ?       0.000000       7.024656 
1 1 1 -10 23  30 o 31.382  7.7461  129.206    58.625   216.422    93.192   72.086     75.418   40.190  9.6731  25.603  9.3402  14.58739       13.44655 
1 1 1 -10 23  31 o 21.104  7.6215  48.524     50.033   30.745     78.631   60.620     64.857   22.401  9.1452  23.650  8.6565  -1.249262      12.59242 
1 1 1 -10 23  32 o 101.011 6.6843  1288.98    162.901  1237.59    320.987  1306.80    189.057  92.322  14.831  101.014 7.7731  -8.691444      16.74469 
1 1 1 -10 23  33 o 15.969  7.1909  -24.2695   58.621   106.094    216.167  -34.6174   60.903   35.458  14.880  15.718  7.1767  19.74049       16.52009 
1 1 1 -10 23  34 o 20.202  7.4752  42.905     48.574   41.246     85.337   43.701     59.078   23.596  9.5670  21.310  8.1645  2.285645       12.57720 
1 1 1 -10 23  35 o 50.002  5.7685  317.715    68.703   273.789    106.151  349.380    90.125   44.430  10.078  51.757  7.3860  -7.327099      12.49481 
1 1 1 -10 23  36 o 15.910  7.1278  -19.2104   56.796   0.0000     0.0000   -19.2104   56.796   ?       ?       15.910  7.1278  0.000000       7.127793 
1 1 1 -10 23  37 o 49.583  8.1591  327.743    94.746   0.0000     0.0000   327.743    94.746   ?       ?       49.583  8.1591  0.000000       8.159052 
1 1 1 -10 23  38 o 23.170  8.0967  65.099     56.054   80.112     89.851   55.533     71.724   26.665  10.104  23.356  8.9846  3.308456       13.52066 
1 1 1 -10 23  39 o 14.145  6.6582  -56.9677   58.837   13.068     80.404   -137.7059  86.329   21.007  8.9562  15.112  7.3552  5.895168       11.58930 
1 1 1 -10 23  40 o 77.891  5.1956  762.307    97.632   682.691    131.831  859.015    145.294  72.275  7.6329  81.275  7.4505  -9.000610      10.66636 
1 1 1 -10 23  41 o 68.259  7.3564  607.847    119.915  579.268    133.801  724.495    270.318  65.816  8.5827  65.584  16.886  0.2326431      18.94187 
1 1 1 -10 23  42 o 43.935  9.0492  266.181    93.256   245.193    99.858   409.363    260.816  41.603  10.013  47.913  17.386  -6.310810      20.06348 
1 1 1 -10 24  1  o 190.803 4.7965  4428.36    222.061  4463.55    311.644  4392.06    316.495  191.319 6.7133  189.757 6.8739  1.561783       9.608298 
1 1 1 -10 24  2  o 129.487 4.1590  2038.21    130.671  2044.00    182.756  2032.16    186.908  129.548 5.8140  129.159 5.9640  0.3888245      8.328974 
1 1 1 -10 24  3  o 178.654 4.6126  3881.75    199.949  3961.77    281.243  3799.98    284.324  180.276 6.4295  176.529 6.6379  3.747208       9.241274 
1 1 1 -10 24  4  o 253.059 5.7658  7799.56    354.037  7583.75    498.279  8019.58    503.123  249.029 8.2463  256.121 8.0959  -7.092346      11.55616 
1 1 1 -10 24  5  o 124.851 4.0846  1894.86    123.740  1860.15    173.721  1930.61    176.296  123.578 5.7936  125.899 5.7711  -2.320541      8.177481 
1 1 1 -10 24  6  o 152.154 6.2050  2821.79    229.082  2601.34    350.337  2986.45    302.782  145.220 10.004  156.086 8.0218  -10.86653      12.82265 
1 1 1 -10 24  7  o 228.178 7.6760  6362.76    424.986  6124.28    625.707  6566.99    579.043  222.529 11.629  231.133 10.325  -8.603577      15.55086 
1 1 1 -10 24  8  o 85.077  5.8167  885.990    119.355  736.445    193.949  977.146    151.424  76.641  10.723  89.189  7.0547  -12.54756      12.83559 
1 1 1 -10 24  9  o 10.384  5.1984  -156.3058  55.422   -134.6159  114.368  -162.9624  63.359   19.348  9.1599  11.480  5.7178  7.867634       10.79807 
1 1 1 -10 24  10 o 92.102  5.7631  1037.89    128.145  1393.72    209.079  823.802    162.177  106.385 8.1618  81.602  8.3065  24.78302       11.64535 
1 1 1 -10 24  11 o 168.615 4.6452  3460.25    190.048  3303.69    267.385  3620.08    270.173  164.475 6.7000  172.210 6.4658  -7.734741      9.311077 
1 1 1 -10 24  12 o 95.704  4.0471  1114.09    93.982   1076.97    131.617  1152.71    134.242  93.790  5.8121  97.056  5.7257  -3.266304      8.158701 
1 1 1 -10 24  13 o 56.836  4.5238  395.752    61.870   392.649    84.307   399.373    91.081   56.358  6.2715  56.763  6.7450  -0.4046097     9.210171 
1 1 1 -10 24  14 o 137.510 4.3104  2302.21    143.818  2379.75    202.092  2222.66    204.712  139.580 5.9671  134.850 6.2565  4.730835       8.645776 
1 1 1 -10 24  15 o 151.433 4.4479  2794.00    163.432  2758.49    229.882  2830.30    232.393  150.144 6.3101  152.088 6.2974  -1.944458      8.914847 
1 1 1 -10 24  16 o 53.284  4.6470  348.869    59.480   354.655    82.302   342.542    86.058   53.413  6.4832  52.387  6.9411  1.026081       9.497949 
1 1 1 -10 24  17 o 107.040 4.1746  1396.78    108.423  1333.87    151.305  1463.19    155.446  104.164 6.0120  109.140 5.8917  -4.975632      8.417649 
1 1 1 -10 24  18 o 88.412  4.1516  953.481    89.062   897.774    123.634  1013.57    128.408  85.335  6.0094  90.730  5.8642  -5.394653      8.396490 
1 1 1 -10 24  19 o 96.669  4.2132  1140.88    98.824   1144.39    136.248  1136.98    143.553  96.367  5.8547  95.964  6.1983  0.4030304      8.526156 
1 1 1 -10 24  20 o 69.452  4.3581  591.883    73.070   516.963    100.382  676.325    106.570  64.425  6.5108  73.905  5.9945  -9.479919      8.850140 
1 1 1 -10 24  21 o 93.391  4.1925  1066.32    95.004   1064.72    134.031  1067.94    134.683  92.768  5.9864  92.903  6.0069  -0.1347885     8.480563 
1 1 1 -10 24  22 o 80.179  4.2960  789.058    83.272   809.656    118.441  768.923    117.100  80.757  6.0893  78.659  6.1853  2.097595       8.679737 
1 1 1 -10 24  23 o 66.971  4.5673  552.527    73.776   610.565    104.237  494.272    104.432  69.985  6.2027  62.679  6.9856  7.305859       9.341892 
1 1 1 -10 24  24 o 158.149 6.6467  3108.81    255.056  3299.98    329.142  2821.47    403.525  161.578 8.4245  146.935 11.408  14.64288       14.18127 
1 1 1 -10 24  25 o 172.381 6.9154  3705.36    289.247  3686.12    370.900  3735.23    462.082  170.125 9.0173  168.965 11.337  1.159698       14.48554 
1 1 1 -10 24  26 o 45.538  7.4150  265.904    79.112   258.893    89.648   290.585    168.195  44.537  8.6071  45.806  13.910  -1.268559      16.35747 
1 1 1 -10 24  27 o 85.013  7.0841  910.294    144.798  910.294    144.798  0.0000     0.0000   85.013  7.0841  ?       ?       0.000000       7.084071 
1 1 1 -10 24  28 o 71.077  7.6159  643.151    129.301  643.151    129.301  0.0000     0.0000   71.077  7.6159  ?       ?       0.000000       7.615948 
1 1 1 -10 24  29 o 25.708  7.9009  84.358     54.055   105.708    99.251   75.354     64.452   29.934  10.744  25.168  8.6884  4.766079       13.81724 
1 1 1 -10 24  30 o 44.038  6.0398  246.113    62.837   281.775    93.666   216.927    84.735   46.205  8.6732  40.344  8.8954  5.861233       12.42387 
1 1 1 -10 24  31 o 44.590  8.5192  263.334    88.812   741.079    238.695  186.568    95.682   71.362  14.284  36.947  10.291  34.41526       17.60492 
1 1 1 -10 24  32 o 49.274  7.6590  316.716    88.597   257.854    242.393  325.793    95.183   42.890  16.512  49.761  8.1668  -6.870972      18.42103 
1 1 1 -10 24  33 o 49.459  5.9338  311.222    69.789   432.237    105.727  217.780    92.904   57.532  7.7727  39.786  9.7092  17.74644       12.43721 
1 1 1 -10 24  34 o 87.630  4.8630  958.388    102.994  963.911    147.498  953.133    143.880  86.552  7.0855  86.162  6.9409  0.3894348      9.918664 
1 1 1 -10 24  35 o 12.477  5.7761  -31.5654   41.398   0.0000     0.0000   -31.5654   41.398   ?       ?       12.477  5.7761  0.000000       5.776104 
1 1 1 -10 24  36 o 40.105  8.8730  220.320    84.057   0.0000     0.0000   220.320    84.057   ?       ?       40.105  8.8730  0.000000       8.873024 
1 1 1 -10 24  37 o 19.378  7.5777  33.271     51.669   54.309     88.794   22.500     63.534   24.577  9.8309  19.766  8.1619  4.810911       12.77748 
1 1 1 -10 24  38 o 43.618  7.0928  249.807    72.487   201.906    101.966  298.745    103.065  37.639  10.673  46.545  9.4486  -8.905827      14.25480 
1 1 1 -10 24  39 o 68.137  5.5362  587.351    90.736   567.798    123.997  609.891    133.131  65.598  7.9529  67.802  8.2633  -2.203682      11.46867 
1 1 1 -10 24  40 o 24.438  9.5047  60.744     80.955   81.415     85.936   -102.2327  241.298  26.456  9.9123  29.032  13.607  -2.576256      16.83485 
1 1 1 -10 24  41 o 40.998  9.7139  236.983    95.150   217.176    102.230  365.309    260.210  38.804  10.571  45.587  17.213  -6.782703      20.20008 
1 1 1 -10 25  1  f 44.914  4.8514  248.265    52.030   282.937    70.657   207.193    76.902   47.781  6.2438  40.459  8.1160  7.322269       10.23984 
1 1 1 -10 25  2  o 104.687 3.9286  1332.09    99.791   1266.95    139.516  1400.33    142.791  101.836 5.6687  107.098 5.5136  -5.261490      7.907825 
1 1 1 -10 25  3  o 140.016 6.0610  2389.19    205.913  1938.17    315.003  2725.72    272.096  125.133 10.471  149.182 7.5414  -24.04909      12.90409 
1 1 1 -10 25  4  o 172.430 6.5091  3626.27    272.330  3536.11    409.245  3697.92    364.836  169.382 10.002  173.774 8.6526  -4.392441      13.22522 
1 1 1 -10 25  5  o 125.621 5.7762  1922.68    176.063  1966.04    273.561  1892.03    230.038  126.341 8.9822  124.183 7.6720  2.158279       11.81270 
1 1 1 -10 25  6  o 160.213 6.3201  3130.41    245.689  3096.66    374.600  3155.89    325.471  158.479 9.7896  160.331 8.3955  -1.852127      12.89651 
1 1 1 -10 25  7  o 130.329 5.9026  2070.47    186.660  1967.61    290.641  2142.67    243.520  126.221 9.5608  132.159 7.6265  -5.937752      12.22998 
1 1 1 -10 25  8  o 152.940 6.2564  2853.49    232.171  2881.34    356.823  2833.04    305.743  152.806 9.6738  151.846 8.3301  0.9600067      12.76605 
1 1 1 -10 25  9  f 127.021 4.1798  1962.51    128.822  1983.67    180.684  1940.64    183.716  127.546 5.8384  126.137 6.0026  1.408997       8.373645 
1 1 1 -10 25  10 o 120.225 4.1200  1758.30    120.187  1714.18    169.262  1803.17    170.687  118.541 5.8847  121.591 5.7854  -3.049324      8.252338 
1 1 1 -10 25  11 o 23.643  7.5006  67.295     48.313   87.451     70.801   49.730     66.092   27.377  9.1100  23.214  8.6938  4.162739       12.59266 
1 1 1 -10 25  12 o 45.634  5.0444  256.907    54.921   310.279    76.024   198.648    79.428   49.979  6.4173  39.455  8.5442  10.52429       10.68575 
1 1 1 -10 25  13 o 69.949  4.2215  597.966    71.315   544.065    99.287   655.409    102.498  66.412  6.2344  73.013  5.8344  -6.600647      8.538569 
1 1 1 -10 25  14 o 51.783  4.8717  329.980    60.492   258.911    83.182   409.755    88.129   45.243  7.8625  57.490  6.4278  -12.24627      10.15559 
1 1 1 -10 25  15 o 251.126 5.8961  7721.66    359.267  7674.60    506.792  7769.20    509.379  249.198 8.3815  250.734 8.3727  -1.535965      11.84697 
1 1 1 -10 25  16 o 106.826 4.5612  1393.11    118.228  1297.16    187.627  1456.31    152.258  102.247 7.6174  108.867 5.7847  -6.619873      9.564897 
1 1 1 -10 25  17 o 16.520  6.7734  11.725     43.366   -15.5954   58.502   45.048     64.609   16.764  7.3875  22.482  8.5560  -5.717619      11.30396 
1 1 1 -10 25  18 o 49.563  4.8467  303.465    57.541   273.623    77.906   339.283    85.352   46.541  7.1256  51.977  6.9410  -5.435719      9.947454 
1 1 1 -10 25  19 o 37.557  5.9615  177.766    52.512   201.371    71.660   150.391    77.171   39.605  7.7344  34.027  9.1489  5.578499       11.98015 
1 1 1 -10 25  20 o 24.142  7.2659  73.222     46.043   85.169     62.075   58.609     68.651   26.351  8.5172  24.039  8.8884  2.312056       12.31041 
1 1 1 -10 25  21 o 103.047 4.1866  1299.69    104.679  1317.00    147.141  1281.94    148.953  103.124 5.9050  101.681 6.0649  1.443550       8.464761 
1 1 1 -10 25  22 o 59.103  6.1794  436.982    87.308   415.449    103.698  489.411    161.811  57.151  7.6717  60.585  11.426  -3.433796      13.76280 
1 1 1 -10 25  23 o 67.675  6.1434  572.070    99.780   650.192    120.359  400.380    178.430  71.891  6.9882  53.640  13.670  18.25134       15.35226 
1 1 1 -10 25  24 o 78.118  5.9040  759.894    111.081  819.814    134.411  630.799    197.289  80.774  6.9250  68.235  12.372  12.53864       14.17780 
1 1 1 -10 25  25 o 63.272  6.3449  502.475    96.097   565.632    113.289  340.454    181.451  66.900  7.0870  49.133  14.334  17.76662       15.99001 
1 1 1 -10 25  26 o 64.045  8.0634  525.849    122.527  525.849    122.527  0.0000     0.0000   64.045  8.0634  ?       ?       0.000000       8.063358 
1 1 1 -10 25  27 o 74.131  7.5085  699.092    133.194  699.092    133.194  0.0000     0.0000   74.131  7.5085  ?       ?       0.000000       7.508481 
1 1 1 -10 25  28 o 75.117  4.9524  700.008    89.758   904.411    136.033  542.398    119.452  84.700  6.6731  65.031  7.7210  19.66850       10.20513 
1 1 1 -10 25  29 o 70.042  6.1442  617.757    103.366  873.361    259.170  569.407    112.718  77.943  14.228  66.837  7.0572  11.10677       15.88215 
1 1 1 -10 25  30 o ?       ?       -146.1924  37.216   -98.0070   199.196  -147.9352  37.883   27.390  12.677  ?       ?       0.000000       12.67680 
1 1 1 -10 25  31 o 29.932  8.9773  119.459    70.378   240.689    224.306  106.222    74.121   41.593  15.915  28.584  9.3121  13.00867       18.43921 
1 1 1 -10 25  32 o 46.596  5.9750  277.133    65.998   344.998    101.664  227.700    86.767   50.885  8.5364  40.953  8.9793  9.931950       12.38945 
1 1 1 -10 25  33 o 39.294  7.1783  203.308    65.919   294.295    98.226   128.755    88.914   46.548  9.0226  30.943  10.205  15.60461       13.62157 
1 1 1 -10 25  34 o 30.915  8.6373  130.333    67.291   -133.3722  206.816  161.556    71.163   26.293  12.408  34.381  8.5627  -8.088097      15.07613 
1 1 1 -10 25  35 o 43.647  9.0569  261.681    92.776   0.0000     0.0000   261.681    92.776   ?       ?       43.647  9.0569  0.000000       9.056907 
1 1 1 -10 25  36 f 33.350  7.9947  150.866    63.853   276.116    98.950   61.496     83.585   44.638  9.4314  24.686  9.6422  19.95149       13.48786 
1 1 1 -10 25  37 o 32.408  8.0716  142.672    63.233   0.6135     86.780   303.472    92.327   20.872  9.1024  47.494  8.3146  -26.62223      12.32828 
1 1 1 -10 25  38 o 22.651  8.3764  57.483     60.974   139.359    81.301   -47.7721   92.180   31.751  9.6773  19.047  8.7459  12.70415       13.04381 
1 1 1 -10 25  39 o 26.391  9.8387  82.132     84.457   113.850    89.635   -168.8577  252.145  29.369  10.240  28.056  13.373  1.312744       16.84355 
1 1 1 -10 25  40 o 29.574  9.6535  119.622    79.642   143.135    84.043   -87.3676   249.359  31.947  9.8573  29.465  13.817  2.482327       16.97303 
1 1 1 -10 25  41 o 29.637  8.1574  121.081    60.511   85.605     79.572   169.730    93.182   26.185  9.5877  34.242  10.343  -8.057154      14.10351 
1 1 1 -10 26  1  o 192.828 6.8925  4538.46    322.487  4436.09    476.330  4625.09    438.185  189.641 10.391  194.179 9.3002  -4.538086      13.94533 
1 1 1 -10 26  2  o 177.703 6.5934  3852.79    284.293  3816.75    422.370  3882.64    384.409  175.974 9.9325  177.755 8.9412  -1.780350      13.36413 
1 1 1 -10 26  3  o 180.169 6.7287  3961.83    294.155  3624.07    438.554  4238.05    396.598  171.247 10.607  185.952 8.7899  -14.70500      13.77549 
1 1 1 -10 26  4  o 107.677 5.6808  1416.68    147.895  1406.59    233.268  1423.45    191.247  106.702 9.0967  107.676 7.3642  -0.9742813     11.70392 
1 1 1 -10 26  5  o 185.402 6.7673  4197.05    304.433  4226.89    456.395  4173.13    408.621  185.040 10.205  184.389 9.1332  0.6502228      13.69479 
1 1 1 -10 26  6  o 168.758 6.4596  3476.14    264.507  3615.34    402.169  3370.02    351.140  171.186 9.7223  165.516 8.7747  5.670380       13.09651 
1 1 1 -10 26  7  o 116.679 4.0556  1655.80    114.819  1759.31    161.831  1550.88    162.931  120.139 5.5515  112.599 5.9850  7.539963       8.163328 
1 1 1 -10 26  8  o 67.176  4.1529  551.076    67.359   630.369    94.355   468.667    96.191   71.705  5.4643  61.603  6.5352  10.10207       8.518618 
1 1 1 -10 26  9  o 115.969 4.1501  1636.47    116.779  1554.53    164.471  1719.79    165.838  112.684 6.0373  118.722 5.7569  -6.038300      8.342137 
1 1 1 -10 26  10 o 75.051  4.5520  688.502    82.502   698.357    128.469  681.584    107.628  75.187  7.1271  74.466  6.0079  0.7210236      9.321456 
1 1 1 -10 26  11 f 84.989  4.1000  879.354    84.550   864.668    118.262  894.709    120.926  83.929  5.8437  85.376  5.8731  -1.447250      8.285063 
1 1 1 -10 26  12 o 21.263  7.3116  50.643     45.622   120.828    60.713   -40.3929   69.145   30.769  8.0423  16.989  7.7142  13.78032       11.14393 
1 1 1 -10 26  13 o 151.186 4.4522  2787.25    163.322  2781.09    230.155  2793.49    231.799  150.636 6.2969  150.964 6.3281  -0.3277283     8.927294 
1 1 1 -10 26  14 o 60.037  4.4377  442.150    64.188   450.425    89.756   433.487    91.831   60.284  6.2258  59.068  6.5157  1.216274       9.011941 
1 1 1 -10 26  15 o 151.627 5.0414  2812.35    185.479  2842.16    301.090  2794.12    235.460  151.187 8.2387  150.746 6.4374  0.4410095      10.45545 
1 1 1 -10 26  16 o 84.374  4.5259  872.567    92.320   902.430    144.167  851.809    120.197  85.207  7.0361  83.040  6.0059  2.166252       9.250847 
1 1 1 -10 26  17 o 84.725  4.1976  877.113    86.293   783.589    120.007  977.242    124.173  79.499  6.2722  88.967  5.7836  -9.468361      8.531734 
1 1 1 -10 26  18 o 55.330  4.7659  377.876    63.360   413.036    85.522   335.098    94.333   57.532  6.2257  51.320  7.8229  6.211895       9.997834 
1 1 1 -10 26  19 o 85.444  4.2056  893.412    87.190   877.289    120.802  910.945    125.972  84.106  5.9580  85.668  6.1002  -1.561684      8.527010 
1 1 1 -10 26  20 o 89.649  4.2932  984.617    93.388   979.494    129.414  990.182    134.899  88.801  6.0421  89.206  6.2722  -0.4057083     8.709076 
1 1 1 -10 26  21 o 42.639  7.6800  234.246    76.535   223.330    87.811   268.749    156.111  41.224  9.0288  44.361  13.385  -3.137177      16.14570 
1 1 1 -10 26  22 o 16.829  7.1593  2.5423     51.172   -6.1775    57.348   36.611     113.356  17.113  7.4320  26.316  10.887  -9.202866      13.18201 
1 1 1 -10 26  23 o 51.393  6.8278  334.977    83.036   374.359    98.398   237.550    154.767  54.070  7.7192  41.864  13.440  12.20599       15.49905 
1 1 1 -10 26  24 o 70.404  4.5111  611.688    76.657   638.967    105.534  581.218    111.534  71.456  6.1466  67.869  6.8674  3.587318       9.216347 
1 1 1 -10 26  25 o 89.383  4.9244  988.152    106.388  1077.92    140.673  868.206    162.612  92.821  6.2830  82.350  8.2491  10.47125       10.36934 
1 1 1 -10 26  26 o 54.283  8.6653  384.644    110.295  384.644    110.295  0.0000     0.0000   54.283  8.6653  ?       ?       0.000000       8.665273 
1 1 1 -10 26  27 o 37.264  9.7628  187.473    89.333   192.631    99.713   166.502    201.079  37.634  10.514  38.119  14.937  -0.4846230     18.26630 
1 1 1 -10 26  28 o 12.616  5.8487  -34.3650   42.661   -185.6935  156.897  -22.2839   44.331   21.631  10.375  13.714  6.2070  7.917752       12.09007 
1 1 1 -10 26  29 o 66.870  6.7605  570.362    108.186  729.127    233.007  526.731    122.150  70.561  14.102  63.574  8.1029  6.987751       16.26462 
1 1 1 -10 26  30 o 55.879  7.3337  404.799    97.033   320.637    225.976  423.825    107.443  45.603  16.228  56.859  8.0098  -11.25589      18.09691 
1 1 1 -10 26  31 o 43.289  6.2612  241.174    63.855   282.084    99.705   212.726    83.144   45.451  9.3527  39.546  8.8821  5.905651       12.89823 
1 1 1 -10 26  32 o 37.584  6.9244  185.712    60.820   183.589    95.488   187.161    78.892   36.111  10.359  36.940  8.9059  -0.8286247     13.66092 
1 1 1 -10 26  33 o 26.304  8.5063  90.905     61.911   19.312     215.262  97.361     64.642   31.064  13.900  27.102  8.6844  3.962372       16.38980 
1 1 1 -10 26  34 o 35.174  9.3426  172.644    81.082   0.0000     0.0000   172.644    81.082   ?       ?       35.174  9.3426  0.000000       9.342610 
1 1 1 -10 26  35 o 21.698  7.9623  53.118     54.922   151.766    91.577   -2.2934    68.635   32.887  10.313  18.558  8.0941  14.32924       13.11014 
1 1 1 -10 26  36 o 26.921  8.8228  95.699     66.500   77.091     90.872   117.154    97.576   26.353  10.119  29.900  10.661  -3.546078      14.69855 
1 1 1 -10 26  37 o 56.269  6.2185  407.138    83.483   365.818    113.115  456.572    123.723  51.525  9.3938  57.880  9.1108  -6.355297      13.08621 
1 1 1 -10 26  38 o 45.186  9.9949  288.382    106.679  265.580    115.914  414.609    272.726  42.672  11.093  47.815  17.709  -5.142578      20.89596 
1 1 1 -10 26  39 o 45.407  9.9101  292.454    106.118  289.131    115.084  311.325    274.231  44.585  10.761  42.672  17.203  1.913269       20.29138 
1 1 1 -10 26  40 o 32.254  8.8240  146.120    71.057   167.487    90.203   111.177    115.351  34.018  10.154  29.615  11.394  4.403452       15.26190 
1 1 1 -10 27  1  o 47.880  7.3284  286.511    82.429   321.340    140.815  268.355    101.668  50.007  11.796  45.930  9.4383  4.076546       15.10741 
1 1 1 -10 27  2  f 65.313  6.1618  524.875    96.496   641.872    157.232  454.181    122.220  71.732  9.2491  60.282  8.5996  11.44938       12.62929 
1 1 1 -10 27  3  o 192.783 7.0103  4541.31    327.920  4147.22    486.941  4868.35    443.584  182.957 11.020  199.096 9.1823  -16.13893      14.34443 
1 1 1 -10 27  4  o 232.472 7.7601  6616.38    437.727  6570.15    642.412  6656.44    598.046  230.420 11.490  232.263 10.612  -1.843353      15.64089 
1 1 1 -10 27  5  o 110.817 4.0023  1493.63    107.616  1530.19    150.594  1455.47    153.843  112.035 5.5397  109.084 5.8335  2.951408       8.044757 
1 1 1 -10 27  6  f 45.116  5.0562  251.054    54.398   364.153    76.316   134.237    77.560   54.318  5.8845  32.633  9.3280  21.68443       11.02898 
1 1 1 -10 27  7  o 87.530  3.9831  932.110    84.595   884.580    118.509  981.491    120.795  84.945  5.7842  89.527  5.5887  -4.581970      8.043045 
1 1 1 -10 27  8  o 86.849  4.0159  917.898    84.629   861.699    118.781  975.837    120.606  83.801  5.8788  89.248  5.5977  -5.446831      8.117602 
1 1 1 -10 27  9  f 83.672  4.5059  855.378    91.142   991.995    144.629  765.385    117.383  89.769  6.6880  78.880  6.1825  10.88854       9.107822 
1 1 1 -10 27  10 o 168.504 4.6232  3461.62    189.025  3416.26    266.493  3507.56    268.158  166.980 6.5774  169.208 6.5314  -2.228271      9.269403 
1 1 1 -10 27  11 o 96.278  4.0159  1129.19    93.815   1061.52    131.419  1199.51    133.967  92.955  5.8566  98.883  5.6066  -5.928291      8.107666 
1 1 1 -10 27  12 o 95.138  4.0401  1103.19    93.263   1068.08    130.139  1140.27    133.723  93.212  5.7826  96.329  5.7473  -3.117310      8.152913 
1 1 1 -10 27  13 o 74.416  4.1219  677.500    74.136   627.149    102.775  732.121    107.044  71.247  6.0009  77.067  5.7662  -5.820068      8.322258 
1 1 1 -10 27  14 o 70.992  4.6419  618.674    79.518   642.393    121.795  601.052    104.981  71.801  7.0832  69.630  6.2813  2.171440       9.467174 
1 1 1 -10 27  15 o 67.817  4.2483  564.107    69.553   551.372    96.305   577.993    100.560  66.680  6.0171  68.254  6.1376  -1.573769      8.595146 
1 1 1 -10 27  16 o 154.984 4.6231  2941.34    173.853  2980.48    245.667  2902.08    246.065  155.303 6.5193  153.204 6.6194  2.099442       9.290707 
1 1 1 -10 27  17 o 80.620  4.2443  797.487    82.734   762.304    114.470  835.966    119.712  78.357  6.0681  82.080  6.0536  -3.723320      8.571289 
1 1 1 -10 27  18 o 112.473 4.2399  1549.11    115.708  1521.31    160.786  1578.97    166.643  110.790 6.0035  112.834 6.1095  -2.043694      8.565506 
1 1 1 -10 27  19 o 69.208  4.4578  589.936    74.461   615.964    103.133  561.596    107.616  70.273  6.1093  66.883  6.7223  3.389847       9.083683 
1 1 1 -10 27  20 o 40.628  7.8929  214.097    75.005   240.798    84.893   119.087    160.138  42.976  8.4422  34.404  13.372  8.572147       15.81362 
1 1 1 -10 27  21 o 31.001  8.6626  125.763    67.680   161.059    75.351   -21.5830   153.957  34.926  8.8736  26.996  11.936  7.930239       14.87290 
1 1 1 -10 27  22 o 51.461  6.7117  335.719    81.812   363.311    94.763   254.965    162.118  53.281  7.5406  43.076  13.748  10.20485       15.67995 
1 1 1 -10 27  23 o 65.504  4.5533  530.296    71.921   582.980    100.981  476.059    102.458  68.190  6.1700  61.270  7.0184  6.920094       9.344862 
1 1 1 -10 27  24 o 19.037  8.6536  -43.8232   87.315   -93.6511   120.281  11.687     126.954  20.861  9.7215  25.987  11.171  -5.125546      14.80870 
1 1 1 -10 27  25 o 62.833  7.0388  502.354    105.468  502.354    105.468  0.0000     0.0000   62.833  7.0388  ?       ?       0.000000       7.038821 
1 1 1 -10 27  26 o 26.327  9.9542  72.350     87.090   72.350     87.090   0.0000     0.0000   26.327  9.9542  ?       ?       0.000000       9.954180 
1 1 1 -10 27  27 o 40.241  8.3938  215.344    79.306   340.139    184.712  187.140    87.811   47.820  14.589  37.087  9.6615  10.73286       17.49829 
1 1 1 -10 27  28 o 54.642  7.3397  386.615    94.851   673.774    205.963  309.320    106.856  68.595  12.847  47.760  9.5545  20.83533       16.01019 
1 1 1 -10 27  29 o 71.891  6.6279  660.444    114.312  585.347    233.916  684.005    131.023  60.952  15.716  72.642  7.5436  -11.69030      17.43230 
1 1 1 -10 27  30 o 26.500  7.9438  92.949     55.117   50.479     91.267   117.330    69.151   24.605  9.9227  29.511  8.9095  -4.905840      13.33561 
1 1 1 -10 27  31 o 30.997  7.4414  128.870    55.259   134.397    87.641   125.222    71.193   31.334  10.119  30.298  9.0160  1.035862       13.55334 
1 1 1 -10 27  32 o 45.041  7.1149  267.033    75.175   365.773    216.584  253.508    80.158   46.719  15.934  43.490  7.8867  3.229488       17.77898 
1 1 1 -10 27  33 o 33.666  9.7074  159.348    83.661   0.0000     0.0000   159.348    83.661   ?       ?       33.666  9.7074  0.000000       9.707438 
1 1 1 -10 27  34 o 18.685  7.4785  27.107     51.416   37.487     89.930   22.067     62.669   23.370  9.6852  19.558  8.0935  3.812614       12.62170 
1 1 1 -10 27  35 o 18.286  8.0235  -5.6850    68.345   -41.5640   85.651   57.204     113.396  18.498  8.4705  26.413  10.905  -7.914795      13.80835 
1 1 1 -10 27  36 o 29.202  8.9168  116.448    68.978   162.550    87.609   41.257     111.885  33.925  9.9779  25.381  10.681  8.543741       14.61630 
1 1 1 -10 27  37 o 24.808  9.9538  57.304     91.334   51.737     97.726   95.738     256.768  24.900  10.184  34.808  15.401  -9.908094      18.46320 
1 1 1 -10 27  38 o 44.964  10.083  289.338    107.290  252.272    116.281  501.616    278.272  41.171  11.298  50.910  18.019  -9.738976      21.26848 
1 1 1 -10 27  39 o 38.166  8.4831  202.761    76.522   236.991    96.576   145.023    125.430  40.471  9.9133  32.149  11.989  8.321949       15.55667 
1 1 1 -10 28  1  o 71.262  6.1153  624.121    104.714  301.948    172.224  813.075    131.894  48.559  13.907  81.306  6.7465  -32.74778      15.45675 
1 1 1 -10 28  2  o 188.029 4.8317  4305.20    220.438  4233.35    308.937  4379.71    314.633  186.107 6.8414  189.295 6.8502  -3.188080      9.681378 
1 1 1 -10 28  3  o 246.642 5.6832  7419.64    340.110  7424.41    477.772  7414.75    484.271  246.079 8.0017  245.881 8.1171  0.1975555      11.39798 
1 1 1 -10 28  4  o 155.315 4.4062  2936.43    166.050  2758.48    231.981  3123.41    237.788  150.261 6.3627  159.932 6.1276  -9.671265      8.833526 
1 1 1 -10 28  5  o 103.732 4.0481  1309.36    101.889  1200.31    142.278  1424.16    145.980  98.971  5.9524  107.894 5.5953  -8.923347      8.169370 
1 1 1 -10 28  6  o 91.708  3.9886  1023.53    88.755   1043.49    123.612  1002.29    127.517  92.301  5.5451  90.406  5.8444  1.895004       8.056347 
1 1 1 -10 28  7  o 26.251  6.9382  87.466     44.861   103.134    62.813   71.153     64.093   28.701  8.4507  25.161  8.6654  3.540598       12.10383 
1 1 1 -10 28  8  o 120.762 4.0798  1776.13    119.547  2097.38    169.000  1454.38    169.131  131.054 5.3146  108.782 6.4363  22.27244       8.346954 
1 1 1 -10 28  9  o 220.119 5.3717  5921.80    286.902  5911.27    404.387  5932.47    407.109  219.115 7.6061  219.491 7.6442  -0.3763733     10.78358 
1 1 1 -10 28  10 o 165.723 4.5992  3352.00    184.940  3448.56    260.460  3253.83    262.644  167.623 6.4039  162.748 6.6510  4.875137       9.232850 
1 1 1 -10 28  11 o 86.598  4.0627  914.548    85.367   1009.85    120.878  819.713    120.578  90.636  5.5228  81.491  6.1432  9.144981       8.260780 
1 1 1 -10 28  12 o 117.020 4.2039  1671.62    119.366  1651.43    167.174  1692.63    170.493  115.801 5.9700  117.228 6.0142  -1.426727      8.474125 
1 1 1 -10 28  13 o 72.509  4.2941  644.613    75.213   650.047    103.997  638.654    108.906  72.464  5.9678  71.735  6.3215  0.7291183      8.693395 
1 1 1 -10 28  14 o 146.505 4.4957  2626.56    159.814  2620.94    224.459  2632.33    227.597  145.727 6.3480  146.013 6.4241  -0.2865906     9.031358 
1 1 1 -10 28  15 o 112.798 4.1785  1556.31    114.363  1400.08    161.063  1715.16    162.412  106.270 6.2741  118.010 5.6720  -11.74021      8.457883 
1 1 1 -10 28  16 o 98.444  4.1779  1186.28    99.794   1118.82    139.399  1257.20    142.929  94.950  6.0826  100.747 5.8724  -5.796768      8.454751 
1 1 1 -10 28  17 o 36.728  5.7697  170.464    49.723   190.516    67.379   146.486    73.682   38.423  7.4964  33.428  8.9190  4.995121       11.65094 
1 1 1 -10 28  18 o 54.696  6.6196  377.337    86.064   334.395    98.666   513.961    175.991  50.902  8.2726  61.560  12.213  -10.65731      14.75140 
1 1 1 -10 28  19 o 59.970  6.4044  452.193    91.750   465.812    105.793  410.868    184.288  60.547  7.3519  53.988  13.963  6.558784       15.78058 
1 1 1 -10 28  20 o 50.389  7.1754  324.070    85.251   254.878    97.500   548.709    175.678  43.824  9.4474  63.628  11.814  -19.80368      15.12696 
1 1 1 -10 28  21 o 17.722  7.6052  0.0444     58.661   -13.6775   63.977   72.474     146.985  17.548  7.7295  30.789  12.529  -13.24075      14.72142 
1 1 1 -10 28  22 o 90.476  4.7145  1011.33    103.141  984.026    138.913  1044.88    153.975  88.525  6.5129  90.985  7.0291  -2.459953      9.582585 
1 1 1 -10 28  23 o 11.768  5.5525  -45.0113   41.379   -57.7189   73.224   -39.0494   50.155   16.457  7.6412  13.750  6.3628  2.707539       9.943484 
1 1 1 -10 28  24 o 52.426  8.0734  357.434    99.404   357.434    99.404   0.0000     0.0000   52.426  8.0734  ?       ?       0.000000       8.073430 
1 1 1 -10 28  25 o 43.779  8.6793  254.693    88.939   254.693    88.939   0.0000     0.0000   43.779  8.6793  ?       ?       0.000000       8.679337 
1 1 1 -10 28  26 o 74.438  6.5619  703.825    117.307  979.927    230.384  607.186    136.299  84.297  11.569  68.122  8.4256  16.17455       14.31174 
1 1 1 -10 28  27 o 74.972  6.4722  715.222    116.583  574.853    226.192  766.001    136.045  60.967  15.311  77.090  7.3627  -16.12284      16.98970 
1 1 1 -10 28  28 o 84.095  6.5183  902.201    131.966  873.503    255.747  912.615    154.061  76.150  14.368  83.814  7.6602  -7.663956      16.28251 
1 1 1 -10 28  29 o 46.525  6.1387  278.216    67.607   281.590    103.086  275.670    89.556   45.065  9.7137  45.229  8.4718  -0.1643372     12.88906 
1 1 1 -10 28  30 o 31.297  7.4995  131.806    56.205   93.874     93.610   153.189    70.283   27.864  10.364  33.395  8.6164  -5.530815      13.47789 
1 1 1 -10 28  31 o 20.731  8.2298  37.109     61.777   -88.9292   202.803  50.000     64.859   26.888  12.561  22.174  8.5399  4.713793       15.18929 
1 1 1 -10 28  32 o 17.435  7.3181  12.075     52.305   0.0000     0.0000   12.075     52.305   ?       ?       17.435  7.3181  0.000000       7.318113 
1 1 1 -10 28  33 o 10.742  5.2110  -67.7323   42.384   -123.9580  94.368   -53.5240   47.438   16.415  7.9163  12.334  5.8567  4.081018       9.847279 
1 1 1 -10 28  34 o 25.427  9.1520  79.820     72.069   128.556    92.136   2.9978     115.677  30.618  10.393  23.621  10.399  6.996954       14.70242 
1 1 1 -10 28  35 o 65.062  5.9498  542.046    92.887   547.737    121.985  534.193    143.299  64.082  8.0210  61.910  9.8708  2.171867       12.71889 
1 1 1 -10 28  36 o 63.510  8.0630  539.949    121.453  479.182    132.782  851.150    300.487  58.631  9.6708  68.469  17.890  -9.838127      20.33619 
1 1 1 -10 28  37 o 40.826  10.584  244.180    105.710  178.669    114.292  631.924    278.054  34.795  11.574  57.337  17.969  -22.54205      21.37412 
1 1 1 -10 28  38 f 15.960  7.3017  -31.3235   63.455   -32.2248   80.572   -29.8514   102.970  18.126  8.2679  20.648  9.3902  -2.521223      12.51137 
1 1 1 -10 29  1  o 170.613 4.6230  3544.74    191.380  3399.16    267.691  3696.94    273.712  166.746 6.6163  173.922 6.4860  -7.176239      9.265173 
1 1 1 -10 29  2  o 69.770  4.2032  594.620    70.824   531.911    97.455   664.807    103.103  65.699  6.1862  73.571  5.8232  -7.871552      8.495846 
1 1 1 -10 29  3  o 145.848 4.3925  2590.32    155.447  2523.91    217.196  2660.06    222.571  143.697 6.2293  147.524 6.2179  -3.827057      8.801524 
1 1 1 -10 29  4  o 180.803 4.8061  3984.77    210.845  3848.99    295.739  4125.12    300.684  177.259 6.8760  183.539 6.7518  -6.279816      9.636687 
1 1 1 -10 29  5  o 60.355  4.4395  446.235    64.559   422.513    88.019   473.854    94.977   58.427  6.3088  61.893  6.4176  -3.465942      8.999280 
1 1 1 -10 29  6  o 69.174  5.4449  588.203    90.652   713.365    114.790  380.793    147.769  76.071  6.2751  54.190  11.589  21.88038       13.17889 
1 1 1 -10 29  7  o 120.798 4.1710  1778.44    122.255  1808.14    171.031  1747.41    174.820  121.544 5.7993  119.289 6.0598  2.255516       8.387635 
1 1 1 -10 29  8  o 290.986 6.4797  10397.27   457.500  10501.08   645.018  10292.18   649.004  290.711 9.1442  287.690 9.2973  3.020782       13.04060 
1 1 1 -10 29  9  o 84.422  4.0299  869.128    82.549   896.138    115.593  841.016    117.927  85.339  5.6137  82.594  5.9237  2.744446       8.161151 
1 1 1 -10 29  10 o 101.308 4.0636  1252.39    99.889   1161.60    140.001  1346.53    142.562  97.066  5.9733  104.621 5.6367  -7.555130      8.212934 
1 1 1 -10 29  11 o 51.887  4.6755  331.996    58.232   276.547    81.215   390.663    83.540   46.711  7.4132  55.991  6.2561  -9.279152      9.700203 
1 1 1 -10 29  12 o 131.292 4.3197  2107.93    137.613  2071.43    193.849  2145.02    195.389  129.621 6.1635  131.923 6.1040  -2.302628      8.674492 
1 1 1 -10 29  13 o 47.501  4.9557  279.782    56.278   333.455    78.411   222.759    80.821   51.562  6.4054  41.501  8.3157  10.06055       10.49668 
1 1 1 -10 29  14 o 35.332  5.8353  157.923    48.279   126.095    65.491   195.809    71.451   31.153  8.4500  38.924  7.8365  -7.770769      11.52443 
1 1 1 -10 29  15 o 64.817  4.3984  517.432    68.766   434.763    95.181   607.702    99.460   58.757  6.8019  69.866  5.9228  -11.10937      9.019181 
1 1 1 -10 29  16 o 73.869  4.6838  673.185    83.516   647.623    128.907  691.675    109.638  71.512  7.5428  74.450  6.1235  -2.937569      9.715547 
1 1 1 -10 29  17 o 51.636  6.6493  337.425    81.373   314.336    96.588   393.889    151.044  49.226  8.3874  53.745  11.897  -4.519836      14.55615 
1 1 1 -10 29  18 o 57.667  6.6682  420.272    91.582   377.713    105.895  546.560    182.415  54.025  8.3474  63.188  12.340  -9.163628      14.89838 
1 1 1 -10 29  19 o 31.232  8.4156  128.324    65.212   140.121    71.756   72.354     156.298  32.566  8.8498  31.378  12.861  1.188677       15.61193 
1 1 1 -10 29  20 o 15.638  6.5456  6.8787     41.660   -5.7937    53.977   25.551     65.519   16.572  7.2036  20.590  8.3702  -4.017469      11.04323 
1 1 1 -10 29  21 o 52.184  5.7886  342.392    72.061   324.181    103.969  359.229    99.968   49.594  8.9701  52.635  8.0861  -3.040714      12.07677 
1 1 1 -10 29  22 o 17.278  7.0675  15.570     47.078   -59.7008   71.415   73.419     62.608   16.087  7.4949  24.797  8.5630  -8.709177      11.37971 
1 1 1 -10 29  23 o 18.540  8.2654  -21.8399   75.367   -21.8399   75.367   0.0000     0.0000   18.540  8.2654  ?       ?       0.000000       8.265444 
1 1 1 -10 29  24 o 60.122  14.588  538.532    210.652  538.532    210.652  0.0000     0.0000   60.122  14.588  ?       ?       0.000000       14.58840 
1 1 1 -10 29  25 o 84.506  6.4223  905.799    130.702  888.709    247.526  912.406    153.907  78.311  13.515  84.079  7.6271  -5.767677      15.51866 
1 1 1 -10 29  26 o 54.911  7.1321  390.723    92.783   566.043    203.836  344.906    104.203  61.387  13.996  50.732  8.7832  10.65444       16.52353 
1 1 1 -10 29  27 o 59.170  5.7081  444.089    80.935   385.472    116.212  499.299    112.784  53.219  9.3403  61.725  7.6977  -8.506794      12.10357 
1 1 1 -10 29  28 o 57.438  5.5692  418.840    76.641   573.608    116.592  301.079    101.701  66.263  7.3768  46.787  9.2863  19.47655       11.85965 
1 1 1 -10 29  29 o 33.844  8.8262  158.565    73.232   262.053    194.375  141.446    79.057   40.843  14.980  31.879  9.5043  8.964180       17.74099 
1 1 1 -10 29  30 o 27.868  9.1145  104.510    70.983   232.426    206.819  87.430     75.574   39.011  15.187  26.307  9.3821  12.70435       17.85097 
1 1 1 -10 29  31 o 10.844  5.3352  -97.4717   49.257   0.0000     0.0000   -97.4717   49.257   ?       ?       10.844  5.3352  0.000000       5.335236 
1 1 1 -10 29  32 o 22.227  9.6819  8.0872     97.919   0.0000     0.0000   8.0872     97.919   ?       ?       22.227  9.6819  0.000000       9.681881 
1 1 1 -10 29  33 o 29.853  8.9831  123.224    70.383   166.104    88.606   49.908     115.861  34.118  10.034  26.019  10.905  8.098454       14.81913 
1 1 1 -10 29  34 o 54.062  6.5992  380.744    84.770   317.647    111.988  465.407    129.723  47.248  10.076  57.828  9.5806  -10.57986      13.90373 
1 1 1 -10 29  35 o 24.062  9.9073  46.051     93.268   41.326     100.045  77.423     257.804  24.287  10.153  33.870  15.179  -9.582386      18.26162 
1 1 1 -10 29  36 o 40.417  10.583  240.654    105.012  274.744    113.299  32.840     279.737  43.060  10.849  33.019  15.189  10.04100       18.66547 
1 1 1 -10 29  37 o 45.602  8.2094  286.717    87.495   195.704    116.519  404.383    132.486  35.728  11.677  52.227  10.811  -16.49813      15.91333 
1 1 1 -10 30  1  o 134.434 4.2625  2200.81    139.040  2159.99    193.478  2244.41    199.945  132.938 5.9982  135.496 6.0816  -2.558685      8.541910 
1 1 1 -10 30  2  o 229.641 5.4892  6440.05    305.861  6285.05    429.340  6599.77    435.838  226.097 7.8261  231.717 7.7518  -5.620575      11.01533 
1 1 1 -10 30  3  o 78.883  4.1297  759.981    78.768   651.237    108.267  882.264    114.809  72.683  6.1983  84.783  5.6126  -12.10053      8.361829 
1 1 1 -10 30  4  f 215.599 5.2558  5678.77    274.945  5598.83    385.801  5761.27    391.933  213.328 7.4533  216.396 7.4644  -3.067993      10.54847 
1 1 1 -10 30  5  o 135.146 4.2409  2226.80    139.067  2213.44    194.854  2240.68    198.538  134.415 5.9744  135.223 6.0511  -0.8074646     8.503485 
1 1 1 -10 30  6  o 102.390 4.0603  1278.17    100.874  1368.39    140.827  1183.11    144.562  105.583 5.5162  98.022  6.1085  7.561142       8.230518 
1 1 1 -10 30  7  o 189.566 4.9237  4394.23    226.473  4475.74    318.596  4310.97    321.994  190.599 6.8890  186.970 7.0976  3.629120       9.891115 
1 1 1 -10 30  8  o 27.187  6.7936  94.684     44.688   67.008     60.054   129.023    66.895   24.284  8.3865  31.661  8.5202  -7.376806      11.95522 
1 1 1 -10 30  9  o 55.656  4.4440  381.069    59.513   336.393    82.081   430.586    86.414   51.798  6.6869  58.835  6.1438  -7.036564      9.080762 
1 1 1 -10 30  10 o 84.914  4.0615  880.975    83.681   940.482    117.636  820.018    119.062  87.291  5.5833  81.355  6.0754  5.936615       8.251235 
1 1 1 -10 30  11 f 25.603  6.7042  84.154     42.140   71.421     57.549   98.874     61.875   24.517  8.2143  27.927  8.4269  -3.409554      11.76808 
1 1 1 -10 30  12 o 104.813 4.1730  1344.66    106.129  1327.94    149.359  1361.71    150.830  103.520 5.9716  104.839 5.9538  -1.318787      8.432538 
1 1 1 -10 30  13 o 153.728 4.5448  2899.79    169.523  2802.08    238.308  2999.88    241.200  150.212 6.5384  155.503 6.3926  -5.290512      9.144150 
1 1 1 -10 30  14 o 82.723  4.1162  838.556    82.620   797.265    116.146  880.851    117.550  79.995  6.0281  84.188  5.7897  -4.193245      8.358163 
1 1 1 -10 30  15 o 99.314  5.9096  1227.04    141.763  1247.99    175.801  1188.09    239.712  99.504  7.3331  95.207  10.554  4.297073       12.85173 
1 1 1 -10 30  16 o 15.658  6.9395  -15.2099   52.353   -25.4559   59.260   21.213     111.731  16.102  7.2423  25.180  10.639  -9.078451      12.87003 
1 1 1 -10 30  17 o 29.982  8.4639  117.791    64.268   154.004    74.358   10.851     127.779  34.078  8.8970  26.045  11.202  8.032198       14.30526 
1 1 1 -10 30  18 o 21.544  7.9789  47.755     55.365   22.950     59.520   207.073    150.843  19.641  7.9804  39.309  13.298  -19.66875      15.50896 
1 1 1 -10 30  19 o 36.858  6.8877  175.602    59.334   222.538    85.495   131.991    82.411   40.945  8.8627  31.701  9.7577  9.243240       13.18179 
1 1 1 -10 30  20 o 44.751  6.1897  254.482    65.411   187.250    97.227   310.074    88.411   37.145  10.384  48.926  7.7020  -11.78109      12.92852 
1 1 1 -10 30  21 o 39.264  6.7097  198.779    61.628   255.731    95.433   158.039    80.714   43.669  9.2920  34.278  9.4156  9.390976       13.22854 
1 1 1 -10 30  22 o 41.720  9.5270  235.836    94.323   235.836    94.323   0.0000     0.0000   41.720  9.5270  ?       ?       0.000000       9.526984 
1 1 1 -10 30  23 o 39.133  14.312  209.813    177.234  209.813    177.234  0.0000     0.0000   39.133  14.312  ?       ?       0.000000       14.31194 
1 1 1 -10 30  24 o 66.337  6.8837  564.973    109.188  659.891    215.462  532.174    126.655  66.793  13.753  63.519  8.4257  3.273258       16.12862 
1 1 1 -10 30  25 o 65.536  7.1459  555.917    111.790  637.041    219.043  527.345    129.995  64.644  14.340  62.856  8.7617  1.787998       16.80503 
1 1 1 -10 30  26 o 82.424  4.7895  849.450    95.374   860.895    133.780  837.620    136.005  81.767  6.8047  80.490  7.0346  1.277420       9.787229 
1 1 1 -10 30  27 o 33.154  7.8946  149.111    62.597   231.018    99.638   95.704     80.457   40.304  10.184  27.394  9.6899  12.91086       14.05758 
1 1 1 -10 30  28 o 29.352  8.9321  118.309    69.301   119.694    182.483  118.076    74.913   33.042  13.753  29.356  9.3429  3.685968       16.62654 
1 1 1 -10 30  29 o 20.888  8.1533  41.835     59.735   152.891    96.948   -26.1287   75.841   32.742  10.649  17.986  8.1316  14.75620       13.39874 
1 1 1 -10 30  30 o 30.337  9.3658  128.497    75.860   0.0000     0.0000   128.497    75.860   ?       ?       30.337  9.3658  0.000000       9.365809 
1 1 1 -10 30  31 o 28.866  11.460  95.196     119.794  0.0000     0.0000   95.196     119.794  ?       ?       28.866  11.460  0.000000       11.45995 
1 1 1 -10 30  32 o 22.299  8.8263  46.827     70.865   111.776    89.748   -60.7135   115.484  28.931  10.234  20.794  9.6339  8.136703       14.05521 
1 1 1 -10 30  33 o 17.462  7.7488  -11.5940   65.472   -75.9866   85.266   80.916     102.201  16.903  7.9741  27.030  10.631  -10.12688      13.28940 
1 1 1 -10 30  34 o 21.560  9.5071  -1.0427    97.045   -1.0427    97.045   0.0000     0.0000   21.560  9.5071  ?       ?       0.000000       9.507139 
1 1 1 -10 30  35 o 26.812  10.307  86.512     94.358   141.814    100.923  -297.5941  265.978  31.468  10.872  25.675  12.585  5.792513       16.63029 
1 1 1 -10 30  36 o 70.866  5.7361  647.932    97.788   557.312    128.493  772.652    150.742  63.461  8.5633  74.958  8.4346  -11.49691      12.01968 
1 1 1 -10 31  1  o 158.203 4.4883  3051.94    172.291  2991.31    240.368  3116.00    247.083  156.230 6.3409  159.441 6.3867  -3.211334      8.999840 
1 1 1 -10 31  2  o 83.896  4.1767  857.959    85.024   824.890    116.643  895.449    124.195  81.863  5.9121  85.283  6.0409  -3.419701      8.452507 
1 1 1 -10 31  3  o 107.519 4.0718  1409.30    106.227  1421.19    147.757  1396.57    152.827  107.582 5.6805  106.585 5.9329  0.9968872      8.213832 
1 1 1 -10 31  4  o 36.698  5.7343  168.907    49.390   248.283    66.474   71.084     73.795   44.530  6.3305  25.800  9.2636  18.73032       11.22005 
1 1 1 -10 31  5  o 45.245  5.0164  253.479    54.144   221.918    73.043   291.970    80.664   41.773  7.4813  48.150  7.1189  -6.377876      10.32707 
1 1 1 -10 31  6  o 66.801  4.2410  547.148    68.385   512.820    93.517   586.602    100.257  64.303  6.0653  68.810  6.0669  -4.506485      8.578791 
1 1 1 -10 31  7  o 83.925  4.0911  860.292    83.310   887.480    115.965  831.293    119.764  84.797  5.6688  81.955  6.0657  2.842232       8.302293 
1 1 1 -10 31  8  o 48.412  4.9248  290.237    57.044   294.414    79.289   285.755    82.131   48.285  6.9694  47.449  7.3730  0.8357124      10.14566 
1 1 1 -10 31  9  o 153.994 4.5266  2905.20    169.137  2857.40    237.388  2954.48    241.047  151.969 6.4378  154.533 6.4286  -2.564285      9.097921 
1 1 1 -10 31  10 o 64.045  4.3236  504.659    66.794   440.636    93.462   571.494    95.493   59.257  6.6131  67.793  5.8630  -8.536674      8.837830 
1 1 1 -10 31  11 o 97.595  4.1425  1166.64    98.096   1096.30    137.266  1240.06    140.240  93.920  6.0557  100.005 5.8044  -6.085251      8.388227 
1 1 1 -10 31  12 o 102.305 4.1331  1282.77    102.598  1190.54    144.099  1377.60    146.113  97.798  6.1029  105.379 5.7360  -7.580444      8.375417 
1 1 1 -10 31  13 o 61.153  6.3332  469.873    92.612   453.556    109.489  510.903    173.620  59.568  7.7594  61.252  12.111  -1.683784      14.38364 
1 1 1 -10 31  14 o 65.925  6.1903  545.248    97.860   611.646    117.429  394.320    177.044  69.523  7.0591  52.790  13.702  16.73304       15.41368 
1 1 1 -10 31  15 o 45.156  7.2389  262.173    76.635   270.811    89.783   238.988    147.093  45.482  8.4466  41.635  13.073  3.846424       15.56421 
1 1 1 -10 31  16 o 19.359  7.7970  24.431     56.273   44.502     63.949   -44.4458   118.464  22.049  8.4831  22.550  10.182  -0.5012665     13.25269 
1 1 1 -10 31  17 o 70.480  4.3978  613.714    74.832   647.328    104.881  578.858    106.802  71.816  6.0758  67.686  6.5865  4.129784       8.960854 
1 1 1 -10 31  18 o 50.049  5.8764  316.029    70.005   360.534    100.882  274.692    97.224   52.632  8.1639  45.426  9.1374  7.206398       12.25325 
1 1 1 -10 31  19 o 11.670  5.6501  -78.0373   49.207   -118.8641  72.388   -42.9669   67.091   13.926  6.7683  16.245  7.4600  -2.318364      10.07282 
1 1 1 -10 31  20 f 51.361  5.7557  333.014    70.495   315.662    103.639  347.955    96.170   48.629  9.1185  51.658  7.9256  -3.029385      12.08144 
1 1 1 -10 31  21 o 86.694  6.6681  954.599    139.191  954.599    139.191  0.0000     0.0000   86.694  6.6681  ?       ?       0.000000       6.668094 
1 1 1 -10 31  22 o 47.528  14.876  346.513    190.647  346.513    190.647  0.0000     0.0000   47.528  14.876  ?       ?       0.000000       14.87637 
1 1 1 -10 31  23 o 74.217  6.7708  706.504    120.586  814.511    229.445  665.287    141.740  74.650  13.148  71.000  8.3897  3.650078       15.59638 
1 1 1 -10 31  24 o 62.684  7.0415  509.529    105.246  543.042    212.979  498.702    121.060  58.638  14.930  61.224  8.3684  -2.585129      17.11498 
1 1 1 -10 31  25 o 46.549  6.1563  279.430    67.827   295.535    95.592   263.101    96.256   46.567  8.7822  43.550  9.3857  3.016930       12.85374 
1 1 1 -10 31  26 o 27.431  7.9994  101.785    56.524   153.970    85.049   60.497     75.649   33.048  9.8590  23.917  9.2197  9.130169       13.49825 
1 1 1 -10 31  27 o 31.231  8.7576  135.639    69.047   59.962     181.857  148.386    74.636   30.263  13.188  32.529  9.0994  -2.266352      16.02253 
1 1 1 -10 31  28 o 72.020  5.1472  657.035    89.356   673.922    130.191  641.996    122.863  71.181  7.6584  69.676  7.3796  1.505196       10.63532 
1 1 1 -10 31  29 o 36.508  10.069  193.138    92.093   0.0000     0.0000   193.138    92.093   ?       ?       36.508  10.069  0.000000       10.06946 
1 1 1 -10 31  30 o 48.378  12.117  358.293    141.922  0.0000     0.0000   358.293    141.922  ?       ?       48.378  12.117  0.000000       12.11660 
1 1 1 -10 31  31 o 38.711  9.0406  210.715    83.378   420.845    108.588  -91.1357   130.148  55.671  8.2919  21.062  9.9105  34.60850       12.92179 
1 1 1 -10 31  32 o 35.895  9.1083  182.142    79.460   109.178    100.854  301.567    129.029  28.971  10.761  44.554  11.762  -15.58249      15.94222 
1 1 1 -10 31  33 o 26.077  9.9569  80.789     87.679   121.806    93.123   -239.5867  260.257  29.698  10.433  26.398  12.831  3.300306       16.53671 
1 1 1 -10 31  34 o 56.423  9.1670  447.129    121.193  462.339    132.727  370.848    297.238  56.670  10.019  42.994  17.693  13.67622       20.33241 
1 1 1 -10 32  1  f 76.531  4.1775  716.590    77.280   759.600    105.897  667.586    113.034  78.547  5.5929  73.436  6.4078  5.110558       8.505313 
1 1 1 -10 32  2  o 108.676 4.1357  1441.15    109.055  1298.13    150.931  1597.37    157.750  102.625 6.0884  114.121 5.6969  -11.49522      8.338094 
1 1 1 -10 32  3  o 92.745  4.0913  1049.92    92.069   1030.45    127.302  1071.26    133.316  91.434  5.7676  93.193  5.9265  -1.758972      8.269770 
1 1 1 -10 32  4  o 44.101  5.0888  241.418    53.455   174.328    73.439   317.018    77.957   36.698  8.4255  50.297  6.5426  -13.59962      10.66747 
1 1 1 -10 32  5  o 98.195  4.0950  1178.11    97.567   1125.19    134.853  1236.24    141.337  95.444  5.8513  100.060 5.8469  -4.615990      8.271867 
1 1 1 -10 32  6  o 39.954  5.4775  199.813    51.704   117.646    69.889   299.147    76.844   30.298  8.9120  48.739  6.6731  -18.44095      11.13351 
1 1 1 -10 32  7  o 141.371 4.3998  2447.84    150.923  2474.50    211.746  2420.30    215.169  141.494 6.1676  139.862 6.3404  1.631378       8.845291 
1 1 1 -10 32  8  o 83.922  4.1171  862.151    83.836   830.836    115.613  896.876    121.748  81.811  5.8630  84.990  5.9411  -3.179008      8.346964 
1 1 1 -10 32  9  o 43.107  5.3013  232.318    54.281   282.726    75.007   176.890    78.653   47.230  6.7359  36.661  8.9256  10.56920       11.18212 
1 1 1 -10 32  10 o 184.429 4.9495  4188.33    221.491  4151.27    311.301  4226.33    315.206  182.241 7.0399  183.862 7.0654  -1.620743      9.974018 
1 1 1 -10 32  11 o 75.242  5.8297  705.919    105.602  587.292    127.084  970.571    189.817  67.826  7.8681  86.706  9.1611  -18.87991      12.07613 
1 1 1 -10 32  12 o 98.732  5.8636  1214.52    139.842  1155.88    172.003  1328.84    240.182  95.531  7.4802  100.900 9.9394  -5.369804      12.43961 
1 1 1 -10 32  13 o 115.241 6.0666  1658.11    169.038  1576.90    210.079  1807.26    284.692  111.339 7.8260  117.484 10.085  -6.145424      12.76509 
1 1 1 -10 32  14 f 101.630 6.0123  1291.09    147.601  1253.68    180.934  1365.50    255.202  99.297  7.5667  101.569 10.507  -2.272346      12.94811 
1 1 1 -10 32  15 o 25.177  7.2025  82.058     46.222   90.209     63.712   73.001     67.158   26.710  8.6284  25.051  8.8539  1.658836       12.36282 
1 1 1 -10 32  16 f 110.521 4.4891  1505.74    120.384  1493.76    168.919  1518.11    171.611  109.016 6.4142  109.873 6.4656  -0.8572083     9.107462 
1 1 1 -10 32  17 o 20.588  7.6684  43.190     51.283   107.113    82.104   2.2976     65.668   29.115  9.8111  18.767  8.0499  10.34737       12.69094 
1 1 1 -10 32  18 o 76.969  4.7895  735.826    89.005   641.244    128.536  822.953    123.367  70.579  7.6269  80.724  6.3497  -10.14551      9.924090 
1 1 1 -10 32  19 o 83.454  4.7090  864.926    94.965   829.965    136.549  897.676    132.161  80.602  7.0530  84.146  6.5240  -3.544174      9.607663 
1 1 1 -10 32  20 o 100.880 11.613  1411.07    279.079  1411.07    279.079  0.0000     0.0000   100.880 11.613  ?       ?       0.000000       11.61340 
1 1 1 -10 32  21 o 69.416  13.939  719.496    226.616  719.496    226.616  0.0000     0.0000   69.416  13.939  ?       ?       0.000000       13.93861 
1 1 1 -10 32  22 o 67.059  6.9671  581.253    111.709  695.401    216.098  539.626    130.497  68.178  13.540  63.541  8.6921  4.637150       16.09013 
1 1 1 -10 32  23 o 77.302  4.8403  748.728    90.331   748.972    124.895  748.459    130.803  76.139  6.8332  75.868  7.1914  0.2707825      9.920147 
1 1 1 -10 32  24 o 38.300  7.3167  195.736    65.515   209.893    94.322   182.540    91.069   38.397  10.018  35.813  10.063  2.583832       14.19976 
1 1 1 -10 32  25 o 51.448  5.7959  340.023    71.092   402.396    101.463  279.871    99.641   54.833  7.8502  44.616  9.4957  10.21684       12.32047 
1 1 1 -10 32  26 o 52.502  7.4728  367.683    92.510   419.688    211.215  355.339    102.906  48.866  15.702  50.852  8.6498  -1.986374      17.92702 
1 1 1 -10 32  27 o 47.540  6.3631  295.525    71.558   321.105    108.635  275.920    95.105   47.447  9.7619  44.295  9.1515  3.151672       13.38076 
1 1 1 -10 32  28 o 71.931  7.3657  686.616    126.744  0.0000     0.0000   686.616    126.744  ?       ?       71.931  7.3657  0.000000       7.365687 
1 1 1 -10 32  29 o 62.805  10.160  563.474    149.538  0.0000     0.0000   563.474    149.538  ?       ?       62.805  10.160  0.000000       10.15977 
1 1 1 -10 32  30 o 43.708  8.1724  261.758    83.484   255.995    104.666  271.836    138.412  41.834  10.365  41.558  12.618  0.2756615      16.32912 
1 1 1 -10 32  31 o 56.790  7.2840  429.075    98.057   566.062    136.902  284.758    140.516  63.873  9.0899  42.416  12.677  21.45628       15.59892 
1 1 1 -10 32  32 o 37.924  10.843  215.807    104.792  233.626    113.680  115.041    270.335  39.155  11.323  34.531  15.505  4.623867       19.19949 
1 1 1 -10 32  33 o 57.114  9.1273  459.901    122.229  421.774    133.895  650.533    299.394  53.268  10.730  54.436  18.730  -1.167255      21.58563 
1 1 1 -10 33  1  o 114.156 4.1493  1591.71    114.932  1523.83    158.643  1666.69    166.736  111.163 5.9027  116.262 5.9302  -5.098907      8.367206 
1 1 1 -10 33  2  f 54.044  4.6875  360.226    60.859   370.897    82.560   347.526    90.064   54.479  6.3657  52.478  7.2682  2.000725       9.661751 
1 1 1 -10 33  3  o 88.567  4.1439  959.010    89.052   941.270    122.595  978.826    129.571  87.233  5.8255  88.900  6.0427  -1.666527      8.393447 
1 1 1 -10 33  4  o 124.634 4.2338  1900.82    128.036  1779.61    177.442  2032.47    184.930  119.889 6.1201  128.347 5.9382  -8.458107      8.527524 
1 1 1 -10 33  5  o 86.329  4.0858  911.953    85.584   892.127    118.887  933.278    123.303  84.827  5.8111  86.744  5.8933  -1.916527      8.276462 
1 1 1 -10 33  6  o 60.777  4.4524  455.388    65.203   453.531    89.535   457.485    95.142   60.202  6.2190  60.351  6.6050  -0.1494141     9.072054 
1 1 1 -10 33  7  o 54.321  4.6665  365.151    60.910   315.257    84.374   419.453    88.022   49.755  7.1980  57.783  6.3848  -8.027245      9.621682 
1 1 1 -10 33  8  f 35.803  5.9668  162.957    50.010   114.717    68.853   216.825    72.759   29.758  8.8692  40.945  7.6035  -11.18675      11.68230 
1 1 1 -10 33  9  o 128.059 6.1756  2040.23    191.890  2129.46    243.094  1892.71    312.563  129.699 7.7602  119.895 10.862  9.804337       13.34940 
1 1 1 -10 33  10 o 53.349  6.4414  360.009    81.694   274.262    95.712   590.127    156.794  45.586  8.9725  66.869  9.9682  -21.28282      13.41162 
1 1 1 -10 33  11 o 54.915  6.5569  382.242    85.641   376.698    101.244  396.185    160.565  53.975  7.9704  53.177  12.631  0.7981453      14.93588 
1 1 1 -10 33  12 o 49.839  6.9830  317.931    82.128   256.743    95.291   494.656    161.944  43.871  9.2436  60.108  11.523  -16.23722      14.77246 
1 1 1 -10 33  13 o 45.987  5.1159  264.892    56.117   225.479    78.053   307.065    80.739   41.440  8.0528  48.933  6.9995  -7.493626      10.66958 
1 1 1 -10 33  14 o 24.981  7.7032  79.844     51.335   -58.6181   84.484   160.889    64.636   17.919  8.2801  34.923  7.8220  -17.00436      11.39051 
1 1 1 -10 33  15 o 62.496  5.0363  486.931    75.722   448.270    112.275  519.190    102.558  58.723  8.0949  63.899  6.7152  -5.176102      10.51767 
1 1 1 -10 33  16 o 83.943  4.6350  873.630    94.040   928.950    133.676  819.428    132.318  85.710  6.4756  80.272  6.8593  5.437706       9.433115 
1 1 1 -10 33  17 o 40.490  6.6339  211.744    62.918   226.629    96.346   200.676    83.079   40.671  9.8644  38.529  9.0421  2.141861       13.38157 
1 1 1 -10 33  18 o 50.296  6.8614  326.233    81.551   269.337    173.684  342.324    92.365   42.701  14.270  51.178  7.6747  -8.476994      16.20324 
1 1 1 -10 33  19 o 25.446  11.307  -11.0853   139.862  -11.0853   139.862  0.0000     0.0000   25.446  11.307  ?       ?       0.000000       11.30698 
1 1 1 -10 33  20 o 30.734  12.893  76.615     162.185  76.615     162.185  0.0000     0.0000   30.734  12.893  ?       ?       0.000000       12.89257 
1 1 1 -10 33  21 o 56.661  7.2365  419.884    97.218   353.642    198.915  440.673    111.434  46.662  15.258  57.487  8.2231  -10.82520      17.33242 
1 1 1 -10 33  22 o 109.572 4.7588  1500.16    126.519  1369.97    177.219  1635.48    180.680  102.644 7.1605  112.711 6.6359  -10.06652      9.762601 
1 1 1 -10 33  23 o 60.441  5.3353  464.102    77.441   537.729    110.848  393.905    108.236  63.910  7.2779  53.791  8.5810  10.11900       11.25175 
1 1 1 -10 33  24 f 77.463  4.9426  757.417    92.415   786.265    128.897  726.901    132.570  77.514  6.9262  74.071  7.4785  3.442902       10.19320 
1 1 1 -10 33  25 o 37.257  9.0055  196.282    80.509   -97.1750   195.262  256.388    88.370   25.653  12.091  42.849  8.7943  -17.19584      14.95132 
1 1 1 -10 33  26 o 42.986  6.6558  244.600    67.178   244.484    95.864   244.711    94.166   41.144  9.7514  41.272  9.5866  -0.1271744     13.67451 
1 1 1 -10 33  27 o 64.442  9.7932  589.782    148.308  428.410    251.077  676.260    183.800  46.836  17.049  67.079  11.719  -20.24359      20.68817 
1 1 1 -10 33  28 o 19.849  9.2407  -62.2379   108.241  0.0000     0.0000   -62.2379   108.241  ?       ?       19.849  9.2407  0.000000       9.240693 
1 1 1 -10 33  29 o 38.983  9.0848  215.615    84.342   207.697    108.997  227.431    133.151  37.095  11.183  38.082  12.485  -0.9868774     16.76061 
1 1 1 -10 33  30 o 34.089  11.062  173.263    104.633  156.028    116.187  247.222    240.686  32.655  11.634  38.587  15.905  -5.931564      19.70588 
1 1 1 -10 33  31 o 41.449  10.949  260.359    111.758  261.396    123.330  255.601    264.255  40.902  11.784  38.628  16.343  2.274361       20.14867 
1 1 1 -10 33  32 o 38.544  10.146  222.018    96.184   261.053    102.618  -60.3187   275.980  41.839  10.201  29.701  14.110  12.13756       17.41119 
1 1 1 -10 34  1  o 115.271 4.1800  1625.70    116.914  1466.01    161.481  1801.63    169.492  108.771 6.1436  120.887 5.7784  -12.11549      8.434063 
1 1 1 -10 34  2  o 152.986 4.5035  2869.17    167.172  2689.70    233.002  3059.56    239.987  147.292 6.5195  157.208 6.2914  -9.916855      9.060146 
1 1 1 -10 34  3  o 132.220 4.3068  2142.52    138.169  1979.14    191.780  2318.84    199.235  126.376 6.2543  136.908 5.9976  -10.53198      8.665248 
1 1 1 -10 34  4  o 98.878  4.1653  1198.12    99.934   1120.86    138.462  1282.12    144.380  94.935  6.0423  101.623 5.8804  -6.688171      8.431441 
1 1 1 -10 34  5  o 53.827  4.7267  358.971    61.108   312.093    83.513   412.994    89.653   49.479  7.1647  57.241  6.5742  -7.762009      9.723841 
1 1 1 -10 34  6  o 78.217  4.1890  752.827    79.214   690.653    109.795  820.324    114.398  74.302  6.1451  81.128  5.8507  -6.825951      8.484855 
1 1 1 -10 34  7  o 87.166  5.8415  947.445    122.832  851.357    150.811  1136.81    211.710  81.798  7.6887  93.562  9.4554  -11.76451      12.18690 
1 1 1 -10 34  8  o 142.465 6.3616  2534.87    219.907  2490.43    281.164  2604.89    352.914  139.573 8.3404  140.794 10.404  -1.220642      13.33454 
1 1 1 -10 34  9  o 75.182  6.0973  709.351    110.271  727.747    132.282  667.454    199.635  75.623  7.2998  69.584  12.273  6.039764       14.27947 
1 1 1 -10 34  10 o 41.433  7.5666  223.587    73.266   208.964    85.385   264.411    142.669  39.515  9.0942  43.323  12.730  -3.808163      15.64497 
1 1 1 -10 34  11 o 72.089  4.3751  642.570    76.166   553.359    105.423  739.985    110.163  66.048  6.6696  76.782  5.9598  -10.73358      8.944433 
1 1 1 -10 34  12 o 20.936  7.6803  46.557     51.095   94.795     74.087   2.8008     70.561   27.565  9.3197  19.432  8.3399  8.133305       12.50643 
1 1 1 -10 34  13 o 35.864  6.8776  167.267    57.672   155.149    85.639   177.323    78.013   33.896  9.8354  36.321  8.9177  -2.425007      13.27633 
1 1 1 -10 34  14 o 48.748  5.7115  300.432    66.277   328.153    99.312   278.173    88.994   49.834  8.5192  45.893  8.2974  3.941776       11.89212 
1 1 1 -10 34  15 o 48.198  5.8032  294.550    66.503   250.452    100.057  329.448    89.010   42.774  9.8448  50.319  7.5210  -7.545170      12.38892 
1 1 1 -10 34  16 o 54.853  5.3902  378.905    70.814   445.560    103.848  320.974    96.814   58.594  7.4746  49.171  8.4173  9.423008       11.25702 
1 1 1 -10 34  17 o 54.719  7.1090  388.069    92.156   336.646    180.046  406.323    107.273  46.838  14.424  55.437  8.2244  -8.598385      16.60367 
1 1 1 -10 34  18 o 45.621  14.746  326.072    186.064  326.072    186.064  0.0000     0.0000   45.621  14.746  ?       ?       0.000000       14.74589 
1 1 1 -10 34  19 o 29.940  12.482  77.200     150.665  77.200     150.665  0.0000     0.0000   29.940  12.482  ?       ?       0.000000       12.48240 
1 1 1 -10 34  20 o 43.553  6.4099  246.801    65.712   262.469    96.222   233.106    89.956   43.391  9.4102  40.904  9.2770  2.486801       13.21419 
1 1 1 -10 34  21 f 78.483  4.9572  775.860    93.916   825.575    134.419  728.447    131.270  79.518  7.0395  74.417  7.3667  5.101379       10.18937 
1 1 1 -10 34  22 o 43.618  6.6816  250.667    68.462   323.772    103.975  194.713    90.963   48.111  9.2427  36.739  9.9559  11.37185       13.58482 
1 1 1 -10 34  23 o 43.992  6.5493  255.021    67.777   232.894    95.234   277.730    96.480   40.125  9.8535  44.311  9.2712  -4.185890      13.52951 
1 1 1 -10 34  24 o 51.295  7.7310  356.107    93.234   388.049    208.187  348.094    104.276  46.216  15.623  49.866  8.9468  -3.650368      18.00324 
1 1 1 -10 34  25 o 43.544  6.7140  251.931    68.658   318.463    98.617   189.350    95.644   47.656  8.8544  35.697  10.404  11.95918       13.66210 
1 1 1 -10 34  26 o 29.804  11.425  118.575    115.732  98.024     203.548  128.392    140.686  31.809  13.904  31.158  12.404  0.6501999      18.63284 
1 1 1 -10 34  27 o 20.301  9.4734  -65.8469   114.848  0.0000     0.0000   -65.8469   114.848  ?       ?       20.301  9.4734  0.000000       9.473360 
1 1 1 -10 34  28 o 15.417  7.2795  -65.2442   71.352   -22.3867   88.924   -142.7167  119.559  19.503  8.8125  18.378  8.8748  1.125116       12.50686 
1 1 1 -10 34  29 o 17.874  8.3585  -61.7177   90.160   -7.3994    99.011   -325.4414  218.165  21.209  9.4631  22.311  11.024  -1.102022      14.52873 
1 1 1 -10 34  30 o 30.548  10.964  134.774    103.358  163.253    114.198  5.7571     243.059  32.860  11.552  30.076  13.949  2.784061       18.11191 
1 1 1 -10 34  31 o 26.128  9.4116  92.134     76.230   132.453    98.590   32.199     120.205  30.082  10.717  24.560  10.712  5.522392       15.15266 
1 1 1 -10 35  1  o 69.294  4.3092  591.092    72.093   546.568    98.925   641.521    105.282  66.093  6.2425  71.691  6.1107  -5.597450      8.735571 
1 1 1 -10 35  2  o 25.050  7.1897  80.507     45.987   28.694     60.267   152.722    71.149   20.295  8.1059  34.062  8.6055  -13.76699      11.82207 
1 1 1 -10 35  3  o 49.002  4.9440  298.823    57.980   288.981    76.991   311.716    88.124   47.637  6.8587  49.252  7.6202  -1.615337      10.25224 
1 1 1 -10 35  4  o 27.692  8.4123  98.691     61.509   120.547    70.555   29.472     125.559  30.370  8.9604  26.828  11.304  3.542009       14.42422 
1 1 1 -10 35  5  o 26.881  8.5154  91.797     62.287   54.042     71.605   209.206    126.272  23.640  9.0048  39.172  12.082  -15.53237      15.06843 
1 1 1 -10 35  6  o 86.177  5.9543  929.207    123.741  976.216    151.767  835.990    213.716  87.739  7.1921  78.548  11.559  9.191299       13.61392 
1 1 1 -10 35  7  o 68.605  6.1692  592.462    101.597  575.002    121.177  633.779    186.407  66.966  7.5917  68.007  11.720  -1.040428      13.96371 
1 1 1 -10 35  8  o 21.795  8.2060  47.498     59.037   49.552     66.164   39.474     130.759  22.658  8.6499  27.545  11.567  -4.886740      14.44317 
1 1 1 -10 35  9  o 28.903  6.9642  109.495    48.263   74.288     65.899   150.229    70.881   25.033  8.7772  33.522  8.6548  -8.489069      12.32655 
1 1 1 -10 35  10 f 20.176  7.9041  34.131     56.294   75.577     79.174   -8.2437    80.056   25.991  9.5565  19.898  8.7083  6.093279       12.92910 
1 1 1 -10 35  11 o 35.076  7.2905  161.488    60.023   120.050    85.949   200.937    83.861   30.396  10.034  38.590  9.1034  -8.194044      13.54796 
1 1 1 -10 35  12 o 24.003  7.9530  71.700     53.980   13.956     80.551   118.770    72.725   21.290  9.0163  29.931  9.1586  -8.641075      12.85202 
1 1 1 -10 35  13 o 13.521  6.2369  -34.1496   47.627   -108.4783  74.873   16.366     61.725   14.575  7.0345  19.221  7.9996  -4.646003      10.65254 
1 1 1 -10 35  14 o 28.851  7.8486  110.920    56.403   55.838     84.874   154.486    75.482   24.606  9.6849  33.706  9.0421  -9.099756      13.24982 
1 1 1 -10 35  15 o 40.973  8.6893  227.043    83.708   914.734    175.090  23.292     95.305   83.065  8.8222  23.233  9.8216  59.83181       13.20208 
1 1 1 -10 35  16 f 54.911  7.2205  393.084    93.871   432.969    187.978  379.834    108.348  52.777  14.316  53.167  8.6997  -0.3907127     16.75230 
1 1 1 -10 35  17 o 23.781  8.9864  61.579     70.952   187.405    158.449  30.022     79.352   36.434  13.497  21.983  9.1030  14.45111       16.27997 
1 1 1 -10 35  18 o 21.556  9.2231  15.051     85.816   15.051     85.816   0.0000     0.0000   21.556  9.2231  ?       ?       0.000000       9.223133 
1 1 1 -10 35  19 o 45.020  6.3650  264.077    67.591   401.881    102.635  158.538    89.819   54.745  7.9597  33.346  10.173  21.39895       12.91727 
1 1 1 -10 35  20 o 49.859  5.9794  321.503    70.894   397.768    103.090  253.074    97.650   54.244  8.0790  42.082  9.7537  12.16183       12.66515 
1 1 1 -10 35  21 o 47.088  6.2133  289.484    69.255   225.779    105.393  337.897    91.877   38.921  10.787  49.954  7.8380  -11.03313      13.33357 
1 1 1 -10 35  22 o 20.698  8.0766  42.742     58.602   73.331     89.674   19.942     77.422   25.469  9.9764  20.712  8.8085  4.756645       13.30859 
1 1 1 -10 35  23 o 37.328  7.3019  189.552    63.766   109.364    92.709   261.546    87.845   28.382  10.355  43.125  8.6952  -14.74333      13.52193 
1 1 1 -10 35  24 o 34.199  7.7929  162.208    63.224   163.707    93.772   160.960    85.610   33.177  10.441  33.099  9.8954  0.7741165E-01  14.38527 
1 1 1 -10 35  25 o 32.400  11.243  156.445    107.999  174.160    205.646  149.698    126.908  34.646  14.525  32.038  12.037  2.608093       18.86436 
1 1 1 -10 35  26 o 27.371  11.190  80.967     117.947  0.0000     0.0000   80.967     117.947  ?       ?       27.371  11.190  0.000000       11.19042 
1 1 1 -10 35  27 o 16.772  7.6976  -34.7746   71.294   26.366     101.439  -94.4557   100.221  23.144  9.9675  17.775  8.4612  5.369310       13.07453 
1 1 1 -10 35  28 o 44.595  11.732  312.060    128.654  312.060    128.654  0.0000     0.0000   44.595  11.732  ?       ?       0.000000       11.73185 
1 1 1 -10 35  29 o 22.892  9.7878  31.672     96.526   11.930     106.291  124.542    230.534  22.596  9.9575  32.798  14.548  -10.20228      17.62950 
1 1 1 -10 35  30 o 15.868  7.3282  -36.1537   66.042   1.4667     82.820   -101.8507  109.445  19.821  8.7594  18.271  8.7372  1.550453       12.37197 
1 1 1 -10 36  1  o 39.057  7.4783  198.044    68.290   181.499    78.751   248.206    137.120  36.974  8.8878  42.382  12.488  -5.407429      15.32777 
1 1 1 -10 36  2  o 111.163 6.0998  1544.25    163.901  1654.58    203.720  1341.76    275.973  114.313 7.3842  99.888  11.603  14.42484       13.75307 
1 1 1 -10 36  3  o 130.988 6.2275  2143.34    197.929  2143.09    250.322  2143.77    323.307  129.563 8.0017  127.282 10.564  2.280884       13.25233 
1 1 1 -10 36  4  o 51.552  6.5810  338.301    80.441   294.537    93.928   458.718    155.805  47.327  8.4914  57.736  11.525  -10.40964      14.31562 
1 1 1 -10 36  5  f 37.349  7.6305  183.071    66.815   237.410    76.396   6.2649     137.804  42.650  7.6639  26.459  11.506  16.19138       13.82446 
1 1 1 -10 36  6  o 65.525  6.1645  542.042    96.856   618.768    115.291  357.994    178.562  69.709  6.9071  49.338  14.169  20.37051       15.76297 
1 1 1 -10 36  7  o 58.267  4.6289  422.124    64.903   386.890    88.317   463.496    95.700   55.016  6.7581  60.326  6.6484  -5.310631      9.480109 
1 1 1 -10 36  8  o 36.989  7.3598  179.432    63.730   199.472    97.721   164.600    84.068   38.083  10.319  34.819  9.6278  3.263813       14.11276 
1 1 1 -10 36  9  o 54.830  5.7232  379.445    75.019   474.764    110.248  297.255    102.374  60.525  7.6799  46.981  9.3096  13.54335       12.06857 
1 1 1 -10 36  10 o 48.217  6.0081  295.759    68.765   355.691    97.488   236.411    97.012   52.102  7.9644  41.542  9.7855  10.55917       12.61691 
1 1 1 -10 36  11 o 34.844  7.7699  161.561    64.018   116.400    91.915   204.108    89.215   30.095  10.376  38.583  9.5749  -8.488432      14.11908 
1 1 1 -10 36  12 o 50.667  5.8101  326.110    70.137   405.405    98.943   246.023    99.435   55.785  7.4997  42.198  9.8849  13.58781       12.40793 
1 1 1 -10 36  13 o 35.889  9.1002  176.601    79.358   77.079     160.662  208.719    91.269   30.800  12.870  38.800  9.7160  -8.000250      16.12537 
1 1 1 -10 36  14 o 14.846  6.8928  -45.1097   59.582   -231.6962  139.916  -3.7788    65.851   18.650  9.1384  18.175  7.9276  0.4754620      12.09783 
1 1 1 -10 36  15 o 66.339  7.1060  572.716    112.603  471.521    205.552  616.105    134.595  53.940  15.105  68.001  8.3317  -14.06108      17.25050 
1 1 1 -10 36  16 o 14.167  6.5446  -36.2300   52.728   -187.4595  143.853  -12.7586   56.672   19.853  9.6237  16.220  7.2030  3.632620       12.02078 
1 1 1 -10 36  17 o 38.284  10.049  210.501    94.527   210.501    94.527   0.0000     0.0000   38.284  10.049  ?       ?       0.000000       10.04870 
1 1 1 -10 36  18 o 50.787  8.2551  351.158    98.233   349.956    108.063  356.877    235.730  50.038  9.2409  44.421  16.461  5.616734       18.87786 
1 1 1 -10 36  19 o 23.271  7.9951  69.428     54.545   101.003    85.117   47.426     71.051   27.624  9.9457  22.229  8.8256  5.395016       13.29686 
1 1 1 -10 36  20 o 27.019  8.0775  100.844    57.045   -30.5489   92.267   182.147    72.579   19.461  8.8655  36.003  8.4528  -16.54196      12.24934 
1 1 1 -10 36  21 f 18.892  7.5703  30.233     52.758   -21.1105   88.137   58.904     65.862   19.410  8.7714  22.699  8.6386  -3.289385      12.31109 
1 1 1 -10 36  22 o 16.158  6.9767  2.8863     49.956   17.638     86.700   -4.4457    61.123   21.321  9.1986  17.150  7.5546  4.171263       11.90322 
1 1 1 -10 36  23 o 36.120  8.4473  184.894    72.712   192.456    93.104   173.070    116.421  35.818  10.214  33.539  11.671  2.279160       15.50948 
1 1 1 -10 36  24 o 23.967  8.9819  70.217     70.569   99.830     92.606   29.205     108.981  27.448  10.289  23.770  10.284  3.677359       14.54706 
1 1 1 -10 36  25 o 53.813  10.791  433.791    135.996  0.0000     0.0000   433.791    135.996  ?       ?       53.813  10.791  0.000000       10.79102 
1 1 1 -10 36  26 f 27.792  10.612  101.197    99.604   107.062    106.977  62.996     273.017  28.467  10.966  32.379  14.935  -3.912031      18.52861 
1 1 1 -10 36  27 o 26.181  10.752  72.542     109.503  72.542     109.503  0.0000     0.0000   26.181  10.752  ?       ?       0.000000       10.75208 
1 1 1 -10 36  28 o 30.958  10.465  144.132    93.424   189.980    101.202  -120.1826  242.992  34.936  10.823  26.665  12.821  8.271019       16.77846 
1 1 1 -10 36  29 o 16.746  7.6657  -27.8515   70.079   -68.1536   90.887   31.240     110.053  17.408  8.2185  23.509  10.252  -6.100986      13.13926 
1 1 1 -10 37  1  o 57.288  6.4734  416.369    88.405   435.455    105.145  370.330    163.301  58.121  7.6410  50.856  13.140  7.264343       15.19997 
1 1 1 -10 37  2  o 44.372  7.3080  255.210    75.941   244.322    88.789   284.877    146.566  42.812  8.8401  44.687  12.838  -1.875717      15.58730 
1 1 1 -10 37  3  o 86.011  6.0465  930.175    125.386  981.891    152.952  824.205    218.943  87.718  7.2513  77.071  12.107  10.64733       14.11236 
1 1 1 -10 37  4  o 61.267  4.5370  466.194    66.968   472.190    91.038   459.123    98.858   61.048  6.2334  59.894  6.9304  1.153828       9.321254 
1 1 1 -10 37  5  o 69.641  4.4010  601.119    73.985   639.116    100.653  556.461    109.121  71.240  5.8754  65.975  6.9195  5.264351       9.077433 
1 1 1 -10 37  6  o 59.647  5.4384  446.961    77.843   460.172    112.747  434.929    107.605  59.375  8.0321  57.775  7.8816  1.600769       11.25320 
1 1 1 -10 37  7  o 16.049  7.0941  -12.4585   54.360   -88.4643   85.211   39.703     70.590   16.703  7.9074  22.101  8.7898  -5.397585      11.82320 
1 1 1 -10 37  8  o 35.747  7.7978  169.958    65.731   164.293    99.101   174.409    87.833   34.578  10.710  35.625  9.8371  -1.046722      14.54183 
1 1 1 -10 37  9  o 55.239  5.7938  386.704    76.499   474.793    112.100  309.926    104.656  60.264  7.8529  47.780  9.3620  12.48343       12.21944 
1 1 1 -10 37  10 o 17.245  7.1799  12.438     49.750   -42.6175   71.734   63.462     69.057   16.802  7.7152  23.966  8.9041  -7.163782      11.78161 
1 1 1 -10 37  11 o 15.361  7.0949  -42.4700   61.933   46.890     136.723  -65.5399   69.469   27.770  11.753  15.384  7.2391  12.38668       13.80349 
1 1 1 -10 37  12 o 71.413  6.5977  655.508    113.030  763.443    200.191  604.998    136.947  73.104  11.679  67.320  8.5789  5.784134       14.49131 
1 1 1 -10 37  13 o 38.063  8.9198  200.088    80.941   195.070    157.662  201.884    94.320   36.780  13.491  37.718  10.103  -0.9385452     16.85499 
1 1 1 -10 37  14 o 72.588  6.7881  683.917    118.169  515.605    216.419  755.413    141.052  55.519  15.482  75.541  7.8080  -20.02211      17.33965 
1 1 1 -10 37  15 o 19.053  7.6054  29.699     53.026   129.840    84.323   -35.8060   68.199   30.515  9.9319  16.471  7.5480  14.04403       12.47456 
1 1 1 -10 37  16 o 38.363  10.544  216.461    101.178  216.461    101.178  0.0000     0.0000   38.363  10.544  ?       ?       0.000000       10.54356 
1 1 1 -10 37  17 o 29.848  10.309  124.874    90.736   124.874    90.736   0.0000     0.0000   29.848  10.309  ?       ?       0.000000       10.30859 
1 1 1 -10 37  18 o 20.125  7.7278  42.282     53.002   79.623     83.243   16.822     68.736   25.572  9.7166  19.570  8.3106  6.002335       12.78589 
1 1 1 -10 37  19 o 19.142  7.6552  31.925     53.829   90.596     88.879   -2.0627    67.647   26.607  10.057  18.126  7.9670  8.481630       12.83025 
1 1 1 -10 37  20 o 31.633  7.7923  139.972    59.418   135.121    92.828   143.339    77.338   30.382  10.431  31.342  9.4131  -0.9596901     14.04998 
1 1 1 -10 37  21 o 16.684  7.5543  -21.2913   65.740   22.363     86.788   -80.0551   100.694  21.528  9.2447  18.203  8.6111  3.324673       12.63391 
1 1 1 -10 37  22 o 55.770  6.3111  410.279    83.899   498.474    109.612  285.514    130.372  60.458  7.6428  41.940  12.125  18.51777       14.33305 
1 1 1 -10 37  23 o 46.300  7.3791  292.051    80.116   227.848    104.115  385.256    125.445  38.491  10.740  50.637  10.552  -12.14587      15.05656 
1 1 1 -10 37  24 o 30.162  11.686  127.374    122.018  0.0000     0.0000   127.374    122.018  ?       ?       30.162  11.686  0.000000       11.68612 
1 1 1 -10 37  25 f 28.482  10.490  113.513    95.456   107.791    101.647  156.239    277.755  28.198  10.732  34.534  15.592  -6.336647      18.92837 
1 1 1 -10 37  26 o 25.173  10.454  62.662     105.072  62.662     105.072  0.0000     0.0000   25.173  10.454  ?       ?       0.000000       10.45362 
1 1 1 -10 37  27 f 51.897  7.0711  366.271    86.724   309.827    113.929  444.041    133.730  44.688  10.657  53.873  10.608  -9.184978      15.03647 
1 1 1 -10 38  1  o 30.886  6.6750  124.719    48.565   159.724    63.915   76.903     74.701   34.706  7.7821  25.762  9.3113  8.943655       12.13511 
1 1 1 -10 38  2  o 44.319  5.2315  247.551    55.173   210.635    73.741   294.498    83.157   39.908  7.8949  47.557  7.4511  -7.649616      10.85584 
1 1 1 -10 38  3  o 69.814  5.0056  608.488    84.230   569.647    118.829  647.712    119.413  66.386  7.5090  71.103  7.0129  -4.716370      10.27452 
1 1 1 -10 38  4  f 50.582  5.9203  324.978    71.286   387.513    101.825  264.865    99.832   54.385  7.9511  44.048  9.6109  10.33730       12.47361 
1 1 1 -10 38  5  o 74.992  4.9879  702.247    90.242   781.424    129.810  628.193    125.540  78.128  6.9192  69.645  7.5498  8.482452       10.24085 
1 1 1 -10 38  6  o 44.266  6.6298  253.217    69.018   235.385    101.908  268.325    93.806   41.110  10.251  44.547  8.9886  -3.437111      13.63403 
1 1 1 -10 38  7  o 43.406  6.8966  245.187    70.207   142.924    103.957  330.939    95.195   32.589  11.040  49.974  8.1301  -17.38527      13.71030 
1 1 1 -10 38  8  o 37.359  7.7244  186.207    67.708   252.550    103.747  136.986    89.362   42.475  10.196  31.737  10.215  10.73809       14.43277 
1 1 1 -10 38  9  o 21.305  8.7517  29.296     72.567   -133.4111  141.169  87.730     84.600   21.181  10.071  27.012  9.8866  -5.830858      14.11275 
1 1 1 -10 38  10 o 28.791  9.2835  111.304    73.781   95.028     142.281  117.291    86.289   30.433  12.348  29.654  10.058  0.7796822      15.92614 
1 1 1 -10 38  11 o 21.457  8.7895  32.298     72.942   20.995     146.172  36.045     84.170   26.856  11.760  22.783  9.3998  4.073277       15.05503 
1 1 1 -10 38  12 o 36.683  9.1909  188.795    81.638   288.723    165.487  156.654    93.852   42.536  13.917  33.164  10.447  9.371834       17.40186 
1 1 1 -10 38  13 o 120.813 4.7793  1830.58    140.103  1876.40    191.444  1777.74    205.580  120.427 6.5766  116.354 7.3191  4.073288       9.839744 
1 1 1 -10 38  14 o 33.062  7.9503  150.797    62.996   379.862    98.239   -9.1754    82.097   53.031  7.8737  19.540  8.6737  33.49133       11.71445 
1 1 1 -10 38  15 o 21.782  9.2064  26.835     83.716   26.835     83.716   0.0000     0.0000   21.782  9.2064  ?       ?       0.000000       9.206375 
1 1 1 -10 38  16 o 20.265  9.0213  -7.1858    89.436   -7.1858    89.436   0.0000     0.0000   20.265  9.0213  ?       ?       0.000000       9.021297 
1 1 1 -10 38  17 f 22.468  8.1156  62.832     56.734   102.490    93.502   39.723     71.375   27.680  10.346  21.431  8.7269  6.249226       13.53481 
1 1 1 -10 38  18 o 32.679  7.7861  149.596    60.859   160.270    92.264   141.376    80.972   32.609  10.367  30.990  9.6942  1.619129       14.19375 
1 1 1 -10 38  19 o 65.890  5.1994  557.946    82.450   520.764    118.621  592.698    114.683  61.227  8.1898  66.235  7.2544  -5.008003      10.94074 
1 1 1 -10 38  20 o 44.889  7.5078  277.009    78.886   202.175    107.817  363.225    115.727  35.798  11.184  49.455  9.9880  -13.65685      14.99506 
1 1 1 -10 38  21 o 44.130  7.6040  268.686    78.483   336.280    106.255  187.533    116.425  47.992  9.4611  34.315  11.683  13.67672       15.03314 
1 1 1 -10 38  22 o 23.040  8.7621  63.353     67.728   1.1682     87.771   154.874    106.481  20.337  9.0009  31.843  11.158  -11.50549      14.33547 
1 1 1 -10 38  23 o 33.699  15.586  118.558    300.391  0.0000     0.0000   118.558    300.391  ?       ?       33.699  15.586  0.000000       15.58634 
1 1 1 -10 38  24 o 21.620  9.5323  9.9176     97.529   -8.8674    103.259  165.213    296.896  21.193  9.5433  34.541  15.800  -13.34836      18.45817 
1 1 1 -10 38  25 o 16.115  7.6500  -72.5900   80.829   -76.8485   84.070   -20.5311   293.943  16.340  7.7699  30.052  14.356  -13.71199      16.32412 
1 1 1 -10 38  26 f 37.104  8.9673  204.045    79.836   231.289    101.908  160.758    128.455  38.179  10.616  31.605  12.056  6.574764       16.06345 
1 1 1 -10 39  1  o 47.993  5.9380  293.340    67.673   438.465    98.283   162.506    93.319   58.279  7.0968  34.362  10.344  23.91653       12.54484 
1 1 1 -10 39  2  o 28.731  8.1861  110.190    59.832   120.593    93.921   103.085    77.620   30.464  10.490  28.295  9.5394  2.169220       14.17879 
1 1 1 -10 39  3  o 96.168  4.6091  1147.35    107.550  1213.70    150.328  1077.77    153.934  97.751  6.3729  91.689  6.9714  6.061661       9.445294 
1 1 1 -10 39  4  o 51.650  5.8955  339.735    72.561   431.200    101.402  243.753    103.876  57.515  7.4406  41.708  10.320  15.80624       12.72298 
1 1 1 -10 39  5  o 15.105  6.9481  -37.4236   58.531   2.8119     89.546   -67.4365   77.339   21.393  9.2888  16.405  7.6937  4.988195       12.06130 
1 1 1 -10 39  6  o 21.051  8.4376  35.146     65.556   70.791     127.388  22.306     76.457   28.371  11.618  21.201  8.8700  7.170082       14.61691 
1 1 1 -10 39  7  o 32.942  9.5359  150.631    80.589   217.548    152.979  124.927    94.812   38.390  13.378  30.571  10.539  7.818731       17.03041 
1 1 1 -10 39  8  o 37.261  9.3509  193.929    84.408   270.588    159.294  164.002    99.529   41.809  13.653  34.010  10.763  7.798241       17.38525 
1 1 1 -10 39  9  o 60.944  7.2897  488.297    105.657  457.509    190.622  501.950    126.940  53.281  14.401  60.725  8.8774  -7.444309      16.91768 
1 1 1 -10 39  10 o 42.164  9.0141  247.692    89.425   267.584    168.618  239.907    105.481  40.863  14.056  40.560  10.600  0.3029823      17.60507 
1 1 1 -10 39  11 o 38.026  7.4913  195.545    66.661   167.384    92.894   225.442    95.714   33.969  10.342  39.501  9.9821  -5.531738      14.37377 
1 1 1 -10 39  12 o 76.489  4.9428  740.443    91.246   870.380    125.545  594.950    132.847  81.864  6.3705  65.940  8.5011  15.92415       10.62316 
1 1 1 -10 39  13 o 22.841  7.9879  66.257     54.563   143.482    87.020   16.225     70.042   31.454  10.076  19.685  8.3751  11.76905       13.10200 
1 1 1 -10 39  14 o 17.505  8.2542  -73.0618   91.166   -73.0618   91.166   0.0000     0.0000   17.505  8.2542  ?       ?       0.000000       8.254210 
1 1 1 -10 39  15 o 49.588  9.1128  351.511    105.605  351.511    105.605  0.0000     0.0000   49.588  9.1128  ?       ?       0.000000       9.112761 
1 1 1 -10 39  16 o 31.501  8.0157  140.542    61.418   209.215    97.391   95.198     79.140   36.976  10.412  26.447  9.5801  10.52901       14.14912 
1 1 1 -10 39  17 o 30.183  7.8282  128.850    57.816   13.796     92.895   201.594    73.866   21.435  9.3808  37.613  8.3146  -16.17846      12.53527 
1 1 1 -10 39  18 o 57.598  6.4419  441.413    88.487   356.271    118.143  550.207    133.548  48.458  10.362  61.765  9.1912  -13.30685      13.85082 
1 1 1 -10 39  19 o 16.491  7.4079  -14.0862   61.781   35.678     81.023   -83.2120   95.493   21.716  9.1112  17.415  8.2811  4.301243       12.31218 
1 1 1 -10 39  20 o 32.203  8.8093  151.579    70.824   165.963    94.046   132.734    107.648  32.812  10.471  29.917  11.117  2.895931       15.27142 
1 1 1 -10 39  21 o 33.167  10.806  171.163    99.805   -79.9989   108.089  1623.82    259.949  18.819  8.9082  104.294 10.411  -85.47479      13.70228 
1 1 1 -10 39  22 o 19.546  9.8720  -538.1954  224.795  0.0000     0.0000   -538.1954  224.795  ?       ?       19.546  9.8720  0.000000       9.872010 
1 1 1 -10 39  23 o 19.095  8.6097  -13.3512   84.357   12.390     88.684   -258.0025  273.403  20.874  9.1498  25.337  12.486  -4.463240      15.47951 
1 1 1 -10 39  24 o 19.281  8.1667  21.982     66.099   24.398     85.959   18.487     103.394  21.228  9.1589  22.261  9.8149  -1.032820      13.42449 
1 1 1 -10 39  25 o 25.924  9.1452  96.927     71.618   96.601     95.717   97.342     107.949  26.418  10.318  26.826  10.801  -0.4082012     14.93741 
1 1 1 -10 40  1  o 20.803  7.7732  45.496     52.777   -50.8303   82.305   112.763    68.778   17.786  8.2026  28.998  8.9123  -11.21115      12.11244 
1 1 1 -10 40  2  o 42.301  6.6789  232.888    66.277   240.680    100.042  226.794    88.479   41.448  10.051  40.613  9.1928  0.8355217      13.62107 
1 1 1 -10 40  3  o 12.245  5.7280  -38.4598   42.399   -159.4087  74.830   18.732     51.456   12.981  6.4217  17.983  7.3762  -5.001997      9.779937 
1 1 1 -10 40  4  o 32.951  9.1779  150.237    76.101   82.525     138.939  179.258    90.958   29.568  12.124  35.653  10.071  -6.084667      15.76070 
1 1 1 -10 40  5  o 16.014  7.3549  -38.0187   65.237   -143.8982  129.218  -1.8005    75.575   19.637  9.4178  19.432  8.4840  0.2048473      12.67569 
1 1 1 -10 40  6  o 52.387  7.8454  366.317    96.656   507.633    164.406  291.672    119.488  58.643  11.959  44.696  11.074  13.94692       16.29939 
1 1 1 -10 40  7  o 76.633  6.7395  763.000    124.041  729.591    206.941  781.735    154.965  69.484  12.744  76.102  8.5396  -6.617874      15.34057 
1 1 1 -10 40  8  o 42.880  8.9360  256.451    89.958   268.654    168.493  251.585    106.390  40.704  14.048  41.462  10.549  -0.7582283     17.56812 
1 1 1 -10 40  9  o 39.474  7.2122  209.441    66.534   246.545    92.324   169.351    95.966   41.638  9.3652  34.000  10.540  7.638287       14.09988 
1 1 1 -10 40  10 o 40.605  6.9488  220.690    66.002   275.948    90.459   157.782    96.516   44.423  8.7035  32.767  10.623  11.65604       13.73347 
1 1 1 -10 40  11 o 53.286  5.9431  369.498    75.532   344.310    104.558  396.988    109.231  49.328  9.0699  53.293  8.7510  -3.964642      12.60331 
1 1 1 -10 40  12 o 17.916  7.3936  20.793     52.090   -24.8770   81.544   52.276     67.705   18.448  8.3769  22.170  8.6729  -3.721918      12.05786 
1 1 1 -10 40  13 o 20.057  8.7149  10.695     78.936   10.695     78.936   0.0000     0.0000   20.057  8.7149  ?       ?       0.000000       8.714912 
1 1 1 -10 40  14 o 55.956  8.9237  447.421    117.090  447.421    117.090  0.0000     0.0000   55.956  8.9237  ?       ?       0.000000       8.923738 
1 1 1 -10 40  15 o 28.985  8.2980  120.764    61.328   111.387    95.629   127.315    79.930   28.041  10.466  29.337  9.6756  -1.295895      14.25332 
1 1 1 -10 40  16 o 21.060  8.5713  41.069     68.803   71.985     94.812   6.6776     100.000  25.015  10.105  21.532  9.5647  3.483320       13.91348 
1 1 1 -10 40  17 f 51.639  6.8871  361.533    84.143   394.367    114.412  322.852    124.181  51.714  9.4669  44.772  11.401  6.941998       14.81874 
1 1 1 -10 40  18 o 34.001  8.6071  168.752    71.075   229.061    94.480   90.126     107.878  38.680  9.9950  26.763  10.790  11.91658       14.70773 
1 1 1 -10 40  19 o 38.587  8.3673  213.888    76.084   214.832    99.141   212.537    118.673  37.027  10.533  35.864  11.788  1.162251       15.80823 
1 1 1 -10 40  20 o 15.130  7.1599  -61.6775   69.723   -40.9907   73.353   -255.3383  224.436  16.506  7.6582  23.036  11.344  -6.529251      13.68704 
1 1 1 -10 40  21 o 25.776  12.387  -102.4929  225.998  0.0000     0.0000   -102.4929  225.998  ?       ?       25.776  12.387  0.000000       12.38651 
1 1 1 -10 40  22 o 32.754  9.3891  162.677    78.472   150.882    103.093  178.923    120.996  30.934  10.966  32.870  11.855  -1.936314      16.14907 
1 1 1 -10 40  23 o 15.555  7.2129  -35.8293   64.932   -79.6210   86.543   20.575     98.218   16.353  7.8058  21.802  9.5911  -5.449690      12.36609 
1 1 1 -10 41  1  o 30.073  9.3303  123.742    75.181   268.272    156.090  80.085     85.787   41.757  13.507  26.303  9.8942  15.45420       16.74312 
1 1 1 -10 41  2  o 61.773  6.8936  496.654    101.564  492.612    190.831  498.252    119.966  55.905  14.077  60.963  8.3280  -5.058132      16.35586 
1 1 1 -10 41  3  o 42.357  8.4544  245.217    83.846   231.193    169.758  249.742    96.429   38.801  14.035  42.089  9.6484  -3.287628      17.03133 
1 1 1 -10 41  4  o 40.180  8.6056  222.871    81.370   209.653    161.770  227.348    94.146   37.229  13.665  39.941  9.7903  -2.712570      16.80983 
1 1 1 -10 41  5  o 32.883  9.3795  153.287    78.504   160.232    155.033  150.892    91.039   33.931  13.165  32.462  10.296  1.469044       16.71329 
1 1 1 -10 41  6  o 51.817  6.1761  349.191    76.122   254.040    113.725  426.423    102.459  41.134  11.126  56.346  7.6953  -15.21223      13.52790 
1 1 1 -10 41  7  o 36.663  7.8798  185.184    68.012   86.226     102.020  264.345    91.246   27.097  10.633  43.295  8.9803  -16.19829      13.91798 
1 1 1 -10 41  8  o 29.065  8.9366  119.419    69.147   24.869     101.700  200.703    94.295   23.110  9.9665  36.765  10.208  -13.65475      14.26646 
1 1 1 -10 41  9  o 17.317  7.4607  5.8394     56.871   -100.9466  81.818   105.662    79.106   15.385  7.4079  27.609  9.6201  -12.22382      12.14180 
1 1 1 -10 41  10 o 34.249  7.6841  163.414    62.286   121.677    85.890   209.712    90.460   29.071  10.030  37.533  9.8199  -8.462143      14.03686 
1 1 1 -10 41  11 o 27.214  8.2986  104.907    59.774   85.628     89.333   120.536    80.433   25.963  10.016  28.808  9.7108  -2.844376      13.95058 
1 1 1 -10 41  12 o 24.608  9.7999  70.300     87.850   70.300     87.850   0.0000     0.0000   24.608  9.7999  ?       ?       0.000000       9.799893 
1 1 1 -10 41  13 o 79.288  7.3134  857.448    139.114  857.448    139.114  0.0000     0.0000   79.288  7.3134  ?       ?       0.000000       7.313392 
1 1 1 -10 41  14 o 16.774  7.3555  0.3220     57.361   2.1503     98.247   -0.6235    70.653   21.076  9.4134  18.284  8.0847  2.791935       12.40868 
1 1 1 -10 41  15 o 31.973  8.4574  149.562    66.622   151.182    94.002   147.928    94.436   31.129  10.498  30.831  10.522  0.2982731      14.86305 
1 1 1 -10 41  16 f 22.203  8.7529  55.756     69.428   93.657     90.052   0.2111     109.015  26.235  10.073  21.798  9.8117  4.436863       14.06197 
1 1 1 -10 41  17 o 30.245  9.0034  136.230    70.985   215.098    95.500   38.862     106.111  37.066  10.266  23.499  10.157  13.56738       14.44174 
1 1 1 -10 41  18 o 52.540  9.5352  410.142    117.082  346.480    130.190  679.390    267.740  45.974  11.655  54.135  17.701  -8.160919      21.19384 
1 1 1 -10 41  19 o 30.605  10.160  144.384    88.085   163.648    94.368   13.991     245.514  32.236  10.508  28.862  13.590  3.374243       17.17839 
1 1 1 -10 41  20 o 38.018  16.271  335.238    267.245  0.0000     0.0000   335.238    267.245  ?       ?       38.018  16.271  0.000000       16.27133 
1 1 1 -10 41  21 o 17.311  7.5997  2.6686     61.385   50.949     79.073   -70.5575   97.382   22.285  9.1427  17.790  8.4311  4.494919       12.43674 
1 1 1 -10 41  22 o 40.762  7.8624  239.404    74.946   366.208    97.412   55.456     117.325  50.207  8.2852  24.508  10.637  25.69846       13.48287 
1 1 1 -10 42  1  o 50.603  7.5350  341.704    89.695   234.202    168.065  384.519    106.063  38.646  13.967  53.097  8.5206  -14.45150      16.36060 
1 1 1 -10 42  2  o 15.243  7.0084  -34.6708   59.453   -112.7716  134.132  -15.5749   66.325   20.744  9.8496  17.301  7.7304  3.442802       12.52093 
1 1 1 -10 42  3  o 38.255  7.7418  199.802    69.394   248.540    102.037  157.863    94.654   41.226  10.245  32.930  10.504  8.296432       14.67327 
1 1 1 -10 42  4  o 17.255  7.3574  8.4109     54.268   -101.7197  93.946   63.563     66.482   16.898  8.0846  23.273  8.7187  -6.374388      11.89019 
1 1 1 -10 42  5  o 35.381  7.6920  172.640    64.151   195.291    102.334  157.975    82.338   35.928  10.836  32.923  9.6702  3.005760       14.52380 
1 1 1 -10 42  6  f 20.254  8.0216  39.045     58.562   55.410     96.779   29.592     73.557   24.466  10.085  20.887  8.7162  3.578524       13.32962 
1 1 1 -10 42  7  f 30.203  8.5907  130.590    65.951   129.359    100.989  131.506    87.086   29.898  10.823  29.994  10.104  -0.9552765E-01 14.80692 
1 1 1 -10 42  8  o 27.999  8.7767  112.202    66.332   99.938     103.780  120.674    86.249   27.587  10.753  28.860  10.046  -1.273638      14.71515 
1 1 1 -10 42  9  o 19.835  8.0274  34.903     59.961   8.6806     86.172   59.515     83.486   20.504  9.0027  23.580  9.4969  -3.075506      13.08582 
1 1 1 -10 42  10 o 10.624  5.2083  -82.0753   45.613   -120.5512  71.393   -55.5376   59.292   13.278  6.5104  13.934  6.5963  -0.6562252     9.268044 
1 1 1 -10 42  11 o 16.569  7.7721  -53.6751   78.981   -53.6751   78.981   0.0000     0.0000   16.569  7.7721  ?       ?       0.000000       7.772104 
1 1 1 -10 42  12 o 26.410  10.427  93.213     98.667   93.213     98.667   0.0000     0.0000   26.410  10.427  ?       ?       0.000000       10.42719 
1 1 1 -10 42  13 o 25.982  8.6949  97.397     64.480   204.600    106.294  34.978     81.108   35.257  11.119  21.407  9.0557  13.84914       14.34026 
1 1 1 -10 42  14 o 32.848  8.3756  158.435    66.961   150.359    109.720  163.229    84.528   30.656  11.253  32.377  9.8674  -1.720942      14.96672 
1 1 1 -10 42  15 o 17.866  7.6201  15.007     58.247   65.945     101.351  -10.1142   71.175   24.636  10.252  17.695  7.9499  6.940395       12.97292 
1 1 1 -10 42  16 o 26.963  10.744  98.976     105.650  76.593     116.009  207.783    255.779  25.963  10.898  33.852  15.149  -7.888948      18.66198 
1 1 1 -10 42  17 o 35.466  11.532  211.281    113.688  176.809    124.827  378.982    275.321  32.473  11.990  39.219  16.643  -6.746166      20.51171 
1 1 1 -10 42  18 o 32.821  10.726  174.385    98.303   160.702    105.468  264.946    271.331  31.455  11.098  35.310  15.717  -3.854996      19.23979 
1 1 1 -10 42  19 o 28.362  11.003  122.078    108.285  0.0000     0.0000   122.078    108.285  ?       ?       28.362  11.003  0.000000       11.00335 
1 1 1 -10 42  20 o 23.404  8.9809  72.354     71.554   -5.8568    97.872   162.158    104.875  20.262  9.1918  31.146  11.058  -10.88436      14.37955 
1 1 1 -10 42  21 o 28.959  9.1903  131.176    72.526   74.217     92.633   221.398    116.585  24.187  9.9061  35.047  11.692  -10.85981      15.32393 
1 1 1 -10 43  1  o 52.058  5.9174  352.010    73.417   348.503    108.878  354.934    99.420   49.465  9.4155  50.700  8.3741  -1.235226      12.60065 
1 1 1 -10 43  2  o 23.794  8.3254  73.386     59.275   45.666     95.476   90.771     75.611   23.818  9.9339  26.170  9.3790  -2.352062      13.66192 
1 1 1 -10 43  3  o 31.116  8.2167  136.865    62.955   77.245     98.141   178.550    82.063   25.980  10.354  34.911  9.4545  -8.930845      14.02139 
1 1 1 -10 43  4  o 23.440  8.4432  70.433     61.349   82.572     101.223  63.385     77.129   26.381  10.515  23.662  9.2568  2.718706       14.00913 
1 1 1 -10 43  5  o 31.972  8.5270  147.327    67.366   281.292    108.428  63.106     85.972   42.885  10.503  24.084  9.6593  18.80114       14.26974 
1 1 1 -10 43  6  o 21.969  8.3282  57.321     61.064   107.321    95.976   23.315     79.150   27.739  10.459  20.736  8.8644  7.003506       13.71017 
1 1 1 -10 43  7  o 16.245  7.2352  -8.4276    57.604   86.577     96.806   -60.5077   71.675   26.084  10.319  15.425  7.2872  10.65881       12.63253 
1 1 1 -10 43  8  o 21.513  8.1749  55.468     58.924   52.159     87.151   58.253     79.973   23.072  9.5457  23.061  9.2924  0.1112175E-01  13.32175 
1 1 1 -10 43  9  o 28.870  8.2838  121.873    61.056   109.935    89.550   132.243    83.464   27.417  10.149  29.403  9.8922  -1.986483      14.17222 
1 1 1 -10 43  10 o 48.195  10.265  361.797    116.356  361.797    116.356  0.0000     0.0000   48.195  10.265  ?       ?       0.000000       10.26453 
1 1 1 -10 43  11 o 36.223  11.172  219.301    107.968  219.301    107.968  0.0000     0.0000   36.223  11.172  ?       ?       0.000000       11.17188 
1 1 1 -10 43  12 o 54.870  6.2113  404.685    81.239   395.712    122.263  411.778    108.707  50.195  10.381  52.979  8.7629  -2.783527      13.58518 
1 1 1 -10 43  13 o 33.944  8.1618  168.663    66.397   189.070    108.392  156.406    84.002   33.537  11.273  31.538  9.8753  1.999701       14.98677 
1 1 1 -10 43  14 o 16.168  7.8059  -103.5708  92.367   -81.9550   100.223  -225.4539  237.988  17.659  8.4213  23.572  11.622  -5.912722      14.35244 
1 1 1 -10 43  15 f 24.781  10.377  67.802     104.782  56.574     114.609  124.983    258.637  24.634  10.602  31.164  14.431  -6.530159      17.90705 
1 1 1 -10 43  16 o 32.984  11.423  183.822    111.451  198.141    122.708  116.350    266.368  33.736  11.963  30.947  14.437  2.789190       18.74929 
1 1 1 -10 43  17 o 47.711  6.5122  310.654    73.421   383.482    107.836  247.716    100.246  50.598  9.1189  39.195  10.377  11.40248       13.81466 
1 1 1 -10 43  18 o 18.246  8.1139  1.2252     72.157   0.0000     0.0000   1.2252     72.157   ?       ?       18.246  8.1139  0.000000       8.113913 
1 1 1 -10 43  19 o 17.885  7.5579  21.264     56.402   -15.4205   86.466   48.433     74.412   18.647  8.5283  21.414  8.8370  -2.767693      12.28108 
1 1 1 -10 44  1  o 26.713  8.0533  100.241    56.529   -22.2743   87.385   188.402    74.128   19.111  8.6756  36.243  8.5650  -17.13260      12.19117 
1 1 1 -10 44  2  f 24.279  8.4551  79.441     61.102   142.746    95.811   36.045     79.326   30.745  10.594  21.640  9.0427  9.104809       13.92880 
1 1 1 -10 44  3  o 25.880  8.4188  94.549     60.590   79.556     98.373   103.713    76.910   25.739  10.329  26.995  9.4812  -1.256609      14.02086 
1 1 1 -10 44  4  o 12.958  6.1647  -55.7125   53.045   -46.0356   98.698   -59.6429   62.902   19.016  8.8430  14.263  6.7643  4.752788       11.13351 
1 1 1 -10 44  5  o 31.871  8.3802  148.546    65.667   134.224    107.748  157.010    82.826   29.605  11.098  31.949  9.7736  -2.343983      14.78803 
1 1 1 -10 44  6  o 16.344  7.2893  -7.5127    58.678   112.458    100.682  -69.2209   72.208   27.745  10.652  15.046  7.1678  12.69897       12.83871 
1 1 1 -10 44  7  o 20.865  8.5880  40.751     70.051   201.878    136.241  -17.1556   81.675   33.704  12.510  18.386  8.3622  15.31813       15.04720 
1 1 1 -10 44  8  o 21.150  8.3984  49.938     64.349   46.035     108.806  52.037     79.800   23.677  10.260  22.317  9.1736  1.359922       13.76280 
1 1 1 -10 44  9  o 39.422  10.839  256.837    106.898  256.837    106.898  0.0000     0.0000   39.422  10.839  ?       ?       0.000000       10.83869 
1 1 1 -10 44  10 o 38.442  10.974  247.208    107.421  247.208    107.421  0.0000     0.0000   38.442  10.974  ?       ?       0.000000       10.97412 
1 1 1 -10 44  11 o 22.476  8.5111  65.633     63.730   4.4312     98.669   109.439    83.478   20.821  9.3567  26.949  9.8274  -6.128727      13.56924 
1 1 1 -10 44  12 o 39.168  11.249  260.119    112.542  226.165    122.177  450.284    289.141  35.639  11.969  39.757  16.968  -4.117786      20.76428 
1 1 1 -10 44  13 o 42.748  11.369  308.279    119.966  198.704    132.555  804.372    282.047  33.271  12.341  56.095  18.158  -22.82310      21.95463 
1 1 1 -10 44  14 o 30.267  11.218  151.247    109.487  123.654    119.997  288.374    267.509  28.408  11.405  35.091  15.613  -6.683531      19.33523 
1 1 1 -10 44  15 o 52.027  6.5629  370.738    81.007   432.857    124.761  325.461    106.513  52.416  10.176  45.525  9.9226  6.890984       14.21333 
1 1 1 -10 44  16 o 21.308  8.0202  58.501     56.386   0.8922     89.527   96.378     72.593   19.768  8.8955  25.489  9.1840  -5.720028      12.78580 
1 1 1 -10 44  17 f 25.424  9.6520  96.335     82.095   0.0000     0.0000   96.335     82.095   ?       ?       25.424  9.6520  0.000000       9.652003 
1 1 1 -10 44  18 o 27.275  10.150  121.628    89.818   0.0000     0.0000   121.628    89.818   ?       ?       27.275  10.150  0.000000       10.15048 
1 1 1 -10 45  1  o 57.690  5.7139  437.475    78.931   455.936    119.394  423.142    105.200  55.819  9.1310  54.645  8.1862  1.174618       12.26336 
1 1 1 -10 45  2  o 49.036  6.4520  324.562    74.903   417.234    111.522  248.402    101.101  53.422  8.9179  39.656  10.384  13.76636       13.68809 
1 1 1 -10 45  3  o 26.285  8.4083  100.592    60.617   87.633     96.274   109.105    78.025   25.760  10.259  27.123  9.5479  -1.363235      14.01449 
1 1 1 -10 45  4  o 24.153  8.5553  81.943     62.738   166.579    102.063  30.538     79.540   31.793  10.936  20.843  8.8977  10.94931       14.09823 
1 1 1 -10 45  5  o 23.890  8.9656  77.935     70.362   127.058    102.109  33.518     97.093   28.483  10.776  22.205  9.6567  6.277882       14.46990 
1 1 1 -10 45  6  o 25.203  9.5607  90.428     80.508   126.663    137.870  71.679     99.172   28.707  11.952  24.488  10.161  4.218304       15.68787 
1 1 1 -10 45  7  o 15.757  6.9997  -4.0547    53.557   -18.2260   97.988   1.9824     63.956   19.652  9.0212  17.408  7.6950  2.243309       11.85726 
1 1 1 -10 45  8  o 34.697  10.662  202.046    98.447   202.046    98.447   0.0000     0.0000   34.697  10.662  ?       ?       0.000000       10.66241 
1 1 1 -10 45  9  o 21.583  9.2938  35.743     88.167   35.743     88.167   0.0000     0.0000   21.583  9.2938  ?       ?       0.000000       9.293825 
1 1 1 -10 45  10 o 36.296  11.237  228.103    109.117  276.501    116.430  -121.2628  312.819  39.918  11.435  26.974  13.304  12.94461       17.54315 
1 1 1 -10 45  11 o 30.832  10.768  158.531    99.134   163.999    105.288  115.822    294.282  31.117  11.076  30.484  14.508  0.6328125      18.25295 
1 1 1 -10 45  12 o 21.622  9.4031  31.595     92.058   13.558     97.048   193.562    290.819  21.024  9.3755  32.018  14.985  -10.99352      17.67616 
1 1 1 -10 45  13 o 21.874  8.3502  61.742     61.658   71.911     96.265   54.668     80.289   24.226  10.029  22.284  9.1857  1.942186       13.59968 
1 1 1 -10 45  14 o 42.220  7.5250  256.449    74.262   267.766    117.427  248.906    95.867   38.730  11.592  39.129  10.046  -0.3986244     15.33896 
1 1 1 -10 45  15 o 12.299  5.8938  -56.3180   50.387   -90.2680   80.581   -34.5215   64.566   15.022  7.2621  15.307  7.1297  -0.2849255     10.17697 
1 1 1 -10 45  16 o 19.070  8.1800  25.990     67.810   0.0000     0.0000   25.990     67.810   ?       ?       19.070  8.1800  0.000000       8.180047 
1 1 1 -10 46  1  o 51.245  5.9929  352.406    73.109   410.500    108.685  304.395    98.804   52.646  8.8203  44.608  9.4238  8.037560       12.90757 
1 1 1 -10 46  2  o 15.444  6.9052  -7.8292    53.013   51.649     92.023   -37.3729   64.856   22.859  9.6564  15.349  7.1481  7.509685       12.01424 
1 1 1 -10 46  3  o 50.567  7.0533  357.709    84.186   446.206    119.295  269.917    118.819  53.904  9.4663  39.088  11.651  14.81563       15.01212 
1 1 1 -10 46  4  o 34.635  8.9974  185.740    76.294   209.217    110.166  164.103    105.762  34.434  11.359  30.923  11.091  3.510809       15.87617 
1 1 1 -10 46  5  o 47.627  7.2971  322.046    81.641   316.828    115.732  327.215    115.184  43.234  11.004  44.215  10.824  -0.9801788     15.43527 
1 1 1 -10 46  6  o 26.691  8.8476  109.066    66.804   77.472     112.352  126.345    83.087   25.032  10.627  28.106  9.8555  -3.074102      14.49381 
1 1 1 -10 46  7  o 20.817  9.8216  -46.0767   129.436  -46.0767   129.436  0.0000     0.0000   20.817  9.8216  ?       ?       0.000000       9.821622 
1 1 1 -10 46  8  o 14.875  7.2882  -128.6218  88.944   -128.6218  88.944   0.0000     0.0000   14.875  7.2882  ?       ?       0.000000       7.288218 
1 1 1 -10 46  9  o 26.276  10.354  103.267    97.120   108.801    102.128  50.959     313.987  26.744  10.593  29.101  14.132  -2.357677      17.66161 
1 1 1 -10 46  10 o 28.075  10.553  127.508    97.549   129.269    102.433  110.352    319.703  28.195  10.763  30.087  14.525  -1.891850      18.07799 
1 1 1 -10 46  11 f 26.078  8.4273  102.693    60.773   34.382     94.627   150.651    79.286   21.753  9.4953  30.556  9.5984  -8.803541      13.50148 
1 1 1 -10 46  12 o 17.697  7.6209  15.980     59.285   122.662    96.347   -49.0264   75.209   27.502  10.453  15.926  7.5058  11.57586       12.86835 
1 1 1 -10 46  13 o 15.661  6.8713  3.2497     50.120   -144.2920  95.806   58.843     58.810   15.075  7.4212  21.203  8.1405  -6.128298      11.01557 
1 1 1 -10 46  14 o 26.343  9.2023  111.176    72.405   412.281    180.963  53.786     79.005   41.420  14.544  21.655  9.0346  19.76479       17.12139 
1 1 1 -10 47  1  o 49.262  6.4300  334.471    75.024   346.970    114.239  324.992    99.484   45.884  10.490  45.765  9.2765  0.1187096      14.00295 
1 1 1 -10 47  2  o 37.291  7.7122  203.874    67.480   244.160    106.662  176.989    87.134   37.382  11.014  32.628  10.032  4.754532       14.89761 
1 1 1 -10 47  3  o 21.859  8.1256  65.130     57.525   80.314     106.068  58.803     68.470   24.783  10.413  21.752  8.6550  3.031883       13.54008 
1 1 1 -10 47  4  o 36.903  8.8116  211.022    77.812   230.991    111.723  192.210    108.436  35.666  11.416  32.636  11.269  3.030132       16.04120 
1 1 1 -10 47  5  o 27.423  11.207  121.266    118.239  202.782    128.852  -313.2998  297.508  32.511  12.146  23.614  11.853  8.896540       16.97140 
1 1 1 -10 47  6  o 33.581  12.944  231.445    149.116  231.445    149.116  0.0000     0.0000   33.581  12.944  ?       ?       0.000000       12.94439 
1 1 1 -10 47  7  o 88.431  10.096  1251.03    212.751  1251.03    212.751  0.0000     0.0000   88.431  10.096  ?       ?       0.000000       10.09618 
1 1 1 -10 47  8  o 26.344  10.546  106.617    102.266  123.252    109.062  -14.5244   294.311  27.522  10.932  27.279  13.343  0.2434273      17.24913 
1 1 1 -10 47  9  o 61.895  5.6721  514.955    84.237   661.149    119.368  369.925    118.892  68.042  7.3467  46.915  10.683  21.12720       12.96571 
1 1 1 -10 47  10 o 32.562  8.4296  163.609    67.121   253.569    100.453  91.050     90.216   38.538  10.470  24.873  9.9229  13.66430       14.42539 
1 1 1 -10 47  11 o 16.322  7.1228  7.9710     53.217   -18.2461   86.877   23.716     67.327   18.253  8.4210  18.825  8.1140  -0.5728054     11.69399 
1 1 1 -10 47  12 o 18.890  8.0767  28.120     65.726   -213.5954  182.860  63.980     70.433   19.734  9.8101  21.907  8.7582  -2.172518      13.15078 
1 1 1 -10 47  13 o 26.043  9.4387  113.213    76.835   -8.2802    196.196  135.221    83.505   23.715  11.431  27.853  9.8697  -4.137632      15.10252 
1 1 1 -10 48  1  o 27.231  8.5085  115.423    62.396   199.014    99.128   60.571     80.299   33.496  10.756  22.299  9.1885  11.19684       14.14672 
1 1 1 -10 48  2  o 25.115  10.743  85.814     116.395  75.495     132.281  121.202    244.967  25.068  11.074  28.493  13.464  -3.425537      17.43352 
1 1 1 -10 48  3  o 61.423  10.744  633.632    154.292  674.205    177.629  508.940    311.397  60.382  12.534  37.079  16.646  23.30282       20.83706 
1 1 1 -10 48  4  o 61.418  10.389  621.956    149.303  656.333    168.329  495.150    323.289  60.774  11.841  36.336  16.569  24.43857       20.36487 
1 1 1 -10 48  5  o 52.186  13.456  541.560    171.483  541.560    171.483  0.0000     0.0000   52.186  13.456  ?       ?       0.000000       13.45598 
1 1 1 -10 48  6  o 31.894  11.388  188.672    111.383  188.672    111.383  0.0000     0.0000   31.894  11.388  ?       ?       0.000000       11.38836 
1 1 1 -10 48  7  o 34.668  8.1335  182.849    67.239   273.478    100.180  108.553    90.704   40.271  10.232  26.071  10.083  14.20030       14.36488 
1 1 1 -10 48  8  f 29.306  8.4334  134.617    63.199   114.541    96.797   149.533    83.437   26.416  10.360  29.663  9.8906  -3.246372      14.32329 
1 1 1 -10 48  9  o 23.365  8.3096  82.225     59.244   136.951    87.832   36.543     80.248   28.156  10.107  20.474  8.8415  7.681665       13.42818 
1 1 1 -10 48  10 o 36.359  9.6219  223.102    86.207   326.867    191.922  196.875    96.489   34.669  14.236  32.742  10.623  1.926987       17.76237 
1 1 1 -10 48  11 o 15.676  7.2290  -18.4548   63.918   89.088     170.127  -36.1300   68.971   25.307  11.713  15.392  7.2338  9.914130       13.76710 
1 1 1 -10 49  1  o 27.571  10.997  133.301    110.790  129.152    119.380  159.058    297.457  27.290  11.219  29.017  14.009  -1.727621      17.94774 
1 1 1 -10 49  2  o 28.696  11.631  153.302    126.080  196.557    144.710  17.003     256.879  30.815  12.471  26.190  12.733  4.625216       17.82295 
1 1 1 -10 49  3  o 34.267  11.031  215.689    104.205  136.954    111.305  774.456    296.514  27.855  11.050  46.186  18.126  -18.33038      21.22924 
1 1 1 -10 49  4  o 24.416  10.443  80.693     109.966  80.693     109.966  0.0000     0.0000   24.416  10.443  ?       ?       0.000000       10.44341 
1 1 1 -10 49  5  o 25.218  10.455  97.846     104.845  97.846     104.845  0.0000     0.0000   25.218  10.455  ?       ?       0.000000       10.45469 
1 1 1 -10 49  6  o 27.442  9.0880  123.659    70.489   192.315    112.559  79.360     90.414   31.446  11.420  23.615  9.7426  7.830963       15.01113 
1 1 1 -10 49  7  o 11.870  5.6639  -45.5945   45.480   -97.1658   73.289   -13.2971   57.999   13.718  6.6985  15.353  7.0074  -1.635237      9.694005 
1 1 1 -10 49  8  o 21.073  8.8079  54.447     75.284   20.551     185.365  61.142     82.385   23.804  11.380  21.832  9.1751  1.972198       14.61791 
1 1 1 -10 49  9  o 24.196  9.3724  96.894     78.471   468.554    194.721  24.832     85.742   39.979  14.932  19.668  8.7886  20.31111       17.32664 
1 1 1 -10 50  1  o 20.721  8.0385  57.382     57.789   102.518    95.992   31.723     72.374   25.239  10.177  19.552  8.4200  5.687010       13.20864 
1 1 1 -10 50  2  o 24.525  8.9986  95.193     70.146   93.610     108.005  96.348     92.251   24.799  10.468  24.733  9.9753  0.6594086E-01  14.45974 
1 1 1 -10 50  3  f 30.216  11.272  178.303    110.889  178.303    110.889  0.0000     0.0000   30.216  11.272  ?       ?       0.000000       11.27184 
1 1 1 -10 50  4  o 24.635  10.276  96.115     102.173  96.115     102.173  0.0000     0.0000   24.635  10.276  ?       ?       0.000000       10.27579 
1 1 1 -10 50  5  o 23.439  9.4522  84.796     82.818   305.207    171.836  18.108     94.520   33.930  13.639  19.994  9.0551  13.93556       16.37133 
1 1 1 -10 50  6  o 32.156  10.473  196.220    93.753   210.105    197.952  192.205    106.448  28.591  13.009  30.772  11.116  -2.180998      17.11175 
1 1 1 -10 50  7  o 21.742  9.1496  66.452     82.106   289.201    173.829  2.4841     93.153   31.817  13.347  18.887  8.7159  12.92989       15.94090 
1 1 1 -10 51  1  o 43.152  7.7263  283.194    77.927   173.551    114.166  378.841    106.631  29.253  11.312  47.573  9.5691  -18.31989      14.81673 
1 1 1 -10 51  2  o 22.175  10.679  -16.5493   170.256  -16.5493   170.256  0.0000     0.0000   22.175  10.679  ?       ?       0.000000       10.67904 
1 1 1 -10 51  3  o 22.567  10.847  4.8475     173.580  4.8475     173.580  0.0000     0.0000   22.567  10.847  ?       ?       0.000000       10.84726 
1 1 1 -10 51  4  o 20.960  8.9423  56.362     80.258   15.001     167.403  68.706     91.453   22.373  10.727  22.077  9.4856  0.2956448      14.31946 
1 1 1 -10 51  5  o 26.013  9.8735  128.560    85.895   195.307    177.710  108.214    98.117   27.211  12.360  24.302  10.098  2.908844       15.96026 
1 1 1 -10 52  1  o 19.306  9.4415  -79.0872   147.240  -79.0872   147.240  0.0000     0.0000   19.306  9.4415  ?       ?       0.000000       9.441494 
1 1 1 -10 52  2  o 21.361  10.290  2.4815     158.405  2.4815     158.405  0.0000     0.0000   21.361  10.290  ?       ?       0.000000       10.29035 
1 1 1 -9  -58 26 o 19.507  8.9260  59.215     94.881   183.539    223.424  31.861     104.800  22.420  11.092  18.665  8.8161  3.754618       14.16897 
1 1 1 -9  -58 27 o 17.965  8.4116  22.306     91.810   -115.5594  230.707  48.247     100.075  19.092  9.6785  19.236  8.9319  -0.1443233     13.17011 
1 1 1 -9  -58 28 o 16.076  7.7484  -30.4866   90.101   270.496    226.215  -87.2373   98.228   24.111  11.773  15.066  7.4357  9.044901       13.92430 
1 1 1 -9  -58 29 o 16.757  7.8932  -0.2554    82.972   -169.2305  208.916  31.388     90.407   18.296  9.2682  18.395  8.5231  -0.9919357E-01 12.59141 
1 1 1 -9  -58 30 o 20.024  8.8263  67.469     83.563   -135.8400  225.675  99.774     89.957   19.036  9.6419  21.879  9.4042  -2.842913      13.46870 
1 1 1 -9  -58 31 o 15.455  7.3888  -27.6434   78.170   22.353     222.263  -34.7006   83.505   20.753  10.393  15.595  7.5027  5.158241       12.81798 
1 1 1 -9  -58 32 o 17.934  8.2047  28.212     80.104   -138.1058  222.421  52.999     85.866   19.028  9.6309  19.356  8.7108  -0.3282471     12.98583 
1 1 1 -9  -58 33 o 15.329  7.0793  -1.0199    61.627   39.717     96.915   -28.6744   79.851   19.070  8.8318  15.565  7.4487  3.504794       11.55351 
1 1 1 -9  -58 34 o 18.370  7.9332  46.351     64.616   31.602     107.792  54.624     80.728   19.092  8.9942  19.341  8.5924  -0.2488785     12.43885 
1 1 1 -9  -58 35 o 16.119  7.4137  6.8293     66.610   77.733     96.317   -58.1666   92.218   20.765  9.2942  15.512  7.5615  5.252741       11.98160 
1 1 1 -9  -58 36 o 16.716  7.6281  15.818     68.682   114.701    100.688  -70.2290   93.925   22.618  9.8352  15.296  7.4934  7.321870       12.36453 
1 1 1 -9  -58 37 o 17.373  7.7446  30.274     66.165   8.4678     91.713   53.943     95.548   17.615  8.2978  19.605  8.9660  -1.989786      12.21650 
1 1 1 -9  -58 38 o 15.882  7.4302  -4.3584    71.380   -3.9890    91.850   -4.9217    113.420  17.142  8.1425  18.072  8.7065  -0.9304657     11.92071 
1 1 1 -9  -58 39 o 18.895  8.7003  41.535     92.083   41.535     92.083   0.0000     0.0000   18.895  8.7003  ?       ?       0.000000       8.700285 
1 1 1 -9  -58 40 f 22.234  10.206  119.989    125.400  119.989    125.400  0.0000     0.0000   22.234  10.206  ?       ?       0.000000       10.20603 
1 1 1 -9  -57 21 o 15.075  6.9918  -5.4497    61.065   -69.3383   91.461   45.935     82.024   15.180  7.4276  18.946  8.5211  -3.765978      11.30389 
1 1 1 -9  -57 22 o 14.358  6.7389  -18.2150   59.531   10.727     89.122   -41.5327   79.994   17.741  8.3007  15.227  7.3298  2.514615       11.07378 
1 1 1 -9  -57 23 o 16.706  7.4844  19.440     62.617   64.190     93.894   -16.4047   84.033   20.378  9.1448  16.477  7.8154  3.901659       12.02947 
1 1 1 -9  -57 24 o 23.903  8.8761  110.326    68.607   84.563     101.847  131.728    92.830   21.567  9.6120  24.435  9.9517  -2.868452      13.83571 
1 1 1 -9  -57 25 o 24.598  8.9660  117.246    69.475   95.227     100.775  137.191    95.910   22.202  9.7422  24.788  10.108  -2.586338      14.03841 
1 1 1 -9  -57 26 o 15.341  7.0667  -4.2871    60.843   47.101     90.714   -46.3067   82.029   19.710  8.9038  15.415  7.4209  4.295530       11.59080 
1 1 1 -9  -57 27 o 14.232  6.8671  -53.8056   71.244   -341.9742  203.322  -13.4719   76.067   ?       ?       16.208  7.6105  0.000000       7.610520 
1 1 1 -9  -57 28 o 18.563  8.3596  31.525     79.245   279.562    211.073  -9.1735    85.500   26.671  12.571  17.075  8.0338  9.596460       14.91909 
1 1 1 -9  -57 29 o 18.221  7.9667  35.781     66.854   7.1633     100.856  58.210     89.288   18.576  8.7356  20.366  9.0427  -1.789631      12.57303 
1 1 1 -9  -57 30 o 27.208  10.359  164.673    94.736   234.810    251.048  153.027    102.300  25.165  12.312  25.909  10.485  -0.7438545     16.17170 
1 1 1 -9  -57 31 o 17.008  7.9130  -2.0772    79.177   -63.2576   218.297  7.1905     84.962   20.746  10.376  17.780  8.2467  2.965870       13.25396 
1 1 1 -9  -57 32 o 20.539  8.9498  62.564     83.739   -18.1805   219.146  76.369     90.615   21.380  10.646  21.455  9.3298  -0.7453728E-01 14.15578 
1 1 1 -9  -57 33 o 11.573  5.7895  -137.9885  68.182   -89.9761   203.665  -144.0488  72.358   20.114  10.054  11.899  5.9545  8.214865       11.68502 
1 1 1 -9  -57 34 o 52.478  9.7056  505.824    119.032  1008.34    218.137  292.746    142.044  60.877  14.891  31.557  12.495  29.31952       19.43826 
1 1 1 -9  -57 35 o 23.258  10.263  109.642    113.264  0.0000     0.0000   109.642    113.264  ?       ?       23.258  10.263  0.000000       10.26267 
1 1 1 -9  -57 36 o 24.221  9.7574  119.201    88.152   195.295    185.322  96.950     100.215  25.365  11.900  22.646  9.8296  2.719324       15.43502 
1 1 1 -9  -57 37 o 16.858  7.6945  8.4617     69.936   3.7427     93.799   14.369     104.947  18.137  8.4953  19.068  8.9489  -0.9316044     12.33910 
1 1 1 -9  -57 38 o 30.170  10.815  208.867    100.534  208.867    100.534  0.0000     0.0000   30.170  10.815  ?       ?       0.000000       10.81459 
1 1 1 -9  -57 39 o 16.784  7.8095  -3.0564    77.140   45.374     87.035   -180.4389  166.568  19.625  8.8059  17.595  8.8368  2.030581       12.47529 
1 1 1 -9  -57 40 o 12.056  5.8703  -64.5372   55.151   -8.9397    88.461   -99.8874   70.538   17.264  8.1375  12.745  6.2922  4.518526       10.28641 
1 1 1 -9  -57 41 o 22.439  8.2838  89.305     59.581   97.327     103.630  85.344     72.821   22.434  9.8608  21.810  8.8394  0.6244297      13.24277 
1 1 1 -9  -57 42 o 20.587  9.4566  57.572     107.904  51.646     124.109  75.922     218.400  20.710  9.7236  22.337  11.036  -1.626785      14.70835 
1 1 1 -9  -57 43 o 16.486  8.0042  -51.9777   100.577  17.462     114.243  -291.2491  212.066  19.234  9.1204  17.790  9.0444  1.444389       12.84453 
1 1 1 -9  -57 44 o 25.390  10.652  161.697    110.725  146.256    130.826  200.685    207.888  23.962  10.771  24.229  11.701  -0.2667007     15.90323 
1 1 1 -9  -57 45 f 19.310  7.4990  59.829     50.334   -15.0089   119.894  75.842     55.458   18.295  8.8476  20.898  7.9332  -2.602915      11.88345 
1 1 1 -9  -56 17 o 24.544  8.8439  116.159    67.316   177.789    105.925  74.405     87.186   26.779  10.728  20.919  9.1233  5.859892       14.08297 
1 1 1 -9  -56 18 o 28.166  8.9749  150.788    69.113   100.497    102.646  192.495    93.477   22.563  9.8681  29.306  10.436  -6.743488      14.36296 
1 1 1 -9  -56 19 o 13.198  6.3145  -42.6563   57.328   -78.6266   87.843   -15.9705   75.661   14.975  7.3172  16.117  7.5749  -1.141394      10.53191 
1 1 1 -9  -56 20 o 16.800  7.3716  22.066     57.695   7.5354     79.162   38.529     84.263   17.479  8.0551  19.272  8.6548  -1.793058      11.82324 
1 1 1 -9  -56 21 o 17.298  7.5218  27.243     58.892   -11.0252   80.513   71.278     86.366   16.818  7.8756  21.248  9.1739  -4.429237      12.09069 
1 1 1 -9  -56 22 o 24.527  8.5416  107.086    62.358   144.543    87.348   68.154     89.052   26.507  9.9812  21.196  9.2330  5.310432       13.59678 
1 1 1 -9  -56 23 o 20.926  8.2304  69.888     61.254   106.797    84.863   29.743     88.505   23.767  9.5740  19.236  8.7318  4.531162       12.95782 
1 1 1 -9  -56 24 o 14.819  6.9235  -20.9107   61.635   -32.4128   89.150   -10.3790   85.306   16.760  7.9787  17.318  8.1086  -0.5583363     11.37577 
1 1 1 -9  -56 25 o 16.088  7.3217  0.9412     62.733   -56.3008   89.734   55.662     87.736   16.037  7.7305  20.630  9.0703  -4.592510      11.91769 
1 1 1 -9  -56 26 o 20.450  8.4813  61.089     69.038   164.307    105.332  -16.6462   91.410   27.288  10.774  17.548  8.2715  9.739840       13.58267 
1 1 1 -9  -56 27 o 20.519  8.3412  62.962     65.063   68.450     96.332   58.359     88.226   21.619  9.5047  20.861  9.1357  0.7574558      13.18334 
1 1 1 -9  -56 28 o 20.134  8.1259  59.261     61.260   75.054     97.812   49.068     78.580   22.029  9.6339  20.005  8.6938  2.023983       12.97663 
1 1 1 -9  -56 29 o 24.883  8.8231  110.185    66.745   75.070     106.085  133.192    85.870   22.199  9.8567  26.049  9.8757  -3.849548      13.95297 
1 1 1 -9  -56 30 o 24.540  8.8739  107.099    67.860   42.424     107.471  149.983    87.512   20.788  9.5077  27.380  10.050  -6.591774      13.83483 
1 1 1 -9  -56 31 o 30.215  8.9168  162.014    69.862   191.126    106.015  139.668    92.882   29.354  11.007  26.282  10.192  3.072163       15.00147 
1 1 1 -9  -56 32 o 35.996  8.7698  222.044    75.891   182.535    116.667  251.025    99.922   28.092  11.257  35.107  10.734  -7.015068      15.55484 
1 1 1 -9  -56 33 o 27.381  9.2471  138.276    72.936   144.572    100.765  131.346    105.706  26.335  10.493  25.331  10.499  1.003719       14.84383 
1 1 1 -9  -56 34 o 37.110  11.095  286.094    107.618  274.240    199.674  290.947    127.762  28.654  13.049  34.566  12.212  -5.911221      17.87225 
1 1 1 -9  -56 35 o 18.038  8.3746  -0.7385    87.944   -52.4873   168.735  18.562     103.047  20.387  9.9989  19.671  9.1088  0.7164116      13.52585 
1 1 1 -9  -56 36 o 20.187  9.8757  -49.7230   161.491  -49.7230   161.491  0.0000     0.0000   20.187  9.8757  ?       ?       0.000000       9.875700 
1 1 1 -9  -56 37 o 21.929  10.584  21.210     169.481  21.210     169.481  0.0000     0.0000   21.929  10.584  ?       ?       0.000000       10.58382 
1 1 1 -9  -56 38 o 23.144  11.046  70.412     173.198  70.412     173.198  0.0000     0.0000   23.144  11.046  ?       ?       0.000000       11.04624 
1 1 1 -9  -56 39 o 35.711  9.5919  233.718    84.876   308.917    176.419  211.070    96.817   30.933  13.229  31.831  10.654  -0.8977165     16.98621 
1 1 1 -9  -56 40 o 23.212  8.2485  90.945     58.364   192.847    95.561   30.319     73.709   30.331  10.573  18.646  8.2505  11.68558       13.41131 
1 1 1 -9  -56 41 o 23.040  8.0293  88.577     55.108   37.268     92.621   116.693    68.564   19.922  8.9984  25.386  8.9489  -5.464392      12.69065 
1 1 1 -9  -56 42 o 16.115  6.9095  20.856     48.343   -102.0796  86.549   76.603     58.281   14.457  7.1048  21.654  8.1532  -7.196663      10.81449 
1 1 1 -9  -56 43 o 18.832  7.6432  48.078     54.526   20.361     94.919   61.730     66.613   19.173  8.8299  20.374  8.3790  -1.201473      12.17271 
1 1 1 -9  -56 44 o 17.270  7.1933  33.673     49.966   79.606     88.529   12.201     60.528   21.927  9.3743  16.504  7.3788  5.422537       11.92994 
1 1 1 -9  -56 45 o 10.201  5.0292  -75.7890   44.514   -64.6111   97.624   -78.7231   50.016   16.268  7.8957  10.928  5.3765  5.340006       9.552464 
1 1 1 -9  -56 46 o 20.309  7.9906  65.140     57.755   0.0000     0.0000   65.140     57.755   ?       ?       20.309  7.9906  0.000000       7.990614 
1 1 1 -9  -56 47 o 19.651  8.0919  57.668     62.227   0.0000     0.0000   57.668     62.227   ?       ?       19.651  8.0919  0.000000       8.091907 
1 1 1 -9  -56 48 o 25.724  9.0032  127.410    69.321   0.0000     0.0000   127.410    69.321   ?       ?       25.724  9.0032  0.000000       9.003162 
1 1 1 -9  -55 14 o 28.010  8.8981  145.766    67.974   186.162    102.372  113.913    90.906   28.312  10.771  23.788  9.7862  4.524536       14.55294 
1 1 1 -9  -55 15 o 24.977  8.8738  114.874    67.545   141.690    105.270  96.108     88.062   25.404  10.499  22.852  9.5365  2.552332       14.18384 
1 1 1 -9  -55 16 o 15.474  7.1197  -7.5524    61.507   -17.3893   94.920   -0.4325    80.754   17.670  8.3595  17.408  8.0619  0.2624569      11.61358 
1 1 1 -9  -55 17 o 16.656  7.3382  16.993     57.689   -23.3213   89.480   45.671     75.467   17.172  8.1216  19.630  8.5252  -2.457205      11.77454 
1 1 1 -9  -55 18 o 43.344  7.6634  296.072    77.647   415.838    119.601  208.816    102.086  46.275  10.842  31.110  10.924  15.16508       15.39037 
1 1 1 -9  -55 19 o 30.383  8.6689  159.569    67.049   146.711    93.611   173.115    96.080   26.908  10.285  28.853  10.540  -1.944185      14.72639 
1 1 1 -9  -55 20 o 22.520  8.4358  83.505     62.235   92.464     85.810   73.562     90.395   23.186  9.5196  22.019  9.4447  1.166546       13.40993 
1 1 1 -9  -55 21 o 22.368  8.5153  81.591     64.009   42.965     88.434   124.093    92.765   20.285  9.0035  25.412  10.086  -5.126717      13.51986 
1 1 1 -9  -55 22 o 23.228  8.5364  90.014     63.163   28.607     91.354   146.254    87.427   19.735  8.9233  27.428  10.049  -7.692598      13.43878 
1 1 1 -9  -55 23 o 15.976  7.1861  2.7844     58.363   -24.9076   81.387   32.099     83.737   16.713  7.8554  19.541  8.7119  -2.828518      11.73046 
1 1 1 -9  -55 24 o 19.049  7.8393  45.178     58.358   -19.9113   80.477   117.365    84.751   16.855  7.8866  25.223  9.7487  -8.368393      12.53934 
1 1 1 -9  -55 25 o 13.498  6.5065  -61.2585   63.550   -0.7423    69.417   -374.5125  157.935  16.823  7.6736  15.482  7.8647  1.340351       10.98804 
1 1 1 -9  -55 26 o 23.195  9.1696  90.145     76.394   98.747     85.674   56.768     168.764  23.830  9.6124  23.255  11.044  0.5743332      14.64124 
1 1 1 -9  -55 27 o 24.111  8.2704  96.314     58.354   19.817     84.359   166.502    80.805   18.988  8.5812  29.927  9.7216  -10.93902      12.96717 
1 1 1 -9  -55 28 o 39.951  7.3199  243.908    68.343   245.124    102.073  242.919    92.011   34.927  10.878  36.144  10.100  -1.217293      14.84388 
1 1 1 -9  -55 29 o 27.457  8.3608  126.446    60.706   124.951    89.739   127.707    82.427   25.745  10.009  26.221  9.7307  -0.4753819     13.95932 
1 1 1 -9  -55 30 o 20.233  8.3235  55.186     65.761   171.330    104.703  -20.4775   84.509   28.595  10.890  17.192  8.0564  11.40218       13.54582 
1 1 1 -9  -55 31 o 12.640  6.1154  -63.8999   57.410   -33.8962   88.540   -85.6660   75.412   16.996  8.0503  14.023  6.8361  2.972865       10.56126 
1 1 1 -9  -55 32 o 21.878  8.6768  74.306     68.609   162.130    97.079   -13.3321   96.976   28.347  10.552  18.378  8.6178  9.968540       13.62403 
1 1 1 -9  -55 33 o 22.608  8.7928  82.688     69.279   95.779     98.318   69.779     97.637   23.707  9.9961  22.202  9.6696  1.504522       13.90768 
1 1 1 -9  -55 34 o 19.423  8.2667  42.522     68.288   82.553     99.601   7.0141     93.806   22.958  9.8822  19.004  8.7617  3.953869       13.20697 
1 1 1 -9  -55 35 o 19.894  9.0469  24.789     95.553   24.789     95.553   0.0000     0.0000   19.894  9.0469  ?       ?       0.000000       9.046938 
1 1 1 -9  -55 36 o 34.656  11.009  243.835    104.052  243.835    104.052  0.0000     0.0000   34.656  11.009  ?       ?       0.000000       11.00895 
1 1 1 -9  -55 37 o 30.530  10.407  183.223    92.390   346.612    171.659  116.590    109.622  34.423  13.702  24.970  10.543  9.453104       17.28882 
1 1 1 -9  -55 38 o 25.450  9.0365  113.041    70.035   33.437     173.181  128.604    76.576   22.878  10.954  26.644  9.4503  -3.766047      14.46686 
1 1 1 -9  -55 39 o 16.063  7.1965  4.0455     57.892   -77.8675   149.656  18.460     62.780   19.529  9.5438  17.430  7.6680  2.098066       12.24263 
1 1 1 -9  -55 40 o 17.480  7.6554  20.208     61.961   104.213    152.041  3.4776     67.851   24.564  11.262  16.959  7.6772  7.604382       13.62962 
1 1 1 -9  -55 41 o 16.092  7.2441  2.1150     59.438   -11.0826   147.772  4.6623     64.921   20.996  10.070  16.762  7.5559  4.233860       12.58949 
1 1 1 -9  -55 42 o 25.765  8.6215  113.226    63.395   223.861    103.923  47.657     80.005   32.874  11.038  20.323  8.8019  12.55143       14.11801 
1 1 1 -9  -55 43 o 12.657  6.0325  -43.4012   51.276   50.926     93.161   -84.3960   61.416   21.020  9.2895  12.432  6.0837  8.587891       11.10434 
1 1 1 -9  -55 44 o 20.072  7.1013  60.009     43.213   41.443     93.759   65.016     48.694   20.520  9.1783  20.702  7.5123  -0.1823387     11.86065 
1 1 1 -9  -55 45 o 24.531  7.7286  97.388     51.363   0.0000     0.0000   97.388     51.363   ?       ?       24.531  7.7286  0.000000       7.728603 
1 1 1 -9  -55 46 o 26.822  9.1061  129.484    70.733   0.0000     0.0000   129.484    70.733   ?       ?       26.822  9.1061  0.000000       9.106122 
1 1 1 -9  -55 47 o 14.950  6.7670  -2.8023    52.697   -18.0536   121.099  0.7604     58.530   19.344  9.2338  15.783  7.1390  3.560639       11.67169 
1 1 1 -9  -55 48 o 18.663  7.6975  44.101     56.420   193.634    119.850  1.5270     63.950   28.530  11.418  16.286  7.4041  12.24426       13.60857 
1 1 1 -9  -55 49 o 27.476  8.4646  131.822    62.001   183.932    128.707  116.075    70.751   27.264  11.463  25.118  9.0644  2.146259       14.61420 
1 1 1 -9  -55 50 o 16.874  7.3601  22.872     56.759   -141.7594  137.739  56.546     62.294   17.067  8.4888  19.740  8.1086  -2.673279      11.73926 
1 1 1 -9  -54 11 o 31.817  8.8677  180.396    71.020   195.624    108.830  169.102    93.728   29.006  11.089  28.170  10.392  0.8355675      15.19694 
1 1 1 -9  -54 12 o 27.725  8.8327  137.348    66.943   117.752    99.091   153.800    90.796   24.506  10.162  27.421  10.205  -2.915146      14.40204 
1 1 1 -9  -54 13 o 28.721  8.6726  143.416    65.518   84.217     99.224   189.181    87.242   22.721  9.8214  31.123  10.101  -8.402098      14.08865 
1 1 1 -9  -54 14 o 16.182  7.3478  -0.5834    62.737   146.654    95.612   -111.9037  83.136   27.019  10.378  14.024  6.9058  12.99510       12.46589 
1 1 1 -9  -54 15 o 20.713  8.4492  60.834     67.048   15.002     98.233   100.808    91.740   19.561  8.9990  23.966  9.8419  -4.405315      13.33584 
1 1 1 -9  -54 16 o 41.839  7.7846  273.139    76.120   310.870    112.651  241.436    103.260  39.407  11.234  34.584  10.965  4.822689       15.69832 
1 1 1 -9  -54 17 f 29.450  8.6406  146.541    65.771   84.008     91.389   213.728    94.730   23.032  9.6706  33.213  10.499  -10.18105      14.27432 
1 1 1 -9  -54 18 o 17.065  7.4388  18.215     57.900   5.8907     81.105   31.023     82.684   18.217  8.3039  19.622  8.7077  -1.404867      12.03241 
1 1 1 -9  -54 19 o 24.843  8.6309  103.204    63.650   133.589    83.777   61.718     97.892   26.934  9.8414  21.976  9.6235  4.957777       13.76462 
1 1 1 -9  -54 20 o 19.759  8.0103  50.663     59.818   87.811     84.377   13.127     84.817   23.307  9.4894  18.862  8.5567  4.444471       12.77758 
1 1 1 -9  -54 21 o 31.652  8.3767  164.057    65.336   100.171    90.257   234.390    94.702   24.218  9.8320  35.363  10.366  -11.14548      14.28730 
1 1 1 -9  -54 22 o 22.500  8.4005  79.776     61.616   50.549     84.283   113.327    90.304   20.867  9.0360  25.159  9.9620  -4.291613      13.44956 
1 1 1 -9  -54 23 o 31.529  8.3456  162.641    64.845   131.041    92.024   193.805    91.388   26.439  10.175  31.867  10.338  -5.427250      14.50545 
1 1 1 -9  -54 24 o 15.293  6.9083  -3.7196    54.603   30.720     73.344   -46.5421   81.784   19.072  8.3414  16.067  7.6470  3.005188       11.31619 
1 1 1 -9  -54 25 o 21.186  8.1185  66.841     58.423   91.099     82.376   42.289     82.872   23.520  9.4474  20.298  8.8725  3.221910       12.96048 
1 1 1 -9  -54 26 o 17.892  7.4777  32.626     54.256   51.265     78.340   15.445     75.215   20.643  8.8217  18.310  8.2029  2.333340       12.04615 
1 1 1 -9  -54 27 o 29.035  9.7796  154.837    81.576   161.924    93.655   132.555    166.059  28.849  10.426  25.895  11.834  2.954521       15.77157 
1 1 1 -9  -54 28 f 26.678  9.5479  127.814    78.334   106.635    88.219   206.752    170.313  24.672  9.8219  28.554  12.593  -3.882257      15.97019 
1 1 1 -9  -54 29 o 13.568  6.3566  -29.6334   52.554   -12.8707   79.312   -42.7543   70.170   17.226  7.9818  15.068  7.1458  2.157190       10.71314 
1 1 1 -9  -54 30 o 19.556  7.9771  48.284     59.764   42.770     81.901   54.564     87.406   20.291  8.8460  21.230  9.1975  -0.9393425     12.76110 
1 1 1 -9  -54 31 o 17.106  7.5927  11.722     62.892   -13.0313   87.360   38.353     90.614   17.868  8.3126  20.480  9.1007  -2.612425      12.32571 
1 1 1 -9  -54 32 o 16.593  7.4610  3.3604     62.843   23.780     87.473   -18.4212   90.344   19.569  8.8006  17.876  8.3618  1.693453       12.13961 
1 1 1 -9  -54 33 o 23.426  9.0056  89.744     72.031   73.999     95.213   110.814    110.144  22.629  9.6994  24.921  10.548  -2.291893      14.32971 
1 1 1 -9  -54 34 o 17.831  8.2864  -12.4825   86.418   -12.4825   86.418   0.0000     0.0000   17.831  8.2864  ?       ?       0.000000       8.286371 
1 1 1 -9  -54 35 o 13.132  6.4996  -126.9402  76.998   -179.3894  83.729   160.462    195.999  12.677  6.3528  26.805  12.464  -14.12775      13.98956 
1 1 1 -9  -54 36 o 13.581  6.3970  -34.7785   54.479   -123.8262  81.692   36.545     73.111   13.716  6.7713  19.467  8.4227  -5.750787      10.80703 
1 1 1 -9  -54 37 o 20.829  7.9582  63.237     56.034   136.642    96.022   25.334     69.001   26.837  10.376  18.487  8.0879  8.350754       13.15543 
1 1 1 -9  -54 38 o 11.240  5.4715  -66.2144   47.820   -19.8718   86.867   -86.3644   57.280   17.583  8.2166  11.895  5.8323  5.688190       10.07614 
1 1 1 -9  -54 39 o 11.945  5.7955  -66.1649   52.482   4.2181     89.035   -103.6420  64.969   18.791  8.6162  12.369  6.0937  6.421837       10.55332 
1 1 1 -9  -54 40 o 33.492  9.5244  196.903    81.074   410.987    178.943  141.605    90.944   38.215  14.306  27.469  10.216  10.74625       17.57935 
1 1 1 -9  -54 41 o 20.941  8.4984  60.102     67.401   136.766    163.745  44.463     73.957   26.296  11.913  20.089  8.5778  6.207430       14.67999 
1 1 1 -9  -54 42 o 15.235  6.9669  -11.5348   57.677   -79.8308   158.750  -1.1486    61.908   20.229  9.8739  16.294  7.3584  3.935261       12.31424 
1 1 1 -9  -54 43 o 20.289  8.4767  50.280     69.687   315.015    169.627  -3.4738    76.436   33.918  13.580  17.507  8.0112  16.41058       15.76732 
1 1 1 -9  -54 44 o 27.508  7.6257  118.627    52.667   0.0000     0.0000   118.627    52.667   ?       ?       27.508  7.6257  0.000000       7.625741 
1 1 1 -9  -54 45 o 24.810  7.5164  96.111     49.153   0.0000     0.0000   96.111     49.153   ?       ?       24.810  7.5164  0.000000       7.516367 
1 1 1 -9  -54 46 o 20.361  7.1453  60.902     43.677   91.674     99.721   53.597     48.585   23.807  10.054  19.612  7.4302  4.195089       12.50193 
1 1 1 -9  -54 47 o 38.228  5.7688  205.296    51.845   202.594    100.521  206.276    60.515   31.814  10.855  37.222  6.9562  -5.407413      12.89283 
1 1 1 -9  -54 48 o 17.402  7.4204  25.898     55.211   -16.6023   128.436  35.532     61.149   20.166  9.5937  18.579  7.8613  1.587185       12.40319 
1 1 1 -9  -54 49 o 24.401  8.4113  99.001     60.397   177.690    127.292  76.139     68.612   28.116  11.575  22.084  8.7027  6.032610       14.48172 
1 1 1 -9  -54 50 o 24.783  8.7382  105.485    65.378   225.061    140.088  72.190     73.921   29.928  12.211  21.745  8.8711  8.183062       15.09332 
1 1 1 -9  -54 51 o 20.233  8.3221  57.015     65.724   -29.3002   136.624  83.004     74.968   19.822  9.5511  22.460  9.0157  -2.637383      13.13421 
1 1 1 -9  -54 52 o 32.455  8.8326  184.098    71.415   296.346    151.840  152.214    80.925   32.206  12.865  28.049  9.7326  4.157101       16.13176 
1 1 1 -9  -53 8  o 32.103  11.423  235.423    111.971  236.919    122.965  228.160    270.917  31.109  11.812  26.171  12.801  4.937477       17.41804 
1 1 1 -9  -53 9  o 25.817  10.118  130.018    92.273   170.555    105.906  2.2713     188.004  28.164  10.894  22.191  10.813  5.972397       15.34908 
1 1 1 -9  -53 10 o 39.966  10.801  308.735    107.232  257.186    125.775  445.926    205.184  33.161  12.067  35.903  14.728  -2.741817      19.04060 
1 1 1 -9  -53 11 o 36.256  10.945  259.871    104.365  292.199    120.058  159.890    211.135  36.887  11.837  26.477  12.508  10.41069       17.22092 
1 1 1 -9  -53 12 o 27.125  10.307  139.906    93.672   182.280    106.370  -6.4583    197.692  29.753  11.051  22.909  11.146  6.844000       15.69578 
1 1 1 -9  -53 13 o 23.635  9.8769  89.005     94.643   132.029    108.626  -46.5810   192.835  26.333  10.749  22.141  10.823  4.191862       15.25438 
1 1 1 -9  -53 14 o 13.288  6.5599  -121.0266  76.632   -116.6693  82.189   -150.0178  212.003  14.000  6.8885  21.179  10.534  -7.179837      12.58637 
1 1 1 -9  -53 15 o 31.572  11.142  201.016    106.321  192.460    121.096  229.799    222.109  30.021  11.639  28.942  13.392  1.079458       17.74277 
1 1 1 -9  -53 16 o 10.331  5.2001  -157.0352  59.413   -165.9845  62.352   -68.7476   195.841  10.526  5.3019  22.015  10.792  -11.48881      12.02428 
1 1 1 -9  -53 17 o 13.782  6.6966  -82.2633   70.766   -117.4121  75.472   173.479    203.579  13.277  6.5460  27.637  12.800  -14.36014      14.37637 
1 1 1 -9  -53 18 f 21.254  8.3748  64.282     63.531   5.9309     87.788   128.447    92.057   18.897  8.6237  26.570  10.189  -7.672407      13.34834 
1 1 1 -9  -53 19 o 15.374  7.0078  -9.9126    57.760   -105.1098  78.857   100.281    84.841   13.979  6.8518  24.479  9.6677  -10.50035      11.84953 
1 1 1 -9  -53 20 o 18.680  7.7385  37.924     57.382   4.3451     78.371   76.729     84.249   18.112  8.2197  22.757  9.3980  -4.645222      12.48537 
1 1 1 -9  -53 21 o 23.262  8.4867  85.710     62.266   51.156     82.680   130.986    94.642   21.021  9.0250  26.676  10.304  -5.655611      13.69766 
1 1 1 -9  -53 22 o 44.808  6.7751  292.386    71.362   335.882    99.376   246.076    102.540  44.725  9.4532  35.857  10.855  8.867432       14.39393 
1 1 1 -9  -53 23 o 12.747  6.1037  -51.9717   53.795   -146.1335  72.983   60.043     79.602   12.265  6.1133  21.477  9.0219  -9.211539      10.89806 
1 1 1 -9  -53 24 o 28.935  8.4810  137.290    63.391   61.934     87.183   221.821    92.337   21.885  9.3281  34.841  10.243  -12.95593      13.85364 
1 1 1 -9  -53 25 o 38.967  7.1450  225.871    65.067   304.065    93.989   153.907    90.166   42.648  9.3413  28.744  10.248  13.90314       13.86675 
1 1 1 -9  -53 26 o 12.236  5.8284  -43.7996   47.719   -38.9408   71.466   -47.7089   64.103   15.476  7.3005  14.276  6.7874  1.199780       9.968303 
1 1 1 -9  -53 27 o 9.2862  4.6530  -112.2500  44.853   -101.7269  63.894   -122.4740  62.980   12.336  6.0705  11.634  5.7787  0.7021179      8.381232 
1 1 1 -9  -53 28 o 16.079  7.0329  10.262     52.149   -33.4067   75.651   49.802     71.986   16.145  7.5838  20.471  8.5884  -4.326035      11.45756 
1 1 1 -9  -53 29 o 32.727  8.1668  170.079    64.643   189.871    85.591   143.798    98.627   32.530  9.9326  27.623  10.557  4.906645       14.49518 
1 1 1 -9  -53 30 o 21.977  8.3221  72.283     60.931   73.801     76.697   69.685     100.326  22.434  9.0789  22.825  9.8710  -0.3908195     13.41134 
1 1 1 -9  -53 31 o 19.323  7.9429  43.293     59.824   44.984     78.018   40.879     93.200   20.471  8.7772  21.003  9.2862  -0.5321751     12.77788 
1 1 1 -9  -53 32 o 27.481  8.8840  126.639    67.534   53.966     83.684   262.361    114.362  21.315  9.1136  36.035  11.552  -14.71950      14.71380 
1 1 1 -9  -53 33 o 25.405  9.4919  109.830    78.692   109.830    78.692   0.0000     0.0000   25.405  9.4919  ?       ?       0.000000       9.491870 
1 1 1 -9  -53 34 o 18.607  8.1051  25.227     68.625   25.425     72.892   23.686     203.554  18.932  8.2970  24.115  11.629  -5.182587      14.28535 
1 1 1 -9  -53 35 o 14.702  6.6742  -9.4983    51.720   -81.8583   75.795   53.553     70.752   14.381  6.9747  20.714  8.5881  -6.332859      11.06352 
1 1 1 -9  -53 36 o 22.648  8.1637  78.982     57.366   204.674    94.144   4.7515     72.349   33.132  10.466  17.691  7.9753  15.44096       13.15847 
1 1 1 -9  -53 37 o 31.191  8.1519  154.755    62.383   132.102    98.067   170.152    80.850   26.812  10.452  31.042  9.6831  -4.230988      14.24798 
1 1 1 -9  -53 38 o 21.908  8.0176  72.099     55.634   45.608     91.251   87.771     70.188   21.178  9.2822  23.524  8.9261  -2.345877      12.87770 
1 1 1 -9  -53 39 o 15.739  6.9368  6.1834     51.602   18.648     90.526   0.1838     62.805   19.748  8.9100  16.548  7.4481  3.199537       11.61303 
1 1 1 -9  -53 40 o 36.256  7.4912  199.070    63.722   123.641    104.061  244.322    80.601   26.163  10.580  38.853  8.7591  -12.69032      13.73501 
1 1 1 -9  -53 41 f 20.512  7.8928  58.501     55.363   55.094     93.987   60.311     68.510   21.842  9.5000  21.162  8.5749  0.6797104      12.79762 
1 1 1 -9  -53 42 o 15.261  7.0414  -19.1109   60.760   111.821    170.011  -38.2828   65.056   25.922  11.893  14.832  6.9873  11.08982       13.79392 
1 1 1 -9  -53 43 o 25.086  9.4534  105.357    78.382   0.0000     0.0000   105.357    78.382   ?       ?       25.086  9.4534  0.000000       9.453382 
1 1 1 -9  -53 44 o 17.617  7.8360  10.291     67.331   0.0000     0.0000   10.291     67.331   ?       ?       17.617  7.8360  0.000000       7.835968 
1 1 1 -9  -53 45 o 33.772  9.5581  196.245    81.853   352.669    178.617  154.663    92.092   36.126  14.099  28.954  10.354  7.171711       17.49261 
1 1 1 -9  -53 46 o 15.983  6.4365  25.356     38.343   1.6893     85.035   31.396     42.957   18.622  8.4937  17.060  6.8329  1.561874       10.90102 
1 1 1 -9  -53 47 o 14.864  6.3577  11.259     40.753   -44.1100   89.477   25.752     45.777   17.069  8.0870  16.753  6.9237  0.3161221      10.64599 
1 1 1 -9  -53 48 o 17.586  6.8309  37.303     41.771   -2.8459    87.947   48.998     47.466   18.596  8.5403  19.217  7.3288  -0.6210251     11.25375 
1 1 1 -9  -53 49 o 18.451  7.0373  44.044     43.769   -1.7095    92.996   57.063     49.607   18.967  8.7370  20.154  7.5350  -1.187262      11.53743 
1 1 1 -9  -53 50 o 21.820  8.4241  70.697     63.232   53.067     137.646  75.412     71.188   23.126  10.644  22.388  8.8512  0.7385502      13.84355 
1 1 1 -9  -53 51 o 24.869  8.8093  103.101    66.520   158.826    143.321  87.800     75.099   27.312  11.805  23.365  9.1359  3.947262       14.92722 
1 1 1 -9  -53 52 o 39.657  8.2480  250.912    76.779   160.207    159.415  278.308    87.610   26.918  12.009  40.738  9.0936  -13.82059      15.06345 
1 1 1 -9  -53 53 o 11.715  5.7359  -79.9495   54.802   -15.4560   132.929  -93.1556   60.152   20.284  9.6803  12.005  5.9045  8.278996       11.33897 
1 1 1 -9  -52 6  o 24.833  10.305  115.200    102.001  111.210    110.998  136.862    258.632  24.561  10.499  25.641  12.534  -1.080093      16.35020 
1 1 1 -9  -52 7  o 17.066  8.0173  -26.4088   84.584   -26.3530   90.004   -26.8308   247.490  17.501  8.2370  23.484  11.628  -5.982513      14.25019 
1 1 1 -9  -52 8  o 24.650  10.144  104.369    97.723   7.7637     112.708  396.941    196.142  20.368  9.4646  35.822  14.511  -15.45372      17.32491 
1 1 1 -9  -52 9  o 43.076  10.782  340.728    112.433  396.233    132.365  196.927    213.054  44.498  11.989  28.226  13.080  16.27190       17.74355 
1 1 1 -9  -52 10 o 16.688  7.8629  -36.8791   82.444   -2.5111    94.634   -145.1030  167.931  19.078  8.7973  19.637  9.6972  -0.5590420     13.09311 
1 1 1 -9  -52 11 o 20.153  8.8499  33.245     83.295   92.812     93.391   -198.4468  184.186  24.224  9.9368  19.628  9.7714  4.595816       13.93634 
1 1 1 -9  -52 12 o 19.172  8.6962  8.5836     87.565   20.752     101.648  -26.4308   172.430  20.626  9.3610  22.365  10.765  -1.738567      14.26571 
1 1 1 -9  -52 13 o 24.339  9.8769  93.821     91.040   91.561     102.799  102.037    196.025  24.365  10.245  26.171  12.266  -1.805170      15.98135 
1 1 1 -9  -52 14 o 22.417  9.6466  62.058     94.858   60.680     107.304  66.987     202.921  22.793  10.026  25.380  12.070  -2.586630      15.69056 
1 1 1 -9  -52 15 o 23.490  9.4780  83.839     83.320   50.557     90.768   262.043    210.033  21.573  9.3593  30.836  13.769  -9.263098      16.64845 
1 1 1 -9  -52 16 o 19.337  8.4508  27.807     75.153   26.741     80.956   34.453     202.130  19.665  8.6767  24.579  11.785  -4.913925      14.63496 
1 1 1 -9  -52 17 o 15.394  7.1398  -23.8409   63.679   4.6010     67.283   -268.1644  197.201  17.308  7.7560  19.308  9.6859  -1.999399      12.40856 
1 1 1 -9  -52 18 o 25.280  9.7408  107.179    84.415   91.161     92.082   191.530    211.305  24.136  9.8799  28.604  13.174  -4.468714      16.46713 
1 1 1 -9  -52 19 o 33.065  10.471  201.274    94.189   145.745    104.292  446.943    219.365  27.876  10.803  37.529  15.293  -9.652655      18.72365 
1 1 1 -9  -52 20 o 38.422  10.513  265.947    100.860  255.647    113.113  305.908    222.802  35.996  11.483  31.976  14.236  4.020105       18.29032 
1 1 1 -9  -52 21 o 22.367  9.3113  67.373     83.661   25.619     91.210   288.743    210.016  20.282  9.0636  31.857  14.019  -11.57487      16.69409 
1 1 1 -9  -52 22 o 19.268  8.4262  26.401     74.826   -11.0763   84.241   166.519    162.887  18.034  8.3103  28.245  12.390  -10.21051      14.91886 
1 1 1 -9  -52 23 o 16.670  7.6266  -11.1957   69.224   -14.3336   78.326   0.0003     147.951  17.384  8.0117  22.194  10.480  -4.809967      13.19183 
1 1 1 -9  -52 24 o 14.971  7.0612  -41.5093   66.788   -35.1549   75.128   -65.4574   145.848  16.157  7.5792  20.373  9.8290  -4.215370      12.41179 
1 1 1 -9  -52 25 o 18.587  7.6685  35.666     56.018   -31.8279   85.462   86.508     74.173   17.297  8.1044  23.685  9.1296  -6.388018      12.20780 
1 1 1 -9  -52 26 o 19.196  8.1965  32.377     67.527   54.911     76.680   -45.4662   142.520  21.320  8.8982  20.756  9.9374  0.5642605      13.33909 
1 1 1 -9  -52 27 o 29.926  7.8962  138.589    58.169   158.246    86.970   122.678    78.246   29.857  10.098  26.935  9.5529  2.921789       13.90027 
1 1 1 -9  -52 28 o 29.617  8.4706  140.188    63.938   105.715    87.604   179.483    93.531   25.371  9.8820  31.398  10.472  -6.026289      14.39837 
1 1 1 -9  -52 29 o 27.252  8.6257  119.660    63.922   148.187    82.564   76.977     100.993  29.199  9.8386  23.668  10.063  5.530890       14.07333 
1 1 1 -9  -52 30 o 47.406  6.6331  319.947    74.208   225.957    99.174   439.520    111.860  35.211  10.679  52.504  9.1108  -17.29301      14.03698 
1 1 1 -9  -52 31 o 45.328  9.4050  334.794    100.050  334.794    100.050  0.0000     0.0000   45.328  9.4050  ?       ?       0.000000       9.405028 
1 1 1 -9  -52 32 o 28.380  10.052  141.208    86.603   141.208    86.603   0.0000     0.0000   28.380  10.052  ?       ?       0.000000       10.05167 
1 1 1 -9  -52 33 o 28.598  9.2703  136.908    73.497   159.483    79.706   8.6946     189.953  30.513  9.6292  24.049  11.503  6.464201       15.00158 
1 1 1 -9  -52 34 o 23.819  8.0438  87.020     55.190   132.766    83.776   51.944     73.358   27.719  9.8789  20.989  8.7268  6.730818       13.18147 
1 1 1 -9  -52 35 o 23.765  7.7806  86.014     51.721   131.517    84.583   58.838     65.366   27.568  9.9156  21.144  8.4429  6.423830       13.02309 
1 1 1 -9  -52 36 o 18.559  7.2597  41.597     47.436   63.973     80.140   29.529     58.853   22.135  9.1555  18.341  7.7337  3.794210       11.98470 
1 1 1 -9  -52 37 o 17.066  7.0322  26.851     47.035   -2.8104    86.338   39.369     56.089   18.655  8.5284  18.934  7.7262  -0.2790623     11.50774 
1 1 1 -9  -52 38 o 12.472  5.9419  -46.6896   49.641   -1.0660    83.315   -71.8016   61.811   18.491  8.4237  13.150  6.3578  5.340742       10.55374 
1 1 1 -9  -52 39 o 15.067  6.7442  -3.4966    50.728   -28.1654   89.205   8.2933     61.670   17.780  8.3144  17.072  7.5508  0.7081623      11.23138 
1 1 1 -9  -52 40 o 17.537  7.4223  24.354     54.533   33.821     95.662   19.797     66.373   21.039  9.3500  18.246  7.9588  2.793587       12.27861 
1 1 1 -9  -52 41 o 39.286  7.8680  234.639    72.386   158.365    130.932  268.215    86.869   28.358  11.714  40.770  9.0203  -12.41162      14.78451 
1 1 1 -9  -52 42 o 21.042  8.6783  54.562     71.709   0.0000     0.0000   54.562     71.709   ?       ?       21.042  8.6783  0.000000       8.678292 
1 1 1 -9  -52 43 f 23.728  9.2159  86.685     76.028   0.0000     0.0000   86.685     76.028   ?       ?       23.728  9.2159  0.000000       9.215880 
1 1 1 -9  -52 44 o 32.250  9.3675  175.262    77.649   242.115    167.734  157.027    87.600   31.701  13.190  29.669  10.134  2.032022       16.63305 
1 1 1 -9  -52 45 o 13.823  6.4350  -28.1084   52.491   -193.4918  115.740  14.717     58.896   15.571  7.7509  17.235  7.5081  -1.664114      10.79111 
1 1 1 -9  -52 46 o 11.459  5.5823  -72.2763   50.050   -82.9387   113.700  -69.7137   55.741   17.949  8.6644  12.402  6.0067  5.546881       10.54287 
1 1 1 -9  -52 47 o 14.142  6.1698  3.4183     39.908   -94.7634   90.910   26.855     44.416   15.688  7.6152  16.833  6.8728  -1.144985      10.25803 
1 1 1 -9  -52 48 o 11.857  5.4811  -20.7634   37.080   -135.3855  85.317   5.9299     41.172   14.026  6.9237  14.535  6.3047  -0.5087032     9.364096 
1 1 1 -9  -52 49 o 16.762  6.8736  25.913     44.667   100.230    91.498   2.6605     51.181   24.994  9.9859  15.567  6.8823  9.427127       12.12784 
1 1 1 -9  -52 50 f 20.022  7.1908  55.903     44.468   116.363    93.515   38.238     50.549   26.128  10.201  18.432  7.4017  7.696327       12.60314 
1 1 1 -9  -52 51 o 17.478  7.6380  15.243     61.381   112.375    136.941  -9.1785    68.665   25.985  11.380  16.729  7.6314  9.255342       13.70224 
1 1 1 -9  -52 52 o 83.899  6.1121  980.968    123.571  960.465    224.215  989.913    148.092  66.504  14.318  81.564  7.5692  -15.06001      16.19598 
1 1 1 -9  -52 53 o 15.130  6.9695  -18.0109   59.178   -89.9883   140.008  -2.3550    65.297   19.253  9.3701  16.660  7.5375  2.593189       12.02550 
1 1 1 -9  -52 54 o 17.157  7.5897  11.885     62.336   -38.6225   146.430  23.064     68.890   20.663  9.9395  18.412  8.0676  2.251068       12.80151 
1 1 1 -9  -52 55 o 32.551  8.8191  178.561    71.385   253.917    158.716  159.452    79.925   31.068  12.870  29.615  9.6709  1.453796       16.09881 
1 1 1 -9  -51 4  o 24.573  9.2208  102.478    74.420   210.668    104.525  -8.7508    105.982  32.223  11.068  19.334  9.0478  12.88906       14.29545 
1 1 1 -9  -51 5  o 23.654  8.9939  89.722     71.350   112.702    97.382   63.088     104.838  25.388  10.246  22.582  9.9222  2.805758       14.26267 
1 1 1 -9  -51 6  o 22.967  8.9424  80.185     71.720   130.516    104.486  35.344     98.623   26.749  10.677  21.108  9.4293  5.641157       14.24429 
1 1 1 -9  -51 7  o 23.838  8.6753  88.948     65.005   54.499     98.124   115.891    86.780   22.187  9.6774  26.063  9.9166  -3.876245      13.85611 
1 1 1 -9  -51 8  o 30.378  8.7351  149.750    67.826   134.688    103.050  161.261    90.091   27.363  10.701  29.950  10.276  -2.586750      14.83612 
1 1 1 -9  -51 9  o 20.551  8.1945  53.754     61.499   116.209    95.223   9.0615     80.552   26.192  10.274  18.827  8.4580  7.364595       13.30803 
1 1 1 -9  -51 10 o 17.073  7.4571  12.357     58.444   162.737    94.505   -80.7692   74.370   29.965  10.511  14.407  6.9678  15.55806       12.61053 
1 1 1 -9  -51 11 o 24.122  8.4295  90.106     60.757   55.587     92.418   116.381    80.629   22.170  9.5308  26.395  9.6532  -4.224628      13.56542 
1 1 1 -9  -51 12 o 27.549  8.6901  122.515    64.922   180.022    102.181  83.585     84.072   30.962  10.924  23.712  9.5373  7.249992       14.50114 
1 1 1 -9  -51 13 o 25.601  8.2750  102.968    58.594   58.737     86.363   140.695    79.761   22.073  9.3412  28.656  9.6701  -6.583075      13.44501 
1 1 1 -9  -51 14 o 27.763  8.1070  120.685    58.020   157.501    81.568   82.981     82.546   30.198  9.7637  23.626  9.4688  6.571184       13.60098 
1 1 1 -9  -51 15 o 19.875  7.8177  49.873     55.269   14.376     77.524   86.564     78.816   18.877  8.4016  23.842  9.3491  -4.965076      12.56954 
1 1 1 -9  -51 16 o 23.218  8.3283  81.651     59.632   86.851     80.106   75.189     89.307   23.905  9.4089  23.273  9.6489  0.6314297      13.47695 
1 1 1 -9  -51 17 o 33.764  8.1573  176.637    66.080   148.058    94.219   204.304    92.703   28.755  10.447  33.918  10.333  -5.163582      14.69398 
1 1 1 -9  -51 18 o 26.589  8.1185  110.201    57.181   169.738    77.778   40.166     84.356   31.843  9.4115  20.890  9.0428  10.95316       13.05181 
1 1 1 -9  -51 19 o 36.080  7.5773  194.330    64.225   257.260    89.745   128.271    91.950   39.594  9.4693  27.292  10.248  12.30198       13.95297 
1 1 1 -9  -51 20 o 45.330  8.5254  317.056    90.329   314.774    99.028   328.362    220.403  43.922  9.5632  34.040  14.676  9.882790       17.51689 
1 1 1 -9  -51 21 o 22.618  9.1284  69.216     77.306   83.637     83.889   -11.9978   199.079  23.896  9.5565  24.190  11.625  -0.2944374     15.04860 
1 1 1 -9  -51 22 o 19.082  8.3150  22.377     72.280   -29.8761   82.651   192.283    149.038  17.304  8.0620  30.508  12.538  -13.20389      14.90642 
1 1 1 -9  -51 23 o 15.327  7.1563  -34.0881   65.676   -24.4455   74.113   -69.3551   141.736  16.721  7.7367  20.438  9.8181  -3.716425      12.50008 
1 1 1 -9  -51 24 o 13.721  6.5462  -56.2821   60.705   -68.8849   67.158   0.0000     141.922  14.057  6.7543  22.487  10.506  -8.430329      12.49008 
1 1 1 -9  -51 25 o 32.409  9.4888  173.201    79.390   168.483    92.652   186.233    153.997  31.034  10.422  30.361  12.636  0.6733150      16.37949 
1 1 1 -9  -51 26 o 31.168  9.9057  164.132    84.233   140.939    98.282   228.311    163.490  28.535  10.618  32.348  13.194  -3.812462      16.93627 
1 1 1 -9  -51 27 o 14.251  6.8088  -61.3546   66.156   -54.0978   74.582   -88.1369   143.279  15.547  7.3712  20.180  9.7376  -4.632802      12.21295 
1 1 1 -9  -51 28 o 22.000  9.0512  58.065     77.770   28.774     89.781   146.090    155.642  20.858  9.1729  28.609  12.334  -7.751762      15.37094 
1 1 1 -9  -51 29 o 32.187  8.7782  163.276    70.451   133.648    100.672  191.712    98.625   28.021  10.676  32.897  10.743  -4.876261      15.14567 
1 1 1 -9  -51 30 f 23.560  9.3370  77.613     79.392   77.613     79.392   0.0000     0.0000   23.560  9.3370  ?       ?       0.000000       9.337023 
1 1 1 -9  -51 31 o 35.560  10.011  212.162    90.033   212.162    90.033   0.0000     0.0000   35.560  10.011  ?       ?       0.000000       10.01056 
1 1 1 -9  -51 32 o 19.054  7.6817  38.987     54.678   57.740     72.519   14.281     83.238   21.729  8.8161  19.612  8.7184  2.116976       12.39892 
1 1 1 -9  -51 33 o 12.361  5.7758  -30.1972   42.914   52.129     73.607   -72.5910   52.821   21.351  8.7973  11.962  5.8063  9.388169       10.54072 
1 1 1 -9  -51 34 o 39.880  6.2232  220.684    58.252   363.792    93.525   129.978    74.458   49.434  8.0760  28.292  9.3389  21.14253       12.34655 
1 1 1 -9  -51 35 o 20.961  8.5324  51.352     68.194   54.611     85.036   45.480     114.151  22.096  9.3056  23.006  10.219  -0.9104385     13.82135 
1 1 1 -9  -51 36 o 19.420  7.3821  47.556     48.061   12.328     84.016   64.691     58.595   19.516  8.7118  21.684  8.1731  -2.167524      11.94546 
1 1 1 -9  -51 37 o 12.718  5.9155  -27.4093   44.202   14.049     81.806   -44.5037   52.530   19.415  8.6363  13.102  6.2045  6.312206       10.63394 
1 1 1 -9  -51 38 o 22.643  7.5936  75.077     49.181   14.087     84.798   105.992    60.373   19.627  8.7573  26.126  8.3950  -6.498566      12.13117 
1 1 1 -9  -51 39 o 18.173  7.2544  35.840     48.246   -57.0142   90.114   73.152     57.123   16.976  8.0643  22.464  8.1389  -5.487940      11.45751 
1 1 1 -9  -51 40 o 30.431  9.8310  157.427    82.709   0.0000     0.0000   157.427    82.709   ?       ?       30.431  9.8310  0.000000       9.830960 
1 1 1 -9  -51 41 o 33.433  9.2357  182.653    77.403   0.0000     0.0000   182.653    77.403   ?       ?       33.433  9.2357  0.000000       9.235689 
1 1 1 -9  -51 42 o 16.392  6.7355  23.104     42.997   0.0000     0.0000   23.104     42.997   ?       ?       16.392  6.7355  0.000000       6.735465 
1 1 1 -9  -51 43 o 16.882  6.5937  31.449     39.086   -8.4655    86.749   41.616     43.782   18.581  8.5144  18.411  7.0344  0.1704369      11.04438 
1 1 1 -9  -51 44 o 20.427  7.0789  58.611     42.805   98.045     88.502   46.569     48.906   25.023  9.8767  19.267  7.4170  5.755739       12.35161 
1 1 1 -9  -51 45 o 30.642  9.1337  153.945    73.017   251.870    138.855  116.517    85.844   34.321  12.650  26.478  9.9096  7.843145       16.06960 
1 1 1 -9  -51 46 o 25.441  8.8796  102.472    67.409   55.670     132.692  118.752    78.260   23.912  10.788  26.810  9.5489  -2.898104      14.40733 
1 1 1 -9  -51 47 o 20.110  8.1933  46.333     62.955   76.930     126.235  36.204     72.633   24.639  10.855  19.982  8.5156  4.657166       13.79663 
1 1 1 -9  -51 48 o 21.548  8.4843  61.730     65.157   192.919    129.355  17.129     75.423   31.028  12.029  18.995  8.3785  12.03238       14.65960 
1 1 1 -9  -51 49 f 18.422  7.0006  41.836     43.214   58.313     93.369   37.345     48.750   22.573  9.6383  18.345  7.3019  4.228191       12.09186 
1 1 1 -9  -51 50 o 28.055  7.1016  115.918    48.386   79.933     98.631   127.323    55.527   24.074  10.074  28.967  7.7488  -4.892572      12.70910 
1 1 1 -9  -51 51 o 22.322  7.4567  72.884     47.422   77.858     99.252   71.413     53.983   23.943  10.067  22.187  7.9276  1.756008       12.81361 
1 1 1 -9  -51 52 o 19.906  8.2484  42.176     65.216   310.542    144.740  -26.1851   73.052   37.901  13.024  16.473  7.6427  21.42815       15.10061 
1 1 1 -9  -51 53 o 16.345  7.3721  -5.0505    61.910   92.411     143.557  -27.3182   68.619   25.560  11.400  15.906  7.3891  9.653751       13.58536 
1 1 1 -9  -51 54 o 26.717  9.0011  117.073    69.106   60.860     157.550  130.465    76.898   24.546  11.330  27.747  9.4943  -3.201860      14.78201 
1 1 1 -9  -51 55 o 19.979  8.0817  49.039     60.743   -65.1905   144.293  73.642     66.966   20.224  9.7619  22.367  8.6598  -2.143301      13.04943 
1 1 1 -9  -51 56 o 37.520  8.4318  224.409    74.893   328.775    165.631  197.587    83.967   35.521  13.656  33.511  9.7433  2.009434       16.77536 
1 1 1 -9  -50 2  o 24.512  8.8481  97.838     67.421   9.9696     97.134   179.527    93.656   19.769  9.0406  30.911  10.478  -11.14239      13.83941 
1 1 1 -9  -50 3  o 37.582  8.8386  227.796    79.246   181.248    110.769  276.599    113.420  30.331  11.275  37.876  11.405  -7.544231      16.03764 
1 1 1 -9  -50 4  o 39.209  8.6922  243.037    80.524   261.347    111.298  222.924    116.647  37.128  11.324  33.439  11.680  3.689194       16.26850 
1 1 1 -9  -50 5  o 26.873  9.0488  117.379    69.840   78.393     99.120   155.817    98.422   23.866  10.049  29.342  10.675  -5.476532      14.66069 
1 1 1 -9  -50 6  o 32.041  8.6348  162.697    68.648   206.982    105.104  129.749    90.657   33.370  11.099  27.548  10.208  5.821699       15.08016 
1 1 1 -9  -50 7  o 16.156  7.2656  -5.0276    59.617   26.532     89.964   -29.7388   79.607   20.602  9.1156  17.020  7.9240  3.581814       12.07821 
1 1 1 -9  -50 8  o 51.720  6.4259  373.759    78.904   426.297    116.233  328.854    107.457  51.339  9.6860  44.224  10.219  7.114922       14.08022 
1 1 1 -9  -50 9  o 46.347  6.7375  304.732    73.549   302.529    110.977  306.457    98.217   41.317  10.909  43.398  9.5833  -2.081532      14.52047 
1 1 1 -9  -50 10 o 33.455  8.0770  171.382    64.821   102.924    97.020   226.580    87.119   25.527  10.253  36.990  9.6170  -11.46353      14.05743 
1 1 1 -9  -50 11 o 13.234  6.2962  -49.7460   55.327   -35.8404   86.218   -59.4814   72.140   17.382  8.1428  14.984  7.1453  2.398327       10.83331 
1 1 1 -9  -50 12 o 30.491  7.8558  141.546    58.479   138.770    82.870   144.300    82.536   28.602  9.8531  29.141  9.8368  -0.5389118     13.92291 
1 1 1 -9  -50 13 o 16.027  7.0330  5.4709     52.524   -71.6442   72.193   92.200     76.561   14.546  6.9927  24.519  9.3180  -9.973182      11.65003 
1 1 1 -9  -50 14 f 15.300  6.9066  -9.0787    54.475   -45.2047   74.637   32.103     79.689   15.860  7.4755  20.263  8.7804  -4.403383      11.53161 
1 1 1 -9  -50 15 o 37.293  7.5101  204.881    65.606   324.498    92.077   81.530     93.503   46.023  8.5604  24.126  9.9250  21.89784       13.10671 
1 1 1 -9  -50 16 f 21.165  8.0027  60.350     56.291   65.730     76.974   54.166     82.530   22.490  9.0975  21.920  9.1961  0.5695286      12.93576 
1 1 1 -9  -50 17 o 34.750  7.8457  180.685    64.586   233.440    87.307   116.921    95.986   37.958  9.5015  26.778  10.368  11.18006       14.06298 
1 1 1 -9  -50 18 f 34.325  8.0497  177.706    65.881   213.492    91.123   138.514    95.361   35.645  10.084  28.546  10.489  7.098186       14.55022 
1 1 1 -9  -50 19 o 28.083  8.4125  121.589    61.828   120.282    82.786   123.238    92.974   27.284  9.8101  27.431  10.304  -0.1463852     14.22695 
1 1 1 -9  -50 20 o 18.904  8.4492  5.1839     79.299   -98.5968   193.772  26.061     86.910   22.812  11.084  20.661  9.0572  2.150627       14.31360 
1 1 1 -9  -50 21 o 21.314  9.1884  37.153     86.369   0.0000     0.0000   37.153     86.369   ?       ?       21.314  9.1884  0.000000       9.188375 
1 1 1 -9  -50 22 o 17.055  7.2977  14.858     53.734   -62.7178   79.990   78.654     72.539   15.952  7.5835  23.688  9.0537  -7.736409      11.81011 
1 1 1 -9  -50 23 o 34.597  7.2492  172.068    58.906   224.843    87.907   129.057    79.359   37.514  9.6135  28.422  9.6454  9.092541       13.61817 
1 1 1 -9  -50 24 o 24.955  8.0800  91.955     55.847   123.314    80.978   63.512     77.121   27.885  9.7324  22.694  9.1321  5.191135       13.34592 
1 1 1 -9  -50 25 f 54.372  7.1652  416.097    92.226   366.150    106.700  563.652    183.393  48.708  9.3684  53.580  13.965  -4.872032      16.81591 
1 1 1 -9  -50 26 o 24.882  9.4024  89.390     77.673   81.948     89.935   111.236    154.093  24.635  9.8797  27.921  12.154  -3.286560      15.66309 
1 1 1 -9  -50 27 o 29.834  9.6921  142.273    80.315   144.696    95.581   136.452    148.144  29.620  10.552  29.042  12.259  0.5778542      16.17548 
1 1 1 -9  -50 28 o 20.139  8.6865  25.795     77.278   25.795     77.278   0.0000     0.0000   20.139  8.6865  ?       ?       0.000000       8.686545 
1 1 1 -9  -50 29 o 25.570  10.081  93.239     92.106   93.239     92.106   0.0000     0.0000   25.570  10.081  ?       ?       0.000000       10.08120 
1 1 1 -9  -50 30 f 25.462  10.076  91.619     92.340   91.619     92.340   0.0000     0.0000   25.462  10.076  ?       ?       0.000000       10.07635 
1 1 1 -9  -50 31 o 19.337  8.2705  24.134     68.959   56.548     75.143   -148.8480  173.590  22.145  8.9779  21.164  10.329  0.9812889      13.68545 
1 1 1 -9  -50 32 f 31.959  7.5449  148.477    57.569   191.979    101.431  127.803    69.923   33.521  10.892  28.744  9.0113  4.776224       14.13650 
1 1 1 -9  -50 33 o 30.369  7.1461  132.302    51.779   175.640    80.179   101.298    67.817   33.276  9.4747  25.949  8.9149  7.327110       13.00943 
1 1 1 -9  -50 34 o 46.197  5.4897  284.287    60.332   268.953    96.077   294.271    77.522   41.166  9.7661  45.591  7.2506  -4.425045      12.16339 
1 1 1 -9  -50 35 o 29.368  7.4426  125.648    53.102   168.753    89.462   102.201    65.982   31.940  10.215  26.019  8.7952  5.920794       13.47933 
1 1 1 -9  -50 36 o 16.988  6.9986  22.964     46.574   -2.8490    80.282   36.058     57.179   18.692  8.4163  19.182  7.8111  -0.4899025     11.48248 
1 1 1 -9  -50 37 o 13.918  6.2299  -8.4548    43.284   -93.9443   82.932   23.552     50.744   15.223  7.3611  17.473  7.2611  -2.250548      10.33971 
1 1 1 -9  -50 38 o 23.665  7.6303  81.304     49.843   53.256     87.000   95.009     60.813   22.411  9.4239  25.192  8.4440  -2.781742      12.65349 
1 1 1 -9  -50 39 o 16.646  7.3515  2.2897     58.246   0.0000     0.0000   2.2897     58.246   ?       ?       16.646  7.3515  0.000000       7.351478 
1 1 1 -9  -50 40 o 27.130  8.8730  114.538    67.272   0.0000     0.0000   114.538    67.272   ?       ?       27.130  8.8730  0.000000       8.873042 
1 1 1 -9  -50 41 o 31.765  8.7198  157.396    69.251   0.0000     0.0000   157.396    69.251   ?       ?       31.765  8.7198  0.000000       8.719790 
1 1 1 -9  -50 42 o 33.191  8.0706  166.343    64.368   170.806    97.360   162.877    85.792   31.266  10.683  31.148  10.007  0.1182270      14.63815 
1 1 1 -9  -50 43 o 21.604  7.9368  64.471     54.592   31.869     84.843   87.507     71.317   20.756  9.0269  24.260  9.0416  -3.503435      12.77632 
1 1 1 -9  -50 44 f 30.249  6.5406  129.975    46.608   47.276     90.919   159.454    54.282   21.998  9.4549  33.300  6.9432  -11.30133      11.73042 
1 1 1 -9  -50 45 o 25.222  6.8691  92.329     43.175   -8.8228    90.382   122.235    49.144   19.026  8.7083  28.958  7.0585  -9.931068      11.20967 
1 1 1 -9  -50 46 o 16.035  6.5117  22.618     39.602   29.125     82.545   20.673     45.135   20.374  8.8817  16.469  6.8463  3.905327       11.21413 
1 1 1 -9  -50 47 o 26.739  8.9477  113.160    68.283   86.735     130.960  123.026    80.021   25.522  11.155  27.415  9.6673  -1.893429      14.76090 
1 1 1 -9  -50 48 o 10.856  5.3391  -87.2860   49.190   -73.2872   110.375  -90.7554   54.948   18.276  8.7487  11.625  5.7025  6.650390       10.44312 
1 1 1 -9  -50 49 o 26.112  8.9694  107.056    68.647   111.567    132.270  105.393    80.310   26.777  11.453  25.847  9.6023  0.9296436      14.94611 
1 1 1 -9  -50 50 o 26.166  7.2430  100.814    47.551   69.386     100.450  109.891    53.982   23.727  10.060  26.994  7.8018  -3.267025      12.73047 
1 1 1 -9  -50 51 f 49.982  5.3275  333.690    63.615   487.412    120.255  273.956    74.963   55.996  9.1682  43.529  7.3599  12.46712       11.75690 
1 1 1 -9  -50 52 o 29.291  7.0151  124.584    49.199   132.359    101.076  122.170    56.322   27.945  10.686  28.417  7.8889  -0.4717960     13.28220 
1 1 1 -9  -50 53 o 33.475  6.7298  159.805    52.767   211.122    106.214  142.989    60.801   34.030  11.150  30.618  8.0700  3.411781       13.76419 
1 1 1 -9  -50 54 o 13.243  6.2806  -46.7921   54.217   -155.8812  133.255  -25.1504   59.352   17.910  8.8047  15.019  6.9402  2.891128       11.21108 
1 1 1 -9  -50 55 o 36.597  8.5072  208.324    74.109   240.701    161.195  199.647    83.451   32.692  13.186  34.639  9.5978  -1.947136      16.30903 
1 1 1 -9  -50 56 o 43.946  7.7972  289.038    80.097   188.374    171.903  316.953    90.524   29.603  12.862  45.191  8.5691  -15.58780      15.45495 
1 1 1 -9  -50 57 o 21.800  8.4917  67.271     64.692   68.398     156.382  67.038     71.057   24.650  11.346  21.979  8.7935  2.670490       14.35429 
1 1 1 -9  -49 1  o 20.628  8.3597  51.871     65.122   61.417     91.776   42.191     92.419   22.546  9.5894  21.462  9.3757  1.083990       13.41123 
1 1 1 -9  -49 2  o 43.255  7.7243  277.348    78.094   237.856    113.393  312.982    107.711  35.393  11.517  42.720  10.472  -7.327557      15.56633 
1 1 1 -9  -49 3  o 26.207  9.1788  109.203    72.059   122.846    107.205  97.960     97.323   27.103  10.815  25.350  10.238  1.752592       14.89289 
1 1 1 -9  -49 4  o 36.698  7.7751  200.150    67.080   266.345    107.985  158.555    85.599   38.798  10.978  30.606  10.009  8.192221       14.85551 
1 1 1 -9  -49 5  o 26.067  9.4943  107.254    77.882   0.0000     0.0000   107.254    77.882   ?       ?       26.067  9.4943  0.000000       9.494313 
1 1 1 -9  -49 6  o 28.670  9.6398  135.156    79.260   -74.9170   269.123  155.107    82.938   25.478  12.522  30.455  9.8451  -4.977455      15.92909 
1 1 1 -9  -49 7  o 25.346  9.5906  99.361     80.882   279.017    291.209  84.344     84.194   32.073  15.006  24.197  9.6071  7.875874       17.81762 
1 1 1 -9  -49 8  o 30.881  9.9033  160.475    84.048   356.717    296.895  143.378    87.633   33.752  15.570  29.098  10.126  4.653877       18.57343 
1 1 1 -9  -49 9  o 30.840  9.8987  159.960    83.956   477.386    328.764  137.816    86.835   35.791  16.465  28.626  10.073  7.165487       19.30177 
1 1 1 -9  -49 10 o 17.346  7.8437  -6.6820    70.609   0.0000     0.0000   -6.6820    70.609   ?       ?       17.346  7.8437  0.000000       7.843731 
1 1 1 -9  -49 11 o 30.326  9.5096  150.669    77.864   48.911     228.829  163.995    82.806   26.817  12.771  31.377  9.8014  -4.559769      16.09881 
1 1 1 -9  -49 12 o 18.053  8.0181  5.6646     70.246   0.0000     0.0000   5.6646     70.246   ?       ?       18.053  8.0181  0.000000       8.018093 
1 1 1 -9  -49 13 o 44.062  6.3884  268.963    66.308   314.198    93.938   224.042    93.611   45.241  8.8744  36.603  10.174  8.638378       13.50021 
1 1 1 -9  -49 14 o 23.031  7.9825  76.381     54.431   8.3096     81.268   131.762    73.302   19.275  8.5886  28.781  9.2505  -9.505747      12.62287 
1 1 1 -9  -49 15 o 36.620  7.1132  191.389    60.927   169.710    88.545   210.883    83.965   31.926  10.157  36.429  9.4268  -4.503923      13.85751 
1 1 1 -9  -49 16 o 18.116  7.4679  28.066     53.068   104.248    80.121   -31.4779   70.833   26.157  9.6142  16.276  7.5422  9.881548       12.21953 
1 1 1 -9  -49 17 o 21.945  7.9718  65.328     54.853   90.762     74.336   34.924     81.274   24.960  9.2451  21.009  8.9819  3.951365       12.88978 
1 1 1 -9  -49 18 o 35.425  7.7566  182.619    64.824   147.448    87.687   225.004    96.262   30.161  10.139  37.046  10.324  -6.885338      14.47017 
1 1 1 -9  -49 19 o 19.467  7.8109  38.884     56.242   -14.2895   74.121   111.048    86.348   17.600  7.9899  27.011  9.9722  -9.411028      12.77825 
1 1 1 -9  -49 20 o 27.283  8.5110  111.170    62.460   106.656    85.174   116.421    91.871   26.698  9.8947  27.561  10.264  -0.8633270     14.25678 
1 1 1 -9  -49 21 o 61.378  5.3585  494.746    79.003   503.857    111.569  485.583    111.886  59.396  7.9402  58.056  8.1686  1.340271       11.39179 
1 1 1 -9  -49 22 o 35.147  7.2553  174.735    59.822   224.536    86.985   130.041    82.404   38.163  9.4448  28.931  9.8287  9.232338       13.63111 
1 1 1 -9  -49 23 o 38.196  6.8414  202.247    61.078   254.248    88.666   155.290    84.256   41.038  9.1390  31.381  9.9000  9.656973       13.47333 
1 1 1 -9  -49 24 o 39.849  6.6684  218.229    62.199   280.068    90.431   162.709    85.686   43.415  8.8837  32.101  9.9611  11.31402       13.34706 
1 1 1 -9  -49 25 o 22.559  8.1676  67.812     57.512   96.062     77.728   33.633     85.495   25.884  9.4762  21.554  9.2135  4.330252       13.21689 
1 1 1 -9  -49 26 o 54.234  5.5431  387.251    71.918   363.939    99.194   413.084    104.421  50.120  8.4577  53.604  8.2964  -3.483929      11.84748 
1 1 1 -9  -49 27 o 27.764  8.6802  114.092    64.928   136.885    78.623   65.213     115.134  29.858  9.5786  25.181  10.726  4.677256       14.38055 
1 1 1 -9  -49 28 o 30.610  9.5491  144.104    78.626   144.104    78.626   0.0000     0.0000   30.610  9.5491  ?       ?       0.000000       9.549067 
1 1 1 -9  -49 29 o 27.026  9.7512  107.444    81.874   127.555    91.231   24.215     185.592  28.829  10.305  26.673  12.307  2.155407       16.05166 
1 1 1 -9  -49 30 o 18.364  8.0367  6.9260     68.179   88.900     75.004   -383.0162  163.585  25.229  9.2977  17.081  8.6013  8.148050       12.66605 
1 1 1 -9  -49 31 o 40.116  8.7022  237.407    82.268   240.249    107.167  233.329    128.371  38.267  10.973  36.390  12.268  1.876797       16.45941 
1 1 1 -9  -49 32 o 60.555  7.0840  504.432    102.119  569.258    133.902  414.311    157.878  62.056  9.1688  47.872  13.176  14.18480       16.05243 
1 1 1 -9  -49 33 f 19.003  8.0638  21.898     64.635   7.2901     81.958   45.931     105.120  19.721  8.7145  23.583  10.152  -3.861971      13.37912 
1 1 1 -9  -49 34 o 45.483  8.3006  299.362    88.230   368.647    117.470  209.689    133.642  48.549  10.292  34.333  12.447  14.21575       16.15099 
1 1 1 -9  -49 35 o 35.558  6.7252  174.908    55.899   108.009    92.859   212.928    70.004   27.120  10.273  38.591  7.7452  -11.47178      12.86527 
1 1 1 -9  -49 36 o 26.496  7.7786  101.600    53.288   127.372    90.445   87.897     65.951   28.658  10.259  24.838  8.7744  3.820002       13.49964 
1 1 1 -9  -49 37 o 59.170  4.9685  454.681    70.673   450.551    109.813  457.602    92.336   55.754  8.3763  57.862  6.7008  -2.108440      10.72673 
1 1 1 -9  -49 38 o 22.651  8.5828  66.684     64.836   0.0000     0.0000   66.684     64.836   ?       ?       22.651  8.5828  0.000000       8.582806 
1 1 1 -9  -49 39 o 20.611  8.1435  47.798     60.224   0.0000     0.0000   47.798     60.224   ?       ?       20.611  8.1435  0.000000       8.143536 
1 1 1 -9  -49 40 o 38.341  7.8755  213.370    70.814   474.519    178.581  164.645    77.138   48.770  14.218  32.485  9.3081  16.28511       16.99352 
1 1 1 -9  -49 41 o 18.270  6.0919  43.880     31.653   57.787     65.514   39.645     36.153   21.751  8.5252  17.922  6.4777  3.828571       10.70697 
1 1 1 -9  -49 42 o 21.728  5.9231  65.187     32.084   48.468     64.760   70.625     36.935   20.858  8.3772  22.461  6.4423  -1.602997      10.56788 
1 1 1 -9  -49 43 o 29.515  5.4818  117.727    37.814   123.636    71.199   115.406    44.628   28.179  9.1231  28.623  6.5655  -0.4434681     11.24000 
1 1 1 -9  -49 44 f 39.261  5.3943  205.912    50.030   173.529    93.515   218.897    59.217   32.067  10.460  39.838  6.3385  -7.770924      12.23087 
1 1 1 -9  -49 45 o 33.522  6.1145  154.947    47.901   281.953    91.403   106.857    56.243   42.708  9.0990  26.699  8.0293  16.00827       12.13513 
1 1 1 -9  -49 46 o 18.018  6.8573  37.961     41.502   33.978     83.797   39.255     47.773   20.958  9.0426  18.656  7.2888  2.302328       11.61445 
1 1 1 -9  -49 47 o 12.330  5.7128  -24.8724   40.612   -80.0874   84.795   -8.4367    46.263   15.821  7.5984  14.333  6.4265  1.487186       9.951710 
1 1 1 -9  -49 48 o 16.888  7.4041  6.4790     58.100   -78.1993   117.140  34.107     66.910   18.820  9.0102  19.699  8.2730  -0.8787537     12.23218 
1 1 1 -9  -49 49 o 26.016  9.0421  104.539    69.864   380.958    133.888  1.1138     81.898   45.934  11.912  18.918  8.5109  27.01583       14.64036 
1 1 1 -9  -49 50 o 22.371  8.5926  67.433     65.540   156.051    128.228  36.094     76.253   29.556  11.817  20.528  8.7363  9.027662       14.69565 
1 1 1 -9  -49 51 o 25.722  7.4588  97.331     49.267   193.055    99.525   66.261     56.701   33.283  10.787  21.953  8.0850  11.32948       13.48097 
1 1 1 -9  -49 52 o 24.899  7.4333  90.749     48.334   102.553    99.099   87.064     55.366   26.084  10.402  24.288  8.0548  1.796501       13.15596 
1 1 1 -9  -49 53 o 28.607  7.1159  118.526    49.189   266.901    101.735  73.258     56.193   40.005  10.388  22.716  8.0914  17.28898       13.16772 
1 1 1 -9  -49 54 o 37.564  6.2051  194.773    54.582   213.443    109.053  188.533    63.048   34.445  11.299  36.005  7.4619  -1.560246      13.54045 
1 1 1 -9  -49 55 o 17.781  7.6888  15.410     60.855   32.117     145.244  11.852     67.021   24.052  11.020  18.147  7.9543  5.905106       13.59070 
1 1 1 -9  -49 56 o 42.864  8.0073  273.367    80.219   476.010    174.306  218.914    90.357   47.155  14.125  36.230  9.9665  10.92497       17.28701 
1 1 1 -9  -49 57 o 23.500  10.966  15.531     153.830  15.531     153.830  0.0000     0.0000   23.500  10.966  ?       ?       0.000000       10.96562 
1 1 1 -9  -49 58 f 17.079  7.5043  9.5938     59.971   90.726     141.337  -8.2207    66.229   25.515  11.351  16.647  7.5555  8.867750       13.63539 
1 1 1 -9  -48 1  o 23.251  10.004  57.631     102.002  38.369     265.943  60.954     110.449  27.488  13.265  23.799  10.325  3.688911       16.80925 
1 1 1 -9  -48 2  o 32.078  11.302  185.191    109.341  335.205    295.915  161.471    117.669  34.058  15.650  30.065  11.522  3.992853       19.43381 
1 1 1 -9  -48 3  o 24.488  9.8565  82.997     89.869   191.411    288.408  71.339     94.577   30.966  14.626  23.863  9.9143  7.103910       17.66940 
1 1 1 -9  -48 4  o 25.670  10.059  99.065     91.191   0.0000     0.0000   99.065     91.191   ?       ?       25.670  10.059  0.000000       10.05902 
1 1 1 -9  -48 5  o 27.867  10.169  126.847    89.406   149.636    277.462  124.206    94.444   29.960  14.208  27.604  10.382  2.356050       17.59699 
1 1 1 -9  -48 6  o 16.800  7.7353  -23.3136   72.781   -299.6263  260.911  0.0012     75.789   22.565  11.294  18.310  8.2164  4.254791       13.96664 
1 1 1 -9  -48 7  o 31.556  10.522  170.642    94.433   265.724    273.409  157.763    100.625  32.638  15.014  30.201  10.820  2.436628       18.50703 
1 1 1 -9  -48 8  o 33.614  10.721  195.573    98.604   376.288    323.001  177.001    103.547  34.680  16.083  31.722  11.009  2.957901       19.49013 
1 1 1 -9  -48 9  o 23.219  9.3614  69.138     81.213   -218.0398  302.892  91.383     84.300   25.010  12.464  25.029  9.7089  -0.1873589E-01 15.79889 
1 1 1 -9  -48 10 o 17.427  7.9559  -16.5220   74.810   -62.5931   198.378  -8.8839    80.774   23.991  11.547  18.404  8.3493  5.587711       14.24972 
1 1 1 -9  -48 11 o 22.913  9.2038  65.279     78.185   115.816    215.391  57.610     83.908   29.092  13.362  22.640  9.3666  6.452534       16.31824 
1 1 1 -9  -48 12 o 21.850  8.9804  51.422     76.463   79.080     212.593  47.313     81.946   28.208  13.070  21.896  9.1737  6.311434       15.96786 
1 1 1 -9  -48 13 o 34.070  9.7930  185.239    85.264   -72.9684   209.055  236.761    93.383   24.613  11.848  38.551  9.9242  -13.93851      15.45556 
1 1 1 -9  -48 14 o 20.156  8.3925  35.012     67.983   14.291     194.202  37.906     72.575   26.262  12.277  20.729  8.6547  5.532898       15.02069 
1 1 1 -9  -48 15 o 28.737  9.6474  127.423    79.383   262.251    214.027  105.917    85.480   35.173  14.785  26.758  9.9134  8.414431       17.80114 
1 1 1 -9  -48 16 o 30.014  9.5317  138.960    78.005   164.459    198.811  134.320    84.806   31.582  13.775  29.392  9.9709  2.189898       17.00516 
1 1 1 -9  -48 17 o 52.955  8.1961  401.412    101.911  656.281    221.389  332.884    114.797  56.921  15.577  45.860  10.538  11.06065       18.80633 
1 1 1 -9  -48 18 o 25.573  9.5472  90.839     79.583   30.160     189.246  103.875    87.716   27.094  12.474  26.863  10.024  0.2306747      16.00293 
1 1 1 -9  -48 19 o 30.808  10.498  148.790    94.017   0.0000     0.0000   148.790    94.017   ?       ?       30.808  10.498  0.000000       10.49826 
1 1 1 -9  -48 20 o 66.613  6.4103  593.562    102.331  796.921    220.947  538.028    115.461  66.845  14.068  62.016  7.8487  4.829559       16.10906 
1 1 1 -9  -48 21 o 36.250  7.2472  182.961    61.516   165.558    86.401   200.851    87.605   32.750  9.9750  36.237  9.7498  -3.486713      13.94841 
1 1 1 -9  -48 22 o 16.277  7.0137  6.0096     50.276   -19.4533   72.091   30.120     70.150   17.395  7.8903  20.293  8.4937  -2.897335      11.59308 
1 1 1 -9  -48 23 o 26.393  7.9334  98.921     54.918   38.197     79.225   155.090    76.196   21.653  9.0416  32.205  9.2579  -10.55165      12.94057 
1 1 1 -9  -48 24 o 52.653  5.7002  363.497    71.662   376.001    99.424   349.977    103.384  51.622  8.2128  49.095  9.0107  2.527565       12.19194 
1 1 1 -9  -48 25 o 32.892  7.5312  152.012    58.811   196.437    80.216   100.378    86.480   36.461  9.0968  26.878  9.9685  9.582813       13.49529 
1 1 1 -9  -48 26 o 12.057  5.9231  -108.4793  59.993   -108.4793  59.993   0.0000     0.0000   12.057  5.9231  ?       ?       0.000000       5.923121 
1 1 1 -9  -48 27 o 26.468  9.4453  97.940     76.607   97.940     76.607   0.0000     0.0000   26.468  9.4453  ?       ?       0.000000       9.445308 
1 1 1 -9  -48 28 o 45.664  7.8080  290.733    83.404   271.922    92.421   373.262    193.588  43.136  9.1156  43.659  15.059  -0.5237999     17.60267 
1 1 1 -9  -48 29 o 50.564  5.2115  330.944    63.023   321.921    92.925   338.630    85.762   47.686  8.3346  49.713  7.3298  -2.027412      11.09921 
1 1 1 -9  -48 30 o 25.547  7.3781  91.059     48.294   136.316    74.185   57.775     63.621   30.363  9.2419  22.164  8.4771  8.198460       12.54090 
1 1 1 -9  -48 31 o 10.023  4.8714  -60.0717   37.515   -58.9564   65.708   -60.6111   45.695   14.725  6.9627  11.528  5.5471  3.196500       8.902207 
1 1 1 -9  -48 32 o 49.491  7.6933  339.715    89.384   315.063    117.245  373.926    138.120  44.862  10.882  47.885  11.931  -3.022671      16.14860 
1 1 1 -9  -48 33 o 56.585  7.3274  438.180    98.241   538.668    129.671  302.788    150.515  61.146  9.0100  41.310  13.253  19.83598       16.02587 
1 1 1 -9  -48 34 o 22.865  8.9812  59.797     72.848   -57.4996   101.330  185.272    104.803  18.876  8.8379  34.066  11.072  -15.19029      14.16656 
1 1 1 -9  -48 35 o 25.805  9.2901  92.412     74.265   48.908     99.046   148.279    112.242  23.732  10.021  30.898  11.376  -7.165323      15.16043 
1 1 1 -9  -48 36 o 32.808  9.6597  163.783    82.072   238.534    109.197  66.732     124.423  38.459  11.091  26.065  11.128  12.39367       15.71084 
1 1 1 -9  -48 37 o 62.683  6.4665  526.112    96.940   0.0000     0.0000   526.112    96.940   ?       ?       62.683  6.4665  0.000000       6.466515 
1 1 1 -9  -48 38 o 33.505  8.4990  164.466    69.200   0.0000     0.0000   164.466    69.200   ?       ?       33.505  8.4990  0.000000       8.498962 
1 1 1 -9  -48 39 o 32.447  7.0602  147.007    54.005   31.597     92.428   206.833    66.547   22.085  9.5130  38.416  7.4078  -16.33028      12.05709 
1 1 1 -9  -48 40 o 47.666  3.8894  287.426    44.591   287.881    82.676   287.239    52.953   45.078  7.8437  47.223  4.6831  -2.145702      9.135398 
1 1 1 -9  -48 41 o 19.382  6.2798  49.821     33.730   70.355     63.203   41.644     39.885   23.077  8.5293  18.585  6.7905  4.492428       10.90230 
1 1 1 -9  -48 42 o 23.168  6.0125  73.638     34.093   40.134     65.584   86.045     39.909   20.465  8.3532  24.861  6.5312  -4.395557      10.60344 
1 1 1 -9  -48 43 o 13.559  5.7137  7.3012     32.091   36.480     63.609   -2.6610    37.167   19.966  8.1967  13.477  5.9151  6.488358       10.10813 
1 1 1 -9  -48 44 o 35.132  4.9923  162.172    41.359   101.347    76.113   187.657    49.268   26.180  9.4071  37.491  5.5865  -11.31136      10.94088 
1 1 1 -9  -48 45 o 16.926  6.5258  30.425     37.905   15.020     63.984   38.755     47.050   18.304  7.8996  18.705  7.2540  -0.4008694     10.72496 
1 1 1 -9  -48 46 o 22.580  7.1719  71.863     44.161   48.277     87.510   79.921     51.152   22.335  9.4249  23.626  7.7377  -1.291342      12.19434 
1 1 1 -9  -48 47 o 23.491  7.2662  78.857     45.635   82.384     90.711   77.662     52.804   24.736  9.9215  23.322  7.8681  1.413305       12.66268 
1 1 1 -9  -48 48 o 17.273  6.9841  27.095     45.343   24.187     92.313   28.020     52.056   21.142  9.2996  18.037  7.4112  3.105354       11.89153 
1 1 1 -9  -48 49 o 30.299  8.5699  140.373    65.822   170.646    104.581  120.514    84.703   31.428  11.055  27.610  9.9235  3.818495       14.85561 
1 1 1 -9  -48 50 o 39.254  8.2952  229.610    76.534   285.928    146.171  208.339    89.832   37.862  13.084  35.745  9.9771  2.117165       16.45361 
1 1 1 -9  -48 51 o 14.934  6.8682  -24.3920   57.159   -14.5098   125.748  -26.9656   64.171   21.670  10.044  15.703  7.2421  5.966926       12.38293 
1 1 1 -9  -48 52 o 34.328  6.9095  166.768    55.560   166.399    139.669  166.837    60.557   30.489  12.282  33.868  7.5606  -3.378695      14.42269 
1 1 1 -9  -48 53 o 27.982  7.1138  112.685    48.406   169.302    99.130   94.958     55.469   31.569  10.780  25.362  8.0360  6.206524       13.44551 
1 1 1 -9  -48 54 f 37.311  6.2068  190.963    54.217   193.812    108.626  190.018    62.568   33.243  11.285  36.413  7.3352  -3.170410      13.45916 
1 1 1 -9  -48 55 o 17.542  7.0272  29.741     45.442   115.982    98.216   6.2508     51.258   27.260  10.506  16.150  7.0199  11.11059       12.63558 
1 1 1 -9  -48 56 o 28.559  9.0208  127.294    69.939   146.660    161.767  122.842    77.562   29.391  12.622  27.869  9.5352  1.521990       15.81845 
1 1 1 -9  -48 57 o 34.277  13.934  262.241    181.582  262.241    181.582  0.0000     0.0000   34.277  13.934  ?       ?       0.000000       13.93444 
1 1 1 -9  -48 58 f 15.405  7.0382  -17.6940   58.687   -146.3054  154.209  4.0879     63.463   19.658  9.6240  17.268  7.6475  2.389784       12.29249 
1 1 1 -9  -48 59 o 18.848  8.0351  27.280     64.708   102.101    177.163  15.761     69.511   26.934  12.275  18.485  8.1017  8.448395       14.70791 
1 1 1 -9  -47 1  o 21.584  9.4464  30.169     94.201   339.176    242.977  -24.4942   102.194  36.214  15.508  19.633  9.0843  16.58043       17.97244 
1 1 1 -9  -47 2  o 19.859  8.7537  15.360     82.201   256.669    277.471  -7.8556    86.064   33.048  15.175  18.975  8.6124  14.07305       17.44823 
1 1 1 -9  -47 3  o 20.345  8.2299  44.495     62.992   72.661     90.246   17.734     87.966   23.934  9.7872  20.436  9.0293  3.498341       13.31606 
1 1 1 -9  -47 4  o 23.802  8.6218  81.237     64.098   213.205    93.992   -33.4893   87.637   35.860  10.275  17.954  8.3437  17.90633       13.23579 
1 1 1 -9  -47 5  o 53.936  6.5918  401.336    84.472   462.247    119.205  339.899    119.718  54.943  9.2717  44.807  11.075  10.13621       14.44367 
1 1 1 -9  -47 6  o 22.610  8.4869  69.103     63.054   44.682     92.227   90.537     86.402   22.298  9.5514  25.166  9.8106  -2.868633      13.69227 
1 1 1 -9  -47 7  o 16.260  7.2514  -4.7854    58.070   89.247     82.588   -96.7326   81.667   25.031  9.6377  15.049  7.2840  9.982000       12.08059 
1 1 1 -9  -47 8  o 17.255  7.2628  18.679     51.753   55.367     70.175   -25.0674   76.629   21.826  8.7363  17.314  7.9590  4.511820       11.81819 
1 1 1 -9  -47 9  o 48.939  6.1774  323.897    71.720   283.304    96.096   374.937    107.756  42.868  9.4894  49.760  9.2658  -6.891495      13.26286 
1 1 1 -9  -47 10 o 26.008  8.4082  99.143     60.493   63.218     80.772   145.035    91.292   23.175  9.3387  30.135  10.344  -6.959665      13.93583 
1 1 1 -9  -47 11 o 51.666  6.2273  359.143    76.493   362.110    102.875  355.474    114.395  49.533  8.8861  47.733  10.187  1.799767       13.51816 
1 1 1 -9  -47 12 o 25.524  8.3707  93.661     59.855   24.859     79.740   182.461    90.590   20.607  8.8556  33.944  10.186  -13.33724      13.49741 
1 1 1 -9  -47 13 o 24.656  9.1993  81.912     73.866   3.9171     191.786  95.496     80.041   26.524  12.332  26.040  9.6036  0.4837513      15.63039 
1 1 1 -9  -47 14 o 12.469  6.0271  -75.9462   55.470   -76.7700   177.969  -75.8576   58.378   23.812  11.318  12.917  6.2286  10.89488       12.91848 
1 1 1 -9  -47 15 o 23.125  9.0621  62.675     74.016   60.044     186.518  63.167     80.637   28.373  12.797  23.544  9.3849  4.828081       15.86915 
1 1 1 -9  -47 16 o 68.593  7.2819  641.427    119.342  915.880    238.244  549.490    137.889  72.531  14.045  61.090  9.6207  11.44065       17.02401 
1 1 1 -9  -47 17 f 62.891  7.5262  542.381    112.568  417.270    225.810  583.754    129.854  44.417  16.168  64.253  8.5406  -19.83669      18.28534 
1 1 1 -9  -47 18 o 26.396  9.3228  96.944     74.447   74.277     183.574  101.405    81.445   29.185  12.962  26.962  9.7260  2.223413       16.20516 
1 1 1 -9  -47 19 o 32.720  9.8690  160.853    84.876   232.995    188.376  142.476    95.074   36.346  14.389  30.792  10.557  5.553648       17.84651 
1 1 1 -9  -47 20 o 68.062  7.2060  624.726    117.194  442.946    226.474  691.204    136.957  46.578  16.275  70.684  8.1338  -24.10612      18.19411 
1 1 1 -9  -47 21 o 26.214  9.4943  92.623     77.724   90.897     168.866  93.087     87.548   29.625  12.809  26.581  9.9959  3.043354       16.24784 
1 1 1 -9  -47 22 o 28.829  10.225  118.446    89.650   0.0000     0.0000   118.446    89.650   ?       ?       28.829  10.225  0.000000       10.22527 
1 1 1 -9  -47 23 o 28.768  10.232  117.268    89.819   0.0000     0.0000   117.268    89.819   ?       ?       28.768  10.232  0.000000       10.23155 
1 1 1 -9  -47 24 o 36.516  9.4794  195.552    84.727   181.712    172.176  199.974    97.327   34.222  13.689  36.318  10.470  -2.095356      17.23412 
1 1 1 -9  -47 25 o 23.661  9.0853  65.168     73.257   65.168     73.257   0.0000     0.0000   23.661  9.0853  ?       ?       0.000000       9.085299 
1 1 1 -9  -47 26 o 20.616  8.6007  28.508     71.595   28.508     71.595   0.0000     0.0000   20.616  8.6007  ?       ?       0.000000       8.600686 
1 1 1 -9  -47 27 o 25.790  8.7769  90.421     65.713   85.777     75.405   105.079    133.980  25.637  9.3415  29.316  11.949  -3.678228      15.16741 
1 1 1 -9  -47 28 o 30.438  7.2107  127.332    52.436   140.025    78.278   117.001    70.622   31.043  9.5024  28.693  9.0649  2.350561       13.13267 
1 1 1 -9  -47 29 o 18.669  7.0218  37.704     43.205   86.208     71.713   10.067     54.132   25.544  9.1362  17.289  7.3593  8.255575       11.73157 
1 1 1 -9  -47 30 o 13.685  6.0413  -6.9158    39.298   -22.0513   64.366   2.0790     49.620   16.502  7.4731  16.045  6.9405  0.4567947      10.19892 
1 1 1 -9  -47 31 o 21.545  7.2619  60.009     44.981   66.252     70.596   55.743     58.361   23.610  8.9537  21.837  8.1712  1.773409       12.12173 
1 1 1 -9  -47 32 o 22.504  7.2765  67.283     45.304   126.808    73.313   30.510     57.623   29.692  9.2140  19.381  7.8603  10.31053       12.11127 
1 1 1 -9  -47 33 o 24.531  7.5164  82.241     48.964   114.878    77.439   60.501     63.202   28.426  9.5286  22.598  8.4940  5.827856       12.76486 
1 1 1 -9  -47 34 o 45.080  8.3454  284.789    87.922   107.194    120.583  486.377    128.471  28.838  11.482  58.211  9.4172  -29.37329      14.85017 
1 1 1 -9  -47 35 o 27.553  9.4639  106.756    76.425   128.039    103.129  80.830     113.824  29.812  10.915  26.883  10.992  2.929024       15.49091 
1 1 1 -9  -47 36 o 60.849  11.564  573.656    164.496  0.0000     0.0000   573.656    164.496  ?       ?       60.849  11.564  0.000000       11.56412 
1 1 1 -9  -47 37 o 23.157  9.9479  32.694     100.554  0.0000     0.0000   32.694     100.554  ?       ?       23.157  9.9479  0.000000       9.947929 
1 1 1 -9  -47 38 f 30.647  9.6131  139.092    79.561   130.949    109.974  148.033    115.243  29.939  11.214  31.245  11.524  -1.306578      16.07935 
1 1 1 -9  -47 39 o 61.063  4.5816  474.439    67.388   482.004    97.175   467.430    93.532   59.934  6.8028  59.152  6.6308  0.7818680      9.499743 
1 1 1 -9  -47 40 o 55.491  3.9310  387.631    52.586   420.873    90.397   370.628    64.650   55.913  6.8033  53.647  5.0252  2.266178       8.457985 
1 1 1 -9  -47 41 o 16.650  6.0515  31.796     31.616   19.041     66.387   35.537     35.956   19.173  8.1553  17.578  6.4436  1.594593       10.39367 
1 1 1 -9  -47 42 o 19.869  6.3037  52.337     34.123   80.802     66.687   42.240     39.717   24.440  8.8029  18.744  6.7872  5.695856       11.11563 
1 1 1 -9  -47 43 o 22.509  6.2236  69.185     35.130   100.758    68.752   58.029     40.867   26.456  8.9777  20.884  6.9200  5.571737       11.33512 
1 1 1 -9  -47 44 f 40.744  4.5357  213.435    44.080   259.086    79.538   193.199    52.956   42.665  7.9764  38.005  5.9368  4.660366       9.943279 
1 1 1 -9  -47 45 o 41.321  4.5631  219.904    44.987   310.290    82.712   181.932    53.610   47.090  7.4897  36.634  6.2558  10.45644       9.758632 
1 1 1 -9  -47 46 o 16.047  6.1921  26.013     34.151   92.677     66.450   2.0839     39.811   25.387  8.8187  14.341  6.2101  11.04597       10.78583 
1 1 1 -9  -47 47 o 47.739  5.0289  297.220    57.375   314.835    105.776  289.877    68.295   44.949  9.9604  46.306  6.2370  -1.357449      11.75204 
1 1 1 -9  -47 48 o 12.183  5.6612  -27.9018   40.332   -66.9146   84.166   -16.2729   45.952   16.443  7.8059  13.880  6.2972  2.562858       10.02933 
1 1 1 -9  -47 49 o 10.672  5.1414  -52.7403   39.541   11.662     85.126   -70.4589   44.651   20.070  8.8742  10.823  5.2725  9.246868       10.32235 
1 1 1 -9  -47 50 o 27.517  8.3697  113.152    60.860   75.565     95.742   138.638    78.838   24.577  10.069  29.678  9.5992  -5.100628      13.91155 
1 1 1 -9  -47 51 o 43.721  7.8708  276.049    80.427   293.526    150.710  269.090    95.100   38.616  13.288  41.497  9.6307  -2.880959      16.41140 
1 1 1 -9  -47 52 f 31.050  9.1279  149.574    73.335   263.499    137.737  104.501    86.636   37.301  12.707  26.437  9.9433  10.86356       16.13488 
1 1 1 -9  -47 53 o 17.689  7.1749  27.927     48.018   -118.0096  134.125  49.382     51.427   19.350  9.3579  20.136  7.6406  -0.7863235     12.08093 
1 1 1 -9  -47 54 o 11.185  5.3354  -45.1362   40.289   -391.9136  139.064  -13.3623   42.094   14.967  7.5795  13.437  6.0681  1.529464       9.709289 
1 1 1 -9  -47 55 o 8.6466  4.3007  -82.4265   35.350   -276.3524  87.365   -44.4602   38.656   11.796  5.9775  10.916  5.2125  0.8800793      7.930995 
1 1 1 -9  -47 56 o 13.363  6.0168  -11.8983   41.032   33.070     93.739   -22.5566   45.636   21.874  9.5007  13.401  6.1535  8.473232       11.31941 
1 1 1 -9  -47 57 o 45.056  15.115  450.586    194.857  450.586    194.857  0.0000     0.0000   45.056  15.115  ?       ?       0.000000       15.11492 
1 1 1 -9  -47 58 o 25.787  9.0343  100.184    69.810   37.873     177.831  111.536    75.903   25.890  11.981  26.872  9.4200  -0.9825497     15.24056 
1 1 1 -9  -47 59 o 25.507  9.1117  98.795     71.309   254.876    186.068  71.924     77.204   33.843  13.971  23.255  9.2102  10.58821       16.73331 
1 1 1 -9  -47 60 o 20.622  8.5108  45.592     69.030   338.218    186.535  -0.8406    74.305   37.330  14.453  18.043  8.1129  19.28738       16.57436 
1 1 1 -9  -46 1  o 16.433  7.2150  2.4532     55.344   -72.9504   90.221   47.945     70.078   16.800  8.0056  21.220  8.6448  -4.419958      11.78232 
1 1 1 -9  -46 2  o 28.943  8.2049  125.085    60.264   45.978     95.893   176.723    77.476   22.705  9.7329  33.701  9.2115  -10.99570      13.40081 
1 1 1 -9  -46 3  o 22.694  8.1610  70.861     57.295   22.239     90.625   103.235    73.948   21.035  9.2343  26.236  9.2887  -5.200470      13.09780 
1 1 1 -9  -46 4  o 17.689  7.4204  21.056     53.726   -70.3127   85.672   80.279     68.974   16.442  7.8259  24.007  8.9028  -7.564358      11.85342 
1 1 1 -9  -46 5  o 24.870  8.1532  89.547     56.787   67.115     92.291   103.214    72.037   23.955  9.8583  26.331  9.1800  -2.376152      13.47065 
1 1 1 -9  -46 6  o 42.343  6.7459  247.077    66.982   346.041    106.887  183.084    85.952   47.579  9.5898  34.036  9.8468  13.54311       13.74499 
1 1 1 -9  -46 7  o 42.295  6.3682  242.754    63.327   236.039    94.009   248.332    85.686   38.845  9.9346  40.828  8.9006  -1.982605      13.33855 
1 1 1 -9  -46 8  o 91.672  4.7380  1077.58    105.029  1104.19    153.167  1053.97    144.297  89.898  7.0791  88.208  6.7942  1.689507       9.811990 
1 1 1 -9  -46 9  o 40.339  6.5600  221.121    62.003   225.866    87.991   216.442    87.382   38.643  9.4605  37.739  9.5381  0.9038620      13.43414 
1 1 1 -9  -46 10 o 25.682  8.0222  93.518     55.471   69.943     78.970   116.479    77.935   23.972  9.3697  28.115  9.5584  -4.143160      13.38487 
1 1 1 -9  -46 11 o 17.264  7.1161  20.423     48.185   -1.1745    68.014   42.186     68.275   18.008  7.9489  21.107  8.5575  -3.099163      11.67973 
1 1 1 -9  -46 12 o 31.632  7.3811  139.773    55.617   128.465    78.621   151.101    78.688   29.489  9.5898  31.819  9.4811  -2.330233      13.48537 
1 1 1 -9  -46 13 o 23.015  7.7278  70.891     50.935   140.848    75.078   11.233     69.332   30.937  9.2708  19.039  8.2200  11.89728       12.39013 
1 1 1 -9  -46 14 o 45.001  5.7172  264.849    61.019   296.027    88.402   236.479    84.329   45.964  8.2287  40.566  8.8189  5.397655       12.06166 
1 1 1 -9  -46 15 o 69.950  4.8348  622.794    81.555   609.575    116.863  635.345    113.868  67.273  7.2752  69.037  6.8896  -1.764244      10.01973 
1 1 1 -9  -46 16 o 52.294  5.5179  353.772    68.958   324.963    97.107   383.078    97.940   48.046  8.6478  52.836  7.8805  -4.790771      11.69984 
1 1 1 -9  -46 17 o 49.663  5.6750  320.033    67.157   316.580    95.509   323.410    94.450   47.514  8.6009  48.194  8.3811  -0.6800385     12.00910 
1 1 1 -9  -46 18 f 32.284  7.4780  143.604    57.428   179.976    80.057   105.047    82.426   35.284  9.2412  27.701  9.8068  7.582430       13.47493 
1 1 1 -9  -46 19 o 36.392  7.4724  181.137    63.773   219.727    85.893   133.731    95.200   39.139  9.1998  30.519  10.558  8.619659       14.00385 
1 1 1 -9  -46 20 o 32.685  9.6060  154.714    81.228   88.625     169.276  174.484    92.583   30.192  12.937  34.359  10.295  -4.166948      16.53294 
1 1 1 -9  -46 21 o 28.880  9.6095  116.743    78.777   291.014    165.415  65.623     89.589   41.611  13.926  24.909  9.9037  16.70222       17.08885 
1 1 1 -9  -46 22 o 28.084  9.1553  109.345    71.641   -49.9004   160.483  148.977    80.062   24.593  11.381  32.189  9.5572  -7.595470      14.86151 
1 1 1 -9  -46 23 o 26.512  9.4444  92.226     76.560   201.479    159.349  59.438     87.296   36.049  13.499  24.355  9.7457  11.69358       16.64975 
1 1 1 -9  -46 24 o 29.538  12.533  82.005     156.092  82.005     156.092  0.0000     0.0000   29.538  12.533  ?       ?       0.000000       12.53260 
1 1 1 -9  -46 25 f 31.300  12.899  115.648    158.288  115.648    158.288  0.0000     0.0000   31.300  12.899  ?       ?       0.000000       12.89930 
1 1 1 -9  -46 26 o 16.867  7.5888  -19.5966   65.132   111.713    147.776  -51.2539   72.559   30.736  12.541  16.237  7.5614  14.49868       14.64442 
1 1 1 -9  -46 27 o 26.545  9.3556  92.716     74.935   340.298    158.051  20.923     85.109   45.775  13.384  21.603  9.2124  24.17244       16.24832 
1 1 1 -9  -46 28 o 24.448  6.9608  80.375     43.277   65.739     76.004   87.397     52.644   24.148  9.2584  25.423  7.7945  -1.275087      12.10253 
1 1 1 -9  -46 29 o 13.233  5.7854  -4.2847    35.254   -9.8514    68.177   -2.2530    41.188   17.846  7.9138  14.465  6.2901  3.381094       10.10908 
1 1 1 -9  -46 30 o 36.856  5.9396  177.645    51.312   193.042    80.814   167.244    66.419   36.878  9.0895  34.789  8.0311  2.089859       12.12924 
1 1 1 -9  -46 31 o 20.726  7.2769  52.408     45.304   88.479     76.175   32.667     56.353   26.174  9.4103  19.597  7.8343  6.576422       12.24462 
1 1 1 -9  -46 32 o 21.745  7.3610  60.120     46.218   85.229     75.586   45.127     58.410   25.834  9.3619  20.954  8.0947  4.879671       12.37616 
1 1 1 -9  -46 33 o 16.099  6.6638  13.677     42.499   -34.8944   78.174   34.055     50.636   17.705  8.1018  19.118  7.4945  -1.413002      11.03663 
1 1 1 -9  -46 34 o 24.489  7.3710  80.890     47.384   25.353     80.363   110.488    58.666   21.385  9.0284  28.234  8.1255  -6.848547      12.14645 
1 1 1 -9  -46 35 o 12.903  6.0423  -41.0062   47.403   0.0000     0.0000   -41.0062   47.403   ?       ?       12.903  6.0423  0.000000       6.042260 
1 1 1 -9  -46 36 o 41.966  11.918  275.651    127.033  0.0000     0.0000   275.651    127.033  ?       ?       41.966  11.918  0.000000       11.91799 
1 1 1 -9  -46 37 o 35.066  9.5587  179.022    83.559   41.318     116.536  324.730    119.875  25.086  10.741  46.517  10.824  -21.43093      15.24897 
1 1 1 -9  -46 38 o 42.793  7.7168  250.909    77.177   236.686    94.623   279.173    133.391  40.185  9.7938  41.698  12.326  -1.512512      15.74286 
1 1 1 -9  -46 39 f 44.718  5.3270  258.150    56.663   270.207    96.547   251.815    69.983   43.179  9.4754  43.323  6.8880  -0.1444740     11.71446 
1 1 1 -9  -46 40 o 60.710  4.9180  470.052    71.823   657.453    119.473  363.995    89.878   70.093  7.1237  51.855  7.3489  18.23825       10.23494 
1 1 1 -9  -46 41 o 42.641  4.2902  230.453    43.786   307.967    78.010   194.801    52.905   47.867  6.9173  38.470  5.8522  9.396275       9.060784 
1 1 1 -9  -46 42 o 32.502  5.1668  137.706    39.383   155.492    73.360   130.504    46.680   32.665  8.9780  31.085  6.4022  1.580198       11.02694 
1 1 1 -9  -46 43 o 29.708  5.5154  116.729    38.294   199.766    70.302   81.698     45.662   37.688  7.9384  24.355  7.2145  13.33331       10.72697 
1 1 1 -9  -46 44 o 21.371  6.2357  61.526     34.339   32.709     65.349   72.518     40.360   20.149  8.2942  23.043  6.7709  -2.893549      10.70697 
1 1 1 -9  -46 45 o 20.906  6.2465  58.788     34.122   130.132    66.352   33.137     39.785   29.861  8.6552  17.648  6.7146  12.21328       10.95439 
1 1 1 -9  -46 46 o 35.846  4.9413  167.003    41.836   182.055    77.480   160.807    49.705   34.985  9.0566  34.561  6.1527  0.4243088      10.94889 
1 1 1 -9  -46 47 o 85.710  3.8683  922.461    80.447   1032.85    133.192  859.061    100.939  88.139  6.2688  81.544  5.1277  6.595650       8.098822 
1 1 1 -9  -46 48 f 29.437  7.1717  122.213    50.753   153.912    98.537   110.767    59.211   31.095  10.742  27.584  8.2256  3.511452       13.52996 
1 1 1 -9  -46 49 o 47.717  5.0927  296.723    58.052   273.504    107.996  306.159    68.844   41.189  10.707  47.809  6.0716  -6.619423      12.30859 
1 1 1 -9  -46 50 o 25.958  7.2380  95.843     47.303   28.817     94.382   118.327    54.665   21.885  9.5193  28.603  7.7041  -6.717770      12.24625 
1 1 1 -9  -46 51 o 18.323  7.1517  35.429     45.957   -39.2496   137.533  44.815     48.760   22.005  10.301  19.560  7.4355  2.445623       12.70409 
1 1 1 -9  -46 52 o 17.131  7.6777  -7.7541    65.959   0.0000     0.0000   -7.7541    65.959   ?       ?       17.131  7.6777  0.000000       7.677660 
1 1 1 -9  -46 53 o 10.943  5.3601  -82.6481   47.999   -260.0758  107.280  -38.2400   53.671   14.129  7.0957  13.798  6.4514  0.3306828      9.590081 
1 1 1 -9  -46 54 o 18.547  7.1215  38.352     45.011   -81.5505   95.822   72.298     50.985   17.185  8.2062  22.813  7.7312  -5.628248      11.27446 
1 1 1 -9  -46 55 o 16.901  6.6668  27.534     40.300   -134.6718  94.136   63.934     44.594   15.444  7.5521  21.638  7.2309  -6.194642      10.45564 
1 1 1 -9  -46 56 o 22.871  7.5007  72.933     48.059   100.136    102.589  65.285     54.398   26.695  10.603  22.121  7.9523  4.574265       13.25374 
1 1 1 -9  -46 57 o 15.343  7.0645  -27.9993   60.714   13.345     158.133  -35.1478   65.754   24.872  11.433  15.635  7.2527  9.236927       13.53961 
1 1 1 -9  -46 58 o 21.105  8.5415  47.212     67.889   196.328    178.214  21.900     73.425   32.458  13.558  19.702  8.4826  12.75611       15.99265 
1 1 1 -9  -46 59 o 21.040  8.5433  47.200     68.158   191.693    182.936  23.910     73.446   31.914  13.555  19.758  8.4952  12.15552       15.99746 
1 1 1 -9  -46 60 o 28.669  9.3204  129.344    74.267   192.811    192.691  118.271    80.485   31.483  13.648  27.445  9.6934  4.037176       16.73983 
1 1 1 -9  -45 1  f 10.907  5.3489  -84.8008   48.252   -90.4570   82.846   -81.8970   59.359   15.486  7.4559  12.746  6.1796  2.739841       9.683915 
1 1 1 -9  -45 2  o 15.300  6.7534  -2.9912    49.091   -42.9304   81.364   19.870     61.558   17.131  7.9875  18.491  7.8589  -1.359978      11.20547 
1 1 1 -9  -45 3  o 25.906  8.2564  97.429     58.487   202.432    93.322   29.506     75.057   35.591  10.250  20.455  8.6853  15.13588       13.43476 
1 1 1 -9  -45 4  o 38.954  6.8193  209.036    62.106   235.589    100.086  192.409    79.198   38.422  10.456  35.709  9.1109  2.712631       13.86874 
1 1 1 -9  -45 5  o 54.184  5.6310  385.979    72.951   437.890    115.750  351.771    93.961   54.694  9.0377  49.813  8.0483  4.880684       12.10184 
1 1 1 -9  -45 6  o 47.756  5.7661  300.792    65.463   341.993    98.464   268.154    87.638   48.718  8.6463  42.973  8.7033  5.744801       12.26808 
1 1 1 -9  -45 7  o 40.120  6.5234  217.251    61.321   183.390    89.197   247.598    84.442   34.557  10.041  41.371  8.6885  -6.813789      13.27790 
1 1 1 -9  -45 8  o 18.080  7.3092  26.901     49.656   30.350     71.858   23.749     68.696   20.577  8.6033  19.805  8.3536  0.7723675      11.99162 
1 1 1 -9  -45 9  o 22.336  7.7787  64.840     51.718   -27.1695   71.811   163.991    74.545   17.088  7.7986  33.508  8.9846  -16.41981      11.89705 
1 1 1 -9  -45 10 o 13.383  6.1545  -27.0187   45.886   -1.0322    62.292   -57.8492   67.850   17.469  7.6626  15.148  7.1360  2.321468       10.47081 
1 1 1 -9  -45 11 o 29.795  7.5007  123.250    54.190   88.278     75.661   160.083    77.649   25.839  9.3661  33.133  9.2858  -7.294123      13.18898 
1 1 1 -9  -45 12 o 41.651  6.1030  228.282    59.849   287.169    86.011   173.010    83.330   45.583  8.0719  34.359  9.6160  11.22460       12.55484 
1 1 1 -9  -45 13 o 19.410  7.3302  40.573     47.192   63.843     69.982   21.166     63.910   23.451  8.9095  19.356  8.1049  4.095341       12.04445 
1 1 1 -9  -45 14 o 39.863  6.1234  208.714    57.334   286.615    83.552   139.388    78.820   45.866  7.7861  31.161  9.5347  14.70479       12.30989 
1 1 1 -9  -45 15 o 14.999  6.6022  -6.5135    46.602   6.9717     65.998   -19.9234   65.814   18.635  8.0327  16.918  7.6185  1.716963       11.07095 
1 1 1 -9  -45 16 o 23.372  7.7660  71.224     51.457   119.120    71.073   18.458     74.598   29.191  9.0743  20.401  8.6604  8.789925       12.54377 
1 1 1 -9  -45 17 o 26.701  7.7613  97.198     53.286   126.754    73.425   64.312     77.450   30.049  9.2040  24.155  9.3239  5.893764       13.10148 
1 1 1 -9  -45 18 o 32.663  7.2183  144.278    55.685   164.851    76.860   121.550    80.786   34.140  9.1095  29.570  9.7261  4.570299       13.32589 
1 1 1 -9  -45 19 o 46.278  5.8512  276.688    64.234   314.060    89.508   237.002    92.236   48.206  7.9280  40.866  9.4848  7.340488       12.36181 
1 1 1 -9  -45 20 f 89.146  4.5173  995.384    97.392   915.261    138.016  1074.85    137.453  83.792  6.8482  91.370  6.2372  -7.577957      9.262877 
1 1 1 -9  -45 21 o 55.357  4.9776  387.880    66.144   317.433    96.468   450.385    90.867   48.135  8.5740  58.880  6.4668  -10.74517      10.73926 
1 1 1 -9  -45 22 o 33.297  7.6113  150.623    60.152   111.279    79.401   203.615    92.149   28.653  9.6483  37.685  9.9361  -9.031675      13.84978 
1 1 1 -9  -45 23 o 38.631  9.0498  208.747    83.341   208.747    83.341   0.0000     0.0000   38.631  9.0498  ?       ?       0.000000       9.049790 
1 1 1 -9  -45 24 o 35.433  13.507  179.475    161.175  179.475    161.175  0.0000     0.0000   35.433  13.507  ?       ?       0.000000       13.50677 
1 1 1 -9  -45 25 o 52.371  7.7769  366.621    95.822   586.612    178.625  277.734    113.542  62.755  12.170  43.654  10.783  19.10120       16.25980 
1 1 1 -9  -45 26 o 39.455  7.7113  210.042    71.176   366.258    165.948  174.825    78.792   48.027  13.616  35.306  9.1296  12.72068       16.39306 
1 1 1 -9  -45 27 o 23.967  8.1384  73.343     56.498   161.755    152.643  59.309     60.817   34.257  13.124  22.699  8.3713  11.55856       15.56644 
1 1 1 -9  -45 28 o 44.682  7.3345  265.557    76.758   321.046    167.555  250.819    86.352   44.711  13.939  42.711  8.6293  2.000111       16.39351 
1 1 1 -9  -45 29 o 34.880  7.8888  165.775    65.201   227.490    149.110  151.186    72.500   38.515  13.220  32.936  8.8728  5.579151       15.92134 
1 1 1 -9  -45 30 o 15.663  6.6642  5.0323     44.351   -56.4899   131.783  12.891     47.099   22.500  10.377  16.770  6.9843  5.729877       12.50876 
1 1 1 -9  -45 31 o 32.120  7.2571  139.051    55.225   106.315    96.585   154.951    67.315   28.760  10.558  33.525  8.3156  -4.764791      13.43960 
1 1 1 -9  -45 32 o 30.628  7.4165  127.105    54.529   231.167    101.288  84.637     64.705   39.972  10.359  25.530  8.7093  14.44215       13.53336 
1 1 1 -9  -45 33 f 46.497  5.7044  277.986    63.007   288.095    114.864  273.635    75.356   44.423  10.768  45.474  7.0583  -1.050709      12.87550 
1 1 1 -9  -45 34 o 82.633  5.8295  872.901    116.133  0.0000     0.0000   872.901    116.133  ?       ?       82.633  5.8295  0.000000       5.829489 
1 1 1 -9  -45 35 o 31.232  8.3845  135.141    64.874   0.0000     0.0000   135.141    64.874   ?       ?       31.232  8.3845  0.000000       8.384475 
1 1 1 -9  -45 36 o 34.444  6.6983  157.891    53.965   207.577    90.462   130.439    67.240   38.047  9.7533  30.603  8.6637  7.443848       13.04555 
1 1 1 -9  -45 37 o 15.618  6.4133  13.749     38.953   17.295     55.693   10.353     54.503   18.226  7.5932  17.508  7.4158  0.7181988      10.61370 
1 1 1 -9  -45 38 o 44.608  7.8271  269.971    81.628   -0.0038    101.919  752.983    136.324  22.023  9.7253  75.209  7.5733  -53.18653      12.32629 
1 1 1 -9  -45 39 o 10.246  4.8039  -28.5618   30.117   -62.1040   59.026   -16.7558   35.019   13.799  6.5466  12.151  5.5066  1.647669       8.554577 
1 1 1 -9  -45 40 o 28.941  6.3072  111.884    43.039   53.729     80.249   135.365    50.993   23.407  9.3519  31.686  6.8335  -8.279203      11.58250 
1 1 1 -9  -45 41 o 13.934  5.9504  2.8977     35.594   20.859     73.500   -2.6052    40.683   20.371  8.6191  14.317  6.2384  6.054074       10.63985 
1 1 1 -9  -45 42 o 37.304  4.7195  177.842    41.762   150.903    75.770   189.597    50.051   32.361  9.2092  38.174  5.5675  -5.812244      10.76134 
1 1 1 -9  -45 43 o 32.175  5.2337  134.681    39.455   65.007     71.874   164.732    47.202   23.603  9.0143  35.460  5.6777  -11.85659      10.65335 
1 1 1 -9  -45 44 o 19.027  6.2918  46.072     33.790   53.044     67.568   43.747     39.020   22.207  8.6705  19.041  6.7468  3.165813       10.98622 
1 1 1 -9  -45 45 o 24.208  5.9615  78.806     34.785   5.2135     66.695   106.305    40.769   18.404  8.0037  28.108  6.1488  -9.704533      10.09287 
1 1 1 -9  -45 46 o 10.103  4.7255  -25.6708   28.848   60.188     60.021   -51.4636   32.897   22.262  8.2951  9.4893  4.6005  12.77245       9.485432 
1 1 1 -9  -45 47 o 39.524  4.7276  200.792    44.438   193.981    81.419   203.682    53.034   36.218  9.2362  39.317  5.7274  -3.099796      10.86784 
1 1 1 -9  -45 48 o 45.834  4.4332  267.916    48.687   301.461    88.530   253.371    58.295   46.153  8.2061  43.945  5.5939  2.207684       9.931367 
1 1 1 -9  -45 49 o 53.861  4.8207  372.922    62.336   375.419    116.093  371.910    73.891   49.869  9.9430  53.116  5.8290  -3.246769      11.52565 
1 1 1 -9  -45 50 o 38.938  5.9367  202.436    54.315   229.899    104.078  192.157    63.673   37.817  10.804  37.064  7.3397  0.7533035      13.06147 
1 1 1 -9  -45 51 o 24.627  7.6321  85.683     50.320   261.062    140.181  59.743     53.913   38.066  12.820  21.608  7.8950  16.45763       15.05588 
1 1 1 -9  -45 52 o 18.599  7.5297  30.934     52.776   33.840     91.490   29.485     64.609   22.064  9.4839  19.599  8.1730  2.464666       12.51968 
1 1 1 -9  -45 53 o 17.342  7.5944  3.6948     60.964   131.201    120.743  -39.9326   70.628   29.264  11.541  16.078  7.4782  13.18574       13.75192 
1 1 1 -9  -45 54 o 26.404  8.9656  101.991    68.568   89.078     131.029  106.861    80.465   27.069  11.484  26.939  9.6731  0.1307278      15.01477 
1 1 1 -9  -45 55 o 19.467  7.0716  46.875     43.164   -155.4274  93.352   101.887    48.681   14.883  7.3267  26.777  7.2945  -11.89437      10.33878 
1 1 1 -9  -45 56 o 11.068  5.2939  -48.1088   40.218   -12.4111   87.064   -57.7923   45.345   19.206  8.6953  11.533  5.5437  7.673347       10.31216 
1 1 1 -9  -45 57 o 13.947  6.3140  -16.1213   45.909   68.499     102.010  -37.6129   51.409   24.797  10.299  13.537  6.3243  11.25963       12.08579 
1 1 1 -9  -45 58 o 12.951  6.2272  -69.7200   57.310   -248.6249  167.805  -46.0966   60.977   19.361  9.5849  14.519  6.8163  4.842195       11.76151 
1 1 1 -9  -45 59 o 38.932  8.7687  225.720    80.842   -22.5523   199.010  274.785    88.471   25.747  12.157  43.089  8.7603  -17.34268      14.98459 
1 1 1 -9  -45 60 o 17.317  7.6884  -1.5127    64.538   -133.4288  184.860  16.798     68.872   22.347  10.850  18.950  8.1870  3.396744       13.59253 
1 1 1 -9  -45 61 o 49.330  7.9135  351.615    91.518   432.170    219.926  334.744    100.646  41.787  15.814  46.847  9.1825  -5.059883      18.28646 
1 1 1 -9  -44 1  o 18.184  7.5557  23.366     54.939   94.607     94.606   -12.8830   67.484   26.335  10.266  17.128  7.7138  9.206966       12.84103 
1 1 1 -9  -44 2  o 53.885  5.5638  380.663    71.698   333.779    112.759  412.486    92.897   46.515  10.266  54.846  7.1507  -8.331425      12.51068 
1 1 1 -9  -44 3  o 17.660  7.4273  17.198     54.050   130.946    88.679   -50.0336   68.176   29.490  10.191  15.417  7.2283  14.07317       12.49393 
1 1 1 -9  -44 4  o 38.875  6.7693  205.356    61.532   168.942    96.649   230.176    79.793   32.968  10.625  40.063  8.4731  -7.094604      13.58964 
1 1 1 -9  -44 5  o 72.769  4.7674  674.729    83.711   739.048    127.323  625.756    111.099  74.004  7.1810  68.431  6.7803  5.573051       9.876162 
1 1 1 -9  -44 6  o 15.647  6.7958  0.6936     47.955   15.187     72.805   -10.4129   63.734   19.723  8.4684  17.045  7.5996  2.678099       11.37840 
1 1 1 -9  -44 7  o 21.631  7.5589  59.331     48.855   176.381    70.031   -51.6457   68.190   35.312  8.3115  15.499  7.2545  19.81333       11.03218 
1 1 1 -9  -44 8  o 11.900  5.6682  -51.9647   45.117   -75.3435   62.529   -26.5756   65.163   13.709  6.5685  16.376  7.4563  -2.667107      9.936906 
1 1 1 -9  -44 9  o 45.793  5.9688  273.640    64.744   308.420    93.130   241.108    90.070   47.115  8.4573  41.013  9.2691  6.102211       12.54758 
1 1 1 -9  -44 10 o 46.860  5.6853  284.033    63.319   329.911    92.365   243.356    86.971   49.154  8.0211  41.549  8.8952  7.604370       11.97762 
1 1 1 -9  -44 11 o 40.895  6.0047  218.223    57.810   240.584    87.063   200.589    77.313   41.368  8.9350  37.867  8.6093  3.500546       12.40786 
1 1 1 -9  -44 12 o 39.739  5.9752  205.756    55.832   218.640    81.477   194.350    76.659   39.584  8.7186  37.313  8.6379  2.271790       12.27299 
1 1 1 -9  -44 13 o 58.334  4.9992  430.943    70.075   565.700    104.161  319.521    94.714   65.915  6.6014  48.366  8.3740  17.54925       10.66314 
1 1 1 -9  -44 14 o 49.916  5.6410  319.598    67.124   171.519    93.223   479.027    96.729   34.491  10.329  60.610  6.6888  -26.11822      12.30581 
1 1 1 -9  -44 15 o 17.321  7.2452  13.085     50.998   81.305     71.836   -56.2328   72.412   25.508  9.1418  16.081  7.5102  9.427498       11.83112 
1 1 1 -9  -44 16 o 32.869  7.0625  144.633    54.647   69.155     75.499   227.687    79.197   24.622  9.2781  40.852  8.2734  -16.22944      12.43109 
1 1 1 -9  -44 17 o 33.945  7.0265  153.747    55.966   170.959    78.025   135.507    80.322   34.981  9.1044  31.197  9.6383  3.784315       13.25853 
1 1 1 -9  -44 18 o 25.721  7.8636  88.183     53.625   98.402     74.473   77.179     77.280   27.378  9.3435  25.495  9.4297  1.883091       13.27482 
1 1 1 -9  -44 19 o 55.572  5.1432  390.604    68.566   347.865    95.920   435.261    98.048   50.978  8.0195  57.636  7.1657  -6.657791      10.75452 
1 1 1 -9  -44 20 o 13.368  6.1357  -28.4169   45.308   -29.7098   62.333   -26.9686   65.973   16.039  7.2988  16.711  7.5671  -0.6727314     10.51348 
1 1 1 -9  -44 21 o 25.155  7.9802  83.157     54.688   84.895     72.054   80.796     83.994   26.000  9.1729  26.246  9.8063  -0.2457218     13.42778 
1 1 1 -9  -44 22 o 51.924  7.5617  356.422    92.472   356.422    92.472   0.0000     0.0000   51.924  7.5617  ?       ?       0.000000       7.561677 
1 1 1 -9  -44 23 o 22.563  8.8072  49.198     69.700   49.198     69.700   0.0000     0.0000   22.563  8.8072  ?       ?       0.000000       8.807215 
1 1 1 -9  -44 24 o 62.514  5.7438  497.372    86.151   596.152    184.818  469.951    97.377   63.589  12.424  60.208  6.7839  3.381729       14.15529 
1 1 1 -9  -44 25 o 29.745  6.3217  116.498    44.219   83.320     74.757   134.355    54.842   26.012  9.3254  31.670  7.2881  -5.658003      11.83555 
1 1 1 -9  -44 26 o 49.045  4.7313  302.505    55.606   306.351    89.967   300.128    70.734   47.860  8.0317  48.264  6.1822  -0.4033623     10.13550 
1 1 1 -9  -44 27 o 46.325  6.7676  279.897    73.826   282.744    155.065  279.062    83.951   42.907  13.414  45.731  7.8485  -2.823250      15.54159 
1 1 1 -9  -44 28 o 20.717  7.6337  47.214     50.557   62.285     132.855  44.661     54.671   28.089  11.717  20.814  7.8826  7.275806       14.12184 
1 1 1 -9  -44 29 o 51.939  6.5621  349.362    80.853   477.540    161.223  306.293    93.455   57.096  12.018  47.661  8.3874  9.434345       14.65521 
1 1 1 -9  -44 30 o 18.314  7.2607  27.086     48.023   -1.3073    137.592  31.025     51.246   25.365  11.246  19.085  7.5211  6.280430       13.52890 
1 1 1 -9  -44 31 o 48.032  6.7999  300.915    77.037   245.558    153.868  319.434    88.994   40.201  13.432  49.033  7.7366  -8.831829      15.50049 
1 1 1 -9  -44 32 o 21.756  8.0383  52.667     56.126   0.0000     0.0000   52.667     56.126   ?       ?       21.756  8.0383  0.000000       8.038278 
1 1 1 -9  -44 33 o 15.682  6.6979  3.3614     45.111   0.0000     0.0000   3.3614     45.111   ?       ?       15.682  6.6979  0.000000       6.697860 
1 1 1 -9  -44 34 f 49.848  6.6689  323.343    78.640   0.0000     0.0000   323.343    78.640   ?       ?       49.848  6.6689  0.000000       6.668879 
1 1 1 -9  -44 35 o 43.367  5.5531  240.711    57.090   109.883    96.806   310.472    70.691   29.217  10.594  49.103  6.0619  -19.88580      12.20552 
1 1 1 -9  -44 36 o 24.553  6.8138  80.113     42.026   38.156     60.244   119.885    58.655   20.667  8.1515  29.674  7.9751  -9.007063      11.40393 
1 1 1 -9  -44 37 o 35.789  5.9126  166.383    49.551   214.988    72.771   124.365    67.660   39.936  7.7895  30.056  8.7483  9.880545       11.71361 
1 1 1 -9  -44 38 o 13.289  5.5058  7.4163     29.051   53.460     53.752   -11.5827   34.528   21.583  7.8835  12.509  5.5842  9.074257       9.660898 
1 1 1 -9  -44 39 o 43.785  4.2320  240.507    44.400   297.581    77.518   212.641    54.166   47.548  6.9222  40.625  5.6478  6.923103       8.933893 
1 1 1 -9  -44 40 o 47.468  5.3137  287.625    60.151   321.124    105.261  271.380    73.298   47.887  9.3947  45.359  6.8754  2.527573       11.64182 
1 1 1 -9  -44 41 o 31.518  6.3301  131.603    46.729   105.577    83.883   143.314    56.268   28.143  9.9006  32.533  7.3067  -4.390244      12.30490 
1 1 1 -9  -44 42 o 40.537  5.7641  213.074    55.098   372.276    100.708  145.064    65.823   52.296  8.2067  32.284  8.3427  20.01146       11.70263 
1 1 1 -9  -44 43 o 37.074  4.7374  175.236    41.642   232.811    74.664   149.243    50.169   41.360  7.7240  33.518  6.4021  7.841862       10.03228 
1 1 1 -9  -44 44 o 38.586  4.6818  189.653    42.936   132.325    76.504   216.012    51.876   30.470  9.4053  40.931  5.3514  -10.46158      10.82117 
1 1 1 -9  -44 45 o 16.551  6.2175  28.325     33.853   160.730    67.982   -15.3364   39.038   33.802  8.3401  13.006  5.8611  20.79620       10.19361 
1 1 1 -9  -44 46 o 18.022  6.3018  39.047     33.959   111.838    65.818   12.638     39.644   28.170  8.7284  15.516  6.4304  12.65328       10.84135 
1 1 1 -9  -44 47 o 26.152  6.0261  91.777     37.453   84.355     72.095   94.520     43.832   25.323  9.1483  26.298  6.8138  -0.9750633     11.40700 
1 1 1 -9  -44 48 o 65.114  4.0095  532.428    63.039   587.505    111.075  506.258    76.565   66.189  7.0234  62.860  5.0627  3.328892       8.657953 
1 1 1 -9  -44 49 o 34.207  5.2472  152.763    42.161   85.691     79.837   178.702    49.649   25.564  9.5588  36.806  5.7472  -11.24162      11.15356 
1 1 1 -9  -44 50 o 11.778  5.4444  -24.8696   36.575   -53.1177   83.425   -18.1482   40.694   17.203  8.0432  13.011  5.9118  4.191936       9.982096 
1 1 1 -9  -44 51 o 44.766  5.2315  260.651    55.753   160.348    105.684  299.331    65.629   31.894  11.119  47.660  5.7944  -15.76640      12.53824 
1 1 1 -9  -44 52 o 20.808  7.2315  56.167     44.686   -73.2317   89.033   99.740     51.664   16.964  8.0462  26.521  7.6230  -9.556759      11.08383 
1 1 1 -9  -44 53 o 8.4128  4.2588  -146.8103  43.630   -48.4831   82.088   -185.5245  51.508   17.129  7.9985  8.8654  4.5023  8.263338       9.178630 
1 1 1 -9  -44 54 o 19.860  8.1157  34.846     61.998   42.677     122.702  32.162     71.843   24.624  10.779  20.509  8.5909  4.115253       13.78366 
1 1 1 -9  -44 55 o 17.763  7.5024  17.163     55.530   -43.8246   123.258  32.695     62.201   21.117  9.8409  19.697  8.0981  1.419964       12.74450 
1 1 1 -9  -44 56 o 28.347  7.1658  113.062    49.313   128.526    108.206  109.008    55.401   29.184  11.081  27.546  7.8870  1.637896       13.60102 
1 1 1 -9  -44 57 o 35.426  6.5329  171.127    54.087   108.508    114.588  189.077    61.351   27.980  11.177  36.927  7.1052  -8.946455      13.24379 
1 1 1 -9  -44 58 o 47.680  5.3627  297.152    60.965   369.004    121.553  273.002    70.470   48.623  10.602  44.826  6.6833  3.796436       12.53261 
1 1 1 -9  -44 59 o 26.238  9.8446  96.359     84.826   0.0000     0.0000   96.359     84.826   ?       ?       26.238  9.8446  0.000000       9.844618 
1 1 1 -9  -44 60 o 29.823  9.3505  135.278    75.283   -79.2976   180.427  180.509    82.838   23.641  11.281  34.195  9.5937  -10.55378      14.80897 
1 1 1 -9  -44 61 f 28.845  9.4584  127.631    76.422   24.564     202.964  144.658    82.494   27.059  12.616  30.382  9.8184  -3.322800      15.98641 
1 1 1 -9  -44 62 o 15.977  7.3217  -23.2438   64.166   -137.2972  177.549  -6.1091    68.818   21.736  10.572  17.470  7.8351  4.265877       13.15895 
1 1 1 -9  -43 1  o 34.183  7.3825  162.684    59.440   119.744    94.321   190.971    76.555   28.719  10.450  36.202  8.8008  -7.483435      13.66234 
1 1 1 -9  -43 2  o 20.761  7.8426  49.376     54.029   136.020    85.872   -7.3984    69.512   30.282  10.031  17.901  7.9620  12.38086       12.80666 
1 1 1 -9  -43 3  o 49.455  5.7072  318.668    67.229   421.778    106.845  251.091    86.498   55.089  8.2469  41.927  8.7837  13.16201       12.04844 
1 1 1 -9  -43 4  o 63.944  4.9135  520.732    75.653   627.055    114.493  438.336    100.791  68.626  6.9727  56.913  7.4798  11.71288       10.22579 
1 1 1 -9  -43 5  o 21.105  7.7427  52.490     51.930   120.863    77.626   -2.8948    69.866   29.176  9.5310  18.374  8.0860  10.80203       12.49891 
1 1 1 -9  -43 6  o 23.370  7.8117  71.522     52.045   76.277     78.341   67.765     69.632   25.091  9.4517  23.848  8.9251  1.243221       12.99969 
1 1 1 -9  -43 7  o 30.487  7.3226  126.780    53.489   173.162    78.087   85.778     73.418   34.878  9.1229  25.806  9.2427  9.071449       12.98665 
1 1 1 -9  -43 8  o 30.007  7.5076  122.947    54.528   165.178    77.524   81.599     76.710   34.136  9.1662  25.641  9.4099  8.494831       13.13644 
1 1 1 -9  -43 9  o 28.104  7.4681  107.330    51.795   111.704    71.930   102.619    74.645   28.536  9.1627  27.646  9.3547  0.8895092      13.09445 
1 1 1 -9  -43 10 o 17.939  7.2638  22.657     49.123   30.325     70.244   15.318     68.722   20.952  8.6090  19.679  8.3307  1.273588       11.97977 
1 1 1 -9  -43 11 f 73.523  4.5124  676.412    80.111   651.371    117.772  697.977    109.292  70.696  6.9558  73.737  6.1651  -3.041283      9.294703 
1 1 1 -9  -43 12 o 31.779  7.1634  135.387    53.915   171.767    78.335   102.644    74.318   35.091  9.1175  27.802  9.3345  7.288116       13.04842 
1 1 1 -9  -43 13 f 74.537  4.5403  694.362    81.722   592.966    117.368  789.784    113.857  67.312  7.3032  78.666  6.0105  -11.35387      9.458502 
1 1 1 -9  -43 14 o 31.182  7.5479  131.043    56.494   85.196     78.720   179.733    81.124   26.370  9.5543  35.930  9.2501  -9.559910      13.29847 
1 1 1 -9  -43 15 o 47.510  5.6037  287.928    63.356   255.380    86.957   324.757    92.498   43.350  8.5708  49.333  8.0015  -5.982658      11.72529 
1 1 1 -9  -43 16 o 34.808  6.7909  159.786    55.296   119.748    76.678   203.167    79.816   29.731  9.4512  38.510  8.7417  -8.779308      12.87416 
1 1 1 -9  -43 17 o 15.704  6.7624  0.3532     46.675   2.1970     64.238   -1.7090    67.935   18.349  7.9171  18.559  8.0745  -0.2101517     11.30833 
1 1 1 -9  -43 18 o 47.257  5.5170  284.064    62.070   213.271    86.794   358.171    88.802   39.287  9.2569  52.362  7.1783  -13.07544      11.71402 
1 1 1 -9  -43 19 o 52.037  5.2450  342.194    65.322   316.539    91.365   369.022    93.429   48.786  7.9954  53.028  7.4682  -4.242176      10.94078 
1 1 1 -9  -43 20 o 23.506  7.9009  69.269     53.244   32.264     70.132   119.620    81.806   21.289  8.6579  29.875  9.7854  -8.585379      13.06570 
1 1 1 -9  -43 21 o 24.661  8.9693  71.252     69.471   71.252     69.471   0.0000     0.0000   24.661  8.9693  ?       ?       0.000000       8.969337 
1 1 1 -9  -43 22 o 25.394  9.0150  78.545     69.700   78.545     69.700   0.0000     0.0000   25.394  9.0150  ?       ?       0.000000       9.015028 
1 1 1 -9  -43 23 o 47.989  5.1340  290.761    58.854   321.976    84.037   260.715    82.449   49.652  7.1842  44.232  7.9755  5.420044       10.73415 
1 1 1 -9  -43 24 o 48.299  4.7336  292.785    54.762   345.485    88.186   259.708    69.864   51.425  7.2701  44.749  6.6355  6.676071       9.843003 
1 1 1 -9  -43 25 o 18.820  6.6350  40.663     37.693   60.131     65.878   31.188     45.959   23.362  8.6933  18.552  7.1765  4.809734       11.27277 
1 1 1 -9  -43 26 o 25.341  6.7831  84.820     42.534   101.395    72.608   76.161     52.481   27.848  9.2236  24.332  7.8279  3.515768       12.09758 
1 1 1 -9  -43 27 o 17.290  6.6131  27.815     38.719   88.572     65.895   -4.2250    47.852   26.268  8.7898  15.551  6.7711  10.71747       11.09543 
1 1 1 -9  -43 28 o 49.334  4.6600  305.026    55.122   311.172    89.335   301.247    70.045   48.481  7.8637  48.491  6.0874  -0.9830475E-02 9.944549 
1 1 1 -9  -43 29 o 38.129  7.7441  194.044    69.201   235.834    151.056  182.944    77.851   39.957  13.307  36.565  8.8663  3.391308       15.99038 
1 1 1 -9  -43 30 o 26.869  8.2009  95.678     58.356   69.431     140.250  101.173    64.174   29.146  12.088  27.613  8.6291  1.532888       14.85214 
1 1 1 -9  -43 31 o 34.336  8.4670  160.333    70.098   0.0000     0.0000   160.333    70.098   ?       ?       34.336  8.4670  0.000000       8.466992 
1 1 1 -9  -43 32 o 24.496  8.2982  75.388     58.737   0.0000     0.0000   75.388     58.737   ?       ?       24.496  8.2982  0.000000       8.298191 
1 1 1 -9  -43 33 o 51.791  7.6276  353.083    92.984   0.0000     0.0000   353.083    92.984   ?       ?       51.791  7.6276  0.000000       7.627623 
1 1 1 -9  -43 34 o 48.195  6.8336  301.970    77.675   505.716    152.915  231.118    90.175   59.928  10.918  40.942  9.2902  18.98566       14.33601 
1 1 1 -9  -43 35 o 19.629  6.5007  47.418     36.067   61.572     55.062   36.783     47.732   22.707  8.0179  19.335  7.3551  3.372576       10.88044 
1 1 1 -9  -43 36 o 36.066  5.6259  167.186    47.626   145.649    67.799   188.166    66.916   32.668  8.4793  37.531  7.6085  -4.862759      11.39249 
1 1 1 -9  -43 37 o 39.893  3.9899  198.651    38.104   115.697    70.939   232.290    45.174   29.243  9.0617  43.049  4.3859  -13.80588      10.06729 
1 1 1 -9  -43 38 o 30.643  5.2526  120.768    37.649   234.581    68.878   72.275     44.959   42.266  6.9583  23.524  7.2016  18.74217       10.01404 
1 1 1 -9  -43 39 o 69.938  3.7487  605.600    63.383   672.737    104.338  566.335    79.793   72.632  5.9734  67.133  4.9331  5.498573       7.747029 
1 1 1 -9  -43 40 o 22.609  6.1300  67.220     34.474   82.639     65.669   61.354     40.504   25.473  8.7714  21.825  6.8612  3.647940       11.13608 
1 1 1 -9  -43 41 o 73.161  4.8892  672.758    86.293   713.937    141.537  648.395    108.867  73.247  8.0993  70.958  6.3918  2.289009       10.31760 
1 1 1 -9  -43 42 o 31.168  6.4473  128.555    47.150   102.212    85.163   140.198    56.619   28.044  9.9640  32.230  7.3968  -4.185139      12.40945 
1 1 1 -9  -43 43 o 19.502  6.8225  45.311     39.805   4.5202     77.020   60.176     46.495   19.884  8.6241  21.872  7.3831  -1.987951      11.35274 
1 1 1 -9  -43 44 o 25.871  6.9527  90.051     44.581   169.436    84.038   58.963     52.591   34.438  9.6634  22.047  7.8304  12.39145       12.43765 
1 1 1 -9  -43 45 o 26.567  5.8317  93.280     36.562   150.117    70.121   72.058     42.848   32.710  8.6882  23.279  7.0099  9.430647       11.16345 
1 1 1 -9  -43 46 o 17.231  6.1942  33.690     33.004   25.672     64.734   36.506     38.364   19.875  8.2253  18.143  6.6552  1.731329       10.58047 
1 1 1 -9  -43 47 o 23.096  6.3027  71.380     36.305   -10.2023   74.518   96.770     41.572   18.529  8.2424  26.812  6.4654  -8.282858      10.47562 
1 1 1 -9  -43 48 o 64.457  4.0063  520.191    62.348   523.436    108.712  518.601    76.109   62.492  7.3075  63.841  4.9521  -1.348980      8.827363 
1 1 1 -9  -43 49 o 50.094  4.3603  317.264    52.470   358.683    93.580   298.272    63.369   51.196  7.7779  47.973  5.5462  3.223667       9.552843 
1 1 1 -9  -43 50 o 15.810  6.1460  23.023     33.836   -27.3340   69.877   38.445     38.672   16.883  7.7003  18.299  6.6864  -1.415829      10.19813 
1 1 1 -9  -43 51 o 23.891  7.2669  78.192     45.878   9.9448     92.922   100.191    52.756   21.264  9.3421  26.744  7.7079  -5.480459      12.11142 
1 1 1 -9  -43 52 o 26.120  7.2502  95.003     47.575   12.981     96.326   121.466    54.714   21.634  9.5081  29.358  7.6158  -7.724287      12.18218 
1 1 1 -9  -43 53 o 13.233  5.9648  -14.3375   40.458   -62.9971   89.107   -1.7015    45.408   17.421  8.1983  15.005  6.5629  2.416532       10.50159 
1 1 1 -9  -43 54 o 23.575  8.6923  72.187     65.565   33.283     126.776  86.391     76.605   24.623  10.861  25.321  9.3839  -0.6988487     14.35372 
1 1 1 -9  -43 55 o 20.055  8.1028  37.316     60.983   185.411    128.693  -5.5678    69.252   33.446  12.201  17.851  7.9432  15.59491       14.55892 
1 1 1 -9  -43 56 o 35.078  8.9456  181.962    76.377   192.518    144.521  177.871    89.967   33.738  12.807  33.883  10.147  -0.1449165     16.33964 
1 1 1 -9  -43 57 o 47.981  5.4601  300.808    62.436   185.790    125.308  338.792    72.011   33.551  12.069  50.603  5.9805  -17.05169      13.46924 
1 1 1 -9  -43 58 o 38.600  6.2754  200.070    56.755   354.079    119.473  155.186    64.498   47.891  10.565  32.869  8.1317  15.02184       13.33199 
1 1 1 -9  -43 59 o 16.848  7.0148  16.942     47.493   -178.5237  103.008  69.713     53.522   15.482  7.6360  22.838  7.9155  -7.355823      10.99840 
1 1 1 -9  -43 60 o 19.324  8.2603  18.703     68.718   -2.1294    190.370  21.824     73.687   26.503  12.310  20.014  8.5543  6.489286       14.99074 
1 1 1 -9  -43 61 o 27.260  9.4287  109.202    75.921   222.693    191.925  88.148     82.664   34.551  14.217  25.485  9.6830  9.066395       17.20158 
1 1 1 -9  -43 62 f 17.016  7.6886  -14.1412   67.689   199.885    183.182  -47.9864   72.845   33.062  13.772  15.964  7.4805  17.09834       15.67268 
1 1 1 -9  -42 1  o 13.049  6.0745  -35.7001   46.771   -65.7913   74.708   -16.3041   59.980   15.775  7.4488  16.244  7.2979  -0.4685469     10.42805 
1 1 1 -9  -42 2  o 51.481  5.5696  342.168    68.462   419.544    107.291  289.025    88.917   55.219  8.2617  45.631  8.3380  9.587376       11.73789 
1 1 1 -9  -42 3  o 91.423  4.4633  1047.57    99.009   1122.47    149.131  988.540    132.398  92.629  6.6801  87.258  6.2956  5.370422       9.179244 
1 1 1 -9  -42 4  o 67.315  4.7773  572.080    77.523   674.877    118.432  495.014    102.544  71.685  6.8939  61.226  7.0301  10.45952       9.846205 
1 1 1 -9  -42 5  o 68.683  4.7177  593.932    78.145   640.473    118.695  558.326    103.819  69.776  7.1100  65.443  6.6296  4.333511       9.721337 
1 1 1 -9  -42 6  o 59.576  4.9279  448.263    70.596   517.443    106.597  394.214    94.221   62.752  7.1273  54.592  7.2955  8.159615       10.19914 
1 1 1 -9  -42 7  o 37.795  6.2779  186.661    55.551   257.525    81.963   126.450    75.551   43.654  8.0340  30.237  9.3487  13.41693       12.32653 
1 1 1 -9  -42 8  o 62.059  4.8373  484.248    72.265   537.859    105.183  436.318    99.454   64.335  6.8431  57.639  7.2730  6.695698       9.986253 
1 1 1 -9  -42 9  o 22.726  7.6607  64.761     50.057   31.803     70.712   97.868     70.871   21.228  8.6701  27.280  9.1157  -6.051752      12.58045 
1 1 1 -9  -42 10 o 17.759  7.1036  23.537     46.363   -3.9819    68.395   46.934     63.063   18.453  8.0632  21.807  8.4146  -3.353811      11.65421 
1 1 1 -9  -42 11 o 49.009  5.2352  304.017    61.291   325.245    89.736   285.453    83.914   49.580  7.7098  46.381  7.7283  3.198246       10.91641 
1 1 1 -9  -42 12 o 45.957  5.3542  268.012    58.586   230.948    84.848   301.783    80.992   41.173  8.7621  48.019  7.1710  -6.845947      11.32244 
1 1 1 -9  -42 13 o 49.981  5.1844  315.431    61.959   392.843    88.523   241.087    86.750   55.130  6.7592  42.115  8.7740  13.01532       11.07566 
1 1 1 -9  -42 14 o 52.735  5.1379  350.407    64.907   301.054    91.207   401.047    92.390   47.507  8.2092  55.613  7.0019  -8.105949      10.78971 
1 1 1 -9  -42 15 o 14.206  6.3592  -16.1798   45.110   -59.4137   62.171   31.885     65.553   14.573  6.8549  20.823  8.4052  -6.249413      10.84603 
1 1 1 -9  -42 16 o 9.9625  4.9041  -85.4797   41.801   -70.3996   59.236   -100.4377  58.996   13.627  6.4917  12.424  6.0544  1.202315       8.876813 
1 1 1 -9  -42 17 o 52.043  5.1536  341.077    64.224   308.591    89.908   374.925    91.773   48.296  7.9489  53.689  7.2285  -5.393139      10.74414 
1 1 1 -9  -42 18 o 101.351 4.3019  1271.05    105.792  1272.60    150.000  1269.51    149.227  100.197 6.2003  100.092 6.1746  0.1042252      8.750392 
1 1 1 -9  -42 19 o 32.217  9.1497  141.330    74.871   141.330    74.871   0.0000     0.0000   32.217  9.1497  ?       ?       0.000000       9.149658 
1 1 1 -9  -42 20 o 22.493  8.6837  48.890     67.189   48.890     67.189   0.0000     0.0000   22.493  8.6837  ?       ?       0.000000       8.683741 
1 1 1 -9  -42 21 o 54.432  6.0439  377.198    78.475   351.596    91.522   448.286    152.508  51.895  7.4847  56.247  11.561  -4.352192      13.77222 
1 1 1 -9  -42 22 o 67.832  4.4856  572.232    73.411   522.161    104.973  620.160    102.701  63.729  6.8986  69.913  6.1157  -6.183521      9.219172 
1 1 1 -9  -42 23 o 35.769  5.5690  163.590    46.761   197.599    77.071   143.779    58.825   38.290  8.5157  32.875  7.5357  5.415462       11.37115 
1 1 1 -9  -42 24 o 28.415  6.2793  105.603    42.141   3.5428     71.719   159.420    52.079   19.491  8.3876  35.046  6.3585  -15.55574      10.52535 
1 1 1 -9  -42 25 o 49.353  4.6428  304.517    54.944   346.575    87.740   277.385    70.472   51.678  7.1922  46.460  6.4231  5.218292       9.642831 
1 1 1 -9  -42 26 o 50.623  4.5866  320.041    55.727   407.332    88.336   262.337    71.821   56.373  6.5820  45.020  6.7855  11.35311       9.453322 
1 1 1 -9  -42 27 f 22.250  6.8135  63.461     40.241   75.138     71.997   58.156     48.528   25.316  9.1426  21.972  7.5417  3.343817       11.85178 
1 1 1 -9  -42 28 o 33.543  5.6655  144.485    44.469   159.895    73.626   135.634    55.796   34.323  8.7992  31.973  7.3464  2.350193       11.46278 
1 1 1 -9  -42 29 o 63.889  4.2758  506.695    65.902   507.321    102.797  506.258    85.869   62.841  6.8529  63.336  5.6469  -0.4950562     8.879716 
1 1 1 -9  -42 30 o 36.297  7.1599  173.387    60.818   0.0000     0.0000   173.387    60.818   ?       ?       36.297  7.1599  0.000000       7.159860 
1 1 1 -9  -42 31 o 19.658  7.6790  33.652     53.017   0.0000     0.0000   33.652     53.017   ?       ?       19.658  7.6790  0.000000       7.679041 
1 1 1 -9  -42 32 o 27.550  8.5365  100.096    62.955   0.0000     0.0000   100.096    62.955   ?       ?       27.550  8.5365  0.000000       8.536499 
1 1 1 -9  -42 33 o 95.486  5.8369  1149.92    134.585  1435.80    225.808  992.424    167.608  104.083 9.0307  87.231  8.0082  16.85239       12.06999 
1 1 1 -9  -42 34 o 44.596  6.2578  255.587    65.850   351.314    110.796  203.304    81.882   50.898  9.3145  38.647  8.9137  12.25130       12.89242 
1 1 1 -9  -42 35 o 11.278  5.3312  -42.2101   38.474   97.648     74.269   -93.5091   44.980   27.584  9.3311  10.272  5.0623  17.31259       10.61582 
1 1 1 -9  -42 36 o 18.258  6.4610  37.755     35.773   85.739     51.726   -6.2365    49.528   25.556  7.7034  15.683  6.8571  9.872195       10.31325 
1 1 1 -9  -42 37 o 52.083  3.9315  336.516    49.318   442.569    83.357   279.397    61.175   59.014  5.9004  46.933  5.4748  12.08092       8.049155 
1 1 1 -9  -42 38 o 45.291  4.0639  255.389    44.185   293.009    75.961   236.150    54.321   47.533  6.7781  43.152  5.2994  4.380665       8.603866 
1 1 1 -9  -42 39 o 39.463  4.4502  195.480    41.868   263.374    72.386   161.346    51.325   44.974  6.8496  35.237  6.2310  9.737583       9.259689 
1 1 1 -9  -42 40 o 30.865  5.3119  122.417    38.346   208.025    70.447   86.372     45.712   39.532  7.6205  25.532  7.1138  13.99987       10.42489 
1 1 1 -9  -42 41 o 17.073  6.0697  32.680     31.607   1.5031     59.911   44.704     37.206   17.729  7.6476  19.312  6.6041  -1.583900      10.10448 
1 1 1 -9  -42 42 o 29.234  6.6273  113.210    45.925   104.170    83.185   117.173    55.080   28.342  9.8657  29.488  7.6372  -1.146372      12.47629 
1 1 1 -9  -42 43 f 57.978  5.0636  424.017    70.519   457.342    120.147  406.504    87.100   58.137  8.7917  56.066  6.5246  2.071659       10.94825 
1 1 1 -9  -42 44 o 35.587  6.1832  165.352    51.454   120.554    93.810   184.628    61.536   29.999  10.475  37.285  7.0604  -7.286289      12.63214 
1 1 1 -9  -42 45 o 51.230  5.3543  334.174    65.573   294.766    115.571  352.884    79.632   45.087  10.721  52.135  6.4313  -7.047592      12.50202 
1 1 1 -9  -42 46 o 67.092  3.9176  560.040    63.499   572.197    108.791  553.759    78.201   66.158  6.8777  66.253  4.8994  -0.9498596E-01 8.444345 
1 1 1 -9  -42 47 o 63.208  3.9297  497.869    59.971   560.870    104.077  466.553    73.378   65.563  6.6336  60.670  5.0299  4.892902       8.324891 
1 1 1 -9  -42 48 o 82.655  3.8594  848.576    77.401   927.247    129.110  804.439    96.706   84.558  6.3389  79.696  5.0267  4.861710       8.090069 
1 1 1 -9  -42 49 o 43.100  4.6058  235.716    47.421   260.161    87.327   225.493    56.474   43.132  8.6452  41.653  5.7401  1.478882       10.37731 
1 1 1 -9  -42 50 o 11.126  5.0854  -17.9139   30.683   -66.5790   66.249   -4.6244    34.620   14.624  6.9374  13.045  5.7175  1.578906       8.989812 
1 1 1 -9  -42 51 o 52.695  4.3153  350.501    54.692   342.453    99.528   353.983    65.460   49.410  8.6150  52.502  5.2072  -3.092098      10.06642 
1 1 1 -9  -42 52 o 22.279  7.4206  65.468     46.972   119.129    96.016   48.585     53.857   28.983  10.544  20.723  7.8297  8.259638       13.13319 
1 1 1 -9  -42 53 o 17.824  6.9951  30.000     44.154   34.570     93.019   28.670     50.166   22.688  9.6521  18.347  7.3714  4.341169       12.14496 
1 1 1 -9  -42 54 o 51.103  5.1589  337.078    63.093   363.793    121.631  327.243    73.798   48.831  10.572  49.661  6.2637  -0.8298149     12.28826 
1 1 1 -9  -42 55 o 17.909  7.5257  17.589     55.416   -55.0586   122.556  36.260     62.130   20.936  9.7753  20.148  8.1652  0.7879601      12.73687 
1 1 1 -9  -42 56 o 31.062  9.1012  142.379    73.013   100.539    140.997  157.710    85.348   28.693  12.028  32.243  9.9309  -3.549749      15.59788 
1 1 1 -9  -42 57 o 39.099  6.5150  206.063    59.632   178.833    147.438  211.388    65.203   33.189  12.850  39.254  7.1075  -6.064777      14.68424 
1 1 1 -9  -42 58 o 30.002  7.3249  125.719    52.859   44.676     110.318  149.870    60.222   24.347  10.438  32.596  7.7311  -8.249653      12.98942 
1 1 1 -9  -42 59 o 25.802  7.7194  93.244     52.084   177.263    115.151  71.634     58.399   33.350  11.608  23.320  8.2548  10.02992       14.24351 
1 1 1 -9  -42 60 o 43.060  8.6131  266.195    86.847   270.771    205.528  265.201    95.822   37.619  14.987  42.207  9.5763  -4.587460      17.78514 
1 1 1 -9  -42 61 o 22.115  8.8450  51.596     71.870   57.827     184.709  50.485     78.018   28.320  12.757  22.454  9.1316  5.865742       15.68867 
1 1 1 -9  -42 62 o 27.249  9.7353  107.976    81.405   353.182    195.748  56.701     89.512   41.445  15.059  23.511  9.6961  17.93433       17.91021 
1 1 1 -9  -42 63 o 22.030  9.0667  48.256     78.070   -36.4294   195.743  64.276     85.134   25.386  12.008  23.611  9.5618  1.774956       15.35011 
1 1 1 -9  -41 1  o 75.223  4.7231  713.167    85.770   786.738    130.684  657.496    113.680  77.309  7.0441  70.907  6.6863  6.401947       9.712149 
1 1 1 -9  -41 2  o 99.174  4.4571  1228.77    107.255  1256.29    160.604  1206.62    144.097  98.248  6.7785  96.847  6.1641  1.401299       9.162127 
1 1 1 -9  -41 3  o 42.125  6.0320  230.182    59.895   256.996    93.529   211.541    77.983   42.847  9.2660  39.209  8.4464  3.637856       12.53792 
1 1 1 -9  -41 4  o 39.863  6.1990  206.723    58.011   206.389    88.741   206.972    76.658   38.253  9.5814  38.895  8.3707  -0.6426315     12.72288 
1 1 1 -9  -41 5  o 16.539  6.8745  12.350     45.500   12.265     70.121   12.412     59.797   19.713  8.3833  18.480  7.7942  1.233397       11.44679 
1 1 1 -9  -41 6  o 21.386  7.5897  53.784     49.398   92.673     75.459   24.620     65.347   26.962  9.3957  20.124  8.2902  6.838097       12.53024 
1 1 1 -9  -41 7  o 14.635  6.4018  -5.8545    43.214   35.011     63.658   -40.7817   58.852   20.831  8.3269  14.951  6.9095  5.879508       10.82026 
1 1 1 -9  -41 8  o 33.368  6.8020  146.755    53.203   98.312     74.138   198.189    76.394   27.563  9.3229  38.230  8.4595  -10.66636      12.58882 
1 1 1 -9  -41 9  o 26.133  7.3011  90.506     48.083   87.764     68.042   93.241     67.956   26.282  8.9312  26.857  8.9246  -0.5750294     12.62592 
1 1 1 -9  -41 10 o 39.525  5.8080  200.178    54.039   222.462    79.325   180.881    73.818   40.691  8.3151  36.546  8.4871  4.145042       11.88151 
1 1 1 -9  -41 11 o 16.331  6.6867  14.430     42.191   62.104     60.047   -32.0527   59.293   23.185  8.3529  15.546  7.0915  7.639066       10.95723 
1 1 1 -9  -41 12 o 37.236  6.3197  179.501    55.057   96.176     77.583   264.041    78.146   27.598  9.5321  44.867  7.4387  -17.26889      12.09116 
1 1 1 -9  -41 13 o 67.222  4.5780  562.578    74.227   570.112    107.717  555.765    102.428  66.698  6.7488  65.982  6.4814  0.7160416      9.357076 
1 1 1 -9  -41 14 o 48.891  5.3041  301.517    61.914   281.680    86.016   322.845    89.190   46.173  7.9655  49.647  7.6495  -3.474510      11.04373 
1 1 1 -9  -41 15 o 79.526  4.4123  784.618    84.806   731.236    119.870  838.115    119.999  75.745  6.5877  81.386  6.1214  -5.641075      8.992780 
1 1 1 -9  -41 16 f 28.504  7.3985  107.707    51.616   116.261    71.589   98.446     74.490   29.564  9.0935  27.771  9.3452  1.793461       13.03939 
1 1 1 -9  -41 17 o 39.111  6.1327  196.467    56.285   179.049    78.408   214.984    80.845   36.343  8.9506  40.019  8.5832  -3.675728      12.40103 
1 1 1 -9  -41 18 o 49.828  7.4475  323.043    87.281   323.043    87.281   0.0000     0.0000   49.828  7.4475  ?       ?       0.000000       7.447550 
1 1 1 -9  -41 19 o 77.909  6.1992  767.568    116.219  767.568    116.219  0.0000     0.0000   77.909  6.1992  ?       ?       0.000000       6.199176 
1 1 1 -9  -41 20 o 68.842  5.4515  594.386    90.317   569.034    106.757  658.213    169.392  66.810  6.6748  69.722  10.325  -2.911331      12.29472 
1 1 1 -9  -41 21 o 29.987  6.7214  117.808    47.696   97.908     71.844   133.490    63.779   27.689  9.1751  31.607  8.2338  -3.918331      12.32798 
1 1 1 -9  -41 22 o 53.940  4.4549  361.750    57.784   428.059    90.528   316.158    75.065   57.938  6.5548  49.771  6.3613  8.166920       9.134103 
1 1 1 -9  -41 23 o 91.757  4.0251  1036.60    89.616   1132.09    133.634  958.570    120.806  94.970  5.8273  87.414  5.7273  7.556877       8.170687 
1 1 1 -9  -41 24 o 116.749 4.1170  1679.21    116.626  1792.31    170.833  1580.49    159.607  119.670 5.8833  112.241 5.8810  7.429825       8.318629 
1 1 1 -9  -41 25 o 23.092  6.8623  68.639     41.264   87.679     70.939   58.903     50.729   26.618  9.1190  22.286  7.7073  4.331842       11.93974 
1 1 1 -9  -41 26 o 119.139 4.1196  1748.65    119.089  1829.98    173.141  1675.63    164.061  120.913 5.9015  115.588 5.8689  5.325165       8.322946 
1 1 1 -9  -41 27 o 86.140  4.0013  913.384    83.632   970.814    124.772  866.535    112.694  87.896  5.8843  83.149  5.6187  4.746933       8.136019 
1 1 1 -9  -41 28 o 53.766  4.4033  359.194    56.940   381.880    88.127   342.935    74.604   54.592  6.8003  51.995  6.0250  2.596741       9.085445 
1 1 1 -9  -41 29 o 29.317  7.4336  113.663    52.955   0.0000     0.0000   113.663    52.955   ?       ?       29.317  7.4336  0.000000       7.433644 
1 1 1 -9  -41 30 o 64.460  5.5439  522.005    85.866   0.0000     0.0000   522.005    85.866   ?       ?       64.460  5.5439  0.000000       5.543884 
1 1 1 -9  -41 31 o 70.502  5.4803  623.473    93.012   0.0000     0.0000   623.473    93.012   ?       ?       70.502  5.4803  0.000000       5.480259 
1 1 1 -9  -41 32 o 54.333  5.3001  370.916    68.984   517.019    159.941  337.526    76.461   61.065  11.208  51.461  6.2519  9.603531       12.83342 
1 1 1 -9  -41 33 o 42.474  6.4867  232.258    64.732   268.529    106.221  210.831    81.644   44.156  10.129  39.580  8.7352  4.575970       13.37576 
1 1 1 -9  -41 34 f 17.399  6.9619  21.286     44.547   33.429     85.817   16.807     52.118   23.097  9.5059  18.004  7.4087  5.093204       12.05202 
1 1 1 -9  -41 35 o 72.913  5.5190  667.861    96.917   551.740    153.866  744.230    124.781  63.598  10.325  76.327  6.8091  -12.72893      12.36811 
1 1 1 -9  -41 36 o 43.829  6.3241  246.706    65.309   234.162    109.175  253.696    81.499   40.840  10.838  43.793  7.9631  -2.952950      13.44870 
1 1 1 -9  -41 37 o 56.819  5.7413  408.455    78.067   514.914    127.586  344.744    98.701   62.355  8.6671  51.056  8.2485  11.29934       11.96478 
1 1 1 -9  -41 38 o 32.034  4.7637  129.962    35.900   134.469    63.714   127.865    43.455   31.626  8.2252  31.438  5.9137  0.1884289      10.13045 
1 1 1 -9  -41 39 f 14.405  5.6952  15.279     29.473   -30.8007   55.240   33.616     34.847   14.989  6.8404  17.605  6.3601  -2.616477      9.340349 
1 1 1 -9  -41 40 o 33.508  4.9366  142.480    38.934   228.923    69.819   103.469    46.903   41.826  7.1356  27.965  6.9442  13.86179       9.956789 
1 1 1 -9  -41 41 o 27.098  5.6283  95.296     35.797   140.785    65.008   75.500     42.884   32.285  8.2636  24.020  6.9570  8.264971       10.80219 
1 1 1 -9  -41 42 o 31.019  6.8536  127.156    50.208   65.420     102.544  146.623    57.582   26.491  10.576  33.196  7.3436  -6.704844      12.87533 
1 1 1 -9  -41 43 o 10.820  5.0584  -30.4448   32.979   11.035     66.671   -43.8821   37.947   19.308  8.1913  11.064  5.2493  8.243632       9.728943 
1 1 1 -9  -41 44 o 20.695  7.2105  50.944     44.439   36.387     86.488   56.166     51.800   23.134  9.5346  21.861  7.7706  1.272753       12.30005 
1 1 1 -9  -41 45 o 17.157  6.6521  26.131     39.557   -28.4086   78.681   44.580     45.761   18.341  8.2882  19.997  7.2786  -1.656109      11.03048 
1 1 1 -9  -41 46 o 44.741  5.6592  256.422    60.063   342.661    109.220  219.035    71.913   49.784  9.3859  40.461  7.6042  9.323101       12.07966 
1 1 1 -9  -41 47 f 40.263  4.7858  205.394    45.838   204.553    81.992   205.776    55.285   38.341  8.9725  39.881  5.8905  -1.540447      10.73330 
1 1 1 -9  -41 48 o 93.538  3.9266  1085.10    89.119   1013.41    145.761  1127.90    112.621  88.234  6.8623  94.666  4.9199  -6.432365      8.443766 
1 1 1 -9  -41 49 o 69.893  3.9703  608.644    67.054   664.324    114.596  579.656    82.687   71.358  6.6969  67.644  5.0748  3.714432       8.402497 
1 1 1 -9  -41 50 o 40.678  4.7879  210.603    46.352   257.252    89.113   193.301    54.271   42.854  8.8626  38.441  6.0158  4.413254       10.71146 
1 1 1 -9  -41 51 o 36.942  5.2659  176.199    45.865   166.744    86.350   179.914    54.132   33.803  9.8956  36.894  6.2713  -3.091125      11.71550 
1 1 1 -9  -41 52 o 29.704  5.9722  117.185    41.551   203.224    82.933   88.349     48.012   37.578  9.1753  25.424  7.3606  12.15435       11.76283 
1 1 1 -9  -41 53 o 50.865  5.1218  331.921    62.353   312.916    114.827  339.868    74.254   45.608  10.581  50.894  6.1368  -5.285675      12.23185 
1 1 1 -9  -41 54 o 52.988  5.0151  359.861    63.712   522.533    123.367  300.694    74.402   61.109  8.5546  47.463  6.6424  13.64627       10.83063 
1 1 1 -9  -41 55 o 30.404  6.9648  127.021    50.278   166.299    104.232  115.110    57.397   32.846  11.055  28.546  7.9776  4.299843       13.63251 
1 1 1 -9  -41 56 o 38.131  8.6006  208.576    77.679   -0.0024    145.225  292.167    91.936   24.687  11.198  45.264  8.6868  -20.57677      14.17244 
1 1 1 -9  -41 57 o 13.918  6.5071  -42.2648   54.589   183.256    123.872  -96.6180   60.813   33.847  12.018  12.599  6.1413  21.24792       13.49620 
1 1 1 -9  -41 58 o 42.107  5.9248  233.774    58.860   334.995    121.747  202.899    67.240   46.528  10.964  38.289  7.5058  8.238976       13.28692 
1 1 1 -9  -41 59 o 52.727  5.2201  358.473    65.908   464.480    132.535  323.646    75.967   55.997  10.127  49.291  6.5111  6.705784       12.03978 
1 1 1 -9  -41 60 o 62.829  4.9530  505.126    74.895   473.090    143.471  517.126    87.810   55.564  11.031  62.972  5.8125  -7.407383      12.46838 
1 1 1 -9  -41 61 o 18.946  8.1736  11.459     68.446   -209.1082  163.723  58.172     75.346   20.239  9.9101  23.012  9.1035  -2.773466      13.45679 
1 1 1 -9  -41 62 o 23.636  9.0992  67.991     73.611   -9.3041    173.599  84.935     81.280   25.739  11.885  25.427  9.6158  0.3120747      15.28774 
1 1 1 -9  -41 63 o 26.818  9.5039  103.460    77.431   51.293     202.600  112.383    83.792   28.514  13.046  27.708  9.8793  0.8055286      16.36463 
1 1 1 -9  -40 1  o 17.354  7.1468  16.883     48.547   -0.8276    76.584   28.782     62.771   19.561  8.5404  20.098  8.1842  -0.5367985     11.82875 
1 1 1 -9  -40 2  o 14.237  6.3911  -16.9642   45.904   58.678     71.623   -69.6945   59.800   23.531  8.9957  13.690  6.5221  9.840959       11.11127 
1 1 1 -9  -40 3  o 42.420  6.0031  231.722    60.064   217.425    99.042   240.039    75.541   39.161  10.289  42.491  7.6063  -3.330063      12.79560 
1 1 1 -9  -40 4  o 80.241  4.7303  804.058    91.690   756.090    151.483  831.793    115.186  75.544  8.4068  80.984  5.9025  -5.440338      10.27194 
1 1 1 -9  -40 5  o 30.921  7.3080  127.430    53.963   219.632    88.398   72.661     68.130   39.961  9.2926  24.747  8.8993  15.21375       12.86664 
1 1 1 -9  -40 6  o 23.099  7.6912  66.655     50.462   113.869    82.827   38.786     63.635   29.446  9.8546  21.235  8.3771  8.210922       12.93404 
1 1 1 -9  -40 7  o 84.882  4.6418  896.441    95.241   929.065    155.127  876.704    120.658  84.666  7.6332  83.243  6.0142  1.423470       9.717879 
1 1 1 -9  -40 8  o 69.165  4.5254  594.965    75.528   527.221    109.718  655.980    104.127  63.900  7.2020  71.980  6.0171  -8.079887      9.384824 
1 1 1 -9  -40 9  o 63.358  4.5922  499.798    70.118   478.295    102.662  518.599    95.997   60.923  7.0767  63.854  6.2771  -2.930641      9.459490 
1 1 1 -9  -40 10 o 22.231  7.0925  62.346     43.151   28.294     61.905   94.528     60.182   20.206  8.1638  26.897  8.3484  -6.690880      11.67661 
1 1 1 -9  -40 11 o 75.661  4.3458  709.473    79.448   722.032    114.409  697.776    110.410  75.465  6.3059  74.240  6.1856  1.225784       8.833197 
1 1 1 -9  -40 12 o 58.993  4.6972  433.656    66.679   505.611    96.542   368.021    92.205   63.050  6.3992  53.311  7.3214  9.738644       9.723847 
1 1 1 -9  -40 13 o 41.557  5.6504  219.328    55.499   246.879    78.262   191.457    78.714   43.369  7.7203  37.712  8.7683  5.656788       11.68268 
1 1 1 -9  -40 14 o 22.705  7.7952  61.821     51.847   24.566     75.063   95.811     71.699   21.432  8.8624  27.481  9.1687  -6.049906      12.75174 
1 1 1 -9  -40 15 o 110.449 4.2782  1504.25    114.652  1427.13    162.286  1581.10    162.001  106.408 6.3138  112.238 5.9701  -5.829910      8.689384 
1 1 1 -9  -40 16 o 26.091  7.6337  88.742     51.399   44.259     72.320   134.143    73.063   22.722  8.9411  31.671  9.0538  -8.949110      12.72450 
1 1 1 -9  -40 17 o 36.268  8.7014  176.149    75.594   176.149    75.594   0.0000     0.0000   36.268  8.7014  ?       ?       0.000000       8.701444 
1 1 1 -9  -40 18 o 21.271  8.3862  37.048     63.737   37.048     63.737   0.0000     0.0000   21.271  8.3862  ?       ?       0.000000       8.386166 
1 1 1 -9  -40 19 o 13.856  6.4226  -40.6685   51.424   -16.1008   56.979   -148.5518  119.402  16.268  7.2235  18.905  9.0631  -2.636887      11.58959 
1 1 1 -9  -40 20 o 39.237  5.5383  194.909    51.261   257.875    76.891   144.535    68.774   44.617  7.3591  32.940  8.5353  11.67636       11.26976 
1 1 1 -9  -40 21 o 13.534  5.8311  -1.9176    34.745   23.319     64.236   -12.3551   41.310   20.190  8.2568  13.891  6.1602  6.298202       10.30155 
1 1 1 -9  -40 22 o 99.159  3.9953  1208.11    96.127   1249.97    142.270  1172.96    130.392  99.967  5.8914  96.987  5.5641  2.980331       8.103566 
1 1 1 -9  -40 23 o 22.782  6.6299  66.590     38.863   38.237     67.987   80.350     47.364   21.857  8.6473  24.952  7.3359  -3.094355      11.33980 
1 1 1 -9  -40 24 o 102.192 3.9841  1282.89    98.791   1275.77    146.030  1288.90    134.147  100.962 5.9878  101.747 5.4536  -0.7847443     8.099063 
1 1 1 -9  -40 25 f 97.332  4.0057  1163.90    94.602   1311.65    140.371  1040.96    128.051  102.541 5.6637  91.248  5.8138  11.29301       8.116535 
1 1 1 -9  -40 26 o 37.206  5.2632  174.772    46.189   166.587    74.202   179.950    59.018   35.343  8.7089  37.323  6.7660  -1.979580      11.02833 
1 1 1 -9  -40 27 o 97.660  3.9801  1171.70    94.314   1254.74    139.236  1101.30    128.206  100.234 5.7489  93.932  5.6514  6.302361       8.061569 
1 1 1 -9  -40 28 o 20.847  7.4127  48.707     47.143   0.0000     0.0000   48.707     47.143   ?       ?       20.847  7.4127  0.000000       7.412714 
1 1 1 -9  -40 29 o 42.245  6.5517  228.711    64.982   0.0000     0.0000   228.711    64.982   ?       ?       42.245  6.5517  0.000000       6.551696 
1 1 1 -9  -40 30 o 18.537  7.1765  29.648     45.988   0.0000     0.0000   29.648     45.988   ?       ?       18.537  7.1765  0.000000       7.176501 
1 1 1 -9  -40 31 o 25.639  7.3406  85.521     47.991   107.332    132.357  82.220     51.496   31.584  12.190  25.277  7.7013  6.307480       14.41861 
1 1 1 -9  -40 32 o 27.548  6.8872  99.393     45.913   125.642    94.392   91.258     52.548   31.235  10.520  26.456  7.7123  4.778666       13.04399 
1 1 1 -9  -40 33 o 16.021  6.2422  20.837     34.965   31.754     51.728   11.653     47.445   19.424  7.5858  16.933  7.0275  2.491306       10.34067 
1 1 1 -9  -40 34 o 101.184 3.9716  1259.40    97.508   1240.68    139.630  1277.21    136.228  99.501  5.8087  101.086 5.5756  -1.584557      8.051615 
1 1 1 -9  -40 35 f 25.624  7.5152  85.519     49.762   44.998     87.214   105.079    60.594   24.132  9.7111  28.243  8.2956  -4.110378      12.77199 
1 1 1 -9  -40 36 o 35.859  6.9269  167.720    58.089   201.783    98.603   149.614    71.887   38.257  10.365  33.352  8.7674  4.905170       13.57563 
1 1 1 -9  -40 37 o 56.057  5.8058  397.003    77.824   466.113    128.922  357.382    97.615   59.101  9.2972  52.268  7.9472  6.832882       12.23097 
1 1 1 -9  -40 38 o 67.059  5.5630  565.086    89.699   505.367    143.431  603.444    114.951  61.116  10.019  68.640  6.9999  -7.524040      12.22243 
1 1 1 -9  -40 39 f 28.495  5.0915  103.788    33.911   93.707     59.635   108.605    41.225   26.809  8.3086  28.908  6.0705  -2.098804      10.28996 
1 1 1 -9  -40 40 o 64.824  3.7640  518.555    58.949   458.665    96.876   553.770    74.285   59.816  6.7953  66.718  4.6171  -6.901524      8.215463 
1 1 1 -9  -40 41 o 67.091  3.7730  555.531    61.171   617.418    101.740  520.492    76.554   69.832  6.0647  64.548  4.9251  5.284584       7.812581 
1 1 1 -9  -40 42 o 74.971  3.7266  691.585    67.790   741.791    110.542  661.322    85.823   76.590  5.9962  72.795  4.8872  3.794617       7.735588 
1 1 1 -9  -40 43 o 31.629  5.5873  128.692    41.312   184.715    88.358   113.019    46.735   36.564  9.7721  29.292  6.7186  7.271976       11.85892 
1 1 1 -9  -40 44 o 36.609  6.1543  173.284    52.728   125.113    95.656   194.309    63.196   30.834  10.588  38.488  7.0260  -7.653368      12.70714 
1 1 1 -9  -40 45 o 69.561  5.0749  606.976    85.065   606.632    143.851  607.161    105.485  67.248  9.0453  68.926  6.3796  -1.677940      11.06873 
1 1 1 -9  -40 46 o 36.194  6.3494  170.626    53.728   221.443    100.206  150.122    63.651   39.582  10.325  33.339  7.9755  6.243023       13.04692 
1 1 1 -9  -40 47 o 7.1589  3.5916  -78.1601   27.139   -131.5851  71.453   -69.1532   29.338   13.264  6.5056  7.9893  3.9644  5.274667       7.618377 
1 1 1 -9  -40 48 o 14.349  5.8903  10.537     32.846   -7.9985    66.934   16.416     37.697   17.964  7.9099  15.782  6.3727  2.181974       10.15763 
1 1 1 -9  -40 49 o 20.554  6.3936  54.355     35.276   -14.6561   69.351   78.443     40.972   17.830  7.9403  24.286  6.7236  -6.456049      10.40458 
1 1 1 -9  -40 50 f 33.764  5.4540  147.423    43.158   163.587    79.802   140.741    51.309   33.999  9.3718  32.491  6.7298  1.508854       11.53780 
1 1 1 -9  -40 51 o 30.008  5.7985  118.228    40.692   14.613     81.047   153.151    47.053   20.857  8.9446  34.224  5.8778  -13.36712      10.70305 
1 1 1 -9  -40 52 o 39.138  5.2844  197.201    48.901   273.554    89.300   164.500    58.442   44.360  8.6070  34.888  7.1442  9.471966       11.18571 
1 1 1 -9  -40 53 o 71.474  4.4270  642.655    76.397   746.453    139.510  598.195    91.305   74.347  7.8523  68.252  5.5617  6.094955       9.622423 
1 1 1 -9  -40 54 o 36.157  6.3302  173.842    53.512   164.308    104.143  177.262    62.376   33.052  11.050  35.985  7.3913  -2.932190      13.29430 
1 1 1 -9  -40 55 o 51.328  5.0763  337.704    62.393   425.397    122.533  307.008    72.496   54.244  9.6640  48.207  6.3526  6.037197       11.56494 
1 1 1 -9  -40 56 o 43.083  8.1413  259.137    81.988   232.526    150.359  270.398    97.809   37.222  13.238  42.950  9.6239  -5.728020      16.36656 
1 1 1 -9  -40 57 o 23.913  8.6878  73.256     65.152   -95.1776   129.738  130.058    75.341   20.444  9.7014  29.923  9.3496  -9.478777      13.47334 
1 1 1 -9  -40 58 o 46.502  7.9147  299.242    86.105   260.612    159.402  315.158    102.316  38.800  13.648  46.644  9.3657  -7.844166      16.55274 
1 1 1 -9  -40 59 o 14.987  6.5410  -1.9660    44.885   -14.6378   102.465  1.0429     49.930   21.003  9.4776  15.978  6.9368  5.024997       11.74498 
1 1 1 -9  -40 60 o 11.109  5.3044  -48.4123   40.021   -209.3999  97.896   -16.1081   43.853   14.403  7.1629  13.764  6.2067  0.6394291      9.477886 
1 1 1 -9  -40 61 o 42.648  9.1675  263.070    92.043   211.498    207.805  275.657    102.663  35.671  14.748  43.012  10.023  -7.340809      17.83118 
1 1 1 -9  -40 62 o 13.356  6.4679  -90.9561   64.594   112.220    183.083  -119.8420  69.033   30.814  13.330  13.039  6.3953  17.77411       14.78506 
1 1 1 -9  -40 63 o 27.954  9.6204  113.139    78.992   300.505    204.435  80.256     85.643   39.130  15.136  25.255  9.7890  13.87449       18.02565 
1 1 1 -9  -39 1  o 58.449  6.9070  442.364    96.062   436.906    118.279  452.939    164.648  56.991  8.8397  55.452  12.532  1.538811       15.33587 
1 1 1 -9  -39 2  o 104.714 6.0034  1387.42    151.897  1296.66    199.436  1512.80    234.406  99.340  8.3515  106.536 9.1569  -7.196579      12.39338 
1 1 1 -9  -39 3  o 56.479  6.6661  410.025    89.593   306.465    114.228  575.581    144.426  46.938  10.311  65.417  9.3662  -18.47955      13.93023 
1 1 1 -9  -39 4  o 40.281  8.0265  216.006    75.695   188.784    96.032   260.669    123.006  36.850  10.326  42.714  11.578  -5.864319      15.51424 
1 1 1 -9  -39 5  o 72.196  6.0960  659.888    105.788  721.846    138.026  571.672    164.697  74.611  7.7366  64.313  10.946  10.29885       13.40442 
1 1 1 -9  -39 6  o 57.526  6.4962  422.525    89.086   355.292    115.531  521.132    139.914  51.197  9.6541  62.301  9.5609  -11.10400      13.58722 
1 1 1 -9  -39 7  o 72.996  5.9249  672.001    104.036  726.455    134.286  590.249    164.538  75.098  7.4686  65.684  10.692  9.413429       13.04185 
1 1 1 -9  -39 8  o 43.386  7.8884  247.841    79.984   210.894    94.595   340.504    149.807  39.199  9.9333  48.599  12.599  -9.400551      16.04401 
1 1 1 -9  -39 9  o 30.859  8.7886  127.256    68.979   166.365    79.861   12.359     136.882  35.046  9.2544  26.511  11.498  8.535654       14.75934 
1 1 1 -9  -39 10 o 41.271  7.6551  223.317    73.835   244.823    87.060   168.217    139.355  42.854  8.6704  35.803  12.743  7.050907       15.41313 
1 1 1 -9  -39 11 o 28.077  8.9712  101.798    69.020   43.604     81.369   251.076    130.323  23.530  9.4113  42.188  12.102  -18.65775      15.33044 
1 1 1 -9  -39 12 o 75.836  6.0607  723.447    110.591  657.540    138.545  839.191    183.600  71.262  8.1595  79.624  9.7038  -8.361649      12.67838 
1 1 1 -9  -39 13 o 81.425  6.0085  832.211    117.872  740.054    146.102  1004.03    199.493  75.747  8.0737  87.352  9.5687  -11.60480      12.51978 
1 1 1 -9  -39 14 o 18.387  7.8384  4.3736     61.573   26.347     68.358   -90.1276   141.763  20.919  8.5320  23.055  10.679  -2.135946      13.66859 
1 1 1 -9  -39 15 o 26.667  7.4640  92.676     50.204   115.856    70.986   69.478     71.013   29.762  9.0362  24.967  9.0702  4.795250       12.80319 
1 1 1 -9  -39 16 o 53.951  7.1002  372.034    90.690   372.034    90.690   0.0000     0.0000   53.951  7.1002  ?       ?       0.000000       7.100229 
1 1 1 -9  -39 17 o 28.789  9.1485  106.268    71.850   106.268    71.850   0.0000     0.0000   28.789  9.1485  ?       ?       0.000000       9.148510 
1 1 1 -9  -39 18 o 12.279  5.8766  -66.6009   49.733   -86.0113   53.197   68.030     140.101  12.079  5.8547  29.982  12.220  -17.90230      13.55000 
1 1 1 -9  -39 19 o 29.033  6.6913  109.488    46.170   121.407    69.982   100.301    61.438   30.440  8.9078  27.865  8.3947  2.574497       12.24004 
1 1 1 -9  -39 20 o 60.121  4.1646  445.849    60.379   459.756    93.212   435.795    79.255   60.376  6.4631  59.047  5.5987  1.328945       8.550843 
1 1 1 -9  -39 21 o 49.985  4.4706  309.608    53.648   337.626    84.633   290.787    69.364   51.490  6.9519  47.997  6.0933  3.492851       9.244293 
1 1 1 -9  -39 22 o 14.683  6.0858  7.8043     35.513   19.158     63.327   2.5956     42.892   19.828  8.1638  15.461  6.5654  4.366802       10.47622 
1 1 1 -9  -39 23 o 15.766  6.2445  17.542     35.491   38.101     64.909   8.7745     42.389   21.614  8.4815  15.953  6.6334  5.661005       10.76746 
1 1 1 -9  -39 24 o 23.706  6.7014  72.170     40.261   138.624    67.909   36.152     49.995   32.430  8.5196  19.784  7.5271  12.64577       11.36843 
1 1 1 -9  -39 25 o 15.338  6.2863  10.986     37.337   90.331     65.881   -26.5561   45.318   26.908  8.7799  13.658  6.2186  13.24911       10.75907 
1 1 1 -9  -39 26 o 22.966  6.5567  67.535     38.344   67.158     69.133   67.703     46.082   24.700  8.9529  23.269  7.3189  1.430696       11.56379 
1 1 1 -9  -39 27 o 54.166  5.6664  367.420    73.370   0.0000     0.0000   367.420    73.370   ?       ?       54.166  5.6664  0.000000       5.666357 
1 1 1 -9  -39 28 o 55.024  5.5948  378.845    73.657   0.0000     0.0000   378.845    73.657   ?       ?       55.024  5.5948  0.000000       5.594845 
1 1 1 -9  -39 29 o 19.158  6.9915  38.308     42.262   0.0000     0.0000   38.308     42.262   ?       ?       19.158  6.9915  0.000000       6.991483 
1 1 1 -9  -39 30 o 16.025  6.4520  15.708     38.520   40.644     75.488   6.9293     44.790   22.886  9.0936  16.153  6.7755  6.732977       11.34024 
1 1 1 -9  -39 31 o 11.204  5.0552  -14.6412   29.142   16.758     44.962   -37.3878   38.268   17.105  6.9412  11.580  5.4248  5.525032       8.809574 
1 1 1 -9  -39 32 o 40.347  4.6940  203.305    45.095   129.469    65.438   270.084    62.232   31.303  8.4281  46.315  5.6551  -15.01165      10.14956 
1 1 1 -9  -39 33 o 18.957  6.3178  42.846     34.046   76.258     49.654   13.201     46.772   24.494  7.5799  17.016  7.0122  7.477961       10.32599 
1 1 1 -9  -39 34 o 18.261  6.2897  38.377     33.767   54.406     50.019   24.955     45.771   21.776  7.6462  18.029  7.1071  3.746813       10.43909 
1 1 1 -9  -39 35 o 69.110  3.5433  586.796    59.217   632.743    94.134   556.706    76.178   71.161  5.4944  66.985  4.7171  4.175880       7.241459 
1 1 1 -9  -39 36 o 68.986  5.4648  595.036    90.725   556.213    143.708  620.764    116.985  64.855  9.4066  69.823  6.9993  -4.967644      11.72491 
1 1 1 -9  -39 37 o 19.036  7.1983  34.781     45.545   -11.1317   86.466   52.410     53.581   20.512  9.0119  21.800  7.8849  -1.287653      11.97438 
1 1 1 -9  -39 38 o 36.411  6.8651  172.288    58.427   116.510    98.255   202.800    72.671   30.542  10.717  39.214  7.9105  -8.672726      13.32026 
1 1 1 -9  -39 39 o 28.097  7.5781  104.107    52.849   11.513     95.971   144.405    63.313   22.808  9.7559  32.953  7.9990  -10.14468      12.61597 
1 1 1 -9  -39 40 o 50.249  3.8958  312.338    47.128   320.449    78.855   307.831    58.781   50.010  6.6644  49.593  4.9511  0.4169769      8.302258 
1 1 1 -9  -39 41 o 73.574  3.7524  666.935    66.765   577.761    107.945  722.183    84.966   67.336  6.6956  76.275  4.6126  -8.938942      8.130658 
1 1 1 -9  -39 42 o 48.602  4.0939  293.063    47.829   365.322    84.449   258.940    58.033   53.409  6.6614  45.291  5.3864  8.117516       8.566646 
1 1 1 -9  -39 43 o 60.182  3.8725  447.524    56.249   508.829    94.691   414.097    69.922   63.308  6.2458  57.509  5.0624  5.798191       8.039770 
1 1 1 -9  -39 44 o 23.509  6.7385  71.902     40.421   80.300     66.189   66.907     51.044   25.537  8.8053  23.220  7.7357  2.316566       11.72065 
1 1 1 -9  -39 45 o 58.259  5.2003  426.276    72.738   467.609    126.251  405.739    88.992   59.109  9.0941  56.228  6.6517  2.881325       11.26715 
1 1 1 -9  -39 46 o 97.355  5.2696  1187.20    124.018  1076.69    202.769  1253.25    156.756  89.649  9.4647  99.197  6.5496  -9.547623      11.50988 
1 1 1 -9  -39 47 o 56.015  5.3423  396.029    71.730   428.470    128.202  381.246    86.544   55.914  9.8072  54.359  6.7035  1.555016       11.87926 
1 1 1 -9  -39 48 o 18.807  6.3763  42.502     34.681   -27.9217   69.082   66.232     40.101   17.150  7.7564  22.576  6.7777  -5.426535      10.30043 
1 1 1 -9  -39 49 o 67.892  3.9638  572.022    65.014   653.223    112.657  531.476    79.608   71.210  6.5949  64.962  5.0913  6.248398       8.331524 
1 1 1 -9  -39 50 o 49.850  4.3748  311.310    52.381   323.665    95.587   306.008    62.621   48.934  8.3502  49.044  5.3490  -0.1099968     9.916513 
1 1 1 -9  -39 51 o 70.457  4.0414  617.946    68.801   686.812    118.979  583.349    84.331   72.641  6.8306  67.912  5.1562  4.728676       8.558231 
1 1 1 -9  -39 52 o 77.871  4.0505  755.471    76.269   682.862    127.040  796.389    95.368   71.879  7.3893  79.436  4.9730  -7.556633      8.906877 
1 1 1 -9  -39 53 o 32.569  6.4822  141.169    49.425   151.169    114.965  138.902    54.743   32.448  11.572  32.001  7.2217  0.4476280      13.64033 
1 1 1 -9  -39 54 o 36.643  6.3574  177.742    54.474   11.314     109.983  231.842    62.706   23.177  10.174  41.957  6.3588  -18.78020      11.99732 
1 1 1 -9  -39 55 o 18.486  7.0639  34.910     44.151   -90.3506   98.019   66.793     49.452   17.694  8.4068  22.655  7.6144  -4.961388      11.34254 
1 1 1 -9  -39 56 o 28.526  7.3908  112.277    51.570   189.211    109.143  90.164     58.514   35.095  11.289  25.662  8.2666  9.432741       13.99175 
1 1 1 -9  -39 57 o 39.895  8.4603  224.302    79.358   284.109    145.932  199.190    94.562   41.298  13.029  36.442  10.259  4.856445       16.58336 
1 1 1 -9  -39 58 f 51.705  7.3474  361.404    89.586   427.790    156.459  329.022    109.272  51.497  12.620  47.472  9.8109  4.024593       15.98488 
1 1 1 -9  -39 59 o 23.099  7.5393  71.051     48.577   134.660    98.238   50.464     55.887   30.448  10.714  21.128  7.9775  9.319269       13.35785 
1 1 1 -9  -39 60 o 42.373  5.7879  234.454    57.951   130.046    112.247  272.398    67.667   30.330  11.335  45.435  6.3082  -15.10523      12.97249 
1 1 1 -9  -39 61 o 19.140  7.4305  36.506     49.406   94.606     97.212   16.273     57.368   27.235  10.464  18.182  7.6495  9.052694       12.96180 
1 1 1 -9  -39 62 o 17.582  7.8851  -14.6035   69.696   -74.8784   190.134  -5.2474    74.910   25.309  11.930  18.733  8.3018  6.576031       14.53401 
1 1 1 -9  -39 63 o 26.951  9.7674  99.788     82.278   366.919    207.515  49.960     89.624   43.294  15.535  23.445  9.6885  19.84914       18.30888 
1 1 1 -9  -39 64 o 24.442  9.5737  71.809     82.577   53.727     222.602  74.694     88.922   29.699  13.620  24.983  9.8877  4.716412       16.83068 
1 1 1 -9  -38 1  o 45.974  7.8128  278.421    84.035   264.109    100.912  310.802    151.788  43.870  9.7345  45.942  13.021  -2.071781      16.25726 
1 1 1 -9  -38 2  o 26.872  8.7163  93.043     64.967   19.942     81.885   217.238    106.731  21.782  9.1503  39.408  10.828  -17.62583      14.17676 
1 1 1 -9  -38 3  o 42.345  7.6801  235.632    76.004   331.126    96.979   83.594     122.368  50.109  8.2645  29.264  11.594  20.84495       14.23776 
1 1 1 -9  -38 4  o 28.789  8.6445  109.449    65.229   139.727    83.669   62.528     104.155  32.240  9.8152  26.699  10.659  5.540943       14.48940 
1 1 1 -9  -38 5  o 67.844  6.1432  581.688    100.031  656.958    129.460  470.169    157.580  71.410  7.5878  58.076  11.589  13.33398       13.85175 
1 1 1 -9  -38 6  o 33.636  8.3724  151.143    68.063   25.208     87.602   342.950    108.111  22.816  9.5158  50.715  9.1209  -27.89932      13.18103 
1 1 1 -9  -38 7  o 118.991 5.9071  1769.36    170.549  1780.73    225.604  1754.19    260.536  117.772 7.9411  115.665 9.3636  2.107170       12.27759 
1 1 1 -9  -38 8  o 44.581  7.4605  258.116    77.850   310.098    92.199   128.996    145.309  48.702  8.0858  33.584  12.819  15.11773       15.15631 
1 1 1 -9  -38 9  o 25.389  8.7965  77.240     66.096   51.879     76.364   152.984    131.970  23.795  9.2378  34.733  12.397  -10.93735      15.46024 
1 1 1 -9  -38 10 o 86.613  10.115  992.425    208.562  0.0000     0.0000   992.425    208.562  ?       ?       86.613  10.115  0.000000       10.11461 
1 1 1 -9  -38 11 o 97.021  5.8451  1175.21    136.957  1183.25    175.958  1162.85    218.144  96.437  7.5808  94.251  9.6760  2.185120       12.29206 
1 1 1 -9  -38 12 o 38.164  8.2140  191.681    73.809   193.730    88.136   186.871    135.050  38.008  9.5645  37.524  12.583  0.4840546      15.80570 
1 1 1 -9  -38 13 o 48.600  7.3846  303.352    84.340   270.421    97.548   400.862    167.857  45.178  9.2110  53.430  13.058  -8.252102      15.97987 
1 1 1 -9  -38 14 f 29.273  8.9862  110.603    69.949   83.859     79.026   207.362    150.317  26.961  9.5963  39.463  13.275  -12.50142      16.38057 
1 1 1 -9  -38 15 o 21.783  8.8792  27.883     73.977   27.883     73.977   0.0000     0.0000   21.783  8.8792  ?       ?       0.000000       8.879167 
1 1 1 -9  -38 16 o 88.099  7.4584  981.006    157.936  981.006    157.936  0.0000     0.0000   88.099  7.4584  ?       ?       0.000000       7.458409 
1 1 1 -9  -38 17 o 81.862  6.1185  836.107    120.654  782.350    146.550  949.200    212.562  78.500  7.7972  85.082  10.520  -6.582489      13.09490 
1 1 1 -9  -38 18 o 65.726  5.6604  537.919    89.391   527.164    119.625  551.519    134.515  64.321  7.8262  65.461  8.6831  -1.139877      11.68954 
1 1 1 -9  -38 19 o 31.313  5.7515  124.889    42.089   111.138    69.667   132.792    52.817   29.420  8.9562  32.037  6.9910  -2.616873      11.36171 
1 1 1 -9  -38 20 o 34.163  5.4096  147.337    43.349   202.638    73.131   117.382    53.824   39.517  7.9030  30.050  7.4249  9.467377       10.84374 
1 1 1 -9  -38 21 o 57.030  4.1624  400.550    57.201   402.234    89.570   399.391    74.332   56.507  6.6608  56.641  5.4769  -0.1345825     8.623353 
1 1 1 -9  -38 22 o 59.986  4.1502  442.857    60.036   434.948    92.897   448.529    78.672   58.804  6.6263  60.063  5.4578  -1.258957      8.584542 
1 1 1 -9  -38 23 o 43.245  4.7604  232.454    49.124   269.179    79.577   209.841    62.443   45.873  7.4012  40.621  6.5587  5.251514       9.889112 
1 1 1 -9  -38 24 o 33.867  5.5496  145.062    44.024   176.114    74.053   128.089    54.750   36.671  8.4901  31.419  7.3180  5.252430       11.20868 
1 1 1 -9  -38 25 o 65.425  4.0344  526.024    63.732   519.212    97.461   531.113    84.239   64.407  6.3177  65.428  5.3531  -1.020622      8.280678 
1 1 1 -9  -38 26 o 47.373  5.8525  281.519    65.842   0.0000     0.0000   281.519    65.842   ?       ?       47.373  5.8525  0.000000       5.852542 
1 1 1 -9  -38 27 o 28.544  7.2540  105.689    50.345   0.0000     0.0000   105.689    50.345   ?       ?       28.544  7.2540  0.000000       7.253974 
1 1 1 -9  -38 28 o 21.522  7.3362  54.029     45.911   0.0000     0.0000   54.029     45.911   ?       ?       21.522  7.3362  0.000000       7.336186 
1 1 1 -9  -38 29 o 67.256  4.1673  556.543    67.671   596.841    106.656  529.388    87.551   69.008  6.4443  65.224  5.5860  3.783546       8.528346 
1 1 1 -9  -38 30 o 74.828  3.8344  687.173    69.385   723.014    99.734   653.554    96.593   76.332  5.4201  72.520  5.5311  3.811684       7.744049 
1 1 1 -9  -38 31 o 84.945  3.8139  883.427    78.609   969.071    112.477  801.651    109.908  88.457  5.2642  80.289  5.6783  8.168488       7.743079 
1 1 1 -9  -38 32 o 19.678  6.3169  47.230     34.189   9.0288     51.430   77.480     45.766   17.388  7.2748  24.609  7.2042  -7.221077      10.23832 
1 1 1 -9  -38 33 o 30.714  5.6631  120.377    40.650   38.167     58.274   198.294    56.732   20.911  8.0832  39.510  6.1152  -18.59905      10.13582 
1 1 1 -9  -38 34 o 35.442  4.3446  156.587    36.580   141.672    62.179   164.482    45.236   32.846  7.8987  36.106  5.3231  -3.259693      9.524971 
1 1 1 -9  -38 35 o 43.376  3.9697  232.687    41.316   273.812    69.113   209.816    51.540   46.470  6.2912  40.852  5.3263  5.617985       8.243048 
1 1 1 -9  -38 36 f 94.277  3.6189  1088.76    82.784   1035.76    128.202  1126.66    108.416  91.088  5.8312  95.599  4.6739  -4.510681      7.473158 
1 1 1 -9  -38 37 o 73.256  5.3954  668.882    95.228   842.731    150.325  552.356    123.071  81.198  7.7230  65.527  7.8999  15.67085       11.04775 
1 1 1 -9  -38 38 o 20.736  7.3822  48.005     46.768   58.009     82.602   43.285     56.739   24.850  9.6188  21.171  8.0274  3.678810       12.52836 
1 1 1 -9  -38 39 o 39.177  6.6312  197.586    60.786   158.455    101.631  219.381    75.848   34.406  10.875  40.879  7.9330  -6.472561      13.46093 
1 1 1 -9  -38 40 o 105.606 5.5662  1391.71    142.127  1420.96    218.811  1370.36    186.929  104.665 8.6946  103.642 7.4836  1.023102       11.47172 
1 1 1 -9  -38 41 o 32.201  4.8135  130.941    36.456   153.268    64.144   120.288    44.307   34.007  7.9210  30.477  6.2025  3.530613       10.06048 
1 1 1 -9  -38 42 o 65.678  3.7937  531.642    60.200   508.094    99.743   545.135    75.502   63.214  6.6002  66.227  4.7296  -3.012169      8.119827 
1 1 1 -9  -38 43 o 37.281  4.6443  174.360    41.101   136.841    74.038   191.073    49.415   31.944  9.1078  38.844  5.3880  -6.899580      10.58215 
1 1 1 -9  -38 44 o 29.461  5.5734  111.586    38.382   48.895     70.413   138.088    45.781   22.903  8.8764  32.737  5.9840  -9.833708      10.70506 
1 1 1 -9  -38 45 f 24.939  6.1572  81.138     37.035   113.054    69.390   68.426     43.794   29.233  8.9464  23.122  7.1125  6.111572       11.42915 
1 1 1 -9  -38 46 o 40.731  6.0051  212.330    57.568   263.920    106.092  190.800    68.536   43.707  10.191  37.970  7.7023  5.736828       12.77458 
1 1 1 -9  -38 47 o 36.449  6.4347  172.334    54.828   207.251    104.200  158.966    64.475   38.448  10.750  34.497  7.8760  3.950661       13.32675 
1 1 1 -9  -38 48 o 8.5552  4.2366  -74.9590   32.875   32.868     76.490   -99.3908   36.410   22.053  9.0133  8.4439  4.2253  13.60865       9.954550 
1 1 1 -9  -38 49 o 51.668  4.2898  332.783    53.293   261.915    95.851   364.493    64.118   43.677  9.3280  53.853  4.9627  -10.17589      10.56595 
1 1 1 -9  -38 50 f 85.290  3.9348  899.089    81.430   905.448    136.307  895.560    101.542  83.876  6.7548  84.527  4.9728  -0.6505127     8.387864 
1 1 1 -9  -38 51 o 41.479  5.0506  218.412    49.783   249.002    90.234   205.027    59.689   42.488  9.0310  39.644  6.4251  2.844296       11.08335 
1 1 1 -9  -38 52 o 76.880  4.0702  735.196    75.655   746.740    126.916  728.834    94.227   75.712  6.9873  75.993  5.1404  -0.2807922     8.674493 
1 1 1 -9  -38 53 o 52.825  4.5376  350.943    57.596   300.592    101.418  374.912    69.975   46.335  9.3433  54.228  5.3894  -7.893154      10.78621 
1 1 1 -9  -38 54 o 105.489 4.3045  1388.37    110.176  1315.20    178.645  1433.28    139.965  99.774  7.4325  106.181 5.4510  -6.407318      9.217133 
1 1 1 -9  -38 55 o 44.524  5.5860  255.907    59.019   261.354    109.796  253.694    69.991   41.904  10.747  43.711  6.8220  -1.806953      12.72936 
1 1 1 -9  -38 56 o 52.020  4.9836  344.777    62.134   324.079    113.186  353.704    74.336   47.082  10.202  52.162  5.9813  -5.079834      11.82646 
1 1 1 -9  -38 57 o 10.702  5.2571  -89.7192   47.206   -18.1118   72.773   -141.7384  62.026   17.848  8.0266  11.490  5.7122  6.357059       9.851726 
1 1 1 -9  -38 58 o 22.057  9.7272  5.5460     101.613  5.5460     101.613  0.0000     0.0000   22.057  9.7272  ?       ?       0.000000       9.727171 
1 1 1 -9  -38 59 o 24.318  8.6574  76.153     64.323   15.283     112.493  105.722    78.404   23.437  10.288  27.688  9.5814  -4.251068      14.05899 
1 1 1 -9  -38 60 f 42.736  5.8368  238.187    58.941   338.687    111.796  199.497    69.365   48.328  9.8675  38.061  7.7739  10.26755       12.56187 
1 1 1 -9  -38 61 o 46.697  5.6423  282.497    62.634   271.083    120.822  286.692    73.245   41.828  11.532  46.474  6.6880  -4.646271      13.33140 
1 1 1 -9  -38 62 o 27.370  9.7420  101.821    81.446   30.465     203.242  115.472    88.896   29.255  13.261  28.761  10.184  0.4942684      16.72061 
1 1 1 -9  -38 63 o 32.605  10.180  158.278    89.337   293.939    229.199  133.976    97.009   39.613  15.812  30.340  10.649  9.272593       19.06347 
1 1 1 -9  -38 64 o 45.134  9.2316  295.360    97.689   184.355    224.660  321.243    108.482  34.516  14.849  46.552  9.9083  -12.03567      17.85164 
1 1 1 -9  -37 1  o 50.189  5.1955  316.171    62.354   268.952    91.024   357.919    85.590   44.944  8.6609  52.823  6.8384  -7.878407      11.03511 
1 1 1 -9  -37 2  o 67.245  4.4884  560.725    72.814   567.903    109.257  554.990    97.665   66.744  6.8432  66.283  6.1424  0.4605255      9.195532 
1 1 1 -9  -37 3  o 71.343  4.3609  629.863    75.128   662.843    114.219  604.713    99.741   72.310  6.5820  69.299  5.9906  3.010223       8.900017 
1 1 1 -9  -37 4  o 20.672  7.2258  49.188     44.646   24.289     67.865   68.186     59.281   20.667  8.4733  23.971  8.3293  -3.304256      11.88167 
1 1 1 -9  -37 5  o 63.680  4.4364  502.157    68.119   540.485    103.145  472.509    90.718   65.300  6.6005  61.174  6.1972  4.125587       9.053861 
1 1 1 -9  -37 6  o 73.705  4.2547  670.576    75.767   719.943    113.259  630.589    101.934  75.657  6.2249  70.873  5.9835  4.784004       8.634275 
1 1 1 -9  -37 7  o 119.902 4.1966  1767.38    122.092  1816.30    178.149  1724.06    167.658  120.524 6.1118  117.685 5.8713  2.838921       8.475061 
1 1 1 -9  -37 8  o 50.689  4.8651  319.811    59.102   377.880    86.254   268.417    81.145   54.578  6.6508  45.553  7.6100  9.025455       10.10665 
1 1 1 -9  -37 9  o 107.242 4.9903  1419.41    129.854  1487.85    264.304  1397.63    149.088  106.455 10.364  105.944 5.8220  0.5108948      11.88706 
1 1 1 -9  -37 10 o 66.796  5.4135  555.213    86.983   589.108    185.108  545.607    98.540   65.822  12.034  65.946  6.2322  -0.1240234     13.55179 
1 1 1 -9  -37 11 o 42.307  6.8011  228.606    67.451   216.880    76.492   269.602    143.019  40.819  8.0091  44.241  12.674  -3.421562      14.99222 
1 1 1 -9  -37 12 o 37.165  8.2334  180.765    72.291   190.134    86.635   159.284    131.176  37.855  9.4589  35.679  12.391  2.176147       15.58834 
1 1 1 -9  -37 13 o 103.051 5.9268  1318.90    147.572  1212.84    185.338  1502.61    243.924  97.947  7.8648  108.194 9.3845  -10.24663      12.24434 
1 1 1 -9  -37 14 o 102.383 7.5812  1319.21    186.995  1319.21    186.995  0.0000     0.0000   102.383 7.5812  ?       ?       0.000000       7.581164 
1 1 1 -9  -37 15 o 114.495 7.6752  1647.77    211.992  1647.77    211.992  0.0000     0.0000   114.495 7.6752  ?       ?       0.000000       7.675198 
1 1 1 -9  -37 16 o 90.856  5.8863  1023.66    129.067  980.697    160.895  1101.20    216.163  88.292  7.5839  92.549  9.7739  -4.256424      12.37108 
1 1 1 -9  -37 17 o 43.268  6.8361  237.747    69.385   237.733    95.079   237.762    101.484  42.541  9.4563  42.404  10.022  0.1373711      13.77903 
1 1 1 -9  -37 18 o 79.231  5.4200  776.119    103.572  680.746    139.031  895.049    155.255  73.384  7.9344  84.355  7.6691  -10.97051      11.03494 
1 1 1 -9  -37 19 o 40.974  6.9864  213.899    66.968   244.011    90.256   177.015    99.889   43.300  8.8883  36.735  10.612  6.565556       13.84221 
1 1 1 -9  -37 20 o 56.331  5.9184  395.463    79.685   452.111    108.748  329.781    117.098  59.765  7.6766  50.179  9.9689  9.586082       12.58205 
1 1 1 -9  -37 21 o 102.449 4.3055  1284.47    107.028  1264.20    181.934  1295.20    132.352  100.494 7.5156  102.505 5.3398  -2.010132      9.219427 
1 1 1 -9  -37 22 o 91.970  3.8941  1033.45    86.899   1150.15    128.837  936.041    117.704  96.530  5.5236  87.029  5.6037  9.500999       7.868420 
1 1 1 -9  -37 23 o 18.676  6.4518  39.251     35.543   -5.2378    64.653   58.520     42.550   18.328  7.9253  21.945  7.0473  -3.616926      10.60545 
1 1 1 -9  -37 24 o 92.940  3.9044  1055.41    88.049   1096.95    130.391  1020.59    119.378  94.202  5.7318  90.938  5.4351  3.264206       7.898977 
1 1 1 -9  -37 25 o 100.876 5.4066  1254.92    131.852  0.0000     0.0000   1254.92    131.852  ?       ?       100.876 5.4066  0.000000       5.406570 
1 1 1 -9  -37 26 o 59.053  5.4753  432.610    77.562   0.0000     0.0000   432.610    77.562   ?       ?       59.053  5.4753  0.000000       5.475324 
1 1 1 -9  -37 27 o 31.088  7.1513  124.757    52.820   0.0000     0.0000   124.757    52.820   ?       ?       31.088  7.1513  0.000000       7.151279 
1 1 1 -9  -37 28 o 80.234  3.9821  787.121    77.523   908.959    117.880  694.265    102.908  85.692  5.7019  74.841  5.7100  10.85189       8.069453 
1 1 1 -9  -37 29 o 41.442  4.5329  212.945    44.837   223.806    65.534   203.387    61.477   42.004  6.6516  40.025  6.5575  1.979649       9.340466 
1 1 1 -9  -37 30 o 84.313  3.8081  868.944    77.905   857.671    111.837  879.570    108.583  83.234  5.5698  84.364  5.3319  -1.130684      7.710446 
1 1 1 -9  -37 31 o 110.140 3.9131  1483.83    104.576  1440.06    149.110  1526.19    146.704  107.862 5.7178  111.281 5.4332  -3.418869      7.887529 
1 1 1 -9  -37 32 o 98.717  3.8553  1192.06    92.345   1164.47    131.781  1218.67    129.443  96.966  5.6252  99.285  5.3934  -2.318733      7.793078 
1 1 1 -9  -37 33 o 96.932  3.6181  1148.55    85.096   1064.83    130.598  1210.31    112.180  92.603  5.8423  99.260  4.6578  -6.656860      7.471729 
1 1 1 -9  -37 34 o 18.603  5.8406  42.487     29.361   32.662     52.947   46.849     35.283   19.808  7.6916  19.715  6.4249  0.9345055E-01  10.02194 
1 1 1 -9  -37 35 o 37.847  4.2508  177.871    38.361   242.456    65.266   143.782    47.416   43.740  6.3338  33.563  6.0445  10.17686       8.755226 
1 1 1 -9  -37 36 o 66.961  3.5778  550.047    57.920   454.882    92.242   611.992    74.420   60.114  6.4234  70.454  4.3749  -10.34017      7.771754 
1 1 1 -9  -37 37 o 91.536  3.5754  1025.39    79.411   1066.34    123.790  996.748    103.518  92.636  5.5327  89.828  4.7665  2.807899       7.302727 
1 1 1 -9  -37 38 o 53.733  5.8096  362.519    74.539   334.091    122.891  379.064    93.754   49.772  10.506  54.457  7.2774  -4.685261      12.78025 
1 1 1 -9  -37 39 o 113.099 5.5958  1587.79    153.562  1632.50    233.689  1553.81    203.721  112.677 8.6128  110.580 7.6395  2.096649       11.51268 
1 1 1 -9  -37 40 o 68.623  5.5025  588.034    90.849   603.943    144.417  577.615    116.871  68.014  8.9699  67.306  7.2719  0.7076797      11.54724 
1 1 1 -9  -37 41 o 51.136  5.8056  329.526    70.758   329.735    118.369  329.409    88.264   49.379  10.216  50.553  7.4162  -1.174259      12.62430 
1 1 1 -9  -37 42 o 19.624  6.0076  48.349     31.287   62.409     56.437   42.110     37.592   23.156  8.1224  19.138  6.6338  4.018322       10.48716 
1 1 1 -9  -37 43 o 66.285  3.8194  541.265    61.169   542.972    101.806  540.300    76.522   65.468  6.4946  65.932  4.8166  -0.4645081     8.085714 
1 1 1 -9  -37 44 o 63.365  3.8523  495.032    58.948   613.991    99.530   430.761    73.159   69.871  5.9266  58.702  5.1898  11.16907       7.877728 
1 1 1 -9  -37 45 o 44.259  4.3924  243.918    46.548   254.006    82.732   239.246    56.305   43.937  8.0573  43.532  5.4500  0.4050865      9.727428 
1 1 1 -9  -37 46 o 35.461  4.9066  158.622    41.086   141.725    74.552   165.992    49.238   32.462  9.0990  36.021  5.8329  -3.558750      10.80812 
1 1 1 -9  -37 47 o 38.826  6.2912  193.962    57.240   45.475     108.157  251.731    67.462   25.886  10.665  44.277  6.4704  -18.39012      12.47418 
1 1 1 -9  -37 48 o 75.122  5.2340  706.290    94.807   660.612    164.425  729.041    116.039  69.944  9.9707  75.778  6.3700  -5.834541      11.83183 
1 1 1 -9  -37 49 o 65.724  5.3154  542.678    84.041   773.002    148.915  435.038    101.802  76.895  8.1034  57.854  7.4233  19.04096       10.98959 
1 1 1 -9  -37 50 o 97.031  3.9309  1161.81    92.548   1241.25    149.463  1112.41    117.861  98.848  6.2640  94.237  5.1743  4.610924       8.124720 
1 1 1 -9  -37 51 o 60.519  4.1562  455.404    60.661   426.825    100.936  471.562    75.896   57.077  7.4673  61.193  5.1598  -4.115368      9.076509 
1 1 1 -9  -37 52 o 49.192  4.6011  303.803    54.281   186.381    92.968   364.537    66.861   36.268  10.159  53.685  5.1979  -17.41666      11.41176 
1 1 1 -9  -37 53 o 12.335  5.6445  -22.9452   37.946   13.099     65.041   -41.5443   46.721   19.143  8.1041  12.837  6.0074  6.305706       10.08792 
1 1 1 -9  -37 54 f 41.252  5.1311  217.050    50.250   236.220    88.875   208.042    60.922   41.102  9.1472  39.793  6.5367  1.309135       11.24275 
1 1 1 -9  -37 55 o 15.527  6.8130  -5.7335    49.284   62.194     174.472  -11.6236   51.376   29.805  12.953  15.427  6.8541  14.37804       14.65511 
1 1 1 -9  -37 56 o 27.607  7.1509  103.550    48.284   77.006     86.948   115.385    58.059   25.723  9.8929  28.905  8.0042  -3.182331      12.72548 
1 1 1 -9  -37 57 o 15.796  6.7300  5.8079     45.347   97.735     88.545   -26.8745   52.796   27.413  10.102  14.616  6.6769  12.79697       12.10939 
1 1 1 -9  -37 58 o 36.851  12.264  212.224    128.302  212.224    128.302  0.0000     0.0000   36.851  12.264  ?       ?       0.000000       12.26363 
1 1 1 -9  -37 59 o 17.739  7.5800  8.8474     57.828   -56.7612   103.815  38.362     69.631   19.567  9.0893  21.306  8.6407  -1.738930      12.54098 
1 1 1 -9  -37 60 o 29.867  7.4252  122.441    53.579   52.910     101.694  149.159    63.038   24.837  10.297  32.758  8.0001  -7.920511      13.03924 
1 1 1 -9  -37 61 o 71.150  4.7048  639.193    80.765   609.917    146.391  652.004    96.836   65.831  9.4345  71.257  5.6470  -5.426407      10.99536 
1 1 1 -9  -37 62 o 21.900  7.7199  59.633     51.024   65.270     101.964  57.750     58.934   25.628  10.433  22.194  8.2296  3.433640       13.28787 
1 1 1 -9  -37 63 f 33.251  10.520  164.395    95.089   -73.5788   230.961  212.967    104.343  27.789  13.114  37.463  10.852  -9.674744      17.02188 
1 1 1 -9  -37 64 o 48.407  8.9794  333.112    101.584  151.257    248.908  369.455    111.273  34.248  15.158  50.699  9.3913  -16.45069      17.83105 
1 1 1 -9  -36 1  o 67.808  4.3248  568.644    70.785   631.013    99.865   505.673    100.346  70.897  5.8577  63.103  6.6540  7.794395       8.865032 
1 1 1 -9  -36 2  o 49.498  4.7250  305.174    56.059   315.631    78.982   294.557    79.581   49.711  6.7202  47.873  7.0632  1.838703       9.749376 
1 1 1 -9  -36 3  o 97.174  4.0776  1160.39    96.144   1130.60    140.168  1186.86    132.124  94.986  6.1142  97.576  5.6041  -2.589142      8.293888 
1 1 1 -9  -36 4  o 75.896  4.1441  709.797    76.027   670.500    110.008  745.727    105.191  73.034  6.2685  77.295  5.6478  -4.261467      8.437531 
1 1 1 -9  -36 5  f 47.292  4.7085  278.212    53.312   246.352    74.671   311.337    76.138   43.718  7.2965  49.537  6.4907  -5.818691      9.765638 
1 1 1 -9  -36 6  o 81.404  4.1576  815.422    81.846   796.263    121.217  831.475    110.957  79.710  6.3192  81.729  5.6295  -2.018929      8.463061 
1 1 1 -9  -36 7  o 82.937  4.0810  843.489    82.125   869.700    120.951  821.068    111.866  83.498  6.0102  81.226  5.7123  2.271126       8.291672 
1 1 1 -9  -36 8  o 70.012  4.2783  603.526    72.331   583.787    105.025  621.336    99.760   68.232  6.4191  70.591  5.8777  -2.358856      8.703585 
1 1 1 -9  -36 9  o 77.939  4.1774  746.515    78.712   789.429    113.013  706.085    109.692  79.660  5.8886  75.260  6.0581  4.399757       8.448483 
1 1 1 -9  -36 10 o 13.742  6.1063  -13.8874   40.791   -89.5296   55.458   75.275     60.211   12.372  5.9919  25.052  8.4020  -12.67964      10.31976 
1 1 1 -9  -36 11 o 109.799 4.1259  1475.71    109.920  1426.98    157.915  1521.51    153.097  107.247 6.0936  110.901 5.7088  -3.654076      8.349976 
1 1 1 -9  -36 12 o 102.736 4.1053  1291.31    102.335  1236.44    146.576  1343.49    142.941  99.858  6.0784  104.248 5.6723  -4.390190      8.313954 
1 1 1 -9  -36 13 o 92.764  5.9148  1065.55    132.440  1065.55    132.440  0.0000     0.0000   92.764  5.9148  ?       ?       0.000000       5.914845 
1 1 1 -9  -36 14 o 82.295  5.9502  839.085    118.013  839.085    118.013  0.0000     0.0000   82.295  5.9502  ?       ?       0.000000       5.950160 
1 1 1 -9  -36 15 o 83.647  4.5593  859.103    92.187   910.841    118.017  778.123    147.649  85.854  5.6977  78.669  7.8395  7.184570       9.691250 
1 1 1 -9  -36 16 o 22.193  7.8314  54.247     52.523   45.431     71.201   64.770     77.793   23.120  8.9355  25.427  9.4498  -2.307322      13.00545 
1 1 1 -9  -36 17 o 39.505  7.0854  198.765    65.421   181.626    86.589   221.562    99.864   37.298  9.5320  41.095  10.089  -3.796341      13.88007 
1 1 1 -9  -36 18 o 39.870  6.9763  202.028    65.031   176.843    87.824   232.598    96.759   36.823  9.6958  42.208  9.6571  -5.384140      13.68463 
1 1 1 -9  -36 19 o 64.278  5.6828  511.427    87.719   576.507    118.162  431.533    130.923  67.862  7.2904  57.892  9.6608  9.969929       12.10295 
1 1 1 -9  -36 20 o 34.108  7.7117  149.900    62.325   134.967    84.760   167.479    91.963   32.571  9.8707  35.928  10.118  -3.356922      14.13546 
1 1 1 -9  -36 21 o 94.992  5.4718  1110.82    125.587  1132.50    170.129  1084.87    186.165  95.349  7.4118  92.989  8.3395  2.359604       11.15718 
1 1 1 -9  -36 22 o 74.171  5.5532  678.898    99.216   674.859    134.298  683.751    147.214  73.398  7.6534  73.657  8.3866  -0.2582550     11.35386 
1 1 1 -9  -36 23 o 69.747  5.6637  601.172    95.023   630.947    129.217  566.111    140.221  70.954  7.6251  66.787  8.8724  4.167511       11.69882 
1 1 1 -9  -36 24 o 89.400  5.2730  983.241    113.877  0.0000     0.0000   983.241    113.877  ?       ?       89.400  5.2730  0.000000       5.273033 
1 1 1 -9  -36 25 f 16.668  6.7011  16.301     41.485   0.0000     0.0000   16.301     41.485   ?       ?       16.668  6.7011  0.000000       6.701106 
1 1 1 -9  -36 26 o 67.215  5.2507  557.297    84.954   0.0000     0.0000   557.297    84.954   ?       ?       67.215  5.2507  0.000000       5.250707 
1 1 1 -9  -36 27 o 34.669  5.4557  151.006    44.378   188.652    75.730   131.317    54.767   38.189  8.4009  31.954  7.2323  6.235725       11.08518 
1 1 1 -9  -36 28 o 44.421  4.3212  243.451    45.986   248.568    66.024   238.630    64.087   44.486  6.2922  43.584  6.2381  0.9027061      8.860306 
1 1 1 -9  -36 29 o 18.837  6.2652  41.562     33.488   -10.1333   49.694   84.567     45.325   15.673  6.8600  25.723  7.0516  -10.05031      9.837947 
1 1 1 -9  -36 30 o 78.412  3.7530  750.545    71.406   738.188    101.761  762.531    100.222  77.315  5.4595  78.629  5.2838  -1.313683      7.597661 
1 1 1 -9  -36 31 o 77.211  3.7915  727.979    71.032   754.622    101.654  702.557    99.295   78.173  5.3922  75.398  5.4647  2.775597       7.677121 
1 1 1 -9  -36 32 o 86.714  4.2591  920.095    89.614   849.167    113.945  1035.10    145.093  82.838  5.7037  91.207  6.6008  -8.369110      8.723691 
1 1 1 -9  -36 33 o 93.735  4.3275  1075.86    98.424   1008.83    125.205  1184.28    159.239  90.279  5.7456  97.478  6.7746  -7.199272      8.882979 
1 1 1 -9  -36 34 o 96.673  3.5572  1141.29    83.441   1233.95    128.295  1073.36    109.848  99.987  5.3072  93.364  4.8658  6.622444       7.200117 
1 1 1 -9  -36 35 o 11.695  5.0350  -2.0041    25.867   -84.4798   48.720   30.371     30.524   11.379  5.5355  16.799  5.9657  -5.420239      8.138250 
1 1 1 -9  -36 36 o 66.435  3.5098  540.723    56.377   596.044    90.662   505.846    71.987   69.305  5.4349  64.009  4.6672  5.296394       7.163847 
1 1 1 -9  -36 37 o 58.586  3.6881  421.442    52.160   375.222    83.805   450.667    66.640   54.582  6.4527  60.400  4.5813  -5.818348      7.913647 
1 1 1 -9  -36 38 o 78.623  3.5676  755.998    68.060   705.454    107.660  789.645    87.839   75.196  5.9492  80.031  4.5421  -4.834641      7.484859 
1 1 1 -9  -36 39 o 81.604  5.3990  826.941    106.298  754.085    165.636  877.959    138.605  76.302  9.1277  83.497  6.9033  -7.194435      11.44423 
1 1 1 -9  -36 40 f 56.340  5.6905  397.479    76.725   446.900    124.442  367.172    97.451   58.475  9.0640  53.427  7.7430  5.048149       11.92103 
1 1 1 -9  -36 41 o 69.570  5.4753  603.419    91.679   626.432    145.739  588.348    117.937  69.447  8.8500  68.008  7.2593  1.439240       11.44638 
1 1 1 -9  -36 42 o 90.373  5.4647  1016.63    119.269  1060.88    185.511  985.453    155.717  90.721  8.5276  88.077  7.3535  2.643295       11.26029 
1 1 1 -9  -36 43 o 52.322  3.9497  337.996    49.773   232.861    85.435   392.014    61.240   41.918  8.6853  56.223  4.5274  -14.30485      9.794447 
1 1 1 -9  -36 44 o 64.111  3.8556  506.334    59.699   575.346    100.507  468.712    74.208   67.576  6.1988  61.345  5.0297  6.230801       7.982665 
1 1 1 -9  -36 45 o 36.231  4.9742  165.304    42.574   227.187    74.556   135.361    51.862   41.715  7.6477  32.227  6.8438  9.488598       10.26276 
1 1 1 -9  -36 46 o 69.285  3.8641  591.477    64.703   568.974    107.380  604.305    81.073   66.930  6.7021  69.740  4.8207  -2.809456      8.255756 
1 1 1 -9  -36 47 o 67.861  3.8963  567.900    63.887   412.412    106.183  656.129    79.985   56.286  7.9999  72.749  4.5542  -16.46255      9.205396 
1 1 1 -9  -36 48 o 54.216  5.6659  370.656    73.434   290.310    131.314  407.216    88.579   45.275  11.824  56.492  6.5859  -11.21634      13.53481 
1 1 1 -9  -36 49 o 25.645  8.0260  84.956     55.495   -25.7932   100.665  133.309    66.515   21.252  9.5077  31.518  8.5020  -10.26567      12.75462 
1 1 1 -9  -36 50 o 55.488  6.0096  391.238    79.617   305.800    133.224  438.705    99.300   46.173  11.836  58.257  7.1766  -12.08417      13.84192 
1 1 1 -9  -36 51 o 64.534  4.1175  516.536    64.137   536.462    107.715  505.591    79.832   64.484  6.9965  63.420  5.2346  1.064503       8.738005 
1 1 1 -9  -36 52 o 66.744  4.1304  553.149    66.562   576.472    109.773  539.587    83.707   66.831  6.8671  65.428  5.3187  1.402794       8.685986 
1 1 1 -9  -36 53 o 28.749  6.4992  109.304    44.272   -20.3026   79.234   168.137    53.383   18.841  8.4316  35.877  6.3654  -17.03590      10.56462 
1 1 1 -9  -36 54 o 48.588  4.5196  296.442    52.673   261.884    92.580   312.982    64.049   43.534  9.0592  49.583  5.4117  -6.048412      10.55250 
1 1 1 -9  -36 55 o 23.209  6.6607  71.299     39.472   43.734     77.136   81.077     45.942   22.634  9.1242  24.657  7.2180  -2.022406      11.63402 
1 1 1 -9  -36 56 o 22.827  7.7065  66.466     50.657   120.159    93.870   44.404     60.171   29.714  10.471  21.129  8.2009  8.584826       13.30048 
1 1 1 -9  -36 57 o 17.700  7.5323  9.3857     56.676   -23.8158   84.544   36.485     76.381   19.054  8.6027  21.882  8.9825  -2.827505      12.43750 
1 1 1 -9  -36 58 o 42.479  7.3213  242.643    72.736   229.913    109.690  252.633    97.173   39.103  11.064  41.887  9.7446  -2.784286      14.74343 
1 1 1 -9  -36 59 o 31.667  8.8008  141.543    70.056   122.959    120.962  150.924    85.936   30.437  11.678  32.326  9.9665  -1.888971      15.35240 
1 1 1 -9  -36 60 o 40.391  8.2254  225.328    77.874   88.724     133.327  296.062    95.940   28.834  11.856  45.994  8.9187  -17.15984      14.83572 
1 1 1 -9  -36 61 f 48.006  5.7368  297.672    65.499   162.643    125.236  348.513    76.847   33.357  12.056  51.708  6.2519  -18.35126      13.58091 
1 1 1 -9  -36 62 o 21.003  7.5791  52.339     49.464   -99.0855   98.442   103.481    57.210   17.535  8.3580  27.426  8.0621  -9.890949      11.61259 
1 1 1 -9  -36 63 o 13.791  6.7173  -114.0257  72.377   -235.7929  207.044  -97.0740   77.251   23.233  11.326  15.008  7.2195  8.224204       13.43122 
1 1 1 -9  -36 64 o 45.892  9.3777  301.729    100.896  659.552    249.681  231.895    110.303  59.059  16.686  38.908  11.125  20.15135       20.05479 
1 1 1 -9  -36 65 o 48.623  9.4025  341.332    106.918  452.526    237.451  313.055    119.743  47.074  16.647  45.131  11.028  1.943211       19.96887 
1 1 1 -9  -35 1  o 32.602  5.8165  135.877    44.324   168.900    60.326   97.134     65.342   36.057  7.1479  27.571  8.7204  8.485168       11.27552 
1 1 1 -9  -35 2  o 82.501  4.0258  835.300    80.588   838.856    117.798  832.172    110.489  81.918  5.9675  81.730  5.6054  0.1873474      8.187260 
1 1 1 -9  -35 3  o 21.914  6.7132  60.356     39.061   81.112     54.823   38.955     55.667   25.366  7.9836  20.698  7.9263  4.668701       11.25008 
1 1 1 -9  -35 4  o 21.083  6.6238  55.070     37.757   68.318     51.225   39.309     55.870   23.639  7.7433  20.778  7.9447  2.860636       11.09398 
1 1 1 -9  -35 5  o 44.791  4.5681  248.939    48.952   254.364    70.724   243.951    67.823   44.724  6.7255  43.822  6.5819  0.9013557      9.410258 
1 1 1 -9  -35 6  o 60.546  4.1131  451.054    60.067   448.362    88.937   453.312    81.452   59.833  6.2168  60.334  5.6289  -0.5010567     8.386474 
1 1 1 -9  -35 7  o 36.935  5.0719  170.796    44.254   141.930    64.394   196.633    60.921   32.989  8.1033  39.295  6.6251  -6.305813      10.46691 
1 1 1 -9  -35 8  o 59.231  4.1514  431.409    59.286   397.004    85.912   462.689    81.918   56.280  6.4053  61.028  5.5943  -4.747791      8.504349 
1 1 1 -9  -35 9  o 117.441 4.0477  1686.44    115.344  1682.27    166.711  1690.27    159.755  116.642 5.9097  117.152 5.6200  -0.5107574     8.155334 
1 1 1 -9  -35 10 o 121.698 4.0732  1810.28    120.276  1737.96    173.828  1876.70    166.594  118.560 6.0628  123.514 5.5588  -4.954231      8.225400 
1 1 1 -9  -35 11 o 37.275  5.2570  173.788    46.226   162.359    63.730   186.478    67.151   35.497  7.6266  38.120  7.5271  -2.622643      10.71556 
1 1 1 -9  -35 12 o 111.079 5.7995  1521.31    155.768  1521.31    155.768  0.0000     0.0000   111.079 5.7995  ?       ?       0.000000       5.799483 
1 1 1 -9  -35 13 o 123.108 5.9992  1864.27    179.202  1864.27    179.202  0.0000     0.0000   123.108 5.9992  ?       ?       0.000000       5.999179 
1 1 1 -9  -35 14 o 102.698 4.5063  1289.13    112.291  1278.79    142.343  1306.18    182.721  101.882 5.7819  102.481 7.3980  -0.5984421     9.389330 
1 1 1 -9  -35 15 o 86.031  4.4098  906.438    91.744   1059.47    120.606  696.280    141.337  92.824  5.3779  74.537  7.9369  18.28677       9.587314 
1 1 1 -9  -35 16 o 63.696  3.9666  496.756    61.000   568.885    93.949   444.185    80.206   67.857  5.7605  59.939  5.5790  7.917892       8.019201 
1 1 1 -9  -35 17 o 101.309 3.9068  1251.49    96.035   1417.88    142.556  1113.24    129.946  107.434 5.4869  95.124  5.6555  12.31008       7.879764 
1 1 1 -9  -35 18 o 60.658  4.0542  450.733    59.327   503.385    91.468   412.498    77.946   63.776  5.9807  57.748  5.6346  6.027702       8.216911 
1 1 1 -9  -35 19 o 105.771 5.4766  1373.74    140.071  1382.38    190.103  1363.48    207.176  105.564 7.4701  104.591 8.2300  0.9723892      11.11464 
1 1 1 -9  -35 20 o 104.157 5.5162  1332.30    138.912  1470.52    188.878  1169.46    205.016  108.994 7.1822  96.632  8.8419  12.36217       11.39132 
1 1 1 -9  -35 21 o 77.745  5.4367  743.527    101.912  727.359    139.619  761.964    149.099  76.382  7.6356  78.100  7.9800  -1.718071      11.04461 
1 1 1 -9  -35 22 o 17.430  7.3468  4.6215     53.081   -21.1760   74.374   31.404     75.781   18.794  8.3033  22.565  9.0621  -3.770525      12.29093 
1 1 1 -9  -35 23 o 78.881  8.2628  778.663    155.799  0.0000     0.0000   778.663    155.799  ?       ?       78.881  8.2628  0.000000       8.262758 
1 1 1 -9  -35 24 o 111.522 8.2989  1549.26    222.960  0.0000     0.0000   1549.26    222.960  ?       ?       111.522 8.2989  0.000000       8.298913 
1 1 1 -9  -35 25 o 99.323  5.2838  1210.73    126.880  0.0000     0.0000   1210.73    126.880  ?       ?       99.323  5.2838  0.000000       5.283772 
1 1 1 -9  -35 26 o 54.642  4.3613  366.734    57.342   412.147    91.169   337.012    73.758   57.508  6.6567  52.083  5.9429  5.424877       8.923555 
1 1 1 -9  -35 27 o 94.755  3.7560  1094.36    86.356   1050.65    123.210  1136.57    121.069  92.435  5.5186  96.222  5.2049  -3.787460      7.585913 
1 1 1 -9  -35 28 o 63.263  3.8494  489.782    58.809   406.971    84.315   568.234    82.066   57.230  6.1694  67.968  5.0116  -10.73798      7.948402 
1 1 1 -9  -35 29 o 87.201  3.7548  927.113    79.446   890.534    112.719  963.221    111.991  85.053  5.4912  88.526  5.2370  -3.472740      7.588124 
1 1 1 -9  -35 30 o 95.018  3.7877  1101.09    87.326   1117.16    124.637  1085.60    122.388  95.300  5.4123  93.945  5.3917  1.354988       7.639587 
1 1 1 -9  -35 31 o 114.398 3.9338  1597.14    109.193  1559.50    156.128  1633.18    152.771  112.528 5.7372  115.367 5.4575  -2.839264      7.918355 
1 1 1 -9  -35 32 o 114.012 3.7456  1585.92    103.617  1489.15    156.976  1660.64    137.937  109.868 5.9101  116.439 4.8822  -6.570305      7.665889 
1 1 1 -9  -35 33 o 36.562  4.2162  165.514    36.718   189.143    60.816   151.959    46.061   38.585  6.7413  34.726  5.6616  3.858341       8.803344 
1 1 1 -9  -35 34 o 119.203 3.7626  1734.80    108.827  1814.22    165.352  1674.11    144.548  121.434 5.6118  116.792 5.1008  4.642296       7.583572 
1 1 1 -9  -35 35 o 108.740 3.6772  1443.72    97.021   1458.29    148.078  1432.76    128.428  108.684 5.6345  108.061 4.8981  0.6227341      7.465833 
1 1 1 -9  -35 36 o 55.646  3.6397  379.741    48.872   411.213    79.378   360.527    62.021   57.468  5.7706  54.000  4.7830  3.467575       7.495083 
1 1 1 -9  -35 37 o 40.112  4.2010  199.124    40.281   207.101    68.757   194.954    49.704   40.170  7.3241  39.449  5.3290  0.7209129      9.057662 
1 1 1 -9  -35 38 o 53.510  3.7675  351.839    48.603   308.378    79.174   378.121    61.570   49.355  6.7912  55.308  4.6306  -5.952473      8.219629 
1 1 1 -9  -35 39 o 46.900  3.9174  271.118    44.171   236.546    74.055   290.210    55.032   42.916  7.3776  48.362  4.7511  -5.445683      8.775106 
1 1 1 -9  -35 40 o 28.700  7.3373  107.174    51.292   65.598     84.067   131.830    64.739   25.776  9.7717  31.704  8.3133  -5.928514      12.82952 
1 1 1 -9  -35 41 o 23.119  8.2461  59.675     58.383   0.0000     0.0000   59.675     58.383   ?       ?       23.119  8.2461  0.000000       8.246144 
1 1 1 -9  -35 42 o 74.785  5.4327  695.819    97.908   763.864    154.890  650.537    126.354  77.087  8.4177  71.548  7.3844  5.538361       11.19768 
1 1 1 -9  -35 43 o 32.480  7.3756  137.936    56.801   264.139    97.873   73.843     69.748   44.546  9.3529  25.354  9.0163  19.19170       12.99116 
1 1 1 -9  -35 44 o 18.349  6.1498  39.796     32.257   -4.4660    59.105   58.571     38.495   17.424  7.5560  21.593  6.6727  -4.169043      10.08053 
1 1 1 -9  -35 45 o 47.517  4.2889  279.961    48.916   179.607    81.740   335.954    61.056   36.613  9.2094  51.926  4.9040  -15.31273      10.43375 
1 1 1 -9  -35 46 o 48.475  4.1988  291.121    48.899   268.697    83.933   302.642    60.164   45.389  7.9086  49.191  5.1154  -3.802532      9.418784 
1 1 1 -9  -35 47 o 59.914  3.9429  442.862    57.000   470.098    93.939   426.991    71.711   60.916  6.4538  58.499  5.1032  2.417027       8.227595 
1 1 1 -9  -35 48 o 50.231  5.9905  319.440    71.573   425.378    125.316  268.154    87.193   56.501  9.4764  45.124  8.2683  11.37735       12.57645 
1 1 1 -9  -35 49 o 47.471  6.2941  287.384    70.711   232.938    125.570  312.667    85.567   40.686  11.940  49.113  7.4109  -8.427502      14.05263 
1 1 1 -9  -35 50 o 23.291  7.9651  65.723     54.121   -28.1041   93.007   113.760    66.549   20.302  9.1066  29.282  8.7178  -8.979939      12.60676 
1 1 1 -9  -35 51 o 34.221  5.6298  150.045    45.120   177.479    78.462   136.491    55.152   36.139  8.9859  32.122  7.2483  4.017414       11.54484 
1 1 1 -9  -35 52 o 29.708  6.2902  115.442    43.929   135.528    73.554   104.304    54.771   31.579  9.1011  27.972  7.7844  3.606834       11.97614 
1 1 1 -9  -35 53 o 59.371  4.1753  438.251    59.766   475.392    104.453  420.173    72.874   60.432  7.2692  57.721  5.2611  2.711727       8.973339 
1 1 1 -9  -35 54 o 42.685  4.9244  230.349    50.067   180.439    89.990   252.724    60.253   35.802  9.9834  44.435  5.7214  -8.633118      11.50665 
1 1 1 -9  -35 55 o 32.342  5.6787  135.640    42.938   55.334     83.197   164.797    50.131   24.109  9.5570  35.598  6.0184  -11.48923      11.29413 
1 1 1 -9  -35 56 o 43.990  5.6146  248.450    58.562   219.008    107.851  260.760    69.739   38.645  10.984  44.613  6.6451  -5.968838      12.83734 
1 1 1 -9  -35 57 o 27.710  7.3379  104.080    50.117   97.935     95.762   106.398    58.814   27.968  10.467  27.889  8.1675  0.7879829E-01  13.27626 
1 1 1 -9  -35 58 o 35.692  6.6931  169.404    55.834   159.256    104.118  173.500    66.150   33.133  11.049  35.592  7.8688  -2.459656      13.56428 
1 1 1 -9  -35 59 o 13.892  6.5360  -52.1266   56.577   -182.5757  95.789   17.762     70.113   14.915  7.3576  19.913  8.4214  -4.998340      11.18273 
1 1 1 -9  -35 60 o 31.624  8.8048  140.483    70.053   137.548    121.247  141.954    85.828   31.594  11.786  31.544  9.9962  0.4977798E-01  15.45455 
1 1 1 -9  -35 61 o 44.013  5.9157  251.245    61.576   387.471    118.221  200.529    72.134   52.364  9.6606  38.235  8.0307  14.12875       12.56265 
1 1 1 -9  -35 62 o 22.116  7.7688  60.340     51.638   60.543     102.851  60.272     59.710   25.595  10.455  22.619  8.3018  2.976662       13.35044 
1 1 1 -9  -35 63 o 21.798  9.1711  27.614     82.462   -19.7566   222.079  35.189     88.811   29.205  13.470  22.853  9.5605  6.351332       16.51824 
1 1 1 -9  -35 64 o 41.252  9.8934  247.463    97.750   152.223    245.787  265.357    106.538  35.071  15.306  42.374  10.432  -7.303699      18.52291 
1 1 1 -9  -35 65 o 31.619  10.303  146.862    90.729   240.313    218.870  127.471    99.699   37.611  15.295  29.956  10.766  7.654646       18.70433 
1 1 1 -9  -34 1  o 75.664  4.0823  704.098    74.671   681.034    108.498  724.853    102.923  73.794  6.1146  76.328  5.5963  -2.533813      8.288998 
1 1 1 -9  -34 2  o 23.011  6.4191  67.802     37.196   69.350     50.300   65.934     55.253   23.735  7.6665  23.623  8.0481  0.1121330      11.11515 
1 1 1 -9  -34 3  o 68.003  4.0186  568.195    66.015   633.335    96.418   510.712    90.573   71.397  5.6108  63.986  5.9003  7.411045       8.142155 
1 1 1 -9  -34 4  o 60.953  4.4411  457.893    65.231   445.081    101.970  466.768    84.869   59.334  7.2324  61.218  5.7820  -1.883717      9.259501 
1 1 1 -9  -34 5  o 64.869  4.0753  516.777    63.818   474.712    92.156   555.537    88.463   61.650  6.2469  66.944  5.4945  -5.294491      8.319459 
1 1 1 -9  -34 6  o 103.113 3.9568  1299.48    98.998   1302.28    144.680  1297.02    135.756  102.625 5.8343  102.532 5.4766  0.9336090E-01  8.002007 
1 1 1 -9  -34 7  o 34.038  5.2932  145.534    42.295   207.721    61.407   89.405     58.340   40.532  6.4609  26.703  8.2083  13.82886       10.44600 
1 1 1 -9  -34 8  o 20.904  6.5523  53.510     36.970   46.530     50.980   61.253     53.692   21.178  7.6864  23.109  7.9327  -1.930565      11.04575 
1 1 1 -9  -34 9  o 87.574  3.9076  935.940    83.033   928.126    120.537  942.997    114.545  86.726  5.7608  87.504  5.4216  -0.7781906     7.910791 
1 1 1 -9  -34 10 o 84.944  4.9982  886.311    102.563  865.005    141.594  909.829    148.765  83.403  7.0631  85.499  7.2389  -2.096298      10.11381 
1 1 1 -9  -34 11 o 62.962  5.8090  490.482    87.745   490.482    87.745   0.0000     0.0000   62.962  5.8090  ?       ?       0.000000       5.809038 
1 1 1 -9  -34 12 o 46.493  6.8414  271.643    74.872   271.643    74.872   0.0000     0.0000   46.493  6.8414  ?       ?       0.000000       6.841419 
1 1 1 -9  -34 13 o 103.728 3.9465  1311.63    99.329   1233.11    141.491  1387.93    139.475  100.124 5.8495  106.342 5.4234  -6.218216      7.976887 
1 1 1 -9  -34 14 o 98.937  3.7966  1192.61    91.142   1197.23    133.971  1188.64    124.355  98.725  5.6159  98.450  5.2244  0.2743759      7.670267 
1 1 1 -9  -34 15 o 145.985 4.2033  2598.53    148.891  2548.98    214.390  2644.69    206.934  144.182 6.1282  146.943 5.8039  -2.761871      8.440354 
1 1 1 -9  -34 16 o 96.345  3.8492  1130.73    89.984   1160.05    133.704  1106.46    121.659  97.191  5.6945  94.989  5.2996  2.201607       7.779014 
1 1 1 -9  -34 17 o 138.926 4.1478  2352.28    139.818  2572.89    203.178  2153.84    192.702  144.984 5.7755  132.609 5.9889  12.37511       8.320111 
1 1 1 -9  -34 18 o 60.413  4.0458  446.647    58.963   398.687    91.017   481.331    77.400   56.602  6.7609  62.565  5.1441  -5.963100      8.495381 
1 1 1 -9  -34 19 o 77.605  3.8447  733.425    72.396   791.853    109.336  687.807    96.609   80.269  5.6498  74.834  5.3559  5.435112       7.784983 
1 1 1 -9  -34 20 o 68.015  4.4686  566.460    73.336   534.197    98.703   606.221    109.574  65.742  6.2633  70.019  6.5247  -4.276840      9.044365 
1 1 1 -9  -34 21 o 95.747  5.4312  1123.97    125.658  1105.88    171.279  1145.07    184.919  94.515  7.5311  96.063  8.0063  -1.547798      10.99173 
1 1 1 -9  -34 22 o 96.136  8.1089  1147.45    187.386  0.0000     0.0000   1147.45    187.386  ?       ?       96.136  8.1089  0.000000       8.108851 
1 1 1 -9  -34 23 o 59.741  8.8845  450.610    124.865  0.0000     0.0000   450.610    124.865  ?       ?       59.741  8.8845  0.000000       8.884469 
1 1 1 -9  -34 24 o 78.270  8.2620  764.106    154.536  0.0000     0.0000   764.106    154.536  ?       ?       78.270  8.2620  0.000000       8.261971 
1 1 1 -9  -34 25 o 44.180  7.2893  246.133    75.415   233.242    107.127  258.799    106.185  42.428  10.470  44.761  10.026  -2.333591      14.49611 
1 1 1 -9  -34 26 o 139.595 5.8413  2385.60    197.855  2247.73    270.108  2545.23    290.638  134.642 8.3084  143.273 8.3970  -8.631256      11.81268 
1 1 1 -9  -34 27 o 91.917  3.7508  1028.94    83.654   1152.73    119.960  911.752    116.716  96.997  5.1151  86.141  5.6148  10.85574       7.595390 
1 1 1 -9  -34 28 o 143.928 4.1708  2525.55    145.656  2456.58    207.125  2593.02    204.870  141.571 6.0297  145.504 5.8028  -3.933243      8.368369 
1 1 1 -9  -34 29 o 93.554  3.7690  1066.28    85.558   1019.31    122.188  1111.46    119.840  91.084  5.5552  95.197  5.2079  -4.113220      7.614639 
1 1 1 -9  -34 30 o 100.598 3.7976  1233.19    92.697   1207.33    132.596  1257.92    129.639  99.142  5.5341  101.256 5.2950  -2.114113      7.659155 
1 1 1 -9  -34 31 o 48.904  3.7217  293.118    43.831   289.985    70.249   295.115    56.088   48.223  6.1432  48.911  4.7874  -0.6883278     7.788369 
1 1 1 -9  -34 32 o 60.511  3.5648  447.674    52.109   403.224    82.385   477.314    67.276   56.989  6.0505  62.355  4.4763  -5.365791      7.526350 
1 1 1 -9  -34 33 o 80.693  3.4989  793.444    68.506   855.557    107.191  750.557    89.069   83.386  5.3257  78.203  4.7161  5.183662       7.113634 
1 1 1 -9  -34 34 o 88.784  3.5492  960.935    76.459   861.296    118.121  1032.79    100.308  83.511  5.8666  91.910  4.4979  -8.398605      7.392402 
1 1 1 -9  -34 35 f 11.822  5.1222  -3.7149    27.116   31.537     50.691   -17.8452   32.093   19.528  7.5417  11.661  5.2793  7.866749       9.205853 
1 1 1 -9  -34 36 o 36.180  5.5691  164.534    47.321   181.525    63.469   143.267    71.007   37.664  7.2076  33.216  8.7050  4.448318       11.30158 
1 1 1 -9  -34 37 o 107.038 3.6865  1398.80    95.745   1442.73    147.451  1366.77    125.898  108.110 5.6406  105.548 4.9159  2.562576       7.482160 
1 1 1 -9  -34 38 o 61.806  3.6300  468.061    54.199   564.562    87.434   407.839    69.070   67.526  5.3810  57.412  5.0084  10.11374       7.351141 
1 1 1 -9  -34 39 o 56.708  3.7033  394.626    50.677   403.897    83.238   389.165    63.881   56.823  6.1344  56.111  4.7363  0.7124672      7.750093 
1 1 1 -9  -34 40 o 68.180  3.6181  569.695    59.640   667.944    96.684   509.347    75.775   73.388  5.4689  64.180  4.9030  9.208206       7.344921 
1 1 1 -9  -34 41 o 20.562  7.3996  45.439     47.110   78.488     82.990   29.726     57.223   26.828  9.7963  20.038  7.9315  6.789949       12.60462 
1 1 1 -9  -34 42 o 73.913  5.4217  678.586    96.556   728.784    152.526  645.017    124.731  75.390  8.4856  71.380  7.3046  4.009529       11.19656 
1 1 1 -9  -34 43 o 74.358  5.4638  687.628    97.889   657.534    154.713  707.718    126.408  71.160  9.1741  74.848  7.0432  -3.688385      11.56589 
1 1 1 -9  -34 44 o 94.467  4.1904  1095.94    96.050   1021.59    194.553  1119.91    110.449  88.812  9.1597  95.201  4.7968  -6.389374      10.33971 
1 1 1 -9  -34 45 o 66.716  3.8267  547.454    61.688   519.930    101.634  563.508    77.621   64.146  6.6253  67.438  4.7745  -3.292480      8.166425 
1 1 1 -9  -34 46 o 27.171  6.1744  95.587     39.782   165.804    67.120   57.562     49.393   35.488  7.9875  22.132  7.6079  13.35602       11.03086 
1 1 1 -9  -34 47 o 68.252  3.9746  573.842    65.537   551.574    105.854  587.683    83.455   65.998  6.7032  68.761  5.0370  -2.763329      8.384771 
1 1 1 -9  -34 48 f 20.474  6.7214  50.978     38.588   26.141     64.319   64.945     48.233   20.437  8.2990  22.949  7.5136  -2.512112      11.19498 
1 1 1 -9  -34 49 o 76.977  5.4221  739.772    100.624  821.112    171.444  697.028    124.282  79.189  9.0872  74.016  7.0035  5.172920       11.47285 
1 1 1 -9  -34 50 o 14.217  6.5120  -31.9537   50.678   -165.6279  83.305   46.579     63.852   14.066  6.9240  22.121  8.4849  -8.054761      10.95150 
1 1 1 -9  -34 51 o 67.960  5.6966  580.911    93.069   520.816    163.107  609.924    113.329  61.238  11.396  69.116  6.8478  -7.877888      13.29556 
1 1 1 -9  -34 52 o 34.437  5.3161  151.068    42.990   145.815    77.307   153.420    51.726   32.768  9.2942  34.357  6.4414  -1.589161      11.30812 
1 1 1 -9  -34 53 o 50.805  4.3873  321.827    53.553   350.700    95.836   308.719    64.575   51.588  7.9085  49.381  5.4819  2.207123       9.622642 
1 1 1 -9  -34 54 o 60.794  4.1888  459.459    61.413   440.469    108.039  468.523    74.645   57.794  7.9121  61.050  5.0853  -3.256214      9.405370 
1 1 1 -9  -34 55 o 61.574  4.2871  472.463    63.652   421.479    114.483  495.275    76.579   55.907  8.7243  62.723  5.0753  -6.815807      10.09314 
1 1 1 -9  -34 56 o 64.541  4.3851  520.277    68.264   463.053    122.992  545.754    82.065   58.315  8.9804  65.740  5.1869  -7.424438      10.37070 
1 1 1 -9  -34 57 o 47.030  5.5640  283.201    62.263   182.356    122.179  318.576    72.364   35.315  11.968  49.645  6.1380  -14.33078      13.45030 
1 1 1 -9  -34 58 o 20.733  7.6251  48.520     50.409   30.921     103.660  53.971     57.690   23.967  10.192  21.890  8.1372  2.076603       13.04227 
1 1 1 -9  -34 59 o 13.979  6.5466  -47.8120   55.652   -32.8488   121.124  -51.8161   62.657   22.366  10.177  14.865  6.9565  7.501781       12.32720 
1 1 1 -9  -34 60 o 61.239  6.9840  492.836    101.920  505.061    172.592  486.291    126.292  57.255  12.751  59.355  9.0558  -2.100155      15.63927 
1 1 1 -9  -34 61 o 61.442  5.3368  480.386    78.772   521.828    182.076  470.843    87.372   57.736  13.274  60.436  6.0390  -2.700417      14.58359 
1 1 1 -9  -34 62 o 16.573  7.0377  7.3700     49.289   64.171     113.594  -5.8047    54.708   26.603  10.941  16.348  7.1757  10.25477       13.08449 
1 1 1 -9  -34 63 o 24.118  8.0519  75.747     55.294   153.211    122.159  55.786     62.011   32.842  11.902  22.354  8.4114  10.48760       14.57391 
1 1 1 -9  -34 64 o 27.085  10.111  92.246     89.245   23.278     237.980  103.532    96.271   31.125  14.202  28.276  10.512  2.849260       17.66866 
1 1 1 -9  -34 65 o 36.716  10.537  201.154    98.787   176.771    271.621  204.871    106.049  36.222  15.942  36.793  11.017  -0.5713921     19.37794 
1 1 1 -9  -33 1  o 60.578  6.6105  460.990    95.588   414.546    182.496  478.549    112.212  54.641  13.770  61.369  7.7057  -6.728222      15.77949 
1 1 1 -9  -33 2  o 74.917  6.2292  699.075    112.207  626.094    206.796  729.526    133.581  68.032  13.002  76.174  7.3173  -8.142517      14.91924 
1 1 1 -9  -33 3  o 66.381  6.3881  549.788    101.620  579.916    188.457  537.436    120.665  65.950  12.227  65.193  7.7819  0.7572174      14.49347 
1 1 1 -9  -33 4  o 63.487  6.3560  502.468    96.595   643.483    183.655  448.539    113.574  70.186  11.158  59.449  8.0832  10.73708       13.77791 
1 1 1 -9  -33 5  o 39.345  7.8351  198.932    72.172   150.843    148.275  213.862    82.619   36.330  13.120  40.639  8.6444  -4.309109      15.71210 
1 1 1 -9  -33 6  o 136.629 6.0723  2296.75    201.308  2645.78    324.245  2077.83    256.793  145.045 9.2614  128.955 8.2502  16.08990       12.40321 
1 1 1 -9  -33 7  f 199.670 7.1561  4925.04    346.700  5230.30    524.488  4688.14    462.043  203.307 10.669  193.011 9.8992  10.29541       14.55438 
1 1 1 -9  -33 8  o 57.412  6.6817  411.005    91.339   471.304    165.528  384.607    109.522  60.039  11.783  55.062  8.4689  4.976719       14.51095 
1 1 1 -9  -33 9  o 25.884  8.7346  78.092     65.076   89.038     135.350  74.801     74.217   31.842  12.316  26.195  9.3023  5.646635       15.43433 
1 1 1 -9  -33 10 o 55.633  6.0845  383.884    80.794   383.884    80.794   0.0000     0.0000   55.633  6.0845  ?       ?       0.000000       6.084477 
1 1 1 -9  -33 11 o 19.653  7.5045  33.069     49.810   33.069     49.810   0.0000     0.0000   19.653  7.5045  ?       ?       0.000000       7.504491 
1 1 1 -9  -33 12 o 157.473 4.3863  3023.49    167.598  2972.24    239.634  3072.56    234.489  155.712 6.3425  158.379 6.1018  -2.666840      8.801145 
1 1 1 -9  -33 13 o 185.438 4.7050  4194.67    211.702  4528.14    303.837  3880.01    295.138  192.190 6.5155  177.811 6.8407  14.37962       9.447056 
1 1 1 -9  -33 14 o 99.746  3.7848  1211.15    91.601   1312.69    135.165  1124.91    124.569  103.524 5.3997  95.817  5.3798  7.707817       7.622231 
1 1 1 -9  -33 15 o 269.397 5.9708  8876.67    390.292  9466.87    555.323  8300.58    548.651  277.188 8.2567  259.323 8.7195  17.86484       12.00846 
1 1 1 -9  -33 16 o 145.148 4.1688  2565.87    146.822  2832.53    212.156  2320.78    203.395  152.241 5.7433  137.742 6.0857  14.49893       8.367831 
1 1 1 -9  -33 17 o 62.756  3.7976  481.046    57.555   490.658    86.729   473.480    76.938   63.116  5.7255  62.082  5.1541  1.033962       7.703666 
1 1 1 -9  -33 18 o 80.474  3.7521  788.044    73.265   826.228    108.494  756.035    99.336   82.082  5.4790  78.538  5.2428  3.543236       7.583277 
1 1 1 -9  -33 19 o 61.268  4.0458  458.957    59.806   415.678    93.308   489.134    77.915   57.871  6.7731  63.115  5.1322  -5.243855      8.497897 
1 1 1 -9  -33 20 o 48.775  5.0011  293.136    58.350   312.623    82.038   273.185    83.009   50.047  6.9427  46.589  7.6055  3.458122       10.29781 
1 1 1 -9  -33 21 o 40.081  6.2923  201.148    59.179   0.0000     0.0000   201.148    59.179   ?       ?       40.081  6.2923  0.000000       6.292269 
1 1 1 -9  -33 22 o 49.551  5.6515  303.683    66.733   0.0000     0.0000   303.683    66.733   ?       ?       49.551  5.6515  0.000000       5.651535 
1 1 1 -9  -33 23 o 68.006  8.4407  577.815    136.285  0.0000     0.0000   577.815    136.285  ?       ?       68.006  8.4407  0.000000       8.440705 
1 1 1 -9  -33 24 o 78.644  5.5999  759.114    106.160  819.094    146.373  692.549    154.200  81.347  7.5002  74.474  8.6971  6.873077       11.48441 
1 1 1 -9  -33 25 o 68.977  5.3986  584.358    89.634   453.601    119.744  750.994    135.177  60.124  8.4405  77.913  7.2329  -17.78871      11.11562 
1 1 1 -9  -33 26 o 145.770 5.9556  2598.19    210.647  2644.35    288.517  2545.49    308.262  146.343 8.1577  143.333 8.9076  3.009888       12.07865 
1 1 1 -9  -33 27 o 268.363 8.5200  8881.89    554.784  8778.44    774.590  8990.85    794.974  264.642 12.063  267.698 12.239  -3.056213      17.18443 
1 1 1 -9  -33 28 o 108.181 4.3472  1426.16    114.111  1424.39    194.360  1427.09    140.964  107.392 7.5060  108.090 5.3747  -0.6979294     9.231896 
1 1 1 -9  -33 29 f 189.811 4.7489  4395.16    218.714  4402.60    310.595  4387.85    308.037  189.438 6.7571  189.135 6.7122  0.3036957      9.524323 
1 1 1 -9  -33 30 o 130.499 3.8201  2073.84    120.962  2200.31    180.485  1970.71    162.983  134.141 5.5452  126.994 5.2893  7.146255       7.663256 
1 1 1 -9  -33 31 o 15.332  5.7167  21.826     28.515   22.075     49.073   21.699     35.037   18.428  7.3288  16.322  6.2793  2.106171       9.650988 
1 1 1 -9  -33 32 o 56.645  3.6320  392.345    49.656   371.260    79.725   405.708    63.471   54.696  6.1117  57.474  4.5896  -2.777809      7.643124 
1 1 1 -9  -33 33 o 31.588  4.7339  124.530    35.165   92.817     60.421   140.775    43.244   27.308  8.3467  33.480  5.5154  -6.172174      10.00429 
1 1 1 -9  -33 34 o 57.178  3.6252  399.928    50.035   386.725    80.250   408.325    63.998   55.816  6.0208  57.633  4.6152  -1.816414      7.586192 
1 1 1 -9  -33 35 o 191.360 4.6598  4476.56    216.361  4647.21    317.819  4329.17    295.372  194.167 6.7459  187.514 6.4919  6.652481       9.362273 
1 1 1 -9  -33 36 f 127.673 4.6159  1993.52    142.993  2048.37    180.663  1901.54    233.962  129.128 5.7662  123.531 7.8463  5.596794       9.737190 
1 1 1 -9  -33 37 o 41.422  4.0994  211.594    40.661   215.544    68.163   209.412    50.662   41.185  7.0760  41.002  5.2098  0.1822243      8.786999 
1 1 1 -9  -33 38 o 60.193  3.6380  443.713    52.885   506.144    86.058   405.830    67.037   63.916  5.6056  57.340  4.8642  6.575958       7.421813 
1 1 1 -9  -33 39 o 71.672  3.5769  626.982    62.204   672.397    99.844   598.173    79.522   73.691  5.6265  69.694  4.7305  3.997566       7.350842 
1 1 1 -9  -33 40 o 67.219  3.6338  553.438    59.048   622.389    95.983   511.453    74.898   70.844  5.6302  64.373  4.8303  6.470490       7.418320 
1 1 1 -9  -33 41 o 61.727  3.7149  467.375    55.380   447.735    91.215   478.841    69.697   59.772  6.3882  62.293  4.6445  -2.520546      7.898162 
1 1 1 -9  -33 42 o 69.461  5.4456  598.872    91.045   551.318    144.364  630.276    117.317  65.198  9.3970  70.791  6.9184  -5.593185      11.66912 
1 1 1 -9  -33 43 o 102.283 5.4838  1296.23    135.601  1423.30    208.447  1203.00    178.544  105.877 8.1773  97.593  7.5998  8.283539       11.16356 
1 1 1 -9  -33 44 o 159.050 6.3601  3149.62    245.451  3000.66    364.514  3273.19    332.000  152.216 9.9237  160.284 8.5676  -8.068207      13.11040 
1 1 1 -9  -33 45 o 25.434  6.0647  83.559     36.901   106.920    65.998   72.935     44.507   28.765  8.7084  23.924  7.1309  4.841696       11.25553 
1 1 1 -9  -33 46 o 40.551  4.7016  205.171    45.403   227.138    73.992   191.904    57.501   41.865  7.5622  38.771  6.3308  3.094501       9.862392 
1 1 1 -9  -33 47 o 85.242  3.8334  890.891    79.288   848.321    127.183  917.954    101.405  82.175  6.4298  86.120  4.8728  -3.944366      8.067635 
1 1 1 -9  -33 48 o 94.614  3.9323  1098.57    90.274   977.774    144.133  1176.55    115.801  88.033  6.8004  97.487  4.9113  -9.454414      8.388469 
1 1 1 -9  -33 49 f 82.155  5.5192  841.740    109.383  768.955    179.796  884.510    137.823  76.235  9.9577  83.622  6.8528  -7.386505      12.08790 
1 1 1 -9  -33 50 o 85.968  5.5102  922.355    114.334  892.501    193.800  938.293    141.602  82.070  9.9344  86.072  6.8365  -4.002007      12.05949 
1 1 1 -9  -33 51 o 60.070  5.5345  452.894    79.760   445.978    144.103  455.948    95.767   57.107  10.795  59.814  6.7146  -2.706921      12.71312 
1 1 1 -9  -33 52 o 85.748  3.9229  904.828    81.621   1021.58    138.031  842.054    101.212  89.880  6.3705  82.174  5.1013  7.705780       8.161293 
1 1 1 -9  -33 53 o 66.819  4.0787  552.641    65.811   592.040    114.222  533.063    80.520   67.883  7.0369  65.246  5.1274  2.636780       8.706805 
1 1 1 -9  -33 54 o 90.315  4.0396  1006.97    88.523   1176.07    150.670  917.831    109.396  96.105  6.4995  85.547  5.2963  10.55851       8.384160 
1 1 1 -9  -33 55 o 27.579  6.6670  100.630    44.122   122.239    88.713   93.528     50.858   30.290  10.198  26.519  7.5443  3.771013       12.68557 
1 1 1 -9  -33 56 o 18.966  6.7787  40.827     39.472   61.043     85.277   35.315     44.529   24.789  9.7235  18.803  7.1158  5.986137       12.04907 
1 1 1 -9  -33 57 o 32.142  7.3665  138.941    56.221   259.366    114.794  100.940    64.484   42.180  11.075  27.424  8.6618  14.75669       14.05986 
1 1 1 -9  -33 58 o 39.580  6.5833  205.762    61.004   269.906    121.337  184.063    70.572   42.640  11.475  36.702  8.1381  5.938126       14.06785 
1 1 1 -9  -33 59 o 46.370  5.7146  276.426    62.936   236.743    126.822  289.392    72.492   39.536  12.094  47.075  6.5217  -7.539478      13.74027 
1 1 1 -9  -33 60 o 37.273  8.7445  193.229    77.721   144.232    147.947  211.905    91.340   32.990  12.844  38.543  9.7575  -5.553299      16.13004 
1 1 1 -9  -33 61 o 61.880  6.9809  501.690    102.983  528.718    183.102  489.184    124.551  58.379  13.232  59.817  8.8483  -1.438751      15.91785 
1 1 1 -9  -33 62 o 34.471  7.3703  160.103    59.778   299.886    123.682  117.497    68.283   45.008  11.333  29.215  8.8609  15.79330       14.38543 
1 1 1 -9  -33 63 o 15.871  6.9187  -3.1400    50.093   -72.1401   111.992  14.118     56.008   20.046  9.3546  18.052  7.5746  1.993982       12.03668 
1 1 1 -9  -33 64 o 33.232  10.831  159.798    100.270  156.355    240.137  160.526    110.350  35.768  15.369  33.296  11.374  2.471741       19.12002 
1 1 1 -9  -33 65 o 27.683  10.507  96.044     97.276   -139.2701  263.917  133.039    104.644  28.346  13.559  30.805  11.034  -2.458975      17.48130 
1 1 1 -9  -32 1  o 45.239  7.7056  261.623    81.551   309.730    166.027  246.326    93.624   47.777  13.645  43.467  9.1655  4.309250       16.43722 
1 1 1 -9  -32 2  o 115.629 5.9569  1650.79    166.560  1833.42    277.190  1547.58    208.374  120.262 9.5786  111.269 7.7667  8.992935       12.33170 
1 1 1 -9  -32 3  o 82.387  5.9380  839.006    117.907  742.387    209.091  884.055    142.772  75.434  11.811  84.269  7.0472  -8.834877      13.75384 
1 1 1 -9  -32 4  o 64.882  6.3230  522.773    98.279   712.946    180.426  442.545    117.190  74.649  10.230  59.102  8.4090  15.54614       13.24282 
1 1 1 -9  -32 5  o 187.151 6.8782  4316.11    312.341  4593.05    477.509  4109.01    412.928  190.957 10.344  181.156 9.4267  9.800934       13.99537 
1 1 1 -9  -32 6  o 35.338  8.1415  160.567    68.372   166.717    147.036  158.870    77.230   37.686  13.117  35.095  9.0202  2.590839       15.91874 
1 1 1 -9  -32 7  o 135.429 6.0591  2248.32    199.106  2537.09    315.633  2057.46    256.603  142.646 9.1678  128.737 8.2583  13.90926       12.33885 
1 1 1 -9  -32 8  o 160.413 6.4588  3156.26    251.393  3126.35    385.706  3178.35    331.473  158.113 10.107  160.099 8.5639  -1.985825      13.24698 
1 1 1 -9  -32 9  o 111.858 9.6147  1563.13    258.419  1563.13    258.419  0.0000     0.0000   111.858 9.6147  ?       ?       0.000000       9.614715 
1 1 1 -9  -32 10 o 164.384 10.019  3366.04    397.726  3366.04    397.726  0.0000     0.0000   164.384 10.019  ?       ?       0.000000       10.01934 
1 1 1 -9  -32 11 o 116.358 5.8694  1659.14    165.179  1542.76    259.780  1738.12    214.014  111.220 9.7241  118.743 7.4660  -7.523506      12.25960 
1 1 1 -9  -32 12 o 47.673  6.3319  282.804    71.433   367.609    145.823  256.028    81.937   53.319  11.601  45.034  7.7798  8.285000       13.96832 
1 1 1 -9  -32 13 f 132.342 4.7474  2134.54    152.445  2401.83    293.450  2035.75    178.408  139.373 8.7213  129.114 5.6948  10.25923       10.41594 
1 1 1 -9  -32 14 o 223.456 5.2404  6090.54    284.133  6526.65    405.600  5670.30    398.153  230.755 7.2441  214.963 7.6335  15.79166       10.52362 
1 1 1 -9  -32 15 o 28.337  5.5126  101.312    36.539   116.844    58.608   91.437     46.733   30.298  7.8932  26.845  7.0749  3.453075       10.59982 
1 1 1 -9  -32 16 o 145.454 4.1510  2575.07    146.500  2799.52    211.511  2368.10    203.109  151.436 5.7563  139.240 6.0118  12.19571       8.323206 
1 1 1 -9  -32 17 o 137.700 4.0726  2307.45    136.073  2537.72    196.794  2096.50    188.357  144.208 5.6242  131.032 5.9243  13.17622       8.168769 
1 1 1 -9  -32 18 o 164.140 4.3844  3280.06    174.617  3478.89    250.340  3091.67    243.686  168.763 6.1135  159.058 6.3141  9.705032       8.788741 
1 1 1 -9  -32 19 o 34.984  4.7564  151.801    39.328   164.620    62.703   143.486    50.496   36.010  7.4230  33.718  6.4063  2.292625       9.805243 
1 1 1 -9  -32 20 o 181.123 8.9659  4037.66    394.034  0.0000     0.0000   4037.66    394.034  ?       ?       181.123 8.9659  0.000000       8.965921 
1 1 1 -9  -32 21 o 186.225 6.5144  4239.51    294.356  0.0000     0.0000   4239.51    294.356  ?       ?       186.225 6.5144  0.000000       6.514352 
1 1 1 -9  -32 22 o 45.582  5.9751  257.953    64.494   0.0000     0.0000   257.953    64.494   ?       ?       45.582  5.9751  0.000000       5.975136 
1 1 1 -9  -32 23 o 166.287 4.4444  3366.73    179.321  3534.38    257.699  3209.33    249.687  170.080 6.2444  162.051 6.3501  8.028870       8.905978 
1 1 1 -9  -32 24 o 142.618 4.1028  2475.30    141.977  2394.96    201.943  2553.82    199.647  140.048 5.9428  144.657 5.6880  -4.609375      8.226175 
1 1 1 -9  -32 25 o 145.423 5.8861  2582.27    207.693  2481.04    284.201  2698.31    304.270  141.862 8.2926  147.900 8.5146  -6.038132      11.88554 
1 1 1 -9  -32 26 o 31.619  7.8777  127.514    60.216   155.361    77.367   84.723     95.905   34.871  9.0613  28.863  10.532  6.007803       13.89370 
1 1 1 -9  -32 27 o 223.702 7.4641  6137.25    405.147  5983.23    563.250  6302.38    583.199  219.693 10.566  225.432 10.662  -5.739395      15.01077 
1 1 1 -9  -32 28 o 126.742 5.6888  1961.54    174.948  1812.71    238.053  2136.33    257.975  121.166 8.1444  131.588 8.1194  -10.42162      11.50023 
1 1 1 -9  -32 29 o 44.297  5.3526  242.902    56.365   349.002    93.131   181.576    70.804   52.824  7.4748  37.743  7.9809  15.08020       10.93468 
1 1 1 -9  -32 30 o 108.293 3.6435  1426.90    95.737   1336.61    144.783  1497.06    127.621  104.434 5.7356  110.812 4.7465  -6.377792      7.444867 
1 1 1 -9  -32 31 o 163.896 4.3279  3272.95    172.111  3071.60    253.890  3444.14    234.114  158.324 6.6090  167.853 5.7482  -9.529663      8.759040 
1 1 1 -9  -32 32 o 89.038  3.5003  964.677    75.622   1089.22    116.196  873.166    99.602   94.318  5.0962  84.452  4.8815  9.866455       7.056912 
1 1 1 -9  -32 33 o 155.372 4.1903  2942.23    157.975  2844.96    234.302  3023.30    213.908  152.334 6.3389  157.214 5.6075  -4.880402      8.463243 
1 1 1 -9  -32 34 o 122.582 3.7574  1830.24    111.758  1907.61    168.726  1769.77    149.173  124.851 5.5696  120.338 5.1088  4.512932       7.557853 
1 1 1 -9  -32 35 o 37.954  4.2759  177.924    38.692   134.411    64.579   202.291    48.325   32.340  8.2139  40.372  5.0432  -8.031662      9.638597 
1 1 1 -9  -32 36 o 180.566 4.4998  3981.88    197.148  4156.35    291.054  3833.97    267.991  183.810 6.5259  176.637 6.2528  7.172363       9.037982 
1 1 1 -9  -32 37 o 56.066  3.7165  384.893    50.272   428.663    83.013   359.544    63.173   58.794  5.8985  53.996  4.8743  4.798035       7.651900 
1 1 1 -9  -32 38 o 78.781  3.5605  756.661    68.060   746.564    107.636  763.387    87.852   77.745  5.7466  78.868  4.6108  -1.123230      7.367693 
1 1 1 -9  -32 39 o 118.020 3.7779  1699.97    108.186  1839.77    165.954  1596.66    142.669  122.343 5.5904  114.084 5.1539  8.258537       7.603684 
1 1 1 -9  -32 40 o 44.054  4.1375  239.326    43.709   298.223    73.359   206.909    54.424   48.746  6.3533  40.625  5.6762  8.120796       8.519589 
1 1 1 -9  -32 41 o 47.158  3.9983  273.833    45.320   297.898    76.891   261.022    56.101   48.593  6.6995  45.813  5.1352  2.780609       8.441195 
1 1 1 -9  -32 42 o 49.804  4.9890  307.807    59.478   353.316    80.674   253.611    88.038   53.035  6.3983  44.205  8.5168  8.830242       10.65242 
1 1 1 -9  -32 43 f 12.531  5.7472  -27.4281   39.644   -48.0685   74.221   -19.1885   46.894   17.160  7.8678  14.478  6.4822  2.682213       10.19419 
1 1 1 -9  -32 44 o 53.162  5.8281  353.787    73.946   253.692    120.532  414.198    93.639   43.290  11.340  57.246  6.8791  -13.95611      13.26312 
1 1 1 -9  -32 45 o 60.619  5.6430  458.482    82.047   405.580    132.569  491.326    104.457  55.272  10.263  62.311  7.0319  -7.039082      12.44066 
1 1 1 -9  -32 46 o 63.722  3.8631  499.261    59.447   597.659    98.505   442.894    74.554   69.152  5.9280  59.674  5.2010  9.477528       7.886187 
1 1 1 -9  -32 47 o 63.676  4.0556  499.382    62.334   494.827    104.846  501.872    77.523   62.461  7.0409  63.570  5.0680  -1.109711      8.675165 
1 1 1 -9  -32 48 o 138.060 4.2297  2341.59    141.689  2361.31    219.389  2327.48    185.584  137.431 6.5791  137.012 5.5824  0.4190674      8.628284 
1 1 1 -9  -32 49 o 51.484  4.5301  328.798    56.014   279.284    96.300   354.116    68.861   45.972  8.9551  53.202  5.4096  -7.230263      10.46215 
1 1 1 -9  -32 50 f 19.545  7.3763  36.745     47.766   123.157    101.761  12.326     54.096   31.420  10.913  17.994  7.4889  13.42552       13.23561 
1 1 1 -9  -32 51 o 37.717  7.0021  184.551    61.721   132.724    113.670  206.220    73.500   32.561  11.518  39.609  7.9245  -7.047192      13.98047 
1 1 1 -9  -32 52 o 45.015  6.3740  258.971    67.675   215.291    133.861  273.969    78.437   39.273  12.488  45.990  7.2707  -6.717476      14.45030 
1 1 1 -9  -32 53 o 24.236  6.8556  76.504     42.120   -31.0306   83.194   113.569    48.843   18.981  8.5550  29.378  6.9589  -10.39708      11.02790 
1 1 1 -9  -32 54 o 17.925  6.5993  33.478     37.771   106.359    76.694   10.140     43.400   28.622  9.4796  16.121  6.7085  12.50100       11.61319 
1 1 1 -9  -32 55 o 27.121  6.5336  96.881     42.486   46.454     87.703   112.344    48.564   24.066  9.7194  29.123  6.9662  -5.056730      11.95802 
1 1 1 -9  -32 56 o 10.834  5.0904  -34.0797   34.120   -31.1034   79.029   -34.7615   37.827   18.298  8.2841  11.570  5.4115  6.728298       9.894996 
1 1 1 -9  -32 57 o 23.915  7.8665  73.268     52.846   73.460     110.139  73.210     60.233   27.335  10.944  24.252  8.3976  3.082371       13.79430 
1 1 1 -9  -32 58 o 41.452  6.2073  223.023    60.512   189.711    118.196  234.855    70.443   36.089  11.759  42.136  7.1454  -6.047108      13.76003 
1 1 1 -9  -32 59 o 51.233  5.6547  335.746    69.123   376.355    133.235  320.789    80.856   50.891  11.102  49.447  6.9295  1.444405       13.08724 
1 1 1 -9  -32 60 o 54.044  7.3025  385.591    93.308   368.185    168.020  393.352    112.200  48.141  13.718  53.564  8.9485  -5.422840      16.37902 
1 1 1 -9  -32 61 o 30.998  9.2511  133.650    74.874   317.005    145.308  67.368     87.365   45.410  12.694  25.255  9.8596  20.15496       16.07351 
1 1 1 -9  -32 62 o 51.188  5.5829  334.715    68.217   295.197    140.240  346.964    78.077   43.969  12.534  51.757  6.3504  -7.787682      14.05131 
1 1 1 -9  -32 63 o 25.897  8.1152  89.480     56.714   184.942    125.596  65.029     63.564   35.547  12.134  23.478  8.5733  12.06910       14.85708 
1 1 1 -9  -32 64 o 44.215  9.9298  278.535    103.925  219.849    274.638  288.343    112.274  39.019  16.592  44.602  10.541  -5.582943      19.65738 
1 1 1 -9  -32 65 o 21.090  9.0074  17.373     81.584   225.193    262.460  -4.8544    85.836   38.530  16.294  20.213  8.9256  18.31771       18.57855 
1 1 1 -9  -31 1  o 36.737  5.2189  168.618    45.213   166.543    62.479   170.900    65.510   36.051  7.3907  36.479  7.6457  -0.4280586     10.63389 
1 1 1 -9  -31 2  o 151.957 4.3720  2819.95    161.200  2887.80    233.320  2757.98    222.975  153.242 6.2750  149.802 6.1344  3.439377       8.775334 
1 1 1 -9  -31 3  o 78.988  3.8870  760.533    74.496   740.686    108.490  778.240    102.475  77.513  5.8106  79.561  5.3392  -2.047592      7.891200 
1 1 1 -9  -31 4  o 84.481  3.8190  869.520    78.284   795.791    115.104  932.975    106.784  80.367  5.9448  87.226  5.0672  -6.858948      7.811365 
1 1 1 -9  -31 5  o 56.530  4.6479  392.502    63.188   421.629    81.853   349.546    99.403   58.402  5.8550  52.657  8.0345  5.745338       9.941517 
1 1 1 -9  -31 6  o 170.155 5.1878  3535.70    214.189  3632.15    268.204  3365.87    355.878  172.162 6.4204  164.734 8.9368  7.427277       11.00401 
1 1 1 -9  -31 7  o 133.493 6.0494  2179.86    195.945  2183.26    310.153  2177.60    252.782  132.407 9.7218  132.822 7.8788  -0.4143219     12.51353 
1 1 1 -9  -31 8  o 105.746 9.5523  1393.39    242.452  1393.39    242.452  0.0000     0.0000   105.746 9.5523  ?       ?       0.000000       9.552342 
1 1 1 -9  -31 9  o 88.015  9.6318  967.972    202.339  967.972    202.339  0.0000     0.0000   88.015  9.6318  ?       ?       0.000000       9.631779 
1 1 1 -9  -31 10 o 213.474 7.3826  5586.26    382.401  5510.84    566.510  5649.39    518.294  210.376 11.138  213.762 9.9927  -3.385529      14.96337 
1 1 1 -9  -31 11 o 100.633 5.5310  1239.18    134.536  1410.00    222.173  1140.27    169.056  106.738 8.6529  96.210  7.2961  10.52809       11.31839 
1 1 1 -9  -31 12 o 104.409 5.5685  1333.55    140.562  1232.93    229.250  1394.16    177.931  99.558  9.6095  106.527 6.9213  -6.969337      11.84257 
1 1 1 -9  -31 13 o 145.667 6.0540  2590.58    213.979  2406.75    329.096  2725.21    281.640  139.372 9.7938  148.893 7.8231  -9.520767      12.53473 
1 1 1 -9  -31 14 o 60.601  5.7802  452.059    83.963   455.630    158.194  450.658    99.068   59.707  11.334  60.324  6.8921  -0.6170959     13.26507 
1 1 1 -9  -31 15 o 91.604  5.5168  1026.82    122.049  1028.15    204.911  1026.09    151.940  90.926  9.4247  91.352  6.9058  -0.4255981     11.68394 
1 1 1 -9  -31 16 o 139.901 4.8014  2383.44    162.988  2646.23    307.925  2281.16    192.105  146.538 8.6992  136.750 5.7896  9.788330       10.44971 
1 1 1 -9  -31 17 o 129.068 3.9463  2026.11    123.586  2169.66    178.885  1895.03    170.940  133.402 5.5265  124.659 5.6514  8.742554       7.904420 
1 1 1 -9  -31 18 o 85.509  3.6994  889.020    76.755   905.144    113.414  875.395    104.259  85.999  5.4635  84.616  5.1019  1.383118       7.475208 
1 1 1 -9  -31 19 o 202.182 6.9462  4997.37    340.761  0.0000     0.0000   4997.37    340.761  ?       ?       202.182 6.9462  0.000000       6.946157 
1 1 1 -9  -31 20 o 117.029 5.3237  1669.07    151.171  0.0000     0.0000   1669.07    151.171  ?       ?       117.029 5.3237  0.000000       5.323662 
1 1 1 -9  -31 21 o 198.850 6.9013  4833.53    332.981  0.0000     0.0000   4833.53    332.981  ?       ?       198.850 6.9013  0.000000       6.901273 
1 1 1 -9  -31 22 o 85.056  3.8206  879.745    78.849   874.965    117.731  883.634    106.181  84.505  5.7764  85.006  5.1725  -0.5019379     7.753818 
1 1 1 -9  -31 23 o 125.737 3.9116  1922.78    119.338  1883.50    170.144  1960.80    167.427  124.282 5.6421  126.829 5.4405  -2.547356      7.837940 
1 1 1 -9  -31 24 f 127.781 3.9265  1985.86    121.740  2006.38    173.207  1965.83    171.145  128.277 5.5648  126.976 5.5549  1.301682       7.862875 
1 1 1 -9  -31 25 o 96.131  3.7383  1123.72    87.197   1123.51    124.803  1123.93    121.879  95.854  5.3879  95.890  5.2584  -0.3579712E-01 7.528582 
1 1 1 -9  -31 26 o 60.340  5.6998  448.015    82.462   446.190    107.572  450.617    128.415  59.896  7.5709  59.874  9.1280  0.2238083E-01  11.85910 
1 1 1 -9  -31 27 o 133.298 5.8002  2168.10    187.599  2320.87    257.108  1994.16    274.338  137.395 7.7438  127.034 8.9577  10.36160       11.84086 
1 1 1 -9  -31 28 o 108.531 5.0070  1435.33    131.855  1181.90    198.142  1636.76    176.645  97.741  8.4376  115.576 6.3229  -17.83557      10.54380 
1 1 1 -9  -31 29 o 100.438 4.8411  1229.08    117.979  1295.47    179.204  1178.28    156.738  102.597 7.2452  97.939  6.6348  4.658295       9.824101 
1 1 1 -9  -31 30 o 201.900 6.6893  4987.39    327.705  5082.94    478.613  4903.05    449.634  202.878 9.7227  199.407 9.2930  3.470688       13.44952 
1 1 1 -9  -31 31 o 97.668  3.6037  1160.27    85.401   982.438    129.861  1295.79    113.365  89.469  6.0169  103.138 4.5300  -13.66839      7.531520 
1 1 1 -9  -31 32 o 76.141  3.4971  705.164    64.609   626.354    100.559  760.568    84.315   71.361  5.8593  78.893  4.4223  -7.532410      7.340903 
1 1 1 -9  -31 33 o 130.896 3.8795  2085.69    123.215  2076.28    184.574  2093.26    165.489  130.324 5.8369  130.957 5.2081  -0.6330414     7.822648 
1 1 1 -9  -31 34 o 157.337 4.1791  3015.98    159.541  3087.18    236.655  2956.66    216.006  158.795 6.1421  155.495 5.7251  3.300537       8.396562 
1 1 1 -9  -31 35 o 75.904  3.4548  701.174    63.630   790.002    99.737   640.205    82.630   80.254  5.1490  72.278  4.7378  7.976753       6.997059 
1 1 1 -9  -31 36 o 84.549  3.5425  870.385    72.675   867.878    113.552  872.124    94.585   84.021  5.6020  84.401  4.6363  -0.3804398     7.271701 
1 1 1 -9  -31 37 f 71.455  3.6121  623.541    62.423   541.711    98.743   678.013    80.564   66.140  6.2261  74.391  4.4843  -8.250557      7.672900 
1 1 1 -9  -31 38 o 143.527 4.0596  2513.28    141.377  2576.23    212.320  2463.14    189.496  144.821 6.0422  141.754 5.5093  3.067154       8.176853 
1 1 1 -9  -31 39 o 33.696  4.7776  141.618    37.969   128.338    65.517   148.333    46.590   31.556  8.4059  34.295  5.8059  -2.739031      10.21603 
1 1 1 -9  -31 40 o 137.417 4.0081  2305.99    133.642  2386.09    202.732  2244.43    177.724  139.221 6.0014  135.206 5.4173  4.014511       8.084820 
1 1 1 -9  -31 41 o 118.177 3.8465  1705.51    110.296  1709.67    170.103  1702.50    144.880  117.632 5.9794  117.789 5.0692  -0.1565704     7.838966 
1 1 1 -9  -31 42 o 60.211  3.7288  444.443    54.208   462.419    89.272   433.944    68.227   60.899  6.1245  59.294  4.7829  1.604919       7.770846 
1 1 1 -9  -31 43 o 92.731  5.3705  1062.28    120.321  1191.55    185.775  968.874    157.918  97.226  7.9443  87.802  7.4839  9.423653       10.91423 
1 1 1 -9  -31 44 o 24.470  7.6353  74.822     50.265   126.015    88.216   50.211     61.165   31.535  10.149  22.463  8.3731  9.072138       13.15743 
1 1 1 -9  -31 45 o 25.150  7.6720  80.025     51.082   74.278     89.562   82.796     62.189   26.956  10.115  25.974  8.5330  0.9823608      13.23384 
1 1 1 -9  -31 46 o 77.509  3.7896  735.387    71.271   731.241    115.916  737.907    90.371   76.454  6.3048  77.281  4.8439  -0.8268280     7.950736 
1 1 1 -9  -31 47 o 55.697  4.2522  382.902    57.032   376.120    97.078   386.477    70.477   54.212  7.5880  55.705  5.2772  -1.492100      9.242596 
1 1 1 -9  -31 48 o 79.783  3.9152  780.165    75.794   805.012    125.238  765.804    95.210   80.093  6.5004  78.639  5.0159  1.454025       8.210614 
1 1 1 -9  -31 49 o 86.980  3.8980  927.521    82.268   890.120    134.936  949.647    103.788  84.132  6.6646  87.617  4.9016  -3.485321      8.273026 
1 1 1 -9  -31 50 o 87.059  5.2395  941.006    110.164  1450.23    193.317  696.110    134.063  106.943 7.4974  73.882  7.5860  33.06032       10.66572 
1 1 1 -9  -31 51 o 57.739  5.8610  419.002    80.973   332.882    148.372  455.531    96.632   48.652  12.501  59.893  6.7681  -11.24142      14.21593 
1 1 1 -9  -31 52 o 45.464  6.3475  263.477    68.112   274.505    134.441  259.669    79.002   44.177  12.159  44.701  7.5529  -0.5241776     14.31377 
1 1 1 -9  -31 53 o 57.739  4.3607  413.461    60.643   364.342    109.233  435.345    72.911   52.414  8.9078  59.009  5.1437  -6.595482      10.28622 
1 1 1 -9  -31 54 o 38.231  5.2425  185.059    47.351   190.109    90.042   183.128    55.670   37.227  9.8249  37.690  6.3105  -0.4623451     11.67692 
1 1 1 -9  -31 55 o 16.481  6.4403  22.285     37.303   -53.0117   80.740   42.719     42.061   17.548  8.1036  19.538  6.9960  -1.990688      10.70571 
1 1 1 -9  -31 56 o 19.624  6.8829  44.710     40.526   189.061    86.138   3.6752     45.926   36.981  9.5374  15.902  6.7740  21.07963       11.69823 
1 1 1 -9  -31 57 f 31.008  6.1722  125.683    44.805   25.739     92.884   155.991    51.150   23.044  9.7162  34.576  6.3301  -11.53227      11.59636 
1 1 1 -9  -31 58 o 19.580  7.5894  35.705     51.479   -58.8865   108.292  63.322     58.514   20.338  9.3897  23.072  8.2526  -2.733915      12.50085 
1 1 1 -9  -31 59 o 46.226  5.8209  274.318    63.841   474.849    127.369  207.034    73.779   58.913  9.2120  39.105  8.0440  19.80746       12.22977 
1 1 1 -9  -31 60 o 65.060  6.6789  548.537    103.940  501.291    177.182  573.328    128.344  57.369  13.026  65.465  8.2640  -8.096024      15.42630 
1 1 1 -9  -31 61 o 59.168  7.0468  457.721    99.179   501.785    177.444  437.701    119.606  57.382  13.041  56.612  9.0092  0.7696648      15.84995 
1 1 1 -9  -31 62 o 54.829  5.8109  384.488    76.129   283.513    148.785  420.300    88.606   42.911  13.094  56.981  6.5264  -14.06949      14.63054 
1 1 1 -9  -31 63 o 30.080  7.8803  123.015    58.204   212.693    125.884  98.631     65.642   37.868  12.117  27.178  8.7558  10.68992       14.94977 
1 1 1 -9  -31 64 o 77.916  5.0199  764.806    94.399   687.370    183.680  792.600    110.044  68.936  11.378  78.848  5.7924  -9.911285      12.76778 
1 1 1 -9  -31 65 o 37.116  16.493  152.055    297.608  152.055    297.608  0.0000     0.0000   37.116  16.493  ?       ?       0.000000       16.49309 
1 1 1 -9  -30 1  o 112.490 3.9872  1542.63    108.829  1459.48    157.484  1618.64    150.564  108.929 5.9813  114.997 5.3960  -6.068108      8.055592 
1 1 1 -9  -30 2  o 193.198 4.9044  4558.57    229.906  4657.99    330.674  4465.54    319.867  194.625 7.0023  190.593 6.9167  4.031906       9.842365 
1 1 1 -9  -30 3  o 99.022  3.9029  1194.16    93.774   1164.97    136.611  1220.16    128.953  97.409  5.8063  99.787  5.3454  -2.377602      7.892119 
1 1 1 -9  -30 4  o 135.577 4.0798  2238.55    134.209  2380.95    194.568  2109.29    185.368  139.561 5.7457  131.345 5.8164  8.215118       8.175818 
1 1 1 -9  -30 5  o 231.934 5.3848  6566.35    303.038  6596.46    433.354  6537.55    423.921  231.725 7.7074  230.738 7.5719  0.9870148      10.80447 
1 1 1 -9  -30 6  o 197.320 5.5825  4752.73    267.278  4741.81    332.968  4772.52    448.181  196.756 6.9744  196.632 9.3936  0.1239319      11.69971 
1 1 1 -9  -30 7  o 117.391 7.3423  1695.03    208.085  1695.03    208.085  0.0000     0.0000   117.391 7.3423  ?       ?       0.000000       7.342257 
1 1 1 -9  -30 8  o 89.094  5.5629  971.985    119.657  971.985    119.657  0.0000     0.0000   89.094  5.5629  ?       ?       0.000000       5.562920 
1 1 1 -9  -30 9  o 125.757 4.0319  1923.93    123.029  1910.92    177.111  1936.06    171.028  125.143 5.8328  125.993 5.5945  -0.8496780     8.082036 
1 1 1 -9  -30 10 o 72.057  4.2458  633.951    73.905   592.914    95.652   694.737    116.415  69.490  5.7238  75.148  6.4470  -5.657120      8.621220 
1 1 1 -9  -30 11 o 82.862  5.4801  840.578    109.559  944.863    187.903  786.865    134.854  87.245  9.0058  79.921  7.0254  7.323578       11.42192 
1 1 1 -9  -30 12 o 238.318 7.8140  6955.61    451.853  7013.40    661.922  6905.17    618.334  238.027 11.461  236.456 10.777  1.570801       15.73214 
1 1 1 -9  -30 13 o 113.125 5.5719  1559.89    152.943  1626.62    244.393  1516.93    196.087  114.784 8.8430  111.134 7.3125  3.649773       11.47485 
1 1 1 -9  -30 14 f 128.932 5.7673  2026.76    180.424  1958.29    280.583  2075.03    235.590  125.922 9.2479  130.026 7.4991  -4.103699      11.90636 
1 1 1 -9  -30 15 o 58.543  5.7721  421.836    80.925   462.674    147.307  404.183    96.849   60.455  10.418  57.069  7.1511  3.386169       12.63634 
1 1 1 -9  -30 16 o 296.923 12.845  10953.18   925.422  0.0000     0.0000   10953.18   925.422  ?       ?       296.923 12.845  0.000000       12.84492 
1 1 1 -9  -30 17 o 236.652 7.6545  6852.02    439.531  7316.02    639.536  6436.67    605.075  243.513 10.824  228.376 10.919  15.13664       15.37482 
1 1 1 -9  -30 18 o 274.308 8.5313  9224.34    567.830  0.0000     0.0000   9224.34    567.830  ?       ?       274.308 8.5313  0.000000       8.531315 
1 1 1 -9  -30 19 o 163.301 6.0263  3252.12    238.783  0.0000     0.0000   3252.12    238.783  ?       ?       163.301 6.0263  0.000000       6.026302 
1 1 1 -9  -30 20 o 169.105 6.1846  3488.36    253.763  0.0000     0.0000   3488.36    253.763  ?       ?       169.105 6.1846  0.000000       6.184565 
1 1 1 -9  -30 21 o 280.565 6.0849  9600.75    414.239  10331.65   588.414  8882.59    583.265  290.371 8.3515  269.046 8.9346  21.32449       12.23008 
1 1 1 -9  -30 22 o 235.673 5.3921  6766.60    308.340  6634.71    437.520  6896.75    434.612  232.849 7.7439  237.454 7.5432  -4.605713      10.81056 
1 1 1 -9  -30 23 o 288.550 6.2600  10158.76   438.286  10426.20   621.299  9893.83    618.372  291.526 8.7833  283.916 8.9763  7.610046       12.55866 
1 1 1 -9  -30 24 o 61.668  3.8577  464.175    57.432   399.601    82.291   525.499    80.193   56.923  6.0507  65.495  5.0861  -8.571857      7.904429 
1 1 1 -9  -30 25 o 124.069 3.9104  1871.75    117.720  1850.73    167.815  1892.11    165.179  123.223 5.6127  124.608 5.4632  -1.385048      7.832570 
1 1 1 -9  -30 26 o 101.658 3.7410  1256.41    92.277   1280.22    130.853  1232.85    130.149  102.375 5.2858  100.448 5.3593  1.926598       7.527394 
1 1 1 -9  -30 27 o 245.135 7.7824  7358.11    462.896  6761.24    667.946  7909.66    642.086  233.294 11.839  253.221 10.450  -19.92709      15.79119 
1 1 1 -9  -30 28 o 90.754  4.8118  1005.65    105.579  953.296    161.181  1044.99    139.728  87.919  7.6312  92.314  6.2754  -4.394279      9.880083 
1 1 1 -9  -30 29 o 68.917  4.8179  581.178    80.059   609.834    127.407  562.480    102.914  70.171  7.6046  67.578  6.3509  2.593437       9.907764 
1 1 1 -9  -30 30 o 127.702 5.2976  1987.79    164.150  1815.45    246.319  2125.47    220.163  121.327 8.4192  131.656 6.9161  -10.32930      10.89572 
1 1 1 -9  -30 31 o 76.860  4.7590  722.262    88.315   829.499    138.587  648.938    114.597  82.040  7.0299  72.571  6.5795  9.469124       9.628589 
1 1 1 -9  -30 32 o 125.425 3.8524  1913.77    117.240  1688.71    175.546  2094.98    157.520  117.408 6.1839  131.112 4.9514  -13.70443      7.921924 
1 1 1 -9  -30 33 o 188.258 4.5510  4317.12    207.885  4636.54    305.104  4040.34    284.014  194.700 6.4583  181.756 6.4400  12.94450       9.120506 
1 1 1 -9  -30 34 o 224.448 5.1680  6146.04    281.452  6276.37    409.748  6029.62    387.270  226.130 7.4678  221.732 7.1982  4.398727       10.37217 
1 1 1 -9  -30 35 o 119.271 3.7337  1731.34    108.053  1921.48    163.855  1585.03    143.735  125.435 5.3837  113.950 5.1986  11.48424       7.483931 
1 1 1 -9  -30 36 o 91.827  3.6238  1026.36    80.742   867.631    124.055  1143.02    106.351  83.955  6.1322  96.817  4.5272  -12.86121      7.622284 
1 1 1 -9  -30 37 o 191.191 4.7029  4461.69    218.172  4481.51    321.214  4444.71    297.260  190.941 6.9331  190.327 6.4368  0.6143646      9.460524 
1 1 1 -9  -30 38 o 111.545 3.7513  1515.93    101.531  1500.13    155.794  1527.59    133.863  110.482 5.8322  111.801 4.9346  -1.318275      7.639698 
1 1 1 -9  -30 39 o 133.623 3.9941  2177.71    129.497  2044.05    195.963  2281.32    172.539  128.962 6.2625  136.513 5.2089  -7.550797      8.145691 
1 1 1 -9  -30 40 o 50.906  3.9392  318.038    48.278   319.729    80.029   317.070    60.532   50.504  6.6957  50.653  4.9899  -0.1488953     8.350513 
1 1 1 -9  -30 41 o 138.978 4.0261  2358.60    135.769  2457.32    206.280  2283.15    180.338  141.293 6.0169  136.370 5.4501  4.923355       8.118289 
1 1 1 -9  -30 42 o 20.532  6.2713  52.240     34.117   54.736     57.141   50.857     42.529   22.645  8.1494  20.917  7.0612  1.727793       10.78296 
1 1 1 -9  -30 43 o 85.388  3.7073  890.384    76.810   915.659    122.091  873.827    98.816   85.974  5.8881  84.259  4.8539  1.714539       7.630870 
1 1 1 -9  -30 44 o 37.111  6.8473  176.185    59.386   194.392    99.665   166.163    73.946   38.313  10.437  35.643  8.6402  2.670773       13.54964 
1 1 1 -9  -30 45 o 46.076  6.1337  267.234    66.872   157.331    110.043  331.580    84.202   35.004  11.343  51.166  6.9632  -16.16204      13.30971 
1 1 1 -9  -30 46 o 74.976  5.4448  697.309    98.377   714.909    155.463  685.555    127.050  74.667  8.7467  73.742  7.1922  0.9245148      11.32398 
1 1 1 -9  -30 47 o 86.535  3.7612  916.398    78.974   1027.71    126.545  845.387    101.073  90.942  5.7646  82.679  5.0626  8.263153       7.672086 
1 1 1 -9  -30 48 o 75.431  3.9067  698.817    71.257   691.036    120.214  703.031    88.477   74.121  6.7585  75.409  4.8614  -1.287903      8.325316 
1 1 1 -9  -30 49 o 19.725  6.6663  45.650     37.906   96.511     74.911   28.144     43.948   27.983  9.3718  18.189  7.0228  9.793858       11.71115 
1 1 1 -9  -30 50 o 15.019  6.2470  7.4911     37.612   -44.2811   72.645   26.452     43.964   17.056  7.8066  17.993  7.0026  -0.9370766     10.48710 
1 1 1 -9  -30 51 o 51.786  5.9423  337.672    73.315   390.980    141.095  317.955    85.809   53.563  11.216  49.767  7.3252  3.796108       13.39600 
1 1 1 -9  -30 52 o 13.747  6.2808  -28.7918   46.746   -29.5550   99.802   -28.5774   52.908   21.163  9.4674  14.837  6.7412  6.326324       11.62221 
1 1 1 -9  -30 53 o 38.525  5.2295  187.267    47.620   189.606    91.881   186.407    55.682   37.347  9.9574  38.139  6.2323  -0.7924538     11.74697 
1 1 1 -9  -30 54 o 41.738  5.0172  219.007    49.792   217.557    96.419   219.535    58.146   39.853  9.9901  41.504  5.9436  -1.650345      11.62447 
1 1 1 -9  -30 55 o 24.429  7.0481  77.801     44.091   4.6692     87.161   102.951    51.113   21.392  9.2261  27.894  7.4218  -6.502214      11.84079 
1 1 1 -9  -30 56 o 22.443  6.9308  64.549     41.539   90.668     87.688   56.993     47.167   27.589  10.070  21.726  7.4357  5.863636       12.51811 
1 1 1 -9  -30 57 o 42.101  5.2178  224.644    52.160   279.890    102.050  205.108    60.685   45.056  9.6269  39.733  6.5208  5.322758       11.62744 
1 1 1 -9  -30 58 o 20.547  7.7595  43.418     52.879   83.055     107.571  30.788     60.722   27.895  10.927  20.151  8.1051  7.744364       13.60459 
1 1 1 -9  -30 59 o 13.965  6.3480  -23.9137   46.989   125.780    98.160   -68.4141   53.520   30.681  10.715  12.730  6.0934  17.95111       12.32626 
1 1 1 -9  -30 60 o 45.853  6.0693  270.997    65.866   270.512    128.815  271.169    76.643   42.653  11.962  45.346  7.2069  -2.693092      13.96558 
1 1 1 -9  -30 61 o 27.897  9.0765  103.975    70.427   22.759     140.099  131.439    81.469   26.557  11.574  30.880  9.7341  -4.323397      15.12313 
1 1 1 -9  -30 62 o 27.244  9.2129  97.021     72.398   317.619    142.955  20.924     83.962   45.927  12.496  21.791  9.2157  24.13614       15.52640 
1 1 1 -9  -30 63 o 35.833  7.5377  172.262    63.460   15.635     131.467  219.843    72.461   25.618  11.187  40.547  7.6455  -14.92893      13.55005 
1 1 1 -9  -30 64 o 71.312  5.0615  640.669    87.011   636.465    170.740  642.144    101.129  66.904  10.892  70.911  5.9321  -4.006226      12.40293 
1 1 1 -9  -30 65 o 27.919  13.302  -150.3513  248.874  -150.3513  248.874  0.0000     0.0000   27.919  13.302  ?       ?       0.000000       13.30221 
1 1 1 -9  -29 1  o 164.195 4.4760  3286.85    178.327  3269.28    257.239  3303.10    247.431  163.317 6.4915  164.231 6.2092  -0.9141388     8.982934 
1 1 1 -9  -29 2  o 179.853 5.3030  3948.81    231.423  3790.30    392.016  4033.60    286.715  174.866 9.2723  181.489 6.5108  -6.623260      11.32991 
1 1 1 -9  -29 3  o 40.754  4.6363  204.954    45.030   272.375    65.291   143.793    62.186   46.861  5.8711  33.563  7.7868  13.29826       9.752116 
1 1 1 -9  -29 4  o 178.481 4.6155  3880.16    199.884  3865.19    287.463  3894.16    278.125  177.754 6.6650  178.471 6.4225  -0.7174988     9.255872 
1 1 1 -9  -29 5  o 72.318  4.4632  639.121    77.935   540.269    97.620   812.865    129.420  66.235  6.1441  81.279  6.6199  -15.04388      9.031779 
1 1 1 -9  -29 6  o 69.060  5.6764  585.576    94.276   585.576    94.276   0.0000     0.0000   69.060  5.6764  ?       ?       0.000000       5.676372 
1 1 1 -9  -29 7  o 109.038 5.6119  1453.41    147.970  1453.41    147.970  0.0000     0.0000   109.038 5.6119  ?       ?       0.000000       5.611888 
1 1 1 -9  -29 8  o 100.974 3.8258  1239.73    93.733   1256.85    134.591  1223.61    130.616  101.402 5.4907  100.061 5.3998  1.341354       7.700994 
1 1 1 -9  -29 9  o 151.781 4.2468  2802.40    156.402  2992.15    225.412  2626.24    217.188  156.637 5.9309  146.726 6.1005  9.911819       8.508296 
1 1 1 -9  -29 10 o 107.439 3.7787  1403.30    98.506   1461.86    144.040  1351.84    135.014  109.539 5.4194  105.213 5.3057  4.325249       7.584257 
1 1 1 -9  -29 11 o 172.518 4.4674  3620.98    187.005  3870.49    268.268  3385.14    260.821  178.130 6.2068  166.551 6.4540  11.57919       8.954263 
1 1 1 -9  -29 12 o 250.494 5.6227  7645.96    341.748  8170.62    486.558  7135.10    480.115  258.436 7.7592  241.389 8.1972  17.04749       11.28711 
1 1 1 -9  -29 13 o 188.834 5.3607  4343.12    245.624  4448.00    305.489  4151.33    413.103  190.909 6.5949  183.669 9.2999  7.239777       11.40085 
1 1 1 -9  -29 14 o 380.479 11.077  17854.62   1022.64  19419.12   1464.95  16367.61   1428.21  393.866 15.329  360.863 16.311  33.00266       22.38369 
1 1 1 -9  -29 15 o 124.648 5.5936  1892.89    169.177  2048.91    260.843  1779.60    222.265  129.086 8.3731  120.405 7.6475  8.680649       11.33991 
1 1 1 -9  -29 16 o 258.383 8.1363  8171.09    510.101  8640.76    738.440  7742.43    705.471  264.552 11.504  250.381 11.612  14.17039       16.34564 
1 1 1 -9  -29 17 o 211.739 9.8463  5509.19    505.866  0.0000     0.0000   5509.19    505.866  ?       ?       211.739 9.8463  0.000000       9.846260 
1 1 1 -9  -29 18 f 111.192 7.1617  1516.28    192.194  0.0000     0.0000   1516.28    192.194  ?       ?       111.192 7.1617  0.000000       7.161733 
1 1 1 -9  -29 19 o 35.431  7.9029  159.548    66.212   0.0000     0.0000   159.548    66.212   ?       ?       35.431  7.9029  0.000000       7.902853 
1 1 1 -9  -29 20 o 121.438 3.8552  1792.65    113.595  1947.30    164.735  1652.45    156.851  126.451 5.3691  116.470 5.5502  9.981216       7.722155 
1 1 1 -9  -29 21 o 223.492 5.1433  6081.06    278.915  6173.41    395.913  5990.06    392.995  224.794 7.2585  221.419 7.3149  3.375214       10.30505 
1 1 1 -9  -29 22 o 239.554 5.4511  6989.58    316.851  6922.39    449.509  7055.93    446.694  237.913 7.7867  240.227 7.6634  -2.314102      10.92528 
1 1 1 -9  -29 23 o 125.301 3.8328  1908.50    116.529  1975.47    166.073  1843.54    163.550  127.360 5.3741  123.024 5.4789  4.335686       7.674589 
1 1 1 -9  -29 24 o 362.085 7.5466  16027.74   663.018  15792.93   939.019  16261.19   936.286  357.994 10.810  363.361 10.620  -5.366821      15.15376 
1 1 1 -9  -29 25 o 179.718 4.5501  3929.52    198.416  3899.09    281.851  3959.42    279.371  178.760 6.4981  180.155 6.3910  -1.394424      9.114295 
1 1 1 -9  -29 26 o 252.437 5.5896  7764.37    342.373  7852.58    493.053  7682.21    475.785  253.293 8.0225  250.583 7.8252  2.709305       11.20684 
1 1 1 -9  -29 27 o 169.353 4.3215  3488.64    177.578  3462.14    259.930  3511.83    243.172  168.453 6.3594  169.723 5.9048  -1.270309      8.678052 
1 1 1 -9  -29 28 o 110.239 5.0247  1479.69    134.403  1300.30    202.614  1620.66    179.607  102.717 8.1978  115.058 6.4596  -12.34119      10.43696 
1 1 1 -9  -29 29 o 155.896 5.7595  2962.86    217.861  2940.26    323.141  2981.70    294.984  154.597 8.6491  156.077 7.7892  -1.480057      11.63956 
1 1 1 -9  -29 30 o 83.105  4.8860  843.809    98.092   817.610    152.920  862.126    127.865  81.349  7.8445  83.809  6.3345  -2.460861      10.08281 
1 1 1 -9  -29 31 f 105.103 4.9529  1345.36    126.310  1399.28    193.347  1305.21    166.831  106.664 7.5187  103.146 6.7023  3.518379       10.07232 
1 1 1 -9  -29 32 o 72.604  4.8683  644.873    85.267   576.471    134.807  690.488    110.087  68.053  8.3384  74.968  6.1050  -6.914848      10.33436 
1 1 1 -9  -29 33 o 78.323  3.5133  745.838    66.769   664.052    103.359  804.409    87.469   73.538  5.8407  81.166  4.4584  -7.628075      7.347865 
1 1 1 -9  -29 34 o 174.153 4.4259  3692.93    187.023  3693.87    275.858  3692.14    254.423  173.803 6.5413  173.865 6.0309  -0.6188965E-01 8.897170 
1 1 1 -9  -29 35 o 35.046  4.6254  152.210    38.371   88.377     64.510   187.160    47.734   27.085  8.6752  38.833  5.1962  -11.74776      10.11233 
1 1 1 -9  -29 36 o 183.915 4.6407  4123.02    207.092  3880.11    304.642  4331.70    282.369  177.866 7.0588  188.169 6.1845  -10.30254      9.384844 
1 1 1 -9  -29 37 o 167.121 4.3642  3404.03    176.970  3370.78    262.623  3431.69    239.516  165.833 6.5268  167.482 5.8939  -1.649307      8.794143 
1 1 1 -9  -29 38 o 125.213 3.8865  1909.79    118.078  1843.53    179.618  1960.21    156.695  122.673 6.0345  126.671 5.0982  -3.997887      7.899750 
1 1 1 -9  -29 39 o 105.493 3.6992  1355.65    94.689   1312.14    146.603  1386.79    124.031  103.307 5.8728  106.551 4.7974  -3.243958      7.583233 
1 1 1 -9  -29 40 o 110.147 3.7742  1478.82    100.870  1421.05    155.719  1520.59    132.404  107.430 5.9977  111.514 4.8934  -4.083832      7.740665 
1 1 1 -9  -29 41 o 100.661 3.7455  1235.58    91.481   1194.86    141.858  1264.57    119.695  98.430  5.9679  101.660 4.8525  -3.229568      7.691694 
1 1 1 -9  -29 42 o 65.077  3.8195  518.560    60.046   505.648    96.306   526.771    76.802   63.754  6.3084  65.406  4.8745  -1.651501      7.972233 
1 1 1 -9  -29 43 o 20.920  6.3464  54.403     35.025   123.753    60.949   20.209     42.797   30.930  8.0450  17.260  6.8505  13.67071       10.56657 
1 1 1 -9  -29 44 o 72.416  5.3691  648.393    93.668   685.369    147.384  623.339    121.321  73.493  8.4167  70.470  7.1962  3.023033       11.07366 
1 1 1 -9  -29 45 o 64.986  5.4921  523.877    85.790   605.421    136.769  470.981    110.155  68.964  8.3431  60.970  7.6118  7.993610       11.29369 
1 1 1 -9  -29 46 o 49.809  6.1237  311.529    72.451   305.238    116.007  315.552    92.768   47.967  10.277  49.575  7.9831  -1.608456      13.01309 
1 1 1 -9  -29 47 o 44.405  4.3410  244.071    46.173   128.096    81.602   298.690    56.000   31.517  9.7111  49.073  4.7630  -17.55589      10.81629 
1 1 1 -9  -29 48 o 87.870  3.8293  945.076    81.643   1147.52    135.555  829.840    102.273  96.097  5.8413  81.886  5.1740  14.21157       7.803258 
1 1 1 -9  -29 49 o 18.931  6.7297  39.108     38.853   54.910     75.742   33.465     45.261   24.177  9.2488  18.962  7.1744  5.214926       11.70523 
1 1 1 -9  -29 50 o 94.204  3.9738  1087.76    90.831   968.738    150.977  1155.28    113.712  87.637  7.1626  96.845  4.8391  -9.207420      8.644087 
1 1 1 -9  -29 51 o 9.7201  4.7917  -86.0778   40.394   -193.1595  90.533   -59.4612   45.136   14.390  7.1088  11.766  5.6221  2.624670       9.063302 
1 1 1 -9  -29 52 o 46.131  6.2755  270.026    68.420   199.785    128.457  297.845    80.842   38.402  12.236  48.199  7.1274  -9.796867      14.16015 
1 1 1 -9  -29 53 o 29.850  7.8148  117.389    57.266   211.504    121.445  90.479     64.939   39.186  11.802  26.772  8.7160  12.41406       14.67148 
1 1 1 -9  -29 54 f 64.419  4.2944  513.553    66.740   390.678    121.930  566.115    79.747   53.992  9.6619  67.451  4.9062  -13.45892      10.83619 
1 1 1 -9  -29 55 o 54.481  4.5380  369.343    59.443   356.065    113.212  374.397    69.845   51.474  9.4113  54.595  5.3409  -3.121487      10.82117 
1 1 1 -9  -29 56 o 44.007  5.0174  243.710    52.617   176.453    105.309  266.087    60.743   35.682  11.038  45.820  5.5788  -10.13741      12.36783 
1 1 1 -9  -29 57 f 28.186  6.6368  104.698    44.639   142.392    92.210   93.161     51.016   32.355  10.373  26.527  7.5592  5.827324       12.83488 
1 1 1 -9  -29 58 o 30.100  7.7495  121.756    56.937   219.305    121.143  94.099     64.505   38.928  11.801  26.814  8.6840  12.11372       14.65207 
1 1 1 -9  -29 59 o 18.041  7.4373  17.735     52.639   -0.9827    119.732  22.220     58.607   23.992  10.571  19.172  7.8689  4.819679       13.17799 
1 1 1 -9  -29 60 o 15.931  7.0836  -13.9228   54.981   -8.0532    120.838  -15.4552   61.743   23.721  10.527  16.826  7.4927  6.894926       12.92099 
1 1 1 -9  -29 61 o 31.478  9.1331  136.465    73.848   15.103     153.553  172.982    84.229   27.240  11.988  35.169  9.6011  -7.928551      15.35854 
1 1 1 -9  -29 62 o 19.785  8.1371  23.867     62.828   -155.2141  145.398  64.982     69.667   20.909  10.018  24.010  8.9388  -3.101456      13.42604 
1 1 1 -9  -29 63 o 73.635  5.0593  681.384    89.844   759.454    179.217  655.178    103.835  74.055  10.248  71.685  6.0256  2.370178       11.88862 
1 1 1 -9  -29 64 o 33.641  12.931  147.498    148.485  147.498    148.485  0.0000     0.0000   33.641  12.931  ?       ?       0.000000       12.93055 
1 1 1 -9  -29 65 o 35.632  16.298  56.086     315.834  56.086     315.834  0.0000     0.0000   35.632  16.298  ?       ?       0.000000       16.29768 
1 1 1 -9  -29 66 o 24.501  10.142  47.082     98.460   -64.7880   320.261  58.759     103.471  32.573  15.393  25.603  10.476  6.970547       18.61965 
1 1 1 -9  -28 1  o 131.835 4.1103  2115.58    131.483  2005.86    190.191  2216.03    181.971  128.113 6.1183  134.743 5.5659  -6.629517      8.271197 
1 1 1 -9  -28 2  f 58.993  4.0034  425.369    56.966   394.335    82.657   453.445    78.620   56.496  6.1280  60.741  5.3904  -4.245567      8.161395 
1 1 1 -9  -28 3  o 81.529  3.7745  808.340    74.667   880.896    109.904  746.143    101.757  84.838  5.3666  78.047  5.4066  6.791107       7.617886 
1 1 1 -9  -28 4  o 35.742  4.8884  158.436    41.283   173.690    59.687   144.446    57.161   37.117  6.8807  33.735  7.2023  3.382172       9.960796 
1 1 1 -9  -28 5  o 259.504 8.1634  8252.25    514.020  8252.25    514.020  0.0000     0.0000   259.504 8.1634  ?       ?       0.000000       8.163414 
1 1 1 -9  -28 6  o 250.411 8.0352  7678.67    488.218  7678.67    488.218  0.0000     0.0000   250.411 8.0352  ?       ?       0.000000       8.035207 
1 1 1 -9  -28 7  o 138.573 4.1058  2335.15    138.052  2255.73    198.300  2409.84    192.308  136.013 6.0087  140.625 5.6360  -4.612198      8.238242 
1 1 1 -9  -28 8  o 179.788 4.5882  3932.80    200.157  4131.02    287.145  3745.46    279.153  184.010 6.4313  175.191 6.5670  8.818405       9.191652 
1 1 1 -9  -28 9  o 30.990  4.8915  119.716    35.561   86.828     55.606   142.474    46.256   26.531  7.9848  33.711  5.8683  -7.179705      9.909292 
1 1 1 -9  -28 10 o 107.108 3.7502  1394.37    97.464   1463.26    142.674  1334.09    133.457  109.617 5.3642  104.541 5.2783  5.075562       7.525623 
1 1 1 -9  -28 11 o 146.871 4.1449  2622.80    147.710  2770.54    212.647  2485.06    205.331  150.789 5.8120  142.797 5.9261  7.992081       8.300503 
1 1 1 -9  -28 12 o 371.892 7.7433  16907.38   698.729  17718.57   990.877  16105.05   985.449  379.368 10.765  361.447 11.236  17.92142       15.56056 
1 1 1 -9  -28 13 o 234.089 5.3723  6672.32    305.147  7130.30    434.225  6225.47    428.910  241.594 7.4074  225.653 7.8336  15.94089       10.78120 
1 1 1 -9  -28 14 o 228.224 5.2828  6341.23    292.540  6845.57    416.494  5850.13    410.990  236.762 7.2499  218.771 7.7424  17.99072       10.60693 
1 1 1 -9  -28 15 o 31.461  5.2569  123.729    38.714   197.684    60.764   73.195     50.228   39.749  6.5268  24.550  7.6280  15.19917       10.03914 
1 1 1 -9  -28 16 o 190.617 9.1697  4454.18    424.110  0.0000     0.0000   4454.18    424.110  ?       ?       190.617 9.1697  0.000000       9.169650 
1 1 1 -9  -28 17 o 124.231 7.4096  1891.68    222.336  0.0000     0.0000   1891.68    222.336  ?       ?       124.231 7.4096  0.000000       7.409604 
1 1 1 -9  -28 18 o 211.980 9.8397  5516.85    506.108  0.0000     0.0000   5516.85    506.108  ?       ?       211.980 9.8397  0.000000       9.839742 
1 1 1 -9  -28 19 o 213.982 7.1485  5590.13    371.157  5678.68    540.234  5510.96    510.792  214.930 10.359  211.843 9.9372  3.087082       14.35476 
1 1 1 -9  -28 20 o 112.791 5.2236  1548.62    142.959  1797.74    213.696  1346.81    192.337  121.115 7.3059  104.715 7.6221  16.39915       10.55808 
1 1 1 -9  -28 21 o 182.962 6.4554  4082.16    286.583  4069.35    416.033  4093.73    395.339  181.903 9.4586  182.796 8.9133  -0.8936157     12.99659 
1 1 1 -9  -28 22 o 39.715  4.1212  193.810    39.135   286.074    56.940   111.205    53.877   48.237  4.9344  29.604  7.4936  18.63246       8.972291 
1 1 1 -9  -28 23 o 216.896 5.0809  5725.76    267.398  5657.19    379.443  5793.41    376.885  215.232 7.2657  217.835 7.1305  -2.602280      10.18003 
1 1 1 -9  -28 24 o 235.917 5.3907  6776.94    308.580  6862.06    437.851  6692.95    434.960  236.965 7.6151  234.017 7.6602  2.948013       10.80132 
1 1 1 -9  -28 25 o 367.778 7.5766  16529.16   676.117  16254.74   964.701  16794.10   947.870  363.290 10.944  369.452 10.574  -6.161774      15.21753 
1 1 1 -9  -28 26 o 143.353 3.9811  2498.21    138.475  2345.55    203.728  2629.29    188.789  138.720 6.0527  146.952 5.2947  -8.231430      8.041665 
1 1 1 -9  -28 27 o 113.662 3.6208  1570.02    99.857   1645.48    149.611  1509.39    134.098  116.249 5.3041  111.363 4.9627  4.885468       7.263731 
1 1 1 -9  -28 28 o 28.509  5.1301  101.957    34.182   158.935    57.726   71.191     42.418   35.477  6.9546  23.905  6.9179  11.57212       9.809360 
1 1 1 -9  -28 29 o 185.437 6.3356  4194.40    285.067  4230.51    417.709  4162.92    390.007  185.663 9.2722  184.296 8.7215  1.367157       12.72947 
1 1 1 -9  -28 30 o 125.056 5.2154  1904.49    158.256  1966.29    238.475  1855.87    211.551  126.540 7.8050  123.049 7.1159  3.491035       10.56193 
1 1 1 -9  -28 31 o 246.739 7.7479  7449.54    463.861  7468.13    672.756  7432.69    640.434  245.877 11.277  245.492 10.752  0.3843536      15.58067 
1 1 1 -9  -28 32 o 226.425 7.2297  6268.42    397.197  6593.00    579.466  5980.76    545.513  231.284 10.326  220.324 10.204  10.95996       14.51708 
1 1 1 -9  -28 33 o 44.829  4.0207  246.380    43.269   336.928    70.802   192.402    54.666   52.264  5.6742  39.285  5.9186  12.97935       8.199159 
1 1 1 -9  -28 34 o 77.105  3.5198  722.768    65.852   830.933    103.257  648.614    85.496   82.414  5.1902  72.814  4.8671  9.599503       7.115269 
1 1 1 -9  -28 35 f 61.302  3.7079  458.695    54.893   426.142    85.847   481.211    71.395   58.760  6.1105  62.679  4.7293  -3.918350      7.726858 
1 1 1 -9  -28 36 o 129.740 3.8761  2048.09    122.021  2120.10    184.253  1991.84    162.851  131.770 5.7628  127.791 5.2520  3.978737       7.797032 
1 1 1 -9  -28 37 o 31.569  5.1767  124.736    38.278   148.118    64.706   112.148    47.477   34.040  7.9740  29.678  6.7459  4.361517       10.44472 
1 1 1 -9  -28 38 o 206.919 4.9132  5224.32    246.676  5396.38    362.391  5075.77    336.725  209.637 7.1244  203.415 6.8223  6.221771       9.864061 
1 1 1 -9  -28 39 o 39.147  4.5161  189.370    42.109   187.197    70.419   190.579    52.538   38.295  7.8423  39.064  5.7115  -0.7690773     9.701709 
1 1 1 -9  -28 40 o 31.596  5.2588  125.304    38.899   102.194    63.369   139.278    49.275   28.526  8.5102  33.145  6.3583  -4.618282      10.62317 
1 1 1 -9  -28 41 o 141.257 4.0617  2434.02    139.215  2586.52    210.404  2315.27    185.667  145.157 5.9738  137.441 5.5674  7.716309       8.165964 
1 1 1 -9  -28 42 o 39.167  4.5476  189.993    42.414   233.806    69.479   163.966    53.550   43.016  6.8891  35.984  6.3662  7.032768       9.380251 
1 1 1 -9  -28 43 o 121.604 3.9610  1805.51    116.874  1718.59    179.062  1870.02    154.266  117.916 6.2810  123.488 5.1485  -5.570938      8.121498 
1 1 1 -9  -28 44 o 36.313  5.0313  164.748    43.139   183.394    72.265   154.424    53.772   37.642  8.1485  34.792  6.6113  2.849773       10.49317 
1 1 1 -9  -28 45 o 21.717  7.6594  52.203     50.235   -50.5237   84.200   108.976    62.595   18.475  8.4365  29.125  8.3964  -10.65050      11.90272 
1 1 1 -9  -28 46 o 78.988  5.4147  771.944    103.151  750.247    161.637  786.851    133.981  76.641  8.8549  79.227  7.0430  -2.585716      11.31429 
1 1 1 -9  -28 47 o 54.727  5.8819  374.317    76.880   278.711    128.341  427.823    96.012   45.421  11.603  58.236  6.9308  -12.81557      13.51545 
1 1 1 -9  -28 48 o 30.374  5.9781  118.018    42.490   129.661    82.776   113.852    49.511   31.708  9.7825  29.643  6.9962  2.065165       12.02685 
1 1 1 -9  -28 49 o 25.493  6.6784  83.889     41.804   -1.7037    81.775   114.172    48.641   20.717  8.9357  29.687  6.8860  -8.970221      11.28116 
1 1 1 -9  -28 50 o 66.714  4.0858  547.579    65.821   610.688    116.638  518.091    79.729   69.571  7.0047  64.627  5.1264  4.944221       8.680238 
1 1 1 -9  -28 51 f 35.138  5.7067  156.646    46.985   226.921    90.438   130.666    54.988   41.365  9.2434  31.668  7.3051  9.697063       11.78154 
1 1 1 -9  -28 52 f 97.474  5.5295  1180.82    130.240  1333.77    226.972  1105.73    159.026  101.467 9.3233  93.618  7.0525  7.849098       11.69023 
1 1 1 -9  -28 53 o 74.296  5.5744  688.849    99.758   673.657    178.897  695.704    120.176  70.927  10.730  74.193  6.7494  -3.266739      12.67664 
1 1 1 -9  -28 54 o 53.627  4.6343  357.505    59.709   368.562    110.308  352.923    71.012   52.840  8.9213  52.987  5.6086  -0.1466713     10.53778 
1 1 1 -9  -28 55 f 84.581  4.1296  881.004    84.750   923.668    147.650  860.040    103.498  85.051  7.2230  83.075  5.1600  1.976326       8.876807 
1 1 1 -9  -28 56 o 51.140  4.7056  326.552    57.735   460.507    112.408  278.550    67.290   59.386  8.0050  46.750  6.0756  12.63516       10.04947 
1 1 1 -9  -28 57 o 26.130  6.8616  89.957     44.061   52.584     96.090   99.907     49.581   25.260  10.183  27.462  7.3111  -2.202145      12.53602 
1 1 1 -9  -28 58 o 19.969  7.5889  39.333     50.784   107.112    93.444   10.922     60.498   29.181  10.430  18.560  7.8345  10.62047       13.04454 
1 1 1 -9  -28 59 o 30.167  7.5056  121.954    54.716   172.995    123.318  109.442    61.055   35.140  12.023  28.529  8.3122  6.610291       14.61674 
1 1 1 -9  -28 60 f 17.638  7.3945  11.941     53.300   108.213    121.034  -11.2203   59.366   30.306  11.668  16.779  7.4155  13.52698       13.82475 
1 1 1 -9  -28 61 o 70.231  6.8754  637.284    115.660  374.493    204.300  761.234    140.309  47.988  15.445  76.245  7.6892  -28.25676      17.25355 
1 1 1 -9  -28 62 o 50.837  8.0087  343.609    95.520   291.967    179.129  364.129    112.913  43.311  14.492  51.578  9.3673  -8.266918      17.25605 
1 1 1 -9  -28 63 o 25.115  8.4257  80.456     60.551   -36.7517   136.796  109.016    67.526   23.963  10.869  28.500  8.8427  -4.536396      14.01190 
1 1 1 -9  -28 64 o 28.398  12.074  52.165     145.389  52.165     145.389  0.0000     0.0000   28.398  12.074  ?       ?       0.000000       12.07374 
1 1 1 -9  -28 65 o 46.501  19.482  403.950    369.595  403.950    369.595  0.0000     0.0000   46.501  19.482  ?       ?       0.000000       19.48210 
1 1 1 -9  -28 66 o 63.376  8.8505  548.312    132.387  679.043    358.997  527.736    142.425  55.690  20.369  61.336  9.9076  -5.645828      22.65054 
1 1 1 -9  -27 1  o 205.677 5.0231  5153.40    250.683  5179.01    359.467  5129.15    349.770  205.742 7.2007  204.787 7.0391  0.9544220      10.06967 
1 1 1 -9  -27 2  o 144.415 4.2019  2537.08    147.239  2550.97    212.843  2524.33    203.899  144.599 6.0664  143.871 5.8409  0.7276764      8.421214 
1 1 1 -9  -27 3  o 115.251 3.8923  1615.01    108.847  1608.06    158.626  1621.18    149.633  114.859 5.6917  115.358 5.3458  -0.4993896     7.808562 
1 1 1 -9  -27 4  o 64.482  5.6810  510.571    87.976   510.571    87.976   0.0000     0.0000   64.482  5.6810  ?       ?       0.000000       5.680976 
1 1 1 -9  -27 5  o 184.117 6.5772  4136.48    293.833  4136.48    293.833  0.0000     0.0000   184.117 6.5772  ?       ?       0.000000       6.577237 
1 1 1 -9  -27 6  o 216.961 5.1335  5730.38    270.246  5599.15    385.135  5857.67    379.302  214.065 7.4149  219.009 7.1377  -4.943314      10.29210 
1 1 1 -9  -27 7  o 13.046  5.3607  6.3596     27.238   21.951     45.324   -2.4543    34.078   17.946  7.0730  13.508  5.7967  4.437972       9.144926 
1 1 1 -9  -27 8  o 22.255  5.7262  62.614     31.100   113.537    49.596   29.613     39.925   29.908  6.9643  18.054  6.7579  11.85317       9.704188 
1 1 1 -9  -27 9  o 65.892  3.6488  529.222    58.110   549.109    86.984   513.193    78.093   66.941  5.4013  64.747  5.0098  2.194077       7.366987 
1 1 1 -9  -27 10 o 57.463  3.7603  402.993    52.140   428.764    79.413   383.465    69.127   59.073  5.6076  55.895  5.1550  3.177868       7.617019 
1 1 1 -9  -27 11 o 122.824 3.8651  1833.48    115.188  1936.35    166.909  1739.93    159.167  126.110 5.4546  119.540 5.4875  6.569801       7.737299 
1 1 1 -9  -27 12 o 238.018 5.4215  6897.21    313.105  7229.39    445.652  6573.40    439.997  243.283 7.5495  231.926 7.8187  11.35681       10.86865 
1 1 1 -9  -27 13 o 171.606 4.4168  3581.00    183.911  3792.06    263.092  3379.31    257.186  176.401 6.1467  166.497 6.3662  9.903839       8.849303 
1 1 1 -9  -27 14 o 80.478  3.5838  786.943    69.982   869.298    103.417  717.374    95.051   84.369  5.0754  76.606  5.1435  7.762924       7.226002 
1 1 1 -9  -27 15 f 145.219 5.6935  2568.21    200.616  0.0000     0.0000   2568.21    200.616  ?       ?       145.219 5.6935  0.000000       5.693499 
1 1 1 -9  -27 16 o 240.033 7.7252  7038.89    449.931  0.0000     0.0000   7038.89    449.931  ?       ?       240.033 7.7252  0.000000       7.725214 
1 1 1 -9  -27 17 o 169.492 8.5535  3523.80    350.633  0.0000     0.0000   3523.80    350.633  ?       ?       169.492 8.5535  0.000000       8.553473 
1 1 1 -9  -27 18 o 135.801 5.6402  2245.72    185.850  2484.11    279.713  2057.29    248.679  142.316 8.1339  129.504 7.9524  12.81221       11.37547 
1 1 1 -9  -27 19 o 171.028 6.2044  3564.68    257.475  3544.02    375.648  3582.99    353.600  169.847 9.1488  171.128 8.5158  -1.281799      12.49880 
1 1 1 -9  -27 20 f 244.070 7.7885  7278.38    461.247  7191.45    663.491  7359.68    641.661  241.665 11.315  244.633 10.810  -2.967865      15.64889 
1 1 1 -9  -27 21 o 147.663 5.7414  2655.51    205.708  2699.23    300.338  2616.87    282.328  148.321 8.3796  146.108 7.9940  2.212997       11.58114 
1 1 1 -9  -27 22 o 78.286  4.9493  748.631    93.530   790.653    141.324  715.882    124.761  80.144  7.3493  76.311  6.8095  3.833694       10.01905 
1 1 1 -9  -27 23 o 169.224 4.3666  3482.01    179.296  3428.73    254.756  3534.31    252.386  167.725 6.2598  170.307 6.1076  -2.581711      8.745719 
1 1 1 -9  -27 24 o 227.865 5.1418  6319.01    284.286  6327.63    409.918  6311.02    394.601  227.636 7.4215  227.390 7.1519  0.2464294      10.30674 
1 1 1 -9  -27 25 o 127.760 3.7433  1983.58    116.040  1844.72    171.265  2101.42    157.775  123.069 5.7353  131.419 4.9479  -8.349709      7.574632 
1 1 1 -9  -27 26 o 60.871  3.3803  451.534    49.730   381.579    76.825   501.988    65.244   55.676  5.7707  64.119  4.2172  -8.442928      7.147417 
1 1 1 -9  -27 27 o 64.487  3.4513  506.687    53.806   593.462    83.662   445.475    70.267   69.659  4.9827  60.317  4.8419  9.341537       6.947772 
1 1 1 -9  -27 28 f 20.143  5.9375  50.176     30.992   62.288     53.348   44.006     38.077   23.407  7.9084  19.732  6.6812  3.674702       10.35290 
1 1 1 -9  -27 29 o 8.2459  4.0040  -43.7136   25.183   -49.0386   44.521   -41.2082   30.537   12.297  5.7893  9.7213  4.6394  2.575697       7.418889 
1 1 1 -9  -27 30 o 219.471 7.1085  5881.66    378.547  5869.33    551.372  5892.64    520.642  218.438 10.403  219.041 9.7960  -0.6035919     14.28922 
1 1 1 -9  -27 31 f 167.575 5.9815  3422.99    243.211  3600.72    360.272  3274.19    329.665  171.207 8.7012  163.321 8.3468  7.885910       12.05733 
1 1 1 -9  -27 32 o 80.057  4.9011  783.015    94.745   861.624    149.845  730.655    122.294  83.630  7.4628  77.097  6.6010  6.532898       9.963268 
1 1 1 -9  -27 33 o 104.352 5.0191  1325.88    127.085  1442.47    197.081  1242.90    166.273  108.342 7.5440  100.650 6.8491  7.692642       10.18931 
1 1 1 -9  -27 34 o 132.761 3.9040  2143.25    125.761  2114.85    188.595  2166.00    168.758  131.683 5.9025  133.343 5.2159  -1.659668      7.876891 
1 1 1 -9  -27 35 o 200.161 4.8505  4879.13    235.575  4648.44    344.707  5081.29    322.689  194.908 7.2888  203.954 6.5206  -9.046188      9.779800 
1 1 1 -9  -27 36 o 144.081 4.7975  2528.68    167.720  2573.76    211.782  2452.83    274.686  145.195 6.0114  141.170 8.0526  4.024963       10.04892 
1 1 1 -9  -27 37 o 57.921  4.5730  411.159    63.746   437.814    83.984   374.929    97.913   59.591  5.8852  54.791  7.5667  4.799278       9.586012 
1 1 1 -9  -27 38 o 12.415  5.4997  -11.2644   32.840   -12.7078   54.916   -10.4609   40.974   16.443  7.2040  14.143  6.2089  2.299704       9.510361 
1 1 1 -9  -27 39 o 78.319  3.7177  746.629    70.648   683.838    110.230  790.403    92.037   74.492  6.1536  80.361  4.7411  -5.868958      7.768231 
1 1 1 -9  -27 40 o 60.611  3.8131  449.195    55.792   479.218    89.828   430.339    71.188   62.264  6.0210  59.151  5.0070  3.112961       7.830831 
1 1 1 -9  -27 41 o 43.093  4.4576  229.031    45.936   124.966    75.634   289.852    57.821   31.417  9.2795  48.446  4.9903  -17.02839      10.53627 
1 1 1 -9  -27 42 o 121.951 3.9287  1813.70    116.251  1820.20    178.189  1808.88    153.392  121.740 6.0323  121.551 5.2009  0.1890717      7.964793 
1 1 1 -9  -27 43 o 159.510 4.3856  3109.19    169.737  3013.82    255.631  3184.39    227.001  156.280 6.7413  160.990 5.8112  -4.710236      8.900307 
1 1 1 -9  -27 44 o 50.881  4.0599  318.204    49.705   362.559    84.248   294.521    61.561   53.803  6.5912  48.711  5.2937  5.092220       8.453821 
1 1 1 -9  -27 45 o 24.350  7.6798  73.186     50.706   132.072    88.698   44.600     61.799   32.291  10.154  22.055  8.3741  10.23541       13.16129 
1 1 1 -9  -27 46 o 84.193  5.3842  875.669    109.417  1005.35    170.960  785.691    142.404  89.321  7.9719  79.055  7.5142  10.26636       10.95512 
1 1 1 -9  -27 47 o 94.381  5.4903  1101.39    125.190  1019.99    193.620  1159.87    164.108  89.385  9.0522  96.276  7.0745  -6.891830      11.48874 
1 1 1 -9  -27 48 o 111.778 3.9323  1528.83    106.651  1561.01    169.833  1507.88    137.043  112.050 6.2718  110.687 5.1027  1.363052       8.085336 
1 1 1 -9  -27 49 o 83.925  3.9134  862.068    79.692   871.078    133.627  857.095    99.279   83.430  6.6564  83.329  4.9321  0.1006241      8.284557 
1 1 1 -9  -27 50 o 75.007  4.0300  691.113    73.075   704.918    125.971  684.111    89.713   74.831  7.0199  74.377  5.0001  0.4531250      8.618632 
1 1 1 -9  -27 51 o 66.681  4.4868  548.624    72.171   690.140    165.987  515.633    80.143   72.812  9.6316  64.458  5.1677  8.354347       10.93034 
1 1 1 -9  -27 52 o 62.987  5.7041  495.511    86.231   586.989    162.486  459.646    101.740  66.577  10.398  60.173  7.1054  6.403934       12.59418 
1 1 1 -9  -27 53 o 68.279  5.6209  582.033    92.295   616.977    167.872  566.894    110.494  68.068  10.502  66.904  6.9058  1.163864       12.56911 
1 1 1 -9  -27 54 o 67.824  4.2179  567.907    69.070   568.609    125.344  567.601    82.771   66.452  7.9304  67.542  5.0879  -1.090027      9.422268 
1 1 1 -9  -27 55 o 53.353  4.6243  354.076    59.272   377.417    111.511  344.885    69.976   53.429  8.9156  52.354  5.5951  1.075047       10.52589 
1 1 1 -9  -27 56 o 51.353  4.6879  328.917    57.770   265.192    112.006  352.013    67.431   43.744  10.652  52.937  5.3218  -9.193264      11.90734 
1 1 1 -9  -27 57 o 25.337  7.2633  84.114     46.959   138.723    96.150   67.009     53.813   32.222  10.611  23.392  7.9427  8.830416       13.25467 
1 1 1 -9  -27 58 o 33.145  6.4057  143.241    49.652   205.257    102.548  124.250    56.748   38.221  10.657  30.491  7.6757  7.730791       13.13344 
1 1 1 -9  -27 59 o 50.729  5.8612  327.984    70.817   294.116    142.008  339.195    81.700   44.589  12.579  51.217  6.7378  -6.627914      14.27010 
1 1 1 -9  -27 60 o 15.244  6.9146  -26.1339   55.362   117.731    123.109  -62.6027   61.983   31.122  11.819  14.384  6.7898  16.73754       13.63013 
1 1 1 -9  -27 61 o 56.279  7.5011  415.034    99.881   359.199    182.787  438.802    119.261  47.850  14.494  57.073  8.9026  -9.222393      17.00978 
1 1 1 -9  -27 62 o 40.966  8.9321  229.295    86.281   109.143    165.973  273.790    101.002  32.506  13.280  44.492  9.6349  -11.98537      16.40739 
1 1 1 -9  -27 63 o 62.955  11.952  570.343    175.891  570.343    175.891  0.0000     0.0000   62.955  11.952  ?       ?       0.000000       11.95179 
1 1 1 -9  -27 64 o 38.669  13.406  219.939    153.522  219.939    153.522  0.0000     0.0000   38.669  13.406  ?       ?       0.000000       13.40584 
1 1 1 -9  -27 65 o 27.366  10.499  84.907     97.766   341.185    355.208  63.902     101.693  44.869  18.964  26.119  10.495  18.74990       21.67433 
1 1 1 -9  -27 66 o 66.890  8.4605  602.890    134.246  1110.47    397.472  537.531    142.628  73.057  21.186  62.114  9.7874  10.94236       23.33766 
1 1 1 -9  -26 1  o 273.202 6.1255  9103.29    406.061  8962.56    579.242  9239.27    569.398  270.315 8.8313  274.551 8.5473  -4.235748      12.29019 
1 1 1 -9  -26 2  o 190.635 4.7657  4422.44    220.441  4356.52    316.205  4484.77    307.480  188.894 6.8990  191.704 6.6103  -2.810287      9.554727 
1 1 1 -9  -26 3  o 66.162  5.5343  536.865    88.030   536.865    88.030   0.0000     0.0000   66.162  5.5343  ?       ?       0.000000       5.534309 
1 1 1 -9  -26 4  o 153.910 6.0832  2887.18    227.174  2887.18    227.174  0.0000     0.0000   153.910 6.0832  ?       ?       0.000000       6.083161 
1 1 1 -9  -26 5  o 324.881 6.8637  12878.75   541.060  12699.39   768.383  13055.15   762.007  321.639 9.8457  326.197 9.6276  -4.557739      13.77051 
1 1 1 -9  -26 6  o 216.288 5.1154  5693.23    268.457  6077.39    383.397  5323.71    376.020  223.147 7.0810  208.791 7.4222  14.35606       10.25816 
1 1 1 -9  -26 7  o 99.940  3.6942  1213.69    89.583   1256.00    131.521  1177.07    122.353  101.436 5.3627  98.212  5.1523  3.224098       7.436750 
1 1 1 -9  -26 8  o 42.604  4.0217  222.578    41.082   216.614    63.088   226.969    54.133   41.672  6.4475  42.857  5.3201  -1.184700      8.359067 
1 1 1 -9  -26 9  o 91.582  3.6092  1019.07    80.203   1093.42    118.123  955.482    109.244  94.650  5.1629  88.466  5.1111  6.184654       7.264884 
1 1 1 -9  -26 10 o 147.364 4.1297  2639.76    147.666  2818.65    212.627  2473.10    205.232  152.136 5.7600  142.489 5.9361  9.646881       8.271308 
1 1 1 -9  -26 11 o 257.438 5.7318  8070.44    358.034  8874.02    509.191  7284.63    503.529  269.527 7.7860  244.039 8.5036  25.48790       11.52964 
1 1 1 -9  -26 12 o 217.714 5.0629  5767.20    267.455  6213.83    380.884  5332.76    375.648  225.698 6.9551  209.009 7.4072  16.68866       10.16067 
1 1 1 -9  -26 13 o 222.783 5.1552  6039.44    278.671  6587.79    396.628  5504.86    391.619  232.378 7.0344  212.322 7.6016  20.05536       10.35695 
1 1 1 -9  -26 14 o 153.010 5.8302  2851.21    216.455  0.0000     0.0000   2851.21    216.455  ?       ?       153.010 5.8302  0.000000       5.830214 
1 1 1 -9  -26 15 o 91.811  4.9553  1028.44    109.982  0.0000     0.0000   1028.44    109.982  ?       ?       91.811  4.9553  0.000000       4.955317 
1 1 1 -9  -26 16 o 58.319  4.9261  416.676    69.055   0.0000     0.0000   416.676    69.055   ?       ?       58.319  4.9261  0.000000       4.926101 
1 1 1 -9  -26 17 o 107.655 3.6824  1408.19    96.188   1401.69    140.027  1413.99    132.358  107.178 5.4019  107.803 5.0600  -0.6259842     7.401631 
1 1 1 -9  -26 18 o 102.862 3.5781  1285.49    89.303   1324.78    127.215  1247.31    125.393  104.350 5.0244  101.118 5.1275  3.231613       7.178828 
1 1 1 -9  -26 19 o 61.063  5.0150  456.682    73.649   333.272    114.242  544.448    96.342   51.354  9.5187  66.585  6.0285  -15.23075      11.26711 
1 1 1 -9  -26 20 o 90.393  5.0054  997.092    109.356  807.594    164.228  1148.05    146.578  80.827  8.5013  96.865  6.2701  -16.03763      10.56347 
1 1 1 -9  -26 21 o 155.375 5.8856  2940.21    221.888  2851.62    323.415  3018.99    304.988  152.409 8.7827  156.980 8.0340  -4.571198      11.90300 
1 1 1 -9  -26 22 o 219.672 7.1933  5888.38    383.413  5901.95    552.494  5875.79    532.513  219.240 10.386  218.842 10.029  0.3978882      14.43739 
1 1 1 -9  -26 23 o 208.369 6.9593  5296.12    351.853  5184.37    507.484  5399.56    488.262  205.526 10.176  209.884 9.5876  -4.357895      13.98141 
1 1 1 -9  -26 24 o 252.862 5.6197  7784.78    344.795  7053.41    495.435  8471.72    480.152  240.142 8.5027  263.415 7.5123  -23.27290      11.34593 
1 1 1 -9  -26 25 o 150.546 4.0528  2754.73    148.044  2474.28    216.762  2999.92    202.677  142.493 6.2694  156.997 5.3204  -14.50464      8.222698 
1 1 1 -9  -26 26 o 89.461  3.3862  972.236    73.503   1008.19    110.625  943.814    98.352   90.890  5.0358  87.973  4.6238  2.916748       6.836581 
1 1 1 -9  -26 27 o 61.272  3.3976  457.466    50.315   536.279    78.495   402.501    65.552   66.212  4.9210  57.329  4.7554  8.883331       6.843298 
1 1 1 -9  -26 28 o 94.810  3.9869  1092.56    91.717   996.095    174.139  1129.59    107.895  89.918  8.0673  96.373  4.6140  -6.455292      9.293600 
1 1 1 -9  -26 29 o 229.762 5.2547  6425.52    292.947  6209.83    423.780  6622.92    405.410  225.443 7.7471  232.938 7.1728  -7.494995      10.55781 
1 1 1 -9  -26 30 o 313.003 6.6007  11948.32   501.308  12245.62   718.835  11666.81   699.476  316.034 9.3741  308.485 9.3449  7.549347       13.23636 
1 1 1 -9  -26 31 o 151.884 5.7821  2810.28    213.091  2606.18    317.974  2976.66    287.098  145.560 9.0478  156.085 7.5806  -10.52518      11.80373 
1 1 1 -9  -26 32 o 71.176  4.9464  619.474    84.895   661.287    135.962  592.756    108.686  73.144  7.7803  69.409  6.5303  3.735458       10.15762 
1 1 1 -9  -26 33 o 188.595 6.5049  4339.37    297.671  4286.99    440.414  4383.42    403.893  186.557 9.7633  189.112 8.8021  -2.554977      13.14529 
1 1 1 -9  -26 34 f 270.438 8.4830  8961.97    556.651  8494.78    808.571  9382.88    767.481  261.670 12.735  275.581 11.478  -13.91089      17.14406 
1 1 1 -9  -26 35 o 124.057 3.8448  1871.23    115.735  1832.99    174.909  1901.01    154.358  122.604 5.8795  124.938 5.0918  -2.333466      7.777878 
1 1 1 -9  -26 36 o 114.446 4.4736  1594.11    124.228  1591.05    157.780  1599.10    201.505  114.224 5.6929  114.094 7.3174  0.1302490      9.271073 
1 1 1 -9  -26 37 o 109.584 3.7107  1460.38    98.665   1598.60    150.499  1356.19    130.661  114.498 5.4171  105.490 5.1047  9.008217       7.443342 
1 1 1 -9  -26 38 o 90.515  3.6930  996.589    81.108   1028.59    125.173  973.430    106.488  91.623  5.6581  89.230  4.9376  2.392807       7.509645 
1 1 1 -9  -26 39 o 76.576  3.7225  713.563    69.166   534.466    108.068  837.833    90.019   65.687  6.8825  82.799  4.4976  -17.11180      8.221769 
1 1 1 -9  -26 40 o 53.824  4.0186  354.805    52.104   344.313    84.385   361.269    66.239   52.559  6.7747  54.161  5.1004  -1.602657      8.479988 
1 1 1 -9  -26 41 o 55.186  3.9633  372.982    52.717   448.800    85.601   326.656    66.912   60.246  5.9328  51.397  5.4485  8.848705       8.055076 
1 1 1 -9  -26 42 o 15.804  6.0515  20.870     32.445   -41.9431   58.319   49.026     39.045   15.139  6.9532  20.443  6.7635  -5.304262      9.700083 
1 1 1 -9  -26 43 o 65.318  3.7908  521.937    59.821   433.610    98.574   573.431    75.266   58.879  7.0394  68.352  4.5644  -9.473511      8.389735 
1 1 1 -9  -26 44 o 71.170  3.7291  619.500    64.173   636.832    103.708  608.747    81.691   71.706  6.0163  70.359  4.8140  1.347382       7.705195 
1 1 1 -9  -26 45 o 86.875  4.5764  926.353    96.128   948.813    127.119  896.355    146.909  87.560  6.0199  84.729  7.2145  2.830887       9.396192 
1 1 1 -9  -26 46 o 56.355  5.7935  395.246    78.092   382.866    123.766  403.435    100.659  54.257  9.7601  56.465  7.5350  -2.208305      12.33031 
1 1 1 -9  -26 47 o 20.781  7.4610  46.199     47.870   -29.6386   85.648   80.652     57.728   19.697  8.7938  25.581  8.2079  -5.884228      12.02915 
1 1 1 -9  -26 48 f 125.411 4.0592  1924.85    123.521  1901.62    193.900  1940.72    160.244  123.663 6.4847  125.557 5.2599  -1.894066      8.349755 
1 1 1 -9  -26 49 o 65.722  4.1069  530.929    65.163   364.758    114.598  610.331    79.216   52.918  9.2624  70.354  4.6669  -17.43606      10.37173 
1 1 1 -9  -26 50 o 27.183  6.5600  95.433     42.773   202.895    85.540   59.606     49.391   39.225  9.1545  22.487  7.6094  16.73799       11.90413 
1 1 1 -9  -26 51 f 91.376  4.4053  1024.83    97.673   1152.70    212.897  990.742    109.924  94.594  9.4000  89.535  5.0807  5.058968       10.68524 
1 1 1 -9  -26 52 o 102.760 5.6434  1310.90    140.172  1351.25    241.917  1290.51    171.985  101.995 9.8999  101.320 7.0394  0.6747131      12.14744 
1 1 1 -9  -26 53 o 124.635 5.9310  1930.18    179.363  1984.48    300.052  1899.98    223.738  123.300 10.118  122.551 7.5611  0.7492599      12.63143 
1 1 1 -9  -26 54 o 56.406  4.9018  395.720    66.422   469.803    158.422  379.920    73.163   58.591  11.554  55.070  5.5510  3.520954       12.81838 
1 1 1 -9  -26 55 o 46.220  4.9245  267.082    54.377   214.628    105.688  285.968    63.415   39.544  10.738  47.647  5.5915  -8.102909      12.10650 
1 1 1 -9  -26 56 o 73.064  4.2850  660.284    75.634   703.917    136.055  640.768    90.989   73.927  7.6978  71.621  5.2729  2.305496       9.330536 
1 1 1 -9  -26 57 o 15.492  6.4957  7.1048     41.139   10.180     89.142   6.2727     46.372   21.956  9.3973  16.254  6.8600  5.702299       11.63479 
1 1 1 -9  -26 58 o 42.720  5.4190  231.340    54.909   67.343     110.082  285.658    63.353   27.289  10.935  47.468  5.6089  -20.17898      12.28981 
1 1 1 -9  -26 59 o 49.247  6.0304  309.797    70.554   345.625    142.713  298.208    81.167   48.771  12.114  47.800  7.2235  0.9711952      14.10442 
1 1 1 -9  -26 60 o 43.310  6.5547  243.010    66.728   367.923    141.592  207.348    75.656   50.475  11.777  39.268  8.2048  11.20685       14.35292 
1 1 1 -9  -26 61 o 12.486  6.0392  -84.8983   55.914   22.421     133.570  -107.7000  61.568   26.342  11.391  12.574  6.1399  13.76823       12.94038 
1 1 1 -9  -26 62 o 33.250  13.139  128.549    156.783  128.549    156.783  0.0000     0.0000   33.250  13.139  ?       ?       0.000000       13.13880 
1 1 1 -9  -26 63 o 32.635  12.725  125.692    145.396  125.692    145.396  0.0000     0.0000   32.635  12.725  ?       ?       0.000000       12.72533 
1 1 1 -9  -26 64 o 68.476  5.3589  590.916    88.328   513.888    189.117  612.407    99.892   58.283  13.618  69.399  5.9909  -11.11578      14.87766 
1 1 1 -9  -26 65 o 37.410  11.261  201.940    110.595  478.374    337.210  168.622    117.070  50.157  19.429  34.577  11.715  15.58043       22.68761 
1 1 1 -9  -25 1  o 16.619  6.0740  27.038     31.915   -32.6015   43.401   97.260     47.094   13.044  5.9938  27.696  7.0035  -14.65223      9.218168 
1 1 1 -9  -25 2  o 99.150  5.4588  1200.57    130.821  1200.57    130.821  0.0000     0.0000   99.150  5.4588  ?       ?       0.000000       5.458808 
1 1 1 -9  -25 3  o 242.070 7.8358  7160.75    460.247  7160.75    460.247  0.0000     0.0000   242.070 7.8358  ?       ?       0.000000       7.835832 
1 1 1 -9  -25 4  o 42.828  4.3128  225.257    44.208   242.634    62.553   207.917    62.487   44.232  5.9817  40.795  6.5332  3.437370       8.858000 
1 1 1 -9  -25 5  o 194.312 4.7674  4592.54    224.772  4890.92    321.407  4306.91    314.459  200.286 6.6136  187.908 6.8969  12.37830       9.555502 
1 1 1 -9  -25 6  o 224.357 5.2578  6125.76    286.227  6326.86    408.283  5931.41    401.378  227.667 7.3909  220.416 7.5049  7.250549       10.53325 
1 1 1 -9  -25 7  o 87.713  3.5809  934.727    76.213   944.820    112.197  926.079    103.848  87.955  5.2817  87.113  4.9333  0.8426819      7.227294 
1 1 1 -9  -25 8  o 101.769 3.6365  1258.35    89.798   1295.08    130.918  1225.71    123.401  103.029 5.2543  100.243 5.0901  2.786461       7.315570 
1 1 1 -9  -25 9  o 103.679 3.6796  1306.05    92.567   1429.55    135.235  1197.18    126.974  108.394 5.1419  99.044  5.3027  9.349602       7.386327 
1 1 1 -9  -25 10 o 21.380  5.4358  57.782     28.262   -24.7720   46.331   106.702    35.666   14.130  6.3750  29.174  5.2305  -15.04392      8.246110 
1 1 1 -9  -25 11 o 275.097 6.0441  9217.97    403.444  9853.85    572.880  8592.31    568.261  283.924 8.3157  264.999 8.8377  18.92560       12.13490 
1 1 1 -9  -25 12 o 91.482  3.5489  1016.72    78.775   1023.53    115.611  1010.82    107.627  91.567  5.2252  91.030  4.8907  0.5370636      7.156915 
1 1 1 -9  -25 13 o 137.224 5.5208  2292.11    183.820  0.0000     0.0000   2292.11    183.820  ?       ?       137.224 5.5208  0.000000       5.520755 
1 1 1 -9  -25 14 o 207.764 6.9322  5264.35    349.465  0.0000     0.0000   5264.35    349.465  ?       ?       207.764 6.9322  0.000000       6.932165 
1 1 1 -9  -25 15 o 40.560  5.4526  203.802    52.303   0.0000     0.0000   203.802    52.303   ?       ?       40.560  5.4526  0.000000       5.452648 
1 1 1 -9  -25 16 o 226.957 5.2071  6267.62    286.751  6798.35    407.810  5748.61    403.283  236.068 7.1196  216.985 7.6598  19.08340       10.45759 
1 1 1 -9  -25 17 o 336.637 7.0841  13823.80   578.640  13659.50   819.623  13987.05   817.023  333.686 10.123  337.719 9.9704  -4.032959      14.20867 
1 1 1 -9  -25 18 o 216.772 5.0404  5716.65    265.113  5600.95    376.158  5830.86    373.707  214.254 7.2356  218.640 7.0443  -4.385483      10.09836 
1 1 1 -9  -25 19 o 45.502  3.7467  253.267    40.998   252.479    58.748   254.015    57.243   45.220  5.4651  45.383  5.2981  -0.1629143     7.611643 
1 1 1 -9  -25 20 o 213.439 7.0398  5556.65    364.585  5579.70    525.202  5535.22    506.509  213.266 10.149  212.488 9.8240  0.7774506      14.12520 
1 1 1 -9  -25 21 o 135.031 5.5135  2219.38    180.645  2020.74    264.947  2391.94    246.945  128.271 8.5619  139.821 7.3042  -11.55058      11.25420 
1 1 1 -9  -25 22 o 87.863  4.9161  941.946    104.387  955.695    156.001  930.799    140.468  88.195  7.3570  87.126  6.6958  1.068947       9.947794 
1 1 1 -9  -25 23 o 276.235 8.5503  9330.83    573.092  8853.96    819.996  9786.18    801.276  267.846 12.617  281.925 11.713  -14.07831      17.21622 
1 1 1 -9  -25 24 o 31.592  6.5833  126.164    48.827   120.238    77.973   129.986    62.626   31.240  9.4673  32.003  8.0674  -0.7628098     12.43836 
1 1 1 -9  -25 25 o 105.021 3.5160  1339.90    89.597   1200.31    133.249  1455.09    121.047  99.146  5.5614  109.393 4.5604  -10.24651      7.192068 
1 1 1 -9  -25 26 f 99.442  3.4207  1201.25    82.538   1360.47    123.309  1072.00    111.096  105.762 4.8051  93.750  4.9009  12.01182       6.863459 
1 1 1 -9  -25 27 o 89.734  3.4203  978.158    74.472   865.532    112.072  1067.21    99.656   84.145  5.5197  93.692  4.3837  -9.546722      7.048697 
1 1 1 -9  -25 28 o 234.074 5.3098  6667.99    301.572  6350.61    435.309  6960.89    418.180  228.010 7.8683  238.844 7.2158  -10.83391      10.67602 
1 1 1 -9  -25 29 o 182.891 4.5061  4067.31    199.966  4037.44    291.809  4093.75    274.567  181.980 6.6086  183.302 6.1733  -1.321640      9.043428 
1 1 1 -9  -25 30 o 55.555  3.6625  376.640    49.093   376.037    77.651   377.042    63.363   55.256  5.8821  55.474  4.7533  -0.2185211     7.562657 
1 1 1 -9  -25 31 o 242.831 5.4617  7178.76    321.808  7034.04    465.048  7311.73    445.774  239.897 7.9893  244.693 7.5081  -4.795197      10.96359 
1 1 1 -9  -25 32 o 99.311  5.0318  1203.22    120.855  1285.20    187.304  1144.74    158.191  102.295 7.6005  96.637  6.7896  5.658043       10.19145 
1 1 1 -9  -25 33 o 29.937  7.4410  113.780    53.816   172.517    90.435   81.575     66.964   36.860  9.9012  26.559  8.8608  10.30073       13.28711 
1 1 1 -9  -25 34 o 167.210 6.1958  3408.90    251.376  3044.80    376.555  3701.60    337.623  157.118 9.9284  173.953 7.9990  -16.83514      12.74975 
1 1 1 -9  -25 35 o 290.761 6.3060  10312.60   444.892  10118.88   641.475  10492.15   617.551  287.138 9.2072  292.566 8.6993  -5.428467      12.66688 
1 1 1 -9  -25 36 o 199.986 4.8038  4868.58    233.103  5033.04    341.682  4725.39    318.820  202.964 6.9381  196.713 6.6796  6.250549       9.630860 
1 1 1 -9  -25 37 o 69.949  3.6976  596.554    62.534   604.615    97.412   590.903    81.559   70.175  5.7721  69.490  4.8678  0.6850586      7.550661 
1 1 1 -9  -25 38 f 67.951  3.7680  563.295    61.882   546.206    97.878   574.674    79.871   66.603  6.1253  68.515  4.8354  -1.912422      7.803869 
1 1 1 -9  -25 39 o 85.749  3.7307  894.530    77.622   818.086    120.387  948.923    101.550  81.588  6.1259  88.114  4.7675  -6.525696      7.762469 
1 1 1 -9  -25 40 o 111.389 3.8613  1510.35    104.362  1394.82    158.775  1598.23    138.478  106.594 6.1651  114.456 4.9863  -7.861626      7.929182 
1 1 1 -9  -25 41 o 141.416 4.1169  2436.73    141.263  2405.71    213.960  2460.70    188.083  140.109 6.2936  141.877 5.4635  -1.767365      8.334275 
1 1 1 -9  -25 42 o 116.574 3.8257  1655.67    108.213  1756.32    167.011  1582.85    142.068  119.747 5.7480  113.787 5.1456  5.960136       7.714725 
1 1 1 -9  -25 43 o 58.929  3.8443  425.109    54.667   359.964    90.139   463.011    68.754   53.586  7.1080  61.389  4.6503  -7.802418      8.494069 
1 1 1 -9  -25 44 o 87.966  3.7374  943.584    79.771   902.222    128.022  969.836    101.991  85.417  6.2197  88.920  4.7443  -3.503235      7.822565 
1 1 1 -9  -25 45 o 68.823  3.8306  579.816    63.715   536.693    104.729  605.157    80.282   65.603  6.6722  70.151  4.7444  -4.548584      8.186982 
1 1 1 -9  -25 46 o 62.684  5.5512  486.834    83.559   443.098    132.820  515.482    107.498  58.548  9.6883  64.129  7.0233  -5.580830      11.96623 
1 1 1 -9  -25 47 o 80.509  5.4341  800.959    105.532  806.766    164.988  796.938    137.291  79.704  8.6711  79.773  7.1694  -0.6926727E-01 11.25119 
1 1 1 -9  -25 48 o 17.993  7.3133  17.408     50.004   116.023    84.991   -34.7993   61.840   30.529  9.9728  16.029  7.2848  14.50082       12.35010 
1 1 1 -9  -25 49 o 151.882 4.4333  2828.07    163.378  2740.49    253.907  2889.96    213.431  148.333 7.0546  152.993 5.7494  -4.659195      9.100698 
1 1 1 -9  -25 50 o 74.219  4.0839  676.458    73.263   736.454    128.070  647.276    89.321   76.597  6.9670  72.345  5.1215  4.252586       8.646880 
1 1 1 -9  -25 51 o 89.924  4.0786  990.534    88.992   956.313    152.523  1008.20    109.577  87.177  7.2771  90.368  5.0171  -3.191360      8.838976 
1 1 1 -9  -25 52 o 88.215  5.5771  965.792    118.760  1034.92    210.801  933.650    143.742  89.257  9.9002  86.204  6.9307  3.052383       12.08506 
1 1 1 -9  -25 53 o 22.825  7.9577  59.990     54.132   -9.9270    117.566  78.801     60.981   24.120  10.555  25.399  8.4548  -1.279526      13.52352 
1 1 1 -9  -25 54 o 53.103  6.2931  356.301    79.508   165.778    155.117  424.193    92.597   36.636  13.391  57.847  6.7223  -21.21199      14.98328 
1 1 1 -9  -25 55 o 49.723  4.8328  308.155    57.570   206.391    112.620  344.155    66.983   38.788  11.286  52.424  5.3404  -13.63644      12.48552 
1 1 1 -9  -25 56 o 29.619  6.7218  114.619    47.201   277.555    99.633   67.468     53.597   45.470  9.3430  23.529  7.9270  21.94111       12.25270 
1 1 1 -9  -25 57 o 22.834  7.2596  65.796     45.239   156.155    97.558   41.043     51.061   33.950  10.644  20.280  7.6324  13.66999       13.09783 
1 1 1 -9  -25 58 o 41.308  5.6204  217.006    54.871   168.736    110.922  232.645    63.137   35.050  11.390  42.554  6.3056  -7.504086      13.01921 
1 1 1 -9  -25 59 f 15.776  6.9358  -8.9509    51.291   -98.6159   124.850  9.2546     56.257   20.806  9.7633  17.894  7.5542  2.911501       12.34455 
1 1 1 -9  -25 60 o 20.849  7.9779  42.404     56.365   126.942    130.747  23.107     62.468   32.199  12.191  19.774  8.1210  12.42459       14.64838 
1 1 1 -9  -25 61 o 43.979  8.6924  261.046    89.470   279.911    168.920  253.690    105.481  43.030  14.060  42.551  10.322  0.4789162      17.44188 
1 1 1 -9  -25 62 o 48.253  14.293  358.160    179.231  358.160    179.231  0.0000     0.0000   48.253  14.293  ?       ?       0.000000       14.29330 
1 1 1 -9  -25 63 o 89.529  4.9736  1001.36    107.617  1074.23    214.008  976.690    124.504  88.924  10.098  87.921  5.8699  1.003777       11.67971 
1 1 1 -9  -25 64 o 44.642  6.9415  259.784    72.747   231.170    156.359  267.689    82.183   39.666  13.539  44.930  7.8226  -5.264389      15.63602 
1 1 1 -9  -25 65 o 29.979  10.711  116.173    98.544   796.218    364.775  62.635     102.349  63.350  20.659  26.176  10.525  37.17427       23.18551 
1 1 1 -9  -24 1  o 58.090  5.4773  414.419    76.291   414.419    76.291   0.0000     0.0000   58.090  5.4773  ?       ?       0.000000       5.477255 
1 1 1 -9  -24 2  o 150.013 6.0234  2741.32    219.247  2741.32    219.247  0.0000     0.0000   150.013 6.0234  ?       ?       0.000000       6.023361 
1 1 1 -9  -24 3  o 141.412 4.0597  2430.50    139.296  2524.41    199.985  2342.01    194.135  143.989 5.7240  138.686 5.7691  5.303360       8.126949 
1 1 1 -9  -24 4  f 299.259 6.5247  10915.28   473.777  11274.81   672.914  10561.85   667.166  303.477 9.1384  293.659 9.3633  9.817688       13.08361 
1 1 1 -9  -24 5  o 295.523 6.4072  10642.17   459.437  11058.23   653.025  10234.38   646.507  300.616 8.9527  289.127 9.2155  11.48846       12.84823 
1 1 1 -9  -24 6  o 272.968 6.8574  9085.12    454.187  9306.69    560.591  8661.82    774.847  275.938 8.3728  265.156 12.043  10.78229       14.66793 
1 1 1 -9  -24 7  o 79.405  4.0600  768.273    77.962   788.464    99.691   736.481    125.093  80.341  5.1409  77.440  6.7242  2.900810       8.464222 
1 1 1 -9  -24 8  o 175.700 4.4524  3753.12    189.814  3937.49    271.474  3576.78    265.502  179.784 6.2232  171.333 6.3865  8.451431       8.917145 
1 1 1 -9  -24 9  o 178.607 4.5125  3878.55    195.561  4113.29    279.397  3653.09    273.818  183.749 6.2666  173.136 6.5179  10.61305       9.041802 
1 1 1 -9  -24 10 o 367.513 7.5761  16486.30   675.589  17463.56   957.661  15518.10   953.208  377.213 10.463  355.344 11.055  21.86911       15.22168 
1 1 1 -9  -24 11 o 162.026 4.2678  3191.15    167.785  3389.61    239.970  3001.33    234.687  166.839 5.9278  156.969 6.1618  9.869843       8.550295 
1 1 1 -9  -24 12 o 31.403  5.9210  124.015    43.462   0.0000     0.0000   124.015    43.462   ?       ?       31.403  5.9210  0.000000       5.920999 
1 1 1 -9  -24 13 o 100.326 4.9253  1224.31    119.899  0.0000     0.0000   1224.31    119.899  ?       ?       100.326 4.9253  0.000000       4.925344 
1 1 1 -9  -24 14 o 187.229 6.4826  4272.03    294.501  0.0000     0.0000   4272.03    294.501  ?       ?       187.229 6.4826  0.000000       6.482606 
1 1 1 -9  -24 15 f 241.061 5.4370  7072.34    318.016  7383.35    451.823  6766.99    447.691  245.939 7.5714  235.398 7.8381  10.54068       10.89781 
1 1 1 -9  -24 16 o 71.254  3.3868  616.712    58.555   568.797    83.689   662.665    81.957   68.188  5.0950  73.679  4.6075  -5.490929      6.869331 
1 1 1 -9  -24 17 o 76.062  3.4229  702.778    63.172   685.050    90.358   719.727    88.353   74.878  5.0021  76.782  4.7659  -1.904381      6.909092 
1 1 1 -9  -24 18 o 236.961 5.3791  6833.33    309.278  6746.56    438.622  6919.12    436.158  235.073 7.6900  238.087 7.5499  -3.014404      10.77669 
1 1 1 -9  -24 19 o 182.178 4.5066  4035.22    199.211  4062.95    283.086  4008.01    280.387  182.603 6.3892  181.367 6.3714  1.236557       9.023123 
1 1 1 -9  -24 20 o 93.466  3.4850  1061.21    79.035   1086.31    113.445  1037.54    110.171  94.371  4.9718  92.226  4.9412  2.144958       7.009583 
1 1 1 -9  -24 21 o 28.507  6.8270  103.051    46.599   195.337    76.862   49.417     58.596   39.249  8.3286  22.467  8.2273  16.78201       11.70704 
1 1 1 -9  -24 22 o 159.493 5.9378  3097.68    229.790  2769.15    333.301  3395.31    317.238  150.135 9.1936  166.749 7.8407  -16.61397      12.08303 
1 1 1 -9  -24 23 o 361.734 10.683  16066.09   937.665  15465.83   1335.26  16650.08   1317.05  352.541 15.610  366.241 14.821  -13.70068      21.52473 
1 1 1 -9  -24 24 o 179.110 6.3224  3908.38    274.766  3648.85    397.423  4146.02    380.299  172.345 9.5408  184.162 8.5106  -11.81743      12.78506 
1 1 1 -9  -24 25 o 177.234 6.2816  3826.71    270.135  3625.08    390.157  4012.36    374.389  171.814 9.3943  181.168 8.5168  -9.354752      12.68029 
1 1 1 -9  -24 26 o 72.484  3.3375  638.149    58.698   549.379    89.082   706.265    78.034   66.959  5.5326  76.109  4.2424  -9.150215      6.971937 
1 1 1 -9  -24 27 o 255.005 5.5810  7915.12    345.324  8014.34    496.803  7822.37    480.336  256.158 7.9931  253.107 7.8213  3.050491       11.18307 
1 1 1 -9  -24 28 o 290.175 6.2204  10257.36   437.970  10113.88   628.268  10393.00   610.865  287.493 9.0064  291.534 8.6356  -4.040649      12.47755 
1 1 1 -9  -24 29 o 294.632 6.3468  10577.13   453.730  10207.18   650.954  10926.70   632.774  288.724 9.2919  298.889 8.7252  -10.16541      12.74629 
1 1 1 -9  -24 30 o 127.883 3.8211  1987.23    118.568  1875.56    176.391  2079.28    160.146  124.105 5.8576  130.734 5.0485  -6.628700      7.733008 
1 1 1 -9  -24 31 o 154.397 4.1384  2897.58    155.038  2752.96    228.852  3020.26    210.776  150.310 6.2749  157.516 5.5148  -7.206238      8.353876 
1 1 1 -9  -24 32 o 55.525  5.2598  378.547    70.019   425.559    115.782  351.440    87.917   58.408  8.4124  53.228  6.9750  5.179195       10.92793 
1 1 1 -9  -24 33 o 119.267 5.2388  1731.27    151.605  1862.13    234.164  1636.83    198.924  123.199 7.8746  115.595 7.1270  7.603333       10.62087 
1 1 1 -9  -24 34 o 227.376 7.5215  6315.45    414.964  5782.65    608.401  6778.92    567.434  216.247 11.638  234.968 9.9527  -18.72133      15.31337 
1 1 1 -9  -24 35 o 173.950 6.3120  3689.74    266.412  3608.61    397.717  3755.78    358.807  171.194 9.6135  175.149 8.4428  -3.955261      12.79458 
1 1 1 -9  -24 36 o 201.141 4.8151  4923.88    235.001  5059.15    344.177  4805.74    321.649  203.534 6.9692  198.424 6.6807  5.109879       9.654081 
1 1 1 -9  -24 37 o 218.529 5.0966  5815.89    270.241  5935.81    395.047  5710.41    370.489  220.307 7.3902  216.158 7.0638  4.148529       10.22315 
1 1 1 -9  -24 38 o 89.561  3.6753  975.262    79.868   987.813    123.951  966.352    104.440  89.817  5.7174  88.947  4.8576  0.8699036      7.502265 
1 1 1 -9  -24 39 o 139.622 4.1411  2372.45    140.292  2063.00    210.911  2618.02    187.886  129.698 6.7251  146.527 5.2846  -16.82889      8.552996 
1 1 1 -9  -24 40 o 174.936 4.5401  3728.63    192.710  3613.39    286.682  3823.64    260.292  171.737 6.8797  176.855 6.0657  -5.117691      9.171876 
1 1 1 -9  -24 41 o 53.405  3.9074  349.110    50.282   380.668    82.570   330.509    63.391   55.418  6.2497  51.787  5.1114  3.630459       8.073711 
1 1 1 -9  -24 42 o 107.712 3.7793  1412.97    98.772   1457.54    154.540  1382.19    128.426  108.949 5.8675  106.382 4.9753  2.566719       7.692968 
1 1 1 -9  -24 43 o 92.363  3.7153  1039.35    83.264   1142.08    132.090  971.615    107.256  96.388  5.6728  89.016  4.9858  7.372063       7.552454 
1 1 1 -9  -24 44 o 16.224  6.2120  22.123     34.188   10.239     61.649   27.401     41.083   19.112  7.9779  17.858  6.8164  1.254753       10.49329 
1 1 1 -9  -24 45 o 33.213  5.1090  138.217    39.854   174.944    71.566   121.708    47.982   36.806  8.2210  30.846  6.6097  5.959940       10.54861 
1 1 1 -9  -24 46 o 43.621  6.3658  239.457    65.393   299.187    107.175  204.033    82.536   47.977  9.5424  39.630  8.8114  8.346725       12.98843 
1 1 1 -9  -24 47 o 94.255  5.5136  1096.45    125.547  990.211    191.563  1176.44    166.223  88.278  9.0724  97.111  7.1036  -8.833870      11.52256 
1 1 1 -9  -24 48 o 22.213  7.5902  57.117     49.147   -72.5208   86.757   118.379    59.639   17.830  8.2915  30.226  8.0050  -12.39521      11.52512 
1 1 1 -9  -24 49 o 86.258  3.8773  909.689    81.151   802.869    133.016  973.017    102.419  80.091  6.9125  88.912  4.7647  -8.821533      8.395551 
1 1 1 -9  -24 50 o 15.331  6.3993  6.5940     39.664   116.066    82.675   -26.1376   45.207   30.409  9.8294  13.704  6.2283  16.70559       11.63654 
1 1 1 -9  -24 51 o 47.586  4.8590  281.129    55.316   234.490    104.293  299.384    65.249   41.937  10.319  48.946  5.5945  -7.009052      11.73841 
1 1 1 -9  -24 52 o 40.807  5.2234  208.468    50.532   237.557    100.974  198.749    58.367   42.223  10.009  39.558  6.2916  2.664734       11.82183 
1 1 1 -9  -24 53 o 40.521  7.3015  211.646    69.148   387.390    136.678  151.190    80.164   53.715  10.860  33.820  9.4197  19.89525       14.37605 
1 1 1 -9  -24 54 o 27.967  8.4047  101.046    61.642   173.685    126.437  78.397     70.600   36.409  12.176  25.888  9.0844  10.52165       15.19119 
1 1 1 -9  -24 55 o 29.223  6.7499  111.231    46.897   16.890     98.155   139.137    53.384   23.495  9.9516  32.698  6.9432  -9.203138      12.13438 
1 1 1 -9  -24 56 o 44.286  5.3460  246.805    56.284   31.753     118.218  309.838    64.003   26.102  10.981  49.670  5.3974  -23.56879      12.23593 
1 1 1 -9  -24 57 o 33.078  6.2267  141.398    48.142   54.546     104.688  164.690    54.215   26.258  10.614  35.676  6.5024  -9.418734      12.44729 
1 1 1 -9  -24 58 o 39.793  5.6617  201.588    53.124   152.020    115.050  215.020    59.891   33.804  11.612  40.929  6.2271  -7.124825      13.17603 
1 1 1 -9  -24 59 o 24.160  8.3249  71.301     59.158   -10.2772   161.673  83.912     63.567   27.243  12.128  25.770  8.6331  1.472858       14.88718 
1 1 1 -9  -24 60 o 54.007  5.9878  371.209    77.145   486.981    166.939  339.772    86.991   58.176  12.215  51.114  7.2147  7.061733       14.18684 
1 1 1 -9  -24 61 o 25.466  11.496  -33.1089   150.913  -33.1089   150.913  0.0000     0.0000   25.466  11.496  ?       ?       0.000000       11.49583 
1 1 1 -9  -24 62 o 34.020  14.030  114.779    187.406  114.779    187.406  0.0000     0.0000   34.020  14.030  ?       ?       0.000000       14.02978 
1 1 1 -9  -24 63 o 107.246 4.9132  1431.01    127.853  1380.89    244.639  1449.84    149.963  101.021 10.116  107.300 5.7813  -6.278442      11.65184 
1 1 1 -9  -24 64 o 84.189  4.9537  885.795    100.747  852.510    200.724  897.004    116.482  78.488  10.828  84.311  5.7279  -5.822777      12.24980 
1 1 1 -9  -24 65 o 25.003  8.1991  80.432     57.427   31.157     140.859  90.254     62.891   27.211  11.732  26.315  8.5779  0.8953915      14.53358 
1 1 1 -9  -23 1  o 215.648 7.1809  5673.17    375.743  5673.17    375.743  0.0000     0.0000   215.648 7.1809  ?       ?       0.000000       7.180943 
1 1 1 -9  -23 2  o 286.365 6.2396  9989.82    433.553  9706.43    616.338  10267.39   609.984  281.646 9.0189  289.762 8.6759  -8.116455      12.51442 
1 1 1 -9  -23 3  o 326.099 6.9674  12966.81   551.292  13065.49   782.726  12869.66   776.600  326.506 9.8800  324.050 9.8769  2.455170       13.97021 
1 1 1 -9  -23 4  o 183.394 4.5473  4089.17    202.350  4324.44    289.174  3863.44    283.250  188.408 6.3255  178.055 6.5562  10.35284       9.110208 
1 1 1 -9  -23 5  o 128.084 3.8474  1993.37    119.571  2163.60    172.147  1834.69    166.206  133.348 5.3204  122.777 5.5791  10.57137       7.709336 
1 1 1 -9  -23 6  o 154.958 4.1253  2918.26    155.107  3200.51    222.107  2649.58    216.700  162.154 5.6451  147.503 6.0547  14.65146       8.278086 
1 1 1 -9  -23 7  o 78.110  3.4288  741.107    64.986   803.936    95.790   687.530    88.456   81.157  4.8872  75.029  4.8855  6.127983       6.910316 
1 1 1 -9  -23 8  o 48.431  3.7125  286.642    43.295   323.217    66.566   259.825    56.999   51.252  5.4357  45.921  5.2076  5.330738       7.527699 
1 1 1 -9  -23 9  o 124.546 3.8117  1884.74    115.190  2020.56    166.256  1759.34    159.746  128.863 5.3172  120.235 5.4757  8.628716       7.632539 
1 1 1 -9  -23 10 o 252.353 5.5886  7751.29    342.196  7966.31    486.131  7540.10    481.775  255.424 7.8438  248.467 7.9912  6.956924       11.19750 
1 1 1 -9  -23 11 o 260.078 8.1037  8263.04    511.387  0.0000     0.0000   8263.04    511.387  ?       ?       260.078 8.1037  0.000000       8.103678 
1 1 1 -9  -23 12 o 243.379 7.7405  7231.55    457.105  0.0000     0.0000   7231.55    457.105  ?       ?       243.379 7.7405  0.000000       7.740501 
1 1 1 -9  -23 13 o 146.904 5.6490  2626.96    201.357  0.0000     0.0000   2626.96    201.357  ?       ?       146.904 5.6490  0.000000       5.648960 
1 1 1 -9  -23 14 o 119.687 3.7390  1740.46    108.583  1909.75    156.563  1583.56    150.723  125.291 5.1500  114.071 5.4455  11.21954       7.495047 
1 1 1 -9  -23 15 o 207.872 4.8916  5255.44    246.721  5226.97    350.253  5283.48    347.596  207.042 6.9720  208.172 6.8816  -1.129715      9.796185 
1 1 1 -9  -23 16 o 184.636 4.5134  4144.67    202.202  4201.81    287.226  4088.52    284.705  185.709 6.3742  183.185 6.4053  2.524490       9.036519 
1 1 1 -9  -23 17 o 203.953 4.8193  5058.75    238.492  5164.27    338.566  4954.82    336.005  205.826 6.7792  201.596 6.8691  4.229889       9.651038 
1 1 1 -9  -23 18 o 116.149 3.6809  1639.01    103.736  1571.87    147.724  1704.33    145.706  113.656 5.3567  118.366 5.0733  -4.710175      7.377810 
1 1 1 -9  -23 19 o 141.016 3.8004  2416.16    130.034  2664.78    190.006  2197.14    178.339  147.988 5.2915  134.364 5.4702  13.62465       7.610667 
1 1 1 -9  -23 20 o 241.024 5.3366  7068.88    312.099  6996.48    448.167  7137.06    434.883  239.398 7.7153  241.850 7.4108  -2.451279      10.69794 
1 1 1 -9  -23 21 o 257.162 5.5912  8049.54    348.882  8039.56    500.514  8058.97    486.568  256.556 8.0403  256.915 7.8053  -0.3594055     11.20575 
1 1 1 -9  -23 22 o 243.358 7.6705  7229.06    452.929  7364.83    648.777  7099.97    632.606  244.867 10.919  240.444 10.843  4.422913       15.38856 
1 1 1 -9  -23 23 o 131.049 5.3792  2089.78    171.046  2045.65    249.442  2128.94    234.994  129.182 7.9973  131.896 7.3723  -2.713760      10.87695 
1 1 1 -9  -23 24 o 47.880  5.2786  282.290    60.307   290.109    92.911   276.597    79.276   48.066  8.2644  47.097  7.1629  0.9689751      10.93651 
1 1 1 -9  -23 25 o 76.539  4.9105  715.387    90.715   692.705    137.283  732.966    120.860  74.955  7.6559  77.290  6.5051  -2.335045      10.04633 
1 1 1 -9  -23 26 o 146.364 4.4611  2604.26    158.432  2982.46    288.463  2440.89    189.587  156.329 7.6047  141.623 5.5171  14.70665       9.395252 
1 1 1 -9  -23 27 o 120.232 3.6540  1756.18    106.599  1763.71    158.249  1749.93    144.231  120.392 5.4173  119.950 4.9556  0.4419250      7.341991 
1 1 1 -9  -23 28 f 180.976 4.4160  3981.48    193.918  4085.90    282.807  3888.81    266.409  183.138 6.3643  178.691 6.1444  4.446426       8.846356 
1 1 1 -9  -23 29 o 324.068 6.8296  12802.39   537.025  12461.85   768.813  13126.87   750.456  318.877 9.9365  327.434 9.4458  -8.556946      13.70975 
1 1 1 -9  -23 30 o 277.620 6.0128  9385.78    405.033  9400.85    582.796  9371.71    563.306  277.283 8.6622  276.921 8.3835  0.3620300      12.05476 
1 1 1 -9  -23 31 o 210.419 4.9066  5385.30    250.514  5533.37    364.434  5252.66    344.931  213.004 7.0513  207.561 6.8489  5.442551       9.829968 
1 1 1 -9  -23 32 o 78.438  3.5431  747.444    67.433   809.199    104.342  703.151    88.366   81.373  5.3138  75.882  4.8244  5.490929       7.177114 
1 1 1 -9  -23 33 o 250.925 7.9309  7692.13    482.867  7628.55    704.229  7748.53    663.357  248.884 11.661  251.073 10.889  -2.189163      15.95487 
1 1 1 -9  -23 34 o 70.705  5.3984  612.060    91.915   432.093    144.949  733.098    118.872  58.428  10.615  77.292  6.3959  -18.86399      12.39322 
1 1 1 -9  -23 35 o 71.241  5.3564  621.330    91.913   662.927    145.767  593.877    118.422  73.148  8.3631  69.393  7.1348  3.755554       10.99307 
1 1 1 -9  -23 36 o 19.321  6.7771  40.125     39.290   43.840     61.505   37.564     51.067   22.196  8.3718  20.367  7.6391  1.829596       11.33326 
1 1 1 -9  -23 37 o 111.172 3.7674  1502.35    101.624  1599.29    154.431  1428.32    134.963  114.570 5.5552  108.307 5.1357  6.263550       7.565386 
1 1 1 -9  -23 38 o 156.398 4.2390  2975.61    160.865  2956.77    240.548  2990.85    216.363  155.637 6.3698  156.628 5.6931  -0.9904327     8.543169 
1 1 1 -9  -23 39 o 25.974  6.0397  85.642     37.344   40.274     65.358   107.633    45.503   22.255  8.5723  29.108  6.5954  -6.852173      10.81590 
1 1 1 -9  -23 40 o 74.787  3.6811  680.326    66.799   723.531    107.237  652.932    85.389   76.762  5.8003  73.037  4.8458  3.724770       7.558133 
1 1 1 -9  -23 41 o 62.816  3.7906  481.974    57.506   525.339    92.273   454.435    73.532   65.295  5.8875  60.828  5.0271  4.466679       7.741679 
1 1 1 -9  -23 42 o 66.977  3.7528  547.864    60.742   617.992    99.325   505.968    76.771   70.833  5.8308  64.190  4.9677  6.642929       7.660065 
1 1 1 -9  -23 43 o 111.960 3.8328  1527.20    104.121  1592.65    162.335  1481.46    135.714  113.858 5.8962  110.095 5.0803  3.763382       7.783023 
1 1 1 -9  -23 44 o 84.270  3.6875  865.373    75.399   1056.51    121.782  746.562    96.015   92.717  5.4370  77.951  5.1045  14.76624       7.457709 
1 1 1 -9  -23 45 o 103.725 3.8717  1312.44    97.444   1151.84    153.374  1421.14    126.184  96.460  6.5925  107.773 4.8254  -11.31283      8.169788 
1 1 1 -9  -23 46 o 44.775  6.2536  251.600    66.086   215.825    107.414  273.390    83.829   40.516  10.749  46.336  7.7283  -5.819927      13.23897 
1 1 1 -9  -23 47 o 64.740  5.6460  519.384    87.803   419.798    136.434  589.787    114.715  56.746  10.288  68.656  6.9834  -11.90990      12.43391 
1 1 1 -9  -23 48 o 13.427  6.0887  -23.9858   42.895   22.101     77.874   -44.0592   51.394   21.952  9.0473  13.769  6.3958  8.182887       11.07971 
1 1 1 -9  -23 49 o 24.749  6.2573  78.661     37.597   -37.7461   70.638   124.673    44.410   17.207  7.8071  31.259  6.0740  -14.05175      9.891651 
1 1 1 -9  -23 50 o 64.006  4.2529  503.847    65.674   594.813    120.349  465.271    78.372   68.710  7.3320  61.256  5.3259  7.453217       9.062144 
1 1 1 -9  -23 51 o 92.400  4.0858  1045.21    91.604   998.814    156.702  1069.30    112.905  89.176  7.3062  93.117  5.0156  -3.940971      8.862121 
1 1 1 -9  -23 52 o 14.754  6.3008  0.1350     39.917   -61.7004   85.274   17.486     45.171   18.043  8.3309  17.273  6.9755  0.7703571      10.86557 
1 1 1 -9  -23 53 o 10.928  5.3266  -81.7098   45.759   25.114     100.993  -109.3042  51.330   24.445  10.208  10.946  5.3970  13.49962       11.54694 
1 1 1 -9  -23 54 o 74.257  5.8468  688.323    104.495  1050.95    197.646  547.638    123.107  90.169  9.1610  65.402  7.9191  24.76714       12.10929 
1 1 1 -9  -23 55 o 28.648  7.0233  107.127    48.444   1.8360     130.767  123.876    52.155   25.802  11.214  30.800  7.1210  -4.997887      13.28400 
1 1 1 -9  -23 56 o 32.243  6.8348  135.396    51.812   124.773    137.493  137.155    55.935   33.037  12.503  32.340  7.3011  0.6970329      14.47902 
1 1 1 -9  -23 57 o 36.407  6.5522  171.336    55.752   190.141    164.832  168.907    59.243   37.958  13.814  35.989  7.0366  1.969872       15.50317 
1 1 1 -9  -23 58 o 33.410  6.5401  145.205    51.120   112.153    113.700  153.579    57.231   30.754  11.425  34.200  7.1279  -3.445761      13.46645 
1 1 1 -9  -23 59 o 46.015  7.2101  275.579    77.857   0.0000     0.0000   275.579    77.857   ?       ?       46.015  7.2101  0.000000       7.210089 
1 1 1 -9  -23 60 o 34.184  13.313  138.954    158.995  138.954    158.995  0.0000     0.0000   34.184  13.313  ?       ?       0.000000       13.31334 
1 1 1 -9  -23 61 f 25.832  11.472  -10.5294   143.751  -10.5294   143.751  0.0000     0.0000   25.832  11.472  ?       ?       0.000000       11.47169 
1 1 1 -9  -23 62 o 40.926  9.7715  230.838    95.695   194.467    184.344  244.255    111.962  38.096  14.463  41.612  10.943  -3.515797      18.13670 
1 1 1 -9  -23 63 o 30.990  8.3167  129.139    63.841   -176.8011  177.060  174.856    68.445   23.333  11.146  36.159  8.0120  -12.82625      13.72642 
1 1 1 -9  -23 64 o 35.271  8.0186  166.921    67.071   127.579    151.587  176.498    74.790   33.120  12.972  36.062  8.6569  -2.942200      15.59504 
1 1 1 -9  -23 65 o 44.479  6.6527  256.816    69.594   299.305    169.868  248.246    76.290   44.143  14.071  43.336  7.5284  0.8067780      15.95828 
1 1 1 -9  -22 1  o 150.001 4.8578  2736.30    176.805  2672.59    216.116  2865.24    307.452  148.150 6.0120  152.919 8.3174  -4.768967      10.26276 
1 1 1 -9  -22 2  o 53.692  3.6842  351.871    47.707   355.211    68.588   348.741    66.402   53.771  5.3270  53.290  5.2016  0.4810829      7.445389 
1 1 1 -9  -22 3  o 90.680  3.5071  998.827    77.164   1082.45    113.114  926.040    105.533  94.210  4.9658  87.113  5.0139  7.097046       7.056814 
1 1 1 -9  -22 4  o 75.916  3.4201  700.018    62.999   784.617    92.426   626.606    86.099   80.186  4.7720  71.605  4.9867  8.581390       6.902066 
1 1 1 -9  -22 5  o 218.173 5.0733  5789.82    268.567  6274.23    382.349  5318.06    377.323  226.859 6.9461  208.783 7.4483  18.07614       10.18451 
1 1 1 -9  -22 6  o 184.104 4.5524  4120.75    203.363  4492.47    289.961  3760.91    285.294  192.053 6.2223  175.668 6.6933  16.38560       9.138764 
1 1 1 -9  -22 7  o 32.644  4.1333  131.566    32.005   144.415    51.365   123.411    40.919   33.868  6.4867  31.379  5.5787  2.488890       8.555651 
1 1 1 -9  -22 8  o 338.487 7.0037  13970.19   575.219  14990.03   815.713  12961.43   811.271  349.851 9.6093  325.096 10.285  24.75516       14.07524 
1 1 1 -9  -22 9  o 279.512 6.0427  9513.72    409.822  10357.39   581.566  8681.49    577.606  291.180 8.2314  266.420 8.9351  24.75940       12.14876 
1 1 1 -9  -22 10 o 208.877 6.9416  5318.88    351.816  0.0000     0.0000   5318.88    351.816  ?       ?       208.877 6.9416  0.000000       6.941635 
1 1 1 -9  -22 11 o 244.498 7.7668  7295.95    460.767  0.0000     0.0000   7295.95    460.767  ?       ?       244.498 7.7668  0.000000       7.766811 
1 1 1 -9  -22 12 o 276.221 8.4677  9321.59    567.526  0.0000     0.0000   9321.59    567.526  ?       ?       276.221 8.4677  0.000000       8.467698 
1 1 1 -9  -22 13 o 226.301 5.1630  6229.12    283.498  6559.60    403.225  5906.07    398.667  231.950 7.1645  220.045 7.4668  11.90465       10.34813 
1 1 1 -9  -22 14 o 194.810 4.6996  4613.98    222.145  4783.48    315.564  4447.46    312.775  198.157 6.5632  191.048 6.7472  7.108887       9.412789 
1 1 1 -9  -22 15 o 184.306 4.5405  4129.22    203.052  4101.93    288.483  4156.02    285.853  183.509 6.4789  184.727 6.3775  -1.217606      9.091077 
1 1 1 -9  -22 16 o 182.743 4.5173  4059.37    200.302  4119.38    284.521  4000.41    282.035  183.911 6.3759  181.232 6.4136  2.679321       9.043628 
1 1 1 -9  -22 17 o 190.370 4.6472  4405.86    214.661  4268.31    304.675  4541.45    302.491  187.165 6.7088  193.092 6.4563  -5.926514      9.310871 
1 1 1 -9  -22 18 o 219.441 4.9630  5856.01    264.258  5916.18    379.953  5799.63    367.778  220.290 7.1084  218.133 6.9487  2.157104       9.940476 
1 1 1 -9  -22 19 o 270.258 5.8262  8890.63    382.058  8839.03    546.854  8939.83    533.999  268.998 8.3784  270.580 8.1336  -1.582672      11.67697 
1 1 1 -9  -22 20 o 240.199 5.3293  7019.38    310.603  6814.26    445.973  7212.60    432.840  236.289 7.7786  243.177 7.3357  -6.888580      10.69200 
1 1 1 -9  -22 21 o 213.365 4.9058  5536.42    253.980  5462.08    365.956  5605.50    352.769  211.644 7.1262  214.457 6.7793  -2.812302      9.835761 
1 1 1 -9  -22 22 o 279.046 5.9481  9480.72    402.731  9690.34    576.683  9281.16    562.671  281.603 8.4399  275.600 8.4142  6.003571       11.91762 
1 1 1 -9  -22 23 f 337.685 9.9789  13974.92   817.635  14138.70   1164.05  13815.43   1148.73  337.922 14.197  334.048 14.172  3.873993       20.06003 
1 1 1 -9  -22 24 o 38.779  5.8475  187.143    53.312   76.538     85.065   258.686    68.414   27.451  9.9340  45.651  6.3482  -18.20018      11.78920 
1 1 1 -9  -22 25 f 181.429 6.3363  4009.56    278.935  3771.89    401.512  4231.27    387.793  175.285 9.4756  186.064 8.5896  -10.77907      12.78938 
1 1 1 -9  -22 26 o 222.655 7.2292  6045.92    390.560  5811.27    560.038  6268.10    544.943  217.641 10.605  226.189 9.9292  -8.548004      14.52779 
1 1 1 -9  -22 27 o 79.739  3.3705  772.262    65.212   681.012    98.803   842.695    86.804   74.609  5.4964  83.154  4.3171  -8.544952      6.989124 
1 1 1 -9  -22 28 o 92.227  3.4179  1033.14    76.486   1107.66    115.359  974.677    102.173  95.302  5.0062  89.408  4.7265  5.893524       6.884914 
1 1 1 -9  -22 29 o 57.112  3.4741  397.652    47.914   402.865    75.087   394.071    62.230   57.281  5.4689  56.752  4.5576  0.5290146      7.119019 
1 1 1 -9  -22 30 o 154.352 4.1278  2895.35    154.593  2791.04    227.140  2985.36    211.006  151.385 6.1837  156.624 5.5523  -5.239441      8.310579 
1 1 1 -9  -22 31 o 111.665 3.6595  1514.83    99.153   1649.31    148.939  1407.78    132.878  116.432 5.2720  107.579 5.0905  8.852264       7.328497 
1 1 1 -9  -22 32 o 173.578 4.4032  3662.64    185.450  3643.36    272.155  3679.35    253.382  172.917 6.4865  173.823 6.0076  -0.9056854     8.841211 
1 1 1 -9  -22 33 o 292.090 9.0122  10440.03   638.718  9957.88    925.199  10879.05   882.856  283.784 13.436  297.093 12.247  -13.30954      18.18046 
1 1 1 -9  -22 34 o 290.538 8.7559  10327.11   617.258  10936.70   896.394  9777.41    851.226  297.740 12.408  281.497 12.463  16.24277       17.58611 
1 1 1 -9  -22 35 o 65.457  5.5812  525.425    87.796   683.857    137.078  415.227    114.323  74.436  7.7010  57.678  8.4166  16.75771       11.40810 
1 1 1 -9  -22 36 o 72.236  5.3714  638.744    93.473   659.812    151.606  625.825    118.723  72.902  8.7451  71.281  6.9529  1.621330       11.17229 
1 1 1 -9  -22 37 o 78.597  3.6743  750.764    70.071   660.738    110.599  811.131    90.567   73.347  6.2749  81.526  4.5971  -8.179832      7.778699 
1 1 1 -9  -22 38 o 57.552  3.8804  404.525    53.871   518.518    88.192   336.672    68.041   64.986  5.6492  52.290  5.4425  12.69633       7.844391 
1 1 1 -9  -22 39 o 154.852 4.2764  2917.60    160.681  2868.45    240.396  2957.29    216.027  153.259 6.4646  155.725 5.7172  -2.466690      8.630007 
1 1 1 -9  -22 40 o 97.448  3.6941  1154.92    87.347   1378.16    136.387  999.695    113.730  106.313 5.2872  90.406  5.2066  15.90762       7.420435 
1 1 1 -9  -22 41 o 46.727  4.2684  268.083    47.859   228.326    79.770   290.442    59.822   42.421  8.0442  48.525  5.1600  -6.104019      9.556904 
1 1 1 -9  -22 42 f 20.672  6.5536  51.504     36.888   34.960     63.309   60.007     45.389   21.486  8.3917  22.454  7.2857  -0.9686279     11.11315 
1 1 1 -9  -22 43 o 78.185  3.7371  744.452    70.896   806.792    115.372  706.631    89.864   80.952  5.9146  75.914  4.9049  5.038002       7.683799 
1 1 1 -9  -22 44 o 145.703 4.1640  2589.45    147.212  2802.05    224.564  2429.24    194.943  151.095 6.1253  140.792 5.7065  10.30301       8.371543 
1 1 1 -9  -22 45 o 85.790  3.7896  897.404    78.885   805.191    126.828  955.587    100.743  80.612  6.5405  88.283  4.7201  -7.671036      8.065833 
1 1 1 -9  -22 46 o 25.265  6.1194  81.664     37.116   -24.0953   67.957   126.621    44.308   17.647  7.8592  31.581  6.0015  -13.93422      9.888667 
1 1 1 -9  -22 47 o 50.603  6.0577  319.789    72.900   271.850    120.087  347.765    91.738   45.317  11.026  52.448  7.4154  -7.130505      13.28776 
1 1 1 -9  -22 48 o 108.990 5.6225  1465.78    148.182  1579.68    224.037  1377.20    197.571  112.071 8.2978  104.812 7.8251  7.258179       11.40548 
1 1 1 -9  -22 49 f 107.235 3.9481  1405.67    102.727  1408.10    162.917  1404.06    132.354  106.523 6.3317  106.904 5.1024  -0.3815308     8.131715 
1 1 1 -9  -22 50 o 91.002  4.0396  1012.99    89.197   1034.74    148.736  1000.78    111.465  91.066  6.7799  90.089  5.1204  0.9767151      8.496162 
1 1 1 -9  -22 51 o 121.788 4.1906  1816.20    123.836  1902.53    201.542  1763.84    156.960  123.576 6.7470  119.654 5.4063  3.921585       8.645821 
1 1 1 -9  -22 52 o 23.316  7.1151  68.266     43.930   -70.2508   91.286   110.012    50.115   18.474  8.5613  29.135  7.1438  -10.66055      11.15038 
1 1 1 -9  -22 53 o 35.277  7.7790  162.165    64.796   52.347     133.968  195.701    74.032   28.916  11.886  38.731  8.1364  -9.814732      14.40415 
1 1 1 -9  -22 54 o 80.180  5.9354  802.060    114.654  595.405    206.090  894.689    137.977  65.384  13.440  84.354  6.7989  -18.97021      15.06140 
1 1 1 -9  -22 55 o 36.322  6.0357  168.270    51.328   50.816     104.544  205.575    58.917   26.260  10.609  40.169  6.2479  -13.90890      12.31245 
1 1 1 -9  -22 56 o 28.759  6.8369  107.976    47.008   -3.1236    101.394  138.393    53.054   22.666  9.8628  32.596  6.9218  -9.930382      12.04933 
1 1 1 -9  -22 57 o 18.362  7.1066  29.193     45.086   55.288     107.098  23.572     49.705   26.560  10.736  18.374  7.3533  8.186468       13.01247 
1 1 1 -9  -22 58 o 21.440  7.2410  55.469     44.723   25.089     102.656  62.585     49.685   24.218  10.213  22.659  7.6323  1.558853       12.74993 
1 1 1 -9  -22 59 o 53.993  5.9450  369.784    76.595   438.014    163.034  350.458    86.767   55.204  12.466  52.099  7.0445  3.105854       14.31889 
1 1 1 -9  -22 60 o 47.647  13.679  338.974    166.451  338.974    166.451  0.0000     0.0000   47.647  13.679  ?       ?       0.000000       13.67917 
1 1 1 -9  -22 61 o 32.580  13.026  111.897    155.792  111.897    155.792  0.0000     0.0000   32.580  13.026  ?       ?       0.000000       13.02551 
1 1 1 -9  -22 62 o 29.261  10.733  102.697    99.773   0.0000     0.0000   102.697    99.773   ?       ?       29.261  10.733  0.000000       10.73263 
1 1 1 -9  -22 63 o 36.585  10.426  185.775    97.044   264.361    182.505  154.796    114.586  42.317  14.620  33.926  11.590  8.390907       18.65629 
1 1 1 -9  -22 64 o 34.561  7.9974  160.114    65.736   101.431    161.578  171.753    71.960   32.201  13.124  35.663  8.4462  -3.461685      15.60667 
1 1 1 -9  -22 65 o 41.342  7.1648  224.536    69.268   393.262    162.496  187.068    76.574   51.306  13.029  37.063  8.6692  14.24290       15.64934 
1 1 1 -9  -21 1  o 101.320 5.0114  1248.51    123.203  1315.43    166.656  1167.87    182.953  103.691 6.6591  97.516  7.7973  6.174347       10.25388 
1 1 1 -9  -21 2  o 136.384 5.5289  2263.40    182.963  2499.17    251.292  1997.42    266.911  142.973 7.2676  127.552 8.6757  15.42106       11.31748 
1 1 1 -9  -21 3  o 39.873  5.1036  196.520    48.244   258.741    65.148   120.973    71.787   45.709  6.0205  31.128  8.9970  14.58105       10.82558 
1 1 1 -9  -21 4  o 218.128 5.0426  5787.02    266.889  6132.37    379.994  5450.81    374.933  224.283 6.9826  211.404 7.3093  12.87946       10.10855 
1 1 1 -9  -21 5  o 313.336 6.6413  11963.94   504.928  12797.36   716.320  11140.88   711.853  323.433 9.1276  301.606 9.7272  21.82718       13.33909 
1 1 1 -9  -21 6  o 162.215 4.2212  3198.08    166.147  3476.17    237.703  2932.42    232.325  168.988 5.7971  155.175 6.1703  13.81305       8.466399 
1 1 1 -9  -21 7  o 397.881 8.0550  19328.41   777.645  21291.71   1102.00  17381.01   1097.53  416.505 10.904  375.844 12.035  40.66141       16.24016 
1 1 1 -9  -21 8  o 145.983 4.0023  2589.44    141.769  2855.79    203.145  2336.56    197.939  153.206 5.4647  138.549 5.8880  14.65756       8.033130 
1 1 1 -9  -21 9  o 326.087 9.7218  13013.73   769.207  0.0000     0.0000   13013.73   769.207  ?       ?       326.087 9.7218  0.000000       9.721763 
1 1 1 -9  -21 10 o 101.566 4.8721  1254.17    120.068  0.0000     0.0000   1254.17    120.068  ?       ?       101.566 4.8721  0.000000       4.872123 
1 1 1 -9  -21 11 o 194.917 6.6179  4627.02    312.993  0.0000     0.0000   4627.02    312.993  ?       ?       194.917 6.6179  0.000000       6.617906 
1 1 1 -9  -21 12 o 132.824 3.8598  2143.10    124.397  2298.73    179.058  1997.92    172.948  137.481 5.3677  128.158 5.5617  9.322464       7.729447 
1 1 1 -9  -21 13 o 142.643 3.9433  2471.72    136.482  2432.90    194.302  2509.54    191.753  141.419 5.6624  143.641 5.5017  -2.221176      7.895095 
1 1 1 -9  -21 14 o 206.020 4.8434  5159.43    242.115  5252.45    343.659  5067.75    341.159  207.670 6.8201  203.977 6.8930  3.692398       9.696792 
1 1 1 -9  -21 15 f 136.561 3.8921  2265.34    128.967  2400.06    183.559  2134.00    181.238  140.482 5.3851  132.452 5.6393  8.030655       7.797496 
1 1 1 -9  -21 16 o 208.367 4.8957  5277.90    247.521  5220.37    351.199  5334.67    348.908  207.014 6.9918  209.283 6.8709  -2.268600      9.802776 
1 1 1 -9  -21 17 o 148.485 3.9307  2678.34    141.618  2604.02    205.976  2744.97    195.029  146.299 5.8024  150.238 5.3500  -3.939072      7.892484 
1 1 1 -9  -21 18 o 136.985 3.8043  2279.37    126.447  2094.02    184.461  2443.67    173.671  131.190 5.7948  141.769 5.0487  -10.57928      7.685690 
1 1 1 -9  -21 19 o 199.982 4.7428  4861.51    230.141  4251.34    331.684  5427.99    319.589  186.757 7.3195  211.161 6.2376  -24.40314      9.616784 
1 1 1 -9  -21 20 o 101.881 3.4252  1260.61    84.672   1156.97    125.314  1347.67    114.858  97.386  5.3233  105.300 4.4954  -7.913773      6.967534 
1 1 1 -9  -21 21 o 337.935 7.0032  13917.86   574.238  13826.23   819.042  14006.46   805.321  336.017 10.046  338.273 9.8116  -2.255249      14.04219 
1 1 1 -9  -21 22 o 146.915 3.9199  2622.41    139.736  2603.94    203.848  2638.78    191.923  146.274 5.7435  147.278 5.3706  -1.004333      7.863278 
1 1 1 -9  -21 23 o 394.850 7.9911  19032.47   765.599  19428.01   1090.22  18647.63   1075.38  397.704 11.298  389.602 11.376  8.102539       16.03254 
1 1 1 -9  -21 24 o 151.918 5.7280  2809.06    211.142  2710.25    305.033  2899.95    292.559  148.697 8.4895  153.939 7.8587  -5.242081      11.56852 
1 1 1 -9  -21 25 o 325.456 9.7174  12971.09   767.377  12440.11   1092.67  13487.85   1077.95  317.055 14.203  330.475 13.443  -13.42041      19.55630 
1 1 1 -9  -21 26 f 219.928 7.1523  5897.60    381.674  5760.56    547.168  6027.46    532.660  216.754 10.404  221.830 9.8962  -5.075745      14.35868 
1 1 1 -9  -21 27 o 41.176  6.0296  210.761    58.457   139.143    90.440   262.154    76.612   33.607  10.199  45.839  7.1191  -12.23152      12.43762 
1 1 1 -9  -21 28 o 134.338 3.8640  2192.62    125.951  1949.98    186.128  2397.57    171.066  126.554 6.0614  140.407 5.0212  -13.85301      7.871027 
1 1 1 -9  -21 29 o 89.228  3.4271  967.000    74.197   971.565    112.711  963.509    98.566   89.219  5.2294  88.909  4.5846  0.3097992      6.954476 
1 1 1 -9  -21 30 f 96.850  3.5215  1139.36    82.755   997.848    125.174  1249.24    110.299  90.366  5.7386  101.375 4.4841  -11.00906      7.282756 
1 1 1 -9  -21 31 o 93.060  3.6273  1052.01    81.904   891.397    123.653  1177.56    109.325  85.357  6.0087  98.419  4.5780  -13.06203      7.553993 
1 1 1 -9  -21 32 o 134.579 3.9216  2200.67    128.058  2282.69    190.806  2133.44    172.741  136.944 5.7423  132.418 5.3763  4.525787       7.866296 
1 1 1 -9  -21 33 o 132.696 3.9397  2139.64    126.848  2087.79    189.358  2181.85    170.846  130.945 5.9598  133.916 5.2579  -2.970886      7.947577 
1 1 1 -9  -21 34 o 232.452 7.5710  6594.94    427.023  6431.08    626.797  6736.86    583.345  228.707 11.295  234.353 10.259  -5.645920      15.25829 
1 1 1 -9  -21 35 o 149.935 5.8575  2737.60    213.098  2726.96    325.208  2745.61    282.100  148.993 9.0384  149.741 7.7911  -0.7477875     11.93289 
1 1 1 -9  -21 36 o 187.132 6.6300  4269.98    301.040  4095.79    451.170  4409.76    404.167  182.362 10.238  189.810 8.7756  -7.447922      13.48412 
1 1 1 -9  -21 37 o 90.110  3.6762  986.746    80.379   998.839    124.646  978.137    105.165  90.376  5.7135  89.530  4.8593  0.8462219      7.500456 
1 1 1 -9  -21 38 o 96.813  3.7055  1139.22    87.046   1135.74    135.367  1141.67    113.662  96.362  5.8167  96.855  4.8365  -0.4924164     7.564791 
1 1 1 -9  -21 39 o 101.750 3.7606  1258.69    92.844   1211.75    144.032  1292.06    121.441  99.495  5.9941  103.017 4.8584  -3.521790      7.715758 
1 1 1 -9  -21 40 o 192.233 4.7557  4500.45    221.822  4591.89    328.234  4423.58    300.946  193.747 6.9821  190.264 6.5188  3.483337       9.552178 
1 1 1 -9  -21 41 o 73.710  3.7625  662.703    67.068   691.857    107.497  644.121    85.820   75.025  5.9540  72.530  4.9054  2.494843       7.714471 
1 1 1 -9  -21 42 o 59.807  3.8707  437.219    55.869   490.517    92.432   406.538    70.130   63.030  6.1211  57.499  5.0788  5.530361       7.953732 
1 1 1 -9  -21 43 o 99.683  3.8225  1210.13    92.455   1105.39    144.809  1282.21    120.125  94.753  6.3351  102.493 4.8303  -7.740288      7.966506 
1 1 1 -9  -21 44 o 67.612  3.8384  558.809    62.710   419.066    101.656  644.659    79.678   57.852  7.4123  72.531  4.5504  -14.67893      8.697593 
1 1 1 -9  -21 45 o 26.261  6.0029  88.008     37.417   33.123     65.571   114.508    45.563   21.513  8.4982  29.952  6.4592  -8.439478      10.67434 
1 1 1 -9  -21 46 o 12.139  5.3695  -9.9621    31.192   11.124     57.579   -18.7207   37.110   18.595  7.7315  12.680  5.7143  5.915420       9.614073 
1 1 1 -9  -21 47 o 53.224  5.9817  352.926    75.911   247.038    124.000  416.397    96.003   43.183  11.591  57.604  7.0134  -14.42079      13.54802 
1 1 1 -9  -21 48 o 99.782  5.5757  1228.34    134.454  1322.61    206.570  1159.05    177.105  102.508 8.3784  96.214  7.6494  6.294098       11.34509 
1 1 1 -9  -21 49 o 116.751 4.0307  1666.41    114.184  1648.72    180.515  1678.21    147.426  115.264 6.4807  116.868 5.1989  -1.604652      8.308321 
1 1 1 -9  -21 50 o 136.274 4.2821  2273.37    141.589  2380.15    223.303  2201.58    183.103  138.568 6.6415  133.664 5.6457  4.903961       8.716863 
1 1 1 -9  -21 51 o 171.913 4.7045  3626.48    196.239  3809.10    302.128  3493.22    258.093  174.919 7.1185  167.956 6.3331  6.963058       9.527903 
1 1 1 -9  -21 52 f 58.476  4.5320  421.947    63.801   375.091    118.636  441.012    75.676   53.619  9.4647  59.614  5.2866  -5.994225      10.84105 
1 1 1 -9  -21 53 o 40.240  7.2531  208.158    68.213   126.064    137.595  234.909    78.544   33.677  12.557  42.617  7.8862  -8.939774      14.82833 
1 1 1 -9  -21 54 o 21.338  7.9341  45.791     54.853   1.7848     121.422  57.074     61.484   25.098  10.857  23.117  8.4334  1.981665       13.74746 
1 1 1 -9  -21 55 o 66.420  4.4780  545.131    71.747   597.462    134.159  524.169    84.909   68.120  8.2875  64.841  5.4473  3.278091       9.917469 
1 1 1 -9  -21 56 o 47.723  5.1390  284.954    58.569   288.329    118.027  283.852    67.460   45.925  10.777  47.373  6.0035  -1.447884      12.33641 
1 1 1 -9  -21 57 o 46.614  5.2279  272.742    58.111   263.865    119.436  275.495    66.514   43.595  11.224  46.602  6.0232  -3.006729      12.73800 
1 1 1 -9  -21 58 o 36.653  6.2368  172.870    53.480   -35.9864   110.945  236.092    61.040   21.937  9.8839  43.046  6.0079  -21.10898      11.56663 
1 1 1 -9  -21 59 o 36.929  13.203  183.858    149.756  183.858    149.756  0.0000     0.0000   36.929  13.203  ?       ?       0.000000       13.20314 
1 1 1 -9  -21 60 o 26.024  11.262  15.078     130.777  15.078     130.777  0.0000     0.0000   26.024  11.262  ?       ?       0.000000       11.26240 
1 1 1 -9  -21 61 f 60.082  5.6412  455.278    81.276   494.082    170.996  443.953    92.379   58.739  12.388  58.930  6.5725  -0.1911469     14.02319 
1 1 1 -9  -21 62 o 32.600  10.284  143.455    90.920   109.431    188.583  153.759    103.778  34.103  14.070  33.712  11.020  0.3914680      17.87225 
1 1 1 -9  -21 63 o 39.633  10.353  218.161    100.648  418.854    186.554  135.760    119.537  52.703  14.248  32.636  11.781  20.06718       18.48766 
1 1 1 -9  -21 64 o 25.703  8.3095  84.937     59.081   11.518     150.505  98.312     64.238   27.298  11.944  27.392  8.6445  -0.9462738E-01 14.74391 
1 1 1 -9  -21 65 o 24.598  8.4322  75.221     60.656   -22.4374   151.924  93.741     66.158   25.860  11.617  26.857  8.8001  -0.9962158     14.57360 
1 1 1 -9  -20 1  o 41.326  4.9675  210.658    48.813   222.522    65.900   196.236    72.657   42.231  6.6512  39.412  7.8732  2.819096       10.30655 
1 1 1 -9  -20 2  o 186.357 6.4794  4230.53    292.986  4521.31    406.287  3915.49    422.902  192.341 8.7056  178.557 9.7985  13.78406       13.10719 
1 1 1 -9  -20 3  o 148.870 5.6754  2697.22    205.005  2691.94    282.910  2703.06    297.480  148.300 7.8905  148.540 8.2868  -0.2398224     11.44251 
1 1 1 -9  -20 4  o 359.983 10.609  15893.22   926.622  16206.57   1301.53  15571.13   1319.54  361.656 14.832  354.231 15.352  7.424927       21.34651 
1 1 1 -9  -20 5  o 149.759 5.6735  2729.22    206.161  2735.81    285.101  2722.00    298.471  149.524 7.8861  149.079 8.2839  0.4449463      11.43738 
1 1 1 -9  -20 6  o 242.656 7.7021  7182.15    453.483  7553.46    633.948  6793.05    648.959  248.272 10.524  235.247 11.369  13.02441       15.49202 
1 1 1 -9  -20 7  o 177.728 4.4056  3838.65    189.989  4237.28    271.220  3454.58    266.220  186.595 5.9904  168.434 6.5140  18.16054       8.849702 
1 1 1 -9  -20 8  o 150.669 4.6008  2758.96    168.199  2907.45    288.136  2682.20    207.158  154.427 7.6897  148.485 5.7498  5.942307       9.601670 
1 1 1 -9  -20 9  o 184.533 6.3676  4144.61    285.112  0.0000     0.0000   4144.61    285.112  ?       ?       184.533 6.3676  0.000000       6.367618 
1 1 1 -9  -20 10 o 117.183 5.0672  1669.21    144.077  0.0000     0.0000   1669.21    144.077  ?       ?       117.183 5.0672  0.000000       5.067209 
1 1 1 -9  -20 11 o 30.268  4.2155  113.438    30.120   157.998    46.572   81.399     39.490   35.623  5.5704  25.375  6.4114  10.24845       8.493249 
1 1 1 -9  -20 12 o 140.362 3.9030  2392.80    132.927  2356.10    188.984  2428.74    187.005  139.201 5.5953  141.338 5.4529  -2.137238      7.812894 
1 1 1 -9  -20 13 o 147.291 3.9871  2634.96    142.496  2655.37    202.682  2615.01    200.376  147.777 5.6526  146.651 5.6312  1.125977       7.978828 
1 1 1 -9  -20 14 o 356.279 7.3351  15457.70   634.099  15711.86   898.035  15205.00   895.474  358.537 10.323  352.670 10.465  5.866699       14.69917 
1 1 1 -9  -20 15 o 361.579 8.5662  15942.79   751.541  16174.27   923.386  15488.53   1293.51  363.738 10.462  354.510 15.038  9.227386       18.31910 
1 1 1 -9  -20 16 o 146.259 3.8716  2598.01    137.398  2696.80    199.895  2509.55    189.168  148.932 5.5316  143.674 5.4263  5.257599       7.748757 
1 1 1 -9  -20 17 o 140.308 3.8351  2390.89    130.564  2176.58    190.232  2581.76    179.525  133.778 5.8605  145.743 5.0766  -11.96552      7.753534 
1 1 1 -9  -20 18 o 36.219  3.7648  161.034    32.602   150.208    50.797   168.618    42.514   34.605  6.2810  36.932  4.8625  -2.326630      7.943253 
1 1 1 -9  -20 19 o 123.226 3.6093  1844.04    107.917  1828.24    158.469  1857.71    147.370  122.625 5.3260  123.629 4.9127  -1.004120      7.245775 
1 1 1 -9  -20 20 o 188.194 4.5132  4303.80    206.088  4071.67    297.584  4517.74    285.686  182.870 6.7066  192.685 6.1105  -9.815247      9.072857 
1 1 1 -9  -20 21 o 153.771 3.9928  2872.50    148.977  2949.08    216.930  2804.15    204.952  155.698 5.7421  151.837 5.5630  3.861313       7.994952 
1 1 1 -9  -20 22 o 162.603 4.1434  3212.46    163.475  3103.51    237.593  3310.41    225.277  159.680 6.1322  164.959 5.6283  -5.279007      8.323558 
1 1 1 -9  -20 23 o 236.822 5.2291  6821.13    300.480  7210.43    432.273  6457.15    417.974  243.197 7.3255  230.119 7.4857  13.07855       10.47371 
1 1 1 -9  -20 24 o 157.347 5.7941  3013.13    221.212  3153.07    318.922  2883.38    307.095  160.498 8.2169  153.452 8.2784  7.046478       11.66406 
1 1 1 -9  -20 25 o 356.561 10.451  15586.25   904.162  15784.08   1285.57  15392.61   1271.90  356.933 14.844  352.465 14.872  4.468018       21.01230 
1 1 1 -9  -20 26 o 149.005 5.6682  2702.00    204.930  2830.54    295.969  2583.63    284.030  152.059 8.0504  145.249 8.0912  6.809906       11.41391 
1 1 1 -9  -20 27 o 192.357 6.5695  4507.57    306.624  4246.25    439.985  4754.32    427.547  185.981 9.7844  197.206 8.9351  -11.22510      13.25029 
1 1 1 -9  -20 28 o 41.391  3.7996  209.878    37.734   194.778    61.119   219.180    47.967   39.457  6.6182  42.191  4.7693  -2.733982      8.157597 
1 1 1 -9  -20 29 o 136.130 3.8550  2251.41    127.334  2337.35    188.548  2179.35    172.655  138.596 5.6067  133.850 5.3162  4.746231       7.726365 
1 1 1 -9  -20 30 o 301.759 6.3977  11090.11   468.438  11227.79   672.046  10960.00   653.294  303.018 9.1404  299.421 8.9921  3.597443       12.82208 
1 1 1 -9  -20 31 o 203.874 4.8505  5053.97    239.946  5049.76    348.682  5057.76    330.701  203.535 7.0604  203.745 6.6894  -0.2104034     9.726051 
1 1 1 -9  -20 32 o 90.663  3.6618  998.511    80.554   846.597    122.403  1114.57    106.987  83.164  6.1086  95.751  4.6050  -12.58674      7.649905 
1 1 1 -9  -20 33 o 10.319  4.8596  -34.9274   31.414   36.514     52.218   -75.4501   39.327   20.409  7.7100  9.9947  4.8862  10.41445       9.127891 
1 1 1 -9  -20 34 o 158.734 6.0335  3068.11    232.380  2948.15    351.757  3161.01    309.546  154.916 9.4025  160.904 7.9286  -5.987930      12.29913 
1 1 1 -9  -20 35 o 136.197 5.5654  2257.78    183.919  2523.33    284.207  2066.46    241.245  143.483 8.1974  129.884 7.6891  13.59880       11.23921 
1 1 1 -9  -20 36 o 82.823  5.1389  837.823    102.762  994.995    166.242  740.626    130.731  89.945  7.6912  77.610  7.0182  12.33574       10.41198 
1 1 1 -9  -20 37 o 188.387 4.7031  4316.85    214.981  4220.24    316.776  4399.33    292.706  185.970 7.0202  189.974 6.3500  -4.004837      9.465979 
1 1 1 -9  -20 38 o 199.305 4.8277  4833.56    233.467  4976.72    343.664  4710.86    318.154  201.901 7.0151  196.492 6.6731  5.408096       9.682019 
1 1 1 -9  -20 39 o 74.565  3.7902  677.653    68.349   613.882    108.585  719.500    87.961   70.643  6.4045  76.742  4.7471  -6.098633      7.971988 
1 1 1 -9  -20 40 o 149.423 4.2010  2716.48    152.314  2755.74    229.289  2685.46    203.770  150.235 6.2900  148.396 5.6592  1.838318       8.461089 
1 1 1 -9  -20 41 o 22.601  6.5399  63.756     37.911   114.751    65.877   38.504     46.357   30.170  8.5875  19.886  7.3125  10.28315       11.27903 
1 1 1 -9  -20 42 o 137.764 4.0959  2310.90    136.913  2386.47    208.385  2253.51    181.613  139.682 6.1484  135.843 5.5099  3.838211       8.256025 
1 1 1 -9  -20 43 o 116.693 3.8754  1658.28    109.731  1882.86    170.135  1498.32    143.588  124.082 5.6509  110.736 5.3440  13.34692       7.777599 
1 1 1 -9  -20 44 o 103.242 3.8466  1298.65    96.362   1249.50    151.081  1332.35    125.114  100.743 6.2109  104.430 4.9376  -3.687340      7.934413 
1 1 1 -9  -20 45 o 91.763  3.8294  1026.45    85.264   1026.14    135.514  1026.66    109.699  91.205  6.1597  91.494  4.9599  -0.2888947     7.908361 
1 1 1 -9  -20 46 o 24.580  6.4001  77.135     38.546   100.575    68.321   66.190     46.687   28.453  8.9054  23.284  7.3719  5.169250       11.56079 
1 1 1 -9  -20 47 o 46.704  6.3064  273.469    69.638   271.137    112.853  274.904    88.496   45.439  10.453  46.353  8.1667  -0.9139137     13.26531 
1 1 1 -9  -20 48 o 58.082  5.9361  419.654    82.482   381.163    129.030  446.251    107.258  54.054  10.212  59.458  7.6091  -5.404724      12.73519 
1 1 1 -9  -20 49 o 36.166  5.5822  164.557    47.409   98.756     108.202  180.190    52.741   30.357  11.170  37.796  5.9473  -7.439775      12.65497 
1 1 1 -9  -20 50 o 89.107  4.0362  970.850    87.267   993.234    145.282  958.214    109.152  89.266  6.7576  88.173  5.1240  1.093826       8.480592 
1 1 1 -9  -20 51 o 101.280 4.1366  1255.20    101.654  1236.04    167.204  1266.43    128.034  99.499  6.9697  101.345 5.2244  -1.846809      8.710450 
1 1 1 -9  -20 52 o 38.380  5.4828  185.055    49.607   151.461    95.651   197.416    58.020   34.178  10.511  39.471  6.2676  -5.292538      12.23784 
1 1 1 -9  -20 53 o 36.930  7.7026  176.997    66.788   235.532    143.828  160.905    75.411   41.785  12.896  34.972  8.8728  6.812782       15.65314 
1 1 1 -9  -20 54 o 40.645  7.3328  212.926    69.656   215.880    142.398  211.997    79.863   40.105  12.893  40.220  8.4519  -0.1149979     15.41677 
1 1 1 -9  -20 55 o 45.952  5.2659  264.285    57.654   292.183    114.228  254.749    66.785   46.569  10.375  44.806  6.3185  1.763401       12.14738 
1 1 1 -9  -20 56 o 57.748  4.5960  413.507    63.865   462.895    121.023  394.445    75.187   59.610  8.6174  56.100  5.5982  3.510067       10.27616 
1 1 1 -9  -20 57 o 57.335  4.7313  408.742    65.233   622.078    127.374  332.894    75.949   69.586  7.6714  51.229  6.2388  18.35655       9.888044 
1 1 1 -9  -20 58 o 87.738  4.3812  949.827    93.270   913.159    164.595  967.171    113.199  83.973  8.1821  88.037  5.3243  -4.064110      9.761911 
1 1 1 -9  -20 59 o 57.243  11.866  461.491    159.395  461.491    159.395  0.0000     0.0000   57.243  11.866  ?       ?       0.000000       11.86559 
1 1 1 -9  -20 60 o 24.069  8.2733  70.434     58.410   107.704    146.370  63.375     63.702   32.021  12.682  23.668  8.5918  8.352797       15.31817 
1 1 1 -9  -20 61 o 47.399  6.4853  288.147    72.630   135.378    151.422  333.796    82.773   33.870  13.047  50.910  6.8767  -17.03961      14.74871 
1 1 1 -9  -20 62 o 42.830  9.7574  250.783    99.139   78.565     198.125  308.307    114.505  33.291  14.122  47.348  10.263  -14.05679      17.45739 
1 1 1 -9  -20 63 o 17.574  8.1172  -54.1578   81.059   -143.7673  161.367  -23.9154   93.745   22.963  10.874  20.572  9.1913  2.390785       14.23812 
1 1 1 -9  -20 64 o 32.526  8.4204  142.576    66.974   92.811     151.319  154.700    74.688   31.303  12.722  33.743  8.9685  -2.439894      15.56581 
1 1 1 -9  -20 65 o 25.130  9.0335  75.155     70.194   9.5581     222.285  82.421     73.979   31.520  14.113  26.045  9.2832  5.474482       16.89225 
1 1 1 -9  -19 1  f 174.027 6.2151  3687.84    262.441  3929.82    363.176  3423.39    379.667  179.381 8.3441  167.016 9.4070  12.36459       12.57440 
1 1 1 -9  -19 2  o 359.970 10.612  15888.38   926.864  16223.11   1301.56  15544.00   1320.21  361.930 14.821  354.001 15.370  7.928711       21.35173 
1 1 1 -9  -19 3  o 410.432 11.968  20705.96   1191.90  21743.97   1676.67  19645.56   1694.66  418.139 16.526  396.799 17.601  21.34042       24.14362 
1 1 1 -9  -19 4  o 157.772 5.8173  3028.87    222.697  3022.15    308.504  3036.18    321.797  157.170 8.1173  157.481 8.4524  -0.3102875     11.71896 
1 1 1 -9  -19 5  o 89.785  4.7992  982.649    104.173  1128.75    143.185  818.351    151.842  96.109  6.1727  81.563  7.7663  14.54581       9.920523 
1 1 1 -9  -19 6  f 338.339 10.055  13997.37   825.488  14806.29   1159.99  13167.42   1174.98  346.787 13.786  326.660 14.824  20.12775       20.24360 
1 1 1 -9  -19 7  o 134.981 5.3646  2215.10    175.701  2036.59    243.619  2408.61    253.640  129.042 7.8176  140.418 7.4713  -11.37646      10.81361 
1 1 1 -9  -19 8  o 320.235 13.634  12601.32   1059.43  0.0000     0.0000   12601.32   1059.43  ?       ?       320.235 13.634  0.000000       13.63446 
1 1 1 -9  -19 9  o 336.635 9.9589  13837.83   813.454  0.0000     0.0000   13837.83   813.454  ?       ?       336.635 9.9589  0.000000       9.958865 
1 1 1 -9  -19 10 o 128.097 3.7483  1992.47    116.502  2171.70    166.736  1821.49    162.849  133.682 5.1403  122.416 5.4825  11.26615       7.515406 
1 1 1 -9  -19 11 o 94.565  3.4067  1085.66    78.168   1135.85    112.029  1038.04    109.122  96.693  4.7750  92.304  4.8897  4.388824       6.834400 
1 1 1 -9  -19 12 o 286.667 6.1332  9991.93    426.610  9771.60    604.540  10210.49   602.102  283.158 8.7990  289.481 8.5721  -6.322510      12.28424 
1 1 1 -9  -19 13 o 179.037 4.3685  3893.12    189.777  3975.26    269.248  3812.03    267.530  180.819 6.1368  177.062 6.2271  3.756897       8.742841 
1 1 1 -9  -19 14 o 469.677 9.3509  26897.30   1065.66  26930.60   1513.05  26864.52   1501.16  468.770 13.302  468.226 13.213  0.5440063      18.74946 
1 1 1 -9  -19 15 o 172.631 4.1805  3619.20    175.112  4072.92    253.297  3203.83    242.357  183.053 5.7028  162.328 6.1532  20.72562       8.389491 
1 1 1 -9  -19 16 o 289.336 6.1105  10178.69   428.985  10240.96   612.746  10118.84   600.784  289.892 8.7113  288.175 8.5921  1.716248       12.23558 
1 1 1 -9  -19 17 o 89.269  3.2814  967.419    71.075   1029.58    105.589  915.920    96.110   91.937  4.7495  86.713  4.5842  5.224258       6.600997 
1 1 1 -9  -19 18 o 129.298 3.6902  2029.98    115.772  1880.87    169.354  2160.79    158.626  124.390 5.6111  133.356 4.9023  -8.966232      7.450941 
1 1 1 -9  -19 19 o 349.911 7.2674  14905.70   617.020  14009.01   879.009  15776.70   866.325  338.540 10.701  359.450 9.9330  -20.91019      14.60043 
1 1 1 -9  -19 20 o 336.545 7.0253  13787.98   573.680  13102.94   817.983  14451.11   804.790  327.439 10.296  344.026 9.6411  -16.58707      14.10496 
1 1 1 -9  -19 21 o 129.754 3.6793  2044.58    115.837  2337.86    170.205  1791.54    158.101  138.687 5.0579  121.391 5.3676  17.29552       7.375249 
1 1 1 -9  -19 22 o 333.428 6.9163  13538.01   559.555  13580.31   798.531  13497.20   784.322  333.306 9.8738  332.322 9.7268  0.9843750      13.86013 
1 1 1 -9  -19 23 o 90.751  3.4007  1000.11    74.883   865.882    112.048  1108.45    100.664  84.197  5.5151  95.511  4.3437  -11.31400      7.020235 
1 1 1 -9  -19 24 o 159.620 4.1215  3095.65    159.628  3043.43    232.855  3141.96    219.255  158.130 6.0688  160.706 5.6228  -2.575897      8.273252 
1 1 1 -9  -19 25 o 416.349 12.046  21309.38   1216.90  20805.27   1727.05  21806.44   1714.91  408.484 17.425  418.541 16.887  -10.05673      24.26470 
1 1 1 -9  -19 26 o 361.514 10.589  16022.87   928.844  16086.35   1319.80  15960.57   1307.45  360.294 15.097  358.925 15.013  1.369507       21.29077 
1 1 1 -9  -19 27 o 172.332 6.1204  3615.78    255.922  3711.63    367.731  3525.75    356.393  174.287 8.6956  169.651 8.6870  4.636063       12.29134 
1 1 1 -9  -19 28 o 43.183  5.8802  231.113    60.010   257.117    93.727   213.048    78.122   45.099  8.8811  41.071  8.1270  4.028397       12.03838 
1 1 1 -9  -19 29 o 94.785  3.4611  1091.19    79.601   1220.52    120.275  990.381    106.183  100.188 4.9476  90.121  4.8740  10.06636       6.945113 
1 1 1 -9  -19 30 o 228.110 5.1691  6328.43    286.105  6534.29    413.794  6139.88    396.018  231.497 7.3667  224.416 7.2727  7.081253       10.35188 
1 1 1 -9  -19 31 o 52.421  3.6763  335.441    46.466   322.169    72.906   344.520    60.299   51.100  5.9938  53.024  4.7366  -1.924213      7.639478 
1 1 1 -9  -19 32 o 143.080 4.0371  2487.45    140.156  2394.76    208.204  2564.26    189.531  140.250 6.1182  145.186 5.3801  -4.936249      8.147263 
1 1 1 -9  -19 33 o 112.106 3.7498  1526.77    102.000  1604.26    154.750  1467.25    135.633  114.824 5.5544  109.837 5.0893  4.986877       7.533364 
1 1 1 -9  -19 34 o 163.696 6.1771  3263.09    245.351  3040.70    370.945  3436.04    327.129  157.286 9.7681  167.762 8.0364  -10.47595      12.64909 
1 1 1 -9  -19 35 o 208.365 7.1054  5294.25    359.232  5021.39    533.897  5519.96    485.594  201.937 10.937  212.350 9.4245  -10.41356      14.43744 
1 1 1 -9  -19 36 o 148.391 5.9824  2681.66    215.403  2426.45    329.881  2871.35    284.405  140.387 9.7446  153.366 7.6426  -12.97937      12.38415 
1 1 1 -9  -19 37 o 124.830 3.9226  1893.77    118.812  1876.63    180.084  1906.99    158.105  124.120 5.9795  125.182 5.2052  -1.061356      7.927772 
1 1 1 -9  -19 38 o 197.486 4.8082  4745.03    230.398  4774.75    339.161  4719.56    313.961  197.778 7.0675  196.712 6.5778  1.066086       9.654872 
1 1 1 -9  -19 39 o 271.823 5.9840  9007.78    394.679  9109.14    572.723  8916.11    544.654  272.625 8.6579  269.826 8.3190  2.799469       12.00692 
1 1 1 -9  -19 40 o 131.632 4.0250  2107.40    128.557  2094.01    195.700  2117.55    170.507  130.995 6.1571  131.825 5.3306  -0.8305511     8.144022 
1 1 1 -9  -19 41 o 183.369 4.6547  4095.18    207.101  4139.52    307.854  4058.52    279.907  183.933 6.8980  182.246 6.3298  1.686218       9.362088 
1 1 1 -9  -19 42 o 202.333 4.9579  4992.17    243.405  5038.23    359.764  4953.29    330.542  202.656 7.3163  201.099 6.7741  1.556885       9.970836 
1 1 1 -9  -19 43 o 72.667  3.8388  644.693    67.446   840.371    109.206  524.031    85.755   82.752  5.4697  65.262  5.4658  17.48904       7.732557 
1 1 1 -9  -19 44 o 85.359  3.8081  887.534    78.871   936.558    126.537  856.386    100.861  87.222  6.0158  83.581  4.9963  3.641441       7.820016 
1 1 1 -9  -19 45 o 113.186 3.9370  1561.90    108.125  1572.05    168.532  1554.79    140.960  112.989 6.1706  112.732 5.1533  0.2574692      8.039460 
1 1 1 -9  -19 46 o 85.437  3.8348  890.219    79.497   965.545    129.233  844.364    100.832  88.436  6.0591  82.903  5.0364  5.532623       7.878962 
1 1 1 -9  -19 47 o 113.879 5.6687  1593.21    156.637  1548.38    235.283  1628.89    209.916  110.976 8.8102  114.343 7.6095  -3.367332      11.64151 
1 1 1 -9  -19 48 o 117.036 5.7448  1685.14    163.140  1763.93    246.791  1623.99    217.420  118.423 8.6486  113.936 7.9137  4.487206       11.72281 
1 1 1 -9  -19 49 o 76.362  5.6108  721.196    103.232  736.551    161.075  710.492    134.482  76.110  8.8896  75.243  7.4645  0.8664780      11.60797 
1 1 1 -9  -19 50 o 63.341  4.2836  493.134    65.448   565.475    117.279  460.416    78.872   67.060  7.3268  60.960  5.3878  6.100567       9.094497 
1 1 1 -9  -19 51 o 80.239  4.5958  791.752    89.105   813.030    197.363  786.304    99.862   79.141  10.540  79.815  5.1845  -0.6745071     11.74599 
1 1 1 -9  -19 52 o 21.442  7.0645  55.038     42.614   -66.4004   85.373   95.335     49.179   17.884  8.2848  27.186  7.3010  -9.301920      11.04276 
1 1 1 -9  -19 53 o 24.878  8.4662  73.303     61.143   99.688     133.114  66.248     68.833   31.758  12.233  24.692  8.9361  7.065660       15.14958 
1 1 1 -9  -19 54 o 23.083  8.0937  60.756     56.035   -14.6770   124.879  79.773     62.702   24.666  10.834  25.636  8.5742  -0.9705105     13.81608 
1 1 1 -9  -19 55 o 36.214  5.9977  166.996    50.857   328.348    101.796  113.327    58.709   50.136  8.6823  29.431  8.0079  20.70523       11.81140 
1 1 1 -9  -19 56 o 22.476  7.7590  59.217     51.401   108.493    98.375   40.712     60.285   30.085  10.707  21.313  8.2263  8.771935       13.50226 
1 1 1 -9  -19 57 o 44.200  5.5741  246.490    58.451   223.339    115.369  254.485    67.796   40.196  11.338  44.643  6.4454  -4.447453      13.04165 
1 1 1 -9  -19 58 o 100.548 7.6833  1296.11    186.030  1296.11    186.030  0.0000     0.0000   100.548 7.6833  ?       ?       0.000000       7.683294 
1 1 1 -9  -19 59 o 49.105  12.727  347.910    152.888  347.910    152.888  0.0000     0.0000   49.105  12.727  ?       ?       0.000000       12.72706 
1 1 1 -9  -19 60 o 77.609  4.9362  750.320    92.472   653.141    176.147  787.290    108.647  69.065  10.871  79.169  5.6939  -10.10395      12.27150 
1 1 1 -9  -19 61 o 20.984  8.1523  39.521     59.504   -50.7108   127.282  64.757     67.313   22.907  10.426  24.085  8.8184  -1.178738      13.65546 
1 1 1 -9  -19 62 o 79.792  7.1794  814.992    137.511  940.062    240.191  754.011    167.718  81.737  12.509  75.379  9.3722  6.357742       15.63028 
1 1 1 -9  -19 63 o 33.397  10.513  151.031    95.058   260.733    195.794  117.199    108.732  42.395  15.103  30.889  11.223  11.50608       18.81665 
1 1 1 -9  -19 64 o 30.018  8.4601  120.755    64.266   109.094    142.794  123.717    71.966   31.812  12.549  30.367  9.0713  1.445196       15.48443 
1 1 1 -9  -19 65 o 40.063  11.347  229.808    115.320  0.0000     0.0000   229.808    115.320  ?       ?       40.063  11.347  0.000000       11.34738 
1 1 1 -9  -18 1  o 366.309 7.5462  16362.89   670.717  17576.53   951.331  15163.40   945.767  378.796 10.351  351.585 11.086  27.21097       15.16712 
1 1 1 -9  -18 2  o 87.290  3.4024  925.329    72.064   1017.02    104.780  843.030    99.271   91.347  4.7437  83.126  4.9441  8.221527       6.851763 
1 1 1 -9  -18 3  o 80.608  3.9714  789.287    77.675   803.250    95.681   762.298    133.025  81.145  4.8823  78.802  7.0310  2.343323       8.559902 
1 1 1 -9  -18 4  o 226.916 7.3052  6271.74    402.217  6496.78    561.881  6035.23    576.024  230.544 10.044  222.094 10.689  8.449966       14.66790 
1 1 1 -9  -18 5  o 185.382 6.4326  4181.27    289.346  4769.02    403.120  3556.71    415.558  197.785 8.4000  170.329 10.100  27.45526       13.13657 
1 1 1 -9  -18 6  o 317.248 9.4195  12279.83   725.093  11937.74   1018.91  12630.82   1032.09  311.881 13.464  320.863 13.257  -8.982178      18.89510 
1 1 1 -9  -18 7  o 123.384 7.5353  1860.02    224.512  0.0000     0.0000   1860.02    224.512  ?       ?       123.384 7.5353  0.000000       7.535325 
1 1 1 -9  -18 8  o 81.616  6.8502  815.912    134.401  0.0000     0.0000   815.912    134.401  ?       ?       81.616  6.8502  0.000000       6.850170 
1 1 1 -9  -18 9  o 238.385 10.771  6936.56    622.989  0.0000     0.0000   6936.56    622.989  ?       ?       238.385 10.771  0.000000       10.77057 
1 1 1 -9  -18 10 o 189.275 4.5476  4350.83    208.852  4815.74    296.882  3895.34    293.864  199.044 6.1471  178.980 6.7667  20.06485       9.141947 
1 1 1 -9  -18 11 o 115.479 3.5743  1618.87    100.151  1638.87    142.740  1599.47    140.556  116.154 5.0647  114.749 5.0482  1.404472       7.150871 
1 1 1 -9  -18 12 f 353.847 7.2842  15228.83   625.407  14779.41   885.572  15676.00   883.351  348.115 10.484  358.577 10.153  -10.46204      14.59451 
1 1 1 -9  -18 13 o 438.056 8.8847  23367.33   944.358  22009.74   1341.31  24701.73   1329.81  424.234 13.030  449.654 12.188  -25.41949      17.84239 
1 1 1 -9  -18 14 o 447.057 9.0299  24340.53   979.513  23312.52   1391.17  25351.20   1379.39  436.581 13.133  455.449 12.482  -18.86740      18.11807 
1 1 1 -9  -18 15 o 367.707 7.4413  16447.10   663.921  17223.40   944.992  15690.42   932.975  375.819 10.363  358.639 10.721  17.17917       14.91102 
1 1 1 -9  -18 16 o 110.758 3.4377  1489.15    92.386   1643.88    135.878  1356.12    125.989  116.338 4.8135  105.663 4.9141  10.67455       6.878862 
1 1 1 -9  -18 17 o 190.320 4.5255  4399.01    208.986  4262.71    301.262  4525.45    290.153  187.238 6.6311  192.949 6.1976  -5.710983      9.076438 
1 1 1 -9  -18 18 o 256.922 5.5973  8021.50    348.937  7852.73    499.694  8182.10    487.476  253.974 8.1087  259.285 7.7484  -5.310638      11.21556 
1 1 1 -9  -18 19 o 78.715  3.2699  752.165    62.453   844.524    93.318   677.239    84.051   83.254  4.6379  74.523  4.6719  8.731285       6.583065 
1 1 1 -9  -18 20 o 142.086 3.8465  2451.42    132.611  2558.96    193.723  2356.59    181.913  145.102 5.5023  139.252 5.3839  5.850510       7.698184 
1 1 1 -9  -18 21 o 307.442 6.3926  11497.33   476.875  12321.92   681.404  10705.78   667.612  317.898 8.8339  296.240 9.2879  21.65796       12.81806 
1 1 1 -9  -18 22 o 188.761 4.5589  4328.94    208.805  4028.52    302.166  4603.50    288.871  181.930 6.8451  194.543 6.1196  -12.61319      9.181759 
1 1 1 -9  -18 23 o 228.300 5.1438  6335.85    284.943  6299.85    410.111  6369.45    396.189  227.407 7.4325  228.696 7.1397  -1.289047      10.30616 
1 1 1 -9  -18 24 o 84.733  3.3908  871.849    69.715   800.831    104.859  928.107    93.329   80.976  5.3673  87.285  4.4211  -6.308456      6.953722 
1 1 1 -9  -18 25 o 83.738  4.8803  855.326    98.730   871.187    144.827  841.556    134.947  84.256  7.1516  82.851  6.7720  1.405693       9.849133 
1 1 1 -9  -18 26 o 368.316 10.747  16628.98   960.415  17038.81   1363.60  16225.54   1352.92  370.949 15.150  361.862 15.409  9.087158       21.60900 
1 1 1 -9  -18 27 o 258.608 8.0284  8161.99    503.773  8410.63    718.120  7921.05    706.897  261.757 11.307  253.981 11.471  7.775970       16.10646 
1 1 1 -9  -18 28 o 182.251 6.3512  4044.68    280.859  4013.37    402.664  4074.34    391.944  180.948 9.2015  182.600 8.8462  -1.652344      12.76417 
1 1 1 -9  -18 29 o 90.536  3.5044  995.542    76.983   803.308    115.599  1148.74    103.196  81.028  5.9207  97.222  4.3745  -16.19389      7.361454 
1 1 1 -9  -18 30 o 194.634 4.6943  4605.08    221.695  4586.71    322.383  4621.55    305.358  194.028 6.8477  194.809 6.4601  -0.7807770     9.413989 
1 1 1 -9  -18 31 o 163.772 4.2825  3259.35    170.176  3083.35    249.665  3412.08    232.572  159.120 6.4665  167.456 5.7239  -8.335785      8.635918 
1 1 1 -9  -18 32 o 217.992 5.1101  5778.98    270.294  5567.91    392.377  5969.59    372.876  213.671 7.5682  221.335 6.9430  -7.664322      10.27053 
1 1 1 -9  -18 33 f 60.743  3.8520  450.045    56.479   496.379    88.725   418.479    73.233   63.602  5.8135  58.426  5.2207  5.175457       7.813639 
1 1 1 -9  -18 34 o 73.601  5.2583  662.270    93.287   738.427    154.378  618.466    117.080  77.317  8.3622  70.909  6.8920  6.408737       10.83629 
1 1 1 -9  -18 35 o 145.820 5.8437  2588.37    206.761  2540.70    317.854  2623.34    272.228  143.838 9.1549  146.425 7.6891  -2.587006      11.95553 
1 1 1 -9  -18 36 o 98.492  5.2665  1183.58    125.404  1335.65    202.743  1089.35    159.596  104.269 8.0766  94.261  7.0285  10.00785       10.70656 
1 1 1 -9  -18 37 o 165.812 6.2841  3349.99    252.826  3212.14    384.887  3454.62    335.317  161.565 9.8652  168.125 8.2198  -6.559753      12.84087 
1 1 1 -9  -18 38 o 123.993 3.9988  1868.76    120.306  1618.26    182.475  2061.37    160.007  115.015 6.5659  130.152 5.0667  -15.13719      8.293481 
1 1 1 -9  -18 39 o 184.646 4.6925  4148.30    210.235  4065.23    311.061  4218.15    285.247  182.462 7.0260  185.976 6.3212  -3.514542      9.451071 
1 1 1 -9  -18 40 o 65.961  3.9292  530.935    62.602   546.949    100.780  520.874    79.882   66.654  6.3063  65.202  5.0895  1.452141       8.103892 
1 1 1 -9  -18 41 o 177.854 4.5951  3851.71    198.299  3914.95    295.294  3799.76    267.618  178.919 6.8019  176.377 6.2533  2.542801       9.239623 
1 1 1 -9  -18 42 o 70.388  3.8536  604.679    65.566   572.988    106.010  624.312    83.439   68.133  6.4910  71.404  4.8446  -3.271233      8.099590 
1 1 1 -9  -18 43 o 50.087  4.3170  307.933    51.953   215.051    87.469   358.561    64.578   40.936  9.0470  53.980  4.9868  -13.04484      10.33033 
1 1 1 -9  -18 44 o 79.674  3.8407  773.215    74.249   755.797    119.937  784.038    94.544   78.247  6.3725  79.983  4.8952  -1.735382      8.035632 
1 1 1 -9  -18 45 o 37.583  4.9181  175.525    43.773   93.929     76.439   215.341    53.395   28.215  9.4668  41.601  5.4184  -13.38589      10.90775 
1 1 1 -9  -18 46 o 110.176 3.9655  1480.75    106.011  1452.98    167.147  1499.44    137.118  108.491 6.3776  110.671 5.1062  -2.180000      8.169891 
1 1 1 -9  -18 47 o 94.934  5.6260  1110.46    129.017  965.535    194.678  1223.96    172.283  87.311  9.3339  99.208  7.2062  -11.89703      11.79197 
1 1 1 -9  -18 48 o 76.274  5.6784  719.104    104.339  678.586    159.860  749.175    137.719  72.984  9.2336  77.364  7.4278  -4.380089      11.85041 
1 1 1 -9  -18 49 o 28.233  7.9480  102.201    56.754   -5.8356    96.308   159.678    70.247   22.339  9.6663  35.061  8.3727  -12.72150      12.78827 
1 1 1 -9  -18 50 o 124.091 4.2312  1883.63    127.400  1931.05    204.093  1853.36    163.073  124.674 6.7721  122.750 5.4752  1.923668       8.708540 
1 1 1 -9  -18 51 o 82.454  4.1930  833.955    83.611   716.173    142.633  895.617    103.203  75.314  7.9239  85.259  5.0107  -9.944771      9.375285 
1 1 1 -9  -18 52 o 84.056  4.2584  867.384    86.567   719.318    148.319  943.882    106.609  75.280  8.2554  87.490  5.0433  -12.20955      9.673995 
1 1 1 -9  -18 53 o 13.870  6.3412  -30.7103   47.751   1.7777     111.856  -37.9504   52.804   24.280  10.462  14.334  6.5958  9.945828       12.36746 
1 1 1 -9  -18 54 o 19.578  8.2198  10.952     66.018   41.038     131.404  0.7938     76.354   28.070  11.676  20.193  8.6713  7.877317       14.54388 
1 1 1 -9  -18 55 o 27.670  7.8893  99.378     55.552   62.135     103.607  114.404    65.811   27.012  10.679  29.623  8.6296  -2.610884      13.72959 
1 1 1 -9  -18 56 o 35.083  7.0174  159.732    57.650   52.017     107.509  203.205    68.300   26.556  10.748  39.566  7.3860  -13.00998      13.04144 
1 1 1 -9  -18 57 o 33.177  11.241  142.462    107.788  142.462    107.788  0.0000     0.0000   33.177  11.241  ?       ?       0.000000       11.24118 
1 1 1 -9  -18 58 o 40.265  11.883  226.895    124.077  226.895    124.077  0.0000     0.0000   40.265  11.883  ?       ?       0.000000       11.88333 
1 1 1 -9  -18 59 o 24.859  8.3267  76.691     59.135   168.117    127.795  51.781     66.706   35.473  12.235  22.839  8.6933  12.63381       15.00886 
1 1 1 -9  -18 60 o 79.659  4.9373  790.024    94.961   784.565    179.684  792.140    111.858  76.557  9.9052  79.361  5.8502  -2.804276      11.50382 
1 1 1 -9  -18 61 o 24.415  8.6574  69.969     64.262   216.693    138.770  29.916     72.505   39.240  12.740  21.552  8.7883  17.68792       15.47678 
1 1 1 -9  -18 62 o 78.914  7.3286  798.272    138.723  773.688    233.318  811.715    172.531  73.200  13.638  78.377  9.2506  -5.177116      16.47944 
1 1 1 -9  -18 63 o 36.324  8.3928  176.719    72.485   221.546    167.284  166.357    80.428   39.750  13.982  34.999  9.3089  4.751526       16.79718 
1 1 1 -9  -18 64 o 54.812  6.9861  387.424    90.800   0.0000     0.0000   387.424    90.800   ?       ?       54.812  6.9861  0.000000       6.986100 
1 1 1 -9  -18 65 o 35.129  10.923  172.546    102.970  0.0000     0.0000   172.546    102.970  ?       ?       35.129  10.923  0.000000       10.92275 
1 1 1 -9  -17 1  o 76.622  3.3365  712.903    62.032   788.212    90.990   647.509    84.789   80.397  4.6846  72.829  4.8254  7.567917       6.725378 
1 1 1 -9  -17 2  o 242.882 5.4133  7172.25    319.021  7544.25    453.496  6807.80    448.866  248.854 7.5104  236.354 7.8269  12.49985       10.84742 
1 1 1 -9  -17 3  o 214.675 4.9746  5600.38    259.121  6129.16    368.579  5083.63    364.363  224.423 6.7686  204.332 7.3491  20.09169       9.991154 
1 1 1 -9  -17 4  o 39.890  3.6800  194.853    35.217   264.220    54.919   146.407    45.896   46.370  4.9580  34.245  5.7256  12.12469       7.573925 
1 1 1 -9  -17 5  o 396.076 9.3357  19124.79   897.204  19860.91   1098.64  17650.86   1554.60  403.191 11.230  378.419 16.931  24.77237       20.31673 
1 1 1 -9  -17 6  o 158.906 8.4032  3083.10    322.851  0.0000     0.0000   3083.10    322.851  ?       ?       158.906 8.4032  0.000000       8.403185 
1 1 1 -9  -17 7  o 409.703 16.822  20640.64   1672.33  0.0000     0.0000   20640.64   1672.33  ?       ?       409.703 16.822  0.000000       16.82249 
1 1 1 -9  -17 8  o 261.449 11.518  8342.22    730.706  0.0000     0.0000   8342.22    730.706  ?       ?       261.449 11.518  0.000000       11.51838 
1 1 1 -9  -17 9  o 107.380 4.9952  1400.38    130.149  1474.61    181.691  1322.14    186.522  109.927 6.8458  104.007 7.4401  5.920364       10.11044 
1 1 1 -9  -17 10 o 150.344 5.6781  2745.85    207.136  2625.13    289.208  2873.01    296.808  146.674 8.1586  153.479 7.9977  -6.805542      11.42483 
1 1 1 -9  -17 11 o 473.625 9.4940  27312.24   1091.05  26592.38   1548.65  28021.68   1537.38  466.445 13.683  478.932 13.230  -12.48679      19.03288 
1 1 1 -9  -17 12 o 271.636 5.8247  8963.68    383.910  8953.73    548.517  8973.23    537.511  271.297 8.3326  271.608 8.1561  -0.3106995     11.65992 
1 1 1 -9  -17 13 o 66.908  3.1356  543.318    50.905   452.648    76.047   616.928    68.520   60.828  5.2025  71.177  3.9835  -10.34874      6.552435 
1 1 1 -9  -17 14 o 270.342 5.7833  8878.32    379.361  9061.00    542.164  8703.09    531.005  272.930 8.1868  267.486 8.1815  5.444183       11.57417 
1 1 1 -9  -17 15 o 465.493 9.3012  26378.73   1050.55  26293.63   1491.64  26462.49   1479.83  463.923 13.251  465.446 13.103  -1.523163      18.63562 
1 1 1 -9  -17 16 o 144.668 3.8213  2540.62    134.139  2846.54    195.136  2266.56    184.695  153.090 5.2532  136.597 5.5725  16.49319       7.658285 
1 1 1 -9  -17 17 o 117.426 3.5349  1673.77    100.717  1770.79    147.594  1589.22    137.782  120.748 5.0376  114.393 4.9640  6.355820       7.072372 
1 1 1 -9  -17 18 o 277.862 5.8896  9381.36    397.081  9980.14    567.851  8808.41    555.469  286.386 8.1718  269.016 8.5098  17.37042       11.79809 
1 1 1 -9  -17 19 o 406.694 8.2353  20131.84   812.661  20177.38   1155.93  20087.35   1142.74  406.478 11.720  405.595 11.612  0.8833313      16.49812 
1 1 1 -9  -17 20 f 159.699 4.0775  3096.77    158.001  3283.41    229.690  2929.12    217.687  164.371 5.7591  155.249 5.7788  9.122025       8.158549 
1 1 1 -9  -17 21 o 389.907 7.9426  18509.19   751.431  18297.02   1069.80  18715.80   1055.70  386.946 11.394  391.418 11.116  -4.471344      15.91824 
1 1 1 -9  -17 22 o 34.307  4.1932  145.075    34.179   177.743    53.240   122.172    44.579   37.771  6.0106  31.161  6.1143  6.609501       8.573923 
1 1 1 -9  -17 23 o 221.257 5.1086  5949.58    274.259  5333.82    394.915  6523.23    381.172  209.254 7.7780  231.523 6.7852  -22.26985      10.32161 
1 1 1 -9  -17 24 o 235.731 5.2775  6755.46    301.865  6772.67    434.353  6739.38    419.822  235.774 7.5925  235.225 7.3556  0.5495911      10.57121 
1 1 1 -9  -17 25 o 72.942  3.3882  646.074    59.967   563.861    91.134   708.853    79.637   67.862  5.5842  76.260  4.3216  -8.397957      7.061149 
1 1 1 -9  -17 26 o 123.132 5.2689  1843.74    157.417  1955.72    227.531  1740.93    218.016  126.450 7.4487  119.262 7.5732  7.187622       10.62243 
1 1 1 -9  -17 27 o 238.520 7.5797  6937.53    438.670  6986.28    625.805  6890.43    615.080  238.729 10.804  237.111 10.691  1.617889       15.19917 
1 1 1 -9  -17 28 f 162.253 6.0030  3204.33    236.332  3100.49    339.304  3302.18    329.364  159.061 8.8261  164.263 8.2904  -5.201920      12.10914 
1 1 1 -9  -17 29 o 137.293 3.9035  2289.93    130.035  2376.09    192.399  2217.47    176.432  139.746 5.6741  135.020 5.3854  4.725754       7.822925 
1 1 1 -9  -17 30 o 107.337 3.6567  1399.41    95.236   1255.56    142.530  1515.43    128.007  101.413 5.8166  111.653 4.7250  -10.24026      7.493845 
1 1 1 -9  -17 31 o 79.254  3.5093  762.866    67.484   897.771    103.388  662.722    89.078   85.784  4.9886  73.658  5.0139  12.12674       7.072890 
1 1 1 -9  -17 32 o 96.809  3.6607  1138.37    85.989   1190.83    131.171  1098.84    113.869  98.789  5.4940  94.937  4.9604  3.851753       7.401967 
1 1 1 -9  -17 33 o ?       ?       -136.2916  24.422   -187.0153  48.365   -118.9318  28.294   ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  -17 34 o 184.914 4.5693  4156.34    205.014  4482.06    301.404  3875.89    279.679  191.836 6.4752  178.394 6.4612  13.44186       9.147457 
1 1 1 -9  -17 35 o 194.176 6.7616  4594.34    318.575  4547.00    477.188  4632.40    427.898  192.363 10.261  194.642 9.0602  -2.278976      13.68826 
1 1 1 -9  -17 36 o 163.291 6.1944  3247.31    245.428  3152.00    373.980  3319.40    325.271  160.154 9.6691  164.866 8.1311  -4.711624      12.63355 
1 1 1 -9  -17 37 o 170.475 6.2145  3540.24    257.056  3909.68    392.091  3261.76    340.424  178.509 9.0823  163.100 8.6328  15.40970       12.53053 
1 1 1 -9  -17 38 o 138.687 3.9500  2337.68    132.923  2398.27    191.469  2281.31    184.679  140.344 5.6227  136.884 5.5603  3.459274       7.907688 
1 1 1 -9  -17 39 o 32.741  4.8346  133.234    37.252   161.760    52.695   104.736    52.670   35.909  6.2763  28.751  7.4790  7.158669       9.763634 
1 1 1 -9  -17 40 o 35.609  4.5086  156.733    38.083   160.388    52.196   152.573    55.688   35.747  6.2451  34.750  6.8481  0.9974937      9.268120 
1 1 1 -9  -17 41 o 194.115 4.7119  4588.60    221.930  4379.05    318.384  4786.63    309.516  189.218 6.9347  197.937 6.4445  -8.719040      9.466858 
1 1 1 -9  -17 42 o 53.754  3.7879  353.282    49.090   259.968    69.004   448.900    69.851   45.672  6.4027  60.504  4.7973  -14.83158      8.000524 
1 1 1 -9  -17 43 o 91.269  3.5526  1013.55    78.674   967.887    113.186  1056.23    109.432  88.881  5.2719  92.927  4.8702  -4.045914      7.177161 
1 1 1 -9  -17 44 o 130.853 3.8522  2085.52    122.309  2016.51    176.486  2149.29    169.658  128.375 5.6658  132.610 5.2727  -4.234573      7.739706 
1 1 1 -9  -17 45 o 115.507 3.6980  1625.41    103.642  1486.98    149.152  1754.65    144.122  110.045 5.6045  119.813 4.9575  -9.768982      7.482434 
1 1 1 -9  -17 46 o 127.545 3.8687  1983.76    119.728  1937.30    172.795  2026.66    166.047  125.676 5.6665  128.624 5.3204  -2.948578      7.772767 
1 1 1 -9  -17 47 o 25.454  6.3263  82.901     38.902   61.561     47.133   128.503    68.900   22.696  7.4273  31.596  8.7077  -8.899748      11.44502 
1 1 1 -9  -17 48 o 68.917  4.6485  583.907    77.279   608.347    99.083   545.951    123.478  70.079  5.8814  65.812  7.8899  4.267242       9.840791 
1 1 1 -9  -17 49 o 63.720  4.7192  500.029    72.446   539.467    92.920   438.894    115.691  65.940  5.8690  58.727  8.3545  7.212696       10.20990 
1 1 1 -9  -17 50 o 79.424  4.1927  773.533    80.513   765.758    136.063  777.722    99.875   78.205  7.2529  79.411  5.2123  -1.205780      8.931521 
1 1 1 -9  -17 51 o 45.071  5.2489  252.929    56.327   191.310    107.942  275.987    66.030   38.123  11.036  46.949  5.9284  -8.826313      12.52787 
1 1 1 -9  -17 52 o 63.952  4.4639  503.608    68.834   388.001    124.009  555.088    82.752   54.536  9.7282  67.003  5.1290  -12.46687      10.99746 
1 1 1 -9  -17 53 o 71.721  6.5107  643.604    112.069  667.000    190.838  631.288    138.458  70.885  11.489  70.386  8.2644  0.4989700      14.15239 
1 1 1 -9  -17 54 o 32.746  9.9057  139.905    85.418   268.282    145.915  72.977     105.357  44.201  12.842  28.007  10.857  16.19412       16.81623 
1 1 1 -9  -17 55 o 45.283  6.1034  259.195    65.353   279.651    114.148  249.221    79.709   45.528  10.541  43.864  7.7738  1.663822       13.09744 
1 1 1 -9  -17 56 o 29.855  7.1385  116.436    51.012   32.698     108.934  139.956    57.733   25.492  10.620  32.697  7.4438  -7.205517      12.96882 
1 1 1 -9  -17 57 o 29.794  11.090  100.042    107.237  100.042    107.237  0.0000     0.0000   29.794  11.090  ?       ?       0.000000       11.09049 
1 1 1 -9  -17 58 o 22.587  7.5068  62.479     48.079   -6.9430    104.816  80.978     54.108   22.739  9.9579  25.188  7.9319  -2.449125      12.73087 
1 1 1 -9  -17 59 o 38.249  7.6586  192.541    68.598   173.637    143.124  198.179    78.160   36.263  12.914  38.492  8.5868  -2.229729      15.50785 
1 1 1 -9  -17 60 o 51.055  6.5718  333.316    79.522   455.629    162.243  294.640    91.232   56.791  12.142  47.273  8.2541  9.518730       14.68175 
1 1 1 -9  -17 61 o 14.693  6.8502  -50.9204   59.836   -122.8615  129.247  -31.2945   67.507   20.637  9.7604  16.889  7.6505  3.747585       12.40147 
1 1 1 -9  -17 62 f 41.391  10.088  234.860    100.389  129.544    171.066  290.181    123.982  34.573  13.704  45.549  11.278  -10.97633      17.74816 
1 1 1 -9  -17 63 o 47.820  6.5699  293.212    74.216   276.282    145.638  299.151    86.256   43.738  12.865  47.856  7.6886  -4.118042      14.98731 
1 1 1 -9  -17 64 o 54.952  7.2980  391.358    94.902   0.0000     0.0000   391.358    94.902   ?       ?       54.952  7.2980  0.000000       7.298049 
1 1 1 -9  -16 1  o 137.624 3.8389  2300.10    128.193  2440.97    183.773  2166.58    178.911  141.710 5.3446  133.499 5.5232  8.210815       7.685767 
1 1 1 -9  -16 2  f 135.147 3.7926  2217.79    124.366  2414.67    178.168  2030.70    173.678  140.964 5.2090  129.258 5.5376  11.70639       7.602602 
1 1 1 -9  -16 3  o 177.804 4.4004  3839.46    189.845  4126.69    270.889  3562.23    266.136  184.248 6.0593  171.164 6.4081  13.08427       8.819213 
1 1 1 -9  -16 4  o 277.543 5.9463  9361.51    400.441  9976.93    568.601  8755.92    564.046  286.299 8.1851  268.155 8.6689  18.14410       11.92249 
1 1 1 -9  -16 5  o 191.147 6.4440  4440.93    298.873  0.0000     0.0000   4440.93    298.873  ?       ?       191.147 6.4440  0.000000       6.443977 
1 1 1 -9  -16 6  o 404.020 11.608  19913.37   1137.95  0.0000     0.0000   19913.37   1137.95  ?       ?       404.020 11.608  0.000000       11.60798 
1 1 1 -9  -16 7  o 120.844 7.4477  1782.18    217.314  0.0000     0.0000   1782.18    217.314  ?       ?       120.844 7.4477  0.000000       7.447659 
1 1 1 -9  -16 8  o 391.477 11.340  18680.19   1077.18  19627.97   1519.46  17722.63   1527.28  400.443 15.638  380.308 16.551  20.13434       22.77020 
1 1 1 -9  -16 9  o 370.901 15.266  16826.50   1373.91  16826.50   1373.91  0.0000     0.0000   370.901 15.266  ?       ?       0.000000       15.26639 
1 1 1 -9  -16 10 o 306.124 9.0556  11401.12   672.633  11379.43   959.891  11422.04   942.832  305.385 12.954  305.990 12.699  -0.6054077     18.14032 
1 1 1 -9  -16 11 o 101.755 4.6543  1257.07    114.914  1282.16    169.337  1235.65    156.453  102.493 6.8486  100.646 6.4403  1.847839       9.401100 
1 1 1 -9  -16 12 o 211.614 5.5851  5438.46    286.773  5097.16    506.947  5599.08    347.763  204.617 10.211  214.668 6.6765  -10.05122      12.19980 
1 1 1 -9  -16 13 o 198.555 4.6498  4786.40    224.015  4531.72    322.057  5025.12    311.801  193.118 6.8730  203.384 6.3183  -10.26630      9.335873 
1 1 1 -9  -16 14 o 101.745 3.3488  1256.39    82.673   1206.33    121.401  1299.68    112.897  99.546  5.0426  103.467 4.4969  -3.921371      6.756489 
1 1 1 -9  -16 15 o 309.288 6.4713  11622.05   485.641  11584.77   692.667  11658.10   681.079  308.560 9.2517  309.553 9.0677  -0.9928284     12.95442 
1 1 1 -9  -16 16 o 389.791 7.9331  18473.90   750.305  18030.75   1067.13  18907.15   1055.15  384.630 11.434  393.929 11.039  -9.298065      15.89356 
1 1 1 -9  -16 17 o 398.707 8.1167  19332.41   785.233  18698.46   1116.73  19952.37   1104.35  391.599 11.753  404.601 11.249  -13.00247      16.26866 
1 1 1 -9  -16 18 o 108.784 3.4553  1436.37    91.206   1642.09    134.228  1259.93    124.310  116.290 4.7570  101.858 5.0298  14.43198       6.923019 
1 1 1 -9  -16 19 o 411.297 8.3131  20581.83   829.630  20504.29   1179.84  20657.66   1166.81  409.917 11.862  411.483 11.687  -1.565125      16.65191 
1 1 1 -9  -16 20 o 198.270 4.6641  4773.85    224.382  4733.30    323.735  4811.34    311.278  197.320 6.7617  198.958 6.4480  -1.638367      9.343278 
1 1 1 -9  -16 21 o 272.698 5.8802  9037.24    389.079  8957.15    557.059  9113.52    543.668  271.241 8.4641  273.629 8.1886  -2.388000      11.77683 
1 1 1 -9  -16 22 o 176.651 4.3727  3789.79    187.425  3659.33    271.426  3908.68    259.119  173.478 6.4483  179.321 5.9553  -5.842773      8.777578 
1 1 1 -9  -16 23 o 126.315 3.6832  1937.31    112.888  2243.01    166.152  1675.19    153.853  135.868 5.0399  117.404 5.4008  18.46361       7.387131 
1 1 1 -9  -16 24 o 124.404 3.6756  1879.30    110.950  2155.97    163.543  1643.38    151.019  133.194 5.0604  116.275 5.3528  16.91875       7.366164 
1 1 1 -9  -16 25 o 326.966 6.7958  13014.24   539.144  13355.22   770.413  12686.97   754.757  330.661 9.6023  322.271 9.6521  8.390045       13.61498 
1 1 1 -9  -16 26 o 72.699  5.0707  645.640    88.886   628.965    129.201  660.623    122.476  71.443  7.5685  73.322  6.9679  -1.879066      10.28756 
1 1 1 -9  -16 27 o 214.630 7.0610  5612.65    367.721  5562.92    524.815  5660.61    515.386  213.194 10.145  215.107 9.8745  -1.913528      14.15744 
1 1 1 -9  -16 28 o 247.276 7.7818  7458.02    466.902  8012.04    665.448  6920.83    655.268  255.681 10.726  237.484 11.372  18.19714       15.63221 
1 1 1 -9  -16 29 o 376.535 7.6685  17290.06   700.619  17400.43   994.552  17181.33   987.139  376.749 10.880  374.374 10.867  2.375031       15.37712 
1 1 1 -9  -16 30 o 253.506 5.5041  7817.33    338.561  8008.14    482.268  7631.91    475.400  256.249 7.7565  250.144 7.8326  6.104767       11.02325 
1 1 1 -9  -16 31 o 183.213 4.5297  4079.62    201.369  4132.14    287.615  4029.13    282.025  184.221 6.4344  181.915 6.3893  2.306030       9.067793 
1 1 1 -9  -16 32 o 98.434  3.4642  1176.73    82.740   1106.47    118.232  1244.17    115.828  95.253  5.1345  101.170 4.7184  -5.917023      6.973313 
1 1 1 -9  -16 33 o 120.050 3.7107  1750.61    108.090  1813.29    155.443  1691.93    150.407  122.106 5.2465  117.949 5.2555  4.157265       7.425995 
1 1 1 -9  -16 34 o 200.927 4.7854  4908.05    233.303  5007.81    333.665  4812.62    326.337  202.747 6.7825  198.759 6.7667  3.988647       9.580751 
1 1 1 -9  -16 35 o 235.182 7.5892  6746.38    433.073  6972.91    639.431  6554.40    588.633  238.383 11.055  231.248 10.491  7.134644       15.24021 
1 1 1 -9  -16 36 o 255.219 8.0652  7952.60    499.451  8155.34    733.747  7777.56    681.773  257.544 11.742  251.669 11.165  5.875534       16.20241 
1 1 1 -9  -16 37 o 251.697 8.0479  7737.48    491.503  7747.73    723.594  7728.69    669.708  250.876 11.887  250.827 11.004  0.4910278E-01  16.19833 
1 1 1 -9  -16 38 o 189.246 4.6437  4355.49    213.232  4543.90    305.631  4176.80    297.639  193.068 6.5241  185.091 6.6274  7.977310       9.299792 
1 1 1 -9  -16 39 o 159.401 4.2399  3089.49    163.987  3064.81    235.334  3112.78    228.636  158.572 6.1164  159.834 5.8954  -1.262299      8.495040 
1 1 1 -9  -16 40 o 44.667  4.1666  244.744    44.636   249.914    61.835   239.119    64.499   44.911  5.8107  43.843  6.2390  1.067669       8.525754 
1 1 1 -9  -16 41 o 120.490 3.7772  1765.48    110.431  1740.51    159.045  1788.73    153.450  119.478 5.4861  121.151 5.2201  -1.672318      7.572792 
1 1 1 -9  -16 42 o 122.503 3.8064  1825.78    113.143  1818.23    163.003  1832.79    157.171  122.062 5.5037  122.578 5.2844  -0.5157471     7.629881 
1 1 1 -9  -16 43 o 91.751  3.5607  1024.25    79.271   1072.93    114.635  979.651    109.738  93.634  5.0645  89.457  5.0766  4.176712       7.170874 
1 1 1 -9  -16 44 f 11.909  5.1185  -2.0854    26.643   -8.5161    34.156   7.9083     42.580   12.930  5.6727  16.048  6.6586  -3.117747      8.747369 
1 1 1 -9  -16 45 o 28.517  5.0261  102.295    33.507   104.969    45.754   99.202     49.206   28.658  6.7000  27.861  7.2199  0.7968597      9.849722 
1 1 1 -9  -16 46 o 90.046  3.6068  988.038    78.805   966.135    114.047  1008.05    109.017  88.657  5.3263  90.640  4.9759  -1.982994      7.288979 
1 1 1 -9  -16 47 o 12.715  5.5916  -8.7779    33.361   -21.9872   39.003   27.230     64.396   12.824  5.8115  20.838  8.3590  -8.014253      10.18071 
1 1 1 -9  -16 48 o 40.848  5.1363  207.708    49.782   253.427    61.501   120.824    84.781   45.051  5.7579  31.139  9.9422  13.91174       11.48912 
1 1 1 -9  -16 49 o 22.386  6.6312  62.894     38.577   107.756    46.783   -32.4226   68.191   28.952  6.7789  17.177  7.7433  11.77507       10.29139 
1 1 1 -9  -16 50 o 66.809  3.7945  546.736    61.257   550.089    87.511   543.515    85.775   66.678  5.4568  66.293  5.3789  0.3843918      7.662178 
1 1 1 -9  -16 51 o 57.850  4.1243  411.316    57.513   432.067    77.654   386.104    85.596   59.014  5.4858  55.511  6.4767  3.503098       8.487768 
1 1 1 -9  -16 52 o 31.563  5.7922  126.609    42.725   147.827    52.501   85.006     73.516   33.983  6.6051  26.926  9.2801  7.056984       11.39070 
1 1 1 -9  -16 53 o 74.076  6.9217  688.769    122.967  435.897    210.230  820.276    151.606  55.503  15.175  80.520  7.8600  -25.01668      17.08983 
1 1 1 -9  -16 54 o 15.340  7.3178  -95.0235   75.799   -324.9738  128.270  28.359     93.958   16.099  8.0369  23.967  9.9134  -7.868217      12.76196 
1 1 1 -9  -16 55 o 47.296  5.4494  280.186    61.394   469.636    115.352  205.313    72.518   60.456  8.0648  39.715  7.8036  20.74025       11.22213 
1 1 1 -9  -16 56 o 43.411  11.208  258.524    118.867  258.524    118.867  0.0000     0.0000   43.411  11.208  ?       ?       0.000000       11.20777 
1 1 1 -9  -16 57 o 42.484  11.543  250.445    122.083  250.445    122.083  0.0000     0.0000   42.484  11.543  ?       ?       0.000000       11.54278 
1 1 1 -9  -16 58 o 42.083  6.0549  225.605    60.047   40.593     122.083  284.647    68.966   26.869  11.222  47.326  6.1513  -20.45637      12.79744 
1 1 1 -9  -16 59 o 83.239  5.0724  862.667    101.960  792.317    196.270  888.669    119.324  76.382  10.899  84.122  5.8830  -7.740089      12.38549 
1 1 1 -9  -16 60 o 74.363  5.6136  693.305    100.544  440.213    222.081  758.554    112.762  53.404  15.931  77.610  6.0354  -24.20617      17.03631 
1 1 1 -9  -16 61 o 14.360  6.7527  -59.3061   60.258   -130.7925  130.330  -39.8700   67.958   20.529  9.7361  16.504  7.5528  4.024591       12.32221 
1 1 1 -9  -16 62 o 21.442  9.2451  3.5548     87.469   147.827    159.803  -58.1589   104.516  35.177  13.440  20.307  9.3202  14.87001       16.35511 
1 1 1 -9  -16 63 o 22.913  9.0284  45.377     73.833   0.0000     0.0000   45.377     73.833   ?       ?       22.913  9.0284  0.000000       9.028398 
1 1 1 -9  -16 64 o 20.094  8.3192  20.808     66.260   125.690    165.892  0.9002     72.275   33.820  13.467  19.409  8.3860  14.41100       15.86471 
1 1 1 -9  -15 1  o 415.626 8.3874  21037.66   845.855  22183.59   1198.54  19900.55   1193.92  426.058 11.594  403.382 12.198  22.67554       16.82874 
1 1 1 -9  -15 2  o 240.165 5.3008  7007.18    308.900  7544.35    439.031  6480.55    434.702  249.052 7.2651  230.785 7.7628  18.26741       10.63217 
1 1 1 -9  -15 3  o 351.306 7.1955  15006.51   613.356  15941.15   869.844  14082.25   865.007  361.718 9.9108  339.888 10.489  21.82996       14.43037 
1 1 1 -9  -15 4  o 331.947 9.7453  13418.04   784.927  0.0000     0.0000   13418.04   784.927  ?       ?       331.947 9.7453  0.000000       9.745345 
1 1 1 -9  -15 5  f 195.690 6.5393  4653.11    310.500  0.0000     0.0000   4653.11    310.500  ?       ?       195.690 6.5393  0.000000       6.539267 
1 1 1 -9  -15 6  o 295.811 8.8195  10644.24   633.028  0.0000     0.0000   10644.24   633.028  ?       ?       295.811 8.8195  0.000000       8.819512 
1 1 1 -9  -15 7  o 212.795 4.9320  5497.97    254.654  5789.66    361.770  5211.50    358.522  218.288 6.8303  207.088 7.1350  11.20030       9.877336 
1 1 1 -9  -15 8  o 198.869 6.5023  4804.46    313.761  4797.18    451.438  4811.26    436.396  198.577 9.3693  198.887 9.0430  -0.3100281     13.02145 
1 1 1 -9  -15 9  o 61.037  4.3148  454.495    63.491   482.432    95.782   432.596    84.798   62.697  6.3852  59.384  5.9658  3.313213       8.738529 
1 1 1 -9  -15 10 o 305.295 9.0508  11335.44   670.458  11210.59   957.887  11455.35   938.745  303.212 13.020  306.551 12.621  -3.338989      18.13271 
1 1 1 -9  -15 11 o 171.583 5.9767  3575.56    248.828  3342.76    360.913  3786.47    343.522  165.547 9.0190  176.497 8.0215  -10.94914      12.07004 
1 1 1 -9  -15 12 o 354.484 10.583  15295.42   910.283  12613.36   1298.07  17890.57   1276.86  320.688 16.740  382.945 13.742  -62.25763      21.65803 
1 1 1 -9  -15 13 o 173.029 4.2596  3634.17    178.834  3397.73    257.933  3853.06    248.167  167.250 6.3559  178.124 5.7419  -10.87399      8.565454 
1 1 1 -9  -15 14 o 298.267 6.3006  10805.94   455.983  10549.32   650.520  11053.81   639.341  294.514 9.1031  301.503 8.7393  -6.989075      12.61912 
1 1 1 -9  -15 15 o 60.885  3.1619  451.091    46.551   506.869    69.745   406.281    62.513   64.461  4.4871  57.676  4.5026  6.785160       6.356698 
1 1 1 -9  -15 16 o 187.799 4.4900  4281.52    204.600  4181.51    294.961  4374.26    284.044  185.527 6.5523  189.769 6.1687  -4.242294      8.999222 
1 1 1 -9  -15 17 o 214.331 4.9402  5577.64    256.917  5167.59    369.194  5962.66    357.748  206.202 7.3790  221.534 6.6554  -15.33214      9.937017 
1 1 1 -9  -15 18 o 306.315 6.4258  11399.44   477.592  11545.92   681.669  11258.21   669.334  308.057 9.1197  304.199 9.0682  3.857666       12.86079 
1 1 1 -9  -15 19 f 208.512 4.8314  5279.19    244.439  5136.80    351.697  5412.25    339.980  205.583 7.0505  211.044 6.6392  -5.461502      9.684416 
1 1 1 -9  -15 20 o 341.156 7.0937  14148.24   587.205  13862.88   837.148  14424.62   823.878  337.338 10.228  344.154 9.8661  -6.815887      14.21069 
1 1 1 -9  -15 21 o 343.049 7.1093  14308.70   591.763  14174.78   843.934  14438.23   830.000  341.044 10.198  344.238 9.9370  -3.193909      14.23910 
1 1 1 -9  -15 22 o 240.843 5.3362  7046.98    311.837  7295.74    448.058  6813.30    434.273  244.889 7.5405  236.652 7.5629  8.237183       10.67974 
1 1 1 -9  -15 23 o 410.887 8.3841  20560.77   835.882  20106.65   1189.72  21003.46   1174.65  405.489 12.092  414.543 11.678  -9.054565      16.81070 
1 1 1 -9  -15 24 o 122.961 3.7102  1835.84    110.697  1957.52    163.682  1733.28    150.273  126.914 5.3153  119.429 5.1857  7.485130       7.425898 
1 1 1 -9  -15 25 o 93.477  3.3037  1060.88    74.931   1025.28    107.043  1095.09    104.927  91.729  4.8263  94.940  4.5548  -3.210670      6.636254 
1 1 1 -9  -15 26 o 283.974 8.5741  9838.07    590.789  10230.86   825.738  9426.15    845.620  288.877 11.781  277.082 12.578  11.79547       17.23316 
1 1 1 -9  -15 27 o 178.218 6.0711  3865.05    262.534  3845.61    362.176  3886.58    381.105  177.523 8.4082  178.417 8.8033  -0.8935089     12.17354 
1 1 1 -9  -15 28 o 245.142 7.6023  7327.13    452.195  7396.44    629.428  7253.20    650.073  245.732 10.556  243.238 11.015  2.493958       15.25646 
1 1 1 -9  -15 29 o 142.746 5.4333  2478.45    188.187  2684.22    257.119  2241.04    276.175  148.415 7.1399  135.231 8.4593  13.18443       11.06968 
1 1 1 -9  -15 30 o 49.397  3.5783  297.904    42.597   362.065    61.264   237.855    59.269   54.377  4.6891  43.851  5.7055  10.52620       7.385151 
1 1 1 -9  -15 31 o 302.152 6.4466  11115.37   472.632  11245.14   671.924  10988.29   664.937  303.373 9.1281  299.885 9.1382  3.487030       12.91622 
1 1 1 -9  -15 32 o 171.498 4.3255  3573.95    179.996  3518.65    257.116  3627.10    252.066  170.020 6.2325  172.640 6.0174  -2.619614      8.663351 
1 1 1 -9  -15 33 o 264.570 5.8080  8516.91    372.845  8731.74    531.057  8308.08    523.588  267.503 8.1818  260.916 8.2704  6.586639       11.63362 
1 1 1 -9  -15 34 o 382.079 7.7762  17805.77   720.912  18034.87   1023.80  17580.46   1015.30  383.508 11.002  378.627 11.051  4.880371       15.59428 
1 1 1 -9  -15 35 o 107.045 5.3234  1393.78    138.268  1396.81    217.719  1391.73    179.000  106.619 8.4861  106.646 6.9555  -0.2684021E-01 10.97240 
1 1 1 -9  -15 36 o 65.786  5.5460  530.309    87.702   558.467    148.370  515.187    108.730  66.929  9.3950  64.634  7.0473  2.294861       11.74439 
1 1 1 -9  -15 37 o 196.488 6.7212  4705.38    320.440  5127.90    480.948  4368.09    429.708  204.617 9.6871  188.907 9.3748  15.71001       13.48061 
1 1 1 -9  -15 38 o 171.738 4.3633  3585.75    181.823  3789.78    260.595  3392.20    253.813  176.382 6.0890  166.853 6.2692  9.528687       8.739544 
1 1 1 -9  -15 39 o 184.734 4.5765  4150.90    205.136  4233.67    293.875  4072.26    286.478  186.325 6.5002  182.744 6.4608  3.580688       9.164837 
1 1 1 -9  -15 40 o 270.691 6.7335  8945.88    442.259  8931.50    752.443  8953.47    546.652  268.843 11.535  270.355 8.3332  -1.511597      14.23006 
1 1 1 -9  -15 41 f 210.849 5.0546  5416.18    258.597  5238.24    369.949  5586.20    361.616  206.871 7.3702  213.730 6.9730  -6.859421      10.14603 
1 1 1 -9  -15 42 o 93.207  3.6179  1056.65    81.822   1028.75    117.661  1082.77    113.859  91.685  5.3117  94.113  5.0040  -2.428612      7.297555 
1 1 1 -9  -15 43 f 13.842  5.5903  10.058     29.014   16.746     39.709   2.3991     42.496   16.492  6.5820  15.531  6.5615  0.9617729      9.293890 
1 1 1 -9  -15 44 o 64.844  3.6100  513.428    56.574   522.435    80.404   504.598    79.617   65.201  5.1235  64.065  5.1657  1.136124       7.275640 
1 1 1 -9  -15 45 o 88.470  3.5952  953.259    77.177   950.470    110.575  955.909    107.768  88.005  5.2014  88.286  5.0517  -0.2810593     7.250810 
1 1 1 -9  -15 46 o 94.929  3.6147  1098.11    83.260   1060.27    119.615  1133.67    115.964  92.892  5.3292  96.138  4.9884  -3.245758      7.299615 
1 1 1 -9  -15 47 o 151.099 5.6443  2802.76    206.934  2662.42    277.806  2977.68    310.157  146.269 7.8563  154.484 8.3048  -8.215317      11.43203 
1 1 1 -9  -15 48 o 88.092  4.7815  952.869    101.820  911.765    131.622  1014.12    160.676  85.767  6.3702  90.151  7.4111  -4.383530      9.772579 
1 1 1 -9  -15 49 o 65.634  4.7754  530.417    75.530   549.814    95.512   498.043    123.395  66.559  5.9778  62.656  8.3225  3.903160       10.24692 
1 1 1 -9  -15 50 o 45.123  4.6352  251.922    50.028   224.415    66.333   288.210    76.187   42.097  6.7200  47.815  6.7548  -5.718311      9.528155 
1 1 1 -9  -15 51 o 29.877  6.2373  114.231    43.757   109.301    56.462   121.644    69.237   29.100  7.8262  30.720  8.8232  -1.619986      11.79404 
1 1 1 -9  -15 52 o 36.268  5.3475  165.195    45.646   161.426    59.382   170.638    71.362   35.422  7.1553  36.194  8.3024  -0.7711105     10.96033 
1 1 1 -9  -15 53 o 61.310  7.2201  474.994    105.349  396.393    186.643  511.744    127.623  53.301  14.183  63.185  8.5434  -9.884712      16.55720 
1 1 1 -9  -15 54 o 73.006  6.5673  668.502    115.091  917.116    207.575  558.149    138.294  83.692  10.450  65.754  8.8963  17.93719       13.72363 
1 1 1 -9  -15 55 o 55.735  5.8337  389.322    77.724   389.322    77.724   0.0000     0.0000   55.735  5.8337  ?       ?       0.000000       5.833748 
1 1 1 -9  -15 56 o 32.568  7.4513  138.852    57.607   138.852    57.607   0.0000     0.0000   32.568  7.4513  ?       ?       0.000000       7.451333 
1 1 1 -9  -15 57 o 66.205  4.0106  540.422    64.121   542.717    89.396   537.991    92.024   65.832  5.6513  65.469  5.8547  0.3629379      8.137289 
1 1 1 -9  -15 58 o 58.409  3.8810  420.927    54.689   418.580    72.181   424.091    83.797   57.865  5.1963  57.950  6.0486  -0.8509064E-01 7.974161 
1 1 1 -9  -15 59 o 37.944  8.0936  190.758    72.243   115.333    155.675  211.459    81.556   33.161  13.096  39.779  8.6926  -6.618023      15.71828 
1 1 1 -9  -15 60 o 62.450  5.6685  490.092    84.958   423.058    169.511  512.580    98.180   54.227  13.042  63.559  6.4559  -9.331512      14.55282 
1 1 1 -9  -15 61 o 32.336  10.697  137.213    97.664   -17.9634   174.348  208.172    117.899  28.237  12.581  38.727  11.620  -10.49022      17.12639 
1 1 1 -9  -15 62 o 32.902  11.352  140.164    110.024  0.0000     0.0000   140.164    110.024  ?       ?       32.902  11.352  0.000000       11.35214 
1 1 1 -9  -15 63 o 58.506  6.9945  439.265    97.325   0.0000     0.0000   439.265    97.325   ?       ?       58.506  6.9945  0.000000       6.994512 
1 1 1 -9  -15 64 f 46.031  7.1631  275.633    77.404   230.605    146.817  292.966    91.092   40.020  13.109  46.978  8.2946  -6.958084      15.51293 
1 1 1 -9  -14 1  o 121.474 3.6442  1791.23    107.411  1985.81    154.187  1607.79    149.715  127.869 4.9695  115.047 5.3632  12.82289       7.311679 
1 1 1 -9  -14 2  o 170.999 4.2670  3550.00    177.045  3869.03    253.086  3244.27    247.758  178.462 5.8447  163.403 6.2489  15.05833       8.556197 
1 1 1 -9  -14 3  o 263.681 8.0895  8454.65    517.566  0.0000     0.0000   8454.65    517.566  ?       ?       263.681 8.0895  0.000000       8.089508 
1 1 1 -9  -14 4  o 474.175 13.327  27437.12   1533.36  0.0000     0.0000   27437.12   1533.36  ?       ?       474.175 13.327  0.000000       13.32732 
1 1 1 -9  -14 5  o 441.108 12.518  23720.85   1339.81  0.0000     0.0000   23720.85   1339.81  ?       ?       441.108 12.518  0.000000       12.51794 
1 1 1 -9  -14 6  o 242.719 5.2360  7153.12    308.369  8167.18    441.725  6189.10    430.685  259.270 7.0216  225.657 7.8659  33.61276       10.54393 
1 1 1 -9  -14 7  o 93.509  3.2524  1061.13    73.793   963.219    108.507  1145.39    100.653  88.928  5.0495  97.140  4.2704  -8.211586      6.613148 
1 1 1 -9  -14 8  o 136.439 3.6782  2259.30    121.768  2564.76    176.952  1984.55    167.821  145.346 5.0175  127.846 5.4100  17.50024       7.378569 
1 1 1 -9  -14 9  o 103.200 4.6044  1292.83    115.297  1707.40    170.824  945.952    156.257  118.424 5.9640  87.926  7.3928  30.49828       9.498549 
1 1 1 -9  -14 10 o 175.523 5.9928  3741.29    255.229  3968.18    370.676  3536.75    351.947  180.680 8.4551  170.573 8.5036  10.10635       11.99168 
1 1 1 -9  -14 11 o 182.031 6.2875  4024.23    277.705  3416.17    402.682  4575.72    383.490  167.286 9.9658  194.033 8.1454  -26.74704      12.87108 
1 1 1 -9  -14 12 o 174.727 6.1165  3707.59    259.317  3278.19    377.229  4092.31    357.061  163.906 9.5263  183.503 8.0193  -19.59724      12.45229 
1 1 1 -9  -14 13 o 178.333 4.3341  3860.25    187.538  3730.51    270.404  3980.50    260.321  175.259 6.3587  181.049 5.9258  -5.790009      8.691886 
1 1 1 -9  -14 14 o 106.518 3.3786  1376.95    87.323   1595.12    128.006  1187.04    119.426  114.632 4.6022  98.756  5.0003  15.87582       6.795775 
1 1 1 -9  -14 15 o 138.195 3.7480  2317.89    125.677  2642.10    182.746  2026.94    173.113  147.520 5.1054  129.202 5.5220  18.31776       7.520508 
1 1 1 -9  -14 16 o 97.798  3.3619  1160.73    79.778   1098.89    117.236  1214.07    108.873  95.000  5.1047  100.007 4.4867  -5.007210      6.796207 
1 1 1 -9  -14 17 o 242.065 5.2967  7114.76    311.103  7858.42    446.112  6410.71    434.067  254.311 7.2296  229.666 7.7893  24.64493       10.62733 
1 1 1 -9  -14 18 o 460.975 9.2677  25849.09   1036.61  25182.03   1472.49  26504.51   1459.57  454.337 13.357  466.201 12.903  -11.86337      18.57137 
1 1 1 -9  -14 19 o 471.803 9.3905  27084.12   1075.02  27611.16   1527.07  26566.33   1513.62  475.694 13.230  466.578 13.370  9.115479       18.80941 
1 1 1 -9  -14 20 o 268.303 5.7859  8743.83    376.667  8902.77    539.454  8592.61    526.170  270.568 8.2170  265.818 8.1579  4.750305       11.57889 
1 1 1 -9  -14 21 f 166.092 4.1320  3349.05    166.524  3274.81    237.143  3421.26    233.893  164.182 5.9528  167.821 5.7439  -3.639053      8.272127 
1 1 1 -9  -14 22 o 117.649 3.5427  1680.15    101.130  1584.02    144.489  1772.48    141.595  114.197 5.2145  120.809 4.8304  -6.612717      7.108035 
1 1 1 -9  -14 23 o 274.013 5.8540  9124.66    389.213  8961.52    552.884  9284.94    548.009  271.308 8.3986  276.186 8.1775  -4.877411      11.72214 
1 1 1 -9  -14 24 o 21.868  5.3815  60.427     28.361   42.188     40.449   78.065     39.776   19.751  6.8792  24.885  6.5121  -5.133295      9.472661 
1 1 1 -9  -14 25 o 118.295 3.6427  1699.16    104.556  1830.94    149.262  1572.20    146.505  122.750 5.0114  113.735 5.3088  9.014587       7.300520 
1 1 1 -9  -14 26 o 356.060 10.389  15500.35   897.564  15849.24   1258.41  15139.06   1280.57  358.752 14.457  350.400 15.062  8.351624       20.87700 
1 1 1 -9  -14 27 o 361.479 10.455  15989.88   917.047  15648.78   1285.54  16343.31   1308.57  356.039 14.881  363.879 14.821  -7.840302      21.00227 
1 1 1 -9  -14 28 o 250.610 7.7431  7658.02    470.846  7713.32    654.547  7598.71    677.817  250.929 10.750  248.950 11.221  1.978500       15.53979 
1 1 1 -9  -14 29 o 84.221  4.6301  864.725    94.255   830.196    125.092  910.076    143.361  82.342  6.3090  86.160  6.9158  -3.817154      9.361131 
1 1 1 -9  -14 30 f 18.776  5.5756  43.408     27.248   57.585     38.808   29.625     38.266   21.766  6.6954  17.849  6.6288  3.917648       9.421706 
1 1 1 -9  -14 31 o 242.773 5.4311  7168.20    319.928  7254.58    455.504  7084.09    449.449  243.928 7.6960  241.047 7.6845  2.881561       10.87568 
1 1 1 -9  -14 32 o 284.485 6.1244  9849.64    422.753  9766.80    601.231  9930.64    594.550  282.822 8.7612  285.219 8.5910  -2.397522      12.27049 
1 1 1 -9  -14 33 o 233.768 5.2844  6645.63    299.738  6692.83    427.033  6599.79    420.823  234.314 7.5110  232.688 7.4535  1.625916       10.58161 
1 1 1 -9  -14 34 o 367.261 7.5205  16444.29   670.172  16537.80   951.829  16352.37   943.756  367.392 10.677  365.337 10.646  2.055054       15.07821 
1 1 1 -9  -14 35 o 124.503 5.5344  1885.76    167.192  1900.24    259.833  1875.53    218.415  124.438 8.6595  123.826 7.3018  0.6114197      11.32710 
1 1 1 -9  -14 36 o 81.881  5.3878  819.124    106.446  806.553    175.510  826.438    133.880  80.719  9.1211  82.081  6.7829  -1.361801      11.36672 
1 1 1 -9  -14 37 o 161.594 6.1850  3180.13    242.509  3224.51    371.351  3147.12    320.221  162.031 9.4868  160.306 8.2607  1.725327       12.57929 
1 1 1 -9  -14 38 o 202.194 4.8242  4972.44    236.680  5016.90    338.082  4929.71    331.449  202.833 6.8694  201.074 6.7935  1.758911       9.661311 
1 1 1 -9  -14 39 o 289.002 7.0778  10194.43   496.322  9835.79    845.855  10382.75   612.930  282.137 12.356  291.219 8.6742  -9.082306      15.09662 
1 1 1 -9  -14 40 o 103.835 4.0056  1310.94    100.920  1336.70    163.323  1295.03    128.357  104.466 6.4752  103.130 5.1295  1.336296       8.260745 
1 1 1 -9  -14 41 o 225.367 5.2366  6189.49    286.356  6186.05    409.735  6192.77    400.365  224.775 7.5126  224.945 7.3353  -0.1699982     10.49981 
1 1 1 -9  -14 42 f 129.265 3.8570  2032.99    120.973  1961.88    174.219  2099.20    168.108  126.775 5.6637  131.189 5.2811  -4.414284      7.743856 
1 1 1 -9  -14 43 o 123.143 3.8060  1845.73    113.721  1825.97    163.568  1864.21    158.217  122.263 5.5136  123.572 5.2768  -1.309006      7.631811 
1 1 1 -9  -14 44 o 130.904 3.8798  2087.12    123.233  2048.90    177.832  2122.44    170.929  129.413 5.6633  131.774 5.3459  -2.361908      7.787926 
1 1 1 -9  -14 45 o 100.706 3.6370  1235.27    88.870   1215.92    128.374  1253.07    123.151  99.549  5.3341  101.249 5.0128  -1.699867      7.319882 
1 1 1 -9  -14 46 o 12.179  5.2652  -3.4739    28.525   -13.6911   39.860   7.2521     40.840   13.635  6.0484  15.663  6.5119  -2.028511      8.887523 
1 1 1 -9  -14 47 o 131.666 5.3499  2125.57    170.916  2105.94    227.579  2150.97    258.853  130.304 7.2263  131.301 8.1654  -0.9967346     10.90382 
1 1 1 -9  -14 48 f 161.779 5.8950  3219.49    231.403  3106.67    310.673  3360.08    346.807  157.745 8.1446  163.708 8.7626  -5.962814      11.96317 
1 1 1 -9  -14 49 o 59.332  4.8003  433.973    68.514   440.578    86.526   422.870    112.183  59.505  6.0782  57.685  8.2499  1.820171       10.24723 
1 1 1 -9  -14 50 o 99.038  3.8727  1197.87    93.064   1220.87    130.717  1174.22    132.527  99.526  5.4335  97.546  5.6231  1.979820       7.819318 
1 1 1 -9  -14 51 o 56.937  4.2787  398.851    58.679   401.633    78.068   395.238    88.965   56.824  5.7409  56.127  6.6626  0.6963959      8.794789 
1 1 1 -9  -14 52 o 24.305  6.8359  75.412     42.003   63.172     52.485   97.215     70.050   23.185  7.8442  28.009  9.0473  -4.823629      11.97432 
1 1 1 -9  -14 53 o 42.506  8.9889  236.762    89.811   380.842    148.383  153.463    112.824  53.104  11.820  34.759  11.497  18.34502       16.48911 
1 1 1 -9  -14 54 o 58.000  6.4949  423.407    89.836   243.331    185.963  478.224    102.602  42.765  14.759  61.510  6.9993  -18.74403      16.33410 
1 1 1 -9  -14 55 o 54.977  5.8990  379.214    77.461   379.214    77.461   0.0000     0.0000   54.977  5.8990  ?       ?       0.000000       5.899007 
1 1 1 -9  -14 56 o 10.589  4.9701  -32.8825   32.382   -39.2613   42.224   -23.7731   50.458   12.263  5.7300  14.739  6.6510  -2.475792      8.778876 
1 1 1 -9  -14 57 o 19.091  6.3938  43.367     34.867   -4.5241    45.064   114.801    55.036   15.187  6.5918  29.539  7.6263  -14.35161      10.08029 
1 1 1 -9  -14 58 o 56.261  4.1876  391.715    56.756   349.948    78.746   436.868    81.876   52.500  6.3079  58.921  5.8022  -6.420582      8.570616 
1 1 1 -9  -14 59 o 47.501  4.8860  282.105    55.511   272.655    73.890   294.350    84.107   46.059  6.8176  47.613  7.5308  -1.553867      10.15836 
1 1 1 -9  -14 60 o 17.274  6.7745  23.739     41.388   -9.2548    50.716   89.515     71.609   15.739  6.9086  26.892  9.1622  -11.15337      11.47493 
1 1 1 -9  -14 61 o 39.328  10.527  212.484    102.443  281.768    175.386  176.605    126.211  44.132  14.322  36.238  12.165  7.894825       18.79063 
1 1 1 -9  -14 62 o 23.937  10.269  12.114     106.885  0.0000     0.0000   12.114     106.885  ?       ?       23.937  10.269  0.000000       10.26870 
1 1 1 -9  -14 63 o 60.469  5.9453  462.072    86.104   445.855    159.332  468.762    102.333  56.154  12.054  60.400  7.1194  -4.245766      13.99971 
1 1 1 -9  -14 64 o 16.821  7.4740  -15.7546   61.098   -59.9393   126.113  -2.2034    69.841   22.340  10.248  18.888  8.2021  3.452520       13.12584 
1 1 1 -9  -13 1  o 169.899 4.2694  3504.28    176.004  3718.24    251.441  3298.73    246.448  174.956 5.9230  164.783 6.1638  10.17363       8.548380 
1 1 1 -9  -13 2  o 222.093 7.1178  5994.04    383.570  0.0000     0.0000   5994.04    383.570  ?       ?       222.093 7.1178  0.000000       7.117795 
1 1 1 -9  -13 3  o 311.921 9.2628  11834.56   701.049  0.0000     0.0000   11834.56   701.049  ?       ?       311.921 9.2628  0.000000       9.262753 
1 1 1 -9  -13 4  o 450.753 12.721  24764.06   1391.33  0.0000     0.0000   24764.06   1391.33  ?       ?       450.753 12.721  0.000000       12.72116 
1 1 1 -9  -13 5  o 667.455 12.987  54298.32   2103.23  56435.35   2980.57  52178.84   2968.31  678.991 18.091  652.670 18.744  26.32111       26.05031 
1 1 1 -9  -13 6  o 624.419 12.166  47488.53   1843.24  49163.23   2612.74  45829.13   2600.78  634.158 16.980  612.130 17.510  22.02838       24.39120 
1 1 1 -9  -13 7  o 511.900 10.106  31875.03   1255.19  32606.86   1780.95  31152.72   1769.32  517.080 14.195  505.375 14.429  11.70493       20.24055 
1 1 1 -9  -13 8  o 616.239 13.948  46299.32   2085.63  47101.58   3625.13  45902.39   2549.91  618.520 24.155  612.821 17.149  5.699219       29.62321 
1 1 1 -9  -13 9  o 276.653 5.8582  9293.48    393.244  9845.34    561.584  8762.54    550.834  284.635 8.1314  268.509 8.4547  16.12604       11.73034 
1 1 1 -9  -13 10 o 342.941 10.177  14305.15   846.823  12810.12   1208.97  15745.15   1186.52  323.991 15.379  359.423 13.605  -35.43253      20.53304 
1 1 1 -9  -13 11 o 359.975 10.544  15764.44   920.942  14901.16   1314.93  16595.61   1290.24  349.420 15.509  368.901 14.414  -19.48132      21.17336 
1 1 1 -9  -13 12 o 332.582 9.8667  13451.94   796.221  12597.87   1138.84  14268.62   1113.63  321.388 14.604  342.178 13.413  -20.78992      19.82885 
1 1 1 -9  -13 13 o 280.229 8.4483  9544.17    574.440  9673.16    825.593  9423.12    799.784  281.854 12.072  278.206 11.848  3.647949       16.91466 
1 1 1 -9  -13 14 o 613.425 12.122  45822.23   1804.33  44545.99   2557.71  47086.59   2545.76  603.616 17.463  620.742 16.902  -17.12537      24.30328 
1 1 1 -9  -13 15 o 518.503 10.255  32705.21   1290.17  33604.02   1830.67  31818.26   1818.54  524.893 14.374  510.699 14.676  14.19473       20.54217 
1 1 1 -9  -13 16 o 612.343 11.974  45663.88   1779.05  47255.54   2522.31  44088.15   2509.65  621.805 16.718  600.469 17.225  21.33636       24.00386 
1 1 1 -9  -13 17 o 663.553 13.008  53666.16   2094.30  54186.20   2968.29  53150.66   2955.33  665.224 18.390  658.805 18.488  6.419617       26.07641 
1 1 1 -9  -13 18 o 455.285 9.0987  25207.55   1005.15  24672.63   1423.98  25738.75   1419.01  449.865 13.045  459.536 12.726  -9.670685      18.22474 
1 1 1 -9  -13 19 o 319.277 6.7311  12384.17   521.457  12068.59   739.729  12695.89   735.195  314.952 9.6798  323.061 9.3789  -8.109650      13.47821 
1 1 1 -9  -13 20 o 230.091 5.1843  6428.58    289.439  6288.67    411.261  6565.89    407.422  227.467 7.4513  232.439 7.2239  -4.972229      10.37820 
1 1 1 -9  -13 21 o 163.254 4.1656  3235.41    165.007  3136.91    234.887  3331.38    231.852  160.695 6.0241  165.610 5.7698  -4.915176      8.341488 
1 1 1 -9  -13 22 o 185.188 4.5480  4164.10    204.361  4247.92    290.809  4082.32    287.245  186.966 6.4103  183.283 6.4590  3.682693       9.100081 
1 1 1 -9  -13 23 o 70.377  3.3031  601.190    56.405   666.473    80.616   538.583    78.947   73.946  4.5147  66.408  4.9347  7.537308       6.688372 
1 1 1 -9  -13 24 o 290.811 6.2175  10281.13   438.722  10382.47   622.952  10181.42   617.970  291.944 8.7941  289.101 8.8096  2.842560       12.44767 
1 1 1 -9  -13 25 o 449.208 9.0632  24602.71   987.854  24827.13   1399.99  24380.17   1394.10  450.140 12.818  446.048 12.881  4.092041       18.17183 
1 1 1 -9  -13 26 o 229.152 5.1456  6382.19    286.102  6404.36    407.027  6360.54    402.235  229.337 7.3145  228.558 7.2530  0.7789154      10.30089 
1 1 1 -9  -13 27 o 327.843 9.6948  13133.17   771.206  13519.95   1078.89  12729.05   1102.81  331.559 13.411  321.472 14.138  10.08633       19.48676 
1 1 1 -9  -13 28 o 331.605 9.8962  13447.99   796.261  14515.07   1114.08  12333.65   1138.48  343.381 13.371  315.995 14.848  27.38544       19.98176 
1 1 1 -9  -13 29 o 113.661 4.9170  1570.54    135.605  1445.21    182.206  1726.15    203.029  108.703 6.9443  118.822 7.0740  -10.11814      9.912898 
1 1 1 -9  -13 30 o 223.307 5.1308  6063.06    278.002  5834.87    395.565  6285.77    390.787  218.798 7.4509  227.145 7.0904  -8.346207      10.28545 
1 1 1 -9  -13 31 o 119.008 3.6818  1720.19    106.316  1849.96    152.639  1597.90    148.169  123.353 5.0998  114.630 5.3271  8.722511       7.374703 
1 1 1 -9  -13 32 o 63.547  3.4689  491.862    53.284   493.487    77.455   490.402    73.417   63.509  5.0685  63.336  4.8133  0.1736946      6.989862 
1 1 1 -9  -13 33 o 66.871  3.5283  544.590    57.047   577.401    80.845   512.053    80.508   68.747  4.8782  64.689  5.1724  4.058586       7.109941 
1 1 1 -9  -13 34 o 220.737 5.0483  5924.19    270.388  5934.42    385.449  5914.29    379.395  220.679 7.1985  220.318 7.0970  0.3609772      10.10873 
1 1 1 -9  -13 35 o 99.595  5.3557  1209.93    128.951  1267.33    207.081  1173.57    164.803  101.536 8.4830  97.896  6.9838  3.639870       10.98798 
1 1 1 -9  -13 36 o 78.693  5.4845  757.010    104.067  548.422    171.524  878.526    130.916  65.987  11.107  84.694  6.4182  -18.70728      12.82828 
1 1 1 -9  -13 37 o 55.261  6.0276  376.191    79.512   400.271    137.440  364.078    97.480   56.261  10.453  54.101  7.6384  2.159664       12.94628 
1 1 1 -9  -13 38 o 117.223 3.8054  1669.71    108.237  1664.30    155.237  1674.82    150.991  116.936 5.4712  117.317 5.3043  -0.3804779     7.620329 
1 1 1 -9  -13 39 o 316.647 7.6338  12249.62   586.515  11665.83   1001.66  12554.21   723.521  306.766 13.457  320.014 9.3179  -13.24841      16.36805 
1 1 1 -9  -13 40 o 183.925 4.5017  4115.62    200.899  3912.49    287.882  4308.45    280.490  179.037 6.6269  187.957 6.1503  -8.920135      9.041097 
1 1 1 -9  -13 41 o 101.492 3.6353  1252.38    89.523   1256.21    128.511  1248.76    124.781  101.395 5.2414  101.112 5.1025  0.2830658      7.314919 
1 1 1 -9  -13 42 o 61.214  3.6903  457.439    54.556   419.325    77.259   495.346    77.050   58.363  5.5212  63.546  5.0384  -5.182789      7.474586 
1 1 1 -9  -13 43 o 147.332 4.1094  2643.54    146.906  2611.61    211.023  2673.57    204.638  146.133 5.9514  147.905 5.7022  -1.771790      8.242164 
1 1 1 -9  -13 44 o 53.815  3.8754  354.543    50.265   307.472    70.158   404.188    72.051   49.771  5.9260  57.278  5.2424  -7.507130      7.912018 
1 1 1 -9  -13 45 o 18.921  6.3903  40.997     34.832   63.127     43.511   1.5057     58.124   22.726  7.1059  17.952  7.6333  4.773930       10.42885 
1 1 1 -9  -13 46 o 38.120  4.6337  180.133    41.978   196.241    55.139   157.925    64.742   39.564  5.9262  35.055  7.8114  4.508724       9.804937 
1 1 1 -9  -13 47 o 110.652 5.0557  1499.55    135.738  1514.03    178.586  1479.74    208.880  110.605 6.6858  108.895 7.9606  1.710503       10.39575 
1 1 1 -9  -13 48 o 70.082  4.7637  603.964    80.525   644.746    102.664  538.760    129.814  72.166  5.9150  65.238  8.3957  6.928238       10.27010 
1 1 1 -9  -13 49 o 88.564  4.0578  958.155    87.198   868.906    133.151  1025.17    115.383  83.618  6.6167  91.257  5.2327  -7.639290      8.435770 
1 1 1 -9  -13 50 o 83.629  3.9546  854.330    80.246   834.870    110.659  875.914    116.540  82.212  5.5804  84.175  5.7402  -1.962685      8.005664 
1 1 1 -9  -13 51 o 93.377  3.9327  1065.49    89.103   1052.02    123.495  1080.11    128.686  92.300  5.5398  93.480  5.7007  -1.180252      7.949078 
1 1 1 -9  -13 52 o 88.894  3.9199  966.165    84.549   1117.15    120.414  819.341    118.744  95.162  5.2351  81.210  6.0700  13.95185       8.015681 
1 1 1 -9  -13 53 o 33.792  8.5008  149.538    69.638   -23.5443   152.954  194.797    78.215   26.966  11.911  38.583  8.5770  -11.61620      14.67776 
1 1 1 -9  -13 54 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -9  -13 55 o 52.317  5.9525  344.029    74.217   344.029    74.217   0.0000     0.0000   52.317  5.9525  ?       ?       0.000000       5.952482 
1 1 1 -9  -13 56 o 93.442  3.9089  1071.21    88.626   1078.42    127.320  1064.43    123.441  93.028  5.6676  92.481  5.5263  0.5475006      7.915887 
1 1 1 -9  -13 57 f 27.525  6.1310  98.175     39.898   126.110    53.951   64.459     59.271   31.004  7.2936  23.599  8.3202  7.405025       11.06446 
1 1 1 -9  -13 58 o 53.305  4.2110  351.904    54.022   342.473    75.115   362.009    77.750   52.019  6.0650  53.487  6.1000  -1.468105      8.602009 
1 1 1 -9  -13 59 o 81.985  4.2353  830.010    83.964   773.599    118.102  887.665    119.396  78.330  6.2664  84.119  5.8868  -5.789101      8.597759 
1 1 1 -9  -13 60 o 33.474  5.9814  143.893    46.800   129.471    57.480   172.252    80.605   31.310  7.6348  35.752  9.2287  -4.442478      11.97747 
1 1 1 -9  -13 61 o 24.619  10.195  34.660     99.552   0.0000     0.0000   34.660     99.552   ?       ?       24.619  10.195  0.000000       10.19536 
1 1 1 -9  -13 62 o 16.715  8.0047  -116.6158  92.585   0.0000     0.0000   -116.6158  92.585   ?       ?       16.715  8.0047  0.000000       8.004686 
1 1 1 -9  -13 63 o 22.252  8.6355  45.546     66.713   -28.9976   127.784  73.476     78.218   23.848  10.688  25.663  9.4878  -1.814890      14.29133 
1 1 1 -9  -12 1  o 433.244 17.488  22984.59   1838.35  0.0000     0.0000   22984.59   1838.35  ?       ?       433.244 17.488  0.000000       17.48764 
1 1 1 -9  -12 2  o 305.927 9.0213  11380.84   669.655  0.0000     0.0000   11380.84   669.655  ?       ?       305.927 9.0213  0.000000       9.021297 
1 1 1 -9  -12 3  o 334.874 9.7309  13639.67   790.673  0.0000     0.0000   13639.67   790.673  ?       ?       334.874 9.7309  0.000000       9.730875 
1 1 1 -9  -12 4  o 329.146 6.7358  13158.93   537.948  14297.53   766.959  12056.35   754.735  342.916 9.2177  314.843 9.8795  28.07275       13.51186 
1 1 1 -9  -12 5  o 73.424  3.0414  654.193    54.185   840.054    80.528   500.426    73.246   83.196  3.9892  64.031  4.7483  19.16470       6.201560 
1 1 1 -9  -12 6  o 219.805 4.9188  5864.95    262.336  6267.92    376.514  5484.76    365.720  227.168 6.8308  212.493 7.0932  14.67493       9.847462 
1 1 1 -9  -12 7  o 419.852 8.4448  21422.47   860.303  21432.59   1222.44  21412.53   1210.95  419.585 12.007  419.401 11.900  0.1835327      16.90483 
1 1 1 -9  -12 8  o 919.358 17.837  103315.40  3978.89  104637.80  5632.96  101998.70  5621.07  921.802 25.185  909.956 25.459  11.84613       35.81065 
1 1 1 -9  -12 9  o 836.829 16.333  85491.18   3316.41  84326.22   4696.12  86650.19   4684.11  828.414 23.363  839.922 22.984  -11.50891      32.77329 
1 1 1 -9  -12 10 o 449.091 12.896  24563.50   1405.20  23014.96   2000.46  26071.80   1974.31  433.720 19.009  461.899 17.616  -28.17914      25.91635 
1 1 1 -9  -12 11 o 450.568 12.901  24725.44   1410.44  23551.23   2008.34  25868.21   1981.27  438.772 18.864  460.067 17.748  -21.29520      25.90090 
1 1 1 -9  -12 12 o 841.848 23.535  87099.50   4807.33  83562.70   6812.81  90606.91   6784.46  818.693 34.296  853.507 32.760  -34.81433      47.42807 
1 1 1 -9  -12 13 o 907.367 25.281  101397.30  5566.08  99043.24   7886.58  103733.50  7856.74  889.579 36.538  911.153 35.538  -21.57410      50.96971 
1 1 1 -9  -12 14 o 417.641 8.4197  21197.17   853.225  21627.38   1212.61  20775.35   1200.76  421.506 11.856  413.105 11.979  8.400696       16.85464 
1 1 1 -9  -12 15 o 208.607 5.5283  5283.45    279.823  5343.64    499.859  5255.98    337.696  209.623 9.8275  208.028 6.6902  1.595047       11.88861 
1 1 1 -9  -12 16 o 59.808  3.1230  435.247    45.163   433.371    63.911   437.119    63.829   59.586  4.4526  59.847  4.4270  -0.2604942     6.278868 
1 1 1 -9  -12 17 o 319.970 6.6132  12434.89   513.437  12449.61   728.190  12420.35   724.047  319.976 9.3791  319.603 9.3367  0.3729553      13.23410 
1 1 1 -9  -12 18 o 341.178 7.0483  14140.89   583.487  13894.38   827.230  14384.97   823.135  337.954 10.088  343.889 9.8648  -5.935120      14.10966 
1 1 1 -9  -12 19 o 318.491 6.7465  12322.28   521.362  12162.26   739.413  12480.50   735.238  316.203 9.6373  320.329 9.4595  -4.125702      13.50408 
1 1 1 -9  -12 20 o 436.610 8.8779  23182.88   940.524  23036.73   1332.50  23327.98   1327.72  434.696 12.633  437.456 12.509  -2.760193      17.77821 
1 1 1 -9  -12 21 o 152.069 3.9695  2807.01    146.467  2907.31    208.534  2709.35    205.766  154.724 5.5546  149.360 5.6777  5.363846       7.942973 
1 1 1 -9  -12 22 o 324.931 6.6995  12830.53   528.198  12428.63   749.300  13227.50   744.691  319.512 9.6651  329.662 9.3099  -10.15012      13.41964 
1 1 1 -9  -12 23 o 383.813 7.7891  17918.77   725.391  17708.30   1028.38  18127.20   1023.36  381.035 11.123  385.549 10.939  -4.513947      15.60086 
1 1 1 -9  -12 24 o 202.112 4.7150  4961.32    231.225  4827.47    328.803  5092.28    325.230  199.248 6.8011  204.657 6.5494  -5.409027      9.441859 
1 1 1 -9  -12 25 o 166.512 4.1686  3367.12    168.424  3404.00    239.877  3331.27    236.533  167.337 5.9079  165.540 5.8887  1.796112       8.341508 
1 1 1 -9  -12 26 o 102.358 3.4518  1272.09    85.729   1333.42    122.340  1212.93    120.167  104.757 4.8130  99.908  4.9570  4.849663       6.909242 
1 1 1 -9  -12 27 o 151.749 5.5215  2800.03    203.304  2469.99    276.711  3187.16    299.692  142.119 8.0575  161.733 7.6368  -19.61391      11.10151 
1 1 1 -9  -12 28 o 156.695 5.6755  2986.53    215.788  2871.02    294.080  3121.26    317.618  153.244 7.9361  159.756 8.2216  -6.512344      11.42706 
1 1 1 -9  -12 29 o 140.737 5.3481  2408.71    182.631  2148.38    247.294  2721.04    270.873  132.521 7.7241  149.226 7.5049  -16.70450      10.76966 
1 1 1 -9  -12 30 o 329.228 6.7963  13200.13   542.917  13733.38   770.906  12675.38   764.732  335.213 9.4780  321.963 9.7890  13.24979       13.62562 
1 1 1 -9  -12 31 o 160.671 4.2192  3136.46    164.486  3310.70    235.172  2969.60    230.146  164.962 5.8754  156.218 6.0717  8.743912       8.449031 
1 1 1 -9  -12 32 o 153.091 4.0370  2847.14    149.960  2944.82    214.482  2753.73    209.750  155.594 5.6811  150.456 5.7455  5.137482       8.079975 
1 1 1 -9  -12 33 o 216.851 5.1035  5717.27    268.530  5981.96    382.337  5459.61    377.232  221.590 7.1110  211.665 7.3451  9.925079       10.22334 
1 1 1 -9  -12 34 o 126.688 3.7719  1949.50    115.946  2054.04    165.828  1849.52    162.177  129.966 5.2585  123.317 5.4200  6.648865       7.551728 
1 1 1 -9  -12 35 o 35.876  7.4964  162.749    63.152   219.969    111.383  135.639    76.667   41.610  10.901  32.868  9.2323  8.742420       14.28542 
1 1 1 -9  -12 36 o 51.901  6.1870  332.562    76.380   211.625    131.987  393.455    93.655   41.218  12.279  56.396  6.9943  -15.17774      14.13092 
1 1 1 -9  -12 37 o 192.524 6.8745  4517.66    321.137  4335.40    485.280  4659.66    428.344  187.691 10.700  195.197 9.0439  -7.506744      14.01015 
1 1 1 -9  -12 38 f 125.542 3.8450  1915.14    117.124  1856.55    167.801  1970.81    163.558  123.497 5.5998  127.263 5.2967  -3.766319      7.707996 
1 1 1 -9  -12 39 o 71.372  3.7178  620.703    64.160   627.831    90.896   613.625    90.578   71.626  5.2671  70.801  5.3112  0.8246841      7.480031 
1 1 1 -9  -12 40 o 28.987  5.5163  105.758    37.382   112.801    52.246   98.370     53.507   29.794  7.2873  27.926  7.6642  1.867971       10.57567 
1 1 1 -9  -12 41 o 76.030  3.5561  702.772    65.603   691.149    93.808   713.898    91.779   75.135  5.1771  76.393  4.9786  -1.257706      7.182528 
1 1 1 -9  -12 42 o 136.376 4.0345  2263.54    133.504  2210.98    190.893  2313.86    186.781  134.548 5.8472  137.682 5.5910  -3.133896      8.090063 
1 1 1 -9  -12 43 o 131.642 4.4073  2111.82    140.777  2029.45    227.452  2162.97    179.233  128.345 7.3342  133.054 5.5517  -4.708557      9.198464 
1 1 1 -9  -12 44 o 159.404 4.3164  3098.02    166.951  3016.83    238.097  3176.55    234.160  156.876 6.2551  161.044 5.9925  -4.167664      8.662319 
1 1 1 -9  -12 45 f 10.770  4.9017  -17.6486   28.127   7.3950     34.533   -67.0046   48.480   14.562  6.0155  12.124  5.8025  2.437361       8.357956 
1 1 1 -9  -12 46 o 70.854  3.8009  613.793    65.107   586.282    90.159   643.773    94.117   68.964  5.4320  72.291  5.4048  -3.327148      7.662743 
1 1 1 -9  -12 47 o 45.617  5.2388  258.273    56.934   226.436    69.684   322.195    98.741   42.279  7.0403  50.255  8.3936  -7.975777      10.95534 
1 1 1 -9  -12 48 o 35.620  6.0893  160.393    50.738   182.699    62.020   115.254    88.226   37.866  7.0084  30.758  10.166  7.108196       12.34796 
1 1 1 -9  -12 49 o 65.310  4.0015  522.849    63.106   499.712    85.619   550.366    93.375   63.525  5.6125  66.638  5.8337  -3.112911      8.095161 
1 1 1 -9  -12 50 f 121.593 4.0249  1806.47    118.748  1775.11    169.588  1836.63    166.329  120.071 5.8210  122.197 5.6097  -2.126945      8.084090 
1 1 1 -9  -12 51 o 76.815  3.8796  722.713    72.075   680.107    99.993   768.789    103.985  74.126  5.6008  78.871  5.4674  -4.744881      7.826972 
1 1 1 -9  -12 52 o 71.879  3.9179  633.572    68.075   604.517    95.462   663.635    97.103   69.794  5.6864  73.197  5.5077  -3.402702      7.916431 
1 1 1 -9  -12 53 o 41.932  14.141  231.847    170.552  231.847    170.552  0.0000     0.0000   41.932  14.141  ?       ?       0.000000       14.14051 
1 1 1 -9  -12 54 o 70.072  13.016  673.165    213.153  673.165    213.153  0.0000     0.0000   70.072  13.016  ?       ?       0.000000       13.01580 
1 1 1 -9  -12 55 o 26.446  6.2818  90.498     39.712   101.382    53.413   77.047     59.381   27.902  7.6575  25.099  8.3426  2.802832       11.32414 
1 1 1 -9  -12 56 o 47.958  4.3380  285.130    49.933   304.288    69.780   265.026    71.481   49.102  5.9805  45.564  6.6624  3.537262       8.952833 
1 1 1 -9  -12 57 o 20.373  6.4993  51.326     36.236   70.574     48.155   26.199     55.019   23.671  7.4861  19.325  7.7355  4.345657       10.76478 
1 1 1 -9  -12 58 o 29.851  5.7154  114.482    39.890   149.022    55.501   77.576     57.371   33.798  6.9983  24.938  8.1960  8.859856       10.77728 
1 1 1 -9  -12 59 o 72.639  4.2494  651.958    74.570   611.075    101.993  698.911    109.302  69.652  6.0964  74.521  6.0983  -4.869087      8.622950 
1 1 1 -9  -12 60 o 19.989  6.5365  48.710     36.508   68.287     42.366   -7.7578    71.954   23.117  6.9725  18.932  8.2715  4.184587       10.81823 
1 1 1 -9  -12 61 o 50.296  11.187  349.485    132.992  0.0000     0.0000   349.485    132.992  ?       ?       50.296  11.187  0.000000       11.18657 
1 1 1 -9  -12 62 o 45.781  5.4239  264.138    59.080   286.055    67.283   190.341    123.465  47.487  5.9715  37.230  12.010  10.25657       13.41228 
1 1 1 -9  -12 63 o 33.659  5.4255  144.527    42.804   136.415    51.346   163.010    77.503   32.288  6.7702  34.684  9.0966  -2.396465      11.33948 
1 1 1 -9  -11 1  o 687.363 27.262  58472.35   4546.75  0.0000     0.0000   58472.35   4546.75  ?       ?       687.363 27.262  0.000000       27.26157 
1 1 1 -9  -11 2  o 557.342 22.148  38159.53   2995.15  0.0000     0.0000   38159.53   2995.15  ?       ?       557.342 22.148  0.000000       22.14791 
1 1 1 -9  -11 3  o 110.663 3.8776  1486.27    104.118  1796.27    190.611  1354.44    124.300  121.444 6.4921  105.630 4.8498  15.81377       8.103532 
1 1 1 -9  -11 4  o 199.543 4.6280  4833.12    224.077  4985.77    322.808  4691.17    311.290  202.617 6.5661  196.541 6.5275  6.076050       9.258614 
1 1 1 -9  -11 5  o 551.759 10.985  37038.56   1470.64  34956.17   2086.15  39095.75   2073.49  535.170 16.065  566.170 15.094  -31.00037      22.04338 
1 1 1 -9  -11 6  o 222.632 5.0197  6016.70    271.164  5941.12    389.054  6088.09    378.145  221.160 7.2500  223.889 6.9608  -2.729233      10.05069 
1 1 1 -9  -11 7  o 288.381 6.0520  10097.79   423.474  10957.34   604.762  9270.87    593.171  300.294 8.2999  276.190 8.8513  24.10416       12.13402 
1 1 1 -9  -11 8  o 310.095 6.5348  11677.20   491.690  11083.86   701.101  12251.48   689.747  301.948 9.5694  317.495 8.9534  -15.54666      13.10485 
1 1 1 -9  -11 9  o 434.058 8.8176  22897.33   928.670  20784.35   1319.02  24974.26   1307.73  413.106 13.159  452.994 11.898  -39.88809      17.74022 
1 1 1 -9  -11 10 o 212.184 4.8708  5465.01    250.774  5253.07    359.817  5665.19    349.695  207.966 7.1306  215.985 6.6727  -8.018936      9.765748 
1 1 1 -9  -11 11 o 444.640 12.978  24075.96   1400.22  20964.01   1994.56  27099.93   1966.16  413.869 19.862  471.069 17.202  -57.20050      26.27528 
1 1 1 -9  -11 12 o 314.650 9.5430  12035.89   728.579  10616.24   1044.60  13380.71   1016.70  295.109 14.588  331.508 12.640  -36.39938      19.30226 
1 1 1 -9  -11 13 o 281.847 8.6021  9653.56    588.278  9247.57    846.363  10033.03   818.250  275.588 12.657  287.125 11.745  -11.53751      17.26685 
1 1 1 -9  -11 14 f 232.286 5.1592  6550.08    290.785  6078.85    412.910  7013.73    409.576  223.695 7.6074  240.305 7.0244  -16.60988      10.35444 
1 1 1 -9  -11 15 o 546.138 10.873  36285.57   1440.85  36899.50   2039.84  35674.26   2035.50  550.001 15.285  540.748 15.514  9.252563       21.77858 
1 1 1 -9  -11 16 o 194.572 4.5726  4595.29    215.879  4650.88    306.800  4540.78    303.820  195.697 6.4611  193.366 6.4755  2.330734       9.147553 
1 1 1 -9  -11 17 o 93.848  3.3102  1068.82    75.379   1081.76    107.035  1056.08    106.174  94.402  4.6728  93.155  4.7126  1.247147       6.636576 
1 1 1 -9  -11 18 o 571.313 11.281  39727.98   1563.86  38696.64   2213.94  40755.04   2209.34  562.875 16.210  577.757 15.760  -14.88251      22.60854 
1 1 1 -9  -11 19 o 704.135 13.781  60460.55   2354.46  59276.87   3332.11  61640.81   3327.29  695.336 19.750  709.220 19.335  -13.88330      27.63869 
1 1 1 -9  -11 20 o 408.889 8.3360  20324.38   827.037  20481.08   1171.74  20168.82   1167.48  410.052 11.777  406.908 11.825  3.144501       16.68887 
1 1 1 -9  -11 21 o 85.138  3.3731  879.711    69.681   798.803    99.293   958.223    97.812   80.951  5.0809  88.726  4.5587  -7.775131      6.826249 
1 1 1 -9  -11 22 o 263.176 5.7347  8412.61    366.200  8558.97    519.861  8268.46    515.932  265.304 8.0757  260.757 8.1544  4.547394       11.47656 
1 1 1 -9  -11 23 o 200.375 4.7363  4875.46    230.277  4727.50    327.334  5020.43    324.013  197.213 6.8405  203.246 6.5702  -6.032959      9.484730 
1 1 1 -9  -11 24 o 265.037 5.6593  8535.08    363.944  8694.47    516.676  8378.12    512.736  267.301 7.9662  262.385 8.0536  4.916656       11.32792 
1 1 1 -9  -11 25 o 54.774  3.5702  365.789    47.190   388.833    68.396   344.852    65.193   56.347  5.0564  53.030  5.1307  3.317520       7.203581 
1 1 1 -9  -11 26 o 228.122 5.1715  6324.28    286.252  6413.78    407.085  6236.75    402.596  229.534 7.3093  226.342 7.3306  3.192200       10.35195 
1 1 1 -9  -11 27 o 377.836 10.948  17470.03   1003.68  17464.66   1405.78  17475.61   1433.47  376.197 15.401  376.189 15.704  0.8697510E-02  21.99553 
1 1 1 -9  -11 28 o 75.793  4.7084  700.838    86.161   549.620    112.694  913.602    133.674  66.808  7.0589  86.401  6.4221  -19.59333      9.543131 
1 1 1 -9  -11 29 o 529.239 15.001  34609.66   1926.34  34343.09   2709.54  34882.10   2739.23  522.330 21.379  526.351 21.448  -4.021179      30.28335 
1 1 1 -9  -11 30 o 204.207 4.7443  5068.36    235.075  5242.90    334.909  4898.86    330.038  207.510 6.6516  200.572 6.7816  6.938232       9.499095 
1 1 1 -9  -11 31 o 258.257 5.7230  8112.97    358.621  8338.58    509.909  7892.15    504.469  261.489 8.0367  254.370 8.1734  7.118561       11.46267 
1 1 1 -9  -11 32 f 23.797  5.9152  71.616     34.007   32.892     48.294   109.701    47.894   19.546  7.4072  29.429  6.8376  -9.883518      10.08063 
1 1 1 -9  -11 33 o 119.039 3.7214  1721.08    107.489  1585.78    153.433  1851.49    150.630  114.186 5.5379  123.409 5.0304  -9.222992      7.481506 
1 1 1 -9  -11 34 o 204.646 4.8840  5091.02    242.518  4977.46    345.740  5201.02    340.269  202.133 7.0493  206.654 6.7860  -4.520645      9.784854 
1 1 1 -9  -11 35 o 93.881  5.4974  1075.73    124.682  740.093    200.914  1285.95    159.004  76.932  11.083  102.572 6.4211  -25.63990      12.80860 
1 1 1 -9  -11 36 o 189.889 6.6301  4392.09    305.481  4805.09    460.692  4068.00    408.103  198.187 9.5802  182.173 9.2630  16.01331       13.32603 
1 1 1 -9  -11 37 o 168.341 6.3683  3451.72    260.123  3413.30    398.411  3480.26    343.422  166.651 9.8972  168.791 8.3852  -2.140335      12.97180 
1 1 1 -9  -11 38 o 252.621 5.6256  7768.70    344.826  7849.77    491.662  7690.22    483.749  253.497 7.9933  250.918 7.9455  2.579193       11.27055 
1 1 1 -9  -11 39 o 407.322 8.4286  20302.15   833.026  20809.25   1183.47  19804.18   1172.76  410.650 11.877  400.500 12.068  10.14899       16.93262 
1 1 1 -9  -11 40 o 223.839 5.2279  6102.17    283.940  6201.73    404.917  6005.85    398.268  225.220 7.4096  221.635 7.4058  3.584579       10.47608 
1 1 1 -9  -11 41 o 223.583 5.2441  6092.83    284.495  6017.31    406.076  6165.64    398.698  221.646 7.5506  224.425 7.3217  -2.778976      10.51754 
1 1 1 -9  -11 42 o 86.295  3.7826  906.019    79.202   920.894    110.894  890.530    113.159  86.723  5.2954  85.245  5.5002  1.477982       7.635004 
1 1 1 -9  -11 43 o 105.039 4.2095  1344.10    107.287  1443.64    167.906  1275.43    139.473  108.380 6.4134  101.998 5.6577  6.381966       8.552316 
1 1 1 -9  -11 44 o 139.673 4.0572  2377.35    137.501  2286.65    196.137  2465.00    192.816  136.643 5.9157  141.941 5.5985  -5.298157      8.144900 
1 1 1 -9  -11 45 o 67.060  3.8998  549.972    63.181   506.501    86.225   600.376    92.846   64.067  5.6030  69.807  5.5267  -5.740059      7.870075 
1 1 1 -9  -11 46 o 112.921 3.8831  1554.99    106.395  1571.69    150.589  1538.34    150.343  113.237 5.4808  112.018 5.5313  1.218323       7.786804 
1 1 1 -9  -11 47 o 36.932  5.7339  171.314    49.716   169.247    60.881   175.450    86.133   36.402  7.1479  36.729  9.5689  -0.3274460     11.94389 
1 1 1 -9  -11 48 o 21.960  6.8192  59.389     40.149   31.280     48.031   124.580    73.145   19.173  7.3578  31.201  9.1001  -12.02787      11.70258 
1 1 1 -9  -11 49 o 40.089  4.6032  199.211    43.964   196.123    60.298   202.715    64.240   39.360  6.5434  39.952  6.8746  -0.5922432     9.490868 
1 1 1 -9  -11 50 o 61.747  4.2907  468.503    63.886   451.408    92.340   484.198    88.481   60.130  6.4286  62.430  5.9115  -2.299793      8.733457 
1 1 1 -9  -11 51 o 89.762  3.9301  984.670    85.597   981.277    118.634  988.354    123.624  89.132  5.5125  89.391  5.7298  -0.2587662     7.950960 
1 1 1 -9  -11 52 o 51.727  13.677  368.605    174.280  368.605    174.280  0.0000     0.0000   51.727  13.677  ?       ?       0.000000       13.67689 
1 1 1 -9  -11 53 o 51.521  13.854  369.849    176.955  369.849    176.955  0.0000     0.0000   51.521  13.854  ?       ?       0.000000       13.85449 
1 1 1 -9  -11 54 o 50.818  4.6739  320.174    56.985   346.036    70.612   271.873    96.499   52.605  5.6190  45.471  9.0644  7.134277       10.66478 
1 1 1 -9  -11 55 f 80.105  3.8251  786.343    74.347   835.879    105.573  737.605    104.719  82.042  5.3323  76.938  5.6489  5.103699       7.768144 
1 1 1 -9  -11 56 o 61.651  4.1283  469.014    61.398   473.032    87.191   465.062    86.474   61.376  5.9285  60.851  5.9321  0.5253220      8.386731 
1 1 1 -9  -11 57 o 15.859  6.2087  19.652     34.718   78.994     46.163   -57.6206   52.678   24.736  7.2336  13.202  6.2400  11.53465       9.553128 
1 1 1 -9  -11 58 o 26.646  6.0921  92.128     38.530   70.430     52.808   116.829    56.343   23.861  7.8643  29.758  7.7326  -5.897215      11.02908 
1 1 1 -9  -11 59 o 50.479  4.6299  317.110    56.076   308.082    70.886   332.210    91.671   49.316  6.0508  50.609  7.7087  -1.292942      9.799778 
1 1 1 -9  -11 60 o 50.423  7.3579  327.824    87.370   0.0000     0.0000   327.824    87.370   ?       ?       50.423  7.3579  0.000000       7.357872 
1 1 1 -9  -11 61 o 68.613  5.0623  586.289    83.685   582.509    99.131   595.664    156.112  68.011  6.0709  66.837  9.9278  1.173882       11.63694 
1 1 1 -9  -11 62 o 27.561  6.4501  99.151     42.371   119.013    46.160   -7.1432    106.784  30.229  6.4875  22.899  10.039  7.329245       11.95267 
1 1 1 -9  -11 63 o 31.755  5.7141  129.683    42.408   137.787    50.050   109.054    79.852   32.499  6.5729  29.045  9.6753  3.453720       11.69676 
1 1 1 -9  -10 1  o 371.316 15.158  16821.88   1365.71  0.0000     0.0000   16821.88   1365.71  ?       ?       371.316 15.158  0.000000       15.15832 
1 1 1 -9  -10 2  o 362.558 14.823  16030.47   1304.04  0.0000     0.0000   16030.47   1304.04  ?       ?       362.558 14.823  0.000000       14.82342 
1 1 1 -9  -10 3  o 83.694  4.4912  852.660    90.872   775.860    133.688  918.620    123.895  79.620  6.9908  86.780  5.9193  -7.160492      9.160210 
1 1 1 -9  -10 4  o 374.300 7.5282  17018.70   683.714  18670.02   973.498  15411.28   960.469  391.826 10.239  355.917 11.122  35.90936       15.11750 
1 1 1 -9  -10 5  o 544.755 10.796  36095.75   1427.01  34780.05   2024.69  37394.47   2011.57  533.983 15.627  553.812 14.970  -19.82874      21.63980 
1 1 1 -9  -10 6  o 136.752 3.7169  2269.51    123.333  2492.21    179.378  2069.84    169.852  143.285 5.1595  130.577 5.3609  12.70801       7.440413 
1 1 1 -9  -10 7  o 145.084 3.8525  2554.53    135.619  2538.28    196.487  2569.31    187.423  144.596 5.6004  145.482 5.3095  -0.8861084     7.717143 
1 1 1 -9  -10 8  o 722.107 14.216  63537.49   2490.79  60666.40   3528.37  66389.60   3516.69  703.903 20.658  736.671 19.674  -32.76776      28.52793 
1 1 1 -9  -10 9  f 197.934 4.6057  4755.26    221.199  5205.94    317.809  4331.80    308.064  207.059 6.3257  188.867 6.7223  18.19272       9.230606 
1 1 1 -9  -10 10 o 202.329 4.7235  4968.89    231.893  4844.27    333.002  5086.22    323.115  199.722 6.8716  204.660 6.5067  -4.937485      9.463383 
1 1 1 -9  -10 11 o 726.000 20.468  64524.13   3605.61  60098.97   5114.78  68895.45   5083.56  696.972 30.245  747.257 28.037  -50.28497      41.24093 
1 1 1 -9  -10 12 f 140.392 5.5665  2392.83    189.623  1943.67    280.630  2770.21    257.229  126.121 9.2345  151.028 7.0194  -24.90694      11.59948 
1 1 1 -9  -10 13 o 120.703 5.0974  1768.55    149.291  1916.95    223.740  1649.45    200.435  125.409 7.3854  116.318 7.1362  9.090981       10.26982 
1 1 1 -9  -10 14 o 555.998 11.026  37605.16   1487.49  38364.24   2105.77  36849.16   2101.49  560.853 15.474  549.613 15.758  11.23993       22.08528 
1 1 1 -9  -10 15 o 352.783 7.1056  15116.20   608.236  14978.07   861.985  15253.18   858.377  350.963 10.122  354.182 9.9882  -3.219177      14.22052 
1 1 1 -9  -10 16 o 88.473  3.3079  949.866    71.010   1020.96    100.701  879.553    100.148  91.714  4.5252  84.983  4.8772  6.731010       6.653157 
1 1 1 -9  -10 17 o 355.442 7.2665  15346.69   626.699  14978.89   888.118  15711.45   884.465  350.924 10.430  359.428 10.142  -8.503998      14.54787 
1 1 1 -9  -10 18 o 385.402 7.9622  18048.50   744.582  17839.71   1054.87  18255.81   1051.13  382.858 11.355  387.315 11.185  -4.457458      15.93874 
1 1 1 -9  -10 19 o 170.565 4.3265  3531.21    179.058  3710.18    254.568  3355.96    251.904  174.794 6.0022  166.235 6.2453  8.559814       8.661978 
1 1 1 -9  -10 20 o 536.583 10.797  35043.87   1405.73  34539.59   1989.96  35546.17   1986.05  531.816 15.421  539.567 15.170  -7.750977      21.63187 
1 1 1 -9  -10 21 o 172.638 4.2656  3617.81    178.683  3722.94    253.843  3514.57    251.564  175.082 5.9753  170.108 6.0948  4.973862       8.535264 
1 1 1 -9  -10 22 o 160.625 4.2051  3131.98    163.890  3199.45    233.450  3066.40    230.137  162.298 5.9281  158.886 5.9695  3.411789       8.412932 
1 1 1 -9  -10 23 f 121.905 3.6391  1803.85    107.641  1893.39    153.373  1716.95    151.107  124.863 5.0623  118.899 5.2377  5.964333       7.284291 
1 1 1 -9  -10 24 o 55.538  3.6206  376.025    48.524   422.284    69.770   332.688    67.530   58.758  4.9395  52.050  5.4269  6.707943       7.338266 
1 1 1 -9  -10 25 o 140.719 3.9328  2404.38    134.281  2583.75    191.521  2230.93    188.324  145.820 5.4130  135.485 5.7286  10.33420       7.881446 
1 1 1 -9  -10 26 o 173.540 4.2519  3657.87    179.038  3740.75    254.961  3577.25    251.471  175.397 5.9908  171.518 6.0425  3.879364       8.508908 
1 1 1 -9  -10 27 o 154.398 5.6750  2898.77    212.604  2790.94    288.546  3026.85    314.457  151.133 7.8959  157.356 8.2649  -6.222717      11.43038 
1 1 1 -9  -10 28 o 217.429 7.0829  5757.97    373.672  6002.76    514.914  5485.63    543.118  221.645 9.5744  211.718 10.572  9.927261       14.26339 
1 1 1 -9  -10 29 o 430.055 12.422  22719.19   1296.22  23256.64   1817.73  22163.13   1848.93  432.592 17.318  421.859 18.063  10.73346       25.02340 
1 1 1 -9  -10 30 o 163.518 4.1915  3248.44    166.304  3174.45    236.613  3320.68    233.790  161.522 6.0373  165.217 5.8319  -3.694489      8.394027 
1 1 1 -9  -10 31 o 142.156 4.0106  2454.81    138.337  2592.50    197.346  2321.78    193.975  146.002 5.5707  138.155 5.7865  7.846573       8.032166 
1 1 1 -9  -10 32 o 131.953 3.8737  2114.91    124.023  2166.34    176.825  2065.10    174.000  133.469 5.4601  130.311 5.5031  3.158508       7.752179 
1 1 1 -9  -10 33 o 194.179 4.7625  4582.83    224.388  4602.15    319.592  4564.05    315.120  194.406 6.7752  193.607 6.7080  0.7993164      9.534158 
1 1 1 -9  -10 34 o 273.379 6.0113  9094.22    398.748  8988.32    567.130  9197.75    560.753  271.357 8.6135  274.537 8.4180  -3.180756      12.04383 
1 1 1 -9  -10 35 o 185.103 6.5181  4172.05    292.750  4661.72    444.623  3797.31    388.960  195.283 9.3835  176.054 9.1367  19.22960       13.09692 
1 1 1 -9  -10 36 o 212.830 7.1694  5521.10    370.236  5790.81    555.689  5305.80    496.484  217.380 10.535  208.213 9.8273  9.167206       14.40722 
1 1 1 -9  -10 37 o 301.156 9.4548  11099.74   690.892  10475.27   1009.87  11649.19   947.270  290.935 14.306  307.447 12.698  -16.51187      19.12827 
1 1 1 -9  -10 38 o 53.994  4.2528  356.573    55.265   325.957    72.856   398.063    84.813   51.395  5.9524  56.821  6.2552  -5.425816      8.634764 
1 1 1 -9  -10 39 o 292.517 6.4289  10433.81   456.304  10365.79   649.233  10500.21   641.460  290.790 9.2015  292.725 9.0312  -1.934784      12.89299 
1 1 1 -9  -10 40 o 189.396 4.5340  4364.88    208.362  4173.24    297.065  4550.46    292.329  184.881 6.6221  193.124 6.2384  -8.243698      9.097778 
1 1 1 -9  -10 41 o 152.075 4.2038  2814.32    155.120  2720.26    220.919  2905.79    217.859  149.262 6.0998  154.312 5.8185  -5.050339      8.429874 
1 1 1 -9  -10 42 o 155.811 4.7653  2958.98    180.158  2803.67    294.352  3052.00    227.812  150.811 8.0732  158.040 5.9408  -7.228500      10.02349 
1 1 1 -9  -10 43 o 54.105  4.1591  358.697    54.183   408.337    71.690   292.562    82.748   57.602  5.1848  48.282  7.2904  9.320057       8.946107 
1 1 1 -9  -10 44 o 31.739  5.3922  126.547    40.041   139.739    51.231   105.838    64.189   33.172  6.5971  28.997  8.5441  4.175205       10.79464 
1 1 1 -9  -10 45 f 31.354  5.5630  123.926    40.772   84.366     53.529   178.593    62.925   25.999  7.8364  37.464  7.1836  -11.46504      10.63082 
1 1 1 -9  -10 46 o 32.308  5.1767  130.929    39.212   147.283    52.989   111.134    58.298   34.016  6.6584  29.450  7.9660  4.566084       10.38226 
1 1 1 -9  -10 47 o 101.119 5.0047  1252.23    122.793  1192.97    158.551  1341.04    194.107  98.119  6.6997  103.691 7.7716  -5.571953      10.26077 
1 1 1 -9  -10 48 o 43.232  5.3901  232.793    55.313   238.939    67.722   220.478    95.867   43.532  6.6201  41.070  9.7634  2.461735       11.79619 
1 1 1 -9  -10 49 o 93.879  3.8502  1075.84    87.704   1066.28    125.707  1084.92    122.423  92.981  5.5979  93.846  5.3991  -0.8647919     7.777353 
1 1 1 -9  -10 50 o 67.115  4.0859  552.520    66.222   467.255    89.208   657.180    98.835   61.273  6.0806  72.880  5.6328  -11.60676      8.288679 
1 1 1 -9  -10 51 o 78.769  3.9018  758.226    74.573   682.743    104.445  836.726    106.511  74.192  5.8493  82.314  5.3621  -8.122009      7.935115 
1 1 1 -9  -10 52 o 40.678  13.531  215.700    156.206  215.700    156.206  0.0000     0.0000   40.678  13.531  ?       ?       0.000000       13.53139 
1 1 1 -9  -10 53 o 41.476  13.701  228.874    160.253  228.874    160.253  0.0000     0.0000   41.476  13.701  ?       ?       0.000000       13.70119 
1 1 1 -9  -10 54 o 42.816  4.7257  228.200    48.277   241.506    65.507   212.381    71.425   43.631  6.3758  40.520  7.5422  3.110832       9.876045 
1 1 1 -9  -10 55 o 29.713  5.8807  113.307    40.898   120.376    53.768   103.603    62.999   30.345  7.3747  28.295  8.4953  2.050268       11.24973 
1 1 1 -9  -10 56 o 33.238  5.4545  140.373    42.463   109.727    56.982   178.645    63.677   28.915  7.8982  37.036  7.3453  -8.120840      10.78588 
1 1 1 -9  -10 57 o 26.115  6.4117  88.738     40.330   95.214     55.822   81.666     58.329   27.050  7.9672  25.483  8.2583  1.567385       11.47499 
1 1 1 -9  -10 58 o 49.744  5.4677  310.946    64.906   316.497    75.193   294.719    128.557  49.897  6.3549  46.002  11.538  3.895237       13.17204 
1 1 1 -9  -10 59 o 39.767  9.2012  212.350    87.022   0.0000     0.0000   212.350    87.022   ?       ?       39.767  9.2012  0.000000       9.201197 
1 1 1 -9  -10 60 o 22.664  8.9297  42.932     72.226   0.0000     0.0000   42.932     72.226   ?       ?       22.664  8.9297  0.000000       8.929749 
1 1 1 -9  -10 61 o 37.248  6.7335  179.455    58.616   179.455    58.616   0.0000     0.0000   37.248  6.7335  ?       ?       0.000000       6.733460 
1 1 1 -9  -10 62 o 26.542  6.1745  91.735     39.016   90.601     45.174   95.065     77.404   26.291  6.9688  27.673  9.5232  -1.381512      11.80070 
1 1 1 -9  -9  1  o 360.174 14.735  15816.95   1287.72  0.0000     0.0000   15816.95   1287.72  ?       ?       360.174 14.735  0.000000       14.73485 
1 1 1 -9  -9  2  o 161.857 5.7490  3180.66    225.779  3255.62    325.099  3110.81    313.802  163.485 8.2217  159.806 8.1195  3.678970       11.55519 
1 1 1 -9  -9  3  o 105.052 4.6559  1339.53    118.679  1522.36    171.486  1171.47    164.412  111.790 6.3483  97.966  6.9619  13.82318       9.421741 
1 1 1 -9  -9  4  o 606.539 13.714  44813.45   2018.32  46146.73   3501.88  44150.26   2469.80  613.093 23.540  601.400 16.925  11.69275       28.99319 
1 1 1 -9  -9  5  o 648.293 12.785  51166.78   2011.18  50480.55   2850.80  51846.74   2837.73  642.767 18.279  651.489 17.951  -8.721558      25.61974 
1 1 1 -9  -9  6  o 285.889 6.0898  9923.59    422.442  9759.14    603.072  10082.01   591.932  283.391 8.7704  288.056 8.4690  -4.665436      12.19194 
1 1 1 -9  -9  7  o 429.179 8.6839  22382.10   904.310  21599.72   1284.73  23150.39   1273.12  421.245 12.569  436.165 12.030  -14.91962      17.39837 
1 1 1 -9  -9  8  o 190.529 4.5248  4406.00    209.181  4214.19    297.649  4593.19    294.038  186.291 6.5849  194.497 6.2306  -8.205734      9.065348 
1 1 1 -9  -9  9  o 230.245 5.2515  6435.28    293.384  6136.71    416.681  6728.83    413.158  224.768 7.6402  235.377 7.2342  -10.60893      10.52167 
1 1 1 -9  -9  10 o 190.181 4.5156  4389.89    208.376  4217.85    296.117  4558.65    293.280  186.373 6.5481  193.764 6.2380  -7.391388      9.043819 
1 1 1 -9  -9  11 f 420.377 12.200  21506.62   1244.44  20068.20   1775.77  22894.78   1744.47  405.322 18.056  433.156 16.598  -27.83359      24.52577 
1 1 1 -9  -9  12 o 295.931 9.0216  10642.95   647.798  9868.55    931.716  11367.60   901.292  284.659 13.489  305.625 12.154  -20.96640      18.15709 
1 1 1 -9  -9  13 o 644.456 17.996  50735.00   2814.04  50053.65   3996.50  51404.97   3963.01  637.804 25.824  646.551 25.261  -8.747498      36.12528 
1 1 1 -9  -9  14 o 576.788 16.017  40584.37   2241.68  41728.61   3187.11  39464.07   3153.59  583.300 22.519  567.143 22.917  16.15729       32.12874 
1 1 1 -9  -9  15 o 102.124 3.3610  1265.61    83.283   1298.18    118.179  1233.48    117.386  103.418 4.7096  100.807 4.7991  2.610970       6.723954 
1 1 1 -9  -9  16 o 151.181 4.0061  2773.85    146.954  2851.46    208.573  2697.33    207.082  153.255 5.6089  149.053 5.7258  4.201706       8.015303 
1 1 1 -9  -9  17 o 375.579 7.7494  17137.04   706.209  17342.47   1000.23  16932.84   997.240  377.567 10.918  373.072 11.016  4.494995       15.51015 
1 1 1 -9  -9  18 o 723.486 14.180  63808.48   2489.18  62549.41   3521.71  65065.45   3518.76  714.515 20.313  728.889 19.896  -14.37378      28.43368 
1 1 1 -9  -9  19 o 158.116 4.2207  3034.46    161.929  3255.02    230.237  2818.56    227.788  163.729 5.7954  152.349 6.1621  11.38048       8.459211 
1 1 1 -9  -9  20 o 263.926 5.7872  8458.43    370.609  8350.47    525.351  8565.38    522.897  262.114 8.2603  265.474 8.1177  -3.359833      11.58140 
1 1 1 -9  -9  21 f 234.389 5.2040  6670.46    295.966  6778.12    419.771  6564.03    417.358  236.181 7.3249  232.417 7.4008  3.763824       10.41279 
1 1 1 -9  -9  22 o 157.193 4.2345  2999.56    161.509  3326.57    229.650  2679.54    227.186  165.500 5.7188  148.518 6.3043  16.98166       8.511683 
1 1 1 -9  -9  23 o 319.788 6.6903  12427.93   519.126  12397.36   735.583  12458.27   732.736  319.118 9.4998  319.908 9.4397  -0.7899170     13.39235 
1 1 1 -9  -9  24 o 244.292 5.4865  7250.06    325.211  7466.01    461.525  7037.09    458.327  247.743 7.6777  240.506 7.8539  7.236511       10.98319 
1 1 1 -9  -9  25 o 165.174 4.2283  3313.08    169.463  3429.92    240.906  3198.63    238.426  167.986 5.9103  162.215 6.0576  5.770325       8.463222 
1 1 1 -9  -9  26 o 146.597 3.9548  2609.79    140.672  2683.13    199.572  2537.37    198.314  148.573 5.5360  144.475 5.6571  4.097961       7.915221 
1 1 1 -9  -9  27 o 86.792  4.8882  918.323    102.523  1033.76    134.303  757.114    158.714  91.992  6.0507  78.346  8.4846  13.64558       10.42105 
1 1 1 -9  -9  28 o 155.667 5.7462  2947.41    217.042  2864.58    293.686  3047.09    322.175  153.085 7.9338  157.822 8.4438  -4.737534      11.58629 
1 1 1 -9  -9  29 o 275.516 8.3108  9260.49    555.592  8754.67    769.687  9810.78    802.811  267.118 11.875  282.818 11.699  -15.69992      16.66995 
1 1 1 -9  -9  30 o 171.452 4.3768  3571.75    182.082  3456.15    259.189  3684.39    255.848  168.515 6.3389  174.014 6.0595  -5.498962      8.769191 
1 1 1 -9  -9  31 o 237.489 5.3208  6857.84    306.612  6917.26    435.902  6799.66    431.363  238.249 7.5404  236.217 7.5261  2.031876       10.65358 
1 1 1 -9  -9  32 o 159.711 4.1854  3098.87    162.196  2981.25    231.026  3213.21    227.769  156.531 6.0827  162.529 5.7756  -5.998734      8.387921 
1 1 1 -9  -9  33 o 153.093 4.1754  2847.43    155.101  2893.83    221.146  2802.51    217.588  154.228 5.9095  151.775 5.9084  2.452972       8.356558 
1 1 1 -9  -9  34 o 9.2178  4.4732  -53.8767   31.302   -35.3231   39.402   -85.6176   51.537   12.067  5.6034  11.943  5.7820  0.1238155      8.051640 
1 1 1 -9  -9  35 o 176.520 6.5634  3794.28    281.117  3863.32    424.385  3740.31    375.253  177.434 9.8968  174.773 8.8780  2.661087       13.29530 
1 1 1 -9  -9  36 o 182.160 6.8852  4043.09    304.324  3489.82    457.660  4481.64    407.459  168.266 11.275  191.529 8.7677  -23.26305      14.28251 
1 1 1 -9  -9  37 o 312.025 9.7510  11922.84   738.250  11272.81   1076.54  12499.91   1014.32  301.611 14.710  318.281 13.134  -16.66940      19.72042 
1 1 1 -9  -9  38 o 222.180 5.1426  6006.32    277.239  5806.20    394.618  6201.36    389.580  218.099 7.4569  225.459 7.1214  -7.360001      10.31116 
1 1 1 -9  -9  39 o 304.903 6.7113  11342.78   496.515  11079.33   706.627  11599.71   697.813  300.421 9.6939  307.520 9.3519  -7.099121      13.46958 
1 1 1 -9  -9  40 o 372.831 7.7530  17015.58   701.371  17085.92   997.370  16946.76   986.495  371.893 11.053  370.421 10.976  1.471283       15.57669 
1 1 1 -9  -9  41 o 162.088 4.3463  3198.10    170.935  3006.49    243.644  3383.83    239.876  156.851 6.4018  166.487 5.9380  -9.636276      8.731769 
1 1 1 -9  -9  42 o 114.205 3.8931  1587.40    107.881  1523.26    152.448  1651.73    152.685  111.537 5.6514  116.324 5.4096  -4.786644      7.823176 
1 1 1 -9  -9  43 o 161.200 4.3628  3167.33    170.647  3210.64    244.867  3126.44    237.944  161.906 6.2331  159.792 6.1370  2.114059       8.747260 
1 1 1 -9  -9  44 o 123.721 3.9385  1865.20    118.233  1909.23    169.299  1823.29    165.191  124.897 5.5865  122.055 5.5778  2.841476       7.894364 
1 1 1 -9  -9  45 o 163.247 4.3845  3252.99    173.670  3305.88    249.510  3203.29    241.881  164.047 6.2684  161.512 6.1721  2.534943       8.797041 
1 1 1 -9  -9  46 o 123.417 3.9154  1857.92    117.250  1853.13    168.213  1862.45    163.521  122.903 5.6407  123.253 5.4678  -0.3500443     7.855862 
1 1 1 -9  -9  47 f 30.525  6.8178  119.438    49.222   93.184     59.045   179.246    89.117   27.237  8.2349  37.100  9.7661  -9.863468      12.77460 
1 1 1 -9  -9  48 o 42.209  5.5321  222.376    55.294   249.657    67.761   168.004    95.660   44.555  6.4559  35.996  10.381  8.559395       12.22431 
1 1 1 -9  -9  49 o 68.630  3.8772  576.841    64.301   555.402    91.075   598.149    90.796   66.983  5.6566  69.585  5.4204  -2.602158      7.834350 
1 1 1 -9  -9  50 o 59.903  4.0604  440.531    58.669   409.684    80.594   475.307    85.572   57.383  5.8710  61.876  5.7660  -4.492718      8.228903 
1 1 1 -9  -9  51 o 42.184  6.4191  224.900    63.630   224.900    63.630   0.0000     0.0000   42.184  6.4191  ?       ?       0.000000       6.419086 
1 1 1 -9  -9  52 o 39.428  15.517  157.255    217.861  157.255    217.861  0.0000     0.0000   39.428  15.517  ?       ?       0.000000       15.51724 
1 1 1 -9  -9  53 o 57.979  6.9644  425.000    96.015   638.413    244.729  386.174    104.384  66.912  15.394  54.847  8.0863  12.06557       17.38841 
1 1 1 -9  -9  54 o 29.714  5.9142  113.203    41.141   75.203     56.742   155.326    59.740   24.768  8.1514  34.568  7.3487  -9.800383      10.97489 
1 1 1 -9  -9  55 o 46.073  4.4365  263.435    48.984   234.525    68.029   294.561    70.588   42.802  6.7761  48.267  6.1683  -5.465046      9.163156 
1 1 1 -9  -9  56 o 36.719  7.5122  176.217    64.675   366.953    236.215  160.760    67.245   49.597  16.642  34.885  8.0999  14.71269       18.50830 
1 1 1 -9  -9  57 o 63.471  4.1380  497.475    63.379   585.121    88.945   407.072    90.334   68.454  5.3988  56.560  6.7134  11.89415       8.614977 
1 1 1 -9  -9  58 o 34.218  7.4752  153.715    60.328   167.452    70.583   116.474    116.218  35.504  8.3359  31.444  11.576  4.059149       14.26489 
1 1 1 -9  -9  59 o 52.410  7.5442  354.509    93.174   0.0000     0.0000   354.509    93.174   ?       ?       52.410  7.5442  0.000000       7.544164 
1 1 1 -9  -9  60 o 25.732  6.9947  86.273     44.818   50.305     49.605   246.103    104.568  21.248  7.5987  42.497  10.258  -21.24841      12.76577 
1 1 1 -9  -9  61 o 35.173  6.2483  159.200    51.372   171.728    58.078   114.157    110.127  36.382  6.8299  30.923  11.286  5.458565       13.19160 
1 1 1 -9  -9  62 o 23.184  6.4640  69.738     37.729   69.612     43.387   70.128     76.406   23.291  7.0630  25.262  9.3698  -1.971649      11.73365 
1 1 1 -9  -8  1  o 506.548 14.183  31266.57   1743.22  32101.19   2471.85  30440.76   2458.78  512.182 19.890  498.667 20.321  13.51584       28.43504 
1 1 1 -9  -8  2  o 618.581 17.299  46719.64   2596.39  43290.98   3676.85  50129.70   3666.86  593.226 25.544  638.994 23.650  -45.76764      34.81138 
1 1 1 -9  -8  3  o 192.864 6.3482  4516.53    297.073  4717.78    423.381  4321.36    416.943  197.035 8.8557  188.566 9.1128  8.469025       12.70694 
1 1 1 -9  -8  4  o 424.778 12.073  21957.29   1244.31  21405.44   1761.86  22506.46   1757.59  418.730 17.341  429.437 16.868  -10.70627      24.19144 
1 1 1 -9  -8  5  o 372.678 8.7204  16876.73   788.564  18225.64   1369.53  16207.71   964.491  386.737 14.595  365.056 10.889  21.68069       18.20893 
1 1 1 -9  -8  6  o 265.752 5.7129  8573.96    368.378  8550.68    523.199  8596.84    518.761  265.300 8.1277  266.019 8.0369  -0.7191467     11.43029 
1 1 1 -9  -8  7  o 365.771 7.5567  16250.41   670.664  15844.42   950.514  16652.91   946.422  360.947 10.853  370.067 10.540  -9.119995      15.12879 
1 1 1 -9  -8  8  o 187.888 4.5016  4284.63    205.226  4082.09    291.547  4483.56    288.938  183.350 6.5533  192.164 6.1968  -8.813705      9.019238 
1 1 1 -9  -8  9  o 195.835 4.5941  4654.85    218.299  4655.70    309.931  4654.02    307.527  195.810 6.5233  195.776 6.4738  0.3416443E-01  9.190394 
1 1 1 -9  -8  10 o 363.362 7.4943  16036.79   660.750  16368.49   935.943  15707.22   932.947  366.895 10.513  359.393 10.699  7.502106       14.99966 
1 1 1 -9  -8  11 o 268.425 8.2006  8753.53    534.112  8955.00    770.688  8567.33    740.889  271.301 11.707  265.376 11.506  5.924622       16.41509 
1 1 1 -9  -8  12 o 359.292 10.413  15696.63   907.802  16100.38   1299.78  15312.11   1268.44  363.474 14.738  354.464 14.748  9.010620       20.84964 
1 1 1 -9  -8  13 o 435.697 12.599  23106.80   1331.93  21647.36   1899.88  24517.36   1867.79  420.893 18.603  448.163 17.176  -27.27017      25.32011 
1 1 1 -9  -8  14 o 186.345 6.4457  4216.47    291.443  4028.45    428.005  4379.01    397.959  181.782 9.7390  189.837 8.6396  -8.054794      13.01891 
1 1 1 -9  -8  15 f 628.969 12.538  48155.95   1913.41  47807.86   2707.01  48503.50   2704.93  625.620 17.833  630.189 17.690  -4.569214      25.11828 
1 1 1 -9  -8  16 o 515.909 10.285  32365.52   1287.49  31589.38   1821.74  33140.04   1819.83  509.066 14.748  521.472 14.383  -12.40533      20.60037 
1 1 1 -9  -8  17 o 482.399 9.6717  28291.71   1132.07  26757.09   1601.98  29822.54   1600.01  468.582 14.090  494.812 13.327  -26.22995      19.39387 
1 1 1 -9  -8  18 o 460.970 9.2725  25831.60   1037.13  26798.36   1467.83  24867.77   1465.61  469.077 12.896  451.799 13.369  17.27765       18.57565 
1 1 1 -9  -8  19 o 285.529 6.0959  9899.90    422.330  9879.24    598.448  9920.39    596.088  285.099 8.6510  285.695 8.5989  -0.5963440     12.19760 
1 1 1 -9  -8  20 o 256.084 5.6316  7962.71    349.929  8156.78    496.003  7770.40    493.753  259.081 7.8901  252.862 8.0475  6.219040       11.27016 
1 1 1 -9  -8  21 o 365.005 7.3473  16188.54   650.716  16629.73   921.517  15749.76   918.992  369.670 10.274  359.729 10.529  9.941101       14.71054 
1 1 1 -9  -8  22 o 395.437 8.1736  19011.83   784.250  18738.24   1110.36  19284.18   1107.84  392.144 11.670  397.844 11.476  -5.700073      16.36714 
1 1 1 -9  -8  23 o 292.150 6.2647  10370.24   444.092  10164.74   629.236  10574.19   626.852  289.017 8.9728  294.801 8.7634  -5.784119      12.54223 
1 1 1 -9  -8  24 o 220.989 5.1957  5931.98    278.596  5951.87    395.061  5912.30    392.936  221.225 7.3598  220.489 7.3446  0.7355499      10.39762 
1 1 1 -9  -8  25 o 197.749 4.7271  4749.83    226.817  4857.98    322.012  4643.34    319.537  199.872 6.6398  195.400 6.7396  4.472183       9.460902 
1 1 1 -9  -8  26 f 221.600 5.9721  5970.89    321.117  6008.48    391.122  5893.15    562.467  222.180 7.2551  219.636 10.554  2.543381       12.80742 
1 1 1 -9  -8  27 o 424.779 12.164  22120.67   1253.71  21807.31   1756.05  22446.45   1790.47  419.561 17.250  425.620 17.337  -6.059082      24.45668 
1 1 1 -9  -8  28 o 139.828 5.5102  2377.62    186.951  2375.62    251.244  2380.09    279.837  139.437 7.4530  139.449 8.3081  -0.1171875E-01 11.16113 
1 1 1 -9  -8  29 o 78.049  4.9585  743.454    93.416   945.547    121.132  446.877    146.741  87.985  5.7047  59.566  10.538  28.41883       11.98345 
1 1 1 -9  -8  30 f 95.148  3.6175  1099.45    83.516   1121.68    119.163  1078.00    117.085  95.918  5.1388  94.025  5.1517  1.892776       7.276433 
1 1 1 -9  -8  31 o 291.964 6.2661  10373.33   443.906  10289.90   630.532  10455.33   625.058  290.327 8.9507  292.681 8.8016  -2.354523      12.55320 
1 1 1 -9  -8  32 o 30.618  5.7390  117.734    41.070   178.861    52.924   25.204     65.115   37.890  5.9529  20.973  8.4083  16.91657       10.30222 
1 1 1 -9  -8  33 o 113.383 3.8677  1561.53    106.405  1448.93    149.589  1676.84    151.386  108.997 5.6758  117.433 5.3129  -8.436035      7.774389 
1 1 1 -9  -8  34 o 195.088 5.7619  4629.98    272.744  4042.73    499.809  4879.02    325.478  181.226 11.425  200.169 6.7013  -18.94365      13.24515 
1 1 1 -9  -8  35 o 107.235 5.8184  1403.27    150.827  1490.63    235.358  1342.39    196.473  110.121 8.8840  104.631 7.7948  5.490486       11.81880 
1 1 1 -9  -8  36 o 245.982 8.1979  7386.12    489.298  6873.16    722.929  7819.75    664.678  235.958 12.673  252.519 10.848  -16.56067      16.68215 
1 1 1 -9  -8  37 o 264.215 6.8470  8509.12    438.956  8110.70    543.115  9259.62    745.406  257.587 8.6897  274.549 11.189  -16.96191      14.16738 
1 1 1 -9  -8  38 o 80.349  3.9211  784.600    76.445   748.781    104.086  826.548    112.639  78.235  5.5185  82.197  5.6826  -3.962128      7.921204 
1 1 1 -9  -8  39 o 188.236 4.7990  4311.61    219.189  4128.28    312.344  4489.49    307.669  183.880 7.0006  191.822 6.6103  -7.941757      9.628304 
1 1 1 -9  -8  40 o 175.422 4.5529  3745.40    193.791  3632.29    277.312  3853.35    270.924  172.444 6.6276  177.675 6.2843  -5.230530      9.133323 
1 1 1 -9  -8  41 o 24.490  6.1159  76.134     36.233   56.164     48.221   102.029    54.911   22.208  7.5188  28.389  7.7529  -6.181377      10.80002 
1 1 1 -9  -8  42 o 83.122  3.9656  841.105    79.980   796.162    124.743  872.478    104.222  80.394  6.4491  84.410  5.1127  -4.016525      8.229876 
1 1 1 -9  -8  43 o 59.709  3.8739  435.988    55.821   455.072    77.623   415.549    80.333   60.800  5.3150  57.998  5.7856  2.801937       7.856387 
1 1 1 -9  -8  44 o 49.134  4.1809  296.476    49.370   278.046    68.352   316.579    71.387   47.238  6.1064  50.487  5.9411  -3.248962      8.519662 
1 1 1 -9  -8  45 o 61.442  3.9155  462.139    58.070   464.578    80.762   459.528    83.555   61.344  5.4838  60.961  5.7155  0.3829422      7.920794 
1 1 1 -9  -8  46 o 41.338  5.8630  213.876    57.160   182.221    69.250   281.547    101.251  37.678  7.8305  46.701  9.2624  -9.023678      12.12880 
1 1 1 -9  -8  47 o 50.292  5.3977  313.712    64.837   348.898    79.435   243.478    112.228  52.865  6.3178  43.034  10.773  9.831764       12.48872 
1 1 1 -9  -8  48 o 68.050  4.9640  570.293    81.398   541.340    102.259  620.364    134.476  65.945  6.4743  70.181  8.0421  -4.235924      10.32434 
1 1 1 -9  -8  49 o 115.899 4.1962  1641.81    118.005  1738.81    167.620  1546.49    166.157  118.869 5.8116  111.850 6.1460  7.019646       8.458553 
1 1 1 -9  -8  50 o 64.102  5.9688  510.759    91.771   510.759    91.771   0.0000     0.0000   64.102  5.9688  ?       ?       0.000000       5.968811 
1 1 1 -9  -8  51 o 98.254  5.7536  1194.37    136.569  1194.37    136.569  0.0000     0.0000   98.254  5.7536  ?       ?       0.000000       5.753587 
1 1 1 -9  -8  52 o 33.449  8.9286  146.641    73.821   466.727    219.284  105.729    78.397   57.323  15.426  29.195  9.5801  28.12772       18.15887 
1 1 1 -9  -8  53 o 77.232  6.5331  747.258    121.279  746.303    269.383  747.501    135.823  72.093  15.833  76.919  7.3676  -4.825233      17.46318 
1 1 1 -9  -8  54 o 32.251  5.9166  132.924    44.594   120.765    61.161   146.725    65.160   30.357  8.1374  33.413  8.1174  -3.055681      11.49388 
1 1 1 -9  -8  55 o 45.776  4.5470  260.446    49.836   262.958    68.488   257.620    72.654   45.487  6.3808  44.849  6.8974  0.6383820      9.396217 
1 1 1 -9  -8  56 o 25.991  8.5368  84.384     62.245   460.091    248.242  59.178     64.299   54.758  16.949  23.452  8.6139  31.30558       19.01200 
1 1 1 -9  -8  57 o 48.731  4.9211  296.473    57.391   376.807    83.489   224.506    79.021   54.494  6.4385  41.296  8.1755  13.19814       10.40644 
1 1 1 -9  -8  58 o 59.852  7.2623  458.692    103.308  0.0000     0.0000   458.692    103.308  ?       ?       59.852  7.2623  0.000000       7.262323 
1 1 1 -9  -8  59 o 34.813  6.7192  156.947    54.701   146.055    70.766   173.117    86.223   33.115  8.6958  35.836  9.6854  -2.721298      13.01631 
1 1 1 -9  -8  60 o 55.369  5.8276  385.982    77.118   430.990    91.514   275.722    143.235  58.257  6.5899  44.144  12.694  14.11246       14.30268 
1 1 1 -9  -8  61 o 29.576  6.6995  114.280    46.963   105.951    51.287   157.522    116.859  28.374  7.3798  34.524  11.705  -6.150267      13.83689 
1 1 1 -9  -8  62 o 24.632  6.7899  79.249     41.888   64.678     48.838   119.795    81.467   22.857  7.5644  30.184  9.7574  -7.326862      12.34613 
1 1 1 -9  -7  1  f 519.374 14.558  32872.15   1834.67  32322.26   2599.18  33418.19   2590.06  513.815 20.848  522.547 20.428  -8.732788      29.18793 
1 1 1 -9  -7  2  o 540.460 15.076  35604.55   1977.09  36648.68   2798.77  34564.50   2793.28  547.101 21.083  531.179 21.673  15.92200       30.23574 
1 1 1 -9  -7  3  o 610.431 16.957  45474.73   2511.55  47288.00   3553.23  43664.23   3550.51  620.776 23.590  596.238 24.542  24.53760       34.04090 
1 1 1 -9  -7  4  o 163.318 5.5140  3237.98    218.508  2437.30    302.438  4112.32    316.046  141.348 8.8631  184.015 7.0784  -42.66734      11.34272 
1 1 1 -9  -7  5  o 679.151 13.163  56156.79   2169.07  55833.82   3069.66  56478.86   3065.41  675.978 18.715  679.906 18.581  -3.927979      26.37273 
1 1 1 -9  -7  6  o 562.925 10.911  38537.99   1490.30  37529.11   2109.36  39543.53   2105.86  554.794 15.669  569.566 15.238  -14.77216      21.85686 
1 1 1 -9  -7  7  o 383.496 7.7343  17864.30   719.689  17053.03   1019.24  18670.98   1016.35  374.435 11.219  391.842 10.690  -17.40652      15.49604 
1 1 1 -9  -7  8  o 662.205 12.833  53379.62   2061.97  52682.27   2917.40  54075.70   2914.74  656.728 18.308  665.419 18.053  -8.691101      25.71163 
1 1 1 -9  -7  9  o 390.732 7.8227  18545.33   741.654  18944.74   1049.87  18147.46   1047.85  394.680 10.963  386.267 11.180  8.413116       15.65824 
1 1 1 -9  -7  10 o 569.579 11.085  39457.46   1531.92  39747.72   2167.37  39167.70   2165.55  570.962 15.645  566.762 15.747  4.199707       22.19742 
1 1 1 -9  -7  11 o 668.050 18.657  54529.34   3024.26  53411.25   4293.12  55630.76   4260.97  658.675 26.862  672.490 26.113  -13.81494      37.46278 
1 1 1 -9  -7  12 o 175.389 5.9984  3734.75    255.271  4547.61    376.202  3041.12    347.518  193.481 8.0134  157.929 9.1075  35.55220       12.13099 
1 1 1 -9  -7  13 o 595.723 16.612  43299.39   2401.20  43508.41   3412.38  43094.38   3379.47  595.444 23.619  592.637 23.501  2.806824       33.31899 
1 1 1 -9  -7  14 o 524.468 10.347  33445.39   1316.71  33270.96   1862.77  33619.58   1861.45  522.510 14.693  525.255 14.606  -2.744263      20.71703 
1 1 1 -9  -7  15 o 536.888 10.661  35054.03   1388.86  34420.17   1964.87  35686.96   1963.43  531.350 15.240  541.089 14.955  -9.738281      21.35207 
1 1 1 -9  -7  16 o 241.385 5.3051  7073.22    310.719  7230.68    440.082  6916.70    438.766  243.986 7.4337  238.624 7.5780  5.361633       10.61535 
1 1 1 -9  -7  17 o 189.582 4.5289  4362.38    208.332  4234.78    295.051  4489.26    294.202  186.743 6.5116  192.278 6.3060  -5.534744      9.064562 
1 1 1 -9  -7  18 f 474.198 9.5615  27338.06   1100.15  27904.59   1556.65  26772.69   1555.04  478.602 13.405  468.755 13.672  9.846222       19.14692 
1 1 1 -9  -7  19 o 480.279 9.7964  28049.89   1141.63  27868.28   1615.40  28231.09   1613.61  478.156 13.923  481.275 13.818  -3.119476      19.61622 
1 1 1 -9  -7  20 f 450.712 9.0453  24697.80   989.200  24609.95   1399.87  24785.40   1398.01  449.425 12.837  451.034 12.774  -1.608643      18.11006 
1 1 1 -9  -7  21 o 229.198 5.1695  6378.05    287.491  6534.45    407.509  6223.08    405.644  231.906 7.2421  226.306 7.3873  5.599609       10.34500 
1 1 1 -9  -7  22 o 248.516 5.6104  7500.38    338.307  7479.08    479.346  7521.53    477.537  248.036 7.9647  248.742 7.9121  -0.7063751     11.22669 
1 1 1 -9  -7  23 o 174.816 4.4103  3710.37    187.074  3750.05    265.669  3671.34    263.471  175.684 6.2322  173.830 6.2466  1.854172       8.823873 
1 1 1 -9  -7  24 o 374.486 7.8859  17061.68   716.559  17099.96   1014.85  17023.62   1011.89  374.378 11.172  373.543 11.164  0.8352051      15.79404 
1 1 1 -9  -7  25 o 208.530 4.9681  5282.62    251.374  5270.80    356.785  5294.27    354.222  208.156 7.0640  208.624 6.9976  -0.4680328     9.943172 
1 1 1 -9  -7  26 o 198.093 6.6594  4774.06    320.088  4789.82    437.353  4755.88    469.724  198.181 9.0951  197.394 9.8072  0.7868347      13.37540 
1 1 1 -9  -7  27 o 311.530 9.2953  11847.20   702.631  11729.66   976.506  11973.38   1011.77  309.067 13.021  312.163 13.358  -3.096252      18.65452 
1 1 1 -9  -7  28 o 193.096 6.4421  4538.14    301.830  4103.86    410.949  5046.81    444.758  183.079 9.2813  203.318 9.0154  -20.23975      12.93904 
1 1 1 -9  -7  29 o 357.155 7.4818  15543.97   648.377  16108.40   919.442  14985.65   914.466  362.826 10.444  349.858 10.772  12.96814       15.00395 
1 1 1 -9  -7  30 o 163.782 4.2675  3258.94    169.592  3288.95    241.697  3229.84    238.025  164.416 6.0585  162.935 6.0207  1.481445       8.541273 
1 1 1 -9  -7  31 o 288.676 6.2155  10140.26   435.365  10053.13   618.349  10225.92   613.083  286.989 8.8798  289.474 8.7286  -2.485382      12.45151 
1 1 1 -9  -7  32 o 254.087 5.6813  7852.20    350.261  7815.43    497.449  7888.36    493.264  253.164 8.0981  254.359 7.9922  -1.195267      11.37783 
1 1 1 -9  -7  33 o 132.465 4.0404  2131.57    129.865  1761.00    182.211  2514.13    185.137  120.129 6.2730  143.794 5.3063  -23.66530      8.216250 
1 1 1 -9  -7  34 o 123.499 5.9301  1855.76    177.702  1839.75    270.879  1867.85    235.447  122.380 9.1893  123.515 7.8975  -1.134689      12.11668 
1 1 1 -9  -7  35 o 151.700 6.2218  2801.32    229.017  2882.77    352.090  2741.58    301.518  153.259 9.5151  149.647 8.3370  3.612411       12.65080 
1 1 1 -9  -7  36 o 154.523 6.3584  2907.72    238.399  2872.74    366.586  2933.36    313.824  152.864 9.9373  154.766 8.3883  -1.901352      13.00438 
1 1 1 -9  -7  37 o 159.609 4.4075  3096.78    170.691  3324.94    243.920  2877.83    238.945  165.236 6.0839  153.693 6.4074  11.54236       8.835584 
1 1 1 -9  -7  38 o 133.522 4.0775  2167.08    132.104  2288.40    188.147  2049.12    185.527  137.087 5.6564  129.701 5.8952  7.385666       8.169950 
1 1 1 -9  -7  39 o 148.769 4.6047  2692.81    166.217  2466.45    272.382  2827.11    209.811  141.759 7.9510  152.320 5.6768  -10.56100      9.769565 
1 1 1 -9  -7  40 o 85.205  3.6983  882.725    76.459   881.554    108.057  883.899    108.201  84.890  5.2721  85.003  5.2720  -0.1132050     7.455853 
1 1 1 -9  -7  41 o 95.976  3.7312  1120.54    86.891   1075.18    123.377  1165.18    122.394  93.716  5.4493  97.612  5.1863  -3.896255      7.522749 
1 1 1 -9  -7  42 o 71.870  3.7770  630.402    65.635   576.570    92.891   684.073    92.753   68.463  5.6420  74.691  5.1494  -6.227913      7.638649 
1 1 1 -9  -7  43 o 32.936  5.2367  135.768    40.449   119.037    54.383   156.482    60.513   30.504  7.4189  35.028  7.3541  -4.523737      10.44619 
1 1 1 -9  -7  44 o 59.524  3.8545  433.554    55.372   450.760    77.355   415.472    79.297   60.469  5.3266  57.964  5.7124  2.504910       7.810483 
1 1 1 -9  -7  45 o 64.624  3.8587  510.979    60.230   482.087    84.055   541.469    86.348   62.466  5.6054  66.267  5.4176  -3.801197      7.795536 
1 1 1 -9  -7  46 o 80.155  4.9199  789.222    95.223   747.693    120.174  859.289    156.096  77.666  6.4350  82.886  7.8554  -5.219910      10.15458 
1 1 1 -9  -7  47 f 57.909  5.1345  414.113    71.396   392.497    88.686   453.923    120.355  56.028  6.6537  59.780  8.5402  -3.752037      10.82616 
1 1 1 -9  -7  48 o 114.534 4.3881  1603.90    121.947  1598.13    189.438  1607.99    159.355  113.481 6.9128  114.219 5.7686  -0.7376099     9.003572 
1 1 1 -9  -7  49 o 66.397  4.9919  543.544    79.835   380.341    127.117  649.848    102.592  54.056  10.062  72.420  5.8894  -18.36421      11.65877 
1 1 1 -9  -7  50 o 26.257  8.8272  82.166     66.460   82.166     66.460   0.0000     0.0000   26.257  8.8272  ?       ?       0.000000       8.827190 
1 1 1 -9  -7  51 o 115.970 6.1151  1667.18    171.466  1667.18    171.466  0.0000     0.0000   115.970 6.1151  ?       ?       0.000000       6.115144 
1 1 1 -9  -7  52 o 81.775  6.3778  834.624    125.547  1050.21    275.094  777.908    141.098  88.054  13.289  78.511  7.4979  9.542671       15.25845 
1 1 1 -9  -7  53 o 32.502  8.8765  138.881    71.978   -20.9521   218.882  158.260    76.217   31.907  14.163  34.617  8.9928  -2.709955      16.77685 
1 1 1 -9  -7  54 o 34.808  5.6032  153.658    45.718   136.189    62.035   174.423    67.636   32.199  7.9804  36.511  7.8669  -4.311554      11.20602 
1 1 1 -9  -7  55 o 11.377  5.4746  -64.9848   44.506   -46.2068   197.406  -65.9904   45.682   29.231  13.176  11.555  5.5566  17.67648       14.29992 
1 1 1 -9  -7  56 o 15.485  6.1574  16.585     34.635   37.482     44.973   -13.8745   54.295   19.316  7.1837  16.018  7.0847  3.298010       10.08956 
1 1 1 -9  -7  57 o 30.999  9.2521  126.979    74.887   0.0000     0.0000   126.979    74.887   ?       ?       30.999  9.2521  0.000000       9.252068 
1 1 1 -9  -7  58 o 13.727  6.6154  -95.5692   65.614   0.0000     0.0000   -95.5692   65.614   ?       ?       13.727  6.6154  0.000000       6.615363 
1 1 1 -9  -7  59 o 53.039  5.1234  351.375    65.114   308.562    87.808   403.680    97.055   48.806  7.6675  56.106  7.3024  -7.299248      10.58846 
1 1 1 -9  -7  60 o 44.055  6.7527  249.163    69.882   217.007    82.670   329.659    130.800  40.381  8.6945  48.822  11.270  -8.440891      14.23396 
1 1 1 -9  -7  61 o 63.188  5.6843  501.793    86.219   592.070    105.080  315.795    150.829  68.367  6.4092  46.856  12.871  21.51175       14.37880 
1 1 1 -9  -6  1  o 296.124 8.7880  10655.35   631.434  11326.85   894.550  9988.53    891.424  305.097 12.084  286.452 12.825  18.64474       17.62120 
1 1 1 -9  -6  2  o 508.583 14.205  31509.27   1752.91  31247.71   2470.43  31774.48   2487.63  505.423 20.144  509.672 20.116  -4.248383      28.46803 
1 1 1 -9  -6  3  o 450.488 12.736  24701.76   1392.09  25049.28   1959.02  24347.27   1978.56  452.935 17.825  446.472 18.264  6.463013       25.52077 
1 1 1 -9  -6  4  o 669.058 18.672  54691.11   3031.19  56738.50   4275.69  52622.41   4297.90  679.255 25.942  653.755 27.094  25.50079       37.51138 
1 1 1 -9  -6  5  o 137.797 3.6509  2304.26    122.069  2270.80    173.419  2337.12    171.856  136.774 5.2255  138.758 5.1044  -1.984726      7.304822 
1 1 1 -9  -6  6  o 435.060 8.6541  22997.96   913.560  23100.42   1293.20  22895.88   1290.74  435.699 12.232  433.763 12.264  1.936584       17.32146 
1 1 1 -9  -6  7  o 625.780 12.279  47653.95   1864.41  47505.32   2637.74  47802.34   2635.61  623.842 17.426  625.805 17.357  -1.962280      24.59530 
1 1 1 -9  -6  8  o 625.890 12.275  47670.57   1864.11  47026.78   2637.05  48313.59   2635.45  620.674 17.510  629.163 17.263  -8.488770      24.58930 
1 1 1 -9  -6  9  o 450.235 8.9760  24633.09   980.588  24510.49   1387.50  24755.44   1386.02  448.743 12.743  450.988 12.666  -2.245636      17.96699 
1 1 1 -9  -6  10 o 128.762 3.6258  2012.00    113.283  1927.82    160.453  2095.66    159.960  126.022 5.2473  131.396 5.0172  -5.374496      7.259957 
1 1 1 -9  -6  11 f 659.747 18.788  53183.88   3007.68  48049.37   4270.46  58237.62   4236.74  624.327 28.190  688.376 25.365  -64.04846      37.92224 
1 1 1 -9  -6  12 o 467.082 13.541  26566.32   1534.68  24019.33   2187.33  29035.76   2153.78  443.097 20.345  487.579 18.205  -44.48239      27.30076 
1 1 1 -9  -6  13 o 542.959 15.226  35934.50   2005.94  36002.11   2854.19  35868.50   2819.79  542.159 21.697  541.205 21.473  0.9542236      30.52590 
1 1 1 -9  -6  14 o 284.957 6.0598  9858.74    418.990  9670.86    593.210  10045.76   591.874  282.118 8.6659  287.544 8.4832  -5.425537      12.12695 
1 1 1 -9  -6  15 o 416.138 8.3963  21039.96   847.792  21374.02   1199.71  20706.74   1198.21  419.130 11.797  412.518 11.971  6.612000       16.80672 
1 1 1 -9  -6  16 o 294.222 6.2731  10511.05   447.840  10449.57   634.115  10572.24   632.569  293.236 8.9122  294.956 8.8387  -1.720245      12.55191 
1 1 1 -9  -6  17 o 364.940 7.6347  16178.18   676.052  16166.07   956.897  16190.25   955.267  364.569 10.817  364.844 10.791  -0.2748413     15.27927 
1 1 1 -9  -6  18 o 165.200 4.1864  3312.27    167.809  3190.88    238.266  3431.74    236.382  162.109 6.0575  168.122 5.7946  -6.012878      8.382759 
1 1 1 -9  -6  19 o 380.908 7.7769  17628.12   718.770  18087.31   1017.53  17170.80   1015.46  385.569 10.876  375.647 11.141  9.921967       15.56961 
1 1 1 -9  -6  20 o 373.965 7.7243  16992.90   700.900  17312.79   992.271  16674.35   990.177  377.185 10.842  370.146 11.025  7.039032       15.46282 
1 1 1 -9  -6  21 o 316.343 6.7485  12156.77   518.003  12132.19   733.902  12181.18   731.240  315.815 9.5773  316.456 9.5232  -0.6417236     13.50612 
1 1 1 -9  -6  22 o 217.442 4.9714  5740.75    262.290  5687.06    372.294  5793.66    369.589  216.333 7.0925  218.357 6.9757  -2.023758      9.948076 
1 1 1 -9  -6  23 o 261.601 5.7529  8313.14    365.168  8211.83    517.769  8413.42    515.092  259.831 8.2126  263.013 8.0713  -3.181488      11.51491 
1 1 1 -9  -6  24 o 303.901 6.4387  11226.07   474.779  11019.51   673.089  11430.61   669.802  300.792 9.2224  306.378 9.0100  -5.586548      12.89310 
1 1 1 -9  -6  25 o 360.676 7.5793  15832.20   663.305  16052.28   940.066  15613.99   936.057  362.610 10.684  357.604 10.788  5.006226       15.18344 
1 1 1 -9  -6  26 o 110.312 5.1295  1478.82    137.297  1489.71    182.875  1464.74    207.848  110.433 6.8587  109.379 7.8844  1.053886       10.45018 
1 1 1 -9  -6  27 o 283.943 8.7337  9835.51    601.721  10205.50   833.544  9432.90    869.518  288.552 11.905  277.161 12.930  11.39075       17.57582 
1 1 1 -9  -6  28 o 106.369 5.1375  1375.49    132.596  1403.67    174.919  1337.41    203.305  107.163 6.7618  104.421 8.0872  2.742111       10.54154 
1 1 1 -9  -6  29 o 85.304  3.6798  883.762    76.167   1008.23    108.474  762.718    106.973  90.942  4.9343  78.994  5.6177  11.94784       7.477009 
1 1 1 -9  -6  30 o 201.019 4.8047  4911.10    234.354  5033.81    333.849  4791.90    329.056  203.338 6.7665  198.385 6.8359  4.953186       9.618523 
1 1 1 -9  -6  31 o 20.749  6.4341  52.081     35.757   16.319     50.384   88.366     50.753   18.159  7.3552  26.592  7.5265  -8.433531      10.52361 
1 1 1 -9  -6  32 o 350.769 7.4168  14990.95   631.249  14642.97   895.508  15334.64   889.959  345.887 10.670  354.051 10.360  -8.164001      14.87187 
1 1 1 -9  -6  33 o 189.267 4.6318  4353.39    212.712  4262.66    302.513  4442.11    299.156  187.114 6.6631  191.033 6.4540  -3.918930      9.276324 
1 1 1 -9  -6  34 o 58.668  6.2221  423.590    87.222   368.832    152.490  450.217    106.334  53.782  11.991  60.332  7.4201  -6.550632      14.10130 
1 1 1 -9  -6  35 o 173.363 6.4785  3659.70    272.518  3841.28    419.895  3527.55    358.210  176.926 9.8196  169.732 8.7274  7.194580       13.13740 
1 1 1 -9  -6  36 o 83.765  5.7829  857.975    116.816  773.080    191.221  908.522    147.549  78.794  10.244  86.038  7.1321  -7.244148      12.48234 
1 1 1 -9  -6  37 o 171.069 4.5213  3558.04    187.671  3540.00    268.258  3575.32    262.643  170.441 6.4866  171.308 6.3186  -0.8675690     9.055429 
1 1 1 -9  -6  38 o 157.845 4.2551  3029.29    162.970  2822.30    232.449  3229.39    228.549  152.160 6.2960  162.824 5.7849  -10.66443      8.550117 
1 1 1 -9  -6  39 o 288.931 6.3647  10186.60   446.207  10224.70   635.182  10149.48   626.963  288.616 9.0701  287.584 8.9849  1.032318       12.76699 
1 1 1 -9  -6  40 o 256.173 5.8033  8007.30    360.723  7828.35    514.068  8180.88    506.298  252.509 8.3903  258.243 8.0800  -5.734238      11.64838 
1 1 1 -9  -6  41 o 56.716  4.0113  393.467    54.846   389.383    77.655   397.533    77.474   56.172  5.7799  56.777  5.7007  -0.6042366     8.118227 
1 1 1 -9  -6  42 o 176.830 4.6457  3813.01    199.327  3849.39    284.712  3778.04    279.153  177.206 6.6216  175.574 6.5527  1.631241       9.315757 
1 1 1 -9  -6  43 o 79.649  3.8589  772.803    74.578   748.288    103.331  799.457    107.746  78.025  5.4931  80.652  5.5394  -2.627144      7.801205 
1 1 1 -9  -6  44 o 44.369  4.8445  243.370    51.307   300.734    70.077   177.092    75.325   49.162  5.9991  37.072  8.5486  12.08964       10.44357 
1 1 1 -9  -6  45 o 68.666  4.0343  577.179    66.922   533.466    93.294   623.512    96.049   65.660  5.9195  71.091  5.6139  -5.431282      8.158203 
1 1 1 -9  -6  46 o 99.833  5.1060  1223.95    123.272  1175.51    157.712  1300.01    197.633  97.403  6.7141  102.001 8.0507  -4.598343      10.48301 
1 1 1 -9  -6  47 o 145.688 5.8522  2609.47    206.875  2742.09    271.552  2426.05    319.359  148.510 7.5609  138.668 9.5498  9.842636       12.18054 
1 1 1 -9  -6  48 o 58.702  4.0835  422.914    57.801   376.370    83.705   465.335    79.912   54.884  6.4060  61.331  5.4259  -6.446724      8.395070 
1 1 1 -9  -6  49 o 28.054  9.2422  95.659     72.937   95.659     72.937   0.0000     0.0000   28.054  9.2422  ?       ?       0.000000       9.242214 
1 1 1 -9  -6  50 o 117.978 6.2296  1724.46    177.698  1724.46    177.698  0.0000     0.0000   117.978 6.2296  ?       ?       0.000000       6.229585 
1 1 1 -9  -6  51 o 60.360  6.9628  458.806    100.105  554.810    242.623  439.110    109.895  62.415  15.959  58.724  7.9141  3.690914       17.81311 
1 1 1 -9  -6  52 o 33.124  8.7122  143.986    70.958   -138.9579  215.386  178.434    75.154   28.205  13.099  36.876  8.5635  -8.670094      15.64974 
1 1 1 -9  -6  53 o 16.984  6.6901  21.440     40.530   -0.8038    60.194   39.888     54.818   17.900  7.6934  20.725  7.8826  -2.824572      11.01465 
1 1 1 -9  -6  54 o 27.436  6.4161  97.557     41.951   107.917    56.593   84.922     62.499   28.736  7.8804  26.131  8.5528  2.605028       11.62976 
1 1 1 -9  -6  55 o 23.698  6.1750  72.650     35.864   51.718     47.396   100.692    54.858   21.260  7.4442  27.767  7.8131  -6.507315      10.79171 
1 1 1 -9  -6  56 o 46.186  4.9719  266.672    54.840   260.178    79.481   272.573    75.764   44.771  7.5875  46.061  6.9993  -1.290516      10.32278 
1 1 1 -9  -6  57 o 18.020  8.1033  -28.7615   74.153   0.0000     0.0000   -28.7615   74.153   ?       ?       18.020  8.1033  0.000000       8.103336 
1 1 1 -9  -6  58 o 53.701  5.1274  360.104    65.999   316.001    88.904   414.249    98.507   49.412  7.6635  56.849  7.3108  -7.437035      10.59138 
1 1 1 -9  -6  59 o 24.527  7.4571  76.985     48.319   55.617     61.694   110.890    77.714   22.867  8.4317  29.385  9.5332  -6.517979      12.72698 
1 1 1 -9  -6  60 o 37.043  7.2624  179.087    62.943   153.402    72.720   255.811    125.683  33.864  8.7777  42.765  11.750  -8.901314      14.66685 
1 1 1 -9  -6  61 o 42.542  5.7234  229.741    57.581   220.046    76.996   242.043    86.734   40.788  8.0657  42.574  8.6903  -1.785984      11.85651 
1 1 1 -9  -5  1  o 392.059 11.206  18695.50   1066.01  18782.98   1497.11  18605.53   1518.24  392.495 15.720  390.599 16.019  1.895752       22.44420 
1 1 1 -9  -5  2  o 602.411 16.830  44278.00   2460.01  45248.04   3466.59  43293.95   3491.51  607.335 23.524  593.877 24.230  13.45819       33.77083 
1 1 1 -9  -5  3  o 379.395 10.821  17504.01   996.142  16826.38   1395.94  18207.13   1421.94  371.522 15.485  386.503 15.162  -14.98096      21.67222 
1 1 1 -9  -5  4  o 472.106 13.218  27135.28   1514.12  26215.64   2127.30  28079.51   2155.56  463.186 18.928  479.441 18.529  -16.25446      26.48803 
1 1 1 -9  -5  5  o 739.488 14.378  66618.88   2579.77  66629.12   3650.26  66608.66   3646.45  738.004 20.385  737.896 20.366  0.1078491      28.81516 
1 1 1 -9  -5  6  o 388.119 7.9234  18298.38   746.171  18669.75   1056.82  17929.21   1053.68  391.799 11.117  383.933 11.311  7.865814       15.85911 
1 1 1 -9  -5  7  o 209.603 4.7893  5332.46    243.574  5334.17    345.583  5330.77    343.359  209.587 6.7955  209.522 6.7539  0.6564331E-01  9.580966 
1 1 1 -9  -5  8  o 387.430 7.9144  18233.40   744.004  17867.73   1053.24  18597.61   1051.12  383.273 11.325  391.044 11.078  -7.771484      15.84265 
1 1 1 -9  -5  9  o 756.617 14.827  69759.12   2722.02  69845.13   3850.55  69673.20   3848.48  755.411 21.008  754.476 21.022  0.9350586      29.71957 
1 1 1 -9  -5  10 o 465.452 9.2476  26328.72   1044.40  26901.24   1477.92  25757.61   1476.09  470.098 12.957  459.964 13.226  10.13330       18.51493 
1 1 1 -9  -5  11 o 379.375 10.804  17502.04   994.534  18776.06   1424.98  16292.09   1388.69  392.519 14.962  365.557 15.656  26.96243       21.65576 
1 1 1 -9  -5  12 o 597.380 17.024  43547.26   2467.63  40205.70   3508.54  46818.20   3471.27  572.009 25.279  617.890 23.153  -45.88068      34.27977 
1 1 1 -9  -5  13 o 399.499 11.581  19415.13   1122.60  18920.78   1606.32  19887.08   1569.52  393.792 16.811  403.828 16.018  -10.03601      23.22052 
1 1 1 -9  -5  14 o 504.111 10.024  30893.91   1226.09  31864.47   1734.84  29925.34   1733.06  511.475 13.979  495.607 14.412  15.86899       20.07745 
1 1 1 -9  -5  15 o 210.572 4.8642  5382.03    248.527  5614.35    352.319  5151.93    350.628  215.020 6.7529  205.967 7.0159  9.052887       9.737823 
1 1 1 -9  -5  16 o 260.059 5.7903  8210.80    365.374  8358.30    517.468  8064.14    515.968  262.295 8.1307  257.633 8.2539  4.662384       11.58600 
1 1 1 -9  -5  17 o 254.765 5.5291  7879.59    341.792  8131.27    484.563  7630.37    482.181  258.721 7.7189  250.616 7.9293  8.104309       11.06597 
1 1 1 -9  -5  18 o 176.993 4.3739  3802.18    187.840  3528.90    266.364  4072.55    264.935  170.470 6.4397  183.143 5.9619  -12.67317      8.775736 
1 1 1 -9  -5  19 o 416.558 8.4089  21087.48   849.917  21786.10   1203.23  20391.79   1200.70  423.063 11.721  409.258 12.091  13.80505       16.84018 
1 1 1 -9  -5  20 o 252.731 5.6903  7755.65    348.945  7840.89    494.475  7671.09    492.495  254.010 8.0229  251.242 8.0788  2.768265       11.38564 
1 1 1 -9  -5  21 o 126.101 3.8385  1930.00    117.447  1962.13    167.738  1899.10    164.500  127.119 5.4382  125.061 5.4210  2.058006       7.678629 
1 1 1 -9  -5  22 o 167.742 4.3417  3415.79    176.712  3411.82    251.258  3419.67    248.579  167.591 6.1788  167.786 6.1058  -0.1949615     8.686705 
1 1 1 -9  -5  23 o 149.386 4.1470  2709.27    150.316  2707.14    213.661  2711.35    211.512  149.276 5.8989  149.394 5.8350  -0.1182861     8.297229 
1 1 1 -9  -5  24 f 114.189 3.7266  1582.95    103.251  1557.04    146.805  1608.32    145.246  113.211 5.3443  115.064 5.2024  -1.853302      7.458296 
1 1 1 -9  -5  25 o 134.069 3.9706  2182.63    129.167  2104.98    183.688  2258.59    181.667  131.598 5.7527  136.326 5.4920  -4.728699      7.953328 
1 1 1 -9  -5  26 o 149.628 5.7366  2722.10    208.272  2642.22    279.695  2821.53    312.032  147.068 7.8665  151.905 8.4998  -4.836945      11.58137 
1 1 1 -9  -5  27 o 323.203 9.7366  12762.12   763.568  13271.38   1061.76  12216.60   1098.89  328.594 13.317  314.927 14.381  13.66702       19.59964 
1 1 1 -9  -5  28 o 353.973 10.220  15324.55   877.768  14212.66   1222.03  16509.64   1261.62  339.377 14.840  366.033 14.205  -26.65576      20.54293 
1 1 1 -9  -5  29 o 35.194  4.8838  153.417    40.581   160.165    57.911   146.907    56.884   35.662  6.9422  34.103  7.1050  1.559631       9.933566 
1 1 1 -9  -5  30 o 258.927 5.7121  8153.94    358.870  8266.79    510.059  8043.32    505.016  260.391 8.0729  256.842 8.1035  3.548462       11.43851 
1 1 1 -9  -5  31 o 41.981  4.5675  216.681    45.776   196.156    65.630   236.125    63.878   39.539  7.1020  43.619  6.2110  -4.080189      9.434725 
1 1 1 -9  -5  32 o 257.826 5.8012  8085.81    362.919  8031.85    515.980  8138.63    510.554  256.616 8.2868  258.339 8.1449  -1.723389      11.61940 
1 1 1 -9  -5  33 o 298.010 6.3902  10809.76   462.072  10990.90   656.688  10632.13   650.295  300.011 9.0211  295.061 9.0831  4.950287       12.80167 
1 1 1 -9  -5  34 o 358.327 10.743  15727.96   934.079  15584.80   1355.16  15857.54   1289.28  354.749 15.744  358.250 14.832  -3.500793      21.62979 
1 1 1 -9  -5  35 o 83.113  5.6794  844.361    113.849  945.500    192.585  790.028    141.155  87.477  9.2118  80.173  7.3375  7.303375       11.77689 
1 1 1 -9  -5  36 o 9.6141  4.8382  -160.2919  51.308   -308.6915  87.019   -81.2063   63.525   11.894  6.0205  14.195  6.7512  -2.300671      9.045693 
1 1 1 -9  -5  37 o 82.998  3.7998  837.061    76.522   802.946    109.002  870.214    107.453  81.026  5.5783  84.401  5.2734  -3.375648      7.676302 
1 1 1 -9  -5  38 o 42.039  4.5937  217.519    46.094   259.220    64.806   174.822    65.575   45.737  5.9830  37.168  7.5292  8.568699       9.616931 
1 1 1 -9  -5  39 o 112.233 3.8873  1531.67    105.860  1477.89    150.391  1584.49    149.036  109.962 5.6557  114.032 5.3864  -4.070473      7.810286 
1 1 1 -9  -5  40 o 174.733 4.6116  3718.32    195.518  3576.12    278.860  3855.82    274.208  170.993 6.7212  177.629 6.3621  -6.635864      9.254770 
1 1 1 -9  -5  41 f 95.589  3.9680  1112.26    92.034   1128.19    130.669  1096.57    129.648  95.945  5.6376  94.581  5.6756  1.364563       7.999722 
1 1 1 -9  -5  42 o 132.809 4.1859  2149.25    134.891  2145.91    192.945  2152.45    188.657  132.401 6.0059  132.630 5.8623  -0.2293243     8.392686 
1 1 1 -9  -5  43 o 67.493  4.1477  557.433    67.596   472.559    93.831   649.006    97.463   61.740  6.3542  72.610  5.5745  -10.86978      8.452864 
1 1 1 -9  -5  44 o 108.309 4.0363  1430.64    106.074  1394.68    151.148  1465.54    148.899  106.472 5.8733  109.210 5.6383  -2.737671      8.141662 
1 1 1 -9  -5  45 o 67.352  4.1730  555.820    67.862   562.797    93.452   548.037    98.705   67.478  5.7630  66.487  6.1896  0.9910583      8.457103 
1 1 1 -9  -5  46 o 44.218  5.5790  243.648    58.525   204.133    70.418   331.910    105.241  39.975  7.5363  50.888  8.8443  -10.91322      11.61973 
1 1 1 -9  -5  47 f 95.479  5.0328  1120.05    116.183  997.862    146.840  1324.60    189.990  89.633  6.8024  103.041 7.6537  -13.40819      10.23973 
1 1 1 -9  -5  48 o 79.634  6.1827  786.123    118.528  786.123    118.528  0.0000     0.0000   79.634  6.1827  ?       ?       0.000000       6.182661 
1 1 1 -9  -5  49 o 73.329  6.1806  668.023    108.945  668.023    108.945  0.0000     0.0000   73.329  6.1806  ?       ?       0.000000       6.180631 
1 1 1 -9  -5  50 o 76.963  4.2495  727.167    79.049   783.333    116.227  678.823    107.830  79.414  6.0780  73.899  6.0672  5.514977       8.587926 
1 1 1 -9  -5  51 o 28.067  8.7785  99.450     66.400   -151.7886  171.724  143.617    72.000   24.322  11.425  33.123  8.8067  -8.800842      14.42528 
1 1 1 -9  -5  52 o 14.544  6.6780  -36.8580   53.735   -146.8823  162.801  -23.4061   56.925   23.554  11.083  15.886  7.1252  7.667788       13.17601 
1 1 1 -9  -5  53 o 21.088  7.0558  53.000     42.461   27.901     61.404   76.000     58.780   20.336  8.1608  24.963  8.3004  -4.626898      11.64029 
1 1 1 -9  -5  54 o 92.453  4.1979  1050.14    94.172   1077.87    134.791  1023.69    131.623  92.878  6.0134  90.498  6.0287  2.380447       8.515059 
1 1 1 -9  -5  55 o 43.079  5.4691  233.701    55.880   276.552    82.463   197.317    75.986   46.200  7.6221  38.643  8.3479  7.556435       11.30412 
1 1 1 -9  -5  56 f 70.366  6.0267  621.964    101.906  0.0000     0.0000   621.964    101.906  ?       ?       70.366  6.0267  0.000000       6.026728 
1 1 1 -9  -5  57 o 65.677  4.6721  534.839    73.969   447.893    102.392  629.741    106.974  59.149  7.2885  70.697  6.3022  -11.54771      9.635372 
1 1 1 -9  -5  58 o 58.942  5.7228  435.945    80.814   545.171    113.339  322.980    115.262  65.352  7.2708  48.971  10.037  16.38103       12.39415 
1 1 1 -9  -5  59 o 19.647  7.8251  28.377     56.020   12.034     64.472   78.744     113.181  19.339  8.1214  28.635  11.210  -9.296331      13.84302 
1 1 1 -9  -5  60 o 46.960  6.3371  281.127    70.364   298.570    81.835   231.663    137.809  48.083  7.2387  40.600  12.638  7.482731       14.56443 
1 1 1 -9  -4  1  o 802.217 22.214  78846.67   4323.89  79316.47   6099.96  78372.24   6129.97  800.709 31.397  795.756 31.748  4.953186       44.65083 
1 1 1 -9  -4  2  o 430.879 12.187  22590.77   1274.09  21941.67   1786.79  23262.22   1817.28  423.997 17.368  436.602 17.154  -12.60464      24.41124 
1 1 1 -9  -4  3  o 274.334 8.3975  9143.35    558.976  9421.26    776.436  8844.33    805.380  278.301 11.498  269.593 12.312  8.707794       16.84613 
1 1 1 -9  -4  4  f 514.989 10.164  32242.36   1270.09  32250.65   1797.27  32234.08   1795.08  514.521 14.396  514.391 14.382  0.1301270      20.34936 
1 1 1 -9  -4  5  o 354.552 8.3768  15272.34   720.648  14661.55   1237.63  15585.65   886.417  346.882 14.704  358.049 10.203  -11.16629      17.89752 
1 1 1 -9  -4  6  o 275.898 5.9123  9241.39    395.794  8998.09    560.776  9482.90    558.704  272.141 8.4924  279.388 8.2416  -7.246918      11.83405 
1 1 1 -9  -4  7  o 271.188 8.1293  8934.09    534.920  8339.51    755.541  9531.67    757.445  261.810 11.893  279.947 11.151  -18.13651      16.30328 
1 1 1 -9  -4  8  o 370.657 7.6020  16687.11   683.699  16344.23   968.098  17028.28   965.699  366.606 10.883  374.219 10.635  -7.613098      15.21691 
1 1 1 -9  -4  9  o 513.106 10.102  32006.15   1257.68  32655.22   1779.90  31358.94   1777.35  517.772 14.167  507.352 14.438  10.41989       20.22786 
1 1 1 -9  -4  10 o 270.388 8.4091  8882.20    551.698  8474.39    799.722  9252.53    762.076  263.883 12.490  275.804 11.388  -11.92148      16.90205 
1 1 1 -9  -4  11 o 445.290 12.698  24133.27   1371.94  24117.88   1960.62  24148.04   1920.45  444.399 18.183  444.738 17.796  -0.3390198     25.44254 
1 1 1 -9  -4  12 o 805.841 22.347  79570.03   4369.44  79237.52   6200.16  79898.11   6158.70  800.041 31.939  803.545 31.587  -3.504089      44.92094 
1 1 1 -9  -4  13 o 493.348 13.970  29644.20   1672.35  29470.93   2385.78  29811.58   2344.88  490.895 20.030  493.813 19.570  -2.918427      28.00329 
1 1 1 -9  -4  14 o 441.377 8.7965  23671.85   942.065  24197.07   1333.62  23148.72   1330.95  445.911 12.326  436.117 12.578  9.794098       17.61029 
1 1 1 -9  -4  15 o 329.593 6.9168  13192.16   553.158  13912.19   783.610  12476.99   780.962  338.318 9.5458  320.360 10.047  17.95770       13.85857 
1 1 1 -9  -4  16 o 206.304 4.8286  5166.07    241.710  5272.77    342.956  5060.76    340.715  208.374 6.7832  204.139 6.8786  4.235031       9.660575 
1 1 1 -9  -4  17 o 232.212 5.1756  6545.73    291.613  6494.92    413.546  6595.98    411.269  231.240 7.3705  233.036 7.2734  -1.795578      10.35503 
1 1 1 -9  -4  18 o 171.403 4.4908  3565.92    186.768  3850.61    265.138  3285.52    263.134  178.078 6.1362  164.482 6.5932  13.59589       9.006792 
1 1 1 -9  -4  19 o 226.584 5.2108  6232.72    286.479  6134.12    406.360  6330.15    403.936  224.707 7.4530  228.276 7.2927  -3.568787      10.42741 
1 1 1 -9  -4  20 o 176.593 4.3811  3785.32    187.724  3594.20    266.967  3972.25    264.021  172.028 6.3958  180.860 6.0163  -8.832275      8.780793 
1 1 1 -9  -4  21 o 205.432 4.8723  5123.61    242.867  5140.26    345.261  5107.30    341.698  205.692 6.9178  205.034 6.8684  0.6584778      9.748323 
1 1 1 -9  -4  22 o 283.687 6.1025  9776.15    420.062  9894.62    595.755  9659.02    592.373  285.220 8.6084  281.799 8.6635  3.420715       12.21314 
1 1 1 -9  -4  23 o 340.528 7.1797  14098.26   593.233  14257.95   840.724  13939.91   837.204  342.090 10.129  338.243 10.201  3.847046       14.37521 
1 1 1 -9  -4  24 o 353.721 7.2592  15219.28   623.039  15264.00   883.083  15174.96   879.149  353.774 10.288  352.743 10.272  1.030426       14.53755 
1 1 1 -9  -4  25 o 201.852 4.8757  4950.10    238.801  5044.42    339.462  4857.71    335.997  203.625 6.8706  199.816 6.9301  3.808792       9.758693 
1 1 1 -9  -4  26 o 110.196 5.2744  1476.01    141.027  1684.81    185.470  1189.82    217.137  117.492 6.5316  98.323  9.2088  19.16906       11.28997 
1 1 1 -9  -4  27 o 131.089 5.5436  2089.62    176.327  2235.14    234.617  1900.76    267.293  135.283 7.1731  124.484 8.9082  10.79848       11.43719 
1 1 1 -9  -4  28 o 172.347 6.1934  3614.38    258.999  3553.74    349.488  3688.26    385.751  170.678 8.4390  173.552 9.1932  -2.873367      12.47923 
1 1 1 -9  -4  29 o 279.665 6.0874  9515.59    413.080  9547.66    586.556  9484.04    581.840  279.736 8.6417  278.810 8.6007  0.9260254      12.19219 
1 1 1 -9  -4  30 f 343.615 7.1199  14379.57   593.626  14349.54   842.024  14409.25   837.025  342.584 10.130  343.318 10.048  -0.7333374     14.26782 
1 1 1 -9  -4  31 o 227.386 5.2963  6286.27    292.216  6249.96    415.562  6321.79    410.987  226.477 7.5622  227.791 7.4358  -1.314087      10.60555 
1 1 1 -9  -4  32 o 183.666 4.3930  4098.70    195.774  3350.47    236.506  5727.42    348.937  165.959 5.8732  216.904 6.6300  -50.94507      8.857325 
1 1 1 -9  -4  33 o 137.598 4.8040  2301.26    160.391  2615.09    307.032  2183.47    188.096  146.116 8.6995  133.974 5.7862  12.14197       10.44803 
1 1 1 -9  -4  34 o 177.859 6.6921  3852.47    288.803  3568.92    441.521  4064.52    381.812  170.354 10.737  182.460 8.6242  -12.10643      13.77132 
1 1 1 -9  -4  35 o 92.015  5.6160  1033.95    124.786  1167.15    208.103  959.169    155.929  97.332  8.9105  88.399  7.3360  8.933281       11.54185 
1 1 1 -9  -4  36 o 128.120 4.6535  1995.78    144.664  1920.80    179.601  2134.29    244.102  125.607 5.8929  132.029 7.6525  -6.421333      9.658568 
1 1 1 -9  -4  37 o 194.990 4.9149  4625.46    232.536  4573.12    331.853  4675.94    325.937  193.599 7.0644  195.795 6.8607  -2.195877      9.847611 
1 1 1 -9  -4  38 o 141.771 4.2835  2444.45    147.351  2350.60    211.338  2533.24    205.553  138.827 6.2739  144.167 5.8762  -5.339233      8.596008 
1 1 1 -9  -4  39 o 7.9540  3.9609  -78.0738   30.352   -61.2850   36.418   -116.2654  54.927   9.9959  4.8447  11.428  5.6248  -1.432474      7.423597 
1 1 1 -9  -4  40 o 51.236  4.5821  322.293    56.364   338.777    77.039   303.305    82.682   52.294  6.1917  49.267  7.1233  3.027000       9.438180 
1 1 1 -9  -4  41 o 111.943 4.0354  1525.90    109.609  1527.01    157.090  1524.86    153.012  111.614 5.8207  111.564 5.6711  0.4969788E-01  8.126591 
1 1 1 -9  -4  42 o 47.665  4.6826  279.845    53.458   259.533    72.343   304.277    79.342   45.503  6.7576  49.333  6.8099  -3.829762      9.593689 
1 1 1 -9  -4  43 o 22.328  6.7605  61.728     39.774   17.545     51.182   129.087    63.196   18.279  7.4099  31.711  8.1644  -13.43197      11.02561 
1 1 1 -9  -4  44 o 134.359 4.2105  2203.05    137.268  2202.74    197.152  2203.35    191.236  133.927 6.0669  133.994 5.8819  -0.6744385E-01 8.450138 
1 1 1 -9  -4  45 o 73.862  5.0437  670.992    89.853   611.436    112.243  777.248    149.926  70.126  6.6772  78.772  7.9530  -8.645576      10.38438 
1 1 1 -9  -4  46 o 126.689 5.6176  1970.75    172.686  2152.44    223.843  1703.66    271.399  131.781 7.0258  116.053 9.7277  15.72749       11.99962 
1 1 1 -9  -4  47 o 111.098 5.2155  1513.79    140.593  1394.51    179.195  1704.77    226.751  105.953 7.0099  116.773 8.0520  -10.82018      10.67581 
1 1 1 -9  -4  48 f 30.939  8.8890  123.013    70.262   123.013    70.262   0.0000     0.0000   30.939  8.8890  ?       ?       0.000000       8.888968 
1 1 1 -9  -4  49 o 75.750  4.2251  704.041    77.348   755.875    112.545  657.642    106.480  78.068  5.9870  72.761  6.0872  5.307152       8.538035 
1 1 1 -9  -4  50 o 79.542  4.1861  776.564    80.508   766.865    116.363  785.469    111.503  78.519  6.1571  79.575  5.8151  -1.056839      8.469073 
1 1 1 -9  -4  51 o 58.305  6.9380  429.095    96.225   577.393    209.324  389.360    108.353  64.627  13.770  55.015  8.3818  9.611858       16.12048 
1 1 1 -9  -4  52 o 31.862  9.0861  133.052    73.678   183.619    196.579  124.787    79.471   39.521  14.952  31.073  9.5850  8.447044       17.76058 
1 1 1 -9  -4  53 o 102.896 4.2784  1300.54    106.819  1319.78    152.549  1282.04    149.624  102.815 6.1430  101.343 6.1134  1.472092       8.666557 
1 1 1 -9  -4  54 o 19.502  7.8001  26.582     55.892   235.865    179.580  4.1345     58.813   41.638  14.495  18.018  7.6703  23.62053       16.39969 
1 1 1 -9  -4  55 o 55.512  6.7119  391.857    88.570   0.0000     0.0000   391.857    88.570   ?       ?       55.512  6.7119  0.000000       6.711881 
1 1 1 -9  -4  56 o 29.010  8.7158  109.989    66.295   0.0000     0.0000   109.989    66.295   ?       ?       29.010  8.7158  0.000000       8.715764 
1 1 1 -9  -4  57 o 63.253  4.6467  496.086    70.817   493.217    96.558   499.426    104.177  62.450  6.4659  62.643  6.9722  -0.1928902     9.508949 
1 1 1 -9  -4  58 f 51.063  5.1822  326.053    63.319   313.293    86.559   340.741    92.866   49.272  7.4747  51.339  7.6919  -2.066383      10.72546 
1 1 1 -9  -4  59 o 24.509  8.1305  74.227     56.410   88.439     63.689   22.492     121.511  26.470  8.6324  25.899  11.025  0.5710583      14.00261 
1 1 1 -9  -4  60 f 28.127  8.0659  104.232    57.903   105.730    65.648   98.983     122.878  28.412  8.7029  30.419  11.744  -2.007759      14.61689 
1 1 1 -9  -3  1  o 361.333 10.497  15874.47   920.283  15778.85   1285.98  15974.85   1317.55  359.862 14.728  362.061 14.998  -2.199371      21.01977 
1 1 1 -9  -3  2  o 254.906 7.8328  7892.71    484.464  7538.15    670.799  8279.29    700.434  248.962 11.104  260.916 11.064  -11.95419      15.67528 
1 1 1 -9  -3  3  f 687.837 18.776  57803.50   3133.67  53955.08   4415.46  61708.97   4448.07  661.902 27.493  708.470 25.875  -46.56720      37.75425 
1 1 1 -9  -3  4  o 133.773 3.6710  2171.63    119.154  2178.29    169.199  2165.08    167.829  133.959 5.2055  133.553 5.1790  0.4066162      7.342990 
1 1 1 -9  -3  5  o 631.209 12.257  48482.63   1877.30  46925.93   2656.14  50036.44   2653.66  619.992 17.656  640.339 17.079  -20.34650      24.56524 
1 1 1 -9  -3  6  o 564.828 11.191  38802.23   1533.79  37751.23   2170.24  39851.03   2167.97  556.385 16.076  571.731 15.628  -15.34521      22.41992 
1 1 1 -9  -3  7  o 635.756 12.399  49187.22   1912.72  47374.70   2706.07  50996.89   2703.94  622.895 17.904  646.420 17.239  -23.52478      24.85475 
1 1 1 -9  -3  8  o 145.819 3.8137  2580.41    134.934  2628.27    191.323  2533.05    190.331  147.144 5.3587  144.453 5.4302  2.691086       7.629093 
1 1 1 -9  -3  9  o 676.147 13.143  55656.07   2156.33  54328.77   3050.67  56981.35   3048.36  666.824 18.855  683.025 18.394  -16.20111      26.34054 
1 1 1 -9  -3  10 f 268.078 8.4080  8731.06    546.912  8035.53    792.473  9363.60    755.735  256.946 12.711  277.466 11.225  -20.51984      16.95801 
1 1 1 -9  -3  11 o 379.783 11.094  17541.52   1022.31  17070.94   1465.86  17987.15   1426.46  374.144 16.147  384.154 15.304  -10.01001      22.24683 
1 1 1 -9  -3  12 o 862.266 23.617  91204.24   4941.09  94362.71   7008.72  88083.28   6966.98  872.455 33.108  842.387 34.085  30.06781       47.51788 
1 1 1 -9  -3  13 o 247.480 5.3882  7434.73    323.556  7284.82    458.701  7583.17    456.462  244.897 7.7194  249.869 7.5288  -4.971924      10.78295 
1 1 1 -9  -3  14 o 652.964 14.768  51953.99   2339.71  50706.21   4040.74  52583.34   2869.74  642.151 25.933  656.204 18.024  -14.05267      31.58148 
1 1 1 -9  -3  15 o 391.728 8.0972  18641.79   769.635  18650.42   1089.74  18633.21   1087.12  391.555 11.470  391.376 11.448  0.1786194      16.20537 
1 1 1 -9  -3  16 o 289.336 6.1550  10164.49   432.112  9703.95    612.245  10621.60   609.957  282.581 8.9293  295.664 8.5023  -13.08243      12.32972 
1 1 1 -9  -3  17 o 227.660 5.3266  6291.81    294.238  6550.38    417.402  6036.40    414.840  232.223 7.4077  222.917 7.6696  9.306503       10.66288 
1 1 1 -9  -3  18 o 394.509 8.1147  18910.65   776.776  18994.77   1100.11  18827.00   1096.95  395.087 11.476  393.336 11.494  1.750580       16.24182 
1 1 1 -9  -3  19 o 375.276 7.7439  17111.10   705.142  16568.95   998.703  17650.04   995.746  368.990 11.155  380.876 10.775  -11.88672      15.50868 
1 1 1 -9  -3  20 o 385.724 7.9205  18081.15   741.298  17966.03   1049.99  18195.56   1046.72  384.160 11.264  386.619 11.158  -2.458588      15.85520 
1 1 1 -9  -3  21 o 281.648 5.9554  9634.28    406.990  9436.43    577.005  9830.17    574.147  278.582 8.5361  284.350 8.3216  -5.768372      11.92117 
1 1 1 -9  -3  22 o 408.474 8.3571  20293.68   828.291  20134.39   1173.09  20452.04   1169.67  406.341 11.898  409.556 11.770  -3.215057      16.73632 
1 1 1 -9  -3  23 o 127.843 3.8786  1984.14    120.314  2032.89    170.992  1936.35    169.321  129.362 5.4476  126.251 5.5273  3.111313       7.760611 
1 1 1 -9  -3  24 o 46.031  4.3219  259.577    47.706   241.381    66.571   278.786    68.398   44.100  6.4089  47.506  6.0727  -3.406158      8.829048 
1 1 1 -9  -3  25 o 27.213  7.5760  92.757     51.867   97.119     63.912   84.342     88.770   28.185  8.5779  28.479  10.167  -0.2940102     13.30222 
1 1 1 -9  -3  26 o 303.846 9.2962  11269.35   685.367  11837.06   949.744  10652.47   990.022  310.612 12.602  294.315 13.863  16.29694       18.73476 
1 1 1 -9  -3  27 o 275.402 8.5022  9252.56    568.147  9307.92    784.247  9191.41    824.203  275.542 11.730  273.642 12.413  1.900513       17.07879 
1 1 1 -9  -3  28 o 252.060 5.6498  7726.91    345.543  7636.76    490.502  7815.72    486.862  250.266 8.0775  253.205 7.9245  -2.939117      11.31558 
1 1 1 -9  -3  29 f 183.184 4.6628  4077.77    207.252  4007.17    294.780  4146.78    291.444  181.433 6.6961  184.584 6.5073  -3.150925      9.337101 
1 1 1 -9  -3  30 o 46.957  4.2803  270.091    48.232   252.105    68.562   287.713    67.864   45.061  6.4552  48.276  5.9175  -3.214973      8.757092 
1 1 1 -9  -3  31 o 253.446 5.6937  7812.36    350.141  7829.48    496.807  7795.47    493.558  253.405 8.0799  252.859 8.0444  0.5455017      11.40168 
1 1 1 -9  -3  32 o 225.742 5.2308  6195.73    286.512  6143.50    407.695  6246.69    402.728  224.536 7.4832  226.433 7.3301  -1.897949      10.47511 
1 1 1 -9  -3  33 o 118.370 6.1533  1709.73    176.124  1737.76    283.582  1692.14    224.717  118.798 9.9291  117.535 7.9259  1.262466       12.70457 
1 1 1 -9  -3  34 o 209.812 7.2914  5365.37    371.199  5660.09    565.121  5141.72    492.292  214.624 10.887  204.996 9.8972  9.628159       14.71360 
1 1 1 -9  -3  35 o 131.239 6.1926  2097.14    197.198  2537.01    326.068  1843.48    247.613  143.710 9.4028  122.583 8.3750  21.12717       12.59180 
1 1 1 -9  -3  36 f 157.265 4.4723  3006.85    170.658  3195.54    244.802  2828.46    238.033  161.964 6.2292  152.357 6.4389  9.607681       8.958908 
1 1 1 -9  -3  37 o 153.101 4.3581  2850.29    161.897  2939.28    232.300  2766.25    225.753  155.295 6.1649  150.653 6.1758  4.641403       8.726215 
1 1 1 -9  -3  38 o 206.676 5.1009  5201.67    255.798  5156.54    365.543  5244.97    358.078  205.367 7.3357  207.166 7.1235  -1.798996      10.22532 
1 1 1 -9  -3  39 o 92.972  3.9904  1051.54    90.018   994.201    127.024  1109.39    127.588  90.074  5.8435  95.214  5.5466  -5.139885      8.056758 
1 1 1 -9  -3  40 o 67.401  4.1997  555.252    68.341   590.523    95.031   517.473    98.352   69.307  5.7016  64.741  6.3424  4.566124       8.528416 
1 1 1 -9  -3  41 o 76.705  4.2480  719.069    78.755   773.762    117.714  674.752    105.962  79.266  6.1689  74.030  5.9493  5.236404       8.570275 
1 1 1 -9  -3  42 o 105.053 4.0055  1344.85    102.102  1304.59    144.675  1384.81    144.113  103.058 5.8093  106.232 5.6108  -3.174210      8.076488 
1 1 1 -9  -3  43 o 58.056  4.5094  413.941    63.024   348.893    91.829   471.864    86.654   52.693  7.3851  61.767  5.8516  -9.074001      9.422357 
1 1 1 -9  -3  44 o 157.911 4.4437  3045.84    170.261  3025.24    244.546  3065.21    237.194  156.798 6.4277  157.910 6.1906  -1.112671      8.924048 
1 1 1 -9  -3  45 f 72.456  5.1161  646.207    89.367   702.690    110.801  541.061    151.175  75.347  6.1132  64.952  9.9059  10.39568       11.64038 
1 1 1 -9  -3  46 o 96.191  5.1900  1137.50    120.686  1135.91    152.737  1140.14    196.906  95.734  6.6159  95.221  8.6157  0.5120926      10.86279 
1 1 1 -9  -3  47 o 54.414  5.9056  368.440    76.720   368.440    76.720   0.0000     0.0000   54.414  5.9056  ?       ?       0.000000       5.905562 
1 1 1 -9  -3  48 o 46.335  7.7762  274.061    84.329   274.061    84.329   0.0000     0.0000   46.335  7.7762  ?       ?       0.000000       7.776243 
1 1 1 -9  -3  49 o 24.641  7.2199  76.960     45.948   72.905     67.597   80.443     62.647   25.346  8.8894  25.834  8.5681  -0.4877586     12.34641 
1 1 1 -9  -3  50 o 51.390  6.3572  331.930    77.580   505.526    211.243  304.865    83.409   60.138  14.619  48.967  7.2383  11.17085       16.31289 
1 1 1 -9  -3  51 o 23.944  8.5003  64.271     61.968   -297.9077  181.911  111.816    65.910   21.735  10.600  29.414  8.6553  -7.678923      13.68518 
1 1 1 -9  -3  52 o 80.140  4.7609  793.263    92.162   874.875    119.138  671.655    145.431  83.788  5.8978  72.334  8.4451  11.45348       10.30061 
1 1 1 -9  -3  53 o 38.616  6.0246  189.589    54.608   218.406    79.603   163.974    75.051   40.782  8.3261  35.150  8.8154  5.632603       12.12582 
1 1 1 -9  -3  54 o 61.602  5.9521  476.692    87.858   436.394    256.338  482.056    93.523   53.417  17.312  61.816  6.3243  -8.398411      18.43136 
1 1 1 -9  -3  55 o 29.679  8.8699  115.493    68.795   0.0000     0.0000   115.493    68.795   ?       ?       29.679  8.8699  0.000000       8.869935 
1 1 1 -9  -3  56 o 25.643  7.8140  84.450     53.011   27.850     69.153   165.104    82.550   21.137  8.5967  35.064  9.4769  -13.92714      12.79515 
1 1 1 -9  -3  57 o 34.926  6.8670  158.193    56.120   145.964    74.654   174.082    85.100   33.095  9.0407  35.980  9.5782  -2.884766      13.17099 
1 1 1 -9  -3  58 o 30.482  7.3769  122.011    53.973   108.417    70.838   140.824    83.332   28.930  9.0702  32.547  9.7702  -3.616932      13.33140 
1 1 1 -9  -3  59 o 36.100  7.5911  171.273    64.384   214.030    73.577   31.531     133.017  40.389  7.7901  27.272  11.570  13.11737       13.94823 
1 1 1 -9  -3  60 o 26.152  7.3389  89.691     48.468   85.035     61.174   97.544     79.440   25.886  8.4611  27.969  9.6464  -2.082613      12.83131 
1 1 1 -9  -2  1  o 653.748 17.913  52181.09   2841.49  49290.80   4000.55  55123.74   4036.63  633.157 26.040  669.977 24.831  -36.81976      35.98154 
1 1 1 -9  -2  2  o 386.573 10.880  18172.73   1020.52  16263.79   1426.32  20175.00   1460.77  365.196 16.096  406.906 14.795  -41.71085      21.86305 
1 1 1 -9  -2  3  o 498.432 9.7572  30197.51   1180.04  29608.36   1669.31  30785.97   1668.33  493.057 13.953  502.805 13.675  -9.748077      19.53694 
1 1 1 -9  -2  4  o 691.073 13.555  58153.64   2272.95  58319.66   3215.19  57987.77   3213.68  690.792 19.182  688.811 19.228  1.980591       27.16018 
1 1 1 -9  -2  5  o 348.263 7.3605  14730.59   621.984  14665.70   880.511  14795.21   878.727  347.304 10.449  348.839 10.382  -1.535004      14.72930 
1 1 1 -9  -2  6  o 352.730 7.4934  15111.45   641.333  15477.05   907.946  14747.40   906.020  356.779 10.488  348.250 10.722  8.528778       14.99884 
1 1 1 -9  -2  7  o 699.523 13.821  59593.05   2345.83  59439.91   3318.49  59746.02   3316.50  697.278 19.614  699.088 19.552  -1.810181      27.69452 
1 1 1 -9  -2  8  o 500.165 9.7997  30408.33   1189.29  29741.40   1682.95  31073.60   1680.87  494.152 14.036  505.143 13.714  -10.99097      19.62345 
1 1 1 -9  -2  9  o 392.294 11.221  18717.43   1068.08  19408.83   1530.08  18060.35   1491.63  398.983 15.805  384.853 15.974  14.13007       22.47123 
1 1 1 -9  -2  10 o 639.529 17.840  49933.34   2768.30  49625.57   3934.86  50234.96   3895.39  635.470 25.519  639.491 25.105  -4.021545      35.79772 
1 1 1 -9  -2  11 o 574.232 16.071  40209.47   2239.23  40199.96   3186.83  40218.75   3147.04  572.653 22.935  572.862 22.641  -0.2093506     32.22766 
1 1 1 -9  -2  12 o 1017.97 28.695  127775.90  7087.59  120118.40  10043.79 135371.50  10003.07 977.776 42.334  1040.21 39.632  -62.43896      57.99055 
1 1 1 -9  -2  13 o 678.369 13.244  56025.30   2179.98  55053.92   3084.13  56995.22   3081.79  671.241 18.936  683.060 18.594  -11.81891      26.53910 
1 1 1 -9  -2  14 o 323.962 6.8571  12744.81   539.010  12284.40   763.178  13203.04   761.375  317.893 9.8942  329.589 9.5205  -11.69589      13.73082 
1 1 1 -9  -2  15 o 817.612 15.938  81525.28   3161.90  80070.71   4472.95  82978.09   4470.26  808.086 22.812  822.786 22.391  -14.69934      31.96539 
1 1 1 -9  -2  16 o 366.777 7.4589  16339.89   663.807  16459.55   940.047  16220.88   937.488  367.902 10.531  365.221 10.579  2.681122       14.92681 
1 1 1 -9  -2  17 o 182.453 4.5471  4040.49    201.304  4023.68    285.935  4057.00    283.454  182.030 6.4738  182.785 6.3912  -0.7543335     9.097095 
1 1 1 -9  -2  18 o 657.426 12.771  52636.18   2037.28  51943.40   2882.64  53327.52   2879.65  651.800 18.227  660.499 17.968  -8.698975      25.59439 
1 1 1 -9  -2  19 o 493.235 9.8062  29587.01   1173.59  29975.10   1661.32  29200.43   1658.11  495.866 13.808  489.390 13.963  6.476135       19.63754 
1 1 1 -9  -2  20 o 596.111 11.947  43284.64   1728.02  43585.96   2445.45  42984.14   2442.14  596.989 16.882  592.826 16.978  4.162720       23.94261 
1 1 1 -9  -2  21 o 353.730 7.5476  15208.18   647.809  14932.93   917.663  15481.61   914.624  350.177 10.800  356.581 10.571  -6.403290      15.11266 
1 1 1 -9  -2  22 o 408.925 8.3661  20342.19   830.106  20573.93   1175.58  20111.73   1172.32  410.699 11.797  406.041 11.899  4.658447       16.75566 
1 1 1 -9  -2  23 o 128.037 3.7814  1990.20    117.476  1907.38    167.008  2071.31    165.276  125.298 5.4932  130.581 5.2164  -5.282623      7.575368 
1 1 1 -9  -2  24 o 283.360 6.2835  9762.82    432.018  9893.23    612.656  9633.84    609.291  284.933 8.8615  281.164 8.9310  3.769836       12.58135 
1 1 1 -9  -2  25 o 93.090  5.0649  1056.21    113.974  935.142    147.921  1233.09    178.800  87.373  7.0370  100.367 7.3940  -12.99358      10.20738 
1 1 1 -9  -2  26 o 56.107  5.3366  386.158    71.776   366.523    92.117   416.500    114.513  54.400  7.1521  57.849  8.4041  -3.448746      11.03550 
1 1 1 -9  -2  27 o 319.624 9.4707  12479.66   734.487  11932.11   1018.09  13073.96   1060.66  311.441 13.472  326.024 13.408  -14.58292      19.00736 
1 1 1 -9  -2  28 o 249.691 5.6582  7582.24    342.802  7803.89    486.615  7363.88    482.996  253.019 7.9262  245.757 8.0998  7.262375       11.33280 
1 1 1 -9  -2  29 o 255.397 5.7202  7932.95    354.476  7679.04    503.052  8183.36    499.576  250.941 8.2618  259.100 7.9464  -8.158920      11.46313 
1 1 1 -9  -2  30 o 134.727 4.0111  2204.82    131.125  2150.26    186.338  2258.35    184.553  132.963 5.7757  136.275 5.5814  -3.312393      8.031851 
1 1 1 -9  -2  31 o 29.446  6.7649  109.788    47.318   61.879     62.066   176.280    73.119   24.128  8.5133  37.294  8.2947  -13.16625      11.88605 
1 1 1 -9  -2  32 o 223.088 5.2594  6051.25    284.693  6103.12    405.233  6000.71    400.052  223.793 7.4627  221.911 7.4297  1.881363       10.53054 
1 1 1 -9  -2  33 o 156.388 6.4721  2977.54    245.592  2940.22    388.427  3002.40    316.998  154.636 10.413  156.636 8.3710  -1.999557      13.36042 
1 1 1 -9  -2  34 o 167.022 6.6273  3397.69    268.580  3633.62    421.270  3236.12    348.620  171.981 10.140  162.513 8.8746  9.468277       13.47513 
1 1 1 -9  -2  35 o 128.130 6.2273  1999.35    193.605  2040.16    320.380  1975.88    242.992  128.599 10.355  126.984 7.9260  1.614525       13.04041 
1 1 1 -9  -2  36 o 208.527 5.1186  5290.79    258.987  5177.22    369.260  5400.75    363.338  205.953 7.3892  210.398 7.1171  -4.445084      10.25934 
1 1 1 -9  -2  37 o 178.426 4.8306  3874.02    209.132  3555.84    298.842  4179.39    292.766  170.624 7.2183  185.096 6.5187  -14.47104      9.726121 
1 1 1 -9  -2  38 o 165.826 4.5833  3347.00    184.414  3354.72    263.416  3339.58    258.262  165.736 6.5503  165.381 6.4359  0.3555450      9.183000 
1 1 1 -9  -2  39 o 119.074 4.0887  1725.52    118.132  1638.05    168.785  1809.50    165.395  115.652 6.0357  121.773 5.5977  -6.121025      8.231837 
1 1 1 -9  -2  40 o 99.048  3.9287  1194.26    94.419   1162.40    135.273  1224.54    131.851  97.364  5.7515  99.993  5.4550  -2.629509      7.926929 
1 1 1 -9  -2  41 o 112.143 4.3306  1533.07    117.837  1632.83    187.706  1468.19    151.385  115.152 6.7475  109.404 5.7227  5.747711       8.847474 
1 1 1 -9  -2  42 f 81.698  3.8621  813.287    76.559   737.742    108.553  888.053    107.991  77.385  5.8240  85.054  5.2585  -7.669518      7.846681 
1 1 1 -9  -2  43 o 158.870 4.4988  3082.37    173.420  2979.22    248.257  3180.68    242.355  155.609 6.5751  160.906 6.2075  -5.297012      9.042388 
1 1 1 -9  -2  44 o 22.391  6.6411  62.677     38.674   72.998     52.827   50.758     56.773   24.508  7.8505  22.247  8.1057  2.261198       11.28416 
1 1 1 -9  -2  45 o 77.097  5.1677  731.573    96.112   752.953    118.291  690.041    164.870  77.951  6.3082  73.645  9.4440  4.306198       11.35704 
1 1 1 -9  -2  46 o 27.577  7.9528  96.756     56.147   96.756     56.147   0.0000     0.0000   27.577  7.9528  ?       ?       0.000000       7.952832 
1 1 1 -9  -2  47 o 83.272  5.8911  857.658    118.263  857.658    118.263  0.0000     0.0000   83.272  5.8911  ?       ?       0.000000       5.891124 
1 1 1 -9  -2  48 o 28.242  7.2096  102.801    49.574   139.071    75.403   75.188     65.792   32.743  9.1414  25.483  8.7793  7.260571       12.67440 
1 1 1 -9  -2  49 o 17.841  6.8955  26.265     42.402   -18.3524   62.723   63.815     57.542   17.158  7.6005  23.629  8.2064  -6.471436      11.18539 
1 1 1 -9  -2  50 o 69.873  6.5896  611.607    110.402  493.375    226.885  648.286    126.372  58.800  15.633  71.679  7.3711  -12.87896      17.28358 
1 1 1 -9  -2  51 o 62.315  6.7413  489.382    100.306  612.236    218.558  456.600    112.898  66.184  14.045  59.723  7.9911  6.460514       16.15885 
1 1 1 -9  -2  52 o 15.093  6.4760  -0.8930    42.522   -31.0483   67.029   19.415     55.006   16.955  7.6568  18.782  7.6562  -1.827391      10.82793 
1 1 1 -9  -2  53 o 17.483  6.7266  26.522     40.209   -211.8211  81.123   104.149    46.297   12.736  6.3632  28.278  6.8253  -15.54170      9.331413 
1 1 1 -9  -2  54 o 24.624  8.5764  71.531     62.868   0.0000     0.0000   71.531     62.868   ?       ?       24.624  8.5764  0.000000       8.576365 
1 1 1 -9  -2  55 o 57.549  4.6828  411.247    64.822   485.845    92.060   337.893    91.289   62.077  6.1947  51.159  7.5839  10.91804       9.792310 
1 1 1 -9  -2  56 o 11.131  5.3490  -60.2953   42.149   -40.4291   50.991   -103.1520  74.894   13.809  6.3992  14.839  7.1309  -1.030128      9.581137 
1 1 1 -9  -2  57 o 21.366  7.5553  51.659     48.908   49.196     60.627   56.249     82.762   22.146  8.3202  24.740  9.6136  -2.594028      12.71404 
1 1 1 -9  -2  58 o 27.327  8.4134  96.554     61.263   62.529     67.978   243.713    141.372  24.042  8.8528  41.671  12.773  -17.62857      15.54059 
1 1 1 -9  -2  59 o 62.814  5.9696  497.548    89.890   543.211    106.500  384.443    167.615  65.290  6.8235  51.503  13.315  13.78635       14.96145 
1 1 1 -9  -1  1  f 852.155 23.487  89064.88   4856.41  87845.14   6847.29  90299.47   6888.89  841.575 33.532  853.397 33.269  -11.82166      47.23565 
1 1 1 -9  -1  2  o 483.059 10.967  28377.49   1285.48  27919.64   2212.94  28610.67   1579.26  477.989 19.080  484.750 13.427  -6.761566      23.33113 
1 1 1 -9  -1  3  o 289.076 6.3693  10146.38   446.751  10285.34   631.556  10007.21   632.048  290.935 8.9465  286.967 9.0772  3.967377       12.74504 
1 1 1 -9  -1  4  o 1021.33 19.993  127563.40  4954.52  126846.70  7006.32  128280.30  7007.18  1014.32 28.468  1020.13 28.309  -5.806152      40.14729 
1 1 1 -9  -1  5  o 503.443 10.124  30812.48   1236.66  30175.12   1748.57  31450.33   1749.24  497.675 14.480  508.125 14.188  -10.44971      20.27233 
1 1 1 -9  -1  6  o 1026.81 20.102  128948.40  5008.38  127705.60  7082.85  130191.30  7082.99  1017.62 28.685  1027.64 28.406  -10.01733      40.37006 
1 1 1 -9  -1  7  o 301.552 6.6086  11041.76   483.544  10944.22   684.034  11139.19   683.637  300.084 9.3944  302.750 9.3063  -2.666138      13.22357 
1 1 1 -9  -1  8  o 495.164 9.8102  29803.37   1178.67  29383.82   1667.35  30222.45   1666.44  491.181 13.990  498.168 13.786  -6.987976      19.64146 
1 1 1 -9  -1  9  o 841.363 23.308  86809.35   4758.35  86593.07   6750.17  87022.98   6708.65  835.684 33.290  837.914 32.997  -2.230103      46.87202 
1 1 1 -9  -1  10 o 114.055 5.3245  1579.08    147.353  1040.24    224.572  1986.46    195.265  91.936  10.241  127.909 6.2916  -35.97326      12.01937 
1 1 1 -9  -1  11 f 184.512 6.5679  4133.82    294.044  3516.12    434.408  4656.15    399.467  169.723 10.602  195.768 8.4096  -26.04494      13.53201 
1 1 1 -9  -1  12 o 187.614 6.3147  4273.75    287.461  4944.32    425.393  3710.19    389.975  201.725 8.6909  174.485 9.2442  27.24069       12.68805 
1 1 1 -9  -1  13 o 620.867 12.198  46905.10   1837.56  47100.39   2599.65  46710.09   2597.76  621.239 17.246  618.646 17.306  2.592102       24.43198 
1 1 1 -9  -1  14 o 606.566 11.971  44766.11   1761.81  44680.62   2492.60  44851.47   2490.55  605.102 16.977  606.267 16.930  -1.165466      23.97614 
1 1 1 -9  -1  15 o 132.372 3.8372  2126.46    123.245  2036.68    174.999  2214.80    173.600  129.525 5.5682  135.075 5.2968  -5.549591      7.685105 
1 1 1 -9  -1  16 f 300.040 6.4031  10931.37   466.159  11266.34   660.365  10598.65   658.138  304.476 8.9386  295.301 9.1852  9.174194       12.81661 
1 1 1 -9  -1  17 o 276.763 6.0635  9300.56    407.188  9166.99    577.125  9432.95    574.584  274.650 8.6602  278.614 8.4994  -3.964294      12.13416 
1 1 1 -9  -1  18 o 681.960 13.460  56668.65   2227.29  57705.09   3151.33  55634.16   3148.39  686.716 18.913  674.179 19.246  12.53748       26.98355 
1 1 1 -9  -1  19 o 130.048 3.9383  2052.68    124.272  2233.35    176.622  1875.54    174.886  135.627 5.3670  124.281 5.7994  11.34650       7.901811 
1 1 1 -9  -1  20 f 505.736 10.284  31127.29   1261.94  30489.73   1786.11  31762.78   1783.19  499.710 14.731  510.106 14.407  -10.39645      20.60479 
1 1 1 -9  -1  21 f 193.707 4.7949  4555.85    225.366  4646.13    320.134  4467.15    317.317  195.540 6.7473  191.734 6.8207  3.806519       9.594208 
1 1 1 -9  -1  22 o 294.216 6.2901  10519.33   449.041  10530.17   636.419  10508.58   633.670  294.122 8.9177  293.823 8.8882  0.2984009      12.59067 
1 1 1 -9  -1  23 o 239.107 5.3623  6946.25    311.103  6973.15    441.543  6919.73    438.405  239.393 7.6015  238.477 7.5764  0.9164429      10.73241 
1 1 1 -9  -1  24 o 230.851 6.2759  6480.79    351.537  6526.83    427.262  6384.31    618.490  231.541 7.6051  228.542 11.153  2.998749       13.49936 
1 1 1 -9  -1  25 o 346.348 10.310  14660.45   866.425  15011.07   1205.43  14285.70   1246.21  349.313 14.222  340.475 15.085  8.838470       20.73212 
1 1 1 -9  -1  26 o 131.468 5.6445  2101.93    180.056  2428.85    239.021  1673.02    273.777  141.233 6.9749  116.612 9.7658  24.62177       12.00083 
1 1 1 -9  -1  27 f 245.448 7.8224  7343.29    465.869  7383.00    639.424  7298.36    680.136  245.605 10.730  244.037 11.486  1.568024       15.71814 
1 1 1 -9  -1  28 o 81.582  3.6548  808.284    72.347   834.930    102.739  782.075    101.894  82.716  5.1444  80.032  5.2767  2.684372       7.369474 
1 1 1 -9  -1  29 o 186.065 4.6235  4206.89    208.734  4045.82    296.548  4365.05    293.861  182.306 6.7039  189.391 6.3947  -7.084625      9.264685 
1 1 1 -9  -1  30 o 240.749 5.5774  7048.42    325.807  6947.73    463.463  7146.79    458.104  238.725 8.0012  242.150 7.7968  -3.425385      11.17179 
1 1 1 -9  -1  31 o 176.652 4.4295  3791.73    189.861  3711.01    269.888  3870.82    267.140  174.619 6.3698  178.356 6.1729  -3.737244      8.870113 
1 1 1 -9  -1  32 o 47.396  7.0356  279.523    78.454   263.220    189.064  282.915    86.229   46.582  14.844  47.572  7.7361  -0.9899330     16.73913 
1 1 1 -9  -1  33 o 80.180  6.7615  788.515    130.318  794.585    227.755  785.561    158.900  79.541  12.189  79.805  8.3287  -0.2633667     14.76301 
1 1 1 -9  -1  34 o 289.891 7.3457  10246.56   516.694  18466.59   773.843  3633.76    694.079  388.931 8.2001  169.999 17.057  218.9317       18.92543 
1 1 1 -9  -1  35 o 100.055 4.0079  1216.56    97.302   1214.11    138.989  1218.91    136.262  99.700  5.7701  99.912  5.6438  -0.2121429     8.071311 
1 1 1 -9  -1  36 o 170.314 4.5499  3527.76    188.024  3336.69    269.152  3709.88    262.773  165.400 6.7065  174.471 6.2072  -9.070770      9.138191 
1 1 1 -9  -1  37 o 121.392 4.0999  1792.01    120.761  2106.95    173.258  1494.45    168.409  131.510 5.4296  110.501 6.3072  21.00909       8.322380 
1 1 1 -9  -1  38 o 95.007  3.9223  1097.91    90.419   1161.13    129.551  1037.88    126.256  97.428  5.5027  92.070  5.6793  5.358795       7.907847 
1 1 1 -9  -1  39 o 96.988  3.8475  1144.62    90.545   1244.30    129.688  1049.82    126.472  100.849 5.3186  92.556  5.6587  8.293098       7.765891 
1 1 1 -9  -1  40 o 63.529  4.2889  493.978    65.725   476.081    100.194  507.496    87.077   61.951  6.7759  64.193  5.6480  -2.241741      8.821149 
1 1 1 -9  -1  41 o 102.724 4.0063  1285.81    99.859   1408.83    142.911  1168.45    139.591  107.179 5.5140  97.497  5.9288  9.682205       8.096594 
1 1 1 -9  -1  42 o 53.428  4.3229  350.552    55.561   407.382    78.379   293.152    78.771   57.385  5.7047  48.335  6.9135  9.050819       8.963228 
1 1 1 -9  -1  43 o 160.648 4.5506  3153.16    177.381  3119.50    253.712  3185.34    248.090  159.185 6.5687  160.931 6.3534  -1.746338      9.138537 
1 1 1 -9  -1  44 o 119.064 5.3321  1737.86    154.045  1469.41    197.141  2158.77    246.851  108.685 7.5218  131.730 7.7572  -23.04523      10.80518 
1 1 1 -9  -1  45 o 12.799  5.9462  -38.8785   44.452   -38.8785   44.452   0.0000     0.0000   12.799  5.9462  ?       ?       0.000000       5.946178 
1 1 1 -9  -1  46 o 94.065  6.6522  1097.97    150.852  1097.97    150.852  0.0000     0.0000   94.065  6.6522  ?       ?       0.000000       6.652218 
1 1 1 -9  -1  47 o 49.133  5.3732  299.957    63.014   278.898    87.265   322.902    91.089   46.698  7.9888  50.413  7.6901  -3.715275      11.08865 
1 1 1 -9  -1  48 o 46.688  5.2273  271.091    58.200   218.699    85.941   315.474    79.100   40.955  8.9024  50.051  6.6800  -9.096359      11.12990 
1 1 1 -9  -1  49 f 20.721  7.3351  47.207     46.112   76.985     72.204   26.696     59.925   26.027  9.1824  20.140  8.0689  5.887550       12.22393 
1 1 1 -9  -1  50 o 33.546  8.8564  147.859    73.149   35.865     192.415  166.780    79.087   32.384  13.832  35.559  9.1218  -3.175346      16.56893 
1 1 1 -9  -1  51 o 89.758  6.4768  1008.44    140.110  865.699    270.678  1060.69    163.755  78.322  14.785  91.626  7.4296  -13.30410      16.54680 
1 1 1 -9  -1  52 o 64.344  4.5588  512.025    70.714   403.225    102.409  611.178    97.763   56.030  7.7394  69.931  5.8143  -13.90096      9.680130 
1 1 1 -9  -1  53 o 77.309  6.1836  750.207    115.023  0.0000     0.0000   750.207    115.023  ?       ?       77.309  6.1836  0.000000       6.183617 
1 1 1 -9  -1  54 o 74.049  6.2835  690.057    111.832  0.0000     0.0000   690.057    111.832  ?       ?       74.049  6.2835  0.000000       6.283525 
1 1 1 -9  -1  55 o 103.885 4.8098  1332.99    121.241  1341.92    155.081  1318.95    194.440  103.455 6.2066  101.519 7.9573  1.936684       10.09161 
1 1 1 -9  -1  56 o 69.377  4.6320  596.094    77.526   513.093    104.692  696.869    115.358  63.545  6.9009  74.350  6.4586  -10.80513      9.451817 
1 1 1 -9  -1  57 o 21.968  7.5855  56.572     49.129   -10.1325   62.761   162.127    78.950   17.547  7.6942  34.787  9.2090  -17.23960      12.00028 
1 1 1 -9  -1  58 o 18.669  7.7387  15.381     57.434   38.282     64.440   -73.0963   126.663  21.460  8.4414  22.130  10.195  -0.6694889     13.23607 
1 1 1 -9  -1  59 o 40.775  7.1914  216.588    68.550   238.983    77.653   137.513    145.915  42.646  7.7914  33.920  12.870  8.726273       15.04496 
1 1 1 -9  0   1  o 597.354 16.791  43533.75   2433.70  44481.54   3421.68  42563.35   3462.22  602.237 23.416  588.884 24.230  13.35315       33.69581 
1 1 1 -9  0   2  o 384.821 7.6783  17987.15   716.944  18616.38   1013.38  17356.59   1014.45  391.280 10.674  377.777 11.067  13.50317       15.37561 
1 1 1 -9  0   3  o 135.179 4.4048  2217.79    144.479  2353.04    241.218  2142.13    180.422  139.010 7.1760  132.837 5.5976  6.172928       9.101038 
1 1 1 -9  0   4  o 286.672 6.2414  9978.01    434.145  9851.42    613.978  10104.60   613.969  284.734 8.8869  288.375 8.7746  -3.641296      12.48878 
1 1 1 -9  0   5  o 284.082 6.1895  9798.42    426.642  9746.55    603.205  9850.35    603.520  283.220 8.7776  284.726 8.7358  -1.506226      12.38389 
1 1 1 -9  0   6  o 128.325 3.8496  1998.42    119.865  1974.18    169.325  2022.77    169.706  127.525 5.4722  129.086 5.4182  -1.560493      7.700741 
1 1 1 -9  0   7  o 392.987 7.8588  18759.67   749.370  17801.60   1059.44  19718.94   1060.10  382.559 11.413  402.685 10.850  -20.12552      15.74740 
1 1 1 -9  0   8  o 585.793 16.602  41859.98   2359.75  39869.97   3357.30  43803.00   3317.43  569.932 24.277  597.772 22.872  -27.83972      33.35439 
1 1 1 -9  0   9  o 632.752 18.163  48891.36   2788.56  43797.15   3964.17  53881.30   3923.39  596.416 27.393  662.526 24.406  -66.10968      36.68815 
1 1 1 -9  0   10 o 500.374 14.129  30495.56   1715.47  30569.42   2446.88  30424.16   2405.72  499.960 20.170  498.828 19.876  1.131561       28.31785 
1 1 1 -9  0   11 o 51.919  5.1588  330.435    64.129   346.024    105.731  321.363    80.658   52.693  8.5637  51.011  6.6769  1.682198       10.85894 
1 1 1 -9  0   12 o 395.427 8.2764  18995.87   794.096  18872.86   1123.47  19118.69   1122.57  393.872 11.756  396.437 11.670  -2.564728      16.56456 
1 1 1 -9  0   13 o 213.441 5.0711  5529.85    262.631  5398.97    371.918  5660.02    370.916  210.842 7.2698  215.886 7.0809  -5.043045      10.14838 
1 1 1 -9  0   14 o 183.350 4.6482  4080.27    206.792  4137.65    293.179  4023.47    291.723  184.595 6.5456  182.029 6.6049  2.566315       9.298917 
1 1 1 -9  0   15 o 37.327  4.5208  171.590    40.111   227.304    57.054   117.144    56.402   42.906  5.6151  30.463  7.6432  12.44306       9.484102 
1 1 1 -9  0   16 o 710.145 13.894  61441.35   2394.04  59998.16   3386.78  62882.68   3384.59  700.196 19.934  716.977 19.455  -16.78101      27.85475 
1 1 1 -9  0   17 f 654.182 12.693  52113.56   2014.82  51721.79   2850.62  52504.65   2848.15  650.480 18.061  655.425 17.909  -4.945557      25.43500 
1 1 1 -9  0   18 f 1192.77 23.419  174971.80  6777.79  171405.09  9586.77  178536.20  9583.72  1172.06 33.710  1196.89 33.000  -24.82275      47.17377 
1 1 1 -9  0   19 o 171.745 4.3475  3580.40    181.173  3469.39    257.516  3689.20    254.937  169.014 6.2794  174.293 6.0282  -5.279312      8.704604 
1 1 1 -9  0   20 o 110.947 3.6790  1494.01    99.039   1471.67    140.856  1515.84    139.282  110.090 5.2731  111.732 5.1375  -1.642380      7.362001 
1 1 1 -9  0   21 o 137.788 3.9862  2304.71    133.270  2240.40    189.484  2367.67    187.476  135.807 5.7502  139.618 5.5340  -3.810745      7.980621 
1 1 1 -9  0   22 o 95.364  3.7157  1104.03    85.978   1110.03    122.825  1098.26    120.394  95.443  5.3249  94.940  5.2466  0.5028687      7.475366 
1 1 1 -9  0   23 o 254.951 5.8244  7900.59    360.307  7911.68    510.987  7889.63    508.126  254.888 8.2622  254.537 8.2273  0.3514099      11.65988 
1 1 1 -9  0   24 o 332.363 9.7929  13484.93   789.748  12962.30   1097.20  14046.78   1137.64  324.837 13.921  338.170 13.865  -13.33249      19.64710 
1 1 1 -9  0   25 o 66.057  5.2874  533.854    84.038   574.864    107.243  468.604    135.275  68.420  6.5395  61.258  9.4014  7.162342       11.45214 
1 1 1 -9  0   26 o 201.640 6.7988  4950.23    332.636  4799.89    452.042  5127.75    491.236  198.235 9.3980  204.820 9.8845  -6.585220      13.63908 
1 1 1 -9  0   27 o 34.556  5.2287  148.432    42.471   201.778    59.652   93.593     60.482   40.240  6.3175  27.610  8.3316  12.63003       10.45592 
1 1 1 -9  0   28 o 43.570  4.4786  233.082    46.673   205.272    67.288   258.868    64.794   40.468  7.1123  45.745  5.9807  -5.276913      9.292618 
1 1 1 -9  0   29 o 235.245 5.5453  6729.50    316.525  6797.62    449.576  6662.54    445.716  236.158 7.8458  233.799 7.8569  2.359680       11.10348 
1 1 1 -9  0   30 o ?       ?       -222.3306  15.931   -263.4620  18.111   -81.6642   33.493   ?       ?       8.5220  4.2299  0.000000       4.229919 
1 1 1 -9  0   31 o 153.414 4.4458  2859.87    165.494  2787.77    235.908  2929.74    232.223  151.339 6.4243  155.164 6.1681  -3.825363      8.906013 
1 1 1 -9  0   32 o 231.995 7.6832  6561.73    432.496  6802.60    648.244  6368.50    580.612  235.536 11.343  228.071 10.492  7.464508       15.45108 
1 1 1 -9  0   33 o 110.978 5.9352  1503.11    159.242  1281.17    264.507  1629.29    199.434  101.665 10.892  115.404 7.1575  -13.73933      13.03341 
1 1 1 -9  0   34 o 72.345  6.1956  641.968    107.708  498.075    194.980  705.159    129.212  62.395  13.286  75.723  7.1160  -13.32803      15.07186 
1 1 1 -9  0   35 o 335.304 7.2297  13718.32   588.195  13647.50   834.883  13788.11   828.818  333.450 10.319  335.211 10.190  -1.761597      14.50226 
1 1 1 -9  0   36 o 73.991  4.0017  667.491    71.576   510.265    100.582  828.795    101.878  64.351  6.5322  82.356  5.1236  -18.00495      8.301847 
1 1 1 -9  0   37 f 134.484 4.1032  2199.86    133.893  2319.05    191.176  2085.11    187.581  137.912 5.7131  130.747 5.9128  7.164139       8.221934 
1 1 1 -9  0   38 o 83.737  3.9039  853.063    79.319   919.049    113.970  791.077    110.462  86.632  5.4496  80.311  5.7057  6.320839       7.890076 
1 1 1 -9  0   39 o 64.498  4.3160  508.979    67.155   520.200    103.459  500.809    88.281   64.836  6.6717  63.764  5.7684  1.071785       8.819634 
1 1 1 -9  0   40 o 13.162  5.7219  -5.7606    34.060   -12.4204   47.131   1.5197     49.278   15.115  6.6468  16.591  7.0407  -1.476178      9.682508 
1 1 1 -9  0   41 o 156.314 4.4675  2981.55    169.445  3023.93    242.018  2940.80    237.314  156.959 6.3547  154.797 6.3183  2.162231       8.961195 
1 1 1 -9  0   42 f 36.028  5.3567  162.313    45.403   213.107    64.262   111.685    64.157   41.112  6.6707  29.632  8.4883  11.47972       10.79580 
1 1 1 -9  0   43 o 17.582  6.5106  29.792     36.860   49.155     49.981   6.7060     54.576   21.417  7.6308  17.805  7.4743  3.612497       10.68148 
1 1 1 -9  0   44 o 117.966 5.3764  1706.73    153.890  1495.79    196.440  2041.86    247.602  109.665 7.4262  127.955 8.0155  -18.29025      10.92685 
1 1 1 -9  0   45 o 49.568  6.8175  308.897    79.825   308.897    79.825   0.0000     0.0000   49.568  6.8175  ?       ?       0.000000       6.817506 
1 1 1 -9  0   46 o 117.723 5.8333  1705.42    166.625  1705.42    166.625  0.0000     0.0000   117.723 5.8333  ?       ?       0.000000       5.833313 
1 1 1 -9  0   47 o 139.324 4.9825  2381.58    168.438  2512.47    214.534  2171.24    271.969  142.665 6.1975  131.343 8.5811  11.32242       10.58506 
1 1 1 -9  0   48 f 154.459 4.6487  2925.74    174.226  3031.39    249.085  2824.54    243.786  156.393 6.5640  150.917 6.6574  5.475754       9.349170 
1 1 1 -9  0   49 o 13.012  6.1971  -67.6599   53.899   0.0000     0.0000   -67.6599   53.899   ?       ?       13.012  6.1971  0.000000       6.197098 
1 1 1 -9  0   50 o 83.875  6.4547  879.982    130.353  683.748    264.664  942.829    149.779  68.678  16.153  86.523  7.1997  -17.84557      17.68497 
1 1 1 -9  0   51 o 108.075 4.3691  1435.17    114.572  1511.45    163.895  1362.26    160.226  110.066 6.1616  104.384 6.3564  5.682625       8.852622 
1 1 1 -9  0   52 o 54.155  7.0977  374.334    91.020   0.0000     0.0000   374.334    91.020   ?       ?       54.155  7.0977  0.000000       7.097722 
1 1 1 -9  0   53 o 42.556  7.6493  235.613    76.082   0.0000     0.0000   235.613    76.082   ?       ?       42.556  7.6493  0.000000       7.649258 
1 1 1 -9  0   54 o 17.790  7.1393  20.971     46.996   -18.5967   66.419   60.641     66.506   17.535  7.7918  23.766  8.7557  -6.231112      11.72066 
1 1 1 -9  0   55 o 65.823  4.7803  537.646    75.827   537.086    102.866  538.313    112.213  65.142  6.5991  64.947  7.2441  0.1950226      9.799266 
1 1 1 -9  0   56 o 62.560  4.7997  485.970    72.303   442.412    96.165   542.612    109.662  58.974  6.8479  65.305  7.0315  -6.330833      9.815051 
1 1 1 -9  0   57 f 39.894  7.8584  208.799    73.362   211.982    83.965   198.530    150.816  39.845  8.9085  38.427  13.289  1.417610       15.99882 
1 1 1 -9  0   58 o 35.261  8.2927  165.678    69.761   177.056    78.117   120.869    155.025  36.285  8.9325  33.446  13.113  2.839130       15.86611 
1 1 1 -9  1   1  o 487.371 9.5581  28869.81   1130.31  29047.57   1597.58  28691.65   1599.41  488.431 13.480  485.416 13.579  3.014587       19.13418 
1 1 1 -9  1   2  o 288.609 6.2861  10113.40   440.207  10631.09   621.563  9592.42    623.536  295.799 8.6601  280.954 9.1467  14.84546       12.59600 
1 1 1 -9  1   3  o 1024.63 23.004  128719.50  5719.15  129527.50  9891.53  128313.70  7009.59  1017.04 40.083  1020.26 28.315  -3.221558      49.07549 
1 1 1 -9  1   4  o 492.979 9.8855  29542.04   1182.47  29186.86   1672.01  29897.46   1672.53  489.514 14.077  495.460 13.912  -5.945923      19.79177 
1 1 1 -9  1   5  o 996.788 19.547  121464.80  4727.69  122940.00  6686.03  119989.70  6685.91  999.070 27.581  986.824 27.923  12.24554       39.24768 
1 1 1 -9  1   6  o 286.339 6.2448  9954.78    433.874  9697.07    613.616  10212.44   613.564  282.492 8.9521  289.913 8.7222  -7.421387      12.49873 
1 1 1 -9  1   7  f 499.483 9.8299  30325.77   1191.33  29514.35   1684.73  31137.31   1684.86  492.255 14.105  505.660 13.732  -13.40530      19.68574 
1 1 1 -9  1   8  o 835.556 22.954  85587.47   4653.78  87877.91   6601.46  83324.62   6561.59  842.396 32.297  819.925 32.982  22.47095       46.16132 
1 1 1 -9  1   9  o 111.947 5.2656  1521.24    143.031  1115.48    219.429  1821.01    188.604  95.319  9.6191  122.299 6.3778  -26.98086      11.54136 
1 1 1 -9  1   10 o 182.058 6.5225  4024.59    288.129  3490.06    426.271  4474.24    390.967  169.106 10.440  191.906 8.3963  -22.80026      13.39726 
1 1 1 -9  1   11 o 182.775 4.3491  4054.46    192.876  4095.16    272.844  4013.81    272.692  183.657 6.1227  181.822 6.1811  1.834671       8.700163 
1 1 1 -9  1   12 o 614.267 12.109  45911.23   1804.85  43748.00   2552.44  48074.45   2552.44  598.654 17.572  627.733 16.758  -29.07837      24.28152 
1 1 1 -9  1   13 o 614.625 12.142  45967.39   1810.81  45321.45   2561.07  46613.12   2560.66  609.352 17.322  618.028 17.076  -8.674988      24.32326 
1 1 1 -9  1   14 o 132.770 3.8751  2139.29    124.837  2143.83    176.656  2134.77    176.437  132.890 5.4786  132.609 5.4834  0.2810059      7.751348 
1 1 1 -9  1   15 o 308.009 6.5927  11520.37   492.712  12036.87   697.430  11005.74   696.173  314.703 9.1335  300.898 9.5353  13.80536       13.20386 
1 1 1 -9  1   16 o 286.218 6.1711  9947.19    428.570  9960.18    606.705  9934.25    605.477  286.281 8.7341  285.909 8.7278  0.3726196      12.34747 
1 1 1 -9  1   17 o 683.414 13.517  56912.80   2241.47  57117.75   3171.03  56708.14   3168.81  683.144 19.130  680.673 19.186  2.471375       27.09411 
1 1 1 -9  1   18 o 128.995 3.9274  2019.54    122.924  1999.22    174.467  2039.57    173.221  128.317 5.6036  129.607 5.5082  -1.290253      7.857482 
1 1 1 -9  1   19 o 506.376 10.350  31207.41   1271.62  31496.32   1799.74  30919.39   1796.95  507.919 14.603  503.221 14.717  4.698059       20.73263 
1 1 1 -9  1   20 o 186.889 4.7460  4240.72    215.218  4296.68    305.444  4185.55    303.297  188.045 6.6943  185.596 6.7350  2.449387       9.495976 
1 1 1 -9  1   21 o 299.747 6.4005  10919.21   465.511  10839.92   659.790  10997.80   656.885  298.394 9.1128  300.571 9.0069  -2.177338      12.81281 
1 1 1 -9  1   22 o 245.600 5.4376  7328.95    324.042  7300.61    459.921  7356.87    456.626  244.937 7.7386  245.887 7.6535  -0.9500732     10.88407 
1 1 1 -9  1   23 o 231.624 6.2942  6524.34    353.744  6613.12    430.058  6338.61    622.029  233.066 7.6047  227.706 11.258  5.360123       13.58605 
1 1 1 -9  1   24 o 344.302 10.277  14487.10   858.525  14881.54   1194.00  14064.88   1235.33  347.827 14.147  337.837 15.070  9.989899       20.67010 
1 1 1 -9  1   25 o 123.308 5.5148  1848.89    164.999  2063.44    218.160  1562.12    252.214  129.995 6.9416  112.728 9.3041  17.26800       11.60825 
1 1 1 -9  1   26 o 247.118 7.8734  7444.08    472.097  7474.42    648.130  7409.79    689.037  247.103 10.810  245.878 11.549  1.225525       15.81903 
1 1 1 -9  1   27 f 82.186  3.7464  820.340    74.710   783.976    106.889  855.075    104.466  80.104  5.5333  83.709  5.1685  -3.605209      7.571714 
1 1 1 -9  1   28 o 178.077 4.5005  3853.14    194.461  3846.78    276.939  3859.32    273.121  177.790 6.4197  178.088 6.3206  -0.2981110     9.008976 
1 1 1 -9  1   29 o 234.762 5.5054  6701.80    313.600  6844.54    445.944  6562.16    441.092  236.979 7.7554  232.029 7.8347  4.950821       11.02404 
1 1 1 -9  1   30 o 165.233 4.2809  3317.04    171.630  3425.06    245.285  3213.43    240.237  167.784 6.0250  162.513 6.0924  5.271362       8.568417 
1 1 1 -9  1   31 o 46.783  5.9059  270.481    65.547   -10.3715   157.454  329.357    72.091   28.955  12.444  51.704  5.8493  -22.74863      13.74986 
1 1 1 -9  1   32 o 81.210  6.0188  806.971    117.755  667.024    206.992  873.934    143.182  72.745  12.156  84.402  7.0562  -11.65722      14.05556 
1 1 1 -9  1   33 o 122.566 5.8594  1828.36    174.258  2317.48    287.477  1544.26    219.098  137.464 8.6632  112.192 8.1029  25.27137       11.86205 
1 1 1 -9  1   34 o 105.765 4.4356  1359.88    113.831  1348.36    144.629  1378.64    184.528  105.094 5.6929  106.074 7.2124  -0.9793396     9.188454 
1 1 1 -9  1   35 o 172.028 4.6033  3599.35    192.147  3718.52    274.536  3484.92    269.021  174.639 6.4788  169.054 6.5584  5.584915       9.218874 
1 1 1 -9  1   36 o 120.230 4.1034  1757.88    119.706  1844.63    170.787  1674.10    167.832  123.023 5.7214  117.031 5.9297  5.992180       8.239881 
1 1 1 -9  1   37 o 97.565  3.9616  1157.90    93.784   1087.23    133.428  1226.90    131.848  94.213  5.8658  100.166 5.4453  -5.952850      8.003725 
1 1 1 -9  1   38 o 97.412  3.9217  1154.77    92.693   1156.21    131.879  1153.36    130.312  97.156  5.6182  97.046  5.5572  0.1102295      7.902327 
1 1 1 -9  1   39 o 71.551  4.1744  625.760    72.159   507.072    110.299  714.563    95.408   63.860  7.2466  76.331  5.1820  -12.47070      8.908835 
1 1 1 -9  1   40 o 107.298 4.0167  1402.89    104.575  1446.05    149.191  1361.21    146.625  108.553 5.6840  105.295 5.7608  3.257668       8.092870 
1 1 1 -9  1   41 o 52.343  4.3004  336.504    54.134   333.149    76.291   339.905    76.827   51.740  6.2005  52.274  6.1765  -0.5339355     8.751826 
1 1 1 -9  1   42 o 156.352 5.3580  2994.91    203.269  3060.62    245.274  2850.82    363.218  157.729 6.4088  150.440 10.007  7.288879       11.88373 
1 1 1 -9  1   43 o 118.182 5.3925  1712.64    154.636  1509.98    196.800  2039.67    250.000  110.222 7.4015  127.888 8.0983  -17.66595      10.97104 
1 1 1 -9  1   44 o 19.549  7.6981  27.900     53.647   27.900     53.647   0.0000     0.0000   19.549  7.6981  ?       ?       0.000000       7.698134 
1 1 1 -9  1   45 o 95.724  6.7355  1137.49    155.445  1137.49    155.445  0.0000     0.0000   95.724  6.7355  ?       ?       0.000000       6.735480 
1 1 1 -9  1   46 o 46.801  5.5605  272.953    61.909   217.638    84.015   338.677    91.578   40.952  8.7223  51.701  7.5205  -10.74926      11.51678 
1 1 1 -9  1   47 o 46.894  5.2059  273.423    58.235   178.304    86.983   350.689    78.397   36.855  9.6230  52.934  6.2225  -16.07932      11.45960 
1 1 1 -9  1   48 o 61.657  8.6496  487.535    125.842  136.644    282.769  574.195    140.525  41.483  17.181  66.907  8.8750  -25.42435      19.33813 
1 1 1 -9  1   49 o 22.272  8.3098  49.354     60.272   115.676    171.286  39.982     64.390   34.855  13.746  21.798  8.4771  13.05684       16.14950 
1 1 1 -9  1   50 o 86.393  6.3865  933.869    132.929  1262.23    261.899  819.925    154.278  97.614  11.264  80.212  8.0349  17.40154       13.83637 
1 1 1 -9  1   51 o 60.746  4.3899  455.992    64.270   374.725    87.507   551.169    94.701   54.327  6.7864  66.339  5.9464  -12.01202      9.023055 
1 1 1 -9  1   52 o 73.671  6.2718  682.348    111.045  0.0000     0.0000   682.348    111.045  ?       ?       73.671  6.2718  0.000000       6.271803 
1 1 1 -9  1   53 o 74.999  4.2527  694.146    77.071   649.280    105.858  744.753    112.428  71.874  6.1286  77.036  6.0637  -5.162689      8.621394 
1 1 1 -9  1   54 o 95.751  4.6328  1131.02    107.634  1203.57    135.526  1007.09    177.127  98.200  5.7125  88.393  8.3577  9.806801       10.12341 
1 1 1 -9  1   55 o 63.009  4.8446  493.113    73.499   425.731    98.642   577.217    110.204  57.701  7.2024  67.465  6.8260  -9.764294      9.923133 
1 1 1 -9  1   56 o 28.276  7.7696  104.889    54.950   105.581    70.635   103.828    87.453   28.620  9.0683  29.098  10.116  -0.4775581     13.58577 
1 1 1 -9  1   57 o 22.339  8.3791  50.857     61.441   91.807     68.809   -110.2181  136.469  27.030  8.9803  21.833  10.233  5.197300       13.61483 
1 1 1 -9  1   58 o 37.718  7.9752  188.638    70.707   226.683    80.475   59.843     148.069  41.302  8.3180  29.633  12.366  11.66845       14.90340 
1 1 1 -9  2   1  o 508.513 9.9928  31434.18   1232.97  31268.54   1742.90  31600.12   1744.48  506.661 14.177  509.349 14.115  -2.688202      20.00579 
1 1 1 -9  2   2  o 700.222 13.802  59711.33   2345.03  59278.78   3315.67  60144.25   3317.07  696.332 19.624  701.434 19.490  -5.101440      27.65781 
1 1 1 -9  2   3  o 345.947 7.3410  14535.25   616.214  14674.89   870.602  14395.05   872.317  347.422 10.328  344.085 10.448  3.337128       14.69099 
1 1 1 -9  2   4  o 350.010 7.4157  14878.97   629.792  15040.90   889.904  14716.50   891.419  351.720 10.428  347.897 10.560  3.823181       14.84078 
1 1 1 -9  2   5  o 696.758 13.652  59117.26   2307.99  58737.62   3263.53  59497.12   3264.45  693.205 19.403  697.704 19.283  -4.499451      27.35506 
1 1 1 -9  2   6  o 511.504 9.9788  31805.00   1238.48  31880.24   1751.44  31729.75   1751.52  511.602 14.109  510.388 14.143  1.213867       19.97750 
1 1 1 -9  2   7  o 380.965 11.006  17650.25   1017.39  17965.98   1459.12  17351.52   1419.31  383.883 15.665  377.280 15.504  6.603027       22.04021 
1 1 1 -9  2   8  o 632.606 17.746  48854.92   2723.95  47753.61   3872.61  49933.38   3832.19  623.343 25.604  637.674 24.768  -14.33136      35.62323 
1 1 1 -9  2   9  o 584.149 16.292  41616.18   2309.17  42087.66   3286.05  41156.21   3245.64  585.896 23.115  579.384 23.087  6.512207       32.66968 
1 1 1 -9  2   10 f 1030.06 28.452  130794.60  7111.14  131925.80  10077.33 129672.70  10036.15 1026.22 40.471  1017.27 40.660  8.951111       57.36797 
1 1 1 -9  2   11 o 671.581 13.144  54906.83   2141.77  55912.73   3028.87  53900.87   3028.98  676.577 18.450  664.209 18.794  12.36829       26.33695 
1 1 1 -9  2   12 o 338.589 7.1702  13922.92   589.069  14251.62   833.056  13594.21   833.083  342.393 10.027  334.386 10.268  8.006714       14.35180 
1 1 1 -9  2   13 o 816.595 15.989  81325.30   3167.99  83138.77   4480.17  79511.77   4480.24  823.570 22.420  805.215 22.931  18.35492       32.06995 
1 1 1 -9  2   14 o 370.909 7.5530  16710.69   679.752  16872.29   961.264  16549.06   961.365  372.477 10.636  368.884 10.741  3.593719       15.11585 
1 1 1 -9  2   15 o 177.855 4.4869  3839.37    193.631  3770.22    273.635  3908.73    274.037  176.206 6.4001  179.416 6.2948  -3.210205      8.976995 
1 1 1 -9  2   16 o 666.633 12.987  54127.95   2100.68  53308.46   2971.12  54947.08   2970.49  660.217 18.547  670.369 18.262  -10.15186      26.02860 
1 1 1 -9  2   17 o 500.216 9.9646  30432.92   1209.43  30305.51   1710.82  30560.21   1709.97  498.532 14.143  500.635 14.077  -2.102417      19.95456 
1 1 1 -9  2   18 o 597.737 11.886  43519.45   1723.95  42481.86   2438.82  44555.68   2437.25  589.330 17.055  603.661 16.640  -14.33160      23.82764 
1 1 1 -9  2   19 o 357.072 7.5568  15496.95   654.723  15670.23   926.814  15324.33   925.025  358.737 10.648  354.743 10.747  3.993469       15.12825 
1 1 1 -9  2   20 o 415.746 8.4893  21028.16   856.378  21093.69   1212.36  20962.90   1209.84  415.813 12.016  414.519 12.029  1.293518       17.00241 
1 1 1 -9  2   21 o 130.475 3.8367  2066.74    121.465  1970.40    172.445  2161.59    171.118  127.349 5.5807  133.394 5.2868  -6.045265      7.687348 
1 1 1 -9  2   22 o 282.788 6.2683  9723.38    430.106  9712.86    609.518  9733.82    607.014  282.319 8.8978  282.630 8.8515  -0.3109741     12.55070 
1 1 1 -9  2   23 o 97.577  5.1423  1160.35    121.320  1049.76    157.955  1319.43    189.453  92.600  7.0838  103.817 7.5731  -11.21760      10.36979 
1 1 1 -9  2   24 o 58.877  5.5434  425.220    78.260   382.208    100.411  491.780    124.910  55.492  7.6618  62.959  8.3851  -7.467422      11.35841 
1 1 1 -9  2   25 o 311.760 9.2707  11869.85   701.287  11206.50   970.938  12593.36   1014.00  301.886 13.255  320.085 13.056  -18.19904      18.60529 
1 1 1 -9  2   26 o 249.108 5.6845  7547.03    343.593  7460.21    487.812  7632.52    484.039  247.353 8.1278  250.217 7.9726  -2.864120      11.38518 
1 1 1 -9  2   27 o 258.289 5.8153  8114.33    364.451  7963.87    517.333  8262.57    513.510  255.538 8.3435  260.321 8.1297  -4.782501      11.64934 
1 1 1 -9  2   28 o 132.988 4.0211  2148.29    129.754  2107.43    184.242  2188.50    182.766  131.632 5.7685  134.149 5.6149  -2.517075      8.050019 
1 1 1 -9  2   29 o 34.130  5.7925  145.609    46.255   158.982    65.100   131.975    65.734   35.432  7.7849  32.292  8.3333  3.139381       11.40390 
1 1 1 -9  2   30 o 215.258 5.1386  5633.36    268.391  5763.88    382.398  5506.63    376.790  217.511 7.2455  212.594 7.3044  4.916626       10.28844 
1 1 1 -9  2   31 o 152.140 6.3069  2817.50    232.820  2664.02    363.786  2923.97    303.000  147.190 10.250  154.612 8.1050  -7.421814      13.06722 
1 1 1 -9  2   32 o 159.832 6.4090  3110.70    248.552  3230.65    390.394  3028.93    322.318  162.164 9.9700  157.277 8.4774  4.887558       13.08690 
1 1 1 -9  2   33 o 123.464 5.9876  1855.86    179.372  1892.49    294.531  1834.26    226.147  123.920 9.8775  122.372 7.6548  1.548187       12.49646 
1 1 1 -9  2   34 o 200.559 4.9892  4893.49    242.795  4914.03    345.898  4873.55    340.883  200.695 7.1031  199.878 7.0287  0.8166962      9.992843 
1 1 1 -9  2   35 o 170.565 4.6424  3539.39    192.129  3619.04    274.383  3462.76    269.117  172.233 6.5656  168.471 6.5834  3.762466       9.297802 
1 1 1 -9  2   36 o 164.212 4.5388  3281.98    180.845  3199.60    257.651  3361.97    253.897  161.857 6.5605  165.955 6.3053  -4.098175      9.099273 
1 1 1 -9  2   37 o 120.641 4.0352  1771.08    118.120  1837.89    169.081  1707.39    165.083  122.714 5.6786  118.267 5.7527  4.446297       8.083327 
1 1 1 -9  2   38 o 102.832 3.9800  1287.37    99.305   1335.29    142.338  1241.92    138.613  104.397 5.6401  100.660 5.6986  3.737152       8.017797 
1 1 1 -9  2   39 o 113.343 4.0384  1565.10    111.062  1601.14    159.031  1530.79    155.173  114.255 5.7549  111.712 5.7441  2.542244       8.131026 
1 1 1 -9  2   40 o 85.618  3.9116  893.332    81.263   855.238    116.185  929.815    113.701  83.359  5.7799  87.008  5.4125  -3.648972      7.918495 
1 1 1 -9  2   41 o 156.796 4.9868  3006.97    189.722  3181.24    307.303  2899.64    241.173  160.299 7.9008  153.547 6.4733  6.751877       10.21403 
1 1 1 -9  2   42 o 26.533  7.2889  89.771     48.368   43.703     56.177   221.782    95.097   21.446  8.0184  41.281  9.6645  -19.83556      12.55779 
1 1 1 -9  2   43 o 82.405  6.6485  842.807    131.803  842.807    131.803  0.0000     0.0000   82.405  6.6485  ?       ?       0.000000       6.648473 
1 1 1 -9  2   44 o 37.172  8.0614  178.267    70.615   178.267    70.615   0.0000     0.0000   37.172  8.0614  ?       ?       0.000000       8.061381 
1 1 1 -9  2   45 o 71.632  4.4969  630.245    77.762   676.596    98.749   554.584    126.166  74.000  5.5399  66.276  8.0079  7.724129       9.737432 
1 1 1 -9  2   46 o 20.922  7.6500  44.802     50.634   83.899     75.564   12.943     68.212   27.001  9.4027  20.119  8.3944  6.881334       12.60462 
1 1 1 -9  2   47 o 23.695  7.5949  68.831     49.437   94.712     75.148   49.085     65.642   27.992  9.3866  22.827  8.6392  5.165848       12.75714 
1 1 1 -9  2   48 o 71.045  6.5275  631.812    111.265  787.297    226.845  582.556    127.678  76.443  12.674  67.705  7.9217  8.738106       14.94607 
1 1 1 -9  2   49 o 67.461  6.6939  572.440    108.125  260.806    225.442  665.541    123.222  44.547  16.164  72.639  7.0813  -28.09167      17.64739 
1 1 1 -9  2   50 o 20.640  6.9624  50.340     41.347   68.152     51.921   19.464     68.360   23.637  7.7983  20.473  8.4610  3.164129       11.50662 
1 1 1 -9  2   51 o 30.834  8.5372  125.340    66.052   0.0000     0.0000   125.340    66.052   ?       ?       30.834  8.5372  0.000000       8.537155 
1 1 1 -9  2   52 f 11.632  5.6556  -85.9475   50.689   0.0000     0.0000   -85.9475   50.689   ?       ?       11.632  5.6556  0.000000       5.655649 
1 1 1 -9  2   53 o 49.184  5.0171  302.187    59.036   297.259    73.975   310.829    97.969   48.325  6.4713  48.609  8.6220  -0.2840118     10.78043 
1 1 1 -9  2   54 o 12.365  5.6716  -26.1723   38.625   -65.4944   43.866   109.529    81.490   11.224  5.4092  29.392  9.7732  -18.16733      11.17030 
1 1 1 -9  2   55 o 23.415  6.4044  70.863     37.436   108.404    42.307   -64.5883   80.363   28.940  6.2109  17.130  7.9705  11.80989       10.10463 
1 1 1 -9  2   56 o 15.249  6.7609  -14.0631   49.735   -38.6970   64.734   21.427     77.700   16.122  7.3757  21.586  8.9789  -5.463999      11.61986 
1 1 1 -9  2   57 o 55.220  6.5436  388.492    85.970   441.578    98.922   224.649    173.785  58.683  7.0911  40.281  14.242  18.40184       15.90965 
1 1 1 -9  3   1  o 143.730 3.8467  2507.04    134.154  2477.65    188.818  2536.99    190.639  142.865 5.4470  144.565 5.4348  -1.700790      7.694580 
1 1 1 -9  3   2  f 640.774 12.511  49969.34   1945.21  48832.56   2750.25  51107.27   2751.64  632.405 17.923  647.057 17.526  -14.65216      25.06791 
1 1 1 -9  3   3  f 567.660 11.312  39194.26   1558.16  38951.42   2202.98  39437.36   2204.15  565.164 16.065  568.695 15.973  -3.531006      22.65444 
1 1 1 -9  3   4  o 635.344 12.426  49123.88   1915.60  50517.03   2708.35  47729.23   2709.80  643.348 17.350  625.232 17.862  18.11591       24.90119 
1 1 1 -9  3   5  o 156.999 4.0421  2991.38    153.981  2991.87    217.295  2990.89    218.231  156.987 5.7046  156.961 5.7301  0.2604675E-01  8.085553 
1 1 1 -9  3   6  f 685.593 18.954  57434.29   3153.00  58529.82   4478.59  56357.71   4439.68  689.664 26.763  676.646 27.041  13.01776       38.04607 
1 1 1 -9  3   7  o 266.735 8.3502  8643.64    540.429  8164.54    783.804  9077.81    746.148  259.016 12.471  273.197 11.256  -14.18082      16.79984 
1 1 1 -9  3   8  o 365.562 14.902  16284.33   1321.80  0.0000     0.0000   16284.33   1321.80  ?       ?       365.562 14.902  0.000000       14.90185 
1 1 1 -9  3   9  o 857.668 23.423  90218.13   4874.50  94261.00   6914.93  86224.79   6872.45  872.226 32.673  833.509 33.981  38.71722       47.14091 
1 1 1 -9  3   10 o 245.523 6.1687  7318.97    367.493  7241.35    624.186  7360.15    454.644  244.040 10.541  246.164 7.6117  -2.124405      13.00211 
1 1 1 -9  3   11 o 634.781 12.505  49039.98   1926.03  49637.09   2724.03  48443.06   2723.61  637.649 17.606  629.885 17.821  7.764038       25.05093 
1 1 1 -9  3   12 o 399.414 8.2300  19381.36   797.600  20123.98   1128.13  18639.16   1127.82  406.732 11.431  391.398 11.876  15.33401       16.48335 
1 1 1 -9  3   13 o 295.343 6.2783  10591.24   449.916  10867.96   636.402  10314.74   636.152  299.058 8.7703  291.335 8.9992  7.723511       12.56595 
1 1 1 -9  3   14 o 225.489 5.3125  6172.38    290.663  6160.13    410.869  6184.65    411.251  225.195 7.5193  225.643 7.5114  -0.4479370     10.62833 
1 1 1 -9  3   15 o 391.598 8.0875  18632.38   768.457  18582.41   1086.77  18682.35   1086.76  390.776 11.462  391.828 11.431  -1.052582      16.18731 
1 1 1 -9  3   16 o 376.369 7.7352  17210.90   706.402  17333.74   999.086  17088.10   998.922  377.434 10.909  374.742 10.986  2.691681       15.48233 
1 1 1 -9  3   17 o 381.731 7.8676  17708.33   728.723  16774.50   1030.60  18642.06   1030.54  371.182 11.443  391.369 10.852  -20.18701      15.77054 
1 1 1 -9  3   18 o 275.645 5.9023  9227.78    394.765  9249.06    558.598  9206.55    557.967  275.816 8.3467  275.180 8.3565  0.6352844      11.81100 
1 1 1 -9  3   19 o 409.921 9.5556  20453.61   950.433  20470.09   1630.04  20445.12   1169.88  408.768 16.435  409.486 11.774  -0.7179871     20.21708 
1 1 1 -9  3   20 o 125.016 3.8772  1897.38    117.612  1913.60    166.962  1881.40    165.702  125.508 5.4825  124.448 5.4875  1.060799       7.757004 
1 1 1 -9  3   21 o 44.626  4.4180  244.226    47.210   242.310    67.544   246.057    66.014   44.173  6.4957  44.553  6.2809  -0.3794441     9.035672 
1 1 1 -9  3   22 o 18.645  7.3473  23.445     48.903   70.382     59.793   -71.3866   84.989   24.884  8.3727  17.916  8.2880  6.967545       11.78104 
1 1 1 -9  3   23 o 306.502 9.2954  11467.38   691.299  11538.07   956.181  11389.96   1000.62  306.592 12.853  304.422 13.547  2.169983       18.67395 
1 1 1 -9  3   24 o 268.875 8.2702  8816.66    539.547  8369.55    742.177  9317.83    785.757  261.286 11.707  275.681 11.747  -14.39517      16.58396 
1 1 1 -9  3   25 o 250.804 7.8730  7667.81    479.112  7335.12    657.190  8045.23    699.963  244.735 11.067  256.266 11.257  -11.53128      15.78599 
1 1 1 -9  3   26 o 179.871 4.6527  3931.59    203.063  3859.52    288.430  4002.42    285.936  178.060 6.6759  181.342 6.4984  -3.282471      9.316478 
1 1 1 -9  3   27 o 49.465  4.2789  299.471    50.850   335.993    72.889   264.842    70.974   52.234  5.8516  46.198  6.5123  6.035877       8.755058 
1 1 1 -9  3   28 o 250.850 5.6784  7653.12    345.626  7596.25    491.184  7708.89    486.429  249.595 8.1104  251.460 7.9723  -1.865189      11.37265 
1 1 1 -9  3   29 o 222.121 5.1495  5998.20    277.537  6439.97    395.057  5567.71    389.986  229.941 7.0808  213.748 7.5194  16.19237       10.32852 
1 1 1 -9  3   30 f 110.141 4.7521  1474.48    126.999  1663.06    256.744  1413.39    146.128  116.325 9.1706  107.650 5.6139  8.674950       10.75247 
1 1 1 -9  3   31 o 204.841 7.1992  5113.62    357.820  5187.71    544.296  5057.23    474.850  205.429 10.959  203.349 9.6239  2.080032       14.58508 
1 1 1 -9  3   32 o 124.617 5.8923  1890.22    178.166  2262.61    294.090  1674.31    223.938  135.757 8.9787  116.862 7.9447  18.89461       11.98896 
1 1 1 -9  3   33 o 156.359 5.0400  2974.00    191.214  2923.09    240.816  3060.84    314.553  154.887 6.4078  158.063 8.2301  -3.176407      10.43041 
1 1 1 -9  3   34 f 142.347 4.2454  2463.64    146.632  2631.21    209.887  2303.88    204.939  146.960 5.8860  137.490 6.1431  9.470352       8.507823 
1 1 1 -9  3   35 o 205.672 5.7658  5156.67    287.741  5529.32    479.410  4946.84    359.743  212.158 9.3129  201.139 7.3711  11.01941       11.87697 
1 1 1 -9  3   36 o 93.025  3.9174  1052.64    88.422   1177.39    126.518  933.533    123.627  98.129  5.3337  87.266  5.8727  10.86280       7.933239 
1 1 1 -9  3   37 o 62.302  4.0588  474.489    61.022   496.081    87.642   454.172    85.014   63.475  5.7530  60.697  5.8447  2.777374       8.201054 
1 1 1 -9  3   38 o 75.474  3.9532  695.561    72.143   713.100    102.744  678.503    101.322  76.179  5.5977  74.286  5.6640  1.892593       7.963345 
1 1 1 -9  3   39 o 110.570 3.9944  1489.80    107.165  1564.63    153.378  1418.43    149.796  113.073 5.5903  107.482 5.7648  5.591217       8.030272 
1 1 1 -9  3   40 o 60.781  4.2152  452.828    61.782   446.371    88.072   459.083    86.691   60.002  6.1357  60.898  5.9426  -0.8963280     8.541737 
1 1 1 -9  3   41 o 157.654 5.4707  3046.69    209.273  3204.85    252.279  2697.74    374.730  161.374 6.4429  145.931 10.657  15.44337       12.45294 
1 1 1 -9  3   42 o 72.696  6.6931  657.054    116.733  657.054    116.733  0.0000     0.0000   72.696  6.6931  ?       ?       0.000000       6.693093 
1 1 1 -9  3   43 o 96.421  6.8120  1153.76    158.346  1153.76    158.346  0.0000     0.0000   96.421  6.8120  ?       ?       0.000000       6.812048 
1 1 1 -9  3   44 o 49.846  5.9236  309.895    70.241   307.856    84.370   314.502    126.799  49.348  7.2634  48.830  10.970  0.5181847      13.15651 
1 1 1 -9  3   45 o 54.814  5.2750  372.283    69.292   379.587    94.932   363.954    101.371  54.840  7.3168  53.462  8.0654  1.378040       10.88974 
1 1 1 -9  3   46 o 17.072  7.0121  12.830     46.580   92.537     72.778   -42.4765   60.623   27.671  9.2376  15.420  7.0850  12.25097       11.64175 
1 1 1 -9  3   47 o 46.501  5.4452  269.957    60.276   235.068    88.455   300.201    82.357   42.406  8.8812  48.591  7.2035  -6.184448      11.43528 
1 1 1 -9  3   48 o 21.272  7.8752  45.732     53.926   -222.3723  166.080  77.329     57.015   21.925  10.556  25.078  8.1670  -3.153847      13.34641 
1 1 1 -9  3   49 o 71.800  6.5216  647.545    112.377  465.072    236.943  700.503    127.647  56.182  16.376  74.448  7.1544  -18.26647      17.87100 
1 1 1 -9  3   50 o 29.911  8.5244  117.276    64.872   0.0000     0.0000   117.276    64.872   ?       ?       29.911  8.5244  0.000000       8.524437 
1 1 1 -9  3   51 o 57.100  6.7603  414.321    91.845   0.0000     0.0000   414.321    91.845   ?       ?       57.100  6.7603  0.000000       6.760331 
1 1 1 -9  3   52 o 44.714  5.0024  250.201    53.343   284.157    71.061   206.362    80.741   47.270  6.3566  39.405  8.6792  7.865681       10.75805 
1 1 1 -9  3   53 o 18.083  6.4904  35.339     36.222   24.112     44.397   57.688     62.640   17.755  6.9994  23.157  8.5025  -5.402416      11.01290 
1 1 1 -9  3   54 o 24.161  7.1324  75.012     44.692   113.598    52.705   -23.7505   84.320   29.422  7.3920  19.622  8.7455  9.799870       11.45100 
1 1 1 -9  3   55 o 28.623  6.6986  106.843    45.699   138.529    54.003   26.914     85.769   32.576  7.0377  22.837  9.4608  9.738976       11.79140 
1 1 1 -9  3   56 o 25.228  7.6131  82.104     50.499   76.897     53.776   120.964    146.918  24.683  7.9222  33.138  12.828  -8.455582      15.07682 
1 1 1 -9  3   57 o 16.724  7.3486  -9.8502    57.515   -19.4928   63.330   35.538     137.400  16.958  7.5671  27.636  11.743  -10.67771      13.97015 
1 1 1 -9  4   1  o 360.317 8.5674  15773.98   749.027  15451.23   1283.66  15940.61   922.327  356.087 14.857  362.081 10.498  -5.994751      18.19179 
1 1 1 -9  4   2  o 282.318 6.0510  9676.79    414.504  9401.45    585.115  9954.18    587.286  278.165 8.6691  286.236 8.4559  -8.070709      12.11016 
1 1 1 -9  4   3  o 282.380 6.0707  9681.04    415.945  9484.35    587.594  9878.58    588.880  279.389 8.6677  285.145 8.5113  -5.755219      12.14791 
1 1 1 -9  4   4  o 371.593 7.6300  16771.66   687.950  16451.37   972.399  17092.62   973.417  367.805 10.896  374.921 10.700  -7.115662      15.27144 
1 1 1 -9  4   5  o 526.164 14.777  33734.05   1886.51  33962.28   2686.26  33511.93   2649.97  526.770 21.017  523.298 20.870  3.472351       29.61867 
1 1 1 -9  4   6  o 270.381 8.4694  8881.94    555.637  8128.37    803.768  9571.67    768.966  258.418 12.819  280.526 11.297  -22.10840      17.08640 
1 1 1 -9  4   7  o 436.872 12.563  23227.86   1331.70  22628.22   1902.79  23803.57   1864.42  430.451 18.218  441.616 17.399  -11.16547      25.19204 
1 1 1 -9  4   8  o 798.308 22.162  78076.63   4292.83  77536.95   6091.56  78609.05   6050.59  791.518 31.718  797.187 31.281  -5.668701      44.54762 
1 1 1 -9  4   9  o 488.915 9.7146  29055.09   1152.45  29312.92   1629.88  28797.30   1629.76  490.622 13.691  486.271 13.813  4.350403       19.44848 
1 1 1 -9  4   10 o 438.844 8.7622  23400.69   933.016  23906.22   1319.76  22895.57   1319.21  443.228 12.272  433.730 12.535  9.498688       17.54206 
1 1 1 -9  4   11 o 329.753 7.0036  13205.28   560.366  12946.52   792.842  13463.56   792.112  326.334 10.013  332.801 9.8093  -6.466309      14.01715 
1 1 1 -9  4   12 o 202.171 4.8039  4961.13    235.654  4793.98    333.693  5127.42    332.839  198.684 6.9218  205.484 6.6756  -6.800552      9.616403 
1 1 1 -9  4   13 o 236.557 5.2423  6793.04    300.899  6607.44    424.457  6980.53    426.623  233.230 7.5004  239.730 7.3343  -6.500641      10.49036 
1 1 1 -9  4   14 o 168.622 4.4769  3451.13    183.169  3752.47    259.313  3151.05    258.768  175.796 6.0793  161.081 6.6207  14.71516       8.988379 
1 1 1 -9  4   15 o 225.117 5.1834  6152.27    283.131  6467.79    400.586  5837.32    400.228  230.750 7.1547  219.200 7.5249  11.54941       10.38337 
1 1 1 -9  4   16 o 174.608 4.3871  3700.72    185.870  3669.98    262.676  3731.55    263.043  173.837 6.2275  175.290 6.1845  -1.453415      8.776678 
1 1 1 -9  4   17 o 205.246 4.9301  5114.41    245.522  5186.67    347.280  5042.19    347.160  206.618 6.9270  203.716 7.0233  2.902039       9.864603 
1 1 1 -9  4   18 o 279.393 6.1545  9482.68    417.227  9748.26    590.223  9217.40    589.875  283.104 8.5922  275.268 8.8316  7.836029       12.32169 
1 1 1 -9  4   19 o 336.136 7.1462  13736.72   582.847  13901.08   824.604  13572.63   823.937  337.791 10.061  333.760 10.174  4.030243       14.30847 
1 1 1 -9  4   20 o 344.227 7.2041  14412.72   601.715  14602.88   851.256  14222.83   850.651  346.053 10.138  341.499 10.266  4.554932       14.42806 
1 1 1 -9  4   21 o 200.942 4.8785  4905.55    237.861  4905.83    336.830  4905.27    335.946  200.805 6.9131  200.795 6.8953  0.9918213E-02  9.764024 
1 1 1 -9  4   22 o 113.922 5.4130  1577.69    149.626  1723.72    195.723  1372.32    232.104  118.814 6.8176  105.665 9.1430  13.14953       11.40501 
1 1 1 -9  4   23 o 130.787 5.6201  2080.16    178.348  2205.14    235.296  1911.39    273.420  134.360 7.2442  124.805 9.0914  9.555168       11.62463 
1 1 1 -9  4   24 o 163.503 6.1484  3252.85    243.924  3299.78    326.743  3193.76    366.611  164.492 8.1865  161.426 9.4005  3.065414       12.46549 
1 1 1 -9  4   25 o 276.982 6.0883  9334.02    409.177  9183.70    580.032  9482.92    577.306  274.336 8.7137  278.802 8.5339  -4.466217      12.19656 
1 1 1 -9  4   26 o 344.577 7.1211  14460.48   595.382  14419.14   843.580  14501.51   840.423  343.410 10.124  344.407 10.057  -0.9971008     14.27004 
1 1 1 -9  4   27 o 224.533 5.3184  6129.67    289.752  6096.66    411.376  6162.17    408.185  223.678 7.5797  224.889 7.4804  -1.211365      10.64933 
1 1 1 -9  4   28 o 63.200  4.1835  487.371    63.791   357.075    92.797   604.109    87.836   53.649  7.3196  70.301  5.1859  -16.65129      8.970493 
1 1 1 -9  4   29 o 137.018 4.1294  2280.81    137.287  2297.28    196.706  2265.17    191.697  137.413 5.8997  136.456 5.7897  0.9566803      8.266019 
1 1 1 -9  4   30 o 169.050 6.5941  3479.95    270.480  3255.89    420.584  3637.97    353.209  162.682 10.715  172.643 8.4318  -9.960800      13.63467 
1 1 1 -9  4   31 o 95.530  5.8465  1114.76    134.867  1024.96    239.999  1156.21    163.046  90.744  11.134  97.161  6.9622  -6.416420      13.13119 
1 1 1 -9  4   32 o 132.134 6.0608  2126.04    194.316  1976.70    316.816  2216.10    246.025  126.539 10.411  134.555 7.5663  -8.016258      12.86995 
1 1 1 -9  4   33 o 191.589 4.8943  4465.48    227.525  4563.06    324.416  4371.01    319.185  193.408 6.9130  189.288 6.9495  4.119415       9.802306 
1 1 1 -9  4   34 o 138.055 4.2530  2317.93    142.467  2425.43    203.666  2214.92    199.361  141.056 5.9506  134.780 6.0961  6.275940       8.518927 
1 1 1 -9  4   35 o 20.874  6.7578  51.578     39.066   94.460     58.503   17.071     52.481   27.560  8.1667  18.493  7.5010  9.067272       11.08873 
1 1 1 -9  4   36 o 52.387  4.3242  336.404    54.474   345.802    77.697   327.318    76.395   52.843  6.1763  51.377  6.2574  1.465454       8.792126 
1 1 1 -9  4   37 f 106.194 4.3187  1373.96    111.281  1333.55    176.439  1400.65    143.399  104.030 7.0312  106.934 5.5457  -2.904243      8.955024 
1 1 1 -9  4   38 o 49.821  4.3832  304.967    52.448   363.563    75.341   249.872    73.057   54.197  5.8204  44.583  6.9827  9.614265       9.090413 
1 1 1 -9  4   39 o 28.079  6.3136  100.563    41.970   85.853     60.082   114.581    58.652   26.477  8.3608  29.922  7.9452  -3.444464      11.53380 
1 1 1 -9  4   40 o 134.947 5.0590  2228.28    165.650  2196.40    198.271  2301.97    301.442  133.717 6.1109  135.542 9.2205  -1.825165      11.06170 
1 1 1 -9  4   41 o 79.702  4.8360  780.026    93.081   729.868    108.906  915.988    179.303  76.863  5.8841  85.286  8.7905  -8.423073      10.57810 
1 1 1 -9  4   42 o 127.729 7.4359  2027.90    229.459  2027.90    229.459  0.0000     0.0000   127.729 7.4359  ?       ?       0.000000       7.435932 
1 1 1 -9  4   43 o 107.131 7.0008  1425.67    180.981  1425.67    180.981  0.0000     0.0000   107.131 7.0008  ?       ?       0.000000       7.000829 
1 1 1 -9  4   44 o 37.635  5.7254  178.048    50.634   218.145    64.434   113.314    81.872   41.529  6.6165  30.251  9.7819  11.27772       11.80948 
1 1 1 -9  4   45 o 71.912  4.4404  635.515    77.100   604.618    109.214  666.211    108.859  69.613  6.5426  73.204  6.1866  -3.591087      9.004435 
1 1 1 -9  4   46 o 81.567  4.4128  817.585    87.011   851.551    123.949  784.585    122.174  82.738  6.2196  79.342  6.4006  3.395821       8.924739 
1 1 1 -9  4   47 o 51.105  6.8933  330.785    83.297   528.636    213.485  295.256    90.467   61.340  14.561  47.863  8.0773  13.47684       16.65166 
1 1 1 -9  4   48 o 35.662  8.8158  167.893    75.850   413.068    188.713  120.653    82.836   54.024  14.207  30.740  9.8288  23.28415       17.27553 
1 1 1 -9  4   49 o 95.183  4.8624  1119.77    111.923  1159.37    145.279  1061.94    175.549  96.284  6.2523  91.264  8.0085  5.020226       10.16007 
1 1 1 -9  4   50 o 51.162  7.1858  335.358    86.746   0.0000     0.0000   335.358    86.746   ?       ?       51.162  7.1858  0.000000       7.185839 
1 1 1 -9  4   51 o 51.481  4.6845  329.599    57.876   348.231    77.271   305.790    87.350   52.466  6.1889  48.593  7.6622  3.872475       9.849466 
1 1 1 -9  4   52 o 14.879  6.0760  11.192     34.720   61.581     41.842   -100.2044  62.213   22.163  6.9746  13.026  6.3178  9.137407       9.410561 
1 1 1 -9  4   53 o 59.736  4.6891  442.972    67.419   419.519    85.850   480.707    108.898  57.621  6.2400  61.216  7.4875  -3.594467      9.746851 
1 1 1 -9  4   54 o 51.690  5.0139  333.464    62.093   295.131    76.135   409.612    107.307  48.064  6.7114  56.185  8.1058  -8.120949      10.52363 
1 1 1 -9  4   55 o 31.380  6.9847  128.766    51.814   107.639    59.689   193.355    104.365  28.612  8.1847  37.580  10.844  -8.968042      13.58614 
1 1 1 -9  4   56 o 14.780  6.4365  -5.2744    43.253   -26.8331   45.357   211.048    143.676  13.587  6.1996  38.939  12.979  -25.35194      14.38321 
1 1 1 -9  5   1  o 387.936 7.9183  18281.01   745.339  17770.62   1052.44  18794.59   1055.71  382.229 11.348  393.112 11.068  -10.88284      15.85146 
1 1 1 -9  5   2  o 207.355 4.8295  5218.73    242.986  5136.23    342.323  5302.50    344.960  205.660 6.8600  208.964 6.8035  -3.303986      9.661619 
1 1 1 -9  5   3  o 381.565 11.114  17707.12   1028.95  17344.73   1472.84  18052.60   1438.08  377.128 16.095  384.831 15.401  -7.702911      22.27679 
1 1 1 -9  5   4  f 740.812 20.631  67149.96   3708.50  66131.91   5263.43  68153.58   5226.00  731.883 29.639  743.270 28.977  -11.38715      41.45068 
1 1 1 -9  5   5  o 472.520 13.543  27187.59   1552.80  26036.09   2214.70  28300.96   2177.73  461.447 19.780  481.308 18.647  -19.86078      27.18414 
1 1 1 -9  5   6  o 383.512 11.096  17888.10   1032.56  18018.47   1478.81  17764.08   1442.39  384.414 15.854  381.724 15.573  2.689545       22.22329 
1 1 1 -9  5   7  o 604.737 17.016  44626.19   2496.87  43351.37   3550.15  45874.01   3512.37  594.157 24.625  611.479 23.673  -17.32227      34.15873 
1 1 1 -9  5   8  f 407.357 8.2073  20159.25   811.218  20415.87   1146.90  19902.33   1147.57  409.670 11.538  404.470 11.693  5.199890       16.42717 
1 1 1 -9  5   9  o 502.982 10.017  30755.67   1222.52  31557.30   1728.66  29953.57   1729.15  509.001 13.997  495.845 14.372  13.15579       20.06161 
1 1 1 -9  5   10 o 216.165 5.0791  5672.01    266.401  5793.20    376.643  5550.69    376.853  218.407 7.1072  213.781 7.2650  4.625259       10.16333 
1 1 1 -9  5   11 o 244.400 5.6483  7251.51    334.953  7615.61    473.892  6888.02    473.498  250.384 7.8002  238.107 8.1956  12.27666       11.31423 
1 1 1 -9  5   12 o 261.973 5.6191  8331.94    357.182  8383.98    504.520  8279.64    505.745  262.701 7.9150  261.058 7.9842  1.642975       11.24254 
1 1 1 -9  5   13 o 179.405 4.5005  3906.64    195.910  3894.35    275.596  3919.21    278.546  179.082 6.3424  179.651 6.3900  -0.5694427     9.003282 
1 1 1 -9  5   14 o 422.762 8.4785  21720.88   869.723  21093.76   1230.02  22347.91   1229.93  416.231 12.179  428.469 11.830  -12.23819      16.97896 
1 1 1 -9  5   15 f 251.123 5.6176  7657.13    342.298  7256.83    483.246  8060.21    484.923  244.360 8.1503  257.552 7.7597  -13.19191      11.25345 
1 1 1 -9  5   16 o 122.615 3.8822  1824.78    115.501  1804.92    163.971  1844.35    162.721  121.918 5.5429  123.244 5.4414  -1.326508      7.767406 
1 1 1 -9  5   17 o 165.309 4.3487  3317.43    174.430  3385.34    247.140  3250.01    246.224  166.942 6.1012  163.568 6.2040  3.374146       8.701347 
1 1 1 -9  5   18 o 150.773 4.1525  2759.80    151.912  2798.57    215.363  2721.40    214.313  151.777 5.8479  149.668 5.9014  2.108948       8.308115 
1 1 1 -9  5   19 o 111.230 3.7718  1502.01    101.797  1427.62    144.052  1576.22    143.872  108.260 5.5020  113.910 5.2054  -5.649742      7.574149 
1 1 1 -9  5   20 o 131.682 4.0041  2105.65    127.936  2120.54    180.660  2090.67    181.199  132.088 5.6368  131.152 5.6940  0.9361877      8.012200 
1 1 1 -9  5   21 o 144.416 5.7625  2535.84    201.925  2434.50    267.167  2670.85    308.375  141.155 7.8312  147.760 8.6388  -6.604507      11.66004 
1 1 1 -9  5   22 o 323.162 9.6667  12757.84   757.986  12509.98   1048.16  13029.58   1097.45  318.952 13.544  325.392 13.900  -6.439911      19.40725 
1 1 1 -9  5   23 o 357.820 10.338  15663.00   897.583  14421.42   1245.08  17006.43   1295.15  341.780 15.014  371.419 14.371  -29.63904      20.78316 
1 1 1 -9  5   24 o 29.953  5.7282  112.775    40.115   79.285     57.152   145.294    56.319   25.731  8.1574  33.914  7.0729  -8.183271      10.79674 
1 1 1 -9  5   25 o 261.175 5.8783  8297.49    372.518  8281.24    528.046  8313.59    525.603  260.569 8.3519  261.087 8.2968  -0.5176086     11.77243 
1 1 1 -9  5   26 o 32.372  5.7948  131.319    43.846   103.457    63.295   157.022    60.795   28.886  8.4769  35.253  7.3457  -6.367296      11.21679 
1 1 1 -9  5   27 o 255.238 5.8329  7924.66    361.238  8060.64    512.933  7790.85    508.826  257.082 8.2229  252.731 8.2975  4.351013       11.68179 
1 1 1 -9  5   28 o 290.907 6.3036  10299.86   444.947  10286.74   631.475  10312.80   627.049  290.248 8.9665  290.631 8.8919  -0.3829956     12.62792 
1 1 1 -9  5   29 o 357.150 10.540  15619.97   913.431  16448.60   1327.31  14874.47   1258.97  364.774 14.996  346.897 14.957  17.87640       21.18037 
1 1 1 -9  5   30 o 84.244  5.7794  867.638    117.422  1039.28    211.659  791.326    141.132  91.677  9.6605  80.240  7.3298  11.43665       12.12652 
1 1 1 -9  5   31 o 21.005  8.4422  24.674     65.822   -150.6616  140.357  74.106     74.526   21.882  10.295  26.383  9.3266  -4.501692      13.89134 
1 1 1 -9  5   32 o 88.232  4.0042  946.119    85.723   958.972    121.659  933.445    120.808  88.569  5.6912  87.373  5.7302  1.195930       8.076200 
1 1 1 -9  5   33 o 48.972  4.8779  294.708    57.191   319.339    80.651   269.795    81.112   50.725  6.7181  46.424  7.4529  4.300934       10.03386 
1 1 1 -9  5   34 o 117.210 4.1602  1671.09    118.316  1632.38    167.271  1709.85    167.376  115.529 5.9877  118.412 5.8255  -2.882698      8.353970 
1 1 1 -9  5   35 o 172.214 4.6851  3612.39    195.774  3444.76    278.127  3777.02    275.623  167.798 6.8312  175.781 6.4622  -7.983444      9.403432 
1 1 1 -9  5   36 o 94.832  4.0384  1094.86    92.924   1048.52    130.329  1142.77    132.527  92.447  5.8401  96.556  5.6817  -4.108337      8.147931 
1 1 1 -9  5   37 o 135.252 4.2886  2229.57    140.742  2275.92    199.318  2183.48    198.763  136.345 6.0248  133.526 6.1349  2.819733       8.598554 
1 1 1 -9  5   38 o 63.035  4.3274  486.912    65.786   465.495    90.854   510.517    95.383   61.303  6.1929  64.227  6.1975  -2.923458      8.761370 
1 1 1 -9  5   39 f 108.843 4.9140  1448.52    129.777  1558.70    154.873  1188.74    237.802  112.620 5.6859  96.857  10.276  15.76385       11.74380 
1 1 1 -9  5   40 o 59.263  5.1404  433.223    73.185   479.771    85.678   307.603    140.749  62.268  5.7352  48.210  12.062  14.05787       13.35606 
1 1 1 -9  5   41 o 50.592  7.3282  322.986    87.338   322.986    87.338   0.0000     0.0000   50.592  7.3282  ?       ?       0.000000       7.328158 
1 1 1 -9  5   42 o 89.692  6.7061  998.680    144.889  998.680    144.889  0.0000     0.0000   89.692  6.7061  ?       ?       0.000000       6.706128 
1 1 1 -9  5   43 o 69.573  5.4506  598.089    91.277   547.192    111.088  703.863    160.145  66.123  7.0317  74.402  9.0577  -8.278702      11.46679 
1 1 1 -9  5   44 o 67.126  4.5942  554.402    74.378   607.847    105.478  501.543    104.898  69.891  6.2871  63.251  6.9495  6.639648       9.371378 
1 1 1 -9  5   45 o 77.592  4.4680  740.044    83.763   651.020    119.757  825.312    117.202  72.089  6.9320  81.553  5.9642  -9.464790      9.144604 
1 1 1 -9  5   46 f 34.177  6.6671  149.861    53.303   144.008    82.088   154.128    70.091   33.205  9.6277  34.314  8.4697  -1.108486      12.82290 
1 1 1 -9  5   47 o 29.347  8.8621  110.934    68.411   106.156    178.044  111.762    74.099   34.648  13.899  29.589  9.2766  5.058723       16.71042 
1 1 1 -9  5   48 o 34.633  8.7918  158.690    74.012   102.540    198.934  167.711    79.735   35.399  14.510  35.536  9.1818  -0.1367798     17.17081 
1 1 1 -9  5   49 o 98.760  6.3088  1222.00    150.390  0.0000     0.0000   1222.00    150.390  ?       ?       98.760  6.3088  0.000000       6.308804 
1 1 1 -9  5   50 o 41.599  6.0350  219.919    59.138   198.109    86.268   239.254    81.226   38.415  9.3446  42.710  8.1349  -4.295010      12.38946 
1 1 1 -9  5   51 o 69.095  4.5464  591.133    75.795   599.580    106.459  582.451    107.937  68.900  6.4427  67.817  6.6448  1.083138       9.255429 
1 1 1 -9  5   52 o 55.984  4.6279  389.232    62.302   347.930    83.885   440.044    93.043   52.217  6.7808  58.872  6.6288  -6.654469      9.482635 
1 1 1 -9  5   53 o 67.901  4.7723  572.030    78.126   478.510    99.900   719.284    125.357  61.350  6.8267  75.300  6.9391  -13.95004      9.734193 
1 1 1 -9  5   54 o 29.653  6.8522  114.874    48.311   116.216    56.001   110.970    95.525   29.696  7.7056  30.055  10.566  -0.3589382     13.07722 
1 1 1 -9  5   55 o 41.094  6.6900  217.590    64.413   223.594    69.164   178.339    176.833  41.519  7.1220  37.605  14.192  3.913467       15.87913 
1 1 1 -9  5   56 o 43.008  6.4406  237.747    65.142   252.759    70.664   152.806    168.089  44.234  6.8018  35.546  13.732  8.687588       15.32395 
1 1 1 -9  6   1  o 631.090 12.467  48470.39   1909.06  48850.91   2698.20  48088.96   2701.44  632.586 17.579  627.597 17.740  4.988647       24.97437 
1 1 1 -9  6   2  o 631.276 17.577  48648.83   2692.38  48837.89   3823.52  48462.88   3791.87  630.508 24.992  628.118 24.880  2.390259       35.26515 
1 1 1 -9  6   3  o 447.237 12.827  24347.21   1391.95  23666.90   1985.69  25004.48   1951.78  440.142 18.593  452.544 17.775  -12.40192      25.72257 
1 1 1 -9  6   4  o 137.580 5.4787  2297.76    182.891  2504.21    274.531  2133.03    245.236  143.361 7.9229  132.296 7.6726  11.06583       11.02911 
1 1 1 -9  6   5  o 657.613 18.866  52843.35   3010.29  46819.43   4276.28  58760.90   4238.36  616.144 28.604  691.500 25.260  -75.35693      38.16088 
1 1 1 -9  6   6  o 458.395 13.059  25580.66   1452.54  25427.69   2073.33  25728.11   2035.59  456.192 18.731  458.956 18.279  -2.764160      26.17193 
1 1 1 -9  6   7  o 536.873 10.654  35049.25   1387.81  35509.00   1962.33  34589.19   1962.99  539.774 14.983  532.704 15.187  7.070190       21.33375 
1 1 1 -9  6   8  o 286.163 6.1343  9942.51    425.937  10158.06   602.127  9726.62    602.605  289.142 8.5825  282.925 8.7781  6.216858       12.27654 
1 1 1 -9  6   9  o 431.819 8.7070  22658.06   912.289  22463.73   1289.84  22852.60   1290.51  429.619 12.373  433.333 12.274  -3.713654      17.42823 
1 1 1 -9  6   10 o 292.073 6.2251  10357.95   441.164  10217.22   623.780  10498.79   624.019  289.959 8.8661  293.934 8.7495  -3.974701      12.45636 
1 1 1 -9  6   11 o 363.977 7.6556  16093.06   676.111  15808.59   956.051  16377.67   956.281  360.506 10.930  366.954 10.740  -6.447784      15.32341 
1 1 1 -9  6   12 o 160.977 4.1805  3145.11    163.289  3250.77    231.061  3039.69    230.791  163.628 5.8197  158.223 6.0116  5.405823       8.367098 
1 1 1 -9  6   13 f 372.632 7.6561  16869.76   692.237  16660.27   978.942  17079.27   979.002  370.043 10.903  374.681 10.769  -4.637512      15.32431 
1 1 1 -9  6   14 o 367.979 7.5860  16452.39   677.332  16080.81   957.925  16823.91   957.859  363.515 10.860  371.844 10.616  -8.329590      15.18735 
1 1 1 -9  6   15 o 308.899 6.5730  11590.59   492.660  11377.63   696.508  11803.82   696.945  305.852 9.3854  311.541 9.2198  -5.689362      13.15633 
1 1 1 -9  6   16 o 220.127 5.0162  5883.50    267.926  5612.17    377.852  6157.87    379.964  214.896 7.2465  225.116 6.9562  -10.22041      10.04494 
1 1 1 -9  6   17 o 261.089 5.7440  8280.62    363.890  8160.24    514.826  8400.81    514.411  259.015 8.1917  262.816 8.0667  -3.800507      11.49672 
1 1 1 -9  6   18 o 304.484 6.4751  11269.39   478.384  11175.42   677.066  11363.07   676.009  302.913 9.2119  305.457 9.1209  -2.544250      12.96341 
1 1 1 -9  6   19 o 345.480 7.2709  14522.62   609.498  14814.67   862.560  14231.37   861.364  348.446 10.202  341.480 10.396  6.966034       14.56555 
1 1 1 -9  6   20 o 111.897 5.4041  1521.92    146.726  1564.08    189.988  1459.61    230.969  113.155 6.9534  109.064 8.8029  4.091576       11.21785 
1 1 1 -9  6   21 o 287.764 8.8886  10104.19   620.634  10223.48   854.377  9970.93    903.062  288.728 12.195  284.914 13.063  3.813690       17.87085 
1 1 1 -9  6   22 o 110.944 5.4320  1496.71    146.226  1564.96    188.745  1394.25    231.262  113.156 6.9074  106.488 9.0356  6.668533       11.37347 
1 1 1 -9  6   23 o 81.362  5.3368  808.347    104.775  860.302    131.984  719.811    172.293  83.816  6.5416  76.175  9.5301  7.640831       11.55922 
1 1 1 -9  6   24 f 202.771 4.8789  4997.38    240.045  4970.54    339.840  5024.10    339.110  202.037 6.9324  203.128 6.8803  -1.091171      9.767085 
1 1 1 -9  6   25 o 20.146  6.6043  47.279     37.261   22.161     53.870   70.317     51.593   19.207  7.6662  24.296  7.7557  -5.088547      10.90505 
1 1 1 -9  6   26 o 342.660 7.2729  14303.94   604.698  14271.19   856.024  14336.57   854.322  341.553 10.329  342.347 10.285  -0.7936096     14.57622 
1 1 1 -9  6   27 o 177.574 6.2623  3837.57    269.823  3895.97    444.966  3803.61    339.328  178.146 10.339  176.620 7.9180  1.525574       13.02229 
1 1 1 -9  6   28 o 64.667  4.3193  510.392    67.384   525.741    93.086   493.493    97.671   65.468  5.9241  63.345  6.4444  2.123299       8.753612 
1 1 1 -9  6   29 o 176.983 6.8328  3815.79    293.423  3512.28    449.202  4041.68    387.523  168.897 11.022  181.904 8.7799  -13.00664      14.09121 
1 1 1 -9  6   30 o 162.453 5.9946  3212.74    236.293  5354.44    369.043  1724.66    307.618  209.556 7.2579  118.085 10.858  91.47105       13.06026 
1 1 1 -9  6   31 o 170.293 6.7838  3535.41    280.306  3180.37    432.898  3791.73    367.828  160.474 11.188  176.097 8.6085  -15.62364      14.11640 
1 1 1 -9  6   32 f 157.487 4.4545  3016.25    170.217  3010.37    241.404  3022.06    240.048  157.142 6.3313  157.452 6.2833  -0.3107147     8.919882 
1 1 1 -9  6   33 o 292.747 6.4781  10459.91   460.152  10323.48   652.748  10594.68   648.777  289.919 9.2791  293.771 9.1017  -3.851318      12.99778 
1 1 1 -9  6   34 o 260.244 5.9882  8267.15    378.128  8249.19    537.062  8284.82    532.475  259.144 8.5412  259.737 8.4489  -0.5935059     12.01402 
1 1 1 -9  6   35 o 55.500  4.6176  377.876    61.619   427.553    84.077   320.231    90.569   58.855  5.9701  50.534  7.6235  8.321426       9.682945 
1 1 1 -9  6   36 o 182.866 4.8387  4079.68    214.697  4178.48    305.301  3983.02    301.979  184.561 6.8175  180.166 6.9078  4.394882       9.705448 
1 1 1 -9  6   37 o 83.137  4.0855  842.412    82.414   810.918    115.587  874.980    117.540  81.156  5.9104  84.343  5.7783  -3.187111      8.265685 
1 1 1 -9  6   38 o 52.555  4.6731  339.988    58.969   355.225    80.980   322.787    86.039   53.408  6.3749  50.692  7.1971  2.715546       9.614508 
1 1 1 -9  6   39 o 65.331  5.1625  525.765    81.170   552.997    94.872   451.387    156.792  66.859  5.9090  58.794  11.402  8.064564       12.84237 
1 1 1 -9  6   40 o 97.304  5.7464  1166.77    135.069  1166.77    135.069  0.0000     0.0000   97.304  5.7464  ?       ?       0.000000       5.746375 
1 1 1 -9  6   41 o 144.299 7.8720  2595.07    274.581  2595.07    274.581  0.0000     0.0000   144.299 7.8720  ?       ?       0.000000       7.872023 
1 1 1 -9  6   42 f 62.849  5.5518  488.975    83.793   401.555    101.383  677.414    148.849  56.388  7.6038  73.173  8.5445  -16.78510      11.43788 
1 1 1 -9  6   43 o 18.574  6.9760  32.175     42.614   116.542    56.828   -76.2151   64.413   30.036  7.7469  14.427  6.8432  15.60884       10.33647 
1 1 1 -9  6   44 o 112.094 4.3649  1538.42    118.720  1666.58    169.210  1414.17    166.610  116.042 6.0304  106.709 6.4653  9.332748       8.841153 
1 1 1 -9  6   45 o 60.911  4.9366  458.843    72.334   564.344    104.481  361.732    100.241  67.160  6.4925  53.169  8.0194  13.99145       10.31808 
1 1 1 -9  6   46 o 31.009  8.6744  125.480    67.826   -111.4741  178.211  165.616    73.345   25.990  12.015  35.502  8.6043  -9.511824      14.77846 
1 1 1 -9  6   47 o 18.392  7.6310  13.285     55.922   -198.2155  181.090  35.580     58.795   23.764  11.329  20.736  8.0903  3.028051       13.92142 
1 1 1 -9  6   48 o 33.900  8.4729  151.975    69.503   0.0000     0.0000   151.975    69.503   ?       ?       33.900  8.4729  0.000000       8.472942 
1 1 1 -9  6   49 o 42.362  8.3025  235.983    82.289   0.0000     0.0000   235.983    82.289   ?       ?       42.362  8.3025  0.000000       8.302533 
1 1 1 -9  6   50 o 41.402  6.1162  218.299    59.592   279.576    87.204   164.612    81.625   46.249  8.0641  35.002  9.4084  11.24712       12.39140 
1 1 1 -9  6   51 f 17.804  7.1016  22.307     46.203   -23.4565   71.261   55.496     60.686   17.914  8.0080  22.760  8.3670  -4.845276      11.58164 
1 1 1 -9  6   52 o 44.389  6.0512  250.094    63.476   238.104    78.248   273.172    108.554  42.683  7.8444  44.849  10.205  -2.165539      12.87165 
1 1 1 -9  6   53 o 22.126  7.3632  59.500     46.252   48.963     53.122   92.516     94.032   21.411  7.8347  28.444  10.421  -7.032711      13.03794 
1 1 1 -9  6   54 o 35.274  6.3600  160.394    52.432   182.651    61.128   98.436     101.990  37.502  6.9745  29.297  10.834  8.204504       12.88444 
1 1 1 -9  6   55 o 37.484  6.9017  182.829    60.459   199.640    64.993   74.790     164.763  39.137  7.1058  31.398  13.069  7.739126       14.87560 
1 1 1 -9  7   1  o 660.501 18.281  53287.53   2929.84  54511.45   4158.41  52081.10   4128.60  665.837 25.739  650.685 26.150  15.15143       36.69219 
1 1 1 -9  7   2  o 402.608 11.538  19718.50   1127.10  20192.19   1609.37  19262.52   1578.98  406.867 16.302  397.381 16.376  9.486359       23.10680 
1 1 1 -9  7   3  o 566.136 15.863  39083.79   2179.05  39081.38   3098.21  39086.17   3065.33  564.633 22.614  564.730 22.370  -0.9710693E-01 31.80932 
1 1 1 -9  7   4  o 688.360 19.082  57913.79   3187.20  58535.88   4525.45  57301.55   4489.52  689.484 27.050  682.148 27.124  7.335571       38.30724 
1 1 1 -9  7   5  o 193.846 4.5174  4560.66    212.476  4537.35    299.846  4584.17    301.130  193.309 6.3927  194.304 6.3872  -0.9948120     9.036709 
1 1 1 -9  7   6  o 601.054 11.726  43953.02   1710.15  44428.19   2418.06  43477.51   2418.97  603.458 16.514  596.929 16.701  6.529297       23.48705 
1 1 1 -9  7   7  o 539.694 10.538  35418.40   1379.95  35226.99   1951.28  35609.92   1951.80  537.606 14.959  540.533 14.882  -2.926941      21.10028 
1 1 1 -9  7   8  o 528.078 10.512  33910.87   1346.97  34543.96   1904.72  33277.52   1905.09  532.387 14.745  522.491 15.027  9.896240       21.05286 
1 1 1 -9  7   9  o 242.743 5.4207  7153.21    319.277  7625.42    451.253  6679.85    451.798  250.558 7.4225  234.489 7.9407  16.06905       10.86957 
1 1 1 -9  7   10 o 194.779 4.6890  4604.97    221.608  4798.57    312.580  4409.33    314.229  198.787 6.4805  190.545 6.7965  8.241501       9.390922 
1 1 1 -9  7   11 o 463.788 9.3725  26148.77   1054.73  26519.50   1491.38  25777.80   1491.84  466.604 13.173  460.006 13.366  6.598419       18.76606 
1 1 1 -9  7   12 o 468.085 9.5380  26640.52   1083.29  27068.28   1531.92  26212.67   1532.10  471.323 13.395  463.781 13.615  7.542114       19.09963 
1 1 1 -9  7   13 o 441.462 8.8791  23692.69   951.102  24112.72   1345.16  23272.79   1344.97  444.915 12.460  437.066 12.682  7.849365       17.77930 
1 1 1 -9  7   14 o 225.484 5.2133  6173.09    285.226  6361.75    403.714  5985.08    403.030  228.819 7.2714  221.932 7.4843  6.887344       10.43495 
1 1 1 -9  7   15 o 244.185 5.5415  7241.05    328.332  7216.17    463.337  7266.14    465.333  243.645 7.8375  244.487 7.8441  -0.8417053     11.08856 
1 1 1 -9  7   16 o 175.280 4.4784  3730.17    190.465  3837.02    268.561  3622.04    270.164  177.710 6.2283  172.651 6.4490  5.059113       8.965558 
1 1 1 -9  7   17 o 364.301 7.6431  16143.55   675.609  16117.61   955.834  16169.45   955.076  363.525 10.836  364.114 10.810  -0.5887451     15.30651 
1 1 1 -9  7   18 o 210.690 5.0830  5392.93    259.853  5496.34    366.953  5288.92    368.024  212.558 7.1149  208.496 7.2747  4.062210       10.17559 
1 1 1 -9  7   19 o 199.592 6.8260  4847.30    330.580  4758.44    447.068  4954.49    491.041  197.503 9.3290  201.443 10.046  -3.939606      13.70973 
1 1 1 -9  7   20 f 311.178 9.3569  11821.63   706.486  11505.38   975.552  12170.41   1024.49  306.060 13.137  314.698 13.417  -8.638000      18.77709 
1 1 1 -9  7   21 o 201.627 6.7892  4949.82    332.146  4521.65    448.015  5472.38    494.932  192.366 9.5984  211.619 9.6389  -19.25313      13.60287 
1 1 1 -9  7   22 o 343.759 10.244  14455.91   854.438  14392.56   1183.27  14524.93   1235.11  341.678 14.273  343.025 14.839  -1.346497      20.58920 
1 1 1 -9  7   23 o 163.005 4.3837  3228.39    173.382  3155.74    245.691  3300.46    244.709  161.033 6.2880  164.697 6.1235  -3.664078      8.777015 
1 1 1 -9  7   24 o 283.072 6.1419  9749.91    421.856  9627.85    597.388  9871.33    595.804  280.869 8.7658  284.423 8.6333  -3.554626      12.30331 
1 1 1 -9  7   25 o 248.650 5.6738  7519.83    342.318  7531.19    484.794  7508.53    483.429  248.522 8.0395  248.150 8.0289  0.3724976      11.36205 
1 1 1 -9  7   26 o 145.141 4.3235  2559.57    152.261  2582.99    215.126  2536.05    215.536  145.697 6.0852  144.362 6.1532  1.334793       8.654029 
1 1 1 -9  7   27 o 121.773 4.0951  1801.54    120.998  1727.10    170.257  1877.51    171.990  119.142 5.8895  124.233 5.7056  -5.090714      8.199994 
1 1 1 -9  7   28 o 145.942 6.2654  2592.85    221.865  2621.12    347.922  2573.48    288.026  146.040 9.8766  144.988 8.2210  1.051697       12.85039 
1 1 1 -9  7   29 o 143.274 6.2577  2499.53    217.544  2706.90    341.419  2357.79    282.260  148.443 9.5294  138.696 8.4272  9.747498       12.72113 
1 1 1 -9  7   30 o 161.012 6.6714  3159.65    260.640  2801.59    403.813  3415.33    341.239  150.608 11.129  166.961 8.4508  -16.35246      13.97389 
1 1 1 -9  7   31 o 136.802 4.3383  2275.48    144.004  2168.66    205.193  2379.15    202.145  133.387 6.3399  139.748 5.9615  -6.361023      8.702528 
1 1 1 -9  7   32 o 167.642 4.5277  3419.10    184.172  3232.40    261.176  3603.77    259.748  162.743 6.6140  171.896 6.2276  -9.152435      9.084538 
1 1 1 -9  7   33 o 85.286  4.0774  884.834    84.377   910.714    116.583  856.365    122.274  86.241  5.6016  83.548  6.0731  2.693169       8.262047 
1 1 1 -9  7   34 o 102.171 4.0929  1270.58    101.467  1272.02    142.675  1269.12    144.332  101.901 5.7943  101.772 5.8697  0.1292572      8.247877 
1 1 1 -9  7   35 o 70.656  4.2229  610.289    72.067   697.844    99.035   511.743    105.068  75.394  5.4503  64.251  6.8448  11.14249       8.749755 
1 1 1 -9  7   36 o 36.692  5.7508  168.635    49.517   134.591    65.225   214.950    76.077   32.401  8.2690  41.086  7.9185  -8.685116      11.44890 
1 1 1 -9  7   37 o 59.934  4.5522  441.011    65.705   407.572    89.320   480.444    96.995   57.232  6.5500  62.202  6.5237  -4.970352      9.244530 
1 1 1 -9  7   38 o 68.064  5.0942  570.071    83.521   590.004    98.988   520.814    155.606  69.074  5.9647  63.616  10.443  5.457623       12.02659 
1 1 1 -9  7   39 o 86.040  5.8812  913.651    122.045  913.651    122.045  0.0000     0.0000   86.040  5.8812  ?       ?       0.000000       5.881195 
1 1 1 -9  7   40 o 57.166  6.9306  409.457    94.167   409.457    94.167   0.0000     0.0000   57.166  6.9306  ?       ?       0.000000       6.930581 
1 1 1 -9  7   41 o 117.771 5.6751  1704.95    162.173  1708.39    204.523  1699.13    266.160  117.208 7.2268  115.845 9.5542  1.363342       11.97951 
1 1 1 -9  7   42 o 60.407  5.6131  452.475    81.332   416.759    97.234   535.680    148.409  57.573  7.1116  64.477  9.7942  -6.904530      12.10375 
1 1 1 -9  7   43 o 23.401  7.5562  66.628     48.866   136.089    79.175   23.886     62.107   32.452  9.4686  20.205  8.1724  12.24670       12.50765 
1 1 1 -9  7   44 o 111.821 4.3402  1531.79    117.759  1592.28    170.243  1476.28    163.061  113.274 6.2179  109.070 6.1869  4.203758       8.771536 
1 1 1 -9  7   45 o 86.744  4.3228  922.679    90.986   889.105    132.520  952.619    125.143  84.349  6.5258  87.546  5.9262  -3.196991      8.815040 
1 1 1 -9  7   46 o 38.412  8.5883  194.067    78.037   282.163    204.560  179.063    84.421   45.326  15.485  36.717  9.4274  8.609180       18.12926 
1 1 1 -9  7   47 o 25.570  8.8305  77.653     66.581   0.0000     0.0000   77.653     66.581   ?       ?       25.570  8.8305  0.000000       8.830498 
1 1 1 -9  7   48 o 25.825  8.8051  80.869     66.137   0.0000     0.0000   80.869     66.137   ?       ?       25.825  8.8051  0.000000       8.805115 
1 1 1 -9  7   49 o 23.511  7.7020  68.340     50.680   180.934    77.646   -15.2321   66.894   36.815  8.8099  17.803  7.8697  19.01115       11.81302 
1 1 1 -9  7   50 o 43.505  5.9284  240.091    60.950   253.777    88.888   227.945    83.737   43.761  8.6778  41.447  8.6078  2.313679       12.22284 
1 1 1 -9  7   51 o 18.771  7.3349  29.006     48.384   49.420     72.855   12.899     64.717   23.270  9.0261  19.429  8.1467  3.841377       12.15894 
1 1 1 -9  7   52 o 56.548  5.5194  400.911    74.766   319.112    96.210   525.629    118.798  49.362  8.3292  63.863  7.8305  -14.50144      11.43203 
1 1 1 -9  7   53 o 38.358  6.7389  190.043    60.432   84.353     74.310   396.462    103.849  26.549  9.3198  55.247  7.9781  -28.69791      12.26819 
1 1 1 -9  7   54 o 58.897  5.8858  437.735    82.986   407.035    91.508   579.906    196.923  56.403  6.8253  63.561  13.200  -7.157974      14.86039 
1 1 1 -9  8   1  o 199.459 6.8010  4831.21    329.149  4310.34    479.357  5295.88    452.755  187.980 10.552  208.759 8.9383  -20.77893      13.82905 
1 1 1 -9  8   2  f 375.686 11.096  17166.63   1011.50  15656.43   1445.59  18615.26   1415.81  358.215 16.632  390.815 14.930  -32.59998      22.35021 
1 1 1 -9  8   3  o 274.822 8.3921  9176.32    559.611  9477.10    807.143  8897.90    776.562  279.083 11.919  270.426 11.835  8.657135       16.79686 
1 1 1 -9  8   4  o 368.748 7.5043  16515.86   671.433  16110.91   948.440  16922.71   950.664  363.977 10.739  373.054 10.502  -9.076874      15.02106 
1 1 1 -9  8   5  o 454.794 9.1606  25137.59   1010.88  25270.33   1428.61  25004.48   1430.59  455.599 12.923  453.185 13.010  2.413361       18.33759 
1 1 1 -9  8   6  o 187.371 4.5558  4261.16    207.123  4318.71    292.191  4203.04    293.647  188.592 6.3853  186.046 6.5049  2.545837       9.115120 
1 1 1 -9  8   7  o 626.929 12.522  47843.74   1904.82  49239.77   2693.50  46447.05   2694.14  635.003 17.481  616.610 18.007  18.39282       25.09699 
1 1 1 -9  8   8  o 512.852 10.317  31983.62   1283.85  32171.86   1815.50  31795.32   1815.78  513.767 14.563  510.738 14.652  3.029755       20.65866 
1 1 1 -9  8   9  o 493.067 9.8950  29559.81   1183.82  29685.86   1673.95  29433.69   1674.39  493.578 13.977  491.467 14.041  2.110657       19.81199 
1 1 1 -9  8   10 o 455.630 9.2383  25236.38   1021.34  25414.82   1444.04  25057.76   1444.74  456.788 13.029  453.554 13.128  3.233856       18.49562 
1 1 1 -9  8   11 o 292.637 6.1945  10399.29   439.846  10711.73   621.503  10085.78   622.571  296.869 8.6281  288.047 8.9076  8.821838       12.40119 
1 1 1 -9  8   12 o 258.546 5.7493  8116.87    360.678  8093.26    509.936  8140.50    510.215  258.056 8.1440  258.809 8.1247  -0.7532349     11.50373 
1 1 1 -9  8   13 o 369.448 7.5270  16586.37   674.743  16360.12   954.196  16812.65   954.265  366.611 10.727  371.663 10.582  -5.052307      15.06772 
1 1 1 -9  8   14 o 383.585 7.9741  17887.48   742.177  17830.86   1049.64  17944.08   1049.56  382.582 11.307  383.799 11.270  -1.217834      15.96467 
1 1 1 -9  8   15 o 283.832 6.2071  9787.88    427.478  9942.07    604.898  9634.05    604.195  285.857 8.7210  281.382 8.8494  4.474945       12.42455 
1 1 1 -9  8   16 o 218.068 5.2486  5776.38    277.717  5897.58    391.563  5653.70    393.952  220.215 7.3281  215.600 7.5306  4.615738       10.50766 
1 1 1 -9  8   17 o 195.910 4.8008  4662.08    228.208  4894.27    321.924  4427.54    323.552  200.619 6.6133  190.788 6.9892  9.831253       9.622108 
1 1 1 -9  8   18 o 225.336 5.2485  6170.79    286.966  6080.79    405.259  6261.29    406.406  223.489 7.4733  226.791 7.3853  -3.302017      10.50682 
1 1 1 -9  8   19 o 431.316 12.211  22809.40   1277.95  21199.68   1782.19  24513.14   1833.50  413.399 17.767  444.956 16.982  -31.55704      24.57804 
1 1 1 -9  8   20 o 133.094 5.6385  2154.40    182.090  2096.43    238.771  2234.98    281.502  130.949 7.5467  135.066 8.6347  -4.116989      11.46786 
1 1 1 -9  8   21 o 76.875  5.3920  722.166    99.941   832.292    125.696  532.882    164.791  82.454  6.3310  65.128  10.807  17.32585       12.52477 
1 1 1 -9  8   22 o 95.762  3.8194  1113.83    88.746   1086.94    125.554  1140.67    125.457  94.381  5.5065  96.707  5.3676  -2.325806      7.689791 
1 1 1 -9  8   23 o 288.452 6.2515  10125.41   437.547  9944.75    619.548  10305.19   618.024  285.410 8.9463  290.573 8.7657  -5.162445      12.52490 
1 1 1 -9  8   24 o 25.389  6.5946  81.392     40.991   81.759     57.533   81.014     58.416   26.048  8.1754  26.009  8.2473  0.3914070E-01  11.61272 
1 1 1 -9  8   25 o 106.352 4.0628  1374.06    104.842  1301.76    147.524  1447.82    149.024  103.273 5.9118  108.956 5.6563  -5.683685      8.181930 
1 1 1 -9  8   26 o 190.595 4.8723  4415.84    225.323  4335.31    319.013  4496.02    318.298  188.655 6.9691  192.136 6.8275  -3.480362      9.756182 
1 1 1 -9  8   27 o 111.645 6.0510  1521.43    163.306  1644.34    261.579  1442.93    209.051  115.603 9.4071  108.466 7.9996  7.136642       12.34854 
1 1 1 -9  8   28 o 246.616 8.2247  7424.89    492.160  7161.39    732.048  7642.23    664.835  240.888 12.568  249.593 10.978  -8.704834      16.68740 
1 1 1 -9  8   29 o 261.727 8.6622  8373.59    550.097  7776.11    816.155  8870.98    744.661  250.539 13.475  268.641 11.424  -18.10193      17.66601 
1 1 1 -9  8   30 o 83.213  4.1102  841.674    82.988   782.128    116.056  903.979    118.715  79.903  6.0305  85.972  5.7236  -6.069427      8.314263 
1 1 1 -9  8   31 o 184.079 4.8392  4123.60    216.144  4301.08    307.810  3950.95    303.583  187.726 6.7576  179.891 6.9551  7.834854       9.697342 
1 1 1 -9  8   32 o 180.433 4.8119  3963.99    210.665  3978.26    299.284  3949.97    296.583  180.426 6.8363  179.791 6.7985  0.6356201      9.641314 
1 1 1 -9  8   33 o 19.233  6.9304  37.887     41.338   109.027    54.188   -61.1476   63.935   29.278  7.5714  15.130  7.0630  14.14803       10.35434 
1 1 1 -9  8   34 o 78.581  4.1298  754.015    78.467   793.066    108.814  711.710    113.257  80.381  5.6144  76.027  6.1933  4.354851       8.359346 
1 1 1 -9  8   35 o 62.629  4.4286  480.621    66.865   457.398    90.531   508.495    99.182   60.792  6.2253  64.082  6.4671  -3.290558      8.976489 
1 1 1 -9  8   36 o 45.967  5.0627  261.333    55.530   330.768    76.385   183.506    80.870   51.559  6.2322  37.714  8.9685  13.84554       10.92124 
1 1 1 -9  8   37 o 62.461  5.1905  480.736    77.954   532.249    91.746   346.996    147.829  65.619  5.8228  51.292  12.078  14.32675       13.40811 
1 1 1 -9  8   38 o 47.681  7.0949  286.617    79.582   286.617    79.582   0.0000     0.0000   47.681  7.0949  ?       ?       0.000000       7.094889 
1 1 1 -9  8   39 o 51.270  6.6432  329.482    80.701   329.482    80.701   0.0000     0.0000   51.270  6.6432  ?       ?       0.000000       6.643232 
1 1 1 -9  8   40 o 68.235  5.5359  575.522    90.865   568.114    110.220  591.237    160.536  67.468  6.8268  67.782  10.067  -0.3137360     12.16322 
1 1 1 -9  8   41 o 94.853  5.6088  1110.00    128.514  1103.66    157.590  1122.59    222.052  94.165  6.9462  93.778  9.9087  0.3875732      12.10097 
1 1 1 -9  8   42 o 69.370  4.3415  591.138    72.707   599.733    108.690  584.178    97.814   69.338  6.5375  68.591  5.9357  0.7473145      8.830140 
1 1 1 -9  8   43 o 111.587 4.2085  1524.14    113.948  1713.13    164.015  1347.82    158.425  117.855 5.7355  104.185 6.2965  13.67055       8.517142 
1 1 1 -9  8   44 o 47.087  5.5038  277.059    61.696   372.800    94.916   207.010    81.188   54.151  7.4188  39.772  8.6586  14.37952       11.40222 
1 1 1 -9  8   45 o 70.064  6.5847  616.391    110.629  815.448    231.695  557.609    125.908  77.457  12.773  66.073  8.0178  11.38388       15.08124 
1 1 1 -9  8   46 o 32.049  9.0915  135.327    73.966   339.370    198.347  102.369    79.716   48.657  15.165  28.760  9.6676  19.89724       17.98415 
1 1 1 -9  8   47 o 50.157  7.5563  324.125    89.108   0.0000     0.0000   324.125    89.108   ?       ?       50.157  7.5563  0.000000       7.556329 
1 1 1 -9  8   48 o 11.956  5.6269  -43.6535   41.998   9.6496     65.277   -81.3011   54.860   19.273  8.1368  12.536  6.0432  6.736848       10.13547 
1 1 1 -9  8   49 o 47.772  5.5046  287.157    62.639   181.345    90.762   383.392    86.558   36.573  9.9591  54.884  6.6344  -18.31107      11.96655 
1 1 1 -9  8   50 o 67.004  4.8156  557.709    77.769   526.584    109.634  589.233    110.334  64.200  7.1600  68.127  6.7640  -3.927582      9.849715 
1 1 1 -9  8   51 o 34.921  7.8762  160.945    65.147   137.421    83.052   198.570    105.034  32.169  9.7757  38.084  10.844  -5.914452      14.60021 
1 1 1 -9  8   52 o 54.674  5.8207  376.600    76.030   354.232    97.912   410.573    120.664  52.176  7.9883  55.648  9.2620  -3.472252      12.23104 
1 1 1 -9  8   53 o 19.127  8.1611  5.5782     66.859   -19.3865   72.799   140.095    168.986  18.313  8.1465  35.134  13.714  -16.82133      15.95081 
1 1 1 -9  8   54 f 27.067  7.7881  96.531     53.900   95.493     57.082   105.071    163.737  26.977  8.0836  32.750  13.261  -5.773071      15.53082 
1 1 1 -9  9   1  o 189.958 6.4607  4381.57    297.782  4685.72    435.090  4113.55    408.429  196.355 9.1322  183.976 9.1494  12.37917       12.92701 
1 1 1 -9  9   2  o 423.653 8.6340  21809.01   887.535  22314.74   1253.72  21300.94   1256.61  428.218 12.066  418.344 12.380  9.874023       17.28719 
1 1 1 -9  9   3  o 308.455 6.5924  11553.56   493.401  11790.89   696.434  11314.39   699.123  311.470 9.2151  305.098 9.4439  6.372375       13.19487 
1 1 1 -9  9   4  o 641.724 12.606  50130.11   1962.91  49931.95   2774.75  50328.62   2777.21  639.363 17.886  641.911 17.831  -2.547974      25.25554 
1 1 1 -9  9   5  o 599.801 11.652  43773.95   1695.77  43918.27   2397.02  43629.34   2399.35  599.917 16.467  597.926 16.538  1.991577       23.33812 
1 1 1 -9  9   6  o 105.156 3.6298  1341.93    92.616   1286.97    130.437  1397.81    131.529  102.830 5.2452  107.309 5.0515  -4.478340      7.282137 
1 1 1 -9  9   7  o 157.685 4.2119  3017.78    161.152  2898.75    227.083  3138.54    228.732  154.511 6.0570  160.779 5.8632  -6.267944      8.429981 
1 1 1 -9  9   8  o 374.473 7.8082  17036.63   709.470  16786.88   1003.07  17286.64   1003.61  371.449 11.129  376.953 10.973  -5.503632      15.62892 
1 1 1 -9  9   9  o 708.707 13.958  61219.52   2400.31  60638.56   3394.57  61800.46   3394.52  703.656 19.882  710.429 19.692  -6.772766      27.98352 
1 1 1 -9  9   10 o 143.232 4.1708  2490.02    144.951  2677.85    204.155  2299.08    205.838  148.508 5.6656  137.595 6.1654  10.91347       8.373225 
1 1 1 -9  9   11 o 259.348 5.7779  8167.51    363.592  8554.88    513.884  7779.20    514.510  265.318 7.9824  252.982 8.3819  12.33638       11.57474 
1 1 1 -9  9   12 o 236.363 5.3072  6783.50    304.376  6756.10    429.839  6811.06    431.070  235.787 7.5132  236.745 7.5042  -0.9576721     10.61887 
1 1 1 -9  9   13 o 155.002 4.3237  2916.60    162.613  3028.65    229.728  2804.07    230.210  157.907 5.9958  151.932 6.2447  5.974792       8.657140 
1 1 1 -9  9   14 o 325.210 6.8626  12854.14   541.520  13057.14   765.775  12651.09   765.874  327.483 9.6372  322.332 9.7924  5.150696       13.73922 
1 1 1 -9  9   15 o 241.766 5.5179  7100.98    323.694  6920.94    457.831  7280.94    457.715  238.508 7.9111  244.650 7.7106  -6.141602      11.04710 
1 1 1 -9  9   16 o 166.315 4.3307  3359.17    174.763  3407.16    247.621  3311.55    246.688  167.417 6.0957  165.048 6.1599  2.369202       8.666133 
1 1 1 -9  9   17 o 153.891 4.1846  2876.32    156.256  2794.31    218.876  2961.56    223.145  151.597 5.9504  156.071 5.8925  -4.474014      8.374263 
1 1 1 -9  9   18 o 93.029  5.5985  1056.09    125.784  1049.92    153.620  1068.65    219.107  92.618  6.8850  93.022  9.8577  -0.4036484     12.02405 
1 1 1 -9  9   19 o 157.328 6.1120  3011.68    233.319  2832.20    303.729  3270.07    364.430  152.165 8.2573  163.379 9.2307  -11.21382      12.38502 
1 1 1 -9  9   20 o 271.746 8.3343  9009.44    549.533  8283.72    751.382  9844.05    805.780  259.812 11.919  283.279 11.723  -23.46683      16.71792 
1 1 1 -9  9   21 o 171.760 4.5131  3584.97    188.088  3587.59    266.426  3582.36    265.570  171.682 6.3957  171.558 6.3797  0.1236420      9.033597 
1 1 1 -9  9   22 o 243.229 5.4739  7194.41    323.053  7299.17    457.696  7090.42    456.039  244.708 7.7084  241.171 7.7931  3.537125       10.96140 
1 1 1 -9  9   23 o 156.869 4.2877  2989.81    163.201  2978.84    231.624  3000.62    229.988  156.464 6.1010  157.040 6.0357  -0.5758972     8.582125 
1 1 1 -9  9   24 o 148.350 4.3087  2674.02    155.095  2651.94    218.523  2696.43    220.160  147.626 6.1006  148.859 6.0954  -1.233368      8.623840 
1 1 1 -9  9   25 o 9.3066  4.6110  -92.5428   39.124   -64.7548   51.254   -131.3427  60.563   12.796  6.0796  11.919  5.8741  0.8773136      8.453783 
1 1 1 -9  9   26 o 178.671 5.6336  3883.62    244.231  3653.71    451.821  3978.54    290.298  172.329 10.861  180.747 6.6193  -8.417740      12.71915 
1 1 1 -9  9   27 o 183.304 6.8355  4093.94    304.024  4284.23    464.804  3951.65    401.927  186.733 10.298  179.537 9.2578  7.195999       13.84787 
1 1 1 -9  9   28 o 311.169 9.7006  11857.32   732.416  11669.62   1073.44  12020.82   1001.85  306.976 14.411  312.060 13.231  -5.083282      19.56415 
1 1 1 -9  9   29 o 230.068 7.7111  6464.04    430.466  6938.58    649.434  6092.17    574.900  237.480 11.271  222.693 10.639  14.78679       15.49915 
1 1 1 -9  9   30 o 303.186 6.7836  11217.22   499.038  11292.57   707.681  11142.69   703.827  303.313 9.6157  301.289 9.6276  2.023804       13.60710 
1 1 1 -9  9   31 o 375.415 7.8118  17255.72   711.587  16983.22   1008.49  17525.90   1004.20  370.653 11.213  376.668 10.987  -6.015106      15.69923 
1 1 1 -9  9   32 o 164.877 4.5462  3310.26    181.876  3248.48    257.551  3371.72    256.874  163.016 6.5113  166.105 6.3734  -3.089508      9.111407 
1 1 1 -9  9   33 o 115.445 4.1297  1622.75    115.679  1578.94    164.266  1665.86    162.931  113.496 5.9861  116.770 5.7505  -3.274254      8.300698 
1 1 1 -9  9   34 o 163.376 4.5923  3255.21    182.048  3115.42    258.227  3393.34    256.690  159.367 6.6779  166.409 6.3572  -7.042068      9.219993 
1 1 1 -9  9   35 o 128.768 4.2318  2021.93    132.218  1923.48    186.738  2120.91    187.232  125.240 6.1451  131.573 5.8647  -6.333054      8.494529 
1 1 1 -9  9   36 o 172.103 4.7339  3619.48    197.684  3551.37    280.613  3686.59    278.533  169.824 6.8100  173.093 6.6318  -3.269028      9.505626 
1 1 1 -9  9   37 o 127.213 5.0456  1981.21    155.744  1926.95    186.022  2108.38    284.803  125.192 6.1239  129.626 9.1129  -4.433968      10.97941 
1 1 1 -9  9   38 o 38.058  7.9587  186.376    71.131   186.376    71.131   0.0000     0.0000   38.058  7.9587  ?       ?       0.000000       7.958730 
1 1 1 -9  9   39 o 52.175  7.4855  344.134    92.051   344.134    92.051   0.0000     0.0000   52.175  7.4855  ?       ?       0.000000       7.485537 
1 1 1 -9  9   40 o 70.847  5.8237  621.723    99.225   794.753    120.307  253.622    175.474  80.044  6.2438  44.048  14.327  35.99571       15.62830 
1 1 1 -9  9   41 o 49.022  4.9058  297.592    57.571   288.735    87.020   304.486    76.773   47.557  7.8126  49.200  6.5971  -1.643665      10.22543 
1 1 1 -9  9   42 o 29.985  7.0371  116.078    50.320   61.115     78.405   154.573    65.616   25.081  9.4540  34.494  7.9957  -9.413246      12.38184 
1 1 1 -9  9   43 o 31.310  7.0937  126.824    52.644   212.718    81.487   65.295     68.968   40.364  8.5842  24.631  8.9401  15.73305       12.39411 
1 1 1 -9  9   44 o 46.484  6.5881  273.870    72.226   34.367     206.012  307.434    77.122   33.143  14.238  49.289  6.6156  -16.14607      15.70004 
1 1 1 -9  9   45 o 17.368  7.4074  2.2981     55.032   -114.8009  167.720  16.426     58.258   24.842  11.544  18.960  7.8211  5.881456       13.94407 
1 1 1 -9  9   46 o 87.811  7.6429  981.380    161.221  0.0000     0.0000   981.380    161.221  ?       ?       87.811  7.6429  0.000000       7.642930 
1 1 1 -9  9   47 f 35.437  6.4671  161.767    53.558   116.868    79.407   199.238    72.541   30.053  9.6248  38.944  7.9459  -8.890757      12.48089 
1 1 1 -9  9   48 o 66.636  4.8517  551.810    77.907   686.424    110.553  419.014    109.804  73.817  6.2306  56.735  8.2154  17.08209       10.31085 
1 1 1 -9  9   49 o 41.035  6.1162  214.758    59.038   180.455    86.604   244.538    80.694   36.521  9.6341  43.172  7.9977  -6.651836      12.52113 
1 1 1 -9  9   50 o 47.220  5.6346  281.160    63.283   265.338    91.830   295.469    87.330   44.712  8.7777  47.633  7.8280  -2.920715      11.76114 
1 1 1 -9  9   51 o 36.533  7.8531  175.935    67.541   150.871    84.349   220.720    112.752  33.525  9.7706  39.965  11.186  -6.440891      14.85208 
1 1 1 -9  9   52 o 23.034  8.4088  58.246     61.140   42.587     74.626   90.218     106.633  22.820  9.0496  28.916  10.995  -6.095692      14.24020 
1 1 1 -9  9   53 o 23.367  8.8917  54.935     69.772   60.921     75.164   17.648     187.603  24.336  9.2364  30.305  13.295  -5.969101      16.18873 
1 1 1 -9  10  1  o 714.504 14.056  62200.10   2436.83  60368.18   3444.09  64036.48   3448.30  702.314 20.211  723.513 19.642  -21.19885      28.18319 
1 1 1 -9  10  2  o 150.903 4.1350  2763.71    151.406  2863.14    213.176  2662.51    215.078  153.568 5.7210  148.085 5.9858  5.483078       8.280090 
1 1 1 -9  10  3  o 114.213 3.7412  1583.06    103.679  1736.83    145.441  1424.18    147.836  119.617 5.0111  108.161 5.6527  11.45559       7.554073 
1 1 1 -9  10  4  o 535.828 10.741  34921.50   1396.52  34874.29   1973.77  34968.82   1976.19  534.782 15.211  535.507 15.209  -0.7247314     21.51008 
1 1 1 -9  10  5  o 371.424 7.4545  16757.81   671.823  17006.82   949.040  16507.68   951.166  373.948 10.459  368.403 10.641  5.544250       14.92060 
1 1 1 -9  10  6  o 86.880  3.6358  916.032    76.646   944.494    107.713  886.839    109.087  88.062  5.0623  85.306  5.2964  2.755646       7.326556 
1 1 1 -9  10  7  o 363.163 7.4535  16021.75   656.789  16908.96   928.091  15131.67   929.591  372.863 10.258  352.670 10.863  20.19284       14.94134 
1 1 1 -9  10  8  o 377.411 7.8103  17306.80   715.233  17146.46   1010.98  17467.46   1012.01  375.371 11.100  378.878 11.008  -3.506866      15.63296 
1 1 1 -9  10  9  o 166.765 4.4423  3375.72    179.751  3436.17    254.091  3315.15    254.322  168.210 6.2255  165.218 6.3440  2.992050       8.888362 
1 1 1 -9  10  10 o 521.679 10.537  33119.20   1333.75  32771.15   1886.33  33467.16   1886.09  518.110 15.005  523.618 14.845  -5.507568      21.10744 
1 1 1 -9  10  11 o 174.117 4.4207  3680.20    186.767  3450.35    263.287  3913.01    264.977  168.536 6.4383  179.492 6.0841  -10.95621      8.858281 
1 1 1 -9  10  12 o 157.188 4.2640  2999.45    162.629  2944.46    229.738  3054.68    230.247  155.691 6.0814  158.581 5.9838  -2.890305      8.531685 
1 1 1 -9  10  13 o 129.214 3.9544  2026.83    123.981  1958.13    174.043  2097.62    176.659  126.965 5.6495  131.412 5.5403  -4.447784      7.912784 
1 1 1 -9  10  14 o 53.416  4.0578  348.425    52.200   359.639    74.369   337.535    73.286   54.101  5.7536  52.379  5.8672  1.721668       8.217532 
1 1 1 -9  10  15 o 142.580 4.1135  2468.60    142.309  2534.50    201.299  2402.75    201.212  144.408 5.7449  140.598 5.8981  3.810333       8.233564 
1 1 1 -9  10  16 o 179.324 4.4575  3906.18    193.951  3739.45    274.348  4072.77    274.230  175.335 6.4486  183.003 6.1758  -7.667389      8.928916 
1 1 1 -9  10  17 o 147.718 5.8487  2653.75    209.629  2560.75    277.443  2777.50    320.015  144.744 7.9299  150.638 8.7935  -5.894363      11.84099 
1 1 1 -9  10  18 o 214.113 7.2222  5584.65    375.214  5507.72    504.615  5679.78    561.141  212.269 9.7973  215.398 10.737  -3.128220      14.53488 
1 1 1 -9  10  19 o 438.279 12.588  23606.63   1338.62  22937.78   1866.94  24314.31   1920.39  429.209 17.927  441.911 17.910  -12.70175      25.34013 
1 1 1 -9  10  20 o 165.485 4.3925  3327.60    176.374  3237.03    247.615  3420.89    251.288  163.087 6.2574  167.661 6.1770  -4.574387      8.792609 
1 1 1 -9  10  21 o 141.580 4.1890  2435.27    143.904  2406.46    201.119  2465.49    205.992  140.643 5.8935  142.353 5.9638  -1.709686      8.384473 
1 1 1 -9  10  22 o 138.277 4.1605  2322.95    139.592  2296.42    198.089  2349.12    196.745  137.386 5.9423  138.961 5.8351  -1.574509      8.328187 
1 1 1 -9  10  23 o 196.796 4.9530  4707.98    236.511  4706.92    334.819  4709.04    334.135  196.576 7.0197  196.622 7.0037  -0.4597473E-01 9.915994 
1 1 1 -9  10  24 o 271.842 6.1153  8993.45    403.364  8784.42    571.011  9201.65    569.877  268.222 8.7738  274.561 8.5542  -6.339417      12.25369 
1 1 1 -9  10  25 o 191.177 5.4088  4445.40    250.900  4509.82    312.878  4329.34    419.955  192.427 6.7011  188.214 9.1958  4.212875       11.37833 
1 1 1 -9  10  26 o 220.469 7.6523  5928.68    409.355  5639.93    614.273  6159.36    549.036  213.910 11.882  224.274 10.089  -10.36449      15.58745 
1 1 1 -9  10  27 o 423.982 11.250  22082.29   1157.39  28479.55   1674.66  16232.61   1601.38  479.609 14.390  359.364 18.427  120.2456       23.38052 
1 1 1 -9  10  28 o 44.218  9.1582  248.092    95.026   315.427    162.062  212.811    117.309  49.647  13.218  40.986  11.388  8.660706       17.44710 
1 1 1 -9  10  29 o 290.771 6.5704  10312.45   463.562  10335.19   656.942  10289.90   654.219  290.306 9.3262  289.676 9.3078  0.6307068      13.17626 
1 1 1 -9  10  30 o 204.154 4.9105  5074.33    243.249  5024.07    345.271  5123.86    342.753  202.769 7.0177  204.798 6.8975  -2.028702      9.839911 
1 1 1 -9  10  31 o 149.566 4.3976  2723.05    159.592  2795.03    225.451  2650.76    225.945  151.289 6.1416  147.304 6.3215  3.984772       8.813691 
1 1 1 -9  10  32 o 152.185 4.4631  2821.34    164.807  2871.52    233.652  2771.66    232.496  153.225 6.2846  150.521 6.3658  2.703644       8.945345 
1 1 1 -9  10  33 o 63.408  4.3337  492.252    66.277   412.829    91.594   579.542    96.023   57.652  6.6709  68.594  5.8244  -10.94173      8.855724 
1 1 1 -9  10  34 o 35.829  5.7835  161.073    48.567   180.919    62.749   131.421    76.700   37.756  7.1104  32.165  9.3007  5.590668       11.70732 
1 1 1 -9  10  35 o 36.392  5.6926  166.088    48.619   168.381    63.930   162.943    74.876   36.288  7.5082  35.531  8.7443  0.7573547      11.52549 
1 1 1 -9  10  36 o 35.717  6.8201  162.332    56.950   153.621    65.811   188.302    113.632  34.527  8.0105  38.206  11.395  -3.679108      13.92928 
1 1 1 -9  10  37 o 99.252  5.8846  1215.04    141.084  1215.04    141.084  0.0000     0.0000   99.252  5.8846  ?       ?       0.000000       5.884608 
1 1 1 -9  10  38 o 59.269  7.2238  441.173    101.736  441.173    101.736  0.0000     0.0000   59.269  7.2238  ?       ?       0.000000       7.223785 
1 1 1 -9  10  39 o 98.220  5.7140  1190.46    135.589  1280.19    168.113  1023.45    229.349  101.493 6.8669  89.100  10.831  12.39354       12.82468 
1 1 1 -9  10  40 o 77.474  5.4886  741.633    102.509  660.304    124.483  912.968    180.682  72.612  7.1586  84.825  8.9118  -12.21340      11.43091 
1 1 1 -9  10  41 o 80.221  4.5866  791.244    88.906   843.054    127.885  742.783    123.684  82.290  6.4567  77.143  6.6734  5.146751       9.285643 
1 1 1 -9  10  42 o 52.234  5.1730  338.885    64.701   271.544    95.164   396.771    88.231   45.645  8.9122  56.179  6.5982  -10.53412      11.08889 
1 1 1 -9  10  43 o 35.887  6.5340  164.809    54.799   60.705     87.411   232.214    70.336   25.699  9.9094  42.612  7.0491  -16.91343      12.16088 
1 1 1 -9  10  44 o 31.986  8.5806  134.568    67.974   -165.6528  177.739  186.000    73.566   24.296  11.477  37.647  8.2787  -13.35143      14.15143 
1 1 1 -9  10  45 o 33.950  9.3969  153.395    80.039   0.0000     0.0000   153.395    80.039   ?       ?       33.950  9.3969  0.000000       9.396896 
1 1 1 -9  10  46 o 43.329  8.0815  245.866    81.838   0.0000     0.0000   245.866    81.838   ?       ?       43.329  8.0815  0.000000       8.081470 
1 1 1 -9  10  47 o 28.509  7.4019  106.789    51.654   187.038    76.969   41.030     69.675   37.452  8.6451  22.244  8.7687  15.20822       12.31371 
1 1 1 -9  10  48 o 41.324  6.0805  217.678    59.146   250.625    85.315   187.190    82.070   43.562  8.3757  37.299  9.1397  6.262722       12.39702 
1 1 1 -9  10  49 o 33.282  6.8624  144.327    53.577   213.691    78.041   82.493     73.684   40.185  8.2793  26.326  9.2773  13.85928       12.43441 
1 1 1 -9  10  50 o 35.549  8.1303  167.535    68.605   169.064    85.151   164.708    115.817  35.375  9.6519  35.147  11.650  0.2287445      15.12851 
1 1 1 -9  10  51 o 30.996  8.5341  127.855    66.218   69.361     81.446   241.913    113.731  25.621  9.6400  41.758  11.052  -16.13720      14.66551 
1 1 1 -9  10  52 o 29.874  9.4237  117.538    76.345   143.223    82.962   -24.4968   195.087  32.604  9.7398  29.324  13.169  3.279099       16.37943 
1 1 1 -9  11  1  o 315.141 6.7742  12061.18   517.998  12726.82   730.594  11388.32   734.540  323.572 9.3055  306.046 9.8916  17.52649       13.58072 
1 1 1 -9  11  2  o 320.556 6.6426  12478.87   516.661  13618.91   728.937  11327.93   732.414  334.741 8.9746  305.231 9.8893  29.51022       13.35447 
1 1 1 -9  11  3  o 221.955 5.0820  5980.29    273.693  5893.74    385.856  6067.93    388.275  220.277 7.2193  223.511 7.1594  -3.233597      10.16734 
1 1 1 -9  11  4  o 550.263 10.976  36837.84   1465.53  37164.20   2071.28  36510.66   2073.86  551.934 15.466  547.029 15.624  4.905701       21.98478 
1 1 1 -9  11  5  o 200.150 4.7941  4862.79    232.825  4622.75    328.482  5105.13    330.053  195.089 6.9393  205.026 6.6345  -9.936325      9.600562 
1 1 1 -9  11  6  o 98.776  4.0872  1184.18    97.959   1251.66    159.936  1143.67    123.924  101.309 6.5413  96.914  5.2899  4.394318       8.412597 
1 1 1 -9  11  7  o 567.213 11.198  39158.14   1541.23  39592.93   2178.65  38722.57   2180.61  569.457 15.767  563.119 15.959  6.337585       22.43463 
1 1 1 -9  11  8  o 692.653 13.522  58494.19   2272.66  58413.07   3213.29  58575.37   3214.76  690.451 19.180  691.417 19.162  -0.9649658     27.11213 
1 1 1 -9  11  9  o 403.810 8.3172  19822.52   814.927  19433.62   1152.11  20211.92   1152.85  399.413 11.888  407.363 11.663  -7.950684      16.65414 
1 1 1 -9  11  10 o 82.075  3.6735  817.607    73.158   830.637    103.553  804.623    103.369  82.546  5.1967  81.232  5.2730  1.314125       7.403358 
1 1 1 -9  11  11 o 262.658 5.8599  8379.96    373.461  8386.65    528.343  8373.29    527.965  262.603 8.2919  262.393 8.2925  0.2091980      11.72695 
1 1 1 -9  11  12 o 200.883 4.8912  4900.55    238.408  4830.58    336.711  4970.90    337.610  199.344 6.9613  202.224 6.8805  -2.879074      9.787787 
1 1 1 -9  11  13 o 271.318 5.8547  8945.35    385.429  8850.15    544.989  9040.61    545.169  269.645 8.3297  272.540 8.2440  -2.895081      11.71952 
1 1 1 -9  11  14 o 48.446  4.3879  287.378    51.020   260.998    72.306   313.538    72.002   45.846  6.6975  50.432  6.0019  -4.585911      8.993261 
1 1 1 -9  11  15 o 227.090 5.2678  6267.64    290.262  6390.44    410.664  6145.04    410.321  229.107 7.3873  224.650 7.5275  4.457169       10.54684 
1 1 1 -9  11  16 o 377.521 11.157  17447.32   1022.04  17723.96   1421.55  17151.33   1470.45  378.942 15.461  372.428 16.272  6.514191       22.44577 
1 1 1 -9  11  17 o 75.797  5.3917  702.122    98.513   598.711    124.679  873.974    160.726  69.698  7.4899  84.295  7.9521  -14.59719      10.92405 
1 1 1 -9  11  18 o 533.899 15.237  35247.52   1973.94  34977.95   2766.06  35527.27   2817.80  526.823 21.639  530.719 21.882  -3.896912      30.77409 
1 1 1 -9  11  19 o 201.465 4.8711  4933.75    238.117  4745.33    335.252  5125.57    338.266  197.376 7.0002  205.155 6.7953  -7.779221      9.756027 
1 1 1 -9  11  20 f 259.153 5.8127  8170.31    365.509  7991.40    516.570  8349.68    517.247  255.933 8.3184  261.637 8.1477  -5.704041      11.64390 
1 1 1 -9  11  21 o 35.226  5.5740  154.608    46.056   157.566    65.017   151.628    65.251   35.266  7.8045  34.580  7.9439  0.6867523      11.13627 
1 1 1 -9  11  22 o 122.116 4.1536  1811.73    123.073  1800.27    171.920  1823.78    176.265  121.645 5.8246  122.430 5.9335  -0.7852707     8.314605 
1 1 1 -9  11  23 o 216.241 6.4967  5693.20    340.876  5680.92    572.000  5699.96    424.487  215.023 11.000  216.158 8.0934  -1.134628      13.65682 
1 1 1 -9  11  24 o 96.201  4.1445  1124.46    96.741   1165.23    136.895  1083.78    136.730  97.688  5.8014  94.177  6.0149  3.511223       8.356781 
1 1 1 -9  11  25 o 191.956 6.9482  4490.18    323.622  5048.72    500.593  4089.14    424.181  202.777 10.207  182.568 9.6093  20.20840       14.01859 
1 1 1 -9  11  26 o 177.081 6.8286  3821.86    293.406  3964.48    458.633  3723.05    381.745  179.477 10.578  174.243 9.0606  5.234314       13.92821 
1 1 1 -9  11  27 o 263.845 8.5582  8512.86    547.892  8549.01    812.885  8482.77    741.674  263.147 12.731  262.497 11.645  0.6499023      17.25333 
1 1 1 -9  11  28 f 421.284 8.7734  21735.18   896.823  21972.87   1269.28  21498.22   1267.32  421.614 12.407  416.961 12.526  4.653137       17.63103 
1 1 1 -9  11  29 o 224.177 5.3977  6122.37    293.607  6111.50    416.119  6133.14    414.334  223.505 7.6730  223.912 7.6262  -0.4067535     10.81822 
1 1 1 -9  11  30 o 224.444 5.4297  6142.13    295.697  6045.34    419.345  6237.85    417.023  222.087 7.7819  225.643 7.6168  -3.556702      10.88915 
1 1 1 -9  11  31 o 88.303  4.1676  949.297    89.296   992.986    124.751  903.395    127.873  89.992  5.7431  85.745  6.1878  4.247719       8.442267 
1 1 1 -9  11  32 o 105.123 4.1497  1346.15    105.846  1343.92    147.739  1348.49    151.718  104.669 5.8405  104.818 5.9902  -0.1487579     8.366245 
1 1 1 -9  11  33 o 146.201 4.3987  2606.95    156.040  2451.68    220.359  2763.11    220.990  141.359 6.4246  150.160 6.0653  -8.801224      8.835339 
1 1 1 -9  11  34 o 66.463  4.2942  541.196    68.880   579.908    94.606   497.526    100.482  68.553  5.7404  63.271  6.6444  5.281765       8.780663 
1 1 1 -9  11  35 f 109.954 4.9086  1479.06    130.957  1411.29    155.646  1643.30    242.309  107.019 6.0184  114.543 8.7853  -7.524483      10.64912 
1 1 1 -9  11  36 o 45.001  7.2289  256.461    76.261   256.461    76.261   0.0000     0.0000   45.001  7.2289  ?       ?       0.000000       7.228875 
1 1 1 -9  11  37 o 24.660  8.7469  66.926     65.602   66.926     65.602   0.0000     0.0000   24.660  8.7469  ?       ?       0.000000       8.746927 
1 1 1 -9  11  38 o 45.811  6.6988  264.574    72.260   227.209    85.156   360.684    136.573  41.895  8.6631  52.286  11.108  -10.39099      14.08671 
1 1 1 -9  11  39 o 67.010  5.8163  557.002    93.632   539.916    112.490  595.537    168.939  65.591  7.1858  67.672  10.640  -2.081696      12.83897 
1 1 1 -9  11  40 o 89.207  4.3818  974.409    94.845   1201.95    141.451  788.548    127.841  98.528  5.9446  79.503  6.6892  19.02421       8.948967 
1 1 1 -9  11  41 o 16.511  6.8610  9.1385     45.305   -61.5396   81.016   41.298     54.649   17.504  8.0955  20.921  7.8913  -3.417040      11.30528 
1 1 1 -9  11  42 o 54.957  5.4782  376.312    72.077   490.414    107.671  283.663    97.022   62.246  7.2656  46.602  8.9050  15.64423       11.49297 
1 1 1 -9  11  43 o 56.522  7.2496  406.471    97.134   369.271    245.691  413.363    105.750  50.552  16.972  56.771  7.8902  -6.219547      18.71669 
1 1 1 -9  11  44 o 80.772  7.5817  829.790    146.852  0.0000     0.0000   829.790    146.852  ?       ?       80.772  7.5817  0.000000       7.581714 
1 1 1 -9  11  45 f 65.123  6.5875  536.443    102.661  0.0000     0.0000   536.443    102.661  ?       ?       65.123  6.5875  0.000000       6.587473 
1 1 1 -9  11  46 o 15.823  6.6945  4.4905     44.337   32.600     68.189   -16.0982   58.358   21.387  8.5937  16.485  7.3156  4.901823       11.28586 
1 1 1 -9  11  47 o 36.890  6.4299  175.288    55.462   294.968    82.105   74.847     75.217   47.764  7.3176  25.687  9.3343  22.07732       11.86071 
1 1 1 -9  11  48 f 44.170  5.5905  246.506    58.575   258.731    82.533   234.099    83.145   44.430  7.9475  42.023  8.4473  2.406940       11.59820 
1 1 1 -9  11  49 o 59.752  5.7186  448.741    81.897   314.633    102.801  681.705    135.493  48.642  9.0430  72.776  7.7942  -24.13372      11.93839 
1 1 1 -9  11  50 o 72.673  5.3490  659.687    93.659   546.020    121.008  829.522    147.915  65.012  7.8284  80.377  7.6777  -15.36437      10.96502 
1 1 1 -9  11  51 o 14.352  6.6396  -40.9038   54.554   -81.6717   63.875   69.014     104.883  13.954  6.6734  27.228  10.750  -13.27372      12.65324 
1 1 1 -9  11  52 o 23.933  9.0619  59.605     72.241   74.047     77.701   -32.4481   196.168  25.616  9.4592  28.938  13.081  -3.321526      16.14267 
1 1 1 -9  12  1  o 883.439 17.246  95352.84   3696.86  93707.16   5226.01  97001.23   5230.30  872.591 24.683  888.003 24.274  -15.41168      34.61923 
1 1 1 -9  12  2  o 407.802 8.2915  20209.19   820.439  19649.48   1158.37  20772.61   1162.20  401.767 11.882  413.123 11.594  -11.35593      16.60169 
1 1 1 -9  12  3  o 216.723 5.0006  5701.76    262.961  5868.41    370.576  5532.74    373.204  219.805 6.9483  213.416 7.2070  6.388428       10.01096 
1 1 1 -9  12  4  f 74.087  3.6062  666.131    64.826   685.044    91.931   647.426    91.428   74.947  5.0854  72.841  5.2073  2.106018       7.278506 
1 1 1 -9  12  5  o 325.079 6.7568  12835.85   532.960  13126.24   752.546  12543.65   754.898  328.552 9.4399  321.158 9.6874  7.393524       13.52612 
1 1 1 -9  12  6  o 339.646 7.0791  14014.39   583.399  14111.65   824.046  13916.67   826.060  340.596 9.9712  338.226 10.066  2.369873       14.16835 
1 1 1 -9  12  7  o 310.823 6.6560  11735.73   501.987  12133.59   708.794  11335.33   711.044  315.863 9.2482  305.267 9.5996  10.59576       13.32971 
1 1 1 -9  12  8  o 433.955 8.7727  22900.59   923.726  23165.13   1305.33  22635.22   1307.36  435.953 12.340  430.911 12.504  5.041901       17.56769 
1 1 1 -9  12  9  o 153.574 4.1976  2863.03    156.416  2912.39    220.622  2813.14    221.794  154.849 5.8719  152.184 6.0064  2.665482       8.399770 
1 1 1 -9  12  10 o 325.356 6.7751  12864.59   534.856  13466.46   756.185  12262.03   756.617  332.619 9.3695  317.345 9.8261  15.27469       13.57718 
1 1 1 -9  12  11 o 387.934 7.9078  18307.17   744.349  19038.29   1052.87  17576.63   1052.46  395.111 10.982  379.560 11.428  15.55145       15.84945 
1 1 1 -9  12  12 o 198.294 4.8009  4775.83    230.992  4827.92    326.599  4723.70    326.745  199.260 6.7551  197.093 6.8324  2.167664       9.607965 
1 1 1 -9  12  13 o 171.979 4.4710  3592.42    186.571  3623.49    263.385  3561.12    264.320  172.624 6.2882  171.127 6.3657  1.497055       8.947844 
1 1 1 -9  12  14 o 100.400 5.4579  1228.94    132.462  1210.97    167.206  1259.23    217.062  99.506  6.9693  101.225 8.9290  -1.718727      11.32689 
1 1 1 -9  12  15 o 160.360 6.1517  3128.56    239.361  3018.26    317.068  3274.72    364.982  157.104 8.3476  163.520 9.2367  -6.415634      12.44990 
1 1 1 -9  12  16 o 160.842 6.0891  3148.00    237.641  2960.85    315.926  3391.88    360.645  155.555 8.4014  166.430 8.9637  -10.87459      12.28544 
1 1 1 -9  12  17 o 145.659 5.8378  2581.37    206.326  2418.03    271.934  2802.97    316.742  140.574 8.0056  151.280 8.6651  -10.70535      11.79716 
1 1 1 -9  12  18 o 319.568 6.7502  12436.65   523.410  12379.24   740.727  12493.90   739.700  318.216 9.5934  319.702 9.5356  -1.484985      13.52628 
1 1 1 -9  12  19 o 157.046 4.3794  2996.90    166.880  2898.06    235.073  3097.32    236.946  154.306 6.2785  159.535 6.1211  -5.229324      8.768542 
1 1 1 -9  12  20 o 162.958 4.4033  3226.86    174.110  3069.36    244.383  3389.20    248.116  158.795 6.3426  166.882 6.1275  -8.086990      8.818991 
1 1 1 -9  12  21 o 216.439 5.2224  5696.28    274.263  5406.67    386.238  5990.83    389.514  210.603 7.5583  221.732 7.2399  -11.12885      10.46635 
1 1 1 -9  12  22 o 153.413 4.2945  2859.86    159.862  3030.48    225.764  2688.29    226.394  157.814 5.8959  148.607 6.2786  9.206131       8.612867 
1 1 1 -9  12  23 o 22.633  7.7205  57.351     50.847   25.587     63.298   115.138    85.376   20.765  8.3024  31.073  9.9829  -10.30794      12.98415 
1 1 1 -9  12  24 o 35.040  9.8652  154.349    87.434   -227.9890  188.406  259.290    98.706   24.656  11.697  45.234  9.3037  -20.57826      14.94613 
1 1 1 -9  12  25 o 186.346 7.0134  4233.42    317.114  4218.96    489.063  4243.92    416.549  185.073 10.939  186.249 9.2174  -1.175308      14.30490 
1 1 1 -9  12  26 f 129.359 6.3408  2038.98    199.021  1861.41    325.270  2145.25    251.620  122.578 11.055  132.301 7.8738  -9.723053      13.57250 
1 1 1 -9  12  27 o 73.025  4.4448  650.899    78.382   648.106    109.688  653.814    112.047  72.647  6.2845  72.954  6.3943  -0.3064880     8.965605 
1 1 1 -9  12  28 o 32.947  6.8465  137.441    52.946   144.563    71.727   128.914    78.482   33.712  8.7075  32.126  9.4424  1.585632       12.84444 
1 1 1 -9  12  29 o 79.643  4.2767  774.096    82.343   730.323    115.304  819.654    117.632  77.094  6.2169  81.738  5.9725  -4.644737      8.620885 
1 1 1 -9  12  30 o 139.562 4.3748  2371.98    148.145  2365.68    210.822  2378.13    208.220  139.105 6.2461  139.487 6.1521  -0.3816681     8.767128 
1 1 1 -9  12  31 f 133.326 4.3543  2166.07    140.863  2192.83    200.444  2139.96    197.999  133.852 6.1717  132.228 6.1713  1.623245       8.727798 
1 1 1 -9  12  32 o 165.678 4.6373  3349.48    186.420  3334.71    265.782  3363.79    261.544  164.812 6.6462  165.569 6.5103  -0.7566376     9.303573 
1 1 1 -9  12  33 o 16.146  6.7170  7.4917     43.496   -31.2565   56.587   63.444     67.998   15.466  7.0052  24.595  8.8846  -9.128843      11.31415 
1 1 1 -9  12  34 o 77.304  4.3195  731.909    80.697   685.000    113.394  780.044    114.867  74.366  6.3449  79.474  6.0009  -5.107788      8.733174 
1 1 1 -9  12  35 o 40.664  7.4418  210.859    70.721   210.859    70.721   0.0000     0.0000   40.664  7.4418  ?       ?       0.000000       7.441812 
1 1 1 -9  12  36 o 38.323  8.1797  189.584    73.745   189.584    73.745   0.0000     0.0000   38.323  8.1797  ?       ?       0.000000       8.179656 
1 1 1 -9  12  37 o 64.572  5.8014  517.052    89.925   426.494    108.070  720.883    162.136  58.042  7.8771  75.297  9.0559  -17.25512      12.00244 
1 1 1 -9  12  38 f 115.877 5.9074  1658.60    165.543  1788.72    208.745  1438.09    271.751  119.832 7.2129  105.713 10.744  14.11864       12.94042 
1 1 1 -9  12  39 o 71.040  4.5049  620.630    77.250   692.973    119.510  568.709    101.245  74.503  6.6820  67.565  6.2464  6.938347       9.146951 
1 1 1 -9  12  40 o 68.463  4.9233  578.699    81.239   619.613    119.758  543.823    110.570  70.208  7.1289  65.762  7.0388  4.446251       10.01825 
1 1 1 -9  12  41 o 35.326  7.0277  160.787    58.118   137.985    93.161   175.316    74.363   32.786  10.417  36.563  8.5370  -3.777466      13.46840 
1 1 1 -9  12  42 o 70.716  6.2445  626.161    106.046  715.434    276.240  610.731    114.846  69.829  16.556  69.600  6.8911  0.2294922      17.93244 
1 1 1 -9  12  43 o 34.895  8.7334  161.360    73.770   146.057    184.842  164.260    80.455   36.749  14.343  35.120  9.2958  1.629051       17.09194 
1 1 1 -9  12  44 o 38.229  9.2331  195.677    84.682   0.0000     0.0000   195.677    84.682   ?       ?       38.229  9.2331  0.000000       9.233099 
1 1 1 -9  12  45 o 23.222  7.5397  67.049     48.607   88.711     74.567   51.044     64.096   27.005  9.3440  22.609  8.5417  4.395832       12.65985 
1 1 1 -9  12  46 o 35.636  6.5556  164.219    54.596   188.826    81.144   143.866    73.797   37.473  9.0307  32.768  9.0041  4.704960       12.75252 
1 1 1 -9  12  47 o 68.498  4.7858  583.141    79.041   741.810    112.415  428.001    111.158  76.758  6.0857  57.261  8.2376  19.49719       10.24176 
1 1 1 -9  12  48 o 26.261  7.3502  90.158     48.685   99.595     72.844   82.539     65.450   27.984  9.2372  25.867  8.7596  2.117020       12.73008 
1 1 1 -9  12  49 o 62.830  5.4019  494.257    81.553   464.438    105.463  538.609    128.621  60.094  7.3885  64.238  8.4576  -4.144527      11.23030 
1 1 1 -9  12  50 o 49.582  6.3433  313.434    74.564   249.624    93.756   423.255    122.997  43.031  9.2545  56.329  9.3254  -13.29814      13.13802 
1 1 1 -9  12  51 o 34.370  9.5503  161.137    82.505   150.473    88.438   232.708    229.114  33.263  10.083  41.251  16.005  -7.987755      18.91627 
1 1 1 -9  13  1  o 612.062 12.098  45618.06   1796.73  44432.73   2538.83  46807.37   2543.08  602.878 17.356  618.891 16.935  -16.01282      24.24889 
1 1 1 -9  13  2  o 520.512 10.252  32959.07   1294.84  33078.19   1829.18  32839.43   1833.18  520.751 14.476  518.852 14.561  1.899231       20.53282 
1 1 1 -9  13  3  o 610.251 11.970  45352.41   1772.45  43803.97   2504.77  46905.45   2508.48  598.523 17.247  619.505 16.688  -20.98138      23.99909 
1 1 1 -9  13  4  o 660.784 12.958  53217.50   2077.58  53025.27   2936.70  53410.10   2939.59  658.057 18.392  660.456 18.343  -2.399658      25.97593 
1 1 1 -9  13  5  o 444.084 8.9790  23981.08   967.519  24067.40   1367.06  23894.46   1369.50  444.372 12.679  442.762 12.748  1.610504       17.97919 
1 1 1 -9  13  6  o 312.147 6.7189  11837.21   508.891  11755.34   718.589  11919.58   720.777  310.851 9.5272  313.018 9.4900  -2.167419      13.44723 
1 1 1 -9  13  7  o 225.372 5.2503  6167.71    287.111  5988.02    405.066  6349.12    407.013  221.959 7.5212  228.564 7.3390  -6.604706      10.50855 
1 1 1 -9  13  8  o 164.085 4.3461  3268.62    173.036  3168.45    243.738  3370.41    245.693  161.494 6.2202  166.566 6.0791  -5.072540      8.697499 
1 1 1 -9  13  9  o 180.890 4.6460  3973.21    203.918  3989.16    287.929  3957.16    288.841  181.175 6.5497  180.445 6.5970  0.7303619      9.296218 
1 1 1 -9  13  10 o 73.046  3.8015  649.524    67.145   647.411    95.239   651.612    94.679   72.799  5.4307  73.041  5.3801  -0.2414856     7.644520 
1 1 1 -9  13  11 o 284.811 6.2294  9861.40    430.495  9889.65    608.541  9833.09    609.083  284.929 8.8022  284.108 8.8355  0.8203430      12.47170 
1 1 1 -9  13  12 o 441.467 9.0114  23760.93   965.285  24081.91   1365.35  23440.17   1364.88  443.372 12.692  437.367 12.861  6.004364       18.06898 
1 1 1 -9  13  13 o 238.326 7.7215  6919.23    446.515  6854.81    608.888  6994.19    656.762  236.786 10.598  239.051 11.323  -2.265274      15.50869 
1 1 1 -9  13  14 o 329.251 9.9535  13251.73   795.184  13492.61   1100.68  12988.76   1150.06  331.115 13.700  324.561 14.604  6.554749       20.02387 
1 1 1 -9  13  15 o 319.700 9.7720  12497.88   758.037  12916.90   1047.60  12037.36   1098.24  323.925 13.329  312.290 14.494  11.63495       19.69054 
1 1 1 -9  13  16 o 115.497 5.4668  1622.48    153.204  1440.57    198.502  1890.48    240.938  108.440 7.5920  124.233 8.0359  -15.79256      11.05512 
1 1 1 -9  13  17 o 226.454 5.3152  6236.34    292.054  6212.00    413.500  6260.56    412.554  225.739 7.5493  226.626 7.5025  -0.8873901     10.64326 
1 1 1 -9  13  18 o 120.473 3.9781  1763.14    116.286  1806.45    164.930  1720.33    163.980  121.866 5.5777  118.920 5.6829  2.946152       7.962815 
1 1 1 -9  13  19 o 67.435  3.9074  554.257    63.661   604.041    90.335   505.140    89.728   70.276  5.3376  64.174  5.8260  6.102547       7.901341 
1 1 1 -9  13  20 o 63.870  4.5622  498.298    70.237   455.300    94.121   552.332    105.510  60.812  6.4785  67.033  6.5715  -6.220985      9.227980 
1 1 1 -9  13  21 o 238.741 5.4626  6932.82    316.441  7074.14    447.372  6791.31    447.659  240.863 7.6548  235.973 7.8185  4.889832       10.94186 
1 1 1 -9  13  22 o 104.396 4.2301  1324.34    107.152  1179.55    148.895  1479.89    154.323  98.231  6.2798  110.128 5.7956  -11.89690      8.545430 
1 1 1 -9  13  23 o 74.477  6.5997  680.931    118.030  558.991    215.551  733.151    141.056  66.091  13.883  77.156  7.6348  -11.06449      15.84377 
1 1 1 -9  13  24 o 59.088  7.5025  432.684    105.142  467.319    201.507  419.727    123.249  60.299  14.036  57.903  9.0702  2.395271       16.71124 
1 1 1 -9  13  25 o 113.437 6.3412  1572.81    173.840  1254.90    290.619  1749.94    216.928  100.190 12.207  119.501 7.5197  -19.31066      14.33725 
1 1 1 -9  13  26 o 321.567 6.9189  12618.29   539.847  12923.08   765.085  12316.08   761.844  324.514 9.7165  316.728 9.9132  7.786560       13.88106 
1 1 1 -9  13  27 o 182.409 4.7970  4049.71    212.314  4135.43    301.531  3965.43    298.999  184.040 6.7524  180.203 6.8382  3.836929       9.610203 
1 1 1 -9  13  28 o 104.561 4.1887  1330.24    106.271  1323.32    149.677  1337.28    150.911  103.967 5.9581  104.513 5.9758  -0.5457001     8.438542 
1 1 1 -9  13  29 o 61.404  4.6630  461.994    68.956   415.400    96.071   511.507    99.034   57.832  6.9881  64.360  6.4276  -6.528492      9.494642 
1 1 1 -9  13  30 o 154.564 4.5434  2912.10    170.395  3056.40    242.911  2772.31    239.084  157.995 6.3364  150.426 6.5503  7.568924       9.113521 
1 1 1 -9  13  31 o 61.826  4.5670  468.821    68.026   461.855    93.996   476.483    98.574   61.034  6.4445  61.959  6.6615  -0.9248352     9.268571 
1 1 1 -9  13  32 o 26.840  7.2893  91.733     48.698   121.955    64.705   52.247     73.960   30.870  8.4100  24.103  9.1587  6.766722       12.43423 
1 1 1 -9  13  33 o 38.431  6.0015  185.562    54.134   163.839    73.106   211.931    80.547   35.610  8.5655  40.585  8.4539  -4.974926      12.03475 
1 1 1 -9  13  34 o 105.388 4.6359  1358.42    118.546  1393.11    153.738  1307.54    186.179  106.278 5.9862  102.458 7.5420  3.819763       9.628884 
1 1 1 -9  13  35 o 65.956  6.2649  540.780    99.057   540.780    99.057   0.0000     0.0000   65.956  6.2649  ?       ?       0.000000       6.264898 
1 1 1 -9  13  36 f 94.416  5.6601  1100.11    129.070  1073.48    159.293  1151.02    220.237  92.804  7.1285  95.079  9.6815  -2.275429      12.02272 
1 1 1 -9  13  37 o 76.730  5.6412  728.210    104.290  685.690    127.616  813.703    180.955  73.997  7.1988  79.787  9.5360  -5.789642      11.94812 
1 1 1 -9  13  38 o 85.846  4.4349  904.833    92.063   874.965    141.503  926.755    121.228  83.662  7.0359  86.519  5.8084  -2.856300      9.123702 
1 1 1 -9  13  39 o 89.761  4.6147  990.804    100.167  1099.78    143.108  886.139    140.251  94.046  6.3078  84.159  6.9298  9.887794       9.370735 
1 1 1 -9  13  40 o 30.417  7.4984  120.280    54.989   157.714    90.516   98.382     69.229   34.645  10.128  28.031  8.9878  6.613981       13.54128 
1 1 1 -9  13  41 o 76.198  4.8130  717.390    88.530   684.201    129.448  746.554    121.344  73.527  7.3545  77.157  6.5432  -3.630043      9.843882 
1 1 1 -9  13  42 o 53.953  7.2398  371.668    92.388   295.423    216.038  388.732    102.205  45.913  15.904  54.950  7.8921  -9.036957      17.75416 
1 1 1 -9  13  43 o 88.523  7.6520  999.001    162.745  0.0000     0.0000   999.001    162.745  ?       ?       88.523  7.6520  0.000000       7.652044 
1 1 1 -9  13  44 o 31.557  7.2339  130.624    54.206   158.465    81.503   108.541    72.587   34.330  9.4746  28.960  9.1945  5.369766       13.20251 
1 1 1 -9  13  45 o 56.553  4.9762  399.118    67.589   354.663    98.639   438.462    92.797   52.126  8.0588  58.688  6.6331  -6.561092      10.43750 
1 1 1 -9  13  46 o 80.208  4.5906  797.375    88.970   758.372    125.518  836.760    126.129  77.268  6.7630  81.354  6.4423  -4.085754      9.340272 
1 1 1 -9  13  47 o 27.297  7.3054  97.896     49.340   127.937    71.188   70.124     68.447   30.985  8.9605  24.751  8.9179  6.233601       12.64202 
1 1 1 -9  13  48 o 32.726  8.0421  142.329    63.404   139.906    79.687   146.509    104.673  32.315  9.5194  33.307  11.077  -0.9919853     14.60512 
1 1 1 -9  13  49 o 13.745  6.4294  -48.7341   53.416   -83.4037   62.886   41.086     101.220  13.734  6.5822  25.098  10.326  -11.36460      12.24543 
1 1 1 -9  13  50 o 23.960  8.8787  62.681     68.576   61.401     73.604   71.103     188.774  24.227  9.1533  32.446  13.775  -8.219248      16.53904 
1 1 1 -9  14  1  o 134.652 3.9133  2200.63    127.856  2301.41    179.562  2096.98    182.096  137.675 5.3752  131.411 5.7109  6.263611       7.842661 
1 1 1 -9  14  2  o 100.852 3.6757  1234.45    89.947   1355.54    125.639  1107.12    128.829  105.667 4.9003  95.321  5.5945  10.34586       7.437173 
1 1 1 -9  14  3  o 237.143 5.3421  6828.43    307.388  6837.76    433.117  6818.97    436.324  237.206 7.5252  236.876 7.5914  0.3297577      10.68915 
1 1 1 -9  14  4  o 440.836 8.9465  23635.61   956.962  24117.69   1351.85  23151.38   1354.86  444.779 12.526  435.728 12.815  9.050873       17.91999 
1 1 1 -9  14  5  o 461.405 9.2903  25901.98   1040.10  26630.42   1469.75  25171.19   1472.12  467.221 12.965  454.163 13.359  13.05835       18.61546 
1 1 1 -9  14  6  o 262.400 5.7935  8363.34    368.864  8437.55    520.626  8288.55    522.686  263.409 8.1458  261.065 8.2514  2.344055       11.59480 
1 1 1 -9  14  7  o 165.627 4.3543  3330.58    174.992  3434.52    246.277  3224.60    248.692  168.134 6.0368  162.905 6.2916  5.229294       8.719364 
1 1 1 -9  14  8  o 119.260 3.8855  1726.69    112.437  1772.78    158.492  1680.00    159.532  120.804 5.4071  117.595 5.5911  3.208633       7.777949 
1 1 1 -9  14  9  o 277.251 5.9539  9342.16    400.533  9447.14    565.496  9236.47    567.386  278.565 8.3664  275.428 8.4900  3.137787       11.91959 
1 1 1 -9  14  10 o 14.007  5.9121  1.6428     34.447   12.318     50.442   -7.6857    47.154   17.809  7.3038  15.557  6.7476  2.252000       9.943582 
1 1 1 -9  14  11 o 115.166 3.8893  1610.67    108.683  1583.00    153.277  1638.66    154.130  114.116 5.5356  116.107 5.4710  -1.991432      7.782957 
1 1 1 -9  14  12 o 344.170 10.457  14484.36   873.276  15489.90   1212.01  13398.74   1259.35  354.787 14.079  329.383 15.757  25.40347       21.13081 
1 1 1 -9  14  13 o 364.163 10.821  16238.83   956.139  16469.17   1328.36  15991.19   1377.34  365.189 14.991  359.505 15.790  5.683929       21.77259 
1 1 1 -9  14  14 o 243.730 7.8441  7244.54    463.890  7097.41    632.410  7415.93    682.533  240.676 10.829  245.877 11.440  -5.200836      15.75300 
1 1 1 -9  14  15 o 79.670  5.5826  775.906    107.236  657.883    130.217  1024.62    189.032  73.090  7.4466  91.203  8.6453  -18.11329      11.41022 
1 1 1 -9  14  16 o 17.585  6.6489  26.854     38.857   -46.6577   55.664   96.716     54.265   14.508  6.7100  27.773  7.7554  -13.26431      10.25526 
1 1 1 -9  14  17 o 242.869 5.6060  7175.26    330.360  7346.44    467.666  7004.76    466.734  245.435 7.8530  239.632 8.0271  5.803619       11.22962 
1 1 1 -9  14  18 o 290.421 6.3579  10267.89   448.026  10406.04   634.193  10130.25   633.018  291.877 8.9548  287.960 9.0598  3.916840       12.73852 
1 1 1 -9  14  19 o 237.525 5.5825  6863.03    321.739  6875.67    455.730  6850.48    454.288  237.423 7.9108  236.990 7.9002  0.4335785      11.18007 
1 1 1 -9  14  20 o 374.429 7.7479  17098.71   703.907  17352.90   996.464  16845.52   994.490  376.229 10.916  370.637 11.058  5.591736       15.53817 
1 1 1 -9  14  21 o 129.283 4.1966  2031.02    131.644  1932.16    183.127  2136.75    189.377  125.993 5.9902  132.503 5.8903  -6.510048      8.401082 
1 1 1 -9  14  22 o 81.581  6.2690  815.197    123.146  873.123    201.624  780.731    155.524  83.838  10.116  79.557  8.1728  4.280869       13.00486 
1 1 1 -9  14  23 o 155.053 6.5242  2929.29    245.456  2602.57    384.039  3154.94    319.152  145.181 10.983  160.505 8.2225  -15.32423      13.72000 
1 1 1 -9  14  24 o 202.204 7.4450  4990.64    365.275  4353.01    553.225  5483.45    486.363  187.506 12.227  211.556 9.4748  -24.05031      15.46811 
1 1 1 -9  14  25 o 300.203 6.5444  10991.01   476.703  11067.18   675.661  10915.51   672.669  300.454 9.2680  298.381 9.2911  2.073547       13.12326 
1 1 1 -9  14  26 f 94.065  4.2091  1076.14    96.068   1044.07    136.537  1107.58    135.195  92.325  6.1297  95.137  5.8855  -2.812119      8.497806 
1 1 1 -9  14  27 o 226.633 5.5492  6263.00    305.152  6234.27    433.251  6291.28    429.868  225.522 7.9175  226.580 7.8190  -1.057434      11.12756 
1 1 1 -9  14  28 o 140.837 4.3917  2415.42    150.078  2320.78    214.095  2506.86    210.437  137.760 6.4050  143.237 6.0548  -5.476563      8.813903 
1 1 1 -9  14  29 o 128.054 4.2951  1997.78    133.454  2043.32    188.965  1952.45    188.500  129.243 6.0257  126.315 6.1503  2.928085       8.610181 
1 1 1 -9  14  30 o 133.302 4.3312  2166.53    140.090  2163.60    199.055  2169.42    197.193  132.872 6.1741  133.065 6.1075  -0.1928101     8.684566 
1 1 1 -9  14  31 o 103.268 4.2090  1300.78    105.465  1343.14    148.929  1258.17    149.373  104.506 5.8973  101.082 6.1191  3.423019       8.498300 
1 1 1 -9  14  32 o 21.647  7.4680  52.813     47.613   58.858     62.947   44.730     72.791   23.668  8.5485  23.299  9.0263  0.3696575      12.43189 
1 1 1 -9  14  33 o 131.938 5.3020  2134.38    169.734  2189.22    202.503  2004.87    311.214  133.345 6.2588  125.682 10.296  7.663216       12.04867 
1 1 1 -9  14  34 o 164.545 6.7311  3345.69    268.740  3345.69    268.740  0.0000     0.0000   164.545 6.7311  ?       ?       0.000000       6.731068 
1 1 1 -9  14  35 o 63.131  7.2104  500.326    108.469  500.326    108.469  0.0000     0.0000   63.131  7.2104  ?       ?       0.000000       7.210385 
1 1 1 -9  14  36 f 94.144  5.5902  1094.12    127.125  1024.88    156.538  1228.25    217.864  90.598  7.1797  98.356  9.2371  -7.758347      11.69929 
1 1 1 -9  14  37 o 53.102  6.3850  353.483    80.621   359.109    95.292   339.314    151.224  53.183  7.6007  50.110  12.484  3.073074       14.61542 
1 1 1 -9  14  38 o 32.198  7.0815  133.827    53.821   103.354    85.738   153.643    69.141   29.352  10.025  34.309  8.3779  -4.956827      13.06505 
1 1 1 -9  14  39 o 35.312  6.8709  160.271    56.751   201.683    89.449   132.370    73.421   39.040  9.5269  31.855  9.0654  7.184893       13.15074 
1 1 1 -9  14  40 o 62.774  5.4875  490.571    82.743   639.880    132.168  394.334    106.109  70.903  7.8120  55.360  8.1427  15.54339       11.28410 
1 1 1 -9  14  41 o 56.608  7.2353  408.492    97.106   200.725    217.684  460.108    108.500  40.835  15.666  59.973  7.6288  -19.13750      17.42443 
1 1 1 -9  14  42 o 12.658  6.0228  -61.8395   50.666   0.0000     0.0000   -61.8395   50.666   ?       ?       12.658  6.0228  0.000000       6.022817 
1 1 1 -9  14  43 o 31.820  9.4458  134.601    78.213   0.0000     0.0000   134.601    78.213   ?       ?       31.820  9.4458  0.000000       9.445776 
1 1 1 -9  14  44 o 57.024  5.3537  407.550    73.209   424.173    105.927  392.349    101.294  57.184  7.8407  54.976  7.8134  2.207825       11.06916 
1 1 1 -9  14  45 o 50.011  5.5179  315.081    65.842   376.988    98.265   264.642    88.699   53.868  7.7404  44.673  8.4933  9.195107       11.49131 
1 1 1 -9  14  46 o 17.852  7.1834  21.096     47.718   68.241     72.935   -14.1885   63.097   24.869  9.1680  17.276  7.6396  7.592258       11.93380 
1 1 1 -9  14  47 o 21.900  8.0789  51.078     56.651   78.760     67.469   -15.0892   104.310  25.555  8.8856  22.248  9.8311  3.307394       13.25153 
1 1 1 -9  14  48 o 18.446  7.6435  15.439     56.001   -15.1948   68.483   77.270     97.295   17.963  7.9504  27.300  10.473  -9.336485      13.14898 
1 1 1 -9  14  49 o 56.036  6.5513  401.243    87.394   430.172    97.390   281.620    198.043  57.802  7.0928  43.619  15.220  14.18312       16.79173 
1 1 1 -9  14  50 o 18.982  7.9655  13.635     61.945   71.641     66.517   -365.3389  170.019  24.613  8.7994  18.998  9.4465  5.614571       12.90991 
1 1 1 -9  15  1  o 186.546 4.6321  4224.75    209.668  4038.76    294.945  4414.75    298.110  182.328 6.6669  190.635 6.4448  -8.306976      9.272692 
1 1 1 -9  15  2  o 214.161 5.1069  5569.07    265.377  5743.74    373.853  5391.68    376.763  217.408 7.0870  210.625 7.3722  6.782410       10.22616 
1 1 1 -9  15  3  o 289.449 6.2259  10177.76   437.256  10243.97   616.596  10110.79   620.166  290.201 8.7566  288.299 8.8655  1.902069       12.46095 
1 1 1 -9  15  4  o 198.743 4.8384  4796.09    233.322  4672.38    328.473  4922.09    331.483  196.076 6.9042  201.254 6.7882  -5.177322      9.682292 
1 1 1 -9  15  5  o 329.338 6.9416  13183.91   554.713  13204.45   783.233  13163.24   785.738  329.284 9.8029  328.763 9.8499  0.5203247      13.89667 
1 1 1 -9  15  6  o 335.670 7.0581  13699.34   574.864  13861.67   811.929  13536.16   814.036  337.297 9.9207  333.292 10.066  4.004913       14.13306 
1 1 1 -9  15  7  o 230.823 5.2913  6472.66    296.350  6416.30    418.248  6529.49    419.963  229.658 7.5056  231.678 7.4707  -2.019714      10.58991 
1 1 1 -9  15  8  o 398.541 8.1782  19340.27   790.850  19603.53   1117.19  19075.84   1119.68  400.534 11.495  395.060 11.681  5.473602       16.38843 
1 1 1 -9  15  9  o 118.744 3.8546  1712.20    111.060  1750.87    156.521  1672.99    157.610  120.026 5.3745  117.320 5.5367  2.705917       7.716187 
1 1 1 -9  15  10 o 96.442  5.3005  1134.00    123.561  969.575    156.814  1403.26    200.671  88.934  7.3324  107.046 7.7791  -18.11208      10.69009 
1 1 1 -9  15  11 o 275.398 8.5188  9252.29    569.251  8974.07    782.188  9565.58    830.023  270.514 11.917  279.202 12.252  -8.687744      17.09152 
1 1 1 -9  15  12 o 195.995 6.4871  4676.64    308.503  3548.61    414.783  6073.24    461.529  170.016 10.100  223.069 8.5270  -53.05240      13.21814 
1 1 1 -9  15  13 o 237.189 7.7335  6860.92    445.075  6924.80    607.275  6786.78    654.203  237.766 10.526  235.175 11.465  2.590729       15.56395 
1 1 1 -9  15  14 o 140.932 5.8911  2417.02    201.449  2425.11    262.875  2405.50    313.566  140.805 7.7238  139.979 9.2849  0.8262634      12.07749 
1 1 1 -9  15  15 o 43.187  4.6608  229.337    48.067   274.259    66.316   179.613    69.770   47.105  5.9337  37.679  7.8845  9.426113       9.867887 
1 1 1 -9  15  16 o 303.341 6.5937  11205.35   485.318  11196.45   686.455  11214.24   686.231  302.650 9.3478  302.893 9.3372  -0.2428284     13.21228 
1 1 1 -9  15  17 o 170.768 4.5194  3544.16    187.261  3567.89    264.781  3520.41    264.874  171.189 6.3745  170.042 6.4198  1.147171       9.046973 
1 1 1 -9  15  18 o 258.687 5.9070  8143.49    370.772  8026.30    524.659  8260.40    524.043  256.413 8.4328  260.151 8.3019  -3.737488      11.83361 
1 1 1 -9  15  19 o 386.452 7.9972  18222.58   749.887  18269.03   1061.22  18176.26   1059.78  385.835 11.336  384.848 11.349  0.9861450      16.04045 
1 1 1 -9  15  20 o 105.781 4.0783  1359.63    104.676  1264.10    146.283  1459.87    149.850  101.737 5.9518  109.388 5.6652  -7.651138      8.216973 
1 1 1 -9  15  21 o 64.429  6.8208  511.477    105.010  585.279    185.033  476.414    127.538  68.098  11.615  61.839  8.7437  6.259563       14.53816 
1 1 1 -9  15  22 o 206.678 7.2133  5210.05    361.735  5599.21    548.592  4910.68    481.156  213.602 10.585  200.180 9.9061  13.42215       14.49716 
1 1 1 -9  15  23 f 173.990 6.7696  3691.49    285.792  3588.37    439.136  3767.26    376.416  170.581 10.663  175.226 8.8823  -4.645309      13.87805 
1 1 1 -9  15  24 o 188.269 4.9140  4313.11    224.479  4245.61    316.318  4381.60    318.616  186.505 6.9899  189.479 6.9302  -2.973129      9.843040 
1 1 1 -9  15  25 o 285.052 6.2875  9912.88    434.876  9584.17    614.377  10242.93   615.639  279.452 9.0608  288.997 8.7795  -9.545593      12.61652 
1 1 1 -9  15  26 o 209.765 5.2793  5362.94    268.704  5352.04    380.774  5373.76    379.239  209.060 7.5064  209.495 7.4606  -0.4354401     10.58333 
1 1 1 -9  15  27 o 91.970  4.1743  1029.67    93.152   1071.89    130.469  985.774    133.041  93.516  5.7782  89.603  6.1566  3.913292       8.443416 
1 1 1 -9  15  28 o 24.710  7.3415  75.997     47.232   118.121    62.163   18.469     72.646   30.458  8.2205  21.270  8.7491  9.187311       12.00515 
1 1 1 -9  15  29 o 71.175  4.3309  619.917    74.440   626.848    102.196  612.082    108.649  71.303  5.9616  70.359  6.4355  0.9439774      8.772445 
1 1 1 -9  15  30 f 85.779  4.2255  897.539    87.948   894.364    122.337  900.934    126.522  85.199  5.9553  85.471  6.1417  -0.2724609     8.554852 
1 1 1 -9  15  31 f 96.607  4.2336  1139.24    99.240   1151.50    138.204  1126.20    142.590  96.668  5.9207  95.530  6.1848  1.138351       8.561912 
1 1 1 -9  15  32 o 159.589 5.4498  3124.78    211.029  3186.74    251.696  2978.14    387.204  160.803 6.4509  153.194 10.480  7.608566       12.30601 
1 1 1 -9  15  33 o 88.116  6.0174  960.277    127.886  960.277    127.886  0.0000     0.0000   88.116  6.0174  ?       ?       0.000000       6.017416 
1 1 1 -9  15  34 o 72.006  6.9339  647.752    119.649  647.752    119.649  0.0000     0.0000   72.006  6.9339  ?       ?       0.000000       6.933928 
1 1 1 -9  15  35 o 51.005  6.3090  325.930    76.414   260.305    89.206   506.792    148.094  44.910  8.4976  62.508  10.109  -17.59803      13.20638 
1 1 1 -9  15  36 o 29.827  8.1481  115.010    60.640   100.315    71.038   154.474    116.415  28.408  9.1040  35.114  11.682  -6.705605      14.81019 
1 1 1 -9  15  37 o 34.601  6.7357  153.455    54.517   214.249    91.338   119.811    67.947   40.331  9.4915  30.439  8.7401  9.891516       12.90268 
1 1 1 -9  15  38 o 53.926  5.2533  361.532    67.865   364.253    100.463  359.248    92.040   53.308  8.0150  53.161  7.3303  0.1465454      10.86156 
1 1 1 -9  15  39 o 66.181  4.9050  542.175    78.205   564.233    116.876  524.293    105.234  66.722  7.3407  64.476  6.8306  2.245049       10.02709 
1 1 1 -9  15  40 o 42.526  8.2281  236.412    81.833   285.079    211.384  227.833    88.754   45.289  15.729  41.455  9.0754  3.834164       18.15932 
1 1 1 -9  15  41 o 20.797  8.3283  30.745     63.805   0.0000     0.0000   30.745     63.805   ?       ?       20.797  8.3283  0.000000       8.328299 
1 1 1 -9  15  42 o 56.913  8.0770  420.594    108.408  0.0000     0.0000   420.594    108.408  ?       ?       56.913  8.0770  0.000000       8.076976 
1 1 1 -9  15  43 o 61.478  5.2344  472.622    77.339   448.895    111.285  494.787    107.557  58.757  8.0147  62.080  7.2785  -3.322792      10.82645 
1 1 1 -9  15  44 o 44.523  6.1287  252.757    64.453   330.913    96.150   188.978    86.858   50.204  8.1744  37.269  9.5588  12.93427       12.57743 
1 1 1 -9  15  45 o 57.622  5.4540  417.068    75.348   474.177    108.445  363.767    104.767  60.580  7.5408  52.516  8.5133  8.064137       11.37276 
1 1 1 -9  15  46 o 39.867  6.3165  204.046    59.066   188.930    86.568   217.213    80.794   37.279  9.5329  40.359  8.5180  -3.079880      12.78410 
1 1 1 -9  15  47 f 29.655  8.3807  116.848    62.975   97.369     77.935   153.495    106.895  27.903  9.5581  33.872  11.190  -5.968655      14.71654 
1 1 1 -9  15  48 o 59.517  5.5791  446.044    79.629   445.192    101.929  447.378    127.559  58.712  7.3135  57.758  9.4271  0.9534225      11.93137 
1 1 1 -9  15  49 o 21.647  8.3582  44.477     62.250   66.670     66.458   -114.3299  177.776  24.123  8.7728  25.006  11.707  -0.8836842     14.62962 
1 1 1 -9  16  1  o 382.302 7.9647  17772.79   738.825  18019.82   1042.77  17523.79   1046.95  384.519 11.177  379.158 11.380  5.360931       15.95056 
1 1 1 -9  16  2  o 105.410 3.6647  1348.73    93.731   1408.39    131.926  1287.92    133.194  107.691 5.0488  102.837 5.3564  4.854401       7.360821 
1 1 1 -9  16  3  o 407.615 8.3866  20216.01   829.469  20711.73   1171.12  19717.02   1174.98  412.014 11.715  401.933 12.048  10.08096       16.80428 
1 1 1 -9  16  4  o 194.529 4.7768  4595.64    225.468  4629.97    317.327  4560.63    320.415  195.158 6.7013  193.684 6.8180  1.473831       9.559910 
1 1 1 -9  16  5  o 267.014 5.9254  8664.63    383.896  8925.48    541.611  8401.26    544.222  270.785 8.2433  262.681 8.5385  8.104126       11.86836 
1 1 1 -9  16  6  o 174.970 4.5550  3718.34    193.382  3783.00    272.568  3652.82    274.409  176.390 6.3685  173.319 6.5251  3.070984       9.117846 
1 1 1 -9  16  7  o 123.314 3.8520  1846.50    115.257  1769.78    162.130  1924.87    163.881  120.668 5.5374  125.851 5.3667  -5.183228      7.711317 
1 1 1 -9  16  8  o 123.134 3.8630  1841.31    115.415  1766.12    162.906  1917.08    163.539  120.529 5.5703  125.584 5.3669  -5.054779      7.735136 
1 1 1 -9  16  9  f 319.584 9.5481  12474.77   740.400  11983.03   1023.82  13013.87   1072.01  312.171 13.517  325.301 13.582  -13.12930      19.16132 
1 1 1 -9  16  10 o 72.308  5.3794  639.285    93.704   612.369    117.024  687.378    156.428  70.574  6.9229  74.527  8.8216  -3.952522      11.21374 
1 1 1 -9  16  11 o 206.425 7.0308  5191.70    352.154  5128.68    476.052  5267.86    523.341  204.796 9.5801  207.147 10.446  -2.351181      14.17366 
1 1 1 -9  16  12 o 239.146 7.6979  6975.23    446.684  6716.42    608.838  7276.93    657.361  234.089 10.719  243.566 11.123  -9.477066      15.44736 
1 1 1 -9  16  13 o 373.994 7.8270  17062.19   710.267  17179.44   1004.06  16944.76   1004.88  374.263 11.056  371.667 11.143  2.596649       15.69744 
1 1 1 -9  16  14 o 253.043 5.6729  7790.32    348.310  7740.21    492.453  7840.50    492.717  251.865 8.0581  253.500 8.0104  -1.635010      11.36222 
1 1 1 -9  16  15 o 182.894 4.7718  4066.33    211.762  4017.65    298.881  4115.40    300.078  181.611 6.7825  183.812 6.7281  -2.201859      9.553566 
1 1 1 -9  16  16 o 96.246  3.8507  1125.29    89.926   1137.30    126.084  1112.85    128.293  96.547  5.4039  95.484  5.5615  1.063042       7.754521 
1 1 1 -9  16  17 o 120.146 4.1372  1753.95    120.610  1742.70    169.865  1765.40    171.281  119.669 5.8500  120.445 5.8608  -0.7760696     8.280818 
1 1 1 -9  16  18 o 215.176 5.2154  5631.25    272.299  5573.00    386.095  5688.91    384.093  213.785 7.4431  216.014 7.3281  -2.228653      10.44510 
1 1 1 -9  16  19 o 237.209 5.5317  6846.24    318.385  6885.51    451.770  6807.49    448.775  237.542 7.8381  236.194 7.8306  1.348404       11.07946 
1 1 1 -9  16  20 o 266.001 8.5423  8646.20    551.342  8703.57    814.219  8597.63    749.255  265.755 12.627  264.431 11.678  1.324951       17.19896 
1 1 1 -9  16  21 o 257.202 8.3710  8084.87    522.414  8100.47    774.047  8071.82    707.975  256.318 12.446  256.198 11.389  0.1194153      16.87022 
1 1 1 -9  16  22 o 193.245 7.1964  4557.27    337.430  4208.98    513.851  4821.32    447.415  184.523 11.535  198.376 9.2952  -13.85254      14.81384 
1 1 1 -9  16  23 o 162.110 4.6156  3196.84    181.554  3156.76    254.024  3238.68    259.579  160.878 6.5075  162.944 6.5655  -2.066193      9.244082 
1 1 1 -9  16  24 o 50.506  5.3076  314.110    64.071   335.235    82.419   281.846    101.857  51.980  6.6901  47.120  9.2390  4.859375       11.40685 
1 1 1 -9  16  25 o 131.816 4.3663  2114.75    139.652  1975.57    194.257  2263.61    200.905  127.186 6.2947  136.173 6.0805  -8.986610      8.751850 
1 1 1 -9  16  26 o 122.083 4.2421  1814.61    125.661  1868.31    177.954  1761.21    177.469  123.668 5.9304  119.892 6.1210  3.776718       8.522681 
1 1 1 -9  16  27 o 91.047  4.1257  1009.65    91.144   926.689    126.605  1098.89    131.318  86.827  6.0472  94.642  5.7456  -7.815468      8.341463 
1 1 1 -9  16  28 o 29.240  6.9122  109.213    48.267   56.606     65.119   173.354    71.905   23.703  8.6742  36.762  8.2623  -13.05838      11.97950 
1 1 1 -9  16  29 o 23.399  7.4395  66.436     47.508   97.340     63.570   27.339     71.501   27.959  8.5640  21.753  8.7791  6.206600       12.26437 
1 1 1 -9  16  30 f 94.757  4.2116  1096.02    96.834   1055.05    135.965  1138.20    137.944  92.469  6.0941  96.096  5.9453  -3.627357      8.513764 
1 1 1 -9  16  31 o 18.056  7.4303  13.561     52.424   48.351     59.437   -108.3131  111.246  22.239  8.2609  19.638  9.2154  2.600739       12.37607 
1 1 1 -9  16  32 o 40.007  7.3322  204.358    68.553   204.358    68.553   0.0000     0.0000   40.007  7.3322  ?       ?       0.000000       7.332232 
1 1 1 -9  16  33 o 25.401  8.9076  72.874     67.873   72.874     67.873   0.0000     0.0000   25.401  8.9076  ?       ?       0.000000       8.907587 
1 1 1 -9  16  34 o 65.163  6.0308  528.013    94.273   581.926    112.751  402.756    171.860  68.184  6.9105  54.484  13.150  13.69998       14.85529 
1 1 1 -9  16  35 o 46.543  6.8793  274.214    75.349   281.343    88.234   255.009    144.812  46.819  8.0575  43.591  12.830  3.228020       15.15050 
1 1 1 -9  16  36 o 29.233  6.7798  110.254    47.157   -46.9383   80.026   193.870    58.366   18.057  8.2376  39.090  6.3732  -21.03343      10.41517 
1 1 1 -9  16  37 o 75.739  4.6745  707.142    85.485   762.991    123.338  655.509    118.589  78.096  6.5698  72.253  6.8460  5.843002       9.488398 
1 1 1 -9  16  38 o 18.798  7.2855  29.516     47.436   28.932     83.619   29.793     57.601   22.928  9.4037  20.075  7.9539  2.853619       12.31642 
1 1 1 -9  16  39 o 39.469  8.0056  203.659    74.046   154.904    201.440  211.276    79.621   37.943  14.925  40.078  8.4535  -2.135540      17.15258 
1 1 1 -9  16  40 o 40.799  9.0189  221.639    86.908   0.0000     0.0000   221.639    86.908   ?       ?       40.799  9.0189  0.000000       9.018864 
1 1 1 -9  16  41 f 50.933  8.4015  340.006    100.207  0.0000     0.0000   340.006    100.207  ?       ?       50.933  8.4015  0.000000       8.401451 
1 1 1 -9  16  42 o 46.051  6.1061  269.828    66.545   216.376    98.419   314.844    90.320   39.729  10.167  49.121  7.8416  -9.392147      12.83994 
1 1 1 -9  16  43 o 72.920  4.9840  662.628    87.655   707.392    124.831  619.088    123.112  74.425  6.9946  69.367  7.4301  5.058754       10.20448 
1 1 1 -9  16  44 o 74.263  4.9999  687.443    89.570   762.543    127.467  614.191    125.890  77.345  6.8634  68.951  7.6538  8.394051       10.28039 
1 1 1 -9  16  45 o 12.556  5.8544  -38.5029   43.719   -18.3302   75.949   -48.5000   53.466   18.759  8.3340  13.758  6.4348  5.000208       10.52909 
1 1 1 -9  16  46 o 20.942  8.1953  37.853     60.468   20.637     74.665   70.664     103.075  21.100  8.7913  27.188  10.682  -6.088020      13.83441 
1 1 1 -9  16  47 o 13.934  6.4271  -35.9784   50.571   -12.6594   59.546   -96.3217   95.788   16.823  7.4312  17.751  8.3977  -0.9281693     11.21355 
1 1 1 -9  16  48 o 27.841  9.2064  100.353    72.348   122.739    79.662   -5.0262    172.843  30.316  9.6330  28.209  12.551  2.106667       15.82129 
1 1 1 -9  17  1  o 263.306 5.7474  8423.63    367.196  8461.66    517.425  8385.05    521.183  263.708 8.0865  262.503 8.1826  1.205597       11.50419 
1 1 1 -9  17  2  o 398.597 8.1377  19336.74   787.050  19011.16   1110.97  19664.78   1115.16  394.581 11.604  401.340 11.451  -6.759308      16.30289 
1 1 1 -9  17  3  o 159.522 4.2856  3090.20    165.882  3098.68    233.219  3081.51    235.992  159.667 6.0198  159.220 6.1085  0.4473572      8.576265 
1 1 1 -9  17  4  f 374.257 7.8332  17051.61   711.334  17293.12   1004.21  16808.38   1007.76  376.272 10.999  370.916 11.197  5.356476       15.69592 
1 1 1 -9  17  5  o 45.784  4.3739  256.924    47.998   303.181    67.903   210.730    67.856   49.610  5.7475  41.037  7.0700  8.572655       9.111409 
1 1 1 -9  17  6  o 216.093 5.1786  5675.44    271.529  5807.31    382.797  5541.89    385.214  218.404 7.2234  213.332 7.4419  5.072235       10.37110 
1 1 1 -9  17  7  o 234.863 7.6921  6721.27    438.354  6904.71    599.187  6510.04    642.980  237.622 10.392  230.528 11.495  7.094208       15.49630 
1 1 1 -9  17  8  o 62.275  5.6404  475.533    84.304   544.120    105.594  354.966    140.002  66.527  6.6299  52.840  11.264  13.68690       13.07021 
1 1 1 -9  17  9  o 122.209 5.4665  1816.57    162.098  1589.45    210.969  2143.89    253.267  113.919 7.6771  132.344 7.9234  -18.42558      11.03261 
1 1 1 -9  17  10 o 224.451 7.5548  6143.26    411.443  6503.56    559.409  5718.67    607.269  230.496 10.002  215.494 11.657  15.00255       15.36038 
1 1 1 -9  17  11 o 158.123 6.1192  3043.76    234.776  2999.91    311.676  3101.26    356.960  156.550 8.2341  158.989 9.2935  -2.439133      12.41652 
1 1 1 -9  17  12 o 140.185 4.1626  2387.93    141.589  2432.65    200.076  2343.06    200.398  141.385 5.8321  138.749 5.9525  2.636536       8.333426 
1 1 1 -9  17  13 o 106.173 3.8868  1369.47    100.133  1496.96    141.138  1240.26    142.085  110.944 5.2430  100.788 5.8350  10.15619       7.844456 
1 1 1 -9  17  14 o 79.797  3.7381  773.484    72.378   719.852    102.632  826.547    102.085  76.724  5.5504  82.284  5.1388  -5.559410      7.564047 
1 1 1 -9  17  15 o 91.276  3.8551  1012.12    85.381   964.999    119.222  1061.73    122.331  88.890  5.5555  93.268  5.4290  -4.377983      7.767768 
1 1 1 -9  17  16 o ?       ?       -209.2323  21.490   -179.3373  23.939   -333.2925  48.767   ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  17  17 o 183.860 4.7415  4109.85    211.528  4087.83    298.991  4131.92    299.300  183.172 6.7272  184.160 6.6980  -0.9885101     9.493105 
1 1 1 -9  17  18 o 195.425 5.8568  4648.78    277.720  4930.81    508.797  4529.09    331.452  200.264 10.507  192.745 7.0872  7.518997       12.67417 
1 1 1 -9  17  19 o 166.801 6.5522  3390.16    265.187  3431.19    411.618  3361.04    346.736  166.990 10.208  165.594 8.6597  1.395325       13.38614 
1 1 1 -9  17  20 o 184.302 6.8424  4141.75    305.989  4385.53    469.882  3962.26    403.200  188.779 10.297  179.653 9.2813  9.125946       13.86263 
1 1 1 -9  17  21 o 148.135 6.4256  2675.11    230.959  2560.62    368.911  2748.91    296.185  143.954 10.637  149.724 8.1838  -5.769730      13.42095 
1 1 1 -9  17  22 o 37.587  6.1452  176.658    54.108   248.651    74.310   95.418     78.939   44.584  7.1078  28.733  9.6205  15.85156       11.96136 
1 1 1 -9  17  23 o 24.413  7.5574  72.619     49.355   105.891    63.910   23.457     77.686   29.123  8.5097  22.330  9.1002  6.792997       12.45912 
1 1 1 -9  17  24 o 196.982 5.0727  4728.19    242.453  4647.87    342.176  4809.19    343.590  194.859 7.2371  198.234 7.1433  -3.375488      10.16867 
1 1 1 -9  17  25 o 60.255  4.6774  445.029    67.849   427.892    89.324   468.402    104.318  58.815  6.3604  61.424  7.1321  -2.608223      9.556257 
1 1 1 -9  17  26 o 92.803  4.2536  1049.29    95.781   999.886    130.426  1107.12    141.114  90.211  5.9926  94.912  6.1608  -4.700912      8.594597 
1 1 1 -9  17  27 o 132.512 4.3081  2141.03    138.518  2181.00    196.156  2101.28    195.634  133.417 6.0594  130.935 6.1578  2.482208       8.639127 
1 1 1 -9  17  28 o 123.266 4.2235  1853.63    126.323  1846.10    178.096  1861.26    179.202  122.676 5.9832  123.175 5.9959  -0.4995193     8.470527 
1 1 1 -9  17  29 o 123.019 4.2976  1847.91    128.283  1846.99    180.252  1848.85    182.610  122.601 6.0593  122.487 6.1640  0.1134949      8.643483 
1 1 1 -9  17  30 o 23.755  8.4564  61.340     61.370   61.340     61.370   0.0000     0.0000   23.755  8.4564  ?       ?       0.000000       8.456433 
1 1 1 -9  17  31 o 74.566  6.1206  689.578    109.761  689.578    109.761  0.0000     0.0000   74.566  6.1206  ?       ?       0.000000       6.120553 
1 1 1 -9  17  32 o 61.759  7.3520  480.094    108.007  480.094    108.007  0.0000     0.0000   61.759  7.3520  ?       ?       0.000000       7.351997 
1 1 1 -9  17  33 o 74.680  5.8606  691.498    105.343  685.915    126.765  703.959    189.377  73.992  7.1499  73.471  10.958  0.5201492      13.08435 
1 1 1 -9  17  34 o 37.875  7.7865  185.334    69.168   225.699    80.235   68.542     136.479  41.777  8.2080  30.262  12.159  11.51531       14.66972 
1 1 1 -9  17  35 o 61.051  5.1940  461.771    76.210   475.626    106.223  447.073    109.402  61.371  7.2749  59.306  7.7911  2.064888       10.65953 
1 1 1 -9  17  36 o 67.569  4.9480  564.511    80.558   679.420    118.394  465.446    109.929  73.615  6.7016  60.503  7.6597  13.11253       10.17758 
1 1 1 -9  17  37 o 20.040  7.6186  37.053     51.193   70.757     86.680   18.999     63.439   26.404  9.9428  19.863  8.1738  6.540472       12.87131 
1 1 1 -9  17  38 o 45.731  6.9944  267.640    75.145   390.235    201.423  247.818    80.993   51.873  15.093  43.658  7.9382  8.215721       17.05323 
1 1 1 -9  17  39 o 31.592  9.1403  132.041    74.058   159.020    192.951  127.380    80.201   37.533  14.653  31.177  9.6309  6.356112       17.53445 
1 1 1 -9  17  40 o 39.053  9.4624  205.831    88.723   0.0000     0.0000   205.831    88.723   ?       ?       39.053  9.4624  0.000000       9.462383 
1 1 1 -9  17  41 o 20.668  7.5388  46.049     49.130   54.711     72.429   38.666     66.865   23.616  9.0419  21.704  8.5791  1.912281       12.46425 
1 1 1 -9  17  42 o 34.536  7.0306  156.208    56.912   46.617     89.096   231.747    73.970   24.380  9.8137  42.071  7.5224  -17.69055      12.36509 
1 1 1 -9  17  43 o 53.813  5.5899  365.215    71.924   434.757    102.348  297.367    101.094  57.963  7.4497  47.010  9.1923  10.95275       11.83196 
1 1 1 -9  17  44 o 21.063  7.7986  46.767     52.884   61.586     85.489   37.581     67.308   25.192  9.7758  21.613  8.5871  3.578941       13.01167 
1 1 1 -9  17  45 o 43.876  7.4455  251.346    76.432   237.076    96.265   275.684    125.718  41.671  9.7020  44.158  11.588  -2.487038      15.11307 
1 1 1 -9  17  46 o 53.421  6.3962  364.372    81.260   297.051    103.359  473.328    131.492  46.836  9.4215  59.409  9.4374  -12.57341      13.33528 
1 1 1 -9  17  47 o 43.905  8.5118  258.256    87.405   250.701    98.089   287.382    192.585  42.703  9.6889  43.591  15.020  -0.8873596     17.87413 
1 1 1 -9  18  1  o 67.232  3.7641  550.533    61.158   588.526    86.065   511.779    86.922   69.408  5.1471  64.652  5.5961  4.755852       7.603231 
1 1 1 -9  18  2  o 131.460 3.9349  2098.56    125.513  2057.93    176.016  2140.59    179.027  130.121 5.5750  132.709 5.5597  -2.588272      7.873428 
1 1 1 -9  18  3  o 302.824 6.4354  11154.97   472.856  11251.67   666.788  11057.13   670.667  303.741 9.0473  301.080 9.1804  2.660583       12.88929 
1 1 1 -9  18  4  o 184.744 4.6890  4147.03    210.190  4168.61    295.744  4125.00    298.786  185.088 6.5853  184.109 6.6884  0.9793396      9.386197 
1 1 1 -9  18  5  o 221.064 7.2286  5952.03    387.735  5505.29    527.003  6479.23    572.499  212.191 10.236  230.194 10.250  -18.00301      14.48552 
1 1 1 -9  18  6  o 79.681  5.3730  775.540    103.273  843.370    131.580  666.719    166.661  82.973  6.5900  73.248  9.6090  9.724701       11.65165 
1 1 1 -9  18  7  o 95.757  5.3749  1118.70    124.378  1170.99    160.349  1039.72    197.070  97.817  6.7982  91.830  8.9585  5.986900       11.24593 
1 1 1 -9  18  8  o 360.904 10.769  15968.06   943.025  16252.55   1310.07  15662.13   1358.53  362.389 14.899  355.331 15.757  7.057587       21.68545 
1 1 1 -9  18  9  f 247.892 7.9572  7499.15    478.618  7436.51    653.912  7571.42    702.426  246.212 10.946  248.250 11.661  -2.038467      15.99361 
1 1 1 -9  18  10 o 170.167 4.5108  3519.69    186.250  3568.01    262.248  3470.52    264.562  171.175 6.3140  168.806 6.4591  2.369034       9.032581 
1 1 1 -9  18  11 f 88.856  3.7627  959.118    81.125   909.284    114.365  1009.59    115.094  86.280  5.4914  90.959  5.2370  -4.678528      7.588252 
1 1 1 -9  18  12 o 189.958 4.8092  4386.98    221.665  4407.23    312.812  4366.56    314.157  190.197 6.7782  189.311 6.8392  0.8868866      9.629082 
1 1 1 -9  18  13 o 161.672 4.4705  3176.86    175.371  3146.77    247.402  3207.25    248.628  160.755 6.3427  162.296 6.3136  -1.540421      8.949379 
1 1 1 -9  18  14 o 218.273 5.2160  5794.65    276.252  5850.30    391.261  5739.33    390.100  219.046 7.3615  216.952 7.4105  2.094574       10.44546 
1 1 1 -9  18  15 o 41.782  5.5013  216.043    54.416   214.404    73.234   218.064    81.310   41.285  7.5903  41.528  8.3587  -0.2426147     11.29077 
1 1 1 -9  18  16 o 76.055  4.2653  705.191    78.395   639.878    110.700  770.900    111.035  72.204  6.3845  79.374  5.8055  -7.170799      8.629346 
1 1 1 -9  18  17 o 144.284 6.2705  2535.55    219.527  2483.54    345.844  2570.65    284.100  142.008 10.103  144.866 8.1151  -2.858353      12.95852 
1 1 1 -9  18  18 f 102.691 5.9912  1288.52    148.637  1414.09    252.743  1222.12    183.776  106.983 9.8470  99.775  7.6493  7.208076       12.46900 
1 1 1 -9  18  19 o 169.212 6.6594  3490.87    273.419  3553.28    424.894  3446.76    357.202  169.823 10.361  167.605 8.8143  2.217514       13.60306 
1 1 1 -9  18  20 o 123.473 6.2400  1862.95    186.341  1573.81    304.888  2035.36    235.429  112.490 11.324  128.865 7.5626  -16.37470      13.61727 
1 1 1 -9  18  21 o 186.226 4.8589  4220.64    219.556  4348.84    311.460  4094.00    309.547  188.749 6.8007  183.108 6.9672  5.641479       9.736049 
1 1 1 -9  18  22 o 59.540  4.5852  433.979    65.731   558.049    91.536   301.884    94.449   67.427  5.6469  48.985  8.2389  18.44181       9.988359 
1 1 1 -9  18  23 o 181.665 5.4773  4024.98    241.434  3979.18    302.387  4105.53    400.989  180.348 6.9102  182.646 9.0481  -2.297714      11.38504 
1 1 1 -9  18  24 o 71.553  4.4450  626.037    76.791   592.768    104.313  665.397    113.459  69.344  6.2674  73.473  6.4289  -4.129021      8.978347 
1 1 1 -9  18  25 o 58.883  4.6265  425.358    65.568   482.220    87.478   352.453    99.053   62.527  5.8333  52.940  7.9573  9.586967       9.866431 
1 1 1 -9  18  26 o 83.421  4.2571  850.688    85.883   811.735    118.623  893.598    124.504  81.166  6.0671  85.183  6.0633  -4.016685      8.577535 
1 1 1 -9  18  27 o 35.948  6.1146  162.890    51.423   183.864    68.285   135.411    78.159   37.922  7.6843  32.572  9.3802  5.350784       12.12582 
1 1 1 -9  18  28 o 107.802 4.1993  1418.75    109.842  1451.07    155.559  1386.61    155.121  108.532 5.9295  106.053 6.0533  2.479393       8.473557 
1 1 1 -9  18  29 o 93.583  5.1237  1076.60    115.903  1123.60    135.693  949.791    222.883  95.412  5.8901  85.886  10.944  9.526039       12.42836 
1 1 1 -9  18  30 o 74.879  6.1724  695.766    111.144  695.766    111.144  0.0000     0.0000   74.879  6.1724  ?       ?       0.000000       6.172376 
1 1 1 -9  18  31 o 39.901  7.8045  204.873    72.854   204.873    72.854   0.0000     0.0000   39.901  7.8045  ?       ?       0.000000       7.804467 
1 1 1 -9  18  32 o 128.553 6.1098  2040.60    190.579  2071.78    239.391  1986.66    314.922  128.660 7.7037  124.343 10.537  4.317123       13.05289 
1 1 1 -9  18  33 o 79.189  5.9580  778.418    113.640  872.696    137.079  571.234    203.210  83.588  6.8181  64.819  13.365  18.76926       15.00329 
1 1 1 -9  18  34 o 89.276  4.5839  980.280    98.962   1104.35    153.610  892.249    129.391  94.036  6.7777  84.630  6.3473  9.405899       9.285794 
1 1 1 -9  18  35 o 15.676  6.7257  -1.1439    45.860   -11.3002   81.464   3.5681     55.488   20.122  8.7960  17.576  7.4655  2.545811       11.53703 
1 1 1 -9  18  36 o 12.795  5.9495  -38.5990   44.654   -48.4637   80.711   -34.2474   53.606   18.003  8.2358  14.662  6.7093  3.340266       10.62279 
1 1 1 -9  18  37 o 26.407  7.7362  89.974     52.758   64.743     87.646   104.311    66.068   25.907  9.9400  28.451  8.7333  -2.543877      13.23156 
1 1 1 -9  18  38 o 34.230  9.1528  156.496    77.492   624.279    202.373  76.123     83.885   66.796  12.954  26.484  9.8187  40.31142       16.25463 
1 1 1 -9  18  39 o 21.601  8.4997  38.763     65.356   0.0000     0.0000   38.763     65.356   ?       ?       21.601  8.4997  0.000000       8.499731 
1 1 1 -9  18  40 o 51.956  5.4016  339.354    67.100   376.384    96.193   304.261    93.644   53.893  7.5645  48.037  8.3366  5.856346       11.25698 
1 1 1 -9  18  41 o 14.819  6.5472  -11.2235   46.248   17.581     79.812   -25.7842   56.746   21.435  9.0207  15.570  7.0369  5.865802       11.44076 
1 1 1 -9  18  42 o 73.148  4.9244  667.095    86.893   637.202    121.921  697.952    123.872  70.399  7.2407  73.841  6.9973  -3.441208      10.06923 
1 1 1 -9  18  43 o 29.641  7.7128  116.772    56.003   112.448    88.690   119.640    72.224   29.673  10.195  29.975  9.1178  -0.3016815     13.67734 
1 1 1 -9  18  44 o 80.052  5.2957  801.435    102.282  837.653    132.269  747.564    161.314  81.085  6.7852  75.224  9.0176  5.860214       11.28526 
1 1 1 -9  18  45 o 14.749  6.9074  -56.0591   61.967   -42.8396   75.407   -83.5515   108.746  17.347  7.9451  19.703  9.2024  -2.355219      12.15768 
1 1 1 -9  18  46 o 29.012  10.021  107.609    85.747   144.568    91.170   -175.6409  252.393  32.599  10.300  28.579  13.553  4.019264       17.02238 
1 1 1 -9  18  47 o 25.053  9.4068  69.745     77.474   68.779     86.536   73.644     173.901  25.589  9.8617  31.230  13.238  -5.641397      16.50769 
1 1 1 -9  19  1  o 331.558 6.9952  13382.05   562.762  13257.08   793.532  13508.50   798.220  329.442 9.9271  332.559 9.8921  -3.117218      14.01431 
1 1 1 -9  19  2  o 125.388 3.8871  1909.55    118.261  1986.39    165.447  1829.27    169.107  127.824 5.3344  122.647 5.6825  5.176659       7.793979 
1 1 1 -9  19  3  o 327.136 9.9875  13084.59   792.770  13740.09   1098.23  12371.37   1145.56  334.147 13.545  316.594 14.913  17.55350       20.14599 
1 1 1 -9  19  4  o 88.277  5.3769  951.185    114.622  1097.03    144.791  706.350    187.602  94.724  6.3362  75.242  10.567  19.48225       12.32116 
1 1 1 -9  19  5  o 181.527 6.6085  4013.09    291.079  4207.96    391.418  3771.98    435.377  185.624 8.6905  175.221 10.285  10.40309       13.46534 
1 1 1 -9  19  6  o 408.685 12.134  20537.37   1203.29  21607.50   1678.17  19405.02   1726.26  416.784 16.594  394.081 18.053  22.70374       24.52128 
1 1 1 -9  19  7  o 356.646 10.619  15596.21   918.970  15624.12   1276.17  15566.15   1324.41  355.198 14.807  354.240 15.409  0.9578552      21.37001 
1 1 1 -9  19  8  o 166.527 6.2803  3377.05    253.762  3411.97    338.536  3332.28    383.382  167.145 8.3473  164.728 9.6338  2.417877       12.74705 
1 1 1 -9  19  9  o 38.389  4.8533  182.026    44.197   126.767    63.801   233.010    61.283   31.642  8.2317  43.346  5.9866  -11.70429      10.17839 
1 1 1 -9  19  10 o 87.222  3.7530  924.185    79.427   888.535    111.991  960.267    112.667  85.289  5.4399  88.697  5.2585  -3.407982      7.566029 
1 1 1 -9  19  11 o 229.486 6.0923  6411.40    339.237  6427.56    570.925  6402.58    421.765  229.046 10.273  229.110 7.5869  -0.6414795E-01 12.77079 
1 1 1 -9  19  12 o 56.216  4.1426  386.095    56.108   474.732    80.369   301.819    78.367   62.240  5.3745  49.324  6.7232  12.91605       8.607349 
1 1 1 -9  19  13 o 141.365 4.2439  2428.64    145.570  2449.61    206.105  2407.77    205.630  141.854 5.9880  140.635 6.0260  1.219528       8.495234 
1 1 1 -9  19  14 o 129.985 4.1097  2053.20    129.618  2210.91    185.303  1902.11    181.375  134.786 5.6660  124.997 5.9802  9.788498       8.238045 
1 1 1 -9  19  15 o 156.847 4.5170  2990.66    171.906  3205.49    244.464  2780.53    241.781  162.237 6.2101  151.064 6.5963  11.17308       9.059607 
1 1 1 -9  19  16 o 211.315 7.3996  5447.98    379.402  5478.40    572.132  5424.11    506.885  210.850 11.223  210.380 9.9298  0.4702606      14.98555 
1 1 1 -9  19  17 o 151.247 6.4806  2787.86    237.828  2413.68    373.573  3042.88    308.398  139.697 11.113  157.611 8.0915  -17.91444      13.74665 
1 1 1 -9  19  18 o 126.495 6.1356  1949.65    188.317  2244.96    313.538  1782.99    235.534  134.979 9.6366  120.509 8.1022  14.47002       12.59006 
1 1 1 -9  19  19 o 202.843 7.2702  5024.71    357.826  5001.30    541.113  5042.89    477.012  201.195 11.127  202.693 9.6990  -1.498016      14.76115 
1 1 1 -9  19  20 o 276.715 6.2433  9339.62    419.189  9443.97    593.618  9235.84    592.030  277.519 8.8156  274.418 8.8913  3.100250       12.52079 
1 1 1 -9  19  21 o 125.082 4.2501  1903.48    128.989  2028.37    182.982  1780.12    181.859  128.957 5.8479  120.606 6.2357  8.351051       8.548803 
1 1 1 -9  19  22 o 183.085 4.8769  4084.29    216.649  4213.65    307.521  3956.83    305.269  185.577 6.8294  179.795 6.9975  5.781921       9.777820 
1 1 1 -9  19  23 o 203.372 5.1584  5046.10    254.548  5042.90    360.009  5049.30    359.961  202.732 7.3186  202.863 7.3129  -0.1304169     10.34602 
1 1 1 -9  19  24 o 72.560  4.4002  644.110    77.105   650.264    104.485  636.751    114.254  72.653  5.9801  71.763  6.6367  0.8901901      8.933549 
1 1 1 -9  19  25 o 90.755  4.6410  1007.92    101.857  895.811    153.261  1096.62    136.318  84.937  7.5141  94.413  5.9815  -9.476295      9.604151 
1 1 1 -9  19  26 f 114.085 4.2636  1588.31    118.022  1476.91    164.510  1706.45    169.414  109.481 6.2185  117.781 5.9473  -8.300316      8.604615 
1 1 1 -9  19  27 o 87.869  4.2870  942.969    91.402   903.891    126.856  985.159    131.809  85.517  6.1547  89.306  6.1197  -3.788773      8.679334 
1 1 1 -9  19  28 o 122.391 5.1558  1836.76    153.114  1850.86    181.514  1801.99    285.091  122.600 6.1017  119.158 9.9515  3.442093       11.67318 
1 1 1 -9  19  29 o 122.041 4.2735  1821.37    126.548  1777.26    179.710  1864.75    178.231  119.879 6.1994  123.023 5.9708  -3.143738      8.607171 
1 1 1 -9  19  30 o 75.018  6.2367  699.612    112.493  699.612    112.493  0.0000     0.0000   75.018  6.2367  ?       ?       0.000000       6.236694 
1 1 1 -9  19  31 o 61.551  7.4293  478.158    108.710  478.158    108.710  0.0000     0.0000   61.551  7.4293  ?       ?       0.000000       7.429304 
1 1 1 -9  19  32 o 77.888  5.9346  753.305    111.313  797.926    131.611  641.177    208.630  79.874  6.8573  68.933  12.949  10.94133       14.65256 
1 1 1 -9  19  33 o 16.322  6.6225  14.387     40.923   54.740     62.705   -15.5531   54.012   23.066  8.5012  15.956  7.0613  7.110080       11.05136 
1 1 1 -9  19  34 o 22.202  7.5670  57.673     48.845   -34.6069   85.542   102.316    59.498   19.360  8.7049  28.175  8.2046  -8.815008      11.96204 
1 1 1 -9  19  35 o 22.039  7.6177  56.167     49.553   2.4901     80.928   88.363     62.677   20.842  8.9380  26.581  8.5549  -5.739040      12.37232 
1 1 1 -9  19  36 o 40.508  6.2930  209.016    59.847   185.513    90.888   227.006    79.518   37.173  9.8998  41.651  8.1600  -4.478123      12.82937 
1 1 1 -9  19  37 o 27.424  8.6101  96.482     63.808   -140.7206  200.672  123.162    67.301   26.593  12.446  30.545  8.6748  -3.951910      15.17125 
1 1 1 -9  19  38 o 32.402  9.4048  140.388    78.293   0.0000     0.0000   140.388    78.293   ?       ?       32.402  9.4048  0.000000       9.404772 
1 1 1 -9  19  39 o 117.177 5.0163  1703.85    142.622  1791.67    217.582  1637.69    188.852  118.237 7.6248  113.585 6.8848  4.651756       10.27319 
1 1 1 -9  19  40 f 35.468  6.9380  164.492    57.570   201.414    86.758   135.443    76.954   38.446  9.3827  31.713  9.3583  6.733049       13.25193 
1 1 1 -9  19  41 o 77.501  4.8358  748.165    90.484   752.076    127.924  744.249    128.003  76.660  6.9529  76.232  6.9984  0.4285812      9.865105 
1 1 1 -9  19  42 o 24.008  8.0505  71.563     55.277   125.262    81.626   26.075     75.126   30.672  9.7515  21.487  8.8741  9.185390       13.18488 
1 1 1 -9  19  43 f 90.067  5.1557  1012.71    112.205  923.494    148.071  1133.02    171.960  84.828  7.2640  93.759  7.6248  -8.931282      10.53102 
1 1 1 -9  19  44 o 34.285  8.3925  158.167    69.254   240.638    85.350   -0.7734    118.487  42.366  8.5967  24.187  10.590  18.17852       13.63984 
1 1 1 -9  19  45 o 41.893  9.3766  240.127    92.935   218.620    98.188   425.149    287.990  39.621  10.164  50.098  18.256  -10.47703      20.89427 
1 1 1 -9  19  46 o 33.762  10.244  158.493    91.257   149.718    97.494   220.573    259.318  32.955  10.676  40.363  16.558  -7.408363      19.70144 
1 1 1 -9  20  1  o 150.413 5.9440  2752.82    216.934  2627.33    288.543  2915.98    329.008  146.533 8.1476  154.287 8.8251  -7.754028      12.01107 
1 1 1 -9  20  2  o 162.696 6.1895  3222.08    244.341  3191.51    326.292  3261.10    368.677  161.490 8.3558  163.068 9.3569  -1.578384      12.54476 
1 1 1 -9  20  3  o 240.556 7.6944  7058.28    449.111  6612.33    612.218  7577.88    660.844  232.215 10.866  248.569 10.957  -16.35437      15.43095 
1 1 1 -9  20  4  o 146.758 5.8179  2621.35    207.174  2304.97    273.745  3045.51    316.961  137.151 8.2645  157.711 8.3122  -20.55939      11.72154 
1 1 1 -9  20  5  o 345.811 10.361  14658.81   869.336  14719.67   1205.54  14592.89   1254.79  344.878 14.406  343.069 15.074  1.808411       20.85100 
1 1 1 -9  20  6  o 142.836 5.8421  2483.46    202.474  2424.64    267.110  2562.90    310.429  140.731 7.8537  144.520 8.8958  -3.788742      11.86659 
1 1 1 -9  20  7  f 186.087 4.7224  4210.17    213.226  4224.51    300.496  4195.63    302.610  186.206 6.6509  185.560 6.7210  0.6460266      9.455503 
1 1 1 -9  20  8  f 40.038  4.6234  197.466    44.090   202.805    62.134   192.051    62.574   40.286  6.5840  39.137  6.8383  1.148842       9.492687 
1 1 1 -9  20  9  o 135.630 4.0679  2235.27    133.871  2224.31    188.550  2246.42    190.104  135.190 5.7480  135.859 5.7668  -0.6688080     8.142226 
1 1 1 -9  20  10 o 295.738 6.4775  10653.48   464.816  10840.29   656.084  10465.22   658.620  297.745 9.0814  292.498 9.2800  5.247009       12.98422 
1 1 1 -9  20  11 o 205.980 5.0445  5160.00    252.118  5055.26    355.738  5265.70    357.365  203.620 7.2002  207.831 7.0866  -4.211121      10.10261 
1 1 1 -9  20  12 o 92.148  3.9762  1031.75    88.902   1049.16    124.770  1013.79    126.706  92.687  5.5738  91.084  5.7628  1.602158       8.017292 
1 1 1 -9  20  13 o 10.074  4.8649  -57.7136   35.949   -2.0873    46.931   -136.6873  55.920   15.958  6.8240  10.992  5.4575  4.966108       8.737926 
1 1 1 -9  20  14 o 152.938 5.3332  2845.98    197.908  3317.80    375.060  2663.92    232.984  164.354 9.4446  147.861 6.4939  16.49301       11.46177 
1 1 1 -9  20  15 o 142.429 6.1882  2471.17    213.858  2876.67    343.447  2214.38    273.310  153.007 9.2949  134.335 8.4277  18.67270       12.54679 
1 1 1 -9  20  16 o 75.295  6.4716  696.060    117.084  943.349    220.389  598.821    138.200  87.002  10.663  69.495  8.3637  17.50661       13.55195 
1 1 1 -9  20  17 o 197.364 7.1656  4754.79    343.150  4809.09    524.853  4714.24    453.503  197.377 11.003  196.059 9.5330  1.317413       14.55822 
1 1 1 -9  20  18 o 203.150 5.7413  5028.38    283.004  5099.52    353.616  4901.64    472.006  204.345 7.1319  199.775 9.7374  4.570587       12.06980 
1 1 1 -9  20  19 o 84.477  4.2655  870.250    87.149   911.620    122.193  827.420    124.329  86.273  5.8722  82.114  6.2879  4.159325       8.603487 
1 1 1 -9  20  20 o 149.963 4.4827  2737.33    163.115  2803.27    231.919  2672.79    229.458  151.515 6.3084  147.934 6.3925  3.580933       8.981050 
1 1 1 -9  20  21 o 13.568  6.0509  -16.4826   40.433   86.750     54.090   -147.2211  60.871   26.415  7.8584  11.491  5.7032  14.92481       9.709821 
1 1 1 -9  20  22 o 140.616 4.4118  2409.13    150.528  2327.06    214.226  2489.17    211.556  137.875 6.4036  142.654 6.1119  -4.778564      8.852177 
1 1 1 -9  20  23 o 118.809 4.1978  1720.18    121.012  1587.15    171.523  1852.02    170.753  113.648 6.2440  123.042 5.7194  -9.394188      8.467554 
1 1 1 -9  20  24 o 107.594 4.6378  1413.31    121.078  1377.34    186.803  1439.36    158.999  105.478 7.3448  108.173 6.0824  -2.695724      9.536340 
1 1 1 -9  20  25 o 95.553  4.2594  1114.39    98.755   1021.06    137.172  1214.81    142.289  90.943  6.2543  99.315  5.9317  -8.372238      8.619860 
1 1 1 -9  20  26 o 35.070  6.5590  156.310    53.762   139.427    70.584   179.640    82.972   32.855  8.7120  37.179  9.2382  -4.323959      12.69817 
1 1 1 -9  20  27 o 52.087  6.3989  339.442    79.172   272.944    86.641   676.015    194.919  46.210  8.0179  71.940  11.558  -25.72997      14.06671 
1 1 1 -9  20  28 o 51.362  6.1086  329.723    74.636   292.889    83.289   479.886    168.168  48.038  7.3818  60.103  11.952  -12.06570      14.04795 
1 1 1 -9  20  29 o 36.820  8.6568  176.808    76.039   176.808    76.039   0.0000     0.0000   36.820  8.6568  ?       ?       0.000000       8.656809 
1 1 1 -9  20  30 f 84.562  7.1743  895.561    145.815  895.561    145.815  0.0000     0.0000   84.562  7.1743  ?       ?       0.000000       7.174280 
1 1 1 -9  20  31 o 105.366 5.9467  1375.80    151.413  1241.21    183.158  1666.33    269.096  99.375  7.6549  114.008 9.8235  -14.63348      12.45387 
1 1 1 -9  20  32 o 30.755  6.8675  122.160    49.952   174.564    74.722   79.819     67.166   36.503  8.5811  25.964  8.8733  10.53856       12.34381 
1 1 1 -9  20  33 o 23.067  7.5850  64.492     49.134   -92.7922   85.378   142.375    60.080   16.770  7.9321  33.059  7.6427  -16.28856      11.01492 
1 1 1 -9  20  34 o 33.501  7.2268  145.813    57.019   127.822    94.070   156.261    71.689   31.748  10.498  34.416  8.6071  -2.667410      13.57526 
1 1 1 -9  20  35 o 47.098  5.8405  279.552    65.313   271.146    101.096  285.575    85.568   45.090  9.5382  46.967  7.7810  -1.876812      12.30941 
1 1 1 -9  20  36 o 51.550  7.5543  342.836    91.687   347.358    225.524  341.941    100.355  48.418  16.261  51.146  8.3765  -2.728661      18.29152 
1 1 1 -9  20  37 o 42.829  9.0097  245.414    90.663   0.0000     0.0000   245.414    90.663   ?       ?       42.829  9.0097  0.000000       9.009683 
1 1 1 -9  20  38 o 89.729  6.7583  1022.85    146.062  0.0000     0.0000   1022.85    146.062  ?       ?       89.729  6.7583  0.000000       6.758318 
1 1 1 -9  20  39 o 42.449  6.3032  231.382    62.951   170.043    92.611   284.064    85.828   35.166  10.235  46.462  7.8958  -11.29578      12.92650 
1 1 1 -9  20  40 o 24.821  8.0775  78.358     55.776   234.814    85.904   -35.6654   73.336   41.753  8.7589  17.415  7.9217  24.33825       11.80986 
1 1 1 -9  20  41 o 35.422  7.1348  165.038    59.202   201.287    89.100   136.385    79.217   38.276  9.6082  31.751  9.5248  6.525908       13.52917 
1 1 1 -9  20  42 o 48.843  5.9627  303.605    69.198   287.374    99.844   318.608    95.991   46.076  9.2519  49.010  8.3727  -2.933384      12.47801 
1 1 1 -9  20  43 o 22.582  8.7771  47.634     69.000   17.808     85.575   103.057    116.651  21.998  9.3035  30.107  11.487  -8.108944      14.78224 
1 1 1 -9  20  44 o 31.722  9.0995  136.709    73.682   146.574    92.101   119.169    122.806  32.760  10.352  31.400  11.833  1.360653       15.72207 
1 1 1 -9  20  45 o 34.602  10.223  167.313    91.781   175.745    97.990   107.024    262.005  35.346  10.591  36.254  15.813  -0.9084587     19.03250 
1 1 1 -9  21  1  f 146.542 5.9906  2614.22    213.009  2757.05    282.784  2426.89    323.856  150.116 7.7904  140.507 9.5560  9.609116       12.32914 
1 1 1 -9  21  2  o 388.799 11.366  18571.19   1072.21  18077.35   1491.90  19098.75   1542.01  381.190 16.130  391.756 16.222  -10.56531      22.87651 
1 1 1 -9  21  3  o 151.992 6.0701  2812.95    223.863  2901.28    295.759  2694.46    342.551  153.958 7.9443  148.052 9.5870  5.906372       12.45081 
1 1 1 -9  21  4  o 312.385 9.5115  11946.07   720.950  11872.78   995.264  12026.99   1045.76  310.131 13.226  311.893 13.819  -1.762146      19.12804 
1 1 1 -9  21  5  o 211.501 5.0636  5440.75    259.857  5497.61    365.769  5382.81    369.243  212.344 7.0991  210.093 7.2433  2.250259       10.14213 
1 1 1 -9  21  6  o 44.260  4.4096  240.466    46.726   298.301    66.621   184.471    65.552   49.183  5.6875  38.261  7.3278  10.92162       9.275994 
1 1 1 -9  21  7  o 133.662 4.1063  2171.03    133.176  2199.31    187.531  2142.26    189.158  134.423 5.7496  132.659 5.8766  1.764435       8.221412 
1 1 1 -9  21  8  o 92.419  3.7629  1037.68    84.383   1043.69    118.510  1031.50    120.177  92.473  5.3039  91.918  5.4123  0.5549927      7.577894 
1 1 1 -9  21  9  o 97.713  3.8431  1160.04    91.118   1205.21    128.395  1114.21    129.330  99.388  5.3438  95.523  5.6045  3.865318       7.743781 
1 1 1 -9  21  10 o 98.611  3.9813  1181.61    95.262   1108.30    134.220  1256.03    135.227  95.240  5.8362  101.447 5.5143  -6.207199      8.029300 
1 1 1 -9  21  11 o 136.439 4.2246  2262.52    139.858  2236.16    196.972  2289.33    198.616  135.518 5.9902  137.121 5.9696  -1.603470      8.456882 
1 1 1 -9  21  12 o 129.833 4.1619  2048.72    131.111  1928.81    184.592  2170.79    186.258  125.851 6.0449  133.536 5.7485  -7.685112      8.341805 
1 1 1 -9  21  13 o 231.829 7.7140  6561.75    433.924  6706.11    642.265  6440.52    588.567  233.513 11.335  229.039 10.591  4.473862       15.51305 
1 1 1 -9  21  14 o 152.299 6.2338  2826.17    230.364  2909.67    354.149  2764.92    303.297  153.804 9.5368  150.155 8.3577  3.648438       12.68077 
1 1 1 -9  21  15 f 187.212 6.9685  4276.26    316.545  4108.90    482.838  4402.41    419.201  182.439 10.958  189.573 9.1134  -7.133484      14.25257 
1 1 1 -9  21  16 o 88.795  6.2178  965.830    133.120  825.274    242.416  1026.52    159.285  80.722  12.804  91.404  7.2413  -10.68242      14.70998 
1 1 1 -9  21  17 f 96.005  4.1530  1120.83    96.744   1143.76    136.729  1097.83    136.904  96.695  5.8552  94.708  5.9883  1.986572       8.375194 
1 1 1 -9  21  18 o 104.081 4.1920  1317.74    105.865  1317.48    148.459  1318.02    151.005  103.767 5.9209  103.773 6.0230  -0.5966187E-02 8.445912 
1 1 1 -9  21  19 o 200.758 5.0842  4911.46    247.664  5081.90    351.071  4742.61    349.435  203.783 7.1001  196.810 7.3174  6.972824       10.19582 
1 1 1 -9  21  20 o 72.623  4.2750  644.393    74.999   712.438    105.516  574.914    106.622  76.168  5.7517  68.248  6.5179  7.920479       8.692815 
1 1 1 -9  21  21 o 61.312  4.5480  460.715    67.178   409.329    95.182   511.717    94.826   57.356  6.9835  64.381  6.1449  -7.024986      9.302077 
1 1 1 -9  21  22 o 101.049 4.2377  1244.71    103.904  1314.53    148.305  1177.40    145.617  103.444 5.9334  97.833  6.1659  5.611595       8.557050 
1 1 1 -9  21  23 o 69.938  4.6159  599.812    77.891   652.813    119.729  560.921    102.562  72.522  6.8867  67.296  6.3563  5.225800       9.371723 
1 1 1 -9  21  24 o 21.486  7.5216  50.941     48.385   74.132     63.150   17.973     75.294   25.295  8.6041  21.463  8.8757  3.832689       12.36153 
1 1 1 -9  21  25 o 26.149  7.3830  86.986     48.898   133.400    63.521   19.481     76.606   32.141  8.1372  21.694  8.9605  10.44704       12.10390 
1 1 1 -9  21  26 o 58.926  5.9066  431.557    83.315   502.542    91.652   93.795     199.925  63.605  6.0098  35.970  14.622  27.63554       15.80879 
1 1 1 -9  21  27 o 108.274 5.1130  1439.33    134.327  1377.68    156.295  1613.58    262.752  105.487 6.1328  112.549 9.7167  -7.062073      11.49028 
1 1 1 -9  21  28 o 107.491 7.3672  1445.05    190.988  1445.05    190.988  0.0000     0.0000   107.491 7.3672  ?       ?       0.000000       7.367157 
1 1 1 -9  21  29 o 128.811 7.8007  2082.17    242.659  2082.17    242.659  0.0000     0.0000   128.811 7.8007  ?       ?       0.000000       7.800687 
1 1 1 -9  21  30 o 174.580 6.8625  3790.48    290.699  3629.84    372.427  4040.95    465.053  169.057 9.1128  176.721 10.899  -7.664856      14.20649 
1 1 1 -9  21  31 o 65.402  5.2033  530.045    81.889   529.793    114.148  530.312    117.543  64.705  7.4038  64.652  7.6406  0.5326080E-01  10.63930 
1 1 1 -9  21  32 o 44.529  5.8929  249.610    62.106   235.635    90.270   262.171    85.580   42.296  9.0682  44.971  8.1427  -2.674610      12.18755 
1 1 1 -9  21  33 o 20.081  7.6004  38.048     50.806   150.328    82.810   -29.7239   64.337   33.700  9.6405  16.633  7.5073  17.06785       12.21881 
1 1 1 -9  21  34 o 69.681  4.9868  602.636    83.757   761.009    120.876  456.366    116.166  77.780  6.4633  59.379  8.2887  18.40133       10.51083 
1 1 1 -9  21  35 o 43.655  8.1127  249.946    82.771   429.885    217.282  219.402    89.521   53.477  15.709  40.423  9.3180  13.05344       18.26497 
1 1 1 -9  21  36 o 39.728  8.9147  211.672    83.822   0.0000     0.0000   211.672    83.822   ?       ?       39.728  8.9147  0.000000       8.914732 
1 1 1 -9  21  37 o 38.959  8.8828  204.578    82.107   0.0000     0.0000   204.578    82.107   ?       ?       38.959  8.8828  0.000000       8.882816 
1 1 1 -9  21  38 o 32.679  7.2545  141.146    56.023   116.408    84.383   160.645    74.915   29.854  9.9461  34.417  8.9035  -4.563240      13.34902 
1 1 1 -9  21  39 f 39.518  6.2060  201.094    57.546   218.678    85.185   186.334    78.047   40.141  8.9717  37.063  8.8084  3.078281       12.57292 
1 1 1 -9  21  40 o 62.498  5.1524  489.940    77.438   522.843    109.433  456.939    109.595  63.610  7.2180  59.104  7.8352  4.506500       10.65320 
1 1 1 -9  21  41 o 14.931  6.5550  -8.0871    45.672   65.447     74.231   -52.8809   57.936   24.572  9.2114  14.246  6.6741  10.32596       11.37510 
1 1 1 -9  21  42 o 22.545  8.5298  52.295     63.976   73.615     77.911   8.1642     112.094  25.545  9.4642  23.999  10.406  1.546158       14.06646 
1 1 1 -9  21  43 f 22.830  8.8023  51.177     68.964   -105.5679  84.234   369.848    120.105  15.899  7.6195  51.893  9.8999  -35.99398      12.49261 
1 1 1 -9  21  44 o 35.371  10.347  175.803    94.436   172.376    100.956  199.794    267.115  34.988  10.805  39.602  16.575  -4.613949      19.78576 
1 1 1 -9  22  1  o 322.547 9.7187  12743.75   760.615  12406.89   1052.14  13112.52   1100.86  316.767 13.689  325.538 13.937  -8.771393      19.53516 
1 1 1 -9  22  2  o 42.585  4.4858  222.900    45.654   225.003    65.106   220.865    64.036   42.488  6.5238  42.094  6.4772  0.3931427      9.193182 
1 1 1 -9  22  3  o 180.186 4.6664  3947.60    204.018  4062.50    286.720  3829.77    290.363  182.605 6.4712  177.264 6.7508  5.340714       9.351460 
1 1 1 -9  22  4  o 216.301 5.1498  5691.27    270.282  5749.06    380.603  5632.48    383.890  217.117 7.2246  214.883 7.3628  2.234406       10.31530 
1 1 1 -9  22  5  o 73.742  3.8038  662.439    67.830   713.380    96.054   611.770    95.798   76.402  5.2125  70.676  5.6330  5.725311       7.674709 
1 1 1 -9  22  6  o 91.075  3.7372  1007.72    82.586   1070.21    115.426  942.177    118.214  93.662  5.0982  87.812  5.5771  5.849579       7.556131 
1 1 1 -9  22  7  o 54.034  4.0888  356.831    53.211   379.111    75.241   334.539    75.262   55.525  5.6641  52.066  6.0714  3.459164       8.303239 
1 1 1 -9  22  8  o 152.137 4.3490  2813.45    160.541  2753.48    225.528  2875.06    228.582  150.360 6.1817  153.648 6.1313  -3.288544      8.706631 
1 1 1 -9  22  9  o 102.593 3.9611  1279.02    98.604   1357.89    138.560  1198.09    140.352  105.496 5.4314  99.027  5.8673  6.468521       7.995362 
1 1 1 -9  22  10 o 166.165 4.5377  3357.01    182.952  3237.03    257.608  3479.11    259.874  162.982 6.5141  168.987 6.3379  -6.004379      9.088592 
1 1 1 -9  22  11 o 276.825 8.8182  9374.97    592.312  8985.39    863.762  9720.77    813.782  269.624 13.203  280.913 11.939  -11.28888      17.80056 
1 1 1 -9  22  12 o 288.885 12.519  10301.45   877.512  0.0000     0.0000   10301.45   877.512  ?       ?       288.885 12.519  0.000000       12.51882 
1 1 1 -9  22  13 o 79.703  6.1306  778.590    117.652  832.785    195.867  747.998    147.158  81.773  10.085  77.847  7.9002  3.926750       12.81111 
1 1 1 -9  22  14 o 117.085 5.6198  1669.65    159.658  2990.53    256.440  833.550    204.024  156.564 6.7504  81.685  10.540  74.87894       12.51598 
1 1 1 -9  22  15 o 77.920  6.1152  744.720    114.689  693.706    196.966  770.888    141.072  74.193  11.298  79.083  7.4392  -4.889153      13.52714 
1 1 1 -9  22  16 o 57.203  4.8749  401.212    67.017   417.141    99.043   387.759    91.017   57.988  7.1937  55.937  6.8491  2.050987       9.932720 
1 1 1 -9  22  17 o 155.067 4.5290  2926.84    170.405  2773.89    240.708  3080.50    241.270  150.686 6.5835  158.848 6.2597  -8.162384      9.084397 
1 1 1 -9  22  18 o 111.524 4.1661  1513.75    112.736  1540.04    159.561  1487.54    159.305  112.161 5.8835  110.211 5.9795  1.949944       8.388745 
1 1 1 -9  22  19 o 51.181  5.0385  322.538    61.761   316.790    86.469   328.524    88.244   50.314  7.2956  51.254  7.3021  -0.9399834     10.32218 
1 1 1 -9  22  20 o 31.985  6.5156  129.857    48.850   153.974    64.821   98.155     74.316   34.692  7.8801  28.609  9.3245  6.082737       12.20829 
1 1 1 -9  22  21 o 77.151  4.3094  728.103    80.349   699.340    114.284  756.219    112.990  75.250  6.3176  78.338  5.9897  -3.088051      8.705639 
1 1 1 -9  22  22 o 147.117 5.0324  2646.88    179.640  2666.71    290.473  2634.60    228.598  146.488 8.2052  146.405 6.4351  0.8256531E-01  10.42764 
1 1 1 -9  22  23 o 89.967  4.2044  988.188    91.780   990.233    130.842  986.208    128.776  89.562  6.0565  89.400  5.9709  0.1614609      8.504841 
1 1 1 -9  22  24 o 28.647  7.0189  105.473    48.404   140.109    68.196   70.309     68.715   32.901  8.4867  25.248  8.9524  7.653461       12.33572 
1 1 1 -9  22  25 o 49.717  6.3923  309.965    75.327   355.054    82.026   67.217     190.321  53.239  6.4836  34.089  14.105  19.14986       15.52418 
1 1 1 -9  22  26 o 109.759 4.2304  1473.94    112.664  1442.40    160.228  1504.78    158.449  107.912 6.1448  110.300 5.9423  -2.388466      8.548017 
1 1 1 -9  22  27 o 106.592 7.2918  1421.22    187.460  1421.22    187.460  0.0000     0.0000   106.592 7.2918  ?       ?       0.000000       7.291818 
1 1 1 -9  22  28 o 86.292  7.1707  933.513    148.781  933.513    148.781  0.0000     0.0000   86.292  7.1707  ?       ?       0.000000       7.170731 
1 1 1 -9  22  29 o 125.779 6.1718  1959.35    188.357  1959.02    233.334  1959.98    319.130  124.824 7.7422  122.846 10.817  1.978325       13.30196 
1 1 1 -9  22  30 o 10.284  4.9406  -51.9996   35.896   -176.1415  53.401   50.336     48.484   9.5397  4.8174  21.285  7.5229  -11.74531      8.933130 
1 1 1 -9  22  31 o 42.839  6.1916  232.298    62.491   223.637    95.409   238.806    82.699   40.974  9.7397  42.817  8.2595  -1.842545      12.77032 
1 1 1 -9  22  32 o 80.292  4.7315  796.665    91.772   807.079    131.929  786.901    127.742  80.026  6.8607  79.072  6.7219  0.9543610      9.604796 
1 1 1 -9  22  33 o 39.075  6.6194  196.024    60.519   166.827    92.853   217.589    79.797   35.251  10.245  40.640  8.3710  -5.388294      13.22991 
1 1 1 -9  22  34 o 40.446  8.1631  215.705    77.350   -62.6087   218.032  255.776    82.731   29.931  13.632  44.190  8.0108  -14.25875      15.81173 
1 1 1 -9  22  35 o 47.832  8.4568  302.184    94.560   0.0000     0.0000   302.184    94.560   ?       ?       47.832  8.4568  0.000000       8.456849 
1 1 1 -9  22  36 o 28.803  8.8305  109.552    67.570   0.0000     0.0000   109.552    67.570   ?       ?       28.803  8.8305  0.000000       8.830469 
1 1 1 -9  22  37 o 56.802  5.5190  407.004    75.106   517.064    112.002  317.075    101.242  63.159  7.4520  48.590  8.9156  14.56806       11.61986 
1 1 1 -9  22  38 o 51.063  5.8451  331.494    71.117   302.371    106.063  355.283    95.859   47.002  9.6240  51.988  7.8430  -4.986977      12.41505 
1 1 1 -9  22  39 f 54.428  5.5451  374.591    72.208   403.498    104.782  348.448    99.647   55.344  8.0380  51.234  8.2997  4.109619       11.55393 
1 1 1 -9  22  40 o 17.762  7.1918  20.360     48.153   25.954     76.908   16.753     61.755   21.608  8.9559  19.200  7.9971  2.408001       12.00672 
1 1 1 -9  22  41 o 21.819  8.2826  48.154     60.449   77.192     79.872   9.2225     92.483   25.957  9.5894  22.137  9.5257  3.820158       13.51645 
1 1 1 -9  22  42 o 24.058  8.4474  69.942     61.050   157.363    80.123   -51.0680   94.267   33.825  9.4159  19.250  8.8410  14.57468       12.91601 
1 1 1 -9  22  43 o 27.340  9.6226  94.400     79.246   50.590     83.608   481.679    248.585  23.915  9.5489  52.980  17.036  -29.06448      19.52951 
1 1 1 -9  23  1  f 47.777  4.1159  279.459    47.248   264.615    68.632   292.831    65.141   46.189  6.2873  48.731  5.6116  -2.542633      8.427373 
1 1 1 -9  23  2  o 73.894  3.7430  665.107    66.893   646.385    94.172   684.174    95.034   72.687  5.3777  74.805  5.2695  -2.118027      7.529101 
1 1 1 -9  23  3  o 144.890 4.1447  2551.41    145.713  2566.78    204.296  2535.48    207.890  145.204 5.7985  144.304 5.9374  0.9000549      8.299102 
1 1 1 -9  23  4  o 121.619 3.9751  1797.38    117.303  1810.10    164.634  1784.26    167.177  121.953 5.5637  121.071 5.6908  0.8824615      7.958638 
1 1 1 -9  23  5  o 180.419 4.6175  3957.82    202.139  4169.16    284.338  3741.88    287.423  184.994 6.3345  175.208 6.7609  9.786255       9.264745 
1 1 1 -9  23  6  o 322.588 6.9935  12689.35   547.400  12614.40   772.341  12765.00   775.953  320.811 9.9219  322.725 9.9092  -1.913483      14.02272 
1 1 1 -9  23  7  o 272.544 6.0574  9046.57    400.576  9065.80    565.102  9027.15    567.908  272.312 8.5525  271.716 8.6139  0.5960999      12.13857 
1 1 1 -9  23  8  o 214.534 5.0571  5599.08    263.245  5208.47    371.178  5994.38    373.401  206.593 7.4046  221.711 6.9410  -15.11781      10.14921 
1 1 1 -9  23  9  o 68.672  6.0715  578.881    100.125  419.897    166.689  668.623    125.236  57.289  12.355  73.700  7.0907  -16.41134      14.24497 
1 1 1 -9  23  10 o 249.170 8.1074  7588.01    490.165  7573.36    719.322  7600.71    669.729  247.860 11.961  248.579 11.104  -0.7196045     16.32023 
1 1 1 -9  23  11 o 70.480  6.1785  609.915    104.594  549.390    179.200  641.189    128.813  65.841  11.643  72.084  7.4733  -6.243080      13.83495 
1 1 1 -9  23  12 o 63.941  6.4780  503.602    99.118   338.478    174.144  582.729    120.549  51.339  13.718  68.695  7.3461  -17.35603      15.56122 
1 1 1 -9  23  13 o ?       ?       -1134.6200 24.223   -1378.2889 43.641   -1026.1260 29.121   ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  23  14 o 109.519 4.0572  1458.52    107.814  1406.53    151.016  1512.57    153.970  107.262 5.8243  111.258 5.7229  -3.995636      8.165409 
1 1 1 -9  23  15 o 159.038 4.4940  3078.09    173.419  3105.71    244.636  3050.18    245.871  159.510 6.3208  158.063 6.4108  1.446320       9.002800 
1 1 1 -9  23  16 o 8.0062  4.0237  -105.9370  34.851   -105.4257  47.316   -106.5434  51.526   10.431  5.1502  11.153  5.4812  -0.7225771     7.521188 
1 1 1 -9  23  17 o 73.657  4.2974  662.808    76.470   599.072    106.143  731.589    110.264  69.715  6.3442  77.165  5.9346  -7.450302      8.687245 
1 1 1 -9  23  18 o 65.940  4.3491  532.032    69.194   544.872    95.056   517.561    100.916  66.492  5.9548  64.689  6.5181  1.803032       8.828682 
1 1 1 -9  23  19 o 68.000  4.3643  566.016    71.629   548.502    99.655   584.735    103.026  66.623  6.2372  68.806  6.2388  -2.183220      8.821872 
1 1 1 -9  23  20 o 112.781 4.2490  1551.32    116.275  1619.14    165.032  1484.48    163.850  114.781 5.9460  109.836 6.1731  4.945404       8.570990 
1 1 1 -9  23  21 o 85.169  4.5286  888.494    93.249   824.782    145.689  932.707    121.366  81.378  7.4613  87.012  5.7814  -5.634018      9.439060 
1 1 1 -9  23  22 o 98.179  4.1859  1177.09    99.718   1113.20    142.150  1238.98    139.921  94.914  6.2065  100.273 5.7753  -5.358574      8.477929 
1 1 1 -9  23  23 o 42.990  5.3383  230.212    54.485   163.954    77.258   295.776    76.852   35.499  8.9667  48.492  6.7116  -12.99221      11.20030 
1 1 1 -9  23  24 o 58.494  4.7425  422.002    66.731   452.873    93.915   390.524    94.835   60.183  6.5364  55.658  7.1904  4.524784       9.717285 
1 1 1 -9  23  25 o 11.773  5.4492  -30.2334   36.814   75.903     54.692   -118.1598  49.779   24.868  7.9901  10.419  5.1689  14.44939       9.516279 
1 1 1 -9  23  26 o 24.871  8.9168  67.952     68.349   67.952     68.349   0.0000     0.0000   24.871  8.9168  ?       ?       0.000000       8.916761 
1 1 1 -9  23  27 o 57.306  7.6105  417.255    103.204  417.255    103.204  0.0000     0.0000   57.306  7.6105  ?       ?       0.000000       7.610471 
1 1 1 -9  23  28 o 93.237  5.9659  1079.92    134.260  1050.97    161.292  1145.21    242.274  91.432  7.3320  93.590  10.871  -2.158142      13.11266 
1 1 1 -9  23  29 o 10.501  5.0384  -52.6392   37.072   26.744     57.534   -108.9974  48.478   19.804  7.9163  10.458  5.1726  9.346253       9.456431 
1 1 1 -9  23  30 o 23.795  7.7838  69.329     51.768   106.873    83.823   46.180     65.821   29.420  9.9133  22.461  8.6149  6.959131       13.13355 
1 1 1 -9  23  31 o 72.039  4.8874  642.904    84.924   686.306    122.761  603.071    117.606  73.686  6.9481  68.961  7.1315  4.724968       9.956632 
1 1 1 -9  23  32 o 34.855  6.9125  157.629    56.396   93.570     88.708   201.082    73.061   28.283  10.156  39.140  7.9641  -10.85680      12.90659 
1 1 1 -9  23  33 o 32.414  9.0497  140.443    73.897   188.195    209.970  133.692    78.948   39.272  15.298  31.705  9.5080  7.566818       18.01206 
1 1 1 -9  23  34 o 37.982  8.4038  192.570    75.398   154.284    208.872  198.306    80.849   37.287  15.020  38.398  8.8582  -1.111008      17.43760 
1 1 1 -9  23  35 o 29.913  8.9665  119.431    70.223   0.0000     0.0000   119.431    70.223   ?       ?       29.913  8.9665  0.000000       8.966463 
1 1 1 -9  23  36 o 55.029  5.6314  383.075    74.133   478.282    109.982  303.802    100.357  60.572  7.6540  47.431  9.0504  13.14117       11.85299 
1 1 1 -9  23  37 o 22.090  8.0294  54.938     55.661   104.827    89.030   22.924     71.318   28.831  10.194  20.766  8.6170  8.064388       13.34783 
1 1 1 -9  23  38 o 20.171  7.5472  42.098     49.787   7.0636     81.754   62.750     62.768   20.834  8.9604  23.428  8.5249  -2.594095      12.36784 
1 1 1 -9  23  39 o 33.784  7.4918  151.963    59.803   241.979    89.772   80.146     80.185   42.156  9.0472  26.206  9.6202  15.94984       13.20606 
1 1 1 -9  23  40 o 28.861  8.4618  111.587    63.097   113.387    83.822   109.232    95.847   29.428  9.9133  29.482  10.560  -0.5401802E-01 14.48429 
1 1 1 -9  23  41 o 35.837  8.0052  172.702    67.852   146.133    89.645   208.341    103.825  32.603  10.200  38.346  10.734  -5.743542      14.80784 
1 1 1 -9  23  42 o 45.537  9.0781  283.853    96.787   269.233    104.454  372.627    257.382  43.797  10.043  46.790  17.227  -2.992718      19.94043 
1 1 1 -9  24  1  o 161.760 4.3674  3180.92    171.417  3267.56    240.680  3091.72    244.200  163.797 6.0558  159.301 6.3177  4.495483       8.751376 
1 1 1 -9  24  2  o 70.980  3.7936  613.912    65.100   680.630    93.440   550.982    90.749   74.615  5.1934  67.044  5.6306  7.571152       7.659988 
1 1 1 -9  24  3  o 261.411 5.8713  8320.92    372.409  8358.19    524.278  8282.96    529.085  261.529 8.2619  260.323 8.3762  1.205902       11.76521 
1 1 1 -9  24  4  o 291.011 6.3992  10319.42   451.856  10324.22   636.876  10314.56   641.187  290.449 9.0369  290.295 9.1029  0.1544189      12.82692 
1 1 1 -9  24  5  f 287.839 6.4200  10096.41   448.384  10206.87   632.178  9984.58    636.062  288.784 9.0220  285.578 9.1793  3.205780       12.87076 
1 1 1 -9  24  6  o 153.001 4.2854  2845.75    159.092  2855.92    224.494  2835.49    225.489  153.121 6.0423  152.568 6.0911  0.5536041      8.579739 
1 1 1 -9  24  7  o 143.773 5.1366  2515.20    179.193  2484.43    329.596  2528.12    213.504  142.051 9.6192  144.054 6.1082  -2.002457      11.39472 
1 1 1 -9  24  8  o 57.923  6.6549  414.414    91.833   370.487    151.305  440.033    115.550  53.802  11.905  59.443  8.2324  -5.640820      14.47444 
1 1 1 -9  24  9  o 115.949 5.8894  1641.94    165.148  1606.17    260.182  1666.07    213.722  114.073 9.4861  116.546 7.5993  -2.472809      12.15459 
1 1 1 -9  24  10 o 222.845 7.6713  6068.54    414.795  5532.19    613.526  6520.10    562.949  211.343 12.014  230.387 10.070  -19.04446      15.67621 
1 1 1 -9  24  11 o 162.467 6.4501  3219.65    254.270  3181.92    389.465  3247.68    335.684  160.597 10.045  162.627 8.5368  -2.030273      13.18259 
1 1 1 -9  24  12 o 198.396 5.6436  4796.34    271.675  4731.90    337.989  4913.98    456.670  196.811 7.0777  200.034 9.4088  -3.222977      11.77365 
1 1 1 -9  24  13 o 216.096 5.2542  5688.81    275.498  5536.30    388.329  5843.36    390.910  212.720 7.5236  218.577 7.3707  -5.856430      10.53243 
1 1 1 -9  24  14 o 87.684  4.0393  935.275    85.939   877.973    119.945  995.719    123.190  84.629  5.8777  90.182  5.6585  -5.553635      8.158749 
1 1 1 -9  24  15 o 138.810 4.3797  2345.91    147.511  2392.09    208.193  2299.34    209.034  139.932 6.1317  137.169 6.2805  2.762955       8.777429 
1 1 1 -9  24  16 o 173.800 4.7604  3682.19    200.750  3779.43    283.678  3584.65    284.129  175.682 6.6548  171.049 6.8459  4.633194       9.547418 
1 1 1 -9  24  17 o 54.577  4.7284  365.999    61.998   359.384    85.372   373.382    90.184   53.737  6.6926  54.738  6.9465  -1.000824      9.645934 
1 1 1 -9  24  18 o 109.937 4.1671  1473.30    111.159  1393.05    155.315  1557.57    159.160  106.458 6.0375  112.633 5.8438  -6.174561      8.402526 
1 1 1 -9  24  19 o 89.370  4.1640  974.236    90.295   1014.07    126.140  932.377    129.312  90.780  5.7564  86.940  6.1700  3.840607       8.438322 
1 1 1 -9  24  20 o 26.465  7.3814  89.127     49.190   64.993     68.318   115.107    70.882   24.732  8.9097  30.160  9.0012  -5.427658      12.66510 
1 1 1 -9  24  21 o 34.732  6.2902  153.009    51.058   99.439     69.862   214.427    74.804   28.363  9.0219  40.911  7.8207  -12.54784      11.93976 
1 1 1 -9  24  22 o 34.147  6.3229  148.283    50.458   117.262    70.995   179.948    71.729   30.307  9.0000  37.293  8.1542  -6.986048      12.14464 
1 1 1 -9  24  23 o 100.165 4.2942  1227.83    104.367  1232.53    148.440  1223.24    146.768  99.721  6.1650  99.359  6.1175  0.3617096      8.685150 
1 1 1 -9  24  24 o 21.716  8.0507  47.069     56.394   72.227     64.340   -36.3307   117.146  25.027  8.6785  23.047  10.287  1.979940       13.45901 
1 1 1 -9  24  25 o 86.518  7.1039  938.333    147.815  938.333    147.815  0.0000     0.0000   86.518  7.1039  ?       ?       0.000000       7.103935 
1 1 1 -9  24  26 o 20.966  8.3742  30.386     64.327   30.386     64.327   0.0000     0.0000   20.966  8.3742  ?       ?       0.000000       8.374235 
1 1 1 -9  24  27 o 44.439  7.3222  252.896    76.202   207.422    85.667   425.265    166.786  39.671  9.0940  55.729  12.627  -16.05839      15.56059 
1 1 1 -9  24  28 o 48.956  6.1822  301.959    71.799   350.884    108.486  263.826    95.776   51.883  8.9404  44.777  9.1250  7.106026       12.77484 
1 1 1 -9  24  29 o 27.328  8.0687  96.327     57.192   199.421    98.491   43.879     70.250   38.520  10.327  22.679  8.8448  15.84111       13.59674 
1 1 1 -9  24  30 o 42.395  6.1732  228.296    61.639   231.024    94.675   226.290    81.208   41.532  9.5889  41.500  8.3538  0.3194809E-01  12.71743 
1 1 1 -9  24  31 o 37.765  6.5988  183.619    58.265   199.156    92.521   173.407    75.007   38.356  9.8806  36.075  8.6754  2.280872       13.14876 
1 1 1 -9  24  32 o 41.488  8.0015  226.627    77.629   80.330     228.738  245.671    82.527   35.230  15.065  43.168  8.1784  -7.937351      17.14205 
1 1 1 -9  24  33 o 18.909  7.9762  10.551     62.637   187.771    192.399  -10.4598   66.246   38.315  14.721  17.933  7.8831  20.38203       16.69872 
1 1 1 -9  24  34 o 30.728  8.9442  127.016    70.724   0.0000     0.0000   127.016    70.724   ?       ?       30.728  8.9442  0.000000       8.944225 
1 1 1 -9  24  35 o 18.621  7.2482  30.276     47.109   -3.2024    78.401   49.194     58.935   19.839  8.6519  21.773  8.1987  -1.934317      11.91952 
1 1 1 -9  24  36 o 48.308  6.1122  298.916    70.042   195.927    104.754  382.189    94.194   37.212  10.901  54.112  7.3654  -16.90052      13.15591 
1 1 1 -9  24  37 o 12.580  5.9238  -47.0361   46.658   29.456     82.507   -82.9983   56.572   22.355  9.2716  12.668  6.1143  9.686205       11.10618 
1 1 1 -9  24  38 o 46.156  5.9888  272.703    65.490   250.802    96.142   291.662    89.454   42.652  9.5300  46.773  8.1800  -4.120972      12.55915 
1 1 1 -9  24  39 o 102.340 4.9383  1305.26    122.627  1333.01    169.041  1274.42    178.160  101.972 6.8721  99.231  7.4539  2.740715       10.13831 
1 1 1 -9  24  40 o 97.263  4.9143  1182.44    115.601  965.270    156.299  1444.70    171.760  86.140  7.5543  106.229 6.6980  -20.08896      10.09608 
1 1 1 -9  24  41 o 19.865  8.5052  8.9129     73.068   51.122     76.821   -391.6815  236.664  23.351  9.2066  23.286  11.502  0.6415558E-01  14.73252 
1 1 1 -9  25  1  o 101.668 3.9003  1256.11    96.215   1246.81    134.417  1265.88    137.783  101.059 5.5024  101.820 5.5984  -0.7613983     7.849795 
1 1 1 -9  25  2  o 86.043  3.9319  899.712    82.087   888.002    113.640  912.488    118.704  85.233  5.5246  86.385  5.6952  -1.151642      7.934504 
1 1 1 -9  25  3  o 230.391 5.4809  6461.34    306.396  6410.20    431.080  6513.56    435.574  229.094 7.7550  230.930 7.7735  -1.835770      10.98031 
1 1 1 -9  25  4  o 191.043 4.7814  4439.34    221.639  4374.44    311.521  4505.87    315.404  189.394 6.7789  192.221 6.7624  -2.826447      9.575154 
1 1 1 -9  25  5  o 44.417  7.1804  246.804    74.746   82.405     132.294  323.894    90.591   31.647  12.194  50.961  7.5552  -19.31375      14.34504 
1 1 1 -9  25  6  f 235.979 7.7929  6804.20    446.205  6750.79    654.990  6850.45    609.519  234.062 11.533  236.055 10.642  -1.992233      15.69248 
1 1 1 -9  25  7  o 90.534  5.6407  1002.05    123.296  1008.90    201.044  997.925    156.097  90.254  9.3143  90.130  7.1978  0.1240845      11.77134 
1 1 1 -9  25  8  o 44.387  7.7949  247.793    80.889   139.367    138.302  304.168    99.725   35.869  12.703  49.131  8.6830  -13.26159      15.38673 
1 1 1 -9  25  9  o 152.313 6.3144  2829.29    233.363  2489.95    356.608  3083.45    308.621  141.883 10.432  158.551 8.0486  -16.66730      13.17567 
1 1 1 -9  25  10 o 289.789 9.1655  10307.16   644.467  9990.42    939.610  10588.54   885.614  283.307 13.669  292.277 12.488  -8.969604      18.51423 
1 1 1 -9  25  11 o 197.485 4.9883  4749.07    239.030  4747.47    336.790  4750.69    339.303  197.091 7.0425  197.147 7.0931  -0.5653381E-01 9.995421 
1 1 1 -9  25  12 o 69.573  4.1662  590.976    70.006   597.518    96.912   583.836    101.237  69.756  5.7778  68.896  6.1196  0.8596268      8.416195 
1 1 1 -9  25  13 o 76.097  4.1536  706.773    76.403   739.416    106.757  672.500    109.391  77.637  5.7071  73.953  6.1521  3.684677       8.391637 
1 1 1 -9  25  14 o 87.088  4.0962  923.241    86.556   835.083    120.322  1017.79    124.608  82.444  6.0572  91.126  5.6636  -8.682632      8.292562 
1 1 1 -9  25  15 o 108.311 4.1190  1428.75    108.249  1436.67    152.192  1420.64    153.999  108.250 5.8156  107.623 5.9200  0.6275711      8.298671 
1 1 1 -9  25  16 o 138.382 4.3662  2334.72    146.603  2376.04    205.873  2292.21    208.815  139.277 6.0919  136.754 6.2930  2.522766       8.758628 
1 1 1 -9  25  17 o 117.744 4.1890  1690.65    119.678  1713.06    168.115  1667.63    170.408  118.231 5.8602  116.463 6.0512  1.768639       8.423677 
1 1 1 -9  25  18 o 64.039  4.4339  503.132    68.473   456.863    94.809   553.580    98.997   60.596  6.5525  66.854  6.1725  -6.257362      9.001992 
1 1 1 -9  25  19 o 91.265  4.1903  1017.13    92.791   952.577    128.440  1087.61    134.204  87.808  6.0656  93.891  5.9212  -6.082840      8.476528 
1 1 1 -9  25  20 o 67.585  4.4282  560.992    72.216   543.811    100.026  579.697    104.369  66.121  6.3113  68.270  6.3743  -2.148621      8.970158 
1 1 1 -9  25  21 o 68.628  4.4066  578.763    72.991   644.685    102.164  510.032    104.319  72.100  5.8913  63.820  6.8435  8.280304       9.029981 
1 1 1 -9  25  22 o 80.872  4.2764  802.813    83.617   828.414    118.427  777.363    118.078  81.697  6.0166  79.070  6.2043  2.627396       8.642487 
1 1 1 -9  25  23 o 36.307  7.3408  169.967    62.446   124.660    71.053   323.719    130.891  31.021  8.9465  49.169  11.219  -18.14773      14.34938 
1 1 1 -9  25  24 o 147.154 8.3267  2735.61    296.092  2735.61    296.092  0.0000     0.0000   147.154 8.3267  ?       ?       0.000000       8.326724 
1 1 1 -9  25  25 o 70.510  7.3091  627.647    123.231  627.647    123.231  0.0000     0.0000   70.510  7.3091  ?       ?       0.000000       7.309112 
1 1 1 -9  25  26 o 87.838  6.0660  961.032    128.494  951.790    152.041  984.135    240.372  86.923  7.2758  85.911  11.846  1.012093       13.90220 
1 1 1 -9  25  27 o 87.537  5.0676  947.904    107.175  977.109    146.943  914.708    156.661  88.155  6.9254  84.934  7.6850  3.220863       10.34507 
1 1 1 -9  25  28 o 41.694  6.5675  221.901    64.244   286.691    106.220  184.530    80.671   46.368  9.7505  37.271  9.0181  9.096531       13.28153 
1 1 1 -9  25  29 o 51.294  5.6416  330.415    69.056   338.581    111.848  325.384    87.786   50.481  9.4794  50.296  7.4159  0.1854668      12.03556 
1 1 1 -9  25  30 o 56.932  5.1728  404.877    70.677   402.624    102.818  406.896    97.314   55.779  7.8111  56.298  7.2955  -0.5185928     10.68821 
1 1 1 -9  25  31 o 15.339  7.0523  -39.7033   60.202   281.955    227.302  -63.9695   62.432   44.178  16.200  14.489  6.8317  29.68866       17.58177 
1 1 1 -9  25  32 o 21.743  8.2337  47.420     59.644   -125.2665  202.672  63.794     62.407   26.727  12.509  23.617  8.5146  3.109930       15.13183 
1 1 1 -9  25  33 o 43.761  9.0915  259.676    93.381   0.0000     0.0000   259.676    93.381   ?       ?       43.761  9.0915  0.000000       9.091507 
1 1 1 -9  25  34 o 9.8453  4.8954  -110.1487  45.652   17.341     94.045   -149.4520  52.217   22.725  9.6874  9.8889  4.9641  12.83605       10.88519 
1 1 1 -9  25  35 o 10.712  5.1915  -66.7088   41.812   20.974     80.907   -98.6589   48.839   21.598  9.0853  10.775  5.3036  10.82233       10.52003 
1 1 1 -9  25  36 o 35.171  7.4358  164.835    61.472   139.852    96.890   181.667    79.529   32.040  10.657  36.339  9.0530  -4.299210      13.98312 
1 1 1 -9  25  37 o 31.645  7.6380  134.379    57.978   167.861    89.017   109.712    76.407   34.695  10.016  28.781  9.4584  5.913219       13.77617 
1 1 1 -9  25  38 o 88.720  5.4310  990.589    116.350  907.798    151.071  1111.29    182.410  83.547  7.5332  91.879  8.2708  -8.331787      11.18728 
1 1 1 -9  25  39 o 44.715  7.1078  262.178    74.536   309.161    101.699  207.654    109.558  47.571  9.1427  38.033  11.150  9.538879       14.41916 
1 1 1 -9  25  40 o 23.950  9.3813  56.525     79.293   82.580     83.988   -157.1781  240.530  26.421  9.8189  27.680  13.157  -1.258978      16.41681 
1 1 1 -9  25  41 o 29.656  9.8909  120.177    83.440   134.235    88.547   8.7397     249.305  31.059  10.181  31.845  14.532  -0.7858162     17.74373 
1 1 1 -9  26  1  o 100.226 3.8970  1220.84    94.771   1061.17    132.275  1389.26    135.850  93.155  5.8823  106.840 5.2403  -13.68574      7.877954 
1 1 1 -9  26  2  f 103.160 4.0030  1293.51    100.197  1230.77    140.099  1359.21    143.358  100.360 5.7776  105.503 5.6203  -5.142555      8.060321 
1 1 1 -9  26  3  o 224.753 7.6076  6170.68    414.876  5795.63    608.455  6496.54    567.165  216.531 11.623  229.993 10.163  -13.46187      15.44006 
1 1 1 -9  26  4  f 316.919 9.6739  12324.00   743.903  12404.60   1075.03  12249.94   1030.46  316.001 14.021  314.286 13.513  1.714600       19.47234 
1 1 1 -9  26  5  o 151.493 6.1839  2797.60    227.308  2607.93    345.200  2942.81    302.032  145.418 9.8413  154.912 8.0632  -9.494492      12.72269 
1 1 1 -9  26  6  o 71.266  5.8641  623.036    100.503  638.287    168.985  614.689    125.018  71.402  10.030  70.550  7.4140  0.8518143      12.47303 
1 1 1 -9  26  7  o 184.495 6.7713  4154.98    303.122  4136.66    456.498  4169.43    405.397  183.070 10.319  184.369 9.0621  -1.299011      13.73316 
1 1 1 -9  26  8  o 258.342 8.4769  8179.17    531.370  7579.13    779.000  8701.29    726.668  246.670 13.062  265.434 11.283  -18.76430      17.26021 
1 1 1 -9  26  9  o 120.814 4.1476  1775.36    121.585  1734.40    171.309  1816.94    172.591  119.253 5.9203  122.067 5.8271  -2.814423      8.306980 
1 1 1 -9  26  10 o 111.714 4.0496  1518.09    109.769  1481.33    154.237  1555.82    156.258  110.051 5.7965  112.802 5.7278  -2.751007      8.149048 
1 1 1 -9  26  11 o 106.335 4.0532  1375.76    104.576  1404.70    146.763  1345.90    149.051  107.154 5.6649  104.846 5.8827  2.307953       8.166838 
1 1 1 -9  26  12 o 85.865  4.0838  897.383    85.082   858.529    118.938  938.103    121.761  83.634  5.8988  87.463  5.7699  -3.828903      8.251530 
1 1 1 -9  26  13 o 67.470  4.3173  556.782    70.308   513.057    98.094   602.972    100.821  64.439  6.3566  69.970  5.9964  -5.531609      8.738641 
1 1 1 -9  26  14 o 54.679  4.6232  367.217    60.763   385.086    83.337   346.936    88.786   55.725  6.2725  52.683  7.1287  3.042168       9.495375 
1 1 1 -9  26  15 o 53.501  4.6458  351.961    59.711   414.444    81.709   280.349    87.475   57.872  5.9014  47.041  7.9469  10.83163       9.898484 
1 1 1 -9  26  16 f 25.362  7.0504  81.614     44.954   67.506     61.988   97.266     65.291   24.519  8.5174  28.009  8.6958  -3.490585      12.17225 
1 1 1 -9  26  17 f 64.500  4.4187  510.572    68.737   490.425    94.516   533.191    100.147  62.839  6.2831  65.523  6.3800  -2.684464      8.954465 
1 1 1 -9  26  18 o 69.484  4.3577  592.431    73.098   503.844    99.000   698.621    108.390  63.595  6.5074  75.120  5.9966  -11.52460      8.849032 
1 1 1 -9  26  19 o 87.925  4.1873  945.126    89.333   982.587    123.986  904.684    128.824  89.170  5.7613  85.405  6.2602  3.764961       8.507821 
1 1 1 -9  26  20 o 64.485  4.9128  513.185    76.290   533.183    113.752  496.836    102.851  65.081  7.3312  62.945  6.8445  2.135883       10.02961 
1 1 1 -9  26  21 o 21.988  7.1726  58.367     43.969   4.9933     57.787   131.752    67.759   18.057  7.6413  31.809  8.5813  -13.75277      11.49038 
1 1 1 -9  26  22 o 120.630 6.0993  1805.82    177.947  1897.06    223.938  1649.51    293.109  122.928 7.5443  112.587 10.864  10.34113       13.22684 
1 1 1 -9  26  23 o 67.242  6.2972  565.587    101.545  552.774    118.917  600.084    195.127  66.038  7.5575  66.542  12.545  -0.5042648     14.64586 
1 1 1 -9  26  24 o 39.186  9.0006  202.430    83.777   202.430    83.777   0.0000     0.0000   39.186  9.0006  ?       ?       0.000000       9.000624 
1 1 1 -9  26  25 o 90.311  6.1417  1017.17    133.785  1017.17    133.785  0.0000     0.0000   90.311  6.1417  ?       ?       0.000000       6.141717 
1 1 1 -9  26  26 o 102.598 5.0307  1298.53    125.235  1436.34    165.609  1114.46    191.394  107.185 6.3969  93.270  8.5524  13.91512       10.68005 
1 1 1 -9  26  27 o 127.834 4.6457  2013.11    144.098  2119.71    204.372  1907.72    203.204  130.252 6.4665  123.196 6.8245  7.055656       9.401586 
1 1 1 -9  26  28 o 63.821  5.1822  507.544    79.556   615.258    120.005  423.087    106.262  69.492  7.2225  57.244  7.8577  12.24797       10.67276 
1 1 1 -9  26  29 o 40.747  7.9247  218.341    75.529   -16.0858   196.051  259.198    81.846   29.872  13.323  44.508  7.8665  -14.63621      15.47196 
1 1 1 -9  26  30 o 67.097  6.7097  573.677    107.773  665.000    225.742  546.718    122.653  67.171  14.290  64.868  7.9596  2.303238       16.35702 
1 1 1 -9  26  31 o 16.128  7.2608  -23.8498   59.733   258.392    187.988  -55.5466   62.998   42.010  14.817  14.927  6.9825  27.08315       16.37976 
1 1 1 -9  26  32 o 42.923  8.6900  248.537    87.401   0.0000     0.0000   248.537    87.401   ?       ?       42.923  8.6900  0.000000       8.690025 
1 1 1 -9  26  33 o 43.900  8.3158  258.720    85.337   0.0000     0.0000   258.720    85.337   ?       ?       43.900  8.3158  0.000000       8.315798 
1 1 1 -9  26  34 o 45.094  6.3309  262.609    67.362   330.687    103.162  212.008    88.939   49.357  8.9434  39.078  9.4774  10.27894       13.03094 
1 1 1 -9  26  35 o 8.6115  4.1076  -30.7560   23.873   -231.9041  77.633   -9.7488    25.088   11.761  5.9229  10.622  4.7497  1.139004       7.592155 
1 1 1 -9  26  36 o 25.744  7.5599  87.863     50.328   69.861     88.559   96.451     61.164   25.758  9.9625  26.967  8.4238  -1.208361      13.04656 
1 1 1 -9  26  37 o 44.337  7.5493  260.158    78.305   184.403    102.731  365.200    120.971  36.042  10.854  51.220  10.093  -15.17785      14.82165 
1 1 1 -9  26  38 o 70.898  5.7170  637.727    97.511   619.829    127.061  663.372    152.095  68.656  7.7638  70.027  9.1718  -1.371498      12.01653 
1 1 1 -9  26  39 o 28.649  9.9688  107.794    84.929   141.844    91.148   -116.5178  233.946  31.927  10.321  28.128  13.251  3.799526       16.79600 
1 1 1 -9  26  40 o 44.970  9.1822  281.776    96.802   338.882    103.841  -97.1519   267.487  49.568  8.9638  29.950  14.127  19.61772       16.73117 
1 1 1 -9  27  1  o 23.811  8.7464  55.307     66.295   -10.5502   118.412  85.374     80.010   24.946  10.756  27.842  9.6765  -2.896114      14.46827 
1 1 1 -9  27  2  o 29.037  8.9243  103.297    68.964   119.607    117.107  94.637     85.330   33.175  11.695  29.067  9.9992  4.107382       15.38705 
1 1 1 -9  27  3  o 210.563 7.3079  5416.23    373.369  5129.24    549.583  5662.22    508.818  203.687 11.163  214.712 9.7666  -11.02541      14.83201 
1 1 1 -9  27  4  o 174.290 6.5353  3706.39    276.376  3815.62    413.435  3618.15    371.613  175.977 9.7202  171.549 8.9588  4.428116       13.21896 
1 1 1 -9  27  5  o 67.812  6.0767  565.177    98.926   422.747    171.034  636.781    121.269  57.323  12.637  71.864  7.0453  -14.54068      14.46814 
1 1 1 -9  27  6  o 99.634  4.3906  1207.70    106.143  1162.71    133.604  1284.71    174.775  97.506  5.6716  102.293 7.0852  -4.786728      9.075589 
1 1 1 -9  27  7  o 133.738 4.2067  2175.79    136.507  2116.94    191.385  2236.73    194.759  131.734 5.9875  135.417 5.9273  -3.683365      8.425172 
1 1 1 -9  27  8  o 198.755 5.0390  4812.50    243.012  4777.73    342.495  4847.75    344.860  197.624 7.1425  199.067 7.1397  -1.443481      10.09905 
1 1 1 -9  27  9  o 141.419 4.3288  2434.36    148.538  2426.06    209.768  2442.70    210.362  140.943 6.1338  141.426 6.1302  -0.4830780     8.671966 
1 1 1 -9  27  10 o 59.207  4.3577  429.145    62.163   529.969    87.408   325.964    88.423   65.669  5.5373  51.061  7.3487  14.60780       9.201366 
1 1 1 -9  27  11 o 9.6576  4.7177  -68.7652   36.445   -10.3673   46.770   -159.0396  58.150   15.221  6.6590  10.743  5.3702  4.478618       8.554631 
1 1 1 -9  27  12 o 80.913  4.1100  799.567    80.425   801.076    110.972  797.898    116.722  80.743  5.7009  80.524  6.0175  0.2190475      8.289142 
1 1 1 -9  27  13 o 58.955  4.4021  426.226    62.516   401.222    86.605   453.430    90.336   56.845  6.3896  60.502  6.2433  -3.656414      8.933461 
1 1 1 -9  27  14 o 42.741  5.1386  226.557    52.222   216.533    69.917   239.207    78.539   41.340  7.2338  43.386  7.7447  -2.046150      10.59753 
1 1 1 -9  27  15 o 115.209 4.1709  1619.95    116.594  1578.42    162.892  1663.59    166.962  113.222 5.9502  116.248 5.9391  -3.025269      8.406992 
1 1 1 -9  27  16 o 151.518 4.5642  2807.56    167.801  2779.28    236.769  2836.10    237.848  150.141 6.4992  151.681 6.4626  -1.540558      9.165399 
1 1 1 -9  27  17 o 54.958  4.6479  372.372    61.399   364.817    86.047   380.209    87.638   53.929  6.7218  55.077  6.6955  -1.148567      9.487492 
1 1 1 -9  27  18 f 24.419  7.1176  75.555     44.759   59.819     58.624   97.549     69.307   23.303  8.2683  28.055  8.9926  -4.752239      12.21603 
1 1 1 -9  27  19 o 88.095  4.2351  950.104    90.528   977.859    124.780  919.260    131.540  88.838  5.8209  85.951  6.3523  2.886337       8.615924 
1 1 1 -9  27  20 o 97.444  4.2515  1163.29    100.522  1127.43    140.302  1201.12    144.091  95.258  6.1023  98.345  6.0680  -3.087715      8.605721 
1 1 1 -9  27  21 f 116.008 6.1297  1672.26    171.926  1563.99    210.993  1886.20    296.587  111.333 7.8610  120.766 10.217  -9.432686      12.89145 
1 1 1 -9  27  22 o 83.412  6.1596  867.600    123.784  923.343    146.487  728.405    231.482  85.686  7.1100  72.706  13.622  12.97951       15.36596 
1 1 1 -9  27  23 o 74.004  7.3558  692.740    130.333  692.740    130.333  0.0000     0.0000   74.004  7.3558  ?       ?       0.000000       7.355792 
1 1 1 -9  27  24 o 71.319  6.3164  637.671    108.174  637.671    108.174  0.0000     0.0000   71.319  6.3164  ?       ?       0.000000       6.316397 
1 1 1 -9  27  25 o 59.425  5.2478  439.785    74.890   485.111    104.603  392.120    107.269  61.800  7.1050  55.033  8.2903  6.766846       10.91835 
1 1 1 -9  27  26 o 64.665  5.0469  519.881    78.562   592.528    118.110  462.236    105.212  68.227  7.2455  60.130  7.3651  8.096149       10.33163 
1 1 1 -9  27  27 o 72.893  4.9004  659.931    86.168   664.515    127.926  656.125    116.583  72.091  7.4193  71.940  6.7580  0.1501617      10.03575 
1 1 1 -9  27  28 o 44.152  7.4756  253.922    77.229   12.060     185.751  304.468    84.916   30.119  13.221  48.441  7.4643  -18.32268      15.18265 
1 1 1 -9  27  29 o 45.004  7.9760  266.966    83.908   207.453    202.235  279.341    92.220   39.507  15.113  45.773  8.6196  -6.266148      17.39823 
1 1 1 -9  27  30 o 28.497  8.6369  107.882    64.891   2.1868     194.866  121.064    68.819   29.918  13.318  30.027  8.8467  -0.1087704     15.98826 
1 1 1 -9  27  31 o 22.037  8.5574  45.951     65.543   0.0000     0.0000   45.951     65.543   ?       ?       22.037  8.5574  0.000000       8.557420 
1 1 1 -9  27  32 o 59.817  7.4827  468.343    106.228  0.0000     0.0000   468.343    106.228  ?       ?       59.817  7.4827  0.000000       7.482716 
1 1 1 -9  27  33 o 20.069  7.7620  38.019     53.757   157.513    91.392   -25.1940   66.472   33.545  10.267  16.920  7.6347  16.62469       12.79482 
1 1 1 -9  27  34 o 54.323  5.8543  376.870    75.947   524.646    113.098  255.505    102.494  63.241  7.5176  42.571  10.079  20.67076       12.57351 
1 1 1 -9  27  35 o 48.433  6.1191  301.638    70.307   429.359    106.811  203.993    93.392   56.904  7.9533  38.039  9.9901  18.86437       12.76933 
1 1 1 -9  27  36 o 66.644  5.7504  564.220    92.077   488.303    121.544  666.467    141.055  60.378  8.5343  70.780  8.3757  -10.40226      11.95770 
1 1 1 -9  27  37 o 50.504  6.8899  332.762    82.228   337.333    106.974  326.162    128.553  49.555  9.2365  47.370  11.336  2.185093       14.62243 
1 1 1 -9  27  38 o 36.461  10.510  191.192    98.078   204.161    105.589  109.639    264.780  37.479  10.934  35.590  15.698  1.888908       19.13098 
1 1 1 -9  27  39 o 56.876  8.6626  441.834    115.772  451.019    126.364  393.836    288.877  56.864  9.4931  45.555  17.888  11.30894       20.25049 
1 1 1 -9  28  1  o 180.548 6.7065  3978.93    293.801  3755.01    436.846  4163.87    397.000  174.365 10.372  184.276 8.8789  -9.911179      13.65345 
1 1 1 -9  28  2  o 134.827 5.9759  2216.41    195.498  2209.69    299.225  2221.41    258.233  133.848 9.2706  134.494 7.9484  -0.6461334     12.21149 
1 1 1 -9  28  3  o 242.506 8.0901  7202.29    476.039  6564.71    695.307  7764.84    653.112  229.707 12.522  250.908 10.728  -21.20041      16.48910 
1 1 1 -9  28  4  o 236.427 5.4568  6812.00    313.041  6595.70    439.556  7034.61    445.927  232.101 7.8050  239.738 7.6659  -7.636673      10.94003 
1 1 1 -9  28  5  o 50.932  4.6702  318.427    57.072   364.504    77.051   262.417    84.951   54.343  5.9402  45.636  7.9613  8.707020       9.933190 
1 1 1 -9  28  6  o 74.588  4.0674  678.827    73.333   641.744    101.719  718.961    105.821  72.290  5.8493  76.558  5.7383  -4.268280      8.194054 
1 1 1 -9  28  7  o 55.847  4.4354  382.098    59.608   298.744    83.830   467.340    84.775   48.868  7.2931  61.621  5.7358  -12.75247      9.278384 
1 1 1 -9  28  8  o 128.275 4.2237  2003.25    131.461  1968.79    185.020  2038.39    186.821  126.940 6.0070  129.171 5.9607  -2.231560      8.462473 
1 1 1 -9  28  9  o 49.140  4.7585  297.115    56.026   248.286    77.231   351.359    81.401   44.394  7.4325  53.199  6.4370  -8.805775      9.832476 
1 1 1 -9  28  10 o 207.672 5.1581  5265.94    259.917  5332.59    366.479  5198.49    368.687  208.333 7.2498  205.646 7.3888  2.686157       10.35153 
1 1 1 -9  28  11 o 43.304  5.1342  232.271    52.896   286.257    73.635   174.708    76.035   47.878  6.5071  36.858  8.6505  11.02024       10.82463 
1 1 1 -9  28  12 o 28.820  6.6376  106.120    45.459   112.034    63.357   99.845     65.262   29.679  8.4125  28.316  8.6779  1.363298       12.08620 
1 1 1 -9  28  13 o 139.389 4.3228  2372.04    146.204  2331.55    205.171  2413.82    208.394  137.757 6.1382  140.169 6.1273  -2.412445      8.673020 
1 1 1 -9  28  14 o 40.676  5.4396  206.430    52.342   144.513    72.580   273.527    75.555   33.428  8.8203  46.594  6.8908  -13.16573      11.19286 
1 1 1 -9  28  15 o 123.928 4.2853  1877.51    128.860  1868.35    180.590  1887.01    183.926  123.165 6.0429  123.753 6.1253  -0.5879135     8.604370 
1 1 1 -9  28  16 o 43.370  5.1561  234.097    53.197   248.680    72.981   217.565    77.703   44.270  7.0291  41.076  8.0842  3.194202       10.71270 
1 1 1 -9  28  17 f 14.519  6.2409  -2.1167    39.622   -4.8455    53.505   1.1966     58.958   16.664  7.2077  17.948  7.6610  -1.283833      10.51862 
1 1 1 -9  28  18 o 87.893  4.1978  946.088    89.523   971.035    124.094  919.016    129.275  88.485  5.8122  85.928  6.2430  2.557045       8.529743 
1 1 1 -9  28  19 o 46.975  7.3550  281.926    81.082   239.954    92.667   419.016    167.473  42.704  9.2137  55.299  12.743  -12.59512      15.72518 
1 1 1 -9  28  20 o 38.444  9.0714  195.151    83.254   195.151    83.254   0.0000     0.0000   38.444  9.0714  ?       ?       0.000000       9.071425 
1 1 1 -9  28  21 o 29.099  8.9548  108.619    69.410   101.538    75.281   148.787    179.291  28.551  9.3887  36.919  14.204  -8.368063      17.02677 
1 1 1 -9  28  22 o 68.526  7.4795  596.502    122.344  596.502    122.344  0.0000     0.0000   68.526  7.4795  ?       ?       0.000000       7.479496 
1 1 1 -9  28  23 o 58.652  7.4386  439.111    103.483  439.111    103.483  0.0000     0.0000   58.652  7.4386  ?       ?       0.000000       7.438618 
1 1 1 -9  28  24 o 96.963  4.8218  1159.87    113.444  1163.36    148.924  1155.05    175.105  96.305  6.4097  95.312  7.6357  0.9932938      9.969353 
1 1 1 -9  28  25 o 87.362  4.5895  943.597    96.945   979.177    136.507  907.391    137.702  88.220  6.4212  84.748  6.7525  3.471298       9.318169 
1 1 1 -9  28  26 o 56.920  5.2392  405.347    71.546   443.003    108.520  376.395    95.155   58.484  7.8451  54.005  7.4609  4.479187       10.82635 
1 1 1 -9  28  27 o 81.586  6.4477  843.031    126.600  599.768    244.113  932.530    148.068  62.171  16.066  85.388  7.2141  -23.21681      17.61174 
1 1 1 -9  28  28 o 43.743  7.6121  251.366    77.859   62.700     188.454  290.197    85.497   31.972  13.673  47.003  7.7679  -15.03017      15.72585 
1 1 1 -9  28  29 o 15.042  6.7283  -17.2448   50.391   -169.9470  179.741  -4.2190    52.496   23.642  11.276  16.301  7.0951  7.341026       13.32214 
1 1 1 -9  28  30 o 22.357  8.3994  53.246     61.789   0.0000     0.0000   53.246     61.789   ?       ?       22.357  8.3994  0.000000       8.399445 
1 1 1 -9  28  31 o 39.985  8.6418  218.226    81.397   0.0000     0.0000   218.226    81.397   ?       ?       39.985  8.6418  0.000000       8.641773 
1 1 1 -9  28  32 o 29.916  7.6674  120.867    55.913   133.525    90.269   112.988    71.221   31.198  10.282  28.898  9.1003  2.299913       13.73085 
1 1 1 -9  28  33 o 66.943  5.3316  566.547    85.884   712.741    125.683  438.477    117.634  74.041  7.0822  56.901  8.8046  17.14053       11.29945 
1 1 1 -9  28  34 o 48.882  6.3200  308.741    73.205   299.846    108.643  316.138    99.073   46.199  9.9832  48.180  8.7990  -1.980721      13.30737 
1 1 1 -9  28  35 o 19.609  8.2599  15.608     67.019   23.685     87.005   3.8229     105.095  22.272  9.3979  22.845  9.9884  -0.5730915     13.71458 
1 1 1 -9  28  36 o 46.096  7.3569  281.220    79.518   251.874    103.847  322.815    123.635  42.029  10.270  47.245  10.992  -5.216579      15.04332 
1 1 1 -9  28  37 o 40.817  10.372  240.166    102.938  275.921    111.004  20.603     275.073  43.678  10.585  33.209  15.197  10.46968       18.51962 
1 1 1 -9  28  38 o 50.593  9.3604  358.602    110.674  350.128    120.146  406.081    284.383  49.230  10.385  45.810  17.815  3.420792       20.62087 
1 1 1 -9  29  1  o 98.468  4.0058  1179.20    95.708   991.320    132.021  1387.32    138.948  89.938  6.0855  106.565 5.3913  -16.62685      8.130158 
1 1 1 -9  29  2  o 104.164 4.0446  1319.77    102.226  1296.42    142.422  1344.58    146.818  102.949 5.7242  104.839 5.7940  -1.890182      8.144749 
1 1 1 -9  29  3  o 73.103  4.1545  652.287    73.387   684.641    101.287  616.533    106.477  74.717  5.6283  70.785  6.2641  3.931496       8.421184 
1 1 1 -9  29  4  o 74.765  4.1175  682.215    74.407   690.817    103.027  672.837    107.573  75.033  5.7016  73.992  6.0446  1.040527       8.309351 
1 1 1 -9  29  5  o 172.132 5.3084  3613.64    221.714  3454.45    365.214  3706.55    279.010  167.235 9.0338  174.080 6.6055  -6.845474      11.19118 
1 1 1 -9  29  6  o 39.062  5.4797  189.813    50.508   151.321    68.366   236.070    74.945   34.402  8.2883  43.285  7.4017  -8.883400      11.11224 
1 1 1 -9  29  7  o 179.592 4.8120  3933.10    209.687  3893.19    294.613  3974.07    298.511  178.221 6.8128  180.058 6.8326  -1.836548      9.648770 
1 1 1 -9  29  8  o 168.284 4.6887  3454.26    191.450  3731.64    269.559  3171.91    271.960  174.516 6.3658  160.738 6.9730  13.77766       9.441754 
1 1 1 -9  29  9  o 124.562 4.1938  1891.35    126.753  1984.96    178.830  1796.85    179.684  127.333 5.7881  120.930 6.1439  6.403542       8.440930 
1 1 1 -9  29  10 o 107.864 4.1190  1418.75    107.804  1494.47    151.425  1340.93    153.511  110.311 5.6766  104.378 6.0877  5.932861       8.323744 
1 1 1 -9  29  11 o 113.936 4.5758  1585.96    126.502  1599.15    201.482  1577.38    162.530  113.561 7.3516  113.208 5.9376  0.3526306      9.449882 
1 1 1 -9  29  12 o 95.157  4.0668  1105.28    93.899   1036.03    132.104  1175.99    133.493  91.617  5.9753  97.718  5.6543  -6.100639      8.226506 
1 1 1 -9  29  13 o 61.060  4.3306  458.036    63.744   479.818    88.051   434.048    92.403   62.177  5.9074  58.948  6.5721  3.228310       8.836850 
1 1 1 -9  29  14 o 28.169  6.8616  102.142    46.464   58.469     63.751   151.629    67.862   23.610  8.5914  34.169  8.2736  -10.55871      11.92741 
1 1 1 -9  29  15 o 69.538  4.2852  594.122    71.950   533.067    100.982  657.075    102.541  65.322  6.4557  72.759  5.8579  -7.437019      8.717334 
1 1 1 -9  29  16 o 64.092  4.3417  505.594    67.121   600.024    92.932   402.609    97.050   69.547  5.5534  56.397  7.2607  13.14962       9.140992 
1 1 1 -9  29  17 o 58.345  4.5405  420.272    63.773   386.571    88.686   456.358    91.770   55.360  6.7415  60.328  6.3654  -4.968216      9.271794 
1 1 1 -9  29  18 o 51.696  6.9115  338.893    84.525   321.307    97.052   394.127    172.002  49.846  8.3174  53.236  13.342  -3.389980      15.72224 
1 1 1 -9  29  19 o 83.190  5.9983  862.735    120.265  788.975    142.717  1043.42    223.368  78.920  7.5448  89.197  10.523  -10.27686      12.94854 
1 1 1 -9  29  20 o 36.082  8.2479  171.003    70.635   162.486    77.342   213.824    173.413  35.026  9.0394  40.472  14.236  -5.446270      16.86305 
1 1 1 -9  29  21 o 97.243  6.0324  1179.74    141.632  1179.74    141.632  0.0000     0.0000   97.243  6.0324  ?       ?       0.000000       6.032356 
1 1 1 -9  29  22 o 26.079  9.4728  75.907     77.453   75.907     77.453   0.0000     0.0000   26.079  9.4728  ?       ?       0.000000       9.472781 
1 1 1 -9  29  23 f 44.296  6.2972  249.626    65.777   261.208    93.696   238.372    92.363   44.356  9.0130  42.239  9.2666  2.117107       12.92689 
1 1 1 -9  29  24 f 41.144  6.6278  217.507    63.920   109.625    91.016   322.499    89.789   29.727  10.321  49.878  7.6644  -20.15041      12.85571 
1 1 1 -9  29  25 f 52.754  5.5491  350.370    69.966   301.097    98.304   400.951    99.601   47.563  8.8435  55.654  7.5722  -8.090874      11.64241 
1 1 1 -9  29  26 o 53.786  7.4662  375.628    94.812   198.994    199.160  427.389    107.812  38.943  14.974  57.169  7.9906  -18.22572      16.97238 
1 1 1 -9  29  27 o 42.945  8.2726  246.227    83.075   186.324    190.131  260.361    92.358   37.731  14.596  43.862  8.9804  -6.130299      17.13773 
1 1 1 -9  29  28 o 49.221  6.1522  310.493    71.872   374.726    103.107  249.785    100.238  53.087  8.2742  42.359  9.9260  10.72759       12.92235 
1 1 1 -9  29  29 o 22.540  8.6107  52.262     65.594   0.0000     0.0000   52.262     65.594   ?       ?       22.540  8.6107  0.000000       8.610695 
1 1 1 -9  29  30 o 20.050  7.9500  33.964     57.583   0.0000     0.0000   33.964     57.583   ?       ?       20.050  7.9500  0.000000       7.950018 
1 1 1 -9  29  31 o 19.680  7.6948  35.127     53.273   129.097    89.924   -15.6868   66.126   30.710  10.268  17.382  7.7460  13.32840       12.86215 
1 1 1 -9  29  32 o 22.227  7.8883  59.135     53.362   35.931     83.953   74.865     69.122   22.745  9.3862  24.832  8.9597  -2.087072      12.97602 
1 1 1 -9  29  33 o 29.753  9.2055  121.281    73.239   140.826    93.417   90.102     117.985  31.832  10.458  28.746  11.385  3.085833       15.45979 
1 1 1 -9  29  34 o 69.181  5.8503  610.328    97.284   516.278    126.049  748.878    152.991  61.870  8.6316  74.688  8.5992  -12.81783      12.18401 
1 1 1 -9  29  35 o 30.507  9.0754  128.666    72.142   135.307    93.671   118.985    113.101  31.266  10.480  30.434  11.378  0.8314533      15.46861 
1 1 1 -9  29  36 o 30.872  10.645  131.906    96.742   109.161    103.644  285.809    269.606  29.210  10.897  41.434  16.927  -12.22341      20.13124 
1 1 1 -9  29  37 o 23.088  9.6259  37.557     89.597   4.2184     95.321   290.417    262.514  21.625  9.4823  40.855  16.698  -19.22971      19.20249 
1 1 1 -9  30  1  o 83.114  4.0998  840.565    82.680   787.904    113.566  899.958    120.607  80.132  5.8820  85.675  5.8364  -5.543648      8.286252 
1 1 1 -9  30  2  o 116.442 4.1336  1650.19    116.790  1564.99    162.301  1741.68    168.188  113.054 5.9374  119.443 5.8032  -6.389511      8.302388 
1 1 1 -9  30  3  f 191.016 4.8758  4447.41    225.984  4332.22    316.212  4567.66    323.079  188.079 6.9291  193.131 6.8943  -5.052307      9.774656 
1 1 1 -9  30  4  o 222.821 6.1470  6071.71    332.340  5883.90    554.750  6176.85    415.068  217.694 10.502  224.261 7.6278  -6.567535      12.98013 
1 1 1 -9  30  5  o 126.923 4.1358  1962.13    127.370  1926.37    178.396  1999.31    181.914  125.513 5.8577  127.866 5.8634  -2.353020      8.288067 
1 1 1 -9  30  6  o 98.517  4.0917  1182.48    97.810   1152.57    135.857  1214.67    140.932  96.887  5.8057  99.460  5.8658  -2.572205      8.253112 
1 1 1 -9  30  7  o 187.860 4.9333  4310.53    224.873  4338.83    316.112  4281.54    319.960  187.861 6.9349  186.569 7.0679  1.291992       9.901955 
1 1 1 -9  30  8  o 108.337 4.1154  1431.31    108.182  1343.16    152.446  1520.74    153.544  104.469 6.0398  111.264 5.7066  -6.795059      8.309271 
1 1 1 -9  30  9  o 132.260 4.8154  2138.88    154.535  2256.41    250.714  2066.86    196.248  134.827 7.6956  129.673 6.2372  5.154037       9.905776 
1 1 1 -9  30  10 o 51.407  4.9827  326.522    61.371   310.833    94.562   337.939    80.667   49.400  8.1751  51.976  6.5412  -2.576260      10.46994 
1 1 1 -9  30  11 o 133.644 4.3331  2183.56    140.513  2242.60    198.065  2123.73    199.371  134.950 6.0488  131.256 6.2601  3.694336       8.704996 
1 1 1 -9  30  12 o 35.117  5.8111  155.726    47.784   100.484    67.606   210.874    67.548   28.326  8.8576  40.679  7.1019  -12.35366      11.35316 
1 1 1 -9  30  13 o 78.213  4.1678  750.543    78.810   716.743    110.326  785.763    112.618  75.961  6.0356  79.603  5.8721  -3.641998      8.420785 
1 1 1 -9  30  14 o 37.074  5.5092  172.936    48.052   144.914    66.663   203.242    69.327   33.323  8.2811  39.749  7.4621  -6.426720      11.14717 
1 1 1 -9  30  15 o 53.198  4.7021  350.261    60.070   305.707    83.834   397.271    86.114   48.982  7.2747  56.227  6.4275  -7.244331      9.707396 
1 1 1 -9  30  16 o 74.292  5.8863  687.627    105.238  592.511    125.633  911.353    192.679  68.277  7.7189  83.887  9.6415  -15.60994      12.35072 
1 1 1 -9  30  17 o 79.900  5.9253  795.829    114.055  805.681    139.125  775.636    199.173  79.869  7.2583  76.438  11.060  3.430473       13.22925 
1 1 1 -9  30  18 o 73.115  6.1912  669.322    108.805  625.585    127.985  783.329    206.634  70.101  7.6485  76.465  11.493  -6.364113      13.80513 
1 1 1 -9  30  19 o 24.215  8.6431  66.070     64.149   70.249     68.885   38.780     176.042  24.978  8.9521  31.109  13.257  -6.130362      15.99681 
1 1 1 -9  30  20 o 33.756  10.225  150.999    90.972   150.999    90.972   0.0000     0.0000   33.756  10.225  ?       ?       0.000000       10.22524 
1 1 1 -9  30  21 o 55.744  8.2735  403.521    108.509  403.521    108.509  0.0000     0.0000   55.744  8.2735  ?       ?       0.000000       8.273478 
1 1 1 -9  30  22 o 22.418  7.6721  59.746     50.214   -9.0710    80.597   103.404    64.195   19.965  8.7377  28.196  8.6004  -8.230619      12.26034 
1 1 1 -9  30  23 o 37.227  7.0513  180.454    61.361   127.903    88.234   229.675    85.392   31.243  10.159  41.476  8.7598  -10.23324      13.41425 
1 1 1 -9  30  24 o 39.297  8.7358  207.533    81.138   253.779    180.664  195.849    90.812   41.929  14.542  37.806  9.8137  4.123344       17.54390 
1 1 1 -9  30  25 o 21.265  8.6376  31.048     69.699   36.278     173.975  30.048     76.071   29.971  12.980  21.854  8.9669  8.116705       15.77620 
1 1 1 -9  30  26 o 12.453  6.0002  -77.4631   53.904   -10.4925   156.264  -86.5085   57.429   26.692  11.900  12.681  6.1305  14.01047       13.38655 
1 1 1 -9  30  27 o 30.933  7.9970  129.326    60.463   167.472    96.350   104.545    77.657   34.540  10.537  28.269  9.5416  6.271627       14.21488 
1 1 1 -9  30  28 o 19.406  8.1341  16.871     64.476   143.441    188.434  0.0872     68.618   34.717  14.163  18.727  8.1312  15.98972       16.33146 
1 1 1 -9  30  29 o 22.628  8.8786  49.164     71.124   0.0000     0.0000   49.164     71.124   ?       ?       22.628  8.8786  0.000000       8.878612 
1 1 1 -9  30  30 o 46.417  6.4922  280.645    71.118   303.349    106.838  262.580    95.301   46.422  9.7930  43.381  9.3308  3.040741       13.52653 
1 1 1 -9  30  31 o 40.427  7.3429  218.028    69.375   214.533    101.216  221.125    95.274   38.517  10.529  39.389  9.9620  -0.8716545     14.49477 
1 1 1 -9  30  32 o 38.414  8.5994  203.222    78.156   261.692    98.736   105.110    127.899  43.109  9.6767  30.085  11.874  13.02454       15.31739 
1 1 1 -9  30  33 o 48.322  7.5465  310.577    85.589   266.817    107.442  386.569    141.585  43.106  10.393  51.175  11.662  -8.068638      15.62147 
1 1 1 -9  30  34 o 80.286  5.5093  818.615    106.676  752.019    139.866  911.229    164.940  75.312  7.7653  82.416  8.3639  -7.103691      11.41297 
1 1 1 -9  30  35 o 20.161  8.9711  -11.3404   88.338   -22.0395   94.033   69.061     257.772  20.227  9.1079  33.481  15.077  -13.25389      17.61485 
1 1 1 -9  30  36 o 58.720  8.8298  477.513    121.912  492.087    131.761  390.814    321.371  59.056  9.5188  43.820  18.247  15.23603       20.58019 
1 1 1 -9  31  1  o 73.774  4.1751  664.824    74.431   669.464    101.863  659.509    109.023  73.810  5.7327  73.177  6.1984  0.6327133      8.442969 
1 1 1 -9  31  2  o 130.685 4.2678  2080.51    135.331  1900.12    187.426  2276.99    195.610  124.608 6.1990  136.460 5.9077  -11.85248      8.563200 
1 1 1 -9  31  3  o 162.750 4.5466  3229.73    179.545  3080.03    251.511  3385.29    256.389  158.507 6.5395  166.224 6.3568  -7.716690      9.119986 
1 1 1 -9  31  4  f 61.468  4.3780  463.006    64.869   454.376    88.577   472.988    95.264   60.601  6.1071  61.775  6.4508  -1.173130      8.883085 
1 1 1 -9  31  5  o 79.543  4.1227  773.411    79.297   696.864    110.531  854.591    113.827  75.143  6.1153  83.356  5.6614  -8.213318      8.333578 
1 1 1 -9  31  6  o 73.511  4.1527  661.245    73.767   708.485    102.511  610.512    106.234  75.841  5.6105  70.227  6.3014  5.613457       8.437148 
1 1 1 -9  31  7  o 145.145 4.4196  2573.19    155.652  2460.52    217.730  2690.97    222.602  141.428 6.3448  147.949 6.2009  -6.520309      8.871698 
1 1 1 -9  31  8  o 41.822  5.2674  217.706    52.267   229.835    72.216   204.363    75.743   42.543  7.2562  39.867  8.1062  2.675594       10.87950 
1 1 1 -9  31  9  o 134.861 4.3170  2223.60    141.263  2308.28    198.457  2136.63    201.122  136.924 5.9734  131.628 6.2972  5.296570       8.679652 
1 1 1 -9  31  10 o 113.647 4.1418  1579.13    114.211  1513.29    160.435  1646.78    162.625  110.629 5.9992  115.481 5.8226  -4.851761      8.360152 
1 1 1 -9  31  11 o 61.475  4.3876  465.125    65.017   499.639    91.911   430.555    91.986   63.331  6.0550  58.606  6.5825  4.725159       8.943861 
1 1 1 -9  31  12 o 91.547  4.1183  1025.96    91.480   982.640    127.357  1072.15    131.487  88.979  5.9329  92.986  5.8577  -4.006416      8.337385 
1 1 1 -9  31  13 o 22.673  6.9575  64.349     41.935   98.061     55.716   20.297     63.691   27.589  7.9124  20.038  8.2113  7.550966       11.40310 
1 1 1 -9  31  14 o 23.665  8.2660  64.301     58.420   94.591     66.793   -34.3127   120.517  27.478  8.8301  23.356  10.429  4.121729       13.66528 
1 1 1 -9  31  15 o 73.738  5.9575  678.786    105.680  684.365    125.903  665.483    194.424  73.597  7.1402  70.258  11.825  3.339096       13.81333 
1 1 1 -9  31  16 o 48.490  6.9382  299.779    79.306   313.223    93.377   264.982    150.228  49.175  8.1085  43.719  13.117  5.455624       15.42080 
1 1 1 -9  31  17 o 78.458  6.0141  769.650    113.620  812.660    137.992  679.108    200.214  80.141  7.1722  70.594  12.125  9.547119       14.08784 
1 1 1 -9  31  18 o 89.471  4.3261  984.250    93.917   940.729    128.996  1033.34    137.004  86.675  6.1740  90.823  6.2550  -4.147781      8.788807 
1 1 1 -9  31  19 o 88.736  6.5482  990.950    139.994  990.950    139.994  0.0000     0.0000   88.736  6.5482  ?       ?       0.000000       6.548212 
1 1 1 -9  31  20 o 59.414  7.7884  455.351    109.576  455.351    109.576  0.0000     0.0000   59.414  7.7884  ?       ?       0.000000       7.788419 
1 1 1 -9  31  21 o 53.056  5.6780  354.513    71.962   487.416    106.845  244.172    97.354   61.638  7.2848  42.462  9.6660  19.17614       12.10373 
1 1 1 -9  31  22 o 56.293  5.4783  398.446    73.881   476.731    107.468  328.292    101.734  60.776  7.4432  49.709  8.7545  11.06713       11.49095 
1 1 1 -9  31  23 o 32.852  9.3471  146.587    78.064   83.399     171.871  163.010    87.623   31.998  13.336  34.479  9.9325  -2.481464      16.62805 
1 1 1 -9  31  24 o 18.803  7.9468  10.729     62.372   60.679     161.762  2.0057     67.599   30.152  12.774  18.846  8.1265  11.30645       15.13966 
1 1 1 -9  31  25 o 15.189  7.0947  -54.0215   64.661   168.344    170.143  -91.5592   69.906   35.822  13.822  14.392  6.9089  21.42987       15.45228 
1 1 1 -9  31  26 o 32.808  7.6656  145.037    59.923   58.913     87.138   222.305    82.536   24.761  9.7917  40.323  8.6919  -15.56252      13.09299 
1 1 1 -9  31  27 o 27.278  9.1590  98.165     71.549   100.377    192.944  97.812     77.042   32.748  13.916  27.419  9.4972  5.328533       16.84774 
1 1 1 -9  31  28 o 29.163  9.5531  115.976    77.968   0.0000     0.0000   115.976    77.968   ?       ?       29.163  9.5531  0.000000       9.553144 
1 1 1 -9  31  29 o 73.192  5.1887  677.576    91.551   669.746    133.222  684.583    126.024  70.943  7.8721  72.171  7.2968  -1.228348      10.73376 
1 1 1 -9  31  30 o 59.657  6.1177  458.579    87.302   477.799    121.104  437.785    125.966  59.249  8.6815  56.011  9.6149  3.237179       12.95430 
1 1 1 -9  31  31 o 31.487  9.4246  138.776    77.623   198.478    96.410   28.748     130.881  37.086  10.330  25.979  11.255  11.10666       15.27714 
1 1 1 -9  31  32 o 35.833  9.1726  180.382    80.091   130.035    99.465   273.218    135.064  30.804  10.784  42.259  12.377  -11.45514      16.41649 
1 1 1 -9  31  33 o 84.279  5.5274  903.507    112.408  835.501    147.119  998.893    174.236  79.305  7.7444  86.071  8.4519  -6.766640      11.46340 
1 1 1 -9  31  34 o 36.043  10.794  192.225    101.798  202.288    109.679  129.654    273.500  36.741  11.248  35.450  15.779  1.290798       19.37769 
1 1 1 -9  31  35 o 37.886  10.885  216.767    105.366  191.426    112.401  400.394    302.572  35.431  11.462  43.913  17.935  -8.482117      21.28471 
1 1 1 -9  32  1  o 153.548 4.5231  2875.82    168.516  2860.72    235.618  2891.63    241.114  152.744 6.3574  153.537 6.4721  -0.7935028     9.072194 
1 1 1 -9  32  2  o 126.983 4.2127  1966.12    129.801  1826.15    180.138  2117.27    187.196  122.049 6.0829  131.465 5.8685  -9.415909      8.452236 
1 1 1 -9  32  3  o 31.865  6.4279  129.100    47.984   163.131    62.126   78.781     75.544   35.733  7.4086  26.676  9.3945  9.056948       11.96424 
1 1 1 -9  32  4  o 185.270 4.8575  4197.02    218.363  4021.68    305.838  4379.35    311.874  180.612 6.9788  188.541 6.8173  -7.929108      9.755970 
1 1 1 -9  32  5  o 54.373  4.6236  363.991    60.421   304.644    82.429   432.905    88.824   49.183  7.1138  58.992  6.3030  -9.808903      9.504416 
1 1 1 -9  32  6  o 76.100  4.1912  709.536    77.091   777.545    106.951  635.987    111.221  79.381  5.5883  71.537  6.4778  7.844070       8.555161 
1 1 1 -9  32  7  o 116.123 4.1654  1648.07    117.365  1572.32    164.069  1727.46    167.957  112.820 6.0151  118.465 5.8431  -5.645149      8.385908 
1 1 1 -9  32  8  o 54.579  4.6160  367.498    60.557   366.007    83.125   369.184    88.399   54.042  6.4677  54.168  6.8811  -0.1258965     9.443590 
1 1 1 -9  32  9  o 48.609  4.8324  292.774    56.240   277.897    77.545   309.283    81.688   46.799  7.0475  49.432  7.0068  -2.632935      9.937942 
1 1 1 -9  32  10 o 50.736  4.7728  318.833    58.066   305.055    78.500   335.480    86.286   49.114  6.7669  51.444  7.1020  -2.330311      9.809679 
1 1 1 -9  32  11 o 17.724  6.7361  28.279     40.013   8.1376     56.162   49.041     57.021   18.038  7.5777  21.930  8.1023  -3.892614      11.09359 
1 1 1 -9  32  12 o 51.307  5.1044  327.540    62.702   445.606    95.832   239.166    82.912   59.419  6.7678  42.852  8.2736  16.56611       10.68902 
1 1 1 -9  32  13 o 69.225  5.9787  599.041    99.438   604.313    118.856  586.743    181.533  69.083  7.1963  65.865  11.792  3.217888       13.81439 
1 1 1 -9  32  14 o 68.498  6.0767  587.796    99.947   563.458    119.956  643.049    180.744  66.481  7.5714  69.279  11.129  -2.797287      13.46038 
1 1 1 -9  32  15 o 65.269  6.1569  534.979    96.353   498.675    115.166  619.680    175.910  62.372  7.7788  67.941  11.051  -5.568825      13.51390 
1 1 1 -9  32  16 o 131.361 5.3396  2137.11    170.193  2208.11    198.772  1942.08    329.441  133.079 6.1557  120.542 11.399  12.53717       12.95478 
1 1 1 -9  32  17 o 57.736  5.1688  415.706    71.644   466.447    104.678  370.992    98.265   60.416  7.2879  53.600  7.7831  6.815632       10.66251 
1 1 1 -9  32  18 o 23.895  9.5746  43.759     84.385   43.759     84.385   0.0000     0.0000   23.895  9.5746  ?       ?       0.000000       9.574631 
1 1 1 -9  32  19 o 45.945  8.8948  280.829    95.576   280.829    95.576   0.0000     0.0000   45.945  8.8948  ?       ?       0.000000       8.894788 
1 1 1 -9  32  20 o 55.704  5.2350  388.919    69.927   330.819    101.629  441.157    96.365   49.950  8.7015  58.701  6.8971  -8.750671      11.10348 
1 1 1 -9  32  21 o 18.518  7.7214  14.170     57.661   22.506     154.833  12.828     62.130   28.200  12.229  18.988  7.9732  9.211761       14.59889 
1 1 1 -9  32  22 o 14.467  6.7901  -56.3453   60.435   7.7942     151.760  -68.4336   65.884   27.182  11.941  14.760  6.9770  12.42277       13.82975 
1 1 1 -9  32  23 o 31.536  9.3307  135.931    76.412   0.0027     171.521  169.588    85.349   28.081  12.497  34.955  9.7138  -6.873890      15.82858 
1 1 1 -9  32  24 o 9.8043  4.7791  -64.5347   36.839   -280.5097  67.845   25.766     43.869   ?       ?       17.677  6.9612  0.000000       6.961179 
1 1 1 -9  32  25 o 22.373  8.1316  58.042     57.086   145.876    83.621   -18.6243   78.124   32.307  9.8072  18.752  8.3834  13.55519       12.90202 
1 1 1 -9  32  26 o 45.694  6.3153  271.404    68.147   231.592    97.943   308.762    94.878   40.237  10.059  47.578  8.5320  -7.340786      13.19008 
1 1 1 -9  32  27 o 60.233  7.8811  485.232    112.419  0.0000     0.0000   485.232    112.419  ?       ?       60.233  7.8811  0.000000       7.881100 
1 1 1 -9  32  28 o 54.778  6.0322  387.273    78.848   475.805    116.932  313.454    106.775  59.255  8.3655  47.090  9.6688  12.16565       12.78541 
1 1 1 -9  32  29 o 30.118  8.5662  125.734    65.577   212.887    100.736  61.637     86.389   38.176  10.532  24.642  9.7481  13.53402       14.35097 
1 1 1 -9  32  30 o 30.104  9.6103  126.091    79.217   177.121    101.038  44.676     127.622  34.875  10.816  26.458  11.282  8.417183       15.62902 
1 1 1 -9  32  31 o 32.601  9.4831  150.443    79.526   167.846    99.842   120.240    131.531  34.018  10.782  30.929  12.091  3.088840       16.20016 
1 1 1 -9  32  32 o 43.198  8.3738  256.699    84.603   266.432    110.124  242.679    132.162  42.551  10.682  39.571  12.386  2.979496       16.35622 
1 1 1 -9  32  33 o 27.594  10.442  96.073     95.896   122.811    102.865  -81.4561   265.052  29.916  10.909  29.520  13.966  0.3964539      17.72195 
1 1 1 -9  33  1  o 59.526  4.4354  435.025    63.603   458.160    86.322   407.548    94.073   60.823  5.9244  57.109  6.9309  3.713627       9.117865 
1 1 1 -9  33  2  o 193.077 4.9733  4562.51    232.990  4388.69    325.936  4744.14    333.178  188.499 7.1262  196.043 7.0043  -7.544174      9.992140 
1 1 1 -9  33  3  o 126.481 4.2089  1954.00    129.169  1858.16    178.857  2058.48    186.744  122.914 5.9971  129.384 5.9484  -6.470276      8.446819 
1 1 1 -9  33  4  o 32.110  6.5064  131.686    48.957   92.692     62.186   195.251    79.395   27.267  8.4900  38.798  8.6539  -11.53058      12.12311 
1 1 1 -9  33  5  o 65.387  4.3173  525.237    68.111   499.919    94.162   553.021    98.641   63.363  6.2041  66.683  6.1664  -3.319248      8.747309 
1 1 1 -9  33  6  o 70.802  4.3274  615.872    73.986   606.943    101.568  625.966    107.990  69.870  6.0508  70.880  6.3462  -1.010056      8.768538 
1 1 1 -9  33  7  o 62.683  4.4089  483.781    66.629   435.611    91.525   538.093    97.185   58.944  6.5079  65.681  6.1704  -6.737038      8.968084 
1 1 1 -9  33  8  o 63.471  4.4022  496.303    67.377   487.349    93.295   506.063    97.410   62.417  6.2440  63.566  6.4027  -1.149612      8.943278 
1 1 1 -9  33  9  o 77.103  4.1934  730.853    78.156   787.354    108.558  670.053    112.613  79.617  5.6562  73.170  6.4075  6.446815       8.546886 
1 1 1 -9  33  10 o 96.978  4.5906  1156.20    108.021  1069.62    168.169  1217.01    140.942  91.950  7.6058  98.910  5.8995  -6.959419      9.625654 
1 1 1 -9  33  11 o 166.444 6.7889  3464.42    274.179  3429.47    354.125  3516.73    433.219  163.603 8.9547  163.519 10.983  0.8401489E-01  14.17052 
1 1 1 -9  33  12 o 29.746  8.5053  115.806    64.472   103.814    74.147   152.972    130.536  28.650  9.3128  34.959  12.345  -6.309246      15.46381 
1 1 1 -9  33  13 o 40.575  7.5663  213.928    71.751   176.052    81.483   344.685    151.395  36.309  9.2291  49.627  12.561  -13.31806      15.58742 
1 1 1 -9  33  14 o 76.501  6.0732  733.766    111.805  791.820    134.780  605.673    200.204  79.027  7.1048  65.806  12.999  13.22090       14.81433 
1 1 1 -9  33  15 o 94.275  4.2474  1093.32    97.158   1099.65    136.329  1086.78    138.501  93.719  6.0271  93.101  6.1660  0.6187439      8.622351 
1 1 1 -9  33  16 o 75.953  4.7481  715.237    87.065   654.925    123.981  773.916    122.293  71.659  7.2293  78.305  6.4951  -6.645378      9.718516 
1 1 1 -9  33  17 o 86.493  6.6470  946.555    138.432  946.555    138.432  0.0000     0.0000   86.493  6.6470  ?       ?       0.000000       6.647015 
1 1 1 -9  33  18 o 59.037  7.6433  451.218    106.918  451.218    106.918  0.0000     0.0000   59.037  7.6433  ?       ?       0.000000       7.643278 
1 1 1 -9  33  19 o 87.437  4.6308  949.268    97.896   889.444    138.186  1009.54    138.707  83.484  6.8831  89.236  6.4495  -5.751999      9.432612 
1 1 1 -9  33  20 o 66.820  6.9263  573.891    110.666  404.046    211.926  637.569    129.763  50.504  15.665  69.969  7.7747  -19.46531      17.48784 
1 1 1 -9  33  21 o 83.574  6.6010  893.534    132.768  934.754    243.856  876.168    158.284  80.017  13.007  81.716  8.0892  -1.699074      15.31687 
1 1 1 -9  33  22 o 29.599  9.0842  118.842    71.486   14.247     171.035  140.982    78.689   28.432  12.575  31.968  9.4710  -3.535965      15.74272 
1 1 1 -9  33  23 o 18.503  7.4825  24.161     52.052   -4.1396    77.666   47.240     70.135   19.533  8.5622  22.408  8.8089  -2.874983      12.28444 
1 1 1 -9  33  24 o 16.389  6.9732  5.9711     48.563   45.080     73.899   -23.7561   64.428   22.478  8.9765  16.637  7.5108  5.840696       11.70426 
1 1 1 -9  33  25 o 23.568  8.9174  62.295     69.925   304.300    189.308  24.061     75.246   42.736  14.883  20.962  8.7869  21.77365       17.28288 
1 1 1 -9  33  26 f 40.448  9.5399  232.883    92.108   0.0000     0.0000   232.883    92.108   ?       ?       40.448  9.5399  0.000000       9.539916 
1 1 1 -9  33  27 o 49.634  6.2944  320.972    74.102   270.225    110.532  362.400    99.869   42.865  10.669  51.588  8.2569  -8.722378      13.49108 
1 1 1 -9  33  28 o 70.735  5.8445  642.224    99.413   669.855    130.351  603.810    153.697  70.865  7.7050  65.315  10.018  5.550491       12.63829 
1 1 1 -9  33  29 o 24.388  9.2460  68.132     75.267   35.336     95.419   122.146    122.457  23.487  9.8726  30.654  11.752  -7.166624      15.34858 
1 1 1 -9  33  30 o 22.412  8.9265  46.989     72.898   71.653     94.387   10.530     114.760  25.820  10.197  23.684  10.394  2.135874       14.56107 
1 1 1 -9  33  31 o 30.210  10.864  126.243    101.523  130.237    110.014  103.320    263.534  30.709  11.269  34.228  15.343  -3.518608      19.03682 
1 1 1 -9  33  32 o 37.173  10.832  208.510    103.674  214.030    111.915  175.115    275.274  37.363  11.347  36.145  15.971  1.218712       19.59148 
1 1 1 -9  34  1  o 14.375  6.2752  -7.7823    41.335   15.738     52.553   -45.9392   66.937   18.255  7.4672  16.265  7.4628  1.989479       10.55715 
1 1 1 -9  34  2  o 35.249  5.8305  156.866    48.124   231.443    62.727   50.170     75.028   42.893  6.2075  23.889  9.1893  19.00435       11.08948 
1 1 1 -9  34  3  o 106.712 4.1400  1392.71    107.196  1362.33    147.712  1426.52    155.806  104.977 5.8219  107.365 6.0048  -2.388802      8.363774 
1 1 1 -9  34  4  o 60.875  4.4590  456.464    65.405   425.655    88.268   493.975    97.399   58.320  6.3397  62.833  6.4816  -4.512749      9.066620 
1 1 1 -9  34  5  o 59.679  4.5529  439.390    65.432   391.222    88.216   498.298    97.556   55.757  6.6518  63.071  6.4661  -7.314217      9.276708 
1 1 1 -9  34  6  o 63.938  4.3535  503.639    67.138   481.103    92.496   528.734    97.605   61.990  6.2340  65.004  6.2659  -3.013550      8.838772 
1 1 1 -9  34  7  o 20.134  6.9321  46.565     41.016   -17.6966   53.883   135.096    63.245   15.758  7.0095  32.118  8.1130  -16.35998      10.72163 
1 1 1 -9  34  8  o 73.727  6.0258  679.202    106.854  703.884    128.613  624.197    191.997  74.613  7.1932  67.805  12.115  6.808273       14.08915 
1 1 1 -9  34  9  o 67.678  5.9542  573.238    96.781   483.688    115.532  783.927    177.211  61.385  7.9429  77.476  9.6347  -16.09099      12.48672 
1 1 1 -9  34  10 o 84.637  6.0371  895.964    123.168  1029.46    150.729  627.680    213.676  90.333  6.9296  66.727  13.657  23.60657       15.31490 
1 1 1 -9  34  11 o 69.118  6.0064  599.276    99.731   546.333    118.724  726.191    183.819  65.316  7.6354  73.798  10.567  -8.481911      13.03710 
1 1 1 -9  34  12 o 20.314  7.9341  34.571     56.591   66.025     62.860   -99.9601   130.001  24.043  8.5585  21.600  10.079  2.443251       13.22283 
1 1 1 -9  34  13 o 68.593  4.4154  581.913    73.096   501.876    102.052  666.235    104.748  62.850  6.8004  72.856  5.9781  -10.00564      9.054408 
1 1 1 -9  34  14 o 15.425  6.7437  -7.4507    47.897   62.969     80.854   -45.5251   59.452   25.078  9.5648  14.936  6.9172  10.14227       11.80396 
1 1 1 -9  34  15 o 70.848  4.8295  623.887    82.526   586.633    117.859  659.723    115.594  67.666  7.2937  72.094  6.6840  -4.427879      9.893126 
1 1 1 -9  34  16 o 34.491  9.9993  161.814    88.552   161.814    88.552   0.0000     0.0000   34.491  9.9993  ?       ?       0.000000       9.999309 
1 1 1 -9  34  17 o 69.020  7.0631  611.150    116.619  611.150    116.619  0.0000     0.0000   69.020  7.0631  ?       ?       0.000000       7.063091 
1 1 1 -9  34  18 o 40.416  13.836  237.751    163.307  237.751    163.307  0.0000     0.0000   40.416  13.836  ?       ?       0.000000       13.83586 
1 1 1 -9  34  19 o 55.675  7.4189  404.766    97.728   372.980    193.987  415.577    113.134  48.639  14.971  55.753  8.6427  -7.113644      17.28625 
1 1 1 -9  34  20 o 60.176  7.0610  470.699    101.139  590.125    203.635  431.593    116.527  62.163  13.855  56.608  8.7671  5.554714       16.39563 
1 1 1 -9  34  21 o 66.901  5.0585  563.726    81.507   545.950    116.316  580.877    114.249  64.395  7.5901  66.717  7.1701  -2.322136      10.44125 
1 1 1 -9  34  22 o 25.399  8.4103  84.427     60.369   127.556    92.814   52.801     79.479   30.519  10.431  23.558  9.3402  6.960854       14.00141 
1 1 1 -9  34  23 o 37.226  6.6505  183.319    57.866   -164.9432  104.966  335.373    69.357   16.431  8.0221  51.112  5.6891  -34.68028      9.834634 
1 1 1 -9  34  24 o 23.402  8.9733  60.071     71.400   137.872    174.607  44.449     78.240   33.131  13.588  22.658  9.1698  10.47231       16.39299 
1 1 1 -9  34  25 o 25.026  8.9845  79.216     69.413   0.0000     0.0000   79.216     69.413   ?       ?       25.026  8.9845  0.000000       8.984478 
1 1 1 -9  34  26 o 53.411  6.2965  371.901    80.031   476.296    128.150  305.153    102.471  58.275  9.3815  46.399  9.4234  11.87547       13.29708 
1 1 1 -9  34  27 o 52.922  6.7522  368.763    84.729   365.326    114.920  372.856    125.415  50.686  9.6975  50.533  10.568  0.1533279      14.34340 
1 1 1 -9  34  28 o 18.987  8.2704  1.9854     71.448   -22.1604   92.691   37.337     112.155  20.012  9.0239  24.814  10.578  -4.801622      13.90448 
1 1 1 -9  34  29 o 29.561  9.3094  122.774    74.531   206.173    97.907   7.8424     114.935  37.392  10.408  23.474  10.349  13.91866       14.67770 
1 1 1 -9  34  30 o 34.038  11.123  173.401    105.724  203.589    115.493  17.268     262.657  36.432  11.601  31.547  14.585  4.885246       18.63633 
1 1 1 -9  34  31 o 38.184  11.088  224.161    108.812  215.039    118.865  271.351    270.349  37.008  11.768  38.816  16.483  -1.807507      20.25230 
1 1 1 -9  35  1  o 52.548  4.7076  341.379    59.387   281.019    80.203   414.638    88.358   46.997  7.2678  57.523  6.4411  -10.52585      9.711272 
1 1 1 -9  35  2  o 40.025  5.7566  201.637    54.298   212.915    71.822   186.593    82.954   40.673  7.5558  37.656  9.1655  3.016861       11.87842 
1 1 1 -9  35  3  o 55.941  4.6145  386.790    62.076   368.351    83.394   409.703    92.961   54.098  6.4823  56.974  6.8627  -2.875996      9.440125 
1 1 1 -9  35  4  o 51.309  4.8970  326.836    60.225   323.550    81.257   330.841    89.711   50.524  6.8011  50.876  7.4915  -0.3516350     10.11817 
1 1 1 -9  35  5  o 32.647  6.3840  136.957    48.759   189.142    64.897   69.313     73.887   38.266  7.2550  25.297  9.2424  12.96945       11.74980 
1 1 1 -9  35  6  o 35.289  8.0591  163.525    67.493   156.906    78.421   182.434    132.547  34.381  9.2136  37.268  12.466  -2.886757      15.50163 
1 1 1 -9  35  7  o 79.039  5.9253  780.835    112.809  606.286    135.830  1168.92    202.533  68.592  8.3324  95.186  8.8714  -26.59362      12.17089 
1 1 1 -9  35  8  o 30.941  8.3844  126.333    64.514   107.156    74.545   183.552    128.766  28.959  9.3308  37.102  12.283  -8.142275      15.42507 
1 1 1 -9  35  9  o 18.793  7.7173  18.048     56.406   -5.5810    62.881   115.382    127.622  17.876  7.7728  32.013  12.063  -14.13687      14.35017 
1 1 1 -9  35  10 o 47.649  7.0686  291.754    79.246   333.586    92.934   180.290    151.699  50.723  7.8009  37.242  13.291  13.48170       15.41145 
1 1 1 -9  35  11 o 53.104  4.7478  351.032    60.531   205.347    82.862   517.734    88.638   39.188  8.9154  64.230  5.7483  -25.04210      10.60790 
1 1 1 -9  35  12 o 70.881  4.8593  624.408    83.068   630.122    113.122  617.721    122.374  70.464  6.6968  69.442  7.3757  1.022583       9.962332 
1 1 1 -9  35  13 o 52.624  5.9632  350.450    74.799   312.185    103.715  391.925    107.977  48.315  9.1827  54.646  8.4134  -6.331360      12.45417 
1 1 1 -9  35  14 o 52.375  5.7638  346.719    72.036   207.595    103.654  476.677    100.182  38.697  10.687  61.024  6.8863  -22.32693      12.71332 
1 1 1 -9  35  15 o 18.398  7.4171  22.755     50.975   -12.3555   85.617   42.036     63.447   20.236  8.9261  21.587  8.4093  -1.351711      12.26340 
1 1 1 -9  35  16 o 30.662  12.697  78.498     154.384  78.498     154.384  0.0000     0.0000   30.662  12.697  ?       ?       0.000000       12.69707 
1 1 1 -9  35  17 o 32.960  12.943  127.428    151.254  127.428    151.254  0.0000     0.0000   32.960  12.943  ?       ?       0.000000       12.94295 
1 1 1 -9  35  18 o 52.170  7.3777  357.207    90.787   405.539    179.582  340.614    105.224  51.035  14.055  50.044  8.9963  0.9903831      16.68779 
1 1 1 -9  35  19 o 46.146  8.3726  288.028    90.294   515.489    185.755  217.654    103.322  57.955  13.466  38.897  10.640  19.05801       17.16235 
1 1 1 -9  35  20 o 23.922  8.1629  72.666     56.842   91.281     90.924   60.724     72.828   27.356  10.206  23.710  9.0694  3.646063       13.65381 
1 1 1 -9  35  21 f 42.650  6.3610  237.841    63.815   254.565    95.831   224.517    85.538   42.402  9.5446  40.056  9.0183  2.346832       13.13119 
1 1 1 -9  35  22 o 30.931  7.9769  132.060    60.257   144.225    94.622   123.762    78.152   31.749  10.530  29.736  9.5511  2.013399       14.21640 
1 1 1 -9  35  23 o 27.055  8.1800  100.532    58.260   18.378     86.070   170.003    79.149   21.513  9.2214  34.485  9.2626  -12.97224      13.07016 
1 1 1 -9  35  24 o 23.576  8.7451  66.504     66.561   0.0000     0.0000   66.504     66.561   ?       ?       23.576  8.7451  0.000000       8.745121 
1 1 1 -9  35  25 o 22.184  8.3250  56.222     60.665   26.570     102.476  72.220     75.272   23.370  10.041  24.595  9.2648  -1.225243      13.66224 
1 1 1 -9  35  26 o 43.146  8.2663  257.054    83.390   257.754    108.606  256.048    130.160  41.586  10.701  40.376  12.231  1.209763       16.25149 
1 1 1 -9  35  27 f 29.654  9.2382  124.036    73.619   86.306     99.477   169.722    109.463  27.004  10.527  33.766  11.329  -6.761644      15.46466 
1 1 1 -9  35  28 o 26.770  9.6171  94.591     79.545   85.822     109.924  104.231    115.253  27.411  10.948  28.859  11.308  -1.448105      15.73944 
1 1 1 -9  35  29 o 42.234  10.744  269.193    110.365  210.404    122.745  517.322    252.171  36.598  11.986  50.581  17.194  -13.98294      20.95929 
1 1 1 -9  35  30 o 22.475  9.6812  25.337     95.731   39.371     104.800  -45.3852   235.261  23.956  10.219  28.251  13.302  -4.295099      16.77479 
1 1 1 -9  36  1  f 60.615  4.4517  453.488    65.016   464.571    89.456   441.080    94.656   60.896  6.1379  59.138  6.7156  1.758335       9.098016 
1 1 1 -9  36  2  o 83.577  4.2276  859.313    85.454   934.729    117.682  775.190    124.289  86.726  5.6227  78.595  6.5779  8.131279       8.653544 
1 1 1 -9  36  3  o 79.756  5.9889  794.564    115.051  779.078    139.126  828.060    204.618  78.383  7.4028  78.885  10.989  -0.5018616     13.24951 
1 1 1 -9  36  4  o 46.215  7.1873  274.206    77.977   237.211    90.548   380.380    153.398  42.273  9.0975  52.346  12.288  -10.07327      15.28910 
1 1 1 -9  36  5  o 77.726  6.0046  756.676    112.366  692.856    135.171  899.413    202.152  73.628  7.6792  82.404  10.338  -8.775436      12.87798 
1 1 1 -9  36  6  o 87.374  6.0013  956.089    126.460  946.489    153.781  976.143    222.253  86.229  7.4223  85.296  10.995  0.9325409      13.26553 
1 1 1 -9  36  7  o 44.849  7.0336  258.991    74.023   235.351    85.805   327.780    146.368  42.117  8.6849  48.191  12.435  -6.073727      15.16724 
1 1 1 -9  36  8  o 64.268  5.5232  517.177    85.293   484.187    96.477   635.233    182.504  61.788  6.5343  68.131  11.446  -6.343452      13.17958 
1 1 1 -9  36  9  o 41.402  5.4680  216.596    53.587   239.177    73.363   190.768    78.461   42.923  7.3058  37.768  8.7357  5.155727       11.38801 
1 1 1 -9  36  10 o 75.372  5.3788  709.893    97.724   763.191    152.288  672.581    127.419  76.666  8.3201  72.451  7.3499  4.215111       11.10159 
1 1 1 -9  36  11 o 38.542  6.9486  193.094    62.592   146.559    88.130   240.457    88.911   32.985  10.080  42.334  8.9364  -9.348785      13.47107 
1 1 1 -9  36  12 o 46.443  5.9625  274.401    65.639   261.470    90.531   288.734    95.310   44.208  8.7495  46.501  8.7688  -2.292648      12.38732 
1 1 1 -9  36  13 o 24.311  7.9762  74.544     54.344   49.888     77.896   97.924     75.852   23.576  9.2786  27.768  9.4299  -4.191948      13.22934 
1 1 1 -9  36  14 o 63.379  6.2262  511.511    94.511   422.952    196.021  538.333    107.879  52.223  14.795  64.646  6.9887  -12.42301      16.36288 
1 1 1 -9  36  15 f 55.863  14.357  482.297    195.660  482.297    195.660  0.0000     0.0000   55.863  14.357  ?       ?       0.000000       14.35682 
1 1 1 -9  36  16 o 49.053  14.715  383.573    189.076  383.573    189.076  0.0000     0.0000   49.053  14.715  ?       ?       0.000000       14.71504 
1 1 1 -9  36  17 o 37.078  8.9240  190.316    79.317   394.076    174.430  137.202    89.057   50.053  13.879  31.479  10.205  18.57342       17.22643 
1 1 1 -9  36  18 o 57.570  5.5162  422.297    76.112   609.159    112.761  265.912    103.157  68.374  6.8908  43.203  10.033  25.17036       12.17124 
1 1 1 -9  36  19 o 22.309  8.0550  59.313     55.882   -0.1823    84.583   105.399    74.443   20.391  8.9371  27.920  9.3425  -7.528414      12.92883 
1 1 1 -9  36  20 o 27.030  8.2717  99.963     59.319   219.278    93.984   20.957     76.477   38.917  9.9226  20.787  8.7933  18.12970       13.25825 
1 1 1 -9  36  21 o 12.914  6.0593  -43.0794   48.063   -112.0494  83.872   -9.3562    58.648   15.367  7.4239  16.588  7.3488  -1.220935      10.44607 
1 1 1 -9  36  22 o 46.145  6.0402  278.008    66.005   179.631    96.421   364.765    90.547   34.747  10.527  52.115  7.3658  -17.36867      12.84838 
1 1 1 -9  36  23 o 32.793  9.9142  157.132    85.582   0.0000     0.0000   157.132    85.582   ?       ?       32.793  9.9142  0.000000       9.914181 
1 1 1 -9  36  24 o 38.288  9.1326  209.927    83.655   126.919    116.960  296.871    119.701  30.387  11.524  44.171  11.163  -13.78372      16.04480 
1 1 1 -9  36  25 o 35.425  8.8463  178.479    75.810   184.096    99.799   170.816    116.566  35.055  10.729  33.685  11.681  1.370125       15.86085 
1 1 1 -9  36  26 o 21.220  8.6032  38.277     69.006   45.727     89.410   27.303     108.521  23.444  9.6816  23.805  10.281  -0.3608170     14.12186 
1 1 1 -9  36  27 o 18.384  8.5180  -48.9857   90.296   15.024     98.991   -366.1047  220.334  22.316  9.7272  21.785  10.819  0.5306606      14.54893 
1 1 1 -9  36  28 o 39.906  11.000  245.712    109.938  227.362    122.114  324.212    252.564  37.735  11.920  40.579  16.457  -2.844009      20.32002 
1 1 1 -9  36  29 o 32.042  10.497  156.046    94.138   144.547    101.692  224.933    248.900  30.972  10.901  36.046  15.568  -5.073982      19.00518 
1 1 1 -9  37  1  o 57.998  6.3958  424.727    88.509   416.690    105.696  443.590    161.929  56.884  7.8684  56.664  12.143  0.2204361      14.46930 
1 1 1 -9  37  2  o 117.921 6.1863  1739.95    176.389  1800.29    220.724  1633.32    293.422  118.982 7.6866  110.628 11.080  8.354012       13.48518 
1 1 1 -9  37  3  f 67.110  6.0847  566.397    98.003   606.638    116.913  471.296    179.729  69.053  7.0778  57.631  13.144  11.42170       14.92841 
1 1 1 -9  37  4  o 48.624  6.7618  302.445    77.617   317.016    90.343   261.382    151.667  49.403  7.7952  42.946  13.240  6.457329       15.36464 
1 1 1 -9  37  5  o 14.581  6.6638  -31.7481   52.668   -66.4266   58.135   127.053    124.403  13.704  6.5004  32.521  11.976  -18.81724      13.62636 
1 1 1 -9  37  6  o 66.650  4.5040  550.699    72.411   610.388    98.938   481.841    106.265  69.665  5.9088  61.265  7.2917  8.400349       9.385256 
1 1 1 -9  37  7  o 70.866  4.8867  624.826    83.513   591.607    119.031  657.031    117.201  67.900  7.3417  71.860  6.8027  -3.960060      10.00890 
1 1 1 -9  37  8  o 47.534  6.2288  288.000    70.111   310.510    103.171  268.685    95.569   48.145  9.1665  44.730  9.1149  3.414776       12.92694 
1 1 1 -9  37  9  o 25.592  8.4417  82.659     60.842   47.281     92.283   109.862    80.921   24.693  9.9708  29.197  9.7405  -4.504541      13.93895 
1 1 1 -9  37  10 o 37.845  7.1648  187.624    63.383   178.625    90.873   196.150    88.451   36.030  10.027  37.836  9.6147  -1.806705      13.89182 
1 1 1 -9  37  11 o 80.793  4.8077  813.318    93.822   790.664    129.104  838.671    136.582  78.615  6.8362  80.862  7.0311  -2.247475      9.806657 
1 1 1 -9  37  12 o 66.686  6.5687  569.295    104.908  378.798    200.638  640.972    123.072  49.019  15.248  70.366  7.3152  -21.34714      16.91185 
1 1 1 -9  37  13 o 81.552  6.4137  849.463    125.889  706.978    226.751  912.951    151.359  68.175  14.170  83.788  7.5252  -15.61261      16.04423 
1 1 1 -9  37  14 o 53.938  14.519  460.470    194.229  460.470    194.229  0.0000     0.0000   53.938  14.519  ?       ?       0.000000       14.51941 
1 1 1 -9  37  15 o 36.650  13.926  191.949    171.002  191.949    171.002  0.0000     0.0000   36.650  13.926  ?       ?       0.000000       13.92642 
1 1 1 -9  37  16 o 16.398  7.0642  1.7873     50.982   -8.2152    86.181   7.1721     63.233   20.177  8.9249  18.456  7.9074  1.720493       11.92398 
1 1 1 -9  37  17 o 42.468  6.7064  237.864    66.812   324.224    102.675  174.442    87.988   48.259  9.1022  34.834  9.9279  13.42527       13.46896 
1 1 1 -9  37  18 o 20.329  7.6655  44.629     51.556   68.434     82.304   29.256     66.141   24.777  9.5983  20.333  8.3540  4.444532       12.72470 
1 1 1 -9  37  19 o 23.972  8.6610  71.844     64.622   151.561    167.301  57.865     70.059   33.209  13.420  22.988  8.8695  10.22086       16.08591 
1 1 1 -9  37  20 o 14.826  6.6240  -13.0097   48.688   -19.0844   84.413   -9.9813    59.601   19.141  8.6232  16.633  7.3865  2.508377       11.35423 
1 1 1 -9  37  21 o 48.778  6.0424  311.115    69.986   303.130    101.439  318.369    96.682   45.920  9.4201  47.638  8.6842  -1.718040      12.81225 
1 1 1 -9  37  22 o 22.647  8.6914  57.662     67.022   0.0000     0.0000   57.662     67.022   ?       ?       22.647  8.6914  0.000000       8.691411 
1 1 1 -9  37  23 o 41.676  8.6906  245.426    85.035   168.115    120.343  322.520    120.174  33.272  11.842  46.165  10.902  -12.89294      16.09657 
1 1 1 -9  37  24 o 78.276  5.6294  788.579    106.205  709.022    140.475  894.726    162.262  71.975  8.1895  80.672  8.4134  -8.697029      11.74111 
1 1 1 -9  37  25 o 18.777  8.1522  5.5198     68.966   14.707     86.841   -10.1703   113.486  21.187  9.1732  22.278  10.021  -1.091389      13.58558 
1 1 1 -9  37  26 o 22.231  9.6221  20.822     95.478   3.2736     100.977  168.913    293.338  21.769  9.6435  35.456  16.015  -13.68688      18.69390 
1 1 1 -9  37  27 o 43.902  10.727  295.847    113.290  296.479    126.417  293.272    255.310  42.965  11.776  38.689  16.200  4.276031       20.02755 
1 1 1 -9  37  28 o 51.539  7.2095  362.710    87.690   420.201    115.759  285.296    134.327  53.768  9.2038  41.030  12.424  12.73808       15.46204 
1 1 1 -9  38  1  o 31.209  8.1884  129.218    62.783   130.874    71.444   123.601    131.559  31.363  8.9484  32.620  12.256  -1.257050      15.17516 
1 1 1 -9  38  2  o 107.049 6.0457  1437.88    156.391  1370.09    194.046  1563.55    264.183  103.365 7.7942  108.483 10.155  -5.118492      12.80095 
1 1 1 -9  38  3  o 36.748  6.0636  173.121    52.180   187.293    68.786   153.912    80.083   37.687  7.7801  33.772  9.4180  3.914928       12.21592 
1 1 1 -9  38  4  o 63.907  4.5323  507.038    69.824   584.878    94.713   414.368    103.342  68.192  5.7785  56.500  7.7418  11.69268       9.660602 
1 1 1 -9  38  5  f 40.921  6.8877  217.008    65.960   316.202    95.413   126.209    91.287   48.956  8.3307  31.079  10.345  17.87732       13.28191 
1 1 1 -9  38  6  o 32.860  8.0507  144.158    63.686   185.141    93.604   108.835    86.900   36.683  10.165  29.304  10.090  7.379715       14.32269 
1 1 1 -9  38  7  o 18.114  7.6131  10.690     56.732   -39.5857   90.642   43.069     72.741   19.442  8.8297  22.575  8.9404  -3.133425      12.56560 
1 1 1 -9  38  8  o 27.354  8.4911  98.216     62.256   170.219    93.765   41.449     83.255   35.110  10.321  23.391  9.4616  11.71953       14.00183 
1 1 1 -9  38  9  o 27.341  8.5019  98.448     62.384   -47.9525   93.603   215.445    83.677   19.343  8.8563  39.833  8.8838  -20.49052      12.54417 
1 1 1 -9  38  10 o 19.464  8.3095  8.2086     69.376   -33.3539   129.828  24.820     82.078   23.600  10.657  22.005  9.1969  1.595440       14.07695 
1 1 1 -9  38  11 o 45.324  8.2132  275.402    86.997   325.134    170.157  257.800    101.229  45.810  14.008  42.953  9.9140  2.857407       17.16121 
1 1 1 -9  38  12 o 89.485  6.3681  1025.34    137.367  909.228    243.238  1079.71    166.451  77.830  13.361  90.825  7.6235  -12.99426      15.38321 
1 1 1 -9  38  13 o 27.156  11.895  23.864     149.664  23.864     149.664  0.0000     0.0000   27.156  11.895  ?       ?       0.000000       11.89544 
1 1 1 -9  38  14 o 79.868  7.1731  835.703    137.528  835.703    137.528  0.0000     0.0000   79.868  7.1731  ?       ?       0.000000       7.173116 
1 1 1 -9  38  15 o 51.516  5.8556  342.264    71.894   401.186    105.039  290.332    98.612   54.372  8.2182  45.468  9.2530  8.903503       12.37570 
1 1 1 -9  38  16 o 72.682  5.2087  671.738    91.250   653.315    130.137  689.555    127.982  69.727  7.8272  71.984  7.4345  -2.256691      10.79521 
1 1 1 -9  38  17 o 50.026  6.0145  325.939    71.544   225.605    107.817  404.877    95.632   38.580  10.988  54.947  7.3576  -16.36734      13.22361 
1 1 1 -9  38  18 o 40.123  8.3974  225.717    79.129   391.048    186.087  189.224    87.427   46.909  14.700  35.871  9.7771  11.03836       17.65433 
1 1 1 -9  38  19 o 28.991  8.0130  117.904    58.246   96.945     92.673   131.590    74.886   27.227  10.275  30.200  9.3025  -2.973352      13.86015 
1 1 1 -9  38  20 o 22.055  7.9363  60.465     54.191   -9.9720    84.131   110.412    70.845   19.482  8.7054  27.941  9.1041  -8.459253      12.59638 
1 1 1 -9  38  21 o 33.026  11.315  166.717    109.227  0.0000     0.0000   166.717    109.227  ?       ?       33.026  11.315  0.000000       11.31531 
1 1 1 -9  38  22 o 29.544  11.120  121.853    108.384  0.0000     0.0000   121.853    108.384  ?       ?       29.544  11.120  0.000000       11.11964 
1 1 1 -9  38  23 f 49.856  7.0315  333.816    82.699   329.913    110.871  338.711    124.162  47.379  9.9604  47.051  11.062  0.3278313      14.88536 
1 1 1 -9  38  24 o 20.442  9.0084  2.9629     86.998   -4.3942    91.094   79.283     293.398  20.445  9.1029  33.071  15.334  -12.62594      17.83230 
1 1 1 -9  38  25 o 21.905  9.5357  18.117     94.855   16.629     101.048  29.151     275.175  22.334  9.7790  31.124  14.570  -8.789345      17.54715 
1 1 1 -9  38  26 o 49.286  9.1177  352.432    105.021  361.083    111.975  289.190    302.738  49.383  9.6910  37.589  16.672  11.79451       19.28414 
1 1 1 -9  39  1  o 46.619  5.1008  272.995    56.757   287.431    78.517   257.195    82.140   47.140  7.0835  44.197  7.9518  2.943188       10.64927 
1 1 1 -9  39  2  o 77.298  4.7752  743.190    89.123   754.391    127.545  732.502    124.585  76.865  6.9126  75.767  6.8509  1.097702       9.732355 
1 1 1 -9  39  3  o 59.449  5.3036  443.618    75.700   541.365    110.633  357.565    103.805  64.883  7.1458  51.952  8.5310  12.93161       11.12834 
1 1 1 -9  39  4  o 71.518  4.9945  638.750    86.126   678.914    120.716  597.110    122.915  72.817  6.9153  67.891  7.5915  4.925491       10.26899 
1 1 1 -9  39  5  o 34.098  7.7046  154.875    62.242   193.937    91.041   120.594    85.288   37.468  9.8748  30.243  9.9956  7.225737       14.05076 
1 1 1 -9  39  6  o 57.463  5.7464  418.271    79.047   495.439    116.204  351.808    107.843  61.455  7.9814  51.110  9.0261  10.34462       12.04877 
1 1 1 -9  39  7  o 106.386 4.6457  1405.85    119.922  1435.95    169.012  1375.34    170.185  106.094 6.5981  103.664 6.8037  2.430115       9.477608 
1 1 1 -9  39  8  o 48.886  8.0881  318.142    92.584   360.987    170.024  300.082    110.384  48.475  13.795  46.362  10.098  2.113140       17.09640 
1 1 1 -9  39  9  o 12.393  6.0637  -109.5182  60.940   -194.3973  129.217  -85.2403   69.108   18.406  8.9673  14.488  6.9323  3.917583       11.33449 
1 1 1 -9  39  10 o 68.573  6.9096  610.676    113.399  730.269    201.665  555.375    137.134  70.562  12.221  63.880  9.1051  6.682163       15.24016 
1 1 1 -9  39  11 o 49.703  7.7469  330.077    90.382   -5.3995    177.266  447.923    105.064  27.708  12.488  58.097  7.6382  -30.38915      14.63885 
1 1 1 -9  39  12 o 80.008  8.7179  869.386    166.503  869.386    166.503  0.0000     0.0000   80.008  8.7179  ?       ?       0.000000       8.717901 
1 1 1 -9  39  13 o 71.067  7.1558  666.294    121.716  666.294    121.716  0.0000     0.0000   71.067  7.1558  ?       ?       0.000000       7.155814 
1 1 1 -9  39  14 o 27.291  8.1497  102.661    58.093   62.583     93.651   127.728    74.064   24.989  10.061  30.045  9.2507  -5.056324      13.66713 
1 1 1 -9  39  15 o 40.736  6.8023  221.835    64.865   182.224    100.448  250.167    84.953   34.813  10.782  42.238  8.5819  -7.424911      13.78061 
1 1 1 -9  39  16 o 43.969  6.3857  255.954    66.136   164.969    101.598  322.858    87.122   33.068  10.909  48.663  7.6293  -15.59420      13.31184 
1 1 1 -9  39  17 o 19.725  8.1561  27.659     63.570   -70.3098   166.056  44.482     68.812   23.933  11.240  21.562  8.6439  2.370964       14.17939 
1 1 1 -9  39  18 o 28.646  8.1303  116.050    59.137   48.599     90.959   165.436    77.832   23.493  9.7386  33.597  9.2531  -10.10385      13.43358 
1 1 1 -9  39  19 o 65.087  6.1195  555.511    95.508   523.296    118.809  614.355    160.574  61.437  8.1727  63.951  10.728  -2.513912      13.48652 
1 1 1 -9  39  20 o 34.778  11.650  191.534    115.753  0.0000     0.0000   191.534    115.753  ?       ?       34.778  11.650  0.000000       11.64973 
1 1 1 -9  39  21 o 44.418  11.574  311.891    126.002  0.0000     0.0000   311.891    126.002  ?       ?       44.418  11.574  0.000000       11.57425 
1 1 1 -9  39  22 o 22.679  8.9123  55.882     71.768   33.082     98.074   82.166     105.302  23.041  9.8591  26.520  10.671  -3.479418      14.52847 
1 1 1 -9  39  23 o 33.055  11.246  170.175    107.878  81.528     116.286  717.549    288.960  26.891  11.066  56.365  18.388  -29.47405      21.46068 
1 1 1 -9  39  24 o 20.609  9.1977  -1.9734    93.597   -3.3847    99.468   8.9351     276.531  21.060  9.4342  30.264  14.302  -9.204506      17.13375 
1 1 1 -9  39  25 o 31.243  9.5049  147.615    78.482   96.456     98.096   238.598    130.819  26.759  10.447  37.212  12.383  -10.45348      16.20167 
1 1 1 -9  40  1  o 72.265  4.9067  651.916    85.526   704.021    122.608  602.534    119.362  74.123  6.8963  68.303  7.3159  5.819214       10.05391 
1 1 1 -9  40  2  o 85.119  4.7279  902.167    97.263   859.591    137.843  944.384    137.261  81.838  7.0093  86.050  6.6250  -4.211502      9.644734 
1 1 1 -9  40  3  o 29.303  8.1399  115.191    59.945   205.400    91.723   47.936     79.198   38.491  9.7963  23.452  9.3158  15.03845       13.51851 
1 1 1 -9  40  4  o 30.731  7.8991  127.003    59.224   192.560    89.305   75.539     79.126   37.221  9.7660  25.701  9.5345  11.52086       13.64855 
1 1 1 -9  40  5  o 74.232  5.9090  699.424    105.549  593.063    200.745  740.062    124.086  62.772  13.575  75.827  6.8171  -13.05556      15.19068 
1 1 1 -9  40  6  o 42.253  8.5864  242.590    85.028   251.643    150.584  238.352    103.024  40.842  13.271  40.992  10.355  -0.1499786     16.83302 
1 1 1 -9  40  7  o 14.127  6.7055  -67.7489   62.060   -245.6135  119.963  -2.7538    72.517   16.319  8.0832  19.016  8.3061  -2.697115      11.59009 
1 1 1 -9  40  8  o 13.225  6.3837  -88.2574   61.719   -128.1280  119.687  -73.8147   72.035   19.081  9.1280  15.307  7.2534  3.774424       11.65901 
1 1 1 -9  40  9  o 13.714  6.6419  -100.7528  68.162   8.8387     130.582  -141.7955  79.912   24.992  11.024  14.058  6.8919  10.93384       13.00085 
1 1 1 -9  40  10 o 30.891  7.9373  131.318    59.812   85.228     88.683   169.778    81.011   26.569  10.045  34.535  9.4110  -7.965519      13.76476 
1 1 1 -9  40  11 o 29.754  10.229  123.535    89.285   123.535    89.285   0.0000     0.0000   29.754  10.229  ?       ?       0.000000       10.22867 
1 1 1 -9  40  12 o 39.989  9.6631  231.769    92.717   231.769    92.717   0.0000     0.0000   39.989  9.6631  ?       ?       0.000000       9.663101 
1 1 1 -9  40  13 o 74.056  5.0328  698.140    89.897   711.891    126.667  684.185    127.605  73.001  7.2469  71.345  7.4826  1.655586       10.41661 
1 1 1 -9  40  14 o 36.504  7.7319  184.898    66.354   205.509    95.912   165.978    91.895   36.908  10.312  33.258  10.315  3.650524       14.58539 
1 1 1 -9  40  15 o 47.864  6.4243  304.330    72.726   449.970    108.876  186.992    97.726   56.995  8.1009  34.914  10.603  22.08062       13.34340 
1 1 1 -9  40  16 o 52.151  5.8749  356.392    73.046   420.945    107.517  301.053    99.548   54.805  8.3491  45.438  9.3412  9.366531       12.52860 
1 1 1 -9  40  17 o 25.413  9.0338  87.689     70.013   32.254     95.098   153.296    103.457  22.665  9.7036  31.638  11.003  -8.972197      14.67050 
1 1 1 -9  40  18 o 53.365  6.2223  376.759    79.057   265.390    103.235  534.688    122.935  41.767  10.261  61.701  8.4322  -19.93377      13.28087 
1 1 1 -9  40  19 o 36.113  11.462  208.811    112.812  0.0000     0.0000   208.811    112.812  ?       ?       36.113  11.462  0.000000       11.46209 
1 1 1 -9  40  20 o 23.148  9.9216  34.530     99.622   0.0000     0.0000   34.530     99.622   ?       ?       23.148  9.9216  0.000000       9.921608 
1 1 1 -9  40  21 o 25.759  9.8449  85.614     85.769   71.479     90.882   200.748    259.379  24.916  9.9531  35.076  15.501  -10.15971      18.42129 
1 1 1 -9  40  22 o 31.154  10.882  149.448    101.254  157.561    107.175  82.065     308.884  31.771  11.190  32.446  15.267  -0.6744614     18.92859 
1 1 1 -9  40  23 o 21.809  9.3098  32.033     87.078   35.128     90.839   -3.0349    305.773  22.281  9.5100  30.272  14.510  -7.990555      17.34874 
1 1 1 -9  40  24 o 30.767  9.3298  144.260    75.707   108.147    98.148   197.315    118.963  27.362  10.514  34.046  11.801  -6.684973      15.80513 
1 1 1 -9  41  1  o 119.549 7.0854  1838.88    204.612  2677.92    261.289  508.592    329.006  143.831 7.5130  52.352  19.438  91.47839       20.83952 
1 1 1 -9  41  2  o 9.8884  4.9187  -112.0007  46.269   -102.4486  80.377   -116.7349  56.585   15.448  7.4137  11.482  5.6623  3.965933       9.328685 
1 1 1 -9  41  3  o 27.198  9.1608  96.400     71.579   119.598    153.947  90.002     80.850   32.338  12.941  26.955  9.6944  5.382668       16.16958 
1 1 1 -9  41  4  o 19.785  8.1294  24.552     62.636   -205.7345  137.510  84.839     70.358   18.896  9.2159  25.920  9.0704  -7.024057      12.93077 
1 1 1 -9  41  5  o 37.021  9.0231  190.814    80.315   298.283    166.695  158.325    91.654   43.360  13.951  33.420  10.291  9.939468       17.33612 
1 1 1 -9  41  6  o 55.108  7.4543  402.691    97.117   385.928    178.831  409.703    115.658  48.701  14.236  54.548  9.0559  -5.847328      16.87242 
1 1 1 -9  41  7  o 89.640  6.5631  1041.93    141.756  860.183    241.346  1137.66    175.153  73.694  14.009  92.393  7.8885  -18.69939      16.07757 
1 1 1 -9  41  8  o 73.143  5.1820  679.425    91.372   693.328    132.504  666.820    126.169  72.011  7.7029  70.814  7.4549  1.196991       10.71961 
1 1 1 -9  41  9  o 41.598  6.6190  229.439    64.570   175.864    89.586   287.362    93.151   34.647  10.061  45.310  8.7900  -10.66309      13.36007 
1 1 1 -9  41  10 o 29.241  10.215  120.328    89.225   120.328    89.225   0.0000     0.0000   29.241  10.215  ?       ?       0.000000       10.21534 
1 1 1 -9  41  11 o 16.296  7.6709  -63.5824   78.120   -63.5824   78.120   0.0000     0.0000   16.296  7.6709  ?       ?       0.000000       7.670945 
1 1 1 -9  41  12 o 48.264  6.2477  307.760    71.449   263.680    101.997  350.230    100.117  41.946  10.135  49.853  8.5865  -7.907005      13.28309 
1 1 1 -9  41  13 o 44.494  6.6962  266.111    70.053   242.013    101.242  288.245    97.031   39.783  10.379  44.458  9.2941  -4.674274      13.93210 
1 1 1 -9  41  14 o 22.145  8.2983  59.446     60.232   140.716    93.472   1.7370     78.766   30.540  10.467  19.402  8.5596  11.13855       13.52169 
1 1 1 -9  41  15 o 34.246  8.5320  169.934    70.635   199.931    109.081  148.273    92.695   35.296  11.278  31.158  10.425  4.137470       15.35841 
1 1 1 -9  41  16 o 24.331  8.3720  80.883     59.820   50.582     98.406   98.643     75.338   23.866  10.029  26.488  9.3759  -2.621819      13.72883 
1 1 1 -9  41  17 o 44.477  7.1962  271.138    75.007   252.546    99.033   296.155    114.874  40.702  10.080  43.406  10.917  -2.704014      14.85942 
1 1 1 -9  41  18 o 37.727  11.481  230.796    114.492  0.0000     0.0000   230.796    114.492  ?       ?       37.727  11.481  0.000000       11.48078 
1 1 1 -9  41  19 o 41.953  16.990  405.208    268.815  0.0000     0.0000   405.208    268.815  ?       ?       41.953  16.990  0.000000       16.99049 
1 1 1 -9  41  20 o 37.904  11.169  231.541    109.686  231.541    109.686  0.0000     0.0000   37.904  11.169  ?       ?       0.000000       11.16910 
1 1 1 -9  41  21 o 24.048  9.5496  68.729     83.202   70.054     87.626   56.591     265.200  24.371  9.7598  30.410  14.257  -6.038361      17.27759 
1 1 1 -9  41  22 o 29.894  9.0782  134.731    71.641   129.147    94.474   142.287    109.898  28.984  10.472  30.012  11.216  -1.028936      15.34505 
1 1 1 -9  42  1  o 63.016  6.7219  514.901    101.194  533.731    182.565  506.551    121.580  59.322  13.039  61.453  8.3716  -2.130772      15.49519 
1 1 1 -9  42  2  o 35.807  8.9016  178.374    77.007   66.358     152.656  216.607    89.186   29.207  12.393  39.232  9.4757  -10.02444      15.60065 
1 1 1 -9  42  3  o 54.770  7.2522  396.283    94.008   277.326    176.130  443.672    111.167  41.427  14.359  57.362  8.2222  -15.93548      16.54669 
1 1 1 -9  42  4  o 71.265  6.6013  660.737    112.851  834.404    204.079  584.242    135.444  75.411  11.519  65.364  8.7604  10.04768       14.47139 
1 1 1 -9  42  5  o 72.095  5.2629  661.071    91.429   696.276    136.104  632.119    123.424  71.979  7.9242  68.896  7.5046  3.083168       10.91380 
1 1 1 -9  42  6  o 85.478  4.9363  924.833    101.945  873.684    146.957  972.281    141.540  80.851  7.5795  86.048  6.8354  -5.197342      10.20649 
1 1 1 -9  42  7  o 51.874  6.1801  351.952    76.257   422.307    115.431  297.469    101.579  54.848  8.9848  45.486  9.5097  9.361137       13.08285 
1 1 1 -9  42  8  o 11.182  5.4874  -94.2888   51.042   -19.5664   85.338   -135.9096  63.690   19.153  8.6454  11.871  5.8819  7.281719       10.45660 
1 1 1 -9  42  9  o 57.581  8.3051  460.827    112.679  460.827    112.679  0.0000     0.0000   57.581  8.3051  ?       ?       0.000000       8.305072 
1 1 1 -9  42  10 o 45.070  9.2051  294.817    97.263   294.817    97.263   0.0000     0.0000   45.070  9.2051  ?       ?       0.000000       9.205050 
1 1 1 -9  42  11 o 13.337  6.2343  -39.1707   50.073   -145.3225  79.730   29.969     64.346   13.696  6.7479  19.844  8.2056  -6.148167      10.62391 
1 1 1 -9  42  12 o 54.499  5.7696  389.792    75.134   338.566    105.496  442.520    107.033  47.931  9.4069  56.191  8.0829  -8.259773      12.40251 
1 1 1 -9  42  13 o 14.946  6.8161  -22.7577   54.726   26.609     93.853   -48.1898   67.363   22.050  9.5416  15.390  7.2057  6.659810       11.95677 
1 1 1 -9  42  14 o 41.357  7.4782  238.303    72.282   285.317    114.356  207.023    93.278   42.234  11.037  36.520  10.157  5.713505       14.99928 
1 1 1 -9  42  15 o 41.361  7.2420  236.578    70.032   244.242    108.231  231.059    91.853   39.008  10.974  38.982  9.7390  0.2619553E-01  14.67212 
1 1 1 -9  42  16 o 33.301  8.0039  158.922    63.872   103.946    96.166   202.318    85.439   27.295  10.426  36.587  9.5296  -9.291489      14.12518 
1 1 1 -9  42  17 o 30.224  14.185  41.131     263.666  0.0000     0.0000   41.131     263.666  ?       ?       30.224  14.185  0.000000       14.18451 
1 1 1 -9  42  18 o 24.020  11.691  -169.5475  218.095  0.0000     0.0000   -169.5475  218.095  ?       ?       24.020  11.691  0.000000       11.69110 
1 1 1 -9  42  19 f 21.123  9.0802  26.293     83.884   26.293     83.884   0.0000     0.0000   21.123  9.0802  ?       ?       0.000000       9.080227 
1 1 1 -9  42  20 o 15.968  7.2422  -17.7347   60.719   -49.4928   78.876   28.460     95.129   16.635  7.7913  21.990  9.5610  -5.355433      12.33355 
1 1 1 -9  42  21 o 19.652  8.1631  32.496     64.096   21.353     83.370   48.604     100.233  20.520  8.9362  23.258  9.9599  -2.737703      13.38113 
1 1 1 -9  43  1  o 15.654  7.1137  -26.0016   58.949   -107.9809  131.916  -5.5462    65.895   20.680  9.8042  17.858  7.8560  2.821909       12.56342 
1 1 1 -9  43  2  f 24.056  8.3501  74.321     59.570   98.693     91.621   56.474     78.403   27.678  10.261  23.540  9.2947  4.137928       13.84516 
1 1 1 -9  43  3  o 19.419  7.8655  29.640     57.619   53.813     91.812   13.934     74.008   24.221  9.8845  19.977  8.5567  4.244310       13.07367 
1 1 1 -9  43  4  o 29.160  8.1897  119.066    60.332   74.978     98.040   145.939    76.542   25.968  10.349  31.813  9.3177  -5.845348      13.92559 
1 1 1 -9  43  5  o 66.081  5.4448  561.681    86.524   569.598    128.812  555.172    116.796  64.075  8.4945  63.968  7.6783  0.1074257      11.45049 
1 1 1 -9  43  6  o 48.182  6.5441  308.839    74.526   320.121    116.130  300.938    97.177   45.967  10.625  45.804  9.0646  0.1630516      13.96608 
1 1 1 -9  43  7  o 12.204  5.8734  -67.6443   51.279   -27.1613   92.360   -85.6844   61.655   19.378  8.8440  13.118  6.3443  6.260131       10.88421 
1 1 1 -9  43  8  o 25.820  10.467  77.100     102.127  77.100     102.127  0.0000     0.0000   25.820  10.467  ?       ?       0.000000       10.46694 
1 1 1 -9  43  9  o 20.474  8.7189  24.574     76.045   24.574     76.045   0.0000     0.0000   20.474  8.7189  ?       ?       0.000000       8.718939 
1 1 1 -9  43  10 f 16.289  7.2239  -5.7688    56.822   -46.6822   84.427   28.110     76.827   17.496  8.1506  20.714  8.7908  -3.217661      11.98791 
1 1 1 -9  43  11 o 16.950  7.2921  8.7035     54.176   -77.5282   91.140   55.822     67.371   17.006  8.0877  22.061  8.6456  -5.055357      11.83881 
1 1 1 -9  43  12 o 21.408  8.0642  55.948     57.028   49.848     86.274   60.681     75.999   22.807  9.4718  22.963  9.1243  -0.1560535     13.15174 
1 1 1 -9  43  13 o 32.471  8.6065  155.748    68.903   159.980    108.613  152.898    89.135   31.512  11.247  31.284  10.213  0.2276669      15.19160 
1 1 1 -9  43  14 o 44.235  7.1590  270.434    74.213   205.300    114.300  317.906    97.579   35.036  11.571  46.501  8.9733  -11.46544      14.64276 
1 1 1 -9  43  15 o 36.824  10.628  216.613    100.232  231.913    108.189  123.922    266.288  37.711  11.087  31.879  14.720  5.832199       18.42821 
1 1 1 -9  43  16 o 27.553  13.153  -39.3937   245.799  0.0000     0.0000   -39.3937   245.799  ?       ?       27.553  13.153  0.000000       13.15323 
1 1 1 -9  43  17 o 27.261  13.101  -57.7563   252.857  0.0000     0.0000   -57.7563   252.857  ?       ?       27.261  13.101  0.000000       13.10071 
1 1 1 -9  43  18 o 26.681  8.1739  103.875    57.907   -0.3278    86.497   188.510    77.954   19.694  8.8116  35.271  9.0607  -15.57707      12.63886 
1 1 1 -9  43  19 o 29.816  8.4504  133.274    63.934   47.319     91.799   214.236    89.093   22.645  9.6098  36.807  9.8012  -14.16163      13.72631 
1 1 1 -9  44  1  o 24.573  8.2627  80.754     58.232   191.449    94.376   12.703     73.997   35.780  10.308  19.805  8.5214  15.97474       13.37456 
1 1 1 -9  44  2  o 27.515  8.2855  106.254    59.861   106.865    94.077   105.838    77.596   28.033  10.397  27.558  9.5321  0.4750290      14.10531 
1 1 1 -9  44  3  o 24.678  8.3354  82.566     59.263   68.323     93.996   91.963     76.350   25.020  10.077  26.116  9.4175  -1.096657      13.79252 
1 1 1 -9  44  4  o 72.659  5.2153  678.791    91.333   823.715    134.399  554.433    124.498  78.188  7.1638  62.961  8.3558  15.22721       11.00637 
1 1 1 -9  44  5  o 51.316  6.4653  351.690    78.714   348.224    118.663  354.412    105.188  47.665  10.540  49.435  9.1048  -1.769974      13.92798 
1 1 1 -9  44  6  o 17.983  7.5449  18.953     55.564   -80.0707   97.916   65.986     67.481   17.708  8.4104  23.080  8.7536  -5.371605      12.13920 
1 1 1 -9  44  7  o 49.091  10.011  366.383    115.204  366.383    115.204  0.0000     0.0000   49.091  10.011  ?       ?       0.000000       10.01094 
1 1 1 -9  44  8  o 25.377  10.379  76.777     101.508  76.777     101.508  0.0000     0.0000   25.377  10.379  ?       ?       0.000000       10.37900 
1 1 1 -9  44  9  o 14.522  6.6164  -20.4455   51.418   -47.4703   81.740   -2.7499    66.143   17.062  7.9720  17.545  7.7868  -0.4828587     11.14398 
1 1 1 -9  44  10 o 17.525  7.4153  16.574     54.408   -118.7559  90.166   94.066     68.229   15.506  7.5400  25.587  8.9333  -10.08157      11.68997 
1 1 1 -9  44  11 f 16.801  7.3532  2.7491     57.082   -51.7800   94.693   33.874     71.541   18.213  8.5325  20.495  8.5778  -2.281672      12.09887 
1 1 1 -9  44  12 o 29.958  8.6513  133.800    66.403   101.536    104.224  155.844    86.152   26.967  10.695  31.487  10.019  -4.519854      14.65448 
1 1 1 -9  44  13 o 32.010  11.377  169.251    111.048  139.694    120.496  335.869    286.089  29.823  11.597  37.246  16.377  -7.423639      20.06754 
1 1 1 -9  44  14 o 39.822  11.034  260.353    110.294  205.012    120.399  549.120    275.025  34.521  11.877  45.588  17.578  -11.06717      21.21430 
1 1 1 -9  44  15 o 24.176  11.856  -185.4148  237.096  0.0000     0.0000   -185.4148  237.096  ?       ?       24.176  11.856  0.000000       11.85624 
1 1 1 -9  44  16 o 31.959  14.761  165.911    268.046  0.0000     0.0000   165.911    268.046  ?       ?       31.959  14.761  0.000000       14.76118 
1 1 1 -9  44  17 o 35.399  7.8476  182.551    65.636   254.125    97.497   123.226    88.763   39.840  10.078  28.051  10.148  11.78860       14.30243 
1 1 1 -9  44  18 o 12.665  5.9813  -42.1286   48.218   -93.4305   76.070   -7.6729    62.341   14.458  7.0061  16.549  7.4371  -2.090552      10.21745 
1 1 1 -9  45  1  o 14.575  6.5608  -15.1427   48.753   -10.0323   85.803   -17.5790   59.245   19.485  8.7431  15.956  7.2028  3.529352       11.32794 
1 1 1 -9  45  2  o 47.191  6.1530  295.937    68.779   385.693    103.642  225.302    91.941   52.079  8.4946  38.571  9.8032  13.50840       12.97154 
1 1 1 -9  45  3  o 52.416  6.1854  365.684    77.152   415.507    114.332  324.027    104.542  53.311  9.1692  46.595  9.5671  6.716057       13.25156 
1 1 1 -9  45  4  o 47.659  6.7044  308.546    75.386   278.805    118.605  328.705    97.648   41.090  11.462  47.496  8.7972  -6.405720      14.44912 
1 1 1 -9  45  5  o 35.481  8.1692  182.772    68.875   234.050    109.894  149.599    88.390   37.591  11.205  30.899  10.174  6.692070       15.13495 
1 1 1 -9  45  6  f 27.992  10.975  115.709    108.612  115.709    108.612  0.0000     0.0000   27.992  10.975  ?       ?       0.000000       10.97532 
1 1 1 -9  45  7  o 17.327  8.1693  -59.2166   89.248   -59.2166   89.248   0.0000     0.0000   17.327  8.1693  ?       ?       0.000000       8.169318 
1 1 1 -9  45  8  f 14.697  6.7317  -23.2748   54.149   -14.9046   85.309   -28.9227   70.076   18.799  8.5487  16.475  7.5874  2.323708       11.43015 
1 1 1 -9  45  9  o 15.884  7.0325  -3.2835    53.624   63.516     85.784   -46.1269   68.701   23.444  9.5595  15.486  7.2590  7.958489       12.00321 
1 1 1 -9  45  10 o 16.637  7.2493  5.0276     54.932   10.646     85.502   1.0785     71.683   20.118  8.8949  18.274  8.1086  1.844734       12.03614 
1 1 1 -9  45  11 o 21.961  9.6378  25.757     98.659   -13.2632   104.299  357.521    304.125  20.539  9.3832  36.873  16.509  -16.33451      18.98910 
1 1 1 -9  45  12 o 14.097  6.9454  -144.8335  84.456   -150.0322  88.479   -91.5336   283.307  14.423  7.1067  27.181  13.250  -12.75742      15.03571 
1 1 1 -9  45  13 o 23.798  9.6690  67.643     87.367   88.302     92.705   -96.4164   261.247  25.494  10.094  26.328  12.810  -0.8338051     16.30888 
1 1 1 -9  45  14 o 26.036  12.642  -83.3880   251.019  0.0000     0.0000   -83.3880   251.019  ?       ?       26.036  12.642  0.000000       12.64208 
1 1 1 -9  45  15 f 20.184  8.6846  26.866     76.859   0.0000     0.0000   26.866     76.859   ?       ?       20.184  8.6846  0.000000       8.684649 
1 1 1 -9  45  16 o 25.048  8.3916  93.642     60.061   29.262     92.895   139.884    78.729   21.349  9.3611  29.473  9.5970  -8.123787      13.40641 
1 1 1 -9  46  1  o 93.697  4.9209  1129.98    111.484  1081.83    157.826  1177.93    157.500  88.537  7.4149  92.956  7.0351  -4.418617      10.22123 
1 1 1 -9  46  2  o 30.445  8.2215  136.167    62.159   238.521    100.559  72.876     79.075   38.560  10.476  23.959  9.3729  14.60085       14.05668 
1 1 1 -9  46  3  o 46.226  7.2713  298.806    78.863   344.175    144.791  279.671    94.035   43.445  12.841  42.939  9.2951  0.5062332      15.85235 
1 1 1 -9  46  4  o 36.264  8.4432  195.189    72.905   92.928     142.154  231.686    84.924   27.282  11.774  39.008  9.1334  -11.72554      14.90162 
1 1 1 -9  46  5  o 27.345  10.598  112.832    100.388  112.832    100.388  0.0000     0.0000   27.345  10.598  ?       ?       0.000000       10.59847 
1 1 1 -9  46  6  o 16.674  7.9896  -84.4471   92.540   -84.4471   92.540   0.0000     0.0000   16.674  7.9896  ?       ?       0.000000       7.989589 
1 1 1 -9  46  7  o 27.548  8.7740  114.931    66.059   82.591     104.296  136.596    85.365   25.327  10.458  29.275  10.003  -3.947678      14.47180 
1 1 1 -9  46  8  o 19.083  7.6290  37.343     53.440   49.690     80.493   27.612     71.461   22.035  9.1499  19.848  8.4522  2.187202       12.45632 
1 1 1 -9  46  9  o 22.816  9.7839  46.119     96.958   42.228     103.193  75.430     283.228  22.963  9.9710  29.680  14.155  -6.716608      17.31415 
1 1 1 -9  46  10 o 24.752  10.186  76.296     98.535   87.636     104.908  -8.6133    287.071  25.706  10.537  28.265  13.675  -2.558664      17.26330 
1 1 1 -9  46  11 o 22.498  9.6973  41.705     96.176   47.793     102.143  -5.8867    285.573  23.186  9.9937  28.191  13.639  -5.005106      16.90839 
1 1 1 -9  46  12 o 14.336  6.5880  -23.9022   52.449   -83.6406   85.094   12.698     66.606   15.861  7.6163  18.346  7.9885  -2.485479      11.03739 
1 1 1 -9  46  13 o 25.332  9.4884  95.143     78.733   0.0000     0.0000   95.143     78.733   ?       ?       25.332  9.4884  0.000000       9.488433 
1 1 1 -9  46  14 o 24.699  9.5367  89.273     81.042   0.0000     0.0000   89.273     81.042   ?       ?       24.699  9.5367  0.000000       9.536651 
1 1 1 -9  46  15 o 24.717  8.5217  93.189     61.993   176.229    92.079   24.339     83.843   31.834  10.379  20.176  8.8690  11.65730       13.65253 
1 1 1 -9  47  1  o 16.447  7.1101  8.0901     52.011   15.220     88.835   4.3713     64.157   20.525  9.0711  17.595  7.7457  2.930462       11.92816 
1 1 1 -9  47  2  o 15.747  7.0667  -9.0079    56.076   38.433     117.356  -23.0447   63.836   23.474  10.398  15.918  7.2977  7.556012       12.70303 
1 1 1 -9  47  3  o 17.625  7.7958  3.1015     65.745   48.739     103.632  -27.6385   85.052   23.194  10.032  18.001  8.3146  5.192692       13.02941 
1 1 1 -9  47  4  o 63.330  9.2743  611.584    138.291  611.584    138.291  0.0000     0.0000   63.330  9.2743  ?       ?       0.000000       9.274349 
1 1 1 -9  47  5  o 12.042  6.0861  -251.4094  86.445   -251.4094  86.445   0.0000     0.0000   12.042  6.0861  ?       ?       0.000000       6.086128 
1 1 1 -9  47  6  f 16.618  8.1384  -145.0803  110.547  -172.8694  122.626  -24.5053   255.432  17.041  8.3905  26.752  12.932  -9.711288      15.41521 
1 1 1 -9  47  7  o 16.869  8.2444  -139.4961  111.730  -160.0150  123.557  -47.4471   261.698  17.408  8.5417  26.547  12.894  -9.138416      15.46690 
1 1 1 -9  47  8  o 20.625  9.3020  4.5884     98.542   -84.8240   104.946  670.873    286.482  17.769  8.5126  47.094  17.994  -29.32544      19.90608 
1 1 1 -9  47  9  o 19.713  8.9509  -5.2010    93.080   -2.2877    98.502   -29.5005   284.478  20.279  9.2079  27.369  13.328  -7.089226      16.19911 
1 1 1 -9  47  10 o 36.306  7.9216  194.525    67.821   297.835    101.578  111.426    91.102   43.082  9.9220  26.764  10.166  16.31763       14.20543 
1 1 1 -9  47  11 o 21.617  8.1735  62.169     58.719   91.415     91.039   41.336     76.837   25.108  9.9833  20.942  8.8341  4.165255       13.33066 
1 1 1 -9  47  12 o 28.356  9.8121  132.673    82.225   0.0000     0.0000   132.673    82.225   ?       ?       28.356  9.8121  0.000000       9.812057 
1 1 1 -9  47  13 o 19.702  8.5422  28.007     75.511   0.0000     0.0000   28.007     75.511   ?       ?       19.702  8.5422  0.000000       8.542186 
1 1 1 -9  48  1  o 33.877  7.7582  169.331    62.399   102.862    100.707  210.751    79.499   26.160  10.468  36.811  8.9804  -10.65069      13.79201 
1 1 1 -9  48  2  o 40.487  7.9304  241.589    75.120   327.388    110.985  169.051    102.048  44.439  10.466  31.127  10.922  13.31215       15.12676 
1 1 1 -9  48  3  o 22.069  10.098  7.7690     121.426  7.7690     121.426  0.0000     0.0000   22.069  10.098  ?       ?       0.000000       10.09833 
1 1 1 -9  48  4  o 38.343  12.876  293.358    141.414  293.358    141.414  0.0000     0.0000   38.343  12.876  ?       ?       0.000000       12.87630 
1 1 1 -9  48  5  o 29.563  11.813  154.396    128.051  136.775    143.230  224.560    285.809  28.605  12.064  31.733  14.853  -3.127892      19.13480 
1 1 1 -9  48  6  o 30.488  12.052  169.793    131.957  -45.6233   147.058  1060.05    298.956  21.824  10.348  63.406  18.370  -41.58169      21.08416 
1 1 1 -9  48  7  o 29.344  11.421  150.005    116.951  175.082    127.330  14.732     295.734  30.835  11.940  27.844  13.565  2.991131       18.07187 
1 1 1 -9  48  8  o 19.356  7.8289  39.578     56.998   -3.3567    89.763   68.585     73.781   19.342  8.7853  22.764  9.0076  -3.422112      12.58244 
1 1 1 -9  48  9  o 29.711  8.4082  136.708    63.345   31.728     93.798   224.732    85.890   21.311  9.3739  37.294  9.4732  -15.98329      13.32704 
1 1 1 -9  48  10 o 22.337  8.3863  70.760     61.574   96.529     91.513   49.443     83.234   25.106  10.001  21.594  9.1563  3.512093       13.55930 
1 1 1 -9  48  11 o 19.431  8.4482  26.870     74.275   0.0000     0.0000   26.870     74.275   ?       ?       19.431  8.4482  0.000000       8.448224 
1 1 1 -9  49  1  o 34.058  11.776  220.527    118.425  276.098    135.066  35.768     246.275  37.072  12.583  26.853  12.911  10.21872       18.02852 
1 1 1 -9  49  2  o 26.734  11.186  112.118    121.615  112.118    121.615  0.0000     0.0000   26.734  11.186  ?       ?       0.000000       11.18617 
1 1 1 -9  49  3  o 33.238  12.538  222.792    137.951  222.792    137.951  0.0000     0.0000   33.238  12.538  ?       ?       0.000000       12.53752 
1 1 1 -9  49  4  o 22.541  10.224  24.450     121.063  77.219     134.247  -205.3275  280.135  25.327  11.174  24.107  12.009  1.219584       16.40389 
1 1 1 -9  49  5  o 49.580  7.3736  354.538    86.004   366.124    126.000  344.432    117.681  45.355  11.448  44.623  10.951  0.7314224      15.84232 
1 1 1 -9  49  6  o 14.542  6.8054  -36.3705   59.970   -93.8944   93.928   3.2160     77.919   16.192  7.8308  18.532  8.3226  -2.340405      11.42745 
1 1 1 -9  49  7  o 48.210  6.8014  329.970    77.351   233.902    106.056  439.151    113.063  35.763  11.080  52.843  9.1492  -17.08055      14.36887 
1 1 1 -9  49  8  o 30.564  8.5423  148.477    65.807   255.014    96.711   56.618     89.802   38.470  10.196  22.189  9.4628  16.28057       13.91078 
1 1 1 -9  49  9  o 14.541  6.8499  -39.7840   62.495   141.362    160.960  -71.9387   67.815   27.379  12.150  13.895  6.7033  13.48382       13.87607 
1 1 1 -9  50  1  o 29.134  11.836  159.498    130.897  159.498    130.897  0.0000     0.0000   29.134  11.836  ?       ?       0.000000       11.83585 
1 1 1 -9  50  2  o 20.784  9.4153  13.562     102.258  13.562     102.258  0.0000     0.0000   20.784  9.4153  ?       ?       0.000000       9.415339 
1 1 1 -9  50  3  o 41.534  8.0557  260.270    78.255   342.881    117.205  193.821    105.117  44.047  11.000  32.310  11.099  11.73700       15.62623 
1 1 1 -9  50  4  o 16.978  7.5907  1.1876     64.061   4.0714     101.971  -0.6926    82.337   20.239  9.2583  18.567  8.4259  1.671864       12.51845 
1 1 1 -9  50  5  o 33.433  9.0771  182.987    75.530   113.016    109.303  246.931    104.490  26.029  10.722  36.654  10.926  -10.62558      15.30841 
1 1 1 -9  50  6  o 32.398  9.2248  175.674    76.005   224.495    114.890  137.680    101.353  33.425  11.597  27.499  10.652  5.926565       15.74611 
1 1 1 -9  50  7  o 29.351  10.486  161.851    94.450   18.026     195.206  205.814    107.925  23.880  11.485  32.085  11.233  -8.205009      16.06506 
1 1 1 -9  51  1  f 31.596  11.117  190.947    105.766  190.947    105.766  0.0000     0.0000   31.596  11.117  ?       ?       0.000000       11.11710 
1 1 1 -9  51  2  f 19.586  8.3446  36.126     69.709   27.443     106.468  42.642     92.226   21.289  9.6288  21.302  9.3342  -0.1281738E-01 13.41052 
1 1 1 -9  51  3  o 21.818  8.7689  66.250     71.013   118.848    105.787  23.107     95.809   26.018  10.613  20.390  9.1862  5.627857       14.03646 
1 1 1 -9  51  4  o 19.950  8.6975  35.725     79.169   192.150    165.074  -11.0026   90.222   28.766  12.549  18.359  8.5093  10.40707       15.16235 
1 1 1 -9  51  5  o 42.004  10.101  313.477    101.682  419.026    208.017  280.339    116.556  35.697  14.757  36.781  11.648  -1.084141      18.80001 
1 1 1 -9  52  1  o 15.357  7.1649  -26.5621   65.640   63.761     160.056  -44.8249   71.971   23.915  11.168  15.242  7.2306  8.672969       13.30421 
1 1 1 -9  52  2  o 16.194  7.5561  -23.1417   73.037   -220.9188  155.195  33.123     82.777   17.412  8.7143  19.770  8.7459  -2.358257      12.34621 
1 1 1 -9  52  3  o 23.517  9.5716  94.017     85.804   347.068    183.921  23.618     97.008   33.268  13.824  19.886  9.0711  13.38231       16.53457 
1 1 1 -9  53  1  o 27.052  9.7588  142.104    81.995   154.702    217.740  140.023    88.511   25.234  12.134  26.498  10.031  -1.264013      15.74362 
1 1 1 -8  -59 33 o 18.265  7.9558  47.519     66.112   57.602     107.021  41.297     84.071   19.681  9.1710  18.472  8.4333  1.208820       12.45908 
1 1 1 -8  -58 23 o 21.461  9.3443  91.122     91.125   -309.1568  263.826  145.344    97.101   ?       ?       24.580  10.113  0.000000       10.11337 
1 1 1 -8  -58 24 o 21.681  9.3566  92.511     89.760   236.298    249.973  71.227     96.174   23.855  11.789  20.565  9.2401  3.289871       14.97901 
1 1 1 -8  -58 25 o 16.577  7.8678  -14.7194   85.417   -486.1311  251.152  46.940     90.831   ?       ?       19.402  8.8222  0.000000       8.822202 
1 1 1 -8  -58 26 o 18.037  8.4644  10.151     93.865   246.024    221.033  -41.7451   103.678  24.851  12.017  16.865  8.1741  7.986143       14.53360 
1 1 1 -8  -58 27 o 23.380  10.003  119.491    100.941  236.694    227.514  90.766     112.634  24.715  12.009  21.860  9.8941  2.854641       15.55966 
1 1 1 -8  -58 28 f 17.100  8.0705  -7.9210    87.522   309.065    227.790  -62.8219   94.799   26.267  12.573  15.801  7.6942  10.46653       14.74029 
1 1 1 -8  -58 29 o 20.233  9.1364  56.814     95.409   -72.7680   214.928  88.616     106.475  20.195  10.129  21.877  9.7833  -1.681765      14.08195 
1 1 1 -8  -58 30 o 21.178  9.0250  77.434     81.579   105.029    222.927  73.167     87.659   22.801  11.243  20.975  9.1480  1.825315       14.49476 
1 1 1 -8  -58 31 o 18.338  8.2680  30.196     77.788   35.502     241.436  29.581     82.169   21.987  10.984  18.514  8.4077  3.473272       13.83244 
1 1 1 -8  -58 32 o 22.093  9.2348  90.621     82.771   51.318     230.905  96.416     88.663   22.141  11.009  22.427  9.4765  -0.2858582     14.52617 
1 1 1 -8  -58 33 o 28.127  8.7768  147.226    66.418   5.5695     104.652  242.766    85.945   18.589  8.7892  35.254  9.7292  -16.66495      13.11129 
1 1 1 -8  -58 34 o 19.981  8.3578  61.851     67.858   36.400     109.781  77.587     86.324   19.880  9.2722  21.283  9.1804  -1.402540      13.04811 
1 1 1 -8  -58 35 o 13.612  6.5932  -59.5074   67.214   -48.2100   98.189   -69.4695   92.204   16.530  7.9974  15.508  7.5597  1.022177       11.00488 
1 1 1 -8  -58 36 o 16.202  7.7725  -36.5854   88.144   -36.5854   88.144   0.0000     0.0000   16.202  7.7725  ?       ?       0.000000       7.772547 
1 1 1 -8  -58 37 f 28.099  11.041  198.641    110.139  198.641    110.139  0.0000     0.0000   28.099  11.041  ?       ?       0.000000       11.04125 
1 1 1 -8  -58 38 o 17.404  8.1729  -1.6193    87.768   -10.7646   97.307   38.284     203.258  17.607  8.3686  21.591  10.663  -3.983818      13.55492 
1 1 1 -8  -58 39 o 18.481  8.0550  41.607     67.867   18.594     97.557   63.189     94.475   18.649  8.7123  20.494  9.1867  -1.845074      12.66095 
1 1 1 -8  -58 40 o 25.717  10.650  163.579    108.618  148.655    127.482  203.110    207.479  24.248  10.784  24.420  11.767  -0.1717663     15.96121 
1 1 1 -8  -58 41 f 19.412  9.0105  37.160     101.708  42.149     118.316  23.036     199.069  20.051  9.4391  21.048  10.423  -0.9969082     14.06215 
1 1 1 -8  -58 42 o 16.663  8.0696  -41.0973   100.546  -61.1561   114.221  27.952     211.921  16.900  8.2757  21.144  10.519  -4.244673      13.38421 
1 1 1 -8  -57 19 o 13.352  6.3808  -39.3442   58.164   -42.2569   86.050   -36.8939   78.924   15.797  7.6038  15.431  7.3899  0.3656502      10.60321 
1 1 1 -8  -57 20 o 25.708  8.9266  126.320    68.082   238.126    101.497  34.862     91.798   32.214  10.908  19.199  8.7833  13.01446       14.00483 
1 1 1 -8  -57 21 f 13.742  6.4982  -30.1037   57.232   54.265     81.700   -111.4005  80.198   19.940  8.7603  13.436  6.6470  6.504671       10.99661 
1 1 1 -8  -57 22 o 19.523  8.1554  54.663     64.490   -30.8836   96.456   123.819    86.725   17.102  8.1848  24.651  9.7620  -7.548447      12.73921 
1 1 1 -8  -57 23 o 28.282  9.0633  149.602    70.404   172.605    104.818  130.692    95.033   27.349  10.763  24.951  10.103  2.397505       14.76217 
1 1 1 -8  -57 24 o 32.015  9.0695  186.949    73.661   160.414    108.555  209.594    100.281  26.458  10.767  30.698  10.822  -4.239510      15.26611 
1 1 1 -8  -57 25 o 19.046  8.5515  32.724     82.218   -120.4856  216.265  58.609     88.893   20.340  10.196  20.684  9.1111  -0.3443375     13.67338 
1 1 1 -8  -57 26 o 22.705  8.6424  89.512     65.928   144.809    97.313   42.600     89.632   26.111  10.341  19.920  8.9373  6.191050       13.66768 
1 1 1 -8  -57 27 o 17.070  7.5255  20.291     60.777   73.308     86.892   -30.4922   85.042   21.579  9.2580  16.515  7.8421  5.063473       12.13293 
1 1 1 -8  -57 28 o 28.547  9.0856  149.641    70.845   106.434    102.330  189.414    98.180   23.650  10.094  29.583  10.677  -5.933191      14.69335 
1 1 1 -8  -57 29 o 28.626  9.0302  149.339    70.102   154.744    103.289  144.723    95.454   26.683  10.626  26.340  10.300  0.3426666      14.79856 
1 1 1 -8  -57 30 o 19.668  8.6908  42.152     81.512   -198.1815  220.230  80.302     87.743   19.759  9.9539  22.107  9.3888  -2.347649      13.68317 
1 1 1 -8  -57 31 o 15.938  7.5681  -34.6945   79.212   103.145    216.436  -56.0129   85.118   24.037  11.687  15.690  7.5550  8.346682       13.91636 
1 1 1 -8  -57 32 o 19.521  8.6657  38.804     81.948   -167.7836  219.152  72.386     88.358   20.104  10.102  21.659  9.3152  -1.554287      13.74136 
1 1 1 -8  -57 33 o 26.512  10.294  145.562    94.828   0.0000     0.0000   145.562    94.828   ?       ?       26.512  10.294  0.000000       10.29382 
1 1 1 -8  -57 34 o 17.424  8.3147  -33.2591   98.028   -97.3741   200.075  -13.0061   112.450  20.485  10.196  18.922  8.9945  1.563278       13.59627 
1 1 1 -8  -57 35 f ?       ?       -378.9650  114.492  -378.9650  114.492  0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  -57 36 o 20.993  10.163  -2.4625    159.185  -2.4625    159.185  0.0000     0.0000   20.993  10.163  ?       ?       0.000000       10.16319 
1 1 1 -8  -57 37 o 21.179  8.6445  70.281     70.237   10.879     98.384   132.024    100.304  19.023  8.8405  25.325  10.333  -6.302038      13.59854 
1 1 1 -8  -57 38 o 19.024  7.9569  46.295     61.497   34.786     93.467   55.080     81.662   19.799  8.9819  20.414  8.8670  -0.6153488     12.62131 
1 1 1 -8  -57 39 o 26.930  8.9575  132.278    68.453   173.252    97.804   92.933     95.839   28.336  10.583  22.887  9.7685  5.448931       14.40215 
1 1 1 -8  -57 40 o 20.678  8.1395  66.888     59.954   134.017    95.941   23.878     76.795   25.472  10.208  18.358  8.2518  7.113962       13.12626 
1 1 1 -8  -57 41 o 26.128  8.2551  118.167    58.567   150.697    95.670   98.668     74.069   26.614  10.338  23.346  9.0883  3.268381       13.76467 
1 1 1 -8  -57 42 o 25.911  10.194  141.245    93.990   71.100     103.717  463.467    222.294  21.647  9.6699  32.521  14.362  -10.87395      17.31402 
1 1 1 -8  -57 43 o 19.868  9.2349  28.659     107.429  -69.3705   123.388  335.796    218.404  17.716  8.6597  28.609  13.253  -10.89322      15.83107 
1 1 1 -8  -57 44 o 17.689  8.9230  -227.8425  180.342  0.0000     0.0000   -227.8425  180.342  ?       ?       17.689  8.9230  0.000000       8.923005 
1 1 1 -8  -57 45 o 24.745  12.063  198.575    234.934  0.0000     0.0000   198.575    234.934  ?       ?       24.745  12.063  0.000000       12.06343 
1 1 1 -8  -57 46 o 17.530  7.4186  36.215     54.469   0.0000     0.0000   36.215     54.469   ?       ?       17.530  7.4186  0.000000       7.418643 
1 1 1 -8  -56 15 o 34.499  8.5413  208.454    71.119   203.326    106.943  212.520    95.228   29.048  11.019  31.101  10.566  -2.053087      15.26623 
1 1 1 -8  -56 16 o 25.911  8.9500  125.353    68.396   76.220     100.801  167.274    93.110   21.703  9.6236  27.778  10.335  -6.074842      14.12213 
1 1 1 -8  -56 17 o 29.011  8.9810  154.064    69.700   154.495    105.244  153.729    93.026   26.338  10.643  26.932  10.263  -0.5945168     14.78521 
1 1 1 -8  -56 18 o 17.056  7.3813  24.851     56.173   -14.3229   78.217   66.578     80.725   16.643  7.7836  21.072  8.9788  -4.429106      11.88292 
1 1 1 -8  -56 19 o 14.849  6.8128  -9.3312    55.777   -63.0815   77.126   49.602     80.759   14.753  7.1252  20.114  8.7761  -5.360222      11.30437 
1 1 1 -8  -56 20 o 25.092  8.6137  109.906    63.306   87.591     89.368   132.383    89.690   22.739  9.5560  25.894  10.023  -3.154928      13.84829 
1 1 1 -8  -56 21 o 15.832  6.9196  13.543     50.395   74.294     68.309   -59.0156   74.652   21.647  8.6349  14.716  7.0833  6.930951       11.16843 
1 1 1 -8  -56 22 o 22.678  8.4725  85.149     62.696   124.666    87.002   42.458     90.428   25.555  9.8772  20.298  9.0511  5.257002       13.39705 
1 1 1 -8  -56 23 o 13.344  6.3550  -43.3018   56.680   -77.8780   80.379   -9.1038    79.938   14.705  7.1434  17.221  7.9914  -2.515376      10.71870 
1 1 1 -8  -56 24 o 21.397  8.5297  70.214     66.614   47.681     94.778   92.212     93.644   20.818  9.2757  23.298  9.7860  -2.479992      13.48347 
1 1 1 -8  -56 25 o 16.418  7.4190  2.7168     63.042   -40.9990   90.652   43.659     87.729   16.855  8.0299  20.349  9.0028  -3.494310      12.06353 
1 1 1 -8  -56 26 o 18.818  8.0406  37.341     65.063   83.326     92.529   -7.6337    91.506   22.799  9.6598  18.185  8.4760  4.613710       12.85129 
1 1 1 -8  -56 27 o 16.230  7.3013  3.6657     60.260   26.518     82.575   -22.3699   88.139   19.207  8.6005  17.370  8.1677  1.836681       11.86089 
1 1 1 -8  -56 28 o 15.991  7.2081  1.5039     59.077   29.049     90.812   -18.7068   77.788   19.797  8.9288  16.696  7.7930  3.100685       11.85137 
1 1 1 -8  -56 29 o 33.703  8.2543  185.788    66.965   241.723    102.238  143.760    88.621   34.582  10.905  27.277  10.096  7.304680       14.86098 
1 1 1 -8  -56 30 o 15.918  7.2041  -0.9266    59.709   110.549    92.956   -79.2286   77.906   24.632  9.9858  14.477  7.0326  10.15514       12.21364 
1 1 1 -8  -56 31 o 14.379  6.7461  -29.5571   59.556   -6.3057    95.011   -44.6066   76.438   18.514  8.6317  15.531  7.3923  2.982036       11.36456 
1 1 1 -8  -56 32 o 19.072  7.9488  43.210     61.067   -41.6362   94.629   103.761    79.941   17.197  8.1959  24.301  9.4468  -7.104034      12.50662 
1 1 1 -8  -56 33 o 19.115  8.2839  35.892     70.946   93.287     94.266   -39.0942   107.747  23.518  9.8450  18.197  8.6928  5.320902       13.13354 
1 1 1 -8  -56 34 o 14.212  7.2166  -342.3243  131.939  -342.3243  131.939  0.0000     0.0000   14.212  7.2166  ?       ?       0.000000       7.216582 
1 1 1 -8  -56 35 o 24.395  11.396  96.071     166.867  96.071     166.867  0.0000     0.0000   24.395  11.396  ?       ?       0.000000       11.39586 
1 1 1 -8  -56 36 o 17.297  8.0973  -19.1921   85.000   -65.1373   153.423  1.1562     102.102  19.945  9.7288  19.254  8.9674  0.6902084      13.23118 
1 1 1 -8  -56 37 o 23.086  9.4099  87.835     83.081   134.389    164.918  72.002     96.177   25.586  11.730  22.295  9.6534  3.291157       15.19141 
1 1 1 -8  -56 38 o 17.683  8.0121  7.7116     74.096   2.3093     154.189  9.3337     84.492   21.540  10.319  18.510  8.4521  3.029791       13.33868 
1 1 1 -8  -56 39 o 17.631  7.5702  26.941     58.176   -9.2171    160.130  32.440     62.443   21.434  10.331  18.340  7.8577  3.094347       12.97965 
1 1 1 -8  -56 40 o 20.329  7.7368  60.863     52.830   84.263     90.296   48.684     65.144   22.877  9.6094  19.690  8.2083  3.187574       12.63795 
1 1 1 -8  -56 41 o 17.874  7.4831  33.823     54.469   24.534     95.036   38.366     66.469   19.790  9.0083  18.985  8.1199  0.8049984      12.12775 
1 1 1 -8  -56 42 o 14.729  6.7312  -9.5478    53.725   -42.9928   92.075   7.7173     66.155   16.904  8.0641  16.988  7.6452  -0.8392715E-01 11.11214 
1 1 1 -8  -56 43 o 22.988  8.1261  86.422     56.574   64.447     94.301   98.779     70.713   21.677  9.4700  23.899  8.9843  -2.222200      13.05369 
1 1 1 -8  -56 44 o 26.425  9.7011  132.103    81.542   0.0000     0.0000   132.103    81.542   ?       ?       26.425  9.7011  0.000000       9.701121 
1 1 1 -8  -56 45 o 27.088  12.787  227.500    219.893  0.0000     0.0000   227.500    219.893  ?       ?       27.088  12.787  0.000000       12.78682 
1 1 1 -8  -56 46 f 15.201  6.6870  9.2869     47.740   107.737    108.285  -14.4654   53.188   23.926  10.301  14.285  6.5899  9.641284       12.22888 
1 1 1 -8  -56 47 o 19.028  7.6896  49.537     54.935   83.113     115.424  39.705     62.463   22.616  10.145  18.587  7.9084  4.029915       12.86320 
1 1 1 -8  -56 48 o 22.491  8.1358  85.293     57.046   -39.3741   118.876  122.591    65.022   18.343  8.8558  26.084  8.7314  -7.740681      12.43629 
1 1 1 -8  -56 49 o 22.347  8.2380  85.601     58.888   294.612    124.524  25.393     66.834   34.180  12.059  17.702  7.8434  16.47798       14.38520 
1 1 1 -8  -55 12 o 19.433  8.0119  52.823     61.093   28.107     97.998   68.535     78.134   19.568  8.9971  21.047  8.8949  -1.479095      12.65173 
1 1 1 -8  -55 13 f 14.442  6.7764  -26.2225   60.129   124.705    95.413   -125.6488  77.442   24.994  10.122  12.991  6.4452  12.00356       12.00010 
1 1 1 -8  -55 14 o 43.117  7.4696  289.012    75.315   312.871    113.928  270.491    100.378  38.532  11.391  36.962  10.626  1.569687       15.57794 
1 1 1 -8  -55 15 o 27.066  8.8151  128.501    66.422   196.628    101.387  77.274     87.918   30.527  10.869  22.249  9.4209  8.277802       14.38368 
1 1 1 -8  -55 16 o 28.746  8.7801  142.971    66.872   79.847     97.580   198.869    91.826   22.685  9.7729  31.856  10.364  -9.171789      14.24514 
1 1 1 -8  -55 17 o 34.588  8.2071  194.074    67.841   197.914    93.376   189.781    98.731   31.745  10.457  30.524  10.741  1.221815       14.99067 
1 1 1 -8  -55 18 o 16.549  7.2737  13.307     56.378   69.159     78.780   -45.3218   80.716   21.768  9.0466  15.957  7.5952  5.810748       11.81216 
1 1 1 -8  -55 19 o 20.598  8.0425  61.177     58.136   24.429     79.191   104.131    85.617   19.033  8.4797  24.431  9.6918  -5.398026      12.87776 
1 1 1 -8  -55 20 o 17.612  7.5373  26.205     57.339   33.717     78.097   17.422     84.453   19.527  8.5723  19.032  8.5948  0.4955196      12.13896 
1 1 1 -8  -55 21 o 23.992  8.5137  94.559     62.157   63.764     85.474   129.122    90.552   21.712  9.2449  26.337  10.104  -4.625425      13.69508 
1 1 1 -8  -55 22 o 22.366  8.4728  78.293     63.174   101.877    86.240   50.980     92.805   24.354  9.7062  21.253  9.3368  3.101841       13.46796 
1 1 1 -8  -55 23 o 29.643  10.203  166.693    88.856   172.324    96.130   133.648    232.861  29.616  10.579  26.151  12.569  3.464926       16.42846 
1 1 1 -8  -55 24 o 18.108  7.7520  28.971     60.683   6.1823     81.707   57.004     90.621   18.330  8.3473  21.520  9.3441  -3.189535      12.52953 
1 1 1 -8  -55 25 o 13.380  6.3091  -35.5020   53.269   -115.2051  73.551   52.425     77.253   13.052  6.4400  20.702  8.8015  -7.650768      10.90594 
1 1 1 -8  -55 26 o 47.127  6.8219  326.161    75.739   233.977    105.927  422.587    108.336  33.989  11.135  50.414  9.1952  -16.42534      14.44097 
1 1 1 -8  -55 27 o 47.325  6.4051  322.470    71.661   309.581    104.151  334.057    98.751   41.100  10.427  44.288  9.4760  -3.187996      14.08977 
1 1 1 -8  -55 28 o 27.753  8.5031  128.366    62.663   83.089     86.540   178.271    90.856   23.031  9.5191  30.534  10.321  -7.503401      14.04031 
1 1 1 -8  -55 29 o 47.375  6.6895  327.483    74.758   242.790    113.104  393.192    99.623   33.945  11.515  49.404  8.6244  -15.45911      14.38659 
1 1 1 -8  -55 30 o 14.857  6.8823  -20.3426   58.903   60.872     91.160   -78.5562   77.179   21.760  9.4099  14.527  7.0436  7.232873       11.75410 
1 1 1 -8  -55 31 o 22.747  8.5436  82.083     63.920   8.6692     100.362  132.185    82.910   19.651  9.0609  26.919  9.7973  -7.267338      13.34492 
1 1 1 -8  -55 32 o 13.158  6.4371  -91.8096   68.616   -52.6045   89.923   -146.4527  106.161  16.601  7.9334  15.444  7.6417  1.157111       11.01516 
1 1 1 -8  -55 33 o 18.985  8.7695  0.7446     94.635   0.7446     94.635   0.0000     0.0000   18.985  8.7695  ?       ?       0.000000       8.769475 
1 1 1 -8  -55 34 o 49.420  9.3357  408.942    107.845  384.078    120.810  506.492    239.292  44.966  11.132  36.527  15.509  8.439468       19.09028 
1 1 1 -8  -55 35 o 25.904  9.2942  116.828    74.270   103.594    103.498  130.878    106.639  24.552  10.299  26.221  10.671  -1.668617      14.83067 
1 1 1 -8  -55 36 o 50.783  6.5653  373.005    79.004   324.343    117.843  412.733    106.478  40.345  11.486  50.016  9.1093  -9.671314      14.65977 
1 1 1 -8  -55 37 o 34.011  9.5878  203.653    82.530   116.618    173.225  229.210    93.868   25.616  11.844  35.133  10.327  -9.517515      15.71342 
1 1 1 -8  -55 38 o 21.277  8.5077  64.629     66.473   13.171     168.620  74.098     72.331   22.691  10.849  22.201  8.8755  0.4898319      14.01715 
1 1 1 -8  -55 39 o 25.226  9.3610  109.469    76.281   131.572    174.374  104.238    84.828   26.144  12.014  24.670  9.6911  1.474230       15.43515 
1 1 1 -8  -55 40 o 22.130  8.8530  73.097     72.017   -2.1886    169.071  89.784     79.600   22.358  10.736  23.557  9.3450  -1.198980      14.23343 
1 1 1 -8  -55 41 o 22.859  8.6649  82.391     66.097   -96.2777   155.966  121.505    72.974   19.753  9.6726  26.473  9.2389  -6.719677      13.37594 
1 1 1 -8  -55 42 o 30.395  10.108  171.846    87.166   0.0000     0.0000   171.846    87.166   ?       ?       30.395  10.108  0.000000       10.10791 
1 1 1 -8  -55 43 o 18.770  7.8442  37.986     59.697   0.0000     0.0000   37.986     59.697   ?       ?       18.770  7.8442  0.000000       7.844163 
1 1 1 -8  -55 44 o 10.508  5.1527  -72.5936   44.744   0.0000     0.0000   -72.5936   44.744   ?       ?       10.508  5.1527  0.000000       5.152736 
1 1 1 -8  -55 45 o 16.414  6.6148  28.616     40.530   17.508     89.762   31.460     45.424   19.414  8.8055  17.120  6.9656  2.294754       11.22749 
1 1 1 -8  -55 46 o 27.476  6.7091  112.981    44.341   159.423    93.486   99.500     50.367   28.631  10.406  25.089  7.6103  3.542028       12.89190 
1 1 1 -8  -55 47 o 34.596  8.1551  192.638    67.338   327.396    139.507  151.703    76.889   36.982  12.782  28.982  9.4864  8.000238       15.91740 
1 1 1 -8  -55 48 o 27.590  8.3829  127.557    61.076   158.966    123.792  117.452    70.216   27.101  11.308  25.860  9.0605  1.241610       14.49025 
1 1 1 -8  -55 49 o 46.377  7.0216  323.201    76.541   200.508    155.433  362.478    87.943   27.996  12.196  48.115  7.7998  -20.11941      14.47716 
1 1 1 -8  -55 50 o 17.372  7.3819  28.987     54.293   123.841    120.049  4.5973     60.875   24.873  10.777  16.256  7.3232  8.617052       13.02999 
1 1 1 -8  -55 51 o 19.708  7.8699  55.949     56.799   36.978     123.882  60.999     63.913   21.075  9.8360  20.346  8.2686  0.7289467      12.84978 
1 1 1 -8  -54 9  o 31.675  8.9044  177.057    71.288   350.603    104.064  23.605     97.854   43.570  10.049  19.588  9.0006  23.98182       13.49016 
1 1 1 -8  -54 10 o 21.560  8.3838  73.142     62.976   102.266    93.621   49.072     85.110   23.865  9.8854  20.458  8.9655  3.407503       13.34546 
1 1 1 -8  -54 11 o 20.757  8.3046  62.570     63.377   -112.1492  94.188   207.132    85.674   15.093  7.4162  33.468  9.8738  -18.37458      12.34873 
1 1 1 -8  -54 12 o 21.334  8.2429  68.536     60.578   28.357     93.393   97.718     79.593   20.036  9.0442  23.951  9.3942  -3.914953      13.04028 
1 1 1 -8  -54 13 o 20.838  8.3965  60.632     65.292   56.449     102.098  63.526     84.929   21.892  9.6973  21.705  9.2280  0.1868362      13.38633 
1 1 1 -8  -54 14 o 18.501  7.8701  32.579     61.833   -171.0329  92.515   196.963    83.126   13.743  6.8552  33.262  9.7012  -19.51863      11.87882 
1 1 1 -8  -54 15 o 40.191  7.3134  242.693    68.693   355.418    98.002   133.819    96.313   46.633  8.9871  26.786  10.381  19.84661       13.73098 
1 1 1 -8  -54 16 o 18.686  7.6753  39.249     55.809   65.226     78.086   12.123     79.793   21.781  9.0256  18.621  8.3868  3.159943       12.32071 
1 1 1 -8  -54 17 f 9.2314  4.6323  -116.6581  45.256   -91.9200   61.533   -145.8072  66.794   12.328  6.0447  11.535  5.7647  0.7930374      8.352834 
1 1 1 -8  -54 18 o 23.455  8.4339  87.124     61.189   57.799     83.694   120.797    89.683   21.526  9.1566  26.066  10.041  -4.540379      13.58931 
1 1 1 -8  -54 19 o 22.095  8.4191  73.390     62.607   18.150     85.505   137.232    91.922   19.363  8.7049  27.314  10.248  -7.951508      13.44623 
1 1 1 -8  -54 20 o 18.316  7.6941  32.774     57.897   65.079     80.956   -1.0449    82.832   21.897  9.1413  18.218  8.3378  3.678288       12.37265 
1 1 1 -8  -54 21 o 21.863  8.2939  71.480     60.589   89.679     82.428   50.090     89.363   23.690  9.4734  21.281  9.2597  2.408791       13.24715 
1 1 1 -8  -54 22 o 35.046  7.9935  192.347    66.469   178.485    92.040   207.456    96.093   30.806  10.388  33.087  10.587  -2.281305      14.83202 
1 1 1 -8  -54 23 f 27.478  8.6213  125.017    63.986   149.245    84.694   92.799     97.666   28.642  9.9556  24.069  10.044  4.572592       14.14179 
1 1 1 -8  -54 24 o 14.558  6.7027  -17.7687   54.638   16.944     74.513   -58.1416   80.358   18.506  8.2366  15.637  7.4800  2.869256       11.12617 
1 1 1 -8  -54 25 o 18.390  8.0752  21.479     69.349   22.945     77.005   15.186     159.536  19.035  8.4274  22.665  10.756  -3.629700      13.66432 
1 1 1 -8  -54 26 o 11.462  5.6436  -93.1796   55.469   -98.4756   59.790   -60.4611   148.612  11.893  5.8566  20.315  9.8309  -8.421075      11.44322 
1 1 1 -8  -54 27 o 30.226  8.3169  147.569    62.913   128.671    90.541   165.213    87.483   26.659  10.133  29.956  10.127  -3.296572      14.32593 
1 1 1 -8  -54 28 o 45.897  6.6380  304.203    71.777   359.243    103.937  254.023    99.242   46.181  9.5894  37.112  10.532  9.068890       14.24360 
1 1 1 -8  -54 29 o 16.169  7.1281  7.9796     54.524   -34.4075   85.253   37.318     70.926   16.995  8.0042  19.544  8.3741  -2.548613      11.58411 
1 1 1 -8  -54 30 o 36.836  7.7154  208.204    66.751   312.829    96.590   112.555    92.353   43.132  9.4872  25.428  10.073  17.70368       13.83706 
1 1 1 -8  -54 31 o 24.119  9.6530  94.568     85.660   94.568     85.660   0.0000     0.0000   24.119  9.6530  ?       ?       0.000000       9.652984 
1 1 1 -8  -54 32 o 41.449  9.8577  296.668    97.694   296.668    97.694   0.0000     0.0000   41.449  9.8577  ?       ?       0.000000       9.857697 
1 1 1 -8  -54 33 o 17.224  7.8043  -0.3474    70.300   -115.3808  113.570  71.107     89.509   16.882  8.2638  22.599  9.5338  -5.716766      12.61679 
1 1 1 -8  -54 34 o 24.627  8.9259  99.503     68.714   17.700     94.996   189.268    99.513   19.963  9.0558  31.269  10.796  -11.30668      14.09105 
1 1 1 -8  -54 35 o 29.654  8.7159  145.547    66.869   116.432    99.019   169.957    90.666   25.694  10.345  30.230  10.309  -4.536125      14.60472 
1 1 1 -8  -54 36 o 20.188  7.9191  54.814     56.568   41.368     99.660   61.205     68.708   21.349  9.5121  21.226  8.5920  0.1235199      12.81807 
1 1 1 -8  -54 37 o 24.875  8.0734  98.156     55.732   79.561     96.464   107.474    68.282   23.327  9.8722  25.447  8.9338  -2.119755      13.31438 
1 1 1 -8  -54 38 o 22.124  7.9502  74.057     54.364   58.761     90.029   82.836     68.203   21.890  9.4085  23.082  8.7893  -1.191689      12.87521 
1 1 1 -8  -54 39 o 22.373  8.2155  76.118     58.484   97.262     93.745   62.644     74.833   24.436  9.9819  21.584  8.8792  2.852013       13.35961 
1 1 1 -8  -54 40 o 24.765  8.8365  100.109    67.047   -147.8692  162.878  150.701    73.569   19.339  9.5500  29.697  9.2325  -10.35768      13.28313 
1 1 1 -8  -54 41 o 22.887  9.0543  79.206     74.535   0.0000     0.0000   79.206     74.535   ?       ?       22.887  9.0543  0.000000       9.054333 
1 1 1 -8  -54 42 o 18.815  8.1869  26.205     69.856   0.0000     0.0000   26.205     69.856   ?       ?       18.815  8.1869  0.000000       8.186867 
1 1 1 -8  -54 43 o 22.871  8.8961  79.283     70.922   201.972    171.514  53.977     77.893   29.345  12.797  21.155  8.9075  8.190639       15.59206 
1 1 1 -8  -54 44 o 17.198  7.3895  19.930     55.503   -84.9106   91.007   82.021     70.036   15.869  7.6831  23.101  8.8802  -7.231891      11.74256 
1 1 1 -8  -54 45 o 13.551  5.9765  -0.1366    38.364   -4.0203    86.114   0.8250     42.852   18.438  8.4614  14.277  6.3054  4.160812       10.55240 
1 1 1 -8  -54 46 o 22.117  7.0384  72.787     42.516   18.584     87.399   89.591     48.662   19.600  8.8074  24.162  7.5082  -4.561953      11.57339 
1 1 1 -8  -54 47 o 36.835  5.8021  189.354    50.141   44.848     99.882   238.039    57.975   21.567  9.5708  41.210  5.9721  -19.64207      11.28120 
1 1 1 -8  -54 48 o 18.576  7.6540  37.607     55.714   173.454    118.735  -0.7495    63.091   29.019  11.444  16.511  7.4452  12.50735       13.65303 
1 1 1 -8  -54 49 o 30.821  8.3201  153.610    63.671   141.405    128.953  157.545    73.219   26.794  11.381  30.301  9.1723  -3.506197      14.61701 
1 1 1 -8  -54 50 o 15.284  6.8492  -0.7790    52.476   29.301     117.018  -8.3506    58.710   21.379  9.8305  15.527  7.0727  5.852276       12.11039 
1 1 1 -8  -54 51 o 17.986  7.6529  29.908     58.491   30.081     128.829  29.863     65.647   21.718  10.101  18.500  7.9929  3.217817       12.88078 
1 1 1 -8  -54 52 o 25.950  8.7989  116.046    66.040   221.446    142.892  87.417     74.471   29.800  12.266  23.042  9.0711  6.757874       15.25541 
1 1 1 -8  -53 7  o 15.920  7.1967  -0.4675    59.380   84.944     95.048   -55.1423   76.046   23.010  9.7721  15.108  7.2402  7.901526       12.16195 
1 1 1 -8  -53 8  o 22.412  8.4326  79.087     62.322   28.722     93.633   119.146    83.507   20.127  9.0732  25.715  9.7414  -5.587875      13.31231 
1 1 1 -8  -53 9  o 34.299  8.8781  196.169    74.462   285.424    113.356  128.424    98.757   37.767  11.408  26.292  10.416  11.47540       15.44771 
1 1 1 -8  -53 10 o 28.037  8.8013  131.503    66.676   130.951    107.003  131.854    85.250   26.514  10.726  27.090  9.9232  -0.5756359     14.61216 
1 1 1 -8  -53 11 o 52.221  6.8623  395.777    84.847   532.932    140.402  316.874    106.491  54.300  11.033  42.104  10.468  12.19611       15.20885 
1 1 1 -8  -53 12 o 33.299  8.8509  182.029    72.739   161.956    114.245  195.713    94.330   28.654  11.250  32.479  10.500  -3.825201      15.38815 
1 1 1 -8  -53 13 o 48.306  7.0222  340.036    79.897   478.364    128.379  252.589    102.074  52.534  10.439  37.010  10.737  15.52386       14.97551 
1 1 1 -8  -53 14 o 27.790  8.4758  124.681    62.351   115.382    92.020   132.574    84.780   25.920  10.119  27.470  9.9210  -1.549637      14.17116 
1 1 1 -8  -53 15 o 34.320  8.3176  185.884    68.541   86.420     104.799  260.231    90.606   24.131  10.255  39.327  9.5829  -15.19689      14.03549 
1 1 1 -8  -53 16 o 16.704  7.2369  14.702     54.117   -20.7591   75.654   51.861     77.444   16.814  7.7926  21.053  8.8742  -4.239576      11.80997 
1 1 1 -8  -53 17 o 38.908  7.7040  229.444    70.158   144.941    95.151   330.117    103.856  28.116  10.451  43.975  9.9641  -15.85822      14.43948 
1 1 1 -8  -53 18 f 18.446  7.7352  32.503     58.348   36.067     78.925   28.207     86.649   20.102  8.7243  20.124  8.9229  -0.2206802E-01 12.47926 
1 1 1 -8  -53 19 o 30.777  8.4424  152.172    64.942   111.085    89.210   198.494    94.723   25.584  9.9701  32.782  10.513  -7.197643      14.48913 
1 1 1 -8  -53 20 o 36.961  7.8523  209.265    68.249   200.972    94.130   218.457    99.100   33.071  10.467  34.202  10.729  -1.130402      14.98907 
1 1 1 -8  -53 21 o 37.403  7.8541  214.091    69.010   224.426    92.776   201.289    103.253  35.472  10.221  32.326  11.002  3.146450       15.01696 
1 1 1 -8  -53 22 o 20.036  8.0959  49.529     60.883   23.807     80.287   84.334     93.394   19.488  8.6176  23.761  9.8604  -4.273056      13.09540 
1 1 1 -8  -53 23 f 20.703  8.0855  57.964     58.770   18.071     79.616   105.727    87.117   19.128  8.5136  25.227  9.8465  -6.099209      13.01669 
1 1 1 -8  -53 24 o 31.496  8.1612  156.015    62.876   201.191    86.547   105.520    91.500   33.933  9.8992  25.228  10.016  8.705650       14.08217 
1 1 1 -8  -53 25 o 35.150  7.6365  187.189    63.268   125.974    90.472   245.777    88.510   26.815  10.144  38.225  9.5659  -11.40943      13.94297 
1 1 1 -8  -53 26 o 29.197  8.2940  135.572    61.515   32.245     89.171   229.398    84.972   20.559  9.0869  37.041  9.4297  -16.48241      13.09549 
1 1 1 -8  -53 27 o 23.588  8.2235  85.871     57.808   141.254    82.929   33.523     80.626   28.421  9.8529  20.124  8.7752  8.297007       13.19405 
1 1 1 -8  -53 28 o 12.439  5.9352  -48.2132   49.930   -34.2431   71.174   -61.7505   70.063   15.793  7.3983  14.540  6.9630  1.252929       10.15959 
1 1 1 -8  -53 29 o 24.565  8.3732  94.801     59.807   96.504     83.184   92.979     86.049   24.589  9.6150  24.344  9.6975  0.2453842      13.65609 
1 1 1 -8  -53 30 o 12.089  5.9748  -114.4549  64.221   -114.4549  64.221   0.0000     0.0000   12.089  5.9748  ?       ?       0.000000       5.974762 
1 1 1 -8  -53 31 o 10.750  5.3803  -139.9270  59.184   -139.9270  59.184   0.0000     0.0000   10.750  5.3803  ?       ?       0.000000       5.380310 
1 1 1 -8  -53 32 o 26.662  8.4991  113.915    61.974   149.064    79.823   60.575     98.333   29.391  9.6680  22.601  9.7735  6.789806       13.74743 
1 1 1 -8  -53 33 o 21.670  7.8924  68.331     53.816   65.426     79.170   70.826     73.375   22.176  9.1290  22.391  8.9437  -0.2153339     12.77999 
1 1 1 -8  -53 34 o 14.999  6.6883  -1.9973    49.383   -19.4139   72.966   12.723     67.080   16.673  7.7011  17.863  7.8891  -1.189676      11.02471 
1 1 1 -8  -53 35 o 37.592  6.5037  201.659    57.175   201.017    90.936   202.079    73.526   33.585  10.234  35.636  8.6015  -2.050980      13.36894 
1 1 1 -8  -53 36 o 36.200  7.6637  197.959    65.217   335.869    105.474  112.598    82.981   44.495  10.012  25.911  9.7340  18.58405       13.96365 
1 1 1 -8  -53 37 o 33.072  7.8887  168.229    62.417   207.235    99.239   142.700    80.286   33.382  10.767  28.728  9.7018  4.653864       14.49321 
1 1 1 -8  -53 38 o 20.637  7.9241  58.006     55.729   90.282     92.458   39.589     69.842   24.245  9.9096  19.855  8.4013  4.390713       12.99157 
1 1 1 -8  -53 39 o 25.193  8.0532  99.060     55.612   161.849    89.865   60.090     70.797   29.969  10.264  21.433  8.7056  8.536003       13.45841 
1 1 1 -8  -53 40 o 33.613  9.9439  197.329    86.790   0.0000     0.0000   197.329    86.790   ?       ?       33.613  9.9439  0.000000       9.943858 
1 1 1 -8  -53 41 o 26.923  9.6874  123.718    80.743   0.0000     0.0000   123.718    80.743   ?       ?       26.923  9.6874  0.000000       9.687417 
1 1 1 -8  -53 42 o 19.831  8.3047  41.578     67.113   186.131    163.488  12.282     73.600   29.269  12.630  18.394  8.1863  10.87530       15.05062 
1 1 1 -8  -53 43 f 9.8502  4.9085  -105.6795  46.947   -99.1029   114.516  -107.0081  51.471   17.568  8.5324  10.516  5.2236  7.052473       10.00440 
1 1 1 -8  -53 44 o 14.993  6.8699  -16.5427   56.470   -53.6260   123.813  -6.8026    63.454   19.478  9.3086  16.355  7.4121  3.123108       11.89907 
1 1 1 -8  -53 45 o 14.257  6.6708  -33.1970   57.571   101.557    124.530  -69.8261   64.926   25.492  11.011  13.639  6.5748  11.85316       12.82475 
1 1 1 -8  -53 46 o 31.072  6.6542  139.595    48.656   52.025     97.521   168.619    56.143   22.171  9.6596  33.909  7.0535  -11.73802      11.96079 
1 1 1 -8  -53 47 o 31.970  6.5096  146.596    48.781   111.921    101.215  157.087    55.673   25.887  10.446  32.542  7.2378  -6.655512      12.70838 
1 1 1 -8  -53 48 o 49.128  4.8528  320.509    57.091   286.039    109.485  333.383    66.908   39.505  11.010  49.339  5.6934  -9.834175      12.39523 
1 1 1 -8  -53 49 o 31.053  6.5681  139.150    47.943   128.145    96.840   142.724    55.180   26.976  10.422  30.742  7.4707  -3.766424      12.82322 
1 1 1 -8  -53 50 o 33.186  8.3403  174.049    67.079   235.340    135.758  154.252    77.156   32.757  12.418  30.036  9.4734  2.721737       15.61884 
1 1 1 -8  -53 51 o 27.835  9.1305  130.357    71.213   265.322    143.936  86.613     81.944   33.913  12.803  23.680  9.4539  10.23240       15.91523 
1 1 1 -8  -53 52 o 32.700  8.7656  175.650    70.968   297.182    148.754  139.837    80.750   35.239  13.073  28.123  9.7241  7.115797       16.29299 
1 1 1 -8  -53 53 o 27.958  8.9420  132.564    68.558   130.805    148.818  133.037    77.242   26.218  11.656  27.476  9.5100  -1.258659      15.04336 
1 1 1 -8  -53 54 o 20.170  8.2172  53.514     63.315   46.547     144.206  55.178     70.470   22.805  10.633  20.603  8.5588  2.201834       13.64977 
1 1 1 -8  -52 5  o 21.081  9.3184  44.975     93.792   43.965     103.702  49.516     219.857  21.455  9.6205  24.584  11.912  -3.129110      15.31199 
1 1 1 -8  -52 6  o 16.645  7.7184  -19.6524   74.367   -75.9245   89.738   103.724    132.876  15.969  7.7059  25.155  11.107  -9.185879      13.51822 
1 1 1 -8  -52 7  o 15.912  7.4837  -37.1645   74.067   -37.3266   89.198   -36.8045   132.923  17.333  8.1704  20.331  9.6962  -2.998037      12.67959 
1 1 1 -8  -52 8  o 42.015  10.239  306.261    103.428  254.560    122.946  431.440    191.306  35.119  12.005  39.849  14.817  -4.729843      19.07005 
1 1 1 -8  -52 9  o 58.020  9.1332  536.536    124.326  576.153    150.390  451.016    220.960  56.646  11.337  38.388  15.454  18.25755       19.16669 
1 1 1 -8  -52 10 o 40.227  10.944  293.318    109.663  280.202    128.502  328.471    210.380  36.899  12.273  34.032  14.498  2.866337       18.99504 
1 1 1 -8  -52 11 o 28.798  10.407  148.024    93.309   156.351    107.842  123.224    186.113  28.972  11.047  27.195  12.465  1.777065       16.65594 
1 1 1 -8  -52 12 o 46.728  9.7459  360.367    106.923  410.614    123.388  208.880    214.243  48.506  10.765  29.838  13.560  18.66789       17.31366 
1 1 1 -8  -52 13 o 18.532  8.2662  10.739     75.496   20.040     84.225   -27.2852   170.294  19.708  8.7650  22.608  10.835  -2.900604      13.93605 
1 1 1 -8  -52 14 o 21.787  8.9323  60.984     75.409   78.050     82.556   -24.9831   185.288  23.290  9.4215  23.203  11.166  0.8686447E-01  14.60993 
1 1 1 -8  -52 15 o 16.685  7.6045  -10.1076   67.998   6.9109     73.465   -111.8512  179.628  18.137  8.1175  21.185  10.375  -3.047874      13.17321 
1 1 1 -8  -52 16 o 25.849  9.4868  109.817    77.970   145.872    86.680   -43.0354   178.472  28.847  10.069  22.551  10.878  6.295141       14.82315 
1 1 1 -8  -52 17 o 19.858  8.4674  36.529     71.882   63.180     77.269   -134.8824  195.959  22.035  9.0386  21.501  10.591  0.5336208      13.92327 
1 1 1 -8  -52 18 o 17.877  8.1096  -2.7188    76.180   -30.1766   82.140   166.142    203.699  17.146  8.0048  28.588  13.080  -11.44206      15.33544 
1 1 1 -8  -52 19 o 25.088  9.5036  100.637    79.479   128.518    86.117   -59.5759   206.433  27.395  9.9828  23.287  11.343  4.108482       15.11020 
1 1 1 -8  -52 20 o 35.057  10.204  214.432    92.057   212.091    101.660  225.097    216.977  33.926  10.893  30.438  13.758  3.488482       17.54825 
1 1 1 -8  -52 21 o 24.265  9.2785  90.490     76.209   96.043     81.908   54.701     207.938  24.777  9.5817  25.834  12.266  -1.056423      15.56443 
1 1 1 -8  -52 22 o 28.859  9.8892  142.499    83.429   168.167    91.181   10.501     206.771  30.832  10.340  24.864  11.922  5.968561       15.78065 
1 1 1 -8  -52 23 o 27.016  9.8991  122.122    84.846   118.759    92.891   139.054    208.435  26.644  10.231  28.152  13.007  -1.507454      16.54870 
1 1 1 -8  -52 24 o 29.384  10.130  149.327    87.597   98.944     98.289   343.865    193.135  25.282  10.262  36.335  14.511  -11.05365      17.77293 
1 1 1 -8  -52 25 o 12.162  5.7806  -44.0561   46.415   -96.4149   68.281   0.9209     63.285   13.233  6.4628  16.931  7.5592  -3.698288      9.945262 
1 1 1 -8  -52 26 o 37.677  7.1354  205.799    62.843   113.907    91.327   288.439    86.607   26.377  10.140  43.307  8.5455  -16.93007      13.26089 
1 1 1 -8  -52 27 o 13.985  6.4440  -22.3707   50.634   9.0896     72.521   -52.2942   70.728   18.340  8.1460  15.138  7.1775  3.201747       10.85697 
1 1 1 -8  -52 28 o 15.769  7.0636  -4.4205    55.745   -172.3720  75.482   197.092    82.680   12.158  6.0839  34.575  9.5430  -22.41636      11.31734 
1 1 1 -8  -52 29 o 40.242  9.4133  261.100    90.278   261.100    90.278   0.0000     0.0000   40.242  9.4133  ?       ?       0.000000       9.413268 
1 1 1 -8  -52 30 o 18.298  8.0140  14.866     67.906   -1.5816    75.447   85.018     155.818  18.033  8.1356  25.966  11.705  -7.932499      14.25471 
1 1 1 -8  -52 31 o 44.010  7.6885  285.300    79.115   282.690    95.973   290.835    139.756  41.633  9.6833  37.448  12.800  4.184574       16.04973 
1 1 1 -8  -52 32 o 15.880  7.0903  -2.7194    55.692   -2.4344    66.292   -3.4031    102.673  17.083  7.6739  20.132  9.2391  -3.048811      12.01037 
1 1 1 -8  -52 33 o 17.689  7.6778  15.363     61.137   33.712     76.515   -17.0378   101.675  20.186  8.6748  19.497  9.0353  0.6894112      12.52550 
1 1 1 -8  -52 34 o 33.056  6.9322  157.810    53.825   43.942     81.831   244.643    71.459   21.174  9.0316  40.863  7.4830  -19.68858      11.72877 
1 1 1 -8  -52 35 o 19.288  7.3516  46.766     47.746   -36.7751   78.186   96.446     60.294   16.605  7.7709  25.039  8.4078  -8.433756      11.44891 
1 1 1 -8  -52 36 o 20.515  7.5020  57.442     48.695   96.638     77.056   31.380     62.832   24.944  9.3783  18.980  7.9964  5.964334       12.32456 
1 1 1 -8  -52 37 o 8.1979  4.1276  -109.0538  37.603   -55.6188   71.485   -129.4953  44.214   15.078  7.1684  8.8074  4.4397  6.270450       8.431881 
1 1 1 -8  -52 38 o 33.877  7.4862  170.280    59.897   23.401     94.321   269.539    77.538   20.722  9.2418  42.562  7.7953  -21.83983      12.09034 
1 1 1 -8  -52 39 f 27.549  9.5147  125.574    77.300   0.0000     0.0000   125.574    77.300   ?       ?       27.549  9.5147  0.000000       9.514737 
1 1 1 -8  -52 40 o 23.799  9.0341  85.051     71.914   0.0000     0.0000   85.051     71.914   ?       ?       23.799  9.0341  0.000000       9.034068 
1 1 1 -8  -52 41 o 21.837  7.9070  68.397     53.904   -9.3150    95.297   104.958    65.365   19.230  8.8531  25.766  8.7537  -6.535797      12.45013 
1 1 1 -8  -52 42 o 12.040  5.7844  -55.9286   49.220   33.623     83.412   -103.7682  60.966   20.528  8.9389  12.024  5.9196  8.503404       10.72133 
1 1 1 -8  -52 43 o 24.134  8.0868  88.661     55.777   118.652    88.969   69.240     71.594   26.636  10.063  22.409  8.8711  4.227699       13.41526 
1 1 1 -8  -52 44 o 17.378  7.6194  11.326     61.533   94.641     136.272  -10.0128   68.965   25.667  11.294  16.862  7.6750  8.804447       13.65515 
1 1 1 -8  -52 45 f 15.492  7.0528  -13.1847   58.277   102.732    123.988  -46.0543   66.025   25.844  11.073  14.795  6.9909  11.04948       13.09494 
1 1 1 -8  -52 46 o 22.043  8.5913  66.867     66.249   74.692     141.040  64.652     75.043   24.978  11.208  22.190  8.9804  2.787855       14.36237 
1 1 1 -8  -52 47 o 25.416  7.4787  96.887     49.209   -42.4987   136.805  117.602    52.739   20.832  9.9078  27.925  7.5864  -7.092541      12.47869 
1 1 1 -8  -52 48 o 49.656  4.8362  325.511    57.529   348.911    107.583  316.140    68.081   45.995  9.9307  47.941  5.9828  -1.946655      11.59365 
1 1 1 -8  -52 49 o 20.148  7.0653  56.176     42.701   -86.9663   89.077   98.885     48.656   15.866  7.6612  25.730  7.3984  -9.864551      10.65035 
1 1 1 -8  -52 50 o 37.896  5.8737  197.884    52.261   198.221    106.918  197.778    59.906   32.561  11.193  37.068  6.9149  -4.506863      13.15691 
1 1 1 -8  -52 51 o 60.575  6.3934  512.224    92.551   568.085    176.327  490.982    108.734  52.215  13.734  57.237  8.0520  -5.021645      15.92002 
1 1 1 -8  -52 52 o 35.050  8.7732  195.881    74.438   277.567    164.451  174.831    83.479   34.180  13.472  31.923  9.8199  2.256374       16.67119 
1 1 1 -8  -52 53 o 17.595  7.6624  16.199     61.300   -22.9051   139.725  25.520     68.215   21.315  10.101  18.821  8.1395  2.494253       12.97220 
1 1 1 -8  -52 54 o 16.482  7.3948  -0.0859    61.358   148.401    144.157  -32.9383   67.807   27.612  11.887  15.459  7.2354  12.15291       13.91597 
1 1 1 -8  -52 55 f 36.972  8.6226  219.995    75.931   146.599    163.635  240.136    85.719   27.125  12.129  37.742  9.3966  -10.61737      15.34333 
1 1 1 -8  -51 2  o 21.494  9.3634  53.222     91.603   64.621     101.332  2.2682     214.249  22.465  9.8155  23.713  11.552  -1.248491      15.15858 
1 1 1 -8  -51 3  o 39.732  11.186  299.197    112.410  273.368    127.994  386.311    235.063  35.691  12.248  33.938  14.886  1.752659       19.27709 
1 1 1 -8  -51 4  o 16.466  7.6180  -21.1694   71.828   -27.1052   87.208   -8.6486    126.657  17.646  8.2413  20.997  9.8467  -3.351360      12.84047 
1 1 1 -8  -51 5  o 24.395  9.3663  92.808     77.854   60.065     92.980   169.612    142.405  22.486  9.6101  29.072  12.129  -6.585495      15.47486 
1 1 1 -8  -51 6  o 28.050  9.7621  133.135    81.446   90.144     99.501   220.431    141.786  24.646  10.198  32.158  12.559  -7.512352      16.17822 
1 1 1 -8  -51 7  o 22.232  8.3465  70.363     60.990   4.1080     92.684   120.965    80.999   19.665  8.9301  27.025  9.7050  -7.360138      13.18843 
1 1 1 -8  -51 8  o 18.606  7.8758  28.100     61.413   48.019     94.764   13.676     80.638   22.078  9.5709  19.258  8.5701  2.820379       12.84713 
1 1 1 -8  -51 9  o 26.126  8.3877  106.121    60.278   114.190    92.615   100.190    79.397   26.397  10.194  25.255  9.5149  1.141567       13.94462 
1 1 1 -8  -51 10 o 16.960  7.3952  11.055     57.262   45.195     87.980   -14.0363   75.423   21.549  9.2816  17.347  7.9453  4.202019       12.21787 
1 1 1 -8  -51 11 o 45.084  6.8991  290.288    73.070   354.047    107.955  236.381    99.264   46.391  9.8925  36.646  10.576  9.745346       14.48157 
1 1 1 -8  -51 12 o 39.676  7.0918  227.595    65.768   281.908    94.039   175.596    92.014   41.650  9.5138  31.574  10.380  10.07609       14.08018 
1 1 1 -8  -51 13 o 65.614  5.3260  576.027    84.061   606.933    121.140  547.323    116.742  63.861  7.9929  60.377  8.1794  3.484367       11.43629 
1 1 1 -8  -51 14 o 18.516  7.5556  34.851     53.641   137.189    73.152   -84.1789   78.893   28.953  9.2343  14.891  7.1954  14.06179       11.70662 
1 1 1 -8  -51 15 o 21.793  8.0647  66.818     56.540   82.633     80.044   51.069     79.875   23.831  9.3971  21.511  9.0369  2.319374       13.03732 
1 1 1 -8  -51 16 o 29.007  8.4320  131.549    62.893   0.7493     87.741   269.779    90.199   19.195  8.7060  41.094  9.2671  -21.89839      12.71510 
1 1 1 -8  -51 17 o 33.220  7.9417  166.766    63.147   114.616    87.267   224.084    91.489   26.553  9.9809  36.481  10.026  -9.927912      14.14700 
1 1 1 -8  -51 18 o 29.597  9.7894  146.246    81.800   118.594    88.947   297.863    208.279  26.924  10.085  34.181  14.488  -7.256437      17.65269 
1 1 1 -8  -51 19 o 25.525  9.4440  101.212    77.526   137.490    84.245   -99.3741   198.095  28.724  9.9323  22.784  11.101  5.939915       14.89568 
1 1 1 -8  -51 20 o 14.118  6.7586  -64.7426   65.880   -70.8707   71.046   -27.1432   175.981  14.532  6.9730  23.505  11.195  -8.973482      13.18943 
1 1 1 -8  -51 21 o 36.802  10.008  224.508    91.725   163.983    101.484  494.579    214.372  30.577  10.876  43.896  15.786  -13.31966      19.16959 
1 1 1 -8  -51 22 f 20.863  8.7002  43.913     73.215   31.369     78.687   124.811    199.828  20.394  8.7809  28.608  13.038  -8.214487      15.71914 
1 1 1 -8  -51 23 o 45.946  9.1874  327.305    98.846   280.077    110.435  517.557    221.652  40.240  10.997  44.870  16.061  -4.629784      19.46486 
1 1 1 -8  -51 24 o 23.127  9.2157  69.910     77.735   73.688     86.623   54.281     176.178  23.754  9.6362  26.083  12.019  -2.329018      15.40495 
1 1 1 -8  -51 25 o 27.727  9.6586  122.234    79.737   124.282    92.533   116.327    157.150  27.761  10.308  27.945  12.216  -0.1838512     15.98447 
1 1 1 -8  -51 26 o 36.690  9.5562  214.837    85.919   159.328    102.083  349.684    159.108  30.484  10.901  41.124  13.655  -10.64076      17.47267 
1 1 1 -8  -51 27 o 21.562  9.2168  40.408     85.557   40.408     85.557   0.0000     0.0000   21.562  9.2168  ?       ?       0.000000       9.216846 
1 1 1 -8  -51 28 o 37.272  10.934  238.771    105.320  238.771    105.320  0.0000     0.0000   37.272  10.934  ?       ?       0.000000       10.93364 
1 1 1 -8  -51 29 o 37.725  8.8045  217.660    79.123   171.501    89.468   383.365    169.514  32.156  10.208  42.616  14.092  -10.45996      17.40077 
1 1 1 -8  -51 30 o 35.661  6.9933  180.329    58.350   194.412    81.743   165.699    83.319   35.027  9.4153  31.945  9.8077  3.081093       13.59554 
1 1 1 -8  -51 31 o 43.075  6.4462  255.980    65.302   257.175    96.064   254.953    89.037   39.938  9.9499  40.483  9.2647  -0.5456123     13.59537 
1 1 1 -8  -51 32 o 22.492  7.5422  71.675     48.517   79.835     75.090   65.828     63.568   23.937  9.1966  22.279  8.4849  1.658152       12.51280 
1 1 1 -8  -51 33 o 23.800  7.5491  82.002     48.940   81.433     81.101   82.327     61.375   24.235  9.4891  23.858  8.4607  0.3769817      12.71320 
1 1 1 -8  -51 34 f 27.895  7.4306  113.822    51.196   154.016    83.856   89.938     64.641   30.696  9.8970  24.667  8.6898  6.028446       13.17057 
1 1 1 -8  -51 35 o 39.480  6.0373  212.910    55.997   201.958    86.585   220.785    73.416   35.285  9.7762  38.576  8.1013  -3.291550      12.69669 
1 1 1 -8  -51 36 o 37.366  6.3608  193.484    55.605   267.105    86.167   140.950    72.789   41.865  8.7637  29.841  9.1679  12.02385       12.68282 
1 1 1 -8  -51 37 o 12.352  5.7539  -28.7660   42.074   -68.1786   78.078   -12.6379   49.946   15.517  7.4090  14.594  6.5984  0.9230299      9.921240 
1 1 1 -8  -51 38 o 28.207  8.7920  124.030    66.668   0.0000     0.0000   124.030    66.668   ?       ?       28.207  8.7920  0.000000       8.791963 
1 1 1 -8  -51 39 o 13.830  6.4285  -30.2042   52.054   0.0000     0.0000   -30.2042   52.054   ?       ?       13.830  6.4285  0.000000       6.428450 
1 1 1 -8  -51 40 o 24.700  7.7552  90.552     51.765   123.039    87.968   73.344     64.024   27.471  10.077  22.832  8.5555  4.639067       13.21939 
1 1 1 -8  -51 41 f 33.811  7.8145  170.387    62.824   202.241    92.618   143.239    85.502   34.463  10.290  29.279  10.011  5.183876       14.35663 
1 1 1 -8  -51 42 o 27.034  7.8111  110.019    54.118   -10.9366   86.217   188.659    69.519   18.620  8.5160  35.198  8.2786  -16.57824      11.87679 
1 1 1 -8  -51 43 o 28.139  8.0508  120.722    57.748   226.597    90.073   46.832     75.247   37.006  9.8554  21.079  8.8076  15.92727       13.21748 
1 1 1 -8  -51 44 o 13.971  6.1436  -0.6276    40.266   38.923     84.948   -12.0891   45.729   21.141  9.1130  13.948  6.3093  7.192920       11.08400 
1 1 1 -8  -51 45 o 15.298  6.9344  -12.1763   55.572   100.429    89.585   -82.6108   70.851   25.499  9.9760  14.058  6.7994  11.44069       12.07284 
1 1 1 -8  -51 46 o 46.475  8.0094  321.106    87.059   458.355    158.104  261.384    104.294  48.007  13.174  38.732  10.729  9.274429       16.99023 
1 1 1 -8  -51 47 o 34.953  9.0642  194.580    77.521   416.845    145.650  106.729    91.569   46.642  12.581  25.996  10.109  20.64571       16.13913 
1 1 1 -8  -51 48 o 40.387  8.5718  250.263    81.401   173.366    151.423  281.518    96.537   29.944  12.502  41.605  9.7354  -11.66123      15.84507 
1 1 1 -8  -51 49 o 14.148  6.1986  0.7137     40.658   51.366     84.922   -14.3497   46.311   21.941  9.2729  13.891  6.3097  8.049531       11.21605 
1 1 1 -8  -51 50 o 27.612  7.0528  111.043    47.421   135.646    99.080   103.733    54.009   28.262  10.633  26.244  7.8627  2.017704       13.22412 
1 1 1 -8  -51 51 o 13.543  6.0631  -7.7240    41.010   -64.2650   92.397   6.1473     45.765   17.048  8.1179  15.314  6.6449  1.734195       10.49067 
1 1 1 -8  -51 52 f 21.038  7.3957  61.698     46.802   184.692    100.265  27.433     52.922   32.186  10.842  17.884  7.4221  14.30187       13.13916 
1 1 1 -8  -51 53 o 22.152  8.7504  65.193     69.519   13.065     144.884  80.783     79.236   23.125  10.741  23.743  9.3536  -0.6177711     14.24267 
1 1 1 -8  -51 54 o 19.690  8.3100  35.703     68.049   -97.9883   146.377  72.563     76.860   20.012  9.7024  22.933  9.1558  -2.921482      13.34038 
1 1 1 -8  -51 55 o 21.394  8.6673  57.872     69.981   -40.2742   152.966  83.852     78.701   21.653  10.348  23.753  9.3334  -2.100096      13.93511 
1 1 1 -8  -51 56 o 41.756  8.2640  268.946    80.765   60.259     164.717  334.999    92.669   24.712  11.469  46.375  8.5504  -21.66362      14.30549 
1 1 1 -8  -50 1  o 26.183  8.8204  110.891    66.359   133.317    97.882   91.816     90.271   27.398  10.506  24.387  9.8565  3.010475       14.40591 
1 1 1 -8  -50 2  o 18.724  8.0979  23.412     67.525   1.2855     91.879   49.399     99.574   19.424  8.8479  22.284  9.7334  -2.859634      13.15387 
1 1 1 -8  -50 3  o 32.501  8.6910  166.821    69.866   175.205    102.032  159.419    95.867   31.054  10.920  30.012  10.581  1.041792       15.20547 
1 1 1 -8  -50 4  o 44.562  7.2087  285.816    75.283   334.717    116.296  250.543    98.770   43.835  10.962  38.306  10.372  5.528534       15.09134 
1 1 1 -8  -50 5  o 40.068  7.5057  234.326    70.289   264.261    109.178  213.137    91.858   38.552  11.082  35.507  10.152  3.044674       15.02898 
1 1 1 -8  -50 6  o 19.739  8.0198  41.961     60.106   145.525    92.593   -33.4624   79.018   29.213  10.389  16.927  7.8852  12.28671       13.04214 
1 1 1 -8  -50 7  o 26.947  8.5075  112.485    62.212   181.821    94.541   59.531     82.621   32.335  10.516  22.387  9.2809  9.948019       14.02578 
1 1 1 -8  -50 8  o 28.131  8.3181  122.081    60.743   49.410     99.103   165.809    76.875   22.560  9.7835  31.964  9.3311  -9.404831      13.51990 
1 1 1 -8  -50 9  o 16.831  7.3463  9.0240     56.627   4.5466     92.059   11.749     71.822   19.807  8.9566  18.522  8.1725  1.285313       12.12476 
1 1 1 -8  -50 10 o 52.775  5.9818  380.321    75.246   315.259    107.372  443.111    105.481  43.398  10.343  54.486  8.2356  -11.08708      13.22140 
1 1 1 -8  -50 11 o 24.676  8.1839  91.673     57.154   122.333    78.709   57.473     83.128   27.476  9.5947  22.269  9.2771  5.206261       13.34630 
1 1 1 -8  -50 12 o 19.495  7.6591  44.598     52.991   53.930     74.402   34.991     75.491   21.589  8.8641  20.323  8.6717  1.265829       12.40045 
1 1 1 -8  -50 13 o 21.260  7.9286  60.763     54.858   78.686     77.285   42.565     77.879   23.680  9.2655  21.023  8.8823  2.657148       12.83527 
1 1 1 -8  -50 14 o 15.439  6.8400  -1.5577    50.813   -4.6014    68.834   2.0872     75.324   17.353  7.8052  18.372  8.2213  -1.018414      11.33627 
1 1 1 -8  -50 15 o 24.512  8.1991  89.182     57.336   132.933    79.398   41.506     82.883   28.682  9.6482  21.358  9.0992  7.323906       13.26208 
1 1 1 -8  -50 16 o 23.579  8.2445  80.488     58.123   126.136    78.542   25.224     86.419   28.118  9.5954  20.674  9.0480  7.444050       13.18855 
1 1 1 -8  -50 17 o 13.597  6.3632  -36.5988   52.415   -38.8581   70.977   -33.8888   77.734   15.943  7.4425  16.926  7.8633  -0.9821787     10.82696 
1 1 1 -8  -50 18 o 33.904  10.032  187.878    88.331   280.362    228.497  171.629    95.777   34.504  14.910  31.928  10.594  2.576586       18.29041 
1 1 1 -8  -50 19 o 31.531  8.1356  148.144    62.658   109.557    83.899   196.806    94.218   26.769  9.8384  34.456  10.399  -7.687128      14.31553 
1 1 1 -8  -50 20 o 34.889  7.9334  178.363    65.642   209.418    87.868   139.144    98.745   36.280  9.7657  29.256  10.685  7.023527       14.47567 
1 1 1 -8  -50 21 o 15.165  6.7513  -6.1072    50.092   23.845     66.512   -45.3636   76.144   19.171  8.1588  16.363  7.6611  2.807848       11.19193 
1 1 1 -8  -50 22 o 49.927  6.1345  336.420    72.751   305.973    100.283  370.247    105.702  44.545  9.5640  49.611  9.1169  -5.066326      13.21315 
1 1 1 -8  -50 23 o 29.781  8.2009  131.396    61.143   33.695     86.167   230.480    86.774   21.476  9.2166  38.713  9.3444  -17.23746      13.12492 
1 1 1 -8  -50 24 o 64.538  5.1171  542.762    79.476   451.568    112.660  633.104    112.133  55.507  8.6464  67.886  6.9036  -12.37891      11.06435 
1 1 1 -8  -50 25 o 25.861  9.4242  96.993     76.750   97.052     88.905   96.820     152.066  26.103  10.012  27.859  12.100  -1.756596      15.70541 
1 1 1 -8  -50 26 o 35.127  10.740  203.044    100.031  203.044    100.031  0.0000     0.0000   35.127  10.740  ?       ?       0.000000       10.74006 
1 1 1 -8  -50 27 o 30.104  10.502  144.376    94.290   144.376    94.290   0.0000     0.0000   30.104  10.502  ?       ?       0.000000       10.50215 
1 1 1 -8  -50 28 f 16.130  7.4902  -37.4447   70.404   -109.5876  80.968   186.184    142.554  14.691  7.1440  32.529  12.624  -17.83844      14.50482 
1 1 1 -8  -50 29 o 30.796  9.1825  144.910    73.792   80.737     95.064   242.195    117.047  25.161  10.134  37.565  11.640  -12.40391      15.43310 
1 1 1 -8  -50 30 o 19.539  8.0346  33.318     61.243   48.799     78.555   9.3247     97.793   22.049  9.0870  21.121  9.4155  0.9280472      13.08531 
1 1 1 -8  -50 31 o 35.947  8.7697  193.370    75.812   94.097     99.875   328.334    116.452  26.242  10.450  45.108  10.786  -18.86603      15.01735 
1 1 1 -8  -50 32 o 40.685  6.1792  223.876    59.082   125.647    105.537  268.711    71.301   28.577  10.921  44.118  6.8856  -15.54132      12.91037 
1 1 1 -8  -50 33 o 31.888  7.0973  143.501    53.501   175.884    82.854   120.342    70.066   33.537  9.6577  28.236  9.0407  5.300253       13.22899 
1 1 1 -8  -50 34 f 59.329  4.8260  455.319    68.871   505.031    104.223  416.787    91.759   60.244  7.2774  54.893  7.0522  5.351101       10.13381 
1 1 1 -8  -50 35 o 30.096  7.0985  128.428    50.997   185.137    79.465   88.720     66.496   34.677  9.2671  24.886  8.8085  9.791218       12.78552 
1 1 1 -8  -50 36 o 49.188  5.7036  321.937    66.809   262.088    115.690  351.882    81.833   39.124  11.454  50.508  6.8544  -11.38451      13.34854 
1 1 1 -8  -50 37 o 25.526  8.8378  95.513     66.712   0.0000     0.0000   95.513     66.712   ?       ?       25.526  8.8378  0.000000       8.837845 
1 1 1 -8  -50 38 o 27.434  8.7537  113.474    65.730   0.0000     0.0000   113.474    65.730   ?       ?       27.434  8.7537  0.000000       8.753671 
1 1 1 -8  -50 39 o 43.084  6.0670  251.424    61.668   295.315    102.357  226.415    77.265   43.180  9.9709  39.057  8.4023  4.122993       13.03906 
1 1 1 -8  -50 40 o 13.691  6.0924  -6.6509    40.748   -71.4385   60.539   47.011     55.097   13.259  6.3810  20.104  7.8351  -6.845288      10.10471 
1 1 1 -8  -50 41 o 21.046  7.2653  60.412     45.068   2.2082     67.277   107.791    60.699   17.733  7.8627  26.782  8.3959  -9.049360      11.50277 
1 1 1 -8  -50 42 o 29.570  7.3677  127.036    52.670   46.336     73.819   210.720    75.171   21.232  8.7850  37.408  8.4777  -16.17591      12.20852 
1 1 1 -8  -50 43 o 31.908  6.3222  141.579    47.217   186.824    91.624   125.219    55.096   33.438  10.288  29.121  7.6853  4.316969       12.84163 
1 1 1 -8  -50 44 o 16.943  6.7009  28.864     40.812   -29.7894   87.471   45.185     46.142   18.046  8.3693  19.202  7.2491  -1.155823      11.07222 
1 1 1 -8  -50 45 o 37.811  5.6795  193.384    50.495   107.132    97.085   225.370    59.122   26.399  10.369  40.471  6.2197  -14.07148      12.09092 
1 1 1 -8  -50 46 o 14.082  6.0345  6.0286     36.840   -35.2894   80.384   17.014     41.449   17.073  7.9531  15.771  6.5588  1.301740       10.30874 
1 1 1 -8  -50 47 o 22.101  8.5533  64.352     65.309   180.885    129.029  24.213     75.726   31.146  12.031  19.738  8.5559  11.40840       14.76325 
1 1 1 -8  -50 48 o 42.645  8.3196  272.327    82.996   237.989    151.505  287.050    99.205   33.964  13.060  42.138  9.8752  -8.173252      16.37309 
1 1 1 -8  -50 49 o 26.039  8.9194  104.277    67.868   42.423     133.047  126.033    78.905   24.024  10.824  28.003  9.6164  -3.979273      14.47882 
1 1 1 -8  -50 50 o 23.005  7.2986  76.216     45.744   39.255     93.675   87.790     52.419   21.887  9.5019  24.406  7.8204  -2.518568      12.30624 
1 1 1 -8  -50 51 o 33.368  6.5592  156.312    51.212   306.886    102.205  105.832    59.177   43.719  9.8686  26.448  8.2898  17.27088       12.88839 
1 1 1 -8  -50 52 o 22.319  7.3897  70.860     46.607   54.737     97.370   75.652     53.083   23.016  9.8354  22.959  7.8873  0.5711555E-01  12.60728 
1 1 1 -8  -50 53 o 38.745  6.0742  205.807    55.227   239.583    108.976  194.134    64.063   36.790  11.202  36.569  7.4723  0.2211533      13.46549 
1 1 1 -8  -50 54 o 42.363  8.4698  270.912    84.018   167.513    168.586  305.080    96.911   29.975  12.879  44.074  9.3515  -14.09968      15.91584 
1 1 1 -8  -50 55 o 37.039  8.3908  208.918    73.662   157.118    160.858  222.663    82.860   29.321  12.588  37.490  9.1818  -8.169460      15.58125 
1 1 1 -8  -50 56 o 25.448  11.447  74.350     148.069  74.350     148.069  0.0000     0.0000   25.448  11.447  ?       ?       0.000000       11.44671 
1 1 1 -8  -50 57 o 15.537  7.0356  -10.0660   57.041   -175.3402  143.461  20.968     62.166   18.144  8.9603  18.121  7.8036  0.2282524E-01  11.88210 
1 1 1 -8  -49 1  o 58.078  6.2889  464.294    87.208   385.869    126.425  535.483    120.452  47.116  11.220  59.582  8.5791  -12.46580      14.12366 
1 1 1 -8  -49 2  o 47.904  6.6553  320.207    75.267   339.099    115.743  306.363    99.078   44.764  10.784  43.922  9.5675  0.8415680      14.41634 
1 1 1 -8  -49 3  o 52.275  6.3672  376.049    79.092   403.770    119.640  354.529    105.413  49.895  10.226  47.560  9.4673  2.334091       13.93556 
1 1 1 -8  -49 4  o 34.781  8.2239  182.070    68.312   229.089    104.787  147.318    90.085   36.236  10.974  29.719  10.271  6.517607       15.03055 
1 1 1 -8  -49 5  o 20.804  8.1872  52.446     60.644   64.427     95.626   44.386     78.434   23.481  9.8774  21.271  8.9466  2.209730       13.32679 
1 1 1 -8  -49 6  o 43.203  6.8325  262.513    69.242   328.171    106.380  214.248    91.207   45.070  9.9900  35.972  10.058  9.098248       14.17590 
1 1 1 -8  -49 7  o 22.639  8.2529  72.089     58.865   -16.3872   92.796   131.663    76.146   19.054  8.7588  28.658  9.4434  -9.603336      12.88005 
1 1 1 -8  -49 8  o 15.300  6.9016  -10.8362   54.277   -43.2067   91.907   6.4996     67.258   17.883  8.3868  17.884  7.8989  -0.1253128E-02 11.52095 
1 1 1 -8  -49 9  o 43.042  6.3305  255.439    64.138   308.408    94.166   209.598    87.600   44.841  8.9680  35.901  9.7874  8.940006       13.27473 
1 1 1 -8  -49 10 o 30.090  7.9895  135.531    59.311   130.742    82.440   140.668    85.393   28.479  9.8266  29.325  10.005  -0.8460464     14.02370 
1 1 1 -8  -49 11 o 35.158  7.5204  179.328    62.214   215.762    90.647   146.883    85.542   36.391  9.9709  29.975  10.015  6.415995       14.13207 
1 1 1 -8  -49 12 f 36.024  7.7272  189.149    65.518   193.707    95.299   185.063    90.223   33.989  10.498  33.498  10.191  0.4909439      14.63110 
1 1 1 -8  -49 13 o 28.681  7.8461  121.326    56.182   192.399    79.645   50.932     79.263   35.160  9.2215  21.996  9.1023  13.16392       12.95718 
1 1 1 -8  -49 14 o 48.606  5.9194  317.409    68.370   293.083    97.138   341.293    96.250   43.593  9.4556  48.063  8.5675  -4.469612      12.75968 
1 1 1 -8  -49 15 o 23.711  8.0793  79.654     55.682   137.172    76.858   16.113     80.782   29.695  9.4647  19.983  8.7467  9.711798       12.88738 
1 1 1 -8  -49 16 o 28.555  8.1788  120.281    59.566   65.078     82.410   180.673    86.196   23.404  9.4322  33.769  9.8872  -10.36425      13.66468 
1 1 1 -8  -49 17 o 39.997  6.9359  221.852    64.872   264.694    90.591   176.761    92.938   41.913  9.1634  33.114  10.390  8.798717       13.85375 
1 1 1 -8  -49 18 o 21.367  8.0911  56.064     57.595   12.225     76.032   115.091    88.225   19.462  8.5030  27.717  10.104  -8.255238      13.20545 
1 1 1 -8  -49 19 o 24.330  8.4205  82.855     60.558   17.638     80.180   169.459    92.398   20.208  8.7819  32.631  10.375  -12.42250      13.59276 
1 1 1 -8  -49 20 f 34.245  7.7231  167.380    62.644   181.427    85.832   151.368    91.636   34.199  9.8243  31.048  10.366  3.151371       14.28146 
1 1 1 -8  -49 21 o 36.196  7.1770  182.548    60.806   208.572    80.771   148.505    92.380   37.433  9.0029  30.840  10.407  6.593569       13.76072 
1 1 1 -8  -49 22 o 16.984  7.1594  14.816     50.414   13.425     71.945   16.158     70.664   19.266  8.3455  19.317  8.3192  -0.5051994E-01 11.78377 
1 1 1 -8  -49 23 o 18.408  7.4708  28.666     52.091   57.818     72.483   -2.4743    74.914   22.594  8.9319  18.624  8.2756  3.969837       12.17635 
1 1 1 -8  -49 24 o 91.353  4.6172  1063.60    102.012  1105.45    147.147  1024.87    141.549  90.740  6.7312  87.360  6.7296  3.380226       9.518217 
1 1 1 -8  -49 25 o 67.043  7.4079  616.852    118.494  616.852    118.494  0.0000     0.0000   67.043  7.4079  ?       ?       0.000000       7.407903 
1 1 1 -8  -49 26 o 24.530  9.4057  76.526     78.447   76.526     78.447   0.0000     0.0000   24.530  9.4057  ?       ?       0.000000       9.405664 
1 1 1 -8  -49 27 o 27.411  8.0713  107.477    57.298   81.762     74.338   145.114    89.936   24.832  9.2358  30.798  10.268  -5.965574      13.81093 
1 1 1 -8  -49 28 o 14.207  6.3803  -13.1007   45.792   -15.0892   67.462   -11.4018   62.358   17.107  7.7075  16.686  7.4727  0.4206028      10.73529 
1 1 1 -8  -49 29 o 19.427  8.1553  24.565     64.973   38.168     84.123   4.4532     102.288  22.043  9.2679  21.592  9.6272  0.4509926      13.36330 
1 1 1 -8  -49 30 o 26.952  9.0924  104.387    70.516   19.736     91.605   227.502    110.474  21.511  9.3675  37.501  11.248  -15.98915      14.63757 
1 1 1 -8  -49 31 o 34.624  9.0921  178.032    77.363   183.783    100.865  169.815    120.571  34.036  10.842  32.473  11.815  1.562878       16.03588 
1 1 1 -8  -49 32 o 64.013  6.8211  552.709    104.315  547.632    136.372  559.869    161.952  61.003  9.5244  59.157  11.697  1.846203       15.08439 
1 1 1 -8  -49 33 o 91.894  6.3082  1119.68    139.803  1178.73    183.288  1037.52    216.182  91.467  8.3507  81.522  11.227  9.944275       13.99194 
1 1 1 -8  -49 34 o 19.788  8.2194  29.787     64.985   80.048     82.710   -51.2952   105.051  24.959  9.6351  19.403  9.0565  5.556437       13.22325 
1 1 1 -8  -49 35 o 16.184  7.0714  0.8847     52.596   0.0000     0.0000   0.8847     52.596   ?       ?       16.184  7.0714  0.000000       7.071363 
1 1 1 -8  -49 36 o 31.907  8.4325  148.937    66.269   0.0000     0.0000   148.937    66.269   ?       ?       31.907  8.4325  0.000000       8.432470 
1 1 1 -8  -49 37 o 34.004  8.6437  170.527    71.472   0.0000     0.0000   170.527    71.472   ?       ?       34.004  8.6437  0.000000       8.643730 
1 1 1 -8  -49 38 o 24.612  7.6708  85.525     50.750   65.299     88.501   95.435     61.947   23.968  9.7342  25.777  8.5187  -1.808636      12.93532 
1 1 1 -8  -49 39 o 27.226  7.0677  104.456    47.101   71.446     68.688   133.755    64.711   23.443  8.8458  30.088  8.4926  -6.645615      12.26270 
1 1 1 -8  -49 40 f 44.089  5.3765  255.642    56.326   251.464    82.916   259.222    76.754   41.449  8.5290  42.793  7.6740  -1.343941      11.47318 
1 1 1 -8  -49 41 o 29.944  6.8674  125.677    48.833   140.124    71.843   113.271    66.578   30.370  9.0616  27.579  8.8110  2.791178       12.63904 
1 1 1 -8  -49 42 o 33.605  6.5491  155.989    51.482   180.457    75.196   134.400    70.632   34.529  8.9142  29.725  9.0112  4.804026       12.67536 
1 1 1 -8  -49 43 f 44.885  4.2994  258.431    46.252   235.146    84.055   268.543    55.391   39.439  8.9842  45.255  5.1353  -5.815479      10.34834 
1 1 1 -8  -49 44 o 27.320  6.5324  104.485    42.717   14.750     84.701   135.095    49.469   20.193  8.8943  31.021  6.7631  -10.82755      11.17352 
1 1 1 -8  -49 45 f 43.545  5.1228  249.442    53.092   209.683    99.059   265.467    62.888   35.419  10.657  44.325  6.0016  -8.905830      12.23059 
1 1 1 -8  -49 46 o 24.900  6.9201  88.364     43.314   -15.1486   85.482   124.121    50.241   18.644  8.5085  29.436  7.1135  -10.79222      11.09038 
1 1 1 -8  -49 47 o 36.932  5.7036  183.890    49.464   226.630    96.658   168.726    57.575   37.052  10.352  34.416  7.1291  2.635780       12.56923 
1 1 1 -8  -49 48 o 24.903  8.8316  91.376     66.876   111.026    128.630  84.096     78.289   27.403  11.488  24.437  9.3900  2.966286       14.83707 
1 1 1 -8  -49 49 o 15.917  7.0794  -3.5919    54.953   -232.8455  115.084  64.117     62.543   15.206  7.5944  22.100  8.4164  -6.894403      11.33623 
1 1 1 -8  -49 50 o 20.401  8.2120  45.410     62.384   -7.2870    125.531  62.694     71.891   21.945  10.124  22.406  8.8834  -0.4618034     13.46861 
1 1 1 -8  -49 51 o 46.494  5.6131  289.134    62.042   261.568    152.406  294.609    67.925   35.965  13.254  46.502  6.1724  -10.53726      14.62054 
1 1 1 -8  -49 52 o 10.870  5.2298  -52.1321   40.591   -13.7257   87.539   -62.6514   45.813   18.865  8.6098  11.319  5.4727  7.545919       10.20191 
1 1 1 -8  -49 53 f 34.141  6.6613  163.039    53.201   213.427    106.367  146.228    61.438   35.104  11.129  31.368  8.0361  3.736385       13.72679 
1 1 1 -8  -49 54 o 56.146  4.8712  410.984    65.705   473.917    125.484  387.213    77.122   55.179  9.7279  53.515  6.0454  1.664486       11.45330 
1 1 1 -8  -49 55 o 42.883  7.7888  266.871    78.059   334.708    164.691  247.216    88.649   39.849  13.881  39.780  9.3433  0.6901169E-01  16.73256 
1 1 1 -8  -49 56 o 63.563  6.5028  555.948    98.880   706.518    204.635  510.083    112.940  59.496  14.343  59.050  8.0956  0.4456291      16.46993 
1 1 1 -8  -49 57 o 21.692  8.4204  61.012     63.444   -104.9918  153.218  95.365     69.700   20.582  9.9658  25.099  9.0039  -4.517124      13.43083 
1 1 1 -8  -49 58 o 22.760  8.8152  71.815     69.409   41.310     158.413  79.063     77.216   24.659  11.375  23.600  9.2539  1.058434       14.66348 
1 1 1 -8  -48 1  o 19.467  8.4021  22.117     72.394   42.861     252.823  20.265     75.557   28.047  13.375  19.619  8.5255  8.427975       15.86143 
1 1 1 -8  -48 2  o 25.001  9.3688  90.858     76.777   152.410    293.962  86.352     79.537   30.881  14.639  24.675  9.4686  6.206327       17.43434 
1 1 1 -8  -48 3  o 18.012  8.0668  -2.2094    72.674   -487.0091  273.554  34.606     75.383   21.439  10.834  20.528  8.7097  0.9101162      13.90116 
1 1 1 -8  -48 4  o 23.287  9.3996  68.027     81.980   -175.6702  275.866  91.632     85.858   24.985  12.355  25.218  9.7939  -0.2327595     15.76592 
1 1 1 -8  -48 5  o 37.327  10.642  234.501    101.081  494.446    274.062  193.572    108.748  40.639  16.880  33.164  11.291  7.474834       20.30812 
1 1 1 -8  -48 6  o 35.565  10.551  212.252    97.612   238.592    278.302  208.557    104.233  32.730  15.090  34.750  11.016  -2.019680      18.68377 
1 1 1 -8  -48 7  o 23.655  9.6219  69.519     86.641   203.861    261.836  53.000     91.813   31.998  14.710  22.817  9.6426  9.180342       17.58883 
1 1 1 -8  -48 8  o 19.037  8.3997  9.1177     75.874   171.238    219.244  -12.9407   80.872   31.114  13.967  18.325  8.3293  12.78904       16.26247 
1 1 1 -8  -48 9  o 16.514  7.5856  -25.2667   69.430   -120.0001  211.593  -13.8361   73.499   23.800  11.568  17.560  7.9658  6.240082       14.04544 
1 1 1 -8  -48 10 o 30.669  9.7959  148.699    82.298   -260.7306  210.116  222.893    89.445   21.478  10.649  37.680  9.7194  -16.20185      14.41782 
1 1 1 -8  -48 11 o 38.603  9.8232  233.306    92.239   220.982    218.350  235.984    101.765  33.573  14.541  38.048  10.619  -4.474361      18.00555 
1 1 1 -8  -48 12 o 55.309  8.5655  444.098    111.234  411.704    235.681  453.382    126.171  41.489  16.195  54.436  9.9177  -12.94686      18.99048 
1 1 1 -8  -48 13 o 28.562  9.8496  123.741    82.821   -18.2638   203.301  151.997    90.687   26.275  12.370  31.062  10.309  -4.786720      16.10298 
1 1 1 -8  -48 14 o 48.201  8.5066  335.214    95.853   411.519    222.464  317.819    106.218  42.967  15.978  45.647  9.8770  -2.680206      18.78418 
1 1 1 -8  -48 15 o 43.807  8.9416  281.482    91.827   366.664    215.302  262.542    101.523  41.332  15.645  41.142  10.217  0.1898003      18.68577 
1 1 1 -8  -48 16 o 46.842  8.6346  316.093    94.523   456.082    214.556  282.380    105.291  46.657  15.860  42.781  10.273  3.875450       18.89584 
1 1 1 -8  -48 17 o 48.433  8.6964  337.099    98.442   255.064    202.918  362.348    112.577  36.673  14.793  49.283  9.7596  -12.60938      17.72271 
1 1 1 -8  -48 18 o 42.853  9.4338  271.782    95.434   424.963    206.707  230.285    107.587  45.942  15.567  38.058  11.018  7.884052       19.07181 
1 1 1 -8  -48 19 o 22.313  8.8609  52.999     71.637   -12.6118   181.822  65.056     77.942   26.184  12.116  23.692  9.2950  2.491934       15.27070 
1 1 1 -8  -48 20 o 76.378  4.8084  743.831    88.656   735.692    124.469  752.213    126.308  73.986  7.0174  74.790  7.0432  -0.8045731     9.942344 
1 1 1 -8  -48 21 o 41.609  7.0124  235.233    68.281   231.383    102.083  238.350    91.852   38.754  10.566  40.127  9.5685  -1.373680      14.25447 
1 1 1 -8  -48 22 o 53.340  5.5342  369.301    70.584   370.033    98.463   368.526    101.236  51.551  8.1421  51.207  8.4421  0.3444138      11.72866 
1 1 1 -8  -48 23 o 59.165  5.5500  453.483    78.744   479.888    102.902  416.172    122.321  59.582  7.2684  53.306  9.8190  6.276306       12.21649 
1 1 1 -8  -48 24 o 25.079  9.4385  79.537     78.087   79.537     78.087   0.0000     0.0000   25.079  9.4385  ?       ?       0.000000       9.438509 
1 1 1 -8  -48 25 o 39.085  9.1495  221.587    85.238   221.587    85.238   0.0000     0.0000   39.085  9.1495  ?       ?       0.000000       9.149537 
1 1 1 -8  -48 26 o 43.938  6.2068  255.136    64.330   149.345    87.469   379.776    94.942   31.710  10.096  52.728  7.6437  -21.01789      12.66304 
1 1 1 -8  -48 27 o 58.231  4.9474  433.106    69.241   417.076    101.150  447.241    94.983   55.206  7.7659  57.860  6.9017  -2.653744      10.38956 
1 1 1 -8  -48 28 o 29.152  7.1980  117.216    50.611   203.355    73.441   39.308     69.844   38.033  8.1996  21.237  8.6386  16.79646       11.91046 
1 1 1 -8  -48 29 o 61.749  4.5087  482.635    67.086   519.184    100.769  453.541    89.905   62.505  6.7515  58.625  6.4256  3.880234       9.320426 
1 1 1 -8  -48 30 o 33.297  6.5630  149.475    51.139   182.769    76.656   122.774    68.647   35.594  8.8995  29.275  8.8857  6.319347       12.57601 
1 1 1 -8  -48 31 o 37.662  5.8798  186.843    51.976   104.040    80.261   246.649    68.211   27.388  9.6792  42.858  6.7852  -15.47000      11.82057 
1 1 1 -8  -48 32 o 23.346  8.6623  67.321     65.315   -34.0809   83.044   231.778    105.757  18.132  8.3166  38.770  10.827  -20.63819      13.65234 
1 1 1 -8  -48 33 o 57.971  6.8724  449.397    94.786   382.625    126.285  535.547    143.444  50.311  10.675  60.296  10.166  -9.984440      14.74167 
1 1 1 -8  -48 34 o 60.480  11.052  556.503    156.207  0.0000     0.0000   556.503    156.207  ?       ?       60.480  11.052  0.000000       11.05174 
1 1 1 -8  -48 35 o 31.127  11.614  144.716    117.732  0.0000     0.0000   144.716    117.732  ?       ?       31.127  11.614  0.000000       11.61387 
1 1 1 -8  -48 36 o 70.854  10.977  762.476    182.609  0.0000     0.0000   762.476    182.609  ?       ?       70.854  10.977  0.000000       10.97671 
1 1 1 -8  -48 37 o 27.716  7.3331  107.152    50.079   85.205     85.445   118.636    61.808   25.732  9.8282  28.785  8.3565  -3.053429      12.90058 
1 1 1 -8  -48 38 o 43.602  5.2007  246.524    53.936   249.438    76.766   243.682    75.797   42.298  7.7660  41.801  7.7588  0.4967003      10.97773 
1 1 1 -8  -48 39 o 51.095  4.9236  335.733    60.285   343.933    87.443   328.306    83.226   50.015  7.4313  49.011  7.2142  1.004269       10.35709 
1 1 1 -8  -48 40 o 42.250  5.4694  233.751    54.754   272.004    80.318   200.538    74.840   44.085  7.7936  37.262  8.4696  6.823418       11.50975 
1 1 1 -8  -48 41 o 54.183  4.8376  377.361    62.931   390.236    90.156   365.127    87.884   53.436  7.1314  51.602  7.2165  1.834412       10.14567 
1 1 1 -8  -48 42 o 51.680  4.0378  337.991    50.230   245.267    87.647   383.341    61.295   40.679  9.1066  54.688  4.6638  -14.00863      10.23141 
1 1 1 -8  -48 43 o 32.400  5.1930  138.161    39.446   179.203    72.045   120.590    47.140   34.921  8.5672  29.489  6.7358  5.432079       10.89808 
1 1 1 -8  -48 44 o 24.339  6.3392  81.705     37.809   263.645    74.127   17.729     43.956   43.525  7.2759  16.388  6.7798  27.13632       9.945065 
1 1 1 -8  -48 45 o 20.906  6.8489  59.001     40.074   12.299     67.126   84.865     49.953   18.584  8.0557  24.461  7.6081  -5.876652      11.08052 
1 1 1 -8  -48 46 o 25.913  6.8938  94.648     44.103   151.257    86.025   74.464     51.367   30.929  10.030  23.111  7.7605  7.817621       12.68143 
1 1 1 -8  -48 47 o 20.314  7.0433  54.511     42.379   -7.6353    84.754   75.228     48.935   19.087  8.6158  23.139  7.5678  -4.051565      11.46744 
1 1 1 -8  -48 48 o 13.583  6.1314  -13.4544   42.926   10.664     90.039   -20.5485   48.832   20.449  9.0801  14.048  6.4188  6.401399       11.11975 
1 1 1 -8  -48 49 o 20.111  7.2054  52.429     44.624   8.8337     90.481   66.440     51.296   20.354  9.0664  22.053  7.7432  -1.698608      11.92298 
1 1 1 -8  -48 50 o 20.508  8.2230  45.358     62.287   7.0928     123.568  58.392     72.120   22.588  10.278  22.216  8.8692  0.3723049      13.57585 
1 1 1 -8  -48 51 o 51.901  7.4362  380.448    90.971   422.906    161.913  360.863    109.969  47.018  13.489  48.213  9.7356  -1.195057      16.63565 
1 1 1 -8  -48 52 o 17.018  7.4451  5.1504     58.468   -33.0653   120.320  16.964     66.898   20.861  9.7221  18.724  8.0792  2.136911       12.64095 
1 1 1 -8  -48 53 o 18.838  7.1557  41.312     45.137   -29.6317   95.803   61.552     51.172   19.035  8.8033  21.484  7.7141  -2.449493      11.70488 
1 1 1 -8  -48 54 o 68.265  4.6136  600.110    75.970   352.145    136.801  710.682    91.352   44.529  12.269  73.812  5.1326  -29.28312      13.29925 
1 1 1 -8  -48 55 f 20.119  7.2635  52.111     45.437   45.478     94.054   54.131     51.894   22.653  9.6730  20.702  7.7133  1.951195       12.37178 
1 1 1 -8  -48 56 o 46.607  7.4590  307.990    81.506   159.556    171.943  351.011    92.568   30.566  13.066  49.275  8.0179  -18.70910      15.32998 
1 1 1 -8  -48 57 o 20.556  8.2578  46.144     62.946   -133.5505  153.538  82.448     69.012   20.268  9.8520  24.117  8.9129  -3.849123      13.28538 
1 1 1 -8  -48 58 o 14.393  6.7250  -37.1127   58.158   191.749    149.687  -77.8027   63.116   31.722  12.737  13.336  6.4419  18.38557       14.27377 
1 1 1 -8  -48 59 o 18.850  8.0818  23.241     66.140   -89.6178   144.028  53.401     74.454   20.390  9.8203  21.634  8.8731  -1.243639      13.23519 
1 1 1 -8  -47 1  o 45.130  10.642  331.829    114.636  0.0000     0.0000   331.829    114.636  ?       ?       45.130  10.642  0.000000       10.64184 
1 1 1 -8  -47 2  o 28.336  10.232  126.754    90.179   484.007    271.569  82.478     95.603   41.277  16.940  25.025  10.133  16.25114       19.73940 
1 1 1 -8  -47 3  f 37.476  10.356  229.353    97.298   177.181    286.615  236.148    103.441  31.828  14.890  37.593  10.781  -5.764177      18.38318 
1 1 1 -8  -47 4  o 27.746  10.180  119.291    89.780   226.586    270.895  106.051    95.158   33.079  15.116  26.741  10.331  6.337887       18.30938 
1 1 1 -8  -47 5  o 24.996  9.7957  85.137     86.488   174.921    263.792  74.323     91.548   31.881  14.696  24.395  9.9027  7.486338       17.72139 
1 1 1 -8  -47 6  o 27.355  10.067  113.130    87.892   239.041    227.830  91.115     95.266   34.016  14.793  25.785  10.225  8.231409       17.98285 
1 1 1 -8  -47 7  o 25.015  9.8376  82.889     87.503   463.171    224.064  14.456     95.050   44.553  16.123  21.156  9.3647  23.39741       18.64513 
1 1 1 -8  -47 8  o 36.567  10.106  210.985    92.659   505.413    231.831  155.009    101.084  46.720  16.457  31.038  10.871  15.68221       19.72341 
1 1 1 -8  -47 9  o 34.156  10.239  184.132    91.571   173.167    212.732  186.625    101.451  32.509  14.212  33.922  10.881  -1.413731      17.89913 
1 1 1 -8  -47 10 o 20.864  8.8671  28.808     78.361   -67.3291   195.690  47.167     85.516   24.978  11.871  22.633  9.4173  2.345016       15.15254 
1 1 1 -8  -47 11 o 43.412  9.6243  282.643    98.718   135.729    225.562  317.449    109.790  31.936  14.264  45.560  10.187  -13.62413      17.52789 
1 1 1 -8  -47 12 o 20.867  8.8857  26.129     78.971   126.607    191.467  5.5324     86.687   31.159  13.556  20.333  8.9747  10.82606       16.25751 
1 1 1 -8  -47 13 o 31.827  9.6345  151.657    80.784   396.761    202.267  105.139    88.117   44.758  15.395  27.414  10.082  17.34341       18.40223 
1 1 1 -8  -47 14 o 65.555  7.3302  582.951    114.602  454.509    236.353  622.429    131.036  46.388  16.587  66.852  8.2534  -20.46378      18.52668 
1 1 1 -8  -47 15 o 85.211  6.7547  964.544    138.514  1276.95    266.862  849.341    162.053  89.310  12.670  77.737  8.7431  11.57259       15.39374 
1 1 1 -8  -47 16 o 34.393  9.4947  174.341    81.837   192.344    195.072  170.495    90.154   34.798  14.328  33.676  10.174  1.122200       17.57291 
1 1 1 -8  -47 17 o 22.666  9.0586  51.643     75.319   1.7614     170.305  63.772     83.978   26.492  12.059  24.191  9.5979  2.300606       15.41235 
1 1 1 -8  -47 18 o 20.951  8.5515  36.237     68.737   -112.4780  176.539  62.811     74.625   23.615  11.238  23.576  9.1378  0.3937912E-01  14.48444 
1 1 1 -8  -47 19 o 42.293  8.9054  254.083    88.498   200.508    196.507  267.714    99.119   35.683  14.500  42.834  9.7550  -7.151714      17.47581 
1 1 1 -8  -47 20 o 49.456  8.4410  339.502    97.657   257.534    201.334  364.720    111.673  38.643  15.000  50.516  9.4583  -11.87380      17.73329 
1 1 1 -8  -47 21 o 56.150  9.2643  445.250    121.817  0.0000     0.0000   445.250    121.817  ?       ?       56.150  9.2643  0.000000       9.264348 
1 1 1 -8  -47 22 o 36.181  9.7357  190.811    87.347   328.448    185.783  151.752    98.968   43.270  14.758  32.173  10.772  11.09715       18.27082 
1 1 1 -8  -47 23 o 29.919  12.957  76.637     173.324  76.637     173.324  0.0000     0.0000   29.919  12.957  ?       ?       0.000000       12.95683 
1 1 1 -8  -47 24 o 51.347  14.874  457.268    196.003  457.268    196.003  0.0000     0.0000   51.347  14.874  ?       ?       0.000000       14.87376 
1 1 1 -8  -47 25 o 25.297  7.7040  86.792     51.541   68.623     76.395   101.970    69.826   24.363  9.2961  27.289  9.0455  -2.926086      12.97066 
1 1 1 -8  -47 26 o 24.026  6.9850  77.607     43.156   94.640     75.972   69.492     52.438   26.713  9.4196  23.172  7.8407  3.540564       12.25579 
1 1 1 -8  -47 27 o 60.978  4.7451  470.143    69.655   424.781    101.193  510.990    96.024   56.213  7.6151  62.574  6.4152  -6.360737      9.957095 
1 1 1 -8  -47 28 o 63.717  4.5180  511.186    69.398   527.227    105.257  498.852    92.300   63.170  6.9840  61.947  6.2249  1.222527       9.355509 
1 1 1 -8  -47 29 o 32.719  6.4509  142.638    49.392   148.351    80.034   139.123    62.772   32.149  9.5578  31.618  8.1351  0.5309277      12.55115 
1 1 1 -8  -47 30 o 17.783  6.8885  29.956     42.389   20.537     67.726   36.023     54.351   19.794  8.3188  19.689  7.7500  0.1053200      11.36946 
1 1 1 -8  -47 31 o 55.300  4.7498  387.260    63.115   313.940    96.978   441.135    83.130   47.466  8.7424  58.374  5.9524  -10.90763      10.57648 
1 1 1 -8  -47 32 o 10.566  5.0856  -54.0188   38.480   3.5989     66.347   -83.2246   47.236   18.435  7.9999  10.959  5.3572  7.475462       9.627936 
1 1 1 -8  -47 33 o 21.869  8.1505  55.143     57.951   0.0000     0.0000   55.143     57.951   ?       ?       21.869  8.1505  0.000000       8.150464 
1 1 1 -8  -47 34 o 29.230  11.010  114.256    106.301  0.0000     0.0000   114.256    106.301  ?       ?       29.230  11.010  0.000000       11.01014 
1 1 1 -8  -47 35 o 61.531  10.798  558.705    155.327  0.0000     0.0000   558.705    155.327  ?       ?       61.531  10.798  0.000000       10.79754 
1 1 1 -8  -47 36 o 38.321  9.3888  212.474    86.614   263.274    119.023  155.291    126.279  41.215  11.477  32.466  12.045  8.749081       16.63759 
1 1 1 -8  -47 37 o 16.723  7.1242  8.2856     50.801   37.784     60.330   -63.5987   94.178   20.329  8.1131  18.206  8.5230  2.122744       11.76705 
1 1 1 -8  -47 38 o 15.550  6.9783  -15.3412   54.678   13.592     65.020   -85.2141   101.042  18.864  8.0485  18.128  8.5903  0.7360954      11.77165 
1 1 1 -8  -47 39 o 28.247  6.8535  109.068    46.495   26.389     68.215   180.803    63.540   20.107  8.3924  36.231  7.4757  -16.12468      11.23916 
1 1 1 -8  -47 40 o 75.253  4.3835  714.612    79.694   572.084    113.111  855.108    112.302  65.142  7.2807  81.256  5.7328  -16.11330      9.266755 
1 1 1 -8  -47 41 o 64.960  3.5403  526.087    55.591   552.941    101.751  514.661    66.373   64.543  6.5896  63.838  4.3102  0.7050133      7.874017 
1 1 1 -8  -47 42 o 20.217  6.1500  54.243     32.858   22.018     62.086   66.781     38.726   19.042  7.9817  22.231  6.6575  -3.189070      10.39368 
1 1 1 -8  -47 43 f 17.121  6.0991  34.667     31.929   -27.8032   61.264   57.962     37.411   15.641  7.1629  20.870  6.5982  -5.228046      9.738750 
1 1 1 -8  -47 44 o 54.216  4.0564  371.125    52.975   376.782    92.983   368.407    64.459   52.258  7.5521  53.465  5.0278  -1.206532      9.072664 
1 1 1 -8  -47 45 o 11.822  5.2071  -4.9101    29.032   -68.5948   59.174   15.279     33.318   13.349  6.3943  14.725  5.9752  -1.375955      8.751575 
1 1 1 -8  -47 46 o 25.365  6.0409  87.597     36.647   191.697    70.129   48.493     42.982   36.529  8.1224  19.736  7.0716  16.79305       10.76941 
1 1 1 -8  -47 47 o 47.327  5.0656  290.967    57.268   240.232    106.684  311.505    67.876   38.502  10.917  48.438  5.8969  -9.935745      12.40816 
1 1 1 -8  -47 48 o 26.817  7.1205  101.558    47.110   99.900     92.282   102.143    54.786   26.602  10.201  26.615  7.9067  -0.1267242E-01 12.90662 
1 1 1 -8  -47 49 o 33.243  6.4404  151.680    50.073   278.631    96.925   105.462    58.482   42.690  9.5913  26.881  8.2109  15.80842       12.62583 
1 1 1 -8  -47 50 o 37.545  6.4260  192.667    56.435   204.934    148.960  190.612    60.981   33.562  12.938  36.923  7.0640  -3.361546      14.74037 
1 1 1 -8  -47 51 o 44.794  9.6954  308.763    102.322  0.0000     0.0000   308.763    102.322  ?       ?       44.794  9.6954  0.000000       9.695429 
1 1 1 -8  -47 52 o 38.251  8.6636  217.699    78.543   268.842    144.576  196.285    93.553   37.812  13.015  34.865  10.326  2.946980       16.61398 
1 1 1 -8  -47 53 o 38.774  8.4737  221.693    77.496   199.623    136.814  232.120    94.036   33.380  12.507  38.329  10.004  -4.948246      16.01596 
1 1 1 -8  -47 54 o 40.787  5.7186  221.883    55.039   229.920    105.144  218.850    64.597   37.264  10.923  39.682  6.9629  -2.418167      12.95327 
1 1 1 -8  -47 55 o 40.806  5.7350  222.041    55.216   200.715    109.885  229.245    63.864   34.459  11.344  40.854  6.6730  -6.394764      13.16088 
1 1 1 -8  -47 56 o 22.447  7.4122  69.678     46.902   60.368     100.983  72.239     52.961   24.102  10.145  22.881  7.8772  1.220688       12.84409 
1 1 1 -8  -47 57 f 17.382  7.5962  5.7294     60.716   -39.2979   151.684  14.320     66.256   22.860  10.738  18.563  8.0248  4.297537       13.40550 
1 1 1 -8  -47 58 o 32.670  9.2962  165.774    77.212   297.966    170.029  131.432    86.663   38.020  14.001  28.881  10.069  9.139513       17.24544 
1 1 1 -8  -47 59 o 19.585  8.1643  32.619     64.444   56.777     171.373  28.640     69.549   26.461  12.065  19.720  8.3663  6.740870       14.68197 
1 1 1 -8  -47 60 o 15.185  7.0093  -27.0898   60.301   -67.5587   174.722  -21.6178   64.249   22.803  10.940  15.971  7.3218  6.831578       13.16406 
1 1 1 -8  -46 1  o 30.380  8.3489  137.113    63.444   61.418     96.908   193.892    83.930   23.896  9.9908  35.277  9.5648  -11.38115      13.83120 
1 1 1 -8  -46 2  o 18.856  7.6896  31.683     55.516   13.041     88.381   43.832     71.349   20.524  9.0603  21.152  8.6821  -0.6285954     12.54860 
1 1 1 -8  -46 3  o 18.365  7.6132  25.594     55.592   57.292     90.197   6.1762     70.594   23.353  9.6905  18.522  8.1401  4.830574       12.65572 
1 1 1 -8  -46 4  o 38.364  7.0660  204.792    63.351   316.138    99.107   127.862    82.379   45.996  9.2014  28.902  9.8271  17.09450       13.46250 
1 1 1 -8  -46 5  o 59.131  5.2538  455.107    74.595   495.269    112.316  423.410    99.780   59.186  8.0281  54.997  7.6873  4.189186       11.11505 
1 1 1 -8  -46 6  o 37.921  7.0808  198.921    62.756   347.135    96.616   90.752     82.538   49.258  8.3839  25.779  9.7034  23.47935       12.82368 
1 1 1 -8  -46 7  o 52.670  5.5069  362.292    69.337   381.609    104.641  347.172    92.578   51.560  8.6720  49.757  7.9348  1.803284       11.75432 
1 1 1 -8  -46 8  o 12.829  6.0116  -39.1192   47.053   -57.3152   69.739   -23.9145   63.750   15.341  7.2294  16.173  7.3681  -0.8318071     10.32243 
1 1 1 -8  -46 9  o 53.092  5.3035  364.705    67.407   361.188    100.974  367.532    90.533   50.487  8.5476  51.842  7.4079  -1.354309      11.31093 
1 1 1 -8  -46 10 o 68.185  4.8404  592.818    79.561   611.806    115.561  575.707    109.701  67.382  7.1787  65.496  7.0118  1.885422       10.03487 
1 1 1 -8  -46 11 o 41.009  6.6236  225.259    63.662   280.576    90.588   171.282    89.485   44.457  8.7093  33.782  10.121  10.67562       13.35225 
1 1 1 -8  -46 12 o 27.834  7.8209  108.051    55.008   13.552     77.856   202.242    77.730   20.210  8.7181  37.680  8.6806  -17.46935      12.30278 
1 1 1 -8  -46 13 o 68.911  4.7929  602.307    79.642   610.507    115.743  594.934    109.756  67.627  7.1626  67.012  6.8463  0.6152115      9.908259 
1 1 1 -8  -46 14 o 56.577  5.0830  408.500    69.034   388.530    100.828  426.123    94.716   53.284  8.0497  56.555  7.0557  -3.271152      10.70424 
1 1 1 -8  -46 15 o 24.753  7.8823  82.517     53.317   51.080     75.797   113.305    75.012   22.836  9.1000  28.490  9.3721  -5.654501      13.06318 
1 1 1 -8  -46 16 o 63.125  4.9302  505.277    74.916   506.352    107.051  504.246    104.876  61.664  7.2962  61.645  7.1440  0.1947021E-01  10.21133 
1 1 1 -8  -46 17 o 58.083  5.2091  429.897    72.633   434.316    102.152  425.380    103.295  56.923  7.5848  56.189  7.7856  0.7335892      10.86948 
1 1 1 -8  -46 18 o 27.941  8.0289  107.315    57.319   49.292     75.029   188.647    88.831   22.749  9.0575  36.121  9.8595  -13.37211      13.38831 
1 1 1 -8  -46 19 o 26.554  9.3914  91.840     75.572   -240.2696  172.404  170.831    84.081   20.894  10.218  34.522  9.6584  -13.62829      14.06014 
1 1 1 -8  -46 20 o 30.103  9.7550  126.639    81.390   134.042    176.993  124.654    91.655   33.110  13.642  30.041  10.361  3.069593       17.13093 
1 1 1 -8  -46 21 o 13.917  6.6581  -77.0932   63.699   -46.4589   145.546  -84.3512   70.844   23.882  10.975  14.671  7.0196  9.210685       13.02766 
1 1 1 -8  -46 22 o 24.246  11.225  -61.1117   156.388  -61.1117   156.388  0.0000     0.0000   24.246  11.225  ?       ?       0.000000       11.22538 
1 1 1 -8  -46 23 o 22.449  10.492  -81.4435   141.736  -81.4435   141.736  0.0000     0.0000   22.449  10.492  ?       ?       0.000000       10.49205 
1 1 1 -8  -46 24 o 50.773  7.7665  345.413    92.638   464.927    181.456  303.281    107.736  54.002  13.797  46.196  9.9087  7.806854       16.98688 
1 1 1 -8  -46 25 o 31.803  8.5226  140.171    67.099   262.317    163.099  115.286    73.617   40.638  13.827  28.979  9.2658  11.65909       16.64495 
1 1 1 -8  -46 26 o 69.512  6.3339  623.831    105.657  797.054    204.224  560.520    123.465  73.648  11.829  64.706  8.0369  8.941734       14.30075 
1 1 1 -8  -46 27 o 35.315  8.3243  171.853    70.165   412.768    167.365  120.482    77.284   51.268  13.330  29.561  9.4982  21.70719       16.36767 
1 1 1 -8  -46 28 o 67.831  4.3521  575.364    71.252   632.876    108.820  532.204    94.269   69.919  6.4883  64.302  6.1157  5.616615       8.916216 
1 1 1 -8  -46 29 o 20.772  6.9561  53.986     41.270   63.874     69.349   48.564     51.353   23.705  8.8999  20.830  7.6903  2.874977       11.76223 
1 1 1 -8  -46 30 o 54.695  5.1858  379.822    67.999   443.393    116.701  347.144    83.671   57.000  8.7148  51.422  6.8783  5.577682       11.10221 
1 1 1 -8  -46 31 o 17.285  6.9159  22.797     43.956   -37.4495   83.964   45.541     51.590   18.406  8.4128  20.515  7.6814  -2.108473      11.39203 
1 1 1 -8  -46 32 o 24.115  8.2179  74.560     57.610   0.0000     0.0000   74.560     57.610   ?       ?       24.115  8.2179  0.000000       8.217930 
1 1 1 -8  -46 33 o 12.726  5.9555  -40.3703   45.914   0.0000     0.0000   -40.3703   45.914   ?       ?       12.726  5.9555  0.000000       5.955529 
1 1 1 -8  -46 34 o 35.002  7.9257  167.792    65.747   0.0000     0.0000   167.792    65.747   ?       ?       35.002  7.9257  0.000000       7.925663 
1 1 1 -8  -46 35 o 19.578  7.2234  42.502     45.292   29.454     75.446   49.854     56.633   21.329  8.8577  21.347  8.0372  -0.1795006E-01 11.96052 
1 1 1 -8  -46 36 o 14.581  6.5165  -13.9945   47.164   13.764     55.596   -85.2574   89.080   17.922  7.5348  16.980  8.0519  0.9424877      11.02754 
1 1 1 -8  -46 37 o 44.488  7.5381  266.626    78.465   241.958    97.662   311.546    131.787  40.913  9.9367  45.096  11.879  -4.183380      15.48688 
1 1 1 -8  -46 38 o 58.197  6.4650  442.536    89.750   494.816    113.885  356.852    145.796  60.523  7.9472  47.746  12.455  12.77699       14.77405 
1 1 1 -8  -46 39 o 20.403  8.0763  38.516     59.335   54.308     73.382   8.6925     100.843  22.950  9.0142  22.283  9.7626  0.6665573      13.28771 
1 1 1 -8  -46 40 o 55.322  6.8996  405.703    90.604   271.782    113.010  646.668    151.590  42.481  10.908  67.677  9.4924  -25.19676      14.45965 
1 1 1 -8  -46 41 o 61.554  3.8718  473.377    57.533   459.774    96.834   480.798    71.526   58.859  6.9119  61.548  4.8282  -2.689495      8.431216 
1 1 1 -8  -46 42 o 29.240  5.2666  111.722    35.991   148.908    67.714   97.081     42.489   32.390  8.5066  26.766  6.5871  5.624704       10.75875 
1 1 1 -8  -46 43 o 25.676  5.8499  88.058     35.632   184.280    67.561   50.981     41.938   36.376  7.8822  20.203  7.0066  16.17295       10.54613 
1 1 1 -8  -46 44 o 64.612  3.8219  522.362    59.651   688.944    101.922  435.572    73.567   72.838  5.8154  58.186  5.2679  14.65192       7.846652 
1 1 1 -8  -46 45 o 45.249  4.3147  259.649    46.797   254.008    83.103   262.268    56.630   42.387  8.3771  45.004  5.2867  -2.616619      9.905826 
1 1 1 -8  -46 46 o 21.207  6.3628  60.315     35.350   112.984    70.464   42.601     40.864   28.008  9.0768  18.958  6.8815  9.049711       11.39047 
1 1 1 -8  -46 47 f 43.002  4.4887  236.173    46.144   203.106    83.351   250.787    55.410   36.987  9.2977  43.902  5.3096  -6.914459      10.70692 
1 1 1 -8  -46 48 o 37.150  5.8846  183.588    51.276   117.136    97.699   208.852    60.240   28.403  10.583  39.281  6.5510  -10.87857      12.44671 
1 1 1 -8  -46 49 o 62.356  4.8199  499.332    72.359   603.693    171.571  476.753    79.804   60.801  12.056  60.423  5.5036  0.3781624      13.25238 
1 1 1 -8  -46 50 o 37.199  6.6813  189.462    58.090   338.612    151.844  163.891    62.872   43.207  13.236  33.853  7.8128  9.354065       15.36990 
1 1 1 -8  -46 51 o 19.336  7.1480  44.824     44.394   -6.3655    94.241   59.422     50.328   20.193  9.1029  21.395  7.6535  -1.202150      11.89281 
1 1 1 -8  -46 52 o 27.693  9.0570  113.865    70.090   332.869    132.399  28.593     82.615   44.189  12.027  21.089  9.0370  23.10021       15.04347 
1 1 1 -8  -46 53 o 32.623  10.073  167.544    87.746   0.0000     0.0000   167.544    87.746   ?       ?       32.623  10.073  0.000000       10.07314 
1 1 1 -8  -46 54 o 12.478  5.8957  -43.9475   46.938   -113.8118  113.404  -29.5043   51.562   18.003  8.6812  14.007  6.4710  3.996479       10.82765 
1 1 1 -8  -46 55 o 67.943  4.5241  590.162    74.157   567.233    135.956  599.872    88.477   61.835  9.3537  67.756  5.4272  -5.920475      10.81414 
1 1 1 -8  -46 56 o 35.985  6.3927  176.221    53.772   214.349    110.091  164.275    61.623   35.909  11.315  33.943  7.6637  1.966408       13.66619 
1 1 1 -8  -46 57 o 35.449  6.3287  170.864    52.438   253.471    110.913  147.083    59.510   39.273  11.130  32.011  7.7456  7.262058       13.56004 
1 1 1 -8  -46 58 o 35.078  9.6052  190.270    84.152   0.0000     0.0000   190.270    84.152   ?       ?       35.078  9.6052  0.000000       9.605189 
1 1 1 -8  -46 59 o 29.423  9.5989  133.760    78.747   0.0000     0.0000   133.760    78.747   ?       ?       29.423  9.5989  0.000000       9.598946 
1 1 1 -8  -46 60 o 19.975  8.4250  30.697     69.871   0.0000     0.0000   30.697     69.871   ?       ?       19.975  8.4250  0.000000       8.425003 
1 1 1 -8  -46 61 o 22.684  8.9922  64.739     73.653   43.746     187.737  68.558     80.073   26.438  12.261  23.274  9.3265  3.163740       15.40507 
1 1 1 -8  -45 1  o 13.954  6.4643  -31.8328   51.979   18.735     80.419   -68.1179   68.122   20.325  8.8138  14.570  6.9469  5.754484       11.22241 
1 1 1 -8  -45 2  o 29.710  8.2595  128.581    61.693   126.186    96.050   130.263    80.492   28.912  10.542  29.341  9.7111  -0.4285450     14.33297 
1 1 1 -8  -45 3  o 45.175  6.4776  274.838    68.972   333.870    108.090  234.293    89.579   47.118  9.7748  39.495  9.4701  7.622772       13.60993 
1 1 1 -8  -45 4  o 52.798  5.5931  364.258    70.562   372.160    108.270  358.423    93.033   50.556  9.1635  50.746  7.8058  -0.1893044     12.03745 
1 1 1 -8  -45 5  o 20.507  7.7522  48.152     52.815   108.584    81.805   4.9559     69.162   27.621  9.7707  18.587  8.1155  9.034037       12.70152 
1 1 1 -8  -45 6  o 24.445  7.7907  81.989     52.076   -8.8669    82.401   142.409    67.196   19.268  8.6123  31.450  8.5714  -12.18182      12.15072 
1 1 1 -8  -45 7  o 34.522  7.0637  162.801    57.174   168.813    85.734   157.986    76.727   33.673  9.8611  32.889  9.2351  0.7836914      13.51029 
1 1 1 -8  -45 8  o 60.380  5.0582  465.835    73.424   524.161    111.540  421.234    97.537   62.252  7.5381  55.863  7.3762  6.388237       10.54659 
1 1 1 -8  -45 9  o 54.825  5.2363  385.221    68.810   310.766    104.224  442.752    91.615   46.432  9.5692  57.911  6.6398  -11.47937      11.64716 
1 1 1 -8  -45 10 o 68.248  4.7676  589.370    78.454   596.373    114.908  583.256    107.377  66.959  7.1849  66.556  6.7420  0.4025955      9.852800 
1 1 1 -8  -45 11 o 45.930  5.8643  273.825    63.862   261.958    90.794   285.444    89.842   43.138  8.9669  45.408  8.4656  -2.270477      12.33177 
1 1 1 -8  -45 12 o 25.222  7.6853  85.843     51.280   154.171    75.257   26.620     70.064   32.967  9.1067  20.534  8.5324  12.43327       12.47935 
1 1 1 -8  -45 13 o 23.907  7.6192  75.526     49.808   94.947     72.838   58.468     68.263   26.772  9.2367  23.048  8.7891  3.723354       12.75007 
1 1 1 -8  -45 14 o 42.378  5.8721  232.553    58.758   245.699    85.668   220.874    80.743   42.136  8.6683  39.942  8.5867  2.193832       12.20126 
1 1 1 -8  -45 15 o 49.733  5.3833  315.694    63.924   271.573    90.964   358.743    89.851   44.352  8.7634  52.024  7.3205  -7.671692      11.41871 
1 1 1 -8  -45 16 o 29.733  7.5167  119.947    54.258   136.945    76.212   102.476    77.263   31.305  9.3314  27.779  9.5167  3.525911       13.32829 
1 1 1 -8  -45 17 o 15.333  6.7655  -8.8846    49.224   -20.5495   69.984   2.5360     69.247   17.573  7.8899  18.892  8.1856  -1.319227      11.36906 
1 1 1 -8  -45 18 o 48.083  5.5957  295.728    64.064   285.246    91.047   306.008    90.160   45.750  8.5152  47.670  8.0837  -1.919506      11.74114 
1 1 1 -8  -45 19 o 20.517  7.6309  45.668     50.748   23.564     69.409   71.055     74.386   20.419  8.4893  24.776  9.2341  -4.357067      12.54339 
1 1 1 -8  -45 20 o 58.904  7.3389  455.974    102.616  455.974    102.616  0.0000     0.0000   58.904  7.3389  ?       ?       0.000000       7.338869 
1 1 1 -8  -45 21 o 54.698  7.7942  397.349    100.520  397.349    100.520  0.0000     0.0000   54.698  7.7942  ?       ?       0.000000       7.794205 
1 1 1 -8  -45 22 o 15.093  6.9888  -42.6744   60.654   -69.9748   64.967   142.701    169.290  14.470  6.8659  33.973  13.580  -19.50282      15.21658 
1 1 1 -8  -45 23 o 17.452  7.2117  15.939     49.656   -4.0920    67.244   39.961     73.638   18.272  7.9894  22.144  8.9190  -3.871889      11.97411 
1 1 1 -8  -45 24 o 25.122  7.9167  82.968     53.891   -102.8624  149.120  110.884    57.797   22.653  10.643  28.624  8.0075  -5.970322      13.31889 
1 1 1 -8  -45 25 o 12.101  5.6368  -34.0424   40.366   -15.3767   131.362  -35.9886   42.418   24.257  10.856  12.379  5.7702  11.87819       12.29409 
1 1 1 -8  -45 26 o 34.854  7.8727  164.261    65.007   179.196    158.982  161.263    71.234   35.856  13.473  34.269  8.5849  1.587791       15.97554 
1 1 1 -8  -45 27 o 28.019  7.7580  105.785    54.545   -38.7111   140.410  131.466    59.194   24.088  10.959  31.155  7.8374  -7.067255      13.47297 
1 1 1 -8  -45 28 o 11.804  5.4987  -32.6428   38.421   -188.2186  137.383  -19.4427   40.018   19.310  9.3708  13.002  5.8898  6.308498       11.06810 
1 1 1 -8  -45 29 o 17.267  7.3707  5.5451     54.578   180.473    145.898  -22.9169   58.851   35.711  12.997  15.934  7.1873  19.77636       14.85158 
1 1 1 -8  -45 30 o 20.458  7.5537  45.780     49.547   354.966    149.997  7.9126     52.494   48.517  12.622  17.161  7.2738  31.35624       14.56744 
1 1 1 -8  -45 31 o 15.904  6.8400  1.2860     47.639   0.0000     0.0000   1.2860     47.639   ?       ?       15.904  6.8400  0.000000       6.839969 
1 1 1 -8  -45 32 o 61.824  6.0878  489.708    90.139   0.0000     0.0000   489.708    90.139   ?       ?       61.824  6.0878  0.000000       6.087831 
1 1 1 -8  -45 33 o 50.304  4.9524  319.492    59.665   318.922    92.817   319.894    77.889   48.731  8.1367  49.590  6.6399  -0.8595772     10.50208 
1 1 1 -8  -45 34 o ?       ?       -107.7560  27.049   -138.3765  36.742   -71.5198   39.969   ?       ?       10.123  4.9441  0.000000       4.944140 
1 1 1 -8  -45 35 o 39.983  5.3339  204.362    50.456   202.502    72.669   206.093    70.110   38.654  8.0111  39.172  7.6508  -0.5177383     11.07755 
1 1 1 -8  -45 36 o 21.153  7.0442  56.099     42.328   28.233     59.597   84.464     60.128   19.707  7.9934  25.416  8.3924  -5.708696      11.58998 
1 1 1 -8  -45 37 o 26.707  6.6205  95.139     42.687   117.441    60.873   73.561     59.877   29.297  8.2257  24.165  8.3725  5.131401       11.73716 
1 1 1 -8  -45 38 o 26.888  8.6016  97.141     63.435   115.543    79.425   64.725     105.416  29.110  9.6471  26.214  10.632  2.895487       14.35609 
1 1 1 -8  -45 39 o 46.109  7.3254  282.985    79.215   228.630    97.889   386.114    134.836  39.852  10.108  51.326  11.146  -11.47392      15.04696 
1 1 1 -8  -45 40 o 24.655  6.4987  81.152     39.427   1.0459     74.182   112.690    46.545   19.305  8.4176  28.988  6.7445  -9.682507      10.78625 
1 1 1 -8  -45 41 o 40.047  5.6865  207.578    53.703   290.050    96.190   170.230    64.731   45.569  9.0188  35.284  7.7709  10.28521       11.90488 
1 1 1 -8  -45 42 o 50.345  4.0664  317.451    49.251   341.587    84.680   305.113    60.544   50.718  7.0736  48.879  5.1840  1.838963       8.769826 
1 1 1 -8  -45 43 o 64.206  3.8872  514.298    60.273   567.127    103.519  487.203    74.135   65.816  6.5700  61.947  4.9742  3.869705       8.240565 
1 1 1 -8  -45 44 o 51.521  4.0651  332.985    50.405   440.157    87.387   279.552    61.703   58.022  6.3088  46.504  5.5797  11.51818       8.422230 
1 1 1 -8  -45 45 o 58.837  3.9482  433.367    56.039   492.997    96.135   402.676    68.968   61.169  6.5807  56.120  5.1213  5.048534       8.338680 
1 1 1 -8  -45 46 o 37.321  4.7642  178.493    42.158   111.071    76.785   207.588    50.441   28.086  9.4879  40.038  5.3242  -11.95137      10.87967 
1 1 1 -8  -45 47 o 23.233  6.2034  72.776     35.628   84.866     68.626   68.315     41.685   25.221  8.9462  22.540  6.9401  2.681084       11.32255 
1 1 1 -8  -45 48 o 19.877  6.5068  51.253     36.174   34.758     68.365   57.667     42.630   20.673  8.4936  21.056  7.0697  -0.3833961     11.05088 
1 1 1 -8  -45 49 o 56.165  4.6881  402.524    63.304   419.167    114.584  395.213    75.947   53.962  9.0733  54.960  5.7818  -0.9982986     10.75885 
1 1 1 -8  -45 50 o 40.681  5.7504  218.311    55.179   186.551    104.359  230.636    65.010   34.266  11.040  41.253  6.7265  -6.987343      12.92789 
1 1 1 -8  -45 51 o 27.849  7.1325  108.457    48.408   156.916    95.801   91.841     56.097   31.739  10.598  25.501  8.0815  6.237337       13.32809 
1 1 1 -8  -45 52 f 20.349  7.1757  52.773     44.089   73.648     91.079   46.385     50.385   24.830  9.9478  20.021  7.5711  4.808222       12.50122 
1 1 1 -8  -45 53 o 16.059  7.2118  -12.6114   58.512   73.841     118.052  -40.7671   67.370   26.051  10.967  15.704  7.3039  10.34773       13.17696 
1 1 1 -8  -45 54 o 20.356  8.1004  42.417     59.980   57.689     127.487  38.075     67.973   25.635  11.107  20.649  8.4747  4.985998       13.97081 
1 1 1 -8  -45 55 o 35.976  6.6598  177.084    55.994   236.822    143.216  166.305    60.837   36.458  12.925  34.327  7.5126  2.130772       14.94950 
1 1 1 -8  -45 56 o 36.464  6.4640  180.571    55.097   225.301    110.262  165.685    63.607   37.099  11.262  34.065  7.8558  3.033688       13.73088 
1 1 1 -8  -45 57 o 19.234  7.3132  41.478     47.175   91.112     102.180  28.032     53.182   26.502  10.564  18.465  7.5278  8.036329       12.97189 
1 1 1 -8  -45 58 f 62.824  6.6901  532.357    100.412  668.424    216.713  495.160    113.309  59.381  15.028  59.256  8.0923  0.1250076      17.06819 
1 1 1 -8  -45 59 o 18.149  8.0126  0.9072     69.141   -106.5707  176.682  20.343     75.133   22.912  10.995  19.977  8.5908  2.935312       13.95315 
1 1 1 -8  -45 60 o 40.824  8.6050  244.677    82.550   -85.8108   203.461  309.802    90.318   24.622  11.811  46.304  8.3458  -21.68201      14.46210 
1 1 1 -8  -45 61 o 21.528  8.6348  51.196     68.706   19.785     191.162  55.855     73.626   26.434  12.298  22.210  8.9278  4.224512       15.19655 
1 1 1 -8  -44 1  f 32.001  7.9615  145.888    61.567   220.661    91.745   84.630     83.041   38.177  9.8416  25.490  9.7002  12.68686       13.81849 
1 1 1 -8  -44 2  o 18.395  7.5992  23.431     55.110   30.831     82.732   17.529     73.889   21.597  9.1416  19.922  8.5419  1.675497       12.51129 
1 1 1 -8  -44 3  o 59.303  5.2359  452.435    74.567   468.978    111.466  439.035    100.320  58.194  8.1149  56.819  7.4567  1.375381       11.02059 
1 1 1 -8  -44 4  o 17.279  7.0938  19.813     47.642   36.224     71.513   6.7171     63.884   21.162  8.6899  18.227  7.8797  2.935785       11.73045 
1 1 1 -8  -44 5  o 25.068  7.8965  85.672     53.620   101.187    82.671   74.406     70.448   27.336  9.8060  24.406  9.0080  2.930222       13.31546 
1 1 1 -8  -44 6  o 23.974  7.7511  76.752     51.407   20.054     81.517   114.189    66.239   21.098  9.0070  28.536  8.7422  -7.438042      12.55198 
1 1 1 -8  -44 7  o 42.995  6.4530  243.629    65.243   328.546    106.928  193.265    82.348   48.050  9.5081  36.764  9.2416  11.28605       13.25940 
1 1 1 -8  -44 8  o 49.644  5.4988  316.363    65.124   357.267    100.543  286.799    85.478   51.057  8.4085  45.919  7.9603  5.137829       11.57882 
1 1 1 -8  -44 9  o 45.881  6.0221  273.026    65.423   205.448    107.259  313.063    82.558   37.208  11.065  48.527  7.2325  -11.31825      13.21932 
1 1 1 -8  -44 10 o 59.525  4.9172  447.527    70.384   433.694    101.487  460.347    97.696   57.151  7.4996  59.267  6.9241  -2.116833      10.20723 
1 1 1 -8  -44 11 o 62.838  4.8250  497.167    73.006   533.711    108.091  466.514    98.998   63.815  7.1012  59.707  6.9642  4.107693       9.946249 
1 1 1 -8  -44 12 o 47.420  5.5185  287.310    62.309   290.990    90.117   283.938    86.246   46.331  8.3221  45.912  8.0346  0.4189148      11.56773 
1 1 1 -8  -44 13 f 31.142  7.2070  130.116    53.380   141.316    77.876   120.190    73.313   31.871  9.4168  29.635  9.2169  2.236334       13.17678 
1 1 1 -8  -44 14 o 36.542  6.7799  176.076    57.901   165.426    83.541   185.920    80.323   34.347  9.6337  36.592  9.0879  -2.245415      13.24373 
1 1 1 -8  -44 15 f 48.382  5.4693  297.913    63.079   239.844    89.248   355.879    89.168   41.704  9.0774  52.072  7.2543  -10.36800      11.61997 
1 1 1 -8  -44 16 o 53.352  5.1935  359.791    66.380   335.640    94.294   383.518    93.463   50.176  8.0148  54.085  7.3091  -3.909527      10.84713 
1 1 1 -8  -44 17 o 70.200  4.7095  616.447    79.755   696.060    112.196  535.122    113.395  73.745  6.3316  63.959  7.4462  9.785347       9.774181 
1 1 1 -8  -44 18 o 36.161  6.5116  170.979    55.031   142.516    78.405   198.618    77.260   32.150  9.4344  38.182  8.5518  -6.032009      12.73347 
1 1 1 -8  -44 19 o 38.633  8.7620  204.003    80.245   204.003    80.245   0.0000     0.0000   38.633  8.7620  ?       ?       0.000000       8.761994 
1 1 1 -8  -44 20 o 37.794  9.0566  196.472    81.966   196.472    81.966   0.0000     0.0000   37.794  9.0566  ?       ?       0.000000       9.056639 
1 1 1 -8  -44 21 o 29.391  11.456  95.790     117.792  46.936     161.118  151.883    172.644  29.280  12.586  34.978  13.798  -5.697706      18.67590 
1 1 1 -8  -44 22 o 29.603  7.9991  118.054    58.819   106.318    151.652  120.132    63.814   31.714  12.790  29.804  8.4411  1.910494       15.32462 
1 1 1 -8  -44 23 o 16.655  6.5710  21.888     39.157   70.061     68.239   -1.7607    47.812   24.478  8.8915  15.736  6.8100  8.741885       11.19977 
1 1 1 -8  -44 24 o 48.260  4.7851  292.532    55.294   323.920    88.589   272.500    70.773   49.605  7.6025  45.896  6.5401  3.709068       10.02857 
1 1 1 -8  -44 25 o 56.387  4.4656  396.775    60.599   467.703    96.144   350.026    78.055   60.263  6.6880  52.229  6.2853  8.033569       9.177974 
1 1 1 -8  -44 26 o 43.972  5.2829  245.104    55.237   126.521    78.899   359.102    77.358   30.562  9.5708  52.979  6.1311  -22.41764      11.36623 
1 1 1 -8  -44 27 o 61.427  6.1722  481.667    90.749   576.309    173.685  446.127    106.433  63.560  11.693  58.303  7.7128  5.256737       14.00749 
1 1 1 -8  -44 28 o 38.325  7.4303  194.707    66.601   164.553    156.464  201.379    73.601   35.297  13.343  38.715  8.0955  -3.417377      15.60693 
1 1 1 -8  -44 29 o 18.616  7.2092  31.286     46.420   -179.2076  136.790  58.681     49.348   19.589  9.4678  22.025  7.6025  -2.435942      12.14240 
1 1 1 -8  -44 30 o 34.444  8.5108  161.442    70.717   0.0000     0.0000   161.442    70.717   ?       ?       34.444  8.5108  0.000000       8.510786 
1 1 1 -8  -44 31 o 21.740  8.2473  48.506     59.909   0.0000     0.0000   48.506     59.909   ?       ?       21.740  8.2473  0.000000       8.247274 
1 1 1 -8  -44 32 o 19.876  7.5187  39.771     49.703   16.641     128.531  43.838     53.896   25.635  11.129  20.715  7.8311  4.919542       13.60846 
1 1 1 -8  -44 33 o 46.494  4.4502  270.562    49.591   307.582    71.596   236.423    68.754   48.948  6.1649  42.528  6.8992  6.419727       9.252306 
1 1 1 -8  -44 34 o 36.809  5.5835  173.772    48.303   174.708    70.304   172.935    66.478   35.908  8.2433  35.869  7.8557  0.3875732E-01  11.38701 
1 1 1 -8  -44 35 o 56.827  4.4428  403.230    60.772   423.579    87.322   384.116    84.631   57.416  6.3756  54.579  6.5197  2.837273       9.118895 
1 1 1 -8  -44 36 o 48.112  4.8353  291.378    55.683   180.566    80.785   391.676    76.858   36.114  9.1949  55.441  5.7992  -19.32673      10.87094 
1 1 1 -8  -44 37 o 51.392  4.6306  331.288    57.123   324.696    81.470   337.662    80.115   49.903  6.9141  51.044  6.6247  -1.141724      9.575580 
1 1 1 -8  -44 38 o 15.738  6.4126  14.617     38.568   71.909     54.183   -44.2237   54.910   23.802  7.9704  14.118  6.5757  9.683965       10.33282 
1 1 1 -8  -44 39 o 29.404  6.5881  114.622    45.839   92.595     67.407   133.570    62.520   26.609  8.8901  31.299  8.1515  -4.690828      12.06157 
1 1 1 -8  -44 40 o 45.639  5.2733  264.979    57.321   203.838    97.109   297.673    71.011   37.742  10.311  47.979  6.2479  -10.23753      12.05664 
1 1 1 -8  -44 41 o 54.313  4.9510  372.487    64.531   408.590    110.131  353.611    79.633   54.926  8.5410  52.226  6.4192  2.700485       10.68435 
1 1 1 -8  -44 42 o 50.607  5.2202  325.553    63.180   380.229    110.970  299.329    76.852   52.558  9.0269  47.752  6.8272  4.806099       11.31793 
1 1 1 -8  -44 43 o 38.276  5.8145  190.010    52.302   193.698    93.267   188.318    63.170   36.631  10.145  37.494  7.2053  -0.8634567     12.44372 
1 1 1 -8  -44 44 o 42.604  4.3642  228.710    44.478   305.412    78.873   192.943    53.859   48.050  6.9683  38.478  5.9616  9.572155       9.170490 
1 1 1 -8  -44 45 o 43.809  4.4051  242.148    46.191   178.529    83.678   270.030    55.396   35.251  9.5474  46.021  5.0435  -10.76975      10.79766 
1 1 1 -8  -44 46 o 12.178  5.2978  -2.7292    29.240   13.073     60.293   -7.5886    33.435   18.384  7.7940  12.576  5.5612  5.807500       9.574599 
1 1 1 -8  -44 47 o 25.480  6.0296  86.733     36.698   70.364     69.935   92.953     43.109   24.068  8.9568  26.189  6.7435  -2.121035      11.21158 
1 1 1 -8  -44 48 o 15.130  5.9885  18.577     32.620   93.006     65.548   -5.9233    37.608   26.102  8.7665  13.474  5.9310  12.62726       10.58436 
1 1 1 -8  -44 49 o 49.562  4.2413  310.067    50.514   307.185    91.732   311.321    60.517   46.875  8.3725  49.224  5.1428  -2.349094      9.825861 
1 1 1 -8  -44 50 o 17.927  7.0285  30.349     44.538   77.666     90.229   15.106     51.211   25.483  9.9999  17.270  7.2446  8.213013       12.34840 
1 1 1 -8  -44 51 o 19.127  7.1987  40.769     45.425   40.681     89.962   40.799     52.627   22.808  9.5865  19.762  7.6697  3.045193       12.27705 
1 1 1 -8  -44 52 o 31.337  6.7065  134.375    49.453   76.730     98.080   154.025    57.265   25.598  10.299  33.291  7.2910  -7.693262      12.61875 
1 1 1 -8  -44 53 o 27.482  7.1758  105.445    48.368   125.537    98.405   99.045     55.539   29.164  10.665  26.441  7.9851  2.723196       13.32272 
1 1 1 -8  -44 54 o 24.481  8.5764  81.821     62.912   139.261    129.189  63.965     72.030   30.462  11.962  23.169  8.9782  7.293077       14.95638 
1 1 1 -8  -44 55 o 44.507  8.1016  280.178    84.269   318.747    153.525  263.547    100.813  42.165  13.370  41.495  10.107  0.6698532      16.76018 
1 1 1 -8  -44 56 o 48.308  5.2974  303.449    61.076   397.590    119.088  269.850    71.145   51.549  9.8807  44.604  6.7878  6.944874       11.98763 
1 1 1 -8  -44 57 o 50.755  5.1724  333.490    62.809   415.902    122.405  304.036    73.176   52.744  9.9289  47.599  6.5063  5.144939       11.87072 
1 1 1 -8  -44 58 o 67.057  4.6179  573.128    74.678   570.895    143.280  573.960    87.503   62.061  9.8435  66.467  5.4744  -4.406506      11.26336 
1 1 1 -8  -44 59 o 31.950  9.5892  154.194    80.279   184.268    191.945  147.818    88.380   33.410  14.021  31.084  10.170  2.326361       17.32116 
1 1 1 -8  -44 60 f 25.551  9.1709  90.917     72.319   58.929     191.375  96.246     78.111   28.412  12.875  26.181  9.5124  2.231812       16.00769 
1 1 1 -8  -44 61 o 18.620  8.0578  12.161     66.936   -39.4502   190.064  19.468     71.518   25.237  11.906  19.566  8.3970  5.670879       14.56893 
1 1 1 -8  -44 62 o 12.071  5.9722  -128.1524  64.802   68.588     183.077  -156.3321  69.288   27.798  12.595  11.951  5.9567  15.84641       13.93231 
1 1 1 -8  -43 1  o 25.241  7.9526  87.413     54.383   -3.5867    77.275   176.711    76.548   19.113  8.4530  35.000  8.9719  -15.88704      12.32671 
1 1 1 -8  -43 2  o 62.652  4.9637  499.627    74.841   452.204    107.700  543.911    104.075  57.588  7.9170  64.122  6.7927  -6.533310      10.43165 
1 1 1 -8  -43 3  o 13.409  6.1605  -27.5656   45.827   -52.7887   65.079   -2.7557    64.544   15.093  7.0719  17.779  7.7991  -2.685370      10.52793 
1 1 1 -8  -43 4  o 36.782  6.8712  181.025    59.069   293.640    90.281   96.734     78.106   46.172  8.3666  27.016  9.5483  19.15591       12.69528 
1 1 1 -8  -43 5  o 25.588  7.8819  88.272     53.760   115.721    82.848   68.307     70.656   29.025  9.8551  24.101  8.9962  4.924770       13.34373 
1 1 1 -8  -43 6  o 26.886  7.6367  98.010     52.153   113.993    82.016   87.159     67.576   28.941  9.8056  25.868  8.8984  3.073135       13.24125 
1 1 1 -8  -43 7  o 27.868  7.5195  105.128    52.022   72.914     77.125   132.020    70.467   25.044  9.3890  30.847  8.9133  -5.803520      12.94604 
1 1 1 -8  -43 8  o 58.985  4.9070  438.346    69.592   364.133    103.206  500.226    94.241   51.858  8.4963  62.303  6.3215  -10.44506      10.59004 
1 1 1 -8  -43 9  o 34.327  6.7256  155.684    54.016   182.536    82.914   135.885    71.197   36.133  9.3761  31.390  8.9249  4.742676       12.94474 
1 1 1 -8  -43 10 o 26.422  7.5475  93.285     50.794   68.694     75.020   114.103    69.023   24.692  9.2594  29.019  8.9296  -4.327173      12.86371 
1 1 1 -8  -43 11 o 44.633  5.6991  254.703    60.312   266.607    86.931   243.656    83.746   44.463  8.3646  42.430  8.4316  2.033756       11.87684 
1 1 1 -8  -43 12 o 100.052 4.3474  1241.57    105.541  1353.30    152.779  1139.58    145.969  103.195 6.1291  94.471  6.4058  8.723312       8.865664 
1 1 1 -8  -43 13 o 50.696  5.1673  324.394    62.673   312.371    90.477   335.486    86.899   48.499  7.9650  50.640  7.2817  -2.140141      10.79186 
1 1 1 -8  -43 14 o 49.987  5.2831  315.837    63.107   315.017    89.628   316.643    88.871   48.804  7.8338  48.980  7.7346  -0.1762886     11.00875 
1 1 1 -8  -43 15 o 33.341  6.9723  146.800    54.592   118.016    76.726   176.314    77.692   29.685  9.4560  35.890  8.9517  -6.204868      13.02108 
1 1 1 -8  -43 16 o 51.914  5.1884  339.655    64.479   312.301    91.437   366.712    90.941   48.528  8.0474  53.063  7.2531  -4.535137      10.83363 
1 1 1 -8  -43 17 o 47.196  5.3579  281.865    60.270   246.677    85.434   316.726    85.036   42.816  8.5232  49.230  7.3434  -6.413757      11.25038 
1 1 1 -8  -43 18 f 41.429  8.5182  231.137    82.768   231.137    82.768   0.0000     0.0000   41.429  8.5182  ?       ?       0.000000       8.518174 
1 1 1 -8  -43 19 o 59.298  7.0702  454.544    99.721   454.544    99.721   0.0000     0.0000   59.298  7.0702  ?       ?       0.000000       7.070242 
1 1 1 -8  -43 20 o 19.740  7.2988  41.160     46.291   24.817     61.905   61.888     69.719   19.869  8.1133  23.884  8.9322  -4.015369      12.06691 
1 1 1 -8  -43 21 o 64.366  4.4526  515.380    69.113   522.588    102.326  509.334    93.721   63.839  6.7062  63.270  6.1839  0.5696754      9.122158 
1 1 1 -8  -43 22 o 53.250  4.4261  353.316    56.670   272.310    89.905   406.717    72.997   45.094  8.5292  56.825  5.3574  -11.73067      10.07223 
1 1 1 -8  -43 23 o 58.883  4.3907  431.293    62.281   456.172    96.856   413.754    81.324   59.563  6.8249  57.079  5.9597  2.483906       9.060746 
1 1 1 -8  -43 24 o 42.568  4.9730  228.262    50.396   251.274    81.453   213.989    64.148   43.521  8.0085  40.584  6.7514  2.936665       10.47461 
1 1 1 -8  -43 25 o 37.298  5.3238  176.868    46.814   121.598    78.484   207.393    58.326   30.185  9.5583  40.149  6.1859  -9.963564      11.38531 
1 1 1 -8  -43 26 o 25.135  6.5705  82.955     40.521   59.098     70.570   94.691     49.494   23.717  8.9622  26.757  7.3827  -3.039892      11.61140 
1 1 1 -8  -43 27 o 53.414  4.5775  356.033    58.753   446.161    93.374   296.961    75.594   58.995  6.6383  47.990  6.6724  11.00483       9.412101 
1 1 1 -8  -43 28 o 62.360  4.3403  483.160    65.264   492.748    101.164  476.325    85.417   61.924  6.8474  61.353  5.8069  0.5716438      8.978167 
1 1 1 -8  -43 29 o 51.162  7.6000  342.427    91.480   0.0000     0.0000   342.427    91.480   ?       ?       51.162  7.6000  0.000000       7.600029 
1 1 1 -8  -43 30 o 62.950  7.2562  512.577    108.804  0.0000     0.0000   512.577    108.804  ?       ?       62.950  7.2562  0.000000       7.256246 
1 1 1 -8  -43 31 o 31.488  8.0780  133.176    62.020   189.397    145.962  120.790    68.512   36.954  13.054  29.980  8.8253  6.974173       15.75702 
1 1 1 -8  -43 32 o 54.865  5.9113  382.468    77.452   368.685    131.108  389.856    95.992   51.290  10.873  54.712  7.4224  -3.422352      13.16448 
1 1 1 -8  -43 33 o 41.913  6.7070  227.972    65.908   66.062     109.200  320.750    82.663   27.088  10.878  49.712  7.0506  -22.62378      12.96350 
1 1 1 -8  -43 34 f 40.159  6.6525  209.503    62.553   156.148    106.972  237.229    77.112   33.779  11.196  42.312  7.7982  -8.533348      13.64406 
1 1 1 -8  -43 35 o 46.931  4.4859  275.323    50.461   312.948    73.609   241.965    69.309   49.404  6.2827  43.130  6.8521  6.273914       9.296426 
1 1 1 -8  -43 36 o 33.085  6.0896  142.020    47.084   107.207    68.646   172.950    64.704   28.418  8.9319  36.031  7.6380  -7.613270      11.75235 
1 1 1 -8  -43 37 o 54.224  4.5080  367.075    58.774   424.886    85.410   315.074    81.003   57.674  6.2006  49.245  6.9741  8.428864       9.331991 
1 1 1 -8  -43 38 o 42.877  5.1461  232.651    52.469   150.979    74.715   312.117    73.700   33.197  9.0343  49.283  6.3079  -16.08615      11.01856 
1 1 1 -8  -43 39 o 93.469  3.6932  1076.55    83.759   1141.47    132.338  1033.16    108.185  95.043  5.7658  90.901  4.9233  4.142052       7.581801 
1 1 1 -8  -43 40 o 49.489  3.9728  304.482    47.304   338.306    81.552   287.331    58.070   51.087  6.7438  47.696  5.0967  3.391758       8.453129 
1 1 1 -8  -43 41 o 23.929  6.6077  75.472     39.629   73.613     75.738   76.173     46.503   25.215  9.3334  24.109  7.3124  1.106049       11.85685 
1 1 1 -8  -43 42 o 40.757  5.6697  213.082    54.551   250.477    98.581   196.578    65.492   42.264  9.8031  38.472  7.2825  3.792011       12.21213 
1 1 1 -8  -43 43 o 58.942  4.9733  437.730    70.462   538.230    119.697  384.436    87.165   63.709  7.9137  54.370  6.7526  9.338490       10.40313 
1 1 1 -8  -43 44 o 24.568  6.9573  80.288     43.355   101.602    81.063   71.748     51.310   27.885  9.7372  23.596  7.7507  4.289614       12.44534 
1 1 1 -8  -43 45 f 23.730  6.1123  74.544     35.409   59.220     66.488   80.611     41.835   23.085  8.7049  24.585  6.7892  -1.500229      11.03941 
1 1 1 -8  -43 46 o 19.428  6.2977  47.693     33.919   106.492    68.975   28.939     38.954   27.939  8.9727  17.326  6.6317  10.61231       11.15744 
1 1 1 -8  -43 47 o 35.041  5.1321  157.842    42.341   108.922    76.331   179.585    50.888   28.226  9.4602  37.131  5.8413  -8.905018      11.11825 
1 1 1 -8  -43 48 o 14.969  5.9224  17.774     31.892   -65.2196   64.940   44.152     36.611   14.545  6.8908  19.025  6.5494  -4.479857      9.506673 
1 1 1 -8  -43 49 o 57.507  4.0940  414.493    56.753   353.655    99.556   443.781    69.076   50.606  8.4025  59.135  4.8571  -8.528645      9.705297 
1 1 1 -8  -43 50 o 11.148  5.0431  -13.6851   29.225   -97.3128   64.794   7.6737     32.745   13.235  6.4255  13.902  5.8096  -0.6671181     8.662412 
1 1 1 -8  -43 51 o 52.065  4.7823  345.310    59.740   428.940    110.386  310.670    71.043   55.499  8.4651  48.617  6.1607  6.882679       10.46954 
1 1 1 -8  -43 52 o 15.196  6.3958  9.0162     40.130   25.040     88.272   4.8418     45.054   21.803  9.3420  15.564  6.6716  6.238901       11.47968 
1 1 1 -8  -43 53 o 38.703  6.0181  198.458    54.679   214.290    104.860  192.545    64.082   37.028  10.923  37.389  7.3256  -0.3610535     13.15238 
1 1 1 -8  -43 54 o 37.283  7.8809  195.346    69.063   268.942    111.115  149.017    88.161   41.492  10.897  31.427  10.149  10.06477       14.89137 
1 1 1 -8  -43 55 o 49.690  7.3226  337.592    85.640   282.149    157.769  360.753    101.971  39.762  13.599  50.321  8.6642  -10.55816      16.12479 
1 1 1 -8  -43 56 o 57.064  6.9449  439.252    94.177   575.016    170.392  379.536    113.007  59.788  12.160  50.883  9.5026  8.905521       15.43222 
1 1 1 -8  -43 57 o 34.039  6.8088  158.268    54.271   239.708    108.721  131.241    62.632   38.962  11.012  30.236  8.2895  8.725439       13.78320 
1 1 1 -8  -43 58 o 45.757  5.6079  273.618    60.958   308.452    124.246  262.574    69.956   43.944  11.514  44.134  6.7470  -0.1897430     13.34512 
1 1 1 -8  -43 59 o 31.539  7.2502  138.158    54.323   -56.2434   114.826  194.213    61.660   20.277  9.4658  37.696  6.9989  -17.41910      11.77225 
1 1 1 -8  -43 60 o 26.668  9.2093  100.555    72.416   195.085    176.119  81.322     79.442   34.136  13.778  25.088  9.5019  9.048008       16.73649 
1 1 1 -8  -43 61 o 30.606  9.4679  140.391    77.478   234.006    203.267  124.479    83.805   35.619  14.641  28.934  9.9115  6.685188       17.68049 
1 1 1 -8  -43 62 o 14.851  6.9576  -46.0620   62.973   -109.5848  179.563  -37.1537   67.243   23.057  11.070  15.848  7.3455  7.209312       13.28511 
1 1 1 -8  -42 1  o 70.335  4.6451  623.273    78.828   665.797    111.697  581.077    111.264  71.461  6.5133  66.363  7.0162  5.097740       9.573416 
1 1 1 -8  -42 2  o 61.679  5.0079  481.852    74.300   489.421    107.569  474.946    102.749  60.664  7.4654  59.922  7.2117  0.7416191      10.37980 
1 1 1 -8  -42 3  o 28.907  7.8971  114.218    56.961   68.763     83.109   154.485    78.222   25.012  9.6575  33.094  9.3359  -8.082298      13.43226 
1 1 1 -8  -42 4  o 79.388  4.5789  788.910    87.829   787.337    131.211  790.188    118.221  77.719  7.0341  78.417  6.2656  -0.6978149     9.419950 
1 1 1 -8  -42 5  o 78.833  4.4841  775.992    85.419   724.132    127.408  818.334    115.125  74.557  7.1297  80.103  5.9660  -5.545860      9.296511 
1 1 1 -8  -42 6  o 31.556  7.2680  133.313    54.502   110.247    87.878   147.731    69.479   29.038  10.138  32.808  8.6169  -3.770540      13.30547 
1 1 1 -8  -42 7  o 94.514  4.3799  1108.68    100.443  1224.79    149.600  1013.37    135.535  97.977  6.3266  89.099  6.3101  8.877815       8.935458 
1 1 1 -8  -42 8  o 43.433  5.7831  241.356    59.431   191.551    90.146   279.645    79.040   37.025  9.8588  46.146  7.3021  -9.120850      12.26857 
1 1 1 -8  -42 9  f 58.266  4.8429  425.408    67.847   369.130    100.798  472.027    91.741   52.753  8.1364  60.744  6.3168  -7.990349      10.30062 
1 1 1 -8  -42 10 o 56.347  4.7641  397.367    64.525   344.222    96.399   440.507    86.851   50.992  8.0591  58.754  6.1851  -7.762192      10.15893 
1 1 1 -8  -42 11 o 55.335  4.9278  383.908    65.470   470.592    94.303   303.254    90.965   60.616  6.5140  47.798  8.1346  12.81761       10.42132 
1 1 1 -8  -42 12 o 98.320  4.3018  1195.65    102.626  1279.83    148.970  1119.60    141.582  100.571 6.1340  93.972  6.2449  6.598137       8.753554 
1 1 1 -8  -42 13 o 100.025 4.3098  1237.19    104.598  1273.80    150.891  1203.33    145.126  100.297 6.2311  97.517  6.1651  2.779930       8.765596 
1 1 1 -8  -42 14 o 98.520  4.2951  1199.80    102.676  1082.15    147.251  1311.13    143.243  92.189  6.6271  102.062 5.8082  -9.872925      8.812128 
1 1 1 -8  -42 15 o 38.550  6.2277  191.491    56.267   133.150    80.078   248.384    79.077   31.422  9.6098  43.385  7.7985  -11.96281      12.37595 
1 1 1 -8  -42 16 o 27.079  7.5040  96.919     51.009   74.158     71.061   121.113    73.264   25.195  9.0854  30.107  9.1888  -4.911995      12.92206 
1 1 1 -8  -42 17 o 58.725  6.8630  442.771    95.946   442.771    95.946   0.0000     0.0000   58.725  6.8630  ?       ?       0.000000       6.862956 
1 1 1 -8  -42 18 o 104.878 6.0928  1386.66    154.380  1386.66    154.380  0.0000     0.0000   104.878 6.0928  ?       ?       0.000000       6.092812 
1 1 1 -8  -42 19 o 79.434  4.4366  782.244    85.169   756.601    119.198  808.990    121.737  77.224  6.4196  79.916  6.3298  -2.692108      9.015416 
1 1 1 -8  -42 20 o 67.805  4.1550  568.929    68.029   610.755    104.801  538.471    89.432   69.409  6.2912  65.399  5.6926  4.009705       8.484418 
1 1 1 -8  -42 21 o 68.339  4.1685  577.866    68.790   689.335    105.798  496.225    90.542   73.945  5.9469  62.633  6.0323  11.31149       8.470841 
1 1 1 -8  -42 22 o 94.464  4.0206  1098.93    92.156   1205.40    137.417  1011.90    124.235  97.994  5.8052  89.796  5.7318  8.197617       8.158084 
1 1 1 -8  -42 23 o 53.910  4.4893  361.506    58.190   390.791    91.305   341.476    75.512   55.147  6.9797  51.840  6.1214  3.307507       9.283738 
1 1 1 -8  -42 24 o 68.085  4.1711  573.458    68.576   629.530    105.543  532.490    90.214   70.537  6.2307  65.023  5.7781  5.513123       8.497587 
1 1 1 -8  -42 25 o 47.185  4.7334  278.258    53.462   346.816    86.979   236.629    67.777   51.865  7.0977  42.822  6.7463  9.043327       9.792351 
1 1 1 -8  -42 26 o 65.828  4.2607  536.619    67.690   652.598    103.904  451.102    89.221   71.930  6.0083  59.619  6.2611  12.31136       8.677612 
1 1 1 -8  -42 27 o 50.555  4.6714  318.830    56.654   343.503    89.808   302.521    73.016   51.481  7.4025  48.682  6.3313  2.799137       9.740772 
1 1 1 -8  -42 28 o 94.943  5.5018  1127.73    126.203  0.0000     0.0000   1127.73    126.203  ?       ?       94.943  5.5018  0.000000       5.501812 
1 1 1 -8  -42 29 o 65.913  5.5362  545.610    87.722   0.0000     0.0000   545.610    87.722   ?       ?       65.913  5.5362  0.000000       5.536229 
1 1 1 -8  -42 30 o 67.377  4.9521  566.256    80.392   677.497    179.659  538.405    89.894   70.371  10.872  65.391  5.7232  4.980072       12.28660 
1 1 1 -8  -42 31 o 72.946  5.4811  667.352    96.305   790.209    154.194  588.774    123.315  77.854  8.2900  67.446  7.6718  10.40852       11.29510 
1 1 1 -8  -42 32 o 90.457  5.5205  1025.13    120.588  1027.23    188.771  1023.69    156.736  88.357  8.9275  89.357  7.2926  -0.9994659     11.52743 
1 1 1 -8  -42 33 o 54.280  5.8068  372.856    75.291   406.596    123.765  353.033    94.864   54.864  9.6495  51.981  7.7588  2.882202       12.38186 
1 1 1 -8  -42 34 o 30.782  7.3536  125.531    54.172   24.760     93.917   175.775    66.316   23.304  9.7951  36.399  7.7466  -13.09404      12.48820 
1 1 1 -8  -42 35 o 43.190  6.3679  239.747    64.731   254.667    108.759  231.562    80.552   42.746  10.550  41.690  8.2551  1.056156       13.39591 
1 1 1 -8  -42 36 o 88.891  4.6968  982.344    100.944  826.016    185.705  1047.91    120.262  78.240  10.012  91.442  5.4449  -13.20216      11.39649 
1 1 1 -8  -42 37 o 88.373  3.9686  962.606    85.098   966.274    121.323  959.053    119.394  87.627  5.7378  87.337  5.6646  0.2897797      8.062901 
1 1 1 -8  -42 38 o 91.515  3.6727  1030.14    81.553   1008.49    128.745  1044.64    105.396  89.373  5.9712  91.619  4.7574  -2.246033      7.634698 
1 1 1 -8  -42 39 o 52.977  3.9098  347.712    49.902   429.685    83.285   301.799    62.330   58.161  5.9872  48.889  5.3413  9.272213       8.023468 
1 1 1 -8  -42 40 o 56.393  3.8539  393.659    52.417   467.579    87.344   352.051    65.529   60.660  6.0135  52.889  5.1725  7.771049       7.932049 
1 1 1 -8  -42 41 o 56.945  3.8545  401.531    52.945   535.435    89.064   328.351    65.842   65.066  5.6988  50.957  5.4078  14.10853       7.856225 
1 1 1 -8  -42 42 o 42.705  5.4851  232.051    55.523   255.563    96.699   220.487    67.816   43.065  9.5083  41.005  7.0715  2.060528       11.84967 
1 1 1 -8  -42 43 o 81.311  4.9146  827.334    96.505   890.757    157.356  789.097    122.180  82.401  7.9697  78.535  6.4693  3.866493       10.26491 
1 1 1 -8  -42 44 o 22.953  7.0263  68.450     42.799   -12.2782   85.515   95.429     49.436   20.041  8.8764  26.739  7.3786  -6.698076      11.54269 
1 1 1 -8  -42 45 o 78.383  5.0610  772.267    95.742   720.226    156.678  803.280    120.951  73.008  9.0376  79.171  6.3496  -6.162712      11.04517 
1 1 1 -8  -42 46 o 70.305  3.8454  613.076    65.350   669.453    109.512  581.899    81.439   72.175  6.3170  67.992  4.9708  4.182808       8.038241 
1 1 1 -8  -42 47 o 13.036  5.5577  1.7875     30.961   -60.8280   62.579   22.082     35.626   14.472  6.8286  16.104  6.2937  -1.631643      9.286563 
1 1 1 -8  -42 48 o 49.962  4.2142  312.698    50.610   283.319    92.730   325.162    60.400   45.299  8.7534  50.646  4.9794  -5.346783      10.07054 
1 1 1 -8  -42 49 o 62.249  4.0174  483.574    60.355   445.574    104.779  502.443    73.835   57.688  7.6761  63.054  4.8636  -5.365749      9.087217 
1 1 1 -8  -42 50 o 17.327  6.3618  32.812     35.068   -55.0056   69.479   62.831     40.622   15.641  7.3216  21.888  6.8695  -6.247082      10.03971 
1 1 1 -8  -42 51 o 42.026  4.7612  224.957    47.694   210.250    91.188   230.495    55.958   37.948  9.8259  42.172  5.6076  -4.223740      11.31347 
1 1 1 -8  -42 52 o 20.664  7.2174  53.011     44.539   24.273     91.561   61.918     50.976   22.203  9.5140  22.112  7.7215  0.9112167E-01  12.25313 
1 1 1 -8  -42 53 o 10.177  4.9518  -64.1912   39.038   -93.4101   86.003   -56.6087   43.811   16.140  7.7253  11.427  5.4813  4.712339       9.472356 
1 1 1 -8  -42 54 o 32.532  6.5885  143.077    50.224   186.089    103.395  129.794    57.458   34.714  10.969  30.434  7.7577  4.280289       13.43469 
1 1 1 -8  -42 55 o 31.590  8.7186  144.060    69.014   200.831    136.734  124.654    79.945   35.100  12.609  29.283  9.6774  5.816278       15.89460 
1 1 1 -8  -42 56 o 33.201  9.0000  160.786    74.321   96.140     140.423  185.941    87.595   28.742  12.023  35.202  9.8615  -6.459831      15.54970 
1 1 1 -8  -42 57 o 17.514  7.5856  5.1921     59.422   -33.6386   123.007  17.012     67.866   21.884  10.069  19.314  8.2312  2.570465       13.00513 
1 1 1 -8  -42 58 o 13.669  6.1582  -15.2436   43.054   -23.2021   101.332  -13.4904   47.561   20.457  9.3080  14.536  6.5168  5.920957       11.36257 
1 1 1 -8  -42 59 o 31.976  7.0111  140.236    52.898   213.308    111.199  118.863    60.139   36.764  11.338  28.949  8.1927  7.814898       13.98796 
1 1 1 -8  -42 60 o 29.245  7.5329  119.546    53.780   174.884    118.777  105.276    60.317   33.362  11.776  27.285  8.3395  6.076626       14.43026 
1 1 1 -8  -42 61 f 54.948  7.4213  412.354    96.414   347.330    220.071  427.799    107.255  41.423  15.785  55.291  8.2469  -13.86757      17.80910 
1 1 1 -8  -42 62 o 19.454  8.2761  19.890     68.387   276.182    165.546  -32.8451   75.093   38.802  13.881  17.122  7.8737  21.67986       15.95844 
1 1 1 -8  -42 63 o 17.567  7.9435  -16.2459   72.408   -105.0363  184.109  0.0007     78.754   23.471  11.252  19.144  8.4967  4.326847       14.10012 
1 1 1 -8  -41 1  o 46.424  5.4339  275.220    60.051   297.172    84.526   252.849    85.331   47.183  7.6447  43.010  8.4780  4.172405       11.41567 
1 1 1 -8  -41 2  o 42.995  5.8600  237.883    59.542   233.416    85.661   242.058    82.820   41.197  8.8345  42.205  8.3829  -1.007858      12.17872 
1 1 1 -8  -41 3  o 50.842  5.3626  327.845    65.157   394.423    95.417   269.673    89.190   54.837  7.3566  44.604  8.5522  10.23277       11.28095 
1 1 1 -8  -41 4  o 18.047  7.2406  23.628     48.325   42.897     69.900   5.9876     66.882   22.124  8.7633  18.966  8.1292  3.158718       11.95319 
1 1 1 -8  -41 5  o 33.679  6.9114  149.612    54.586   214.301    81.098   96.030     73.808   39.733  8.6568  27.351  9.3019  12.38200       12.70688 
1 1 1 -8  -41 6  o 51.626  5.1330  335.574    63.446   283.763    94.880   377.482    85.331   45.833  8.8520  54.155  6.6325  -8.321976      11.06108 
1 1 1 -8  -41 7  o 52.075  5.0857  340.892    63.440   345.668    97.321   337.363    83.656   51.134  8.1150  51.062  6.9311  0.7188797E-01  10.67210 
1 1 1 -8  -41 8  o 31.459  6.8811  130.301    51.062   125.199    77.302   134.249    68.013   30.549  9.4583  31.538  8.6349  -0.9889183     12.80704 
1 1 1 -8  -41 9  o 32.646  6.6793  139.471    51.125   146.413    77.521   134.128    68.013   32.824  9.3060  31.549  8.6337  1.275286       12.69416 
1 1 1 -8  -41 10 o 42.692  5.3565  230.592    54.265   259.930    80.269   205.896    73.644   44.465  7.7199  39.366  7.9830  5.098698       11.10521 
1 1 1 -8  -41 11 o 85.561  4.3177  906.388    89.349   828.298    129.754  976.807    123.217  80.652  6.6908  88.133  5.7942  -7.480659      8.851004 
1 1 1 -8  -41 12 o 82.355  4.3260  839.716    86.143   872.869    123.683  808.483    120.048  83.117  6.1769  79.946  6.2380  3.170799       8.778749 
1 1 1 -8  -41 13 o 55.262  4.8917  381.550    64.914   272.383    92.262   488.566    91.349   45.163  8.7353  62.100  6.1430  -16.93692      10.67903 
1 1 1 -8  -41 14 o 36.094  6.4491  168.461    54.407   220.896    76.591   115.050    77.301   40.876  8.0088  29.637  9.4968  11.23848       12.42295 
1 1 1 -8  -41 15 o 100.406 4.7166  1247.61    114.908  1239.31    146.778  1260.74    184.685  99.235  6.1258  99.041  7.7469  0.1935120      9.876190 
1 1 1 -8  -41 16 o 27.444  9.1607  95.173     71.571   95.173     71.571   0.0000     0.0000   27.444  9.1607  ?       ?       0.000000       9.160660 
1 1 1 -8  -41 17 o 71.922  6.3787  654.238    110.160  654.238    110.160  0.0000     0.0000   71.922  6.3787  ?       ?       0.000000       6.378652 
1 1 1 -8  -41 18 o 82.058  4.3672  832.435    86.641   661.930    121.190  1010.69    123.915  72.067  7.0196  89.863  5.7127  -17.79623      9.050385 
1 1 1 -8  -41 19 o 27.681  6.1993  99.524     40.603   56.997     68.806   122.246    50.294   23.558  8.8611  30.562  6.9405  -7.003891      11.25562 
1 1 1 -8  -41 20 o 112.809 4.0848  1565.28    111.810  1667.04    164.413  1477.72    152.504  115.435 5.8896  108.715 5.8023  6.719879       8.267608 
1 1 1 -8  -41 21 o 84.043  3.9883  868.096    81.331   874.038    121.835  863.319    109.233  83.432  6.0597  83.188  5.4417  0.2440872      8.144427 
1 1 1 -8  -41 22 o 51.093  4.4470  324.098    54.581   327.098    85.910   322.068    70.679   50.421  7.2290  50.509  5.8770  -0.8804703E-01 9.316463 
1 1 1 -8  -41 23 o 54.225  4.3096  364.242    56.234   364.327    87.469   364.182    73.418   53.388  6.9146  53.807  5.7107  -0.4190636     8.967938 
1 1 1 -8  -41 24 o 85.193  3.9766  891.725    82.202   945.142    123.794  849.596    109.938  86.868  5.9083  82.506  5.5235  4.362488       8.088102 
1 1 1 -8  -41 25 o 85.533  3.9740  898.831    82.475   931.258    123.069  872.396    111.120  86.221  5.9185  83.617  5.5077  2.604004       8.084722 
1 1 1 -8  -41 26 o 49.905  4.5169  309.487    54.103   288.984    86.901   322.463    69.136   47.098  7.8828  50.593  5.7331  -3.494080      9.747126 
1 1 1 -8  -41 27 o 47.766  6.0955  289.255    69.036   0.0000     0.0000   289.255    69.036   ?       ?       47.766  6.0955  0.000000       6.095516 
1 1 1 -8  -41 28 o 78.502  5.4426  769.080    103.031  0.0000     0.0000   769.080    103.031  ?       ?       78.502  5.4426  0.000000       5.442647 
1 1 1 -8  -41 29 o 111.222 4.7570  1528.75    128.376  1559.44    248.647  1517.59    149.901  109.082 9.4888  110.286 5.6203  -1.203743      11.02842 
1 1 1 -8  -41 30 o 15.770  6.4636  12.241     39.473   130.218    78.134   -28.1871   45.739   31.337  9.4728  13.585  6.2092  17.75172       11.32638 
1 1 1 -8  -41 31 o 72.896  3.8675  654.580    68.162   607.227    97.721   699.448    95.123   69.526  5.8469  74.884  5.2687  -5.358635      7.870587 
1 1 1 -8  -41 32 o 67.320  3.9227  558.886    63.797   610.806    91.973   510.738    88.569   69.867  5.4689  63.733  5.7905  6.133789       7.964859 
1 1 1 -8  -41 33 o 17.934  7.0372  25.802     44.681   16.912     85.815   29.109     52.335   22.104  9.3306  19.232  7.5938  2.871677       12.03024 
1 1 1 -8  -41 34 o 83.396  5.4696  869.544    110.066  837.364    172.398  891.686    143.005  79.824  9.0615  83.611  7.1166  -3.787407      11.52198 
1 1 1 -8  -41 35 o 30.351  7.6262  121.997    56.093   120.683    93.685   122.731    70.034   30.682  10.480  30.366  8.9182  0.3159313      13.76069 
1 1 1 -8  -41 36 o 52.744  5.8711  352.019    73.863   313.809    120.944  374.748    93.279   47.621  10.725  53.847  7.3297  -6.226139      12.99027 
1 1 1 -8  -41 37 o 66.595  5.6323  557.521    90.156   522.411    146.856  578.757    114.212  62.167  10.081  67.179  7.1150  -5.011700      12.33886 
1 1 1 -8  -41 38 o 80.049  3.5884  786.885    69.699   771.228    110.104  797.354    90.036   78.281  5.8387  80.127  4.6510  -1.845718      7.464780 
1 1 1 -8  -41 39 o 39.645  4.4097  196.486    41.700   165.520    73.143   211.397    50.757   35.044  8.6534  40.903  5.2343  -5.858311      10.11334 
1 1 1 -8  -41 40 o 37.724  4.5193  178.437    40.543   157.610    70.126   188.893    49.689   34.220  8.4870  38.553  5.4648  -4.332394      10.09420 
1 1 1 -8  -41 41 o 18.674  6.2592  41.849     33.415   168.460    63.595   -6.4363    39.273   35.656  7.5840  13.941  6.1005  21.71407       9.733119 
1 1 1 -8  -41 42 o 47.548  4.0598  280.819    46.389   245.117    80.709   298.432    56.689   42.977  8.0351  48.790  4.8530  -5.813332      9.386930 
1 1 1 -8  -41 43 o 40.568  5.2288  208.464    50.271   262.177    76.660   167.938    66.588   44.762  7.3106  35.424  7.9430  9.337399       10.79525 
1 1 1 -8  -41 44 o 28.519  6.7351  107.395    45.862   110.545    84.718   106.089    54.546   29.183  9.9654  28.192  7.7388  0.9907475      12.61740 
1 1 1 -8  -41 45 o 17.994  6.7333  32.712     39.628   28.504     77.860   34.184     46.037   21.819  9.0246  18.890  7.2143  2.929884       11.55381 
1 1 1 -8  -41 46 o 44.517  5.6468  252.977    59.623   130.669    106.616  308.633    71.921   31.436  11.151  49.006  6.1863  -17.56980      12.75185 
1 1 1 -8  -41 47 o 45.431  4.3590  258.505    47.461   302.966    84.756   238.194    57.285   47.842  7.5517  43.156  5.6028  4.686157       9.403172 
1 1 1 -8  -41 48 o 29.323  5.6247  111.877    38.563   100.546    74.497   116.025    45.071   27.613  9.3454  29.607  6.4559  -1.994808      11.35849 
1 1 1 -8  -41 49 o 63.351  4.0204  499.687    61.479   408.310    107.616  543.958    74.906   54.990  8.3260  65.795  4.7235  -10.80537      9.572577 
1 1 1 -8  -41 50 o 30.707  5.6490  122.993    40.538   143.809    78.283   115.365    47.387   31.928  9.4436  29.332  6.7920  2.596495       11.63240 
1 1 1 -8  -41 51 o 49.514  4.4258  308.605    52.611   286.404    94.804   318.484    63.243   45.309  8.9408  49.922  5.3022  -4.612267      10.39476 
1 1 1 -8  -41 52 f 87.794  3.9639  958.986    84.442   987.848    142.688  943.430    104.755  86.799  6.8302  86.304  5.0242  0.4953384      8.479028 
1 1 1 -8  -41 53 o 21.654  7.3998  59.622     46.712   -41.2844   96.155   90.792     53.442   19.393  8.9149  25.769  7.8442  -6.376394      11.87462 
1 1 1 -8  -41 54 o 21.389  7.3952  57.862     46.703   -3.0919    94.526   77.546     53.717   20.948  9.3026  24.077  7.9316  -3.128338      12.22491 
1 1 1 -8  -41 55 o 15.117  6.4752  3.9938     42.384   -4.2760    97.556   5.9180     47.058   21.114  9.4089  15.982  6.8338  5.131525       11.62873 
1 1 1 -8  -41 56 o 49.766  7.5477  337.586    88.281   523.399    159.999  256.259    105.852  58.066  11.759  41.100  10.558  16.96635       15.80382 
1 1 1 -8  -41 57 o 19.371  8.0279  25.480     61.789   -3.6975    125.845  34.749     70.928   23.409  10.539  20.976  8.6385  2.432783       13.62679 
1 1 1 -8  -41 58 o 21.815  7.4924  61.303     47.900   -32.4084   132.142  75.479     51.395   22.771  10.462  23.694  7.7559  -0.9233284     13.02308 
1 1 1 -8  -41 59 o 25.636  7.6371  90.632     51.060   66.018     112.505  97.016     57.301   26.024  10.813  26.416  8.1374  -0.3915310     13.53274 
1 1 1 -8  -41 60 o 26.131  7.6077  94.458     51.162   111.586    113.800  90.119     57.277   28.958  11.267  25.581  8.1723  3.377090       13.91903 
1 1 1 -8  -41 61 o 53.974  7.5169  396.609    95.771   369.225    215.085  403.381    106.959  43.443  15.785  53.668  8.4967  -10.22452      17.92637 
1 1 1 -8  -41 62 o 33.326  9.4538  164.539    79.978   38.829     199.876  188.504    87.269   28.786  13.088  35.451  9.8120  -6.665003      16.35784 
1 1 1 -8  -41 63 o 30.167  9.6222  135.591    79.426   74.113     200.679  147.010    86.488   29.609  13.321  31.156  10.052  -1.547712      16.68816 
1 1 1 -8  -40 1  o 42.105  6.3252  229.328    62.623   211.397    82.506   253.697    96.183   39.313  8.8614  42.834  9.5029  -3.521587      12.99343 
1 1 1 -8  -40 2  o 15.996  6.6834  9.3209     43.327   66.623     56.537   -72.2202   67.443   23.418  8.1344  14.809  7.0179  8.608164       10.74333 
1 1 1 -8  -40 3  o 20.870  7.5531  48.674     49.177   57.423     69.765   40.034     69.330   23.471  8.9009  21.919  8.7131  1.552086       12.45568 
1 1 1 -8  -40 4  o 82.417  4.4630  843.247    88.918   955.292    130.587  746.392    121.412  86.818  6.2407  76.493  6.6063  10.32514       9.087910 
1 1 1 -8  -40 5  o 61.551  4.6663  472.093    69.173   542.482    103.618  415.507    92.905   65.158  6.6470  56.847  6.8752  8.311390       9.563051 
1 1 1 -8  -40 6  o 87.910  4.2764  954.211    91.218   959.564    135.041  949.719    123.706  86.991  6.4435  86.841  5.9060  0.1507645      8.740708 
1 1 1 -8  -40 7  o 34.309  6.5153  152.907    52.254   194.684    77.556   118.175    70.715   38.076  8.5979  29.816  9.0115  8.260450       12.45514 
1 1 1 -8  -40 8  f 41.167  5.8154  215.800    56.471   232.815    85.781   202.785    75.021   41.676  8.7609  39.051  8.1796  2.625523       11.98577 
1 1 1 -8  -40 9  o 84.023  4.2483  872.705    86.331   927.948    128.779  827.613    116.347  85.750  6.2320  81.096  5.9544  4.653435       8.619346 
1 1 1 -8  -40 10 o 101.988 4.1791  1281.56    103.417  1360.40    151.870  1213.40    141.218  104.055 6.0411  98.306  5.9483  5.748337       8.478091 
1 1 1 -8  -40 11 f 74.774  4.3562  691.735    78.694   686.538    113.012  696.628    109.644  73.684  6.3841  74.342  6.1331  -0.6578674     8.852807 
1 1 1 -8  -40 12 o 80.594  4.3196  802.662    84.163   798.273    119.838  806.933    118.228  79.585  6.2562  80.076  6.1315  -0.4914474     8.759875 
1 1 1 -8  -40 13 f 31.489  6.8426  129.385    50.787   133.936    71.015   124.620    72.661   31.711  8.8778  30.685  9.1033  1.025652       12.71558 
1 1 1 -8  -40 14 o 19.525  7.4086  36.122     48.351   57.710     62.636   4.2919     76.058   23.146  8.5017  20.238  8.6715  2.908749       12.14386 
1 1 1 -8  -40 15 o 117.659 6.1892  1734.27    176.074  1734.27    176.074  0.0000     0.0000   117.659 6.1892  ?       ?       0.000000       6.189210 
1 1 1 -8  -40 16 o 106.316 6.0490  1413.83    155.398  1413.83    155.398  0.0000     0.0000   106.316 6.0490  ?       ?       0.000000       6.048951 
1 1 1 -8  -40 17 o 38.507  6.0684  188.926    54.823   155.132    75.267   227.115    80.012   34.126  8.9714  41.590  8.2202  -7.464195      12.16785 
1 1 1 -8  -40 18 o 71.318  4.0312  626.324    69.473   647.202    106.182  610.697    91.865   71.808  6.1536  69.993  5.4522  1.815208       8.221520 
1 1 1 -8  -40 19 o 96.316  3.9914  1138.36    93.281   1248.39    138.883  1047.94    125.908  100.107 5.7417  91.716  5.6858  8.391228       8.080560 
1 1 1 -8  -40 20 o 18.534  6.6611  36.910     38.164   104.469    65.859   2.7544     46.828   28.452  8.7171  16.116  6.8520  12.33657       11.08776 
1 1 1 -8  -40 21 f 80.201  3.9612  788.918    77.086   813.417    116.197  769.661    103.019  80.675  5.9785  78.667  5.4304  2.008614       8.076608 
1 1 1 -8  -40 22 o 65.006  4.0937  520.591    64.240   565.141    99.674   488.938    84.017   67.104  6.1914  62.576  5.5923  4.527790       8.343124 
1 1 1 -8  -40 23 o 99.324  3.9716  1209.86    95.715   1263.11    140.601  1163.88    130.668  100.731 5.7767  96.760  5.5894  3.971176       8.038108 
1 1 1 -8  -40 24 o 26.629  6.3512  91.823     40.461   86.775     69.145   94.452     49.895   26.671  9.0035  26.963  7.4015  -0.2921181     11.65531 
1 1 1 -8  -40 25 o 102.690 3.9505  1293.08    98.432   1324.23    144.314  1265.97    134.602  103.142 5.7899  100.960 5.5155  2.182335       7.996451 
1 1 1 -8  -40 26 o 63.231  5.4939  498.637    83.452   0.0000     0.0000   498.637    83.452   ?       ?       63.231  5.4939  0.000000       5.493925 
1 1 1 -8  -40 27 o 75.834  5.3430  714.840    97.684   0.0000     0.0000   714.840    97.684   ?       ?       75.834  5.3430  0.000000       5.342986 
1 1 1 -8  -40 28 o 12.000  5.4421  -18.9381   34.277   34.248     64.333   -40.0231   40.506   21.193  8.4031  11.885  5.5719  9.308634       10.08254 
1 1 1 -8  -40 29 o 89.743  3.8286  987.315    83.369   964.076    119.583  1009.29    116.288  87.985  5.6309  90.148  5.3402  -2.162910      7.760478 
1 1 1 -8  -40 30 o 66.490  3.8639  543.930    62.069   526.049    88.256   561.429    87.310   64.868  5.6641  67.115  5.4073  -2.246986      7.830731 
1 1 1 -8  -40 31 o 34.960  5.1370  154.181    42.276   78.738     62.049   219.542    57.755   25.383  8.5293  41.632  5.8811  -16.24938      10.36032 
1 1 1 -8  -40 32 o 106.596 3.8967  1394.36    100.787  1404.08    143.956  1385.01    141.153  106.187 5.6071  105.497 5.5336  0.6898727      7.877795 
1 1 1 -8  -40 33 o 111.659 3.9838  1531.17    107.932  1574.95    153.903  1488.80    151.407  112.421 5.6602  109.259 5.7311  3.161697       8.055024 
1 1 1 -8  -40 34 o 15.887  6.0921  22.021     32.912   3.1624     49.205   37.290     44.275   16.493  7.0184  19.212  7.1311  -2.718250      10.00559 
1 1 1 -8  -40 35 o 22.028  7.5412  57.563     48.515   35.546     89.614   66.691     57.702   23.789  9.7433  23.726  8.2191  0.6296158E-01  12.74695 
1 1 1 -8  -40 36 o 67.470  5.5115  569.667    89.440   596.362    142.859  552.458    114.701  67.433  8.9524  65.683  7.3216  1.750633       11.56506 
1 1 1 -8  -40 37 o 70.457  5.4934  621.148    93.173   637.712    147.816  610.229    120.017  69.717  8.9443  69.056  7.2720  0.6616592      11.52752 
1 1 1 -8  -40 38 o 97.809  5.5170  1194.81    130.397  1290.06    201.352  1126.00    171.130  99.819  8.3913  93.759  7.5873  6.059692       11.31285 
1 1 1 -8  -40 39 f 78.696  3.5591  759.798    67.961   729.996    108.289  779.164    87.293   76.193  5.9035  79.289  4.5565  -3.095482      7.457392 
1 1 1 -8  -40 40 o 34.679  4.6782  151.298    38.360   134.858    68.216   158.900    46.390   31.743  8.6299  35.297  5.6039  -3.554123      10.28977 
1 1 1 -8  -40 41 o 40.269  4.4227  202.527    42.502   267.427    73.712   170.204    52.021   45.526  6.8882  36.393  6.1074  9.132637       9.205873 
1 1 1 -8  -40 42 o 81.576  3.6959  817.699    73.156   835.997    117.951  806.260    93.260   81.442  6.0113  80.524  4.7949  0.9189148      7.689363 
1 1 1 -8  -40 43 f 59.460  4.5653  439.931    65.363   463.971    94.726   418.081    90.307   60.285  6.5829  57.172  6.6331  3.112675       9.345197 
1 1 1 -8  -40 44 o 74.967  3.7437  691.310    68.098   705.799    111.657  682.729    85.930   74.623  6.2235  74.025  4.8102  0.5974731      7.865705 
1 1 1 -8  -40 45 o 33.398  6.4881  145.446    50.683   98.130     93.158   165.341    60.406   28.524  10.385  35.393  7.2770  -6.869713      12.68043 
1 1 1 -8  -40 46 o 9.8475  4.7213  -44.6806   32.418   -36.5987   69.702   -46.9113   36.619   16.827  7.6810  10.636  5.0773  6.191110       9.207406 
1 1 1 -8  -40 47 o 39.582  6.0093  201.664    55.901   266.700    103.347  174.766    66.463   43.784  9.9533  36.129  7.8094  7.655121       12.65129 
1 1 1 -8  -40 48 o 25.175  6.2229  83.451     37.796   96.510     72.369   78.553     44.320   27.279  9.2111  24.417  7.0728  2.862722       11.61326 
1 1 1 -8  -40 49 o 49.563  4.3627  307.333    51.932   261.356    92.018   328.821    62.907   43.619  8.9930  50.981  5.1563  -7.361923      10.36637 
1 1 1 -8  -40 50 o 27.611  5.9439  100.170    38.642   146.629    72.714   81.885     45.617   32.505  8.9402  24.809  7.1723  7.695900       11.46166 
1 1 1 -8  -40 51 o 18.320  6.4339  39.274     35.416   136.353    73.390   9.8044     40.435   31.268  9.1141  15.490  6.4630  15.77786       11.17307 
1 1 1 -8  -40 52 o 98.927  4.0069  1215.67    96.181   1190.21    159.560  1230.20    120.542  95.492  6.9337  98.728  5.0488  -3.235680      8.577084 
1 1 1 -8  -40 53 o 36.009  5.4750  167.852    46.329   2.2384     85.310   237.126    55.174   20.523  8.9855  42.942  5.4157  -22.41966      10.49138 
1 1 1 -8  -40 54 o 52.517  5.0081  351.206    63.044   459.712    122.152  311.809    73.605   57.349  9.0807  48.758  6.3741  8.591240       11.09453 
1 1 1 -8  -40 55 o 15.883  6.6747  10.052     43.598   6.9160     97.118   10.843     48.791   21.768  9.5574  16.691  7.0400  5.077118       11.87037 
1 1 1 -8  -40 56 o 26.041  7.5890  93.228     50.888   69.285     105.443  100.498    58.102   25.963  10.594  26.911  8.1762  -0.9480801     13.38202 
1 1 1 -8  -40 57 o 18.370  8.7910  -110.9347  111.234  -110.9347  111.234  0.0000     0.0000   18.370  8.7910  ?       ?       0.000000       8.791040 
1 1 1 -8  -40 58 o 30.685  9.0712  135.227    72.247   131.415    140.731  136.591    84.188   31.098  12.397  30.655  9.9200  0.4436951      15.87780 
1 1 1 -8  -40 59 o 15.154  6.4926  3.7904     42.629   -61.5657   94.756   20.375     47.733   18.345  8.5757  17.377  7.1134  0.9681187      11.14194 
1 1 1 -8  -40 60 f 41.991  6.0018  231.219    59.411   268.465    123.779  220.070    67.721   41.336  11.773  40.325  7.1847  1.011150       13.79226 
1 1 1 -8  -40 61 o 18.572  7.2790  32.532     47.761   -16.9524   104.428  45.621     53.707   21.184  9.5628  20.481  7.7993  0.7026119      12.33999 
1 1 1 -8  -40 62 o 32.229  9.9513  153.763    85.638   73.211     199.616  171.933    94.806   30.277  13.478  33.755  10.478  -3.477440      17.07208 
1 1 1 -8  -40 63 f 53.962  7.7505  400.241    98.567   596.732    229.730  355.908    109.122  55.515  16.109  49.500  9.4296  6.014427       18.66590 
1 1 1 -8  -40 64 o 56.707  7.8996  446.932    105.742  518.787    237.313  429.132    118.116  49.192  16.680  54.287  9.3016  -5.095325      19.09785 
1 1 1 -8  -39 1  o 45.753  7.8356  275.889    83.857   234.889    98.205   386.257    161.127  41.242  9.9322  51.308  12.943  -10.06660      16.31509 
1 1 1 -8  -39 2  o 86.412  6.1612  943.690    128.337  903.367    159.668  1017.29    215.714  83.420  7.9859  86.617  10.477  -3.197716      13.17340 
1 1 1 -8  -39 3  o 113.287 6.1493  1616.87    168.398  1607.34    215.790  1631.72    269.306  111.518 8.0286  110.368 10.171  1.149734       12.95767 
1 1 1 -8  -39 4  o 70.717  6.4261  634.264    109.062  590.660    135.708  713.788    183.268  67.145  8.5214  72.417  10.757  -5.271362      13.72310 
1 1 1 -8  -39 5  o 103.437 5.9012  1342.56    147.496  1434.91    194.284  1216.92    226.610  105.798 7.6193  95.648  9.9080  10.15036       12.49887 
1 1 1 -8  -39 6  o 33.173  8.6161  147.354    69.974   103.370    89.906   214.933    111.442  29.037  10.246  39.342  11.159  -10.30480      15.14961 
1 1 1 -8  -39 7  o 30.362  8.6023  122.409    66.264   160.853    83.302   56.167     109.347  34.504  9.5995  26.782  10.840  7.722240       14.47931 
1 1 1 -8  -39 8  o 67.049  6.1196  566.630    98.461   535.975    128.435  610.330    153.343  64.128  8.4607  67.867  9.5782  -3.739563      12.77993 
1 1 1 -8  -39 9  o 26.299  8.8202  85.741     66.353   120.463    85.901   34.379     104.477  30.556  10.028  25.087  10.421  5.468849       14.46278 
1 1 1 -8  -39 10 f 32.933  8.4489  144.036    67.846   62.213     84.034   297.230    114.985  25.311  9.7278  46.767  10.402  -21.45619      14.24168 
1 1 1 -8  -39 11 o 72.117  6.1196  653.102    106.074  632.000    132.305  691.073    177.476  70.152  7.9109  71.985  10.468  -1.833221      13.12073 
1 1 1 -8  -39 12 o 72.901  6.1246  666.717    107.332  601.059    133.906  784.708    179.507  68.287  8.2488  77.274  9.7935  -8.987373      12.80451 
1 1 1 -8  -39 13 o 124.845 5.5442  1932.10    167.947  1967.62    236.489  1895.97    238.552  124.433 7.8733  121.973 8.1065  2.459419       11.30065 
1 1 1 -8  -39 14 o 72.860  6.1752  665.201    108.144  665.201    108.144  0.0000     0.0000   72.860  6.1752  ?       ?       0.000000       6.175228 
1 1 1 -8  -39 15 o 87.394  6.0466  953.284    127.431  953.284    127.431  0.0000     0.0000   87.394  6.0466  ?       ?       0.000000       6.046563 
1 1 1 -8  -39 16 o 92.859  4.1970  1058.03    94.565   985.734    132.726  1132.57    134.767  88.844  6.1957  95.403  5.8500  -6.558838      8.521129 
1 1 1 -8  -39 17 o 14.615  5.9095  11.956     32.463   4.3776     61.023   14.948     38.339   18.406  7.8238  15.941  6.4303  2.464830       10.12724 
1 1 1 -8  -39 18 o 74.182  3.9852  676.029    71.469   709.042    108.017  650.325    95.316   75.412  5.9516  72.357  5.4694  3.054924       8.083006 
1 1 1 -8  -39 19 o 26.163  7.0108  88.452     45.407   98.813     67.976   80.104     61.018   27.996  8.8987  25.601  8.4543  2.394886       12.27441 
1 1 1 -8  -39 20 o 63.345  4.1125  493.691    62.867   531.366    96.584   465.995    82.812   65.173  6.1816  61.156  5.6444  4.017818       8.370864 
1 1 1 -8  -39 21 o 104.753 3.9653  1343.53    100.787  1464.15    148.592  1240.75    137.161  108.705 5.6530  100.038 5.6740  8.666740       8.009460 
1 1 1 -8  -39 22 o 48.750  4.4744  294.033    52.336   311.890    83.476   282.468    67.179   49.509  7.1565  47.414  5.9717  2.094681       9.320806 
1 1 1 -8  -39 23 o 27.036  6.2734  94.201     40.359   115.908    70.299   83.529     49.291   29.978  8.9680  25.566  7.4742  4.411936       11.67433 
1 1 1 -8  -39 24 o 15.929  6.2729  18.497     35.624   -3.4954    74.989   24.907     40.484   19.774  8.5429  17.394  6.7335  2.379747       10.87756 
1 1 1 -8  -39 25 o 50.594  5.6980  320.133    68.732   0.0000     0.0000   320.133    68.732   ?       ?       50.594  5.6980  0.000000       5.697992 
1 1 1 -8  -39 26 o 98.104  5.3995  1190.92    128.036  0.0000     0.0000   1190.92    128.036  ?       ?       98.104  5.3995  0.000000       5.399505 
1 1 1 -8  -39 27 o 60.940  4.1974  457.317    61.687   481.849    95.939   440.027    80.543   61.946  6.4787  59.412  5.6554  2.534050       8.599799 
1 1 1 -8  -39 28 o 21.385  6.1433  58.084     33.562   24.616     49.335   86.916     45.792   18.554  7.3581  25.953  7.0767  -7.398542      10.20891 
1 1 1 -8  -39 29 o 68.886  3.8421  582.641    63.963   574.627    92.349   590.031    88.676   67.941  5.6533  68.944  5.3426  -1.002655      7.778350 
1 1 1 -8  -39 30 o 16.794  6.0858  29.293     31.941   50.281     47.459   11.914     43.185   21.163  7.4468  16.401  6.7459  4.761215       10.04802 
1 1 1 -8  -39 31 o 88.430  3.8194  957.560    81.951   973.944    117.044  941.803    114.781  88.595  5.4715  87.120  5.4574  1.474312       7.727901 
1 1 1 -8  -39 32 f 76.958  3.8018  725.349    70.991   669.585    101.489  778.776    99.339   73.287  5.7535  79.259  5.1942  -5.972115      7.751250 
1 1 1 -8  -39 33 o 74.878  3.8731  688.889    70.127   750.830    101.368  632.033    97.118   77.726  5.4086  71.197  5.6688  6.529617       7.835045 
1 1 1 -8  -39 34 o 119.371 4.0185  1748.24    116.392  1731.73    165.588  1764.38    163.637  118.106 5.7782  119.271 5.6543  -1.165749      8.084494 
1 1 1 -8  -39 35 o 69.609  3.9302  596.222    66.110   604.861    95.373   588.232    91.722   69.583  5.6988  68.664  5.5529  0.9195862      7.956785 
1 1 1 -8  -39 36 o 64.214  5.5089  515.022    85.002   533.231    135.615  503.239    109.090  63.892  8.9970  62.804  7.2946  1.088017       11.58263 
1 1 1 -8  -39 37 o 20.270  7.3319  44.350     46.330   32.984     82.551   49.577     55.978   22.963  9.3720  21.760  8.0300  1.203337       12.34166 
1 1 1 -8  -39 38 o 16.648  6.8327  13.512     44.185   11.170     85.796   14.357     51.546   21.813  9.2745  17.799  7.3509  4.013422       11.83433 
1 1 1 -8  -39 39 o 65.552  5.5411  537.835    87.309   546.690    139.241  532.099    112.079  64.457  9.1607  64.491  7.2905  -0.3321838E-01 11.70764 
1 1 1 -8  -39 40 o 37.784  4.3024  178.033    38.741   216.818    66.601   158.197    47.628   40.957  6.9502  35.202  5.7765  5.754555       9.037383 
1 1 1 -8  -39 41 o 26.038  5.8410  87.810     35.994   95.921     66.753   84.484     42.740   27.378  8.8306  25.446  6.7946  1.932085       11.14206 
1 1 1 -8  -39 42 o 102.714 3.7977  1296.00    94.648   1156.46    148.789  1390.84    122.667  95.728  6.4432  106.029 4.7680  -10.30046      8.015541 
1 1 1 -8  -39 43 o 59.679  3.8819  439.647    55.906   492.268    94.759   411.551    69.241   62.303  6.3574  57.399  5.0221  4.903469       8.101680 
1 1 1 -8  -39 44 o 109.434 3.8705  1472.76    102.775  1450.67    161.503  1487.80    133.233  107.304 6.2298  109.491 5.0150  -2.186852      7.997541 
1 1 1 -8  -39 45 o 83.293  3.7560  852.884    75.909   926.090    123.814  808.795    96.086   85.744  5.9888  80.587  4.9378  5.156479       7.761889 
1 1 1 -8  -39 46 o 34.374  6.4518  153.479    51.834   164.474    96.027   148.958    61.576   34.616  10.510  33.459  7.7386  1.157158       13.05158 
1 1 1 -8  -39 47 o 48.334  5.5501  295.793    63.911   245.758    114.771  318.282    76.945   41.671  11.137  49.778  6.5279  -8.107189      12.90959 
1 1 1 -8  -39 48 o 57.057  5.3850  410.545    73.670   405.073    134.624  412.884    88.019   53.890  10.673  56.735  6.5118  -2.845146      12.50268 
1 1 1 -8  -39 49 o 13.826  5.7290  7.7397     31.459   -20.2163   61.612   17.598     36.588   16.560  7.4211  15.796  6.3133  0.7636042      9.743289 
1 1 1 -8  -39 50 o 45.805  4.4848  263.043    49.205   305.024    90.304   245.316    58.681   47.778  8.0776  43.807  5.6525  3.970448       9.858915 
1 1 1 -8  -39 51 o 23.561  6.4944  73.285     38.321   133.060    76.946   53.569     44.192   31.036  9.4046  20.964  7.1968  10.07282       11.84229 
1 1 1 -8  -39 52 o 107.303 4.0486  1428.16    105.409  1430.78    172.438  1426.59    133.192  105.154 6.7947  106.524 5.1531  -1.369530      8.527732 
1 1 1 -8  -39 53 o 63.502  4.2680  504.172    65.380   547.296    113.271  482.627    80.063   64.355  7.3879  61.574  5.4139  2.780437       9.159178 
1 1 1 -8  -39 54 o 17.522  6.9958  24.334     44.875   -163.4196  97.771   74.443     50.510   15.625  7.6527  23.784  7.6825  -8.158249      10.84363 
1 1 1 -8  -39 55 o 18.934  7.1311  37.958     44.591   18.501     94.642   43.510     50.553   22.307  9.6174  20.104  7.5882  2.202658       12.25049 
1 1 1 -8  -39 56 o 16.236  6.8973  7.6091     47.373   -5.6670    101.522  11.305     53.563   21.585  9.6100  17.391  7.3580  4.193916       12.10344 
1 1 1 -8  -39 57 o 44.474  13.492  329.290    158.291  329.290    158.291  0.0000     0.0000   44.474  13.492  ?       ?       0.000000       13.49160 
1 1 1 -8  -39 58 o 44.015  8.1436  267.570    83.769   394.023    155.436  215.809    99.446   49.470  12.838  38.004  10.456  11.46530       16.55743 
1 1 1 -8  -39 59 o 23.063  8.6837  62.082     66.110   63.380     132.843  61.655     76.219   27.248  11.561  23.686  9.2197  3.561853       14.78749 
1 1 1 -8  -39 60 o 48.646  5.7703  306.776    66.782   83.531     129.654  387.394    77.913   28.197  11.653  54.608  5.9778  -26.41144      13.09650 
1 1 1 -8  -39 61 o 14.898  6.5146  -3.6166    44.718   -13.8694   100.465  -1.0834    49.937   21.054  9.4530  15.896  6.9192  5.158548       11.71469 
1 1 1 -8  -39 62 o 25.858  9.4473  86.500     77.199   414.681    196.926  26.906     83.916   47.930  15.137  21.712  9.1993  26.21804       17.71281 
1 1 1 -8  -39 63 o 37.066  9.4241  200.641    84.945   267.557    211.497  187.770    92.755   38.624  15.261  35.384  10.227  3.240486       18.37075 
1 1 1 -8  -39 64 o 48.354  9.1092  336.393    102.955  151.386    233.996  380.807    114.649  33.505  14.769  51.086  9.6018  -17.58037      17.61597 
1 1 1 -8  -38 1  o 27.898  8.8758  100.871    67.615   93.229     77.264   125.864    139.725  27.481  9.5114  32.960  12.573  -5.478615      15.76541 
1 1 1 -8  -38 2  o 54.499  6.6515  379.107    86.132   425.670    101.770  261.556    161.702  57.434  7.4803  42.678  13.742  14.75571       15.64574 
1 1 1 -8  -38 3  o 61.260  6.4427  476.028    94.330   516.821    114.863  391.523    165.322  63.324  7.6292  52.181  13.082  11.14394       15.14406 
1 1 1 -8  -38 4  o 94.753  6.0677  1126.85    138.770  1167.32    176.245  1060.84    225.100  95.510  7.6698  88.948  10.641  6.561729       13.11700 
1 1 1 -8  -38 5  o 49.231  7.1512  311.713    82.925   378.543    105.373  202.985    134.404  53.838  8.3357  38.493  12.540  15.34560       15.05735 
1 1 1 -8  -38 6  o 26.364  8.5357  87.751     62.326   61.856     78.631   131.516    102.224  24.850  9.4433  32.113  10.947  -7.263424      14.45713 
1 1 1 -8  -38 7  o 91.978  5.7396  1055.71    127.454  1059.86    167.093  1049.95    197.094  91.207  7.6201  89.836  9.1705  1.371178       11.92324 
1 1 1 -8  -38 8  o 66.453  5.9087  553.337    94.279   547.679    123.305  561.301    146.281  65.292  7.9472  65.362  9.5018  -0.7040405E-01 12.38719 
1 1 1 -8  -38 9  o 82.865  5.7385  856.003    114.672  849.094    149.921  865.744    178.014  81.690  7.6528  81.709  9.1352  -0.1879120E-01 11.91714 
1 1 1 -8  -38 10 o 114.369 5.8251  1626.90    161.114  1583.96    212.216  1685.33    247.541  111.718 7.8793  114.511 8.9811  -2.793373      11.94753 
1 1 1 -8  -38 11 o 91.864  5.8505  1050.27    129.728  940.212    163.352  1238.23    213.471  85.998  7.9173  98.114  9.0696  -12.11609      12.03917 
1 1 1 -8  -38 12 o 60.021  7.8045  460.095    110.972  460.095    110.972  0.0000     0.0000   60.021  7.8045  ?       ?       0.000000       7.804527 
1 1 1 -8  -38 13 o 41.361  9.0817  225.332    88.647   225.332    88.647   0.0000     0.0000   41.361  9.0817  ?       ?       0.000000       9.081695 
1 1 1 -8  -38 14 o 50.981  8.7453  337.097    104.286  337.097    104.286  0.0000     0.0000   50.981  8.7453  ?       ?       0.000000       8.745273 
1 1 1 -8  -38 15 o 201.826 7.1633  5081.80    350.794  4718.86    476.704  5510.45    518.070  191.466 10.299  207.134 10.308  -15.66809      14.57128 
1 1 1 -8  -38 16 o 131.586 5.8155  2138.60    185.677  2056.97    250.997  2237.27    275.945  127.737 8.1406  132.951 8.6001  -5.213837      11.84190 
1 1 1 -8  -38 17 o 79.928  5.4503  790.468    105.072  787.343    141.684  794.286    156.624  79.101  7.4705  79.134  8.2796  -0.3305054E-01 11.15168 
1 1 1 -8  -38 18 o 104.715 3.9294  1340.69    99.837   1424.08    146.308  1268.02    136.576  107.342 5.6371  101.293 5.5784  6.049301       7.930643 
1 1 1 -8  -38 19 o 32.947  5.4659  137.034    42.164   111.369    70.777   151.153    52.496   29.581  9.0322  34.398  6.5285  -4.816883      11.14461 
1 1 1 -8  -38 20 o 26.297  6.4385  88.930     40.752   103.421    68.503   80.993     50.700   28.644  8.9095  25.335  7.6243  3.308393       11.72644 
1 1 1 -8  -38 21 o 83.403  3.8679  849.997    78.275   815.833    117.850  876.966    104.708  81.083  6.0333  84.334  5.1415  -3.250931      7.926880 
1 1 1 -8  -38 22 o 105.422 3.9396  1358.34    100.774  1447.85    147.645  1280.28    137.886  108.283 5.6390  101.818 5.6028  6.464378       7.949160 
1 1 1 -8  -38 23 o 38.712  6.3220  189.783    57.333   0.0000     0.0000   189.783    57.333   ?       ?       38.712  6.3220  0.000000       6.322032 
1 1 1 -8  -38 24 o 104.370 5.4121  1343.47    136.587  0.0000     0.0000   1343.47    136.587  ?       ?       104.370 5.4121  0.000000       5.412080 
1 1 1 -8  -38 25 o 79.957  5.3224  789.510    102.670  0.0000     0.0000   789.510    102.670  ?       ?       79.957  5.3224  0.000000       5.322444 
1 1 1 -8  -38 26 o 35.990  5.2719  162.489    44.673   153.068    71.723   168.460    57.102   34.254  8.6326  36.321  6.7270  -2.067036      10.94417 
1 1 1 -8  -38 27 o 35.901  4.7829  160.818    40.628   173.279    58.362   149.102    56.591   36.831  6.7805  34.040  7.0823  2.791107       9.804769 
1 1 1 -8  -38 28 o 99.847  3.8168  1218.37    92.470   1232.63    131.400  1204.38    130.153  99.914  5.4406  98.755  5.4528  1.158600       7.702738 
1 1 1 -8  -38 29 o 79.929  3.7742  780.763    73.197   878.413    105.050  688.613    102.049  84.363  5.1567  74.514  5.6872  9.848946       7.676960 
1 1 1 -8  -38 30 o 129.307 4.0656  2046.30    127.559  2088.94    181.820  2004.97    179.003  130.079 5.7606  127.427 5.7894  2.652206       8.167140 
1 1 1 -8  -38 31 o 180.987 5.4231  4037.90    238.154  3963.90    296.115  4173.45    400.750  178.490 6.8373  181.177 9.1456  -2.686874      11.41883 
1 1 1 -8  -38 32 o 46.380  4.3266  265.949    48.128   237.555    69.967   291.449    66.306   43.176  6.9118  48.235  5.7805  -5.059071      9.010364 
1 1 1 -8  -38 33 o 18.762  6.3426  40.951     34.314   -33.4620   51.235   101.476    46.207   14.316  6.5539  27.996  6.8567  -13.67990      9.485141 
1 1 1 -8  -38 34 o 68.548  3.9024  577.154    64.638   585.895    92.215   568.711    90.631   68.630  5.5860  67.614  5.5740  1.016670       7.891330 
1 1 1 -8  -38 35 o 85.348  3.8424  891.997    79.573   852.130    114.431  929.327    110.727  82.766  5.7334  86.604  5.2948  -3.837906      7.804273 
1 1 1 -8  -38 36 o 105.703 3.6955  1367.73    94.782   1311.91    144.918  1409.46    125.297  102.686 5.8404  106.967 4.8275  -4.281212      7.577302 
1 1 1 -8  -38 37 o 77.744  4.3881  745.225    82.439   763.451    106.361  717.799    130.472  78.290  5.6368  75.273  7.2326  3.017288       9.169726 
1 1 1 -8  -38 38 o 57.459  5.6520  413.300    77.780   369.475    125.092  440.921    99.311   52.548  10.179  58.861  7.0966  -6.313725      12.40832 
1 1 1 -8  -38 39 o 86.130  5.4506  923.167    113.323  988.472    177.600  878.318    147.179  87.636  8.4571  83.146  7.3717  4.490379       11.21892 
1 1 1 -8  -38 40 o 21.772  7.4709  55.792     47.620   -14.6068   84.046   89.077     57.791   20.099  8.8559  26.375  8.1799  -6.276236      12.05562 
1 1 1 -8  -38 41 o 54.406  4.2400  366.304    55.532   280.080    122.333  388.683    62.323   45.035  11.233  55.949  4.6325  -10.91396      12.15056 
1 1 1 -8  -38 42 o 95.742  3.7618  1124.81    87.390   1039.07    138.036  1182.17    112.897  90.903  6.2970  97.822  4.7564  -6.918694      7.891459 
1 1 1 -8  -38 43 o 56.730  3.8885  397.101    53.203   450.659    89.730   368.064    66.069   59.682  6.2910  54.284  5.0749  5.398335       8.082804 
1 1 1 -8  -38 44 o 49.808  4.1495  307.370    49.693   204.550    87.102   356.986    60.506   38.934  9.3399  53.552  4.7042  -14.61759      10.45765 
1 1 1 -8  -38 45 o 33.093  5.1403  138.882    39.936   194.635    72.932   115.006    47.727   38.337  8.0944  29.646  6.7819  8.690548       10.55998 
1 1 1 -8  -38 46 o 33.093  6.6311  142.542    51.391   204.285    96.889   118.370    60.622   38.563  10.198  29.850  8.1437  8.713085       13.05087 
1 1 1 -8  -38 47 o 16.785  6.6367  21.290     40.025   -62.1836   82.486   46.997     45.775   17.422  8.0961  20.447  7.3007  -3.024733      10.90175 
1 1 1 -8  -38 48 o 43.278  5.8100  238.498    59.469   131.778    105.778  287.819    71.910   31.877  11.123  47.378  6.4208  -15.50049      12.84355 
1 1 1 -8  -38 49 o 58.353  5.2710  428.191    73.826   482.151    129.733  402.349    89.780   59.937  9.2157  55.930  6.7522  4.006641       11.42461 
1 1 1 -8  -38 50 o 61.343  4.0722  466.842    60.268   428.821    106.308  484.849    73.161   57.095  7.8840  62.223  4.8851  -5.128128      9.274780 
1 1 1 -8  -38 51 f 50.509  4.3933  318.769    53.306   295.969    97.323   328.540    63.713   46.650  8.9232  50.984  5.2240  -4.333359      10.33989 
1 1 1 -8  -38 52 o 32.427  5.9745  136.947    45.277   158.808    83.906   127.967    53.778   33.696  9.7233  30.894  7.2914  2.801973       12.15347 
1 1 1 -8  -38 53 o 53.368  4.4358  356.826    56.920   366.541    100.323  352.214    69.122   52.223  8.1863  52.580  5.4992  -0.3571243     9.861863 
1 1 1 -8  -38 54 o 27.486  6.7654  101.165    44.816   131.622    81.333   87.886     53.704   30.722  9.7305  25.625  7.8752  5.096958       12.51799 
1 1 1 -8  -38 55 o 33.775  6.7756  152.228    53.596   210.698    109.701  133.896    61.426   37.617  11.191  31.166  8.0620  6.451204       13.79289 
1 1 1 -8  -38 56 o 21.596  8.2799  49.426     60.788   3.4248     98.951   77.309     77.039   21.914  9.6339  25.234  9.3988  -3.319592      13.45911 
1 1 1 -8  -38 57 o 40.742  5.9600  216.580    57.176   278.697    111.594  194.469    66.579   43.350  10.679  37.816  7.5208  5.533627       13.06169 
1 1 1 -8  -38 58 o 35.269  8.5104  174.584    71.993   222.631    123.128  149.625    88.743   37.889  11.969  32.121  10.163  5.768581       15.70192 
1 1 1 -8  -38 59 o 37.951  8.3977  200.915    75.283   125.577    128.751  240.054    92.800   30.776  11.982  40.863  9.5339  -10.08669      15.31215 
1 1 1 -8  -38 60 o 29.419  7.2435  118.084    51.361   133.377    101.674  112.844    59.513   30.731  10.891  28.523  8.1767  2.208475       13.61844 
1 1 1 -8  -38 61 o 12.557  5.8476  -34.6866   43.398   -54.4991   86.726   -28.0682   50.125   17.843  8.2950  14.121  6.4711  3.722679       10.52055 
1 1 1 -8  -38 62 o 20.187  7.4831  45.952     48.720   142.539    99.917   15.824     55.803   31.432  10.820  18.046  7.5658  13.38648       13.20256 
1 1 1 -8  -38 63 o 24.815  9.7095  69.209     84.870   229.485    185.193  26.599     95.487   37.296  14.412  22.713  9.7237  14.58391       17.38539 
1 1 1 -8  -38 64 o 28.128  10.020  110.021    86.184   538.577    227.297  38.062     93.139   53.016  16.186  23.087  9.7317  29.92931       18.88625 
1 1 1 -8  -37 1  o 108.872 4.2946  1459.73    113.451  1558.02    164.450  1370.48    156.717  111.485 6.1024  104.481 6.2098  7.004379       8.706368 
1 1 1 -8  -37 2  o 74.481  4.3694  685.493    78.619   665.170    114.170  703.821    108.421  72.548  6.5566  74.873  6.0188  -2.324783      8.900308 
1 1 1 -8  -37 3  o 172.928 4.8099  3692.77    201.820  3725.63    291.103  3662.37    280.050  172.040 6.9735  170.761 6.7590  1.279510       9.711564 
1 1 1 -8  -37 4  o 125.651 4.3432  1942.29    132.417  1918.17    191.885  1964.22    182.966  123.712 6.4144  125.569 6.0051  -1.857140      8.786735 
1 1 1 -8  -37 5  o 46.141  5.1151  266.130    56.304   274.925    83.639   258.841    76.140   46.076  7.7568  44.855  7.2426  1.220753       10.61241 
1 1 1 -8  -37 6  o 71.240  4.2812  625.563    73.660   636.063    109.373  616.846    99.647   71.157  6.4033  70.247  5.9009  0.9101257      8.707611 
1 1 1 -8  -37 7  o 24.394  8.0101  72.912     54.803   205.639    146.155  51.197     59.117   39.348  13.089  22.301  8.2476  17.04715       15.47064 
1 1 1 -8  -37 8  o 76.553  7.0045  738.026    128.666  774.117    205.007  714.570    165.269  76.223  11.437  74.265  9.3808  1.958717       14.79240 
1 1 1 -8  -37 9  o 56.465  6.2334  400.077    83.978   415.070    108.187  377.347    133.203  56.919  8.0587  53.208  10.688  3.710430       13.38602 
1 1 1 -8  -37 10 o 38.619  7.9379  193.592    71.896   124.908    85.766   355.938    131.859  31.348  9.9989  51.646  10.866  -20.29783      14.76675 
1 1 1 -8  -37 11 o 82.277  7.3540  851.039    145.266  851.039    145.266  0.0000     0.0000   82.277  7.3540  ?       ?       0.000000       7.353954 
1 1 1 -8  -37 12 o 111.634 7.6729  1563.83    206.575  1563.83    206.575  0.0000     0.0000   111.634 7.6729  ?       ?       0.000000       7.672917 
1 1 1 -8  -37 13 o 91.647  7.3810  1052.15    162.742  1052.15    162.742  0.0000     0.0000   91.647  7.3810  ?       ?       0.000000       7.380956 
1 1 1 -8  -37 14 o 108.950 5.7599  1466.26    151.725  1423.16    196.687  1529.59    238.429  106.607 7.6547  109.889 9.0218  -3.281662      11.83158 
1 1 1 -8  -37 15 o 84.368  5.4832  878.737    111.638  855.348    148.081  909.535    169.923  82.627  7.4667  84.894  8.3576  -2.266518      11.20719 
1 1 1 -8  -37 16 o 100.658 5.4644  1248.68    132.962  1222.13    178.925  1281.42    198.699  98.899  7.5123  101.015 8.1769  -2.116608      11.10386 
1 1 1 -8  -37 17 o 70.662  5.4339  616.781    92.453   581.521    122.547  663.361    140.851  68.034  7.5509  72.522  8.1452  -4.487976      11.10678 
1 1 1 -8  -37 18 f 30.652  7.9523  121.252    59.651   127.495    80.701   113.732    88.565   31.673  9.6389  30.611  10.189  1.061386       14.02594 
1 1 1 -8  -37 19 o 74.460  5.4695  684.237    98.126   630.635    131.861  750.760    146.895  70.841  7.8006  77.316  7.9431  -6.475128      11.13295 
1 1 1 -8  -37 20 o 90.148  5.4069  1000.79    117.723  881.639    158.465  1147.55    175.861  83.880  7.8782  95.878  7.6223  -11.99762      10.96204 
1 1 1 -8  -37 21 o 179.656 4.6840  3949.45    204.187  4161.12    292.770  3748.99    284.917  183.652 6.5700  174.244 6.7390  9.407272       9.411670 
1 1 1 -8  -37 22 o 94.964  5.2935  1109.36    121.489  0.0000     0.0000   1109.36    121.489  ?       ?       94.964  5.2935  0.000000       5.293494 
1 1 1 -8  -37 23 o 96.192  5.3176  1138.28    123.632  0.0000     0.0000   1138.28    123.632  ?       ?       96.192  5.3176  0.000000       5.317592 
1 1 1 -8  -37 24 o 177.728 6.5146  3895.82    280.935  0.0000     0.0000   3895.82    280.935  ?       ?       177.728 6.5146  0.000000       6.514590 
1 1 1 -8  -37 25 o 89.689  3.8813  981.726    84.466   1087.45    124.682  892.043    114.832  93.962  5.4926  85.047  5.5960  8.915749       7.841135 
1 1 1 -8  -37 26 o 67.082  3.7797  550.773    61.271   544.402    87.453   556.914    85.869   66.371  5.4793  67.172  5.3118  -0.8001556     7.631426 
1 1 1 -8  -37 27 o 40.377  4.5240  201.875    43.560   228.285    63.486   178.380    59.880   42.589  6.3366  37.433  6.8450  5.156406       9.327682 
1 1 1 -8  -37 28 o 72.184  3.7738  637.613    65.868   596.689    93.225   678.408    93.078   69.464  5.5781  74.183  5.2040  -4.718925      7.628689 
1 1 1 -8  -37 29 o 96.022  3.7871  1125.51    88.236   1130.20    125.870  1120.98    123.726  95.761  5.4396  95.388  5.3675  0.3730087      7.641937 
1 1 1 -8  -37 30 o 79.522  3.7580  772.023    72.511   763.995    104.003  779.616    101.147  78.647  5.4844  79.503  5.2732  -0.8567200     7.608263 
1 1 1 -8  -37 31 o 97.120  4.3013  1154.13    101.360  1123.05    128.060  1206.24    165.848  95.378  5.5576  98.374  6.9936  -2.995804      8.932957 
1 1 1 -8  -37 32 o 90.665  3.7872  1004.15    83.315   947.454    118.862  1058.91    116.815  87.534  5.6261  92.678  5.2158  -5.144096      7.671883 
1 1 1 -8  -37 33 o 105.762 3.8792  1367.32    99.548   1346.97    142.729  1386.60    138.914  104.386 5.6563  105.995 5.4194  -1.608437      7.833460 
1 1 1 -8  -37 34 o 87.662  3.8269  939.494    81.400   1061.01    117.369  826.880    112.990  92.708  5.2390  81.661  5.7389  11.04684       7.770612 
1 1 1 -8  -37 35 o 18.081  5.7136  39.871     28.056   27.064     50.649   45.541     33.698   18.993  7.4797  19.418  6.2753  -0.4247379     9.763424 
1 1 1 -8  -37 36 o 54.135  3.6977  359.977    48.280   375.865    79.039   350.520    60.978   54.773  6.0480  53.196  4.7751  1.576809       7.705847 
1 1 1 -8  -37 37 o 71.618  3.5281  626.971    61.310   595.650    97.247   647.633    78.984   69.123  5.8532  72.481  4.5134  -3.358528      7.391257 
1 1 1 -8  -37 38 o 17.538  5.7102  36.903     27.872   -21.3032   51.962   60.415     33.025   15.191  6.8109  21.739  6.0429  -6.547706      9.105243 
1 1 1 -8  -37 39 o 61.417  5.4675  470.175    80.626   385.760    130.415  522.398    102.577  53.745  10.376  64.361  6.6651  -10.61610      12.33256 
1 1 1 -8  -37 40 o 48.222  6.0153  293.296    68.852   274.427    113.231  304.366    86.727   45.039  10.547  48.611  7.6018  -3.572155      13.00091 
1 1 1 -8  -37 41 o 118.233 5.7115  1735.94    163.853  1666.69    248.742  1789.02    217.779  113.556 9.1042  118.769 7.5968  -5.212669      11.85738 
1 1 1 -8  -37 42 o 158.987 4.3433  3109.92    167.549  3165.68    251.624  3065.50    224.577  159.024 6.5212  156.929 5.8979  2.095123       8.792692 
1 1 1 -8  -37 43 o 60.741  3.8812  454.570    56.902   525.764    96.752   416.923    70.357   64.591  6.2516  57.845  5.0637  6.745792       8.045104 
1 1 1 -8  -37 44 o 102.681 3.8260  1293.91    95.323   1259.43    150.755  1316.88    123.042  100.187 6.2323  103.207 4.9134  -3.019211      7.936211 
1 1 1 -8  -37 45 o 64.021  3.8398  504.925    59.373   670.037    100.597  416.663    73.550   73.152  5.7129  57.722  5.3110  15.42996       7.800248 
1 1 1 -8  -37 46 o 41.107  4.6801  211.286    45.849   164.723    80.603   233.559    55.746   34.973  9.3271  43.027  5.4627  -8.053665      10.80909 
1 1 1 -8  -37 47 o 18.656  6.9249  35.259     41.751   -107.0749  84.715   80.923     47.983   16.019  7.6675  24.996  7.3935  -8.977102      10.65150 
1 1 1 -8  -37 48 o 69.097  5.2130  596.591    86.756   542.107    151.337  623.261    105.882  63.356  10.190  70.179  6.2845  -6.823067      11.97199 
1 1 1 -8  -37 49 o 63.561  5.3459  506.744    81.681   377.751    145.107  566.575    98.825   51.620  11.838  66.885  6.1586  -15.26499      13.34378 
1 1 1 -8  -37 50 o 44.739  4.5477  250.305    48.681   307.786    88.038   224.988    58.427   48.418  7.7555  41.963  5.9013  6.454987       9.745354 
1 1 1 -8  -37 51 o 79.703  3.9483  783.730    76.358   808.735    125.629  769.081    96.159   79.575  6.5651  78.378  5.0837  1.197304       8.303328 
1 1 1 -8  -37 52 o 104.334 4.0357  1345.54    102.165  1332.40    165.077  1353.69    130.069  101.989 6.7081  104.045 5.1521  -2.056458      8.458290 
1 1 1 -8  -37 53 o 65.551  4.1654  534.459    65.909   446.510    111.748  581.373    81.616   57.898  8.1824  68.027  4.9792  -10.12874      9.578297 
1 1 1 -8  -37 54 o 29.629  6.2009  115.554    43.148   206.750    75.346   71.051     52.634   38.986  8.2238  23.589  7.8550  15.39713       11.37239 
1 1 1 -8  -37 55 o 61.151  4.4250  468.245    65.213   419.963    110.584  493.988    80.748   55.695  8.4481  62.358  5.3897  -6.663166      10.02096 
1 1 1 -8  -37 56 o 21.138  8.1128  46.035     58.397   -12.9957   88.741   91.122     77.555   20.136  8.9735  26.627  9.5034  -6.490496      13.07050 
1 1 1 -8  -37 57 o 44.013  5.4753  248.990    57.209   396.667    107.811  191.109    67.495   53.807  8.5432  37.482  7.6797  16.32577       11.48753 
1 1 1 -8  -37 58 o 25.817  8.6001  88.990     63.091   56.481     104.314  107.741    79.223   25.383  10.468  28.137  9.6367  -2.753231      14.22800 
1 1 1 -8  -37 59 f 33.421  8.6836  157.001    71.058   269.597    122.581  100.018    87.204   42.028  11.628  27.651  10.050  14.37688       15.36918 
1 1 1 -8  -37 60 o 51.506  7.2710  353.524    88.342   335.710    149.359  363.109    109.561  45.971  12.877  50.911  9.2081  -4.939888      15.83036 
1 1 1 -8  -37 61 o 23.086  7.5230  69.628     48.375   111.836    97.855   55.976     55.651   29.025  10.632  21.878  8.0169  7.147430       13.31544 
1 1 1 -8  -37 62 o 34.141  7.1139  157.288    57.020   119.624    109.388  171.339    66.815   29.940  11.190  35.255  7.9948  -5.315060      13.75260 
1 1 1 -8  -37 63 o 60.779  7.6968  496.857    110.964  486.690    254.044  499.255    123.354  49.783  17.246  60.141  8.7065  -10.35802      19.31890 
1 1 1 -8  -37 64 o 39.944  9.8361  233.414    94.698   825.958    239.476  123.581    103.102  70.224  14.533  29.793  10.913  40.43059       18.17449 
1 1 1 -8  -36 1  f 108.105 4.2531  1436.77    111.561  1406.94    161.834  1463.78    154.000  105.963 6.3232  108.320 5.8814  -2.356522      8.635591 
1 1 1 -8  -36 2  o 146.028 4.4996  2624.21    159.433  2755.35    230.331  2503.57    220.909  148.568 6.3895  141.592 6.4300  6.975708       9.064767 
1 1 1 -8  -36 3  o 16.377  6.7660  11.043     43.695   13.122     63.835   9.2109     59.937   19.420  8.1131  18.599  7.8217  0.8204422      11.26945 
1 1 1 -8  -36 4  o 44.408  5.3609  246.989    56.596   214.439    82.247   276.264    78.000   40.383  8.6542  46.478  7.1452  -6.095314      11.22267 
1 1 1 -8  -36 5  o 83.374  4.1226  852.050    83.399   878.953    123.039  829.183    113.434  83.972  6.0799  81.660  5.7619  2.312469       8.376417 
1 1 1 -8  -36 6  o 46.102  5.0592  264.638    55.663   292.839    83.935   242.498    74.369   47.853  7.4732  43.508  7.3035  4.345058       10.44944 
1 1 1 -8  -36 7  o 27.900  6.7273  100.513    45.011   48.564     69.255   138.507    59.226   23.097  8.8420  32.652  7.6153  -9.554831      11.66935 
1 1 1 -8  -36 8  o 59.599  4.3447  437.342    62.396   390.666    94.304   473.687    83.215   55.601  7.1563  61.746  5.6157  -6.145493      9.096588 
1 1 1 -8  -36 9  o 110.506 4.0622  1493.33    108.919  1494.89    158.587  1491.94    149.854  109.906 5.9692  109.914 5.6379  -0.8171082E-02 8.210745 
1 1 1 -8  -36 10 o 114.310 4.6619  1601.01    129.304  1614.12    164.443  1579.78    209.287  114.277 5.9511  112.346 7.7244  1.930573       9.751045 
1 1 1 -8  -36 11 o 62.751  6.3683  490.807    95.620   490.807    95.620   0.0000     0.0000   62.751  6.3683  ?       ?       0.000000       6.368338 
1 1 1 -8  -36 12 o 119.676 5.9384  1762.82    172.441  1762.82    172.441  0.0000     0.0000   119.676 5.9384  ?       ?       0.000000       5.938379 
1 1 1 -8  -36 13 o 61.607  4.8970  467.631    72.598   458.668    93.332   481.362    115.519  60.672  6.4383  61.778  7.8864  -1.106728      10.18067 
1 1 1 -8  -36 14 o 65.154  4.1096  520.296    64.635   560.337    96.965   488.278    86.709   67.250  6.0055  62.798  5.7546  4.452473       8.317556 
1 1 1 -8  -36 15 o 22.173  7.7914  54.154     51.942   -32.1118   70.514   156.487    76.801   17.577  7.9034  34.766  9.0251  -17.18894      11.99653 
1 1 1 -8  -36 16 f 38.857  7.0748  191.886    64.247   224.847    86.724   151.792    95.648   41.741  8.8379  34.543  10.489  7.198170       13.71629 
1 1 1 -8  -36 17 o 69.377  5.4406  593.278    90.850   567.973    123.367  623.261    134.290  67.343  7.6877  70.496  7.9920  -3.153793      11.08934 
1 1 1 -8  -36 18 o 64.276  5.6402  510.236    87.076   558.079    117.417  451.771    129.798  66.847  7.3611  59.535  9.2885  7.311729       11.85165 
1 1 1 -8  -36 19 o 76.654  5.4349  723.177    100.431  683.402    135.654  771.423    149.401  73.979  7.6685  78.566  7.9464  -4.586586      11.04314 
1 1 1 -8  -36 20 o 110.336 5.5497  1495.10    148.102  1582.07    200.946  1391.68    219.129  112.992 7.3698  105.529 8.6335  7.463257       11.35122 
1 1 1 -8  -36 21 o 40.546  10.257  213.849    100.980  0.0000     0.0000   213.849    100.980  ?       ?       40.546  10.257  0.000000       10.25673 
1 1 1 -8  -36 22 o 191.332 10.065  4594.33    465.609  0.0000     0.0000   4594.33    465.609  ?       ?       191.332 10.065  0.000000       10.06464 
1 1 1 -8  -36 23 o 42.780  10.207  238.115    104.467  0.0000     0.0000   238.115    104.467  ?       ?       42.780  10.207  0.000000       10.20656 
1 1 1 -8  -36 24 o 104.397 3.8719  1328.55    98.078   1335.92    143.935  1322.16    134.003  104.243 5.7123  103.790 5.3391  0.4537811      7.818971 
1 1 1 -8  -36 25 o 66.049  3.8052  533.474    60.724   467.153    86.659   597.454    85.116   61.439  5.8851  69.708  5.0670  -8.269005      7.765874 
1 1 1 -8  -36 26 o 49.008  4.1146  295.041    48.476   251.101    71.036   333.337    66.317   44.680  6.7640  51.908  5.3416  -7.228001      8.618855 
1 1 1 -8  -36 27 o 65.239  3.7900  520.581    59.736   560.668    85.311   482.020    83.671   67.470  5.2525  62.466  5.5791  5.004055       7.662593 
1 1 1 -8  -36 28 o 46.661  4.1985  267.863    47.026   258.224    66.258   277.646    66.754   45.438  6.1692  47.189  5.9631  -1.750973      8.580132 
1 1 1 -8  -36 29 o 27.814  5.7018  98.340     37.188   91.843     55.597   103.600    50.026   26.977  7.9526  28.417  7.2359  -1.440689      10.75187 
1 1 1 -8  -36 30 o 64.090  3.8453  502.846    59.521   493.230    85.758   511.784    82.677   63.142  5.6575  64.394  5.3397  -1.252148      7.779398 
1 1 1 -8  -36 31 o 58.650  3.9667  421.758    56.118   407.568    80.666   435.066    78.120   57.286  5.8871  59.292  5.4924  -2.005966      8.051333 
1 1 1 -8  -36 32 o 111.595 3.9185  1520.32    106.103  1522.36    151.206  1518.33    148.923  111.167 5.6240  111.182 5.5203  -0.1443481E-01 7.880545 
1 1 1 -8  -36 33 o 57.081  4.0007  399.917    55.061   422.785    78.665   377.952    77.094   58.380  5.6229  55.115  5.8545  3.264297       8.117369 
1 1 1 -8  -36 34 o 109.703 3.6527  1468.87    97.230   1512.36    147.795  1435.69    129.100  110.898 5.4925  108.194 4.9177  2.703377       7.372339 
1 1 1 -8  -36 35 o 100.256 3.5790  1226.87    87.064   1343.80    133.492  1140.32    114.855  104.422 5.2859  96.270  4.9335  8.151756       7.230482 
1 1 1 -8  -36 36 o 56.912  3.6365  397.160    49.955   450.428    81.623   365.258    63.167   60.196  5.6546  54.341  4.8414  5.854214       7.444049 
1 1 1 -8  -36 37 o 34.858  4.3477  151.134    35.974   83.742     61.808   185.657    44.238   26.113  8.5034  38.590  4.8303  -12.47711      9.779562 
1 1 1 -8  -36 38 o 46.147  3.8827  262.347    43.071   275.703    71.471   254.731    53.972   46.708  6.4809  45.240  5.0004  1.468182       8.185744 
1 1 1 -8  -36 39 o 76.340  3.5960  712.482    66.609   621.694    106.212  771.333    85.515   70.503  6.2743  79.144  4.4714  -8.640488      7.704535 
1 1 1 -8  -36 40 o 35.808  6.8692  165.104    57.512   108.376    96.891   195.963    71.462   30.195  10.639  38.807  7.8588  -8.611975      13.22661 
1 1 1 -8  -36 41 o 21.685  7.4743  54.550     47.689   -12.0809   84.740   85.433     57.692   20.416  8.9466  26.019  8.1899  -5.603813      12.12917 
1 1 1 -8  -36 42 o 132.708 5.9090  2187.99    190.273  2136.75    286.857  2228.25    254.256  128.702 9.2474  132.466 7.9472  -3.763992      12.19317 
1 1 1 -8  -36 43 o 95.874  3.6536  1125.81    84.994   1288.72    134.575  1017.71    109.626  101.845 5.4657  90.650  5.0034  11.19489       7.410010 
1 1 1 -8  -36 44 o 65.824  3.8355  533.110    60.993   440.933    101.596  585.054    76.267   58.754  7.2826  68.762  4.5976  -10.00875      8.612491 
1 1 1 -8  -36 45 o 94.512  3.7672  1095.34    86.391   1138.31    138.932  1068.25    110.312  95.383  6.0341  92.868  4.9129  2.514862       7.781151 
1 1 1 -8  -36 46 o 120.565 3.9666  1785.09    116.039  1847.50    181.435  1741.90    150.948  121.471 6.1762  118.561 5.2471  2.909340       8.104137 
1 1 1 -8  -36 47 o 51.831  4.1761  332.535    52.075   374.778    90.114   311.355    63.807   54.118  7.0284  49.819  5.3631  4.299541       8.840899 
1 1 1 -8  -36 48 o 76.722  5.1528  733.085    95.368   822.384    164.418  687.809    117.074  79.485  8.6655  73.689  6.6184  5.796600       10.90386 
1 1 1 -8  -36 49 o 64.809  5.2595  525.156    81.993   590.311    146.194  495.256    99.036   66.781  9.2724  62.378  6.6456  4.403225       11.40794 
1 1 1 -8  -36 50 o 68.341  5.4834  585.935    90.162   600.050    156.030  578.859    110.474  66.796  9.9291  67.309  6.8602  -0.5125885     12.06855 
1 1 1 -8  -36 51 o 45.831  4.6614  262.846    51.116   218.158    87.737   285.808    62.891   40.038  9.2214  47.516  5.5600  -7.478310      10.76791 
1 1 1 -8  -36 52 o 67.898  4.0949  571.278    67.147   465.474    112.701  629.506    83.607   59.516  8.0075  70.979  4.8843  -11.46303      9.379563 
1 1 1 -8  -36 53 o 65.102  4.1494  526.295    65.204   459.912    109.151  563.130    81.306   59.151  7.7949  66.992  5.0388  -7.840649      9.281685 
1 1 1 -8  -36 54 o 20.972  6.8357  55.268     39.939   74.259     70.360   46.241     48.511   24.943  9.0335  20.447  7.4862  4.496107       11.73231 
1 1 1 -8  -36 55 o 42.107  5.0438  225.011    50.506   196.047    89.889   238.374    61.055   37.253  9.8092  42.971  6.0210  -5.717793      11.50974 
1 1 1 -8  -36 56 o 32.747  6.5438  141.895    50.176   128.212    92.788   147.551    59.650   30.572  10.429  33.001  7.6055  -2.428411      12.90796 
1 1 1 -8  -36 57 o 33.886  6.5907  152.264    52.238   198.347    99.742   134.846    61.321   36.883  10.589  31.329  8.0297  5.553835       13.28923 
1 1 1 -8  -36 58 o 26.511  7.4871  95.242     50.280   31.588     96.844   118.731    58.830   23.394  9.8957  29.384  8.0248  -5.990160      12.74059 
1 1 1 -8  -36 59 o 13.280  6.2226  -44.3971   50.400   -1.8581    84.441   -67.9378   62.816   20.246  8.9001  14.152  6.7258  6.093648       11.15563 
1 1 1 -8  -36 60 o 34.761  8.6098  168.672    72.242   186.694    124.443  159.511    88.722   35.352  12.078  33.298  10.101  2.053547       15.74478 
1 1 1 -8  -36 61 o 22.411  7.7380  62.853     51.124   25.116     100.318  76.091     59.419   23.309  9.9725  24.329  8.3454  -1.019480      13.00371 
1 1 1 -8  -36 62 o 24.325  7.7415  78.386     51.434   112.989    103.180  66.944     59.332   29.376  10.890  23.322  8.3135  6.054296       13.70044 
1 1 1 -8  -36 63 o 37.611  9.9790  205.032    92.571   116.482    232.107  221.781    100.947  33.938  14.841  38.851  10.471  -4.912651      18.16339 
1 1 1 -8  -36 64 o 35.306  10.155  182.817    91.660   35.543     235.062  209.226    99.539   31.155  14.176  37.552  10.510  -6.396973      17.64713 
1 1 1 -8  -36 65 o 21.557  9.2842  18.586     88.011   256.024    227.023  -23.4104   95.478   38.386  15.590  20.067  9.0935  18.31882       18.04840 
1 1 1 -8  -35 1  o 81.115  4.0860  808.863    80.163   924.677    116.676  705.316    110.325  86.258  5.6051  75.115  6.1060  11.14278       8.288544 
1 1 1 -8  -35 2  f 71.072  4.1577  621.360    71.387   623.001    102.496  619.813    99.484   70.634  6.0384  70.508  5.8683  0.1264191      8.420133 
1 1 1 -8  -35 3  o 51.251  4.4827  324.737    55.184   319.215    78.230   330.206    77.857   50.280  6.5694  51.198  6.4076  -0.9182358     9.176826 
1 1 1 -8  -35 4  o 131.194 4.2339  2108.43    134.778  2025.31    195.215  2184.15    186.306  127.840 6.2933  132.980 5.7740  -5.139572      8.540796 
1 1 1 -8  -35 5  o 24.153  6.4555  74.776     38.558   58.987     52.225   93.695     57.168   22.667  7.8212  27.132  8.0805  -4.464832      11.24573 
1 1 1 -8  -35 6  o 51.835  4.2764  330.976    53.306   326.080    77.502   335.371    73.434   50.972  6.4080  51.821  5.9479  -0.8487396     8.742977 
1 1 1 -8  -35 7  o 68.920  3.9817  582.214    66.301   624.497    98.005   546.532    90.029   71.007  5.7373  66.422  5.6394  4.585548       8.044828 
1 1 1 -8  -35 8  o 221.782 5.3284  6037.94    286.737  6199.24    410.466  5884.21    400.725  223.399 7.5724  217.638 7.5884  5.760971       10.72027 
1 1 1 -8  -35 9  o 70.380  5.8065  612.826    98.273   612.826    98.273   0.0000     0.0000   70.380  5.8065  ?       ?       0.000000       5.806502 
1 1 1 -8  -35 10 o 93.315  7.0203  1081.27    157.789  1081.27    157.789  0.0000     0.0000   93.315  7.0203  ?       ?       0.000000       7.020334 
1 1 1 -8  -35 11 o 55.977  6.5786  390.883    87.648   390.883    87.648   0.0000     0.0000   55.977  6.5786  ?       ?       0.000000       6.578590 
1 1 1 -8  -35 12 o 181.225 4.7663  4014.22    209.588  3927.20    298.747  4098.56    294.112  178.528 6.8966  182.483 6.6424  -3.955170      9.575191 
1 1 1 -8  -35 13 o 30.372  5.9650  116.987    42.390   100.469    66.537   128.271    54.996   28.426  8.7707  31.636  7.3112  -3.210377      11.41835 
1 1 1 -8  -35 14 o 80.625  3.9161  792.242    76.611   833.769    113.802  757.825    103.602  82.303  5.7345  78.498  5.4736  3.804619       7.927456 
1 1 1 -8  -35 15 o 58.689  4.0935  421.909    57.928   428.795    89.062   416.860    76.265   58.781  6.3450  58.117  5.4727  0.6644897      8.379100 
1 1 1 -8  -35 16 o 109.928 3.9208  1472.34    104.580  1485.17    153.498  1461.22    142.871  109.986 5.7719  109.306 5.3869  0.6804504      7.895144 
1 1 1 -8  -35 17 o 83.730  3.8636  853.968    78.493   963.905    117.495  765.356    105.486  88.609  5.4919  78.909  5.5446  9.699181       7.804072 
1 1 1 -8  -35 18 o 79.502  4.7271  774.025    90.778   769.890    112.373  781.792    154.012  79.085  5.8985  79.192  8.1305  -0.1072235     10.04471 
1 1 1 -8  -35 19 o 119.305 5.5294  1740.53    160.066  1596.37    217.652  1910.33    236.221  113.517 7.9522  124.250 7.8761  -10.73271      11.19241 
1 1 1 -8  -35 20 o 150.487 8.9320  2812.84    324.684  0.0000     0.0000   2812.84    324.684  ?       ?       150.487 8.9320  0.000000       8.931957 
1 1 1 -8  -35 21 o 140.815 8.7428  2461.31    297.245  0.0000     0.0000   2461.31    297.245  ?       ?       140.815 8.7428  0.000000       8.742834 
1 1 1 -8  -35 22 o 107.174 8.2247  1425.38    212.252  0.0000     0.0000   1425.38    212.252  ?       ?       107.174 8.2247  0.000000       8.224723 
1 1 1 -8  -35 23 o 152.164 6.1184  2835.95    225.900  3154.31    310.918  2479.98    328.770  159.733 8.0479  140.989 9.6689  18.74417       12.58002 
1 1 1 -8  -35 24 o 122.223 5.5333  1826.71    164.097  1648.93    221.373  2043.53    244.479  115.380 7.9560  128.526 7.8775  -13.14594      11.19609 
1 1 1 -8  -35 25 o 74.639  5.3746  684.466    96.685   708.618    127.466  651.745    148.367  75.622  7.0271  72.101  8.6535  3.520782       11.14738 
1 1 1 -8  -35 26 o 79.579  3.6875  771.121    71.202   795.886    102.092  747.667    99.354   80.528  5.2537  78.036  5.2782  2.492271       7.447226 
1 1 1 -8  -35 27 o 105.734 3.8098  1361.79    97.742   1275.06    139.182  1446.18    137.293  101.915 5.6505  108.773 5.2019  -6.858391      7.680338 
1 1 1 -8  -35 28 o 60.455  3.8440  447.054    56.094   423.951    80.963   468.384    77.791   58.560  5.7731  61.674  5.2482  -3.114338      7.802114 
1 1 1 -8  -35 29 o 77.420  3.7171  730.166    69.827   702.725    99.199   757.115    98.307   75.584  5.4455  78.516  5.1894  -2.932457      7.522155 
1 1 1 -8  -35 30 o 23.236  6.1488  68.627     35.206   30.275     51.689   101.815    48.084   19.579  7.6004  28.207  7.0461  -8.628090      10.36407 
1 1 1 -8  -35 31 o 166.301 4.4545  3376.92    179.744  3412.75    255.379  3341.75    253.029  166.640 6.3160  164.895 6.3241  1.745178       8.937892 
1 1 1 -8  -35 32 o 51.185  4.1742  321.835    51.390   267.964    74.168   371.579    71.271   46.155  6.8288  54.805  5.4311  -8.649670      8.725216 
1 1 1 -8  -35 33 o 92.501  3.5195  1042.74    78.993   1162.07    122.410  957.585    103.405  97.256  5.2061  88.337  4.8428  8.919189       7.110256 
1 1 1 -8  -35 34 o 72.304  4.2817  640.933    74.784   708.495    95.909   536.151    119.441  75.842  5.2440  65.320  7.6829  10.52222       9.301969 
1 1 1 -8  -35 35 o 214.007 5.9437  5637.07    308.637  5727.53    383.218  5470.06    520.681  214.906 7.3491  207.834 10.325  7.072296       12.67342 
1 1 1 -8  -35 36 o 56.558  3.6371  391.920    49.649   359.205    80.113   412.319    63.261   53.606  6.2781  57.863  4.5423  -4.257015      7.749019 
1 1 1 -8  -35 37 o 57.428  3.6582  404.222    50.710   379.138    81.914   419.808    64.570   55.070  6.2404  58.361  4.5970  -3.290596      7.750794 
1 1 1 -8  -35 38 o 31.643  4.7709  125.499    35.492   79.558     61.020   148.987    43.632   25.629  8.4540  34.397  5.4062  -8.767262      10.03480 
1 1 1 -8  -35 39 o 124.477 3.8362  1894.49    115.867  2006.21    176.641  1810.13    153.505  127.495 5.7100  121.275 5.2166  6.219810       7.734118 
1 1 1 -8  -35 40 o 58.457  3.7090  419.440    52.337   449.286    86.757   402.364    65.623   59.954  6.0463  57.029  4.7867  2.925705       7.711665 
1 1 1 -8  -35 41 o 60.350  5.5708  453.648    80.654   447.161    129.632  457.745    103.024  58.546  9.4469  60.110  7.2073  -1.563778      11.88227 
1 1 1 -8  -35 42 o 73.692  5.3936  674.291    95.772   640.561    149.310  697.869    124.836  70.437  8.9374  74.406  6.9967  -3.969353      11.35036 
1 1 1 -8  -35 43 o 78.876  5.4371  772.959    103.423  759.655    162.600  781.998    134.029  76.716  8.9006  78.699  7.0951  -1.983376      11.38251 
1 1 1 -8  -35 44 o 13.973  5.6615  10.650     29.861   9.0093     55.591   11.315     35.401   17.971  7.5437  15.039  6.1376  2.931377       9.725160 
1 1 1 -8  -35 45 o 35.403  4.9234  157.475    41.149   115.196    73.140   177.055    49.773   29.809  9.1953  37.386  5.6642  -7.577358      10.79988 
1 1 1 -8  -35 46 o 77.452  3.7398  735.216    70.282   684.305    113.486  766.892    89.514   73.754  6.4051  78.738  4.7069  -4.983704      7.948597 
1 1 1 -8  -35 47 o 38.530  4.6607  185.569    42.686   125.455    73.612   216.025    52.395   30.875  9.1634  41.437  5.3351  -10.56181      10.60336 
1 1 1 -8  -35 48 o 102.341 3.8574  1285.47    95.787   1246.95    153.049  1310.27    122.814  99.632  6.3642  102.955 4.9163  -3.322952      8.041898 
1 1 1 -8  -35 49 o 78.638  5.3512  771.119    101.499  786.580    171.860  762.838    125.777  77.364  9.3446  77.602  6.7470  -0.2379150     11.52580 
1 1 1 -8  -35 50 o 16.613  7.0247  5.7302     48.774   136.047    91.599   -45.8397   57.622   32.090  10.344  14.607  6.7807  17.48298       12.36803 
1 1 1 -8  -35 51 o 10.927  5.1088  -31.6370   33.661   -8.1863    57.884   -43.6190   41.376   16.898  7.4000  11.809  5.5661  5.088807       9.259663 
1 1 1 -8  -35 52 o 49.482  4.5400  305.483    53.901   229.296    92.440   344.733    66.348   40.970  9.4859  52.339  5.2974  -11.36876      10.86482 
1 1 1 -8  -35 53 o 30.620  5.9082  121.550    42.306   237.628    71.664   59.459     52.413   42.614  7.1865  22.370  7.8286  20.24347       10.62701 
1 1 1 -8  -35 54 o 12.774  5.6213  -7.2745    33.763   14.663     64.374   -15.5990   39.655   19.309  8.1123  13.246  5.9436  6.062929       10.05664 
1 1 1 -8  -35 55 o 36.357  5.3817  169.154    46.042   112.385    82.725   194.631    55.418   29.131  9.8480  38.788  6.0889  -9.657187      11.57833 
1 1 1 -8  -35 56 o 24.402  7.1618  78.807     45.178   120.676    75.421   55.377     56.421   29.725  9.3654  22.052  8.0735  7.673737       12.36493 
1 1 1 -8  -35 57 o 15.066  6.5158  -0.9235    43.712   33.911     79.953   -15.7755   52.206   22.193  9.1594  15.327  6.8527  6.865778       11.43909 
1 1 1 -8  -35 58 o 26.787  7.4010  96.888     49.700   66.334     94.145   108.693    58.519   25.570  10.157  28.217  8.1138  -2.646235      12.99985 
1 1 1 -8  -35 59 o 16.057  7.1243  -11.4993   55.325   42.353     98.231   -36.5179   66.954   24.223  10.087  16.261  7.4619  7.962509       12.54731 
1 1 1 -8  -35 60 o 19.051  7.8741  21.675     59.215   -93.5267   105.437  74.751     71.567   18.598  8.8019  24.829  9.0924  -6.231058      12.65489 
1 1 1 -8  -35 61 o 27.400  7.5939  101.846    52.235   109.318    102.626  99.233     60.683   29.179  10.852  27.063  8.3803  2.115644       13.71103 
1 1 1 -8  -35 62 o 23.726  7.7242  73.360     51.001   86.129     102.282  69.135     58.837   27.447  10.681  23.580  8.2921  3.866472       13.52216 
1 1 1 -8  -35 63 o 38.389  6.9503  196.144    62.356   82.680     120.022  238.094    72.979   28.092  11.361  42.151  7.4057  -14.05969      13.56182 
1 1 1 -8  -35 64 o 22.713  9.3568  39.634     83.244   99.605     226.775  30.294     89.492   33.186  14.587  22.630  9.5392  10.55627       17.42916 
1 1 1 -8  -35 65 o 33.126  10.587  161.576    96.111   179.105    240.020  158.229    104.887  35.870  15.388  32.768  11.089  3.102119       18.96727 
1 1 1 -8  -34 1  o 68.079  4.1340  569.628    67.964   494.480    98.541   637.809    93.862   62.781  6.5660  71.728  5.4334  -8.946976      8.522555 
1 1 1 -8  -34 2  o 55.339  4.3704  377.462    58.207   395.755    83.466   360.143    81.213   56.233  6.2215  53.572  6.3727  2.660774       8.906073 
1 1 1 -8  -34 3  o 65.160  4.1258  521.353    64.895   547.215    93.419   497.235    90.215   66.368  5.8614  63.218  5.9513  3.150139       8.353055 
1 1 1 -8  -34 4  o 60.901  4.2018  455.610    61.711   505.121    87.644   406.930    86.905   63.816  5.7208  57.063  6.3862  6.753738       8.573875 
1 1 1 -8  -34 5  o 88.706  3.9498  960.813    85.015   948.038    123.360  972.369    117.324  87.596  5.8374  88.815  5.4709  -1.218391      8.000374 
1 1 1 -8  -34 6  f 80.137  3.8949  783.665    75.734   763.930    111.267  800.700    103.377  78.622  5.8750  80.634  5.3136  -2.011963      7.921481 
1 1 1 -8  -34 7  o 71.014  3.9420  617.072    67.657   657.311    98.764   581.493    92.870   72.987  5.6201  68.622  5.6271  4.364983       7.952953 
1 1 1 -8  -34 8  o 142.385 6.1033  2490.05    210.859  2490.05    210.859  0.0000     0.0000   142.385 6.1033  ?       ?       0.000000       6.103308 
1 1 1 -8  -34 9  o 105.455 5.7817  1367.16    147.376  1367.16    147.376  0.0000     0.0000   105.455 5.7817  ?       ?       0.000000       5.781715 
1 1 1 -8  -34 10 o 103.154 5.6819  1306.94    141.666  1306.94    141.666  0.0000     0.0000   103.154 5.6819  ?       ?       0.000000       5.681912 
1 1 1 -8  -34 11 o 135.972 4.1524  2253.68    136.998  2203.60    197.008  2300.56    190.637  134.096 6.0549  137.086 5.7313  -2.989807      8.337199 
1 1 1 -8  -34 12 o 14.006  5.6054  11.623     28.884   11.726     46.513   11.558     36.851   17.051  7.0057  15.440  6.2772  1.611126       9.406536 
1 1 1 -8  -34 13 o 74.901  3.7754  684.758    68.394   695.661    101.869  675.810    92.287   75.224  5.6218  74.215  5.1569  1.008675       7.628786 
1 1 1 -8  -34 14 o 58.311  3.8862  415.808    54.670   453.281    83.253   387.398    72.489   60.625  5.7274  56.061  5.3957  4.564251       7.868740 
1 1 1 -8  -34 15 o 84.576  3.8208  870.722    78.408   866.930    117.142  873.800    105.536  84.016  5.7814  84.452  5.1752  -0.4354782     7.759374 
1 1 1 -8  -34 16 o 115.439 3.9347  1622.32    110.211  1732.17    161.229  1525.98    150.996  119.076 5.5803  111.766 5.5679  7.309509       7.882976 
1 1 1 -8  -34 17 o 121.812 3.9760  1806.37    117.517  1850.89    171.795  1767.21    161.107  123.073 5.7529  120.293 5.5196  2.780029       7.972578 
1 1 1 -8  -34 18 o 55.494  4.8533  378.327    64.693   464.979    88.097   276.910    95.307   61.387  5.9909  46.670  8.7375  14.71712       10.59403 
1 1 1 -8  -34 19 o 83.297  6.9377  856.040    138.944  0.0000     0.0000   856.040    138.944  ?       ?       83.297  6.9377  0.000000       6.937674 
1 1 1 -8  -34 20 o 137.910 5.7360  2323.36    191.941  0.0000     0.0000   2323.36    191.941  ?       ?       137.910 5.7360  0.000000       5.735995 
1 1 1 -8  -34 21 o 135.113 8.4897  2256.65    276.910  0.0000     0.0000   2256.65    276.910  ?       ?       135.113 8.4897  0.000000       8.489686 
1 1 1 -8  -34 22 o 145.759 5.9548  2596.73    210.603  2782.56    289.974  2389.29    306.377  150.239 7.9832  138.835 9.1460  11.40321       12.14001 
1 1 1 -8  -34 23 o 90.305  5.2474  998.420    114.483  990.205    153.428  1008.74    171.958  89.591  7.1165  90.252  7.9329  -0.6609192     10.65718 
1 1 1 -8  -34 24 o 65.032  5.3175  519.573    83.174   516.824    109.220  523.370    128.330  64.547  7.0905  64.684  8.3730  -0.1370621     10.97189 
1 1 1 -8  -34 25 o 129.694 5.6357  2054.76    177.348  1930.50    241.119  2201.22    261.769  125.036 7.9893  133.510 8.1191  -8.474014      11.39074 
1 1 1 -8  -34 26 o 118.076 5.5175  1702.90    158.077  1641.76    214.163  1776.07    234.300  115.324 7.6977  119.859 8.1039  -4.535164      11.17713 
1 1 1 -8  -34 27 o 83.220  3.7012  842.851    74.737   837.471    106.622  848.048    104.789  82.645  5.3456  83.188  5.2179  -0.5425797     7.470083 
1 1 1 -8  -34 28 f 60.587  3.8808  448.747    56.752   459.363    81.864   438.924    78.746   61.058  5.5876  59.688  5.4990  1.370434       7.839688 
1 1 1 -8  -34 29 o 82.022  3.7182  818.992    74.000   890.033    105.687  750.668    103.646  85.223  5.1349  78.180  5.4988  7.042564       7.523566 
1 1 1 -8  -34 30 o 11.265  5.0908  -16.2466   29.687   -31.4678   43.952   -3.4772    40.257   13.191  6.0504  14.585  6.2804  -1.394499      8.720658 
1 1 1 -8  -34 31 o 134.423 4.0832  2202.19    133.180  2174.12    189.561  2229.56    187.151  133.242 5.8633  134.962 5.7150  -1.719559      8.187801 
1 1 1 -8  -34 32 o 94.515  3.4962  1087.62    80.180   1220.52    122.451  987.870    106.085  99.803  5.0733  89.796  4.8873  10.00726       7.044437 
1 1 1 -8  -34 33 o 101.147 3.5492  1246.01    87.107   1417.90    132.896  1116.54    115.337  107.679 5.0865  95.439  4.9980  12.24009       7.131054 
1 1 1 -8  -34 34 o 141.736 3.9925  2450.00    137.306  2460.69    204.583  2441.25    185.217  141.592 5.9548  141.175 5.4070  0.4173279      8.043367 
1 1 1 -8  -34 35 o 68.983  3.4948  581.282    58.305   691.678    92.232   507.801    75.248   74.994  5.0989  64.249  4.8628  10.74484       7.046000 
1 1 1 -8  -34 36 o 71.226  3.5294  618.381    60.997   564.472    96.184   654.647    78.889   67.513  5.9318  73.047  4.4725  -5.534492      7.428909 
1 1 1 -8  -34 37 o 81.590  3.5488  811.777    70.255   769.789    110.715  840.081    90.901   78.906  5.8239  82.744  4.5450  -3.837730      7.387490 
1 1 1 -8  -34 38 o 55.037  3.6725  371.278    48.761   485.413    79.704   303.008    61.643   62.655  5.2923  49.416  5.2201  13.23899       7.433506 
1 1 1 -8  -34 39 o 60.443  3.6292  447.560    52.979   520.574    86.155   403.163    67.183   64.813  5.5314  57.122  4.8945  7.690895       7.385986 
1 1 1 -8  -34 40 o 40.213  4.2660  200.152    40.990   283.694    71.146   158.645    50.149   47.485  6.3327  35.363  6.0627  12.12195       8.766948 
1 1 1 -8  -34 41 o 60.260  4.6099  448.109    66.892   452.931    88.504   441.684    102.157  60.196  6.1456  59.092  7.2787  1.104332       9.526172 
1 1 1 -8  -34 42 o 25.397  7.5681  82.060     50.136   5.3747     87.789   119.177    61.076   21.886  9.3455  30.250  8.1416  -8.363249      12.39446 
1 1 1 -8  -34 43 o 104.513 5.5593  1353.68    140.473  1267.08    215.302  1417.86    185.360  99.415  9.0238  106.204 7.2361  -6.788887      11.56679 
1 1 1 -8  -34 44 o 50.938  5.9415  325.921    72.056   322.095    118.789  328.148    90.634   49.096  10.300  50.578  7.6219  -1.481922      12.81359 
1 1 1 -8  -34 45 o 89.250  3.7196  975.284    80.551   941.285    128.568  997.254    103.349  86.797  6.1444  89.869  4.7564  -3.071892      7.770283 
1 1 1 -8  -34 46 o 62.399  3.7883  478.731    57.086   460.192    93.680   489.682    71.997   60.402  6.4939  62.874  4.7545  -2.471481      8.048341 
1 1 1 -8  -34 47 o 47.870  4.2582  283.703    48.944   307.925    80.927   269.735    61.457   49.101  6.9901  46.334  5.5785  2.766090       8.943213 
1 1 1 -8  -34 48 o 58.352  4.1335  420.264    58.146   352.384    93.814   462.608    74.094   52.321  7.6129  60.985  5.0527  -8.664246      9.137084 
1 1 1 -8  -34 49 o 121.207 5.5637  1824.53    163.628  1947.42    261.782  1745.73    209.623  122.813 8.8440  117.319 7.4018  5.494736       11.53270 
1 1 1 -8  -34 50 o 52.834  5.8397  351.803    73.612   406.083    125.895  323.606    90.739   55.128  9.7694  49.956  7.7359  5.171772       12.46140 
1 1 1 -8  -34 51 o 51.788  6.2860  340.748    77.370   395.949    134.522  313.462    94.579   53.830  10.676  48.859  8.2732  4.971531       13.50653 
1 1 1 -8  -34 52 o 93.167  4.0144  1068.67    90.749   1062.05    147.120  1072.73    115.296  91.496  6.6729  92.780  5.1416  -1.283920      8.423982 
1 1 1 -8  -34 53 o 34.444  5.4735  151.489    44.214   236.463    81.276   115.772    52.693   42.146  8.2431  29.549  7.3732  12.59692       11.05947 
1 1 1 -8  -34 54 o 68.098  4.0063  574.065    65.907   664.980    112.880  527.042    81.181   72.173  6.5161  64.794  5.2076  7.378952       8.341413 
1 1 1 -8  -34 55 o 26.920  6.3986  95.447     41.180   66.422     79.457   106.107    48.152   24.916  9.4869  28.254  7.0473  -3.338270      11.81806 
1 1 1 -8  -34 56 o 63.905  4.2531  508.391    65.571   459.863    115.004  531.766    79.815   58.732  8.3014  65.006  5.1011  -6.274689      9.743472 
1 1 1 -8  -34 57 o 20.261  7.3150  46.765     46.085   -45.1082   88.274   81.187     54.033   18.669  8.5673  24.892  7.9360  -6.222477      11.67814 
1 1 1 -8  -34 58 o 19.169  7.3579  35.760     48.038   -58.8955   90.140   73.308     56.772   18.247  8.4739  24.011  8.1581  -5.764223      11.76273 
1 1 1 -8  -34 59 o 17.471  7.1289  19.426     47.751   31.823     92.157   14.876     55.829   23.132  9.7117  18.117  7.5797  5.014984       12.31945 
1 1 1 -8  -34 60 f 28.087  9.0614  106.916    70.286   52.976     117.016  137.361    87.911   26.290  10.984  31.333  10.137  -5.043369      14.94663 
1 1 1 -8  -34 61 o 20.816  8.2049  39.413     60.997   -29.4496   109.562  70.346     73.430   21.552  9.7559  24.596  9.1731  -3.044521      13.39116 
1 1 1 -8  -34 62 o 33.214  7.3445  148.536    57.619   109.446    106.655  164.646    68.470   29.449  11.041  34.629  8.2639  -5.179762      13.79114 
1 1 1 -8  -34 63 o 18.463  7.3461  27.744     49.325   79.961     102.271  11.916     56.307   27.054  10.637  17.931  7.5630  9.123049       13.05142 
1 1 1 -8  -34 64 f 49.655  8.9683  341.204    104.076  348.218    251.990  339.762    114.278  43.994  16.860  48.854  9.9778  -4.859245      19.59150 
1 1 1 -8  -34 65 o 59.964  18.755  730.138    303.078  730.138    303.078  0.0000     0.0000   59.964  18.755  ?       ?       0.000000       18.75490 
1 1 1 -8  -33 1  o 57.957  6.8537  421.721    94.517   479.838    181.222  400.005    110.777  59.661  12.895  55.953  8.4203  3.707142       15.40062 
1 1 1 -8  -33 2  o 86.407  5.9833  923.753    124.672  953.272    218.185  909.442    151.916  86.020  10.684  85.290  7.4145  0.7299194      13.00438 
1 1 1 -8  -33 3  o 103.119 5.9464  1312.08    148.152  1497.47    248.684  1210.08    184.459  108.816 9.5143  98.423  7.7875  10.39291       12.29503 
1 1 1 -8  -33 4  o 25.648  9.0519  72.854     70.173   299.528    142.286  0.0001     80.665   47.535  12.257  20.892  8.9404  26.64301       15.17141 
1 1 1 -8  -33 5  o 37.028  8.0251  176.177    70.020   156.983    148.320  181.681    79.428   36.994  13.149  37.484  8.8711  -0.4898720     15.86156 
1 1 1 -8  -33 6  o 105.074 4.6935  1348.48    119.661  1662.50    247.283  1252.47    136.737  115.349 8.9041  100.969 5.6033  14.37998       10.52042 
1 1 1 -8  -33 7  o 205.689 11.211  5330.14    557.435  5330.14    557.435  0.0000     0.0000   205.689 11.211  ?       ?       0.000000       11.21145 
1 1 1 -8  -33 8  o 126.335 5.8416  1953.81    179.068  1953.81    179.068  0.0000     0.0000   126.335 5.8416  ?       ?       0.000000       5.841583 
1 1 1 -8  -33 9  o 48.351  6.5638  291.714    75.015   291.714    75.015   0.0000     0.0000   48.351  6.5638  ?       ?       0.000000       6.563767 
1 1 1 -8  -33 10 o 41.481  4.9059  212.791    48.421   200.936    69.070   224.248    67.901   39.824  7.4209  42.239  6.8605  -2.415279      10.10624 
1 1 1 -8  -33 11 o 224.943 5.3050  6176.67    289.551  6477.51    413.617  5887.54    405.478  229.683 7.4217  218.898 7.6342  10.78516       10.64721 
1 1 1 -8  -33 12 o 141.833 4.1556  2449.40    143.014  2570.24    206.867  2338.77    197.932  145.029 5.8786  138.341 5.8966  6.687622       8.326342 
1 1 1 -8  -33 13 o 96.786  3.7896  1139.77    88.997   1147.52    131.266  1133.17    121.072  96.788  5.6135  96.244  5.2038  0.5438614      7.654477 
1 1 1 -8  -33 14 o 168.160 4.4402  3443.90    181.173  3617.44    260.411  3281.10    252.221  172.024 6.2389  163.810 6.3457  8.213684       8.898928 
1 1 1 -8  -33 15 o 94.853  3.7506  1094.45    86.322   1129.91    126.832  1063.86    117.821  96.081  5.4629  93.256  5.2280  2.824409       7.561448 
1 1 1 -8  -33 16 o 142.003 4.1398  2454.24    142.640  2645.53    206.220  2278.76    197.508  147.212 5.7733  136.600 5.9590  10.61256       8.296987 
1 1 1 -8  -33 17 o 50.153  4.1419  308.185    49.953   353.519    76.301   274.180    66.083   53.479  5.9826  47.024  5.9231  6.454735       8.418688 
1 1 1 -8  -33 18 o 209.812 9.8802  5435.01    502.991  0.0000     0.0000   5435.01    502.991  ?       ?       209.812 9.8802  0.000000       9.880216 
1 1 1 -8  -33 19 o 172.787 8.7875  3681.33    367.203  0.0000     0.0000   3681.33    367.203  ?       ?       172.787 8.7875  0.000000       8.787481 
1 1 1 -8  -33 20 o 48.732  5.7032  293.669    66.161   0.0000     0.0000   293.669    66.161   ?       ?       48.732  5.7032  0.000000       5.703213 
1 1 1 -8  -33 21 o 51.502  4.3207  325.119    53.495   305.162    85.113   338.151    68.777   49.398  7.3229  52.371  5.4942  -2.973213      9.154849 
1 1 1 -8  -33 22 o 178.704 4.5763  3888.92    198.432  3745.66    281.454  4030.51    279.803  175.023 6.6275  181.614 6.3495  -6.591339      9.178207 
1 1 1 -8  -33 23 o 219.312 7.2716  5890.92    386.949  5573.90    536.367  6235.00    558.778  212.277 10.413  224.578 10.254  -12.30148      14.61479 
1 1 1 -8  -33 24 o 46.472  6.2262  268.463    68.441   277.453    88.581   255.147    107.807  46.902  8.0751  44.576  10.189  2.325455       13.00124 
1 1 1 -8  -33 25 o 144.894 5.8676  2563.32    206.288  2516.56    282.355  2616.84    302.117  142.916 8.1763  145.630 8.5879  -2.713791      11.85766 
1 1 1 -8  -33 26 o 89.074  5.3105  971.093    114.254  980.254    154.217  959.946    170.108  89.172  7.1886  88.060  8.0504  1.112480       10.79278 
1 1 1 -8  -33 27 o 175.806 6.4178  3779.73    273.768  3489.70    377.626  4101.04    397.468  167.950 9.3028  182.435 8.9791  -14.48418      12.92927 
1 1 1 -8  -33 28 f 89.333  5.3698  977.232    115.854  1002.58    154.453  944.621    175.185  90.177  7.1167  87.243  8.3787  2.934006       10.99313 
1 1 1 -8  -33 29 o 149.623 4.2021  2725.98    152.555  2695.25    216.873  2756.07    214.635  148.492 6.0192  150.182 5.8900  -1.690170      8.421612 
1 1 1 -8  -33 30 o 220.904 5.2165  5955.36    279.607  5850.05    396.914  6059.10    393.950  218.260 7.4948  222.191 7.3072  -3.931747      10.46741 
1 1 1 -8  -33 31 o 52.067  4.0671  332.139    50.974   311.040    73.619   351.571    70.650   50.043  6.1954  53.363  5.5370  -3.320858      8.309065 
1 1 1 -8  -33 32 o 31.923  4.7165  126.950    35.433   100.823    60.073   140.889    43.878   28.312  8.2440  33.509  5.5938  -5.197618      9.962632 
1 1 1 -8  -33 33 o 116.858 3.6814  1662.60    104.384  1849.18    157.774  1517.36    139.206  123.009 5.2861  111.449 5.1478  11.56081       7.378487 
1 1 1 -8  -33 34 o 196.572 4.7684  4717.91    227.437  4630.92    332.649  4794.27    311.663  194.015 7.0662  197.618 6.4997  -3.602936      9.600918 
1 1 1 -8  -33 35 o 90.282  3.5207  992.580    77.126   1087.74    119.191  924.032    101.158  94.155  5.2379  86.836  4.8200  7.319374       7.118135 
1 1 1 -8  -33 36 o 39.391  4.0909  191.286    38.530   158.743    63.130   210.604    48.639   35.186  7.6154  41.208  4.9645  -6.022293      9.090700 
1 1 1 -8  -33 37 o 30.966  4.8077  119.996    34.952   116.455    58.489   121.962    43.591   30.105  7.9057  30.996  6.0130  -0.8908615     9.932612 
1 1 1 -8  -33 38 o 91.798  3.5602  1027.36    79.300   1082.50    123.453  988.624    103.468  93.771  5.4494  89.755  4.7681  4.016235       7.240875 
1 1 1 -8  -33 39 o 79.186  3.5539  764.740    68.284   796.126    107.112  743.252    88.628   80.312  5.5303  77.771  4.7190  2.541512       7.270005 
1 1 1 -8  -33 40 o 53.497  3.7696  351.146    48.619   316.095    79.363   372.203    61.513   50.123  6.6927  54.928  4.6593  -4.805153      8.154821 
1 1 1 -8  -33 41 o 19.354  6.0067  46.091     31.157   107.045    57.831   21.163     36.983   28.816  7.9917  16.484  6.4205  12.33205       10.25140 
1 1 1 -8  -33 42 o 32.634  7.2340  137.680    55.778   112.761    95.211   150.700    68.825   30.661  10.561  33.972  8.3974  -3.310429      13.49292 
1 1 1 -8  -33 43 o 53.943  5.7630  363.406    74.263   290.260    120.909  407.717    94.106   46.541  10.899  56.815  6.9727  -10.27409      12.93825 
1 1 1 -8  -33 44 o 92.571  5.4442  1061.35    121.748  1142.88    188.972  1003.50    159.188  94.826  8.2966  89.226  7.4201  5.599876       11.13061 
1 1 1 -8  -33 45 o 93.550  4.1539  1073.17    94.289   994.937    191.400  1098.23    108.349  87.923  9.1037  94.370  4.7470  -6.447235      10.26694 
1 1 1 -8  -33 46 o 45.145  4.3183  252.445    46.726   234.076    78.085   262.691    58.320   42.477  7.8659  45.817  5.3466  -3.340092      9.510914 
1 1 1 -8  -33 47 o 100.992 3.9333  1250.18    96.385   1044.77    151.920  1388.55    124.695  91.114  6.9236  106.155 4.8411  -15.04134      8.448205 
1 1 1 -8  -33 48 o 89.082  3.8407  972.535    83.017   989.861    133.226  961.536    106.144  88.953  6.2116  88.141  4.9835  0.8117981      7.963604 
1 1 1 -8  -33 49 o 29.773  6.0279  114.072    42.053   209.020    71.633   64.140     51.947   40.079  7.6449  23.122  7.8039  16.95737       10.92458 
1 1 1 -8  -33 50 o 58.527  5.8983  430.408    82.620   269.773    144.948  507.713    100.553  43.840  12.817  63.334  6.6422  -19.49375      14.43600 
1 1 1 -8  -33 51 o 33.036  7.8249  144.059    61.758   100.768    112.673  162.650    73.838   30.141  11.339  34.908  8.7379  -4.767218      14.31501 
1 1 1 -8  -33 52 o 91.689  3.9379  1033.49    87.608   941.474    143.758  1087.85    110.497  86.089  6.9411  93.622  4.8811  -7.533836      8.485485 
1 1 1 -8  -33 53 o 67.864  4.0569  569.171    66.497   556.081    114.822  575.777    81.568   65.749  7.3217  67.946  4.9823  -2.196777      8.856106 
1 1 1 -8  -33 54 o 43.207  4.8668  234.516    50.134   157.158    94.973   264.398    59.028   33.899  10.482  45.727  5.4259  -11.82838      11.80292 
1 1 1 -8  -33 55 o 86.328  4.0791  920.199    85.443   1021.62    147.012  868.465    104.997  89.343  6.8334  83.254  5.2242  6.088936       8.601588 
1 1 1 -8  -33 56 o 24.129  6.7726  76.548     41.273   59.630     86.937   81.470     46.894   24.912  9.8030  24.878  7.2951  0.3376770E-01  12.21952 
1 1 1 -8  -33 57 o 29.178  7.5149  114.400    53.528   140.984    108.526  105.854    61.534   32.248  11.266  28.051  8.3901  4.197676       14.04705 
1 1 1 -8  -33 58 o 55.806  5.1908  393.887    69.482   280.557    134.156  435.431    81.225   43.265  12.234  58.406  5.8086  -15.14051      13.54272 
1 1 1 -8  -33 59 o 27.713  7.7829  103.799    54.489   173.629    114.666  83.432     61.928   34.748  11.595  25.382  8.5210  9.366760       14.38934 
1 1 1 -8  -33 60 o 44.957  8.0318  272.362    84.399   384.383    157.497  227.234    99.964   50.076  12.887  39.816  10.277  10.25933       16.48322 
1 1 1 -8  -33 61 o 26.749  9.0345  93.782     69.622   89.560     138.592  95.208     80.519   29.718  12.138  27.285  9.6892  2.433414       15.53092 
1 1 1 -8  -33 62 o 30.231  7.8746  124.242    58.337   302.788    125.142  74.669     65.940   45.423  11.378  24.640  8.7663  20.78263       14.36377 
1 1 1 -8  -33 63 o 22.438  7.7953  61.878     51.923   126.206    118.557  46.611     57.757   31.155  11.649  21.228  8.0870  9.927132       14.18053 
1 1 1 -8  -33 64 o 41.661  9.9459  247.464    99.148   423.241    243.648  212.580    108.542  48.415  16.883  38.028  11.084  10.38705       20.19583 
1 1 1 -8  -33 65 o 59.879  19.039  725.051    311.136  725.051    311.136  0.0000     0.0000   59.879  19.039  ?       ?       0.000000       19.03859 
1 1 1 -8  -32 1  o 209.960 7.4711  5460.52    380.614  5609.74    578.287  5346.48    505.553  209.694 11.409  205.999 10.114  3.694351       15.24647 
1 1 1 -8  -32 2  o 183.301 6.9341  4143.67    308.402  4161.83    473.538  4130.29    406.411  181.322 10.812  181.643 9.2517  -0.3204193     14.23027 
1 1 1 -8  -32 3  o 29.266  8.7888  107.654    67.421   43.580     140.352  126.875    76.872   29.562  12.161  31.638  9.3582  -2.075148      15.34453 
1 1 1 -8  -32 4  o 42.853  7.7349  233.229    77.466   228.853    151.762  234.770    90.086   42.377  13.274  42.736  8.9734  -0.3584824     16.02274 
1 1 1 -8  -32 5  o 165.080 6.4946  3342.91    260.140  3469.28    403.182  3252.78    340.497  166.636 10.018  161.915 8.6988  4.721024       13.26777 
1 1 1 -8  -32 6  o 69.270  11.781  616.717    190.919  616.717    190.919  0.0000     0.0000   69.270  11.781  ?       ?       0.000000       11.78083 
1 1 1 -8  -32 7  o 77.631  10.771  763.246    197.415  763.246    197.415  0.0000     0.0000   77.631  10.771  ?       ?       0.000000       10.77073 
1 1 1 -8  -32 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -8  -32 9  o 137.583 6.1516  2313.73    205.361  2100.97    319.561  2463.40    268.034  129.878 10.223  141.425 7.8416  -11.54657      12.88414 
1 1 1 -8  -32 10 o 87.609  5.6211  940.520    118.861  1082.57    204.392  867.935    146.107  93.302  9.1460  83.862  7.2516  9.439995       11.67197 
1 1 1 -8  -32 11 o 164.658 6.3765  3313.57    254.761  3405.92    388.501  3243.90    337.443  165.874 9.6949  162.213 8.6041  3.660995       12.96235 
1 1 1 -8  -32 12 f 140.294 5.9033  2402.46    200.953  2960.04    313.745  2014.60    261.671  155.033 8.3715  127.787 8.4875  27.24529       11.92141 
1 1 1 -8  -32 13 o 208.667 5.0061  5305.08    253.464  5504.27    361.873  5113.24    355.127  212.111 7.0312  204.406 7.1602  7.704727       10.03525 
1 1 1 -8  -32 14 o 159.575 4.3163  3098.90    167.124  3225.52    240.134  2979.97    232.737  162.554 6.0882  156.236 6.1393  6.318008       8.646254 
1 1 1 -8  -32 15 o 135.687 4.0478  2239.59    133.265  2402.19    192.585  2090.20    184.600  140.348 5.6552  130.898 5.8121  9.449905       8.109395 
1 1 1 -8  -32 16 o 129.079 3.9885  2026.52    124.918  2139.07    180.798  1923.71    172.796  132.448 5.6258  125.599 5.6700  6.849091       7.987418 
1 1 1 -8  -32 17 o 69.670  5.0923  594.427    85.488   0.0000     0.0000   594.427    85.488   ?       ?       69.670  5.0923  0.000000       5.092308 
1 1 1 -8  -32 18 o 230.293 7.4088  6489.81    413.991  0.0000     0.0000   6489.81    413.991  ?       ?       230.293 7.4088  0.000000       7.408774 
1 1 1 -8  -32 19 o 304.315 9.3084  11387.73   687.326  0.0000     0.0000   11387.73   687.326  ?       ?       304.315 9.3084  0.000000       9.308403 
1 1 1 -8  -32 20 o 81.080  3.7724  799.332    74.216   872.718    109.172  736.278    101.195  84.458  5.3550  77.539  5.4126  6.918610       7.613971 
1 1 1 -8  -32 21 o 310.679 6.6520  11791.11   501.452  11432.82   710.213  12147.29   708.111  304.788 9.6034  314.313 9.2849  -9.525146      13.35794 
1 1 1 -8  -32 22 o 205.165 4.9088  5126.04    244.367  5076.41    346.533  5175.13    344.649  203.771 7.0087  205.766 6.9030  -1.995438      9.837375 
1 1 1 -8  -32 23 o 78.653  3.6507  752.099    69.671   765.680    99.267   738.915    97.808   79.105  5.2007  77.702  5.2180  1.403198       7.367161 
1 1 1 -8  -32 24 o 129.701 3.9366  2045.95    123.889  2100.84    176.245  1992.34    174.184  131.271 5.5333  127.827 5.6159  3.444046       7.883907 
1 1 1 -8  -32 25 o 141.287 5.7879  2434.96    198.419  2289.67    271.715  2600.95    290.434  136.386 8.2495  145.388 8.2671  -9.001495      11.67902 
1 1 1 -8  -32 26 o 164.634 6.2248  3309.37    248.661  3363.91    342.726  3248.74    361.331  165.301 8.5744  162.255 9.2159  3.045609       12.58782 
1 1 1 -8  -32 27 o 215.225 7.2247  5669.36    377.291  5452.58    523.994  5902.75    543.692  210.132 10.277  218.644 10.248  -8.512863      14.51365 
1 1 1 -8  -32 28 o 142.862 5.8748  2490.99    203.646  2375.61    278.756  2623.04    298.226  138.861 8.3115  145.898 8.4606  -7.036682      11.86016 
1 1 1 -8  -32 29 o 157.070 6.1742  3013.64    235.310  3153.59    324.134  2857.69    342.153  160.008 8.3778  152.019 9.3209  7.988312       12.53268 
1 1 1 -8  -32 30 o 90.348  3.7303  992.891    81.775   954.692    116.540  1029.94    114.775  88.295  5.4666  91.764  5.1759  -3.469284      7.528201 
1 1 1 -8  -32 31 o 128.512 3.8196  2009.39    119.103  2089.89    178.178  1944.36    160.138  130.844 5.6122  126.257 5.2272  4.586411       7.669496 
1 1 1 -8  -32 32 o 39.869  4.1322  195.587    39.394   216.679    64.272   182.894    49.857   41.577  6.5908  38.319  5.5216  3.257599       8.598073 
1 1 1 -8  -32 33 o 96.128  3.6194  1124.34    84.421   1045.40    129.402  1182.83    111.390  92.302  5.8074  98.502  4.6606  -6.199867      7.446280 
1 1 1 -8  -32 34 o 72.200  3.4900  634.284    61.141   678.202    96.008   604.320    79.301   74.322  5.3598  70.239  4.6798  4.082603       7.115365 
1 1 1 -8  -32 35 o 152.733 4.1224  2842.64    152.772  2817.53    226.767  2863.50    206.727  151.644 6.1630  153.014 5.5680  -1.369980      8.305714 
1 1 1 -8  -32 36 o 34.673  4.6332  149.299    38.005   177.327    64.174   134.159    47.165   37.321  7.3482  32.551  6.1980  4.769890       9.613076 
1 1 1 -8  -32 37 o 24.452  5.7521  76.194     33.557   155.857    59.427   38.903     40.659   34.935  7.2482  19.232  6.8793  15.70245       9.993043 
1 1 1 -8  -32 38 f 181.408 4.5984  4021.13    202.408  3906.89    298.800  4118.00    275.156  178.014 6.9177  183.050 6.1950  -5.035675      9.286184 
1 1 1 -8  -32 39 o 200.458 4.8091  4916.84    233.913  5177.28    344.270  4693.52    318.803  204.765 6.9291  195.058 6.7359  9.707321       9.663584 
1 1 1 -8  -32 40 o 115.176 3.7964  1618.74    106.095  1634.08    162.995  1607.46    139.753  115.119 5.8546  114.524 5.0293  0.5956802      7.718121 
1 1 1 -8  -32 41 o 108.825 3.7282  1445.57    98.446   1565.86    152.755  1360.11    128.749  112.838 5.5793  105.295 5.0393  7.543037       7.518168 
1 1 1 -8  -32 42 o 65.558  3.6771  526.385    58.255   514.012    95.357   533.752    73.583   64.225  6.1959  65.835  4.6359  -1.609428      7.738280 
1 1 1 -8  -32 43 o 97.796  5.4447  1181.41    128.688  1160.80    197.775  1196.55    169.470  95.672  8.6119  97.780  7.1935  -2.107231      11.22104 
1 1 1 -8  -32 44 o 43.533  6.3295  239.502    64.899   261.085    108.044  227.319    81.176   44.318  10.251  41.838  8.2894  2.479538       13.18350 
1 1 1 -8  -32 45 f 21.046  7.5070  48.392     48.387   66.081     86.703   40.391     58.312   26.086  9.9155  21.189  8.1129  4.897118       12.81155 
1 1 1 -8  -32 46 o 33.790  5.3160  144.125    42.145   148.903    71.611   141.593    52.128   33.642  8.7059  33.151  6.7108  0.4907761      10.99214 
1 1 1 -8  -32 47 o 51.049  4.3047  322.052    52.823   244.619    86.883   367.460    66.533   43.231  8.5855  54.361  5.1038  -11.13066      9.988026 
1 1 1 -8  -32 48 o 96.979  3.8802  1152.22    91.304   1105.65    146.244  1181.96    116.883  93.994  6.4513  97.810  4.9410  -3.815437      8.126070 
1 1 1 -8  -32 49 o 88.163  3.9304  952.847    84.080   920.055    137.777  972.307    106.134  85.560  6.6898  88.658  4.9535  -3.097664      8.324084 
1 1 1 -8  -32 50 o 32.070  7.9487  135.274    61.542   116.230    111.213  143.680    73.885   31.392  11.359  32.926  8.9937  -1.534571      14.48835 
1 1 1 -8  -32 51 o 44.778  6.1547  254.395    65.102   337.386    126.924  224.765    75.839   49.786  10.816  41.502  7.8179  8.284409       13.34570 
1 1 1 -8  -32 52 o 47.035  6.0786  280.472    67.750   188.016    126.430  317.716    80.244   37.259  12.163  49.847  6.8129  -12.58744      13.94118 
1 1 1 -8  -32 53 o 17.479  6.5629  29.586     37.711   105.136    79.203   7.4375     42.884   28.768  9.6366  15.837  6.6358  12.93087       11.70030 
1 1 1 -8  -32 54 o 36.300  5.5901  167.983    47.657   305.629    91.834   117.253    55.751   48.175  8.1467  29.729  7.6758  18.44650       11.19317 
1 1 1 -8  -32 55 o 18.128  6.6357  34.734     38.111   34.093     78.271   34.933     43.633   22.385  9.1297  18.765  7.0567  3.619932       11.53901 
1 1 1 -8  -32 56 o 21.496  6.8258  58.473     40.004   32.505     85.529   65.745     45.260   22.901  9.4641  22.739  7.2646  0.1616039      11.93085 
1 1 1 -8  -32 57 o 12.161  5.5441  -20.9252   36.171   -53.2652   75.456   -11.2765   41.215   16.760  7.7729  13.863  6.1500  2.897230       9.911635 
1 1 1 -8  -32 58 o 74.135  4.5965  686.432    82.275   892.879    152.683  601.955    97.669   82.553  7.7118  68.762  5.9114  13.79103       9.716763 
1 1 1 -8  -32 59 o 69.370  4.7953  603.472    80.219   661.051    149.381  580.139    95.093   69.896  9.0184  67.469  5.8671  2.427322       10.75891 
1 1 1 -8  -32 60 o 18.661  7.9437  9.3874     63.077   122.661    129.842  -25.6021   72.164   31.417  12.088  17.628  7.9544  13.78839       14.47015 
1 1 1 -8  -32 61 o 24.463  8.9180  70.976     68.736   127.448    138.435  52.498     79.187   32.044  12.439  23.598  9.3336  8.446285       15.55102 
1 1 1 -8  -32 62 o 53.777  5.5784  368.129    71.731   398.286    141.535  357.705    83.209   52.366  11.458  52.479  6.6865  -0.1129532     13.26592 
1 1 1 -8  -32 63 f 41.569  6.6088  225.862    64.428   243.305    137.485  220.953    72.932   40.195  12.642  40.622  7.6806  -0.4277153     14.79195 
1 1 1 -8  -32 64 o 65.326  11.175  612.852    170.770  612.852    170.770  0.0000     0.0000   65.326  11.175  ?       ?       0.000000       11.17535 
1 1 1 -8  -32 65 o 49.370  18.382  478.744    294.625  478.744    294.625  0.0000     0.0000   49.370  18.382  ?       ?       0.000000       18.38190 
1 1 1 -8  -31 1  o 217.687 7.7706  5853.99    410.439  5331.28    618.514  6265.28    548.644  204.507 12.525  223.825 10.102  -19.31793      16.09131 
1 1 1 -8  -31 2  o 160.966 6.4937  3179.78    253.625  3260.49    395.370  3123.35    330.615  161.381 10.149  158.622 8.6224  2.758789       13.31691 
1 1 1 -8  -31 3  o 46.827  7.3659  275.886    80.929   505.982    155.430  190.304    94.792   62.928  10.553  38.424  10.052  24.50447       14.57436 
1 1 1 -8  -31 4  o 138.302 6.0289  2339.78    202.316  2620.95    322.265  2156.88    259.921  145.315 9.1871  132.098 8.1490  13.21707       12.28045 
1 1 1 -8  -31 5  o 176.892 10.472  3895.97    447.469  3895.97    447.469  0.0000     0.0000   176.892 10.472  ?       ?       0.000000       10.47197 
1 1 1 -8  -31 6  o 297.857 13.865  11166.44   1002.08  11166.44   1002.08  0.0000     0.0000   297.857 13.865  ?       ?       0.000000       13.86539 
1 1 1 -8  -31 7  o 301.285 13.923  11403.92   1017.85  11403.92   1017.85  0.0000     0.0000   301.285 13.923  ?       ?       0.000000       13.92328 
1 1 1 -8  -31 8  o 87.800  5.9214  945.148    125.412  913.623    208.150  963.114    157.135  85.425  10.247  88.378  7.3956  -2.953201      12.63678 
1 1 1 -8  -31 9  o 135.091 5.9476  2227.09    194.953  2272.65    307.836  2196.59    251.908  135.557 9.4176  133.660 7.8013  1.896484       12.22909 
1 1 1 -8  -31 10 o 212.722 7.1599  5535.01    369.558  6286.19    549.085  4912.94    499.671  225.815 10.021  199.266 10.370  26.54935       14.42110 
1 1 1 -8  -31 11 o 97.239  5.5586  1156.36    130.605  1355.89    218.250  1045.05    163.016  104.761 8.6637  92.138  7.3529  12.62288       11.36333 
1 1 1 -8  -31 12 o 118.654 5.6729  1716.38    163.323  1821.19    260.412  1648.41    209.688  121.480 8.8966  115.835 7.5008  5.645142       11.63669 
1 1 1 -8  -31 13 o 167.094 6.3557  3407.67    257.686  3623.74    390.245  3240.61    343.130  171.452 9.4167  162.288 8.7461  9.164413       12.85178 
1 1 1 -8  -31 14 o 22.266  7.8812  52.700     53.233   46.639     120.558  54.168     59.330   28.346  11.414  23.006  8.3009  5.339359       14.11303 
1 1 1 -8  -31 15 o 140.953 5.9422  2422.64    203.228  2423.66    313.398  2421.90    266.968  140.181 9.2661  140.451 7.8654  -0.2693481     12.15425 
1 1 1 -8  -31 16 o 172.217 6.2761  3618.43    262.260  0.0000     0.0000   3618.43    262.260  ?       ?       172.217 6.2761  0.000000       6.276127 
1 1 1 -8  -31 17 o 81.870  5.0126  819.095    99.096   0.0000     0.0000   819.095    99.096   ?       ?       81.870  5.0126  0.000000       5.012583 
1 1 1 -8  -31 18 o 222.605 7.3452  6057.46    396.737  0.0000     0.0000   6057.46    396.737  ?       ?       222.605 7.3452  0.000000       7.345189 
1 1 1 -8  -31 19 o 183.497 4.6375  4097.33    206.482  4335.18    294.847  3868.42    289.251  188.484 6.4470  178.007 6.6969  10.47659       9.295839 
1 1 1 -8  -31 20 o 171.024 4.4193  3558.25    183.389  3449.10    260.051  3666.23    258.657  168.133 6.3744  173.378 6.1485  -5.245743      8.856470 
1 1 1 -8  -31 21 o 226.388 5.2444  6241.89    288.081  6241.48    408.635  6242.29    406.192  225.938 7.4539  225.963 7.4085  -0.2525330E-01 10.50935 
1 1 1 -8  -31 22 o 88.326  3.6427  948.260    78.069   901.983    111.605  992.599    109.244  85.883  5.3829  90.154  5.0138  -4.271660      7.356191 
1 1 1 -8  -31 23 o 172.626 4.4547  3625.52    186.592  3598.62    265.145  3651.92    262.634  171.734 6.3630  173.018 6.2560  -1.283737      8.923326 
1 1 1 -8  -31 24 o 140.131 4.0487  2387.94    137.662  2356.41    195.921  2418.68    193.471  139.031 5.8077  140.873 5.6601  -1.842087      8.109639 
1 1 1 -8  -31 25 o 22.894  6.3375  65.865     36.403   40.834     54.024   86.682     49.268   21.049  7.8645  26.277  7.4080  -5.228666      10.80416 
1 1 1 -8  -31 26 o 161.241 6.1593  3171.81    240.975  3353.81    333.158  2972.12    348.973  165.216 8.3375  155.262 9.3062  9.954391       12.49475 
1 1 1 -8  -31 27 o 114.484 5.4773  1597.27    152.150  1547.30    208.221  1654.51    222.869  112.177 7.6965  115.961 7.9693  -3.783821      11.07906 
1 1 1 -8  -31 28 o 101.824 5.4727  1267.27    134.716  1240.95    182.600  1298.71    199.562  100.420 7.5493  102.640 8.0784  -2.220100      11.05677 
1 1 1 -8  -31 29 o 214.032 7.2372  5603.94    375.847  5418.07    522.439  5803.34    541.108  209.576 10.274  216.896 10.282  -7.320435      14.53498 
1 1 1 -8  -31 30 o 137.693 5.4430  2311.41    181.851  2102.84    269.888  2484.84    246.106  130.597 8.5644  142.520 7.1168  -11.92311      11.13543 
1 1 1 -8  -31 31 o 75.276  3.4947  688.901    63.831   692.287    99.541   686.535    83.186   75.146  5.4974  74.949  4.5964  0.1969528      7.165782 
1 1 1 -8  -31 32 o 276.620 6.0034  9343.93    402.942  9571.86    580.295  9131.71    559.943  279.034 8.5709  272.587 8.4659  6.447357       12.04710 
1 1 1 -8  -31 33 o 272.947 5.9070  9099.17    391.210  9422.07    564.149  8800.07    542.966  276.804 8.3996  267.526 8.3645  9.277588       11.85405 
1 1 1 -8  -31 34 o 161.366 4.2317  3170.80    165.687  3233.07    245.242  3118.51    224.734  162.596 6.2161  159.771 5.7970  2.824020       8.499764 
1 1 1 -8  -31 35 o 136.282 3.9174  2261.07    129.538  2285.86    193.854  2241.08    174.119  136.738 5.8428  135.484 5.2966  1.253571       7.886184 
1 1 1 -8  -31 36 o 38.047  4.2957  178.637    38.963   210.764    65.480   161.027    48.479   40.913  6.8374  35.845  5.7697  5.067860       8.946539 
1 1 1 -8  -31 37 o 142.245 4.0412  2465.61    139.480  2393.16    208.967  2523.83    187.313  139.732 6.1634  143.672 5.3732  -3.939697      8.176702 
1 1 1 -8  -31 38 o 216.581 5.1513  5735.85    270.708  5609.37    395.895  5846.91    370.994  213.171 7.6540  217.937 7.0157  -4.766190      10.38286 
1 1 1 -8  -31 39 o 38.488  4.3230  183.050    39.674   238.909    67.523   153.600    49.029   43.599  6.5883  34.899  6.0067  8.700638       8.915497 
1 1 1 -8  -31 40 o 136.884 4.0045  2286.38    133.003  2331.62    201.185  2251.26    177.267  137.733 6.0200  135.512 5.3912  2.220947       8.081152 
1 1 1 -8  -31 41 o 179.828 4.5852  3955.95    200.069  3918.38    297.427  3986.99    270.383  178.052 6.8845  179.920 6.1935  -1.868408      9.260401 
1 1 1 -8  -31 42 o 88.261  3.6665  950.576    78.520   877.922    123.711  999.590    101.611  84.182  6.0978  90.231  4.6570  -6.048492      7.672769 
1 1 1 -8  -31 43 o 65.990  3.6767  533.289    58.637   594.469    97.031   498.093    73.595   69.215  5.8319  63.555  4.8079  5.660137       7.558259 
1 1 1 -8  -31 44 o 151.052 6.1522  2821.23    225.488  2733.70    336.127  2892.86    304.056  146.526 9.5055  151.592 8.2978  -5.065994      12.61778 
1 1 1 -8  -31 45 o 54.077  5.7224  364.869    73.945   360.781    117.801  367.528    94.990   52.527  9.5964  53.763  7.4846  -1.235878      12.17004 
1 1 1 -8  -31 46 o 123.741 5.7327  1892.62    172.120  2013.44    261.641  1800.45    228.534  125.917 8.6154  119.453 7.9299  6.464638       11.70929 
1 1 1 -8  -31 47 o 89.574  3.8357  982.001    83.367   1108.43    135.496  904.984    105.754  94.414  5.9449  85.553  5.1179  8.861305       7.844449 
1 1 1 -8  -31 48 o 94.622  3.9058  1096.50    89.673   1119.68    144.515  1081.99    114.350  94.705  6.3253  93.569  5.0554  1.136169       8.097298 
1 1 1 -8  -31 49 o 70.936  4.0540  618.855    69.488   609.695    115.718  624.021    86.899   69.507  6.9547  70.961  5.0806  -1.454033      8.612781 
1 1 1 -8  -31 50 o 68.370  4.0329  575.216    66.608   537.342    114.367  594.657    81.938   65.004  7.3819  69.289  4.9054  -4.284775      8.863116 
1 1 1 -8  -31 51 o 89.493  5.4073  995.123    116.866  996.541    202.382  994.414    143.143  87.333  9.7152  88.913  6.6839  -1.579453      11.79240 
1 1 1 -8  -31 52 o 68.006  5.4350  576.982    88.933   623.717    159.410  555.863    107.160  68.692  9.8457  66.247  6.7613  2.444740       11.94377 
1 1 1 -8  -31 53 o 59.006  4.2322  430.665    60.192   434.219    109.260  429.116    72.123   57.882  7.9928  58.641  5.1202  -0.7595367     9.492187 
1 1 1 -8  -31 54 o 20.543  6.9150  50.649     40.785   98.261     82.257   35.129     46.964   28.219  9.8111  19.221  7.2996  8.997795       12.22878 
1 1 1 -8  -31 55 o 15.290  6.2018  13.566     35.875   47.014     74.889   3.6038     40.870   23.120  9.0982  15.121  6.4141  7.999207       11.13190 
1 1 1 -8  -31 56 o 10.076  4.8318  -47.0004   33.993   0.3198     77.963   -58.1083   37.773   20.043  8.6848  10.317  4.9835  9.726315       10.01310 
1 1 1 -8  -31 57 o 23.389  7.2097  70.689     44.972   -43.5572   90.131   108.562    51.893   19.103  8.7254  28.538  7.4237  -9.435480      11.45615 
1 1 1 -8  -31 58 o 40.478  6.4144  212.622    60.900   250.970    121.762  199.829    70.328   41.553  11.622  38.667  7.7656  2.886269       13.97756 
1 1 1 -8  -31 59 o 79.992  4.6400  799.104    89.672   674.863    166.304  850.033    106.476  69.920  10.095  82.115  5.3736  -12.19574      11.43607 
1 1 1 -8  -31 60 o 12.244  5.7886  -48.4578   45.376   -155.5072  109.057  -26.0453   49.901   17.267  8.3725  14.330  6.5248  2.937304       10.61467 
1 1 1 -8  -31 61 o 81.165  6.5305  846.132    127.524  768.107    221.655  884.737    155.911  71.610  13.245  81.948  7.9407  -10.33808      15.44263 
1 1 1 -8  -31 62 o 50.423  7.9274  338.234    93.788   266.324    168.392  370.572    112.924  41.600  14.051  52.022  9.2868  -10.42208      16.84233 
1 1 1 -8  -31 63 f 75.241  4.8477  709.427    88.031   825.433    171.561  667.968    102.562  78.103  9.2315  72.458  5.8844  5.645058       10.94746 
1 1 1 -8  -31 64 o 53.005  12.088  415.717    152.015  415.717    152.015  0.0000     0.0000   53.005  12.088  ?       ?       0.000000       12.08762 
1 1 1 -8  -31 65 o 30.226  14.094  -63.0173   253.419  -63.0173   253.419  0.0000     0.0000   30.226  14.094  ?       ?       0.000000       14.09410 
1 1 1 -8  -30 1  o 48.160  4.7273  285.574    54.529   318.850    82.505   259.766    72.660   50.524  6.9113  45.540  6.7826  4.983681       9.683465 
1 1 1 -8  -30 2  o 73.407  6.0921  663.456    107.529  545.915    148.907  791.537    155.441  65.772  9.6145  79.803  8.1416  -14.03054      12.59854 
1 1 1 -8  -30 3  o 125.476 4.0924  1916.44    124.596  1786.15    180.008  2036.27    172.633  120.728 6.1656  129.165 5.5082  -8.437927      8.267694 
1 1 1 -8  -30 4  o 217.334 7.4123  5788.33    390.882  5788.33    390.882  0.0000     0.0000   217.334 7.4123  ?       ?       0.000000       7.412317 
1 1 1 -8  -30 5  o 19.891  7.3442  37.998     46.836   37.998     46.836   0.0000     0.0000   19.891  7.3442  ?       ?       0.000000       7.344186 
1 1 1 -8  -30 6  o 172.809 6.4843  3647.79    271.890  3647.79    271.890  0.0000     0.0000   172.809 6.4843  ?       ?       0.000000       6.484313 
1 1 1 -8  -30 7  o 132.210 4.1117  2126.20    131.902  2119.62    189.719  2132.35    183.512  131.819 5.9316  132.240 5.7192  -0.4204865     8.239737 
1 1 1 -8  -30 8  o 65.200  4.9287  520.537    77.398   457.901    129.659  555.212    96.471   60.408  9.1308  67.208  5.9782  -6.800175      10.91377 
1 1 1 -8  -30 9  o 272.105 6.6520  9040.25    439.194  9602.95    543.375  7979.95    745.896  280.049 7.9965  253.787 12.113  26.26218       14.51428 
1 1 1 -8  -30 10 o 176.486 6.4771  3801.15    277.367  4175.59    417.917  3506.36    370.807  184.151 9.3842  168.789 9.0875  15.36180       13.06310 
1 1 1 -8  -30 11 o 131.967 5.7905  2122.60    185.417  2220.44    289.126  2054.26    241.651  134.264 8.9257  129.367 7.7338  4.897263       11.81022 
1 1 1 -8  -30 12 o 165.717 6.2850  3349.55    252.719  3505.50    380.240  3226.15    338.233  168.746 9.3228  162.032 8.6342  6.714188       12.70688 
1 1 1 -8  -30 13 o 264.820 8.2949  8586.29    532.996  9256.58    774.375  7982.88    734.728  273.751 11.658  254.120 11.916  19.63188       16.67035 
1 1 1 -8  -30 14 o 131.092 5.7490  2093.99    182.866  2374.50    284.618  1896.78    238.637  138.991 8.4800  124.272 7.9559  14.71916       11.62778 
1 1 1 -8  -30 15 o 201.384 9.5426  4978.75    466.287  0.0000     0.0000   4978.75    466.287  ?       ?       201.384 9.5426  0.000000       9.542571 
1 1 1 -8  -30 16 f 121.144 7.3911  1799.64    216.218  0.0000     0.0000   1799.64    216.218  ?       ?       121.144 7.3911  0.000000       7.391088 
1 1 1 -8  -30 17 o 323.437 13.790  13003.39   1082.25  0.0000     0.0000   13003.39   1082.25  ?       ?       323.437 13.790  0.000000       13.79035 
1 1 1 -8  -30 18 o 166.647 5.1026  3380.53    206.325  3795.40    376.196  3202.04    246.747  175.773 8.8489  162.049 6.2754  13.72328       10.84822 
1 1 1 -8  -30 19 o 359.822 7.4808  15820.67   653.128  15864.23   924.881  15777.34   922.448  359.018 10.617  358.033 10.618  0.9849854      15.01570 
1 1 1 -8  -30 20 o 156.590 4.1936  2981.56    159.337  2822.68    226.150  3138.17    224.533  152.166 6.1251  160.489 5.7660  -8.322464      8.412098 
1 1 1 -8  -30 21 o 317.518 6.7470  12303.04   519.812  12377.66   736.391  12228.92   733.865  317.549 9.5573  315.625 9.5825  1.923462       13.53390 
1 1 1 -8  -30 22 o 113.688 3.7358  1570.88    103.052  1492.36    146.720  1647.34    144.774  110.696 5.4625  116.329 5.1291  -5.632530      7.493108 
1 1 1 -8  -30 23 o 203.667 4.8599  5047.87    240.169  4900.00    340.974  5193.47    338.341  200.330 7.0147  206.289 6.7595  -5.958786      9.741542 
1 1 1 -8  -30 24 o 123.088 3.8519  1841.67    115.041  1918.68    163.925  1766.93    161.486  125.520 5.3823  120.441 5.5258  5.078362       7.713893 
1 1 1 -8  -30 25 f 259.163 5.7530  8184.27    361.769  7857.45    512.775  8508.16    510.470  253.327 8.3422  263.711 7.9777  -10.38391      11.54280 
1 1 1 -8  -30 26 o 160.003 4.2849  3113.56    166.352  3121.51    236.826  3105.82    233.721  160.005 6.1000  159.611 6.0349  0.3941345      8.580817 
1 1 1 -8  -30 27 o 130.430 3.9738  2068.36    125.761  2126.36    178.988  2011.81    176.739  132.108 5.5838  128.492 5.6688  3.616257       7.957044 
1 1 1 -8  -30 28 o 179.760 6.5382  3943.69    285.177  3959.92    395.274  3926.07    411.840  179.407 9.1101  178.516 9.5425  0.8905334      13.19293 
1 1 1 -8  -30 29 o 95.092  4.8218  1103.48    110.890  1130.96    170.696  1083.42    145.861  95.898  7.3929  94.006  6.4334  1.892548       9.800152 
1 1 1 -8  -30 30 o 42.690  5.4693  225.665    55.350   362.256    89.331   140.551    70.517   54.011  6.9797  33.243  8.6570  20.76807       11.12024 
1 1 1 -8  -30 31 o 138.826 5.4494  2348.85    183.563  2268.76    273.802  2414.24    247.396  135.776 8.3514  140.309 7.2919  -4.533279      11.08687 
1 1 1 -8  -30 32 f 170.617 4.3256  3542.29    179.075  3654.75    263.216  3445.39    244.338  173.018 6.2699  168.035 5.9928  4.983078       8.673199 
1 1 1 -8  -30 33 o 27.399  5.3789  94.679     34.483   74.519     58.179   105.596    42.814   25.156  8.2528  28.853  6.2927  -3.696178      10.37817 
1 1 1 -8  -30 34 o 204.389 4.8466  5089.78    240.358  5143.60    350.804  5042.16    329.985  204.981 7.0532  203.038 6.6981  1.942139       9.726893 
1 1 1 -8  -30 35 o 118.136 4.2239  1699.11    121.078  1673.43    226.322  1709.41    143.310  116.437 8.0603  118.412 4.9879  -1.975731      9.478809 
1 1 1 -8  -30 36 o 63.557  3.6199  493.035    55.593   508.773    89.044   482.983    71.166   64.274  5.7711  62.772  4.7067  1.502724       7.447051 
1 1 1 -8  -30 37 f 127.841 7.6106  2016.88    235.010  1280.06    429.507  2331.74    280.767  97.370  18.861  137.221 8.4741  -39.85104      20.67705 
1 1 1 -8  -30 38 o 256.388 5.8665  8047.21    364.959  7448.90    529.046  8590.46    504.115  245.250 8.8904  263.955 7.8711  -18.70483      11.87405 
1 1 1 -8  -30 39 o 24.224  5.9051  74.765     34.394   119.415    59.337   52.173     42.208   30.531  7.9363  21.141  7.0339  9.390409       10.60479 
1 1 1 -8  -30 40 o 89.785  3.6141  982.126    78.734   954.286    123.892  1000.99    101.975  88.020  5.8340  90.398  4.6650  -2.378624      7.469817 
1 1 1 -8  -30 41 o 146.667 4.1284  2625.66    146.921  2658.35    222.040  2600.19    195.951  147.012 6.2246  145.600 5.5465  1.412140       8.337284 
1 1 1 -8  -30 42 o 97.937  3.7311  1170.04    88.665   1071.51    138.981  1237.67    115.140  93.083  6.1887  100.563 4.7187  -7.479881      7.782433 
1 1 1 -8  -30 43 o 40.543  4.5002  203.563    43.523   239.556    73.434   184.074    54.036   43.409  7.2260  38.211  6.0280  5.197567       9.410209 
1 1 1 -8  -30 44 o 126.070 5.7159  1957.75    174.847  1945.97    263.570  1967.01    233.664  124.133 8.8079  125.375 7.7185  -1.241783      11.71128 
1 1 1 -8  -30 45 o 76.349  5.4266  721.161    99.875   685.892    157.111  745.079    129.383  73.213  9.0358  77.128  6.9894  -3.915535      11.42359 
1 1 1 -8  -30 46 o 83.321  5.4518  859.198    109.612  769.829    171.517  920.896    142.511  77.391  9.3214  85.773  6.9060  -8.382133      11.60091 
1 1 1 -8  -30 47 o 59.672  3.9891  437.780    57.425   517.482    95.285   392.321    71.961   64.340  6.1795  56.171  5.3443  8.168800       8.169943 
1 1 1 -8  -30 48 o 67.018  4.0540  552.130    65.613   450.699    109.822  608.433    81.822   59.440  7.8031  70.175  4.8348  -10.73502      9.179557 
1 1 1 -8  -30 49 o 50.286  4.2830  312.375    51.761   337.353    91.113   300.473    62.895   51.365  7.5346  49.060  5.3714  2.304943       9.253198 
1 1 1 -8  -30 50 o 60.472  4.0807  450.320    59.525   411.012    103.363  469.825    72.811   56.683  7.7158  61.572  4.9145  -4.889095      9.148066 
1 1 1 -8  -30 51 o 49.024  6.0963  303.047    70.951   264.412    136.924  317.228    82.957   43.776  12.353  49.869  7.0525  -6.092800      14.22419 
1 1 1 -8  -30 52 o 64.039  5.7630  513.121    88.589   364.421    161.927  576.641    105.833  50.865  13.054  67.636  6.5300  -16.77020      14.59655 
1 1 1 -8  -30 53 o 56.021  5.9557  395.123    79.714   510.934    150.450  349.922    93.992   61.730  10.415  52.062  7.6703  9.667271       12.93492 
1 1 1 -8  -30 54 o 61.238  4.2803  464.052    63.201   462.279    113.577  464.846    76.065   59.691  8.0469  61.013  5.1872  -1.322578      9.573923 
1 1 1 -8  -30 55 o 42.223  4.9897  223.987    50.132   211.519    97.017   228.529    58.555   39.256  10.121  42.392  5.8484  -3.136215      11.68906 
1 1 1 -8  -30 56 o 14.399  6.0719  4.4699     36.278   -42.8694   80.918   16.379     40.586   18.080  8.2619  16.325  6.6052  1.755384       10.57767 
1 1 1 -8  -30 57 o 101.926 4.1588  1283.15    102.852  1309.14    151.607  1260.98    139.995  101.710 6.1723  100.063 5.7908  1.646835       8.463508 
1 1 1 -8  -30 58 o 37.776  6.5606  185.880    57.953   249.064    117.335  165.493    66.649   41.659  11.315  35.077  8.0072  6.582169       13.86163 
1 1 1 -8  -30 59 o 69.262  4.8333  600.548    80.718   682.969    149.739  566.787    95.835   71.457  8.8237  66.734  5.9820  4.722694       10.66026 
1 1 1 -8  -30 60 o 42.797  6.1555  236.296    62.081   424.907    126.481  176.436    71.254   55.550  9.7389  36.036  8.3178  19.51364       12.80748 
1 1 1 -8  -30 61 o 42.630  8.2933  245.037    82.695   264.024    156.369  237.665    97.435   41.692  13.522  41.190  9.8768  0.5025024      16.74541 
1 1 1 -8  -30 62 o 44.090  8.4505  262.397    87.114   211.538    157.943  284.633    104.436  38.131  13.567  45.236  9.7984  -7.104477      16.73540 
1 1 1 -8  -30 63 o 104.836 8.5928  1457.66    216.660  1457.66    216.660  0.0000     0.0000   104.836 8.5928  ?       ?       0.000000       8.592822 
1 1 1 -8  -30 64 o 44.876  12.445  301.522    140.249  301.522    140.249  0.0000     0.0000   44.876  12.445  ?       ?       0.000000       12.44532 
1 1 1 -8  -30 65 o 32.853  10.175  151.825    89.448   -102.1594  269.592  183.243    94.819   30.280  14.253  35.821  10.336  -5.540398      17.60615 
1 1 1 -8  -29 1  o 70.943  3.9764  614.354    68.172   616.043    98.476   612.800    94.469   70.801  5.7828  70.648  5.5558  0.1532440      8.019159 
1 1 1 -8  -29 2  o 147.501 4.2944  2648.10    153.695  2552.05    221.376  2737.48    213.549  144.530 6.3126  149.758 5.8768  -5.228333      8.624742 
1 1 1 -8  -29 3  f 126.855 5.8458  1963.28    179.937  1963.28    179.937  0.0000     0.0000   126.855 5.8458  ?       ?       0.000000       5.845846 
1 1 1 -8  -29 4  o 83.502  5.6193  853.840    113.191  853.840    113.191  0.0000     0.0000   83.502  5.6193  ?       ?       0.000000       5.619298 
1 1 1 -8  -29 5  o 257.516 8.1122  8123.21    506.882  8123.21    506.882  0.0000     0.0000   257.516 8.1122  ?       ?       0.000000       8.112203 
1 1 1 -8  -29 6  f 132.290 4.0558  2128.13    130.189  2181.49    187.322  2078.27    181.066  133.780 5.7708  130.583 5.7146  3.197571       8.121509 
1 1 1 -8  -29 7  o 51.550  3.9386  324.962    48.892   359.031    74.549   299.246    64.767   53.973  5.7825  49.259  5.5133  4.713428       7.989672 
1 1 1 -8  -29 8  o 108.251 3.8094  1424.41    100.057  1527.45    146.279  1333.81    137.165  111.991 5.3831  104.509 5.4278  7.481873       7.644525 
1 1 1 -8  -29 9  o 124.443 3.9310  1882.54    118.697  2065.52    172.142  1716.68    163.888  130.231 5.4476  118.705 5.6900  11.52608       7.877387 
1 1 1 -8  -29 10 o 253.860 5.6937  7850.73    350.714  8466.76    499.283  7250.71    492.750  263.153 7.8194  243.393 8.3436  19.76009       11.43499 
1 1 1 -8  -29 11 o 194.888 4.7653  4621.02    225.340  5032.62    322.162  4226.75    315.307  203.128 6.5364  186.085 6.9832  17.04254       9.565059 
1 1 1 -8  -29 12 o 263.307 5.8311  8446.67    372.546  8968.61    529.713  7935.84    524.051  270.803 8.0616  254.626 8.4822  16.17755       11.70201 
1 1 1 -8  -29 13 o 196.099 6.8869  4692.52    327.691  4596.94    484.737  4772.96    444.699  193.114 10.383  197.306 9.2888  -4.191650      13.93163 
1 1 1 -8  -29 14 o 191.291 9.2109  4485.26    427.527  0.0000     0.0000   4485.26    427.527  ?       ?       191.291 9.2109  0.000000       9.210939 
1 1 1 -8  -29 15 o 217.174 10.028  5791.68    528.425  0.0000     0.0000   5791.68    528.425  ?       ?       217.174 10.028  0.000000       10.02793 
1 1 1 -8  -29 16 o 17.330  7.2384  6.6476     50.794   0.0000     0.0000   6.6476     50.794   ?       ?       17.330  7.2384  0.000000       7.238420 
1 1 1 -8  -29 17 o 193.560 6.6504  4569.48    312.339  5496.93    460.595  3779.91    424.981  211.840 8.9608  175.177 10.040  36.66338       13.45741 
1 1 1 -8  -29 18 o 287.774 8.8457  10141.27   617.657  10249.12   886.823  10039.67   860.760  287.885 12.696  285.034 12.446  2.851471       17.77852 
1 1 1 -8  -29 19 o 276.238 8.5739  9339.21    574.681  9335.36    825.496  9342.82    800.522  274.883 12.377  275.146 11.991  -0.2621765     17.23252 
1 1 1 -8  -29 20 o 171.905 4.3856  3593.45    182.928  3612.37    259.915  3574.88    257.502  172.157 6.2222  171.264 6.1966  0.8924255      8.781396 
1 1 1 -8  -29 21 f 31.128  4.7728  120.592    34.899   155.656    50.500   88.536     48.285   35.238  6.1289  26.519  7.2816  8.718237       9.517645 
1 1 1 -8  -29 22 o 208.796 4.9425  5304.61    250.397  5363.30    355.300  5246.70    352.942  209.641 6.9848  207.344 7.0153  2.296616       9.899605 
1 1 1 -8  -29 23 o 182.174 4.5655  4036.47    201.809  3838.25    286.567  4231.50    284.251  177.393 6.6577  186.313 6.2877  -8.919785      9.157544 
1 1 1 -8  -29 24 o 185.810 4.6227  4199.53    208.416  4074.19    296.048  4322.70    293.458  182.758 6.6761  188.287 6.4233  -5.529144      9.264405 
1 1 1 -8  -29 25 o 262.681 5.8162  8406.08    370.710  8455.51    525.477  8357.11    523.058  262.905 8.2374  261.368 8.2477  1.536987       11.65674 
1 1 1 -8  -29 26 o 197.135 4.7767  4728.14    228.484  4622.41    324.308  4832.35    321.956  194.625 6.8674  199.029 6.6668  -4.403854      9.571192 
1 1 1 -8  -29 27 o 253.857 5.6680  7849.95    349.125  7808.90    495.056  7890.56    492.430  252.669 8.0749  254.008 7.9897  -1.339417      11.35960 
1 1 1 -8  -29 28 o 117.991 3.6513  1691.90    104.533  1828.89    155.811  1579.76    140.966  122.564 5.2393  113.922 5.0997  8.642838       7.311416 
1 1 1 -8  -29 29 o 116.635 5.0967  1656.04    144.239  1453.43    216.039  1818.99    193.746  108.664 8.2555  121.928 6.5732  -13.26373      10.55269 
1 1 1 -8  -29 30 o 43.026  5.4879  229.119    55.988   306.286    90.970   182.065    71.036   49.448  7.8438  37.876  7.9812  11.57195       11.19041 
1 1 1 -8  -29 31 o 182.294 6.0586  4052.26    267.986  5041.60    394.659  3205.81    365.049  202.947 8.0145  161.310 9.3670  41.63687       12.32774 
1 1 1 -8  -29 32 o 244.089 7.5828  7288.60    449.099  7745.14    651.677  6875.66    619.769  250.584 10.718  236.063 10.820  14.52122       15.23005 
1 1 1 -8  -29 33 o 87.843  3.5403  937.939    75.458   887.953    115.667  974.974    99.562   85.162  5.6293  89.383  4.6063  -4.221062      7.273719 
1 1 1 -8  -29 34 o 128.575 3.8097  2010.34    118.854  2116.45    177.864  1924.74    159.760  131.750 5.5638  125.677 5.2390  6.072762       7.642226 
1 1 1 -8  -29 35 o 139.500 4.7190  2370.07    159.729  2346.76    201.000  2410.02    263.126  138.651 5.9746  139.998 7.7766  -1.347733      9.806735 
1 1 1 -8  -29 36 o 70.851  4.3740  613.530    74.827   621.930    97.120   601.260    117.378  71.160  5.6719  69.728  7.0338  1.431450       9.035748 
1 1 1 -8  -29 37 o 155.612 4.1785  2948.56    157.770  3040.95    235.158  2872.93    212.760  157.697 6.1457  153.359 5.7176  4.337448       8.394131 
1 1 1 -8  -29 38 o 349.906 7.3458  15040.64   623.674  15465.19   895.484  14640.72   869.124  352.561 10.468  343.056 10.441  9.504791       14.78502 
1 1 1 -8  -29 39 o 174.883 4.4373  3729.48    188.292  3961.50    279.490  3536.67    254.790  179.745 6.4083  169.896 6.1806  9.848465       8.903210 
1 1 1 -8  -29 40 o 48.727  3.9706  291.271    46.538   133.792    77.809   378.980    58.069   32.428  9.3651  55.573  4.3409  -23.14519      10.32224 
1 1 1 -8  -29 41 o 84.922  3.5833  878.565    73.836   985.655    117.568  808.817    94.881   89.548  5.4366  81.203  4.8375  8.345695       7.277210 
1 1 1 -8  -29 42 o 88.643  3.7013  957.978    79.609   954.350    124.669  960.475    103.447  87.960  5.8751  88.477  4.8369  -0.5169296     7.610049 
1 1 1 -8  -29 43 o 121.205 3.8922  1793.00    114.468  1843.52    176.323  1756.20    150.492  122.417 5.9361  119.679 5.1824  2.738106       7.880013 
1 1 1 -8  -29 44 o 108.492 3.8429  1437.16    101.162  1356.03    157.461  1494.19    132.010  104.669 6.2281  110.397 4.9281  -5.728279      7.942059 
1 1 1 -8  -29 45 o 19.108  7.1998  33.893     45.464   -49.7594   80.937   72.454     54.952   18.076  8.2612  24.479  8.0202  -6.403042      11.51390 
1 1 1 -8  -29 46 o 75.225  5.3932  700.054    97.788   661.398    152.511  727.040    127.430  71.914  8.9327  76.186  6.9707  -4.271805      11.33060 
1 1 1 -8  -29 47 o 68.567  5.5725  583.524    91.909   589.625    145.064  579.433    118.795  67.720  9.0551  67.773  7.3414  -0.5236053E-01 11.65721 
1 1 1 -8  -29 48 o 84.766  3.8502  879.001    79.191   790.675    130.051  931.050    99.833   79.429  6.8139  86.928  4.7512  -7.498596      8.306793 
1 1 1 -8  -29 49 o 42.484  4.6499  224.260    47.150   296.379    84.364   191.499    56.860   48.141  7.4639  38.837  6.2456  9.304920       9.732292 
1 1 1 -8  -29 50 o 45.347  4.6663  255.326    50.611   224.998    91.532   268.681    60.741   41.232  9.3626  46.328  5.5117  -5.095123      10.86451 
1 1 1 -8  -29 51 o 72.590  4.4218  649.536    77.512   711.474    172.212  633.800    86.801   73.799  9.8640  71.535  5.0329  2.263931       11.07379 
1 1 1 -8  -29 52 o 55.974  5.8298  392.732    78.015   361.384    148.368  404.711    91.718   51.179  12.132  56.501  6.8286  -5.321850      13.92213 
1 1 1 -8  -29 53 o 61.623  5.7466  475.553    84.934   412.427    160.295  500.194    100.148  54.426  12.413  62.882  6.6654  -8.456116      14.08933 
1 1 1 -8  -29 54 o 51.833  14.272  391.835    185.181  452.980    288.675  349.080    241.392  53.628  18.395  48.435  16.809  5.192230       24.91810 
1 1 1 -8  -29 55 o 79.757  4.0947  784.817    78.976   780.128    138.215  787.091    96.233   78.085  7.3825  79.546  5.0115  -1.460991      8.922832 
1 1 1 -8  -29 56 o 64.483  4.2636  515.083    66.333   586.219    121.696  485.015    79.120   67.389  7.5737  62.218  5.2911  5.170540       9.238911 
1 1 1 -8  -29 57 o 31.454  6.1988  128.528    45.627   165.029    94.418   117.407    52.116   34.639  10.400  29.768  7.2765  4.870609       12.69298 
1 1 1 -8  -29 58 o 75.341  4.2319  703.909    77.050   713.006    136.653  699.669    93.294   74.014  7.7229  74.714  5.1781  -0.6997375     9.298226 
1 1 1 -8  -29 59 o 59.069  5.1724  439.046    73.386   496.291    141.720  418.072    85.783   60.067  10.081  57.146  6.2908  2.920456       11.88273 
1 1 1 -8  -29 60 o 53.628  5.4414  364.127    69.825   429.704    140.137  342.470    80.533   55.222  10.846  51.497  6.5968  3.724964       12.69433 
1 1 1 -8  -29 61 o 57.738  7.2910  434.775    99.866   319.440    175.565  489.945    121.424  45.347  14.289  60.626  8.4870  -15.27856      16.61941 
1 1 1 -8  -29 62 o 69.626  12.954  712.579    210.798  712.579    210.798  0.0000     0.0000   69.626  12.954  ?       ?       0.000000       12.95426 
1 1 1 -8  -29 63 o 72.548  9.8186  717.466    168.398  717.466    168.398  0.0000     0.0000   72.548  9.8186  ?       ?       0.000000       9.818645 
1 1 1 -8  -29 64 o 23.435  7.9887  68.303     54.441   275.998    123.553  18.262     60.646   43.572  11.513  19.103  7.9380  24.46977       13.98463 
1 1 1 -8  -29 65 o 32.886  10.992  150.783    103.052  -11.1188   293.402  173.567    110.065  33.615  15.497  34.872  11.347  -1.256710      19.20707 
1 1 1 -8  -28 1  o 38.483  5.0160  183.402    45.724   159.629    62.278   211.203    67.347   35.461  7.4736  41.000  7.0223  -5.538975      10.25511 
1 1 1 -8  -28 2  o 58.843  5.9518  426.536    83.810   426.536    83.810   0.0000     0.0000   58.843  5.9518  ?       ?       0.000000       5.951782 
1 1 1 -8  -28 3  f 85.903  5.5887  902.964    115.855  902.964    115.855  0.0000     0.0000   85.903  5.5887  ?       ?       0.000000       5.588712 
1 1 1 -8  -28 4  o 62.912  5.8754  486.556    88.650   486.556    88.650   0.0000     0.0000   62.912  5.8754  ?       ?       0.000000       5.875432 
1 1 1 -8  -28 5  o 361.829 7.4639  15998.26   655.291  15939.27   930.335  16056.34   923.151  359.822 10.656  361.201 10.533  -1.379150      14.98317 
1 1 1 -8  -28 6  o 335.778 8.2175  13795.00   669.509  14481.70   1150.56  13443.44   823.241  341.368 13.891  330.693 10.260  10.67493       17.26881 
1 1 1 -8  -28 7  o 106.039 3.7669  1366.56    96.922   1510.62    141.959  1240.77    132.650  111.397 5.2520  100.800 5.4437  10.59700       7.564229 
1 1 1 -8  -28 8  o 268.655 5.9370  8793.72    387.015  9310.35    550.682  8289.51    544.023  275.897 8.2260  260.230 8.6158  15.66678       11.91217 
1 1 1 -8  -28 9  o 234.731 5.3288  6707.17    303.504  7033.12    432.220  6390.13    426.281  239.987 7.4226  228.701 7.6818  11.28600       10.68199 
1 1 1 -8  -28 10 o 89.561  3.6558  974.664    79.444   1032.83    116.406  923.951    108.692  91.971  5.2380  86.979  5.1735  4.991943       7.362134 
1 1 1 -8  -28 11 f 71.619  3.6971  624.940    64.028   739.532    95.601   531.729    86.223   77.792  5.0929  65.867  5.4438  11.92561       7.454697 
1 1 1 -8  -28 12 o 49.914  3.9164  304.647    47.051   340.385    72.989   279.237    61.545   52.547  5.8225  47.589  5.4270  4.958370       7.959489 
1 1 1 -8  -28 13 o 285.366 7.1461  9937.48    494.805  10558.27   849.894  9619.17    608.581  292.608 11.971  280.295 8.9483  12.31348       14.94543 
1 1 1 -8  -28 14 o 64.645  4.9279  511.329    76.713   0.0000     0.0000   511.329    76.713   ?       ?       64.645  4.9279  0.000000       4.927859 
1 1 1 -8  -28 15 o 118.901 7.2612  1731.76    208.483  0.0000     0.0000   1731.76    208.483  ?       ?       118.901 7.2612  0.000000       7.261197 
1 1 1 -8  -28 16 o 96.632  5.3260  1139.93    124.397  1201.12    197.531  1099.71    160.141  98.771  8.3196  94.687  7.0203  4.084381       10.88578 
1 1 1 -8  -28 17 o 278.367 8.6037  9479.72    581.120  9557.14    834.758  9406.92    809.480  278.271 12.363  276.182 12.079  2.088928       17.28465 
1 1 1 -8  -28 18 o 33.707  6.6195  143.301    52.207   53.967     84.770   197.892    66.266   25.507  9.7781  39.676  7.1461  -14.16967      12.11106 
1 1 1 -8  -28 19 o 277.521 8.5449  9421.05    575.399  9755.25    826.086  9106.11    801.925  281.242 12.105  271.703 12.164  9.539886       17.16112 
1 1 1 -8  -28 20 o 92.271  5.0835  1039.05    113.372  920.415    171.302  1131.52    151.233  86.381  8.2743  96.125  6.5226  -9.744514      10.53604 
1 1 1 -8  -28 21 o 115.456 5.3107  1622.38    148.777  1486.90    220.543  1735.52    201.542  109.968 8.3272  119.071 7.0067  -9.102676      10.88282 
1 1 1 -8  -28 22 o 50.485  3.6597  311.308    44.526   325.906    63.622   297.294    62.336   51.496  5.1612  49.139  5.3126  2.356792       7.406905 
1 1 1 -8  -28 23 o 281.326 6.1111  9642.72    417.148  9338.63    591.051  9944.52    588.828  276.221 8.8187  285.126 8.5111  -8.905670      12.25596 
1 1 1 -8  -28 24 o 56.232  3.6700  385.849    49.799   348.020    71.310   421.860    69.576   53.171  5.6121  58.681  4.9323  -5.509773      7.471466 
1 1 1 -8  -28 25 o 68.556  3.5728  572.583    59.227   618.297    85.256   529.942    82.339   71.115  4.9721  65.786  5.2007  5.329727       7.195088 
1 1 1 -8  -28 26 o 76.134  3.6441  704.303    67.318   806.036    95.809   605.107    94.607   81.252  4.8824  70.275  5.5946  10.97654       7.425404 
1 1 1 -8  -28 27 o 235.314 5.2403  6739.59    299.206  7037.96    431.595  6463.49    415.166  240.081 7.4089  230.068 7.4371  10.01242       10.49771 
1 1 1 -8  -28 28 o 263.022 5.7476  8426.12    366.810  8407.07    527.550  8443.95    510.371  262.167 8.2932  262.815 8.0034  -0.6478577     11.52522 
1 1 1 -8  -28 29 o 109.826 3.6023  1465.65    95.996   1546.70    144.497  1401.62    128.437  112.720 5.2832  107.326 4.9320  5.393364       7.227447 
1 1 1 -8  -28 30 o 355.389 10.323  15526.21   890.154  16285.39   1274.62  14803.44   1243.68  361.662 14.525  344.599 14.874  17.06226       20.78975 
1 1 1 -8  -28 31 o 330.320 9.6528  13395.59   773.662  14280.57   1110.45  12560.80   1078.50  339.152 13.494  317.807 13.986  21.34555       19.43435 
1 1 1 -8  -28 32 o 83.691  4.8474  855.243    98.014   991.186    151.827  758.105    128.340  89.825  7.0219  78.519  6.8036  11.30650       9.777293 
1 1 1 -8  -28 33 o 73.531  4.8333  660.895    85.754   777.818    135.949  583.632    110.512  79.478  7.1253  68.824  6.7027  10.65383       9.782418 
1 1 1 -8  -28 34 o 54.885  3.7102  367.861    49.119   520.615    79.186   272.325    62.623   65.193  5.0452  46.940  5.6093  18.25245       7.544457 
1 1 1 -8  -28 35 o 41.379  4.2680  210.518    42.236   158.049    68.989   241.974    53.417   35.212  8.2235  44.286  5.0620  -9.073883      9.656616 
1 1 1 -8  -28 36 o 121.299 3.8165  1789.46    112.329  1652.23    169.871  1896.09    149.741  116.185 6.0465  124.757 4.9467  -8.571648      7.812171 
1 1 1 -8  -28 37 o 64.327  3.6503  504.878    56.740   484.300    91.224   517.863    72.463   62.679  6.0745  65.043  4.6215  -2.364105      7.632705 
1 1 1 -8  -28 38 o 107.552 3.7217  1407.40    97.123   1273.90    148.682  1506.78    128.273  101.910 6.0397  111.183 4.7548  -9.273109      7.686779 
1 1 1 -8  -28 39 o 85.056  3.5482  880.266    73.228   939.973    114.295  838.689    95.375   87.560  5.4061  82.790  4.7680  4.770363       7.208283 
1 1 1 -8  -28 40 o 74.764  3.5655  680.388    64.681   811.548    104.075  597.848    82.562   81.320  5.3036  69.810  4.9053  11.50984       7.224252 
1 1 1 -8  -28 41 o 53.954  3.9199  356.604    50.967   419.343    79.804   313.388    66.234   58.241  5.7211  50.307  5.5166  7.933529       7.947533 
1 1 1 -8  -28 42 f 40.030  4.5166  198.145    43.103   220.720    70.458   184.644    54.489   41.731  7.2197  38.331  6.0601  3.399998       9.425996 
1 1 1 -8  -28 43 o 110.129 3.8252  1479.28    102.216  1446.70    158.473  1502.48    133.760  108.315 6.0540  110.785 4.9760  -2.470703      7.836571 
1 1 1 -8  -28 44 o 105.072 3.8082  1347.23    97.090   1316.91    151.033  1368.58    126.749  103.257 6.0547  105.692 4.9424  -2.435097      7.815823 
1 1 1 -8  -28 45 o 123.699 5.6655  1882.67    170.048  1942.22    256.698  1836.10    227.000  124.265 8.5659  121.194 7.7601  3.071053       11.55827 
1 1 1 -8  -28 46 o 28.158  7.7054  102.099    54.175   205.909    92.936   48.666     66.675   39.557  9.7461  22.913  8.6985  16.64406       13.06333 
1 1 1 -8  -28 47 o 124.206 5.7432  1903.12    173.085  1965.50    261.840  1854.71    230.671  124.623 8.7140  121.510 7.8660  3.112106       11.73913 
1 1 1 -8  -28 48 o 53.657  4.0229  354.254    51.994   396.915    88.461   331.737    64.267   56.182  6.6160  51.669  5.1967  4.513046       8.412939 
1 1 1 -8  -28 49 o 20.663  6.6275  52.017     37.641   75.739     73.352   43.537     43.855   25.955  9.2446  20.037  7.1469  5.918037       11.68503 
1 1 1 -8  -28 50 o 33.509  5.5858  142.196    43.817   184.721    85.859   127.220    50.952   37.361  9.4613  31.375  6.8823  5.986311       11.69963 
1 1 1 -8  -28 51 o 110.532 4.9484  1504.27    132.713  1218.83    182.433  1825.11    193.418  98.198  7.7188  120.886 6.6193  -22.68809      10.16830 
1 1 1 -8  -28 52 o 48.775  5.9902  299.389    69.403   455.232    131.219  238.859    81.778   58.950  9.4963  42.824  8.1684  16.12641       12.52610 
1 1 1 -8  -28 53 o 34.274  7.4500  153.262    60.187   141.228    125.627  156.847    68.568   33.933  12.097  34.488  8.2953  -0.5549431     14.66796 
1 1 1 -8  -28 54 o 71.195  4.2033  625.205    72.290   633.217    128.608  621.505    87.404   70.347  7.6583  70.701  5.1299  -0.3537445     9.217663 
1 1 1 -8  -28 55 f 37.820  5.4711  181.161    48.748   156.482    97.609   189.362    56.268   34.169  10.636  38.452  6.2450  -4.283718      12.33419 
1 1 1 -8  -28 56 o 65.927  4.3748  538.480    69.584   463.661    126.685  570.805    83.270   59.142  9.1214  67.634  5.1119  -8.491859      10.45617 
1 1 1 -8  -28 57 o 13.971  6.1013  -5.8578    39.110   44.389     88.276   -18.1295   43.625   24.118  9.7473  13.844  6.2215  10.27358       11.56359 
1 1 1 -8  -28 58 f 59.228  4.5027  436.780    64.224   436.045    123.700  437.051    75.145   56.948  9.2710  58.955  5.3101  -2.006565      10.68406 
1 1 1 -8  -28 59 o 46.171  6.2917  273.956    68.649   401.383    137.834  231.918    79.167   53.410  11.002  41.664  8.1228  11.74531       13.67574 
1 1 1 -8  -28 60 o 43.060  6.2675  238.987    63.562   192.413    136.311  251.928    71.852   36.846  12.640  43.940  6.9721  -7.094303      14.43546 
1 1 1 -8  -28 61 o 58.043  7.3865  439.323    101.672  446.393    185.709  436.297    121.499  53.964  14.046  56.856  9.1151  -2.891258      16.74476 
1 1 1 -8  -28 62 o 74.362  12.737  802.674    221.543  802.674    221.543  0.0000     0.0000   74.362  12.737  ?       ?       0.000000       12.73663 
1 1 1 -8  -28 63 o 47.930  6.1340  294.416    69.701   211.357    148.666  317.817    78.911   38.305  13.197  49.564  6.7360  -11.25928      14.81679 
1 1 1 -8  -28 64 o 20.404  7.8567  39.799     54.889   -61.3327   133.617  60.329     60.203   22.822  10.498  22.953  8.3494  -0.1308250     13.41347 
1 1 1 -8  -28 65 o 23.055  9.6206  31.403     89.612   -16.8459   313.155  35.706     93.523   34.443  15.925  23.683  9.8508  10.76070       18.72524 
1 1 1 -8  -28 66 o 77.015  7.8039  784.043    143.818  704.968    400.480  795.750    154.098  56.028  21.307  77.131  8.3681  -21.10268      22.89113 
1 1 1 -8  -27 1  o 323.194 9.8179  12839.16   769.924  12839.16   769.924  0.0000     0.0000   323.194 9.8179  ?       ?       0.000000       9.817949 
1 1 1 -8  -27 2  o 75.733  5.5693  702.375    101.623  702.375    101.623  0.0000     0.0000   75.733  5.5693  ?       ?       0.000000       5.569285 
1 1 1 -8  -27 3  o 193.116 6.7900  4550.55    318.163  4550.55    318.163  0.0000     0.0000   193.116 6.7900  ?       ?       0.000000       6.789955 
1 1 1 -8  -27 4  o 164.021 4.3923  3271.49    174.806  3336.32    250.518  3209.97    244.036  165.442 6.2406  162.284 6.1974  3.157669       8.795109 
1 1 1 -8  -27 5  o 77.979  3.6450  738.872    68.966   699.888    102.395  771.239    93.302   75.606  5.6218  79.472  4.8619  -3.866501      7.432560 
1 1 1 -8  -27 6  o 227.896 6.0521  6327.68    334.661  6602.71    571.791  6184.38    412.741  231.907 10.162  225.035 7.5590  6.872482       12.66471 
1 1 1 -8  -27 7  o 339.200 7.1391  14039.79   587.578  14796.83   833.947  13293.50   828.007  347.303 9.8961  329.009 10.372  18.29385       14.33568 
1 1 1 -8  -27 8  o 177.229 4.5000  3819.35    193.514  3978.39    276.900  3667.52    270.552  180.682 6.3160  173.465 6.4280  7.216690       9.011715 
1 1 1 -8  -27 9  o 6.4529  3.1864  -40.6568   18.124   5.1050     30.505   -65.6210   22.531   13.575  5.6346  6.5493  3.2840  7.026010       6.521765 
1 1 1 -8  -27 10 o 77.790  3.5897  735.197    67.756   752.252    100.522  720.997    91.725   78.443  5.3127  76.828  4.9467  1.614372       7.259081 
1 1 1 -8  -27 11 o 101.517 3.6791  1252.16    90.626   1386.41    132.236  1133.27    124.446  106.747 5.1054  96.351  5.3440  10.39620       7.390759 
1 1 1 -8  -27 12 o 167.632 4.3625  3416.26    177.442  3708.89    254.115  3137.81    247.883  174.503 6.0016  160.467 6.3665  14.03531       8.749307 
1 1 1 -8  -27 13 o 56.946  5.0020  397.511    68.414   0.0000     0.0000   397.511    68.414   ?       ?       56.946  5.0020  0.000000       5.002002 
1 1 1 -8  -27 14 o 99.087  5.0401  1197.51    120.777  0.0000     0.0000   1197.51    120.777  ?       ?       99.087  5.0401  0.000000       5.040091 
1 1 1 -8  -27 15 o 154.019 4.1523  2883.33    155.176  3136.51    222.368  2643.02    216.648  160.505 5.7098  147.305 6.0614  13.19971       8.327193 
1 1 1 -8  -27 16 o 115.141 3.6711  1610.76    102.563  1640.60    146.226  1581.87    143.893  116.118 5.1899  114.020 5.2011  2.098335       7.347559 
1 1 1 -8  -27 17 o 155.968 4.7643  2958.51    180.303  2814.72    223.112  3229.18    306.112  152.017 6.0488  162.617 7.7580  -10.60060      9.837385 
1 1 1 -8  -27 18 o 154.437 5.8751  2904.41    220.158  2985.45    322.391  2833.60    301.371  156.024 8.5484  152.058 8.1985  3.965637       11.84440 
1 1 1 -8  -27 19 o 118.972 5.2882  1722.43    152.656  1758.41    225.186  1691.82    207.655  119.749 7.7925  117.525 7.3182  2.223564       10.69017 
1 1 1 -8  -27 20 o 154.684 5.8568  2913.62    219.821  3039.51    321.418  2802.99    301.303  157.456 8.4437  151.225 8.2425  6.230728       11.79980 
1 1 1 -8  -27 21 o 102.861 5.0864  1287.20    126.947  1237.03    188.813  1328.60    171.493  100.348 7.8163  104.166 6.8228  -3.817886      10.37522 
1 1 1 -8  -27 22 o 59.433  5.0831  432.862    72.598   235.791    111.203  579.243    95.840   42.984  10.703  68.730  5.8011  -25.74590      12.17415 
1 1 1 -8  -27 23 o 160.816 4.2306  3143.66    165.079  3155.79    234.475  3131.73    232.452  160.968 6.0034  160.356 5.9743  0.6117249      8.469489 
1 1 1 -8  -27 24 o 96.706  3.5837  1136.19    84.091   1129.10    120.035  1143.01    117.840  96.195  5.1616  96.800  5.0345  -0.6058044     7.210231 
1 1 1 -8  -27 25 o 76.551  3.5244  711.910    65.463   682.303    94.440   739.295    90.825   74.699  5.2437  77.814  4.8343  -3.115219      7.132121 
1 1 1 -8  -27 26 o 6.6440  3.2811  -43.2175   19.235   -13.0549   33.168   -58.5011   23.610   12.351  5.4963  7.1143  3.5346  5.236425       6.534754 
1 1 1 -8  -27 27 o 182.564 4.4426  4052.44    196.796  4246.26    286.499  3879.29    270.789  186.669 6.3254  178.430 6.2546  8.239578       8.895535 
1 1 1 -8  -27 28 o 341.136 7.0829  14198.23   586.277  14412.69   837.999  13992.62   820.520  342.719 10.077  337.712 10.013  5.007294       14.20624 
1 1 1 -8  -27 29 o 231.316 5.1913  6511.48    291.373  6760.44    421.187  6282.99    403.509  235.329 7.3763  226.875 7.3300  8.453293       10.39892 
1 1 1 -8  -27 30 o 75.457  3.4862  691.741    63.829   616.860    99.103   744.823    83.440   70.932  5.8090  78.141  4.4189  -7.208641      7.298750 
1 1 1 -8  -27 31 o 164.850 5.9053  3310.68    236.209  3394.50    349.422  3240.14    320.543  166.302 8.6896  162.785 8.1154  3.517258       11.88981 
1 1 1 -8  -27 32 o 177.167 6.1559  3825.81    264.632  3987.60    390.947  3688.99    359.516  180.412 8.9308  173.599 8.5351  6.813293       12.35337 
1 1 1 -8  -27 33 o 73.245  4.8602  655.687    85.887   873.343    137.186  515.382    110.144  84.332  6.7611  64.579  7.1491  19.75273       9.839863 
1 1 1 -8  -27 34 o 322.336 9.6138  12762.06   751.913  12891.45   1082.76  12641.53   1044.98  321.838 13.865  318.910 13.504  2.928162       19.35501 
1 1 1 -8  -27 35 o 103.900 3.6131  1312.12    91.088   1450.43    139.382  1209.02    120.340  109.125 5.2640  99.651  4.9770  9.473572       7.244326 
1 1 1 -8  -27 36 o 51.436  3.8591  323.506    47.812   261.350    78.142   360.701    60.448   45.673  7.2968  54.240  4.6376  -8.567646      8.645861 
1 1 1 -8  -27 37 o 100.907 3.6360  1238.04    89.024   1253.66    137.372  1226.73    116.891  101.233 5.6146  100.362 4.8001  0.8707504      7.386742 
1 1 1 -8  -27 38 o 81.889  3.5727  815.485    70.988   923.812    112.399  743.605    91.559   86.867  5.3588  77.968  4.8640  8.898697       7.237073 
1 1 1 -8  -27 39 o 186.327 4.7000  4231.53    212.487  3929.14    314.042  4486.87    288.576  178.981 7.2313  191.537 6.2093  -12.55519      9.531381 
1 1 1 -8  -27 40 o 37.012  4.7998  169.857    42.091   116.414    69.487   200.831    52.900   30.397  8.8707  40.163  5.5790  -9.765522      10.47927 
1 1 1 -8  -27 41 o 90.018  3.7018  986.697    80.856   882.631    125.548  1060.45    105.693  84.650  6.1547  93.102  4.6938  -8.452614      7.740245 
1 1 1 -8  -27 42 o 68.106  3.7182  566.738    61.211   673.611    98.376   499.223    78.191   73.975  5.5205  63.699  5.1018  10.27621       7.516946 
1 1 1 -8  -27 43 o 113.409 3.8626  1568.25    106.291  1550.69    164.454  1580.84    139.296  112.204 6.0630  113.662 5.0508  -1.457535      7.891153 
1 1 1 -8  -27 44 o 140.123 4.1421  2397.41    140.831  2374.84    214.374  2414.55    186.792  138.859 6.3626  140.284 5.4876  -1.425461      8.402206 
1 1 1 -8  -27 45 o 74.902  3.7160  684.527    67.536   709.601    110.782  669.696    85.199   75.668  6.0853  73.798  4.7838  1.870094       7.740485 
1 1 1 -8  -27 46 o 79.319  5.4641  777.055    104.521  638.077    162.188  875.771    136.690  70.451  9.7491  83.843  6.7770  -13.39191      11.87320 
1 1 1 -8  -27 47 o 31.036  7.6818  124.812    57.537   67.259     95.325   157.796    72.165   27.000  10.365  34.780  8.5998  -7.779272      13.46781 
1 1 1 -8  -27 48 o 112.312 3.9044  1542.32    106.400  1614.41    168.930  1494.92    136.986  114.107 6.1238  110.265 5.1200  3.842361       7.982188 
1 1 1 -8  -27 49 o 88.216  3.9124  951.869    83.745   1043.58    139.990  900.757    104.508  91.561  6.3402  85.437  5.0638  6.123146       8.114229 
1 1 1 -8  -27 50 o 21.127  6.6468  55.010     38.005   168.770    75.337   16.177     44.016   35.859  8.7384  16.978  6.8754  18.88132       11.11897 
1 1 1 -8  -27 51 f 35.077  5.6577  155.673    46.515   173.114    91.361   149.570    54.044   36.149  10.052  34.099  6.7708  2.049923       12.11941 
1 1 1 -8  -27 52 o 110.389 5.6332  1511.05    150.384  1713.85    254.975  1402.87    186.223  115.586 9.1665  105.574 7.3147  10.01235       11.72731 
1 1 1 -8  -27 53 o 123.481 5.8837  1892.34    176.286  1842.37    295.172  1920.05    219.789  118.729 10.349  123.399 7.3743  -4.669449      12.70796 
1 1 1 -8  -27 54 o 36.933  7.3087  177.266    63.178   139.942    132.696  188.207    71.844   34.058  12.395  37.856  8.0682  -3.797905      14.78937 
1 1 1 -8  -27 55 o 32.678  6.2093  137.523    47.434   223.221    96.023   109.861    54.555   40.626  9.8444  28.916  7.6553  11.71023       12.47057 
1 1 1 -8  -27 56 o 75.481  4.2322  703.854    77.200   567.407    135.993  768.731    93.774   65.827  8.7296  78.643  4.9393  -12.81599      10.03014 
1 1 1 -8  -27 57 o 41.967  5.1650  221.937    51.485   49.352     105.274  276.194    59.026   25.933  10.584  46.842  5.2858  -20.90813      11.83040 
1 1 1 -8  -27 58 o 31.221  6.5471  127.425    48.012   179.873    101.143  112.169    54.550   36.025  10.752  29.052  7.6376  6.973038       13.18896 
1 1 1 -8  -27 59 o 61.345  5.4825  474.286    80.747   398.363    184.445  492.287    89.810   51.057  14.312  62.273  6.0189  -11.21514      15.52634 
1 1 1 -8  -27 60 o 77.822  4.8415  756.039    90.967   928.409    173.264  690.445    106.883  83.821  8.6430  73.789  6.0222  10.03230       10.53417 
1 1 1 -8  -27 61 o 22.485  10.254  -48.2396   123.834  -48.2396   123.834  0.0000     0.0000   22.485  10.254  ?       ?       0.000000       10.25364 
1 1 1 -8  -27 62 o 35.221  13.452  158.711    160.060  158.711    160.060  0.0000     0.0000   35.221  13.452  ?       ?       0.000000       13.45183 
1 1 1 -8  -27 63 o 31.440  8.4328  133.596    65.658   249.309    162.834  111.130    71.749   41.063  13.817  28.917  9.1371  12.14619       16.56489 
1 1 1 -8  -27 64 o 47.379  6.4106  289.150    71.805   264.395    178.877  293.906    78.399   41.869  14.473  47.513  7.0110  -5.644543      16.08185 
1 1 1 -8  -27 65 o 14.700  6.7349  -32.1469   54.252   -123.4175  132.709  -13.8331   59.446   20.661  9.8064  16.624  7.3801  4.036615       12.27315 
1 1 1 -8  -26 1  f 147.669 6.0852  2657.40    218.035  2657.40    218.035  0.0000     0.0000   147.669 6.0852  ?       ?       0.000000       6.085172 
1 1 1 -8  -26 2  o 99.297  5.5096  1204.11    132.225  1204.11    132.225  0.0000     0.0000   99.297  5.5096  ?       ?       0.000000       5.509649 
1 1 1 -8  -26 3  o 111.599 3.8592  1513.52    104.501  1446.51    150.870  1575.32    144.885  108.840 5.7330  113.772 5.2484  -4.932953      7.772584 
1 1 1 -8  -26 4  o 141.640 4.0857  2438.45    140.416  2605.72    203.126  2285.37    194.322  146.287 5.7226  136.989 5.8462  9.298157       8.180868 
1 1 1 -8  -26 5  o 163.096 4.9038  3235.67    194.062  3290.50    329.170  3206.46    240.256  163.864 8.3061  162.241 6.1031  1.623032       10.30719 
1 1 1 -8  -26 6  o 63.732  3.6378  495.089    56.022   511.021    84.718   482.708    74.681   64.569  5.4586  62.802  4.9408  1.766953       7.362573 
1 1 1 -8  -26 7  o 82.788  3.5838  832.657    71.990   844.091    106.434  823.015    97.738   83.119  5.3050  82.111  4.9285  1.008537       7.241112 
1 1 1 -8  -26 8  o 173.112 4.4229  3643.28    185.780  3790.14    265.729  3502.87    259.835  176.389 6.2087  169.561 6.3155  6.828247       8.856290 
1 1 1 -8  -26 9  o 297.195 6.4299  10762.48   463.671  11429.43   658.308  10105.89   653.182  305.663 8.8761  287.284 9.3704  18.37836       12.90697 
1 1 1 -8  -26 10 o 199.820 4.7827  4855.77    231.887  5062.90    330.782  4655.60    325.167  203.803 6.6891  195.409 6.8580  8.393097       9.579992 
1 1 1 -8  -26 11 o 176.794 4.4586  3799.95    191.263  4111.16    273.466  3501.94    267.602  183.720 6.1346  169.520 6.5059  14.19987       8.941991 
1 1 1 -8  -26 12 o 160.744 8.2990  3165.72    322.583  0.0000     0.0000   3165.72    322.583  ?       ?       160.744 8.2990  0.000000       8.299023 
1 1 1 -8  -26 13 o 159.413 5.9221  3094.46    229.067  0.0000     0.0000   3094.46    229.067  ?       ?       159.413 5.9221  0.000000       5.922061 
1 1 1 -8  -26 14 o 165.893 4.3194  3345.38    173.866  3487.53    248.573  3209.21    243.280  169.221 6.0539  162.316 6.1770  6.905502       8.649023 
1 1 1 -8  -26 15 o 30.336  4.4773  114.285    31.966   63.070     45.556   163.956    44.864   22.951  7.2838  36.339  5.2397  -13.38749      8.972612 
1 1 1 -8  -26 16 o 119.688 3.7027  1740.46    107.532  1739.83    152.939  1741.07    151.221  119.578 5.2711  119.625 5.2099  -0.4666901E-01 7.411304 
1 1 1 -8  -26 17 o 26.793  4.8599  90.008     30.431   90.969     43.114   89.055     42.959   26.796  6.6601  26.519  6.6798  0.2775230      9.432702 
1 1 1 -8  -26 18 o 117.760 3.6891  1684.82    105.411  1654.50    150.139  1714.29    148.031  116.607 5.3065  118.706 5.1394  -2.099220      7.387314 
1 1 1 -8  -26 19 o 31.568  6.5322  125.914    48.385   94.487     79.854   144.147    60.822   28.730  9.6758  33.705  7.6164  -4.974936      12.31385 
1 1 1 -8  -26 20 o 169.043 6.1297  3480.47    251.419  3361.33    364.786  3588.28    347.000  165.486 9.1199  171.355 8.3458  -5.868225      12.36230 
1 1 1 -8  -26 21 o 165.977 6.0394  3354.94    243.221  3550.90    353.444  3178.67    335.213  170.214 8.5855  161.017 8.6112  9.196411       12.15987 
1 1 1 -8  -26 22 o 156.648 5.8767  2987.80    223.367  2979.12    325.112  2995.55    307.409  155.863 8.6302  156.387 8.1292  -0.5242157     11.85603 
1 1 1 -8  -26 23 o 180.347 6.3634  3962.68    278.458  3822.17    402.948  4091.11    385.248  176.429 9.4470  182.915 8.6802  -6.486237      12.82931 
1 1 1 -8  -26 24 o 196.997 4.7293  4719.18    226.055  4759.72    320.894  4679.24    318.501  197.610 6.6925  195.931 6.6995  1.678818       9.469597 
1 1 1 -8  -26 25 o 302.060 6.4749  11117.97   474.557  10518.14   678.705  11691.74   663.794  293.048 9.5450  309.171 8.8485  -16.12231      13.01554 
1 1 1 -8  -26 26 o 162.227 4.0898  3198.49    160.988  3504.30    235.141  2928.67    220.871  169.664 5.7118  155.089 5.8694  14.57439       8.189912 
1 1 1 -8  -26 27 o 81.868  3.3543  814.110    66.631   726.246    100.858  882.158    88.760   77.061  5.4287  85.079  4.3137  -8.018448      6.933884 
1 1 1 -8  -26 28 o 65.593  3.4759  524.117    55.124   429.678    85.223   592.051    72.281   59.094  6.0280  69.657  4.2976  -10.56292      7.403122 
1 1 1 -8  -26 29 o 176.894 4.2968  3803.86    184.427  4460.20    269.488  3225.68    252.936  191.391 5.8030  162.698 6.4072  28.69290       8.644468 
1 1 1 -8  -26 30 o 139.498 3.9302  2364.86    133.029  2272.15    197.001  2442.58    180.363  136.587 5.9442  141.678 5.2466  -5.090836      7.928484 
1 1 1 -8  -26 31 o 108.886 5.0722  1442.55    134.010  1321.39    203.354  1535.56    178.170  103.664 8.1503  112.040 6.5827  -8.376068      10.47666 
1 1 1 -8  -26 32 f 109.155 5.0940  1449.82    134.917  1349.81    207.844  1522.65    177.363  104.753 8.2438  111.560 6.5814  -6.806267      10.54874 
1 1 1 -8  -26 33 o 150.101 5.7185  2744.05    208.273  2681.78    311.978  2794.11    279.737  147.753 8.7409  151.041 7.6580  -3.287781      11.62103 
1 1 1 -8  -26 34 o 238.441 7.6557  6947.96    442.922  6647.52    645.861  7214.72    608.572  232.184 11.464  242.247 10.354  -10.06326      15.44744 
1 1 1 -8  -26 35 o 64.870  3.6122  512.984    56.631   556.574    90.361   484.789    72.673   67.366  5.5783  62.937  4.7950  4.428894       7.355905 
1 1 1 -8  -26 36 o 110.975 3.7133  1497.02    99.987   1433.09    152.585  1545.13    132.367  108.271 5.8296  112.668 4.8419  -4.396751      7.578157 
1 1 1 -8  -26 37 o 150.518 4.1168  2755.72    150.354  2770.42    224.801  2743.82    202.248  150.679 6.1487  150.033 5.5556  0.6459198      8.286783 
1 1 1 -8  -26 38 o 111.514 3.7149  1512.19    100.517  1756.32    153.452  1328.71    133.029  120.038 5.2685  104.275 5.2749  15.76257       7.455346 
1 1 1 -8  -26 39 o 86.071  3.7597  901.183    78.519   729.422    121.345  1024.90    102.985  76.951  6.5616  91.607  4.6484  -14.65592      8.041338 
1 1 1 -8  -26 40 o 50.041  4.0811  306.900    49.122   319.904    79.641   298.916    62.406   50.691  6.6343  49.207  5.3111  1.484493       8.498278 
1 1 1 -8  -26 41 o 47.067  4.1385  271.944    46.783   367.103    74.506   210.003    60.111   54.498  5.7196  40.955  6.2467  13.54293       8.469674 
1 1 1 -8  -26 42 o 34.173  5.1335  145.818    41.250   207.627    69.021   111.476    51.449   40.477  7.2962  29.520  7.2383  10.95614       10.27750 
1 1 1 -8  -26 43 o 105.075 3.7504  1345.37    95.619   1422.34    148.547  1290.92    124.947  107.581 5.7111  102.749 5.0117  4.831619       7.598268 
1 1 1 -8  -26 44 o 123.295 3.9383  1854.33    117.820  1861.26    181.832  1849.31    154.685  123.063 6.0895  122.884 5.1879  0.1791992      7.999732 
1 1 1 -8  -26 45 o 214.920 5.1496  5661.68    268.544  5743.31    397.723  5593.29    364.064  215.162 7.6182  212.668 7.0552  2.494385       10.38330 
1 1 1 -8  -26 46 o 116.331 5.5845  1663.66    157.632  1709.95    239.322  1628.19    209.494  116.648 8.5143  114.213 7.6029  2.434944       11.41483 
1 1 1 -8  -26 47 o 158.811 6.2743  3115.40    241.775  3195.16    359.053  3049.22    327.029  158.865 9.3559  155.626 8.6952  3.239136       12.77263 
1 1 1 -8  -26 48 o 106.937 5.5842  1412.29    144.392  1391.78    221.473  1427.46    190.428  104.808 8.7901  106.811 7.3932  -2.002625      11.48584 
1 1 1 -8  -26 49 o 20.875  6.6187  53.339     37.624   58.203     71.985   51.511     44.131   24.247  9.0746  21.096  7.1926  3.151503       11.57935 
1 1 1 -8  -26 50 o 28.376  6.2267  103.447    41.695   35.643     83.372   126.061    48.148   23.481  9.4787  31.322  6.5462  -7.840971      11.51947 
1 1 1 -8  -26 51 o 26.404  6.6841  89.987     42.864   86.975     84.740   91.023     49.689   27.749  9.9307  26.588  7.4199  1.160538       12.39650 
1 1 1 -8  -26 52 o 79.082  4.0438  768.030    77.335   772.890    134.314  765.619    94.587   78.344  7.1442  78.713  4.9781  -0.3690872     8.707536 
1 1 1 -8  -26 53 o 116.911 5.7855  1693.58    164.120  1770.45    276.668  1651.85    203.862  116.911 9.8447  114.506 7.3767  2.404968       12.30176 
1 1 1 -8  -26 54 o 62.844  5.8613  494.451    88.345   422.756    167.708  521.987    103.935  55.058  12.797  64.262  6.7673  -9.204205      14.47603 
1 1 1 -8  -26 55 o 13.383  5.9689  -14.2673   39.348   95.117     83.163   -45.8180   44.664   28.136  9.8604  12.359  5.8124  15.77711       11.44603 
1 1 1 -8  -26 56 o 64.855  4.3323  520.340    67.783   516.984    125.600  521.719    80.515   63.013  8.4257  64.677  5.1738  -1.664227      9.887399 
1 1 1 -8  -26 57 o 37.203  5.7738  176.548    50.430   154.180    102.342  183.721    57.954   33.896  10.934  37.712  6.5723  -3.815639      12.75740 
1 1 1 -8  -26 58 f 10.338  4.9606  -50.2552   35.962   -13.4826   87.398   -57.7503   39.457   20.401  9.0077  10.688  5.1456  9.712948       10.37381 
1 1 1 -8  -26 59 o 10.710  5.2455  -86.6152   45.955   308.208    127.344  -145.7326  49.276   46.622  11.361  9.5097  4.7800  37.11244       12.32563 
1 1 1 -8  -26 60 o 108.087 5.7007  1469.28    148.979  1404.41    215.711  1528.45    206.001  103.302 8.6866  108.537 7.8758  -5.235062      11.72542 
1 1 1 -8  -26 61 o 80.049  9.9810  867.939    189.652  867.939    189.652  0.0000     0.0000   80.049  9.9810  ?       ?       0.000000       9.981013 
1 1 1 -8  -26 62 o 72.120  6.8578  667.123    118.561  860.348    209.847  576.523    143.693  78.607  11.329  65.561  9.2930  13.04588       14.65312 
1 1 1 -8  -26 63 o 62.752  7.2603  509.518    108.505  451.724    197.554  534.484    129.843  54.161  14.670  63.492  8.6536  -9.330338      17.03206 
1 1 1 -8  -26 64 o 40.060  6.9778  209.889    65.360   326.383    152.803  183.802    72.309   46.871  12.987  36.941  8.2729  9.929962       15.39857 
1 1 1 -8  -26 65 o 15.564  7.0241  -23.3505   56.297   -50.8274   139.004  -17.9593   61.573   23.676  10.823  16.688  7.4530  6.988329       13.14075 
1 1 1 -8  -25 1  o 55.426  5.7192  377.994    75.810   377.994    75.810   0.0000     0.0000   55.426  5.7192  ?       ?       0.000000       5.719151 
1 1 1 -8  -25 2  o 120.582 3.9261  1766.93    114.870  1693.10    165.464  1835.62    159.596  117.921 5.7829  122.815 5.3556  -4.894402      7.881914 
1 1 1 -8  -25 3  o 83.433  4.6631  849.088    94.022   601.896    157.816  985.104    117.066  69.455  9.6230  89.811  5.3971  -20.35600      11.03317 
1 1 1 -8  -25 4  o 51.323  3.7658  321.751    46.568   361.006    71.417   292.716    61.421   54.186  5.5085  48.766  5.2748  5.420010       7.626744 
1 1 1 -8  -25 5  o 202.654 4.8824  4994.79    240.078  5268.38    342.732  4731.22    336.400  207.891 6.7945  196.973 7.0386  10.91736       9.782957 
1 1 1 -8  -25 6  o 151.212 4.1502  2778.91    152.272  2961.58    218.745  2607.16    212.099  155.973 5.7799  146.326 5.9738  9.647263       8.312306 
1 1 1 -8  -25 7  f 44.624  3.8697  243.770    41.485   237.710    62.578   248.521    55.411   43.772  6.0540  44.903  5.1809  -1.130337      7.968225 
1 1 1 -8  -25 8  o 95.749  3.5989  1113.74    83.612   1194.98    121.894  1041.54    114.906  98.984  5.0924  92.388  5.1462  6.596596       7.239945 
1 1 1 -8  -25 9  o 267.191 5.8900  8691.95    381.857  9078.65    542.417  8311.99    537.670  272.617 8.2000  260.787 8.4970  11.83038       11.80846 
1 1 1 -8  -25 10 o 240.053 5.3719  7011.82    312.893  7358.36    444.961  6672.85    440.075  245.575 7.4675  233.804 7.7573  11.77113       10.76750 
1 1 1 -8  -25 11 o 128.022 5.3714  1994.31    166.856  0.0000     0.0000   1994.31    166.856  ?       ?       128.022 5.3714  0.000000       5.371447 
1 1 1 -8  -25 12 o 135.167 5.4515  2223.33    178.794  0.0000     0.0000   2223.33    178.794  ?       ?       135.167 5.4515  0.000000       5.451515 
1 1 1 -8  -25 13 o 217.188 5.0395  5737.77    265.576  6021.86    377.761  5460.15    373.439  222.229 7.0057  211.569 7.2745  10.65990       10.09944 
1 1 1 -8  -25 14 o 213.276 4.9851  5532.67    257.974  5788.65    366.158  5280.37    363.517  217.894 6.9256  208.066 7.2004  9.827728       9.990514 
1 1 1 -8  -25 15 o 107.356 3.5874  1400.13    93.449   1383.74    132.978  1416.11    131.351  106.651 5.1386  107.898 5.0171  -1.246941      7.181712 
1 1 1 -8  -25 16 o 101.045 3.5201  1240.29    86.305   1299.83    122.852  1182.28    121.270  103.380 4.8976  98.454  5.0938  4.925789       7.066374 
1 1 1 -8  -25 17 o 101.440 3.5313  1250.02    86.919   1292.83    123.774  1208.37    122.087  103.099 4.9478  99.539  5.0717  3.559395       7.085382 
1 1 1 -8  -25 18 o 109.086 3.6030  1445.63    95.366   1531.05    135.828  1362.59    133.930  112.194 4.9895  105.829 5.2156  6.364426       7.217878 
1 1 1 -8  -25 19 o 208.864 4.9010  5305.63    248.380  5250.68    352.341  5359.91    350.193  207.513 6.9977  209.678 6.8832  -2.164444      9.815593 
1 1 1 -8  -25 20 f 208.651 5.6504  5299.05    286.065  5045.46    352.787  5785.89    488.812  203.397 7.1483  217.425 9.2655  -14.02744      11.70248 
1 1 1 -8  -25 21 o 125.857 5.3467  1927.35    163.277  1946.25    239.604  1910.96    223.097  126.016 7.8757  124.940 7.3921  1.076721       10.80133 
1 1 1 -8  -25 22 o 140.240 5.5600  2393.55    189.195  2347.27    276.048  2434.55    259.815  138.373 8.2595  141.039 7.6204  -2.665283      11.23786 
1 1 1 -8  -25 23 f 242.130 7.6246  7154.72    447.947  7676.01    642.946  6663.00    624.446  250.111 10.594  232.909 11.050  17.20287       15.30799 
1 1 1 -8  -25 24 o 259.459 8.1139  8221.71    510.815  7967.78    731.558  8463.32    713.581  254.467 11.848  262.455 11.205  -7.988251      16.30768 
1 1 1 -8  -25 25 o 96.921  3.4256  1141.00    80.560   1011.96    119.818  1247.45    108.831  91.032  5.4496  101.301 4.4276  -10.26942      7.021568 
1 1 1 -8  -25 26 o 45.242  3.6244  250.249    39.454   298.024    61.928   217.612    51.186   49.215  5.2677  41.986  5.1311  7.229340       7.353708 
1 1 1 -8  -25 27 o 145.003 3.9169  2554.85    137.810  2483.95    202.320  2616.21    188.228  142.841 5.8374  146.640 5.2902  -3.798752      7.877890 
1 1 1 -8  -25 28 o 199.633 4.6980  4845.92    227.565  4778.29    329.804  4907.38    314.400  197.982 6.8654  200.694 6.4563  -2.712112      9.424319 
1 1 1 -8  -25 29 o 43.592  4.0153  232.873    41.993   242.544    67.494   226.765    53.640   44.151  6.4943  42.852  5.2699  1.298927       8.363449 
1 1 1 -8  -25 30 o 83.667  3.4722  850.341    70.490   896.967    107.876  815.599    93.119   85.706  5.2122  81.762  4.7138  3.944092       7.027536 
1 1 1 -8  -25 31 o 116.576 3.7157  1651.18    105.103  1480.57    157.402  1788.44    141.191  110.109 5.9131  121.266 4.7985  -11.15704      7.615136 
1 1 1 -8  -25 32 o 66.280  5.0580  537.542    80.731   448.938    127.535  596.785    104.284  59.910  9.0559  69.715  6.2306  -9.804565      10.99227 
1 1 1 -8  -25 33 o 91.647  4.9069  1024.64    108.719  1224.64    170.758  888.289    140.987  99.942  7.0875  85.067  6.8897  14.87513       9.884422 
1 1 1 -8  -25 34 f 323.081 9.8235  12806.25   770.091  11935.79   1109.47  13615.53   1069.77  309.744 14.762  331.599 13.296  -21.85574      19.86692 
1 1 1 -8  -25 35 o 139.875 5.5309  2382.55    187.717  2588.50    286.309  2227.27    248.608  145.253 8.1565  134.801 7.6321  10.45155       11.17041 
1 1 1 -8  -25 36 o 173.477 4.3784  3660.21    184.300  3814.51    272.650  3530.38    250.088  176.852 6.3538  170.179 6.0565  6.673157       8.777925 
1 1 1 -8  -25 37 o 161.163 4.2435  3159.14    165.940  3295.04    246.494  3046.50    224.407  164.360 6.1808  158.084 5.8504  6.276016       8.510557 
1 1 1 -8  -25 38 o 108.394 3.7658  1428.57    99.044   1403.66    150.898  1447.41    131.280  107.126 5.8272  109.019 4.9629  -1.893356      7.654211 
1 1 1 -8  -25 39 o 54.143  4.0356  358.621    52.637   376.691    84.580   347.198    67.246   55.157  6.4411  53.108  5.2888  2.048874       8.334260 
1 1 1 -8  -25 40 o 173.215 4.4992  3654.63    189.099  3589.00    281.020  3708.93    255.631  171.222 6.7642  174.216 6.0473  -2.994553      9.073231 
1 1 1 -8  -25 41 o 64.953  3.7777  515.205    59.279   591.944    94.992   466.259    75.864   69.369  5.6938  61.602  5.1219  7.766949       7.658563 
1 1 1 -8  -25 42 o 117.675 3.8363  1686.36    109.539  1718.36    168.257  1662.81    144.308  118.490 5.8523  116.683 5.0971  1.807678       7.760769 
1 1 1 -8  -25 43 o 32.597  4.9798  132.766    38.137   174.331    66.070   111.997    46.703   36.941  7.6240  29.619  6.6602  7.321775       10.12345 
1 1 1 -8  -25 44 o 28.937  5.5480  105.976    37.536   103.704    64.396   107.145    46.196   28.704  8.5824  28.938  6.7097  -0.2342587     10.89395 
1 1 1 -8  -25 45 o 146.707 4.2030  2628.13    149.614  2642.52    228.179  2617.27    198.156  146.480 6.4200  146.042 5.5920  0.4383850      8.513875 
1 1 1 -8  -25 46 o 54.452  5.7274  368.345    74.538   363.405    120.249  371.427    94.987   52.981  9.7119  54.265  7.4076  -1.283581      12.21449 
1 1 1 -8  -25 47 o 31.997  7.7221  132.408    59.267   77.702     100.780  161.331    73.278   28.284  10.705  35.213  8.6410  -6.928984      13.75711 
1 1 1 -8  -25 48 o 95.470  5.5166  1125.21    127.246  1102.21    195.543  1142.11    167.581  93.285  8.7410  95.581  7.2806  -2.296478      11.37596 
1 1 1 -8  -25 49 o 18.732  6.4172  40.009     35.131   -84.4490   66.781   87.631     41.309   14.441  6.8833  26.098  6.5373  -11.65689      9.492973 
1 1 1 -8  -25 50 o 56.253  4.2773  389.701    57.945   331.539    104.911  415.232    69.509   50.606  8.8672  57.925  4.9943  -7.319851      10.17691 
1 1 1 -8  -25 51 o 48.639  4.6239  292.848    53.914   331.666    99.915   276.902    64.036   50.729  8.4120  47.031  5.7299  3.697678       10.17806 
1 1 1 -8  -25 52 o 50.118  4.5786  310.852    55.064   273.860    103.608  325.414    65.004   45.538  9.6753  51.116  5.3189  -5.578621      11.04097 
1 1 1 -8  -25 53 o 18.389  7.3623  22.315     49.848   104.112    112.200  2.1996     55.641   30.716  11.362  17.476  7.4505  13.24012       13.58688 
1 1 1 -8  -25 54 o 85.832  5.7013  916.879    118.061  827.954    212.387  956.644    142.026  78.632  11.469  87.241  6.7623  -8.608711      13.31443 
1 1 1 -8  -25 55 o 24.012  6.8834  74.187     42.176   -25.9835   89.829   102.513    47.768   20.220  9.0183  28.033  7.0341  -7.813225      11.43712 
1 1 1 -8  -25 56 o 49.955  4.7570  310.805    56.964   234.727    112.921  336.773    65.973   41.285  11.053  51.855  5.3186  -10.57009      12.26592 
1 1 1 -8  -25 57 o 99.920  4.1996  1229.60    101.818  1250.19    174.374  1218.95    125.419  99.034  7.3082  98.947  5.2426  0.8782196E-01  8.994174 
1 1 1 -8  -25 58 f 21.212  7.1798  54.133     43.972   -79.3318   94.935   90.587     49.615   18.303  8.5648  26.280  7.4429  -7.976336      11.34695 
1 1 1 -8  -25 59 o 68.209  4.8025  579.888    78.975   394.742    141.308  663.986    95.237   53.025  11.327  72.744  5.4349  -19.71922      12.56347 
1 1 1 -8  -25 60 o 69.479  10.806  664.819    176.255  664.819    176.255  0.0000     0.0000   69.479  10.806  ?       ?       0.000000       10.80619 
1 1 1 -8  -25 61 o 27.642  11.816  34.671     140.609  34.671     140.609  0.0000     0.0000   27.642  11.816  ?       ?       0.000000       11.81577 
1 1 1 -8  -25 62 o 28.907  9.7661  107.798    81.353   109.290    155.049  107.230    95.564   32.388  12.978  29.409  10.544  2.978209       16.72127 
1 1 1 -8  -25 63 o 100.422 6.5530  1281.49    158.798  1516.02    267.941  1154.52    197.155  105.566 10.604  93.637  8.7800  11.92877       13.76697 
1 1 1 -8  -25 64 f 25.789  8.2566  85.993     58.440   -18.3723   141.927  107.300    64.129   25.341  11.317  28.402  8.5810  -3.060966      14.20200 
1 1 1 -8  -25 65 o 20.356  7.9306  37.518     56.433   -67.5788   146.788  55.746     61.131   23.794  10.966  22.576  8.3796  1.217350       13.80146 
1 1 1 -8  -24 1  o 374.322 7.6950  17102.92   698.908  16832.08   992.422  17369.42   984.436  370.154 11.050  376.126 10.787  -5.971985      15.44179 
1 1 1 -8  -24 2  o 160.369 4.2581  3125.91    165.690  3389.02    238.671  2881.14    230.202  166.842 5.8956  153.807 6.1683  13.03426       8.532684 
1 1 1 -8  -24 3  o 137.540 4.0258  2298.79    134.351  2432.46    194.304  2176.33    185.973  141.370 5.6645  133.715 5.7320  7.655029       8.058678 
1 1 1 -8  -24 4  o 283.567 8.6042  9827.47    592.009  9993.91    836.083  9660.11    838.376  284.940 12.093  280.059 12.337  4.881226       17.27575 
1 1 1 -8  -24 5  o 225.249 5.9775  6177.39    326.698  6214.17    404.228  6108.13    554.753  225.709 7.3810  223.218 10.243  2.491180       12.62490 
1 1 1 -8  -24 6  o 63.177  3.5847  486.406    54.725   506.900    82.303   470.164    73.267   64.330  5.3205  61.985  4.9116  2.344711       7.241019 
1 1 1 -8  -24 7  o 139.850 3.9660  2376.51    134.580  2512.89    193.633  2249.06    187.180  143.698 5.5534  135.937 5.6749  7.761826       7.940110 
1 1 1 -8  -24 8  o 254.904 5.7086  7908.71    353.075  8346.50    501.750  7479.30    496.932  261.473 7.9086  247.443 8.2767  14.02939       11.44766 
1 1 1 -8  -24 9  o 84.841  3.5277  874.368    72.621   938.261    107.150  820.082    98.766   87.684  5.0577  81.963  4.9899  5.720345       7.104949 
1 1 1 -8  -24 10 o 219.693 7.1791  5886.17    382.694  0.0000     0.0000   5886.17    382.694  ?       ?       219.693 7.1791  0.000000       7.179117 
1 1 1 -8  -24 11 o 160.589 5.8888  3139.72    229.458  0.0000     0.0000   3139.72    229.458  ?       ?       160.589 5.8888  0.000000       5.888771 
1 1 1 -8  -24 12 o 85.318  4.1564  884.651    86.044   1104.39    172.548  811.924    99.267   94.840  7.5610  81.547  5.0416  13.29233       9.087693 
1 1 1 -8  -24 13 o 150.993 4.1076  2770.70    150.492  2940.30    215.412  2608.99    210.336  155.423 5.7120  146.387 5.9217  9.036209       8.227616 
1 1 1 -8  -24 14 o 165.109 4.2558  3313.33    170.497  3283.74    242.222  3342.38    240.031  164.215 6.0790  165.686 5.9706  -1.470459      8.520724 
1 1 1 -8  -24 15 o 76.605  3.3844  712.755    62.907   714.599    89.895   710.984    88.062   76.503  4.8681  76.317  4.7797  0.1858673      6.822282 
1 1 1 -8  -24 16 o 98.917  3.5064  1188.53    84.158   1117.40    119.803  1257.82    118.247  95.703  5.1784  101.706 4.7916  -6.002373      7.055166 
1 1 1 -8  -24 17 o 74.701  3.3772  677.776    61.213   607.001    87.634   745.211    85.541   70.453  5.1623  78.164  4.5297  -7.710960      6.867911 
1 1 1 -8  -24 18 o 168.588 4.3013  3454.54    175.952  3509.21    249.889  3400.79    247.792  169.761 6.0666  167.114 6.1110  2.647522       8.610906 
1 1 1 -8  -24 19 o 141.767 3.9621  2442.14    136.290  2403.05    193.638  2480.52    191.859  140.511 5.6796  142.770 5.5384  -2.258148      7.932918 
1 1 1 -8  -24 20 o 83.772  3.4144  852.395    69.404   823.898    99.137   879.786    97.195   82.154  4.9970  84.930  4.7353  -2.775970      6.884296 
1 1 1 -8  -24 21 o 164.422 4.2114  3285.72    168.016  3457.58    238.815  3117.28    236.425  168.528 5.8402  159.996 6.0900  8.531982       8.437788 
1 1 1 -8  -24 22 o 218.637 7.0977  5828.78    376.537  6114.12    541.421  5561.49    524.012  223.372 9.9895  213.006 10.139  10.36595       14.23322 
1 1 1 -8  -24 23 o 90.576  4.9204  1000.64    107.732  965.193    160.052  1030.01    145.674  88.633  7.5129  91.708  6.5904  -3.075768      9.993894 
1 1 1 -8  -24 24 o 245.865 7.7872  7377.96    464.564  7086.76    665.499  7654.73    648.804  240.138 11.421  249.770 10.706  -9.631561      15.65434 
1 1 1 -8  -24 25 o 136.108 5.4550  2254.11    180.153  2450.85    262.953  2080.08    247.315  141.514 7.6868  130.310 7.8586  11.20375       10.99294 
1 1 1 -8  -24 26 o 53.856  3.4527  353.744    44.881   358.733    69.618   350.197    58.710   54.035  5.3815  53.478  4.5684  0.5573959      7.059083 
1 1 1 -8  -24 27 o 210.557 4.8500  5391.11    247.785  5527.43    358.243  5266.09    343.088  212.946 6.9334  207.870 6.8022  5.076691       9.712973 
1 1 1 -8  -24 28 o 275.113 5.9822  9214.77    399.334  8741.69    572.862  9661.96    556.961  267.405 8.8291  281.285 8.1605  -13.87943      12.02273 
1 1 1 -8  -24 29 o 147.744 3.9852  2652.39    142.865  2585.14    209.996  2710.33    194.927  145.719 5.9392  149.252 5.3825  -3.533142      8.015361 
1 1 1 -8  -24 30 o 148.360 3.9888  2674.62    143.590  2805.67    211.532  2562.63    195.544  151.822 5.7422  145.113 5.5536  6.709137       7.988415 
1 1 1 -8  -24 31 o 358.887 7.4258  15713.63   646.646  15777.39   924.294  15652.51   905.002  358.570 10.624  357.217 10.441  1.352966       14.89568 
1 1 1 -8  -24 32 o 11.474  5.1043  -11.1853   28.579   -92.1364   50.379   27.227     34.704   11.475  5.5923  17.042  6.3159  -5.566987      8.435903 
1 1 1 -8  -24 33 o 106.951 5.0344  1391.47    130.645  1586.19    202.939  1253.67    170.728  113.777 7.3911  101.152 6.9991  12.62449       10.17917 
1 1 1 -8  -24 34 o 331.424 9.9577  13471.62   800.765  13025.33   1154.09  13885.95   1111.99  323.837 14.688  334.877 13.685  -11.04025      20.07506 
1 1 1 -8  -24 35 o 105.752 4.9936  1360.68    128.134  1867.49    202.211  1020.64    165.631  123.560 6.7705  91.114  7.5602  32.44603       10.14871 
1 1 1 -8  -24 36 o 78.491  3.6230  748.633    69.001   780.614    107.441  726.183    90.019   79.870  5.5791  77.106  4.8360  2.763214       7.383254 
1 1 1 -8  -24 37 o 205.484 4.9275  5138.96    245.682  5056.86    359.747  5210.71    336.328  203.453 7.2873  206.634 6.7081  -3.181137      9.904736 
1 1 1 -8  -24 38 o 67.143  3.7710  549.774    61.187   527.744    96.367   564.654    79.200   65.495  6.1354  67.938  4.8361  -2.442741      7.812256 
1 1 1 -8  -24 39 f 206.395 4.9769  5188.63    249.242  5052.94    365.500  5306.58    340.762  203.189 7.4135  208.384 6.7394  -5.195297      10.01897 
1 1 1 -8  -24 40 o 100.479 3.7059  1227.94    90.351   1347.03    139.962  1142.86    118.302  104.936 5.5163  96.701  5.0595  8.235611       7.485183 
1 1 1 -8  -24 41 f 69.866  3.7192  595.585    62.822   524.841    101.213  639.921    80.125   65.172  6.4866  72.323  4.5897  -7.151009      7.946165 
1 1 1 -8  -24 42 o 95.463  3.7007  1109.25    85.720   1133.07    134.702  1093.03    111.124  96.081  5.8052  94.527  4.8614  1.553925       7.571853 
1 1 1 -8  -24 43 o 132.381 4.0000  2135.43    128.486  2242.46    196.616  2055.65    169.743  135.292 5.9894  129.653 5.3957  5.638992       8.061391 
1 1 1 -8  -24 44 o 59.369  3.9216  431.502    56.173   420.118    92.726   438.102    70.604   58.073  6.7037  59.670  4.9203  -1.597076      8.315609 
1 1 1 -8  -24 45 o 28.726  5.8309  104.871    39.253   92.429     69.199   110.774    47.664   27.624  8.9975  29.406  6.8136  -1.781830      11.28634 
1 1 1 -8  -24 46 o 41.914  4.6189  217.424    46.195   162.886    78.932   245.835    56.970   35.416  9.1278  44.451  5.3924  -9.035091      10.60158 
1 1 1 -8  -24 47 f 64.164  5.6870  510.086    87.622   421.427    139.608  567.709    112.551  56.836  10.510  67.377  6.9861  -10.54115      12.62044 
1 1 1 -8  -24 48 o 43.149  6.7174  235.599    68.041   127.610    113.446  296.269    85.032   32.901  11.517  48.278  7.5024  -15.37697      13.74535 
1 1 1 -8  -24 49 o 38.959  4.8268  188.937    44.651   161.191    79.497   201.724    53.968   35.104  9.2159  40.082  5.7107  -4.977215      10.84176 
1 1 1 -8  -24 50 o 47.440  4.6860  278.625    53.235   204.171    100.412  307.734    62.786   39.273  10.380  49.751  5.2819  -10.47827      11.64680 
1 1 1 -8  -24 51 o 34.726  5.8565  152.773    47.591   163.173    89.135   148.627    56.285   35.257  9.9729  33.968  7.0596  1.289154       12.21866 
1 1 1 -8  -24 52 o 18.379  6.8364  32.862     40.731   5.1681     86.820   40.678     46.122   21.784  9.2976  19.927  7.2990  1.857016       11.82030 
1 1 1 -8  -24 53 o 16.778  7.0176  7.9970     47.839   -114.7548  108.338  37.728     53.318   18.892  8.9353  20.369  7.7676  -1.477680      11.83960 
1 1 1 -8  -24 54 o 58.188  6.2022  425.320    86.217   354.710    162.226  453.115    101.781  50.412  13.132  59.750  7.1633  -9.337914      14.95827 
1 1 1 -8  -24 55 o 12.236  5.6185  -26.5332   38.038   -5.8117    80.656   -32.4603   43.137   20.243  8.8025  12.859  5.9331  7.383629       10.61529 
1 1 1 -8  -24 56 o 45.436  5.1200  258.523    55.462   344.018    113.064  231.431    63.646   50.834  9.5163  42.599  6.3518  8.234985       11.44138 
1 1 1 -8  -24 57 o 55.871  4.6815  388.178    62.881   340.457    121.105  405.792    73.576   50.056  10.314  56.912  5.3924  -6.855999      11.63870 
1 1 1 -8  -24 58 o 23.363  7.0978  69.977     43.787   66.369     98.522   70.865     48.880   26.588  10.444  23.676  7.5481  2.911503       12.88623 
1 1 1 -8  -24 59 o 18.234  8.4754  -66.8301   90.485   -66.8301   90.485   0.0000     0.0000   18.234  8.4754  ?       ?       0.000000       8.475392 
1 1 1 -8  -24 60 o 48.931  12.690  348.468    151.931  348.468    151.931  0.0000     0.0000   48.931  12.690  ?       ?       0.000000       12.68966 
1 1 1 -8  -24 61 o 40.721  6.9219  215.761    65.945   152.093    146.410  231.965    73.861   34.628  12.945  42.019  7.5206  -7.390705      14.97124 
1 1 1 -8  -24 62 o 55.756  7.6600  405.026    100.892  415.875    185.511  400.468    120.227  52.516  14.212  54.517  9.4300  -2.000832      17.05610 
1 1 1 -8  -24 63 o 34.220  9.6943  160.069    84.159   175.434    174.668  155.423    96.043   36.925  14.064  33.751  10.558  3.174500       17.58624 
1 1 1 -8  -24 64 o 23.324  8.3307  63.356     59.606   -113.3967  152.095  95.429     64.789   22.936  10.767  27.089  8.6957  -4.153721      13.83991 
1 1 1 -8  -24 65 f 54.414  5.5184  374.611    71.851   400.673    152.107  367.125    81.519   52.528  12.172  53.487  6.4089  -0.9596100     13.75651 
1 1 1 -8  -23 1  o 126.441 3.8554  1942.41    118.282  1938.40    170.950  1946.08    163.830  126.210 5.5823  126.476 5.3385  -0.2662430     7.724082 
1 1 1 -8  -23 2  o 330.886 6.9673  13345.43   559.380  13873.24   794.320  12826.14   787.885  336.617 9.7251  323.569 10.035  13.04797       13.97446 
1 1 1 -8  -23 3  o 392.221 8.0460  18780.79   765.724  20071.79   1085.70  17503.04   1080.11  404.354 11.066  377.292 11.799  27.06256       16.17588 
1 1 1 -8  -23 4  o 57.510  3.5182  403.245    48.858   428.401    73.171   383.005    65.634   59.125  5.1519  55.910  4.8872  3.214485       7.101171 
1 1 1 -8  -23 5  o 527.926 10.566  34180.48   1353.42  36098.14   1916.28  32271.82   1911.78  539.877 14.629  509.859 15.453  30.01746       21.27913 
1 1 1 -8  -23 6  o 106.008 3.5780  1365.08    92.034   1501.87    132.932  1239.15    127.545  111.130 4.9299  100.793 5.2332  10.33691       7.189550 
1 1 1 -8  -23 7  o 118.427 3.7333  1703.85    107.278  1765.09    155.010  1647.56    148.620  120.452 5.3037  116.375 5.2633  4.076965       7.472055 
1 1 1 -8  -23 8  o 179.148 4.4971  3901.42    195.484  4184.31    279.204  3629.39    273.787  185.362 6.2078  172.598 6.5375  12.76404       9.015296 
1 1 1 -8  -23 9  o 260.680 8.1510  8297.71    515.566  0.0000     0.0000   8297.71    515.566  ?       ?       260.680 8.1510  0.000000       8.151026 
1 1 1 -8  -23 10 o 106.834 4.9895  1388.01    129.339  0.0000     0.0000   1388.01    129.339  ?       ?       106.834 4.9895  0.000000       4.989460 
1 1 1 -8  -23 11 o 95.384  4.9247  1109.25    113.588  0.0000     0.0000   1109.25    113.588  ?       ?       95.384  4.9247  0.000000       4.924686 
1 1 1 -8  -23 12 o 179.302 4.4556  3907.56    193.846  4308.68    276.586  3520.31    271.758  188.133 6.0590  170.000 6.5882  18.13309       8.950770 
1 1 1 -8  -23 13 o 201.246 4.7475  4923.60    231.821  4805.34    328.813  5040.48    326.884  198.596 6.8236  203.422 6.6227  -4.826004      9.509007 
1 1 1 -8  -23 14 o 98.614  3.4925  1181.12    83.569   1140.25    119.148  1220.69    117.244  96.699  5.0961  100.202 4.8222  -3.502975      7.015975 
1 1 1 -8  -23 15 o 144.143 3.9789  2524.31    139.163  2522.11    197.873  2526.47    195.757  143.975 5.6642  144.104 5.5986  -0.1291962     7.964089 
1 1 1 -8  -23 16 o 141.162 3.9258  2420.88    134.464  2439.11    191.189  2403.02    189.150  141.593 5.5649  140.543 5.5467  1.050125       7.857069 
1 1 1 -8  -23 17 o 96.743  3.4750  1136.72    81.571   1091.52    116.469  1180.23    114.279  94.605  5.0925  98.530  4.7801  -3.924561      6.984505 
1 1 1 -8  -23 18 o 207.086 4.8343  5213.90    242.910  5317.68    344.584  5111.39    342.480  208.919 6.7976  204.814 6.8914  4.104385       9.679817 
1 1 1 -8  -23 19 o 170.211 4.3061  3520.91    177.841  3560.42    252.641  3482.11    250.384  171.016 6.0884  169.124 6.1015  1.892410       8.619566 
1 1 1 -8  -23 20 o 89.648  3.4498  976.113    75.040   909.537    106.880  1040.83    105.381  86.327  5.1255  92.407  4.7156  -6.080269      6.964774 
1 1 1 -8  -23 21 o 108.958 3.4441  1441.94    91.055   1565.86    134.235  1336.32    123.925  113.479 4.8751  104.832 4.8719  8.646530       6.892201 
1 1 1 -8  -23 22 o 255.661 5.5792  7953.78    346.096  7816.68    496.105  8083.77    483.064  253.030 8.0805  257.385 7.7350  -4.354446      11.18588 
1 1 1 -8  -23 23 o 182.790 6.3503  4069.57    281.651  3921.10    405.966  4207.35    391.079  178.767 9.3921  185.541 8.6868  -6.773270      12.79344 
1 1 1 -8  -23 24 o 119.411 5.1872  1734.48    150.295  1815.26    220.117  1663.93    205.713  121.761 7.4867  116.581 7.3092  5.179901       10.46306 
1 1 1 -8  -23 25 o 121.433 5.2090  1793.69    153.482  2028.46    224.815  1588.75    210.048  128.780 7.2239  113.860 7.6473  14.91951       10.51981 
1 1 1 -8  -23 26 o 528.673 15.113  34653.92   1938.70  34321.07   2750.16  34982.73   2733.38  520.127 21.791  525.487 21.437  -5.359802      30.56845 
1 1 1 -8  -23 27 o 56.011  3.4224  382.456    46.289   266.009    72.217   463.660    60.307   46.265  6.6221  61.639  4.0549  -15.37407      7.764889 
1 1 1 -8  -23 28 o 398.571 8.1182  19394.35   785.109  19357.16   1118.89  19430.43   1101.93  396.888 11.619  397.725 11.418  -0.8371277     16.29028 
1 1 1 -8  -23 29 o 317.842 6.6334  12307.88   511.582  12590.61   732.310  12038.38   714.974  320.793 9.4082  313.683 9.3937  7.109802       13.29494 
1 1 1 -8  -23 30 o 127.199 3.7466  1965.56    115.634  1919.74    171.040  2004.13    156.933  125.602 5.6123  128.370 5.0383  -2.768600      7.542027 
1 1 1 -8  -23 31 o 295.788 6.3103  10655.59   452.889  10685.51   650.303  10627.41   631.093  295.594 9.0668  294.852 8.8211  0.7419128      12.64991 
1 1 1 -8  -23 32 o 343.051 7.1625  14350.15   596.197  14377.16   853.447  14324.41   833.217  342.459 10.271  341.907 10.044  0.5512390      14.36529 
1 1 1 -8  -23 33 o 50.411  5.4828  312.880    65.984   326.466    111.034  305.462    82.042   50.868  9.3402  49.570  7.0171  1.297443       11.68241 
1 1 1 -8  -23 34 o 266.272 8.3655  8664.77    540.484  8230.95    786.033  9053.84    744.385  258.351 12.539  271.370 11.305  -13.01852      16.88292 
1 1 1 -8  -23 35 o 223.659 7.1616  6102.84    388.649  6634.79    571.780  5646.00    529.875  232.555 10.133  214.516 10.180  18.03879       14.36355 
1 1 1 -8  -23 36 o 165.498 6.0644  3336.99    243.526  3455.68    365.118  3241.88    326.847  167.755 9.0029  162.614 8.3115  5.141251       12.25287 
1 1 1 -8  -23 37 o 136.116 4.0351  2252.29    133.269  2115.81    199.921  2361.44    178.787  131.743 6.2542  139.275 5.2905  -7.532318      8.191711 
1 1 1 -8  -23 38 o 65.162  3.8368  517.942    60.396   559.721    93.389   487.906    79.184   67.531  5.7543  63.087  5.2197  4.443943       7.769000 
1 1 1 -8  -23 39 o 89.705  3.7279  978.296    81.142   813.847    126.388  1093.60    105.832  81.401  6.4519  94.793  4.6013  -13.39241      7.924545 
1 1 1 -8  -23 40 o 183.792 4.5830  4112.77    204.378  4320.72    303.299  3939.80    276.611  188.012 6.6485  179.592 6.3477  8.419724       9.192167 
1 1 1 -8  -23 41 o 62.103  3.7673  470.919    56.501   692.362    90.540   329.681    72.308   75.198  4.9905  51.628  5.8768  23.56962       7.709871 
1 1 1 -8  -23 42 o 41.521  4.4448  212.454    44.085   240.915    76.925   198.536    53.795   43.687  7.5287  39.910  5.7185  3.776714       9.454273 
1 1 1 -8  -23 43 o 173.080 4.5015  3653.40    189.047  3703.19    283.218  3613.38    253.886  173.701 6.7198  171.758 6.0920  1.942749       9.070147 
1 1 1 -8  -23 44 o 109.269 3.8367  1454.81    101.724  1470.19    159.331  1444.23    132.167  109.338 6.0290  108.706 5.0108  0.6324768      7.839433 
1 1 1 -8  -23 45 o 24.835  6.3345  78.712     38.293   -64.9256   66.774   149.101    46.743   15.347  7.1818  34.408  5.8054  -19.06181      9.234780 
1 1 1 -8  -23 46 o 50.926  4.0829  318.568    50.027   364.072    84.012   293.568    62.271   53.978  6.5485  48.648  5.3647  5.330784       8.465340 
1 1 1 -8  -23 47 o 57.999  5.7583  417.494    79.965   450.351    126.296  395.509    103.311  59.337  9.0592  55.904  7.8311  3.432919       11.97478 
1 1 1 -8  -23 48 o 21.952  7.6229  54.356     49.649   89.097     87.151   37.664     60.410   28.256  10.075  21.258  8.2265  6.997747       13.00721 
1 1 1 -8  -23 49 o 25.162  6.5729  81.212     40.569   3.4256     91.303   100.348    45.285   22.281  9.5228  27.920  6.7574  -5.638721      11.67673 
1 1 1 -8  -23 50 o 63.276  4.2598  492.173    65.021   579.414    113.668  449.742    79.271   67.976  6.9913  60.210  5.4862  7.765514       8.886873 
1 1 1 -8  -23 51 o 37.272  5.6079  174.827    49.145   271.374    96.222   140.753    57.163   45.650  9.0069  32.999  7.3298  12.65103       11.61249 
1 1 1 -8  -23 52 o 26.359  6.9173  89.576     44.798   176.934    92.841   63.063     51.146   36.605  10.116  23.059  7.7438  13.54591       12.73977 
1 1 1 -8  -23 53 o 59.658  5.9691  444.737    85.247   730.874    160.276  331.860    100.667  75.455  8.9273  50.659  8.4901  24.79633       12.31983 
1 1 1 -8  -23 54 o 91.104  5.7163  1031.32    125.722  1186.81    222.776  958.659    152.291  95.706  9.7285  87.191  7.2645  8.514702       12.14150 
1 1 1 -8  -23 55 o 59.495  4.6010  438.156    65.905   325.368    125.812  480.810    77.369   49.013  10.864  62.182  5.1749  -13.16873      12.03390 
1 1 1 -8  -23 56 o 36.663  5.8770  171.122    50.516   135.173    109.156  180.920    56.985   32.727  11.306  37.542  6.4906  -4.815006      13.03697 
1 1 1 -8  -23 57 o 45.425  5.3047  259.267    57.367   155.168    118.066  291.439    65.636   34.469  11.764  48.060  5.7422  -13.59102      13.09109 
1 1 1 -8  -23 58 o 27.803  7.2163  101.642    49.107   110.504    111.560  99.512     54.690   30.650  11.331  27.518  7.8216  3.132010       13.76845 
1 1 1 -8  -23 59 o 31.426  11.511  120.461    114.718  120.461    114.718  0.0000     0.0000   31.426  11.511  ?       ?       0.000000       11.51115 
1 1 1 -8  -23 60 o 29.141  8.5262  112.925    64.119   85.993     152.374  118.720    70.682   31.135  12.723  29.856  9.0062  1.279560       15.58810 
1 1 1 -8  -23 61 o 89.492  5.0194  998.326    108.553  919.774    210.632  1026.74    126.671  82.040  10.847  90.355  5.8085  -8.315353      12.30455 
1 1 1 -8  -23 62 o 27.935  10.025  94.087     86.423   109.394    184.445  89.780     97.826   33.956  13.951  28.201  10.574  5.754919       17.50537 
1 1 1 -8  -23 63 o 17.668  7.9912  -31.3058   73.333   -24.5089   171.439  -32.8279   81.129   27.556  12.362  18.612  8.4128  8.944708       14.95317 
1 1 1 -8  -23 64 o 25.534  8.0940  84.115     56.267   32.194     140.702  93.999     61.390   27.576  11.804  26.852  8.4478  0.7231655      14.51582 
1 1 1 -8  -23 65 o 54.562  5.5326  376.493    72.233   364.978    149.995  379.970    82.419   49.971  12.424  54.470  6.3555  -4.499126      13.95496 
1 1 1 -8  -22 1  o 178.979 4.5281  3893.83    196.643  4075.47    281.446  3720.59    274.860  182.936 6.3406  174.775 6.4814  8.160812       9.067095 
1 1 1 -8  -22 2  o 172.960 4.4241  3636.04    185.666  3931.45    265.670  3354.03    259.580  179.700 6.0930  165.945 6.4468  13.75511       8.870476 
1 1 1 -8  -22 3  o 138.266 3.9803  2322.83    133.536  2470.51    191.975  2184.40    185.871  142.492 5.5525  133.975 5.7177  8.516525       7.970109 
1 1 1 -8  -22 4  o 409.319 8.3734  20463.21   831.629  21465.60   1178.45  19468.76   1173.77  417.932 11.621  397.776 12.161  20.15573       16.82090 
1 1 1 -8  -22 5  o 89.029  3.4888  962.737    75.365   1040.79    109.591  892.708    103.807  92.385  4.9064  85.530  5.0241  6.855614       7.022447 
1 1 1 -8  -22 6  o 137.519 3.9155  2297.69    130.651  2470.35    187.221  2133.78    182.411  142.498 5.4148  132.417 5.6773  10.08078       7.845513 
1 1 1 -8  -22 7  o 189.676 4.5923  4373.31    211.352  4720.15    301.315  4037.38    296.537  196.883 6.3074  182.043 6.7134  14.84006       9.211519 
1 1 1 -8  -22 8  f 159.692 5.8587  3103.43    227.012  0.0000     0.0000   3103.43    227.012  ?       ?       159.692 5.8587  0.000000       5.858716 
1 1 1 -8  -22 9  o 113.186 5.0373  1557.68    138.341  0.0000     0.0000   1557.68    138.341  ?       ?       113.186 5.0373  0.000000       5.037268 
1 1 1 -8  -22 10 o 224.980 7.2883  6168.26    397.864  0.0000     0.0000   6168.26    397.864  ?       ?       224.980 7.2883  0.000000       7.288315 
1 1 1 -8  -22 11 o 276.050 5.9537  9271.90    398.787  10012.21   565.672  8540.43    562.282  286.500 8.1372  264.492 8.7615  22.00769       11.95733 
1 1 1 -8  -22 12 o 121.941 3.6780  1805.95    108.824  1813.38    154.853  1798.70    152.965  122.125 5.2258  121.632 5.1830  0.4929581      7.360181 
1 1 1 -8  -22 13 o 383.193 7.8861  17901.14   733.239  18086.07   1038.02  17716.97   1035.90  384.242 11.134  380.271 11.227  3.971802       15.81141 
1 1 1 -8  -22 14 o 253.510 5.6029  7815.88    344.646  7860.32    488.451  7771.82    486.361  253.921 7.9279  252.486 7.9389  1.435272       11.21951 
1 1 1 -8  -22 15 o 129.359 3.7330  2032.32    117.170  2067.03    166.746  1998.47    164.679  130.389 5.2705  128.207 5.2937  2.181870       7.470050 
1 1 1 -8  -22 16 o 247.183 5.4910  7429.94    329.332  7325.54    466.898  7533.32    464.601  245.143 7.8495  248.617 7.7017  -3.474304      10.99681 
1 1 1 -8  -22 17 o 382.835 7.8786  17867.55   731.854  17693.13   1036.13  18041.20   1033.87  380.012 11.237  383.776 11.103  -3.764496      15.79680 
1 1 1 -8  -22 18 o 124.899 3.7312  1894.67    113.075  1855.43    160.654  1933.19    159.180  123.526 5.3601  126.096 5.2027  -2.570129      7.469805 
1 1 1 -8  -22 19 o 265.443 5.8078  8571.81    374.068  8632.15    530.220  8512.01    527.812  266.010 8.2148  264.149 8.2350  1.861176       11.63177 
1 1 1 -8  -22 20 o 216.316 4.8869  5688.34    256.500  5848.56    368.801  5538.23    356.980  219.118 6.9366  213.230 6.8997  5.887878       9.783808 
1 1 1 -8  -22 21 o 125.873 3.6148  1924.38    110.403  2195.73    161.777  1687.85    151.042  134.387 4.9613  117.807 5.2840  16.57964       7.248124 
1 1 1 -8  -22 22 o 149.883 3.9401  2729.25    143.291  2768.22    208.702  2694.50    197.086  150.834 5.7025  148.830 5.4576  2.003815       7.893249 
1 1 1 -8  -22 23 o 192.009 5.3266  4484.51    248.164  4483.42    306.925  4486.58    421.740  191.852 6.5933  191.577 9.0727  0.2749634      11.21542 
1 1 1 -8  -22 24 o 134.296 5.3990  2194.08    175.929  2267.25    255.895  2128.50    242.266  136.097 7.7813  131.880 7.6032  4.217056       10.87923 
1 1 1 -8  -22 25 o 88.170  4.9286  948.256    105.018  854.120    154.448  1029.20    143.222  83.318  7.7277  91.695  6.4789  -8.377640      10.08434 
1 1 1 -8  -22 26 o 409.005 11.875  20566.51   1178.47  20023.07   1674.29  21100.09   1659.02  400.659 17.222  411.688 16.608  -11.02908      23.92567 
1 1 1 -8  -22 27 o 139.495 4.4230  2365.08    149.706  2178.45    272.466  2445.79    179.176  133.289 8.4686  141.805 5.2074  -8.515732      9.941586 
1 1 1 -8  -22 28 o 176.352 4.3580  3779.76    186.482  3760.69    271.563  3796.78    256.529  175.730 6.3688  176.610 5.9863  -0.8800049     8.740551 
1 1 1 -8  -22 29 o 177.544 4.3933  3831.12    189.261  3790.37    275.898  3867.35    260.110  176.415 6.4454  178.242 6.0143  -1.826874      8.815592 
1 1 1 -8  -22 30 o 37.403  3.9685  171.882    35.466   113.689    56.261   210.254    45.686   29.965  7.6972  41.331  4.6355  -11.36546      8.985263 
1 1 1 -8  -22 31 o 86.237  3.5181  903.284    73.615   805.975    112.328  976.542    97.462   81.180  5.7397  89.633  4.4813  -8.453201      7.281878 
1 1 1 -8  -22 32 o 297.361 6.3653  10769.05   459.270  10689.40   659.809  10843.92   639.671  295.640 9.1980  297.857 8.8508  -2.217438      12.76480 
1 1 1 -8  -22 33 o 106.572 3.6667  1379.70    94.817   1323.38    142.426  1424.53    127.067  104.127 5.6584  108.237 4.8383  -4.109634      7.444932 
1 1 1 -8  -22 34 o 82.421  5.1572  829.563    102.618  878.391    161.019  796.168    133.164  84.456  7.9511  80.529  6.8812  3.927238       10.51525 
1 1 1 -8  -22 35 o 40.746  6.9008  207.957    65.791   190.362    105.440  219.175    84.191   38.811  10.801  41.586  8.6263  -2.775425      13.82280 
1 1 1 -8  -22 36 o 74.420  5.5603  677.911    99.679   477.853    155.592  817.180    129.818  61.494  10.823  81.612  6.6125  -20.11808      12.68313 
1 1 1 -8  -22 37 o 63.286  3.8438  488.527    58.745   508.736    92.493   474.863    76.054   64.346  5.9931  62.264  5.0783  2.081779       7.855309 
1 1 1 -8  -22 38 o 109.770 3.7554  1464.47    100.025  1392.56    152.861  1518.31    132.275  106.737 5.9255  111.701 4.8804  -4.964149      7.676614 
1 1 1 -8  -22 39 f 203.374 4.9023  5034.85    241.912  5014.93    355.656  5052.00    330.013  202.570 7.2359  203.426 6.6859  -0.8558807     9.851862 
1 1 1 -8  -22 40 o 80.290  4.1799  786.381    81.150   865.871    169.864  762.873    92.373   83.587  8.4932  79.003  4.8421  4.583588       9.776568 
1 1 1 -8  -22 41 o 148.506 4.1913  2684.25    151.027  2657.96    227.938  2704.83    201.641  147.466 6.3703  148.889 5.5815  -1.422516      8.469596 
1 1 1 -8  -22 42 o 67.753  3.7563  560.298    61.511   570.123    100.397  554.393    77.830   68.008  6.1507  67.266  4.8001  0.7413330      7.802018 
1 1 1 -8  -22 43 o 121.669 3.9220  1802.73    115.786  1760.25    178.700  1833.46    152.011  119.742 6.1716  122.541 5.1124  -2.799828      8.014067 
1 1 1 -8  -22 44 o 82.718  3.7318  833.340    74.899   760.630    120.402  879.240    95.662   78.484  6.3777  84.745  4.6703  -6.261345      7.904794 
1 1 1 -8  -22 45 o 52.566  4.0578  338.963    51.355   327.407    87.347   345.068    63.487   51.040  7.2574  52.890  5.0066  -1.850624      8.816833 
1 1 1 -8  -22 46 o 59.303  3.9526  430.905    56.550   387.554    95.301   454.464    70.254   55.563  7.2409  60.771  4.8036  -5.207298      8.689392 
1 1 1 -8  -22 47 o 60.953  5.7786  460.559    84.443   454.936    134.348  464.231    108.569  59.488  9.6373  60.757  7.5256  -1.269352      12.22754 
1 1 1 -8  -22 48 o 57.583  5.8620  412.158    80.761   433.225    127.382  397.999    104.433  58.035  9.3648  56.033  7.9005  2.001301       12.25219 
1 1 1 -8  -22 49 o 22.498  7.7429  57.949     51.169   119.385    88.774   27.382     62.618   31.090  10.194  20.581  8.2474  10.50935       13.11256 
1 1 1 -8  -22 50 o 35.042  5.8572  155.258    48.043   100.399    93.121   175.157    56.084   29.559  10.428  37.128  6.4602  -7.568348      12.26696 
1 1 1 -8  -22 51 f 72.265  4.1709  641.046    72.823   677.954    130.835  624.479    87.657   73.413  7.4480  71.112  5.1143  2.300980       9.034868 
1 1 1 -8  -22 52 o 19.229  7.0635  37.339     43.239   88.696     87.979   20.983     49.649   28.158  10.114  18.279  7.3372  9.878189       12.49531 
1 1 1 -8  -22 53 o 106.285 5.8603  1400.83    150.548  1383.32    260.659  1409.59    184.417  103.170 10.561  106.033 7.2108  -2.863167      12.78824 
1 1 1 -8  -22 54 o 96.310  5.7768  1152.09    134.373  1234.51    241.477  1115.12    161.725  97.278  10.391  94.178  7.1301  3.099770       12.60226 
1 1 1 -8  -22 55 o 63.760  6.1509  509.986    93.978   164.446    184.713  630.671    109.162  37.841  14.451  70.863  6.4184  -33.02239      15.81234 
1 1 1 -8  -22 56 f 50.202  4.9706  314.143    59.752   396.291    119.884  286.991    68.922   54.803  9.3511  47.637  6.1031  7.166088       11.16654 
1 1 1 -8  -22 57 f 32.171  6.6845  134.436    50.475   43.455     107.925  159.909    57.105   25.966  10.670  35.079  6.9549  -9.112465      12.73686 
1 1 1 -8  -22 58 o 21.911  9.6556  -13.0575   99.944   -13.0575   99.944   0.0000     0.0000   21.911  9.6556  ?       ?       0.000000       9.655642 
1 1 1 -8  -22 59 o 45.878  13.918  309.665    168.448  309.665    168.448  0.0000     0.0000   45.878  13.918  ?       ?       0.000000       13.91775 
1 1 1 -8  -22 60 o 24.164  8.6442  67.732     64.201   42.906     140.348  74.301     72.198   28.199  11.920  25.337  9.1545  2.862440       15.02939 
1 1 1 -8  -22 61 o 70.280  5.4049  619.122    91.462   552.290    185.040  640.729    105.213  62.120  12.705  71.169  6.1532  -9.049400      14.11649 
1 1 1 -8  -22 62 o 63.924  9.7349  548.401    146.224  0.0000     0.0000   548.401    146.224  ?       ?       63.924  9.7349  0.000000       9.734880 
1 1 1 -8  -22 63 o 26.713  9.8992  80.415     85.246   69.541     186.652  83.280     95.824   32.331  13.710  27.606  10.440  4.725475       17.23308 
1 1 1 -8  -22 64 o 21.861  8.2811  48.132     60.345   -20.5346   141.104  63.502     66.758   25.298  11.292  23.885  8.7763  1.413704       14.30113 
1 1 1 -8  -22 65 o 45.390  7.4293  270.162    78.992   0.0000     0.0000   270.162    78.992   ?       ?       45.390  7.4293  0.000000       7.429296 
1 1 1 -8  -21 1  o 225.615 7.3700  6206.62    403.458  6553.83    560.761  5833.98    580.923  231.355 9.9893  217.793 11.029  13.56267       14.88023 
1 1 1 -8  -21 2  o 305.268 6.4980  11350.45   481.308  11997.03   683.289  10713.68   678.085  313.278 8.9890  295.933 9.4434  17.34525       13.03760 
1 1 1 -8  -21 3  f 166.842 4.3363  3383.07    175.545  3601.50    250.983  3173.87    245.620  172.004 6.0137  161.446 6.2701  10.55803       8.687804 
1 1 1 -8  -21 4  o 428.634 8.6865  22444.56   903.432  24176.30   1279.79  20724.41   1275.51  443.527 11.892  410.221 12.814  33.30679       17.48231 
1 1 1 -8  -21 5  o 192.729 4.6480  4515.06    217.359  4734.86    309.454  4301.02    305.370  197.188 6.4677  187.912 6.6974  9.276138       9.310577 
1 1 1 -8  -21 6  o 97.558  3.5159  1155.88    83.226   1173.43    120.834  1140.05    114.797  98.108  5.0936  96.715  4.9079  1.392281       7.073335 
1 1 1 -8  -21 7  o 309.629 9.2781  11711.83   697.051  0.0000     0.0000   11711.83   697.051  ?       ?       309.629 9.2781  0.000000       9.278079 
1 1 1 -8  -21 8  o 144.013 5.5799  2522.19    194.981  0.0000     0.0000   2522.19    194.981  ?       ?       144.013 5.5799  0.000000       5.579887 
1 1 1 -8  -21 9  o 316.916 9.4504  12264.55   726.708  0.0000     0.0000   12264.55   726.708  ?       ?       316.916 9.4504  0.000000       9.450437 
1 1 1 -8  -21 10 o 305.852 6.4944  11382.49   481.962  12050.67   683.016  10719.82   680.187  314.284 8.9566  296.326 9.4601  17.95761       13.02744 
1 1 1 -8  -21 11 o 348.815 7.2609  14813.91   614.542  14885.05   870.200  14743.14   867.991  349.031 10.275  347.358 10.298  1.673340       14.54781 
1 1 1 -8  -21 12 f 337.914 7.0257  13897.98   576.050  13878.31   815.689  13917.56   813.629  337.122 9.9718  337.607 9.9323  -0.4850159     14.07437 
1 1 1 -8  -21 13 o 243.372 5.4028  7199.29    319.045  7178.66    452.181  7219.75    450.221  242.790 7.6757  243.491 7.6204  -0.7006226     10.81604 
1 1 1 -8  -21 14 o 542.273 10.764  35939.07   1416.25  35576.70   2003.97  36300.67   2001.80  537.490 15.366  543.021 15.193  -5.531494      21.60863 
1 1 1 -8  -21 15 o 540.487 10.721  35700.67   1406.00  35547.43   1989.54  35853.55   1987.23  537.323 15.260  539.675 15.176  -2.352173      21.52140 
1 1 1 -8  -21 16 o 237.803 5.3299  6873.28    307.540  6860.41    436.032  6886.02    433.832  237.360 7.5709  237.809 7.5185  -0.4486084     10.66986 
1 1 1 -8  -21 17 o 336.390 7.0084  13772.74   572.039  13873.85   810.175  13672.22   807.800  337.082 9.9056  334.615 9.9494  2.467896       14.03958 
1 1 1 -8  -21 18 o 351.042 7.2822  15003.96   620.273  15040.40   878.296  14967.71   876.104  350.837 10.317  349.988 10.317  0.8486023      14.59048 
1 1 1 -8  -21 19 o 302.347 6.4039  11122.17   469.803  10529.11   670.311  11694.77   658.648  293.689 9.4064  309.645 8.7665  -15.95557      12.85815 
1 1 1 -8  -21 20 o 327.054 6.7863  13020.70   538.542  13065.37   767.757  12977.43   755.616  327.048 9.6749  325.974 9.5533  1.074768       13.59671 
1 1 1 -8  -21 21 o 147.506 3.9065  2642.78    139.817  2634.36    203.721  2650.28    192.239  147.173 5.7048  147.638 5.3664  -0.4653778     7.832169 
1 1 1 -8  -21 22 o 318.882 6.6664  12380.70   515.807  12356.38   736.176  12404.15   722.928  317.974 9.5417  318.634 9.3506  -0.6600952     13.35956 
1 1 1 -8  -21 23 o 99.043  3.3984  1191.26    81.671   1131.63    121.140  1240.94    110.581  96.329  5.2021  101.050 4.5101  -4.720261      6.884921 
1 1 1 -8  -21 24 o 203.801 6.7319  5059.25    332.898  5305.99    477.698  4826.28    464.172  208.308 9.4511  198.639 9.6305  9.669342       13.49335 
1 1 1 -8  -21 25 o 440.396 12.644  23873.43   1351.07  24172.81   1918.04  23578.59   1903.45  439.933 17.968  434.430 18.057  5.502808       25.47414 
1 1 1 -8  -21 26 o 170.356 6.0935  3533.01    251.876  3321.29    363.183  3729.22    349.616  164.574 9.1308  174.774 8.2443  -10.19969      12.30198 
1 1 1 -8  -21 27 o 314.589 9.4195  12105.14   719.010  11883.64   1024.29  12320.32   1009.54  310.329 13.603  316.150 13.160  -5.820709      18.92710 
1 1 1 -8  -21 28 o 224.242 5.0570  6114.79    275.153  6306.80    397.242  5937.71    381.487  227.464 7.1975  220.718 7.1232  6.745621       10.12640 
1 1 1 -8  -21 29 o 145.238 3.9461  2562.75    139.063  2551.01    204.845  2572.79    189.392  144.784 5.8310  145.435 5.3670  -0.6511383     7.924953 
1 1 1 -8  -21 30 o 133.434 3.8737  2163.01    125.417  1878.30    185.480  2402.84    170.232  124.214 6.1541  140.574 4.9908  -16.36008      7.923435 
1 1 1 -8  -21 31 o 113.145 3.6394  1554.99    99.914   1649.15    148.241  1476.61    135.251  116.445 5.2467  110.194 5.0584  6.250084       7.288054 
1 1 1 -8  -21 32 o 216.785 4.9991  5714.69    262.960  5936.18    381.542  5514.30    362.919  220.685 7.1253  212.712 7.0316  7.973541       10.01069 
1 1 1 -8  -21 33 o 301.844 6.4847  11097.11   474.940  10896.04   682.206  11286.21   661.599  298.445 9.4208  303.858 8.9735  -5.412842      13.01053 
1 1 1 -8  -21 34 o 218.948 7.1100  5844.24    377.724  6192.76    556.318  5546.15    514.495  224.807 10.199  212.795 9.9645  12.01195       14.25859 
1 1 1 -8  -21 35 o 93.730  5.2129  1072.00    118.086  1146.05    184.906  1021.00    153.454  96.566  7.9626  91.252  6.9836  5.313698       10.59119 
1 1 1 -8  -21 36 o 100.310 5.3261  1227.79    129.168  990.378    200.686  1395.69    168.774  89.463  9.3848  106.821 6.5431  -17.35742      11.44060 
1 1 1 -8  -21 37 o 86.769  3.6118  914.735    76.042   1080.28    119.104  800.827    98.799   94.074  5.2386  80.975  5.0538  13.09946       7.278994 
1 1 1 -8  -21 38 o 89.699  3.6415  977.694    79.257   1100.15    124.145  893.443    102.973  94.907  5.4134  85.544  4.9826  9.362816       7.357423 
1 1 1 -8  -21 39 o 122.446 3.9041  1822.63    115.991  1754.77    176.890  1873.82    153.631  119.816 6.1047  124.064 5.1035  -4.248161      7.956970 
1 1 1 -8  -21 40 o 116.902 3.8306  1661.64    108.657  1796.90    166.811  1561.95    143.203  121.409 5.6625  113.235 5.2120  8.173592       7.696085 
1 1 1 -8  -21 41 o 159.125 4.2950  3081.80    165.831  3186.90    249.085  2998.13    222.244  161.508 6.3561  156.736 5.8438  4.771622       8.634245 
1 1 1 -8  -21 42 o 91.860  3.6966  1026.56    82.394   1139.00    130.404  951.847    106.300  96.429  5.5975  88.216  4.9866  8.213196       7.496512 
1 1 1 -8  -21 43 o 157.636 4.3456  3028.04    166.214  2907.16    250.642  3122.92    222.069  153.990 6.7080  159.829 5.7262  -5.838028      8.819726 
1 1 1 -8  -21 44 o 67.226  3.8057  552.164    61.822   530.575    101.523  564.888    77.940   65.454  6.4774  67.866  4.7633  -2.411552      8.040251 
1 1 1 -8  -21 45 o 45.827  4.3565  258.544    47.860   199.490    81.281   289.885    59.214   39.352  8.7399  48.425  5.1171  -9.072422      10.12772 
1 1 1 -8  -21 46 o 70.354  3.8518  605.328    65.502   554.845    109.081  633.797    81.916   66.763  6.8298  71.852  4.7249  -5.088631      8.304885 
1 1 1 -8  -21 47 o 120.285 5.6605  1776.69    165.209  1824.36    248.137  1738.74    221.421  120.696 8.5278  118.131 7.7682  2.564308       11.53553 
1 1 1 -8  -21 48 o 89.719  5.4578  992.081    118.250  1097.06    181.962  915.338    155.581  93.514  8.0993  85.544  7.5739  7.970657       11.08887 
1 1 1 -8  -21 49 o 73.726  5.5329  671.903    98.255   821.017    154.514  570.671    127.311  80.779  7.9879  67.227  7.9593  13.55231       11.27639 
1 1 1 -8  -21 50 o 123.895 4.0981  1876.62    123.197  1875.00    194.030  1877.71    159.465  122.959 6.5269  123.609 5.3168  -0.6500854     8.418330 
1 1 1 -8  -21 51 o 117.580 4.1533  1691.15    118.493  1730.51    192.654  1667.19    150.279  117.965 6.7589  116.439 5.3191  1.526299       8.600856 
1 1 1 -8  -21 52 o 12.821  5.7309  -14.9025   36.489   -25.0952   82.532   -12.4261   40.681   19.530  8.6817  13.848  6.1284  5.681927       10.62687 
1 1 1 -8  -21 53 o 100.648 5.7937  1255.46    140.892  1161.50    244.961  1301.92    172.231  94.322  10.904  102.011 7.0006  -7.688812      12.95810 
1 1 1 -8  -21 54 o 50.167  6.4308  317.549    76.477   461.375    152.769  269.453    88.344   58.748  11.124  45.571  8.2951  13.17704       13.87665 
1 1 1 -8  -21 55 o 72.705  5.8404  659.552    102.162  738.048    192.251  628.664    120.598  74.514  10.961  70.488  7.1501  4.026245       13.08672 
1 1 1 -8  -21 56 o 62.264  4.5389  479.697    68.100   489.047    129.008  476.085    80.182   61.229  8.9476  61.779  5.4033  -0.5503540     10.45250 
1 1 1 -8  -21 57 o 46.795  11.171  301.522    125.077  301.522    125.077  0.0000     0.0000   46.795  11.171  ?       ?       0.000000       11.17058 
1 1 1 -8  -21 58 o 82.244  8.3675  876.195    164.653  876.195    164.653  0.0000     0.0000   82.244  8.3675  ?       ?       0.000000       8.367461 
1 1 1 -8  -21 59 o 83.278  4.5329  859.222    91.250   851.820    165.825  862.438    109.284  80.807  8.5891  83.052  5.4533  -2.245316      10.17406 
1 1 1 -8  -21 60 o 64.336  5.4490  519.241    84.263   533.783    182.001  515.273    95.065   61.172  12.678  63.773  6.2228  -2.601624      14.12323 
1 1 1 -8  -21 61 o 37.932  7.1328  187.941    63.240   26.925     147.418  224.256    70.009   27.974  12.032  41.489  7.2164  -13.51479      14.03002 
1 1 1 -8  -21 62 o 35.993  11.510  177.470    113.585  0.0000     0.0000   177.470    113.585  ?       ?       35.993  11.510  0.000000       11.50951 
1 1 1 -8  -21 63 o 30.449  10.145  120.525    87.799   12.287     188.142  150.658    99.271   30.167  13.273  33.468  10.766  -3.301138      17.08998 
1 1 1 -8  -21 64 o 14.685  6.7480  -35.9278   55.018   8.9404     243.803  -38.3353   56.475   33.117  14.807  14.787  6.8103  18.32998       16.29838 
1 1 1 -8  -21 65 o 28.249  9.0984  104.755    70.883   0.0000     0.0000   104.755    70.883   ?       ?       28.249  9.0984  0.000000       9.098428 
1 1 1 -8  -20 1  o 98.420  4.9202  1177.77    117.496  1314.19    159.757  1017.02    173.413  103.692 6.3806  90.956  7.9370  12.73561       10.18378 
1 1 1 -8  -20 2  o 43.503  4.9355  233.050    51.176   205.802    69.458   265.406    75.690   40.471  7.3436  46.161  6.9753  -5.689457      10.12831 
1 1 1 -8  -20 3  o 497.288 14.312  30530.06   1726.91  31955.34   2432.27  29081.22   2452.29  504.739 19.860  480.550 21.031  24.18887       28.92654 
1 1 1 -8  -20 4  o 264.206 8.2339  8515.28    527.850  9022.53    737.755  7983.27    755.550  271.330 11.206  254.984 12.212  16.34529       16.57428 
1 1 1 -8  -20 5  o 140.690 5.5349  2406.97    188.944  2642.29    260.928  2147.55    273.962  147.280 7.3015  132.405 8.5736  14.87531       11.26136 
1 1 1 -8  -20 6  o 288.506 12.338  10207.42   863.712  0.0000     0.0000   10207.42   863.712  ?       ?       288.506 12.338  0.000000       12.33813 
1 1 1 -8  -20 7  o 152.584 5.6913  2830.66    210.711  0.0000     0.0000   2830.66    210.711  ?       ?       152.584 5.6913  0.000000       5.691337 
1 1 1 -8  -20 8  o 287.906 8.7178  10103.93   609.008  0.0000     0.0000   10103.93   609.008  ?       ?       287.906 8.7178  0.000000       8.717832 
1 1 1 -8  -20 9  o 137.875 3.8863  2308.30    130.014  2416.30    186.020  2205.16    181.790  141.004 5.4371  134.697 5.5622  6.306732       7.778159 
1 1 1 -8  -20 10 o 290.482 6.2030  10259.19   437.202  10287.24   619.401  10231.34   617.200  290.564 8.7855  289.774 8.7781  0.7894897      12.41936 
1 1 1 -8  -20 11 o 169.721 4.2639  3498.08    175.593  3444.43    249.213  3550.97    247.449  168.328 6.1017  170.919 5.9667  -2.590973      8.534177 
1 1 1 -8  -20 12 o 442.920 8.9470  23900.70   961.543  23583.54   1360.85  24216.90   1358.81  439.015 12.775  444.927 12.586  -5.911621      17.93390 
1 1 1 -8  -20 13 o 245.925 5.4338  7348.59    324.246  7401.64    459.641  7296.03    457.473  246.623 7.6810  244.856 7.7000  1.767715       10.87606 
1 1 1 -8  -20 14 o 179.219 4.4215  3900.67    192.274  3981.68    272.967  3820.90    270.877  180.981 6.2160  177.285 6.2970  3.696259       8.848249 
1 1 1 -8  -20 15 o 248.818 5.4807  7522.68    330.888  7724.52    469.014  7322.68    466.885  251.946 7.6721  245.288 7.8446  6.657684       10.97264 
1 1 1 -8  -20 16 o 439.970 8.8863  23582.16   948.659  23079.95   1342.69  24082.75   1340.52  434.312 12.741  443.732 12.451  -9.419708      17.81447 
1 1 1 -8  -20 17 o 178.798 4.4066  3882.55    191.177  3973.13    271.391  3793.34    269.350  180.780 6.1870  176.637 6.2845  4.143372       8.818980 
1 1 1 -8  -20 18 o 295.336 6.2065  10604.96   444.762  10708.74   634.695  10504.83   623.432  296.451 8.8237  293.625 8.7505  2.825531       12.42691 
1 1 1 -8  -20 19 o 147.088 3.9302  2627.15    140.267  2391.59    203.871  2838.88    193.287  140.255 5.9907  152.848 5.2117  -12.59296      7.940398 
1 1 1 -8  -20 20 o 293.757 6.1695  10494.02   439.747  10822.05   628.067  10178.57   615.904  297.966 8.6871  288.956 8.7845  9.009644       12.35450 
1 1 1 -8  -20 21 o 151.771 3.9380  2797.45    145.021  2979.68    210.826  2633.78    199.799  156.557 5.5499  147.188 5.5945  9.369812       7.880338 
1 1 1 -8  -20 22 o 293.445 6.1912  10475.34   440.823  10632.99   630.027  10324.14   617.013  295.237 8.7948  290.928 8.7407  4.309631       12.39949 
1 1 1 -8  -20 23 o 139.870 3.8271  2376.10    129.886  2378.45    189.640  2374.02    178.260  139.851 5.5886  139.740 5.2574  0.1112976      7.672819 
1 1 1 -8  -20 24 o 266.288 5.7693  8625.87    372.768  8499.02    534.220  8746.24    520.398  263.936 8.3418  267.806 8.0085  -3.869873      11.56378 
1 1 1 -8  -20 25 o 517.687 14.741  33118.15   1851.61  33108.12   2625.49  33128.07   2611.71  512.722 21.104  512.985 20.982  -0.2625732     29.75971 
1 1 1 -8  -20 26 o 47.870  5.4655  282.354    62.346   359.966    93.371   219.911    83.751   53.853  7.3366  41.687  8.5664  12.16605       11.27863 
1 1 1 -8  -20 27 o 93.125  4.9373  1057.38    111.163  1021.96    163.700  1087.70    151.432  91.251  7.4587  94.264  6.6637  -3.013527      10.00184 
1 1 1 -8  -20 28 o 226.889 7.2882  6275.29    401.233  6386.82    574.408  6169.02    560.698  228.341 10.367  224.429 10.296  3.912460       14.61167 
1 1 1 -8  -20 29 o 271.444 5.8529  8966.36    385.493  9221.65    554.156  8726.97    536.606  274.857 8.3092  267.391 8.2708  7.466278       11.72386 
1 1 1 -8  -20 30 o 181.595 4.4334  4007.72    195.346  4198.58    285.197  3839.03    268.116  185.701 6.3294  177.583 6.2224  8.118729       8.875820 
1 1 1 -8  -20 31 o 157.107 4.1389  2999.05    157.776  2975.33    231.982  3019.47    215.219  156.344 6.1152  157.539 5.6302  -1.195068      8.312331 
1 1 1 -8  -20 32 o 213.517 4.9763  5543.21    257.814  5597.48    374.114  5494.12    355.784  214.302 7.1947  212.353 6.9050  1.949173       9.972119 
1 1 1 -8  -20 33 o 190.747 4.7669  4423.31    220.627  4654.70    331.947  4240.21    295.289  195.440 6.9999  186.590 6.5222  8.850006       9.567513 
1 1 1 -8  -20 34 o 23.919  8.1925  63.816     57.256   65.343     91.566   62.836     73.370   27.079  10.214  25.222  9.2108  1.857515       13.75406 
1 1 1 -8  -20 35 o 87.648  5.1358  937.542    108.745  941.499    175.393  935.072    138.600  87.407  8.3724  87.365  6.5867  0.4186249E-01  10.65277 
1 1 1 -8  -20 36 o 130.350 5.5607  2067.77    175.876  2010.32    270.070  2110.08    231.756  127.942 8.7521  131.330 7.3017  -3.387817      11.39799 
1 1 1 -8  -20 37 o 185.149 6.6323  4178.37    297.955  3850.92    446.479  4441.29    400.074  176.837 10.452  190.573 8.6520  -13.73628      13.56834 
1 1 1 -8  -20 38 o 320.410 6.7902  12521.17   527.900  12547.10   760.174  12497.01   733.659  319.830 9.7956  319.306 9.4694  0.5247803      13.62436 
1 1 1 -8  -20 39 o 258.813 5.7325  8160.44    359.990  8430.85    523.339  7917.58    495.969  262.492 8.2168  254.424 8.0340  8.068100       11.49180 
1 1 1 -8  -20 40 o 15.458  6.0944  16.176     33.660   -11.2263   58.508   29.733     41.153   17.159  7.4789  18.225  6.8533  -1.065376      10.14406 
1 1 1 -8  -20 41 o 163.466 4.3885  3252.21    174.063  3120.01    260.734  3358.50    233.788  159.766 6.7259  165.917 5.8072  -6.151154      8.885991 
1 1 1 -8  -20 42 o 141.255 4.1322  2428.71    141.627  2392.70    214.816  2456.40    188.363  139.895 6.3285  141.883 5.4715  -1.987869      8.365815 
1 1 1 -8  -20 43 o 122.645 3.9557  1831.30    117.715  1790.30    181.352  1861.16    154.746  120.800 6.2081  123.489 5.1645  -2.688538      8.075432 
1 1 1 -8  -20 44 o 143.942 4.1685  2525.00    145.591  2607.44    221.700  2462.49    193.053  145.861 6.2641  141.891 5.6073  3.970139       8.407238 
1 1 1 -8  -20 45 o 73.967  3.7899  668.308    67.790   741.268    111.770  625.850    85.263   77.532  5.9877  71.397  4.9523  6.134834       7.770349 
1 1 1 -8  -20 46 o 76.658  3.8551  718.245    71.478   686.287    115.872  737.876    90.816   74.422  6.4814  77.536  4.8517  -3.113228      8.096124 
1 1 1 -8  -20 47 o 142.441 6.0069  2494.35    207.610  2547.18    309.191  2450.97    280.159  142.529 8.9865  140.146 8.2754  2.382751       12.21636 
1 1 1 -8  -20 48 o 115.754 5.6784  1646.67    159.488  1651.39    239.503  1642.90    213.783  114.650 8.6736  114.760 7.7224  -0.1099548     11.61320 
1 1 1 -8  -20 49 o 83.675  5.5070  864.044    111.183  949.240    172.610  803.629    145.354  86.823  8.2944  80.080  7.5705  6.743103       11.22980 
1 1 1 -8  -20 50 o 97.499  3.9237  1161.25    92.824   1226.82    150.015  1120.57    118.161  99.508  6.2448  95.414  5.1226  4.093872       8.077040 
1 1 1 -8  -20 51 o 73.932  4.1848  670.661    74.764   605.257    130.683  702.482    91.155   69.210  7.9247  75.492  5.0048  -6.281830      9.372792 
1 1 1 -8  -20 52 o 31.257  6.4397  125.215    47.215   148.902    95.061   117.458    54.400   33.992  10.483  30.119  7.4782  3.873354       12.87675 
1 1 1 -8  -20 53 o 81.714  4.1893  819.783    82.781   702.633    144.178  877.396    101.108  74.405  8.1178  84.345  4.9622  -9.940804      9.514347 
1 1 1 -8  -20 54 o 43.479  7.1053  241.677    72.370   133.409    153.823  272.455    82.014   34.960  13.227  46.069  7.6022  -11.10829      15.25570 
1 1 1 -8  -20 55 o 80.723  5.8862  812.188    114.497  814.421    215.798  811.313    135.077  77.881  11.788  80.239  7.0083  -2.358101      13.71426 
1 1 1 -8  -20 56 o 35.876  6.3832  165.021    53.529   186.152    108.489  158.222    61.541   37.174  11.145  34.811  7.5068  2.363518       13.43758 
1 1 1 -8  -20 57 o 25.445  10.433  41.416     102.881  41.416     102.881  0.0000     0.0000   25.445  10.433  ?       ?       0.000000       10.43258 
1 1 1 -8  -20 58 o 111.392 4.4493  1530.06    120.255  1496.51    207.065  1547.14    147.720  108.018 7.9563  111.558 5.4573  -3.539703      9.648063 
1 1 1 -8  -20 59 o 117.953 4.5166  1718.14    129.266  1605.83    218.581  1778.54    160.302  111.615 8.1268  119.486 5.5292  -7.870750      9.829365 
1 1 1 -8  -20 60 o 117.563 4.7084  1710.29    134.311  1714.93    234.007  1708.01    164.018  115.003 8.4451  116.904 5.7822  -1.901070      10.23492 
1 1 1 -8  -20 61 o 38.829  7.1877  196.711    65.225   184.786    155.036  199.275    71.898   37.272  13.422  38.834  7.8992  -1.561565      15.57430 
1 1 1 -8  -20 62 o 52.771  8.8428  368.982    109.221  141.726    196.319  470.853    131.441  36.275  14.580  59.432  9.4298  -23.15680      17.36333 
1 1 1 -8  -20 63 o 32.798  10.582  143.566    95.845   98.907     188.576  159.120    111.291  33.854  14.027  34.433  11.420  -0.5790749     18.08782 
1 1 1 -8  -20 64 o 40.265  8.3648  216.362    79.052   0.0000     0.0000   216.362    79.052   ?       ?       40.265  8.3648  0.000000       8.364794 
1 1 1 -8  -20 65 o 52.851  6.3667  357.529    80.003   431.201    171.040  336.896    90.515   54.033  13.167  50.744  7.5840  3.288631       15.19457 
1 1 1 -8  -19 1  o 252.302 7.9296  7763.75    485.443  7935.93    677.067  7581.60    696.380  254.473 10.965  248.591 11.545  5.881149       15.92262 
1 1 1 -8  -19 2  o 318.363 9.5121  12384.32   734.788  12462.72   1029.84  12303.03   1048.71  318.281 13.335  316.124 13.672  2.157715       19.09842 
1 1 1 -8  -19 3  o 377.770 11.018  17467.45   1009.89  17615.86   1419.04  17315.13   1437.55  377.755 15.482  374.372 15.825  3.383118       22.13884 
1 1 1 -8  -19 4  o 432.554 12.506  22937.99   1312.60  24147.30   1847.64  21705.77   1865.07  441.748 17.238  418.261 18.377  23.48633       25.19652 
1 1 1 -8  -19 5  o 378.709 15.764  17667.43   1448.54  0.0000     0.0000   17667.43   1448.54  ?       ?       378.709 15.764  0.000000       15.76373 
1 1 1 -8  -19 6  o 77.232  6.8427  731.224    126.902  0.0000     0.0000   731.224    126.902  ?       ?       77.232  6.8427  0.000000       6.842707 
1 1 1 -8  -19 7  o 128.846 7.6635  2027.40    238.505  0.0000     0.0000   2027.40    238.505  ?       ?       128.846 7.6635  0.000000       7.663465 
1 1 1 -8  -19 8  o 314.217 6.6197  12004.14   504.700  13070.55   715.246  10946.59   712.269  327.577 8.9987  299.672 9.7957  27.90518       13.30155 
1 1 1 -8  -19 9  o 109.959 3.5119  1467.73    93.698   1436.18    133.346  1498.50    131.689  108.737 5.0540  111.076 4.8861  -2.338631      7.029760 
1 1 1 -8  -19 10 o 155.034 4.0721  2918.17    153.183  2826.19    217.387  3008.88    215.889  152.511 5.8745  157.372 5.6538  -4.861069      8.153208 
1 1 1 -8  -19 11 o 283.002 6.0801  9732.02    417.508  9784.19    591.523  9680.22    589.372  283.534 8.5981  282.022 8.6128  1.511993       12.16992 
1 1 1 -8  -19 12 o 171.860 4.2828  3586.06    178.592  3672.27    253.529  3501.14    251.616  173.848 6.0103  169.745 6.1091  4.103500       8.569976 
1 1 1 -8  -19 13 o 279.856 6.0248  9516.12    409.114  9613.31    579.670  9419.66    577.484  281.072 8.4996  278.221 8.5543  2.850647       12.05902 
1 1 1 -8  -19 14 o 297.812 6.3384  10778.16   458.018  10982.45   648.882  10575.30   646.596  300.377 8.9030  294.742 9.0412  5.635590       12.68883 
1 1 1 -8  -19 15 o 172.924 4.3082  3630.64    180.767  3622.00    256.598  3639.15    254.699  172.649 6.1253  173.060 6.0655  -0.4107513     8.620263 
1 1 1 -8  -19 16 o 290.132 6.1356  10228.91   431.931  10090.90   616.161  10362.25   605.660  287.919 8.8198  291.794 8.5544  -3.874359      12.28684 
1 1 1 -8  -19 17 o 158.729 4.0132  3058.86    154.564  3245.71    223.554  2887.74    213.937  163.448 5.6369  154.168 5.7191  9.279785       8.030088 
1 1 1 -8  -19 18 o 115.285 3.5157  1613.36    98.343   1570.44    143.893  1650.99    134.717  113.701 5.2157  116.593 4.7620  -2.891960      7.062530 
1 1 1 -8  -19 19 o 317.200 6.6119  12233.16   508.890  12041.04   725.653  12419.08   713.851  314.336 9.5142  319.277 9.2146  -4.940399      13.24492 
1 1 1 -8  -19 20 o 126.318 3.6451  1937.17    111.722  1937.27    163.471  1937.08    153.041  126.271 5.3355  126.276 4.9949  -0.5416870E-02 7.308637 
1 1 1 -8  -19 21 o 85.352  3.2816  884.361    67.962   933.911    100.957  843.298    91.906   87.551  4.7704  83.198  4.5702  4.353310       6.606273 
1 1 1 -8  -19 22 o 403.862 8.2312  19870.99   806.607  19038.70   1147.44  20684.05   1134.11  394.390 11.991  411.263 11.365  -16.87332      16.52084 
1 1 1 -8  -19 23 o 431.253 8.6509  22676.65   905.224  23149.82   1287.20  22213.67   1273.27  434.652 12.205  425.731 12.326  8.921204       17.34630 
1 1 1 -8  -19 24 o 375.307 7.6990  17162.72   701.106  16932.91   998.824  17385.92   984.361  371.931 11.068  376.964 10.762  -5.033630      15.43751 
1 1 1 -8  -19 25 o 329.003 9.7062  13229.53   774.846  13679.81   1102.03  12789.29   1089.68  333.367 13.624  322.226 13.937  11.14114       19.48992 
1 1 1 -8  -19 26 o 255.670 7.9287  7972.24    491.866  8261.89    701.865  7692.70    689.506  259.610 11.142  250.460 11.346  9.149963       15.90201 
1 1 1 -8  -19 27 o 265.800 8.1881  8621.51    528.087  8726.46    753.088  8519.97    740.721  266.621 11.641  263.462 11.587  3.159119       16.42467 
1 1 1 -8  -19 28 o 128.514 5.3265  2008.77    166.095  2215.47    241.081  1822.00    229.160  134.606 7.4099  121.977 7.7834  12.62856       10.74650 
1 1 1 -8  -19 29 o 288.535 6.2246  10134.47   435.789  9551.44    625.066  10685.89   607.890  279.550 9.2151  295.855 8.4680  -16.30563      12.51503 
1 1 1 -8  -19 30 o 209.249 4.8222  5322.73    244.832  5757.76    355.342  4929.57    337.813  217.424 6.7356  201.158 6.9211  16.26581       9.657622 
1 1 1 -8  -19 31 o 88.429  3.4899  949.679    74.880   782.121    113.813  1077.56    99.430   79.954  5.9085  94.167  4.3517  -14.21268      7.338058 
1 1 1 -8  -19 32 o 164.913 4.2957  3304.75    171.889  3194.45    251.851  3400.95    235.181  161.978 6.4080  167.186 5.7975  -5.207474      8.641376 
1 1 1 -8  -19 33 o 116.237 3.7752  1641.22    106.475  1457.72    160.124  1786.67    142.559  109.271 6.0631  121.229 4.8464  -11.95781      7.762042 
1 1 1 -8  -19 34 o 164.351 4.2771  3282.40    170.563  3466.02    251.581  3126.22    232.029  168.737 6.1447  160.268 5.9667  8.469177       8.564973 
1 1 1 -8  -19 35 o 97.663  5.1896  1163.31    122.537  1208.00    195.837  1134.55    157.088  99.141  8.2150  96.265  6.7684  2.875862       10.64412 
1 1 1 -8  -19 36 f 181.085 6.3723  3993.97    279.989  4304.21    421.940  3749.89    374.262  187.576 9.2706  174.928 8.8464  12.64821       12.81414 
1 1 1 -8  -19 37 o 141.839 5.8784  2449.41    202.310  2137.68    312.457  2674.44    265.471  131.730 9.8468  148.059 7.3895  -16.32939      12.31115 
1 1 1 -8  -19 38 o 117.765 3.8835  1685.35    110.971  1555.27    169.882  1782.16    146.560  112.811 6.2304  121.034 4.9905  -8.223053      7.982690 
1 1 1 -8  -19 39 o 59.366  3.9729  430.305    56.898   383.942    91.969   459.054    72.421   55.666  6.9613  61.227  4.9163  -5.561230      8.522310 
1 1 1 -8  -19 40 o 113.538 3.8465  1567.11    105.966  1543.74    163.333  1584.10    139.250  112.366 6.0125  114.070 5.0311  -1.703835      7.839753 
1 1 1 -8  -19 41 o 182.922 4.6178  4073.25    204.959  4163.40    304.769  3998.82    276.938  184.568 6.8053  180.977 6.3066  3.590759       9.278233 
1 1 1 -8  -19 42 o 245.516 5.6322  7356.20    335.522  7307.54    490.473  7399.00    459.992  243.868 8.2889  245.596 7.7191  -1.727600      11.32652 
1 1 1 -8  -19 43 f 100.782 3.7915  1236.11    92.717   1340.70    146.344  1165.97    119.838  104.586 5.7894  97.631  5.0762  6.954887       7.699661 
1 1 1 -8  -19 44 o 79.364  3.8055  766.949    73.282   748.584    117.583  778.613    93.708   77.922  6.2721  79.728  4.8673  -1.806015      7.939132 
1 1 1 -8  -19 45 o 128.895 4.0690  2025.24    127.260  1969.08    195.966  2066.19    167.349  126.496 6.4056  129.976 5.3064  -3.479843      8.317991 
1 1 1 -8  -19 46 o 59.637  3.9692  435.587    57.108   552.677    95.918   371.289    71.079   66.850  5.9764  54.800  5.4164  12.04968       8.065670 
1 1 1 -8  -19 47 o 151.474 4.3701  2802.83    160.618  2676.27    245.494  2897.55    212.384  147.274 6.8699  153.644 5.6969  -6.370392      8.924721 
1 1 1 -8  -19 48 o 169.041 6.4958  3524.31    266.432  3633.92    392.531  3430.68    362.805  169.797 9.5665  165.272 9.0819  4.524323       13.19091 
1 1 1 -8  -19 49 o 110.010 5.7001  1492.10    151.631  1543.14    229.309  1452.44    202.132  110.771 8.5990  107.795 7.7803  2.975464       11.59640 
1 1 1 -8  -19 50 o 85.399  3.9226  890.762    81.280   1000.81    133.186  825.451    102.602  89.884  6.1436  81.843  5.1936  8.041183       8.044662 
1 1 1 -8  -19 51 o 87.643  4.0790  939.042    86.743   927.129    145.179  945.656    108.174  86.186  7.0028  87.619  5.1104  -1.432388      8.669205 
1 1 1 -8  -19 52 o 84.630  4.1826  876.365    85.889   747.398    146.598  943.771    105.983  76.930  7.9692  87.525  5.0113  -10.59534      9.413847 
1 1 1 -8  -19 53 o 43.544  5.1374  236.327    53.235   237.954    104.319  235.755    61.902   42.327  10.263  43.269  6.0625  -0.9419174     11.92020 
1 1 1 -8  -19 54 o 54.736  6.3924  376.713    83.299   461.947    169.460  349.556    95.653   58.271  12.368  52.261  7.7804  6.009583       14.61173 
1 1 1 -8  -19 55 o 45.029  7.1877  259.698    75.891   255.076    151.728  261.240    87.642   43.096  13.236  44.775  8.3749  -1.678768      15.66286 
1 1 1 -8  -19 56 o 99.167  7.6232  1247.66    182.025  1247.66    182.025  0.0000     0.0000   99.167  7.6232  ?       ?       0.000000       7.623199 
1 1 1 -8  -19 57 o 50.633  10.779  348.659    128.367  348.659    128.367  0.0000     0.0000   50.633  10.779  ?       ?       0.000000       10.77927 
1 1 1 -8  -19 58 o 69.531  4.6798  599.577    78.495   387.055    144.108  689.228    93.598   52.841  11.561  74.378  5.2193  -21.53730      12.68473 
1 1 1 -8  -19 59 o 49.967  5.4111  313.879    64.557   336.264    128.891  306.383    74.587   49.308  11.047  49.016  6.4262  0.2916756      12.78034 
1 1 1 -8  -19 60 o 88.583  4.8749  974.724    104.379  1033.22    199.055  952.539    122.583  88.506  9.4136  87.132  5.8319  1.374184       11.07368 
1 1 1 -8  -19 61 o 70.055  5.1739  612.519    87.324   1008.06    182.844  495.641    99.392   87.935  8.6828  62.393  6.6685  25.54244       10.94809 
1 1 1 -8  -19 62 o 89.611  6.8803  1019.56    148.457  1221.95    251.869  911.811    183.773  94.912  11.149  83.245  9.2550  11.66742       14.48993 
1 1 1 -8  -19 63 o 50.966  10.540  356.096    126.039  0.0000     0.0000   356.096    126.039  ?       ?       50.966  10.540  0.000000       10.53991 
1 1 1 -8  -19 64 o 42.535  8.2560  240.219    82.135   0.0000     0.0000   240.219    82.135   ?       ?       42.535  8.2560  0.000000       8.256018 
1 1 1 -8  -19 65 o 43.379  7.1370  245.566    72.508   327.643    154.007  222.191    82.187   47.088  13.035  40.613  8.6074  6.474545       15.62074 
1 1 1 -8  -18 1  o 350.783 7.2771  14985.41   619.390  16000.68   878.282  13980.85   873.636  361.859 10.003  338.088 10.650  23.77151       14.61081 
1 1 1 -8  -18 2  o 380.242 11.123  17683.05   1026.22  18482.77   1442.25  16862.97   1460.50  387.341 15.346  369.625 16.285  17.71579       22.37570 
1 1 1 -8  -18 3  o 421.612 12.231  21756.78   1251.28  23368.53   1761.10  20113.64   1778.17  435.310 16.673  403.244 18.174  32.06671       24.66327 
1 1 1 -8  -18 4  o 94.630  7.0308  1095.26    160.283  0.0000     0.0000   1095.26    160.283  ?       ?       94.630  7.0308  0.000000       7.030849 
1 1 1 -8  -18 5  o 204.833 9.7171  5113.66    482.945  0.0000     0.0000   5113.66    482.945  ?       ?       204.833 9.7171  0.000000       9.717061 
1 1 1 -8  -18 6  o 254.896 11.305  7927.80    699.213  0.0000     0.0000   7927.80    699.213  ?       ?       254.896 11.305  0.000000       11.30532 
1 1 1 -8  -18 7  o 197.312 6.6453  4731.94    318.150  5334.71    444.274  4097.46    455.813  209.362 8.7456  183.086 10.302  26.27599       13.51383 
1 1 1 -8  -18 8  o 458.692 13.078  25696.21   1455.50  26610.92   2052.11  24770.22   2064.72  465.348 18.174  448.712 18.964  16.63647       26.26670 
1 1 1 -8  -18 9  o 300.401 9.0362  10981.38   658.642  11746.97   925.871  10197.02   937.153  310.296 12.297  288.954 13.366  21.34158       18.16279 
1 1 1 -8  -18 10 o 271.201 5.8726  8934.18    386.441  9299.54    547.622  8571.77    545.404  276.532 8.1615  265.467 8.4673  11.06497       11.76032 
1 1 1 -8  -18 11 o 321.164 6.6980  12533.34   521.958  12958.69   739.269  12110.53   737.056  326.327 9.3365  315.437 9.6299  10.89041       13.41292 
1 1 1 -8  -18 12 o 250.654 5.5243  7630.26    335.981  7632.89    476.135  7627.66    474.169  250.564 7.8315  250.480 7.8018  0.8378601E-01  11.05447 
1 1 1 -8  -18 13 f 686.659 13.506  57560.68   2250.30  57134.46   3183.53  57986.31   3181.29  681.932 19.240  687.067 19.083  -5.135010      27.09841 
1 1 1 -8  -18 14 o 262.446 5.7239  8365.74    364.502  8006.82    516.438  8722.02    514.534  256.595 8.2948  267.839 7.9173  -11.24319      11.46679 
1 1 1 -8  -18 15 o 329.792 6.7914  13216.38   543.455  13278.55   773.813  13155.87   763.417  330.295 9.6554  328.775 9.5697  1.519836       13.59432 
1 1 1 -8  -18 16 o 276.120 5.9539  9261.51    398.898  8460.43    569.505  10033.03   558.898  263.702 8.9006  287.242 8.0190  -23.54077      11.98022 
1 1 1 -8  -18 17 o 316.199 6.5994  12149.57   506.321  11681.47   721.644  12603.42   710.578  309.768 9.6011  321.816 9.1000  -12.04813      13.22843 
1 1 1 -8  -18 18 o 470.249 9.4370  26921.68   1076.78  25588.18   1528.67  28234.91   1517.00  457.558 13.769  480.832 13.003  -23.27353      18.93811 
1 1 1 -8  -18 19 o 209.378 4.8498  5323.81    246.389  4824.04    354.150  5792.64    343.011  199.183 7.3278  218.319 6.4752  -19.13602      9.778753 
1 1 1 -8  -18 20 o 256.457 5.5518  7990.40    345.469  8151.61    494.656  7836.89    482.697  258.849 7.8758  253.807 7.8380  5.042618       11.11138 
1 1 1 -8  -18 21 o 200.423 4.6419  4878.50    225.740  5165.86    325.581  4612.48    313.263  206.136 6.5094  194.775 6.6285  11.36110       9.290260 
1 1 1 -8  -18 22 o 103.241 3.4456  1293.95    86.313   1231.71    127.896  1346.01    116.966  100.548 5.2605  105.272 4.5791  -4.723831      6.974376 
1 1 1 -8  -18 23 o 431.738 8.7176  22716.01   913.229  22219.33   1298.55  23202.04   1284.57  425.961 12.564  435.408 12.159  -9.446106      17.48403 
1 1 1 -8  -18 24 o 375.573 7.6665  17178.75   698.640  17454.67   995.436  16910.89   980.779  377.849 10.858  371.914 10.868  5.935150       15.36255 
1 1 1 -8  -18 25 o 349.975 7.1884  14915.02   610.429  15397.87   871.000  14448.92   855.755  354.951 10.113  343.803 10.258  11.14789       14.40517 
1 1 1 -8  -18 26 o 126.212 5.2759  1936.78    161.570  2072.91    233.803  1812.35    223.531  130.224 7.4302  121.714 7.6071  8.510269       10.63368 
1 1 1 -8  -18 27 o 99.871  4.9737  1212.56    120.526  1294.56    175.762  1139.78    165.592  102.842 7.0868  96.463  7.1253  6.379433       10.04947 
1 1 1 -8  -18 28 o 164.491 5.9704  3292.70    238.294  3529.70    343.114  3071.87    331.198  170.063 8.3150  158.381 8.6510  11.68201       11.99918 
1 1 1 -8  -18 29 o 85.678  3.4262  891.483    71.226   887.357    108.102  894.648    94.685   85.261  5.2509  85.675  4.5712  -0.4139481     6.961938 
1 1 1 -8  -18 30 o 131.806 3.7535  2110.22    120.044  2539.29    178.154  1753.40    162.465  144.515 5.0806  120.060 5.5770  24.45467       7.544234 
1 1 1 -8  -18 31 o 142.034 3.9655  2450.72    136.665  2435.19    201.787  2463.88    185.755  141.470 5.8785  142.335 5.3785  -0.8649292     7.967756 
1 1 1 -8  -18 32 o 53.532  3.7262  349.762    48.098   358.857    76.235   343.747    61.994   53.986  5.9167  52.953  4.8799  1.033730       7.669498 
1 1 1 -8  -18 33 o 99.513  3.5989  1202.74    86.899   1313.07    131.822  1117.95    115.565  103.779 5.2521  95.762  4.9908  8.017113       7.245167 
1 1 1 -8  -18 34 o 336.124 6.9969  13765.51   570.646  14311.31   818.628  13249.63   795.882  342.002 9.8649  329.043 9.9686  12.95950       14.02459 
1 1 1 -8  -18 35 o 185.583 6.5686  4194.67    295.784  4099.40    443.598  4270.94    396.891  182.721 10.044  186.982 8.7480  -4.261047      13.31950 
1 1 1 -8  -18 36 o 71.866  5.2488  631.533    90.893   860.816    152.334  504.780    113.263  83.670  7.5859  63.912  7.4431  19.75827       10.62761 
1 1 1 -8  -18 37 o 83.674  5.2975  855.168    107.000  843.947    176.831  861.649    134.397  82.601  8.9668  83.829  6.6623  -1.227821      11.17100 
1 1 1 -8  -18 38 o 162.200 4.3717  3198.32    172.053  3111.40    256.605  3269.31    231.906  159.770 6.6192  163.859 5.8328  -4.089752      8.822451 
1 1 1 -8  -18 39 o 189.127 4.7285  4350.94    216.990  4270.90    320.613  4418.58    294.755  187.077 7.0631  190.386 6.3806  -3.309250      9.518415 
1 1 1 -8  -18 40 o 266.888 6.7812  8694.36    439.140  8642.55    780.281  8718.38    531.263  264.317 12.166  266.881 8.2041  -2.564270      14.67407 
1 1 1 -8  -18 41 o 138.783 4.0197  2342.55    135.360  2809.11    206.065  1988.43    179.524  151.799 5.5946  127.692 5.7942  24.10683       8.054367 
1 1 1 -8  -18 42 o 264.373 5.8647  8532.25    376.208  8857.32    548.274  8243.03    517.165  268.483 8.4162  259.079 8.2268  9.404419       11.76918 
1 1 1 -8  -18 43 o 162.754 4.3848  3226.72    173.158  3384.32    261.006  3102.83    231.420  166.285 6.4689  159.320 5.9864  6.965118       8.813869 
1 1 1 -8  -18 44 f 217.773 5.1355  5790.95    271.363  6246.42    401.136  5406.63    368.472  225.421 7.3339  209.756 7.2398  15.66499       10.30532 
1 1 1 -8  -18 45 o 149.284 4.2260  2717.34    153.075  3084.14    233.510  2440.94    202.704  158.619 6.0672  141.148 5.9187  17.47113       8.475918 
1 1 1 -8  -18 46 o 85.077  3.8430  882.268    79.332   903.144    127.382  869.040    101.396  85.546  6.1783  84.158  4.9877  1.388466       7.940382 
1 1 1 -8  -18 47 o 52.976  4.2493  344.819    54.161   429.303    90.714   298.020    67.516   58.711  6.4756  48.942  5.7981  9.768841       8.692003 
1 1 1 -8  -18 48 o 67.962  5.7235  571.310    93.503   546.225    144.446  589.402    122.672  65.405  9.3695  68.580  7.4940  -3.174355      11.99784 
1 1 1 -8  -18 49 o 67.589  5.7063  565.499    92.709   567.381    145.817  564.222    120.110  66.649  9.2677  67.030  7.5142  -0.3819733     11.93117 
1 1 1 -8  -18 50 o 70.877  4.0299  615.660    69.018   546.656    115.841  653.635    85.935   65.980  7.3613  72.867  4.8888  -6.887321      8.836761 
1 1 1 -8  -18 51 o 22.887  7.1630  64.628     44.201   15.378     92.264   79.298     50.356   23.137  9.7157  25.126  7.6067  -1.989611      12.33926 
1 1 1 -8  -18 52 o 108.127 4.2034  1430.50    110.281  1316.93    179.551  1499.30    139.747  102.655 7.2552  110.446 5.2147  -7.790123      8.934805 
1 1 1 -8  -18 53 o 56.472  4.5203  393.447    61.420   416.571    113.435  383.855    73.057   56.996  8.4589  55.556  5.4914  1.440308       10.08512 
1 1 1 -8  -18 54 o 53.057  6.5313  354.689    82.306   346.031    170.327  357.326    94.011   49.917  13.664  52.942  7.5306  -3.024868      15.60161 
1 1 1 -8  -18 55 o 34.524  12.961  133.675    147.064  133.675    147.064  0.0000     0.0000   34.524  12.961  ?       ?       0.000000       12.96076 
1 1 1 -8  -18 56 o 55.554  9.4627  406.415    122.981  406.415    122.981  0.0000     0.0000   55.554  9.4627  ?       ?       0.000000       9.462710 
1 1 1 -8  -18 57 o 43.320  5.8304  237.299    59.728   159.436    118.613  263.749    69.132   34.968  11.792  45.518  6.4391  -10.54983      13.43588 
1 1 1 -8  -18 58 o 42.508  5.7795  228.888    58.065   194.983    114.525  240.619    67.366   37.731  11.483  43.332  6.6170  -5.600632      13.25267 
1 1 1 -8  -18 59 o 17.104  7.1479  9.9804     49.570   123.645    107.281  -20.8745   55.895   31.529  11.185  15.780  7.0702  15.74962       13.23252 
1 1 1 -8  -18 60 o 27.851  8.2485  101.681    59.693   55.694     137.187  112.421    66.298   28.793  11.950  29.204  8.7028  -0.4112301     14.78299 
1 1 1 -8  -18 61 o 53.770  5.9129  365.252    75.870   244.309    161.618  399.438    85.926   41.519  13.762  56.060  6.4335  -14.54120      15.19114 
1 1 1 -8  -18 62 o 82.155  7.0880  859.470    139.911  1092.58    243.997  745.276    170.775  89.487  11.504  75.012  9.6032  14.47487       14.98515 
1 1 1 -8  -18 63 o 22.626  9.8304  0.0028     100.424  0.0000     0.0000   0.0028     100.424  ?       ?       22.626  9.8304  0.000000       9.830359 
1 1 1 -8  -18 64 o 82.494  5.5071  852.601    109.600  718.269    254.830  883.089    121.401  68.508  15.670  83.708  6.0173  -15.20064      16.78588 
1 1 1 -8  -17 1  o 275.655 6.8713  9244.19    459.589  9883.36    789.658  8916.77    565.174  284.328 11.446  270.516 8.6104  13.81235       14.32311 
1 1 1 -8  -17 2  o 110.869 3.6070  1492.27    97.032   1626.51    139.369  1365.99    135.174  115.713 4.9639  106.034 5.2539  9.679367       7.228005 
1 1 1 -8  -17 3  o 181.930 6.2542  4022.87    276.085  0.0000     0.0000   4022.87    276.085  ?       ?       181.930 6.2542  0.000000       6.254246 
1 1 1 -8  -17 4  o 510.304 14.411  31870.36   1784.36  0.0000     0.0000   31870.36   1784.36  ?       ?       510.304 14.411  0.000000       14.41083 
1 1 1 -8  -17 5  o 154.894 8.2623  2926.65    309.406  0.0000     0.0000   2926.65    309.406  ?       ?       154.894 8.2623  0.000000       8.262306 
1 1 1 -8  -17 6  o 405.804 11.689  20076.29   1150.97  20807.30   1621.16  19333.32   1634.35  412.202 16.209  397.159 16.960  15.04346       23.45971 
1 1 1 -8  -17 7  o 172.148 6.0152  3599.71    251.255  3382.96    350.009  3830.14    360.898  166.550 8.6912  177.471 8.3809  -10.92159      12.07382 
1 1 1 -8  -17 8  o 70.836  4.5437  611.663    77.684   671.518    106.129  542.580    114.018  74.118  5.9515  66.433  7.1879  7.684319       9.332020 
1 1 1 -8  -17 9  o 293.715 8.8467  10491.74   630.477  11050.61   887.067  9921.21    896.262  301.112 12.141  285.220 12.951  15.89197       17.75187 
1 1 1 -8  -17 10 o 256.745 7.9297  8012.49    493.997  7981.00    694.580  8044.73    702.725  255.998 11.182  257.011 11.269  -1.012543      15.87514 
1 1 1 -8  -17 11 f 206.448 5.5131  5175.50    276.164  5261.43    477.654  5132.35    338.471  207.971 9.4656  205.538 6.7868  2.433121       11.64723 
1 1 1 -8  -17 12 o 344.173 7.1383  14392.83   596.122  14376.13   844.084  14409.46   842.007  343.711 10.121  344.113 10.084  -0.4020081     14.28749 
1 1 1 -8  -17 13 o 342.541 7.1261  14256.55   592.282  13709.38   838.556  14801.28   836.672  335.628 10.297  348.780 9.8864  -13.15256      14.27477 
1 1 1 -8  -17 14 o 193.380 4.5120  4539.64    211.710  4632.03    304.092  4452.74    294.925  195.277 6.4179  191.463 6.3484  3.814026       9.027224 
1 1 1 -8  -17 15 f 268.682 5.7551  8766.94    375.190  8688.67    535.791  8842.24    525.556  267.337 8.2599  269.705 8.0309  -2.367554      11.52047 
1 1 1 -8  -17 16 o 313.517 6.5602  11941.00   499.044  11519.17   711.168  12350.22   700.464  307.701 9.5253  318.650 9.0596  -10.94919      13.14564 
1 1 1 -8  -17 17 o 80.480  3.2545  786.059    63.553   619.259    93.991   926.549    86.261   71.199  5.4828  87.368  4.0691  -16.16830      6.827762 
1 1 1 -8  -17 18 o 173.033 4.2103  3634.54    176.767  3857.56    255.544  3429.92    244.777  178.211 5.9097  168.040 6.0034  10.17136       8.424079 
1 1 1 -8  -17 19 o 411.070 8.2751  20550.88   825.381  20649.22   1173.33  20454.55   1161.30  411.542 11.750  409.608 11.684  1.933258       16.57082 
1 1 1 -8  -17 20 o 139.946 3.7635  2377.35    127.796  2809.93    186.174  1991.92    175.738  152.113 5.0442  128.056 5.6559  24.05713       7.578429 
1 1 1 -8  -17 21 o 523.756 10.398  33433.16   1321.41  33261.29   1875.35  33602.62   1862.22  521.180 14.830  523.906 14.649  -2.725952      20.84508 
1 1 1 -8  -17 22 o 175.776 4.2885  3751.71    182.907  3932.46    264.967  3587.16    252.800  179.883 6.0707  171.804 6.0643  8.078659       8.580727 
1 1 1 -8  -17 23 o 119.424 3.6705  1731.51    106.362  1346.79    156.355  2062.89    145.111  105.078 6.1594  130.326 4.5889  -25.24847      7.680879 
1 1 1 -8  -17 24 o 269.094 5.8095  8802.45    379.319  8879.27    543.605  8729.54    529.548  269.987 8.2981  267.720 8.1519  2.267120       11.63238 
1 1 1 -8  -17 25 o 170.998 4.2799  3551.72    177.578  3535.68    257.857  3566.18    244.910  170.496 6.2330  171.253 5.8939  -0.7570190     8.578392 
1 1 1 -8  -17 26 o 251.725 7.8562  7721.97    479.849  7742.19    683.390  7702.31    673.927  251.475 11.200  250.852 11.072  0.6229248      15.74885 
1 1 1 -8  -17 27 o 158.955 5.8764  3073.75    226.648  2980.90    325.349  3161.29    315.918  156.057 8.6256  160.802 8.1232  -4.744598      11.84854 
1 1 1 -8  -17 28 f 292.344 8.8499  10436.42   627.768  10575.72   892.906  10300.28   882.775  293.329 12.545  289.477 12.568  3.851807       17.75803 
1 1 1 -8  -17 29 o 231.804 7.4155  6549.37    417.083  6854.65    595.152  6254.73    584.677  236.620 10.366  225.969 10.664  10.65112       14.87167 
1 1 1 -8  -17 30 o 300.846 6.3867  11018.00   466.216  11171.58   668.717  10872.75   650.326  302.402 9.1137  298.359 8.9831  4.042633       12.79669 
1 1 1 -8  -17 31 o 340.141 7.1831  14096.38   592.832  13381.10   848.145  14779.67   828.966  330.577 10.574  347.641 9.8275  -17.06424      14.43556 
1 1 1 -8  -17 32 o 75.667  3.5047  695.322    64.346   793.279    98.922   623.479    84.717   80.617  5.0832  71.448  4.9167  9.169220       7.071936 
1 1 1 -8  -17 33 o 310.013 6.6398  11702.95   499.456  11302.93   717.104  12079.81   696.042  304.029 9.7208  314.451 9.1226  -10.42209      13.33102 
1 1 1 -8  -17 34 o 82.786  3.7272  832.462    74.870   609.074    115.103  996.294    98.573   70.388  6.8252  90.543  4.4868  -20.15469      8.167946 
1 1 1 -8  -17 35 o 210.784 7.0305  5413.66    359.575  5604.54    534.280  5255.62    486.153  213.939 10.292  207.286 9.6658  6.653595       14.11952 
1 1 1 -8  -17 36 o 42.993  6.5387  230.200    66.061   228.534    116.516  230.989    80.197   42.401  11.170  42.825  8.0123  -0.4245491     13.74613 
1 1 1 -8  -17 37 o 141.915 5.7690  2451.24    198.653  2482.23    306.329  2428.74    260.968  142.219 8.9222  140.885 7.6630  1.334503       11.76122 
1 1 1 -8  -17 38 o 284.106 6.2332  9832.13    429.687  9706.98    621.506  9946.73    594.717  281.652 9.0943  285.240 8.5928  -3.587677      12.51171 
1 1 1 -8  -17 39 o 133.816 4.0308  2176.51    130.876  2244.50    198.289  2124.02    174.212  135.735 6.0206  132.092 5.4355  3.642731       8.111253 
1 1 1 -8  -17 40 o 165.731 4.9995  3343.03    201.044  3361.58    368.002  3335.14    240.028  165.305 9.2115  165.420 5.9801  -0.1152344     10.98240 
1 1 1 -8  -17 41 f 193.395 4.8496  4553.68    227.570  4336.46    336.406  4736.95    309.003  188.292 7.3632  196.979 6.4652  -8.685928      9.798736 
1 1 1 -8  -17 42 o 147.768 4.2753  2657.66    153.290  2520.09    231.431  2765.19    204.608  143.566 6.6437  150.554 5.6010  -6.988556      8.689623 
1 1 1 -8  -17 43 o 76.483  3.8100  711.815    70.705   696.872    114.780  720.953    89.757   75.214  6.3486  76.751  4.8446  -1.536316      7.985917 
1 1 1 -8  -17 44 o 64.033  3.9874  501.256    61.645   356.966    102.118  583.983    77.322   53.231  8.1670  69.047  4.6423  -15.81525      9.394159 
1 1 1 -8  -17 45 f 107.412 3.9235  1405.71    102.256  1335.40    160.927  1453.32    132.426  104.134 6.4000  109.071 5.0038  -4.936432      8.123918 
1 1 1 -8  -17 46 o 49.727  4.2892  303.932    51.246   376.216    87.597   266.320    63.187   54.908  6.7149  46.268  5.7526  8.639786       8.842024 
1 1 1 -8  -17 47 f 53.114  4.3297  346.744    55.314   241.771    94.268   401.866    68.311   43.220  9.2673  57.095  4.9808  -13.87516      10.52098 
1 1 1 -8  -17 48 o 77.057  5.7149  733.194    106.092  649.703    164.647  792.471    138.732  71.305  9.7735  79.717  7.2517  -8.411690      12.16995 
1 1 1 -8  -17 49 o 57.733  6.0624  414.695    83.657   620.647    136.194  289.907    106.014  70.151  8.1534  47.231  9.5784  22.92039       12.57869 
1 1 1 -8  -17 50 o 19.148  6.7280  40.210     38.730   76.948     75.716   27.191     45.073   26.383  9.3929  18.338  7.1032  8.045633       11.77634 
1 1 1 -8  -17 51 f 38.321  5.6297  184.350    50.786   217.148    95.565   171.442    59.953   40.668  9.8001  36.616  7.0033  4.052723       12.04526 
1 1 1 -8  -17 52 o 20.284  7.1768  44.976     44.137   64.608     91.263   38.983     50.427   26.476  10.147  20.247  7.5916  6.229021       12.67226 
1 1 1 -8  -17 53 o 81.295  4.3493  811.883    85.482   819.741    143.458  807.557    106.442  80.753  7.4039  80.790  5.4620  -0.3632355E-01 9.200626 
1 1 1 -8  -17 54 f 103.355 6.1851  1328.59    154.398  690.563    273.414  1627.31    187.083  69.111  16.528  114.144 6.7854  -45.03277      17.86621 
1 1 1 -8  -17 55 o 87.785  11.378  1022.86    236.650  1022.86    236.650  0.0000     0.0000   87.785  11.378  ?       ?       0.000000       11.37788 
1 1 1 -8  -17 56 o 77.593  5.9432  752.131    111.044  646.360    149.874  880.860    165.341  70.615  8.9478  82.905  8.3321  -12.28960      12.22654 
1 1 1 -8  -17 57 o 41.581  6.0862  219.671    59.588   283.570    117.932  197.766    69.050   45.578  10.825  38.953  7.5784  6.625053       13.21387 
1 1 1 -8  -17 58 o 42.014  6.0312  224.437    59.720   208.047    117.492  230.146    69.347   38.870  11.586  42.233  7.0132  -3.362892      13.54325 
1 1 1 -8  -17 59 f 73.547  4.6811  670.842    83.103   606.216    155.099  696.867    98.423   67.524  9.7488  74.673  5.4702  -7.148811      11.17862 
1 1 1 -8  -17 60 o 20.621  8.1716  33.360     60.805   9.0433     134.712  39.582     68.141   26.291  11.404  21.941  8.6645  4.349991       14.32240 
1 1 1 -8  -17 61 o 22.136  8.3836  48.464     61.841   -143.1258  118.903  119.504    72.404   18.994  9.0895  30.103  9.1230  -11.10888      12.87821 
1 1 1 -8  -17 62 o 53.933  10.839  398.126    136.925  0.0000     0.0000   398.126    136.925  ?       ?       53.933  10.839  0.000000       10.83921 
1 1 1 -8  -17 63 o 17.345  7.9415  -43.7391   75.261   -25.3631   143.093  -50.7666   88.490   25.458  11.366  18.742  8.5923  6.715918       14.24855 
1 1 1 -8  -17 64 o 19.869  8.1474  22.642     62.755   -105.2591  131.710  60.206     71.378   21.399  10.037  23.968  9.0233  -2.569038      13.49688 
1 1 1 -8  -16 1  o 453.504 9.1103  25047.87   1002.49  26308.81   1419.65  23793.73   1415.82  463.961 12.611  441.064 13.229  22.89694       18.27690 
1 1 1 -8  -16 2  o 415.786 9.6659  21054.62   975.160  21998.68   1683.07  20577.54   1196.45  423.485 16.379  410.620 12.009  12.86481       20.30989 
1 1 1 -8  -16 3  o 582.425 16.351  41561.99   2310.71  0.0000     0.0000   41561.99   2310.71  ?       ?       582.425 16.351  0.000000       16.35087 
1 1 1 -8  -16 4  o 216.167 6.9763  5678.39    365.914  0.0000     0.0000   5678.39    365.914  ?       ?       216.167 6.9763  0.000000       6.976310 
1 1 1 -8  -16 5  o 64.823  3.2995  511.294    51.726   549.424    76.665   479.432    70.080   67.105  4.7389  62.670  4.6416  4.434574       6.633423 
1 1 1 -8  -16 6  o 436.900 8.8238  23212.01   935.405  23335.34   1324.22  23089.19   1321.51  437.550 12.473  435.230 12.514  2.320526       17.66828 
1 1 1 -8  -16 7  o 359.103 10.443  15693.97   909.923  15817.58   1281.69  15568.36   1292.02  359.966 14.674  357.083 14.912  2.882965       20.92140 
1 1 1 -8  -16 8  o 306.303 9.1161  11408.86   677.525  11345.97   953.926  11472.89   962.461  305.106 12.885  306.803 12.929  -1.697021      18.25349 
1 1 1 -8  -16 9  o 292.299 8.7896  10387.33   623.392  10603.33   877.873  10167.61   885.395  295.030 12.263  288.868 12.632  6.161316       17.60547 
1 1 1 -8  -16 10 o 734.271 20.392  66139.53   3633.20  65896.67   5134.62  66383.05   5141.62  728.806 29.036  731.529 28.967  -2.722839      41.01421 
1 1 1 -8  -16 11 o 600.107 16.771  44017.33   2442.00  44456.16   3450.10  43576.76   3456.92  600.887 23.663  594.807 23.952  6.080017       33.67001 
1 1 1 -8  -16 12 o 484.769 9.5955  28579.92   1128.66  28749.66   1601.14  28412.27   1591.25  485.613 13.589  482.756 13.585  2.857178       19.21436 
1 1 1 -8  -16 13 o 601.297 11.873  44028.62   1732.22  42301.06   2454.95  45741.57   2444.54  588.178 17.202  611.830 16.467  -23.65143      23.81264 
1 1 1 -8  -16 14 o 731.264 14.289  65230.84   2535.36  64241.98   3590.86  66213.84   3580.24  723.639 20.451  734.807 20.081  -11.16797      28.66125 
1 1 1 -8  -16 15 o 285.607 6.0571  9906.17    419.754  9638.92    598.818  10164.35   588.557  281.574 8.7647  289.172 8.3882  -7.598053      12.13185 
1 1 1 -8  -16 16 o 303.066 6.3254  11155.57   465.148  11411.69   663.198  10907.59   652.567  306.356 8.9218  299.509 8.9795  6.847321       12.65818 
1 1 1 -8  -16 17 o 356.906 7.2823  15477.61   630.648  15789.18   897.474  15173.70   886.370  360.209 10.268  353.111 10.345  7.098511       14.57615 
1 1 1 -8  -16 18 o 445.678 8.9426  24155.61   967.050  23728.46   1373.47  24575.56   1361.84  441.160 12.831  449.022 12.500  -7.861938      17.91288 
1 1 1 -8  -16 19 o 65.862  3.2794  526.450    52.408   496.321    78.857   550.284    70.140   63.727  5.1436  67.189  4.3253  -3.462154      6.720485 
1 1 1 -8  -16 20 o 223.859 5.0229  6084.92    272.833  6410.68    391.893  5778.52    380.068  229.679 7.0320  218.053 7.1835  11.62617       10.05248 
1 1 1 -8  -16 21 o 605.520 11.934  44718.06   1753.40  44091.89   2486.33  45337.58   2473.08  599.611 17.089  608.147 16.760  -8.535828      23.93602 
1 1 1 -8  -16 22 o 416.279 8.2834  21083.18   836.674  22844.03   1190.17  19362.80   1176.42  432.779 11.334  398.279 12.173  34.50006       16.63273 
1 1 1 -8  -16 23 o 455.583 9.1512  25279.46   1011.60  25154.99   1437.80  25401.47   1423.54  453.542 13.065  455.812 12.871  -2.269806      18.34036 
1 1 1 -8  -16 24 o 384.491 7.8109  17993.09   728.705  18443.07   1038.00  17555.81   1023.25  388.654 11.007  379.164 11.122  9.489380       15.64791 
1 1 1 -8  -16 25 o 155.846 4.0957  2949.62    154.876  2903.05    226.079  2990.80    212.598  154.520 6.0299  156.863 5.5857  -2.342133      8.219462 
1 1 1 -8  -16 26 o 237.523 5.3734  6857.91    309.684  6409.65    445.801  7275.95    430.518  229.356 8.0106  244.459 7.2581  -15.10289      10.80973 
1 1 1 -8  -16 27 o 174.622 6.1951  3709.99    262.488  3675.53    375.765  3742.83    366.826  173.310 8.9664  175.157 8.6311  -1.847214      12.44558 
1 1 1 -8  -16 28 o 481.526 13.742  28556.93   1605.54  29270.12   2275.66  27850.08   2265.53  483.939 19.380  471.757 19.792  12.18176       27.70021 
1 1 1 -8  -16 29 o 195.666 6.6448  4661.84    315.473  4845.78    451.419  4486.26    441.053  199.134 9.3427  191.582 9.4879  7.551117       13.31564 
1 1 1 -8  -16 30 o 80.944  3.4567  795.669    67.891   1042.93    103.840  611.060    89.725   92.636  4.6198  70.694  5.2686  21.94152       7.007163 
1 1 1 -8  -16 31 o 276.257 6.1092  9287.08    409.505  8523.25    588.885  10002.30   569.839  264.147 9.1880  286.348 8.2015  -22.20154      12.31600 
1 1 1 -8  -16 32 o 63.619  3.3521  492.837    51.562   472.813    73.409   512.334    72.438   62.174  4.9059  64.762  4.6406  -2.587925      6.752973 
1 1 1 -8  -16 33 o 113.936 3.5964  1576.58    99.424   1541.77    142.891  1609.25    138.429  112.604 5.2298  115.055 4.9586  -2.450806      7.206810 
1 1 1 -8  -16 34 o 69.832  3.4479  592.207    58.421   618.437    83.161   566.647    82.089   71.163  4.8450  68.088  5.0038  3.074913       6.965064 
1 1 1 -8  -16 35 o 100.785 5.4203  1238.98    132.064  851.985    210.945  1488.43    169.361  82.716  10.765  110.392 6.3496  -27.67531      12.49844 
1 1 1 -8  -16 36 o 208.613 7.0641  5303.35    357.572  5258.78    532.266  5340.01    482.724  206.889 10.639  208.955 9.5210  -2.066162      14.27714 
1 1 1 -8  -16 37 o 201.653 6.9005  4955.54    337.634  5072.69    506.006  4861.52    453.303  203.213 10.296  199.355 9.3713  3.858383       13.92208 
1 1 1 -8  -16 38 o 86.525  4.0737  909.815    85.525   899.658    107.435  927.390    141.316  85.841  5.1823  86.971  6.7494  -1.130035      8.509510 
1 1 1 -8  -16 39 o 69.120  3.5359  581.943    59.103   630.225    85.050   536.849    82.193   71.811  4.9106  66.224  5.1558  5.587128       7.120096 
1 1 1 -8  -16 40 o 122.412 3.7193  1821.13    110.472  1715.52    158.531  1920.81    154.029  118.686 5.5049  125.624 5.0532  -6.938545      7.472524 
1 1 1 -8  -16 41 o 181.568 4.4719  4011.41    197.013  3968.11    282.881  4052.20    274.544  180.295 6.4663  182.239 6.2088  -1.944061      8.964476 
1 1 1 -8  -16 42 o 191.208 4.7039  4452.67    218.235  4507.33    313.162  4401.06    304.291  191.994 6.7223  189.742 6.6094  2.252167       9.427260 
1 1 1 -8  -16 43 o 80.347  3.4625  785.125    67.503   769.892    96.821   799.532    94.161   79.295  5.0586  80.846  4.8220  -1.550896      6.988673 
1 1 1 -8  -16 44 o 53.324  3.9617  348.154    50.892   315.663    78.706   371.501    66.716   50.330  6.6043  54.940  5.0616  -4.609802      8.320860 
1 1 1 -8  -16 45 o 142.705 4.0781  2481.96    141.208  2501.08    203.872  2464.32    195.772  142.902 5.8797  141.892 5.6863  1.010834       8.179528 
1 1 1 -8  -16 46 o 93.334  3.5873  1061.09    81.241   1085.28    117.391  1038.86    112.546  94.053  5.1638  92.034  5.0593  2.018791       7.229150 
1 1 1 -8  -16 47 o 21.654  5.8361  59.498     31.358   -8.5889    41.816   146.990    47.402   14.418  6.3023  34.124  5.9409  -19.70597      8.660973 
1 1 1 -8  -16 48 o 94.906  4.8647  1105.32    111.648  1229.90    146.836  934.570    171.899  99.812  6.0922  86.284  8.3135  13.52749       10.30676 
1 1 1 -8  -16 49 o 92.365  4.8272  1047.47    107.809  1123.74    141.194  940.833    166.953  95.336  6.1363  86.605  8.0364  8.731003       10.11131 
1 1 1 -8  -16 50 o 69.856  3.6117  596.817    61.009   593.264    87.237   600.219    85.353   69.344  5.2231  69.784  5.0756  -0.4394989     7.282976 
1 1 1 -8  -16 51 o 35.924  5.8801  162.902    49.482   165.295    96.920   162.058    57.547   35.677  10.495  35.599  6.9115  0.7873917E-01  12.56645 
1 1 1 -8  -16 52 o 104.498 4.3774  1336.82    110.990  1153.53    177.495  1454.50    142.227  95.894  7.6931  108.749 5.3901  -12.85502      9.393450 
1 1 1 -8  -16 53 o 72.722  4.4516  650.489    78.171   692.220    139.111  631.230    94.503   73.990  7.8694  71.377  5.4990  2.613144       9.600368 
1 1 1 -8  -16 54 o 45.078  13.768  278.341    164.440  278.341    164.440  0.0000     0.0000   45.078  13.768  ?       ?       0.000000       13.76816 
1 1 1 -8  -16 55 o 17.998  8.5820  -125.5713  104.031  -125.5713  104.031  0.0000     0.0000   17.998  8.5820  ?       ?       0.000000       8.582035 
1 1 1 -8  -16 56 o 27.572  7.4100  98.960     50.637   102.783    104.279  97.781     57.925   30.041  10.979  27.505  8.1199  2.535919       13.65573 
1 1 1 -8  -16 57 o 24.105  7.7294  72.589     51.200   158.417    104.205  45.275     58.786   34.586  11.020  21.606  8.1761  12.97944       13.72206 
1 1 1 -8  -16 58 o 81.771  4.6091  827.405    91.077   783.297    161.273  848.060    110.360  77.645  8.7104  82.430  5.5501  -4.785004      10.32829 
1 1 1 -8  -16 59 o 36.339  6.6943  170.823    56.850   221.499    112.513  153.450    65.878   40.032  11.163  34.015  8.0984  6.016487       13.79122 
1 1 1 -8  -16 60 o 60.893  5.6397  465.394    82.382   547.062    170.183  440.400    94.148   63.029  11.554  58.815  6.7177  4.213966       13.36473 
1 1 1 -8  -16 61 o 25.439  9.2876  72.390     74.590   0.0000     0.0000   72.390     74.590   ?       ?       25.439  9.2876  0.000000       9.287587 
1 1 1 -8  -16 62 o 42.701  11.180  252.803    117.199  0.0000     0.0000   252.803    117.199  ?       ?       42.701  11.180  0.000000       11.17994 
1 1 1 -8  -16 63 o 69.842  7.7514  628.961    129.144  578.188    220.093  655.621    159.486  62.395  14.767  70.260  9.6068  -7.864929      17.61701 
1 1 1 -8  -16 64 o 37.848  7.6561  189.058    67.895   242.552    134.889  170.906    78.574   41.215  12.444  35.518  9.0818  5.696243       15.40526 
1 1 1 -8  -15 1  o 604.920 11.799  44622.77   1731.85  46597.21   2451.07  42654.35   2447.34  616.698 16.380  589.770 17.102  26.92822       23.68103 
1 1 1 -8  -15 2  o 492.778 13.910  29649.12   1663.15  0.0000     0.0000   29649.12   1663.15  ?       ?       492.778 13.910  0.000000       13.90966 
1 1 1 -8  -15 3  o 154.507 5.6904  2899.08    213.332  0.0000     0.0000   2899.08    213.332  ?       ?       154.507 5.6904  0.000000       5.690437 
1 1 1 -8  -15 4  o 401.244 8.0909  19568.99   787.719  20993.86   1115.66  18152.54   1112.35  415.255 11.073  386.031 11.876  29.22342       16.23683 
1 1 1 -8  -15 5  o 137.896 3.8184  2307.86    127.760  2408.73    182.267  2210.42    179.134  140.850 5.3332  134.925 5.4717  5.925583       7.640813 
1 1 1 -8  -15 6  o 248.973 5.5023  7526.35    332.401  7517.30    471.456  7535.30    468.729  248.723 7.8120  249.023 7.7574  -0.3004150     11.00931 
1 1 1 -8  -15 7  o 351.373 7.2150  14998.50   615.134  15464.05   871.210  14535.68   868.659  356.561 10.070  345.667 10.357  10.89432       14.44532 
1 1 1 -8  -15 8  o 115.909 5.0323  1630.96    141.531  1902.73    197.404  1343.49    203.023  124.997 6.5313  104.841 8.0422  20.15594       10.36026 
1 1 1 -8  -15 9  o 382.961 11.067  17846.35   1028.35  18369.75   1451.07  17318.26   1457.56  387.990 15.414  376.645 15.949  11.34521       22.17992 
1 1 1 -8  -15 10 o 161.075 5.8631  3150.32    229.148  3449.20    321.425  2841.42    326.771  168.487 7.8623  152.637 8.8612  15.85025       11.84639 
1 1 1 -8  -15 11 f 427.310 12.177  22232.00   1262.51  21530.03   1793.78  22921.08   1777.24  419.690 17.615  433.163 16.910  -13.47260      24.41744 
1 1 1 -8  -15 12 o 421.123 12.023  21590.90   1228.56  20922.67   1746.74  22245.09   1728.31  413.766 17.398  426.766 16.690  -12.99957      24.10962 
1 1 1 -8  -15 13 o 161.138 4.0806  3151.40    159.544  2821.04    230.070  3457.44    221.437  152.417 6.2210  168.755 5.4079  -16.33780      8.242989 
1 1 1 -8  -15 14 o 383.942 7.8246  17910.92   728.939  17043.67   1036.05  18761.07   1025.78  374.215 11.410  392.685 10.766  -18.47009      15.68744 
1 1 1 -8  -15 15 o 145.764 3.8831  2578.68    137.338  2204.29    198.746  2920.83    189.999  134.731 6.0795  155.113 5.0482  -20.38211      7.902198 
1 1 1 -8  -15 16 o 343.135 7.0109  14302.33   583.721  15089.33   830.987  13535.75   820.132  352.246 9.7227  333.585 10.132  18.66040       14.04265 
1 1 1 -8  -15 17 o 256.640 5.5792  7997.21    347.427  7809.28    496.666  8177.28    486.174  253.493 8.0748  259.416 7.7238  -5.922806      11.17408 
1 1 1 -8  -15 18 o 137.052 3.8002  2279.70    126.374  2131.80    183.861  2412.14    173.988  132.499 5.7189  140.955 5.0871  -8.456085      7.654068 
1 1 1 -8  -15 19 o 396.438 8.0127  19102.32   770.759  19616.40   1096.15  18599.59   1083.99  401.377 11.255  390.814 11.431  10.56342       16.04217 
1 1 1 -8  -15 20 f 151.954 4.0238  2802.67    148.357  2574.42    215.393  3008.68    204.637  145.588 6.0974  157.409 5.3579  -11.82123      8.116916 
1 1 1 -8  -15 21 o 513.587 10.132  32110.05   1262.60  32891.45   1792.31  31340.29   1778.93  518.940 14.234  506.498 14.475  12.44214       20.30109 
1 1 1 -8  -15 22 o 600.243 11.712  43933.19   1705.85  46099.76   2419.50  41791.76   2405.42  613.429 16.255  583.805 16.981  29.62366       23.50717 
1 1 1 -8  -15 23 o 509.303 10.201  31607.57   1260.57  30618.22   1789.95  32581.11   1775.59  500.075 14.752  516.034 14.181  -15.95905      20.46227 
1 1 1 -8  -15 24 o 364.839 7.4851  16192.24   662.617  16243.67   944.503  16142.40   929.833  364.912 10.667  363.798 10.534  1.114655       14.99160 
1 1 1 -8  -15 25 o 187.344 4.5410  4262.91    206.422  4226.21    299.106  4296.29    285.237  186.416 6.6127  187.979 6.2536  -1.563019      9.101400 
1 1 1 -8  -15 26 o 197.963 4.7136  4761.14    226.415  4761.06    327.859  4761.21    313.051  197.809 6.8309  197.838 6.5214  -0.2873230E-01 9.444035 
1 1 1 -8  -15 27 o 251.331 7.7045  7695.67    469.848  7586.83    655.233  7810.87    674.101  249.038 10.843  252.659 10.996  -3.620804      15.44303 
1 1 1 -8  -15 28 o 362.025 10.484  16035.76   920.923  15874.05   1292.33  16202.61   1312.68  358.676 14.849  362.336 14.931  -3.659393      21.05776 
1 1 1 -8  -15 29 o 225.866 7.2217  6215.44    395.783  6751.12    550.275  5641.32    569.671  235.009 9.6501  214.314 10.992  20.69463       14.62690 
1 1 1 -8  -15 30 o 162.645 4.1102  3213.76    162.206  3150.62    231.836  3274.30    227.028  160.919 5.9376  164.066 5.7029  -3.146439      8.232734 
1 1 1 -8  -15 31 o 299.670 6.4165  10930.81   466.554  10913.40   663.534  10947.83   656.143  298.923 9.1483  299.420 9.0314  -0.4965210     12.85523 
1 1 1 -8  -15 32 o 164.795 4.1812  3299.33    167.189  3306.64    238.965  3292.33    233.996  164.857 5.9740  164.509 5.8621  0.3483276      8.369744 
1 1 1 -8  -15 33 o 196.910 4.6414  4712.15    221.757  4936.27    316.772  4496.77    310.545  201.372 6.4831  192.181 6.6596  9.191498       9.294164 
1 1 1 -8  -15 34 o 287.319 6.1646  10046.43   429.767  10070.04   612.059  10023.46   603.595  287.198 8.7831  286.554 8.6811  0.6442261      12.34928 
1 1 1 -8  -15 35 o 81.408  5.3640  809.455    105.362  777.553    170.841  829.036    133.847  79.281  9.0427  82.231  6.7684  -2.949951      11.29519 
1 1 1 -8  -15 36 o 96.764  5.3091  1142.16    124.174  1063.99    197.655  1193.13    159.603  92.914  8.8752  98.751  6.7006  -5.836678      11.12058 
1 1 1 -8  -15 37 o 288.662 8.9728  10184.48   628.467  9948.24    917.393  10393.38   862.699  284.035 13.311  290.686 12.231  -6.650665      18.07742 
1 1 1 -8  -15 38 o 253.335 6.4335  7818.39    395.466  7955.85    489.339  7559.56    671.467  255.286 7.8999  248.084 11.155  7.201767       13.66884 
1 1 1 -8  -15 39 o 260.738 5.7134  8277.61    361.460  8265.26    515.641  8289.53    506.836  260.056 8.1718  260.473 8.0194  -0.4168091     11.44937 
1 1 1 -8  -15 40 o 369.817 7.5444  16710.42   676.985  16999.44   963.077  16428.12   951.824  371.687 10.679  365.360 10.737  6.327148       15.14307 
1 1 1 -8  -15 41 o 92.045  3.5853  1029.79    80.073   1072.40    114.966  989.648    111.589  93.706  5.0753  90.000  5.1312  3.706047       7.217197 
1 1 1 -8  -15 42 o 211.850 5.0669  5469.10    260.454  5460.41    373.060  5477.36    363.791  211.185 7.2803  211.563 7.0868  -0.3780518     10.16000 
1 1 1 -8  -15 43 o 120.109 4.1270  1756.27    120.275  1566.85    196.740  1869.31    151.983  112.822 7.2248  123.807 5.0593  -10.98491      8.820050 
1 1 1 -8  -15 44 o 64.730  3.8519  511.908    60.225   462.266    93.653   546.912    78.643   61.104  6.4122  66.776  4.8876  -5.672226      8.062614 
1 1 1 -8  -15 45 o 31.566  4.9488  124.569    36.658   62.653     51.041   190.530    52.681   23.172  7.7360  39.051  5.7304  -15.87840      9.627193 
1 1 1 -8  -15 46 o 42.120  4.0843  218.347    41.217   208.209    57.841   228.805    58.749   40.774  6.0282  42.827  5.8030  -2.053253      8.367368 
1 1 1 -8  -15 47 o 73.716  3.5816  662.180    64.064   621.902    91.258   701.316    89.955   71.056  5.3320  75.558  4.9337  -4.502075      7.264388 
1 1 1 -8  -15 48 o 99.923  4.8583  1222.04    117.793  1235.43    154.741  1203.59    181.642  99.949  6.4145  98.245  7.6809  1.704208       10.00710 
1 1 1 -8  -15 49 o 107.138 4.9175  1405.95    127.836  1268.07    167.442  1598.62    197.934  101.074 6.8682  113.404 7.2310  -12.32990      9.972959 
1 1 1 -8  -15 50 o 151.166 4.2362  2792.94    155.381  2666.62    222.637  2912.90    216.957  147.075 6.2387  153.878 5.8108  -6.803696      8.525632 
1 1 1 -8  -15 51 o 35.798  5.4407  160.921    45.771   113.459    59.735   228.411    71.232   29.670  8.0794  42.366  7.1862  -12.69539      10.81291 
1 1 1 -8  -15 52 o 94.939  3.9133  1101.41    90.149   1131.65    126.789  1070.49    128.202  95.756  5.4797  93.057  5.7054  2.698868       7.910686 
1 1 1 -8  -15 53 o 26.499  11.350  9.3243     130.194  9.3243     130.194  0.0000     0.0000   26.499  11.350  ?       ?       0.000000       11.34967 
1 1 1 -8  -15 54 o 25.108  10.878  -1.9756    122.283  -1.9756    122.283  0.0000     0.0000   25.108  10.878  ?       ?       0.000000       10.87814 
1 1 1 -8  -15 55 o 25.041  8.4008  75.718     60.193   197.133    147.167  51.326     65.962   38.836  13.135  22.966  8.6680  15.87001       15.73741 
1 1 1 -8  -15 56 o 11.284  5.3316  -42.9837   38.386   -63.0979   95.818   -39.1384   41.895   19.253  8.8687  12.217  5.7079  7.036728       10.54675 
1 1 1 -8  -15 57 o 45.602  5.8678  262.611    63.419   385.297    123.171  218.352    73.979   53.796  9.7970  40.931  7.7324  12.86560       12.48087 
1 1 1 -8  -15 58 o 73.607  5.1861  674.382    92.031   761.206    224.512  656.847    100.898  73.721  13.028  72.414  5.7909  1.307320       14.25672 
1 1 1 -8  -15 59 o 64.643  4.8550  519.442    75.594   625.685    139.564  475.332    89.928   69.393  8.4642  61.387  6.1190  8.006592       10.44442 
1 1 1 -8  -15 60 o 32.548  8.3999  140.911    66.785   100.014    124.205  157.544    79.210   30.695  11.819  34.247  9.2946  -3.552757      15.03580 
1 1 1 -8  -15 61 o 33.210  8.9257  147.337    73.469   0.0000     0.0000   147.337    73.469   ?       ?       33.210  8.9257  0.000000       8.925714 
1 1 1 -8  -15 62 o 38.733  10.428  205.154    100.184  220.241    178.877  198.258    120.930  40.309  14.428  37.993  11.841  2.315643       18.66479 
1 1 1 -8  -15 63 o 32.949  10.706  144.058    98.004   471.748    177.929  1.3458     117.421  57.351  13.077  24.369  10.609  32.98206       16.83867 
1 1 1 -8  -15 64 o 19.893  8.2021  21.158     64.035   60.803     125.710  7.2668     74.413   28.110  11.530  20.125  8.5990  7.984777       14.38311 
1 1 1 -8  -14 1  o 198.138 6.6230  4769.23    318.407  0.0000     0.0000   4769.23    318.407  ?       ?       198.138 6.6230  0.000000       6.622959 
1 1 1 -8  -14 2  o 535.722 14.964  35039.08   1945.20  0.0000     0.0000   35039.08   1945.20  ?       ?       535.722 14.964  0.000000       14.96443 
1 1 1 -8  -14 3  o 339.675 9.9556  14034.83   820.536  0.0000     0.0000   14034.83   820.536  ?       ?       339.675 9.9556  0.000000       9.955649 
1 1 1 -8  -14 4  o 447.529 8.9389  24347.63   970.666  25654.95   1374.42  23046.72   1371.04  458.966 12.342  434.920 12.992  24.04639       17.91956 
1 1 1 -8  -14 5  o 685.502 13.394  57260.33   2227.77  56905.15   3152.26  57614.74   3148.83  681.849 19.053  686.131 18.914  -4.282166      26.84696 
1 1 1 -8  -14 6  o 457.549 9.1378  25449.11   1014.48  26050.54   1436.11  24850.06   1433.27  462.483 12.798  451.662 13.078  10.82086       18.29806 
1 1 1 -8  -14 7  o 480.924 9.5610  28119.83   1115.69  28197.07   1579.16  28042.85   1576.50  481.072 13.529  479.752 13.543  1.319550       19.14246 
1 1 1 -8  -14 8  o 169.710 4.1982  3495.62    172.875  3463.67    245.314  3527.13    243.659  168.897 5.9860  170.440 5.8918  -1.542267      8.399125 
1 1 1 -8  -14 9  o 107.549 4.6439  1403.97    121.187  1734.38    177.573  1115.93    165.800  119.355 6.1525  95.581  7.2020  23.77477       9.472161 
1 1 1 -8  -14 10 f 512.488 14.342  32012.19   1783.49  32229.13   2531.22  31798.30   2513.35  513.024 20.334  509.586 20.327  3.438812       28.75175 
1 1 1 -8  -14 11 o 227.646 6.9993  6294.13    386.616  7423.29    555.760  5235.28    538.179  247.122 9.2686  207.186 10.742  39.93576       14.18810 
1 1 1 -8  -14 12 o 510.773 14.362  31798.71   1779.96  31207.08   2527.23  32381.07   2507.38  504.756 20.635  514.289 20.093  -9.533539      28.80153 
1 1 1 -8  -14 13 o 107.948 4.7314  1414.43    123.928  1599.31    183.436  1259.19    168.089  114.567 6.6270  101.593 6.8590  12.97413       9.537521 
1 1 1 -8  -14 14 o 162.309 4.0303  3197.26    158.723  3567.47    229.117  2855.64    220.093  171.420 5.5085  153.359 5.9147  18.06075       8.082495 
1 1 1 -8  -14 15 o 461.028 9.1547  25836.66   1024.09  26716.83   1453.66  24969.42   1442.95  468.381 12.791  452.758 13.135  15.62302       18.33379 
1 1 1 -8  -14 16 o 448.761 9.0138  24479.49   981.487  23844.62   1393.48  25104.53   1382.65  442.445 12.980  454.043 12.550  -11.59775      18.05521 
1 1 1 -8  -14 17 o 690.193 13.435  58048.00   2249.89  59610.60   3187.68  56496.83   3176.00  697.946 18.823  679.333 19.268  18.61267       26.93615 
1 1 1 -8  -14 18 o 424.703 8.5446  21923.39   880.520  22100.22   1251.27  21749.93   1239.30  426.016 12.105  422.629 12.085  3.387085       17.10500 
1 1 1 -8  -14 19 o 354.191 7.2736  15241.24   625.106  15229.80   890.235  15252.37   877.961  353.801 10.370  354.078 10.219  -0.2767334     14.55912 
1 1 1 -8  -14 20 o 539.036 10.588  35362.57   1384.87  36602.16   1965.02  34139.29   1952.05  547.580 14.790  528.742 15.215  18.83838       21.21887 
1 1 1 -8  -14 21 o 208.744 4.8768  5290.28    247.008  4939.24    355.680  5617.29    343.293  201.610 7.2708  215.035 6.5795  -13.42485      9.805826 
1 1 1 -8  -14 22 o 244.730 5.3891  7273.34    320.012  7508.46    459.318  7051.56    446.102  248.533 7.6167  240.851 7.6335  7.681625       10.78348 
1 1 1 -8  -14 23 o 317.053 6.6523  12216.18   511.760  12046.34   726.305  12383.63   721.196  314.563 9.5158  318.959 9.3187  -4.396088      13.31875 
1 1 1 -8  -14 24 o 420.816 8.5042  21553.06   868.346  21827.00   1230.88  21281.64   1225.19  422.814 11.998  417.477 12.095  5.337097       17.03637 
1 1 1 -8  -14 25 o 252.926 5.5929  7773.50    343.240  7771.06    487.811  7775.89    483.052  252.679 7.9564  252.766 7.8761  -0.8665466E-01 11.19543 
1 1 1 -8  -14 26 o 87.344  3.3215  926.156    70.394   916.070    100.885  935.727    98.271   86.702  4.8144  87.645  4.6375  -0.9421692     6.684683 
1 1 1 -8  -14 27 o 170.800 5.8687  3547.44    243.217  3310.96    334.966  3811.14    353.721  164.595 8.4154  176.835 8.2438  -12.23969      11.78048 
1 1 1 -8  -14 28 f 216.221 6.8684  5691.92    360.344  5434.01    499.232  5972.42    520.648  210.890 9.7563  221.099 9.7050  -10.20911      13.76121 
1 1 1 -8  -14 29 o 90.393  4.6559  995.624    101.770  947.585    135.964  1056.83    153.471  88.003  6.4115  92.910  6.8562  -4.906944      9.386920 
1 1 1 -8  -14 30 o 150.719 4.0380  2759.54    147.673  2749.62    210.598  2769.14    207.129  150.345 5.7730  150.886 5.6576  -0.5407104     8.083026 
1 1 1 -8  -14 31 o 48.358  3.6078  285.580    42.028   321.426    60.020   251.097    58.869   51.192  4.8917  45.109  5.4917  6.082310       7.354426 
1 1 1 -8  -14 32 o 142.116 3.9017  2453.23    134.544  2554.39    192.617  2356.86    188.016  144.932 5.4773  139.210 5.5662  5.721924       7.809182 
1 1 1 -8  -14 33 o 332.073 6.8723  13428.26   553.733  13673.96   786.894  13187.24   779.354  334.482 9.6957  328.454 9.7790  6.027649       13.77084 
1 1 1 -8  -14 34 o 341.343 7.0940  14192.89   587.553  14147.51   835.029  14237.39   826.881  340.088 10.119  341.203 9.9877  -1.114655      14.21804 
1 1 1 -8  -14 35 o 43.514  5.2046  233.497    53.860   125.693    117.483  262.184    60.604   33.768  11.726  46.101  5.5280  -12.33360      12.96383 
1 1 1 -8  -14 36 o 174.549 6.2607  3708.79    265.156  4090.46    400.849  3411.86    353.563  182.979 9.0285  166.923 8.7601  16.05630       12.57985 
1 1 1 -8  -14 37 o 279.525 8.7823  9545.94    595.655  9241.36    871.424  9813.04    816.065  273.856 13.114  282.585 11.902  -8.728363      17.70976 
1 1 1 -8  -14 38 f 97.120  5.4001  1151.13    126.751  1417.38    204.977  986.299    161.283  107.470 7.9163  89.610  7.4862  17.85945       10.89548 
1 1 1 -8  -14 39 o 372.242 7.7019  16919.48   695.645  17194.64   988.910  16649.94   978.749  374.054 10.896  368.054 10.960  6.000000       15.45418 
1 1 1 -8  -14 40 o 266.367 5.7714  8643.46    373.013  8526.02    532.322  8756.75    522.847  263.969 8.3111  267.586 8.0528  -3.617401      11.57246 
1 1 1 -8  -14 41 o 7.4391  3.6783  -55.9147   24.438   -39.9978   32.320   -77.1628   37.343   10.210  4.8441  9.5075  4.6712  0.7024250      6.729466 
1 1 1 -8  -14 42 o 185.053 4.6082  4169.81    206.916  4066.65    296.781  4267.39    288.635  182.377 6.7066  186.895 6.3648  -4.518539      9.246052 
1 1 1 -8  -14 43 o 67.700  3.8425  559.501    62.859   528.380    98.550   580.846    81.617   65.437  6.2841  68.851  4.9179  -3.413338      7.979652 
1 1 1 -8  -14 44 o 28.946  5.1207  105.282    34.649   166.213    47.756   37.552     50.350   36.470  5.5736  20.218  7.5849  16.25230       9.412521 
1 1 1 -8  -14 45 o 50.887  3.8494  317.218    47.179   251.240    66.678   383.365    66.763   44.839  6.3026  55.806  4.9829  -10.96679      8.034454 
1 1 1 -8  -14 46 o 58.103  3.7008  412.956    51.903   398.439    74.572   426.595    72.284   56.788  5.4801  58.843  5.1135  -2.055454      7.495261 
1 1 1 -8  -14 47 o 164.814 4.3361  3316.79    173.401  3475.78    250.130  3169.68    240.601  168.180 6.1295  160.589 6.1747  7.591293       8.700495 
1 1 1 -8  -14 48 o 23.039  6.7630  66.653     40.283   49.230     48.029   107.981    73.974   21.231  7.4892  29.467  9.2737  -8.236410      11.92017 
1 1 1 -8  -14 49 o 56.787  4.7454  397.368    64.787   322.835    81.935   521.708    105.827  50.690  6.8360  64.640  6.8518  -13.95010      9.678785 
1 1 1 -8  -14 50 o 112.589 3.8896  1547.47    106.259  1440.07    151.572  1651.26    149.008  108.054 5.8024  115.998 5.2941  -7.944092      7.854641 
1 1 1 -8  -14 51 o 104.438 3.8342  1331.76    97.163   1310.47    137.608  1352.94    137.211  103.106 5.5205  104.798 5.4145  -1.692734      7.732530 
1 1 1 -8  -14 52 o 20.934  6.4261  54.321     35.771   43.900     50.153   65.111     51.033   20.764  7.6104  23.345  7.7328  -2.581350      10.84959 
1 1 1 -8  -14 53 o 25.558  11.143  -9.5655    129.958  -9.5655    129.958  0.0000     0.0000   25.558  11.143  ?       ?       0.000000       11.14270 
1 1 1 -8  -14 54 o 37.720  13.450  174.898    155.306  174.898    155.306  0.0000     0.0000   37.720  13.450  ?       ?       0.000000       13.44985 
1 1 1 -8  -14 55 o 33.530  5.9207  143.243    46.407   106.646    57.761   209.886    77.944   28.646  8.0019  40.069  8.2904  -11.42285      11.52219 
1 1 1 -8  -14 56 o 35.999  5.0303  162.861    42.738   174.310    56.946   148.095    64.671   36.844  6.6128  33.564  8.0455  3.279961       10.41439 
1 1 1 -8  -14 57 o 24.986  6.3704  80.953     38.739   84.985     51.875   75.870     58.246   25.710  7.7066  24.853  8.2626  0.8566341      11.29876 
1 1 1 -8  -14 58 o 25.470  8.1375  81.996     56.788   -77.4825   156.312  106.246    60.953   24.825  11.395  28.491  8.3064  -3.665705      14.10148 
1 1 1 -8  -14 59 o 21.966  8.0999  50.971     56.936   -93.3562   110.630  102.970    66.405   19.716  9.2322  28.198  8.7722  -8.481781      12.73521 
1 1 1 -8  -14 60 o 35.841  9.2664  172.633    81.178   0.0000     0.0000   172.633    81.178   ?       ?       35.841  9.2664  0.000000       9.266413 
1 1 1 -8  -14 61 o 15.611  7.2709  -56.2204   67.142   0.0000     0.0000   -56.2204   67.142   ?       ?       15.611  7.2709  0.000000       7.270871 
1 1 1 -8  -14 62 o 30.966  13.041  57.032     166.991  57.032     166.991  0.0000     0.0000   30.966  13.041  ?       ?       0.000000       13.04080 
1 1 1 -8  -14 63 o 19.222  8.1278  9.6629     65.295   251.993    163.810  -36.1121   71.195   42.024  13.851  17.171  7.8087  24.85342       15.90051 
1 1 1 -8  -14 64 o 19.061  8.0453  10.835     63.792   20.649     126.828  7.5112     73.808   26.012  11.173  20.060  8.5674  5.951763       14.07975 
1 1 1 -8  -13 1  o 236.245 7.4436  6781.05    426.689  0.0000     0.0000   6781.05    426.689  ?       ?       236.245 7.4436  0.000000       7.443626 
1 1 1 -8  -13 2  f 142.390 5.4419  2461.58    188.014  0.0000     0.0000   2461.58    188.014  ?       ?       142.390 5.4419  0.000000       5.441857 
1 1 1 -8  -13 3  o 775.959 15.119  73447.83   2846.67  76633.02   4027.55  70268.16   4024.05  790.613 20.995  756.715 21.916  33.89832       30.34977 
1 1 1 -8  -13 4  o 195.777 4.5737  4652.30    217.265  4662.88    308.771  4641.93    305.769  195.951 6.4942  195.512 6.4455  0.4392548      9.149781 
1 1 1 -8  -13 5  o 859.692 16.714  90228.40   3486.40  90118.47   4932.03  90338.20   4928.99  856.452 23.733  857.515 23.689  -1.063477      33.53286 
1 1 1 -8  -13 6  o 334.201 6.9326  13564.74   562.171  13309.84   796.295  13818.02   793.769  330.863 9.9189  337.136 9.7034  -6.272949      13.87591 
1 1 1 -8  -13 7  f 518.464 10.291  32686.80   1294.57  31627.56   1835.64  33734.93   1826.00  509.359 14.852  526.147 14.303  -16.78726      20.61975 
1 1 1 -8  -13 8  o 699.455 13.638  59592.79   2314.56  59800.46   3278.27  59386.36   3268.32  699.266 19.321  696.839 19.330  2.427795       27.33052 
1 1 1 -8  -13 9  o 241.079 5.2799  7055.23    308.851  7074.36    441.388  7036.87    432.316  241.331 7.5378  240.695 7.4023  0.6352234      10.56471 
1 1 1 -8  -13 10 o 285.499 8.6747  9904.71    600.929  8723.98    859.017  11036.30   840.954  267.657 13.227  301.183 11.507  -33.52557      17.53201 
1 1 1 -8  -13 11 o 286.732 8.6304  9990.29    600.446  9546.05    859.043  10414.67   839.607  280.029 12.643  292.555 11.828  -12.52515      17.31303 
1 1 1 -8  -13 12 o 242.587 7.5430  7148.23    443.992  7023.65    638.018  7265.22    618.248  240.302 10.942  244.429 10.424  -4.126450      15.11295 
1 1 1 -8  -13 13 o 704.231 19.597  60666.08   3348.59  59311.83   4747.22  62007.17   4724.10  693.275 28.221  709.174 27.454  -15.89856      39.37165 
1 1 1 -8  -13 14 o 506.987 10.054  31252.39   1236.76  31187.20   1754.27  31316.81   1743.86  505.892 14.291  506.960 14.177  -1.068146      20.13011 
1 1 1 -8  -13 15 o 333.756 6.9353  13528.57   561.642  13189.43   799.561  13858.90   789.107  329.357 10.005  337.639 9.6320  -8.282562      13.88805 
1 1 1 -8  -13 16 o 853.552 16.637  88938.53   3445.55  88251.20   4878.55  89622.60   4866.98  847.543 23.723  854.211 23.482  -6.667908      33.37903 
1 1 1 -8  -13 17 o 198.292 4.5350  4772.54    218.194  5870.32    313.997  3747.46    303.422  219.882 5.8853  175.650 7.1193  44.23260       9.236940 
1 1 1 -8  -13 18 o 768.445 14.962  72023.75   2789.72  72789.69   3951.46  71262.59   3939.09  770.483 21.136  762.297 21.297  8.186157       30.00480 
1 1 1 -8  -13 19 o 144.682 3.9565  2540.59    138.896  2251.37    201.996  2799.98    191.297  136.161 6.1140  151.867 5.1913  -15.70602      8.020665 
1 1 1 -8  -13 20 o 246.989 5.4492  7406.80    326.571  6987.18    463.869  7819.16    459.839  239.783 7.9728  253.684 7.4705  -13.90025      10.92585 
1 1 1 -8  -13 21 o 245.666 5.4402  7328.08    324.284  7027.71    460.596  7623.33    456.645  240.466 7.8941  250.470 7.5138  -10.00388      10.89832 
1 1 1 -8  -13 22 o 113.958 3.5644  1576.15    98.558   1539.18    140.076  1612.39    138.697  112.590 5.1274  115.240 4.9602  -2.649521      7.134040 
1 1 1 -8  -13 23 o 144.975 3.9366  2551.28    138.478  2847.56    197.311  2263.69    194.396  153.127 5.3105  136.514 5.8688  16.61328       7.914776 
1 1 1 -8  -13 24 o 96.039  3.3629  1119.53    78.365   1149.85    111.687  1090.12    109.981  97.309  4.7303  94.625  4.8060  2.684021       6.743343 
1 1 1 -8  -13 25 o 355.466 7.4553  15370.67   643.021  15514.35   912.134  15228.72   906.631  356.648 10.540  353.344 10.575  3.304443       14.93062 
1 1 1 -8  -13 26 o 278.186 5.8966  9407.04    398.016  9535.99    565.505  9280.46    560.290  279.815 8.3292  276.035 8.3653  3.779266       11.80484 
1 1 1 -8  -13 27 o 216.146 7.0072  5686.01    367.500  6179.80    509.377  5149.96    530.728  225.061 9.3277  204.999 10.707  20.06197       14.20015 
1 1 1 -8  -13 28 o 296.416 8.9551  10721.47   644.073  11470.80   899.629  9933.52    922.516  305.865 12.122  284.308 13.373  21.55737       18.04910 
1 1 1 -8  -13 29 o 132.482 5.2400  2133.89    168.443  2192.30    228.687  2064.62    249.043  133.982 7.0594  129.895 7.9397  4.087097       10.62422 
1 1 1 -8  -13 30 o 305.984 7.3974  11408.02   549.218  11623.45   941.160  11296.78   676.315  307.597 12.610  304.138 9.1646  3.459412       15.58858 
1 1 1 -8  -13 31 f 205.173 4.8942  5116.63    243.652  5138.62    347.313  5095.31    341.902  205.417 6.9682  204.559 6.8884  0.8587646      9.798255 
1 1 1 -8  -13 32 o 119.113 3.6917  1723.10    106.698  1844.17    152.737  1607.71    149.115  123.167 5.1108  114.989 5.3444  8.177689       7.394775 
1 1 1 -8  -13 33 o 186.549 4.5851  4228.92    207.542  4203.09    296.411  4253.77    290.688  185.818 6.5742  186.951 6.4082  -1.132614      9.180694 
1 1 1 -8  -13 34 o 221.027 5.1061  5939.10    273.838  5975.33    390.571  5904.06    384.043  221.466 7.2682  220.151 7.1894  1.314911       10.22327 
1 1 1 -8  -13 35 o 280.075 6.1018  9545.48    414.665  9569.25    590.167  9522.31    582.752  279.989 8.6870  279.318 8.5985  0.6701965      12.22283 
1 1 1 -8  -13 36 o 53.364  6.1575  351.162    78.265   379.012    131.196  335.776    97.518   54.783  10.247  51.872  8.0057  2.911243       13.00318 
1 1 1 -8  -13 37 o 193.999 6.7863  4584.90    319.446  4670.61    480.599  4517.07    427.566  195.040 10.191  192.231 9.1668  2.808884       13.70697 
1 1 1 -8  -13 38 o 104.975 5.6887  1345.04    144.355  868.599    230.072  1654.38    185.387  83.277  11.710  116.344 6.5942  -33.06700      13.43872 
1 1 1 -8  -13 39 o 247.484 5.5757  7455.79    334.819  7488.70    477.893  7424.05    469.236  247.600 7.9546  246.552 7.8437  1.047913       11.17132 
1 1 1 -8  -13 40 o 174.272 4.3640  3693.31    184.535  3690.18    264.164  3696.28    257.892  173.982 6.2576  174.146 6.1032  -0.1641998     8.741086 
1 1 1 -8  -13 41 o 215.627 4.9825  5661.34    260.685  5528.83    373.021  5787.83    364.457  212.662 7.2290  217.660 6.9009  -4.997803      9.994052 
1 1 1 -8  -13 42 o 243.673 5.4982  7241.48    325.081  7416.01    464.615  7074.10    455.002  245.946 7.7855  240.203 7.8068  5.743378       11.02545 
1 1 1 -8  -13 43 o 50.966  3.8777  317.923    47.593   301.106    66.724   335.341    67.905   49.337  5.6773  52.137  5.4482  -2.800610      7.868607 
1 1 1 -8  -13 44 f 14.976  5.8785  15.927     31.189   48.361     42.399   -22.3168   46.040   20.673  7.0500  14.204  6.3865  6.469563       9.512614 
1 1 1 -8  -13 45 f 67.764  3.6705  560.795    60.126   597.568    86.592   526.558    83.553   69.741  5.1536  65.416  5.3098  4.324738       7.399566 
1 1 1 -8  -13 46 o 107.124 3.8271  1398.57    99.476   1400.94    141.430  1396.26    139.941  106.825 5.4748  106.658 5.4253  0.1676788      7.707596 
1 1 1 -8  -13 47 o 107.766 3.8359  1416.08    100.303  1357.05    142.667  1473.77    141.046  105.049 5.6175  109.688 5.2995  -4.639580      7.722791 
1 1 1 -8  -13 48 o 68.020  4.7379  568.664    77.708   529.347    99.584   629.875    124.256  65.269  6.3693  70.999  7.3177  -5.729820      9.701355 
1 1 1 -8  -13 49 o 79.152  4.7783  769.583    91.340   783.761    116.474  746.936    147.203  79.581  6.0779  77.129  7.9811  2.451576       10.03193 
1 1 1 -8  -13 50 o 14.325  5.8558  9.2442     32.291   2.6045     39.821   21.993     55.180   15.015  6.3482  19.184  7.7229  -4.168674      9.997082 
1 1 1 -8  -13 51 o 17.698  6.3304  33.113     34.430   -19.6730   47.146   93.442     50.401   14.531  6.5032  27.006  7.4495  -12.47574      9.888680 
1 1 1 -8  -13 52 o 128.439 5.8855  2034.16    183.419  2034.16    183.419  0.0000     0.0000   128.439 5.8855  ?       ?       0.000000       5.885494 
1 1 1 -8  -13 53 o 65.905  12.919  587.906    199.213  587.906    199.213  0.0000     0.0000   65.905  12.919  ?       ?       0.000000       12.91939 
1 1 1 -8  -13 54 o 88.705  5.9866  978.414    128.100  1060.90    241.119  945.978    151.204  89.715  11.329  86.726  7.2519  2.988640       13.45126 
1 1 1 -8  -13 55 o 19.398  6.6818  43.103     38.109   59.599     52.149   24.198     55.828   22.652  7.8155  19.341  7.7744  3.310595       11.02377 
1 1 1 -8  -13 56 o 100.421 3.9314  1236.44    95.792   1269.82    137.675  1205.13    133.369  101.060 5.6370  98.458  5.6059  2.602249       7.949908 
1 1 1 -8  -13 57 o 32.446  7.6186  138.220    58.954   46.803     150.923  154.681    64.042   29.575  12.423  34.289  7.8648  -4.713604      14.70347 
1 1 1 -8  -13 58 o 44.530  4.5917  246.994    48.901   210.332    66.758   289.443    71.834   40.328  7.0806  47.715  6.3631  -7.387039      9.519659 
1 1 1 -8  -13 59 o 65.149  4.7523  526.807    74.604   459.219    88.294   695.492    139.488  60.351  6.1139  73.527  7.9448  -13.17588      10.02498 
1 1 1 -8  -13 60 o 26.897  9.5742  84.883     78.664   0.0000     0.0000   84.883     78.664   ?       ?       26.897  9.5742  0.000000       9.574197 
1 1 1 -8  -13 61 o 20.039  8.2366  21.165     64.324   -168.2815  123.043  92.412     75.456   18.787  9.0550  27.448  9.4048  -8.661192      13.05537 
1 1 1 -8  -13 62 o 31.209  10.688  123.599    97.446   81.666     173.632  142.879    117.737  32.531  13.468  33.486  11.732  -0.9547234     17.86141 
1 1 1 -8  -13 63 o 27.695  8.9151  98.687     68.063   84.707     131.540  103.799    79.539   30.034  11.982  28.633  9.6566  1.400946       15.38878 
1 1 1 -8  -12 1  o 378.720 15.446  17499.47   1419.37  0.0000     0.0000   17499.47   1419.37  ?       ?       378.720 15.446  0.000000       15.44595 
1 1 1 -8  -12 2  o 462.662 9.1663  26019.11   1029.02  27375.63   1457.34  24670.33   1453.17  474.157 12.667  450.034 13.308  24.12280       18.37259 
1 1 1 -8  -12 3  o 662.152 12.970  53389.85   2083.90  53233.09   2949.08  53546.20   2945.08  659.941 18.417  661.900 18.338  -1.959167      25.98940 
1 1 1 -8  -12 4  o 403.273 8.1415  19758.47   796.653  19623.32   1128.25  19892.84   1125.03  401.599 11.578  404.359 11.467  -2.759796      16.29547 
1 1 1 -8  -12 5  o 436.302 10.104  23144.48   1069.63  23206.28   1312.49  23022.28   1845.74  436.647 12.388  434.210 17.519  2.437439       21.45634 
1 1 1 -8  -12 6  o 282.380 5.9537  9681.06    407.929  9976.72    581.704  9394.97    572.209  286.556 8.3662  278.070 8.4808  8.485657       11.91292 
1 1 1 -8  -12 7  o 203.271 4.6234  5015.07    228.034  5378.55    327.003  4670.99    318.156  210.465 6.4034  196.126 6.6856  14.33913       9.257430 
1 1 1 -8  -12 8  f 390.669 7.8854  18540.00   747.474  18728.03   1061.89  18355.33   1052.35  392.394 11.153  388.469 11.165  3.925049       15.78092 
1 1 1 -8  -12 9  o 621.498 12.206  47005.01   1840.68  45576.05   2608.17  48422.93   2598.08  610.973 17.593  629.898 16.999  -18.92560      24.46399 
1 1 1 -8  -12 10 o 58.247  3.0370  412.801    42.774   399.733    63.338   423.758    57.996   57.204  4.6022  58.950  4.0798  -1.746166      6.150191 
1 1 1 -8  -12 11 o 620.176 17.299  46949.43   2603.18  46059.50   3692.84  47828.48   3670.18  612.278 24.857  624.118 24.236  -11.84033      34.71657 
1 1 1 -8  -12 12 o 387.953 11.231  18307.13   1057.23  17462.46   1507.40  19124.90   1483.20  378.339 16.420  396.066 15.434  -17.72751      22.53496 
1 1 1 -8  -12 13 f 191.397 6.3620  4448.02    295.457  4598.87    429.300  4312.27    407.250  194.530 9.0952  188.377 8.9098  6.152527       12.73212 
1 1 1 -8  -12 14 o 283.675 8.5213  9777.65    586.529  9883.11    842.309  9678.39    817.214  284.975 12.182  282.025 11.942  2.949951       17.05886 
1 1 1 -8  -12 15 o 429.565 8.6714  22422.46   903.817  22035.57   1283.72  22802.74   1272.73  425.487 12.434  432.866 12.118  -7.378815      17.36231 
1 1 1 -8  -12 16 o 408.856 8.2327  20309.92   816.727  20755.35   1160.92  19873.42   1149.22  413.020 11.584  404.137 11.720  8.883820       16.47855 
1 1 1 -8  -12 17 o 665.286 12.963  53895.96   2092.51  53576.62   2961.59  54214.30   2956.94  662.065 18.436  666.030 18.297  -3.965454      25.97427 
1 1 1 -8  -12 18 o 427.573 8.5435  22216.53   886.362  21535.90   1255.72  22892.39   1251.30  420.598 12.304  433.691 11.891  -13.09314      17.11126 
1 1 1 -8  -12 19 o 378.525 7.7036  17407.38   707.538  17267.09   1002.65  17546.53   998.582  376.724 10.969  379.773 10.837  -3.048981      15.41913 
1 1 1 -8  -12 20 o 276.493 6.0722  9283.37    407.377  9257.09    577.888  9309.32    574.365  275.972 8.6301  276.754 8.5532  -0.7820435     12.15055 
1 1 1 -8  -12 21 o 171.047 4.1845  3551.14    173.667  3683.65    247.320  3422.25    243.920  174.169 5.8523  167.872 5.9883  6.296906       8.373103 
1 1 1 -8  -12 22 o 187.250 4.4142  4256.27    200.559  4508.10    285.339  4010.38    281.957  192.660 6.1039  181.704 6.3952  10.95607       8.840605 
1 1 1 -8  -12 23 o 334.505 6.8900  13596.51   559.228  13519.38   793.284  13672.71   788.474  333.285 9.8095  335.182 9.6949  -1.897064      13.79196 
1 1 1 -8  -12 24 o 375.783 7.5902  17170.29   692.079  17058.28   981.352  17281.12   976.164  374.125 10.810  376.581 10.683  -2.455658      15.19854 
1 1 1 -8  -12 25 o 195.131 4.5593  4623.82    215.870  4581.42    307.367  4665.09    303.246  194.138 6.5250  195.911 6.3793  -1.773041      9.125316 
1 1 1 -8  -12 26 o 166.834 4.2080  3380.00    170.343  3440.54    242.829  3321.34    239.018  168.241 5.9485  165.300 5.9593  2.940720       8.420053 
1 1 1 -8  -12 27 o 279.393 8.3835  9511.98    568.336  9221.29    792.101  9820.43    815.926  274.482 11.893  283.264 11.871  -8.781433      16.80407 
1 1 1 -8  -12 28 o 172.566 6.0262  3622.05    252.324  3726.89    345.871  3502.77    368.923  174.860 8.1519  169.196 9.0188  5.663635       12.15704 
1 1 1 -8  -12 29 o 42.369  5.3615  221.732    53.886   133.283    69.294   357.049    85.708   32.486  8.6406  53.743  6.7195  -21.25677      10.94580 
1 1 1 -8  -12 30 o 220.461 6.9772  5918.99    373.229  5534.20    516.192  6340.54    540.282  212.751 9.9995  227.762 9.7763  -15.01118      13.98449 
1 1 1 -8  -12 31 o 316.115 6.6613  12164.66   510.941  12662.84   726.017  11675.81   719.190  322.007 9.2922  309.136 9.5880  12.87018       13.35197 
1 1 1 -8  -12 32 o 163.344 4.1839  3241.31    165.825  3190.72    237.026  3289.81    232.076  161.948 6.0319  164.459 5.8158  -2.511642      8.378995 
1 1 1 -8  -12 33 o 268.408 5.8263  8763.02    379.445  8645.37    539.690  8878.03    533.594  266.235 8.3544  269.828 8.1500  -3.593353      11.67128 
1 1 1 -8  -12 34 o 186.670 4.6087  4234.53    208.748  4177.73    298.088  4289.20    292.422  185.250 6.6317  187.725 6.4198  -2.475357      9.230003 
1 1 1 -8  -12 35 o 131.009 3.8679  2084.79    122.954  1930.27    176.043  2231.95    171.802  125.969 5.7596  135.487 5.2260  -9.518227      7.777125 
1 1 1 -8  -12 36 o 52.593  6.1585  341.212    77.102   486.250    138.046  275.455    92.951   62.396  9.4107  46.795  8.4995  15.60097       12.68082 
1 1 1 -8  -12 37 o 32.217  8.3037  131.475    65.321   180.151    112.011  106.390    80.410   38.062  11.305  29.956  9.6950  8.106352       14.89292 
1 1 1 -8  -12 38 o 251.932 8.2138  7750.75    502.102  7320.40    741.194  8115.73    682.581  243.459 12.590  257.147 10.940  -13.68832      16.67905 
1 1 1 -8  -12 39 o 261.480 5.8030  8325.26    368.177  8464.39    525.050  8190.67    516.418  263.173 8.2223  258.883 8.2212  4.289917       11.62733 
1 1 1 -8  -12 40 o 283.859 6.1866  9822.27    426.105  10058.46   607.485  9593.52    597.838  286.574 8.7365  279.852 8.8042  6.722260       12.40324 
1 1 1 -8  -12 41 o 125.660 3.8418  1919.89    117.136  2036.84    168.442  1810.37    163.003  129.296 5.3691  121.882 5.5118  7.413795       7.694628 
1 1 1 -8  -12 42 o 92.946  3.6103  1050.48    81.421   1052.94    116.939  1048.18    113.434  92.794  5.2148  92.604  5.0676  0.1902161      7.271469 
1 1 1 -8  -12 43 o 98.889  3.6664  1189.72    87.974   1185.38    125.987  1193.86    122.899  98.419  5.2952  98.796  5.1446  -0.3763428     7.382809 
1 1 1 -8  -12 44 o 92.471  3.7029  1040.86    83.083   1062.78    116.606  1018.25    118.409  93.151  5.1795  91.138  5.3784  2.012474       7.466880 
1 1 1 -8  -12 45 o 53.833  3.9776  355.043    51.588   335.547    69.604   378.806    76.844   52.072  5.5968  55.323  5.8114  -3.250732      8.068271 
1 1 1 -8  -12 46 o 38.711  4.8876  186.006    44.886   182.597    59.699   190.439    68.080   37.985  6.7232  38.643  7.5315  -0.6575851     10.09577 
1 1 1 -8  -12 47 o 45.293  4.3161  252.714    46.860   274.980    61.999   223.047    71.565   47.046  5.5372  41.919  7.3014  5.127312       9.163576 
1 1 1 -8  -12 48 o 21.382  6.7570  55.680     39.238   58.920     46.123   47.192     74.651   22.289  7.3499  23.670  9.1491  -1.381002      11.73569 
1 1 1 -8  -12 49 f 42.846  5.3314  228.526    54.227   249.573    66.017   184.870    95.079   44.599  6.2740  37.643  10.169  6.956657       11.94905 
1 1 1 -8  -12 50 o 30.065  6.0698  115.181    42.753   155.766    56.128   59.090     65.985   34.918  6.8695  23.902  8.7341  11.01516       11.11190 
1 1 1 -8  -12 51 f 70.979  5.5198  622.946    94.317   622.946    94.317   0.0000     0.0000   70.979  5.5198  ?       ?       0.000000       5.519850 
1 1 1 -8  -12 52 o 118.012 5.8295  1716.98    166.926  1716.98    166.926  0.0000     0.0000   118.012 5.8295  ?       ?       0.000000       5.829506 
1 1 1 -8  -12 53 o 61.185  6.2814  468.129    91.930   612.937    187.036  422.002    105.561  67.866  11.786  57.609  7.7482  10.25673       14.10454 
1 1 1 -8  -12 54 o 86.324  6.1695  928.410    128.373  743.604    238.775  1003.54    152.248  73.398  13.917  89.404  7.0761  -16.00608      15.61225 
1 1 1 -8  -12 55 o 75.216  3.8489  694.595    70.009   702.367    99.252   686.900    98.766   75.184  5.4783  74.336  5.5151  0.8483124      7.773510 
1 1 1 -8  -12 56 o 61.226  4.1012  462.077    60.575   424.151    84.376   502.415    87.018   58.097  6.0754  63.397  5.7184  -5.299934      8.343335 
1 1 1 -8  -12 57 o 27.780  7.7994  100.762    54.730   164.308    154.932  91.702     58.501   36.447  13.373  26.727  8.2204  9.720604       15.69784 
1 1 1 -8  -12 58 o 44.154  4.4286  242.414    46.806   283.961    63.064   191.458    69.841   47.507  5.5770  38.211  7.7969  9.296524       9.586145 
1 1 1 -8  -12 59 o 65.471  6.6624  543.066    104.365  0.0000     0.0000   543.066    104.365  ?       ?       65.471  6.6624  0.000000       6.662445 
1 1 1 -8  -12 60 o 41.834  4.9701  219.234    49.463   204.263    61.449   246.785    83.359   39.895  6.5771  43.357  8.2246  -3.461494      10.53108 
1 1 1 -8  -12 61 o 37.158  5.9333  176.011    51.695   149.660    58.624   268.141    109.616  33.812  7.3550  44.395  10.364  -10.58267      12.70895 
1 1 1 -8  -12 62 o 24.544  6.6984  78.254     41.005   89.845     43.937   0.0093     114.160  26.233  6.8343  24.061  10.468  2.171963       12.50105 
1 1 1 -8  -12 63 o 52.250  6.5471  348.555    81.182   331.610    157.062  354.732    94.832   47.834  13.132  52.233  7.7146  -4.399025      15.23069 
1 1 1 -8  -11 1  o 285.031 8.5324  9872.17    590.106  10857.65   845.154  8934.70    824.309  298.713 11.661  270.910 12.540  27.80298       17.12371 
1 1 1 -8  -11 2  o 381.497 10.962  17702.17   1014.76  18367.33   1444.18  17053.51   1426.17  388.125 15.335  373.939 15.718  14.18604       21.95976 
1 1 1 -8  -11 3  o 262.301 6.5743  8354.60    418.420  8321.27    514.855  8419.42    718.082  261.716 8.1076  263.089 11.249  -1.372620      13.86611 
1 1 1 -8  -11 4  o 372.917 7.6070  16891.69   688.322  16722.39   978.641  17057.43   968.310  370.813 10.877  374.528 10.655  -3.714661      15.22636 
1 1 1 -8  -11 5  o 396.540 7.9590  19101.45   765.788  19889.42   1088.10  18328.11   1077.95  404.392 11.089  388.164 11.445  16.22818       15.93617 
1 1 1 -8  -11 6  o 175.001 4.8903  3717.26    207.655  3379.90    368.832  3873.83    251.260  166.518 9.1638  178.631 5.7970  -12.11214      10.84349 
1 1 1 -8  -11 7  o 215.033 4.8268  5612.37    251.844  5916.48    360.699  5323.09    351.789  220.733 6.7346  209.366 6.9249  11.36705       9.659681 
1 1 1 -8  -11 8  o 491.622 9.7203  29377.81   1159.51  29859.06   1644.80  28902.39   1634.83  495.172 13.690  487.156 13.831  8.016022       19.45997 
1 1 1 -8  -11 9  o 513.921 10.100  32108.05   1259.42  33776.07   1786.17  30458.85   1776.06  526.610 13.979  499.987 14.640  26.62225       20.24177 
1 1 1 -8  -11 10 o 513.308 10.091  32031.34   1256.82  33729.86   1782.50  30352.09   1772.36  526.253 13.960  499.112 14.635  27.14102       20.22497 
1 1 1 -8  -11 11 o 482.266 13.555  28320.69   1586.16  28635.62   2255.99  28012.82   2230.55  484.046 19.208  478.754 19.202  5.291473       27.15980 
1 1 1 -8  -11 12 f 209.130 6.8443  5310.98    347.304  5006.31    503.247  5588.05    479.907  202.665 10.267  214.433 9.2236  -11.76848      13.80193 
1 1 1 -8  -11 13 o 166.792 5.9548  3377.51    240.994  3063.12    352.295  3654.02    330.391  158.496 9.2002  173.440 7.8508  -14.94412      12.09461 
1 1 1 -8  -11 14 o 408.202 11.539  20270.12   1142.89  21428.42   1630.53  19151.44   1602.41  419.178 16.031  396.199 16.668  22.97946       23.12655 
1 1 1 -8  -11 15 o 389.051 7.9786  18387.08   753.176  17947.86   1067.13  18823.04   1063.18  384.111 11.450  393.393 11.138  -9.282013      15.97367 
1 1 1 -8  -11 16 o 262.872 5.7203  8389.14    364.862  8096.24    517.578  8678.48    514.422  258.147 8.2631  267.283 7.9320  -9.136017      11.45411 
1 1 1 -8  -11 17 o 347.553 7.0459  14670.13   594.186  14270.21   842.142  15066.58   838.482  342.590 10.131  352.043 9.8160  -9.453033      14.10631 
1 1 1 -8  -11 18 o 274.728 5.8914  9163.70    392.721  9382.21    557.153  8947.93    553.648  277.882 8.2632  271.368 8.4084  6.514648       11.78903 
1 1 1 -8  -11 19 o 755.660 14.739  69620.17   2702.48  69723.21   3824.20  69517.38   3819.58  754.343 20.893  753.227 20.899  1.116333       29.55166 
1 1 1 -8  -11 20 o 610.134 12.011  45319.80   1778.10  44592.76   2516.97  46044.13   2512.26  604.131 17.171  613.960 16.864  -9.829163      24.06700 
1 1 1 -8  -11 21 o 186.496 4.4514  4221.79    201.434  4246.73    286.591  4197.44    283.180  186.998 6.3163  185.911 6.2776  1.087204       8.905260 
1 1 1 -8  -11 22 o 365.965 7.4736  16274.24   663.646  16556.01   940.802  15995.17   936.287  368.835 10.512  362.519 10.644  6.315308       14.96029 
1 1 1 -8  -11 23 o 446.208 8.9500  24216.66   969.006  23662.55   1372.76  24766.94   1368.02  440.482 12.844  450.704 12.509  -10.22244      17.92914 
1 1 1 -8  -11 24 o 351.394 7.2534  15009.61   618.443  14956.99   877.006  15061.66   872.234  350.428 10.314  351.664 10.222  -1.236298      14.52158 
1 1 1 -8  -11 25 o 167.953 4.2892  3425.02    174.794  3435.61    248.693  3414.67    245.725  168.143 6.0956  167.632 6.0413  0.5107880      8.582177 
1 1 1 -8  -11 26 o 97.856  3.3830  1162.44    80.325   1042.41    114.607  1278.33    112.612  92.489  5.1270  102.594 4.5238  -10.10525      6.837429 
1 1 1 -8  -11 27 o 256.934 7.9159  8039.65    493.496  8112.03    685.745  7961.89    710.744  257.636 10.970  255.152 11.480  2.484024       15.87854 
1 1 1 -8  -11 28 o 266.641 8.1272  8665.11    525.812  8563.36    731.026  8774.17    756.870  264.490 11.391  267.671 11.654  -3.180237      16.29594 
1 1 1 -8  -11 29 o 371.376 10.808  16879.67   973.914  17070.27   1363.92  16681.38   1391.13  371.921 15.114  367.456 15.603  4.465057       21.72258 
1 1 1 -8  -11 30 o 180.716 6.3436  3974.40    278.162  4548.74    381.424  3321.94    406.536  193.140 8.1390  164.500 10.236  28.63971       13.07736 
1 1 1 -8  -11 31 o 146.109 3.9173  2592.92    138.876  2830.74    199.043  2367.32    193.861  152.584 5.3762  139.516 5.7267  13.06799       7.854826 
1 1 1 -8  -11 32 o 350.813 7.4267  14992.93   632.173  15564.81   897.433  14429.65   890.661  356.741 10.368  343.400 10.689  13.34180       14.89131 
1 1 1 -8  -11 33 o 156.787 4.1620  2986.22    158.336  3076.85    225.935  2898.75    221.961  159.046 5.8546  154.369 5.9259  4.676819       8.330183 
1 1 1 -8  -11 34 o 149.376 4.1425  2710.66    150.145  2676.42    214.759  2743.40    209.994  148.324 5.9673  150.183 5.7627  -1.858414      8.295571 
1 1 1 -8  -11 35 o 58.591  4.6985  419.881    66.234   455.839    136.946  408.902    75.673   60.332  9.6822  57.730  5.4674  2.602627       11.11928 
1 1 1 -8  -11 36 o 184.051 6.5817  4124.58    293.929  4214.46    444.067  4054.49    392.121  185.365 9.9091  182.213 8.8690  3.152130       13.29848 
1 1 1 -8  -11 37 o 121.847 5.5924  1806.24    165.339  1878.80    262.166  1758.33    213.051  123.712 8.7910  119.876 7.3603  3.836632       11.46537 
1 1 1 -8  -11 38 o 244.910 6.5502  7307.33    389.245  7321.70    482.303  7280.47    659.205  244.877 8.1172  243.497 11.157  1.380676       13.79774 
1 1 1 -8  -11 39 o 240.004 5.4511  7011.04    317.446  7225.41    453.266  6804.67    444.728  243.258 7.6793  236.052 7.7647  7.205688       10.92073 
1 1 1 -8  -11 40 o 117.128 3.8137  1667.46    108.386  1606.63    156.027  1724.19    150.675  114.849 5.5990  119.008 5.2180  -4.158783      7.653453 
1 1 1 -8  -11 41 o 114.201 3.8241  1585.74    105.965  1470.97    150.270  1699.25    149.447  109.702 5.6647  118.106 5.2150  -8.403793      7.699680 
1 1 1 -8  -11 42 o 178.846 5.1129  3898.80    221.875  3687.91    366.891  4020.40    278.590  172.944 8.7719  181.387 6.3299  -8.443848      10.81725 
1 1 1 -8  -11 43 o 149.433 4.2223  2719.36    153.094  2710.12    218.520  2728.26    214.549  148.884 6.0490  149.406 5.9183  -0.5222168     8.462622 
1 1 1 -8  -11 44 o 65.921  3.8224  530.864    60.877   560.695    83.993   497.853    88.357   67.567  5.1623  63.539  5.7948  4.027512       7.760804 
1 1 1 -8  -11 45 o 115.268 3.8969  1618.88    108.990  1608.24    154.452  1629.42    153.820  114.636 5.5527  115.399 5.4935  -0.7628021     7.810954 
1 1 1 -8  -11 46 o 61.664  3.9685  465.518    59.063   428.234    79.757   510.793    87.890   58.851  5.6550  64.313  5.6909  -5.461830      8.022800 
1 1 1 -8  -11 47 o 34.445  5.6411  149.204    45.515   127.236    54.770   198.234    81.825   31.480  7.3105  39.155  8.8239  -7.674791      11.45887 
1 1 1 -8  -11 48 o 72.761  4.7452  650.344    83.318   543.376    106.317  820.594    134.129  66.047  6.7281  81.260  6.8670  -15.21285      9.613731 
1 1 1 -8  -11 49 o 59.781  4.9127  440.501    70.631   505.853    87.886   321.306    118.690  63.920  5.7273  49.643  10.195  14.27719       11.69349 
1 1 1 -8  -11 50 o 103.967 3.8743  1319.47    97.736   1302.41    140.204  1335.59    136.317  102.792 5.6429  104.162 5.4122  -1.369972      7.818827 
1 1 1 -8  -11 51 o 43.427  6.8182  238.747    69.478   238.747    69.478   0.0000     0.0000   43.427  6.8182  ?       ?       0.000000       6.818237 
1 1 1 -8  -11 52 o 90.656  3.8081  1004.05    83.767   1042.13    119.668  967.459    117.296  91.888  5.3909  88.495  5.4897  3.392494       7.694046 
1 1 1 -8  -11 53 o 53.341  6.6227  358.259    83.872   530.191    175.057  307.035    95.552   62.933  11.900  48.788  8.3732  14.14502       14.55058 
1 1 1 -8  -11 54 o 33.469  8.5587  147.019    69.778   132.954    152.348  150.753    78.496   34.853  13.169  33.843  9.2809  1.010082       16.11041 
1 1 1 -8  -11 55 o 41.809  4.8815  218.100    48.588   288.552    67.355   141.662    70.158   47.892  5.9224  32.795  8.6809  15.09778       10.50867 
1 1 1 -8  -11 56 o 33.899  5.3069  145.362    42.219   150.057    57.866   140.018    61.735   33.951  7.2452  32.645  7.8829  1.305649       10.70668 
1 1 1 -8  -11 57 o 25.879  6.3077  86.896     39.248   71.269     53.225   105.519    58.106   24.038  7.8939  28.405  8.0581  -4.366337      11.28039 
1 1 1 -8  -11 58 o 60.287  5.9404  456.936    85.768   0.0000     0.0000   456.936    85.768   ?       ?       60.287  5.9404  0.000000       5.940422 
1 1 1 -8  -11 59 o 48.447  8.0125  305.535    90.896   0.0000     0.0000   305.535    90.896   ?       ?       48.447  8.0125  0.000000       8.012538 
1 1 1 -8  -11 60 o 47.854  4.7147  285.126    54.033   242.987    67.604   359.651    89.905   43.594  6.5975  52.991  7.1769  -9.396885      9.748596 
1 1 1 -8  -11 61 o 65.279  4.9778  529.859    78.251   490.014    93.472   623.206    143.067  62.320  6.2664  69.204  8.7132  -6.884491      10.73259 
1 1 1 -8  -11 62 o 22.210  6.8644  62.377     40.737   50.660     44.323   126.125    103.384  20.839  7.2044  31.620  10.999  -10.78088      13.14834 
1 1 1 -8  -11 63 o 35.187  5.3990  157.448    44.623   173.188    52.910   118.670    83.048   36.705  6.1590  30.156  9.8586  6.549650       11.62429 
1 1 1 -8  -10 1  o 400.460 11.511  19509.29   1118.54  19381.73   1591.13  19633.92   1572.72  398.582 16.452  401.206 16.156  -2.624603      23.05812 
1 1 1 -8  -10 2  o 474.229 13.361  27382.94   1537.43  27951.48   2182.26  26822.67   2166.34  478.281 18.804  468.479 19.058  9.802429       26.77319 
1 1 1 -8  -10 3  f 318.502 9.3065  12328.52   719.218  13475.47   1023.56  11209.95   1010.82  332.742 12.678  303.401 13.731  29.34100       18.68839 
1 1 1 -8  -10 4  o 770.711 14.920  72382.48   2790.20  74625.69   3951.51  70151.89   3940.39  780.925 20.854  756.966 21.454  23.95892       29.91895 
1 1 1 -8  -10 5  o 656.089 12.832  52392.82   2042.71  52024.14   2894.15  52758.80   2883.53  652.688 18.275  657.326 18.079  -4.638245      25.70650 
1 1 1 -8  -10 6  o 311.506 6.5131  11782.32   492.284  11375.51   701.199  12177.73   691.296  305.940 9.4458  316.570 8.9998  -10.62958      13.04682 
1 1 1 -8  -10 7  f 559.560 11.019  38077.29   1496.06  37984.31   2121.04  38169.35   2110.49  558.198 15.660  559.576 15.544  -1.377869      22.06475 
1 1 1 -8  -10 8  o 381.392 7.7499  17668.12   717.188  17341.58   1019.27  17988.30   1009.32  377.615 11.124  384.617 10.815  -7.002380      15.51520 
1 1 1 -8  -10 9  o 57.140  3.0161  397.291    41.669   470.106    61.632   335.982    56.553   62.102  4.1134  52.422  4.4894  9.679962       6.088915 
1 1 1 -8  -10 10 o 384.535 7.8772  17961.27   734.979  16916.24   1044.39  18986.65   1034.52  372.920 11.542  395.148 10.790  -22.22781      15.79994 
1 1 1 -8  -10 11 o 544.337 15.116  36109.39   1996.49  37380.41   2837.30  34862.87   2809.82  552.648 21.159  533.592 21.702  19.05585       30.30982 
1 1 1 -8  -10 12 o 312.186 9.3793  11844.42   710.475  10973.76   1018.32  12670.21   991.732  300.176 13.981  322.655 12.668  -22.47980      18.86640 
1 1 1 -8  -10 13 o 655.543 18.365  52483.20   2921.11  50476.12   4145.61  54462.38   4116.69  640.538 26.673  665.752 25.484  -25.21454      36.89066 
1 1 1 -8  -10 14 o 765.531 21.010  71720.95   3902.60  74255.45   5534.25  69214.02   5504.09  775.720 29.403  748.531 30.305  27.18878       42.22451 
1 1 1 -8  -10 15 o 301.003 6.2485  11000.52   456.360  10763.46   647.075  11235.14   643.720  297.619 8.9605  304.083 8.7245  -6.463928      12.50627 
1 1 1 -8  -10 16 o 473.148 9.4192  27208.76   1081.38  26953.29   1531.26  27462.93   1527.35  470.488 13.413  474.936 13.254  -4.447662      18.85679 
1 1 1 -8  -10 17 o 394.431 7.9950  18899.42   765.160  19317.98   1083.94  18483.69   1080.26  398.521 11.210  389.801 11.422  8.719818       16.00334 
1 1 1 -8  -10 18 o 136.938 3.8462  2275.71    127.795  2367.51    181.759  2185.95    179.718  139.652 5.3640  134.188 5.5197  5.464050       7.696686 
1 1 1 -8  -10 19 o 324.244 6.7434  12767.71   530.536  12622.93   752.175  12911.06   748.420  322.232 9.6202  325.900 9.4645  -3.667572      13.49539 
1 1 1 -8  -10 20 o 151.462 4.0140  2784.22    147.517  2868.27    210.041  2702.40    207.227  153.703 5.6319  149.191 5.7245  4.512283       8.030513 
1 1 1 -8  -10 21 o 163.841 4.1290  3258.10    164.146  3375.75    233.188  3142.55    231.102  166.739 5.7637  160.873 5.9205  5.866043       8.262712 
1 1 1 -8  -10 22 o 590.493 11.728  42461.38   1680.30  41561.84   2378.51  43357.59   2374.10  583.053 16.813  595.619 16.427  -12.56616      23.50567 
1 1 1 -8  -10 23 o 310.755 6.4102  11730.55   483.342  11650.34   685.494  11809.86   681.619  309.491 9.1283  311.612 9.0149  -2.121368      12.82948 
1 1 1 -8  -10 24 o 342.842 7.1453  14286.30   594.401  14555.15   842.729  14020.13   838.506  345.743 10.045  339.312 10.185  6.431030       14.30514 
1 1 1 -8  -10 25 o 83.098  3.4204  838.176    68.966   864.677    99.443   813.618    95.728   84.238  4.8862  81.707  4.8502  2.530807       6.884747 
1 1 1 -8  -10 26 o 176.724 4.2854  3792.59    183.760  3736.17    261.574  3847.57    258.209  175.317 6.1490  177.921 5.9811  -2.603836      8.578093 
1 1 1 -8  -10 27 o 238.465 7.5296  6922.54    435.673  7153.35    603.280  6670.97    629.849  242.053 10.272  233.624 11.111  8.429260       15.13158 
1 1 1 -8  -10 28 o 339.427 9.9703  14072.84   821.142  14113.54   1147.32  14030.10   1175.74  338.817 13.956  337.687 14.349  1.130524       20.01674 
1 1 1 -8  -10 29 o 313.311 9.4103  11987.92   715.389  12567.27   997.612  11374.61   1026.43  319.886 12.853  304.010 13.915  15.87534       18.94254 
1 1 1 -8  -10 30 o 115.330 3.9992  1615.64    111.913  1320.72    185.093  1785.58    140.505  103.862 7.3929  121.212 4.7773  -17.35040      8.802137 
1 1 1 -8  -10 31 o 284.900 6.2257  9875.87    430.372  10001.20   611.539  9752.88    605.779  286.289 8.8035  282.707 8.8311  3.581726       12.46953 
1 1 1 -8  -10 32 o 356.174 7.4488  15454.28   643.739  15326.54   913.388  15580.36   907.410  353.944 10.635  356.906 10.478  -2.962463      14.93002 
1 1 1 -8  -10 33 o 80.381  3.5539  784.611    69.314   842.302    98.246   727.434    97.806   83.105  4.8938  77.176  5.2543  5.929283       7.180298 
1 1 1 -8  -10 34 o 367.538 7.6591  16462.24   683.036  17512.45   994.924  15526.01   939.386  378.232 10.841  356.126 10.871  22.10577       15.35282 
1 1 1 -8  -10 35 o 70.505  4.5094  606.502    76.739   611.118    161.886  605.164    87.153   70.044  9.7929  70.366  5.1401  -0.3218613     11.05990 
1 1 1 -8  -10 36 o 231.952 7.6498  6559.07    430.537  6496.45    639.100  6611.09    582.563  230.152 11.444  232.406 10.331  -2.254196      15.41744 
1 1 1 -8  -10 37 o 218.223 7.2731  5804.73    385.106  6116.49    575.935  5552.62    517.917  223.411 10.624  212.981 10.022  10.42973       14.60547 
1 1 1 -8  -10 38 o 210.543 5.0730  5391.52    259.159  5410.54    370.569  5373.31    362.573  210.637 7.2505  209.931 7.1180  0.7063293      10.16050 
1 1 1 -8  -10 39 o 132.256 4.1055  2126.07    131.748  2130.53    186.837  2121.65    185.805  132.270 5.8216  131.995 5.8014  0.2744293      8.218710 
1 1 1 -8  -10 40 o 71.322  3.8567  620.133    66.495   564.862    90.607   684.649    97.892   67.875  5.5502  74.784  5.4319  -6.908829      7.765935 
1 1 1 -8  -10 41 o 123.609 3.8896  1858.05    116.660  1716.29    165.021  1999.67    164.945  118.638 5.7326  128.105 5.3065  -9.466797      7.811643 
1 1 1 -8  -10 42 o 127.392 3.9888  1974.68    123.297  1915.96    175.160  2032.35    173.588  125.284 5.7620  129.063 5.5431  -3.778511      7.995431 
1 1 1 -8  -10 43 o 83.860  3.6841  855.717    74.965   814.910    104.342  899.253    107.774  81.538  5.3027  85.686  5.2084  -4.147423      7.432789 
1 1 1 -8  -10 44 o 190.167 4.7897  4412.87    221.007  4286.52    316.155  4533.62    309.069  186.821 6.9744  192.245 6.6258  -5.423340      9.619960 
1 1 1 -8  -10 45 o 63.195  3.9712  488.607    60.584   511.617    81.866   460.746    90.080   64.470  5.2797  60.991  6.1720  3.479427       8.122064 
1 1 1 -8  -10 46 o 42.357  4.5248  221.544    45.785   237.165    61.888   202.657    68.049   43.565  6.0153  39.936  7.2912  3.628433       9.452229 
1 1 1 -8  -10 47 o 26.956  6.7611  93.026     44.144   77.018     52.136   133.567    82.970   24.980  7.7731  32.439  9.7515  -7.458677      12.47046 
1 1 1 -8  -10 48 o 19.380  6.8160  40.993     39.754   31.837     48.397   59.984     69.703   19.293  7.3901  24.348  8.9646  -5.054859      11.61799 
1 1 1 -8  -10 49 o 132.408 5.5377  2152.39    177.913  2369.74    234.489  1857.51    273.120  138.275 7.0119  121.367 9.3464  16.90836       11.68430 
1 1 1 -8  -10 50 o 56.349  5.7318  394.302    77.277   394.302    77.277   0.0000     0.0000   56.349  5.7318  ?       ?       0.000000       5.731826 
1 1 1 -8  -10 51 f 23.533  7.6482  67.013     50.010   67.013     50.010   0.0000     0.0000   23.533  7.6482  ?       ?       0.000000       7.648165 
1 1 1 -8  -10 52 o 54.889  4.1125  370.566    54.373   270.835    74.751   482.621    79.235   46.249  6.8700  62.432  5.2800  -16.18362      8.664633 
1 1 1 -8  -10 53 o 67.074  6.2782  562.028    100.988  664.225    197.511  525.853    117.510  70.539  11.968  64.404  7.6705  6.134712       14.21475 
1 1 1 -8  -10 54 o 95.298  6.1983  1131.54    142.545  1058.52    265.438  1161.13    168.978  88.587  12.713  96.057  7.3047  -7.470413      14.66252 
1 1 1 -8  -10 55 o 36.527  5.1916  167.822    44.718   180.538    63.182   155.058    63.300   37.361  7.2311  34.439  7.7609  2.921227       10.60759 
1 1 1 -8  -10 56 o 46.677  4.6587  270.932    52.059   238.745    73.468   303.390    73.777   43.024  7.2984  48.934  6.3642  -5.910191      9.683480 
1 1 1 -8  -10 57 o 46.572  4.3597  269.120    48.693   185.182    65.293   374.292    73.087   37.714  7.3995  54.642  5.5913  -16.92853      9.274433 
1 1 1 -8  -10 58 o 29.260  8.4398  112.335    63.228   0.0000     0.0000   112.335    63.228   ?       ?       29.260  8.4398  0.000000       8.439795 
1 1 1 -8  -10 59 o 47.155  4.6420  276.713    52.424   268.678    65.892   290.571    86.537   46.063  6.0411  47.311  7.8109  -1.248585      9.874511 
1 1 1 -8  -10 60 o 19.541  6.4885  45.763     35.923   57.327     40.980   7.3885     74.652   21.539  6.9160  20.307  8.6432  1.231522       11.06955 
1 1 1 -8  -10 61 f 21.249  6.8417  55.735     40.084   54.422     43.434   63.272     104.077  21.285  7.1362  26.961  10.689  -5.675848      12.85193 
1 1 1 -8  -10 62 o 21.863  6.8473  60.126     40.383   70.304     44.534   13.032     95.792   23.465  7.1647  22.931  9.7762  0.5330391      12.12051 
1 1 1 -8  -9  1  o 340.566 9.9928  14099.32   825.758  13795.31   1176.04  14394.96   1159.73  336.516 14.403  343.800 13.902  -7.284088      20.01799 
1 1 1 -8  -9  2  o 470.581 13.257  26958.80   1513.74  27363.92   2147.38  26558.65   2134.19  473.298 18.699  466.254 18.865  7.044495       26.56140 
1 1 1 -8  -9  3  o 699.837 19.382  59855.59   3291.16  59590.81   4659.81  60119.16   4649.00  695.684 27.605  698.831 27.417  -3.146912      38.90704 
1 1 1 -8  -9  4  o 121.823 4.9088  1801.34    145.099  1954.85    208.182  1656.32    202.344  126.699 6.7967  116.564 7.1893  10.13505       9.893485 
1 1 1 -8  -9  5  o 667.630 13.004  54254.18   2106.54  56009.80   2984.75  52511.77   2973.48  677.290 18.162  655.676 18.690  21.61401       26.06119 
1 1 1 -8  -9  6  o 566.155 11.184  38981.71   1536.33  38348.34   2177.99  39608.97   2167.44  560.823 16.005  570.025 15.671  -9.202026      22.39968 
1 1 1 -8  -9  7  o 603.013 11.817  44235.00   1728.94  44643.48   2450.36  43830.01   2439.86  604.974 16.693  599.421 16.775  5.553040       23.66554 
1 1 1 -8  -9  8  o 167.197 4.1434  3392.65    168.095  3751.11    242.034  3058.63    233.634  175.783 5.6746  158.723 6.0664  17.05959       8.306768 
1 1 1 -8  -9  9  o 151.410 3.8139  2782.07    140.117  2838.81    199.363  2726.68    196.969  152.925 5.3728  149.874 5.4164  3.051407       7.629160 
1 1 1 -8  -9  10 o 601.724 11.817  44046.15   1725.30  43048.83   2441.77  45040.49   2438.11  594.024 16.941  607.690 16.535  -13.66589      23.67290 
1 1 1 -8  -9  11 o 572.415 11.309  39850.66   1570.70  39889.95   2223.09  39811.48   2219.53  571.984 16.018  571.422 16.008  0.5610352      22.64588 
1 1 1 -8  -9  12 o 668.260 18.427  54535.98   2987.96  56123.60   4240.84  52970.96   4210.55  675.770 25.864  656.326 26.440  19.44415       36.98619 
1 1 1 -8  -9  13 o 115.806 4.9743  1627.83    139.775  1770.61    209.031  1512.35    187.984  120.534 7.1798  111.378 6.9914  9.155350       10.02145 
1 1 1 -8  -9  14 o 721.083 19.995  63574.12   3498.42  63429.32   4963.59  63717.07   4931.58  717.396 28.515  719.120 28.263  -1.724121      40.14859 
1 1 1 -8  -9  15 o 462.987 9.2971  26049.97   1044.44  25515.33   1478.78  26582.13   1475.33  457.804 13.312  467.313 13.011  -9.508789      18.61492 
1 1 1 -8  -9  16 o 321.980 6.7087  12588.66   524.122  12649.99   742.812  12527.85   739.640  322.619 9.4891  321.058 9.4945  1.561615       13.42344 
1 1 1 -8  -9  17 o 382.832 7.8206  17802.78   726.457  17441.95   1029.02  18161.30   1025.72  378.688 11.199  386.440 10.939  -7.752563      15.65508 
1 1 1 -8  -9  18 o 362.819 7.5393  15989.23   663.719  15881.24   940.299  16096.46   936.989  361.374 10.724  363.824 10.614  -2.449341      15.08824 
1 1 1 -8  -9  19 o 310.079 6.5243  11675.55   490.873  11901.77   695.635  11451.19   692.772  312.929 9.1616  306.940 9.3019  5.989258       13.05606 
1 1 1 -8  -9  20 o 462.412 9.3757  25993.17   1051.95  26000.99   1489.34  25985.38   1486.04  462.018 13.285  461.883 13.260  0.1352234      18.77018 
1 1 1 -8  -9  21 o 181.716 4.3487  4007.92    191.741  4163.27    272.489  3855.56    269.855  185.163 6.0650  178.185 6.2416  6.978653       8.702959 
1 1 1 -8  -9  22 o 210.245 4.9814  5366.28    254.122  5532.11    360.819  5203.06    357.964  213.401 6.9683  206.951 7.1287  6.450180       9.968717 
1 1 1 -8  -9  23 o 23.507  5.7232  69.797     32.338   48.403     46.254   90.254     45.229   21.152  7.3569  26.757  6.9160  -5.605467      10.09735 
1 1 1 -8  -9  24 o 268.061 5.8207  8728.17    378.593  9003.33    537.010  8456.27    533.825  272.099 8.1338  263.686 8.3435  8.412384       11.65213 
1 1 1 -8  -9  25 o 314.222 6.6279  12001.05   505.332  12309.83   716.393  11695.26   712.915  317.953 9.2859  309.891 9.4812  8.062622       13.27109 
1 1 1 -8  -9  26 o 139.569 3.8257  2365.03    129.557  2425.69    184.829  2306.44    181.655  141.296 5.3911  137.777 5.4338  3.518280       7.654456 
1 1 1 -8  -9  27 o 209.014 6.9888  5315.70    354.439  5985.38    488.086  4568.56    515.544  221.567 9.0788  193.037 11.053  28.53024       14.30343 
1 1 1 -8  -9  28 o 222.375 7.1311  6020.28    384.777  5964.06    529.941  6082.97    559.582  220.981 9.8835  223.103 10.337  -2.122284      14.30161 
1 1 1 -8  -9  29 o 394.156 11.254  19025.13   1076.30  18046.50   1506.32  20045.94   1538.44  381.961 16.253  402.805 15.741  -20.84378      22.62576 
1 1 1 -8  -9  30 o 217.240 5.1386  5736.86    270.863  5912.95    385.136  5564.51    381.014  220.339 7.2038  213.731 7.3470  6.607346       10.28943 
1 1 1 -8  -9  31 o 60.480  3.6939  445.874    53.948   408.647    76.816   482.106    75.782   57.707  5.5547  62.780  5.0168  -5.073833      7.484838 
1 1 1 -8  -9  32 o 227.097 5.1680  6269.19    284.775  6128.78    404.917  6406.61    400.584  224.304 7.4399  229.361 7.1980  -5.057495      10.35193 
1 1 1 -8  -9  33 o 176.779 4.4140  3796.88    189.335  3784.27    269.883  3809.09    265.687  176.353 6.3071  176.940 6.1884  -0.5872040     8.836073 
1 1 1 -8  -9  34 o 220.507 4.9735  5910.11    266.104  5432.19    379.153  6374.05    373.564  211.162 7.4001  228.819 6.7284  -17.65717      10.00158 
1 1 1 -8  -9  35 o 221.410 7.4015  5973.19    397.631  5971.75    591.798  5974.37    536.875  220.520 11.096  221.036 10.010  -0.5163727     14.94386 
1 1 1 -8  -9  36 o 128.963 5.9156  2023.64    185.109  1960.10    283.286  2070.99    244.536  126.316 9.3084  130.096 7.7824  -3.779778      12.13307 
1 1 1 -8  -9  37 o 191.484 6.8716  4467.28    319.266  4609.90    479.811  4353.96    427.691  193.753 10.242  188.701 9.3410  5.052063       13.86220 
1 1 1 -8  -9  38 f 112.458 3.8871  1536.63    106.067  1501.85    149.624  1571.77    150.381  111.091 5.5508  113.654 5.4531  -2.562653      7.781264 
1 1 1 -8  -9  39 o 191.003 4.7577  4437.42    220.497  4374.81    314.359  4498.04    309.361  189.392 6.8407  192.070 6.6381  -2.678436      9.532002 
1 1 1 -8  -9  40 o 116.598 3.8144  1652.59    107.915  1596.10    151.844  1710.24    153.399  114.470 5.4669  118.504 5.3349  -4.033562      7.638590 
1 1 1 -8  -9  41 o 40.478  4.8407  202.341    46.600   165.523    60.978   254.029    72.251   36.161  7.2027  45.096  6.8156  -8.935020      9.916197 
1 1 1 -8  -9  42 o 64.980  3.9043  515.592    61.273   531.013    84.231   498.261    89.296   65.769  5.3239  63.615  5.8507  2.154186       7.910386 
1 1 1 -8  -9  43 o 88.676  3.7827  957.068    81.390   955.401    113.230  958.850    117.071  88.306  5.3092  88.437  5.4827  -0.1309738     7.632062 
1 1 1 -8  -9  44 o 98.115  3.7453  1172.15    89.163   1126.04    127.494  1216.30    124.743  95.809  5.5075  99.649  5.1770  -3.840416      7.558661 
1 1 1 -8  -9  45 o 62.646  3.8151  479.913    57.715   511.611    82.485   449.510    80.784   64.456  5.3217  60.343  5.5806  4.112705       7.711282 
1 1 1 -8  -9  46 o 15.952  6.0045  22.988     31.604   19.094     41.375   28.442     48.969   16.972  6.7359  19.032  7.3951  -2.060440      10.00299 
1 1 1 -8  -9  47 o 160.975 6.0271  3184.20    235.413  3295.31    314.849  3043.33    354.519  162.991 7.9611  155.694 9.4288  7.297668       12.34024 
1 1 1 -8  -9  48 o 27.458  6.8137  96.668     45.180   68.674     55.424   152.119    78.004   24.132  8.0613  34.280  9.1902  -10.14763      12.22474 
1 1 1 -8  -9  49 o 69.691  6.1447  602.362    102.844  602.362    102.844  0.0000     0.0000   69.691  6.1447  ?       ?       0.000000       6.144747 
1 1 1 -8  -9  50 o 24.010  7.5257  71.115     48.771   71.115     48.771   0.0000     0.0000   24.010  7.5257  ?       ?       0.000000       7.525699 
1 1 1 -8  -9  51 o 19.841  6.5410  46.659     36.531   66.714     48.647   20.726     55.318   23.410  7.5371  19.062  7.7118  4.348370       10.78331 
1 1 1 -8  -9  52 o 52.484  4.2630  339.391    53.820   387.376    75.920   290.915    76.307   55.780  5.6890  47.989  6.7389  7.790775       8.819155 
1 1 1 -8  -9  53 o 41.467  8.4326  223.930    81.957   381.499    226.040  200.080    87.940   51.869  16.193  38.925  9.4140  12.94431       18.73020 
1 1 1 -8  -9  54 o 67.726  6.7578  577.115    109.567  736.267    258.220  542.169    121.000  71.970  15.260  65.240  7.7984  6.729691       17.13748 
1 1 1 -8  -9  55 o 46.120  5.8501  267.823    63.994   290.505    93.685   247.981    87.622   47.187  8.4948  43.478  8.6104  3.709862       12.09548 
1 1 1 -8  -9  56 o 20.751  7.7884  42.361     53.100   62.375     176.186  40.361     55.689   32.069  13.444  20.816  7.9383  11.25267       15.61286 
1 1 1 -8  -9  57 o 39.309  7.6616  201.652    70.450   0.0000     0.0000   201.652    70.450   ?       ?       39.309  7.6616  0.000000       7.661577 
1 1 1 -8  -9  58 o 17.329  6.1431  32.951     32.353   66.871     40.091   -30.3870   54.783   22.874  6.7560  15.045  6.8450  7.829348       9.617556 
1 1 1 -8  -9  59 o 76.888  4.1666  728.617    77.443   688.977    104.066  777.814    115.936  74.207  5.8265  78.753  6.1151  -4.546631      8.446422 
1 1 1 -8  -9  60 o 69.405  4.2825  594.667    71.767   562.068    94.835   638.353    109.785  66.952  5.8979  71.173  6.4265  -4.220497      8.722687 
1 1 1 -8  -9  61 f 42.962  5.6169  233.091    57.150   226.936    64.371   256.004    124.195  42.106  6.5107  42.918  11.634  -0.8124237     13.33226 
1 1 1 -8  -9  62 o 34.699  6.0338  154.583    48.956   170.588    54.152   82.977     114.538  36.389  6.3648  28.896  11.287  7.493156       12.95794 
1 1 1 -8  -8  1  o 291.018 8.6124  10289.58   608.149  11518.02   866.443  9096.72    853.802  307.720 11.604  273.388 12.871  34.33221       17.32987 
1 1 1 -8  -8  2  o 453.491 12.803  25028.95   1408.81  25179.96   1997.28  24879.41   1987.48  454.138 18.125  451.416 18.145  2.721588       25.64715 
1 1 1 -8  -8  3  o 714.738 19.697  62440.12   3415.98  65501.27   4834.79  59388.76   4827.05  729.555 27.312  694.184 28.658  35.37073       39.58821 
1 1 1 -8  -8  4  o 263.292 7.9462  8420.47    507.647  9365.67    720.487  7488.62    715.383  277.539 10.699  248.109 11.883  29.42929       15.98986 
1 1 1 -8  -8  5  o 243.206 5.3079  7179.91    313.228  7716.71    447.862  6665.94    438.236  252.072 7.3224  234.269 7.7096  17.80287       10.63276 
1 1 1 -8  -8  6  o 630.708 12.335  48402.68   1887.74  51138.14   2675.04  45689.12   2664.32  647.424 17.029  611.770 17.949  35.65411       24.74126 
1 1 1 -8  -8  7  o 844.630 16.303  86996.42   3341.11  86022.84   4727.33  87968.13   4722.76  837.668 23.258  847.193 22.975  -9.525208      32.69232 
1 1 1 -8  -8  8  o 843.707 16.376  86810.51   3352.49  85466.07   4743.13  88152.68   4739.13  834.893 23.414  848.059 23.031  -13.16571      32.84233 
1 1 1 -8  -8  9  o 850.982 16.366  88313.37   3379.38  88478.80   4781.10  88148.19   4777.22  849.568 23.193  847.970 23.218  1.598145       32.81809 
1 1 1 -8  -8  10 o 605.081 11.767  44537.28   1727.61  44329.84   2444.93  44744.14   2441.49  602.850 16.714  605.680 16.613  -2.830261      23.56618 
1 1 1 -8  -8  11 o 238.642 5.2085  6912.83    301.598  6412.24    427.811  7407.44    425.248  229.769 7.6736  246.977 7.0961  -17.20801      10.45173 
1 1 1 -8  -8  12 o 259.622 7.9817  8187.47    502.806  8333.52    725.876  8052.76    697.146  261.759 11.429  257.326 11.165  4.432526       15.97754 
1 1 1 -8  -8  13 f 696.244 19.189  59227.63   3241.70  60754.89   4600.77  57721.84   4568.31  702.751 26.981  684.804 27.493  17.94739       38.52108 
1 1 1 -8  -8  14 o 452.524 13.020  24924.96   1429.62  23453.33   2037.82  26351.19   2006.14  438.130 19.169  464.635 17.795  -26.50528      26.15519 
1 1 1 -8  -8  15 o 274.460 5.6926  9144.60    379.103  9380.58    537.192  8910.46    535.079  277.895 7.9668  270.835 8.1423  7.060425       11.39156 
1 1 1 -8  -8  16 o 210.413 4.9602  5373.90    253.244  5645.36    358.851  5104.58    357.436  215.615 6.8592  205.019 7.1852  10.59607       9.933548 
1 1 1 -8  -8  17 o 648.420 12.603  51169.84   1982.91  49770.65   2805.47  52566.62   2803.06  638.425 18.111  656.230 17.604  -17.80450      25.25654 
1 1 1 -8  -8  18 o 265.659 5.7948  8568.04    373.532  8619.66    529.385  8516.85    527.132  266.367 8.1908  264.774 8.2050  1.593750       11.59361 
1 1 1 -8  -8  19 o 207.436 4.8367  5222.95    243.442  5326.67    345.235  5120.38    343.330  209.435 6.7936  205.336 6.8910  4.098450       9.676746 
1 1 1 -8  -8  20 o 208.753 4.7798  5289.58    242.106  5391.49    343.275  5188.71    341.512  210.702 6.7144  206.699 6.8093  4.003357       9.562976 
1 1 1 -8  -8  21 o 288.920 6.0542  10136.11   424.425  9946.76    601.372  10324.03   599.089  286.077 8.6636  291.463 8.4712  -5.386200      12.11684 
1 1 1 -8  -8  22 o 332.678 6.9427  13444.21   560.421  13744.71   793.851  13145.66   791.266  336.170 9.7323  328.747 9.9197  7.423340       13.89668 
1 1 1 -8  -8  23 o 161.803 4.2047  3177.88    165.076  3230.85    234.654  3125.98    232.270  163.104 5.9292  160.434 5.9667  2.670135       8.411740 
1 1 1 -8  -8  24 o 481.372 9.7339  28206.33   1136.92  28267.72   1609.39  28145.18   1606.32  481.090 13.787  480.045 13.791  1.044769       19.50041 
1 1 1 -8  -8  25 o 202.390 4.8119  4974.40    236.303  5033.51    335.295  4916.07    333.082  203.490 6.7908  201.099 6.8261  2.390030       9.628673 
1 1 1 -8  -8  26 o 177.025 4.4049  3805.72    189.206  3855.67    269.001  3756.81    266.175  178.095 6.2250  175.796 6.2402  2.298920       8.814201 
1 1 1 -8  -8  27 o 261.348 8.0917  8319.39    513.125  8481.93    710.483  8142.17    741.872  263.427 11.116  257.966 11.852  5.461121       16.24904 
1 1 1 -8  -8  28 o 121.165 5.1670  1784.36    151.908  1788.51    203.299  1779.12    228.576  121.018 6.9527  120.589 7.8548  0.4286499      10.48990 
1 1 1 -8  -8  29 o 204.880 6.8680  5110.27    341.425  5451.35    468.134  4722.66    499.042  211.326 9.1296  196.224 10.520  15.10147       13.92894 
1 1 1 -8  -8  30 o 200.594 4.7576  4889.89    231.564  5104.00    329.723  4681.51    325.286  204.777 6.6360  196.099 6.8364  8.677979       9.527428 
1 1 1 -8  -8  31 o 265.245 5.7392  8556.04    369.373  8523.88    524.978  8587.58    519.806  264.419 8.1825  265.423 8.0712  -1.003632      11.49337 
1 1 1 -8  -8  32 o 122.462 3.7671  1821.31    111.937  1812.72    159.929  1829.55    156.725  122.106 5.3979  122.678 5.2651  -0.5717621     7.540474 
1 1 1 -8  -8  33 o 141.299 4.0327  2425.11    138.260  2443.47    195.568  2406.78    195.489  141.748 5.6861  140.677 5.7271  1.070724       8.070415 
1 1 1 -8  -8  34 o 246.211 5.4728  7371.21    326.952  7197.48    464.630  7541.61    460.162  242.996 7.8803  248.775 7.6232  -5.778793      10.96417 
1 1 1 -8  -8  35 o 177.992 6.6490  3857.02    287.158  3745.54    433.372  3944.27    383.409  174.684 10.270  179.759 8.7904  -5.074783      13.51803 
1 1 1 -8  -8  36 o 73.220  6.1958  657.144    109.043  783.745    170.897  570.209    141.617  79.606  9.0060  67.777  8.8203  11.82912       12.60575 
1 1 1 -8  -8  37 o 360.570 10.940  15945.28   957.148  15277.42   1388.39  16550.16   1321.32  350.625 16.319  365.664 14.892  -15.03940      22.09311 
1 1 1 -8  -8  38 o 81.889  3.7854  814.731    75.213   864.346    104.075  760.490    108.819  84.140  5.1222  78.836  5.7279  5.303787       7.684075 
1 1 1 -8  -8  39 f 179.447 4.6793  3916.68    203.740  3732.79    290.109  4095.63    286.196  174.930 6.8349  183.291 6.4351  -8.361450      9.387593 
1 1 1 -8  -8  40 o 38.847  5.0672  186.819    46.625   211.130    60.361   150.855    73.417   41.147  6.2417  34.423  8.7662  6.723751       10.76124 
1 1 1 -8  -8  41 o 27.261  5.9521  94.201     38.268   98.175     49.965   88.562     59.517   27.821  7.3073  26.888  8.2950  0.9337425      11.05458 
1 1 1 -8  -8  42 o 22.803  6.3743  65.383     36.638   52.675     50.088   80.008     53.734   21.937  7.6543  25.544  7.8818  -3.607643      10.98691 
1 1 1 -8  -8  43 o 42.242  4.6513  220.166    46.884   215.768    67.835   224.188    64.873   41.385  7.0053  42.298  6.5312  -0.9134941     9.577592 
1 1 1 -8  -8  44 o 146.333 4.2473  2610.44    150.806  2682.79    216.388  2542.11    210.288  147.987 6.0262  144.058 6.0161  3.929825       8.515189 
1 1 1 -8  -8  45 o 177.241 4.6010  3835.58    197.871  3812.08    283.985  3857.75    275.857  176.090 6.6465  177.222 6.4151  -1.131454      9.237423 
1 1 1 -8  -8  46 o 112.633 3.8728  1546.79    105.840  1496.18    151.765  1594.71    147.680  110.316 5.6892  114.111 5.3337  -3.794327      7.798408 
1 1 1 -8  -8  47 o 119.213 5.3361  1741.73    154.352  1868.37    202.019  1564.12    239.247  122.907 6.8005  111.648 8.9055  11.25899       11.20514 
1 1 1 -8  -8  48 o 24.119  7.8369  70.115     52.510   70.115     52.510   0.0000     0.0000   24.119  7.8369  ?       ?       0.000000       7.836940 
1 1 1 -8  -8  49 o 63.195  5.5182  493.923    83.764   493.923    83.764   0.0000     0.0000   63.195  5.5182  ?       ?       0.000000       5.518159 
1 1 1 -8  -8  50 o 35.601  5.0953  158.505    42.759   129.534    59.248   189.997    61.772   31.658  7.7707  38.650  6.8370  -6.992075      10.35026 
1 1 1 -8  -8  51 o 32.985  5.6174  137.501    43.347   115.084    60.225   161.597    62.439   29.849  8.1060  35.402  7.5019  -5.552984      11.04476 
1 1 1 -8  -8  52 o 84.731  5.1620  886.080    105.620  1036.09    276.085  860.362    114.317  87.726  13.395  83.336  5.6874  4.389595       14.55240 
1 1 1 -8  -8  53 o 64.285  6.8015  519.778    104.480  551.029    248.361  513.058    115.166  61.729  16.330  63.583  7.6164  -1.854244      18.01855 
1 1 1 -8  -8  54 o 56.787  4.6524  399.043    63.542   435.927    80.093   336.398    104.381  59.103  5.6539  50.824  8.7818  8.278816       10.44444 
1 1 1 -8  -8  55 o 55.277  4.3781  377.773    58.240   383.485    81.442   371.794    83.319   55.191  6.1881  54.246  6.4569  0.9447861      8.943451 
1 1 1 -8  -8  56 o 43.011  7.2408  238.562    72.881   0.0000     0.0000   238.562    72.881   ?       ?       43.011  7.2408  0.000000       7.240780 
1 1 1 -8  -8  57 o 39.817  7.4461  206.040    69.293   0.0000     0.0000   206.040    69.293   ?       ?       39.817  7.4461  0.000000       7.446083 
1 1 1 -8  -8  58 f 21.947  7.5013  56.916     48.001   67.157     63.436   43.196     73.422   24.216  8.6000  22.854  9.0038  1.362528       12.45108 
1 1 1 -8  -8  59 o 39.650  5.4675  198.354    51.202   193.056    64.530   207.360    84.130   38.612  7.1511  39.463  8.9871  -0.8517609     11.48509 
1 1 1 -8  -8  60 o 63.784  4.5151  503.596    69.427   442.346    93.448   579.056    103.722  59.071  6.6345  67.774  6.3825  -8.703243      9.206085 
1 1 1 -8  -8  61 o 46.323  5.4907  270.085    60.513   261.876    69.638   295.398    122.280  45.272  6.5281  46.293  11.041  -1.020737      12.82658 
1 1 1 -8  -8  62 o 38.354  5.5701  186.852    50.321   155.686    61.648   249.074    87.106   34.339  7.6000  43.265  8.6004  -8.926350      11.47723 
1 1 1 -8  -7  1  f 353.223 7.2725  15151.99   623.295  14716.82   888.299  15574.03   874.801  347.921 10.522  357.942 10.072  -10.02087      14.56618 
1 1 1 -8  -7  2  o 565.647 15.771  39001.77   2164.52  38323.82   3064.50  39676.70   3057.69  559.321 22.581  569.214 22.139  -9.893188      31.62288 
1 1 1 -8  -7  3  o 1084.74 30.006  145220.30  7897.60  143105.41  11170.53 147333.91  11167.26 1067.18 43.139  1083.40 42.481  -16.21814      60.54423 
1 1 1 -8  -7  4  o 370.446 10.673  16685.34   959.315  16365.36   1357.53  17004.52   1355.83  366.457 15.267  373.578 14.957  -7.121063      21.37324 
1 1 1 -8  -7  5  o 192.277 4.3452  4486.93    202.723  4282.19    288.229  4687.35    285.181  187.801 6.3252  196.493 5.9815  -8.691605      8.705551 
1 1 1 -8  -7  6  o 532.337 10.455  34452.98   1350.50  33593.13   1911.89  35309.26   1907.92  525.063 15.007  538.370 14.605  -13.30640      20.94090 
1 1 1 -8  -7  7  o 405.359 8.1317  19960.53   799.806  19817.15   1132.69  20103.11   1129.51  403.636 11.565  406.548 11.450  -2.912262      16.27463 
1 1 1 -8  -7  8  o 407.277 8.1965  20150.28   809.997  19363.12   1146.93  20933.54   1144.09  398.960 11.848  414.868 11.365  -15.90823      16.41792 
1 1 1 -8  -7  9  o 521.294 10.268  33035.88   1298.74  32849.69   1838.01  33221.54   1835.39  519.284 14.587  522.229 14.484  -2.945923      20.55708 
1 1 1 -8  -7  10 o 199.367 4.5223  4824.05    218.763  4522.29    310.014  5123.35    308.744  192.987 6.6205  205.423 6.1942  -12.43584      9.066349 
1 1 1 -8  -7  11 o 372.269 7.7411  16832.49   699.232  16702.91   989.746  16961.61   987.983  370.616 11.006  373.483 10.902  -2.867188      15.49175 
1 1 1 -8  -7  12 o 1069.78 29.844  141213.80  7746.79  136628.50  10971.43 145772.59  10939.86 1042.58 43.370  1078.23 41.815  -35.64502      60.24510 
1 1 1 -8  -7  13 o 570.295 16.134  39653.98   2232.59  37581.16   3173.18  41685.96   3141.76  553.627 23.622  583.439 22.193  -29.81250      32.41166 
1 1 1 -8  -7  14 o 363.625 10.549  16075.44   930.752  16240.69   1331.99  15917.76   1301.12  365.090 15.036  361.463 14.835  3.627319       21.12260 
1 1 1 -8  -7  15 o 361.584 7.2315  15877.65   634.458  15887.68   898.019  15867.66   896.501  361.516 10.238  361.289 10.227  0.2270813      14.47031 
1 1 1 -8  -7  16 o 278.386 5.9632  9408.61    402.798  9064.40    570.471  9750.82    568.818  273.145 8.6075  283.313 8.2745  -10.16876      11.93972 
1 1 1 -8  -7  17 o 260.000 5.7012  8206.51    359.673  8755.86    509.571  7661.09    507.742  268.486 7.8220  251.121 8.3329  17.36540       11.42897 
1 1 1 -8  -7  18 o 513.560 10.194  32064.48   1270.25  32191.36   1797.27  31937.84   1795.54  514.040 14.410  512.005 14.453  2.034607       20.40891 
1 1 1 -8  -7  19 o 374.136 7.6848  17003.19   697.629  17406.60   987.454  16601.17   985.740  378.325 10.757  369.448 10.996  8.876526       15.38275 
1 1 1 -8  -7  20 o 657.761 12.914  52682.85   2061.08  52720.38   2915.84  52645.39   2913.77  656.782 18.297  656.314 18.297  0.4673462      25.87583 
1 1 1 -8  -7  21 o 336.184 7.0180  13727.64   572.472  13847.60   810.600  13608.27   808.600  337.453 9.8998  334.520 9.9620  2.933716       14.04454 
1 1 1 -8  -7  22 o 358.308 7.4159  15598.19   644.743  16014.20   912.932  15184.23   910.680  362.804 10.371  353.253 10.625  9.551270       14.84696 
1 1 1 -8  -7  23 o 368.717 7.6165  16522.32   681.415  16789.17   964.915  16256.85   962.422  371.369 10.708  365.417 10.855  5.951874       15.24760 
1 1 1 -8  -7  24 o 406.529 8.2911  20099.33   817.841  19964.79   1157.91  20233.28   1155.30  404.660 11.793  407.390 11.687  -2.729767      16.60327 
1 1 1 -8  -7  25 o 312.242 6.5542  11850.15   496.563  11624.44   703.783  12073.89   700.720  308.953 9.3882  314.896 9.1709  -5.943451      13.12418 
1 1 1 -8  -7  26 o 229.201 5.2318  6382.47    290.957  6290.65    412.812  6473.10    410.150  227.377 7.4824  230.664 7.3282  -3.287491      10.47327 
1 1 1 -8  -7  27 o 18.503  7.1448  26.657     45.492   -15.1369   57.372   97.438     74.662   16.745  7.3491  28.767  9.3448  -12.02230      11.88838 
1 1 1 -8  -7  28 o 85.883  4.7293  898.942    98.172   604.487    128.774  1307.56    151.697  70.025  7.7066  103.507 6.0666  -33.48209      9.807858 
1 1 1 -8  -7  29 o 318.833 9.6249  12416.99   744.603  13127.39   1036.14  11658.31   1070.77  326.895 13.063  307.668 14.343  19.22647       19.40038 
1 1 1 -8  -7  30 o 225.058 5.1311  6156.87    280.199  6217.60    398.459  6097.46    394.100  225.947 7.2680  223.755 7.2589  2.192596       10.27203 
1 1 1 -8  -7  31 o 214.642 4.9319  5599.22    256.859  5564.07    365.672  5633.45    360.883  213.772 7.0498  215.115 6.9140  -1.343384      9.874393 
1 1 1 -8  -7  32 o 263.131 5.7737  8420.29    368.629  8233.90    524.097  8602.78    518.585  259.866 8.3119  265.666 8.0449  -5.799164      11.56752 
1 1 1 -8  -7  33 o 118.832 3.8840  1715.07    111.988  1554.82    156.729  1882.23    160.074  112.925 5.7389  124.428 5.3020  -11.50343      7.813159 
1 1 1 -8  -7  34 o 103.438 3.7576  1299.46    94.310   1205.47    131.773  1398.16    135.035  99.417  5.4839  107.243 5.1894  -7.826042      7.550002 
1 1 1 -8  -7  35 o 57.635  6.9879  410.442    95.726   494.717    140.361  337.157    130.889  62.946  9.4844  51.530  10.813  11.41534       14.38323 
1 1 1 -8  -7  36 o 166.133 6.8262  3361.73    275.168  2471.63    417.341  4046.27    365.989  141.314 12.294  182.094 8.2834  -40.78065      14.82414 
1 1 1 -8  -7  37 o 188.783 6.9889  4343.37    320.136  4056.68    485.235  4564.35    426.006  181.501 11.071  193.224 9.0864  -11.72256      14.32239 
1 1 1 -8  -7  38 f 149.505 4.1122  2716.52    149.174  2748.82    212.491  2685.12    209.469  150.257 5.8283  148.507 5.8131  1.749847       8.231732 
1 1 1 -8  -7  39 o 262.740 5.8818  8410.38    374.970  8459.94    534.703  8362.42    525.981  262.944 8.3808  261.448 8.2913  1.496399       11.78908 
1 1 1 -8  -7  40 o 103.642 3.6895  1305.77    92.782   1286.70    132.396  1324.18    130.063  102.634 5.3348  104.272 5.1407  -1.638130      7.408576 
1 1 1 -8  -7  41 o 30.119  5.8509  114.462    41.218   115.823    58.139   113.086    58.443   30.181  7.8609  29.844  7.9341  0.3369884      11.16882 
1 1 1 -8  -7  42 o 131.839 4.4183  2117.27    141.339  2150.49    229.011  2096.84    179.631  132.249 7.1634  131.034 5.6498  1.214828       9.123321 
1 1 1 -8  -7  43 o 55.791  4.1588  381.287    55.894   374.557    83.952   386.645    74.911   54.928  6.4201  55.970  5.5909  -1.041420      8.513284 
1 1 1 -8  -7  44 o 84.623  3.7573  872.167    77.149   763.600    109.357  979.736    108.854  78.769  5.7617  89.412  5.0380  -10.64243      7.653682 
1 1 1 -8  -7  45 o 80.468  3.7493  788.991    73.205   758.941    103.032  819.625    104.030  78.550  5.4393  81.676  5.2775  -3.125610      7.578758 
1 1 1 -8  -7  46 o 59.147  3.9297  428.495    56.076   452.194    78.714   404.072    79.907   60.516  5.4180  57.093  5.8508  3.423271       7.974116 
1 1 1 -8  -7  47 o 53.645  5.1460  355.603    66.160   325.347    82.304   410.862    111.227  50.927  6.8328  56.942  8.2940  -6.014824      10.74602 
1 1 1 -8  -7  48 o 95.825  6.4694  1136.52    149.540  1136.52    149.540  0.0000     0.0000   95.825  6.4694  ?       ?       0.000000       6.469428 
1 1 1 -8  -7  49 o 32.270  7.5674  134.259    58.226   134.259    58.226   0.0000     0.0000   32.270  7.5674  ?       ?       0.000000       7.567435 
1 1 1 -8  -7  50 o 66.855  4.0310  548.021    65.085   504.536    94.809   586.778    89.507   63.668  6.2164  68.908  5.3964  -5.239700      8.231932 
1 1 1 -8  -7  51 o 111.172 4.0479  1511.15    109.192  1484.43    157.697  1535.76    151.340  109.537 5.9557  111.541 5.6097  -2.004456      8.181672 
1 1 1 -8  -7  52 o 65.048  6.8332  531.318    106.238  559.183    261.136  525.792    116.297  62.204  16.874  64.458  7.5807  -2.253914      18.49840 
1 1 1 -8  -7  53 o 95.466  6.4844  1137.60    149.313  1180.40    314.520  1125.15    169.649  92.422  14.503  94.516  7.4581  -2.093323      16.30784 
1 1 1 -8  -7  54 o 94.772  3.9964  1100.78    91.900   1090.05    132.287  1110.79    127.764  93.598  5.8543  94.591  5.5915  -0.9922943     8.095542 
1 1 1 -8  -7  55 o 86.749  4.0443  923.336    85.128   965.368    123.133  884.853    117.820  88.004  5.7989  84.239  5.7996  3.765434       8.201391 
1 1 1 -8  -7  56 o 32.199  8.1227  136.770    63.456   0.0000     0.0000   136.770    63.456   ?       ?       32.199  8.1227  0.000000       8.122709 
1 1 1 -8  -7  57 o 64.617  4.3496  515.934    67.799   535.336    99.862   499.344    92.343   65.153  6.3994  63.009  6.1171  2.144463       8.852744 
1 1 1 -8  -7  58 o 19.990  7.3233  41.784     46.434   59.510     60.955   17.275     71.674   23.243  8.4095  20.655  8.6102  2.588053       12.03558 
1 1 1 -8  -7  59 o 31.688  7.0148  130.846    52.511   93.729     68.503   183.730    81.768   27.322  8.9548  37.088  9.1441  -9.765947      12.79855 
1 1 1 -8  -7  60 o 10.313  4.9776  -57.7391   37.499   -62.0578   40.588   -32.5589   98.005   10.741  5.1827  20.818  9.3425  -10.07767      10.68376 
1 1 1 -8  -7  61 o 60.827  5.0995  461.539    74.570   476.172    87.235   421.831    143.701  61.504  5.9186  55.467  11.065  6.037331       12.54869 
1 1 1 -8  -6  1  o 332.036 7.8688  13391.03   633.957  14512.22   1101.43  12835.57   775.249  345.293 13.146  324.969 9.8318  20.32419       16.41615 
1 1 1 -8  -6  2  o 847.021 23.382  87949.24   4805.49  87669.56   6796.76  88228.78   6795.23  841.218 33.299  843.957 33.183  -2.739319      47.01008 
1 1 1 -8  -6  3  o 1047.04 28.789  135119.30  7314.06  131578.59  10334.77 138672.30  10352.55 1024.55 41.572  1052.65 40.532  -28.09119      58.06126 
1 1 1 -8  -6  4  o 461.637 12.807  25936.33   1434.50  23780.38   2018.83  28134.95   2038.70  441.220 18.857  480.148 17.499  -38.92767      25.72580 
1 1 1 -8  -6  5  o 246.337 5.3456  7366.04    319.513  7536.08    453.015  7197.72    450.714  249.097 7.4951  243.436 7.6305  5.661026       10.69586 
1 1 1 -8  -6  6  o 265.376 5.7255  8549.38    368.672  8511.41    522.198  8587.12    520.568  264.700 8.1305  265.877 8.0692  -1.177124      11.45501 
1 1 1 -8  -6  7  o 147.371 3.8247  2635.60    136.765  2527.53    193.848  2742.71    192.985  144.295 5.5366  150.316 5.2912  -6.020538      7.658401 
1 1 1 -8  -6  8  o 263.546 5.7427  8431.90    367.229  8576.73    519.914  8287.71    518.768  265.717 8.0640  261.196 8.1854  4.520447       11.49038 
1 1 1 -8  -6  9  o 247.427 5.4760  7431.56    328.757  7373.05    465.435  7489.81    464.432  246.378 7.7856  248.324 7.7080  -1.946030      10.95578 
1 1 1 -8  -6  10 o 471.047 9.2781  26964.02   1060.44  27343.17   1500.18  26585.36   1499.20  473.964 13.045  467.329 13.221  6.634857       18.57323 
1 1 1 -8  -6  11 o 1051.46 20.487  135208.91  5226.92  134089.09  7392.50  136328.41  7391.48  1042.80 29.216  1051.62 28.967  -8.815186      41.14243 
1 1 1 -8  -6  12 o 847.930 23.547  88150.10   4844.53  86527.87   6867.06  89757.43   6835.44  835.429 33.876  851.294 33.092  -15.86530      47.35710 
1 1 1 -8  -6  13 o 336.927 9.8330  13797.55   803.874  14291.05   1152.62  13330.16   1121.71  342.590 13.866  330.863 13.972  11.72699       19.68471 
1 1 1 -8  -6  14 o 587.035 16.501  42023.77   2350.42  40809.65   3340.26  43214.51   3307.96  576.880 23.863  593.870 22.956  -16.99036      33.11278 
1 1 1 -8  -6  15 o 243.004 5.4398  7168.10    320.747  7457.87    454.187  6879.81    453.023  247.802 7.5538  237.995 7.8449  9.807373       10.89049 
1 1 1 -8  -6  16 o 261.079 5.8234  8274.81    368.900  7984.81    522.299  8563.48    521.108  256.373 8.3962  265.514 8.0887  -9.140228      11.65859 
1 1 1 -8  -6  17 o 539.384 12.399  35401.85   1622.69  36688.30   2799.46  34750.91   1991.35  547.560 21.071  533.976 15.370  13.58411       26.08058 
1 1 1 -8  -6  18 o 374.739 7.7498  17057.38   704.665  17124.56   997.337  16990.43   995.759  375.252 10.954  373.777 10.979  1.474579       15.50892 
1 1 1 -8  -6  19 o 204.150 4.8825  5058.83    241.854  5125.55    342.682  4992.61    341.387  205.442 6.8745  202.759 6.9391  2.683624       9.767765 
1 1 1 -8  -6  20 o 563.525 11.219  38633.40   1533.98  39799.48   2170.39  37469.49   2168.36  571.218 15.659  554.155 16.126  17.06281       22.47831 
1 1 1 -8  -6  21 o 136.908 3.8145  2274.79    126.716  2188.97    179.713  2359.65    178.697  134.275 5.5159  139.416 5.2825  -5.140808      7.637455 
1 1 1 -8  -6  22 o 608.612 11.966  45108.63   1767.03  45329.51   2500.40  44888.25   2497.53  608.951 16.922  605.962 16.986  2.988464       23.97720 
1 1 1 -8  -6  23 o 498.665 9.8306  30257.03   1189.46  30076.43   1683.64  30436.99   1680.68  496.432 13.977  499.421 13.869  -2.989532      19.69069 
1 1 1 -8  -6  24 o 372.862 7.5776  16902.08   685.555  16855.14   971.037  16948.73   968.012  371.948 10.759  372.988 10.696  -1.040527      15.17137 
1 1 1 -8  -6  25 o 326.773 6.7991  12981.33   539.088  12487.76   763.974  13470.83   760.808  320.141 9.8350  332.561 9.4284  -12.42020      13.62431 
1 1 1 -8  -6  26 o 326.363 6.9471  12955.73   550.131  13130.98   779.907  12782.18   776.111  328.143 9.7953  323.741 9.8801  4.402039       13.91274 
1 1 1 -8  -6  27 o 167.070 6.1674  3394.46    250.016  3886.94    339.619  2811.79    369.410  178.649 7.8348  151.421 10.113  27.22812       12.79256 
1 1 1 -8  -6  28 o 123.604 5.1681  1857.00    154.999  1509.54    205.647  2314.00    235.848  111.054 7.6789  137.684 7.0837  -26.62917      10.44718 
1 1 1 -8  -6  29 o 80.404  4.9766  788.737    96.613   882.596    125.171  650.418    151.953  84.958  6.1129  72.487  8.8213  12.47114       10.73227 
1 1 1 -8  -6  30 o 141.712 4.0733  2439.33    140.062  2420.21    199.954  2457.75    196.251  141.067 5.8417  142.165 5.6892  -1.098648      8.154356 
1 1 1 -8  -6  31 o 113.586 3.7408  1566.83    103.099  1595.58    147.461  1539.34    144.202  114.565 5.3047  112.529 5.2813  2.036057       7.485432 
1 1 1 -8  -6  32 o 294.729 6.3982  10569.76   457.556  10776.32   650.156  10367.06   644.050  297.163 9.0169  291.449 9.1074  5.714569       12.81598 
1 1 1 -8  -6  33 o 152.173 4.2670  2813.17    157.554  2576.71    222.327  3051.71    223.306  145.523 6.2965  158.403 5.8100  -12.88043      8.567444 
1 1 1 -8  -6  34 o 71.719  3.8667  626.555    67.039   625.231    91.674   628.078    98.286   71.514  5.3212  71.637  5.7016  -0.1228867     7.798950 
1 1 1 -8  -6  35 o 83.897  5.9014  860.537    119.370  656.140    195.094  982.846    150.916  72.292  11.508  89.560  7.0004  -17.26842      13.46992 
1 1 1 -8  -6  36 o 117.245 5.6891  1672.40    161.845  1940.45    261.132  1505.21    206.232  125.777 8.6082  110.836 7.7166  14.94084       11.56059 
1 1 1 -8  -6  37 o 18.282  7.7149  3.3194     58.639   -147.2707  114.010  57.485     68.377   18.934  9.0164  24.248  8.8863  -5.314013      12.65945 
1 1 1 -8  -6  38 o 54.929  4.0886  368.739    54.103   383.079    74.958   353.144    78.168   55.819  5.6105  53.497  6.1327  2.321396       8.311887 
1 1 1 -8  -6  39 o 172.524 4.4625  3620.28    186.807  3516.95    267.048  3719.29    261.410  169.804 6.4816  174.664 6.1681  -4.860504      8.947433 
1 1 1 -8  -6  40 o 134.084 3.9863  2186.50    129.693  2174.28    185.367  2198.23    181.520  133.536 5.7210  134.287 5.5709  -0.7507019     7.985283 
1 1 1 -8  -6  41 o 56.642  3.9448  392.223    53.878   325.892    76.135   458.762    76.254   51.274  6.2489  61.125  5.1905  -9.851250      8.123413 
1 1 1 -8  -6  42 o 93.645  4.0637  1067.72    92.335   976.593    144.463  1130.66    120.060  89.036  6.7368  96.123  5.1665  -7.087578      8.489861 
1 1 1 -8  -6  43 o 95.366  3.7782  1107.35    87.426   1106.63    124.487  1108.05    122.809  95.004  5.4228  95.079  5.3450  -0.7532501E-01 7.614182 
1 1 1 -8  -6  44 o 46.326  4.4862  264.281    49.796   285.350    66.910   238.122    74.553   47.913  5.8787  43.398  7.3419  4.514961       9.405438 
1 1 1 -8  -6  45 o 115.396 4.0746  1624.08    114.087  1590.88    163.017  1655.96    159.720  113.727 5.9280  116.238 5.6630  -2.511292      8.198244 
1 1 1 -8  -6  46 o 43.935  5.3994  239.985    56.348   253.382    68.058   210.785    100.477  44.947  6.4231  40.201  10.265  4.746719       12.10883 
1 1 1 -8  -6  47 o 73.639  6.2246  671.721    110.178  671.721    110.178  0.0000     0.0000   73.639  6.2246  ?       ?       0.000000       6.224590 
1 1 1 -8  -6  48 o 80.351  6.2644  799.633    121.169  799.633    121.169  0.0000     0.0000   80.351  6.2644  ?       ?       0.000000       6.264404 
1 1 1 -8  -6  49 o 39.392  6.0327  195.253    55.825   212.560    79.157   178.127    78.740   40.592  8.3165  37.010  8.8815  3.581539       12.16739 
1 1 1 -8  -6  50 o 61.327  4.4857  462.773    66.286   565.683    99.039   379.268    89.214   67.461  6.1170  54.946  6.8397  12.51468       9.176050 
1 1 1 -8  -6  51 o 121.272 4.1751  1799.59    122.856  1746.44    178.932  1846.99    168.984  118.693 6.2348  122.412 5.6893  -3.719269      8.440393 
1 1 1 -8  -6  52 o 59.535  6.9821  446.939    98.946   393.653    242.652  457.567    108.364  52.613  16.822  60.040  7.6092  -7.426807      18.46311 
1 1 1 -8  -6  53 f 11.692  5.6819  -86.7290   50.996   -12.7890   189.791  -92.4827   52.943   30.231  13.315  11.816  5.7530  18.41482       14.50443 
1 1 1 -8  -6  54 o 28.847  6.7418  107.942    46.340   94.721     67.539   119.702    63.699   27.475  8.8845  30.244  8.3873  -2.768177      12.21808 
1 1 1 -8  -6  55 o 36.237  8.0727  172.603    69.161   0.0000     0.0000   172.603    69.161   ?       ?       36.237  8.0727  0.000000       8.072690 
1 1 1 -8  -6  56 o 62.596  6.1817  493.039    92.663   0.0000     0.0000   493.039    92.663   ?       ?       62.596  6.1817  0.000000       6.181687 
1 1 1 -8  -6  57 o 14.854  6.4897  -7.2088    44.288   56.148     60.689   -79.3893   64.777   22.876  8.3736  14.244  6.7867  8.631589       10.77856 
1 1 1 -8  -6  58 o 20.015  7.3247  41.947     46.433   11.347     57.980   96.666     77.533   18.468  7.7252  28.032  9.5337  -9.564503      12.27069 
1 1 1 -8  -6  59 o 13.581  6.1156  -19.4844   42.405   -12.0218   51.952   -34.3792   73.397   15.785  6.9586  17.644  7.9862  -1.859118      10.59254 
1 1 1 -8  -6  60 o 57.098  5.7966  409.737    79.196   432.194    96.027   361.978    140.035  58.238  6.9317  51.167  11.553  7.071075       13.47278 
1 1 1 -8  -6  61 o 61.368  5.6153  472.792    82.687   554.091    98.364   276.953    152.666  66.242  6.1917  43.943  13.232  22.29925       14.60872 
1 1 1 -8  -5  1  o 571.149 11.147  39669.61   1544.86  39368.00   2188.41  39969.20   2181.14  568.287 15.871  572.640 15.698  -4.352356      22.32262 
1 1 1 -8  -5  2  o 916.705 25.209  103193.10  5607.23  101435.80  7919.04  104960.10  7940.63  903.152 36.137  919.032 35.609  -15.88080      50.73324 
1 1 1 -8  -5  3  o 165.614 5.7503  3329.71    231.075  3227.98    317.442  3444.37    337.015  163.015 8.0255  168.385 8.2486  -5.369431      11.50864 
1 1 1 -8  -5  4  o 296.152 8.8170  10656.60   633.573  10694.70   884.156  10616.39   908.350  296.470 12.291  295.355 12.675  1.114960       17.65561 
1 1 1 -8  -5  5  o 365.444 7.4105  16219.65   657.099  16361.90   930.090  16077.90   928.469  366.849 10.449  363.646 10.523  3.203156       14.82928 
1 1 1 -8  -5  6  o 291.520 6.1941  10318.06   438.135  10201.44   620.283  10434.17   618.952  289.756 8.8225  293.049 8.7047  -3.292480      12.39390 
1 1 1 -8  -5  7  o 296.042 7.1834  10643.36   515.997  10983.32   884.156  10467.76   635.435  300.452 12.128  293.509 8.9225  6.942841       15.05655 
1 1 1 -8  -5  8  o 364.699 7.4517  16153.77   659.405  15838.91   933.073  16467.93   932.007  360.923 10.655  368.036 10.437  -7.113495      14.91461 
1 1 1 -8  -5  9  o 291.890 6.2239  10344.29   440.802  10244.76   623.854  10443.52   622.923  290.371 8.8545  293.179 8.7566  -2.808136      12.45317 
1 1 1 -8  -5  10 o 167.359 4.2369  3399.25    172.054  3347.33    243.659  3450.88    242.984  166.046 6.0477  168.597 5.9397  -2.550888      8.476698 
1 1 1 -8  -5  11 o 916.469 25.534  103171.40  5678.13  99966.77   8046.76  106349.60  8013.53  896.061 37.010  925.046 35.702  -28.98511      51.42369 
1 1 1 -8  -5  12 o 575.594 16.177  40394.25   2259.25  39456.57   3211.87  41312.57   3178.53  567.361 23.331  580.746 22.557  -13.38464      32.45218 
1 1 1 -8  -5  13 o 630.967 17.600  48582.40   2694.56  48163.94   3827.79  48993.47   3793.81  626.339 25.187  631.840 24.746  -5.500427      35.30924 
1 1 1 -8  -5  14 o 297.557 9.0459  10758.30   653.112  10173.65   940.342  11303.19   907.797  289.094 13.406  304.803 12.275  -15.70923      18.17615 
1 1 1 -8  -5  15 o 512.761 10.187  31960.52   1267.49  31270.26   1793.07  32649.91   1791.94  506.675 14.585  517.777 14.263  -11.10184      20.40000 
1 1 1 -8  -5  16 o 407.518 8.1748  20173.42   808.328  20248.63   1143.82  20098.39   1142.48  408.020 11.554  406.500 11.583  1.519196       16.36002 
1 1 1 -8  -5  17 o 87.107  3.4496  920.747    72.910   935.748    103.799  906.138    102.434  87.667  4.8993  86.263  4.9143  1.403679       6.939261 
1 1 1 -8  -5  18 o 92.352  3.5760  1034.99    80.132   1097.67    113.873  973.506    112.783  94.967  4.9590  89.401  5.2219  5.565392       7.201388 
1 1 1 -8  -5  19 o 632.950 12.549  48763.25   1927.27  49448.65   2726.57  48078.85   2724.57  636.366 17.658  627.435 17.896  8.930969       25.14145 
1 1 1 -8  -5  20 o 554.732 10.985  37433.30   1478.63  36639.92   2092.24  38224.94   2089.95  548.056 15.733  559.852 15.385  -11.79553      22.00544 
1 1 1 -8  -5  21 o 513.894 10.071  32117.36   1255.78  31030.79   1777.23  33200.79   1774.66  504.464 14.519  521.894 14.014  -17.43073      20.17950 
1 1 1 -8  -5  22 o 408.860 8.2291  20317.79   816.374  20068.46   1155.91  20565.94   1153.15  405.961 11.735  410.984 11.564  -5.022888      16.47497 
1 1 1 -8  -5  23 o 437.853 8.7607  23314.93   930.747  23301.70   1317.87  23328.09   1314.69  437.198 12.423  437.452 12.386  -0.2538757     17.54265 
1 1 1 -8  -5  24 o 207.186 4.8454  5212.50    243.589  5150.91    345.983  5273.04    343.012  205.862 6.9265  208.296 6.7868  -2.433868      9.697245 
1 1 1 -8  -5  25 o 313.500 6.6221  11947.89   503.730  12218.22   714.359  11680.52   710.421  316.716 9.2957  309.647 9.4555  7.068817       13.25960 
1 1 1 -8  -5  26 o 258.272 5.9020  8108.36    369.863  8096.55    525.355  8119.97    520.807  257.828 8.3977  258.211 8.3126  -0.3828430     11.81612 
1 1 1 -8  -5  27 o 98.655  5.1126  1185.95    121.964  1342.64    160.042  968.904    188.365  104.874 6.3188  88.705  8.8706  16.16994       10.89100 
1 1 1 -8  -5  28 o 427.707 12.184  22428.46   1264.43  21545.12   1769.36  23350.38   1807.59  416.891 17.492  434.180 17.158  -17.28946      24.50208 
1 1 1 -8  -5  29 o 220.509 7.2057  5921.45    385.539  6006.91    528.089  5823.91    564.165  221.737 9.8153  218.197 10.656  3.539749       14.48761 
1 1 1 -8  -5  30 o 195.404 4.7685  4639.88    226.089  4555.13    321.925  4722.37    317.594  193.443 6.8586  196.982 6.6448  -3.539383      9.549558 
1 1 1 -8  -5  31 o 145.681 4.0198  2577.74    142.092  2586.25    202.760  2569.53    199.187  145.834 5.7300  145.367 5.6472  0.4673462      8.045112 
1 1 1 -8  -5  32 o 268.845 5.9212  8790.96    386.254  8738.90    549.306  8841.88    543.236  267.696 8.4568  269.292 8.3138  -1.595856      11.85908 
1 1 1 -8  -5  33 o 151.170 4.1230  2775.94    151.232  2807.71    215.863  2745.31    211.940  151.935 5.8554  150.240 5.8138  1.695236       8.251461 
1 1 1 -8  -5  34 o 122.925 3.9279  1835.40    117.157  1801.23    166.790  1868.67    164.600  121.698 5.6484  123.965 5.4723  -2.266701      7.864483 
1 1 1 -8  -5  35 o 168.113 6.3505  3440.07    259.045  3724.91    400.594  3235.37    339.605  174.326 9.5065  162.582 8.6397  11.74391       12.84593 
1 1 1 -8  -5  36 o 208.135 7.3297  5280.65    370.165  4928.62    558.249  5556.89    494.511  200.053 11.550  213.155 9.5613  -13.10112      14.99376 
1 1 1 -8  -5  37 o 102.715 4.2765  1282.30    106.583  1248.57    134.039  1340.30    175.765  101.149 5.4819  104.628 6.9632  -3.478912      8.862078 
1 1 1 -8  -5  38 o 125.035 3.9879  1900.14    120.986  1857.54    173.074  1940.86    169.193  123.503 5.7755  126.263 5.5226  -2.760094      7.990953 
1 1 1 -8  -5  39 o 139.612 4.1542  2370.29    140.726  2334.79    200.678  2404.64    197.396  138.389 5.9763  140.465 5.7917  -2.075684      8.322309 
1 1 1 -8  -5  40 o 117.660 3.9121  1683.73    111.688  1688.52    159.277  1679.10    156.657  117.675 5.5783  117.355 5.5015  0.3206100      7.834842 
1 1 1 -8  -5  41 f 44.855  4.5752  247.601    49.098   207.561    65.693   298.265    73.897   40.624  6.9122  48.989  6.3673  -8.365158      9.397891 
1 1 1 -8  -5  42 o 117.484 4.0606  1680.85    115.753  1626.49    165.845  1732.48    161.635  115.170 5.9550  119.074 5.5944  -3.904045      8.170671 
1 1 1 -8  -5  43 o 101.939 4.0009  1266.02    98.959   1214.08    140.766  1316.76    139.148  99.419  5.8612  103.615 5.5549  -4.196213      8.075326 
1 1 1 -8  -5  44 f 57.043  4.2682  399.083    58.648   390.218    79.743   409.526    86.556   56.114  5.9474  57.426  6.3163  -1.311565      8.675690 
1 1 1 -8  -5  45 o 50.310  4.4627  311.461    53.912   289.221    72.507   338.958    80.625   48.105  6.3685  52.107  6.5196  -4.001995      9.113846 
1 1 1 -8  -5  46 f ?       ?       -105.1567  24.896   -105.1567  24.896   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  -5  47 o 92.681  6.4427  1062.91    143.984  1062.91    143.984  0.0000     0.0000   92.681  6.4427  ?       ?       0.000000       6.442671 
1 1 1 -8  -5  48 o 34.066  6.5819  147.817    52.435   157.112    62.410   125.511    96.682   34.951  7.5777  32.081  10.644  2.869869       13.06605 
1 1 1 -8  -5  49 o 91.440  4.6253  1026.05    102.287  1060.76    134.223  977.969    157.975  92.621  6.0048  88.473  7.4276  4.147980       9.551291 
1 1 1 -8  -5  50 o 117.690 4.2022  1694.08    120.000  1771.10    173.964  1624.16    165.745  119.841 5.9826  114.615 5.9806  5.225975       8.459249 
1 1 1 -8  -5  51 o 41.308  5.3384  213.349    52.255   245.846    75.569   183.573    72.335   43.866  7.3607  37.584  8.1656  6.281979       10.99345 
1 1 1 -8  -5  52 o 28.798  8.8431  105.760    67.731   -12.4977   175.012  126.593    73.455   29.219  12.830  31.226  9.1228  -2.006956      15.74236 
1 1 1 -8  -5  53 o 57.145  7.0579  413.914    95.783   374.887    211.289  424.009    107.459  51.157  15.603  57.544  7.9051  -6.386066      17.49097 
1 1 1 -8  -5  54 o 48.499  6.8097  299.408    77.927   0.0000     0.0000   299.408    77.927   ?       ?       48.499  6.8097  0.000000       6.809740 
1 1 1 -8  -5  55 o 10.933  5.3301  -81.7206   45.877   0.0000     0.0000   -81.7206   45.877   ?       ?       10.933  5.3301  0.000000       5.330093 
1 1 1 -8  -5  56 o 51.268  4.8555  327.154    59.681   342.872    87.024   313.198    82.003   51.777  7.1148  49.480  7.0278  2.297619       10.00051 
1 1 1 -8  -5  57 o 59.018  4.5348  431.371    64.442   445.999    93.947   418.372    88.562   59.344  6.6382  57.521  6.4569  1.823158       9.260465 
1 1 1 -8  -5  58 o 19.004  7.2445  33.099     46.368   51.534     57.482   -1.2406    78.454   22.129  8.1419  20.236  8.7402  1.893347       11.94494 
1 1 1 -8  -5  59 o 13.632  6.2013  -25.5900   44.946   16.239     57.370   -92.0581   72.320   18.777  7.7548  14.884  7.1132  3.893257       10.52309 
1 1 1 -8  -5  60 o 20.780  7.8318  42.469     53.803   12.839     63.371   118.970    101.826  19.255  8.0671  31.007  10.908  -11.75201      13.56717 
1 1 1 -8  -4  1  o 743.567 14.487  67346.38   2613.72  67984.38   3698.41  66709.82   3694.29  745.605 20.443  738.533 20.616  7.072021       29.03304 
1 1 1 -8  -4  2  o 79.713  4.3280  773.441    83.397   672.964    111.101  903.127    126.221  74.189  6.2295  86.034  6.0857  -11.84461      8.708763 
1 1 1 -8  -4  3  o 475.037 13.400  27472.82   1544.48  27393.89   2169.92  27553.88   2198.81  473.541 18.885  474.887 19.082  -1.346436      26.84752 
1 1 1 -8  -4  4  o 343.318 10.169  14328.74   847.140  15233.19   1183.94  13379.90   1212.65  353.687 13.796  331.354 15.083  22.33295       20.44047 
1 1 1 -8  -4  5  o 768.377 15.033  71948.10   2802.67  71025.24   3964.92  72869.73   3962.24  761.678 21.454  771.598 21.163  -9.920288      30.13544 
1 1 1 -8  -4  6  o 611.110 11.919  45435.27   1767.36  44806.06   2500.63  46063.26   2498.22  605.984 17.007  614.477 16.756  -8.494080      23.87435 
1 1 1 -8  -4  7  o 767.842 15.035  71848.13   2801.22  70349.78   3962.65  73344.77   3960.40  758.019 21.545  774.135 21.084  -16.11633      30.14501 
1 1 1 -8  -4  8  o 323.909 6.8203  12740.22   536.030  12743.73   759.027  12736.73   757.099  323.805 9.6607  323.718 9.6388  0.8764648E-01  13.64682 
1 1 1 -8  -4  9  o 475.764 9.4567  27508.88   1091.68  27286.70   1544.76  27730.56   1542.98  473.419 13.448  477.269 13.324  -3.850189      18.93065 
1 1 1 -8  -4  10 o 89.989  3.3058  982.665    72.183   1019.74    102.660  946.416    101.513  91.544  4.6369  88.175  4.7624  3.368927       6.646899 
1 1 1 -8  -4  11 o 758.583 21.013  70402.63   3867.64  70374.01   5488.30  70430.87   5451.21  755.175 29.952  755.573 29.734  -0.3973389     42.20464 
1 1 1 -8  -4  12 o 1173.48 32.478  170396.80  9247.72  171400.09  13097.16 169399.30  13059.42 1165.21 46.324  1158.24 46.469  6.961426       65.61467 
1 1 1 -8  -4  13 o 468.624 13.337  26732.09   1516.46  26316.38   2163.37  27133.68   2126.31  464.136 19.210  471.392 18.590  -7.255219      26.73207 
1 1 1 -8  -4  14 o 367.304 10.668  16402.51   950.795  16539.09   1363.54  16273.25   1326.48  368.422 15.253  365.479 14.958  2.942596       21.36352 
1 1 1 -8  -4  15 o 481.239 9.5875  28145.22   1119.52  29073.71   1584.27  27219.14   1582.22  488.717 13.360  472.821 13.791  15.89584       19.20132 
1 1 1 -8  -4  16 o 418.667 8.5128  21294.46   864.784  21400.31   1224.05  21188.99   1221.93  419.420 12.028  417.341 12.067  2.079651       17.03747 
1 1 1 -8  -4  17 o 215.180 4.9747  5620.13    259.736  5918.95    368.232  5324.25    366.418  220.779 6.8739  209.384 7.2122  11.39449       9.963223 
1 1 1 -8  -4  18 o 336.895 7.0424  13783.26   575.680  13192.97   815.344  14370.07   812.932  329.423 10.201  343.836 9.7440  -14.41312      14.10661 
1 1 1 -8  -4  19 o 168.047 4.2668  3427.38    173.980  3450.59    247.076  3404.55    245.027  168.583 6.0402  167.455 6.0305  1.128311       8.535288 
1 1 1 -8  -4  20 o 259.094 5.7671  8150.25    362.557  8175.92    514.017  8124.85    511.458  259.405 8.1665  258.594 8.1513  0.8107910      11.53844 
1 1 1 -8  -4  21 o 284.106 6.1291  9801.56    422.511  9653.18    598.953  9948.52    596.099  281.812 8.7593  286.101 8.5869  -4.288971      12.26618 
1 1 1 -8  -4  22 o 248.248 5.6426  7483.20    339.879  7393.66    482.034  7571.73    479.302  246.645 8.0545  249.605 7.9139  -2.960175      11.29184 
1 1 1 -8  -4  23 o 171.992 4.5177  3591.22    188.535  3571.55    267.893  3610.53    265.383  171.462 6.4392  172.398 6.3442  -0.9363861     9.039459 
1 1 1 -8  -4  24 o 277.569 6.1431  9361.19    413.735  9432.35    586.946  9290.92    583.290  278.411 8.6885  276.315 8.6999  2.096191       12.29551 
1 1 1 -8  -4  25 o 112.399 3.7537  1533.77    102.373  1567.65    145.661  1500.70    143.910  113.595 5.2847  111.142 5.3364  2.453415       7.510300 
1 1 1 -8  -4  26 o 67.097  5.0709  550.119    81.947   622.340    106.331  444.478    128.600  71.273  6.2106  59.700  9.1711  11.57286       11.07608 
1 1 1 -8  -4  27 o 169.308 6.1907  3486.60    254.322  3736.33    344.214  3186.39    377.404  175.107 8.1014  161.270 9.6896  13.83618       12.63020 
1 1 1 -8  -4  28 f 124.502 5.4325  1884.56    164.113  2072.31    217.566  1636.71    249.976  130.290 6.9067  115.470 8.9930  14.82002       11.33910 
1 1 1 -8  -4  29 o 127.050 4.3358  1960.97    133.661  1906.68    220.054  1992.71    168.255  124.914 7.2920  128.025 5.4163  -3.111473      9.083495 
1 1 1 -8  -4  30 o 134.229 4.4065  2188.91    143.518  2072.68    236.739  2256.44    180.460  130.230 7.5240  136.234 5.4592  -6.003708      9.295887 
1 1 1 -8  -4  31 o 194.645 4.6751  4603.58    220.800  4642.56    314.629  4565.77    309.941  195.313 6.6390  193.695 6.5947  1.618057       9.357729 
1 1 1 -8  -4  32 o 253.880 5.6977  7838.13    350.988  7726.20    499.093  7947.66    493.695  251.749 8.1705  255.362 7.9678  -3.612625      11.41242 
1 1 1 -8  -4  33 o 103.928 3.8237  1311.81    96.424   1271.28    136.762  1351.88    135.969  102.099 5.5413  105.314 5.3384  -3.214867      7.694440 
1 1 1 -8  -4  34 o 85.132  5.5599  885.128    114.218  917.808    188.051  866.025    143.776  86.225  9.1271  84.025  7.1190  2.199799       11.57514 
1 1 1 -8  -4  35 o 171.185 6.5351  3567.91    271.444  3500.73    417.135  3617.26    357.490  168.829 10.231  172.146 8.5586  -3.316925      13.33882 
1 1 1 -8  -4  36 o 155.956 6.4899  2962.16    245.587  2308.23    380.860  3427.58    321.310  136.621 11.599  167.606 7.9008  -30.98419      14.03391 
1 1 1 -8  -4  37 o 176.179 4.5812  3773.87    195.837  3726.13    278.751  3820.40    275.193  174.861 6.5699  177.079 6.4048  -2.217712      9.175252 
1 1 1 -8  -4  38 o 49.185  4.7214  296.970    55.654   286.434    76.186   309.024    81.493   47.999  6.7262  49.857  6.9233  -1.857769      9.652685 
1 1 1 -8  -4  39 o 25.216  6.6878  80.386     41.588   61.089     55.355   105.395    63.017   23.413  8.0536  29.039  8.4400  -5.625736      11.66600 
1 1 1 -8  -4  40 o 68.127  4.1010  566.754    67.474   623.974    93.286   503.971    97.715   71.329  5.4307  63.914  6.3864  7.415668       8.383252 
1 1 1 -8  -4  41 o 40.466  5.1107  202.851    49.061   178.557    65.001   235.011    74.789   37.515  7.4038  43.181  7.4047  -5.665298      10.47118 
1 1 1 -8  -4  42 o 76.205  4.0611  709.314    74.821   704.580    104.384  714.317    107.301  75.698  5.7255  76.200  5.8480  -0.5020905     8.184184 
1 1 1 -8  -4  43 o 162.340 4.5026  3215.19    177.358  3060.37    253.897  3362.74    247.857  157.871 6.6281  165.619 6.1677  -7.748322      9.053898 
1 1 1 -8  -4  44 o 64.860  4.7584  516.635    74.363   544.139    89.363   454.706    134.094  66.422  5.5970  59.696  9.5816  6.725243       11.09657 
1 1 1 -8  -4  45 o 54.176  5.0192  362.089    65.229   347.260    78.506   395.151    117.224  52.801  6.2489  55.672  8.9837  -2.871231      10.94326 
1 1 1 -8  -4  46 o 19.052  7.4326  27.964     49.620   27.964     49.620   0.0000     0.0000   19.052  7.4326  ?       ?       0.000000       7.432552 
1 1 1 -8  -4  47 o 82.135  6.3929  835.744    126.401  835.744    126.401  0.0000     0.0000   82.135  6.3929  ?       ?       0.000000       6.392867 
1 1 1 -8  -4  48 o 65.315  4.5095  524.190    71.030   550.303    90.169   481.486    115.308  66.701  5.6238  61.778  7.8713  4.923420       9.673896 
1 1 1 -8  -4  49 f 19.614  7.0535  40.542     42.799   68.712     64.716   18.644     57.058   24.749  8.6969  19.124  7.7969  5.625273       11.68025 
1 1 1 -8  -4  50 o 81.610  4.2081  816.973    83.045   864.973    119.125  771.590    115.832  83.542  5.9150  78.826  6.1037  4.716003       8.499521 
1 1 1 -8  -4  51 o 31.232  9.0669  126.374    72.764   456.794    179.528  61.426     79.594   57.799  13.103  25.171  9.5164  32.62763       16.19447 
1 1 1 -8  -4  52 o 56.461  7.0441  403.505    94.402   493.500    207.808  380.103    105.967  59.155  14.573  54.346  8.2993  4.809704       16.77056 
1 1 1 -8  -4  53 o 105.118 4.2356  1355.95    108.033  1494.61    157.322  1232.21    148.613  109.615 5.9371  99.391  6.1931  10.22433       8.579311 
1 1 1 -8  -4  54 o 54.810  6.6878  380.718    87.096   0.0000     0.0000   380.718    87.096   ?       ?       54.810  6.6878  0.000000       6.687759 
1 1 1 -8  -4  55 o 55.650  4.6308  384.067    61.961   418.609    92.461   355.910    83.479   57.439  6.7639  52.948  6.6441  4.490826       9.481211 
1 1 1 -8  -4  56 o 33.537  7.1187  146.457    56.136   216.277    75.340   59.318     84.168   40.675  7.9186  25.146  9.7162  15.52837       12.53427 
1 1 1 -8  -4  57 o 38.135  6.1927  185.598    55.337   217.518    72.001   139.533    86.494   40.931  7.5270  32.547  9.9929  8.384640       12.51060 
1 1 1 -8  -4  58 o 33.618  6.8543  146.542    54.016   136.167    71.400   160.427    82.597   32.070  8.8748  34.651  9.5276  -2.580879      13.02060 
1 1 1 -8  -4  59 o 19.539  7.7056  29.809     53.828   33.984     63.235   18.824     102.571  21.003  8.3301  24.036  10.177  -3.032923      13.15114 
1 1 1 -8  -4  60 o 40.727  6.6720  213.482    63.650   176.707    74.331   314.566    123.236  36.395  8.5606  47.809  10.869  -11.41481      13.83572 
1 1 1 -8  -3  1  o 769.119 21.243  72389.92   3964.38  71845.82   5590.47  72940.30   5622.63  762.876 30.202  768.689 30.146  -5.813293      42.67199 
1 1 1 -8  -3  2  o 535.992 14.997  35006.50   1950.36  34710.27   2742.77  35309.50   2773.94  532.556 21.226  537.121 21.284  -4.564270      30.05911 
1 1 1 -8  -3  3  o 453.840 12.862  25070.01   1416.33  24960.67   1987.89  25182.74   2018.46  452.126 18.120  454.101 18.319  -1.974548      25.76699 
1 1 1 -8  -3  4  o 708.536 19.609  61370.39   3371.24  60907.97   4752.12  61838.90   4783.33  703.157 27.853  708.522 27.824  -5.364502      39.36926 
1 1 1 -8  -3  5  o 106.102 3.4183  1366.10    88.004   1386.50    124.851  1345.95    124.065  106.879 4.8143  105.304 4.8556  1.575218       6.837709 
1 1 1 -8  -3  6  o 105.368 3.4239  1347.27    87.539   1320.52    124.142  1373.74    123.458  104.304 4.9052  106.386 4.7827  -2.082420      6.850872 
1 1 1 -8  -3  7  o 699.982 13.644  59663.59   2317.41  58348.83   3278.59  60976.29   3276.03  690.887 19.558  706.391 19.113  -15.50360      27.34637 
1 1 1 -8  -3  8  o 442.895 10.334  23847.85   1110.49  25413.30   1913.22  23052.48   1363.73  456.341 17.279  435.190 12.915  21.15063       21.57181 
1 1 1 -8  -3  9  o 535.384 10.599  34850.89   1376.90  34348.33   1948.56  35352.08   1945.90  530.910 15.126  538.649 14.888  -7.738647      21.22421 
1 1 1 -8  -3  10 o 774.961 15.032  73177.51   2826.54  73656.91   3998.75  72698.80   3995.90  775.822 21.242  770.721 21.368  5.101563       30.12971 
1 1 1 -8  -3  11 o 469.467 13.145  26826.95   1497.34  28107.90   2137.42  25592.53   2098.24  479.797 18.360  457.739 18.892  22.05740       26.34357 
1 1 1 -8  -3  12 o 871.646 24.112  93184.13   5099.62  93093.80   7232.38  93273.43   7191.71  866.378 34.404  867.341 34.173  -0.9622192     48.49131 
1 1 1 -8  -3  13 o 1233.35 34.325  188609.80  10272.15 187092.70  14547.76 190118.30  14506.36 1214.47 49.368  1224.85 48.810  -10.38013      69.42346 
1 1 1 -8  -3  14 o 305.489 6.5367  11331.05   484.527  11659.88   686.593  11004.82   683.864  309.772 9.1347  300.933 9.3656  8.839417       13.08269 
1 1 1 -8  -3  15 o 683.451 13.287  56856.48   2203.49  56264.72   3117.73  57447.08   3114.69  678.735 18.931  685.881 18.716  -7.146179      26.62056 
1 1 1 -8  -3  16 o 378.642 7.7268  17413.33   709.893  17443.32   1005.35  17383.51   1002.54  378.754 10.939  378.105 10.928  0.6490173      15.46235 
1 1 1 -8  -3  17 o 339.111 7.1667  13965.25   589.695  13783.96   835.588  14145.14   832.330  336.730 10.227  341.124 10.056  -4.394470      14.34264 
1 1 1 -8  -3  18 o 438.276 8.7029  23339.38   925.500  23350.67   1310.51  23328.14   1307.20  438.048 12.330  437.839 12.305  0.2087097      17.41911 
1 1 1 -8  -3  19 o 692.931 13.677  58483.37   2299.60  58274.20   3253.87  58692.09   3250.38  690.306 19.426  692.802 19.336  -2.496277      27.40911 
1 1 1 -8  -3  20 o 213.701 4.9328  5543.54    255.780  5525.87    363.239  5560.90    360.235  213.299 7.0184  213.977 6.9383  -0.6777191     9.869070 
1 1 1 -8  -3  21 o 469.919 9.3415  26849.52   1065.13  27046.79   1508.23  26653.24   1504.42  471.127 13.194  467.677 13.257  3.450043       18.70381 
1 1 1 -8  -3  22 o 322.914 6.8954  12667.82   540.271  12723.08   765.671  12613.02   762.456  323.395 9.7576  321.993 9.7590  1.401917       13.80033 
1 1 1 -8  -3  23 o 151.311 4.1878  2779.33    153.754  2788.62    218.894  2770.29    216.015  151.516 5.9540  151.020 5.8950  0.4967194      8.378658 
1 1 1 -8  -3  24 o 270.400 5.9523  8883.90    390.534  8710.63    554.018  9055.04    550.594  267.537 8.5345  272.796 8.3182  -5.259003      11.91761 
1 1 1 -8  -3  25 o 358.786 7.5580  15663.66   657.971  15903.29   932.683  15426.26   928.354  360.994 10.648  355.516 10.762  5.477753       15.13936 
1 1 1 -8  -3  26 o 82.857  5.1017  837.373    102.068  969.881    132.037  640.617    160.894  89.098  6.1451  71.861  9.4573  17.23703       11.27839 
1 1 1 -8  -3  27 o 370.340 10.736  16771.74   964.744  16183.19   1344.34  17396.69   1385.29  362.315 15.292  375.690 15.197  -13.37567      21.55867 
1 1 1 -8  -3  28 o 22.962  7.5403  61.393     48.563   16.322     59.372   152.498    84.412   19.460  7.9458  34.823  9.6543  -15.36354      12.50365 
1 1 1 -8  -3  29 o 163.268 4.4300  3238.49    175.496  3144.77    249.961  3329.60    246.455  160.766 6.4079  165.442 6.1394  -4.676590      8.874315 
1 1 1 -8  -3  30 o 188.265 4.6844  4306.75    213.985  4419.00    304.535  4197.27    300.743  190.559 6.5863  185.709 6.6742  4.849915       9.376816 
1 1 1 -8  -3  31 o 225.189 5.1391  6163.75    280.798  6167.93    399.078  6159.66    395.168  225.049 7.3083  224.906 7.2413  0.1432037      10.28824 
1 1 1 -8  -3  32 f 272.174 5.9514  9010.46    393.035  8882.80    558.162  9136.03    553.539  269.873 8.5239  273.725 8.3343  -3.851501      11.92128 
1 1 1 -8  -3  33 f 128.484 3.9841  2005.17    124.206  2060.37    175.359  1949.60    175.951  130.167 5.5522  126.610 5.7274  3.556763       7.976851 
1 1 1 -8  -3  34 o 103.763 5.9646  1314.23    149.540  1468.48    242.708  1219.84    189.857  109.265 9.2412  99.716  7.9119  9.549400       12.16547 
1 1 1 -8  -3  35 o 121.206 6.2207  1792.91    182.333  1780.63    303.443  1799.85    228.105  120.132 10.516  121.237 7.7955  -1.105515      13.09032 
1 1 1 -8  -3  36 o 178.038 6.8385  3862.74    295.416  3919.15    459.532  3823.00    385.671  178.458 10.661  176.602 9.0305  1.856033       13.97174 
1 1 1 -8  -3  37 o 97.880  4.0444  1164.38    96.052   1217.70    137.488  1113.55    134.247  99.847  5.6986  95.452  5.8242  4.394989       8.148364 
1 1 1 -8  -3  38 o 65.156  4.3061  518.523    67.694   585.955    94.140   446.323    97.411   69.124  5.6625  60.096  6.8000  9.027935       8.848896 
1 1 1 -8  -3  39 o 130.026 4.1030  2056.53    129.448  2066.66    185.444  2046.91    180.779  130.167 5.8715  129.558 5.7507  0.6090546      8.218541 
1 1 1 -8  -3  40 o 175.171 4.6609  3737.79    198.105  3821.38    283.343  3657.85    277.087  176.759 6.6064  172.936 6.6034  3.822784       9.340724 
1 1 1 -8  -3  41 o 108.977 3.9570  1445.76    104.632  1473.26    148.874  1418.92    147.085  109.677 5.6130  107.623 5.6523  2.054001       7.965797 
1 1 1 -8  -3  42 o 94.976  3.9563  1098.73    91.174   1158.41    129.946  1040.86    127.955  97.183  5.5336  92.061  5.7571  5.121254       7.985307 
1 1 1 -8  -3  43 o 37.359  5.2983  174.014    46.683   188.127    61.245   154.445    72.121   38.575  6.7913  34.640  8.6162  3.934906       10.97091 
1 1 1 -8  -3  44 o 138.997 5.1024  2363.46    172.086  2499.63    209.620  2082.01    301.370  142.704 6.0539  128.734 9.7198  13.96989       11.45090 
1 1 1 -8  -3  45 o 36.823  6.7991  172.199    58.510   172.199    58.510   0.0000     0.0000   36.823  6.7991  ?       ?       0.000000       6.799094 
1 1 1 -8  -3  46 o 110.064 6.8377  1500.09    181.706  1500.09    181.706  0.0000     0.0000   110.064 6.8377  ?       ?       0.000000       6.837730 
1 1 1 -8  -3  47 o 37.994  6.1171  181.920    54.478   224.200    63.728   67.157     104.994  42.198  6.4271  27.935  10.836  14.26363       12.59826 
1 1 1 -8  -3  48 o 82.639  4.5406  838.002    90.696   856.966    118.710  811.411    140.572  83.247  5.9155  80.604  7.2656  2.642830       9.369162 
1 1 1 -8  -3  49 o 66.370  4.1256  540.532    66.111   334.216    94.939   734.757    92.115   51.229  7.8911  77.247  4.9404  -26.01781      9.310045 
1 1 1 -8  -3  50 o 20.841  7.2642  48.792     45.106   23.881     68.014   68.352     60.267   20.909  8.5172  24.332  8.4014  -3.423487      11.96355 
1 1 1 -8  -3  51 o 28.935  9.0003  106.274    69.905   216.281    177.114  85.975     76.082   41.121  14.391  27.127  9.4355  13.99391       17.20837 
1 1 1 -8  -3  52 o 61.407  7.2146  477.685    105.448  551.242    264.591  463.795    114.973  61.020  17.155  60.180  8.0776  0.8396835      18.96175 
1 1 1 -8  -3  53 o 36.706  8.1882  176.846    71.073   0.0000     0.0000   176.846    71.073   ?       ?       36.706  8.1882  0.000000       8.188167 
1 1 1 -8  -3  54 o 72.268  4.5363  645.258    79.142   672.290    117.055  622.496    107.413  73.021  6.6807  70.369  6.3596  2.651794       9.223682 
1 1 1 -8  -3  55 o 44.543  5.2557  248.732    55.708   201.753    77.942   297.797    79.653   39.091  8.4627  48.239  7.0104  -9.148788      10.98923 
1 1 1 -8  -3  56 o 58.330  4.6479  421.830    65.237   460.100    93.403   385.379    91.155   60.347  6.4803  54.993  6.9892  5.353626       9.531190 
1 1 1 -8  -3  57 o 43.668  5.7854  240.732    59.790   224.109    79.729   262.094    90.382   41.331  8.2393  44.625  8.6596  -3.293903      11.95308 
1 1 1 -8  -3  58 o 39.279  6.0722  196.385    56.006   186.557    74.917   208.835    84.323   37.560  8.4276  39.609  8.9808  -2.048893      12.31581 
1 1 1 -8  -3  59 o 53.133  6.2525  357.423    79.066   418.881    93.446   202.545    148.343  57.345  6.8515  38.712  13.187  18.63251       14.86076 
1 1 1 -8  -3  60 o 18.694  7.5385  23.002     52.674   26.355     61.117   13.319     103.862  20.028  8.1047  23.713  10.146  -3.685558      12.98591 
1 1 1 -8  -2  1  f 1042.74 28.640  134013.59  7246.33  130369.40  10230.50 137682.70  10265.30 1019.83 41.343  1048.86 40.336  -29.02563      57.76028 
1 1 1 -8  -2  2  o 409.586 11.776  20408.41   1170.35  20642.82   1638.89  20164.48   1671.86  411.403 16.418  406.538 16.949  4.864990       23.59670 
1 1 1 -8  -2  3  o 411.830 11.542  20630.87   1153.31  18730.53   1614.91  22608.99   1647.62  391.802 16.987  430.629 15.769  -38.82718      23.17767 
1 1 1 -8  -2  4  o 928.932 18.137  105377.60  4087.98  105042.00  5782.33  105713.10  5780.21  924.375 25.780  927.367 25.688  -2.991760      36.39367 
1 1 1 -8  -2  5  o 607.393 12.013  44887.94   1770.50  45704.09   2504.83  44073.05   2502.91  612.033 16.867  600.952 17.165  11.08069       24.06515 
1 1 1 -8  -2  6  o 920.676 17.943  103498.40  4008.43  103713.90  5669.66  103283.00  5667.89  918.674 25.435  916.742 25.481  1.931335       36.00280 
1 1 1 -8  -2  7  o 385.506 7.7711  18051.65   726.908  17794.39   1028.91  18308.00   1027.09  382.512 11.086  388.008 10.910  -5.495972      15.55359 
1 1 1 -8  -2  8  o 382.437 7.9079  17765.95   733.811  17810.00   1038.70  17722.06   1036.83  382.675 11.187  381.729 11.194  0.9466248      15.82552 
1 1 1 -8  -2  9  o 1034.31 20.169  130814.50  5061.75  128506.80  7159.46  133120.70  7157.34  1020.94 28.901  1039.41 28.379  -18.46338      40.50510 
1 1 1 -8  -2  10 o 502.114 14.364  30708.13   1750.04  29042.85   2494.12  32323.13   2456.18  487.199 21.098  514.259 19.684  -27.05988      28.85476 
1 1 1 -8  -2  11 o 813.145 22.404  80980.99   4420.35  82185.66   6271.15  79791.45   6231.66  815.330 31.699  803.236 31.974  12.09442       45.02423 
1 1 1 -8  -2  12 o 317.161 9.5770  12224.79   737.011  11510.38   1061.58  12889.52   1024.01  307.436 14.231  325.438 12.968  -18.00168      19.25335 
1 1 1 -8  -2  13 o 639.140 17.793  49851.54   2759.30  49894.88   3922.65  49809.09   3882.13  637.494 25.359  637.017 25.116  0.4763794      35.69213 
1 1 1 -8  -2  14 o 715.228 13.960  62286.49   2422.61  62002.86   3427.56  62569.64   3424.62  712.290 19.832  715.566 19.724  -3.276306      27.97044 
1 1 1 -8  -2  15 o 322.792 6.7197  12651.59   526.304  12509.87   745.601  12792.33   743.018  320.839 9.5776  324.449 9.4382  -3.609955      13.44652 
1 1 1 -8  -2  16 o 193.897 4.6765  4563.07    220.015  4579.95    312.087  4546.39    310.218  194.215 6.6226  193.503 6.6072  0.7125244      9.354880 
1 1 1 -8  -2  17 o 194.992 4.7833  4614.88    226.313  4858.04    321.616  4376.38    318.517  200.022 6.6267  189.840 6.9148  10.18163       9.577441 
1 1 1 -8  -2  18 o 800.417 15.783  78119.45   3065.35  78892.90   4336.87  77347.28   4333.25  802.368 22.276  794.396 22.481  7.971741       31.64824 
1 1 1 -8  -2  19 o 622.386 12.202  47146.47   1842.63  47356.92   2607.65  46936.61   2604.09  622.775 17.257  619.993 17.310  2.782227       24.44254 
1 1 1 -8  -2  20 o 403.800 8.1865  19813.04   802.103  20111.89   1136.06  19515.98   1132.64  406.521 11.517  400.438 11.657  6.083038       16.38718 
1 1 1 -8  -2  21 o 423.593 8.8365  21813.58   908.226  22173.09   1286.22  21456.06   1282.64  426.640 12.425  419.661 12.596  6.978699       17.69297 
1 1 1 -8  -2  22 o 176.902 4.5993  3799.12    197.421  3847.21    280.699  3752.05    277.714  177.961 6.5006  175.745 6.5125  2.215134       9.201680 
1 1 1 -8  -2  23 o 251.691 5.8817  7695.50    359.199  8153.54    509.735  7243.70    506.252  258.921 8.1136  244.014 8.5504  14.90691       11.78728 
1 1 1 -8  -2  24 o 211.424 5.0117  5429.29    257.099  5354.52    365.269  5502.71    361.940  209.836 7.1741  212.731 7.0120  -2.895050      10.03175 
1 1 1 -8  -2  25 o 317.995 6.8493  12300.00   528.478  12363.73   749.191  12236.88   745.584  318.401 9.6974  316.763 9.7006  1.638031       13.71642 
1 1 1 -8  -2  26 o 167.355 6.0660  3405.97    246.324  3304.22    332.308  3530.06    366.976  164.452 8.3554  169.910 8.9327  -5.457672      12.23134 
1 1 1 -8  -2  27 o 258.766 7.9791  8160.22    500.986  7673.51    689.251  8705.39    729.461  250.356 11.346  266.674 11.273  -16.31770      15.99469 
1 1 1 -8  -2  28 o 125.731 5.4170  1921.93    165.258  1882.26    218.745  1974.67    252.239  124.108 7.2960  127.007 8.2293  -2.899178      10.99786 
1 1 1 -8  -2  29 o 210.563 5.0690  5388.73    258.979  5488.65    368.048  5290.73    364.482  212.316 7.1443  208.446 7.2064  3.869659       10.14754 
1 1 1 -8  -2  30 o 242.251 5.5242  7135.13    324.711  7072.84    461.191  7196.37    457.256  240.922 7.8893  243.035 7.7540  -2.112976      11.06195 
1 1 1 -8  -2  31 o 71.687  3.8027  625.872    65.908   625.615    93.894   626.121    92.538   71.527  5.4511  71.565  5.3682  -0.3768158E-01 7.650600 
1 1 1 -8  -2  32 o 248.065 5.6098  7482.92    337.658  7347.42    480.818  7614.76    474.290  245.505 8.0716  249.968 7.8198  -4.463196      11.23830 
1 1 1 -8  -2  33 o 214.828 5.0829  5610.23    264.953  5545.88    377.970  5672.39    371.514  213.368 7.3007  215.812 7.0947  -2.444550      10.18013 
1 1 1 -8  -2  34 o 153.693 6.4317  2875.51    239.852  3049.85    379.570  2759.62    309.467  157.602 9.9773  150.134 8.5304  7.468124       13.12681 
1 1 1 -8  -2  35 o 171.176 6.8084  3569.59    282.783  3336.66    441.002  3732.24    368.518  164.571 11.109  174.806 8.6884  -10.23489      14.10310 
1 1 1 -8  -2  36 o 204.541 5.7717  5092.70    286.449  5003.32    356.766  5254.85    480.531  202.541 7.2595  207.169 9.5594  -4.628006      12.00344 
1 1 1 -8  -2  37 o 196.599 4.9964  4702.88    238.346  4663.06    340.615  4741.10    333.637  195.462 7.1819  197.124 6.9754  -1.662338      10.01176 
1 1 1 -8  -2  38 o 86.265  3.9488  904.802    82.653   852.809    116.961  956.666    116.816  83.444  5.8131  88.447  5.4701  -5.003143      7.982069 
1 1 1 -8  -2  39 o 42.090  5.1592  219.079    51.586   172.891    69.457   275.901    77.038   36.855  7.9969  47.000  6.9662  -10.14499      10.60555 
1 1 1 -8  -2  40 o 112.841 4.0673  1549.91    111.363  1606.83    158.425  1494.31    156.574  114.713 5.6918  110.450 5.8634  4.263153       8.171646 
1 1 1 -8  -2  41 o 75.802  3.9143  701.455    71.748   750.698    102.899  654.861    100.093  78.203  5.4570  72.975  5.6980  5.227768       7.889658 
1 1 1 -8  -2  42 o 71.405  3.9478  623.041    68.133   635.797    97.591   610.910    95.165   71.869  5.6417  70.445  5.6142  1.424301       7.959094 
1 1 1 -8  -2  43 o 143.241 5.0504  2508.48    175.533  2465.34    212.466  2601.24    311.548  141.734 6.1780  144.435 8.9336  -2.701080      10.86171 
1 1 1 -8  -2  44 o 77.972  5.5300  748.691    103.946  748.691    103.946  0.0000     0.0000   77.972  5.5300  ?       ?       0.000000       5.530033 
1 1 1 -8  -2  45 o 27.269  8.1793  93.438     58.420   93.438     58.420   0.0000     0.0000   27.269  8.1793  ?       ?       0.000000       8.179270 
1 1 1 -8  -2  46 o 123.083 5.5415  1858.84    165.495  1948.73    213.261  1722.74    262.397  125.407 7.0370  116.959 9.3236  8.447289       11.68111 
1 1 1 -8  -2  47 o 62.983  5.1139  489.323    77.478   358.828    94.837   751.205    134.348  53.300  7.5438  77.581  7.2198  -24.28181      10.44194 
1 1 1 -8  -2  48 o 56.857  4.5118  398.014    61.732   429.110    89.287   369.538    85.445   58.638  6.3783  54.306  6.6216  4.332378       9.193914 
1 1 1 -8  -2  49 o 92.846  4.1364  1054.23    93.186   1025.34    133.745  1081.50    129.908  90.947  6.0960  93.523  5.7526  -2.575760      8.381758 
1 1 1 -8  -2  50 o 45.141  5.2093  253.884    56.010   253.102    81.788   254.575    76.861   44.358  7.8880  44.646  7.3511  -0.2877655     10.78238 
1 1 1 -8  -2  51 o 70.013  6.8751  616.188    115.288  662.846    272.973  606.059    127.188  67.487  16.749  69.122  7.7151  -1.634308      18.44035 
1 1 1 -8  -2  52 o 57.852  8.0878  429.794    110.426  0.0000     0.0000   429.794    110.426  ?       ?       57.852  8.0878  0.000000       8.087757 
1 1 1 -8  -2  53 o 24.193  8.7775  64.109     66.473   0.0000     0.0000   64.109     66.473   ?       ?       24.193  8.7775  0.000000       8.777516 
1 1 1 -8  -2  54 o 20.922  7.4768  48.303     48.020   119.835    70.332   -14.1587   65.722   30.252  8.9520  17.745  7.8244  12.50657       11.88952 
1 1 1 -8  -2  55 o 22.238  8.9988  32.789     75.344   86.351     110.848  -13.2051   102.720  29.125  11.178  22.338  9.8181  6.787106       14.87727 
1 1 1 -8  -2  56 o 10.246  4.9690  -63.6238   38.474   -59.8843   57.817   -66.5959   51.544   13.988  6.5890  12.602  6.0178  1.386209       8.923488 
1 1 1 -8  -2  57 o 14.843  6.5404  -10.9047   45.846   -25.9273   59.816   10.486     71.376   16.134  7.2646  20.145  8.5069  -4.010258      11.18668 
1 1 1 -8  -2  58 o 48.379  5.3450  293.380    61.696   271.789    83.398   319.481    91.693   45.736  7.7945  49.639  7.8760  -3.902096      11.08084 
1 1 1 -8  -2  59 o 64.745  5.8102  526.496    90.306   546.536    107.324  477.903    167.120  65.551  6.8488  58.485  12.173  7.066330       13.96704 
1 1 1 -8  -1  1  o 439.247 12.628  23480.59   1345.90  24160.14   1884.29  22772.78   1923.08  444.926 17.454  431.826 18.354  13.09924       25.32790 
1 1 1 -8  -1  2  o 43.178  4.6625  228.924    48.072   294.089    61.394   125.658    77.286   48.941  5.2522  31.904  9.3682  17.03645       10.74001 
1 1 1 -8  -1  3  o 642.531 18.038  50413.20   2812.19  51849.40   3957.35  48948.07   3997.03  649.650 25.105  630.890 26.111  18.75928       36.22201 
1 1 1 -8  -1  4  o 567.916 11.290  39229.82   1555.77  40019.76   2199.85  38439.41   2200.52  572.898 15.825  561.413 16.154  11.48480       22.61393 
1 1 1 -8  -1  5  o 556.687 11.088  37690.43   1497.78  37022.71   2118.10  38358.24   2118.26  551.026 15.842  560.925 15.564  -9.899780      22.20800 
1 1 1 -8  -1  6  o 641.483 12.584  50081.87   1958.64  49412.91   2770.09  50750.68   2769.79  636.145 17.946  644.754 17.705  -8.609070      25.20961 
1 1 1 -8  -1  7  o 46.138  3.4263  259.744    38.084   270.837    53.921   248.703    53.796   46.993  4.7961  44.987  5.0137  2.006634       6.938279 
1 1 1 -8  -1  8  o 431.856 8.6996  22659.84   911.595  22776.73   1289.64  22543.12   1288.74  432.649 12.285  430.419 12.340  2.230316       17.41231 
1 1 1 -8  -1  9  o 152.629 4.0199  2827.11    148.872  2938.28    210.890  2716.67    210.185  155.578 5.5865  149.593 5.7907  5.985535       8.046181 
1 1 1 -8  -1  10 o 456.251 13.026  25336.47   1442.06  24877.67   2058.80  25778.36   2020.51  451.313 18.801  459.519 18.122  -8.206512      26.11229 
1 1 1 -8  -1  11 o 191.191 6.5432  4438.35    303.547  4335.34    446.859  4526.60    413.624  188.612 9.7980  193.019 8.8317  -4.406906      13.19083 
1 1 1 -8  -1  12 o 193.480 6.6601  4545.33    312.666  4179.35    459.692  4860.40    426.521  185.138 10.273  200.012 8.7886  -14.87416      13.51974 
1 1 1 -8  -1  13 f 706.271 15.882  60800.25   2721.71  61785.74   3338.09  58845.78   4700.94  711.170 19.345  691.430 28.020  19.74042       34.04924 
1 1 1 -8  -1  14 o 486.036 9.6489  28709.22   1137.91  29018.37   1610.43  28400.98   1608.07  488.230 13.594  482.993 13.721  5.237213       19.31529 
1 1 1 -8  -1  15 o 331.781 6.9465  13366.90   559.216  13253.59   792.034  13479.52   789.673  330.220 9.8850  333.029 9.7724  -2.809479      13.90012 
1 1 1 -8  -1  16 o 182.552 4.5078  4044.59    199.669  4204.34    283.194  3886.67    281.563  186.088 6.2719  178.915 6.4858  7.172943       9.022346 
1 1 1 -8  -1  17 o 487.307 9.7790  28864.19   1156.27  28509.39   1636.65  29217.74   1633.79  483.833 13.941  489.833 13.746  -5.999847      19.57840 
1 1 1 -8  -1  18 o 377.535 7.8293  17314.10   717.208  17444.87   1015.69  17184.06   1012.89  378.719 11.053  375.872 11.106  2.846130       15.66881 
1 1 1 -8  -1  19 o 105.871 3.7524  1360.26    96.394   1494.90    137.573  1230.41    135.104  110.972 5.1093  100.519 5.5609  10.45332       7.551725 
1 1 1 -8  -1  20 o 278.942 6.1061  9448.43    413.275  9368.11    586.097  9527.87    582.834  277.623 8.7006  279.988 8.5791  -2.364410      12.21890 
1 1 1 -8  -1  21 o 495.004 9.9465  29809.21   1194.66  29064.42   1691.08  30551.22   1687.92  488.068 14.280  500.470 13.900  -12.40237      19.92776 
1 1 1 -8  -1  22 o 107.178 3.6817  1394.25    95.745   1410.58    135.744  1378.08    135.066  107.780 5.1906  106.530 5.2253  1.249649       7.365210 
1 1 1 -8  -1  23 o 494.004 10.113  29731.05   1212.22  30068.72   1716.13  29394.78   1712.55  495.778 14.266  490.153 14.399  5.625671       20.26969 
1 1 1 -8  -1  24 o 116.226 3.7777  1640.04    106.536  1649.33    151.521  1630.95    149.822  116.513 5.3596  115.863 5.3293  0.6503220      7.558213 
1 1 1 -8  -1  25 o 175.155 6.3007  3730.84    267.776  3838.20    362.057  3601.20    397.855  177.493 8.4068  171.554 9.5963  5.939743       12.75790 
1 1 1 -8  -1  26 o 83.187  5.2276  844.400    104.980  1178.36    137.367  375.474    162.775  98.272  5.7864  54.271  12.603  44.00109       13.86758 
1 1 1 -8  -1  27 o 141.427 5.6308  2432.13    193.226  2329.67    257.054  2565.24    292.983  138.066 7.7038  144.807 8.3743  -6.740906      11.37880 
1 1 1 -8  -1  28 o 117.069 3.7783  1664.41    107.325  1757.45    152.240  1572.48    151.325  120.241 5.2181  113.726 5.4838  6.514870       7.569751 
1 1 1 -8  -1  29 o 354.556 7.5245  15312.08   647.330  15295.65   917.493  15328.37   913.448  353.649 10.692  354.043 10.633  -0.3936768     15.07937 
1 1 1 -8  -1  30 o 297.673 6.4188  10781.54   463.613  10987.82   657.726  10577.85   653.591  300.079 9.0333  294.406 9.1495  5.673309       12.85740 
1 1 1 -8  -1  31 o 196.969 4.9231  4715.10    235.290  4667.84    335.220  4760.99    330.334  195.798 7.0560  197.760 6.8842  -1.961151      9.857925 
1 1 1 -8  -1  32 o 106.016 4.0159  1365.22    103.304  1344.65    146.830  1385.39    145.369  104.988 5.7862  106.586 5.6410  -1.598198      8.080905 
1 1 1 -8  -1  33 o 197.739 7.0402  4762.25    337.787  5098.25    517.364  4512.60    445.956  203.848 10.495  192.170 9.5641  11.67793       14.19953 
1 1 1 -8  -1  34 f 193.934 7.0475  4582.18    331.631  4830.82    509.437  4399.33    436.874  198.321 10.625  189.462 9.5337  8.859528       14.27540 
1 1 1 -8  -1  35 o 166.993 6.7139  3397.56    272.045  3214.38    428.306  3521.44    352.218  161.497 10.996  169.570 8.5885  -8.073669      13.95226 
1 1 1 -8  -1  36 o 236.124 5.5974  6786.90    320.694  6669.50    456.900  6900.90    450.233  233.654 8.0590  237.724 7.8055  -4.069641      11.21935 
1 1 1 -8  -1  37 o 59.914  4.2489  438.680    61.367   485.826    86.690   391.323    86.884   62.891  5.7443  56.278  6.4810  6.612785       8.660311 
1 1 1 -8  -1  38 o 88.019  3.8978  942.092    83.246   947.240    119.528  937.243    116.007  87.972  5.6292  87.523  5.4904  0.4487381      7.863339 
1 1 1 -8  -1  39 o 116.177 3.9162  1642.06    110.394  1619.70    157.198  1663.82    155.065  115.212 5.6232  116.789 5.4720  -1.576347      7.846244 
1 1 1 -8  -1  40 o 193.627 4.8883  4571.93    229.661  4675.58    327.862  4472.09    321.802  195.308 6.9184  191.003 6.9436  4.304443       9.801962 
1 1 1 -8  -1  41 o 99.668  3.9116  1209.78    94.595   1239.54    134.896  1180.99    132.688  100.542 5.5510  98.122  5.5963  2.419426       7.882424 
1 1 1 -8  -1  42 f 44.454  4.4866  243.537    47.732   275.533    66.807   210.171    68.223   47.049  5.9876  40.751  7.1610  6.298466       9.334414 
1 1 1 -8  -1  43 o 160.911 6.4943  3183.25    253.561  3183.25    253.561  0.0000     0.0000   160.911 6.4943  ?       ?       0.000000       6.494286 
1 1 1 -8  -1  44 o 163.519 6.3772  3289.11    253.025  3289.11    253.025  0.0000     0.0000   163.519 6.3772  ?       ?       0.000000       6.377246 
1 1 1 -8  -1  45 o 57.335  5.3165  406.224    73.121   461.092    88.933   291.730    128.467  60.950  6.0951  47.055  11.377  13.89499       12.90684 
1 1 1 -8  -1  46 o 118.606 5.4750  1726.11    157.564  1788.07    201.567  1628.78    252.647  120.115 6.9457  113.699 9.2377  6.415901       11.55756 
1 1 1 -8  -1  47 o 84.924  4.1112  881.004    84.716   773.427    128.385  963.968    112.746  78.834  6.7777  88.485  5.2753  -9.650978      8.588655 
1 1 1 -8  -1  48 o 52.303  4.7535  337.900    59.668   299.073    85.591   374.610    83.225   48.519  7.5132  54.722  6.3882  -6.203609      9.861931 
1 1 1 -8  -1  49 o 47.604  4.9620  281.166    56.472   250.579    82.180   308.530    77.731   44.142  7.9658  49.481  6.6420  -5.338821      10.37159 
1 1 1 -8  -1  50 o 41.592  8.2966  224.709    80.792   214.047    200.396  226.778    88.285   41.684  15.222  41.587  9.0096  0.9701920E-01  17.68888 
1 1 1 -8  -1  51 o 46.961  7.9162  284.306    86.995   125.325    224.191  312.488    94.391   37.964  15.464  49.188  8.1972  -11.22452      17.50219 
1 1 1 -8  -1  52 o 99.070  5.9820  1222.79    143.123  0.0000     0.0000   1222.79    143.123  ?       ?       99.070  5.9820  0.000000       5.981979 
1 1 1 -8  -1  53 o 86.282  4.2999  914.943    90.022   979.686    128.535  852.609    126.120  88.552  6.0179  82.445  6.3536  6.106842       8.751172 
1 1 1 -8  -1  54 o 61.153  4.6112  463.206    67.918   470.142    98.624   456.950    93.670   60.899  6.7899  60.127  6.5252  0.7722282      9.417050 
1 1 1 -8  -1  55 o 56.719  4.8017  399.556    65.462   412.145    93.156   387.275    92.009   56.937  6.8827  55.112  7.0415  1.825573       9.846483 
1 1 1 -8  -1  56 o 34.040  6.9484  150.316    55.449   177.918    70.717   106.260    89.341   36.765  8.1420  29.500  10.227  7.265455       13.07202 
1 1 1 -8  -1  57 o 35.691  6.7064  164.389    55.946   95.653     73.098   261.591    86.926   27.721  9.2578  44.684  8.3237  -16.96295      12.44953 
1 1 1 -8  -1  58 o 51.824  6.5199  341.383    80.171   408.214    93.330   153.253    156.590  56.572  6.9450  35.698  13.379  20.87451       15.07448 
1 1 1 -8  -1  59 o 15.859  7.0098  -12.8359   53.065   -18.0982   59.699   6.9747     115.830  16.538  7.3657  24.513  10.604  -7.975342      12.91114 
1 1 1 -8  0   1  o 205.929 6.8025  5149.52    339.897  5102.32    464.631  5203.87    498.532  204.900 9.3455  206.906 9.9301  -2.005905      13.63619 
1 1 1 -8  0   2  o 213.310 6.9107  5525.49    357.685  5293.41    489.987  5790.25    523.344  208.687 9.6767  218.252 9.8824  -9.565216      13.83115 
1 1 1 -8  0   3  o 175.858 4.3965  3753.42    187.602  3635.65    265.325  3871.17    265.294  173.041 6.3192  178.562 6.1231  -5.521118      8.799167 
1 1 1 -8  0   4  o 546.110 10.820  36267.54   1433.70  35819.64   2027.47  36715.52   2027.64  542.070 15.415  548.839 15.226  -6.768860      21.66657 
1 1 1 -8  0   5  o 171.730 4.3412  3579.24    180.894  3634.14    255.579  3524.14    256.066  173.010 6.0882  170.369 6.1944  2.640732       8.685419 
1 1 1 -8  0   6  o 207.799 4.8086  5241.11    242.452  5126.41    342.611  5356.17    343.147  205.464 6.8723  210.021 6.7337  -4.557785      9.621383 
1 1 1 -8  0   7  o 195.834 4.6718  4654.76    221.994  4530.12    313.769  4779.67    314.125  193.150 6.6950  198.404 6.5251  -5.253143      9.348801 
1 1 1 -8  0   8  o 233.346 5.4079  6609.69    306.191  6471.40    432.997  6748.00    433.044  230.823 7.7311  235.710 7.5716  -4.886902      10.82126 
1 1 1 -8  0   9  o 88.781  4.9712  959.709    106.659  580.419    165.599  1228.60    139.431  68.339  10.307  100.437 5.7453  -32.09796      11.80030 
1 1 1 -8  0   10 o 47.017  5.0959  271.478    57.204   378.907    94.325   208.980    71.945   55.396  7.1869  40.836  7.5387  14.56033       10.41558 
1 1 1 -8  0   11 o 157.002 5.8080  2992.41    221.255  3170.87    330.473  2847.43    297.866  161.337 8.4715  152.895 8.0575  8.441879       11.69139 
1 1 1 -8  0   12 o 424.832 12.292  21957.75   1267.04  21100.64   1812.29  22777.29   1772.13  415.797 17.963  432.149 16.900  -16.35181      24.66370 
1 1 1 -8  0   13 o 464.461 9.1068  26212.05   1026.31  25953.71   1452.10  26469.91   1450.75  461.803 12.959  466.389 12.820  -4.585419      18.22869 
1 1 1 -8  0   14 o 385.047 7.8494  18007.71   733.351  17314.91   1037.84  18698.58   1036.39  377.332 11.336  392.155 10.892  -14.82291      15.72029 
1 1 1 -8  0   15 o 210.728 4.8263  5389.74    246.773  5138.63    349.599  5639.11    348.385  205.710 7.0041  215.505 6.6625  -9.794449      9.666755 
1 1 1 -8  0   16 o 77.461  3.6927  728.132    69.404   806.129    99.214   653.386    97.124   81.338  5.0521  73.158  5.5119  8.179756       7.476927 
1 1 1 -8  0   17 o 290.577 6.3823  10252.10   449.993  10075.51   637.482  10427.49   635.296  287.940 9.1243  292.937 8.9380  -4.996277      12.77265 
1 1 1 -8  0   18 o 340.802 7.0208  14105.75   580.565  14138.78   822.330  14072.93   819.762  341.021 9.9381  340.226 9.9302  0.7944641      14.04895 
1 1 1 -8  0   19 o 500.938 9.9610  30514.19   1210.74  30877.95   1713.80  30151.76   1710.69  503.345 14.032  497.368 14.175  5.977173       19.94597 
1 1 1 -8  0   20 o 37.326  4.9493  172.102    43.720   177.684    64.256   167.291    59.658   37.603  7.3058  36.502  6.9904  1.101273       10.11140 
1 1 1 -8  0   21 f 64.863  3.7922  512.395    59.424   449.010    85.430   571.810    82.712   60.518  5.8926  68.444  5.0154  -7.925140      7.737987 
1 1 1 -8  0   22 o 582.750 11.579  41403.43   1637.23  41166.73   2317.19  41639.39   2313.62  579.625 16.476  582.985 16.356  -3.359924      23.21563 
1 1 1 -8  0   23 o 50.122  4.2245  307.191    50.898   273.680    71.494   341.629    72.477   47.017  6.4358  52.713  5.7602  -5.696350      8.637106 
1 1 1 -8  0   24 o 307.517 6.5389  11499.67   487.910  11633.10   691.773  11367.59   688.258  308.939 9.2284  305.384 9.2884  3.555206       13.09344 
1 1 1 -8  0   25 o 497.304 14.201  30389.90   1713.54  30562.29   2402.87  30211.53   2444.29  495.638 19.980  492.492 20.455  3.146088       28.59371 
1 1 1 -8  0   26 o 196.613 6.6588  4704.48    317.667  4465.84    431.702  4986.30    469.124  191.278 9.3015  202.082 9.5675  -10.80348      13.34373 
1 1 1 -8  0   27 o 116.981 5.3671  1663.65    152.340  1759.63    200.433  1532.37    234.422  120.029 6.9113  111.748 8.7145  8.281075       11.12242 
1 1 1 -8  0   28 o 279.779 6.3224  9523.38    429.201  9692.54    609.118  9356.58    604.869  281.862 8.9064  276.917 9.0022  4.944824       12.66345 
1 1 1 -8  0   29 o 195.361 4.9024  4638.17    232.387  4684.48    330.220  4592.73    327.093  196.167 6.9377  194.237 6.9403  1.930832       9.813167 
1 1 1 -8  0   30 o 258.122 5.5732  8101.16    349.055  8026.90    495.712  8174.19    491.589  256.640 7.9605  259.004 7.8222  -2.363953      11.16051 
1 1 1 -8  0   31 o 117.753 4.0079  1684.18    114.511  1815.92    163.050  1555.95    160.858  122.208 5.4987  112.952 5.8897  9.256271       8.057546 
1 1 1 -8  0   32 o 15.566  6.4137  8.4269     39.123   -22.1158   53.970   42.248     56.793   15.694  6.9955  21.553  8.0615  -5.859752      10.67361 
1 1 1 -8  0   33 o 14.647  6.8511  -60.6211   60.633   -102.0110  130.924  -49.3202   68.412   22.468  10.356  16.481  7.5555  5.986269       12.81912 
1 1 1 -8  0   34 o 235.167 8.1269  6748.85    463.733  5796.73    694.380  7515.37    623.039  216.507 13.282  247.710 10.366  -31.20259      16.84826 
1 1 1 -8  0   35 o 14.685  6.6950  -34.5044   52.752   -364.4406  141.950  18.363     56.822   17.166  8.5512  19.261  7.8077  -2.095125      11.57942 
1 1 1 -8  0   36 o 167.973 4.5807  3431.34    186.696  3516.12    266.614  3349.76    261.517  169.831 6.4700  165.760 6.5021  4.070297       9.172680 
1 1 1 -8  0   37 o 27.187  6.2510  93.756     40.374   83.146     56.462   104.857    57.756   26.112  8.0832  28.840  7.9823  -2.728287      11.36023 
1 1 1 -8  0   38 o 208.241 5.1711  5284.43    261.283  5274.05    372.697  5294.46    366.402  207.555 7.4005  207.991 7.2602  -0.4365082     10.36713 
1 1 1 -8  0   39 o 87.178  3.8487  924.752    81.412   932.146    116.766  917.757    113.568  87.216  5.5465  86.554  5.4352  0.6611786      7.765629 
1 1 1 -8  0   40 o 228.911 5.5029  6402.06    305.648  6507.28    435.712  6300.13    428.872  229.970 7.8085  226.279 7.8112  3.691101       11.04480 
1 1 1 -8  0   41 o 35.653  5.2535  158.614    44.086   126.165    60.290   195.901    64.629   31.384  7.9177  39.354  7.0259  -7.970520      10.58552 
1 1 1 -8  0   42 o 105.107 4.0328  1346.86    102.851  1432.47    147.520  1265.90    143.470  108.000 5.6491  101.463 5.8525  6.537384       8.134080 
1 1 1 -8  0   43 o 105.251 5.6164  1361.70    142.914  1361.70    142.914  0.0000     0.0000   105.251 5.6164  ?       ?       0.000000       5.616359 
1 1 1 -8  0   44 o 30.324  7.5999  118.210    55.808   118.210    55.808   0.0000     0.0000   30.324  7.5999  ?       ?       0.000000       7.599881 
1 1 1 -8  0   45 o 44.734  5.9411  250.074    62.892   240.289    75.860   271.586    112.475  43.484  7.4585  45.560  10.403  -2.076176      12.80046 
1 1 1 -8  0   46 o 26.723  7.4929  91.062     50.547   78.654     58.489   127.667    100.463  25.474  8.2708  32.429  10.853  -6.955593      13.64539 
1 1 1 -8  0   47 o 29.136  7.0094  109.245    48.950   114.992    72.095   104.330    66.675   30.096  9.0996  28.750  8.7640  1.346640       12.63370 
1 1 1 -8  0   48 o 40.560  5.7625  206.522    55.117   203.256    81.410   209.286    74.892   39.510  8.7251  40.292  7.9428  -0.7819633     11.79894 
1 1 1 -8  0   49 o 71.366  4.4123  626.456    76.030   706.501    109.826  552.791    105.358  75.367  6.0568  66.442  6.6235  8.925354       8.975260 
1 1 1 -8  0   50 f 17.391  7.5992  -9.7206    60.745   166.922    181.393  -32.0322   64.467   38.216  14.385  16.564  7.4922  21.65183       16.21912 
1 1 1 -8  0   51 o 40.691  9.1916  219.083    88.609   0.0000     0.0000   219.083    88.609   ?       ?       40.691  9.1916  0.000000       9.191601 
1 1 1 -8  0   52 o 91.448  4.2272  1026.95    93.798   1049.66    132.637  1004.24    132.665  91.717  5.9930  89.643  6.1361  2.074280       8.577158 
1 1 1 -8  0   53 o 135.051 4.4704  2244.54    146.491  2176.33    209.708  2309.54    204.720  131.914 6.5518  136.105 6.1990  -4.191132      9.019618 
1 1 1 -8  0   54 o 100.137 4.2445  1232.61    103.131  1233.64    147.232  1231.62    144.505  99.301  6.1408  99.274  6.0276  0.2651978E-01  8.604707 
1 1 1 -8  0   55 f 37.420  6.2077  178.875    54.389   244.397    78.835   119.363    75.133   43.359  7.7791  30.276  9.3165  13.08307       12.13724 
1 1 1 -8  0   56 o 55.738  5.0231  386.741    67.204   428.383    88.030   328.566    104.049  58.269  6.3280  49.992  8.9041  8.277016       10.92372 
1 1 1 -8  0   57 o 24.536  7.7763  75.839     51.939   47.012     66.187   122.045    83.795   22.478  8.6346  30.724  9.8921  -8.245897      13.13052 
1 1 1 -8  0   58 f 26.739  8.6031  90.977     63.389   76.224     70.576   152.544    144.172  25.546  9.0713  35.086  12.897  -9.540073      15.76737 
1 1 1 -8  1   1  o 43.048  4.7797  227.698    49.082   300.686    62.577   111.005    79.124   49.488  5.2934  30.449  9.5924  19.03954       10.95606 
1 1 1 -8  1   2  f 642.904 12.641  50305.36   1971.87  49785.52   2787.60  50825.98   2789.70  638.530 17.992  645.207 17.819  -6.677490      25.32299 
1 1 1 -8  1   3  o 564.855 11.274  38807.78   1545.18  38382.89   2184.58  39233.18   2185.86  561.020 16.048  567.231 15.882  -6.210327      22.57818 
1 1 1 -8  1   4  o 552.469 11.006  37120.03   1475.35  37596.46   2086.33  36643.48   2086.59  555.342 15.483  548.224 15.686  7.118225       22.04041 
1 1 1 -8  1   5  o 636.210 12.517  49260.13   1932.25  49605.01   2732.61  48915.25   2732.62  637.444 17.667  632.969 17.792  4.475281       25.07393 
1 1 1 -8  1   6  o 44.875  3.4018  245.771    36.766   261.559    51.943   229.922    52.046   46.183  4.7009  43.228  5.0576  2.955200       6.904889 
1 1 1 -8  1   7  o 422.283 8.5457  21665.24   875.618  20595.86   1238.21  22734.97   1238.41  411.403 12.404  432.301 11.806  -20.89801      17.12452 
1 1 1 -8  1   8  o 157.919 4.0330  3026.50    154.535  2948.46    218.489  3104.62    218.602  155.844 5.7780  159.921 5.6336  -4.076401      8.069836 
1 1 1 -8  1   9  o 450.241 12.963  24672.57   1416.20  23635.83   2022.33  25670.21   1983.84  439.881 18.948  458.600 17.828  -18.71893      26.01645 
1 1 1 -8  1   10 o 193.100 6.5003  4527.34    304.565  4919.90    449.130  4193.14    414.402  201.217 9.1991  185.762 9.1939  15.45515       13.00580 
1 1 1 -8  1   11 o 191.333 6.7080  4445.05    311.419  3867.68    459.303  4936.33    423.678  178.042 10.681  201.572 8.6625  -23.53058      13.75242 
1 1 1 -8  1   12 o 712.475 13.840  61803.77   2392.54  61936.75   3383.76  61670.80   3383.36  711.976 19.587  710.436 19.627  1.540466       27.72874 
1 1 1 -8  1   13 o 485.723 9.6391  28672.18   1136.02  28953.94   1606.90  28390.65   1606.26  487.690 13.579  482.907 13.708  4.782898       19.29565 
1 1 1 -8  1   14 o 329.964 6.9225  13220.80   554.232  13134.76   784.154  13306.69   783.451  328.739 9.8307  330.888 9.7581  -2.148895      13.85151 
1 1 1 -8  1   15 o 185.571 4.5522  4179.50    204.973  4032.49    290.332  4325.59    289.422  182.239 6.5658  188.751 6.3194  -6.512604      9.112913 
1 1 1 -8  1   16 o 482.998 9.7064  28355.17   1137.54  28167.41   1609.65  28542.50   1607.81  480.941 13.793  484.147 13.687  -3.205597      19.43146 
1 1 1 -8  1   17 o 375.341 7.8098  17113.42   711.265  17026.22   1006.87  17200.28   1004.90  374.143 11.091  376.057 11.013  -1.914246      15.62994 
1 1 1 -8  1   18 o 109.248 3.7843  1448.44    100.315  1603.72    142.977  1297.88    140.783  114.940 5.1266  103.240 5.6414  11.69960       7.622807 
1 1 1 -8  1   19 o 274.253 6.0067  9133.16    399.714  9030.46    566.622  9234.90    563.948  272.582 8.5671  275.658 8.4315  -3.076080      12.02019 
1 1 1 -8  1   20 o 493.695 9.8721  29650.49   1182.58  30056.93   1673.94  29245.52   1670.90  496.405 13.898  489.627 14.064  6.777954       19.77245 
1 1 1 -8  1   21 o 113.262 3.7230  1557.06    102.317  1569.33    145.999  1545.22    143.431  113.681 5.2930  112.805 5.2402  0.8756256      7.448176 
1 1 1 -8  1   22 o 492.314 10.133  29528.57   1210.43  29601.22   1713.71  29456.25   1709.91  491.882 14.359  490.675 14.362  1.206879       20.30853 
1 1 1 -8  1   23 o 113.994 3.7804  1577.63    104.564  1564.95    149.216  1589.87    146.572  113.492 5.4186  114.396 5.2805  -0.9043427     7.566049 
1 1 1 -8  1   24 o 171.043 6.2082  3557.50    257.653  3564.23    347.787  3549.31    383.592  171.044 8.3800  170.351 9.3156  0.6924438      12.53010 
1 1 1 -8  1   25 o 92.051  5.3385  1033.42    118.726  1335.31    155.634  613.193    183.623  104.597 6.1595  69.946  11.197  34.65051       12.77935 
1 1 1 -8  1   26 o 133.337 5.5483  2161.69    179.503  2010.21    237.746  2362.53    273.755  128.224 7.6769  138.979 8.1537  -10.75563      11.19896 
1 1 1 -8  1   27 o 117.838 5.3150  1688.02    151.969  1582.38    199.663  1833.48    234.302  113.762 7.2713  122.406 7.9314  -8.643845      10.76010 
1 1 1 -8  1   28 o 356.740 7.5250  15501.42   651.359  15466.63   923.452  15535.87   918.887  355.616 10.702  356.432 10.625  -0.8157043     15.08051 
1 1 1 -8  1   29 o 301.648 6.4500  11071.73   472.089  11074.18   669.640  11069.32   665.648  301.230 9.1618  301.174 9.1088  0.5584717E-01  12.91932 
1 1 1 -8  1   30 o 180.637 4.6644  3964.89    204.438  4030.28    291.056  3901.22    287.221  181.977 6.5917  179.038 6.6116  2.939117       9.336130 
1 1 1 -8  1   31 o 103.857 3.8729  1310.08    97.597   1342.01    139.998  1279.88    136.130  104.910 5.5191  102.449 5.4963  2.461700       7.789098 
1 1 1 -8  1   32 o 188.308 6.8427  4317.93    312.653  4462.36    479.097  4210.79    412.627  190.697 10.393  185.687 9.1582  5.010223       13.85265 
1 1 1 -8  1   33 o 189.298 6.9163  4365.03    317.673  4421.97    487.645  4323.06    418.708  189.715 10.636  188.096 9.1742  1.618973       14.04626 
1 1 1 -8  1   34 o 170.573 6.6329  3544.44    274.521  3531.14    431.187  3553.51    355.992  169.404 10.542  170.332 8.6418  -0.9278564     13.63163 
1 1 1 -8  1   35 o 224.130 5.3893  6113.40    293.087  6238.75    417.315  5991.39    411.717  226.067 7.6078  221.531 7.6595  4.536362       10.79571 
1 1 1 -8  1   36 o 62.584  4.1667  478.334    62.912   477.068    89.615   479.564    88.342   62.281  6.0045  62.460  5.8990  -0.1786270     8.417358 
1 1 1 -8  1   37 o 91.282  3.9352  1013.29    87.159   1031.90    124.012  995.130    122.525  91.839  5.5918  90.177  5.6278  1.662048       7.933483 
1 1 1 -8  1   38 o 116.362 3.9599  1647.39    111.804  1475.47    159.197  1814.71    157.055  109.759 6.0004  121.989 5.3060  -12.23038      8.009876 
1 1 1 -8  1   39 o 189.796 4.8743  4392.69    224.471  4436.88    320.109  4349.93    314.856  190.251 6.9344  188.391 6.8879  1.860474       9.773884 
1 1 1 -8  1   40 o 99.158  3.9544  1197.56    95.141   1235.73    135.772  1160.73    133.361  100.377 5.5968  97.259  5.6758  3.118431       7.971157 
1 1 1 -8  1   41 o 40.841  4.7924  206.420    46.588   196.263    66.941   215.961    64.878   39.322  7.2842  41.424  6.6822  -2.101402      9.884904 
1 1 1 -8  1   42 f 159.488 6.5139  3127.49    252.076  3127.49    252.076  0.0000     0.0000   159.488 6.5139  ?       ?       0.000000       6.513894 
1 1 1 -8  1   43 o 158.903 6.4846  3107.59    250.023  3107.59    250.023  0.0000     0.0000   158.903 6.4846  ?       ?       0.000000       6.484609 
1 1 1 -8  1   44 o 57.361  5.4497  406.979    74.939   389.375    91.357   443.190    131.021  55.773  6.8978  58.814  9.5053  -3.041058      11.74437 
1 1 1 -8  1   45 o 115.934 5.4832  1649.30    154.243  1675.53    196.105  1606.74    249.765  116.246 6.9850  112.940 9.1941  3.306038       11.54648 
1 1 1 -8  1   46 f 88.640  4.2444  960.246    91.287   935.022    139.324  979.222    120.840  86.763  6.6691  89.098  5.6183  -2.335243      8.720231 
1 1 1 -8  1   47 o 53.885  4.7236  358.411    61.137   319.497    89.203   392.882    83.957   50.166  7.5633  56.085  6.2770  -5.919106      9.828761 
1 1 1 -8  1   48 o 50.030  5.1303  310.707    61.397   314.906    89.549   306.982    84.343   49.700  7.6727  49.171  7.2901  0.5294533      10.58377 
1 1 1 -8  1   49 o 48.596  6.8003  298.969    77.989   621.252    220.092  252.693    83.400   67.091  13.974  44.234  8.0677  22.85735       16.13550 
1 1 1 -8  1   50 o 54.591  8.1724  383.241    104.922  0.0000     0.0000   383.241    104.922  ?       ?       54.591  8.1724  0.000000       8.172372 
1 1 1 -8  1   51 f 87.001  7.4980  958.390    156.737  0.0000     0.0000   958.390    156.737  ?       ?       87.001  7.4980  0.000000       7.498022 
1 1 1 -8  1   52 o 82.544  4.1665  838.792    83.179   783.763    114.715  899.801    120.786  79.160  6.0175  84.894  5.9004  -5.734428      8.427608 
1 1 1 -8  1   53 o 60.114  4.5086  447.304    65.284   474.148    90.120   417.662    94.701   61.399  6.1311  57.297  6.9543  4.101799       9.271049 
1 1 1 -8  1   54 o 57.925  4.7643  416.493    66.368   462.651    92.432   367.371    95.354   60.548  6.3880  53.459  7.5621  7.089207       9.899118 
1 1 1 -8  1   55 o 38.470  6.5087  189.658    58.589   150.049    76.942   244.316    90.385   33.590  9.1791  42.941  8.9643  -9.350784      12.83021 
1 1 1 -8  1   56 o 16.799  7.0451  7.9324     48.412   -21.3025   62.051   53.409     77.392   16.753  7.4819  24.082  9.3135  -7.328678      11.94656 
1 1 1 -8  1   57 o 49.034  6.5537  306.259    76.023   307.582    85.154   301.066    168.747  48.825  7.4214  45.789  13.939  3.036366       15.79146 
1 1 1 -8  1   58 o 31.877  8.4355  135.513    66.261   147.163    73.712   86.466     151.238  33.117  8.9572  31.341  12.726  1.775593       15.56232 
1 1 1 -8  2   1  o 411.228 8.2797  20544.20   826.154  20289.29   1167.63  20799.75   1169.09  408.384 11.783  413.502 11.652  -5.118011      16.57172 
1 1 1 -8  2   2  o 923.082 18.036  104046.40  4039.61  105075.90  5712.21  103016.40  5713.55  924.680 25.459  915.452 25.722  9.228271       36.19126 
1 1 1 -8  2   3  o 613.294 12.121  45766.57   1803.68  45740.80   2550.02  45792.36   2551.56  612.218 17.166  612.563 17.167  -0.3448486     24.27715 
1 1 1 -8  2   4  o 927.068 18.068  104949.60  4064.40  102460.80  5747.32  107439.40  5748.55  912.874 25.947  935.078 25.336  -22.20410      36.26561 
1 1 1 -8  2   5  o 395.672 7.9013  19016.98   758.573  18428.11   1072.53  19606.42   1073.04  389.240 11.356  401.522 11.014  -12.28186      15.81981 
1 1 1 -8  2   6  o 382.509 7.9287  17772.77   735.880  17545.89   1040.64  17999.68   1040.74  379.819 11.292  384.711 11.149  -4.892395      15.86848 
1 1 1 -8  2   7  o 1041.52 20.185  132645.30  5101.05  133028.30  7213.96  132262.20  7213.98  1038.91 28.617  1035.87 28.702  3.043457       40.53078 
1 1 1 -8  2   8  o 518.271 14.605  32720.63   1836.65  32618.18   2616.90  32820.09   2578.36  516.361 20.887  518.033 20.513  -1.671997      29.27496 
1 1 1 -8  2   9  o 804.559 22.005  79253.70   4295.88  82593.52   6095.11  75956.96   6055.65  817.817 30.716  783.757 31.843  34.05920       44.24299 
1 1 1 -8  2   10 o 307.470 9.3161  11488.00   695.022  10980.16   1001.89  11959.12   964.970  300.309 13.749  313.493 12.686  -13.18390      18.70777 
1 1 1 -8  2   11 o 635.675 17.440  49301.28   2689.97  52021.95   3824.51  46637.69   3784.18  651.283 24.201  616.349 25.304  34.93396       35.01400 
1 1 1 -8  2   12 o 715.057 16.122  62331.79   2797.15  62015.41   4830.43  62491.40   3430.91  709.787 28.047  715.104 19.773  -5.317261      34.31673 
1 1 1 -8  2   13 o 331.242 6.8998  13323.29   554.556  12943.58   784.322  13702.87   784.198  326.334 9.9053  335.786 9.6250  -9.452454      13.81141 
1 1 1 -8  2   14 o 215.183 5.0121  5620.26    261.692  5501.81    370.175  5738.60    370.003  212.850 7.1675  217.387 7.0147  -4.536636      10.02890 
1 1 1 -8  2   15 o 194.914 4.8179  4611.24    227.860  4289.71    322.375  4932.23    322.110  187.947 7.0691  201.545 6.5867  -13.59753      9.662115 
1 1 1 -8  2   16 o 800.103 15.708  78054.70   3049.45  78043.68   4313.09  78065.73   4312.05  798.036 22.274  798.152 22.266  -0.1158447     31.49438 
1 1 1 -8  2   17 o 627.038 12.255  47855.40   1864.54  46879.39   2637.61  48830.28   2636.09  619.559 17.545  632.406 17.179  -12.84656      24.55534 
1 1 1 -8  2   18 o 408.408 8.2878  20268.61   821.289  20219.28   1162.43  20317.77   1160.53  407.578 11.754  408.574 11.706  -0.9967957     16.58912 
1 1 1 -8  2   19 o 422.534 8.7624  21703.90   898.353  21342.68   1271.59  22063.84   1269.34  418.561 12.521  425.606 12.292  -7.044678      17.54555 
1 1 1 -8  2   20 o 177.988 4.5643  3845.84    197.119  3818.74    279.929  3872.49    277.621  177.301 6.5069  178.548 6.4082  -1.246872      9.132593 
1 1 1 -8  2   21 o 253.899 5.9011  7831.18    363.543  7797.57    515.333  7864.47    512.930  253.184 8.3885  254.274 8.3136  -1.089859      11.81035 
1 1 1 -8  2   22 o 212.623 5.0484  5491.15    260.454  5463.94    369.646  5517.99    367.043  211.968 7.1871  213.020 7.1012  -1.051910      10.10350 
1 1 1 -8  2   23 o 317.842 6.8861  12288.56   531.070  11900.84   752.876  12672.54   749.230  312.344 9.9341  322.373 9.5784  -10.02969      13.79967 
1 1 1 -8  2   24 o 153.006 7.9381  2859.35    293.692  2859.35    293.692  0.0000     0.0000   153.006 7.9381  ?       ?       0.000000       7.938058 
1 1 1 -8  2   25 o 263.095 8.2051  8437.82    523.797  8354.88    721.165  8530.42    762.045  261.227 11.378  263.843 11.903  -2.616333      16.46638 
1 1 1 -8  2   26 o 118.096 5.3996  1695.58    154.725  1707.37    202.587  1679.09    239.693  118.205 7.0962  117.035 8.4986  1.170044       11.07167 
1 1 1 -8  2   27 o 206.103 5.0392  5162.79    252.003  5159.01    358.277  5166.49    354.525  205.837 7.1735  205.995 7.0929  -0.1574554     10.08805 
1 1 1 -8  2   28 o 240.644 5.5579  7041.00    324.527  6997.88    460.996  7083.37    456.931  239.635 7.9284  241.110 7.8104  -1.475250      11.12926 
1 1 1 -8  2   29 o 78.590  3.7551  750.079    71.606   693.463    102.311  804.440    100.253  75.308  5.6400  81.193  5.1150  -5.884644      7.613990 
1 1 1 -8  2   30 o 245.260 5.5852  7314.56    332.373  7472.81    472.664  7159.76    467.472  247.619 7.8669  242.365 7.9492  5.253769       11.18381 
1 1 1 -8  2   31 o 214.916 5.1014  5614.88    266.025  5918.21    378.742  5319.52    373.740  220.440 7.0809  208.959 7.3713  11.48091       10.22134 
1 1 1 -8  2   32 o 151.336 6.1546  2787.21    225.998  3309.43    358.309  2442.20    291.236  164.371 9.0184  141.204 8.5405  23.16647       12.42060 
1 1 1 -8  2   33 o 166.193 6.5262  3363.67    263.171  3451.91    411.602  3302.65    342.275  167.604 10.169  164.224 8.6197  3.379700       13.33091 
1 1 1 -8  2   34 o 198.096 7.2667  4786.22    349.282  4370.52    533.843  5097.37    461.858  188.144 11.753  204.085 9.3268  -15.94034      15.00389 
1 1 1 -8  2   35 o 193.121 4.9156  4537.53    230.338  4763.67    328.310  4318.32    323.245  197.613 6.8471  188.113 7.0819  9.499802       9.850668 
1 1 1 -8  2   36 o 76.342  3.9530  710.515    72.973   752.108    104.008  670.192    102.409  78.379  5.5038  73.932  5.7541  4.446678       7.962519 
1 1 1 -8  2   37 o 38.631  4.9600  184.756    45.418   187.161    63.827   182.290    64.642   38.519  7.0903  37.971  7.2811  0.5483780      10.16301 
1 1 1 -8  2   38 o 112.257 3.9882  1533.72    108.630  1510.17    155.454  1556.20    151.862  111.048 5.7894  112.910 5.5431  -1.861366      8.015179 
1 1 1 -8  2   39 o 81.185  3.9001  802.488    76.828   841.994    109.960  764.809    107.388  82.835  5.5022  78.905  5.6463  3.929832       7.883864 
1 1 1 -8  2   40 o 68.085  3.9967  566.739    65.738   573.579    93.800   560.136    92.156   68.225  5.7190  67.421  5.6864  0.8036652      8.064871 
1 1 1 -8  2   41 o 149.767 6.3390  2754.47    230.357  2754.47    230.357  0.0000     0.0000   149.767 6.3390  ?       ?       0.000000       6.339005 
1 1 1 -8  2   42 o 75.868  6.6111  713.580    120.485  713.580    120.485  0.0000     0.0000   75.868  6.6111  ?       ?       0.000000       6.611140 
1 1 1 -8  2   43 o 30.720  5.7595  119.497    41.354   128.317    58.495   110.686    58.470   31.575  7.7034  29.390  7.9895  2.185371       11.09836 
1 1 1 -8  2   44 o 122.457 5.6831  1841.15    168.863  1980.15    216.126  1623.33    270.555  126.398 7.0754  113.222 9.9493  13.17661       12.20856 
1 1 1 -8  2   45 o 54.212  5.4987  364.376    71.329   373.856    85.554   342.761    129.181  54.673  6.5814  51.127  10.754  3.545864       12.60816 
1 1 1 -8  2   46 f 40.348  5.4883  203.574    52.337   260.551    84.293   167.829    66.765   45.110  7.9938  36.056  7.8538  9.053791       11.20635 
1 1 1 -8  2   47 o 94.357  4.2261  1089.26    96.757   1068.80    138.401  1108.81    135.322  92.833  6.1796  94.645  5.9224  -1.811966      8.559357 
1 1 1 -8  2   48 o 49.165  5.1880  300.537    60.955   352.251    89.369   255.552    83.353   52.736  7.1701  44.538  8.0073  8.197277       10.74841 
1 1 1 -8  2   49 o 75.670  7.5433  723.815    136.652  0.0000     0.0000   723.815    136.652  ?       ?       75.670  7.5433  0.000000       7.543254 
1 1 1 -8  2   50 o 118.406 7.9065  1775.03    225.850  0.0000     0.0000   1775.03    225.850  ?       ?       118.406 7.9065  0.000000       7.906533 
1 1 1 -8  2   51 o 29.585  6.2891  112.968    43.756   64.623     56.996   182.352    68.281   23.541  8.1679  37.366  7.7838  -13.82522      11.28283 
1 1 1 -8  2   52 o 31.051  5.9487  123.705    43.187   112.381    57.275   138.629    65.751   29.277  7.8859  32.397  8.3207  -3.119810      11.46391 
1 1 1 -8  2   53 o 22.256  6.7518  62.697     39.643   112.848    50.497   -17.8612   64.000   29.386  7.1502  17.256  7.6593  12.12938       10.47802 
1 1 1 -8  2   54 o 20.766  6.6682  53.036     38.096   44.195     48.406   67.422     61.748   20.474  7.4808  24.141  8.4943  -3.667940      11.31884 
1 1 1 -8  2   55 o 16.632  7.0534  4.1426     49.407   -76.9751   62.692   137.098    80.262   14.020  6.6789  32.216  9.5700  -18.19650      11.67012 
1 1 1 -8  2   56 o 44.261  6.0373  248.348    63.146   240.199    81.118   260.881    100.598  42.822  8.1039  44.077  9.6718  -1.255779      12.61808 
1 1 1 -8  2   57 o 67.066  6.0866  566.537    97.968   607.816    113.128  442.737    195.915  69.163  6.8304  54.803  14.506  14.36002       16.03381 
1 1 1 -8  3   1  o 692.474 13.438  58383.87   2257.91  58523.85   3191.86  58243.65   3194.47  692.070 19.008  690.396 19.069  1.674744       26.92460 
1 1 1 -8  3   2  o 103.609 3.4439  1302.67    86.578   1354.88    122.096  1249.86    122.787  105.654 4.7627  101.475 4.9869  4.179268       6.895839 
1 1 1 -8  3   3  o 114.261 3.6067  1584.33    99.995   1619.03    141.049  1549.27    141.781  115.492 5.0333  112.975 5.1722  2.516991       7.217052 
1 1 1 -8  3   4  o 703.199 13.772  60217.28   2349.85  60652.03   3322.58  59782.20   3323.80  704.425 19.439  699.316 19.588  5.109436       27.59677 
1 1 1 -8  3   5  o 435.452 8.8885  23040.43   939.149  23085.69   1327.71  22995.12   1328.61  435.542 12.563  434.683 12.597  0.8587646      17.79098 
1 1 1 -8  3   6  o 548.208 10.796  36543.41   1436.11  36313.16   2030.75  36773.77   2031.18  545.851 15.333  549.317 15.239  -3.466125      21.61765 
1 1 1 -8  3   7  o 777.996 21.445  74082.51   4048.25  75344.73   5745.28  72837.88   5705.11  781.185 30.311  767.943 30.618  13.24146       43.08322 
1 1 1 -8  3   8  o 470.547 13.147  26950.64   1501.00  28496.21   2142.87  25461.81   2103.16  483.112 18.280  456.553 18.985  26.55939       26.35549 
1 1 1 -8  3   9  o 864.206 23.998  91591.30   5032.28  90365.34   7137.12  92803.33   7096.48  853.554 34.461  865.352 33.798  -11.79840      48.26844 
1 1 1 -8  3   10 o 1196.26 32.909  177131.50  9552.15  181939.50  13529.39 172352.59  13488.26 1200.63 46.441  1167.41 47.618  33.22070       66.51496 
1 1 1 -8  3   11 o 308.661 6.6004  11567.75   494.331  11634.29   699.237  11501.27   698.942  309.422 9.3134  307.646 9.3632  1.776611       13.20643 
1 1 1 -8  3   12 o 675.467 13.233  55534.57   2168.90  54038.43   3067.43  57030.43   3067.14  665.152 19.006  683.440 18.496  -18.28766      26.52008 
1 1 1 -8  3   13 o 371.649 7.6578  16775.72   690.560  16493.37   976.593  17058.08   976.605  368.296 10.928  374.562 10.746  -6.265900      15.32629 
1 1 1 -8  3   14 o 339.019 7.1935  13957.82   591.735  13943.67   836.818  13971.96   836.863  338.677 10.183  339.021 10.173  -0.3439331     14.39418 
1 1 1 -8  3   15 o 442.526 8.8095  23795.09   945.914  23792.35   1337.87  23797.83   1337.58  442.155 12.470  442.206 12.466  -0.5139160E-01 17.63267 
1 1 1 -8  3   16 o 696.098 13.743  59021.63   2321.30  59206.18   3283.05  58837.13   3282.57  695.796 19.446  693.607 19.505  2.188599       27.54229 
1 1 1 -8  3   17 o 212.555 4.9449  5484.29    255.031  5560.81    360.811  5407.89    360.527  213.975 6.9495  211.009 7.0416  2.965714       9.893433 
1 1 1 -8  3   18 o 467.920 9.2799  26620.83   1053.61  26181.60   1490.43  27059.58   1489.61  463.520 13.252  471.263 13.027  -7.742920      18.58275 
1 1 1 -8  3   19 o 317.774 6.8711  12267.65   529.797  12225.42   749.880  12309.73   748.613  317.008 9.7490  318.103 9.6990  -1.095612      13.75180 
1 1 1 -8  3   20 o 149.476 4.2117  2712.34    152.754  2630.21    216.579  2793.65    215.478  147.146 6.0660  151.656 5.8557  -4.509491      8.431232 
1 1 1 -8  3   21 o 268.825 5.9167  8780.58    385.937  8726.46    546.720  8834.33    544.878  267.792 8.4140  269.449 8.3341  -1.657684      11.84285 
1 1 1 -8  3   22 o 356.828 7.5167  15492.68   650.806  15408.68   921.663  15576.22   919.099  355.327 10.690  357.271 10.602  -1.943787      15.05612 
1 1 1 -8  3   23 o 79.559  5.2451  772.542    100.684  884.676    128.351  593.148    162.343  85.062  6.2627  69.010  9.9855  16.05202       11.78690 
1 1 1 -8  3   24 o 366.239 10.616  16399.74   943.385  15569.47   1312.50  17287.15   1356.90  355.399 15.220  374.603 14.928  -19.20386      21.31927 
1 1 1 -8  3   25 o 14.359  6.3771  -16.6585   44.427   -24.3119   54.016   -0.6558    78.107   15.559  6.9623  20.760  8.8385  -5.200823      11.25133 
1 1 1 -8  3   26 o 170.328 5.1049  3526.28    210.979  3862.27    351.993  3337.89    263.571  178.002 8.1498  165.616 6.5589  12.38618       10.46127 
1 1 1 -8  3   27 o 185.432 4.6926  4178.12    211.136  4327.54    300.453  4032.33    296.763  188.577 6.5663  182.018 6.7194  6.558868       9.395061 
1 1 1 -8  3   28 o 220.859 5.1865  5929.23    277.939  5905.83    394.933  5952.20    391.222  220.204 7.3915  221.079 7.2931  -0.8741608     10.38384 
1 1 1 -8  3   29 o 275.264 6.0715  9217.32    405.515  9409.35    576.315  9029.02    570.696  277.750 8.5515  272.062 8.6451  5.687225       12.16005 
1 1 1 -8  3   30 f 128.703 4.0652  2012.13    126.952  2133.46    182.239  1897.73    176.952  132.448 5.6706  124.908 5.8385  7.540337       8.139060 
1 1 1 -8  3   31 o 93.099  5.7917  1058.41    130.185  1265.11    232.833  964.401    157.024  101.302 9.5864  88.664  7.3655  12.63816       12.08925 
1 1 1 -8  3   32 o 109.428 5.8494  1461.18    154.751  1373.53    261.856  1508.22    191.834  105.419 10.371  111.024 7.1592  -5.604698      12.60238 
1 1 1 -8  3   33 o 170.499 6.5941  3541.49    272.799  3603.68    427.068  3498.62    354.563  171.172 10.331  168.991 8.6763  2.181366       13.49096 
1 1 1 -8  3   34 o 93.339  3.9701  1058.79    89.914   1162.45    129.442  962.141    124.989  97.572  5.4898  88.698  5.8403  8.873909       8.015387 
1 1 1 -8  3   35 o 65.678  4.1238  526.536    65.384   653.247    92.688   401.028    92.247   73.060  5.2638  56.923  6.8143  16.13691       8.610581 
1 1 1 -8  3   36 o 130.825 4.0941  2081.88    129.960  2055.50    185.836  2107.12    181.813  129.811 5.9000  131.455 5.7001  -1.643661      8.203770 
1 1 1 -8  3   37 o 173.846 4.6641  3681.53    196.743  3653.42    280.274  3708.83    276.243  172.812 6.6841  174.149 6.5374  -1.337051      9.349605 
1 1 1 -8  3   38 f 105.368 3.9399  1351.56    100.729  1311.55    144.543  1389.34    140.451  103.435 5.7824  106.527 5.4520  -3.092239      7.947354 
1 1 1 -8  3   39 o 86.874  3.9359  919.253    82.965   894.769    119.147  942.299    115.595  85.322  5.7894  87.630  5.4637  -2.307869      7.960495 
1 1 1 -8  3   40 o 27.913  7.8893  98.805     55.804   98.805     55.804   0.0000     0.0000   27.913  7.8893  ?       ?       0.000000       7.889305 
1 1 1 -8  3   41 o 142.048 6.1358  2477.63    211.482  2477.63    211.482  0.0000     0.0000   142.048 6.1358  ?       ?       0.000000       6.135828 
1 1 1 -8  3   42 o 47.097  4.5146  273.443    50.960   215.020    72.747   329.735    71.408   41.076  7.5783  51.516  5.8144  -10.44072      9.551818 
1 1 1 -8  3   43 o 106.936 5.5472  1406.56    143.438  1526.91    181.386  1205.69    234.341  111.066 6.7629  97.447  10.055  13.61913       12.11811 
1 1 1 -8  3   44 o 40.731  6.3848  209.102    61.027   131.018    72.642   396.422    112.512  31.918  8.9942  55.784  8.5879  -23.86611      12.43575 
1 1 1 -8  3   45 o 80.420  4.9058  795.299    95.271   853.006    112.817  651.844    177.878  83.125  5.6266  70.978  10.658  12.14659       12.05162 
1 1 1 -8  3   46 o 35.266  6.3933  158.171    52.692   81.398     78.720   220.490    70.924   26.979  9.5803  41.565  7.2986  -14.58650      12.04378 
1 1 1 -8  3   47 o 30.050  7.1787  116.742    51.626   129.486    77.332   106.496    69.340   31.681  9.3897  28.996  8.9547  2.685030       12.97512 
1 1 1 -8  3   48 o 21.604  8.0833  45.607     57.110   23.147     165.160  48.658     60.865   29.976  12.809  22.282  8.3432  7.694080       15.28697 
1 1 1 -8  3   49 o 62.966  7.7864  505.400    116.427  0.0000     0.0000   505.400    116.427  ?       ?       62.966  7.7864  0.000000       7.786427 
1 1 1 -8  3   50 o 18.308  6.7709  33.529     39.843   40.066     49.742   21.827     66.552   20.184  7.5455  20.447  8.3880  -0.2632465     11.28241 
1 1 1 -8  3   51 o 67.284  4.2947  558.609    69.748   610.565    94.944   497.695    102.803  69.940  5.6427  62.666  6.8738  7.273960       8.893186 
1 1 1 -8  3   52 o 50.680  4.6621  319.128    56.688   284.940    75.715   362.736    85.514   47.232  6.8029  53.413  6.7488  -6.180614      9.582570 
1 1 1 -8  3   53 o 56.729  4.4959  398.616    61.377   367.457    82.256   437.758    92.193   53.876  6.4186  58.808  6.5734  -4.931915      9.187432 
1 1 1 -8  3   54 o 39.622  5.3152  197.611    49.812   189.313    65.087   209.341    77.388   38.196  7.2888  39.899  8.2655  -1.703247      11.02021 
1 1 1 -8  3   55 o 32.056  6.7725  133.425    51.026   124.192    62.902   151.195    87.260   30.688  8.2635  33.687  9.9720  -2.998816      12.95089 
1 1 1 -8  3   56 o 54.106  6.2472  370.538    80.508   364.616    91.035   391.794    172.470  53.302  7.2250  52.200  13.512  1.102272       15.32223 
1 1 1 -8  3   57 o 15.867  7.0794  -18.1593   55.413   -15.3274   61.156   -31.1489   130.979  16.927  7.5013  24.134  10.818  -7.207047      13.16393 
1 1 1 -8  4   1  o 760.132 14.879  70405.48   2744.25  70373.38   3879.49  70437.63   3882.41  758.297 21.085  758.641 21.091  -0.3439331     29.82300 
1 1 1 -8  4   2  o 614.373 11.969  45922.64   1784.24  45456.30   2522.27  46389.74   2524.33  610.362 17.031  616.630 16.872  -6.267761      23.97305 
1 1 1 -8  4   3  o 762.096 14.851  70768.86   2746.27  69328.01   3883.06  72210.83   3884.56  752.586 21.264  768.208 20.840  -15.62213      29.77390 
1 1 1 -8  4   4  o 321.175 6.7841  12525.90   528.688  12118.46   747.159  12934.47   748.197  315.756 9.7521  326.233 9.4520  -10.47614      13.58100 
1 1 1 -8  4   5  o 476.627 9.5599  27609.76   1105.59  27415.53   1563.01  27804.25   1564.07  474.520 13.575  477.883 13.489  -3.363007      19.13715 
1 1 1 -8  4   6  o 89.843  4.7855  982.484    103.947  1035.51    160.418  944.106    136.473  92.056  7.2403  87.945  6.4403  4.111572       9.690123 
1 1 1 -8  4   7  o 756.214 20.892  69956.93   3833.38  70723.59   5440.68  69201.16   5401.97  757.192 29.613  748.951 29.726  8.241333       41.95904 
1 1 1 -8  4   8  o 1159.49 31.929  166249.50  8982.76  169943.50  12724.04 162579.09  12683.14 1161.37 45.153  1135.08 46.051  26.28760       64.49418 
1 1 1 -8  4   9  o 468.874 13.282  26759.84   1511.03  26989.70   2157.62  26538.60   2116.79  470.085 18.916  466.173 18.714  3.911896       26.60900 
1 1 1 -8  4   10 o 357.823 7.3111  15549.10   634.766  15605.52   897.922  15492.73   897.469  358.293 10.328  356.994 10.361  1.299347       14.62956 
1 1 1 -8  4   11 o 475.470 9.5265  27473.92   1099.06  28552.73   1554.64  26396.03   1553.97  484.333 13.229  465.621 13.755  18.71277       19.08374 
1 1 1 -8  4   12 o 412.035 8.5141  20625.16   851.208  20996.41   1204.24  20254.47   1203.34  415.450 11.946  408.025 12.154  7.425629       17.04242 
1 1 1 -8  4   13 o 216.894 5.0602  5710.09    266.307  5856.98    377.130  5564.00    376.101  219.614 7.0773  214.046 7.2416  5.568130       10.12564 
1 1 1 -8  4   14 f 328.772 6.9112  13126.19   551.333  13203.31   779.813  13049.12   779.591  329.582 9.7513  327.648 9.8061  1.933594       13.82923 
1 1 1 -8  4   15 o 180.919 4.4977  3972.70    197.440  3845.16    279.316  4100.08    279.129  177.951 6.4689  183.760 6.2602  -5.809006      9.002065 
1 1 1 -8  4   16 o 258.064 5.7315  8085.54    358.891  7965.19    507.691  8205.77    507.406  256.039 8.1720  259.883 8.0466  -3.843903      11.46865 
1 1 1 -8  4   17 o 282.781 6.1141  9710.30    419.514  9657.92    593.542  9762.59    593.022  281.886 8.6779  283.413 8.6236  -1.526733      12.23404 
1 1 1 -8  4   18 o 238.483 5.4777  6905.74    316.974  7202.72    448.391  6609.09    448.147  243.464 7.5903  233.199 7.9201  10.26509       10.96998 
1 1 1 -8  4   19 o 169.050 4.4844  3469.38    183.945  3464.66    260.246  3474.09    260.029  168.879 6.3510  169.109 6.3371  -0.2301483     8.971860 
1 1 1 -8  4   20 o 273.078 6.0466  9060.34    400.648  9060.22    567.064  9060.46    566.140  272.876 8.5645  272.881 8.5504  -0.5004883E-02 12.10209 
1 1 1 -8  4   21 o 112.487 3.8354  1536.20    104.684  1521.02    148.247  1551.30    147.846  111.888 5.4606  112.998 5.3923  -1.110352      7.674257 
1 1 1 -8  4   22 o 55.763  4.0118  379.559    53.919   370.420    77.535   388.117    75.032   54.883  5.9158  56.235  5.5722  -1.351788      8.126880 
1 1 1 -8  4   23 o 168.172 6.2440  3440.14    254.788  3610.13    342.189  3228.64    381.688  172.114 8.1938  162.331 9.7354  9.783188       12.72462 
1 1 1 -8  4   24 o 114.401 5.4223  1591.17    150.514  1779.63    197.377  1329.28    232.670  120.728 6.7652  103.938 9.3249  16.78928       11.52049 
1 1 1 -8  4   25 o 123.482 5.4340  1853.83    162.812  1787.07    214.005  1945.57    250.864  120.914 7.3289  126.060 8.2470  -5.146591      11.03297 
1 1 1 -8  4   26 o 137.262 4.0217  2288.41    133.943  2448.36    190.804  2133.01    188.073  141.904 5.5415  132.434 5.8528  9.470367       8.060013 
1 1 1 -8  4   27 o 191.657 4.7233  4463.50    219.650  4555.30    312.376  4373.72    308.919  193.466 6.6544  189.565 6.7162  3.900787       9.454509 
1 1 1 -8  4   28 o 249.956 5.6870  7597.72    344.915  7783.93    489.373  7413.91    486.211  252.713 7.9808  246.613 8.1254  6.100433       11.38929 
1 1 1 -8  4   29 o 105.360 3.9083  1348.28    99.914   1342.69    143.990  1353.48    138.756  104.922 5.6770  105.366 5.4459  -0.4441528     7.866837 
1 1 1 -8  4   30 o 88.355  3.8926  948.228    83.451   969.394    120.755  928.879    115.459  89.103  5.6140  87.227  5.4831  1.876381       7.847400 
1 1 1 -8  4   31 o 171.408 6.5326  3577.25    271.695  3827.54    422.329  3400.52    354.881  176.626 9.8943  166.649 8.8077  9.976593       13.24658 
1 1 1 -8  4   32 o 150.788 6.4027  2768.89    234.259  2438.94    373.593  2982.68    300.723  140.581 11.041  156.141 7.9640  -15.56061      13.61372 
1 1 1 -8  4   33 o 172.981 6.6395  3646.84    278.674  3735.04    435.487  3585.68    362.645  174.197 10.350  171.016 8.7689  3.181030       13.56499 
1 1 1 -8  4   34 o 52.323  4.3944  335.254    55.273   228.316    81.180   427.672    75.468   42.509  8.1673  59.034  5.3260  -16.52435      9.750429 
1 1 1 -8  4   35 o 30.819  5.9771  119.754    43.084   142.152    63.833   101.014    58.389   33.414  7.9826  28.374  8.0876  5.039564       11.36357 
1 1 1 -8  4   36 o 62.461  4.0760  476.697    61.436   478.221    88.265   475.264    85.564   62.319  5.9078  62.151  5.7387  0.1687317      8.236156 
1 1 1 -8  4   37 o 37.342  4.9806  173.009    44.003   147.333    63.090   197.332    61.404   33.969  7.8168  39.631  6.6189  -5.662731      10.24270 
1 1 1 -8  4   38 o 75.169  3.9748  690.036    72.239   676.646    103.516  702.748    100.858  74.159  5.7990  75.630  5.5345  -1.471169      8.016168 
1 1 1 -8  4   39 o 158.165 4.4675  3051.80    171.451  3194.79    244.435  2913.31    240.547  161.406 6.2414  154.080 6.4341  7.326004       8.963973 
1 1 1 -8  4   40 o 68.976  5.8174  587.283    96.454   587.283    96.454   0.0000     0.0000   68.976  5.8174  ?       ?       0.000000       5.817368 
1 1 1 -8  4   41 o 56.705  6.1434  399.525    83.174   399.525    83.174   0.0000     0.0000   56.705  6.1434  ?       ?       0.000000       6.143352 
1 1 1 -8  4   42 o 28.071  6.0785  100.521    40.203   66.962     55.529   137.490    58.281   23.950  8.0686  32.702  7.5041  -8.752184      11.01879 
1 1 1 -8  4   43 f 92.412  5.3818  1050.83    120.154  1052.18    149.628  1048.39    201.615  92.106  6.7420  91.077  9.2517  1.029633       11.44767 
1 1 1 -8  4   44 o 70.217  5.4190  608.704    91.613   623.680    111.837  578.155    159.728  70.794  6.5862  67.002  10.142  3.792114       12.09300 
1 1 1 -8  4   45 o 23.560  7.0324  69.702     43.263   31.723     69.599   93.619     55.230   21.777  8.7062  27.128  7.9063  -5.350929      11.76040 
1 1 1 -8  4   46 o 81.912  4.4116  823.960    87.359   852.917    124.326  795.719    122.777  82.854  6.2298  79.966  6.3809  2.888229       8.917706 
1 1 1 -8  4   47 o 40.665  5.9921  208.567    57.351   243.146    84.378   178.874    78.189   43.310  8.3318  36.929  8.8429  6.380550       12.14975 
1 1 1 -8  4   48 o 42.089  8.9297  232.614    88.369   0.0000     0.0000   232.614    88.369   ?       ?       42.089  8.9297  0.000000       8.929697 
1 1 1 -8  4   49 o 98.365  7.6654  1224.76    181.510  0.0000     0.0000   1224.76    181.510  ?       ?       98.365  7.6654  0.000000       7.665438 
1 1 1 -8  4   50 o 53.940  4.5983  360.669    59.607   316.675    79.251   417.976    90.450   49.907  6.7150  57.485  6.6047  -7.578098      9.418773 
1 1 1 -8  4   51 o 53.676  4.5897  357.402    59.202   368.736    79.710   343.458    88.414   54.055  6.1889  51.782  7.2343  2.272137       9.520405 
1 1 1 -8  4   52 o 32.637  5.9906  136.532    45.692   181.497    59.921   74.062     70.627   37.503  6.8368  25.414  9.0692  12.08881       11.35750 
1 1 1 -8  4   53 o 40.325  5.2460  204.436    50.115   153.305    65.874   274.687    77.215   34.091  8.0859  46.255  7.1073  -12.16340      10.76547 
1 1 1 -8  4   54 o 26.288  6.7755  89.892     43.490   122.186    49.786   -14.1266   89.351   30.636  6.8672  20.782  9.1450  9.854540       11.43628 
1 1 1 -8  4   55 o 23.907  7.5876  71.841     49.436   58.911     52.480   173.728    147.311  22.501  7.8359  36.742  13.099  -14.24104      15.26410 
1 1 1 -8  4   56 o 33.882  7.3456  150.676    58.648   178.937    63.602   -9.8242    151.571  36.993  7.3448  26.856  11.860  10.13756       13.94993 
1 1 1 -8  5   1  o 285.561 6.1177  9900.36    423.889  9975.84    598.272  9824.27    600.674  286.545 8.6048  284.355 8.7059  2.190033       12.24073 
1 1 1 -8  5   2  o 290.416 6.2055  10240.07   437.284  10011.07   617.370  10470.62   619.460  287.038 8.8642  293.561 8.6966  -6.522614      12.41799 
1 1 1 -8  5   3  f 363.645 7.4508  16060.55   657.422  15614.39   928.951  16508.23   930.521  358.354 10.684  368.489 10.407  -10.13510      14.91476 
1 1 1 -8  5   4  o 300.109 7.3491  10938.21   535.148  10582.79   659.288  11624.66   916.248  295.104 9.2074  309.097 12.217  -13.99234      15.29783 
1 1 1 -8  5   5  o 175.006 6.1717  3718.44    262.075  3783.27    386.642  3663.34    356.455  176.217 9.0735  173.649 8.4600  2.568481       12.40559 
1 1 1 -8  5   6  o 906.835 25.164  100977.70  5536.88  99686.04   7848.57  102257.40  7812.23  895.342 36.127  907.203 35.490  -11.86121      50.64320 
1 1 1 -8  5   7  o 577.545 15.978  40663.65   2239.08  42387.13   3185.25  38980.07   3148.15  588.310 22.314  564.005 23.004  24.30524       32.04843 
1 1 1 -8  5   8  o 640.739 17.742  50103.73   2758.36  51144.59   3920.49  49083.39   3881.64  645.474 25.032  632.253 25.302  13.22076       35.59232 
1 1 1 -8  5   9  o 309.702 6.5170  11645.82   489.729  12269.12   692.559  11022.45   692.603  317.768 8.9822  301.165 9.4780  16.60248       13.05801 
1 1 1 -8  5   10 o 507.594 10.027  31317.67   1235.01  32227.03   1746.73  30408.64   1746.42  514.449 13.993  499.669 14.405  14.77927       20.08243 
1 1 1 -8  5   11 o 415.638 8.3193  20986.31   839.005  21606.68   1186.94  20366.78   1186.13  421.475 11.606  409.172 11.947  12.30295       16.65646 
1 1 1 -8  5   12 o 90.174  3.6052  986.744    78.882   1001.54    111.450  971.887    111.663  90.694  5.0850  89.331  5.1737  1.362785       7.254316 
1 1 1 -8  5   13 o 90.548  3.7431  994.970    82.239   1049.69    114.602  936.878    118.083  92.853  5.1063  87.672  5.5799  5.180176       7.563673 
1 1 1 -8  5   14 o 623.223 12.294  47270.08   1859.15  46004.59   2629.61  48534.85   2628.85  613.802 17.656  630.563 17.182  -16.76154      24.63665 
1 1 1 -8  5   15 o 551.164 10.843  36950.91   1450.12  35769.11   2051.02  38132.15   2050.54  541.525 15.609  559.221 15.112  -17.69568      21.72618 
1 1 1 -8  5   16 o 513.010 10.093  32007.51   1256.34  31793.06   1777.16  32221.76   1776.30  510.651 14.343  514.101 14.240  -3.449493      20.21117 
1 1 1 -8  5   17 o 411.366 8.3642  20568.89   834.865  20544.43   1180.91  20593.34   1180.45  410.731 11.849  411.222 11.831  -0.4910278     16.74424 
1 1 1 -8  5   18 o 432.644 8.7154  22762.95   914.920  22966.47   1294.31  22559.70   1293.47  434.064 12.289  430.185 12.392  3.878174       17.45227 
1 1 1 -8  5   19 o 209.139 4.9697  5311.47    252.189  5479.77    356.942  5143.72    356.356  212.332 6.9282  205.707 7.1396  6.625381       9.948491 
1 1 1 -8  5   20 o 320.052 6.6875  12452.98   519.339  12746.06   734.883  12160.57   734.029  323.475 9.3630  315.929 9.5755  7.545990       13.39235 
1 1 1 -8  5   21 o 249.616 5.7706  7573.31    349.510  7410.96    494.517  7735.35    494.047  246.685 8.2618  252.047 8.0783  -5.362198      11.55495 
1 1 1 -8  5   22 o 97.703  5.3279  1163.69    125.831  1282.98    161.631  980.145    200.485  102.487 6.5337  89.140  9.4116  13.34751       11.45723 
1 1 1 -8  5   23 o 423.594 12.040  21994.55   1237.47  20663.60   1726.05  23402.20   1775.09  408.291 17.423  434.817 16.825  -26.52628      24.22038 
1 1 1 -8  5   24 o 209.673 7.0182  5352.84    357.051  5192.52    484.009  5544.26    528.860  206.175 9.6751  212.957 10.235  -6.782379      14.08404 
1 1 1 -8  5   25 o 193.798 4.8080  4564.12    226.091  4481.33    320.821  4645.81    318.672  191.865 6.8913  195.370 6.7224  -3.505447      9.627075 
1 1 1 -8  5   26 o 149.894 4.1567  2729.22    151.182  2722.35    214.311  2736.03    213.300  149.610 5.9036  149.989 5.8610  -0.3782959     8.318869 
1 1 1 -8  5   27 o 268.011 6.0116  8737.32    390.938  8853.30    554.206  8622.45    551.543  269.435 8.4772  265.888 8.5490  3.547699       12.03948 
1 1 1 -8  5   28 o 159.443 4.2608  3088.39    164.840  3324.56    235.050  2859.82    231.234  165.327 5.8594  153.312 6.2160  12.01486       8.542300 
1 1 1 -8  5   29 o 124.122 4.0169  1871.44    120.977  1877.83    173.230  1865.36    169.020  124.253 5.7459  123.846 5.6246  0.4065170      8.040591 
1 1 1 -8  5   30 o 173.937 6.4920  3683.14    273.988  4155.60    425.929  3349.63    357.857  184.142 9.5658  165.381 8.9512  18.76100       13.10065 
1 1 1 -8  5   31 o 208.005 7.2825  5273.91    367.550  5315.65    558.596  5242.04    488.096  207.891 11.114  206.996 9.7181  0.8949738      14.76360 
1 1 1 -8  5   32 o 113.806 5.9211  1581.04    162.940  1653.19    276.556  1542.68    201.658  115.751 9.9433  112.212 7.4488  3.538849       12.42396 
1 1 1 -8  5   33 f 126.487 4.1913  1944.90    128.635  2127.30    184.044  1770.68    179.864  132.169 5.7389  120.391 6.1780  11.77814       8.432267 
1 1 1 -8  5   34 o 132.438 4.2276  2133.16    135.853  2222.36    194.256  2047.77    190.063  135.020 5.9294  129.595 6.0443  5.424133       8.467067 
1 1 1 -8  5   35 o 117.655 4.0838  1683.99    116.584  1718.64    164.825  1649.31    164.924  118.703 5.7227  116.122 5.8724  2.581177       8.199657 
1 1 1 -8  5   36 o 39.742  5.3262  196.064    50.069   231.674    66.060   147.991    76.753   43.046  6.5297  34.062  9.1096  8.983120       11.20813 
1 1 1 -8  5   37 o 114.933 4.1831  1609.03    116.657  1690.56    164.758  1527.07    165.197  117.595 5.7742  111.547 6.1270  6.047791       8.419125 
1 1 1 -8  5   38 o 96.633  3.9770  1137.65    93.249   1199.46    134.092  1079.76    129.763  98.864  5.6130  93.762  5.7313  5.102432       8.022057 
1 1 1 -8  5   39 o 58.772  6.1756  428.339    86.749   428.339    86.749   0.0000     0.0000   58.772  6.1756  ?       ?       0.000000       6.175553 
1 1 1 -8  5   40 o 54.923  6.0814  374.784    79.684   374.784    79.684   0.0000     0.0000   54.923  6.0814  ?       ?       0.000000       6.081447 
1 1 1 -8  5   41 o 25.958  6.5438  86.188     41.205   94.526     58.095   77.747     58.451   27.390  8.1432  25.397  8.2691  1.992197       11.60562 
1 1 1 -8  5   42 o 93.601  5.3767  1077.76    121.599  1036.25    151.398  1153.21    204.112  91.374  6.8791  95.724  8.8894  -4.350143      11.24025 
1 1 1 -8  5   43 o 32.886  7.1079  138.773    55.063   158.076    64.170   84.873     107.229  35.027  7.7552  29.371  11.059  5.655758       13.50727 
1 1 1 -8  5   44 o 90.125  4.0402  992.241    88.350   956.233    125.381  1027.75    124.514  87.941  5.9103  91.256  5.6511  -3.315048      8.177195 
1 1 1 -8  5   45 o 117.277 4.3658  1683.42    124.234  1789.97    175.942  1577.46    175.445  120.456 6.0197  112.774 6.4383  7.682388       8.814142 
1 1 1 -8  5   46 o 43.782  5.6499  240.080    58.620   213.058    85.496   264.053    80.529   40.343  8.9664  45.431  7.5719  -5.087128      11.73586 
1 1 1 -8  5   47 o 32.116  8.7809  134.902    70.390   0.0000     0.0000   134.902    70.390   ?       ?       32.116  8.7809  0.000000       8.780916 
1 1 1 -8  5   48 o 56.310  8.0228  407.083    106.518  0.0000     0.0000   407.083    106.518  ?       ?       56.310  8.0228  0.000000       8.022840 
1 1 1 -8  5   49 o 52.873  5.4645  349.491    69.093   390.558    93.650   300.434    102.355  55.378  7.1355  47.726  9.1720  7.652206       11.62071 
1 1 1 -8  5   50 o 10.239  4.9406  -56.7142   36.882   -16.8107   51.853   -97.5719   52.469   15.440  6.8716  11.523  5.6356  3.917233       8.887030 
1 1 1 -8  5   51 o 47.375  4.9122  279.989    55.645   337.103    74.502   207.926    83.686   51.687  6.0552  39.528  8.9353  12.15919       10.79370 
1 1 1 -8  5   52 o 55.268  4.6212  378.974    61.403   457.206    81.864   278.354    92.842   60.429  5.6487  45.995  8.6360  14.43346       10.31938 
1 1 1 -8  5   53 o 13.018  5.7018  -6.8930    34.378   -3.2578    43.341   -13.0608   56.454   15.013  6.4904  16.431  7.2479  -1.417177      9.729189 
1 1 1 -8  5   54 o 9.5058  4.5570  -42.2672   30.183   -41.1236   32.387   -49.8196   83.230   10.080  4.8015  18.192  8.3374  -8.111913      9.621208 
1 1 1 -8  5   55 o 20.820  7.1923  50.549     44.171   66.752     45.986   -142.6592  158.796  23.058  7.3180  22.991  10.857  0.6668472E-01  13.09312 
1 1 1 -8  6   1  o 154.861 3.9813  2910.41    149.598  3027.88    210.495  2790.52    212.650  157.934 5.4929  151.612 5.7805  6.321320       7.974121 
1 1 1 -8  6   2  f 273.204 5.9299  9061.60    393.097  8997.96    554.878  9125.71    556.974  272.149 8.4028  274.076 8.3753  -1.926300      11.86396 
1 1 1 -8  6   3  o 257.687 7.9709  8065.91    498.383  8325.97    720.957  7827.89    689.720  261.642 11.356  253.704 11.204  7.938187       15.95308 
1 1 1 -8  6   4  o 489.792 13.616  29208.42   1618.11  31196.67   2306.37  27281.07   2270.77  505.371 18.809  472.417 19.810  32.95337       27.31655 
1 1 1 -8  6   5  o 1030.43 28.589  130834.60  7147.88  129605.10  10127.41 132055.00  10089.96 1017.29 41.029  1027.28 40.479  -9.997253      57.63649 
1 1 1 -8  6   6  o 837.650 23.156  85996.15   4706.37  86269.00   6674.51  85726.34   6637.26  834.655 32.957  832.068 32.875  2.587219       46.55032 
1 1 1 -8  6   7  o 351.534 10.199  15021.92   869.933  15715.28   1248.59  14367.80   1212.74  359.211 14.325  343.445 14.553  15.76633       20.42056 
1 1 1 -8  6   8  o 594.567 11.790  43000.99   1700.93  42828.77   2405.23  43173.29   2405.74  592.587 16.728  594.978 16.664  -2.390625      23.61175 
1 1 1 -8  6   9  f 235.072 5.3475  6707.65    305.010  6321.34    431.286  7094.19    431.413  228.133 7.7914  241.691 7.3564  -13.55890      10.71554 
1 1 1 -8  6   10 o 258.436 5.8092  8108.15    364.278  8298.06    515.122  7918.17    515.211  261.365 8.1227  255.304 8.3169  6.060516       11.62537 
1 1 1 -8  6   11 o 539.380 10.826  35376.36   1416.84  35791.26   2003.82  34961.55   2003.60  541.929 15.239  535.582 15.418  6.346680       21.67787 
1 1 1 -8  6   12 o 355.191 7.4533  15322.86   642.356  15244.64   908.830  15400.95   908.027  354.084 10.578  355.899 10.515  -1.815338      14.91519 
1 1 1 -8  6   13 o 197.499 4.9049  4734.58    235.050  5038.46    332.129  4429.66    332.693  203.694 6.7199  190.979 7.1795  12.71498       9.833751 
1 1 1 -8  6   14 o 559.685 11.000  38104.87   1493.82  37585.63   2112.97  38623.72   2112.19  555.095 15.688  562.751 15.469  -7.655701      22.03149 
1 1 1 -8  6   15 o 143.962 4.0197  2515.33    140.414  2441.47    196.337  2592.67    200.891  141.804 5.7062  146.130 5.6657  -4.325745      8.041237 
1 1 1 -8  6   16 f 607.644 11.893  44963.36   1753.55  44684.68   2480.44  45241.78   2479.34  604.605 16.908  608.393 16.795  -3.787659      23.83200 
1 1 1 -8  6   17 o 498.133 9.8000  30192.05   1184.50  30042.61   1675.82  30341.24   1674.45  496.164 13.920  498.641 13.839  -2.476746      19.62897 
1 1 1 -8  6   18 o 362.243 7.4670  15952.16   656.310  15973.52   928.829  15930.86   927.498  362.116 10.571  361.632 10.570  0.4837341      14.94921 
1 1 1 -8  6   19 o 315.240 6.6661  12080.25   509.892  12136.11   721.824  12024.62   720.371  315.657 9.4244  314.200 9.4490  1.456512       13.34550 
1 1 1 -8  6   20 o 327.931 6.9571  13080.66   553.574  13265.92   783.386  12895.89   782.357  329.824 9.7888  325.170 9.9159  4.654297       13.93359 
1 1 1 -8  6   21 o 169.274 6.4115  3485.28    263.337  3927.72    352.197  2924.35    396.568  179.560 8.0837  154.344 10.654  25.21574       13.37399 
1 1 1 -8  6   22 o 125.000 5.4635  1899.62    165.707  1714.79    217.420  2155.79    255.959  118.405 7.6080  132.767 7.9825  -14.36198      11.02735 
1 1 1 -8  6   23 o 82.097  5.3750  822.933    106.479  886.863    135.465  719.577    172.243  85.107  6.6118  76.178  9.5268  8.929138       11.59639 
1 1 1 -8  6   24 o 146.941 5.9946  2626.35    213.730  2896.13    282.911  2267.68    326.212  154.184 7.5622  135.870 9.9644  18.31401       12.50903 
1 1 1 -8  6   25 o 118.870 3.8829  1716.13    111.992  1650.53    159.203  1780.40    157.572  116.506 5.6317  121.015 5.3663  -4.509552      7.779030 
1 1 1 -8  6   26 f 287.226 6.2873  10037.61   438.178  10002.38   620.883  10072.56   618.480  286.303 8.9376  287.318 8.8715  -1.014954      12.59304 
1 1 1 -8  6   27 o 153.226 4.4126  2852.53    164.057  2840.85    232.316  2864.15    231.709  152.800 6.2660  153.428 6.2240  -0.6282501     8.831853 
1 1 1 -8  6   28 o 77.017  4.0980  722.599    76.306   711.206    105.455  735.120    110.551  76.254  5.7417  77.512  5.9228  -1.258629      8.249052 
1 1 1 -8  6   29 o 83.097  4.0699  838.846    82.060   804.228    113.137  877.273    119.200  81.104  5.7871  84.719  5.8342  -3.615501      8.217572 
1 1 1 -8  6   30 f 116.022 6.0173  1642.62    168.815  1841.98    272.688  1518.74    214.962  122.422 9.2482  111.291 8.0141  11.13081       12.23744 
1 1 1 -8  6   31 o 15.781  7.4168  -77.6586   72.523   -138.5053  130.773  -50.6339   87.153   21.192  9.9597  19.151  8.6822  2.041147       13.21279 
1 1 1 -8  6   32 o 51.632  7.9227  333.037    96.086   209.552    167.756  393.328    117.219  42.154  14.023  56.020  8.9229  -13.86616      16.62095 
1 1 1 -8  6   33 o 175.227 4.7036  3735.73    199.984  3822.82    283.699  3649.72    281.948  177.013 6.6052  172.942 6.7190  4.070862       9.422014 
1 1 1 -8  6   34 o 138.622 4.2238  2337.74    142.068  2273.35    200.738  2402.36    201.091  136.500 6.0608  140.340 5.9054  -3.839890      8.462086 
1 1 1 -8  6   35 o 50.046  4.8256  307.960    57.872   262.499    78.537   361.971    85.604   45.735  7.3244  54.000  6.6755  -8.265530      9.910078 
1 1 1 -8  6   36 o 96.723  3.9804  1138.92    93.416   1123.40    131.226  1154.86    133.012  95.727  5.6750  97.063  5.6724  -1.335640      8.023812 
1 1 1 -8  6   37 f 94.112  3.9450  1078.80    90.087   1140.30    128.836  1019.96    126.015  96.420  5.5300  91.136  5.7277  5.284172       7.961668 
1 1 1 -8  6   38 o 48.521  6.6555  294.454    76.292   294.454    76.292   0.0000     0.0000   48.521  6.6555  ?       ?       0.000000       6.655507 
1 1 1 -8  6   39 o 116.158 5.9151  1659.51    166.163  1659.51    166.163  0.0000     0.0000   116.158 5.9151  ?       ?       0.000000       5.915052 
1 1 1 -8  6   40 o 48.739  4.4276  292.509    51.791   254.058    73.283   330.877    73.203   44.884  6.9538  51.575  5.9594  -6.690716      9.158070 
1 1 1 -8  6   41 o 83.183  3.9594  844.326    79.916   831.396    114.141  856.759    111.928  82.086  5.7674  83.381  5.5643  -1.295807      8.013961 
1 1 1 -8  6   42 o 72.818  5.4000  654.005    94.731   686.213    115.253  586.930    166.322  74.344  6.4531  67.432  10.508  6.911896       12.33097 
1 1 1 -8  6   43 o 36.916  6.7797  173.510    58.490   192.049    68.195   121.921    113.757  38.710  7.5316  32.555  11.521  6.155167       13.76468 
1 1 1 -8  6   44 o 56.121  4.8668  388.985    65.616   477.437    100.372  322.974    86.709   61.739  6.8138  50.515  7.2849  11.22379       9.974794 
1 1 1 -8  6   45 o 119.199 4.4136  1740.51    127.652  1639.70    180.627  1841.09    180.429  114.877 6.5069  122.064 6.0919  -7.187027      8.913542 
1 1 1 -8  6   46 o 64.407  6.6619  520.648    102.605  0.0000     0.0000   520.648    102.605  ?       ?       64.407  6.6619  0.000000       6.661866 
1 1 1 -8  6   47 o 19.156  7.9936  12.491     61.863   0.0000     0.0000   12.491     61.863   ?       ?       19.156  7.9936  0.000000       7.993560 
1 1 1 -8  6   48 o 30.286  9.0420  119.380    71.517   134.257    197.941  117.147    76.698   36.864  14.701  30.161  9.4349  6.702818       17.46800 
1 1 1 -8  6   49 o 34.913  6.6166  157.108    53.999   91.987     80.050   211.486    73.149   27.730  9.6765  40.283  7.7653  -12.55293      12.40704 
1 1 1 -8  6   50 o 66.342  4.7023  545.358    75.204   554.377    106.903  536.522    105.815  66.173  6.7527  65.069  6.8026  1.103661       9.585093 
1 1 1 -8  6   51 f 24.034  8.3019  68.382     58.850   -13.7177   189.073  77.189     61.926   29.728  13.181  25.193  8.5205  4.535034       15.69530 
1 1 1 -8  6   52 o 18.985  6.5436  41.498     36.552   -4.4258    46.577   115.117    58.973   15.468  6.7077  29.597  8.0145  -14.12872      10.45114 
1 1 1 -8  6   53 o 16.477  6.6370  16.789     40.781   16.592     45.854   17.531     89.205   17.209  6.9999  22.622  9.5293  -5.412556      11.82393 
1 1 1 -8  6   54 o 52.653  5.8113  349.175    73.007   329.134    79.774   452.502    181.140  50.825  6.6263  56.208  13.460  -5.383133      15.00228 
1 1 1 -8  6   55 o 62.134  5.7341  485.442    85.473   462.214    95.399   579.967    192.446  60.262  6.6343  63.926  12.853  -3.664650      14.46384 
1 1 1 -8  7   1  o 415.981 9.6927  21031.56   978.328  21614.60   1682.16  20733.55   1202.64  420.986 16.468  412.823 12.006  8.163269       20.37988 
1 1 1 -8  7   2  o 535.694 21.250  35119.46   2762.06  0.0000     0.0000   35119.46   2762.06  ?       ?       535.694 21.250  0.000000       21.24965 
1 1 1 -8  7   3  o 228.354 7.1141  6332.50    394.179  7603.21    572.677  5188.47    543.382  250.126 9.4360  206.279 10.895  43.84727       14.41319 
1 1 1 -8  7   4  o 374.108 10.978  17018.92   996.472  16261.42   1426.36  17741.07   1392.69  365.202 16.097  381.575 15.042  -16.37326      22.03100 
1 1 1 -8  7   5  o 1066.83 29.563  140390.70  7652.63  139923.50  10841.22 140854.70  10803.79 1055.97 42.312  1059.72 42.017  -3.752563      59.62962 
1 1 1 -8  7   6  o 565.794 15.897  39024.81   2182.39  38579.87   3105.39  39459.02   3067.68  561.134 22.808  567.621 22.273  -6.486816      31.87961 
1 1 1 -8  7   7  o 350.244 7.2655  14897.45   617.448  15851.06   872.956  13942.75   873.452  361.120 9.9627  338.641 10.630  22.47879       14.56893 
1 1 1 -8  7   8  o 357.770 7.2654  15544.68   630.706  15311.90   891.730  15777.69   892.175  354.897 10.355  360.265 10.206  -5.368164      14.53965 
1 1 1 -8  7   9  o 292.731 6.2332  10403.94   442.738  10799.95   625.948  10007.48   626.304  298.147 8.6526  286.983 8.9942  11.16357       12.48051 
1 1 1 -8  7   10 o 257.426 5.7071  8044.81    356.479  8400.85    504.042  7688.50    504.232  262.984 7.8990  251.572 8.2604  11.41119       11.42934 
1 1 1 -8  7   11 o 520.203 10.358  32901.65   1307.37  32291.25   1848.78  33512.22   1849.03  514.776 14.801  524.459 14.530  -9.683716      20.74139 
1 1 1 -8  7   12 o 363.115 7.5272  16015.40   663.200  15623.85   937.943  16406.89   937.869  358.425 10.785  367.318 10.523  -8.893463      15.06800 
1 1 1 -8  7   13 o 640.513 12.636  49948.56   1963.87  50382.16   2777.63  49515.14   2777.03  642.167 17.826  636.579 17.979  5.587708       25.31837 
1 1 1 -8  7   14 o 325.933 6.9105  12902.80   546.515  12719.08   773.291  13086.15   772.489  323.414 9.8542  328.059 9.7046  -4.645020      13.83054 
1 1 1 -8  7   15 o 359.771 7.4348  15725.97   649.019  15248.61   917.847  16203.33   917.856  353.994 10.686  364.940 10.365  -10.94586      14.88727 
1 1 1 -8  7   16 o 362.487 7.4662  15967.73   656.682  15813.99   928.815  16121.38   928.562  360.432 10.620  363.930 10.515  -3.498260      14.94554 
1 1 1 -8  7   17 o 396.456 8.0288  19112.67   772.344  19054.89   1092.70  19170.35   1091.82  395.397 11.389  396.600 11.346  -1.203064      16.07627 
1 1 1 -8  7   18 o 317.016 6.6541  12215.98   511.838  11994.94   724.148  12436.65   723.550  313.822 9.5100  319.571 9.3312  -5.749207      13.32334 
1 1 1 -8  7   19 o 228.355 5.3513  6335.86    296.505  6282.65    420.039  6388.71    418.607  227.219 7.6187  229.137 7.5292  -1.918045      10.71134 
1 1 1 -8  7   20 o 12.260  5.5239  -18.2288   34.652   5.8355     50.822   -39.1358   47.371   17.291  7.2328  13.428  6.2032  3.863066       9.528538 
1 1 1 -8  7   21 o 85.570  5.2021  893.275    107.498  588.726    136.710  1386.59    173.994  69.000  8.3345  106.524 6.7668  -37.52399      10.73556 
1 1 1 -8  7   22 o 313.534 9.6766  12009.03   736.160  12762.67   1016.75  11178.66   1067.26  322.329 13.000  301.176 14.604  21.15295       19.55242 
1 1 1 -8  7   23 o 224.500 7.3008  6138.62    397.697  5773.21    539.568  6573.26    588.463  217.306 10.233  231.835 10.461  -14.52872      14.63393 
1 1 1 -8  7   24 o 220.941 5.1453  5933.69    275.838  5861.54    390.688  6005.41    389.503  219.375 7.3397  222.064 7.2288  -2.688889      10.30180 
1 1 1 -8  7   25 o 262.549 5.8181  8383.54    370.640  8359.67    525.240  8407.22    523.095  261.846 8.2670  262.598 8.2097  -0.7527771     11.65083 
1 1 1 -8  7   26 o 114.464 3.9059  1591.36    108.480  1613.14    154.423  1570.14    152.425  115.180 5.5255  113.634 5.5282  1.545769       7.816164 
1 1 1 -8  7   27 o 108.007 3.9881  1417.00    104.517  1433.11    146.553  1400.32    149.097  108.412 5.5903  107.146 5.7561  1.266922       8.023926 
1 1 1 -8  7   28 o 58.776  4.4669  422.207    63.228   417.741    86.269   427.391    92.939   58.264  6.1975  58.883  6.6197  -0.6190224     9.068041 
1 1 1 -8  7   29 o 158.334 6.6223  3052.89    254.418  2515.80    394.504  3435.32    332.894  142.752 11.487  167.794 8.1765  -25.04143      14.09962 
1 1 1 -8  7   30 o 189.611 7.0240  4381.92    323.157  4356.03    492.605  4401.47    428.166  188.152 10.836  189.705 9.3019  -1.552750      14.28083 
1 1 1 -8  7   31 o 153.681 6.3275  2877.43    235.948  3326.91    369.743  2568.65    306.457  164.593 9.2962  144.662 8.7722  19.93130       12.78167 
1 1 1 -8  7   32 o 268.468 6.0966  8784.08    397.143  8595.82    563.947  8969.30    559.372  264.932 8.7728  270.699 8.5163  -5.767242      12.22659 
1 1 1 -8  7   33 o 114.517 4.0573  1594.86    112.737  1504.26    159.078  1686.29    159.794  110.908 5.9328  117.625 5.5988  -6.716843      8.157486 
1 1 1 -8  7   34 o 22.271  7.2591  58.541     45.039   41.480     58.793   82.773     70.070   21.630  8.1787  26.839  9.0635  -5.209105      12.20811 
1 1 1 -8  7   35 o 136.988 4.2669  2285.29    141.827  2332.73    201.205  2238.45    199.949  138.146 6.0025  135.311 6.0901  2.835190       8.550983 
1 1 1 -8  7   36 o 55.387  4.6086  376.654    61.374   345.318    84.180   412.212    89.673   52.645  6.7452  57.634  6.5274  -4.989635      9.386422 
1 1 1 -8  7   37 o 81.892  5.7643  825.093    113.807  825.093    113.807  0.0000     0.0000   81.892  5.7643  ?       ?       0.000000       5.764271 
1 1 1 -8  7   38 o 79.699  5.9350  783.271    113.949  783.271    113.949  0.0000     0.0000   79.699  5.9350  ?       ?       0.000000       5.934987 
1 1 1 -8  7   39 o 60.901  4.2364  454.887    62.212   512.793    90.052   402.017    86.047   64.385  5.8274  56.835  6.3481  7.550556       8.617234 
1 1 1 -8  7   40 o 53.627  4.4019  353.679    56.773   376.597    82.200   332.774    78.506   54.980  6.2741  51.610  6.4069  3.369694       8.967280 
1 1 1 -8  7   41 o 96.237  5.4601  1139.95    126.973  1155.97    157.569  1110.29    214.424  96.545  6.7691  93.599  9.5763  2.945732       11.72718 
1 1 1 -8  7   42 o 247.945 7.1246  7612.45    428.627  4733.18    569.909  11362.10   650.370  191.354 12.340  301.214 8.8986  -109.8601      15.21404 
1 1 1 -8  7   43 o 60.716  4.2678  452.992    62.475   563.752    88.664   343.776    88.045   67.514  5.4591  52.200  7.1384  15.31437       8.986598 
1 1 1 -8  7   44 o 112.102 4.3466  1538.54    118.229  1648.54    169.516  1434.34    164.977  115.392 6.0758  107.511 6.3524  7.880440       8.790251 
1 1 1 -8  7   45 o 69.596  4.5543  596.623    76.483   564.302    108.043  629.089    108.285  67.080  6.7288  70.979  6.3547  -3.899734      9.255177 
1 1 1 -8  7   46 o 97.804  6.2671  1191.96    147.945  0.0000     0.0000   1191.96    147.945  ?       ?       97.804  6.2671  0.000000       6.267144 
1 1 1 -8  7   47 o 92.756  6.5411  1077.57    146.274  964.977    289.010  1116.35    169.600  82.597  14.972  93.961  7.5016  -11.36412      16.74616 
1 1 1 -8  7   48 o 82.711  4.8739  846.624    97.383   835.697    127.549  861.897    150.791  81.556  6.4995  82.304  7.6378  -0.7481537     10.02893 
1 1 1 -8  7   49 f 43.631  5.8104  240.565    59.984   209.201    87.061   268.908    82.762   39.563  9.2370  45.514  7.7733  -5.950737      12.07253 
1 1 1 -8  7   50 o 73.620  4.6209  670.715    82.126   546.099    114.385  803.299    117.986  65.410  7.3334  80.024  6.1228  -14.61430      9.553452 
1 1 1 -8  7   51 o 19.976  7.7094  35.257     52.941   172.760    184.045  22.852     55.278   37.933  14.440  19.076  7.7120  18.85735       16.37002 
1 1 1 -8  7   52 o 21.298  6.9627  55.389     41.424   89.856     55.312   11.364     62.512   26.409  7.9672  19.064  8.0009  7.344780       11.29124 
1 1 1 -8  7   53 o 20.473  7.0458  48.862     42.369   39.242     47.657   85.147     92.551   19.807  7.3893  27.784  10.311  -7.976995      12.68530 
1 1 1 -8  7   54 o 57.566  5.0151  413.449    69.350   355.817    85.663   523.062    118.139  52.734  6.8571  63.644  7.8144  -10.90972      10.39635 
1 1 1 -8  8   1  o 842.605 23.295  87040.66   4762.71  87240.92   6749.90  86842.09   6721.18  839.112 33.152  837.226 33.086  1.885254       46.83727 
1 1 1 -8  8   2  o 613.186 16.935  45869.14   2519.63  47922.64   3578.16  43849.41   3548.60  625.142 23.589  597.744 24.467  27.39819       33.98657 
1 1 1 -8  8   3  o 245.322 7.6659  7309.71    456.315  7709.20    660.213  6944.33    631.404  251.796 10.806  238.975 10.889  12.82141       15.34095 
1 1 1 -8  8   4  o 269.705 8.1398  8836.18    532.681  9860.85    769.595  7893.80    738.044  284.755 11.138  254.730 11.941  30.02501       16.32947 
1 1 1 -8  8   5  o 709.677 13.701  61322.77   2359.23  61045.11   3335.72  61600.70   3337.21  706.777 19.451  710.007 19.371  -3.230042      27.45153 
1 1 1 -8  8   6  o 452.564 9.1052  24887.83   999.851  25953.87   1413.47  23820.19   1414.54  461.816 12.614  442.364 13.179  19.45200       18.24254 
1 1 1 -8  8   7  o 285.149 5.9366  9871.29    410.749  10183.71   580.547  9558.12    581.226  289.534 8.2637  280.487 8.5402  9.046661       11.88376 
1 1 1 -8  8   8  o 224.799 12.091  6166.08    657.093  7298.52    910.893  4937.41    948.806  244.222 15.451  200.012 19.811  44.20966       25.12401 
1 1 1 -8  8   9  o 647.878 12.633  51085.46   1985.97  51434.87   2808.52  50736.02   2808.64  649.071 17.833  644.619 17.957  4.452759       25.30727 
1 1 1 -8  8   10 o 272.104 5.9881  8989.21    395.353  9259.50    558.681  8718.08    559.547  276.069 8.3403  267.864 8.6091  8.205292       11.98654 
1 1 1 -8  8   11 o 212.507 5.0215  5481.65    258.924  5697.65    365.474  5263.98    366.879  216.600 6.9540  208.184 7.2629  8.416016       10.05525 
1 1 1 -8  8   12 o 212.426 4.8909  5477.52    252.093  5428.33    356.581  5526.67    356.446  211.413 6.9512  213.321 6.8865  -1.908508      9.784842 
1 1 1 -8  8   13 o 293.150 6.2213  10435.57   442.523  10416.70   626.107  10454.41   625.537  292.747 8.8144  293.278 8.7904  -0.5307922     12.44847 
1 1 1 -8  8   14 o 324.033 6.8864  12754.30   541.434  12966.89   765.914  12541.94   765.494  326.524 9.6672  321.116 9.8246  5.407959       13.78324 
1 1 1 -8  8   15 o 161.720 4.3535  3174.75    170.830  3281.87    241.729  3067.86    241.452  164.383 6.0605  158.927 6.2614  5.455887       8.714038 
1 1 1 -8  8   16 f 480.060 9.7136  28052.37   1131.46  27536.27   1600.35  28568.16   1599.89  474.799 13.891  483.674 13.632  -8.874969      19.46307 
1 1 1 -8  8   17 o 198.315 4.8338  4776.17    232.602  4798.89    327.810  4753.13    330.099  198.690 6.7996  197.735 6.8801  0.9543152      9.673176 
1 1 1 -8  8   18 o 182.909 4.6098  4063.30    204.587  3996.14    288.374  4131.37    290.296  181.290 6.5557  184.336 6.4903  -3.046097      9.225045 
1 1 1 -8  8   19 o 252.834 5.7003  7770.71    349.699  7233.64    494.010  8310.13    495.090  243.664 8.3556  261.236 7.8106  -17.57190      11.43779 
1 1 1 -8  8   20 o 117.255 5.4178  1671.38    154.142  1618.06    200.404  1748.62    241.200  115.055 7.2150  119.477 8.3730  -4.421326      11.05282 
1 1 1 -8  8   21 o 205.086 7.0804  5121.78    352.338  5406.95    477.172  4779.90    522.466  210.428 9.3456  197.317 10.956  13.11131       14.40030 
1 1 1 -8  8   22 o 200.091 6.8192  4874.10    331.075  4609.95    446.069  5198.09    494.015  194.282 9.4625  206.243 9.8718  -11.96092      13.67447 
1 1 1 -8  8   23 f 267.723 5.8678  8717.75    381.174  8744.51    539.984  8691.18    538.142  267.793 8.3103  266.975 8.3073  0.8172607      11.75046 
1 1 1 -8  8   24 o 121.413 3.9268  1790.43    115.684  1746.07    164.046  1834.31    163.162  119.827 5.6422  122.826 5.4747  -2.998863      7.861724 
1 1 1 -8  8   25 f 139.356 4.1232  2359.04    139.420  2247.18    198.420  2468.14    195.942  135.914 6.0167  142.461 5.6685  -6.547043      8.266310 
1 1 1 -8  8   26 o 252.706 5.6727  7766.66    347.831  7616.82    492.547  7915.73    491.271  249.933 8.1219  254.817 7.9456  -4.884506      11.36217 
1 1 1 -8  8   27 o 169.044 4.5611  3472.60    187.082  3366.45    264.506  3578.87    264.643  166.293 6.5554  171.477 6.3605  -5.183365      9.133938 
1 1 1 -8  8   28 o 65.194  6.9257  523.514    107.878  581.772    190.264  495.912    130.964  67.865  11.993  63.134  8.7874  4.730927       14.86784 
1 1 1 -8  8   29 o 355.858 10.760  15527.12   929.110  15434.24   1351.56  15610.34   1279.34  352.652 15.795  355.122 14.847  -2.470459      21.67774 
1 1 1 -8  8   30 o 72.181  6.7102  640.417    116.177  699.993    194.549  607.397    144.838  74.714  11.066  69.956  8.7223  4.758194       14.09041 
1 1 1 -8  8   31 o 177.022 4.7432  3811.89    203.732  3804.77    289.370  3818.88    286.885  176.617 6.7524  176.954 6.6817  -0.3370056     9.499454 
1 1 1 -8  8   32 o 43.451  5.3224  233.372    54.941   250.714    73.103   210.861    83.287   44.790  6.9519  40.715  8.6949  4.074776       11.13238 
1 1 1 -8  8   33 o 44.369  4.9958  242.833    52.848   281.930    70.858   193.825    79.334   47.645  6.2825  38.982  8.6167  8.662983       10.66389 
1 1 1 -8  8   34 o 19.227  6.9551  37.564     41.691   45.056     53.790   26.291     65.978   21.438  7.8778  21.083  8.4598  0.3544712      11.55975 
1 1 1 -8  8   35 o 44.725  5.1136  247.288    54.495   215.105    74.172   285.039    80.332   41.178  7.7068  47.675  7.1660  -6.496902      10.52365 
1 1 1 -8  8   36 o 148.077 4.4314  2674.32    159.219  2874.64    228.028  2483.73    222.415  153.153 6.1362  142.286 6.4423  10.86699       8.896970 
1 1 1 -8  8   37 o 184.387 6.9883  4186.25    312.653  4186.25    312.653  0.0000     0.0000   184.387 6.9883  ?       ?       0.000000       6.988257 
1 1 1 -8  8   38 o 109.422 5.8944  1473.72    155.920  1473.72    155.920  0.0000     0.0000   109.422 5.8944  ?       ?       0.000000       5.894360 
1 1 1 -8  8   39 o 119.948 4.2013  1756.66    122.276  1799.34    175.013  1715.96    170.909  121.007 5.9607  118.018 5.9879  2.988724       8.448944 
1 1 1 -8  8   40 o 19.176  7.4231  29.811     49.198   64.706     57.511   -65.3990   94.999   23.820  8.2081  19.296  8.8670  4.523657       12.08297 
1 1 1 -8  8   41 o 69.645  5.5814  599.487    93.527   716.504    113.435  351.062    165.280  76.023  6.2035  51.084  13.229  24.93965       14.61160 
1 1 1 -8  8   42 f 26.367  7.8577  87.833     54.045   72.594     62.881   130.914    105.727  25.031  8.5852  32.865  11.133  -7.833298      14.05893 
1 1 1 -8  8   43 o 39.341  6.2585  195.676    57.740   250.100    87.957   154.461    76.542   43.963  8.5534  34.401  9.0486  9.561623       12.45144 
1 1 1 -8  8   44 o 92.841  4.2229  1055.45    95.129   1117.75    136.274  996.245    132.857  94.937  5.9458  89.538  6.1525  5.398537       8.556085 
1 1 1 -8  8   45 o 67.797  6.3306  575.112    102.935  0.0000     0.0000   575.112    102.935  ?       ?       67.797  6.3306  0.000000       6.330620 
1 1 1 -8  8   46 f 59.025  7.9118  446.188    110.461  0.0000     0.0000   446.188    110.461  ?       ?       59.025  7.9118  0.000000       7.911837 
1 1 1 -8  8   47 o 61.151  7.1649  475.392    104.296  378.582    234.910  499.160    116.396  50.775  16.580  62.398  7.8624  -11.62289      18.34940 
1 1 1 -8  8   48 o 37.454  6.6431  180.460    58.161   270.072    85.832   104.380    79.086   45.512  8.0678  28.849  9.6296  16.66367       12.56259 
1 1 1 -8  8   49 f 45.956  5.7132  266.307    62.332   236.668    90.444   293.120    86.023   42.136  9.1116  47.556  7.7196  -5.420200      11.94204 
1 1 1 -8  8   50 o 27.183  9.0020  92.443     69.162   244.182    211.655  74.303     73.179   42.562  15.629  25.581  9.2206  16.98061       18.14606 
1 1 1 -8  8   51 o 43.464  5.9118  239.185    60.729   211.693    86.238   266.229    85.534   39.816  9.1221  45.141  8.1070  -5.325481      12.20399 
1 1 1 -8  8   52 o 66.794  5.1201  555.278    82.350   481.098    109.030  653.800    125.652  61.261  7.4911  71.606  7.3355  -10.34523      10.48454 
1 1 1 -8  8   53 o 51.202  5.3374  328.766    65.336   282.702    79.610   423.809    114.353  46.795  7.2456  56.904  8.5461  -10.10927      11.20419 
1 1 1 -8  8   54 o 43.294  6.2340  239.651    63.599   275.547    68.406   10.846     172.704  46.482  6.2213  29.130  12.769  17.35214       14.20354 
1 1 1 -8  9   1  o 592.789 16.635  42861.11   2392.66  41817.98   3397.92  43887.00   3369.73  583.848 23.986  598.328 23.211  -14.47937      33.37740 
1 1 1 -8  9   2  o 561.506 15.677  38433.72   2135.90  38999.41   3035.52  37879.00   3005.94  564.284 22.170  556.094 22.278  8.190308       31.42947 
1 1 1 -8  9   3  o 660.989 18.346  53352.46   2942.35  53842.54   4176.53  52869.55   4145.87  661.850 26.007  655.827 26.053  6.022522       36.81226 
1 1 1 -8  9   4  o 124.170 3.7429  1871.06    112.769  1764.90    158.716  1979.28    160.252  120.578 5.4249  127.695 5.1721  -7.116837      7.495324 
1 1 1 -8  9   5  o 702.537 13.678  60097.46   2331.54  61064.86   3296.46  59129.10   3298.12  706.917 19.218  695.537 19.543  11.37970       27.40909 
1 1 1 -8  9   6  o 467.275 9.3211  26535.05   1056.83  26973.54   1493.99  26095.87   1495.18  470.732 13.080  462.983 13.310  7.749054       18.66105 
1 1 1 -8  9   7  o 338.402 6.9824  13906.61   573.326  14175.76   810.408  13636.93   811.202  341.503 9.7802  334.936 9.9817  6.566406       13.97445 
1 1 1 -8  9   8  f 383.242 7.9196  17841.50   736.442  17945.04   1041.30  17737.89   1041.67  384.112 11.173  381.882 11.242  2.229462       15.84948 
1 1 1 -8  9   9  o 360.566 7.5539  15791.36   660.880  15821.14   934.607  15761.58   934.645  360.693 10.679  360.012 10.700  0.6813049      15.11689 
1 1 1 -8  9   10 o 312.077 6.6160  11826.79   500.978  11971.45   708.193  11681.89   708.787  313.835 9.3001  310.008 9.4228  3.826416       13.23935 
1 1 1 -8  9   11 o 464.666 9.3976  26247.51   1059.55  27300.39   1498.39  25194.55   1498.46  473.454 13.043  454.754 13.580  18.70032       18.82937 
1 1 1 -8  9   12 o 191.049 4.6050  4430.47    213.471  4704.05    301.308  4154.76    302.482  196.815 6.3094  184.955 6.7402  11.86029       9.232474 
1 1 1 -8  9   13 o 205.441 4.9583  5123.83    247.165  5193.12    349.419  5054.46    349.668  206.759 6.9649  203.977 7.0650  2.782791       9.920913 
1 1 1 -8  9   14 o 24.444  6.5672  75.046     39.782   88.068     57.152   62.808     55.408   26.835  8.0992  23.701  8.0594  3.134771       11.42593 
1 1 1 -8  9   15 o 263.207 5.8206  8414.94    371.733  8241.48    525.772  8588.31    525.647  260.317 8.3240  265.752 8.1518  -5.434418      11.65078 
1 1 1 -8  9   16 o 313.408 6.6746  11939.27   507.571  11743.75   718.215  12134.36   717.412  310.526 9.5322  315.668 9.3664  -5.142914      13.36386 
1 1 1 -8  9   17 o 146.844 4.1320  2618.35    147.225  2524.98    206.121  2715.60    210.360  144.137 5.8936  149.484 5.7997  -5.346100      8.268695 
1 1 1 -8  9   18 o 197.632 4.9188  4745.51    235.876  4552.98    333.002  4939.38    334.159  193.430 7.0951  201.492 6.8349  -8.062683      9.851712 
1 1 1 -8  9   19 o 225.502 7.3757  6192.41    403.569  5882.89    545.167  6567.67    600.269  219.415 10.240  231.762 10.674  -12.34676      14.79183 
1 1 1 -8  9   20 o 410.502 11.636  20650.44   1158.95  18850.61   1612.89  22571.75   1666.44  389.977 17.045  427.237 16.075  -37.26016      23.42974 
1 1 1 -8  9   21 o 215.403 7.3237  5651.97    382.778  6007.81    519.060  5227.76    566.738  221.751 9.6469  206.270 11.367  15.48042       14.90909 
1 1 1 -8  9   22 o 65.990  3.9072  530.771    62.283   538.007    89.413   523.952    86.807   66.279  5.6125  65.411  5.5209  0.8678818      7.872833 
1 1 1 -8  9   23 o 225.424 5.2427  6177.63    286.762  6217.25    406.182  6138.25    404.906  225.916 7.4098  224.473 7.4341  1.442947       10.49624 
1 1 1 -8  9   24 o 176.501 4.5519  3785.32    194.942  3760.20    276.534  3810.13    274.851  175.773 6.4838  176.944 6.4018  -1.170151      9.111669 
1 1 1 -8  9   25 o 220.536 5.1618  5912.65    276.215  5907.57    391.374  5917.68    389.884  220.212 7.3246  220.405 7.2904  -0.1926727     10.33440 
1 1 1 -8  9   26 o 218.045 5.2087  5780.52    275.572  5583.65    390.056  5976.71    389.381  214.050 7.5101  221.490 7.2453  -7.440323      10.43535 
1 1 1 -8  9   27 o 135.566 5.1359  2234.61    168.940  2031.03    321.452  2312.30    198.575  128.392 10.408  137.851 5.9368  -9.459518      11.98217 
1 1 1 -8  9   28 o 269.352 7.9946  8853.01    522.496  11542.74   776.684  6629.44    706.180  306.938 10.429  231.764 12.605  75.17404       16.35979 
1 1 1 -8  9   29 o 111.589 6.2142  1521.23    167.589  1486.61    274.700  1541.75    211.512  109.613 10.455  112.117 7.8240  -2.504211      13.05850 
1 1 1 -8  9   30 o 194.166 7.1695  4600.79    337.777  4442.72    517.185  4718.36    446.048  189.661 11.289  196.226 9.3683  -6.564499      14.67024 
1 1 1 -8  9   31 o 128.534 4.0604  2008.80    126.634  2211.66    179.060  1805.82    179.116  134.745 5.4767  121.700 6.0657  13.04454       8.172347 
1 1 1 -8  9   32 o 45.608  5.1773  256.671    56.278   270.807    75.953   239.460    83.804   46.568  6.9333  43.491  8.2432  3.077259       10.77130 
1 1 1 -8  9   33 o 55.808  4.5544  381.856    61.135   371.348    84.223   393.558    88.880   54.734  6.4667  56.340  6.6285  -1.605789      9.260378 
1 1 1 -8  9   34 o 94.666  4.5575  1092.35    104.686  1088.38    130.048  1099.68    176.446  94.198  5.7168  94.253  7.7850  -0.5474091E-01 9.658587 
1 1 1 -8  9   35 o 97.214  3.9771  1151.31    93.813   1200.14    134.578  1105.15    130.844  98.892  5.6318  94.869  5.7107  4.022896       8.020576 
1 1 1 -8  9   36 o 60.884  6.0547  458.966    88.260   458.966    88.260   0.0000     0.0000   60.884  6.0547  ?       ?       0.000000       6.054716 
1 1 1 -8  9   37 o 26.584  8.4650  86.404     61.491   86.404     61.491   0.0000     0.0000   26.584  8.4650  ?       ?       0.000000       8.465044 
1 1 1 -8  9   38 o 163.580 4.6388  3271.44    184.121  3331.44    262.947  3213.72    257.899  164.432 6.5905  161.504 6.5812  2.928055       9.313741 
1 1 1 -8  9   39 o 26.680  6.4189  91.163     41.049   104.283    61.201   80.435     55.342   28.635  8.3161  25.536  8.0188  3.099098       11.55241 
1 1 1 -8  9   40 o 70.193  5.5092  608.555    93.078   606.101    112.789  613.795    164.806  69.744  6.7493  69.092  10.132  0.6519699      12.17387 
1 1 1 -8  9   41 o 9.3828  4.6362  -86.3444   38.593   -99.2820   43.919   -42.5031   80.849   9.9672  4.9288  18.452  8.3642  -8.484971      9.708399 
1 1 1 -8  9   42 o 20.272  6.6473  48.997     37.746   24.548     52.262   75.659     54.576   19.005  7.5617  24.853  7.9813  -5.847469      10.99459 
1 1 1 -8  9   43 o 53.206  4.9821  350.713    63.571   359.688    92.526   342.688    87.489   53.260  7.3561  52.036  7.1157  1.223942       10.23451 
1 1 1 -8  9   44 o 36.133  8.3398  170.751    71.633   0.0000     0.0000   170.751    71.633   ?       ?       36.133  8.3398  0.000000       8.339777 
1 1 1 -8  9   45 o 66.570  7.6573  563.632    121.433  0.0000     0.0000   563.632    121.433  ?       ?       66.570  7.6573  0.000000       7.657323 
1 1 1 -8  9   46 o 56.702  7.3231  410.109    98.398   828.363    229.671  316.078    108.899  77.877  12.584  48.845  9.5306  29.03202       15.78534 
1 1 1 -8  9   47 o 12.129  5.6538  -36.5662   40.729   4.7873     65.903   -62.1209   51.807   19.037  8.1121  12.852  6.1080  6.184476       10.15456 
1 1 1 -8  9   48 o 38.386  6.3190  188.605    56.807   158.310    84.371   213.727    76.831   34.371  9.6959  40.321  8.1337  -5.949867      12.65573 
1 1 1 -8  9   49 o 22.076  8.2455  49.662     59.374   -133.2291  185.750  70.475     62.662   25.611  11.983  24.490  8.5604  1.121670       14.72683 
1 1 1 -8  9   50 o 71.586  6.1973  644.427    106.584  831.969    269.292  609.591    116.061  75.512  15.223  69.276  7.0006  6.236031       16.75563 
1 1 1 -8  9   51 o 81.944  4.9483  832.905    97.925   775.001    128.141  914.192    151.825  78.267  6.8155  84.716  7.4623  -6.448471      10.10631 
1 1 1 -8  9   52 o 50.613  6.2186  324.821    74.763   235.780    93.535   482.356    124.414  41.867  9.4336  60.725  8.6918  -18.85756      12.82731 
1 1 1 -8  9   53 o 28.134  8.3036  104.043    60.581   159.511    74.520   -4.0557    104.031  34.447  8.8642  22.779  9.9493  11.66776       13.32522 
1 1 1 -8  10  1  o 549.443 15.210  36791.79   2027.73  39107.38   2881.95  34521.61   2853.55  565.308 21.010  530.875 22.153  34.43256       30.53174 
1 1 1 -8  10  2  o 306.196 6.4842  11383.94   481.745  11567.32   679.737  11198.87   682.854  308.530 9.0799  303.566 9.2707  4.963989       12.97650 
1 1 1 -8  10  3  o 659.838 12.899  52994.82   2065.23  53589.96   2919.37  52398.62   2921.97  662.467 18.162  655.010 18.385  7.457336       25.84303 
1 1 1 -8  10  4  o 753.276 14.613  69131.83   2670.90  70577.80   3776.22  67684.30   3778.24  759.567 20.489  743.698 20.938  15.86902       29.29501 
1 1 1 -8  10  5  o 311.488 6.5227  11781.14   492.987  11760.59   696.371  11801.79   698.009  311.084 9.2257  311.628 9.2312  -0.5440979     13.05102 
1 1 1 -8  10  6  o 479.723 9.5974  27972.09   1117.14  28110.27   1579.09  27833.64   1580.66  480.462 13.545  478.081 13.626  2.380615       19.21305 
1 1 1 -8  10  7  o 390.836 8.0017  18556.61   758.820  18473.33   1072.53  18640.08   1073.74  389.698 11.343  391.457 11.304  -1.758301      16.01401 
1 1 1 -8  10  8  o 144.271 4.0904  2526.06    143.189  2422.01    202.262  2630.60    202.738  141.241 5.9019  147.201 5.6762  -5.960602      8.188497 
1 1 1 -8  10  9  o 312.846 6.6756  11885.65   506.739  11556.74   716.665  12214.50   716.611  308.326 9.5795  316.996 9.3168  -8.670258      13.36297 
1 1 1 -8  10  10 o 145.648 4.0767  2574.60    144.071  2440.94    204.234  2706.99    203.264  141.786 5.9365  149.320 5.6102  -7.533813      8.168036 
1 1 1 -8  10  11 o 159.143 4.2331  3073.99    163.458  2933.70    230.523  3215.85    231.812  155.431 6.1124  162.740 5.8705  -7.308731      8.474953 
1 1 1 -8  10  12 o 586.958 11.666  41953.20   1661.44  41674.83   2349.78  42231.51   2349.49  583.901 16.585  587.817 16.473  -3.916626      23.37573 
1 1 1 -8  10  13 o 309.773 6.4637  11656.79   485.836  11435.08   686.772  11878.90   687.379  306.609 9.2313  312.517 9.0648  -5.908112      12.93785 
1 1 1 -8  10  14 o 343.585 7.2063  14348.74   600.774  14677.91   849.760  14019.78   849.484  347.192 10.087  339.290 10.319  7.901855       14.42985 
1 1 1 -8  10  15 o 79.543  3.6854  768.047    71.130   705.779    100.345  830.932    100.842  76.027  5.4762  82.559  5.0584  -6.532059      7.454956 
1 1 1 -8  10  16 o 182.411 4.4853  4040.99    198.523  3961.12    280.749  4120.85    280.758  180.503 6.4102  184.114 6.2847  -3.610840      8.977051 
1 1 1 -8  10  17 o 229.548 5.3656  6403.75    298.853  6502.72    423.067  6305.19    422.219  231.118 7.5442  227.570 7.6464  3.547943       10.74161 
1 1 1 -8  10  18 o 343.102 10.235  14384.93   852.032  14405.04   1179.72  14362.99   1231.88  342.206 14.208  341.483 14.867  0.7225037      20.56458 
1 1 1 -8  10  19 o 313.076 9.4478  11971.11   717.705  11738.66   989.180  12229.50   1042.93  309.046 13.191  315.303 13.632  -6.256989      18.96956 
1 1 1 -8  10  20 o 140.274 5.7422  2393.24    195.441  1909.82    252.367  3117.59    308.923  124.854 8.3790  159.914 7.9616  -35.06049      11.55828 
1 1 1 -8  10  21 o 278.981 6.2431  9470.19    422.607  9541.52    597.365  9398.72    597.949  279.624 8.8044  277.510 8.8802  2.114288       12.50503 
1 1 1 -8  10  22 o 348.240 7.3849  14773.03   624.007  15122.71   883.377  14424.77   881.583  351.645 10.353  343.373 10.581  8.271423       14.80376 
1 1 1 -8  10  23 o 78.794  3.8146  754.054    72.931   723.727    103.030  784.510    103.251  76.947  5.5557  80.151  5.3397  -3.203506      7.705688 
1 1 1 -8  10  24 o 192.231 4.9206  4491.55    229.514  4429.94    324.511  4553.22    324.653  190.724 7.0123  193.369 6.9194  -2.645340      9.851402 
1 1 1 -8  10  25 o 72.789  4.1833  645.805    73.573   675.090    102.256  614.373    105.937  74.280  5.7174  70.780  6.2319  3.499634       8.457292 
1 1 1 -8  10  26 o 235.730 5.4836  6758.70    313.649  6712.28    444.201  6804.85    442.935  234.616 7.8029  236.240 7.7272  -1.623810      10.98161 
1 1 1 -8  10  27 o 233.587 7.7521  6655.55    439.371  7130.72    659.826  6277.02    588.928  241.056 11.281  226.290 10.726  14.76617       15.56618 
1 1 1 -8  10  28 o 210.976 7.4976  5430.21    383.811  5148.84    580.418  5648.85    511.646  204.288 11.759  214.756 9.8188  -10.46815      15.31941 
1 1 1 -8  10  29 o 133.893 6.3808  2184.87    207.297  1860.05    331.838  2392.75    265.470  122.451 11.296  139.737 7.8616  -17.28618      13.76241 
1 1 1 -8  10  30 o 151.185 4.5390  2780.51    166.506  3932.22    327.404  2378.72    193.381  179.369 7.5227  139.727 5.7039  39.64182       9.440603 
1 1 1 -8  10  31 f 132.712 4.2112  2142.68    135.607  2062.87    191.357  2223.20    192.201  130.023 6.0654  135.006 5.8673  -4.983047      8.438842 
1 1 1 -8  10  32 o 128.035 4.1990  1995.36    130.449  1885.39    184.605  2105.04    184.362  124.228 6.1244  131.313 5.7863  -7.085838      8.425481 
1 1 1 -8  10  33 o 87.531  4.0567  932.876    86.157   932.184    120.340  933.604    123.407  87.159  5.7221  87.201  5.8666  -0.4147339E-01 8.195078 
1 1 1 -8  10  34 o 191.376 4.9103  4470.78    228.011  4702.09    325.016  4246.62    319.957  195.699 6.8447  185.897 7.0934  9.801178       9.857275 
1 1 1 -8  10  35 o 61.159  6.2411  463.550    91.319   463.550    91.319   0.0000     0.0000   61.159  6.2411  ?       ?       0.000000       6.241115 
1 1 1 -8  10  36 o 55.733  6.4708  386.889    85.877   386.889    85.877   0.0000     0.0000   55.733  6.4708  ?       ?       0.000000       6.470838 
1 1 1 -8  10  37 o 36.940  5.3290  170.557    46.383   135.837    65.606   205.256    65.586   32.454  8.2987  40.238  6.9701  -7.783688      10.83746 
1 1 1 -8  10  38 o 20.112  6.8662  46.131     40.217   14.367     58.349   74.879     55.510   18.967  7.8260  24.871  8.0558  -5.904123      11.23131 
1 1 1 -8  10  39 o 131.255 6.0292  2120.23    192.016  2265.50    244.266  1885.26    310.650  134.965 7.4883  121.558 10.639  13.40765       13.01054 
1 1 1 -8  10  40 o 56.516  5.9370  397.365    80.198   408.495    96.412   372.366    144.489  57.006  7.1258  53.008  11.560  3.998661       13.57949 
1 1 1 -8  10  41 o 11.098  5.1551  -29.2497   33.388   -87.8406   48.700   22.714     45.863   11.264  5.4914  17.957  7.1029  -6.693329      8.978110 
1 1 1 -8  10  42 o 49.977  5.1595  310.178    61.667   323.225    92.259   299.642    82.908   50.318  7.8098  48.572  7.2572  1.745323       10.66114 
1 1 1 -8  10  43 f 77.583  6.2503  750.513    116.663  0.0000     0.0000   750.513    116.663  ?       ?       77.583  6.2503  0.000000       6.250341 
1 1 1 -8  10  44 o 101.041 6.0989  1270.97    148.824  0.0000     0.0000   1270.97    148.824  ?       ?       101.041 6.0989  0.000000       6.098881 
1 1 1 -8  10  45 o 32.083  8.5819  135.568    68.111   -177.2554  193.138  179.998    72.787   25.264  11.943  36.999  8.3109  -11.73495      14.55045 
1 1 1 -8  10  46 o 38.349  8.4944  194.343    76.958   65.267     204.474  215.645    83.066   33.868  14.355  40.361  8.7355  -6.493221      16.80434 
1 1 1 -8  10  47 o 50.570  5.1796  319.721    62.658   277.079    89.280   361.111    87.960   45.982  8.3077  53.167  6.9875  -7.184555      10.85561 
1 1 1 -8  10  48 o 87.842  4.4617  953.098    94.784   498.705    132.640  1427.27    135.496  61.583  9.1552  107.328 5.2029  -45.74464      10.53032 
1 1 1 -8  10  49 o 45.543  7.4825  268.575    79.814   174.087    209.525  284.613    86.322   38.786  15.233  46.757  7.8895  -7.971512      17.15439 
1 1 1 -8  10  50 o 17.512  7.0727  18.922     46.443   22.174     71.638   16.565     60.998   20.984  8.6660  19.262  7.9790  1.722744       11.77983 
1 1 1 -8  10  51 o 23.734  8.3883  65.115     60.280   89.330     73.500   15.360     105.357  27.026  9.2811  24.059  10.255  2.967333       13.83100 
1 1 1 -8  10  52 o 35.700  7.7570  168.252    65.273   193.360    80.475   119.970    111.595  37.953  8.8940  31.393  11.376  6.559658       14.43974 
1 1 1 -8  11  1  o 218.304 5.0694  5784.72    268.522  5680.48    378.305  5890.56    381.205  216.271 7.2091  220.237 7.1335  -3.965149      10.14190 
1 1 1 -8  11  2  o 164.199 4.2952  3272.19    171.127  3396.24    240.770  3145.55    243.270  167.255 5.9328  160.958 6.2289  6.297043       8.602191 
1 1 1 -8  11  3  o 398.883 8.0886  19328.60   782.854  19800.40   1105.79  18854.51   1108.46  403.468 11.295  393.684 11.604  9.783173       16.19377 
1 1 1 -8  11  4  o 374.703 7.8035  17054.98   709.481  17117.53   1002.26  16992.16   1004.46  375.158 11.010  373.776 11.075  1.381805       15.61702 
1 1 1 -8  11  5  o 257.279 5.7416  8036.00    358.425  7903.97    506.010  8168.94    507.773  255.067 8.1760  259.311 8.0702  -4.244797      11.48805 
1 1 1 -8  11  6  o 360.555 7.3467  15789.79   642.726  15809.38   908.133  15770.13   909.772  360.573 10.380  360.122 10.412  0.4504089      14.70184 
1 1 1 -8  11  7  o 273.714 6.0150  9096.46    399.481  9389.18    564.213  8802.21    565.691  277.980 8.3650  269.136 8.6625  8.844238       12.04211 
1 1 1 -8  11  8  o 737.452 14.341  66288.67   2566.05  65945.91   3628.35  66631.67   3629.54  733.794 20.378  737.633 20.279  -3.839294      28.74930 
1 1 1 -8  11  9  o 603.401 11.875  44322.05   1738.66  44080.25   2458.54  44563.97   2459.14  600.719 16.867  604.028 16.779  -3.308472      23.79138 
1 1 1 -8  11  10 o 189.035 4.6169  4337.67    211.764  4517.43    299.273  4157.40    299.686  192.863 6.3952  185.010 6.6759  7.853653       9.244778 
1 1 1 -8  11  11 o 358.009 7.4708  15574.35   648.969  15798.42   918.108  15350.60   917.455  360.297 10.502  355.138 10.647  5.158600       14.95483 
1 1 1 -8  11  12 f 439.229 8.8066  23463.15   938.563  23569.58   1327.56  23356.81   1327.10  439.685 12.444  437.687 12.496  1.998169       17.63514 
1 1 1 -8  11  13 o 356.125 7.4593  15418.31   644.566  15389.97   911.776  15446.63   911.332  355.428 10.572  356.085 10.548  -0.6571045     14.93418 
1 1 1 -8  11  14 o 170.618 4.5076  3534.89    186.611  3507.27    263.801  3562.55    264.015  169.873 6.4001  171.209 6.3553  -1.335663      9.019510 
1 1 1 -8  11  15 o 109.143 3.7105  1446.24    98.264   1447.82    140.074  1444.71    137.884  109.162 5.2883  109.047 5.2112  0.1150284      7.424479 
1 1 1 -8  11  16 o 254.263 5.6628  7858.74    349.366  7946.52    494.440  7771.21    493.718  255.432 7.9776  252.589 8.0556  2.843002       11.33736 
1 1 1 -8  11  17 o 262.408 8.3271  8394.21    530.195  8641.73    728.120  8114.83    773.557  265.713 11.293  257.254 12.393  8.459076       16.76669 
1 1 1 -8  11  18 o 367.558 10.867  16537.06   969.172  16621.69   1346.27  16446.02   1396.33  366.976 15.119  364.755 15.777  2.220673       21.85187 
1 1 1 -8  11  19 o 179.305 6.5580  3913.57    285.316  3908.00    377.095  3921.03    436.355  178.953 8.6846  178.789 10.100  0.1636353      13.32026 
1 1 1 -8  11  20 f 148.350 4.1838  2673.58    150.598  2556.22    210.899  2795.69    215.119  144.956 5.9962  151.604 5.8480  -6.648193      8.375735 
1 1 1 -8  11  21 o 343.500 7.3273  14373.40   610.707  14082.97   863.596  14663.92   863.744  339.287 10.490  346.271 10.280  -6.984406      14.68762 
1 1 1 -8  11  22 o 153.306 4.3585  2855.51    162.127  2813.14    227.634  2899.13    230.966  152.053 6.1699  154.360 6.1667  -2.306732      8.723265 
1 1 1 -8  11  23 o 149.915 4.3563  2730.68    158.462  2677.35    224.552  2783.58    223.649  148.329 6.2392  151.253 6.0939  -2.924561      8.721431 
1 1 1 -8  11  24 o 60.287  4.5044  444.124    65.416   382.527    91.144   509.562    93.943   55.624  6.9014  64.428  6.0812  -8.804585      9.198368 
1 1 1 -8  11  25 o 186.668 4.8070  4235.65    217.725  4164.87    308.548  4305.86    307.276  184.913 6.8769  188.032 6.7349  -3.119125      9.625530 
1 1 1 -8  11  26 o 123.258 6.1272  1849.40    183.249  1957.77    295.071  1781.37    233.800  126.131 9.7162  120.560 8.0385  5.571640       12.61040 
1 1 1 -8  11  27 o 239.084 8.2624  6981.46    479.315  6070.33    715.589  7722.89    645.521  221.356 13.386  250.917 10.603  -29.56085      17.07648 
1 1 1 -8  11  28 o 249.934 8.2665  7635.81    501.315  7568.00    746.948  7691.39    676.247  247.336 12.487  250.075 11.145  -2.739182      16.73682 
1 1 1 -8  11  29 o 117.234 4.1454  1671.08    117.920  1633.47    166.241  1709.18    167.291  115.622 5.9457  118.437 5.8213  -2.814178      8.321042 
1 1 1 -8  11  30 o 117.085 4.1207  1667.47    117.068  1541.37    164.447  1797.04    166.693  112.241 6.0607  121.409 5.6585  -9.168633      8.291619 
1 1 1 -8  11  31 o 184.039 4.8460  4126.69    216.400  4165.60    306.248  4087.88    305.826  184.516 6.8403  182.774 6.8960  1.742142       9.713107 
1 1 1 -8  11  32 o 146.252 4.4491  2606.03    157.883  2611.44    223.259  2600.63    223.302  146.094 6.2982  145.788 6.3126  0.3055573      8.917146 
1 1 1 -8  11  33 o 66.955  4.1334  548.259    66.823   507.679    96.760   585.260    92.394   64.070  6.3058  68.969  5.5686  -4.898567      8.412631 
1 1 1 -8  11  34 o 113.739 5.9035  1589.29    162.363  1589.29    162.363  0.0000     0.0000   113.739 5.9035  ?       ?       0.000000       5.903522 
1 1 1 -8  11  35 o 66.116  6.1145  541.123    96.982   541.123    96.982   0.0000     0.0000   66.116  6.1145  ?       ?       0.000000       6.114541 
1 1 1 -8  11  36 o 42.732  4.8663  226.197    49.555   231.294    70.365   221.181    69.802   42.761  7.0259  41.768  7.1444  0.9934845      10.02022 
1 1 1 -8  11  37 o 82.854  4.0665  838.045    81.752   819.566    117.872  855.173    113.482  81.424  6.0086  83.271  5.6500  -1.847153      8.247745 
1 1 1 -8  11  38 o 62.867  5.7525  489.655    86.776   463.487    105.346  544.888    153.046  60.766  7.2904  65.073  10.014  -4.307655      12.38668 
1 1 1 -8  11  39 o 106.924 5.7626  1410.22    148.954  1472.07    185.687  1298.58    249.467  108.804 7.0719  100.765 10.350  8.038773       12.53558 
1 1 1 -8  11  40 o 51.783  6.2502  335.558    76.944   411.567    92.086   159.736    140.055  57.288  6.7546  36.476  12.795  20.81209       14.46880 
1 1 1 -8  11  41 o 89.931  4.5852  993.822    99.722   1065.29    144.105  928.148    138.140  92.550  6.4576  86.294  6.6487  6.256027       9.268509 
1 1 1 -8  11  42 o 61.297  4.9328  464.735    72.745   515.468    106.488  420.345    99.610   63.994  6.9708  57.618  7.2879  6.375484       10.08488 
1 1 1 -8  11  43 o 26.202  8.7358  83.583     65.091   0.0000     0.0000   83.583     65.091   ?       ?       26.202  8.7358  0.000000       8.735761 
1 1 1 -8  11  44 o 43.438  8.1472  245.717    82.716   332.775    205.286  228.843    90.377   48.302  15.476  41.551  9.2064  6.751305       18.00731 
1 1 1 -8  11  45 o 46.874  7.7240  284.265    84.789   57.063     211.353  327.844    92.564   33.960  14.501  50.373  7.8273  -16.41268      16.47849 
1 1 1 -8  11  46 o 30.617  7.1314  122.605    51.993   143.650    75.926   104.022    71.347   32.844  9.1742  28.498  9.1228  4.346474       12.93801 
1 1 1 -8  11  47 o 64.190  4.8123  511.754    74.406   610.282    105.769  415.223    104.692  69.566  6.3355  56.692  7.8189  12.87440       10.06349 
1 1 1 -8  11  48 o 29.396  8.6263  113.549    65.547   -102.2501  206.310  137.778    69.129   28.009  12.941  32.187  8.6612  -4.177368      15.57232 
1 1 1 -8  11  49 f 133.162 6.0036  2212.26    193.979  2349.05    247.308  1993.56    312.715  135.972 7.5252  122.524 10.624  13.44743       13.01905 
1 1 1 -8  11  50 o 74.364  5.2593  688.977    94.285   552.095    122.290  889.606    148.052  65.460  7.8563  83.541  7.3797  -18.08138      10.77877 
1 1 1 -8  11  51 o 21.414  8.2523  42.244     60.593   0.0396     73.780   129.691    106.201  19.646  8.4806  31.974  11.146  -12.32786      14.00574 
1 1 1 -8  11  52 o 35.827  9.0924  173.852    79.174   172.112    85.916   183.650    203.898  35.514  9.6974  38.417  15.045  -2.902546      17.89924 
1 1 1 -8  12  1  o 202.893 4.7067  4996.53    231.713  5190.76    326.327  4799.02    329.072  206.756 6.5048  198.793 6.8222  7.963455       9.426289 
1 1 1 -8  12  2  o 281.334 6.0777  9609.77    414.885  10119.08   584.917  9094.08    588.573  288.594 8.3530  273.562 8.8671  15.03174       12.18187 
1 1 1 -8  12  3  o 412.588 8.4037  20683.13   841.297  21318.91   1188.26  20044.12   1191.29  418.589 11.699  405.840 12.098  12.74841       16.82931 
1 1 1 -8  12  4  o 402.279 8.1874  19661.49   799.163  19535.17   1128.98  19788.37   1131.40  400.693 11.612  403.286 11.562  -2.593384      16.38670 
1 1 1 -8  12  5  o 653.953 12.873  52072.97   2042.69  52960.37   2887.75  51184.29   2889.84  658.337 18.078  647.120 18.405  11.21771       25.79801 
1 1 1 -8  12  6  o 436.185 8.6721  23121.75   917.822  22951.17   1297.10  23292.81   1298.90  434.196 12.312  437.425 12.238  -3.228729      17.35938 
1 1 1 -8  12  7  o 376.825 7.6786  17251.33   702.080  17107.93   992.046  17395.21   993.739  374.989 10.903  378.131 10.831  -3.142365      15.36835 
1 1 1 -8  12  8  o 261.639 5.8927  8312.26    374.094  8360.61    528.252  8263.62    529.848  262.287 8.3004  260.757 8.3744  1.529968       11.79099 
1 1 1 -8  12  9  o 177.027 4.4012  3803.99    189.048  3777.12    266.512  3831.19    268.204  176.354 6.2283  177.612 6.2234  -1.257874      8.804655 
1 1 1 -8  12  10 o 195.743 4.7237  4651.52    224.352  4806.23    316.971  4496.21    317.595  198.911 6.5675  192.380 6.8038  6.531174       9.456372 
1 1 1 -8  12  11 o 335.257 6.9571  13658.12   565.938  13768.79   800.450  13547.50   800.266  336.345 9.8081  333.622 9.8859  2.722351       13.92587 
1 1 1 -8  12  12 o 377.747 7.6632  17351.05   702.381  17485.21   993.595  17217.04   993.040  378.777 10.811  375.849 10.889  2.928253       15.34426 
1 1 1 -8  12  13 o 205.171 4.8424  5112.47    241.066  5043.62    340.665  5181.53    341.173  203.672 6.8934  206.443 6.8110  -2.770981      9.690623 
1 1 1 -8  12  14 o 165.624 4.4021  3331.49    176.909  3349.73    250.257  3313.26    250.117  165.991 6.2135  165.083 6.2442  0.9077454      8.808940 
1 1 1 -8  12  15 o 280.737 6.0941  9583.94    415.116  9324.43    587.096  9843.39    587.031  276.569 8.7487  284.197 8.5129  -7.628235      12.20691 
1 1 1 -8  12  16 o 168.284 6.3507  3445.56    259.316  3648.97    347.257  3189.15    389.891  173.008 8.2722  161.256 10.014  11.75255       12.98896 
1 1 1 -8  12  17 o 53.433  5.8759  351.460    74.922   330.841    91.796   392.603    129.667  51.568  7.5609  55.858  9.9311  -4.289913      12.48173 
1 1 1 -8  12  18 o 217.049 7.1500  5738.51    376.553  5371.94    511.132  6173.59    556.852  209.592 10.051  224.657 10.215  -15.06557      14.33077 
1 1 1 -8  12  19 o 319.537 6.8759  12432.74   533.108  12728.73   753.985  12136.83   753.872  322.752 9.6279  315.104 9.8601  7.648438       13.78102 
1 1 1 -8  12  20 o 163.679 4.4302  3255.20    175.946  3292.36    247.262  3217.09    250.418  164.492 6.1951  162.589 6.3476  1.902908       8.869724 
1 1 1 -8  12  21 o 276.438 6.0977  9297.80    409.003  9287.79    578.023  9307.83    578.812  275.890 8.6347  276.187 8.6371  -0.2970276     12.21302 
1 1 1 -8  12  22 o 179.874 4.7586  3932.33    207.688  3861.28    292.849  4004.23    294.590  178.078 6.7775  181.353 6.6947  -3.274506      9.526444 
1 1 1 -8  12  23 o 128.150 4.2920  1995.38    133.458  1970.77    188.863  2019.92    188.612  127.259 6.1164  128.842 6.0332  -1.582130      8.591264 
1 1 1 -8  12  24 o 61.785  4.5267  466.420    67.391   503.161    95.684   430.255    94.931   63.993  6.2418  59.058  6.7457  4.934826       9.190464 
1 1 1 -8  12  25 o 30.377  10.364  104.004    91.632   201.459    177.708  68.708     106.946  42.102  14.433  28.693  10.987  13.40908       18.13893 
1 1 1 -8  12  26 o 257.152 8.5151  8079.90    531.308  7714.53    790.694  8380.67    717.406  249.741 13.094  261.185 11.320  -11.44440      17.30888 
1 1 1 -8  12  27 o 277.152 8.8490  9399.25    595.084  9554.24    882.440  9269.99    805.908  278.026 13.081  274.220 12.112  3.805725       17.82734 
1 1 1 -8  12  28 o 287.418 6.3919  10073.92   445.768  10033.32   632.094  10114.08   628.743  286.083 9.1060  287.260 9.0206  -1.177032      12.81752 
1 1 1 -8  12  29 o 121.912 4.2277  1807.98    125.059  1655.33    178.422  1955.39    175.338  116.287 6.3474  126.646 5.7059  -10.35861      8.535006 
1 1 1 -8  12  30 o 98.484  4.1290  1180.27    98.668   1177.79    139.328  1182.76    139.748  98.055  5.8833  98.261  5.8885  -0.2064133     8.323916 
1 1 1 -8  12  31 o 102.051 4.1849  1268.16    103.625  1251.54    147.109  1284.52    145.993  101.005 6.0300  102.355 5.9034  -1.349815      8.438710 
1 1 1 -8  12  32 o 96.553  4.1141  1135.73    96.385   1031.86    135.436  1242.33    137.199  91.601  6.1289  100.645 5.6409  -9.043556      8.329654 
1 1 1 -8  12  33 o 54.834  6.6790  374.621    87.028   374.621    87.028   0.0000     0.0000   54.834  6.6790  ?       ?       0.000000       6.678982 
1 1 1 -8  12  34 o 29.127  8.4778  107.449    63.541   107.449    63.541   0.0000     0.0000   29.127  8.4778  ?       ?       0.000000       8.477781 
1 1 1 -8  12  35 o 42.116  4.9812  220.017    49.917   230.664    71.993   210.159    69.273   42.660  7.2123  40.658  7.2897  2.001736       10.25462 
1 1 1 -8  12  36 o 16.931  6.5540  22.911     38.351   76.065     58.582   -16.9552   50.734   25.191  8.2822  15.373  6.8215  9.818212       10.72977 
1 1 1 -8  12  37 o 43.441  4.8330  233.838    50.079   166.450    72.975   293.820    68.849   35.834  8.5182  48.520  5.9743  -12.68591      10.40443 
1 1 1 -8  12  38 o 28.918  8.0467  107.314    58.527   120.634    69.050   73.329     110.296  30.661  8.8128  28.730  11.116  1.930471       14.18594 
1 1 1 -8  12  39 o 70.369  5.7817  613.643    97.846   648.448    117.785  536.138    175.763  72.062  6.8173  63.668  11.812  8.394218       13.63843 
1 1 1 -8  12  40 o 121.791 4.4604  1816.97    131.812  2023.39    193.426  1638.00    180.108  127.940 6.2308  114.852 6.4895  13.08810       8.996440 
1 1 1 -8  12  41 o 60.069  5.0124  446.617    72.389   409.975    105.652  479.039    99.382   56.703  7.8932  61.748  6.7428  -5.045551      10.38111 
1 1 1 -8  12  42 o 81.831  6.4709  837.368    127.435  0.0000     0.0000   837.368    127.435  ?       ?       81.831  6.4709  0.000000       6.470881 
1 1 1 -8  12  43 o 65.687  7.8648  551.257    122.859  0.0000     0.0000   551.257    122.859  ?       ?       65.687  7.8648  0.000000       7.864806 
1 1 1 -8  12  44 o 61.215  7.0635  476.233    102.992  773.651    233.328  404.263    114.778  74.489  13.402  55.650  8.7922  18.83875       16.02894 
1 1 1 -8  12  45 o 21.971  7.5905  56.462     49.198   61.316     71.473   52.090     67.823   24.245  9.0484  23.087  8.7711  1.157370       12.60182 
1 1 1 -8  12  46 o 42.795  5.5514  231.147    56.286   190.337    79.724   271.706    79.478   37.746  8.8571  45.826  7.3999  -8.080120      11.54154 
1 1 1 -8  12  47 o 50.366  7.1503  325.966    84.929   296.961    243.523  329.983    90.619   45.583  16.760  50.491  7.6352  -4.907543      18.41746 
1 1 1 -8  12  48 o 42.569  5.7082  229.250    57.474   212.252    83.694   244.420    79.066   39.887  8.8763  43.261  7.8201  -3.373753      11.82975 
1 1 1 -8  12  49 o 46.837  5.6052  276.435    62.435   267.721    88.621   285.023    87.976   45.090  8.4095  46.700  8.0550  -1.610325      11.64484 
1 1 1 -8  12  50 o 45.795  6.6934  268.894    72.179   396.976    89.422   29.418     122.274  55.784  6.7434  26.284  11.119  29.49954       13.00386 
1 1 1 -8  12  51 o 54.749  6.2801  381.149    81.918   384.864    105.277  375.447    130.418  54.143  8.2764  52.241  10.650  1.902763       13.48776 
1 1 1 -8  13  1  o 502.773 10.037  30734.71   1224.43  29784.83   1729.71  31688.76   1733.51  494.368 14.420  509.988 14.009  -15.62042      20.10415 
1 1 1 -8  13  2  o 329.952 6.9577  13222.05   557.029  13174.52   786.071  13269.99   789.457  329.182 9.8415  330.372 9.8483  -1.190033      13.92278 
1 1 1 -8  13  3  o 836.662 16.328  85434.40   3314.72  84356.64   4685.94  86513.81   4689.50  828.810 23.301  839.460 23.023  -10.65057      32.75676 
1 1 1 -8  13  4  o 186.534 4.4718  4223.27    202.398  4119.47    285.016  4328.87    287.466  184.183 6.3776  188.809 6.2748  -4.626022      8.946885 
1 1 1 -8  13  5  o 740.618 14.512  66881.43   2607.89  67141.21   3687.02  66621.34   3689.21  740.200 20.529  737.295 20.622  2.904724       29.09793 
1 1 1 -8  13  6  o 141.072 4.0662  2415.42    139.184  2435.02    196.528  2395.70    197.144  141.614 5.7194  140.465 5.7843  1.149521       8.134517 
1 1 1 -8  13  7  o 239.013 5.4510  6936.17    316.128  6894.47    446.285  6978.17    447.864  238.199 7.7216  239.642 7.7023  -1.442474      10.90636 
1 1 1 -8  13  8  o 238.635 5.4566  6914.69    315.950  6834.76    446.020  6995.20    447.626  237.150 7.7512  239.920 7.6893  -2.770462      10.91814 
1 1 1 -8  13  9  o 108.888 3.7705  1439.09    99.619   1444.36    140.309  1433.73    141.462  109.063 5.3020  108.660 5.3655  0.4032745      7.543191 
1 1 1 -8  13  10 o 144.883 4.1638  2548.23    146.377  2450.96    206.535  2646.40    207.484  142.045 5.9925  147.605 5.7932  -5.560867      8.334910 
1 1 1 -8  13  11 o 91.554  3.7236  1017.50    82.719   968.511    117.496  1065.65    116.477  89.126  5.4595  93.529  5.1524  -4.402374      7.506875 
1 1 1 -8  13  12 o 335.550 7.1437  13693.52   581.626  13722.34   822.881  13664.75   822.206  335.490 10.109  334.783 10.122  0.7068787      14.30502 
1 1 1 -8  13  13 o 284.361 6.0922  9830.68    420.346  9759.04    594.467  9902.31    594.451  283.022 8.6565  285.101 8.5932  -2.078766      12.19746 
1 1 1 -8  13  14 o 213.465 5.1097  5537.63    264.659  5454.73    374.386  5620.44    374.184  211.676 7.2893  214.878 7.1767  -3.202698      10.22933 
1 1 1 -8  13  15 o 290.108 9.1389  10272.75   643.308  11111.66   886.248  9338.44    935.282  301.028 12.133  275.124 14.057  25.90411       18.56958 
1 1 1 -8  13  16 o 141.696 5.8320  2442.35    200.511  2311.96    263.556  2621.52    308.954  137.481 7.9344  146.303 8.7432  -8.821747      11.80669 
1 1 1 -8  13  17 o 310.855 9.4900  11807.88   715.794  11932.36   988.297  11670.53   1038.11  311.488 13.076  307.781 13.901  3.706818       19.08450 
1 1 1 -8  13  18 o 201.577 4.9970  4939.35    244.410  4853.96    346.107  5024.29    345.190  199.622 7.1456  203.111 7.0043  -3.488235      10.00594 
1 1 1 -8  13  19 o 115.487 3.9480  1620.07    110.629  1589.62    156.905  1650.17    156.006  114.324 5.6564  116.487 5.5195  -2.163895      7.903112 
1 1 1 -8  13  20 o 180.279 4.7068  3949.85    205.887  3832.96    289.788  4069.00    292.570  177.430 6.7312  182.824 6.5953  -5.394501      9.423692 
1 1 1 -8  13  21 o 210.032 5.1609  5363.31    263.011  5279.35    370.945  5448.18    372.970  208.154 7.3445  211.466 7.2689  -3.311508      10.33336 
1 1 1 -8  13  22 f 286.692 6.3418  10004.73   441.155  9886.51    624.735  10122.32   623.044  284.506 9.0498  287.906 8.9187  -3.400787      12.70604 
1 1 1 -8  13  23 o 55.569  5.0128  378.473    66.861   417.839    88.369   325.764    102.254  58.243  6.3563  50.975  8.5713  7.267506       10.67099 
1 1 1 -8  13  24 o 198.180 7.2559  4787.78    348.909  4547.90    532.279  4968.51    462.011  192.134 11.470  201.551 9.4472  -9.416855      14.85960 
1 1 1 -8  13  25 f 92.369  6.5822  1044.73    146.557  285.452    260.623  1395.87    177.235  50.189  17.463  106.797 6.8761  -56.60748      18.76805 
1 1 1 -8  13  26 o 258.690 8.5295  8183.77    535.390  7991.84    799.596  8339.74    720.828  253.990 13.018  260.330 11.412  -6.340042      17.31177 
1 1 1 -8  13  27 o 183.206 4.7613  4083.66    211.656  4044.50    301.135  4121.89    297.552  182.055 6.8170  183.811 6.6716  -1.756058      9.538424 
1 1 1 -8  13  28 o 221.354 5.3693  5969.84    288.382  5962.84    409.634  5976.71    406.056  220.741 7.6480  221.017 7.5718  -0.2755280     10.76213 
1 1 1 -8  13  29 o 251.639 5.7919  7727.65    353.639  7793.10    501.641  7662.98    498.615  251.959 8.2054  249.839 8.2251  2.119278       11.61812 
1 1 1 -8  13  30 o 49.500  4.9944  301.798    59.166   325.545    81.254   274.995    86.325   51.137  6.7105  46.688  7.9021  4.448898       10.36700 
1 1 1 -8  13  31 o 11.565  5.4289  -40.4856   38.661   -48.0679   48.252   -26.8899   64.612   13.040  6.1031  17.054  7.6242  -4.014333      9.766079 
1 1 1 -8  13  32 o 65.407  4.2550  523.820    67.161   491.307    98.639   551.919    91.701   62.931  6.5561  66.908  5.7030  -3.976677      8.689427 
1 1 1 -8  13  33 o 109.353 6.0773  1472.08    160.616  1472.08    160.616  0.0000     0.0000   109.353 6.0773  ?       ?       0.000000       6.077329 
1 1 1 -8  13  34 f 112.003 6.1010  1546.16    165.178  1546.16    165.178  0.0000     0.0000   112.003 6.1010  ?       ?       0.000000       6.100962 
1 1 1 -8  13  35 o 77.965  4.1343  744.276    77.931   798.605    112.362  693.916    108.180  80.422  5.7970  74.888  6.0039  5.533966       8.345817 
1 1 1 -8  13  36 f 73.646  4.2419  664.896    75.481   688.465    110.172  644.048    103.620  74.528  6.1473  72.110  5.9761  2.417564       8.573345 
1 1 1 -8  13  37 o 10.531  5.1275  -74.7048   42.059   -103.4019  48.342   14.670     85.312   10.646  5.2469  22.345  9.3608  -11.69921      10.73103 
1 1 1 -8  13  38 o 24.898  8.2075  74.560     57.516   50.650     66.066   149.419    116.899  23.063  8.6813  34.805  11.707  -11.74178      14.57463 
1 1 1 -8  13  39 o 129.430 4.4000  2051.42    138.182  2086.64    199.311  2018.82    191.747  129.896 6.3237  127.822 6.1824  2.074806       8.843724 
1 1 1 -8  13  40 o 69.604  4.8133  597.726    80.790   617.249    116.016  579.344    112.572  70.131  6.9074  67.917  6.9281  2.214226       9.783207 
1 1 1 -8  13  41 o 84.084  6.6519  885.096    134.605  0.0000     0.0000   885.096    134.605  ?       ?       84.084  6.6519  0.000000       6.651877 
1 1 1 -8  13  42 o 22.906  8.4146  55.142     61.364   0.0000     0.0000   55.142     61.364   ?       ?       22.906  8.4146  0.000000       8.414645 
1 1 1 -8  13  43 o 99.420  6.5616  1240.47    157.398  1175.54    302.579  1264.56    184.296  91.628  14.059  99.784  7.6706  -8.156303      16.01498 
1 1 1 -8  13  44 o 43.859  8.2520  252.356    84.595   465.579    212.588  212.241    92.210   56.102  15.227  39.693  9.6645  16.40928       18.03524 
1 1 1 -8  13  45 o 31.787  6.8648  131.736    51.398   162.858    77.365   107.145    68.769   34.861  9.0623  28.722  8.9256  6.138664       12.71977 
1 1 1 -8  13  46 o 73.278  4.6323  665.439    81.939   706.075    116.710  625.939    115.066  74.748  6.4996  70.196  6.8427  4.552010       9.437577 
1 1 1 -8  13  47 o 16.381  7.1902  -9.8642    54.934   42.617     199.549  -14.1677   57.142   32.354  13.957  16.427  7.2668  15.92651       15.73526 
1 1 1 -8  13  48 o 7.9580  3.9818  -88.9354   32.308   -143.7507  56.260   -61.9628   39.465   10.728  5.3505  10.512  5.0819  0.2163610      7.379251 
1 1 1 -8  13  49 o 25.150  8.2927  78.945     58.715   102.169    70.418   25.966     106.357  28.186  9.0675  24.709  10.407  3.476938       13.80274 
1 1 1 -8  13  50 o 31.360  8.4076  131.362    65.283   145.248    79.853   103.376    113.365  32.822  9.4897  30.161  11.368  2.661072       14.80850 
1 1 1 -8  14  1  o 458.278 9.1044  25528.81   1012.39  26262.75   1429.95  24791.20   1433.52  464.397 12.690  451.145 13.096  13.25275       18.23552 
1 1 1 -8  14  2  o 452.185 9.1028  24855.54   998.750  25077.50   1410.67  24632.46   1414.22  453.762 12.813  449.697 12.961  4.064789       18.22484 
1 1 1 -8  14  3  o 681.223 13.334  56545.50   2204.04  57239.88   3115.19  55849.54   3118.77  683.940 18.772  675.503 19.028  8.436768       26.72897 
1 1 1 -8  14  4  o 425.662 8.6850  22023.92   897.013  22268.63   1267.01  21778.01   1270.14  427.621 12.211  422.862 12.379  4.758911       17.38829 
1 1 1 -8  14  5  o 345.573 7.2854  14508.67   610.879  14947.20   862.880  14068.04   864.951  350.524 10.145  340.028 10.484  10.49628       14.58890 
1 1 1 -8  14  6  o 522.468 10.331  33217.23   1309.65  33525.52   1851.15  32908.30   1853.09  524.109 14.557  519.229 14.709  4.879517       20.69390 
1 1 1 -8  14  7  o 207.692 5.0063  5237.27    252.290  5537.22    355.997  4934.62    357.593  213.484 6.8725  201.514 7.3134  11.97012       10.03582 
1 1 1 -8  14  8  f 241.361 5.4257  7074.57    317.749  7374.91    448.520  6771.96    450.216  246.319 7.5045  236.013 7.8618  10.30569       10.86850 
1 1 1 -8  14  9  o 314.556 6.6675  12024.61   508.889  12387.21   718.791  11660.22   720.567  319.008 9.2862  309.471 9.5960  9.537201       13.35352 
1 1 1 -8  14  10 f 422.744 8.6039  21752.74   882.541  21735.28   1247.28  21770.24   1248.92  421.880 12.185  422.218 12.191  -0.3377686     17.23605 
1 1 1 -8  14  11 o 244.069 5.6441  7238.82    334.250  7284.46    472.249  7193.01    473.153  244.640 7.9557  243.093 8.0217  1.547058       11.29782 
1 1 1 -8  14  12 o 86.235  3.7045  902.936    77.514   856.975    109.119  949.752    110.129  83.801  5.3952  88.258  5.1651  -4.457428      7.469035 
1 1 1 -8  14  13 o 177.030 6.3723  3812.58    273.719  3641.54    367.905  4024.62    409.646  172.575 8.8154  181.364 9.3405  -8.789032      12.84356 
1 1 1 -8  14  14 o 226.666 7.3336  6258.32    403.339  5660.07    547.732  6967.01    596.153  215.107 10.494  238.690 10.293  -23.58305      14.69977 
1 1 1 -8  14  15 o 97.458  5.5039  1158.76    129.620  1142.68    163.767  1185.72    212.083  96.605  7.0349  98.137  9.0070  -1.531960      11.42873 
1 1 1 -8  14  16 o 153.397 6.0570  2863.26    225.445  2655.17    295.553  3152.83    348.637  147.295 8.3034  160.433 8.9923  -13.13806      12.23960 
1 1 1 -8  14  17 o 56.301  4.0982  387.111    55.600   399.848    80.697   375.600    76.715   57.025  5.9183  55.264  5.8079  1.760479       8.292043 
1 1 1 -8  14  18 o 133.924 4.1150  2178.89    133.720  2312.10    189.738  2047.43    188.486  137.874 5.6716  129.723 5.9882  8.150284       8.247808 
1 1 1 -8  14  19 o 320.268 6.8361  12490.60   531.235  12493.60   752.024  12487.62   750.539  319.704 9.6944  319.632 9.6774  0.7229614E-01  13.69792 
1 1 1 -8  14  20 o 338.616 7.2281  13969.96   593.879  14136.11   840.893  13804.62   838.855  339.911 10.196  335.875 10.293  4.036346       14.48783 
1 1 1 -8  14  21 o 35.353  6.4434  156.878    53.235   113.558    66.244   235.867    89.450   30.148  8.6218  43.176  8.8361  -13.02731      12.34552 
1 1 1 -8  14  22 o 177.093 4.6719  3812.09    200.753  3477.35    281.453  4158.76    286.426  168.953 6.8656  184.818 6.3871  -15.86456      9.377169 
1 1 1 -8  14  23 o 278.869 8.9977  9505.40    608.826  8942.25    896.654  9987.13    829.304  268.804 13.794  285.028 11.991  -16.22382      18.27742 
1 1 1 -8  14  24 o 104.817 6.0830  1342.29    154.042  1330.10    256.197  1349.20    192.782  103.660 10.323  104.879 7.6278  -1.218948      12.83559 
1 1 1 -8  14  25 o 384.542 11.523  18203.28   1075.14  18106.30   1559.10  18291.21   1484.60  380.368 16.893  382.923 15.978  -2.554626      23.25256 
1 1 1 -8  14  26 o 273.605 6.0985  9124.44    404.866  9388.75    574.340  8863.37    570.809  276.919 8.5477  269.003 8.7452  7.916779       12.22877 
1 1 1 -8  14  27 o ?       ?       -181.5981  33.636   -147.2388  41.605   -246.4359  57.153   8.2368  4.1686  ?       ?       0.000000       4.168560 
1 1 1 -8  14  28 o 191.952 5.0172  4489.82    233.677  4628.20    332.189  4354.27    328.777  194.475 7.0397  188.598 7.1846  5.876755       10.05862 
1 1 1 -8  14  29 o 66.007  4.4635  533.154    71.068   503.000    98.839   565.430    102.258  63.794  6.4751  67.707  6.2966  -3.912678      9.031780 
1 1 1 -8  14  30 o 27.301  7.2680  94.786     48.999   110.282    65.646   75.293     73.630   29.590  8.6183  26.271  9.2722  3.319069       12.65897 
1 1 1 -8  14  31 f 59.681  4.4052  436.785    63.341   408.910    93.129   460.778    86.404   57.294  6.8339  61.055  5.9062  -3.760914      9.032417 
1 1 1 -8  14  32 o 63.174  6.2260  494.656    94.194   494.656    94.194   0.0000     0.0000   63.174  6.2260  ?       ?       0.000000       6.225988 
1 1 1 -8  14  33 o 177.781 6.8278  3897.10    294.531  3897.10    294.531  0.0000     0.0000   177.781 6.8278  ?       ?       0.000000       6.827845 
1 1 1 -8  14  34 o 31.821  5.9996  128.472    44.625   179.223    66.274   86.377     60.358   37.391  7.5647  26.482  8.3818  10.90843       11.29066 
1 1 1 -8  14  35 f 57.158  4.5216  402.051    62.197   432.123    91.168   375.867    85.069   58.844  6.4933  54.827  6.5226  4.017788       9.203690 
1 1 1 -8  14  36 o 110.100 5.7803  1495.27    153.879  1467.07    191.548  1546.59    258.396  108.518 7.3174  110.338 9.7519  -1.820023      12.19199 
1 1 1 -8  14  37 o 88.295  5.6498  963.050    120.405  953.906    146.484  982.097    211.410  87.470  6.9594  87.476  10.149  -0.6065369E-02 12.30580 
1 1 1 -8  14  38 o 26.471  8.2514  87.631     58.721   73.531     67.190   133.225    120.824  25.382  8.8648  33.622  11.876  -8.239742      14.82013 
1 1 1 -8  14  39 o 26.582  7.5018  90.721     50.496   69.722     78.602   105.477    65.891   25.815  9.5174  28.751  8.7007  -2.936121      12.89513 
1 1 1 -8  14  40 o 38.599  8.9428  196.178    82.114   0.0000     0.0000   196.178    82.114   ?       ?       38.599  8.9428  0.000000       8.942815 
1 1 1 -8  14  41 o 25.815  8.9155  78.813     67.869   0.0000     0.0000   78.813     67.869   ?       ?       25.815  8.9155  0.000000       8.915503 
1 1 1 -8  14  42 o 18.941  7.8456  15.307     58.971   62.123     184.190  9.9596     62.248   32.606  13.712  18.953  7.9707  13.65358       15.86017 
1 1 1 -8  14  43 o 24.332  8.6875  67.430     64.815   79.798     192.183  65.843     68.849   33.661  14.071  24.469  8.9246  9.191786       16.66279 
1 1 1 -8  14  44 o 35.846  6.8496  166.644    57.403   169.539    87.343   164.442    76.161   35.432  9.8196  35.045  8.9307  0.3863144      13.27330 
1 1 1 -8  14  45 o 32.860  6.6640  140.304    51.316   73.662     77.806   191.610    68.270   25.766  9.4737  38.226  7.6278  -12.45971      12.16284 
1 1 1 -8  14  46 o 20.335  8.2636  25.944     63.829   475.717    217.269  -16.5409   66.775   56.173  15.456  17.683  7.8373  38.48978       17.32907 
1 1 1 -8  14  47 o 17.234  6.8623  21.061     43.072   -46.5173   67.377   67.763     56.012   16.105  7.4252  23.728  8.1030  -7.623133      10.99059 
1 1 1 -8  14  48 o 24.581  8.2482  74.320     58.027   48.516     70.200   129.981    103.104  22.914  8.8679  31.900  10.990  -8.985542      14.12182 
1 1 1 -8  14  49 f 16.085  7.0136  -6.0282    51.500   -5.5468    59.476   -7.4709    102.953  17.323  7.5456  22.470  9.8537  -5.147375      12.41094 
1 1 1 -8  14  50 f 23.081  8.8402  52.826     69.249   37.700     72.871   193.726    222.408  22.140  8.8882  39.166  15.594  -17.02618      17.94938 
1 1 1 -8  15  1  o 341.372 7.0622  14156.05   584.967  13933.29   825.621  14380.61   828.925  338.455 10.053  343.855 9.9352  -5.400391      14.13435 
1 1 1 -8  15  2  o 245.968 5.5671  7345.92    332.254  6981.55    468.241  7715.44    471.531  239.684 8.0513  251.984 7.7121  -12.30045      11.14899 
1 1 1 -8  15  3  o 138.715 4.0151  2335.47    135.139  2404.57    190.054  2264.80    192.194  140.724 5.5660  136.568 5.8000  4.155975       8.038692 
1 1 1 -8  15  4  o 388.290 7.9805  18324.94   751.881  18297.33   1061.75  18352.71   1064.90  387.642 11.288  388.226 11.305  -0.5840759     15.97565 
1 1 1 -8  15  5  o 150.989 4.1913  2767.32    153.552  2716.25    216.379  2819.14    217.941  149.548 5.9631  152.356 5.8954  -2.808044      8.385372 
1 1 1 -8  15  6  o 498.059 9.9717  30194.62   1205.08  30435.30   1703.26  29953.37   1705.22  499.227 14.061  495.229 14.191  3.998383       19.97737 
1 1 1 -8  15  7  o 582.228 11.427  41325.63   1614.29  41720.53   2281.95  40930.04   2283.95  583.613 16.115  577.999 16.285  5.614258       22.91043 
1 1 1 -8  15  8  o 497.102 10.019  30106.77   1208.48  30139.43   1707.98  30074.03   1710.13  496.320 14.183  495.772 14.216  0.5487061      20.08103 
1 1 1 -8  15  9  o 359.812 7.4931  15749.25   654.189  16051.18   924.215  15446.07   926.114  362.773 10.500  355.828 10.727  6.944855       15.01004 
1 1 1 -8  15  10 o 183.479 4.6445  4089.09    206.773  4324.36    291.588  3851.11    293.260  188.585 6.3723  177.939 6.7923  10.64546       9.313558 
1 1 1 -8  15  11 o 198.966 4.8376  4809.87    233.544  4610.04    329.897  5010.62    330.665  194.633 6.9855  202.936 6.7153  -8.303650      9.689816 
1 1 1 -8  15  12 o 253.335 8.0883  7822.32    497.181  7929.22    681.177  7700.45    727.329  254.554 11.028  250.667 11.958  3.887619       16.26741 
1 1 1 -8  15  13 o 359.288 10.657  15799.56   929.051  15836.75   1290.64  15759.56   1338.42  358.235 14.848  357.113 15.446  1.121735       21.42552 
1 1 1 -8  15  14 o 215.014 7.4057  5634.02    386.364  6175.54    523.660  4987.02    572.387  224.768 9.6018  201.273 11.772  23.49501       15.19095 
1 1 1 -8  15  15 o 176.651 6.4218  3798.75    275.257  3568.75    366.357  4096.88    417.106  170.731 8.8742  182.856 9.4331  -12.12477      12.95126 
1 1 1 -8  15  16 o 297.282 7.4842  10770.71   539.857  10801.89   667.370  10711.68   918.276  297.357 9.2497  295.175 12.821  2.182007       15.80951 
1 1 1 -8  15  17 o 169.514 4.4673  3491.79    183.744  3571.30    260.162  3412.66    259.546  171.300 6.2593  167.441 6.3883  3.858810       8.943673 
1 1 1 -8  15  18 o 198.718 4.9102  4800.23    236.754  4807.77    335.374  4792.73    334.271  198.678 6.9569  198.368 6.9448  0.3096466      9.830020 
1 1 1 -8  15  19 o 289.582 6.4643  10209.00   454.213  10195.33   643.154  10222.60   641.556  288.882 9.1755  289.276 9.1403  -0.3938599     12.95123 
1 1 1 -8  15  20 o 81.464  4.1282  808.355    81.333   791.183    113.703  826.348    116.387  80.425  5.8671  82.202  5.8740  -1.776611      8.302207 
1 1 1 -8  15  21 o 95.605  4.1758  1110.62    96.870   1057.14    132.354  1172.32    142.159  93.018  5.8946  97.961  6.0098  -4.943069      8.418114 
1 1 1 -8  15  22 o 312.186 9.7864  11930.24   741.311  11331.85   1082.99  12457.80   1016.88  302.545 14.753  317.861 13.185  -15.31613      19.78569 
1 1 1 -8  15  23 o 269.141 8.4985  8852.36    554.994  9515.34    822.463  8298.08    752.018  277.971 12.194  259.664 11.936  18.30743       17.06348 
1 1 1 -8  15  24 o 272.636 8.7555  9095.12    579.200  9110.73    856.163  9081.94    786.491  271.485 12.997  271.449 11.941  0.3671265E-01  17.64972 
1 1 1 -8  15  25 o 379.009 9.0746  17608.98   834.526  17451.80   1029.98  17909.37   1423.85  376.256 11.282  378.501 15.504  -2.244751      19.17400 
1 1 1 -8  15  26 o 106.237 4.0345  1372.55    103.999  1011.64    144.767  1757.46    149.501  90.785  6.6175  120.124 5.1292  -29.33948      8.372552 
1 1 1 -8  15  27 o 211.218 5.3054  5439.18    271.902  5429.11    385.348  5449.17    383.712  210.495 7.5448  210.896 7.4985  -0.4012146     10.63725 
1 1 1 -8  15  28 o 126.384 4.2293  1944.99    129.695  1815.42    182.338  2077.68    184.513  121.691 6.1958  130.408 5.8312  -8.716644      8.508269 
1 1 1 -8  15  29 o 62.437  4.5202  477.731    68.016   387.937    93.424   579.005    99.216   55.786  7.0600  68.526  6.0285  -12.74012      9.283639 
1 1 1 -8  15  30 o 34.110  5.7619  146.278    45.990   143.095    67.980   148.965    62.449   33.376  8.4005  34.099  7.7266  -0.7229805     11.41351 
1 1 1 -8  15  31 o 52.988  6.5081  350.150    81.917   350.150    81.917   0.0000     0.0000   52.988  6.5081  ?       ?       0.000000       6.508109 
1 1 1 -8  15  32 o 81.098  5.9145  811.840    115.582  811.840    115.582  0.0000     0.0000   81.098  5.9145  ?       ?       0.000000       5.914550 
1 1 1 -8  15  33 o 97.462  4.1262  1159.91    97.576   1203.30    139.720  1118.60    136.330  98.778  5.8557  95.206  5.9310  3.572144       8.334581 
1 1 1 -8  15  34 o 110.294 4.1417  1486.14    110.839  1502.15    157.646  1470.49    155.869  110.340 5.9097  109.169 5.9063  1.171021       8.355182 
1 1 1 -8  15  35 o 149.947 6.2628  2773.30    227.861  2690.51    290.941  2904.66    366.464  146.621 8.2109  151.231 10.044  -4.609695      12.97304 
1 1 1 -8  15  36 o 40.879  7.0359  212.719    67.271   204.749    77.495   237.088    135.508  39.778  8.2977  42.259  12.404  -2.481548      14.92314 
1 1 1 -8  15  37 o 87.877  5.7610  955.772    122.160  1046.56    148.373  764.713    215.237  91.654  6.7185  76.023  12.072  15.63118       13.81548 
1 1 1 -8  15  38 o 37.320  6.7025  177.866    58.462   278.213    92.127   110.212    75.645   46.357  8.5038  29.576  9.3858  16.78150       12.66518 
1 1 1 -8  15  39 o 38.619  8.4174  195.085    76.648   0.0000     0.0000   195.085    76.648   ?       ?       38.619  8.4174  0.000000       8.417357 
1 1 1 -8  15  40 o 24.355  8.9520  62.956     69.466   0.0000     0.0000   62.956     69.466   ?       ?       24.355  8.9520  0.000000       8.952037 
1 1 1 -8  15  41 o 16.844  7.3722  -9.3830    57.380   -64.0000   177.002  -2.9691    60.656   27.177  12.341  17.780  7.6823  9.397062       14.53687 
1 1 1 -8  15  42 o 35.134  8.8522  164.572    75.431   247.308    202.875  151.300    81.256   42.594  15.353  33.656  9.5226  8.937740       18.06598 
1 1 1 -8  15  43 o 66.149  4.9899  544.523    79.499   483.516    114.289  601.714    110.657  61.171  7.8835  68.881  6.7059  -7.710129      10.34982 
1 1 1 -8  15  44 o 62.283  5.1953  484.458    77.797   677.657    111.282  299.769    108.804  73.265  6.3218  47.087  9.8401  26.17744       11.69586 
1 1 1 -8  15  45 o 18.806  7.2137  32.079     46.154   35.877     75.087   29.772     58.514   22.344  9.0039  20.036  7.9919  2.308132       12.03915 
1 1 1 -8  15  46 f 25.807  7.3058  86.800     47.815   61.356     72.647   106.246    63.511   24.269  9.1097  28.477  8.5252  -4.207556      12.47659 
1 1 1 -8  15  47 o 31.801  8.2740  134.555    64.454   44.840     79.650   304.758    109.708  23.481  9.3375  47.469  9.8478  -23.98840      13.57080 
1 1 1 -8  15  48 o 43.267  6.7415  241.245    68.470   274.539    85.639   182.254    113.993  45.708  8.0140  36.429  11.518  9.278614       14.03143 
1 1 1 -8  15  49 o 23.750  8.2010  68.231     57.426   68.082     69.334   68.558     102.482  24.513  8.9536  26.908  10.626  -2.395140      13.89517 
1 1 1 -8  16  1  o 349.603 7.2777  14850.68   617.354  15085.67   871.382  14613.87   874.769  352.100 10.200  346.529 10.404  5.570587       14.56940 
1 1 1 -8  16  2  o 428.206 8.7421  22296.50   908.305  22541.65   1282.71  22049.95   1286.38  430.072 12.292  425.328 12.465  4.743591       17.50602 
1 1 1 -8  16  3  o 67.020  3.7608  546.897    60.910   509.174    85.850   585.134    86.432   64.515  5.5379  69.225  5.1834  -4.709633      7.585238 
1 1 1 -8  16  4  o 213.012 4.9822  5509.46    257.508  5509.40    362.500  5509.51    365.866  212.923 7.0165  212.922 7.0817  0.1251221E-02  9.969049 
1 1 1 -8  16  5  o 591.061 11.820  42603.93   1695.22  43264.76   2395.95  41941.49   2398.88  594.128 16.620  584.870 16.904  9.258728       23.70581 
1 1 1 -8  16  6  o 408.499 8.1908  20301.24   811.860  20734.83   1147.17  19866.17   1149.12  412.289 11.467  403.508 11.737  8.780548       16.40888 
1 1 1 -8  16  7  o 442.234 9.0244  23817.29   968.354  23783.29   1368.46  23851.39   1370.46  441.075 12.787  441.706 12.787  -0.6309814     18.08328 
1 1 1 -8  16  8  o 368.951 7.5798  16565.04   678.562  16721.21   958.690  16408.26   960.576  370.134 10.675  366.628 10.798  3.505707       15.18370 
1 1 1 -8  16  9  o 153.032 4.2306  2844.26    157.092  2777.39    221.250  2912.23    223.084  151.139 6.0331  154.769 5.9405  -3.630554      8.466867 
1 1 1 -8  16  10 o 240.949 7.9152  7073.37    462.756  7564.53    632.789  6508.73    678.468  248.777 10.483  230.151 12.193  18.62592       16.07973 
1 1 1 -8  16  11 o 172.594 6.4183  3625.14    268.787  3786.01    360.082  3422.70    403.930  176.186 8.4230  167.044 10.012  9.141495       13.08380 
1 1 1 -8  16  12 o 470.898 13.551  27302.12   1548.37  27180.18   2164.99  27429.80   2215.33  466.467 19.128  468.344 19.494  -1.876770      27.31140 
1 1 1 -8  16  13 o 195.731 6.8036  4665.96    323.118  4598.98    435.713  4747.81    481.649  194.002 9.2562  196.725 10.125  -2.722900      13.71811 
1 1 1 -8  16  14 o 76.854  5.2797  721.624    97.857   544.017    123.014  1027.73    161.494  66.348  7.7894  91.544  7.3320  -25.19602      10.69738 
1 1 1 -8  16  15 o 279.978 6.2873  9541.15    427.121  9482.73    603.758  9599.67    604.322  278.659 8.9295  280.381 8.8829  -1.722473      12.59531 
1 1 1 -8  16  16 o 67.246  3.9464  551.212    64.110   528.367    89.734   575.031    91.627   65.661  5.6885  68.535  5.5578  -2.873497      7.952884 
1 1 1 -8  16  17 o 113.306 3.9433  1559.55    108.412  1596.53    152.126  1521.40    154.538  114.573 5.4722  111.686 5.7218  2.886612       7.917286 
1 1 1 -8  16  18 o 62.005  4.4925  469.672    67.131   472.238    95.234   467.138    94.645   61.952  6.4291  61.613  6.4253  0.3381920      9.089410 
1 1 1 -8  16  19 o 92.789  4.0708  1046.05    91.652   1111.53    129.536  980.420    129.696  95.422  5.6195  89.556  6.0033  5.866493       8.223063 
1 1 1 -8  16  20 o 203.403 5.0805  5031.11    250.742  4996.56    355.129  5065.46    354.078  202.461 7.2290  203.862 7.1581  -1.400497      10.17337 
1 1 1 -8  16  21 o 204.768 7.2050  5112.24    357.982  5344.40    542.631  4933.34    476.345  208.462 10.765  200.735 9.7799  7.727493       14.54386 
1 1 1 -8  16  22 o 94.824  6.1184  1099.58    140.021  1135.43    236.179  1080.15    173.874  95.676  10.338  93.759  7.7112  1.917709       12.89709 
1 1 1 -8  16  23 o 63.990  7.1885  505.866    109.681  233.725    189.452  643.064    134.517  44.531  14.904  72.142  7.8093  -27.61047      16.82598 
1 1 1 -8  16  24 o 134.874 4.8838  2213.68    159.826  2183.60    200.352  2266.33    265.041  133.832 6.1698  135.875 8.0755  -2.042664      10.16264 
1 1 1 -8  16  25 o 197.780 4.9717  4763.25    238.589  4793.11    336.042  4732.89    338.806  198.042 6.9932  196.772 7.0962  1.269363       9.962919 
1 1 1 -8  16  26 o 196.749 5.1151  4718.07    244.191  4793.37    345.582  4642.98    345.096  197.867 7.1980  194.712 7.3044  3.155029       10.25502 
1 1 1 -8  16  27 o 88.970  4.0760  963.640    87.990   962.443    123.433  964.877    125.467  88.577  5.7747  88.674  5.8645  -0.9716797E-01 8.230385 
1 1 1 -8  16  28 o 47.656  5.1470  280.473    58.572   346.871    79.725   202.607    86.335   52.845  6.3444  39.695  9.1511  13.14999       11.13523 
1 1 1 -8  16  29 o 143.576 4.4108  2514.53    153.662  2583.61    217.644  2445.87    216.979  145.156 6.1794  141.196 6.3333  3.960098       8.848484 
1 1 1 -8  16  30 o 91.003  5.8617  1019.75    128.744  1019.75    128.744  0.0000     0.0000   91.003  5.8617  ?       ?       0.000000       5.861683 
1 1 1 -8  16  31 o 27.486  8.6622  93.257     64.517   93.257     64.517   0.0000     0.0000   27.486  8.6622  ?       ?       0.000000       8.662182 
1 1 1 -8  16  32 o 94.514  4.1565  1090.97    95.322   1107.14    136.502  1075.59    133.171  94.699  5.9712  93.351  5.9098  1.347939       8.401242 
1 1 1 -8  16  33 o 93.352  4.1355  1064.70    93.672   1079.41    134.200  1050.73    130.810  93.465  5.9484  92.231  5.8758  1.234268       8.361148 
1 1 1 -8  16  34 o 69.163  5.7082  592.302    94.938   509.107    112.938  792.702    175.283  63.620  7.4576  78.879  9.3396  -15.25941      11.95174 
1 1 1 -8  16  35 o 46.113  6.8617  268.826    74.435   264.437    86.992   280.822    143.825  45.359  8.2061  45.728  12.572  -0.3685150     15.01320 
1 1 1 -8  16  36 o 101.931 5.8272  1285.28    143.523  1307.76    176.644  1241.62    246.196  102.325 7.1598  98.098  10.507  4.226509       12.71426 
1 1 1 -8  16  37 o 66.776  4.6683  549.774    75.163   568.232    115.089  536.047    99.253   67.181  7.1712  65.498  6.3239  1.683228       9.561257 
1 1 1 -8  16  38 o 66.669  4.6692  548.656    75.055   524.086    106.334  573.052    105.955  64.499  6.9015  67.597  6.5418  -3.097649      9.509261 
1 1 1 -8  16  39 o 15.645  7.0110  -21.9947   54.984   0.0000     0.0000   -21.9947   54.984   ?       ?       15.645  7.0110  0.000000       7.011003 
1 1 1 -8  16  40 o 33.464  8.7328  148.311    71.661   118.164    194.155  153.066    77.105   35.752  14.453  33.942  9.1529  1.809742       17.10774 
1 1 1 -8  16  41 o 14.342  6.5863  -35.1369   52.294   -283.8301  183.910  -13.2610   54.545   21.946  10.693  16.106  7.1135  5.839958       12.84322 
1 1 1 -8  16  42 o 68.929  5.3196  593.092    88.283   740.344    120.524  422.617    129.680  76.525  6.5542  56.166  9.8760  20.35847       11.85299 
1 1 1 -8  16  43 o 39.385  6.4267  199.317    59.298   220.323    90.201   183.329    78.691   40.391  9.3830  36.955  8.8853  3.436138       12.92242 
1 1 1 -8  16  44 o 57.611  5.4815  416.578    75.701   497.335    108.119  338.918    106.025  62.238  7.2980  50.505  8.9809  11.73272       11.57230 
1 1 1 -8  16  45 o 9.7027  4.8122  -100.4846  43.024   -108.5871  72.486   -96.0772   53.460   14.270  6.8959  11.718  5.7219  2.552168       8.960662 
1 1 1 -8  16  46 o 31.643  7.0118  131.176    52.420   107.573    77.655   150.935    71.051   28.959  9.5362  33.578  8.6631  -4.618793      12.88370 
1 1 1 -8  16  47 o 64.809  5.4197  526.417    84.445   365.575    108.974  768.163    133.598  52.486  8.8732  77.501  7.1862  -25.01452      11.41819 
1 1 1 -8  16  48 o 29.077  8.3433  112.568    61.937   -1.8871    75.527   347.598    108.230  19.647  8.5307  50.911  9.0951  -31.26398      12.46969 
1 1 1 -8  17  1  o 167.985 4.3672  3425.73    178.009  3482.65    250.430  3367.59    253.076  169.323 6.0954  166.497 6.2644  2.826324       8.740566 
1 1 1 -8  17  2  o 404.052 8.2697  19855.11   810.759  20026.35   1144.82  19682.80   1148.36  405.304 11.641  401.790 11.779  3.514679       16.56090 
1 1 1 -8  17  3  o 134.439 3.9007  2194.02    127.243  2065.05    178.870  2326.15    181.046  130.385 5.6539  138.391 5.3916  -8.005432      7.812517 
1 1 1 -8  17  4  o 512.377 10.229  31991.58   1271.74  32235.52   1796.76  31746.69   1800.27  513.205 14.429  509.256 14.569  3.949646       20.50507 
1 1 1 -8  17  5  o 179.621 4.5245  3918.02    197.195  4049.85    277.609  3783.75    280.159  182.537 6.2678  176.424 6.5446  6.113541       9.061885 
1 1 1 -8  17  6  o 116.723 3.9298  1654.25    111.299  1758.82    157.197  1549.13    157.604  120.313 5.3848  112.753 5.7801  7.560089       7.899717 
1 1 1 -8  17  7  o 267.658 5.9408  8709.63    385.826  9053.10    544.886  8364.24    546.399  272.624 8.2372  262.000 8.5950  10.62366       11.90482 
1 1 1 -8  17  8  f 160.513 4.3547  3129.66    169.604  3022.59    238.978  3238.32    240.745  157.639 6.2478  163.179 6.0804  -5.539581      8.718146 
1 1 1 -8  17  9  f 243.614 7.8705  7232.62    465.230  7340.32    636.426  7109.04    681.783  244.952 10.708  240.876 11.665  4.076477       15.83454 
1 1 1 -8  17  10 o 172.857 6.3841  3636.76    267.765  3665.90    358.565  3600.01    402.604  173.329 8.5257  171.347 9.7237  1.982010       12.93205 
1 1 1 -8  17  11 o 281.916 8.7429  9704.20    598.053  9629.49    822.151  9788.15    871.559  280.011 12.101  282.125 12.732  -2.113647      17.56498 
1 1 1 -8  17  12 o 224.268 7.3785  6130.52    401.514  5897.52    545.383  6406.25    593.290  219.492 10.240  228.671 10.693  -9.178940      14.80553 
1 1 1 -8  17  13 f 297.441 6.3865  10770.50   460.922  10782.91   651.321  10758.05   652.364  297.099 9.0350  296.751 9.0601  0.3483276      12.79520 
1 1 1 -8  17  14 o 340.030 7.3376  14090.65   605.393  14594.24   856.146  13587.04   856.163  345.322 10.218  333.084 10.593  12.23752       14.71824 
1 1 1 -8  17  15 o 76.558  3.8808  713.793    71.854   738.867    100.664  687.747    102.597  77.762  5.3680  74.976  5.6818  2.785103       7.816562 
1 1 1 -8  17  16 o 303.245 6.5979  11197.64   485.473  11109.02   686.349  11286.38   686.775  301.474 9.3828  303.888 9.3140  -2.413544      13.22070 
1 1 1 -8  17  17 o 77.713  4.6449  736.669    87.184   573.150    109.773  1016.04    143.484  68.275  6.7131  91.114  6.5335  -22.83937      9.367625 
1 1 1 -8  17  18 o 211.061 5.1867  5417.38    265.621  5449.32    375.889  5385.53    375.402  211.430 7.3271  210.184 7.3609  1.245789       10.38601 
1 1 1 -8  17  19 o 46.812  5.0271  269.534    56.206   385.021    77.176   139.096    82.019   55.954  5.7671  33.354  9.6100  22.59961       11.20765 
1 1 1 -8  17  20 o 143.994 6.3138  2525.35    220.599  2376.36    348.959  2624.52    284.704  138.835 10.435  146.400 8.0456  -7.564331      13.17664 
1 1 1 -8  17  21 o 291.012 9.1670  10365.65   647.293  10437.38   953.357  10304.30   881.661  290.516 13.525  289.031 12.572  1.485260       18.46509 
1 1 1 -8  17  22 o 138.478 6.2556  2337.06    210.190  2483.48    340.895  2247.25    266.979  141.921 9.9626  135.335 8.1685  6.585999       12.88321 
1 1 1 -8  17  23 o 169.372 4.6162  3490.03    189.712  3434.40    266.655  3547.04    269.960  167.780 6.5501  170.513 6.5250  -2.732773      9.245460 
1 1 1 -8  17  24 o 200.593 5.0315  4900.51    244.893  4838.51    345.414  4963.17    347.255  198.929 7.1561  201.487 7.1029  -2.557831      10.08274 
1 1 1 -8  17  25 o 152.679 4.5333  2838.52    167.943  2643.11    234.989  3042.52    240.108  147.030 6.5869  157.805 6.2708  -10.77560      9.094458 
1 1 1 -8  17  26 o 78.786  4.3091  758.244    82.063   813.464    111.409  692.745    121.336  81.415  5.6752  74.911  6.7479  6.503693       8.817091 
1 1 1 -8  17  27 o 71.495  4.3015  625.181    74.274   589.836    104.123  661.799    105.981  69.117  6.2772  73.293  6.0123  -4.176674      8.691981 
1 1 1 -8  17  28 o 109.655 4.2079  1466.08    111.959  1504.32    156.562  1426.06    160.166  110.668 5.8512  107.672 6.1562  2.996223       8.493244 
1 1 1 -8  17  29 o 47.531  7.1549  284.464    79.960   284.464    79.960   0.0000     0.0000   47.531  7.1549  ?       ?       0.000000       7.154899 
1 1 1 -8  17  30 o 60.035  6.4056  448.473    91.870   448.473    91.870   0.0000     0.0000   60.035  6.4056  ?       ?       0.000000       6.405634 
1 1 1 -8  17  31 o 90.951  4.1181  1010.21    90.879   948.601    130.159  1068.82    126.945  87.570  6.1651  93.118  5.6451  -5.548439      8.359134 
1 1 1 -8  17  32 o 61.478  4.4070  464.564    65.303   550.015    94.237   385.622    90.576   66.602  5.8922  55.434  6.8820  11.16728       9.059789 
1 1 1 -8  17  33 o 38.884  7.5226  193.932    68.407   183.450    79.535   223.727    134.094  37.525  8.8745  41.216  12.399  -3.690483      15.24730 
1 1 1 -8  17  34 f 33.299  8.0561  143.873    64.385   134.893    74.225   171.165    129.398  32.273  9.0908  36.911  12.317  -4.638386      15.30888 
1 1 1 -8  17  35 o 19.666  7.7581  28.505     54.578   11.286     61.837   89.195     116.096  19.130  7.9881  30.126  11.468  -10.99533      13.97602 
1 1 1 -8  17  36 o 79.622  4.2696  778.745    82.186   848.691    117.658  712.097    114.851  82.677  5.9039  75.566  6.3220  7.110435       8.650051 
1 1 1 -8  17  37 o 88.130  4.5512  956.150    96.990   940.883    137.016  971.484    137.314  86.750  6.5578  88.194  6.4617  -1.443924      9.206388 
1 1 1 -8  17  38 o 79.263  6.5595  788.218    125.021  0.0000     0.0000   788.218    125.021  ?       ?       79.263  6.5595  0.000000       6.559489 
1 1 1 -8  17  39 o 75.409  6.6811  716.628    120.981  0.0000     0.0000   716.628    120.981  ?       ?       75.409  6.6811  0.000000       6.681140 
1 1 1 -8  17  40 o 39.476  8.5373  206.414    79.395   307.497    203.964  188.363    86.193   46.142  15.464  37.431  9.4801  8.711346       18.13867 
1 1 1 -8  17  41 o 46.794  8.1562  287.047    89.241   183.719    225.892  306.155    97.143   39.583  15.730  48.162  8.6297  -8.579090      17.94151 
1 1 1 -8  17  42 o 75.489  4.9596  709.000    90.339   776.873    128.738  643.154    126.801  78.174  6.8563  70.759  7.4997  7.414299       10.16143 
1 1 1 -8  17  43 o 16.983  7.2541  2.7020     52.929   17.215     83.361   -7.1007    68.510   21.848  9.2079  18.483  8.0733  3.365231       12.24599 
1 1 1 -8  17  44 f 15.081  6.5085  -2.0840    43.433   -43.1660   75.497   18.239     53.100   17.400  7.9622  18.313  7.5002  -0.9125996     10.93842 
1 1 1 -8  17  45 o 50.219  5.9353  319.346    70.925   464.725    102.265  184.607    98.451   60.196  7.1408  36.700  10.516  23.49616       12.71100 
1 1 1 -8  17  46 o 28.475  8.6138  106.661    64.591   127.612    82.055   72.532     104.729  31.022  9.7678  27.451  10.773  3.570892       14.54192 
1 1 1 -8  17  47 o 25.815  8.7291  83.316     64.995   72.749     79.900   103.986    111.747  25.667  9.5694  29.992  11.290  -4.325184      14.80016 
1 1 1 -8  18  1  o 199.689 4.8647  4842.50    235.709  4968.29    331.793  4714.34    334.915  202.173 6.7636  196.924 7.0093  5.248764       9.740463 
1 1 1 -8  18  2  o 249.369 5.5534  7554.81    336.018  7512.04    473.477  7598.20    476.944  248.489 7.8529  249.909 7.8654  -1.419891      11.11451 
1 1 1 -8  18  3  o 200.464 4.7824  4880.86    232.618  4955.95    327.375  4804.28    330.593  201.893 6.6828  198.768 6.8546  3.124680       9.573177 
1 1 1 -8  18  4  o 99.137  3.7155  1193.23    89.375   1207.19    125.321  1178.79    127.497  99.543  5.2066  98.350  5.3630  1.193878       7.474686 
1 1 1 -8  18  5  o 422.855 8.6815  21790.27   890.740  21345.73   1258.08  22237.11   1261.32  417.545 12.418  426.243 12.196  -8.697784      17.40494 
1 1 1 -8  18  6  o 369.019 7.6567  16584.39   685.574  16444.87   968.269  16724.65   970.832  366.747 10.881  369.870 10.818  -3.123199      15.34324 
1 1 1 -8  18  7  o 342.953 10.275  14378.36   855.000  14641.36   1187.17  14094.94   1232.41  344.892 14.186  338.101 15.023  6.791412       20.66214 
1 1 1 -8  18  8  f 127.671 5.6054  1982.39    173.645  1942.77    228.390  2036.67    267.321  126.046 7.5016  128.911 8.5956  -2.865448      11.40868 
1 1 1 -8  18  9  o 99.444  5.3391  1206.07    128.357  1204.22    164.922  1208.91    204.419  99.195  6.8950  99.153  8.5813  0.4182434E-01  11.00821 
1 1 1 -8  18  10 o 161.132 6.1715  3160.35    241.289  3182.75    320.957  3131.23    365.916  161.288 8.2286  159.754 9.4823  1.534088       12.55486 
1 1 1 -8  18  11 o 83.513  5.3884  851.793    108.606  855.089    137.850  846.398    176.352  83.503  6.8644  82.768  8.9222  0.7348099      11.25723 
1 1 1 -8  18  12 o 129.591 3.9517  2040.17    124.258  1966.24    174.873  2115.56    176.596  127.131 5.6690  131.879 5.5187  -4.748558      7.911660 
1 1 1 -8  18  13 o 142.816 4.1720  2478.19    144.570  2484.66    203.850  2471.66    205.062  142.897 5.8793  142.519 5.9299  0.3780060      8.350451 
1 1 1 -8  18  14 o 50.666  4.2821  314.146    52.150   303.458    75.274   324.011    72.317   49.516  6.4160  51.263  5.9230  -1.746906      8.731979 
1 1 1 -8  18  15 o 90.767  3.8276  1000.79    84.297   989.714    118.060  1012.31    120.402  90.043  5.4291  91.064  5.4745  -1.021446      7.710097 
1 1 1 -8  18  16 o 347.095 7.1841  14683.22   605.043  14662.52   855.963  14703.88   855.358  346.050 10.194  346.544 10.172  -0.4944458     14.40138 
1 1 1 -8  18  17 o 193.455 4.9539  4550.62    232.537  4482.58    327.940  4619.43    329.782  191.783 7.0472  194.697 6.9808  -2.913559      9.919419 
1 1 1 -8  18  18 f 77.818  5.2899  740.009    99.290   1021.73    199.542  647.301    114.467  90.957  9.1664  72.601  6.5690  18.35511       11.27717 
1 1 1 -8  18  19 o 84.064  6.1719  865.212    125.010  835.873    222.559  878.736    151.098  81.682  11.551  84.549  7.4411  -2.866356      13.74068 
1 1 1 -8  18  20 o 162.802 6.6160  3230.86    261.350  3124.80    409.033  3304.03    339.746  159.165 10.653  164.156 8.5594  -4.990311      13.66538 
1 1 1 -8  18  21 o 191.285 7.0812  4465.75    328.666  4413.71    505.346  4503.90    432.677  189.047 11.065  191.686 9.3027  -2.638550      14.45597 
1 1 1 -8  18  22 o 265.169 6.0363  8572.46    388.379  8688.00    550.479  8457.95    548.031  266.305 8.5192  262.733 8.5966  3.572571       12.10279 
1 1 1 -8  18  23 o 141.791 4.3237  2446.25    148.752  2439.86    208.494  2452.89    212.292  141.404 6.0767  141.769 6.1715  -0.3641968     8.661024 
1 1 1 -8  18  24 o 274.437 6.1445  9200.73    409.157  8913.74    578.374  9488.24    578.898  269.126 8.8571  277.781 8.5889  -8.655151      12.33759 
1 1 1 -8  18  25 o 167.577 4.6777  3422.96    190.198  3299.28    267.762  3548.91    270.216  164.112 6.7243  170.251 6.5412  -6.139404      9.380987 
1 1 1 -8  18  26 o 222.158 5.3427  6030.41    287.994  5795.73    406.983  6265.79    407.587  216.952 7.7312  225.701 7.4426  -8.748123      10.73144 
1 1 1 -8  18  27 o 149.408 4.4575  2723.69    161.594  2687.50    229.808  2759.07    227.271  147.966 6.4009  149.965 6.2458  -1.999130      8.943220 
1 1 1 -8  18  28 o 83.666  6.0170  863.532    121.335  863.532    121.335  0.0000     0.0000   83.666  6.0170  ?       ?       0.000000       6.017014 
1 1 1 -8  18  29 o 47.178  7.1505  280.869    79.288   280.869    79.288   0.0000     0.0000   47.178  7.1505  ?       ?       0.000000       7.150518 
1 1 1 -8  18  30 o 62.536  6.4432  487.099    96.368   487.099    96.368   0.0000     0.0000   62.536  6.4432  ?       ?       0.000000       6.443151 
1 1 1 -8  18  31 o 67.436  4.2919  558.226    69.862   483.640    98.959   632.332    98.640   62.222  6.6580  71.477  5.7359  -9.255291      8.787983 
1 1 1 -8  18  32 o 70.425  4.5711  609.777    77.689   678.870    120.267  560.301    101.772  73.758  6.7966  67.083  6.3273  6.675072       9.285872 
1 1 1 -8  18  33 o 26.484  8.3890  87.001     60.453   110.437    69.168   11.178     124.414  29.466  8.9138  26.139  11.142  3.327312       14.26919 
1 1 1 -8  18  34 o 105.833 5.8301  1385.78    149.137  1353.78    182.898  1449.28    257.629  104.034 7.2916  106.221 10.118  -2.187027      12.47174 
1 1 1 -8  18  35 o 45.833  5.4679  262.425    59.609   284.026    79.801   235.161    89.655   47.242  7.1884  42.382  8.9966  4.860500       11.51571 
1 1 1 -8  18  36 o 59.594  5.0689  440.392    72.599   381.416    107.623  489.637    98.344   54.385  8.4285  62.413  6.5938  -8.028202      10.70131 
1 1 1 -8  18  37 o 39.417  8.5286  204.240    79.200   0.0000     0.0000   204.240    79.200   ?       ?       39.417  8.5286  0.000000       8.528630 
1 1 1 -8  18  38 o 39.992  8.7727  211.725    82.786   0.0000     0.0000   211.725    82.786   ?       ?       39.992  8.7727  0.000000       8.772666 
1 1 1 -8  18  39 o 43.507  8.1284  248.053    82.652   166.412    216.030  262.053    89.459   38.692  15.380  44.575  8.5826  -5.882961      17.61307 
1 1 1 -8  18  40 f 35.438  9.0944  168.844    78.591   415.526    217.247  131.700    84.300   52.314  15.791  31.570  9.8941  20.74419       18.63481 
1 1 1 -8  18  41 o 17.653  7.0840  21.059     46.268   10.319     74.157   27.905     59.205   20.348  8.6361  19.931  8.0080  0.4168415      11.77750 
1 1 1 -8  18  42 f 48.533  5.7786  298.118    66.712   214.892    98.151   369.581    90.950   39.547  10.171  53.552  7.1803  -14.00535      12.45024 
1 1 1 -8  18  43 o 44.662  8.4138  264.351    87.835   11.379     250.755  299.731    93.776   33.805  15.073  47.622  8.4238  -13.81715      17.26713 
1 1 1 -8  18  44 o 66.757  5.2958  557.405    85.076   633.526    121.247  483.578    119.405  70.332  7.2066  60.831  8.3068  9.500778       10.99719 
1 1 1 -8  18  45 o 31.409  8.7505  132.167    69.169   137.023    83.011   121.137    125.104  31.969  9.7853  31.955  11.962  0.1342201E-01  15.45477 
1 1 1 -8  18  46 o 81.326  5.2518  827.234    103.080  747.550    135.405  937.060    158.966  76.165  7.4211  85.100  7.7848  -8.935493      10.75529 
1 1 1 -8  18  47 o 37.065  8.9895  187.626    80.016   271.936    87.232   -259.6079  200.912  45.138  8.2695  23.304  11.314  21.83444       14.01404 
1 1 1 -8  19  1  o 125.957 3.9244  1926.35    119.939  1833.61    168.488  2021.62    170.773  122.834 5.6531  128.985 5.4565  -6.151039      7.856883 
1 1 1 -8  19  2  o 87.032  3.6697  919.664    77.496   987.831    109.081  850.194    110.118  90.031  5.0133  83.464  5.4677  6.567398       7.418127 
1 1 1 -8  19  3  o 393.920 8.1539  18903.38   779.355  19191.29   1100.28  18613.49   1104.08  396.119 11.448  390.050 11.666  6.069244       16.34438 
1 1 1 -8  19  4  o 420.187 8.5674  21525.96   873.490  21720.64   1233.49  21330.14   1237.12  421.062 12.073  417.210 12.221  3.851959       17.17869 
1 1 1 -8  19  5  o 375.255 11.156  17239.88   1015.75  17805.84   1413.44  16635.46   1460.70  379.839 15.336  366.690 16.417  13.14911       22.46597 
1 1 1 -8  19  6  o 309.470 9.4800  11701.67   711.855  12009.14   984.255  11364.45   1030.79  312.547 12.979  303.720 13.987  8.827087       19.08105 
1 1 1 -8  19  7  o 241.166 7.7939  7092.29    456.070  7071.30    623.717  7116.40    668.580  240.267 10.699  240.867 11.440  -0.5997925     15.66288 
1 1 1 -8  19  8  o 258.299 8.2423  8142.78    516.575  8297.57    708.697  7967.31    754.551  260.081 11.230  254.597 12.214  5.484207       16.59245 
1 1 1 -8  19  9  o 127.352 5.6175  1973.21    173.586  1905.54    227.570  2067.37    268.435  124.783 7.5518  129.835 8.5690  -5.052795      11.42178 
1 1 1 -8  19  10 o 278.827 6.2100  9464.24    420.138  9489.99    592.987  9438.29    595.348  278.735 8.7678  277.962 8.8272  0.7729797      12.44158 
1 1 1 -8  19  11 o 206.041 4.9244  5161.37    246.192  5230.54    347.379  5091.56    348.963  207.204 6.9094  204.417 7.0356  2.786926       9.861013 
1 1 1 -8  19  12 o 91.122  3.8297  1008.64    84.675   1055.75    119.019  960.355    120.491  93.021  5.2950  88.670  5.6295  4.350723       7.728428 
1 1 1 -8  19  13 o 163.182 4.4464  3236.21    176.055  3429.68    248.148  3040.13    249.819  167.861 6.0925  158.004 6.5162  9.857376       8.920745 
1 1 1 -8  19  14 o 115.021 4.1354  1607.52    115.415  1652.64    164.097  1563.35    162.361  116.538 5.8032  113.185 5.9326  3.353302       8.298946 
1 1 1 -8  19  15 o 173.925 4.6151  3677.10    194.764  3644.14    276.179  3709.70    274.701  172.970 6.5805  174.529 6.4868  -1.558899      9.240157 
1 1 1 -8  19  16 o 99.518  4.0887  1203.43    98.731   1170.32    139.819  1236.35    139.434  97.878  5.9151  100.631 5.7342  -2.753052      8.238329 
1 1 1 -8  19  17 o 187.321 6.9138  4277.08    314.246  4387.50    479.416  4193.90    416.100  188.863 10.503  184.913 9.3037  3.950745       14.03126 
1 1 1 -8  19  18 o 144.488 6.3704  2543.50    223.339  2387.88    360.060  2640.83    284.735  139.056 10.755  146.831 8.0224  -7.774338      13.41749 
1 1 1 -8  19  19 o 127.264 6.2398  1973.53    192.680  1691.99    314.083  2143.43    243.986  116.755 11.225  132.270 7.6347  -15.51462      13.57539 
1 1 1 -8  19  20 o 57.525  6.9909  409.740    95.574   333.523    178.079  440.575    113.269  51.002  13.976  59.496  8.0532  -8.493465      16.12991 
1 1 1 -8  19  21 o 118.420 4.1835  1705.46    120.206  1677.70    170.855  1732.66    169.151  117.146 6.0313  119.222 5.8473  -2.076576      8.400468 
1 1 1 -8  19  22 o 188.241 4.8045  4315.01    219.447  4540.11    311.379  4092.88    309.321  192.758 6.6575  182.956 6.9678  9.802200       9.637088 
1 1 1 -8  19  23 o 249.625 5.8393  7608.60    353.681  7497.71    500.630  7719.09    499.731  246.972 8.3542  250.645 8.2170  -3.672867      11.71801 
1 1 1 -8  19  24 o 98.108  4.2501  1172.39    101.173  1077.07    139.214  1279.08    147.288  93.633  6.1620  102.107 5.9710  -8.473984      8.580385 
1 1 1 -8  19  25 o 84.891  4.2965  880.643    88.211   826.941    121.325  940.868    128.481  81.940  6.1470  87.442  6.0936  -5.502022      8.655550 
1 1 1 -8  19  26 o 135.807 4.4105  2250.36    145.335  2163.05    202.964  2342.24    208.207  132.753 6.3010  138.165 6.2106  -5.412048      8.847230 
1 1 1 -8  19  27 o 59.034  4.4288  427.914    62.977   441.973    89.358   414.038    88.771   59.654  6.2671  57.677  6.4539  1.977425       8.996064 
1 1 1 -8  19  28 o 150.857 6.4728  2803.79    236.930  2803.79    236.930  0.0000     0.0000   150.857 6.4728  ?       ?       0.000000       6.472801 
1 1 1 -8  19  29 o 165.501 6.5104  3379.97    261.440  3379.97    261.440  0.0000     0.0000   165.501 6.5104  ?       ?       0.000000       6.510403 
1 1 1 -8  19  30 o 104.693 4.6415  1342.14    117.908  1468.73    153.142  1157.86    184.771  109.088 5.8066  96.067  7.9994  13.02014       9.884711 
1 1 1 -8  19  31 f 83.683  4.2566  858.719    86.144   812.570    121.746  904.990    121.906  80.898  6.2508  85.499  5.9125  -4.601616      8.604107 
1 1 1 -8  19  32 o 84.746  5.8705  889.571    119.971  940.733    145.331  780.123    212.564  86.806  6.9584  77.002  11.749  9.803619       13.65493 
1 1 1 -8  19  33 o 88.247  5.9008  965.437    125.620  1030.67    152.190  825.967    222.525  90.820  6.9592  79.002  11.985  11.81828       13.85874 
1 1 1 -8  19  34 o 38.788  5.5198  189.066    50.484   224.885    73.435   156.968    69.516   41.834  7.5105  34.651  8.3636  7.183483       11.24085 
1 1 1 -8  19  35 o 60.000  5.1829  446.890    74.715   529.780    111.073  378.391    100.973  64.729  7.1938  54.348  7.8874  10.38092       10.67526 
1 1 1 -8  19  36 o 33.092  9.0737  144.619    75.037   0.0000     0.0000   144.619    75.037   ?       ?       33.092  9.0737  0.000000       9.073740 
1 1 1 -8  19  37 o 95.754  6.4521  1150.37    149.033  0.0000     0.0000   1150.37    149.033  ?       ?       95.754  6.4521  0.000000       6.452132 
1 1 1 -8  19  38 o 60.559  7.1046  468.010    102.412  317.870    241.170  501.040    113.118  46.807  16.753  62.460  7.6220  -15.65320      18.40532 
1 1 1 -8  19  39 o 60.121  8.2878  471.065    117.688  0.0000     0.0000   471.065    117.688  ?       ?       60.121  8.2878  0.000000       8.287810 
1 1 1 -8  19  40 o 37.557  6.8635  183.248    60.241   139.667    94.800   212.764    78.019   32.433  10.530  40.011  8.3081  -7.578190      13.41255 
1 1 1 -8  19  41 o 88.782  4.7907  979.192    102.820  1005.60    144.079  951.784    146.777  88.984  6.7227  86.356  7.0667  2.627312       9.753636 
1 1 1 -8  19  42 o 62.811  7.1373  506.582    106.843  590.280    273.967  491.569    116.030  60.218  17.626  61.456  7.9687  -1.238033      19.34340 
1 1 1 -8  19  43 o 80.804  4.9812  812.935    97.186   906.048    137.487  719.945    137.397  84.432  6.7679  74.712  7.6890  9.720093       10.24330 
1 1 1 -8  19  44 o 50.588  6.7430  328.525    80.707   310.024    103.020  357.923    129.859  48.056  9.1695  50.826  10.859  -2.769882      14.21299 
1 1 1 -8  19  45 o 51.182  6.8065  337.270    82.432   307.720    104.612  385.670    133.883  47.675  9.3775  52.680  10.836  -5.004791      14.33012 
1 1 1 -8  19  46 o 38.487  8.3931  199.676    76.170   205.222    97.191   190.846    122.632  38.308  10.253  36.743  11.978  1.565334       15.76738 
1 1 1 -8  20  1  o 151.186 4.1807  2776.27    153.364  2763.32    215.765  2789.50    218.031  150.746 5.8989  151.456 5.9329  -0.7104797     8.366381 
1 1 1 -8  20  2  o 290.810 8.9409  10318.53   630.890  10238.77   870.561  10406.75   915.565  288.926 12.418  291.146 12.960  -2.219482      17.94919 
1 1 1 -8  20  3  o 138.062 5.8207  2318.48    194.992  2442.52    257.883  2152.89    297.958  141.385 7.5444  132.452 9.3308  8.933411       11.99926 
1 1 1 -8  20  4  o 264.257 8.4356  8520.93    540.889  8909.86    742.835  8082.00    789.128  269.592 11.356  256.435 12.683  13.15802       17.02361 
1 1 1 -8  20  5  o 495.369 14.257  30291.00   1713.69  30359.21   2399.10  30219.94   2448.70  491.769 20.106  490.242 20.585  1.526428       28.77509 
1 1 1 -8  20  6  o 35.069  7.6140  155.761    62.932   117.714    75.374   243.325    114.345  30.902  9.2955  43.702  10.837  -12.80046      14.27727 
1 1 1 -8  20  7  o 99.646  5.4217  1211.41    130.593  1288.20    168.746  1096.74    206.208  102.603 6.8169  94.290  9.1274  8.313629       11.39210 
1 1 1 -8  20  8  o 222.328 5.2196  6011.74    281.578  6109.86    397.229  5912.64    399.201  223.869 7.3128  220.203 7.4715  3.666092       10.45465 
1 1 1 -8  20  9  o 268.049 5.9665  8744.85    388.061  8665.91    547.818  8824.36    549.790  266.403 8.4749  268.837 8.4284  -2.433838      11.95245 
1 1 1 -8  20  10 o 179.809 4.5887  3929.83    200.199  3778.27    282.055  4083.71    284.207  176.130 6.5999  183.132 6.3960  -7.002594      9.190575 
1 1 1 -8  20  11 o 154.642 4.3603  2906.22    163.610  3041.63    230.784  2769.40    231.980  158.081 6.0167  150.814 6.3393  7.267227       8.740041 
1 1 1 -8  20  12 o 204.356 4.9943  5077.98    247.643  5059.09    349.279  5097.07    351.169  203.745 7.0651  204.507 7.0769  -0.7618103     9.999930 
1 1 1 -8  20  13 o 103.645 7.2899  1316.01    182.163  1109.13    338.730  1400.18    216.068  93.428  15.484  106.757 8.4093  -13.32932      17.62047 
1 1 1 -8  20  14 o 25.903  7.1589  84.255     46.493   82.912     65.683   85.604     65.820   26.651  8.7701  26.954  8.7749  -0.3024178     12.40620 
1 1 1 -8  20  15 o 91.719  4.0443  1022.22    90.004   1005.15    128.649  1038.58    125.964  90.681  5.8786  92.208  5.6574  -1.526421      8.158668 
1 1 1 -8  20  16 o 134.151 6.2611  2192.09    203.801  1869.51    328.577  2393.79    259.817  122.875 11.142  139.839 7.6868  -16.96416      13.53623 
1 1 1 -8  20  17 o 186.211 6.9565  4228.79    314.310  4257.68    484.108  4207.73    413.257  185.868 10.781  185.388 9.1870  0.4803772      14.16414 
1 1 1 -8  20  18 o 326.895 9.9997  13115.92   793.154  13319.35   1156.43  12935.22   1089.90  327.307 14.561  322.894 13.911  4.412933       20.13831 
1 1 1 -8  20  19 o 269.456 8.6473  8893.52    565.370  9158.00    835.933  8670.54    767.545  271.949 12.668  264.912 11.941  7.036865       17.40899 
1 1 1 -8  20  20 o 23.023  7.4348  62.914     47.308   39.996     66.599   86.255     67.213   22.390  8.6451  27.059  8.8701  -4.669294      12.38613 
1 1 1 -8  20  21 o 173.385 4.7679  3661.14    200.585  3768.23    285.353  3556.53    282.017  175.576 6.6981  170.551 6.8149  5.025787       9.555502 
1 1 1 -8  20  22 f 145.576 4.4957  2581.27    158.799  2799.40    225.784  2367.75    223.387  151.342 6.1485  139.105 6.6184  12.23746       9.033681 
1 1 1 -8  20  23 o 124.550 4.2657  1889.85    128.914  1998.62    183.510  1783.87    181.137  127.840 5.9160  120.573 6.2126  7.267937       8.578762 
1 1 1 -8  20  24 o 151.682 4.5434  2806.51    167.217  2597.46    234.511  3022.72    238.500  145.475 6.6437  157.035 6.2593  -11.55931      9.127867 
1 1 1 -8  20  25 o 80.883  4.3436  800.474    84.934   778.777    116.300  825.271    124.330  79.452  6.0788  81.750  6.3170  -2.297333      8.766741 
1 1 1 -8  20  26 o 74.655  4.1800  682.277    75.414   612.864    108.313  747.589    105.064  70.302  6.4205  77.890  5.5965  -7.587517      8.517259 
1 1 1 -8  20  27 o 154.061 6.4685  2925.17    241.803  2925.17    241.803  0.0000     0.0000   154.061 6.4685  ?       ?       0.000000       6.468528 
1 1 1 -8  20  28 o 116.604 6.0689  1678.97    171.115  1678.97    171.115  0.0000     0.0000   116.604 6.0689  ?       ?       0.000000       6.068912 
1 1 1 -8  20  29 o 83.643  4.2427  857.675    85.824   848.517    122.051  866.633    120.707  82.732  6.1235  83.654  5.9863  -0.9224472     8.563477 
1 1 1 -8  20  30 o 94.412  4.5226  1091.65    103.605  1037.35    158.753  1131.94    136.739  91.102  7.2415  95.645  5.9212  -4.542480      9.354120 
1 1 1 -8  20  31 o 77.346  6.0771  743.057    113.133  823.194    133.103  534.479    214.737  81.196  6.8191  62.205  14.496  18.99125       16.01949 
1 1 1 -8  20  32 o 37.583  7.7206  182.607    68.050   187.589    76.130   162.807    151.779  37.924  8.4853  36.964  13.284  0.9604187      15.76270 
1 1 1 -8  20  33 o 80.369  4.3287  794.002    84.103   782.380    120.308  805.109    117.618  79.200  6.3129  80.430  6.0716  -1.230621      8.758823 
1 1 1 -8  20  34 o 54.607  5.4403  371.687    71.124   355.448    106.527  384.748    95.536   52.340  8.6931  54.987  7.3441  -2.646759      11.38002 
1 1 1 -8  20  35 f 76.470  6.7332  735.973    123.659  0.0000     0.0000   735.973    123.659  ?       ?       76.470  6.7332  0.000000       6.733211 
1 1 1 -8  20  36 o 22.925  8.4737  55.111     62.385   0.0000     0.0000   55.111     62.385   ?       ?       22.925  8.4737  0.000000       8.473705 
1 1 1 -8  20  37 o 10.336  5.0948  -96.2631   45.624   -4.5866    187.143  -102.0562  47.044   29.818  13.173  10.398  5.1342  19.42035       14.13785 
1 1 1 -8  20  38 o 101.790 6.7479  1311.33    165.717  1187.77    320.658  1356.36    193.572  89.775  15.267  102.812 7.8181  -13.03662      17.15245 
1 1 1 -8  20  39 o 116.580 4.6902  1682.06    132.671  1654.15    186.161  1710.86    189.124  114.236 6.7461  116.191 6.7372  -1.954369      9.534100 
1 1 1 -8  20  40 o 107.623 4.7441  1435.05    123.885  1499.50    173.736  1368.39    176.701  108.776 6.6139  103.579 7.0731  5.197044       9.683592 
1 1 1 -8  20  41 o 45.278  6.0899  261.530    65.210   214.860    94.915   303.252    89.743   39.551  9.9105  48.040  7.9789  -8.489147      12.72320 
1 1 1 -8  20  42 o 56.071  5.5572  395.919    74.610   289.087    105.839  501.451    105.193  46.081  9.7691  62.508  7.0593  -16.42715      12.05274 
1 1 1 -8  20  43 o 41.370  8.0291  226.616    77.689   197.829    97.950   275.441    127.564  37.828  10.365  44.042  11.728  -6.214134      15.65159 
1 1 1 -8  20  44 o 52.093  6.6488  348.493    82.122   391.342    103.447  275.466    135.047  54.584  8.0526  43.687  12.247  10.89661       14.65703 
1 1 1 -8  20  45 o 58.638  6.2102  438.824    87.014   308.236    111.212  644.961    139.725  47.189  10.022  69.890  8.4082  -22.70100      13.08228 
1 1 1 -8  21  1  o 314.317 9.6347  12075.70   734.803  12526.88   1017.51  11583.95   1062.27  319.115 13.141  306.487 14.284  12.62772       19.40944 
1 1 1 -8  21  2  o 98.152  5.3748  1175.14    127.520  1244.97    164.170  1068.92    202.475  100.883 6.7456  93.107  9.0779  7.775826       11.30981 
1 1 1 -8  21  3  o 195.951 6.7665  4677.27    321.716  4421.99    434.002  4988.63    479.315  190.170 9.4056  201.922 9.7830  -11.75258      13.57103 
1 1 1 -8  21  4  o 422.767 12.321  21986.22   1263.86  21939.01   1762.77  22036.16   1813.04  419.507 17.318  420.127 17.785  -0.6197510     24.82384 
1 1 1 -8  21  5  o 170.665 6.4205  3547.27    265.876  3698.54    355.151  3354.39    401.026  174.027 8.4107  165.204 10.052  8.822922       13.10670 
1 1 1 -8  21  6  o 308.857 6.6611  11621.08   499.190  11710.76   704.609  11530.70   707.321  309.418 9.3851  307.001 9.4954  2.417633       13.35075 
1 1 1 -8  21  7  o 220.224 5.1979  5898.59    277.751  5968.70    391.781  5827.74    393.826  221.262 7.2975  218.615 7.4244  2.647018       10.41031 
1 1 1 -8  21  8  o 150.721 4.2293  2760.54    154.670  2710.76    218.241  2810.77    219.236  149.230 6.0272  151.964 5.9457  -2.734711      8.466353 
1 1 1 -8  21  9  o 133.442 4.1100  2163.67    133.074  2240.41    187.549  2085.87    188.849  135.691 5.6964  130.910 5.9454  4.781052       8.233854 
1 1 1 -8  21  10 o 115.340 3.9175  1616.26    109.638  1616.42    154.497  1616.10    155.611  115.266 5.5240  115.252 5.5645  0.1390076E-01  7.840863 
1 1 1 -8  21  11 o 215.400 5.1670  5643.00    270.055  5550.23    381.100  5736.58    382.737  213.349 7.3618  216.914 7.2719  -3.565308      10.34779 
1 1 1 -8  21  12 o 308.685 6.6777  11609.33   500.157  11765.28   706.013  11452.21   708.653  310.112 9.3827  305.913 9.5471  4.198883       13.38591 
1 1 1 -8  21  13 o 221.369 5.2325  5961.13    281.056  5907.89    396.405  6014.95    398.549  220.080 7.4233  222.070 7.3965  -1.989441      10.47920 
1 1 1 -8  21  14 o 94.604  5.8357  1093.66    133.302  1128.14    219.880  1073.63    167.618  95.514  9.6184  93.518  7.4487  1.996658       12.16540 
1 1 1 -8  21  15 o 99.101  5.9816  1200.32    143.158  1072.32    242.988  1268.37    177.171  92.794  11.007  101.714 7.2257  -8.919838      13.16642 
1 1 1 -8  21  16 o 85.382  6.2262  892.972    128.101  1056.24    223.373  812.960    156.370  92.235  10.149  81.173  8.0452  11.06128       12.95083 
1 1 1 -8  21  17 o 89.952  6.1749  990.801    133.956  1148.59    231.978  911.863    164.077  96.197  10.089  86.005  7.9525  10.19137       12.84620 
1 1 1 -8  21  18 o 133.032 4.8482  2153.89    156.496  2139.08    198.658  2178.10    254.061  132.443 6.1818  133.202 7.8959  -0.7589874     10.02798 
1 1 1 -8  21  19 o 117.373 4.2660  1676.00    121.493  1652.30    171.936  1699.64    171.697  116.211 6.1191  117.884 6.0228  -1.672981      8.585862 
1 1 1 -8  21  20 o 159.969 4.5865  3116.15    178.025  3191.13    253.422  3043.09    250.142  161.587 6.4636  157.781 6.5338  3.805191       9.190700 
1 1 1 -8  21  21 o 91.453  4.1292  1018.23    91.628   1070.89    130.557  967.121    128.629  93.456  5.7859  88.757  6.0081  4.699005       8.341099 
1 1 1 -8  21  22 o 157.072 4.5772  3008.09    174.447  3080.37    247.919  2937.21    245.508  158.562 6.4439  154.812 6.5358  3.750259       9.178229 
1 1 1 -8  21  23 o 71.026  4.3744  617.527    75.021   609.287    106.045  625.783    106.147  70.215  6.2911  71.183  6.2078  -0.9679947     8.838240 
1 1 1 -8  21  24 o 43.198  5.4387  231.983    55.742   264.605    73.879   188.866    84.936   45.887  6.8448  38.205  9.2591  7.681255       11.51443 
1 1 1 -8  21  25 o 70.204  4.2938  604.020    72.790   589.905    104.845  617.155    101.138  68.967  6.3361  70.642  5.9560  -1.674957      8.695975 
1 1 1 -8  21  26 o 114.840 6.0964  1627.53    169.269  1627.53    169.269  0.0000     0.0000   114.840 6.0964  ?       ?       0.000000       6.096441 
1 1 1 -8  21  27 o 92.370  5.9973  1055.14    133.690  1055.14    133.690  0.0000     0.0000   92.370  5.9973  ?       ?       0.000000       5.997331 
1 1 1 -8  21  28 o 71.002  4.3179  619.002    74.036   595.991    104.418  642.265    104.991  69.203  6.2871  71.918  6.0734  -2.714691      8.741511 
1 1 1 -8  21  29 o 127.016 6.0492  1991.28    186.432  1843.57    231.336  2264.94    314.887  121.251 7.9064  133.317 9.8031  -12.06608      12.59408 
1 1 1 -8  21  30 o 119.664 6.0928  1773.55    176.321  1722.26    216.700  1874.03    303.302  117.224 7.6608  120.673 10.462  -3.449318      12.96705 
1 1 1 -8  21  31 o 17.431  7.5356  -4.5545    58.426   -61.6211   63.690   298.483    146.767  14.933  6.9965  46.842  12.626  -31.90884      14.43531 
1 1 1 -8  21  32 o 106.100 4.3770  1380.54    112.681  1378.75    158.908  1382.34    159.806  105.274 6.2490  105.399 6.2771  -0.1255569     8.857357 
1 1 1 -8  21  33 o 54.741  5.3268  373.212    69.857   348.539    105.553  392.442    93.185   51.791  8.7086  55.622  7.0639  -3.831017      11.21326 
1 1 1 -8  21  34 o 73.015  6.1129  667.447    107.302  771.601    249.054  643.707    118.903  73.857  14.415  71.374  6.9541  2.483231       16.00469 
1 1 1 -8  21  35 o 52.017  7.6332  348.676    93.476   0.0000     0.0000   348.676    93.476   ?       ?       52.017  7.6332  0.000000       7.633167 
1 1 1 -8  21  36 f 43.447  8.2092  248.196    83.369   174.153    215.516  261.226    90.407   38.888  15.393  44.407  8.7017  -5.518848      17.68190 
1 1 1 -8  21  37 o 80.390  6.8071  820.920    131.531  995.113    275.414  769.451    149.707  82.934  14.197  77.087  8.1263  5.847137       16.35814 
1 1 1 -8  21  38 o 88.792  4.7544  979.297    102.060  1081.62    144.761  878.171    143.913  92.415  6.4970  82.809  7.2350  9.606400       9.724025 
1 1 1 -8  21  39 o 62.936  5.1761  496.022    78.344   589.027    111.752  406.138    109.861  67.844  6.8840  55.493  8.4238  12.35085       10.87886 
1 1 1 -8  21  40 o 42.839  7.8085  241.891    78.176   98.279     231.347  260.403    83.062   35.563  15.178  44.402  8.0040  -8.839180      17.15900 
1 1 1 -8  21  41 o 26.761  7.9245  94.023     55.099   115.707    83.060   76.983     73.632   29.799  9.8649  25.660  9.2490  4.139322       13.52264 
1 1 1 -8  21  42 o 21.473  7.5198  53.865     48.364   12.655     75.130   83.025     63.199   20.555  8.7065  25.707  8.6081  -5.152161      12.24345 
1 1 1 -8  21  43 o 18.901  8.0237  8.7427     64.035   -28.3811   81.590   68.288     103.332  18.862  8.4893  26.899  10.655  -8.037079      13.62319 
1 1 1 -8  21  44 o 26.061  8.8035  86.237     66.107   56.325     85.026   131.954    105.115  24.563  9.6854  31.657  11.086  -7.093887      14.72106 
1 1 1 -8  22  1  o 192.668 6.8226  4522.99    318.953  4605.04    430.889  4423.53    474.375  194.075 9.1502  189.736 10.343  4.339233       13.80968 
1 1 1 -8  22  2  o 139.086 5.8492  2354.54    197.399  2353.79    259.992  2355.57    303.317  138.680 7.7576  138.511 9.0752  0.1688538      11.93898 
1 1 1 -8  22  3  o 88.676  5.3818  960.143    115.250  1063.61    146.594  792.688    186.491  93.217  6.5224  79.878  9.8294  13.33858       11.79655 
1 1 1 -8  22  4  o 397.033 8.2689  19249.42   796.597  19309.31   1124.37  19189.06   1128.76  396.366 11.691  395.093 11.774  1.272583       16.59259 
1 1 1 -8  22  5  o 135.983 4.1200  2247.00    135.939  2225.60    191.443  2268.76    193.060  135.225 5.8347  136.530 5.8277  -1.305328      8.246593 
1 1 1 -8  22  6  o 178.040 4.5648  3853.19    197.197  3825.35    277.414  3881.64    280.368  177.222 6.4513  178.519 6.4726  -1.296844      9.138587 
1 1 1 -8  22  7  f 172.924 4.5568  3634.90    191.194  3624.03    269.359  3645.95    271.432  172.498 6.4355  173.015 6.4657  -0.5177155     9.122547 
1 1 1 -8  22  8  o 42.207  4.5438  219.046    45.801   279.466    65.150   160.005    64.402   47.576  5.7610  35.539  7.6916  12.03705       9.609893 
1 1 1 -8  22  9  o 83.717  3.9473  851.552    80.183   802.411    112.203  902.838    114.627  80.997  5.7464  85.964  5.5247  -4.967491      7.971463 
1 1 1 -8  22  10 o 289.507 6.4096  10208.84   450.252  10280.79   635.790  10136.46   637.720  289.958 9.0368  287.892 9.1293  2.065887       12.84551 
1 1 1 -8  22  11 o 108.722 4.0209  1436.36    106.072  1390.03    149.488  1483.34    150.534  106.706 5.7954  110.257 5.6458  -3.550751      8.090807 
1 1 1 -8  22  12 o 81.121  4.0080  799.673    78.890   778.682    109.541  822.292    113.710  79.782  5.6960  81.990  5.7522  -2.208115      8.095209 
1 1 1 -8  22  13 o 47.840  7.5482  286.034    84.714   457.961    153.114  210.187    101.698  60.169  10.889  40.619  10.303  19.54927       14.99032 
1 1 1 -8  22  14 o 60.484  6.6413  451.293    95.862   193.213    170.058  571.497    116.059  41.149  14.118  68.076  7.1321  -26.92639      15.81745 
1 1 1 -8  22  15 o 39.283  8.5850  196.111    79.544   -59.2563   150.412  295.260    93.723   26.125  11.660  48.476  8.2645  -22.35044      14.29151 
1 1 1 -8  22  16 o 108.615 5.9581  1442.05    156.423  1323.21    249.641  1518.87    200.710  103.287 10.090  111.244 7.4793  -7.956947      12.55971 
1 1 1 -8  22  17 o 207.663 5.1767  5251.80    260.839  5261.54    368.229  5242.00    369.538  207.462 7.3150  207.068 7.3550  0.3942261      10.37329 
1 1 1 -8  22  18 o 79.347  4.2910  768.325    82.306   839.221    116.800  698.395    116.002  82.738  5.8558  75.357  6.4049  7.381706       8.678351 
1 1 1 -8  22  19 o 149.803 4.5293  2733.00    164.634  2768.26    233.024  2697.85    232.633  150.484 6.3818  148.545 6.4543  1.938995       9.076662 
1 1 1 -8  22  20 o 63.016  4.5755  486.461    69.484   533.995    97.028   436.422    99.551   65.796  6.1489  59.253  7.0634  6.542690       9.364880 
1 1 1 -8  22  21 o 123.225 4.2988  1850.66    128.532  1887.54    183.156  1814.86    180.417  124.162 6.0795  121.588 6.1352  2.574051       8.637196 
1 1 1 -8  22  22 o 81.714  4.2433  816.398    83.843   760.545    118.589  872.220    118.555  78.492  6.2792  84.184  5.8401  -5.691940      8.575258 
1 1 1 -8  22  23 o 55.105  4.7503  373.784    62.895   365.095    89.109   382.410    88.785   54.009  6.9618  55.343  6.7516  -1.334030      9.697959 
1 1 1 -8  22  24 o 63.574  4.4142  496.132    67.669   511.671    98.340   482.157    93.259   64.161  6.4023  62.301  6.2537  1.860470       8.949717 
1 1 1 -8  22  25 o 56.154  6.8679  395.248    91.626   395.248    91.626   0.0000     0.0000   56.154  6.8679  ?       ?       0.000000       6.867874 
1 1 1 -8  22  26 o 59.485  6.6167  442.557    93.884   442.557    93.884   0.0000     0.0000   59.485  6.6167  ?       ?       0.000000       6.616669 
1 1 1 -8  22  27 o 19.808  6.9264  43.575     41.024   -6.8034    61.991   82.831     54.721   17.834  7.7358  25.738  7.9560  -7.904762      11.09687 
1 1 1 -8  22  28 o 53.670  6.6546  362.056    84.801   349.034    97.438   402.717    172.179  52.309  7.9252  54.360  13.188  -2.051445      15.38637 
1 1 1 -8  22  29 o 74.805  6.0274  695.650    108.475  609.271    127.212  925.809    207.653  69.447  7.6778  84.564  10.335  -15.11722      12.87497 
1 1 1 -8  22  30 o 29.842  8.6634  114.998    66.431   109.039    73.379   142.068    156.403  29.359  9.2358  35.762  13.378  -6.402935      16.25610 
1 1 1 -8  22  31 o 113.507 4.4098  1580.71    121.453  1525.62    171.673  1635.92    171.848  110.650 6.4218  114.694 6.1980  -4.044594      8.924983 
1 1 1 -8  22  32 o 93.131  4.6379  1066.57    104.805  1101.15    148.658  1032.39    147.780  93.786  6.5742  90.716  6.7623  3.069946       9.431270 
1 1 1 -8  22  33 o 71.445  4.8719  632.235    83.953   628.961    122.220  635.160    115.517  70.394  7.2598  70.935  6.7947  -0.5408936     9.943453 
1 1 1 -8  22  34 f 50.159  7.9881  326.653    93.959   0.0000     0.0000   326.653    93.959   ?       ?       50.159  7.9881  0.000000       7.988124 
1 1 1 -8  22  35 o 21.646  8.2399  45.142     59.932   -114.0421  191.660  62.394     63.096   26.515  12.328  23.638  8.5554  2.876461       15.00570 
1 1 1 -8  22  36 o 15.893  6.9581  -7.9272    51.151   -238.8447  198.005  8.5852     52.948   23.815  11.481  17.457  7.3469  6.358166       13.63021 
1 1 1 -8  22  37 o 53.344  5.9356  360.736    75.525   390.080    107.747  332.394    105.892  54.376  8.4401  49.797  9.0992  4.579090       12.41085 
1 1 1 -8  22  38 o 11.606  5.5276  -52.7439   42.886   12.114     75.153   -84.0617   52.223   20.504  8.6977  11.927  5.7856  8.577268       10.44620 
1 1 1 -8  22  39 o 58.560  6.9706  441.353    97.099   363.804    251.502  454.937    105.260  47.807  17.108  59.210  7.4945  -11.40265      18.67787 
1 1 1 -8  22  40 o 58.292  5.3338  427.055    74.606   481.289    105.119  372.010    105.901  61.065  7.2353  52.977  8.5279  8.087399       11.18367 
1 1 1 -8  22  41 o 16.329  6.7663  11.473     43.885   -0.4302    66.764   20.528     58.233   18.625  8.0536  19.110  7.8437  -0.4850788     11.24213 
1 1 1 -8  22  42 o 13.868  6.4706  -46.0106   53.552   -49.6325   69.373   -40.6700   84.241   16.145  7.4753  18.567  8.4631  -2.422529      11.29179 
1 1 1 -8  22  43 o 49.728  6.5367  318.807    76.962   421.930    102.359  184.690    116.732  56.757  7.6256  36.148  11.679  20.60869       13.94840 
1 1 1 -8  23  1  o 107.669 4.2736  1408.94    111.646  1581.86    183.762  1307.76    140.562  113.742 6.6878  103.512 5.6175  10.23049       8.734047 
1 1 1 -8  23  2  o 103.455 3.7300  1300.25    93.631   1351.59    131.622  1247.66    133.220  105.413 5.1460  101.118 5.4499  4.295387       7.495498 
1 1 1 -8  23  3  o 520.629 10.507  33236.59   1327.32  32907.14   1874.51  33567.88   1879.75  515.221 14.994  520.448 14.885  -5.227295      21.12831 
1 1 1 -8  23  4  o 55.434  4.0592  375.398    54.218   460.856    76.558   289.410    76.795   61.336  5.1929  48.275  6.7399  13.06027       8.508390 
1 1 1 -8  23  5  o 390.889 8.1657  18656.54   774.477  18803.13   1093.24  18508.86   1097.33  391.184 11.518  388.053 11.654  3.131592       16.38533 
1 1 1 -8  23  6  o 318.237 6.8170  12342.00   526.390  12462.73   742.583  12220.08   746.287  319.091 9.5911  315.927 9.7354  3.163910       13.66627 
1 1 1 -8  23  7  o 123.274 4.0295  1846.57    120.528  1674.64    170.000  2020.34    170.909  117.130 6.0017  128.858 5.4662  -11.72822      8.117917 
1 1 1 -8  23  8  o 291.424 6.4179  10345.49   453.822  10547.95   640.737  10141.68   642.870  293.690 8.9914  287.924 9.2020  5.765686       12.86553 
1 1 1 -8  23  9  o 352.267 7.3609  15137.03   629.171  14932.50   888.664  15342.60   890.904  348.903 10.497  353.704 10.381  -4.801422      14.76307 
1 1 1 -8  23  10 f 53.863  4.4914  355.144    58.164   415.984    80.461   288.556    84.177   58.172  5.7768  48.075  7.4578  10.09716       9.433475 
1 1 1 -8  23  11 o 261.071 8.5027  8332.55    538.614  7745.05    788.216  8847.19    737.719  250.093 13.034  268.217 11.335  -18.12462      17.27382 
1 1 1 -8  23  12 o 222.892 7.5461  6065.38    408.111  6131.21    604.042  6010.09    553.568  223.271 11.150  221.273 10.311  1.998276       15.18641 
1 1 1 -8  23  13 o 165.963 6.4979  3358.13    261.665  3386.09    400.394  3337.28    345.702  165.805 9.9992  164.909 8.6700  0.8957367      13.23454 
1 1 1 -8  23  14 o 133.247 6.1088  2164.11    197.504  1957.08    310.820  2304.31    255.781  125.778 10.274  137.093 7.7208  -11.31493      12.85188 
1 1 1 -8  23  15 o 71.718  4.6671  628.488    80.774   633.526    102.760  620.341    130.665  71.847  5.9481  70.808  7.7308  1.038536       9.754241 
1 1 1 -8  23  16 o 87.855  4.0904  938.782    87.195   976.602    122.552  900.010    124.087  89.324  5.6840  85.690  6.0060  3.634224       8.269239 
1 1 1 -8  23  17 o 225.331 5.2221  6188.88    285.514  5985.54    402.641  6394.53    404.924  221.047 7.5071  228.533 7.3023  -7.486450      10.47280 
1 1 1 -8  23  18 o 66.882  4.3259  546.949    69.825   504.877    96.095   594.010    101.633  63.961  6.2726  69.457  6.0921  -5.496025      8.744095 
1 1 1 -8  23  19 o 34.947  6.0346  153.568    49.320   157.682    66.179   148.427    73.969   35.118  7.9515  34.047  8.8662  1.070278       11.90944 
1 1 1 -8  23  20 o 181.930 4.8564  4040.48    214.380  4048.09    303.020  4032.86    303.337  181.539 6.8792  181.191 6.8996  0.3484344      9.743116 
1 1 1 -8  23  21 o 112.398 4.2858  1541.14    116.883  1514.71    166.141  1567.04    164.469  110.932 6.1972  112.881 6.0266  -1.948975      8.644331 
1 1 1 -8  23  22 o 22.071  7.3701  56.994     46.327   8.6936     63.460   112.107    67.787   19.245  8.0683  29.753  8.7842  -10.50797      11.92729 
1 1 1 -8  23  23 o 51.796  4.7886  331.036    59.501   408.804    87.517   264.189    81.139   57.265  6.4084  45.597  7.6015  11.66809       9.942387 
1 1 1 -8  23  24 o 61.182  6.6136  467.486    96.619   467.486    96.619   0.0000     0.0000   61.182  6.6136  ?       ?       0.000000       6.613552 
1 1 1 -8  23  25 o 18.771  7.8555  9.6734     59.987   9.6734     59.987   0.0000     0.0000   18.771  7.8555  ?       ?       0.000000       7.855450 
1 1 1 -8  23  26 o 22.644  6.8896  64.040     41.233   15.459     60.346   106.583    56.471   19.268  7.9553  28.749  7.8669  -9.481018      11.18813 
1 1 1 -8  23  27 o 57.057  6.4771  408.080    88.082   392.985    101.798  453.049    175.704  55.596  7.7576  57.782  12.863  -2.186069      15.02118 
1 1 1 -8  23  28 o 37.595  7.9721  183.393    70.467   148.804    77.504   348.336    169.247  33.720  9.2116  50.312  13.558  -16.59160      16.39116 
1 1 1 -8  23  29 f 19.995  7.9758  27.545     58.279   33.431     63.595   -3.3086    145.608  21.149  8.3645  27.198  11.827  -6.049313      14.48600 
1 1 1 -8  23  30 o 56.698  4.8118  398.098    65.572   366.094    93.951   428.495    91.561   53.602  7.4228  58.340  6.5833  -4.737671      9.921593 
1 1 1 -8  23  31 o 96.211  4.5548  1138.13    106.330  1210.32    150.898  1066.94    149.854  98.411  6.3533  92.202  6.7451  6.209007       9.266139 
1 1 1 -8  23  32 o 62.222  5.1509  481.654    77.067   575.821    114.787  404.369    103.990  67.349  7.1328  56.041  7.8641  11.30809       10.61697 
1 1 1 -8  23  33 o 36.146  8.4728  173.474    73.016   0.0000     0.0000   173.474    73.016   ?       ?       36.146  8.4728  0.000000       8.472785 
1 1 1 -8  23  34 o 50.049  8.5355  329.871    99.937   0.0000     0.0000   329.871    99.937   ?       ?       50.049  8.5355  0.000000       8.535499 
1 1 1 -8  23  35 o 21.305  8.2987  40.264     61.784   -13.8912   197.061  46.168     65.064   29.824  13.325  22.166  8.5488  7.658037       15.83193 
1 1 1 -8  23  36 o 36.146  7.3937  172.254    62.660   314.134    95.925   66.658     82.755   48.662  8.4294  25.351  9.6748  23.31132       12.83186 
1 1 1 -8  23  37 o 27.850  7.7125  102.954    53.902   112.596    87.459   97.049     68.447   29.568  10.125  27.390  8.9498  2.177677       13.51369 
1 1 1 -8  23  38 o 76.287  6.5085  741.325    119.323  860.500    289.886  717.013    130.929  73.557  16.632  74.548  7.3332  -0.9908981     18.17701 
1 1 1 -8  23  39 o 39.007  8.8562  206.096    81.908   391.005    234.352  180.365    87.421   49.357  16.576  36.197  9.7398  13.16009       19.22565 
1 1 1 -8  23  40 o 23.351  7.6810  68.355     50.384   -15.5585   78.068   128.257    65.960   19.117  8.4735  30.875  8.5243  -11.75784      12.01929 
1 1 1 -8  23  41 f 23.149  8.3591  61.548     60.183   73.532     79.278   45.249     92.456   25.602  9.5347  24.420  9.9370  1.182377       13.77148 
1 1 1 -8  23  42 o 52.198  6.0718  348.349    75.464   315.767    99.980   391.489    115.044  48.334  8.8512  53.766  9.1459  -5.431919      12.72753 
1 1 1 -8  24  1  o 130.097 3.9362  2056.53    124.253  2073.95    174.631  2038.66    176.831  130.550 5.5129  129.426 5.6308  1.124176       7.880239 
1 1 1 -8  24  2  o 57.879  3.9018  408.875    54.476   485.901    77.200   332.480    76.883   63.001  5.0938  51.882  6.2320  11.11882       8.048899 
1 1 1 -8  24  3  o 213.718 5.1164  5555.76    265.322  5531.04    372.723  5581.14    377.772  212.970 7.2128  213.922 7.2780  -0.9523773     10.24662 
1 1 1 -8  24  4  o 275.050 6.1123  9212.32    407.927  9222.15    574.411  9202.31    579.414  274.695 8.6180  274.379 8.7031  0.3157349      12.24802 
1 1 1 -8  24  5  o 142.727 4.2263  2475.83    146.361  2464.99    206.350  2486.81    207.628  142.287 5.9769  142.914 5.9875  -0.6274261     8.460139 
1 1 1 -8  24  6  o 146.633 4.2365  2613.28    150.731  2682.16    211.817  2542.61    214.541  148.428 5.8814  144.494 6.1192  3.933578       8.487387 
1 1 1 -8  24  7  o 361.100 7.5307  15911.78   659.820  16238.67   931.851  15583.10   934.407  363.773 10.557  356.257 10.810  7.516266       15.10972 
1 1 1 -8  24  8  o 11.059  5.2381  -45.3433   37.492   -54.1908   50.689   -34.6570   55.708   13.207  6.2050  15.192  6.9083  -1.985322      9.285838 
1 1 1 -8  24  9  o 108.772 5.8262  1444.73    153.209  1399.11    242.583  1475.00    197.609  106.462 9.4903  109.683 7.4696  -3.220703      12.07728 
1 1 1 -8  24  10 o 321.738 9.8484  12694.78   768.833  12603.32   1114.56  12777.80   1061.94  318.628 14.416  321.216 13.625  -2.587769      19.83610 
1 1 1 -8  24  11 o 109.282 5.8039  1458.66    153.346  1700.24    247.578  1308.29    195.324  117.541 8.7433  103.179 7.8611  14.36256       11.75763 
1 1 1 -8  24  12 o 80.232  6.0056  788.802    116.066  849.836    196.833  756.268    143.710  82.598  10.027  78.302  7.6621  4.296036       12.61914 
1 1 1 -8  24  13 o 212.732 7.4402  5530.92    384.043  5293.23    572.293  5725.65    517.995  206.775 11.451  215.838 9.8909  -9.062408      15.13143 
1 1 1 -8  24  14 o 68.617  4.2214  574.843    69.942   567.629    97.396   582.524    100.501  67.968  5.9661  68.844  6.0789  -0.8757629     8.517501 
1 1 1 -8  24  15 o 202.290 5.1125  4985.69    250.939  5048.94    354.003  4921.81    355.765  203.151 7.1816  200.546 7.3111  2.604462       10.24836 
1 1 1 -8  24  16 o 94.590  4.5129  1089.60    103.578  961.961    162.649  1176.67    134.339  88.242  7.6729  98.029  5.6721  -9.787376      9.541812 
1 1 1 -8  24  17 o 65.942  4.3462  531.936    69.149   447.456    95.896   623.443    99.805   60.084  6.6914  71.195  5.8285  -11.11148      8.873952 
1 1 1 -8  24  18 f 96.715  4.1249  1139.52    96.799   1024.31    133.365  1267.77    140.719  91.282  6.0557  101.660 5.7281  -10.37715      8.335641 
1 1 1 -8  24  19 o 135.024 4.3065  2223.31    141.090  2203.03    198.020  2244.23    201.077  134.063 6.0875  135.302 6.1248  -1.239273      8.635449 
1 1 1 -8  24  20 o 65.879  4.4227  532.148    70.288   532.977    96.900   531.228    102.107  65.609  6.1590  65.421  6.5192  0.1874161      8.968493 
1 1 1 -8  24  21 o 31.408  6.5131  125.841    48.006   176.908    65.989   68.428     69.968   37.164  7.5748  25.200  9.0232  11.96412       11.78113 
1 1 1 -8  24  22 o 43.265  5.4169  233.190    55.620   201.411    76.538   268.753    80.968   39.522  8.2479  45.999  7.5139  -6.477005      11.15738 
1 1 1 -8  24  23 f 63.856  6.4532  508.464    98.614   508.464    98.614   0.0000     0.0000   63.856  6.4532  ?       ?       0.000000       6.453172 
1 1 1 -8  24  24 o 43.157  7.6986  238.632    77.660   238.632    77.660   0.0000     0.0000   43.157  7.6986  ?       ?       0.000000       7.698559 
1 1 1 -8  24  25 o 40.873  7.3614  213.986    70.321   224.524    78.487   171.103    158.331  41.705  8.0478  37.826  13.570  3.879074       15.77725 
1 1 1 -8  24  26 o 47.143  7.1406  282.429    79.123   271.947    90.234   317.300    164.583  45.861  8.4192  48.121  13.531  -2.259716      15.93608 
1 1 1 -8  24  27 o 36.599  8.0439  174.291    69.484   145.124    76.438   313.067    166.734  33.298  9.1696  47.696  13.690  -14.39836      16.47731 
1 1 1 -8  24  28 o 19.381  7.7688  24.629     55.577   63.922     60.382   -193.2134  142.173  23.799  8.3970  20.339  9.7862  3.460106       12.89496 
1 1 1 -8  24  29 o 17.480  7.0557  18.229     46.194   42.004     84.448   8.0775     55.181   23.970  9.5876  17.874  7.5102  6.096292       12.17888 
1 1 1 -8  24  30 o 60.078  5.0060  448.142    72.311   369.153    107.658  513.067    97.604   53.275  8.6231  63.874  6.3831  -10.59942      10.72854 
1 1 1 -8  24  31 o 10.626  5.1022  -54.3930   38.187   -141.4177  78.352   -27.2820   43.732   14.115  6.8996  13.298  6.0754  0.8170652      9.193163 
1 1 1 -8  24  32 o 39.674  8.7422  209.559    81.887   0.0000     0.0000   209.559    81.887   ?       ?       39.674  8.7422  0.000000       8.742232 
1 1 1 -8  24  33 o 47.761  8.6795  302.221    96.879   0.0000     0.0000   302.221    96.879   ?       ?       47.761  8.6795  0.000000       8.679461 
1 1 1 -8  24  34 o 14.205  6.5120  -32.2065   50.817   -123.6096  184.761  -24.7261   52.855   25.482  11.932  15.008  6.7865  10.47396       13.72678 
1 1 1 -8  24  35 o 30.965  8.0124  128.311    60.661   223.889    94.152   60.478     79.318   40.354  9.7291  24.549  9.4469  15.80571       13.56098 
1 1 1 -8  24  36 o 61.711  5.3378  478.948    79.138   395.840    114.791  554.227    109.251  54.313  9.0274  65.636  6.9664  -11.32278      11.40286 
1 1 1 -8  24  37 o 38.285  8.6037  198.162    77.977   423.106    225.089  167.485    83.125   51.223  16.183  34.901  9.5421  16.32130       18.78714 
1 1 1 -8  24  38 o 58.896  7.1001  448.301    99.418   586.633    252.915  423.019    108.122  59.959  16.743  56.686  8.0904  3.272842       18.59486 
1 1 1 -8  24  39 o 41.739  6.5741  225.458    64.377   382.462    94.403   88.981     88.016   54.220  7.3664  27.465  10.079  26.75525       12.48436 
1 1 1 -8  24  40 o 22.291  8.2948  53.525     59.976   28.979     78.291   88.394     93.311   21.941  9.0602  27.658  10.335  -5.716507      13.74445 
1 1 1 -8  24  41 o 57.995  5.6091  426.382    77.945   414.987    103.722  441.165    118.143  56.104  7.8328  57.320  8.7737  -1.215496      11.76146 
1 1 1 -8  25  1  o 38.528  4.6083  183.046    42.226   209.838    61.949   159.797    57.708   41.014  6.4369  35.602  6.9296  5.411625       9.458014 
1 1 1 -8  25  2  o 139.315 4.1053  2358.72    138.772  2489.33    195.012  2224.73    197.519  143.012 5.6199  135.165 6.0225  7.846695       8.237337 
1 1 1 -8  25  3  f 204.432 5.0035  5083.38    248.192  4948.31    348.753  5221.98    353.284  201.430 7.1356  206.940 7.0358  -5.510101      10.02098 
1 1 1 -8  25  4  o 29.759  6.3054  111.961    44.114   178.227    61.551   41.969     63.257   37.637  6.9976  22.231  8.4647  15.40531       10.98259 
1 1 1 -8  25  5  o 83.016  3.8782  837.429    78.118   757.221    109.641  920.125    111.329  78.653  5.7857  86.797  5.3117  -8.143440      7.854179 
1 1 1 -8  25  6  o 113.846 4.0221  1575.16    111.106  1485.11    156.976  1665.56    157.281  110.279 5.8878  116.976 5.5413  -6.697205      8.085319 
1 1 1 -8  25  7  o 43.760  7.3944  240.067    75.716   245.191    141.338  238.005    89.669   44.035  12.594  43.335  8.8276  0.7003441      15.37965 
1 1 1 -8  25  8  o 102.177 5.6169  1274.96    138.722  1412.19    223.313  1188.73    177.019  107.091 8.6684  98.396  7.4702  8.694565       11.44316 
1 1 1 -8  25  9  o 306.223 9.5715  11500.00   711.186  10873.12   1032.06  12066.83   981.385  295.769 14.381  312.288 12.951  -16.51935      19.35345 
1 1 1 -8  25  10 o 150.165 6.2194  2748.92    226.613  2779.86    349.567  2726.49    297.621  150.205 9.6424  149.056 8.2614  1.149475       12.69745 
1 1 1 -8  25  11 o 170.736 6.5701  3556.83    272.182  3572.56    414.745  3544.94    360.729  170.170 10.090  169.850 8.7829  0.3196716      13.37687 
1 1 1 -8  25  12 o 160.447 4.4812  3132.17    174.457  3149.01    245.808  3115.06    247.642  160.652 6.3059  159.772 6.3879  0.8802185      8.976070 
1 1 1 -8  25  13 o 113.119 4.0847  1556.49    112.114  1374.66    157.457  1743.48    159.673  105.956 6.1510  119.594 5.5025  -13.63813      8.253015 
1 1 1 -8  25  14 o 66.596  7.9684  551.563    126.205  814.080    240.323  451.598    148.300  79.849  12.839  59.570  10.651  20.27874       16.68198 
1 1 1 -8  25  15 o 171.872 4.7611  3600.15    198.553  3632.71    280.261  3567.34    281.334  172.263 6.7051  170.686 6.7930  1.577255       9.544809 
1 1 1 -8  25  16 o 66.774  4.3210  545.505    69.635   526.812    96.980   565.399    100.049  65.324  6.1925  67.701  6.1579  -2.376793      8.733059 
1 1 1 -8  25  17 f 116.150 4.1369  1644.05    116.589  1671.88    162.775  1614.74    167.074  116.887 5.7392  114.669 6.0259  2.218292       8.321698 
1 1 1 -8  25  18 o 49.531  5.2041  303.257    61.608   267.070    89.184   336.288    85.207   45.775  8.3367  51.836  6.9496  -6.060753      10.85346 
1 1 1 -8  25  19 o 36.455  5.9243  167.181    50.604   131.811    67.615   212.221    76.300   32.012  8.5451  40.716  8.0085  -8.704494      11.71133 
1 1 1 -8  25  20 o 152.255 4.5417  2834.24    167.784  2672.98    235.584  3000.24    239.018  147.233 6.5944  156.092 6.3108  -8.858459      9.127591 
1 1 1 -8  25  21 f 48.859  5.0497  295.698    59.001   323.312    80.684   263.959    86.498   50.732  6.7198  45.383  8.1548  5.349228       10.56677 
1 1 1 -8  25  22 f 39.675  5.4312  196.968    50.913   253.514    74.038   146.243    70.124   44.702  7.0604  33.533  8.5825  11.16884       11.11341 
1 1 1 -8  25  23 o 100.046 5.9812  1239.66    144.531  1239.66    144.531  0.0000     0.0000   100.046 5.9812  ?       ?       0.000000       5.981212 
1 1 1 -8  25  24 o 24.571  8.5874  68.841     63.056   68.841     63.056   0.0000     0.0000   24.571  8.5874  ?       ?       0.000000       8.587434 
1 1 1 -8  25  25 o 57.792  6.5939  419.584    90.809   370.086    103.842  580.487    187.225  53.717  8.2293  65.780  12.179  -12.06346      14.69839 
1 1 1 -8  25  26 o 51.340  6.9947  334.021    84.867   290.650    95.950   489.905    181.904  47.299  8.6803  59.869  12.902  -12.57073      15.55055 
1 1 1 -8  25  27 o 35.797  8.4204  168.078    71.913   161.776    79.411   196.801    169.532  35.010  9.2205  39.515  14.056  -4.505478      16.81068 
1 1 1 -8  25  28 o 10.490  5.0674  -61.3106   39.078   -30.1998   86.188   -69.3611   43.843   19.629  8.7885  11.074  5.3541  8.555805       10.29096 
1 1 1 -8  25  29 o 84.972  4.7110  892.016    96.749   1027.24    141.754  774.092    132.375  90.490  6.4994  78.260  7.0467  12.23014       9.586305 
1 1 1 -8  25  30 o 27.716  7.7028  100.385    53.665   49.718     89.519   128.810    67.050   24.844  9.8929  31.209  8.5854  -6.364857      13.09881 
1 1 1 -8  25  31 o 54.086  7.5881  377.839    96.843   0.0000     0.0000   377.839    96.843   ?       ?       54.086  7.5881  0.000000       7.588120 
1 1 1 -8  25  32 o 98.302  7.9009  1244.47    186.861  0.0000     0.0000   1244.47    186.861  ?       ?       98.302  7.9009  0.000000       7.900891 
1 1 1 -8  25  33 o 23.966  8.7401  64.724     66.029   95.585     207.908  61.262     69.634   34.422  14.526  23.904  8.9293  10.51757       17.05131 
1 1 1 -8  25  34 o 59.029  5.4155  438.841    76.702   482.463    112.995  401.565    104.453  60.753  7.8489  55.266  8.0238  5.486824       11.22437 
1 1 1 -8  25  35 o 68.104  5.1348  581.614    84.227   624.992    123.111  543.443    115.485  69.425  7.4234  64.650  7.5014  4.775101       10.55357 
1 1 1 -8  25  36 o 31.949  8.8285  138.743    70.714   39.136     230.459  149.096    74.299   32.972  14.589  33.048  9.0155  -0.7544327E-01 17.15014 
1 1 1 -8  25  37 o ?       ?       -112.9350  26.881   -46.4605   203.248  -114.1184  27.119   28.721  13.112  ?       ?       0.000000       13.11236 
1 1 1 -8  25  38 o 102.182 4.9255  1299.84    122.122  1406.33    171.284  1189.73    174.165  104.925 6.7638  95.887  7.5467  9.037582       10.13423 
1 1 1 -8  25  39 o 18.480  7.6970  15.330     57.208   42.177     78.850   -14.5093   83.129   22.945  9.2337  19.718  8.7416  3.227474       12.71518 
1 1 1 -8  25  40 o 19.724  7.8957  30.118     57.328   -10.4173   74.753   88.000     89.327   18.886  8.3350  27.264  10.127  -8.378857      13.11631 
1 1 1 -8  25  41 o 22.785  9.1196  45.224     76.462   64.105     80.679   -121.3502  239.633  24.627  9.5134  28.329  13.366  -3.702505      16.40554 
1 1 1 -8  26  1  o 83.647  3.9340  850.253    79.845   792.463    110.148  914.245    115.909  80.484  5.6767  86.490  5.5525  -6.005936      7.940696 
1 1 1 -8  26  2  o 60.252  4.3077  443.554    62.561   500.986    86.865   381.657    90.178   63.902  5.6608  55.536  6.8365  8.366432       8.875954 
1 1 1 -8  26  3  o 175.038 4.5500  3725.46    193.245  3495.52    270.817  3964.00    275.832  169.340 6.5910  180.368 6.3026  -11.02751      9.119460 
1 1 1 -8  26  4  o 142.382 4.2535  2464.44    146.947  2308.40    205.215  2628.65    210.516  137.651 6.1442  146.913 5.9056  -9.261963      8.522161 
1 1 1 -8  26  5  o 114.443 5.7080  1594.83    158.503  1545.05    250.161  1628.22    204.876  111.928 9.2953  115.263 7.3639  -3.335007      11.85876 
1 1 1 -8  26  6  o 106.332 5.7155  1380.87    146.921  1254.45    235.276  1461.68    188.106  100.672 9.7541  109.210 7.1379  -8.538086      12.08687 
1 1 1 -8  26  7  o 141.268 6.0676  2431.93    207.981  2170.79    319.939  2623.05    273.702  132.598 10.018  146.311 7.7372  -13.71297      12.65803 
1 1 1 -8  26  8  o 227.666 7.7619  6336.18    428.778  5768.46    632.999  6817.54    582.866  215.728 12.142  235.509 10.200  -19.78120      15.85798 
1 1 1 -8  26  9  o 66.897  6.0122  549.893    96.546   738.907    167.056  455.102    118.304  77.098  9.1058  60.423  8.2876  16.67501       12.31260 
1 1 1 -8  26  10 o 116.211 4.0740  1642.33    114.877  1578.67    161.024  1708.32    163.936  113.644 5.8595  118.388 5.7069  -4.743896      8.179396 
1 1 1 -8  26  11 o 151.053 4.3977  2776.48    161.184  2691.16    226.364  2864.23    229.566  148.482 6.2830  153.199 6.1757  -4.716049      8.809985 
1 1 1 -8  26  12 o 97.143  4.0669  1148.11    95.859   1093.61    134.346  1204.64    136.818  94.482  5.8895  99.208  5.7078  -4.725441      8.201509 
1 1 1 -8  26  13 o 91.310  4.0238  1014.67    89.149   1029.66    124.895  999.104    127.292  91.673  5.6423  90.265  5.8432  1.407753       8.122682 
1 1 1 -8  26  14 o 62.610  4.3091  479.750    65.065   412.630    90.515   551.514    93.594   57.682  6.5852  66.928  5.8214  -9.245651      8.789369 
1 1 1 -8  26  15 o 41.731  5.3523  216.198    52.947   167.742    72.075   273.001    78.037   36.164  8.3781  46.629  7.1233  -10.46504      10.99697 
1 1 1 -8  26  16 o 42.366  5.2498  222.731    52.811   183.213    73.442   265.046    75.997   37.792  8.2412  45.911  7.0472  -8.118267      10.84345 
1 1 1 -8  26  17 o 103.457 4.5573  1307.15    114.402  1210.90    180.308  1372.00    148.009  98.726  7.5849  105.623 5.7973  -6.896797      9.546709 
1 1 1 -8  26  18 o 125.954 4.3142  1937.55    131.848  1837.69    183.807  2043.40    189.234  122.076 6.2261  128.936 6.0487  -6.860779      8.680452 
1 1 1 -8  26  19 o 214.555 5.3428  5648.44    278.146  5649.53    391.475  5647.33    395.269  213.374 7.5613  213.284 7.6378  0.8992004E-01  10.74755 
1 1 1 -8  26  20 o 120.953 4.2976  1789.26    126.128  1708.76    176.726  1872.83    180.066  117.531 6.2192  123.270 6.0202  -5.739952      8.655672 
1 1 1 -8  26  21 o 158.971 4.6695  3097.77    180.114  3025.02    253.680  3171.73    255.771  156.250 6.6912  160.046 6.5863  -3.796158      9.388903 
1 1 1 -8  26  22 o 109.674 6.0728  1490.93    160.977  1490.93    160.977  0.0000     0.0000   109.674 6.0728  ?       ?       0.000000       6.072800 
1 1 1 -8  26  23 o 23.953  8.8252  59.365     67.568   59.365     67.568   0.0000     0.0000   23.953  8.8252  ?       ?       0.000000       8.825171 
1 1 1 -8  26  24 o 27.665  8.6613  96.524     64.620   97.101     71.841   94.076     147.890  28.022  9.1697  32.372  12.771  -4.349304      15.72169 
1 1 1 -8  26  25 o 13.338  6.2348  -47.0610   50.077   -29.6857   53.951   -155.1942  134.589  15.013  6.8160  20.572  9.7962  -5.558377      11.93416 
1 1 1 -8  26  26 f 73.557  5.4978  672.142    97.414   607.758    110.043  905.343    209.430  69.564  6.5985  83.004  10.644  -13.44073      12.52318 
1 1 1 -8  26  27 o 121.292 4.6203  1810.05    135.979  2004.22    193.632  1621.13    191.001  126.880 6.2895  113.594 6.9633  13.28580       9.383273 
1 1 1 -8  26  28 o 69.231  5.0354  595.032    84.008   615.301    123.592  577.626    114.534  69.495  7.4454  67.456  7.1044  2.039291       10.29110 
1 1 1 -8  26  29 o 38.163  6.7707  187.916    60.400   191.563    99.177   185.765    76.152   37.528  10.486  37.382  8.5775  0.1457558      13.54747 
1 1 1 -8  26  30 o 65.328  6.9497  544.394    108.471  0.0000     0.0000   544.394    108.471  ?       ?       65.328  6.9497  0.000000       6.949736 
1 1 1 -8  26  31 o 42.974  8.6470  246.618    87.042   0.0000     0.0000   246.618    87.042   ?       ?       42.974  8.6470  0.000000       8.647012 
1 1 1 -8  26  32 o 21.889  8.3886  46.595     62.378   228.933    195.165  25.849     65.831   40.341  14.973  20.442  8.3592  19.89889       17.14800 
1 1 1 -8  26  33 o 25.832  7.7878  87.601     52.863   -81.9444   103.326  147.713    61.524   19.082  8.9311  33.230  7.7694  -14.14854      11.83760 
1 1 1 -8  26  34 o 98.440  5.2459  1214.60    124.851  1376.76    191.591  1094.91    164.598  102.944 7.7267  91.976  7.4391  10.96772       10.72576 
1 1 1 -8  26  35 o 64.376  6.7309  533.076    103.583  116.774    252.495  617.315    113.581  36.414  15.704  69.250  6.8494  -32.83652      17.13265 
1 1 1 -8  26  36 o 59.277  7.6811  460.197    107.880  0.0000     0.0000   460.197    107.880  ?       ?       59.277  7.6811  0.000000       7.681078 
1 1 1 -8  26  37 o 57.339  5.8848  417.990    80.713   431.789    124.911  408.099    105.757  56.370  9.4681  55.569  8.0802  0.8012428      12.44730 
1 1 1 -8  26  38 o 33.419  9.2339  153.677    77.364   155.181    101.278  151.570    119.876  33.483  10.884  33.480  11.829  0.2635956E-02  16.07477 
1 1 1 -8  26  39 o 18.846  7.9892  10.870     63.343   57.092     77.421   -82.7200   110.166  23.900  9.2951  19.675  9.2129  4.224957       13.08725 
1 1 1 -8  26  40 o 39.606  9.7223  221.580    92.741   201.446    99.184   361.618    261.575  37.411  10.498  45.367  17.228  -7.955917      20.17431 
1 1 1 -8  27  1  o 336.665 7.1807  13831.35   586.586  13541.27   826.597  14125.63   832.551  332.113 10.258  339.259 10.114  -7.145966      14.40510 
1 1 1 -8  27  2  o 235.811 7.8025  6793.62    446.441  6555.60    651.110  7004.80    613.309  230.365 11.687  238.749 10.587  -8.384048      15.76922 
1 1 1 -8  27  3  o 84.402  5.7393  871.559    116.839  885.676    185.339  862.249    150.515  84.541  9.1829  83.700  7.4904  0.8402328      11.85034 
1 1 1 -8  27  4  o 164.882 6.3702  3314.38    254.854  3354.47    384.665  3283.01    340.246  165.085 9.6451  163.551 8.6041  1.533417       12.92505 
1 1 1 -8  27  5  o 184.960 6.7700  4174.11    303.831  4147.57    454.130  4195.61    408.799  183.426 10.245  185.011 9.1065  -1.585083      13.70692 
1 1 1 -8  27  6  o 85.977  5.7585  904.651    119.437  998.333    199.057  851.951    149.298  89.751  9.2743  83.169  7.4781  6.582138       11.91365 
1 1 1 -8  27  7  o 325.722 9.9733  13046.14   788.225  12942.81   1141.40  13140.34   1089.83  321.969 14.610  324.898 13.824  -2.929260      20.11405 
1 1 1 -8  27  8  o 108.729 4.0364  1437.63    106.488  1342.26    150.698  1532.74    150.494  104.749 5.9538  112.152 5.5303  -7.403214      8.125977 
1 1 1 -8  27  9  o 49.064  4.7074  295.724    55.352   266.266    75.951   329.095    80.838   46.162  7.0004  51.492  6.6237  -5.329281      9.637353 
1 1 1 -8  27  10 o 99.517  4.0133  1204.80    96.908   1243.79    135.641  1164.14    138.500  100.836 5.5654  97.496  5.8822  3.339706       8.097741 
1 1 1 -8  27  11 o 93.350  4.0244  1060.44    91.155   1124.26    128.299  995.397    129.534  95.829  5.5414  90.084  5.9598  5.744781       8.137936 
1 1 1 -8  27  12 o 192.148 5.0030  4503.20    233.254  4566.16    328.701  4439.33    331.054  192.991 7.0194  190.248 7.1716  2.742706       10.03512 
1 1 1 -8  27  13 o 36.223  5.8141  164.413    49.372   194.827    68.319   131.165    71.431   39.184  7.4582  32.088  8.8756  7.095608       11.59313 
1 1 1 -8  27  14 f 85.396  4.0908  888.755    84.764   889.749    117.688  887.683    122.188  85.070  5.7350  84.924  5.9676  0.1454926      8.276653 
1 1 1 -8  27  15 o 71.105  4.2012  618.821    72.160   598.393    101.492  639.704    102.618  69.582  6.0722  71.991  5.9273  -2.408951      8.485499 
1 1 1 -8  27  16 o 114.106 4.6189  1591.23    127.883  1543.28    203.104  1622.72    164.611  111.453 7.5550  114.811 5.9292  -3.357826      9.603833 
1 1 1 -8  27  17 o 143.435 4.4455  2514.98    154.717  2535.73    218.382  2494.07    219.227  143.491 6.2723  142.281 6.3501  1.210007       8.925603 
1 1 1 -8  27  18 o 73.441  4.3125  661.725    76.511   602.634    106.120  725.692    110.412  69.611  6.3528  76.536  5.9934  -6.924805      8.733754 
1 1 1 -8  27  19 o 77.805  5.3107  747.335    99.659   676.152    112.659  1003.49    213.711  73.707  6.3616  88.366  10.152  -14.65852      11.98023 
1 1 1 -8  27  20 o 45.894  6.4733  265.664    70.084   237.964    76.555   409.046    174.175  43.086  7.6006  54.711  13.259  -11.62586      15.28302 
1 1 1 -8  27  21 f 113.201 6.0676  1589.33    166.054  1589.33    166.054  0.0000     0.0000   113.201 6.0676  ?       ?       0.000000       6.067611 
1 1 1 -8  27  22 o 83.609  7.1667  878.102    143.986  878.102    143.986  0.0000     0.0000   83.609  7.1667  ?       ?       0.000000       7.166718 
1 1 1 -8  27  23 o 15.038  6.8270  -29.7558   54.115   -34.5179   58.080   1.5952     149.022  15.414  7.0264  27.669  11.998  -12.25468      13.90414 
1 1 1 -8  27  24 o 49.548  7.1678  312.779    83.670   480.507    95.174   -257.9533  175.563  61.855  6.4356  21.973  10.646  39.88204       12.44035 
1 1 1 -8  27  25 o 110.792 4.3357  1507.19    116.555  1443.68    163.546  1572.74    166.152  107.555 6.2942  112.360 6.1174  -4.804649      8.777268 
1 1 1 -8  27  26 o 127.734 4.7101  2009.77    145.984  2278.89    206.388  1740.32    206.517  135.221 6.2904  117.438 7.2833  17.78300       9.623686 
1 1 1 -8  27  27 o 41.352  6.4796  218.592    62.879   234.291    100.239  208.406    80.740   41.632  10.040  39.663  8.6345  1.968243       13.24200 
1 1 1 -8  27  28 o 30.067  7.6911  119.229    56.336   100.329    93.271   130.084    70.687   29.030  10.415  31.288  8.8919  -2.257971      13.69479 
1 1 1 -8  27  29 o 86.598  7.6433  963.231    158.955  0.0000     0.0000   963.231    158.955  ?       ?       86.598  7.6433  0.000000       7.643291 
1 1 1 -8  27  30 o 37.438  9.3880  191.101    85.126   0.0000     0.0000   191.101    85.126   ?       ?       37.438  9.3880  0.000000       9.388000 
1 1 1 -8  27  31 o 27.466  9.0055  97.720     69.280   137.972    195.552  91.942     74.085   35.512  14.451  27.055  9.3164  8.457199       17.19402 
1 1 1 -8  27  32 o 61.424  5.3935  475.654    79.571   463.350    116.849  486.293    108.658  59.105  8.3825  61.081  7.4883  -1.975895      11.24018 
1 1 1 -8  27  33 o 78.578  5.0236  773.554    95.279   881.306    136.363  670.769    133.183  82.800  6.8489  71.577  7.7945  11.22284       10.37601 
1 1 1 -8  27  34 o 19.618  7.9530  26.634     58.960   23.263     217.712  26.901     61.249   31.561  14.061  19.902  8.0920  11.65940       16.22304 
1 1 1 -8  27  35 o 34.423  8.4445  161.135    69.999   -194.7455  216.656  202.613    73.965   25.629  12.266  38.811  8.1154  -13.18175      14.70761 
1 1 1 -8  27  36 o 21.215  7.9651  47.149     55.545   88.197     89.448   21.386     70.864   27.341  10.139  20.555  8.5644  6.786909       13.27172 
1 1 1 -8  27  37 o 47.010  7.1088  289.206    78.556   311.406    101.859  256.622    123.404  47.768  9.1208  41.948  11.689  5.820621       14.82607 
1 1 1 -8  27  38 o 26.647  9.0483  91.918     69.838   100.641    87.239   76.352     116.538  28.148  10.076  27.891  11.225  0.2575932      15.08377 
1 1 1 -8  27  39 o 42.113  10.079  253.069    101.619  216.064    109.928  470.472    266.447  38.362  11.147  50.328  17.649  -11.96656      20.87416 
1 1 1 -8  28  1  o 111.226 5.7646  1511.00    155.042  1425.32    236.502  1575.58    205.315  107.460 9.1577  113.325 7.5093  -5.864601      11.84283 
1 1 1 -8  28  2  o 353.424 10.633  15369.44   911.875  15196.88   1310.93  15531.20   1269.25  348.700 15.494  352.955 14.821  -4.254730      21.44090 
1 1 1 -8  28  3  o 336.638 10.190  13933.71   832.311  13967.35   1198.81  13902.40   1156.46  334.610 14.765  334.138 14.264  0.4721985      20.53002 
1 1 1 -8  28  4  o 68.339  6.2086  574.155    101.827  523.102    170.582  602.419    126.921  64.201  11.366  69.790  7.6189  -5.588440      13.68352 
1 1 1 -8  28  5  f 79.373  5.8574  772.135    112.011  943.594    181.851  667.315    142.185  87.309  8.6999  73.389  8.1208  13.91931       11.90108 
1 1 1 -8  28  6  o 55.187  4.4766  373.008    59.427   369.771    82.063   376.577    86.172   54.692  6.2990  55.155  6.5682  -0.4630165     9.100509 
1 1 1 -8  28  7  o 39.471  5.3956  193.361    50.321   208.156    70.984   178.415    71.346   40.615  7.4785  37.449  8.0883  3.166615       11.01588 
1 1 1 -8  28  8  o 120.458 4.1411  1765.56    121.037  1865.18    169.954  1663.04    172.419  123.651 5.6646  116.549 6.1184  7.102829       8.337969 
1 1 1 -8  28  9  o 67.337  4.2051  554.059    68.361   556.339    96.358   551.749    96.999   67.233  5.9687  66.941  6.0368  0.2911453      8.489355 
1 1 1 -8  28  10 o 108.756 4.0988  1440.05    108.161  1421.61    151.955  1458.98    153.992  107.708 5.8362  109.118 5.8374  -1.410233      8.254416 
1 1 1 -8  28  11 o 88.973  4.0051  964.046    86.463   985.281    122.446  942.927    122.109  89.604  5.6610  87.629  5.7753  1.975609       8.087096 
1 1 1 -8  28  12 o 75.712  4.1085  700.590    75.194   628.558    104.927  776.638    107.812  71.371  6.1182  79.482  5.6266  -8.111305      8.312109 
1 1 1 -8  28  13 o 54.516  4.5249  365.227    59.314   366.276    82.368   364.097    85.485   54.258  6.3782  54.034  6.6612  0.2243538      9.222421 
1 1 1 -8  28  14 o 44.377  5.4217  244.746    57.165   219.534    82.897   267.605    78.935   41.314  8.5512  46.019  7.3140  -4.704807      11.25245 
1 1 1 -8  28  15 o 111.401 4.6121  1517.56    124.666  1527.88    197.753  1510.76    160.597  110.865 7.3937  110.693 6.0018  0.1715622      9.523072 
1 1 1 -8  28  16 o 105.905 4.1406  1370.36    106.402  1486.32    148.997  1249.68    151.997  109.835 5.6095  100.495 6.2646  9.340332       8.409013 
1 1 1 -8  28  17 o 123.557 4.2964  1867.62    128.807  1783.78    180.855  1953.93    183.496  120.052 6.2301  125.882 6.0076  -5.830650      8.654737 
1 1 1 -8  28  18 o 29.591  7.8616  113.314    57.406   105.606    62.431   155.491    146.039  28.716  8.4165  36.309  13.032  -7.592909      15.51372 
1 1 1 -8  28  19 o 119.008 5.2204  1742.93    150.746  1681.80    173.249  1933.47    305.863  116.430 6.1544  122.439 10.394  -6.009590      12.07907 
1 1 1 -8  28  20 o 52.570  6.9132  349.581    86.044   349.581    86.044   0.0000     0.0000   52.570  6.9132  ?       ?       0.000000       6.913157 
1 1 1 -8  28  21 o 26.729  9.1237  85.289     71.010   85.289     71.010   0.0000     0.0000   26.729  9.1237  ?       ?       0.000000       9.123695 
1 1 1 -8  28  22 o 35.713  8.1146  166.802    68.718   159.292    76.354   198.818    157.643  34.756  8.9873  39.283  13.587  -4.527702      16.29004 
1 1 1 -8  28  23 o 82.917  6.1626  858.462    123.100  792.215    144.594  1032.93    234.653  79.038  7.6347  88.302  11.204  -9.263657      13.55802 
1 1 1 -8  28  24 o 52.398  5.0212  341.665    63.058   343.185    90.082   340.204    88.299   51.788  7.3774  51.602  7.2524  0.1857414      10.34521 
1 1 1 -8  28  25 o 27.319  7.8220  97.019     54.492   175.751    85.039   42.168     70.980   36.230  9.5415  22.553  8.8631  13.67678       13.02290 
1 1 1 -8  28  26 o 73.255  5.2206  668.110    92.189   699.514    125.045  630.717    136.449  74.214  7.0278  69.879  8.2035  4.335251       10.80220 
1 1 1 -8  28  27 f 32.117  7.4889  135.985    57.286   157.272    94.415   123.583    72.068   34.149  10.433  30.531  9.0680  3.617208       13.82314 
1 1 1 -8  28  28 o 55.389  7.1272  395.102    93.565   173.819    212.599  448.258    104.198  38.243  15.240  58.891  7.4592  -20.64853      16.96771 
1 1 1 -8  28  29 o 32.478  9.1111  142.968    74.717   0.0000     0.0000   142.968    74.717   ?       ?       32.478  9.1111  0.000000       9.111083 
1 1 1 -8  28  30 o 54.446  8.4493  394.091    108.004  0.0000     0.0000   394.091    108.004  ?       ?       54.446  8.4493  0.000000       8.449275 
1 1 1 -8  28  31 o 42.510  6.5176  234.326    65.083   277.682    100.003  202.470    85.721   44.919  9.4734  38.302  9.3136  6.616833       13.28493 
1 1 1 -8  28  32 f 41.090  6.6666  220.171    64.189   236.873    99.598   208.305    83.950   41.055  10.074  38.911  9.0607  2.144196       13.54908 
1 1 1 -8  28  33 o 54.969  7.5680  397.316    98.264   79.686     234.908  464.683    108.184  34.133  14.928  59.442  7.6804  -25.30834      16.78833 
1 1 1 -8  28  34 o 72.273  6.6103  671.221    114.637  838.834    270.027  634.370    126.613  72.361  15.821  69.621  7.6194  2.739944       17.55981 
1 1 1 -8  28  35 o 38.990  6.8457  199.400    62.402   183.660    96.381   210.760    81.880   36.065  10.425  39.252  8.8129  -3.187580      13.65105 
1 1 1 -8  28  36 o 31.666  9.1076  137.954    73.725   99.875     96.462   191.441    114.326  28.529  10.539  36.475  11.535  -7.945805      15.62404 
1 1 1 -8  28  37 o 22.034  8.6515  45.556     67.574   5.8726     85.963   109.733    109.321  21.040  9.1181  29.712  11.171  -8.672333      14.41946 
1 1 1 -8  28  38 o 72.179  7.6908  690.605    132.618  745.443    146.480  441.305    312.317  74.565  8.2335  47.462  18.611  27.10332       20.35066 
1 1 1 -8  29  1  o 45.060  8.1016  255.932    85.320   224.383    140.523  274.353    107.378  42.299  12.685  46.394  9.8435  -4.095501      16.05636 
1 1 1 -8  29  2  o 140.248 5.9965  2398.41    204.061  2568.98    309.665  2267.49    271.298  144.454 8.8779  135.814 8.2720  8.639633       12.13437 
1 1 1 -8  29  3  f 252.939 6.5357  7810.56    401.118  7917.33    495.861  7608.42    682.287  254.256 8.0376  248.096 11.334  6.159546       13.89466 
1 1 1 -8  29  4  o 91.626  4.0136  1021.07    89.233   1100.47    123.562  934.522    129.001  94.877  5.3896  87.302  6.1286  7.574524       8.161376 
1 1 1 -8  29  5  o 131.536 4.2326  2105.23    135.089  2152.29    188.967  2056.04    193.192  132.819 5.8635  129.781 6.1350  3.038086       8.486399 
1 1 1 -8  29  6  o 143.377 4.3905  2502.46    152.743  2635.45    213.727  2363.62    218.371  146.923 5.9952  139.067 6.4715  7.855453       8.821769 
1 1 1 -8  29  7  o 66.703  4.2996  543.929    69.218   528.719    96.175   560.272    99.697   65.500  6.1224  67.437  6.1609  -1.936134      8.685644 
1 1 1 -8  29  8  o 157.542 4.4974  3024.06    171.920  3050.51    242.313  2997.25    243.958  157.899 6.3246  156.493 6.4247  1.405380       9.015423 
1 1 1 -8  29  9  o 338.968 7.3327  14116.84   603.099  14285.63   851.041  13946.57   854.794  338.884 10.350  334.697 10.526  4.187347       14.76171 
1 1 1 -8  29  10 o 173.376 4.7311  3668.37    199.027  3726.29    279.592  3608.86    283.380  174.252 6.6128  171.424 6.8129  2.827896       9.494441 
1 1 1 -8  29  11 o 49.001  4.7696  295.981    55.991   341.833    78.136   247.586    80.273   52.418  6.2677  44.165  7.7748  8.253284       9.986577 
1 1 1 -8  29  12 o 89.933  4.0132  986.441    87.574   971.656    123.282  1001.50    124.422  88.831  5.7505  90.198  5.7146  -1.367195      8.107120 
1 1 1 -8  29  13 o 88.044  4.0585  946.115    86.701   955.802    122.568  936.413    122.659  88.043  5.7694  87.125  5.8359  0.9179840      8.206329 
1 1 1 -8  29  14 o 123.843 4.2135  1874.10    126.612  1905.42    177.924  1841.98    180.209  124.449 5.8923  122.307 6.0724  2.142006       8.461273 
1 1 1 -8  29  15 o 108.468 4.1767  1438.47    109.927  1514.24    154.520  1360.83    156.418  110.758 5.7697  104.850 6.1755  5.908295       8.451413 
1 1 1 -8  29  16 o 13.759  6.0766  -11.5029   39.799   -56.3576   51.388   55.724     62.912   13.122  6.1904  23.231  8.5223  -10.10930      10.53331 
1 1 1 -8  29  17 f 80.321  5.0948  796.365    98.779   828.654    114.387  701.672    195.889  81.734  5.8056  72.896  11.453  8.837601       12.83996 
1 1 1 -8  29  18 o 67.551  5.5834  566.829    90.696   560.212    100.486  595.912    210.657  66.955  6.2579  65.810  13.640  1.144707       15.00724 
1 1 1 -8  29  19 o 93.932  7.3493  1110.22    166.168  1110.22    166.168  0.0000     0.0000   93.932  7.3493  ?       ?       0.000000       7.349313 
1 1 1 -8  29  20 o 37.299  9.1499  183.967    82.183   183.967    82.183   0.0000     0.0000   37.299  9.1499  ?       ?       0.000000       9.149907 
1 1 1 -8  29  21 f 43.229  7.6013  241.097    76.820   236.952    84.949   259.701    179.962  42.555  8.5242  43.639  14.524  -1.083916      16.84096 
1 1 1 -8  29  22 o 77.257  7.4033  756.448    137.080  756.448    137.080  0.0000     0.0000   77.257  7.4033  ?       ?       0.000000       7.403334 
1 1 1 -8  29  23 o 59.762  5.1225  444.350    73.562   460.755    104.695  428.354    103.382  60.106  7.3306  57.843  7.5457  2.262325       10.52025 
1 1 1 -8  29  24 o 75.851  4.7664  712.673    87.277   756.971    121.761  665.863    125.166  77.495  6.5365  72.348  7.2268  5.147308       9.744372 
1 1 1 -8  29  25 o 42.419  6.4213  230.217    64.024   261.326    91.166   199.944    89.935   44.362  8.7803  38.429  9.6568  5.933311       13.05172 
1 1 1 -8  29  26 o 85.886  4.7212  915.375    98.011   1023.71    138.151  805.597    139.069  90.038  6.3646  79.324  7.3076  10.71441       9.690697 
1 1 1 -8  29  27 o 65.277  7.2391  548.744    112.729  578.125    229.316  539.381    129.450  61.252  15.435  64.006  8.5489  -2.754227      17.64477 
1 1 1 -8  29  28 f 47.527  9.2959  306.619    103.359  0.0000     0.0000   306.619    103.359  ?       ?       47.527  9.2959  0.000000       9.295896 
1 1 1 -8  29  29 f 75.639  5.3790  719.900    98.078   795.762    134.475  633.688    143.356  78.504  7.1377  68.950  8.7670  9.554550       11.30517 
1 1 1 -8  29  30 o 55.356  5.5090  388.509    73.012   384.707    108.005  391.709    99.081   53.505  8.6114  54.510  7.7060  -1.004917      11.55587 
1 1 1 -8  29  31 o 57.972  5.4482  425.833    75.737   376.638    112.144  467.087    102.695  52.558  9.1246  59.818  7.2216  -7.259380      11.63660 
1 1 1 -8  29  32 o 61.433  5.3238  477.056    78.572   327.216    114.822  609.011    107.751  48.288  10.123  68.797  6.5333  -20.50840      12.04861 
1 1 1 -8  29  33 o 65.451  5.3482  541.145    84.193   585.599    122.232  501.015    116.135  66.751  7.6872  61.519  7.9674  5.232361       11.07122 
1 1 1 -8  29  34 o 63.801  5.9719  519.291    91.375   500.777    118.426  546.527    143.639  61.393  8.1515  63.104  9.6909  -1.710865      12.66340 
1 1 1 -8  29  35 o 32.382  8.9126  144.710    72.235   71.214     93.302   254.682    114.130  26.075  10.186  41.907  11.062  -15.83231      15.03760 
1 1 1 -8  29  36 o 32.268  8.8478  144.361    71.346   179.630    91.589   89.932     113.780  35.491  10.134  28.454  11.209  7.037264       15.11072 
1 1 1 -8  29  37 o 61.866  8.6548  521.718    126.363  615.959    137.622  15.382     318.995  67.308  8.6251  34.238  15.914  33.06964       18.10109 
1 1 1 -8  30  1  o 128.623 4.2537  2012.76    132.756  1919.67    184.658  2112.33    190.993  125.433 6.0673  131.587 5.9819  -6.154305      8.520276 
1 1 1 -8  30  2  o 171.909 4.6459  3597.95    193.792  3436.40    270.573  3768.11    277.694  167.698 6.6495  175.630 6.5163  -7.932327      9.310149 
1 1 1 -8  30  3  o 26.043  7.0703  85.707     45.826   82.558     62.226   89.439     67.739   26.326  8.5295  27.406  8.9009  -1.079935      12.32798 
1 1 1 -8  30  4  o 209.887 5.8860  5378.52    299.756  5104.90    499.217  5532.80    374.854  203.223 10.124  212.523 7.2693  -9.299881      12.46346 
1 1 1 -8  30  5  o 119.252 4.1752  1731.29    120.812  1680.22    168.707  1785.05    173.083  117.123 5.9561  120.882 5.9011  -3.758499      8.384371 
1 1 1 -8  30  6  o 74.945  4.1506  686.056    75.183   681.133    104.351  691.370    108.416  74.431  5.8244  74.959  6.0114  -0.5282745     8.370239 
1 1 1 -8  30  7  o 49.519  4.7835  301.875    56.760   259.273    78.749   347.937    81.884   45.365  7.4101  52.896  6.5177  -7.531185      9.868616 
1 1 1 -8  30  8  o 251.764 5.9884  7763.54    365.820  7748.45    515.316  7778.86    519.404  250.328 8.4840  250.790 8.5356  -0.4618835     12.03471 
1 1 1 -8  30  9  o 28.328  6.6259  102.520    44.732   63.368     63.085   142.110    63.437   24.186  8.5776  33.262  7.9653  -9.076262      11.70564 
1 1 1 -8  30  10 o 91.248  4.0688  1015.64    90.085   1078.80    126.283  950.195    128.545  93.658  5.5823  87.766  6.0736  5.891815       8.249248 
1 1 1 -8  30  11 o 147.422 4.4470  2655.69    159.072  2666.42    224.062  2644.79    225.874  147.200 6.2733  146.576 6.3510  0.6238708      8.926878 
1 1 1 -8  30  12 o 99.435  4.0939  1207.63    98.773   1311.66    138.652  1100.45    140.744  103.195 5.5579  94.324  6.1838  8.870804       8.314406 
1 1 1 -8  30  13 o 45.428  4.9863  256.048    54.059   227.949    75.262   285.996    77.698   42.204  7.6303  47.585  6.9331  -5.381058      10.30968 
1 1 1 -8  30  14 o 126.060 4.2958  1945.03    131.397  2028.11    185.426  1861.23    186.223  128.203 5.9609  122.550 6.2837  5.652893       8.661249 
1 1 1 -8  30  15 o 77.853  4.1744  744.071    78.568   745.957    111.246  742.195    110.979  77.484  5.9629  77.286  5.9641  0.1972427      8.433659 
1 1 1 -8  30  16 o 85.405  4.1585  893.431    86.176   967.175    121.368  818.450    122.381  88.320  5.6937  81.026  6.2737  7.294022       8.472195 
1 1 1 -8  30  17 o 58.498  6.1479  428.704    85.958   409.629    101.931  475.667    159.936  56.702  7.6000  59.534  11.488  -2.832539      13.77435 
1 1 1 -8  30  18 o 63.463  7.4992  511.655    113.246  511.655    113.246  0.0000     0.0000   63.463  7.4992  ?       ?       0.000000       7.499191 
1 1 1 -8  30  19 o 55.026  7.6018  387.081    98.786   387.081    98.786   0.0000     0.0000   55.026  7.6018  ?       ?       0.000000       7.601793 
1 1 1 -8  30  20 o 64.674  6.5479  526.672    101.338  492.012    116.126  637.352    207.516  61.980  7.9015  67.916  13.067  -5.936508      15.27022 
1 1 1 -8  30  21 o 54.762  5.5862  375.322    73.188   355.257    102.008  396.607    105.066  52.316  8.3141  55.443  8.0449  -3.126900      11.56917 
1 1 1 -8  30  22 o 70.198  4.8672  611.103    82.390   715.334    114.902  500.804    118.200  75.427  6.3370  62.350  7.9973  13.07710       10.20365 
1 1 1 -8  30  23 o 55.858  5.3688  390.560    71.869   479.680    100.002  295.356    103.358  61.409  6.8269  47.013  9.3895  14.39648       11.60897 
1 1 1 -8  30  24 o 72.380  4.8740  651.452    85.100   729.457    116.972  563.738    124.037  75.956  6.4066  66.006  7.9018  9.949715       10.17265 
1 1 1 -8  30  25 o 45.872  8.2897  278.549    88.872   149.519    185.302  317.095    101.281  36.043  14.271  48.731  8.8934  -12.68792      16.81505 
1 1 1 -8  30  26 o 14.761  6.8547  -45.9378   58.960   118.352    173.021  -67.5221   62.714   33.694  13.636  14.327  6.7830  19.36648       15.22996 
1 1 1 -8  30  27 o 22.804  8.9599  47.392     72.523   0.0000     0.0000   47.392     72.523   ?       ?       22.804  8.9599  0.000000       8.959861 
1 1 1 -8  30  28 o 42.410  6.6986  234.322    66.643   216.867    102.968  246.903    87.422   39.064  10.595  42.609  8.7488  -3.544365      13.74051 
1 1 1 -8  30  29 o 71.432  5.2222  642.952    89.886   751.076    129.676  542.959    124.705  76.071  7.1079  63.880  8.2374  12.19072       10.88013 
1 1 1 -8  30  30 f 43.952  6.8151  252.894    70.327   319.534    105.554  199.697    94.308   48.091  9.3827  37.509  10.126  10.58196       13.80474 
1 1 1 -8  30  31 o 50.254  6.0758  324.788    72.582   231.544    107.753  402.235    98.202   40.035  10.830  55.218  7.5256  -15.18253      13.18828 
1 1 1 -8  30  32 o 51.575  6.1374  342.146    75.296   259.666    109.152  417.029    104.004  42.559  10.608  56.054  7.8631  -13.49477      13.20418 
1 1 1 -8  30  33 o 111.800 5.1715  1567.99    140.287  1201.47    185.913  2052.66    213.788  95.345  8.1133  126.026 7.0192  -30.68102      10.72817 
1 1 1 -8  30  34 o 31.797  9.2882  140.474    76.149   172.689    95.459   84.105     126.274  34.800  10.459  28.809  11.653  5.991449       15.65832 
1 1 1 -8  30  35 o 33.477  10.143  159.616    89.504   153.310    94.901   210.379    269.246  32.840  10.522  38.786  16.458  -5.946804      19.53459 
1 1 1 -8  30  36 o 29.656  10.505  119.976    94.592   110.933    101.002  184.516    269.839  29.101  10.777  37.248  16.149  -8.147110      19.41438 
1 1 1 -8  31  1  o 281.848 7.2542  9730.33    496.100  9480.22    838.581  9865.00    615.329  275.599 12.540  283.083 8.9584  -7.483887      15.41130 
1 1 1 -8  31  2  o 279.669 6.2383  9560.96    423.323  9419.61    595.164  9705.68    602.235  276.534 8.8700  280.715 8.8417  -4.181244      12.52411 
1 1 1 -8  31  3  o 166.618 4.5868  3382.91    185.438  3251.12    259.277  3520.91    265.326  162.968 6.5569  169.620 6.4467  -6.652298      9.195269 
1 1 1 -8  31  4  o 138.929 4.2537  2351.31    143.392  2295.50    200.458  2409.80    205.199  136.985 6.0309  140.355 6.0253  -3.369949      8.525075 
1 1 1 -8  31  5  o 47.717  5.3200  281.559    60.547   275.257    89.957   286.779    81.867   46.576  8.2625  47.778  7.2929  -1.202007      11.02066 
1 1 1 -8  31  6  o 146.954 4.4176  2634.02    157.520  2693.11    220.236  2572.14    225.387  148.230 6.1234  144.790 6.4154  3.439438       8.868664 
1 1 1 -8  31  7  o 214.285 5.4029  5620.00    280.919  5373.68    394.719  5872.82    399.890  208.548 7.8004  218.141 7.5551  -9.592773      10.85939 
1 1 1 -8  31  8  o 47.378  4.8955  277.352    55.466   251.917    76.880   304.962    80.101   44.611  7.3591  49.295  6.8847  -4.684677      10.07749 
1 1 1 -8  31  9  o 138.476 4.3450  2342.55    145.993  2178.61    203.967  2514.78    209.058  133.032 6.3189  143.023 6.0242  -9.990189      8.730344 
1 1 1 -8  31  10 o 180.579 4.8931  3994.42    214.398  3954.63    301.276  4035.24    305.169  178.811 6.9439  180.614 6.9635  -1.803558      9.834027 
1 1 1 -8  31  11 f 91.093  4.1001  1014.21    90.624   999.310    127.737  1029.30    128.589  89.887  5.8893  91.246  5.8387  -1.359085      8.293015 
1 1 1 -8  31  12 o 71.644  4.2385  630.238    73.353   623.570    101.391  637.560    106.253  70.854  5.9527  71.587  6.1776  -0.7330017     8.578883 
1 1 1 -8  31  13 o 153.154 4.5684  2876.63    169.768  2804.47    238.584  2950.64    241.622  150.376 6.5388  154.288 6.4542  -3.912399      9.187628 
1 1 1 -8  31  14 o 62.671  4.3791  483.871    66.172   554.688    92.324   409.058    94.893   66.769  5.7549  56.895  7.0227  9.873959       9.079501 
1 1 1 -8  31  15 o 122.364 4.3100  1836.51    127.967  1738.81    179.311  1937.92    182.682  118.192 6.2750  125.051 6.0207  -6.858757      8.696188 
1 1 1 -8  31  16 o 87.930  5.9544  962.751    126.290  994.401    153.865  897.408    221.084  88.852  7.1988  82.168  11.396  6.683609       13.47905 
1 1 1 -8  31  17 o 101.604 7.4423  1303.24    182.202  1303.24    182.202  0.0000     0.0000   101.604 7.4423  ?       ?       0.000000       7.442350 
1 1 1 -8  31  18 o 67.125  7.4685  573.066    119.578  573.066    119.578  0.0000     0.0000   67.125  7.4685  ?       ?       0.000000       7.468482 
1 1 1 -8  31  19 o 64.906  4.5938  521.093    71.879   574.799    98.446   459.769    105.196  67.723  6.0548  60.035  7.3768  7.688061       9.543487 
1 1 1 -8  31  20 o 83.294  5.0567  860.531    101.715  847.487    134.929  877.699    154.805  81.918  6.8512  82.908  7.7864  -0.9902191     10.37150 
1 1 1 -8  31  21 o 62.388  5.0956  484.843    76.462   482.178    112.404  487.138    104.316  61.202  7.7424  61.804  7.0841  -0.6016731     10.49428 
1 1 1 -8  31  22 o 59.741  5.3159  446.595    76.252   539.473    109.206  358.235    106.517  65.001  7.0364  52.107  8.7339  12.89432       11.21568 
1 1 1 -8  31  23 o 20.049  7.6960  37.318     52.557   29.902     77.479   43.639     71.531   22.075  9.0526  22.557  8.8871  -0.4820557     12.68576 
1 1 1 -8  31  24 o 10.826  5.3297  -100.9855  49.430   -49.8639   147.060  -107.4969  52.484   24.649  11.215  11.135  5.4841  13.51346       12.48371 
1 1 1 -8  31  25 o 19.883  8.3520  15.626     68.217   80.978     176.143  4.0948     73.991   31.886  13.409  19.772  8.5141  12.11440       15.88362 
1 1 1 -8  31  26 o 41.847  9.9192  244.409    99.182   0.0000     0.0000   244.409    99.182   ?       ?       41.847  9.9192  0.000000       9.919247 
1 1 1 -8  31  27 o 48.138  6.7283  301.433    76.440   344.343    124.556  275.508    96.815   49.182  10.738  44.728  9.2270  4.454426       14.15811 
1 1 1 -8  31  28 o 76.900  5.0994  744.404    94.610   797.929    136.200  694.494    131.521  78.216  7.2593  72.718  7.5647  5.497528       10.48441 
1 1 1 -8  31  29 o 11.781  5.6238  -55.6953   44.927   -142.3243  86.323   -23.5123   52.615   14.911  7.2786  14.907  6.7532  0.3698349E-02  9.928951 
1 1 1 -8  31  30 o 80.596  5.0096  817.140    97.483   686.542    137.339  949.741    138.389  71.895  8.0089  85.739  6.7055  -13.84322      10.44542 
1 1 1 -8  31  31 o 49.974  6.2071  322.362    73.644   269.539    107.088  369.758    101.438  43.462  10.310  52.449  8.2427  -8.986809      13.20019 
1 1 1 -8  31  32 o 74.491  5.7890  706.620    103.812  631.211    133.813  820.619    164.526  68.804  8.1753  77.961  8.8545  -9.157089      12.05148 
1 1 1 -8  31  33 o 54.278  7.5884  391.046    97.207   281.254    128.733  536.690    148.270  43.301  11.890  61.727  10.260  -18.42573      15.70432 
1 1 1 -8  31  34 o 32.699  10.775  152.909    99.132   131.341    106.478  293.237    271.597  30.977  11.127  41.595  16.991  -10.61823      20.30978 
1 1 1 -8  31  35 o 50.839  9.4883  365.473    112.739  370.283    122.213  338.007    292.039  50.542  10.315  42.419  17.506  8.122364       20.31885 
1 1 1 -8  32  1  o 76.543  4.1287  715.567    76.395   715.045    104.800  716.158    111.598  76.284  5.7032  76.278  6.0802  0.6080627E-02  8.336337 
1 1 1 -8  32  2  o 70.846  4.2389  613.757    72.534   589.443    99.198   641.692    106.330  69.153  5.9704  72.144  6.1323  -2.990936      8.558696 
1 1 1 -8  32  3  o 161.729 4.5627  3190.74    179.051  3221.96    249.809  3157.74    256.767  162.104 6.3511  160.414 6.5968  1.690201       9.157200 
1 1 1 -8  32  4  o 38.481  5.6615  185.070    51.282   154.145    67.988   225.885    78.108   34.633  8.2148  42.113  7.9350  -7.479988      11.42130 
1 1 1 -8  32  5  o 19.449  6.9309  40.115     41.235   -6.6640    54.461   102.959    63.123   16.762  7.2610  28.591  8.4855  -11.82895      11.16808 
1 1 1 -8  32  6  o 184.447 5.5480  4171.13    248.298  4042.80    408.990  4246.04    312.471  179.602 9.4179  185.547 6.9405  -5.945236      11.69902 
1 1 1 -8  32  7  o 199.669 5.1045  4884.26    247.304  4834.91    347.408  4934.95    352.120  197.687 7.2426  199.709 7.2666  -2.021820      10.25957 
1 1 1 -8  32  8  o 118.733 4.1792  1722.63    120.400  1756.95    168.444  1686.77    172.158  119.514 5.8086  116.871 6.0920  2.642159       8.417424 
1 1 1 -8  32  9  o 112.734 4.1660  1553.88    113.957  1520.65    159.297  1588.70    163.089  110.929 5.9399  113.388 5.9486  -2.458534      8.406399 
1 1 1 -8  32  10 o 62.244  4.3632  476.653    65.480   453.770    89.485   503.030    96.073   60.295  6.2051  63.482  6.3212  -3.186733      8.857851 
1 1 1 -8  32  11 o 94.105  4.1753  1084.22    95.338   1152.34    134.066  1014.53    135.604  96.460  5.7542  90.329  6.2250  6.131004       8.477131 
1 1 1 -8  32  12 o 42.282  5.2054  223.351    52.276   247.270    73.854   199.334    74.004   43.996  7.1648  39.164  8.0565  4.832275       10.78153 
1 1 1 -8  32  13 o 23.851  7.0172  72.368     43.325   116.006    57.971   17.156     65.207   29.836  7.8877  19.960  8.2574  9.876698       11.41930 
1 1 1 -8  32  14 o 37.352  7.6864  181.422    67.340   191.785    76.220   144.559    143.750  38.221  8.4438  35.077  12.880  3.143642       15.40115 
1 1 1 -8  32  15 o 60.747  6.3558  464.125    92.295   474.659    108.759  437.017    174.471  61.026  7.5029  55.999  13.077  5.027760       15.07690 
1 1 1 -8  32  16 o 94.592  7.3763  1131.53    167.961  1131.53    167.961  0.0000     0.0000   94.592  7.3763  ?       ?       0.000000       7.376302 
1 1 1 -8  32  17 o 79.765  7.2215  805.973    138.251  805.973    138.251  0.0000     0.0000   79.765  7.2215  ?       ?       0.000000       7.221460 
1 1 1 -8  32  18 o 46.905  5.5499  276.494    61.940   306.664    81.579   235.428    95.176   48.933  7.0764  41.908  9.5700  7.024788       11.90215 
1 1 1 -8  32  19 o 44.128  6.2689  247.842    65.236   169.175    94.535   319.360    90.137   35.418  10.350  49.655  7.7331  -14.23708      12.91979 
1 1 1 -8  32  20 o 54.115  5.3965  367.244    69.914   355.519    101.075  378.000    96.809   52.135  8.2658  54.085  7.5855  -1.950104      11.21887 
1 1 1 -8  32  21 o 18.964  7.4337  29.657     49.815   10.742     78.952   42.168     64.210   20.919  8.8957  21.732  8.4614  -0.8133564     12.27710 
1 1 1 -8  32  22 o 28.474  8.8128  106.860    67.117   42.359     158.520  120.949    74.086   29.345  12.545  30.124  9.2483  -0.7790604     15.58537 
1 1 1 -8  32  23 o 17.847  7.4899  11.166     54.781   -360.4520  151.837  66.778     58.737   17.493  8.7348  23.614  8.2861  -6.120237      12.03981 
1 1 1 -8  32  24 o 15.902  7.2767  -35.4120   63.055   285.451    175.523  -82.9574   67.566   43.179  14.343  14.384  6.8748  28.79468       15.90528 
1 1 1 -8  32  25 o 14.004  6.6702  -72.6520   62.480   0.0000     0.0000   -72.6520   62.480   ?       ?       14.004  6.6702  0.000000       6.670234 
1 1 1 -8  32  26 o 66.967  5.6179  569.698    90.441   603.245    141.271  546.400    117.729  66.739  8.9493  64.344  7.6933  2.395309       11.80155 
1 1 1 -8  32  27 f 76.509  5.1424  738.387    94.909   915.907    136.012  569.915    132.499  84.147  6.7175  64.973  8.6172  19.17445       10.92619 
1 1 1 -8  32  28 o 19.894  7.8126  35.747     55.114   77.858     93.629   13.418     68.177   26.447  10.240  19.508  8.2802  6.938295       13.16851 
1 1 1 -8  32  29 o 23.498  8.3685  67.287     60.106   39.094     94.134   86.692     78.099   23.772  9.8850  26.346  9.5210  -2.574665      13.72452 
1 1 1 -8  32  30 o 44.132  6.8132  255.852    70.607   311.972    102.911  205.937    97.054   47.412  9.2778  37.855  10.295  9.556973       13.85840 
1 1 1 -8  32  31 o 53.007  6.9696  368.458    87.468   400.194    110.595  315.450    142.932  54.210  8.7024  45.403  12.554  8.806614       15.27493 
1 1 1 -8  32  32 o 80.681  5.7093  830.002    111.047  658.635    143.315  1087.46    175.663  69.679  8.6637  90.269  8.1065  -20.59031      11.86487 
1 1 1 -8  32  33 o 56.868  8.9828  447.111    119.834  390.229    131.109  735.815    295.375  51.678  10.804  61.416  18.385  -9.737740      21.32421 
1 1 1 -8  33  1  o 199.295 5.0595  4853.74    244.664  4804.13    342.744  4905.27    349.366  197.563 7.1499  199.607 7.2134  -2.043228      10.15650 
1 1 1 -8  33  2  o 92.681  4.0724  1047.41    91.580   996.393    127.047  1102.60    132.130  89.970  5.8516  94.678  5.7793  -4.708237      8.224433 
1 1 1 -8  33  3  o 37.192  5.7050  173.425    49.840   202.204    65.187   132.926    77.329   39.949  6.9790  32.270  9.3410  7.679104       11.66019 
1 1 1 -8  33  4  o 33.538  6.2531  142.679    49.013   187.995    64.872   82.401     74.819   38.408  7.2262  26.917  9.3571  11.49041       11.82261 
1 1 1 -8  33  5  o 95.792  4.5718  1122.38    106.262  1105.88    165.911  1133.85    138.366  94.226  7.3140  95.826  5.9808  -1.600075      9.447988 
1 1 1 -8  33  6  o 84.185  4.0988  865.967    83.726   753.928    115.722  989.037    121.285  77.971  6.1670  89.523  5.6119  -11.55216      8.338219 
1 1 1 -8  33  7  o 51.214  5.2406  325.460    64.205   411.140    94.502   252.005    87.501   57.188  6.9535  44.172  8.4723  13.01601       10.96043 
1 1 1 -8  33  8  o 14.798  6.2942  1.1094     39.541   65.365     53.110   -78.8035   59.228   23.495  7.8910  13.453  6.4317  10.04222       10.18015 
1 1 1 -8  33  9  o 36.040  5.8835  164.418    49.674   183.980    68.265   142.402    72.419   37.705  7.7215  32.999  8.8586  4.705589       11.75141 
1 1 1 -8  33  10 o 56.161  4.5544  389.654    61.528   462.749    84.878   308.708    89.320   60.911  5.8135  49.066  7.7605  11.84471       9.696532 
1 1 1 -8  33  11 o 104.774 4.2002  1346.15    106.781  1191.21    149.397  1507.97    152.679  97.711  6.3355  110.251 5.7271  -12.54058      8.540387 
1 1 1 -8  33  12 o 99.421  5.9404  1230.45    142.650  1246.50    176.370  1200.08    242.572  99.400  7.3650  95.582  10.640  3.817993       12.94016 
1 1 1 -8  33  13 f 43.364  7.3471  242.172    74.545   236.929    86.965   256.694    144.746  42.426  8.7387  43.107  12.862  -0.6800690     15.55005 
1 1 1 -8  33  14 o 99.233  5.9901  1228.49    143.553  1312.84    176.323  1062.66    247.222  101.997 7.1701  88.885  11.751  13.11189       13.76577 
1 1 1 -8  33  15 o 90.174  7.3652  1030.77    159.744  1030.77    159.744  0.0000     0.0000   90.174  7.3652  ?       ?       0.000000       7.365243 
1 1 1 -8  33  16 o 22.701  8.4471  53.134     62.199   53.134     62.199   0.0000     0.0000   22.701  8.4471  ?       ?       0.000000       8.447121 
1 1 1 -8  33  17 o 66.988  6.5773  567.687    105.530  560.043    117.303  600.135    241.681  66.162  7.4358  63.318  15.786  2.843212       17.44934 
1 1 1 -8  33  18 o 38.760  6.7045  193.860    60.773   187.079    89.916   199.562    82.459   37.129  9.8272  38.581  8.9771  -1.452415      13.31023 
1 1 1 -8  33  19 o 97.201  4.6031  1167.92    108.563  1369.50    153.134  964.224    153.931  104.382 6.0724  86.798  7.3789  17.58479       9.556290 
1 1 1 -8  33  20 o 70.024  4.9271  611.582    83.182   641.388    121.101  584.958    114.455  70.676  7.1606  67.503  7.0941  3.173302       10.07968 
1 1 1 -8  33  21 o 63.804  6.8889  523.282    104.958  827.093    198.343  405.119    123.697  77.492  10.846  54.582  9.6950  22.90952       14.54737 
1 1 1 -8  33  22 o 84.051  6.6558  904.258    134.630  778.986    246.980  957.217    160.585  71.217  14.777  85.667  7.8114  -14.44962      16.71451 
1 1 1 -8  33  23 o 21.772  8.6431  40.939     68.136   -98.3707   164.283  69.881     74.880   24.133  11.285  24.837  9.2631  -0.7038269     14.59948 
1 1 1 -8  33  24 o 19.268  8.0694  16.986     63.366   0.0000     0.0000   16.986     63.366   ?       ?       19.268  8.0694  0.000000       8.069407 
1 1 1 -8  33  25 o 53.934  8.6166  395.021    108.966  0.0000     0.0000   395.021    108.966  ?       ?       53.934  8.6166  0.000000       8.616620 
1 1 1 -8  33  26 o 17.533  7.3437  13.234     52.491   -86.6905   83.928   77.431     67.271   16.360  7.7750  24.905  8.8550  -8.544985      11.78393 
1 1 1 -8  33  27 o 43.644  6.9573  251.824    71.203   318.778    110.322  204.021    93.218   47.400  9.9111  37.688  10.021  9.711964       14.09411 
1 1 1 -8  33  28 o 31.093  8.3594  133.490    64.430   240.162    101.206  60.797     83.547   40.808  10.238  24.423  9.6102  16.38484       14.04193 
1 1 1 -8  33  29 o 66.233  7.2430  576.810    114.504  892.880    141.003  -35.2322   196.213  82.651  7.0999  27.797  12.762  54.85390       14.60436 
1 1 1 -8  33  30 o 34.419  9.2007  166.827    78.317   179.670    99.524   145.940    126.919  35.167  10.705  32.567  12.077  2.600571       16.13796 
1 1 1 -8  33  31 o 31.587  9.4094  140.868    77.511   174.740    96.138   77.951     131.025  34.658  10.514  28.354  11.716  6.304249       15.74191 
1 1 1 -8  33  32 o 57.461  9.0766  459.770    122.347  437.920    132.799  582.409    314.618  55.054  10.321  51.821  19.051  3.232262       21.66680 
1 1 1 -8  34  1  o 67.560  4.2841  559.569    69.865   566.390    95.575   551.741    102.385  67.665  5.8797  66.657  6.4094  1.007874       8.697767 
1 1 1 -8  34  2  o 73.371  4.1577  659.512    73.714   635.526    100.386  687.580    108.592  71.684  5.8217  74.523  6.0579  -2.838829      8.401811 
1 1 1 -8  34  3  o 80.671  4.1660  797.271    81.266   790.006    111.730  805.432    118.416  79.939  5.7998  80.642  6.0969  -0.7027588     8.414858 
1 1 1 -8  34  4  o 52.663  4.7687  342.573    60.274   329.357    81.373   358.638    89.717   51.181  6.7145  53.335  7.1097  -2.154045      9.779181 
1 1 1 -8  34  5  o 62.136  4.4675  475.262    66.906   481.876    90.457   467.273    99.414   62.195  6.0716  61.026  6.8309  1.168438       9.139236 
1 1 1 -8  34  6  o 52.125  4.7998  336.260    60.024   325.344    82.011   348.854    88.088   50.756  6.8329  52.509  7.0955  -1.753315      9.850633 
1 1 1 -8  34  7  o 66.810  4.3314  549.350    69.837   594.811    97.188   500.816    100.419  69.137  5.8483  63.159  6.6528  5.977974       8.857875 
1 1 1 -8  34  8  o 28.152  6.5990  102.425    44.292   106.202    58.697   97.431     67.497   28.634  8.0906  27.840  8.8692  0.7940464      12.00504 
1 1 1 -8  34  9  o 112.122 4.1925  1541.92    114.059  1507.40    159.651  1577.90    163.009  110.082 5.9997  112.640 5.9857  -2.558182      8.474994 
1 1 1 -8  34  10 f 59.119  6.2887  439.535    88.824   409.862    105.837  510.229    163.359  56.481  7.9421  61.529  11.361  -5.048397      13.86139 
1 1 1 -8  34  11 o 90.748  5.9111  1027.12    129.447  1004.58    158.580  1072.13    224.094  89.058  7.4057  90.227  10.428  -1.168617      12.79025 
1 1 1 -8  34  12 o 60.939  6.3563  468.032    92.603   526.407    110.063  326.572    171.334  64.349  7.1711  47.891  13.916  16.45816       15.65510 
1 1 1 -8  34  13 o 39.007  7.5434  198.085    68.814   235.606    78.689   76.112     141.876  42.498  7.9224  30.520  12.349  11.97889       14.67197 
1 1 1 -8  34  14 o 51.649  5.3057  333.789    65.547   223.292    84.300   502.720    104.234  41.037  8.7343  62.888  6.9469  -21.85070      11.16004 
1 1 1 -8  34  15 o 119.405 6.5491  1793.50    189.019  1793.50    189.019  0.0000     0.0000   119.405 6.5491  ?       ?       0.000000       6.549107 
1 1 1 -8  34  16 o 52.394  8.5981  361.046    105.514  361.046    105.514  0.0000     0.0000   52.394  8.5981  ?       ?       0.000000       8.598070 
1 1 1 -8  34  17 o 48.582  6.0107  299.565    69.342   384.239    102.545  228.227    94.124   54.256  8.0321  40.975  9.6300  13.28100       12.53995 
1 1 1 -8  34  18 o 94.135  4.5890  1096.75    104.817  1142.35    147.721  1050.52    148.752  94.969  6.4488  90.844  6.7977  4.124985       9.369922 
1 1 1 -8  34  19 o 33.715  8.1863  152.813    66.299   219.148    162.657  139.597    72.603   39.207  13.787  32.088  8.9741  7.118401       16.45060 
1 1 1 -8  34  20 o 71.659  6.7912  659.753    116.673  694.685    220.711  646.206    137.447  68.099  13.829  70.013  8.2491  -1.914276      16.10276 
1 1 1 -8  34  21 o 20.978  8.4368  34.159     65.785   192.500    162.292  3.0264     71.962   36.956  13.666  19.376  8.3698  17.58004       16.02526 
1 1 1 -8  34  22 o 60.903  5.4674  470.421    79.934   368.192    109.638  586.415    116.787  51.924  9.0301  66.968  7.3057  -15.04455      11.61539 
1 1 1 -8  34  23 o 19.086  8.3864  -5.3493    74.901   0.0000     0.0000   -5.3493    74.901   ?       ?       19.086  8.3864  0.000000       8.386359 
1 1 1 -8  34  24 f 26.889  9.2235  95.235     72.579   0.0000     0.0000   95.235     72.579   ?       ?       26.889  9.2235  0.000000       9.223482 
1 1 1 -8  34  25 o 15.291  6.8455  -15.8962   52.284   23.176     82.316   -42.3181   67.692   21.586  9.1267  16.056  7.4166  5.530029       11.76020 
1 1 1 -8  34  26 o 10.463  5.1581  -95.7616   46.818   -157.4753  82.501   -66.4467   56.861   13.947  6.8703  13.300  6.3427  0.6475334      9.350435 
1 1 1 -8  34  27 o 36.637  7.5959  182.000    65.309   287.569    99.366   101.713    86.655   45.218  9.3647  27.904  10.036  17.31449       13.72682 
1 1 1 -8  34  28 o 48.177  7.2409  308.310    82.026   317.124    111.153  297.770    121.549  47.113  10.031  44.786  11.211  2.327530       15.04358 
1 1 1 -8  34  29 o 27.627  9.3025  102.971    73.812   190.424    96.127   -22.6691   115.218  36.140  10.401  22.243  10.042  13.89721       14.45801 
1 1 1 -8  34  30 o 56.439  6.6646  417.776    89.506   407.332    117.617  432.147    137.966  53.893  9.3324  54.301  10.851  -0.4079018     14.31197 
1 1 1 -8  34  31 o 31.345  10.807  141.982    99.706   151.711    107.453  81.711     267.436  32.198  11.212  33.368  15.159  -1.170784      18.85526 
1 1 1 -8  35  1  o 67.249  4.2684  555.270    69.288   487.179    95.184   632.021    101.056  62.504  6.3650  71.399  5.8857  -8.895058      8.669147 
1 1 1 -8  35  2  o 61.365  4.4333  463.438    65.566   451.009    89.106   478.112    96.823   60.125  6.1967  61.824  6.5543  -1.699413      9.019887 
1 1 1 -8  35  3  o 37.535  5.7595  177.605    50.780   190.224    67.150   160.747    77.609   38.446  7.4674  35.028  9.0624  3.417675       11.74259 
1 1 1 -8  35  4  o 129.572 4.3088  2057.30    135.465  2051.66    188.140  2063.38    195.208  128.786 6.0207  129.064 6.2335  -0.2780914     8.666333 
1 1 1 -8  35  5  o 54.367  4.6947  365.733    61.323   314.265    82.466   429.396    91.717   49.746  7.0278  58.426  6.5844  -8.680252      9.630447 
1 1 1 -8  35  6  o 62.208  4.4990  477.675    67.451   488.003    91.752   465.530    99.499   62.428  6.1365  60.720  6.8745  1.707970       9.214934 
1 1 1 -8  35  7  o 79.211  4.2704  772.337    81.773   787.799    112.988  755.331    118.497  79.488  5.9003  77.662  6.3437  1.826645       8.663507 
1 1 1 -8  35  8  o 77.205  5.9414  744.521    110.445  737.067    134.298  760.097    194.129  76.243  7.3505  75.575  10.902  0.6681213      13.14824 
1 1 1 -8  35  9  o 25.731  8.4833  81.891     61.446   65.286     69.355   142.495    132.498  24.505  8.9543  34.256  12.398  -9.750666      15.29338 
1 1 1 -8  35  10 o 37.628  7.6894  185.066    67.835   193.632    76.739   154.449    145.088  38.268  8.4867  35.490  12.954  2.778648       15.48627 
1 1 1 -8  35  11 o 72.756  6.1063  664.533    106.802  704.735    128.443  574.457    192.261  74.464  7.1986  64.132  12.804  10.33188       14.68847 
1 1 1 -8  35  12 o 41.963  5.5171  222.161    54.814   271.078    75.507   167.663    79.699   45.939  6.9948  35.373  9.1993  10.56570       11.55656 
1 1 1 -8  35  13 o 105.499 4.5887  1373.40    117.463  1362.85    162.975  1384.81    169.450  104.043 6.4880  104.754 6.7018  -0.7113037     9.327818 
1 1 1 -8  35  14 o 81.229  6.7225  836.258    131.306  836.258    131.306  0.0000     0.0000   81.229  6.7225  ?       ?       0.000000       6.722472 
1 1 1 -8  35  15 o 40.037  9.5744  217.951    91.755   217.951    91.755   0.0000     0.0000   40.037  9.5744  ?       ?       0.000000       9.574366 
1 1 1 -8  35  16 o 18.119  7.3072  21.740     49.498   -69.9094   80.066   78.437     62.974   16.760  7.8498  25.204  8.5920  -8.444012      11.63794 
1 1 1 -8  35  17 o 50.618  7.1849  332.724    85.768   505.177    183.393  284.446    97.034   58.623  13.209  45.886  9.0368  12.73751       16.00483 
1 1 1 -8  35  18 o 25.492  9.1717  77.622     72.373   272.190    160.972  28.327     81.024   42.551  13.712  22.147  9.1869  20.40402       16.50479 
1 1 1 -8  35  19 o 25.100  8.9032  76.929     67.968   150.951    161.221  60.930     74.955   34.470  13.411  24.064  9.2019  10.40618       16.26466 
1 1 1 -8  35  20 f 43.459  8.5285  256.876    86.721   134.273    183.169  292.297    98.454   34.061  13.938  46.094  9.1259  -12.03254      16.65956 
1 1 1 -8  35  21 o 24.853  8.0815  80.860     55.835   60.439     82.148   98.394     76.120   24.374  9.5482  27.400  9.4431  -3.026388      13.42911 
1 1 1 -8  35  22 o 10.939  5.4139  -115.8438  53.375   0.0000     0.0000   -115.8438  53.375   ?       ?       10.939  5.4139  0.000000       5.413895 
1 1 1 -8  35  23 f 17.947  7.7706  2.4679     62.315   0.0000     0.0000   2.4679     62.315   ?       ?       17.947  7.7706  0.000000       7.770575 
1 1 1 -8  35  24 o 16.786  7.2927  -0.3453    55.261   68.694     85.633   -49.6135   72.340   25.048  9.7662  16.308  7.5795  8.739910       12.36236 
1 1 1 -8  35  25 o 14.565  6.4526  -9.6546    45.215   -61.5283   79.755   14.914     54.888   16.743  7.8397  17.913  7.5065  -1.170231      10.85397 
1 1 1 -8  35  26 o 32.870  8.1138  149.469    64.322   88.861     96.217   198.440    86.489   27.179  10.418  37.235  9.5322  -10.05674      14.12067 
1 1 1 -8  35  27 f 35.922  8.8874  181.596    77.040   263.916    101.223  68.263     118.769  42.821  9.9345  27.044  11.163  15.77629       14.94324 
1 1 1 -8  35  28 o 35.296  8.9538  176.156    76.802   225.139    102.389  113.139    116.134  39.046  10.555  29.695  11.430  9.350986       15.55802 
1 1 1 -8  35  29 o 14.442  6.9341  -87.4214   70.499   -69.2887   94.826   -109.8284  105.412  18.158  8.5168  17.914  8.5687  0.2440910      12.08132 
1 1 1 -8  35  30 o 18.842  8.6543  -38.4674   90.357   -56.4937   98.465   57.672     227.393  18.952  8.8199  31.056  14.057  -12.10383      16.59479 
1 1 1 -8  36  1  o 38.408  5.5636  185.536    50.339   200.057    69.555   169.564    72.947   39.395  7.5514  36.002  8.4888  3.393017       11.36144 
1 1 1 -8  36  2  o 41.277  5.4103  213.566    52.883   247.574    70.831   170.734    79.491   44.109  6.8395  35.989  9.0981  8.119968       11.38219 
1 1 1 -8  36  3  o 80.299  4.2038  792.750    81.621   738.126    112.079  854.431    119.100  76.927  6.0535  82.829  5.9660  -5.902794      8.499285 
1 1 1 -8  36  4  o 43.861  5.2379  240.680    54.642   197.680    71.212   302.243    85.208   38.983  7.8010  48.549  7.4731  -9.565613      10.80286 
1 1 1 -8  36  5  o 20.427  7.8632  36.997     54.966   95.113     62.471   -162.2386  115.668  27.316  8.5101  18.227  8.7840  9.088251       12.23031 
1 1 1 -8  36  6  o 138.246 6.3950  2385.73    214.515  2495.32    273.669  2211.10    345.460  140.010 8.0901  129.103 11.137  10.90681       13.76526 
1 1 1 -8  36  7  o 102.446 5.9349  1310.31    146.895  1172.84    180.967  1575.84    251.514  95.896  7.8461  110.032 9.5142  -14.13597      12.33219 
1 1 1 -8  36  8  o 58.997  6.3436  439.706    89.382   497.492    104.558  282.854    172.262  62.529  7.0123  44.593  14.165  17.93653       15.80563 
1 1 1 -8  36  9  o 95.337  5.9625  1137.44    137.235  1100.96    168.684  1208.86    236.012  92.946  7.5447  95.474  10.354  -2.527550      12.81114 
1 1 1 -8  36  10 o 120.062 4.3895  1775.98    127.873  1657.79    178.340  1901.03    183.448  114.838 6.4261  123.324 6.1306  -8.485596      8.881382 
1 1 1 -8  36  11 o 47.680  6.1204  288.586    69.172   245.643    97.437   332.219    98.217   42.629  9.6454  50.337  8.3329  -7.708454      12.74636 
1 1 1 -8  36  12 o 85.975  4.6310  916.014    96.251   981.422    134.858  848.101    137.416  88.203  6.3436  81.619  7.0067  6.584099       9.451717 
1 1 1 -8  36  13 o 76.545  6.7672  745.631    124.391  745.631    124.391  0.0000     0.0000   76.545  6.7672  ?       ?       0.000000       6.767181 
1 1 1 -8  36  14 f 72.375  7.0208  671.185    121.743  671.185    121.743  0.0000     0.0000   72.375  7.0208  ?       ?       0.000000       7.020817 
1 1 1 -8  36  15 o 47.197  6.1530  284.975    68.789   312.587    103.062  262.792    92.376   48.077  9.1695  44.097  8.9395  3.979324       12.80600 
1 1 1 -8  36  16 o 70.029  6.7509  629.993    113.290  715.175    210.680  595.342    134.371  69.985  12.881  67.035  8.4488  2.950157       15.40483 
1 1 1 -8  36  17 o 60.198  7.1923  472.037    102.974  464.737    198.629  474.720    120.420  54.173  14.725  59.542  8.5830  -5.368874      17.04396 
1 1 1 -8  36  18 o 15.410  7.0921  -37.9450   61.086   -55.2825   147.792  -34.3727   67.085   24.066  11.059  16.473  7.5256  7.593197       13.37694 
1 1 1 -8  36  19 o 40.942  6.7638  220.589    64.847   209.284    99.242   229.012    85.663   38.099  10.430  40.653  8.9286  -2.554558      13.72997 
1 1 1 -8  36  20 o 31.127  7.8123  132.539    58.912   111.470    86.005   151.163    80.861   28.806  10.031  32.675  9.5789  -3.868990      13.87016 
1 1 1 -8  36  21 o 39.290  9.4920  220.114    89.478   0.0000     0.0000   220.114    89.478   ?       ?       39.290  9.4920  0.000000       9.491988 
1 1 1 -8  36  22 o 33.865  9.4497  164.298    80.598   0.0000     0.0000   164.298    80.598   ?       ?       33.865  9.4497  0.000000       9.449688 
1 1 1 -8  36  23 o 29.275  8.2716  119.159    61.353   232.158    89.857   20.473     83.974   40.330  9.3626  21.444  9.1479  18.88575       13.08980 
1 1 1 -8  36  24 o 55.747  6.0507  403.122    80.530   431.784    113.872  374.444    113.903  55.931  8.6715  51.432  9.4764  4.499237       12.84506 
1 1 1 -8  36  25 o 31.388  9.0576  139.503    72.810   183.222    95.044   77.399     113.278  35.298  10.396  27.178  11.021  8.119829       15.15069 
1 1 1 -8  36  26 o 21.112  8.5346  37.355     67.696   -27.0813   87.343   134.298    107.133  19.166  8.6901  30.942  11.156  -11.77633      14.14118 
1 1 1 -8  36  27 o 48.987  7.1126  320.258    82.071   301.355    110.307  343.698    122.833  45.373  10.260  48.121  10.787  -2.747787      14.88698 
1 1 1 -8  36  28 o 48.775  10.159  348.255    116.321  378.846    128.318  207.226    275.511  50.350  10.825  36.953  16.164  13.39729       19.45420 
1 1 1 -8  36  29 o 20.888  9.2247  2.6246     91.709   -6.5670    99.918   51.772     231.045  21.178  9.4735  30.662  13.992  -9.484394      16.89702 
1 1 1 -8  37  1  o 24.294  7.1088  75.447     44.572   32.742     61.403   123.011    64.802   20.773  8.2180  30.647  8.4442  -9.874393      11.78302 
1 1 1 -8  37  2  f 68.697  6.0427  590.898    99.700   693.838    119.653  357.117    180.317  74.220  6.7169  50.061  14.193  24.15966       15.70216 
1 1 1 -8  37  3  o 48.266  6.9167  297.478    78.688   245.221    92.545   433.839    149.495  42.977  9.1551  56.496  11.300  -13.51989      14.54336 
1 1 1 -8  37  4  o 122.055 6.2154  1863.47    183.465  1891.48    229.983  1814.46    304.250  121.917 7.8156  116.932 10.847  4.985176       13.36928 
1 1 1 -8  37  5  o 162.091 6.7636  3299.68    266.014  3239.45    342.224  3391.63    422.835  158.402 8.9405  159.685 10.980  -1.282166      14.15935 
1 1 1 -8  37  6  o 66.827  6.2124  562.706    99.581   604.036    119.463  468.597    180.267  68.800  7.2661  57.372  13.221  11.42856       15.08622 
1 1 1 -8  37  7  o 101.634 6.1581  1296.18    151.147  1436.65    186.125  1024.14    259.010  106.345 7.2565  85.726  12.848  20.61912       14.75539 
1 1 1 -8  37  8  o 61.885  4.5876  475.253    68.396   420.746    91.915   542.881    102.383  57.470  6.7182  65.445  6.5348  -7.974712      9.372172 
1 1 1 -8  37  9  o 33.982  7.9791  153.216    64.666   159.737    99.168   148.391    85.296   34.402  10.723  33.215  9.8652  1.186943       14.57061 
1 1 1 -8  37  10 o 30.019  8.0020  119.659    59.346   108.749    82.600   131.300    85.322   29.201  9.8407  31.462  9.9663  -2.260475      14.00597 
1 1 1 -8  37  11 o 71.848  4.8560  642.883    84.159   703.729    118.207  580.339    119.846  74.386  6.6183  67.065  7.4930  7.321266       9.997341 
1 1 1 -8  37  12 o 62.160  7.4400  500.237    109.984  500.237    109.984  0.0000     0.0000   62.160  7.4400  ?       ?       0.000000       7.440022 
1 1 1 -8  37  13 o 41.091  9.1651  230.240    89.054   230.240    89.054   0.0000     0.0000   41.091  9.1651  ?       ?       0.000000       9.165106 
1 1 1 -8  37  14 o 86.870  6.4363  962.819    134.701  1010.75    237.824  940.178    163.444  84.281  11.965  84.687  8.0509  -0.4055786     14.42185 
1 1 1 -8  37  15 o 95.694  6.4583  1171.39    149.081  1020.25    261.996  1243.76    181.292  82.591  13.543  97.558  7.7217  -14.96682      15.58991 
1 1 1 -8  37  16 o 65.892  6.8294  563.206    107.603  511.756    207.567  582.114    125.831  56.238  14.953  66.236  7.9908  -9.997753      16.95415 
1 1 1 -8  37  17 o 29.015  8.2233  115.076    60.543   96.227     93.307   128.782    79.567   27.866  10.351  30.480  9.6210  -2.614191      14.13151 
1 1 1 -8  37  18 o 73.164  5.1039  677.037    90.039   665.223    128.219  688.530    126.468  70.832  7.5779  72.279  7.3117  -1.446732      10.53026 
1 1 1 -8  37  19 o 21.391  7.6982  54.511     50.990   -15.0290   79.375   103.370    66.534   18.925  8.4563  27.489  8.8108  -8.563416      12.21225 
1 1 1 -8  37  20 o 36.293  9.8491  191.498    88.948   0.0000     0.0000   191.498    88.948   ?       ?       36.293  9.8491  0.000000       9.849105 
1 1 1 -8  37  21 o 27.719  9.0761  106.235    70.378   0.0000     0.0000   106.235    70.378   ?       ?       27.719  9.0761  0.000000       9.076097 
1 1 1 -8  37  22 o 41.179  6.9591  227.088    67.056   245.739    95.443   208.907    94.231   41.175  9.7108  37.665  10.102  3.510471       14.01276 
1 1 1 -8  37  23 o 49.392  6.6196  322.051    77.337   395.524    109.238  248.218    109.506  53.327  8.7457  40.578  10.893  12.74834       13.96956 
1 1 1 -8  37  24 o 26.065  9.2731  89.036     73.785   143.398    93.579   -0.3047    119.965  31.477  10.473  23.414  10.434  8.062656       14.78374 
1 1 1 -8  37  25 o 36.735  8.7281  190.788    76.646   170.027    100.316  219.905    118.801  33.798  10.817  37.688  11.735  -3.890625      15.95991 
1 1 1 -8  37  26 o 60.545  6.4155  480.832    92.812   349.451    120.483  672.588    145.557  48.543  10.532  69.538  8.8255  -20.99484      13.74077 
1 1 1 -8  37  27 o 37.260  11.046  214.395    107.014  215.375    118.481  210.056    249.342  36.910  11.750  36.259  15.621  0.6507492      19.54713 
1 1 1 -8  37  28 o 34.811  11.124  190.102    106.124  149.644    115.785  402.641    265.382  31.423  11.556  42.785  17.035  -11.36159      20.58454 
1 1 1 -8  38  1  o 88.760  6.0290  986.129    129.076  1014.84    157.486  927.384    225.290  89.406  7.3238  82.834  11.521  6.572792       13.65184 
1 1 1 -8  38  2  o 16.718  7.0383  6.8269     48.620   29.706     53.747   -96.2203   114.066  19.510  7.6981  20.021  9.3748  -0.5104580     12.13043 
1 1 1 -8  38  3  o 51.162  6.7779  334.358    82.070   299.334    96.561   425.491    155.761  47.625  8.6758  55.274  11.961  -7.648842      14.77630 
1 1 1 -8  38  4  o 90.502  6.0848  1028.43    132.843  1086.69    161.699  907.473    232.999  92.384  7.2723  81.026  12.232  11.35861       14.23072 
1 1 1 -8  38  5  o 51.550  4.9664  331.998    61.352   276.293    83.578   397.092    90.347   46.020  7.7610  55.753  6.8208  -9.733082      10.33229 
1 1 1 -8  38  6  o 51.386  5.6905  333.039    69.760   318.751    107.704  343.366    91.562   48.720  9.4518  51.471  7.5563  -2.750816      12.10102 
1 1 1 -8  38  7  o 27.873  8.4065  101.852    61.586   89.188     93.721   111.476    81.703   28.011  10.380  29.431  9.7860  -1.420542      14.26544 
1 1 1 -8  38  8  o 50.044  6.0266  318.118    71.707   400.338    103.552  242.369    99.394   55.383  7.9323  42.067  9.9021  13.31663       12.68757 
1 1 1 -8  38  9  o 16.190  7.1558  -12.4378   55.289   -100.5597  86.962   47.351     71.631   16.486  7.8571  22.831  8.9238  -6.345575      11.88980 
1 1 1 -8  38  10 o 50.537  5.7226  323.845    68.936   416.749    98.633   235.125    96.386   56.676  7.3450  41.322  9.7675  15.35392       12.22097 
1 1 1 -8  38  11 o 53.763  7.7448  379.383    98.116   379.383    98.116   0.0000     0.0000   53.763  7.7448  ?       ?       0.000000       7.744757 
1 1 1 -8  38  12 o 47.083  14.308  344.956    177.914  344.956    177.914  0.0000     0.0000   47.083  14.308  ?       ?       0.000000       14.30801 
1 1 1 -8  38  13 o 53.985  7.1992  381.299    91.951   238.908    182.891  429.468    106.373  39.822  14.542  56.929  7.9149  -17.10727      16.55678 
1 1 1 -8  38  14 o 36.905  9.0539  189.362    80.464   168.448    166.900  195.695    91.843   35.232  13.663  37.126  9.9801  -1.894592      16.91960 
1 1 1 -8  38  15 o 59.569  7.1427  466.158    101.181  395.090    188.151  495.073    120.012  48.957  14.677  60.571  8.3912  -11.61382      16.90673 
1 1 1 -8  38  16 o 20.935  7.7786  48.837     52.704   54.071     87.524   45.860     66.015   24.149  9.7247  21.775  8.5506  2.374584       12.94922 
1 1 1 -8  38  17 o 41.030  6.9448  224.337    66.672   162.391    100.027  273.862    89.437   33.326  10.816  44.448  8.6038  -11.12144      13.82051 
1 1 1 -8  38  18 o 21.183  8.4129  42.029     64.582   118.940    165.335  28.181     70.155   31.553  13.109  20.594  8.5462  10.95860       15.64859 
1 1 1 -8  38  19 o 21.541  8.6342  42.633     68.649   0.0000     0.0000   42.633     68.649   ?       ?       21.541  8.6342  0.000000       8.634240 
1 1 1 -8  38  20 o 26.643  9.3416  95.735     74.646   0.0000     0.0000   95.735     74.646   ?       ?       26.643  9.3416  0.000000       9.341577 
1 1 1 -8  38  21 o 36.988  7.3372  186.543    63.525   135.729    92.124   232.607    87.714   30.627  10.392  40.266  9.1815  -9.639040      13.86716 
1 1 1 -8  38  22 o 36.877  8.3301  190.769    72.777   234.651    95.382   129.624    112.590  39.987  9.8865  30.419  11.356  9.568014       15.05655 
1 1 1 -8  38  23 o 16.722  7.6071  -26.7470   67.633   -129.6431  86.809   132.188    107.888  15.146  7.3727  30.539  11.167  -15.39297      13.38107 
1 1 1 -8  38  24 o 24.641  9.0487  76.549     70.950   111.028    91.558   24.722     112.253  28.437  10.304  23.866  10.381  4.570948       14.62661 
1 1 1 -8  38  25 o 45.465  10.656  312.036    115.507  276.906    124.050  541.057    316.736  41.826  11.742  47.723  18.733  -5.896915      22.10880 
1 1 1 -8  38  26 o 25.555  10.237  74.755     96.431   31.077     103.460  363.853    266.172  23.302  10.051  41.349  16.847  -18.04682      19.61743 
1 1 1 -8  39  1  o 38.278  7.6260  192.311    68.341   229.951    78.405   73.272     139.433  41.797  8.0226  29.928  12.194  11.86893       14.59612 
1 1 1 -8  39  2  o 23.583  7.1844  71.221     44.817   58.258     60.628   86.839     66.545   22.985  8.3761  26.362  8.8330  -3.376619      12.17295 
1 1 1 -8  39  3  o 103.260 4.2890  1314.88    107.461  1273.04    150.794  1358.06    153.179  100.544 6.2115  103.925 6.1013  -3.380539      8.706815 
1 1 1 -8  39  4  o 63.697  5.0895  506.861    78.004   616.828    112.275  404.253    108.453  69.591  6.7333  55.506  8.3081  14.08572       10.69402 
1 1 1 -8  39  5  o 118.008 4.5884  1722.98    131.382  1736.46    182.804  1708.58    188.954  117.204 6.4529  116.046 6.7397  1.157928       9.330770 
1 1 1 -8  39  6  o 89.533  4.7630  996.614    103.100  1151.88    146.945  846.075    144.693  95.375  6.3867  81.068  7.4389  14.30663       9.804382 
1 1 1 -8  39  7  o 30.370  8.3134  123.710    63.050   202.312    92.104   54.394     86.492   38.288  9.8558  24.634  9.7509  13.65423       13.86424 
1 1 1 -8  39  8  o 45.780  6.4578  269.940    69.741   196.976    101.282  335.730    96.173   37.473  10.641  50.354  8.1500  -12.88055      13.40387 
1 1 1 -8  39  9  o 54.806  6.8294  388.269    88.848   356.319    179.311  398.666    102.288  47.986  14.315  55.002  7.8904  -7.016769      16.34593 
1 1 1 -8  39  10 o 21.964  10.221  -80.7233   132.191  -80.7233   132.191  0.0000     0.0000   21.964  10.221  ?       ?       0.000000       10.22075 
1 1 1 -8  39  11 o 38.789  13.854  225.188    164.843  225.188    164.843  0.0000     0.0000   38.789  13.854  ?       ?       0.000000       13.85395 
1 1 1 -8  39  12 o 24.034  8.9296  66.534     69.455   75.092     151.918  64.273     78.095   29.636  12.457  24.415  9.3791  5.221926       15.59328 
1 1 1 -8  39  13 o 107.876 6.5183  1501.85    169.815  1505.19    288.710  1500.08    209.979  101.199 11.991  105.960 8.2318  -4.760696      14.54454 
1 1 1 -8  39  14 o 62.319  5.3209  494.437    79.687   444.834    116.431  538.147    109.297  56.946  8.7026  63.849  7.1793  -6.903374      11.28177 
1 1 1 -8  39  15 o 13.989  6.4873  -37.3479   52.548   -30.1627   85.235   -41.7532   66.739   18.786  8.5435  15.892  7.3490  2.893768       11.26936 
1 1 1 -8  39  16 o 15.780  7.2100  -29.2802   61.603   4.1982     155.816  -35.4825   67.067   26.072  11.733  16.211  7.4497  9.860603       13.89854 
1 1 1 -8  39  17 o 26.256  8.8437  93.990     66.710   54.371     167.771  101.430    72.705   28.517  12.540  27.146  9.2321  1.371019       15.57216 
1 1 1 -8  39  18 o 40.488  9.6644  239.845    93.628   0.0000     0.0000   239.845    93.628   ?       ?       40.488  9.6644  0.000000       9.664428 
1 1 1 -8  39  19 o 46.495  9.2760  310.403    100.980  0.0000     0.0000   310.403    100.980  ?       ?       46.495  9.2760  0.000000       9.275969 
1 1 1 -8  39  20 o 18.522  7.8574  14.765     61.340   0.5930     78.981   36.305     97.373   19.545  8.5993  23.308  9.8943  -3.762606      13.10902 
1 1 1 -8  39  21 o 13.957  6.6321  -63.7469   61.029   -129.6491  76.532   51.348     101.139  13.817  6.7679  24.507  10.223  -10.68986      12.26041 
1 1 1 -8  39  22 o 20.866  8.2975  41.570     62.895   62.253     80.130   8.3785     101.507  23.871  9.4056  22.112  9.7383  1.758343       13.53885 
1 1 1 -8  39  23 f 15.104  7.1493  -64.9763   69.595   -120.7246  92.891   6.3530     105.074  16.059  7.7718  22.256  9.8491  -6.196552      12.54614 
1 1 1 -8  39  24 o 35.288  10.928  193.612    103.179  155.573    109.305  504.700    312.586  31.932  11.294  45.499  18.358  -13.56664      21.55436 
1 1 1 -8  39  25 o 37.431  10.935  221.625    105.542  287.872    113.224  -217.5159  291.512  42.885  10.867  26.800  13.144  16.08537       17.05458 
1 1 1 -8  40  1  o 42.528  6.4443  232.469    64.416   268.852    93.234   199.239    89.102   44.786  8.8933  38.186  9.6209  6.600220       13.10160 
1 1 1 -8  40  2  o 78.866  4.8133  774.117    91.668   786.016    131.244  762.783    128.089  78.409  6.9711  77.272  6.9044  1.137466       9.811555 
1 1 1 -8  40  3  o 57.314  5.4596  413.636    75.007   403.770    111.805  421.711    101.145  55.175  8.6345  56.987  7.4967  -1.812737      11.43483 
1 1 1 -8  40  4  o 88.534  5.8822  988.455    125.644  1168.16    165.438  743.545    193.133  95.399  7.2001  73.180  11.236  22.21864       13.34495 
1 1 1 -8  40  5  o 40.454  6.6718  212.560    63.205   222.290    94.391   204.650    85.101   40.086  9.7891  38.673  9.2024  1.413158       13.43545 
1 1 1 -8  40  6  o 21.200  8.2921  40.549     61.882   -16.5523   93.825   84.513     82.327   20.822  9.2562  26.687  9.7552  -5.865612      13.44774 
1 1 1 -8  40  7  o 33.764  9.7537  158.218    84.390   44.121     152.142  208.923    101.423  28.581  12.256  38.383  10.559  -9.801943      16.17741 
1 1 1 -8  40  8  o 26.267  9.0304  88.095     69.592   111.091    146.332  81.374     79.110   31.531  12.618  26.086  9.5586  5.445686       15.82939 
1 1 1 -8  40  9  o 50.235  13.720  395.545    171.956  395.545    171.956  0.0000     0.0000   50.235  13.720  ?       ?       0.000000       13.72005 
1 1 1 -8  40  10 o 20.806  9.7239  -79.0449   121.726  -79.0449   121.726  0.0000     0.0000   20.806  9.7239  ?       ?       0.000000       9.723902 
1 1 1 -8  40  11 o 12.557  6.0661  -81.2437   56.001   76.035     126.476  -119.5990  62.457   28.051  11.542  12.244  6.0210  15.80704       13.01804 
1 1 1 -8  40  12 o 103.346 4.7646  1341.54    119.476  1439.10    165.130  1234.36    173.080  105.351 6.4915  96.576  7.4435  8.775429       9.876472 
1 1 1 -8  40  13 o 42.299  6.7041  237.444    66.513   295.223    96.694   185.551    91.637   45.807  9.0207  35.560  10.130  10.24713       13.56465 
1 1 1 -8  40  14 o 45.572  6.7182  275.998    72.059   328.073    103.876  227.692    100.046  48.031  9.2486  39.081  10.376  8.950012       13.89992 
1 1 1 -8  40  15 o 19.541  8.2545  19.534     67.239   99.653     143.936  -2.8300    76.047   29.420  12.228  19.044  8.4058  10.37558       14.83812 
1 1 1 -8  40  16 o 29.075  7.9512  118.731    57.709   113.593    85.108   123.103    78.515   28.383  9.9734  29.243  9.5869  -0.8600521     13.83398 
1 1 1 -8  40  17 o 23.730  9.0219  67.594     71.792   0.0000     0.0000   67.594     71.792   ?       ?       23.730  9.0219  0.000000       9.021938 
1 1 1 -8  40  18 f 25.372  9.2074  84.960     73.149   0.0000     0.0000   84.960     73.149   ?       ?       25.372  9.2074  0.000000       9.207403 
1 1 1 -8  40  19 o 23.654  8.6394  70.895     64.553   117.635    83.527   1.5762     101.720  28.679  9.8914  21.692  9.6407  6.986740       13.81242 
1 1 1 -8  40  20 o 26.243  8.8679  95.094     67.077   65.698     87.601   136.759    104.290  24.507  9.7777  30.547  11.008  -6.040020      14.72331 
1 1 1 -8  40  21 o 28.804  8.8401  118.804    67.696   91.598     88.499   157.174    105.100  26.519  10.033  32.162  11.095  -5.643398      14.95853 
1 1 1 -8  40  22 o 26.358  10.290  87.281     95.162   32.612     100.089  601.860    307.073  23.108  9.9257  49.499  18.697  -26.39071      21.16850 
1 1 1 -8  40  23 o 57.022  9.4542  474.733    126.226  476.982    137.804  463.007    314.605  56.069  10.515  42.882  17.971  13.18751       20.82109 
1 1 1 -8  40  24 o 43.748  9.8858  290.954    102.467  281.644    107.973  375.306    325.016  42.398  10.541  38.887  17.260  3.510838       20.22423 
1 1 1 -8  41  1  o 56.940  5.4610  408.976    74.523   508.482    109.640  323.525    101.602  62.633  7.3544  49.073  8.8589  13.55972       11.51382 
1 1 1 -8  41  2  o 30.126  7.8705  121.706    58.164   92.971     88.180   143.837    77.387   27.765  10.104  32.446  9.3307  -4.681730      13.75332 
1 1 1 -8  41  3  o 38.776  6.8310  196.706    61.923   249.536    91.777   152.558    83.897   42.732  9.1287  33.255  9.7595  9.477367       13.36344 
1 1 1 -8  41  4  o 16.273  7.1201  -6.1584    53.490   -241.5434  137.914  35.519     58.032   18.253  8.9701  20.306  8.0032  -2.052498      12.02140 
1 1 1 -8  41  5  o 47.092  7.8746  295.370    86.800   170.941    174.360  336.367    100.083  35.841  13.946  49.933  8.5691  -14.09192      16.36866 
1 1 1 -8  41  6  o 38.952  8.7585  208.774    80.770   308.633    160.460  174.885    93.476   44.488  13.603  35.084  10.303  9.404209       17.06421 
1 1 1 -8  41  7  o 25.288  8.9491  80.153     68.632   157.171    138.729  55.194     78.974   33.759  12.605  23.717  9.3398  10.04198       15.68803 
1 1 1 -8  41  8  f 54.824  14.089  484.085    188.439  484.085    188.439  0.0000     0.0000   54.824  14.089  ?       ?       0.000000       14.08920 
1 1 1 -8  41  9  o 38.891  10.256  220.374    98.163   220.374    98.163   0.0000     0.0000   38.891  10.256  ?       ?       0.000000       10.25567 
1 1 1 -8  41  10 o 54.497  5.6175  381.945    73.217   420.585    103.537  343.295    103.552  55.783  7.8679  49.604  8.9321  6.179810       11.90320 
1 1 1 -8  41  11 o 86.596  4.8927  949.383    102.382  1084.21    141.121  799.561    148.761  91.217  6.4169  76.718  8.1147  14.49964       10.34529 
1 1 1 -8  41  12 o 27.961  8.2650  109.416    59.979   98.646     89.392   118.234    80.891   27.323  10.135  28.892  9.7384  -1.569067      14.05519 
1 1 1 -8  41  13 o 18.199  7.5877  19.266     55.675   39.931     82.067   1.6452     75.780   22.310  9.2495  19.239  8.4450  3.071314       12.52482 
1 1 1 -8  41  14 o 20.869  8.4478  38.992     66.421   -75.0222   154.833  64.706     73.531   22.954  10.803  23.546  9.0861  -0.5920200     14.11636 
1 1 1 -8  41  15 o 36.418  7.4426  183.485    63.545   118.903    88.438   252.413    91.366   28.741  10.160  41.566  9.2924  -12.82485      13.76860 
1 1 1 -8  41  16 o 33.861  10.028  173.384    88.230   0.0000     0.0000   173.384    88.230   ?       ?       33.861  10.028  0.000000       10.02810 
1 1 1 -8  41  17 f 23.054  9.3322  53.318     81.059   0.0000     0.0000   53.318     81.059   ?       ?       23.054  9.3322  0.000000       9.332177 
1 1 1 -8  41  18 o 16.274  7.0904  0.6170     52.542   -84.5028   73.142   91.379     75.527   14.770  7.0841  25.973  9.3665  -11.20280      11.74378 
1 1 1 -8  41  19 o 28.922  8.7169  120.304    66.234   47.706     87.915   215.600    100.725  23.150  9.5835  37.365  10.613  -14.21572      14.29938 
1 1 1 -8  41  20 o 62.731  9.4371  570.345    139.194  570.345    139.194  0.0000     0.0000   62.731  9.4371  ?       ?       0.000000       9.437106 
1 1 1 -8  41  21 o 47.872  9.8122  342.015    110.146  338.464    119.435  362.217    284.871  46.703  10.761  39.940  16.938  6.762962       20.06680 
1 1 1 -8  41  22 o 38.605  11.624  247.420    117.824  247.420    117.824  0.0000     0.0000   38.605  11.624  ?       ?       0.000000       11.62403 
1 1 1 -8  42  1  o 94.186  5.6688  1121.05    128.948  1068.23    241.920  1142.00    152.402  86.477  11.840  94.325  6.7025  -7.847565      13.60581 
1 1 1 -8  42  2  o 21.709  8.5311  43.192     65.760   18.660     138.781  50.295     74.675   26.357  11.502  23.096  9.0864  3.260166       14.65821 
1 1 1 -8  42  3  o 79.799  6.3552  817.282    122.034  809.955    213.855  820.820    148.604  74.305  12.291  78.848  7.8726  -4.543549      14.59629 
1 1 1 -8  42  4  o 62.783  6.9343  514.357    103.872  570.392    196.930  492.759    122.262  60.473  13.734  60.350  8.5919  0.1227913      16.20018 
1 1 1 -8  42  5  f 20.171  8.3851  23.715     67.705   144.947    155.426  -4.6769    75.217   33.236  13.098  19.111  8.4005  14.12519       15.56052 
1 1 1 -8  42  6  o 56.921  7.3438  430.220    99.063   636.531    195.329  358.779    114.942  64.160  12.992  50.305  9.7690  13.85541       16.25541 
1 1 1 -8  42  7  o 71.891  8.0577  697.572    138.138  697.572    138.138  0.0000     0.0000   71.891  8.0577  ?       ?       0.000000       8.057730 
1 1 1 -8  42  8  o 15.280  7.4662  -145.9551  91.484   -145.9551  91.484   0.0000     0.0000   15.280  7.4662  ?       ?       0.000000       7.466189 
1 1 1 -8  42  9  o 35.370  7.3613  171.078    61.122   144.481    90.959   192.974    82.532   31.428  10.320  36.532  9.2897  -5.104527      13.88492 
1 1 1 -8  42  10 o 33.385  7.5605  154.352    59.823   156.452    88.125   152.558    81.470   32.462  10.107  32.233  9.6569  0.2284164      13.97858 
1 1 1 -8  42  11 o 13.049  6.0765  -35.3958   46.850   -51.8636   72.166   -23.3992   61.595   15.983  7.4753  15.998  7.2705  -0.1465702E-01 10.42789 
1 1 1 -8  42  12 o 37.252  7.3614  191.538    64.181   279.955    93.504   112.773    88.253   43.980  9.0636  28.162  10.129  15.81843       13.59173 
1 1 1 -8  42  13 o 19.789  7.8975  37.122     57.165   -33.6812   88.254   88.299     75.033   18.605  8.5482  25.587  9.3191  -6.982033      12.64585 
1 1 1 -8  42  14 o 28.078  8.4512  113.231    62.289   204.423    90.746   31.985     85.655   36.671  9.9467  21.844  9.2768  14.82736       13.60133 
1 1 1 -8  42  15 o 24.591  9.3230  77.020     76.526   0.0000     0.0000   77.020     76.526   ?       ?       24.591  9.3230  0.000000       9.322986 
1 1 1 -8  42  16 o 17.066  7.5861  -7.2608    63.010   0.0000     0.0000   -7.2608    63.010   ?       ?       17.066  7.5861  0.000000       7.586070 
1 1 1 -8  42  17 o 32.453  8.1783  150.727    64.375   137.488    91.594   163.651    90.496   30.257  10.362  32.708  10.251  -2.450859      14.57587 
1 1 1 -8  42  18 o 37.616  7.5668  197.369    66.670   133.480    104.436  241.315    86.615   29.905  10.979  40.646  9.0181  -10.74140      14.20777 
1 1 1 -8  42  19 o 50.641  9.5131  378.862    112.602  372.021    122.416  416.466    287.018  49.120  10.583  41.526  17.264  7.593765       20.24948 
1 1 1 -8  42  20 o 19.482  8.7457  -6.9179    85.953   -6.9179    85.953   0.0000     0.0000   19.482  8.7457  ?       ?       0.000000       8.745711 
1 1 1 -8  42  21 o 19.212  7.8177  33.195     57.224   75.615     83.341   -4.6422    78.710   24.396  9.5987  18.771  8.4016  5.625622       12.75628 
1 1 1 -8  43  1  o 14.940  6.8846  -36.6285   57.824   57.113     132.650  -58.6201   64.249   27.543  11.612  14.822  6.9708  12.72125       13.54388 
1 1 1 -8  43  2  o 23.023  8.7508  58.110     67.530   -19.5094   142.383  80.638     76.707   24.672  11.149  25.644  9.4099  -0.9719677     14.58951 
1 1 1 -8  43  3  o 13.940  6.5391  -49.2077   55.920   -248.4581  130.857  -4.6915    61.852   17.178  8.4971  17.391  7.6317  -0.2126389     11.42119 
1 1 1 -8  43  4  o 26.738  8.2193  97.802     58.495   12.445     95.291   149.416    74.099   22.035  9.5748  32.450  9.0629  -10.41521      13.18375 
1 1 1 -8  43  5  o 24.866  8.4776  81.707     61.309   123.669    103.089  58.743     76.261   29.902  10.918  23.489  9.2002  6.413368       14.27775 
1 1 1 -8  43  6  o 64.606  8.1143  570.592    124.395  570.592    124.395  0.0000     0.0000   64.606  8.1143  ?       ?       0.000000       8.114310 
1 1 1 -8  43  7  o 16.039  7.7814  -128.6362  94.579   -128.6362  94.579   0.0000     0.0000   16.039  7.7814  ?       ?       0.000000       7.781375 
1 1 1 -8  43  8  o 58.130  5.7915  440.019    80.600   415.665    122.465  458.629    107.054  53.301  9.8315  57.803  7.8348  -4.502007      12.57154 
1 1 1 -8  43  9  o 21.214  7.8676  53.865     53.867   -67.6738   79.483   157.107    73.257   16.203  7.6607  32.793  8.9546  -16.58939      11.78436 
1 1 1 -8  43  10 o 35.633  7.7128  178.341    64.751   217.536    92.345   140.433    90.817   37.868  9.9286  30.507  10.318  7.361168       14.31943 
1 1 1 -8  43  11 o 19.252  7.6675  35.287     53.782   0.3592     83.092   60.469     70.554   19.697  8.7356  22.799  8.8716  -3.101992      12.45050 
1 1 1 -8  43  12 o 44.197  6.5656  263.472    68.270   350.020    95.356   172.458    97.786   49.772  8.1802  33.110  10.689  16.66164       13.45972 
1 1 1 -8  43  13 o 50.941  6.7022  350.345    80.830   421.581    114.109  278.602    114.514  53.864  9.0519  41.694  11.116  12.17036       14.33565 
1 1 1 -8  43  14 o 34.510  9.6690  180.999    84.203   533.088    195.053  100.356    93.349   53.507  14.612  26.981  10.280  26.52649       17.86608 
1 1 1 -8  43  15 o 35.850  9.6687  194.848    86.033   0.0000     0.0000   194.848    86.033   ?       ?       35.850  9.6687  0.000000       9.668703 
1 1 1 -8  43  16 o 31.435  8.7539  145.234    69.238   147.133    109.445  143.967    89.403   30.815  11.250  30.689  10.238  0.1257668      15.21146 
1 1 1 -8  43  17 o 24.461  9.8090  70.041     88.645   66.361     95.008   94.781     246.375  24.536  10.039  31.031  14.267  -6.494980      17.44495 
1 1 1 -8  43  18 o 33.532  10.607  179.533    96.663   179.818    104.674  177.880    251.933  33.262  11.077  33.114  14.910  0.1479912      18.57426 
1 1 1 -8  43  19 o 19.264  8.4699  8.3132     76.504   -2.0279    80.067   116.805    259.340  19.025  8.4976  31.042  14.401  -12.01710      16.72144 
1 1 1 -8  44  1  o 49.971  5.9251  323.871    70.442   316.049    104.168  330.462    95.620   47.172  9.4306  49.026  8.3366  -1.854282      12.58710 
1 1 1 -8  44  2  o 15.070  6.7730  -16.6033   51.715   11.823     89.996   -30.6172   63.189   21.408  9.3036  15.928  7.2868  5.480186       11.81758 
1 1 1 -8  44  3  o 24.378  8.2899  78.865     58.623   110.026    94.901   59.637     74.547   28.439  10.462  23.347  9.1096  5.092012       13.87211 
1 1 1 -8  44  4  o 13.296  6.2160  -40.3520   49.801   -29.9803   90.572   -44.8467   59.623   19.183  8.7561  14.609  6.8203  4.573398       11.09889 
1 1 1 -8  44  5  o 46.350  10.857  329.024    119.954  329.024    119.954  0.0000     0.0000   46.350  10.857  ?       ?       0.000000       10.85659 
1 1 1 -8  44  6  o 27.602  10.422  104.185    95.378   104.185    95.378   0.0000     0.0000   27.602  10.422  ?       ?       0.000000       10.42170 
1 1 1 -8  44  7  o 22.916  8.3602  67.215     60.423   165.929    101.871  13.640     75.049   32.581  10.929  19.722  8.5334  12.85858       13.86573 
1 1 1 -8  44  8  o 38.948  7.8636  214.253    71.754   298.271    114.998  160.688    91.822   43.431  10.923  32.200  10.354  11.23064       15.05034 
1 1 1 -8  44  9  f 18.268  7.5331  24.765     54.024   23.080     85.475   25.886     69.714   21.131  9.1249  19.926  8.4104  1.204746       12.40962 
1 1 1 -8  44  10 o 19.086  7.7583  31.764     56.284   63.907     83.602   5.1171     76.119   23.686  9.5162  19.166  8.4371  4.520239       12.71779 
1 1 1 -8  44  11 o 45.878  6.6767  285.910    72.145   348.990    106.060  231.586    98.424   48.454  9.3600  38.381  10.337  10.07269       13.94534 
1 1 1 -8  44  12 o 44.402  6.7913  269.002    70.842   267.583    107.538  270.089    94.161   41.015  10.695  42.443  9.3918  -1.427593      14.23349 
1 1 1 -8  44  13 o 52.583  7.7211  386.551    95.578   581.732    215.001  338.478    106.701  53.889  15.569  47.507  9.5870  6.381863       18.28368 
1 1 1 -8  44  14 o 53.925  8.7335  420.249    110.366  0.0000     0.0000   420.249    110.366  ?       ?       53.925  8.7335  0.000000       8.733532 
1 1 1 -8  44  15 o 30.738  10.548  147.980    94.926   155.939    100.875  86.411     280.573  31.329  10.866  31.203  14.640  0.1256084      18.23232 
1 1 1 -8  44  16 o 17.817  8.2839  -42.0319   86.537   -46.6989   92.421   -8.8407    246.470  18.230  8.5040  28.039  13.325  -9.809683      15.80713 
1 1 1 -8  44  17 o 25.862  9.6982  95.302     82.299   55.722     86.476   475.560    268.039  23.013  9.5140  42.343  17.030  -19.33026      19.50712 
1 1 1 -8  44  18 o 18.641  7.6823  29.453     56.143   17.790     81.712   39.883     77.271   20.117  8.8013  21.172  8.8912  -1.055277      12.51062 
1 1 1 -8  45  1  o 36.600  7.6039  185.350    65.321   248.179    102.005  141.675    85.047   40.564  10.334  31.004  9.9640  9.560474       14.35555 
1 1 1 -8  45  2  o 20.343  7.8474  44.414     54.836   30.712     92.275   51.896     68.182   22.427  9.5790  22.067  8.6820  0.3604927      12.92807 
1 1 1 -8  45  3  o 17.086  7.2654  11.286     52.661   60.609     91.839   -12.8750   64.277   24.214  9.8842  16.909  7.5786  7.305420       12.45521 
1 1 1 -8  45  4  o 51.843  9.8921  401.015    119.894  401.015    119.894  0.0000     0.0000   51.843  9.8921  ?       ?       0.000000       9.892072 
1 1 1 -8  45  5  o 39.150  11.161  247.710    111.182  247.710    111.182  0.0000     0.0000   39.150  11.161  ?       ?       0.000000       11.16060 
1 1 1 -8  45  6  o 26.083  8.6013  97.655     63.167   101.721    106.394  95.442     78.499   27.291  10.811  26.058  9.5256  1.232998       14.40885 
1 1 1 -8  45  7  o 24.217  8.6016  80.809     63.461   43.302     104.775  102.541    79.755   23.548  10.136  26.648  9.6227  -3.099415      13.97621 
1 1 1 -8  45  8  o 29.206  8.4628  125.772    63.443   260.528    102.044  40.862     81.002   40.635  10.328  21.763  9.1194  18.87166       13.77774 
1 1 1 -8  45  9  o 46.548  6.7110  295.865    73.608   398.941    107.579  205.132    100.932  52.230  8.8017  35.491  10.775  16.73868       13.91289 
1 1 1 -8  45  10 o 33.528  7.9991  162.872    64.166   138.252    95.573   183.076    86.580   29.719  10.556  34.210  9.8785  -4.491512      14.45721 
1 1 1 -8  45  11 o 30.792  8.0489  138.003    60.809   152.085    92.280   127.195    80.844   31.003  10.402  28.888  9.7356  2.115116       14.24693 
1 1 1 -8  45  12 o 39.001  10.553  243.336    102.289  0.0000     0.0000   243.336    102.289  ?       ?       39.001  10.553  0.000000       10.55282 
1 1 1 -8  45  13 o 48.861  19.181  725.715    332.111  0.0000     0.0000   725.715    332.111  ?       ?       48.861  19.181  0.000000       19.18144 
1 1 1 -8  45  14 o 27.564  10.509  112.592    97.577   112.592    97.577   0.0000     0.0000   27.564  10.509  ?       ?       0.000000       10.50888 
1 1 1 -8  45  15 o 21.892  9.4367  34.585     91.084   80.844     96.463   -345.8551  276.636  25.101  10.174  23.439  11.717  1.661831       15.51705 
1 1 1 -8  45  16 o 27.793  8.3085  115.623    60.355   103.771    92.503   124.409    79.644   26.439  10.194  28.201  9.6623  -1.762096      14.04563 
1 1 1 -8  46  1  o 48.075  6.2808  308.518    71.514   288.052    111.069  323.012    93.467   42.869  10.709  47.606  8.3984  -4.736984      13.60940 
1 1 1 -8  46  2  o 44.627  6.4255  268.270    67.573   210.066    108.202  305.482    86.518   35.878  11.204  46.521  7.9503  -10.64292      13.73784 
1 1 1 -8  46  3  o 55.764  9.0618  456.080    118.402  456.080    118.402  0.0000     0.0000   55.764  9.0618  ?       ?       0.000000       9.061794 
1 1 1 -8  46  4  o 32.869  11.267  178.884    108.287  178.884    108.287  0.0000     0.0000   32.869  11.267  ?       ?       0.000000       11.26654 
1 1 1 -8  46  5  o 21.651  8.1825  58.441     58.830   -18.1164   103.595  94.881     71.472   20.356  9.3192  25.666  9.1271  -5.310118      13.04419 
1 1 1 -8  46  6  o 19.069  7.9840  26.737     62.010   -14.0056   103.610  49.475     77.403   20.490  9.3576  22.004  9.0386  -1.513901      13.01003 
1 1 1 -8  46  7  f 18.469  7.7261  24.274     57.995   56.236     99.028   7.5903     71.549   23.713  10.017  18.673  8.2009  5.040417       12.94613 
1 1 1 -8  46  8  f 15.653  6.9912  -8.0192    54.192   -8.2626    88.452   -7.8730    68.568   19.424  8.7817  17.431  7.8191  1.992750       11.75826 
1 1 1 -8  46  9  o 72.176  5.2989  680.856    92.151   718.212    127.913  640.549    132.870  71.712  7.4604  66.562  8.4149  5.150238       11.24586 
1 1 1 -8  46  10 o 41.763  11.055  287.817    113.778  259.882    122.764  457.952    302.966  38.596  11.914  40.128  17.254  -1.532497      20.96762 
1 1 1 -8  46  11 o 37.121  16.870  379.775    331.621  0.0000     0.0000   379.775    331.621  ?       ?       37.121  16.870  0.000000       16.87037 
1 1 1 -8  46  12 o 31.994  14.900  167.617    281.787  0.0000     0.0000   167.617    281.787  ?       ?       31.994  14.900  0.000000       14.89970 
1 1 1 -8  46  13 o 22.181  9.3054  47.863     84.501   6.7253     88.430   480.167    286.663  20.059  8.9469  40.484  17.069  -20.42514      19.27209 
1 1 1 -8  46  14 o 21.005  7.9644  56.025     55.853   -4.2875    87.934   96.815     72.314   19.348  8.7507  25.489  9.1683  -6.141186      12.67408 
1 1 1 -8  46  15 o 25.402  8.3617  97.178     59.706   232.686    92.109   -1.0183    78.409   37.715  9.9291  18.522  8.3306  19.19332       12.96090 
1 1 1 -8  47  1  o 31.248  8.2026  143.628    62.982   143.033    99.787   144.023    81.199   29.948  10.770  30.416  9.7319  -0.4678078     14.51569 
1 1 1 -8  47  2  o 17.909  8.2726  -31.6362   84.217   -31.6362   84.217   0.0000     0.0000   17.909  8.2726  ?       ?       0.000000       8.272571 
1 1 1 -8  47  3  o 19.699  8.9350  -8.6683    92.443   -8.6683    92.443   0.0000     0.0000   19.699  8.9350  ?       ?       0.000000       8.934974 
1 1 1 -8  47  4  o 47.885  7.0111  319.118    79.048   271.350    117.033  359.194    107.196  39.667  11.494  48.461  9.4558  -8.794502      14.88379 
1 1 1 -8  47  5  f 41.634  8.0341  252.052    78.222   319.962    117.673  198.285    104.705  43.793  11.069  34.127  11.065  9.665813       15.65096 
1 1 1 -8  47  6  o 34.350  8.3347  175.663    68.760   93.363     106.951  233.649    89.772   26.129  10.666  38.613  9.6176  -12.48442      14.36203 
1 1 1 -8  47  7  o 45.643  7.1918  292.397    77.012   450.289    119.439  180.046    100.753  54.435  9.3816  32.731  10.866  21.70355       14.35590 
1 1 1 -8  47  8  o 39.031  11.333  260.638    113.664  247.845    121.613  349.001    319.629  37.326  11.906  35.891  16.408  1.435299       20.27305 
1 1 1 -8  47  9  o 26.343  10.400  99.655     98.153   119.130    104.357  -49.6695   288.970  27.830  10.801  27.668  13.464  0.1627483      17.26086 
1 1 1 -8  47  10 o 31.248  14.792  150.179    298.105  0.0000     0.0000   150.179    298.105  ?       ?       31.248  14.792  0.000000       14.79227 
1 1 1 -8  47  11 o 31.323  14.983  163.390    322.357  0.0000     0.0000   163.390    322.357  ?       ?       31.323  14.983  0.000000       14.98320 
1 1 1 -8  47  12 o 16.216  7.0441  7.1348     51.546   6.2057     82.590   7.7276     65.971   19.334  8.6333  17.868  7.8604  1.465506       11.67560 
1 1 1 -8  47  13 o 18.081  7.3931  30.667     51.486   -4.5958    77.685   58.289     68.755   18.198  8.2285  21.662  8.6557  -3.463427      11.94279 
1 1 1 -8  48  1  o 21.960  9.3830  41.804     88.596   41.804     88.596   0.0000     0.0000   21.960  9.3830  ?       ?       0.000000       9.383012 
1 1 1 -8  48  2  o 36.188  10.802  222.241    102.080  222.241    102.080  0.0000     0.0000   36.188  10.802  ?       ?       0.000000       10.80236 
1 1 1 -8  48  3  o 58.387  6.2657  463.929    87.380   542.990    126.804  392.442    120.578  60.039  8.9801  49.265  10.413  10.77459       13.75042 
1 1 1 -8  48  4  o 20.075  8.3148  37.764     66.227   112.215    104.710  -11.8758   85.501   27.090  10.727  18.758  8.5409  8.331369       13.71191 
1 1 1 -8  48  5  o 29.560  11.724  148.178    125.265  125.494    140.075  238.757    279.902  28.377  11.947  32.771  15.118  -4.394049      19.26841 
1 1 1 -8  48  6  o 46.396  12.276  386.824    140.335  365.442    158.118  466.166    304.585  42.785  13.569  38.599  16.937  4.185940       21.70212 
1 1 1 -8  48  7  o 24.680  10.774  60.980     121.875  198.799    132.814  -673.7379  306.655  32.715  12.310  ?       ?       0.000000       12.30999 
1 1 1 -8  48  8  o 55.139  9.5042  470.230    122.566  437.695    132.515  662.809    322.399  51.297  10.978  43.533  18.214  7.763687       21.26665 
1 1 1 -8  48  9  o 17.594  7.8647  -1.3393    68.729   0.0000     0.0000   -1.3393    68.729   ?       ?       17.594  7.8647  0.000000       7.864662 
1 1 1 -8  48  10 o 14.827  6.7967  -20.6415   55.353   0.0000     0.0000   -20.6415   55.353   ?       ?       14.827  6.7967  0.000000       6.796653 
1 1 1 -8  48  11 o 13.872  6.4192  -25.8065   51.039   -46.3293   83.114   -13.3821   64.669   16.759  7.8959  16.314  7.4280  0.4448528      10.84067 
1 1 1 -8  49  1  o 22.529  9.7114  47.408     96.472   47.408     96.472   0.0000     0.0000   22.529  9.7114  ?       ?       0.000000       9.711397 
1 1 1 -8  49  2  o 31.745  11.647  183.668    117.507  172.924    131.358  226.702    262.901  30.680  12.057  31.880  14.687  -1.200111      19.00233 
1 1 1 -8  49  3  o 27.452  11.436  117.315    126.326  73.654     139.231  320.642    300.457  25.638  11.342  33.911  15.650  -8.272970      19.32819 
1 1 1 -8  49  4  o 24.276  10.693  56.461     122.443  122.335    135.963  -226.2359  281.658  27.880  11.755  24.301  12.096  3.578432       16.86690 
1 1 1 -8  49  5  o 61.292  10.687  616.482    153.157  542.490    173.598  876.346    325.331  52.940  13.479  50.411  19.196  2.528442       23.45562 
1 1 1 -8  49  6  o 37.296  11.104  245.124    107.962  256.620    115.743  168.150    299.492  37.590  11.563  30.466  14.537  7.123953       18.57467 
1 1 1 -8  49  7  o 58.944  6.3516  478.967    89.407   589.688    124.492  361.028    128.486  62.856  8.3707  44.804  11.694  18.05223       14.38126 
1 1 1 -8  49  8  o 12.323  6.0915  -122.3635  66.878   0.0000     0.0000   -122.3635  66.878   ?       ?       12.323  6.0915  0.000000       6.091482 
1 1 1 -8  49  9  o 34.788  10.748  217.789    99.883   0.0000     0.0000   217.789    99.883   ?       ?       34.788  10.748  0.000000       10.74806 
1 1 1 -8  50  1  f 16.716  8.0788  -96.6002   99.552   -34.3832   111.124  -349.5232  224.051  19.693  9.2313  20.324  10.213  -0.6309891     13.76639 
1 1 1 -8  50  2  o 19.732  9.2740  -38.1576   113.402  -109.8696  124.571  308.816    274.012  18.456  8.9486  33.336  15.222  -14.88053      17.65721 
1 1 1 -8  50  3  o 37.987  12.737  291.174    138.360  213.519    153.210  634.510    322.152  32.140  12.893  40.578  17.618  -8.437878      21.83218 
1 1 1 -8  50  4  o 48.719  7.1775  340.143    82.305   405.983    121.177  283.758    112.140  49.315  10.452  39.890  11.152  9.424908       15.28407 
1 1 1 -8  50  5  o 28.913  9.2691  136.502    73.633   154.799    107.113  120.108    101.388  29.304  11.049  26.877  10.583  2.427141       15.29986 
1 1 1 -8  50  6  o 16.818  7.5004  1.6250     62.129   -13.5178   94.854   13.003     82.220   19.013  8.7813  19.288  8.6133  -0.2748489     12.30044 
1 1 1 -8  50  7  o 23.659  9.7428  81.012     90.213   0.0000     0.0000   81.012     90.213   ?       ?       23.659  9.7428  0.000000       9.742836 
1 1 1 -8  50  8  o 18.861  8.5745  5.0414     85.749   0.0000     0.0000   5.0414     85.749   ?       ?       18.861  8.5745  0.000000       8.574520 
1 1 1 -8  51  1  o 22.193  8.3164  69.891     60.498   -34.7962   98.589   133.118    76.619   18.522  8.6865  28.356  9.4781  -9.833637      12.85656 
1 1 1 -8  51  2  o 34.178  9.1362  189.760    77.224   133.997    114.664  236.048    104.468  27.560  11.119  35.961  10.972  -8.400810      15.62119 
1 1 1 -8  51  3  o 33.523  8.9796  182.295    74.507   183.188    114.124  181.631    98.362   30.732  11.441  31.449  10.738  -0.7165623     15.69070 
1 1 1 -8  51  4  o 29.975  9.0580  148.984    71.452   193.473    105.369  111.111    97.219   31.745  11.100  25.734  10.289  6.011209       15.13560 
1 1 1 -8  51  5  o 24.439  9.6761  96.733     85.186   198.099    171.889  63.731     98.077   29.221  12.775  22.575  9.7615  6.645420       16.07763 
1 1 1 -8  51  6  o 18.798  8.5380  8.8134     84.772   0.0000     0.0000   8.8134     84.772   ?       ?       18.798  8.5380  0.000000       8.538042 
1 1 1 -8  52  1  o 19.059  7.8682  39.426     59.025   -12.3178   102.544  65.064     72.181   19.329  8.9969  21.790  8.8113  -2.461304      12.59301 
1 1 1 -8  52  2  f 16.308  7.1484  10.183     54.132   -137.7112  100.763  70.183     64.180   15.322  7.5561  21.872  8.4750  -6.549963      11.35431 
1 1 1 -8  52  3  o 24.276  9.5696  98.761     82.985   66.593     166.995  109.309    95.629   24.126  11.312  25.008  10.132  -0.8824043     15.18583 
1 1 1 -8  53  1  o 15.565  7.1939  -15.4255   63.823   -55.7442   185.300  -9.9986    67.983   21.323  10.462  16.253  7.4806  5.070374       12.86135 
1 1 1 -7  -59 27 o 23.652  8.8291  111.706    68.058   -46.8837   100.633  245.383    92.391   16.343  7.9515  33.237  10.348  -16.89358      13.05054 
1 1 1 -7  -59 28 o 16.762  7.5314  21.226     63.896   112.623    95.251   -53.5514   86.157   22.714  9.7177  15.250  7.4051  7.464389       12.21756 
1 1 1 -7  -59 29 o 20.963  8.5818  79.560     69.480   -82.3722   98.967   236.940    97.566   15.405  7.5760  31.804  10.695  -16.39845      13.10667 
1 1 1 -7  -59 30 o 17.075  7.6087  25.531     63.790   -10.8688   88.538   64.821     91.986   16.876  8.0101  20.245  9.0707  -3.368942      12.10118 
1 1 1 -7  -59 31 o 22.053  8.5309  90.643     64.943   82.196     98.300   97.186     86.511   21.209  9.4485  22.093  9.3494  -0.8835850     13.29237 
1 1 1 -7  -59 32 o 12.833  6.1668  -44.1922   56.012   -61.9504   92.218   -33.8112   70.508   15.529  7.5678  14.734  7.0366  0.7952871      10.33368 
1 1 1 -7  -59 33 o 24.983  8.8250  121.694    66.713   51.051     106.449  167.387    85.612   19.999  9.2598  27.487  9.9630  -7.488604      13.60167 
1 1 1 -7  -59 34 o 13.916  6.5750  -25.5531   58.381   -33.7308   91.801   -19.9999   75.649   16.348  7.8655  15.705  7.4396  0.6428375      10.82653 
1 1 1 -7  -59 35 o 18.160  8.6185  4.2620     102.463  4.2620     102.463  0.0000     0.0000   18.160  8.6185  ?       ?       0.000000       8.618487 
1 1 1 -7  -59 36 o 18.459  8.7558  9.9302     105.482  9.9302     105.482  0.0000     0.0000   18.459  8.7558  ?       ?       0.000000       8.755814 
1 1 1 -7  -59 37 o 23.003  9.9705  118.050    102.823  201.544    117.314  -158.6849  213.577  27.045  11.121  18.847  9.5287  8.198168       14.64452 
1 1 1 -7  -59 38 o 22.197  9.8374  104.137    105.193  54.761     120.415  263.236    216.151  20.304  9.5470  24.932  12.013  -4.627998      15.34470 
1 1 1 -7  -59 39 o 23.292  10.068  126.542    104.258  162.874    121.204  23.181     204.437  24.576  10.737  20.763  10.330  3.813385       14.89894 
1 1 1 -7  -58 21 o 20.015  8.9903  56.984     90.971   177.867    224.652  33.273     99.494   23.679  11.598  19.213  8.9157  4.466280       14.62864 
1 1 1 -7  -58 22 o 16.020  7.6718  -34.0912   85.056   39.833     256.746  -43.2045   90.146   22.045  11.058  16.084  7.7520  5.960487       13.50457 
1 1 1 -7  -58 23 f 15.103  7.2573  -45.0459   77.562   63.277     235.342  -58.2456   82.152   22.373  11.123  15.054  7.2913  7.318727       13.29980 
1 1 1 -7  -58 24 o 19.353  8.8314  36.111     92.069   76.834     260.994  30.323     98.394   22.841  11.412  19.347  8.9385  3.494013       14.49582 
1 1 1 -7  -58 25 o 20.022  9.0331  48.172     93.026   93.152     241.530  40.337     100.802  23.116  11.453  19.924  9.1476  3.191574       14.65810 
1 1 1 -7  -58 26 o 22.815  9.8652  98.892     100.175  65.811     227.219  106.873    111.607  22.757  11.246  23.186  10.211  -0.4281845     15.18993 
1 1 1 -7  -58 27 o 20.259  9.0561  51.914     91.132   33.861     233.789  55.149     98.960   22.448  11.148  20.642  9.3146  1.806236       14.52711 
1 1 1 -7  -58 28 o 21.703  9.5843  75.891     98.987   49.939     219.238  82.537     110.939  22.615  11.152  22.172  9.9457  0.4433537      14.94233 
1 1 1 -7  -58 29 o 15.731  7.5260  -41.6675   81.411   -21.9194   192.360  -45.9766   89.855   21.090  10.408  16.251  7.8097  4.838959       13.01215 
1 1 1 -7  -58 30 o 12.505  6.1961  -113.3949  70.708   -18.9477   184.413  -129.6732  76.560   21.000  10.330  12.727  6.3299  8.273749       12.11540 
1 1 1 -7  -58 31 o 21.318  9.2929  69.771     90.358   241.072    232.467  39.284     98.070   26.175  12.574  20.019  9.1274  6.156580       15.53778 
1 1 1 -7  -58 32 o 28.829  10.024  169.669    85.869   625.723    241.683  103.781    91.863   36.413  15.526  23.398  9.7502  13.01487       18.33372 
1 1 1 -7  -58 33 o 19.581  8.2182  52.692     65.955   40.826     93.541   64.424     93.009   19.937  9.0207  21.103  9.3063  -1.165321      12.96072 
1 1 1 -7  -58 34 o 22.529  9.9793  87.965     108.118  87.965     108.118  0.0000     0.0000   22.529  9.9793  ?       ?       0.000000       9.979316 
1 1 1 -7  -58 35 o 14.389  7.0742  -100.2826  86.098   -69.8866   96.261   -221.8507  192.510  16.047  7.8002  18.381  9.2656  -2.334837      12.11174 
1 1 1 -7  -58 36 o 20.296  8.5551  60.181     71.975   41.000     101.467  79.607     102.112  20.212  9.2421  22.027  9.7306  -1.815022      13.42018 
1 1 1 -7  -58 37 o 28.254  9.0695  148.418    70.479   112.834    109.319  173.729    92.198   23.723  10.282  28.540  10.340  -4.817186      14.58186 
1 1 1 -7  -58 38 o 18.767  8.0222  42.875     64.815   71.071     100.367  22.705     84.889   21.512  9.5678  18.624  8.4916  2.888134       12.79259 
1 1 1 -7  -58 39 o 17.425  7.7219  23.145     64.808   126.783    102.198  -46.5618   83.815   24.513  10.255  15.734  7.5561  8.779485       12.73845 
1 1 1 -7  -58 40 o 23.877  10.405  120.094    113.191  120.726    132.963  118.430    215.728  23.742  10.747  23.633  11.530  0.1090126      15.76203 
1 1 1 -7  -58 41 o 21.323  9.5764  69.757     103.179  119.354    118.303  -87.8724   210.906  23.695  10.470  20.324  10.170  3.370947       14.59602 
1 1 1 -7  -58 42 o 26.268  10.763  164.654    109.404  140.308    128.829  227.624    207.187  24.373  10.840  25.646  12.196  -1.272854      16.31714 
1 1 1 -7  -58 43 o 23.453  11.495  133.619    221.852  0.0000     0.0000   133.619    221.852  ?       ?       23.453  11.495  0.000000       11.49527 
1 1 1 -7  -58 44 o 20.485  10.238  -46.7077   210.685  0.0000     0.0000   -46.7077   210.685  ?       ?       20.485  10.238  0.000000       10.23771 
1 1 1 -7  -57 17 o 19.483  8.1813  54.559     65.421   85.343     102.762  33.580     84.833   21.987  9.7346  18.968  8.5856  3.018650       12.97985 
1 1 1 -7  -57 18 o 19.136  7.8812  51.467     59.042   126.744    85.755   -16.3765   81.411   24.997  9.7657  16.636  7.8308  8.361271       12.51763 
1 1 1 -7  -57 19 o 23.301  8.6215  96.173     64.612   82.826     96.816   106.891    86.759   22.127  9.6330  23.651  9.6253  -1.524431      13.61769 
1 1 1 -7  -57 20 o 16.354  7.3525  8.7407     61.001   142.035    90.569   -101.9369  82.528   26.272  10.099  14.054  6.9128  12.21846       12.23799 
1 1 1 -7  -57 21 o 23.791  8.7451  99.864     66.292   23.068     97.942   164.794    90.057   19.491  8.9740  28.302  10.225  -8.811029      13.60419 
1 1 1 -7  -57 22 o 27.776  8.9624  139.216    68.755   182.137    101.895  103.338    93.160   28.915  10.801  23.674  9.8381  5.240599       14.61022 
1 1 1 -7  -57 23 o 19.948  8.6479  47.940     77.378   -164.0620  240.155  72.498     81.737   20.847  10.488  21.659  9.1225  -0.8119507     13.90032 
1 1 1 -7  -57 24 o 26.640  8.9597  127.154    68.471   174.533    101.257  87.237     92.942   28.577  10.749  22.799  9.6718  5.778175       14.45999 
1 1 1 -7  -57 25 o 16.403  7.4314  2.6375     63.725   -56.2912   91.009   59.321     89.258   16.289  7.8355  21.135  9.2240  -4.846594      12.10271 
1 1 1 -7  -57 26 o 29.140  9.0159  151.059    70.254   81.098     97.443   226.792    101.383  22.585  9.7478  33.011  10.897  -10.42590      14.62103 
1 1 1 -7  -57 27 o 30.722  9.0669  167.176    72.233   139.090    103.534  193.811    100.826  26.129  10.557  30.325  10.834  -4.196348      15.12763 
1 1 1 -7  -57 28 f 28.601  9.1549  146.928    71.850   164.945    95.378   123.289    109.254  28.432  10.484  25.078  10.554  3.353827       14.87597 
1 1 1 -7  -57 29 o 22.536  9.3619  81.943     84.316   -152.6294  209.412  127.328    92.112   20.392  10.194  25.698  10.098  -5.306000      14.34812 
1 1 1 -7  -57 30 o 13.867  6.6692  -58.0322   65.863   -296.6596  210.872  -32.2368   69.331   18.775  9.4905  15.281  7.2033  3.494251       11.91457 
1 1 1 -7  -57 31 o 14.709  6.9780  -40.1759   67.036   -346.6661  211.474  -5.9374    70.681   18.306  9.2788  16.636  7.6460  1.670586       12.02316 
1 1 1 -7  -57 32 o 27.656  13.114  244.693    236.237  244.693    236.237  0.0000     0.0000   27.656  13.114  ?       ?       0.000000       13.11399 
1 1 1 -7  -57 33 o 30.133  13.980  356.549    244.443  356.549    244.443  0.0000     0.0000   30.133  13.980  ?       ?       0.000000       13.98024 
1 1 1 -7  -57 34 o 26.424  12.509  179.340    213.144  179.340    213.144  0.0000     0.0000   26.424  12.509  ?       ?       0.000000       12.50854 
1 1 1 -7  -57 35 f 17.549  8.2196  -16.5102   87.793   -68.3190   159.806  5.8854     105.068  20.028  9.8034  19.503  9.0876  0.5250053      13.36759 
1 1 1 -7  -57 36 o 18.495  8.2139  24.153     73.710   220.624    162.650  -26.6247   82.688   28.610  12.470  16.743  7.8845  11.86694       14.75331 
1 1 1 -7  -57 37 o 42.551  7.9206  286.651    78.767   237.972    116.204  328.027    107.135  32.476  11.628  41.528  10.597  -9.052265      15.73280 
1 1 1 -7  -57 38 o 27.572  9.0438  135.385    69.867   160.529    107.308  116.884    92.051   27.499  10.869  24.948  9.9988  2.551466       14.76841 
1 1 1 -7  -57 39 o 18.744  7.9182  39.585     61.873   94.359     93.059   -3.8138    82.834   23.398  9.7872  17.683  8.1808  5.714649       12.75593 
1 1 1 -7  -57 40 o 25.518  8.6973  113.191    64.527   48.736     98.994   160.809    85.088   20.968  9.4010  28.785  9.9802  -7.817101      13.71070 
1 1 1 -7  -57 41 o 18.172  7.4786  39.399     53.115   23.513     95.856   46.438     63.807   19.633  8.9795  19.318  8.0943  0.3150654      12.08917 
1 1 1 -7  -57 42 o 25.438  12.117  153.172    206.249  0.0000     0.0000   153.172    206.249  ?       ?       25.438  12.117  0.000000       12.11730 
1 1 1 -7  -57 43 o 28.672  13.426  314.765    233.944  0.0000     0.0000   314.765    233.944  ?       ?       28.672  13.426  0.000000       13.42580 
1 1 1 -7  -57 44 o 15.614  7.6331  -89.7949   95.961   -91.3012   111.413  -85.4660   188.872  16.707  8.1797  20.360  10.095  -3.652313      12.99308 
1 1 1 -7  -57 45 o 22.595  9.9802  86.018     107.386  62.826     122.646  162.211    222.298  21.848  10.053  25.056  12.100  -3.208618      15.73101 
1 1 1 -7  -57 46 o 19.919  9.1735  32.217     102.439  14.538     118.098  85.938     205.869  19.882  9.3810  23.335  11.358  -3.452953      14.73105 
1 1 1 -7  -57 47 o 26.016  10.713  155.195    109.076  109.573    127.632  278.778    210.062  23.390  10.564  27.301  12.764  -3.911524      16.56884 
1 1 1 -7  -56 14 o 20.762  8.3135  67.377     63.573   140.306    96.905   12.276     84.232   25.860  10.294  18.219  8.3638  7.641064       13.26377 
1 1 1 -7  -56 15 o 25.920  8.7599  119.548    65.453   92.695     100.113  139.596    86.501   23.021  9.9084  26.519  9.9431  -3.498041      14.03713 
1 1 1 -7  -56 16 o 12.363  5.9175  -45.9073   50.447   59.631     69.540   -163.1468  73.293   20.506  8.5089  11.750  5.8959  8.756051       10.35194 
1 1 1 -7  -56 17 o 22.589  8.3074  83.532     59.832   84.605     84.078   82.432     85.164   22.682  9.3795  22.547  9.3911  0.1355839      13.27289 
1 1 1 -7  -56 18 o 24.667  8.4594  102.726    61.051   60.668     85.918   145.620    86.767   21.270  9.1667  27.475  10.019  -6.205503      13.57984 
1 1 1 -7  -56 19 o 17.708  7.4362  31.822     54.053   59.267     72.813   -1.8702    80.676   20.807  8.6764  17.709  8.1503  3.097664       11.90411 
1 1 1 -7  -56 20 o 16.658  7.2460  17.256     54.693   8.6103     72.671   28.550     83.061   17.653  7.9724  19.429  8.6682  -1.775904      11.77702 
1 1 1 -7  -56 21 o 19.199  7.9496  44.318     60.509   8.6600     86.711   78.164     84.479   18.698  8.5475  22.529  9.3660  -3.831123      12.67996 
1 1 1 -7  -56 22 o 31.197  8.9045  166.370    70.729   153.372    104.073  177.527    96.418   27.587  10.764  29.882  10.604  -2.294741      15.10937 
1 1 1 -7  -56 23 o 21.594  8.4067  70.398     63.378   142.014    94.082   10.899     85.754   27.177  10.329  18.792  8.5552  8.385809       13.41199 
1 1 1 -7  -56 24 o 20.388  8.5153  52.795     70.293   94.821     93.300   -2.3777    106.900  23.839  9.8710  19.550  9.1286  4.289392       13.44500 
1 1 1 -7  -56 25 o 18.149  7.8438  27.120     63.265   165.978    92.338   -95.7360   86.854   29.288  10.379  14.963  7.3034  14.32478       12.69068 
1 1 1 -7  -56 26 o 16.822  7.5166  7.3781     62.711   33.031     91.855   -15.0169   85.825   20.273  9.0750  17.668  8.2263  2.605251       12.24859 
1 1 1 -7  -56 27 o 24.193  8.7471  97.188     65.930   78.737     97.498   112.734    89.494   22.956  9.8267  25.145  9.9297  -2.188925      13.97005 
1 1 1 -7  -56 28 o 28.932  8.6987  141.098    66.018   63.242     94.488   215.357    92.279   22.002  9.5473  33.872  10.307  -11.87064      14.04930 
1 1 1 -7  -56 29 o 51.375  6.4580  380.372    78.724   436.966    121.103  338.955    103.600  49.336  10.442  43.931  9.9500  5.405273       14.42352 
1 1 1 -7  -56 30 o 21.823  8.3216  72.573     61.193   102.169    97.051   53.042     78.841   24.402  10.083  20.820  8.8725  3.581659       13.43070 
1 1 1 -7  -56 31 o 29.688  10.997  180.106    105.178  180.106    105.178  0.0000     0.0000   29.688  10.997  ?       ?       0.000000       10.99688 
1 1 1 -7  -56 32 o 22.814  9.7817  75.893     96.892   75.893     96.892   0.0000     0.0000   22.814  9.7817  ?       ?       0.000000       9.781652 
1 1 1 -7  -56 33 o 24.927  9.2194  106.343    73.870   45.947     103.847  168.208    105.102  21.488  9.6319  28.823  10.926  -7.334229      14.56553 
1 1 1 -7  -56 34 o 40.353  10.227  293.935    100.265  418.551    199.607  251.880    115.956  36.329  14.666  34.462  11.659  1.867294       18.73590 
1 1 1 -7  -56 35 o 18.846  8.4345  18.966     79.307   205.577    159.369  -42.4565   91.432   28.974  12.486  17.098  8.1225  11.87637       14.89548 
1 1 1 -7  -56 36 o 29.943  10.376  171.725    91.961   406.548    186.702  96.505     105.668  37.031  14.425  24.167  10.284  12.86406       17.71619 
1 1 1 -7  -56 37 o 24.499  9.6622  102.682    84.636   73.160     165.769  113.091    98.432   24.185  11.317  25.165  10.248  -0.9797707     15.26776 
1 1 1 -7  -56 38 o 22.206  9.4302  68.927     88.505   184.759    172.942  27.827     103.017  27.868  12.465  20.649  9.3914  7.218937       15.60688 
1 1 1 -7  -56 39 o 21.229  8.4944  64.452     66.317   -77.4524   156.693  95.416     73.195   20.122  9.8191  23.974  9.1109  -3.851170      13.39489 
1 1 1 -7  -56 40 o 12.964  6.0843  -30.8480   48.523   109.568    87.880   -92.4315   58.199   24.983  9.8480  11.824  5.8139  13.15894       11.43610 
1 1 1 -7  -56 41 o 16.709  7.5653  0.0229     65.918   0.0000     0.0000   0.0229     65.918   ?       ?       16.709  7.5653  0.000000       7.565263 
1 1 1 -7  -56 42 o 23.760  9.2663  93.786     77.103   0.0000     0.0000   93.786     77.103   ?       ?       23.760  9.2663  0.000000       9.266281 
1 1 1 -7  -56 43 o 14.173  6.5431  -18.4276   52.579   49.915     93.506   -50.0291   63.584   21.195  9.3398  14.024  6.6934  7.170959       11.49058 
1 1 1 -7  -56 44 o 16.580  7.2147  16.187     54.261   14.991     94.188   16.781     66.384   19.482  8.9069  17.678  7.8258  1.804028       11.85647 
1 1 1 -7  -56 45 o 62.128  10.054  678.036    146.390  470.863    179.554  1088.76    252.814  40.801  14.471  62.976  16.387  -22.17546      21.86216 
1 1 1 -7  -56 46 o 24.841  10.503  115.083    109.034  49.810     126.988  298.202    212.697  22.128  10.199  29.929  13.567  -7.800966      16.97283 
1 1 1 -7  -56 47 o 10.733  5.1539  -43.2046   38.975   -290.2177  110.841  -8.3542    41.634   13.244  6.7135  13.229  5.9988  0.1536942E-01  9.003173 
1 1 1 -7  -56 48 o 22.091  8.0812  78.715     56.512   51.840     117.191  86.857     64.507   21.654  9.9127  22.813  8.5800  -1.159567      13.11025 
1 1 1 -7  -56 49 o 16.283  7.0726  18.131     51.957   -45.3993   112.959  35.177     58.514   18.047  8.6931  18.080  7.6722  -0.3220749E-01 11.59454 
1 1 1 -7  -55 11 o 15.290  7.0272  -10.1087   59.699   -40.3032   88.229   15.389     81.078   16.586  7.9075  18.388  8.3510  -1.801777      11.50077 
1 1 1 -7  -55 12 o 19.847  8.1273  52.807     62.340   40.779     99.108   60.681     80.191   20.685  9.3288  21.065  8.9618  -0.3808098     12.93599 
1 1 1 -7  -55 13 o 18.238  7.7795  32.205     60.720   111.635    92.327   -28.3342   80.604   24.800  9.9875  16.582  7.8014  8.218178       12.67331 
1 1 1 -7  -55 14 o 34.138  8.4060  190.407    69.166   163.499    96.619   218.691    99.058   28.737  10.558  33.260  10.760  -4.522961      15.07526 
1 1 1 -7  -55 15 o 31.378  8.2993  160.238    64.160   222.857    90.513   97.001     90.959   34.849  10.111  24.044  9.8283  10.80554       14.10076 
1 1 1 -7  -55 16 o 29.404  8.6968  144.755    66.393   214.338    98.068   85.875     90.211   33.275  10.700  23.371  9.6941  9.903696       14.43852 
1 1 1 -7  -55 17 o 17.810  7.5484  28.301     56.529   -29.2712   78.666   89.775     81.288   16.553  7.7620  23.604  9.4183  -7.050669      12.20463 
1 1 1 -7  -55 18 o 27.133  8.3801  120.329    60.725   105.795    85.456   135.153    86.305   24.884  9.7413  27.264  9.9848  -2.380003      13.94949 
1 1 1 -7  -55 19 o 22.796  8.3695  80.951     60.695   89.865     82.582   70.479     89.506   23.691  9.4792  22.494  9.5141  1.196510       13.43035 
1 1 1 -7  -55 20 o 23.673  8.5831  89.597     63.544   130.940    86.077   40.081     94.202   26.967  9.9564  20.969  9.3005  5.997679       13.62463 
1 1 1 -7  -55 21 o 36.209  9.9164  231.790    89.685   222.062    96.904   289.875    236.788  34.379  10.581  30.416  13.985  3.962975       17.53673 
1 1 1 -7  -55 22 o 31.996  8.5990  167.624    68.192   254.236    93.309   68.335     99.904   37.930  9.9973  22.699  9.8335  15.23047       14.02301 
1 1 1 -7  -55 23 o 24.674  9.5149  102.224    80.594   95.294     86.394   148.702    223.735  24.136  9.6820  26.971  12.781  -2.834896      16.03436 
1 1 1 -7  -55 24 o 29.472  8.9055  146.275    69.067   136.413    90.239   160.223    107.318  27.269  10.169  28.458  10.978  -1.188807      14.96423 
1 1 1 -7  -55 25 o 15.183  6.8380  -4.0867    53.036   17.146     65.854   -43.2784   89.469   17.829  7.8482  17.008  8.0664  0.8217754      11.25441 
1 1 1 -7  -55 26 o 21.803  8.4284  70.338     63.358   50.525     83.629   97.031     97.071   21.048  9.0576  24.331  10.071  -3.283260      13.54501 
1 1 1 -7  -55 27 o 18.225  7.7239  30.439     59.181   19.764     85.591   40.218     81.919   19.433  8.7253  20.342  8.8584  -0.9090061     12.43393 
1 1 1 -7  -55 28 o 44.326  6.6655  284.456    69.470   327.152    101.122  246.295    95.602   43.690  9.7825  36.829  10.297  6.861145       14.20312 
1 1 1 -7  -55 29 o 31.761  9.1303  171.360    74.111   253.167    104.182  87.555     105.446  36.363  10.926  23.891  10.223  12.47200       14.96293 
1 1 1 -7  -55 30 o 15.742  7.4963  -51.2361   78.807   -51.2361   78.807   0.0000     0.0000   15.742  7.4963  ?       ?       0.000000       7.496302 
1 1 1 -7  -55 31 o 28.163  10.643  151.710    99.537   151.710    99.537   0.0000     0.0000   28.163  10.643  ?       ?       0.000000       10.64338 
1 1 1 -7  -55 32 o 18.275  7.9594  23.374     66.155   33.069     92.702   13.312     94.438   20.551  9.1639  19.703  8.9730  0.8483067      12.82541 
1 1 1 -7  -55 33 o 30.880  8.4399  154.814    65.042   125.874    102.522  174.307    84.143   26.259  10.542  31.121  9.9014  -4.861423      14.46302 
1 1 1 -7  -55 34 o 37.516  7.9785  218.763    70.393   198.158    103.302  236.626    96.180   31.699  10.996  35.892  10.426  -4.192989      15.15301 
1 1 1 -7  -55 35 o 34.670  8.2867  191.180    68.762   194.682    101.975  188.260    93.116   31.530  10.926  31.691  10.443  -0.1604939     15.11400 
1 1 1 -7  -55 36 o 23.848  8.7529  91.176     66.375   193.421    101.369  14.437     87.819   31.484  10.895  19.358  8.7513  12.12562       13.97413 
1 1 1 -7  -55 37 o 13.591  6.6157  -85.6617   69.906   -208.5804  140.358  -45.1112   80.617   16.938  8.4480  16.179  7.6685  0.7593365      11.40943 
1 1 1 -7  -55 38 f 12.698  6.1491  -69.5979   58.373   -134.5026  155.331  -58.9246   62.990   19.168  9.4391  13.709  6.5750  5.458951       11.50339 
1 1 1 -7  -55 39 o 36.331  9.5576  226.044    85.388   136.620    184.181  250.526    96.370   26.788  12.323  37.311  10.305  -10.52264      16.06396 
1 1 1 -7  -55 40 o 25.462  9.5520  109.888    79.852   0.0000     0.0000   109.888    79.852   ?       ?       25.462  9.5520  0.000000       9.552005 
1 1 1 -7  -55 41 o 29.252  9.9941  154.186    85.206   0.0000     0.0000   154.186    85.206   ?       ?       29.252  9.9941  0.000000       9.994104 
1 1 1 -7  -55 42 o 17.305  7.3844  22.417     54.750   36.007     96.113   15.889     66.614   20.978  9.3444  17.895  7.8845  3.083380       12.22630 
1 1 1 -7  -55 43 f 20.759  7.8424  61.105     54.028   19.973     92.917   82.116     66.408   20.007  9.0270  23.041  8.6969  -3.033752      12.53490 
1 1 1 -7  -55 44 o 23.251  8.2619  84.267     58.553   64.566     101.958  93.962     71.524   22.676  9.8784  24.129  9.0425  -1.452826      13.39209 
1 1 1 -7  -55 45 o 20.889  8.0684  61.479     58.026   38.507     91.640   76.854     74.970   20.829  9.2088  22.666  9.0446  -1.837328      12.90767 
1 1 1 -7  -55 46 o 25.303  8.1851  102.621    57.320   92.859     93.033   108.594    72.773   24.062  9.8995  25.393  9.1885  -1.331200      13.50663 
1 1 1 -7  -55 47 o 27.560  8.0440  121.516    57.134   155.119    120.948  111.864    64.823   27.687  11.327  25.944  8.7178  1.742762       14.29345 
1 1 1 -7  -55 48 o 23.005  8.0425  83.161     55.309   107.561    128.435  77.606     61.282   25.020  10.988  22.388  8.3740  2.631933       13.81517 
1 1 1 -7  -55 49 o 23.747  8.2806  91.153     58.615   151.577    121.023  72.635     66.997   27.146  11.241  21.909  8.6107  5.236422       14.16031 
1 1 1 -7  -55 50 o 18.240  7.5284  37.490     54.019   38.318     116.693  37.264     60.941   21.483  9.8555  18.673  7.8715  2.810184       12.61315 
1 1 1 -7  -55 51 o 17.380  7.3524  28.632     53.471   29.856     118.147  28.316     59.964   21.038  9.7461  17.844  7.6742  3.194010       12.40488 
1 1 1 -7  -54 8  o 17.407  7.6134  20.790     61.102   77.532     92.875   -22.5122   81.134   22.485  9.6070  16.815  7.8841  5.670055       12.42797 
1 1 1 -7  -54 9  o 16.168  7.2589  2.7889     59.239   15.538     90.639   -6.7171    78.268   19.297  8.7893  17.383  8.0102  1.914600       11.89180 
1 1 1 -7  -54 10 o 13.193  6.2482  -39.8231   53.306   32.055     81.393   -93.8115   70.540   19.715  8.6993  13.338  6.5254  6.376973       10.87471 
1 1 1 -7  -54 11 o 20.373  8.2787  53.960     64.059   -3.8748    105.944  87.291     80.427   19.645  9.1443  23.455  9.3653  -3.810163      13.08916 
1 1 1 -7  -54 12 o 18.814  7.8590  36.847     59.888   74.843     91.219   8.0634     79.395   22.900  9.6407  18.442  8.3306  4.457226       12.74134 
1 1 1 -7  -54 13 o 18.518  7.7188  34.674     57.593   9.3364     80.959   60.635     81.949   18.676  8.4264  21.752  9.1465  -3.075470      12.43639 
1 1 1 -7  -54 14 o 39.351  7.3181  230.413    67.302   237.751    96.211   223.381    94.181   36.275  10.396  35.136  10.349  1.139469       14.66846 
1 1 1 -7  -54 15 o 15.463  6.9627  -4.6499    54.957   -0.4436    76.201   -9.2094    79.336   17.844  8.1007  17.683  8.1173  0.1610756      11.46789 
1 1 1 -7  -54 16 o 19.056  7.7627  41.250     56.501   120.934    78.861   -42.7956   80.991   26.607  9.5739  16.396  7.7461  10.21073       12.31505 
1 1 1 -7  -54 17 o 25.298  8.3075  101.711    58.947   94.278     82.173   109.591    84.608   24.302  9.5409  25.523  9.7725  -1.220722      13.65761 
1 1 1 -7  -54 18 o 23.159  8.3896  82.645     60.693   111.891    83.470   49.835     88.410   25.706  9.7389  21.440  9.2692  4.266703       13.44488 
1 1 1 -7  -54 19 o 21.822  8.2472  69.599     59.766   41.829     83.894   98.216     85.163   20.730  8.9958  24.598  9.6950  -3.867580      13.22567 
1 1 1 -7  -54 20 o 29.117  8.7205  139.064    66.444   202.221    91.628   69.024     96.492   33.419  10.289  22.869  9.7822  10.55011       14.19722 
1 1 1 -7  -54 21 o 28.348  8.3336  128.889    61.127   180.614    85.253   74.161     87.692   31.914  9.9413  22.920  9.5366  8.994602       13.77589 
1 1 1 -7  -54 22 o 12.829  6.1011  -45.3560   51.855   -25.5432   69.030   -71.0150   78.557   15.911  7.3979  15.105  7.2694  0.8057957      10.37179 
1 1 1 -7  -54 23 o 13.619  6.3969  -34.8073   53.822   -43.0054   72.003   -24.4260   81.025   15.460  7.3036  17.145  7.9862  -1.685540      10.82229 
1 1 1 -7  -54 24 f 24.527  8.7122  96.261     65.104   54.317     80.286   176.805    111.255  21.345  9.0185  29.897  11.263  -8.551935      14.42897 
1 1 1 -7  -54 25 o 32.112  8.1422  162.062    63.532   119.568    84.088   218.584    96.980   26.356  9.8188  34.458  10.582  -8.101761      14.43536 
1 1 1 -7  -54 26 o 34.511  7.9569  184.106    65.265   242.990    91.011   121.766    93.644   37.551  9.8619  26.387  10.234  11.16421       14.21216 
1 1 1 -7  -54 27 o 13.572  6.3219  -27.7732   50.778   -11.2379   74.482   -42.1316   69.407   17.169  7.8753  15.226  7.1863  1.942747       10.66133 
1 1 1 -7  -54 28 o 24.236  8.4710  92.594     61.359   13.151     84.763   180.052    88.936   19.244  8.6580  31.623  10.192  -12.37872      13.37303 
1 1 1 -7  -54 29 o 17.721  7.9224  7.0462     69.769   7.0462     69.769   0.0000     0.0000   17.721  7.9224  ?       ?       0.000000       7.922398 
1 1 1 -7  -54 30 o 22.704  8.8240  76.369     69.735   75.086     76.988   82.231     164.581  22.765  9.1370  25.223  11.620  -2.458548      14.78237 
1 1 1 -7  -54 31 o 26.093  8.2848  108.195    58.933   41.566     81.845   179.939    84.928   20.661  8.9256  31.984  9.9157  -11.32245      13.34116 
1 1 1 -7  -54 32 o 22.034  8.0333  71.797     55.776   21.034     80.792   118.022    77.097   19.401  8.6085  26.448  9.4715  -7.047207      12.79903 
1 1 1 -7  -54 33 o 15.216  6.9456  -13.2617   56.999   45.944     87.046   -57.7027   75.415   21.207  9.1831  15.280  7.2918  5.927720       11.72602 
1 1 1 -7  -54 34 f 15.952  7.2041  -5.3927    59.332   7.7842     92.520   -14.5967   77.325   19.551  8.8951  17.291  7.9656  2.259827       11.94044 
1 1 1 -7  -54 35 o 34.047  8.1953  181.354    66.887   250.530    97.234   119.219    92.154   37.569  10.340  26.276  10.163  11.29328       14.49847 
1 1 1 -7  -54 36 o 24.650  8.4475  96.086     60.876   38.150     97.879   132.636    77.742   21.338  9.4714  27.823  9.5458  -6.485224      13.44728 
1 1 1 -7  -54 37 o 17.717  7.3988  28.356     53.059   -76.0253   89.966   84.024     65.701   16.116  7.7618  23.370  8.6846  -7.253649      11.64766 
1 1 1 -7  -54 38 o 29.260  8.9529  141.607    69.496   207.970    132.645  116.499    81.590   31.184  12.156  26.221  9.6910  4.962713       15.54614 
1 1 1 -7  -54 39 o 19.908  8.4091  40.630     69.775   0.0000     0.0000   40.630     69.775   ?       ?       19.908  8.4091  0.000000       8.409114 
1 1 1 -7  -54 40 o 30.954  10.040  169.973    86.195   0.0000     0.0000   169.973    86.195   ?       ?       30.954  10.040  0.000000       10.03975 
1 1 1 -7  -54 41 o 25.955  9.1180  110.718    71.132   138.458    156.407  103.484    79.869   27.285  12.049  25.159  9.5278  2.125994       15.36057 
1 1 1 -7  -54 42 o 14.520  6.7543  -27.8260   57.641   -24.8304   154.924  -28.3073   62.100   21.894  10.449  15.048  7.0035  6.845219       12.57892 
1 1 1 -7  -54 43 o 11.692  5.6817  -69.8974   50.979   -109.8153  140.890  -63.8838   54.685   19.118  9.3249  12.477  6.0195  6.640260       11.09904 
1 1 1 -7  -54 44 o 31.478  7.9207  152.825    60.447   62.487     98.871   206.746    76.386   22.774  9.8243  35.854  8.8370  -13.07961      13.21400 
1 1 1 -7  -54 45 f 23.374  8.0727  83.221     55.644   110.941    94.706   68.607     68.765   25.783  10.204  22.110  8.7127  3.672901       13.41775 
1 1 1 -7  -54 46 o 16.772  6.7110  29.161     41.393   21.866     88.598   31.198     46.817   20.051  8.9486  17.469  7.0850  2.581768       11.41380 
1 1 1 -7  -54 47 o 37.847  5.6999  197.488    50.720   214.401    100.826  191.759    58.686   33.923  10.843  36.302  6.9151  -2.379139      12.86073 
1 1 1 -7  -54 48 o 15.229  6.7497  1.1467     49.533   104.556    87.916   -46.9435   59.954   25.204  9.8766  13.898  6.5950  11.30603       11.87606 
1 1 1 -7  -54 49 o 14.059  6.4710  -19.3299   50.870   41.208     111.653  -35.1882   57.146   22.079  9.9349  14.055  6.5986  8.024181       11.92657 
1 1 1 -7  -54 50 o 20.267  7.9480  54.800     56.966   57.291     131.176  54.221     63.240   23.353  10.612  20.500  8.2623  2.853394       13.44929 
1 1 1 -7  -54 51 o 11.614  5.6026  -56.3931   47.341   -54.1514   111.298  -56.8883   52.310   18.362  8.7890  12.344  5.9385  6.018638       10.60716 
1 1 1 -7  -54 52 o 17.724  7.6123  24.777     58.859   159.047    137.484  -5.3560    65.130   27.469  11.711  16.388  7.4590  11.08020       13.88488 
1 1 1 -7  -54 53 o 19.237  7.9575  44.139     60.546   50.761     137.008  42.532     67.494   22.685  10.504  19.500  8.2556  3.185007       13.36015 
1 1 1 -7  -53 6  o 26.152  8.8893  115.999    67.405   105.030    100.112  125.094    91.166   24.677  10.222  26.158  10.111  -1.480703      14.37763 
1 1 1 -7  -53 7  o 23.264  8.5066  85.225     62.609   99.421     94.073   73.939     83.884   24.513  10.005  22.617  9.3620  1.895876       13.70190 
1 1 1 -7  -53 8  o 37.663  8.0549  219.896    71.382   183.328    107.971  248.288    95.140   30.455  11.166  37.402  10.201  -6.947613      15.12411 
1 1 1 -7  -53 9  o 25.790  8.6656  107.469    64.048   32.745     97.873   163.437    84.704   21.056  9.4006  30.382  9.9575  -9.325838      13.69392 
1 1 1 -7  -53 10 o 24.221  8.4154  91.584     60.512   98.963     95.970   86.714     77.962   24.909  10.129  23.786  9.3063  1.123045       13.75499 
1 1 1 -7  -53 11 o 15.940  7.1294  -1.3941    56.567   -15.5731   86.982   8.9979     74.465   18.173  8.3990  18.329  8.1903  -0.1560955     11.73135 
1 1 1 -7  -53 12 o 15.095  6.8365  -9.8176    53.879   -38.6163   75.267   20.449     77.161   16.097  7.5623  19.219  8.4758  -3.121565      11.35903 
1 1 1 -7  -53 13 o 25.340  8.3616  100.689    59.692   9.5217     83.314   196.850    85.565   19.098  8.5888  33.891  9.8303  -14.79321      13.05381 
1 1 1 -7  -53 14 o 21.001  8.0505  60.274     57.461   -13.6792   80.891   135.599    81.638   17.752  8.1665  28.130  9.7745  -10.37812      12.73709 
1 1 1 -7  -53 15 o 16.493  7.1903  10.671     54.105   35.823     75.399   -16.0309   77.686   20.029  8.6094  17.339  7.9863  2.690392       11.74319 
1 1 1 -7  -53 16 f 19.524  7.7811  45.979     55.422   -87.4081   77.215   187.722    79.596   14.505  7.0357  33.505  9.4056  -18.99972      11.74594 
1 1 1 -7  -53 17 o 14.250  6.5380  -18.2299   51.370   -12.6658   68.626   -25.3210   77.472   16.611  7.5973  16.890  7.8478  -0.2789879     10.92279 
1 1 1 -7  -53 18 o 20.434  8.0290  54.088     58.239   102.685    80.551   0.8590     84.303   25.203  9.5626  18.723  8.5079  6.479956       12.79954 
1 1 1 -7  -53 19 o 27.049  8.4553  116.340    61.611   165.885    84.123   59.018     90.485   30.894  9.9078  22.298  9.5037  8.595917       13.72896 
1 1 1 -7  -53 20 o 30.291  8.2476  143.937    62.251   167.633    82.561   112.716    94.768   31.203  9.7934  25.997  10.233  5.206675       14.16446 
1 1 1 -7  -53 21 f 24.139  8.5437  90.146     62.557   119.333    83.610   53.028     94.288   26.639  9.8168  22.144  9.5732  4.494854       13.71183 
1 1 1 -7  -53 22 o 16.200  7.2242  0.2970     57.622   -11.1275   75.313   16.428     89.490   17.386  7.9546  19.923  8.9349  -2.536289      11.96279 
1 1 1 -7  -53 23 o 21.108  8.2047  59.760     60.296   64.716     78.780   52.752     93.687   22.264  9.1289  22.139  9.5568  0.1246815      13.21622 
1 1 1 -7  -53 24 o 21.005  8.3317  57.018     63.267   -45.9835   82.475   204.292    98.620   16.576  7.8267  33.528  10.725  -16.95191      13.27704 
1 1 1 -7  -53 25 o 22.070  8.1947  69.888     58.475   120.504    78.444   6.5858     87.725   26.954  9.5644  19.357  8.7490  7.597103       12.96237 
1 1 1 -7  -53 26 o 27.996  8.4122  123.488    61.754   166.297    89.512   84.607     85.306   30.763  10.244  23.980  9.6204  6.783257       14.05289 
1 1 1 -7  -53 27 o 24.075  9.6150  85.833     84.790   85.833     84.790   0.0000     0.0000   24.075  9.6150  ?       ?       0.000000       9.615001 
1 1 1 -7  -53 28 o 21.989  9.0733  60.018     78.437   60.018     78.437   0.0000     0.0000   21.989  9.0733  ?       ?       0.000000       9.073337 
1 1 1 -7  -53 29 o 22.449  8.6971  70.847     67.580   110.046    76.008   -77.0803   147.655  26.088  9.3978  20.524  9.8992  5.563189       13.64962 
1 1 1 -7  -53 30 o 13.648  6.4773  -48.4897   57.875   -36.9380   70.898   -71.5603   100.195  15.778  7.3890  17.367  8.3195  -1.588795      11.12706 
1 1 1 -7  -53 31 o 22.491  7.9886  73.998     54.737   172.772    80.401   -11.3342   74.730   32.124  9.5864  17.394  7.9449  14.73026       12.45074 
1 1 1 -7  -53 32 f 24.169  8.6746  89.318     64.703   137.989    76.963   -27.9936   119.487  28.787  9.4944  20.235  9.5133  8.551554       13.44046 
1 1 1 -7  -53 33 o 22.862  7.9961  77.317     54.676   67.065     81.488   85.712     73.738   22.637  9.2835  23.897  9.1295  -1.260208      13.02040 
1 1 1 -7  -53 34 o 41.351  6.2677  238.822    60.915   309.884    88.295   174.279    84.148   45.019  8.3919  31.962  9.8636  13.05659       12.95051 
1 1 1 -7  -53 35 o 34.199  7.0472  170.170    56.533   192.843    87.765   154.091    73.910   33.497  10.020  30.638  9.2022  2.858376       13.60463 
1 1 1 -7  -53 36 o 23.885  8.1499  86.522     56.660   123.464    95.255   66.294     70.486   26.972  10.359  22.138  8.7900  4.834301       13.58590 
1 1 1 -7  -53 37 o 12.970  6.1667  -47.7361   52.923   0.0000     0.0000   -47.7361   52.923   ?       ?       12.970  6.1667  0.000000       6.166663 
1 1 1 -7  -53 38 o 17.605  7.8971  1.7696     69.943   0.0000     0.0000   1.7696     69.943   ?       ?       17.605  7.8971  0.000000       7.897080 
1 1 1 -7  -53 39 o 26.031  9.2633  109.552    73.633   0.0000     0.0000   109.552    73.633   ?       ?       26.031  9.2633  0.000000       9.263278 
1 1 1 -7  -53 40 o 15.957  6.9389  8.8153     50.121   52.102     90.147   -10.5530   60.300   21.981  9.4301  15.874  7.2063  6.107423       11.86835 
1 1 1 -7  -53 41 o 26.931  8.2080  113.107    58.488   158.000    93.891   84.640     74.767   29.759  10.474  23.759  9.1638  5.999826       13.91696 
1 1 1 -7  -53 42 o 18.509  7.8928  26.431     62.468   63.041     142.643  17.744     69.485   24.499  11.107  18.514  8.1077  5.985226       13.75153 
1 1 1 -7  -53 43 o 16.710  7.3713  6.2751     58.399   -29.6174   128.274  15.659     65.590   20.665  9.7586  18.042  7.8897  2.623215       12.54896 
1 1 1 -7  -53 44 o 13.453  6.3775  -46.1529   55.789   -7.9203    133.882  -54.1868   61.372   21.679  10.153  13.857  6.6030  7.822132       12.11113 
1 1 1 -7  -53 45 o 16.435  7.3123  1.4524     58.676   -5.8624    127.695  3.4102     66.063   21.437  9.9990  17.335  7.7324  4.102777       12.63999 
1 1 1 -7  -53 46 f 23.783  6.9130  82.705     42.275   -49.0011   91.885   118.070    47.614   17.397  8.2286  28.407  6.9621  -11.00954      10.77872 
1 1 1 -7  -53 47 o 23.014  7.0833  77.526     43.428   159.873    94.203   55.302     48.939   30.032  10.496  20.257  7.5017  9.775406       12.90135 
1 1 1 -7  -53 48 o 19.607  7.0697  51.879     43.026   7.7812     92.113   64.185     48.660   19.794  8.9543  21.271  7.5345  -1.476563      11.70247 
1 1 1 -7  -53 49 o 11.265  5.2868  -29.3059   36.636   -84.7030   85.877   -16.9805   40.507   15.591  7.5270  12.740  5.8306  2.850949       9.521131 
1 1 1 -7  -53 50 o 11.129  5.4406  -76.5928   48.763   1.4847     120.944  -91.7489   53.286   21.283  9.8599  11.298  5.5567  9.985011       11.31788 
1 1 1 -7  -53 51 o 33.607  8.2900  176.109    67.180   201.253    144.850  169.218    75.828   30.743  12.465  31.961  9.2494  -1.217264      15.52149 
1 1 1 -7  -53 52 o 23.132  8.5646  81.004     63.783   -54.9094   150.224  110.894    70.449   20.949  10.075  26.042  9.0782  -5.092833      13.56162 
1 1 1 -7  -53 53 o 22.746  8.6385  77.863     65.773   284.591    153.678  31.502     72.776   34.502  13.180  19.442  8.4076  15.06024       15.63332 
1 1 1 -7  -53 54 o 15.754  7.1593  -7.9582    59.712   23.361     148.387  -14.0097   65.227   22.646  10.632  16.020  7.3562  6.626150       12.92887 
1 1 1 -7  -52 3  o 20.155  8.4671  47.445     70.118   50.194     96.962   44.431     101.519  21.567  9.5069  21.470  9.5806  0.9682083E-01  13.49694 
1 1 1 -7  -52 4  o 16.292  7.2825  1.8199     58.926   19.964     90.964   -11.2998   77.351   19.918  8.9643  17.373  7.9899  2.544977       12.00820 
1 1 1 -7  -52 5  o 25.909  9.9151  113.309    87.067   74.474     111.105  175.109    140.157  23.741  10.327  29.104  12.079  -5.363092      15.89174 
1 1 1 -7  -52 6  o 18.144  8.2753  -5.2129    80.696   32.023     100.438  -73.0205   135.536  21.332  9.5235  19.761  9.5194  1.571293       13.46532 
1 1 1 -7  -52 7  o 25.098  9.7653  99.625     85.479   81.871     109.020  127.959    137.721  24.372  10.411  27.181  11.658  -2.808247      15.63012 
1 1 1 -7  -52 8  o 21.883  9.1380  56.644     80.928   91.713     98.898   -14.4325   140.795  24.807  10.207  21.872  10.297  2.934212       14.49807 
1 1 1 -7  -52 9  o 18.067  8.1417  0.1454     75.317   53.696     93.753   -97.3105   126.476  22.342  9.6018  18.720  9.0616  3.622437       13.20259 
1 1 1 -7  -52 10 o 20.389  8.6250  40.259     73.576   103.420    86.896   -119.6944  138.285  25.548  9.8720  19.003  9.2623  6.544291       13.53691 
1 1 1 -7  -52 11 f 19.470  8.3005  31.726     69.057   33.207     80.252   27.501     135.550  20.358  8.8163  23.069  10.597  -2.710823      13.78521 
1 1 1 -7  -52 12 o 18.389  8.1278  12.249     71.339   16.388     78.376   -7.7383    172.252  19.218  8.5054  23.461  11.146  -4.243706      14.02082 
1 1 1 -7  -52 13 o 28.531  9.7070  136.761    80.377   176.917    89.707   -26.7236   181.006  31.846  10.233  23.317  11.173  8.528803       15.15106 
1 1 1 -7  -52 14 o 13.286  6.4380  -79.1871   64.237   -93.7432   69.766   1.8846     164.648  13.500  6.5799  23.425  11.060  -9.924494      12.86916 
1 1 1 -7  -52 15 o 14.148  6.7111  -49.8021   61.979   -22.5746   66.976   -212.1080  163.525  16.031  7.3952  18.789  9.3293  -2.757870      11.90486 
1 1 1 -7  -52 16 o 21.982  8.9562  61.054     75.224   51.409     84.743   96.895     163.360  21.772  9.2357  26.436  11.945  -4.664442      15.09886 
1 1 1 -7  -52 17 o 26.349  9.6991  112.692    81.587   89.685     91.635   200.673    179.194  24.612  9.9367  30.544  13.201  -5.931725      16.52278 
1 1 1 -7  -52 18 o 24.304  9.3962  88.403     78.753   45.002     89.224   241.441    167.545  21.666  9.3394  32.755  13.358  -11.08942      16.29926 
1 1 1 -7  -52 19 o 43.447  9.6353  305.542    98.914   243.877    112.639  513.330    206.767  36.222  11.449  44.884  15.558  -8.661968      19.31644 
1 1 1 -7  -52 20 o 19.461  8.5154  21.265     76.511   5.4032     82.688   115.692    201.751  19.072  8.5685  27.879  12.852  -8.807085      15.44625 
1 1 1 -7  -52 21 o 28.857  10.169  140.766    88.522   97.666     97.318   347.381    213.075  25.441  10.251  36.164  14.941  -10.72289      18.11954 
1 1 1 -7  -52 22 o 28.509  10.076  135.799    86.981   115.206    95.505   235.961    210.626  26.723  10.343  31.962  14.053  -5.238379      17.44910 
1 1 1 -7  -52 23 o 14.502  6.8688  -50.9923   64.461   -28.6491   69.092   -201.1120  179.092  16.085  7.4522  20.105  9.9438  -4.019171      12.42636 
1 1 1 -7  -52 24 o 23.151  8.2305  77.655     58.117   83.010     80.156   71.721     84.386   24.110  9.4354  23.387  9.5025  0.7228470      13.39121 
1 1 1 -7  -52 25 o 11.574  5.6241  -71.7683   49.931   -113.4305  68.310   -23.9732   73.165   12.806  6.2971  16.792  7.7403  -3.985693      9.978278 
1 1 1 -7  -52 26 o 21.929  8.9253  57.216     74.610   57.216     74.610   0.0000     0.0000   21.929  8.9253  ?       ?       0.000000       8.925299 
1 1 1 -7  -52 27 o 19.028  8.4100  11.664     76.374   11.664     76.374   0.0000     0.0000   19.028  8.4100  ?       ?       0.000000       8.410041 
1 1 1 -7  -52 28 o 36.704  7.2435  193.855    62.219   280.297    91.807   120.428    84.614   42.400  9.1890  27.394  9.9086  15.00538       13.51363 
1 1 1 -7  -52 29 o 46.341  5.9790  292.257    65.660   228.100    94.054   353.252    91.706   37.068  10.156  49.083  7.9740  -12.01461      12.91272 
1 1 1 -7  -52 30 o 42.650  6.1959  249.893    62.243   220.523    92.861   273.852    83.874   36.448  10.134  42.725  8.3899  -6.277760      13.15599 
1 1 1 -7  -52 31 o 38.831  6.7243  211.879    61.061   256.564    90.551   174.616    82.690   40.251  9.4357  32.695  9.7140  7.555569       13.54231 
1 1 1 -7  -52 32 o 17.055  7.1299  21.023     49.347   76.283     71.016   -30.5678   68.619   23.381  8.9529  15.994  7.4158  7.386439       11.62535 
1 1 1 -7  -52 33 o 22.257  7.8874  69.851     53.331   82.513     78.395   58.942     72.763   24.107  9.3596  21.992  8.8629  2.115477       12.89005 
1 1 1 -7  -52 34 o 19.631  7.3032  49.189     46.487   106.547    75.189   13.695     59.147   26.179  9.3559  17.509  7.5757  8.670275       12.03844 
1 1 1 -7  -52 35 f 28.477  7.3739  119.105    51.354   118.030    79.791   119.865    67.097   27.186  9.6462  27.695  8.8450  -0.5092297     13.08750 
1 1 1 -7  -52 36 o 27.041  8.6749  113.336    64.487   0.0000     0.0000   113.336    64.487   ?       ?       27.041  8.6749  0.000000       8.674908 
1 1 1 -7  -52 37 o 14.035  6.4910  -26.3515   52.083   0.0000     0.0000   -26.3515   52.083   ?       ?       14.035  6.4910  0.000000       6.491001 
1 1 1 -7  -52 38 o 32.069  9.3652  166.541    77.424   0.0000     0.0000   166.541    77.424   ?       ?       32.069  9.3652  0.000000       9.365160 
1 1 1 -7  -52 39 o 26.685  8.3542  109.441    60.120   106.456    94.294   111.486    78.039   26.079  10.226  26.484  9.5244  -0.4049797     13.97455 
1 1 1 -7  -52 40 o 30.095  8.5243  141.061    65.076   184.631    95.788   103.713    88.686   32.489  10.586  25.793  9.9715  6.695194       14.54289 
1 1 1 -7  -52 41 o 18.324  7.5502  31.220     54.216   92.783     91.574   -2.0050    67.273   24.985  9.9873  17.259  7.7431  7.726740       12.63733 
1 1 1 -7  -52 42 o 19.622  7.7747  44.949     55.036   70.690     91.133   30.172     69.049   23.441  9.7351  19.461  8.2985  3.979939       12.79205 
1 1 1 -7  -52 43 o 16.955  7.1551  19.610     50.438   79.479     83.124   -15.2779   63.454   23.778  9.5116  16.077  7.3346  7.701017       12.01111 
1 1 1 -7  -52 44 f 29.138  9.1989  137.416    72.735   196.330    150.105  119.339    83.149   31.074  12.655  27.033  9.8156  4.041138       16.01542 
1 1 1 -7  -52 45 o 16.456  7.3051  1.1602     58.240   -62.6149   124.647  18.972     65.873   19.655  9.3785  18.417  7.9818  1.238037       12.31519 
1 1 1 -7  -52 46 o 18.931  7.9322  31.488     61.281   -51.5824   127.660  56.362     69.856   20.191  9.5936  21.468  8.6728  -1.276625      12.93271 
1 1 1 -7  -52 47 o 26.094  8.9675  106.769    68.622   119.437    136.620  102.494    79.359   27.242  11.646  25.607  9.5390  1.635290       15.05400 
1 1 1 -7  -52 48 o 23.147  7.1603  77.841     44.313   195.800    93.672   43.832     50.298   33.670  10.410  19.214  7.4867  14.45578       12.82221 
1 1 1 -7  -52 49 o 14.828  6.3810  7.2476     41.509   -18.1956   89.155   14.289     46.903   18.543  8.5465  16.130  6.8578  2.412958       10.95777 
1 1 1 -7  -52 50 o 16.618  6.7207  25.478     41.997   115.999    88.305   -0.9816    47.742   26.774  10.045  15.027  6.6452  11.74710       12.04392 
1 1 1 -7  -52 51 o 30.723  7.9387  142.913    59.604   113.262    97.865   160.397    75.150   26.518  10.412  31.477  9.2364  -4.958427      13.91821 
1 1 1 -7  -52 52 o 17.936  7.6706  21.017     59.308   -136.3216  132.628  60.343     66.307   18.306  8.9543  21.593  8.5407  -3.287220      12.37429 
1 1 1 -7  -52 53 o 20.518  8.2374  50.772     62.595   39.949     140.175  53.468     69.957   23.717  10.851  21.139  8.6276  2.577967       13.86318 
1 1 1 -7  -52 54 o 25.564  8.8427  103.797    66.778   122.148    147.650  99.078     74.873   26.969  11.814  25.015  9.2759  1.953644       15.02048 
1 1 1 -7  -52 55 o 22.998  8.6759  79.321     66.062   272.254    150.130  32.993     73.568   34.393  13.054  19.688  8.4838  14.70504       15.56828 
1 1 1 -7  -51 1  o 32.374  10.569  194.825    95.461   152.454    109.013  334.168    197.691  28.240  11.017  34.118  14.268  -5.878767      18.02596 
1 1 1 -7  -51 2  o 16.601  7.8356  -43.8813   82.533   -56.8838   94.532   -2.1945    169.264  17.229  8.2059  23.151  11.014  -5.921993      13.73455 
1 1 1 -7  -51 3  o 24.991  9.7276  97.891     84.847   79.137     100.670  143.884    157.654  24.022  10.121  28.029  12.245  -4.006472      15.88638 
1 1 1 -7  -51 4  o 26.684  9.8808  116.816    84.898   147.678    104.477  56.823     145.667  28.815  10.901  24.588  11.177  4.227493       15.61253 
1 1 1 -7  -51 5  o 13.691  6.6341  -83.5081   68.205   -97.5080   82.670   -53.6674   120.696  14.936  7.2529  19.648  9.3335  -4.712602      11.82024 
1 1 1 -7  -51 6  o 32.689  10.172  182.078    89.280   212.510    110.081  123.584    152.617  33.959  11.361  27.671  12.069  6.287832       16.57510 
1 1 1 -7  -51 7  o 45.639  9.0195  323.488    96.340   74.749     120.691  760.309    159.939  24.787  10.773  69.030  9.8263  -44.24329      14.58128 
1 1 1 -7  -51 8  o 18.839  8.3540  10.642     75.966   -84.2552   93.195   198.537    131.137  16.468  7.9235  31.906  12.178  -15.43769      14.52902 
1 1 1 -7  -51 9  o 38.789  9.5710  243.691    89.527   317.948    110.717  103.422    152.168  43.209  10.633  26.815  11.860  16.39427       15.92861 
1 1 1 -7  -51 10 o 19.971  8.3135  39.328     66.683   22.727     79.363   79.189     122.978  19.803  8.6685  25.028  10.876  -5.225090      13.90805 
1 1 1 -7  -51 11 o 32.748  9.5518  176.068    80.584   168.253    97.258   193.181    143.923  30.941  10.673  31.163  12.498  -0.2217846     16.43532 
1 1 1 -7  -51 12 o 17.945  7.8869  10.638     66.280   11.355     73.106   7.3277     157.087  18.624  8.2299  23.596  11.034  -4.972641      13.76508 
1 1 1 -7  -51 13 o 64.610  6.8461  586.492    105.692  544.609    120.857  722.666    217.922  60.128  8.5223  56.955  15.400  3.173706       17.60058 
1 1 1 -7  -51 14 o 42.483  8.7340  277.005    87.024   270.705    97.584   301.476    192.329  40.593  9.9781  35.321  14.348  5.271881       17.47638 
1 1 1 -7  -51 15 o 23.709  9.0636  80.251     72.706   89.406     80.035   37.018     173.929  24.645  9.4879  25.269  11.747  -0.6237316     15.10007 
1 1 1 -7  -51 16 o 27.169  9.4247  116.948    75.883   122.423    84.308   93.588     174.148  27.543  9.9002  27.179  12.302  0.3640804      15.79079 
1 1 1 -7  -51 17 o 17.693  7.9002  0.0662     69.150   -2.1291    76.214   10.289     164.468  18.266  8.2146  24.286  11.334  -6.019764      13.99812 
1 1 1 -7  -51 18 o 22.013  8.9066  57.599     73.797   74.970     81.943   -16.9754   169.780  23.709  9.4574  23.822  11.242  -0.1125736     14.69119 
1 1 1 -7  -51 19 o 39.689  9.5618  249.353    90.991   273.526    102.948  163.044    194.528  40.714  10.387  30.275  13.400  10.43860       16.95416 
1 1 1 -7  -51 20 o 39.083  10.027  247.143    95.550   211.281    106.529  394.720    216.102  34.815  11.148  39.794  15.515  -4.979137      19.10444 
1 1 1 -7  -51 21 o 23.988  9.2816  78.705     76.891   111.704    83.270   -112.2767  200.323  26.925  9.8156  23.255  11.292  3.670614       14.96181 
1 1 1 -7  -51 22 o 40.833  9.2485  256.990    89.506   333.270    100.368  -39.3168   197.816  46.772  9.1716  24.779  11.821  21.99304       14.96173 
1 1 1 -7  -51 23 o 24.702  9.5864  84.362     82.211   67.571     89.747   171.939    204.962  23.751  9.7417  31.160  13.774  -7.408825      16.87113 
1 1 1 -7  -51 24 o 60.817  9.0161  552.992    129.016  552.992    129.016  0.0000     0.0000   60.817  9.0161  ?       ?       0.000000       9.016059 
1 1 1 -7  -51 25 o 37.110  10.810  230.033    103.266  230.033    103.266  0.0000     0.0000   37.110  10.810  ?       ?       0.000000       10.80953 
1 1 1 -7  -51 26 o 26.447  10.116  102.670    90.601   102.670    90.601   0.0000     0.0000   26.447  10.116  ?       ?       0.000000       10.11593 
1 1 1 -7  -51 27 o 27.291  9.6496  113.361    79.779   90.454     92.370   180.630    158.290  25.583  10.093  31.751  12.970  -6.167868      16.43450 
1 1 1 -7  -51 28 o 31.343  8.8480  149.508    70.234   128.174    89.487   183.732    113.340  28.588  10.208  32.674  11.507  -4.085579      15.38211 
1 1 1 -7  -51 29 o 43.248  6.0535  252.391    61.783   351.648    91.943   170.673    83.425   49.526  7.9177  32.833  9.7575  16.69298       12.56579 
1 1 1 -7  -51 30 o 22.658  7.8326  71.060     52.390   59.533     77.918   80.570     70.776   22.693  9.1624  24.148  9.0058  -1.455229      12.84738 
1 1 1 -7  -51 31 o 20.785  7.5731  55.796     49.558   32.153     70.803   78.506     69.390   20.180  8.4946  23.910  8.9172  -3.730272      12.31560 
1 1 1 -7  -51 32 o 18.507  7.3876  33.986     50.033   19.652     72.141   47.271     69.451   19.434  8.3876  21.207  8.6192  -1.773392      12.02675 
1 1 1 -7  -51 33 o 36.916  6.6974  189.088    57.781   292.596    89.744   115.799    75.516   44.427  8.6363  27.538  9.4086  16.88922       12.77136 
1 1 1 -7  -51 34 o 67.567  4.7007  589.466    76.586   612.086    116.783  572.398    101.446  66.024  7.4182  64.801  6.5415  1.223534       9.890397 
1 1 1 -7  -51 35 o 22.333  8.4112  65.429     62.035   0.0000     0.0000   65.429     62.035   ?       ?       22.333  8.4112  0.000000       8.411196 
1 1 1 -7  -51 36 o 30.625  8.7892  143.336    68.728   0.0000     0.0000   143.336    68.728   ?       ?       30.625  8.7892  0.000000       8.789166 
1 1 1 -7  -51 37 o 39.463  6.2053  212.669    57.456   244.898    90.311   190.755    74.471   39.569  9.5217  35.455  8.7175  4.113583       12.90963 
1 1 1 -7  -51 38 o 43.524  5.4954  252.402    56.742   195.211    84.411   299.547    76.640   35.020  9.6328  46.209  7.0594  -11.18930      11.94258 
1 1 1 -7  -51 39 o 45.697  5.3629  277.125    58.333   251.711    85.887   298.887    79.476   40.584  8.9614  45.820  7.4008  -5.235893      11.62232 
1 1 1 -7  -51 40 o 25.683  7.2122  95.425     46.792   121.324    68.867   73.214     63.775   27.997  8.9629  23.008  8.5551  4.988667       12.39045 
1 1 1 -7  -51 41 o 27.577  7.9661  113.597    56.293   169.673    90.736   78.507     71.776   31.861  10.297  23.701  9.0186  8.159206       13.68835 
1 1 1 -7  -51 42 o 26.875  8.0927  108.477    57.107   105.759    89.127   110.369    74.382   26.266  10.036  26.662  9.3263  -0.3957748     13.70073 
1 1 1 -7  -51 43 o 31.676  7.8557  149.255    60.083   180.744    93.058   126.744    78.681   32.653  10.415  28.137  9.6038  4.516319       14.16726 
1 1 1 -7  -51 44 o 35.804  7.5756  187.255    63.759   108.493    98.331   244.391    83.751   26.481  10.424  39.805  8.8953  -13.32370      13.70349 
1 1 1 -7  -51 45 o 56.928  5.8835  438.328    80.097   444.613    110.551  431.383    116.208  54.295  8.6842  52.539  9.4638  1.755711       12.84441 
1 1 1 -7  -51 46 o 17.861  7.6112  19.980     58.016   -278.7229  130.183  94.006     64.807   15.627  7.8438  24.983  8.7073  -9.355333      11.71933 
1 1 1 -7  -51 47 o 21.222  8.3765  55.510     63.657   3.7056     127.726  72.630     73.426   22.248  10.245  23.124  9.0358  -0.8762379     13.66031 
1 1 1 -7  -51 48 o 21.589  8.4536  59.170     64.371   46.915     128.936  63.239     74.293   24.029  10.754  22.403  8.9813  1.625797       14.01136 
1 1 1 -7  -51 49 o 24.916  7.0399  89.805     44.442   96.772     90.481   87.590     51.021   25.502  10.012  24.404  7.7044  1.098755       12.63301 
1 1 1 -7  -51 50 o 14.115  6.1360  2.3394     39.169   -8.7778    85.482   5.2939     44.067   18.792  8.5499  15.080  6.5318  3.712131       10.75943 
1 1 1 -7  -51 51 o 16.014  6.6287  18.645     42.052   -47.8173   90.498   36.947     47.490   17.586  8.2715  18.404  7.2443  -0.8181057     10.99536 
1 1 1 -7  -51 52 o 27.585  7.1687  110.587    48.421   7.7584     99.093   142.841    55.498   20.649  9.3188  31.260  7.4267  -10.61170      11.91626 
1 1 1 -7  -51 53 o 15.560  7.0916  -16.6079   59.128   -121.7224  146.653  3.7958     64.612   19.795  9.6236  17.417  7.7149  2.377918       12.33427 
1 1 1 -7  -51 54 o 44.500  8.0340  293.684    83.555   328.063    165.954  282.010    96.707   38.354  13.876  41.784  9.7215  -3.430073      16.94260 
1 1 1 -7  -51 55 o 28.533  9.0501  130.560    70.339   293.813    156.371  89.149     78.756   36.522  13.430  24.440  9.4110  12.08251       16.39927 
1 1 1 -7  -51 56 o 21.073  8.3896  56.342     64.367   -159.5564  151.454  103.933    71.108   18.984  9.3429  25.602  9.1039  -6.617916      13.04492 
1 1 1 -7  -51 57 o 20.937  8.2285  57.998     61.183   -48.1429   146.470  80.433     67.339   21.009  10.063  23.175  8.7552  -2.165184      13.33856 
1 1 1 -7  -50 1  o 44.150  9.3748  310.018    97.326   351.483    110.910  171.167    202.959  46.076  10.191  29.620  13.355  16.45597       16.79901 
1 1 1 -7  -50 2  o 18.102  7.7268  21.244     59.972   -29.9280   83.980   74.498     85.671   17.598  8.1748  23.620  9.5826  -6.022039      12.59576 
1 1 1 -7  -50 3  o 18.177  7.7668  20.723     60.709   31.542     86.262   10.106     85.456   20.943  9.1051  19.696  8.7894  1.246859       12.65528 
1 1 1 -7  -50 4  o 28.920  8.6274  129.324    65.128   104.948    96.026   150.089    88.627   26.213  10.307  29.999  10.193  -3.785778      14.49567 
1 1 1 -7  -50 5  o 40.368  7.4463  235.063    70.248   264.455    106.710  212.582    93.323   39.279  10.841  35.674  10.243  3.604668       14.91483 
1 1 1 -7  -50 6  o 38.148  7.5301  211.393    67.227   242.605    107.098  191.098    86.360   37.212  11.055  34.101  9.8715  3.110523       14.82075 
1 1 1 -7  -50 7  o 24.498  8.5007  89.221     61.735   89.141     93.059   89.284     82.505   25.007  10.042  24.769  9.6060  0.2374306      13.89696 
1 1 1 -7  -50 8  o 16.439  7.1279  8.8580     52.588   -10.0357   79.361   23.649     70.218   18.145  8.2489  19.254  8.2926  -1.109331      11.69662 
1 1 1 -7  -50 9  o 10.523  5.1714  -82.2289   45.843   -82.7624   69.519   -81.8184   60.980   13.965  6.7496  12.863  6.2423  1.102374       9.193623 
1 1 1 -7  -50 10 o 19.058  7.7245  36.800     55.612   89.769     82.307   -7.6935    75.436   24.840  9.6053  17.905  8.1009  6.935682       12.56528 
1 1 1 -7  -50 11 o 19.149  7.6336  39.546     53.356   111.243    79.304   -19.7487   72.120   26.703  9.6015  16.958  7.7680  9.744919       12.35038 
1 1 1 -7  -50 12 o 21.049  7.8266  58.113     53.378   69.371     75.826   47.055     75.153   23.080  9.1318  21.338  8.8493  1.741264       12.71615 
1 1 1 -7  -50 13 o 36.041  7.2544  185.839    61.244   163.080    86.294   208.937    86.934   31.557  10.026  36.104  9.7116  -4.547575      13.95823 
1 1 1 -7  -50 14 o 32.145  7.5825  150.366    58.183   123.264    81.175   179.000    83.439   27.999  9.7458  33.419  9.7115  -5.419758      13.75837 
1 1 1 -7  -50 15 o 29.276  8.1348  127.602    59.860   137.372    82.927   116.973    86.497   29.385  9.8604  27.478  10.006  1.907011       14.04807 
1 1 1 -7  -50 16 o 14.750  6.9720  -53.3437   65.762   -379.7416  207.521  -16.9072   69.336   19.676  9.8798  16.952  7.7080  2.724409       12.53090 
1 1 1 -7  -50 17 o 27.964  8.2961  116.026    60.346   97.292     83.795   136.210    86.978   25.939  9.7744  29.360  10.096  -3.420809      14.05201 
1 1 1 -7  -50 18 o 43.549  6.4059  258.204    65.667   285.451    94.242   232.491    91.551   43.442  9.2257  38.566  9.7718  4.876404       13.43876 
1 1 1 -7  -50 19 o 18.687  7.6189  30.648     54.486   -39.9227   70.861   132.717    85.220   16.072  7.4805  29.219  9.9948  -13.14683      12.48418 
1 1 1 -7  -50 20 o 36.708  7.5179  191.157    64.708   173.382    84.716   216.052    100.257  33.280  9.8184  36.466  10.659  -3.186668      14.49205 
1 1 1 -7  -50 21 o 64.272  5.2232  537.641    80.750   533.683    112.618  541.829    115.846  61.710  7.6880  61.979  7.8815  -0.2693176     11.01010 
1 1 1 -7  -50 22 o 34.609  7.8164  171.709    64.087   155.303    85.695   192.530    96.538   31.548  9.9875  34.634  10.543  -3.085440      14.52244 
1 1 1 -7  -50 23 o 57.856  5.8079  442.172    80.431   446.486    107.727  436.740    120.905  56.045  8.1614  54.005  9.5773  2.040199       12.58304 
1 1 1 -7  -50 24 o 25.502  9.6022  88.899     80.838   88.899     80.838   0.0000     0.0000   25.502  9.6022  ?       ?       0.000000       9.602199 
1 1 1 -7  -50 25 o 42.019  10.541  278.381    107.293  278.381    107.293  0.0000     0.0000   42.019  10.541  ?       ?       0.000000       10.54132 
1 1 1 -7  -50 26 o 30.841  9.5116  144.383    78.262   109.125    89.289   261.268    162.574  27.450  10.139  37.370  13.701  -9.920078      17.04488 
1 1 1 -7  -50 27 o 19.839  8.2076  31.609     64.425   43.280     82.831   13.737     102.500  22.177  9.2514  21.940  9.7178  0.2362309      13.41725 
1 1 1 -7  -50 28 o 28.238  9.1648  117.876    71.821   129.067    92.356   100.755    114.237  29.194  10.376  27.497  11.097  1.697502       15.19212 
1 1 1 -7  -50 29 o 25.016  9.0131  86.294     69.915   169.213    90.021   -39.7529   110.990  32.923  10.209  20.321  9.4253  12.60226       13.89459 
1 1 1 -7  -50 30 o 20.375  8.2250  39.857     62.779   7.9553     78.578   96.154     104.385  19.586  8.5983  26.885  10.690  -7.298803      13.71877 
1 1 1 -7  -50 31 o 35.453  8.5716  184.072    72.924   122.012    93.871   278.535    115.812  28.595  10.422  41.372  11.243  -12.77710      15.33065 
1 1 1 -7  -50 32 o 56.168  4.8598  406.298    65.581   392.844    98.478   417.020    87.910   52.835  7.9261  55.559  6.6534  -2.723785      10.34848 
1 1 1 -7  -50 33 o 33.526  6.5858  154.062    51.663   181.824    80.109   134.294    67.598   34.669  9.3214  30.120  8.7378  4.548805       12.77644 
1 1 1 -7  -50 34 o 54.544  6.8369  404.871    88.496   0.0000     0.0000   404.871    88.496   ?       ?       54.544  6.8369  0.000000       6.836932 
1 1 1 -7  -50 35 o 24.243  8.6258  80.951     63.846   0.0000     0.0000   80.951     63.846   ?       ?       24.243  8.6258  0.000000       8.625845 
1 1 1 -7  -50 36 o 60.925  4.8516  478.492    71.126   510.359    109.056  454.903    93.827   60.485  7.5986  57.792  6.8226  2.692787       10.21207 
1 1 1 -7  -50 37 o 32.986  6.3912  148.881    49.305   115.316    72.624   177.579    67.153   27.795  9.2255  35.009  8.0708  -7.213558      12.25754 
1 1 1 -7  -50 38 o 24.868  7.0929  87.190     44.894   98.816     64.032   75.950     62.962   26.055  8.6633  23.613  8.5463  2.441368       12.16936 
1 1 1 -7  -50 39 o 48.468  5.0584  306.141    58.611   347.643    83.740   266.286    82.062   50.120  7.0831  42.914  8.1796  7.206161       10.82018 
1 1 1 -7  -50 40 f 23.952  7.1510  81.001     44.732   127.436    63.484   35.214     63.039   29.250  8.4625  19.820  8.1511  9.429995       11.74968 
1 1 1 -7  -50 41 o 10.302  4.9556  -48.1109   36.396   -43.3169   54.608   -51.9426   48.820   13.676  6.4303  12.353  5.8871  1.323836       8.718182 
1 1 1 -7  -50 42 o 30.565  7.0084  132.346    50.869   172.303    74.851   98.053     69.343   33.532  9.0080  25.783  9.0057  7.749344       12.73759 
1 1 1 -7  -50 43 o 34.317  7.5101  169.527    60.797   155.220    92.864   180.259    80.431   30.789  10.434  33.902  9.4328  -3.112301      14.06579 
1 1 1 -7  -50 44 f 19.816  6.8162  52.212     39.651   104.333    84.565   37.524     44.891   26.363  9.8417  18.359  7.0952  8.004887       12.13259 
1 1 1 -7  -50 45 o 21.643  7.1913  65.078     44.123   136.674    87.610   40.747     51.074   29.121  10.125  19.176  7.5240  9.944794       12.61479 
1 1 1 -7  -50 46 o 15.783  6.5745  16.055     41.746   86.987     89.270   -3.7980    47.228   24.991  9.9019  14.874  6.5918  10.11635       11.89533 
1 1 1 -7  -50 47 o 23.216  8.5784  75.075     63.925   -152.1472  133.653  142.472    72.790   18.386  8.9925  30.154  9.1493  -11.76782      12.82867 
1 1 1 -7  -50 48 o 17.760  7.5574  18.695     57.048   -229.5647  118.200  94.086     65.137   15.541  7.7516  25.160  8.7316  -9.618779      11.67597 
1 1 1 -7  -50 49 o 22.877  8.6533  71.005     65.831   27.539     137.345  83.969     75.009   23.896  10.859  24.326  9.2283  -0.4301662     14.25046 
1 1 1 -7  -50 50 o 17.403  7.0286  27.875     45.866   154.954    124.699  7.9927     49.324   29.947  11.754  16.046  6.9303  13.90171       13.64540 
1 1 1 -7  -50 51 o 38.055  6.0003  197.078    53.569   213.264    104.437  191.299    62.404   35.175  11.011  36.579  7.2868  -1.404873      13.20353 
1 1 1 -7  -50 52 o 44.557  5.3847  263.600    57.035   264.039    110.448  263.440    66.602   39.278  11.098  43.747  6.4695  -4.469261      12.84616 
1 1 1 -7  -50 53 o 32.999  6.7915  153.396    52.566   269.159    108.620  117.993    60.068   39.891  10.908  28.019  8.2680  11.87248       13.68760 
1 1 1 -7  -50 54 o 26.146  11.633  73.542     148.510  73.542     148.510  0.0000     0.0000   26.146  11.633  ?       ?       0.000000       11.63327 
1 1 1 -7  -50 55 o 17.558  7.7311  6.0762     63.944   176.306    147.265  -33.4751   70.984   30.825  12.542  16.175  7.5145  14.64983       14.62085 
1 1 1 -7  -50 56 o 32.116  8.8062  160.937    70.676   114.444    160.493  172.122    78.720   27.736  12.228  32.705  9.4124  -4.969509      15.43139 
1 1 1 -7  -50 57 o 37.191  8.5497  212.736    75.540   318.454    150.038  176.839    87.429   38.883  13.262  32.335  10.067  6.548603       16.64991 
1 1 1 -7  -50 58 o 26.690  8.8265  113.212    66.500   -19.1936   155.996  142.617    73.514   22.519  10.672  29.509  9.2380  -6.989895      14.11491 
1 1 1 -7  -49 1  o 37.417  7.8334  204.914    68.838   216.132    97.202   193.627    97.502   35.901  10.496  33.772  10.649  2.129894       14.95231 
1 1 1 -7  -49 2  o 27.906  8.7417  119.164    65.816   140.941    90.488   94.701     95.903   29.377  10.286  25.713  10.239  3.663206       14.51372 
1 1 1 -7  -49 3  o 72.211  5.4372  689.440    94.568   831.528    138.973  566.905    129.057  76.478  7.5894  61.455  8.9151  15.02276       11.70803 
1 1 1 -7  -49 4  o 42.492  7.4368  258.238    73.882   282.792    109.768  237.900    99.899   40.940  10.868  37.771  10.514  3.168346       15.12157 
1 1 1 -7  -49 5  o 39.790  7.3393  226.218    68.248   146.370    103.405  287.848    90.845   29.549  10.912  43.520  8.9031  -13.97095      14.08325 
1 1 1 -7  -49 6  o 36.463  7.9283  195.493    68.145   181.683    106.318  205.123    88.779   32.302  11.159  35.564  9.9155  -3.262039      14.92751 
1 1 1 -7  -49 7  o 24.432  8.1812  87.222     57.086   146.809    86.314   40.894     76.108   30.032  10.060  21.028  8.8269  9.004040       13.38340 
1 1 1 -7  -49 8  o 23.853  8.1495  81.989     56.656   56.022     85.022   102.729    75.984   22.645  9.4036  26.095  9.3968  -3.450256      13.29385 
1 1 1 -7  -49 9  o 12.155  5.7832  -47.9378   46.695   -23.4011   71.397   -66.2779   61.727   16.803  7.7088  13.633  6.5307  3.169910       10.10319 
1 1 1 -7  -49 10 o 46.576  6.3448  295.789    69.839   243.127    105.760  336.509    92.999   38.043  10.899  47.982  8.2876  -9.938950      13.69165 
1 1 1 -7  -49 11 o 27.991  8.0831  115.621    57.967   88.577     85.726   138.404    78.681   25.251  9.7919  29.749  9.5863  -4.498514      13.70324 
1 1 1 -7  -49 12 o 49.290  5.9229  324.972    69.418   322.063    101.338  327.543    95.284   46.052  9.3875  47.182  8.6415  -1.130375      12.75934 
1 1 1 -7  -49 13 o 57.097  5.4136  427.824    74.104   517.939    106.192  342.289    103.458  61.065  7.3124  47.759  9.2621  13.30632       11.80076 
1 1 1 -7  -49 14 o 28.850  8.0619  121.288    58.618   120.280    81.141   122.388    84.776   28.210  9.7480  28.389  9.9552  -0.1789665     13.93299 
1 1 1 -7  -49 15 o 20.175  7.7487  46.480     53.296   39.010     73.736   54.653     77.122   21.122  8.7631  22.527  9.1085  -1.405014      12.63947 
1 1 1 -7  -49 16 o 34.015  7.5859  163.944    61.015   163.611    85.520   164.291    87.079   32.503  9.9293  32.507  10.034  -0.4356384E-02 14.11661 
1 1 1 -7  -49 17 o 61.091  5.2696  484.389    77.348   478.213    111.412  490.136    107.469  58.253  8.1016  59.435  7.6282  -1.181870      11.12764 
1 1 1 -7  -49 18 o 16.911  7.2875  7.3868     54.290   20.504     71.659   -10.2866   83.177   19.766  8.4417  19.091  8.5841  0.6742649      12.03947 
1 1 1 -7  -49 19 o 23.856  8.0805  77.768     55.696   49.155     76.652   109.772    81.066   22.274  9.0541  27.579  9.7297  -5.304674      13.29072 
1 1 1 -7  -49 20 o 18.740  7.6974  26.820     56.130   24.542     72.778   30.164     88.181   20.211  8.5655  21.902  9.3596  -1.691046      12.68742 
1 1 1 -7  -49 21 o 30.187  8.0150  129.980    59.690   129.315    81.301   130.758    87.916   29.545  9.7589  29.643  10.152  -0.9808731E-01 14.08165 
1 1 1 -7  -49 22 o 26.571  8.3947  99.930     60.566   158.946    80.052   20.926     92.622   32.631  9.5209  21.786  9.4531  10.84476       13.41677 
1 1 1 -7  -49 23 o 43.306  8.7489  269.160    88.766   269.160    88.766   0.0000     0.0000   43.306  8.7489  ?       ?       0.000000       8.748870 
1 1 1 -7  -49 24 o 31.822  9.3082  149.383    76.429   149.369    82.963   149.465    196.486  31.622  9.7997  32.585  13.949  -0.9624271     17.04739 
1 1 1 -7  -49 25 o 56.788  4.9401  413.069    67.391   422.369    102.550  406.000    89.407   55.317  7.8615  55.009  6.8466  0.3081474      10.42495 
1 1 1 -7  -49 26 o 25.094  7.7494  87.167     51.930   0.7734     77.472   157.657    69.979   19.282  8.4988  33.057  8.6313  -13.77516      12.11321 
1 1 1 -7  -49 27 o 13.785  6.2629  -19.9081   45.655   -27.2584   67.478   -13.7024   62.002   16.550  7.5557  16.603  7.4423  -0.5291939E-01 10.60545 
1 1 1 -7  -49 28 o 14.552  6.4811  -10.1705   46.219   18.878     68.867   -33.9774   62.345   19.550  8.3108  15.506  7.1469  4.043748       10.96118 
1 1 1 -7  -49 29 o 30.597  8.8543  135.621    69.491   30.715     92.154   273.901    105.802  22.416  9.5733  42.508  10.354  -20.09205      14.10148 
1 1 1 -7  -49 30 o 14.652  6.8003  -38.0945   57.915   -20.2697   78.070   -59.9092   86.366   18.199  8.2369  17.348  8.1342  0.8502026      11.57636 
1 1 1 -7  -49 31 f 54.883  7.0912  406.635    92.224   435.287    121.678  367.955    141.376  54.748  9.5044  47.606  12.187  7.142258       15.45519 
1 1 1 -7  -49 32 o 21.948  8.6633  50.861     68.094   64.784     88.713   30.894     106.238  24.386  9.8009  23.452  10.150  0.9342995      14.10951 
1 1 1 -7  -49 33 o 29.430  11.338  122.563    114.364  0.0000     0.0000   122.563    114.364  ?       ?       29.430  11.338  0.000000       11.33842 
1 1 1 -7  -49 34 o 21.236  9.3529  8.8966     93.645   0.0000     0.0000   8.8966     93.645   ?       ?       21.236  9.3529  0.000000       9.352905 
1 1 1 -7  -49 35 o 32.755  6.7863  146.712    52.163   166.916    82.512   133.261    67.324   33.355  9.6472  30.296  8.7002  3.058796       12.99080 
1 1 1 -7  -49 36 o 21.151  7.0411  58.919     42.292   101.834    61.998   21.569     57.838   26.757  8.4976  18.505  7.7261  8.252707       11.48486 
1 1 1 -7  -49 37 o 20.015  6.8241  51.509     39.725   51.114     56.425   51.896     55.937   21.029  7.9975  21.073  7.9752  -0.4410934E-01 11.29446 
1 1 1 -7  -49 38 o 15.797  6.4802  16.542     39.717   6.2277     53.946   28.750     58.690   16.802  7.2523  19.142  7.8676  -2.340191      10.70029 
1 1 1 -7  -49 39 o 60.680  4.5795  469.911    66.930   476.528    97.337   463.977    92.181   59.331  6.8895  58.807  6.5727  0.5247383      9.521821 
1 1 1 -7  -49 40 o 36.418  6.0078  177.548    51.237   215.625    72.960   140.497    71.969   38.918  7.9938  30.710  9.0467  8.207439       12.07244 
1 1 1 -7  -49 41 o 17.215  6.7757  28.253     41.543   62.599     59.251   -4.9576    58.262   22.229  8.2499  16.504  7.3174  5.725548       11.02748 
1 1 1 -7  -49 42 o 19.760  7.1564  48.434     44.158   36.978     64.555   58.509     60.535   20.228  8.2754  21.850  8.2900  -1.622801      11.71347 
1 1 1 -7  -49 43 o 40.754  5.6515  220.357    54.381   167.260    78.311   269.810    75.576   33.081  9.3444  43.965  7.3436  -10.88360      11.88471 
1 1 1 -7  -49 44 o 48.194  4.7062  299.833    54.331   307.374    101.066  296.767    64.433   44.923  9.5652  47.278  5.7341  -2.354328      11.15230 
1 1 1 -7  -49 45 o 18.018  6.8268  36.625     41.017   147.538    81.034   -1.5795    47.559   30.723  9.7106  15.188  6.6780  15.53455       11.78519 
1 1 1 -7  -49 46 o 41.202  5.2371  223.550    51.174   280.582    95.012   200.245    60.736   42.837  9.3993  37.952  6.8475  4.885265       11.62902 
1 1 1 -7  -49 47 o 11.275  5.2455  -25.6779   34.790   -70.8765   80.817   -15.3970   38.544   15.910  7.5803  12.695  5.7625  3.214965       9.521892 
1 1 1 -7  -49 48 o 31.378  7.9554  144.758    60.654   31.397     90.309   237.914    81.866   21.574  9.3478  39.853  8.7092  -18.27914      12.77622 
1 1 1 -7  -49 49 o 19.009  8.2156  17.593     69.409   0.0000     0.0000   17.593     69.409   ?       ?       19.009  8.2156  0.000000       8.215625 
1 1 1 -7  -49 50 o 19.486  8.0749  32.859     62.507   97.984     124.979  11.135     72.183   26.892  11.301  18.854  8.2598  8.038143       13.99781 
1 1 1 -7  -49 51 o 46.526  7.9311  312.179    86.326   438.035    156.598  257.238    103.466  48.818  12.992  39.582  10.573  9.236473       16.75014 
1 1 1 -7  -49 52 o 37.012  6.1375  186.554    53.188   199.128    105.015  182.216    61.685   34.210  11.080  35.753  7.3559  -1.542820      13.29967 
1 1 1 -7  -49 53 o 65.138  4.5540  545.769    71.525   551.216    131.209  543.466    85.315   60.574  9.2179  64.147  5.5356  -3.572819      10.75228 
1 1 1 -7  -49 54 o 15.515  6.6157  9.3484     43.882   100.255    98.881   -12.9469   48.969   26.433  10.438  14.550  6.5602  11.88249       12.32812 
1 1 1 -7  -49 55 o 41.382  8.1801  250.617    79.225   249.207    167.622  251.022    89.900   35.119  13.672  40.327  9.3667  -5.208294      16.57270 
1 1 1 -7  -49 56 o 27.697  8.8259  116.874    66.836   73.885     151.555  127.254    74.468   26.455  11.762  28.584  9.3350  -2.128700      15.01636 
1 1 1 -7  -49 57 o 20.099  8.1503  42.264     61.942   5.4997     147.512  50.134     68.251   23.604  10.919  21.178  8.5666  2.426477       13.87848 
1 1 1 -7  -49 58 o 35.436  8.5940  192.279    73.132   -89.6509   165.954  260.223    81.469   21.734  10.485  41.675  8.3476  -19.94123      13.40250 
1 1 1 -7  -48 1  o 26.015  8.6970  100.449    64.511   111.803    92.974   89.907     89.585   27.160  10.281  25.405  9.9657  1.754862       14.31846 
1 1 1 -7  -48 2  o 36.707  7.7968  195.433    67.299   238.963    103.483  163.528    88.592   37.864  10.758  31.738  10.166  6.126068       14.80163 
1 1 1 -7  -48 3  o 18.086  7.6467  20.802     57.784   -25.6202   87.898   56.135     76.684   18.448  8.4964  22.285  9.0569  -3.836983      12.41843 
1 1 1 -7  -48 4  o 49.762  8.0545  358.157    93.928   12.546     300.934  395.461    98.867   28.885  13.981  52.333  8.0434  -23.44868      16.12964 
1 1 1 -7  -48 5  o 17.607  7.8646  -3.6846    68.588   38.788     214.906  -8.5014    72.373   27.478  12.867  17.742  7.9894  9.736074       15.14565 
1 1 1 -7  -48 6  o 17.505  7.7956  -2.5572    66.849   377.300    224.607  -39.4754   70.022   39.572  15.698  15.929  7.4212  23.64245       17.36355 
1 1 1 -7  -48 7  o 29.183  10.268  134.274    90.232   104.897    231.898  139.516    97.951   29.878  13.775  29.546  10.665  0.3319073      17.42109 
1 1 1 -7  -48 8  o 35.657  10.350  204.641    94.827   102.283    223.197  227.186    104.751  29.848  13.670  37.077  10.912  -7.228630      17.49113 
1 1 1 -7  -48 9  o 28.894  10.115  128.285    87.501   521.907    217.414  52.205     95.583   48.996  15.948  23.412  9.8632  25.58327       18.75147 
1 1 1 -7  -48 10 o 28.735  10.172  125.248    88.669   25.420     210.717  146.729    97.744   27.798  12.925  30.529  10.690  -2.731796      16.77318 
1 1 1 -7  -48 11 o 15.886  7.3493  -35.5513   66.848   -412.4595  191.990  16.446     71.310   18.753  9.4273  19.398  8.3557  -0.6446209     12.59725 
1 1 1 -7  -48 12 o 23.499  9.3030  64.005     78.737   -121.7648  201.117  97.632     85.567   24.140  11.621  26.520  9.8999  -2.380266      15.26613 
1 1 1 -7  -48 13 o 55.703  8.1156  435.380    106.465  283.351    221.689  480.954    121.378  37.741  15.376  57.783  8.9463  -20.04176      17.78905 
1 1 1 -7  -48 14 o 78.611  6.9767  831.432    131.693  1186.70    264.452  714.276    151.862  84.180  13.396  70.529  9.0853  13.65115       16.18634 
1 1 1 -7  -48 15 o 57.721  7.5708  456.640    103.475  684.378    229.781  398.711    115.890  60.448  15.571  52.258  9.4892  8.190258       18.23456 
1 1 1 -7  -48 16 o 54.503  6.8120  398.143    88.119   488.932    210.946  378.951    96.986   50.325  15.631  52.359  7.8781  -2.034538      17.50448 
1 1 1 -7  -48 17 o 23.205  8.8932  63.165     70.110   196.354    190.424  42.280     75.406   34.824  14.226  21.877  8.9463  12.94689       16.80519 
1 1 1 -7  -48 18 f 20.114  7.7602  42.687     53.631   -29.6209   74.419   120.819    77.358   17.342  7.9239  28.982  9.5168  -11.63996      12.38377 
1 1 1 -7  -48 19 o 20.328  7.6020  46.981     50.498   38.366     72.009   55.318     70.836   21.371  8.7412  22.646  8.8679  -1.275333      12.45182 
1 1 1 -7  -48 20 o 26.059  8.2260  93.807     58.165   32.586     84.467   149.018    80.214   22.059  9.2814  31.934  9.5856  -9.874363      13.34275 
1 1 1 -7  -48 21 o 22.561  9.0769  48.647     76.175   48.647     76.175   0.0000     0.0000   22.561  9.0769  ?       ?       0.000000       9.076889 
1 1 1 -7  -48 22 o 23.095  9.1976  54.023     77.385   54.023     77.385   0.0000     0.0000   23.095  9.1976  ?       ?       0.000000       9.197569 
1 1 1 -7  -48 23 o 56.719  6.6276  424.557    89.492   483.578    98.734   152.852    211.844  60.404  6.8582  33.992  14.516  26.41150       16.05461 
1 1 1 -7  -48 24 o 46.761  5.3740  281.585    59.865   286.454    89.463   277.638    80.559   45.374  8.4365  45.177  7.6203  0.1968842      11.36853 
1 1 1 -7  -48 25 o 26.464  7.3744  95.931     49.119   36.132     71.889   148.292    67.271   21.313  8.7276  32.425  8.4609  -11.11198      12.15555 
1 1 1 -7  -48 26 o 21.687  7.5246  59.188     48.372   10.779     69.028   105.895    67.804   19.197  8.2442  27.616  8.8990  -8.419399      12.13093 
1 1 1 -7  -48 27 o 65.168  4.6670  536.746    73.308   580.203    107.117  498.462    100.541  66.367  6.7456  61.391  6.8672  4.976543       9.626085 
1 1 1 -7  -48 28 o 59.074  4.8735  443.086    69.232   447.078    101.165  439.569    94.949   57.745  7.3897  57.571  6.9368  0.1744003      10.13544 
1 1 1 -7  -48 29 o 21.048  7.3545  54.956     46.249   137.158    74.249   2.8437     59.118   30.979  9.2050  17.456  7.5634  13.52253       11.91369 
1 1 1 -7  -48 30 o 29.794  6.7821  120.120    47.929   154.469    73.682   94.926     63.104   32.881  8.9813  26.349  8.5926  6.531494       12.42969 
1 1 1 -7  -48 31 o 40.702  5.6317  215.223    54.129   181.198    81.543   242.027    72.374   35.414  9.3514  42.311  7.3143  -6.897099      11.87209 
1 1 1 -7  -48 32 o 39.813  12.130  251.081    127.755  0.0000     0.0000   251.081    127.755  ?       ?       39.813  12.130  0.000000       12.13017 
1 1 1 -7  -48 33 o 28.251  10.821  103.413    103.751  0.0000     0.0000   103.413    103.751  ?       ?       28.251  10.821  0.000000       10.82055 
1 1 1 -7  -48 34 o 25.158  8.8157  83.663     66.474   140.307    87.015   4.2701     103.016  31.037  10.089  22.097  9.7669  8.939455       14.04177 
1 1 1 -7  -48 35 o 25.635  8.5319  89.477     62.099   76.360     75.129   117.765    110.332  24.801  9.2728  29.412  11.184  -4.611031      14.52802 
1 1 1 -7  -48 36 o 29.949  8.3233  126.842    62.661   68.377     76.165   249.289    110.225  24.126  9.2638  40.289  10.977  -16.16250      14.36347 
1 1 1 -7  -48 37 o 18.372  6.8691  36.933     41.227   97.613     60.915   -14.3543   56.002   26.486  8.4243  15.790  7.0757  10.69670       11.00159 
1 1 1 -7  -48 38 o 18.229  6.8500  36.001     41.099   38.149     57.960   33.830     58.286   20.065  7.9696  19.708  7.9360  0.3567257      11.24696 
1 1 1 -7  -48 39 o 56.705  4.6717  409.157    63.706   409.365    93.263   408.975    87.228   55.078  7.1471  55.442  6.6147  -0.3644257     9.738303 
1 1 1 -7  -48 40 f 53.031  4.8092  359.509    61.210   357.851    87.392   361.106    85.758   51.353  7.2125  51.733  7.0127  -0.3804283     10.05968 
1 1 1 -7  -48 41 o 74.261  4.3756  697.561    78.494   726.233    113.708  671.460    108.492  74.111  6.3857  71.289  6.3382  2.822037       8.997208 
1 1 1 -7  -48 42 o 59.016  4.6458  444.191    65.988   385.718    95.032   498.636    91.700   52.880  7.6270  61.387  6.2434  -8.506187      9.856536 
1 1 1 -7  -48 43 o 30.875  5.2406  125.322    37.857   155.495    74.296   114.740    43.997   32.386  9.0854  28.996  6.4226  3.389629       11.12629 
1 1 1 -7  -48 44 o 7.2016  3.5594  -49.5909   22.800   -33.5483   49.876   -53.8289   25.635   13.575  6.3041  7.7081  3.8031  5.867284       7.362453 
1 1 1 -7  -48 45 o 36.474  4.7887  172.340    41.357   222.735    79.027   153.334    48.533   39.120  8.5633  33.696  6.1630  5.423088       10.55046 
1 1 1 -7  -48 46 o 25.558  6.9823  91.504     44.528   153.887    86.357   68.912     51.969   31.456  10.033  22.585  7.8014  8.870804       12.70937 
1 1 1 -7  -48 47 f 29.693  6.6044  122.068    46.353   128.889    89.063   119.534    54.285   28.978  10.201  28.858  7.6345  0.1202621      12.74150 
1 1 1 -7  -48 48 o 32.633  6.6943  147.541    51.229   145.598    126.330  147.923    56.044   30.172  11.835  32.304  7.3195  -2.131708      13.91537 
1 1 1 -7  -48 49 o 25.169  7.2196  89.881     46.384   65.628     91.302   98.318     53.850   23.960  9.8264  26.083  7.8595  -2.122986      12.58292 
1 1 1 -7  -48 50 o 15.851  7.1285  -11.7233   57.391   -0.0001    118.259  -15.3350   65.639   22.160  10.072  16.678  7.5503  5.481794       12.58795 
1 1 1 -7  -48 51 o 55.500  7.2026  427.944    94.707   318.653    166.913  479.837    115.015  39.886  13.970  57.448  8.5085  -17.56148      16.35690 
1 1 1 -7  -48 52 o 16.167  7.2198  -7.4568    57.776   -88.1845   120.000  16.903     65.919   19.205  9.1741  18.719  8.0483  0.4853439      12.20411 
1 1 1 -7  -48 53 o 48.191  5.1269  303.459    59.029   354.004    113.811  284.858    69.041   47.577  10.167  45.810  6.3849  1.766823       12.00591 
1 1 1 -7  -48 54 o 24.715  7.5196  86.964     49.120   76.469     104.760  89.921     55.612   25.279  10.463  25.022  8.0589  0.2562733      13.20667 
1 1 1 -7  -48 55 o 24.332  7.3978  83.930     47.554   111.652    99.350   75.691     54.161   27.492  10.575  23.319  7.9681  4.173090       13.24052 
1 1 1 -7  -48 56 o 20.256  8.2032  40.829     62.662   180.267    146.059  9.3744     69.371   32.060  12.677  18.569  8.1172  13.49121       15.05348 
1 1 1 -7  -48 57 o 19.672  8.1166  34.216     62.760   215.128    150.356  -3.9556    69.065   33.867  13.013  17.681  7.8952  16.18627       15.22087 
1 1 1 -7  -48 58 o 35.715  8.7013  192.837    74.710   496.203    170.521  120.770    83.112   51.257  13.517  27.856  9.8491  23.40075       16.72474 
1 1 1 -7  -48 59 o 32.578  8.9354  164.609    72.755   211.563    170.543  154.162    80.442   32.544  13.398  30.971  9.6583  1.573158       16.51633 
1 1 1 -7  -47 1  o 56.957  8.9855  480.872    120.063  614.589    304.694  456.294    130.632  45.360  18.187  53.895  10.366  -8.535015      20.93382 
1 1 1 -7  -47 2  o 46.298  9.7130  329.727    105.632  190.960    299.111  349.500    112.907  32.827  15.309  47.234  10.154  -14.40650      18.36985 
1 1 1 -7  -47 3  o 30.050  10.225  142.831    89.182   -123.5214  275.493  174.010    94.257   26.517  12.957  32.759  10.486  -6.241800      16.66831 
1 1 1 -7  -47 4  o 18.173  8.1964  -10.9422   76.515   -142.8270  221.870  6.8604     81.516   24.240  11.797  19.638  8.6837  4.601873       14.64807 
1 1 1 -7  -47 5  o 35.349  10.361  199.528    94.612   299.354    226.293  178.381    104.152  37.092  15.367  32.966  11.051  4.125637       18.92764 
1 1 1 -7  -47 6  o 28.036  10.102  117.085    87.823   630.046    230.484  29.959     94.989   54.768  16.205  22.168  9.5961  32.59918       18.83347 
1 1 1 -7  -47 7  o 23.221  9.2628  61.220     78.603   87.670     205.596  56.692     85.066   29.742  13.423  23.274  9.5080  6.467678       16.44912 
1 1 1 -7  -47 8  o 26.088  9.8407  92.172     84.988   -54.2818   206.233  122.130    93.276   25.993  12.304  28.752  10.403  -2.759474      16.11259 
1 1 1 -7  -47 9  o 35.199  9.9489  188.866    88.741   219.791    211.179  182.234    97.795   35.260  14.746  34.147  10.649  1.113415       18.18922 
1 1 1 -7  -47 10 o 60.345  7.8369  502.639    112.041  432.033    237.778  522.790    127.026  44.948  16.556  60.535  8.9152  -15.58629      18.80391 
1 1 1 -7  -47 11 o 33.376  10.264  168.978    91.202   265.027    206.508  145.705    101.652  37.929  15.050  31.119  10.902  6.810308       18.58376 
1 1 1 -7  -47 12 o 32.414  10.024  156.749    86.862   300.591    204.351  125.028    95.963   40.058  15.223  29.473  10.566  10.58527       18.53061 
1 1 1 -7  -47 13 o 66.136  7.1461  585.828    112.853  812.786    230.296  514.105    129.462  69.585  14.122  60.196  9.1519  9.388985       16.82848 
1 1 1 -7  -47 14 o 59.374  7.3500  474.256    103.626  279.799    215.851  532.498    118.130  39.365  15.460  62.425  7.9818  -23.05984      17.39927 
1 1 1 -7  -47 15 o 34.428  9.3386  171.641    79.987   76.948     184.938  193.431    88.714   30.194  13.225  36.284  9.8319  -6.089821      16.47894 
1 1 1 -7  -47 16 f 31.961  9.4264  147.146    78.097   193.518    193.247  138.095    85.379   35.616  14.412  30.941  9.9876  4.675383       17.53460 
1 1 1 -7  -47 17 o 46.178  8.7350  297.765    94.288   75.975     192.490  367.780    108.151  30.717  13.472  51.215  9.0332  -20.49849      16.21996 
1 1 1 -7  -47 18 o 20.290  8.6756  15.208     75.839   210.708    168.421  -34.5148   84.938   36.642  13.846  18.529  8.4662  18.11297       16.22882 
1 1 1 -7  -47 19 o 26.276  9.3659  89.757     75.304   49.992     171.235  99.291     83.847   28.941  12.699  27.456  9.8727  1.484390       16.08542 
1 1 1 -7  -47 20 o 45.760  15.469  369.251    204.114  369.251    204.114  0.0000     0.0000   45.760  15.469  ?       ?       0.000000       15.46920 
1 1 1 -7  -47 21 o 26.111  11.791  -8.0882    158.879  -8.0882    158.879  0.0000     0.0000   26.111  11.791  ?       ?       0.000000       11.79056 
1 1 1 -7  -47 22 o 83.955  12.755  1072.85    251.654  1072.85    251.654  0.0000     0.0000   83.955  12.755  ?       ?       0.000000       12.75482 
1 1 1 -7  -47 23 o 60.490  7.4205  485.811    106.629  496.091    199.739  481.713    126.101  54.520  14.744  59.016  9.0985  -4.496624      17.32541 
1 1 1 -7  -47 24 o 43.835  5.1453  245.180    53.685   191.498    86.967   278.232    68.239   36.592  9.6550  46.223  6.2442  -9.631142      11.49818 
1 1 1 -7  -47 25 o 15.141  6.2520  11.539     37.277   -73.5225   68.172   47.820     44.523   14.718  6.9980  20.166  7.2002  -5.448327      10.04070 
1 1 1 -7  -47 26 o 29.008  7.1894  113.849    50.347   64.215     72.042   161.231    70.389   23.868  9.0465  34.048  8.5363  -10.17941      12.43813 
1 1 1 -7  -47 27 o 24.514  7.4982  80.123     48.751   33.507     71.090   121.505    66.981   21.237  8.6857  29.610  8.7289  -8.373230      12.31404 
1 1 1 -7  -47 28 o 38.387  6.0694  192.239    54.653   334.323    92.799   116.784    67.626   49.783  7.9499  29.072  8.8183  20.71100       11.87280 
1 1 1 -7  -47 29 o 23.026  7.2411  69.586     45.111   45.128     73.441   84.405     57.166   22.359  8.9417  25.220  8.1758  -2.860952      12.11600 
1 1 1 -7  -47 30 o 43.854  5.2477  245.812    54.731   220.098    85.121   263.935    71.462   39.607  9.0545  44.736  6.7974  -5.128498      11.32201 
1 1 1 -7  -47 31 o 61.174  6.2337  484.315    91.237   0.0000     0.0000   484.315    91.237   ?       ?       61.174  6.2337  0.000000       6.233750 
1 1 1 -7  -47 32 o 82.873  5.9068  880.597    117.999  0.0000     0.0000   880.597    117.999  ?       ?       82.873  5.9068  0.000000       5.906776 
1 1 1 -7  -47 33 o 29.254  6.9172  115.349    48.328   136.470    75.942   100.974    62.652   31.109  9.3243  27.209  8.5299  3.900904       12.63732 
1 1 1 -7  -47 34 o 45.949  6.9770  280.015    75.343   296.100    95.090   252.885    123.494  46.178  8.8082  40.672  11.813  5.505432       14.73569 
1 1 1 -7  -47 35 o 34.545  8.2550  165.665    68.251   141.362    83.621   214.160    118.124  31.478  9.8523  37.524  11.704  -6.045908      15.29884 
1 1 1 -7  -47 36 o 16.390  6.9856  6.4708     48.886   38.327     58.051   -71.2040   90.647   20.294  8.0026  17.649  8.2938  2.644989       11.52516 
1 1 1 -7  -47 37 o 28.515  8.5185  113.135    63.461   130.839    78.859   80.602     106.904  30.353  9.5778  27.000  10.792  3.353039       14.42888 
1 1 1 -7  -47 38 o 20.876  7.9671  46.686     56.119   59.959     65.854   11.485     107.249  22.890  8.6556  22.943  10.059  -0.5317879E-01 13.27051 
1 1 1 -7  -47 39 o 35.565  5.9563  166.329    49.583   197.760    72.564   138.802    67.909   37.700  8.1686  31.312  8.6512  6.388494       11.89829 
1 1 1 -7  -47 40 o 50.271  4.9029  322.185    59.043   346.646    86.236   300.602    81.008   50.825  7.1938  47.208  7.3082  3.616581       10.25478 
1 1 1 -7  -47 41 o 68.882  4.4008  598.005    73.170   584.261    105.970  610.527    101.153  66.524  6.6544  68.403  6.1607  -1.879013      9.068315 
1 1 1 -7  -47 42 f 32.204  6.6959  140.413    50.616   165.378    74.720   119.241    68.809   33.839  8.9593  28.912  8.9190  4.926908       12.64189 
1 1 1 -7  -47 43 o 36.068  4.7119  166.963    40.251   38.624     71.955   225.415    48.560   21.337  8.7339  41.916  4.8650  -20.57916      9.997427 
1 1 1 -7  -47 44 o 52.550  4.0492  347.801    51.232   462.305    88.546   290.180    62.814   59.209  6.2582  47.189  5.5948  12.02012       8.394468 
1 1 1 -7  -47 45 o 12.353  5.3648  -1.5542    29.884   49.325     64.898   -15.2455   33.665   21.542  8.4719  11.909  5.3978  9.632716       10.04540 
1 1 1 -7  -47 46 o 28.312  5.5365  106.544    36.671   95.879     70.120   110.560    43.024   26.154  9.0604  28.493  6.3816  -2.339842      11.08226 
1 1 1 -7  -47 47 o 16.253  6.5883  20.050     40.459   18.243     84.413   20.589     46.099   20.817  9.0285  17.018  6.9813  3.798429       11.41283 
1 1 1 -7  -47 48 o 28.046  7.2723  110.709    49.903   244.952    125.479  85.487     54.389   37.962  12.093  24.687  7.9718  13.27429       14.48388 
1 1 1 -7  -47 49 o 39.848  5.6299  210.023    52.919   159.988    100.538  229.198    62.238   31.705  10.856  41.156  6.4440  -9.450312      12.62446 
1 1 1 -7  -47 50 o 13.790  6.0831  -4.8123    39.770   -77.7296   84.588   15.880     45.061   16.241  7.7428  16.371  6.8260  -0.1302681     10.32206 
1 1 1 -7  -47 51 o 26.874  8.8671  105.831    67.127   -35.1241   129.828  157.265    78.424   21.822  10.146  32.050  9.4443  -10.22785      13.86147 
1 1 1 -7  -47 52 o 45.789  7.9201  297.981    84.810   294.798    153.575  299.378    101.729  39.615  13.418  44.273  9.7349  -4.657307      16.57742 
1 1 1 -7  -47 53 o 49.511  7.6170  343.933    88.574   166.167    159.345  423.418    106.551  31.657  12.982  54.305  8.3542  -22.64736      15.43790 
1 1 1 -7  -47 54 o 34.828  6.3603  165.246    51.768   178.872    104.619  160.828    59.572   33.049  11.075  33.672  7.4853  -0.6229248     13.36753 
1 1 1 -7  -47 55 o 48.074  5.1107  300.671    58.701   203.396    115.850  334.273    68.090   34.741  11.655  50.332  5.6744  -15.59069      12.96251 
1 1 1 -7  -47 56 o 19.566  7.1875  46.554     44.771   30.792     97.443   50.772     50.406   22.360  9.6991  20.423  7.6034  1.936565       12.32414 
1 1 1 -7  -47 57 o 22.205  8.8113  56.122     70.786   0.0000     0.0000   56.122     70.786   ?       ?       22.205  8.8113  0.000000       8.811311 
1 1 1 -7  -47 58 o 31.647  8.9671  151.567    72.000   173.611    166.795  146.519    79.819   31.833  13.191  30.745  9.6262  1.087795       16.32990 
1 1 1 -7  -47 59 o 47.562  7.3892  318.064    82.508   401.634    172.106  293.126    94.017   44.864  14.149  44.126  9.0838  0.7377281      16.81373 
1 1 1 -7  -47 60 o 24.311  8.8351  84.395     67.389   4.1588     176.287  98.126     72.928   25.058  11.708  25.715  9.2115  -0.6568069     14.89728 
1 1 1 -7  -46 1  o 38.905  10.296  239.128    98.709   611.125    274.287  183.783    105.798  48.863  17.814  33.423  11.137  15.44059       21.00920 
1 1 1 -7  -46 2  o 11.765  5.8663  -155.8482  67.496   114.727    252.704  -176.6335  70.040   31.297  14.412  11.625  5.8236  19.67204       15.54368 
1 1 1 -7  -46 3  o 11.232  5.4308  -64.3291   45.127   -66.8841   56.420   -59.7920   75.185   12.979  6.2243  15.852  7.4812  -2.872945      9.731896 
1 1 1 -7  -46 4  o 34.025  8.0409  165.800    65.333   135.952    86.808   204.793    99.220   29.958  10.088  36.002  10.627  -6.044638      14.65280 
1 1 1 -7  -46 5  o 48.101  6.6237  311.056    75.256   328.921    101.019  288.776    112.811  47.570  9.0833  42.943  10.829  4.626747       14.13393 
1 1 1 -7  -46 6  o 46.918  5.9889  290.275    66.623   283.335    98.278   296.176    90.625   43.842  9.5120  45.674  8.4899  -1.832027      12.74979 
1 1 1 -7  -46 7  o 19.143  7.5209  35.702     51.095   117.769    77.842   -26.4250   67.728   28.589  9.5535  16.633  7.5842  11.95590       12.19794 
1 1 1 -7  -46 8  o 77.481  4.9684  765.212    92.914   757.536    152.365  769.756    117.235  73.602  8.6998  76.548  6.3698  -2.945587      10.78243 
1 1 1 -7  -46 9  o 39.829  6.4989  211.347    60.639   179.993    90.519   236.874    81.675   34.742  10.121  41.015  8.4867  -6.273182      13.20798 
1 1 1 -7  -46 10 o 59.521  5.1044  452.344    73.006   493.469    109.132  419.032    98.219   60.438  7.6105  55.764  7.4450  4.674381       10.64642 
1 1 1 -7  -46 11 o 47.811  5.7085  296.041    64.914   315.147    97.569   280.867    86.951   47.438  8.8007  45.085  8.2525  2.352806       12.06471 
1 1 1 -7  -46 12 o 53.233  5.1303  361.459    65.446   391.658    98.461   337.557    87.597   53.836  7.7618  50.139  7.4247  3.697037       10.74112 
1 1 1 -7  -46 13 o 19.860  7.3142  44.432     46.405   80.674     68.103   13.021     63.403   25.105  8.9113  18.788  7.9803  6.316511       11.96229 
1 1 1 -7  -46 14 o 29.113  7.4035  115.491    52.418   105.358    76.007   124.681    72.388   27.878  9.4396  29.856  9.1377  -1.977886      13.13783 
1 1 1 -7  -46 15 f 33.936  6.9153  154.136    55.009   80.923     79.740   220.613    75.984   25.781  9.5701  40.175  8.0749  -14.39351      12.52165 
1 1 1 -7  -46 16 o 14.836  6.6732  -18.1672   50.324   -16.6968   65.821   -20.2362   78.075   17.203  7.6928  18.556  8.3323  -1.352961      11.34049 
1 1 1 -7  -46 17 o 19.911  7.7876  36.778     54.580   -1.4145    70.912   92.287     85.490   18.808  8.2146  27.126  9.9370  -8.317879      12.89281 
1 1 1 -7  -46 18 o 82.679  8.2179  913.604    162.677  0.0000     0.0000   913.604    162.677  ?       ?       82.679  8.2179  0.000000       8.217889 
1 1 1 -7  -46 19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -7  -46 20 o 36.641  13.998  193.574    173.342  193.574    173.342  0.0000     0.0000   36.641  13.998  ?       ?       0.000000       13.99771 
1 1 1 -7  -46 21 o 39.108  9.5252  215.092    89.549   441.485    184.401  145.226    102.438  52.659  14.136  32.274  10.959  20.38450       17.88586 
1 1 1 -7  -46 22 o 15.836  6.7675  3.5213     46.105   -145.7193  151.169  18.827     48.412   21.554  10.297  17.531  7.1685  4.023569       12.54620 
1 1 1 -7  -46 23 o 76.994  6.1506  758.905    113.946  706.443    218.579  778.482    133.524  67.754  13.765  77.249  7.2069  -9.495247      15.53773 
1 1 1 -7  -46 24 o 34.807  8.5247  166.580    71.424   390.314    169.200  118.069    78.787   50.019  13.588  29.483  9.6006  20.53679       16.63764 
1 1 1 -7  -46 25 o 38.253  8.1382  198.673    73.216   336.686    169.424  166.981    81.188   46.164  13.948  34.541  9.4249  11.62326       16.83345 
1 1 1 -7  -46 26 o 26.332  8.5026  91.634     61.874   138.327    159.673  83.384     67.118   33.401  13.240  25.617  8.8649  7.784210       15.93380 
1 1 1 -7  -46 27 o 54.703  6.6802  388.556    86.826   469.923    183.161  364.971    98.609   54.935  13.768  52.259  8.0339  2.676617       15.94068 
1 1 1 -7  -46 28 o 39.107  5.6472  196.614    52.034   119.498    97.306   227.497    61.578   30.060  10.654  41.869  6.2529  -11.80966      12.35327 
1 1 1 -7  -46 29 o 19.571  7.7352  32.720     54.350   0.0000     0.0000   32.720     54.350   ?       ?       19.571  7.7352  0.000000       7.735159 
1 1 1 -7  -46 30 o 76.346  5.9333  743.349    109.049  0.0000     0.0000   743.349    109.049  ?       ?       76.346  5.9333  0.000000       5.933298 
1 1 1 -7  -46 31 o 17.004  7.1834  8.9048     50.926   0.0000     0.0000   8.9048     50.926   ?       ?       17.004  7.1834  0.000000       7.183389 
1 1 1 -7  -46 32 o 19.525  7.1394  42.202     44.100   98.425     71.697   7.9857     55.932   27.309  9.1685  17.613  7.4885  9.696138       11.83803 
1 1 1 -7  -46 33 o 27.952  6.4033  103.576    42.497   45.991     59.642   162.965    60.570   21.338  8.1966  34.838  7.3942  -13.49965      11.03896 
1 1 1 -7  -46 34 f 39.636  5.4133  201.301    50.700   160.872    73.423   238.148    70.094   34.042  8.8182  42.448  7.0531  -8.405521      11.29187 
1 1 1 -7  -46 35 o 88.322  4.1499  968.758    88.935   840.823    127.300  1090.73    124.300  80.684  6.5592  92.734  5.5497  -12.05054      8.591989 
1 1 1 -7  -46 36 o 15.727  6.7702  1.3379     46.759   -30.8215   54.252   94.241     92.210   14.703  6.7358  27.627  10.284  -12.92389      12.29364 
1 1 1 -7  -46 37 o 30.138  8.4369  125.305    64.138   145.699    80.062   88.770     107.162  32.155  9.5595  27.898  10.912  4.256556       14.50705 
1 1 1 -7  -46 38 o 21.827  8.2033  52.468     58.947   11.945     73.112   127.745    99.648   19.907  8.5151  30.533  10.786  -10.62653      13.74179 
1 1 1 -7  -46 39 o 18.109  7.5400  16.935     54.870   -31.6638   65.982   125.887    98.795   16.357  7.4689  30.294  10.735  -13.93770      13.07785 
1 1 1 -7  -46 40 o 25.613  8.4963  87.307     61.600   64.616     75.040   134.191    107.866  24.034  9.2030  31.068  11.195  -7.034695      14.49222 
1 1 1 -7  -46 41 o 53.841  4.6997  366.515    60.781   415.291    87.057   320.127    84.899   56.353  6.4850  48.882  7.3885  7.471371       9.830851 
1 1 1 -7  -46 42 o 42.290  4.3531  225.865    44.030   216.046    80.731   230.023    52.530   39.208  8.7122  42.325  5.2260  -3.117226      10.15939 
1 1 1 -7  -46 43 o 54.488  3.9901  371.793    52.387   341.177    89.323   387.845    64.678   50.241  7.5616  55.242  4.8753  -5.000935      8.997017 
1 1 1 -7  -46 44 o 39.260  4.5377  196.068    42.431   117.611    75.566   232.193    51.277   28.826  9.4030  42.533  5.0683  -13.70707      10.68199 
1 1 1 -7  -46 45 o 71.747  3.8268  642.964    66.379   672.482    111.023  626.542    82.810   71.531  6.4666  70.189  4.8930  1.341873       8.109186 
1 1 1 -7  -46 46 o 17.558  6.1595  36.933     32.455   33.612     63.144   38.125     37.835   20.162  8.2091  18.194  6.6189  1.967890       10.54513 
1 1 1 -7  -46 47 o 34.834  4.9652  156.973    40.780   155.774    75.832   157.460    48.369   32.603  9.1904  34.417  6.0107  -1.814354      10.98147 
1 1 1 -7  -46 48 o 46.328  5.1580  277.378    56.997   288.038    105.209  272.949    67.810   43.710  10.120  45.267  6.3483  -1.556602      11.94601 
1 1 1 -7  -46 49 o 30.747  6.8236  130.046    49.577   93.620     95.322   143.553    58.046   26.661  10.329  31.935  7.6008  -5.274303      12.82432 
1 1 1 -7  -46 50 o 26.763  7.1548  100.096    47.358   -44.7148   93.758   149.696    54.872   18.614  8.6437  32.850  7.0919  -14.23689      11.18066 
1 1 1 -7  -46 51 o 21.190  7.3279  58.682     45.858   87.837     95.862   50.030     52.220   26.083  10.284  20.555  7.7219  5.527506       12.86056 
1 1 1 -7  -46 52 o 33.260  8.9592  164.595    73.923   270.543    137.367  121.405    87.705   39.266  12.668  28.541  10.115  10.72551       16.21055 
1 1 1 -7  -46 53 o 27.613  9.0905  111.823    70.567   214.319    135.066  73.341     82.761   35.164  12.542  24.371  9.5728  10.79286       15.77812 
1 1 1 -7  -46 54 o 26.626  8.9821  102.404    68.815   56.703     134.594  118.578    80.071   25.954  11.327  28.249  9.6879  -2.294802      14.90487 
1 1 1 -7  -46 55 o 31.572  6.8048  137.766    50.592   135.566    103.709  138.453    57.956   29.763  10.938  31.163  7.7075  -1.400713      13.38114 
1 1 1 -7  -46 56 o 37.511  6.0593  188.389    53.270   281.161    108.402  158.854    61.165   42.335  10.582  33.460  7.6945  8.875767       13.08361 
1 1 1 -7  -46 57 o 17.108  6.8482  25.401     43.121   108.474    99.221   6.0573     47.880   27.659  10.585  15.939  6.8563  11.71958       12.61117 
1 1 1 -7  -46 58 f 47.158  7.5301  309.926    83.265   355.463    182.531  297.960    93.568   42.309  14.620  45.138  8.8596  -2.828472      17.09532 
1 1 1 -7  -46 59 o 39.167  8.5059  224.089    78.520   630.261    182.524  131.851    86.980   60.721  12.792  29.314  10.095  31.40685       16.29564 
1 1 1 -7  -46 60 o 31.638  9.2450  153.289    75.429   473.153    189.322  92.934     82.238   48.468  14.766  25.687  9.6824  22.78092       17.65776 
1 1 1 -7  -46 61 o 17.479  7.6965  3.3967     63.381   -2.1591    179.697  4.1860     67.734   25.193  11.787  18.002  7.9402  7.190844       14.21213 
1 1 1 -7  -45 1  f 51.054  5.8983  343.695    71.722   336.213    104.991  350.241    98.209   47.758  9.3950  49.583  8.4672  -1.824772      12.64748 
1 1 1 -7  -45 2  o 20.975  7.7310  53.294     51.859   1.7191     70.064   115.781    77.122   18.468  8.1129  28.239  9.5088  -9.771965      12.49950 
1 1 1 -7  -45 3  o 26.158  7.9531  95.784     54.960   64.041     75.384   131.802    80.299   23.542  9.1675  29.931  9.6884  -6.389532      13.33825 
1 1 1 -7  -45 4  o 42.501  6.3954  240.299    63.909   259.274    91.328   222.092    89.461   42.354  9.1538  38.833  9.5588  3.521526       13.23494 
1 1 1 -7  -45 5  o 20.328  7.6658  46.084     51.563   127.340    73.735   -31.6788   72.133   29.760  9.2414  16.991  7.7777  12.76921       12.07869 
1 1 1 -7  -45 6  o 23.718  7.7450  75.036     51.262   132.376    76.791   28.944     68.849   30.351  9.4319  20.441  8.4730  9.910152       12.67882 
1 1 1 -7  -45 7  o 61.006  4.9472  472.904    72.600   523.408    110.628  434.700    96.218   62.502  7.4410  57.151  7.0908  5.350491       10.27852 
1 1 1 -7  -45 8  o 12.511  5.8709  -41.0919   45.147   -7.7947    67.217   -68.4586   60.938   17.830  7.8848  13.809  6.5802  4.021492       10.26982 
1 1 1 -7  -45 9  o 54.743  5.2790  382.352    69.250   370.760    105.488  391.131    91.802   51.846  8.6931  54.313  7.1390  -2.466774      11.24884 
1 1 1 -7  -45 10 o 86.973  4.4684  947.362    93.979   910.339    139.950  977.769    126.829  83.407  6.9794  87.259  6.0272  -3.851166      9.221666 
1 1 1 -7  -45 11 o 26.905  7.7408  98.125     53.250   120.031    81.295   81.662     70.474   29.534  9.7587  25.449  9.0617  4.084820       13.31715 
1 1 1 -7  -45 12 o 19.727  7.3137  42.316     46.543   -19.1964   72.510   85.421     60.699   17.965  8.0509  25.505  8.4326  -7.540148      11.65876 
1 1 1 -7  -45 13 o 32.269  7.0106  139.197    53.322   132.145    78.096   145.356    72.982   30.854  9.4991  32.332  8.9816  -1.478001      13.07296 
1 1 1 -7  -45 14 o 53.741  5.1063  365.306    65.784   394.918    95.478   338.544    90.766   54.742  7.3760  50.479  7.6503  4.263309       10.62695 
1 1 1 -7  -45 15 f 19.677  7.5538  37.698     50.634   35.509     70.462   40.036     72.810   21.480  8.6988  22.063  8.8750  -0.5834541     12.42720 
1 1 1 -7  -45 16 f 64.658  4.8960  525.231    76.243   598.954    108.941  454.456    106.740  68.101  6.6787  58.674  7.6821  9.427708       10.17939 
1 1 1 -7  -45 17 o 87.755  4.4656  959.671    94.772   874.354    134.871  1042.89    133.202  82.324  6.8132  90.471  6.1035  -8.147575      9.147266 
1 1 1 -7  -45 18 o 34.627  9.3760  166.652    80.713   166.652    80.713   0.0000     0.0000   34.627  9.3760  ?       ?       0.000000       9.376046 
1 1 1 -7  -45 19 o 24.727  9.0044  72.055     70.047   72.055     70.047   0.0000     0.0000   24.727  9.0044  ?       ?       0.000000       9.004367 
1 1 1 -7  -45 20 o 25.809  7.7711  88.166     52.661   83.582     72.477   93.292     76.645   25.988  9.1964  27.119  9.4682  -1.130327      13.19928 
1 1 1 -7  -45 21 o 56.922  4.4182  404.398    60.545   382.694    93.975   419.801    79.164   54.066  7.3543  57.457  5.7557  -3.391300      9.338864 
1 1 1 -7  -45 22 o 38.468  6.3319  192.142    57.044   253.467    82.458   135.853    78.999   43.500  8.1106  31.479  9.5271  12.02136       12.51188 
1 1 1 -7  -45 23 f 35.674  7.7653  170.682    65.308   165.598    162.336  171.664    71.336   35.424  13.543  35.539  8.4044  -0.1154709     15.93876 
1 1 1 -7  -45 24 o 12.298  5.8672  -60.1365   48.745   178.989    145.280  -90.4717   51.745   35.899  12.984  11.567  5.6439  24.33224       14.15734 
1 1 1 -7  -45 25 o 67.193  6.1416  575.706    99.024   696.920    187.914  529.107    116.513  70.161  11.432  63.520  7.7182  6.641006       13.79349 
1 1 1 -7  -45 26 o 119.797 6.1368  1820.92    177.785  1959.34    291.151  1738.62    224.499  119.936 10.099  115.224 8.0810  4.712265       12.93386 
1 1 1 -7  -45 27 o 56.541  6.5787  411.775    88.567   580.766    181.738  359.140    101.427  63.256  12.284  51.869  8.3418  11.38740       14.84827 
1 1 1 -7  -45 28 o 43.036  8.3325  249.165    83.866   0.0000     0.0000   249.165    83.866   ?       ?       43.036  8.3325  0.000000       8.332493 
1 1 1 -7  -45 29 o 30.428  8.9436  125.877    70.408   0.0000     0.0000   125.877    70.408   ?       ?       30.428  8.9436  0.000000       8.943622 
1 1 1 -7  -45 30 o 41.858  6.6209  227.932    65.008   0.0000     0.0000   227.932    65.008   ?       ?       41.858  6.6209  0.000000       6.620870 
1 1 1 -7  -45 31 o 51.351  4.6321  330.387    57.094   368.949    89.642   304.067    74.059   53.206  7.1224  48.536  6.4481  4.669415       9.607630 
1 1 1 -7  -45 32 o 13.586  5.8846  -2.5028    35.763   -114.5087  50.232   112.631    50.928   10.500  5.2061  29.038  7.2504  -18.53824      8.925882 
1 1 1 -7  -45 33 o 32.529  5.8423  137.138    44.417   145.162    63.196   129.305    62.441   32.755  8.0166  30.878  8.1972  1.876659       11.46556 
1 1 1 -7  -45 34 o 43.034  4.9936  234.192    51.172   243.041    74.197   226.165    70.670   42.874  7.3997  41.366  7.3081  1.507961       10.40019 
1 1 1 -7  -45 35 o 82.258  4.0838  837.572    81.508   892.097    117.201  786.499    113.431  83.877  5.7942  78.617  5.9915  5.260529       8.334912 
1 1 1 -7  -45 36 o 57.571  4.4803  414.385    62.093   471.284    88.838   360.037    86.823   60.673  6.1180  52.540  6.9836  8.133266       9.284396 
1 1 1 -7  -45 37 f 21.167  7.0428  55.877     42.315   124.882    61.708   -5.3715    58.136   30.291  8.1966  16.967  7.4235  13.32371       11.05855 
1 1 1 -7  -45 38 o 47.517  6.8380  295.139    76.569   326.138    96.354   242.016    126.136  49.165  8.3773  40.352  11.999  8.813587       14.63437 
1 1 1 -7  -45 39 o 30.953  8.3590  131.331    64.254   116.287    79.130   160.449    110.089  29.290  9.6255  33.661  11.361  -4.370764      14.89012 
1 1 1 -7  -45 40 o 26.630  8.3976  94.947     60.629   159.741    74.089   -36.4057   105.488  33.887  8.8972  20.878  9.4987  13.00917       13.01477 
1 1 1 -7  -45 41 o 17.204  7.2843  9.0859     52.558   79.571     62.550   -160.1990  96.936   24.918  8.5616  15.676  7.6653  9.241617       11.49163 
1 1 1 -7  -45 42 o 79.442  3.7411  781.227    72.114   794.863    117.095  772.895    91.531   78.580  6.1915  78.361  4.8376  0.2194214      7.857307 
1 1 1 -7  -45 43 o 56.821  3.9578  402.750    54.226   470.757    93.315   368.076    66.631   60.121  6.5003  53.789  5.1689  6.331985       8.304883 
1 1 1 -7  -45 44 o 24.115  6.1071  77.434     35.772   70.543     68.239   80.045     42.006   24.129  8.8721  24.416  6.8252  -0.2870693     11.19366 
1 1 1 -7  -45 45 o 58.259  3.9357  423.963    55.309   436.396    96.257   417.835    67.578   57.357  7.0658  57.386  4.9003  -0.2889252E-01 8.598763 
1 1 1 -7  -45 46 o 19.940  6.2061  51.690     33.232   15.841     64.401   64.700     38.796   19.039  8.0624  22.076  6.6754  -3.037275      10.46721 
1 1 1 -7  -45 47 o 13.024  5.5513  2.5937     30.875   48.565     61.792   -12.7028   35.644   21.449  8.3146  12.557  5.6346  8.892476       10.04398 
1 1 1 -7  -45 48 o 39.004  4.7462  194.678    43.992   74.563     82.178   242.924    52.083   24.961  9.6128  43.495  5.0277  -18.53442      10.84824 
1 1 1 -7  -45 49 o 34.839  5.8393  160.272    47.614   125.632    78.760   180.225    59.774   29.442  9.5994  36.378  7.0263  -6.935139      11.89617 
1 1 1 -7  -45 50 o 26.088  7.2806  94.356     47.840   247.229    93.982   40.893     55.579   40.854  9.6369  20.049  7.8539  20.80550       12.43194 
1 1 1 -7  -45 51 o 51.822  4.9963  345.357    62.047   445.515    112.850  301.961    74.282   56.120  8.5583  47.433  6.6358  8.686501       10.82947 
1 1 1 -7  -45 52 o 37.281  5.9791  184.905    52.259   263.824    102.074  156.872    60.836   41.559  10.199  33.373  7.6731  8.185970       12.76277 
1 1 1 -7  -45 53 o 21.015  8.3761  44.853     64.230   180.281    125.423  -3.2895    74.780   33.268  12.059  18.639  8.2759  14.62878       14.62564 
1 1 1 -7  -45 54 o 22.605  8.2632  65.282     59.069   -61.0243   117.359  108.136    68.360   20.215  9.4796  27.360  8.9443  -7.144915      13.03320 
1 1 1 -7  -45 55 o 14.800  6.8240  -31.2184   56.917   -29.4730   118.131  -31.7460   64.954   21.424  9.8609  15.890  7.3130  5.534524       12.27663 
1 1 1 -7  -45 56 o 27.684  7.1692  107.036    48.540   98.993     102.247  109.376    55.151   27.220  10.655  27.740  7.8439  -0.5198383     13.23125 
1 1 1 -7  -45 57 f 30.827  6.9114  131.187    50.419   145.512    106.497  127.048    57.241   30.806  11.120  29.904  7.8055  0.9025116      13.58629 
1 1 1 -7  -45 58 o 49.616  5.1366  318.511    60.943   261.120    122.955  337.202    70.169   39.723  11.855  50.633  5.8171  -10.90967      13.20538 
1 1 1 -7  -45 59 o 29.015  9.0524  124.062    70.657   -82.9849   165.562  170.168    78.129   23.042  10.941  33.710  9.2652  -10.66825      14.33727 
1 1 1 -7  -45 60 o 22.278  8.9074  54.026     72.863   100.913    182.649  45.152     79.460   29.518  13.028  22.061  9.1201  7.457214       15.90314 
1 1 1 -7  -45 61 o 23.889  8.8608  76.522     68.331   -214.6160  187.171  121.292    73.397   21.225  10.434  28.407  9.2671  -7.182449      13.95543 
1 1 1 -7  -44 1  o 41.230  6.2700  225.451    60.749   247.346    82.143   199.019    90.253   41.923  8.3683  36.517  9.9259  5.405975       12.98271 
1 1 1 -7  -44 2  o 34.505  7.1161  162.242    57.600   205.827    80.257   115.945    82.716   37.938  8.8763  28.656  9.8456  9.281826       13.25609 
1 1 1 -7  -44 3  o 28.998  7.7022  116.472    55.109   65.378     76.446   171.756    79.518   23.996  9.2630  34.488  9.2929  -10.49216      13.12105 
1 1 1 -7  -44 4  o 26.476  7.9027  96.075     54.634   163.071    77.155   28.696     77.375   33.761  9.1776  21.327  8.9230  12.43382       12.80037 
1 1 1 -7  -44 5  o 25.368  7.5768  87.048     50.210   156.068    68.215   5.4409     74.174   33.433  8.4150  19.513  8.4631  13.92032       11.93473 
1 1 1 -7  -44 6  o 35.088  7.2700  166.076    59.861   167.164    85.610   165.036    83.733   34.132  9.8135  33.964  9.6865  0.1681099      13.78885 
1 1 1 -7  -44 7  f 25.407  8.0163  86.090     55.242   29.379     86.006   125.918    72.075   22.369  9.3863  30.102  9.0977  -7.732397      13.07179 
1 1 1 -7  -44 8  o 23.544  7.8171  71.236     52.141   61.556     76.769   79.526     71.041   24.058  9.2839  25.330  9.0897  -1.271753      12.99282 
1 1 1 -7  -44 9  o 65.780  4.7127  542.907    74.721   643.298    112.311  463.185    100.085  70.528  6.6411  59.517  7.0687  11.01159       9.699023 
1 1 1 -7  -44 10 o 51.472  5.1986  335.527    64.037   374.628    96.898   305.208    85.326   53.143  7.7420  47.966  7.5834  5.176842       10.83726 
1 1 1 -7  -44 11 o 65.585  4.6442  538.264    73.428   545.474    111.335  532.714    97.686   64.673  7.2180  64.418  6.3316  0.2553101      9.601441 
1 1 1 -7  -44 12 o 84.300  4.3605  884.148    88.886   921.959    131.844  852.642    120.350  84.858  6.4516  81.813  6.1066  3.044754       8.883336 
1 1 1 -7  -44 13 o 46.497  5.5045  274.991    60.897   343.738    89.172   214.909    83.363   51.181  7.3949  39.617  8.8906  11.56424       11.56406 
1 1 1 -7  -44 14 o 23.409  7.6000  69.893     49.387   72.428     68.710   67.182     71.037   24.728  8.9313  24.378  9.0360  0.3495827      12.70501 
1 1 1 -7  -44 15 o 46.661  5.5554  276.790    61.662   245.929    85.529   310.192    88.979   42.669  8.5589  48.414  7.8427  -5.745457      11.60877 
1 1 1 -7  -44 16 f 13.087  6.0653  -35.3304   45.833   50.056     61.754   -140.0399  68.386   22.075  8.3735  12.614  6.2216  9.460483       10.43190 
1 1 1 -7  -44 17 o 54.490  7.4735  388.009    96.208   388.009    96.208   0.0000     0.0000   54.490  7.4735  ?       ?       0.000000       7.473538 
1 1 1 -7  -44 18 o 30.842  9.0289  128.920    71.886   128.920    71.886   0.0000     0.0000   30.842  9.0289  ?       ?       0.000000       9.028889 
1 1 1 -7  -44 19 o 32.427  8.9049  143.115    72.206   135.806    161.588  144.938    80.713   33.959  13.364  32.547  9.5783  1.411812       16.44221 
1 1 1 -7  -44 20 o 64.799  5.1954  527.196    81.000   554.576    199.479  521.790    88.636   60.809  13.832  64.224  5.7487  -3.414772      14.97873 
1 1 1 -7  -44 21 f 68.546  4.1780  582.662    69.158   587.141    105.479  579.285    91.593   67.794  6.4916  67.759  5.6217  0.3443909E-01  8.587464 
1 1 1 -7  -44 22 o 22.047  6.8488  62.097     40.494   81.022     69.792   52.493     49.718   25.734  9.0321  21.363  7.6107  4.371258       11.81111 
1 1 1 -7  -44 23 o 41.724  5.1308  220.023    50.849   268.007    82.770   190.933    64.445   45.021  7.8630  38.090  7.2375  6.930927       10.68682 
1 1 1 -7  -44 24 o 26.736  6.3380  93.787     40.490   38.042     71.025   120.627    49.283   21.934  8.7857  30.236  6.8733  -8.301615      11.15489 
1 1 1 -7  -44 25 o 71.126  4.1812  627.036    71.842   725.273    109.021  551.634    95.513   75.700  5.9842  65.938  6.0368  9.761879       8.500229 
1 1 1 -7  -44 26 o 69.783  4.7585  607.398    80.091   728.666    108.006  459.248    119.378  75.918  5.9098  58.804  8.6229  17.11379       10.45374 
1 1 1 -7  -44 27 f 26.794  8.4768  93.757     61.740   0.0000     0.0000   93.757     61.740   ?       ?       26.794  8.4768  0.000000       8.476831 
1 1 1 -7  -44 28 o 29.250  8.5752  114.549    64.802   0.0000     0.0000   114.549    64.802   ?       ?       29.250  8.5752  0.000000       8.575228 
1 1 1 -7  -44 29 o 19.082  7.6001  27.950     52.844   0.0000     0.0000   27.950     52.844   ?       ?       19.082  7.6001  0.000000       7.600139 
1 1 1 -7  -44 30 o 62.942  6.2374  504.584    94.005   609.609    182.321  466.553    109.714  65.534  11.904  59.748  7.7505  5.785900       14.20505 
1 1 1 -7  -44 31 o 60.655  5.7833  465.859    84.084   424.958    139.581  489.157    105.344  55.188  10.810  61.484  7.1975  -6.296249      12.98722 
1 1 1 -7  -44 32 o 28.944  7.5611  111.702    53.684   -7.6328    97.130   164.189    64.417   21.679  9.5374  35.065  7.7751  -13.38531      12.30507 
1 1 1 -7  -44 33 o 16.275  6.1419  25.396     33.116   42.159     49.261   11.575     44.732   20.138  7.5128  16.436  6.8227  3.701830       10.14844 
1 1 1 -7  -44 34 o 53.342  4.4338  354.812    56.867   332.376    80.643   377.003    80.202   50.743  6.7148  54.320  6.1959  -3.576916      9.136586 
1 1 1 -7  -44 35 f 23.022  6.7555  68.967     40.200   69.656     56.194   68.245     57.534   23.754  8.1162  23.672  8.2067  0.8277702E-01  11.54223 
1 1 1 -7  -44 36 o 37.761  5.5584  182.303    49.405   108.041    71.806   249.059    68.080   28.552  9.1534  43.844  6.6045  -15.29209      11.28732 
1 1 1 -7  -44 37 f 24.319  6.8887  77.756     42.498   41.294     62.147   109.783    58.245   21.280  8.3136  28.604  8.0514  -7.323956      11.57326 
1 1 1 -7  -44 38 o 43.932  5.0790  243.993    53.143   265.013    77.621   225.446    72.910   44.870  7.3866  41.236  7.5659  3.634174       10.57381 
1 1 1 -7  -44 39 o 83.469  4.1413  862.320    83.874   902.372    121.689  826.074    115.765  84.297  5.9884  80.656  5.9574  3.640160       8.447014 
1 1 1 -7  -44 40 o 61.592  6.4207  487.486    94.544   494.341    122.279  477.296    149.078  60.791  8.5243  58.019  10.992  2.771538       13.91000 
1 1 1 -7  -44 41 o 41.183  5.4156  216.472    52.804   242.104    95.652   205.236    63.328   41.621  9.6580  39.519  6.8527  2.101837       11.84210 
1 1 1 -7  -44 42 o 66.843  4.8536  561.120    78.182   612.997    128.287  530.469    98.610   68.047  7.9178  64.178  6.4185  3.869171       10.19262 
1 1 1 -7  -44 43 o 35.749  5.9429  166.023    49.740   262.741    88.205   120.926    60.230   43.841  8.5991  29.768  8.1157  14.07292       11.82410 
1 1 1 -7  -44 44 o 24.166  6.1149  77.306     35.885   159.284    67.487   44.991     42.372   34.036  8.2562  19.683  7.0246  14.35311       10.84019 
1 1 1 -7  -44 45 o 26.313  5.7696  91.150     35.822   41.326     66.823   111.241    42.434   21.479  8.5491  28.982  6.2203  -7.502909      10.57256 
1 1 1 -7  -44 46 o 13.758  5.6549  9.6926     30.320   28.382     61.023   3.5665     34.937   19.767  8.0617  13.927  5.9199  5.840403       10.00181 
1 1 1 -7  -44 47 o 29.827  5.4834  116.156    38.223   124.412    71.593   112.865    45.204   29.765  9.0832  29.006  6.5747  0.7595711      11.21300 
1 1 1 -7  -44 48 o 31.402  5.4389  128.557    39.940   30.659     74.566   167.946    47.297   21.198  8.8049  35.918  5.6105  -14.71953      10.44049 
1 1 1 -7  -44 49 o 37.358  4.8056  178.611    42.551   177.979    82.257   178.841    49.720   35.018  9.4582  36.997  5.7234  -1.978153      11.05511 
1 1 1 -7  -44 50 o 30.669  6.5898  127.010    47.578   152.234    79.571   112.974    59.357   32.308  9.5110  28.380  8.1749  3.928268       12.54147 
1 1 1 -7  -44 51 o 60.530  4.5912  464.608    66.930   531.573    120.983  435.075    80.344   61.977  8.2500  57.829  5.8042  4.148647       10.08715 
1 1 1 -7  -44 52 f 55.910  4.6835  398.033    62.951   325.641    115.962  428.281    74.958   46.333  10.551  57.551  5.4321  -11.21847      11.86731 
1 1 1 -7  -44 53 o 36.877  6.1152  181.070    52.801   277.467    101.738  145.533    61.772   43.073  9.9369  32.051  7.9751  11.02140       12.74144 
1 1 1 -7  -44 54 o 49.097  7.5646  331.707    87.223   421.814    157.239  291.656    104.831  50.131  12.863  44.048  10.033  6.082905       16.31298 
1 1 1 -7  -44 55 o 20.204  7.9137  42.230     56.425   -150.5319  123.629  92.948     63.415   18.253  8.8651  25.794  8.6229  -7.541153      12.36704 
1 1 1 -7  -44 56 o 55.198  6.9970  411.487    91.608   337.245    166.698  443.610    109.649  43.146  13.959  56.251  8.2814  -13.10545      16.23037 
1 1 1 -7  -44 57 o 18.450  7.2377  33.027     47.253   66.052     99.890   23.506     53.634   25.056  10.277  18.233  7.5107  6.823376       12.72923 
1 1 1 -7  -44 58 o 24.917  7.5208  86.000     49.278   65.773     108.568  91.248     55.303   25.527  10.615  25.570  8.0137  -0.4369545E-01 13.30063 
1 1 1 -7  -44 59 o 45.065  8.0349  284.530    84.638   220.624    199.382  298.577    93.478   35.536  14.541  45.628  8.7618  -10.09272      16.97701 
1 1 1 -7  -44 60 o 38.141  8.8932  212.494    80.788   242.214    199.126  206.638    88.389   36.289  14.649  36.997  9.7200  -0.7082024     17.58029 
1 1 1 -7  -44 61 o 25.975  9.1757  95.005     72.120   75.594     194.429  98.101     77.661   29.146  13.113  26.375  9.4996  2.771492       16.19224 
1 1 1 -7  -44 62 o 20.970  8.7310  37.075     73.571   164.454    192.968  15.410     79.582   31.963  13.757  20.052  8.7316  11.91132       16.29388 
1 1 1 -7  -43 1  o 45.576  5.8112  269.446    62.801   277.323    88.643   261.509    88.987   44.722  8.4792  43.201  8.7883  1.520241       12.21193 
1 1 1 -7  -43 2  o 15.030  6.6542  -9.5025    48.012   -58.0476   64.668   50.121     71.668   14.842  6.9842  22.545  8.8914  -7.703806      11.30643 
1 1 1 -7  -43 3  o 25.139  7.6817  84.723     51.181   57.117     70.362   115.741    74.583   23.111  8.8965  28.970  9.3330  -5.859571      12.89390 
1 1 1 -7  -43 4  o 61.371  4.9291  475.296    72.780   541.294    105.425  415.204    100.597  64.407  6.8512  55.873  7.6188  8.533333       10.24625 
1 1 1 -7  -43 5  f 54.022  5.2544  370.205    68.003   381.053    96.283   359.408    96.058   53.589  7.6194  51.872  7.8799  1.717274       10.96121 
1 1 1 -7  -43 6  o 38.622  6.8115  196.346    61.499   167.842    88.015   223.538    85.966   34.502  9.9593  40.213  9.0313  -5.711002      13.44442 
1 1 1 -7  -43 7  o 58.318  5.0316  428.287    70.501   509.139    106.237  364.660    94.244   62.529  7.1297  52.559  7.6115  9.969326       10.42915 
1 1 1 -7  -43 8  o 50.361  5.2062  320.613    62.700   284.754    94.867   348.425    83.549   45.758  8.8647  51.816  6.8103  -6.057793      11.17868 
1 1 1 -7  -43 9  o 22.919  7.6210  65.912     49.550   93.088     74.881   44.743     66.089   27.075  9.3639  21.949  8.5736  5.126738       12.69607 
1 1 1 -7  -43 10 o 84.925  4.3600  895.771    89.541   1020.12    133.606  794.381    120.643  89.617  6.1821  78.937  6.3526  10.68037       8.864156 
1 1 1 -7  -43 11 o 16.498  6.8810  10.563     45.811   119.084    70.538   -68.5980   60.245   29.752  9.0020  13.868  6.5897  15.88393       11.15620 
1 1 1 -7  -43 12 o 94.027  4.2582  1093.38    97.151   1088.60    144.206  1097.36    131.462  92.486  6.4667  93.260  5.8390  -0.7734070     8.712749 
1 1 1 -7  -43 13 o 66.649  4.5579  553.056    73.268   529.845    106.724  573.747    100.765  64.153  6.9682  67.149  6.2566  -2.995857      9.364850 
1 1 1 -7  -43 14 o 30.108  7.3486  120.421    53.214   44.191     74.145   201.398    76.418   22.747  9.0205  38.719  8.3774  -15.97277      12.31058 
1 1 1 -7  -43 15 o 18.352  7.3196  25.028     49.077   -14.2508   65.811   74.236     73.662   17.586  7.7880  25.344  9.2331  -7.758341      12.07906 
1 1 1 -7  -43 16 o 62.981  6.6224  507.223    99.686   507.223    99.686   0.0000     0.0000   62.981  6.6224  ?       ?       0.000000       6.622402 
1 1 1 -7  -43 17 o 28.665  9.1756  107.813    72.175   107.813    72.175   0.0000     0.0000   28.665  9.1756  ?       ?       0.000000       9.175585 
1 1 1 -7  -43 18 o 70.694  4.5209  620.904    77.141   595.246    109.135  646.525    109.054  68.279  6.6727  71.338  6.3672  -3.058517      9.223111 
1 1 1 -7  -43 19 o 19.076  6.8258  40.433     40.033   79.857     69.605   20.946     48.937   25.690  9.0199  17.960  7.2578  7.729599       11.57729 
1 1 1 -7  -43 20 o 116.237 4.1564  1666.59    117.226  1772.72    172.177  1574.88    160.052  118.694 5.9978  111.914 5.9150  6.779839       8.423851 
1 1 1 -7  -43 21 o 62.078  4.2657  477.809    63.863   476.929    97.440   478.471    84.555   61.087  6.6829  61.599  5.7226  -0.5124626     8.798276 
1 1 1 -7  -43 22 o 69.998  4.1407  606.151    70.015   681.532    106.311  548.412    93.042   73.473  6.0160  65.921  5.8786  7.552711       8.411313 
1 1 1 -7  -43 23 f 26.560  6.4435  92.330     41.101   85.729     67.913   96.145     51.629   26.235  8.9227  27.012  7.5723  -0.7770462     11.70273 
1 1 1 -7  -43 24 o 17.371  6.4279  30.684     35.918   68.976     62.271   11.592     43.970   24.163  8.5272  16.371  6.7774  7.791504       10.89244 
1 1 1 -7  -43 25 o 11.387  5.2022  -20.0996   32.059   -44.5690   63.353   -11.6767   37.170   15.547  7.1791  13.120  5.8294  2.427240       9.247773 
1 1 1 -7  -43 26 f 19.652  7.4064  38.202     48.115   0.0000     0.0000   38.202     48.115   ?       ?       19.652  7.4064  0.000000       7.406408 
1 1 1 -7  -43 27 o 18.781  7.0297  35.236     43.202   0.0000     0.0000   35.236     43.202   ?       ?       18.781  7.0297  0.000000       7.029743 
1 1 1 -7  -43 28 o 70.122  5.4889  616.987    92.646   0.0000     0.0000   616.987    92.646   ?       ?       70.122  5.4889  0.000000       5.488918 
1 1 1 -7  -43 29 o 54.888  6.3573  383.980    83.100   458.454    161.658  357.233    96.880   56.850  12.091  52.260  7.8854  4.590240       14.43529 
1 1 1 -7  -43 30 o 110.335 5.7616  1527.65    153.713  1518.44    240.075  1534.06    200.107  107.191 9.3234  109.245 7.5964  -2.054504      12.02620 
1 1 1 -7  -43 31 o 27.981  7.6111  103.653    53.043   141.929    94.386   85.984     64.128   32.521  10.502  26.076  8.6698  6.444859       13.61793 
1 1 1 -7  -43 32 o 55.494  5.8212  389.699    77.217   379.243    127.551  395.747    97.013   52.532  10.375  55.238  7.4263  -2.706356      12.75891 
1 1 1 -7  -43 33 o 24.205  7.7034  74.763     50.930   82.514     95.720   71.703     60.151   27.483  10.425  24.297  8.3931  3.186195       13.38375 
1 1 1 -7  -43 34 o 60.106  5.8079  456.682    83.648   464.353    135.277  451.934    106.436  58.521  9.8785  58.961  7.6179  -0.4397850     12.47468 
1 1 1 -7  -43 35 o 24.751  6.3014  80.156     37.942   10.616     54.659   144.831    52.712   17.812  7.4788  33.259  6.7623  -15.44663      10.08270 
1 1 1 -7  -43 36 o 43.690  4.9699  240.155    51.748   232.630    75.719   246.749    70.885   41.989  7.7164  43.593  6.9337  -1.604511      10.37396 
1 1 1 -7  -43 37 o 70.647  4.1469  618.170    70.774   573.208    102.094  659.766    98.199   67.105  6.3455  72.378  5.6360  -5.273369      8.487051 
1 1 1 -7  -43 38 o 83.048  4.0757  851.221    82.129   799.235    117.140  901.481    115.179  79.419  6.1261  84.641  5.6406  -5.221184      8.327396 
1 1 1 -7  -43 39 o 28.923  6.4134  109.711    43.829   170.786    62.842   51.864     61.159   35.893  7.4593  22.241  8.3564  13.65181       11.20136 
1 1 1 -7  -43 40 o 61.285  3.4944  463.141    51.747   523.390    93.848   436.820    62.029   64.143  6.1035  59.251  4.3449  4.891678       7.492057 
1 1 1 -7  -43 41 o 30.243  6.3840  119.922    45.376   157.255    79.856   102.121    55.143   33.800  9.3971  27.663  7.8507  6.136673       12.24500 
1 1 1 -7  -43 42 o 51.617  5.0635  335.632    62.600   390.928    105.751  305.803    77.671   54.181  8.3092  48.548  6.7785  5.632439       10.72335 
1 1 1 -7  -43 43 o 49.513  5.0406  309.263    59.712   445.913    104.623  243.246    72.720   58.282  7.5776  42.980  7.2298  15.30202       10.47326 
1 1 1 -7  -43 44 o 22.541  6.9477  65.868     41.764   38.622     77.867   76.872     49.484   22.463  9.1277  24.256  7.5769  -1.792883      11.86272 
1 1 1 -7  -43 45 f 57.935  3.9347  417.169    54.983   362.299    93.492   446.182    67.983   52.313  7.5869  59.611  4.7393  -7.298187      8.945457 
1 1 1 -7  -43 46 o 54.493  3.9751  369.812    52.197   431.830    91.076   339.478    63.696   57.653  6.6314  51.749  5.1408  5.903122       8.390656 
1 1 1 -7  -43 47 o 20.491  6.2974  54.294     34.340   24.825     66.393   65.057     40.124   20.120  8.3287  22.285  6.7998  -2.164730      10.75198 
1 1 1 -7  -43 48 o 24.036  6.0271  76.646     35.087   90.777     68.561   71.632     40.840   26.237  8.9649  23.223  6.8074  3.013689       11.25658 
1 1 1 -7  -43 49 o 53.793  4.1235  362.374    53.412   397.366    94.465   345.930    64.757   54.624  7.3106  52.081  5.1937  2.543594       8.967650 
1 1 1 -7  -43 50 o 25.756  6.2162  88.736     38.404   88.649     74.282   88.767     44.865   26.068  9.3011  25.591  7.0159  0.4768524      11.65045 
1 1 1 -7  -43 51 o 73.743  4.0932  680.739    72.952   709.724    120.364  663.909    91.718   73.333  6.8435  72.094  5.2799  1.239670       8.643528 
1 1 1 -7  -43 52 o 62.458  4.4865  492.726    67.539   524.269    117.993  477.355    82.367   61.876  8.0498  60.779  5.6498  1.096233       9.834558 
1 1 1 -7  -43 53 o 30.504  6.7793  126.637    48.875   30.816     97.769   158.561    56.433   22.975  9.8376  34.084  7.0560  -11.10955      12.10646 
1 1 1 -7  -43 54 o 49.533  5.0864  315.289    60.264   260.448    114.635  336.234    70.843   40.791  11.228  50.715  5.8653  -9.923737      12.66749 
1 1 1 -7  -43 55 o 58.739  6.9916  463.204    97.690   597.028    171.924  399.394    118.717  61.672  11.920  52.276  9.7170  9.395313       15.37908 
1 1 1 -7  -43 56 o 64.914  6.8059  562.270    105.604  418.791    182.383  634.636    129.525  48.138  14.455  67.848  8.0231  -19.71004      16.53225 
1 1 1 -7  -43 57 o 20.317  7.5837  47.592     50.209   104.556    105.647  30.972     57.065   28.056  10.873  19.302  7.8244  8.753929       13.39560 
1 1 1 -7  -43 58 o 20.106  7.3290  48.114     46.423   98.061     104.014  35.690     51.876   27.575  10.760  19.238  7.5718  8.337048       13.15726 
1 1 1 -7  -43 59 o 34.167  6.6108  157.710    52.824   189.373    114.200  149.091    59.581   34.662  11.572  32.680  7.6492  1.982716       13.87120 
1 1 1 -7  -43 60 o 18.580  8.1834  -0.5038    71.693   183.908    183.588  -33.6859   77.876   34.043  13.945  17.507  8.0388  16.53529       16.09579 
1 1 1 -7  -43 61 o 36.861  8.9277  198.224    79.002   -262.8602  201.538  281.937    85.874   21.780  10.730  44.720  8.2168  -22.93978      13.51512 
1 1 1 -7  -43 62 o 17.902  7.8866  -0.1432    66.632   85.491     191.077  -11.9983   71.095   29.515  13.159  17.713  7.9526  11.80152       15.37553 
1 1 1 -7  -42 1  o 38.089  6.3527  190.064    56.643   150.506    77.859   234.541    82.559   32.724  9.3433  41.318  8.5180  -8.594032      12.64327 
1 1 1 -7  -42 2  o 56.559  5.0915  404.364    69.125   436.288    98.538   373.432    96.994   57.660  7.2001  52.964  7.7792  4.695648       10.59988 
1 1 1 -7  -42 3  o 76.070  4.6120  723.286    84.724   741.594    122.728  706.617    117.106  75.791  6.7441  74.074  6.5841  1.716698       9.425179 
1 1 1 -7  -42 4  o 47.785  5.5562  290.683    63.220   235.087    91.771   340.897    87.216   41.201  9.3891  51.012  7.2503  -9.811447      11.86259 
1 1 1 -7  -42 5  o 60.861  4.8983  464.501    71.722   424.099    102.010  503.997    100.861  56.875  7.5808  62.526  6.7555  -5.651394      10.15404 
1 1 1 -7  -42 6  o 50.757  5.6016  326.885    67.838   426.539    104.424  254.116    89.233   57.012  7.7494  43.314  8.7908  13.69786       11.71883 
1 1 1 -7  -42 7  o 36.658  6.6086  175.155    56.620   169.321    84.136   179.984    76.547   35.048  9.6074  36.378  8.7738  -1.330231      13.01081 
1 1 1 -7  -42 8  o 16.616  6.9236  10.828     46.313   -3.8426    68.490   23.187     62.865   18.591  8.0977  19.858  8.1500  -1.266685      11.48896 
1 1 1 -7  -42 9  f 54.159  4.9101  367.325    63.823   290.705    96.463   426.978    85.116   46.505  8.8724  57.934  6.1490  -11.42880      10.79485 
1 1 1 -7  -42 10 o 21.896  7.2670  59.117     45.062   17.891     71.747   85.974     57.909   20.512  8.5880  25.816  8.2141  -5.304285      11.88385 
1 1 1 -7  -42 11 o 91.741  4.2666  1039.29    94.974   1080.12    142.447  1006.61    127.432  92.329  6.3979  89.398  5.9080  2.930885       8.708475 
1 1 1 -7  -42 12 o 20.728  7.3121  49.407     45.784   104.458    71.207   10.608     59.779   28.320  9.1190  18.522  7.8014  9.798468       12.00071 
1 1 1 -7  -42 13 o 46.658  5.3341  274.453    59.303   258.325    83.028   291.249    84.732   44.238  8.0309  47.195  7.6620  -2.957005      11.09965 
1 1 1 -7  -42 14 o 67.912  5.0489  575.767    82.601   563.227    106.919  594.333    130.092  66.450  6.7237  67.562  8.0970  -1.111092      10.52474 
1 1 1 -7  -42 15 o 76.689  7.7135  758.699    141.585  758.699    141.585  0.0000     0.0000   76.689  7.7135  ?       ?       0.000000       7.713495 
1 1 1 -7  -42 16 o 30.915  9.0098  127.602    71.725   127.602    71.725   0.0000     0.0000   30.915  9.0098  ?       ?       0.000000       9.009771 
1 1 1 -7  -42 17 o 26.016  7.5390  88.359     50.347   91.409     69.766   85.044     72.728   26.973  9.0442  26.469  9.2241  0.5042324      12.91827 
1 1 1 -7  -42 18 o 54.043  4.6408  363.509    60.265   397.869    91.484   337.168    80.100   55.742  6.9123  51.385  6.5752  4.356888       9.540050 
1 1 1 -7  -42 19 o 117.307 4.1366  1694.16    117.743  1910.91    173.039  1507.28    160.675  123.739 5.7633  109.582 6.0665  14.15756       8.367712 
1 1 1 -7  -42 20 o 54.061  4.3777  362.608    56.932   366.984    90.738   359.766    73.113   53.423  7.1819  53.433  5.7286  -0.9555817E-02 9.186769 
1 1 1 -7  -42 21 o 66.743  4.1490  550.309    66.858   608.628    103.685  508.802    87.472   69.453  6.2185  63.649  5.7251  5.803783       8.452608 
1 1 1 -7  -42 22 o 30.832  6.1226  122.786    44.188   149.705    73.514   107.559    55.290   33.436  8.9030  28.577  7.7695  4.858988       11.81644 
1 1 1 -7  -42 23 o 17.747  6.5300  32.297     36.975   76.969     64.186   10.110     45.234   25.225  8.6726  16.470  6.8508  8.754725       11.05205 
1 1 1 -7  -42 24 o 37.140  5.4261  174.748    47.456   168.406    77.536   178.546    60.008   35.423  9.0022  37.096  6.9214  -1.672943      11.35542 
1 1 1 -7  -42 25 o 26.689  7.4927  93.103     50.511   0.0000     0.0000   93.103     50.511   ?       ?       26.689  7.4927  0.000000       7.492724 
1 1 1 -7  -42 26 o 18.569  7.1677  30.235     45.770   0.0000     0.0000   30.235     45.770   ?       ?       18.569  7.1677  0.000000       7.167665 
1 1 1 -7  -42 27 o 35.578  6.8222  164.295    56.750   0.0000     0.0000   164.295    56.750   ?       ?       35.578  6.8222  0.000000       6.822189 
1 1 1 -7  -42 28 o 64.057  4.9810  511.043    76.810   597.543    169.169  488.580    86.209   66.342  10.887  62.353  5.7633  3.988861       12.31828 
1 1 1 -7  -42 29 f 53.941  4.9340  363.076    63.863   309.085    124.226  382.471    74.455   47.278  11.031  55.145  5.6440  -7.866192      12.39079 
1 1 1 -7  -42 30 o 109.277 3.9803  1468.38    105.538  1472.23    150.590  1464.67    147.951  108.501 5.7405  108.271 5.6513  0.2298813      8.055473 
1 1 1 -7  -42 31 o 55.501  4.5237  382.709    60.390   341.843    77.807   444.630    95.775   51.853  6.3146  59.021  6.8129  -7.168442      9.289207 
1 1 1 -7  -42 32 o 16.811  6.8664  15.280     44.352   99.626     82.390   -19.1355   52.629   28.358  9.8214  15.356  6.8718  13.00217       11.98670 
1 1 1 -7  -42 33 o 30.334  7.7627  121.940    57.373   144.344    99.832   110.892    70.106   32.974  10.810  29.072  9.0083  3.902346       14.07174 
1 1 1 -7  -42 34 o 75.309  5.5147  710.387    100.070  653.273    159.024  747.831    128.760  70.033  9.6117  76.554  7.0096  -6.520859      11.89623 
1 1 1 -7  -42 35 o 58.310  5.7178  428.503    79.856   355.952    129.762  472.730    101.314  50.723  10.870  60.726  7.0043  -10.00373      12.93154 
1 1 1 -7  -42 36 o 36.760  6.2202  173.975    53.503   141.774    107.388  184.608    61.707   32.857  11.220  37.624  7.0175  -4.767002      13.23368 
1 1 1 -7  -42 37 o 17.777  6.2994  35.219     34.018   39.456     50.260   31.637     46.211   20.017  7.5635  18.722  7.2089  1.295677       10.44872 
1 1 1 -7  -42 38 o 84.206  4.0831  873.907    83.426   832.169    120.333  912.536    115.764  81.159  6.1564  85.282  5.6260  -4.122383      8.339862 
1 1 1 -7  -42 39 o 17.092  6.5883  25.753     38.628   0.2312     55.333   50.014     53.949   17.106  7.3645  21.492  7.8907  -4.385998      10.79351 
1 1 1 -7  -42 40 o 47.732  4.0418  282.765    46.371   354.295    78.412   244.297    57.503   52.707  6.2532  43.906  5.5197  8.801365       8.340876 
1 1 1 -7  -42 41 o 16.165  5.9462  26.822     30.657   -18.9531   56.934   45.512     36.381   15.998  7.1542  19.441  6.5310  -3.442646      9.686919 
1 1 1 -7  -42 42 o 30.241  6.1327  119.036    43.460   121.277    69.436   117.593    55.725   30.047  8.8956  29.688  7.6784  0.3593655      11.75113 
1 1 1 -7  -42 43 o 56.190  5.0412  396.358    68.001   506.977    117.527  340.688    83.374   62.158  7.9766  51.328  6.8666  10.83001       10.52502 
1 1 1 -7  -42 44 o 56.326  5.0452  398.669    68.222   367.549    116.019  415.117    84.346   51.858  9.5730  56.998  6.1987  -5.139748      11.40471 
1 1 1 -7  -42 45 o 64.177  5.0539  517.355    78.062   346.055    131.180  611.273    97.132   49.154  11.243  69.416  5.8206  -20.26235      12.66021 
1 1 1 -7  -42 46 o 76.307  3.7517  718.521    69.465   691.281    115.704  733.873    86.861   73.336  6.5720  76.623  4.6946  -3.287033      8.076545 
1 1 1 -7  -42 47 o 57.796  3.9968  415.382    55.706   380.489    95.765   433.226    68.485   53.662  7.5647  58.696  4.8521  -5.033844      8.987056 
1 1 1 -7  -42 48 f 34.853  4.9846  155.034    40.953   103.534    76.254   175.909    48.548   27.922  9.4550  36.946  5.5902  -9.024364      10.98395 
1 1 1 -7  -42 49 o 51.494  4.1417  331.488    51.311   343.990    92.267   325.891    61.739   50.700  7.7460  50.678  5.0896  0.2202225E-01  9.268439 
1 1 1 -7  -42 50 o 41.334  4.6373  216.328    45.707   201.779    84.013   222.445    54.474   37.771  9.2424  41.563  5.5395  -3.792191      10.77531 
1 1 1 -7  -42 51 o 39.438  4.8441  198.221    45.380   152.499    85.154   216.356    53.630   32.562  9.8994  40.936  5.5417  -8.374447      11.34497 
1 1 1 -7  -42 52 o 40.527  5.5982  212.832    53.580   294.795    105.796  184.558    62.138   45.113  9.9339  36.954  7.1888  8.159126       12.26215 
1 1 1 -7  -42 53 o 24.220  7.5005  79.182     48.610   72.326     95.934   81.550     56.384   25.686  10.237  24.660  8.1261  1.026070       13.07032 
1 1 1 -7  -42 54 o 48.049  5.1231  296.146    58.808   287.382    113.005  299.401    68.868   43.607  10.749  47.808  6.0739  -4.201733      12.34627 
1 1 1 -7  -42 55 o 55.551  4.7986  392.837    64.046   321.248    121.659  420.283    75.329   45.800  11.070  57.056  5.5098  -11.25520      12.36551 
1 1 1 -7  -42 56 o 21.243  8.4168  44.641     64.501   88.488     128.769  29.954     74.524   28.099  11.613  20.969  8.7637  7.129723       14.54832 
1 1 1 -7  -42 57 o 15.173  6.9489  -28.6303   57.669   -29.7759   121.441  -28.2967   65.529   22.039  10.090  16.294  7.4413  5.745729       12.53709 
1 1 1 -7  -42 58 o 19.056  7.2994  37.875     47.216   94.851     105.968  23.762     52.741   27.552  10.829  18.255  7.4754  9.297045       13.15854 
1 1 1 -7  -42 59 o 31.474  6.6734  134.065    49.383   194.524    107.848  118.025    55.548   35.486  11.201  29.091  7.7357  6.395184       13.61271 
1 1 1 -7  -42 60 o 31.896  6.8935  138.573    51.794   66.254     116.402  156.426    57.835   26.248  10.960  33.746  7.2772  -7.498550      13.15584 
1 1 1 -7  -42 61 o 30.667  9.7435  138.173    81.502   271.142    200.030  111.704    89.246   38.578  14.958  28.224  10.181  10.35329       18.09432 
1 1 1 -7  -42 62 o 34.200  9.2538  172.524    78.657   -35.9819   197.419  211.868    85.757   26.431  12.363  37.884  9.3792  -11.45286      15.51783 
1 1 1 -7  -42 63 o 19.071  8.1901  14.918     68.122   -18.8361   186.031  20.145     73.207   26.043  12.121  19.934  8.5235  6.108963       14.81768 
1 1 1 -7  -41 1  o 38.343  6.3240  191.045    56.784   79.155     78.470   314.042    82.273   25.891  9.5149  48.994  7.1298  -23.10323      11.88977 
1 1 1 -7  -41 2  o 22.580  7.6737  62.788     50.231   94.792     69.415   27.607     72.778   27.055  9.0213  21.228  8.7474  5.826481       12.56581 
1 1 1 -7  -41 3  o 29.446  7.3752  115.519    52.580   184.499    74.358   46.533     74.361   36.929  8.4776  22.908  9.0497  14.02160       12.40026 
1 1 1 -7  -41 4  o 20.790  7.6123  47.094     50.161   60.973     70.577   32.927     71.306   23.878  8.9757  21.559  8.7438  2.318470       12.53070 
1 1 1 -7  -41 5  o 44.994  5.5795  256.773    59.606   268.305    84.994   245.612    83.615   45.008  8.0797  42.909  8.3314  2.098270       11.60579 
1 1 1 -7  -41 6  o 46.595  5.4935  274.553    60.914   301.809    86.373   247.582    85.921   48.018  7.6714  43.039  8.5291  4.979641       11.47154 
1 1 1 -7  -41 7  o 12.394  5.7828  -38.0387   42.773   -29.4604   62.629   -45.5377   58.557   16.251  7.3645  14.741  6.8404  1.509760       10.05122 
1 1 1 -7  -41 8  o 34.329  6.5750  153.170    52.773   161.173    79.706   146.923    70.418   34.468  9.3108  33.052  8.6721  1.415516       12.72381 
1 1 1 -7  -41 9  o 40.607  5.6541  209.483    54.198   204.115    83.701   213.358    71.120   38.884  9.0425  40.330  7.5451  -1.446072      11.77690 
1 1 1 -7  -41 10 o 74.854  4.3410  693.523    78.506   799.534    117.590  608.274    105.449  79.629  6.1333  69.305  6.3410  10.32401       8.821841 
1 1 1 -7  -41 11 o 45.362  5.2837  258.964    57.066   202.622    89.867   297.033    73.871   38.601  9.6273  48.214  6.4784  -9.612301      11.60406 
1 1 1 -7  -41 12 o 44.114  5.4927  245.652    57.520   293.603    85.045   205.224    78.090   47.506  7.6367  39.274  8.4456  8.232227       11.38634 
1 1 1 -7  -41 13 o 56.189  6.9436  403.815    92.653   403.815    92.653   0.0000     0.0000   56.189  6.9436  ?       ?       0.000000       6.943587 
1 1 1 -7  -41 14 o 25.603  8.9576  78.041     68.619   78.041     68.619   0.0000     0.0000   25.603  8.9576  ?       ?       0.000000       8.957604 
1 1 1 -7  -41 15 o 75.073  5.3485  702.781    96.790   667.399    112.761  801.818    188.656  72.700  6.4597  77.565  10.277  -4.864967      12.13862 
1 1 1 -7  -41 16 o 103.758 4.2185  1324.43    106.204  1286.53    151.687  1360.88    148.747  101.281 6.2024  104.337 5.8997  -3.056213      8.560110 
1 1 1 -7  -41 17 o 104.770 4.0910  1348.90    103.998  1264.46    152.724  1421.91    142.012  100.384 6.3022  106.891 5.4940  -6.507156      8.360716 
1 1 1 -7  -41 18 o 48.198  4.6828  289.060    54.073   169.032    84.142   373.505    70.576   35.494  9.5574  54.639  5.3938  -19.14566      10.97434 
1 1 1 -7  -41 19 o 29.303  6.1857  110.922    42.599   177.625    72.446   75.669     52.667   36.657  8.3337  24.555  7.8357  12.10165       11.43889 
1 1 1 -7  -41 20 o 51.335  4.2956  326.210    53.014   214.055    82.891   403.839    68.962   40.194  8.7478  56.955  5.0423  -16.76175      10.09697 
1 1 1 -7  -41 21 o 57.725  4.2585  411.715    59.225   461.262    93.401   378.397    76.592   60.437  6.4697  54.886  5.8409  5.550694       8.716293 
1 1 1 -7  -41 22 o 58.085  4.2347  416.715    59.273   408.939    90.598   422.534    78.373   56.793  6.7037  58.103  5.6297  -1.310249      8.754052 
1 1 1 -7  -41 23 o 100.509 3.9814  1239.48    97.097   1316.03    143.008  1174.02    132.254  102.790 5.7570  97.122  5.6364  5.668396       8.056776 
1 1 1 -7  -41 24 o 50.416  5.7992  319.588    69.649   0.0000     0.0000   319.588    69.649   ?       ?       50.416  5.7992  0.000000       5.799195 
1 1 1 -7  -41 25 o 95.893  5.4968  1143.16    127.364  0.0000     0.0000   1143.16    127.364  ?       ?       95.893  5.4968  0.000000       5.496810 
1 1 1 -7  -41 26 o 50.457  6.0110  320.961    72.144   0.0000     0.0000   320.961    72.144   ?       ?       50.457  6.0110  0.000000       6.010952 
1 1 1 -7  -41 27 f 61.450  4.1132  465.710    60.975   405.358    93.325   510.663    80.544   56.444  6.9618  64.049  5.2283  -7.604664      8.706410 
1 1 1 -7  -41 28 o 48.463  4.2300  290.765    49.243   262.978    71.653   315.635    67.788   45.380  6.7098  50.124  5.6735  -4.744915      8.786912 
1 1 1 -7  -41 29 o 27.240  5.7988  95.579     37.152   88.886     53.571   101.780    51.567   26.254  7.8229  27.906  7.4684  -1.652109      10.81548 
1 1 1 -7  -41 30 o 50.580  4.1693  316.467    50.712   253.249    73.381   374.262    70.163   44.384  7.0496  54.712  5.3538  -10.32852      8.852118 
1 1 1 -7  -41 31 o 95.591  3.8771  1121.31    89.927   1104.78    128.113  1137.37    126.259  94.136  5.6347  95.595  5.4660  -1.458244      7.850330 
1 1 1 -7  -41 32 o 99.360  3.8927  1211.84    93.849   1223.96    134.463  1200.32    131.048  99.087  5.6158  98.165  5.5243  0.9220276      7.877557 
1 1 1 -7  -41 33 o 71.975  5.4855  646.941    95.078   554.586    150.654  708.073    122.570  64.557  9.9364  74.746  6.8338  -10.18928      12.05957 
1 1 1 -7  -41 34 o 24.106  7.5410  73.702     48.996   52.954     85.997   83.675     59.620   24.718  9.7424  25.763  8.3491  -1.045324      12.83054 
1 1 1 -7  -41 35 o 50.945  5.9039  327.867    71.627   283.542    117.724  353.920    90.255   45.375  10.841  52.437  7.2910  -7.061302      13.06458 
1 1 1 -7  -41 36 o 41.717  6.4469  223.061    63.153   225.793    106.078  221.561    78.600   40.499  10.652  40.956  8.1954  -0.4573250     13.44005 
1 1 1 -7  -41 37 o 42.525  6.4533  231.786    64.496   275.315    108.269  207.842    80.298   44.907  10.172  39.466  8.6261  5.441502       13.33727 
1 1 1 -7  -41 38 o 73.649  4.0046  669.220    71.294   627.101    102.199  709.149    99.505   70.545  6.0284  75.282  5.4852  -4.736351      8.150397 
1 1 1 -7  -41 39 o 35.445  4.6744  157.900    39.221   151.887    67.315   160.991    48.259   33.730  8.2850  35.478  5.8070  -1.748142      10.11738 
1 1 1 -7  -41 40 o 33.600  4.7404  142.322    37.574   137.043    66.993   144.744    45.384   32.003  8.4883  33.603  5.7743  -1.600174      10.26609 
1 1 1 -7  -41 41 o 17.267  6.0018  34.005     30.781   17.541     56.775   40.858     36.631   18.710  7.7198  18.834  6.5473  -0.1237850     10.12238 
1 1 1 -7  -41 42 o 52.687  3.9467  343.563    50.088   384.890    84.601   321.259    62.151   54.913  6.4739  50.591  5.1342  4.321682       8.262650 
1 1 1 -7  -41 43 o 40.686  4.4534  206.985    43.246   156.662    76.478   230.640    52.433   33.982  9.0954  42.767  5.1569  -8.784573      10.45566 
1 1 1 -7  -41 44 o 24.900  6.9988  81.254     44.043   57.200     86.210   89.749     51.234   24.829  9.7646  26.128  7.6149  -1.298903      12.38278 
1 1 1 -7  -41 45 o 24.694  6.9496  80.000     43.398   -11.1315   81.199   116.440    51.347   19.728  8.6978  29.624  7.2112  -9.896524      11.29841 
1 1 1 -7  -41 46 o 34.299  6.2933  152.995    50.445   110.348    92.155   171.241    60.279   29.419  10.374  36.027  7.1479  -6.607910      12.59840 
1 1 1 -7  -41 47 o 32.342  5.2866  134.027    40.053   157.889    74.140   124.192    47.596   33.939  8.8951  30.708  6.5855  3.231237       11.06757 
1 1 1 -7  -41 48 o 46.729  4.3271  273.084    48.505   254.284    86.427   281.729    58.606   43.309  8.5279  47.159  5.2086  -3.850121      9.992734 
1 1 1 -7  -41 49 o 63.680  3.9675  503.752    60.998   523.591    105.199  493.703    74.870   63.448  6.9468  62.628  4.9677  0.8205147      8.540218 
1 1 1 -7  -41 50 o 57.907  4.0756  417.895    56.899   450.580    100.547  402.497    69.013   58.552  7.2309  56.406  5.0975  2.146065       8.847032 
1 1 1 -7  -41 51 o 56.022  4.1518  392.134    56.035   365.798    100.082  404.160    67.629   52.007  8.2029  56.524  4.9819  -4.517151      9.597209 
1 1 1 -7  -41 52 o 46.614  4.4896  273.907    50.153   249.538    93.039   283.888    59.544   42.003  9.3674  47.125  5.2994  -5.121624      10.76254 
1 1 1 -7  -41 53 o 18.174  7.0536  31.155     44.512   25.629     92.706   32.811     50.744   22.573  9.6202  19.027  7.4886  3.546270       12.19131 
1 1 1 -7  -41 54 o 27.444  7.1446  102.723    48.041   28.107     94.817   128.494    55.723   22.815  9.7264  30.557  7.5576  -7.742115      12.31742 
1 1 1 -7  -41 55 o 49.001  5.1598  307.592    60.427   381.686    117.332  280.846    70.494   51.501  9.7463  46.116  6.4787  5.385170       11.70319 
1 1 1 -7  -41 56 o 24.995  10.895  30.340     124.176  30.340     124.176  0.0000     0.0000   24.995  10.895  ?       ?       0.000000       10.89488 
1 1 1 -7  -41 57 o 43.404  8.0887  260.816    82.053   114.128    151.061  322.208    97.727   30.500  12.589  47.890  8.7320  -17.38930      15.32102 
1 1 1 -7  -41 58 o 15.564  7.0480  -21.4910   57.244   68.387     113.042  -52.4878   66.385   26.325  10.880  15.251  7.1447  11.07336       13.01613 
1 1 1 -7  -41 59 o 22.052  7.5213  62.471     48.258   100.717    108.759  53.095     53.849   28.233  11.007  21.303  7.8730  6.930765       13.53266 
1 1 1 -7  -41 60 o 27.457  7.4108  103.803    50.520   169.674    114.087  87.736     56.345   33.475  11.559  25.372  8.1056  8.103693       14.11802 
1 1 1 -7  -41 61 o 17.132  7.6570  -13.2108   65.121   -49.4890   158.873  -5.8848    71.394   24.226  11.251  18.343  8.1182  5.882584       13.87368 
1 1 1 -7  -41 62 o 42.643  8.5858  257.216    85.763   299.395    203.647  248.122    94.557   40.184  15.215  41.108  9.6459  -0.9243889     18.01479 
1 1 1 -7  -41 63 o 46.843  8.4223  309.628    92.208   452.661    196.353  269.161    104.441  49.144  15.051  42.128  10.303  7.016823       18.23944 
1 1 1 -7  -40 1  o 72.229  4.6506  649.552    81.072   690.845    117.275  611.756    112.199  73.545  6.6435  69.106  6.7785  4.438950       9.491315 
1 1 1 -7  -40 2  o 94.635  4.4002  1107.36    101.039  1025.50    147.182  1180.32    138.953  89.677  6.8151  96.793  5.9452  -7.115753      9.043871 
1 1 1 -7  -40 3  o 40.540  5.8183  209.559    55.592   151.501    78.485   268.014    78.753   33.427  9.3242  45.329  7.4168  -11.90239      11.91427 
1 1 1 -7  -40 4  o 35.492  6.5204  163.260    54.083   154.339    76.682   172.091    76.289   33.791  9.1343  35.724  8.8474  -1.933052      12.71664 
1 1 1 -7  -40 5  f 99.382  4.6874  1222.01    113.034  1188.22    180.880  1243.66    144.786  96.080  7.8268  99.465  6.0276  -3.385864      9.878811 
1 1 1 -7  -40 6  o 18.014  7.1202  24.882     46.055   9.7791     62.176   43.242     68.553   18.820  7.9432  22.266  8.7225  -3.446192      11.79734 
1 1 1 -7  -40 7  o 16.804  6.9329  12.953     45.787   41.660     67.626   -11.3435   62.216   22.054  8.6563  17.345  7.6319  4.708673       11.54019 
1 1 1 -7  -40 8  o 49.429  5.0345  305.673    59.539   309.799    90.044   302.468    79.365   48.747  7.8817  48.526  6.9380  0.2214584      10.50033 
1 1 1 -7  -40 9  o 17.334  6.8474  22.632     42.572   -9.7516    68.285   43.222     54.449   18.323  8.0302  20.912  7.8793  -2.589622      11.25023 
1 1 1 -7  -40 10 o 68.591  4.3439  581.589    71.922   596.334    108.497  570.030    96.061   68.644  6.5953  67.364  5.9377  1.279541       8.874377 
1 1 1 -7  -40 11 o 21.312  7.3540  53.025     46.172   65.200     71.274   44.220     60.609   24.578  9.0627  21.660  8.2765  2.917631       12.27324 
1 1 1 -7  -40 12 o 57.410  6.9480  419.660    94.816   419.660    94.816   0.0000     0.0000   57.410  6.9480  ?       ?       0.000000       6.948028 
1 1 1 -7  -40 13 o 111.217 6.1212  1545.91    164.548  1545.91    164.548  0.0000     0.0000   111.217 6.1212  ?       ?       0.000000       6.121159 
1 1 1 -7  -40 14 o 152.701 5.3801  2886.88    199.343  2809.30    240.494  3057.20    356.344  149.869 6.6135  153.559 9.6122  -3.689758      11.66760 
1 1 1 -7  -40 15 o 21.646  7.3718  55.179     46.357   56.615     65.159   53.708     65.965   23.347  8.6540  23.139  8.6815  0.2083435      12.25812 
1 1 1 -7  -40 16 o 76.145  4.1275  713.454    75.975   777.195    112.468  659.952    103.039  78.912  5.9169  72.692  5.8925  6.220100       8.350529 
1 1 1 -7  -40 17 o 93.145  4.0336  1063.76    91.164   1142.79    133.801  995.286    124.545  95.851  5.7801  89.433  5.7701  6.417931       8.167250 
1 1 1 -7  -40 18 o 112.715 4.0690  1557.64    111.284  1653.84    162.984  1473.61    152.316  115.366 5.8414  108.908 5.7847  6.457939       8.221003 
1 1 1 -7  -40 19 o 30.380  5.7668  117.878    40.955   74.276     68.836   141.768    50.954   25.429  8.9663  33.197  6.5585  -7.767368      11.10894 
1 1 1 -7  -40 20 o 67.791  4.0494  565.134    66.304   632.490    100.497  513.216    88.231   71.224  5.8674  64.154  5.7283  7.070282       8.199972 
1 1 1 -7  -40 21 o 123.108 4.0970  1857.52    122.381  1942.71    177.913  1781.00    168.608  125.239 5.8547  119.939 5.7937  5.300217       8.236767 
1 1 1 -7  -40 22 o 61.187  4.1390  460.949    61.088   537.627    94.515   405.936    80.057   65.601  6.0044  56.969  5.8759  8.631828       8.401173 
1 1 1 -7  -40 23 o 54.106  5.6789  365.773    73.442   0.0000     0.0000   365.773    73.442   ?       ?       54.106  5.6789  0.000000       5.678858 
1 1 1 -7  -40 24 o 44.881  6.1230  254.157    64.940   0.0000     0.0000   254.157    64.940   ?       ?       44.881  6.1230  0.000000       6.123046 
1 1 1 -7  -40 25 o 62.969  5.4269  493.024    82.108   0.0000     0.0000   493.024    82.108   ?       ?       62.969  5.4269  0.000000       5.426925 
1 1 1 -7  -40 26 o 119.369 4.0806  1746.19    118.190  1883.73    172.803  1625.30    162.011  123.362 5.7731  114.416 5.8553  8.945778       8.222708 
1 1 1 -7  -40 27 o 63.124  3.8987  489.741    59.423   436.902    85.760   538.536    82.413   59.055  6.0714  65.886  5.1973  -6.830822      7.992146 
1 1 1 -7  -40 28 o 24.484  5.9388  77.222     34.920   24.340     50.313   126.372    48.505   18.643  7.4189  31.297  6.5954  -12.65350      9.926635 
1 1 1 -7  -40 29 o 108.220 3.8923  1434.51    102.207  1317.09    145.328  1549.43    143.768  102.929 5.8431  112.021 5.2893  -9.091438      7.881537 
1 1 1 -7  -40 30 o 95.354  3.8110  1113.47    88.175   1083.30    125.101  1143.24    124.299  93.415  5.5440  96.045  5.3550  -2.630089      7.707943 
1 1 1 -7  -40 31 f 76.505  3.8221  716.969    70.951   679.275    101.243  753.346    99.460   73.832  5.6955  77.911  5.2926  -4.079254      7.774942 
1 1 1 -7  -40 32 o 11.438  5.1541  -14.7640   30.176   -60.5926   45.458   21.340     40.348   11.774  5.6306  16.932  6.6734  -5.158164      8.731444 
1 1 1 -7  -40 33 o 140.935 4.2210  2439.72    144.345  2411.85    205.303  2466.97    202.987  139.213 6.0779  140.875 5.9384  -1.662140      8.497346 
1 1 1 -7  -40 34 o 101.637 3.8969  1266.91    96.102   1287.64    137.531  1247.14    134.341  101.743 5.5925  100.144 5.5504  1.598892       7.879263 
1 1 1 -7  -40 35 o 51.571  5.8455  334.679    71.855   228.959    117.334  398.117    90.891   40.839  11.404  55.956  6.8366  -15.11728      13.29613 
1 1 1 -7  -40 36 o 27.539  7.5922  99.090     52.368   166.082    90.567   65.443     64.186   35.154  10.090  24.086  8.6404  11.06775       13.28370 
1 1 1 -7  -40 37 o 59.026  5.6379  436.805    79.765   492.019    128.747  402.409    101.618  61.290  8.9190  55.863  7.7016  5.426140       11.78400 
1 1 1 -7  -40 38 o 28.614  7.5186  107.561    52.881   71.939     91.939   125.172    64.645   26.661  10.192  30.744  8.4188  -4.082561      13.21948 
1 1 1 -7  -40 39 o 43.234  3.9909  231.612    41.393   292.896    71.641   200.901    50.715   47.987  6.3054  39.889  5.3768  8.098076       8.286680 
1 1 1 -7  -40 40 o 26.372  5.6604  89.769     35.137   83.709     62.176   92.612     42.590   25.855  8.5340  26.634  6.6192  -0.7792568     10.80009 
1 1 1 -7  -40 41 o 12.056  5.2280  -3.2999    28.294   -75.8978   56.892   20.556     32.613   13.082  6.2675  15.636  6.0462  -2.553224      8.708512 
1 1 1 -7  -40 42 o 91.846  3.7117  1035.73    82.717   1051.77    131.258  1025.16    106.534  91.536  5.9419  90.875  4.8490  0.6603317      7.669362 
1 1 1 -7  -40 43 o 27.607  5.6633  98.354     36.664   84.166     66.233   104.622    44.024   26.044  8.8118  28.295  6.5428  -2.251369      10.97531 
1 1 1 -7  -40 44 o 47.895  4.1729  284.787    48.010   299.265    84.584   277.905    58.314   47.950  7.5171  47.015  5.1988  0.9348717      9.139709 
1 1 1 -7  -40 45 o 87.338  5.0204  950.551    105.943  906.304    172.171  977.515    134.401  83.156  8.6601  87.888  6.3451  -4.732368      10.73577 
1 1 1 -7  -40 46 o 65.773  4.9950  540.691    79.120   629.555    134.698  493.879    97.763   69.401  8.1544  62.178  6.5799  7.222633       10.47804 
1 1 1 -7  -40 47 o 32.118  6.6226  135.137    49.896   182.386    93.473   116.309    59.006   36.248  10.198  29.482  8.0308  6.766081       12.98088 
1 1 1 -7  -40 48 o 43.792  4.4666  240.044    46.796   247.426    84.586   236.788    56.176   42.912  8.4245  43.159  5.4885  -0.2477455     10.05466 
1 1 1 -7  -40 49 o 40.125  4.6971  202.845    44.865   293.431    82.549   164.870    53.448   47.212  7.4534  35.540  6.4349  11.67147       9.846905 
1 1 1 -7  -40 50 o 58.096  4.1420  420.133    58.005   344.153    101.369  457.123    70.729   50.493  8.5810  60.324  4.8738  -9.831287      9.868485 
1 1 1 -7  -40 51 o 72.991  3.9181  661.130    69.138   627.094    117.333  679.233    85.571   69.372  7.0694  73.570  4.8203  -4.197571      8.556397 
1 1 1 -7  -40 52 o 41.139  4.7914  214.409    46.932   328.253    88.757   170.225    55.294   49.627  7.6140  35.920  6.5870  13.70737       10.06789 
1 1 1 -7  -40 53 o 45.610  4.6700  262.859    50.953   261.824    94.794   263.280    60.424   43.152  9.3256  45.251  5.6246  -2.098190      10.89046 
1 1 1 -7  -40 54 o 30.167  7.1423  123.313    51.470   158.870    101.122  110.881    59.795   33.064  10.882  28.361  8.2153  4.702568       13.63476 
1 1 1 -7  -40 55 o 20.434  8.1940  35.974     61.855   47.985     98.645   28.192     79.405   24.392  10.129  21.513  9.0226  2.878305       13.56475 
1 1 1 -7  -40 56 o 15.245  6.5299  3.5223     43.099   29.774     97.305   -2.8847    48.071   23.119  9.8546  15.494  6.7653  7.625713       11.95340 
1 1 1 -7  -40 57 o 28.027  9.0767  109.436    70.472   196.743    136.093  77.448     82.376   35.554  12.600  25.382  9.6607  10.17203       15.87710 
1 1 1 -7  -40 58 o 29.619  9.0877  124.271    71.547   152.391    138.496  114.035    83.560   32.573  12.496  28.642  9.8925  3.930899       15.93746 
1 1 1 -7  -40 59 o 28.268  7.3957  109.690    51.310   101.306    112.403  111.897    57.669   28.535  11.172  28.389  8.0188  0.1459160      13.75153 
1 1 1 -7  -40 60 o 12.005  5.6412  -39.3401   41.932   33.415     89.340   -59.8957   47.487   22.679  9.5440  11.971  5.7329  10.70765       11.13343 
1 1 1 -7  -40 61 o 27.803  7.4927  106.309    51.689   156.531    113.215  93.084     58.098   32.570  11.497  26.081  8.2200  6.488268       14.13360 
1 1 1 -7  -40 62 o 31.938  9.5102  147.906    79.191   290.963    196.918  120.307    86.493   40.422  15.032  29.182  10.065  11.23963       18.09098 
1 1 1 -7  -40 63 o 29.229  9.8258  122.673    82.347   90.272     197.723  129.472    90.576   30.839  13.586  29.899  10.301  0.9403877      17.04968 
1 1 1 -7  -40 64 o 73.155  6.8255  714.472    119.756  512.617    258.840  769.450    135.084  48.194  17.345  75.243  7.4989  -27.04914      18.89619 
1 1 1 -7  -39 1  o 30.405  7.0527  121.569    51.024   86.878     70.642   159.406    73.777   26.523  9.0995  34.416  8.8003  -7.892494      12.65883 
1 1 1 -7  -39 2  o 50.786  5.4517  324.453    66.128   457.738    101.285  225.423    87.304   59.738  7.1284  40.962  9.0273  18.77629       11.50244 
1 1 1 -7  -39 3  o 41.804  6.0981  222.857    60.034   200.584    88.846   241.571    81.438   38.467  9.5604  42.817  8.1361  -4.349937      12.55380 
1 1 1 -7  -39 4  f 35.797  6.6481  165.831    55.619   232.942    80.158   103.522    77.237   42.045  8.1515  28.569  9.5155  13.47608       12.52968 
1 1 1 -7  -39 5  o 34.853  8.5370  161.924    71.623   212.158    83.180   17.890     140.850  39.871  8.8309  27.265  11.744  12.60536       14.69363 
1 1 1 -7  -39 6  o 25.293  8.5867  77.938     62.894   91.707     71.200   29.044     134.175  27.169  9.1366  27.320  11.607  -0.1517296     14.77145 
1 1 1 -7  -39 7  o 36.822  8.6449  180.293    75.917   152.779    90.717   244.593    138.680  33.835  10.202  41.872  12.612  -8.037571      16.22165 
1 1 1 -7  -39 8  o 101.591 5.7675  1286.85    141.584  1184.62    186.369  1426.37    217.728  96.235  8.0555  105.285 8.5979  -9.050316      11.78193 
1 1 1 -7  -39 9  o 139.336 4.8699  2395.35    164.645  2391.61    277.073  2397.40    204.706  136.782 8.3888  138.750 6.0804  -1.967438      10.36072 
1 1 1 -7  -39 10 o 88.196  4.4768  959.075    95.490   968.107    159.646  954.044    119.155  87.313  7.6117  87.555  5.6387  -0.2421188     9.472732 
1 1 1 -7  -39 11 o 49.803  7.7097  319.133    90.156   319.133    90.156   0.0000     0.0000   49.803  7.7097  ?       ?       0.000000       7.709653 
1 1 1 -7  -39 12 o 121.976 6.1685  1853.15    181.973  1853.15    181.973  0.0000     0.0000   121.976 6.1685  ?       ?       0.000000       6.168530 
1 1 1 -7  -39 13 o 17.339  7.4073  1.2770     55.202   3.4580     61.553   -7.6860    124.782  18.421  7.8446  24.998  10.908  -6.576559      13.43591 
1 1 1 -7  -39 14 o 99.151  4.0999  1204.59    98.636   1172.29    142.854  1234.02    136.357  97.057  6.0970  99.761  5.6565  -2.704323      8.316789 
1 1 1 -7  -39 15 o 52.247  4.5135  337.444    56.657   281.058    87.252   378.551    74.500   46.699  7.9873  55.083  5.6543  -8.384129      9.786133 
1 1 1 -7  -39 16 o 110.822 4.0713  1503.74    109.478  1618.17    159.846  1402.64    150.248  114.293 5.7828  106.366 5.8440  7.926636       8.221501 
1 1 1 -7  -39 17 o 122.276 4.0975  1830.42    121.569  1923.35    176.546  1746.62    167.648  124.767 5.8317  118.904 5.8108  5.862610       8.232523 
1 1 1 -7  -39 18 o 113.663 4.0338  1580.87    111.249  1697.45    162.828  1478.80    152.354  117.274 5.7222  109.304 5.7649  7.970467       8.122663 
1 1 1 -7  -39 19 o 27.872  6.1387  99.709     40.393   42.646     68.427   130.229    50.043   22.512  8.7432  31.827  6.6924  -9.315084      11.01055 
1 1 1 -7  -39 20 o 122.076 4.0482  1823.10    119.911  1896.14    174.398  1757.60    165.139  123.958 5.7983  119.378 5.7012  4.580757       8.131661 
1 1 1 -7  -39 21 o 67.122  4.0461  553.054    65.589   582.861    100.671  531.069    86.457   68.410  6.1299  65.446  5.4954  2.964333       8.232539 
1 1 1 -7  -39 22 o 61.562  5.4533  470.102    80.616   0.0000     0.0000   470.102    80.616   ?       ?       61.562  5.4533  0.000000       5.453348 
1 1 1 -7  -39 23 o 49.390  5.7825  304.759    67.987   0.0000     0.0000   304.759    67.987   ?       ?       49.390  5.7825  0.000000       5.782537 
1 1 1 -7  -39 24 f 59.924  5.5009  445.766    79.090   0.0000     0.0000   445.766    79.090   ?       ?       59.924  5.5009  0.000000       5.500913 
1 1 1 -7  -39 25 o 59.581  4.1795  436.530    60.040   452.488    93.847   425.473    78.119   60.096  6.5415  58.513  5.5694  1.583286       8.591269 
1 1 1 -7  -39 26 o 117.279 3.9388  1681.85    112.086  1719.62    159.918  1645.38    157.146  118.124 5.5795  115.538 5.6055  2.586502       7.909003 
1 1 1 -7  -39 27 o 27.015  5.7815  93.386     36.752   99.678     54.404   88.105     49.845   27.819  7.7641  26.230  7.4711  1.589285       10.77492 
1 1 1 -7  -39 28 o 108.702 3.8672  1444.82    102.001  1429.80    145.043  1459.51    143.472  107.547 5.5774  108.841 5.4326  -1.294289      7.785903 
1 1 1 -7  -39 29 o 118.323 4.4842  1716.90    128.742  1811.17    161.655  1553.43    212.876  121.203 5.4968  111.027 7.9546  10.17569       9.669108 
1 1 1 -7  -39 30 o 104.335 3.8577  1331.51    97.661   1351.06    139.077  1312.49    137.170  104.521 5.5033  103.012 5.5078  1.508263       7.786043 
1 1 1 -7  -39 31 o 47.169  4.3164  274.989    48.854   255.449    70.430   293.109    67.823   44.872  6.6717  48.339  5.9053  -3.466774      8.909732 
1 1 1 -7  -39 32 o 92.932  3.8283  1056.77    86.324   962.195    123.052  1148.41    121.131  88.015  5.7943  96.399  5.1979  -8.384033      7.784097 
1 1 1 -7  -39 33 o 13.539  5.7512  1.2791     32.935   -5.9503    50.175   6.7522     43.657   15.998  6.9496  15.992  6.6978  0.5267143E-02  9.651753 
1 1 1 -7  -39 34 o 117.151 3.9908  1681.69    113.442  1676.61    161.623  1686.63    159.265  116.366 5.7242  116.755 5.6219  -0.3888397     8.023202 
1 1 1 -7  -39 35 o 50.271  4.2606  312.358    51.480   313.686    73.578   311.084    72.054   49.870  6.2155  49.694  6.1041  0.1768646      8.711640 
1 1 1 -7  -39 36 o 82.189  4.3656  832.318    86.748   908.944    111.299  713.721    138.464  85.562  5.3885  74.853  7.7352  10.70928       9.427096 
1 1 1 -7  -39 37 o 126.480 5.7910  1986.38    177.720  1982.29    268.139  1989.57    237.338  124.111 8.9644  125.169 7.8544  -1.058311      11.91854 
1 1 1 -7  -39 38 o 91.727  5.4861  1046.52    121.542  963.598    187.799  1106.28    159.436  86.167  9.1210  93.571  7.0746  -7.403931      11.54309 
1 1 1 -7  -39 39 o 34.756  6.9507  156.740    56.568   164.497    102.867  153.378    67.728   35.095  10.918  34.047  8.2785  1.047577       13.70179 
1 1 1 -7  -39 40 o 33.503  5.1338  141.939    40.404   50.506     96.615   161.320    44.480   25.498  10.235  35.720  5.2921  -10.22256      11.52224 
1 1 1 -7  -39 41 o 34.808  4.5196  151.734    37.270   190.074    64.657   132.655    45.611   38.234  7.2344  32.112  6.0764  6.122761       9.447704 
1 1 1 -7  -39 42 o 20.199  6.1934  51.290     33.238   -8.5042    60.800   76.777     39.694   17.360  7.5936  24.321  6.5709  -6.961287      10.04186 
1 1 1 -7  -39 43 o 26.817  5.6114  92.666     35.340   162.563    65.418   63.862     41.996   35.082  7.8779  22.477  6.9734  12.60527       10.52094 
1 1 1 -7  -39 44 o 47.081  4.1516  274.865    46.941   377.040    81.418   223.994    57.450   54.525  6.2681  42.016  5.7889  12.50859       8.532289 
1 1 1 -7  -39 45 o 38.763  4.6128  188.142    42.533   152.641    75.426   204.695    51.503   33.688  9.0394  40.231  5.4135  -6.542736      10.53648 
1 1 1 -7  -39 46 o 84.646  5.0352  892.203    102.950  1013.96    171.975  824.200    128.523  88.517  8.0967  80.588  6.6316  7.929359       10.46589 
1 1 1 -7  -39 47 o 32.822  6.5628  140.359    50.440   244.542    94.978   99.432     59.529   42.410  9.4693  27.505  8.2580  14.90463       12.56433 
1 1 1 -7  -39 48 f 21.665  7.1706  57.907     43.885   89.062     87.857   47.549     50.658   27.528  10.075  20.912  7.6510  6.616226       12.65100 
1 1 1 -7  -39 49 o 33.705  5.3175  145.059    42.046   151.044    78.898   142.685    49.689   33.233  9.3765  33.075  6.4231  0.1575623      11.36553 
1 1 1 -7  -39 50 o 24.491  6.1940  78.752     36.832   129.595    74.232   62.147     42.422   30.871  9.2110  22.100  7.0304  8.771330       11.58741 
1 1 1 -7  -39 51 o 55.246  4.2434  380.333    56.447   336.721    100.175  400.623    68.328   50.004  8.5645  56.406  5.0456  -6.402592      9.940269 
1 1 1 -7  -39 52 o 16.562  6.3795  24.910     36.198   23.854     72.969   25.255     41.689   20.864  8.6917  17.320  6.7971  3.543465       11.03385 
1 1 1 -7  -39 53 o 50.840  4.4920  324.389    54.842   315.019    98.941   328.544    65.890   47.948  8.8298  50.785  5.4314  -2.836807      10.36651 
1 1 1 -7  -39 54 o 23.367  6.9730  72.239     42.540   182.844    78.292   25.906     50.672   36.147  8.9692  18.433  7.4076  17.71423       11.63266 
1 1 1 -7  -39 55 f 36.159  6.3644  172.322    53.800   106.316    108.128  194.039    62.022   29.046  11.065  38.147  6.9571  -9.100698      13.07050 
1 1 1 -7  -39 56 o 39.062  6.1335  199.846    56.218   181.273    112.675  206.001    64.870   34.854  11.487  39.219  7.0772  -4.365082      13.49258 
1 1 1 -7  -39 57 o 21.940  7.4647  61.134     47.532   -63.1502   100.605  96.849     53.931   19.052  8.8825  26.608  7.8293  -7.556744      11.84047 
1 1 1 -7  -39 58 o 54.446  7.0778  393.682    91.293   508.008    159.673  338.159    111.275  57.962  11.756  48.575  9.7794  9.386505       15.29147 
1 1 1 -7  -39 59 o 36.664  8.7986  189.649    77.277   235.785    147.342  172.143    90.762   38.410  13.142  34.310  10.173  4.100040       16.61967 
1 1 1 -7  -39 60 o 29.766  7.2699  120.761    52.054   252.085    112.195  84.738     58.762   40.970  11.038  25.197  8.2954  15.77362       13.80752 
1 1 1 -7  -39 61 o 21.352  7.5402  55.784     48.698   104.892    105.683  42.546     54.870   28.670  10.935  20.390  7.8543  8.279545       13.46354 
1 1 1 -7  -39 62 o 37.292  9.2940  199.389    83.796   288.764    204.170  181.284    91.892   40.663  15.270  35.113  10.188  5.550671       18.35681 
1 1 1 -7  -39 63 o 31.344  9.8740  142.618    83.838   -147.6095  185.007  217.620    94.048   23.470  11.260  38.430  9.9926  -14.95941      15.05425 
1 1 1 -7  -39 64 o 46.357  8.5532  302.173    92.664   466.539    223.896  268.200    101.791  48.815  16.198  42.521  10.029  6.294041       19.05154 
1 1 1 -7  -38 1  o 60.751  6.4028  467.314    92.960   511.589    111.798  368.123    167.337  63.148  7.4391  50.546  13.419  12.60227       15.34345 
1 1 1 -7  -38 2  o 31.303  8.7856  130.032    69.457   155.517    79.337   46.399     143.722  34.060  9.3263  28.917  12.134  5.143679       15.30377 
1 1 1 -7  -38 3  o 30.253  8.8093  120.577    68.594   144.636    79.384   49.682     136.270  32.937  9.4441  28.591  11.891  4.346252       15.18543 
1 1 1 -7  -38 4  o 79.887  6.0353  799.571    116.125  831.581    144.766  741.802    194.480  80.815  7.4670  74.220  11.143  6.594810       13.41376 
1 1 1 -7  -38 5  o 29.489  8.4989  113.840    64.140   152.351    73.304   -11.9501   132.482  33.872  8.8290  25.344  11.144  8.527525       14.21800 
1 1 1 -7  -38 6  o 41.675  7.6033  225.181    74.052   262.250    86.420   122.760    143.650  44.828  8.2490  33.494  12.755  11.33422       15.19020 
1 1 1 -7  -38 7  o 63.107  6.3372  500.578    95.727   471.021    119.490  553.539    159.947  60.427  8.3747  64.533  10.582  -4.106056      13.49469 
1 1 1 -7  -38 8  o 60.085  6.2142  453.110    89.288   464.686    115.456  435.886    140.837  60.173  8.1147  57.226  10.531  2.947063       13.29458 
1 1 1 -7  -38 9  o 58.044  6.2345  422.784    86.431   429.524    112.911  413.246    134.320  57.801  8.2880  55.869  10.288  1.932396       13.21081 
1 1 1 -7  -38 10 o 52.193  8.7412  353.069    106.785  353.069    106.785  0.0000     0.0000   52.193  8.7412  ?       ?       0.000000       8.741181 
1 1 1 -7  -38 11 o 128.985 8.0609  2098.00    251.016  2098.00    251.016  0.0000     0.0000   128.985 8.0609  ?       ?       0.000000       8.060850 
1 1 1 -7  -38 12 o 91.422  5.5911  1034.37    123.430  1010.76    162.268  1066.79    190.139  89.657  7.5287  91.619  8.6556  -1.962051      11.47176 
1 1 1 -7  -38 13 o 114.118 5.7438  1610.16    158.536  1551.33    208.795  1690.25    243.620  111.138 7.7920  115.521 8.7565  -4.383850      11.72140 
1 1 1 -7  -38 14 o 196.875 7.0036  4814.43    334.560  4504.27    456.130  5175.60    492.206  187.906 10.041  201.645 10.060  -13.73911      14.21323 
1 1 1 -7  -38 15 o 66.665  5.9408  552.187    95.089   454.355    120.692  712.304    154.402  59.630  8.5894  74.876  8.6583  -15.24641      12.19603 
1 1 1 -7  -38 16 o 65.051  5.9727  525.842    93.220   551.223    118.214  484.105    151.592  66.178  7.4940  60.863  10.653  5.315495       13.02494 
1 1 1 -7  -38 17 o 53.448  4.4110  351.858    56.694   359.986    86.446   345.724    75.100   53.526  6.8103  52.646  5.9855  0.8797073      9.066772 
1 1 1 -7  -38 18 o 124.362 4.0672  1889.65    122.729  2081.25    179.094  1720.02    168.517  130.080 5.6742  118.196 5.8760  11.88461       8.168454 
1 1 1 -7  -38 19 o 73.069  3.9434  653.849    69.655   727.065    104.881  596.068    93.171   76.694  5.6763  69.425  5.5780  7.268242       7.958323 
1 1 1 -7  -38 20 o 30.118  5.8241  115.260    41.023   125.373    70.358   110.051    50.494   31.221  8.8706  29.239  7.1717  1.981895       11.40703 
1 1 1 -7  -38 21 f 128.343 5.6328  2024.42    175.413  0.0000     0.0000   2024.42    175.413  ?       ?       128.343 5.6328  0.000000       5.632823 
1 1 1 -7  -38 22 o 59.536  5.5320  438.984    79.001   0.0000     0.0000   438.984    79.001   ?       ?       59.536  5.5320  0.000000       5.532046 
1 1 1 -7  -38 23 o 57.882  5.4439  414.869    75.558   0.0000     0.0000   414.869    75.558   ?       ?       57.882  5.4439  0.000000       5.443856 
1 1 1 -7  -38 24 o 134.259 4.1245  2202.11    134.362  2357.99    194.602  2060.10    185.741  138.464 5.7922  129.385 5.9164  9.079468       8.279729 
1 1 1 -7  -38 25 o 28.295  5.6088  101.744    37.147   107.642    55.014   96.802     50.361   28.926  7.7015  27.471  7.3927  1.455503       10.67546 
1 1 1 -7  -38 26 o 76.375  3.7187  711.794    68.914   613.361    97.495   810.081    97.423   70.390  5.7588  81.146  4.9719  -10.75645      7.608124 
1 1 1 -7  -38 27 o 118.278 3.9263  1708.43    112.680  1652.53    159.763  1763.76    158.949  115.913 5.6804  119.811 5.4676  -3.897713      7.884279 
1 1 1 -7  -38 28 o 56.366  3.9614  389.970    53.835   404.267    77.959   376.936    74.431   57.048  5.7087  55.080  5.6492  1.967342       8.031300 
1 1 1 -7  -38 29 o 60.672  4.3765  452.723    63.997   417.110    82.514   506.486    101.382  57.883  5.9603  63.653  6.6629  -5.770756      8.939720 
1 1 1 -7  -38 30 o 60.001  3.9401  441.763    57.044   483.142    81.760   402.513    79.627   62.449  5.4503  56.863  5.8549  5.585876       7.999149 
1 1 1 -7  -38 31 o 182.389 4.7185  4079.05    208.816  3894.97    296.840  4259.39    293.806  177.156 6.9056  185.480 6.5283  -8.323563      9.502939 
1 1 1 -7  -38 32 o 102.785 3.8237  1291.11    95.363   1311.43    135.918  1271.40    133.834  103.067 5.4543  101.477 5.4555  1.589890       7.714400 
1 1 1 -7  -38 33 o 90.348  3.7858  997.708    82.992   1003.26    118.509  992.366    116.261  90.085  5.4473  89.616  5.3714  0.4688187      7.650166 
1 1 1 -7  -38 34 o 120.453 4.0052  1775.61    117.060  1765.09    166.496  1785.89    164.615  119.552 5.7396  120.291 5.6399  -0.7390900     8.046818 
1 1 1 -7  -38 35 o 49.932  4.2650  307.759    51.177   269.540    73.191   344.321    71.586   46.096  6.7431  52.497  5.7121  -6.400658      8.837281 
1 1 1 -7  -38 36 o 58.327  4.0747  418.777    57.304   392.339    81.855   444.189    80.250   55.934  6.1317  59.706  5.6051  -3.771469      8.307515 
1 1 1 -7  -38 37 o 53.547  3.6808  352.403    47.533   478.585    80.168   283.993    59.029   62.032  5.3795  47.720  5.1813  14.31212       7.468949 
1 1 1 -7  -38 38 o 55.425  5.6991  384.275    75.552   415.510    122.038  364.864    96.205   56.365  9.2437  53.358  7.6496  3.007542       11.99847 
1 1 1 -7  -38 39 o 35.189  6.9593  160.117    57.316   37.304     96.987   226.028    71.051   24.764  10.139  41.885  7.2539  -17.12075      12.46640 
1 1 1 -7  -38 40 o 20.649  7.2595  48.137     45.094   54.874     84.649   45.468     53.284   24.874  9.7067  21.110  7.8256  3.763578       12.46840 
1 1 1 -7  -38 41 o 67.477  5.5510  568.326    90.079   476.428    143.456  628.144    115.741  59.754  10.264  70.459  6.8568  -10.70531      12.34378 
1 1 1 -7  -38 42 o 22.688  5.8223  66.437     32.212   90.561     58.121   55.742     38.699   26.575  8.1969  21.186  6.7121  5.388073       10.59444 
1 1 1 -7  -38 43 o 32.791  4.9318  135.661    38.024   175.809    69.088   118.216    45.541   36.526  8.0154  30.205  6.4121  6.320898       10.26463 
1 1 1 -7  -38 44 o 54.902  3.9540  372.030    52.320   349.615    88.671   384.002    64.804   52.202  7.1914  55.546  4.8570  -3.344002      8.677934 
1 1 1 -7  -38 45 o 67.472  3.8186  560.537    62.259   527.817    104.664  578.455    77.452   64.449  6.7954  68.289  4.7030  -3.839546      8.264112 
1 1 1 -7  -38 46 o 49.975  4.1289  309.324    49.619   367.299    86.744   281.129    60.493   53.609  6.8233  47.290  5.3670  6.319340       8.681117 
1 1 1 -7  -38 47 o 47.951  5.5495  289.915    63.375   165.037    113.234  346.874    76.474   35.034  11.514  52.295  6.1439  -17.26072      13.05107 
1 1 1 -7  -38 48 o 72.451  5.0762  654.778    88.673   740.734    152.230  610.635    109.091  75.323  8.4766  69.319  6.5641  6.003433       10.72103 
1 1 1 -7  -38 49 o 73.934  5.0995  682.792    90.923   814.667    157.381  616.726    111.394  78.985  8.3379  69.534  6.6848  9.451073       10.68676 
1 1 1 -7  -38 50 o 69.157  3.9858  591.573    66.600   574.684    114.072  600.307    82.033   66.770  7.1522  69.328  4.9083  -2.557632      8.674460 
1 1 1 -7  -38 51 o 60.959  4.0668  460.927    59.807   518.464    105.969  434.034    72.448   63.362  7.0101  58.765  5.1324  4.597668       8.688082 
1 1 1 -7  -38 52 o 40.657  4.8799  208.795    47.179   336.580    88.927   158.740    55.657   50.614  7.4651  34.705  6.8526  15.90922       10.13344 
1 1 1 -7  -38 53 o 56.271  4.3536  395.383    58.980   342.476    105.778  419.252    71.050   50.088  9.0360  57.642  5.1337  -7.553898      10.39251 
1 1 1 -7  -38 54 o 24.283  6.9273  78.211     42.818   126.986    81.823   59.818     50.247   30.388  9.7741  22.106  7.6691  8.281614       12.42371 
1 1 1 -7  -38 55 o 57.582  4.7792  417.672    66.170   356.619    126.964  440.439    77.533   49.592  10.853  58.797  5.4984  -9.204712      12.16609 
1 1 1 -7  -38 56 o 51.749  5.0616  339.967    62.742   385.636    123.358  324.030    72.872   51.998  10.141  50.002  6.1351  1.995983       11.85279 
1 1 1 -7  -38 57 o 57.621  4.8768  420.024    67.543   401.448    131.794  426.641    78.658   52.516  10.706  57.653  5.6974  -5.136929      12.12752 
1 1 1 -7  -38 58 o 28.096  9.0082  108.646    69.545   23.876     136.654  138.274    80.789   25.898  11.355  31.209  9.6703  -5.310869      14.91463 
1 1 1 -7  -38 59 o 33.276  8.4073  154.359    67.907   15.200     131.814  204.635    79.230   25.165  11.089  38.237  8.7315  -13.07224      14.11409 
1 1 1 -7  -38 60 o 14.013  6.3206  -18.1108   45.514   -25.8518   104.722  -16.3080   50.537   21.080  9.5406  14.963  6.7123  6.117085       11.66522 
1 1 1 -7  -38 61 o 21.822  7.6179  58.852     49.615   335.855    109.025  -13.4981   55.719   48.739  9.5606  15.945  7.1078  32.79359       11.91329 
1 1 1 -7  -38 62 o 17.164  7.1485  14.644     49.337   148.428    106.531  -21.8861   55.667   32.151  11.166  15.393  6.9623  16.75806       13.15883 
1 1 1 -7  -38 63 o 17.596  7.8665  -14.8844   68.781   -176.6942  189.383  9.7021     73.822   23.289  11.227  19.705  8.4948  3.583921       14.07893 
1 1 1 -7  -38 64 f 42.703  9.2158  260.776    92.689   257.689    210.997  261.514    103.178  38.607  15.246  42.051  10.214  -3.444149      18.35135 
1 1 1 -7  -37 1  o 80.113  6.0874  804.238    117.446  748.289    145.430  909.148    199.143  76.406  7.9614  83.018  10.094  -6.611954      12.85581 
1 1 1 -7  -37 2  o 132.352 6.1619  2182.88    197.883  2166.48    258.030  2206.29    308.339  130.313 8.2024  130.131 9.8379  0.1817627      12.80877 
1 1 1 -7  -37 3  o 62.969  6.2758  498.479    94.610   501.779    114.749  491.474    167.192  62.635  7.7133  59.984  11.907  2.651436       14.18733 
1 1 1 -7  -37 4  o 78.279  5.9472  764.637    112.113  850.514    137.856  596.895    192.668  82.162  6.9811  66.052  12.479  16.10919       14.29881 
1 1 1 -7  -37 5  o 47.448  12.714  311.046    149.331  0.0000     0.0000   311.046    149.331  ?       ?       47.448  12.714  0.000000       12.71369 
1 1 1 -7  -37 6  o 40.889  7.5345  215.608    71.999   263.086    83.962   83.695     139.952  45.137  7.9571  31.168  12.383  13.96884       14.71893 
1 1 1 -7  -37 7  o 65.323  6.2698  533.543    98.156   516.807    121.674  564.732    166.100  63.677  8.0552  65.413  10.845  -1.736534      13.50921 
1 1 1 -7  -37 8  o 94.277  5.6728  1100.40    129.165  1108.56    170.526  1089.41    197.834  93.912  7.5473  92.459  8.9295  1.453041       11.69177 
1 1 1 -7  -37 9  o 121.445 7.8770  1851.81    230.863  1851.81    230.863  0.0000     0.0000   121.445 7.8770  ?       ?       0.000000       7.876996 
1 1 1 -7  -37 10 o 54.238  8.4813  376.868    107.961  376.868    107.961  0.0000     0.0000   54.238  8.4813  ?       ?       0.000000       8.481308 
1 1 1 -7  -37 11 o 64.849  5.8880  522.185    91.638   467.415    120.384  597.648    141.308  60.593  8.4154  68.544  8.6916  -7.951794      12.09803 
1 1 1 -7  -37 12 f 77.003  5.6711  733.042    105.214  624.859    134.978  900.560    167.963  70.379  8.0488  84.552  8.2938  -14.17302      11.55727 
1 1 1 -7  -37 13 o 102.934 5.6054  1305.64    139.473  1180.22    182.778  1480.47    215.800  97.134  7.8214  108.681 8.2448  -11.54766      11.36449 
1 1 1 -7  -37 14 o 167.110 6.4390  3442.97    261.088  3469.89    353.479  3410.66    387.302  166.411 8.7853  164.377 9.7542  2.033600       13.12732 
1 1 1 -7  -37 15 o 100.640 5.5653  1246.78    135.373  1228.13    178.616  1271.96    207.510  99.312  7.4669  100.673 8.5768  -1.360214      11.37172 
1 1 1 -7  -37 16 o 91.354  5.6063  1027.78    123.670  1001.93    161.010  1064.96    193.131  89.679  7.4673  92.036  8.7537  -2.356354      11.50599 
1 1 1 -7  -37 17 o 167.751 6.3512  3462.65    258.514  3311.03    351.441  3641.42    381.607  162.698 8.9366  170.457 9.2613  -7.758301      12.86989 
1 1 1 -7  -37 18 o 119.271 5.5886  1744.43    161.735  1682.37    218.848  1819.12    240.080  116.300 7.8005  120.784 8.2410  -4.484085      11.34732 
1 1 1 -7  -37 19 o 142.477 5.8722  2491.49    203.005  2362.11    275.500  2645.18    300.284  137.715 8.2833  145.645 8.5344  -7.930206      11.89322 
1 1 1 -7  -37 20 o 153.931 9.0865  2963.23    337.876  0.0000     0.0000   2963.23    337.876  ?       ?       153.931 9.0865  0.000000       9.086488 
1 1 1 -7  -37 21 o 33.345  6.8488  141.833    53.557   0.0000     0.0000   141.833    53.557   ?       ?       33.345  6.8488  0.000000       6.848769 
1 1 1 -7  -37 22 o 93.174  5.2950  1066.29    119.215  0.0000     0.0000   1066.29    119.215  ?       ?       93.174  5.2950  0.000000       5.295040 
1 1 1 -7  -37 23 o 39.160  5.0314  190.608    46.702   134.474    75.922   224.778    59.235   32.413  9.2165  42.404  5.9184  -9.991306      10.95316 
1 1 1 -7  -37 24 o 146.377 4.1873  2614.62    148.720  2625.49    211.414  2603.97    209.247  146.247 5.9578  145.657 5.9206  0.5898895      8.399320 
1 1 1 -7  -37 25 o 134.293 4.0511  2200.07    132.006  2156.99    187.341  2242.55    186.036  132.583 5.8234  135.227 5.6698  -2.643555      8.127703 
1 1 1 -7  -37 26 o 116.121 3.8793  1644.34    109.302  1641.75    155.849  1646.85    153.333  115.718 5.5506  115.919 5.4515  -0.2009506     7.779968 
1 1 1 -7  -37 27 o 162.626 4.3785  3230.20    172.773  3202.46    245.410  3257.47    243.279  161.360 6.2681  162.778 6.1595  -1.418152      8.787931 
1 1 1 -7  -37 28 o 85.221  3.7314  885.539    77.157   869.221    109.829  901.440    108.419  84.030  5.4155  85.618  5.2442  -1.587173      7.538474 
1 1 1 -7  -37 29 o 93.847  3.7466  1074.12    85.314   1054.40    121.157  1093.51    120.154  92.565  5.4179  94.307  5.2720  -1.741470      7.559603 
1 1 1 -7  -37 30 o 159.514 4.3781  3109.94    169.451  3061.73    240.598  3157.39    238.693  157.654 6.2896  160.154 6.1424  -2.499969      8.791374 
1 1 1 -7  -37 31 o 95.494  3.7801  1112.74    87.588   1096.82    125.331  1127.93    122.455  94.352  5.4983  95.739  5.2919  -1.386307      7.631232 
1 1 1 -7  -37 32 o 70.177  3.7903  602.831    64.300   597.625    91.929   607.818    89.971   69.534  5.4934  70.167  5.3242  -0.6329117     7.650170 
1 1 1 -7  -37 33 o 56.531  4.0070  392.386    54.607   363.782    77.773   420.198    76.689   54.004  6.0386  58.215  5.4942  -4.210915      8.164008 
1 1 1 -7  -37 34 o 52.850  4.1086  343.544    52.272   355.395    74.574   332.099    73.290   53.394  5.8520  51.566  5.9679  1.828621       8.358322 
1 1 1 -7  -37 35 o 117.845 4.0044  1698.15    114.502  1643.06    163.453  1751.23    160.449  115.261 5.8638  119.245 5.5454  -3.983765      8.070676 
1 1 1 -7  -37 36 o 91.107  3.5519  1013.62    78.519   1040.13    121.220  994.449    103.062  91.727  5.4714  89.892  4.7419  1.834412       7.240265 
1 1 1 -7  -37 37 o 59.106  3.6050  428.403    51.454   475.308    82.610   398.671    65.770   61.833  5.5658  56.768  4.8205  5.064709       7.363097 
1 1 1 -7  -37 38 o 48.819  3.7719  293.209    44.333   322.527    73.438   276.399    55.609   50.680  6.0941  47.155  4.9332  3.525112       7.840611 
1 1 1 -7  -37 39 f 44.734  6.0108  252.208    63.591   284.054    107.305  234.970    78.948   46.265  9.8604  42.587  7.9321  3.678013       12.65483 
1 1 1 -7  -37 40 o 68.934  5.4816  591.013    90.930   446.858    143.713  687.249    117.422  57.909  10.619  73.971  6.6119  -16.06243      12.50941 
1 1 1 -7  -37 41 o 62.895  5.5037  493.080    83.145   502.654    130.962  486.616    107.615  62.207  8.9328  61.858  7.3113  0.3484764      11.54340 
1 1 1 -7  -37 42 o 116.203 5.7286  1675.46    161.521  1531.13    246.922  1783.42    213.546  108.689 9.4572  118.776 7.4473  -10.08714      12.03749 
1 1 1 -7  -37 43 o 70.033  3.6273  602.197    61.426   680.643    100.196  554.960    77.751   73.866  5.6328  66.914  4.8211  6.952538       7.414272 
1 1 1 -7  -37 44 o 84.195  3.7098  868.722    75.787   855.915    122.917  876.576    96.262   82.631  6.1753  84.184  4.7318  -1.553299      7.779719 
1 1 1 -7  -37 45 o 81.289  3.7219  810.057    73.410   922.677    119.929  742.576    92.834   85.951  5.7842  77.367  4.9716  8.584206       7.627165 
1 1 1 -7  -37 46 o 61.337  3.9073  463.655    57.849   486.539    98.353   451.550    71.531   61.955  6.6463  60.250  4.9363  1.705341       8.278932 
1 1 1 -7  -37 47 o 97.305  3.8286  1162.28    90.394   1167.98    145.963  1158.74    115.128  96.415  6.2734  96.670  4.9245  -0.2550278     7.975353 
1 1 1 -7  -37 48 o 76.376  5.0596  725.920    93.234   874.378    159.543  648.927    114.895  82.323  8.0917  71.518  6.6990  10.80542       10.50485 
1 1 1 -7  -37 49 o 54.339  5.3420  370.533    69.523   358.675    122.400  376.181    84.472   51.352  10.183  54.317  6.5409  -2.964523      12.10273 
1 1 1 -7  -37 50 o 75.457  3.8775  702.319    70.753   740.986    119.451  681.422    87.815   76.398  6.5058  73.952  4.9220  2.445938       8.157875 
1 1 1 -7  -37 51 o 21.751  6.5087  60.767     37.026   63.826     74.942   59.780     42.586   24.497  9.2408  21.841  7.0541  2.656136       11.62551 
1 1 1 -7  -37 52 o 87.772  3.9763  950.587    84.684   944.654    141.310  953.912    105.784  85.871  6.8388  87.365  5.0112  -1.494095      8.478266 
1 1 1 -7  -37 53 o 45.990  4.8527  266.209    53.333   280.409    93.254   259.307    65.015   45.506  8.7637  44.914  6.1256  0.5916557      10.69230 
1 1 1 -7  -37 54 o 40.724  5.2756  211.126    50.905   207.719    92.354   212.612    61.009   38.446  9.8544  40.426  6.4355  -1.979900      11.76966 
1 1 1 -7  -37 55 o 50.371  4.6909  319.121    56.674   373.043    100.983  294.328    68.474   52.760  8.1509  47.810  6.0371  4.949368       10.14321 
1 1 1 -7  -37 56 o 40.595  5.7244  212.435    54.819   195.307    104.516  218.935    64.387   36.612  10.931  40.781  6.7426  -4.168751      12.84307 
1 1 1 -7  -37 57 o 14.738  6.4200  -3.2832    43.058   -49.1848   83.634   13.272     50.227   17.826  8.2377  17.219  7.1955  0.6070805      10.93772 
1 1 1 -7  -37 58 o 41.432  5.8978  222.571    57.617   128.445    107.004  261.006    68.376   30.725  11.138  44.632  6.5052  -13.90623      12.89873 
1 1 1 -7  -37 59 f 34.992  8.5947  170.604    72.444   -48.9858   125.438  280.500    88.739   22.113  10.172  45.242  8.3927  -23.12888      13.18711 
1 1 1 -7  -37 60 o 32.464  8.8199  147.537    71.282   15.610     124.205  212.330    87.043   24.738  10.836  38.715  9.3674  -13.97703      14.32395 
1 1 1 -7  -37 61 o 44.843  5.9512  260.299    63.153   246.368    119.346  265.717    74.428   40.477  11.571  44.753  7.0904  -4.275589      13.57095 
1 1 1 -7  -37 62 o 24.840  7.6193  82.502     50.298   97.614     102.178  77.669     57.784   28.198  10.753  24.448  8.2308  3.750456       13.54156 
1 1 1 -7  -37 63 o 32.970  10.010  156.437    87.117   16.762     221.326  182.045    94.767   30.323  13.781  35.301  10.376  -4.977829      17.25079 
1 1 1 -7  -37 64 o 49.986  8.6162  346.111    100.730  421.572    246.275  330.950    110.386  46.673  16.901  47.996  9.8098  -1.323204      19.54160 
1 1 1 -7  -36 1  o 71.014  4.3992  621.852    75.429   694.476    109.228  555.646    104.290  74.529  6.0934  66.454  6.5532  8.075005       8.948402 
1 1 1 -7  -36 2  o 160.088 4.6345  3150.73    180.023  3167.72    259.378  3134.94    250.059  159.374 6.7073  158.682 6.4946  0.6920929      9.336357 
1 1 1 -7  -36 3  f 120.766 4.2623  1788.26    124.898  1853.98    180.591  1728.01    172.923  122.296 6.0858  117.933 6.0635  4.362762       8.590899 
1 1 1 -7  -36 4  f 46.682  5.1952  271.480    57.848   238.544    80.759   306.185    82.900   42.948  8.0453  49.073  7.1741  -6.124756      10.77941 
1 1 1 -7  -36 5  o 59.062  4.5937  430.339    65.313   400.400    93.254   459.166    91.505   56.347  6.9693  60.587  6.3174  -4.240128      9.406417 
1 1 1 -7  -36 6  o 107.050 4.1509  1401.99    107.819  1438.86    155.564  1367.91    149.571  107.813 5.9700  105.142 5.8865  2.670227       8.383958 
1 1 1 -7  -36 7  o 98.348  4.1060  1182.51    97.981   1262.26    141.983  1109.99    135.386  101.062 5.8146  94.718  5.9205  6.344475       8.298294 
1 1 1 -7  -36 8  o 94.674  6.0384  1108.69    137.989  1108.69    137.989  0.0000     0.0000   94.674  6.0384  ?       ?       0.000000       6.038401 
1 1 1 -7  -36 9  o 96.687  5.9622  1154.60    139.193  1154.60    139.193  0.0000     0.0000   96.687  5.9622  ?       ?       0.000000       5.962235 
1 1 1 -7  -36 10 o 36.054  8.7985  168.607    76.293   168.607    76.293   0.0000     0.0000   36.054  8.7985  ?       ?       0.000000       8.798538 
1 1 1 -7  -36 11 o 78.608  4.6538  758.097    88.369   763.601    113.088  749.467    141.618  78.613  5.9733  77.437  7.6366  1.176567       9.695243 
1 1 1 -7  -36 12 o 115.642 4.0519  1631.51    113.694  1623.33    165.260  1638.86    156.659  114.833 5.9515  115.612 5.5845  -0.7791367     8.161354 
1 1 1 -7  -36 13 o 89.114  3.9290  968.273    84.955   960.669    124.375  974.925    116.319  88.311  5.8373  89.061  5.4083  -0.7505417     7.957608 
1 1 1 -7  -36 14 o 172.835 6.4881  3671.60    272.089  3632.08    369.447  3718.45    402.224  170.691 8.9515  172.337 9.6578  -1.646545      13.16822 
1 1 1 -7  -36 15 o 82.044  5.6201  828.113    111.206  793.908    144.007  878.645    175.032  79.886  7.5178  83.725  8.7449  -3.839302      11.53218 
1 1 1 -7  -36 16 o 168.568 6.4159  3488.45    262.420  3534.34    356.232  3434.00    388.040  168.617 8.7370  165.742 9.6911  2.874893       13.04810 
1 1 1 -7  -36 17 o 113.344 5.4879  1571.83    150.928  1648.65    204.221  1479.38    224.042  115.480 7.3263  108.998 8.5395  6.482124       11.25157 
1 1 1 -7  -36 18 o 75.976  5.3464  709.224    97.933   673.984    131.675  752.849    146.505  73.608  7.4762  77.735  7.8760  -4.126976      10.85932 
1 1 1 -7  -36 19 o 150.352 8.9238  2810.82    324.098  0.0000     0.0000   2810.82    324.098  ?       ?       150.352 8.9238  0.000000       8.923841 
1 1 1 -7  -36 20 o 57.517  8.7619  418.297    118.417  0.0000     0.0000   418.297    118.417  ?       ?       57.517  8.7619  0.000000       8.761924 
1 1 1 -7  -36 21 o 144.683 8.7919  2600.74    307.187  0.0000     0.0000   2600.74    307.187  ?       ?       144.683 8.7919  0.000000       8.791926 
1 1 1 -7  -36 22 f 149.788 6.0071  2748.13    218.328  2840.59    298.660  2642.00    319.965  151.474 8.1560  145.712 9.0954  5.762543       12.21662 
1 1 1 -7  -36 23 f 46.897  4.1775  270.163    47.038   175.028    66.971   362.788    66.082   37.026  7.7053  54.265  5.0779  -17.23888      9.227996 
1 1 1 -7  -36 24 o 152.183 4.2943  2823.73    158.572  2866.58    225.199  2781.59    223.321  152.955 6.0679  150.661 6.1089  2.294617       8.610368 
1 1 1 -7  -36 25 o 78.923  3.7000  758.529    70.854   749.758    100.807  767.093    99.610   78.127  5.3499  79.052  5.2225  -0.9246521     7.476373 
1 1 1 -7  -36 26 o 107.762 3.8087  1414.58    99.587   1333.63    141.535  1493.95    140.149  104.237 5.6167  110.546 5.2250  -6.308823      7.671231 
1 1 1 -7  -36 27 o 163.537 4.4001  3262.75    174.600  3229.63    247.957  3295.32    245.899  162.233 6.2990  163.909 6.1829  -1.675674      8.826418 
1 1 1 -7  -36 28 o 82.172  3.7025  822.525    73.822   812.196    105.760  832.340    103.091  81.295  5.3922  82.340  5.1864  -1.045464      7.481637 
1 1 1 -7  -36 29 o 160.762 4.3640  3153.93    170.229  3136.10    241.852  3171.44    239.644  159.819 6.2367  160.745 6.1442  -0.9260864     8.754867 
1 1 1 -7  -36 30 o 78.780  3.7551  756.378    71.779   830.041    103.037  686.925    100.050  82.198  5.1929  74.674  5.5617  7.523735       7.609088 
1 1 1 -7  -36 31 o 105.912 3.8353  1367.68    98.563   1358.72    140.509  1376.36    138.296  105.144 5.5269  105.856 5.4023  -0.7121124     7.728608 
1 1 1 -7  -36 32 o 70.927  3.7994  615.194    65.150   644.238    92.643   586.777    91.637   72.318  5.3169  68.957  5.5231  3.360657       7.666423 
1 1 1 -7  -36 33 o 34.644  5.6949  151.109    46.207   191.009    61.484   99.331     70.042   38.808  6.7760  28.377  9.0343  10.43167       11.29301 
1 1 1 -7  -36 34 o 94.807  3.8318  1096.87    88.147   1024.68    125.831  1166.44    123.517  91.137  5.7192  97.383  5.2467  -6.246140      7.761251 
1 1 1 -7  -36 35 o 90.882  3.7943  1008.15    83.671   1028.14    119.906  989.183    116.812  91.332  5.4353  89.588  5.3989  1.743446       7.660974 
1 1 1 -7  -36 36 o 91.599  3.5449  1023.69    78.787   1004.09    121.570  1037.88    103.454  90.177  5.5835  91.930  4.6531  -1.753685      7.268220 
1 1 1 -7  -36 37 o 89.887  3.5579  986.176    77.598   944.968    120.150  1015.66    101.638  87.400  5.6968  90.918  4.6225  -3.518036      7.336260 
1 1 1 -7  -36 38 o 62.413  3.5845  477.225    54.055   461.190    87.378   487.166    68.801   60.822  5.9989  62.880  4.5399  -2.058586      7.523150 
1 1 1 -7  -36 39 o 54.517  3.6824  364.843    48.426   384.465    78.413   352.745    61.571   55.475  5.9168  53.381  4.8051  2.093319       7.622153 
1 1 1 -7  -36 40 o 110.747 5.5060  1513.85    147.957  1605.75    226.012  1444.93    195.725  112.555 8.3349  107.143 7.5776  5.412308       11.26456 
1 1 1 -7  -36 41 f 149.806 6.1717  2785.41    224.337  2672.43    334.677  2877.59    302.308  144.166 9.6228  150.700 8.2994  -6.534134      12.70744 
1 1 1 -7  -36 42 o 55.032  5.8012  379.139    76.297   314.459    124.342  418.198    96.625   48.290  10.874  57.412  7.0866  -9.122314      12.97919 
1 1 1 -7  -36 43 o 85.094  4.1463  888.501    85.609   683.934    176.477  951.455    97.900   71.964  10.409  87.825  4.6102  -15.86140      11.38438 
1 1 1 -7  -36 44 o 75.951  3.7048  706.455    68.275   723.471    110.727  696.016    86.724   76.049  6.0506  75.008  4.7901  1.040642       7.717195 
1 1 1 -7  -36 45 o 43.033  4.4151  230.040    45.447   289.654    79.967   201.598    55.235   47.540  7.1541  39.883  5.8845  7.656830       9.263314 
1 1 1 -7  -36 46 o 66.261  3.8106  539.998    61.008   586.232    101.860  514.135    76.185   68.305  6.2139  64.359  4.9158  3.946167       7.923262 
1 1 1 -7  -36 47 o 96.862  3.7962  1150.56    89.220   1199.99    144.703  1120.25    113.324  97.911  6.1216  95.109  4.9275  2.801849       7.858407 
1 1 1 -7  -36 48 o 64.982  5.1775  526.119    80.958   574.308    142.025  502.924    98.534   66.209  9.0798  63.037  6.5372  3.172661       11.18823 
1 1 1 -7  -36 49 o 68.866  5.2501  591.536    87.065   610.460    151.243  582.156    106.478  68.003  9.4190  67.804  6.5537  0.1983795      11.47474 
1 1 1 -7  -36 50 o 34.898  6.7266  158.187    54.893   206.035    108.897  141.888    63.558   38.597  11.060  32.670  8.0662  5.926517       13.68860 
1 1 1 -7  -36 51 o 85.614  3.9448  902.108    81.948   749.673    132.620  996.257    104.226  76.482  7.2322  89.539  4.8150  -13.05663      8.688478 
1 1 1 -7  -36 52 o 13.577  5.8896  -3.4487    35.936   59.157     64.745   -31.3239   43.202   23.300  8.6285  12.873  5.9387  10.42678       10.47469 
1 1 1 -7  -36 53 o 37.153  5.3480  175.736    46.821   59.106     79.880   236.780    57.790   24.415  9.4565  43.118  5.6605  -18.70259      11.02121 
1 1 1 -7  -36 54 o 54.572  4.4353  371.662    58.222   295.823    98.864   411.928    72.038   46.627  9.0651  57.160  5.2529  -10.53324      10.47703 
1 1 1 -7  -36 55 o 44.430  4.9033  249.177    51.979   152.185    89.759   298.114    63.758   33.047  10.185  48.402  5.5280  -15.35456      11.58875 
1 1 1 -7  -36 56 o 54.844  4.8238  378.488    63.539   440.483    114.483  350.890    76.383   57.195  8.5084  52.215  6.1465  4.979874       10.49633 
1 1 1 -7  -36 57 o 53.813  4.9179  365.581    63.505   446.369    116.561  331.477    75.732   57.370  8.6416  50.595  6.3058  6.774799       10.69769 
1 1 1 -7  -36 58 o 50.318  5.2150  321.897    62.747   354.958    116.779  308.478    74.399   50.108  9.9557  48.669  6.4597  1.439201       11.86776 
1 1 1 -7  -36 59 f 35.711  8.5452  176.645    73.053   117.713    124.931  207.265    90.053   30.621  11.836  38.155  9.7046  -7.533209      15.30571 
1 1 1 -7  -36 60 o 41.895  8.0084  238.178    78.441   226.583    135.166  244.065    96.320   38.541  12.576  41.445  9.7425  -2.904404      15.90823 
1 1 1 -7  -36 61 o 51.054  5.2851  331.688    64.522   208.988    123.493  377.760    75.673   37.384  12.006  54.247  5.8412  -16.86245      13.35148 
1 1 1 -7  -36 62 o 18.180  7.3038  24.993     49.245   -86.7006   99.300   61.422     56.710   18.190  8.5884  22.633  8.1214  -4.443134      11.82017 
1 1 1 -7  -36 63 o 20.243  7.6100  43.859     50.735   -16.3056   100.972  64.179     58.680   21.237  9.5100  23.018  8.2610  -1.780636      12.59702 
1 1 1 -7  -36 64 o 27.757  9.8911  101.938    83.981   229.033    226.449  81.670     90.429   38.238  15.555  26.331  10.098  11.90660       18.54511 
1 1 1 -7  -36 65 o 38.266  15.937  240.963    245.251  240.963    245.251  0.0000     0.0000   38.266  15.937  ?       ?       0.000000       15.93742 
1 1 1 -7  -35 1  o 138.030 4.3753  2336.25    146.537  2429.20    212.021  2251.24    202.758  139.981 6.2423  134.776 6.2002  5.205444       8.798198 
1 1 1 -7  -35 2  o 84.138  4.2060  866.834    85.867   895.180    123.605  840.395    119.373  84.887  6.0405  82.241  6.0240  2.646141       8.530923 
1 1 1 -7  -35 3  o 70.316  4.2500  607.304    72.170   590.886    100.882  624.514    103.288  68.909  6.0965  70.865  6.0654  -1.956413      8.599780 
1 1 1 -7  -35 4  o 97.996  4.0926  1173.99    97.314   1091.19    138.585  1254.53    136.681  93.849  6.1193  100.817 5.6096  -6.967873      8.301418 
1 1 1 -7  -35 5  o 64.415  4.3222  509.609    67.164   492.453    93.616   527.805    96.414   62.906  6.2145  65.156  6.1720  -2.249733      8.758670 
1 1 1 -7  -35 6  o 68.264  4.2144  571.434    69.464   468.178    97.702   676.983    98.782   61.239  6.6838  74.053  5.5376  -12.81434      8.679781 
1 1 1 -7  -35 7  o 75.090  6.1932  698.230    111.832  698.230    111.832  0.0000     0.0000   75.090  6.1932  ?       ?       0.000000       6.193161 
1 1 1 -7  -35 8  o 130.898 6.1537  2105.82    195.449  2105.82    195.449  0.0000     0.0000   130.898 6.1537  ?       ?       0.000000       6.153710 
1 1 1 -7  -35 9  f 128.886 4.7944  2030.22    149.936  2009.83    189.740  2064.12    244.665  127.944 6.1119  128.938 7.8579  -0.9938049     9.954965 
1 1 1 -7  -35 10 o 103.542 4.0622  1307.15    102.058  1291.00    147.265  1322.08    141.566  102.442 5.9502  103.743 5.6451  -1.300827      8.202005 
1 1 1 -7  -35 11 o 35.197  5.4280  155.007    44.866   112.476    73.207   180.590    56.778   30.023  9.1894  37.856  6.4101  -7.833080      11.20418 
1 1 1 -7  -35 12 o 117.209 4.0252  1674.01    114.477  1607.67    166.193  1733.90    157.913  114.404 6.0080  119.068 5.4659  -4.664330      8.122324 
1 1 1 -7  -35 13 o 48.473  4.5679  289.095    53.092   295.645    80.809   284.120    70.424   48.566  7.0645  47.765  6.2243  0.8014336      9.415380 
1 1 1 -7  -35 14 o 77.780  4.0031  738.787    75.292   705.146    111.355  767.119    102.192  75.649  6.1190  79.060  5.3588  -3.411331      8.133833 
1 1 1 -7  -35 15 o 158.675 4.4074  3068.68    169.691  3145.29    244.007  2996.92    236.145  160.266 6.2748  156.452 6.2206  3.813400       8.835650 
1 1 1 -7  -35 16 o 167.562 5.1823  3427.40    210.698  3503.26    263.856  3293.88    350.026  169.126 6.4297  163.068 8.8798  6.057083       10.96327 
1 1 1 -7  -35 17 o 108.928 4.4856  1446.01    118.555  1461.99    152.134  1421.30    189.182  109.220 5.7610  107.355 7.3061  1.865082       9.304237 
1 1 1 -7  -35 18 o 176.725 9.5404  3875.76    407.586  0.0000     0.0000   3875.76    407.586  ?       ?       176.725 9.5404  0.000000       9.540438 
1 1 1 -7  -35 19 o 177.536 9.5456  3910.35    409.690  0.0000     0.0000   3910.35    409.690  ?       ?       177.536 9.5456  0.000000       9.545596 
1 1 1 -7  -35 20 o 206.275 10.392  5295.04    518.482  0.0000     0.0000   5295.04    518.482  ?       ?       206.275 10.392  0.000000       10.39248 
1 1 1 -7  -35 21 o 24.746  8.3557  70.436     59.552   66.199     82.445   75.059     86.113   26.190  9.7293  27.258  9.9749  -1.067364      13.93407 
1 1 1 -7  -35 22 o 212.813 7.1628  5555.45    369.869  5434.78    510.673  5688.60    536.424  209.380 10.052  214.087 10.327  -4.706909      14.41095 
1 1 1 -7  -35 23 o 172.430 6.2967  3638.23    263.446  3372.82    360.965  3940.75    385.369  165.038 9.0485  178.699 8.8877  -13.66139      12.68335 
1 1 1 -7  -35 24 o 179.417 6.5077  3941.79    283.307  4012.32    388.767  3861.92    413.708  180.296 8.8867  176.344 9.7061  3.950989       13.15983 
1 1 1 -7  -35 25 o 109.024 4.2810  1447.96    113.247  1458.66    190.034  1442.06    141.023  108.781 7.2411  108.677 5.3480  0.1035385      9.001905 
1 1 1 -7  -35 26 o 165.329 4.4185  3330.99    177.251  3193.50    251.275  3467.16    250.070  161.483 6.4130  168.329 6.1226  -6.846237      8.866387 
1 1 1 -7  -35 27 o 148.558 4.2128  2688.73    151.854  2509.27    215.363  2866.17    214.150  143.166 6.1996  153.103 5.7646  -9.936493      8.465603 
1 1 1 -7  -35 28 o 74.881  3.7234  682.584    67.651   756.707    96.666   611.431    94.711   78.563  5.0985  70.507  5.5817  8.056953       7.559812 
1 1 1 -7  -35 29 o 46.041  4.2178  260.483    46.596   298.816    66.994   224.565    64.850   49.098  5.7314  42.316  6.5258  6.781925       8.685388 
1 1 1 -7  -35 30 o 114.577 3.8661  1599.08    107.480  1611.94    153.049  1586.56    150.973  114.803 5.4943  113.901 5.4627  0.9018860      7.747817 
1 1 1 -7  -35 31 o 32.978  5.2018  136.119    40.244   183.125    59.139   95.576     54.923   38.082  6.6417  27.489  7.8468  10.59274       10.28028 
1 1 1 -7  -35 32 o 98.745  3.7907  1188.02    90.824   1158.90    129.197  1216.48    127.705  97.145  5.5037  99.578  5.3045  -2.433380      7.643872 
1 1 1 -7  -35 33 o 127.226 4.0218  1973.86    124.155  2009.88    177.407  1939.29    173.812  128.049 5.7099  125.784 5.6950  2.265495       8.064478 
1 1 1 -7  -35 34 o 124.857 3.9990  1901.59    121.151  1874.31    172.555  1928.11    170.138  123.602 5.7536  125.402 5.5916  -1.800156      8.023065 
1 1 1 -7  -35 35 o 73.981  3.4831  666.940    62.524   681.602    97.730   656.781    81.351   74.360  5.4546  73.154  4.6067  1.206245       7.139641 
1 1 1 -7  -35 36 o 58.962  3.5533  425.371    50.598   538.128    81.041   353.334    64.775   66.076  5.0940  53.470  5.0526  12.60613       7.174734 
1 1 1 -7  -35 37 o 60.206  3.5701  443.632    51.921   395.557    83.959   473.402    66.069   56.314  6.2500  62.061  4.4163  -5.747425      7.652852 
1 1 1 -7  -35 38 o 93.345  3.5864  1063.21    81.229   997.657    126.099  1109.71    106.198  89.824  5.8170  95.189  4.5980  -5.365295      7.414736 
1 1 1 -7  -35 39 o 69.732  3.5572  595.024    59.986   613.447    95.878   583.173    76.896   70.351  5.6647  68.827  4.6314  1.524147       7.317052 
1 1 1 -7  -35 40 o 82.184  3.5843  824.824    71.475   753.861    112.840  872.373    92.367   77.888  6.0175  84.236  4.5359  -6.348015      7.535521 
1 1 1 -7  -35 41 o 132.580 5.8552  2172.48    188.357  2073.48    283.131  2251.09    252.284  127.521 9.2124  133.801 7.8047  -6.279999      12.07402 
1 1 1 -7  -35 42 o 112.362 5.5551  1559.11    151.453  1665.52    231.053  1478.94    200.546  114.596 8.3674  108.329 7.6794  6.267136       11.35727 
1 1 1 -7  -35 43 o 38.095  6.6479  185.630    59.213   104.918    96.759   233.954    74.870   29.926  10.622  42.616  7.5151  -12.69061      13.01170 
1 1 1 -7  -35 44 o 91.947  3.6525  1034.41    81.488   1101.82    129.343  990.049    104.930  94.169  5.6874  89.541  4.8477  4.628479       7.473081 
1 1 1 -7  -35 45 o 28.974  5.6722  107.416    38.450   143.777    70.638   92.107     45.835   33.010  8.6974  26.642  6.9994  6.368008       11.16413 
1 1 1 -7  -35 46 o 72.993  3.7855  654.403    66.814   674.056    111.372  643.352    83.511   73.295  6.3243  72.104  4.8008  1.191185       7.940023 
1 1 1 -7  -35 47 o 53.973  4.0697  359.480    52.905   339.135    91.642   369.650    64.792   51.362  7.5813  54.518  4.9519  -3.156181      9.055262 
1 1 1 -7  -35 48 o 62.750  3.8786  484.719    58.764   589.430    98.975   427.711    73.029   68.564  6.0100  58.587  5.1911  9.977108       7.941476 
1 1 1 -7  -35 49 o 108.418 5.3880  1457.68    141.741  1483.01    232.306  1442.66    178.900  106.968 9.0349  106.902 6.9345  0.6589508E-01  11.38933 
1 1 1 -7  -35 50 o 46.510  6.0038  274.092    66.173   395.790    113.388  211.237    81.489   54.865  8.8160  39.851  8.6737  15.01401       12.36751 
1 1 1 -7  -35 51 o 30.621  7.7603  124.069    57.731   285.893    105.569  55.030     68.955   45.967  9.7664  23.374  8.8526  22.59321       13.18148 
1 1 1 -7  -35 52 o 19.529  6.7363  44.540     38.740   -17.6148   66.404   76.610     47.699   17.514  7.7864  24.375  7.4087  -6.860302      10.74792 
1 1 1 -7  -35 53 o 27.702  6.4181  100.513    42.294   50.789     73.198   125.434    51.820   23.247  9.0390  30.829  7.0772  -7.581316      11.47993 
1 1 1 -7  -35 54 o 23.941  6.9042  74.901     42.317   250.535    73.911   -10.7507   51.614   43.769  7.2106  15.696  6.9267  28.07304       9.998610 
1 1 1 -7  -35 55 o 54.607  4.4215  372.045    58.082   300.596    100.255  408.140    71.258   46.986  9.1227  56.911  5.2184  -9.925426      10.50979 
1 1 1 -7  -35 56 f 53.481  4.3148  356.954    55.516   562.049    99.767   264.966    66.815   66.246  6.2819  45.314  6.2426  20.93150       8.856156 
1 1 1 -7  -35 57 o 28.336  7.1177  107.555    48.872   119.913    93.841   102.955    57.249   30.012  10.477  27.630  8.0486  2.382441       13.21142 
1 1 1 -7  -35 58 o 27.694  7.2940  103.204    49.693   197.057    95.484   68.342     58.194   37.099  10.262  23.535  8.2484  13.56378       13.16585 
1 1 1 -7  -35 59 o 28.725  7.2457  111.186    50.497   159.899    97.813   93.485     58.962   33.498  10.677  26.426  8.2734  7.072332       13.50757 
1 1 1 -7  -35 60 o 25.408  8.5593  83.811     62.488   206.427    104.637  15.843     77.905   37.649  10.857  20.752  8.8308  16.89785       13.99455 
1 1 1 -7  -35 61 o 24.294  8.6525  72.483     64.257   103.132    113.317  57.957     78.012   29.305  11.287  23.875  9.3180  5.429581       14.63667 
1 1 1 -7  -35 62 o 26.988  7.6192  98.204     52.079   162.599    99.206   73.706     61.189   33.761  10.752  24.265  8.4605  9.495701       13.68172 
1 1 1 -7  -35 63 o 44.411  6.0433  255.225    63.431   229.838    123.093  264.403    74.015   39.151  11.902  44.734  7.0525  -5.583298      13.83459 
1 1 1 -7  -35 64 o 22.151  10.854  -276.3006  197.453  -276.3006  197.453  0.0000     0.0000   22.151  10.854  ?       ?       0.000000       10.85436 
1 1 1 -7  -35 65 o 36.832  15.185  201.710    219.459  201.710    219.459  0.0000     0.0000   36.832  15.185  ?       ?       0.000000       15.18503 
1 1 1 -7  -34 1  o 132.741 4.2522  2155.81    136.956  2178.92    198.501  2134.81    189.202  132.840 6.1585  131.573 5.9264  1.266464       8.546891 
1 1 1 -7  -34 2  o 42.567  4.8962  224.940    49.649   257.087    69.334   191.105    71.130   45.182  6.5124  38.514  7.8771  6.667870       10.22053 
1 1 1 -7  -34 3  o 62.586  4.2735  480.867    64.510   474.490    92.047   487.023    90.436   61.763  6.2271  62.630  6.0254  -0.8666115     8.665009 
1 1 1 -7  -34 4  f 68.863  4.0740  580.831    67.769   577.465    96.396   584.120    95.294   68.316  5.8724  68.734  5.7672  -0.4185791     8.230764 
1 1 1 -7  -34 5  o 29.508  6.0680  110.780    41.994   144.512    56.422   68.887     62.879   33.608  7.1394  24.714  8.5788  8.893457       11.16098 
1 1 1 -7  -34 6  o 45.139  6.3297  254.988    67.420   254.988    67.420   0.0000     0.0000   45.139  6.3297  ?       ?       0.000000       6.329694 
1 1 1 -7  -34 7  o 82.047  5.7295  828.432    113.348  828.432    113.348  0.0000     0.0000   82.047  5.7295  ?       ?       0.000000       5.729525 
1 1 1 -7  -34 8  o 28.035  6.2662  100.117    41.554   95.359     57.659   105.257    59.938   27.549  8.0924  28.822  8.1869  -1.273056      11.51142 
1 1 1 -7  -34 9  o 81.493  3.8757  808.778    76.636   713.309    111.477  894.330    105.528  76.083  6.0896  85.424  5.1148  -9.341118      7.952610 
1 1 1 -7  -34 10 o 190.047 4.7640  4405.59    219.681  4679.96    315.434  4147.17    306.128  195.375 6.6539  183.856 6.8621  11.51848       9.558417 
1 1 1 -7  -34 11 o 104.004 3.8650  1316.71    97.536   1401.71    143.568  1243.86    132.919  106.977 5.5501  100.773 5.4563  6.203773       7.782982 
1 1 1 -7  -34 12 o 14.336  5.5943  15.131     28.115   -48.0880   45.232   54.937     35.892   12.468  5.8590  21.140  6.4269  -8.672094      8.696704 
1 1 1 -7  -34 13 o 41.500  4.3366  212.012    43.023   168.322    66.246   243.880    56.578   36.350  7.7478  44.387  5.3618  -8.037468      9.422185 
1 1 1 -7  -34 14 o 54.163  4.3097  359.468    56.171   380.808    84.025   342.226    75.528   55.448  6.3604  52.585  6.0284  2.863075       8.763350 
1 1 1 -7  -34 15 o 144.960 4.2348  2558.21    148.951  2638.47    213.715  2482.39    207.709  146.961 5.9933  142.546 6.0053  4.415146       8.484334 
1 1 1 -7  -34 16 o 94.123  4.4119  1078.76    100.759  1152.99    131.147  971.814    157.412  97.041  5.5935  88.747  7.3769  8.294006       9.257743 
1 1 1 -7  -34 17 f 43.007  5.9330  230.038    60.263   0.0000     0.0000   230.038    60.263   ?       ?       43.007  5.9330  0.000000       5.932969 
1 1 1 -7  -34 18 o 52.674  5.5675  342.239    70.079   0.0000     0.0000   342.239    70.079   ?       ?       52.674  5.5675  0.000000       5.567470 
1 1 1 -7  -34 19 o 200.419 6.8542  4914.91    333.318  0.0000     0.0000   4914.91    333.318  ?       ?       200.419 6.8542  0.000000       6.854181 
1 1 1 -7  -34 20 o 352.261 7.3895  15203.57   631.598  16054.69   895.577  14361.38   890.871  360.362 10.242  340.483 10.783  19.87802       14.87237 
1 1 1 -7  -34 21 o 343.558 10.316  14596.10   859.927  14483.18   1203.24  14713.98   1229.42  338.997 14.628  341.504 14.837  -2.507355      20.83550 
1 1 1 -7  -34 22 o 196.775 6.7840  4736.94    323.906  4471.00    446.212  5033.17    470.932  190.112 9.7055  201.992 9.6086  -11.87993      13.65727 
1 1 1 -7  -34 23 o 49.735  5.8383  306.037    69.116   221.755    90.352   424.927    107.310  41.640  9.1888  58.364  7.7708  -16.72317      12.03407 
1 1 1 -7  -34 24 o 37.976  6.7130  181.551    59.594   190.443    74.644   165.919    98.969   38.665  8.2101  36.251  10.589  2.413364       13.39879 
1 1 1 -7  -34 25 o 98.178  5.2988  1178.96    125.761  1189.33    167.623  1165.62    190.219  98.301  7.0750  97.083  8.1505  1.217575       10.79287 
1 1 1 -7  -34 26 o 137.685 5.7248  2314.41    191.253  2284.93    260.746  2348.74    281.375  136.192 7.9247  137.946 8.4471  -1.753799      11.58255 
1 1 1 -7  -34 27 o 58.593  3.8858  419.582    54.932   387.724    79.783   448.295    75.744   56.025  5.9605  60.403  5.2193  -4.377766      7.922671 
1 1 1 -7  -34 28 o 43.441  4.2750  232.001    44.477   188.511    63.723   273.314    62.108   38.635  7.0576  46.995  5.5541  -8.359917      8.980933 
1 1 1 -7  -34 29 o 12.810  5.5000  -2.1916    30.706   -21.4963   44.914   14.749     42.074   14.058  6.3155  16.665  6.7313  -2.606965      9.230136 
1 1 1 -7  -34 30 o 100.012 3.7679  1217.35    91.436   1222.62    130.238  1212.23    128.402  99.920  5.3918  99.503  5.3378  0.4175262      7.587036 
1 1 1 -7  -34 31 o 195.924 4.8035  4682.51    228.352  4821.42    324.439  4546.15    321.459  198.285 6.7434  192.499 6.8823  5.786118       9.635313 
1 1 1 -7  -34 32 o 79.748  3.7374  774.278    72.318   775.566    103.441  773.046    101.144  79.484  5.3955  79.373  5.2819  0.1101456      7.550478 
1 1 1 -7  -34 33 o 31.074  5.4912  121.526    39.888   156.467    57.427   88.953     55.447   35.082  6.9917  26.682  7.9606  8.400583       10.59505 
1 1 1 -7  -34 34 o 74.790  3.4604  680.957    62.796   661.833    97.743   694.398    81.944   73.333  5.5340  75.302  4.5056  -1.969116      7.136159 
1 1 1 -7  -34 35 o 49.242  3.7374  297.132    44.321   310.089    73.496   289.727    55.560   49.888  6.2057  48.465  4.7873  1.423512       7.837671 
1 1 1 -7  -34 36 o 27.061  5.2247  92.635     33.063   169.509    56.302   52.171     40.848   36.577  6.5861  21.014  6.9162  15.56349       9.550417 
1 1 1 -7  -34 37 o 67.469  3.5437  556.289    57.810   570.733    91.859   546.817    74.389   67.975  5.6198  66.721  4.6235  1.253952       7.277298 
1 1 1 -7  -34 38 o 56.247  3.6567  387.452    49.636   387.888    80.544   387.185    63.025   55.833  6.0418  56.062  4.6759  -0.2297783     7.639791 
1 1 1 -7  -34 39 o 48.052  3.8564  283.684    44.585   296.482    73.797   276.327    55.951   48.614  6.4128  47.228  4.9564  1.386139       8.104928 
1 1 1 -7  -34 40 o 126.637 3.8842  1959.07    119.352  2014.46    181.425  1916.81    158.472  127.859 5.8479  124.915 5.2284  2.943871       7.844421 
1 1 1 -7  -34 41 o 73.760  3.5710  664.188    63.910   645.217    101.785  676.536    82.115   72.091  5.8699  74.155  4.5863  -2.064163      7.449125 
1 1 1 -7  -34 42 o 94.688  5.4284  1108.07    124.198  1080.96    191.433  1127.78    163.209  92.232  8.6553  94.901  7.1401  -2.669388      11.22029 
1 1 1 -7  -34 43 o 20.732  7.4171  46.547     47.267   36.140     84.130   51.347     57.137   23.566  9.5187  22.198  8.1250  1.367731       12.51481 
1 1 1 -7  -34 44 o 111.883 5.6400  1550.96    152.618  1384.82    231.825  1678.03    202.754  103.862 9.2973  115.607 7.2650  -11.74462      11.79915 
1 1 1 -7  -34 45 o 28.943  5.2847  106.463    35.746   63.335     65.360   124.867    42.697   24.085  8.7090  31.275  5.8412  -7.190357      10.48654 
1 1 1 -7  -34 46 f 49.455  4.1258  301.979    49.057   222.802    82.792   344.819    60.900   41.208  8.5600  52.712  4.8147  -11.50372      9.821110 
1 1 1 -7  -34 47 o 40.201  4.5430  201.164    43.537   218.175    75.886   192.818    53.156   40.940  7.9256  39.043  5.7863  1.897633       9.813029 
1 1 1 -7  -34 48 o 25.920  6.0979  86.810     37.710   55.787     65.038   102.522    46.284   23.260  8.6412  28.080  6.8533  -4.819942      11.02899 
1 1 1 -7  -34 49 o 85.508  3.8846  896.614    80.597   737.538    128.331  1000.23    103.571  76.357  7.0047  89.954  4.7621  -13.59710      8.470119 
1 1 1 -7  -34 50 o 99.402  5.4580  1229.01    131.139  1169.44    216.991  1263.29    164.599  94.583  9.5875  100.102 6.8174  -5.518799      11.76425 
1 1 1 -7  -34 51 o 50.145  6.3828  319.484    75.900   236.652    131.426  360.935    92.972   41.193  12.248  52.939  7.4435  -11.74616      14.33267 
1 1 1 -7  -34 52 o 83.920  4.0089  866.181    81.631   769.127    133.232  924.512    103.289  77.652  7.1515  86.258  4.9559  -8.605659      8.700864 
1 1 1 -7  -34 53 o 61.758  4.2062  472.347    62.654   441.448    106.325  488.784    77.549   58.326  7.7013  62.512  5.1587  -4.186195      9.269390 
1 1 1 -7  -34 54 o 84.884  3.9622  887.782    81.607   891.805    137.305  885.584    101.476  83.583  6.8299  84.267  4.9851  -0.6842499     8.455741 
1 1 1 -7  -34 55 o 87.664  3.9803  948.064    84.664   1035.76    142.964  900.700    105.069  90.135  6.5824  84.842  5.1280  5.292992       8.344112 
1 1 1 -7  -34 56 o 55.418  4.3551  382.818    58.090   343.101    104.823  400.421    69.785   50.397  8.8974  56.389  5.1575  -5.991901      10.28412 
1 1 1 -7  -34 57 f 38.563  6.2422  192.994    56.411   228.757    103.482  177.873    67.288   40.081  10.511  36.353  7.8577  3.728096       13.12335 
1 1 1 -7  -34 58 o 25.526  7.6312  86.585     50.915   21.426     95.299   112.614    60.232   22.904  9.7574  28.814  8.2146  -5.910118      12.75487 
1 1 1 -7  -34 59 o 15.364  6.6471  -1.1476    45.532   27.072     89.552   -10.9862   52.877   22.684  9.5512  15.781  6.9852  6.903287       11.83298 
1 1 1 -7  -34 60 o 40.166  8.1247  218.692    76.461   254.209    131.071  200.371    94.139   41.134  12.232  37.502  10.114  3.631771       15.87162 
1 1 1 -7  -34 61 o 28.401  9.0594  108.912    70.406   90.605     118.816  118.818    87.404   28.828  11.423  29.717  10.122  -0.8889389     15.26273 
1 1 1 -7  -34 62 o 45.360  6.0047  265.096    64.464   188.703    122.004  294.683    75.928   36.042  11.957  47.500  6.7803  -11.45839      13.74575 
1 1 1 -7  -34 63 o 17.649  7.7200  -4.3805    62.839   -73.1553   94.944   49.232     83.827   18.257  8.5503  23.685  9.5244  -5.427999      12.79933 
1 1 1 -7  -34 64 o 57.284  17.742  607.399    271.978  607.399    271.978  0.0000     0.0000   57.284  17.742  ?       ?       0.000000       17.74209 
1 1 1 -7  -34 65 o 77.342  7.0545  784.527    130.930  1100.23    291.969  705.060    146.484  81.776  15.276  72.069  8.5432  9.707733       17.50284 
1 1 1 -7  -33 1  o 113.776 4.1011  1580.60    113.218  1580.23    163.747  1580.93    156.713  113.204 5.9826  113.308 5.7185  -0.1040344     8.276082 
1 1 1 -7  -33 2  o 97.446  3.9950  1158.46    94.458   1049.55    136.647  1258.12    130.718  92.207  6.1428  101.192 5.3428  -8.985245      8.141173 
1 1 1 -7  -33 3  o 76.235  4.0042  710.634    73.810   706.207    105.848  714.824    102.977  75.672  5.8091  76.175  5.6109  -0.5038757     8.076394 
1 1 1 -7  -33 4  o 87.877  3.9467  941.162    84.153   902.531    121.109  977.227    117.017  85.625  5.8646  89.202  5.4323  -3.577545      7.993931 
1 1 1 -7  -33 5  o 30.247  8.1070  116.842    60.709   116.842    60.709   0.0000     0.0000   30.247  8.1070  ?       ?       0.000000       8.107038 
1 1 1 -7  -33 6  o 39.091  7.1568  193.446    65.381   193.446    65.381   0.0000     0.0000   39.091  7.1568  ?       ?       0.000000       7.156837 
1 1 1 -7  -33 7  o 135.018 4.1702  2220.53    136.618  2131.62    196.420  2303.85    190.146  131.981 6.1336  137.288 5.7081  -5.307510      8.378707 
1 1 1 -7  -33 8  o 171.673 4.5772  3591.58    190.663  3621.01    274.085  3563.99    265.400  171.967 6.5686  170.645 6.4098  1.322052       9.177829 
1 1 1 -7  -33 9  o 69.864  3.7837  595.597    63.902   582.815    95.973   605.776    85.647   68.837  5.8000  70.302  5.0546  -1.464973      7.693420 
1 1 1 -7  -33 10 o 110.596 3.8930  1488.24    104.470  1466.53    153.500  1506.98    142.588  109.442 5.8011  111.154 5.2868  -1.712265      7.848806 
1 1 1 -7  -33 11 o 75.770  3.7251  698.292    68.486   714.914    102.560  684.914    92.006   76.346  5.5749  74.786  5.1007  1.559929       7.556255 
1 1 1 -7  -33 12 o 62.277  3.8904  473.623    58.493   559.104    88.570   407.501    77.897   67.491  5.4551  57.521  5.6543  9.970379       7.856836 
1 1 1 -7  -33 13 o 55.219  3.9376  372.777    52.412   418.494    79.576   337.749    69.656   58.296  5.6986  52.332  5.5712  5.963921       7.969464 
1 1 1 -7  -33 14 o 122.723 3.9466  1831.97    117.519  1930.82    170.454  1742.41    162.243  125.827 5.5831  119.529 5.5941  6.298058       7.903443 
1 1 1 -7  -33 15 o 18.952  6.1819  42.193     32.662   91.827     52.930   11.671     41.507   27.046  7.6972  16.275  6.6444  10.77107       10.16827 
1 1 1 -7  -33 16 o 208.947 9.8416  5379.61    498.957  0.0000     0.0000   5379.61    498.957  ?       ?       208.947 9.8416  0.000000       9.841552 
1 1 1 -7  -33 17 o 137.355 5.6886  2300.69    189.590  0.0000     0.0000   2300.69    189.590  ?       ?       137.355 5.6886  0.000000       5.688625 
1 1 1 -7  -33 18 o 73.265  5.1291  657.086    90.605   0.0000     0.0000   657.086    90.605   ?       ?       73.265  5.1291  0.000000       5.129085 
1 1 1 -7  -33 19 o 185.716 4.6970  4198.94    211.660  4370.02    303.081  4036.07    295.719  189.143 6.6040  181.753 6.7055  7.389587       9.411524 
1 1 1 -7  -33 20 o 33.824  4.8431  142.113    38.613   73.663     55.522   206.232    53.737   24.895  8.0560  40.757  5.5804  -15.86172      9.799990 
1 1 1 -7  -33 21 o 186.655 4.6670  4241.27    211.369  4206.51    299.630  4275.70    298.217  185.561 6.6548  187.098 6.5690  -1.536346      9.350815 
1 1 1 -7  -33 22 o 67.066  3.7857  548.647    61.352   508.239    87.250   588.170    86.288   64.319  5.6478  69.292  5.1694  -4.972946      7.656445 
1 1 1 -7  -33 23 f 135.986 5.6615  2254.94    186.807  2259.09    254.396  2250.09    275.198  135.594 7.7646  135.169 8.4329  0.4240265      11.46306 
1 1 1 -7  -33 24 o 210.688 7.1185  5429.23    363.906  5482.59    503.978  5371.09    526.011  210.943 9.8465  208.604 10.392  2.338333       14.31614 
1 1 1 -7  -33 25 o 22.051  7.7364  52.594     51.201   51.926     66.014   53.603     81.116   23.423  8.7050  25.064  9.5753  -1.640394      12.94081 
1 1 1 -7  -33 26 o 127.598 5.5579  1985.42    172.074  1919.84    234.516  2061.90    253.264  124.934 7.7747  129.415 8.1063  -4.480789      11.23203 
1 1 1 -7  -33 27 o 55.864  5.7293  384.658    76.560   324.804    101.696  462.957    116.316  50.755  8.5625  60.923  8.0669  -10.16854      11.76396 
1 1 1 -7  -33 28 o 67.344  5.5402  556.864    89.727   523.484    118.704  601.358    137.049  64.912  7.6858  69.511  8.2891  -4.598907      11.30404 
1 1 1 -7  -33 29 o 72.321  3.7458  637.865    65.507   703.890    94.282   576.246    91.082   75.814  5.1559  68.509  5.5262  7.304489       7.557930 
1 1 1 -7  -33 30 o 113.873 3.8625  1577.63    106.723  1490.81    152.298  1661.39    149.596  110.366 5.7067  116.713 5.2825  -6.347198      7.776279 
1 1 1 -7  -33 31 o 81.228  3.7095  802.674    73.111   855.613    104.592  752.094    102.236  83.596  5.1819  78.322  5.4129  5.274406       7.493462 
1 1 1 -7  -33 32 o 172.151 4.5163  3611.06    188.652  3554.39    267.889  3666.81    265.713  170.406 6.4790  173.116 6.3258  -2.709732      9.054942 
1 1 1 -7  -33 33 o 128.538 3.8489  2011.23    120.042  1890.45    179.394  2109.17    161.536  124.327 5.9467  131.467 5.0639  -7.140114      7.810691 
1 1 1 -7  -33 34 o 48.834  3.7738  292.048    44.368   337.771    73.052   265.325    55.849   52.224  5.8665  46.351  5.0475  5.873001       7.739045 
1 1 1 -7  -33 35 o 22.926  5.7792  66.828     32.139   68.495     55.787   66.000     39.320   24.215  8.0877  22.957  6.6653  1.258118       10.48032 
1 1 1 -7  -33 36 o 87.876  3.5138  940.214    74.923   953.969    116.091  930.396    98.085   88.131  5.4556  87.177  4.6538  0.9536285      7.170927 
1 1 1 -7  -33 37 o 76.811  3.4837  718.519    64.928   835.884    102.277  639.293    84.031   82.507  5.1343  72.168  4.8266  10.33898       7.046840 
1 1 1 -7  -33 38 o 99.124  3.6486  1197.52    87.753   1066.64    135.130  1292.96    115.397  92.999  6.0207  102.857 4.6238  -9.857841      7.591333 
1 1 1 -7  -33 39 o 121.784 3.8286  1809.24    113.135  1763.56    171.976  1844.09    150.216  119.782 5.9172  122.704 5.0454  -2.921692      7.776155 
1 1 1 -7  -33 40 o 131.509 3.8950  2111.21    124.287  2249.85    188.639  2004.86    165.218  135.268 5.7474  127.811 5.3275  7.457100       7.836763 
1 1 1 -7  -33 41 o 72.042  3.6406  634.943    63.432   530.087    101.672  701.768    81.166   65.184  6.5156  75.597  4.4444  -10.41365      7.887109 
1 1 1 -7  -33 42 o 112.857 4.5686  1560.65    125.106  1665.23    160.516  1398.81    199.679  116.260 5.6902  105.565 7.8517  10.69511       9.696799 
1 1 1 -7  -33 43 o 86.762  5.3070  929.775    111.185  1028.58    172.839  860.021    145.221  90.298  7.9703  82.772  7.3057  7.526016       10.81198 
1 1 1 -7  -33 44 o 94.684  5.4267  1108.62    124.155  1245.24    192.842  1011.89    162.255  99.261  8.0768  89.660  7.5279  9.601074       11.04101 
1 1 1 -7  -33 45 o 20.068  7.3080  41.969     46.141   17.081     78.575   55.068     57.004   21.585  9.0081  22.569  8.1375  -0.9837742     12.13938 
1 1 1 -7  -33 46 o 23.849  5.9869  73.206     34.593   108.434    64.430   58.937     41.004   28.979  8.5662  21.842  6.9080  7.137383       11.00456 
1 1 1 -7  -33 47 o 44.345  4.2851  243.473    45.532   241.597    77.061   244.479    56.438   43.275  7.6171  44.186  5.3748  -0.9108658     9.322504 
1 1 1 -7  -33 48 f 39.964  4.8222  199.372    45.815   203.129    76.943   197.308    57.027   39.375  8.3143  39.412  6.1655  -0.3612900E-01 10.35086 
1 1 1 -7  -33 49 o 37.222  5.1823  174.207    45.535   107.232    77.230   209.896    56.377   29.150  9.5058  40.738  5.8732  -11.58783      11.17386 
1 1 1 -7  -33 50 o 20.814  7.6459  45.121     50.663   102.209    86.486   15.296     62.512   29.023  10.062  19.402  8.0605  9.621330       12.89239 
1 1 1 -7  -33 51 o 21.554  7.7423  51.192     51.552   110.229    89.386   21.768     63.105   29.821  10.235  19.968  8.1770  9.852674       13.10066 
1 1 1 -7  -33 52 o 65.553  5.7215  538.698    90.093   469.705    157.877  572.015    109.711  58.417  11.547  67.116  6.8321  -8.699070      13.41725 
1 1 1 -7  -33 53 o 24.598  6.5959  78.789     40.176   96.018     74.289   71.667     47.763   27.669  9.3325  23.757  7.4477  3.911640       11.94003 
1 1 1 -7  -33 54 o 22.719  6.7406  66.429     39.836   -78.1893   74.547   124.232    47.129   15.670  7.4117  30.866  6.4984  -15.19565      9.857115 
1 1 1 -7  -33 55 o 131.130 4.3116  2124.93    137.185  1980.76    217.710  2219.87    176.672  124.371 7.2457  133.293 5.4626  -8.921669      9.074147 
1 1 1 -7  -33 56 o 82.451  4.0705  839.411    81.433   870.847    137.956  822.599    100.884  82.357  6.9690  81.045  5.1570  1.311897       8.669582 
1 1 1 -7  -33 57 o 58.311  4.3495  423.619    61.096   458.249    109.417  407.931    73.646   59.015  7.8348  56.811  5.4078  2.203629       9.519940 
1 1 1 -7  -33 58 o 18.225  7.1148  28.981     45.491   181.131    88.324   -25.9506   53.071   35.945  9.8395  14.870  6.7544  21.07553       11.93474 
1 1 1 -7  -33 59 o 39.626  6.3078  204.109    58.616   224.847    111.051  196.100    69.014   39.388  11.128  38.240  7.7043  1.148743       13.53481 
1 1 1 -7  -33 60 o 32.741  8.7803  147.713    71.188   107.282    125.585  166.855    86.412   30.306  11.824  34.457  9.8448  -4.150446      15.38599 
1 1 1 -7  -33 61 o 21.404  8.4628  40.581     65.082   27.375     113.359  47.074     79.487   24.809  10.607  23.228  9.2978  1.580389       14.10532 
1 1 1 -7  -33 62 f 47.744  5.8199  291.853    66.026   378.540    125.283  258.517    77.691   51.890  10.314  44.141  7.5236  7.749096       12.76637 
1 1 1 -7  -33 63 o 26.683  10.768  66.489     107.573  66.489     107.573  0.0000     0.0000   26.683  10.768  ?       ?       0.000000       10.76844 
1 1 1 -7  -33 64 o 69.140  10.059  665.349    163.802  665.349    163.802  0.0000     0.0000   69.140  10.059  ?       ?       0.000000       10.05897 
1 1 1 -7  -33 65 o 62.545  7.9628  523.111    118.103  209.630    292.888  583.980    129.061  39.024  16.871  65.905  8.2515  -26.88088      18.78122 
1 1 1 -7  -32 1  o 49.778  7.2439  311.508    84.928   297.911    163.980  316.492    99.281   47.557  13.553  49.873  8.5096  -2.315887      16.00286 
1 1 1 -7  -32 2  o 110.206 5.9828  1492.42    159.382  1369.16    263.485  1563.55    200.153  104.138 10.574  112.444 7.3770  -8.305847      12.89314 
1 1 1 -7  -32 3  o 102.964 5.8929  1301.65    146.612  1445.03    245.729  1222.40    182.693  107.516 9.5177  99.365  7.6359  8.150238       12.20218 
1 1 1 -7  -32 4  o 34.158  12.918  110.545    146.680  110.545    146.680  0.0000     0.0000   34.158  12.918  ?       ?       0.000000       12.91759 
1 1 1 -7  -32 5  o 140.316 9.9286  2450.14    335.852  2450.14    335.852  0.0000     0.0000   140.316 9.9286  ?       ?       0.000000       9.928617 
1 1 1 -7  -32 6  o 77.228  5.9844  732.970    111.264  605.565    197.182  792.485    134.769  68.684  12.283  80.138  7.0012  -11.45445      14.13791 
1 1 1 -7  -32 7  o 46.235  7.7473  269.100    83.837   149.780    151.865  321.405    100.547  37.143  13.294  50.468  8.5138  -13.32464      15.78666 
1 1 1 -7  -32 8  o 90.000  5.6696  992.075    123.177  1152.32    211.584  909.922    151.497  96.335  9.1621  85.894  7.3396  10.44189       11.73936 
1 1 1 -7  -32 9  o 166.836 8.6277  3427.80    348.065  0.0000     0.0000   3427.80    348.065  ?       ?       166.836 8.6277  0.000000       8.627688 
1 1 1 -7  -32 10 o 117.107 5.7498  1672.65    163.381  1683.92    263.529  1665.62    208.229  116.626 9.3922  116.428 7.4094  0.1980438      11.96296 
1 1 1 -7  -32 11 o 45.145  5.1405  251.461    55.306   261.512    149.746  249.873    59.514   45.275  12.968  44.934  5.5785  0.3409805      14.11678 
1 1 1 -7  -32 12 o 93.333  3.7606  1059.09    85.164   1195.47    125.814  943.757    115.700  98.921  5.2607  87.833  5.4559  11.08720       7.579016 
1 1 1 -7  -32 13 o 113.239 3.8836  1559.19    106.708  1749.31    155.935  1391.75    146.338  119.823 5.3634  106.702 5.6726  13.12053       7.806693 
1 1 1 -7  -32 14 o 198.259 4.8645  4785.15    234.011  5049.03    334.272  4531.54    327.708  203.324 6.7756  192.577 7.0133  10.74698       9.751640 
1 1 1 -7  -32 15 o 201.545 6.9197  4961.98    338.396  0.0000     0.0000   4961.98    338.396  ?       ?       201.545 6.9197  0.000000       6.919749 
1 1 1 -7  -32 16 o 141.234 5.7123  2431.20    195.756  0.0000     0.0000   2431.20    195.756  ?       ?       141.234 5.7123  0.000000       5.712325 
1 1 1 -7  -32 17 o 290.980 8.9862  10389.04   634.456  0.0000     0.0000   10389.04   634.456  ?       ?       290.980 8.9862  0.000000       8.986174 
1 1 1 -7  -32 18 o 138.067 4.0935  2318.10    137.137  2483.33    197.866  2165.36    190.240  142.745 5.7128  133.275 5.8829  9.470032       8.200247 
1 1 1 -7  -32 19 o 142.793 4.0666  2479.43    140.898  2431.53    200.182  2526.47    198.349  141.234 5.8414  143.984 5.6774  -2.749649      8.145911 
1 1 1 -7  -32 20 o 144.143 4.1182  2526.68    144.033  2603.93    204.545  2450.70    202.852  146.164 5.7674  141.784 5.8964  4.380722       8.248116 
1 1 1 -7  -32 21 o 139.678 4.0537  2372.40    137.387  2292.68    194.960  2451.04    193.635  137.140 5.8589  141.824 5.6269  -4.683334      8.123382 
1 1 1 -7  -32 22 o 305.931 6.5687  11423.67   487.601  11241.19   690.463  11605.20   688.683  302.521 9.4063  307.450 9.2317  -4.928528      13.17965 
1 1 1 -7  -32 23 o 135.472 3.9958  2231.59    131.345  2225.39    187.007  2237.62    184.517  135.126 5.7037  135.507 5.6119  -0.3805542     8.001607 
1 1 1 -7  -32 24 o 207.251 5.6775  5235.10    285.507  5551.11    488.787  5071.45    351.751  212.546 9.4777  203.719 7.1160  8.826019       11.85180 
1 1 1 -7  -32 25 o 203.749 6.9619  5071.84    344.182  5183.99    477.052  4950.08    497.060  205.353 9.5742  200.220 10.266  5.132172       14.03761 
1 1 1 -7  -32 26 o 101.930 5.3666  1269.31    132.262  1297.02    178.665  1235.72    196.730  102.757 7.2115  100.109 8.1703  2.647850       10.89770 
1 1 1 -7  -32 27 o 92.080  5.2610  1036.27    117.056  943.774    157.637  1149.95    174.768  87.517  7.4957  96.664  7.5103  -9.147148      10.61082 
1 1 1 -7  -32 28 o 46.923  6.4419  273.762    71.408   290.510    93.138   249.877    111.226  48.016  8.2942  44.140  10.532  3.875698       13.40575 
1 1 1 -7  -32 29 o 115.592 5.5320  1628.95    155.158  1674.37    211.116  1575.61    228.803  116.722 7.4938  113.025 8.4031  3.697762       11.25924 
1 1 1 -7  -32 30 o 171.330 4.4523  3572.95    185.090  3563.67    263.220  3582.03    260.317  170.818 6.3507  171.273 6.2640  -0.4550323     8.920141 
1 1 1 -7  -32 31 o 79.644  3.7324  771.415    72.128   810.579    103.799  734.846    100.301  81.373  5.2858  77.450  5.3704  3.922615       7.535317 
1 1 1 -7  -32 32 o 52.809  3.7093  340.850    47.228   382.388    76.061   314.787    60.250   55.689  5.7097  50.583  4.9732  5.105961       7.571887 
1 1 1 -7  -32 33 o 69.500  3.5309  588.934    59.348   510.421    92.613   643.637    77.306   64.364  5.9993  72.567  4.4114  -8.203194      7.446607 
1 1 1 -7  -32 34 o 146.188 4.0072  2601.51    142.141  2753.16    211.292  2476.14    192.109  150.111 5.8010  142.400 5.5600  7.711502       8.035258 
1 1 1 -7  -32 35 o 32.973  4.7206  135.233    36.690   113.520    62.922   146.419    45.163   29.918  8.3499  34.174  5.6436  -4.255758      10.07822 
1 1 1 -7  -32 36 o 97.141  3.5442  1148.44    83.539   1260.11    128.421  1066.52    109.992  101.434 5.2357  93.357  4.8726  8.077080       7.152240 
1 1 1 -7  -32 37 o 103.723 3.6255  1309.94    91.244   1352.28    139.554  1278.32    120.590  105.001 5.4967  102.317 4.8574  2.683685       7.335335 
1 1 1 -7  -32 38 o 51.927  3.7428  330.192    46.841   289.904    75.555   355.344    59.698   48.127  6.6475  53.752  4.6222  -5.624725      8.096557 
1 1 1 -7  -32 39 o 105.058 3.6473  1344.94    92.974   1348.32    142.845  1342.46    122.465  104.722 5.6424  104.789 4.8165  -0.6711578E-01 7.418623 
1 1 1 -7  -32 40 o 121.276 3.7912  1793.72    111.563  1937.19    170.455  1686.20    147.558  125.649 5.5909  117.320 5.1835  8.329239       7.624146 
1 1 1 -7  -32 41 o 79.337  3.5964  767.577    69.233   701.914    110.080  810.549    89.051   75.276  6.0787  81.282  4.5333  -6.005531      7.582942 
1 1 1 -7  -32 42 o 95.564  3.6721  1114.45    85.149   1055.05    133.124  1155.58    110.771  92.358  5.9724  97.131  4.7001  -4.773399      7.600028 
1 1 1 -7  -32 43 o 58.549  5.6346  425.801    79.059   329.338    127.951  485.370    100.549  49.864  10.881  62.242  6.7668  -12.37858      12.81368 
1 1 1 -7  -32 44 o 60.044  5.5292  447.727    79.651   469.033    126.251  433.639    102.661  60.423  8.8758  58.559  7.3897  1.863579       11.54936 
1 1 1 -7  -32 45 o 47.873  5.9696  287.481    67.836   311.821    109.163  272.170    86.583   48.765  9.5675  45.962  8.0575  2.803356       12.50842 
1 1 1 -7  -32 46 o 35.204  5.1961  155.777    43.051   35.593     100.770  182.610    47.614   25.151  10.320  38.150  5.2857  -12.99926      11.59499 
1 1 1 -7  -32 47 o 31.526  5.6395  126.355    41.555   96.384     68.171   144.076    52.420   27.749  8.9211  33.464  6.6897  -5.715307      11.15071 
1 1 1 -7  -32 48 o 47.528  4.3702  279.496    49.833   285.185    81.860   276.147    62.813   47.195  7.3911  46.942  5.6269  0.2525711      9.289251 
1 1 1 -7  -32 49 o 79.008  3.9052  764.636    74.864   744.768    120.099  777.262    95.742   77.082  6.4815  79.266  5.0037  -2.184044      8.188184 
1 1 1 -7  -32 50 o 50.788  4.2899  318.917    52.370   454.709    88.513   245.775    64.961   60.182  6.1478  44.038  6.2551  16.14374       8.770506 
1 1 1 -7  -32 51 o 104.093 5.5189  1346.15    138.894  1331.07    228.007  1355.04    175.141  101.311 9.3818  103.704 7.0013  -2.392593      11.70625 
1 1 1 -7  -32 52 o 69.686  5.3738  605.228    90.163   611.047    159.982  602.519    109.149  67.905  10.010  69.073  6.5926  -1.167290      11.98580 
1 1 1 -7  -32 53 o 49.458  4.5316  304.087    53.778   244.878    95.871   331.270    64.960   42.658  9.5055  51.425  5.2810  -8.767147      10.87397 
1 1 1 -7  -32 54 f 46.374  4.7023  268.507    52.180   268.693    95.168   268.427    62.395   44.800  9.0660  46.067  5.7041  -1.266148      10.71117 
1 1 1 -7  -32 55 o 44.067  4.8449  243.491    50.948   361.382    94.417   195.063    60.515   52.710  7.6022  38.811  6.6663  13.89886       10.11102 
1 1 1 -7  -32 56 o 72.218  4.1597  645.853    72.583   680.414    129.437  630.001    87.662   72.554  7.4586  70.952  5.1264  1.601936       9.050500 
1 1 1 -7  -32 57 o 78.013  4.1347  754.037    77.986   686.187    137.458  786.243    94.703   72.417  7.9539  79.315  4.9455  -6.898193      9.366029 
1 1 1 -7  -32 58 o 33.759  7.1206  151.114    56.492   252.398    115.795  119.478    64.716   41.912  11.180  29.720  8.5287  12.19252       14.06178 
1 1 1 -7  -32 59 o 56.235  5.1724  398.942    69.786   440.385    135.370  383.941    81.443   56.186  10.310  54.686  6.2500  1.499336       12.05612 
1 1 1 -7  -32 60 o 46.589  5.8597  278.019    64.775   335.686    127.968  258.154    75.107   48.314  11.143  44.271  7.2424  4.042805       13.29017 
1 1 1 -7  -32 61 o 53.863  7.3169  380.189    93.152   240.675    170.030  440.022    111.349  39.963  14.092  57.479  8.2178  -17.51574      16.31291 
1 1 1 -7  -32 62 o 51.345  13.870  407.797    176.875  407.797    176.875  0.0000     0.0000   51.345  13.870  ?       ?       0.000000       13.86999 
1 1 1 -7  -32 63 o 52.113  11.582  393.467    142.649  393.467    142.649  0.0000     0.0000   52.113  11.582  ?       ?       0.000000       11.58181 
1 1 1 -7  -32 64 o 67.099  5.0637  566.792    81.834   585.017    164.568  560.805    94.323   64.217  10.955  66.303  5.9254  -2.086441      12.45452 
1 1 1 -7  -32 65 o 66.933  7.7821  593.853    124.029  829.788    301.034  545.614    136.119  67.763  18.003  63.146  9.1506  4.616257       20.19511 
1 1 1 -7  -31 1  o 33.684  8.8572  145.336    73.354   142.449    153.144  146.195    83.563   36.549  13.313  33.903  9.6793  2.646343       16.46012 
1 1 1 -7  -31 2  o 136.104 6.1672  2266.23    203.667  2220.56    325.966  2295.47    260.852  133.423 10.145  136.392 7.9161  -2.968872      12.86785 
1 1 1 -7  -31 3  o 59.900  12.894  465.834    181.852  465.834    181.852  0.0000     0.0000   59.900  12.894  ?       ?       0.000000       12.89380 
1 1 1 -7  -31 4  o 150.547 9.8815  2810.64    358.956  2810.64    358.956  0.0000     0.0000   150.547 9.8815  ?       ?       0.000000       9.881500 
1 1 1 -7  -31 5  o 83.809  5.8686  861.345    118.588  848.473    206.816  867.651    144.747  82.190  10.619  83.896  7.1798  -1.705498      12.81828 
1 1 1 -7  -31 6  o 186.743 6.8307  4263.03    309.508  4399.81    467.062  4155.94    413.277  188.562 10.247  183.563 9.3093  4.999191       13.84415 
1 1 1 -7  -31 7  o 202.637 7.0665  5020.29    347.445  5388.45    520.601  4724.61    466.553  209.045 10.264  195.631 9.8605  13.41405       14.23275 
1 1 1 -7  -31 8  f 26.787  8.1254  88.386     57.416   97.437     139.012  86.525     63.044   33.030  12.555  26.845  8.5737  6.184217       15.20317 
1 1 1 -7  -31 9  o 137.467 5.8580  2303.97    195.394  3153.71    307.227  1726.82    253.200  160.511 7.8884  118.310 8.8851  42.20016       11.88158 
1 1 1 -7  -31 10 o 119.947 5.7197  1753.48    166.468  1794.48    266.293  1727.18    213.278  120.574 9.1709  118.628 7.4474  1.945923       11.81390 
1 1 1 -7  -31 11 o 166.374 6.3212  3376.58    255.183  3726.27    387.571  3108.97    339.045  174.012 9.2121  158.999 8.8228  15.01245       12.75559 
1 1 1 -7  -31 12 o 221.134 7.4109  5976.38    397.643  6189.98    585.709  5793.75    541.583  224.141 10.770  216.995 10.286  7.146439       14.89251 
1 1 1 -7  -31 13 o 103.460 5.5425  1307.56    138.630  1297.42    223.630  1313.89    176.671  102.465 9.0892  103.488 7.0783  -1.022881      11.52020 
1 1 1 -7  -31 14 o 128.703 7.5894  2031.60    235.959  0.0000     0.0000   2031.60    235.959  ?       ?       128.703 7.5894  0.000000       7.589447 
1 1 1 -7  -31 15 o 148.035 5.8054  2670.25    208.528  0.0000     0.0000   2670.25    208.528  ?       ?       148.035 5.8054  0.000000       5.805447 
1 1 1 -7  -31 16 o 29.587  6.6295  111.005    46.413   0.0000     0.0000   111.005    46.413   ?       ?       29.587  6.6295  0.000000       6.629471 
1 1 1 -7  -31 17 o 110.331 3.7886  1479.55    101.424  1502.12    147.775  1459.44    139.458  111.059 5.4838  109.487 5.2495  1.571907       7.591396 
1 1 1 -7  -31 18 o 44.385  3.9576  241.371    42.175   193.228    59.835   288.906    59.455   39.291  6.5038  48.449  5.1359  -9.158024      8.287160 
1 1 1 -7  -31 19 o 15.504  5.5501  24.739     26.470   55.493     37.753   -5.0000    37.124   21.372  6.6086  13.884  6.0045  7.488123       8.929093 
1 1 1 -7  -31 20 o 48.155  3.7299  283.514    43.242   273.726    61.466   293.105    60.846   47.095  5.4814  48.792  5.2204  -1.697220      7.569627 
1 1 1 -7  -31 21 o 107.647 3.6858  1408.29    96.271   1308.94    137.131  1504.84    135.186  103.529 5.4784  111.195 5.0105  -7.665573      7.424184 
1 1 1 -7  -31 22 o 38.238  4.5267  180.328    41.184   194.971    59.137   166.538    57.389   39.490  6.3900  36.371  6.7515  3.119190       9.295936 
1 1 1 -7  -31 23 o 155.903 4.2138  2955.51    159.402  2958.58    226.450  2952.49    224.421  155.803 5.9901  155.648 5.9423  0.1549377      8.437569 
1 1 1 -7  -31 24 o 129.023 3.9027  2023.59    122.177  1906.57    173.233  2139.40    172.339  125.096 5.7072  132.548 5.3586  -7.451645      7.828554 
1 1 1 -7  -31 25 o 101.894 3.6965  1261.85    91.390   1270.01    129.673  1253.79    128.820  101.995 5.2576  101.340 5.2569  0.6548462      7.434862 
1 1 1 -7  -31 26 o 223.250 7.3629  6090.34    398.846  6014.62    555.464  6170.94    573.055  221.085 10.355  223.880 10.549  -2.794815      14.78184 
1 1 1 -7  -31 27 o 164.112 6.1550  3284.29    245.095  3209.45    338.455  3366.82    355.399  161.602 8.6631  165.473 8.8842  -3.871002      12.40879 
1 1 1 -7  -31 28 o 115.761 5.5036  1632.60    154.587  1847.25    211.855  1388.17    226.076  122.757 7.1435  106.033 8.8686  16.72446       11.38781 
1 1 1 -7  -31 29 o 131.576 5.6820  2110.00    181.402  1869.83    247.778  2387.43    266.307  123.264 8.3334  139.443 7.9034  -16.17896      11.48513 
1 1 1 -7  -31 30 o 15.603  6.8001  -9.3657    48.359   21.877     60.699   -63.6570   80.015   20.068  8.0924  17.497  8.0755  2.571503       11.43244 
1 1 1 -7  -31 31 o 204.486 4.8427  5091.23    240.278  5080.43    349.062  5100.97    331.246  203.859 7.0568  204.351 6.6805  -0.4921722     9.717420 
1 1 1 -7  -31 32 o 171.769 4.3424  3590.39    180.981  3674.57    265.437  3517.26    247.405  173.479 6.3060  169.776 6.0058  3.703629       8.708293 
1 1 1 -7  -31 33 o 77.501  3.5181  730.242    66.158   592.481    102.479  828.682    86.628   69.392  6.1502  82.400  4.3481  -13.00842      7.531993 
1 1 1 -7  -31 34 o 142.082 4.7445  2459.22    163.566  2367.82    204.900  2619.78    271.568  139.236 6.0650  145.964 7.6950  -6.727814      9.797768 
1 1 1 -7  -31 35 o 59.500  3.6158  432.189    51.954   492.450    83.037   393.424    66.600   63.293  5.4604  56.603  4.8975  6.690289       7.334904 
1 1 1 -7  -31 36 o 127.192 3.8361  1968.99    118.390  1980.18    178.175  1960.15    158.419  127.296 5.7686  126.743 5.1513  0.5528488      7.733835 
1 1 1 -7  -31 37 o 31.426  4.8418  123.259    35.734   68.955     60.704   152.056    44.205   24.644  8.4356  34.880  5.3974  -10.23653      10.01453 
1 1 1 -7  -31 38 o 102.890 3.6798  1288.96    91.867   1151.73    141.168  1389.78    120.992  96.783  6.0416  106.721 4.6724  -9.938454      7.637537 
1 1 1 -7  -31 39 o 99.643  4.0766  1210.45    98.563   1115.94    189.521  1245.49    115.396  94.601  8.3420  100.993 4.7091  -6.392288      9.579316 
1 1 1 -7  -31 40 o 127.122 3.8726  1970.11    119.450  1987.14    181.677  1957.14    158.534  127.268 5.8832  126.464 5.1664  0.8033600      7.829716 
1 1 1 -7  -31 41 o 123.083 3.8990  1847.96    116.445  1713.53    177.800  1948.94    154.089  117.866 6.2392  126.173 5.0332  -8.307281      8.016253 
1 1 1 -7  -31 42 o 30.564  4.9990  117.338    35.791   71.537     61.894   140.348    43.869   24.881  8.5178  33.366  5.6183  -8.484739      10.20386 
1 1 1 -7  -31 43 o 75.892  3.6312  702.732    66.867   666.460    106.832  726.095    85.739   73.301  6.0609  76.875  4.6179  -3.574150      7.619705 
1 1 1 -7  -31 44 f 146.650 6.0000  2652.96    213.499  2893.25    319.366  2458.81    287.073  151.536 8.7226  139.791 8.5039  11.74562       12.18199 
1 1 1 -7  -31 45 o 156.029 6.2138  3010.75    235.246  3151.24    350.919  2896.09    317.033  157.607 9.2164  151.459 8.6627  6.148392       12.64848 
1 1 1 -7  -31 46 o 110.332 5.6325  1505.54    150.287  1442.24    230.238  1552.54    198.379  106.426 9.0002  111.292 7.3883  -4.865555      11.64437 
1 1 1 -7  -31 47 o 90.387  3.7716  999.061    82.717   1018.47    132.824  986.764    105.720  90.498  6.0842  89.461  4.8888  1.037422       7.804992 
1 1 1 -7  -31 48 o 35.546  5.4785  159.390    45.733   131.590    79.098   173.351    56.052   31.830  9.5106  36.842  6.5082  -5.011898      11.52420 
1 1 1 -7  -31 49 o 20.336  6.7880  49.040     39.298   169.339    72.240   -1.5206    46.833   35.921  8.4327  15.799  6.7880  20.12222       10.82531 
1 1 1 -7  -31 50 o 60.229  4.6780  448.703    67.828   254.204    147.298  501.043    76.411   43.059  13.004  63.582  4.9930  -20.52355      13.92968 
1 1 1 -7  -31 51 o 150.954 6.1019  2832.68    223.497  3005.74    355.489  2719.56    287.401  152.514 9.6560  146.360 8.1248  6.154572       12.61949 
1 1 1 -7  -31 52 o 77.795  5.4322  752.943    101.897  686.094    181.816  783.554    123.035  71.719  10.782  78.962  6.4788  -7.242828      12.57848 
1 1 1 -7  -31 53 o 100.202 5.6002  1250.80    135.613  1103.21    232.951  1326.46    166.789  90.968  10.762  102.607 6.7367  -11.63865      12.69700 
1 1 1 -7  -31 54 o 50.733  4.9442  321.377    60.089   289.960    143.062  328.107    66.212   45.214  12.580  51.122  5.4205  -5.908585      13.69843 
1 1 1 -7  -31 55 f 46.800  4.6851  273.458    52.488   312.482    100.634  258.874    61.518   48.453  8.8872  45.206  5.7377  3.247627       10.57841 
1 1 1 -7  -31 56 o 57.263  4.3920  407.421    60.559   479.081    110.197  376.416    72.485   60.763  7.6433  54.645  5.5436  6.118317       9.442014 
1 1 1 -7  -31 57 o 60.896  4.3885  461.045    64.408   490.755    118.904  448.708    76.624   61.071  8.2340  59.725  5.3439  1.346027       9.816093 
1 1 1 -7  -31 58 o 30.148  7.5365  121.469    54.981   320.294    113.481  60.483     62.850   48.086  10.050  23.201  8.5170  24.88523       13.17341 
1 1 1 -7  -31 59 o 54.715  5.2828  377.943    69.263   499.464    137.251  336.421    80.228   60.476  9.6798  51.024  6.6374  9.452694       11.73681 
1 1 1 -7  -31 60 o 72.881  4.8479  664.815    85.242   680.770    157.985  658.263    101.243  70.893  9.4174  72.025  5.8436  -1.131439      11.08311 
1 1 1 -7  -31 61 o 93.145  6.4304  1108.06    144.441  1185.09    239.521  1064.03    181.070  92.224  10.915  89.699  8.4180  2.525879       13.78440 
1 1 1 -7  -31 62 o 53.758  13.735  441.228    179.821  441.228    179.821  0.0000     0.0000   53.758  13.735  ?       ?       0.000000       13.73530 
1 1 1 -7  -31 63 o 89.864  4.7049  1007.55    102.232  984.750    192.181  1016.54    120.731  85.414  9.4302  89.772  5.5701  -4.357353      10.95235 
1 1 1 -7  -31 64 o 18.995  7.5800  28.196     52.658   59.133     119.490  20.740     58.661   27.110  11.194  19.048  7.8517  8.062031       13.67296 
1 1 1 -7  -31 65 o 36.965  10.422  195.523    97.506   10.888     269.780  223.266    104.575  33.092  15.108  39.354  10.679  -6.261707      18.50095 
1 1 1 -7  -30 1  o 88.753  3.9439  958.510    84.933   923.627    121.323  992.035    118.939  86.783  5.7949  90.004  5.4722  -3.221016      7.970337 
1 1 1 -7  -30 2  o 133.184 5.9568  2165.46    192.498  2165.46    192.498  0.0000     0.0000   133.184 5.9568  ?       ?       0.000000       5.956758 
1 1 1 -7  -30 3  o 100.440 5.7103  1234.36    138.590  1234.36    138.590  0.0000     0.0000   100.440 5.7103  ?       ?       0.000000       5.710276 
1 1 1 -7  -30 4  o 377.831 7.8581  17484.15   720.413  17113.78   1023.30  17848.10   1014.39  371.915 11.340  380.028 11.001  -8.112579      15.79887 
1 1 1 -7  -30 5  f 146.008 4.2358  2593.15    150.064  2680.03    216.540  2512.88    208.152  148.236 6.0203  143.545 5.9763  4.691498       8.482932 
1 1 1 -7  -30 6  o 208.721 5.7643  5309.90    291.932  5532.96    363.492  4904.58    489.980  212.818 7.0392  199.378 10.162  13.44026       12.36191 
1 1 1 -7  -30 7  o 96.413  4.3300  1130.59    101.294  1126.37    129.444  1137.25    162.694  95.992  5.5816  96.249  7.0147  -0.2563324     8.964433 
1 1 1 -7  -30 8  o 96.512  5.5663  1138.38    129.798  1229.52    217.161  1087.72    161.900  99.735  9.0729  94.107  7.1435  5.627762       11.54765 
1 1 1 -7  -30 9  o 156.207 6.1831  2974.78    234.355  3090.39    357.773  2887.89    310.158  158.452 9.3470  153.377 8.3657  5.074814       12.54403 
1 1 1 -7  -30 10 o 72.830  5.5254  649.656    96.915   679.959    169.412  634.914    118.160  73.821  9.6923  71.808  6.8653  2.013008       11.87743 
1 1 1 -7  -30 11 o 75.135  5.5496  691.196    100.458  992.128    173.396  539.156    123.249  89.720  8.0507  65.957  7.8557  23.76286       11.24838 
1 1 1 -7  -30 12 o 140.864 5.8769  2417.49    200.871  2766.84    309.552  2163.38    264.003  150.114 8.5338  132.738 8.2376  17.37619       11.86102 
1 1 1 -7  -30 13 o 105.395 7.1045  1361.89    180.625  0.0000     0.0000   1361.89    180.625  ?       ?       105.395 7.1045  0.000000       7.104527 
1 1 1 -7  -30 14 o 164.723 8.4873  3328.86    338.072  0.0000     0.0000   3328.86    338.072  ?       ?       164.723 8.4873  0.000000       8.487306 
1 1 1 -7  -30 15 o 94.453  6.8756  1094.11    156.494  0.0000     0.0000   1094.11    156.494  ?       ?       94.453  6.8756  0.000000       6.875579 
1 1 1 -7  -30 16 o 11.058  5.3289  -66.0377   42.555   50.328     111.196  -86.0051   46.062   27.763  11.035  10.902  5.3206  16.86090       12.25076 
1 1 1 -7  -30 17 o 184.725 6.5940  4161.13    295.554  3921.27    431.725  4372.70    405.463  178.458 10.011  188.978 8.8425  -10.52031      13.35681 
1 1 1 -7  -30 18 o 185.132 4.5959  4168.48    206.452  4274.46    292.938  4063.90    291.006  187.246 6.4476  182.559 6.5695  4.687088       9.204936 
1 1 1 -7  -30 19 o 188.969 4.6383  4343.25    212.676  4219.89    301.683  4465.13    299.863  186.013 6.6841  191.375 6.4576  -5.362198      9.293994 
1 1 1 -7  -30 20 o 180.736 4.5285  3972.56    198.590  3948.96    281.855  3995.82    279.854  179.974 6.4543  181.051 6.3704  -1.076218      9.068651 
1 1 1 -7  -30 21 o 9.2430  4.3129  -23.0415   23.796   -49.8334   33.875   3.0581     33.434   10.013  4.8073  13.937  5.8504  -3.924242      7.572140 
1 1 1 -7  -30 22 o 85.415  3.5515  886.449    73.606   822.859    104.553  948.935    103.642  82.052  5.2795  88.184  4.8625  -6.131470      7.177556 
1 1 1 -7  -30 23 o 164.562 4.2827  3292.63    171.005  3346.44    242.784  3239.64    240.902  165.723 6.0377  163.051 6.0891  2.671951       8.575013 
1 1 1 -7  -30 24 o 109.797 3.7293  1465.01    99.353   1380.52    141.576  1546.99    139.460  106.339 5.5059  112.746 5.0978  -6.407280      7.503502 
1 1 1 -7  -30 25 o 140.809 4.0270  2410.16    137.585  2385.23    195.736  2434.52    193.435  139.935 5.7648  141.386 5.6385  -1.450806      8.063832 
1 1 1 -7  -30 26 o 74.160  3.6534  668.323    65.740   626.295    94.831   707.206    91.215   71.507  5.5080  76.074  4.9689  -4.566887      7.418097 
1 1 1 -7  -30 27 o 69.737  3.6782  592.644    62.019   587.963    88.709   597.120    86.739   69.293  5.3167  69.852  5.1541  -0.5595932     7.404846 
1 1 1 -7  -30 28 o 160.004 6.1021  3120.60    236.904  2985.45    328.155  3267.71    342.362  155.886 8.7106  163.116 8.6814  -7.230392      12.29807 
1 1 1 -7  -30 29 o 90.122  5.3788  992.550    117.084  1028.46    157.212  947.830    175.448  91.498  7.1378  87.606  8.3550  3.891617       10.98879 
1 1 1 -7  -30 30 o 92.195  4.7693  1037.09    106.326  1128.84    161.741  967.266    141.098  95.897  6.9994  88.793  6.5962  7.104103       9.617794 
1 1 1 -7  -30 31 o 212.500 6.9430  5514.91    357.988  5392.12    520.559  5625.09    493.098  209.305 10.250  213.996 9.4965  -4.691086      13.97309 
1 1 1 -7  -30 32 o 152.789 4.0942  2839.01    151.785  2912.17    224.004  2776.90    206.389  154.535 5.9740  150.945 5.6351  3.589218       8.212389 
1 1 1 -7  -30 33 o 362.310 7.5308  16063.02   662.045  16068.21   946.920  16058.07   925.977  360.730 10.818  360.755 10.578  -0.2468872E-01 15.13091 
1 1 1 -7  -30 34 o 103.101 4.2961  1293.47    107.473  1415.50    136.292  1092.82    174.763  107.779 5.2116  94.150  7.7179  13.62950       9.312716 
1 1 1 -7  -30 35 o 126.378 3.8253  1942.59    117.302  1879.39    176.137  1992.95    157.245  124.094 5.8497  127.883 5.0676  -3.788651      7.739470 
1 1 1 -7  -30 36 o 90.233  3.5649  990.174    78.050   933.081    121.307  1030.50    101.956  87.236  5.7634  91.981  4.5682  -4.744385      7.354279 
1 1 1 -7  -30 37 o 60.152  3.7067  441.900    53.837   320.655    84.953   523.276    69.598   50.664  7.1060  65.394  4.4121  -14.72967      8.364321 
1 1 1 -7  -30 38 o 164.773 4.3346  3308.38    173.299  3217.07    256.869  3384.67    234.782  162.032 6.5335  166.370 5.8160  -4.338501      8.747162 
1 1 1 -7  -30 39 o 32.667  4.8097  132.989    36.982   66.284     63.440   167.326    45.517   24.550  8.6116  36.638  5.2718  -12.08788      10.09714 
1 1 1 -7  -30 40 o 172.206 4.4568  3618.51    186.224  3588.11    276.433  3643.78    251.984  170.874 6.6673  172.397 6.0239  -1.522827      8.985571 
1 1 1 -7  -30 41 o 54.535  3.8093  364.253    50.090   394.717    82.369   346.377    63.098   56.380  6.1193  52.995  4.9649  3.384861       7.880131 
1 1 1 -7  -30 42 o 68.899  3.7242  580.437    62.028   440.608    98.584   672.067    79.805   59.363  6.9774  74.033  4.4635  -14.67011      8.282959 
1 1 1 -7  -30 43 o 117.365 3.8619  1680.96    109.978  1603.08    170.249  1736.74    144.072  113.934 6.1815  119.063 4.9870  -5.129463      7.942379 
1 1 1 -7  -30 44 o 37.589  5.8517  177.875    51.634   193.264    71.843   161.434    74.260   38.731  7.9121  35.227  8.7318  3.503735       11.78330 
1 1 1 -7  -30 45 o 100.850 5.4818  1254.76    133.637  1354.69    204.632  1180.45    176.463  103.762 8.1945  97.086  7.5502  6.675568       11.14249 
1 1 1 -7  -30 46 o 104.100 5.5387  1338.51    139.397  1302.68    214.445  1364.72    183.441  101.334 8.8092  104.449 7.2838  -3.114563      11.43047 
1 1 1 -7  -30 47 o 98.152  5.4951  1190.99    130.343  1276.49    202.123  1130.12    170.540  100.418 8.3718  94.855  7.4702  5.563370       11.22009 
1 1 1 -7  -30 48 o 72.779  3.9775  650.114    69.974   541.141    116.193  712.125    87.650   65.406  7.4546  75.992  4.7779  -10.58576      8.854360 
1 1 1 -7  -30 49 o 38.768  5.1409  188.167    47.167   256.478    83.930   156.635    57.023   44.542  8.0625  34.870  6.9831  9.672771       10.66623 
1 1 1 -7  -30 50 o 55.823  4.1930  384.106    56.380   375.799    100.126  387.963    68.224   54.175  7.8454  55.901  5.0855  -1.725777      9.349488 
1 1 1 -7  -30 51 o 125.658 4.8717  1944.16    148.536  1947.09    201.148  1940.65    220.275  124.794 6.6671  124.197 7.3422  0.5967789      9.917514 
1 1 1 -7  -30 52 o 88.917  5.3792  981.073    115.509  1136.68    202.590  906.121    140.602  93.927  8.9994  84.834  6.8901  9.092590       11.33415 
1 1 1 -7  -30 53 o 64.739  5.6377  523.739    87.674   446.227    163.350  555.104    103.910  56.807  12.214  66.338  6.5406  -9.530819      13.85510 
1 1 1 -7  -30 54 o 73.678  4.0933  669.174    72.888   695.109    127.510  656.587    88.832   73.903  7.2024  72.674  5.0694  1.229164       8.807565 
1 1 1 -7  -30 55 o 54.832  4.4128  373.036    58.213   380.070    108.567  370.197    68.965   53.763  8.6132  54.359  5.2960  -0.5956078     10.11112 
1 1 1 -7  -30 56 o 61.167  4.2996  463.733    63.407   461.850    118.891  464.481    74.957   59.290  8.5081  60.951  5.1157  -1.661285      9.927597 
1 1 1 -7  -30 57 o 28.593  6.4651  107.048    43.802   188.611    92.117   83.219     49.791   36.986  10.017  25.264  7.5450  11.72189       12.54075 
1 1 1 -7  -30 58 o 24.352  7.0349  77.586     43.900   -27.7963   89.723   110.755    50.337   19.842  8.9192  28.890  7.2051  -9.048079      11.46587 
1 1 1 -7  -30 59 o 48.681  5.9683  302.661    69.021   361.322    156.285  288.448    76.929   49.311  12.910  47.105  6.9386  2.205940       14.65672 
1 1 1 -7  -30 60 o 79.249  4.6847  783.339    89.682   787.719    164.916  781.500    106.864  76.743  9.0292  78.681  5.6349  -1.938187      10.64324 
1 1 1 -7  -30 61 o 45.364  13.642  313.030    162.357  313.030    162.357  0.0000     0.0000   45.364  13.642  ?       ?       0.000000       13.64194 
1 1 1 -7  -30 62 o 44.042  13.750  294.186    162.978  294.186    162.978  0.0000     0.0000   44.042  13.750  ?       ?       0.000000       13.74958 
1 1 1 -7  -30 63 o 89.574  4.7737  1000.95    103.378  1015.44    191.601  994.999    122.783  87.083  9.2073  88.772  5.7309  -1.688751      10.84520 
1 1 1 -7  -30 64 o 34.575  7.5893  159.967    61.923   229.908    134.536  141.168    69.750   39.553  12.513  32.146  8.7210  7.406796       15.25246 
1 1 1 -7  -30 65 o 25.010  9.8808  60.870     88.651   -10.9728   258.448  70.450     94.377   32.213  14.737  26.113  10.233  6.099720       17.94153 
1 1 1 -7  -29 1  o 144.993 6.1481  2565.75    216.297  2565.75    216.297  0.0000     0.0000   144.993 6.1481  ?       ?       0.000000       6.148066 
1 1 1 -7  -29 2  f 47.426  6.2779  279.167    70.467   279.167    70.467   0.0000     0.0000   47.426  6.2779  ?       ?       0.000000       6.277932 
1 1 1 -7  -29 3  o 103.782 4.6601  1310.67    117.349  1325.74    142.139  1278.41    207.971  104.153 5.6455  101.797 8.4975  2.355598       10.20192 
1 1 1 -7  -29 4  o 61.751  3.9518  465.470    58.900   536.336    87.305   406.270    79.796   66.131  5.4905  57.451  5.8039  8.680832       7.989423 
1 1 1 -7  -29 5  o 209.448 4.9896  5339.14    253.574  5607.77    363.267  5083.86    354.125  214.325 6.9854  204.037 7.1529  10.28804       9.997961 
1 1 1 -7  -29 6  o 100.328 3.7743  1223.34    91.880   1288.25    135.339  1167.85    125.136  102.714 5.4499  97.801  5.2929  4.912827       7.597087 
1 1 1 -7  -29 7  o 55.121  3.8867  371.114    51.650   416.194    78.514   336.722    68.578   58.190  5.6312  52.304  5.4853  5.886269       7.861207 
1 1 1 -7  -29 8  o 113.114 3.8254  1554.98    104.992  1660.83    153.214  1461.27    144.162  116.800 5.4062  109.557 5.4231  7.242943       7.657468 
1 1 1 -7  -29 9  o 64.271  3.7317  503.655    57.945   614.988    87.021   414.969    77.667   70.909  5.0916  58.115  5.5764  12.79454       7.551215 
1 1 1 -7  -29 10 o 105.993 3.7464  1365.19    96.352   1367.88    140.635  1362.81    132.274  105.858 5.4942  105.825 5.1514  0.3317261E-01  7.531438 
1 1 1 -7  -29 11 o 168.581 4.4093  3455.53    180.362  3618.90    258.600  3300.79    251.682  172.335 6.1843  164.573 6.3027  7.762405       8.830065 
1 1 1 -7  -29 12 o 223.264 10.236  6119.21    554.512  0.0000     0.0000   6119.21    554.512  ?       ?       223.264 10.236  0.000000       10.23597 
1 1 1 -7  -29 13 f 138.061 7.7637  2335.36    259.021  0.0000     0.0000   2335.36    259.021  ?       ?       138.061 7.7637  0.000000       7.763669 
1 1 1 -7  -29 14 o 99.500  6.9826  1213.49    167.512  0.0000     0.0000   1213.49    167.512  ?       ?       99.500  6.9826  0.000000       6.982640 
1 1 1 -7  -29 15 o 143.706 5.8455  2515.00    203.827  2787.66    308.530  2303.83    271.516  150.750 8.4692  137.050 8.2026  13.69994       11.79023 
1 1 1 -7  -29 16 o 161.810 6.0625  3189.46    238.023  3300.07    350.073  3094.35    324.600  163.987 8.8305  158.856 8.4518  5.131485       12.22336 
1 1 1 -7  -29 17 o 48.420  5.6347  289.264    64.963   298.653    103.371  283.135    83.516   48.624  9.0960  47.598  7.4778  1.026070       11.77520 
1 1 1 -7  -29 18 o 347.761 10.387  14847.61   876.426  14496.61   1252.72  15184.13   1226.60  341.375 15.124  349.751 14.454  -8.375946      20.91976 
1 1 1 -7  -29 19 o 56.244  5.3725  388.496    72.428   360.428    113.591  407.725    94.019   53.543  9.0669  57.416  6.8860  -3.873329      11.38532 
1 1 1 -7  -29 20 o 157.920 4.1912  3031.47    160.599  3087.41    228.018  2976.40    226.234  159.218 5.9022  156.324 5.9644  2.894882       8.391070 
1 1 1 -7  -29 21 o 135.737 3.9093  2239.07    128.755  2213.19    182.830  2264.54    181.352  134.831 5.5885  136.396 5.4797  -1.564529      7.826765 
1 1 1 -7  -29 22 o 97.882  3.5763  1164.02    84.937   1086.51    120.829  1239.74    119.422  94.339  5.3000  100.954 4.8752  -6.615173      7.201257 
1 1 1 -7  -29 23 o 135.098 3.9208  2218.07    128.523  2389.32    182.704  2050.30    180.830  140.110 5.3742  129.760 5.7433  10.34990       7.865598 
1 1 1 -7  -29 24 o 221.524 5.1357  5971.19    276.049  6191.68    391.765  5753.76    389.034  225.262 7.1676  217.111 7.3848  8.150513       10.29130 
1 1 1 -7  -29 25 o 159.699 4.2630  3100.50    165.190  3035.01    234.585  3164.91    232.656  157.831 6.1255  161.193 5.9485  -3.361496      8.538510 
1 1 1 -7  -29 26 o 100.900 3.6787  1237.05    90.065   1280.09    128.325  1195.27    126.437  102.433 5.1799  98.960  5.2847  3.472229       7.399978 
1 1 1 -7  -29 27 f 71.231  3.6809  618.164    63.401   614.479    91.325   621.593    88.089   70.851  5.3517  71.288  5.1268  -0.4368744     7.411180 
1 1 1 -7  -29 28 o 117.696 3.8220  1683.46    109.149  1695.20    155.245  1672.00    153.491  118.003 5.4220  117.195 5.3977  0.8084717      7.650709 
1 1 1 -7  -29 29 o 45.978  5.0954  260.399    55.890   324.682    91.166   221.692    70.743   51.010  7.5975  42.038  7.1942  8.972893       10.46316 
1 1 1 -7  -29 30 o 97.024  4.7814  1145.28    112.563  1269.88    170.943  1049.89    149.566  101.773 6.9643  92.532  6.7071  9.240372       9.668831 
1 1 1 -7  -29 31 o 212.632 6.8238  5517.49    352.063  5995.35    512.560  5090.67    484.416  221.028 9.5573  203.609 9.8052  17.41896       13.69248 
1 1 1 -7  -29 32 o 177.646 5.9002  3846.14    254.322  5161.90    376.175  2738.42    345.155  205.505 7.5441  149.043 9.5952  56.46124       12.20572 
1 1 1 -7  -29 33 o 113.429 3.6966  1563.85    101.739  1513.87    153.745  1602.79    135.700  111.312 5.7116  114.753 4.8736  -3.440414      7.508299 
1 1 1 -7  -29 34 o 40.151  4.2828  198.319    41.080   171.123    66.528   215.079    52.227   36.722  7.7120  41.692  5.2811  -4.970371      9.346885 
1 1 1 -7  -29 35 o 139.566 3.9715  2368.96    134.494  2289.34    200.534  2434.05    181.320  136.981 6.0334  141.337 5.2872  -4.355576      8.022268 
1 1 1 -7  -29 36 o 25.395  5.6889  81.765     34.184   138.947    58.633   52.319     42.075   33.040  7.4869  21.212  7.0212  11.82828       10.26404 
1 1 1 -7  -29 37 o 84.483  3.5704  867.964    73.191   775.732    114.122  932.406    95.392   79.482  5.9609  87.386  4.5143  -7.904381      7.477437 
1 1 1 -7  -29 38 o 50.486  3.9081  312.050    47.501   128.885    77.877   420.565    59.942   32.017  9.4047  58.616  4.2432  -26.59960      10.31765 
1 1 1 -7  -29 39 o 128.860 3.8878  2021.60    121.560  2020.32    183.790  2022.59    162.074  128.527 5.8933  128.715 5.1894  -0.1879425     7.852484 
1 1 1 -7  -29 40 o 47.615  3.9920  278.115    45.695   224.858    76.361   307.824    57.033   42.083  7.7643  50.002  4.7583  -7.918629      9.106360 
1 1 1 -7  -29 41 o 136.014 4.0018  2254.91    132.068  2191.90    200.141  2303.51    175.769  133.671 6.1707  137.235 5.2785  -3.563705      8.120349 
1 1 1 -7  -29 42 o 81.032  3.5566  799.906    69.929   978.187    111.613  684.698    89.723   89.258  5.1757  74.661  4.9813  14.59708       7.183449 
1 1 1 -7  -29 43 o 90.550  3.7157  999.734    81.638   970.980    128.459  1019.22    105.737  88.689  6.0048  91.154  4.7975  -2.465675      7.685974 
1 1 1 -7  -29 44 o 116.526 3.9366  1657.52    111.302  1462.90    171.977  1797.79    146.004  108.695 6.5513  121.136 4.9674  -12.44102      8.221592 
1 1 1 -7  -29 45 o 37.653  6.6634  180.240    58.651   99.407     95.633   228.973    74.255   29.679  10.557  42.341  7.5023  -12.66183      12.95148 
1 1 1 -7  -29 46 o 131.758 5.7911  2139.39    185.140  2228.39    278.331  2068.75    247.950  132.941 8.6761  128.439 7.9958  4.501495       11.79864 
1 1 1 -7  -29 47 o 112.118 5.6490  1553.19    153.185  1409.25    234.021  1661.09    202.628  105.183 9.2641  115.278 7.2816  -10.09486      11.78323 
1 1 1 -7  -29 48 o 73.749  3.9103  666.984    69.723   543.677    115.296  738.075    87.545   65.635  7.3668  77.415  4.6826  -11.77965      8.729032 
1 1 1 -7  -29 49 o 32.108  5.6831  130.866    42.655   144.488    79.378   125.335    50.578   33.238  9.4145  31.161  6.8740  2.077000       11.65692 
1 1 1 -7  -29 50 o 22.422  6.5945  63.626     38.269   26.292     75.419   76.571     44.411   21.900  8.9504  24.494  7.0756  -2.593599      11.40939 
1 1 1 -7  -29 51 o 134.102 4.2031  2204.77    136.763  2221.76    216.072  2193.42    176.653  133.565 6.6671  133.278 5.4626  0.2871704      8.619204 
1 1 1 -7  -29 52 f 142.563 6.0061  2522.21    207.761  2694.97    336.882  2416.17    263.928  144.556 9.6602  138.210 7.9029  6.345963       12.48103 
1 1 1 -7  -29 53 o 41.871  6.6287  223.912    65.103   324.209    131.029  191.036    75.017   48.756  11.297  38.109  8.3441  10.64730       14.04444 
1 1 1 -7  -29 54 o 79.907  4.0277  785.899    77.842   813.704    135.163  772.099    95.218   80.171  7.0190  78.897  4.9997  1.273590       8.617641 
1 1 1 -7  -29 55 o 21.593  6.7752  58.416     39.516   133.677    83.510   36.702     44.856   31.803  9.8281  19.201  7.1678  12.60244       12.16424 
1 1 1 -7  -29 56 o 39.062  5.2479  192.677    48.482   118.796    95.943   218.011    56.183   30.648  10.599  41.441  5.7416  -10.79347      12.05457 
1 1 1 -7  -29 57 o 18.718  6.9150  36.236     41.534   -58.5384   89.831   62.005     46.841   18.517  8.5500  22.406  7.4078  -3.889484      11.31268 
1 1 1 -7  -29 58 o 46.412  4.8648  270.250    53.970   239.079    106.573  281.001    62.589   41.360  10.578  47.094  5.5862  -5.734180      11.96203 
1 1 1 -7  -29 59 o 61.969  5.3222  483.073    79.249   413.427    181.618  499.453    88.077   52.165  14.039  62.791  5.8482  -10.62555      15.20863 
1 1 1 -7  -29 60 o 27.621  9.4014  97.723     75.397   163.158    119.792  54.795     97.026   34.496  11.849  25.404  10.236  9.092430       15.65759 
1 1 1 -7  -29 61 o 32.335  11.824  134.253    120.970  134.253    120.970  0.0000     0.0000   32.335  11.824  ?       ?       0.000000       11.82427 
1 1 1 -7  -29 62 f 17.727  7.7958  -9.3257    64.843   31.667     128.840  -23.2313   75.040   26.519  11.323  18.259  8.1857  8.260738       13.97167 
1 1 1 -7  -29 63 f 33.482  7.6378  149.715    60.677   282.685    149.754  123.597    66.369   43.610  13.099  30.261  8.6216  13.34959       15.68161 
1 1 1 -7  -29 64 o 65.298  5.2360  536.317    82.261   513.338    162.632  544.218    95.360   60.021  11.587  65.383  6.0805  -5.361996      13.08521 
1 1 1 -7  -29 65 o 24.831  8.2061  79.134     57.484   44.026     127.957  88.011     64.343   26.887  11.374  26.088  8.6848  0.7995224      14.31063 
1 1 1 -7  -28 1  o 31.561  7.1926  126.513    53.854   126.513    53.854   0.0000     0.0000   31.561  7.1926  ?       ?       0.000000       7.192572 
1 1 1 -7  -28 2  o 213.699 5.9423  5565.44    308.120  5622.61    376.729  5449.91    535.500  214.561 7.2363  210.471 10.486  4.089935       12.74031 
1 1 1 -7  -28 3  o 346.756 7.3076  14683.24   614.842  15569.55   874.071  13815.16   865.036  356.005 10.119  335.129 10.638  20.87592       14.68178 
1 1 1 -7  -28 4  o 264.734 5.8306  8536.99    374.529  9169.75    534.232  7925.43    525.212  273.873 8.0393  254.498 8.5052  19.37497       11.70335 
1 1 1 -7  -28 5  o 240.698 5.4892  7053.28    320.584  7619.48    457.458  6506.85    449.398  249.786 7.5478  230.730 8.0272  19.05569       11.01838 
1 1 1 -7  -28 6  o 306.298 6.5598  11437.72   487.525  12187.23   692.886  10702.83   686.093  315.483 9.0515  295.486 9.5693  19.99661       13.17203 
1 1 1 -7  -28 7  o 275.876 6.0497  9271.09    404.956  9432.98    576.027  9112.90    569.420  277.712 8.5484  272.947 8.5979  4.765167       12.12429 
1 1 1 -7  -28 8  f 98.851  3.7138  1187.28    89.076   1287.81    130.421  1099.38    121.950  102.740 5.2492  94.898  5.3176  7.841911       7.472032 
1 1 1 -7  -28 9  o 298.214 6.4142  10837.59   464.122  11462.04   659.068  10223.27   653.699  306.061 8.8748  288.922 9.3247  17.13953       12.87290 
1 1 1 -7  -28 10 o 142.967 4.0983  2484.24    142.168  2505.59    204.580  2464.30    197.708  143.443 5.8779  142.270 5.7273  1.173538       8.206757 
1 1 1 -7  -28 11 o 205.429 6.9578  5146.48    346.813  0.0000     0.0000   5146.48    346.813  ?       ?       205.429 6.9578  0.000000       6.957757 
1 1 1 -7  -28 12 o 183.967 6.4928  4124.47    289.823  0.0000     0.0000   4124.47    289.823  ?       ?       183.967 6.4928  0.000000       6.492750 
1 1 1 -7  -28 13 o 250.406 7.9635  7658.53    483.851  0.0000     0.0000   7658.53    483.851  ?       ?       250.406 7.9635  0.000000       7.963491 
1 1 1 -7  -28 14 o 149.311 4.1159  2709.55    149.116  2987.80    213.987  2446.90    207.907  156.668 5.6292  141.742 6.0451  14.92522       8.260205 
1 1 1 -7  -28 15 o 211.826 9.8308  5499.40    505.277  0.0000     0.0000   5499.40    505.277  ?       ?       211.826 9.8308  0.000000       9.830760 
1 1 1 -7  -28 16 o 247.510 7.8883  7481.20    473.739  7460.10    682.672  7500.81    657.948  246.279 11.424  247.080 10.975  -0.8007965     15.84148 
1 1 1 -7  -28 17 o 135.053 5.5879  2220.12    183.111  2146.14    270.877  2282.39    248.487  132.234 8.4872  136.547 7.5290  -4.313034      11.34541 
1 1 1 -7  -28 18 o 136.093 5.5858  2254.44    184.455  2240.45    271.326  2266.45    251.516  135.152 8.3142  136.049 7.6502  -0.8972778     11.29827 
1 1 1 -7  -28 19 o 247.606 7.9017  7487.05    474.731  7210.53    683.057  7745.44    660.265  242.068 11.629  251.119 10.836  -9.051270      15.89540 
1 1 1 -7  -28 20 o 210.626 7.0285  5410.27    359.204  5407.93    519.457  5412.41    497.253  209.980 10.195  210.164 9.7511  -0.1843262     14.10787 
1 1 1 -7  -28 21 o 147.524 5.7775  2649.64    206.808  2570.56    302.193  2719.31    283.630  144.739 8.6442  149.023 7.8719  -4.284012      11.69138 
1 1 1 -7  -28 22 o 247.709 5.5411  7468.38    333.042  7367.61    472.109  7568.21    469.884  245.617 7.9217  248.968 7.7783  -3.350723      11.10203 
1 1 1 -7  -28 23 o 180.900 4.5096  3978.76    197.945  3970.09    281.179  3987.28    278.711  180.503 6.4200  180.902 6.3496  -0.3991241     9.029589 
1 1 1 -7  -28 24 f 209.688 4.9453  5348.21    251.612  5171.17    356.967  5523.02    354.709  205.897 7.1452  212.830 6.8687  -6.933212      9.911242 
1 1 1 -7  -28 25 o 138.424 3.9657  2328.58    133.199  2403.42    189.771  2255.90    187.002  140.517 5.5659  136.128 5.6615  4.388718       7.939279 
1 1 1 -7  -28 26 o 292.847 6.3100  10449.03   448.371  10408.34   635.560  10489.33   632.634  291.638 8.9815  292.792 8.9049  -1.153870      12.64772 
1 1 1 -7  -28 27 o 89.853  3.6151  980.886    78.817   1265.99    113.184  712.478    109.821  102.036 4.5716  76.253  5.9836  25.78322       7.530138 
1 1 1 -7  -28 28 o 276.562 5.3666  9308.80    360.126  9450.49    575.237  9217.47    461.829  277.989 8.5282  274.913 6.9234  3.075867       10.98469 
1 1 1 -7  -28 29 o 300.895 6.4118  11034.63   468.120  11002.40   670.772  11065.23   653.605  299.722 9.2234  300.656 8.9594  -0.9346313     12.85859 
1 1 1 -7  -28 30 o 233.718 7.4007  6668.46    419.688  6609.02    607.597  6722.69    580.393  231.862 10.800  234.008 10.222  -2.145508      14.87027 
1 1 1 -7  -28 31 o 270.627 8.1793  8955.01    537.099  9519.68    774.749  8432.52    745.254  277.981 11.486  261.537 11.744  16.44418       16.42719 
1 1 1 -7  -28 32 o 342.448 10.086  14402.49   838.059  14474.35   1201.31  14334.36   1169.71  341.087 14.515  339.618 14.195  1.468964       20.30224 
1 1 1 -7  -28 33 o 190.050 6.3889  4404.50    294.615  4651.94    432.865  4190.95    402.127  194.790 9.1585  184.928 8.9618  9.862091       12.81373 
1 1 1 -7  -28 34 o 37.373  4.4375  172.275    39.454   126.162    65.116   199.024    49.594   31.546  8.3691  40.096  5.2214  -8.549967      9.864354 
1 1 1 -7  -28 35 o 71.965  3.5414  629.417    61.838   684.256    98.163   593.335    79.624   74.748  5.4499  69.663  4.7388  5.084587       7.221989 
1 1 1 -7  -28 36 o 88.804  3.5818  958.611    77.179   846.237    119.426  1039.20    101.135  83.083  5.9638  92.409  4.5105  -9.325546      7.477396 
1 1 1 -7  -28 37 o 86.157  3.5507  902.460    74.229   894.856    115.164  907.864    97.087   85.483  5.5830  86.226  4.6578  -0.7427979     7.270786 
1 1 1 -7  -28 38 o 205.334 4.8173  5137.11    240.012  5564.38    352.157  4766.49    327.987  213.248 6.8059  197.357 6.8492  15.89111       9.655677 
1 1 1 -7  -28 39 o 230.058 5.2312  6457.73    292.014  6817.17    426.396  6140.25    400.738  235.686 7.4562  223.704 7.3828  11.98215       10.49289 
1 1 1 -7  -28 40 o 129.060 3.9123  2028.04    122.515  2067.61    186.412  1997.94    162.553  130.015 5.9090  127.917 5.2372  2.097412       7.895895 
1 1 1 -7  -28 41 o 144.525 4.0391  2545.03    141.643  2792.07    214.441  2353.82    188.655  151.020 5.8521  138.714 5.6051  12.30626       8.103351 
1 1 1 -7  -28 42 o 210.122 5.0313  5396.87    256.516  5378.82    377.924  5412.29    349.301  208.835 7.4583  209.746 6.8634  -0.9109497     10.13570 
1 1 1 -7  -28 43 o 264.104 5.9043  8560.68    378.364  8651.89    551.302  8479.47    520.224  263.801 8.6129  261.455 8.2003  2.346252       11.89229 
1 1 1 -7  -28 44 o 57.934  3.9436  411.397    55.106   381.369    89.634   429.643    69.871   55.192  6.8397  59.046  4.9217  -3.853989      8.426406 
1 1 1 -7  -28 45 o 48.639  4.2520  291.277    49.677   232.575    81.540   325.925    62.645   42.537  8.1976  51.315  5.0987  -8.778904      9.653868 
1 1 1 -7  -28 46 o 196.514 7.0702  4788.87    337.122  4518.92    494.775  5022.81    460.584  187.847 10.902  199.512 9.5143  -11.66434      14.46988 
1 1 1 -7  -28 47 o 96.570  5.4566  1150.91    127.335  1231.65    197.352  1093.33    166.670  98.834  8.3064  93.449  7.4114  5.385895       11.13217 
1 1 1 -7  -28 48 o 141.731 4.7078  2464.22    161.900  2505.35    310.964  2448.92    189.629  140.501 9.1718  140.991 5.5430  -0.4900360     10.71670 
1 1 1 -7  -28 49 o 104.481 3.8766  1334.78    98.278   1525.49    159.337  1217.68    124.857  110.964 5.9395  99.354  5.1973  11.60979       7.892352 
1 1 1 -7  -28 50 o 96.857  3.9205  1147.64    92.138   1186.07    150.945  1124.81    116.323  97.596  6.4098  95.505  5.0375  2.091713       8.152421 
1 1 1 -7  -28 51 o 67.654  4.0615  562.472    66.364   545.703    114.982  570.849    81.267   65.697  7.3385  67.946  4.9636  -2.248848      8.859497 
1 1 1 -7  -28 52 o 103.620 5.4769  1329.77    137.215  1592.51    235.780  1195.21    168.731  111.703 8.7696  97.505  7.1825  14.19857       11.33552 
1 1 1 -7  -28 53 o 115.586 5.7047  1655.18    159.994  1694.27    270.508  1634.15    198.422  114.277 9.8519  113.940 7.2143  0.3371735      12.21094 
1 1 1 -7  -28 54 o 54.105  5.9561  368.080    76.896   492.587    150.631  324.197    89.427   60.656  10.622  50.193  7.5789  10.46311       13.04848 
1 1 1 -7  -28 55 o 80.546  4.0811  799.148    79.499   866.693    139.383  766.579    96.786   82.707  7.0115  78.549  5.1059  4.158043       8.673605 
1 1 1 -7  -28 56 o 23.439  6.9701  70.529     42.560   143.678    88.405   48.461     48.557   32.818  10.107  20.924  7.5142  11.89429       12.59432 
1 1 1 -7  -28 57 o 21.238  6.9804  55.394     41.615   -11.2248   88.595   74.255     47.139   20.709  9.1096  24.056  7.3757  -3.347298      11.72117 
1 1 1 -7  -28 58 o 28.569  6.6182  107.054    44.977   116.337    95.118   104.381    51.044   30.247  10.548  28.089  7.3898  2.158400       12.87935 
1 1 1 -7  -28 59 o 49.779  5.7387  314.389    68.045   417.946    139.334  281.957    77.976   54.783  10.866  46.563  7.1286  8.220001       12.99553 
1 1 1 -7  -28 60 o 40.773  12.299  240.624    131.813  240.624    131.813  0.0000     0.0000   40.773  12.299  ?       ?       0.000000       12.29882 
1 1 1 -7  -28 61 o 20.492  9.3887  -52.1698   105.434  -52.1698   105.434  0.0000     0.0000   20.492  9.3887  ?       ?       0.000000       9.388668 
1 1 1 -7  -28 62 o 23.625  9.2065  53.048     76.068   84.827     148.603  41.765     88.548   30.652  12.550  23.849  9.7170  6.802410       15.87174 
1 1 1 -7  -28 63 o 19.592  8.2387  14.249     66.495   -150.2152  141.521  60.844     75.328   20.887  9.9736  24.226  9.2340  -3.338730      13.59193 
1 1 1 -7  -28 64 f 30.135  7.8159  121.731    57.633   45.550     127.193  141.413    64.651   27.114  11.398  32.370  8.2170  -5.255678      14.05102 
1 1 1 -7  -28 65 o 53.963  5.9527  371.638    76.645   411.304    161.344  360.078    87.100   52.590  12.771  52.626  6.9943  -0.3622055E-01 14.56119 
1 1 1 -7  -27 1  o 194.383 5.6438  4601.44    266.191  4517.08    324.894  4773.69    464.277  192.405 6.9592  197.263 9.6999  -4.858292      11.93813 
1 1 1 -7  -27 2  o 164.039 4.3942  3271.80    174.901  3204.59    250.814  3335.42    244.021  162.148 6.3750  165.459 6.0782  -3.311584      8.808187 
1 1 1 -7  -27 3  o 226.709 5.2458  6254.64    288.566  6664.27    412.693  5862.78    403.646  233.685 7.2783  219.126 7.5918  14.55893       10.51707 
1 1 1 -7  -27 4  o 401.695 8.2389  19721.06   803.025  20905.97   1139.42  18551.72   1131.91  412.208 11.392  387.997 12.023  24.21085       16.56314 
1 1 1 -7  -27 5  o 289.628 6.2653  10219.67   440.296  10863.04   626.278  9590.91    619.129  298.037 8.6603  279.923 9.1155  18.11465       12.57348 
1 1 1 -7  -27 6  o 150.725 4.2228  2761.36    154.437  2946.90    222.419  2588.62    214.605  155.568 5.8923  145.789 6.0667  9.779037       8.457214 
1 1 1 -7  -27 7  o 318.184 6.7868  12341.73   523.971  13094.62   743.859  11600.27   738.186  327.035 9.3742  307.651 9.8888  19.38354       13.62582 
1 1 1 -7  -27 8  o 250.787 5.5836  7655.06    339.768  8226.58    483.271  7096.45    477.784  259.609 7.6720  241.020 8.1698  18.58856       11.20739 
1 1 1 -7  -27 9  o 250.488 5.6164  7636.96    341.357  8144.32    485.288  7140.07    480.254  258.298 7.7431  241.762 8.1869  16.53629       11.26857 
1 1 1 -7  -27 10 o 331.818 9.9525  13493.83   801.305  0.0000     0.0000   13493.83   801.305  ?       ?       331.818 9.9525  0.000000       9.952532 
1 1 1 -7  -27 11 o 194.872 6.7061  4628.45    317.090  0.0000     0.0000   4628.45    317.090  ?       ?       194.872 6.7061  0.000000       6.706079 
1 1 1 -7  -27 12 o 222.770 7.2648  6053.33    392.683  0.0000     0.0000   6053.33    392.683  ?       ?       222.770 7.2648  0.000000       7.264756 
1 1 1 -7  -27 13 f 221.398 5.1595  5962.99    277.169  6165.10    394.224  5765.42    389.765  224.825 7.2266  217.389 7.3893  7.436111       10.33565 
1 1 1 -7  -27 14 o 187.239 4.5980  4262.50    208.895  4210.69    296.370  4313.65    294.484  185.888 6.5708  188.162 6.4501  -2.274078      9.207577 
1 1 1 -7  -27 15 o 113.020 3.6334  1551.80    99.639   1554.88    141.813  1548.80    140.025  113.054 5.1697  112.836 5.1144  0.2179642      7.272048 
1 1 1 -7  -27 16 o 255.736 5.6363  7960.25    349.743  8037.27    495.571  7883.83    493.658  256.556 7.9609  254.086 8.0072  2.470306       11.29118 
1 1 1 -7  -27 17 o 107.086 4.1130  1393.65    106.871  1391.38    132.911  1397.81    179.763  106.948 5.1218  106.849 6.9719  0.9884644E-01  8.651033 
1 1 1 -7  -27 18 o 257.230 8.0833  8081.08    504.513  8078.40    724.912  8083.60    702.591  256.270 11.658  256.462 11.291  -0.1916199     16.22916 
1 1 1 -7  -27 19 o 112.991 5.2167  1553.20    143.021  1658.83    212.166  1465.23    193.629  116.352 7.5561  109.354 7.3400  6.998337       10.53423 
1 1 1 -7  -27 20 o 193.276 6.6717  4552.57    312.882  4314.66    452.688  4770.17    432.936  187.374 9.9930  197.469 9.0357  -10.09503      13.47236 
1 1 1 -7  -27 21 o 215.341 7.1831  5655.45    375.320  5037.80    540.658  6229.94    521.430  202.228 11.060  225.567 9.5270  -23.33862      14.59772 
1 1 1 -7  -27 22 o 227.895 7.3381  6335.47    405.770  6757.14    584.342  5942.79    563.896  234.745 10.259  220.077 10.560  14.66887       14.72275 
1 1 1 -7  -27 23 o 200.945 4.7882  4910.23    233.461  4830.13    331.307  4989.23    329.031  199.055 6.8595  202.329 6.7022  -3.273590      9.590199 
1 1 1 -7  -27 24 f 326.661 6.8810  13008.27   545.400  13204.77   772.571  12813.04   770.060  328.344 9.6972  323.400 9.8134  4.944000       13.79634 
1 1 1 -7  -27 25 o 238.697 5.4126  6933.04    313.485  6811.08    444.693  7053.52    441.988  236.216 7.7586  240.418 7.5767  -4.201492      10.84449 
1 1 1 -7  -27 26 o 255.966 5.6630  7974.89    351.714  7816.33    498.724  8131.78    496.084  252.969 8.1251  258.066 7.9225  -5.096878      11.34824 
1 1 1 -7  -27 27 o 303.695 6.5015  11238.29   479.086  11548.84   679.054  10930.52   676.016  307.220 9.1094  298.822 9.3235  8.397766       13.03494 
1 1 1 -7  -27 28 o 161.508 4.2315  3170.52    165.825  2859.31    242.161  3445.30    227.545  153.181 6.5153  168.246 5.5739  -15.06493      8.574253 
1 1 1 -7  -27 29 f 297.090 6.3630  10753.86   458.686  10446.32   657.146  11046.05   640.531  292.113 9.2714  300.520 8.7842  -8.406647      12.77191 
1 1 1 -7  -27 30 o 406.880 8.2670  20232.26   816.169  20437.59   1163.52  20033.34   1145.18  407.418 11.770  403.404 11.700  4.014221       16.59538 
1 1 1 -7  -27 31 o 216.822 7.0006  5734.16    368.302  5784.27    535.899  5689.29    507.016  217.123 10.172  215.443 9.6990  1.680084       14.05500 
1 1 1 -7  -27 32 o 159.939 5.7212  3114.88    222.027  3524.91    329.344  2773.27    300.607  169.843 7.9917  150.391 8.2696  19.45250       11.50015 
1 1 1 -7  -27 33 o 177.480 6.1850  3838.57    266.348  3850.67    392.901  3828.28    362.304  177.056 9.1770  176.902 8.4406  0.1534882      12.46843 
1 1 1 -7  -27 34 f 159.535 5.8396  3100.64    226.047  3176.23    337.033  3038.83    304.756  160.839 8.6681  157.451 8.0034  3.387985       11.79789 
1 1 1 -7  -27 35 f 93.737  3.5548  1067.75    80.853   1050.66    123.809  1080.46    106.761  92.714  5.5287  94.238  4.6690  -1.524208      7.236445 
1 1 1 -7  -27 36 o 59.097  3.6791  426.137    52.494   482.789    84.635   390.717    66.922   62.697  5.6232  56.441  4.9363  6.256004       7.482457 
1 1 1 -7  -27 37 o 159.517 4.2071  3095.32    162.839  3272.68    242.064  2948.72    220.081  163.785 6.0910  155.503 5.8328  8.281876       8.433421 
1 1 1 -7  -27 38 o 115.561 3.7514  1623.96    105.189  1568.33    160.163  1666.16    139.490  113.226 5.8497  116.955 4.9154  -3.728500      7.640726 
1 1 1 -7  -27 39 o 237.460 5.3598  6877.90    308.821  7111.05    450.331  6670.91    424.307  240.761 7.7087  233.261 7.4968  7.499985       10.75296 
1 1 1 -7  -27 40 o 64.243  3.6897  503.814    57.274   526.198    92.709   489.999    72.835   65.354  5.9104  63.220  4.7835  2.133652       7.603575 
1 1 1 -7  -27 41 o 88.860  3.6811  961.099    79.369   917.334    124.052  991.430    103.273  86.386  5.9547  90.031  4.7442  -3.645378      7.613530 
1 1 1 -7  -27 42 o 31.562  5.4484  125.235    40.217   125.419    68.664   125.139    49.618   31.359  8.7121  31.338  6.7265  0.2053070E-01  11.00668 
1 1 1 -7  -27 43 o 183.857 4.6037  4127.82    205.378  4281.73    305.609  4001.07    277.341  186.558 6.7513  180.490 6.3328  6.067596       9.256620 
1 1 1 -7  -27 44 o 97.996  3.7365  1170.67    88.846   1250.09    139.112  1115.96    115.462  100.786 5.7120  95.369  5.0071  5.417679       7.595933 
1 1 1 -7  -27 45 o 70.600  3.7598  609.659    64.175   636.270    103.017  592.781    82.039   71.694  5.9764  69.414  4.9024  2.279297       7.729846 
1 1 1 -7  -27 46 o 99.354  5.4720  1216.09    131.407  1104.28    201.891  1298.28    173.092  93.442  9.0164  102.172 7.0247  -8.729378      11.42990 
1 1 1 -7  -27 47 o 83.027  5.4154  850.846    108.499  826.437    169.932  867.646    140.976  80.701  8.8219  83.365  7.0352  -2.663445      11.28363 
1 1 1 -7  -27 48 o 47.421  6.1398  282.100    68.987   227.446    114.447  313.292    86.460   41.359  11.150  49.669  7.4000  -8.309891      13.38249 
1 1 1 -7  -27 49 o 132.215 4.0886  2138.59    131.165  2310.27    205.641  2020.84    170.305  136.681 6.2007  128.099 5.4792  8.581558       8.274653 
1 1 1 -7  -27 50 o 65.674  4.1189  529.914    65.303   593.671    113.395  498.277    79.879   68.790  6.8861  63.428  5.2371  5.362316       8.651328 
1 1 1 -7  -27 51 o 78.451  4.0003  755.096    75.894   815.574    130.379  724.101    93.337   80.744  6.7157  76.564  5.0526  4.179886       8.404092 
1 1 1 -7  -27 52 o 19.045  6.7028  40.134     38.450   41.398     81.322   39.770     43.636   23.657  9.4263  19.541  7.1083  4.116283       11.80604 
1 1 1 -7  -27 53 o 66.866  5.7352  557.325    92.150   540.449    169.163  564.446    109.885  63.471  11.403  66.915  6.8650  -3.444866      13.31035 
1 1 1 -7  -27 54 o 23.661  8.0814  66.396     55.712   81.353     116.218  61.934     63.482   29.242  11.384  23.746  8.5835  5.495743       14.25739 
1 1 1 -7  -27 55 o 64.756  4.2752  517.754    66.797   509.195    123.125  521.323    79.515   62.756  8.2888  64.743  5.1030  -1.987667      9.733694 
1 1 1 -7  -27 56 o 28.505  6.5628  105.813    44.452   210.570    94.211   75.812     50.417   39.416  9.8721  24.440  7.6502  14.97590       12.48934 
1 1 1 -7  -27 57 o 45.314  5.0998  257.696    55.098   295.286    108.144  244.518    64.032   46.677  9.8577  43.782  6.2008  2.895287       11.64578 
1 1 1 -7  -27 58 o 19.451  6.8832  42.758     40.602   -13.8314   91.320   56.701     45.329   20.850  9.2068  21.633  7.2900  -0.7829227     11.74344 
1 1 1 -7  -27 59 o 48.431  10.102  322.163    114.872  322.163    114.872  0.0000     0.0000   48.431  10.102  ?       ?       0.000000       10.10218 
1 1 1 -7  -27 60 f 104.089 8.4662  1417.68    211.972  1417.68    211.972  0.0000     0.0000   104.089 8.4662  ?       ?       0.000000       8.466204 
1 1 1 -7  -27 61 o 59.187  5.3426  440.682    75.899   378.126    153.327  460.987    87.353   51.008  12.489  60.247  6.0576  -9.239655      13.88025 
1 1 1 -7  -27 62 o 64.503  7.0963  535.950    109.228  525.664    196.423  540.555    131.422  59.351  13.886  63.883  8.7052  -4.531651      16.38928 
1 1 1 -7  -27 63 o 37.588  9.6009  194.180    87.877   129.443    165.544  219.579    103.693  33.959  13.475  39.620  10.585  -5.661266      17.13527 
1 1 1 -7  -27 64 o 51.202  6.3898  336.109    77.657   197.365    187.698  364.764    85.300   38.234  14.575  53.205  6.7601  -14.97090      16.06680 
1 1 1 -7  -27 65 o 17.283  7.4267  2.1617     56.075   60.011     127.460  -11.7224   62.443   27.854  11.536  17.219  7.6079  10.63498       13.81864 
1 1 1 -7  -26 1  f 69.855  3.8970  594.825    65.790   570.865    93.514   618.307    92.576   68.241  5.6998  71.073  5.4088  -2.832397      7.857670 
1 1 1 -7  -26 2  o 114.610 3.8041  1596.02    105.789  1634.63    154.608  1562.03    145.064  115.892 5.4981  113.303 5.2766  2.588654       7.620516 
1 1 1 -7  -26 3  o 265.854 5.9137  8605.79    381.477  9243.28    543.408  7986.37    535.654  275.082 8.1414  255.586 8.6374  19.49536       11.86960 
1 1 1 -7  -26 4  o 206.051 4.9350  5163.73    246.732  5428.20    352.605  4910.00    345.370  211.015 6.8867  200.661 7.0935  10.35416       9.886555 
1 1 1 -7  -26 5  o 141.975 4.0853  2449.57    140.736  2606.66    202.891  2303.89    195.383  146.339 5.7140  137.567 5.8534  8.772339       8.179964 
1 1 1 -7  -26 6  o 92.633  3.6395  1042.41    81.803   1084.91    119.919  1005.41    111.874  94.288  5.2626  90.774  5.1000  3.514694       7.328376 
1 1 1 -7  -26 7  o 209.951 4.9423  5360.76    251.772  5762.52    358.971  4971.77    353.217  217.439 6.8039  201.913 7.2096  15.52623       9.913203 
1 1 1 -7  -26 8  o 249.514 5.6201  7576.87    340.254  8001.41    483.657  7160.88    478.763  256.040 7.7851  242.150 8.1484  13.89070       11.26964 
1 1 1 -7  -26 9  o 237.203 7.6593  6866.01    440.834  0.0000     0.0000   6866.01    440.834  ?       ?       237.203 7.6593  0.000000       7.659332 
1 1 1 -7  -26 10 o 309.848 9.3746  11749.57   704.797  0.0000     0.0000   11749.57   704.797  ?       ?       309.848 9.3746  0.000000       9.374586 
1 1 1 -7  -26 11 o 122.460 5.3266  1824.53    158.274  0.0000     0.0000   1824.53    158.274  ?       ?       122.460 5.3266  0.000000       5.326623 
1 1 1 -7  -26 12 o 194.288 4.6929  4589.71    221.235  5017.85    315.525  4175.65    310.289  202.956 6.4072  185.080 6.9094  17.87567       9.422994 
1 1 1 -7  -26 13 o 147.893 4.0468  2657.93    145.220  2569.37    206.254  2744.99    204.501  145.279 5.8511  150.182 5.6119  -4.903519      8.107346 
1 1 1 -7  -26 14 o 183.352 4.5134  4086.92    200.795  4115.18    285.051  4059.09    282.896  183.796 6.3918  182.540 6.3871  1.256393       9.036032 
1 1 1 -7  -26 15 f 72.903  3.4038  645.547    60.211   615.027    85.675   675.333    84.638   70.935  5.0099  74.377  4.7142  -3.442703      6.879201 
1 1 1 -7  -26 16 o 359.431 7.4089  15760.11   646.146  15566.25   914.728  15953.18   912.852  356.195 10.584  360.652 10.432  -4.457245      14.86043 
1 1 1 -7  -26 17 o 360.740 7.4430  15875.92   651.489  15843.76   922.321  15907.94   920.370  359.360 10.578  360.104 10.533  -0.7437439     14.92782 
1 1 1 -7  -26 18 o 75.707  3.4263  696.180    62.940   680.911    89.585   711.065    88.448   74.659  4.9737  76.319  4.8008  -1.659813      6.912659 
1 1 1 -7  -26 19 o 191.304 6.5855  4459.30    305.690  4434.75    442.110  4481.79    423.134  190.075 9.6174  191.408 9.1108  -1.332870      13.24763 
1 1 1 -7  -26 20 o 153.479 5.8438  2867.53    217.623  2817.05    317.046  2912.50    299.255  151.573 8.6565  154.241 8.0238  -2.667984      11.80325 
1 1 1 -7  -26 21 o 190.046 6.5111  4400.28    300.244  4602.60    433.756  4214.16    416.018  193.957 9.2167  185.589 9.2384  8.368591       13.04973 
1 1 1 -7  -26 22 o 124.530 5.3741  1886.80    162.383  1655.43    239.026  2085.10    221.288  116.085 8.5462  130.595 7.0090  -14.50999      11.05275 
1 1 1 -7  -26 23 o 313.021 9.4075  11991.24   714.516  11974.90   1020.32  12006.97   1000.91  311.378 13.505  311.908 13.225  -0.5299377     18.90199 
1 1 1 -7  -26 24 o 231.154 6.0937  6506.15    341.778  6649.32    598.984  6437.03    416.177  232.824 10.603  229.713 7.4667  3.111176       12.96813 
1 1 1 -7  -26 25 o 243.354 5.4905  7206.07    324.201  7035.79    459.718  7374.54    457.271  240.082 7.8916  245.836 7.6659  -5.753922      11.00200 
1 1 1 -7  -26 26 o 194.622 4.0995  4602.98    193.590  4981.85    311.296  4364.06    247.207  202.241 6.3437  189.391 5.3794  12.84953       8.317501 
1 1 1 -7  -26 27 o 90.459  3.3830  993.863    74.254   881.177    111.302  1084.24    99.679   84.929  5.4295  94.447  4.3496  -9.518425      6.956923 
1 1 1 -7  -26 28 o 144.455 4.4398  2536.59    155.617  2541.21    279.998  2534.52    187.190  144.045 8.0432  144.333 5.3451  -0.2878113     9.657304 
1 1 1 -7  -26 29 o 212.919 4.9560  5513.59    256.041  5361.96    370.583  5652.09    354.167  209.672 7.2842  215.346 6.7781  -5.674469      9.949980 
1 1 1 -7  -26 30 o 262.691 5.7766  8400.38    368.197  8157.64    529.551  8627.56    512.296  258.370 8.4470  265.819 7.9427  -7.448730      11.59477 
1 1 1 -7  -26 31 o 115.887 3.5968  1631.51    101.138  1981.47    151.680  1351.35    135.711  127.640 4.8975  105.251 5.3315  22.38904       7.239493 
1 1 1 -7  -26 32 o 62.400  4.9043  476.508    73.657   512.100    117.557  453.505    94.508   64.319  7.6847  60.657  6.5238  3.661892       10.08045 
1 1 1 -7  -26 33 o 169.977 5.9941  3518.99    247.215  3745.22    366.509  3330.14    334.859  174.988 8.6320  164.833 8.4003  10.15488       12.04483 
1 1 1 -7  -26 34 o 49.032  5.5327  296.375    64.672   307.760    110.465  290.438    79.773   49.287  9.5820  48.299  7.0119  0.9885368      11.87360 
1 1 1 -7  -26 35 o 183.943 6.0997  4123.19    272.242  5287.55    405.059  3163.87    367.668  207.964 8.0272  160.353 9.4919  47.61159       12.43110 
1 1 1 -7  -26 36 o 73.056  3.5628  648.558    63.156   637.825    99.739   655.742    81.599   72.130  5.7465  73.275  4.6130  -1.145920      7.369019 
1 1 1 -7  -26 37 o 192.364 4.6924  4502.98    219.021  4489.02    321.684  4515.05    299.038  191.725 6.9149  192.370 6.4066  -0.6444092     9.426571 
1 1 1 -7  -26 38 o 123.160 3.8185  1844.30    114.112  1838.54    173.480  1848.68    151.500  122.788 5.8228  123.202 5.0679  -0.4148026     7.719369 
1 1 1 -7  -26 39 f 74.476  3.6534  674.451    66.019   561.668    103.281  752.372    85.848   67.513  6.3804  78.483  4.5273  -10.97041      7.823428 
1 1 1 -7  -26 40 o 200.187 4.8205  4883.86    234.150  5019.50    344.648  4767.58    319.103  202.440 7.0164  197.386 6.6627  5.053482       9.675833 
1 1 1 -7  -26 41 o 125.635 3.9197  1921.46    119.490  1867.81    181.675  1962.36    158.629  123.578 6.0588  126.808 5.1555  -3.230125      7.955420 
1 1 1 -7  -26 42 o 64.258  3.8517  504.603    59.777   466.917    95.034   529.275    76.894   61.383  6.4786  65.678  4.8596  -4.295197      8.098646 
1 1 1 -7  -26 43 o 100.099 3.7678  1220.56    91.514   1133.63    142.721  1281.26    119.257  95.953  6.1627  102.429 4.7984  -6.476410      7.810431 
1 1 1 -7  -26 44 o 17.893  6.3862  33.726     35.021   -94.9134   61.039   96.854     42.759   13.166  6.3537  27.525  6.5052  -14.35942      9.093242 
1 1 1 -7  -26 45 o 153.618 4.2620  2881.66    158.863  2942.27    241.587  2835.49    210.865  154.584 6.4409  151.989 5.7178  2.594559       8.612666 
1 1 1 -7  -26 46 o 72.759  5.4075  653.125    94.782   570.407    149.308  708.960    122.669  66.803  9.4771  75.476  6.7702  -8.673859      11.64693 
1 1 1 -7  -26 47 o 22.300  7.5606  57.745     48.760   58.690     86.629   57.307     58.992   25.672  9.8744  23.092  8.2834  2.579708       12.88873 
1 1 1 -7  -26 48 o 43.082  6.5623  234.530    66.432   196.117    108.727  257.413    83.917   38.604  11.048  44.784  8.0170  -6.180454      13.65002 
1 1 1 -7  -26 49 o 29.173  5.7248  108.386    39.077   104.783    71.811   109.901    46.576   28.915  9.1415  29.217  6.7112  -0.3023834     11.34051 
1 1 1 -7  -26 50 o 54.639  4.3857  367.965    57.654   288.133    103.452  403.930    69.437   46.954  9.4082  57.120  5.0625  -10.16626      10.68378 
1 1 1 -7  -26 51 o 66.710  4.1493  546.828    66.831   612.675    117.131  515.045    81.376   69.847  7.0057  64.488  5.2461  5.359230       8.752246 
1 1 1 -7  -26 52 o 96.492  4.0071  1139.69    93.818   1099.54    157.388  1161.82    116.846  93.702  6.9723  97.070  4.9777  -3.367325      8.566866 
1 1 1 -7  -26 53 o 71.182  5.5484  629.581    95.073   841.797    176.664  543.063    112.801  80.854  9.1669  65.536  7.2131  15.31878       11.66448 
1 1 1 -7  -26 54 o 100.767 5.6203  1260.82    136.870  1415.16    240.090  1186.52    166.592  104.576 9.5679  97.071  7.1227  7.505508       11.92803 
1 1 1 -7  -26 55 o 80.392  4.1378  795.640    80.440   905.417    141.662  743.400    97.724   84.690  6.9552  77.362  5.2369  7.328400       8.706312 
1 1 1 -7  -26 56 f 38.956  5.5019  191.844    50.559   310.236    102.199  153.480    58.176   48.413  9.0323  34.293  7.2200  14.12003       11.56329 
1 1 1 -7  -26 57 o 85.292  4.1651  895.384    86.198   1067.43    152.293  814.291    104.558  91.767  6.8899  80.794  5.3640  10.97285       8.731678 
1 1 1 -7  -26 58 o 40.782  5.6908  211.267    54.777   257.087    107.143  195.052    63.737   43.218  10.353  38.711  7.0451  4.506767       12.52299 
1 1 1 -7  -26 59 o 103.104 7.5624  1366.30    187.871  1366.30    187.871  0.0000     0.0000   103.104 7.5624  ?       ?       0.000000       7.562412 
1 1 1 -7  -26 60 o 25.655  8.2769  84.356     58.643   73.412     127.425  87.297     66.053   28.880  11.697  26.278  8.8003  2.602840       14.63800 
1 1 1 -7  -26 61 o 21.511  8.0732  47.727     57.053   -38.7859   124.667  70.647     64.167   23.063  10.427  24.413  8.6517  -1.349720      13.54855 
1 1 1 -7  -26 62 o 60.371  7.3844  471.653    105.916  371.878    199.305  510.920    125.033  49.103  15.184  62.263  8.4981  -13.15998      17.40076 
1 1 1 -7  -26 63 o 79.189  6.8725  801.323    130.743  807.367    226.412  798.299    160.141  75.065  12.895  77.947  8.6110  -2.881516      15.50620 
1 1 1 -7  -26 64 o 17.073  7.3681  -0.5102    55.658   58.796     144.476  -10.8457   60.313   29.109  12.187  17.023  7.5013  12.08569       14.31060 
1 1 1 -7  -26 65 o 18.867  7.5380  26.824     52.139   57.038     100.671  15.748     60.950   25.828  10.419  18.997  7.9314  6.830959       13.09470 
1 1 1 -7  -25 1  o 204.705 4.8524  5095.85    241.018  5537.95    345.457  4676.57    336.425  213.175 6.6787  195.842 7.0797  17.33311       9.732837 
1 1 1 -7  -25 2  o 265.249 5.9064  8565.17    380.139  9087.97    541.556  8057.39    533.726  272.794 8.1817  256.780 8.5663  16.01389       11.84577 
1 1 1 -7  -25 3  o 219.816 5.1208  5877.10    273.124  6250.75    390.022  5517.55    382.595  226.429 7.0989  212.687 7.4137  13.74117       10.26439 
1 1 1 -7  -25 4  o 297.471 6.3911  10778.12   461.301  11490.73   655.585  10079.27   649.219  306.603 8.8123  287.028 9.3219  19.57523       12.82784 
1 1 1 -7  -25 5  o 140.935 4.0615  2413.58    138.890  2534.57    199.912  2300.70    193.106  144.311 5.7092  137.486 5.7886  6.825073       8.130343 
1 1 1 -7  -25 6  o 171.624 4.3989  3580.16    183.184  3684.39    262.178  3480.74    256.052  173.943 6.2119  169.064 6.2418  4.878632       8.806160 
1 1 1 -7  -25 7  f 232.918 5.2353  6599.23    295.875  6927.50    420.921  6278.62    415.983  238.346 7.2783  226.864 7.5569  11.48228       10.49194 
1 1 1 -7  -25 8  o 267.550 8.3576  8743.62    542.563  0.0000     0.0000   8743.62    542.563  ?       ?       267.550 8.3576  0.000000       8.357575 
1 1 1 -7  -25 9  o 107.693 5.0769  1410.60    132.663  0.0000     0.0000   1410.60    132.663  ?       ?       107.693 5.0769  0.000000       5.076887 
1 1 1 -7  -25 10 o 256.186 8.0728  8013.56    501.817  0.0000     0.0000   8013.56    501.817  ?       ?       256.186 8.0728  0.000000       8.072840 
1 1 1 -7  -25 11 o 210.873 4.9422  5407.82    252.876  5781.22    360.040  5044.29    355.250  217.796 6.8130  203.388 7.1986  14.40834       9.911400 
1 1 1 -7  -25 12 f 176.354 4.4013  3780.35    188.334  3784.79    267.315  3775.97    265.384  176.287 6.2494  176.086 6.2114  0.2014618      8.811122 
1 1 1 -7  -25 13 o 311.341 6.6281  11810.66   500.712  11859.58   709.133  11762.03   707.098  311.314 9.3878  310.028 9.3997  1.286285       13.28479 
1 1 1 -7  -25 14 o 249.741 5.5641  7589.72    337.167  7518.20    477.779  7660.67    475.880  248.176 7.9342  250.537 7.8282  -2.360809      11.14596 
1 1 1 -7  -25 15 o 77.014  3.3611  720.362    62.809   749.216    89.407   692.247    88.255   78.358  4.7245  75.296  4.8565  3.061958       6.775483 
1 1 1 -7  -25 16 o 72.066  3.4137  630.786    59.693   571.915    84.945   688.220    83.902   68.378  5.1578  75.098  4.6270  -6.719887      6.929073 
1 1 1 -7  -25 17 o 75.345  3.3704  689.474    61.616   696.816    87.150   682.137    87.126   75.553  4.7785  74.744  4.8299  0.8081589      6.794270 
1 1 1 -7  -25 18 o 249.380 5.5462  7567.58    335.602  7361.12    475.415  7772.65    473.815  245.562 7.9790  252.380 7.7373  -6.817352      11.11440 
1 1 1 -7  -25 19 o 304.934 6.4998  11327.56   480.920  11361.16   681.080  11294.15   679.172  304.755 9.2105  303.855 9.2119  0.9005432      13.02660 
1 1 1 -7  -25 20 o 173.614 4.3481  3663.60    183.168  3629.09    260.050  3697.58    258.039  172.629 6.2084  174.261 6.1027  -1.632523      8.705563 
1 1 1 -7  -25 21 o 214.836 7.0699  5626.94    368.537  5534.87    530.356  5712.90    512.485  212.493 10.286  215.990 9.7788  -3.497192      14.19267 
1 1 1 -7  -25 22 o 256.319 8.0255  8020.87    499.137  7868.06    714.910  8166.19    697.195  252.992 11.646  257.884 11.142  -4.891479      16.11762 
1 1 1 -7  -25 23 o 122.956 5.2722  1839.10    157.291  1893.12    230.734  1792.20    214.986  124.328 7.6862  121.005 7.3572  3.323036       10.63983 
1 1 1 -7  -25 24 o 272.319 8.4181  9058.27    556.235  8803.30    795.685  9301.97    777.887  267.443 12.262  275.104 11.653  -7.660614      16.91595 
1 1 1 -7  -25 25 o 211.730 5.4222  5454.08    278.564  7192.65    499.875  4670.99    335.484  242.650 8.4902  195.749 7.0633  46.90073       11.04414 
1 1 1 -7  -25 26 o 163.900 4.1420  3264.39    164.724  3329.49    239.839  3206.25    226.632  165.380 5.9769  162.310 5.7545  3.069427       8.296848 
1 1 1 -7  -25 27 o 140.926 3.8982  2412.96    133.296  2206.44    195.257  2593.21    182.417  134.629 5.9773  146.017 5.1487  -11.38750      7.889037 
1 1 1 -7  -25 28 o 290.748 6.1932  10293.42   436.917  10094.28   625.924  10482.66   610.167  287.344 8.9775  292.916 8.5850  -5.571594      12.42167 
1 1 1 -7  -25 29 o 214.995 4.9685  5621.10    259.188  5469.20    374.364  5760.96    359.201  211.781 7.2852  217.427 6.8087  -5.645416      9.971569 
1 1 1 -7  -25 30 o 266.583 5.8508  8650.53    378.453  8359.20    543.942  8923.89    526.893  261.558 8.5708  270.365 8.0317  -8.807190      11.74590 
1 1 1 -7  -25 31 o 204.564 4.7578  5088.17    236.156  5472.21    343.226  4742.91    325.433  211.915 6.6751  197.272 6.7988  14.64238       9.527853 
1 1 1 -7  -25 32 o 76.724  4.8453  718.691    89.739   710.055    141.374  724.519    116.136  75.880  7.7890  76.872  6.2812  -0.9921951     10.00610 
1 1 1 -7  -25 33 o 23.141  7.3163  64.270     45.997   -2.0398    79.280   97.918     56.475   20.800  8.8812  27.971  7.9473  -7.171677      11.91790 
1 1 1 -7  -25 34 o 287.037 8.6937  10076.57   605.488  10264.29   875.563  9904.50    838.236  288.461 12.509  283.479 12.187  4.981567       17.46419 
1 1 1 -7  -25 35 o 125.702 5.2375  1922.90    159.746  2242.21    245.042  1686.90    210.665  135.318 7.4923  117.322 7.4388  17.99638       10.55795 
1 1 1 -7  -25 36 o 19.765  6.3375  46.403     34.421   -3.5753    58.581   72.756     42.538   17.736  7.6052  24.141  6.9107  -6.405783      10.27598 
1 1 1 -7  -25 37 o 49.105  3.9545  295.012    46.717   378.765    77.379   246.972    58.603   55.451  5.8388  44.697  5.5209  10.75479       8.035700 
1 1 1 -7  -25 38 o 118.132 3.7824  1696.45    108.417  1761.53    165.226  1647.24    143.672  120.228 5.6638  116.312 5.0908  3.915886       7.615429 
1 1 1 -7  -25 39 o 165.440 4.3436  3330.38    174.363  3405.96    259.116  3267.84    235.715  167.020 6.3938  163.671 5.9354  3.349869       8.724128 
1 1 1 -7  -25 40 o 106.550 3.7999  1380.88    98.240   1296.19    150.190  1444.21    129.878  102.854 6.0446  108.871 4.9165  -6.017014      7.791614 
1 1 1 -7  -25 41 o 131.647 4.0049  2109.49    127.927  2019.37    193.809  2179.06    170.296  128.509 6.2155  133.643 5.2516  -5.134476      8.137073 
1 1 1 -7  -25 42 o 18.176  6.3250  36.180     34.190   10.861     58.734   49.158     42.049   18.819  7.8153  20.752  7.0211  -1.932783      10.50597 
1 1 1 -7  -25 43 o 98.075  3.7460  1171.31    89.143   1149.99    139.464  1186.03    115.912  96.722  5.9718  98.565  4.8466  -1.843620      7.691023 
1 1 1 -7  -25 44 o 79.597  3.7055  771.847    71.567   736.371    115.347  794.052    91.256   77.218  6.2088  80.500  4.6924  -3.281425      7.782539 
1 1 1 -7  -25 45 o 63.508  3.7677  493.378    57.799   624.727    96.743   420.468    72.077   71.158  5.6496  58.390  5.1398  12.76854       7.637783 
1 1 1 -7  -25 46 o 110.202 3.8445  1481.56    102.801  1515.89    161.721  1458.28    133.168  110.867 6.0344  109.119 5.0297  1.748375       7.855692 
1 1 1 -7  -25 47 o 93.508  5.4420  1077.19    122.938  982.674    189.982  1145.28    161.251  88.129  9.0111  95.969  6.9724  -7.839745      11.39365 
1 1 1 -7  -25 48 o 25.654  7.6277  83.118     50.971   224.011    85.260   4.7541     63.585   41.551  8.7340  18.903  8.0084  22.64778       11.84976 
1 1 1 -7  -25 49 o 46.563  4.7869  268.553    53.313   219.838    119.084  280.764    59.622   40.720  11.530  47.522  5.2588  -6.802631      12.67292 
1 1 1 -7  -25 50 o 85.692  3.9298  897.535    81.710   963.445    137.533  861.580    101.581  87.997  6.4871  83.615  5.0303  4.382233       8.208910 
1 1 1 -7  -25 51 o 60.145  4.2695  445.084    61.903   370.058    110.441  479.453    74.749   53.568  8.8027  62.281  4.9882  -8.712555      10.11781 
1 1 1 -7  -25 52 o 123.763 4.1758  1875.71    125.399  1885.20    201.924  1869.75    159.989  122.967 6.7939  123.200 5.3520  -0.2326202     8.648781 
1 1 1 -7  -25 53 o 51.874  6.1036  337.732    75.356   321.689    146.976  343.453    87.770   48.482  12.434  52.007  7.1441  -3.525013      14.34046 
1 1 1 -7  -25 54 o 78.672  5.6235  769.420    106.641  801.516    194.854  755.697    127.416  78.044  10.561  77.518  6.8445  0.5255890      12.58500 
1 1 1 -7  -25 55 o 74.329  5.9157  690.351    105.808  449.365    192.890  794.072    126.546  56.104  14.167  79.465  6.6234  -23.36138      15.63849 
1 1 1 -7  -25 56 o 62.119  4.4500  477.391    66.628   345.181    124.554  530.389    78.860   50.524  10.503  65.328  5.0133  -14.80376      11.63787 
1 1 1 -7  -25 57 o 59.504  4.5720  439.268    65.507   456.793    121.597  432.103    77.754   59.039  8.7534  58.719  5.5222  0.3202553      10.34975 
1 1 1 -7  -25 58 o 21.005  9.1824  -6.7529    88.786   -6.7529    88.786   0.0000     0.0000   21.005  9.1824  ?       ?       0.000000       9.182378 
1 1 1 -7  -25 59 o 45.121  10.537  281.576    113.274  281.576    113.274  0.0000     0.0000   45.121  10.537  ?       ?       0.000000       10.53725 
1 1 1 -7  -25 60 o 54.369  5.6577  373.227    73.544   249.544    144.802  416.223    85.376   41.597  12.956  57.207  6.2525  -15.61016      14.38576 
1 1 1 -7  -25 61 o 16.992  7.2786  2.1324     53.554   129.053    134.681  -21.7050   58.367   32.782  12.383  16.062  7.2088  16.72032       14.32810 
1 1 1 -7  -25 62 o 23.307  9.2127  46.926     77.105   186.907    151.137  -2.3273    89.650   37.150  13.266  21.270  9.2645  15.88019       16.18062 
1 1 1 -7  -25 63 o 71.312  6.9390  650.615    118.547  761.051    211.775  600.218    143.061  73.447  12.320  67.329  8.9809  6.117973       15.24560 
1 1 1 -7  -25 64 o 32.641  8.0195  142.594    63.058   103.243    141.494  152.346    70.440   31.432  12.462  33.595  8.6037  -2.163338      15.14371 
1 1 1 -7  -25 65 o 13.109  6.2416  -65.0748   54.601   0.0000     0.0000   -65.0748   54.601   ?       ?       13.109  6.2416  0.000000       6.241575 
1 1 1 -7  -24 1  f 297.353 6.4094  10768.91   462.437  11603.27   657.943  9954.34    650.096  308.128 8.8002  285.250 9.3926  22.87753       12.87111 
1 1 1 -7  -24 2  o 384.633 9.0708  18087.70   846.554  18611.85   1042.20  17071.15   1451.39  389.450 11.029  370.591 16.141  18.85889       19.54903 
1 1 1 -7  -24 3  o 85.549  3.5851  888.966    74.418   922.462    109.865  860.570    101.158  86.930  5.2331  83.977  4.9869  2.953064       7.228699 
1 1 1 -7  -24 4  o 156.123 4.2266  2962.09    160.111  3052.53    229.682  2876.59    223.314  158.355 5.9776  153.723 5.9870  4.632141       8.460309 
1 1 1 -7  -24 5  o 188.446 4.6544  4317.14    212.823  4521.76    303.912  4120.23    298.126  192.673 6.5007  183.899 6.6812  8.774033       9.321939 
1 1 1 -7  -24 6  o 159.880 4.2397  3106.47    164.473  3234.56    235.583  2984.66    229.729  163.008 5.9562  156.576 6.0468  6.431580       8.487679 
1 1 1 -7  -24 7  o 126.993 5.3640  1961.97    165.285  0.0000     0.0000   1961.97    165.285  ?       ?       126.993 5.3640  0.000000       5.364026 
1 1 1 -7  -24 8  o 264.154 8.2485  8520.53    528.685  0.0000     0.0000   8520.53    528.685  ?       ?       264.154 8.2485  0.000000       8.248537 
1 1 1 -7  -24 9  f 224.857 7.3014  6165.01    398.358  0.0000     0.0000   6165.01    398.358  ?       ?       224.857 7.3014  0.000000       7.301363 
1 1 1 -7  -24 10 o 122.994 3.7554  1837.70    112.074  1988.49    161.416  1697.34    155.729  127.864 5.2028  118.119 5.4336  9.744370       7.522797 
1 1 1 -7  -24 11 o 116.933 3.6728  1660.90    104.207  1745.93    148.308  1577.99    146.452  119.820 5.1012  113.901 5.2991  5.918976       7.355455 
1 1 1 -7  -24 12 o 160.986 4.2021  3149.20    164.143  3083.72    233.133  3213.56    231.146  159.169 6.0365  162.500 5.8623  -3.331512      8.414590 
1 1 1 -7  -24 13 f 176.612 4.3852  3790.69    187.921  3895.76    266.676  3687.05    264.852  178.896 6.1435  174.026 6.2723  4.870453       8.779784 
1 1 1 -7  -24 14 o 243.627 5.4707  7219.84    323.395  7242.55    458.263  7197.30    456.440  243.687 7.7503  242.926 7.7436  0.7613678      10.95587 
1 1 1 -7  -24 15 o 105.096 3.5508  1341.47    90.546   1414.69    128.736  1269.80    127.377  107.871 4.9185  102.057 5.1605  5.813744       7.129027 
1 1 1 -7  -24 16 o 105.192 3.5428  1343.93    90.427   1296.41    128.726  1390.23    127.058  103.253 5.1381  106.935 4.8968  -3.682220      7.097795 
1 1 1 -7  -24 17 o 245.764 5.4994  7347.23    327.940  7173.45    464.642  7519.72    462.917  242.498 7.8967  248.318 7.6830  -5.819992      11.01755 
1 1 1 -7  -24 18 o 169.304 4.3033  3483.25    176.781  3343.12    250.978  3621.22    249.045  165.714 6.2418  172.496 5.9502  -6.781845      8.623576 
1 1 1 -7  -24 19 o 159.064 4.1646  3074.36    160.735  3015.25    228.373  3132.39    226.268  157.397 5.9798  160.439 5.8123  -3.042313      8.339084 
1 1 1 -7  -24 20 o 114.267 3.6273  1585.98    100.571  1647.73    142.995  1525.54    141.474  116.404 5.0628  111.997 5.2060  4.406845       7.261842 
1 1 1 -7  -24 21 o 124.932 3.7326  1896.00    113.148  1977.55    160.754  1815.94    159.286  127.512 5.1957  122.181 5.3729  5.331902       7.474205 
1 1 1 -7  -24 22 o 238.059 7.5373  6912.27    435.378  7175.12    623.954  6662.85    607.797  241.908 10.630  233.085 10.747  8.822647       15.11603 
1 1 1 -7  -24 23 o 269.998 8.3103  8902.14    544.430  9019.67    778.675  8789.74    761.493  270.865 11.848  267.424 11.736  3.441467       16.67613 
1 1 1 -7  -24 24 o 132.268 5.4100  2128.38    173.626  2149.21    253.536  2109.99    238.264  132.470 7.9242  131.315 7.5090  1.154846       10.91689 
1 1 1 -7  -24 25 o 159.556 5.8740  3098.62    227.411  3315.68    329.632  2901.49    314.144  164.583 8.2807  153.905 8.4445  10.67851       11.82712 
1 1 1 -7  -24 26 o 183.256 5.0964  4084.16    226.613  4054.74    408.065  4097.28    272.494  181.855 9.2787  183.452 6.1217  -1.596802      11.11615 
1 1 1 -7  -24 27 o 151.581 4.0150  2791.75    147.670  2603.75    215.748  2957.46    202.550  146.247 6.0799  155.925 5.3537  -9.677277      8.101046 
1 1 1 -7  -24 28 o 91.225  3.3799  1010.71    74.814   984.562    112.519  1031.43    100.163  89.825  5.1846  92.119  4.4812  -2.293930      6.852826 
1 1 1 -7  -24 29 o 373.609 7.6083  17025.30   689.716  17356.31   983.905  16705.50   967.124  376.212 10.778  369.083 10.799  7.128418       15.25775 
1 1 1 -7  -24 30 o 298.863 6.3426  10877.03   459.940  11185.02   659.389  10585.18   641.871  302.495 8.9838  294.271 8.9895  8.224365       12.70904 
1 1 1 -7  -24 31 o 343.503 7.1478  14384.31   595.754  14345.59   851.848  14421.38   833.498  342.169 10.260  343.153 10.010  -0.9840698     14.33463 
1 1 1 -7  -24 32 o 126.885 3.7487  1955.87    115.414  2222.28    172.790  1741.26    155.083  135.162 5.2687  119.638 5.3423  15.52364       7.503291 
1 1 1 -7  -24 33 o 200.881 6.7585  4917.69    329.420  4726.40    483.896  5082.92    449.720  196.117 10.204  203.858 9.0918  -7.741455      13.66693 
1 1 1 -7  -24 34 o 269.517 8.4214  8876.14    550.725  8349.63    798.654  9353.46    760.436  260.235 12.648  275.861 11.361  -15.62598      17.00128 
1 1 1 -7  -24 35 o 268.902 8.0995  8833.43    528.466  9818.28    768.883  7951.61    727.555  282.605 11.213  254.146 11.798  28.45833       16.27660 
1 1 1 -7  -24 36 o 180.061 6.2435  3950.58    272.781  4298.53    408.002  3669.33    366.817  187.391 8.9732  172.952 8.7696  14.43840       12.54694 
1 1 1 -7  -24 37 o 202.622 4.8694  4995.02    239.400  4954.71    350.237  5030.36    327.982  201.471 7.1645  203.088 6.6558  -1.617172      9.779044 
1 1 1 -7  -24 38 o 148.623 4.0633  2685.58    146.530  2957.00    218.729  2464.59    197.363  155.781 5.7867  142.227 5.7190  13.55377       8.135880 
1 1 1 -7  -24 39 o 272.224 5.9901  9037.24    395.664  9116.23    573.092  8965.29    546.931  272.643 8.6630  270.485 8.3335  2.158081       12.02054 
1 1 1 -7  -24 40 o 302.040 6.4732  11144.28   474.402  11457.90   685.397  10855.85   657.297  305.169 9.2563  297.104 9.1178  8.064117       12.99281 
1 1 1 -7  -24 41 o 105.558 3.6970  1355.32    94.691   1615.20    146.276  1167.85    124.234  115.085 5.2383  97.718  5.2590  17.36740       7.422724 
1 1 1 -7  -24 42 o 64.820  3.7382  512.991    58.545   460.605    95.870   544.145    73.931   60.984  6.5833  66.661  4.5989  -5.677040      8.030574 
1 1 1 -7  -24 43 o 155.150 4.2418  2933.55    159.687  3043.33    241.516  2848.27    212.854  157.597 6.3159  152.593 5.7489  5.004669       8.540476 
1 1 1 -7  -24 44 o 57.320  3.9013  402.166    53.936   309.159    89.341   455.504    67.657   49.512  7.6859  60.919  4.6114  -11.40722      8.963129 
1 1 1 -7  -24 45 f 85.419  3.7276  889.152    77.259   904.070    124.302  879.761    98.622   85.622  6.0214  84.706  4.8183  0.9163818      7.711910 
1 1 1 -7  -24 46 o 143.613 4.1627  2517.75    145.057  2634.64    222.652  2431.54    191.203  146.338 6.2706  140.783 5.5973  5.554749       8.405368 
1 1 1 -7  -24 47 o 136.480 5.8480  2290.20    193.661  2451.29    290.642  2161.56    259.716  139.880 8.6050  131.527 8.1785  8.353745       11.87155 
1 1 1 -7  -24 48 o 89.745  5.4306  992.846    117.698  1008.08    182.727  982.042    153.869  89.418  8.5253  88.722  7.2099  0.6950912      11.16522 
1 1 1 -7  -24 49 o 43.687  6.5571  240.927    67.362   310.349    110.607  199.996    84.929   48.787  9.6853  39.133  9.1141  9.653618       13.29937 
1 1 1 -7  -24 50 o 41.428  4.9762  213.551    49.021   272.063    94.984   192.308    57.232   45.811  8.8656  38.995  6.2606  6.815784       10.85326 
1 1 1 -7  -24 51 o 50.751  4.4852  317.945    54.663   342.001    101.468  308.109    64.883   51.617  8.3897  49.746  5.4655  1.871342       10.01288 
1 1 1 -7  -24 52 o 42.651  5.0035  226.492    50.797   255.458    96.259   215.313    59.802   44.159  9.2786  41.299  6.1558  2.860058       11.13496 
1 1 1 -7  -24 53 o 68.367  5.7333  581.255    94.229   449.424    174.755  635.297    111.888  57.307  12.881  71.239  6.5462  -13.93233      14.44914 
1 1 1 -7  -24 54 o 61.248  5.8643  468.560    86.085   552.595    164.907  437.081    100.929  64.488  10.929  58.697  7.2400  5.791405       13.10969 
1 1 1 -7  -24 55 o 57.085  6.1500  409.580    83.841   567.817    160.769  350.471    98.260   65.427  10.481  52.116  8.0281  13.31079       13.20220 
1 1 1 -7  -24 56 o 66.943  4.3413  553.316    70.135   474.163    127.474  587.679    83.991   60.232  8.9981  68.785  5.0681  -8.553013      10.32724 
1 1 1 -7  -24 57 o 40.009  10.865  219.504    108.195  219.504    108.195  0.0000     0.0000   40.009  10.865  ?       ?       0.000000       10.86474 
1 1 1 -7  -24 58 o 22.893  9.6856  17.571     92.801   17.571     92.801   0.0000     0.0000   22.893  9.6856  ?       ?       0.000000       9.685551 
1 1 1 -7  -24 59 o 18.140  6.9700  29.597     43.135   167.934    94.025   -7.2776    48.545   35.081  10.342  15.515  6.7860  19.56577       12.36972 
1 1 1 -7  -24 60 o 63.074  5.3337  498.704    80.862   644.963    170.239  456.091    91.890   68.894  10.517  59.866  6.4265  9.028004       12.32532 
1 1 1 -7  -24 61 o 55.527  5.8162  389.743    77.200   243.137    159.077  434.907    88.294   41.141  13.654  58.480  6.3231  -17.33929      15.04679 
1 1 1 -7  -24 62 o 60.555  7.6084  474.870    109.324  477.222    199.186  473.855    130.782  56.426  14.477  59.571  9.3563  -3.145294      17.23742 
1 1 1 -7  -24 63 o 24.430  9.1281  64.027     72.779   -94.4249   162.798  103.604    81.362   24.576  11.405  28.615  9.7661  -4.038410      15.01482 
1 1 1 -7  -24 64 o 20.999  8.1757  39.417     59.945   -13.9766   147.929  49.907     65.570   26.146  11.623  22.511  8.6069  3.634178       14.46259 
1 1 1 -7  -24 65 o 19.815  7.9600  28.676     58.487   0.0000     0.0000   28.676     58.487   ?       ?       19.815  7.9600  0.000000       7.959956 
1 1 1 -7  -23 1  o 310.726 6.6555  11761.14   501.791  11942.69   712.918  11582.89   706.407  312.487 9.4025  307.728 9.4607  4.758514       13.33837 
1 1 1 -7  -23 2  o 322.226 6.8423  12650.79   534.967  13152.74   759.461  12156.45   753.687  327.893 9.5457  315.144 9.8564  12.74960       13.72114 
1 1 1 -7  -23 3  o 50.076  3.6737  306.242    44.326   333.236    67.158   285.405    59.004   52.062  5.3946  48.174  5.1266  3.888805       7.442005 
1 1 1 -7  -23 4  f 590.539 11.736  42852.34   1681.69  44810.85   2380.45  40900.98   2376.09  600.319 16.342  572.877 17.094  27.44196       23.64883 
1 1 1 -7  -23 5  o 105.988 3.6215  1364.52    93.133   1390.82    135.255  1340.81    128.431  106.935 5.2128  105.003 5.0408  1.931526       7.251446 
1 1 1 -7  -23 6  o 217.841 7.1807  5784.55    379.553  0.0000     0.0000   5784.55    379.553  ?       ?       217.841 7.1807  0.000000       7.180739 
1 1 1 -7  -23 7  o 182.507 6.4157  4055.99    284.112  0.0000     0.0000   4055.99    284.112  ?       ?       182.507 6.4157  0.000000       6.415725 
1 1 1 -7  -23 8  o 130.229 5.4179  2062.82    171.199  0.0000     0.0000   2062.82    171.199  ?       ?       130.229 5.4179  0.000000       5.417857 
1 1 1 -7  -23 9  o 221.747 5.0737  5978.45    272.988  6197.10    388.267  5764.70    383.897  225.533 7.0951  217.499 7.2743  8.034012       10.16150 
1 1 1 -7  -23 10 o 276.724 5.9499  9317.00    399.500  9462.23    566.208  9173.03    563.757  278.480 8.3795  274.173 8.4743  4.306305       11.91762 
1 1 1 -7  -23 11 o 73.502  3.3447  656.016    59.652   597.719    85.148   712.205    83.595   69.940  5.0515  76.424  4.5282  -6.483818      6.783963 
1 1 1 -7  -23 12 o 67.661  3.3570  555.896    55.114   546.465    78.701   564.972    77.206   66.875  4.8839  68.021  4.7067  -1.146118      6.782745 
1 1 1 -7  -23 13 o 172.996 4.3437  3636.00    182.330  3695.75    258.704  3577.01    257.012  174.290 6.1174  171.462 6.1776  2.827515       8.693993 
1 1 1 -7  -23 14 o 145.875 3.9656  2584.67    140.364  2504.30    199.225  2663.90    197.792  143.498 5.7218  148.014 5.5074  -4.515274      7.941675 
1 1 1 -7  -23 15 o 376.325 7.7254  17257.57   705.417  17154.44   998.417  17360.37   996.807  374.355 10.992  376.620 10.908  -2.265717      15.48550 
1 1 1 -7  -23 16 o 143.739 3.9408  2509.50    137.443  2483.15    195.091  2535.47    193.665  142.897 5.6266  144.400 5.5274  -1.503510      7.887386 
1 1 1 -7  -23 17 o 176.175 4.3870  3770.95    187.534  3841.08    265.945  3701.58    264.486  177.680 6.1687  174.417 6.2496  3.262711       8.781206 
1 1 1 -7  -23 18 o 72.549  3.3459  639.103    58.900   654.009    84.267   624.865    82.358   73.203  4.7703  71.546  4.7715  1.656746       6.747085 
1 1 1 -7  -23 19 o 70.217  3.3625  598.701    57.290   620.483    81.903   577.834    80.165   71.293  4.7620  68.782  4.8341  2.511528       6.785694 
1 1 1 -7  -23 20 o 277.737 5.9863  9385.62    403.420  9350.29    571.611  9420.69    569.440  276.804 8.5107  277.857 8.4462  -1.052399      11.99043 
1 1 1 -7  -23 21 o 210.913 4.8892  5407.67    250.208  5439.90    355.117  5375.90    352.592  211.327 6.9255  210.082 6.9170  1.245682       9.788159 
1 1 1 -7  -23 22 o 126.640 3.7571  1948.08    115.448  1956.55    164.401  1939.84    162.159  126.836 5.3419  126.296 5.2916  0.5398941      7.519139 
1 1 1 -7  -23 23 o 184.065 6.3642  4125.21    284.235  4084.53    409.725  4162.95    394.638  182.555 9.2804  184.600 8.8105  -2.045609      12.79654 
1 1 1 -7  -23 24 o 214.574 7.0209  5610.96    365.538  5580.24    524.755  5639.92    509.480  213.468 10.131  214.674 9.7810  -1.206177      14.08220 
1 1 1 -7  -23 25 o 100.397 4.9540  1225.63    120.681  1455.52    178.284  1031.22    163.954  109.094 6.7686  91.664  7.4356  17.42986       10.05493 
1 1 1 -7  -23 26 o 592.262 16.904  43674.30   2429.20  42784.42   3443.75  44555.62   3427.13  578.043 24.553  590.687 23.912  -12.64429      34.27281 
1 1 1 -7  -23 27 o 25.932  4.9800  84.519     30.196   173.446    49.089   30.390     38.298   37.349  5.5885  17.947  6.6382  19.40260       8.677369 
1 1 1 -7  -23 28 o 318.691 6.6987  12371.71   517.997  12140.65   740.486  12593.14   724.879  315.007 9.6880  320.927 9.3088  -5.920105      13.43543 
1 1 1 -7  -23 29 o 317.708 6.5977  12293.99   508.609  12955.74   727.755  11662.18   711.099  325.543 9.2133  308.792 9.4907  16.75082       13.22717 
1 1 1 -7  -23 30 o 356.687 7.3185  15509.73   633.395  15823.02   904.659  15208.47   887.112  359.400 10.374  352.350 10.376  7.049164       14.67257 
1 1 1 -7  -23 31 o 103.588 3.5957  1303.35    90.377   1133.50    136.097  1437.33    120.878  96.333  5.8502  108.742 4.5813  -12.40846      7.430519 
1 1 1 -7  -23 32 o 170.790 4.3798  3545.07    181.501  3303.39    265.884  3755.97    248.371  164.674 6.6543  175.676 5.8267  -11.00197      8.844787 
1 1 1 -7  -23 33 o 271.744 5.9328  8988.58    391.185  8856.86    563.564  9111.05    543.423  269.250 8.6263  273.178 8.1984  -3.928375      11.90069 
1 1 1 -7  -23 34 o 65.306  5.0460  521.770    79.338   622.480    130.225  462.325    100.050  71.020  7.6793  61.215  6.8535  9.804527       10.29278 
1 1 1 -7  -23 35 o 120.218 5.2133  1758.17    152.072  1989.45    235.492  1592.73    199.167  127.456 7.6501  114.053 7.2344  13.40303       10.52897 
1 1 1 -7  -23 36 o 187.894 6.6007  4302.84    300.931  4048.20    447.140  4513.68    406.867  181.396 10.200  192.113 8.7283  -10.71724      13.42509 
1 1 1 -7  -23 37 o 184.558 4.5654  4142.08    204.443  4275.72    300.676  4027.16    278.812  187.270 6.6171  181.784 6.3211  5.485580       9.151051 
1 1 1 -7  -23 38 o 166.034 4.3724  3352.32    176.149  3268.30    260.977  3422.63    238.731  163.700 6.5704  167.610 5.8701  -3.909454      8.810672 
1 1 1 -7  -23 39 o 125.162 3.8785  1904.41    117.787  2059.76    178.278  1784.07    156.912  130.018 5.6510  121.032 5.3431  8.986198       7.777059 
1 1 1 -7  -23 40 o 126.087 4.0237  1933.53    123.100  1632.78    186.445  2165.96    163.904  115.426 6.6857  133.354 5.0655  -17.92802      8.387935 
1 1 1 -7  -23 41 o 24.579  5.9570  76.698     35.156   19.117     60.819   105.594    43.084   19.827  8.0628  28.845  6.3295  -9.017979      10.25045 
1 1 1 -7  -23 42 o 20.474  6.3418  51.049     34.748   66.468     61.464   43.805     42.127   24.462  8.4823  20.068  7.0188  4.393957       11.00963 
1 1 1 -7  -23 43 o 157.183 4.2349  3010.09    161.515  3186.52    243.538  2871.56    215.802  161.330 6.2214  153.240 5.8039  8.090393       8.508282 
1 1 1 -7  -23 44 o 101.637 3.8019  1258.16    93.759   1234.23    147.658  1274.33    121.366  100.179 6.1037  102.158 4.8962  -1.978737      7.824845 
1 1 1 -7  -23 45 o 49.882  4.0835  305.418    48.991   208.349    83.866   355.701    60.361   40.212  8.8367  53.768  4.6731  -13.55661      9.996217 
1 1 1 -7  -23 46 o 145.331 4.2108  2578.01    148.485  2554.03    227.595  2595.79    195.925  144.049 6.5116  145.508 5.5493  -1.458755      8.555472 
1 1 1 -7  -23 47 o 106.610 5.5197  1398.38    142.294  1385.83    216.783  1407.87    188.613  105.106 8.5750  106.404 7.3505  -1.298462      11.29430 
1 1 1 -7  -23 48 o 63.715  5.6553  502.733    86.522   472.206    136.307  523.333    111.973  60.600  9.5893  64.602  7.2697  -4.002182      12.03341 
1 1 1 -7  -23 49 f 28.727  7.6731  106.255    54.497   -1.1401    98.787   153.236    65.338   22.889  9.8471  34.404  7.9815  -11.51474      12.67557 
1 1 1 -7  -23 50 o 41.176  4.7640  210.497    46.717   144.308    84.488   239.648    56.069   33.410  9.7906  43.841  5.3840  -10.43104      11.17332 
1 1 1 -7  -23 51 o 55.156  4.4525  374.914    59.080   439.291    112.096  350.153    69.520   58.775  8.0735  53.076  5.4768  5.698627       9.755861 
1 1 1 -7  -23 52 o 40.839  5.2487  208.369    50.807   182.174    101.670  217.088    58.656   37.193  10.695  41.523  5.9956  -4.329742      12.26065 
1 1 1 -7  -23 53 o 51.279  4.6952  325.421    57.771   282.341    109.799  341.913    67.935   46.182  10.081  52.406  5.4209  -6.223667      11.44641 
1 1 1 -7  -23 54 o 53.331  6.1832  357.197    78.528   440.592    153.703  327.739    91.350   57.250  11.465  50.591  7.6832  6.658436       13.80107 
1 1 1 -7  -23 55 o 81.603  5.8153  829.427    114.392  798.807    206.026  843.074    137.540  77.403  11.303  81.806  6.9964  -4.403305      13.29325 
1 1 1 -7  -23 56 o 61.778  4.6358  472.563    68.983   348.407    127.156  524.344    82.117   50.796  10.657  64.910  5.2590  -14.11476      11.88388 
1 1 1 -7  -23 57 o 34.517  11.228  157.461    107.781  157.461    107.781  0.0000     0.0000   34.517  11.228  ?       ?       0.000000       11.22840 
1 1 1 -7  -23 58 o 34.341  11.384  156.227    110.593  156.227    110.593  0.0000     0.0000   34.341  11.384  ?       ?       0.000000       11.38383 
1 1 1 -7  -23 59 o 63.816  4.6213  505.861    71.074   512.359    133.198  503.274    84.038   62.252  9.0859  63.339  5.5234  -1.087372      10.63306 
1 1 1 -7  -23 60 o 25.827  8.4708  84.361     61.294   -7.1132    132.843  109.102    69.088   25.287  11.138  28.831  8.9441  -3.544104      14.28490 
1 1 1 -7  -23 61 o 109.507 4.7830  1485.37    127.089  1257.84    236.309  1577.96    150.746  96.921  10.202  112.483 5.5232  -15.56255      11.60087 
1 1 1 -7  -23 62 o 25.947  9.4111  77.536     76.407   102.278    163.147  70.585     86.477   32.730  13.243  26.027  9.9002  6.702925       16.53443 
1 1 1 -7  -23 63 o 37.072  9.6152  187.257    87.223   263.333    160.014  155.096    104.039  42.678  13.662  33.956  11.031  8.722519       17.55964 
1 1 1 -7  -23 64 o 46.018  7.2976  275.435    78.765   0.0000     0.0000   275.435    78.765   ?       ?       46.018  7.2976  0.000000       7.297618 
1 1 1 -7  -23 65 o 40.760  6.7662  215.781    64.571   326.414    138.206  184.888    73.033   47.631  11.972  37.096  8.3190  10.53485       14.57857 
1 1 1 -7  -22 1  o 240.994 5.4944  7065.19    321.282  7403.10    457.439  6736.23    451.346  246.376 7.6519  234.974 7.9163  11.40189       11.01002 
1 1 1 -7  -22 2  o 211.184 4.9949  5423.00    255.949  5714.10    364.602  5140.16    359.388  216.549 6.9390  205.350 7.2128  11.19917       10.00872 
1 1 1 -7  -22 3  o 286.873 6.1872  10018.88   430.674  10752.22   611.456  9296.90    606.703  296.733 8.4925  275.797 9.0661  20.93658       12.42246 
1 1 1 -7  -22 4  o 180.056 4.5143  3940.33    197.227  4273.06    281.246  3618.38    276.652  187.356 6.1867  172.365 6.6149  14.99062       9.057100 
1 1 1 -7  -22 5  f 128.532 5.3627  2009.19    167.246  0.0000     0.0000   2009.19    167.246  ?       ?       128.532 5.3627  0.000000       5.362670 
1 1 1 -7  -22 6  o 218.791 7.1310  5831.57    378.566  0.0000     0.0000   5831.57    378.566  ?       ?       218.791 7.1310  0.000000       7.130971 
1 1 1 -7  -22 7  f 111.445 5.0474  1509.76    136.487  0.0000     0.0000   1509.76    136.487  ?       ?       111.445 5.0474  0.000000       5.047379 
1 1 1 -7  -22 8  o 279.194 6.0443  9482.19    409.463  10013.48   580.992  8957.88    577.164  286.560 8.3558  270.963 8.7786  15.59650       12.11957 
1 1 1 -7  -22 9  o 146.117 3.9740  2593.08    140.893  2572.90    200.200  2612.88    198.318  145.465 5.6721  146.596 5.5754  -1.131302      7.953467 
1 1 1 -7  -22 10 o 119.619 3.6810  1737.52    106.838  1718.20    151.995  1756.38    150.205  118.896 5.2686  120.215 5.1495  -1.318588      7.367187 
1 1 1 -7  -22 11 o 243.901 5.3993  7230.61    319.531  7742.54    452.953  6723.47    450.825  252.180 7.4025  234.941 7.9083  17.23961       10.83230 
1 1 1 -7  -22 12 o 502.867 10.020  30871.50   1222.60  30792.79   1730.02  30950.03   1728.01  500.634 14.242  501.934 14.188  -1.300171      20.10332 
1 1 1 -7  -22 13 o 406.672 8.2174  20147.17   810.858  19924.51   1147.63  20369.13   1145.82  403.560 11.720  408.081 11.572  -4.520752      16.47028 
1 1 1 -7  -22 14 o 336.899 7.0082  13810.90   572.887  14131.69   811.056  13491.49   809.315  340.303 9.8225  332.464 10.033  7.839294       14.04038 
1 1 1 -7  -22 15 o 337.829 7.0219  13887.44   575.592  13735.09   814.812  14039.18   813.209  335.456 10.011  339.175 9.8813  -3.719452      14.06596 
1 1 1 -7  -22 16 o 405.176 8.1931  19998.77   805.484  20199.48   1139.99  19798.68   1138.26  406.380 11.561  402.300 11.661  4.080231       16.42063 
1 1 1 -7  -22 17 o 500.837 9.9898  30621.68   1213.99  31233.33   1717.92  30011.56   1715.78  504.291 14.040  494.213 14.308  10.07794       20.04585 
1 1 1 -7  -22 18 o 243.467 5.3969  7204.85    318.819  7072.95    451.954  7335.50    449.810  240.991 7.7291  245.444 7.5529  -4.453369      10.80671 
1 1 1 -7  -22 19 o 120.038 3.6569  1749.69    106.512  1725.43    151.606  1773.33    149.675  119.147 5.2441  120.795 5.1066  -1.648384      7.319693 
1 1 1 -7  -22 20 o 150.285 4.0178  2743.17    146.511  2793.76    208.059  2693.41    206.347  151.580 5.6569  148.830 5.7140  2.750580       8.040584 
1 1 1 -7  -22 21 o 266.117 5.8193  8613.07    375.759  8654.87    532.526  8571.61    530.288  266.431 8.2374  265.146 8.2426  1.285492       11.65311 
1 1 1 -7  -22 22 o 126.475 3.6738  1942.65    112.742  1725.70    164.862  2133.23    154.522  119.117 5.7041  132.484 4.8069  -13.36788      7.459359 
1 1 1 -7  -22 23 o 227.385 5.0692  6285.82    279.683  6395.43    401.773  6182.78    389.573  229.113 7.2271  225.285 7.1268  3.828125       10.15000 
1 1 1 -7  -22 24 o 134.007 5.4446  2184.14    177.035  1910.55    256.765  2432.06    244.421  124.820 8.5290  141.099 7.1627  -16.27903      11.13765 
1 1 1 -7  -22 25 o 185.596 6.4406  4194.26    290.040  3640.81    417.368  4711.15    403.349  172.188 10.033  196.441 8.4622  -24.25351      13.12532 
1 1 1 -7  -22 26 o 296.795 8.9815  10764.08   646.801  10430.03   922.124  11087.62   907.482  290.990 13.060  300.227 12.457  -9.237000      18.04856 
1 1 1 -7  -22 27 o 216.746 7.0766  5725.08    372.171  5601.39    533.889  5841.99    519.080  213.860 10.289  218.502 9.7907  -4.641785      14.20263 
1 1 1 -7  -22 28 o 245.005 5.4616  7301.79    324.683  7024.38    466.944  7561.46    451.773  239.940 8.0204  249.037 7.4764  -9.096512      10.96467 
1 1 1 -7  -22 29 o 78.068  3.3188  740.109    62.867   887.272    95.859   629.042    83.277   85.312  4.6484  71.773  4.8097  13.53825       6.688850 
1 1 1 -7  -22 30 o 73.405  3.3723  654.368    60.064   628.641    91.695   673.704    79.493   71.700  5.3083  74.324  4.4280  -2.623795      6.912734 
1 1 1 -7  -22 31 f 164.662 4.2890  3294.77    171.361  2926.33    250.818  3617.29    234.669  155.005 6.6688  172.434 5.6088  -17.42928      8.713866 
1 1 1 -7  -22 32 o 246.629 5.4397  7398.84    325.523  7750.88    470.320  7075.12    451.006  252.098 7.6888  240.853 7.7173  11.24474       10.89382 
1 1 1 -7  -22 33 o 107.788 3.5837  1411.16    93.728   1717.98    142.336  1176.27    124.541  118.868 4.9350  98.204  5.2456  20.66311       7.202108 
1 1 1 -7  -22 34 o 72.485  5.0606  642.036    88.447   800.026    141.445  540.596    113.338  80.680  7.3045  66.213  7.1691  14.46728       10.23481 
1 1 1 -7  -22 35 o 37.438  7.0936  176.465    62.078   225.291    99.738   145.588    79.314   42.061  9.9317  33.973  9.3343  8.087456       13.62967 
1 1 1 -7  -22 36 o 26.713  7.9719  88.086     55.599   91.127     84.843   85.797     73.607   28.748  9.9659  27.467  9.2894  1.280354       13.62399 
1 1 1 -7  -22 37 o 201.934 6.6832  4970.76    327.459  5565.56    486.177  4476.87    443.019  213.179 9.3991  191.166 9.5510  22.01295       13.40016 
1 1 1 -7  -22 38 o 225.469 5.2023  6186.79    284.606  6246.49    415.085  6133.83    390.984  226.162 7.5640  224.184 7.1877  1.977341       10.43445 
1 1 1 -7  -22 39 o 93.680  3.6866  1066.55    83.799   966.981    130.556  1136.31    109.281  88.861  6.0919  96.645  4.6601  -7.784111      7.669919 
1 1 1 -7  -22 40 o 128.062 3.9387  1994.09    122.387  1991.49    186.179  1996.06    162.409  127.790 6.0044  128.017 5.2285  -0.2265472     7.961803 
1 1 1 -7  -22 41 o 203.428 4.9344  5041.01    243.560  4944.83    358.906  5123.12    331.604  200.980 7.3598  204.734 6.6752  -3.754150      9.936026 
1 1 1 -7  -22 42 o 67.550  3.7511  556.794    61.239   550.290    99.146   560.805    77.869   66.823  6.1850  67.674  4.7728  -0.8514023     7.812445 
1 1 1 -7  -22 43 o 51.688  4.0298  327.264    50.141   280.704    84.469   352.596    62.306   47.218  7.6332  53.554  4.8474  -6.336006      9.042290 
1 1 1 -7  -22 44 o 68.223  3.7668  568.452    62.113   551.676    102.189  578.282    78.222   66.788  6.3835  68.683  4.7224  -1.895180      7.940425 
1 1 1 -7  -22 45 o 42.751  4.3972  225.300    44.962   269.711    78.178   203.351    54.961   46.278  7.1961  40.346  5.7793  5.931473       9.229460 
1 1 1 -7  -22 46 o 88.115  3.7592  946.352    80.373   975.289    130.345  928.600    102.092  88.920  6.0777  87.018  4.8546  1.902382       7.778574 
1 1 1 -7  -22 47 o 52.827  4.1028  342.667    52.178   291.099    88.706   369.948    64.520   47.849  7.9173  54.767  4.9073  -6.918060      9.314816 
1 1 1 -7  -22 48 o 48.188  7.8401  295.435    88.518   0.0000     0.0000   295.435    88.518   ?       ?       48.188  7.8401  0.000000       7.840076 
1 1 1 -7  -22 49 o 79.722  7.1892  793.877    137.571  0.0000     0.0000   793.877    137.571  ?       ?       79.722  7.1892  0.000000       7.189184 
1 1 1 -7  -22 50 o 67.813  4.4485  565.146    72.791   519.063    165.491  576.200    81.053   62.864  11.263  68.380  4.9180  -5.516109      12.29010 
1 1 1 -7  -22 51 o 68.825  4.2122  581.505    70.004   495.998    125.943  619.734    84.210   62.377  8.5459  70.910  4.9249  -8.533260      9.863435 
1 1 1 -7  -22 52 o 100.975 4.1030  1247.18    100.527  1270.24    168.251  1234.39    125.363  100.928 6.9120  100.084 5.1800  0.8438492      8.637645 
1 1 1 -7  -22 53 o 61.992  4.3056  472.989    64.363   368.359    121.789  513.535    75.814   53.037  9.8256  64.479  4.8820  -11.44198      10.97165 
1 1 1 -7  -22 54 o 72.867  5.9407  661.294    104.121  458.863    189.374  749.003    124.653  57.435  13.768  77.310  6.7117  -19.87510      15.31664 
1 1 1 -7  -22 55 f 26.445  8.1678  88.770     57.687   137.524    125.325  75.663     64.980   33.797  12.079  25.318  8.7248  8.479111       14.90032 
1 1 1 -7  -22 56 o 47.943  13.592  324.704    165.373  324.704    165.373  0.0000     0.0000   47.943  13.592  ?       ?       0.000000       13.59192 
1 1 1 -7  -22 57 o 38.601  13.793  194.094    163.423  194.094    163.423  0.0000     0.0000   38.601  13.793  ?       ?       0.000000       13.79337 
1 1 1 -7  -22 58 o 38.965  6.1728  194.070    56.416   273.775    114.964  168.788    64.748   44.653  10.742  35.832  7.6781  8.821098       13.20361 
1 1 1 -7  -22 59 o 27.905  7.1784  102.305    48.883   62.531     105.771  113.108    55.123   26.916  10.742  29.266  7.6697  -2.349833      13.19933 
1 1 1 -7  -22 60 o 55.321  5.8796  386.569    77.714   419.405    162.400  376.816    88.506   54.220  12.586  54.225  6.8818  -0.4978180E-02 14.34487 
1 1 1 -7  -22 61 o 22.006  8.3017  48.807     60.489   105.540    143.966  36.645     66.658   31.946  12.601  21.504  8.5449  10.44240       15.22492 
1 1 1 -7  -22 62 o 59.529  5.5142  444.897    78.745   439.991    180.141  446.055    87.552   54.955  13.587  59.360  6.1688  -4.405445      14.92136 
1 1 1 -7  -22 63 o 32.679  10.967  140.284    102.594  0.0000     0.0000   140.284    102.594  ?       ?       32.679  10.967  0.000000       10.96749 
1 1 1 -7  -22 64 o 34.014  8.1828  154.587    66.711   0.0000     0.0000   154.587    66.711   ?       ?       34.014  8.1828  0.000000       8.182760 
1 1 1 -7  -22 65 o 26.809  8.1391  94.393     57.592   11.397     133.670  113.312    63.820   26.036  11.327  29.140  8.5006  -3.104870      14.16169 
1 1 1 -7  -21 1  o 116.549 3.7355  1650.01    105.638  1637.98    152.287  1661.16    146.662  116.045 5.4085  116.876 5.1716  -0.8310471     7.483127 
1 1 1 -7  -21 2  o 322.243 6.8337  12648.59   534.318  13753.39   758.075  11557.88   753.229  335.446 9.3138  307.307 10.102  28.13855       13.74003 
1 1 1 -7  -21 3  f 95.180  3.5435  1100.20    81.835   1188.31    119.031  1021.22    112.694  98.743  4.9842  91.508  5.0957  7.234436       7.127985 
1 1 1 -7  -21 4  o 104.680 3.5679  1330.74    90.624   1520.03    130.855  1156.26    125.627  111.833 4.8223  97.373  5.3375  14.46032       7.193321 
1 1 1 -7  -21 5  o 74.989  4.6889  685.961    84.888   0.0000     0.0000   685.961    84.888   ?       ?       74.989  4.6889  0.000000       4.688932 
1 1 1 -7  -21 6  o 340.474 10.083  14159.73   832.948  0.0000     0.0000   14159.73   832.948  ?       ?       340.474 10.083  0.000000       10.08253 
1 1 1 -7  -21 7  o 171.338 4.3370  3565.78    180.305  3843.57    257.260  3297.59    252.779  177.794 5.9634  164.660 6.3269  13.13441       8.694313 
1 1 1 -7  -21 8  o 196.362 4.6980  4683.95    223.838  4697.43    317.547  4670.63    315.571  196.516 6.6595  195.957 6.6370  0.5596313      9.402102 
1 1 1 -7  -21 9  o 41.549  3.4686  211.038    34.649   191.625    49.622   229.508    48.401   39.354  5.3341  43.214  4.6914  -3.860222      7.103622 
1 1 1 -7  -21 10 o 263.518 5.7490  8439.37    367.593  8591.86    520.824  8288.01    518.891  265.662 8.0797  260.910 8.1964  4.752838       11.50925 
1 1 1 -7  -21 11 f 150.657 4.0625  2755.99    148.507  2819.59    211.034  2693.59    209.021  152.323 5.7098  148.878 5.7862  3.445679       8.129112 
1 1 1 -7  -21 12 o 111.152 3.5716  1499.83    96.325   1431.87    136.868  1566.54    135.590  108.566 5.1957  113.565 4.9206  -4.998596      7.155952 
1 1 1 -7  -21 13 o 113.207 3.5633  1555.79    97.879   1537.78    138.917  1573.53    137.931  112.514 5.0885  113.817 4.9945  -1.302971      7.130022 
1 1 1 -7  -21 14 o 88.827  3.3818  957.770    72.888   977.645    103.773  938.419    102.398  89.591  4.7911  87.767  4.8269  1.823982       6.800974 
1 1 1 -7  -21 15 o 112.172 3.5352  1527.46    96.221   1583.77    136.766  1472.26    135.397  114.188 4.9362  110.092 5.0686  4.096901       7.075110 
1 1 1 -7  -21 16 o 113.520 3.5872  1564.43    98.808   1593.73    140.798  1536.01    138.695  114.542 5.0661  112.448 5.0833  2.093933       7.176682 
1 1 1 -7  -21 17 o 145.283 3.9693  2562.79    139.926  2375.77    198.671  2746.89    197.109  139.816 5.8562  150.360 5.4027  -10.54378      7.967667 
1 1 1 -7  -21 18 o 273.811 5.9084  9112.44    392.543  9187.04    556.190  9038.40    554.095  274.678 8.3452  272.443 8.3820  2.235535       11.82789 
1 1 1 -7  -21 19 o 47.707  3.6108  277.900    41.487   253.432    59.493   301.063    57.884   45.333  5.5228  49.544  4.8784  -4.210960      7.368857 
1 1 1 -7  -21 20 o 205.351 4.8142  5122.92    239.876  5147.50    340.338  5098.65    338.145  205.702 6.8188  204.725 6.8072  0.9773865      9.635028 
1 1 1 -7  -21 21 o 171.125 4.2483  3556.75    176.396  3375.82    255.027  3722.71    244.246  166.603 6.3087  174.990 5.7524  -8.387054      8.537586 
1 1 1 -7  -21 22 o 346.504 7.1587  14616.49   601.879  14210.29   857.358  15011.21   845.144  341.017 10.362  350.596 9.9348  -9.579651      14.35483 
1 1 1 -7  -21 23 o 72.133  3.2545  631.734    56.963   632.292    85.386   631.286    76.465   71.962  4.9196  71.951  4.4011  0.1193237E-01  6.600861 
1 1 1 -7  -21 24 o 100.062 3.3905  1215.78    82.319   1200.96    122.122  1228.11    111.443  99.266  5.0874  100.532 4.5686  -1.265968      6.837667 
1 1 1 -7  -21 25 o 103.215 4.9881  1295.10    124.922  1081.60    183.117  1480.96    170.854  93.822  8.1239  110.114 6.4225  -16.29202      10.35601 
1 1 1 -7  -21 26 o 325.393 9.7256  12949.27   767.874  12020.02   1093.26  13854.04   1078.76  311.999 14.441  335.419 13.255  -23.42050      19.60206 
1 1 1 -7  -21 27 o 107.579 5.0844  1407.24    132.719  1404.13    195.004  1409.92    181.149  107.052 7.5558  107.349 6.9928  -0.2969284     10.29515 
1 1 1 -7  -21 28 f 174.967 6.1642  3726.33    261.696  3816.08    377.530  3643.31    363.081  176.758 8.8025  172.509 8.7022  4.249237       12.37794 
1 1 1 -7  -21 29 f 322.176 6.7436  12642.04   527.165  12721.33   754.127  12566.28   737.209  322.530 9.6363  320.600 9.4768  1.929840       13.51549 
1 1 1 -7  -21 30 o 220.781 4.9689  5926.15    266.189  6461.40    385.219  5437.02    368.249  230.311 6.8933  211.230 7.1849  19.08092       9.956945 
1 1 1 -7  -21 31 o 205.791 4.8257  5148.17    240.963  5088.02    349.960  5202.40    332.275  204.354 7.0578  206.690 6.6254  -2.336258      9.680347 
1 1 1 -7  -21 32 o 154.313 4.0897  2893.11    153.130  3018.22    226.144  2787.17    208.098  157.490 5.9179  151.361 5.6662  6.129150       8.193117 
1 1 1 -7  -21 33 o 219.810 5.0481  5874.88    269.240  6027.74    390.721  5736.66    371.530  222.390 7.2408  216.979 7.0569  5.411148       10.11082 
1 1 1 -7  -21 34 o 273.694 5.8945  9116.20    391.451  9578.06    564.529  8688.47    543.272  280.114 8.3059  266.771 8.3929  13.34238       11.80803 
1 1 1 -7  -21 35 o 214.560 7.1336  5611.37    371.383  5447.09    545.630  5753.17    506.932  210.514 10.717  216.836 9.6350  -6.322739      14.41174 
1 1 1 -7  -21 36 o 171.249 6.1749  3570.96    256.578  3700.73    384.081  3466.38    344.802  173.719 9.1441  168.243 8.4735  5.476410       12.46660 
1 1 1 -7  -21 37 o 115.569 5.5489  1625.48    155.601  1236.18    240.661  1905.13    203.970  99.938  10.061  124.841 6.7587  -24.90360      12.12070 
1 1 1 -7  -21 38 o 150.657 4.1778  2758.98    152.723  2654.86    228.245  2843.38    205.505  147.599 6.3731  152.833 5.5417  -5.233734      8.445537 
1 1 1 -7  -21 39 o 92.987  3.6414  1050.70    82.158   1262.97    129.374  907.239    106.356  101.725 5.2595  86.189  5.1084  15.53568       7.332004 
1 1 1 -7  -21 40 o 145.684 4.6263  2582.39    163.535  2690.38    302.194  2537.67    194.471  147.961 8.4524  144.324 5.5533  3.637207       10.11346 
1 1 1 -7  -21 41 o 69.875  3.7443  595.353    63.252   616.316    102.517  582.468    80.374   70.820  6.0231  68.995  4.8315  1.824821       7.721464 
1 1 1 -7  -21 42 o 47.327  4.2107  274.763    47.849   337.932    80.116   239.737    59.657   52.188  6.4652  43.956  5.7297  8.231762       8.638781 
1 1 1 -7  -21 43 o 134.198 4.0152  2192.40    130.743  2289.36    200.048  2120.11    172.740  136.838 6.0251  131.783 5.4022  5.055496       8.092288 
1 1 1 -7  -21 44 o 72.132  3.7292  635.078    65.045   786.356    106.389  544.775    82.198   80.022  5.5129  66.601  5.1259  13.42181       7.527707 
1 1 1 -7  -21 45 o 174.497 4.6303  3716.52    196.048  3444.04    294.397  3933.64    262.795  167.246 7.2546  179.141 6.0458  -11.89505      9.443585 
1 1 1 -7  -21 46 o 69.123  3.8659  584.220    64.579   507.465    107.732  627.269    80.681   63.794  7.0792  71.506  4.6758  -7.712158      8.484024 
1 1 1 -7  -21 47 o 60.058  3.9852  441.963    57.745   392.256    94.697   471.387    72.858   55.931  7.1408  61.883  4.8921  -5.952568      8.655878 
1 1 1 -7  -21 48 o 80.170  5.5272  792.551    106.860  649.078    164.624  897.023    140.478  71.253  9.7799  84.953  6.8739  -13.70007      11.95398 
1 1 1 -7  -21 49 o 84.583  5.4655  882.159    111.569  1021.15    173.646  784.446    145.598  90.229  8.0150  79.109  7.6821  11.12002       11.10197 
1 1 1 -7  -21 50 f 100.907 3.9620  1243.69    97.007   1167.02    156.666  1291.36    123.538  96.925  6.7027  102.627 4.9611  -5.702362      8.339005 
1 1 1 -7  -21 51 o 99.063  4.0651  1199.45    97.711   1119.75    163.261  1243.93    121.967  94.732  7.1554  100.694 4.9920  -5.961662      8.724707 
1 1 1 -7  -21 52 o 172.028 4.7568  3629.21    198.552  3618.07    307.130  3637.22    260.248  170.456 7.4259  171.550 6.2522  -1.094116      9.707387 
1 1 1 -7  -21 53 f 114.491 4.2072  1604.79    116.876  1682.65    193.641  1560.16    146.587  116.162 6.9012  112.569 5.3668  3.592773       8.742398 
1 1 1 -7  -21 54 o 53.783  6.2426  363.089    79.952   427.151    156.887  340.616    92.923   56.259  11.866  51.642  7.6469  4.616768       14.11680 
1 1 1 -7  -21 55 o 39.710  12.851  210.333    141.276  210.333    141.276  0.0000     0.0000   39.710  12.851  ?       ?       0.000000       12.85057 
1 1 1 -7  -21 56 o 23.099  9.8021  13.214     95.510   13.214     95.510   0.0000     0.0000   23.099  9.8021  ?       ?       0.000000       9.802094 
1 1 1 -7  -21 57 o 49.851  5.5628  311.889    66.139   183.280    160.666  338.130    72.574   37.878  13.661  51.832  5.8742  -13.95479      14.87037 
1 1 1 -7  -21 58 o 36.804  6.1221  173.318    52.750   189.302    109.385  168.475    60.214   37.257  11.196  35.968  7.1514  1.289791       13.28502 
1 1 1 -7  -21 59 o 38.800  6.2058  192.775    56.456   414.110    118.789  128.195    64.165   55.950  9.0598  31.060  8.3387  24.88993       12.31310 
1 1 1 -7  -21 60 o 85.817  4.9862  915.638    103.379  738.502    201.204  979.172    120.501  73.174  11.728  88.457  5.6437  -15.28278      13.01557 
1 1 1 -7  -21 61 o 112.627 4.6953  1568.54    128.313  1667.05    230.758  1524.45    154.381  113.492 8.4401  110.358 5.7855  3.134430       10.23263 
1 1 1 -7  -21 62 o 55.110  5.5792  381.842    73.576   362.539    153.682  387.583    83.805   50.426  12.597  55.240  6.3692  -4.813927      14.11565 
1 1 1 -7  -21 63 o 60.954  9.9046  498.422    141.458  0.0000     0.0000   498.422    141.458  ?       ?       60.954  9.9046  0.000000       9.904561 
1 1 1 -7  -21 64 o 48.194  6.4658  297.138    73.703   135.656    163.451  338.351    82.574   34.516  13.483  51.345  6.7950  -16.82839      15.09852 
1 1 1 -7  -21 65 o 14.989  6.7903  -25.5601   53.193   -29.7854   135.732  -24.7934   57.818   24.434  10.978  15.775  7.1189  8.658610       13.08399 
1 1 1 -7  -20 1  o 235.992 7.6458  6788.27    437.806  7542.99    609.345  5982.93    629.446  248.331 10.113  220.536 11.806  27.79503       15.54485 
1 1 1 -7  -20 2  o 104.334 5.0082  1323.11    126.787  1541.86    173.028  1069.47    186.315  112.385 6.3714  93.285  8.3187  19.10088       10.47831 
1 1 1 -7  -20 3  o 282.491 8.7035  9731.92    596.572  10512.78   834.299  8914.92    853.386  292.986 11.736  269.505 13.050  23.48141       17.55089 
1 1 1 -7  -20 4  o 23.549  7.9911  62.364     54.472   0.0000     0.0000   62.364     54.472   ?       ?       23.549  7.9911  0.000000       7.991121 
1 1 1 -7  -20 5  o 388.931 11.317  18487.07   1067.98  0.0000     0.0000   18487.07   1067.98  ?       ?       388.931 11.317  0.000000       11.31687 
1 1 1 -7  -20 6  o 107.061 3.5927  1391.54    93.330   1413.54    134.793  1371.29    129.353  107.865 5.1502  106.245 5.0177  1.620399       7.190391 
1 1 1 -7  -20 7  o 85.118  3.3589  879.460    69.371   812.401    99.337   943.295    96.920   81.625  5.0403  88.015  4.5539  -6.389946      6.792787 
1 1 1 -7  -20 8  o 130.394 3.7515  2064.09    118.694  2058.36    168.676  2069.72    167.054  130.169 5.3405  130.530 5.2745  -0.3608398     7.506067 
1 1 1 -7  -20 9  o 503.796 10.063  30927.53   1230.09  30929.37   1740.63  30925.69   1738.60  502.702 14.270  502.677 14.254  0.2502441E-01  20.16990 
1 1 1 -7  -20 10 o 278.809 6.0233  9444.95    407.479  9375.43    577.156  9514.05    575.373  277.569 8.5696  279.622 8.4804  -2.053223      12.05628 
1 1 1 -7  -20 11 o 319.733 6.6794  12424.61   518.189  12410.22   733.702  12438.94   731.960  319.261 9.4713  319.634 9.4378  -0.3733215     13.37079 
1 1 1 -7  -20 12 o 174.649 4.3285  3703.25    183.431  3800.14    260.076  3607.35    258.749  176.857 6.0606  172.307 6.1889  4.549835       8.662169 
1 1 1 -7  -20 13 o 75.579  3.2974  693.295    60.470   751.020    86.363   637.777    84.696   78.516  4.5528  72.309  4.8554  6.206467       6.656062 
1 1 1 -7  -20 14 o 72.654  3.3169  640.666    58.473   544.051    83.245   734.761    82.152   66.731  5.1819  77.671  4.3770  -10.94010      6.783053 
1 1 1 -7  -20 15 o 183.876 4.4740  4105.10    199.612  3970.88    283.135  4237.74    281.462  180.768 6.4552  186.755 6.2113  -5.986847      8.958196 
1 1 1 -7  -20 16 o 333.519 6.9162  13520.88   559.694  13344.77   792.514  13696.12   790.544  331.013 9.8673  335.362 9.7151  -4.349060      13.84729 
1 1 1 -7  -20 17 o 287.301 6.1448  10029.65   428.361  10027.38   606.870  10031.91   604.724  287.042 8.7134  287.110 8.6805  -0.6817627E-01 12.29934 
1 1 1 -7  -20 18 o 521.496 10.381  33148.46   1313.58  33062.92   1858.76  33233.81   1856.61  519.593 14.743  520.953 14.688  -1.359375      20.81099 
1 1 1 -7  -20 19 o 130.883 3.7729  2079.63    119.820  2062.39    170.411  2096.49    168.506  130.295 5.3902  131.371 5.2863  -1.075867      7.549794 
1 1 1 -7  -20 20 o 87.894  3.2964  937.734    70.301   814.564    103.716  1042.43    95.619   81.716  5.2588  92.654  4.2532  -10.93787      6.763513 
1 1 1 -7  -20 21 o 109.121 3.4888  1445.54    92.374   1144.92    135.689  1705.20    126.110  96.886  5.7986  118.495 4.3862  -21.60874      7.270631 
1 1 1 -7  -20 22 o 404.403 8.2635  19919.15   810.851  18420.31   1152.97  21385.91   1140.56  387.981 12.247  418.332 11.237  -30.35074      16.62104 
1 1 1 -7  -20 23 f 22.223  5.3571  62.441     28.549   110.289    44.100   27.925     37.456   29.551  6.3403  17.531  6.5488  12.02025       9.115197 
1 1 1 -7  -20 24 o 288.721 6.1393  10139.40   430.090  9897.90    614.902  10370.71   601.788  284.857 8.8964  291.650 8.5039  -6.792236      12.30700 
1 1 1 -7  -20 25 o 119.192 5.1840  1727.00    149.927  1439.30    218.285  1983.94    206.281  108.320 8.3702  127.492 6.6916  -19.17247      10.71624 
1 1 1 -7  -20 26 o 235.019 7.4884  6730.95    427.025  6368.81    610.711  7077.38    597.320  228.015 11.038  240.527 10.235  -12.51187      15.05321 
1 1 1 -7  -20 27 o 184.519 6.3776  4144.69    285.539  3951.91    410.206  4325.90    397.709  179.570 9.4479  188.234 8.7077  -8.663666      12.84860 
1 1 1 -7  -20 28 o 231.940 7.3802  6556.97    415.342  6828.78    594.511  6297.82    580.503  236.165 10.375  226.762 10.550  9.402374       14.79690 
1 1 1 -7  -20 29 o 84.487  3.3748  866.833    69.184   831.280    104.956  894.153    92.002   82.513  5.2698  85.664  4.4415  -3.151009      6.891870 
1 1 1 -7  -20 30 o 305.992 6.4737  11399.30   480.645  11273.70   688.742  11518.54   671.071  303.726 9.3457  307.086 9.0063  -3.359955      12.97900 
1 1 1 -7  -20 31 o 120.683 3.6946  1768.97    108.187  1666.44    161.409  1852.61    145.781  117.042 5.6836  123.451 4.8668  -6.409088      7.482561 
1 1 1 -7  -20 32 o 298.668 6.4083  10859.34   464.407  10611.73   666.625  11092.83   647.341  294.680 9.3232  301.393 8.8519  -6.713226      12.85609 
1 1 1 -7  -20 33 o 92.664  3.5312  1042.83    79.395   1251.95    120.427  882.055    105.593  101.481 4.8907  85.017  5.1430  16.46432       7.097150 
1 1 1 -7  -20 34 o 103.139 4.5331  1292.86    113.444  2114.45    209.258  950.894    135.004  131.773 6.5447  88.151  6.3544  43.62206       9.122066 
1 1 1 -7  -20 35 o 90.184  5.1681  992.291    112.619  1125.33    176.794  901.443    146.095  95.756  7.6736  85.718  7.0878  10.03852       10.44613 
1 1 1 -7  -20 36 o 230.841 7.4244  6497.94    415.852  6721.80    612.643  6306.67    566.294  234.123 10.784  226.887 10.286  7.235489       14.90360 
1 1 1 -7  -20 37 o 147.381 5.8255  2644.00    208.325  2544.40    317.900  2718.95    275.797  143.945 9.1494  149.084 7.6500  -5.138626      11.92614 
1 1 1 -7  -20 38 o 13.291  5.7577  -5.1745    34.252   -30.1631   59.097   7.4659     42.031   16.036  7.2206  15.968  6.6196  0.6848240E-01  9.795765 
1 1 1 -7  -20 39 o 95.082  3.6917  1098.53    85.171   1144.45    132.377  1066.10    111.257  96.781  5.6618  93.481  4.9223  3.299881       7.502345 
1 1 1 -7  -20 40 o 180.142 5.1520  3950.62    225.195  4174.60    409.886  3853.78    269.517  184.493 9.1563  177.777 6.2481  6.716583       11.08494 
1 1 1 -7  -20 41 o 156.157 4.2907  2966.63    162.577  2914.80    244.321  3007.82    217.795  154.507 6.5170  157.069 5.7147  -2.561584      8.667711 
1 1 1 -7  -20 42 f 151.553 4.1850  2795.15    153.894  3049.23    232.947  2598.38    205.000  158.022 6.0754  145.916 5.7901  12.10616       8.392614 
1 1 1 -7  -20 43 o 76.221  3.7493  706.873    69.340   621.951    112.842  758.393    87.892   70.978  6.6289  78.757  4.6195  -7.779373      8.079711 
1 1 1 -7  -20 44 o 143.594 4.1762  2511.94    145.505  2537.93    221.740  2492.29    192.827  143.943 6.3487  142.801 5.5651  1.142380       8.442572 
1 1 1 -7  -20 45 o 50.235  4.1546  309.685    50.186   326.771    85.281   300.634    62.072   51.086  7.0694  49.318  5.2686  1.767551       8.816775 
1 1 1 -7  -20 46 o 48.005  4.2347  283.283    48.821   262.464    81.483   294.943    60.978   45.515  7.6496  48.828  5.2280  -3.313553      9.265455 
1 1 1 -7  -20 47 o 99.082  3.8541  1197.15    92.657   1166.88    147.244  1216.99    119.223  97.220  6.2755  99.739  4.9264  -2.519600      7.978128 
1 1 1 -7  -20 48 o 97.583  5.5067  1172.05    129.853  1181.14    198.554  1165.26    171.650  97.009  8.5217  96.756  7.3668  0.2525940      11.26451 
1 1 1 -7  -20 49 o 153.035 6.2494  2886.02    232.056  2912.06    345.218  2864.57    313.433  151.982 9.4076  151.213 8.5780  0.7689209      12.73121 
1 1 1 -7  -20 50 o 49.281  4.6706  299.943    55.183   293.797    118.472  301.646    62.361   47.244  10.596  49.299  5.2963  -2.054771      11.84591 
1 1 1 -7  -20 51 o 61.039  4.3952  458.164    64.660   499.434    116.670  439.868    77.682   62.877  7.8159  59.589  5.4323  3.287151       9.518344 
1 1 1 -7  -20 52 o 166.053 4.6757  3379.57    188.389  3423.13    292.385  3348.64    246.338  165.935 7.2619  164.676 6.1651  1.259323       9.525955 
1 1 1 -7  -20 53 o 104.882 4.1278  1346.06    105.047  1583.52    175.657  1213.85    131.067  112.897 6.4391  99.135  5.4700  13.76194       8.448774 
1 1 1 -7  -20 54 o 159.906 8.5242  3234.80    329.542  0.0000     0.0000   3234.80    329.542  ?       ?       159.906 8.5242  0.000000       8.524192 
1 1 1 -7  -20 55 o 41.986  13.398  238.520    153.974  238.520    153.974  0.0000     0.0000   41.986  13.398  ?       ?       0.000000       13.39779 
1 1 1 -7  -20 56 o 53.864  9.7992  383.904    123.354  383.904    123.354  0.0000     0.0000   53.864  9.7992  ?       ?       0.000000       9.799223 
1 1 1 -7  -20 57 o 42.701  5.9226  230.785    59.712   43.326     120.644  291.606    68.720   27.124  11.227  48.053  6.0264  -20.92921      12.74251 
1 1 1 -7  -20 58 o 18.485  7.2413  27.513     47.246   -149.8759  106.781  70.694     52.684   17.474  8.4255  23.915  7.8537  -6.440960      11.51825 
1 1 1 -7  -20 59 o 64.066  4.8336  510.295    74.585   472.200    140.628  525.205    87.978   59.280  10.141  64.714  5.6598  -5.433884      11.61378 
1 1 1 -7  -20 60 o 71.984  5.0399  645.155    87.474   315.004    173.575  757.547    101.274  46.437  14.137  77.890  5.3918  -31.45290      15.13034 
1 1 1 -7  -20 61 o 95.272  5.2907  1130.64    121.823  1074.00    341.510  1138.90    130.402  83.090  17.492  95.444  5.6560  -12.35432      18.38404 
1 1 1 -7  -20 62 o 80.820  5.6536  817.351    110.170  0.0000     0.0000   817.351    110.170  ?       ?       80.820  5.6536  0.000000       5.653594 
1 1 1 -7  -20 63 o 72.102  8.9766  682.246    153.645  0.0000     0.0000   682.246    153.645  ?       ?       72.102  8.9766  0.000000       8.976609 
1 1 1 -7  -20 64 o 62.573  5.5758  491.920    83.769   319.041    177.251  541.636    95.054   46.411  14.314  65.487  6.0505  -19.07626      15.54068 
1 1 1 -7  -20 65 o 33.477  8.2816  150.526    66.899   218.173    150.872  133.970    74.638   39.188  13.299  31.511  9.1931  7.676622       16.16733 
1 1 1 -7  -19 1  o 144.620 5.5859  2542.75    196.013  2478.31    269.249  2615.40    285.909  142.421 7.8214  146.284 8.0864  -3.863098      11.25007 
1 1 1 -7  -19 2  o 272.704 8.4541  9061.50    559.404  9768.38    781.903  8320.29    800.664  282.642 11.401  260.614 12.662  22.02774       17.03833 
1 1 1 -7  -19 3  o 149.362 8.2658  2724.87    298.397  0.0000     0.0000   2724.87    298.397  ?       ?       149.362 8.2658  0.000000       8.265766 
1 1 1 -7  -19 4  o 338.998 14.289  14082.62   1175.34  0.0000     0.0000   14082.62   1175.34  ?       ?       338.998 14.289  0.000000       14.28901 
1 1 1 -7  -19 5  o 130.595 7.7423  2081.95    244.242  0.0000     0.0000   2081.95    244.242  ?       ?       130.595 7.7423  0.000000       7.742324 
1 1 1 -7  -19 6  o 279.003 8.5354  9472.22    577.826  10072.30   809.759  8849.66    824.788  287.339 11.614  269.200 12.627  18.13876       17.15630 
1 1 1 -7  -19 7  o 93.333  4.7263  1060.45    106.686  1055.62    145.764  1066.02    156.567  92.978  6.5020  93.394  6.9590  -0.4157181     9.523845 
1 1 1 -7  -19 8  o 166.823 7.5644  3383.28    306.192  3455.06    376.847  3243.84    525.250  168.243 9.2670  162.443 13.447  5.800079       16.33090 
1 1 1 -7  -19 9  o 247.875 6.2558  7464.17    376.254  7154.35    646.772  7622.66    462.584  242.337 10.999  250.412 7.6133  -8.075256      13.37714 
1 1 1 -7  -19 10 o 561.537 11.120  38412.00   1515.08  39228.18   2143.60  37597.28   2141.69  566.354 15.599  554.363 15.922  11.99078       22.28976 
1 1 1 -7  -19 11 o 160.378 4.1221  3122.21    160.410  3218.47    227.543  3027.11    226.171  162.788 5.7607  157.870 5.9043  4.918015       8.249052 
1 1 1 -7  -19 12 o 97.010  3.3856  1142.16    79.693   1114.58    113.194  1169.26    112.219  95.688  4.8917  98.137  4.7127  -2.449837      6.792495 
1 1 1 -7  -19 13 o 254.748 5.6130  7881.20    346.953  7698.78    491.367  8062.58    489.968  251.649 8.0472  257.540 7.8408  -5.890594      11.23547 
1 1 1 -7  -19 14 o 106.102 3.4902  1366.32    89.855   1319.26    127.917  1412.17    126.248  104.237 5.0576  107.849 4.8244  -3.612030      6.989589 
1 1 1 -7  -19 15 o 170.676 4.2714  3536.19    176.892  3484.43    251.081  3587.19    249.255  169.370 6.1096  171.853 5.9775  -2.483658      8.547405 
1 1 1 -7  -19 16 o 578.147 11.411  40726.77   1600.69  39584.31   2264.68  41867.29   2262.75  568.676 16.413  584.991 15.941  -16.31555      22.88011 
1 1 1 -7  -19 17 o 259.570 5.6357  8183.05    354.948  8036.19    502.918  8328.81    501.033  257.084 8.0623  261.735 7.8893  -4.651123      11.28018 
1 1 1 -7  -19 18 o 173.837 4.2503  3668.59    179.276  3520.50    258.377  3806.08    248.955  170.227 6.2555  177.015 5.7963  -6.787231      8.528055 
1 1 1 -7  -19 19 f 93.618  3.3090  1063.74    75.166   1082.70    110.771  1047.56    102.332  94.301  4.8576  92.886  4.5404  1.414551       6.649226 
1 1 1 -7  -19 20 o 279.899 5.9566  9518.55    404.541  9358.81    577.829  9672.12    566.552  277.322 8.5872  281.955 8.2813  -4.633698      11.92976 
1 1 1 -7  -19 21 o 135.161 3.7361  2217.72    122.527  2146.37    178.629  2281.12    168.384  132.918 5.5386  137.043 5.0638  -4.124435      7.504605 
1 1 1 -7  -19 22 o 355.663 7.3216  15387.21   631.845  14893.27   899.817  15867.65   887.440  349.400 10.614  360.736 10.139  -11.33600      14.67808 
1 1 1 -7  -19 23 o 154.686 4.0001  2905.47    150.138  2858.63    218.569  2947.31    206.591  153.357 5.8738  155.737 5.4671  -2.380127      8.024402 
1 1 1 -7  -19 24 o 278.657 5.9614  9440.89    403.071  9385.35    576.784  9493.89    563.505  277.518 8.5656  279.153 8.3194  -1.635193      11.94076 
1 1 1 -7  -19 25 o 136.224 3.7581  2253.48    124.220  2500.02    182.228  2039.48    169.779  143.418 5.2366  129.529 5.4020  13.88925       7.523479 
1 1 1 -7  -19 26 o 376.626 10.977  17361.36   1003.10  16844.04   1424.96  17869.54   1412.33  369.195 15.907  380.530 15.296  -11.33426      22.06801 
1 1 1 -7  -19 27 o 236.811 7.5097  6833.91    431.510  6751.41    616.647  6913.07    604.043  234.816 10.823  237.680 10.474  -2.863815      15.06118 
1 1 1 -7  -19 28 o 307.809 9.2027  11575.09   687.320  11863.43   978.848  11294.66   965.329  310.549 12.990  302.968 13.132  7.581360       18.47121 
1 1 1 -7  -19 29 o 142.322 5.5741  2463.79    192.491  2530.35    278.208  2402.67    266.609  143.814 8.0044  140.147 7.8721  3.667206       11.22673 
1 1 1 -7  -19 30 o 43.756  3.7705  234.269    39.640   273.435    61.724   206.776    51.714   47.097  5.5051  40.892  5.3395  6.205341       7.669175 
1 1 1 -7  -19 31 o 274.360 5.9174  9158.32    393.928  9203.04    566.427  9116.43    548.218  274.613 8.5008  273.362 8.2652  1.251312       11.85647 
1 1 1 -7  -19 32 o 174.320 4.4260  3692.52    187.208  3398.99    273.790  3950.26    256.553  167.071 6.7539  180.192 5.8678  -13.12144      8.946854 
1 1 1 -7  -19 33 o 176.352 4.4341  3779.19    189.737  3840.70    277.777  3725.40    259.784  177.621 6.4452  174.964 6.1193  2.657043       8.887414 
1 1 1 -7  -19 34 o 292.527 6.2817  10416.09   445.871  10710.90   641.448  10140.50   620.204  296.139 8.9269  288.158 8.8703  7.981171       12.58460 
1 1 1 -7  -19 35 o 14.072  6.2736  -17.8933   43.422   -146.6121  82.128   32.049     51.157   14.747  7.1768  19.817  7.5963  -5.070434      10.45035 
1 1 1 -7  -19 36 o 79.961  5.0220  780.500    96.942   1022.80    156.494  629.630    123.488  91.338  7.1175  71.515  7.2150  19.82245       10.13486 
1 1 1 -7  -19 37 o 184.253 6.5230  4135.33    291.624  4147.77    437.826  4125.40    390.977  183.801 9.8531  183.734 8.7700  0.6735229E-01  13.19074 
1 1 1 -7  -19 38 o 123.017 5.5278  1841.66    164.999  1676.21    257.639  1956.71    214.837  116.693 9.1731  126.488 7.0277  -9.794426      11.55570 
1 1 1 -7  -19 39 o 136.193 4.0172  2254.36    132.753  2301.70    200.584  2217.46    177.085  137.462 6.0138  134.975 5.4071  2.487030       8.087191 
1 1 1 -7  -19 40 o 171.863 4.5221  3592.59    188.577  3359.65    280.480  3784.76    254.750  165.906 6.9675  176.233 5.9575  -10.32712      9.167173 
1 1 1 -7  -19 41 o 262.319 5.8197  8389.27    370.420  8641.30    539.102  8163.88    509.830  265.538 8.3672  258.168 8.1388  7.369507       11.67261 
1 1 1 -7  -19 42 o 134.614 4.0313  2204.53    131.675  2294.28    200.627  2136.61    174.523  137.093 6.0313  132.375 5.4336  4.717682       8.117887 
1 1 1 -7  -19 43 f 215.034 5.0955  5638.90    265.865  5855.43    392.523  5455.37    361.384  218.499 7.4038  211.006 7.0585  7.492233       10.22925 
1 1 1 -7  -19 44 o 174.270 5.1305  3707.00    216.941  3819.26    397.527  3659.40    258.891  175.413 9.3738  172.913 6.1706  2.500626       11.22247 
1 1 1 -7  -19 45 o 121.220 3.9647  1790.20    116.612  1842.36    180.759  1753.02    152.619  122.628 6.0750  119.766 5.2518  2.862640       8.030408 
1 1 1 -7  -19 46 o 140.693 4.1810  2414.18    142.730  2439.85    218.826  2395.18    188.298  140.941 6.3988  139.858 5.5488  1.083710       8.469524 
1 1 1 -7  -19 47 o 114.388 3.9901  1595.95    110.746  1481.75    173.442  1674.56    143.900  109.535 6.5559  116.979 5.0698  -7.443428      8.287533 
1 1 1 -7  -19 48 o 40.495  6.9433  207.879    65.767   192.270    105.716  217.735    84.001   38.430  10.858  41.062  8.7015  -2.631256      13.91410 
1 1 1 -7  -19 49 o 78.068  5.6184  752.321    105.715  816.871    165.220  707.576    137.559  80.475  8.5943  75.145  7.6512  5.330040       11.50663 
1 1 1 -7  -19 50 o 44.046  6.8436  245.236    70.767   206.285    116.885  267.776    88.915   39.666  11.485  45.674  8.3301  -6.007156      14.18769 
1 1 1 -7  -19 51 o 48.869  4.7934  295.334    56.106   318.639    104.495  285.894    66.505   49.692  8.9978  47.851  5.8498  1.841480       10.73218 
1 1 1 -7  -19 52 o 109.077 4.1471  1454.88    109.759  1441.52    181.458  1462.59    137.833  107.588 6.9889  109.119 5.2058  -1.530540      8.714652 
1 1 1 -7  -19 53 o 59.087  4.6525  430.680    66.163   472.360    119.528  412.268    79.444   60.858  8.3118  57.546  5.7672  3.312241       10.11667 
1 1 1 -7  -19 54 o 72.652  11.786  702.169    200.654  702.169    200.654  0.0000     0.0000   72.652  11.786  ?       ?       0.000000       11.78633 
1 1 1 -7  -19 55 o 79.114  11.771  835.479    219.082  835.479    219.082  0.0000     0.0000   79.114  11.771  ?       ?       0.000000       11.77132 
1 1 1 -7  -19 56 o 23.588  7.5422  69.033     48.776   13.513     106.491  83.773     54.870   24.255  10.323  25.714  7.9699  -1.458319      13.04185 
1 1 1 -7  -19 57 o 39.656  5.9831  199.670    55.779   71.189     117.493  237.053    63.376   28.592  11.350  43.203  6.2254  -14.61145      12.94513 
1 1 1 -7  -19 58 o 43.541  5.7830  239.724    59.585   374.079    120.951  196.668    68.470   52.928  9.7783  38.826  7.5398  14.10188       12.34764 
1 1 1 -7  -19 59 o 80.386  4.5428  799.559    88.244   748.994    162.754  820.613    105.020  75.662  9.0445  81.132  5.3651  -5.469673      10.51606 
1 1 1 -7  -19 60 o 43.712  6.8453  245.889    70.222   156.495    149.563  271.167    79.533   35.494  13.120  45.734  7.4214  -10.23968      15.07382 
1 1 1 -7  -19 61 o 49.644  6.2680  313.101    73.819   293.257    156.708  318.760    83.685   45.195  13.359  49.778  7.1325  -4.582382      15.14426 
1 1 1 -7  -19 62 o 57.206  6.6518  416.324    90.607   0.0000     0.0000   416.324    90.607   ?       ?       57.206  6.6518  0.000000       6.651831 
1 1 1 -7  -19 63 o 53.710  15.473  436.135    212.643  436.135    212.643  0.0000     0.0000   53.710  15.473  ?       ?       0.000000       15.47325 
1 1 1 -7  -19 64 o 64.481  6.1358  525.686    94.842   318.709    282.505  551.977    100.686  46.403  17.836  65.986  6.3676  -19.58303      18.93829 
1 1 1 -7  -19 65 o 15.200  6.9746  -36.5771   58.487   -56.0531   132.871  -31.8966   65.137   23.164  10.586  16.469  7.4818  6.694658       12.96285 
1 1 1 -7  -18 1  o 92.990  6.5700  1056.73    147.286  1056.73    147.286  0.0000     0.0000   92.990  6.5700  ?       ?       0.000000       6.569990 
1 1 1 -7  -18 2  o 309.545 13.258  11722.10   995.789  0.0000     0.0000   11722.10   995.789  ?       ?       309.545 13.258  0.000000       13.25802 
1 1 1 -7  -18 3  o 392.682 16.219  18917.81   1545.40  0.0000     0.0000   18917.81   1545.40  ?       ?       392.682 16.219  0.000000       16.21948 
1 1 1 -7  -18 4  f 441.658 18.000  23959.33   1928.95  0.0000     0.0000   23959.33   1928.95  ?       ?       441.658 18.000  0.000000       17.99994 
1 1 1 -7  -18 5  o 33.183  5.4795  137.275    42.579   109.567    58.794   167.834    61.746   29.537  8.0041  36.524  7.2231  -6.987583      10.78138 
1 1 1 -7  -18 6  o 99.104  4.7473  1192.43    114.157  1084.34    156.124  1316.61    167.346  94.217  6.8768  103.886 6.6742  -9.668152      9.583047 
1 1 1 -7  -18 7  o 259.479 8.0353  8184.79    505.907  8734.32    708.870  7614.34    722.239  267.823 10.908  249.975 11.907  17.84804       16.14863 
1 1 1 -7  -18 8  f 196.857 6.5406  4707.50    312.416  4646.93    436.026  4771.39    447.856  195.465 9.1935  198.059 9.3192  -2.593292      13.09075 
1 1 1 -7  -18 9  o 211.223 6.9153  5420.18    354.419  6000.69    495.656  4812.84    506.985  222.129 9.1963  198.577 10.560  23.55162       14.00308 
1 1 1 -7  -18 10 o 465.720 9.3246  26378.31   1053.70  26617.52   1491.02  26139.66   1489.31  467.262 13.151  463.031 13.256  4.231323       18.67266 
1 1 1 -7  -18 11 o 501.504 10.012  30597.90   1218.29  30078.01   1723.75  31116.79   1722.10  496.507 14.308  505.059 14.052  -8.551575      20.05481 
1 1 1 -7  -18 12 o 407.537 8.3017  20188.03   820.916  20168.80   1161.85  20207.20   1160.05  406.954 11.766  407.345 11.737  -0.3911133     16.61926 
1 1 1 -7  -18 13 o 409.152 8.3274  20348.54   826.721  19853.95   1170.14  20841.48   1168.18  403.742 11.945  413.702 11.637  -9.960327      16.67645 
1 1 1 -7  -18 14 o 503.087 10.039  30791.71   1225.47  30703.53   1734.04  30879.69   1732.11  501.656 14.246  503.105 14.189  -1.448303      20.10658 
1 1 1 -7  -18 15 o 469.575 9.3920  26817.72   1070.10  26743.57   1514.40  26891.66   1512.30  468.337 13.327  469.642 13.271  -1.304657      18.80748 
1 1 1 -7  -18 16 o 215.770 4.9695  5652.32    260.175  5885.75    368.849  5421.18    367.044  220.108 6.9064  211.232 7.1613  8.875992       9.949006 
1 1 1 -7  -18 17 o 205.445 4.6800  5124.02    233.294  5360.82    334.786  4900.48    325.274  210.073 6.5680  200.846 6.6745  9.226349       9.364199 
1 1 1 -7  -18 18 o 272.128 5.8308  8993.69    385.007  8574.21    549.672  9397.69    539.435  265.546 8.5310  278.044 7.9958  -12.49756      11.69233 
1 1 1 -7  -18 19 f 92.814  3.2924  1045.48    74.145   1104.68    109.796  995.854    100.530  95.387  4.7439  90.453  4.5956  4.934517       6.604824 
1 1 1 -7  -18 20 o 31.905  4.1526  125.654    31.385   165.625    48.971   97.793     40.886   36.490  5.7188  27.826  6.2128  8.664490       8.444163 
1 1 1 -7  -18 21 o 459.551 9.2324  25705.29   1029.47  24802.20   1461.99  26593.46   1449.86  450.598 13.372  466.719 12.803  -16.12064      18.51266 
1 1 1 -7  -18 22 o 390.932 7.8992  18590.71   749.289  18827.11   1066.01  18359.87   1053.42  392.883 11.182  387.976 11.190  4.907227       15.81964 
1 1 1 -7  -18 23 o 299.623 6.2518  10911.77   454.513  11535.31   649.377  10312.94   636.377  307.797 8.6950  290.994 9.0130  16.80377       12.52342 
1 1 1 -7  -18 24 o 89.921  3.3346  981.555    72.755   1220.00    108.905  789.351    97.776   100.226 4.4782  80.450  5.0342  19.77567       6.737765 
1 1 1 -7  -18 25 o 319.932 6.7122  12451.81   521.056  12173.79   744.030  12719.41   729.942  315.872 9.7077  322.946 9.3153  -7.073486      13.45409 
1 1 1 -7  -18 26 o 217.150 7.0251  5739.84    370.149  5998.82    528.880  5491.19    518.222  221.642 9.8342  212.023 10.073  9.618866       14.07770 
1 1 1 -7  -18 27 o 177.125 6.1857  3817.01    265.846  3948.22    381.662  3693.35    370.513  179.890 8.7439  173.760 8.8169  6.130539       12.41748 
1 1 1 -7  -18 28 o 162.250 5.9266  3202.64    233.322  3268.68    336.237  3141.31    324.035  163.456 8.5071  160.254 8.3623  3.202271       11.92893 
1 1 1 -7  -18 29 o 315.258 9.4153  12145.04   720.221  12141.62   1024.52  12148.38   1012.67  314.043 13.445  314.185 13.284  -0.1420288     18.90060 
1 1 1 -7  -18 30 o 266.229 5.8125  8622.44    375.477  8515.86    539.808  8722.35    522.619  264.182 8.4212  267.431 8.0540  -3.248901      11.65255 
1 1 1 -7  -18 31 o 21.448  5.6413  57.978     29.752   42.303     49.768   66.695     37.114   20.770  7.5858  23.073  6.4034  -2.303230      9.927143 
1 1 1 -7  -18 32 o 93.199  3.5313  1054.85    79.856   880.092    120.921  1190.02    106.345  84.849  5.9103  98.962  4.4288  -14.11282      7.385507 
1 1 1 -7  -18 33 o 339.223 6.9914  14015.53   575.459  14916.64   824.400  13159.23   803.642  349.319 9.7264  328.000 10.098  21.31854       14.02024 
1 1 1 -7  -18 34 o 153.573 4.1574  2865.34    154.917  2787.33    229.027  2931.14    210.336  151.334 6.2371  155.238 5.5841  -3.903778      8.371612 
1 1 1 -7  -18 35 o 141.655 4.0670  2437.81    139.788  2290.90    208.230  2558.33    188.605  137.190 6.2554  145.040 5.3592  -7.849640      8.237196 
1 1 1 -7  -18 36 o 113.169 5.2875  1557.56    145.192  1736.80    229.724  1438.34    187.358  119.053 7.9989  108.408 7.1631  10.64481       10.73744 
1 1 1 -7  -18 37 o 82.295  5.2706  827.083    104.691  905.028    170.793  780.170    132.503  85.703  8.3179  79.720  6.9187  5.982849       10.81926 
1 1 1 -7  -18 38 o 138.686 5.7182  2340.97    192.421  2400.70    299.693  2299.08    250.988  139.852 8.8777  137.068 7.5761  2.784943       11.67088 
1 1 1 -7  -18 39 o 188.672 4.6350  4328.71    212.187  4637.07    313.759  4068.82    288.043  195.041 6.6299  182.717 6.4970  12.32390       9.282611 
1 1 1 -7  -18 40 o 125.210 3.9084  1905.55    118.741  2094.14    181.296  1763.87    157.135  131.124 5.6983  120.366 5.3803  10.75771       7.836930 
1 1 1 -7  -18 41 o 223.156 5.2253  6064.82    282.936  6183.27    415.181  5962.11    386.609  224.844 7.6101  220.876 7.2137  3.967239       10.48579 
1 1 1 -7  -18 42 o 10.493  4.8977  -29.7230   30.719   -40.9182   59.552   -25.6639   35.858   15.459  7.0730  11.944  5.4734  3.515159       8.943436 
1 1 1 -7  -18 43 o 80.549  3.7797  789.343    73.873   631.236    118.352  890.257    94.553   71.477  6.9103  85.367  4.5815  -13.88995      8.291148 
1 1 1 -7  -18 44 o 123.522 4.4255  1859.30    132.638  1835.65    250.437  1868.52    156.371  121.721 8.5334  123.723 5.2089  -2.001495      9.997574 
1 1 1 -7  -18 45 o 146.260 4.2434  2607.53    150.593  2622.47    229.815  2596.29    199.357  146.223 6.4774  145.683 5.6397  0.5400085      8.588549 
1 1 1 -7  -18 46 o 103.511 3.8825  1305.71    97.512   1306.89    153.658  1304.93    126.174  103.028 6.1751  103.323 5.0328  -0.2949371     7.966220 
1 1 1 -7  -18 47 o 136.342 4.1620  2268.22    137.687  2353.65    212.650  2206.55    180.672  138.367 6.3339  134.178 5.5494  4.188934       8.421013 
1 1 1 -7  -18 48 o 36.163  7.3937  167.436    62.689   132.282    100.917  189.525    79.995   32.909  10.873  38.259  8.8004  -5.350185      13.98805 
1 1 1 -7  -18 49 f 65.524  5.8119  531.678    91.443   562.613    144.757  511.135    117.960  66.441  9.2284  63.723  7.7914  2.717842       12.07766 
1 1 1 -7  -18 50 o 40.560  6.9284  208.837    65.738   47.470     112.586  292.311    80.975   27.227  11.006  48.097  7.1565  -20.87051      13.12849 
1 1 1 -7  -18 51 o 48.395  4.8935  289.870    56.672   303.875    101.393  283.507    68.345   48.530  8.9400  47.607  6.0535  0.9235573      10.79665 
1 1 1 -7  -18 52 o 47.832  4.9847  283.628    57.003   326.650    106.589  266.395    67.460   50.266  9.0732  46.069  6.1916  4.196079       10.98446 
1 1 1 -7  -18 53 o 50.367  9.5639  330.903    112.607  330.903    112.607  0.0000     0.0000   50.367  9.5639  ?       ?       0.000000       9.563892 
1 1 1 -7  -18 54 o 66.198  12.424  590.290    192.229  590.290    192.229  0.0000     0.0000   66.198  12.424  ?       ?       0.000000       12.42402 
1 1 1 -7  -18 55 o 28.915  8.1625  108.432    59.773   -278.1700  142.368  191.164    65.859   18.417  9.0629  38.500  7.3175  -20.08301      11.64827 
1 1 1 -7  -18 56 o 43.395  5.5607  236.617    57.205   295.118    114.078  216.964    66.119   46.923  10.302  41.160  6.8620  5.762749       12.37806 
1 1 1 -7  -18 57 o 40.351  5.9903  206.580    56.869   270.382    112.438  184.648    65.922   44.671  10.543  37.674  7.4754  6.997101       12.92431 
1 1 1 -7  -18 58 o 48.234  5.4585  292.098    62.759   300.302    126.252  289.405    72.329   46.691  11.272  47.712  6.4099  -1.020977      12.96713 
1 1 1 -7  -18 59 o 65.597  4.8645  534.707    76.874   638.432    145.472  494.517    90.551   69.976  8.7597  62.672  6.0290  7.303699       10.63394 
1 1 1 -7  -18 60 o 101.826 5.7985  1296.32    142.673  1290.25    214.227  1301.16    191.260  99.583  8.9619  100.769 7.8851  -1.185715      11.93698 
1 1 1 -7  -18 61 o 25.360  8.7909  77.065     66.015   0.0000     0.0000   77.065     66.015   ?       ?       25.360  8.7909  0.000000       8.790860 
1 1 1 -7  -18 62 o 46.382  7.0484  276.795    76.828   -326.8233  199.638  381.732    83.239   22.363  10.949  54.870  6.3707  -32.50674      12.66741 
1 1 1 -7  -18 63 o 27.317  12.319  -42.0289   172.817  -42.0289   172.817  0.0000     0.0000   27.317  12.319  ?       ?       0.000000       12.31942 
1 1 1 -7  -18 64 o 33.224  8.5485  147.862    69.312   152.057    179.853  147.130    75.114   36.140  14.136  33.064  9.0835  3.076504       16.80310 
1 1 1 -7  -17 1  o 216.621 7.0991  5705.00    373.135  0.0000     0.0000   5705.00    373.135  ?       ?       216.621 7.0991  0.000000       7.099069 
1 1 1 -7  -17 2  o 494.776 13.928  29913.45   1672.05  0.0000     0.0000   29913.45   1672.05  ?       ?       494.776 13.928  0.000000       13.92761 
1 1 1 -7  -17 3  o 247.126 7.7152  7423.96    462.627  0.0000     0.0000   7423.96    462.627  ?       ?       247.126 7.7152  0.000000       7.715217 
1 1 1 -7  -17 4  o 378.187 11.009  17416.91   1010.26  18387.85   1420.85  16424.12   1436.74  387.950 15.094  366.463 16.158  21.48700       22.11128 
1 1 1 -7  -17 5  o 180.997 6.2837  3979.00    275.961  4538.50    384.049  3381.73    396.798  193.227 8.1914  166.431 9.8700  26.79578       12.82631 
1 1 1 -7  -17 6  o 136.041 5.3125  2247.05    175.362  2151.49    242.462  2351.88    253.934  132.850 7.5529  138.917 7.5620  -6.067413      10.68790 
1 1 1 -7  -17 7  o 92.220  4.6951  1035.05    104.711  1128.55    143.745  929.340    152.841  96.200  6.1911  87.157  7.2943  9.043221       9.567482 
1 1 1 -7  -17 8  o 286.107 8.6227  9949.98    598.599  10132.58   840.753  9762.27    852.461  288.460 12.012  283.105 12.410  5.355499       17.27114 
1 1 1 -7  -17 9  o 661.237 18.397  53498.88   2951.72  53918.94   4168.74  53076.54   4180.02  661.045 25.990  655.741 26.271  5.303833       36.95501 
1 1 1 -7  -17 10 o 132.754 5.2262  2139.56    168.343  1749.68    233.704  2560.03    242.697  119.722 8.0926  145.177 6.8897  -25.45572      10.62817 
1 1 1 -7  -17 11 f 468.605 9.3989  26698.93   1068.69  26265.36   1512.29  27131.42   1510.41  464.260 13.425  471.888 13.191  -7.628052      18.82127 
1 1 1 -7  -17 12 o 248.640 5.3799  7505.61    324.572  7605.92    459.888  7406.07    458.144  250.209 7.5750  246.896 7.6476  3.312317       10.76413 
1 1 1 -7  -17 13 o 463.957 9.3132  26170.83   1048.44  26002.35   1483.63  26338.89   1481.79  461.959 13.236  464.954 13.135  -2.995148      18.64696 
1 1 1 -7  -17 14 o 142.530 3.8262  2465.49    132.324  2555.29    187.902  2377.14    186.375  145.077 5.3379  139.926 5.4894  5.151657       7.656793 
1 1 1 -7  -17 15 o 653.415 12.826  52012.92   2033.54  52459.73   2876.70  51566.63   2875.01  654.873 18.104  649.232 18.251  5.641663       25.70671 
1 1 1 -7  -17 16 o 289.022 6.0950  10144.09   427.436  9973.49    609.297  10309.41   599.787  286.435 8.7667  291.237 8.4876  -4.801758      12.20228 
1 1 1 -7  -17 17 o 97.966  3.7888  1164.79    90.061   983.424    162.187  1245.65    108.291  89.651  7.5255  101.302 4.4056  -11.65093      8.720215 
1 1 1 -7  -17 18 o 142.406 3.8147  2461.31    131.812  2332.67    191.216  2577.79    181.951  138.601 5.6858  145.713 5.1463  -7.111969      7.668945 
1 1 1 -7  -17 19 f 182.669 4.4330  4050.54    196.485  3494.37    282.959  4568.44    273.051  169.598 6.8761  193.957 5.8019  -24.35924      8.996815 
1 1 1 -7  -17 20 o 377.659 7.6602  17334.92   701.947  17433.61   998.432  17238.47   987.070  378.385 10.875  376.270 10.811  2.115784       15.33456 
1 1 1 -7  -17 21 o 271.277 5.8064  8938.24    382.197  8976.43    546.452  8901.67    534.755  271.697 8.2890  270.574 8.1453  1.123047       11.62122 
1 1 1 -7  -17 22 o 505.214 9.9794  31080.75   1223.33  31990.80   1736.48  30184.06   1723.70  511.646 13.987  496.908 14.296  14.73828       20.00072 
1 1 1 -7  -17 23 o 220.915 5.0279  5927.17    269.510  5690.00    387.316  6149.80    375.258  216.317 7.3792  224.921 6.8760  -8.604233      10.08624 
1 1 1 -7  -17 24 o 159.148 4.0831  3075.25    157.673  3145.56    229.190  3012.07    217.256  160.889 5.8709  157.446 5.6869  3.443069       8.173655 
1 1 1 -7  -17 25 o 204.864 4.7751  5098.06    237.364  4968.78    342.461  5217.59    329.294  202.107 6.9834  207.138 6.5518  -5.031265      9.575677 
1 1 1 -7  -17 26 f 204.595 4.7692  5085.52    236.760  5046.13    342.062  5121.74    328.036  203.643 6.9226  205.191 6.5887  -1.548615      9.556860 
1 1 1 -7  -17 27 o 28.920  7.2977  105.805    51.210   183.686    76.197   41.649     69.158   38.076  8.4666  22.887  8.8173  15.18872       12.22408 
1 1 1 -7  -17 28 o 155.895 5.8175  2956.00    220.053  2980.52    315.925  2932.88    306.685  156.107 8.3711  154.877 8.1901  1.229538       11.71127 
1 1 1 -7  -17 29 o 102.965 5.0867  1288.85    127.083  1397.02    185.457  1193.09    174.488  106.850 7.1952  98.688  7.3393  8.162453       10.27795 
1 1 1 -7  -17 30 o 156.545 4.1029  2977.12    155.846  3147.55    228.822  2829.67    212.843  160.851 5.8629  152.520 5.7513  8.330597       8.212852 
1 1 1 -7  -17 31 o 286.790 6.1270  10007.86   426.357  10305.79   612.390  9727.61    593.953  290.596 8.6851  282.329 8.6703  8.266357       12.27209 
1 1 1 -7  -17 32 o 167.743 4.3438  3418.74    176.797  3113.56    259.432  3683.37    241.579  159.920 6.6858  174.020 5.7213  -14.10027      8.799656 
1 1 1 -7  -17 33 o 258.025 5.7006  8097.75    356.897  8205.89    515.188  7997.98    494.880  259.391 8.1855  256.120 7.9633  3.271179       11.42002 
1 1 1 -7  -17 34 o 275.076 6.0354  9206.62    402.832  9005.25    580.761  9393.33    559.230  271.605 8.8124  277.492 8.3057  -5.886261      12.10963 
1 1 1 -7  -17 35 o 154.369 4.2317  2895.29    158.505  2713.41    234.965  3047.17    214.720  149.294 6.4863  158.280 5.5909  -8.985596      8.563300 
1 1 1 -7  -17 36 o 113.562 5.4324  1568.52    149.689  1342.06    236.343  1720.22    193.433  104.366 9.4350  118.657 6.7464  -14.29105      11.59878 
1 1 1 -7  -17 37 o 95.538  5.3464  1113.64    123.441  891.156    199.706  1251.20    157.032  84.775  9.8948  101.165 6.4307  -16.38921      11.80086 
1 1 1 -7  -17 38 o 184.477 6.6928  4146.48    299.578  3748.92    452.226  4457.38    399.915  174.506 10.732  190.997 8.6293  -16.49069      13.77123 
1 1 1 -7  -17 39 o 125.943 3.9225  1927.47    119.868  2116.07    183.146  1786.14    158.541  131.841 5.7251  121.151 5.3933  10.69003       7.865369 
1 1 1 -7  -17 40 o 49.165  4.2380  296.049    50.063   265.780    83.167   313.250    62.694   46.032  7.7195  50.469  5.1938  -4.437035      9.304076 
1 1 1 -7  -17 41 o 197.378 4.8402  4741.59    231.804  4788.97    342.582  4701.58    314.817  197.990 7.1311  196.271 6.6106  1.719009       9.723795 
1 1 1 -7  -17 42 o 135.935 4.0810  2247.86    134.605  2289.14    204.956  2216.56    178.497  136.941 6.1683  134.843 5.4556  2.098434       8.234715 
1 1 1 -7  -17 43 o 79.024  3.7456  759.645    71.820   797.027    115.331  735.966    91.790   80.567  5.9416  77.556  4.9030  3.011208       7.703351 
1 1 1 -7  -17 44 f 40.073  4.7759  198.548    45.523   190.316    78.853   202.663    55.752   38.547  8.6440  40.304  5.8736  -1.757431      10.45076 
1 1 1 -7  -17 45 o 42.892  4.5889  226.927    47.017   198.492    79.595   242.167    58.270   39.341  8.5800  44.162  5.5612  -4.821186      10.22470 
1 1 1 -7  -17 46 o 53.762  4.1780  354.551    54.074   354.049    93.895   354.799    66.144   53.089  7.4978  53.630  5.1462  -0.5412254     9.093997 
1 1 1 -7  -17 47 o 80.636  3.8671  792.711    75.662   815.447    124.108  779.262    95.452   81.212  6.3487  79.674  4.9621  1.538597       8.057795 
1 1 1 -7  -17 48 o 54.361  5.9836  367.308    77.618   474.444    124.325  298.877    99.361   61.178  8.6137  48.272  8.8076  12.90582       12.31948 
1 1 1 -7  -17 49 o 47.069  6.5615  278.183    72.900   182.809    115.954  340.522    93.745   37.704  11.569  51.876  7.6795  -14.17221      13.88602 
1 1 1 -7  -17 50 f 104.225 5.6907  1338.75    143.369  1387.64    218.813  1301.97    189.781  105.060 8.6609  102.115 7.7164  2.944298       11.59976 
1 1 1 -7  -17 51 o 18.200  6.8343  30.770     40.896   -11.1636   88.922   42.018     46.055   21.187  9.2276  20.146  7.3066  1.040186       11.77011 
1 1 1 -7  -17 52 o 109.418 4.2245  1464.13    112.158  1480.28    184.686  1454.69    141.172  109.049 7.0171  108.804 5.3474  0.2450409      8.822391 
1 1 1 -7  -17 53 o 114.443 7.1821  1634.81    198.426  1634.81    198.426  0.0000     0.0000   114.443 7.1821  ?       ?       0.000000       7.182128 
1 1 1 -7  -17 54 o 89.922  10.967  1056.46    234.334  1056.46    234.334  0.0000     0.0000   89.922  10.967  ?       ?       0.000000       10.96718 
1 1 1 -7  -17 55 o 55.103  7.6826  387.695    99.925   0.0000     0.0000   387.695    99.925   ?       ?       55.103  7.6826  0.000000       7.682633 
1 1 1 -7  -17 56 o 38.899  6.2681  192.605    57.151   -37.7509   111.768  274.157    66.502   22.234  9.9774  46.636  6.0174  -24.40199      11.65146 
1 1 1 -7  -17 57 o 60.380  4.8160  452.241    69.971   616.723    130.381  385.706    82.924   69.409  7.8815  55.292  6.2931  14.11672       10.08565 
1 1 1 -7  -17 58 o 70.489  5.1316  617.893    87.165   780.781    214.285  585.598    95.416   75.497  12.107  68.379  5.8058  7.117691       13.42694 
1 1 1 -7  -17 59 o 17.191  7.1377  11.668     48.973   -97.5483   107.548  40.237     55.006   19.227  9.0350  20.685  7.8892  -1.457571      11.99458 
1 1 1 -7  -17 60 o 19.626  8.5704  -7.6359    77.165   0.0000     0.0000   -7.6359    77.165   ?       ?       19.626  8.5704  0.000000       8.570447 
1 1 1 -7  -17 61 o 39.836  8.7473  211.193    82.236   0.0000     0.0000   211.193    82.236   ?       ?       39.836  8.7473  0.000000       8.747330 
1 1 1 -7  -17 62 o 26.880  9.6331  84.049     79.764   215.192    130.082  5.0317     100.974  39.474  12.277  23.057  9.9372  16.41765       15.79497 
1 1 1 -7  -17 63 o 17.866  8.2054  -50.1265   81.199   -97.5575   160.147  -33.7136   94.206   24.431  11.328  20.267  9.1220  4.163757       14.54427 
1 1 1 -7  -17 64 o 46.051  6.7834  272.804    73.527   292.209    152.528  266.930    83.921   44.955  13.149  45.083  7.9630  -0.1274986     15.37257 
1 1 1 -7  -16 1  o 513.928 14.381  32261.82   1793.25  0.0000     0.0000   32261.82   1793.25  ?       ?       513.928 14.381  0.000000       14.38051 
1 1 1 -7  -16 2  o 207.758 6.8323  5243.93    344.422  0.0000     0.0000   5243.93    344.422  ?       ?       207.758 6.8323  0.000000       6.832345 
1 1 1 -7  -16 3  o 164.674 4.2199  3291.53    168.612  3477.84    240.026  3110.04    236.911  169.231 5.8454  160.026 6.1014  9.205414       8.449605 
1 1 1 -7  -16 4  o 323.394 6.7731  12703.45   531.475  12524.00   752.859  12881.71   750.385  320.901 9.6689  325.465 9.5020  -4.564087      13.55643 
1 1 1 -7  -16 5  o 187.251 4.5486  4256.05    206.663  4202.25    293.144  4309.21    291.395  186.013 6.4949  188.369 6.3754  -2.356216      9.101079 
1 1 1 -7  -16 6  o 436.059 8.7076  23111.21   921.310  23252.31   1304.05  22970.60   1301.81  436.989 12.299  434.327 12.353  2.662231       17.43134 
1 1 1 -7  -16 7  o 73.940  4.4751  666.025    79.910   657.350    109.394  675.950    117.010  73.314  6.2078  74.317  6.5561  -1.003304      9.028811 
1 1 1 -7  -16 8  o 162.281 5.7804  3197.47    227.609  2963.86    317.255  3445.24    326.729  155.947 8.4155  168.392 7.9966  -12.44505      11.60886 
1 1 1 -7  -16 9  o 473.827 13.360  27349.14   1536.03  26927.40   2167.46  27774.65   2177.13  469.178 19.039  476.545 18.829  -7.367035      26.77697 
1 1 1 -7  -16 10 o 265.564 8.0931  8568.77    521.494  8233.24    733.758  8911.24    741.307  260.108 11.626  270.630 11.289  -10.52158      16.20525 
1 1 1 -7  -16 11 o 462.189 13.074  26016.24   1466.24  26009.38   2070.16  26023.14   2077.01  461.241 18.497  461.352 18.554  -0.1112061     26.19951 
1 1 1 -7  -16 12 o 449.840 9.0282  24595.06   985.420  24991.08   1394.51  24200.09   1392.68  453.042 12.686  445.790 12.875  7.251465       18.07493 
1 1 1 -7  -16 13 o 259.956 5.6319  8204.40    355.240  8499.41    503.241  7911.39    501.532  264.500 7.8413  255.174 8.1002  9.325485       11.27385 
1 1 1 -7  -16 14 o 442.910 8.7922  23841.37   944.880  24837.69   1340.90  22858.71   1331.68  451.697 12.234  433.275 12.667  18.42151       17.61057 
1 1 1 -7  -16 15 o 145.472 3.7728  2568.26    133.171  2936.00    192.426  2230.23    184.488  155.518 5.0994  135.534 5.6099  19.98352       7.581210 
1 1 1 -7  -16 16 o 72.625  3.1109  640.039    54.820   635.227    81.085   644.090    74.400   72.191  4.6538  72.724  4.2346  -0.5325623     6.292061 
1 1 1 -7  -16 17 o 448.356 8.8805  24434.88   966.111  25322.60   1371.59  23560.75   1361.05  456.016 12.396  439.818 12.754  16.19763       17.78529 
1 1 1 -7  -16 18 o 193.914 4.5817  4564.36    215.576  4156.22    309.662  4948.18    300.296  184.979 6.8992  201.860 6.1310  -16.88098      9.229787 
1 1 1 -7  -16 19 o 336.564 6.9421  13760.00   566.919  13650.32   807.312  13866.70   796.291  334.998 9.9320  337.661 9.7191  -2.663116      13.89623 
1 1 1 -7  -16 20 o 169.894 4.2292  3503.54    174.342  3330.02    251.990  3662.87    241.460  165.584 6.2719  173.678 5.7297  -8.094208      8.495116 
1 1 1 -7  -16 21 o 217.951 4.9426  5767.27    261.385  5785.86    375.294  5749.76    364.263  218.217 7.0879  217.544 6.9009  0.6733856      9.892437 
1 1 1 -7  -16 22 f 519.652 10.152  32872.75   1280.06  35366.11   1816.70  30414.39   1803.91  538.198 13.912  498.867 14.903  39.33136       20.38691 
1 1 1 -7  -16 23 o 398.548 8.1163  19318.00   784.879  18831.93   1116.69  19792.57   1103.40  392.981 11.711  402.953 11.285  -9.971893      16.26373 
1 1 1 -7  -16 24 f 144.264 3.8264  2526.52    133.941  3083.11    195.833  2037.28    183.602  159.327 5.0656  129.491 5.8435  29.83540       7.733494 
1 1 1 -7  -16 25 o 229.554 5.0975  6401.21    283.928  6914.56    408.776  5922.70    394.664  238.441 7.0655  220.653 7.3715  17.78741       10.21074 
1 1 1 -7  -16 26 o 453.723 9.1358  25094.45   1005.78  24678.08   1430.10  25501.94   1414.78  448.812 13.132  456.361 12.777  -7.548859      18.32211 
1 1 1 -7  -16 27 o 180.380 6.2682  3957.45    274.345  4260.04    392.412  3668.15    383.698  186.934 8.6515  173.173 9.1642  13.76089       12.60276 
1 1 1 -7  -16 28 o 274.652 8.4055  9198.18    560.157  9419.52    797.315  8982.45    787.147  277.245 11.852  270.706 11.984  6.538696       16.85490 
1 1 1 -7  -16 29 f 113.457 5.2336  1565.00    144.076  1542.00    209.112  1585.78    198.790  112.219 7.7269  113.872 7.2322  -1.653267      10.58342 
1 1 1 -7  -16 30 o 177.745 6.3030  3844.88    271.837  3694.62    389.389  3987.74    379.668  173.680 9.2735  180.768 8.6560  -7.087631      12.68561 
1 1 1 -7  -16 31 o 128.982 3.8502  2020.64    120.498  1889.25    179.180  2129.13    162.812  124.620 5.9257  132.344 5.0701  -7.723297      7.798713 
1 1 1 -7  -16 32 o 61.803  3.5805  465.405    53.463   293.977    83.427   584.860    69.642   48.593  7.3014  69.261  4.1633  -20.66798      8.404993 
1 1 1 -7  -16 33 o 236.057 5.3632  6775.29    307.189  6731.16    444.886  6815.51    424.680  234.997 7.8023  236.520 7.4000  -1.523270      10.75338 
1 1 1 -7  -16 34 o 359.328 7.4427  15732.27   648.908  15891.83   929.263  15580.42   906.549  360.340 10.628  356.838 10.470  3.501953       14.91929 
1 1 1 -7  -16 35 o 117.141 3.8034  1666.70    108.106  1814.71    163.483  1551.68    144.112  122.154 5.5157  112.968 5.2575  9.186554       7.620000 
1 1 1 -7  -16 36 o 198.587 6.8994  4803.41    332.450  4556.09    496.926  5003.79    447.293  192.592 10.676  202.391 9.1083  -9.799240      14.03313 
1 1 1 -7  -16 37 o 71.900  5.3610  632.226    92.855   629.720    155.867  633.605    115.608  71.198  9.2403  71.816  6.7122  -0.6181259     11.42092 
1 1 1 -7  -16 38 o 216.209 7.2288  5699.08    379.230  5777.09    565.247  5635.23    511.410  217.046 10.733  214.551 9.8237  2.495300       14.55000 
1 1 1 -7  -16 39 o 123.157 3.7058  1842.74    110.739  1773.23    159.321  1907.71    154.030  120.713 5.4394  125.232 5.0691  -4.518867      7.435232 
1 1 1 -7  -16 40 o 205.044 4.7207  5113.88    234.865  4830.51    336.755  5382.27    327.728  198.979 6.9750  210.124 6.4280  -11.14569      9.485209 
1 1 1 -7  -16 41 o 142.404 3.9835  2465.52    137.641  2382.23    197.666  2543.92    191.774  139.808 5.8269  144.514 5.4691  -4.706024      7.991486 
1 1 1 -7  -16 42 o 65.974  3.5476  530.644    56.581   510.832    80.488   550.001    79.555   64.545  5.1830  67.022  4.9266  -2.476875      7.150836 
1 1 1 -7  -16 43 o 63.864  3.2361  497.071    49.983   458.083    66.433   547.936    75.880   61.166  4.5080  66.901  4.7044  -5.735535      6.515574 
1 1 1 -7  -16 44 o 70.526  3.9039  607.314    66.545   526.975    107.047  657.914    84.955   65.218  6.8679  73.299  4.8032  -8.081314      8.380871 
1 1 1 -7  -16 45 o 86.609  3.8174  913.428    80.221   1021.62    128.512  844.350    102.685  91.187  5.8390  82.991  5.1244  8.195450       7.768710 
1 1 1 -7  -16 46 o 114.658 3.9633  1602.20    110.262  1711.02    172.721  1527.35    143.249  117.980 6.0539  111.750 5.2830  6.230133       8.034922 
1 1 1 -7  -16 47 o 113.097 3.9593  1559.71    108.651  1693.56    170.777  1468.69    140.829  117.313 6.0198  109.529 5.2991  7.784508       8.019876 
1 1 1 -7  -16 48 f 32.200  7.8531  133.540    60.807   204.058    105.140  98.099     74.537   39.545  10.698  28.484  9.3410  11.06104       14.20249 
1 1 1 -7  -16 49 o 23.859  7.9712  67.094     54.192   36.032     97.398   81.022     65.219   25.104  10.205  26.144  8.7446  -1.039722      13.43946 
1 1 1 -7  -16 50 o 117.312 5.8377  1692.08    166.169  1727.97    250.523  1663.89    222.042  117.234 8.8728  115.416 7.9777  1.817932       11.93193 
1 1 1 -7  -16 51 o 74.804  4.3023  686.298    77.760   603.549    133.520  728.769    95.656   69.159  8.1107  76.913  5.1554  -7.753799      9.610512 
1 1 1 -7  -16 52 o 63.533  8.2543  512.149    124.240  512.149    124.240  0.0000     0.0000   63.533  8.2543  ?       ?       0.000000       8.254331 
1 1 1 -7  -16 53 f 93.143  7.3464  1086.24    164.682  1086.24    164.682  0.0000     0.0000   93.143  7.3464  ?       ?       0.000000       7.346354 
1 1 1 -7  -16 54 o 70.494  6.1224  619.335    103.682  567.833    199.390  638.422    121.384  64.538  13.178  71.255  7.1158  -6.717140      14.97687 
1 1 1 -7  -16 55 o 81.839  6.0122  834.046    118.550  691.955    225.654  888.214    139.326  70.868  13.618  84.137  6.8850  -13.26895      15.25919 
1 1 1 -7  -16 56 o 61.728  4.8773  472.150    72.455   337.578    133.338  528.536    86.310   49.877  11.282  65.149  5.5117  -15.27195      12.55615 
1 1 1 -7  -16 57 o 34.920  6.7930  157.511    55.485   -71.3947   113.087  230.088    63.677   20.908  9.6324  42.520  6.3680  -21.61176      11.54704 
1 1 1 -7  -16 58 o 111.105 4.4942  1520.41    121.158  1588.48    205.909  1484.36    149.843  111.769 7.6384  109.158 5.6770  2.611092       9.516981 
1 1 1 -7  -16 59 o 48.146  5.8119  292.453    66.522   390.475    138.542  263.083    75.836   53.455  11.047  45.186  7.1552  8.269314       13.16152 
1 1 1 -7  -16 60 o 31.334  9.3904  129.756    77.027   0.0000     0.0000   129.756    77.027   ?       ?       31.334  9.3904  0.000000       9.390409 
1 1 1 -7  -16 61 o 13.512  6.4098  -65.2721   56.552   -75.8802   114.063  -61.8146   65.119   20.769  9.6053  15.049  7.0583  5.719881       11.91979 
1 1 1 -7  -16 62 o 27.871  10.210  87.999     90.245   165.858    163.061  53.621     108.351  36.703  13.673  26.654  10.790  10.04845       17.41757 
1 1 1 -7  -16 63 o 54.652  8.7787  393.045    112.472  212.400    200.145  476.419    135.972  40.305  15.122  59.795  9.7044  -19.48991      17.96816 
1 1 1 -7  -16 64 o 13.192  6.2846  -67.6599   55.503   17.230     126.476  -87.9072   61.768   25.914  11.145  13.381  6.4413  12.53319       12.87264 
1 1 1 -7  -15 1  o 337.774 9.8872  13878.86   810.335  0.0000     0.0000   13878.86   810.335  ?       ?       337.774 9.8872  0.000000       9.887216 
1 1 1 -7  -15 2  o 626.905 12.275  47864.77   1867.25  49518.79   2641.93  46213.86   2639.45  636.489 17.107  614.722 17.696  21.76740       24.61266 
1 1 1 -7  -15 3  o 527.322 10.495  33825.82   1342.79  33451.72   1900.27  34198.91   1897.72  523.677 14.955  529.529 14.770  -5.851501      21.01909 
1 1 1 -7  -15 4  o 218.953 5.7365  5820.62    304.765  5876.81    375.108  5711.48    522.753  219.965 7.0281  216.724 9.9409  3.241104       12.17440 
1 1 1 -7  -15 5  o 210.270 4.8238  5366.82    246.110  5697.04    349.051  5040.36    347.062  216.591 6.6418  203.714 7.0214  12.87689       9.665028 
1 1 1 -7  -15 6  o 424.194 8.5730  21865.89   882.386  21743.54   1248.94  21987.83   1246.82  422.657 12.178  425.035 12.090  -2.377716      17.16029 
1 1 1 -7  -15 7  o 366.794 7.5106  16342.15   668.441  16252.60   946.213  16431.37   944.425  365.560 10.668  367.572 10.589  -2.011597      15.03088 
1 1 1 -7  -15 8  o 327.860 9.6438  13067.00   767.183  13435.95   1080.63  12692.08   1089.34  332.149 13.409  322.776 13.909  9.372528       19.31972 
1 1 1 -7  -15 9  o 377.432 10.855  17325.99   994.146  16650.79   1402.38  18008.09   1409.52  369.509 15.641  384.340 15.114  -14.83124      21.75085 
1 1 1 -7  -15 10 o 261.271 8.0111  8292.86    507.863  8404.00    715.281  8179.88    721.208  262.845 11.215  259.301 11.463  3.543823       16.03687 
1 1 1 -7  -15 11 o 20.849  6.1142  53.624     32.939   59.204     43.494   46.119     50.441   22.335  7.1200  21.312  7.6580  1.023153       10.45659 
1 1 1 -7  -15 12 o 260.724 8.0019  8258.15    506.218  7755.44    713.373  8768.04    718.453  252.473 11.645  268.489 11.028  -16.01628      16.03832 
1 1 1 -7  -15 13 o 386.707 7.8750  18166.44   738.919  17333.35   1049.44  18985.56   1040.60  377.459 11.458  395.096 10.855  -17.63651      15.78347 
1 1 1 -7  -15 14 o 326.884 6.7635  12976.13   536.453  12756.73   763.282  13190.29   754.120  323.940 9.7108  329.418 9.4347  -5.477356      13.53936 
1 1 1 -7  -15 15 o 363.045 7.4634  16009.55   657.444  14919.67   934.607  17077.14   925.000  350.223 10.998  374.761 10.172  -24.53821      14.98123 
1 1 1 -7  -15 16 o 428.550 8.6065  22317.52   894.938  21836.14   1270.64  22791.39   1260.69  423.536 12.364  432.742 12.006  -9.206390      17.23454 
1 1 1 -7  -15 17 o 201.843 4.6156  4945.03    226.051  5379.32    324.580  4535.98    315.003  210.474 6.3556  193.262 6.7174  17.21176       9.247598 
1 1 1 -7  -15 18 o 218.169 4.9220  5777.81    260.556  5795.49    373.568  5761.07    363.596  218.437 7.0482  217.794 6.8804  0.6437378      9.849704 
1 1 1 -7  -15 19 f 552.622 10.892  37157.02   1460.49  37212.38   2071.05  37102.25   2059.90  552.229 15.456  551.424 15.396  0.8052368      21.81566 
1 1 1 -7  -15 20 o 631.909 12.381  48634.96   1898.37  48881.27   2690.61  48390.80   2678.83  632.262 17.538  629.078 17.550  3.183228       24.81124 
1 1 1 -7  -15 21 o 341.199 6.9911  14142.75   578.789  14763.35   824.638  13540.20   812.557  348.384 9.7553  333.614 10.038  14.76953       13.99739 
1 1 1 -7  -15 22 o 535.945 10.551  34964.23   1372.05  35753.39   1946.95  34185.66   1933.85  541.080 14.830  529.028 15.065  12.05133       21.13959 
1 1 1 -7  -15 23 o 362.681 7.5199  15988.64   661.759  15077.10   942.651  16874.41   929.231  351.804 11.043  372.283 10.287  -20.47949      15.09201 
1 1 1 -7  -15 24 o 136.163 3.7722  2250.58    124.630  2683.17    183.033  1876.64    170.174  148.641 5.0749  124.295 5.6426  24.34610       7.589004 
1 1 1 -7  -15 25 o 355.897 7.3754  15404.62   636.906  15053.10   908.207  15744.78   893.417  351.344 10.653  359.395 10.245  -8.050476      14.78033 
1 1 1 -7  -15 26 o 99.723  3.5557  1207.31    86.036   874.489    127.846  1482.81    116.317  84.581  6.2742  110.499 4.3383  -25.91814      7.627984 
1 1 1 -7  -15 27 o 122.944 5.3058  1836.94    158.280  1708.28    228.392  1955.83    219.554  118.162 8.0133  126.569 7.1786  -8.406784      10.75853 
1 1 1 -7  -15 28 o 280.190 8.5369  9572.03    580.385  10118.18   825.648  9038.56    816.014  287.414 11.839  271.526 12.386  15.88821       17.13401 
1 1 1 -7  -15 29 o 189.542 6.5087  4372.36    299.341  4695.58    428.796  4065.11    418.073  196.141 9.0099  182.196 9.4897  13.94421       13.08558 
1 1 1 -7  -15 30 o 182.380 6.1993  4047.40    274.335  4257.73    379.280  3816.63    397.282  186.832 8.3665  176.537 9.3076  10.29539       12.51517 
1 1 1 -7  -15 31 o 36.169  4.0277  160.870    34.747   168.260    49.860   153.892    48.449   36.753  5.7821  35.095  5.8988  1.657963       8.260066 
1 1 1 -7  -15 32 o 320.743 6.7477  12523.87   525.141  12521.86   746.655  12525.84   738.731  320.155 9.6116  320.229 9.5074  -0.7479858E-01 13.51938 
1 1 1 -7  -15 33 o 120.114 3.6202  1752.07    105.508  1702.02    151.664  1799.01    146.873  118.320 5.2827  121.659 4.9755  -3.338951      7.256907 
1 1 1 -7  -15 34 o 96.532  3.4238  1131.54    80.194   1053.45    115.130  1205.12    111.767  92.950  5.1246  99.585  4.6255  -6.635124      6.903358 
1 1 1 -7  -15 35 o 26.654  5.4974  89.581     34.374   72.333     48.569   106.890    48.655   24.378  7.4888  29.049  6.9880  -4.671024      10.24278 
1 1 1 -7  -15 36 o 79.450  5.2412  770.839    100.470  928.507    166.432  680.439    126.023  86.897  7.9827  74.409  7.0649  12.48888       10.66002 
1 1 1 -7  -15 37 o 100.297 5.3565  1226.90    129.885  1192.52    209.451  1248.38    165.563  98.422  8.8657  101.014 6.7944  -2.592232      11.16984 
1 1 1 -7  -15 38 o 148.795 5.8550  2694.53    211.387  2928.26    325.489  2524.03    277.991  154.579 8.7136  143.594 8.0106  10.98441       11.83623 
1 1 1 -7  -15 39 o 314.617 6.5598  12061.17   500.768  12202.45   713.502  11924.02   703.001  315.758 9.3127  312.144 9.2819  3.614258       13.14841 
1 1 1 -7  -15 40 o 279.164 6.0815  9494.89    411.941  9509.27    587.828  9481.01    577.456  278.762 8.6906  278.386 8.5488  0.3758545      12.19057 
1 1 1 -7  -15 41 o 163.936 4.2992  3268.55    171.013  3247.71    245.702  3288.14    238.171  163.194 6.2050  164.237 5.9766  -1.043121      8.615188 
1 1 1 -7  -15 42 o 192.724 4.6746  4521.81    218.598  4431.48    313.701  4607.07    304.782  190.423 6.7894  194.225 6.4672  -3.801682      9.376637 
1 1 1 -7  -15 43 o 181.280 4.5055  4002.10    198.177  3972.46    284.652  4029.98    276.074  180.235 6.5090  181.588 6.2658  -1.352783      9.034739 
1 1 1 -7  -15 44 o 144.639 3.9873  2546.98    139.934  2615.48    201.817  2483.56    194.197  146.307 5.6849  142.583 5.6132  3.724747       7.989180 
1 1 1 -7  -15 45 o 67.227  3.5611  551.611    57.882   521.984    83.647   578.833    80.179   65.144  5.3388  68.701  4.8409  -3.557114      7.206766 
1 1 1 -7  -15 46 o 54.702  3.7136  366.145    48.999   383.754    69.669   348.909    68.927   55.786  5.2072  53.133  5.4224  2.653290       7.517804 
1 1 1 -7  -15 47 o 78.553  3.5416  751.654    67.504   692.779    96.885   807.197    94.105   75.034  5.3567  81.128  4.8019  -6.093803      7.193926 
1 1 1 -7  -15 48 o 81.386  4.6335  812.223    91.122   737.846    118.002  922.084    143.415  77.189  6.3570  86.195  6.9154  -9.006340      9.393318 
1 1 1 -7  -15 49 o 44.437  4.9371  244.635    52.333   230.164    64.983   271.342    88.279   42.767  6.4638  46.077  8.1964  -3.309669      10.43852 
1 1 1 -7  -15 50 o 84.366  4.7237  873.689    96.308   842.811    123.961  920.708    152.967  82.499  6.2387  85.900  7.4116  -3.401016      9.687786 
1 1 1 -7  -15 51 o 35.504  6.1975  159.662    51.448   159.662    51.448   0.0000     0.0000   35.504  6.1975  ?       ?       0.000000       6.197516 
1 1 1 -7  -15 52 o 116.652 7.1372  1694.13    201.044  1694.13    201.044  0.0000     0.0000   116.652 7.1372  ?       ?       0.000000       7.137179 
1 1 1 -7  -15 53 o 72.763  4.4713  650.942    78.560   739.912    139.230  609.385    95.154   76.689  7.5816  70.117  5.6407  6.572586       9.449757 
1 1 1 -7  -15 54 o 79.930  5.8972  793.604    113.564  1006.73    217.820  714.044    133.083  88.075  10.393  75.296  7.3791  12.77875       12.74600 
1 1 1 -7  -15 55 o 50.177  6.9950  319.741    82.849   393.528    173.426  297.922    94.306   53.210  13.431  47.942  8.4139  5.267353       15.84903 
1 1 1 -7  -15 56 o 51.775  5.2630  334.249    65.198   333.453    125.297  334.545    76.349   49.803  10.688  51.523  6.2339  -1.719860      12.37353 
1 1 1 -7  -15 57 o 47.070  5.7371  278.751    64.167   195.257    124.404  309.017    74.900   38.077  12.031  49.388  6.4007  -11.31179      13.62807 
1 1 1 -7  -15 58 o 100.598 5.0009  1250.74    122.067  1387.94    299.796  1223.48    133.647  100.699 12.542  99.128  5.5792  1.571106       13.72651 
1 1 1 -7  -15 59 o 52.720  6.3991  352.383    80.180   0.0000     0.0000   352.383    80.180   ?       ?       52.720  6.3991  0.000000       6.399144 
1 1 1 -7  -15 60 o 32.151  9.1690  137.332    75.027   0.0000     0.0000   137.332    75.027   ?       ?       32.151  9.1690  0.000000       9.169026 
1 1 1 -7  -15 61 o 46.036  6.8226  271.310    73.903   189.512    139.197  303.418    87.210   37.693  12.774  48.419  7.6794  -10.72549      14.90499 
1 1 1 -7  -15 62 o 62.599  8.0799  506.396    119.862  573.122    205.925  472.205    147.406  63.293  13.798  59.133  10.666  4.160324       17.43988 
1 1 1 -7  -15 63 o 30.681  10.496  119.174    93.972   89.183     169.827  132.409    112.817  32.658  13.399  32.481  11.476  0.1766472      17.64142 
1 1 1 -7  -15 64 o 22.946  8.4737  56.761     62.356   244.913    127.458  -2.4418    71.496   41.614  11.977  19.159  8.3094  22.45436       14.57716 
1 1 1 -7  -14 1  o 441.725 8.7798  23716.01   941.023  25051.18   1332.15  22386.19   1329.47  453.612 12.103  428.719 12.780  24.89273       17.60191 
1 1 1 -7  -14 2  o 223.970 5.0440  6089.27    274.114  6005.39    388.726  6172.23    386.595  222.354 7.2050  225.427 7.0678  -3.072647      10.09287 
1 1 1 -7  -14 3  o 90.490  3.2961  993.659    72.371   936.491    102.973  1049.46    101.733  87.701  4.8579  92.986  4.5090  -5.284752      6.628018 
1 1 1 -7  -14 4  o 242.676 5.3202  7149.05    313.272  7608.56    444.087  6693.88    441.988  250.286 7.3125  234.743 7.7599  15.54279       10.66249 
1 1 1 -7  -14 5  o 525.337 10.367  33557.30   1321.50  33125.23   1870.01  33988.32   1867.75  521.340 14.783  528.122 14.575  -6.781799      20.75996 
1 1 1 -7  -14 6  o 260.457 5.6753  8235.61    358.666  8294.75    508.115  8176.88    506.349  261.305 8.0140  259.440 8.0436  1.864594       11.35445 
1 1 1 -7  -14 7  o 474.862 9.4579  27406.93   1089.75  27551.28   1542.02  27262.92   1540.25  475.680 13.360  473.177 13.415  2.502930       18.93322 
1 1 1 -7  -14 8  o 1034.71 20.076  130949.00  5040.43  129368.50  7129.33  132528.59  7127.16  1024.14 28.690  1036.78 28.331  -12.64392      40.32063 
1 1 1 -7  -14 9  o 600.562 16.684  44002.69   2431.25  41844.49   3435.35  46168.33   3441.27  583.840 24.250  613.592 23.114  -29.75195      33.50108 
1 1 1 -7  -14 10 o 456.332 12.905  25348.19   1428.85  24503.45   2018.17  26197.18   2023.26  447.864 18.572  463.180 18.003  -15.31628      25.86498 
1 1 1 -7  -14 11 o 456.112 12.897  25323.64   1427.30  24732.19   2025.99  25906.43   2011.11  449.952 18.557  460.604 17.995  -10.65207      25.84896 
1 1 1 -7  -14 12 o 592.062 16.456  42759.36   2364.11  42797.82   3351.66  42721.28   3335.10  590.698 23.385  590.196 23.289  0.5021362      33.00323 
1 1 1 -7  -14 13 o 1021.40 28.223  128606.30  6994.54  128906.40  9901.16  128307.30  9882.41  1014.33 40.229  1011.95 40.248  2.374207       56.90584 
1 1 1 -7  -14 14 o 450.160 8.9869  24625.27   981.611  24228.26   1392.96  25016.91   1383.51  446.132 12.868  453.369 12.577  -7.236969      17.99326 
1 1 1 -7  -14 15 o 264.238 5.6803  8476.44    364.193  8312.83    519.680  8634.35    510.534  261.582 8.1877  266.606 7.8921  -5.023712      11.37206 
1 1 1 -7  -14 16 o 528.143 10.379  33916.77   1330.07  35027.52   1886.11  32817.96   1875.94  536.149 14.498  518.900 14.899  17.24945       20.78929 
1 1 1 -7  -14 17 o 232.791 5.1489  6578.27    290.833  6767.68    416.072  6397.31    406.690  236.053 7.2643  229.501 7.3032  6.551483       10.30086 
1 1 1 -7  -14 18 o 103.108 3.4437  1290.13    86.155   1036.68    126.433  1509.83    117.715  92.232  5.6772  111.534 4.3497  -19.30196      7.151936 
1 1 1 -7  -14 19 o 221.585 4.9355  5960.11    265.362  6591.57    380.693  5363.35    370.089  232.971 6.7345  210.131 7.2586  22.84064       9.901571 
1 1 1 -7  -14 20 o 449.461 8.9098  24555.27   971.679  25799.80   1380.28  23332.56   1368.12  460.306 12.358  437.674 12.883  22.63190       17.85196 
1 1 1 -7  -14 21 o 443.827 8.8746  23946.21   955.715  24172.08   1358.03  23724.58   1345.23  445.466 12.564  441.323 12.563  4.142487       17.76719 
1 1 1 -7  -14 22 o 161.840 4.1701  3179.21    163.757  2885.65    237.543  3445.07    226.059  154.138 6.3514  168.441 5.5311  -14.30235      8.422163 
1 1 1 -7  -14 23 o 420.245 8.5132  21473.96   868.076  20652.10   1234.67  22277.37   1220.74  411.614 12.362  427.598 11.766  -15.98465      17.06632 
1 1 1 -7  -14 24 o 99.077  3.4495  1191.42    82.925   1443.19    123.506  984.744    111.900  109.025 4.6687  89.904  5.1511  19.12113       6.952020 
1 1 1 -7  -14 25 o 122.475 3.6235  1820.83    107.681  1760.08    153.845  1879.17    150.770  120.378 5.2671  124.391 4.9953  -4.012817      7.259163 
1 1 1 -7  -14 26 o 164.255 4.1972  3276.03    167.279  3158.10    238.461  3390.28    234.721  161.193 6.0969  167.029 5.7916  -5.835266      8.409159 
1 1 1 -7  -14 27 o 317.874 6.6402  12289.85   512.156  12168.62   727.295  12409.11   721.337  315.885 9.4889  319.020 9.3187  -3.135406      13.29957 
1 1 1 -7  -14 28 o 225.208 7.1775  6174.04    392.212  6602.29    545.487  5715.68    564.337  232.568 9.6665  216.232 10.756  16.33549       14.46150 
1 1 1 -7  -14 29 o 75.962  4.5874  703.656    84.156   726.479    112.238  674.350    127.188  77.045  6.0526  74.075  7.1659  2.969643       9.380026 
1 1 1 -7  -14 30 o 143.682 5.4171  2510.16    188.855  2603.20    258.311  2403.31    276.811  146.190 7.2822  140.157 8.1751  6.032593       10.94818 
1 1 1 -7  -14 31 o 240.499 5.3236  7032.07    310.659  7199.91    442.731  6869.27    436.023  243.098 7.5058  237.442 7.5681  5.655807       10.65895 
1 1 1 -7  -14 32 f 110.954 3.5172  1494.93    94.690   1482.48    135.902  1506.68    132.007  110.437 5.0716  111.342 4.8862  -0.9051514     7.042495 
1 1 1 -7  -14 33 o 220.221 4.9898  5894.56    266.625  5867.27    380.286  5920.95    373.925  219.498 7.1403  220.517 6.9884  -1.019226      9.991064 
1 1 1 -7  -14 34 o 253.743 5.5354  7829.29    340.808  7696.47    485.744  7958.06    478.292  251.272 7.9671  255.544 7.7137  -4.272446      11.08943 
1 1 1 -7  -14 35 f 154.729 4.1113  2908.31    154.354  2920.51    221.359  2896.77    215.344  154.947 5.8878  154.325 5.7509  0.6215820      8.230324 
1 1 1 -7  -14 36 o 293.458 9.0424  10516.29   643.867  10375.68   938.178  10641.47   885.255  290.388 13.315  294.359 12.394  -3.971161      18.19100 
1 1 1 -7  -14 37 o 171.719 6.2964  3589.40    262.345  3738.94    398.824  3475.35    348.310  174.646 9.4466  168.519 8.5462  6.126328       12.73881 
1 1 1 -7  -14 38 f 142.107 5.9011  2457.74    203.474  2321.34    315.829  2554.53    266.044  137.437 9.5296  144.529 7.6132  -7.091873      12.19733 
1 1 1 -7  -14 39 o 69.612  3.6323  590.282    61.139   594.281    87.035   586.386    85.902   69.704  5.1831  69.240  5.1499  0.4634399      7.306620 
1 1 1 -7  -14 40 o 241.411 5.3572  7093.56    313.805  7136.38    448.355  7052.45    439.355  241.730 7.6441  240.327 7.5344  1.403030       10.73311 
1 1 1 -7  -14 41 f 368.451 7.6914  16600.40   687.616  16802.13   978.211  16403.36   966.763  369.212 10.919  364.803 10.922  4.409088       15.44400 
1 1 1 -7  -14 42 o 99.219  3.5666  1196.74    85.864   1200.78    123.377  1192.94    119.573  99.146  5.1463  98.839  5.0021  0.3068085      7.176714 
1 1 1 -7  -14 43 o 76.190  3.5296  705.908    65.252   741.818    93.365   671.620    91.232   77.859  4.9680  74.048  5.1090  3.810349       7.126214 
1 1 1 -7  -14 44 o 61.528  3.6236  462.206    53.858   513.365    76.158   411.022    76.177   64.698  4.8874  57.756  5.5023  6.941715       7.359469 
1 1 1 -7  -14 45 f 62.398  3.5875  475.475    54.087   448.609    77.547   500.925    75.476   60.356  5.3506  63.876  4.9073  -3.519146      7.260231 
1 1 1 -7  -14 46 o 152.038 4.2122  2818.84    155.391  2839.83    224.574  2799.55    215.235  152.182 6.0818  151.154 5.8685  1.027924       8.451523 
1 1 1 -7  -14 47 o 53.558  3.7476  351.268    48.395   374.161    68.496   328.450    68.385   55.058  5.1884  51.485  5.5626  3.573700       7.606671 
1 1 1 -7  -14 48 o 84.909  4.7280  884.183    97.022   821.227    125.400  978.073    153.141  81.453  6.3964  88.718  7.1755  -7.265007      9.612579 
1 1 1 -7  -14 49 o 142.739 5.5253  2499.82    191.366  2443.17    255.744  2571.91    288.464  140.247 7.5431  143.548 8.3176  -3.300735      11.22854 
1 1 1 -7  -14 50 o 115.176 5.0597  1625.35    141.400  1580.56    186.611  1685.74    216.682  112.923 6.8430  116.301 7.7224  -3.377731      10.31803 
1 1 1 -7  -14 51 o 82.185  5.4984  833.200    109.012  833.200    109.012  0.0000     0.0000   82.185  5.4984  ?       ?       0.000000       5.498386 
1 1 1 -7  -14 52 o 17.906  7.0338  23.762     44.686   23.762     44.686   0.0000     0.0000   17.906  7.0338  ?       ?       0.000000       7.033804 
1 1 1 -7  -14 53 o 48.643  4.2171  291.663    49.281   309.940    67.463   270.752    72.162   49.847  5.6792  46.315  6.6087  3.531761       8.713731 
1 1 1 -7  -14 54 o 94.902  6.0418  1118.39    138.402  968.308    255.004  1181.06    164.783  84.995  12.759  97.142  7.0388  -12.14722      14.57170 
1 1 1 -7  -14 55 o 41.845  7.7626  226.332    75.914   409.484    163.893  176.304    85.657   54.627  12.619  36.478  9.5613  18.14825       15.83223 
1 1 1 -7  -14 56 o 47.609  5.6056  284.195    63.515   363.256    123.509  255.768    74.059   52.274  10.103  44.707  7.0617  7.567455       12.32635 
1 1 1 -7  -14 57 o 40.650  6.8154  212.046    64.843   208.742    168.822  212.618    70.230   39.841  14.042  40.518  7.4169  -0.6767998     15.88079 
1 1 1 -7  -14 58 o 74.650  5.1973  692.772    93.552   673.139    248.656  696.010    100.970  67.695  15.476  74.676  5.6135  -6.980972      16.46223 
1 1 1 -7  -14 59 o 54.320  6.3275  373.347    81.836   0.0000     0.0000   373.347    81.836   ?       ?       54.320  6.3275  0.000000       6.327515 
1 1 1 -7  -14 60 o 29.802  8.5357  116.771    64.879   358.335    121.049  19.407     76.850   51.699  10.011  21.393  8.9167  30.30570       13.40659 
1 1 1 -7  -14 61 o 39.618  7.6429  204.693    70.808   293.511    137.925  172.906    82.511   45.851  12.188  35.924  9.3686  9.927036       15.37264 
1 1 1 -7  -14 62 o 29.470  10.225  106.818    89.329   215.206    168.809  64.663     105.276  39.984  14.046  27.161  10.756  12.82313       17.69140 
1 1 1 -7  -14 63 o 26.670  10.167  73.093     91.331   88.396     167.974  66.670     108.822  32.501  13.329  27.472  10.917  5.029915       17.22923 
1 1 1 -7  -13 1  o 258.630 5.6803  8120.74    356.461  8247.17    505.208  7995.39    503.024  260.546 7.9914  256.534 8.0813  4.011932       11.36526 
1 1 1 -7  -13 2  o 399.739 8.0974  19412.66   785.394  19346.45   1112.01  19478.56   1109.43  398.779 11.492  400.145 11.427  -1.365540      16.20626 
1 1 1 -7  -13 3  o 236.851 6.0609  6811.02    348.321  7381.30    598.903  6519.51    428.188  246.408 10.017  231.677 7.6171  14.73059       12.58414 
1 1 1 -7  -13 4  o 209.482 4.8372  5326.38    245.871  5484.42    348.715  5170.14    346.722  212.520 6.7625  206.336 6.9254  6.183578       9.679466 
1 1 1 -7  -13 5  o 458.314 9.1179  25525.56   1013.97  25673.87   1435.05  25377.70   1432.89  459.267 12.878  456.604 12.933  2.663147       18.25110 
1 1 1 -7  -13 6  o 652.630 12.782  51839.71   2024.15  51844.43   2863.65  51834.99   2861.50  651.609 18.112  651.552 18.100  0.5657959E-01  25.60588 
1 1 1 -7  -13 7  o 324.689 6.7286  12801.29   530.099  12642.95   750.740  12958.73   748.609  322.527 9.5931  326.539 9.4484  -4.011841      13.46474 
1 1 1 -7  -13 8  o 343.619 7.0886  14338.86   591.023  13965.14   836.812  14710.84   834.857  338.936 10.175  347.887 9.8903  -8.950836      14.18995 
1 1 1 -7  -13 9  o 639.710 12.515  49799.30   1942.58  49122.59   2748.01  50475.25   2746.44  634.352 17.854  643.082 17.601  -8.730225      25.07083 
1 1 1 -7  -13 10 o 536.154 14.870  35025.02   1934.43  36674.69   2743.51  33393.99   2727.96  547.547 20.650  522.297 21.526  25.24994       29.82913 
1 1 1 -7  -13 11 o 632.974 17.677  48903.46   2714.85  46709.39   3848.19  51077.58   3830.64  616.533 25.724  645.107 24.472  -28.57385      35.50512 
1 1 1 -7  -13 12 o 352.616 10.194  15115.25   872.181  15131.27   1242.53  15099.70   1224.56  352.435 14.530  352.087 14.334  0.3485413      20.41038 
1 1 1 -7  -13 13 o 318.540 9.3386  12331.07   721.791  12383.65   1030.23  12280.38   1011.56  318.938 13.313  317.621 13.126  1.317291       18.69510 
1 1 1 -7  -13 14 o 663.268 18.452  53728.67   2969.61  52600.79   4210.33  54845.18   4189.06  653.954 26.534  667.994 25.845  -14.03937      37.04102 
1 1 1 -7  -13 15 o 446.096 8.8531  24180.40   958.266  25425.84   1360.04  22952.54   1350.40  457.115 12.262  434.254 12.816  22.86108       17.73721 
1 1 1 -7  -13 16 o 202.826 4.6557  4993.10    229.124  5143.70    328.621  4850.64    319.628  205.818 6.5803  199.868 6.5908  5.949371       9.313404 
1 1 1 -7  -13 17 o 243.595 5.3146  7203.15    314.128  7540.04    449.312  6881.04    439.344  249.158 7.4321  238.014 7.6074  11.14352       10.63523 
1 1 1 -7  -13 18 o 405.634 8.2279  19990.29   809.822  19253.64   1150.93  20712.61   1139.68  397.781 11.925  412.631 11.383  -14.85037      16.48533 
1 1 1 -7  -13 19 o 270.368 5.8939  8875.06    386.657  7894.62    552.461  9816.42    541.338  254.872 8.9334  284.262 7.8485  -29.38998      11.89133 
1 1 1 -7  -13 20 o 143.552 3.8872  2500.94    135.396  2446.98    196.933  2549.30    186.455  141.967 5.7170  144.912 5.3028  -2.945236      7.797670 
1 1 1 -7  -13 21 o 589.589 11.583  42309.83   1657.10  41739.61   2346.10  42877.53   2340.89  584.621 16.539  592.597 16.280  -7.976013      23.20730 
1 1 1 -7  -13 22 o 342.422 7.1517  14244.21   594.199  14295.03   842.777  14193.99   837.894  342.801 10.132  341.589 10.109  1.211639       14.31295 
1 1 1 -7  -13 23 o 494.056 9.8513  29696.79   1180.95  29834.51   1672.80  29559.96   1667.46  494.502 13.942  492.218 13.962  2.284637       19.73049 
1 1 1 -7  -13 24 o 210.852 4.8499  5397.99    248.126  5412.66    353.020  5383.67    348.824  211.055 6.8935  210.492 6.8298  0.5628204      9.703948 
1 1 1 -7  -13 25 o 426.191 8.6917  22102.40   898.822  21759.76   1273.80  22442.18   1268.47  422.216 12.434  428.836 12.191  -6.620087      17.41289 
1 1 1 -7  -13 26 o 261.637 5.6774  8317.37    360.426  8515.64    512.351  8123.11    507.127  264.542 7.9819  258.363 8.0895  6.179443       11.36449 
1 1 1 -7  -13 27 o 186.365 4.5212  4218.43    204.448  4195.47    291.459  4240.68    286.860  185.747 6.4668  186.754 6.3305  -1.007065      9.049579 
1 1 1 -7  -13 28 o 258.933 7.7532  8165.18    487.118  7128.23    678.311  9269.42    699.976  241.368 11.582  275.455 10.473  -34.08675      15.61494 
1 1 1 -7  -13 29 o 184.340 6.3995  4134.55    286.240  5019.67    394.997  3155.70    415.382  202.948 8.0213  160.276 10.743  42.67230       13.40743 
1 1 1 -7  -13 30 o 213.467 6.8288  5547.54    353.702  5373.74    489.367  5737.64    511.808  209.740 9.6159  216.707 9.7335  -6.967163      13.68235 
1 1 1 -7  -13 31 o 355.972 7.4461  15436.26   643.144  15427.41   913.117  15444.97   906.012  355.127 10.597  355.354 10.508  -0.2266235     14.92336 
1 1 1 -7  -13 32 o 184.221 4.4341  4123.21    198.201  4182.40    282.979  4066.21    277.693  185.404 6.2903  182.813 6.2603  2.590866       8.874639 
1 1 1 -7  -13 33 f 150.704 4.0300  2758.68    147.364  2763.04    210.663  2754.49    206.217  150.730 5.7600  150.504 5.6469  0.2264862      8.066325 
1 1 1 -7  -13 34 o 136.848 3.8981  2274.59    129.437  2225.95    185.520  2320.72    180.678  135.294 5.6513  138.158 5.3897  -2.864929      7.809371 
1 1 1 -7  -13 35 o 261.264 5.6982  8301.68    361.230  8344.68    514.731  8259.96    507.067  261.610 8.1089  260.291 8.0286  1.318726       11.41111 
1 1 1 -7  -13 36 o 190.483 6.8636  4418.35    317.231  3845.17    473.960  4883.53    426.973  176.831 11.103  200.021 8.7976  -23.19002      14.16572 
1 1 1 -7  -13 37 o 268.561 8.5093  8803.21    554.497  8547.93    812.874  9025.38    758.321  263.666 12.706  271.250 11.522  -7.584595      17.15200 
1 1 1 -7  -13 38 o 118.447 5.6814  1707.06    163.283  1501.67    259.504  1841.67    210.083  110.355 9.7932  122.728 7.0849  -12.37271      12.08725 
1 1 1 -7  -13 39 o 154.822 4.2098  2913.18    158.147  2890.63    227.000  2934.45    220.451  154.074 6.0720  155.258 5.8519  -1.183884      8.432886 
1 1 1 -7  -13 40 o 157.458 4.2092  3013.96    160.816  3076.63    230.594  2954.62    224.389  158.923 5.9799  155.745 5.9378  3.178635       8.427153 
1 1 1 -7  -13 41 o 228.326 5.2502  6348.28    290.867  6341.35    416.009  6354.91    406.840  227.757 7.5278  228.040 7.3527  -0.2832031     10.52283 
1 1 1 -7  -13 42 o 100.208 3.5785  1220.76    87.009   1180.02    125.549  1258.41    120.693  98.262  5.2852  101.651 4.8933  -3.388649      7.202621 
1 1 1 -7  -13 43 o 137.862 3.9574  2312.68    132.381  2315.06    190.192  2310.45    184.372  137.715 5.6918  137.602 5.5221  0.1126709      7.930335 
1 1 1 -7  -13 44 o 32.083  4.7426  128.175    35.806   155.841    50.176   99.465     51.113   35.203  6.0949  27.968  7.4124  7.234585       9.596474 
1 1 1 -7  -13 45 o 32.923  4.7399  134.937    36.774   165.980    51.191   101.835    52.862   36.351  6.0141  28.276  7.5591  8.074770       9.659655 
1 1 1 -7  -13 46 o 193.154 4.8181  4556.93    225.812  4575.36    324.543  4539.63    314.392  192.851 6.9357  192.169 6.7425  0.6815033      9.672903 
1 1 1 -7  -13 47 o 96.425  3.6954  1132.98    86.460   1154.84    122.748  1111.46    121.802  96.999  5.2347  95.141  5.2972  1.858131       7.447356 
1 1 1 -7  -13 48 o 20.499  6.7350  49.706     38.742   9.1395     45.750   152.535    72.839   16.652  6.9051  34.353  8.7227  -17.70040      11.12497 
1 1 1 -7  -13 49 f 132.798 5.4202  2162.70    174.652  2304.21    232.725  1980.24    264.259  136.395 7.0561  125.734 8.7157  10.66100       11.21391 
1 1 1 -7  -13 50 o 71.025  6.0674  625.019    103.558  625.019    103.558  0.0000     0.0000   71.025  6.0674  ?       ?       0.000000       6.067354 
1 1 1 -7  -13 51 o 29.499  7.6160  112.112    54.888   112.112    54.888   0.0000     0.0000   29.499  7.6160  ?       ?       0.000000       7.616032 
1 1 1 -7  -13 52 o 77.431  3.7797  732.023    71.012   651.041    101.465  809.771    99.418   72.486  5.8180  81.079  5.0791  -8.592705      7.723094 
1 1 1 -7  -13 53 o 48.132  4.3602  285.950    50.369   298.245    69.893   272.665    72.653   48.797  6.0314  46.471  6.6314  2.325779       8.964000 
1 1 1 -7  -13 54 o 61.785  6.4776  478.479    95.665   225.470    184.062  572.122    111.978  41.908  14.670  67.466  6.9394  -25.55856      16.22874 
1 1 1 -7  -13 55 o 44.669  7.5353  256.404    78.765   298.151    167.718  244.591    89.216   46.376  13.847  43.206  8.8087  3.169136       16.41144 
1 1 1 -7  -13 56 o 72.160  3.9432  639.968    68.780   621.040    96.823   659.248    97.721   70.587  5.7018  72.780  5.5761  -2.193146      7.975163 
1 1 1 -7  -13 57 o 29.340  8.0910  112.734    59.465   137.572    187.389  109.953    62.706   36.388  14.369  29.031  8.4138  7.356316       16.65093 
1 1 1 -7  -13 58 o 33.914  7.9217  151.436    64.009   0.0000     0.0000   151.436    64.009   ?       ?       33.914  7.9217  0.000000       7.921681 
1 1 1 -7  -13 59 o 41.020  6.3954  214.890    61.578   -19.9557   132.171  279.997    69.592   24.918  11.036  46.978  6.2610  -22.05996      12.68835 
1 1 1 -7  -13 60 o 46.328  6.5959  273.620    72.052   267.667    134.117  276.036    85.428   43.848  12.174  46.069  7.9284  -2.220699      14.52790 
1 1 1 -7  -13 61 o 38.312  7.8300  192.207    70.330   216.689    128.647  181.771    83.993   39.733  12.185  36.834  9.3744  2.899773       15.37379 
1 1 1 -7  -13 62 o 18.748  8.4166  -28.9391   79.615   -62.2681   157.909  -17.5793   92.190   25.507  11.611  20.895  9.2374  4.612041       14.83753 
1 1 1 -7  -13 63 o 25.395  10.044  56.077     91.695   80.965     169.183  45.726     109.110  32.177  13.305  26.138  10.733  6.038975       17.09493 
1 1 1 -7  -12 1  o 453.767 9.0903  25022.21   1000.86  24763.90   1416.66  25279.63   1414.21  451.032 12.945  455.723 12.789  -4.690704      18.19709 
1 1 1 -7  -12 2  o 498.068 9.8632  30154.06   1191.98  30598.18   1687.19  29711.48   1684.25  501.252 13.872  493.911 14.054  7.340881       19.74705 
1 1 1 -7  -12 3  o 564.947 11.114  38814.43   1523.47  38214.59   2155.82  39412.81   2153.20  559.868 15.870  568.623 15.606  -8.755249      22.25743 
1 1 1 -7  -12 4  f 72.396  3.0948  635.987    54.364   632.882    77.512   638.993    76.267   72.075  4.4541  72.430  4.3600  -0.3548660     6.232817 
1 1 1 -7  -12 5  o 445.734 8.9325  24140.74   966.083  24130.83   1367.39  24150.61   1365.11  445.300 12.655  445.485 12.629  -0.1853333     17.87880 
1 1 1 -7  -12 6  o 128.536 3.6204  2004.89    112.914  1981.51    160.519  2027.78    158.863  127.767 5.1778  129.252 5.0655  -1.484749      7.243502 
1 1 1 -7  -12 7  f 499.552 9.8718  30332.17   1196.58  30602.20   1693.21  30062.76   1691.23  501.311 13.920  496.858 14.028  4.452271       19.76262 
1 1 1 -7  -12 8  o 445.450 8.9471  24109.89   967.047  23073.13   1371.68  25134.45   1363.58  435.401 12.984  454.501 12.365  -19.10080      17.92934 
1 1 1 -7  -12 9  o 407.631 8.2066  20184.88   811.703  19919.32   1152.17  20446.56   1143.72  404.670 11.734  410.012 11.496  -5.342163      16.42729 
1 1 1 -7  -12 10 o 398.702 8.0610  19309.41   779.835  18693.05   1107.22  19916.14   1098.54  392.024 11.640  404.686 11.188  -12.66168      16.14473 
1 1 1 -7  -12 11 o 454.512 13.053  25143.95   1439.49  22275.10   2045.02  27961.38   2026.61  426.909 19.742  478.691 17.448  -51.78235      26.34769 
1 1 1 -7  -12 12 o 470.472 13.153  26942.22   1501.54  28097.48   2133.69  25808.78   2113.46  479.710 18.331  459.657 18.949  20.05295       26.36491 
1 1 1 -7  -12 13 o 113.700 4.8012  1569.08    132.456  1730.86    195.720  1432.37    179.919  119.198 6.7952  108.391 6.8766  10.80703       9.667632 
1 1 1 -7  -12 14 o 437.248 12.465  23263.78   1322.49  22516.30   1881.69  23993.40   1859.09  429.467 18.057  443.446 17.278  -13.97928      24.99194 
1 1 1 -7  -12 15 o 55.111  3.1270  369.741    41.643   367.987    61.403   371.233    56.665   54.866  4.6564  55.142  4.2684  -0.2761803     6.316749 
1 1 1 -7  -12 16 o 566.919 11.037  39084.25   1518.23  40974.06   2152.46  37213.12   2141.80  579.832 15.299  552.468 15.977  27.36462       22.12112 
1 1 1 -7  -12 17 o 498.802 9.9145  30243.41   1199.95  29742.89   1702.58  30737.40   1691.45  494.155 14.200  502.393 13.876  -8.238434      19.85358 
1 1 1 -7  -12 18 o 453.063 9.0879  24944.48   999.051  24867.34   1415.04  25021.17   1410.72  451.980 12.903  453.385 12.824  -1.405121      18.19136 
1 1 1 -7  -12 19 o 585.334 11.463  41680.09   1628.02  42220.35   2304.71  41142.02   2300.03  588.326 16.145  580.730 16.323  7.596375       22.95844 
1 1 1 -7  -12 20 o 414.151 8.3323  20840.54   837.312  21783.81   1186.41  19904.45   1181.88  423.125 11.556  404.411 12.044  18.71451       16.69150 
1 1 1 -7  -12 21 o 364.948 7.5540  16179.61   668.912  16816.72   948.146  15548.27   943.839  371.835 10.509  357.504 10.881  14.33109       15.12700 
1 1 1 -7  -12 22 o 87.090  3.2950  920.429    69.628   969.251    98.777   872.211    98.164   89.242  4.5771  84.629  4.8002  4.612228       6.632604 
1 1 1 -7  -12 23 o 277.130 5.9781  9326.73    401.987  9352.22    570.579  9301.61    566.435  277.370 8.4780  276.621 8.4392  0.7489624      11.96229 
1 1 1 -7  -12 24 o 228.223 5.2427  6324.58    290.320  6324.13    412.667  6325.03    408.515  228.114 7.4556  228.134 7.3800  -0.2030945E-01 10.49047 
1 1 1 -7  -12 25 o 357.114 7.2368  15502.48   627.068  15697.04   889.445  15310.21   884.196  358.998 10.211  354.538 10.278  4.460297       14.48811 
1 1 1 -7  -12 26 o 184.763 4.5312  4145.38    203.138  4247.31    289.471  4046.48    285.139  186.936 6.3819  182.460 6.4406  4.476120       9.066929 
1 1 1 -7  -12 27 f 488.004 9.8380  29041.62   1164.91  29168.47   1650.57  28915.74   1644.31  487.805 13.945  485.684 13.953  2.120636       19.72696 
1 1 1 -7  -12 28 f 191.449 6.4426  4458.15    299.279  4790.95    413.031  4090.26    434.255  198.269 8.5855  182.809 9.8260  15.45938       13.04842 
1 1 1 -7  -12 29 o 74.641  4.6156  679.499    83.184   575.148    109.865  819.685    127.339  68.421  6.7038  81.825  6.4664  -13.40375      9.314234 
1 1 1 -7  -12 30 o 408.337 11.770  20434.49   1166.21  20813.19   1637.05  20044.28   1661.78  410.142 16.450  402.215 17.027  7.926880       23.67563 
1 1 1 -7  -12 31 o 273.314 5.9082  9085.78    391.815  9012.52    557.205  9157.43    551.067  271.850 8.4474  274.053 8.2871  -2.203400      11.83363 
1 1 1 -7  -12 32 o 136.959 3.8828  2278.16    129.033  2342.36    184.868  2217.17    180.183  138.800 5.4892  135.039 5.4991  3.760620       7.769900 
1 1 1 -7  -12 33 o 231.991 5.1924  6542.16    292.281  6828.77    416.879  6265.06    409.906  236.800 7.2555  226.792 7.4489  10.00743       10.39844 
1 1 1 -7  -12 34 o 191.731 4.5869  4466.71    213.391  4395.81    304.651  4535.01    298.990  190.047 6.6066  193.053 6.3829  -3.006119      9.186308 
1 1 1 -7  -12 35 o 30.098  5.3661  113.446    37.751   151.079    52.088   71.808     54.791   34.686  6.4257  24.686  8.0043  9.999989       10.26438 
1 1 1 -7  -12 36 o 259.040 8.3316  8185.06    523.671  7740.34    769.035  8569.56    715.071  250.705 12.683  264.492 11.142  -13.78647      16.88244 
1 1 1 -7  -12 37 o 257.929 8.0714  8114.75    505.139  8638.57    743.965  7666.71    688.057  265.376 11.554  250.053 11.340  15.32268       16.18938 
1 1 1 -7  -12 38 o 355.206 10.682  15464.35   920.651  15049.70   1333.18  15842.34   1272.90  348.328 15.774  357.918 14.657  -9.591034      21.53240 
1 1 1 -7  -12 39 o 40.092  4.3659  197.679    41.784   258.240    59.470   138.636    58.720   45.745  5.4660  33.061  7.4931  12.68460       9.274924 
1 1 1 -7  -12 40 f 213.258 4.9986  5533.35    258.653  5568.84    369.867  5499.39    361.845  213.623 7.1357  212.306 7.0242  1.317017       10.01283 
1 1 1 -7  -12 41 o 101.616 3.6432  1254.99    89.826   1196.55    129.111  1309.82    125.052  98.969  5.3969  103.731 4.9684  -4.761757      7.335667 
1 1 1 -7  -12 42 o 162.981 4.2536  3232.08    168.212  3268.36    241.520  3197.91    234.415  163.642 6.0827  161.887 5.9677  1.755219       8.521314 
1 1 1 -7  -12 43 o 83.627  3.5718  850.551    72.476   840.099    104.490  860.241    100.613  82.834  5.2256  83.861  4.9667  -1.027161      7.209340 
1 1 1 -7  -12 44 f 53.350  4.0838  348.615    52.462   378.718    78.496   324.313    70.528   55.341  5.9385  51.192  5.7792  4.149372       8.286411 
1 1 1 -7  -12 45 o 76.967  3.7071  721.274    69.232   694.896    95.424   750.588    100.597  75.231  5.2606  78.189  5.3343  -2.957878      7.491905 
1 1 1 -7  -12 46 o 113.293 3.8428  1563.95    105.636  1570.10    150.266  1557.94    148.532  113.265 5.4677  112.833 5.4252  0.4319153      7.702500 
1 1 1 -7  -12 47 o 98.339  3.7234  1178.52    88.845   1239.49    126.196  1118.61    125.102  100.508 5.1924  95.417  5.4259  5.090805       7.510081 
1 1 1 -7  -12 48 o 12.299  5.3888  -7.1934    30.733   25.796     36.130   -93.5478   58.455   16.973  6.4129  12.780  6.1799  4.193337       8.906002 
1 1 1 -7  -12 49 o 126.450 7.0592  1981.13    215.725  1981.13    215.725  0.0000     0.0000   126.450 7.0592  ?       ?       0.000000       7.059168 
1 1 1 -7  -12 50 o 126.202 7.0548  1975.19    215.167  1975.19    215.167  0.0000     0.0000   126.202 7.0548  ?       ?       0.000000       7.054800 
1 1 1 -7  -12 51 o 86.875  4.2890  922.599    90.409   929.664    114.421  910.857    147.506  86.839  5.4581  85.459  7.1801  1.380089       9.019135 
1 1 1 -7  -12 52 o 86.189  3.7854  907.053    79.164   852.726    112.789  959.800    111.138  83.064  5.6294  88.258  5.2129  -5.194427      7.672309 
1 1 1 -7  -12 53 o 50.236  4.2259  311.021    51.033   269.684    71.604   353.692    72.751   46.223  6.5691  53.271  5.7178  -7.048065      8.709013 
1 1 1 -7  -12 54 o 80.701  6.0315  810.131    117.252  828.209    224.233  803.328    137.557  78.814  12.113  79.958  7.1662  -1.143631      14.07419 
1 1 1 -7  -12 55 o 94.695  6.0615  1116.24    138.543  1188.28    257.969  1087.05    164.238  94.767  11.451  92.895  7.3464  1.872490       13.60494 
1 1 1 -7  -12 56 o 62.343  4.0374  478.512    60.746   513.969    84.907   441.333    86.944   64.230  5.5011  59.292  6.1320  4.938198       8.237947 
1 1 1 -7  -12 57 o 47.366  6.6639  285.645    74.470   0.0000     0.0000   285.645    74.470   ?       ?       47.366  6.6639  0.000000       6.663919 
1 1 1 -7  -12 58 o 68.640  5.7599  589.320    95.044   0.0000     0.0000   589.320    95.044   ?       ?       68.640  5.7599  0.000000       5.759925 
1 1 1 -7  -12 59 o 29.340  6.0084  110.892    41.335   88.137     49.173   165.697    76.312   26.071  7.4187  35.271  8.9131  -9.199841      11.59660 
1 1 1 -7  -12 60 o 32.114  8.6807  136.496    69.257   55.903     125.401  171.867    83.076   28.214  11.537  35.839  9.4269  -7.625326      14.89878 
1 1 1 -7  -12 61 o 42.065  7.5906  229.805    74.624   146.890    144.745  259.822    87.090   34.961  12.910  44.508  8.3717  -9.546974      15.38708 
1 1 1 -7  -12 62 o 46.434  9.9411  290.650    108.626  397.967    189.975  238.519    132.406  52.178  14.490  41.390  12.291  10.78850       19.00029 
1 1 1 -7  -12 63 o 37.544  10.664  193.380    101.698  339.095    182.671  127.931    122.425  47.947  14.482  32.468  11.892  15.47917       18.73865 
1 1 1 -7  -11 1  f 410.259 11.784  20474.35   1173.03  20204.76   1668.82  20737.62   1649.17  406.977 16.900  412.363 16.482  -5.386566      23.60651 
1 1 1 -7  -11 2  o 269.676 8.2287  8834.41    538.439  8979.26    769.808  8695.67    753.393  271.701 11.677  267.380 11.613  4.321075       16.46823 
1 1 1 -7  -11 3  o 307.710 6.4434  11496.29   481.086  11328.30   681.819  11662.86   678.908  305.329 9.2032  309.814 9.0312  -4.485016      12.89422 
1 1 1 -7  -11 4  f 427.786 8.6203  22232.86   894.771  21693.48   1266.64  22770.12   1264.16  422.253 12.363  432.636 12.042  -10.38306      17.25858 
1 1 1 -7  -11 5  o 427.896 8.5684  22243.85   889.617  21922.09   1259.24  22564.45   1256.98  424.486 12.226  430.680 12.028  -6.193665      17.15098 
1 1 1 -7  -11 6  o 349.486 7.0929  14832.15   601.479  15781.35   854.633  13900.57   846.661  360.342 9.7746  338.154 10.319  22.18802       14.21346 
1 1 1 -7  -11 7  f 714.682 13.866  62191.48   2404.55  64017.03   3404.90  60375.25   3396.21  723.848 19.386  702.821 19.915  21.02716       27.79285 
1 1 1 -7  -11 8  o 293.073 6.2039  10427.98   441.166  9520.97    628.023  11311.57   619.863  279.913 9.2467  305.146 8.3719  -25.23251      12.47360 
1 1 1 -7  -11 9  o 407.346 8.2207  20156.48   812.525  19705.24   1153.32  20601.13   1144.89  402.488 11.810  411.567 11.465  -9.078888      16.45915 
1 1 1 -7  -11 10 o 291.948 6.1520  10347.99   435.796  10386.62   620.479  10310.39   612.222  292.386 8.7459  291.315 8.6613  1.070892       12.30889 
1 1 1 -7  -11 11 o 706.402 15.872  60826.70   2720.54  62539.49   4723.89  59976.69   3327.83  712.987 27.306  700.588 19.576  12.39972       33.59825 
1 1 1 -7  -11 12 o 356.409 10.292  15441.76   890.061  15650.17   1269.74  15240.43   1248.01  358.446 14.599  353.728 14.541  4.717682       20.60502 
1 1 1 -7  -11 13 o 394.089 11.155  18885.86   1066.71  20057.43   1520.67  17750.90   1496.72  405.694 15.448  381.574 16.166  24.11975       22.36013 
1 1 1 -7  -11 14 o 443.168 12.649  23898.76   1360.13  23024.28   1936.39  24750.35   1910.89  434.261 18.377  450.379 17.486  -16.11804      25.36696 
1 1 1 -7  -11 15 o 309.628 6.4260  11639.95   482.775  11966.69   684.534  11316.60   680.973  313.826 8.9896  305.172 9.1965  8.654175       12.86034 
1 1 1 -7  -11 16 o 273.150 5.8484  9057.72    387.614  8783.24    549.791  9328.97    546.562  268.886 8.4269  277.126 8.1283  -8.240387      11.70813 
1 1 1 -7  -11 17 o 408.268 8.2207  20248.29   814.365  20119.75   1153.57  20376.00   1149.81  406.701 11.690  409.293 11.578  -2.592041      16.45287 
1 1 1 -7  -11 18 o 283.164 6.0270  9734.62    414.098  9592.72    587.360  9874.85    583.901  280.988 8.6149  285.099 8.4407  -4.110443      12.06079 
1 1 1 -7  -11 19 o 618.744 12.224  46586.89   1835.22  47683.30   2597.46  45493.96   2593.33  625.079 17.126  610.479 17.507  14.59949       24.49092 
1 1 1 -7  -11 20 o 288.488 6.0208  10104.62   421.449  9940.86    597.770  10266.48   594.284  286.026 8.6132  290.683 8.4258  -4.656555      12.04911 
1 1 1 -7  -11 21 o 198.594 4.7036  4787.16    226.652  4488.34    322.047  5080.42    319.043  192.241 6.9041  204.542 6.4284  -12.30148      9.433518 
1 1 1 -7  -11 22 o 252.169 5.4836  7720.26    335.523  7847.00    476.582  7595.70    472.447  254.140 7.7286  250.035 7.7873  4.105179       10.97149 
1 1 1 -7  -11 23 o 385.913 7.8198  18097.59   732.234  18286.59   1038.05  17910.41   1033.04  387.610 11.037  383.595 11.099  4.014465       15.65265 
1 1 1 -7  -11 24 o 341.490 7.0170  14169.01   581.425  14395.42   824.842  13945.41   819.700  343.955 9.8834  338.526 9.9793  5.428497       14.04517 
1 1 1 -7  -11 25 o 156.857 4.0017  2986.70    152.303  2979.94    217.077  2993.25    213.739  156.632 5.7117  156.985 5.6113  -0.3526764     8.006903 
1 1 1 -7  -11 26 o 313.866 6.5121  11973.54   495.940  12123.47   703.867  11825.73   698.888  315.536 9.1934  311.631 9.2428  3.904877       13.03642 
1 1 1 -7  -11 27 o 170.600 4.3334  3534.42    179.378  3655.30    255.663  3417.21    251.741  173.411 6.0761  167.662 6.1881  5.748688       8.672456 
1 1 1 -7  -11 28 o 121.235 5.1225  1786.01    150.686  1955.96    203.528  1579.84    224.170  126.630 6.6473  113.591 8.1883  13.03899       10.54678 
1 1 1 -7  -11 29 o 317.514 9.3884  12304.75   723.302  12290.05   1010.43  12320.20   1035.85  316.410 13.161  316.707 13.480  -0.2969055     18.83915 
1 1 1 -7  -11 30 o 160.620 5.9023  3137.81    230.030  3626.07    314.432  2575.59    337.405  172.530 7.5110  144.901 9.6518  27.62947       12.22998 
1 1 1 -7  -11 31 o 344.898 7.2451  14486.12   606.316  14809.26   860.774  14167.91   854.185  348.084 10.192  340.426 10.341  7.658112       14.51916 
1 1 1 -7  -11 32 o 322.911 6.7821  12691.64   531.390  12959.90   754.926  12428.20   748.117  325.785 9.5501  319.007 9.6651  6.777740       13.58746 
1 1 1 -7  -11 33 o 148.726 3.9293  2686.48    141.795  2715.11    203.071  2659.24    198.078  149.431 5.6007  147.891 5.5199  1.540649       7.863664 
1 1 1 -7  -11 34 o 306.243 6.5419  11413.24   486.107  11255.84   690.939  11567.52   684.031  303.629 9.3785  307.850 9.1574  -4.220459      13.10779 
1 1 1 -7  -11 35 o 227.449 5.1798  6288.80    285.866  6226.92    407.649  6348.66    400.984  226.088 7.4310  228.312 7.2383  -2.223328      10.37360 
1 1 1 -7  -11 36 o 247.837 8.1064  7489.95    487.482  6937.81    717.871  7962.43    664.074  237.378 12.508  255.047 10.731  -17.66902      16.48009 
1 1 1 -7  -11 37 o 236.273 7.7350  6806.27    443.447  6756.55    656.887  6847.89    601.078  234.702 11.535  236.509 10.474  -1.807281      15.58073 
1 1 1 -7  -11 38 o 440.378 12.810  23876.22   1368.84  23866.46   1968.18  23885.38   1905.02  436.793 18.571  437.400 17.950  -0.6070557     25.82745 
1 1 1 -7  -11 39 o 188.629 4.5404  4325.70    207.811  4309.14    297.623  4341.45    290.292  188.060 6.5224  188.787 6.3372  -0.7261963     9.094049 
1 1 1 -7  -11 40 o 231.072 5.3681  6499.58    300.973  6586.42    430.116  6416.28    421.301  232.213 7.6337  229.206 7.5754  3.007080       10.75452 
1 1 1 -7  -11 41 o 46.480  3.9995  264.620    44.667   266.314    63.673   262.977    62.676   46.390  5.7823  46.103  5.7261  0.2869835      8.137752 
1 1 1 -7  -11 42 o 186.405 4.6005  4230.32    208.078  4048.44    298.008  4403.35    290.663  181.987 6.7488  189.886 6.3086  -7.899445      9.238186 
1 1 1 -7  -11 43 o 87.449  3.6874  930.261    78.241   940.781    110.018  919.497    111.293  87.675  5.1947  86.656  5.3187  1.019318       7.434648 
1 1 1 -7  -11 44 o 133.029 4.4658  2156.84    144.147  2238.51    232.060  2105.53    183.936  134.868 7.1165  131.235 5.7764  3.633545       9.165742 
1 1 1 -7  -11 45 o 72.437  3.8560  640.888    67.529   547.075    92.656   747.177    98.625   66.612  5.7903  78.022  5.2400  -11.41045      7.809330 
1 1 1 -7  -11 46 o 56.626  4.0752  392.934    55.618   419.039    74.698   360.458    83.317   58.285  5.3412  53.791  6.5164  4.493923       8.425726 
1 1 1 -7  -11 47 o 40.142  4.6556  199.464    44.504   143.223    57.455   283.827    70.368   33.443  7.2865  47.678  6.2318  -14.23499      9.587896 
1 1 1 -7  -11 48 o 104.607 4.9616  1339.00    125.935  1311.76    163.734  1378.45    197.058  103.003 6.5857  105.217 7.7737  -2.214157      10.18832 
1 1 1 -7  -11 49 o 77.686  6.1148  746.592    114.331  746.592    114.331  0.0000     0.0000   77.686  6.1148  ?       ?       0.000000       6.114826 
1 1 1 -7  -11 50 o 105.557 5.6197  1372.05    143.415  1372.05    143.415  0.0000     0.0000   105.557 5.6197  ?       ?       0.000000       5.619707 
1 1 1 -7  -11 51 o 121.636 4.6076  1810.86    135.986  1772.46    171.547  1875.80    223.073  120.005 5.8914  122.687 7.5299  -2.681900      9.560761 
1 1 1 -7  -11 52 o 77.162  3.8250  727.162    71.613   836.854    101.714  619.335    100.845  82.410  5.1119  70.645  5.9382  11.76536       7.835432 
1 1 1 -7  -11 53 o 66.495  5.1022  546.543    81.692   828.377    194.221  485.965    90.045   79.993  10.242  62.448  6.0171  17.54528       11.87836 
1 1 1 -7  -11 54 o 36.489  8.3235  173.997    72.063   120.412    155.565  188.638    81.313   34.351  13.227  37.870  8.9846  -3.519196      15.98983 
1 1 1 -7  -11 55 o 31.258  8.7257  127.811    68.706   207.921    152.563  107.430    76.951   39.761  13.374  29.232  9.4865  10.52905       16.39702 
1 1 1 -7  -11 56 o 22.136  6.0396  62.866     33.341   61.226     42.857   65.381     53.066   22.233  7.0656  23.378  7.8875  -1.145630      10.58945 
1 1 1 -7  -11 57 o 21.136  7.7125  47.366     51.426   0.0000     0.0000   47.366     51.426   ?       ?       21.136  7.7125  0.000000       7.712490 
1 1 1 -7  -11 58 o 23.662  6.1090  72.365     35.316   74.689     44.305   68.314     58.487   24.134  7.0948  24.021  8.2775  0.1124039      10.90198 
1 1 1 -7  -11 59 o 32.158  5.7575  132.104    43.275   106.828    51.735   190.988    78.965   28.579  7.4017  37.933  8.7568  -9.353825      11.46594 
1 1 1 -7  -11 60 o 31.640  5.7544  127.950    42.551   139.298    50.734   101.032    78.134   32.830  6.5978  28.503  9.5712  4.326681       11.62494 
1 1 1 -7  -11 61 o 41.742  4.9767  218.123    49.412   232.728    60.081   187.599    86.858   42.869  5.9352  37.385  9.5427  5.483658       11.23791 
1 1 1 -7  -11 62 o 38.456  10.637  201.899    102.595  100.289    178.614  251.930    125.333  33.792  13.788  42.559  11.750  -8.767799      18.11578 
1 1 1 -7  -11 63 o 27.724  9.0063  98.491     69.351   233.358    137.019  52.043     80.411   40.680  12.592  24.094  9.4445  16.58603       15.74024 
1 1 1 -7  -10 1  o 540.394 15.152  35580.75   1986.81  35438.93   2819.04  35720.71   2800.61  538.133 21.590  540.318 21.362  -2.184204      30.37181 
1 1 1 -7  -10 2  o 195.878 6.5815  4658.61    312.806  4199.72    449.601  5089.13    435.486  185.613 10.020  204.665 8.7693  -19.05226      13.31544 
1 1 1 -7  -10 3  o 161.422 8.0196  3165.05    314.111  0.0000     0.0000   3165.05    314.111  ?       ?       161.422 8.0196  0.000000       8.019637 
1 1 1 -7  -10 4  o 973.747 21.837  116055.90  5159.54  116933.10  6321.28  114305.20  8930.48  975.291 26.712  957.569 38.436  17.72156       46.80680 
1 1 1 -7  -10 5  o 84.012  3.0584  856.424    62.344   874.277    90.905   840.569    85.664   84.759  4.4356  83.114  4.2621  1.644272       6.151400 
1 1 1 -7  -10 6  o 332.267 6.8677  13405.82   553.686  12888.58   787.205  13912.23   778.921  325.635 9.9631  338.349 9.4878  -12.71365      13.75792 
1 1 1 -7  -10 7  o 710.313 13.791  61430.71   2376.89  62874.92   3365.95  59994.24   3356.92  717.379 19.337  700.648 19.746  16.73096       27.63747 
1 1 1 -7  -10 8  o 177.303 4.3208  3815.22    185.886  3041.27    266.564  4547.86    259.350  158.257 6.9418  193.558 5.5222  -35.30113      8.870381 
1 1 1 -7  -10 9  o 180.089 4.3865  3936.08    191.677  3049.88    274.665  4777.39    267.618  158.477 7.1429  198.382 5.5597  -39.90517      9.051561 
1 1 1 -7  -10 10 o 714.787 13.960  62212.24   2421.18  61158.77   3428.69  63260.04   3419.47  707.357 19.977  719.510 19.587  -12.15259      27.97683 
1 1 1 -7  -10 11 o 330.482 6.8416  13262.02   548.618  13166.25   780.363  13355.61   771.440  329.136 9.7714  331.506 9.5906  -2.369324      13.69162 
1 1 1 -7  -10 12 o 88.953  4.5646  962.854    98.189   832.035    147.656  1066.56    131.470  82.434  7.4630  93.552  5.8206  -11.11735      9.464476 
1 1 1 -7  -10 13 o 952.278 26.105  111411.40  6031.75  114911.70  8543.59  107933.00  8516.85  961.312 36.628  930.990 37.702  30.32233       52.56503 
1 1 1 -7  -10 14 o 141.812 5.4069  2441.17    186.048  2394.62    274.685  2480.62    252.887  140.173 8.1109  142.734 7.3266  -2.561508      10.93001 
1 1 1 -7  -10 15 o 203.992 6.8022  5052.79    336.689  4476.31    488.853  5573.01    464.387  191.597 10.556  214.169 8.9364  -22.57167      13.83077 
1 1 1 -7  -10 16 o 546.545 10.811  36318.69   1433.65  36910.22   2029.26  35729.21   2025.73  550.394 15.195  541.483 15.418  8.911316       21.64733 
1 1 1 -7  -10 17 f 246.870 5.4940  7398.02    329.095  7498.28    466.920  7299.05    463.915  248.467 7.7448  245.142 7.7993  3.324966       10.99141 
1 1 1 -7  -10 18 o 445.708 8.9132  24137.61   963.932  24873.62   1365.16  23405.79   1361.26  452.127 12.444  438.547 12.793  13.58002       17.84671 
1 1 1 -7  -10 19 o 262.544 5.6815  8367.83    361.935  8691.94    513.553  8047.98    510.170  267.500 7.9122  257.390 8.1688  10.11032       11.37245 
1 1 1 -7  -10 20 o 538.228 10.602  35226.15   1384.56  35073.02   1960.23  35378.60   1955.92  536.430 15.060  538.778 14.962  -2.348083      21.22870 
1 1 1 -7  -10 21 o 378.102 7.6711  17366.26   703.769  16901.89   997.406  17826.68   993.167  372.760 11.028  382.852 10.691  -10.09222      15.35933 
1 1 1 -7  -10 22 o 167.532 4.1891  3406.50    170.288  3559.90    242.348  3256.89    239.328  171.230 5.8331  163.776 6.0225  7.453537       8.384230 
1 1 1 -7  -10 23 o 362.794 7.4957  15991.38   659.839  16147.30   935.371  15836.92   930.952  364.296 10.582  360.772 10.635  3.523529       15.00258 
1 1 1 -7  -10 24 o 627.902 12.364  48048.15   1883.78  48664.14   2666.65  47434.54   2661.50  630.515 17.430  622.437 17.622  8.078003       24.78648 
1 1 1 -7  -10 25 o 457.869 9.0066  25507.09   1000.61  25620.47   1417.61  25394.51   1412.57  458.228 12.750  456.201 12.761  2.027496       18.03907 
1 1 1 -7  -10 26 o 271.156 5.8942  8933.45    387.801  8800.29    550.548  9064.59    546.344  268.918 8.4374  272.945 8.2495  -4.026672      11.80018 
1 1 1 -7  -10 27 o 467.344 9.5118  26621.38   1078.61  27466.45   1528.08  25782.27   1522.69  473.654 13.296  458.782 13.679  14.87241       19.07582 
1 1 1 -7  -10 28 o 282.934 8.6000  9755.35    590.402  10122.69   822.261  9364.41    848.255  287.651 11.781  276.493 12.644  11.15820       17.28167 
1 1 1 -7  -10 29 o 196.341 6.6564  4690.95    317.112  5237.30    436.471  4080.15    461.502  207.242 8.6799  182.415 10.471  24.82640       13.60051 
1 1 1 -7  -10 30 o 150.703 5.7485  2761.87    210.203  3226.89    285.402  2210.54    310.759  162.785 7.2257  134.204 9.6068  28.58110       12.02082 
1 1 1 -7  -10 31 o 315.789 6.7689  12137.74   518.655  12495.88   736.670  11785.72   730.349  319.914 9.4902  310.649 9.6894  9.265320       13.56276 
1 1 1 -7  -10 32 o 139.249 3.9234  2354.97    132.560  2388.66    190.076  2323.07    184.966  140.163 5.5889  138.230 5.5148  1.933823       7.851659 
1 1 1 -7  -10 33 o 85.260  3.4958  882.668    72.319   856.369    103.256  907.990    101.320  83.785  5.1034  86.303  4.8582  -2.518600      7.046042 
1 1 1 -7  -10 34 o 284.375 6.1271  9837.53    422.777  9786.34    601.205  9887.60    594.643  283.239 8.7479  284.725 8.6073  -1.486389      12.27240 
1 1 1 -7  -10 35 o 406.088 8.2899  20108.52   816.829  20588.55   1159.16  19635.04   1151.23  409.894 11.655  400.221 11.855  9.673218       16.62450 
1 1 1 -7  -10 36 o 147.249 5.8511  2637.48    209.053  2939.10    323.386  2420.95    274.004  154.962 8.6350  140.681 8.0607  14.28152       11.81258 
1 1 1 -7  -10 37 o 126.550 5.8202  1948.41    178.716  1666.23    282.536  2136.62    230.742  116.272 10.115  132.228 7.2191  -15.95606      12.42732 
1 1 1 -7  -10 38 o 43.715  7.1909  238.982    73.621   205.900    132.249  253.837    88.623   40.765  12.324  44.874  8.4493  -4.108944      14.94244 
1 1 1 -7  -10 39 o 51.966  4.0293  330.130    50.409   362.272    72.062   299.331    70.540   54.279  5.5496  49.216  6.0334  5.063251       8.197556 
1 1 1 -7  -10 40 o 164.005 4.3646  3270.67    173.688  3156.89    247.449  3381.18    243.855  160.925 6.3372  166.581 6.0331  -5.655899      8.749807 
1 1 1 -7  -10 41 f 49.355  4.2249  298.435    50.108   318.054    66.894   273.353    75.635   50.796  5.5161  46.824  6.8606  3.971558       8.803150 
1 1 1 -7  -10 42 o 61.613  3.8872  463.563    57.815   490.645    78.389   431.259    85.614   63.243  5.1531  59.133  6.0522  4.110149       7.948831 
1 1 1 -7  -10 43 f 146.378 4.1420  2608.53    147.113  2625.64    209.551  2591.89    206.578  146.598 5.8911  145.661 5.8449  0.9373169      8.298677 
1 1 1 -7  -10 44 o 117.170 3.9424  1671.69    112.083  1642.03    158.971  1701.01    158.051  115.902 5.6528  117.985 5.5209  -2.083649      7.901529 
1 1 1 -7  -10 45 o 33.412  5.1453  139.517    40.374   115.098    52.255   175.686    63.597   29.999  7.2578  37.163  7.3132  -7.164585      10.30333 
1 1 1 -7  -10 46 o 61.828  4.4519  468.921    66.340   480.278    79.709   443.321    119.667  62.433  5.3123  59.223  8.5773  3.209389       10.08911 
1 1 1 -7  -10 47 o 64.787  4.3881  514.767    68.575   517.260    83.198   509.485    121.105  64.778  5.3408  63.663  8.0177  1.114887       9.633728 
1 1 1 -7  -10 48 o 104.787 6.5642  1357.30    166.057  1357.30    166.057  0.0000     0.0000   104.787 6.5642  ?       ?       0.000000       6.564221 
1 1 1 -7  -10 49 o 128.148 7.1179  2035.26    220.451  2035.26    220.451  0.0000     0.0000   128.148 7.1179  ?       ?       0.000000       7.117892 
1 1 1 -7  -10 50 o 63.544  4.2711  495.546    65.472   449.066    81.330   581.130    110.360  60.215  5.6319  68.291  6.7485  -8.076023      8.789794 
1 1 1 -7  -10 51 o 64.165  4.3888  505.844    67.919   470.192    85.380   567.282    112.083  61.561  5.7837  67.359  6.9580  -5.797665      9.047960 
1 1 1 -7  -10 52 o 42.265  4.6651  221.481    47.043   195.685    65.092   249.689    68.067   39.135  7.1169  44.493  6.4964  -5.357815      9.636097 
1 1 1 -7  -10 53 f 49.154  5.8676  302.304    68.598   229.775    168.038  316.808    75.144   41.936  14.036  50.221  6.3057  -8.285065      15.38774 
1 1 1 -7  -10 54 o 77.479  6.1734  748.417    115.095  757.068    218.610  745.099    135.376  75.025  12.445  76.882  7.3464  -1.856850      14.45152 
1 1 1 -7  -10 55 o 80.126  4.4022  790.554    85.258   730.631    107.338  892.982    140.335  76.595  5.8190  84.290  6.9227  -7.694466      9.043498 
1 1 1 -7  -10 56 o 48.850  6.2898  301.676    72.821   0.0000     0.0000   301.676    72.821   ?       ?       48.850  6.2898  0.000000       6.289777 
1 1 1 -7  -10 57 o 22.438  8.0526  55.692     55.756   0.0000     0.0000   55.692     55.756   ?       ?       22.438  8.0526  0.000000       8.052631 
1 1 1 -7  -10 58 o 24.478  6.6220  77.517     40.283   53.180     48.352   132.736    72.833   21.533  7.5201  31.701  9.0316  -10.16793      11.75254 
1 1 1 -7  -10 59 o 40.304  5.1749  203.952    49.438   181.337    60.851   247.868    84.796   37.472  6.9484  43.488  8.3394  -6.015594      10.85476 
1 1 1 -7  -10 60 o 13.335  5.7368  -1.7087    33.530   -11.9143   38.013   34.060     71.165   13.320  5.9079  21.909  8.7878  -8.588839      10.58907 
1 1 1 -7  -10 61 o 45.343  4.7238  256.170    51.209   246.711    63.996   273.008    85.383   44.091  6.1493  45.792  7.9744  -1.700981      10.06998 
1 1 1 -7  -10 62 o 30.639  6.2803  121.465    45.121   135.729    49.524   51.779     109.462  32.362  6.5321  26.595  10.816  5.766638       12.63553 
1 1 1 -7  -9  1  o 340.414 9.8315  14083.80   812.065  15702.33   1156.62  12510.29   1140.42  359.181 13.271  320.486 14.665  38.69424       19.77873 
1 1 1 -7  -9  2  o 502.593 14.056  30757.16   1714.17  32050.46   2431.08  29478.39   2417.39  512.181 19.562  491.070 20.288  21.11118       28.18278 
1 1 1 -7  -9  3  o 502.484 14.066  30744.54   1714.94  31547.79   2430.67  29948.37   2419.95  508.111 19.715  494.984 20.149  13.12650       28.18991 
1 1 1 -7  -9  4  o 244.047 7.5293  7233.37    445.855  7273.51    634.419  7194.20    626.720  244.592 10.690  243.258 10.618  1.333679       15.06696 
1 1 1 -7  -9  5  o 257.366 5.5261  8040.53    345.092  8247.08    492.262  7840.94    483.912  260.577 7.7857  254.077 7.8494  6.499664       11.05577 
1 1 1 -7  -9  6  o 548.547 10.819  36586.52   1439.97  36031.30   2040.90  37136.91   2031.99  543.744 15.469  552.071 15.169  -8.326965      21.66555 
1 1 1 -7  -9  7  o 403.037 8.1232  19731.80   794.397  19946.75   1127.73  19520.08   1119.21  404.975 11.477  400.617 11.514  4.357880       16.25669 
1 1 1 -7  -9  8  o 219.578 4.9465  5852.14    263.542  5716.49    376.743  5982.12    368.794  216.964 7.1564  221.956 6.8478  -4.992661      9.904875 
1 1 1 -7  -9  9  o 398.523 8.0463  19291.76   778.060  19509.01   1104.88  19078.04   1095.86  400.516 11.369  396.065 11.403  4.451447       16.10254 
1 1 1 -7  -9  10 o 544.435 10.771  36039.20   1422.91  35481.74   2014.04  36594.72   2010.55  539.596 15.383  548.034 15.120  -8.438904      21.56935 
1 1 1 -7  -9  11 o 251.249 5.3788  7662.63    327.907  7664.97    465.116  7660.32    462.358  251.218 7.6304  251.143 7.5874  0.7461548E-01  10.76064 
1 1 1 -7  -9  12 o 247.677 7.7029  7450.52    462.920  7317.36    667.323  7574.04    642.706  245.303 11.212  249.598 10.612  -4.295670      15.43764 
1 1 1 -7  -9  13 o 495.315 14.000  29872.34   1682.53  29228.45   2393.36  30501.49   2365.80  488.998 20.171  499.653 19.514  -10.65536      28.06565 
1 1 1 -7  -9  14 o 500.315 14.163  30480.28   1719.40  29564.52   2445.97  31374.83   2417.47  491.753 20.499  506.741 19.661  -14.98764      28.40399 
1 1 1 -7  -9  15 o 325.150 9.3742  12846.98   739.572  14262.55   1060.80  11508.17   1031.64  342.360 12.770  307.451 13.829  34.90906       18.82305 
1 1 1 -7  -9  16 o 774.152 15.174  73016.52   2850.28  72920.45   4032.73  73112.41   4029.08  771.997 21.529  773.027 21.481  -1.030151      30.41228 
1 1 1 -7  -9  17 o 504.468 10.061  30932.38   1231.47  31569.55   1743.40  30297.90   1739.72  509.177 14.111  498.782 14.375  10.39502       20.14358 
1 1 1 -7  -9  18 o 547.988 10.722  36510.05   1425.63  36923.14   2018.04  36098.52   2014.25  550.495 15.108  544.291 15.252  6.204102       21.46791 
1 1 1 -7  -9  19 f 414.612 8.5053  20884.50   855.650  20805.94   1211.93  20962.59   1208.22  413.539 12.078  415.101 11.996  -1.561798      17.02288 
1 1 1 -7  -9  20 f 568.326 11.389  39287.81   1570.46  39124.14   2222.94  39450.91   2219.01  566.393 16.175  568.771 16.079  -2.378052      22.80711 
1 1 1 -7  -9  21 o 725.719 14.196  64169.18   2499.70  64938.07   3537.20  63402.10   3533.02  728.523 20.010  719.789 20.229  8.734192       28.45393 
1 1 1 -7  -9  22 o 194.392 4.6113  4586.71    217.501  4604.16    308.980  4569.58    306.224  194.713 6.5399  193.981 6.5060  0.7316132      9.224892 
1 1 1 -7  -9  23 o 443.099 8.8247  23866.94   948.777  23929.22   1343.70  23805.01   1339.85  443.237 12.494  442.086 12.491  1.151489       17.66687 
1 1 1 -7  -9  24 o 217.301 5.0909  5733.04    268.424  6048.43    381.765  5424.66    377.488  223.121 7.0517  211.289 7.3631  11.83186       10.19519 
1 1 1 -7  -9  25 o 433.097 8.6899  22816.68   913.193  23069.76   1293.63  22565.30   1289.28  434.924 12.258  430.125 12.353  4.798981       17.40332 
1 1 1 -7  -9  26 o 230.487 5.2686  6452.71    294.650  6820.92    418.744  6091.62    414.682  236.844 7.2865  223.800 7.6365  13.04462       10.55506 
1 1 1 -7  -9  27 o 466.527 9.3987  26525.66   1063.92  26567.87   1507.00  26483.71   1502.24  465.828 13.333  465.096 13.312  0.7316589      18.84053 
1 1 1 -7  -9  28 o 140.264 5.4160  2391.10    184.328  2308.41    249.161  2491.06    273.960  137.503 7.4962  142.802 7.9379  -5.298904      10.91805 
1 1 1 -7  -9  29 o 211.822 6.9006  5461.04    354.665  5486.22    488.497  5432.97    515.756  212.004 9.4963  210.892 10.079  1.112411       13.84799 
1 1 1 -7  -9  30 o 210.001 6.8358  5368.07    348.319  5277.70    479.085  5469.41    507.322  207.906 9.4969  211.593 9.8814  -3.686691      13.70520 
1 1 1 -7  -9  31 o 32.710  4.8377  132.829    37.238   124.949    52.027   141.106    53.322   31.424  7.0025  33.448  6.8016  -2.024382      9.762011 
1 1 1 -7  -9  32 o 88.205  3.5205  944.693    75.345   925.090    107.354  963.722    105.772  87.095  5.1023  88.916  4.9217  -1.821693      7.089172 
1 1 1 -7  -9  33 o 31.433  5.0503  123.096    37.213   105.838    52.135   141.020    53.134   28.932  7.3977  33.441  6.7804  -4.508320      10.03491 
1 1 1 -7  -9  34 o 40.001  4.5372  196.901    43.258   203.538    61.797   190.523    60.575   40.389  6.5284  39.030  6.6337  1.359638       9.307332 
1 1 1 -7  -9  35 o 329.710 6.9724  13235.94   557.801  13318.57   792.674  13154.88   785.080  330.139 9.8954  328.112 9.8612  2.026886       13.97003 
1 1 1 -7  -9  36 o 82.249  5.4240  826.154    107.640  1060.30    182.430  701.101    133.320  92.892  8.1772  75.505  7.3710  17.38648       11.00904 
1 1 1 -7  -9  37 o 264.024 8.4729  8507.78    542.797  8267.90    799.244  8713.14    739.496  259.313 12.703  266.540 11.434  -7.227112      17.09088 
1 1 1 -7  -9  38 o 105.899 6.0601  1369.58    155.069  1064.04    239.822  1589.10    203.282  92.530  10.890  113.925 7.3938  -21.39489      13.16294 
1 1 1 -7  -9  39 o 148.186 4.1937  2669.01    150.790  2692.77    213.865  2645.52    212.640  148.708 5.9271  147.396 5.9456  1.312088       8.395251 
1 1 1 -7  -9  40 o 116.158 3.8152  1639.89    107.530  1566.42    152.266  1712.99    151.876  113.414 5.5331  118.622 5.2767  -5.207756      7.645854 
1 1 1 -7  -9  41 o 27.001  6.2523  92.511     40.155   77.125     52.531   114.138    62.281   25.158  7.7982  30.058  8.2768  -4.900059      11.37181 
1 1 1 -7  -9  42 o 115.183 3.8352  1613.76    107.186  1538.60    151.087  1689.91    152.086  112.310 5.5443  117.728 5.3241  -5.417732      7.686699 
1 1 1 -7  -9  43 o 232.442 5.4312  6595.27    306.318  6583.51    438.182  6606.50    428.382  231.482 7.8014  231.956 7.6114  -0.4738312     10.89932 
1 1 1 -7  -9  44 o 15.930  6.1494  20.175     33.691   10.217     42.234   37.600     55.868   16.221  6.6715  20.865  7.9525  -4.643642      10.38032 
1 1 1 -7  -9  45 o 30.101  5.5010  114.244    38.697   65.425     52.566   172.000    57.176   23.618  7.8493  36.886  6.6321  -13.26765      10.27601 
1 1 1 -7  -9  46 o 132.375 4.6923  2140.31    150.714  2082.54    184.318  2256.87    261.807  130.339 5.8281  134.832 8.0390  -4.493622      9.929381 
1 1 1 -7  -9  47 o 72.852  6.1389  656.420    107.505  656.420    107.505  0.0000     0.0000   72.852  6.1389  ?       ?       0.000000       6.138909 
1 1 1 -7  -9  48 o 89.428  6.3526  988.759    136.949  988.759    136.949  0.0000     0.0000   89.428  6.3526  ?       ?       0.000000       6.352641 
1 1 1 -7  -9  49 o 81.823  4.8930  822.267    96.697   835.454    123.221  801.130    156.008  82.172  6.2264  79.899  8.1617  2.272552       10.26554 
1 1 1 -7  -9  50 f 22.809  6.7703  65.192     40.182   82.537     49.812   32.879     67.988   25.571  7.5245  21.725  8.6307  3.846684       11.45017 
1 1 1 -7  -9  51 o 67.155  3.9002  552.536    63.279   559.332    88.895   545.554    90.096   67.249  5.4959  66.374  5.6480  0.8745956      7.880672 
1 1 1 -7  -9  52 o 24.876  6.3492  79.409     38.452   12.449     51.566   163.281    57.711   17.787  7.3495  35.710  6.9103  -17.92352      10.08798 
1 1 1 -7  -9  53 o 40.824  8.1863  216.104    78.268   64.471     220.744  237.908    83.706   35.538  14.981  42.833  8.3541  -7.295193      17.15306 
1 1 1 -7  -9  54 o 44.294  7.9314  253.330    82.113   61.081     229.498  281.554    87.934   35.693  15.172  46.715  8.0482  -11.02205      17.17479 
1 1 1 -7  -9  55 o 101.957 5.7522  1291.34    141.721  0.0000     0.0000   1291.34    141.721  ?       ?       101.957 5.7522  0.000000       5.752157 
1 1 1 -7  -9  56 o 64.709  5.8227  523.620    90.444   0.0000     0.0000   523.620    90.444   ?       ?       64.709  5.8227  0.000000       5.822683 
1 1 1 -7  -9  57 o 32.031  5.3930  130.293    40.425   114.019    53.247   152.435    62.110   29.521  7.4371  34.108  7.6887  -4.586815      10.69699 
1 1 1 -7  -9  58 o 29.556  6.0337  112.451    41.806   151.192    49.897   21.199     76.580   34.340  6.2172  21.527  8.9307  12.81297       10.88173 
1 1 1 -7  -9  59 o 69.200  4.2129  590.342    70.401   621.049    92.617   548.319    108.348  70.613  5.4477  65.810  6.8872  4.802589       8.781304 
1 1 1 -7  -9  60 o 71.407  4.2532  628.737    73.357   533.696    97.612   752.074    111.196  65.147  6.2519  77.545  5.9553  -12.39870      8.634315 
1 1 1 -7  -9  61 o 66.426  5.0382  548.509    80.600   519.475    95.163   622.201    151.608  64.246  6.1809  68.902  9.3065  -4.655869      11.17200 
1 1 1 -7  -9  62 o 17.999  6.5329  34.308     36.828   29.366     39.579   66.201     100.546  17.702  6.7063  26.835  10.548  -9.133116      12.49931 
1 1 1 -7  -8  1  o 261.133 8.0289  8282.69    508.724  7918.73    725.888  8634.00    713.170  255.161 11.724  266.474 11.030  -11.31337      16.09725 
1 1 1 -7  -8  2  o 244.643 7.5888  7268.79    450.472  6942.58    641.931  7585.28    632.304  238.947 11.072  249.794 10.432  -10.84703      15.21249 
1 1 1 -7  -8  3  f 283.490 8.4507  9763.08    581.294  10226.05   825.857  9308.51    818.342  289.954 11.738  276.612 12.193  13.34177       16.92494 
1 1 1 -7  -8  4  o 126.454 4.9621  1940.90    152.252  2111.40    217.660  1777.55    213.048  131.687 6.8354  120.763 7.3051  10.92454       10.00439 
1 1 1 -7  -8  5  o 220.944 6.9479  5927.83    372.477  6795.64    528.437  5070.95    525.102  236.482 9.2094  203.949 10.648  32.53297       14.07806 
1 1 1 -7  -8  6  o 174.487 4.2994  3695.01    182.027  2901.10    261.221  4444.40    253.791  154.566 6.9651  191.344 5.4663  -36.77859      8.854047 
1 1 1 -7  -8  7  o 78.278  3.0295  743.525    57.542   913.987    84.121   593.623    78.884   86.783  3.9949  69.778  4.6864  17.00522       6.157999 
1 1 1 -7  -8  8  o 79.003  3.0044  757.359    57.593   672.243    82.008   840.190    80.901   74.283  4.5722  83.206  4.0071  -8.923248      6.079612 
1 1 1 -7  -8  9  o 178.569 4.3305  3869.90    187.632  4022.54    266.402  3719.64    264.315  182.026 6.0317  175.034 6.2235  6.991516       8.666812 
1 1 1 -7  -8  10 o 200.122 4.5337  4860.61    220.145  4760.76    312.422  4959.09    310.253  198.014 6.5025  202.101 6.3268  -4.086792      9.072523 
1 1 1 -7  -8  11 o 114.672 3.3946  1595.66    94.453   1543.32    134.149  1647.12    133.010  112.762 4.9030  116.494 4.7056  -3.732452      6.795744 
1 1 1 -7  -8  12 o 268.741 8.1947  8772.95    534.357  8823.39    769.392  8725.94    742.705  269.333 11.773  267.862 11.427  1.471527       16.40698 
1 1 1 -7  -8  13 o 251.937 7.8878  7709.31    482.183  7265.81    696.018  8118.60    668.626  244.413 11.736  258.415 10.664  -14.00261      15.85725 
1 1 1 -7  -8  14 o 275.686 8.4828  9232.85    567.436  8628.46    817.046  9795.96    788.658  266.297 12.645  283.816 11.452  -17.51901      17.06011 
1 1 1 -7  -8  15 o 439.413 12.379  23490.31   1319.84  24473.24   1882.33  22539.67   1851.14  447.917 17.319  429.800 17.750  18.11719       24.80000 
1 1 1 -7  -8  16 o 364.748 7.4198  16156.72   656.674  16175.06   930.086  16138.49   927.273  364.771 10.508  364.360 10.488  0.4111633      14.84709 
1 1 1 -7  -8  17 o 281.208 6.0250  9600.10    411.099  9587.73    582.661  9612.37    580.112  280.932 8.5477  281.295 8.4994  -0.3629761     12.05416 
1 1 1 -7  -8  18 o 370.343 7.5349  16657.05   677.086  16691.80   958.874  16622.48   956.219  370.534 10.665  369.764 10.658  0.7696228      15.07768 
1 1 1 -7  -8  19 o 834.647 16.449  84950.61   3331.25  85074.04   4712.56  84827.34   4709.63  833.107 23.313  831.891 23.332  1.215942       32.98291 
1 1 1 -7  -8  20 o 286.935 6.0563  9995.74    421.649  9755.88    597.540  10233.63   595.073  283.362 8.6908  290.229 8.4502  -6.867157      12.12169 
1 1 1 -7  -8  21 o 369.039 7.5097  16542.15   672.445  16640.77   952.437  16444.13   949.532  369.920 10.611  367.725 10.642  2.194672       15.02828 
1 1 1 -7  -8  22 o 394.423 7.9807  18901.08   763.774  18808.31   1081.56  18993.36   1078.73  393.165 11.337  395.103 11.252  -1.937927      15.97333 
1 1 1 -7  -8  23 o 447.029 8.9178  24292.83   967.291  24118.49   1369.51  24466.38   1366.41  444.966 12.685  448.180 12.565  -3.214722      17.85433 
1 1 1 -7  -8  24 o 255.146 5.6109  7905.15    347.367  7860.68    492.712  7949.10    489.804  254.308 7.9849  255.740 7.8933  -1.431732      11.22779 
1 1 1 -7  -8  25 o 273.690 5.8012  9098.43    385.246  9572.50    546.463  8630.01    543.192  280.578 8.0268  266.378 8.4041  14.19943       11.62147 
1 1 1 -7  -8  26 o 528.823 10.411  34086.64   1335.88  34801.95   1891.19  33374.31   1887.25  533.136 14.620  521.994 14.900  11.14233       20.87470 
1 1 1 -7  -8  27 o 539.352 10.654  35501.48   1394.26  35715.53   1973.84  35288.34   1969.73  539.382 15.082  536.122 15.142  3.260498       21.37135 
1 1 1 -7  -8  28 o 491.276 13.763  29619.96   1640.63  28089.61   2304.25  31193.45   2336.50  475.416 19.975  501.446 19.203  -26.03076      27.70880 
1 1 1 -7  -8  29 o 291.952 9.0335  10398.26   639.927  11636.94   890.124  9073.21    920.633  308.227 11.902  271.313 14.033  36.91370       18.40027 
1 1 1 -7  -8  30 o 244.636 7.4995  7289.42    445.164  6520.37    614.244  8140.24    646.074  230.854 10.966  258.065 10.318  -27.21109      15.05678 
1 1 1 -7  -8  31 o 176.906 4.4036  3801.91    189.024  3681.16    269.070  3919.57    265.605  173.947 6.3751  179.512 6.0979  -5.565964      8.821872 
1 1 1 -7  -8  32 o 59.523  3.6989  431.899    53.158   391.327    75.998   470.765    74.382   56.455  5.6228  62.040  4.9832  -5.585613      7.513236 
1 1 1 -7  -8  33 o 182.386 4.5534  4041.49    201.508  4030.21    287.325  4052.40    282.683  181.995 6.5065  182.505 6.3835  -0.5102386     9.115072 
1 1 1 -7  -8  34 o 167.845 4.3089  3422.34    175.486  3487.93    249.866  3358.51    246.516  169.335 6.0813  166.161 6.1144  3.173676       8.623689 
1 1 1 -7  -8  35 o 195.036 4.7958  4622.76    226.953  4645.05    322.535  4600.90    319.408  195.338 6.8050  194.410 6.7712  0.9273529      9.599800 
1 1 1 -7  -8  36 o 151.738 6.3961  2802.24    235.489  2355.97    357.509  3144.27    312.979  138.327 10.736  160.381 8.0684  -22.05396      13.42965 
1 1 1 -7  -8  37 o 194.386 6.4986  4600.60    306.513  6138.71    463.944  3409.25    408.314  224.254 8.5263  166.609 10.149  57.64534       13.25494 
1 1 1 -7  -8  38 o 113.836 5.9624  1581.70    164.117  1572.94    255.265  1587.87    214.272  113.016 9.3938  113.814 7.8062  -0.7983170     12.21390 
1 1 1 -7  -8  39 o 267.183 5.8669  8692.88    380.351  8479.17    542.225  8899.90    533.671  263.346 8.4857  269.882 8.1496  -6.535309      11.76535 
1 1 1 -7  -8  40 o 171.518 4.4056  3577.98    183.349  3468.66    261.035  3684.45    257.589  168.647 6.3791  173.852 6.1064  -5.204666      8.830650 
1 1 1 -7  -8  41 o 66.907  3.9236  546.249    63.419   590.465    87.823   498.065    91.678   69.420  5.2527  63.617  6.0104  5.802788       7.982202 
1 1 1 -7  -8  42 o 116.428 3.8128  1648.96    107.712  1557.24    153.473  1737.99    151.207  112.969 5.5990  119.390 5.2196  -6.421097      7.654610 
1 1 1 -7  -8  43 o 135.560 4.0965  2237.56    134.744  2261.49    193.587  2215.07    187.665  136.024 5.8654  134.641 5.7444  1.382660       8.209775 
1 1 1 -7  -8  44 o 120.824 3.8892  1777.81    114.018  1732.56    163.561  1820.57    159.026  119.025 5.6634  122.060 5.3695  -3.034920      7.804183 
1 1 1 -7  -8  45 o 78.578  3.6852  751.973    70.263   672.066    98.731   833.972    100.015  73.904  5.5463  82.466  5.0223  -8.562225      7.482273 
1 1 1 -7  -8  46 o 108.905 3.8369  1445.53    101.390  1459.44    145.750  1432.49    141.135  109.023 5.5278  108.174 5.3771  0.8491287      7.711665 
1 1 1 -7  -8  47 o 97.760  5.4450  1174.55    128.646  1174.55    128.646  0.0000     0.0000   97.760  5.4450  ?       ?       0.000000       5.445021 
1 1 1 -7  -8  48 o 81.407  6.2230  819.565    121.991  819.565    121.991  0.0000     0.0000   81.407  6.2230  ?       ?       0.000000       6.223024 
1 1 1 -7  -8  49 o 34.969  5.9155  154.274    48.402   181.259    58.779   97.436     85.306   37.812  6.6494  28.983  9.9962  8.829205       12.00574 
1 1 1 -7  -8  50 o 55.740  4.0277  381.335    54.107   432.918    76.639   330.074    76.400   59.153  5.3991  51.397  6.2552  7.756367       8.263021 
1 1 1 -7  -8  51 o 106.173 3.9669  1377.08    102.196  1439.98    148.303  1320.21    141.026  108.040 5.6771  103.448 5.6397  4.591690       8.002219 
1 1 1 -7  -8  52 o 52.207  4.2374  335.702    53.215   330.180    74.435   341.474    76.108   51.366  6.0909  52.241  6.1201  -0.8754349     8.634522 
1 1 1 -7  -8  53 o 54.509  7.3151  376.829    94.308   694.252    236.363  316.728    102.850  70.922  14.230  49.380  8.9118  21.54160       16.79034 
1 1 1 -7  -8  54 o 18.588  7.8245  8.1961     60.074   29.849     177.671  5.4011     63.834   31.092  13.286  18.892  8.0149  12.20002       15.51640 
1 1 1 -7  -8  55 o 44.793  6.8531  255.965    72.115   0.0000     0.0000   255.965    72.115   ?       ?       44.793  6.8531  0.000000       6.853120 
1 1 1 -7  -8  56 o 38.124  5.3163  182.997    47.840   176.980    68.780   188.636    66.585   36.756  7.9439  38.110  7.4678  -1.354233      10.90289 
1 1 1 -7  -8  57 o 22.122  6.2099  62.733     34.698   55.891     42.973   75.547     58.814   21.490  7.0949  24.874  8.3042  -3.384537      10.92229 
1 1 1 -7  -8  58 o 31.527  5.4773  126.467    40.379   148.358    51.716   92.282     64.627   33.935  6.5176  27.039  8.6855  6.896809       10.85896 
1 1 1 -7  -8  59 o 17.509  6.3408  32.200     34.666   19.878     39.158   76.856     74.544   16.588  6.5626  25.988  9.3127  -9.400875      11.39271 
1 1 1 -7  -8  60 o 15.531  6.0686  18.815     33.119   20.716     37.080   11.317     73.644   16.366  6.4140  20.484  8.6451  -4.118225      10.76462 
1 1 1 -7  -8  61 o 23.285  6.7417  69.645     40.276   75.124     43.623   37.987     104.853  24.156  7.0226  25.396  10.486  -1.239431      12.62016 
1 1 1 -7  -7  1  o 446.820 8.9756  24257.46   973.103  23369.06   1382.03  25130.96   1370.39  438.205 12.998  454.485 12.427  -16.27969      17.98264 
1 1 1 -7  -7  2  o 239.262 7.4043  6952.25    429.857  6898.42    611.169  7004.94    604.702  238.207 10.574  240.048 10.382  -1.841064      14.81875 
1 1 1 -7  -7  3  o 978.133 26.982  117672.30  6403.69  118951.70  9058.66  116394.40  9053.71  976.774 38.221  965.939 38.629  10.83527       54.34210 
1 1 1 -7  -7  4  o 434.285 12.285  22947.70   1294.49  23921.96   1831.67  21975.55   1829.69  442.817 17.047  424.318 17.771  18.49911       24.62598 
1 1 1 -7  -7  5  o 164.256 5.7547  3275.32    229.356  3890.98    324.960  2664.21    323.761  178.989 7.4824  147.795 9.0721  31.19482       11.75961 
1 1 1 -7  -7  6  f 762.776 14.808  70889.73   2740.59  69006.71   3877.55  72769.30   3874.00  750.873 21.283  771.254 20.701  -20.38135      29.69005 
1 1 1 -7  -7  7  o 823.540 15.982  82692.98   3193.52  81465.96   4518.06  83918.13   4514.59  815.297 22.839  827.606 22.482  -12.30908      32.04743 
1 1 1 -7  -7  8  o 748.992 14.505  68338.81   2636.02  67876.82   3729.43  68800.07   3726.38  744.898 20.634  749.994 20.477  -5.095764      29.06998 
1 1 1 -7  -7  9  o 122.002 4.3775  1806.47    129.587  1274.65    218.113  2096.62    161.103  102.037 8.8988  131.427 5.0519  -29.39036      10.23277 
1 1 1 -7  -7  10 o 409.330 8.0867  20352.81   803.175  20405.13   1137.17  20300.73   1134.56  409.599 11.442  408.549 11.445  1.049438       16.18361 
1 1 1 -7  -7  11 o 976.346 18.939  116432.60  4486.59  113553.50  6346.32  119309.20  6343.68  960.757 27.224  985.143 26.539  -24.38574      38.01863 
1 1 1 -7  -7  12 o 266.935 8.1331  8655.29    526.779  8857.59    759.240  8467.50    731.491  269.866 11.595  263.866 11.425  5.999878       16.27809 
1 1 1 -7  -7  13 o 460.081 13.142  25762.14   1467.14  24797.88   2090.28  26698.45   2059.76  450.591 19.119  467.694 18.151  -17.10291      26.36227 
1 1 1 -7  -7  14 o 392.285 11.372  18713.59   1082.48  18058.99   1546.28  19342.72   1515.89  384.857 16.559  398.403 15.681  -13.54599      22.80543 
1 1 1 -7  -7  15 o 252.756 7.8266  7759.18    479.994  7868.33    693.741  7658.95    664.812  254.378 11.240  250.987 10.916  3.391113       15.66844 
1 1 1 -7  -7  16 o 428.854 8.7392  22343.39   909.375  21698.86   1286.96  22986.11   1285.15  422.314 12.559  434.696 12.184  -12.38232      17.49840 
1 1 1 -7  -7  17 o 729.344 14.294  64774.11   2529.66  64331.45   3578.51  65216.25   3576.44  725.483 20.329  730.495 20.178  -5.012207      28.64255 
1 1 1 -7  -7  18 o 495.290 9.7228  29812.90   1168.46  30132.33   1653.52  29494.30   1651.39  497.513 13.698  492.201 13.827  5.311462       19.46332 
1 1 1 -7  -7  19 o 908.630 17.721  100754.80  3906.95  99999.30   5526.38  101509.60  5524.15  902.497 25.237  909.372 25.036  -6.874939      35.54816 
1 1 1 -7  -7  20 o 382.026 7.9402  17727.84   736.013  18361.09   1042.08  17097.50   1039.68  388.564 11.053  374.925 11.429  13.63956       15.89901 
1 1 1 -7  -7  21 o 569.648 11.161  39470.50   1542.62  39562.75   2182.86  39378.46   2180.34  569.575 15.795  568.243 15.813  1.331482       22.35035 
1 1 1 -7  -7  22 o 196.341 4.6321  4679.14    220.676  4585.34    313.253  4771.55    310.927  194.313 6.6440  198.225 6.4645  -3.911560      9.270000 
1 1 1 -7  -7  23 o 474.930 9.3713  27425.91   1079.93  27612.78   1528.68  27239.74   1525.82  476.019 13.235  472.782 13.301  3.236786       18.76379 
1 1 1 -7  -7  24 o 440.196 8.9846  23564.57   959.644  23189.35   1358.61  23938.19   1355.68  436.138 12.838  443.162 12.608  -7.024231      17.99364 
1 1 1 -7  -7  25 o 441.592 8.7988  23724.01   942.776  23735.05   1334.94  23713.03   1331.64  441.074 12.473  440.874 12.448  0.1996765      17.62230 
1 1 1 -7  -7  26 o 344.262 7.0759  14410.21   591.061  14629.49   837.450  14192.55   834.333  346.497 9.9608  341.266 10.076  5.230896       14.16830 
1 1 1 -7  -7  27 o 220.502 5.0926  5906.92    272.468  5962.17    386.852  5852.52    383.821  221.378 7.2019  219.332 7.2121  2.045929       10.19224 
1 1 1 -7  -7  28 o 242.891 7.3831  7181.69    435.126  6046.09    599.901  8442.39    632.081  222.387 11.117  262.994 9.9052  -40.60725      14.88997 
1 1 1 -7  -7  29 o 279.138 8.6151  9500.97    583.500  10065.64   809.230  8889.44    842.140  286.718 11.632  269.164 12.894  17.55420       17.36579 
1 1 1 -7  -7  30 o 86.439  4.8318  910.772    100.936  805.785    131.502  1061.32    157.471  81.091  6.7446  93.109  7.0219  -12.01821      9.736294 
1 1 1 -7  -7  31 o 83.496  3.5733  846.525    72.393   830.057    103.845  862.095    100.973  82.475  5.2161  84.079  4.9715  -1.604454      7.205780 
1 1 1 -7  -7  32 o 156.787 4.1360  2985.82    157.347  3016.02    224.405  2956.60    220.688  157.485 5.8726  155.928 5.8330  1.556610       8.277110 
1 1 1 -7  -7  33 o 104.450 3.6548  1324.80    92.625   1242.11    132.423  1404.00    129.606  100.936 5.4269  107.484 4.9695  -6.547951      7.358472 
1 1 1 -7  -7  34 o 137.032 4.0750  2280.83    135.492  2199.14    191.551  2362.63    191.678  134.471 5.8707  139.391 5.6673  -4.920685      8.159856 
1 1 1 -7  -7  35 o 123.745 3.8804  1859.85    116.513  1724.78    164.172  1996.93    165.384  119.091 5.6814  128.162 5.3183  -9.070602      7.782168 
1 1 1 -7  -7  36 o 176.336 6.6930  3785.74    286.368  3627.60    431.765  3909.93    382.641  171.879 10.402  178.974 8.8113  -7.094925      13.63222 
1 1 1 -7  -7  37 f 207.831 7.3053  5264.40    368.392  5132.86    552.741  5369.52    494.140  204.292 11.193  209.526 9.7196  -5.234238      14.82438 
1 1 1 -7  -7  38 o 114.843 6.0448  1610.16    167.850  1495.05    261.878  1690.43    218.672  110.053 9.9133  117.453 7.7159  -7.399864      12.56219 
1 1 1 -7  -7  39 o 178.307 4.5656  3866.21    197.530  3650.25    281.563  4075.51    277.188  173.021 6.7068  182.883 6.2465  -9.861938      9.165122 
1 1 1 -7  -7  40 o 104.810 3.7026  1335.19    94.161   1386.53    135.100  1286.69    131.308  106.709 5.2178  102.655 5.2896  4.053574       7.430076 
1 1 1 -7  -7  41 o 155.964 4.2769  2959.83    161.852  2918.62    232.222  2998.75    225.704  154.625 6.1896  156.772 5.9334  -2.147461      8.574181 
1 1 1 -7  -7  42 o 199.449 4.8305  4847.83    233.772  4912.80    334.838  4786.06    326.526  200.318 6.8889  197.739 6.8055  2.579330       9.683586 
1 1 1 -7  -7  43 o 47.271  4.1575  274.234    47.201   259.205    65.141   290.846    68.488   45.650  6.0286  48.413  5.9559  -2.763680      8.474418 
1 1 1 -7  -7  44 o 112.739 3.8248  1547.85    104.629  1562.92    149.287  1533.31    146.683  113.068 5.4415  111.998 5.3977  1.069633       7.664507 
1 1 1 -7  -7  45 o 49.783  4.8122  305.471    57.403   310.052    68.993   295.168    103.477  49.984  5.7962  47.976  9.2240  2.007549       10.89398 
1 1 1 -7  -7  46 o 54.544  5.6865  368.477    74.151   368.477    74.151   0.0000     0.0000   54.544  5.6865  ?       ?       0.000000       5.686502 
1 1 1 -7  -7  47 o 87.142  6.3080  938.421    132.475  938.421    132.475  0.0000     0.0000   87.142  6.3080  ?       ?       0.000000       6.307971 
1 1 1 -7  -7  48 o 96.966  5.0086  1153.90    117.439  1169.64    150.809  1129.65    187.196  97.271  6.4259  95.035  8.1983  2.236069       10.41651 
1 1 1 -7  -7  49 o 48.127  5.3738  287.482    61.681   274.172    75.280   314.667    107.590  46.655  6.8543  49.379  9.3215  -2.723667      11.57025 
1 1 1 -7  -7  50 o 42.579  4.6574  224.479    47.332   314.446    64.728   121.079    69.392   50.335  5.3832  30.726  8.8355  19.60927       10.34621 
1 1 1 -7  -7  51 o 123.199 4.0977  1855.40    122.493  1879.16    177.801  1833.94    168.998  123.476 5.9345  122.053 5.7065  1.422668       8.233005 
1 1 1 -7  -7  52 o 95.320  3.9973  1111.14    92.451   1124.15    133.529  1099.16    128.128  95.290  5.8028  94.277  5.6268  1.012543       8.082867 
1 1 1 -7  -7  53 o 9.7653  4.8657  -117.7954  46.088   -14.5165   161.919  -126.9002  48.076   28.109  12.341  9.8561  4.9203  18.25259       13.28587 
1 1 1 -7  -7  54 o 29.549  9.3481  111.063    75.084   0.0000     0.0000   111.063    75.084   ?       ?       29.549  9.3481  0.000000       9.348065 
1 1 1 -7  -7  55 o 45.117  7.0143  260.319    74.293   0.0000     0.0000   260.319    74.293   ?       ?       45.117  7.0143  0.000000       7.014305 
1 1 1 -7  -7  56 o 60.089  4.3576  446.048    63.103   446.546    90.584   445.578    87.955   59.527  6.3704  59.526  6.1797  0.1243591E-02  8.875232 
1 1 1 -7  -7  57 o 45.223  5.0029  255.394    53.977   210.526    78.374   295.878    74.447   40.019  8.3418  48.269  6.5236  -8.250065      10.58975 
1 1 1 -7  -7  58 o 46.705  4.7543  271.470    53.128   234.445    73.453   312.091    76.937   42.614  7.3705  49.589  6.5549  -6.974819      9.863626 
1 1 1 -7  -7  59 o 60.905  4.4542  458.595    65.368   398.271    84.487   548.560    103.177  56.199  6.3045  65.973  6.5312  -9.774376      9.077672 
1 1 1 -7  -7  60 o 38.136  5.3675  183.430    48.293   147.594    58.271   262.030    86.298   33.617  7.3488  44.761  8.2496  -11.14412      11.04812 
1 1 1 -7  -7  61 o 72.633  5.0926  656.145    89.182   639.994    105.846  695.672    165.585  71.319  6.1775  72.615  9.6359  -1.295670      11.44602 
1 1 1 -7  -6  1  f 310.570 6.4627  11710.96   487.009  12259.17   694.585  11180.85   683.030  317.639 9.0121  303.334 9.2801  14.30527       12.93596 
1 1 1 -7  -6  2  o 1231.86 34.161  188189.50  10210.64 189196.20  14441.34 187183.20  14438.73 1221.49 48.725  1214.69 48.989  6.801025       69.09443 
1 1 1 -7  -6  3  o 323.140 9.4700  12690.22   742.517  12401.13   1050.50  12978.84   1049.65  319.147 13.566  326.523 13.249  -7.376068      18.96187 
1 1 1 -7  -6  4  o 347.401 9.9925  14670.56   842.302  14305.60   1183.02  15045.78   1199.54  342.708 14.227  351.478 14.065  -8.769867      20.00588 
1 1 1 -7  -6  5  o 275.927 8.1781  9249.11    547.531  8620.72    765.512  9907.30    783.450  266.195 11.852  285.403 11.313  -19.20859      16.38470 
1 1 1 -7  -6  6  o 245.421 6.1133  7312.77    364.043  6882.42    622.689  7536.25    448.717  237.903 10.787  249.099 7.4240  -11.19612      13.09497 
1 1 1 -7  -6  7  o 253.433 5.4363  7796.80    334.295  7524.54    473.723  8066.86    471.810  248.889 7.8443  257.715 7.5451  -8.824951      10.88400 
1 1 1 -7  -6  8  o 284.462 5.9948  9824.08    413.776  9712.30    585.925  9935.28    584.411  282.735 8.5408  285.968 8.4224  -3.232910      11.99511 
1 1 1 -7  -6  9  o 351.984 7.2120  15046.10   615.950  14395.71   871.743  15694.53   870.429  344.100 10.441  359.321 9.9836  -15.22052      14.44593 
1 1 1 -7  -6  10 o 321.716 6.7483  12567.87   526.782  12624.15   745.593  12511.77   744.372  322.294 9.5342  320.855 9.5613  1.439362       13.50260 
1 1 1 -7  -6  11 f 1226.49 23.723  184452.41  7060.01  184633.59  9985.08  184271.20  9983.63  1220.53 33.716  1219.30 33.745  1.220825       47.70255 
1 1 1 -7  -6  12 o 306.538 8.9987  11417.16   669.309  12317.25   961.160  10569.81   932.579  318.173 12.450  294.699 13.042  23.47375       18.03037 
1 1 1 -7  -6  13 f 170.293 6.0765  3520.63    251.080  3275.30    368.901  3732.36    342.706  163.914 9.3138  175.294 8.0573  -11.37993      12.31534 
1 1 1 -7  -6  14 o 445.033 12.790  24099.20   1381.10  22860.63   1968.61  25299.68   1938.10  432.712 18.750  455.391 17.540  -22.67850      25.67495 
1 1 1 -7  -6  15 o 559.411 15.719  38134.46   2133.68  37382.32   3033.41  38871.00   3001.79  552.562 22.625  563.607 21.950  -11.04572      31.52300 
1 1 1 -7  -6  16 o 484.046 9.4722  28470.97   1112.50  29102.41   1574.01  27840.65   1572.62  489.008 13.266  478.257 13.552  10.75089       18.96385 
1 1 1 -7  -6  17 o 266.111 5.7553  8596.45    371.619  8260.27    526.261  8930.80    524.839  260.772 8.3172  271.163 7.9769  -10.39108      11.52413 
1 1 1 -7  -6  18 o 709.348 13.964  61261.98   2403.49  61919.58   3399.89  60605.03   3398.20  711.905 19.682  704.256 19.886  7.648682       27.97968 
1 1 1 -7  -6  19 o 1035.79 20.383  131169.59  5122.71  129028.60  7245.53  133309.50  7243.68  1023.16 29.185  1040.27 28.698  -17.10449      40.93088 
1 1 1 -7  -6  20 o 371.407 7.7708  16755.06   700.292  17343.78   991.270  16168.49   989.458  377.667 10.817  364.618 11.184  13.04929       15.55940 
1 1 1 -7  -6  21 o 178.629 4.9240  3873.08    213.421  3585.22    360.186  4028.84    264.939  171.552 8.6812  182.163 5.9941  -10.61089      10.54954 
1 1 1 -7  -6  22 o 457.235 9.1681  25412.36   1017.14  25145.10   1439.60  25678.76   1437.31  454.378 13.058  459.196 12.900  -4.817688      18.35509 
1 1 1 -7  -6  23 o 247.712 5.4821  7450.11    329.502  7327.23    467.135  7571.79    464.845  245.561 7.8401  249.634 7.6743  -4.072723      10.97096 
1 1 1 -7  -6  24 o 257.130 5.6446  8028.97    352.171  7978.97    499.394  8078.43    496.707  256.202 8.0334  257.800 7.9406  -1.597687      11.29548 
1 1 1 -7  -6  25 o 274.479 6.0016  9152.38    399.704  9073.10    566.818  9230.79    563.727  273.099 8.5538  275.473 8.4339  -2.373383      12.01240 
1 1 1 -7  -6  26 o 273.182 5.9352  9068.53    393.416  8861.94    558.054  9272.65    554.710  269.822 8.5238  276.029 8.2822  -6.207184      11.88489 
1 1 1 -7  -6  27 o 194.042 4.7331  4573.65    222.848  4616.34    317.081  4531.98    313.264  194.825 6.7075  193.038 6.6881  1.787079       9.472157 
1 1 1 -7  -6  28 o 308.304 9.0594  11591.91   677.710  10702.62   941.551  12547.94   976.243  295.398 13.136  319.997 12.573  -24.59955      18.18374 
1 1 1 -7  -6  29 o 481.950 13.752  28545.88   1608.15  28651.52   2256.18  28436.79   2292.79  479.818 19.379  477.767 19.778  2.051270       27.68970 
1 1 1 -7  -6  30 o 336.817 9.8266  13854.63   803.088  13172.91   1117.94  14581.57   1154.42  327.293 14.077  344.434 13.813  -17.14142      19.72235 
1 1 1 -7  -6  31 o 266.731 5.8350  8651.31    377.637  8675.21    536.875  8627.91    531.287  266.785 8.2937  266.067 8.2295  0.7186890      11.68376 
1 1 1 -7  -6  32 o 109.597 3.7635  1458.64    100.083  1535.39    142.814  1384.58    140.296  112.393 5.2368  106.584 5.4430  5.808800       7.553209 
1 1 1 -7  -6  33 o 149.340 4.1718  2709.02    151.171  2598.84    213.679  2819.42    213.898  146.177 6.0245  152.268 5.7894  -6.091858      8.355322 
1 1 1 -7  -6  34 o 185.691 4.7267  4189.94    212.969  4017.63    302.541  4359.20    299.845  181.672 6.8633  189.267 6.5292  -7.595306      9.472838 
1 1 1 -7  -6  35 o 426.674 10.182  22258.06   1054.13  22250.89   1860.11  22261.46   1279.40  423.085 18.120  425.922 12.380  -2.836304      21.94486 
1 1 1 -7  -6  36 o 240.286 7.9883  7040.63    465.745  6772.96    692.123  7262.15    629.630  234.571 12.202  243.553 10.654  -8.981506      16.19923 
1 1 1 -7  -6  37 o 156.511 6.1049  2981.64    231.838  3480.53    363.812  2640.52    300.831  168.553 8.9275  146.822 8.4805  21.73068       12.31331 
1 1 1 -7  -6  38 o 116.980 4.4569  1663.49    126.504  1628.07    158.829  1724.96    209.214  115.657 5.6597  118.702 7.2993  -3.045113      9.236429 
1 1 1 -7  -6  39 o 382.545 9.0759  17927.13   842.431  17265.09   1440.20  18271.48   1038.66  371.674 15.970  385.276 11.111  -13.60126      19.45447 
1 1 1 -7  -6  40 o 50.880  4.1461  316.922    50.741   371.750    70.584   258.285    72.995   54.985  5.3587  45.496  6.8226  9.488499       8.675466 
1 1 1 -7  -6  41 o 39.244  4.6804  190.180    43.688   171.518    60.552   210.442    63.096   36.844  7.0297  40.997  6.5643  -4.152939      9.618025 
1 1 1 -7  -6  42 o 198.716 4.8886  4813.87    235.712  4833.93    337.084  4794.67    329.733  198.629 6.9941  197.856 6.8683  0.7737732      9.802599 
1 1 1 -7  -6  43 o 23.913  6.0101  72.689     34.832   77.877     47.120   66.438     51.721   24.957  7.3111  23.712  7.7814  1.244671       10.67721 
1 1 1 -7  -6  44 o 53.314  3.9443  348.153    50.662   379.089    72.635   318.845    70.699   55.413  5.4738  50.704  5.8540  4.708138       8.014525 
1 1 1 -7  -6  45 o 117.981 5.6526  1704.90    161.816  1704.90    161.816  0.0000     0.0000   117.981 5.6526  ?       ?       0.000000       5.652569 
1 1 1 -7  -6  46 o 80.082  5.6270  789.811    108.644  789.811    108.644  0.0000     0.0000   80.082  5.6270  ?       ?       0.000000       5.626960 
1 1 1 -7  -6  47 o 51.472  5.1477  327.499    63.429   378.819    78.044   227.640    108.865  55.244  5.9141  41.722  10.702  13.52214       12.22727 
1 1 1 -7  -6  48 o 97.603  5.0459  1169.41    119.091  1186.46    152.398  1142.67    190.860  97.955  6.4480  95.527  8.3173  2.427773       10.52393 
1 1 1 -7  -6  49 o 14.029  5.7952  6.9935     32.049   38.033     43.568   -29.6094   47.312   19.414  7.0966  13.911  6.3415  5.502505       9.517154 
1 1 1 -7  -6  50 o 67.792  4.1314  563.612    67.633   526.263    97.617   598.090    93.792   65.040  6.2630  69.536  5.6065  -4.496101      8.405848 
1 1 1 -7  -6  51 o 96.731  3.9976  1143.66    93.827   1079.41    134.827  1203.99    130.653  93.365  5.9831  98.785  5.4722  -5.420532      8.108142 
1 1 1 -7  -6  52 o 48.897  6.3279  300.656    73.315   323.177    241.383  298.368    76.951   48.816  16.816  48.605  6.7031  0.2101707      18.10299 
1 1 1 -7  -6  53 o 29.693  9.6200  110.636    79.154   0.0000     0.0000   110.636    79.154   ?       ?       29.693  9.6200  0.000000       9.619958 
1 1 1 -7  -6  54 o 19.131  8.0493  9.3980     63.529   0.0000     0.0000   9.3980     63.529   ?       ?       19.131  8.0493  0.000000       8.049325 
1 1 1 -7  -6  55 o 45.705  4.9929  260.556    54.470   277.685    81.115   246.489    73.509   46.472  7.4450  43.818  7.1613  2.653221       10.33019 
1 1 1 -7  -6  56 f 68.511  4.2952  578.928    71.041   622.473    103.128  539.603    98.003   70.484  6.0899  65.538  6.2381  4.945923       8.717839 
1 1 1 -7  -6  57 o 25.839  6.7889  86.622     43.117   18.508     63.600   144.552    58.653   19.795  8.1693  33.263  7.4520  -13.46863      11.05758 
1 1 1 -7  -6  58 o 31.279  6.2077  125.844    45.451   112.591    64.024   139.310    64.533   29.373  8.4986  32.526  8.1838  -3.153133      11.79832 
1 1 1 -7  -6  59 o 23.613  7.5992  69.184     49.456   64.481     63.562   76.400     78.730   23.991  8.5991  26.226  9.5468  -2.235334      12.84861 
1 1 1 -7  -6  60 o 12.359  5.5512  -15.3511   34.679   -2.2496    39.499   -59.4200   72.443   14.414  6.2137  16.268  7.5689  -1.854144      9.792763 
1 1 1 -7  -6  61 o 19.219  6.7459  41.810     38.932   30.927     41.798   113.093    106.975  18.166  6.8894  30.739  11.138  -12.57302      13.09628 
1 1 1 -7  -5  1  o 538.131 12.215  35232.45   1594.96  37693.81   2764.62  34004.50   1952.70  555.178 20.523  528.254 15.234  26.92377       25.55932 
1 1 1 -7  -5  2  o 439.768 12.339  23532.60   1316.60  22666.54   1853.18  24415.27   1870.86  430.922 17.724  447.310 17.237  -16.38785      24.72355 
1 1 1 -7  -5  3  o 315.934 9.2506  12130.13   709.135  12039.25   993.320  12224.58   1012.70  314.487 13.017  316.886 13.171  -2.398895      18.51812 
1 1 1 -7  -5  4  o 518.392 14.611  32742.45   1837.85  33889.93   2587.61  31574.34   2610.78  526.361 20.261  507.866 21.186  18.49469       29.31472 
1 1 1 -7  -5  5  o 645.946 17.775  50945.39   2785.90  48977.04   3927.50  52938.72   3952.34  631.171 25.645  656.479 24.812  -25.30743      35.68371 
1 1 1 -7  -5  6  o 545.187 10.701  36144.13   1415.62  35724.13   2002.52  36563.68   2001.46  541.361 15.245  547.716 15.060  -6.355408      21.42930 
1 1 1 -7  -5  7  o 649.073 12.649  51277.89   1992.19  51220.89   2817.76  51334.86   2817.00  647.655 17.931  648.381 17.906  -0.7260742     25.34019 
1 1 1 -7  -5  8  o 506.331 10.165  31167.68   1248.89  31254.11   1766.54  31081.32   1765.84  506.509 14.374  505.102 14.408  1.407074       20.35199 
1 1 1 -7  -5  9  o 310.432 6.5386  11701.30   492.510  11506.63   696.817  11895.63   696.212  307.703 9.3330  312.871 9.1709  -5.167236      13.08477 
1 1 1 -7  -5  10 o 441.676 8.9491  23703.84   959.068  23749.30   1356.65  23658.43   1356.00  441.755 12.657  440.908 12.675  0.8478699      17.91228 
1 1 1 -7  -5  11 o 541.892 10.668  35702.59   1402.72  35979.18   1984.06  35426.19   1983.42  543.407 15.048  539.197 15.160  4.209534       21.36023 
1 1 1 -7  -5  12 o 76.384  4.5863  710.680    84.609   795.615    130.585  649.225    111.077  80.667  6.7332  72.849  6.3474  7.817543       9.253424 
1 1 1 -7  -5  13 o 534.703 15.059  34830.34   1953.76  34169.78   2778.59  35476.31   2747.75  528.441 21.670  538.584 21.026  -10.14246      30.19433 
1 1 1 -7  -5  14 o 450.507 12.596  24693.24   1376.84  26400.14   1963.02  23040.45   1931.65  465.217 17.390  434.479 18.323  30.73849       25.26168 
1 1 1 -7  -5  15 o 454.015 12.913  25082.13   1422.51  24859.94   2027.93  25297.35   1995.91  451.293 18.520  455.312 18.066  -4.019928      25.87204 
1 1 1 -7  -5  16 o 48.669  3.3849  288.814    39.723   257.190    55.296   322.537    57.101   45.752  5.0661  51.342  4.6335  -5.590153      6.865438 
1 1 1 -7  -5  17 o 603.456 11.872  44291.05   1738.26  44645.80   2458.86  43936.65   2457.69  605.117 16.747  600.269 16.874  4.847900       23.77361 
1 1 1 -7  -5  18 o 73.879  3.3780  662.310    60.555   652.947    85.515   671.726    85.760   73.186  4.8429  74.240  4.7863  -1.053680      6.809031 
1 1 1 -7  -5  19 o 668.391 13.006  54370.70   2109.28  55636.49   2984.02  53106.70   2981.93  675.105 18.217  659.484 18.635  15.62140       26.05967 
1 1 1 -7  -5  20 o 367.012 7.5190  16359.70   669.581  15998.29   947.929  16719.59   945.937  362.724 10.770  370.831 10.513  -8.106720      15.05072 
1 1 1 -7  -5  21 o 180.531 4.7297  3955.86    207.183  4010.46    294.007  3902.00    292.004  181.730 6.6676  179.255 6.7136  2.475555       9.461942 
1 1 1 -7  -5  22 o 506.185 10.058  31157.81   1235.39  31527.37   1748.59  30789.50   1745.63  508.594 14.169  502.583 14.315  6.010681       20.14155 
1 1 1 -7  -5  23 o 66.907  3.6418  544.901    58.900   576.261    83.909   514.438    82.699   68.710  5.0688  64.878  5.2997  3.831635       7.333426 
1 1 1 -7  -5  24 o 287.481 6.2197  10038.80   433.856  10368.36   615.165  9712.65    611.977  291.993 8.6827  282.590 8.9251  9.402832       12.45179 
1 1 1 -7  -5  25 o 263.611 5.8359  8441.84    373.283  8520.21    529.549  8364.45    526.269  264.657 8.2463  262.225 8.2712  2.432343       11.67967 
1 1 1 -7  -5  26 o 83.538  3.5989  847.167    72.949   834.161    104.736  859.421    101.663  82.699  5.2467  83.966  5.0128  -1.266663      7.256460 
1 1 1 -7  -5  27 f 207.166 6.8298  5220.70    343.314  5074.23    470.125  5388.06    502.532  203.986 9.4984  210.158 9.8550  -6.171997      13.68721 
1 1 1 -7  -5  28 o 84.880  4.9213  878.381    100.922  812.011    131.164  974.694    158.005  81.419  6.6987  89.174  7.3685  -7.754532      9.958273 
1 1 1 -7  -5  29 o 107.989 5.0521  1417.27    132.377  1298.96    174.256  1578.72    203.560  103.064 7.0098  113.618 7.4246  -10.55473      10.21089 
1 1 1 -7  -5  30 o 213.958 6.9668  5572.15    361.682  5334.20    494.928  5844.86    529.848  209.010 9.7591  218.753 9.9823  -9.743500      13.96022 
1 1 1 -7  -5  31 o 294.386 6.2171  10541.40   444.087  10752.65   631.049  10334.14   625.062  296.941 8.7585  291.090 8.8498  5.851746       12.45109 
1 1 1 -7  -5  32 o 256.196 5.8383  7981.46    362.928  7875.25    516.326  8085.19    510.243  254.176 8.3719  257.572 8.1642  -3.395523      11.69375 
1 1 1 -7  -5  33 o 196.450 4.7665  4689.45    227.206  4464.16    323.554  4908.62    319.126  191.502 6.9632  200.848 6.5483  -9.345978      9.558609 
1 1 1 -7  -5  34 o 268.333 5.8334  8756.81    379.807  8531.45    540.317  8976.92    533.995  264.508 8.4187  271.375 8.1097  -6.867554      11.68939 
1 1 1 -7  -5  35 o 224.632 7.5441  6148.29    411.189  6196.41    615.851  6109.58    552.339  224.624 11.336  223.528 10.184  1.095856       15.23859 
1 1 1 -7  -5  36 o 332.754 10.204  13548.38   823.897  13087.72   1201.83  13956.81   1131.66  325.357 15.224  336.526 13.859  -11.16910      20.58727 
1 1 1 -7  -5  37 o 307.825 9.5892  11592.81   716.225  11261.67   1049.85  11881.12   979.590  301.843 14.334  310.543 13.000  -8.700378      19.35170 
1 1 1 -7  -5  38 o 99.399  3.8123  1200.50    91.947   1178.25    131.456  1221.81    128.653  98.236  5.5376  100.065 5.3179  -1.828995      7.677551 
1 1 1 -7  -5  39 o 290.164 6.3840  10267.02   449.468  10073.00   639.718  10456.16   631.648  286.624 9.1984  292.119 8.9115  -5.494965      12.80724 
1 1 1 -7  -5  40 o 40.123  4.5955  198.475    43.933   164.238    61.904   233.216    62.359   36.006  7.3348  43.304  6.1042  -7.297920      9.542586 
1 1 1 -7  -5  41 o 59.788  3.8468  436.627    55.509   438.147    76.215   434.910    81.008   59.710  5.3161  59.432  5.6869  0.2779121      7.784735 
1 1 1 -7  -5  42 o 150.192 4.3147  2747.58    157.239  2595.34    223.742  2896.13    221.021  145.639 6.3315  153.930 5.9176  -8.290771      8.666341 
1 1 1 -7  -5  43 o 138.877 4.2077  2350.12    141.787  2416.83    204.011  2287.79    197.198  140.522 5.9834  136.727 5.9441  3.794846       8.434013 
1 1 1 -7  -5  44 o 48.967  6.1190  298.356    71.114   298.356    71.114   0.0000     0.0000   48.967  6.1190  ?       ?       0.000000       6.118969 
1 1 1 -7  -5  45 o 28.228  7.4001  101.872    51.305   101.872    51.305   0.0000     0.0000   28.228  7.4001  ?       ?       0.000000       7.400129 
1 1 1 -7  -5  46 o 38.703  4.6667  185.636    42.942   203.161    62.789   170.236    58.858   40.111  6.6869  36.600  6.8803  3.510944       9.594398 
1 1 1 -7  -5  47 o 84.082  5.0694  868.424    102.940  995.342    130.826  662.112    166.799  89.814  6.0383  72.093  9.7885  17.72118       11.50112 
1 1 1 -7  -5  48 o 30.867  6.6651  121.863    48.458   129.117    58.575   106.135    86.254   31.662  7.6990  29.851  10.056  1.810156       12.66486 
1 1 1 -7  -5  49 o 66.828  3.9048  546.921    63.041   436.112    91.122   648.647    87.307   59.135  6.4555  72.596  4.9867  -13.46107      8.157233 
1 1 1 -7  -5  50 o 32.874  6.6093  138.166    50.892   304.501    77.667   13.012     67.370   49.200  6.6785  20.032  8.3489  29.16781       10.69143 
1 1 1 -7  -5  51 o 37.192  5.7257  174.244    50.013   192.512    73.202   158.252    68.490   38.555  8.0832  34.879  8.2263  3.676048       11.53304 
1 1 1 -7  -5  52 o 44.169  8.3147  252.620    85.840   632.668    224.515  187.552    92.898   67.705  14.124  37.650  10.0000 30.05574       17.30540 
1 1 1 -7  -5  53 o 40.470  9.0929  215.828    87.112   0.0000     0.0000   215.828    87.112   ?       ?       40.470  9.0929  0.000000       9.092870 
1 1 1 -7  -5  54 o 22.687  7.2427  63.607     44.993   131.109    67.299   9.0504     60.503   31.602  8.5634  18.685  7.8582  12.91644       11.62252 
1 1 1 -7  -5  55 o 25.231  7.0981  82.152     45.282   128.972    64.987   37.969     63.130   31.315  8.3854  21.409  8.3749  9.906471       11.85133 
1 1 1 -7  -5  56 o 46.821  4.8592  273.083    54.401   162.263    79.655   369.954    74.474   34.917  9.2532  54.321  5.7371  -19.40437      10.88736 
1 1 1 -7  -5  57 o 50.665  4.7462  318.924    57.667   304.189    81.804   333.481    81.304   48.765  7.1238  51.243  6.6994  -2.478825      9.779071 
1 1 1 -7  -5  58 o 35.719  6.6452  164.172    55.474   149.749    72.504   184.537    86.154   33.633  8.7875  37.166  9.5133  -3.533039      12.95084 
1 1 1 -7  -5  59 o 34.815  6.4301  155.775    52.317   125.708    67.231   201.933    83.301   30.900  8.6336  38.977  8.9913  -8.076523      12.46525 
1 1 1 -7  -5  60 o 53.373  5.9285  358.893    75.480   315.083    89.462   467.121    140.612  49.335  7.7271  59.100  10.173  -9.764904      12.77453 
1 1 1 -7  -4  1  o 466.633 9.2456  26461.40   1046.82  26675.96   1482.71  26248.16   1478.16  468.133 13.053  464.356 13.119  3.776611       18.50686 
1 1 1 -7  -4  2  o 360.676 10.480  15816.88   917.152  16238.14   1284.88  15379.29   1309.57  365.082 14.505  355.224 15.194  9.858215       21.00555 
1 1 1 -7  -4  3  o 277.465 8.4450  9353.68    568.553  9779.71    791.870  8900.37    816.821  283.537 11.510  270.428 12.448  13.10901       16.95415 
1 1 1 -7  -4  4  o 247.224 7.7032  7424.16    462.090  7636.10    641.351  7195.38    666.353  250.594 10.548  243.215 11.291  7.379547       15.45163 
1 1 1 -7  -4  5  o 472.573 13.214  27192.39   1515.24  25967.20   2128.87  28450.35   2157.14  460.908 19.036  482.557 18.423  -21.64877      26.49110 
1 1 1 -7  -4  6  o 477.581 9.4339  27722.42   1093.21  27464.35   1546.47  27980.20   1545.60  474.904 13.421  479.361 13.288  -4.456726      18.88630 
1 1 1 -7  -4  7  o 258.367 5.5524  8103.72    348.084  7679.48    492.548  8527.00    491.984  251.424 8.0738  264.953 7.6528  -13.52895      11.12433 
1 1 1 -7  -4  8  o 273.689 5.9118  9094.07    392.590  9232.72    555.471  8955.69    554.943  275.672 8.3043  271.499 8.4239  4.172821       11.82897 
1 1 1 -7  -4  9  o 354.342 7.3824  15249.37   634.720  15140.10   897.906  15358.50   897.354  352.875 10.487  355.418 10.405  -2.542175      14.77321 
1 1 1 -7  -4  10 o 468.693 9.3129  26696.07   1059.10  26197.16   1498.09  27194.61   1497.52  463.883 13.310  472.662 13.057  -8.779236      18.64511 
1 1 1 -7  -4  11 o 401.753 8.0665  19606.07   786.333  19587.57   1112.39  19624.55   1111.70  401.314 11.424  401.694 11.406  -0.3801575     16.14297 
1 1 1 -7  -4  12 f 549.582 15.304  36803.56   2040.86  37657.60   2902.92  35968.89   2869.80  554.736 21.567  542.101 21.818  12.63531       30.67788 
1 1 1 -7  -4  13 o 799.575 21.885  78238.88   4245.87  81305.02   6021.80  75207.58   5987.50  811.760 30.573  780.270 31.625  31.48907       43.98704 
1 1 1 -7  -4  14 o 574.544 16.078  40233.51   2241.41  40001.87   3187.28  40460.13   3152.67  571.514 22.984  574.867 22.602  -3.353271      32.23542 
1 1 1 -7  -4  15 o 253.899 6.4555  7826.66    397.698  7583.60    490.602  8292.48    679.179  249.873 8.0918  261.176 10.717  -11.30344      13.42903 
1 1 1 -7  -4  16 o 472.213 9.4840  27095.68   1086.66  27101.08   1537.52  27090.28   1536.03  471.884 13.428  471.792 13.418  0.9283447E-01  18.98311 
1 1 1 -7  -4  17 o 471.180 9.4533  26977.25   1080.77  26875.57   1529.24  27078.71   1527.64  469.914 13.412  471.694 13.347  -1.779816      18.92178 
1 1 1 -7  -4  18 o 397.033 7.8669  19145.84   757.872  18735.83   1072.73  19554.41   1070.86  392.529 11.263  401.033 11.005  -8.504028      15.74690 
1 1 1 -7  -4  19 o 586.641 11.585  41857.17   1648.99  42337.55   2333.17  41377.73   2330.87  589.271 16.318  582.522 16.491  6.748596       23.19966 
1 1 1 -7  -4  20 o 496.892 9.8315  30011.53   1185.35  29453.79   1677.56  30567.66   1675.12  491.763 14.059  501.014 13.779  -9.250763      19.68583 
1 1 1 -7  -4  21 o 952.207 18.446  110799.40  4261.74  108915.80  6028.46  112681.20  6025.55  940.524 26.416  956.888 25.952  -16.36414      37.03151 
1 1 1 -7  -4  22 o 731.805 14.232  65284.14   2527.20  65557.08   3575.64  65011.70   3572.35  731.581 20.143  728.508 20.210  3.072388       28.53370 
1 1 1 -7  -4  23 o 145.011 3.9966  2552.27    140.622  2499.77    199.853  2603.75    197.901  143.479 5.7406  146.436 5.5697  -2.957504      7.998536 
1 1 1 -7  -4  24 o 397.575 8.1214  19218.73   783.453  19062.63   1109.94  19373.74   1106.01  395.512 11.566  398.747 11.431  -3.234863      16.26173 
1 1 1 -7  -4  25 o 384.777 7.8157  18007.13   729.696  17913.49   1034.12  18099.99   1029.79  383.283 11.120  385.291 11.015  -2.008270      15.65186 
1 1 1 -7  -4  26 o 105.843 3.7006  1360.07    95.038   1269.10    135.752  1447.52    133.095  102.052 5.5026  109.161 5.0249  -7.109482      7.451772 
1 1 1 -7  -4  27 o 46.898  5.6635  271.216    63.142   325.241    79.723   180.285    103.428  51.297  6.5550  37.936  10.747  13.36153       12.58827 
1 1 1 -7  -4  28 o 25.362  7.4167  79.675     48.530   89.927     59.964   60.213     82.621   27.158  8.3174  25.873  9.7142  1.285273       12.78851 
1 1 1 -7  -4  29 o 147.030 5.8028  2628.73    207.018  2945.15    277.704  2232.95    310.584  155.518 7.3593  134.913 9.5494  20.60506       12.05613 
1 1 1 -7  -4  30 o 292.727 6.3724  10424.24   452.614  10339.87   642.913  10507.14   637.311  291.128 9.1013  293.500 8.9491  -2.372375      12.76403 
1 1 1 -7  -4  31 o 273.913 5.9573  9124.17    395.937  9080.05    562.869  9167.39    557.055  272.915 8.4999  274.244 8.3714  -1.329285      11.93018 
1 1 1 -7  -4  32 o 357.164 7.4454  15534.66   645.241  15665.91   915.944  15405.37   909.111  357.994 10.545  355.002 10.554  2.991791       14.91903 
1 1 1 -7  -4  33 o 260.584 5.6818  8256.74    359.251  8345.83    511.001  8169.68    505.164  261.690 8.0477  258.914 8.0410  2.775421       11.37645 
1 1 1 -7  -4  34 o 124.495 3.9538  1882.50    119.434  1849.17    170.246  1914.81    167.595  123.313 5.6899  125.492 5.5040  -2.179100      7.916389 
1 1 1 -7  -4  35 o 242.826 8.0938  7190.02    476.884  6729.68    709.022  7570.31    644.427  233.771 12.546  248.698 10.679  -14.92746      16.47540 
1 1 1 -7  -4  36 o 43.316  7.4472  235.111    75.450   -4.0275    136.661  339.963    90.492   27.236  11.646  52.314  7.3302  -25.07792      13.76066 
1 1 1 -7  -4  37 o 194.706 7.0095  4620.96    331.153  4508.59    504.755  4705.87    438.786  191.387 10.915  196.152 9.2193  -4.765182      14.28716 
1 1 1 -7  -4  38 f 68.328  3.8042  569.078    62.819   538.040    89.350   599.416    88.339   66.244  5.6116  69.989  5.2399  -3.745338      7.677667 
1 1 1 -7  -4  39 o 158.159 4.4154  3042.70    169.447  2953.69    240.947  3129.79    238.341  155.607 6.3816  160.212 6.1311  -4.605118      8.849566 
1 1 1 -7  -4  40 f 54.762  4.3135  367.171    56.852   406.424    76.960   320.021    84.348   57.467  5.5901  50.682  7.0498  6.784348       8.997153 
1 1 1 -7  -4  41 o 146.036 4.2404  2596.31    150.254  2572.43    215.818  2618.77    209.314  145.090 6.1304  146.432 5.8911  -1.341431      8.502160 
1 1 1 -7  -4  42 o 128.963 4.1436  2025.56    129.660  2060.99    185.325  1991.59    181.469  129.832 5.8829  127.631 5.8598  2.200676       8.303354 
1 1 1 -7  -4  43 o 152.784 4.3322  2845.75    160.601  2857.78    231.859  2834.65    222.668  152.706 6.2575  152.141 6.0318  0.5652313      8.691348 
1 1 1 -7  -4  44 o 112.134 5.8509  1544.73    158.641  1544.73    158.641  0.0000     0.0000   112.134 5.8509  ?       ?       0.000000       5.850868 
1 1 1 -7  -4  45 o 59.229  5.7597  434.000    81.728   434.000    81.728   0.0000     0.0000   59.229  5.7597  ?       ?       0.000000       5.759726 
1 1 1 -7  -4  46 o 70.925  3.9031  615.258    66.912   588.681    97.416   638.995    92.065   69.017  5.8730  72.043  5.3040  -3.026443      7.913589 
1 1 1 -7  -4  47 o 85.515  5.0179  898.083    103.662  821.058    129.805  1033.69    172.234  81.378  6.6315  90.993  7.8786  -9.615837      10.29808 
1 1 1 -7  -4  48 o 26.737  7.0774  91.509     46.634   108.474    55.871   52.542     84.674   29.067  7.7715  25.072  9.7292  3.995289       12.45205 
1 1 1 -7  -4  49 o 123.646 4.2027  1868.24    126.089  1922.84    182.598  1818.47    174.324  124.967 6.0219  121.562 5.9101  3.405998       8.437608 
1 1 1 -7  -4  50 o 51.211  4.8320  324.299    59.332   298.385    86.067   347.767    81.904   48.435  7.5713  52.648  6.5533  -4.213451      10.01352 
1 1 1 -7  -4  51 o 64.865  4.4215  517.789    69.175   621.991    101.159  426.267    94.805   70.738  5.9489  58.223  6.8411  12.51475       9.065920 
1 1 1 -7  -4  52 o 37.308  9.2573  183.516    83.402   0.0000     0.0000   183.516    83.402   ?       ?       37.308  9.2573  0.000000       9.257286 
1 1 1 -7  -4  53 o 72.673  7.6084  669.614    132.174  0.0000     0.0000   669.614    132.174  ?       ?       72.673  7.6084  0.000000       7.608397 
1 1 1 -7  -4  54 o 25.131  7.1625  81.282     45.798   85.197     68.747   78.157     61.409   26.515  8.9775  25.355  8.4853  1.160175       12.35296 
1 1 1 -7  -4  55 o 36.820  5.8782  172.240    50.750   160.068    74.224   182.926    69.547   34.757  8.7941  37.390  7.9126  -2.632374      11.82986 
1 1 1 -7  -4  56 o 58.455  4.5733  423.021    64.350   380.011    92.891   462.706    89.227   54.578  7.1894  60.680  6.1449  -6.102390      9.457659 
1 1 1 -7  -4  57 o 16.710  6.6606  18.984     40.617   28.413     59.045   10.516     55.960   20.081  8.0223  18.146  7.5899  1.935566       11.04372 
1 1 1 -7  -4  58 o 14.572  6.4396  -12.1219   44.763   -40.4027   57.363   31.916     71.581   14.920  6.8686  21.803  8.7893  -6.883114      11.15481 
1 1 1 -7  -4  59 o 28.270  7.9911  104.365    57.251   104.076    65.772   105.271    116.300  28.384  8.7139  30.804  11.533  -2.420570      14.45505 
1 1 1 -7  -4  60 o 44.999  6.5627  258.805    69.547   280.030    81.900   203.932    131.686  46.497  7.5157  38.582  12.399  7.915173       14.49863 
1 1 1 -7  -3  1  o 835.436 16.250  85123.54   3294.12  83969.45   4659.92  86276.30   4657.25  827.494 23.209  838.910 22.880  -11.41565      32.59020 
1 1 1 -7  -3  2  o 635.250 17.795  49275.36   2742.93  50741.80   3863.84  47785.54   3894.51  642.693 24.777  623.381 25.748  19.31183       35.73295 
1 1 1 -7  -3  3  o 273.681 8.2949  9100.17    550.831  8940.43    765.551  9271.64    793.167  271.080 11.639  276.042 11.842  -4.961914      16.60417 
1 1 1 -7  -3  4  o 583.755 16.364  41577.02   2317.86  42329.83   3263.09  40810.33   3293.01  587.433 22.893  576.612 23.537  10.82031       32.83406 
1 1 1 -7  -3  5  o 91.745  4.5708  1021.63    101.751  971.476    135.482  1086.51    154.103  89.225  6.2984  94.346  6.7769  -5.120384      9.251787 
1 1 1 -7  -3  6  o 579.171 11.474  40809.10   1612.47  40937.77   2281.64  40680.71   2279.11  579.277 16.233  577.449 16.266  1.828064       22.98041 
1 1 1 -7  -3  7  o 271.049 5.8702  8919.54    386.070  9083.41    547.034  8756.92    544.942  273.431 8.2452  268.467 8.3656  4.964569       11.74591 
1 1 1 -7  -3  8  o 630.500 12.532  48383.44   1917.17  48302.40   2712.50  48464.32   2710.06  628.953 17.774  630.017 17.728  -1.063782      25.10390 
1 1 1 -7  -3  9  o 842.079 18.880  86641.09   3857.65  85348.64   6671.34  87290.30   4728.30  829.688 33.139  843.747 23.096  -14.05933      40.39272 
1 1 1 -7  -3  10 o 234.988 5.2660  6702.86    300.254  6397.38    425.543  7005.71    423.710  229.502 7.6418  240.179 7.2706  -10.67696      10.54790 
1 1 1 -7  -3  11 o 820.129 15.769  81986.98   3137.93  81324.41   4438.91  82648.82   4436.49  814.843 22.451  821.519 22.257  -6.675476      31.61344 
1 1 1 -7  -3  12 o 559.047 15.417  38083.52   2091.24  40232.33   2976.58  35989.03   2938.72  573.441 21.393  542.152 22.339  31.28882       30.93051 
1 1 1 -7  -3  13 o 178.715 6.2492  3877.59    270.988  3893.67    400.547  3864.01    367.988  178.770 9.2659  178.348 8.5036  0.4224091      12.57646 
1 1 1 -7  -3  14 o 931.233 25.500  106426.10  5761.86  109612.30  8168.43  103270.80  8128.71  939.853 35.819  911.729 36.744  28.12445       51.31439 
1 1 1 -7  -3  15 o 513.313 10.109  32024.41   1259.13  32863.04   1782.04  31188.33   1779.32  519.545 14.136  506.089 14.490  13.45624       20.24317 
1 1 1 -7  -3  16 o 1086.34 21.138  144302.50  5571.87  145150.30  7881.26  143455.30  7878.36  1085.28 29.929  1078.83 30.097  6.449341       42.44460 
1 1 1 -7  -3  17 o 290.693 5.9682  10258.37   420.960  10581.57   596.642  9938.01    594.021  295.148 8.3312  286.022 8.5593  9.125854       11.94449 
1 1 1 -7  -3  18 o 319.043 6.7608  12359.29   523.375  12594.16   741.619  12126.27   738.716  321.931 9.4941  315.886 9.6379  6.044556       13.52878 
1 1 1 -7  -3  19 o 286.615 6.1296  9973.32    426.280  9355.82    604.122  10585.64   601.587  277.487 8.9726  295.190 8.3991  -17.70261      12.29032 
1 1 1 -7  -3  20 o 557.430 10.893  37787.71   1473.38  37482.84   2085.32  38091.62   2082.04  554.501 15.499  559.012 15.350  -4.510620      21.81374 
1 1 1 -7  -3  21 o 108.164 3.6596  1419.79    96.045   1589.66    136.154  1251.54    135.505  114.438 4.9034  101.383 5.5293  13.05502       7.390295 
1 1 1 -7  -3  22 o 385.094 7.9180  18019.37   739.855  18266.32   1048.14  17774.13   1044.50  387.430 11.150  382.163 11.264  5.267395       15.84908 
1 1 1 -7  -3  23 o 220.296 5.2271  5892.37    279.404  6019.01    396.698  5767.71    393.593  222.565 7.3458  217.865 7.4456  4.700424       10.45931 
1 1 1 -7  -3  24 o 243.899 5.5442  7224.93    328.107  7093.82    465.902  7353.94    462.148  241.536 7.9497  245.938 7.7444  -4.402771      11.09837 
1 1 1 -7  -3  25 o 139.613 4.0003  2366.43    135.513  2373.76    192.813  2359.27    190.497  139.779 5.6850  139.354 5.6339  0.4254761      8.003714 
1 1 1 -7  -3  26 o 137.318 3.9137  2289.54    130.400  2315.15    185.292  2264.42    183.547  138.027 5.5326  136.507 5.5415  1.520828       7.830567 
1 1 1 -7  -3  27 o 120.997 5.2458  1779.20    154.010  1555.04    203.943  2076.68    234.935  112.771 7.4960  130.396 7.4563  -17.62503      10.57294 
1 1 1 -7  -3  28 o 123.638 5.2701  1858.04    158.100  1605.70    209.450  2192.25    241.040  114.574 7.5768  133.968 7.4445  -19.39427      10.62214 
1 1 1 -7  -3  29 o 352.054 10.420  15147.28   890.079  15401.67   1239.03  14876.02   1279.47  353.813 14.433  347.468 15.176  6.345428       20.94286 
1 1 1 -7  -3  30 o 80.604  3.6209  788.913    70.818   817.343    101.247  761.681    99.091   81.848  5.1239  78.994  5.1989  2.854256       7.299534 
1 1 1 -7  -3  31 o 253.142 5.6967  7791.21    349.905  7770.04    497.550  7811.93    492.175  252.515 8.1206  253.210 8.0108  -0.6948242     11.40686 
1 1 1 -7  -3  32 o 184.506 4.6259  4136.08    207.096  4148.98    295.594  4123.66    290.234  184.654 6.5974  184.098 6.4973  0.5560455      9.259665 
1 1 1 -7  -3  33 o 170.148 4.4251  3517.13    182.690  3433.05    260.526  3598.48    256.252  167.976 6.3920  171.995 6.1403  -4.018677      8.863480 
1 1 1 -7  -3  34 o 49.158  4.2866  295.803    50.618   203.051    71.167   390.763    72.009   40.173  7.5789  56.445  5.3205  -16.27188      9.260015 
1 1 1 -7  -3  35 o 245.667 8.2689  7362.00    492.899  6591.51    731.185  8003.77    667.314  231.157 13.090  255.670 10.757  -24.51294      16.94291 
1 1 1 -7  -3  36 o 195.069 7.1422  4637.32    338.053  4506.89    516.180  4735.28    447.335  191.372 11.165  196.801 9.3679  -5.428574      14.57427 
1 1 1 -7  -3  37 o 118.174 6.2477  1705.65    178.510  1788.68    297.374  1658.87    223.197  120.356 10.282  116.295 7.9576  4.061256       13.00127 
1 1 1 -7  -3  38 o 142.750 4.2264  2477.50    146.389  2634.04    209.284  2327.54    204.839  147.045 5.8657  138.201 6.1085  8.843506       8.468836 
1 1 1 -7  -3  39 o 220.715 5.2700  5933.87    282.230  6024.22    403.323  5847.17    395.071  221.936 7.4896  218.661 7.4463  3.275360       10.56134 
1 1 1 -7  -3  40 o 95.962  3.9264  1120.20    91.424   1142.38    130.557  1098.86    128.066  96.616  5.5931  94.751  5.5952  1.865341       7.911287 
1 1 1 -7  -3  41 o 56.593  4.2699  392.213    58.202   465.046    80.396   312.008    84.367   61.489  5.4448  49.958  7.1650  11.53120       8.999065 
1 1 1 -7  -3  42 o 106.470 3.9083  1380.29    100.968  1312.53    146.674  1441.32    139.198  103.425 5.8689  108.635 5.2808  -5.209801      7.894966 
1 1 1 -7  -3  43 o 52.727  6.2045  345.350    77.860   345.350    77.860   0.0000     0.0000   52.727  6.2045  ?       ?       0.000000       6.204511 
1 1 1 -7  -3  44 o 133.038 5.9743  2170.37    192.854  2170.37    192.854  0.0000     0.0000   133.038 5.9743  ?       ?       0.000000       5.974346 
1 1 1 -7  -3  45 o 53.795  4.2264  355.268    54.722   441.758    78.314   272.747    76.496   59.812  5.4562  46.555  6.9875  13.25675       8.865394 
1 1 1 -7  -3  46 f 139.383 5.6921  2383.16    192.506  2386.87    250.812  2377.85    300.315  138.750 7.4775  137.815 9.0308  0.9358368      11.72468 
1 1 1 -7  -3  47 o 123.577 5.4692  1872.78    163.994  1903.58    211.717  1826.57    259.294  123.955 7.0686  120.675 8.9186  3.279663       11.38010 
1 1 1 -7  -3  48 o 97.310  5.1295  1163.71    120.687  1162.15    152.393  1166.33    197.654  96.866  6.5218  96.344  8.5437  0.5225220      10.74844 
1 1 1 -7  -3  49 o 51.435  4.7145  326.630    58.183   314.370    86.522   336.751    78.610   49.829  7.3792  51.868  6.3808  -2.038357      9.755406 
1 1 1 -7  -3  50 f 64.442  4.4954  511.035    69.851   496.226    101.475  524.372    96.296   62.943  6.7496  64.878  6.1923  -1.935406      9.159803 
1 1 1 -7  -3  51 o 37.213  8.1222  180.074    71.279   0.0000     0.0000   180.074    71.279   ?       ?       37.213  8.1222  0.000000       8.122235 
1 1 1 -7  -3  52 o 35.735  9.4338  168.654    83.002   0.0000     0.0000   168.654    83.002   ?       ?       35.735  9.4338  0.000000       9.433849 
1 1 1 -7  -3  53 o 23.395  8.7521  54.935     66.947   110.889    217.234  49.063     70.373   36.871  15.143  23.172  8.9029  13.69866       17.56658 
1 1 1 -7  -3  54 o 47.587  4.9018  281.958    55.789   285.124    79.938   278.952    77.898   47.180  7.2119  46.694  7.0990  0.4858856      10.11969 
1 1 1 -7  -3  55 o 41.179  6.7843  217.264    65.425   224.931    75.002   192.860    133.807  41.621  7.7106  38.054  12.517  3.567432       14.70157 
1 1 1 -7  -3  56 o 16.851  6.7239  19.191     41.432   -11.1638   61.017   45.162     56.439   17.274  7.5802  21.398  8.0299  -4.124390      11.04256 
1 1 1 -7  -3  57 o 51.088  4.9234  324.697    60.275   470.963    85.997   183.459    84.506   61.334  5.8494  37.092  9.3828  24.24247       11.05677 
1 1 1 -7  -3  58 o 61.686  4.7065  471.427    69.913   420.733    94.848   531.743    103.458  57.553  6.9313  64.889  6.6657  -7.335228      9.616367 
1 1 1 -7  -3  59 o 54.628  5.7410  374.773    74.958   395.278    87.417   317.826    145.684  55.830  6.5794  47.594  12.467  8.236141       14.09636 
1 1 1 -7  -2  1  o 778.988 21.557  74321.32   4074.57  74321.32   4074.57  0.0000     0.0000   778.988 21.557  ?       ?       0.000000       21.55694 
1 1 1 -7  -2  2  f 387.935 15.690  18352.61   1476.84  18352.61   1476.84  0.0000     0.0000   387.935 15.690  ?       ?       0.000000       15.68956 
1 1 1 -7  -2  3  o 26.524  4.9230  88.146     30.517   103.096    39.269   65.350     48.491   28.620  5.8522  23.497  7.5209  5.123198       9.529510 
1 1 1 -7  -2  4  o 641.767 17.749  50307.57   2763.79  49065.39   3892.83  51570.07   3924.54  631.560 25.403  647.628 24.975  -16.06818      35.62371 
1 1 1 -7  -2  5  o 634.892 12.459  49066.75   1919.36  48473.33   2715.31  49659.35   2713.45  629.955 17.764  637.670 17.537  -7.714966      24.96245 
1 1 1 -7  -2  6  o 33.106  3.4193  134.425    27.072   139.003    38.524   129.958    38.051   33.489  4.8847  32.340  5.0111  1.148750       6.997952 
1 1 1 -7  -2  7  o 378.265 7.8452  17381.54   720.053  16923.73   1019.32  17837.54   1017.30  372.994 11.263  382.960 10.948  -9.965759      15.70689 
1 1 1 -7  -2  8  o 787.158 15.365  75535.91   2934.76  74945.65   4151.59  76125.48   4149.16  782.146 21.876  788.343 21.691  -6.196716      30.80667 
1 1 1 -7  -2  9  o 312.246 6.5781  11838.63   498.378  11961.43   706.023  11716.68   703.609  313.727 9.2748  310.497 9.3392  3.229980       13.16213 
1 1 1 -7  -2  10 o 754.164 16.979  69389.60   3107.02  68926.39   5371.09  69622.57   3809.00  747.397 29.617  754.373 20.809  -6.976318      36.19703 
1 1 1 -7  -2  11 o 469.141 13.066  26787.59   1487.33  28584.10   2122.85  25055.44   2084.48  483.909 18.080  452.917 18.968  30.99176       26.20402 
1 1 1 -7  -2  12 o 218.376 7.3318  5791.27    388.492  4833.32    567.291  6637.30    533.122  198.996 11.802  233.710 9.4013  -34.71335      15.08843 
1 1 1 -7  -2  13 o 628.269 17.483  48151.22   2665.12  48326.42   3789.29  47979.73   3749.13  627.654 24.881  625.447 24.705  2.206665       35.06273 
1 1 1 -7  -2  14 o 238.096 7.4988  6884.45    433.221  7220.12    631.658  6586.31    595.293  243.706 10.682  232.770 10.540  10.93620       15.00650 
1 1 1 -7  -2  15 f 412.959 8.4033  20715.05   842.021  21129.98   1192.38  20302.31   1189.22  416.825 11.790  408.562 11.996  8.262848       16.81965 
1 1 1 -7  -2  16 o 393.904 8.1947  18846.35   783.231  17413.57   1109.21  20271.10   1106.10  378.373 12.082  408.316 11.164  -29.94278      16.45034 
1 1 1 -7  -2  17 o 383.287 7.7948  17842.38   724.923  17702.35   1026.82  17981.52   1023.58  381.569 11.091  384.575 10.969  -3.006073      15.59893 
1 1 1 -7  -2  18 o 758.984 14.867  70170.57   2737.84  69824.39   3873.70  70516.11   3870.08  755.556 21.130  759.326 21.005  -3.769531      29.79411 
1 1 1 -7  -2  19 o 816.936 15.757  81353.70   3123.43  80728.30   4419.09  81978.04   4415.29  811.813 22.434  818.140 22.242  -6.326660      31.59101 
1 1 1 -7  -2  20 o 359.892 7.4636  15731.69   651.756  15751.57   923.619  15711.98   919.838  359.911 10.576  359.461 10.546  0.4502563      14.93587 
1 1 1 -7  -2  21 f 375.520 7.8008  17131.65   710.780  17322.15   1007.11  16942.58   1003.29  377.345 11.000  373.180 11.080  4.164612       15.61279 
1 1 1 -7  -2  22 o 492.987 10.049  29562.52   1202.04  29766.60   1701.91  29359.37   1697.98  494.043 14.197  490.640 14.263  3.402863       20.12445 
1 1 1 -7  -2  23 o 293.125 6.4968  10437.87   462.079  10577.90   655.124  10299.23   651.846  294.894 9.1557  290.977 9.2326  3.916687       13.00261 
1 1 1 -7  -2  24 o 428.560 8.9085  22350.70   926.362  22152.66   1312.08  22547.52   1308.08  425.985 12.694  429.796 12.543  -3.811218      17.84577 
1 1 1 -7  -2  25 o 232.629 5.3904  6574.52    304.261  6586.80    431.981  6562.43    428.619  232.682 7.6514  232.255 7.6058  0.4269257      10.78846 
1 1 1 -7  -2  26 o 207.784 4.8324  5244.89    243.636  5229.86    345.970  5259.68    343.155  207.344 6.8767  207.940 6.8012  -0.5963898     9.671940 
1 1 1 -7  -2  27 o 248.865 7.7069  7542.83    465.380  6940.10    639.434  8221.66    678.604  238.230 11.062  259.346 10.784  -21.11534      15.44861 
1 1 1 -7  -2  28 o 210.120 7.0295  5374.39    358.391  5508.69    488.903  5218.41    526.911  212.436 9.4848  206.349 10.559  6.086960       14.19355 
1 1 1 -7  -2  29 o 139.161 5.5304  2354.27    186.740  2136.10    247.977  2640.06    283.818  132.199 7.7648  146.987 7.9878  -14.78833      11.13990 
1 1 1 -7  -2  30 o 139.821 4.0931  2374.45    138.865  2374.27    197.570  2374.61    195.220  139.736 5.8271  139.749 5.7572  -0.1376343E-01 8.191450 
1 1 1 -7  -2  31 o 156.434 4.3150  2972.62    163.784  2955.30    232.725  2989.62    230.543  155.876 6.1532  156.785 6.0601  -0.9085999     8.636363 
1 1 1 -7  -2  32 o 228.307 5.1802  6335.43    286.965  6296.64    408.445  6373.23    403.264  227.388 7.4029  228.783 7.2644  -1.394669      10.37185 
1 1 1 -7  -2  33 o 150.408 4.2024  2748.05    153.365  2650.63    218.398  2842.84    215.416  147.614 6.0976  152.892 5.8067  -5.277618      8.420103 
1 1 1 -7  -2  34 o 49.257  6.4173  300.223    74.877   259.757    188.759  307.779    81.569   46.370  14.838  49.802  6.9386  -3.432522      16.38032 
1 1 1 -7  -2  35 o 271.873 8.8287  9025.47    582.406  8524.07    862.128  9446.38    789.896  262.731 13.570  277.458 11.733  -14.72690      17.93906 
1 1 1 -7  -2  36 o 134.071 6.2354  2188.64    202.846  2235.60    332.111  2160.69    256.182  134.714 10.237  132.824 7.9861  1.889938       12.98351 
1 1 1 -7  -2  37 o 111.537 3.9952  1511.89    108.122  1513.38    152.835  1510.39    152.982  111.351 5.6755  111.239 5.6868  0.1119308      8.034408 
1 1 1 -7  -2  38 o 87.879  4.0051  938.886    85.402   952.163    120.677  925.565    120.875  88.227  5.6671  86.969  5.7607  1.258141       8.080970 
1 1 1 -7  -2  39 o 90.231  3.9850  990.203    87.246   981.986    123.506  998.387    123.263  89.560  5.7132  90.316  5.6532  -0.7559662     8.037382 
1 1 1 -7  -2  40 o 193.093 4.9813  4544.38    233.386  4458.73    333.571  4626.52    326.653  190.785 7.2058  194.413 6.9247  -3.627869      9.993696 
1 1 1 -7  -2  41 o 75.993  3.9157  704.828    71.956   753.284    104.880  661.735    98.906   78.340  5.5535  73.393  5.5961  4.946693       7.884068 
1 1 1 -7  -2  42 o 70.452  5.6346  610.791    95.515   610.791    95.515   0.0000     0.0000   70.452  5.6346  ?       ?       0.000000       5.634589 
1 1 1 -7  -2  43 o 135.221 5.9615  2240.79    195.597  2240.79    195.597  0.0000     0.0000   135.221 5.9615  ?       ?       0.000000       5.961483 
1 1 1 -7  -2  44 o 25.889  6.2410  85.564     38.746   89.138     53.950   81.757     55.680   26.620  7.8302  25.767  8.0354  0.8529854      11.21960 
1 1 1 -7  -2  45 o 141.350 4.2738  2438.73    146.582  2517.72    210.233  2364.01    204.482  143.186 6.0511  138.740 6.0742  4.445892       8.573910 
1 1 1 -7  -2  46 f 43.699  5.6519  238.022    58.524   279.713    70.222   143.206    105.899  47.296  6.2739  34.081  11.132  13.21467       12.77825 
1 1 1 -7  -2  47 o 47.409  5.5171  279.362    62.279   224.063    75.386   398.236    110.528  41.894  7.6998  55.995  8.3938  -14.10060      11.39044 
1 1 1 -7  -2  48 o 37.620  4.9252  176.247    43.879   202.615    61.333   148.603    62.800   40.030  6.5405  33.933  7.7919  6.097511       10.17304 
1 1 1 -7  -2  49 o 16.578  6.8044  11.989     43.824   97.289     67.320   -50.7413   57.731   27.965  8.8521  14.521  6.7563  13.44384       11.13590 
1 1 1 -7  -2  50 o 103.976 4.2429  1323.28    107.043  1407.12    154.485  1245.84    148.459  106.591 5.9975  100.229 6.1340  6.361557       8.578788 
1 1 1 -7  -2  51 f 42.743  8.9371  239.061    89.706   0.0000     0.0000   239.061    89.706   ?       ?       42.743  8.9371  0.000000       8.937096 
1 1 1 -7  -2  52 o 129.185 6.6867  2083.93    208.881  2623.55    387.022  1862.13    248.122  141.326 11.383  121.041 8.5022  20.28495       14.20759 
1 1 1 -7  -2  53 o 70.493  4.3176  612.357    73.494   647.993    104.432  577.389    103.448  72.003  6.0331  67.828  6.3599  4.174736       8.766170 
1 1 1 -7  -2  54 o 15.264  6.3961  6.0744     39.845   16.121     57.095   -3.4641    55.633   18.769  7.7426  17.013  7.3541  1.756821       10.67849 
1 1 1 -7  -2  55 o 43.995  7.5304  250.027    77.496   0.0000     0.0000   250.027    77.496   ?       ?       43.995  7.5304  0.000000       7.530448 
1 1 1 -7  -2  56 o 38.786  5.6582  190.143    51.682   172.557    75.397   205.729    70.982   36.105  8.7075  39.794  7.6291  -3.689018      11.57683 
1 1 1 -7  -2  57 o 22.231  7.6160  58.044     49.482   77.615     64.350   29.730     77.399   25.436  8.6853  22.266  9.0798  3.169809       12.56492 
1 1 1 -7  -2  58 o 60.198  4.7735  449.514    69.153   401.991    93.475   506.969    102.779  56.189  7.0085  63.269  6.8018  -7.079918      9.766440 
1 1 1 -7  -2  59 f 24.206  8.2045  70.925     57.419   76.926     65.725   51.581     117.999  25.353  8.7726  27.292  11.179  -1.938057      14.21045 
1 1 1 -7  -1  1  o 317.361 9.3267  12241.45   718.196  11672.70   998.284  12851.66   1034.03  309.610 13.288  324.885 13.117  -15.27484      18.67193 
1 1 1 -7  -1  2  o 153.984 5.7641  2878.70    215.363  3017.15    290.906  2710.79    320.360  157.602 7.6072  149.088 8.8964  8.513824       11.70537 
1 1 1 -7  -1  3  o 438.257 12.543  23381.65   1333.77  23692.33   1867.82  23058.40   1905.22  440.452 17.477  434.419 18.075  6.032196       25.14257 
1 1 1 -7  -1  4  o 81.114  4.4785  801.012    87.802   590.903    115.042  1094.16    135.888  69.409  6.9232  94.745  5.9411  -25.33533      9.122905 
1 1 1 -7  -1  5  o 444.884 8.9433  24053.70   965.403  23285.29   1365.37  24821.92   1365.20  437.314 12.867  451.563 12.460  -14.24942      17.91148 
1 1 1 -7  -1  6  o 151.555 4.0158  2787.55    147.676  2638.30    208.888  2936.68    208.803  147.413 5.8400  155.532 5.5329  -8.118439      8.044806 
1 1 1 -7  -1  7  o 304.873 6.3980  11286.15   473.292  11054.12   669.586  11517.84   669.085  301.588 9.1502  307.860 8.9570  -6.272095      12.80444 
1 1 1 -7  -1  8  o 245.571 5.4582  7320.67    325.233  7340.60    460.322  7300.80    459.576  245.831 7.7172  245.163 7.7257  0.6675720      10.91982 
1 1 1 -7  -1  9  o 211.852 4.8341  5447.55    248.491  5442.24    351.890  5452.83    350.949  211.700 6.8505  211.906 6.8255  -0.2065887     9.670435 
1 1 1 -7  -1  10 o 252.551 5.5780  7742.67    341.818  7512.41    484.024  7971.75    482.785  248.688 8.0214  256.188 7.7666  -7.499924      11.16525 
1 1 1 -7  -1  11 o 663.787 18.588  53800.04   2993.86  52327.34   4253.14  55246.47   4215.05  652.365 26.869  670.630 25.903  -18.26434      37.32206 
1 1 1 -7  -1  12 o 465.357 12.967  26353.09   1464.19  28126.96   2090.06  24643.52   2051.83  480.096 17.942  449.254 18.823  30.84299       26.00402 
1 1 1 -7  -1  13 o 84.593  4.7684  871.286    97.475   969.016    151.463  802.194    127.352  89.052  7.0678  81.022  6.5335  8.030289       9.624981 
1 1 1 -7  -1  14 o 615.654 12.085  46102.44   1805.29  46345.11   2554.42  45860.28   2551.71  616.485 17.077  613.239 17.149  3.246399       24.20134 
1 1 1 -7  -1  15 o 134.941 3.7128  2209.68    121.566  2114.08    172.805  2303.35    171.050  131.972 5.3965  137.757 5.1173  -5.784668      7.437010 
1 1 1 -7  -1  16 o 537.990 10.590  35183.60   1382.34  35585.36   1956.42  34783.06   1953.42  540.529 14.917  534.380 15.065  6.148987       21.20101 
1 1 1 -7  -1  17 o 510.305 10.277  31653.09   1272.53  30773.14   1801.14  32530.11   1798.13  502.655 14.768  516.863 14.338  -14.20798      20.58289 
1 1 1 -7  -1  18 o 65.329  3.6741  519.551    58.003   502.740    81.920   536.451    82.137   64.137  5.3119  66.280  5.1476  -2.143875      7.396904 
1 1 1 -7  -1  19 o 421.236 8.5208  21557.85   870.905  22080.78   1233.36  21037.83   1229.93  426.022 11.932  415.813 12.190  10.20837       17.05777 
1 1 1 -7  -1  20 o 602.109 11.877  44115.39   1735.12  44503.50   2455.70  43728.48   2451.96  603.854 16.760  598.546 16.883  5.307373       23.78958 
1 1 1 -7  -1  21 o 426.228 8.8476  22081.49   915.026  21661.14   1295.84  22499.53   1292.26  421.739 12.663  429.858 12.390  -8.119232      17.71609 
1 1 1 -7  -1  22 o 439.259 8.9648  23460.77   955.493  23325.33   1353.08  23595.49   1349.47  437.492 12.746  440.035 12.639  -2.542908      17.95036 
1 1 1 -7  -1  23 o 221.714 5.3820  5969.67    289.536  5948.91    410.933  5990.13    408.015  221.216 7.6558  221.986 7.5751  -0.7697906     10.76999 
1 1 1 -7  -1  24 o 292.959 6.4148  10430.54   455.988  10344.48   646.485  10515.73   643.257  291.486 9.1406  293.903 9.0202  -2.416534      12.84195 
1 1 1 -7  -1  25 o 78.242  3.6490  743.207    69.274   707.682    98.961   777.342    97.006   76.127  5.3923  79.836  5.0335  -3.708031      7.376528 
1 1 1 -7  -1  26 o 69.937  5.0990  597.484    85.932   568.214    109.917  643.494    137.812  68.010  6.7499  72.252  7.9949  -4.241707      10.46326 
1 1 1 -7  -1  27 o 95.043  5.0722  1100.90    116.549  1033.59    151.322  1199.06    182.739  91.906  6.8346  98.926  7.6730  -7.020271      10.27553 
1 1 1 -7  -1  28 o 96.741  5.1538  1140.68    120.540  1229.40    156.732  1012.23    188.595  100.316 6.4737  90.703  8.6750  9.612381       10.82427 
1 1 1 -7  -1  29 o 401.835 8.3348  19680.52   812.652  19640.69   1151.42  19720.05   1147.12  400.487 11.849  401.316 11.780  -0.8297424     16.70854 
1 1 1 -7  -1  30 o 167.171 4.2376  3394.50    171.887  3335.01    244.595  3452.53    241.603  165.594 6.0875  168.499 5.9094  -2.904251      8.484011 
1 1 1 -7  -1  31 o 134.199 4.0555  2187.35    132.056  2216.55    187.797  2158.78    185.731  135.017 5.7324  133.245 5.7447  1.771606       8.115548 
1 1 1 -7  -1  32 o 23.902  6.7069  71.424     40.483   55.057     52.597   95.213     63.410   22.529  7.8447  27.934  8.5527  -5.405907      11.60553 
1 1 1 -7  -1  33 o 57.608  4.4690  405.628    61.979   421.629    84.734   387.217    90.894   58.563  6.0502  55.988  6.8325  2.575798       9.126275 
1 1 1 -7  -1  34 o 103.344 6.4003  1304.84    159.700  1175.94    268.343  1375.53    198.725  97.270  11.598  105.945 7.7850  -8.674820      13.96881 
1 1 1 -7  -1  35 o 170.816 6.8889  3554.51    285.525  3010.46    444.872  3935.59    372.330  156.146 11.830  179.540 8.5468  -23.39464      14.59425 
1 1 1 -7  -1  36 o 171.690 6.7864  3592.53    282.715  3521.01    442.407  3641.89    367.555  169.042 10.843  172.376 8.8173  -3.333878      13.97576 
1 1 1 -7  -1  37 o 242.624 5.6251  7168.17    331.151  7164.98    471.968  7171.27    464.753  242.106 8.0342  242.241 7.9070  -0.1348877     11.27248 
1 1 1 -7  -1  38 o 72.161  3.9493  635.023    68.888   697.094    99.016   576.794    95.902   75.450  5.4452  68.544  5.8214  6.905937       7.971072 
1 1 1 -7  -1  39 o 120.804 3.9829  1775.26    116.747  1848.13    167.136  1705.83    163.147  123.097 5.5958  118.253 5.6859  4.843903       7.977610 
1 1 1 -7  -1  40 o 250.478 5.7800  7662.82    351.286  7825.13    500.544  7505.27    493.127  252.274 8.1772  247.044 8.2266  5.229660       11.59930 
1 1 1 -7  -1  41 o 146.685 4.1598  2621.02    148.057  2746.37    212.098  2501.88    206.771  149.859 5.8330  143.008 5.9589  6.850510       8.338566 
1 1 1 -7  -1  42 o 115.788 5.7439  1640.92    161.375  1640.92    161.375  0.0000     0.0000   115.788 5.7439  ?       ?       0.000000       5.743910 
1 1 1 -7  -1  43 o 58.589  5.7647  424.511    80.891   424.511    80.891   0.0000     0.0000   58.589  5.7647  ?       ?       0.000000       5.764689 
1 1 1 -7  -1  44 o 35.757  5.1236  159.533    43.183   204.406    60.887   114.117    61.254   40.296  6.4446  29.873  8.2011  10.42225       10.43022 
1 1 1 -7  -1  45 o 92.749  3.9000  1049.04    87.768   1092.28    126.456  1008.86    121.913  94.232  5.5552  90.546  5.5762  3.686783       7.871098 
1 1 1 -7  -1  46 o 20.005  7.1922  41.955     44.497   34.511     51.350   64.396     89.157   19.945  7.6187  26.438  10.053  -6.493698      12.61415 
1 1 1 -7  -1  47 o 29.208  7.0340  109.607    49.256   66.458     58.236   218.063    92.327   24.065  8.2615  40.914  9.4851  -16.84848      12.57854 
1 1 1 -7  -1  48 o 51.406  4.6585  326.110    57.475   371.029    87.504   292.026    76.223   54.382  6.7786  48.173  6.7027  6.209175       9.532846 
1 1 1 -7  -1  49 o 83.955  4.0974  861.847    83.468   825.263    117.720  898.834    118.367  81.586  5.9885  85.230  5.7574  -3.644119      8.307242 
1 1 1 -7  -1  50 o 63.995  6.2484  511.408    95.787   0.0000     0.0000   511.408    95.787   ?       ?       63.995  6.2484  0.000000       6.248417 
1 1 1 -7  -1  51 o 44.729  8.2768  259.310    86.520   583.336    211.654  194.302    94.803   64.902  13.861  38.234  10.077  26.66761       17.13716 
1 1 1 -7  -1  52 o 28.236  8.8592  101.316    67.566   -154.0572  194.283  136.452    72.065   26.052  12.210  32.231  8.9147  -6.179897      15.11827 
1 1 1 -7  -1  53 o 67.701  4.4476  565.713    72.655   582.711    104.354  549.723    101.215  68.109  6.3892  66.139  6.3865  1.970131       9.033813 
1 1 1 -7  -1  54 o 25.514  7.2744  84.002     47.230   66.565     68.655   99.668     65.075   24.596  8.9209  27.906  8.6843  -3.310291      12.44992 
1 1 1 -7  -1  55 o 14.994  6.8149  -29.8441   54.127   50.606     213.620  -35.3635   55.953   33.940  14.537  14.971  6.8521  18.96850       16.07134 
1 1 1 -7  -1  56 o 51.823  4.9241  334.018    61.173   446.218    85.963   218.911    87.071   59.633  6.0236  40.633  9.0621  19.00030       10.88140 
1 1 1 -7  -1  57 o 29.468  7.3761  113.494    52.618   134.667    68.901   83.871     81.500   31.942  8.6686  27.086  9.7342  4.856470       13.03450 
1 1 1 -7  -1  58 o 23.592  7.5787  69.339     49.205   101.880    63.682   21.129     77.512   28.062  8.5674  21.600  8.9749  6.462461       12.40759 
1 1 1 -7  0   1  o 18.450  5.3075  42.212     25.035   14.391     31.238   92.169     41.860   14.848  5.8655  27.011  6.4718  -12.16376      8.734318 
1 1 1 -7  0   2  o 245.822 7.5006  7340.16    447.387  6465.13    616.504  8313.60    650.245  230.542 11.021  261.477 10.249  -30.93478      15.05005 
1 1 1 -7  0   3  o 199.402 6.6465  4828.52    321.579  4827.12    440.028  4830.13    471.127  199.289 9.0998  199.325 9.7412  -0.3588867E-01 13.33033 
1 1 1 -7  0   4  o 202.376 4.8134  4971.31    236.361  4917.04    334.009  5025.76    334.520  201.216 6.8412  203.430 6.7771  -2.214294      9.629679 
1 1 1 -7  0   5  o 233.208 5.1558  6601.92    291.743  6654.88    412.437  6548.88    412.738  234.075 7.2617  232.201 7.3257  1.873947       10.31492 
1 1 1 -7  0   6  o 16.808  4.5929  35.376     19.264   44.135     27.208   26.571     27.280   18.921  5.5592  15.934  5.6418  2.986688       7.920464 
1 1 1 -7  0   7  o 423.232 8.6295  21765.15   886.194  21593.58   1253.28  21936.72   1253.25  421.229 12.262  424.573 12.165  -3.344147      17.27293 
1 1 1 -7  0   8  o 189.561 4.4709  4361.21    205.641  4470.06    290.886  4252.46    290.754  191.875 6.2480  187.143 6.4031  4.732117       8.946321 
1 1 1 -7  0   9  o 74.502  3.2773  673.541    59.245   742.980    83.814   604.199    83.755   78.115  4.4403  70.381  4.9357  7.734383       6.639076 
1 1 1 -7  0   10 o 278.694 8.4318  9435.73    570.181  9790.92    824.960  9110.86    788.961  283.696 11.984  273.673 11.881  10.02350       16.87566 
1 1 1 -7  0   11 o 278.830 8.5164  9444.79    576.180  9393.51    833.598  9491.70    797.297  277.866 12.364  279.352 11.763  -1.485718      17.06536 
1 1 1 -7  0   12 o 272.268 8.3566  9004.80    552.064  8996.44    799.549  9012.41    763.193  271.954 12.117  272.228 11.554  -0.2736511     16.74258 
1 1 1 -7  0   13 o 410.323 11.612  20474.85   1156.08  21642.04   1654.81  19362.11   1615.76  421.384 16.185  398.510 16.710  22.87396       23.26303 
1 1 1 -7  0   14 o 368.286 7.6616  16472.21   684.646  16474.15   969.101  16470.28   967.373  368.118 10.850  368.076 10.832  0.4199219E-01  15.33102 
1 1 1 -7  0   15 o 518.728 10.378  32706.48   1306.18  32572.60   1848.24  32840.07   1846.20  517.171 14.729  519.300 14.652  -2.129211      20.77523 
1 1 1 -7  0   16 o 724.704 14.114  63942.22   2481.85  63620.62   3511.06  64263.39   3508.68  721.586 20.053  725.252 19.938  -3.665405      28.27856 
1 1 1 -7  0   17 o 312.518 6.8717  11859.23   521.075  11758.04   738.136  11959.76   735.692  311.044 9.7802  313.708 9.6651  -2.663147      13.75019 
1 1 1 -7  0   18 f 208.500 4.7722  5276.35    241.429  5313.47    342.472  5239.68    340.401  209.187 6.7473  207.729 6.7535  1.457687       9.546485 
1 1 1 -7  0   19 o 128.132 3.9979  1992.47    124.295  2102.00    177.052  1886.03    174.535  131.587 5.5453  124.641 5.7711  6.946617       8.003485 
1 1 1 -7  0   20 o 302.861 6.5736  11138.88   483.069  11100.48   684.691  11176.93   681.644  302.190 9.3379  303.233 9.2644  -1.043488      13.15393 
1 1 1 -7  0   21 o 96.827  3.6718  1137.82    86.266   1138.82    122.785  1136.84    121.227  96.709  5.2522  96.629  5.1894  0.7978821E-01  7.383512 
1 1 1 -7  0   22 o 234.261 5.2333  6663.40    297.468  6588.09    422.159  6737.66    419.223  232.833 7.4725  235.468 7.3375  -2.635345      10.47273 
1 1 1 -7  0   23 o 296.671 6.3427  10694.15   456.576  10354.77   647.376  11030.02   644.030  291.686 9.1470  301.080 8.8158  -9.394348      12.70373 
1 1 1 -7  0   24 o 101.668 3.7180  1254.84    91.719   1299.13    130.922  1212.15    128.533  103.282 5.2415  99.748  5.3299  3.533501       7.475353 
1 1 1 -7  0   25 o 300.821 6.5209  11005.03   475.970  10876.86   675.045  11131.75   671.216  298.692 9.3142  302.197 9.1540  -3.504730      13.05944 
1 1 1 -7  0   26 o 24.488  7.5921  72.592     49.788   25.734     65.105   138.594    77.268   21.027  8.4154  33.229  9.2454  -12.20245      12.50186 
1 1 1 -7  0   27 o 65.560  5.1566  525.614    81.367   452.754    103.428  643.934    131.802  60.563  7.1779  72.314  7.6267  -11.75093      10.47324 
1 1 1 -7  0   28 o 514.958 15.016  32658.49   1876.27  35140.41   2631.47  30091.91   2675.97  530.812 20.431  489.774 22.518  41.03726       30.40516 
1 1 1 -7  0   29 o 83.449  3.6128  845.581    73.152   737.156    103.697  952.992    103.211  77.674  5.5383  88.429  4.8285  -10.75526      7.347607 
1 1 1 -7  0   30 o 49.331  4.1832  297.701    49.599   242.243    69.744   354.450    70.550   44.118  6.7282  53.719  5.4898  -9.601295      8.683632 
1 1 1 -7  0   31 o 116.946 3.8857  1660.94    110.260  1576.75    156.685  1743.53    155.188  113.877 5.6706  119.763 5.3404  -5.885918      7.789445 
1 1 1 -7  0   32 o 54.386  4.4872  361.808    58.686   305.234    80.823   424.900    85.352   49.603  6.9023  58.792  6.0706  -9.188881      9.192061 
1 1 1 -7  0   33 o 53.347  4.5457  348.312    58.279   368.300    81.765   327.671    83.088   54.660  6.2790  51.433  6.8264  3.226532       9.275045 
1 1 1 -7  0   34 o 277.506 8.6477  9400.45    582.284  10031.27   862.304  8871.72    789.456  285.731 12.438  268.799 12.104  16.93170       17.35534 
1 1 1 -7  0   35 o 94.542  5.8731  1092.00    134.061  1008.90    230.316  1134.57    164.869  90.095  10.748  96.221  7.1120  -6.126266      12.88777 
1 1 1 -7  0   36 o 252.523 6.4842  7771.13    397.303  7848.00    493.784  7630.01    669.080  253.467 8.0288  249.155 11.067  4.311386       13.67291 
1 1 1 -7  0   37 o 185.945 4.8537  4207.44    218.989  4179.71    312.501  4234.21    306.968  185.037 6.9603  186.266 6.7919  -1.229889      9.725049 
1 1 1 -7  0   38 o 23.443  6.5703  68.978     38.875   60.252     55.644   77.298     54.334   23.336  8.0719  25.270  7.9470  -1.934450      11.32746 
1 1 1 -7  0   39 o 136.343 4.2273  2262.72    139.850  2282.56    200.753  2244.02    194.931  136.703 6.0523  135.563 5.9262  1.140274       8.470556 
1 1 1 -7  0   40 o 143.814 4.3211  2519.41    150.785  2717.79    215.993  2330.83    210.593  149.094 5.9706  138.014 6.2886  11.07956       8.671488 
1 1 1 -7  0   41 o 195.914 6.7223  4709.46    319.556  4709.46    319.556  0.0000     0.0000   195.914 6.7223  ?       ?       0.000000       6.722282 
1 1 1 -7  0   42 o 95.489  5.6879  1120.21    131.188  1120.21    131.188  0.0000     0.0000   95.489  5.6879  ?       ?       0.000000       5.687866 
1 1 1 -7  0   43 o 103.015 3.8741  1293.48    96.835   1253.73    139.044  1330.92    134.938  100.991 5.6975  104.140 5.3583  -3.148804      7.821274 
1 1 1 -7  0   44 o 138.541 4.2352  2342.48    142.370  2355.29    203.717  2330.24    199.046  138.489 6.0624  137.781 5.9539  0.7089691      8.497178 
1 1 1 -7  0   45 o 116.692 5.3511  1668.52    151.513  1532.12    193.348  1885.55    243.892  111.154 7.2078  122.970 8.2214  -11.81638      10.93356 
1 1 1 -7  0   46 o 121.734 5.3727  1817.15    158.699  1621.50    202.538  2128.29    255.419  114.248 7.3451  130.635 8.0979  -16.38695      10.93285 
1 1 1 -7  0   47 o 52.326  5.5119  339.802    68.929   312.505    82.397   403.434    125.805  49.804  7.0125  55.929  9.6170  -6.124943      11.90223 
1 1 1 -7  0   48 o 101.380 4.1080  1256.24    101.052  1284.25    142.373  1227.81    143.451  101.978 5.7776  99.648  5.9603  2.329750       8.300920 
1 1 1 -7  0   49 o 56.608  6.3930  401.297    86.272   0.0000     0.0000   401.297    86.272   ?       ?       56.608  6.3930  0.000000       6.392989 
1 1 1 -7  0   50 o 135.344 6.2086  2268.95    203.891  0.0000     0.0000   2268.95    203.891  ?       ?       135.344 6.2086  0.000000       6.208645 
1 1 1 -7  0   51 o 19.669  8.0410  20.293     60.896   -67.0700   199.436  29.275     63.950   29.080  13.163  20.799  8.3347  8.280973       15.58014 
1 1 1 -7  0   52 o 27.023  7.4611  94.664     50.532   74.745     69.663   116.783    73.409   25.513  9.0174  30.061  9.2022  -4.547791      12.88385 
1 1 1 -7  0   53 o 76.655  4.3223  724.157    80.066   789.443    114.865  662.458    111.665  79.488  5.9997  72.630  6.4018  6.858711       8.773808 
1 1 1 -7  0   54 o 40.923  5.7022  211.435    55.082   280.176    79.613   148.313    76.289   46.723  7.2580  33.447  9.1401  13.27544       11.67131 
1 1 1 -7  0   55 o 29.147  8.5460  110.580    64.358   -144.6612  224.416  133.453    67.180   28.455  13.267  31.823  8.5276  -3.367668      15.77100 
1 1 1 -7  0   56 o 21.594  7.1337  56.352     43.443   3.4212     63.471   103.004    59.587   18.641  7.9527  28.170  8.2129  -9.528511      11.43228 
1 1 1 -7  0   57 o 58.904  5.0669  431.690    71.714   693.660    96.809   113.115    106.757  74.659  5.3801  30.912  11.137  43.74779       12.36885 
1 1 1 -7  0   58 o 31.633  6.9354  130.500    51.765   150.073    68.135   103.781    79.609   33.623  8.3812  28.756  9.6610  4.866364       12.78988 
1 1 1 -7  1   1  o 155.529 7.8446  2945.97    295.083  2945.97    295.083  0.0000     0.0000   155.529 7.8446  ?       ?       0.000000       7.844607 
1 1 1 -7  1   2  o 447.715 12.800  24405.21   1390.48  24749.45   1947.97  24047.62   1985.42  450.110 17.836  443.576 18.447  6.534027       25.65952 
1 1 1 -7  1   3  o 90.175  3.2862  986.755    71.902   999.266    101.549  974.177    101.820  90.616  4.6341  89.464  4.7071  1.152275       6.605410 
1 1 1 -7  1   4  o 442.207 8.9067  23764.79   955.664  23585.77   1351.37  23943.89   1351.66  440.152 12.653  443.493 12.561  -3.340179      17.82922 
1 1 1 -7  1   5  o 153.353 4.0071  2854.10    149.103  2757.98    210.647  2950.60    211.079  150.721 5.7599  155.899 5.5800  -5.177979      8.019588 
1 1 1 -7  1   6  o 295.267 6.2153  10585.61   445.288  10824.79   629.664  10346.33   629.800  298.469 8.6945  291.787 8.8956  6.681641       12.43888 
1 1 1 -7  1   7  o 246.458 5.4831  7373.69    327.896  7293.26    463.689  7454.13    463.740  245.033 7.7990  247.724 7.7151  -2.690826      10.97027 
1 1 1 -7  1   8  o 207.829 4.8759  5242.64    245.882  5035.62    347.713  5449.70    347.745  203.632 7.0374  211.847 6.7651  -8.214844      9.761714 
1 1 1 -7  1   9  o 252.515 5.5874  7740.51    342.345  8182.29    484.203  7298.92    484.095  259.552 7.6885  245.124 8.1392  14.42776       11.19637 
1 1 1 -7  1   10 o 670.934 18.658  54967.66   3037.43  54902.38   4315.77  55031.75   4275.67  668.307 26.615  669.186 26.333  -0.8789673     37.43974 
1 1 1 -7  1   11 o 460.130 12.830  25762.74   1432.40  27599.46   2046.08  23997.33   2005.96  475.605 17.730  443.350 18.647  32.25491       25.73078 
1 1 1 -7  1   12 o 89.621  4.8831  977.738    105.785  1005.71    165.323  958.346    137.654  90.685  7.5830  88.611  6.4465  2.074089       9.952806 
1 1 1 -7  1   13 o 615.932 12.114  46144.65   1810.45  46144.45   2560.77  46144.85   2559.97  615.133 17.157  615.137 17.151  -0.3662109E-02 24.25952 
1 1 1 -7  1   14 o 139.621 3.8010  2365.62    128.768  2351.58    182.420  2379.58    181.792  139.188 5.4014  140.015 5.3510  -0.8267822     7.603201 
1 1 1 -7  1   15 o 543.310 10.667  35883.86   1406.17  35166.76   1989.43  36599.79   1987.81  537.291 15.260  548.174 14.945  -10.88367      21.35923 
1 1 1 -7  1   16 o 523.260 10.498  33283.37   1332.85  33351.34   1885.96  33215.54   1883.93  523.276 14.854  522.207 14.868  1.068359       21.01658 
1 1 1 -7  1   17 o 98.999  3.6712  1189.34    88.187   901.477    125.282  1472.05    124.155  85.959  6.0451  110.130 4.6462  -24.17104      7.624290 
1 1 1 -7  1   18 o 414.827 8.3799  20905.90   843.468  20933.99   1194.17  20877.93   1191.52  414.818 11.864  414.263 11.854  0.5547791      16.77137 
1 1 1 -7  1   19 o 594.994 11.675  43074.61   1685.48  43003.81   2385.17  43145.23   2382.10  593.633 16.559  594.619 16.510  -0.9854126     23.38371 
1 1 1 -7  1   20 o 424.790 8.8467  21932.81   911.842  21887.47   1291.17  21977.92   1287.92  423.950 12.552  424.833 12.494  -0.8823853     17.71015 
1 1 1 -7  1   21 o 438.580 8.9983  23388.71   957.571  23549.55   1356.00  23228.70   1352.43  439.595 12.713  436.582 12.767  3.013245       18.01693 
1 1 1 -7  1   22 o 214.794 5.2945  5602.65    275.937  5694.93    391.805  5511.83    388.681  216.454 7.4600  212.942 7.5226  3.511490       10.59442 
1 1 1 -7  1   23 o 292.433 6.4478  10393.30   457.513  10080.17   648.677  10703.26   645.378  287.721 9.2916  296.517 8.9702  -8.795898      12.91505 
1 1 1 -7  1   24 o 65.517  3.8280  522.935    60.589   478.211    86.896   565.252    84.525   62.461  5.7997  68.016  5.1601  -5.554821      7.762951 
1 1 1 -7  1   25 o 75.135  5.0706  689.062    91.900   578.028    118.121  859.349    146.282  68.542  7.2106  83.715  7.2739  -15.17275      10.24215 
1 1 1 -7  1   26 o 97.700  5.1077  1163.21    120.662  1082.94    159.097  1271.92    185.131  94.064  7.0213  101.921 7.5395  -7.857101      10.30255 
1 1 1 -7  1   27 o 90.556  5.2144  999.993    114.089  1104.35    148.722  850.752    177.848  95.054  6.4870  83.038  8.9693  12.01533       11.06933 
1 1 1 -7  1   28 o 404.291 8.3700  19922.67   821.077  19887.00   1163.46  19958.07   1158.91  402.972 11.899  403.713 11.831  -0.7410889     16.77959 
1 1 1 -7  1   29 o 175.459 4.4067  3739.79    187.610  3708.43    267.078  3770.34    263.596  174.603 6.3041  176.064 6.1703  -1.461212      8.821205 
1 1 1 -7  1   30 o 134.601 4.1229  2200.55    134.651  2140.38    191.877  2258.95    189.007  132.664 5.9608  136.303 5.7149  -3.638351      8.257809 
1 1 1 -7  1   31 o 15.967  6.3128  16.656     36.212   40.574     49.227   -11.5462   53.456   20.517  7.5368  16.346  7.1358  4.171951       10.37899 
1 1 1 -7  1   32 o 55.370  4.2635  374.652    56.840   358.895    80.424   390.377    80.344   53.953  6.2597  56.338  5.9684  -2.385235      8.649018 
1 1 1 -7  1   33 o 106.336 5.8639  1379.68    150.711  1387.87    252.132  1375.13    187.993  106.094 9.9090  105.986 7.3557  0.1077194      12.34080 
1 1 1 -7  1   34 o 163.313 6.5835  3247.97    260.881  2902.61    407.925  3486.98    339.351  153.483 11.027  169.031 8.2741  -15.54796      13.78609 
1 1 1 -7  1   35 o 165.397 6.5201  3332.84    261.666  3362.64    411.278  3312.58    339.164  165.305 10.305  164.432 8.5301  0.8736267      13.37753 
1 1 1 -7  1   36 o 256.330 5.7996  8002.79    360.715  8046.79    513.156  7959.80    507.154  256.520 8.2445  255.143 8.1920  1.377533       11.62245 
1 1 1 -7  1   37 o 69.219  3.9660  584.475    66.332   604.254    93.904   564.777    93.712   70.203  5.5581  67.831  5.7478  2.372208       7.995657 
1 1 1 -7  1   38 o 112.303 3.9932  1534.24    108.813  1513.27    155.956  1554.12    151.894  111.218 5.7992  112.887 5.5454  -1.669075      8.023884 
1 1 1 -7  1   39 o 252.038 5.8363  7759.61    356.920  7877.88    508.181  7644.47    501.408  253.080 8.2755  249.297 8.2892  3.782974       11.71301 
1 1 1 -7  1   40 o 144.313 5.9881  2547.98    209.681  2547.98    209.681  0.0000     0.0000   144.313 5.9881  ?       ?       0.000000       5.988086 
1 1 1 -7  1   41 o 117.396 5.8156  1687.20    165.658  1687.20    165.658  0.0000     0.0000   117.396 5.8156  ?       ?       0.000000       5.815614 
1 1 1 -7  1   42 o 65.206  3.9673  520.156    62.471   434.247    89.027   603.493    87.684   59.155  6.2994  70.059  5.1951  -10.90387      8.165261 
1 1 1 -7  1   43 o 38.797  4.8223  186.753    44.417   212.768    61.545   158.473    64.168   41.145  6.3706  35.141  7.7352  6.003880       10.02086 
1 1 1 -7  1   44 o 94.788  3.9234  1095.75    90.236   1040.39    128.799  1149.12    126.459  91.900  5.8059  96.694  5.4117  -4.793701      7.936915 
1 1 1 -7  1   45 o 25.443  7.2309  82.071     46.745   123.067    53.241   -55.8672   97.659   30.956  7.2205  20.070  9.1343  10.88649       11.64348 
1 1 1 -7  1   46 o 40.857  6.1274  209.796    58.872   189.761    70.319   256.748    107.650  38.441  7.8055  44.284  10.225  -5.843170      12.86392 
1 1 1 -7  1   47 o 55.250  4.4955  375.910    59.744   329.350    90.768   411.501    79.359   50.978  7.5679  57.563  5.7591  -6.584946      9.510041 
1 1 1 -7  1   48 o 87.486  6.0173  948.548    126.957  0.0000     0.0000   948.548    126.957  ?       ?       87.486  6.0173  0.000000       6.017324 
1 1 1 -7  1   49 o 57.897  6.6062  420.871    91.144   0.0000     0.0000   420.871    91.144   ?       ?       57.897  6.6062  0.000000       6.606246 
1 1 1 -7  1   50 o 48.495  7.2087  299.547    82.244   -120.2144  206.090  379.060    89.696   28.044  12.949  54.760  6.9041  -26.71601      14.67499 
1 1 1 -7  1   51 o 31.891  8.8662  133.442    71.088   -52.7700   196.620  161.444    76.246   29.263  13.174  34.962  8.9499  -5.698456      15.92658 
1 1 1 -7  1   52 o 69.616  4.3958  597.834    73.872   579.838    105.091  615.411    103.860  67.914  6.4550  70.086  6.1703  -2.172279      8.929730 
1 1 1 -7  1   53 o 14.844  6.3885  -1.8623    41.616   -30.1214   59.910   24.487     57.850   15.915  7.2083  19.587  7.8995  -3.671618      10.69405 
1 1 1 -7  1   54 o 22.957  8.4182  55.987     61.375   240.434    200.872  36.995     64.457   42.511  15.282  21.456  8.4416  21.05540       17.45810 
1 1 1 -7  1   55 o 43.632  5.4368  239.024    56.311   257.865    80.062   220.578    79.216   44.659  7.6645  41.045  8.2405  3.614170       11.25387 
1 1 1 -7  1   56 f 32.871  6.8117  139.970    52.543   199.888    66.970   44.024     84.744   39.298  7.2918  24.053  9.6102  15.24458       12.06347 
1 1 1 -7  1   57 o 28.101  7.4991  103.322    52.083   118.936    67.065   79.593     82.674   30.081  8.6965  26.720  9.7744  3.361650       13.08315 
1 1 1 -7  2   1  o 31.208  4.9668  121.159    36.350   135.234    46.156   98.173     58.985   32.861  6.0103  28.153  8.1607  4.707542       10.13508 
1 1 1 -7  2   2  o 648.745 12.693  51237.70   1998.05  50841.99   2824.99  51633.79   2826.35  645.094 18.048  650.131 17.917  -5.036682      25.43114 
1 1 1 -7  2   3  o 642.206 12.604  50207.49   1963.97  50213.06   2776.96  50201.91   2777.98  641.140 17.851  641.067 17.859  0.7324219E-01  25.25064 
1 1 1 -7  2   4  o 32.759  3.5336  131.751    27.643   148.952    38.843   114.098    39.348   34.711  4.7355  30.178  5.5792  4.532455       7.317939 
1 1 1 -7  2   5  o 384.213 7.9639  17933.16   742.441  18112.18   1049.85  17754.05   1050.09  385.873 11.213  382.029 11.328  3.844391       15.93929 
1 1 1 -7  2   6  o 789.301 15.371  75947.88   2943.84  76170.61   4163.13  75725.13   4163.31  788.553 21.758  786.221 21.824  2.332092       30.81722 
1 1 1 -7  2   7  o 305.171 6.3891  11307.69   473.096  10906.19   668.996  11709.34   669.122  299.573 9.2036  310.426 8.8835  -10.85239      12.79148 
1 1 1 -7  2   8  o 748.497 14.607  68251.68   2652.88  67977.98   3751.78  68525.37   3751.70  745.430 20.743  748.450 20.659  -3.020386      29.27524 
1 1 1 -7  2   9  o 465.345 13.146  26356.93   1484.33  26858.86   2118.23  25872.67   2080.60  468.991 18.614  460.298 18.629  8.692932       26.33474 
1 1 1 -7  2   10 f 219.331 7.3395  5842.02    390.597  4991.43    570.447  6592.81    535.942  202.249 11.674  232.922 9.4830  -30.67326      15.04016 
1 1 1 -7  2   11 o 625.185 17.296  47674.30   2623.78  48962.57   3730.88  46413.70   3690.61  631.921 24.332  615.148 24.726  16.77374       34.69064 
1 1 1 -7  2   12 o 223.934 7.0990  6089.20    385.730  6892.33    564.917  5387.71    527.965  238.149 9.7762  210.535 10.335  27.61391       14.22638 
1 1 1 -7  2   13 o 400.369 8.2069  19470.08   797.263  19204.37   1127.72  19735.60   1127.28  397.385 11.696  402.857 11.532  -5.472107      16.42509 
1 1 1 -7  2   14 o 394.279 8.2058  18882.31   785.037  19262.12   1110.54  18502.95   1109.88  397.997 11.500  390.057 11.727  7.940033       16.42456 
1 1 1 -7  2   15 o 389.159 7.8945  18393.71   745.445  18346.30   1054.74  18441.03   1053.70  388.439 11.191  389.444 11.151  -1.004639      15.79791 
1 1 1 -7  2   16 o 752.936 14.669  69049.55   2679.99  68245.94   3790.75  69852.59   3789.42  747.027 20.913  755.841 20.662  -8.814026      29.39897 
1 1 1 -7  2   17 o 808.365 15.587  79647.78   3057.19  80613.38   4324.52  78683.07   4322.52  811.393 21.966  801.531 22.226  9.861084       31.24841 
1 1 1 -7  2   18 o 359.212 7.4959  15672.54   653.341  15627.32   924.956  15717.56   922.974  358.484 10.634  359.521 10.580  -1.037720      15.00072 
1 1 1 -7  2   19 o 374.212 7.7985  17012.54   708.100  17287.71   1002.74  16738.84   1000.07  376.972 10.963  370.926 11.112  6.046417       15.60928 
1 1 1 -7  2   20 o 491.108 10.052  29337.74   1197.88  29293.26   1695.65  29382.05   1692.48  490.087 14.259  490.839 14.211  -0.7510071     20.13148 
1 1 1 -7  2   21 o 300.185 6.6421  10947.37   483.790  10956.20   685.869  10938.63   682.507  300.098 9.4192  299.861 9.3805  0.2373657      13.29340 
1 1 1 -7  2   22 o 424.977 8.7964  21976.90   907.053  22362.62   1284.74  21593.52   1280.80  428.065 12.369  420.603 12.550  7.461975       17.62102 
1 1 1 -7  2   23 o 232.108 5.3896  6545.15    303.539  6658.22    431.020  6433.90    427.539  233.945 7.5931  229.964 7.6622  3.980438       10.78722 
1 1 1 -7  2   24 o 208.632 4.8693  5287.94    246.498  5282.19    350.227  5293.59    346.997  208.374 6.9269  208.605 6.8555  -0.2304382     9.745761 
1 1 1 -7  2   25 o 244.413 7.6612  7275.05    454.343  6785.41    623.610  7828.99    663.302  235.585 10.909  253.072 10.802  -17.48756      15.35247 
1 1 1 -7  2   26 o 208.127 7.0551  5273.12    356.282  5537.62    485.438  4964.27    524.551  213.005 9.3925  201.204 10.784  11.80106       14.30065 
1 1 1 -7  2   27 o 140.475 5.6033  2399.08    190.988  2172.43    253.630  2695.92    290.255  133.308 7.8762  148.525 8.0845  -15.21765      11.28686 
1 1 1 -7  2   28 o 137.874 4.1161  2308.83    137.700  2282.46    196.276  2334.38    193.234  137.003 5.9044  138.561 5.7475  -1.557907      8.239873 
1 1 1 -7  2   29 o 160.515 4.3963  3129.91    171.223  3098.20    243.819  3160.77    240.508  159.591 6.2964  161.204 6.1488  -1.613251      8.800737 
1 1 1 -7  2   30 o 225.193 5.1687  6163.75    282.421  6623.21    401.736  5714.81    397.112  233.244 7.0985  216.609 7.5557  16.63486       10.36709 
1 1 1 -7  2   31 o 145.042 4.1482  2555.42    145.988  2477.26    208.402  2630.73    204.568  142.710 6.0185  147.081 5.7321  -4.371887      8.311388 
1 1 1 -7  2   32 o 49.003  4.6129  294.372    54.202   338.019    78.646   254.886    74.804   52.327  6.3224  45.219  7.0474  7.108246       9.467758 
1 1 1 -7  2   33 o 263.658 8.4424  8483.66    540.096  8778.35    803.190  8240.42    729.708  267.291 12.384  259.172 11.604  8.119690       16.97103 
1 1 1 -7  2   34 o 126.774 6.0677  1956.52    186.645  1790.71    304.501  2056.30    236.224  120.425 10.527  129.630 7.5429  -9.204445      12.95020 
1 1 1 -7  2   35 o 123.805 5.8827  1866.53    176.719  2454.79    291.908  1526.20    222.028  141.436 8.5461  111.449 8.2695  29.98718       11.89202 
1 1 1 -7  2   36 o 86.331  4.1963  906.279    87.903   837.794    137.850  953.209    114.113  82.554  6.9464  88.315  5.3505  -5.760406      8.768137 
1 1 1 -7  2   37 o 84.922  3.9149  877.040    80.670   887.674    115.945  867.062    112.311  85.142  5.6444  84.159  5.5307  0.9829407      7.902393 
1 1 1 -7  2   38 o 187.811 4.8939  4298.51    223.019  4359.51    318.046  4239.51    312.812  188.712 6.9459  186.102 6.9274  2.610855       9.809884 
1 1 1 -7  2   39 o 73.594  5.7174  665.702    101.293  665.702    101.293  0.0000     0.0000   73.594  5.7174  ?       ?       0.000000       5.717398 
1 1 1 -7  2   40 o 63.363  5.8379  495.350    88.745   495.350    88.745   0.0000     0.0000   63.363  5.8379  ?       ?       0.000000       5.837878 
1 1 1 -7  2   41 o 134.844 4.2321  2217.26    138.469  2287.78    198.258  2150.09    193.480  136.625 5.9805  132.441 6.0207  4.183990       8.486176 
1 1 1 -7  2   42 o 18.707  6.5764  37.974     37.007   94.890     51.310   -23.7302   53.425   27.300  7.5105  15.401  6.9056  11.89916       10.20272 
1 1 1 -7  2   43 o 139.536 4.3122  2376.85    145.998  2356.71    208.504  2396.23    204.500  138.486 6.2051  139.691 6.0334  -1.204895      8.654746 
1 1 1 -7  2   44 o 48.857  5.8404  297.069    67.864   314.301    80.886   256.098    124.722  50.050  6.8395  44.119  11.524  5.930126       13.40121 
1 1 1 -7  2   45 o 49.931  5.5377  309.548    65.961   258.655    78.760   429.083    120.706  45.149  7.4492  58.023  8.8541  -12.87363      11.57089 
1 1 1 -7  2   46 o 50.481  5.5594  316.664    66.967   353.549    79.914   229.682    122.720  53.200  6.3140  41.727  11.666  11.47303       13.26545 
1 1 1 -7  2   47 o 15.422  6.2230  13.329     35.921   -11.5141   46.707   49.295     56.198   15.042  6.6157  21.972  8.0555  -6.929761      10.42396 
1 1 1 -7  2   48 o 107.177 5.9728  1422.45    154.708  0.0000     0.0000   1422.45    154.708  ?       ?       107.177 5.9728  0.000000       5.972793 
1 1 1 -7  2   49 o 34.811  5.7033  153.317    46.504   142.891    61.873   166.853    70.501   33.131  7.8220  35.741  8.2903  -2.609489      11.39787 
1 1 1 -7  2   50 o 83.955  6.4695  881.378    130.773  1178.39    263.505  784.321    150.632  94.155  11.793  78.542  8.0164  15.61246       14.25945 
1 1 1 -7  2   51 o 63.113  6.9357  503.753    104.460  479.462    232.524  509.894    116.922  57.157  16.087  63.173  7.7931  -6.015675      17.87483 
1 1 1 -7  2   52 o 13.352  5.6162  3.4737     30.911   -6.4688    37.495   24.566     54.613   13.684  5.9750  19.189  7.6977  -5.504684      9.744515 
1 1 1 -7  2   53 o 58.045  4.6183  417.309    64.507   364.194    89.149   475.683    93.457   53.464  7.0435  61.459  6.3591  -7.994549      9.489421 
1 1 1 -7  2   54 o 29.268  7.1140  111.660    50.027   200.630    71.502   26.341     70.020   39.234  7.7857  21.190  8.6381  18.04357       11.62897 
1 1 1 -7  2   55 o 11.259  5.3408  -46.6539   39.257   -63.9171   56.931   -31.0039   54.205   13.662  6.4666  14.937  6.8009  -1.274772      9.384528 
1 1 1 -7  2   56 o 70.349  4.7324  612.776    80.311   577.485    106.874  658.554    121.723  67.644  6.5953  72.083  7.0497  -4.438782      9.653852 
1 1 1 -7  2   57 o 27.153  7.7790  96.187     53.880   49.118     67.792   176.914    88.781   22.793  8.7427  36.196  9.8470  -13.40311      13.16811 
1 1 1 -7  3   1  o 579.275 13.225  40860.94   1858.87  40672.23   2280.23  41234.82   3209.60  577.389 16.276  579.811 22.814  -2.422791      28.02466 
1 1 1 -7  3   2  o 93.527  3.3582  1061.48    76.209   1031.67    107.374  1091.75    108.183  92.066  4.8233  94.840  4.7011  -2.773911      6.735370 
1 1 1 -7  3   3  o 575.487 11.391  40289.82   1590.56  39239.64   2248.70  41341.29   2250.09  567.115 16.342  582.186 15.928  -15.07086      22.82029 
1 1 1 -7  3   4  o 277.518 5.9813  9350.67    402.767  9031.61    569.231  9670.54    569.966  272.634 8.6049  282.126 8.3261  -9.492676      11.97363 
1 1 1 -7  3   5  o 630.344 12.489  48358.50   1910.22  48686.50   2701.27  48030.40   2701.65  631.482 17.630  627.185 17.753  4.297180       25.01938 
1 1 1 -7  3   6  o 838.440 16.287  85738.41   3313.46  86357.26   4685.90  85119.54   4685.97  839.258 23.011  833.158 23.180  6.100342       32.66190 
1 1 1 -7  3   7  o 239.226 5.4270  6947.08    315.018  7062.79    445.467  6831.34    445.538  241.143 7.6134  237.155 7.7426  3.988602       10.85872 
1 1 1 -7  3   8  o 811.985 22.209  80738.78   4375.70  84032.27   6207.94  77486.89   6168.61  824.746 31.022  791.462 32.121  33.28418       44.65548 
1 1 1 -7  3   9  o 554.691 15.400  37492.11   2072.67  38834.75   2950.79  36184.53   2912.00  563.348 21.587  543.680 22.074  19.66821       30.87517 
1 1 1 -7  3   10 o 172.942 6.1753  3631.08    259.134  3599.73    383.781  3657.35    351.310  171.873 9.2365  173.517 8.3442  -1.643951      12.44740 
1 1 1 -7  3   11 o 912.500 25.041  102146.60  5544.27  104616.00  7860.99  99702.43   7820.72  918.484 35.273  896.272 35.962  22.21216       50.37299 
1 1 1 -7  3   12 o 508.350 10.068  31407.73   1241.89  31799.55   1756.55  31016.14   1756.04  511.065 14.165  504.708 14.339  6.356567       20.15609 
1 1 1 -7  3   13 o 1085.21 21.182  144008.09  5577.54  142364.80  7887.99  145651.30  7887.68  1074.62 30.251  1087.16 29.902  -12.53174      42.53524 
1 1 1 -7  3   14 o 303.961 6.2677  11216.92   462.261  10714.24   653.798  11719.39   653.674  296.959 9.0737  310.596 8.6736  -13.63687      12.55244 
1 1 1 -7  3   15 o 323.191 6.8385  12683.01   536.273  12334.94   758.573  13030.77   758.238  318.582 9.8132  327.460 9.5430  -8.878082      13.68822 
1 1 1 -7  3   16 o 283.131 6.1005  9732.29    419.099  9968.41    592.998  9496.66    592.394  286.448 8.5318  279.579 8.7326  6.869263       12.20860 
1 1 1 -7  3   17 o 550.216 10.771  36814.13   1437.92  36551.30   2034.03  37076.68   2033.02  547.598 15.308  551.539 15.192  -3.941162      21.56692 
1 1 1 -7  3   18 o 111.795 3.8147  1516.76    103.478  1528.08    146.536  1505.50    146.146  112.193 5.3828  111.361 5.4086  0.8322144      7.630753 
1 1 1 -7  3   19 o 383.859 7.8468  17903.46   730.848  18200.04   1034.62  17608.06   1032.54  386.739 11.025  380.381 11.187  6.358368       15.70718 
1 1 1 -7  3   20 o 224.293 5.3104  6108.29    289.005  6071.21    409.673  6145.03    407.762  223.518 7.5537  224.876 7.4731  -1.358627      10.62570 
1 1 1 -7  3   21 o 246.481 5.6317  7378.96    336.813  7338.30    477.486  7419.22    475.174  245.658 8.0106  247.015 7.9280  -1.356537      11.27047 
1 1 1 -7  3   22 o 146.821 4.1608  2617.24    148.228  2619.97    210.795  2614.57    208.477  146.840 5.9163  146.691 5.8572  0.1492157      8.325237 
1 1 1 -7  3   23 o 137.093 3.9245  2282.06    130.547  2173.81    185.800  2387.60    183.464  133.740 5.7256  140.176 5.3940  -6.436279      7.866245 
1 1 1 -7  3   24 o 126.665 5.4289  1950.07    166.851  1873.00    220.896  2052.45    254.605  123.822 7.3860  129.547 8.1412  -5.724670      10.99237 
1 1 1 -7  3   25 o 119.675 5.2913  1740.88    153.648  1525.56    202.247  2034.77    236.285  111.674 7.5076  129.035 7.5801  -17.36082      10.66874 
1 1 1 -7  3   26 o 358.821 10.664  15741.12   928.456  16170.08   1291.48  15282.28   1335.70  362.433 14.686  352.003 15.639  10.43054       21.45321 
1 1 1 -7  3   27 o 77.599  3.7962  731.252    71.477   741.906    102.316  721.096    99.894   77.933  5.4450  76.833  5.3925  1.100677       7.663312 
1 1 1 -7  3   28 o 252.655 5.6736  7761.22    347.817  7755.20    493.793  7767.14    490.003  252.279 8.0668  252.482 7.9984  -0.2033997     11.35991 
1 1 1 -7  3   29 o 191.748 4.7556  4467.56    221.259  4388.39    314.547  4545.10    311.294  189.886 6.8270  193.263 6.6383  -3.377487      9.522328 
1 1 1 -7  3   30 o 171.246 4.4573  3562.77    185.205  3591.74    264.585  3534.95    259.334  171.817 6.3465  170.459 6.2701  1.357834       8.921461 
1 1 1 -7  3   31 o 54.876  4.2261  367.994    55.839   304.334    81.074   425.444    77.018   49.520  6.9379  58.903  5.4506  -9.383209      8.822885 
1 1 1 -7  3   32 o 253.732 8.2435  7853.18    507.518  7964.67    756.043  7761.74    684.724  254.697 12.234  251.670 11.213  3.026596       16.59500 
1 1 1 -7  3   33 o 187.121 6.9057  4265.95    313.542  4290.85    483.079  4247.82    412.149  186.819 10.701  186.433 9.1110  0.3866577      14.05465 
1 1 1 -7  3   34 o 109.920 5.8128  1474.92    154.482  1661.96    263.005  1376.40    190.879  116.151 9.4130  105.955 7.4725  10.19551       12.01843 
1 1 1 -7  3   35 o 149.582 4.2388  2720.40    153.846  3037.68    220.530  2419.59    214.729  157.921 5.7552  140.889 6.2813  17.03279       8.519267 
1 1 1 -7  3   36 o 213.146 5.2188  5533.54    269.905  5493.29    383.942  5572.86    379.504  211.934 7.4662  213.495 7.3260  -1.561172      10.46014 
1 1 1 -7  3   37 o 98.014  3.8802  1168.54    92.280   1151.24    132.174  1185.00    128.896  96.983  5.6411  98.432  5.4177  -1.449661      7.821374 
1 1 1 -7  3   38 o 52.575  4.2608  338.787    53.887   438.789    75.915   237.229    76.503   59.737  5.2922  43.361  7.5455  16.37646       9.216388 
1 1 1 -7  3   39 o 106.697 5.6287  1395.41    145.205  1395.41    145.205  0.0000     0.0000   106.697 5.6287  ?       ?       0.000000       5.628673 
1 1 1 -7  3   40 o 57.165  6.0821  404.834    83.066   404.834    83.066   0.0000     0.0000   57.165  6.0821  ?       ?       0.000000       6.082072 
1 1 1 -7  3   41 o 126.719 4.6687  1961.00    143.550  1974.57    181.510  1938.35    234.562  126.910 5.8944  125.033 7.7700  1.876106       9.752833 
1 1 1 -7  3   42 o 49.903  4.3248  306.213    51.849   238.734    72.621   376.377    74.052   43.459  7.1344  55.138  5.6133  -11.67913      9.077963 
1 1 1 -7  3   43 o 145.692 4.3704  2592.14    154.497  2637.56    221.003  2548.74    216.064  146.473 6.2184  143.996 6.1840  2.476852       8.769818 
1 1 1 -7  3   44 o 126.690 5.6640  1970.00    174.112  1938.50    221.804  2020.57    281.044  124.980 7.3465  126.813 9.1962  -1.833672      11.77030 
1 1 1 -7  3   45 o 95.233  5.3634  1116.08    123.430  1119.94    153.188  1108.93    208.401  95.029  6.6862  93.621  9.2970  1.407310       11.45163 
1 1 1 -7  3   46 o 45.319  4.7441  254.229    51.393   310.339    72.492   197.530    72.872   49.822  6.1257  39.161  7.9407  10.66054       10.02887 
1 1 1 -7  3   47 o 48.174  7.1522  294.162    81.064   0.0000     0.0000   294.162    81.064   ?       ?       48.174  7.1522  0.000000       7.152205 
1 1 1 -7  3   48 o 36.031  8.2243  169.210    70.319   0.0000     0.0000   169.210    70.319   ?       ?       36.031  8.2243  0.000000       8.224330 
1 1 1 -7  3   49 o 26.808  8.8172  88.341     66.393   -28.6670   184.104  105.833    71.182   29.273  12.992  28.897  9.0975  0.3763218      15.86038 
1 1 1 -7  3   50 o 12.937  6.1452  -62.7749   52.309   69.689     165.076  -77.5604   55.151   31.956  13.172  12.779  6.1349  19.17751       14.53039 
1 1 1 -7  3   51 o 37.060  8.0337  179.972    70.158   171.477    205.217  181.097    74.656   38.984  15.141  37.061  8.4850  1.923828       17.35658 
1 1 1 -7  3   52 o 47.252  4.8801  278.137    55.146   255.575    71.992   310.173    85.786   44.709  6.8550  49.144  7.4257  -4.435101      10.10604 
1 1 1 -7  3   53 o 20.781  6.5789  53.406     37.183   66.212     46.667   31.141     61.534   23.089  7.3767  20.611  8.2037  2.478804       11.03252 
1 1 1 -7  3   54 o 38.490  7.7925  193.284    70.280   -2.8889    221.113  215.329    74.123   32.445  14.327  40.678  7.7935  -8.232998      16.30917 
1 1 1 -7  3   55 o 59.475  4.9718  439.533    71.090   446.727    95.205   430.466    106.878  59.395  6.7246  57.876  7.8102  1.518353       10.30629 
1 1 1 -7  3   56 o 58.091  5.0601  420.327    70.612   465.318    93.313   360.044    108.013  60.676  6.4364  52.362  8.8147  8.314568       10.91451 
1 1 1 -7  4   1  o 474.240 9.3814  27335.29   1079.52  27075.79   1525.62  27595.49   1527.73  471.545 13.334  476.063 13.226  -4.518188      18.78067 
1 1 1 -7  4   2  o 463.875 9.1467  26151.04   1029.51  25342.58   1455.17  26961.22   1456.71  456.227 13.145  470.620 12.757  -14.39319      18.31753 
1 1 1 -7  4   3  o 258.232 5.5684  8095.28    348.906  8246.38    492.836  7943.45    494.021  260.551 7.7955  255.714 7.9621  4.837265       11.14294 
1 1 1 -7  4   4  o 269.056 5.8785  8788.71    383.771  8902.48    542.169  8674.47    543.300  270.699 8.2544  267.205 8.3798  3.494690       11.76244 
1 1 1 -7  4   5  o 357.665 7.4622  15537.04   647.597  15288.71   915.465  15785.78   916.216  354.592 10.640  360.322 10.480  -5.730377      14.93435 
1 1 1 -7  4   6  o 478.028 9.4606  27771.64   1097.33  28181.45   1551.68  27361.64   1552.03  481.133 13.291  474.058 13.493  7.074768       18.93995 
1 1 1 -7  4   7  o 392.656 11.156  18749.40   1062.89  19978.94   1522.11  17579.26   1484.89  404.881 15.494  379.717 16.116  25.16373       22.35611 
1 1 1 -7  4   8  o 536.816 15.074  35109.21   1963.47  35164.03   2796.68  35055.91   2757.28  536.067 21.501  535.300 21.229  0.7671509      30.21497 
1 1 1 -7  4   9  o 792.435 21.743  76839.85   4180.70  79136.62   5932.94  74574.59   5892.08  800.874 30.531  777.139 31.247  23.73462       43.68649 
1 1 1 -7  4   10 f 560.880 15.620  38332.85   2125.71  39187.00   3026.69  37501.45   2986.12  565.873 22.044  553.528 22.233  12.34503       31.30889 
1 1 1 -7  4   11 o 246.827 5.5026  7395.26    329.551  7392.06    466.253  7398.45    465.859  246.707 7.7889  246.814 7.7789  -0.1070251     11.00812 
1 1 1 -7  4   12 o 464.761 9.3847  26246.37   1058.32  27132.78   1497.04  25360.79   1496.33  472.199 13.066  456.472 13.510  15.72708       18.79461 
1 1 1 -7  4   13 o 465.897 9.4059  26375.29   1063.29  26032.80   1504.08  26717.46   1503.37  462.487 13.403  468.550 13.223  -6.062103      18.82828 
1 1 1 -7  4   14 o 404.496 8.0434  19873.38   789.435  19562.85   1116.82  20183.48   1116.03  401.080 11.476  407.408 11.290  -6.328094      16.09833 
1 1 1 -7  4   15 o 572.272 11.284  39826.89   1566.83  39399.09   2216.09  40254.50   2215.57  568.495 16.066  574.663 15.889  -6.168518      22.59599 
1 1 1 -7  4   16 o 493.834 9.8029  29642.99   1174.62  29553.95   1661.46  29731.97   1660.87  492.619 13.900  494.107 13.853  -1.487762      19.62453 
1 1 1 -7  4   17 o 945.341 18.256  109192.20  4187.54  108842.20  5922.39  109542.10  5921.75  940.436 25.954  943.500 25.867  -3.063965      36.64293 
1 1 1 -7  4   18 o 725.185 14.117  64103.68   2483.94  63047.21   3513.13  65159.80   3512.52  717.422 20.182  729.459 19.845  -12.03619      28.30416 
1 1 1 -7  4   19 f 145.350 4.1381  2564.29    145.941  2598.19    206.890  2530.72    205.899  146.274 5.8292  144.361 5.8781  1.913116       8.278396 
1 1 1 -7  4   20 o 386.809 7.9164  18189.97   743.000  17858.32   1051.35  18520.88   1050.17  382.850 11.318  389.919 11.100  -7.068909      15.85236 
1 1 1 -7  4   21 o 377.784 7.7204  17357.56   707.697  17036.93   1001.77  17676.99   999.898  373.800 11.045  380.795 10.822  -6.995026      15.46302 
1 1 1 -7  4   22 o 106.248 3.7594  1370.51    96.917   1334.34    137.894  1405.82    136.243  104.654 5.4492  107.572 5.2198  -2.918480      7.545846 
1 1 1 -7  4   23 o 42.258  4.4943  219.360    45.375   231.426    65.235   208.051    63.156   43.154  6.4262  40.844  6.5976  2.310265       9.210035 
1 1 1 -7  4   24 o 23.424  7.7924  63.111     51.802   77.011     62.222   31.716     93.512   25.797  8.5382  24.806  10.030  0.9907646      13.17185 
1 1 1 -7  4   25 o 149.628 5.9783  2722.88    217.047  3042.40    289.025  2309.64    328.689  158.049 7.5366  137.157 9.9441  20.89229       12.47740 
1 1 1 -7  4   26 o 288.909 8.8754  10180.35   622.173  10261.33   858.690  10090.84   902.732  289.367 12.230  286.773 12.973  2.593781       17.82923 
1 1 1 -7  4   27 o 276.767 6.0940  9316.44    409.243  9193.55    580.566  9437.81    576.964  274.578 8.7141  278.229 8.5464  -3.650757      12.20559 
1 1 1 -7  4   28 o 349.797 7.3821  14899.82   626.556  14535.86   888.094  15260.50   884.086  344.817 10.615  353.384 10.311  -8.566589      14.79797 
1 1 1 -7  4   29 o 250.511 6.3881  7635.36    388.293  7370.29    656.087  7778.26    481.717  245.432 11.017  252.659 7.8577  -7.226532      13.53213 
1 1 1 -7  4   30 o 121.128 4.4227  1782.58    129.986  1747.26    211.391  1804.05    164.831  119.552 7.3226  121.804 5.5772  -2.252754      9.204620 
1 1 1 -7  4   31 o 236.296 5.5841  6790.54    320.165  7256.10    455.400  6335.54    450.207  243.996 7.6921  227.931 8.1404  16.06523       11.19974 
1 1 1 -7  4   32 f 37.119  7.7937  174.305    67.961   -134.4499  152.117  251.300    75.963   23.673  10.999  44.854  7.2251  -21.18067      13.15963 
1 1 1 -7  4   33 o 198.072 7.1244  4782.94    342.402  4781.21    524.291  4784.23    452.139  197.077 11.008  197.739 9.4236  -0.6620941     14.49072 
1 1 1 -7  4   34 o 53.916  6.7402  359.903    86.250   346.710    170.104  364.469    100.067  51.968  13.403  54.072  7.8570  -2.103565      15.53597 
1 1 1 -7  4   35 o 160.423 4.4588  3130.62    173.561  3147.88    248.171  3114.10    242.821  160.641 6.3669  159.791 6.2628  0.8503113      8.930868 
1 1 1 -7  4   36 o 57.703  4.1610  407.170    57.867   478.239    82.403   338.021    81.282   62.393  5.4992  52.200  6.5624  10.19302       8.561924 
1 1 1 -7  4   37 o 142.350 4.2658  2467.04    147.340  2472.56    210.257  2461.73    206.534  142.250 6.0916  141.954 5.9962  0.2960815      8.547682 
1 1 1 -7  4   38 o 126.469 5.8917  1955.72    180.795  1955.72    180.795  0.0000     0.0000   126.469 5.8917  ?       ?       0.000000       5.891665 
1 1 1 -7  4   39 o 149.715 6.2510  2747.02    227.079  2747.02    227.079  0.0000     0.0000   149.715 6.2510  ?       ?       0.000000       6.250985 
1 1 1 -7  4   40 o 108.766 4.0446  1442.09    106.740  1455.95    151.997  1428.61    149.931  108.870 5.7746  107.846 5.7504  1.024467       8.149368 
1 1 1 -7  4   41 o 63.623  4.1043  495.756    63.023   513.006    90.447   479.476    87.865   64.419  5.8503  62.254  5.8867  2.165287       8.299338 
1 1 1 -7  4   42 o 75.940  3.9753  705.284    72.994   698.969    103.951  711.427    102.522  75.273  5.7346  75.973  5.6010  -0.7002869     8.016075 
1 1 1 -7  4   43 o 88.130  5.2622  954.878    112.012  924.928    138.602  1011.27    190.187  86.388  6.6637  89.654  8.8586  -3.265488      11.08512 
1 1 1 -7  4   44 o 27.620  7.5318  97.614     51.868   84.155     61.099   132.335    98.134   26.261  8.4460  32.769  10.717  -6.508070      13.64495 
1 1 1 -7  4   45 o 125.752 5.8018  1945.19    177.026  2123.09    225.555  1659.84    285.668  130.735 7.1375  114.014 10.442  16.72114       12.64843 
1 1 1 -7  4   46 o 36.285  8.9314  171.858    78.104   0.0000     0.0000   171.858    78.104   ?       ?       36.285  8.9314  0.000000       8.931363 
1 1 1 -7  4   47 o 61.850  6.5305  479.027    96.524   0.0000     0.0000   479.027    96.524   ?       ?       61.850  6.5305  0.000000       6.530504 
1 1 1 -7  4   48 o 29.351  6.6482  111.174    46.249   129.237    63.826   91.204     67.109   31.472  8.2556  27.173  8.8611  4.299273       12.11089 
1 1 1 -7  4   49 o 67.147  6.7984  567.672    109.237  559.587    238.146  569.827    122.933  62.228  15.756  66.934  7.7102  -4.706863      17.54177 
1 1 1 -7  4   50 o 26.123  8.9987  81.273     69.120   308.437    195.169  48.695     73.910   46.738  15.102  23.445  9.0920  23.29366       17.62755 
1 1 1 -7  4   51 o 34.958  5.5620  154.927    45.598   156.481    58.556   152.531    72.681   34.705  7.1900  33.935  8.7652  0.7699699      11.33688 
1 1 1 -7  4   52 o 53.037  4.6320  348.913    59.011   311.166    78.358   398.369    89.693   49.464  6.7012  56.057  6.7287  -6.592426      9.496401 
1 1 1 -7  4   53 o 22.503  6.8010  64.075     40.278   14.733     50.592   149.490    66.564   17.745  7.3005  33.681  8.2179  -15.93537      10.99226 
1 1 1 -7  4   54 o 12.374  5.5549  -15.2935   34.680   -35.6647   43.060   22.317     58.509   12.648  5.8679  19.472  7.9121  -6.823552      9.850556 
1 1 1 -7  4   55 o 32.699  7.4316  139.970    57.625   78.529     71.118   257.417    98.328   25.890  9.1154  43.883  9.5092  -17.99259      13.17255 
1 1 1 -7  4   56 o 51.894  5.5714  338.398    69.054   371.859    88.481   286.262    110.446  53.945  6.9193  45.925  10.179  8.019810       12.30794 
1 1 1 -7  5   1  o 550.550 10.827  36860.56   1446.36  37201.58   2044.33  36518.79   2046.60  552.444 15.251  547.323 15.411  5.120361       21.68148 
1 1 1 -7  5   2  o 654.325 12.732  52113.01   2021.42  51615.63   2857.93  52610.95   2859.52  650.105 18.118  656.382 17.954  -6.277039      25.50718 
1 1 1 -7  5   3  o 500.295 10.024  30427.12   1216.79  30324.61   1720.18  30529.78   1721.43  498.944 14.209  500.635 14.171  -1.690430      20.06763 
1 1 1 -7  5   4  o 299.439 6.3771  10886.79   463.337  11060.72   654.727  10712.29   655.789  301.704 8.9437  296.905 9.1030  4.798645       12.76139 
1 1 1 -7  5   5  o 435.242 8.8245  23017.28   931.935  23131.91   1317.47  22902.47   1318.45  435.997 12.453  433.822 12.525  2.175201       17.66272 
1 1 1 -7  5   6  o 538.537 15.009  35336.45   1961.30  36347.89   2791.31  34350.14   2756.42  545.053 21.106  529.792 21.443  15.26178       30.08730 
1 1 1 -7  5   7  o 82.251  4.7411  823.841    94.219   971.930    146.919  720.390    122.796  89.205  6.8398  76.738  6.6610  12.46768       9.547356 
1 1 1 -7  5   8  o 520.713 14.655  33024.44   1851.60  33016.39   2637.82  33032.26   2599.72  519.594 20.923  519.780 20.613  -0.1855469     29.37103 
1 1 1 -7  5   9  o 455.433 12.795  25238.56   1413.98  26440.14   2019.80  24083.70   1980.14  465.495 17.883  444.197 18.372  21.29803       25.63814 
1 1 1 -7  5   10 o 456.171 9.1414  25283.56   1011.83  25206.57   1431.17  25360.50   1430.71  455.134 12.959  456.526 12.916  -1.392120      18.29665 
1 1 1 -7  5   11 o 52.710  3.5972  338.721    45.732   401.949    64.926   276.463    64.427   57.356  4.7068  47.379  5.7199  9.976265       7.407529 
1 1 1 -7  5   12 o 586.289 11.586  41802.17   1648.14  41793.55   2331.33  41810.79   2330.31  585.524 16.410  585.646 16.399  -0.1225586     23.19905 
1 1 1 -7  5   13 f 89.154  3.5616  964.539    77.046   990.175    109.644  939.534    108.287  90.181  5.0309  87.832  5.1031  2.348434       7.165987 
1 1 1 -7  5   14 o 657.233 12.761  52564.65   2035.06  52916.49   2878.51  52213.05   2877.49  658.436 18.017  654.020 18.133  4.416382       25.56197 
1 1 1 -7  5   15 o 368.239 7.5072  16469.23   670.763  17015.03   948.487  15923.16   948.716  374.097 10.449  361.868 10.805  12.22879       15.03104 
1 1 1 -7  5   16 o 168.056 4.6125  3427.95    188.085  3634.13    266.497  3223.33    265.490  173.001 6.3486  162.922 6.7159  10.07927       9.241665 
1 1 1 -7  5   17 o 500.690 10.009  30484.44   1216.00  30492.45   1720.08  30476.44   1719.28  500.174 14.173  500.043 14.170  0.1308289      20.04171 
1 1 1 -7  5   18 o 73.653  3.6777  658.362    65.724   568.548    93.858   744.772    92.063   68.187  5.7259  78.175  4.8779  -9.987373      7.521921 
1 1 1 -7  5   19 o 284.216 6.2662  9812.28    432.130  9220.89    611.358  10402.76   610.891  275.326 9.1513  292.483 8.6079  -17.15726      12.56359 
1 1 1 -7  5   20 o 261.943 5.8589  8335.45    372.383  8304.39    526.846  8366.46    526.414  261.278 8.3103  262.256 8.2725  -0.9777832     11.72585 
1 1 1 -7  5   21 o 72.463  3.7797  639.219    66.226   632.905    94.534   645.305    92.805   71.970  5.4539  72.690  5.2982  -0.7196426     7.603728 
1 1 1 -7  5   22 o 206.204 4.9901  5165.95    249.670  5055.18    353.693  5275.97    352.485  203.829 7.1515  208.247 6.9759  -4.418350      9.990329 
1 1 1 -7  5   23 o 87.204  5.2018  927.503    109.565  882.268    139.751  999.659    176.503  84.874  6.8442  90.215  8.1513  -5.340164      10.64365 
1 1 1 -7  5   24 o 109.782 5.3010  1465.01    141.205  1412.28    183.045  1542.51    221.907  107.479 7.0582  112.201 8.2080  -4.722008      10.82538 
1 1 1 -7  5   25 o 211.340 7.0768  5437.27    362.899  5421.19    492.904  5456.31    536.265  210.720 9.6404  211.283 10.460  -0.5633087     14.22526 
1 1 1 -7  5   26 o 297.463 6.2965  10763.78   454.462  10626.91   644.062  10899.50   641.360  295.154 8.9932  298.943 8.8420  -3.788727      12.61184 
1 1 1 -7  5   27 o 251.471 5.8252  7689.79    355.434  7629.67    504.406  7749.09    500.931  250.187 8.3091  252.154 8.1874  -1.967590      11.66509 
1 1 1 -7  5   28 o 199.538 4.8742  4838.43    235.990  4747.06    335.275  4928.14    332.228  197.471 6.9973  201.221 6.8045  -3.749741      9.760345 
1 1 1 -7  5   29 o 271.720 5.9406  8980.20    391.668  9149.18    556.363  8814.18    551.475  273.920 8.3709  268.845 8.4540  5.075165       11.89709 
1 1 1 -7  5   30 o 223.154 5.2370  6054.18    283.564  6279.79    403.734  5834.55    398.359  227.047 7.3285  218.828 7.5025  8.218338       10.48785 
1 1 1 -7  5   31 o 343.422 10.250  14432.88   854.100  15097.44   1245.20  13842.43   1173.72  349.660 14.677  334.904 14.444  14.75601       20.59201 
1 1 1 -7  5   32 o 308.403 9.4351  11633.74   706.040  12216.68   1037.82  11131.49   963.318  314.661 13.593  300.500 13.212  14.16125       18.95579 
1 1 1 -7  5   33 o 89.919  5.8511  988.600    126.963  857.550    223.091  1051.38    154.407  82.760  11.413  92.603  6.9220  -9.842377      13.34820 
1 1 1 -7  5   34 o 284.970 6.3468  9902.32    438.849  9941.64    623.363  9863.68    617.926  284.799 9.0206  283.695 8.9768  1.104828       12.72615 
1 1 1 -7  5   35 o 46.891  4.6852  270.293    52.593   278.845    73.746   261.441    75.026   47.338  6.6000  45.741  6.9812  1.597736       9.607112 
1 1 1 -7  5   36 o 64.117  4.0362  502.192    62.472   436.814    89.926   563.177    86.852   59.459  6.3305  67.752  5.3261  -8.292953      8.272992 
1 1 1 -7  5   37 f 154.483 6.3171  2920.12    236.787  2920.12    236.787  0.0000     0.0000   154.483 6.3171  ?       ?       0.000000       6.317053 
1 1 1 -7  5   38 o 139.377 6.1304  2378.78    207.321  2378.78    207.321  0.0000     0.0000   139.377 6.1304  ?       ?       0.000000       6.130412 
1 1 1 -7  5   39 o 52.318  4.3644  336.142    54.899   387.685    78.185   286.014    77.104   55.965  5.8438  47.774  6.8473  8.191051       9.001966 
1 1 1 -7  5   40 o 33.361  5.5680  139.896    43.483   196.305    62.201   85.981     60.811   39.416  6.7462  26.519  8.4153  12.89721       10.78557 
1 1 1 -7  5   41 o 38.111  4.9889  180.631    45.026   206.340    63.001   153.788    64.375   40.435  6.6527  34.584  7.8510  5.851177       10.29065 
1 1 1 -7  5   42 f 76.273  4.0269  711.758    74.262   737.584    105.890  686.762    104.176  77.333  5.6830  74.581  5.8025  2.752357       8.121889 
1 1 1 -7  5   43 o 25.333  7.6146  80.395     50.593   37.321     59.223   196.719    97.324   21.137  8.1549  38.819  10.200  -17.68252      13.05900 
1 1 1 -7  5   44 o 67.032  5.4964  555.291    88.611   572.284    106.549  517.176    159.573  67.799  6.5588  63.059  10.819  4.739990       12.65154 
1 1 1 -7  5   45 o 35.550  7.4395  162.612    62.112   290.991    173.570  143.758    66.516   46.541  14.130  33.286  8.2720  13.25554       16.37304 
1 1 1 -7  5   46 o 40.140  8.2788  208.855    77.955   0.0000     0.0000   208.855    77.955   ?       ?       40.140  8.2788  0.000000       8.278750 
1 1 1 -7  5   47 o 46.773  5.3775  272.927    59.919   314.308    86.759   235.189    82.852   49.668  7.4271  42.573  8.3188  7.094444       11.15188 
1 1 1 -7  5   48 o 45.897  7.8729  271.558    84.519   246.212    207.790  276.583    92.518   43.476  15.552  46.092  8.5886  -2.615429      17.76550 
1 1 1 -7  5   49 o 19.149  7.9491  14.600     60.725   147.620    187.409  -1.0037    64.188   37.133  14.456  18.447  7.9367  18.68626       16.49158 
1 1 1 -7  5   50 o 38.831  7.8612  196.839    71.527   251.018    211.182  189.818    76.021   43.338  15.657  37.945  8.4712  5.393177       17.80187 
1 1 1 -7  5   51 o 30.312  6.2853  118.540    44.711   137.982    58.205   90.556     69.833   32.468  7.5338  27.079  9.0487  5.388456       11.77443 
1 1 1 -7  5   52 o 40.131  5.3121  202.507    50.455   221.065    65.732   175.890    78.720   41.543  6.7530  36.372  8.9749  5.171181       11.23174 
1 1 1 -7  5   53 o 44.389  7.3964  253.999    76.860   426.768    228.948  232.054    81.595   53.671  16.213  42.090  8.2845  11.58102       18.20717 
1 1 1 -7  5   54 o 36.309  6.1078  168.348    51.900   166.820    61.266   172.233    97.668   35.805  7.2996  35.822  10.535  -0.1764679E-01 12.81664 
1 1 1 -7  5   55 o 45.635  5.4040  261.718    58.676   277.000    70.399   226.945    106.193  46.659  6.3857  40.749  10.629  5.910683       12.39990 
1 1 1 -7  6   1  o 254.626 5.5294  7870.50    341.619  7909.34    481.848  7831.25    484.408  255.177 7.7822  253.911 7.8626  1.266006       11.06271 
1 1 1 -7  6   2  o 275.854 6.8172  9240.47    456.297  9343.98    779.420  9186.49    562.828  277.154 11.590  274.980 8.4355  2.173584       14.33484 
1 1 1 -7  6   3  o 352.136 7.3035  15059.42   624.031  14907.61   881.992  15211.59   883.033  350.170 10.381  353.728 10.288  -3.558685      14.61525 
1 1 1 -7  6   4  o 324.045 6.8812  12750.97   541.049  13086.85   764.661  12414.21   765.658  328.143 9.6038  319.583 9.8739  8.560486       13.77408 
1 1 1 -7  6   5  o 1182.96 32.756  173237.09  9402.02  174260.59  13314.73 172219.20  13278.27 1174.36 46.727  1167.31 46.880  7.052246       66.19034 
1 1 1 -7  6   6  o 309.771 9.1890  11660.00   690.670  12087.22   994.054  11261.28   960.330  315.147 13.000  304.188 13.011  10.95847       18.39241 
1 1 1 -7  6   7  o 172.005 6.0890  3591.78    254.126  3762.99    375.242  3446.74    345.388  175.991 8.7873  168.228 8.4888  7.763153       12.21792 
1 1 1 -7  6   8  o 434.144 12.542  22931.83   1321.15  21859.85   1886.82  23962.91   1850.47  423.186 18.375  443.241 17.206  -20.05548      25.17338 
1 1 1 -7  6   9  o 549.245 10.976  36677.98   1462.74  37486.31   2068.65  35869.69   2068.60  554.688 15.370  542.544 15.714  12.14429       21.98077 
1 1 1 -7  6   10 o 487.369 9.5883  28864.52   1133.87  29413.39   1603.68  28315.84   1603.40  491.591 13.445  482.302 13.701  9.288940       19.19589 
1 1 1 -7  6   11 o 272.226 5.8673  8996.24    387.553  9444.43    548.402  8549.10    547.764  278.846 8.1053  265.284 8.5098  13.56232       11.75215 
1 1 1 -7  6   12 o 705.526 13.880  60601.47   2376.05  60398.17   3360.72  60804.66   3359.77  703.095 19.699  705.475 19.627  -2.380127      27.80839 
1 1 1 -7  6   13 o 1011.27 19.873  124989.40  4876.34  126292.50  6896.81  123686.70  6895.56  1012.84 28.064  1002.18 28.357  10.65662       39.89587 
1 1 1 -7  6   14 o 366.080 7.7199  16277.65   685.724  16534.43   970.047  16021.18   969.475  368.747 10.842  362.966 11.008  5.781158       15.45054 
1 1 1 -7  6   15 o 189.609 4.5166  4363.51    207.795  4104.12    292.855  4626.52    294.889  183.843 6.5651  195.202 6.2260  -11.35893      9.047859 
1 1 1 -7  6   16 o 455.064 9.0962  25170.94   1004.38  24600.10   1420.70  25741.31   1420.11  449.429 13.028  459.776 12.730  -10.34665      18.21453 
1 1 1 -7  6   17 o 246.376 5.5408  7370.13    331.232  7517.29    469.105  7223.81    467.764  248.729 7.7728  243.818 7.9067  4.910172       11.08753 
1 1 1 -7  6   18 o 247.795 5.5591  7456.33    334.240  7309.81    473.204  7602.21    472.171  245.228 7.9527  250.095 7.7809  -4.866943      11.12601 
1 1 1 -7  6   19 o 269.016 5.9587  8791.53    388.948  8757.32    550.707  8825.58    549.407  268.312 8.4589  269.360 8.4061  -1.048096      11.92547 
1 1 1 -7  6   20 o 271.510 5.9327  8957.85    390.842  8953.38    553.176  8962.31    552.292  271.222 8.4057  271.359 8.3880  -0.1370850     11.87497 
1 1 1 -7  6   21 o 198.417 4.8635  4782.55    234.148  4724.51    331.701  4840.20    330.572  197.077 6.9366  199.483 6.8296  -2.406479      9.734469 
1 1 1 -7  6   22 o 306.413 9.1324  11451.28   678.980  10750.09   937.042  12226.41   985.215  296.069 13.044  315.793 12.858  -19.72400      18.31556 
1 1 1 -7  6   23 o 481.379 13.843  28485.06   1616.91  28737.54   2261.70  28221.11   2312.46  480.493 19.399  475.756 20.032  4.736389       27.88572 
1 1 1 -7  6   24 o 331.281 9.7799  13402.70   786.131  12784.41   1088.11  14077.83   1137.02  322.467 13.907  338.406 13.847  -15.93842      19.62507 
1 1 1 -7  6   25 o 271.753 8.4010  9002.67    553.949  8715.79    760.188  9327.49    808.881  266.778 11.744  275.906 12.083  -9.127563      16.84947 
1 1 1 -7  6   26 o 111.698 3.8990  1515.23    105.674  1432.95    149.673  1597.02    149.219  108.409 5.7102  114.620 5.3654  -6.211014      7.835374 
1 1 1 -7  6   27 o 150.668 4.2195  2757.51    154.257  2790.19    219.362  2725.53    216.962  151.465 5.9688  149.699 5.9731  1.765533       8.444197 
1 1 1 -7  6   28 o 179.178 4.7718  3901.35    207.458  3812.99    293.722  3989.32    293.060  176.985 6.8397  181.046 6.6712  -4.060974      9.554399 
1 1 1 -7  6   29 o 417.988 8.5573  21313.53   867.891  21271.30   1229.60  21355.45   1225.18  416.405 12.170  417.254 12.101  -0.8486938     17.16239 
1 1 1 -7  6   30 o 238.626 6.6139  6932.72    382.945  6998.02    694.027  6904.14    459.169  238.485 12.032  237.946 7.9530  0.5383301      14.42326 
1 1 1 -7  6   31 o 159.140 6.5148  3084.10    251.560  3088.46    389.717  3081.00    329.368  158.503 10.187  158.611 8.5902  -0.1080170     13.32556 
1 1 1 -7  6   32 o 117.609 6.1494  1689.06    174.876  1483.50    282.466  1816.82    222.684  109.429 10.778  121.790 7.5730  -12.36098      13.17265 
1 1 1 -7  6   33 o 392.983 9.3092  18929.35   887.671  18587.37   1094.71  19585.92   1516.82  388.314 11.619  395.969 15.787  -7.654785      19.60181 
1 1 1 -7  6   34 o 57.913  4.4393  410.429    61.907   426.040    85.888   393.549    89.312   58.790  6.1102  56.392  6.6554  2.397842       9.034879 
1 1 1 -7  6   35 o 37.517  5.1530  174.708    45.669   173.984    64.733   175.425    64.440   37.044  7.4599  37.211  7.3976  -0.1672707     10.50593 
1 1 1 -7  6   36 o 201.023 7.1899  4954.25    350.696  4954.25    350.696  0.0000     0.0000   201.023 7.1899  ?       ?       0.000000       7.189880 
1 1 1 -7  6   37 f 23.345  8.0659  60.930     55.554   60.930     55.554   0.0000     0.0000   23.345  8.0659  ?       ?       0.000000       8.065911 
1 1 1 -7  6   38 o 54.692  4.2294  366.810    55.691   416.974    79.172   317.683    78.351   58.100  5.6891  50.471  6.5525  7.629051       8.677602 
1 1 1 -7  6   39 o 109.762 4.0446  1468.88    107.719  1500.57    154.862  1439.18    149.932  110.506 5.7958  108.232 5.7296  2.274399       8.149797 
1 1 1 -7  6   40 f 80.577  4.0134  791.877    78.467   838.232    111.716  746.740    110.237  82.510  5.6135  77.798  5.8832  4.711655       8.131646 
1 1 1 -7  6   41 o 52.771  4.3953  342.424    55.767   400.385    79.098   285.137    78.637   56.827  5.8185  47.590  7.0209  9.237900       9.118555 
1 1 1 -7  6   42 f 96.385  5.5112  1143.19    128.356  1220.54    159.229  999.677    216.901  99.290  6.6476  88.553  10.286  10.73766       12.24748 
1 1 1 -7  6   43 f 12.664  5.8357  -31.7863   41.547   -27.8401   46.469   -47.5105   92.760   13.868  6.3075  19.807  8.9705  -5.938993      10.96601 
1 1 1 -7  6   44 o 62.557  5.5397  484.598    83.217   526.049    98.580   381.815    155.232  65.003  6.3304  53.455  12.233  11.54805       13.77377 
1 1 1 -7  6   45 o 88.781  6.1781  977.931    132.258  0.0000     0.0000   977.931    132.258  ?       ?       88.781  6.1781  0.000000       6.178093 
1 1 1 -7  6   46 o 51.038  5.1737  323.591    63.185   358.456    91.303   291.548    87.530   53.176  7.2664  47.696  7.8354  5.479923       10.68615 
1 1 1 -7  6   47 o 35.559  6.3777  161.437    53.006   63.382     78.880   242.169    71.575   25.228  9.4879  43.564  7.0089  -18.33640      11.79600 
1 1 1 -7  6   48 o 20.026  8.0669  25.703     60.245   32.885     185.826  24.860     63.685   31.673  13.562  20.371  8.2629  11.30267       15.88126 
1 1 1 -7  6   49 o 37.362  8.8714  184.995    79.225   422.904    208.827  144.995    85.627   53.938  15.267  33.157  9.8927  20.78080       18.19230 
1 1 1 -7  6   50 o 56.669  4.7300  398.369    64.444   319.754    87.647   490.887    95.083   49.881  7.4716  62.427  6.3663  -12.54578      9.816044 
1 1 1 -7  6   51 f 33.006  5.7257  138.858    44.193   142.581    55.850   132.623    72.273   33.089  7.1639  31.701  8.9847  1.388485       11.49117 
1 1 1 -7  6   52 o 34.573  8.5586  158.165    71.413   251.322    220.251  147.221    75.491   43.460  15.945  33.318  9.0869  10.14252       18.35289 
1 1 1 -7  6   53 o 13.414  5.7546  -0.9864    33.567   0.3541     41.940   -3.3755    55.989   15.089  6.4516  17.058  7.3756  -1.968962      9.799063 
1 1 1 -7  6   54 o ?       ?       -103.4127  23.527   -101.2944  24.487   -128.8601  84.873   ?       ?       15.378  7.4388  0.000000       7.438773 
1 1 1 -7  6   55 o 16.250  6.5266  17.017     39.312   20.443     43.607   2.1489     90.838   17.242  6.8920  21.784  9.4068  -4.541689      11.66135 
1 1 1 -7  7   1  o 747.690 14.575  68103.63   2644.26  68235.28   3737.95  67971.74   3741.16  746.871 20.626  745.410 20.685  1.460938       29.21133 
1 1 1 -7  7   2  o 159.010 4.0087  3068.46    154.664  3072.18    217.991  3064.69    219.472  159.083 5.6474  158.888 5.6928  0.1947021      8.018812 
1 1 1 -7  7   3  o 417.061 11.742  21158.13   1188.21  22972.71   1695.87  19408.39   1665.30  434.074 16.101  398.841 17.208  35.23279       23.56631 
1 1 1 -7  7   4  f 959.044 26.489  113065.40  6163.99  113534.00  8734.55  112600.50  8699.94  954.640 37.708  950.703 37.714  3.936829       53.33190 
1 1 1 -7  7   5  o 261.666 8.0860  8316.81    513.384  8446.84    743.278  8198.18    709.937  263.532 11.624  259.644 11.269  3.888214       16.18956 
1 1 1 -7  7   6  o 458.049 13.073  25534.30   1452.98  25088.93   2073.32  25964.13   2036.83  453.269 18.852  461.209 18.201  -7.939911      26.20406 
1 1 1 -7  7   7  o 389.123 11.303  18412.66   1067.23  18034.48   1527.62  18773.22   1491.62  384.617 16.369  392.496 15.662  -7.878906      22.65515 
1 1 1 -7  7   8  o 269.635 5.8517  8825.85    382.848  8685.45    541.291  8966.39    541.567  267.397 8.3428  271.692 8.2151  -4.295410      11.70851 
1 1 1 -7  7   9  o 420.130 8.5939  21442.76   876.065  20722.35   1238.84  22163.41   1239.05  412.718 12.371  426.866 11.963  -14.14743      17.20885 
1 1 1 -7  7   10 o 728.888 14.274  64693.03   2524.39  64115.21   3570.02  65270.85   3570.03  724.260 20.315  730.807 20.133  -6.546387      28.60108 
1 1 1 -7  7   11 o 569.391 11.044  39421.02   1525.81  39135.62   2157.93  39706.37   2157.73  566.681 15.694  570.817 15.579  -4.136047      22.11341 
1 1 1 -7  7   12 o 891.455 17.470  96967.30   3778.92  97314.00   5344.41  96620.66   5344.00  890.492 24.735  887.278 24.822  3.213867       35.04213 
1 1 1 -7  7   13 o 370.877 7.8381  16707.73   705.349  17543.11   997.985  15873.92   997.043  379.828 10.829  361.263 11.374  18.56442       15.70461 
1 1 1 -7  7   14 o 564.007 11.049  38690.95   1512.11  38945.31   2139.10  38436.89   2137.79  565.145 15.599  561.427 15.693  3.718079       22.12720 
1 1 1 -7  7   15 o 205.077 4.8540  5105.03    241.534  4831.29    340.697  5381.64    342.472  199.444 7.0402  210.508 6.7049  -11.06442      9.722140 
1 1 1 -7  7   16 o 474.895 9.3811  27422.04   1080.97  26953.77   1529.32  27889.58   1528.12  470.276 13.402  478.409 13.164  -8.132507      18.78617 
1 1 1 -7  7   17 o 432.059 8.8112  22699.46   923.726  22723.34   1307.08  22675.63   1305.61  431.791 12.476  431.337 12.475  0.4533691      17.64267 
1 1 1 -7  7   18 o 440.230 8.8397  23578.60   944.242  24132.94   1336.41  23026.01   1334.31  444.774 12.383  434.399 12.659  10.37411       17.70875 
1 1 1 -7  7   19 f 345.228 7.1591  14491.96   599.693  14452.74   848.931  14531.04   847.260  344.366 10.160  345.305 10.112  -0.9388123     14.33462 
1 1 1 -7  7   20 o 211.560 5.0238  5437.37    257.890  5406.00    365.406  5468.50    364.021  210.804 7.1439  212.025 7.0758  -1.220581      10.05494 
1 1 1 -7  7   21 o 250.760 5.4881  7643.04    333.924  7411.37    472.839  7873.54    471.643  246.683 7.8997  254.289 7.6440  -7.606583      10.99256 
1 1 1 -7  7   22 o 285.610 8.9810  9951.36    622.393  10619.91   856.617  9203.77    905.836  294.413 11.991  273.688 13.640  20.72513       18.16186 
1 1 1 -7  7   23 o 89.137  5.2267  969.097    112.551  874.659    144.770  1113.40    178.952  84.460  7.1309  95.279  7.8092  -10.81884      10.57512 
1 1 1 -7  7   24 o 77.126  5.3305  726.517    99.143   651.094    125.327  852.647    162.070  72.777  7.1913  83.253  8.1267  -10.47591      10.85160 
1 1 1 -7  7   25 o 155.595 4.2409  2940.80    160.110  2971.50    227.087  2910.45    225.779  156.309 5.9875  154.694 6.0152  1.615921       8.487157 
1 1 1 -7  7   26 o 104.962 3.8220  1337.94    97.340   1330.99    137.885  1344.85    137.434  104.492 5.4573  105.040 5.4107  -0.5483627     7.684940 
1 1 1 -7  7   27 o 126.863 4.0198  1954.82    123.738  2026.04    175.889  1885.04    174.108  129.082 5.6158  124.502 5.7634  4.580093       8.046958 
1 1 1 -7  7   28 o 126.686 4.1032  1949.57    126.129  1919.27    178.047  1980.10    178.702  125.616 5.8415  127.596 5.7720  -1.979294      8.212160 
1 1 1 -7  7   29 o 165.804 4.5413  3340.71    182.701  3465.80    258.882  3216.58    257.877  168.750 6.3226  162.552 6.5382  6.198257       9.095184 
1 1 1 -7  7   30 o 207.417 7.3472  5243.89    369.769  5238.11    558.918  5248.40    493.107  206.371 11.204  207.127 9.8116  -0.7565765     14.89274 
1 1 1 -7  7   31 o 114.615 6.1348  1604.11    169.993  1608.54    273.967  1601.34    216.767  114.168 9.9904  114.278 7.8654  -0.1096497     12.71507 
1 1 1 -7  7   32 o 182.882 6.9430  4079.80    308.093  4048.18    473.324  4103.05    405.839  181.162 10.817  183.039 9.1379  -1.877151      14.16025 
1 1 1 -7  7   33 o 105.231 3.9900  1346.35    101.877  1221.61    144.055  1471.16    144.098  99.928  5.9685  109.901 5.4037  -9.973289      8.051272 
1 1 1 -7  7   34 f 160.032 4.4979  3117.31    174.654  3207.07    247.855  3028.77    246.150  162.064 6.3030  157.471 6.4422  4.592087       9.012769 
1 1 1 -7  7   35 o 202.932 7.2101  5046.56    355.021  5046.56    355.021  0.0000     0.0000   202.932 7.2101  ?       ?       0.000000       7.210075 
1 1 1 -7  7   36 o 42.068  6.9908  222.694    68.853   222.694    68.853   0.0000     0.0000   42.068  6.9908  ?       ?       0.000000       6.990818 
1 1 1 -7  7   37 o 110.921 5.8397  1510.05    156.617  1510.05    156.617  0.0000     0.0000   110.921 5.8397  ?       ?       0.000000       5.839746 
1 1 1 -7  7   38 o 28.542  5.9901  103.557    40.162   120.225    56.946   87.061     56.650   30.624  7.6779  26.473  8.0802  4.151535       11.14627 
1 1 1 -7  7   39 o 57.364  4.2459  403.703    58.678   387.024    84.616   419.154    81.442   55.769  6.3673  58.175  5.8489  -2.405548      8.645905 
1 1 1 -7  7   40 o 86.937  4.0027  922.008    84.435   943.856    121.238  901.430    117.660  87.526  5.7405  85.536  5.7018  1.989510       8.090962 
1 1 1 -7  7   41 o 98.774  4.0218  1190.57    96.390   1249.76    137.152  1132.80    135.494  100.767 5.6320  95.865  5.8530  4.902077       8.122629 
1 1 1 -7  7   42 o 41.342  6.4230  215.370    62.340   173.867    71.997   339.703    124.614  36.679  8.2852  51.020  10.419  -14.34018      13.31131 
1 1 1 -7  7   43 o 41.041  6.6474  213.100    63.932   238.829    74.224   139.143    125.841  43.332  7.3204  34.454  12.126  8.877155       14.16427 
1 1 1 -7  7   44 o 115.412 6.0114  1646.94    167.760  0.0000     0.0000   1646.94    167.760  ?       ?       115.412 6.0114  0.000000       6.011448 
1 1 1 -7  7   45 o 100.387 6.2091  1251.06    150.499  0.0000     0.0000   1251.06    150.499  ?       ?       100.387 6.2091  0.000000       6.209103 
1 1 1 -7  7   46 f 18.009  7.0628  24.836     44.986   4.1406     69.685   39.624     58.905   19.603  8.3473  21.191  8.1445  -1.587885      11.66231 
1 1 1 -7  7   47 o 29.238  8.6287  110.589    65.420   -233.4839  189.035  157.404    69.728   23.673  11.363  34.617  8.3892  -10.94436      14.12456 
1 1 1 -7  7   48 o 45.191  8.0359  265.158    84.886   279.585    213.290  262.443    92.530   45.093  15.792  44.670  8.8498  0.4226761      18.10246 
1 1 1 -7  7   49 o 59.651  6.5168  449.357    92.789   432.178    239.366  452.395    100.659  53.784  16.642  59.642  7.0948  -5.858154      18.09142 
1 1 1 -7  7   50 o 36.034  6.4969  166.819    54.714   199.165    80.097   138.521    74.918   38.772  8.7248  32.349  9.1404  6.422619       12.63604 
1 1 1 -7  7   51 o 45.160  4.9522  254.596    53.375   272.025    70.317   230.904    81.986   46.270  6.4377  41.942  8.3496  4.327545       10.54322 
1 1 1 -7  7   52 o 57.646  4.5776  411.617    63.501   382.010    84.359   450.328    96.459   54.965  6.4478  59.608  6.7904  -4.643532      9.363933 
1 1 1 -7  7   53 o 39.159  6.0699  195.209    55.807   169.795    65.266   264.322    107.630  35.999  7.7047  44.201  10.237  -8.201862      12.81227 
1 1 1 -7  7   54 o 71.032  4.7062  625.607    80.653   528.721    102.658  781.845    130.364  64.574  6.6470  78.513  6.9136  -13.93958      9.590599 
1 1 1 -7  8   1  o 170.292 6.1660  3520.76    254.778  2966.68    372.469  4007.98    349.270  155.917 9.8967  181.650 7.9243  -25.73309      12.67827 
1 1 1 -7  8   2  f 215.469 6.8904  5637.61    360.239  6430.92    522.651  4919.64    497.211  230.043 9.3635  200.914 10.233  29.12950       13.87054 
1 1 1 -7  8   3  o 120.310 5.1200  1756.92    149.463  2039.66    224.032  1530.14    200.642  129.402 7.1631  112.001 7.4252  17.40027       10.31712 
1 1 1 -7  8   4  o 282.175 8.5255  9672.94    583.717  10117.90   841.209  9259.73    810.640  288.399 12.021  275.892 12.109  12.50687       17.06303 
1 1 1 -7  8   5  o 251.477 7.9644  7681.35    485.976  7221.73    703.928  8099.90    671.749  243.661 11.906  258.114 10.726  -14.45326      16.02511 
1 1 1 -7  8   6  o 274.102 8.5144  9127.14    566.282  8586.80    818.595  9623.02    784.199  265.649 12.700  281.297 11.489  -15.64746      17.12576 
1 1 1 -7  8   7  o 442.673 8.8096  23807.46   946.248  23937.82   1337.90  23676.99   1338.50  443.573 12.431  441.142 12.505  2.430634       17.63205 
1 1 1 -7  8   8  o 353.836 7.3026  15204.09   626.962  14828.63   886.433  15579.93   886.884  349.262 10.460  358.017 10.209  -8.755341      14.61651 
1 1 1 -7  8   9  o 274.908 5.9613  9174.66    397.644  9373.26    562.311  8975.99    562.395  277.780 8.3428  271.822 8.5269  5.958160       11.92939 
1 1 1 -7  8   10 o 390.370 7.9613  18509.59   754.088  18984.38   1066.42  18034.75   1066.46  395.124 11.123  385.091 11.413  10.03247       15.93718 
1 1 1 -7  8   11 o 802.833 15.892  78572.13   3095.71  80010.45   4378.02  77133.84   4377.96  808.266 22.323  793.463 22.740  14.80316       31.86563 
1 1 1 -7  8   12 o 279.734 5.9227  9500.04    402.004  9436.92    568.318  9563.25    568.723  278.705 8.4039  280.566 8.3541  -1.861481      11.84980 
1 1 1 -7  8   13 o 370.893 7.6582  16709.60   689.187  17108.76   974.808  16310.69   974.506  375.076 10.711  366.202 10.967  8.873779       15.33005 
1 1 1 -7  8   14 o 386.437 7.8589  18142.64   736.890  18581.12   1042.40  17704.63   1041.84  390.816 10.993  381.462 11.256  9.354279       15.73323 
1 1 1 -7  8   15 o 442.911 8.9485  23847.75   961.686  24112.36   1360.55  23583.55   1359.51  444.919 12.603  439.995 12.734  4.924225       17.91623 
1 1 1 -7  8   16 o 250.843 5.6479  7640.86    343.760  7410.37    485.533  7872.53    486.770  246.909 8.1043  254.505 7.8825  -7.596252      11.30547 
1 1 1 -7  8   17 o 272.656 5.9316  9030.31    392.421  8721.08    555.069  9339.32    554.865  267.769 8.5432  277.121 8.2519  -9.352478      11.87774 
1 1 1 -7  8   18 f 540.417 10.695  35606.96   1402.46  35489.80   1984.15  35723.93   1982.60  538.181 15.194  539.975 15.132  -1.794128      21.44402 
1 1 1 -7  8   19 f 530.421 10.523  34331.05   1354.39  33915.09   1916.35  34746.18   1914.43  525.626 15.026  532.109 14.828  -6.482727      21.11003 
1 1 1 -7  8   20 o 487.973 9.6905  29054.85   1147.38  29491.63   1623.70  28619.21   1621.58  490.247 13.650  482.865 13.840  7.382324       19.43899 
1 1 1 -7  8   21 o 289.329 9.1443  10213.95   641.956  11193.63   884.449  9123.19    933.242  302.252 12.060  272.003 14.189  30.24924       18.62198 
1 1 1 -7  8   22 o 246.360 7.6621  7394.04    458.015  6522.84    624.571  8407.62    673.676  230.856 11.150  262.208 10.589  -31.35205      15.37670 
1 1 1 -7  8   23 o 187.776 6.6082  4290.77    301.082  4185.80    404.464  4421.21    450.897  185.224 8.9995  190.013 9.8133  -4.788208      13.31511 
1 1 1 -7  8   24 o 63.125  3.9698  485.879    60.495   548.565    87.448   428.346    83.776   66.956  5.4294  59.053  5.9266  7.902138       8.037652 
1 1 1 -7  8   25 o 179.773 4.6673  3926.88    203.589  3910.81    288.862  3942.74    286.985  179.265 6.6410  180.001 6.5708  -0.7361755     9.342282 
1 1 1 -7  8   26 o 169.212 4.4852  3478.77    184.152  3669.98    261.441  3290.49    259.432  173.686 6.2036  164.439 6.5021  9.247253       8.986795 
1 1 1 -7  8   27 o 195.448 4.9137  4642.80    233.025  4539.12    330.196  4745.68    328.903  193.070 7.0484  197.433 6.8657  -4.362701      9.839622 
1 1 1 -7  8   28 o 146.020 4.3765  2590.68    155.063  2586.15    219.892  2595.17    218.697  145.780 6.2165  146.038 6.1718  -0.2570953     8.759941 
1 1 1 -7  8   29 o 144.536 6.3163  2543.09    221.516  2581.91    347.631  2516.55    287.427  144.939 9.9450  143.368 8.2980  1.571625       12.95216 
1 1 1 -7  8   30 o 116.025 6.1894  1643.74    173.615  1477.48    279.098  1748.68    221.740  109.265 10.663  119.479 7.6896  -10.21418      13.14653 
1 1 1 -7  8   31 o 274.502 8.7444  9217.72    582.422  9558.01    864.298  8934.66    788.280  278.213 12.803  269.251 12.066  8.961029       17.59290 
1 1 1 -7  8   32 o 168.448 4.5161  3451.55    184.585  3199.36    262.171  3699.45    259.929  161.925 6.6728  174.196 6.1497  -12.27138      9.074400 
1 1 1 -7  8   33 o 73.279  4.1658  655.327    73.765   626.486    102.610  686.173    106.118  71.416  5.9764  74.775  5.8967  -3.358620      8.395738 
1 1 1 -7  8   34 o 114.276 4.0161  1589.08    111.358  1617.86    160.453  1562.33    154.674  115.126 5.7439  113.147 5.6339  1.979774       8.045749 
1 1 1 -7  8   35 f 128.542 6.0390  2020.58    188.353  2020.58    188.353  0.0000     0.0000   128.542 6.0390  ?       ?       0.000000       6.038997 
1 1 1 -7  8   36 o 127.581 5.9068  1992.17    182.853  1992.17    182.853  0.0000     0.0000   127.581 5.9068  ?       ?       0.000000       5.906810 
1 1 1 -7  8   37 o 77.154  4.0036  727.439    74.692   790.652    107.597  668.644    103.768  80.185  5.5647  73.652  5.8549  6.533333       8.077449 
1 1 1 -7  8   38 o 109.944 4.0739  1474.22    108.680  1588.30    155.666  1365.73    151.800  113.847 5.6352  105.344 5.9633  8.502808       8.204618 
1 1 1 -7  8   39 o 95.702  4.0117  1117.27    93.157   1187.99    132.941  1049.04    130.579  98.276  5.5982  92.268  5.8629  6.007462       8.106426 
1 1 1 -7  8   40 o 89.145  4.0771  969.860    88.188   1051.28    126.145  892.026    123.334  92.392  5.6542  84.992  6.0195  7.400192       8.258589 
1 1 1 -7  8   41 o 34.286  7.0722  150.439    56.882   181.331    66.313   64.410     110.663  37.624  7.5266  28.213  11.073  9.411880       13.38914 
1 1 1 -7  8   42 o 62.004  5.6879  476.363    84.619   499.336    100.825  421.629    155.628  63.252  6.6700  56.463  11.742  6.789478       13.50451 
1 1 1 -7  8   43 o 101.718 9.6139  1317.05    234.469  0.0000     0.0000   1317.05    234.469  ?       ?       101.718 9.6139  0.000000       9.613921 
1 1 1 -7  8   44 o 44.438  7.6371  252.827    79.378   0.0000     0.0000   252.827    79.378   ?       ?       44.438  7.6371  0.000000       7.637050 
1 1 1 -7  8   45 o 46.923  5.4423  274.891    60.812   247.135    87.012   301.393    85.024   43.594  8.5316  48.602  7.4471  -5.008701      11.32464 
1 1 1 -7  8   46 o 37.902  6.2052  182.617    55.091   104.865    81.467   248.133    74.783   29.178  9.7733  44.008  7.2563  -14.83073      12.17256 
1 1 1 -7  8   47 o 38.605  8.4128  195.814    76.577   -35.8122   201.669  234.837    82.776   30.118  13.467  42.382  8.3464  -12.26427      15.84344 
1 1 1 -7  8   48 f 45.912  7.7831  272.961    83.609   -82.7636   214.537  336.663    90.787   29.416  13.446  51.191  7.5345  -21.77511      15.41304 
1 1 1 -7  8   49 o 9.9300  4.8881  -86.2840   41.528   -8.8772    66.072   -136.8314  53.392   18.134  7.9244  10.462  5.2167  7.671743       9.487394 
1 1 1 -7  8   50 o 24.851  7.7056  78.345     51.287   89.986     73.628   67.374     71.480   27.188  9.2903  24.851  9.0890  2.337091       12.99688 
1 1 1 -7  8   51 o 18.610  8.6047  -64.9116   91.454   -72.9017   234.537  -63.4789   99.316   31.020  14.132  19.634  9.0385  11.38587       16.77546 
1 1 1 -7  8   52 o 9.4902  4.6136  -58.0273   33.702   -70.2517   41.303   -33.6719   58.299   10.523  5.1137  15.435  7.0373  -4.911917      8.699047 
1 1 1 -7  8   53 f 24.714  6.8106  79.221     42.151   123.004    46.148   -141.1481  103.532  30.823  6.3806  17.345  8.3468  13.47864       10.50624 
1 1 1 -7  9   1  o 540.180 15.230  35555.27   1996.17  34608.73   2836.66  36483.80   2809.55  531.688 21.988  546.074 21.204  -14.38580      30.54653 
1 1 1 -7  9   2  f 257.632 7.9161  8062.02    494.850  8576.68    713.584  7585.24    686.830  265.579 11.074  249.744 11.334  15.83495       15.84573 
1 1 1 -7  9   3  o 249.491 7.7373  7560.12    468.393  8046.94    676.619  7112.16    649.057  257.261 10.839  241.846 11.061  15.41449       15.48647 
1 1 1 -7  9   4  o 497.333 13.953  30115.57   1683.77  30963.19   2397.07  29290.02   2365.66  503.400 19.625  489.558 19.915  13.84180       27.95972 
1 1 1 -7  9   5  o 492.919 9.8158  29529.41   1173.99  30438.17   1659.71  28619.44   1660.83  500.030 13.680  484.806 14.119  15.22308       19.65875 
1 1 1 -7  9   6  o 341.011 6.9302  14120.61   573.428  14356.10   810.583  13884.70   811.318  343.696 9.7198  337.996 9.8927  5.700470       13.86871 
1 1 1 -7  9   7  o 746.094 14.684  67801.94   2658.34  68495.20   3759.12  67108.43   3759.79  748.438 20.700  740.762 20.918  7.676758       29.42866 
1 1 1 -7  9   8  o 506.900 10.181  31232.96   1252.17  32421.20   1770.72  30044.41   1770.95  515.993 14.143  496.646 14.696  19.34677       20.39597 
1 1 1 -7  9   9  f 549.692 10.834  36739.31   1444.98  35781.41   2043.54  37697.15   2043.48  541.846 15.543  556.227 15.141  -14.38049      21.69894 
1 1 1 -7  9   10 f 399.188 8.2956  19358.29   803.508  19391.47   1136.53  19325.13   1136.14  399.265 11.732  398.580 11.748  0.6850586      16.60230 
1 1 1 -7  9   11 o 562.988 11.256  38551.20   1537.66  38371.61   2174.62  38730.79   2174.54  560.952 15.977  563.584 15.902  -2.632813      22.54170 
1 1 1 -7  9   12 o 718.299 14.084  62860.27   2454.66  62087.86   3471.42  63632.65   3471.39  712.325 20.085  721.207 19.837  -8.882324      28.22956 
1 1 1 -7  9   13 o 193.799 4.6650  4558.84    219.363  4348.57    309.827  4770.20    310.627  189.225 6.7480  198.195 6.4593  -8.969986      9.341189 
1 1 1 -7  9   14 f 443.112 8.9251  23869.41   959.595  24206.62   1357.24  23532.36   1356.91  445.789 12.548  439.512 12.724  6.277283       17.87002 
1 1 1 -7  9   15 o 206.693 5.0375  5186.91    252.644  5270.06    357.529  5103.98    357.057  208.269 7.0749  204.956 7.1798  3.312469       10.07990 
1 1 1 -7  9   16 o 429.508 8.6899  22440.13   905.626  22620.05   1281.31  22260.51   1280.19  430.662 12.262  427.210 12.350  3.452545       17.40330 
1 1 1 -7  9   17 o 240.464 5.4904  7024.17    320.343  6674.21    452.328  7376.31    453.742  234.232 7.9587  246.274 7.5932  -12.04178      10.99993 
1 1 1 -7  9   18 o 459.778 9.2350  25759.88   1030.26  25151.72   1457.40  26367.39   1456.62  453.264 13.251  464.188 12.933  -10.92410      18.51637 
1 1 1 -7  9   19 o 149.091 4.1980  2699.62    151.864  2568.18    212.974  2835.58    216.609  145.333 6.0394  152.723 5.8453  -7.389465      8.404923 
1 1 1 -7  9   20 f 212.089 7.1705  5476.36    369.002  5491.88    497.825  5457.43    549.720  212.085 9.6739  210.990 10.774  1.095245       14.47957 
1 1 1 -7  9   21 o 205.676 7.0214  5150.29    350.405  5244.64    474.326  5036.95    519.898  207.258 9.4320  202.672 10.609  4.585434       14.19549 
1 1 1 -7  9   22 o 26.329  7.8006  85.584     53.379   32.555     64.789   197.647    94.183   21.573  8.4710  39.460  9.8637  -17.88699      13.00195 
1 1 1 -7  9   23 o 88.979  4.2013  961.726    90.706   996.989    115.776  905.681    145.958  90.408  5.3009  85.964  7.0599  4.444054       8.828470 
1 1 1 -7  9   24 o 25.303  6.5028  80.859     40.141   136.928    56.907   25.335     56.630   32.891  7.3192  19.885  7.8841  13.00672       10.75772 
1 1 1 -7  9   25 o 40.979  4.9576  207.066    48.292   141.460    67.926   274.117    68.671   33.414  8.3901  47.072  6.1602  -13.65724      10.40871 
1 1 1 -7  9   26 o 332.179 7.1602  13438.11   577.114  13251.73   817.142  13623.60   815.187  329.215 10.229  333.844 10.064  -4.628876      14.34980 
1 1 1 -7  9   27 o 90.676  4.0313  998.783    88.695   988.444    123.497  1009.80    127.464  89.971  5.6863  90.929  5.8076  -0.9581604     8.127878 
1 1 1 -7  9   28 o 282.397 7.4260  9720.06    508.837  10119.24   914.140  9540.86    612.495  286.727 13.140  279.472 9.0324  7.255035       15.94463 
1 1 1 -7  9   29 o 109.062 6.1870  1452.81    163.053  1251.21    263.684  1577.62    207.475  100.411 11.003  113.482 7.5784  -13.07148      13.36034 
1 1 1 -7  9   30 o 158.841 6.5677  3074.94    253.127  2984.44    395.020  3138.00    329.716  155.590 10.525  159.992 8.5241  -4.401077      13.54406 
1 1 1 -7  9   31 o 128.877 4.6489  2020.47    145.373  1952.80    181.469  2141.68    242.881  126.596 5.9077  132.175 7.6053  -5.579315      9.630212 
1 1 1 -7  9   32 f 26.646  7.1044  89.810     46.771   165.389    62.946   -3.3510    69.886   36.123  7.4296  19.400  8.3124  16.72336       11.14875 
1 1 1 -7  9   33 o 117.275 4.0303  1673.40    114.686  1611.82    163.840  1732.57    160.588  114.757 5.9041  119.175 5.5535  -4.417450      8.105490 
1 1 1 -7  9   34 o 229.952 7.8148  6497.92    436.031  6497.92    436.031  0.0000     0.0000   229.952 7.8148  ?       ?       0.000000       7.814765 
1 1 1 -7  9   35 o 21.662  8.0046  45.588     55.661   45.588     55.661   0.0000     0.0000   21.662  8.0046  ?       ?       0.000000       8.004623 
1 1 1 -7  9   36 o 24.517  6.4714  76.419     39.061   124.643    55.512   29.127     54.973   31.199  7.4380  19.898  7.8063  11.30072       10.78253 
1 1 1 -7  9   37 o 133.411 4.2612  2171.55    137.941  2160.35    197.483  2182.22    192.758  132.667 6.1348  133.381 5.9560  -0.7140961     8.550468 
1 1 1 -7  9   38 o 74.387  4.0261  676.950    72.399   652.381    103.438  700.546    101.369  72.668  5.9178  75.392  5.5810  -2.724014      8.134308 
1 1 1 -7  9   39 o 85.638  4.0247  894.915    83.632   965.911    119.818  827.466    116.786  88.560  5.6049  81.869  5.9189  6.690971       8.151593 
1 1 1 -7  9   40 o 85.528  4.0611  892.963    84.277   983.677    120.053  804.822    118.338  89.359  5.5645  80.668  6.0908  8.691544       8.249945 
1 1 1 -7  9   41 o 20.193  7.6186  37.557     50.946   -9.7569    58.066   195.777    106.183  17.066  7.4442  38.685  10.865  -21.61881      13.17031 
1 1 1 -7  9   42 o 45.260  11.711  272.976    129.594  0.0000     0.0000   272.976    129.594  ?       ?       45.260  11.711  0.000000       11.71115 
1 1 1 -7  9   43 o 25.005  8.2080  75.712     57.546   0.0000     0.0000   75.712     57.546   ?       ?       25.005  8.2080  0.000000       8.207987 
1 1 1 -7  9   44 o 57.727  4.6711  411.589    64.867   325.126    92.593   494.926    90.903   50.414  7.8229  62.992  6.0208  -12.57788      9.871563 
1 1 1 -7  9   45 o 56.975  4.7741  401.787    65.390   319.626    92.379   484.295    92.573   49.878  7.8961  62.188  6.2184  -12.31058      10.05066 
1 1 1 -7  9   46 o 48.869  7.9050  308.035    90.533   425.375    214.093  282.484    99.905   54.197  15.500  46.292  9.2184  7.905315       18.03403 
1 1 1 -7  9   47 o 63.628  6.8823  512.610    104.562  572.147    227.048  496.584    117.797  62.828  15.084  62.171  7.9940  0.6567802      17.07167 
1 1 1 -7  9   48 o 34.616  6.8431  155.101    55.440   190.451    82.028   125.375    75.220   37.803  9.0608  30.922  9.2826  6.881794       12.97165 
1 1 1 -7  9   49 o 39.321  6.2846  197.360    57.942   198.139    82.965   196.619    80.956   38.564  9.0262  38.462  8.8575  0.1021194      12.64625 
1 1 1 -7  9   50 o 66.113  4.8393  542.015    77.092   590.391    108.136  492.016    109.935  68.401  6.5973  62.057  7.4499  6.344589       9.951124 
1 1 1 -7  9   51 o 70.771  4.7045  620.060    80.325   658.082    111.788  579.475    115.496  72.300  6.4397  67.521  7.1588  4.779312       9.629015 
1 1 1 -7  9   52 f 71.456  5.0140  634.371    86.382   555.017    110.985  756.315    137.582  66.059  7.0323  77.008  7.4565  -10.94892      10.24949 
1 1 1 -7  9   53 o 26.876  7.2311  94.621     48.189   98.635     54.322   79.796     104.398  27.430  7.7947  28.050  10.826  -0.6198120     13.33994 
1 1 1 -7  10  1  o 325.560 9.5880  12880.77   757.393  13243.73   1084.55  12535.25   1058.17  329.832 13.552  320.885 13.591  8.946686       19.19254 
1 1 1 -7  10  2  o 83.505  4.7883  849.131    96.615   957.088    148.521  769.933    127.210  88.505  6.9725  79.351  6.6689  9.154617       9.648278 
1 1 1 -7  10  3  o 937.006 25.860  107841.90  5879.53  108541.20  8330.13  107147.70  8299.78  934.207 36.749  928.125 36.855  6.081970       52.04586 
1 1 1 -7  10  4  o 147.954 3.9854  2656.54    143.074  2576.48    201.808  2737.44    202.872  145.685 5.7090  150.169 5.5677  -4.483719      7.974461 
1 1 1 -7  10  5  o 203.516 4.9028  5027.18    242.104  5313.75    341.821  4738.70    342.956  209.195 6.7342  197.540 7.1551  11.65424       9.825741 
1 1 1 -7  10  6  o 532.563 10.627  34481.84   1373.19  35050.44   1941.43  33912.60   1942.53  536.388 14.917  527.572 15.175  8.816223       21.27882 
1 1 1 -7  10  7  o 238.971 5.4640  6932.18    316.826  6984.98    447.565  6879.16    448.557  239.813 7.6916  237.987 7.7678  1.826065       10.93162 
1 1 1 -7  10  8  o 442.271 8.9583  23767.29   961.341  23921.77   1359.34  23612.72   1359.74  443.369 12.636  440.487 12.722  2.882507       17.93079 
1 1 1 -7  10  9  o 251.984 5.6810  7708.29    347.348  8053.72    491.269  7362.98    491.179  257.494 7.8630  246.190 8.2225  11.30371       11.37704 
1 1 1 -7  10  10 o 529.245 10.499  34058.84   1348.28  34313.47   1906.98  33804.32   1906.54  530.626 14.811  526.657 14.920  3.968689       21.02299 
1 1 1 -7  10  11 o 380.940 7.7649  17628.58   717.719  17725.80   1015.04  17531.37   1014.97  381.742 10.958  379.637 11.018  2.104797       15.54012 
1 1 1 -7  10  12 o 169.404 4.3836  3483.19    180.187  3454.72    254.362  3511.86    255.285  168.672 6.2151  170.062 6.1866  -1.389893      8.769352 
1 1 1 -7  10  13 o 351.204 7.2761  14984.72   620.046  14479.03   876.889  15490.38   876.866  344.973 10.476  356.851 10.127  -11.87787      14.57064 
1 1 1 -7  10  14 o 623.707 12.347  47407.81   1868.56  47481.26   2642.67  47334.38   2642.41  622.784 17.488  621.812 17.514  0.9721680      24.74997 
1 1 1 -7  10  15 o 460.222 9.0877  25771.29   1014.81  25151.17   1435.24  26391.26   1435.07  453.953 13.030  465.075 12.717  -11.12247      18.20737 
1 1 1 -7  10  16 f 273.872 6.0174  9113.90    399.871  9200.26    565.762  9027.70    565.245  274.957 8.4802  272.359 8.5533  2.598022       12.04457 
1 1 1 -7  10  17 o 459.276 9.5003  25710.07   1058.70  25712.08   1497.70  25708.05   1496.77  458.219 13.471  458.186 13.463  0.3359985E-01  19.04510 
1 1 1 -7  10  18 o 277.006 6.1475  9330.55    413.191  9281.67    583.895  9379.58    584.787  275.959 8.7202  277.416 8.6876  -1.456482      12.30922 
1 1 1 -7  10  19 o 188.785 6.7691  4337.38    310.072  4517.16    413.386  4106.13    468.848  192.444 8.8529  182.968 10.606  9.475937       13.81542 
1 1 1 -7  10  20 o 147.411 6.1707  2643.56    220.714  3154.67    287.060  1904.48    345.193  160.939 7.3510  124.165 11.592  36.77485       13.72617 
1 1 1 -7  10  21 o 315.028 9.6744  12121.01   739.502  12694.77   1020.70  11487.09   1072.88  321.510 13.084  305.420 14.477  16.09045       19.51368 
1 1 1 -7  10  22 o 141.243 4.1571  2423.26    142.469  2411.28    202.314  2435.06    200.659  140.805 5.9217  141.502 5.8443  -0.6972046     8.320001 
1 1 1 -7  10  23 o 84.200  3.7674  860.991    76.970   847.227    108.758  874.803    108.945  83.305  5.4098  84.663  5.3305  -1.358162      7.594793 
1 1 1 -7  10  24 o 277.902 6.1619  9395.37    415.500  9605.38    588.389  9186.47    586.825  280.618 8.6414  274.401 8.8137  6.217255       12.34323 
1 1 1 -7  10  25 o 407.566 8.3491  20257.85   825.664  20276.13   1168.59  20239.62   1166.74  406.683 11.842  406.319 11.834  0.3634949      16.74202 
1 1 1 -7  10  26 o 142.872 4.2708  2480.00    148.054  2555.35    209.679  2405.08    209.083  144.928 5.9626  140.592 6.1291  4.336792       8.550948 
1 1 1 -7  10  27 o 123.833 4.1780  1863.12    125.535  1890.38    177.151  1835.62    177.917  124.648 5.8573  122.822 5.9700  1.825478       8.363551 
1 1 1 -7  10  28 o 23.264  9.4797  24.863     84.291   -267.4569  152.330  153.871    101.196  20.136  9.7936  35.372  10.800  -15.23647      14.57933 
1 1 1 -7  10  29 o 42.116  9.3388  225.553    92.931   479.391    165.814  109.305    112.211  61.473  11.540  32.119  11.435  29.35397       16.24599 
1 1 1 -7  10  30 o 153.997 6.5945  2892.22    246.409  2652.07    388.268  3054.16    318.848  146.389 11.012  157.786 8.3580  -11.39616      13.82434 
1 1 1 -7  10  31 o 52.354  4.7491  336.335    59.673   295.615    81.208   384.128    87.978   48.689  7.0814  55.705  6.6399  -7.016029      9.707408 
1 1 1 -7  10  32 o 57.521  4.2634  404.861    59.080   365.894    86.122   439.500    81.198   54.310  6.6760  59.759  5.6677  -5.448769      8.757368 
1 1 1 -7  10  33 o 146.613 6.1914  2628.32    220.257  2628.32    220.257  0.0000     0.0000   146.613 6.1914  ?       ?       0.000000       6.191434 
1 1 1 -7  10  34 o 116.982 6.0348  1679.05    170.713  1679.05    170.713  0.0000     0.0000   116.982 6.0348  ?       ?       0.000000       6.034818 
1 1 1 -7  10  35 o 34.906  5.5637  152.683    45.541   232.150    67.001   84.443     62.088   43.002  6.6349  26.442  8.5152  16.56028       10.79489 
1 1 1 -7  10  36 o 63.265  4.2145  490.363    64.326   523.881    92.919   459.516    89.139   65.098  5.9484  60.900  6.1149  4.197598       8.530874 
1 1 1 -7  10  37 o 64.595  4.1293  511.139    64.381   509.709    92.416   512.487    89.741   64.160  6.0063  64.378  5.8075  -0.2180862     8.354760 
1 1 1 -7  10  38 o 110.910 4.0952  1501.31    110.208  1513.62    157.638  1489.55    154.137  110.864 5.8812  110.000 5.7954  0.8639908      8.256807 
1 1 1 -7  10  39 o 125.817 4.2812  1933.67    130.697  1942.97    187.008  1924.78    182.732  125.670 6.1329  125.112 6.0194  0.5580368      8.593350 
1 1 1 -7  10  40 o 54.895  5.7975  374.418    76.052   377.518    90.402   366.911    140.678  54.848  6.9487  52.754  11.328  2.093513       13.28979 
1 1 1 -7  10  41 o 59.429  5.7116  438.306    81.346   401.286    97.457   523.344    147.707  56.437  7.2870  63.703  9.8757  -7.266365      12.27316 
1 1 1 -7  10  42 o 38.720  7.4808  192.587    67.739   0.0000     0.0000   192.587    67.739   ?       ?       38.720  7.4808  0.000000       7.480822 
1 1 1 -7  10  43 o 43.930  5.5108  241.393    57.449   272.614    84.819   214.930    78.088   46.076  7.8693  40.711  8.1888  5.365086       11.35704 
1 1 1 -7  10  44 o 81.666  4.3851  820.398    86.574   801.326    120.955  840.433    123.969  80.136  6.2706  82.078  6.2722  -1.942017      8.869106 
1 1 1 -7  10  45 o 87.023  5.5424  940.191    116.420  825.152    272.497  965.877    128.762  76.114  15.286  88.011  6.0666  -11.89751      16.44558 
1 1 1 -7  10  46 o 45.450  8.1718  269.008    86.806   664.844    214.446  191.437    94.932   69.139  13.266  37.740  10.147  31.39864       16.70148 
1 1 1 -7  10  47 o 16.208  6.8988  2.5372     47.562   71.995     70.996   -54.0181   64.063   25.253  9.0842  15.274  7.1102  9.978898       11.53596 
1 1 1 -7  10  48 o 44.389  5.8636  249.033    61.609   172.784    88.190   321.715    86.103   35.863  9.8383  50.053  7.3049  -14.19006      12.25375 
1 1 1 -7  10  49 o 52.467  5.2822  344.060    66.331   375.461    94.194   313.170    93.424   54.122  7.3640  49.064  8.1323  5.057529       10.97102 
1 1 1 -7  10  50 o 20.566  7.3942  46.145     47.032   -5.2156    70.996   86.312     62.785   19.030  8.2668  26.267  8.5711  -7.237129      11.90815 
1 1 1 -7  10  51 o 45.126  6.4141  259.349    68.254   278.505    87.896   230.253    108.325  46.172  8.1432  41.037  10.750  5.134781       13.48634 
1 1 1 -7  10  52 o 28.350  8.4768  105.129    62.820   71.884     75.417   180.473    113.535  25.450  9.3317  36.445  11.491  -10.99421      14.80320 
1 1 1 -7  11  1  o 350.123 10.201  14901.29   866.607  15297.61   1239.35  14522.12   1212.24  354.404 14.412  345.299 14.469  9.105164       20.42189 
1 1 1 -7  11  2  o 400.489 8.0625  19482.51   783.477  20195.47   1106.44  18765.50   1109.58  407.521 11.190  392.790 11.642  14.73047       16.14762 
1 1 1 -7  11  3  o 432.789 8.7879  22757.12   922.836  23065.26   1303.71  22447.66   1306.47  435.402 12.340  429.514 12.536  5.888428       17.59072 
1 1 1 -7  11  4  o 297.176 6.3464  10722.38   457.617  10817.04   646.208  10627.15   648.132  298.374 8.9258  295.738 9.0322  2.635895       12.69843 
1 1 1 -7  11  5  o 271.080 5.9424  8921.12    390.861  9488.35    552.010  8350.79    553.516  279.483 8.1401  262.171 8.7012  17.31183       11.91521 
1 1 1 -7  11  6  o 402.395 8.2123  19669.92   801.831  19562.80   1133.29  19777.29   1134.63  401.035 11.647  403.232 11.597  -2.197052      16.43547 
1 1 1 -7  11  7  o 281.913 6.1313  9649.04    419.404  9623.19    592.674  9674.98    593.579  281.431 8.6792  282.188 8.6692  -0.7568665     12.26715 
1 1 1 -7  11  8  o 598.341 11.846  43557.55   1719.76  42850.02   2431.64  44265.62   2432.57  592.591 16.911  602.355 16.644  -9.763428      23.72779 
1 1 1 -7  11  9  o 294.632 6.2269  10540.18   445.160  10354.72   629.326  10725.91   629.778  291.904 8.8853  297.098 8.7362  -5.194122      12.46072 
1 1 1 -7  11  10 f 189.034 4.7016  4337.39    215.652  4756.74    305.169  3919.09    304.788  197.921 6.3545  179.634 6.9927  18.28687       9.448711 
1 1 1 -7  11  11 f 255.638 5.7020  7934.61    353.684  8190.28    500.635  7679.85    499.736  259.628 7.9470  251.396 8.1925  8.232254       11.41374 
1 1 1 -7  11  12 o 385.575 7.9088  18066.66   739.918  18087.89   1046.65  18045.45   1046.15  385.479 11.190  385.026 11.198  0.4533997      15.83083 
1 1 1 -7  11  13 o 344.977 7.1403  14460.61   597.679  14161.17   845.162  14760.16   845.329  341.110 10.211  348.272 10.003  -7.161621      14.29465 
1 1 1 -7  11  14 o 164.693 4.3562  3292.92    174.079  3090.55    245.735  3496.78    246.636  159.490 6.3499  169.662 5.9911  -10.17178      8.730122 
1 1 1 -7  11  15 o 322.836 6.7609  12669.59   529.602  12593.61   749.200  12745.49   748.741  321.542 9.6028  323.483 9.5393  -1.941528      13.53554 
1 1 1 -7  11  16 o 163.014 4.4044  3227.17    174.210  3094.48    246.778  3358.98    245.964  159.538 6.3749  166.232 6.0981  -6.693649      8.821924 
1 1 1 -7  11  17 o 121.104 3.9285  1781.00    115.437  1729.75    163.511  1831.93    162.996  119.289 5.6491  122.769 5.4717  -3.479874      7.864632 
1 1 1 -7  11  18 o 318.724 9.7137  12404.49   751.213  12834.04   1038.60  11933.23   1087.86  323.301 13.240  311.410 14.397  11.89148       19.55932 
1 1 1 -7  11  19 o 158.082 6.2695  3040.51    240.482  3309.60    314.682  2662.73    372.858  164.793 7.8699  147.189 10.509  17.60388       13.12926 
1 1 1 -7  11  20 o 344.671 10.392  14525.85   869.088  15031.31   1203.02  13974.11   1256.90  349.441 14.188  336.498 15.394  12.94275       20.93541 
1 1 1 -7  11  21 o 331.015 9.8479  13385.96   790.960  12893.26   1091.36  13931.10   1147.96  323.757 13.893  336.480 14.061  -12.72217      19.76625 
1 1 1 -7  11  22 o 157.927 4.2696  3029.81    163.609  3001.02    231.046  3058.77    231.712  157.070 6.0624  158.577 6.0221  -1.506836      8.545017 
1 1 1 -7  11  23 o 298.119 6.5155  10815.90   471.302  10934.92   667.301  10697.43   665.744  299.296 9.1888  296.012 9.2690  3.283966       13.05173 
1 1 1 -7  11  24 o 222.805 5.2953  6035.32    286.273  6093.56    405.803  5977.61    403.907  223.643 7.4782  221.500 7.5153  2.142700       10.60201 
1 1 1 -7  11  25 o 249.102 5.7912  7548.00    350.031  7571.92    495.951  7524.26    494.091  249.166 8.2033  248.381 8.1983  0.7846985      11.59765 
1 1 1 -7  11  26 o 239.867 5.6155  6998.76    326.830  6846.54    463.101  7149.81    461.319  236.914 8.0560  242.137 7.8519  -5.222870      11.24954 
1 1 1 -7  11  27 o 439.011 12.927  23738.61   1377.03  23407.68   1984.40  24045.98   1912.43  432.249 18.920  438.788 17.963  -6.539185      26.08896 
1 1 1 -7  11  28 o 198.581 6.9918  4808.06    336.894  5589.24    514.928  4223.44    445.465  213.566 9.9369  185.390 9.9391  28.17610       14.05449 
1 1 1 -7  11  29 o 248.297 8.2900  7540.17    499.451  7360.39    744.675  7687.17    673.357  243.719 12.636  249.910 11.104  -6.190536      16.82187 
1 1 1 -7  11  30 o 40.759  5.6903  206.339    54.741   123.701    73.741   307.781    81.702   31.433  9.1284  49.725  6.9625  -18.29271      11.48054 
1 1 1 -7  11  31 o 185.998 4.7714  4213.18    215.335  4239.06    306.230  4187.86    302.858  186.208 6.7777  185.087 6.7437  1.120895       9.561136 
1 1 1 -7  11  32 o 86.953  5.7859  927.394    121.375  927.394    121.375  0.0000     0.0000   86.953  5.7859  ?       ?       0.000000       5.785891 
1 1 1 -7  11  33 o 133.529 6.1052  2182.00    197.807  2182.00    197.807  0.0000     0.0000   133.529 6.1052  ?       ?       0.000000       6.105206 
1 1 1 -7  11  34 o 65.930  4.1026  531.757    65.305   520.417    94.548   542.103    90.308   64.899  6.0749  66.325  5.6659  -1.426033      8.307054 
1 1 1 -7  11  35 o 59.527  4.6979  435.405    67.303   408.262    88.533   472.567    103.593  57.295  6.4823  61.564  7.0627  -4.268993      9.586537 
1 1 1 -7  11  36 o 34.147  5.6162  146.586    44.915   125.587    65.248   165.498    61.922   31.274  8.4141  35.985  7.3405  -4.711096      11.16597 
1 1 1 -7  11  37 o 108.567 4.1484  1438.76    109.281  1534.67    157.487  1349.69    151.765  111.648 5.8337  104.639 6.0025  7.009384       8.370291 
1 1 1 -7  11  38 f 73.363  4.1969  659.365    74.397   747.662    107.599  578.483    102.981  77.821  5.7388  68.273  6.2871  9.547844       8.512397 
1 1 1 -7  11  39 o 101.687 5.7336  1274.65    140.889  1434.16    176.056  990.583    234.948  107.550 6.7812  87.555  11.325  19.99509       13.19967 
1 1 1 -7  11  40 o 123.481 5.8099  1876.43    174.075  1860.80    218.984  1903.25    286.915  122.214 7.4198  122.465 9.7359  -0.2517548     12.24092 
1 1 1 -7  11  41 o 83.713  9.9938  900.326    198.982  0.0000     0.0000   900.326    198.982  ?       ?       83.713  9.9938  0.000000       9.993779 
1 1 1 -7  11  42 o 59.396  6.7379  443.203    95.388   0.0000     0.0000   443.203    95.388   ?       ?       59.396  6.7379  0.000000       6.737937 
1 1 1 -7  11  43 o 41.712  5.6927  218.707    56.111   183.751    82.302   249.067    76.701   37.326  9.1565  44.072  7.4373  -6.745705      11.79639 
1 1 1 -7  11  44 o 28.859  7.1420  108.247    49.740   124.904    74.982   95.156     66.470   30.993  9.2597  27.513  8.8054  3.480278       12.77796 
1 1 1 -7  11  45 o 18.191  7.6527  8.4995     57.410   11.844     182.123  8.1304     60.494   30.408  13.225  18.589  7.8398  11.81900       15.37421 
1 1 1 -7  11  46 o 17.862  7.4990  9.0606     54.941   -144.5147  183.488  24.186     57.583   25.215  11.834  19.504  7.8760  5.711533       14.21494 
1 1 1 -7  11  47 o 31.582  7.0215  130.053    52.413   114.214    75.161   145.047    73.128   29.706  9.3477  33.032  8.9164  -3.325310      12.91826 
1 1 1 -7  11  48 o 19.531  7.4984  34.276     49.897   93.573     74.220   -14.6291   67.403   27.547  9.3280  17.936  7.9153  9.611336       12.23370 
1 1 1 -7  11  49 o 35.502  6.6721  162.633    55.365   180.097    81.072   147.371    75.789   36.717  9.1367  33.281  9.1165  3.436481       12.90693 
1 1 1 -7  11  50 o 44.120  5.9996  246.669    62.562   294.085    87.794   197.748    89.176   47.580  7.8804  38.331  9.6069  9.248257       12.42555 
1 1 1 -7  11  51 o 31.601  8.2396  132.440    63.829   141.824    77.223   112.204    113.405  32.589  9.3051  30.993  11.431  1.595865       14.73952 
1 1 1 -7  11  52 o 29.862  8.4087  118.480    63.516   116.057    75.889   124.146    116.061  29.738  9.3971  31.835  11.591  -2.097374      14.92159 
1 1 1 -7  12  1  o 128.896 3.7809  2016.20    118.248  2006.43    166.120  2026.24    168.360  128.566 5.3251  129.199 5.3705  -0.6324463     7.563025 
1 1 1 -7  12  2  o 435.317 8.7667  23024.14   925.990  22856.36   1307.96  23192.75   1311.15  433.405 12.438  436.589 12.377  -3.183929      17.54657 
1 1 1 -7  12  3  o 59.731  3.6112  434.542    52.091   435.608    73.476   433.465    73.861   59.687  5.1231  59.535  5.1643  0.1519661      7.274348 
1 1 1 -7  12  4  o 565.167 11.166  38845.46   1531.16  39469.49   2164.20  38220.05   2166.59  569.021 15.675  559.895 15.948  9.125732       22.36159 
1 1 1 -7  12  5  o 487.341 9.7557  28867.95   1153.60  28325.53   1630.53  29411.59   1632.35  482.270 13.934  491.462 13.689  -9.191437      19.53293 
1 1 1 -7  12  6  o 449.857 9.1429  24593.28   997.981  24626.66   1410.65  24559.83   1412.07  449.783 12.926  449.169 12.956  0.6142578      18.30132 
1 1 1 -7  12  7  o 571.286 11.242  39699.55   1558.36  39338.64   2203.18  40060.91   2204.54  567.919 15.988  573.135 15.852  -5.215576      22.51493 
1 1 1 -7  12  8  o 410.135 8.2900  20438.07   824.980  19844.01   1166.07  21033.40   1167.32  403.809 11.901  415.770 11.571  -11.96054      16.59894 
1 1 1 -7  12  9  o 343.701 7.2684  14349.19   606.158  14017.74   856.701  14681.48   857.775  339.491 10.400  347.454 10.174  -7.963074      14.54927 
1 1 1 -7  12  10 o 92.560  3.6686  1039.75    82.394   1097.43    116.512  982.060    116.533  94.943  5.0760  89.778  5.3742  5.164948       7.392437 
1 1 1 -7  12  11 f 270.936 5.9877  8914.57    393.632  8833.76    556.859  8995.27    556.501  269.569 8.5136  272.027 8.4312  -2.458344      11.98191 
1 1 1 -7  12  12 o 207.174 5.0261  5211.35    252.657  5295.41    358.058  5128.00    356.569  208.756 7.0689  205.426 7.1536  3.330200       10.05698 
1 1 1 -7  12  13 o 362.943 7.4080  16014.25   652.386  15769.27   922.930  16258.90   922.296  359.773 10.572  365.340 10.404  -5.566895      14.83324 
1 1 1 -7  12  14 o 186.858 4.7022  4240.23    213.196  4105.24    301.140  4375.87    301.872  183.763 6.7538  189.734 6.5571  -5.971558      9.413240 
1 1 1 -7  12  15 o 475.531 9.6684  27571.41   1115.57  27478.09   1578.00  27664.64   1577.31  473.527 13.734  475.150 13.681  -1.622955      19.38548 
1 1 1 -7  12  16 o 182.278 4.6994  4036.44    207.846  4091.99    294.595  3981.39    293.287  183.404 6.6199  180.904 6.6816  2.500168       9.405717 
1 1 1 -7  12  17 o 84.771  5.2710  876.872    107.882  818.620    137.044  971.788    174.935  81.710  6.9793  88.918  8.2006  -7.208496      10.76846 
1 1 1 -7  12  18 o 392.040 11.518  18829.67   1095.65  19043.64   1525.31  18601.58   1574.83  392.481 16.017  387.562 16.747  4.918945       23.17300 
1 1 1 -7  12  19 o 286.900 8.7742  10042.82   610.805  9587.00    837.800  10559.98   892.399  279.538 12.352  293.331 12.538  -13.79282      17.60051 
1 1 1 -7  12  20 o 149.842 6.0540  2731.25    220.109  2672.33    284.670  2818.84    347.092  147.861 7.9639  151.642 9.4808  -3.780609      12.38187 
1 1 1 -7  12  21 o 230.451 5.3699  6456.59    300.266  6283.43    423.681  6631.32    425.606  227.089 7.6892  233.313 7.5180  -6.223999      10.75380 
1 1 1 -7  12  22 o 189.752 4.7435  4375.52    218.397  4288.00    307.301  4464.83    310.444  187.685 6.7479  191.522 6.6804  -3.837204      9.495360 
1 1 1 -7  12  23 o 21.675  6.8548  56.238     40.375   -5.0947    59.361   109.039    55.078   17.766  7.6379  29.375  7.6513  -11.60888      10.81115 
1 1 1 -7  12  24 o 260.262 5.9568  8240.93    376.176  8392.61    533.481  8090.94    530.517  262.286 8.3826  257.510 8.4907  4.775543       11.93146 
1 1 1 -7  12  25 o 261.475 5.8143  8318.16    368.888  8376.58    523.596  8260.58    519.799  262.018 8.2357  260.198 8.2332  1.820190       11.64525 
1 1 1 -7  12  26 o 371.109 11.198  16899.36   1008.35  16580.86   1464.75  17186.26   1390.21  365.171 16.531  372.383 15.386  -7.212280      22.58342 
1 1 1 -7  12  27 o 24.414  9.6785  39.068     85.328   29.393     171.050  42.273     98.453   31.948  13.308  26.008  10.369  5.940355       16.87087 
1 1 1 -7  12  28 o 223.112 7.8041  6081.93    422.486  5850.51    642.273  6258.44    560.925  217.393 12.226  225.755 10.240  -8.361664      15.94771 
1 1 1 -7  12  29 o 97.732  4.1015  1161.49    97.263   1091.19    138.032  1230.83    137.075  94.408  6.0577  100.345 5.6529  -5.937508      8.285562 
1 1 1 -7  12  30 o 170.741 4.6636  3549.45    193.206  3661.23    274.771  3440.14    271.722  173.110 6.5416  167.778 6.6746  5.332382       9.345762 
1 1 1 -7  12  31 o 81.068  5.9859  807.188    116.913  807.188    116.913  0.0000     0.0000   81.068  5.9859  ?       ?       0.000000       5.985940 
1 1 1 -7  12  32 o 55.284  6.6082  379.661    86.886   379.661    86.886   0.0000     0.0000   55.284  6.6082  ?       ?       0.000000       6.608175 
1 1 1 -7  12  33 o 75.214  6.0881  697.452    110.155  697.452    110.155  0.0000     0.0000   75.214  6.0881  ?       ?       0.000000       6.088119 
1 1 1 -7  12  34 o 111.024 4.1402  1503.09    111.533  1566.01    160.793  1444.74    154.838  112.880 5.8911  108.405 5.9089  4.475060       8.343837 
1 1 1 -7  12  35 o 97.186  4.0840  1152.21    96.306   1081.58    139.699  1216.17    132.946  93.633  6.1838  99.471  5.5301  -5.838303      8.295854 
1 1 1 -7  12  36 o 15.422  6.2044  13.596     35.589   3.8256     53.753   21.222     47.489   17.445  7.3754  18.078  7.2033  -0.6330948     10.30946 
1 1 1 -7  12  37 o 116.608 4.2719  1660.94    120.870  1756.53    174.119  1572.04    167.921  119.368 6.0312  112.872 6.1546  6.496269       8.617063 
1 1 1 -7  12  38 o 125.164 5.9448  1927.15    180.545  2018.95    228.126  1773.27    295.363  127.425 7.4103  117.993 10.424  9.432983       12.78938 
1 1 1 -7  12  39 f 87.792  5.5738  950.998    118.116  942.696    145.205  967.236    203.072  87.009  6.9355  87.067  9.7817  -0.5722809E-01 11.99096 
1 1 1 -7  12  40 o 91.483  9.9427  1072.10    217.149  0.0000     0.0000   1072.10    217.149  ?       ?       91.483  9.9427  0.000000       9.942652 
1 1 1 -7  12  41 o 46.593  7.0187  275.487    76.887   0.0000     0.0000   275.487    76.887   ?       ?       46.593  7.0187  0.000000       7.018737 
1 1 1 -7  12  42 o 83.978  4.5393  867.945    92.152   937.013    132.264  802.789    128.463  86.695  6.3314  80.092  6.6710  6.602623       9.197200 
1 1 1 -7  12  43 o 99.553  4.3345  1216.34    104.701  1157.82    148.571  1274.07    147.574  96.285  6.3957  101.175 6.0389  -4.890320      8.796232 
1 1 1 -7  12  44 o 55.019  7.2867  386.204    94.882   461.596    221.623  369.284    104.990  56.153  15.670  53.369  8.3840  2.783302       17.77210 
1 1 1 -7  12  45 o 50.896  7.7754  334.482    92.976   365.640    220.021  327.709    102.585  49.872  16.026  49.973  8.7808  -0.1013107     18.27412 
1 1 1 -7  12  46 o 74.215  4.5150  680.900    80.917   660.347    114.957  701.083    113.917  72.312  6.6255  74.642  6.3502  -2.329971      9.177238 
1 1 1 -7  12  47 o 29.213  7.0759  111.584    49.625   152.585    70.543   71.416     69.823   33.888  8.5727  25.079  9.0102  8.808952       12.43685 
1 1 1 -7  12  48 o 28.597  7.4288  107.123    52.012   174.988    75.393   45.491     71.847   36.280  8.6807  22.890  8.9399  13.38983       12.46096 
1 1 1 -7  12  49 o 30.095  7.1571  118.498    51.500   39.975     76.540   183.456    69.615   22.889  9.1372  37.362  7.9247  -14.47340      12.09497 
1 1 1 -7  12  50 o 38.919  7.7925  198.710    71.020   210.191    88.313   177.692    119.486  39.531  9.3531  36.329  11.823  3.202065       15.07494 
1 1 1 -7  12  51 f 34.716  7.9553  159.880    65.576   163.191    79.488   152.826    116.028  34.765  9.2580  34.083  11.662  0.6827316      14.89028 
1 1 1 -7  13  1  o 634.153 12.496  48938.61   1922.72  49524.20   2717.72  48351.79   2720.57  636.982 17.584  629.346 17.816  7.635376       25.03186 
1 1 1 -7  13  2  o 433.565 8.6007  22839.04   904.801  22617.15   1278.02  23062.02   1281.15  431.133 12.217  435.361 12.128  -4.228760      17.21452 
1 1 1 -7  13  3  o 212.326 4.9753  5472.12    256.320  5535.15    361.183  5408.15    363.814  213.494 6.9723  211.027 7.1052  2.467392       9.954765 
1 1 1 -7  13  4  o 233.293 5.2942  6606.73    299.686  6449.88    422.733  6765.21    424.916  230.438 7.5604  236.009 7.4201  -5.570908      10.59330 
1 1 1 -7  13  5  o 404.404 9.5666  19879.14   938.724  21488.48   1613.07  19055.02   1154.32  419.755 15.838  395.713 12.022  24.04208       19.88387 
1 1 1 -7  13  6  o 262.364 5.8927  8357.38    375.129  8671.41    529.831  8041.73    531.196  267.154 8.1736  257.256 8.5099  9.898193       11.79938 
1 1 1 -7  13  7  o 146.596 4.1190  2608.24    146.512  2721.59    206.593  2493.55    207.812  149.721 5.6868  143.306 5.9764  6.415100       8.249681 
1 1 1 -7  13  8  o 574.838 11.322  40213.68   1579.13  41108.70   2232.51  39317.49   2233.96  580.336 15.854  567.470 16.224  12.86536       22.68461 
1 1 1 -7  13  9  o 336.486 7.1434  13754.65   583.227  14237.32   824.132  13270.39   825.484  342.125 9.9277  330.271 10.301  11.85464       14.30619 
1 1 1 -7  13  10 o 486.942 9.7717  28846.67   1154.55  29151.20   1632.23  28541.72   1633.32  488.838 13.761  483.671 13.917  5.167542       19.57198 
1 1 1 -7  13  11 o 215.695 5.0912  5649.22    266.454  5605.05    377.057  5693.28    376.589  214.755 7.2360  216.442 7.1707  -1.686981      10.18720 
1 1 1 -7  13  12 o 415.468 8.5628  21002.46   863.214  21099.75   1221.09  20905.27   1220.44  415.828 12.102  413.897 12.152  1.930695       17.15075 
1 1 1 -7  13  13 f 270.348 5.9593  8881.82    390.915  8741.04    552.886  9022.56    552.789  267.966 8.5034  272.261 8.3678  -4.295563      11.93010 
1 1 1 -7  13  14 o 179.732 4.6048  3923.68    200.818  3743.04    283.750  4104.94    284.248  175.433 6.6659  183.738 6.3758  -8.304565      9.224195 
1 1 1 -7  13  15 o 268.069 5.7891  8736.87    376.551  8752.58    532.688  8721.18    532.361  268.023 8.1910  267.541 8.2007  0.4824829      11.59069 
1 1 1 -7  13  16 o 178.110 6.5914  3860.57    284.859  4175.73    381.982  3465.69    427.565  185.047 8.5074  168.029 10.540  17.01778       13.54533 
1 1 1 -7  13  17 o 212.373 7.2214  5493.32    372.124  5665.08    504.461  5288.28    551.160  215.337 9.6549  207.558 10.983  7.778809       14.62340 
1 1 1 -7  13  18 o 357.139 10.775  15608.86   933.735  16448.54   1295.76  14701.83   1346.72  365.297 14.619  344.780 16.098  20.51736       21.74524 
1 1 1 -7  13  19 o 186.442 6.6460  4230.98    300.655  4289.53    404.148  4158.42    449.903  187.487 8.8839  184.172 10.106  3.315399       13.45595 
1 1 1 -7  13  20 o 150.193 4.2911  2740.48    156.382  2616.72    219.525  2867.99    222.825  146.656 6.1691  153.549 5.9807  -6.893082      8.592238 
1 1 1 -7  13  21 o 136.917 4.2051  2277.32    139.699  2276.58    195.728  2278.09    199.453  136.807 5.8963  136.846 6.0068  -0.3877258E-01 8.417164 
1 1 1 -7  13  22 o 266.315 5.8771  8627.39    379.770  8602.63    536.514  8652.25    537.640  265.577 8.3258  266.343 8.3193  -0.7658997     11.76988 
1 1 1 -7  13  23 o 192.460 4.9863  4502.75    232.854  4452.17    329.165  4553.41    329.447  191.181 7.0959  193.350 7.0223  -2.169327      9.983162 
1 1 1 -7  13  24 o 274.400 6.1995  9164.63    412.765  9305.08    585.554  9025.92    581.938  276.052 8.7420  271.864 8.8219  4.188538       12.41967 
1 1 1 -7  13  25 o 119.874 6.3153  1754.53    183.042  1755.54    307.227  1753.97    227.908  119.197 10.738  119.642 7.8952  -0.4443130     13.32794 
1 1 1 -7  13  26 o 153.628 6.6152  2876.04    246.589  2621.11    394.727  3039.20    315.792  145.635 11.258  157.513 8.2919  -11.87823      13.98188 
1 1 1 -7  13  27 o 171.653 6.8298  3593.89    284.462  3576.14    448.323  3605.85    368.034  170.188 10.914  171.398 8.8799  -1.211044      14.07035 
1 1 1 -7  13  28 o 246.068 5.6380  7377.71    336.626  7779.87    477.794  6981.33    474.347  252.187 7.8083  238.796 8.1866  13.39027       11.31324 
1 1 1 -7  13  29 o 103.609 4.1255  1305.96    103.715  1298.34    147.025  1313.50    146.327  102.991 5.9081  103.602 5.8448  -0.6110458     8.310658 
1 1 1 -7  13  30 o 142.064 4.3406  2457.40    149.623  2493.64    214.885  2423.30    208.460  142.839 6.2000  140.827 6.1006  2.012497       8.698171 
1 1 1 -7  13  31 o 35.675  8.2789  162.943    70.281   162.943    70.281   0.0000     0.0000   35.675  8.2789  ?       ?       0.000000       8.278939 
1 1 1 -7  13  32 o 35.569  8.2163  162.281    69.482   162.281    69.482   0.0000     0.0000   35.569  8.2163  ?       ?       0.000000       8.216308 
1 1 1 -7  13  33 o 190.512 5.0059  4436.06    231.404  4513.25    330.318  4361.68    324.274  191.445 7.1109  188.207 7.1009  3.238037       10.04925 
1 1 1 -7  13  34 o 91.605  4.1005  1023.69    91.142   1038.41    132.334  1010.41    125.711  91.790  5.9742  90.592  5.7488  1.198471       8.290934 
1 1 1 -7  13  35 o 21.049  6.8991  52.596     40.661   34.262     59.722   68.437     55.515   20.917  8.1558  24.123  8.0679  -3.206079      11.47204 
1 1 1 -7  13  36 o 131.923 4.3442  2126.47    139.059  2141.19    199.552  2112.58    193.888  131.886 6.2358  131.043 6.0978  0.8428040      8.721731 
1 1 1 -7  13  37 o 74.607  4.1594  681.978    74.997   650.908    107.598  711.334    104.589  72.451  6.1797  75.875  5.7231  -3.424042      8.422768 
1 1 1 -7  13  38 o 25.256  8.1074  77.984     56.318   70.280     64.529   102.610    115.367  24.912  8.6882  31.172  11.523  -6.259943      14.43138 
1 1 1 -7  13  39 o 89.064  10.221  1019.35    216.885  0.0000     0.0000   1019.35    216.885  ?       ?       89.064  10.221  0.000000       10.22120 
1 1 1 -7  13  40 o 53.276  6.6157  356.926    83.680   0.0000     0.0000   356.926    83.680   ?       ?       53.276  6.6157  0.000000       6.615735 
1 1 1 -7  13  41 f 58.420  5.0211  422.824    70.483   380.449    102.677  460.586    96.926   54.521  7.9994  60.517  6.7140  -5.995777      10.44360 
1 1 1 -7  13  42 o 52.650  5.3980  345.685    67.985   345.422    98.866   345.922    93.637   51.770  8.1392  51.979  7.6534  -0.2090683     11.17228 
1 1 1 -7  13  43 o 69.688  5.8714  606.736    98.355   586.820    241.444  610.699    107.696  63.361  15.768  69.716  6.4394  -6.354733      17.03201 
1 1 1 -7  13  44 o 21.111  8.4516  31.734     65.687   175.035    200.547  14.513     69.522   38.773  14.993  20.205  8.4562  18.56802       17.21350 
1 1 1 -7  13  45 o 14.610  6.4385  -10.5913   44.448   32.655     66.193   -46.1035   59.982   21.216  8.4874  15.014  6.9514  6.202224       10.97079 
1 1 1 -7  13  46 o 47.688  5.3960  285.459    61.339   213.100    87.029   356.886    86.466   39.905  9.1793  52.872  6.9049  -12.96674      11.48641 
1 1 1 -7  13  47 o 41.636  5.7554  219.418    56.591   138.173    81.406   295.397    78.724   32.282  9.6490  48.015  6.9601  -15.73269      11.89730 
1 1 1 -7  13  48 o 18.149  7.0675  27.213     44.804   -35.1878   66.452   79.222     60.667   16.590  7.5444  25.338  8.4329  -8.748280      11.31513 
1 1 1 -7  13  49 o 30.032  7.5088  118.654    54.571   60.293     81.205   166.714    73.691   24.907  9.5650  35.357  8.6586  -10.45023      12.90198 
1 1 1 -7  13  50 o 45.644  6.6960  267.397    71.955   245.885    88.811   308.498    122.757  42.925  8.8218  47.235  10.928  -4.309364      14.04430 
1 1 1 -7  14  1  o 252.160 5.6320  7719.14    344.587  7865.31    486.152  7571.55    488.497  254.457 7.8740  249.652 8.0642  4.804825       11.27082 
1 1 1 -7  14  2  o 530.729 10.418  34250.27   1341.64  34375.46   1895.84  34124.67   1898.90  531.100 14.712  529.146 14.790  1.953613       20.86073 
1 1 1 -7  14  3  o 235.266 5.2957  6719.14    302.308  6438.25    426.021  7004.04    429.050  230.222 7.6264  240.135 7.3636  -9.913025      10.60114 
1 1 1 -7  14  4  o 94.954  3.6527  1094.19    84.157   1015.39    118.044  1175.64    120.012  91.299  5.3520  98.282  5.0496  -6.982918      7.358092 
1 1 1 -7  14  5  o 217.068 4.9972  5719.73    263.200  5535.77    371.487  5905.15    372.960  213.485 7.1715  220.499 6.9709  -7.014618      10.00125 
1 1 1 -7  14  6  o 433.128 8.6485  22800.61   908.909  23011.49   1284.56  22589.19   1286.22  434.742 12.178  430.718 12.307  4.023987       17.31354 
1 1 1 -7  14  7  o 428.911 8.6717  22361.74   902.477  22624.10   1275.53  22098.75   1277.06  431.014 12.196  425.959 12.356  5.054932       17.36165 
1 1 1 -7  14  8  o 162.334 4.3756  3198.81    172.351  3427.87    243.517  2968.89    243.967  168.007 5.9736  156.343 6.4311  11.66425       8.777433 
1 1 1 -7  14  9  o 415.294 8.5793  20971.79   864.512  21375.88   1221.85  20566.70   1223.36  418.816 12.023  410.774 12.274  8.042236       17.18184 
1 1 1 -7  14  10 o 101.280 3.7137  1245.08    91.264   1243.85    129.356  1246.29    128.779  101.066 5.2933  101.167 5.2643  -0.1009216     7.465417 
1 1 1 -7  14  11 o 117.636 3.8782  1679.93    110.697  1723.31    156.880  1636.91    156.220  119.109 5.4282  116.082 5.5464  3.027359       7.760648 
1 1 1 -7  14  12 o 155.377 4.2852  2931.57    161.554  2714.26    228.355  3149.32    228.589  149.428 6.2982  160.981 5.8522  -11.55237      8.597393 
1 1 1 -7  14  13 o 315.315 6.7238  12093.64   514.426  12092.13   727.827  12095.15   727.191  314.882 9.5261  314.923 9.5166  -0.4095459E-01 13.46523 
1 1 1 -7  14  14 o 220.534 5.1995  5910.99    278.230  5692.83    393.359  6129.42    393.594  216.218 7.4978  224.385 7.2292  -8.167130      10.41528 
1 1 1 -7  14  15 f 80.853  5.5046  798.520    107.348  736.021    133.401  913.345    180.817  77.415  7.1837  86.085  8.7795  -8.669701      11.34396 
1 1 1 -7  14  16 o 139.469 5.8278  2366.01    197.217  2228.23    257.656  2560.94    306.464  134.972 7.9019  144.601 8.7761  -9.628952      11.80932 
1 1 1 -7  14  17 o 249.438 7.9087  7584.41    478.666  7217.95    653.788  8007.79    702.730  242.781 11.098  255.670 11.328  -12.88901      15.85851 
1 1 1 -7  14  18 o 119.033 3.9659  1721.00    114.543  1733.74    162.259  1708.33    161.718  119.402 5.6006  118.523 5.6233  0.8792953      7.936500 
1 1 1 -7  14  19 o 229.686 5.3474  6414.15    298.016  6469.68    422.197  6359.01    420.724  230.432 7.5510  228.448 7.5901  1.984528       10.70642 
1 1 1 -7  14  20 o 249.790 5.6835  7588.48    344.473  7600.80    488.139  7576.25    486.185  249.683 8.0573  249.282 8.0380  0.4005127      11.38109 
1 1 1 -7  14  21 o 156.528 4.4205  2977.03    167.893  2937.93    235.827  3017.21    239.077  155.378 6.2552  157.460 6.2575  -2.082260      8.847846 
1 1 1 -7  14  22 o 294.081 6.4911  10528.20   463.180  10252.22   654.916  10804.38   655.154  289.677 9.3177  297.428 9.0781  -7.751312      13.00890 
1 1 1 -7  14  23 o 177.410 4.6968  3825.70    202.181  3632.23    283.785  4025.12    288.118  172.690 6.7726  181.815 6.5310  -9.124954      9.408610 
1 1 1 -7  14  24 o 132.443 6.2092  2135.67    199.539  2032.20    322.267  2200.00    254.107  128.369 10.437  134.055 7.8463  -5.686386      13.05725 
1 1 1 -7  14  25 o 79.265  6.5530  770.742    124.903  652.140    216.621  829.811    152.874  71.662  12.934  82.092  7.7672  -10.42982      15.08696 
1 1 1 -7  14  26 o 256.644 8.3483  8055.20    519.866  8426.12    776.271  7753.56    700.029  261.289 12.244  250.896 11.499  10.39268       16.79714 
1 1 1 -7  14  27 o 384.312 9.1509  18121.76   853.316  18007.45   1053.44  18339.89   1455.21  381.937 11.367  382.489 15.680  -0.5517273     19.36677 
1 1 1 -7  14  28 o 109.304 4.1338  1453.46    109.637  1428.26    155.163  1478.59    154.936  108.034 5.9421  109.944 5.8287  -1.910362      8.323559 
1 1 1 -7  14  29 o 78.417  4.1155  750.490    78.034   812.291    114.257  696.462    106.830  81.358  5.8265  75.292  5.8947  6.065842       8.288288 
1 1 1 -7  14  30 o 66.839  6.2616  551.411    100.366  551.411    100.366  0.0000     0.0000   66.839  6.2616  ?       ?       0.000000       6.261601 
1 1 1 -7  14  31 o 64.140  6.3322  509.042    97.261   509.042    97.261   0.0000     0.0000   64.140  6.3322  ?       ?       0.000000       6.332231 
1 1 1 -7  14  32 o 152.641 4.5229  2843.77    167.516  2953.43    240.199  2739.94    233.738  155.095 6.3828  149.366 6.4493  5.729340       9.073787 
1 1 1 -7  14  33 o 56.905  4.4041  397.691    60.337   391.144    87.491   403.629    83.321   56.020  6.5609  57.015  6.1185  -0.9950676     8.971134 
1 1 1 -7  14  34 o 80.126  4.2024  785.941    81.417   896.890    118.522  686.808    112.033  85.288  5.7611  74.468  6.2584  10.82002       8.506284 
1 1 1 -7  14  35 o 148.810 4.4834  2707.11    161.883  2745.85    232.448  2670.63    225.582  149.279 6.4175  147.257 6.3134  2.022415       9.002397 
1 1 1 -7  14  36 o 113.051 4.2539  1561.72    116.689  1627.67    168.074  1500.34    162.132  114.842 6.0530  110.236 6.0851  4.605621       8.582975 
1 1 1 -7  14  37 o 80.627  5.7280  803.448    111.330  863.426    135.368  678.091    195.703  83.305  6.7552  71.991  11.597  11.31343       13.42138 
1 1 1 -7  14  38 o 14.028  6.3555  -25.5171   46.613   -18.5289   52.124   -53.4207   104.157  15.471  6.8872  20.879  9.4758  -5.407906      11.71425 
1 1 1 -7  14  39 o 50.778  6.5736  324.503    79.091   0.0000     0.0000   324.503    79.091   ?       ?       50.778  6.5736  0.000000       6.573611 
1 1 1 -7  14  40 o 103.290 4.5402  1309.12    113.788  1381.97    159.762  1234.12    162.105  105.411 6.2747  99.395  6.7617  6.016342       9.224547 
1 1 1 -7  14  41 o 34.800  7.1858  156.710    58.667   242.546    89.091   90.993     77.954   42.996  8.8351  27.652  9.5547  15.34411       13.01349 
1 1 1 -7  14  42 o 43.424  6.1241  238.713    62.735   347.395    94.322   152.492    84.012   51.997  7.7097  33.924  9.7121  18.07214       12.40011 
1 1 1 -7  14  43 o 23.032  8.3147  58.441     59.540   -154.2877  199.371  79.271     62.387   26.237  12.320  25.473  8.5525  0.7633476      14.99757 
1 1 1 -7  14  44 o 67.282  6.9337  574.762    111.573  345.027    256.999  628.117    123.854  48.416  17.298  70.160  7.3863  -21.74483      18.80869 
1 1 1 -7  14  45 o 59.930  4.9049  446.770    70.699   570.193    101.394  329.984    98.630   67.251  6.2866  50.212  8.3915  17.03861       10.48519 
1 1 1 -7  14  46 o 32.144  7.0071  134.837    53.109   106.842    76.662   160.672    73.644   28.946  9.4723  34.709  8.7475  -5.763460      12.89354 
1 1 1 -7  14  47 o 19.979  7.3451  41.566     46.768   -9.4168    68.224   86.764     64.236   18.362  8.0375  26.342  8.6732  -7.979809      11.82481 
1 1 1 -7  14  48 o 7.3821  3.7312  -110.1236  32.547   -103.8902  54.494   -113.5803  40.580   11.633  5.7006  8.8492  4.4329  2.783320       7.221272 
1 1 1 -7  14  49 o 39.832  7.0707  205.947    65.835   256.401    79.866   98.979     116.291  44.308  7.7087  30.106  11.474  14.20254       13.82277 
1 1 1 -7  15  1  o 414.108 8.4450  20837.42   848.552  21074.15   1198.69  20599.63   1201.38  416.134 11.872  411.405 12.035  4.729340       16.90493 
1 1 1 -7  15  2  o 200.484 4.7375  4878.82    230.461  4974.44    324.804  4781.86    327.048  202.391 6.6140  198.429 6.7927  3.961685       9.480849 
1 1 1 -7  15  3  o 216.019 5.0444  5664.69    264.400  5780.17    372.457  5547.37    375.397  218.148 7.0365  213.703 7.2396  4.445236       10.09580 
1 1 1 -7  15  4  o 524.028 10.450  33403.84   1328.77  33038.61   1877.63  33770.27   1880.70  520.448 14.869  526.206 14.730  -5.757507      20.92947 
1 1 1 -7  15  5  o 611.257 12.074  45499.59   1790.73  45766.04   2531.19  45232.61   2533.76  611.909 17.048  608.301 17.167  3.608032       24.19348 
1 1 1 -7  15  6  o 327.983 6.8797  13067.84   547.499  12923.68   773.376  13212.67   775.188  325.953 9.7785  329.584 9.6934  -3.631653      13.76885 
1 1 1 -7  15  7  o 526.567 10.525  33751.12   1344.81  34122.60   1901.05  33379.01   1902.64  528.593 14.822  522.760 15.000  5.832764       21.08769 
1 1 1 -7  15  8  o 353.130 7.4388  15157.07   637.381  15284.74   900.630  15028.96   902.157  354.289 10.477  351.299 10.584  2.990265       14.89220 
1 1 1 -7  15  9  o 133.520 3.9026  2164.12    126.433  2011.47    178.099  2319.22    179.516  128.681 5.7040  138.185 5.3540  -9.504288      7.823109 
1 1 1 -7  15  10 o 344.244 7.3103  14411.80   610.609  14620.18   862.712  14202.62   864.352  346.316 10.267  341.308 10.437  5.008606       14.64027 
1 1 1 -7  15  11 o 101.405 3.7779  1248.48    92.955   1181.81    131.755  1314.55    131.163  98.462  5.5373  104.019 5.1968  -5.556206      7.594006 
1 1 1 -7  15  12 o 122.161 3.9120  1812.20    115.955  1926.63    163.670  1696.88    164.303  125.907 5.3574  118.147 5.7314  7.760185       7.845387 
1 1 1 -7  15  13 o 284.307 8.7591  9858.29    604.244  9737.47    832.587  9992.73    878.303  281.869 12.174  285.417 12.682  -3.547272      17.57950 
1 1 1 -7  15  14 o 179.031 6.3569  3900.39    276.146  3423.98    368.688  4509.18    416.779  167.229 9.1207  192.212 8.9364  -24.98322      12.76890 
1 1 1 -7  15  15 o 180.826 6.6493  3980.64    291.744  4280.50    390.191  3600.47    439.345  187.298 8.5858  171.196 10.629  16.10211       13.66364 
1 1 1 -7  15  16 o 36.207  8.5194  166.351    73.597   166.351    73.597   0.0000     0.0000   36.207  8.5194  ?       ?       0.000000       8.519356 
1 1 1 -7  15  17 o 320.479 6.8815  12505.63   535.117  12591.88   757.062  12419.51   756.477  321.006 9.7197  318.787 9.7798  2.218842       13.78832 
1 1 1 -7  15  18 o 123.736 3.9617  1859.72    118.945  1846.43    168.456  1872.93    167.972  123.217 5.6344  124.102 5.5782  -0.8840866     7.928657 
1 1 1 -7  15  19 o 100.216 3.8351  1219.85    93.256   1123.51    133.125  1312.68    130.676  95.939  5.7452  103.910 5.1829  -7.971825      7.737545 
1 1 1 -7  15  20 o 37.582  5.3828  175.224    47.683   223.020    69.384   132.448    65.640   42.236  7.0166  32.344  8.3172  9.891384       10.88158 
1 1 1 -7  15  21 o 74.105  4.3531  669.577    77.929   655.472    105.062  686.829    116.194  73.155  5.9710  74.837  6.4623  -1.681885      8.798528 
1 1 1 -7  15  22 o 107.675 4.2020  1408.73    109.783  1336.35    149.897  1492.47    161.236  104.626 5.9289  110.576 6.0323  -5.949715      8.458172 
1 1 1 -7  15  23 o 135.553 6.0383  2236.82    198.604  2967.24    317.129  1765.51    254.745  155.650 8.4284  119.880 8.8197  35.76955       12.19938 
1 1 1 -7  15  24 o 322.875 9.9364  12775.88   778.444  12805.42   1138.61  12749.96   1066.68  321.379 14.601  321.099 13.691  0.2800598      20.01595 
1 1 1 -7  15  25 o 285.859 9.1724  10010.70   636.207  9674.83    938.523  10296.25   865.387  279.298 13.849  288.773 12.351  -9.475159      18.55607 
1 1 1 -7  15  26 o 173.614 5.3350  3670.91    224.740  3603.31    281.166  3790.53    373.998  171.810 6.7445  175.846 8.7654  -4.035950      11.05988 
1 1 1 -7  15  27 o 191.792 5.0127  4480.71    233.271  4342.43    330.090  4618.67    329.702  188.401 7.2208  194.352 6.9915  -5.950592      10.05090 
1 1 1 -7  15  28 o 182.847 4.7804  4073.81    212.087  4111.25    300.541  4036.67    299.336  183.288 6.7578  181.610 6.7929  1.678329       9.581819 
1 1 1 -7  15  29 o 142.658 6.1611  2490.03    213.266  2490.03    213.266  0.0000     0.0000   142.658 6.1611  ?       ?       0.000000       6.161147 
1 1 1 -7  15  30 o 74.007  5.9074  674.645    105.196  674.645    105.196  0.0000     0.0000   74.007  5.9074  ?       ?       0.000000       5.907387 
1 1 1 -7  15  31 o 51.578  4.4714  327.041    55.405   386.107    79.335   270.807    77.409   55.817  5.9495  46.392  7.1029  9.424984       9.265429 
1 1 1 -7  15  32 o 72.374  4.1222  641.081    72.091   606.532    103.788  673.289    100.210  70.006  6.1733  73.903  5.6307  -3.896439      8.355515 
1 1 1 -7  15  33 o 85.847  4.0802  899.460    84.990   902.895    121.291  896.146    119.127  85.543  5.8793  85.242  5.7940  0.3012772      8.254476 
1 1 1 -7  15  34 o 47.393  4.7414  277.512    53.791   283.136    77.850   272.372    74.411   47.391  6.9791  46.510  6.7941  0.8811684      9.739979 
1 1 1 -7  15  35 o 91.053  4.0957  1012.59    90.487   1021.77    128.830  1003.66    127.124  90.964  5.8682  90.158  5.8425  0.8059158      8.280763 
1 1 1 -7  15  36 o 35.056  7.7968  158.658    64.605   152.979    74.969   175.044    127.347  34.303  8.9226  37.246  12.209  -2.942154      15.12230 
1 1 1 -7  15  37 o 116.442 5.8943  1675.10    165.993  1682.02    206.875  1662.61    278.131  116.094 7.3824  114.022 10.159  2.071472       12.55843 
1 1 1 -7  15  38 o 50.375  12.491  343.823    151.926  0.0000     0.0000   343.823    151.926  ?       ?       50.375  12.491  0.000000       12.49114 
1 1 1 -7  15  39 o 83.988  4.8947  869.923    99.317   907.963    149.470  839.852    132.896  84.976  7.3207  81.923  6.7456  3.052803       9.954666 
1 1 1 -7  15  40 o 40.425  6.4299  207.847    60.957   287.302    92.285   146.350    81.189   47.044  8.3926  33.360  9.5466  13.68408       12.71111 
1 1 1 -7  15  41 o 51.495  5.5281  331.760    67.991   294.421    98.559   365.665    93.916   47.361  8.9033  53.470  7.4404  -6.109024      11.60297 
1 1 1 -7  15  42 f 50.786  7.5697  332.023    90.430   519.277    216.476  292.439    99.530   59.695  14.972  47.046  9.0476  12.64840       17.49332 
1 1 1 -7  15  43 o 90.138  6.7032  1024.98    145.560  651.941    291.223  1149.20    168.058  64.360  17.964  95.116  7.3385  -30.75603      19.40506 
1 1 1 -7  15  44 o 36.731  6.4631  173.615    55.499   154.343    85.615   187.582    72.887   33.917  9.8318  37.663  8.2077  -3.745365      12.80749 
1 1 1 -7  15  45 o 33.297  6.8041  144.128    53.115   169.852    78.685   122.593    71.994   35.592  9.0815  30.482  9.0656  5.109510       12.83195 
1 1 1 -7  15  46 o 33.012  7.0689  142.236    54.914   142.230    78.828   142.242    76.542   32.660  9.4245  32.658  9.2429  0.1319885E-02  13.20049 
1 1 1 -7  15  47 o 57.146  5.0424  407.256    69.200   396.525    97.413   418.188    98.320   55.526  7.4155  57.110  7.2592  -1.583473      10.37723 
1 1 1 -7  15  48 o 13.475  6.3091  -48.2681   51.640   -49.3934   61.460   -45.5660   95.236   15.043  6.9898  19.811  9.0178  -4.767697      11.40956 
1 1 1 -7  15  49 o 19.925  7.8942  31.379     56.735   -11.6580   67.045   139.926    106.477  17.962  7.9123  32.658  11.172  -14.69632      13.69013 
1 1 1 -7  16  1  o 436.479 8.6986  23155.66   921.243  22997.15   1301.49  23314.82   1304.19  434.579 12.343  437.578 12.283  -2.998871      17.41330 
1 1 1 -7  16  2  o 184.905 4.6541  4150.17    208.807  4101.46    294.061  4199.71    296.551  183.766 6.5949  185.954 6.5725  -2.188599      9.310752 
1 1 1 -7  16  3  o 323.958 6.8839  12748.31   541.115  13021.51   763.706  12472.89   766.807  327.216 9.6189  320.229 9.8687  6.987732       13.78100 
1 1 1 -7  16  4  o 162.679 4.3397  3212.35    171.297  3195.93    241.143  3229.08    243.373  162.220 6.1264  163.058 6.1513  -0.8384247     8.681656 
1 1 1 -7  16  5  o 213.247 5.0210  5521.12    259.796  5426.52    366.346  5616.83    368.478  211.329 7.1444  215.007 7.0631  -3.677567      10.04639 
1 1 1 -7  16  6  o 502.464 9.9018  30729.15   1207.21  30880.26   1706.17  30577.65   1708.33  502.890 13.983  500.399 14.070  2.490265       19.83619 
1 1 1 -7  16  7  o 395.830 8.2623  19057.14   793.549  19544.48   1121.47  18568.45   1123.03  400.374 11.544  390.195 11.862  10.17908       16.55184 
1 1 1 -7  16  8  o 133.053 3.9093  2149.16    126.207  2058.65    178.136  2240.38    178.835  130.175 5.6397  135.806 5.4271  -5.631149      7.826892 
1 1 1 -7  16  9  o 225.785 5.1786  6192.99    283.709  5923.40    400.618  6464.23    401.836  220.656 7.4826  230.535 7.1837  -9.878296      10.37276 
1 1 1 -7  16  10 o 441.208 9.0044  23726.21   963.968  23526.24   1362.21  23926.79   1364.31  438.311 12.808  442.055 12.720  -3.743927      18.05113 
1 1 1 -7  16  11 o 173.289 4.4597  3647.86    187.517  3742.75    264.681  3552.24    265.701  175.421 6.2184  170.885 6.4080  4.536133       8.929209 
1 1 1 -7  16  12 o 267.978 8.3491  8756.27    542.877  8510.13    745.203  9034.62    792.462  263.558 11.653  271.472 12.031  -7.913208      16.74894 
1 1 1 -7  16  13 o 105.046 5.4001  1345.30    137.174  1402.56    177.113  1259.45    216.852  107.109 6.8508  101.190 8.9235  5.919884       11.24993 
1 1 1 -7  16  14 o 181.181 6.6494  3996.57    292.319  4349.06    393.304  3561.54    436.931  188.781 8.5863  170.250 10.630  18.53145       13.66473 
1 1 1 -7  16  15 o 133.795 5.8013  2177.50    188.335  2237.18    244.775  2090.89    294.853  135.293 7.4855  130.501 9.3742  4.792480       11.99611 
1 1 1 -7  16  16 o 68.008  3.9614  563.713    65.086   588.111    92.320   539.602    91.775   69.322  5.5347  66.358  5.7569  2.964386       7.985929 
1 1 1 -7  16  17 o 238.001 5.5385  6888.60    319.842  6819.60    452.069  6957.76    452.580  236.517 7.8773  238.911 7.8072  -2.394043      11.09076 
1 1 1 -7  16  18 o 345.281 7.3225  14525.20   613.476  14537.33   868.175  14513.09   866.998  344.689 10.380  344.403 10.375  0.2859497      14.67629 
1 1 1 -7  16  19 o 115.852 4.0283  1630.47    113.238  1701.35    162.267  1563.18    158.099  118.267 5.6546  113.211 5.7746  5.056412       8.082098 
1 1 1 -7  16  20 o 197.169 5.0066  4726.38    239.522  4714.92    340.215  4737.63    337.275  196.717 7.1277  197.199 7.0488  -0.4824371     10.02444 
1 1 1 -7  16  21 f 64.173  4.4020  502.820    68.129   551.258    94.521   450.444    98.289   67.051  5.8689  60.429  6.8229  6.622528       8.999745 
1 1 1 -7  16  22 o 225.515 7.6964  6204.84    421.142  6203.27    630.229  6206.11    566.089  224.395 11.615  225.024 10.368  -0.6291046     15.56909 
1 1 1 -7  16  23 o 132.255 6.1730  2130.53    198.096  2233.30    316.440  2064.30    254.030  134.667 9.7502  129.749 8.1096  4.918442       12.68196 
1 1 1 -7  16  24 o 217.376 7.5013  5770.69    395.651  6077.12    598.202  5532.40    527.511  222.206 11.095  212.238 10.243  9.968323       15.10054 
1 1 1 -7  16  25 o 164.002 5.1702  3275.05    205.740  3111.94    257.603  3562.38    341.896  159.676 6.6489  170.563 8.2612  -10.88739      10.60449 
1 1 1 -7  16  26 o 69.659  4.3192  592.724    72.643   578.583    100.661  608.091    104.939  68.584  6.1130  70.308  6.2153  -1.724342      8.717716 
1 1 1 -7  16  27 o 71.779  4.1177  629.142    71.416   701.128    101.250  557.869    100.747  75.596  5.5589  67.278  6.2428  8.318619       8.359033 
1 1 1 -7  16  28 o 77.326  5.9397  735.370    110.592  735.370    110.592  0.0000     0.0000   77.326  5.9397  ?       ?       0.000000       5.939674 
1 1 1 -7  16  29 o 90.704  5.8326  1011.01    127.686  1011.01    127.686  0.0000     0.0000   90.704  5.8326  ?       ?       0.000000       5.832614 
1 1 1 -7  16  30 o 118.968 4.1647  1725.93    120.222  1687.01    171.416  1763.61    168.656  117.135 6.0518  119.973 5.7937  -2.837509      8.378032 
1 1 1 -7  16  31 o 114.853 4.1364  1609.45    115.274  1591.15    164.451  1627.13    161.628  113.697 5.9821  115.025 5.8099  -1.328423      8.339113 
1 1 1 -7  16  32 o 23.350  6.8792  68.403     41.612   193.723    61.160   -39.6124   56.780   39.122  6.6829  14.991  6.8762  24.13148       9.588705 
1 1 1 -7  16  33 o 18.397  6.5759  35.787     37.146   19.576     53.268   51.132     51.827   18.716  7.5690  21.799  7.7700  -3.083031      10.84725 
1 1 1 -7  16  34 o 117.528 4.2071  1687.81    119.974  1699.81    171.072  1676.20    168.298  117.357 6.0280  116.556 5.9709  0.8012390      8.484613 
1 1 1 -7  16  35 o 73.338  5.7265  665.507    101.093  689.593    120.975  609.756    184.055  74.375  6.7779  68.195  11.535  6.180191       13.37858 
1 1 1 -7  16  36 o 67.910  5.9165  572.576    96.517   637.930    115.292  419.478    176.459  71.479  6.7266  55.587  13.267  15.89201       14.87496 
1 1 1 -7  16  37 o 88.547  10.473  1014.70    220.659  0.0000     0.0000   1014.70    220.659  ?       ?       88.547  10.473  0.000000       10.47317 
1 1 1 -7  16  38 o 59.345  6.9316  444.021    97.932   0.0000     0.0000   444.021    97.932   ?       ?       59.345  6.9316  0.000000       6.931623 
1 1 1 -7  16  39 o 78.228  4.6256  754.611    87.409   787.175    123.482  721.905    123.749  79.302  6.4738  75.801  6.8006  3.501099       9.389238 
1 1 1 -7  16  40 o 60.569  5.0985  455.801    74.232   530.737    107.521  387.551    102.612  64.772  6.9499  54.887  7.9353  9.885292       10.54846 
1 1 1 -7  16  41 o 30.642  9.0317  123.248    71.714   -30.8781   204.253  144.919    76.590   30.265  13.541  33.035  9.2095  -2.769665      16.37619 
1 1 1 -7  16  42 o 103.334 6.6552  1345.13    165.979  1318.06    317.568  1355.30    194.687  96.611  13.951  102.990 7.8498  -6.379379      16.00806 
1 1 1 -7  16  43 o 47.154  5.8939  281.260    65.962   308.841    96.506   257.078    90.366   48.452  8.5198  44.015  8.7692  4.436810       12.22643 
1 1 1 -7  16  44 o 26.834  7.5174  94.127     50.900   72.891     79.963   108.593    65.999   25.863  9.5869  28.811  8.7054  -2.947536      12.94957 
1 1 1 -7  16  45 o 7.9343  3.9908  -105.5876  34.674   -127.3738  58.066   -93.5128   43.228   11.475  5.6732  9.9839  4.9283  1.491216       7.514863 
1 1 1 -7  16  46 o 16.159  6.8061  6.1642     45.497   5.9743     67.329   6.3239     61.721   19.253  8.2017  18.538  7.8739  0.7147312      11.36948 
1 1 1 -7  16  47 o 64.282  5.3001  516.609    81.932   465.636    106.148  591.734    128.866  60.156  7.4302  67.610  8.0111  -7.454514      10.92633 
1 1 1 -7  16  48 o 21.177  8.0529  43.830     57.205   9.6311     68.033   126.358    105.685  19.523  8.2781  31.530  11.111  -12.00675      13.85556 
1 1 1 -7  17  1  o 138.285 3.9981  2321.00    134.151  2222.21    188.444  2422.52    191.019  135.278 5.7410  141.247 5.5735  -5.969360      8.001491 
1 1 1 -7  17  2  o 184.132 4.6750  4115.91    208.869  4166.07    294.176  4064.92    296.611  185.194 6.5466  182.927 6.6826  2.266907       9.354972 
1 1 1 -7  17  3  o 369.455 7.6566  16589.90   686.372  16544.77   969.047  16635.33   972.313  368.617 10.834  369.624 10.841  -1.006653      15.32705 
1 1 1 -7  17  4  o 258.388 5.7264  8108.77    359.021  7935.72    506.236  8283.88    509.243  255.470 8.1667  261.023 8.0405  -5.552979      11.46058 
1 1 1 -7  17  5  o 495.468 9.8589  29890.65   1185.25  29718.07   1674.72  30063.84   1677.67  493.133 13.996  496.007 13.940  -2.874939      19.75383 
1 1 1 -7  17  6  o 219.889 5.1990  5872.66    277.387  5831.23    391.186  5914.56    393.393  218.986 7.3621  220.546 7.3513  -1.559784      10.40396 
1 1 1 -7  17  7  o 164.680 4.3663  3293.16    174.471  3396.03    246.100  3189.21    247.383  167.162 6.0675  161.981 6.2942  5.180862       8.742545 
1 1 1 -7  17  8  o 192.653 4.7945  4508.49    224.119  4490.30    316.509  4526.78    317.398  192.143 6.7889  192.923 6.7804  -0.7795563     9.594944 
1 1 1 -7  17  9  o 205.160 4.9861  5114.33    248.211  5061.21    350.390  5167.83    351.661  203.932 7.0811  206.073 7.0330  -2.141068      9.980227 
1 1 1 -7  17  10 o 33.086  7.6442  138.685    60.134   128.933    73.276   158.798    105.234  32.082  9.0309  36.001  11.017  -3.919228      14.24562 
1 1 1 -7  17  11 o 155.300 6.0027  2934.04    226.196  2793.14    300.600  3117.97    343.444  151.123 8.2287  159.588 8.9049  -8.465027      12.12471 
1 1 1 -7  17  12 o 100.518 5.3289  1232.03    129.507  1095.11    166.705  1440.45    205.674  94.525  7.3256  108.413 7.8724  -13.88808      10.75357 
1 1 1 -7  17  13 o 153.246 6.0041  2857.45    223.257  2782.27    296.258  2956.27    339.634  150.818 8.1256  155.327 9.0508  -4.508453      12.16316 
1 1 1 -7  17  14 f 289.888 8.9464  10260.32   629.278  10221.13   866.166  10304.14   915.771  288.499 12.373  289.476 13.038  -0.9764099     17.97479 
1 1 1 -7  17  15 o 167.801 4.4902  3421.51    182.821  3396.35    257.598  3447.06    259.509  167.048 6.3553  168.291 6.3552  -1.242462      8.987652 
1 1 1 -7  17  16 o 251.298 5.7223  7681.52    348.922  7566.82    493.026  7796.61    493.874  249.080 8.1577  252.852 8.0498  -3.771393      11.46070 
1 1 1 -7  17  17 o 269.009 6.0115  8805.22    392.384  8718.74    554.828  8891.75    555.002  267.285 8.5550  269.939 8.4735  -2.653961      12.04113 
1 1 1 -7  17  18 o 161.175 4.5397  3157.00    177.537  3092.69    251.264  3221.12    250.888  159.382 6.4972  162.670 6.3563  -3.287949      9.089386 
1 1 1 -7  17  19 o 117.325 4.1278  1672.45    117.508  1637.17    166.779  1707.22    165.591  115.838 5.9538  118.456 5.7612  -2.618393      8.284938 
1 1 1 -7  17  20 o 100.675 4.0688  1231.48    99.391   1158.86    141.150  1302.91    139.977  97.392  6.0022  103.333 5.6038  -5.940598      8.211546 
1 1 1 -7  17  21 o 192.967 6.9859  4539.01    327.090  4900.43    501.671  4271.76    431.394  199.668 10.391  186.577 9.5612  13.09167       14.12040 
1 1 1 -7  17  22 o 129.423 6.1710  2040.44    193.791  2046.88    316.868  2036.59    244.939  128.782 10.225  128.903 7.8690  -0.1208344     12.90208 
1 1 1 -7  17  23 f 47.694  8.0986  285.701    90.369   73.923     179.042  358.097    104.682  34.706  13.932  53.487  8.3379  -18.78069      16.23678 
1 1 1 -7  17  24 o 200.717 5.6621  4909.48    275.758  4994.10    344.906  4759.52    459.105  202.197 7.0301  196.807 9.6141  5.389755       11.91021 
1 1 1 -7  17  25 o 144.457 4.4250  2539.83    155.101  2545.41    217.489  2534.06    221.253  144.391 6.2077  144.051 6.3301  0.3402100      8.865986 
1 1 1 -7  17  26 o 80.480  4.1978  790.600    81.688   844.885    113.392  732.029    117.784  83.003  5.6640  77.121  6.3507  5.882263       8.509559 
1 1 1 -7  17  27 o 29.360  8.4590  108.664    63.549   108.664    63.549   0.0000     0.0000   29.360  8.4590  ?       ?       0.000000       8.458995 
1 1 1 -7  17  28 o 42.113  7.4957  224.610    73.787   224.610    73.787   0.0000     0.0000   42.113  7.4957  ?       ?       0.000000       7.495704 
1 1 1 -7  17  29 o 60.709  6.3318  457.218    91.898   457.218    91.898   0.0000     0.0000   60.709  6.3318  ?       ?       0.000000       6.331839 
1 1 1 -7  17  30 o 83.072  4.1451  842.037    83.550   838.161    118.170  845.912    118.146  82.425  5.9486  82.813  5.9187  -0.3888321     8.391487 
1 1 1 -7  17  31 o 51.181  4.6505  322.893    57.122   314.577    81.849   330.789    79.757   50.033  6.9279  51.421  6.5403  -1.388180      9.527447 
1 1 1 -7  17  32 o 48.141  4.7625  286.367    54.901   361.133    79.586   218.484    75.834   53.812  6.2092  41.296  7.8552  12.51596       10.01289 
1 1 1 -7  17  33 o 96.444  4.1529  1136.48    97.183   1141.26    138.252  1131.81    136.636  96.113  5.9576  95.726  5.9116  0.3871536      8.392838 
1 1 1 -7  17  34 o 24.868  8.2031  74.243     57.452   100.345    65.676   -10.8440   118.577  28.257  8.7129  24.497  10.663  3.760647       13.76981 
1 1 1 -7  17  35 o 104.485 5.7988  1349.03    146.436  1325.95    180.218  1393.89    251.223  103.059 7.2531  104.365 10.045  -1.305611      12.38968 
1 1 1 -7  17  36 o 105.135 10.357  1424.46    260.773  0.0000     0.0000   1424.46    260.773  ?       ?       105.135 10.357  0.000000       10.35680 
1 1 1 -7  17  37 o 96.282  6.1196  1152.32    142.224  0.0000     0.0000   1152.32    142.224  ?       ?       96.282  6.1196  0.000000       6.119599 
1 1 1 -7  17  38 o 54.612  5.2081  370.989    68.177   396.668    97.788   346.702    95.101   55.818  7.4029  52.000  7.7761  3.817875       10.73643 
1 1 1 -7  17  39 o 34.839  6.5561  156.041    53.387   25.778     80.764   257.130    71.148   22.356  9.2138  44.910  6.7369  -22.55386      11.41407 
1 1 1 -7  17  40 o 48.060  8.1446  300.630    91.585   586.080    224.380  243.567    100.323  63.590  14.817  42.541  9.9042  21.04804       17.82237 
1 1 1 -7  17  41 o 66.654  6.9563  564.805    110.846  348.604    251.992  616.675    123.429  48.453  17.148  69.455  7.4398  -21.00179      18.69215 
1 1 1 -7  17  42 o 24.669  7.9994  76.323     54.723   84.468     82.086   69.808     73.417   27.021  9.7616  25.118  9.2076  1.902292       13.41893 
1 1 1 -7  17  43 o 17.697  7.1390  19.905     47.259   -27.0807   77.987   47.173     59.410   18.595  8.3400  21.786  8.2254  -3.191765      11.71377 
1 1 1 -7  17  44 o 33.874  7.4033  150.665    59.150   165.910    88.589   138.402    79.455   35.026  9.9544  32.207  9.5106  2.819141       13.76738 
1 1 1 -7  17  45 o 20.572  7.7470  41.783     52.621   50.776     86.466   36.493     66.315   24.572  9.7422  21.505  8.5301  3.067034       12.94885 
1 1 1 -7  17  46 o 20.557  7.3492  47.123     46.398   39.542     70.192   53.005     61.832   22.134  8.7770  22.564  8.4171  -0.4303703     12.16070 
1 1 1 -7  17  47 f 38.028  7.5546  190.350    67.250   189.220    82.318   192.619    116.613  37.370  9.1514  37.244  11.631  0.1251831      14.79964 
1 1 1 -7  18  1  o 97.833  3.6590  1161.70    86.859   1192.90    121.915  1129.54    123.780  98.987  5.0932  96.299  5.3180  2.687401       7.363556 
1 1 1 -7  18  2  o 34.066  5.0078  143.933    40.159   135.628    57.093   152.065    56.498   32.759  7.3621  34.761  6.9415  -2.002449      10.11856 
1 1 1 -7  18  3  o 444.277 9.0323  24021.78   973.679  23905.52   1375.29  24138.62   1378.70  442.501 12.809  444.660 12.778  -2.158875      18.09307 
1 1 1 -7  18  4  o 385.868 7.8938  18112.21   739.079  18347.94   1043.52  17874.93   1046.92  387.868 11.088  382.802 11.271  5.065735       15.81096 
1 1 1 -7  18  5  o 291.763 6.2495  10346.80   442.425  10330.42   624.360  10363.31   627.016  291.261 8.8346  291.722 8.8582  -0.4602966     12.51074 
1 1 1 -7  18  6  o 87.253  3.6710  924.286    77.720   974.545    109.179  872.652    110.661  89.422  5.0525  84.571  5.4213  4.850945       7.410697 
1 1 1 -7  18  7  o 318.707 6.8739  12358.35   531.569  12467.56   750.706  12248.53   752.802  319.663 9.6786  316.822 9.7927  2.841583       13.76853 
1 1 1 -7  18  8  o 208.731 5.8393  5298.00    295.743  5257.18    356.910  5387.44    528.289  207.813 7.0782  209.965 10.370  -2.152115      12.55500 
1 1 1 -7  18  9  o 174.682 6.3529  3713.06    269.266  3552.94    360.924  3914.03    404.366  170.423 8.7578  178.795 9.3533  -8.371536      12.81342 
1 1 1 -7  18  10 o 163.879 6.1580  3268.08    244.866  3126.48    326.850  3449.22    369.676  159.856 8.4567  167.816 9.1129  -7.959442      12.43227 
1 1 1 -7  18  11 o 312.517 9.5405  11938.12   723.451  12106.11   999.083  11752.94   1048.97  313.664 13.127  308.757 14.002  4.907440       19.19302 
1 1 1 -7  18  12 o 263.030 8.3188  8441.30    530.925  8415.08    727.130  8471.25    777.034  261.962 11.440  262.645 12.193  -0.6827698     16.71915 
1 1 1 -7  18  13 o 28.260  6.0949  100.923    40.564   92.190     58.133   109.211    56.628   27.338  8.1499  29.414  7.8052  -2.075645      11.28464 
1 1 1 -7  18  14 o 93.466  3.7941  1061.07    86.046   1094.54    121.784  1027.71    121.590  94.726  5.3201  91.763  5.4860  2.962852       7.641970 
1 1 1 -7  18  15 o 335.160 7.0785  13684.03   575.652  13539.59   813.784  13828.69   814.408  332.689 10.081  336.250 9.9820  -3.560181      14.18687 
1 1 1 -7  18  16 o 147.669 4.3333  2649.68    155.264  2540.64    218.661  2760.56    220.504  144.478 6.2374  150.617 6.0336  -6.138901      8.678112 
1 1 1 -7  18  17 o 145.047 4.3827  2556.60    154.246  2408.49    218.467  2703.82    217.809  140.652 6.4014  149.056 6.0223  -8.403992      8.788951 
1 1 1 -7  18  18 o 119.694 4.1236  1740.74    119.762  1803.60    168.844  1677.10    169.898  121.752 5.7154  117.236 5.9926  4.516068       8.281165 
1 1 1 -7  18  19 o 85.099  4.0302  879.918    83.218   839.665    117.713  920.137    117.663  82.851  5.8939  86.780  5.6181  -3.929176      8.142549 
1 1 1 -7  18  20 o 145.845 6.2097  2590.53    219.747  3047.95    351.673  2297.53    281.462  157.566 9.2388  136.859 8.5181  20.70753       12.56634 
1 1 1 -7  18  21 o 186.660 6.7502  4248.21    305.728  5189.85    471.815  3566.66    401.398  205.822 9.4475  170.303 9.7544  35.51985       13.57952 
1 1 1 -7  18  22 o 123.452 6.1468  1857.57    184.124  1892.27    303.464  1837.36    231.631  123.694 10.202  122.355 7.8434  1.338554       12.86862 
1 1 1 -7  18  23 o 243.794 5.6629  7243.68    334.988  7287.83    473.695  7199.51    473.793  243.983 8.0016  242.486 8.0526  1.496902       11.35210 
1 1 1 -7  18  24 o 15.936  6.7622  0.9683     45.451   -4.4407    58.597   9.1377     72.013   17.647  7.5878  20.549  8.6038  -2.901688      11.47171 
1 1 1 -7  18  25 o 88.353  4.2138  950.376    90.335   981.153    124.807  916.511    130.919  89.451  5.7812  86.355  6.2914  3.096100       8.544254 
1 1 1 -7  18  26 o 125.880 4.2017  1930.25    128.335  2117.83    182.324  1746.05    180.674  131.629 5.7086  119.268 6.2652  12.36125       8.475861 
1 1 1 -7  18  27 o 145.224 6.2929  2585.70    221.746  2585.70    221.746  0.0000     0.0000   145.224 6.2929  ?       ?       0.000000       6.292931 
1 1 1 -7  18  28 o 97.118  5.9363  1160.69    139.215  1160.69    139.215  0.0000     0.0000   97.118  5.9363  ?       ?       0.000000       5.936289 
1 1 1 -7  18  29 o 134.482 4.3643  2208.33    142.411  2209.60    201.701  2207.07    201.100  134.083 6.1997  134.010 6.1846  0.7266235E-01  8.757041 
1 1 1 -7  18  30 o 29.926  6.4136  114.404    45.170   131.109    65.593   99.337     62.294   31.883  8.3718  28.086  8.4511  3.797297       11.89570 
1 1 1 -7  18  31 o 67.901  4.2598  565.565    69.826   572.888    100.457  558.721    97.125   67.938  6.1610  67.119  6.0281  0.8197098      8.619504 
1 1 1 -7  18  32 o 38.411  5.4803  184.747    49.628   200.171    71.461   170.377    68.974   39.487  7.7352  36.309  8.0411  3.177860       11.15762 
1 1 1 -7  18  33 o 39.616  5.6173  196.710    52.484   277.682    79.789   134.956    69.680   46.790  7.2635  32.269  8.7008  14.52108       11.33412 
1 1 1 -7  18  34 o 51.882  6.4914  337.855    79.930   360.226    93.573   277.475    153.725  53.333  7.4330  45.388  13.179  7.944450       15.13097 
1 1 1 -7  18  35 o 70.105  11.468  648.941    188.324  0.0000     0.0000   648.941    188.324  ?       ?       70.105  11.468  0.000000       11.46783 
1 1 1 -7  18  36 o 66.931  6.2605  559.858    100.491  0.0000     0.0000   559.858    100.491  ?       ?       66.931  6.2605  0.000000       6.260526 
1 1 1 -7  18  37 o 19.807  7.2969  39.874     46.191   87.653     74.131   9.5511     59.057   27.105  9.3202  18.539  7.7785  8.565645       12.13963 
1 1 1 -7  18  38 o 48.357  5.5737  293.197    64.201   282.451    93.408   302.818    88.387   46.463  8.6021  48.448  7.7823  -1.984627      11.59999 
1 1 1 -7  18  39 o 35.975  8.8568  172.213    76.793   372.872    219.402  144.199    81.979   50.269  15.988  32.961  9.6398  17.30807       18.66924 
1 1 1 -7  18  40 o 52.147  7.6816  351.588    94.285   100.309    233.933  400.322    103.023  36.519  15.410  55.633  7.8502  -19.11326      17.29436 
1 1 1 -7  18  41 o 65.782  5.3527  540.841    84.696   478.140    116.132  612.085    123.791  60.697  8.0866  69.072  7.5071  -8.374771      11.03403 
1 1 1 -7  18  42 o 82.407  4.8987  843.532    97.509   912.501    137.483  773.722    138.318  84.863  6.7320  77.747  7.4224  7.115990       10.02058 
1 1 1 -7  18  43 o 21.342  7.7294  49.915     51.512   137.360    82.412   -6.1555    65.992   32.095  9.7346  18.224  7.9429  13.87115       12.56388 
1 1 1 -7  18  44 o 32.354  7.7702  138.449    60.233   188.200    89.112   96.600     81.731   37.235  9.7487  28.086  9.7789  9.149452       13.80810 
1 1 1 -7  18  45 o 20.016  7.1987  44.077     44.581   -113.4215  74.315   132.620    55.720   14.366  6.9523  31.724  7.3781  -17.35775      10.13754 
1 1 1 -7  18  46 o 42.239  7.1452  232.063    70.619   251.852    91.161   202.367    111.671  43.291  8.9733  38.098  11.282  5.193291       14.41516 
1 1 1 -7  19  1  o 271.576 5.9869  8961.06    394.511  9042.02    556.315  8879.16    559.544  272.604 8.4106  270.126 8.5370  2.478027       11.98405 
1 1 1 -7  19  2  o 132.144 3.9724  2120.00    127.369  2177.47    178.920  2060.96    181.359  133.879 5.5079  130.240 5.7389  3.638779       7.954367 
1 1 1 -7  19  3  f 341.455 7.2239  14181.51   598.510  14148.13   844.669  14215.18   848.184  340.614 10.220  341.417 10.239  -0.8030090     14.46658 
1 1 1 -7  19  4  o 148.719 4.1384  2685.81    149.335  2708.18    210.417  2663.11    211.975  149.269 5.8096  148.018 5.9021  1.251556       8.281677 
1 1 1 -7  19  5  o 276.865 6.0667  9320.57    407.552  9250.54    574.945  9391.30    577.797  275.511 8.6005  277.603 8.5780  -2.091492      12.14705 
1 1 1 -7  19  6  o 141.479 4.0203  2431.04    138.013  2420.65    194.438  2441.60    195.929  141.100 5.6792  141.708 5.6982  -0.6082306     8.045093 
1 1 1 -7  19  7  o 373.593 11.150  17088.34   1010.77  17895.91   1407.27  16227.77   1452.70  380.822 15.230  362.095 16.534  18.72739       22.47958 
1 1 1 -7  19  8  o 228.487 7.5148  6362.18    416.621  6364.56    568.579  6359.41    612.221  228.087 10.274  227.841 11.074  0.2460327      15.10585 
1 1 1 -7  19  9  o 304.344 9.3724  11319.75   692.118  11668.94   956.213  10935.50   1003.07  308.036 12.793  297.843 13.880  10.19296       18.87646 
1 1 1 -7  19  10 o 140.728 5.8290  2409.60    199.040  2438.45    262.361  2370.48    305.513  141.212 7.6860  139.002 9.1086  2.210220       11.91809 
1 1 1 -7  19  11 o 42.192  6.5459  221.817    64.842   190.888    78.148   290.166    116.173  38.800  8.5330  47.790  10.321  -8.989838      13.39121 
1 1 1 -7  19  12 o 276.454 6.0866  9300.63    408.284  9330.08    576.450  9270.99    578.357  276.471 8.5930  275.583 8.6493  0.8878784      12.19222 
1 1 1 -7  19  13 o 173.743 4.5984  3668.67    193.855  3692.90    273.714  3644.29    274.592  174.165 6.4770  173.009 6.5412  1.156158       9.205313 
1 1 1 -7  19  14 o 165.179 4.4872  3315.71    179.844  3316.00    254.071  3315.41    254.605  165.047 6.3443  165.031 6.3582  0.1606750E-01  8.982047 
1 1 1 -7  19  15 o 287.379 6.3082  10053.50   439.868  10034.59   621.523  10072.48   622.612  286.619 8.9369  287.160 8.9357  -0.5409546     12.63786 
1 1 1 -7  19  16 o 14.666  6.1797  2.3459     37.534   58.876     48.460   -82.4231   59.342   22.625  7.5373  13.445  6.4306  9.179830       9.907703 
1 1 1 -7  19  17 o 89.621  4.1245  975.959    89.691   1022.42    125.985  928.209    127.717  91.489  5.7037  87.112  6.0805  4.377098       8.336927 
1 1 1 -7  19  18 o 188.701 5.7565  4333.78    263.572  4614.27    484.394  4215.80    314.149  193.759 10.341  185.978 6.9616  7.781281       12.46563 
1 1 1 -7  19  19 o 134.156 6.2397  2192.32    203.113  2224.80    330.096  2172.52    257.666  134.322 10.204  133.140 8.0133  1.181839       12.97472 
1 1 1 -7  19  20 o 141.158 6.2407  2428.07    213.748  2526.18    342.576  2365.52    273.520  143.170 9.9227  138.879 8.1526  4.291245       12.84231 
1 1 1 -7  19  21 o 172.155 6.8493  3617.11    286.110  3256.49    443.581  3874.01    374.401  162.134 11.347  177.845 8.6762  -15.71101      14.28395 
1 1 1 -7  19  22 f 270.874 6.1079  8950.47    401.441  9142.96    568.460  8758.98    566.989  273.046 8.5802  267.195 8.7454  5.850800       12.25167 
1 1 1 -7  19  23 o 136.946 4.3723  2282.80    145.285  2159.83    204.296  2408.62    206.652  132.967 6.3322  140.456 6.0637  -7.489746      8.767254 
1 1 1 -7  19  24 o 221.841 5.3626  6005.43    288.656  5789.23    407.453  6223.26    408.996  217.132 7.7337  225.210 7.4846  -8.077942      10.76241 
1 1 1 -7  19  25 o 178.290 4.7005  3876.59    203.346  3837.90    288.276  3914.91    286.879  176.921 6.7153  178.714 6.6157  -1.793961      9.426693 
1 1 1 -7  19  26 o 116.351 5.9903  1662.70    168.541  1662.70    168.541  0.0000     0.0000   116.351 5.9903  ?       ?       0.000000       5.990283 
1 1 1 -7  19  27 o 136.049 6.2237  2272.50    205.450  2272.50    205.450  0.0000     0.0000   136.049 6.2237  ?       ?       0.000000       6.223656 
1 1 1 -7  19  28 f 114.925 4.2061  1612.17    117.290  1695.82    166.404  1529.57    165.346  117.539 5.8347  111.397 6.1410  6.141899       8.470893 
1 1 1 -7  19  29 o 50.514  4.7808  314.959    57.900   292.124    82.883   336.724    80.918   48.066  7.3394  51.866  6.5776  -3.800522      9.855495 
1 1 1 -7  19  30 f 74.765  4.2882  685.416    77.467   742.790    110.176  629.318    108.944  77.483  5.9047  71.165  6.3768  6.318283       8.690728 
1 1 1 -7  19  31 o 53.196  4.6746  349.107    59.725   283.517    84.967   413.169    83.971   47.188  7.6854  57.594  6.1017  -10.40624      9.813002 
1 1 1 -7  19  32 o 45.110  5.2632  253.187    56.525   304.613    86.252   214.474    74.835   48.976  7.4966  40.851  7.8348  8.125301       10.84360 
1 1 1 -7  19  33 o 107.616 5.9744  1433.07    155.390  1526.11    191.373  1253.03    266.222  110.596 7.1700  98.107  11.396  12.48943       13.46384 
1 1 1 -7  19  34 o 60.355  12.216  489.637    172.755  0.0000     0.0000   489.637    172.755  ?       ?       60.355  12.216  0.000000       12.21564 
1 1 1 -7  19  35 o 72.187  6.1738  650.162    107.097  0.0000     0.0000   650.162    107.097  ?       ?       72.187  6.1738  0.000000       6.173790 
1 1 1 -7  19  36 o 78.502  4.6881  760.436    88.890   842.622    128.083  684.073    123.463  82.037  6.4874  73.680  6.9896  8.357384       9.536326 
1 1 1 -7  19  37 o 12.398  5.7417  -33.1297   40.960   -4.0602    70.092   -48.2044   50.475   19.022  8.2387  13.322  6.2375  5.700527       10.33354 
1 1 1 -7  19  38 o 38.622  8.3568  196.867    76.039   292.793    216.142  183.317    81.232   45.477  15.899  37.052  9.1014  8.425484       18.31946 
1 1 1 -7  19  39 o 24.988  8.5499  75.508     62.361   -169.3146  203.583  100.858    65.510   26.010  12.286  27.938  8.7165  -1.927160      15.06392 
1 1 1 -7  19  40 o 73.763  6.9496  692.466    122.918  868.354    271.161  646.978    137.899  76.733  15.102  70.644  8.1973  6.089165       17.18310 
1 1 1 -7  19  41 o 42.642  6.4238  233.007    64.402   282.153    90.535   182.663    91.632   46.235  8.3786  36.596  10.024  9.638752       13.06446 
1 1 1 -7  19  42 o 51.693  5.7074  337.064    70.394   391.472    103.224  289.762    96.247   54.821  7.9953  46.678  8.8211  8.143486       11.90537 
1 1 1 -7  19  43 o 58.923  5.7091  436.737    80.600   532.464    115.781  346.725    112.271  64.305  7.5651  50.888  9.4402  13.41658       12.09742 
1 1 1 -7  19  44 o 46.908  6.1724  280.142    68.547   339.242    99.289   226.322    94.751   50.793  8.3462  40.782  9.7140  10.01080       12.80706 
1 1 1 -7  19  45 o 71.679  5.5780  645.061    96.249   533.135    123.616  817.383    153.384  63.904  8.1585  79.348  8.0795  -15.44389      11.48214 
1 1 1 -7  19  46 o 20.423  8.0991  33.787     59.773   -0.5664    74.526   95.733     100.076  19.568  8.4851  28.678  10.706  -9.110189      13.66089 
1 1 1 -7  20  1  o 102.350 3.7586  1271.84    93.342   1168.86    130.926  1378.29    133.111  97.920  5.5331  106.512 5.1506  -8.591377      7.559341 
1 1 1 -7  20  2  o 397.167 8.2077  19211.75   790.970  18842.10   1116.71  19583.91   1120.50  392.537 11.725  400.239 11.538  -7.702301      16.44959 
1 1 1 -7  20  3  o 11.964  5.3536  -14.4873   31.935   11.655     46.596   -37.6427   43.854   17.142  7.0238  12.835  5.9429  4.307243       9.200687 
1 1 1 -7  20  4  o 284.600 8.8299  9879.38    609.752  9992.21    840.614  9754.08    885.798  285.544 12.133  281.925 12.949  3.619659       17.74489 
1 1 1 -7  20  5  o 116.901 5.5965  1661.82    158.743  1942.73    207.803  1268.17    245.990  126.143 6.8146  101.358 10.138  24.78468       12.21564 
1 1 1 -7  20  6  o 245.119 8.0934  7327.65    481.363  8104.31    658.875  6438.53    704.959  257.312 10.553  228.539 12.764  28.77293       16.56144 
1 1 1 -7  20  7  o 171.454 6.3657  3578.60    264.824  3656.36    355.018  3481.05    397.630  173.082 8.4535  168.436 9.7713  4.645844       12.92048 
1 1 1 -7  20  8  o 220.645 7.2687  5933.38    389.147  5623.91    529.090  6298.09    574.368  214.347 10.173  226.778 10.438  -12.43117      14.57550 
1 1 1 -7  20  9  o 84.781  5.4181  877.772    110.876  928.367    140.338  793.735    180.868  87.055  6.6952  80.027  9.5001  7.027985       11.62228 
1 1 1 -7  20  10 o 302.897 6.5255  11171.08   479.594  11079.07   677.211  11263.66   679.290  301.095 9.2695  303.604 9.2211  -2.509430      13.07489 
1 1 1 -7  20  11 o 116.561 3.9201  1650.45    110.868  1633.55    156.249  1667.59    157.340  115.886 5.5568  117.088 5.5381  -1.202499      7.845278 
1 1 1 -7  20  12 o 288.581 6.3986  10138.63   448.036  10270.25   632.455  10006.04   634.789  289.958 8.9894  286.170 9.1420  3.787476       12.82128 
1 1 1 -7  20  13 f 88.092  3.7846  942.633    80.896   896.685    114.210  988.895    114.598  85.682  5.5229  90.023  5.2694  -4.340599      7.633428 
1 1 1 -7  20  14 o 92.894  5.0679  1052.38    113.798  1144.15    143.298  895.691    187.245  96.759  6.1353  85.119  9.2131  11.64011       11.06900 
1 1 1 -7  20  15 f 93.258  4.0836  1056.73    92.405   1077.73    131.875  1036.48    129.516  93.929  5.8149  92.106  5.8253  1.822861       8.230845 
1 1 1 -7  20  16 o 229.827 5.3845  6425.74    300.268  6604.18    425.313  6248.42    423.976  232.692 7.5329  226.307 7.7211  6.384766       10.78703 
1 1 1 -7  20  17 o 154.861 6.4333  2921.53    241.737  2958.64    382.751  2896.90    311.792  155.027 10.233  153.762 8.3887  1.265488       13.23181 
1 1 1 -7  20  18 o 15.805  7.2581  -47.0581   63.515   -232.9397  166.123  -15.2337   68.737   22.336  10.703  18.478  8.0786  3.858406       13.40990 
1 1 1 -7  20  19 o 96.813  6.1254  1146.64    143.148  1260.98    254.432  1093.69    173.153  100.760 10.564  94.321  7.6312  6.438835       13.03205 
1 1 1 -7  20  20 o 185.429 6.9372  4198.04    312.125  4346.32    481.197  4090.34    410.100  187.595 10.615  182.346 9.2998  5.248245       14.11263 
1 1 1 -7  20  21 o 173.340 4.7148  3657.72    198.301  3723.67    281.984  3593.20    278.921  174.602 6.6560  171.508 6.7024  3.094116       9.445876 
1 1 1 -7  20  22 o 148.777 4.4276  2694.82    159.833  2721.59    227.930  2668.93    224.191  149.247 6.2941  147.803 6.2513  1.443985       8.870967 
1 1 1 -7  20  23 o 81.662  4.1946  814.156    82.833   904.840    117.975  725.980    116.331  85.885  5.6935  76.786  6.2993  9.099060       8.490993 
1 1 1 -7  20  24 o 143.964 4.4003  2526.28    153.708  2562.48    218.335  2490.71    216.431  144.653 6.2206  142.606 6.2549  2.047455       8.821517 
1 1 1 -7  20  25 o 41.098  7.5466  214.453    72.482   214.453    72.482   0.0000     0.0000   41.098  7.5466  ?       ?       0.000000       7.546575 
1 1 1 -7  20  26 o 45.992  7.1536  266.635    77.236   266.635    77.236   0.0000     0.0000   45.992  7.1536  ?       ?       0.000000       7.153605 
1 1 1 -7  20  27 o 99.528  4.1593  1209.14    100.446  1241.74    142.258  1176.73    141.847  100.394 5.8654  97.684  6.0138  2.710388       8.400514 
1 1 1 -7  20  28 o 105.316 4.1784  1354.72    106.775  1382.62    151.068  1326.88    150.939  105.883 5.9036  103.685 6.0256  2.198044       8.435609 
1 1 1 -7  20  29 o 161.769 4.6952  3203.96    184.295  3132.72    260.785  3275.03    260.481  159.191 6.7515  162.837 6.5927  -3.646057      9.436409 
1 1 1 -7  20  30 o 47.557  5.0143  280.362    56.989   282.548    81.313   278.252    79.897   47.190  7.3400  46.842  7.2649  0.3477859      10.32735 
1 1 1 -7  20  31 o 52.732  5.0378  344.247    63.674   319.861    95.285   363.922    85.590   50.013  8.1312  53.833  6.6973  -3.819408      10.53429 
1 1 1 -7  20  32 o 161.746 6.6870  3242.80    262.439  3298.91    335.055  3153.73    422.145  161.843 8.5626  156.207 11.212  5.636139       14.10795 
1 1 1 -7  20  33 o 102.203 5.8963  1294.32    145.599  1284.24    177.631  1314.95    254.172  101.253 7.2787  100.765 10.552  0.4884033      12.81912 
1 1 1 -7  20  34 o 149.891 6.6683  2795.07    242.522  0.0000     0.0000   2795.07    242.522  ?       ?       149.891 6.6683  0.000000       6.668264 
1 1 1 -7  20  35 o 18.168  7.2394  22.736     47.968   33.358     81.610   17.130     59.291   23.030  9.3495  19.176  7.8977  3.854628       12.23872 
1 1 1 -7  20  36 o 43.967  6.0906  244.704    63.231   265.402    96.256   228.992    83.862   44.777  9.1680  41.721  8.5710  3.056561       12.55046 
1 1 1 -7  20  37 o 38.144  6.2586  186.018    55.916   178.475    85.472   191.661    73.931   36.456  9.5488  38.124  8.2332  -1.667305      12.60810 
1 1 1 -7  20  38 o 24.028  8.9504  60.875     69.867   419.416    207.326  14.941     74.208   52.950  15.286  20.728  8.7093  32.22148       17.59270 
1 1 1 -7  20  39 o 63.377  7.1482  514.345    108.004  230.019    250.265  579.418    119.727  42.169  16.620  67.149  7.4752  -24.98018      18.22373 
1 1 1 -7  20  40 o 68.193  4.9977  579.607    82.118   618.617    116.966  541.690    115.316  69.587  7.0234  64.867  7.4625  4.719826       10.24782 
1 1 1 -7  20  41 o 103.116 4.7473  1316.02    118.779  1392.24    164.473  1232.94    171.719  104.986 6.4883  98.293  7.2512  6.693237       9.730251 
1 1 1 -7  20  42 o 80.801  5.0076  812.512    97.694   873.013    136.333  748.657    140.062  82.885  6.8400  76.272  7.6722  6.612778       10.27857 
1 1 1 -7  20  43 f 72.400  5.2747  655.030    92.024   654.218    131.015  655.821    129.286  71.207  7.7058  71.361  7.5828  -0.1543350     10.81107 
1 1 1 -7  20  44 o 67.543  5.8536  575.323    94.984   523.659    122.921  651.890    149.643  63.285  8.1976  70.218  8.9893  -6.933155      12.16592 
1 1 1 -7  20  45 o 17.726  7.7336  -5.2670    62.701   -1.0157    75.688   -14.5670   111.945  19.676  8.5415  22.857  10.138  -3.181143      13.25675 
1 1 1 -7  21  1  o 339.077 7.1236  13996.21   586.088  14061.59   827.047  13930.25   830.672  339.298 10.046  337.689 10.138  1.609283       14.27219 
1 1 1 -7  21  2  o 82.577  5.3689  832.490    106.990  910.275    137.417  712.756    170.491  86.233  6.6180  75.825  9.4734  10.40719       11.55608 
1 1 1 -7  21  3  o 106.142 5.4040  1373.42    138.716  1329.27    180.240  1437.56    217.250  104.223 7.1709  108.249 8.3354  -4.025269      10.99548 
1 1 1 -7  21  4  o 110.297 5.4637  1479.53    146.223  1530.37    188.597  1402.90    231.522  111.874 6.9826  106.805 9.0181  5.069244       11.40537 
1 1 1 -7  21  5  o 325.554 10.049  12969.89   793.836  14024.37   1099.56  11821.94   1147.26  337.389 13.432  309.064 15.299  28.32443       20.35807 
1 1 1 -7  21  6  o 107.162 5.4527  1400.47    141.314  1353.63    182.270  1471.04    223.741  105.147 7.1872  109.443 8.4919  -4.295967      11.12516 
1 1 1 -7  21  7  o 164.672 6.2324  3301.13    249.025  3270.65    332.616  3340.01    375.645  163.468 8.4144  165.014 9.4210  -1.546494      12.63158 
1 1 1 -7  21  8  o 323.240 6.9056  12728.79   541.618  12795.47   764.908  12661.74   767.022  323.421 9.7471  321.705 9.8262  1.716003       13.84057 
1 1 1 -7  21  9  o 218.581 5.1336  5809.66    272.271  5734.01    384.286  5885.92    385.818  216.900 7.3018  219.763 7.2354  -2.863525      10.27949 
1 1 1 -7  21  10 o 203.440 4.9782  5032.00    245.736  5227.35    346.579  4834.50    348.474  207.147 6.8954  199.173 7.2107  7.974289       9.977015 
1 1 1 -7  21  11 o 152.325 4.2800  2819.50    158.191  2850.84    222.852  2787.67    224.590  153.051 6.0009  151.336 6.1162  1.714569       8.568501 
1 1 1 -7  21  12 o 210.949 5.1343  5411.36    262.796  5399.93    370.431  5422.95    372.881  210.481 7.2532  210.924 7.2858  -0.4438171     10.28069 
1 1 1 -7  21  13 o 268.834 5.9642  8796.46    389.043  8561.77    549.140  9032.96    551.247  264.773 8.5476  272.002 8.3524  -7.228882      11.95088 
1 1 1 -7  21  14 o 207.112 5.0595  5216.60    254.260  5026.58    358.787  5408.30    360.376  203.044 7.2826  210.645 7.0508  -7.601227      10.13657 
1 1 1 -7  21  15 o 174.816 5.2440  3717.65    222.439  3638.60    368.057  3763.13    279.197  172.301 8.8333  175.750 6.5471  -3.448944      10.99512 
1 1 1 -7  21  16 o 99.196  6.1333  1202.98    146.898  1373.44    253.628  1116.94    180.200  105.385 10.040  95.327  7.8608  10.05863       12.75124 
1 1 1 -7  21  17 o 148.529 6.3803  2688.66    229.942  2751.91    365.819  2647.34    295.649  149.415 10.151  146.919 8.3277  2.495972       13.12953 
1 1 1 -7  21  18 o 100.104 6.0727  1225.69    146.804  1586.33    257.495  1052.01    178.690  113.346 9.4487  92.410  8.0497  20.93671       12.41272 
1 1 1 -7  21  19 o 149.270 6.4009  2718.56    231.834  2813.77    372.054  2658.13    296.414  150.871 10.224  147.083 8.3400  3.787979       13.19390 
1 1 1 -7  21  20 o 67.293  4.4062  553.431    71.548   507.851    102.929  596.045    99.524   64.125  6.7148  69.645  5.9464  -5.520233      8.969290 
1 1 1 -7  21  21 o 47.360  5.1959  276.725    58.727   273.036    82.043   280.601    84.101   46.626  7.5067  47.265  7.5902  -0.6390648     10.67529 
1 1 1 -7  21  22 f 138.566 4.3848  2339.20    147.425  2367.42    210.275  2311.91    206.750  139.104 6.2299  137.469 6.1983  1.634872       8.788146 
1 1 1 -7  21  23 o 77.149  4.1968  727.418    78.266   758.531    112.616  698.350    108.850  78.501  5.9568  75.294  6.0080  3.206367       8.460489 
1 1 1 -7  21  24 o 179.042 6.9201  3942.94    300.628  3942.94    300.628  0.0000     0.0000   179.042 6.9201  ?       ?       0.000000       6.920056 
1 1 1 -7  21  25 o 72.179  6.1780  644.432    107.156  644.432    107.156  0.0000     0.0000   72.179  6.1780  ?       ?       0.000000       6.177989 
1 1 1 -7  21  26 o 69.763  4.2974  596.629    72.390   619.926    104.031  574.759    100.795  70.749  6.1203  68.093  6.1675  2.656151       8.688907 
1 1 1 -7  21  27 o 91.050  4.2122  1012.85    93.058   1124.39    132.788  905.197    130.450  95.476  5.7589  85.475  6.3349  10.00008       8.561344 
1 1 1 -7  21  28 o 90.296  4.2048  996.621    92.126   998.391    131.043  994.892    129.540  89.825  6.0477  89.684  5.9873  0.1412048      8.510113 
1 1 1 -7  21  29 o 105.576 4.2622  1363.27    109.187  1366.19    154.679  1360.38    154.149  105.081 6.0927  104.860 6.0847  0.2217789      8.610741 
1 1 1 -7  21  30 o 94.073  4.6132  1084.34    105.300  1148.58    161.137  1036.45    139.113  95.983  6.9664  91.376  6.3131  4.606407       9.401339 
1 1 1 -7  21  31 f 167.160 6.7665  3466.95    274.450  3383.09    348.835  3603.19    444.627  163.654 8.8173  167.071 11.030  -3.416519      14.12121 
1 1 1 -7  21  32 o 107.210 6.0077  1425.48    155.650  1381.86    188.102  1520.20    277.205  104.948 7.4349  108.256 10.693  -3.308319      13.02374 
1 1 1 -7  21  33 o 48.721  7.1054  302.044    81.526   0.0000     0.0000   302.044    81.526   ?       ?       48.721  7.1054  0.000000       7.105404 
1 1 1 -7  21  34 o 48.922  5.9394  300.961    69.058   352.879    112.532  269.597    87.464   51.852  9.2853  45.549  8.2161  6.302891       12.39842 
1 1 1 -7  21  35 o 22.875  7.8270  61.828     52.261   96.451     85.008   40.791     66.263   28.424  9.9687  21.972  8.5843  6.451885       13.15543 
1 1 1 -7  21  36 o 47.136  6.0838  281.335    67.958   356.715    95.921   205.368    96.294   52.543  7.7570  38.931  10.106  13.61269       12.73939 
1 1 1 -7  21  37 o 49.687  7.7183  320.510    90.034   197.568    224.585  344.052    98.277   40.191  15.775  51.324  8.1652  -11.13332      17.76277 
1 1 1 -7  21  38 o 36.255  8.7099  176.333    75.663   -24.6528   226.224  201.648    80.287   31.391  14.131  38.796  8.7388  -7.405365      16.61521 
1 1 1 -7  21  39 o 83.876  4.8044  874.156    97.372   900.873    136.494  846.469    138.949  84.209  6.7366  81.408  7.1056  2.801628       9.791352 
1 1 1 -7  21  40 o 98.308  4.7121  1196.42    112.401  1304.92    156.930  1082.12    161.068  101.641 6.3958  91.988  7.2757  9.652657       9.687214 
1 1 1 -7  21  41 o 43.267  6.2205  239.315    63.428   290.244    91.138   191.477    88.329   46.887  8.3155  37.481  9.6536  9.405437       12.74126 
1 1 1 -7  21  42 o 52.198  5.8944  344.966    73.348   384.721    105.583  307.885    101.970  54.120  8.3057  47.946  9.0979  6.173626       12.31894 
1 1 1 -7  21  43 o 56.887  5.9332  409.835    80.691   377.933    107.419  451.149    122.242  53.422  8.5773  58.264  8.9315  -4.842789      12.38313 
1 1 1 -7  21  44 o 27.736  8.6122  101.489    64.038   29.981     84.770   196.541    97.735   22.689  9.4030  37.525  10.383  -14.83655      14.00790 
1 1 1 -7  22  1  o 216.178 7.2471  5693.90    380.135  5640.74    518.208  5755.82    559.328  214.763 9.9444  216.819 10.632  -2.055954      14.55768 
1 1 1 -7  22  2  o 127.536 5.7089  1978.82    176.666  2143.61    233.256  1757.09    270.561  132.427 7.2873  119.534 9.4044  12.89309       11.89740 
1 1 1 -7  22  3  o 178.411 6.5434  3876.35    283.264  4026.02    380.615  3690.55    424.096  181.568 8.6394  173.339 10.127  8.229218       13.31174 
1 1 1 -7  22  4  o 287.401 8.9560  10093.72   624.552  10280.71   859.676  9884.72    908.875  289.144 12.253  283.207 13.226  5.936462       18.02995 
1 1 1 -7  22  5  o 216.513 7.3641  5715.25    386.875  5979.29    525.109  5401.77    572.161  221.044 9.7906  209.505 11.297  11.53836       14.94925 
1 1 1 -7  22  6  o 235.847 5.5009  6766.61    314.796  6930.76    443.607  6600.10    446.786  238.386 7.6693  232.590 7.9167  5.796173       11.02234 
1 1 1 -7  22  7  o 76.820  3.7677  716.853    70.228   705.033    99.672   728.506    98.966   75.938  5.4456  77.212  5.3149  -1.273857      7.609324 
1 1 1 -7  22  8  o 78.264  3.7562  744.054    71.331   785.686    100.354  701.542    101.408  80.212  5.1839  75.737  5.5570  4.475197       7.599564 
1 1 1 -7  22  9  o 159.122 4.4029  3077.15    169.996  3130.42    239.501  3023.06    241.330  160.361 6.1552  157.574 6.3120  2.787643       8.816308 
1 1 1 -7  22  10 o 236.678 5.4499  6814.23    312.976  6737.01    441.728  6892.06    443.507  235.013 7.7464  237.711 7.6893  -2.698532      10.91476 
1 1 1 -7  22  11 o 112.360 3.9410  1533.83    107.443  1417.48    150.684  1654.16    153.242  107.772 5.7835  116.610 5.4160  -8.838058      7.923474 
1 1 1 -7  22  12 o 82.468  3.9814  826.341    79.669   714.052    112.134  940.801    113.212  76.342  6.1046  87.781  5.3407  -11.43916      8.111045 
1 1 1 -7  22  13 o 27.953  6.8438  99.023     46.045   12.121     63.752   193.795    66.575   19.709  8.1602  39.251  7.2577  -19.54150      10.92076 
1 1 1 -7  22  14 o 29.661  9.1385  107.464    72.264   104.336    137.470  108.659    84.947   33.488  12.539  30.404  9.9721  3.083765       16.02083 
1 1 1 -7  22  15 o 191.831 6.8951  4487.61    320.941  4822.08    484.913  4226.88    428.131  198.012 10.127  185.500 9.5443  12.51208       13.91550 
1 1 1 -7  22  16 o 230.051 7.7269  6465.83    431.313  6625.42    641.581  6334.23    582.612  231.923 11.401  227.007 10.577  4.915619       15.55194 
1 1 1 -7  22  17 o 88.477  5.9467  958.317    126.923  907.390    213.782  986.040    157.730  85.247  10.562  89.549  7.3233  -4.302490      12.85215 
1 1 1 -7  22  18 o 131.699 4.3291  2110.01    138.337  2207.76    195.159  2011.30    196.121  134.548 5.9779  128.385 6.2957  6.162476       8.681655 
1 1 1 -7  22  19 o 208.411 5.2701  5294.38    266.502  5358.60    377.880  5230.83    375.909  209.184 7.4450  206.662 7.4965  2.522202       10.56527 
1 1 1 -7  22  20 o 60.222  4.5565  444.282    66.089   473.810    91.397   411.925    95.676   61.963  6.1607  57.583  6.9911  4.380547       9.318262 
1 1 1 -7  22  21 o 54.810  4.7382  369.024    62.395   366.717    87.834   371.373    88.651   54.280  6.8196  54.624  6.8385  -0.3447647     9.657711 
1 1 1 -7  22  22 f 71.600  4.3100  627.236    74.530   749.384    107.446  513.967    103.467  78.055  5.7129  64.369  6.7239  13.68635       8.823171 
1 1 1 -7  22  23 o 47.726  6.9706  285.990    78.341   285.990    78.341   0.0000     0.0000   47.726  6.9706  ?       ?       0.000000       6.970585 
1 1 1 -7  22  24 o 91.360  6.0108  1029.26    132.501  1029.26    132.501  0.0000     0.0000   91.360  6.0108  ?       ?       0.000000       6.010767 
1 1 1 -7  22  25 o 55.505  4.5000  379.022    60.083   368.758    85.802   388.898    84.162   54.298  6.6516  55.860  6.3207  -1.561695      9.175765 
1 1 1 -7  22  26 o 52.773  4.6874  343.529    59.398   362.569    85.539   325.799    82.542   53.784  6.6999  50.903  6.8575  2.881096       9.587188 
1 1 1 -7  22  27 o 75.656  4.2723  702.143    78.106   654.224    112.137  747.297    108.854  72.508  6.4409  77.702  5.8157  -5.194336      8.677997 
1 1 1 -7  22  28 o 66.959  4.3885  551.036    70.906   460.219    102.017  635.907    98.621   60.515  7.0817  71.644  5.7209  -11.12904      9.103761 
1 1 1 -7  22  29 o 68.987  6.1293  592.140    101.529  637.644    118.509  466.593    196.847  71.368  6.9310  58.254  14.082  13.11341       15.69530 
1 1 1 -7  22  30 o 99.590  6.0138  1229.58    144.638  1248.61    173.917  1186.91    260.467  99.892  7.2241  95.210  11.508  4.682640       13.58786 
1 1 1 -7  22  31 o 67.462  6.2649  568.490    101.381  613.818    116.932  431.265    203.454  69.883  6.9897  55.368  14.842  14.51502       16.40516 
1 1 1 -7  22  32 o 70.544  6.4807  623.634    109.690  0.0000     0.0000   623.634    109.690  ?       ?       70.544  6.4807  0.000000       6.480720 
1 1 1 -7  22  33 o 21.337  8.3699  36.911     63.191   0.0000     0.0000   36.911     63.191   ?       ?       21.337  8.3699  0.000000       8.369945 
1 1 1 -7  22  34 o 38.920  6.3196  193.431    57.633   169.688    92.430   208.534    73.718   35.579  10.187  39.955  7.8839  -4.376251      12.88176 
1 1 1 -7  22  35 o 20.935  7.6870  46.148     51.202   107.985    84.377   10.104     64.419   29.357  9.9457  19.200  8.0934  10.15652       12.82268 
1 1 1 -7  22  36 o 33.954  8.9943  154.727    75.282   155.699    206.344  154.578    80.855   37.509  14.993  33.884  9.4683  3.625538       17.73202 
1 1 1 -7  22  37 o 33.637  9.0879  152.560    75.928   148.595    223.858  153.075    80.712   37.600  15.400  33.647  9.4804  3.953632       18.08388 
1 1 1 -7  22  38 o 35.244  7.0802  162.708    58.446   175.138    86.907   152.445    78.971   35.809  9.7430  33.549  9.3511  2.259029       13.50438 
1 1 1 -7  22  39 o 28.267  7.6985  105.766    54.229   96.543     82.441   112.800    71.999   27.987  9.8169  29.256  9.1396  -1.268845      13.41287 
1 1 1 -7  22  40 o 49.539  5.6464  310.151    66.658   256.357    96.075   360.081    92.561   43.513  9.3764  52.698  7.4464  -9.184780      11.97348 
1 1 1 -7  22  41 o 9.2309  4.5602  -81.6832   37.270   -89.3457   65.431   -78.0029   45.346   13.883  6.6698  10.943  5.3272  2.940159       8.536122 
1 1 1 -7  22  42 o 26.337  8.5513  89.030     62.523   100.408    81.496   72.751     97.476   28.256  9.7690  26.860  10.434  1.395472       14.29373 
1 1 1 -7  22  43 o 22.771  8.6043  53.971     65.045   38.195     86.709   74.272     98.364   23.424  9.5878  26.916  10.475  -3.492243      14.20019 
1 1 1 -7  23  1  o 220.338 7.3792  5919.45    394.516  5915.50    537.593  5924.05    580.764  219.792 10.080  219.780 10.890  0.1113892E-01  14.83972 
1 1 1 -7  23  2  o 95.921  5.3294  1122.65    123.550  918.064    159.251  1431.95    195.813  86.418  7.6746  108.101 7.5119  -21.68304      10.73911 
1 1 1 -7  23  3  o 582.366 16.840  42229.56   2379.66  43418.62   3340.23  41004.04   3391.05  583.339 23.599  565.547 24.712  17.79297       34.16972 
1 1 1 -7  23  4  o 42.373  4.5508  220.744    46.055   216.377    65.936   224.904    64.357   41.617  6.7617  42.500  6.4428  -0.8833580     9.339756 
1 1 1 -7  23  5  o 312.949 6.7450  11931.21   512.178  12097.26   722.535  11763.49   726.137  314.487 9.4687  310.069 9.6515  4.417969       13.52068 
1 1 1 -7  23  6  o 313.196 6.7443  11950.04   512.531  11934.36   723.081  11965.86   726.588  312.344 9.5409  312.747 9.5748  -0.4026794     13.51688 
1 1 1 -7  23  7  o 350.815 7.3641  15005.14   626.850  15083.09   885.059  14926.68   887.948  350.865 10.396  349.011 10.485  1.853577       14.76554 
1 1 1 -7  23  8  o 104.291 3.8504  1321.37    97.435   1292.76    136.660  1350.95    138.958  102.938 5.4913  105.239 5.4606  -2.300903      7.744160 
1 1 1 -7  23  9  o 159.354 4.4388  3086.46    171.631  3033.13    242.287  3140.18    243.161  157.821 6.3271  160.590 6.2404  -2.769226      8.886745 
1 1 1 -7  23  10 o 265.048 5.9974  8552.19    385.703  8495.17    544.202  8609.73    546.739  263.706 8.5051  265.481 8.4875  -1.775818      12.01559 
1 1 1 -7  23  11 o 66.153  4.1856  533.957    66.838   483.441    93.913   585.807    95.145   62.696  6.2569  69.142  5.7227  -6.445499      8.479270 
1 1 1 -7  23  12 o 123.132 4.9402  1843.98    147.596  2006.98    277.866  1779.91    174.204  127.778 9.0202  120.907 5.9381  6.871094       10.79927 
1 1 1 -7  23  13 o 190.270 6.8739  4414.43    317.349  4644.61    477.360  4232.13    424.819  194.330 10.159  185.646 9.4623  8.684006       13.88318 
1 1 1 -7  23  14 o 189.392 6.9486  4375.79    319.315  4322.56    481.135  4417.70    426.878  187.256 10.633  189.890 9.2648  -2.634460      14.10324 
1 1 1 -7  23  15 o 163.506 6.5117  3260.51    258.339  3164.61    396.867  3331.03    340.311  160.144 10.268  164.738 8.5430  -4.593994      13.35685 
1 1 1 -7  23  16 o 125.864 6.0439  1931.59    184.579  1962.29    293.094  1911.42    237.617  126.017 9.6590  124.743 7.8912  1.273621       12.47269 
1 1 1 -7  23  17 o 124.930 4.2973  1898.95    130.265  1987.55    182.395  1806.71    186.105  127.650 5.8888  121.492 6.3351  6.158997       8.649384 
1 1 1 -7  23  18 o 24.597  7.2632  75.212     46.341   142.132    60.987   -16.2137   71.285   33.395  7.6860  18.741  8.2094  14.65335       11.24584 
1 1 1 -7  23  19 o 28.173  6.8702  101.093    46.542   116.957    60.404   77.913     73.016   30.314  8.0694  26.519  9.2423  3.795593       12.26928 
1 1 1 -7  23  20 o 162.165 4.6004  3206.68    181.016  3167.40    254.871  3246.66    257.136  160.755 6.5342  162.760 6.5111  -2.004852      9.224414 
1 1 1 -7  23  21 o 100.606 4.1450  1233.77    101.184  1268.62    144.610  1200.34    141.627  101.607 5.8909  98.817  5.9343  2.790474       8.361712 
1 1 1 -7  23  22 o 49.341  7.1039  305.866    82.596   305.866    82.596   0.0000     0.0000   49.341  7.1039  ?       ?       0.000000       7.103859 
1 1 1 -7  23  23 o 147.867 6.4835  2691.88    232.618  2691.88    232.618  0.0000     0.0000   147.867 6.4835  ?       ?       0.000000       6.483471 
1 1 1 -7  23  24 o 110.775 4.2091  1499.02    113.136  1453.82    161.524  1542.54    158.515  108.502 6.1607  111.867 5.8603  -3.364304      8.502738 
1 1 1 -7  23  25 o 71.040  4.3270  619.348    74.230   545.375    105.767  691.151    104.204  66.107  6.6857  74.734  5.7917  -8.627419      8.845486 
1 1 1 -7  23  26 f 17.007  6.7189  20.384     40.991   17.610     60.606   22.724     55.650   19.500  8.0026  19.289  7.7590  0.2109566      11.14643 
1 1 1 -7  23  27 o 35.527  6.0324  159.855    50.142   136.170    72.525   181.543    69.401   32.383  8.9376  37.476  7.8821  -5.093590      11.91674 
1 1 1 -7  23  28 o 55.407  6.5709  385.316    86.618   332.259    99.460   551.891    176.230  50.869  8.3477  64.492  11.692  -13.62279      14.36650 
1 1 1 -7  23  29 o 45.586  7.1780  264.621    76.770   209.321    85.946   482.901    170.755  39.946  9.0739  59.920  12.160  -19.97424      15.17241 
1 1 1 -7  23  30 o 49.986  6.9644  316.813    82.174   287.116    92.621   426.624    178.103  47.089  8.4152  55.581  13.370  -8.491566      15.79750 
1 1 1 -7  23  31 o 56.939  7.0104  410.616    94.808   0.0000     0.0000   410.616    94.808   ?       ?       56.939  7.0104  0.000000       7.010429 
1 1 1 -7  23  32 o 79.515  6.7138  795.357    128.322  0.0000     0.0000   795.357    128.322  ?       ?       79.515  6.7138  0.000000       6.713789 
1 1 1 -7  23  33 o 59.868  5.1793  446.501    74.495   419.475    109.801  469.552    101.404  56.924  8.1851  60.768  7.0056  -3.844540      10.77373 
1 1 1 -7  23  34 o 56.903  5.4363  405.488    74.145   481.947    109.964  341.748    100.402  61.246  7.5601  51.099  8.3890  10.14692       11.29289 
1 1 1 -7  23  35 o 13.923  6.3385  -26.5412   47.070   -220.7969  198.915  -15.0188   48.446   24.326  11.671  14.942  6.6465  9.383247       13.43111 
1 1 1 -7  23  36 o 57.178  7.5926  423.760    102.733  576.043    248.333  392.317    112.842  60.506  16.472  54.376  8.8575  6.129654       18.70279 
1 1 1 -7  23  37 o 22.289  7.3165  61.668     45.724   -101.9716  80.143   140.641    55.675   15.537  7.4422  32.658  7.2180  -17.12120      10.36758 
1 1 1 -7  23  38 o 100.273 4.7422  1246.42    115.379  1226.44    160.699  1267.69    165.760  98.172  6.7879  99.745  6.8912  -1.572937      9.672893 
1 1 1 -7  23  39 o 25.928  7.7139  87.854     52.118   81.419     80.065   92.585     68.655   26.462  9.6282  26.977  8.9707  -0.5144348     13.15961 
1 1 1 -7  23  40 o 28.199  7.8334  105.387    55.515   56.603     86.446   139.629    72.423   24.855  9.7769  32.177  8.9503  -7.322121      13.25497 
1 1 1 -7  23  41 o 45.970  5.9573  269.392    64.887   247.787    93.101   289.799    90.482   42.704  9.2525  46.729  8.2833  -4.025555      12.41864 
1 1 1 -7  23  42 o 29.558  8.3814  117.430    62.877   91.906     80.942   156.270    99.846   27.317  9.7131  33.692  10.793  -6.374918      14.51995 
1 1 1 -7  24  1  o 147.926 4.1807  2659.13    150.059  2801.31    210.824  2513.14    213.633  151.719 5.7269  143.671 6.1282  8.047546       8.387632 
1 1 1 -7  24  2  o 184.235 4.6657  4126.38    208.570  4131.96    293.075  4120.66    296.888  184.176 6.5582  183.913 6.6530  0.2627106      9.341914 
1 1 1 -7  24  3  o 145.625 4.1941  2577.04    148.195  2754.02    208.470  2396.24    210.708  150.436 5.7112  140.287 6.1901  10.14891       8.422288 
1 1 1 -7  24  4  o 89.500  3.7633  973.106    81.726   954.385    115.175  992.092    115.985  88.410  5.3948  90.153  5.3259  -1.742989      7.580822 
1 1 1 -7  24  5  o 374.574 7.7868  17119.00   707.719  17020.45   998.561  17218.46   1003.19  372.426 11.050  374.591 11.037  -2.165100      15.61817 
1 1 1 -7  24  6  o 287.734 6.3111  10082.18   440.617  9854.59    621.241  10312.56   625.030  283.912 9.0180  290.471 8.8682  -6.558777      12.64790 
1 1 1 -7  24  7  o 337.445 7.1584  13882.58   586.110  13977.14   827.681  13787.46   830.096  337.774 10.099  335.442 10.199  2.332062       14.35274 
1 1 1 -7  24  8  f 155.306 7.8672  2951.36    295.497  3431.75    367.060  2066.66    498.120  167.274 9.0777  127.877 16.434  39.39626       18.77451 
1 1 1 -7  24  9  o 196.210 4.9721  4682.18    236.715  4843.40    334.044  4519.55    335.491  199.330 6.9066  192.514 7.1822  6.816452       9.964190 
1 1 1 -7  24  10 o 260.955 5.9880  8292.22    379.149  8408.88    535.126  8174.62    537.274  262.315 8.4076  258.600 8.5626  3.714508       12.00019 
1 1 1 -7  24  11 o 284.454 8.8613  9899.57    611.610  10244.16   891.998  9593.83    840.217  288.069 12.762  278.903 12.416  9.165100       17.80475 
1 1 1 -7  24  12 o 188.536 6.7774  4334.96    310.043  4727.89    466.765  4024.70    414.761  196.340 9.7977  180.975 9.4782  15.36516       13.63202 
1 1 1 -7  24  13 o 212.624 7.4169  5521.47    382.648  5408.06    570.632  5614.15    515.806  209.227 11.282  213.835 9.9413  -4.607941      15.03699 
1 1 1 -7  24  14 o 149.940 6.3273  2741.99    230.199  2647.21    356.047  2810.07    301.749  146.399 10.085  151.292 8.2511  -4.892822      13.03003 
1 1 1 -7  24  15 o 270.085 6.1078  8898.39    400.266  8988.78    564.903  8807.25    567.227  270.729 8.5996  267.939 8.7248  2.789948       12.25051 
1 1 1 -7  24  16 o 304.066 6.6457  11299.68   490.311  11480.21   692.581  11118.30   694.230  305.392 9.3465  300.457 9.5226  4.934540       13.34309 
1 1 1 -7  24  17 o 113.152 4.1355  1558.42    113.541  1483.43    158.306  1637.86    162.937  110.045 5.9509  115.670 5.8241  -5.624573      8.326652 
1 1 1 -7  24  18 o 63.809  4.3979  498.409    67.675   424.733    94.121   577.267    97.375   58.496  6.7555  68.464  5.9199  -9.967983      8.982274 
1 1 1 -7  24  19 o 159.406 4.5534  3099.11    176.117  3000.32    248.238  3199.23    249.904  156.407 6.5411  161.552 6.3752  -5.145004      9.133951 
1 1 1 -7  24  20 o 64.434  4.3524  508.747    67.649   578.015    92.884   430.500    98.721   68.482  5.6400  58.739  7.0685  9.742813       9.042869 
1 1 1 -7  24  21 o 76.342  5.9303  719.409    108.988  719.409    108.988  0.0000     0.0000   76.342  5.9303  ?       ?       0.000000       5.930289 
1 1 1 -7  24  22 o 142.069 6.2672  2484.05    216.041  2484.05    216.041  0.0000     0.0000   142.069 6.2672  ?       ?       0.000000       6.267206 
1 1 1 -7  24  23 o 134.467 7.8973  2256.15    256.536  2256.15    256.536  0.0000     0.0000   134.467 7.8973  ?       ?       0.000000       7.897320 
1 1 1 -7  24  24 o 87.498  4.1717  935.917    88.568   974.345    126.381  898.829    124.157  88.754  5.9022  85.190  6.0457  3.564636       8.449075 
1 1 1 -7  24  25 o 32.329  6.1983  133.202    46.853   113.216    67.888   151.378    64.743   29.745  8.7933  34.166  7.9578  -4.421497      11.85951 
1 1 1 -7  24  26 f 40.466  5.3035  204.671    50.820   180.230    74.527   225.914    69.479   37.203  8.4487  42.118  7.0478  -4.914898      11.00238 
1 1 1 -7  24  27 o 54.179  6.6209  369.061    85.228   355.890    97.727   410.896    174.170  52.816  7.8659  54.804  13.245  -1.988480      15.40448 
1 1 1 -7  24  28 o 36.948  8.2854  178.059    72.446   161.801    80.106   251.079    169.769  35.084  9.2707  43.317  14.092  -8.232899      16.86818 
1 1 1 -7  24  29 o 67.177  6.2443  564.300    100.617  607.927    116.553  436.687    199.341  69.484  7.0088  55.639  14.587  13.84582       16.18357 
1 1 1 -7  24  30 o 65.698  6.5507  542.644    103.032  0.0000     0.0000   542.644    103.032  ?       ?       65.698  6.5507  0.000000       6.550704 
1 1 1 -7  24  31 o 41.412  8.5388  225.586    82.950   0.0000     0.0000   225.586    82.950   ?       ?       41.412  8.5388  0.000000       8.538778 
1 1 1 -7  24  32 o 63.995  5.3536  510.901    82.366   501.646    114.405  520.860    118.678  62.510  7.7059  63.646  7.8513  -1.136208      11.00108 
1 1 1 -7  24  33 o 22.972  7.6983  64.193     50.547   37.256     84.592   79.152     63.039   23.413  9.5137  25.409  8.5967  -1.995584      12.82239 
1 1 1 -7  24  34 o 10.970  5.3590  -85.5163   47.039   6.8153     194.364  -91.2608   48.480   30.459  13.442  11.017  5.3943  19.44201       14.48369 
1 1 1 -7  24  35 o 14.468  6.5819  -27.3716   50.641   -121.4098  202.057  -21.0686   52.311   26.811  12.529  15.148  6.8096  11.66261       14.26036 
1 1 1 -7  24  36 o 64.580  5.2268  522.704    81.200   466.513    117.610  573.887    112.247  59.529  8.3740  66.857  7.0243  -7.328304      10.93002 
1 1 1 -7  24  37 o 53.317  5.7927  360.129    73.733   426.940    108.616  303.027    100.414  57.047  8.0722  47.447  9.0524  9.599819       12.12874 
1 1 1 -7  24  38 o 57.404  5.3639  414.394    73.844   327.758    106.367  494.999    102.598  49.313  9.2288  62.089  6.9284  -12.77555      11.54004 
1 1 1 -7  24  39 o 40.255  6.4221  209.001    60.620   190.891    88.906   224.735    82.870   37.274  9.7269  40.907  8.6209  -3.632771      12.99746 
1 1 1 -7  24  40 o 12.598  5.8628  -36.6722   43.507   -43.6383   70.713   -32.4287   55.190   16.634  7.6461  14.891  6.8117  1.742539       10.24022 
1 1 1 -7  24  41 o 19.470  7.8416  27.240     56.918   -10.7863   74.001   82.324     89.065   18.826  8.3018  26.897  10.088  -8.070381      13.06509 
1 1 1 -7  25  1  o 161.930 4.3445  3186.96    170.699  3201.04    240.062  3172.56    242.771  162.144 6.1018  161.412 6.1986  0.7320557      8.698007 
1 1 1 -7  25  2  o 134.463 4.0618  2196.99    132.520  2190.87    185.805  2203.32    189.059  134.171 5.7073  134.546 5.7911  -0.3745880     8.130854 
1 1 1 -7  25  3  o 286.253 6.2512  9978.63    434.188  10084.20   611.752  9871.47    616.344  287.238 8.7775  284.153 8.9394  3.084991       12.52824 
1 1 1 -7  25  4  o 215.344 5.1129  5640.32    267.158  5691.24    376.221  5588.53    379.435  216.047 7.1768  214.069 7.3050  1.977722       10.24056 
1 1 1 -7  25  5  o 262.713 6.0040  8403.05    382.723  8444.79    539.341  8360.72    543.185  262.907 8.4547  261.573 8.5584  1.334503       12.03027 
1 1 1 -7  25  6  o 221.730 5.1063  5980.21    274.724  5731.45    387.244  6232.26    389.805  216.765 7.3626  226.079 7.1060  -9.313873      10.23244 
1 1 1 -7  25  7  o 80.131  3.9192  780.226    76.202   717.529    107.415  843.748    108.121  76.552  5.8266  83.098  5.3915  -6.545860      7.938352 
1 1 1 -7  25  8  o 28.994  6.6665  106.557    45.920   78.768     62.739   138.622    67.393   25.994  8.5722  33.048  8.3895  -7.054773      11.99440 
1 1 1 -7  25  9  f 286.440 8.9577  10041.07   622.581  10054.67   906.421  10028.92   856.614  285.231 13.097  285.144 12.381  0.8721924E-01  18.02275 
1 1 1 -7  25  10 o 133.519 5.9572  2171.57    192.997  2328.05    302.065  2063.62    250.883  137.584 9.0997  129.705 8.0109  7.879272       12.12353 
1 1 1 -7  25  11 o 19.377  8.1209  7.1382     64.254   -24.3708   126.413  18.115     74.611   25.133  10.973  21.580  8.8704  3.552956       14.10964 
1 1 1 -7  25  12 o 57.991  6.8572  416.104    94.619   521.113    164.367  364.059    115.715  64.185  10.947  53.753  9.2029  10.43157       14.30126 
1 1 1 -7  25  13 o 121.885 5.9513  1811.42    176.006  1713.27    280.595  1875.10    225.993  117.613 9.9252  123.591 7.5726  -5.978622      12.48410 
1 1 1 -7  25  14 o 163.756 4.5679  3264.10    181.500  3328.77    255.694  3198.42    257.677  165.111 6.3824  161.816 6.5628  3.294830       9.154526 
1 1 1 -7  25  15 o 105.913 4.1127  1365.09    105.691  1349.97    148.468  1380.62    150.492  105.001 5.8507  106.187 5.8636  -1.186630      8.283227 
1 1 1 -7  25  16 f 129.663 4.2366  2047.31    133.290  2094.38    187.714  1999.44    189.296  130.915 5.9094  127.883 6.1005  3.031914       8.493328 
1 1 1 -7  25  17 o 22.480  6.9985  61.643     42.257   93.179     54.836   15.533     66.306   27.218  7.8623  20.224  8.3434  6.993525       11.46423 
1 1 1 -7  25  18 o 101.103 4.1736  1245.99    102.386  1186.98    141.963  1309.96    147.806  98.259  5.9829  103.254 5.9244  -4.995132      8.419834 
1 1 1 -7  25  19 o 72.840  4.2308  649.388    74.453   699.638    102.860  594.089    107.905  75.360  5.6668  69.234  6.4994  6.125778       8.622910 
1 1 1 -7  25  20 o 59.350  4.5445  432.880    64.947   482.053    91.556   383.069    92.146   62.340  6.1321  55.299  7.0260  7.040581       9.325666 
1 1 1 -7  25  21 o 109.567 5.9396  1480.43    157.317  1480.43    157.317  0.0000     0.0000   109.567 5.9396  ?       ?       0.000000       5.939591 
1 1 1 -7  25  22 o 101.783 5.9178  1279.58    145.520  1279.58    145.520  0.0000     0.0000   101.783 5.9178  ?       ?       0.000000       5.917828 
1 1 1 -7  25  23 o 27.944  6.5459  100.360    43.605   83.559     64.325   114.645    59.314   26.296  8.6802  29.797  8.0248  -3.500629      11.82129 
1 1 1 -7  25  24 o 54.430  4.5959  365.598    60.130   317.441    85.390   412.965    84.687   50.045  7.2427  57.506  6.1655  -7.461540      9.511522 
1 1 1 -7  25  25 o 82.210  4.2497  829.544    84.481   861.973    118.742  796.303    120.221  83.363  5.9087  80.006  6.2423  3.356216       8.595283 
1 1 1 -7  25  26 o 67.090  6.2349  561.713    100.335  483.839    115.710  797.732    201.441  61.690  7.9126  78.058  10.936  -16.36823      13.49816 
1 1 1 -7  25  27 o 108.065 6.2399  1452.05    162.920  1641.11    196.722  1039.26    290.686  114.497 7.1162  86.983  14.268  27.51340       15.94391 
1 1 1 -7  25  28 f 36.479  8.2626  174.220    71.438   173.354    78.677   178.289    170.501  36.245  8.9898  38.373  14.037  -2.127861      16.66889 
1 1 1 -7  25  29 f 82.971  6.2297  860.742    124.503  0.0000     0.0000   860.742    124.503  ?       ?       82.971  6.2297  0.000000       6.229711 
1 1 1 -7  25  30 o 80.234  6.6853  810.912    128.966  0.0000     0.0000   810.912    128.966  ?       ?       80.234  6.6853  0.000000       6.685330 
1 1 1 -7  25  31 o 66.340  5.0931  547.718    81.356   637.139    118.537  468.082    111.863  70.829  6.9884  60.259  7.8361  10.56949       10.49963 
1 1 1 -7  25  32 o 53.894  7.4202  374.610    94.460   401.710    218.040  368.349    104.806  51.386  15.881  52.993  8.4336  -1.606468      17.98124 
1 1 1 -7  25  33 o 25.343  8.7443  78.212     65.280   51.983     192.602  81.617     69.387   32.014  13.761  25.919  9.0111  6.095165       16.44849 
1 1 1 -7  25  34 o 36.468  8.6827  179.426    75.726   2.3729     216.890  204.005    80.811   31.405  14.010  38.891  8.7725  -7.486212      16.52948 
1 1 1 -7  25  35 o 49.683  5.8892  313.819    69.612   394.768    104.279  248.747    93.494   54.785  8.0878  42.758  9.2783  12.02728       12.30851 
1 1 1 -7  25  36 o 15.600  6.7556  -2.6126    47.115   95.459     82.909   -49.3884   57.259   27.801  9.8362  14.309  6.6814  13.49197       11.89088 
1 1 1 -7  25  37 o 32.102  7.2259  136.365    54.927   88.592     88.015   166.839    70.295   27.468  10.080  35.205  8.3546  -7.737215      13.09191 
1 1 1 -7  25  38 o 74.162  5.1242  688.083    91.644   657.467    130.337  718.021    128.885  71.179  7.6676  74.694  7.2005  -3.514793      10.51854 
1 1 1 -7  25  39 o 30.949  7.4180  127.469    54.980   129.686    82.293   125.680    73.892   31.031  9.7833  30.537  9.2077  0.4947872      13.43486 
1 1 1 -7  25  40 o 24.506  8.7450  71.777     65.668   22.018     79.795   176.202    115.595  21.569  9.0452  35.414  11.634  -13.84480      14.73627 
1 1 1 -7  26  1  o 82.729  3.7316  831.487    74.906   863.494    105.267  798.657    106.613  84.094  5.1843  80.832  5.4679  3.261780       7.534933 
1 1 1 -7  26  2  o 142.247 4.1916  2459.17    144.673  2373.84    202.486  2548.15    206.780  139.630 5.9766  144.673 5.8905  -5.042999      8.391532 
1 1 1 -7  26  3  o 204.730 5.0393  5098.19    250.332  4965.41    351.707  5234.52    356.385  201.778 7.1836  207.188 7.0891  -5.409882      10.09255 
1 1 1 -7  26  4  o 263.626 5.9960  8462.90    383.543  8377.71    539.885  8549.70    544.973  261.808 8.4987  264.483 8.4921  -2.675293      12.01430 
1 1 1 -7  26  5  o 114.971 3.9980  1606.36    111.532  1574.49    156.339  1639.39    159.157  113.729 5.6654  116.050 5.6522  -2.321213      8.002769 
1 1 1 -7  26  6  o 59.140  5.4344  429.228    77.109   482.035    156.107  412.186    88.683   61.777  10.808  57.807  6.4316  3.970364       12.57683 
1 1 1 -7  26  7  o 174.097 6.5570  3694.77    276.986  3623.57    418.003  3750.51    369.838  171.569 10.085  175.088 8.7055  -3.519379      13.32290 
1 1 1 -7  26  8  o 53.584  6.4916  355.088    82.679   274.367    145.811  393.340    100.375  46.373  12.621  56.263  7.5423  -9.890907      14.70306 
1 1 1 -7  26  9  o 61.071  6.3650  459.573    92.932   1057.33    167.133  192.046    111.811  92.742  7.4910  39.036  11.213  53.70611       13.48477 
1 1 1 -7  26  10 o 72.672  5.8788  647.745    102.774  442.867    175.049  755.518    126.960  58.729  12.657  78.399  6.7396  -19.67029      14.33972 
1 1 1 -7  26  11 o 192.614 6.9807  4531.80    326.252  4451.28    489.920  4595.96    437.325  189.745 10.685  193.460 9.3165  -3.714355      14.17600 
1 1 1 -7  26  12 o 119.187 4.1641  1728.04    120.424  1736.91    168.760  1718.84    171.894  119.340 5.8280  118.551 5.9952  0.7890778      8.361122 
1 1 1 -7  26  13 o 83.176  4.0762  841.733    82.266   795.130    114.765  890.989    117.985  80.499  5.9171  85.266  5.7362  -4.766121      8.241101 
1 1 1 -7  26  14 o 201.062 5.0751  4929.46    247.592  4921.14    349.235  4937.86    351.069  200.384 7.1828  200.717 7.2085  -0.3327026     10.17617 
1 1 1 -7  26  15 f 128.948 4.2149  2025.34    131.876  2024.40    185.997  2026.29    187.010  128.662 5.9579  128.717 5.9878  -0.5520630E-01 8.446876 
1 1 1 -7  26  16 o 68.812  4.1636  579.101    69.191   558.178    96.426   601.308    99.340   67.264  5.9701  69.844  5.9174  -2.579796      8.405831 
1 1 1 -7  26  17 o 102.411 4.1171  1278.71    102.307  1263.28    143.753  1294.55    145.633  101.369 5.8696  102.619 5.8732  -1.250053      8.303439 
1 1 1 -7  26  18 o 26.719  7.1870  91.081     47.611   52.428     62.942   142.781    72.793   23.031  8.5117  33.292  8.8566  -10.26087      12.28373 
1 1 1 -7  26  19 o 156.792 4.5641  3005.39    173.637  3079.76    244.029  2929.11    247.120  158.154 6.3591  154.148 6.6070  4.006485       9.170136 
1 1 1 -7  26  20 o 74.764  6.0366  692.458    108.576  692.458    108.576  0.0000     0.0000   74.764  6.0366  ?       ?       0.000000       6.036620 
1 1 1 -7  26  21 o 23.851  8.3350  64.127     59.403   64.127     59.403   0.0000     0.0000   23.851  8.3350  ?       ?       0.000000       8.334994 
1 1 1 -7  26  22 o 50.997  4.6693  321.376    57.137   284.612    82.057   355.977    79.607   47.304  7.3908  53.326  6.2724  -6.021046      9.693631 
1 1 1 -7  26  23 o 26.930  6.5715  93.390     42.561   89.816     59.782   97.063     60.607   26.756  8.3232  27.645  8.3398  -0.8885975     11.78252 
1 1 1 -7  26  24 o 58.318  4.5838  419.611    64.340   460.460    91.262   379.245    90.721   60.679  6.2899  54.812  6.9797  5.867058       9.395708 
1 1 1 -7  26  25 o 63.238  6.3934  500.677    96.754   485.453    111.071  548.576    197.014  61.885  7.5537  63.325  13.248  -1.440460      15.24991 
1 1 1 -7  26  26 o 95.075  6.0683  1124.28    139.259  1163.09    166.152  1032.63    255.309  96.249  7.1659  87.857  12.315  8.392296       14.24792 
1 1 1 -7  26  27 o 82.807  6.0127  854.737    119.985  789.819    141.615  1019.91    225.885  79.008  7.4759  88.038  10.801  -9.029808      13.13576 
1 1 1 -7  26  28 o 109.034 5.5705  1476.16    146.880  1532.79    302.194  1458.64    168.068  106.976 11.841  107.966 6.4449  -0.9898071     13.48110 
1 1 1 -7  26  29 o 80.801  6.5817  822.327    127.918  0.0000     0.0000   822.327    127.918  ?       ?       80.801  6.5817  0.000000       6.581691 
1 1 1 -7  26  30 o 38.516  6.8137  191.620    61.348   270.143    96.261   137.915    79.609   45.009  9.1266  32.190  9.5238  12.81915       13.19082 
1 1 1 -7  26  31 o 84.275  6.0134  892.969    122.158  652.217    274.760  952.283    136.378  64.145  17.270  86.776  6.5249  -22.63071      18.46142 
1 1 1 -7  26  32 o 43.742  8.0713  252.812    82.509   18.001     218.624  291.811    89.098   32.136  14.215  47.060  8.0947  -14.92365      16.35823 
1 1 1 -7  26  33 o 91.814  6.8030  1075.40    150.478  1163.51    299.505  1045.65    174.039  88.598  14.429  89.634  8.0893  -1.036087      16.54154 
1 1 1 -7  26  34 o 30.362  7.5696  122.924    55.571   135.315    91.525   115.688    69.938   31.726  10.348  29.421  8.9775  2.305840       13.69982 
1 1 1 -7  26  35 o 20.653  7.6323  45.598     50.605   40.392     84.948   48.462     63.006   23.420  9.5270  22.078  8.4379  1.342016       12.72643 
1 1 1 -7  26  36 o 58.655  5.5801  434.533    78.460   476.467    113.459  396.102    108.618  60.283  7.9507  54.620  8.4700  5.663181       11.61701 
1 1 1 -7  26  37 o 88.239  4.9480  971.678    105.511  947.255    148.516  996.567    149.924  85.806  7.1999  88.111  7.0722  -2.304749      10.09228 
1 1 1 -7  26  38 o 27.868  7.9258  103.543    56.140   106.295    87.294   101.601    73.311   28.891  10.104  27.948  9.2687  0.9437943      13.71101 
1 1 1 -7  26  39 o 25.054  8.6791  78.038     64.342   117.077    77.879   -5.9117    114.204  29.553  9.5387  23.331  10.299  6.222382       14.03796 
1 1 1 -7  27  1  o 164.905 4.5946  3306.47    183.841  3398.55    257.349  3210.51    262.714  167.016 6.3504  162.295 6.6714  4.721664       9.210570 
1 1 1 -7  27  2  o 294.912 6.4594  10598.67   462.222  10509.09   651.112  10689.67   656.281  293.008 9.1583  295.516 9.1526  -2.508270      12.94774 
1 1 1 -7  27  3  o 400.000 8.2969  19556.54   805.270  19611.33   1135.94  19501.19   1141.73  399.081 11.731  397.911 11.825  1.169617       16.65688 
1 1 1 -7  27  4  o 225.456 7.5679  6206.02    413.999  6157.64    607.888  6247.87    565.386  223.452 11.248  225.600 10.329  -2.147781      15.27068 
1 1 1 -7  27  5  o 160.835 6.3056  3152.58    246.078  3259.14    369.293  3067.49    330.022  162.820 9.3873  158.107 8.6352  4.713287       12.75497 
1 1 1 -7  27  6  o 188.312 6.8302  4326.00    312.085  4283.90    466.668  4360.07    419.760  186.451 10.356  188.636 9.1709  -2.184265      13.83303 
1 1 1 -7  27  7  o 162.445 6.3831  3217.67    251.597  3092.40    381.462  3314.12    334.726  158.376 9.9775  164.346 8.4222  -5.970093      13.05699 
1 1 1 -7  27  8  f 95.724  5.7490  1120.46    132.911  1081.19    213.435  1145.33    169.867  93.375  9.5551  96.555  7.3046  -3.179886      12.02735 
1 1 1 -7  27  9  o 55.554  6.4964  381.694    85.916   303.766    157.509  414.702    102.509  48.625  13.069  57.767  7.4897  -9.142330      15.06314 
1 1 1 -7  27  10 f 158.780 4.4883  3068.05    172.920  3061.90    243.869  3074.26    245.227  158.378 6.3460  158.694 6.3686  -0.3160248     8.990578 
1 1 1 -7  27  11 o 114.872 4.0887  1605.43    113.963  1520.01    160.650  1691.97    161.690  111.441 5.9628  117.776 5.6580  -6.334793      8.219960 
1 1 1 -7  27  12 o 243.941 5.7290  7264.70    339.099  7324.00    478.222  7204.74    480.906  244.186 8.0713  242.147 8.1850  2.038467       11.49521 
1 1 1 -7  27  13 o 67.857  4.2598  563.010    69.781   588.362    95.683   534.206    101.989  69.158  5.7543  65.749  6.4770  3.408340       8.663888 
1 1 1 -7  27  14 o 83.635  4.1091  852.144    83.387   924.865    116.782  776.500    119.107  86.806  5.5740  79.386  6.2335  7.419342       8.362186 
1 1 1 -7  27  15 o 31.846  6.3155  128.673    47.078   126.025    64.108   131.773    69.357   31.371  8.2953  32.086  8.6928  -0.7147408     12.01567 
1 1 1 -7  27  16 o 179.960 4.7989  3957.53    209.548  3972.83    295.398  3942.03    297.301  179.665 6.7761  178.940 6.8474  0.7247925      9.633389 
1 1 1 -7  27  17 o 95.635  4.4656  1117.42    103.623  1007.54    160.981  1195.15    135.405  89.965  7.4414  98.533  5.6878  -8.568123      9.366172 
1 1 1 -7  27  18 o 73.518  4.2996  662.679    76.364   647.589    104.212  680.179    112.222  72.315  5.9931  74.045  6.3063  -1.730080      8.699798 
1 1 1 -7  27  19 o 99.761  5.9596  1230.03    143.599  1230.03    143.599  0.0000     0.0000   99.761  5.9596  ?       ?       0.000000       5.959589 
1 1 1 -7  27  20 o 85.983  5.9514  915.856    123.399  915.856    123.399  0.0000     0.0000   85.983  5.9514  ?       ?       0.000000       5.951362 
1 1 1 -7  27  21 o 53.131  4.8004  349.129    61.217   352.838    84.756   345.083    88.515   52.934  6.7528  52.219  7.1755  0.7145348      9.853325 
1 1 1 -7  27  22 o 132.010 4.4159  2135.76    141.446  2233.94    198.526  2034.54    201.580  134.402 6.0876  127.933 6.5154  6.468964       8.916828 
1 1 1 -7  27  23 o 64.608  6.3277  521.999    97.923   565.624    113.994  399.173    191.277  67.020  7.1189  53.456  14.417  13.56388       16.07841 
1 1 1 -7  27  24 o 78.906  5.9580  774.693    113.230  647.915    133.107  1106.65    215.386  71.473  7.8020  92.622  9.7292  -21.14851      12.47113 
1 1 1 -7  27  25 o 24.456  8.4383  69.947     60.791   95.283     66.731   -53.6624   147.396  27.559  8.8228  25.190  11.367  2.368233       14.38948 
1 1 1 -7  27  26 o 72.704  4.7204  653.154    82.821   687.827    125.372  626.307    110.320  73.798  7.0888  70.611  6.5124  3.186668       9.626138 
1 1 1 -7  27  27 o 34.390  7.5762  154.646    61.513   183.839    111.102  141.742    73.868   36.984  11.321  32.718  9.0159  4.266060       14.47212 
1 1 1 -7  27  28 o 61.225  7.1184  478.024    103.773  0.0000     0.0000   478.024    103.773  ?       ?       61.225  7.1184  0.000000       7.118364 
1 1 1 -7  27  29 o 40.723  6.2900  212.184    60.149   193.311    99.225   223.148    75.629   37.593  10.483  41.242  7.8442  -3.649342      13.09313 
1 1 1 -7  27  30 o 36.247  8.7485  176.656    76.065   135.435    209.444  182.919    81.639   36.442  14.907  36.763  9.1799  -0.3219070     17.50675 
1 1 1 -7  27  31 o 15.130  6.7698  -18.0854   51.059   -125.8258  179.691  -8.6224    53.254   24.951  11.710  16.139  7.0819  8.812078       13.68483 
1 1 1 -7  27  32 o 48.689  7.7534  311.615    88.526   86.925     216.242  356.854    97.030   34.182  14.633  52.081  7.9285  -17.89930      16.64310 
1 1 1 -7  27  33 o 101.527 4.8817  1282.77    120.258  1395.53    170.510  1171.17    169.635  104.514 6.7599  95.238  7.3989  9.276405       10.02198 
1 1 1 -7  27  34 o 52.260  5.8970  347.730    73.469   345.402    109.470  349.638    99.102   50.431  9.2883  51.313  8.2384  -0.8812447     12.41546 
1 1 1 -7  27  35 o 60.408  5.4416  460.256    78.904   381.010    114.855  531.085    108.585  53.054  9.2589  64.105  7.1002  -11.05096      11.66787 
1 1 1 -7  27  36 o 39.021  6.8890  199.048    62.840   192.319    96.245   204.049    82.966   37.085  10.319  38.662  9.0106  -1.577118      13.69906 
1 1 1 -7  27  37 o 47.289  6.3523  287.835    71.045   456.553    104.070  140.578    97.226   59.181  7.4098  32.182  10.674  26.99871       12.99380 
1 1 1 -7  27  38 o 17.038  7.6157  -18.5670   64.435   -101.4306  79.814   136.523    109.191  15.404  7.3913  31.957  11.290  -16.55322      13.49435 
1 1 1 -7  27  39 o 14.388  6.6886  -43.2640   56.385   -9.7235    66.835   -126.0813  105.021  17.843  7.8778  17.617  8.4598  0.2265339      11.55974 
1 1 1 -7  28  1  o 310.285 9.5873  11801.83   721.808  11240.97   1040.02  12323.05   1002.59  300.960 14.242  315.662 13.090  -14.70285      19.34370 
1 1 1 -7  28  2  o 233.858 7.7964  6681.54    442.397  6283.30    645.806  7033.66    607.259  225.460 11.847  239.275 10.460  -13.81502      15.80329 
1 1 1 -7  28  3  o 279.007 8.7324  9529.55    591.169  9748.22    857.347  9331.35    816.245  280.839 12.582  274.905 12.237  5.933563       17.55107 
1 1 1 -7  28  4  o 348.178 10.473  14905.36   884.824  14995.66   1274.23  14821.27   1229.62  346.729 15.146  344.987 14.689  1.741577       21.09919 
1 1 1 -7  28  5  o 201.317 7.1349  4948.95    348.525  4788.17    517.369  5082.52    471.583  196.895 10.871  203.496 9.5508  -6.601028      14.47089 
1 1 1 -7  28  6  o 39.083  8.3061  194.025    76.339   -113.6200  138.153  329.245    91.592   22.796  10.553  51.358  7.5776  -28.56210      12.99162 
1 1 1 -7  28  7  o 71.729  5.9818  631.691    103.160  592.889    176.937  651.673    126.974  68.498  11.019  72.657  7.3012  -4.158913      13.21877 
1 1 1 -7  28  8  o 83.823  4.0355  854.579    82.077   796.950    115.621  913.122    116.534  80.613  5.9532  86.370  5.5907  -5.756912      8.166777 
1 1 1 -7  28  9  o 90.741  3.9919  1001.62    87.891   1011.51    123.335  991.419    125.282  90.897  5.6196  89.964  5.7697  0.9325104      8.054137 
1 1 1 -7  28  10 o 207.933 5.0694  5270.73    255.764  5480.53    360.917  5059.10    362.498  211.562 7.0308  203.177 7.3530  8.384476       10.17348 
1 1 1 -7  28  11 o 234.999 5.5604  6743.77    317.056  6697.45    447.024  6790.66    449.758  233.421 7.8927  235.042 7.8862  -1.621048      11.15742 
1 1 1 -7  28  12 o 125.201 4.1915  1909.73    127.333  2011.81    178.946  1805.04    181.228  128.267 5.7497  121.271 6.1794  6.996605       8.440602 
1 1 1 -7  28  13 o 145.136 4.3852  2568.84    154.428  2505.91    217.124  2633.26    219.686  142.965 6.2591  146.572 6.1771  -3.607697      8.793953 
1 1 1 -7  28  14 o 209.085 5.2176  5347.66    264.703  5298.47    372.609  5397.78    376.108  207.257 7.4093  209.190 7.4098  -1.933151      10.47872 
1 1 1 -7  28  15 o 262.947 6.0609  8493.43    386.694  8607.68    545.319  8377.86    548.430  263.107 8.5419  259.444 8.7119  3.662842       12.20086 
1 1 1 -7  28  16 o 57.074  4.4439  400.507    61.056   413.281    84.588   386.613    88.219   57.642  6.1426  55.605  6.6717  2.036293       9.068830 
1 1 1 -7  28  17 o 45.607  4.9843  257.903    54.259   164.969    75.923   354.919    77.573   35.615  8.8297  53.342  6.1032  -17.72773      10.73372 
1 1 1 -7  28  18 o 200.362 7.4196  4992.85    360.711  4992.85    360.711  0.0000     0.0000   200.362 7.4196  ?       ?       0.000000       7.419585 
1 1 1 -7  28  19 o 89.410  5.8700  990.275    126.639  990.275    126.639  0.0000     0.0000   89.410  5.8700  ?       ?       0.000000       5.870007 
1 1 1 -7  28  20 f 146.803 4.5219  2642.47    161.072  2645.04    225.592  2639.79    230.052  146.120 6.3628  145.911 6.4979  0.2096558      9.094424 
1 1 1 -7  28  21 o 107.783 4.2895  1423.54    112.181  1412.78    156.540  1434.90    160.844  106.683 6.0725  107.468 6.1945  -0.7854309     8.674465 
1 1 1 -7  28  22 o 92.724  6.0192  1068.62    134.690  1011.60    160.070  1206.90    249.270  89.648  7.4256  96.085  10.884  -6.436546      13.17557 
1 1 1 -7  28  23 o 72.294  6.1975  652.920    107.662  623.088    126.173  732.811    206.475  70.132  7.5326  73.969  11.908  -3.837120      14.09067 
1 1 1 -7  28  24 o 98.589  6.0354  1210.49    143.683  1129.89    172.772  1391.24    258.734  94.528  7.5968  103.150 10.483  -8.621964      12.94646 
1 1 1 -7  28  25 o 112.106 4.4080  1544.81    119.903  1444.83    167.365  1650.23    171.862  107.447 6.4494  114.994 6.1821  -7.547157      8.933830 
1 1 1 -7  28  26 o 46.179  5.7344  268.718    62.871   209.219    101.569  305.676    80.050   39.262  10.470  48.901  6.9413  -9.638866      12.56174 
1 1 1 -7  28  27 o 79.811  6.6007  804.689    126.678  0.0000     0.0000   804.689    126.678  ?       ?       79.811  6.6007  0.000000       6.600745 
1 1 1 -7  28  28 o 19.170  7.0250  38.641     42.732   -80.7117   96.975   67.400     47.602   18.535  8.6679  23.185  7.4549  -4.649609      11.43272 
1 1 1 -7  28  29 o 14.019  6.3629  -24.4385   46.976   -222.8445  171.733  -8.3921    48.839   21.945  10.607  15.465  6.7841  6.479868       12.59075 
1 1 1 -7  28  30 o 15.740  6.5253  10.384     40.841   -355.8956  175.474  31.362     41.994   19.639  9.7366  18.157  6.9008  1.482506       11.93405 
1 1 1 -7  28  31 o 45.892  7.6365  277.387    82.046   30.402     211.417  321.179    89.024   31.723  14.008  49.435  7.6703  -17.71178      15.97075 
1 1 1 -7  28  32 o 47.727  6.0354  291.526    68.331   395.271    104.544  214.150    90.285   54.633  8.1345  39.344  9.5530  15.28859       12.54716 
1 1 1 -7  28  33 o 27.506  7.8489  100.973    54.962   4.0683     89.201   160.279    69.782   21.429  9.2876  34.357  8.4333  -12.92749      12.54511 
1 1 1 -7  28  34 f 15.096  6.7289  -15.1136   49.934   63.525     89.577   -50.5664   60.145   25.426  9.9678  14.677  6.8514  10.74842       12.09542 
1 1 1 -7  28  35 o 25.172  7.9354  82.422     54.141   55.838     87.657   98.819     68.842   24.710  9.8053  27.483  8.9754  -2.772932      13.29292 
1 1 1 -7  28  36 o 35.617  8.6402  173.124    73.907   138.202    93.146   232.472    121.428  31.841  10.442  40.014  11.741  -8.172758      15.71253 
1 1 1 -7  28  37 o 49.224  6.9502  316.342    80.703   286.452    102.486  365.131    130.934  45.416  9.6005  50.507  10.996  -5.090961      14.59732 
1 1 1 -7  28  38 o 20.801  8.5235  29.832     68.619   3.9452     86.582   73.552     112.521  20.944  9.1137  27.315  11.017  -6.371330      14.29788 
1 1 1 -7  29  1  o 108.639 5.7785  1441.83    151.776  1326.72    231.775  1528.25    200.824  103.613 9.3188  111.607 7.4588  -7.994362      11.93628 
1 1 1 -7  29  2  o 221.151 7.4613  5975.79    400.377  6064.92    586.571  5898.05    547.847  221.908 10.894  219.005 10.310  2.903000       14.99885 
1 1 1 -7  29  3  o 81.968  5.8134  822.838    114.871  889.223    184.094  780.511    147.000  84.676  9.1032  79.530  7.7147  5.145737       11.93249 
1 1 1 -7  29  4  o 107.527 5.8261  1413.43    151.439  1108.29    236.013  1626.99    197.445  94.303  10.492  115.186 7.0991  -20.88341      12.66834 
1 1 1 -7  29  5  o 42.064  5.2769  218.884    52.673   195.394    72.010   245.917    77.248   39.275  7.8310  44.249  7.4601  -4.973946      10.81558 
1 1 1 -7  29  6  o 141.560 4.3104  2438.30    148.054  2425.90    207.052  2451.27    211.787  141.000 6.0520  141.720 6.1589  -0.7208099     8.634731 
1 1 1 -7  29  7  o 38.652  5.4077  185.648    49.328   253.107    66.441   102.797    73.631   45.107  6.2374  29.144  9.2612  15.96297       11.16582 
1 1 1 -7  29  8  o 129.040 4.3357  2027.30    135.752  1908.17    190.743  2149.58    193.246  124.787 6.3203  132.660 6.0035  -7.873032      8.717112 
1 1 1 -7  29  9  o 47.900  4.6520  282.235    53.386   289.332    73.401   274.264    77.787   48.210  6.4356  46.792  7.0719  1.417912       9.561842 
1 1 1 -7  29  10 o 129.463 4.2249  2041.99    132.718  1963.00    187.186  2121.83    188.201  126.647 6.0914  131.709 5.8890  -5.061371      8.472610 
1 1 1 -7  29  11 o 52.154  4.5160  334.230    56.584   385.619    79.600   281.736    80.452   55.806  5.9712  47.342  7.2332  8.463467       9.379475 
1 1 1 -7  29  12 o 137.293 4.3151  2299.51    143.750  2219.04    202.322  2381.54    204.278  134.475 6.2007  139.352 6.0415  -4.876953      8.657264 
1 1 1 -7  29  13 o 82.992  4.0402  840.160    81.358   811.363    115.062  868.951    115.052  81.106  5.8869  83.995  5.6785  -2.889679      8.179296 
1 1 1 -7  29  14 o 90.943  4.0914  1009.63    90.283   975.143    127.117  1044.74    128.249  88.886  5.9279  92.056  5.7708  -3.170433      8.273009 
1 1 1 -7  29  15 o 115.801 4.2445  1638.91    119.263  1738.26    167.075  1535.69    170.300  118.885 5.7919  111.428 6.3248  7.456795       8.576091 
1 1 1 -7  29  16 o 38.528  5.4707  185.980    49.706   196.338    70.763   175.892    69.836   39.067  7.7387  36.871  8.0333  2.196384       11.15442 
1 1 1 -7  29  17 o 138.792 6.1831  2380.40    208.226  2380.40    208.226  0.0000     0.0000   138.792 6.1831  ?       ?       0.000000       6.183136 
1 1 1 -7  29  18 o 111.829 6.0964  1550.79    164.797  1550.79    164.797  0.0000     0.0000   111.829 6.0964  ?       ?       0.000000       6.096369 
1 1 1 -7  29  19 o 72.005  4.3915  637.935    76.358   604.264    105.589  674.848    110.555  69.549  6.3262  73.550  6.2542  -4.001778      8.895778 
1 1 1 -7  29  20 f 14.210  6.4997  -32.3769   50.236   -19.4819   52.938   -149.1223  159.286  15.501  6.9177  23.215  10.936  -7.713677      12.94003 
1 1 1 -7  29  21 o 23.105  8.5540  54.696     63.623   44.561     68.301   121.168    174.915  22.605  8.7475  35.321  13.903  -12.71569      16.42599 
1 1 1 -7  29  22 o 139.452 6.3836  2419.12    216.000  2296.80    270.365  2634.96    359.140  134.498 8.3255  142.288 10.476  -7.790085      13.38135 
1 1 1 -7  29  23 o 142.142 6.5062  2519.89    224.397  2452.18    279.567  2642.50    376.229  138.796 8.3400  141.662 11.032  -2.866608      13.83005 
1 1 1 -7  29  24 o 45.047  6.0440  256.698    64.396   278.958    91.525   234.874    90.622   46.155  8.4852  42.042  9.1439  4.112770       12.47439 
1 1 1 -7  29  25 o 90.747  4.7225  1018.93    103.625  985.159    145.398  1053.80    147.725  88.290  6.8405  91.399  6.7080  -3.109001      9.580711 
1 1 1 -7  29  26 o 19.003  8.0753  6.9827     64.980   0.0000     0.0000   6.9827     64.980   ?       ?       19.003  8.0753  0.000000       8.075321 
1 1 1 -7  29  27 f 47.347  6.6217  287.585    73.991   271.836    120.214  297.189    93.880   44.061  11.216  47.375  8.4782  -3.314220      14.05951 
1 1 1 -7  29  28 o 30.812  9.1827  127.472    73.808   -30.0208   200.224  152.239    79.399   29.296  13.232  33.453  9.3950  -4.156796      16.22785 
1 1 1 -7  29  29 f 42.188  9.0264  241.793    89.605   120.888    204.386  270.561    99.697   34.999  14.561  44.439  9.5319  -9.439926      17.40306 
1 1 1 -7  29  30 o 65.816  5.6412  547.817    89.217   628.557    123.149  458.633    129.428  69.546  7.4121  58.071  9.5151  11.47472       12.06136 
1 1 1 -7  29  31 o 24.301  8.0391  75.160     55.163   -63.8460   87.438   167.066    71.098   17.845  8.3069  35.043  8.4581  -17.19809      11.85514 
1 1 1 -7  29  32 o 13.815  6.3857  -36.1883   50.312   -84.4425   81.242   -6.1698    64.077   16.225  7.6925  17.782  7.7865  -1.557817      10.94555 
1 1 1 -7  29  33 o 19.277  7.8251  25.147     57.163   16.378     92.119   30.638     72.895   22.421  9.5735  21.451  8.7867  0.9707165      12.99457 
1 1 1 -7  29  34 o 19.833  7.8716  32.125     56.503   79.298     91.509   3.0582     71.832   26.724  10.180  19.384  8.3679  7.340092       13.17757 
1 1 1 -7  29  35 o 64.196  6.0155  525.554    92.607   457.162    117.772  636.347    149.897  58.422  8.5622  68.574  9.2444  -10.15248      12.60041 
1 1 1 -7  29  36 o 25.552  9.0212  81.422     69.702   128.279    84.838   -15.8979   122.266  30.610  9.9622  23.443  10.484  7.166969       14.46200 
1 1 1 -7  29  37 o 46.827  7.4393  291.851    81.700   258.960    101.361  352.852    138.037  42.628  9.9763  48.593  11.820  -5.965111      15.46768 
1 1 1 -7  30  1  o 218.514 7.5036  5838.48    397.844  5470.81    583.171  6158.57    544.130  210.128 11.481  223.740 10.023  -13.61124      15.24079 
1 1 1 -7  30  2  o 156.243 6.3747  2979.25    241.670  2679.02    363.539  3216.99    323.500  147.136 10.247  161.828 8.2662  -14.69179      13.16537 
1 1 1 -7  30  3  o 363.226 7.7657  16154.88   684.420  15632.60   964.542  16684.53   971.325  355.555 11.180  367.499 10.893  -11.94431      15.60940 
1 1 1 -7  30  4  o 94.232  4.0394  1080.17    92.358   1069.55    128.584  1091.48    132.743  93.474  5.6965  94.412  5.8230  -0.9381638     8.146025 
1 1 1 -7  30  5  o 148.475 4.4623  2683.88    160.759  2313.05    224.816  3071.91    229.967  137.529 6.7371  158.626 5.9749  -21.09702      9.004841 
1 1 1 -7  30  6  o 83.286  4.0877  844.265    82.607   803.846    115.437  886.685    118.261  80.914  5.9209  85.026  5.7663  -4.112480      8.264827 
1 1 1 -7  30  7  o 56.559  4.4462  392.113    60.525   359.814    82.654   429.457    88.875   53.845  6.4550  58.917  6.3153  -5.072144      9.030524 
1 1 1 -7  30  8  o 164.886 4.6486  3315.34    185.982  3314.91    260.906  3315.77    265.184  164.465 6.5380  164.459 6.6455  0.6057739E-02  9.322456 
1 1 1 -7  30  9  o 24.789  6.9588  77.594     43.570   50.910     60.359   106.626    62.958   22.678  8.3433  29.067  8.4326  -6.388870      11.86250 
1 1 1 -7  30  10 o 175.353 4.7817  3755.72    203.453  3857.58    286.251  3651.74    289.225  177.156 6.6593  172.276 6.9190  4.880203       9.603068 
1 1 1 -7  30  11 o 63.361  4.2220  492.056    64.538   523.506    90.650   459.733    91.903   65.079  5.8015  60.845  6.3171  4.234638       8.576909 
1 1 1 -7  30  12 o 70.750  4.1627  613.203    71.146   641.399    99.074   583.180    102.231  72.063  5.7129  68.580  6.2109  3.482803       8.438776 
1 1 1 -7  30  13 o 113.055 4.1730  1561.58    114.474  1574.66    161.003  1548.21    162.793  112.988 5.8931  111.996 6.0126  0.9928436      8.419013 
1 1 1 -7  30  14 o 46.169  4.9583  264.320    54.675   284.799    76.261   242.659    78.430   47.514  6.8096  43.556  7.7029  3.957642       10.28127 
1 1 1 -7  30  15 o 103.968 4.1564  1322.31    104.853  1267.52    147.776  1377.86    148.799  101.156 6.0484  105.556 5.8323  -4.400162      8.402362 
1 1 1 -7  30  16 o 94.202  5.8561  1099.68    133.192  1099.68    133.192  0.0000     0.0000   94.202  5.8561  ?       ?       0.000000       5.856099 
1 1 1 -7  30  17 o 97.774  5.9170  1186.13    139.714  1186.13    139.714  0.0000     0.0000   97.774  5.9170  ?       ?       0.000000       5.917048 
1 1 1 -7  30  18 o 70.612  4.4361  614.076    75.619   591.068    103.645  640.263    110.573  68.757  6.2819  71.529  6.4400  -2.772507      8.996430 
1 1 1 -7  30  19 o 38.802  8.0540  196.090    73.345   172.167    79.995   322.297    183.739  36.105  9.1266  48.006  14.530  -11.90021      17.15820 
1 1 1 -7  30  20 o 44.685  7.8738  258.106    82.252   216.036    90.982   446.309    192.434  40.343  9.4588  56.249  14.121  -15.90672      16.99586 
1 1 1 -7  30  21 o 121.768 6.2974  1850.05    185.427  1787.56    226.947  1975.55    321.605  118.739 7.9226  122.535 10.932  -3.795799      13.50069 
1 1 1 -7  30  22 o 95.687  4.3295  1125.33    100.521  1105.93    138.944  1146.64    145.606  94.073  6.1204  95.710  6.3052  -1.637550      8.787162 
1 1 1 -7  30  23 o 72.157  4.8968  645.833    85.227   574.368    118.862  721.453    122.268  67.073  7.4283  75.568  6.7389  -8.495049      10.02956 
1 1 1 -7  30  24 o 69.991  5.0791  609.811    85.671   516.452    121.300  702.728    121.013  63.143  8.1042  74.453  6.7727  -11.31001      10.56159 
1 1 1 -7  30  25 o 62.901  7.4815  509.708    111.945  0.0000     0.0000   509.708    111.945  ?       ?       62.901  7.4815  0.000000       7.481477 
1 1 1 -7  30  26 o 62.967  8.4260  520.747    125.509  0.0000     0.0000   520.747    125.509  ?       ?       62.967  8.4260  0.000000       8.426030 
1 1 1 -7  30  27 o 21.401  8.7001  31.492     70.784   161.058    181.946  8.3849     76.837   36.196  14.201  20.417  8.7312  15.77902       16.67067 
1 1 1 -7  30  28 o 25.927  9.4024  79.850     76.261   208.389    189.757  55.090     83.283   38.657  14.675  24.319  9.5867  14.33751       17.52859 
1 1 1 -7  30  29 o 56.988  5.7169  412.618    77.985   393.707    114.588  428.934    106.439  53.892  9.0860  56.994  7.9100  -3.101212      12.04678 
1 1 1 -7  30  30 o 81.683  5.0783  837.452    100.151  904.081    142.845  773.032    140.456  83.574  7.1118  76.880  7.6302  6.693649       10.43058 
1 1 1 -7  30  31 o 17.521  7.4079  9.0349     54.232   -40.7609   84.754   43.558     70.570   18.502  8.4550  22.210  8.8026  -3.707479      12.20544 
1 1 1 -7  30  32 o 21.935  8.0252  54.195     55.734   122.167    89.436   11.040     71.263   30.231  10.240  19.823  8.4410  10.40776       13.27028 
1 1 1 -7  30  33 o 91.125  5.3332  1045.04    117.408  1105.26    154.415  962.513    180.760  92.603  6.9223  84.774  8.9216  7.828636       11.29219 
1 1 1 -7  30  34 o 31.720  9.3669  138.996    77.072   49.828     94.623   314.770    132.852  24.679  10.049  46.250  11.800  -21.57156      15.49890 
1 1 1 -7  30  35 o 33.266  9.1361  154.195    76.000   187.379    92.052   83.144     134.698  36.273  10.091  29.182  11.948  7.091511       15.63895 
1 1 1 -7  30  36 o 23.884  8.9379  65.736     69.830   159.995    82.829   -165.8866  129.840  33.550  9.6547  18.970  9.1823  14.58068       13.32396 
1 1 1 -7  31  1  o 178.824 4.7374  3893.80    205.554  3790.26    287.880  4001.50    293.599  176.103 6.7372  180.953 6.6869  -4.850616      9.492370 
1 1 1 -7  31  2  o 74.648  4.2047  680.243    75.848   690.715    104.645  668.651    110.095  75.017  5.7939  73.737  6.2112  1.279488       8.494066 
1 1 1 -7  31  3  o 148.204 4.4114  2674.35    158.638  2706.02    221.279  2640.85    227.547  148.831 6.1275  146.986 6.3802  1.845871       8.846045 
1 1 1 -7  31  4  o 50.128  4.8893  309.188    58.712   364.769    79.628   242.975    86.911   54.287  6.1539  43.715  8.4998  10.57214       10.49368 
1 1 1 -7  31  5  o 125.623 4.2011  1922.04    128.054  1826.06    179.222  2022.14    183.029  122.192 6.0448  128.616 5.8649  -6.423447      8.422417 
1 1 1 -7  31  6  o 30.642  6.4283  119.300    46.270   82.862     62.652   163.017    68.625   26.321  8.5608  35.680  8.1105  -9.359509      11.79266 
1 1 1 -7  31  7  o 106.379 4.0945  1379.12    105.686  1431.22    146.774  1323.02    152.304  108.012 5.6197  103.740 6.0771  4.272453       8.277249 
1 1 1 -7  31  8  o 100.059 4.0735  1220.67    98.898   1169.30    137.355  1275.98    142.513  97.510  5.8321  101.885 5.7886  -4.375366      8.217159 
1 1 1 -7  31  9  o 137.050 4.3259  2292.85    143.853  2297.72    201.033  2287.74    205.933  136.791 6.0568  136.449 6.2200  0.3418884      8.681787 
1 1 1 -7  31  10 o 123.882 4.7939  1877.53    144.100  2100.70    230.267  1733.88    184.746  130.122 7.3230  118.481 6.4506  11.64113       9.758920 
1 1 1 -7  31  11 o 30.216  6.2697  116.555    44.461   141.509    62.187   90.461     63.592   33.099  7.8602  27.081  8.6068  6.018276       11.65594 
1 1 1 -7  31  12 o 86.759  4.0953  919.952    86.211   951.937    120.879  886.839    122.991  87.774  5.7067  84.617  6.0297  3.156448       8.302082 
1 1 1 -7  31  13 o 146.933 4.4752  2644.40    159.549  2657.76    223.882  2630.61    227.434  146.623 6.2929  145.813 6.4283  0.8098450      8.995776 
1 1 1 -7  31  14 o 152.743 5.4598  2874.11    202.350  2895.68    237.709  2817.33    385.603  152.877 6.4082  147.641 10.840  5.235855       12.59218 
1 1 1 -7  31  15 o 113.774 6.0824  1606.74    167.303  1606.74    167.303  0.0000     0.0000   113.774 6.0824  ?       ?       0.000000       6.082365 
1 1 1 -7  31  16 f 86.979  5.8845  940.295    123.460  940.295    123.460  0.0000     0.0000   86.979  5.8845  ?       ?       0.000000       5.884502 
1 1 1 -7  31  17 f 37.226  7.8329  180.346    68.510   149.784    79.948   264.826    132.918  33.720  9.4123  44.056  12.075  -10.33548      15.31006 
1 1 1 -7  31  18 f 32.175  8.6894  135.990    69.431   118.843    76.316   218.369    167.274  30.377  9.3965  40.730  14.001  -10.35293      16.86156 
1 1 1 -7  31  19 o 59.045  6.7478  440.626    94.937   473.225    106.704  316.794    207.968  60.992  7.3588  47.341  15.607  13.65109       17.25467 
1 1 1 -7  31  20 o 146.293 6.6545  2675.86    236.212  2703.75    294.001  2625.06    396.737  145.610 8.3563  140.186 11.773  5.423721       14.43687 
1 1 1 -7  31  21 o 87.163  4.5690  938.333    96.296   946.088    138.830  931.142    133.681  86.676  6.6519  86.080  6.4472  0.5961761      9.263612 
1 1 1 -7  31  22 o 105.942 4.6130  1384.71    118.580  1359.37    163.434  1412.89    172.315  103.930 6.5138  105.827 6.7458  -1.896698      9.377361 
1 1 1 -7  31  23 o 54.162  5.6558  369.326    73.232   320.695    106.432  413.050    100.919  48.960  9.2991  56.555  7.5423  -7.594063      11.97333 
1 1 1 -7  31  24 o 39.473  9.3687  211.740    88.386   0.0000     0.0000   211.740    88.386   ?       ?       39.473  9.3687  0.000000       9.368714 
1 1 1 -7  31  25 o 35.035  10.059  169.032    90.009   0.0000     0.0000   169.032    90.009   ?       ?       35.035  10.059  0.000000       10.05936 
1 1 1 -7  31  26 f 61.937  7.4372  498.953    109.534  948.488    227.822  363.797    124.919  81.992  11.791  51.138  10.421  30.85388       15.73598 
1 1 1 -7  31  27 o 32.899  9.5974  149.454    81.350   64.898     205.185  165.224    88.612   32.400  14.064  34.424  10.009  -2.023846      17.26243 
1 1 1 -7  31  28 o 52.289  5.9733  349.943    74.426   406.201    109.633  301.856    101.360  55.030  8.4833  46.885  9.2384  8.145187       12.54251 
1 1 1 -7  31  29 o 77.103  5.1348  747.908    95.513   717.047    138.326  776.030    132.045  73.775  7.8478  77.304  7.1198  -3.528702      10.59621 
1 1 1 -7  31  30 o 96.116  4.9710  1158.32    115.536  1264.21    162.735  1050.71    164.058  99.042  6.8132  89.603  7.6182  9.439217       10.22037 
1 1 1 -7  31  31 o 63.130  5.5465  505.361    84.100   535.647    119.584  475.723    118.296  63.645  7.9146  59.627  8.4099  4.017460       11.54850 
1 1 1 -7  31  32 o 85.096  5.0786  909.700    104.384  911.195    145.592  908.119    149.737  83.716  7.2386  83.388  7.4801  0.3284836      10.40908 
1 1 1 -7  31  33 o 20.564  8.7685  13.410     77.088   20.556     91.640   -3.8840    142.563  22.484  9.5732  25.566  11.385  -3.081495      14.87477 
1 1 1 -7  31  34 o 39.736  8.6555  217.796    81.090   146.795    100.524  350.076    137.209  32.303  10.856  48.465  11.782  -16.16144      16.02128 
1 1 1 -7  32  1  o 66.218  4.3162  536.177    68.970   551.812    94.235   518.142    101.214  66.964  5.8587  64.759  6.5305  2.204964       8.773328 
1 1 1 -7  32  2  o 132.883 4.2535  2150.54    137.145  2053.23    191.195  2253.67    196.833  129.583 6.0809  135.779 5.9745  -6.196365      8.524759 
1 1 1 -7  32  3  o 40.871  5.2596  207.262    50.949   247.426    67.246   153.138    78.064   44.504  6.4124  34.579  9.1586  9.925247       11.18033 
1 1 1 -7  32  4  o 99.179  4.0672  1198.38    97.876   1142.58    135.456  1259.34    141.583  96.461  5.8145  101.293 5.7846  -4.831429      8.201890 
1 1 1 -7  32  5  o 108.579 4.1199  1437.08    108.543  1399.09    151.083  1477.61    156.044  106.722 5.8568  109.678 5.8851  -2.955963      8.302766 
1 1 1 -7  32  6  o 46.852  4.9147  271.165    55.040   268.847    75.569   273.783    80.324   46.243  6.9499  46.581  7.3506  -0.3384933     10.11594 
1 1 1 -7  32  7  o 105.315 4.1266  1353.34    105.450  1361.97    147.193  1344.24    151.143  105.206 5.7884  104.465 5.9878  0.7401276      8.328212 
1 1 1 -7  32  8  o 120.759 4.1519  1780.52    121.655  1727.44    169.391  1837.05    174.829  118.565 5.8880  122.268 5.8930  -3.702515      8.330481 
1 1 1 -7  32  9  o 84.982  4.5784  886.144    94.058   1064.98    146.613  761.056    122.617  92.662  6.5633  78.272  6.5154  14.39004       9.248139 
1 1 1 -7  32  10 o 93.573  4.1200  1070.29    93.543   1081.35    131.041  1058.79    133.574  93.540  5.8022  92.502  5.9833  1.037926       8.334629 
1 1 1 -7  32  11 o 56.981  4.4993  400.159    61.701   375.727    84.892   427.518    89.835   54.729  6.5211  58.447  6.4415  -3.718369      9.166104 
1 1 1 -7  32  12 o 63.980  4.3170  503.638    66.625   439.412    92.822   571.890    95.688   59.181  6.5752  67.811  5.8736  -8.630013      8.816582 
1 1 1 -7  32  13 o 46.111  6.3090  268.183    68.735   246.798    76.960   352.500    152.815  43.863  7.5006  50.810  12.485  -6.947159      14.56452 
1 1 1 -7  32  14 o 33.349  7.8874  145.176    62.823   145.176    62.823   0.0000     0.0000   33.349  7.8874  ?       ?       0.000000       7.887426 
1 1 1 -7  32  15 o 36.249  9.0054  173.615    78.854   173.615    78.854   0.0000     0.0000   36.249  9.0054  ?       ?       0.000000       9.005414 
1 1 1 -7  32  16 o 53.392  6.6298  360.442    84.041   312.182    98.021   494.358    163.283  48.979  8.5595  60.528  11.539  -11.54911      14.36704 
1 1 1 -7  32  17 o 71.564  6.0653  640.605    104.329  666.055    125.645  584.096    187.223  72.530  7.2360  65.434  12.242  7.096092       14.22071 
1 1 1 -7  32  18 o 28.701  9.0081  105.563    69.850   34.311     75.311   544.105    186.838  22.390  9.0192  62.702  12.716  -40.31158      15.58952 
1 1 1 -7  32  19 o 104.233 4.3342  1336.22    109.617  1216.42    152.671  1463.70    157.485  98.465  6.4254  108.259 6.0191  -9.794121      8.804230 
1 1 1 -7  32  20 o 72.614  4.7817  653.793    83.778   675.529    120.386  633.381    116.662  72.994  6.8783  70.655  6.8926  2.338310       9.737505 
1 1 1 -7  32  21 o 55.799  5.4647  390.664    73.037   445.052    107.166  343.488    99.807   58.685  7.7128  51.189  8.3214  7.495621       11.34611 
1 1 1 -7  32  22 o 49.657  5.8236  312.211    68.835   313.528    98.849   310.971    95.911   48.581  8.7055  48.490  8.4595  0.9149170E-01  12.13873 
1 1 1 -7  32  23 o 35.369  9.8492  171.770    87.650   0.0000     0.0000   171.770    87.650   ?       ?       35.369  9.8492  0.000000       9.849169 
1 1 1 -7  32  24 o 60.193  8.2709  478.213    117.606  0.0000     0.0000   478.213    117.606  ?       ?       60.193  8.2709  0.000000       8.270899 
1 1 1 -7  32  25 o 78.482  6.8695  792.516    129.497  1048.06    252.850  701.656    150.772  85.078  12.632  72.564  8.7389  12.51414       15.36018 
1 1 1 -7  32  26 o 40.391  7.3112  216.049    69.017   264.479    98.563   169.459    96.672   43.633  9.5727  34.651  10.551  8.981968       14.24616 
1 1 1 -7  32  27 o 50.336  6.2088  326.512    74.224   418.186    109.972  249.809    100.592  55.821  8.3779  42.057  10.003  13.76434       13.04809 
1 1 1 -7  32  28 o 43.553  6.7644  248.400    69.165   373.293    105.302  153.635    91.726   52.542  8.5541  33.045  10.315  19.49691       13.40029 
1 1 1 -7  32  29 o 64.730  6.8568  544.241    106.055  787.398    245.672  488.547    117.575  70.473  14.836  60.444  8.2308  10.02950       16.96645 
1 1 1 -7  32  30 o 41.393  7.1339  226.472    69.063   259.602    104.410  200.700    92.087   42.749  10.207  37.655  9.9348  5.093689       14.24362 
1 1 1 -7  32  31 o 58.236  5.9912  434.460    83.451   499.982    120.817  374.679    115.403  61.065  8.3745  52.050  9.4871  9.015106       12.65459 
1 1 1 -7  32  32 o 75.255  5.7300  721.126    103.844  740.644    134.217  692.017    163.907  75.067  7.4679  70.643  9.8287  4.424339       12.34393 
1 1 1 -7  32  33 o 66.372  6.1116  567.215    97.320   455.224    123.932  747.359    157.181  57.374  9.2141  73.983  8.9371  -16.60859      12.83634 
1 1 1 -7  33  1  o 35.212  6.1547  156.160    50.671   84.071     67.036   252.250    77.395   26.708  8.8634  44.728  7.3893  -18.02001      11.53962 
1 1 1 -7  33  2  o 21.054  7.0961  50.984     42.950   72.065     56.535   22.210     66.051   24.684  8.1372  20.701  8.4086  3.982618       11.70118 
1 1 1 -7  33  3  o 91.451  4.0697  1019.57    90.306   1038.11    124.277  998.822    131.449  91.914  5.5991  90.056  6.0508  1.858871       8.243902 
1 1 1 -7  33  4  o 75.838  4.2021  703.833    77.023   699.035    104.176  709.618    114.392  75.297  5.7454  75.751  6.2802  -0.4543304     8.511794 
1 1 1 -7  33  5  o 99.297  4.1082  1203.28    98.982   1236.11    136.514  1166.89    143.727  100.230 5.6362  97.251  6.1221  2.978867       8.321457 
1 1 1 -7  33  6  o 123.645 4.2541  1867.59    127.630  1869.05    177.811  1866.05    183.305  123.290 5.9438  123.137 6.1351  0.1527710      8.542165 
1 1 1 -7  33  7  o 136.657 4.3228  2283.34    143.337  2332.83    200.525  2231.64    204.965  137.635 6.0045  134.524 6.2794  3.111526       8.688157 
1 1 1 -7  33  8  o 70.990  4.2871  618.685    73.499   718.271    101.656  509.607    106.391  76.224  5.5341  63.752  6.9925  12.47199       8.917506 
1 1 1 -7  33  9  o 112.411 4.1914  1546.25    114.323  1548.73    159.726  1543.65    163.703  111.884 5.9045  111.640 6.0660  0.2440262      8.465229 
1 1 1 -7  33  10 o 87.804  4.1123  943.669    87.611   899.002    121.869  991.445    126.038  85.097  5.9394  89.417  5.8413  -4.319771      8.330539 
1 1 1 -7  33  11 o 94.825  4.1453  1101.47    95.377   1046.29    132.880  1160.12    136.979  91.754  6.0016  96.686  5.8666  -4.931732      8.392652 
1 1 1 -7  33  12 o 22.737  6.9717  64.831     42.115   108.643    55.681   6.2594     64.380   28.909  7.7707  19.026  8.0593  9.882977       11.19535 
1 1 1 -7  33  13 o 24.063  8.7554  62.485     66.207   62.485     66.207   0.0000     0.0000   24.063  8.7554  ?       ?       0.000000       8.755393 
1 1 1 -7  33  14 o 45.151  8.4026  265.883    88.667   265.883    88.667   0.0000     0.0000   45.151  8.4026  ?       ?       0.000000       8.402593 
1 1 1 -7  33  15 o 34.140  9.1116  154.488    76.885   154.488    76.885   0.0000     0.0000   34.140  9.1116  ?       ?       0.000000       9.111641 
1 1 1 -7  33  16 o 42.910  7.5083  238.123    75.327   229.825    86.586   263.950    152.756  41.701  8.8323  43.534  13.264  -1.833267      15.93574 
1 1 1 -7  33  17 o 10.659  5.0550  -41.6733   35.124   22.292     46.210   -129.1851  54.051   17.835  7.1060  10.782  5.3552  7.053694       8.897960 
1 1 1 -7  33  18 o 16.785  7.1146  4.7244     50.222   -27.6612   80.959   24.984     64.032   18.989  8.5086  20.319  8.2692  -1.330223      11.86491 
1 1 1 -7  33  19 o 61.623  5.1858  474.123    76.819   434.580    111.232  510.182    106.218  57.796  8.1587  63.210  7.0453  -5.414581      10.77965 
1 1 1 -7  33  20 o 18.247  7.2818  24.003     48.599   83.015     77.542   -14.1737   62.368   26.527  9.4989  17.166  7.5929  9.360905       12.16062 
1 1 1 -7  33  21 o 23.035  7.9322  63.942     53.706   126.721    79.149   10.372     73.113   30.798  9.5764  20.159  8.5661  10.63969       12.84856 
1 1 1 -7  33  22 o 129.814 8.5515  2208.70    267.849  0.0000     0.0000   2208.70    267.849  ?       ?       129.814 8.5515  0.000000       8.551538 
1 1 1 -7  33  23 o 70.103  8.2410  648.432    137.502  0.0000     0.0000   648.432    137.502  ?       ?       70.103  8.2410  0.000000       8.240989 
1 1 1 -7  33  24 o 51.097  7.7652  345.652    93.244   401.902    197.104  329.434    105.837  49.975  15.032  49.052  9.2311  0.9229240      17.63976 
1 1 1 -7  33  25 o 15.692  6.9521  -11.5450   52.491   30.214     85.584   -36.7253   66.458   22.545  9.4044  16.259  7.4510  6.286379       11.99836 
1 1 1 -7  33  26 o 39.950  7.0814  211.441    66.131   130.414    101.159  271.913    87.391   31.009  10.875  44.758  8.3541  -13.74966      13.71309 
1 1 1 -7  33  27 f 46.979  6.3516  286.520    70.546   214.961    104.957  345.488    95.277   38.458  10.802  50.755  8.0016  -12.29715      13.44289 
1 1 1 -7  33  28 o 15.750  7.1449  -26.0779   59.138   -204.2005  193.205  -7.6645    62.119   23.427  11.305  17.319  7.6230  6.107496       13.63492 
1 1 1 -7  33  29 o 55.082  5.8531  388.608    77.030   332.491    113.134  437.106    105.174  48.612  9.9271  57.373  7.7537  -8.760838      12.59637 
1 1 1 -7  33  30 o 27.188  9.3653  96.642     74.867   18.135     95.440   222.232    120.712  22.630  9.7056  38.654  11.794  -16.02479      15.27420 
1 1 1 -7  33  31 o 70.026  5.8924  627.829    99.187   666.135    127.361  568.787    158.120  71.023  7.5041  63.054  10.719  7.968491       13.08434 
1 1 1 -7  33  32 o 71.844  5.8595  662.430    101.255  546.403    130.019  841.247    161.411  63.187  8.7121  78.669  8.5959  -15.48204      12.23886 
1 1 1 -7  34  1  o 47.263  4.9148  275.948    55.538   310.335    75.582   235.590    81.882   49.865  6.3941  42.946  8.1560  6.918274       10.36363 
1 1 1 -7  34  2  f 23.133  7.2390  65.598     45.147   96.276     61.208   28.993     66.859   27.717  8.3854  21.308  8.5281  6.408627       11.96005 
1 1 1 -7  34  3  o 71.061  4.2425  618.848    72.816   543.266    98.593   709.549    108.005  66.169  6.2136  75.765  5.9221  -9.596207      8.583753 
1 1 1 -7  34  4  o 62.124  4.4086  474.176    66.023   449.099    90.388   502.858    96.667   60.055  6.2966  63.569  6.3522  -3.513783      8.944180 
1 1 1 -7  34  5  o 42.238  5.3775  222.542    53.862   157.480    72.006   305.195    81.158   34.807  8.5805  49.177  6.9991  -14.36983      11.07303 
1 1 1 -7  34  6  o 127.785 4.3429  1998.57    134.657  1948.04    187.018  2052.96    194.045  125.613 6.1360  128.927 6.2029  -3.314026      8.725044 
1 1 1 -7  34  7  o 70.698  4.3187  614.299    73.729   584.017    101.936  647.519    106.768  68.456  6.2043  72.122  6.1602  -3.665482      8.743123 
1 1 1 -7  34  8  o 104.296 4.1767  1332.14    105.697  1259.33    147.462  1409.08    151.579  100.715 6.0625  106.624 5.8817  -5.908798      8.446785 
1 1 1 -7  34  9  o 15.713  6.5232  8.4899     40.898   46.502     53.609   -44.4337   63.257   21.332  7.8607  15.696  7.2212  5.636238       10.67411 
1 1 1 -7  34  10 o 110.697 4.2497  1503.06    114.145  1448.44    159.726  1560.07    163.182  107.872 6.1277  112.010 6.0263  -4.137680      8.594452 
1 1 1 -7  34  11 o 42.503  7.4178  232.771    73.718   217.846    85.107   277.603    147.510  40.643  8.8785  44.807  12.881  -4.163662      15.64471 
1 1 1 -7  34  12 o 48.772  8.1601  308.368    93.155   308.368    93.155   0.0000     0.0000   48.772  8.1601  ?       ?       0.000000       8.160090 
1 1 1 -7  34  13 o 40.060  8.4440  211.063    79.491   211.063    79.491   0.0000     0.0000   40.060  8.4440  ?       ?       0.000000       8.443988 
1 1 1 -7  34  14 o 26.822  8.7864  89.858     65.954   89.858     65.954   0.0000     0.0000   26.822  8.7864  ?       ?       0.000000       8.786380 
1 1 1 -7  34  15 o 79.752  5.3238  791.167    102.428  840.265    117.799  638.996    207.384  81.945  5.9655  67.574  13.121  14.37138       14.41381 
1 1 1 -7  34  16 o 100.551 4.4520  1245.67    108.619  1352.19    157.695  1149.52    149.827  103.802 6.2908  95.571  6.4996  8.230904       9.045365 
1 1 1 -7  34  17 o 58.094  5.2466  421.982    73.158   321.711    107.532  508.387    99.820   49.061  9.3749  63.291  6.5969  -14.23008      11.46331 
1 1 1 -7  34  18 o 87.239  4.6637  943.813    98.363   1020.19    140.664  870.729    137.598  89.811  6.4988  82.712  6.9197  7.099075       9.492993 
1 1 1 -7  34  19 o 49.995  5.7237  316.470    68.182   419.393    101.970  233.248    91.693   56.822  7.5853  41.423  9.3452  15.39910       12.03615 
1 1 1 -7  34  20 o 90.066  5.8611  1023.13    127.388  860.894    253.531  1077.92    147.338  75.955  14.281  91.961  6.6479  -16.00564      15.75235 
1 1 1 -7  34  21 o 89.442  8.0252  1046.84    172.312  0.0000     0.0000   1046.84    172.312  ?       ?       89.442  8.0252  0.000000       8.025156 
1 1 1 -7  34  22 o 58.725  8.6997  463.197    120.212  0.0000     0.0000   463.197    120.212  ?       ?       58.725  8.6997  0.000000       8.699670 
1 1 1 -7  34  23 o 42.761  7.0163  240.696    70.272   283.142    99.264   198.054    99.494   45.204  9.3583  37.186  10.543  8.017769       14.09704 
1 1 1 -7  34  24 o 27.567  8.1700  102.894    58.547   80.255     91.361   118.669    76.265   26.534  10.156  29.454  9.4323  -2.920610      13.86049 
1 1 1 -7  34  25 o 12.695  5.9920  -49.1369   48.260   -55.8671   78.319   -45.0174   61.274   16.892  7.8628  15.025  6.9807  1.867114       10.51442 
1 1 1 -7  34  26 o 29.794  9.3581  122.707    75.368   463.938    183.537  53.496     82.659   53.929  13.928  23.820  9.4996  30.10895       16.85958 
1 1 1 -7  34  27 o 25.374  8.6914  83.129     64.443   148.456    175.700  72.974     69.271   34.091  13.761  24.577  8.9537  9.513948       16.41729 
1 1 1 -7  34  28 o 47.091  6.6435  289.991    73.802   330.032    109.281  256.416    100.069  48.525  9.6213  42.472  9.8941  6.052799       13.80083 
1 1 1 -7  34  29 o 29.633  9.1538  121.377    72.452   193.447    97.023   30.526     108.933  36.553  10.428  24.407  10.416  12.14668       14.73838 
1 1 1 -7  34  30 o 52.421  6.9253  361.832    85.931   373.124    112.924  346.298    132.447  51.678  9.3499  48.143  11.497  3.535152       14.81868 
1 1 1 -7  34  31 o 81.987  5.3952  856.520    106.729  836.046    142.090  883.027    161.674  79.295  7.4732  80.617  8.3880  -1.321609      11.23416 
1 1 1 -7  35  1  o 62.820  4.8187  485.914    72.890   388.436    110.334  561.400    97.094   55.213  8.5091  67.290  6.0099  -12.07727      10.41747 
1 1 1 -7  35  2  o 62.937  4.3168  486.579    65.524   453.062    89.165   525.928    96.612   60.323  6.1790  65.032  6.1976  -4.709175      8.751616 
1 1 1 -7  35  3  o 95.633  4.1246  1118.18    95.710   1042.54    131.910  1202.28    139.084  91.776  5.9558  98.619  5.8383  -6.843361      8.340103 
1 1 1 -7  35  4  o 76.919  4.2319  726.237    78.680   686.816    106.104  774.394    117.273  74.379  5.9284  78.933  6.1723  -4.554108      8.558259 
1 1 1 -7  35  5  o 82.733  4.2242  840.302    84.515   833.586    115.941  847.918    123.458  81.955  5.8692  82.551  6.2091  -0.5955048     8.544016 
1 1 1 -7  35  6  o 141.391 4.4569  2452.34    152.905  2333.45    212.762  2579.34    219.895  137.124 6.3946  144.224 6.2837  -7.099564      8.965276 
1 1 1 -7  35  7  o 113.740 4.2355  1586.26    116.891  1489.11    162.399  1690.69    168.379  109.405 6.1424  116.676 5.9676  -7.270508      8.563988 
1 1 1 -7  35  8  o 43.671  5.2267  238.516    54.284   296.351    73.290   168.226    80.796   48.419  6.3947  35.632  9.2603  12.78728       11.25365 
1 1 1 -7  35  9  o 92.884  6.0000  1075.67    134.502  1170.81    164.802  885.886    232.762  96.413  7.0945  80.910  12.239  15.50389       14.14621 
1 1 1 -7  35  10 o 31.988  8.3714  134.799    65.729   151.806    74.967   78.271     136.676  33.841  8.9808  30.407  12.185  3.434595       15.13682 
1 1 1 -7  35  11 o 73.072  6.4229  671.358    112.722  594.366    128.496  928.476    234.818  68.098  7.9248  82.733  12.051  -14.63483      14.42352 
1 1 1 -7  35  12 o 56.956  7.7536  417.243    104.369  417.243    104.369  0.0000     0.0000   56.956  7.7536  ?       ?       0.000000       7.753646 
1 1 1 -7  35  13 o 51.935  8.0831  350.232    98.547   350.232    98.547   0.0000     0.0000   51.935  8.0831  ?       ?       0.000000       8.083082 
1 1 1 -7  35  14 o 113.519 4.9498  1593.86    136.339  1690.96    176.396  1449.79    214.871  116.095 6.2854  106.091 8.4162  10.00375       10.50422 
1 1 1 -7  35  15 o 51.616  6.0104  337.070    73.866   334.287    102.888  340.030    106.111  50.306  8.7467  50.648  8.9624  -0.3421783     12.52314 
1 1 1 -7  35  16 o 28.309  7.9668  105.803    57.033   98.521     89.780   110.730    73.848   28.585  10.223  29.132  9.2767  -0.5474567     13.80430 
1 1 1 -7  35  17 o 23.376  8.0614  65.863     55.478   149.263    89.083   13.023     70.908   33.163  10.135  20.092  8.4815  13.07110       13.21536 
1 1 1 -7  35  18 o 26.829  7.9655  94.987     55.616   143.911    88.131   62.610     71.695   32.520  10.104  24.118  9.0504  8.401972       13.56470 
1 1 1 -7  35  19 o 23.778  8.9190  61.385     69.615   1.9420     157.885  75.730     77.561   27.267  12.070  25.621  9.4527  1.646315       15.33080 
1 1 1 -7  35  20 o 59.153  8.3436  466.289    116.428  0.0000     0.0000   466.289    116.428  ?       ?       59.153  8.3436  0.000000       8.343585 
1 1 1 -7  35  21 o 19.147  8.1485  10.453     66.339   0.0000     0.0000   10.453     66.339   ?       ?       19.147  8.1485  0.000000       8.148452 
1 1 1 -7  35  22 o 37.317  6.9268  184.617    60.411   133.551    89.732   226.949    81.699   31.047  10.252  40.668  8.5507  -9.621706      13.35010 
1 1 1 -7  35  23 o 23.343  8.0651  68.441     55.542   -13.1876   86.313   126.129    72.560   19.904  8.8614  30.146  9.1322  -10.24159      12.72483 
1 1 1 -7  35  24 o 23.503  8.1335  69.664     56.499   -57.8983   86.375   165.062    74.696   17.770  8.2667  34.327  8.8954  -16.55718      12.14358 
1 1 1 -7  35  25 o 23.483  8.7724  63.443     67.209   -314.4898  173.645  130.037    72.891   19.710  9.7564  30.513  9.1327  -10.80248      13.36388 
1 1 1 -7  35  26 o 27.964  9.2257  106.021    72.667   46.266     180.927  117.513    79.348   29.615  13.023  29.237  9.6402  0.3778458      16.20274 
1 1 1 -7  35  27 o 21.643  7.9269  54.002     54.397   9.7579     91.527   78.166     67.640   21.679  9.4019  24.957  8.8786  -3.277885      12.93152 
1 1 1 -7  35  28 o 25.016  9.1723  76.410     72.862   51.356     95.053   112.106    113.459  24.511  10.036  29.693  11.329  -5.181547      15.13527 
1 1 1 -7  35  29 o 41.785  8.0275  238.857    78.430   299.785    104.103  158.878    119.272  45.857  9.6610  33.087  11.788  12.76953       15.24111 
1 1 1 -7  35  30 o 29.648  9.5610  124.609    78.256   136.068    109.481  112.639    111.899  30.976  11.261  29.311  11.235  1.665348       15.90676 
1 1 1 -7  36  1  o 97.546  4.1226  1163.96    97.576   1112.18    137.235  1216.91    138.764  94.737  6.0011  99.183  5.7912  -4.446045      8.339684 
1 1 1 -7  36  2  o 63.061  4.2933  489.253    65.301   464.495    90.182   516.543    94.681   60.981  6.1802  64.349  6.1384  -3.368622      8.710605 
1 1 1 -7  36  3  o 55.033  4.6236  374.296    61.168   369.782    82.371   379.845    91.332   54.255  6.3788  54.801  7.0307  -0.5460434     9.493105 
1 1 1 -7  36  4  o 115.769 4.2631  1643.31    119.751  1636.67    166.738  1650.39    172.098  114.793 6.0071  115.197 6.1795  -0.4041061     8.618126 
1 1 1 -7  36  5  o 150.548 4.5647  2785.24    166.745  2699.99    232.234  2875.97    239.562  147.264 6.4993  151.989 6.4959  -4.725372      9.188998 
1 1 1 -7  36  6  o 68.949  4.4396  586.500    73.880   553.572    99.338   627.256    110.517  66.441  6.2348  70.655  6.5200  -4.213890      9.021262 
1 1 1 -7  36  7  o 86.998  5.9874  944.817    125.620  996.499    153.004  837.925    220.042  88.829  7.1596  78.770  11.882  10.05853       13.87252 
1 1 1 -7  36  8  o 76.543  5.9843  732.951    110.258  730.801    133.635  737.536    195.135  75.854  7.3530  74.131  11.198  1.723480       13.39590 
1 1 1 -7  36  9  o 30.033  8.3837  118.575    63.426   182.825    72.963   -80.1298   128.313  37.224  8.2909  22.163  10.228  15.06060       13.16651 
1 1 1 -7  36  10 o 58.043  6.8229  428.178    94.259   444.293    104.964  361.043    214.241  58.860  7.5214  49.480  15.805  9.379910       17.50370 
1 1 1 -7  36  11 o 94.182  7.4328  1128.51    168.479  1128.51    168.479  0.0000     0.0000   94.182  7.4328  ?       ?       0.000000       7.432837 
1 1 1 -7  36  12 o 61.691  6.6590  483.240    98.096   483.240    98.096   0.0000     0.0000   61.691  6.6590  ?       ?       0.000000       6.659002 
1 1 1 -7  36  13 o 64.853  5.2028  525.165    81.182   642.335    107.834  371.878    123.339  71.315  6.2964  52.452  10.057  18.86324       11.86540 
1 1 1 -7  36  14 o 34.458  7.4309  156.427    60.301   210.593    91.250   114.434    80.345   39.316  9.6394  29.672  9.6966  9.643795       13.67269 
1 1 1 -7  36  15 o 94.340  4.6762  1102.63    107.041  1164.80    150.783  1039.46    151.984  95.835  6.5231  90.215  6.9979  5.619919       9.566688 
1 1 1 -7  36  16 o 34.214  7.5161  155.520    60.691   228.168    94.225   104.007    79.342   40.702  9.6818  28.442  9.6444  12.25950       13.66576 
1 1 1 -7  36  17 o 47.919  7.7629  303.246    87.173   328.093    179.826  295.613    99.666   46.034  14.454  46.606  9.1399  -0.5726357     17.10174 
1 1 1 -7  36  18 o 54.495  7.3255  388.776    94.411   428.316    191.114  376.011    108.585  52.081  14.558  52.768  8.7900  -0.6868401     17.00583 
1 1 1 -7  36  19 o 27.721  9.8468  98.024     83.166   0.0000     0.0000   98.024     83.166   ?       ?       27.721  9.8468  0.000000       9.846802 
1 1 1 -7  36  20 o 56.527  7.5490  423.189    100.954  0.0000     0.0000   423.189    100.954  ?       ?       56.527  7.5490  0.000000       7.549027 
1 1 1 -7  36  21 o 58.078  5.3664  429.333    74.768   470.056    106.709  390.060    104.793  59.484  7.5644  53.645  8.3202  5.838589       11.24483 
1 1 1 -7  36  22 o 57.210  5.6765  419.645    77.758   510.478    109.287  326.520    110.658  62.041  7.4062  47.908  9.8484  14.13298       12.32244 
1 1 1 -7  36  23 o 38.510  7.3276  199.614    65.967   98.214     96.783   287.595    90.152   27.951  10.510  45.752  8.4315  -17.80113      13.47414 
1 1 1 -7  36  24 o 52.096  7.3891  361.834    90.785   486.866    200.975  329.780    101.758  53.663  14.904  48.722  8.9368  4.940353       17.37773 
1 1 1 -7  36  25 o 49.518  6.0529  317.766    71.212   225.717    104.787  396.759    97.072   39.117  10.721  54.508  7.5416  -15.39063      13.10814 
1 1 1 -7  36  26 o 27.610  9.2140  103.319    72.408   123.703    92.235   70.580     116.890  29.940  10.390  27.105  11.118  2.834509       15.21714 
1 1 1 -7  36  27 o 25.997  9.1928  87.750     72.408   127.909    93.975   29.072     113.594  30.264  10.489  24.483  10.546  5.781874       14.87379 
1 1 1 -7  36  28 o 19.244  8.6190  -15.2936   82.981   -32.8043   89.404   93.600     222.950  19.088  8.7076  32.475  14.360  -13.38632      16.79411 
1 1 1 -7  36  29 o 33.002  11.220  163.969    107.383  121.853    119.355  342.866    245.991  29.975  11.573  41.966  16.497  -11.99096      20.15214 
1 1 1 -7  37  1  o 36.132  5.7712  165.251    48.894   172.224    66.400   156.992    72.265   36.396  7.7561  34.565  8.6400  1.831230       11.61059 
1 1 1 -7  37  2  o 58.546  4.4448  423.266    62.670   362.615    86.398   490.612    91.041   53.516  6.8077  62.608  6.0693  -9.091785      9.120362 
1 1 1 -7  37  3  o 78.104  4.1905  750.639    79.125   764.677    109.697  735.415    114.240  78.331  5.8131  76.673  6.1935  1.658295       8.494198 
1 1 1 -7  37  4  o 66.189  6.1724  549.657    97.986   499.828    116.471  670.345    181.263  62.455  7.8599  70.900  10.884  -8.444977      13.42568 
1 1 1 -7  37  5  o 119.016 6.1043  1768.36    175.687  1732.63    220.595  1830.31    290.517  116.750 7.8325  118.149 10.235  -1.399498      12.88808 
1 1 1 -7  37  6  o 74.974  5.9712  703.976    107.726  630.628    130.105  863.899    192.111  70.177  7.7712  80.977  9.9892  -10.80061      12.65604 
1 1 1 -7  37  7  o 80.472  6.0035  811.289    116.379  816.123    141.298  801.091    205.218  80.089  7.3531  77.010  11.320  3.079079       13.49883 
1 1 1 -7  37  8  o 79.527  5.9972  792.925    114.872  751.451    139.101  881.861    203.696  76.677  7.5756  81.277  10.580  -4.599464      13.01224 
1 1 1 -7  37  9  o 62.604  4.6543  486.310    70.194   523.391    95.084   441.897    104.061  64.438  6.1563  58.634  7.4851  5.803616       9.691584 
1 1 1 -7  37  10 o 110.675 6.5738  1544.65    175.742  1544.65    175.742  0.0000     0.0000   110.675 6.5738  ?       ?       0.000000       6.573766 
1 1 1 -7  37  11 o 86.243  6.5437  940.958    135.913  940.958    135.913  0.0000     0.0000   86.243  6.5437  ?       ?       0.000000       6.543698 
1 1 1 -7  37  12 o 68.583  4.8961  586.048    80.942   588.669    114.463  583.427    114.474  67.797  7.0617  67.474  7.0986  0.3235092      10.01292 
1 1 1 -7  37  13 o 79.885  4.7596  794.059    91.838   905.260    128.578  678.242    131.219  84.533  6.3143  72.426  7.5791  12.10631       9.864726 
1 1 1 -7  37  14 f 23.804  8.0490  70.236     55.261   194.781    87.155   -13.4986   71.463   37.614  9.5363  18.373  8.1270  19.24122       12.52953 
1 1 1 -7  37  15 o 86.975  6.4389  965.094    134.918  1151.96    239.734  878.475    163.219  90.944  11.094  81.612  8.3603  9.331245       13.89147 
1 1 1 -7  37  16 o 38.068  9.0350  199.730    82.203   348.616    169.105  153.663    94.065   47.416  13.839  33.199  10.459  14.21668       17.34651 
1 1 1 -7  37  17 o 38.195  9.0756  202.384    82.867   341.591    173.029  160.952    94.397   46.417  14.111  33.745  10.453  12.67196       17.56076 
1 1 1 -7  37  18 o 52.222  7.8235  364.328    96.081   395.262    213.480  356.470    107.595  48.025  15.811  50.896  9.0439  -2.871056      18.21508 
1 1 1 -7  37  19 o 33.466  9.7770  159.592    84.369   0.0000     0.0000   159.592    84.369   ?       ?       33.466  9.7770  0.000000       9.777043 
1 1 1 -7  37  20 o 21.293  7.6998  53.463     51.090   -21.0431   79.473   105.942    66.699   18.629  8.3821  27.796  8.8125  -9.167536      12.16221 
1 1 1 -7  37  21 f 46.074  6.2146  277.119    67.703   210.994    98.626   336.049    93.106   37.874  10.410  49.752  7.9827  -11.87776      13.11836 
1 1 1 -7  37  22 o 46.887  6.4206  288.340    71.125   227.687    102.237  345.227    99.013   39.250  10.521  50.104  8.4446  -10.85451      13.49067 
1 1 1 -7  37  23 o 32.654  7.8281  146.888    61.218   91.146     95.752   185.426    79.615   27.261  10.406  36.135  9.0888  -8.873941      13.81641 
1 1 1 -7  37  24 o 39.073  7.3194  205.813    66.844   150.472    99.503   251.327    90.238   32.268  10.801  42.243  9.0745  -9.974380      14.10713 
1 1 1 -7  37  25 o 23.348  8.8692  61.666     69.345   54.414     91.025   71.696     107.051  24.296  9.8702  26.482  10.723  -2.186161      14.57402 
1 1 1 -7  37  26 o 21.156  8.5008  39.405     66.723   30.750     87.107   51.694     103.792  22.342  9.4142  24.936  10.375  -2.594229      14.00984 
1 1 1 -7  37  27 f 53.092  8.6947  393.280    108.129  416.448    118.542  278.516    263.832  54.117  9.3667  39.314  16.465  14.80325       18.94297 
1 1 1 -7  37  28 o 50.723  9.8136  376.066    116.413  405.090    129.394  252.801    266.663  51.939  10.626  37.615  16.180  14.32377       19.35737 
1 1 1 -7  38  1  o 43.344  7.3641  242.248    74.677   274.592    86.616   148.585    147.397  45.966  8.0599  35.316  13.031  10.64919       15.32203 
1 1 1 -7  38  2  o 30.182  8.4949  119.691    64.841   103.239    73.653   176.372    136.709  28.546  9.2818  36.793  12.656  -8.246717      15.69516 
1 1 1 -7  38  3  o 78.673  6.1152  776.153    115.817  876.126    139.572  555.108    207.538  83.216  6.9768  62.229  14.074  20.98750       15.70878 
1 1 1 -7  38  4  o 33.360  8.3845  147.641    67.790   98.967     77.031   314.761    142.737  28.187  9.5032  47.361  12.308  -19.17419      15.54998 
1 1 1 -7  38  5  o 34.192  8.3314  155.230    68.486   123.011    77.929   264.535    143.536  30.631  9.4987  43.309  12.781  -12.67822      15.92429 
1 1 1 -7  38  6  o 49.092  7.0353  309.503    81.408   351.308    94.354   187.741    161.025  52.092  7.6967  37.904  13.675  14.18788       15.69246 
1 1 1 -7  38  7  o 66.572  4.5670  549.501    73.325   586.605    99.117   504.650    108.976  68.253  6.0476  62.746  7.2939  5.506927       9.474916 
1 1 1 -7  38  8  o 52.527  5.9867  349.138    74.938   412.175    111.439  297.103    101.249  56.066  8.4544  47.124  9.1850  8.942726       12.48365 
1 1 1 -7  38  9  o 55.712  8.7730  410.309    114.671  410.309    114.671  0.0000     0.0000   55.712  8.7730  ?       ?       0.000000       8.772997 
1 1 1 -7  38  10 o 77.782  6.5915  769.038    123.232  769.038    123.232  0.0000     0.0000   77.782  6.5915  ?       ?       0.000000       6.591523 
1 1 1 -7  38  11 o 79.385  4.8430  785.289    92.840   764.429    127.544  808.797    135.400  77.302  6.8716  79.390  7.1040  -2.088287      9.883589 
1 1 1 -7  38  12 o 66.932  5.1356  561.844    82.768   654.578    114.832  461.575    119.406  71.486  6.6984  58.919  8.6062  12.56763       10.90574 
1 1 1 -7  38  13 o 48.931  7.6344  315.602    87.682   46.518     174.157  406.968    101.482  30.071  13.005  55.627  7.7274  -25.55533      15.12782 
1 1 1 -7  38  14 f 41.275  8.3013  230.400    80.257   266.650    169.017  219.847    91.194   41.631  14.077  39.693  9.5784  1.937130       17.02630 
1 1 1 -7  38  15 o 53.336  7.3827  374.980    92.981   400.753    186.651  366.473    107.234  49.863  14.535  51.866  8.8378  -2.002396      17.01096 
1 1 1 -7  38  16 o 13.365  6.2564  -44.5159   50.738   -188.7183  142.661  -23.6344   54.288   19.662  9.5435  15.140  6.8591  4.522596       11.75269 
1 1 1 -7  38  17 f 63.677  6.5893  527.842    100.336  407.762    220.729  559.116    112.647  47.892  16.087  65.097  7.2551  -17.20478      17.64730 
1 1 1 -7  38  18 o 56.402  8.0121  430.199    106.567  0.0000     0.0000   430.199    106.567  ?       ?       56.402  8.0121  0.000000       8.012101 
1 1 1 -7  38  19 o 55.133  5.5279  390.261    72.952   392.539    105.392  388.165    101.084  53.480  8.3986  53.422  8.0479  0.5725098E-01  11.63208 
1 1 1 -7  38  20 o 43.317  6.3035  246.562    64.310   336.175    94.775   170.092    87.550   49.527  8.1716  34.141  9.9555  15.38594       12.87970 
1 1 1 -7  38  21 o 24.129  8.1616  76.436     56.818   47.011     84.151   101.091    77.028   23.186  9.4626  27.324  9.4945  -4.138849      13.40473 
1 1 1 -7  38  22 o 22.695  8.1896  63.080     57.753   135.256    87.220   6.7266     77.069   30.733  10.106  19.849  8.6179  10.88400       13.28143 
1 1 1 -7  38  23 o 22.425  8.8041  51.213     69.974   4.1716     89.866   123.652    111.518  21.017  9.2115  30.159  11.293  -9.142263      14.57359 
1 1 1 -7  38  24 o 15.586  7.1747  -35.5433   62.570   12.579     82.924   -99.1634   95.346   20.793  8.9834  17.135  8.1832  3.658274       12.15181 
1 1 1 -7  38  25 o 38.738  10.425  224.480    100.144  205.017    106.924  363.503    285.771  36.640  11.083  42.386  17.384  -5.746014      20.61620 
1 1 1 -7  38  26 o 41.337  10.585  259.131    106.635  313.804    115.171  -69.2311   282.249  45.611  10.607  29.678  14.147  15.93367       17.68198 
1 1 1 -7  39  1  o 28.581  8.1475  107.181    59.254   155.104    66.975   -65.4518   127.117  34.217  8.1782  22.515  10.313  11.70244       13.16222 
1 1 1 -7  39  2  o 22.538  8.2171  55.298     58.358   55.742     66.167   53.744     123.823  23.242  8.6998  27.814  11.430  -4.572681      14.36385 
1 1 1 -7  39  3  o 37.886  7.9328  189.287    70.586   189.878    81.663   187.540    140.364  37.597  9.0589  37.359  12.826  0.2373962      15.70259 
1 1 1 -7  39  4  o 37.611  5.8052  180.283    51.273   182.707    70.135   177.501    75.148   37.163  8.0136  36.434  8.6328  0.7287140      11.77891 
1 1 1 -7  39  5  o 50.630  4.8185  319.993    58.481   293.084    79.406   351.890    86.451   47.666  7.0808  52.350  6.9800  -4.683487      9.942693 
1 1 1 -7  39  6  o 31.643  8.4386  133.836    65.979   80.158     97.291   179.546    89.779   27.513  10.492  36.256  9.9185  -8.742359      14.43843 
1 1 1 -7  39  7  o 88.087  4.7236  963.736    100.592  974.933    144.759  953.281    139.883  87.482  6.8750  86.597  6.7096  0.8846893      9.606528 
1 1 1 -7  39  8  o 24.337  9.9574  41.430     93.476   41.430     93.476   0.0000     0.0000   24.337  9.9574  ?       ?       0.000000       9.957439 
1 1 1 -7  39  9  o 18.097  8.4042  -63.3361   88.658   -63.3361   88.658   0.0000     0.0000   18.097  8.4042  ?       ?       0.000000       8.404166 
1 1 1 -7  39  10 f 25.487  8.0515  84.504     55.715   31.415     77.519   141.234    80.133   22.025  9.0462  32.134  9.5661  -10.10911      13.16597 
1 1 1 -7  39  11 o 29.575  9.1017  118.259    71.706   -50.8035   151.125  167.379    81.460   24.654  11.275  34.752  9.4232  -10.09771      14.69465 
1 1 1 -7  39  12 o 54.230  7.3745  386.428    94.520   130.381    181.886  481.154    110.631  33.898  13.882  60.381  7.7284  -26.48377      15.88821 
1 1 1 -7  39  13 o 19.490  8.3115  10.912     69.275   -13.1040   146.928  17.777     78.554   25.459  11.431  20.977  8.8950  4.481588       14.48415 
1 1 1 -7  39  14 o 48.968  7.9263  322.522    90.959   362.475    181.109  309.045    105.188  46.969  14.467  46.909  9.5658  0.5966949E-01  17.34321 
1 1 1 -7  39  15 o 17.905  7.3395  20.318     50.904   45.091     77.640   1.6394     67.417   22.687  9.1509  18.529  8.0525  4.157612       12.18941 
1 1 1 -7  39  16 o 35.832  8.9172  181.484    77.219   278.700    187.990  161.751    84.694   40.634  14.758  33.480  9.8001  7.154678       17.71573 
1 1 1 -7  39  17 o 30.390  9.8468  131.790    82.929   0.0000     0.0000   131.790    82.929   ?       ?       30.390  9.8468  0.000000       9.846763 
1 1 1 -7  39  18 o 15.636  6.7427  2.0800     46.538   -32.0832   75.078   23.397     59.306   17.411  7.9568  19.044  7.8765  -1.633488      11.19600 
1 1 1 -7  39  19 o 72.264  5.0242  664.119    87.548   575.605    124.239  751.424    123.388  64.984  8.0517  75.477  6.8108  -10.49230      10.54593 
1 1 1 -7  39  20 o 32.642  7.5526  146.840    58.631   86.092     89.297   192.874    77.734   26.365  10.053  36.823  8.8169  -10.45804      13.37143 
1 1 1 -7  39  21 o 26.038  8.5497  92.379     62.436   76.199     84.473   111.862    92.694   25.353  9.7510  28.614  10.368  -3.260414      14.23271 
1 1 1 -7  39  22 o 19.918  8.3610  22.343     68.289   47.206     84.105   -25.7614   116.986  23.130  9.4522  21.997  10.006  1.132887       13.76444 
1 1 1 -7  39  23 f 31.760  9.0915  145.060    73.622   179.758    95.152   93.304     116.211  34.647  10.449  28.016  11.232  6.631071       15.34114 
1 1 1 -7  39  24 o 30.272  11.054  132.096    105.660  150.983    113.852  14.839     283.674  31.803  11.495  31.486  14.756  0.3163757      18.70537 
1 1 1 -7  39  25 o 41.504  10.865  267.295    110.695  250.853    118.098  386.227    317.633  39.573  11.569  41.076  17.664  -1.503719      21.11548 
1 1 1 -7  40  1  o 27.324  6.9268  97.928     45.986   80.595     63.027   117.659    67.247   25.514  8.5961  29.799  8.7354  -4.284531      12.25560 
1 1 1 -7  40  2  o 96.498  4.2332  1147.90    99.118   1138.84    137.990  1157.55    142.465  95.187  6.0054  95.884  6.1560  -0.6969070     8.600074 
1 1 1 -7  40  3  o 35.627  7.5475  167.469    63.216   213.199    95.292   131.523    84.483   39.427  9.9582  31.435  9.9129  7.992271       14.05104 
1 1 1 -7  40  4  o 43.340  6.5392  241.718    66.628   216.062    99.660   262.453    89.595   39.528  10.290  44.334  8.6393  -4.805336      13.43609 
1 1 1 -7  40  5  o 89.520  4.7718  996.710    103.275  1052.33    145.867  940.802    146.239  90.956  6.6557  85.707  7.0959  5.248749       9.728808 
1 1 1 -7  40  6  o 73.403  5.0904  674.041    90.102   825.970    131.402  539.216    123.786  80.373  6.8018  64.112  8.1408  16.26113       10.60832 
1 1 1 -7  40  7  o 23.548  9.6406  39.004     87.688   39.004     87.688   0.0000     0.0000   23.548  9.6406  ?       ?       0.000000       9.640613 
1 1 1 -7  40  8  o 42.177  10.582  251.809    108.118  251.809    108.118  0.0000     0.0000   42.177  10.582  ?       ?       0.000000       10.58217 
1 1 1 -7  40  9  o 48.821  7.6678  315.486    87.838   337.622    170.009  307.425    102.592  46.565  13.950  47.317  9.2673  -0.7517509     16.74761 
1 1 1 -7  40  10 o 49.071  8.0094  322.291    92.076   141.492    173.096  393.635    108.735  34.025  13.685  53.972  8.5910  -19.94703      16.15807 
1 1 1 -7  40  11 o 63.409  7.1080  526.527    107.478  414.464    196.952  574.051    128.259  49.961  15.025  65.427  8.2634  -15.46644      17.14779 
1 1 1 -7  40  12 o 39.161  8.8944  213.946    82.589   426.433    168.807  147.077    94.697   52.039  13.314  32.174  10.528  19.86504       16.97375 
1 1 1 -7  40  13 o 47.812  6.2986  298.264    71.292   326.272    101.187  270.657    100.461  48.443  8.9379  43.493  9.7594  4.949928       13.23371 
1 1 1 -7  40  14 o 30.951  8.1219  133.247    61.761   231.401    93.799   58.123     82.061   39.997  9.7529  23.897  9.4857  16.09968       13.60506 
1 1 1 -7  40  15 o 32.239  9.2453  149.325    76.072   -2.1021    201.260  174.565    82.167   28.338  12.979  34.704  9.4865  -6.366091      16.07657 
1 1 1 -7  40  16 o 16.881  7.6872  -27.5532   69.292   0.0000     0.0000   -27.5532   69.292   ?       ?       16.881  7.6872  0.000000       7.687196 
1 1 1 -7  40  17 o 27.651  8.5428  107.190    63.100   84.741     103.851  120.328    79.447   26.847  10.666  29.059  9.6494  -2.212301      14.38341 
1 1 1 -7  40  18 o 34.455  7.8829  165.489    64.475   175.183    89.807   155.177    92.621   34.299  10.106  32.307  10.400  1.991348       14.50156 
1 1 1 -7  40  19 o 30.976  7.9267  134.311    59.825   193.933    87.376   81.694     82.082   36.291  9.7255  25.576  9.6653  10.71438       13.71146 
1 1 1 -7  40  20 o 36.117  8.4352  184.267    72.584   134.661    92.687   262.930    116.717  30.468  10.424  41.197  11.325  -10.72880      15.39176 
1 1 1 -7  40  21 f 17.715  7.6623  5.0053     60.464   28.643     77.487   -31.7948   96.683   21.186  8.9006  19.757  9.0291  1.429529       12.67855 
1 1 1 -7  40  22 o 23.711  8.9932  67.463     71.227   25.989     91.361   131.739    113.737  22.165  9.5009  30.328  11.396  -8.163029      14.83667 
1 1 1 -7  40  23 o 14.775  7.1833  -117.5238  81.748   -101.6721  85.909   -269.3755  265.897  15.779  7.5959  25.238  12.413  -9.458931      14.55262 
1 1 1 -7  40  24 o 66.304  8.5939  623.405    135.008  737.897    148.079  59.424     328.655  72.135  8.6316  32.347  15.376  39.78841       17.63330 
1 1 1 -7  41  1  o 52.201  5.5259  343.849    68.927   294.706    98.427   391.141    96.554   46.844  8.9864  54.903  7.4396  -8.058262      11.66632 
1 1 1 -7  41  2  o 64.492  5.1876  521.289    80.491   535.172    117.277  508.925    110.673  64.167  7.6855  62.695  7.4190  1.471344       10.68215 
1 1 1 -7  41  3  o 22.111  8.2122  52.462     58.733   53.557     90.692   51.672     77.080   24.878  9.9409  23.606  9.2486  1.271973       13.57786 
1 1 1 -7  41  4  o 23.908  8.0758  71.151     55.629   25.119     88.161   101.604    71.707   22.659  9.5052  27.902  9.1626  -5.243433      13.20231 
1 1 1 -7  41  5  o 25.696  7.9939  86.533     55.144   -6.8313    87.502   148.044    71.023   20.623  9.0631  32.937  8.7417  -12.31358      12.59192 
1 1 1 -7  41  6  o 31.540  12.964  98.210     159.380  98.210     159.380  0.0000     0.0000   31.540  12.964  ?       ?       0.000000       12.96449 
1 1 1 -7  41  7  o 36.994  13.874  195.629    168.445  195.629    168.445  0.0000     0.0000   36.994  13.874  ?       ?       0.000000       13.87433 
1 1 1 -7  41  8  f 54.652  7.1781  392.434    92.886   361.624    170.221  405.499    110.844  47.738  13.870  54.675  8.6425  -6.936375      16.34267 
1 1 1 -7  41  9  o 65.312  6.7788  555.849    105.860  674.394    196.442  507.334    125.668  66.948  12.554  61.036  8.7346  5.912930       15.29373 
1 1 1 -7  41  10 o 60.783  7.0370  486.345    101.867  477.679    192.715  489.706    120.001  53.783  14.456  59.981  8.4818  -6.198673      16.76096 
1 1 1 -7  41  11 o 49.144  6.0244  313.580    70.332   233.131    100.903  389.598    98.085   39.850  10.345  53.781  7.7393  -13.93126      12.91941 
1 1 1 -7  41  12 o 25.121  8.2404  84.748     58.005   53.525     80.916   117.754    83.194   23.414  9.3779  29.026  9.8756  -5.612251      13.61884 
1 1 1 -7  41  13 o 26.575  6.0745  94.469     38.316   131.341    127.389  90.802     40.176   30.860  11.945  25.947  6.4171  4.913126       13.55966 
1 1 1 -7  41  14 o 30.768  9.1212  136.457    72.967   135.926    198.097  136.541    78.485   32.705  14.004  30.672  9.5359  2.032187       16.94203 
1 1 1 -7  41  15 o 28.576  9.4973  116.524    76.957   0.0000     0.0000   116.524    76.957   ?       ?       28.576  9.4973  0.000000       9.497285 
1 1 1 -7  41  16 o 55.370  5.9727  400.863    78.973   429.188    113.580  374.353    109.882  55.162  8.7802  51.118  9.1971  4.043381       12.71533 
1 1 1 -7  41  17 o 13.170  6.2144  -49.0693   51.833   -32.7938   82.838   -59.5419   66.448   18.173  8.3247  14.892  7.0295  3.281175       10.89561 
1 1 1 -7  41  18 o 13.012  6.0516  -34.4132   46.234   -157.2219  72.852   48.405     59.826   12.569  6.2385  21.188  8.1902  -8.619306      10.29553 
1 1 1 -7  41  19 o 26.012  8.1487  93.894     57.188   133.606    85.375   61.573     77.022   30.230  10.001  23.550  9.2398  6.679125       13.61611 
1 1 1 -7  41  20 o 22.103  8.2413  58.469     59.263   52.282     92.048   62.849     77.450   23.815  9.8282  23.638  9.2682  0.1767216      13.50898 
1 1 1 -7  41  21 o 37.355  10.621  215.851    100.823  170.858    108.471  501.606    273.362  33.089  11.276  46.753  17.646  -13.66435      20.94101 
1 1 1 -7  41  22 o 36.270  11.202  211.167    108.509  204.325    115.598  261.874    314.712  35.397  11.634  36.652  16.568  -1.254704      20.24478 
1 1 1 -7  42  1  o 47.871  5.8749  292.366    66.807   322.377    100.326  268.457    89.549   48.941  8.7706  44.663  8.5750  4.278633       12.26598 
1 1 1 -7  42  2  o 60.907  5.2631  467.457    77.017   383.224    112.308  542.236    105.819  53.236  9.0163  64.842  6.8284  -11.60596      11.31021 
1 1 1 -7  42  3  o 35.965  8.5820  176.743    73.849   116.411    160.912  192.841    83.119   32.538  13.157  37.328  9.2291  -4.790043      16.07086 
1 1 1 -7  42  4  o 71.502  6.4956  657.603    111.465  588.050    199.763  689.049    134.320  61.989  13.650  72.342  7.7741  -10.35388      15.70899 
1 1 1 -7  42  5  o 37.865  13.676  214.507    161.092  214.507    161.092  0.0000     0.0000   37.865  13.676  ?       ?       0.000000       13.67553 
1 1 1 -7  42  6  o 37.585  13.684  214.002    161.757  214.002    161.757  0.0000     0.0000   37.585  13.684  ?       ?       0.000000       13.68386 
1 1 1 -7  42  7  o 43.467  8.7125  261.444    88.690   319.290    178.955  242.610    102.112  43.859  14.478  40.892  10.297  2.966560       17.76671 
1 1 1 -7  42  8  o 37.941  8.0834  198.091    72.138   262.129    110.917  151.145    94.967   42.038  10.813  32.360  10.540  9.677784       15.10013 
1 1 1 -7  42  9  o 50.325  6.1172  329.972    73.161   387.316    107.801  281.006    99.614   52.852  8.7095  44.300  9.5486  8.551830       12.92406 
1 1 1 -7  42  10 o 53.932  5.7522  376.538    74.112   431.555    106.226  324.360    103.449  56.220  8.0140  47.746  9.2637  8.473782       12.24906 
1 1 1 -7  42  11 o 34.037  7.8485  161.391    63.494   138.656    90.628   183.308    88.983   30.797  10.308  35.141  9.9729  -4.344341      14.34287 
1 1 1 -7  42  12 o 42.069  8.4526  249.712    83.287   384.901    178.631  212.160    94.147   46.399  14.380  37.599  10.103  8.800270       17.57438 
1 1 1 -7  42  13 f 53.110  7.5559  385.340    94.623   368.164    222.514  389.132    104.547  42.880  15.973  52.654  8.4703  -9.773884      18.07979 
1 1 1 -7  42  14 o 22.738  9.2074  50.727     78.934   0.0000     0.0000   50.727     78.934   ?       ?       22.738  9.2074  0.000000       9.207442 
1 1 1 -7  42  15 o 9.7810  4.8597  -102.6463  44.643   -148.7130  77.288   -79.5808   54.689   13.332  6.5825  12.277  5.9470  1.054215       8.871099 
1 1 1 -7  42  16 o 25.014  8.3955  85.791     60.118   133.396    88.837   45.573     81.655   30.046  10.205  22.555  9.2764  7.491007       13.79118 
1 1 1 -7  42  17 o 35.959  7.8942  181.425    66.990   230.016    97.417   137.835    92.269   38.984  10.186  30.467  10.400  8.517082       14.55746 
1 1 1 -7  42  18 o 29.910  7.8910  126.409    58.098   38.391     82.557   212.764    81.774   22.122  9.2330  38.291  8.9604  -16.16841      12.86609 
1 1 1 -7  42  19 o 20.095  7.9569  39.902     57.612   -13.5145   88.912   78.560     75.638   19.632  8.8465  24.741  9.2936  -5.109467      12.83094 
1 1 1 -7  42  20 o 42.334  10.277  275.264    104.508  234.751    112.685  524.421    279.451  38.069  11.346  46.359  17.758  -8.289898      21.07332 
1 1 1 -7  42  21 o 27.648  10.057  111.789    87.343   185.104    93.450   -394.7911  245.645  34.259  10.360  21.996  11.002  12.26285       15.11217 
1 1 1 -7  43  1  o 34.824  8.5837  166.670    72.066   114.274    148.815  182.723    82.369   31.704  12.711  36.185  9.3235  -4.481342      15.76370 
1 1 1 -7  43  2  o 51.124  7.3368  345.136    88.402   133.182    176.473  416.142    102.142  33.567  13.702  55.978  7.7260  -22.41089      15.72991 
1 1 1 -7  43  3  o 65.081  6.6884  550.712    104.115  767.236    190.829  458.940    124.235  73.017  11.122  57.717  9.1785  15.29993       14.42058 
1 1 1 -7  43  4  o 27.927  11.962  54.105     144.645  54.105     144.645  0.0000     0.0000   27.927  11.962  ?       ?       0.000000       11.96214 
1 1 1 -7  43  5  o 35.972  13.503  196.418    159.624  196.418    159.624  0.0000     0.0000   35.972  13.503  ?       ?       0.000000       13.50321 
1 1 1 -7  43  6  o 54.832  6.0790  390.588    79.517   397.452    118.078  384.891    107.565  52.932  9.5448  52.694  8.7178  0.2379112      12.92681 
1 1 1 -7  43  7  f 30.160  8.3734  127.855    63.452   35.856     102.937  184.234    80.582   23.850  10.150  35.781  9.2232  -11.93020      13.71476 
1 1 1 -7  43  8  o 71.836  5.4059  662.243    93.537   708.372    138.060  623.103    127.172  72.030  8.0363  67.650  7.8960  4.380341       11.26628 
1 1 1 -7  43  9  o 64.891  5.3163  541.256    82.972   528.984    119.602  552.641    115.201  61.902  8.1619  63.790  7.5920  -1.887409      11.14698 
1 1 1 -7  43  10 o 26.361  9.2433  95.832     73.085   154.093    174.479  83.435     80.486   32.540  13.488  25.466  9.5827  7.074137       16.54580 
1 1 1 -7  43  11 o 42.847  6.8924  248.608    69.226   167.911    98.570   327.148    97.244   32.980  10.738  47.916  8.6839  -14.93606      13.81024 
1 1 1 -7  43  12 o 53.106  7.9458  392.199    99.240   623.796    227.939  338.030    110.237  56.656  15.921  47.643  9.8608  9.012131       18.72716 
1 1 1 -7  43  13 o 72.587  7.7257  724.570    133.978  0.0000     0.0000   724.570    133.978  ?       ?       72.587  7.7257  0.000000       7.725720 
1 1 1 -7  43  14 o 26.962  8.4444  103.520    61.419   148.221    90.625   65.549     83.526   31.239  10.303  24.038  9.5611  7.200809       14.05554 
1 1 1 -7  43  15 o 16.470  7.1910  0.5025     54.301   122.931    85.124   -83.4985   70.510   28.957  9.9856  14.423  6.9275  14.53462       12.15330 
1 1 1 -7  43  16 o 31.661  8.1821  143.510    63.311   165.383    92.780   124.450    86.608   32.815  10.393  29.095  10.070  3.720612       14.47106 
1 1 1 -7  43  17 f 25.659  8.4477  92.440     60.940   253.104    89.643   -45.6022   83.093   41.542  9.1415  17.479  8.1234  24.06321       12.22931 
1 1 1 -7  43  18 o 25.135  9.8670  78.948     87.879   83.018     93.368   47.354     260.142  25.675  10.141  30.320  14.185  -4.645235      17.43714 
1 1 1 -7  43  19 o 24.743  9.8146  75.861     87.795   77.720     93.196   61.200     261.695  25.116  10.063  30.250  14.176  -5.133467      17.38412 
1 1 1 -7  43  20 f 23.541  9.4464  66.002     82.269   2.5736     87.087   592.189    250.831  19.897  8.8764  49.293  17.133  -29.39606      19.29580 
1 1 1 -7  44  1  o 40.461  8.3313  225.332    79.069   232.574    169.124  223.307    89.446   38.388  13.990  39.659  9.4327  -1.270245      16.87260 
1 1 1 -7  44  2  o 20.778  8.3246  37.462     63.779   268.645    143.946  -19.0103   71.144   41.065  12.938  17.694  7.9488  23.37126       15.18499 
1 1 1 -7  44  3  o 29.081  10.284  116.527    90.624   116.527    90.624   0.0000     0.0000   29.081  10.284  ?       ?       0.000000       10.28426 
1 1 1 -7  44  4  o 44.791  9.6757  290.003    102.084  290.003    102.084  0.0000     0.0000   44.791  9.6757  ?       ?       0.000000       9.675709 
1 1 1 -7  44  5  o 43.920  6.9320  258.824    71.422   343.487    110.673  198.399    93.498   48.677  9.7107  36.454  10.180  12.22283       14.06873 
1 1 1 -7  44  6  o 22.476  8.3992  60.410     61.622   111.473    103.784  32.606     76.583   28.613  10.855  21.322  8.8953  7.290880       14.03399 
1 1 1 -7  44  7  o 56.889  6.1517  425.879    83.564   383.742    125.021  459.907    112.347  50.385  10.564  57.406  8.3071  -7.021233      13.43883 
1 1 1 -7  44  8  o 58.630  5.9860  451.561    83.964   412.435    123.840  484.848    114.227  52.586  10.073  58.897  8.2168  -6.311478      12.99888 
1 1 1 -7  44  9  o 26.479  9.2297  98.814     72.818   98.587     175.889  98.861     79.995   29.699  12.955  26.623  9.6336  3.076361       16.14457 
1 1 1 -7  44  10 o 50.963  6.1606  344.872    74.634   352.469    107.812  337.881    103.421  48.895  9.4291  48.049  9.2060  0.8468361      13.17790 
1 1 1 -7  44  11 o 29.294  9.5263  127.696    77.583   124.948    180.926  128.315    85.879   30.716  13.270  29.280  10.033  1.435575       16.63600 
1 1 1 -7  44  12 o 53.223  9.1117  412.288    113.438  0.0000     0.0000   412.288    113.438  ?       ?       53.223  9.1117  0.000000       9.111742 
1 1 1 -7  44  13 o 14.335  6.5557  -23.9609   51.079   39.012     81.153   -65.2762   65.733   21.867  9.1427  14.436  6.8665  7.430911       11.43404 
1 1 1 -7  44  14 o 31.297  8.2449  141.355    63.485   203.152    95.091   91.662     85.272   36.150  10.327  26.083  9.8527  10.06744       14.27305 
1 1 1 -7  44  15 o 36.674  7.8080  190.259    67.349   299.802    98.056   92.436     92.663   45.078  9.2744  26.350  10.191  18.72768       13.77931 
1 1 1 -7  44  16 o 43.734  10.562  299.600    110.815  357.255    121.105  2.9308     274.714  47.757  10.715  29.517  14.039  18.24003       17.66058 
1 1 1 -7  44  17 o 20.627  9.0369  15.067     86.412   -20.6979   92.656   253.936    239.455  19.380  8.8500  35.380  15.276  -15.99986      17.65398 
1 1 1 -7  44  18 o 14.468  6.9217  -71.6068   68.854   -22.2569   71.745   -647.1463  245.011  17.029  7.7806  19.145  9.7322  -2.116545      12.46007 
1 1 1 -7  45  1  o 20.639  7.6974  48.384     51.707   -14.4242   89.513   79.836     63.343   19.901  8.9299  24.664  8.6077  -4.762653      12.40304 
1 1 1 -7  45  2  o 24.666  9.8481  65.655     88.927   65.655     88.927   0.0000     0.0000   24.666  9.8481  ?       ?       0.000000       9.848137 
1 1 1 -7  45  3  o 41.530  10.588  262.679    107.019  262.679    107.019  0.0000     0.0000   41.530  10.588  ?       ?       0.000000       10.58813 
1 1 1 -7  45  4  o 37.898  7.3605  197.879    65.245   145.500    104.057  231.814    83.755   31.077  11.017  40.099  8.8456  -9.022594      14.12857 
1 1 1 -7  45  5  o 22.281  8.2040  61.846     58.377   150.887    98.811   14.105     72.353   31.389  10.762  19.507  8.4096  11.88209       13.65822 
1 1 1 -7  45  6  o 45.438  6.8671  280.341    73.348   284.378    113.794  277.472    95.936   42.385  10.977  43.273  9.4054  -0.8887215     14.45563 
1 1 1 -7  45  7  o 31.844  8.4643  147.884    66.523   211.723    105.342  105.538    85.795   36.277  11.006  27.197  9.9560  9.079840       14.84126 
1 1 1 -7  45  8  o 16.961  7.3134  7.6708     54.746   -41.5035   100.308  28.533     65.335   19.306  8.9565  19.697  8.2167  -0.3912182     12.15456 
1 1 1 -7  45  9  o 31.652  8.3298  146.114    64.843   130.328    90.881   162.482    92.544   29.281  10.305  32.166  10.400  -2.884644      14.64060 
1 1 1 -7  45  10 o 13.733  6.5120  -55.7254   58.252   -70.9904   159.832  -53.3872   62.554   22.848  10.820  14.459  6.8238  8.389485       12.79245 
1 1 1 -7  45  11 o 23.344  9.0526  66.678     73.270   0.0000     0.0000   66.678     73.270   ?       ?       23.344  9.0526  0.000000       9.052609 
1 1 1 -7  45  12 o 29.427  8.1107  125.256    59.774   154.007    87.490   100.088    81.856   31.546  10.103  26.573  9.7252  4.973213       14.02298 
1 1 1 -7  45  13 o 56.446  5.7399  419.411    77.520   413.408    112.225  424.889    107.208  53.200  9.0158  54.572  8.3630  -1.371979      12.29735 
1 1 1 -7  45  14 o 30.125  10.776  141.875    99.778   125.295    107.723  241.999    264.715  28.876  11.034  34.986  15.550  -6.110102      19.06732 
1 1 1 -7  45  15 o 18.167  8.2561  -17.4437   79.408   1.1473     82.958   -220.8378  274.395  19.487  8.6807  25.244  12.453  -5.756784      15.17982 
1 1 1 -7  45  16 o 19.149  8.6334  -6.5659    84.801   57.054     90.016   -508.4561  252.828  23.232  9.6638  20.707  10.460  2.524731       14.24062 
1 1 1 -7  46  1  o 35.621  10.782  197.943    101.174  197.943    101.174  0.0000     0.0000   35.621  10.782  ?       ?       0.000000       10.78186 
1 1 1 -7  46  2  f 63.544  7.8609  559.345    118.617  559.345    118.617  0.0000     0.0000   63.544  7.8609  ?       ?       0.000000       7.860932 
1 1 1 -7  46  3  o 39.396  7.0392  213.292    64.820   293.178    102.871  160.689    83.476   44.036  9.8718  32.472  9.7857  11.56389       13.90006 
1 1 1 -7  46  4  o 16.480  7.2330  -0.3684    55.572   3.5539     101.350  -2.0546    66.452   21.366  9.5506  17.704  7.8338  3.662212       12.35242 
1 1 1 -7  46  5  o 17.750  7.5989  12.964     58.316   -32.4957   99.955   36.422     71.802   19.579  9.0327  20.804  8.6405  -1.225245      12.49994 
1 1 1 -7  46  6  o 33.544  8.4031  165.171    68.251   212.556    109.271  134.860    87.396   35.775  11.273  29.572  10.122  6.203697       15.15008 
1 1 1 -7  46  7  o 39.198  8.0782  221.195    74.277   308.565    114.033  156.810    97.892   43.873  10.787  31.306  10.712  12.56696       15.20264 
1 1 1 -7  46  8  o 32.840  8.3136  158.240    66.308   174.491    99.421   145.221    88.991   32.797  10.790  30.446  10.215  2.351553       14.85788 
1 1 1 -7  46  9  o 31.643  9.4779  153.732    78.484   -49.4178   185.831  197.834    86.585   24.668  11.678  35.730  9.7263  -11.06126      15.19791 
1 1 1 -7  46  10 f 28.348  9.5363  120.969    77.567   0.0000     0.0000   120.969    77.567   ?       ?       28.348  9.5363  0.000000       9.536325 
1 1 1 -7  46  11 o 24.798  8.4317  87.116     60.644   86.202     101.298  87.626     75.711   25.911  10.452  25.160  9.3280  0.7515621      14.00932 
1 1 1 -7  46  12 o 60.033  9.1332  532.654    128.843  520.690    141.614  590.151    310.453  57.768  10.489  44.929  18.237  12.83890       21.03831 
1 1 1 -7  46  13 o 32.894  11.016  179.875    103.497  188.148    110.636  121.913    292.852  33.322  11.388  31.358  14.788  1.963930       18.66525 
1 1 1 -7  46  14 o 28.878  10.752  133.055    100.800  102.268    107.576  354.592    288.574  26.763  10.780  36.559  16.243  -9.795912      19.49505 
1 1 1 -7  46  15 o 14.847  6.7406  -15.8470   52.766   -53.0345   84.408   8.0072     67.603   16.871  7.9513  18.118  7.9640  -1.246601      11.25381 
1 1 1 -7  47  1  o 25.554  10.171  83.325     94.586   83.325     94.586   0.0000     0.0000   25.554  10.171  ?       ?       0.000000       10.17108 
1 1 1 -7  47  2  o 45.841  6.6274  286.140    71.575   358.603    110.519  233.789    93.937   48.604  9.7110  38.756  9.9410  9.847988       13.89697 
1 1 1 -7  47  3  o 21.862  7.9311  62.536     54.269   4.1976     93.400   92.270     66.680   20.549  9.1782  25.360  8.8326  -4.811140      12.73785 
1 1 1 -7  47  4  o 23.045  8.8225  68.085     68.953   8.7032     103.310  115.790    92.597   21.503  9.6248  27.721  10.308  -6.218279      14.10315 
1 1 1 -7  47  5  o 49.192  7.1646  336.490    83.006   358.516    119.101  315.686    115.746  47.355  10.627  44.006  10.897  3.348682       15.22089 
1 1 1 -7  47  6  o 61.077  6.1295  500.106    89.611   488.253    128.032  511.488    125.466  56.666  9.6581  58.649  9.1124  -1.983040      13.27829 
1 1 1 -7  47  7  o 38.180  8.3088  213.641    74.786   207.143    113.773  218.584    99.238   34.731  11.548  36.618  10.577  -1.886784      15.65955 
1 1 1 -7  47  8  o 38.207  9.1495  221.383    83.700   535.606    183.956  139.347    93.993   53.242  14.039  29.670  10.476  23.57188       17.51672 
1 1 1 -7  47  9  o 24.186  11.974  -249.5766  262.102  0.0000     0.0000   -249.5766  262.102  ?       ?       24.186  11.974  0.000000       11.97429 
1 1 1 -7  47  10 o 23.322  9.7817  55.392     93.338   77.408     98.856   -125.4631  283.333  25.002  10.236  26.628  13.039  -1.626730      16.57641 
1 1 1 -7  47  11 o 27.217  10.748  109.562    104.854  109.562    104.854  0.0000     0.0000   27.217  10.748  ?       ?       0.000000       10.74805 
1 1 1 -7  47  12 o 42.491  10.871  301.075    112.537  253.530    122.215  566.124    288.558  37.484  11.934  43.097  17.548  -5.612679      21.22145 
1 1 1 -7  47  13 o 17.073  7.2904  15.285     53.426   86.492     83.350   -34.3735   69.605   24.674  9.6311  15.975  7.4281  8.699152       12.16281 
1 1 1 -7  48  1  o 14.880  6.9193  -35.6876   60.407   -123.7666  89.832   37.012     81.614   15.241  7.4365  21.349  9.0603  -6.107985      11.72140 
1 1 1 -7  48  2  o 15.410  7.0429  -21.4743   58.829   -30.3332   89.847   -14.8260   77.834   18.465  8.5347  17.992  8.1755  0.4726677      11.81860 
1 1 1 -7  48  3  o 57.358  6.3929  447.182    87.459   432.535    123.879  461.738    123.493  52.528  10.086  54.854  9.6296  -2.325626      13.94481 
1 1 1 -7  48  4  o 31.433  9.1592  153.049    74.130   199.945    108.180  111.537    101.783  34.090  11.257  27.242  10.640  6.848131       15.48985 
1 1 1 -7  48  5  o 43.453  8.0014  273.608    81.255   329.528    118.307  223.675    111.794  44.570  11.005  35.913  11.411  8.656097       15.85368 
1 1 1 -7  48  6  o 20.516  8.3337  42.965     64.884   61.811     98.277   28.404     86.387   23.869  10.026  21.128  9.1484  2.741907       13.57224 
1 1 1 -7  48  7  o 29.704  14.277  55.014     300.661  0.0000     0.0000   55.014     300.661  ?       ?       29.704  14.277  0.000000       14.27733 
1 1 1 -7  48  8  o 34.928  16.031  312.814    309.247  0.0000     0.0000   312.814    309.247  ?       ?       34.928  16.031  0.000000       16.03120 
1 1 1 -7  48  9  o 34.158  11.531  206.421    113.413  206.421    113.413  0.0000     0.0000   34.158  11.531  ?       ?       0.000000       11.53094 
1 1 1 -7  48  10 o 36.688  9.8070  217.097    88.980   227.896    93.028   101.048    304.970  37.378  10.043  29.805  14.339  7.573170       17.50609 
1 1 1 -7  48  11 o 31.306  7.7687  145.746    58.733   73.624     88.664   202.139    78.402   23.754  9.7059  35.924  9.0103  -12.16979      13.24350 
1 1 1 -7  49  1  o 35.354  8.2765  186.780    69.745   188.892    102.322  184.947    95.319   33.143  10.948  33.176  10.537  -0.3300095E-01 15.19483 
1 1 1 -7  49  2  o 52.083  6.6176  374.276    81.742   395.354    117.177  354.296    114.086  49.937  10.019  46.836  10.318  3.101357       14.38173 
1 1 1 -7  49  3  o 40.510  8.1764  242.161    77.599   298.200    114.676  194.829    105.393  41.842  11.109  33.501  11.113  8.341503       15.71370 
1 1 1 -7  49  4  o 82.136  8.9497  1010.09    175.476  997.429    202.006  1049.02    354.215  78.199  10.946  55.822  20.261  22.37676       23.02858 
1 1 1 -7  49  5  o 24.052  10.575  50.154     119.234  152.402    129.574  -514.8858  304.600  29.830  11.895  22.429  11.343  7.401157       16.43624 
1 1 1 -7  49  6  o 35.066  16.015  345.861    303.549  0.0000     0.0000   345.861    303.549  ?       ?       35.066  16.015  0.000000       16.01516 
1 1 1 -7  49  7  o 23.891  11.878  -229.7108  268.429  0.0000     0.0000   -229.7108  268.429  ?       ?       23.891  11.878  0.000000       11.87796 
1 1 1 -7  49  8  o 17.398  7.5777  10.861     59.971   -45.0825   85.552   64.908     84.090   17.176  8.0670  22.965  9.4257  -5.788763      12.40651 
1 1 1 -7  49  9  o 41.993  7.3768  255.548    72.422   257.619    100.953  253.351    103.953  38.834  10.474  38.106  10.767  0.7279358      15.02083 
1 1 1 -7  49  10 o 24.139  8.7250  88.928     65.590   133.642    88.868   35.429     97.208   27.960  10.148  21.498  9.4955  6.462244       13.89787 
1 1 1 -7  50  1  f 34.315  11.729  216.912    117.366  255.861    133.279  82.395     247.687  36.288  12.496  28.396  13.454  7.892426       18.36185 
1 1 1 -7  50  2  f 44.096  11.845  348.509    129.433  343.177    144.581  370.029    290.464  41.944  12.927  35.423  15.974  6.520748       20.54885 
1 1 1 -7  50  3  o 27.936  11.256  127.144    117.325  140.143    126.831  50.050     308.873  28.753  11.662  28.705  13.958  0.4792786E-01  18.18828 
1 1 1 -7  50  4  o 27.763  11.375  125.077    122.215  153.081    135.208  0.0094     285.734  29.397  11.996  27.408  13.349  1.989012       17.94685 
1 1 1 -7  50  5  o 22.765  9.2820  65.026     80.871   183.251    161.209  25.269     93.485   30.598  12.845  21.028  9.2987  9.570187       15.85791 
1 1 1 -7  50  6  o 33.280  11.021  200.028    103.658  0.0000     0.0000   200.028    103.658  ?       ?       33.280  11.021  0.000000       11.02063 
1 1 1 -7  50  7  o 43.300  7.1266  270.558    72.268   222.199    97.892   328.484    107.138  35.464  10.577  44.237  10.191  -8.772934      14.68768 
1 1 1 -7  50  8  o 17.115  7.5092  10.862     59.857   -46.6318   81.500   78.195     88.199   16.408  7.7574  23.460  9.6440  -7.052401      12.37672 
1 1 1 -7  51  1  o 41.121  11.861  313.423    124.871  428.821    141.613  -89.8962   264.745  48.369  12.097  25.203  12.394  23.16666       17.31898 
1 1 1 -7  51  2  o 22.185  9.6343  45.845     96.363   29.420     102.360  173.826    285.723  21.666  9.6476  29.880  14.241  -8.214396      17.20138 
1 1 1 -7  51  3  o 42.404  8.0198  269.405    79.493   329.432    114.562  213.667    110.394  43.448  10.889  33.787  11.377  9.661232       15.74764 
1 1 1 -7  51  4  o 15.575  7.4054  -56.0782   76.312   0.0000     0.0000   -56.0782   76.312   ?       ?       15.575  7.4054  0.000000       7.405379 
1 1 1 -7  51  5  o 23.638  9.9131  77.975     95.841   0.0000     0.0000   77.975     95.841   ?       ?       23.638  9.9131  0.000000       9.913108 
1 1 1 -7  51  6  o 16.615  7.5478  -6.2755    66.295   35.512     103.916  -34.9572   86.091   21.444  9.6218  17.171  8.0736  4.272079       12.56040 
1 1 1 -7  52  1  o 18.161  7.6869  26.887     58.493   -21.4537   102.968  49.919     71.075   19.220  8.9694  20.786  8.6118  -1.565550      12.43438 
1 1 1 -7  52  2  o 29.197  9.0464  141.373    70.701   215.776    117.411  99.046     88.556   32.682  11.690  24.834  9.8552  7.847292       15.28992 
1 1 1 -7  52  3  o 14.526  6.9327  -55.0316   68.190   0.0000     0.0000   -55.0316   68.190   ?       ?       14.526  6.9327  0.000000       6.932699 
1 1 1 -7  52  4  f 20.782  9.1438  41.665     89.307   0.0000     0.0000   41.665     89.307   ?       ?       20.782  9.1438  0.000000       9.143835 
1 1 1 -7  53  1  o 15.934  7.2874  -9.6829    63.136   -103.0246  185.785  2.5045     67.132   20.903  10.299  17.003  7.6722  3.899529       12.84248 
1 1 1 -6  -59 24 o 21.678  9.3015  89.891     87.728   215.482    255.622  73.124     93.401   23.774  11.780  20.763  9.2324  3.010654       14.96691 
1 1 1 -6  -59 25 o 13.213  6.4848  -82.8889   71.367   389.807    258.073  -122.0314  74.264   26.668  12.918  12.477  6.2105  14.19083       14.33345 
1 1 1 -6  -59 26 o 14.692  6.8642  -15.4400   60.588   -21.8217   89.638   -10.0720   82.211   16.723  7.9719  16.674  7.8551  0.4843903E-01  11.19174 
1 1 1 -6  -59 27 o 20.128  8.3051  65.118     65.711   75.077     95.728   56.244     90.364   21.150  9.3783  20.095  8.9978  1.054607       12.99671 
1 1 1 -6  -59 28 o 20.694  8.4962  71.419     68.347   42.441     97.508   99.408     95.829   19.708  9.0293  22.530  9.6956  -2.822336      13.24891 
1 1 1 -6  -59 29 o 17.669  7.7718  30.321     64.468   40.977     94.316   20.977     88.321   19.579  8.9362  18.441  8.5020  1.137638       12.33447 
1 1 1 -6  -59 30 o 13.649  6.5130  -39.0521   60.129   -92.7653   88.823   6.3850     81.694   14.645  7.1973  17.462  8.0947  -2.816890      10.83172 
1 1 1 -6  -59 31 o 31.254  8.9621  180.735    71.486   135.551    105.182  219.522    97.453   24.590  10.352  31.312  10.688  -6.722475      14.87980 
1 1 1 -6  -59 32 o 27.620  9.0976  146.137    70.674   182.141    100.413  110.793    99.490   27.984  10.663  23.298  9.9486  4.686001       14.58300 
1 1 1 -6  -59 33 f 28.671  11.136  204.097    111.003  204.097    111.003  0.0000     0.0000   28.671  11.136  ?       ?       0.000000       11.13569 
1 1 1 -6  -59 34 o 16.613  7.8414  -16.2899   82.654   -18.1665   92.755   -9.0542    182.133  17.211  8.1777  20.714  10.204  -3.502972      13.07688 
1 1 1 -6  -59 35 o 15.574  7.0503  4.7990     57.226   -11.9379   98.842   13.238     70.185   17.774  8.4439  17.074  7.7603  0.6992836      11.46826 
1 1 1 -6  -59 36 o 18.823  8.7971  16.620     99.636   -3.9585    118.692  65.722     183.341  18.944  9.0696  22.093  10.745  -3.148787      14.06107 
1 1 1 -6  -59 37 o 23.347  10.0000 113.375    101.089  110.176    117.434  122.526    198.638  23.023  10.287  23.252  11.280  -0.2287788     15.26630 
1 1 1 -6  -59 38 f 20.461  9.4145  53.314     107.566  -57.4481   124.829  372.770    211.995  17.769  8.6906  28.878  13.261  -11.10930      15.85514 
1 1 1 -6  -59 39 o 19.947  9.2320  43.067     105.645  66.293     122.872  -22.7820   206.889  21.184  9.8565  20.750  10.334  0.4345188      14.28088 
1 1 1 -6  -59 40 o 20.371  9.3498  55.582     105.191  143.382    124.738  -160.5818  195.724  24.162  10.710  18.637  9.3881  5.524664       14.24222 
1 1 1 -6  -59 41 o 18.528  8.7606  9.8283     104.007  -41.3961   122.976  138.529    194.926  17.892  8.7238  23.143  11.215  -5.250727      14.20813 
1 1 1 -6  -58 19 o 19.482  8.7331  45.230     85.383   66.661     223.755  41.578     92.373   22.370  11.073  19.547  8.8913  2.822744       14.20107 
1 1 1 -6  -58 20 o 12.012  5.9964  -133.6950  71.365   6.2130     205.364  -152.9107  76.108   21.470  10.624  12.093  6.0598  9.376406       12.23085 
1 1 1 -6  -58 21 o 21.177  9.2473  70.127     89.820   -146.2994  223.003  112.035    98.131   19.992  10.064  23.631  9.9767  -3.639856      14.17102 
1 1 1 -6  -58 22 o 13.533  6.6711  -103.8033  78.252   -215.6546  234.255  -89.7546   83.021   19.674  9.9500  14.366  7.0394  5.308012       12.18829 
1 1 1 -6  -58 23 o 20.909  9.1977  61.764     90.316   282.925    264.978  32.694     96.068   26.520  12.903  19.679  8.9963  6.840614       15.72939 
1 1 1 -6  -58 24 o 17.367  8.1185  -8.2673    84.925   211.112    256.889  -35.1850   89.984   25.611  12.514  16.717  7.9740  8.894833       14.83856 
1 1 1 -6  -58 25 o 18.342  8.4633  9.3207     87.790   439.047    240.991  -56.4318   94.267   31.086  14.225  16.382  7.9031  14.70436       16.27289 
1 1 1 -6  -58 26 o 19.925  9.1198  31.512     99.143   482.421    226.740  -75.0772   110.240  33.623  14.687  17.010  8.2862  16.61312       16.86318 
1 1 1 -6  -58 27 o 17.960  8.3286  0.6789     86.605   -171.6242  215.985  33.690     94.538   20.013  10.053  19.862  9.0194  0.1503658      13.50573 
1 1 1 -6  -58 28 o 41.708  11.497  364.952    120.102  57.426     248.482  458.698    137.192  23.669  11.708  46.020  12.119  -22.35094      16.85064 
1 1 1 -6  -58 29 o 42.166  12.765  421.224    141.802  0.0000     0.0000   421.224    141.802  ?       ?       42.166  12.765  0.000000       12.76465 
1 1 1 -6  -58 30 o 27.382  11.020  167.502    112.334  0.0000     0.0000   167.502    112.334  ?       ?       27.382  11.020  0.000000       11.02038 
1 1 1 -6  -58 31 o 27.381  13.089  266.265    245.106  266.265    245.106  0.0000     0.0000   27.381  13.089  ?       ?       0.000000       13.08870 
1 1 1 -6  -58 32 o 16.675  7.9152  -33.2486   86.498   -33.2486   86.498   0.0000     0.0000   16.675  7.9152  ?       ?       0.000000       7.915182 
1 1 1 -6  -58 33 f 14.837  6.8226  -11.5129   56.378   -115.3994  83.569   75.262     76.377   13.909  6.8633  21.789  8.9678  -7.880449      11.29277 
1 1 1 -6  -58 34 o 20.307  8.0251  61.214     58.495   105.721    93.229   32.317     75.122   23.941  9.8865  18.914  8.3511  5.027563       12.94157 
1 1 1 -6  -58 35 o 19.044  7.6824  48.808     54.725   26.412     94.300   60.180     67.198   19.608  8.9439  20.445  8.4128  -0.8378792     12.27876 
1 1 1 -6  -58 36 o 48.622  6.8803  355.491    78.905   319.633    118.294  384.233    105.908  38.287  11.674  46.376  9.7226  -8.088615      15.19242 
1 1 1 -6  -58 37 o 26.071  8.8635  121.428    67.016   67.954     100.833  163.737    89.691   21.790  9.6454  28.435  10.212  -6.645269      14.04729 
1 1 1 -6  -58 38 o 24.769  9.0031  110.436    69.979   140.516    107.326  88.190     92.297   25.801  10.626  22.747  9.6433  3.054489       14.34945 
1 1 1 -6  -58 39 o 23.030  8.7200  91.409     66.893   63.093     104.420  111.117    87.115   21.566  9.6632  24.268  9.7268  -2.701950      13.71087 
1 1 1 -6  -58 40 o 23.136  11.206  65.978     194.088  0.0000     0.0000   65.978     194.088  ?       ?       23.136  11.206  0.000000       11.20587 
1 1 1 -6  -58 41 o 25.798  12.224  190.516    204.592  0.0000     0.0000   190.516    204.592  ?       ?       25.798  12.224  0.000000       12.22445 
1 1 1 -6  -58 42 o 21.444  10.548  -11.1787   192.100  0.0000     0.0000   -11.1787   192.100  ?       ?       21.444  10.548  0.000000       10.54752 
1 1 1 -6  -58 43 o 21.005  9.3581  61.455     96.449   95.247     108.130  -70.0804   213.335  22.849  10.057  20.886  10.417  1.962769       14.47945 
1 1 1 -6  -58 44 o 16.396  7.9314  -55.8225   96.512   15.405     112.010  -261.1133  190.160  19.524  9.1889  17.739  8.9708  1.784706       12.84175 
1 1 1 -6  -58 45 o 16.155  7.7909  -49.1842   91.383   12.805     103.557  -267.3282  194.264  18.967  8.8975  17.721  8.9725  1.246046       12.63617 
1 1 1 -6  -57 15 o 11.907  5.8283  -75.4554   56.482   -68.2701   94.236   -79.4837   70.560   15.873  7.7163  13.422  6.5583  2.450726       10.12683 
1 1 1 -6  -57 16 o 28.265  9.1021  148.074    70.943   144.525    113.248  150.366    91.015   25.500  10.739  26.843  10.170  -1.343006      14.79000 
1 1 1 -6  -57 17 o 18.544  7.9976  36.814     65.489   41.891     104.350  33.515     84.117   20.554  9.3882  19.323  8.6646  1.230190       12.77553 
1 1 1 -6  -57 18 o 15.095  7.0055  -16.5672   61.443   -44.8792   99.461   0.9057     78.136   17.209  8.2557  17.424  8.0198  -0.2155762     11.50969 
1 1 1 -6  -57 19 o 16.314  7.4066  1.1904     63.711   49.822     103.401  -28.5715   80.890   21.101  9.5214  16.431  7.7562  4.669275       12.28069 
1 1 1 -6  -57 20 o 21.981  9.2470  74.305     83.819   449.933    237.590  20.909     89.579   32.859  14.660  19.233  8.7514  13.62568       17.07346 
1 1 1 -6  -57 21 o 18.094  8.1411  15.482     74.954   20.090     240.888  14.988     78.869   23.572  11.635  18.339  8.2916  5.233183       14.28751 
1 1 1 -6  -57 22 o 20.565  8.3234  60.135     64.469   46.136     95.352   71.924     87.500   20.843  9.2941  22.031  9.3667  -1.188032      13.19529 
1 1 1 -6  -57 23 o 15.052  6.9471  -15.5794   59.217   68.958     90.611   -78.6022   78.236   21.972  9.4411  14.539  7.0591  7.433036       11.78836 
1 1 1 -6  -57 24 o 13.536  6.3795  -33.9487   54.329   -64.7318   79.573   -7.0678    74.358   15.140  7.2936  16.979  7.8180  -1.838908      10.69198 
1 1 1 -6  -57 25 o 21.080  8.4226  65.044     65.095   70.177     96.363   60.736     88.283   22.265  9.6516  21.490  9.2767  0.7756596      13.38697 
1 1 1 -6  -57 26 o 27.226  9.1315  130.566    71.119   73.359     94.213   206.347    108.435  22.420  9.6300  31.187  11.226  -8.767260      14.79052 
1 1 1 -6  -57 27 o 38.308  8.7459  243.075    79.506   207.181    107.626  286.193    117.960  31.366  11.195  36.654  11.730  -5.287813      16.21491 
1 1 1 -6  -57 28 o 25.467  9.4552  115.144    77.844   -17.0935   105.076  276.005    115.892  18.861  8.8839  36.117  11.634  -17.25594      14.63800 
1 1 1 -6  -57 29 o 23.975  10.071  97.287     99.179   124.630    214.545  89.856     111.847  25.701  12.274  23.696  10.334  2.004707       16.04532 
1 1 1 -6  -57 30 o 26.700  12.870  171.155    248.747  171.155    248.747  0.0000     0.0000   26.700  12.870  ?       ?       0.000000       12.87043 
1 1 1 -6  -57 31 o 23.977  11.694  32.401     221.436  32.401     221.436  0.0000     0.0000   23.977  11.694  ?       ?       0.000000       11.69412 
1 1 1 -6  -57 32 o 17.650  8.1020  -2.7443    79.030   -200.1599  214.382  28.303     85.018   20.321  10.181  19.618  8.7598  0.7036057      13.43076 
1 1 1 -6  -57 33 o 18.312  8.1734  17.476     73.934   202.746    220.986  -5.8755    78.455   27.578  12.956  17.457  8.0352  10.12103       15.24583 
1 1 1 -6  -57 34 o 17.207  7.8136  1.6314     70.953   150.413    215.703  -16.4201   75.135   26.359  12.508  16.684  7.7441  9.675661       14.71164 
1 1 1 -6  -57 35 o 14.272  6.9095  -73.9888   73.596   -245.9615  189.352  -43.3871   79.876   18.764  9.4237  15.998  7.5976  2.765815       12.10496 
1 1 1 -6  -57 36 o 28.564  8.8894  140.145    68.184   146.509    101.139  134.843    92.317   27.254  10.617  26.686  10.210  0.5686436      14.73006 
1 1 1 -6  -57 37 o 30.448  8.8876  158.485    69.744   168.007    104.908  150.943    93.364   28.640  10.902  27.906  10.356  0.7337589      15.03662 
1 1 1 -6  -57 38 o 34.969  8.3636  198.880    70.009   173.911    103.062  220.273    95.398   29.163  10.869  33.816  10.513  -4.652670      15.12179 
1 1 1 -6  -57 39 o 22.639  9.4655  78.730     86.985   0.0000     0.0000   78.730     86.985   ?       ?       22.639  9.4655  0.000000       9.465481 
1 1 1 -6  -57 40 o 17.652  8.0964  -1.3247    78.701   0.0000     0.0000   -1.3247    78.701   ?       ?       17.652  8.0964  0.000000       8.096354 
1 1 1 -6  -57 41 f 14.312  6.8111  -45.5186   64.846   0.0000     0.0000   -45.5186   64.846   ?       ?       14.312  6.8111  0.000000       6.811109 
1 1 1 -6  -57 42 o 19.553  8.7879  27.060     87.066   35.726     97.679   -6.4464    192.066  20.508  9.2541  22.446  10.935  -1.937983      14.32530 
1 1 1 -6  -57 43 o 22.499  9.7980  74.929     100.228  25.614     115.833  221.858    199.939  20.808  9.6432  27.869  12.828  -7.061052      16.04808 
1 1 1 -6  -57 44 o 20.847  9.4994  38.351     106.023  62.979     122.475  -35.2913   211.786  22.378  10.202  22.200  10.949  0.1777592      14.96562 
1 1 1 -6  -57 45 o 24.129  10.404  107.226    110.773  125.256    131.320  62.749     206.251  24.956  11.029  23.687  11.492  1.269384       15.92816 
1 1 1 -6  -57 46 o 27.425  10.951  165.539    109.984  118.303    128.313  296.358    213.536  24.486  10.858  28.963  13.304  -4.477152      17.17183 
1 1 1 -6  -57 47 o 23.460  10.282  100.474    111.936  101.671    132.440  97.480     209.431  23.599  10.700  23.961  11.614  -0.3624668     15.79228 
1 1 1 -6  -56 12 o 18.680  8.1278  35.622     68.847   -0.1392    122.893  51.980     83.114   19.818  9.4152  20.334  8.8868  -0.5161057     12.94686 
1 1 1 -6  -56 13 o 17.349  7.6599  19.155     63.193   21.991     103.560  17.473     79.765   19.911  9.1888  18.417  8.3318  1.493404       12.40380 
1 1 1 -6  -56 14 o 19.898  8.2404  52.175     65.033   22.169     104.988  70.856     82.839   20.123  9.2744  21.795  9.1821  -1.672737      13.05089 
1 1 1 -6  -56 15 o 33.281  8.7563  187.365    71.664   115.896    114.064  233.975    92.115   24.887  10.640  35.318  10.187  -10.43105      14.73046 
1 1 1 -6  -56 16 o 44.038  7.7492  300.544    79.779   391.745    123.439  235.121    104.549  44.736  11.353  34.004  11.059  10.73192       15.84874 
1 1 1 -6  -56 17 o 15.087  6.9885  -19.6274   60.723   -143.2792  97.852   57.808     77.436   14.780  7.3175  21.038  8.8711  -6.257729      11.49967 
1 1 1 -6  -56 18 o 12.808  6.2003  -67.7722   59.240   -68.6822   97.236   -67.2351   74.705   16.701  8.0498  14.654  7.0613  2.047283       10.70802 
1 1 1 -6  -56 19 o 16.332  7.3757  -0.7686    62.201   28.462     99.906   -19.2714   79.486   20.548  9.3076  17.020  7.9218  3.528723       12.22238 
1 1 1 -6  -56 20 o 13.874  6.6206  -50.8010   62.156   -24.1285   96.710   -69.5725   81.131   18.217  8.5627  15.275  7.3600  2.942494       11.29118 
1 1 1 -6  -56 21 o 37.618  8.2029  223.941    72.762   197.676    103.853  249.264    101.976  31.407  11.018  36.126  10.800  -4.719301      15.42841 
1 1 1 -6  -56 22 o 20.101  8.2666  50.339     64.840   -6.3802    94.560   100.676    89.081   18.794  8.7110  24.472  9.8262  -5.677816      13.13151 
1 1 1 -6  -56 23 o 50.782  6.6847  373.378    80.366   382.820    119.056  365.473    108.928  45.553  10.914  45.778  10.079  -0.2248116     14.85668 
1 1 1 -6  -56 24 o 50.053  6.8136  364.855    80.599   399.904    119.269  335.396    109.346  47.006  10.698  43.030  10.553  3.975460       15.02701 
1 1 1 -6  -56 25 o 17.968  7.7831  23.439     62.568   -37.1895   90.890   78.048     86.260   17.337  8.1951  22.892  9.4862  -5.555613      12.53584 
1 1 1 -6  -56 26 o 15.658  7.1591  -11.0445   60.869   -63.4202   89.247   34.507     83.230   16.283  7.8138  20.065  8.8279  -3.781956      11.78928 
1 1 1 -6  -56 27 o 13.722  6.5471  -50.7797   60.730   -66.1198   85.733   -35.3302   86.038   15.870  7.6270  17.000  8.0168  -1.130185      11.06528 
1 1 1 -6  -56 28 o 27.592  9.0251  129.620    69.597   54.732     92.515   227.254    105.634  21.652  9.4214  33.835  11.121  -12.18340      14.57556 
1 1 1 -6  -56 29 o 22.897  9.6041  76.813     89.990   76.813     89.990   0.0000     0.0000   22.897  9.6041  ?       ?       0.000000       9.604104 
1 1 1 -6  -56 30 o 29.354  10.091  158.762    86.889   158.436    96.780   160.116    197.293  28.757  10.567  27.229  12.607  1.528061       16.44980 
1 1 1 -6  -56 31 o 20.860  8.1119  61.512     58.960   52.467     90.196   68.261     77.910   21.441  9.3159  22.004  9.0568  -0.5628548     12.99279 
1 1 1 -6  -56 32 o 30.415  8.1997  148.400    61.891   209.355    103.350  114.320    77.280   32.554  11.007  25.766  9.4464  6.788956       14.50511 
1 1 1 -6  -56 33 o 19.330  8.1108  40.359     64.219   72.789     96.760   14.828     85.855   22.854  9.7864  19.205  8.6701  3.649218       13.07452 
1 1 1 -6  -56 34 o 31.056  10.745  186.756    98.595   227.527    198.235  173.356    113.648  29.386  13.229  29.156  11.283  0.2299175      17.38721 
1 1 1 -6  -56 35 o 13.886  6.7406  -80.9129   71.214   -281.0630  162.215  -33.1281   79.261   17.181  8.6404  16.505  7.7558  0.6761684      11.61074 
1 1 1 -6  -56 36 o 16.760  7.7952  -21.8192   76.733   -129.6281  154.058  13.751     88.491   19.153  9.4257  19.355  8.7641  -0.2019081     12.87065 
1 1 1 -6  -56 37 o 33.270  10.506  207.122    94.870   187.926    189.500  213.542    109.593  28.294  12.817  32.474  11.323  -4.179440      17.10220 
1 1 1 -6  -56 38 o 34.159  11.497  237.641    112.749  0.0000     0.0000   237.641    112.749  ?       ?       34.159  11.497  0.000000       11.49734 
1 1 1 -6  -56 39 o 31.599  10.651  190.512    96.759   0.0000     0.0000   190.512    96.759   ?       ?       31.599  10.651  0.000000       10.65082 
1 1 1 -6  -56 40 o 10.575  5.2064  -82.6349   47.176   -158.2539  141.941  -73.2445   50.019   17.920  8.8615  11.355  5.5424  6.565320       10.45198 
1 1 1 -6  -56 41 o 34.559  7.8030  184.795    63.883   251.154    101.514  141.284    82.201   36.595  10.734  28.109  9.8058  8.486444       14.53874 
1 1 1 -6  -56 42 o 20.347  7.9920  56.272     57.684   53.960     91.729   57.785     74.189   21.628  9.3961  21.149  8.7833  0.4799004      12.86206 
1 1 1 -6  -56 43 o 19.009  7.6846  43.421     54.885   -43.5874   96.359   85.204     66.775   17.563  8.3420  23.222  8.7304  -5.658747      12.07512 
1 1 1 -6  -56 44 o 14.275  6.5461  -15.2931   51.409   77.810     89.361   -61.3491   62.851   22.925  9.5902  13.557  6.5190  9.367760       11.59607 
1 1 1 -6  -56 45 f 19.095  8.8415  -2.3419    97.055   -10.9627   111.927  23.787     194.859  19.680  9.2379  23.658  11.401  -3.978249      14.67393 
1 1 1 -6  -56 46 o 23.898  10.377  90.073     111.765  18.150     132.381  268.568    208.546  21.567  10.099  29.966  13.522  -8.398468      16.87682 
1 1 1 -6  -56 47 o 19.743  9.2454  -3.4636    110.977  -91.1213   128.813  248.967    218.593  18.271  8.9128  28.884  13.337  -10.61280      16.04091 
1 1 1 -6  -56 48 o 8.1593  4.1067  -103.8156  37.045   -52.3232   102.646  -111.5267  39.722   17.501  8.3936  8.4176  4.2388  9.083775       9.403151 
1 1 1 -6  -56 49 o 13.298  6.2017  -24.5296   49.102   77.241     106.850  -51.7750   55.285   22.729  10.001  12.831  6.1553  9.898124       11.74353 
1 1 1 -6  -56 50 f 13.819  6.3596  -14.6073   49.118   -74.4531   108.651  0.7645     55.066   17.086  8.3011  15.459  6.9645  1.626678       10.83569 
1 1 1 -6  -55 9  o 14.277  6.6776  -25.7182   57.590   -13.6356   89.424   -34.2807   75.279   17.731  8.3020  15.750  7.4491  1.981094       11.15399 
1 1 1 -6  -55 10 o 15.253  6.9581  -7.8724    57.092   -20.2165   88.249   1.0128     74.871   17.513  8.2150  17.409  7.9522  0.1037998      11.43344 
1 1 1 -6  -55 11 o 19.497  8.0069  47.224     60.724   115.524    95.198   0.3706     78.848   25.215  10.146  17.791  8.1394  7.424353       13.00750 
1 1 1 -6  -55 12 o 12.758  6.0290  -36.7228   49.131   -48.4710   68.917   -24.5817   70.060   14.743  7.0176  15.893  7.4108  -1.150612      10.20621 
1 1 1 -6  -55 13 o 36.004  7.8026  200.765    66.195   213.471    95.584   189.056    91.760   33.631  10.535  31.739  10.362  1.891634       14.77674 
1 1 1 -6  -55 14 o 40.875  7.2702  249.158    69.463   297.257    98.165   200.921    98.306   41.432  9.9000  32.361  10.733  9.070415       14.60168 
1 1 1 -6  -55 15 o 13.193  6.2345  -39.0992   52.530   -47.7207   71.779   -29.1569   77.082   15.191  7.2107  16.506  7.7217  -1.314655      10.56496 
1 1 1 -6  -55 16 o 30.844  8.4523  153.539    65.134   125.001    95.967   177.913    88.690   26.458  10.332  31.261  10.186  -4.802336      14.50934 
1 1 1 -6  -55 17 o 23.581  8.3756  87.000     60.169   41.947     83.972   134.540    86.259   20.707  8.9930  27.500  9.9956  -6.792473      13.44565 
1 1 1 -6  -55 18 o 20.022  8.5439  40.404     73.291   10.149     80.616   184.577    175.978  18.734  8.4345  28.683  12.717  -9.949358      15.26009 
1 1 1 -6  -55 19 o 45.914  8.7867  335.810    94.322   373.466    105.279  182.625    212.340  47.587  9.4511  28.355  13.111  19.23159       16.16238 
1 1 1 -6  -55 20 o 24.145  8.4955  92.372     61.765   96.160     85.390   88.215     89.448   24.420  9.6815  23.890  9.7537  0.5290909      13.74289 
1 1 1 -6  -55 21 o 46.373  8.6318  339.909    93.552   385.194    104.971  165.089    206.248  48.619  9.2358  27.844  12.891  20.77498       15.85832 
1 1 1 -6  -55 22 o 18.798  7.8684  35.528     60.202   -11.7094   81.345   92.732     89.518   17.711  8.1632  24.186  9.8013  -6.474918      12.75550 
1 1 1 -6  -55 23 o 17.040  7.3773  16.836     56.159   -12.1679   72.725   59.677     88.387   16.915  7.7675  21.988  9.3827  -5.072485      12.18070 
1 1 1 -6  -55 24 o 27.496  8.6061  123.499    63.804   121.153    86.318   126.325    94.732   26.369  9.9236  26.620  10.302  -0.2512436     14.30388 
1 1 1 -6  -55 25 o 27.824  8.8003  127.970    66.546   277.607    93.657   -24.5979   94.569   40.480  9.6682  18.245  8.5410  22.23499       12.90051 
1 1 1 -6  -55 26 o 35.149  8.5276  197.665    71.986   58.517     103.403  328.528    100.277  22.501  9.8712  44.314  9.6034  -21.81220      13.77192 
1 1 1 -6  -55 27 o 17.150  7.8409  -8.0748    73.001   -8.0748    73.001   0.0000     0.0000   17.150  7.8409  ?       ?       0.000000       7.840896 
1 1 1 -6  -55 28 o 24.182  10.018  90.984     96.153   90.984     96.153   0.0000     0.0000   24.182  10.018  ?       ?       0.000000       10.01756 
1 1 1 -6  -55 29 o 38.288  10.784  270.082    104.451  219.043    124.573  390.916    191.675  32.127  11.954  37.185  14.580  -5.058479      18.85439 
1 1 1 -6  -55 30 o 25.551  8.7112  106.120    64.733   78.732     110.380  120.477    79.919   23.785  10.320  26.500  9.6229  -2.714998      14.11047 
1 1 1 -6  -55 31 o 22.897  8.0814  80.174     55.933   128.518    90.466   50.258     71.166   26.921  10.153  20.611  8.5847  6.310337       13.29615 
1 1 1 -6  -55 32 o 29.663  8.0616  138.535    59.540   214.197    95.977   91.199     75.914   34.121  10.535  23.994  9.2396  10.12659       14.01260 
1 1 1 -6  -55 33 o 37.728  7.5744  214.636    66.930   209.975    99.789   218.447    90.237   33.370  10.800  35.171  10.064  -1.800892      14.76263 
1 1 1 -6  -55 34 o 17.887  7.5233  28.325     55.463   -9.8193    82.736   59.458     74.745   17.952  8.2588  21.466  8.8573  -3.513798      12.11036 
1 1 1 -6  -55 35 o 27.660  8.7591  125.606    65.908   114.502    99.987   134.138    87.643   25.813  10.394  27.502  10.063  -1.689018      14.46769 
1 1 1 -6  -55 36 o 25.652  8.8155  107.235    66.316   130.804    95.857   85.599     91.841   27.028  10.389  23.812  9.8209  3.215981       14.29630 
1 1 1 -6  -55 37 o 21.088  9.2945  39.278     92.650   0.0000     0.0000   39.278     92.650   ?       ?       21.088  9.2945  0.000000       9.294490 
1 1 1 -6  -55 38 o 26.171  10.189  118.416    93.102   0.0000     0.0000   118.416    93.102   ?       ?       26.171  10.189  0.000000       10.18895 
1 1 1 -6  -55 39 o 21.717  8.5374  66.212     65.878   -30.1292   155.514  87.282     72.726   21.695  10.385  23.696  9.0633  -2.000526      13.78404 
1 1 1 -6  -55 40 o 36.135  9.5275  220.334    84.727   161.650    175.497  238.169    96.749   28.075  12.557  36.445  10.418  -8.370272      16.31654 
1 1 1 -6  -55 41 o 17.703  7.7306  16.477     62.782   -21.6046   165.043  22.919     67.885   22.355  10.701  18.563  8.0739  3.791933       13.40507 
1 1 1 -6  -55 42 o 20.974  8.0487  60.788     57.472   90.639     93.884   42.898     72.682   24.290  9.9634  20.259  8.5714  4.030495       13.14297 
1 1 1 -6  -55 43 f 11.593  5.5932  -57.8059   47.233   -66.3948   84.713   -53.9314   56.897   15.946  7.6418  13.192  6.3059  2.754695       9.907629 
1 1 1 -6  -55 44 o 22.762  8.1704  78.208     57.401   167.957    96.426   28.947     71.438   30.119  10.613  19.235  8.3241  10.88407       13.48797 
1 1 1 -6  -55 45 o 18.588  7.5034  38.860     52.244   -73.9553   90.381   95.472     64.025   16.224  7.8055  24.531  8.6476  -8.307026      11.64931 
1 1 1 -6  -55 46 o 24.201  8.2385  91.644     57.898   53.803     99.070   111.272    71.350   22.175  9.6967  25.936  9.1304  -3.760782      13.31875 
1 1 1 -6  -55 47 o 30.665  11.617  192.877    118.755  202.518    142.905  171.361    213.484  30.258  12.338  28.083  13.042  2.174871       17.95296 
1 1 1 -6  -55 48 o 48.447  6.4206  333.876    73.615   352.420    149.222  327.912    84.630   39.069  13.226  46.512  7.7732  -7.442924      15.34149 
1 1 1 -6  -55 49 o 11.475  5.5091  -49.2547   44.475   45.242     118.377  -64.7854   47.990   22.287  10.110  11.368  5.5217  10.91871       11.51939 
1 1 1 -6  -55 50 o 20.872  7.9639  62.867     56.067   97.088     118.370  52.969     63.661   24.479  10.654  20.249  8.2434  4.230204       13.47095 
1 1 1 -6  -55 51 o 12.790  6.0352  -35.0534   48.896   47.816     111.519  -54.7762   54.405   21.832  9.8663  12.662  6.0829  9.169730       11.59077 
1 1 1 -6  -54 7  o 29.454  8.6300  145.460    65.649   59.947     101.524  206.912    86.064   22.038  9.7207  33.778  9.8766  -11.73937      13.85784 
1 1 1 -6  -54 8  o 27.565  8.7709  127.487    66.025   187.443    101.155  82.985     87.149   30.802  10.868  23.214  9.5696  7.588615       14.48100 
1 1 1 -6  -54 9  o 30.489  8.5985  152.078    66.362   111.125    103.127  181.022    86.697   25.381  10.430  31.640  10.049  -6.258146      14.48348 
1 1 1 -6  -54 10 f 18.236  7.7339  28.869     59.401   82.232     91.583   -9.8802    78.042   23.538  9.7658  17.527  8.0477  6.010624       12.65447 
1 1 1 -6  -54 11 o 21.260  8.1036  63.816     58.014   68.599     86.908   59.972     77.916   22.604  9.4570  21.683  9.0030  0.9209824      13.05714 
1 1 1 -6  -54 12 o 15.189  6.8896  -9.9049    54.969   -83.6120   82.866   48.015     73.457   15.200  7.3522  20.675  8.6750  -5.474978      11.37145 
1 1 1 -6  -54 13 o 24.564  8.2716  94.055     58.358   58.659     84.032   127.029    81.107   21.950  9.2477  27.286  9.7207  -5.336014      13.41689 
1 1 1 -6  -54 14 o 17.256  7.4612  16.724     57.293   -43.1542   79.593   81.115     82.537   16.339  7.7067  23.493  9.4496  -7.154915      12.19375 
1 1 1 -6  -54 15 o 9.3617  4.6875  -112.9556  45.147   -105.5952  60.194   -122.4206  68.259   11.827  5.8338  12.406  6.1365  -0.5790606     8.467013 
1 1 1 -6  -54 16 o 24.023  8.3675  89.329     59.844   58.498     83.447   121.975    85.868   21.929  9.2259  26.741  9.9301  -4.812250      13.55447 
1 1 1 -6  -54 17 o 25.799  8.1135  104.029    56.634   140.529    76.899   60.767     83.719   28.774  9.4904  22.078  9.2623  6.695589       13.26113 
1 1 1 -6  -54 18 o 20.199  8.0149  51.623     58.565   12.001     79.620   98.331     86.447   18.898  8.4550  24.824  9.7731  -5.926048      12.92289 
1 1 1 -6  -54 19 o 32.224  8.2823  163.092    65.111   178.092    91.262   147.541    92.922   31.465  10.337  28.669  10.381  2.796625       14.65014 
1 1 1 -6  -54 20 f 34.076  8.1158  179.909    66.142   261.499    91.580   90.943     95.630   39.568  9.6298  24.418  10.040  15.14984       13.91198 
1 1 1 -6  -54 21 o 44.255  7.0989  284.876    73.652   276.532    102.028  293.956    106.430  39.625  10.459  40.649  10.660  -1.023109      14.93345 
1 1 1 -6  -54 22 o 47.601  6.9110  326.212    77.489   248.070    105.568  417.493    114.100  36.581  11.000  50.408  9.6807  -13.82616      14.65336 
1 1 1 -6  -54 23 o 22.592  8.3585  75.569     60.728   60.984     81.898   93.384     90.510   22.046  9.1981  24.540  9.8866  -2.493946      13.50373 
1 1 1 -6  -54 24 o 23.724  8.4918  86.446     61.966   121.450    81.183   37.586     95.913   26.832  9.7055  21.348  9.4305  5.483961       13.53260 
1 1 1 -6  -54 25 o 43.600  7.1872  277.210    73.385   220.205    98.634   347.893    109.831  34.831  10.667  45.151  10.258  -10.31977      14.79965 
1 1 1 -6  -54 26 o 16.883  7.7666  -16.7393   73.157   -16.7393   73.157   0.0000     0.0000   16.883  7.7666  ?       ?       0.000000       7.766621 
1 1 1 -6  -54 27 o 15.931  7.4527  -34.2188   71.807   -34.2188   71.807   0.0000     0.0000   15.931  7.4527  ?       ?       0.000000       7.452739 
1 1 1 -6  -54 28 o 44.840  6.5438  284.671    69.100   226.783    99.340   338.937    96.182   35.428  10.675  46.401  8.8661  -10.97274      13.87648 
1 1 1 -6  -54 29 o 24.996  7.6752  95.022     51.024   109.762    78.744   84.354     66.990   25.887  9.5287  23.575  8.7676  2.312605       12.94863 
1 1 1 -6  -54 30 o 27.806  7.8393  118.848    55.171   113.177    88.689   122.428    70.465   26.095  10.002  27.342  9.0879  -1.247194      13.51411 
1 1 1 -6  -54 31 f 21.366  7.6198  65.435     49.849   40.698     75.704   84.371     66.235   20.419  8.6977  23.578  8.7281  -3.158760      12.32189 
1 1 1 -6  -54 32 o 49.325  6.0140  336.370    70.486   327.757    100.451  344.724    98.932   44.815  9.5310  46.567  9.0820  -1.751999      13.16521 
1 1 1 -6  -54 33 o 23.571  8.2633  84.433     58.408   142.167    86.970   37.001     78.831   28.587  10.079  20.378  8.7814  8.209051       13.36754 
1 1 1 -6  -54 34 o 18.291  7.6625  29.814     57.165   11.690     86.807   43.693     75.962   19.500  8.7685  20.639  8.7489  -1.138433      12.38671 
1 1 1 -6  -54 35 o 43.203  6.9988  269.460    70.858   278.214    103.693  261.792    97.053   39.762  10.567  39.063  10.148  0.6999130      14.65068 
1 1 1 -6  -54 36 o 24.879  9.7874  97.441     86.640   0.0000     0.0000   97.441     86.640   ?       ?       24.879  9.7874  0.000000       9.787426 
1 1 1 -6  -54 37 o 19.347  8.1381  35.663     64.912   0.0000     0.0000   35.663     64.912   ?       ?       19.347  8.1381  0.000000       8.138099 
1 1 1 -6  -54 38 f 59.849  5.5739  485.816    80.012   375.154    122.801  567.453    105.474  45.680  11.172  62.830  7.0395  -17.15023      13.20475 
1 1 1 -6  -54 39 o 41.571  7.2321  252.385    70.300   287.004    102.432  221.560    96.657   40.749  10.342  35.251  10.509  5.498318       14.74452 
1 1 1 -6  -54 40 o 30.504  9.3963  155.704    76.403   213.939    167.138  140.321    85.903   30.850  13.022  28.466  10.019  2.383432       16.43005 
1 1 1 -6  -54 41 o 30.386  9.3371  153.870    75.496   189.324    165.009  144.483    84.903   29.796  12.770  28.900  9.9723  0.8959579      16.20238 
1 1 1 -6  -54 42 o 21.547  8.3386  63.630     62.070   -239.3569  161.550  116.104    67.231   18.130  9.0456  26.840  8.8748  -8.710772      12.67223 
1 1 1 -6  -54 43 o 22.011  8.7557  65.471     70.054   246.277    167.694  27.247     77.105   32.483  13.319  19.687  8.5830  12.79594       15.84496 
1 1 1 -6  -54 44 o 19.242  7.6384  43.631     53.214   30.936     88.283   50.876     66.690   20.668  9.0925  20.685  8.4309  -0.1712418E-01 12.39971 
1 1 1 -6  -54 45 o 53.058  5.6468  382.498    71.579   331.537    109.013  421.120    94.903   44.101  10.363  53.644  7.4959  -9.543045      12.78991 
1 1 1 -6  -54 46 o 21.673  7.9070  66.922     54.049   -13.3056   89.305   113.295    67.896   18.577  8.5589  26.569  8.9221  -7.992537      12.36361 
1 1 1 -6  -54 47 o 30.974  7.9720  147.224    60.266   133.276    95.675   156.399    77.595   27.688  10.442  30.568  9.4782  -2.880838      14.10203 
1 1 1 -6  -54 48 o 16.412  6.6364  25.661     40.943   87.480     85.881   7.4774     46.577   24.156  9.6662  15.412  6.6954  8.744186       11.75853 
1 1 1 -6  -54 49 o 20.224  7.9030  52.662     56.171   206.547    116.413  5.9628     64.130   32.321  11.632  17.237  7.6580  15.08448       13.92645 
1 1 1 -6  -54 50 o 22.853  8.1656  78.545     57.272   98.436     119.890  72.664     65.191   25.266  10.858  22.375  8.5755  2.891340       13.83620 
1 1 1 -6  -54 51 o 19.449  7.7783  45.928     55.574   21.256     119.351  52.758     62.797   21.657  9.9470  20.445  8.2358  1.211195       12.91398 
1 1 1 -6  -54 52 o 14.183  6.5152  -17.5602   51.224   76.442     116.173  -40.2468   57.071   23.754  10.441  13.775  6.5061  9.978689       12.30193 
1 1 1 -6  -54 53 o 25.720  8.5066  108.321    61.767   138.073    129.893  99.627     70.213   26.674  11.378  24.559  9.0041  2.114115       14.50985 
1 1 1 -6  -53 4  o 27.843  9.2382  134.826    72.827   98.136     107.944  165.479    98.665   24.370  10.383  29.090  10.672  -4.720045      14.89002 
1 1 1 -6  -53 5  o 18.538  7.9109  30.120     62.839   -37.0100   90.845   91.705     87.013   17.421  8.2223  23.998  9.6848  -6.576305      12.70442 
1 1 1 -6  -53 6  o 15.841  7.1719  -6.8678    59.237   -41.4433   87.175   22.793     80.742   17.040  8.0459  19.478  8.6263  -2.438850      11.79613 
1 1 1 -6  -53 7  o 21.132  8.2993  60.102     62.199   156.271    95.824   -9.9184    81.765   29.278  10.551  17.971  8.2464  11.30650       13.39167 
1 1 1 -6  -53 8  o 16.379  7.2649  3.2843     57.482   61.419     89.214   -37.9789   75.162   22.443  9.4959  16.136  7.5731  6.306990       12.14597 
1 1 1 -6  -53 9  o 19.540  7.9830  41.933     59.969   -55.1823   87.606   127.567    82.264   16.744  7.9533  27.513  9.7911  -10.76910      12.61427 
1 1 1 -6  -53 10 o 28.632  8.3451  128.436    61.530   133.993    93.986   124.268    81.399   27.843  10.379  27.294  9.7366  0.5492840      14.23121 
1 1 1 -6  -53 11 o 22.744  8.2684  75.756     59.028   150.207    90.082   19.731     78.143   29.365  10.264  19.384  8.5403  9.980724       13.35233 
1 1 1 -6  -53 12 o 16.714  7.2904  10.107     55.690   -70.5477   83.658   74.290     74.628   15.847  7.5941  22.970  9.0685  -7.123208      11.82828 
1 1 1 -6  -53 13 o 23.303  8.2112  81.209     57.721   57.995     84.464   101.549    79.063   22.137  9.2959  25.307  9.5026  -3.170746      13.29336 
1 1 1 -6  -53 14 o 18.877  7.7126  37.210     55.981   90.655     77.702   -20.4713   80.722   24.362  9.3563  17.523  8.0958  6.839405       12.37262 
1 1 1 -6  -53 15 o 33.117  7.9289  166.877    62.868   111.993    88.091   223.848    89.750   26.146  9.9810  36.394  9.9005  -10.24774      14.05848 
1 1 1 -6  -53 16 o 12.913  6.0888  -38.8592   49.607   -108.3484  66.265   49.731     74.820   12.598  6.1962  21.080  8.7931  -8.481729      10.75694 
1 1 1 -6  -53 17 o 16.457  7.1814  9.0889     54.086   58.990     73.116   -51.2170   80.378   21.687  8.8321  16.205  7.6739  5.482229       11.70022 
1 1 1 -6  -53 18 o 13.363  6.2276  -29.8077   49.371   7.1846     64.032   -84.0423   77.532   17.388  7.6920  14.732  7.1220  2.656002       10.48288 
1 1 1 -6  -53 19 o 18.036  7.5030  28.780     54.265   -96.6866   76.424   156.359    77.065   14.207  6.9160  30.710  9.4331  -16.50298      11.69678 
1 1 1 -6  -53 20 o 39.397  7.4843  228.145    68.930   186.565    95.872   272.639    99.176   32.369  10.593  40.153  10.169  -7.784084      14.68372 
1 1 1 -6  -53 21 o 23.761  8.2057  84.752     57.492   94.716     74.558   70.137     90.297   24.784  9.2432  23.260  9.6776  1.523251       13.38257 
1 1 1 -6  -53 22 o 18.095  7.5155  28.983     54.320   47.981     67.334   -6.4194    91.920   20.609  8.4438  19.201  8.7858  1.408354       12.18561 
1 1 1 -6  -53 23 f 16.316  7.1404  6.7547     53.819   -0.9906    67.446   20.330     89.293   17.299  7.7577  20.326  9.0330  -3.026226      11.90708 
1 1 1 -6  -53 24 o 22.940  8.3632  76.399     60.451   91.716     75.787   49.610     100.228  24.603  9.2898  22.553  9.8098  2.049850       13.51046 
1 1 1 -6  -53 25 o 24.259  9.5107  86.185     81.554   86.185     81.554   0.0000     0.0000   24.259  9.5107  ?       ?       0.000000       9.510750 
1 1 1 -6  -53 26 o 25.465  9.4549  100.843    77.840   100.843    77.840   0.0000     0.0000   25.465  9.4549  ?       ?       0.000000       9.454885 
1 1 1 -6  -53 27 o 32.606  9.5096  174.229    79.877   176.719    86.837   160.539    203.615  32.329  10.027  29.372  13.297  2.957195       16.65432 
1 1 1 -6  -53 28 o 19.387  8.0714  35.318     62.869   -3.8090    76.982   113.674    108.940  18.129  8.1947  26.676  10.812  -8.547014      13.56631 
1 1 1 -6  -53 29 o 15.570  7.0203  -9.1486    56.089   10.432     69.261   -46.4557   95.602   18.217  8.0323  17.975  8.4688  0.2417831      11.67208 
1 1 1 -6  -53 30 o 15.363  7.0044  -16.1495   57.753   -59.1600   73.141   55.076     94.122   15.211  7.2375  22.655  9.6752  -7.443312      12.08267 
1 1 1 -6  -53 31 o 26.429  7.7613  104.875    53.044   98.438     77.075   110.668    73.113   25.292  9.4048  26.457  9.2469  -1.164980      13.18925 
1 1 1 -6  -53 32 o 30.182  7.7889  136.755    57.425   221.476    84.067   62.642     78.628   37.168  9.3345  22.419  9.1480  14.74873       13.06971 
1 1 1 -6  -53 33 o 14.138  6.4543  -17.2769   49.241   2.6934     74.329   -32.8964   65.735   18.234  8.1628  15.466  7.2004  2.768697       10.88471 
1 1 1 -6  -53 34 o 13.478  6.2030  -21.8697   46.735   9.0404     67.591   -50.1857   64.692   17.963  7.9268  14.544  6.8867  3.418514       10.50052 
1 1 1 -6  -53 35 o 24.635  9.1331  91.866     72.578   0.0000     0.0000   91.866     72.578   ?       ?       24.635  9.1331  0.000000       9.133070 
1 1 1 -6  -53 36 o 14.000  6.6293  -48.2514   59.953   0.0000     0.0000   -48.2514   59.953   ?       ?       14.000  6.6293  0.000000       6.629333 
1 1 1 -6  -53 37 o 14.128  6.4880  -20.7621   50.752   70.096     86.172   -69.0156   62.799   23.204  9.5349  13.518  6.5041  9.686523       11.54197 
1 1 1 -6  -53 38 o 18.440  7.3723  36.670     49.908   -58.0339   88.292   81.138     60.501   16.828  7.9905  23.434  8.3906  -6.606377      11.58659 
1 1 1 -6  -53 39 o 31.057  8.1843  148.143    62.542   96.700     98.865   182.464    80.754   25.317  10.286  33.297  9.5183  -7.979769      14.01417 
1 1 1 -6  -53 40 o 14.171  6.4768  -17.4763   49.763   -11.9778   88.260   -20.0388   60.253   18.672  8.5680  15.416  7.0757  3.256640       11.11199 
1 1 1 -6  -53 41 o 11.263  5.4643  -65.2133   46.638   -251.4542  84.061   17.610     56.057   11.680  5.9128  17.358  7.4414  -5.678222      9.504475 
1 1 1 -6  -53 42 o 16.381  7.3280  -2.4611    59.791   11.797     142.328  -5.5166    65.887   22.937  10.651  16.870  7.6076  6.066809       13.08876 
1 1 1 -6  -53 43 o 27.310  9.0862  119.600    70.432   151.931    141.895  109.031    81.132   28.752  12.060  26.094  9.6598  2.657463       15.45169 
1 1 1 -6  -53 44 o 32.552  9.1370  170.980    75.120   277.338    148.982  134.720    86.987   35.849  13.120  28.264  10.067  7.584684       16.53740 
1 1 1 -6  -53 45 o 14.964  6.8067  -14.4157   54.141   -224.9343  134.803  26.073     59.118   16.732  8.3347  18.309  7.7374  -1.576797      11.37255 
1 1 1 -6  -53 46 o 35.936  7.4399  189.411    62.735   145.691    97.753   220.029    81.805   28.953  10.623  37.167  9.1357  -8.213306      14.01096 
1 1 1 -6  -53 47 o 16.358  6.5030  26.515     38.621   -38.8461   84.419   43.816     43.434   17.206  8.0593  18.743  7.0421  -1.537262      10.70248 
1 1 1 -6  -53 48 o 11.562  5.4153  -29.4352   38.096   -44.0055   89.687   -26.2275   42.081   17.503  8.2330  12.457  5.7866  5.045965       10.06314 
1 1 1 -6  -53 49 o 28.101  6.8110  114.045    45.956   86.917     92.686   122.888    52.919   24.568  9.9673  28.730  7.5079  -4.161354      12.47860 
1 1 1 -6  -53 50 o 29.537  8.3504  135.478    62.509   298.785    127.509  83.814     71.719   39.321  12.143  23.827  9.0273  15.49477       15.13091 
1 1 1 -6  -53 51 o 20.561  7.9327  54.826     56.039   -77.8042   120.899  91.119     63.243   18.871  9.0661  24.418  8.5960  -5.547451      12.49341 
1 1 1 -6  -53 52 o 15.321  6.8513  -3.9322    52.218   -7.6929    117.825  -3.0131    58.251   20.819  9.6752  16.108  7.2176  4.711124       12.07073 
1 1 1 -6  -53 53 o 18.222  8.8991  -120.4944  129.433  -120.4944  129.433  0.0000     0.0000   18.222  8.8991  ?       ?       0.000000       8.899103 
1 1 1 -6  -53 54 o 22.748  8.5316  77.541     63.694   217.583    140.928  41.592     71.402   31.449  12.447  20.086  8.4967  11.36347       15.07091 
1 1 1 -6  -52 2  o 20.384  8.2990  51.924     64.532   -19.1733   91.651   121.827    90.877   18.237  8.4945  26.347  10.118  -8.109774      13.21135 
1 1 1 -6  -52 3  o 21.905  8.4497  68.175     63.574   56.384     87.528   81.340     92.492   21.945  9.3501  23.705  9.8229  -1.759466      13.56149 
1 1 1 -6  -52 4  o 15.385  7.0500  -17.3195   59.481   -24.6875   81.599   -8.9658    86.886   17.373  8.0663  18.543  8.5059  -1.170357      11.72243 
1 1 1 -6  -52 5  o 18.145  7.8194  20.523     62.509   108.632    86.934   -73.7942   89.945   25.945  9.9126  16.379  7.8558  9.566540       12.64806 
1 1 1 -6  -52 6  o 19.785  8.0685  42.587     61.121   135.971    95.810   -21.4981   79.370   28.160  10.483  17.427  8.0431  10.73321       13.21291 
1 1 1 -6  -52 7  o 34.172  8.3285  179.181    68.426   264.887    111.469  127.356    86.680   38.277  11.254  27.697  10.027  10.58012       15.07302 
1 1 1 -6  -52 8  o 31.253  10.009  165.067    85.874   192.410    103.500  104.659    153.840  32.671  11.016  26.880  11.906  5.791300       16.21984 
1 1 1 -6  -52 9  o 19.249  8.3873  21.189     73.539   107.634    89.829   -154.4876  128.056  26.094  10.050  17.633  8.6606  8.460999       13.26681 
1 1 1 -6  -52 10 o 16.787  7.6696  -15.2123   69.698   -14.1506   84.010   -17.5567   124.838  18.246  8.3674  21.121  9.8630  -2.874788      12.93415 
1 1 1 -6  -52 11 o 11.755  5.8118  -114.4112  60.942   -1.1632    72.683   -382.4779  111.826  17.839  8.0225  ?       ?       0.000000       8.022457 
1 1 1 -6  -52 12 o 24.909  9.4436  94.552     78.519   26.406     96.032   231.990    136.380  21.134  9.3811  33.764  12.519  -12.62977      15.64398 
1 1 1 -6  -52 13 o 42.167  9.2084  281.018    91.576   297.152    112.561  249.432    157.492  41.047  11.055  33.845  13.231  7.202065       17.24151 
1 1 1 -6  -52 14 o 30.101  9.7700  150.906    81.618   135.690    94.702   194.848    160.928  28.281  10.443  30.906  12.894  -2.625137      16.59266 
1 1 1 -6  -52 15 o 26.303  9.6469  109.933    80.605   97.656     90.306   158.044    178.770  25.358  9.9871  29.262  12.903  -3.904285      16.31693 
1 1 1 -6  -52 16 o 29.556  9.8360  145.098    82.534   154.983    92.827   107.795    180.332  30.042  10.424  27.537  12.486  2.504898       16.26535 
1 1 1 -6  -52 17 o 14.667  6.7657  -24.9093   56.052   9.8069     59.755   -279.1930  161.723  17.264  7.5404  17.849  8.9277  -0.5857906     11.68591 
1 1 1 -6  -52 18 o 24.698  9.3659  90.444     77.245   108.954    87.419   24.518     164.980  26.341  9.9697  24.599  11.437  1.741821       15.17256 
1 1 1 -6  -52 19 o 37.270  9.6369  224.229    87.793   263.453    101.120  104.149    176.928  39.673  10.384  27.615  12.458  12.05831       16.21818 
1 1 1 -6  -52 20 o 32.053  9.8521  168.998    84.046   173.401    96.277   154.896    172.302  31.773  10.625  29.582  12.865  2.191162       16.68474 
1 1 1 -6  -52 21 o 38.208  9.6462  233.909    89.442   245.303    103.284  199.742    178.857  37.915  10.739  31.579  13.408  6.335411       17.17846 
1 1 1 -6  -52 22 o 24.346  8.6027  86.953     63.398   45.217     88.221   131.524    91.168   22.006  9.3818  28.413  10.284  -6.407413      13.92042 
1 1 1 -6  -52 23 o 53.775  6.3792  396.297    81.614   349.423    102.354  478.124    135.234  47.724  9.1723  54.045  10.691  -6.321499      14.08661 
1 1 1 -6  -52 24 o 26.728  9.7370  110.264    81.920   110.264    81.920   0.0000     0.0000   26.728  9.7370  ?       ?       0.000000       9.736991 
1 1 1 -6  -52 25 o 27.918  9.5804  122.432    78.310   149.917    84.386   -48.0745   210.178  30.401  9.9376  24.927  11.970  5.474136       15.55733 
1 1 1 -6  -52 26 o 48.681  6.3992  324.684    73.756   365.292    97.637   270.713    112.561  49.775  8.3821  39.658  11.203  10.11657       13.99181 
1 1 1 -6  -52 27 o 25.949  7.7739  98.805     52.797   29.172     83.486   145.215    68.157   20.833  9.0071  30.788  8.7249  -9.955139      12.54002 
1 1 1 -6  -52 28 o 38.830  6.5987  209.111    59.946   235.005    92.311   190.227    78.830   38.335  9.8663  34.973  9.1751  3.361446       13.47317 
1 1 1 -6  -52 29 o 47.844  5.6566  305.864    64.397   305.957    95.765   305.788    87.005   44.790  9.1217  45.742  8.1373  -0.9521637     12.22380 
1 1 1 -6  -52 30 o 44.459  6.0342  267.742    63.413   305.442    94.067   236.337    85.854   44.936  8.9419  39.124  9.1987  5.811790       12.82861 
1 1 1 -6  -52 31 o 22.502  7.7610  70.846     51.422   14.507     77.310   115.545    68.863   19.465  8.5373  27.472  8.9770  -8.007238      12.38837 
1 1 1 -6  -52 32 o 55.468  5.2672  405.480    70.040   408.265    103.589  403.135    95.062   52.689  8.3836  53.177  7.5822  -0.4880409     11.30375 
1 1 1 -6  -52 33 o 25.901  7.8770  98.767     53.908   122.517    77.544   76.554     74.994   27.974  9.5343  23.741  9.1718  4.233686       13.22971 
1 1 1 -6  -52 34 o 29.047  9.3478  132.635    74.833   0.0000     0.0000   132.635    74.833   ?       ?       29.047  9.3478  0.000000       9.347761 
1 1 1 -6  -52 35 f 47.540  7.4280  321.972    82.879   0.0000     0.0000   321.972    82.879   ?       ?       47.540  7.4280  0.000000       7.428021 
1 1 1 -6  -52 36 o 28.891  7.2914  121.034    51.116   124.965    80.530   118.381    66.151   28.067  9.7105  27.763  8.7735  0.3035030      13.08692 
1 1 1 -6  -52 37 o 44.101  5.4627  259.593    57.205   309.868    82.294   212.586    79.574   46.441  7.5634  37.114  8.9420  9.326279       11.71172 
1 1 1 -6  -52 38 o 19.967  7.3247  51.600     46.473   47.342     64.383   56.231     67.150   20.643  8.3308  21.556  8.5730  -0.9133072     11.95401 
1 1 1 -6  -52 39 o 45.063  6.2603  278.808    66.601   194.478    104.595  336.316    86.375   33.237  11.073  48.278  7.6268  -15.04031      13.44578 
1 1 1 -6  -52 40 o 27.688  7.8747  114.626    55.418   139.871    92.690   100.581    69.135   28.988  10.385  25.685  8.9910  3.302145       13.73616 
1 1 1 -6  -52 41 o 21.548  7.7913  63.749     52.310   29.972     87.324   82.653     65.328   20.947  9.1331  23.845  8.6939  -2.898743      12.60939 
1 1 1 -6  -52 42 o 21.139  7.8883  59.431     54.317   88.740     88.436   41.677     68.830   24.828  9.8497  20.409  8.4669  4.418270       12.98862 
1 1 1 -6  -52 43 o 22.075  8.0212  67.893     55.542   83.162     88.740   58.059     71.217   24.409  9.8052  21.816  8.7767  2.592934       13.15950 
1 1 1 -6  -52 44 o 16.827  7.3444  8.1779     56.600   -279.8810  123.597  84.615     63.668   15.054  7.5671  23.976  8.6049  -8.921811      11.45891 
1 1 1 -6  -52 45 o 41.365  8.4864  259.185    82.320   361.071    155.925  219.811    96.930   41.675  13.502  35.883  10.479  5.792213       17.09097 
1 1 1 -6  -52 46 o 7.9370  4.0204  -132.3200  39.271   -65.0643   121.122  -140.2205  41.513   19.492  9.2850  8.1396  4.1241  11.35212       10.15968 
1 1 1 -6  -52 47 o 14.544  6.7173  -26.1536   55.496   -106.1147  128.834  -7.9361    61.494   18.936  9.1612  16.351  7.3637  2.585070       11.75381 
1 1 1 -6  -52 48 o 16.774  6.7020  27.240     41.215   23.210     87.929   28.375     46.658   20.590  9.0660  17.444  7.0736  3.146587       11.49900 
1 1 1 -6  -52 49 o 35.191  5.9869  169.893    49.290   48.037     96.314   213.131    57.372   22.531  9.7079  39.322  6.2200  -16.79180      11.52957 
1 1 1 -6  -52 50 o 28.760  6.6041  117.343    45.114   139.592    93.726   110.634    51.469   28.900  10.432  27.383  7.5176  1.517790       12.85874 
1 1 1 -6  -52 51 o 26.282  6.9711  99.853     45.184   180.967    94.441   75.774     51.456   32.487  10.506  22.918  7.7668  9.568369       13.06529 
1 1 1 -6  -52 52 o 20.036  8.0398  45.267     59.591   156.477    137.259  19.437     66.151   29.431  12.057  18.565  8.0222  10.86580       14.48165 
1 1 1 -6  -52 53 o 23.412  8.5613  79.898     63.417   -26.6252   138.562  108.125    71.326   21.677  10.208  26.240  9.1353  -4.562199      13.69867 
1 1 1 -6  -52 54 o 21.650  8.4037  62.510     63.189   127.845    140.569  45.965     70.739   27.573  11.801  20.679  8.5814  6.894260       14.59116 
1 1 1 -6  -52 55 o 20.903  8.3479  54.948     63.913   38.496     155.592  58.288     70.101   24.131  11.181  21.480  8.6844  2.650291       14.15722 
1 1 1 -6  -52 56 o 17.914  7.7323  20.631     61.323   13.999     144.557  22.087     67.718   22.667  10.595  18.559  8.0679  4.108099       13.31680 
1 1 1 -6  -51 1  o 18.980  8.4272  13.650     77.537   21.145     85.807   -19.7091   181.022  20.019  8.8779  23.458  11.223  -3.439333      14.30989 
1 1 1 -6  -51 2  o 24.893  9.5475  94.479     80.844   161.975    90.276   -178.8214  181.658  30.625  10.288  20.484  10.110  10.14089       14.42413 
1 1 1 -6  -51 3  o 16.732  7.7191  -24.0962   72.991   -11.4410   81.551   -75.0595   163.653  18.195  8.3065  21.758  10.477  -3.563190      13.36996 
1 1 1 -6  -51 4  o 34.105  10.354  197.813    93.208   193.418    106.211  212.538    194.408  32.845  11.158  31.613  13.706  1.231600       17.67413 
1 1 1 -6  -51 5  o 20.363  8.7327  32.187     77.256   111.536    86.022   -298.7188  175.667  26.618  9.9282  18.521  9.2696  8.097237       13.58289 
1 1 1 -6  -51 6  o 23.305  9.5233  68.526     85.370   21.711     100.158  192.886    163.242  21.378  9.5295  31.290  13.015  -9.912500      16.13065 
1 1 1 -6  -51 7  f 26.560  9.6301  110.699    79.994   85.406     96.478   166.338    143.093  24.831  10.133  30.084  12.316  -5.253601      15.94832 
1 1 1 -6  -51 8  o 26.588  9.6539  111.165    80.432   116.739    97.044   98.934     143.755  27.036  10.437  26.754  11.690  0.2822952      15.67118 
1 1 1 -6  -51 9  o 20.795  8.6876  42.868     73.195   43.689     89.467   41.207     127.282  21.866  9.3879  23.699  10.640  -1.833750      14.18983 
1 1 1 -6  -51 10 o 20.515  8.6308  39.020     73.028   41.846     89.047   33.215     127.622  21.735  9.3498  23.394  10.565  -1.659353      14.10811 
1 1 1 -6  -51 11 o 17.268  7.8160  -9.3913    70.300   50.218     84.031   -148.4101  128.327  21.985  9.2543  17.921  8.7750  4.064051       12.75312 
1 1 1 -6  -51 12 o 30.557  9.7637  152.651    81.752   119.014    100.648  217.876    140.153  27.283  10.602  33.274  12.616  -5.990273      16.47931 
1 1 1 -6  -51 13 o 30.705  9.7635  153.614    81.824   154.650    101.079  151.645    139.368  30.074  10.837  29.464  12.119  0.6095219      16.25752 
1 1 1 -6  -51 14 o 29.577  9.4882  139.728    77.144   199.296    91.476   -6.9676    143.552  34.663  10.196  22.911  10.658  11.75183       14.74952 
1 1 1 -6  -51 15 o 33.615  9.6577  181.573    82.941   243.173    93.782   -39.6175   177.710  38.846  9.9159  23.724  11.286  15.12272       15.02309 
1 1 1 -6  -51 16 o 18.388  8.0142  12.667     67.179   0.0001     73.217   80.101     168.938  18.217  8.1322  27.100  12.205  -8.882282      14.66577 
1 1 1 -6  -51 17 o 16.783  7.5871  -12.1711   66.010   16.773     73.375   -135.0235  151.167  19.271  8.3879  20.108  9.7746  -0.8370743     12.88024 
1 1 1 -6  -51 18 o 83.169  6.8431  951.380    136.870  860.839    167.880  1130.86    236.364  75.411  9.3774  80.934  12.434  -5.522621      15.57364 
1 1 1 -6  -51 19 o 47.485  8.7335  334.657    96.918   254.778    111.285  585.488    197.203  38.738  11.203  54.224  14.644  -15.48549      18.43839 
1 1 1 -6  -51 20 o 33.510  9.8458  178.249    85.344   113.799    96.028   420.497    186.173  27.457  10.435  44.735  14.767  -17.27802      18.08226 
1 1 1 -6  -51 21 o 43.026  9.1594  279.540    92.689   254.896    108.196  347.507    179.682  39.212  10.951  40.807  14.476  -1.594997      18.15151 
1 1 1 -6  -51 22 o 35.247  10.703  203.933    99.587   203.933    99.587   0.0000     0.0000   35.247  10.703  ?       ?       0.000000       10.70325 
1 1 1 -6  -51 23 o 32.554  10.281  169.725    90.855   169.725    90.855   0.0000     0.0000   32.554  10.281  ?       ?       0.000000       10.28146 
1 1 1 -6  -51 24 o 14.460  6.9078  -69.5635   68.036   -72.4803   72.785   -49.3775   191.475  14.962  7.1467  24.827  11.782  -9.864434      13.78037 
1 1 1 -6  -51 25 o 32.505  8.8175  158.545    71.307   137.533    89.104   195.971    118.918  29.687  10.218  33.844  11.795  -4.156132      15.60509 
1 1 1 -6  -51 26 o 22.070  8.4570  59.785     63.394   162.390    81.001   -102.4000  101.839  32.393  9.6120  17.217  8.2835  15.17636       12.68884 
1 1 1 -6  -51 27 o 38.505  8.6583  218.743    78.930   286.571    103.436  124.190    122.126  42.885  10.106  28.867  11.536  14.01829       15.33619 
1 1 1 -6  -51 28 o 43.305  6.5041  254.832    66.230   261.705    106.842  250.542    84.402   40.292  10.735  41.263  8.7038  -0.9713860     13.82022 
1 1 1 -6  -51 29 o 45.852  5.7531  278.930    62.598   254.743    92.761   299.154    84.824   40.902  9.5244  45.884  7.9043  -4.981937      12.37706 
1 1 1 -6  -51 30 o 40.784  6.1260  223.800    58.749   197.339    85.253   247.730    81.071   35.772  9.6152  41.294  8.3777  -5.522137      12.75296 
1 1 1 -6  -51 31 o 24.955  7.6910  88.587     51.180   163.448    74.091   20.266     70.781   32.914  9.0129  19.505  8.3615  13.40922       12.29419 
1 1 1 -6  -51 32 o 23.427  8.9471  70.572     70.808   0.0000     0.0000   70.572     70.808   ?       ?       23.427  8.9471  0.000000       8.947121 
1 1 1 -6  -51 33 o 17.516  7.6123  7.5489     60.248   0.0000     0.0000   7.5489     60.248   ?       ?       17.516  7.6123  0.000000       7.612285 
1 1 1 -6  -51 34 o 21.807  8.2535  59.309     59.913   0.0000     0.0000   59.309     59.913   ?       ?       21.807  8.2535  0.000000       8.253523 
1 1 1 -6  -51 35 o 29.748  7.2958  125.967    52.260   153.573    82.988   107.826    67.276   31.318  9.8170  26.978  8.8757  4.339699       13.23449 
1 1 1 -6  -51 36 o 41.113  5.6915  225.164    55.253   389.681    80.134   76.068     76.286   53.779  6.2581  24.039  9.2608  29.73908       11.17704 
1 1 1 -6  -51 37 o 35.681  6.1081  172.798    50.980   257.655    73.540   94.290     70.736   42.803  7.3453  25.520  9.0794  17.28343       11.67860 
1 1 1 -6  -51 38 o 54.362  4.9333  384.099    64.364   386.863    93.639   381.623    88.618   52.316  7.5989  52.356  7.1637  -0.3985977E-01 10.44331 
1 1 1 -6  -51 39 o 72.555  4.5009  675.610    78.847   555.128    115.120  782.070    108.213  62.526  7.7544  76.657  5.8623  -14.13131      9.720999 
1 1 1 -6  -51 40 o 17.509  6.8915  31.052     42.975   -82.4977   62.537   132.653    59.155   13.151  6.3673  29.985  7.9873  -16.83486      10.21471 
1 1 1 -6  -51 41 o 26.778  7.9974  105.821    55.940   136.344    87.782   84.949     72.589   29.182  10.136  24.489  9.1229  4.693256       13.63684 
1 1 1 -6  -51 42 o 43.240  6.5304  257.663    66.381   242.710    103.741  268.030    86.378   38.029  10.760  42.238  8.7172  -4.209465      13.84778 
1 1 1 -6  -51 43 o 33.021  7.8632  160.449    62.099   308.099    95.563   52.532     81.699   44.956  9.0734  22.213  9.2205  22.74327       12.93620 
1 1 1 -6  -51 44 o 28.902  7.9901  124.429    57.907   90.028     90.893   147.931    75.126   25.242  9.9946  30.624  9.2956  -5.381926      13.64920 
1 1 1 -6  -51 45 o 25.911  8.1581  100.013    57.240   226.004    93.317   24.015     72.475   37.203  10.085  19.577  8.4283  17.62537       13.14313 
1 1 1 -6  -51 46 o 14.842  6.8563  -27.8137   57.864   27.524     128.652  -41.8468   64.786   23.433  10.593  15.054  7.0541  8.379443       12.72669 
1 1 1 -6  -51 47 o 90.012  6.5189  1109.80    141.413  1590.99    239.598  852.572    175.178  100.678 9.9378  73.395  10.105  27.28313       14.17269 
1 1 1 -6  -51 48 o 17.652  7.5855  15.419     58.501   -90.0977   123.204  46.134     66.473   19.095  9.1679  20.719  8.4278  -1.624018      12.45302 
1 1 1 -6  -51 49 o 31.205  6.3373  135.440    46.346   202.253    96.678   115.504    52.810   34.629  10.553  28.052  7.5792  6.576965       12.99232 
1 1 1 -6  -51 50 o 12.150  5.5863  -20.5279   37.778   -72.8916   85.448   -7.8063    42.117   16.237  7.7522  13.802  6.1641  2.434706       9.904159 
1 1 1 -6  -51 51 o 15.759  6.5553  16.253     41.420   73.125     90.392   1.1371     46.601   24.035  9.8080  15.155  6.6380  8.880177       11.84309 
1 1 1 -6  -51 52 o 17.103  6.8144  28.345     42.496   82.499     90.430   12.996     48.144   24.676  9.9031  16.304  6.9403  8.371944       12.09295 
1 1 1 -6  -51 53 o 23.915  11.001  17.049     146.750  17.049     146.750  0.0000     0.0000   23.915  11.001  ?       ?       0.000000       11.00106 
1 1 1 -6  -51 54 o 20.129  8.1557  43.376     61.967   -35.2436   140.059  62.511     69.098   21.767  10.254  22.171  8.7347  -0.4040279     13.46992 
1 1 1 -6  -51 55 o 19.268  8.0546  32.601     62.971   170.652    144.074  0.0003     70.013   30.247  12.367  17.745  7.9345  12.50216       14.69366 
1 1 1 -6  -51 56 o 23.093  8.6640  76.367     65.697   90.276     150.168  73.075     73.060   26.238  11.684  23.007  9.0069  3.231071       14.75285 
1 1 1 -6  -51 57 o 23.826  8.7904  85.435     67.072   25.263     156.794  98.912     74.204   23.842  11.107  25.120  9.2495  -1.278791      14.45382 
1 1 1 -6  -50 1  o 36.966  10.512  230.551    98.765   235.178    114.455  217.059    195.440  36.064  11.556  32.147  13.840  3.916901       18.03016 
1 1 1 -6  -50 2  o 19.169  8.5279  6.9808     79.782   35.962     89.496   -105.1917  176.073  21.566  9.3250  22.080  10.689  -0.5138588     14.18498 
1 1 1 -6  -50 3  o 26.000  9.8458  101.418    85.288   61.727     96.138   248.080    184.802  23.522  9.8997  34.031  13.971  -10.50883      17.12291 
1 1 1 -6  -50 4  o 22.044  8.9625  55.885     75.128   83.840     82.856   -73.3577   178.155  24.541  9.5960  22.961  11.024  1.580162       14.61559 
1 1 1 -6  -50 5  o 19.344  7.8979  36.414     58.653   38.928     84.017   34.024     81.918   21.404  9.1411  20.952  8.9890  0.4523716      12.82039 
1 1 1 -6  -50 6  o 12.758  6.0759  -51.9053   51.795   -53.0144   72.136   -50.7251   74.415   15.475  7.3109  15.839  7.4653  -0.3637447     10.44889 
1 1 1 -6  -50 7  f 31.861  8.2475  152.758    64.257   119.993    94.534   180.895    87.606   27.524  10.380  33.202  10.029  -5.677874      14.43322 
1 1 1 -6  -50 8  o 20.777  7.9244  54.132     55.499   92.544     83.993   24.366     73.940   25.250  9.7201  19.732  8.5039  5.518269       12.91499 
1 1 1 -6  -50 9  o 27.222  8.2288  111.093    58.961   89.970     88.862   127.706    78.808   25.194  9.9119  28.421  9.6120  -3.227009      13.80715 
1 1 1 -6  -50 10 o 51.706  5.8388  358.943    71.971   367.421    108.868  352.361    95.922   48.698  9.5548  48.896  8.3870  -0.1979790     12.71362 
1 1 1 -6  -50 11 o 36.908  7.2514  193.694    62.623   168.001    95.230   213.270    83.124   31.786  10.565  37.079  9.2654  -5.292402      14.05216 
1 1 1 -6  -50 12 o 40.909  6.7045  231.693    64.245   226.495    96.749   235.792    85.923   37.284  10.335  39.210  9.1912  -1.925987      13.83114 
1 1 1 -6  -50 13 o 26.954  7.9904  106.538    55.996   62.143     81.860   145.579    76.765   23.096  9.3681  30.581  9.4183  -7.484810      13.28400 
1 1 1 -6  -50 14 o 19.464  7.4734  43.399     49.569   76.371     69.451   9.1627     70.769   23.779  8.9107  18.687  8.1828  5.092342       12.09789 
1 1 1 -6  -50 15 o 25.826  8.2182  96.747     57.965   87.044     78.980   108.075    85.340   25.098  9.4819  27.031  9.9243  -1.933065      13.72582 
1 1 1 -6  -50 16 o 29.026  8.1417  123.189    59.668   114.605    82.481   132.614    86.423   27.669  9.8085  29.299  10.064  -1.629587      14.05307 
1 1 1 -6  -50 17 o 30.591  7.8606  135.045    58.661   148.501    79.196   118.690    87.314   31.112  9.5637  28.123  10.079  2.988716       13.89404 
1 1 1 -6  -50 18 o 49.526  6.0384  326.708    71.062   260.589    98.095   399.721    103.083  41.131  9.9397  52.900  8.3045  -11.76887      12.95229 
1 1 1 -6  -50 19 o 71.999  5.0813  669.345    88.199   589.105    124.600  749.929    124.866  64.623  8.1260  74.270  7.0119  -9.646645      10.73310 
1 1 1 -6  -50 20 o 57.835  5.5771  437.699    77.293   454.308    106.757  419.400    112.053  56.916  7.9472  53.782  8.8978  3.133526       11.93013 
1 1 1 -6  -50 21 o 32.005  9.8985  156.819    84.692   156.819    84.692   0.0000     0.0000   32.005  9.8985  ?       ?       0.000000       9.898499 
1 1 1 -6  -50 22 o 24.391  9.2577  76.278     75.512   76.278     75.512   0.0000     0.0000   24.391  9.2577  ?       ?       0.000000       9.257663 
1 1 1 -6  -50 23 o 48.440  7.8621  327.911    89.240   323.690    98.189   347.953    213.958  47.290  8.8833  41.018  15.580  6.271568       17.93435 
1 1 1 -6  -50 24 o 42.121  7.8838  249.147    77.613   301.532    99.687   168.519    123.673  45.206  9.3948  32.467  11.943  12.73915       15.19534 
1 1 1 -6  -50 25 o 53.220  6.8225  382.031    86.073   323.223    110.729  471.818    136.821  46.188  10.157  55.715  10.506  -9.526978      14.61293 
1 1 1 -6  -50 26 o 20.594  8.1177  43.816     59.711   8.7287     76.307   99.234     95.899   19.543  8.5287  27.105  10.398  -7.562092      13.44825 
1 1 1 -6  -50 27 o 38.480  8.1659  210.386    73.883   210.516    95.175   210.189    117.203  36.991  10.250  35.900  11.710  1.091209       15.56261 
1 1 1 -6  -50 28 o 19.119  7.9837  24.053     61.772   19.430     82.295   30.021     93.491   20.778  8.9631  22.341  9.5946  -1.563475      13.12988 
1 1 1 -6  -50 29 o 32.175  8.8337  151.522    71.065   165.579    89.641   127.741    116.595  32.897  10.185  29.673  11.444  3.224289       15.31990 
1 1 1 -6  -50 30 o 30.623  8.8642  137.230    69.637   227.770    89.520   -1.5066    110.815  39.079  9.5272  22.081  9.9201  16.99749       13.75412 
1 1 1 -6  -50 31 o 31.820  11.459  158.157    113.002  0.0000     0.0000   158.157    113.002  ?       ?       31.820  11.459  0.000000       11.45928 
1 1 1 -6  -50 32 o 35.154  8.2177  176.941    68.838   0.0000     0.0000   176.941    68.838   ?       ?       35.154  8.2177  0.000000       8.217733 
1 1 1 -6  -50 33 o 35.078  8.3679  177.306    70.226   0.0000     0.0000   177.306    70.226   ?       ?       35.078  8.3679  0.000000       8.367909 
1 1 1 -6  -50 34 o 31.982  6.8908  141.040    51.896   152.172    79.702   132.847    68.378   31.796  9.5573  30.103  8.8039  1.693563       12.99429 
1 1 1 -6  -50 35 o 18.871  6.9401  41.868     41.758   11.257     59.081   72.424     59.028   17.796  7.6344  23.343  8.2952  -5.547905      11.27364 
1 1 1 -6  -50 36 o 56.178  4.7151  404.348    63.678   335.728    92.999   464.915    87.372   48.711  8.1567  59.185  6.1750  -10.47339      10.23051 
1 1 1 -6  -50 37 o 66.299  4.4603  559.605    71.335   494.778    103.463  618.345    98.486   60.092  7.2417  68.447  5.9903  -8.355064      9.398185 
1 1 1 -6  -50 38 o 35.026  6.0430  164.831    49.503   214.154    70.966   118.086    69.087   38.888  7.7923  28.295  8.9687  10.59347       11.88098 
1 1 1 -6  -50 39 o 31.188  6.4486  133.260    47.189   110.851    67.174   155.093    66.304   27.486  8.8576  32.575  8.3498  -5.089613      12.17280 
1 1 1 -6  -50 40 o 33.712  6.2482  154.385    49.228   158.490    70.432   150.463    68.834   32.649  8.7242  31.833  8.6749  0.8161850      12.30310 
1 1 1 -6  -50 41 o 22.111  7.3873  66.679     46.543   137.169    68.454   6.0770     63.471   30.280  8.7954  17.797  7.7723  12.48380       11.73745 
1 1 1 -6  -50 42 o 19.017  6.9573  44.093     41.887   37.094     59.892   50.793     58.604   19.755  8.0130  20.897  8.0982  -1.142799      11.39250 
1 1 1 -6  -50 43 o 31.219  7.9179  142.049    60.067   113.471    96.566   160.085    76.715   27.547  10.466  32.240  9.2955  -4.693501      13.99781 
1 1 1 -6  -50 44 o 52.727  5.7117  369.389    71.905   314.170    107.383  414.274    96.814   44.635  10.145  54.195  7.5689  -9.559845      12.65742 
1 1 1 -6  -50 45 o 21.261  7.9846  57.252     55.826   114.239    91.267   23.185     70.566   27.407  10.226  19.529  8.3598  7.877880       13.20789 
1 1 1 -6  -50 46 o 45.574  4.8435  270.455    52.739   228.669    101.026  286.108    61.833   37.166  10.653  46.365  5.6104  -9.199055      12.04016 
1 1 1 -6  -50 47 o 26.434  9.6068  104.844    79.675   0.0000     0.0000   104.844    79.675   ?       ?       26.434  9.6068  0.000000       9.606813 
1 1 1 -6  -50 48 o 24.344  9.3246  81.722     77.050   0.0000     0.0000   81.722     77.050   ?       ?       24.344  9.3246  0.000000       9.324624 
1 1 1 -6  -50 49 o 27.711  9.1515  117.655    71.496   337.245    137.150  35.714     83.780   43.072  12.432  21.329  9.1190  21.74302       15.41782 
1 1 1 -6  -50 50 o 18.201  7.7779  18.160     60.896   85.822     123.906  -3.3886    69.924   26.187  11.140  17.747  7.9328  8.440037       13.67603 
1 1 1 -6  -50 51 o 14.541  6.2441  5.4709     39.588   -57.5011   90.118   20.529     44.068   17.375  8.1971  16.550  6.8117  0.8249817      10.65800 
1 1 1 -6  -50 52 o 34.755  6.3352  166.011    51.457   168.009    102.030  165.329    59.590   31.676  10.932  33.958  7.4379  -2.282549      13.22223 
1 1 1 -6  -50 53 o 15.742  6.6501  12.350     43.644   63.365     96.138   -0.8932    48.982   23.842  9.9582  15.388  6.7712  8.453456       12.04220 
1 1 1 -6  -50 54 o 19.635  8.1243  34.175     63.136   119.062    141.027  12.897     70.607   28.321  11.958  18.804  8.2052  9.516964       14.50275 
1 1 1 -6  -50 55 o 16.995  7.6429  -8.2280    65.972   76.364     141.803  -31.5949   74.529   26.216  11.529  16.751  7.7531  9.464987       13.89316 
1 1 1 -6  -50 56 o 13.769  6.5204  -50.0496   58.021   -65.5330   142.217  -46.9579   63.550   21.128  10.063  14.665  6.9079  6.462756       12.20622 
1 1 1 -6  -50 57 o 39.026  8.5333  231.008    78.552   263.680    166.126  221.599    89.148   34.961  13.611  36.937  9.7892  -1.976460      16.76533 
1 1 1 -6  -50 58 o 14.974  6.8594  -19.5392   56.246   1.8681     144.581  -23.3568   61.056   22.881  10.661  15.378  7.0822  7.502967       12.79927 
1 1 1 -6  -49 1  o 18.625  7.7253  28.064     57.285   146.006    77.432   -114.5348  85.141   30.500  9.4700  14.946  7.2809  15.55384       11.94542 
1 1 1 -6  -49 2  o 22.348  8.4100  65.636     61.994   107.860    85.411   18.624     90.123   26.743  9.9091  20.820  9.1723  5.922970       13.50261 
1 1 1 -6  -49 3  o 21.345  8.2472  56.002     60.639   52.965     83.357   59.415     88.376   22.435  9.3132  23.149  9.5979  -0.7139034     13.37374 
1 1 1 -6  -49 4  o 20.386  7.8574  49.691     54.937   88.178     73.189   0.0185     83.147   24.807  9.1765  19.227  8.6184  5.580128       12.58908 
1 1 1 -6  -49 5  o 27.407  8.3368  112.161    60.381   102.119    82.421   123.794    88.707   26.203  9.7291  28.088  10.148  -1.884775      14.05802 
1 1 1 -6  -49 6  o 27.070  8.3465  109.123    60.269   33.306     84.187   188.826    86.318   21.232  9.1110  34.380  9.8451  -13.14804      13.41402 
1 1 1 -6  -49 7  o 23.244  8.3027  75.014     59.207   120.440    83.279   28.588     84.191   27.904  9.8597  20.979  9.0576  6.925646       13.38859 
1 1 1 -6  -49 8  o 17.144  7.3719  11.420     55.318   -5.3642    84.545   23.984     73.149   19.166  8.6326  19.831  8.5008  -0.6645927     12.11551 
1 1 1 -6  -49 9  o 47.321  6.0667  300.914    68.054   326.448    103.206  281.270    90.522   46.281  9.5086  43.446  8.8866  2.834251       13.01479 
1 1 1 -6  -49 10 o 16.938  7.2018  13.422     51.732   61.986     78.807   -23.3499   68.575   23.074  9.2503  16.625  7.6004  6.449133       11.97221 
1 1 1 -6  -49 11 o 23.980  8.0241  80.563     54.915   117.290    82.895   51.839     73.308   27.957  9.8414  22.028  8.8895  5.928940       13.26186 
1 1 1 -6  -49 12 o 15.127  6.7895  -12.1790   51.776   -87.3369   82.554   36.554     66.476   15.681  7.5223  20.372  8.3732  -4.690889      11.25594 
1 1 1 -6  -49 13 o 41.069  6.5445  228.609    63.027   212.018    94.913   241.695    84.296   36.823  10.247  40.615  8.8074  -3.792027      13.51223 
1 1 1 -6  -49 14 o 43.668  6.2338  255.062    64.176   263.324    94.772   248.065    87.215   41.927  9.5317  41.094  8.9963  0.8329353      13.10669 
1 1 1 -6  -49 15 f 72.488  4.9394  673.976    86.360   635.296    123.744  710.702    120.579  67.900  7.6438  72.602  6.9289  -4.701668      10.31683 
1 1 1 -6  -49 16 o 33.592  7.7212  159.058    61.615   141.335    86.017   177.736    88.303   30.635  10.034  34.129  10.011  -3.494247      14.17432 
1 1 1 -6  -49 17 o 34.978  7.4967  170.448    61.712   184.838    85.489   154.790    89.174   35.065  9.7137  31.938  10.196  3.127138       14.08276 
1 1 1 -6  -49 18 o 16.723  7.1955  6.2740     52.767   -18.5652   72.078   34.961     77.459   17.569  7.9367  21.451  8.9473  -3.881268      11.96015 
1 1 1 -6  -49 19 o 12.358  5.8125  -40.8642   44.692   73.818     56.803   -227.2045  72.406   23.588  8.1558  11.014  5.5669  12.57390       9.874550 
1 1 1 -6  -49 20 o 23.782  9.2915  64.570     77.630   64.570     77.630   0.0000     0.0000   23.782  9.2915  ?       ?       0.000000       9.291451 
1 1 1 -6  -49 21 o 33.374  9.5649  164.395    81.446   164.395    81.446   0.0000     0.0000   33.374  9.5649  ?       ?       0.000000       9.564934 
1 1 1 -6  -49 22 o 28.881  7.7421  116.598    55.361   175.771    76.358   51.026     80.382   34.863  8.9737  22.970  9.2949  11.89309       12.91988 
1 1 1 -6  -49 23 o 27.204  7.2034  101.953    48.299   64.167     75.168   128.523    63.033   23.684  9.1734  30.110  8.3409  -6.425604      12.39844 
1 1 1 -6  -49 24 o 16.330  6.7557  15.232     43.645   76.049     68.394   -26.5497   56.689   24.411  8.8963  15.159  6.9223  9.252693       11.27217 
1 1 1 -6  -49 25 o 34.289  6.6713  158.393    53.507   186.813    81.195   136.577    71.140   35.861  9.2652  30.833  8.9693  5.028790       12.89541 
1 1 1 -6  -49 26 o 59.532  4.8667  451.086    69.684   439.353    102.600  461.132    94.940   56.898  7.6233  58.958  6.7586  -2.060196      10.18793 
1 1 1 -6  -49 27 o 13.933  6.3205  -20.0040   46.277   -9.1499    68.265   -29.2333   62.949   17.766  7.8967  15.918  7.2790  1.847939       10.73973 
1 1 1 -6  -49 28 o 15.184  6.9288  -26.2537   56.659   -51.7893   75.976   5.7415     85.044   16.544  7.7151  20.486  8.9705  -3.942610      11.83182 
1 1 1 -6  -49 29 o 98.173  6.1984  1254.78    146.892  1383.13    193.147  1078.69    226.228  100.922 7.9519  84.757  11.280  16.16517       13.80149 
1 1 1 -6  -49 30 o 45.046  11.777  318.926    130.172  0.0000     0.0000   318.926    130.172  ?       ?       45.046  11.777  0.000000       11.77702 
1 1 1 -6  -49 31 o 31.565  11.327  147.257    110.313  0.0000     0.0000   147.257    110.313  ?       ?       31.565  11.327  0.000000       11.32686 
1 1 1 -6  -49 32 o 23.781  9.9995  43.526     97.943   0.0000     0.0000   43.526     97.943   ?       ?       23.781  9.9995  0.000000       9.999454 
1 1 1 -6  -49 33 o 21.296  8.3722  46.282     63.356   114.694    82.178   -53.9615   99.476   28.466  9.8116  19.085  8.8762  9.380527       13.23082 
1 1 1 -6  -49 34 o 26.750  8.4381  100.028    61.212   79.707     74.506   142.227    107.368  24.983  9.2553  31.039  11.171  -6.055639      14.50678 
1 1 1 -6  -49 35 o 17.378  6.6580  30.463     39.288   19.237     55.935   41.393     55.195   18.206  7.5993  20.117  7.8416  -1.911465      10.91970 
1 1 1 -6  -49 36 o 26.229  6.9016  94.459     44.517   155.323    65.595   42.487     60.614   33.077  8.2111  20.669  8.1689  12.40768       11.58243 
1 1 1 -6  -49 37 o 13.862  6.0668  -3.3701    38.854   -31.4482   54.140   26.448     55.793   14.443  6.6579  18.763  7.6867  -4.320152      10.16921 
1 1 1 -6  -49 38 o 27.554  6.7395  104.155    44.685   35.982     63.486   171.093    62.908   20.304  8.2450  35.012  7.6213  -14.70762      11.22785 
1 1 1 -6  -49 39 o 41.525  5.4020  224.808    53.140   309.723    79.098   154.952    71.742   47.784  7.0324  32.577  8.8474  15.20653       11.30183 
1 1 1 -6  -49 40 o 72.677  4.3629  668.789    76.581   616.552    110.001  717.918    106.678  67.819  6.7753  73.966  5.9956  -6.146179      9.047247 
1 1 1 -6  -49 41 o 41.370  5.5773  224.765    54.559   195.250    78.987   251.696    75.451   36.412  8.9933  42.536  7.5888  -6.124016      11.76732 
1 1 1 -6  -49 42 o 44.284  5.2751  255.518    55.567   262.768    80.175   248.816    77.082   43.158  7.9492  42.046  7.8440  1.111271       11.16772 
1 1 1 -6  -49 43 o 19.755  7.1804  47.783     44.512   39.937     65.647   54.460     60.559   20.630  8.3815  21.535  8.2625  -0.9059181     11.76938 
1 1 1 -6  -49 44 o 25.464  8.1813  92.420     57.340   202.095    89.469   15.971     74.697   36.117  9.9099  19.670  8.5121  16.44688       13.06380 
1 1 1 -6  -49 45 o 16.740  6.6660  25.139     40.646   76.805     80.375   7.3863     47.114   24.422  9.4783  15.892  6.8176  8.529526       11.67557 
1 1 1 -6  -49 46 o 44.029  5.0840  252.896    53.314   270.658    100.139  245.870    62.983   41.678  10.025  42.661  6.2718  -0.9827271     11.82503 
1 1 1 -6  -49 47 o 9.6521  4.7078  -60.0742   35.900   12.627     103.763  -69.9600   38.263   21.748  9.6967  9.6988  4.7578  12.04945       10.80103 
1 1 1 -6  -49 48 o 11.822  5.4744  -24.8536   37.226   -38.5681   78.524   -20.8778   42.279   17.017  7.9048  12.995  5.9508  4.021527       9.894376 
1 1 1 -6  -49 49 o 19.862  8.0103  39.256     59.483   158.515    125.053  4.3839     67.622   30.816  11.861  18.064  7.9522  12.75176       14.28005 
1 1 1 -6  -49 50 o 25.476  8.8688  94.262     67.224   -12.6939   130.136  133.189    78.510   22.414  10.329  29.327  9.5853  -6.913738      14.09106 
1 1 1 -6  -49 51 o 24.269  8.8400  82.142     67.520   157.070    133.198  56.230     78.329   30.689  12.116  22.527  9.1543  8.161825       15.18516 
1 1 1 -6  -49 52 o 25.417  7.2603  92.019     47.003   122.710    96.073   82.361     53.894   28.248  10.501  24.078  7.9452  4.170017       13.16793 
1 1 1 -6  -49 53 o 32.381  6.7206  145.772    51.074   66.216     102.425  172.100    58.922   24.522  10.264  34.955  7.1871  -10.43370      12.52973 
1 1 1 -6  -49 54 o 24.497  7.4880  85.360     48.628   26.104     101.201  103.149    55.449   22.202  9.7520  26.633  7.9641  -4.431805      12.59075 
1 1 1 -6  -49 55 o 42.549  7.9531  260.348    79.090   408.965    165.625  216.449    90.016   46.205  13.752  37.111  9.8375  9.094833       16.90865 
1 1 1 -6  -49 56 o 20.549  8.7356  31.173     76.089   0.0000     0.0000   31.173     76.089   ?       ?       20.549  8.7356  0.000000       8.735610 
1 1 1 -6  -49 57 o 23.481  8.9293  74.317     70.335   0.0000     0.0000   74.317     70.335   ?       ?       23.481  8.9293  0.000000       8.929299 
1 1 1 -6  -49 58 o 19.839  8.0654  40.001     60.838   -115.9422  147.204  72.124     66.811   20.193  9.7750  23.033  8.7162  -2.840654      13.09667 
1 1 1 -6  -49 59 o 23.259  8.6505  76.615     65.213   304.364    156.031  28.411     71.784   37.978  13.488  19.708  8.4339  18.26985       15.90750 
1 1 1 -6  -48 1  o 28.667  8.7102  123.494    65.938   162.703    94.193   85.814     92.337   31.647  10.507  25.332  10.060  6.315115       14.54622 
1 1 1 -6  -48 2  f 10.795  5.3655  -120.3053  54.609   -166.1698  73.506   -63.8098   81.582   12.248  6.1094  16.293  7.7203  -4.045391      9.845151 
1 1 1 -6  -48 3  o 8.4100  4.2752  -174.4508  47.298   -213.6141  59.233   -105.5479  78.568   9.4292  4.7924  14.505  7.0499  -5.075785      8.524591 
1 1 1 -6  -48 4  o 62.764  5.3816  516.594    81.163   553.753    114.461  479.015    115.106  62.681  7.6870  57.388  8.5255  5.293350       11.47932 
1 1 1 -6  -48 5  o 25.943  8.3031  97.842     59.104   29.866     79.592   181.409    88.248   20.845  8.8996  33.834  10.031  -12.98849      13.41004 
1 1 1 -6  -48 6  o 44.186  6.1798  262.744    64.442   232.928    91.561   292.012    90.716   38.820  9.7374  44.618  8.6917  -5.798134      13.05229 
1 1 1 -6  -48 7  o 15.948  7.0073  -1.1190    52.289   25.245     72.710   -29.3575   75.251   20.060  8.5338  17.170  7.8908  2.889536       11.62284 
1 1 1 -6  -48 8  o 12.731  6.0421  -50.8913   50.353   -48.2939   74.410   -53.0853   68.389   16.238  7.5935  15.266  7.1835  0.9722786      10.45293 
1 1 1 -6  -48 9  o 47.387  6.1080  298.760    68.594   380.930    101.541  229.786    93.030   51.743  8.3739  38.797  9.8613  12.94553       12.93708 
1 1 1 -6  -48 10 o 19.503  8.2540  22.003     67.434   8.2858     202.405  23.715     71.520   27.563  12.764  20.019  8.4880  7.544062       15.32898 
1 1 1 -6  -48 11 o 22.705  8.8369  58.997     70.014   146.032    202.374  47.163     74.622   32.331  14.001  22.057  8.9452  10.27416       16.61449 
1 1 1 -6  -48 12 o 60.784  6.4981  490.721    94.355   774.873    241.198  439.380    102.525  64.848  15.533  56.563  7.6678  8.284943       17.32288 
1 1 1 -6  -48 13 o 36.579  8.4890  191.092    73.892   -3.8787    197.073  222.986    79.707   27.452  12.671  39.550  8.5547  -12.09780      15.28884 
1 1 1 -6  -48 14 o 28.381  8.8816  114.807    67.958   428.337    201.799  74.701     72.174   47.685  15.351  24.398  9.0952  23.28669       17.84300 
1 1 1 -6  -48 15 o 16.159  6.8116  10.397     45.633   28.939     69.106   -3.9394    60.765   20.398  8.4748  17.123  7.5379  3.275259       11.34206 
1 1 1 -6  -48 16 o 21.710  7.5368  59.799     48.532   63.956     72.815   56.476     65.099   23.573  9.0563  22.398  8.5730  1.174585       12.47051 
1 1 1 -6  -48 17 o 21.446  7.9654  53.511     55.257   12.147     82.712   86.852     74.259   20.674  8.9519  25.767  9.2882  -5.092348      12.89990 
1 1 1 -6  -48 18 f 39.140  6.7907  204.980    62.152   169.551    87.203   241.556    88.606   33.988  9.9428  41.156  9.1134  -7.167038      13.48756 
1 1 1 -6  -48 19 o 73.994  6.8060  720.728    120.825  720.728    120.825  0.0000     0.0000   73.994  6.8060  ?       ?       0.000000       6.806002 
1 1 1 -6  -48 20 o 48.316  8.4713  322.859    95.692   322.859    95.692   0.0000     0.0000   48.316  8.4713  ?       ?       0.000000       8.471285 
1 1 1 -6  -48 21 f 63.785  5.0096  516.521    76.909   433.222    106.923  605.820    110.707  56.481  8.0280  67.880  6.8135  -11.39886      10.52961 
1 1 1 -6  -48 22 o 116.656 4.4296  1703.11    125.383  1658.93    184.636  1740.92    170.808  112.678 6.7849  116.257 6.0762  -3.578468      9.107963 
1 1 1 -6  -48 23 o 19.782  7.3017  43.879     46.288   18.237     72.120   61.841     60.361   20.130  8.5286  22.779  8.3490  -2.649473      11.93492 
1 1 1 -6  -48 24 o 44.731  5.4621  257.317    58.052   336.120    89.156   199.318    76.487   50.008  7.5857  37.803  8.5402  12.20506       11.42269 
1 1 1 -6  -48 25 o 58.058  4.9616  427.396    69.224   420.776    103.638  432.729    93.016   55.867  7.8630  57.360  6.8167  -1.493717      10.40644 
1 1 1 -6  -48 26 o 51.165  5.2408  334.147    64.144   379.247    93.361   293.823    88.280   53.294  7.4211  46.389  8.1398  6.904919       11.01495 
1 1 1 -6  -48 27 o 25.788  7.6057  90.110     50.841   53.977     70.633   128.958    73.239   22.797  8.8749  30.288  9.1746  -7.491419      12.76469 
1 1 1 -6  -48 28 o 44.010  5.7383  250.439    59.818   264.306    86.473   237.714    82.837   43.767  8.4487  41.407  8.5288  2.359699       12.00503 
1 1 1 -6  -48 29 o 52.148  7.2660  362.008    89.439   0.0000     0.0000   362.008    89.439   ?       ?       52.148  7.2660  0.000000       7.265958 
1 1 1 -6  -48 30 o 38.714  7.5955  203.463    68.800   0.0000     0.0000   203.463    68.800   ?       ?       38.714  7.5955  0.000000       7.595519 
1 1 1 -6  -48 31 o 34.547  8.0597  164.949    66.323   0.0000     0.0000   164.949    66.323   ?       ?       34.547  8.0597  0.000000       8.059690 
1 1 1 -6  -48 32 o 114.919 6.1964  1704.09    172.140  1651.18    228.496  1773.54    261.769  110.107 8.6215  112.568 9.6779  -2.461098      12.96116 
1 1 1 -6  -48 33 o 51.321  6.4940  345.400    79.057   344.418    98.259   347.203    133.129  50.063  8.3854  47.800  11.597  2.263451       14.31083 
1 1 1 -6  -48 34 o 42.390  7.1261  240.825    70.695   232.089    87.094   257.697    121.039  40.459  9.0930  40.943  11.635  -0.4838943     14.76703 
1 1 1 -6  -48 35 o 71.576  6.1002  663.816    104.933  617.110    133.395  739.630    169.954  67.185  8.3639  71.977  10.002  -4.791519      13.03797 
1 1 1 -6  -48 36 o 28.500  8.3424  113.329    61.373   96.815     73.036   153.007    113.211  26.773  9.2485  32.313  11.487  -5.539471      14.74776 
1 1 1 -6  -48 37 o 9.2614  4.5240  -59.7488   33.510   -66.2355   45.709   -52.2116   49.271   11.360  5.4863  12.634  5.9904  -1.273878      8.123073 
1 1 1 -6  -48 38 o 27.203  6.8412  100.728    45.112   84.427     65.842   115.151    61.934   25.225  8.7773  28.637  8.3799  -3.412354      12.13523 
1 1 1 -6  -48 39 o 12.360  5.6293  -19.0858   37.172   32.649     52.174   -72.4171   52.973   19.043  7.5621  12.331  5.9430  6.711407       9.617928 
1 1 1 -6  -48 40 o 16.584  6.6292  22.145     40.348   -5.4552    57.133   49.604     56.987   16.538  7.2935  21.110  8.0351  -4.572128      10.85162 
1 1 1 -6  -48 41 o 42.973  5.3944  239.524    55.008   212.054    80.375   263.727    75.444   38.445  8.8055  44.004  7.3233  -5.558578      11.45284 
1 1 1 -6  -48 42 o 55.229  4.8106  389.424    63.821   334.010    92.135   440.540    88.489   49.048  8.0188  57.683  6.4318  -8.635033      10.27958 
1 1 1 -6  -48 43 o 22.890  7.2026  70.976     44.624   70.948     63.639   71.004     62.590   23.528  8.5804  23.485  8.5178  0.4267502E-01  12.09033 
1 1 1 -6  -48 44 o 16.953  6.7578  24.683     41.813   -40.7806   60.105   86.070     58.204   14.798  6.8880  24.938  8.2582  -10.14001      10.75370 
1 1 1 -6  -48 45 o 35.133  4.9372  160.165    40.926   120.615    76.762   175.872    48.375   28.652  9.4835  36.499  5.6445  -7.847095      11.03618 
1 1 1 -6  -48 46 f 11.928  5.4544  -18.9852   35.344   -29.8906   75.784   -15.9538   39.956   17.306  7.9405  13.011  5.8903  4.295596       9.886712 
1 1 1 -6  -48 47 o 11.626  5.4150  -28.6958   37.240   -8.7100    106.101  -31.5038   39.771   21.188  9.5951  11.932  5.5704  9.255715       11.09483 
1 1 1 -6  -48 48 o 35.754  5.8783  171.001    49.224   144.839    93.664   180.984    57.858   30.477  10.477  36.247  6.8291  -5.769604      12.50577 
1 1 1 -6  -48 49 o 30.773  6.4482  130.034    46.607   114.226    91.119   135.636    54.239   27.787  10.247  30.961  7.3329  -3.174124      12.60035 
1 1 1 -6  -48 50 o 49.161  7.5851  338.759    87.568   349.409    157.261  333.974    105.424  43.264  13.506  47.012  9.5674  -3.747814      16.55153 
1 1 1 -6  -48 51 o 17.232  7.5099  5.3535     58.984   -48.5974   121.096  22.135     67.537   20.677  9.6747  19.329  8.2237  1.348141       12.69761 
1 1 1 -6  -48 52 o 23.862  8.7688  76.879     66.646   126.777    131.158  59.511     77.380   29.184  11.851  22.863  9.1660  6.320709       14.98188 
1 1 1 -6  -48 53 o 35.167  6.4026  168.729    52.620   124.147    104.931  183.707    60.821   28.657  10.904  36.247  7.1694  -7.589621      13.05007 
1 1 1 -6  -48 54 o 37.920  6.1811  194.055    54.913   131.245    109.968  214.920    63.381   29.265  11.156  39.507  6.8608  -10.24115      13.09720 
1 1 1 -6  -48 55 o 15.942  6.7417  11.437     44.929   5.1243     95.078   13.252     50.981   20.816  9.2814  16.876  7.1614  3.939934       11.72310 
1 1 1 -6  -48 56 o 29.906  8.7926  133.587    68.042   250.273    151.196  103.954    76.194   36.675  13.248  26.672  9.4302  10.00352       16.26189 
1 1 1 -6  -48 57 f 30.912  8.8926  144.079    70.279   466.251    157.913  64.506     78.479   51.655  12.691  23.253  9.2617  28.40156       15.71083 
1 1 1 -6  -48 58 o 15.845  7.2392  -22.0195   62.097   -80.1341   144.107  -8.7678    68.814   21.206  10.109  17.396  7.8162  3.809530       12.77809 
1 1 1 -6  -48 59 o 37.496  8.4546  209.514    75.085   317.720    172.585  184.251    83.390   38.845  14.136  34.098  9.6465  4.746593       17.11349 
1 1 1 -6  -47 1  o 29.484  9.6650  133.262    79.799   0.0003     271.585  145.854    83.485   28.846  13.786  30.633  9.8749  -1.786564      16.95769 
1 1 1 -6  -47 2  o 31.586  10.142  156.759    88.120   21.959     186.493  195.506    99.986   26.702  12.326  34.705  10.759  -8.002924      16.36087 
1 1 1 -6  -47 3  o 34.719  9.7352  186.108    85.324   264.162    176.089  162.159    97.539   36.914  14.107  31.887  10.694  5.026587       17.70194 
1 1 1 -6  -47 4  o 23.532  9.5908  59.690     86.296   335.465    220.452  9.7842     93.780   39.501  15.589  21.040  9.3083  18.46055       18.15664 
1 1 1 -6  -47 5  o 29.275  10.316  128.835    91.102   300.905    220.454  93.398     100.045  38.272  15.426  26.650  10.507  11.62238       18.66430 
1 1 1 -6  -47 6  o 38.947  9.8538  229.856    93.191   137.211    225.700  248.897    102.320  32.248  14.345  40.094  10.422  -7.845890      17.73091 
1 1 1 -6  -47 7  o 12.469  6.0903  -99.4978   60.684   -445.1317  188.373  -59.4744   64.101   18.339  9.2345  14.501  6.8630  3.838682       11.50548 
1 1 1 -6  -47 8  o 36.998  10.051  206.831    92.574   359.333    218.173  173.345    102.233  42.379  15.810  33.466  10.938  8.913227       19.22523 
1 1 1 -6  -47 9  o 20.523  8.7068  23.088     75.325   -145.3409  196.488  52.105     81.556   23.936  11.514  23.095  9.3567  0.8410549      14.83644 
1 1 1 -6  -47 10 o 43.877  9.6566  281.122    100.020  152.015    218.445  315.369    112.506  33.703  14.571  45.990  10.334  -12.28700      17.86321 
1 1 1 -6  -47 11 o 47.305  8.9915  317.144    99.434   427.527    221.004  289.129    111.339  47.163  16.096  43.902  10.577  3.261066       19.26004 
1 1 1 -6  -47 12 o 37.673  9.7720  207.626    90.086   115.585    205.613  229.492    100.217  32.451  14.083  39.250  10.368  -6.799423      17.48769 
1 1 1 -6  -47 13 o 19.715  8.3795  16.457     69.992   126.118    189.294  -0.9100    75.331   32.572  13.810  19.181  8.4196  13.39133       16.17381 
1 1 1 -6  -47 14 o 22.293  8.8566  47.826     71.595   95.070     188.255  39.837     77.412   31.405  13.552  22.158  9.0632  9.246815       16.30319 
1 1 1 -6  -47 15 o 28.830  9.5074  115.216    77.175   214.257    181.305  93.300     85.288   37.054  14.276  27.002  9.9201  10.05173       17.38437 
1 1 1 -6  -47 16 o 35.957  9.3052  183.925    81.809   95.009     184.378  205.721    91.286   31.520  13.503  37.759  9.8577  -6.239199      16.71876 
1 1 1 -6  -47 17 o 72.544  7.1522  692.402    124.256  719.411    237.941  682.274    145.702  65.676  15.228  70.765  8.6667  -5.089249      17.52121 
1 1 1 -6  -47 18 o 61.444  14.917  623.143    220.154  623.143    220.154  0.0000     0.0000   61.444  14.917  ?       ?       0.000000       14.91661 
1 1 1 -6  -47 19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -6  -47 20 o 69.594  7.0872  634.445    118.008  720.621    218.098  598.771    140.324  68.013  13.690  66.184  8.9691  1.829613       16.36615 
1 1 1 -6  -47 21 o 35.620  8.1128  173.681    68.550   43.019     173.937  197.708    74.587   29.269  12.822  37.955  8.3278  -8.685707      15.28930 
1 1 1 -6  -47 22 o 31.301  8.2456  134.663    63.498   135.295    170.775  134.562    68.403   33.332  13.527  31.175  8.7078  2.157190       16.08754 
1 1 1 -6  -47 23 o 83.192  5.1086  872.619    102.623  1079.56    233.673  823.168    114.228  86.573  11.401  80.286  5.9051  6.287003       12.83987 
1 1 1 -6  -47 24 o 29.385  6.5819  114.816    45.763   73.239     77.888   136.736    56.554   25.148  9.4339  31.812  7.4565  -6.663954      12.02491 
1 1 1 -6  -47 25 o 39.734  5.3997  202.264    50.711   215.436    81.312   193.880    64.873   39.518  8.7142  38.107  7.2814  1.410713       11.35594 
1 1 1 -6  -47 26 o 38.928  6.4520  198.406    58.807   54.562     96.109   284.493    74.351   24.972  10.143  46.608  6.7727  -21.63563      12.19644 
1 1 1 -6  -47 27 o 35.506  6.9466  167.551    57.703   165.868    89.957   168.728    75.217   34.159  10.128  34.843  8.8730  -0.6840363     13.46493 
1 1 1 -6  -47 28 o 36.542  8.5542  184.039    74.507   0.0000     0.0000   184.039    74.507   ?       ?       36.542  8.5542  0.000000       8.554198 
1 1 1 -6  -47 29 o 39.518  7.4109  208.775    68.450   0.0000     0.0000   208.775    68.450   ?       ?       39.518  7.4109  0.000000       7.410949 
1 1 1 -6  -47 30 o 90.564  4.9997  1031.75    109.442  1078.03    221.719  1016.84    125.841  87.369  10.681  89.334  5.8376  -1.965439      12.17238 
1 1 1 -6  -47 31 o 32.900  5.9080  141.185    45.430   133.418    64.964   148.619    63.555   31.129  8.4044  32.971  8.0209  -1.842014      11.61761 
1 1 1 -6  -47 32 o 33.684  6.1100  148.542    48.098   182.999    69.633   117.101    66.515   36.626  8.0546  29.202  8.7205  7.423861       11.87109 
1 1 1 -6  -47 33 f 65.794  4.3616  541.322    69.235   571.867    100.885  514.129    95.190   66.569  6.3217  63.106  6.3008  3.462997       8.925461 
1 1 1 -6  -47 34 o 55.776  6.2232  402.180    82.785   321.714    104.018  541.221    136.733  48.085  9.2511  62.647  9.2755  -14.56225      13.10029 
1 1 1 -6  -47 35 o 55.383  6.2784  397.355    82.880   370.232    104.207  444.049    136.730  52.097  8.5396  55.669  10.508  -3.572033      13.54014 
1 1 1 -6  -47 36 o 67.961  5.9939  593.734    97.828   558.950    124.513  649.842    158.138  64.447  8.1443  68.078  9.8605  -3.630989      12.78903 
1 1 1 -6  -47 37 o 26.821  8.5020  97.536     62.084   33.344     76.802   218.571    105.461  21.735  8.9743  38.454  10.837  -16.71899      14.07085 
1 1 1 -6  -47 38 o 10.996  5.3592  -78.3182   46.269   -112.7367  55.828   -2.8219    82.683   11.412  5.6272  19.978  8.7939  -8.565714      10.44025 
1 1 1 -6  -47 39 o 21.417  7.0141  59.010     42.031   73.276     62.383   47.150     56.880   24.082  8.5309  21.042  8.0231  3.040203       11.71100 
1 1 1 -6  -47 40 o 27.158  6.8110  99.755     44.802   13.899     64.002   182.251    62.737   18.892  8.0209  36.676  7.3064  -17.78349      10.84983 
1 1 1 -6  -47 41 o 44.082  5.1571  249.147    54.118   240.764    77.673   257.057    75.444   41.874  7.9351  43.623  7.3916  -1.748341      10.84437 
1 1 1 -6  -47 42 o 46.314  5.0598  274.560    55.936   244.254    80.578   302.747    77.711   41.953  8.2096  47.637  6.9260  -5.683674      10.74087 
1 1 1 -6  -47 43 o 30.504  6.6541  125.802    47.864   146.828    68.864   106.153    66.573   32.105  8.6469  27.547  8.8117  4.557148       12.34563 
1 1 1 -6  -47 44 o 19.379  6.2141  48.527     33.093   51.108     62.210   47.508     39.081   21.653  8.3568  19.560  6.7648  2.092743       10.75171 
1 1 1 -6  -47 45 f 36.037  4.8599  167.230    41.412   167.696    76.682   167.038    49.204   33.923  9.1194  35.547  5.9124  -1.623734      10.86825 
1 1 1 -6  -47 46 f 11.903  5.2266  -4.5178    29.047   -32.8094   58.356   4.8002     33.490   14.996  6.9127  13.679  5.8046  1.316938       9.026585 
1 1 1 -6  -47 47 o 48.132  4.7935  296.874    55.238   346.264    100.565  275.535    66.102   49.252  8.7351  45.607  6.1284  3.644421       10.67047 
1 1 1 -6  -47 48 o 13.171  5.8894  -10.8105   38.576   17.450     79.712   -19.4536   44.082   20.398  8.8103  13.509  6.1437  6.889791       10.74087 
1 1 1 -6  -47 49 o 17.629  6.7516  32.550     40.391   92.649     84.785   14.906     45.939   26.127  9.8346  16.467  6.8813  9.660110       12.00298 
1 1 1 -6  -47 50 o 34.725  6.4415  163.773    52.277   261.366    103.095  129.994    60.653   40.986  10.361  30.005  8.1291  10.98022       13.16949 
1 1 1 -6  -47 51 o 41.714  8.4260  250.985    82.348   393.182    155.075  195.142    97.181   47.253  13.080  35.074  10.556  12.17883       16.80833 
1 1 1 -6  -47 52 o 25.048  8.8166  87.526     66.529   -21.5221   130.040  126.187    77.429   22.455  10.339  29.011  9.5209  -6.555622      14.05517 
1 1 1 -6  -47 53 o 17.836  7.6955  10.096     60.687   62.345     122.957  -6.7318    69.778   25.650  11.009  17.793  7.9412  7.856588       13.57427 
1 1 1 -6  -47 54 o 16.579  6.8065  19.344     43.865   -49.0726   97.118   36.879     49.166   18.693  8.7194  18.906  7.3922  -0.2122898     11.43120 
1 1 1 -6  -47 55 o 41.523  5.7370  228.090    56.257   220.594    107.060  230.950    66.121   36.900  11.074  41.080  6.8766  -4.180645      13.03504 
1 1 1 -6  -47 56 o 29.829  6.8715  123.508    48.710   -12.1689   100.935  164.699    55.614   20.614  9.3447  34.564  6.8732  -13.95053      11.60018 
1 1 1 -6  -47 57 o 21.838  8.4935  55.137     64.644   133.523    163.843  40.685     70.351   30.437  12.873  21.045  8.6277  9.391199       15.49665 
1 1 1 -6  -47 58 o 28.632  8.9913  122.023    69.579   254.859    161.252  91.632     77.129   36.800  13.619  25.611  9.4300  11.18942       16.56531 
1 1 1 -6  -47 59 o 39.165  8.3610  223.891    77.037   367.462    175.860  189.798    85.697   42.815  14.359  34.897  9.7463  7.917263       17.35446 
1 1 1 -6  -47 60 o 42.308  8.0119  258.736    79.237   344.774    181.753  238.546    88.044   40.349  14.533  39.418  9.3472  0.9304810      17.27915 
1 1 1 -6  -46 1  o 21.985  9.0058  46.132     76.577   54.347     158.993  43.651     87.380   27.056  12.038  22.583  9.4677  4.473524       15.31466 
1 1 1 -6  -46 2  o 36.623  9.6218  202.469    86.612   323.906    184.724  168.249    98.059   40.873  14.658  32.773  10.712  8.100033       18.15562 
1 1 1 -6  -46 3  o 30.571  10.699  141.382    97.900   0.0000     0.0000   141.382    97.900   ?       ?       30.571  10.699  0.000000       10.69928 
1 1 1 -6  -46 4  o 61.295  7.8814  517.888    114.503  418.555    251.057  543.977    128.665  43.968  16.834  61.961  8.8059  -17.99236      18.99821 
1 1 1 -6  -46 5  o 35.841  10.159  193.790    92.400   -22.7257   217.253  241.604    102.094  27.945  13.037  39.880  10.432  -11.93515      16.69656 
1 1 1 -6  -46 6  o 37.264  10.047  207.139    92.909   -120.6851  224.088  275.190    102.097  26.145  12.502  43.178  9.9496  -17.03349      15.97828 
1 1 1 -6  -46 7  o 42.384  9.9617  264.014    100.717  504.510    230.636  207.346    111.956  51.176  16.404  36.619  11.390  14.55651       19.97087 
1 1 1 -6  -46 8  o 44.946  9.5401  290.299    100.823  376.955    216.925  266.421    113.870  44.935  15.909  41.905  11.044  3.030064       19.36647 
1 1 1 -6  -46 9  o 83.274  5.2235  881.968    105.009  832.535    138.351  949.147    161.283  79.213  7.2796  83.860  8.0242  -4.647522      10.83424 
1 1 1 -6  -46 10 o 38.801  7.4885  203.941    67.949   226.182    91.539   176.647    101.406  39.696  9.6073  34.580  10.854  5.116287       14.49504 
1 1 1 -6  -46 11 o 57.135  5.8280  420.081    79.663   483.415    106.552  339.809    119.957  60.296  7.4408  48.345  10.525  11.95100       12.88934 
1 1 1 -6  -46 12 o 42.502  6.9225  239.232    68.933   224.417    93.397   256.958    102.162  39.617  9.7759  42.254  10.102  -2.636707      14.05737 
1 1 1 -6  -46 13 o 62.435  5.5268  496.779    82.862   628.846    112.415  339.650    122.618  69.514  6.7499  48.409  10.722  21.10509       12.66948 
1 1 1 -6  -46 14 o 46.452  8.3940  293.555    91.127   250.318    204.043  304.328    101.849  39.878  15.198  46.766  9.3029  -6.888268      17.81929 
1 1 1 -6  -46 15 o 44.717  8.6730  273.811    90.708   445.673    201.229  229.985    101.617  51.917  15.080  39.994  10.381  11.92319       18.30767 
1 1 1 -6  -46 16 o 58.409  7.7363  452.251    106.945  431.172    214.078  459.261    123.453  50.521  15.756  57.992  9.0707  -7.471073      18.18055 
1 1 1 -6  -46 17 o 61.483  14.712  602.141    216.539  602.141    216.539  0.0000     0.0000   61.483  14.712  ?       ?       0.000000       14.71184 
1 1 1 -6  -46 18 o 46.952  14.974  358.185    192.346  358.185    192.346  0.0000     0.0000   46.952  14.974  ?       ?       0.000000       14.97365 
1 1 1 -6  -46 19 o 85.946  6.6909  951.106    138.431  939.624    248.414  956.278    166.717  79.094  13.424  84.989  8.1857  -5.895210      15.72280 
1 1 1 -6  -46 20 o 22.019  8.2249  52.680     59.081   260.970    168.142  23.342     63.104   41.206  14.040  19.767  8.1453  21.43881       16.23128 
1 1 1 -6  -46 21 o 46.792  7.4761  289.282    82.024   454.812    184.152  248.314    91.613   54.144  13.935  42.450  9.1629  11.69421       16.67786 
1 1 1 -6  -46 22 o 54.826  6.6823  389.079    87.055   200.098    187.216  441.214    98.333   37.731  14.515  58.194  7.1120  -20.46263      16.16400 
1 1 1 -6  -46 23 o 81.492  6.1357  846.350    120.433  911.509    226.350  820.620    142.237  79.481  12.120  79.330  7.4777  0.1512222      14.24159 
1 1 1 -6  -46 24 o 56.712  6.6863  415.784    90.240   604.677    190.193  360.907    102.513  64.039  12.689  51.872  8.4346  12.16632       15.23638 
1 1 1 -6  -46 25 o 55.782  6.6060  401.780    87.676   425.154    186.672  395.164    99.312   52.082  14.324  54.751  7.6874  -2.668816      16.25676 
1 1 1 -6  -46 26 o 105.529 6.1115  1415.40    155.820  1716.54    268.537  1262.54    191.323  112.184 9.9691  97.967  8.1220  14.21785       12.85882 
1 1 1 -6  -46 27 o 51.783  6.0994  343.750    75.168   0.0000     0.0000   343.750    75.168   ?       ?       51.783  6.0994  0.000000       6.099409 
1 1 1 -6  -46 28 o 47.982  6.2914  296.706    71.481   0.0000     0.0000   296.706    71.481   ?       ?       47.982  6.2914  0.000000       6.291410 
1 1 1 -6  -46 29 o 78.355  4.2085  762.721    79.720   862.582    117.927  678.679    108.184  82.409  5.9374  72.921  6.1722  9.488159       8.564363 
1 1 1 -6  -46 30 o 57.644  4.3657  414.563    60.608   387.357    87.345   439.827    84.169   54.694  6.7233  58.688  5.9949  -3.994209      9.007805 
1 1 1 -6  -46 31 o 49.785  4.6343  310.961    55.338   265.778    79.550   353.328    77.031   44.771  7.5943  52.460  6.1696  -7.689167      9.784543 
1 1 1 -6  -46 32 o 28.353  6.4554  106.199    43.415   40.302     61.878   170.089    60.929   21.095  8.2801  35.751  7.2714  -14.65522      11.01974 
1 1 1 -6  -46 33 o 80.462  4.0927  803.629    79.640   831.465    114.632  777.658    110.726  80.888  5.8808  78.217  5.8772  2.671120       8.314180 
1 1 1 -6  -46 34 o 40.248  5.2669  206.393    50.202   231.770    70.280   179.955    71.733   41.901  7.1704  36.342  8.3149  5.559242       10.97964 
1 1 1 -6  -46 35 o 71.433  4.1717  634.749    71.992   563.461    103.041  702.733    100.626  66.129  6.5061  74.447  5.6118  -8.318527      8.591928 
1 1 1 -6  -46 36 o 55.968  5.5052  398.215    73.795   383.458    86.866   436.482    139.881  54.311  6.7364  55.333  10.806  -1.022560      12.73395 
1 1 1 -6  -46 37 o 48.291  6.8035  304.844    77.508   261.130    95.692   388.228    132.161  43.292  9.3808  52.030  10.821  -8.738659      14.32121 
1 1 1 -6  -46 38 o 31.305  8.3441  134.633    64.533   122.195    77.713   162.259    115.821  29.829  9.5182  33.790  11.648  -3.960596      15.04235 
1 1 1 -6  -46 39 o 57.654  6.3834  430.261    87.800   397.638    111.208  484.248    143.059  53.948  8.7990  58.349  10.490  -4.401257      13.69187 
1 1 1 -6  -46 40 o 47.751  6.9922  300.725    78.613   327.427    98.816   254.688    129.749  48.890  8.6463  40.890  12.172  7.999767       14.93077 
1 1 1 -6  -46 41 f 59.160  4.4999  439.598    64.109   495.652    92.231   387.197    89.174   61.911  6.2240  54.255  6.9324  7.655903       9.316430 
1 1 1 -6  -46 42 o 31.296  6.4159  130.214    47.085   119.272    67.832   140.388    65.409   29.286  8.8202  31.771  8.3686  -2.484404      12.15847 
1 1 1 -6  -46 43 o 78.174  4.2972  765.264    81.198   808.572    117.780  726.038    112.093  79.068  6.1885  74.875  6.2264  4.192810       8.778699 
1 1 1 -6  -46 44 o 50.154  4.1013  315.543    49.474   305.924    85.265   320.425    60.745   47.544  7.6508  50.119  5.0646  -2.575737      9.175184 
1 1 1 -6  -46 45 o 33.662  4.9782  145.954    39.434   57.057     71.513   184.794    47.270   22.982  8.9348  37.816  5.2969  -14.83403      10.38690 
1 1 1 -6  -46 46 o 41.861  4.4715  222.371    44.715   225.747    80.183   220.847    53.868   40.056  8.5123  41.256  5.5196  -1.199646      10.14526 
1 1 1 -6  -46 47 o 43.524  4.4496  240.435    46.331   300.133    84.824   215.054    55.310   46.784  7.7432  40.532  5.7883  6.251801       9.667573 
1 1 1 -6  -46 48 o 62.905  4.1609  498.025    63.149   494.299    105.091  500.130    79.004   60.489  7.3083  62.370  5.2698  -1.880684      9.010103 
1 1 1 -6  -46 49 o 26.958  7.0203  100.323    46.373   174.076    92.483   75.551     53.598   33.801  10.326  23.677  7.9273  10.12393       13.01771 
1 1 1 -6  -46 50 o 37.743  5.8124  188.252    51.521   199.296    99.094   184.160    60.315   35.790  10.634  36.660  7.0365  -0.8701744     12.75127 
1 1 1 -6  -46 51 o 24.261  7.2709  81.401     46.179   148.508    94.585   60.398     52.914   31.165  10.530  21.806  7.8427  9.358456       13.13001 
1 1 1 -6  -46 52 o 21.702  8.3965  53.640     62.922   -13.9662   123.450  77.368     73.135   22.453  10.239  24.423  9.1455  -1.969978      13.72837 
1 1 1 -6  -46 53 o 23.948  8.4955  77.045     61.886   50.025     128.073  85.275     70.687   25.510  11.092  25.053  9.0573  0.4564037      14.32052 
1 1 1 -6  -46 54 o 15.024  6.8422  -22.1617   54.915   -118.9507  116.267  5.6297     62.302   18.318  8.8224  17.779  7.7338  0.5384979      11.73226 
1 1 1 -6  -46 55 o 27.554  7.0777  105.823    47.570   59.544     98.789   119.793    54.277   24.409  10.136  29.099  7.6033  -4.689234      12.67102 
1 1 1 -6  -46 56 o 49.180  5.4091  314.962    63.481   28.097     119.706  427.199    74.877   24.026  10.578  57.318  5.4494  -33.29242      11.89952 
1 1 1 -6  -46 57 o 17.632  7.0069  28.113     44.825   100.336    97.738   8.8756     50.443   27.185  10.480  16.562  7.0783  10.62311       12.64607 
1 1 1 -6  -46 58 o 38.046  8.2610  207.517    74.076   315.706    155.849  175.942    84.195   41.772  13.495  34.011  9.7178  7.761169       16.62976 
1 1 1 -6  -46 59 o 44.890  7.7695  282.960    81.563   378.141    181.711  258.945    91.275   44.006  14.592  41.725  9.2576  2.280796       17.28108 
1 1 1 -6  -46 60 o 31.596  9.3628  152.015    76.894   46.807     179.388  175.697    85.110   27.286  12.404  33.643  9.8173  -6.357077      15.81860 
1 1 1 -6  -46 61 o 25.687  8.9781  95.784     68.925   169.958    167.516  80.667     75.623   31.544  13.158  24.413  9.2648  7.130846       16.09217 
1 1 1 -6  -45 1  o 62.906  5.0923  507.528    77.060   461.637    108.922  553.515    109.036  57.807  7.9782  64.114  7.1297  -6.307056      10.69976 
1 1 1 -6  -45 2  o 34.077  7.0892  158.739    56.707   174.131    76.959   140.454    83.879   34.645  9.0542  30.911  9.8913  3.734299       13.40959 
1 1 1 -6  -45 3  o 59.993  5.1705  460.660    74.531   427.260    107.532  491.540    103.395  55.665  8.2078  60.586  7.1726  -4.921261      10.90021 
1 1 1 -6  -45 4  o 15.547  6.7801  -2.0303    48.146   -30.1886   64.288   33.933     72.653   16.090  7.3568  21.202  8.7387  -5.112797      11.42312 
1 1 1 -6  -45 5  o 20.348  7.6896  44.909     51.953   86.677     70.951   -3.3714    76.283   25.743  9.1002  19.155  8.4386  6.588125       12.41063 
1 1 1 -6  -45 6  o 31.277  7.3590  133.339    54.916   109.714    77.428   157.252    77.900   28.276  9.5277  33.205  9.2990  -4.928625      13.31345 
1 1 1 -6  -45 7  o 37.971  6.6102  190.780    58.689   186.301    83.692   195.114    82.323   36.153  9.4389  37.132  9.1873  -0.9793282     13.17191 
1 1 1 -6  -45 8  o 33.460  7.2945  151.055    57.551   232.800    81.542   69.917     81.238   41.138  8.4518  24.974  9.5726  16.16361       12.76984 
1 1 1 -6  -45 9  o 20.919  7.7957  47.921     53.013   77.915     77.531   21.584     72.650   25.508  9.4430  20.571  8.6290  4.936909       12.79179 
1 1 1 -6  -45 10 o 74.598  4.6581  697.221    83.891   706.832    125.326  689.417    112.921  73.605  7.1056  73.149  6.4274  0.4566574      9.581296 
1 1 1 -6  -45 11 o 17.019  7.0780  13.322     48.273   20.392     73.226   7.8877     64.197   20.622  8.6575  18.689  7.9862  1.933615       11.77843 
1 1 1 -6  -45 12 f 28.336  7.3554  107.803    51.015   95.881     77.543   116.901    67.739   27.325  9.5245  29.311  8.8111  -1.986248      12.97497 
1 1 1 -6  -45 13 o 72.463  4.4716  654.958    78.238   692.142    117.647  625.473    104.761  73.292  6.6891  69.913  6.2412  3.379570       9.148614 
1 1 1 -6  -45 14 o 50.202  5.1933  318.639    62.345   314.131    93.767   322.211    83.468   48.414  8.2797  49.631  7.1364  -1.217033      10.93071 
1 1 1 -6  -45 15 o 95.197  4.8571  1132.61    111.820  1166.90    144.243  1080.98    177.018  95.728  6.2442  90.654  8.1341  5.073372       10.25444 
1 1 1 -6  -45 16 o 39.369  8.9727  212.315    83.805   212.315    83.805   0.0000     0.0000   39.369  8.9727  ?       ?       0.000000       8.972724 
1 1 1 -6  -45 17 o 116.414 5.3023  1696.76    149.773  1625.22    178.652  1865.96    274.746  112.854 6.5524  117.587 9.7167  -4.732277      11.71954 
1 1 1 -6  -45 18 o 60.313  4.8720  455.774    70.690   402.466    99.320   510.503    100.634  55.423  7.5845  63.007  6.6847  -7.583416      10.10989 
1 1 1 -6  -45 19 o 119.172 4.2882  1758.19    123.998  1799.25    180.865  1721.78    170.327  119.053 6.2834  116.653 6.0383  2.399811       8.714465 
1 1 1 -6  -45 20 o 29.391  6.4697  113.504    44.888   159.543    71.843   84.021     57.491   34.245  8.6450  25.485  8.1925  8.760584       11.91020 
1 1 1 -6  -45 21 o 28.803  7.1303  110.190    49.567   171.241    71.846   54.739     68.472   35.559  8.4514  23.100  8.8041  12.45911       12.20397 
1 1 1 -6  -45 22 o 83.037  6.0641  873.950    121.337  987.094    224.390  827.195    144.244  84.146  11.274  79.860  7.5330  4.286125       13.55878 
1 1 1 -6  -45 23 o 73.902  6.3089  695.405    112.045  1180.27    219.464  524.467    130.308  93.529  9.8170  62.721  8.8050  30.80825       13.18715 
1 1 1 -6  -45 24 o 68.680  6.2145  600.261    102.440  744.324    199.924  548.970    119.290  72.583  11.754  64.843  7.7346  7.740471       14.07028 
1 1 1 -6  -45 25 o 70.287  6.1668  627.978    104.109  713.492    200.124  596.248    121.903  70.769  12.089  67.721  7.5470  3.047867       14.25092 
1 1 1 -6  -45 26 o 66.537  7.3179  573.504    116.192  0.0000     0.0000   573.504    116.192  ?       ?       66.537  7.3179  0.000000       7.317861 
1 1 1 -6  -45 27 o 70.018  7.2810  634.106    121.890  0.0000     0.0000   634.106    121.890  ?       ?       70.018  7.2810  0.000000       7.281043 
1 1 1 -6  -45 28 o 74.618  6.0510  706.095    108.613  890.906    199.212  627.920    129.564  80.685  10.419  69.336  7.8389  11.34827       13.03855 
1 1 1 -6  -45 29 o 74.635  5.6931  703.014    102.322  662.383    168.294  726.842    128.879  69.542  10.284  75.070  7.1623  -5.528000      12.53225 
1 1 1 -6  -45 30 o 29.530  6.9256  115.381    48.764   -21.4060   107.439  150.870    54.725   22.039  9.8437  33.860  6.8952  -11.82078      12.01847 
1 1 1 -6  -45 31 o 27.924  6.1253  101.972    40.360   92.862     59.346   109.811    55.050   26.596  8.2960  28.665  7.7356  -2.069426      11.34298 
1 1 1 -6  -45 32 o 113.351 4.1283  1587.90    113.544  1596.29    162.536  1579.90    158.683  112.383 5.9821  111.890 5.8653  0.4929886      8.377796 
1 1 1 -6  -45 33 o 62.773  4.2446  489.670    64.271   458.891    92.510   518.387    89.358   59.830  6.4757  63.945  5.8230  -4.114735      8.708776 
1 1 1 -6  -45 34 o 106.679 4.0849  1406.44    105.736  1315.89    151.016  1493.51    148.093  101.860 6.1388  108.914 5.6230  -7.053398      8.324891 
1 1 1 -6  -45 35 o 49.038  4.6622  301.395    54.806   361.947    77.531   240.913    77.485   53.200  6.1175  42.579  7.7868  10.62094       9.902429 
1 1 1 -6  -45 36 o 89.128  4.0533  981.967    87.658   932.881    125.364  1028.93    122.616  85.705  6.0676  90.308  5.6236  -4.603394      8.272934 
1 1 1 -6  -45 37 o 45.833  4.8248  264.424    52.850   323.371    75.484   207.740    74.021   50.117  6.3497  39.325  8.0290  10.79234       10.23642 
1 1 1 -6  -45 38 o 64.882  6.2361  538.641    96.966   539.707    124.043  536.968    155.482  63.784  8.2052  61.833  10.754  1.951359       13.52661 
1 1 1 -6  -45 39 o 31.186  8.6619  133.062    67.883   44.012     83.616   305.220    116.263  23.387  9.4744  46.344  10.573  -22.95715      14.19677 
1 1 1 -6  -45 40 f 18.676  7.5647  24.219     53.296   73.373     64.166   -85.1267   95.705   24.463  8.6535  17.942  8.4592  6.521776       12.10130 
1 1 1 -6  -45 41 o 78.403  6.0305  784.963    113.844  685.455    147.379  932.182    179.262  71.371  8.6898  83.011  9.0465  -11.63973      12.54395 
1 1 1 -6  -45 42 o 18.693  7.0917  35.041     44.298   62.064     68.653   15.764     57.983   23.556  8.8530  18.480  7.7274  5.076447       11.75110 
1 1 1 -6  -45 43 o 30.869  5.1807  122.823    37.429   140.049    68.812   115.585    44.604   31.771  8.6800  29.516  6.4114  2.254599       10.79114 
1 1 1 -6  -45 44 o 43.930  4.2242  242.259    44.471   248.428    79.962   239.496    53.510   42.766  7.9999  43.311  5.1955  -0.5452309     9.538928 
1 1 1 -6  -45 45 o 21.629  6.1341  61.730     33.676   -18.6793   63.417   93.309     39.742   16.720  7.5086  26.454  6.2845  -9.733820      9.791550 
1 1 1 -6  -45 46 o 15.793  5.9332  25.155     30.830   -6.8743    61.636   35.842     35.604   17.182  7.5765  17.797  6.4290  -0.6153011     9.936535 
1 1 1 -6  -45 47 o 15.876  6.0963  23.807     32.985   60.964     65.562   11.214     38.167   22.971  8.6478  15.195  6.3045  7.775654       10.70193 
1 1 1 -6  -45 48 o 54.523  4.0490  372.765    53.184   377.768    93.227   370.351    64.756   52.935  7.4656  53.888  5.0098  -0.9532814     8.990697 
1 1 1 -6  -45 49 o 36.396  4.8539  170.086    41.798   185.348    76.166   163.509    49.999   36.017  8.7922  35.146  6.0833  0.8713608      10.69156 
1 1 1 -6  -45 50 o 63.015  4.4403  501.858    67.458   438.992    120.153  530.795    81.518   55.423  9.2615  64.297  5.2715  -8.873436      10.65661 
1 1 1 -6  -45 51 o 19.541  7.1408  44.909     44.108   197.693    91.661   -1.1314    50.317   36.213  10.068  15.849  6.9211  20.36401       12.21719 
1 1 1 -6  -45 52 o 24.695  7.2018  84.034     45.813   -45.9119   95.329   123.059    52.241   18.864  8.7445  29.751  7.2932  -10.88680      11.38667 
1 1 1 -6  -45 53 f 20.266  8.1741  37.417     61.949   89.227     122.663  19.678     71.774   27.536  11.353  19.846  8.4617  7.689642       14.15915 
1 1 1 -6  -45 54 o 17.462  7.5297  7.4919     58.033   -134.5627  119.695  51.146     66.353   18.303  8.8487  21.793  8.5678  -3.489708      12.31691 
1 1 1 -6  -45 55 o 27.492  9.0561  108.295    70.029   206.251    135.228  72.399     81.861   35.208  12.551  24.511  9.5509  10.69789       15.77159 
1 1 1 -6  -45 56 o 44.759  5.2467  259.711    55.899   306.506    107.262  242.262    65.497   45.178  10.045  42.468  6.5682  2.710213       12.00174 
1 1 1 -6  -45 57 o 37.098  6.2078  183.784    53.905   160.160    109.947  191.260    61.849   32.160  11.333  37.375  7.0792  -5.214973      13.36203 
1 1 1 -6  -45 58 o 37.813  6.0871  190.258    53.954   86.166     111.582  222.023    61.639   26.892  10.927  40.691  6.4588  -13.79878      12.69296 
1 1 1 -6  -45 59 o 36.218  9.1289  193.427    80.198   227.571    174.719  184.314    90.269   35.876  13.961  34.704  10.106  1.171364       17.23438 
1 1 1 -6  -45 60 o 45.550  7.7513  289.803    82.601   420.269    183.904  256.832    92.451   47.032  14.593  41.562  9.3891  5.470043       17.35251 
1 1 1 -6  -45 61 o 52.129  7.3370  375.404    90.234   375.060    209.696  375.482    99.962   41.906  15.527  51.288  8.3174  -9.381817      17.61403 
1 1 1 -6  -44 1  o 23.787  7.8000  75.122     51.972   42.873     69.813   115.211    77.838   21.668  8.6994  28.669  9.5526  -7.001293      12.92021 
1 1 1 -6  -44 2  o 54.130  5.3798  375.339    69.724   248.200    97.732   507.120    99.500   41.376  9.8724  62.134  6.7061  -20.75803      11.93463 
1 1 1 -6  -44 3  o 19.560  7.6205  36.510     52.108   135.130    72.919   -66.4062   74.490   30.966  9.1016  15.854  7.4714  15.11157       11.77547 
1 1 1 -6  -44 4  o 48.525  5.6954  302.796    65.783   311.806    93.360   293.912    92.705   47.791  8.3552  46.235  8.5794  1.556175       11.97563 
1 1 1 -6  -44 5  o 31.752  7.5229  136.726    57.069   95.599     79.148   181.264    82.365   27.179  9.6112  35.839  9.3670  -8.660374      13.42072 
1 1 1 -6  -44 6  o 30.558  7.5015  126.266    55.210   111.261    77.083   142.072    79.114   28.719  9.5032  31.897  9.5072  -3.178192      13.44238 
1 1 1 -6  -44 7  o 39.195  6.4687  200.675    59.373   128.198    83.373   275.255    84.573   30.572  9.8697  45.293  7.9874  -14.72147      12.69681 
1 1 1 -6  -44 8  o 15.576  6.7048  0.5326     45.853   -26.6258   63.282   30.551     66.531   16.378  7.4142  20.724  8.4309  -4.345713      11.22718 
1 1 1 -6  -44 9  o 46.849  5.7617  280.434    64.116   347.302    93.500   221.080    88.090   51.241  7.7634  40.002  9.2587  11.23838       12.08282 
1 1 1 -6  -44 10 o 57.358  4.9747  413.368    68.548   468.205    103.337  370.276    91.604   59.970  7.2487  53.235  7.2828  6.735725       10.27534 
1 1 1 -6  -44 11 o 28.739  7.2773  110.101    50.799   41.829     79.913   156.396    65.806   23.000  9.2816  34.047  8.0859  -11.04713      12.30974 
1 1 1 -6  -44 12 o 30.562  7.1695  124.103    52.248   71.822     82.013   159.818    67.785   25.583  9.6629  34.402  8.2308  -8.818752      12.69322 
1 1 1 -6  -44 13 o 75.379  4.3806  705.844    79.775   692.803    119.816  716.229    106.921  73.491  6.7961  75.226  5.9052  -1.734917      9.003253 
1 1 1 -6  -44 14 o 41.558  9.1245  235.291    89.488   235.291    89.488   0.0000     0.0000   41.558  9.1245  ?       ?       0.000000       9.124470 
1 1 1 -6  -44 15 o 94.520  6.3054  1133.26    143.782  1133.26    143.782  0.0000     0.0000   94.520  6.3054  ?       ?       0.000000       6.305430 
1 1 1 -6  -44 16 o 115.842 5.3080  1675.41    149.199  1523.32    177.549  2040.87    275.232  109.354 6.7240  124.134 9.2034  -14.77985      11.39804 
1 1 1 -6  -44 17 o 82.580  5.3359  854.615    106.345  899.880    226.387  841.798    120.463  79.902  12.052  81.542  6.1334  -1.640198      13.52261 
1 1 1 -6  -44 18 o 44.487  5.0881  249.315    53.934   226.498    82.676   266.219    71.162   41.060  8.5752  45.424  6.6539  -4.364071      10.85392 
1 1 1 -6  -44 19 o 60.512  4.5376  455.799    66.140   497.483    100.947  424.447    87.548   62.295  6.7883  57.683  6.3609  4.611992       9.302853 
1 1 1 -6  -44 20 o 15.186  6.3534  7.3574     39.225   109.278    66.137   -47.9477   48.719   28.710  8.7234  12.937  6.0798  15.77327       10.63301 
1 1 1 -6  -44 21 o 62.237  4.2859  480.608    64.328   440.585    100.321  508.556    83.832   58.396  7.2351  63.589  5.4870  -5.193420      9.080443 
1 1 1 -6  -44 22 o 18.746  6.5855  40.081     37.106   33.795     67.333   42.822     44.468   21.266  8.5415  19.798  7.1797  1.467571       11.15825 
1 1 1 -6  -44 23 o 17.831  6.6181  32.312     38.131   77.452     68.073   11.674     46.030   25.359  8.9192  16.677  6.9217  8.681408       11.28985 
1 1 1 -6  -44 24 f 70.806  4.1640  620.556    71.224   636.056    109.802  609.297    93.582   70.717  6.4709  69.611  5.5876  1.105858       8.549517 
1 1 1 -6  -44 25 o 16.371  6.6492  15.816     41.298   0.0000     0.0000   15.816     41.298   ?       ?       16.371  6.6492  0.000000       6.649219 
1 1 1 -6  -44 26 o 62.196  7.3077  499.295    108.181  0.0000     0.0000   499.295    108.181  ?       ?       62.196  7.3077  0.000000       7.307677 
1 1 1 -6  -44 27 o 30.055  8.0527  120.558    59.910   -1.2875    139.704  148.014    66.317   26.012  11.441  33.218  8.2622  -7.206446      14.11231 
1 1 1 -6  -44 28 o 23.210  7.7945  66.380     51.819   32.017     93.567   81.582     62.235   23.735  9.8611  25.497  8.5421  -1.762209      13.04648 
1 1 1 -6  -44 29 o 62.013  5.8019  485.704    86.286   485.510    146.448  485.808    106.789  59.484  10.532  61.323  7.3217  -1.839043      12.82696 
1 1 1 -6  -44 30 o 17.574  7.1656  17.979     48.198   230.591    96.068   -53.5398   55.718   40.967  9.7968  13.863  6.5108  27.10393       11.76293 
1 1 1 -6  -44 31 f 48.097  6.2246  295.635    70.939   147.430    120.610  374.023    87.716   33.533  11.864  53.910  6.8611  -20.37693      13.70491 
1 1 1 -6  -44 32 o 54.939  5.9310  382.911    77.810   399.587    130.061  373.616    97.104   53.935  10.314  53.485  7.7046  0.4494362      12.87417 
1 1 1 -6  -44 33 o 75.517  3.9434  704.494    72.005   621.571    103.241  783.036    100.477  70.027  6.1380  79.084  5.2663  -9.056511      8.087601 
1 1 1 -6  -44 34 o 109.119 4.0826  1468.93    108.094  1450.70    154.317  1486.49    151.460  107.296 5.9507  108.742 5.7609  -1.445831      8.282454 
1 1 1 -6  -44 35 o 84.821  4.0427  887.468    83.203   934.689    120.065  843.841    115.405  86.140  5.7779  81.789  5.8539  4.350609       8.225141 
1 1 1 -6  -44 36 o 45.068  4.8658  255.154    52.365   259.718    74.256   250.638    73.855   44.656  7.0901  43.808  7.1981  0.8474770      10.10354 
1 1 1 -6  -44 37 o 73.594  4.1182  670.796    73.244   716.283    104.837  627.422    102.373  75.325  5.7801  70.337  6.0576  4.988235       8.372782 
1 1 1 -6  -44 38 o 33.816  6.0177  147.923    47.566   192.273    68.530   106.693    66.075   38.035  7.6900  28.338  8.7397  9.697044       11.64126 
1 1 1 -6  -44 39 o 20.382  7.1740  48.319     44.048   -15.3687   68.654   92.878     57.426   17.861  7.9299  26.550  8.1409  -8.688873      11.36472 
1 1 1 -6  -44 40 o 57.469  6.3767  423.353    87.419   366.594    111.601  513.479    140.630  51.990  9.1826  61.322  9.7800  -9.332165      13.41529 
1 1 1 -6  -44 41 o 42.643  7.5802  240.888    75.557   230.582    93.195   260.653    129.068  40.772  9.5824  42.174  12.026  -1.401554      15.37649 
1 1 1 -6  -44 42 o 19.524  6.7727  45.089     39.186   39.363     76.228   47.146     45.685   22.408  9.0572  20.322  7.2896  2.086401       11.62628 
1 1 1 -6  -44 43 f 40.058  5.5987  205.656    52.931   108.334    91.580   254.475    64.862   29.001  10.330  44.389  6.1906  -15.38859      12.04253 
1 1 1 -6  -44 44 o 25.010  5.6901  81.985     33.753   90.473     64.641   78.803     39.576   26.276  8.7029  24.388  6.5494  1.888132       10.89197 
1 1 1 -6  -44 45 o 21.565  6.2085  60.898     34.244   23.990     64.532   75.365     40.402   19.899  8.2219  23.841  6.7039  -3.942688      10.60859 
1 1 1 -6  -44 46 o 43.371  4.3283  236.408    44.941   292.456    79.734   210.313    54.406   46.961  7.2294  40.367  5.7143  6.593674       9.215092 
1 1 1 -6  -44 47 o 18.547  6.1849  42.512     32.627   -15.3511   63.269   63.476     38.082   16.920  7.5559  21.977  6.6065  -5.056429      10.03681 
1 1 1 -6  -44 48 o 54.051  4.0605  365.427    52.863   280.009    92.176   407.290    64.530   44.862  8.7823  56.784  4.7265  -11.92183      9.973419 
1 1 1 -6  -44 49 o 29.418  5.7737  113.983    39.741   46.132     76.224   139.312    46.571   22.526  9.0738  32.451  6.1395  -9.924660      10.95569 
1 1 1 -6  -44 50 o 56.613  4.0994  401.910    55.931   396.232    98.544   404.609    67.932   54.076  7.7304  56.353  5.0208  -2.276962      9.217755 
1 1 1 -6  -44 51 o 28.791  6.8933  112.963    47.518   14.245     99.102   142.435    54.148   22.265  9.7182  32.307  7.1012  -10.04174      12.03618 
1 1 1 -6  -44 52 o 51.395  5.0207  338.220    61.812   363.040    116.560  328.510    72.908   49.725  10.007  50.017  6.1362  -0.2916069     11.73874 
1 1 1 -6  -44 53 o 23.308  7.2481  73.506     45.340   126.803    96.567   58.434     51.352   29.637  10.602  21.635  7.7319  8.001631       13.12163 
1 1 1 -6  -44 54 o 13.075  6.0956  -36.4925   47.373   -137.4812  113.909  -15.3727   52.092   17.764  8.5992  15.115  6.7949  2.649246       10.95981 
1 1 1 -6  -44 55 o 45.095  8.0095  283.170    84.429   355.007    154.503  252.586    100.812  45.642  13.201  40.921  10.192  4.720802       16.67754 
1 1 1 -6  -44 56 o 62.603  6.8821  524.230    102.814  570.003    179.417  501.850    125.457  59.012  12.891  59.405  8.9843  -0.3936157     15.71294 
1 1 1 -6  -44 57 o 17.159  6.8270  25.216     42.598   14.930     97.357   27.652     47.373   21.978  9.6116  17.964  7.1825  4.014189       11.99876 
1 1 1 -6  -44 58 o 19.688  7.3487  43.999     47.147   79.345     100.372  33.992     53.405   26.118  10.450  19.225  7.6456  6.893530       12.94860 
1 1 1 -6  -44 59 o 43.006  5.8522  242.924    59.481   203.814    121.150  255.346    68.277   35.613  11.918  43.641  6.6587  -8.028164      13.65226 
1 1 1 -6  -44 60 o 43.592  8.0500  266.172    82.011   307.938    182.889  255.660    91.753   40.619  14.584  41.792  9.2890  -1.172848      17.29065 
1 1 1 -6  -44 61 o 34.319  9.1692  174.555    77.806   357.204    195.858  140.329    84.783   42.539  15.111  30.535  9.9599  12.00414       18.09807 
1 1 1 -6  -44 62 o 26.143  9.1692  97.111     71.920   28.950     194.217  107.943    77.424   27.568  12.672  27.258  9.5162  0.3095360      15.84732 
1 1 1 -6  -43 1  o 52.920  5.3589  357.177    67.863   311.353    95.071   404.783    96.901   47.664  8.5337  55.204  7.4223  -7.539917      11.30997 
1 1 1 -6  -43 2  o 31.968  7.5584  138.560    57.706   213.074    81.988   65.411     81.233   39.191  8.8333  24.673  9.5419  14.51800       13.00288 
1 1 1 -6  -43 3  o 43.532  6.1384  245.283    63.039   192.772    88.524   299.306    89.790   36.933  9.7391  47.141  8.1445  -10.20787      12.69574 
1 1 1 -6  -43 4  o 24.152  7.7686  75.605     51.689   109.740    71.226   37.625     75.130   28.560  9.1122  22.119  8.9737  6.441418       12.78901 
1 1 1 -6  -43 5  o 37.553  6.6839  184.760    58.671   187.124    81.396   182.203    84.647   36.795  9.1543  36.174  9.5160  0.6204910      13.20432 
1 1 1 -6  -43 6  o 49.621  5.4216  312.074    64.215   307.236    92.172   316.636    89.514   47.971  8.2142  48.923  7.8029  -0.9523087     11.32955 
1 1 1 -6  -43 7  o 15.368  6.7125  -5.6929    47.359   4.5030     63.113   -18.8321   71.646   18.420  7.8960  18.047  8.0512  0.3723373      11.27695 
1 1 1 -6  -43 8  o 52.930  5.3212  353.408    67.414   269.959    94.316   440.575    96.394   44.613  9.0229  58.425  6.9351  -13.81254      11.38019 
1 1 1 -6  -43 9  o 39.222  6.1667  198.128    56.751   174.633    81.387   220.363    79.175   35.701  9.3019  40.549  8.3261  -4.848099      12.48394 
1 1 1 -6  -43 10 o 81.143  4.3610  816.534    85.547   774.897    126.232  851.898    116.337  77.878  6.7469  82.173  5.8735  -4.295242      8.945333 
1 1 1 -6  -43 11 o 90.903  4.2794  1020.91    94.390   981.039    140.759  1053.49    127.237  87.777  6.6585  91.514  5.7595  -3.737038      8.803808 
1 1 1 -6  -43 12 o 39.791  5.9662  202.686    55.827   221.464    86.589   189.327    73.033   40.434  9.0513  37.627  8.2286  2.807423       12.23261 
1 1 1 -6  -43 13 o 27.138  9.2052  92.805     72.280   92.805     72.280   0.0000     0.0000   27.138  9.2052  ?       ?       0.000000       9.205178 
1 1 1 -6  -43 14 o 58.489  7.2956  441.744    101.286  441.744    101.286  0.0000     0.0000   58.489  7.2956  ?       ?       0.000000       7.295620 
1 1 1 -6  -43 15 o 68.313  5.5850  586.352    91.765   559.217    108.556  654.283    171.762  66.128  6.8656  69.350  10.539  -3.221382      12.57825 
1 1 1 -6  -43 16 o 20.783  7.3733  49.140     46.617   111.750    63.465   -24.2236   68.700   29.031  8.4793  17.441  7.8247  11.59066       11.53793 
1 1 1 -6  -43 17 o 32.423  6.1271  135.860    46.436   163.593    71.211   115.343    61.250   34.929  8.4860  29.464  8.2436  5.465731       11.83084 
1 1 1 -6  -43 18 o 19.362  6.9128  41.663     41.038   48.721     64.341   36.822     53.284   22.342  8.5297  20.084  7.7389  2.258230       11.51723 
1 1 1 -6  -43 19 o 66.675  4.3038  550.464    69.256   479.866    102.242  610.323    94.144   61.211  7.0103  69.742  5.6108  -8.531281      8.979169 
1 1 1 -6  -43 20 o 83.526  4.1049  859.080    83.194   812.189    122.260  899.514    113.532  80.180  6.3359  84.788  5.5491  -4.608391      8.422367 
1 1 1 -6  -43 21 o 65.419  4.1440  529.073    65.440   451.953    101.769  583.441    85.448   59.314  7.2202  68.358  5.1904  -9.044540      8.892238 
1 1 1 -6  -43 22 o 67.238  4.2263  559.141    68.601   682.122    105.643  469.472    90.207   73.628  5.9646  60.913  6.1893  12.71455       8.595604 
1 1 1 -6  -43 23 o 19.301  6.7333  42.686     38.759   81.907     65.933   21.976     47.911   25.811  8.7916  17.973  7.2100  7.837967       11.36994 
1 1 1 -6  -43 24 o 60.024  5.7512  453.354    82.736   0.0000     0.0000   453.354    82.736   ?       ?       60.024  5.7512  0.000000       5.751174 
1 1 1 -6  -43 25 o 59.034  5.6421  438.052    79.834   0.0000     0.0000   438.052    79.834   ?       ?       59.034  5.6421  0.000000       5.642147 
1 1 1 -6  -43 26 o 38.072  5.3343  183.402    47.925   181.311    75.389   184.819    62.084   36.822  8.5945  37.685  7.0486  -0.8633270     11.11526 
1 1 1 -6  -43 27 o 58.455  4.0445  422.369    57.013   355.128    82.704   483.262    78.703   52.748  6.6068  62.161  5.2676  -9.413013      8.449665 
1 1 1 -6  -43 28 o 60.086  3.9693  445.896    57.543   465.908    82.317   426.771    80.471   60.892  5.6353  58.207  5.7739  2.684818       8.068131 
1 1 1 -6  -43 29 f 79.424  5.5497  789.562    106.279  784.386    171.111  792.813    135.608  77.071  9.3409  78.792  7.1716  -1.721779      11.77642 
1 1 1 -6  -43 30 o 54.435  5.9738  374.848    77.606   419.572    133.019  351.771    95.553   55.613  10.235  51.973  7.8193  3.639950       12.87988 
1 1 1 -6  -43 31 o 8.8127  4.3715  -83.6509   35.558   -102.8441  76.152   -78.2994   40.211   14.980  7.1963  9.9534  4.8816  5.026474       8.695776 
1 1 1 -6  -43 32 f 26.183  7.7439  89.457     52.641   95.417     98.718   87.088     62.227   28.780  10.655  26.176  8.5325  2.604219       13.65050 
1 1 1 -6  -43 33 o 20.369  7.3534  45.669     46.568   -13.2949   86.472   69.756     55.267   20.335  8.9703  23.848  8.0495  -3.512894      12.05242 
1 1 1 -6  -43 34 o 61.503  5.6980  476.358    84.067   522.971    137.442  448.496    106.261  62.665  9.3233  58.829  7.6235  3.835789       12.04330 
1 1 1 -6  -43 35 o 62.928  4.0670  489.801    61.767   530.428    88.491   451.201    86.256   64.924  5.6743  59.700  6.0376  5.224434       8.285497 
1 1 1 -6  -43 36 o 17.773  6.5575  32.514     37.326   -10.3463   52.154   77.521     53.444   15.854  6.9814  24.671  7.8955  -8.816883      10.53940 
1 1 1 -6  -43 37 o 22.986  6.9001  68.020     41.564   19.697     60.589   110.974    57.124   19.351  7.9785  28.903  7.9136  -9.551439      11.23748 
1 1 1 -6  -43 38 o 91.262  4.0263  1026.41    89.157   1049.43    127.627  1004.46    124.603  91.361  5.7872  89.381  5.7763  1.980125       8.176595 
1 1 1 -6  -43 39 o 73.361  4.1509  666.105    73.585   685.328    105.193  647.685    102.972  73.668  5.9353  71.581  5.9835  2.086823       8.427991 
1 1 1 -6  -43 40 o 41.527  6.6119  223.103    64.388   211.309    76.572   251.575    118.972  39.773  8.2067  42.082  11.378  -2.309032      14.02925 
1 1 1 -6  -43 41 o 42.035  6.5710  228.552    64.826   259.893    75.364   139.395    127.110  44.618  7.2069  33.028  12.114  11.58966       14.09582 
1 1 1 -6  -43 42 o 10.692  4.9523  -24.4056   30.486   -88.8263   60.533   -2.5138    35.288   13.098  6.3223  13.520  5.8507  -0.4224300     8.614082 
1 1 1 -6  -43 43 o 39.021  5.6540  194.774    51.973   201.112    90.706   191.677    63.415   38.043  9.7743  38.167  7.1093  -0.1235924     12.08626 
1 1 1 -6  -43 44 o 36.856  5.6538  174.347    48.947   235.178    89.618   148.486    58.432   41.387  9.1658  33.357  7.4118  8.029648       11.78757 
1 1 1 -6  -43 45 o 27.357  5.6323  97.415     36.141   75.196     67.759   106.250    42.726   24.896  8.8833  28.392  6.3598  -3.496784      10.92520 
1 1 1 -6  -43 46 f 41.472  4.4672  216.220    44.243   328.602    79.290   165.409    53.315   50.283  6.6629  35.538  6.4192  14.74547       9.252037 
1 1 1 -6  -43 47 o 18.095  6.1955  39.132     32.745   19.997     64.048   45.905     38.101   19.548  8.1433  19.492  6.6830  0.5643845E-01  10.53448 
1 1 1 -6  -43 48 o 49.608  4.1796  307.880    49.841   307.863    87.863   307.888    60.521   47.889  7.8323  49.233  5.1421  -1.344456      9.369381 
1 1 1 -6  -43 49 f 62.040  3.9609  479.571    59.314   528.126    102.194  454.904    72.839   63.607  6.7234  59.924  5.0568  3.683029       8.412791 
1 1 1 -6  -43 50 o 57.357  4.0289  411.021    55.716   499.037    99.069   370.305    67.381   61.721  6.7240  53.902  5.2173  7.819031       8.510714 
1 1 1 -6  -43 51 o 37.248  4.9334  177.627    43.491   140.083    81.544   192.551    51.413   31.279  9.7193  38.497  5.6742  -7.218018      11.25436 
1 1 1 -6  -43 52 o 17.186  6.8234  24.678     42.472   -85.7099   89.858   56.434     48.196   16.950  8.0522  21.343  7.5049  -4.392633      11.00733 
1 1 1 -6  -43 53 o 51.663  4.8235  339.758    59.766   246.714    111.908  376.887    70.692   40.092  11.116  54.087  5.4614  -13.99463      12.38549 
1 1 1 -6  -43 54 o 38.674  5.7984  196.015    52.735   294.801    104.004  161.828    61.183   44.875  9.8242  34.219  7.5696  10.65586       12.40215 
1 1 1 -6  -43 55 o 40.273  13.334  274.925    151.757  274.925    151.757  0.0000     0.0000   40.273  13.334  ?       ?       0.000000       13.33448 
1 1 1 -6  -43 56 o 39.759  8.4629  223.367    79.138   105.912    146.604  271.666    94.011   29.722  12.346  43.420  9.2088  -13.69847      15.40186 
1 1 1 -6  -43 57 o 17.425  7.5989  1.1315     60.477   33.864     123.699  -9.1498    69.327   24.988  10.883  17.865  7.9484  7.123550       13.47685 
1 1 1 -6  -43 58 o 38.749  6.0458  198.040    54.987   137.008    115.577  215.896    62.515   30.833  11.507  40.172  6.6459  -9.339209      13.28790 
1 1 1 -6  -43 59 o 18.635  7.1150  36.153     44.770   -221.9660  102.074  97.635     49.817   14.623  7.2789  26.589  7.4328  -11.96589      10.40329 
1 1 1 -6  -43 60 o 22.146  8.8395  48.888     71.628   -285.0211  181.283  110.660    77.973   20.305  10.036  27.994  9.5605  -7.689283      13.86076 
1 1 1 -6  -43 61 o 14.384  6.7865  -55.4809   61.788   -46.8460   180.065  -56.6333   65.782   25.324  11.832  14.902  7.0220  10.42193       13.75914 
1 1 1 -6  -43 62 o 17.178  7.6751  -10.4278   65.368   80.034     187.251  -22.9819   69.757   29.476  13.091  17.012  7.7337  12.46444       15.20497 
1 1 1 -6  -42 1  o 36.830  6.6290  178.011    57.062   116.134    77.829   249.932    83.908   29.342  9.5414  42.978  8.3472  -13.63549      12.67732 
1 1 1 -6  -42 2  o 18.276  7.3451  24.073     49.825   17.939     67.736   31.305     73.548   19.918  8.3424  21.549  8.8264  -1.630894      12.14503 
1 1 1 -6  -42 3  o 16.572  6.9188  10.614     46.379   86.216     63.763   -74.3199   67.584   25.938  8.6461  14.738  6.9960  11.19976       11.12202 
1 1 1 -6  -42 4  o 43.361  5.9923  240.819    61.361   268.453    87.983   214.648    85.620   44.776  8.4068  39.643  9.0945  5.133720       12.38484 
1 1 1 -6  -42 5  o 47.246  5.5438  282.867    62.345   306.726    88.591   259.458    87.754   48.265  7.8333  44.000  8.5274  4.264545       11.57920 
1 1 1 -6  -42 6  o 18.661  7.2838  29.718     47.671   59.623     63.780   -8.1334    71.755   23.261  8.5737  18.766  8.2280  4.494593       11.88311 
1 1 1 -6  -42 7  o 34.356  7.0063  154.874    56.426   100.090    77.436   216.895    82.392   28.066  9.5278  40.150  8.7080  -12.08440      12.90768 
1 1 1 -6  -42 8  o 16.085  6.8238  4.5410     46.267   10.255     62.313   -2.4794    69.071   18.831  7.9501  18.812  8.1631  0.1864243E-01  11.39475 
1 1 1 -6  -42 9  o 53.109  5.2180  354.000    66.373   394.898    95.422   315.666    92.383   55.290  7.2905  49.019  8.0464  6.270821       10.85800 
1 1 1 -6  -42 10 o 50.931  4.9321  324.536    60.188   295.281    90.629   347.620    80.505   47.338  8.1866  52.169  6.5009  -4.831272      10.45378 
1 1 1 -6  -42 11 o 98.720  4.2333  1201.54    101.404  1345.55    150.983  1083.19    136.867  103.459 6.0407  92.751  6.1159  10.70778       8.596189 
1 1 1 -6  -42 12 o 20.984  8.5744  26.867     69.201   26.867     69.201   0.0000     0.0000   20.984  8.5744  ?       ?       0.000000       8.574415 
1 1 1 -6  -42 13 o 54.771  7.1843  385.819    93.176   385.819    93.176   0.0000     0.0000   54.771  7.1843  ?       ?       0.000000       7.184344 
1 1 1 -6  -42 14 o 46.243  6.5060  273.433    70.982   243.390    85.473   340.197    127.418  42.835  8.5235  49.712  10.867  -6.877415      13.81064 
1 1 1 -6  -42 15 o 23.890  7.5295  72.262     48.747   58.305     70.083   85.343     67.848   23.786  8.9437  26.302  8.9185  -2.515404      12.63054 
1 1 1 -6  -42 16 o 45.131  4.8745  254.677    52.532   248.512    80.526   259.244    69.311   43.573  7.9077  45.025  6.5352  -1.452633      10.25872 
1 1 1 -6  -42 17 o 50.956  4.6842  323.134    57.267   373.468    86.529   283.904    76.391   54.132  6.7333  47.041  6.8976  7.091282       9.639211 
1 1 1 -6  -42 18 o 70.432  4.2300  612.473    71.954   627.881    107.846  600.112    96.597   70.554  6.3683  69.187  5.8078  1.367119       8.618947 
1 1 1 -6  -42 19 o 112.319 4.1506  1551.15    113.116  1664.48    164.297  1449.01    155.969  115.439 5.8851  107.631 5.9961  7.808922       8.401634 
1 1 1 -6  -42 20 o 78.745  4.1043  764.048    78.149   743.915    115.161  781.233    106.396  76.935  6.2223  79.118  5.5780  -2.183289      8.356486 
1 1 1 -6  -42 21 o 74.227  4.1038  679.018    73.625   739.966    111.460  631.840    98.065   76.822  6.0280  71.065  5.7360  5.756683       8.321001 
1 1 1 -6  -42 22 o 34.442  5.4804  150.565    44.266   137.534    72.497   158.312    55.896   32.190  8.9552  34.959  6.8345  -2.769058      11.26523 
1 1 1 -6  -42 23 o 43.835  6.3241  244.578    65.318   0.0000     0.0000   244.578    65.318   ?       ?       43.835  6.3241  0.000000       6.324109 
1 1 1 -6  -42 24 o 76.668  5.4384  732.381    100.513  0.0000     0.0000   732.381    100.513  ?       ?       76.668  5.4384  0.000000       5.438407 
1 1 1 -6  -42 25 o 47.653  4.6305  282.441    52.864   353.458    82.247   232.449    69.007   52.761  6.5667  42.522  6.9268  10.23923       9.544761 
1 1 1 -6  -42 26 o 35.422  5.9905  160.284    49.651   164.851    102.177  158.873    56.809   35.106  10.875  34.997  6.9351  0.1098709      12.89803 
1 1 1 -6  -42 27 o 71.392  3.8557  627.089    66.543   601.338    95.345   651.542    92.915   69.328  5.7190  72.321  5.3325  -2.993362      7.819341 
1 1 1 -6  -42 28 o 72.580  3.8587  648.161    67.712   593.937    96.505   700.739    95.029   68.849  5.8316  75.037  5.2525  -6.188278      7.848330 
1 1 1 -6  -42 29 o 102.926 3.9185  1300.54    97.862   1280.62    139.264  1319.98    137.547  101.329 5.6872  102.957 5.5261  -1.627899      7.929808 
1 1 1 -6  -42 30 o 64.806  3.9316  517.537    61.530   469.559    88.109   563.209    85.965   61.077  6.0238  67.197  5.3158  -6.119225      8.033908 
1 1 1 -6  -42 31 o 53.444  5.9111  360.108    75.369   451.629    127.010  310.361    93.639   58.478  9.2596  48.723  8.2127  9.755245       12.37696 
1 1 1 -6  -42 32 o 23.007  7.6131  64.933     49.470   16.149     93.015   84.175     58.417   22.870  9.6874  25.774  8.2553  -2.903795      12.72777 
1 1 1 -6  -42 33 o 17.498  6.9524  22.179     44.121   19.688     81.378   23.216     52.508   21.854  9.1477  18.718  7.5342  3.135143       11.85095 
1 1 1 -6  -42 34 o 36.987  6.9307  177.622    59.915   260.019    102.457  134.802    73.861   43.782  9.8794  31.790  9.1080  11.99159       13.43721 
1 1 1 -6  -42 35 o 35.130  7.1128  161.207    58.550   200.066    100.990  141.534    71.859   38.177  10.551  32.524  8.8636  5.653446       13.77981 
1 1 1 -6  -42 36 o 14.195  6.2131  -7.0920    40.759   -80.5434   77.151   21.346     48.006   15.972  7.5501  17.925  7.2078  -1.952978      10.43822 
1 1 1 -6  -42 37 o 87.729  3.9313  946.469    83.684   911.745    120.005  979.338    116.757  85.236  5.8376  88.533  5.4618  -3.297028      7.994339 
1 1 1 -6  -42 38 f 37.714  5.4597  180.502    48.508   110.067    70.063   245.349    67.227   28.974  9.0101  43.717  6.5384  -14.74276      11.13250 
1 1 1 -6  -42 39 o 46.868  4.7404  274.524    53.168   316.176    76.437   235.482    74.003   49.738  6.4881  42.464  7.4543  7.274578       9.882400 
1 1 1 -6  -42 40 o 20.660  6.9647  51.354     41.375   48.919     60.921   53.439     56.369   22.033  8.3267  22.096  8.0728  -0.6279182E-01 11.59763 
1 1 1 -6  -42 41 o 25.989  5.4321  87.175     33.151   21.250     62.139   113.404    39.195   19.676  8.0923  29.674  5.6501  -9.997759      9.869585 
1 1 1 -6  -42 42 o 24.261  5.9304  76.677     34.617   50.099     64.794   87.293     40.951   22.460  8.5633  25.806  6.5337  -3.345608      10.77123 
1 1 1 -6  -42 43 o 43.871  5.2210  242.954    54.486   187.092    95.698   269.748    66.277   36.737  10.313  45.950  6.0948  -9.212692      11.97954 
1 1 1 -6  -42 44 o 30.621  6.4318  122.660    46.268   159.483    83.637   106.422    55.541   34.089  9.6667  28.268  7.8291  5.820757       12.43943 
1 1 1 -6  -42 45 o 11.958  5.3933  -15.5055   33.134   -22.0361   66.619   -13.3590   38.193   17.194  7.7103  13.152  5.8720  4.042262       9.691668 
1 1 1 -6  -42 46 o 11.449  5.1283  -11.7334   29.383   -34.7366   58.226   -3.8738    34.035   15.203  6.9698  13.136  5.7151  2.066974       9.013335 
1 1 1 -6  -42 47 o 33.524  5.0046  143.209    39.462   213.136    73.675   115.078    46.730   39.875  7.8942  29.482  6.6863  10.39323       10.34528 
1 1 1 -6  -42 48 o 82.672  3.8226  844.525    76.681   828.058    126.258  854.149    96.520   80.248  6.5412  82.563  4.8392  -2.315178      8.136628 
1 1 1 -6  -42 49 o 29.066  5.7424  110.307    39.062   62.445     73.818   128.922    46.036   23.970  9.1399  31.294  6.2810  -7.324860      11.09006 
1 1 1 -6  -42 50 o 76.687  3.8771  730.298    71.908   762.235    121.433  713.051    89.237   76.725  6.5867  75.251  4.9142  1.473335       8.217937 
1 1 1 -6  -42 51 o 40.754  4.7616  210.779    46.198   257.612    84.716   190.957    55.114   43.341  8.3586  38.215  6.1527  5.126343       10.37888 
1 1 1 -6  -42 52 o 35.985  5.7240  168.513    48.304   157.719    82.965   174.048    59.413   33.153  9.6982  35.997  7.0544  -2.843834      11.99246 
1 1 1 -6  -42 53 o 17.296  6.9344  23.292     44.291   176.104    91.049   -24.0775   50.693   34.661  10.165  14.454  6.5794  20.20713       12.10886 
1 1 1 -6  -42 54 o 30.163  8.1023  127.040    60.559   196.997    95.442   79.894     78.351   36.419  10.326  25.376  9.4732  11.04269       14.01311 
1 1 1 -6  -42 55 o 62.772  5.5232  506.846    83.268   403.598    125.229  588.672    111.484  52.572  10.185  66.574  7.0066  -14.00281      12.36242 
1 1 1 -6  -42 56 o 26.254  8.8416  94.062     66.678   -97.3982   131.135  160.823    77.435   20.657  9.7881  33.343  9.2478  -12.68562      13.46584 
1 1 1 -6  -42 57 o 15.964  7.1680  -16.1875   57.772   -37.1906   122.464  -10.1752   65.522   21.951  10.080  17.379  7.7299  4.571661       12.70245 
1 1 1 -6  -42 58 o 32.357  6.8821  141.899    52.370   111.121    112.192  150.474    59.217   29.061  11.221  33.028  7.5534  -3.966722      13.52627 
1 1 1 -6  -42 59 o 42.377  5.8128  234.206    58.195   364.641    121.034  194.984    66.370   49.758  10.361  37.752  7.5098  12.00669       12.79681 
1 1 1 -6  -42 60 o 16.622  6.7858  18.450     43.289   -129.9939  103.661  49.805     47.642   17.044  8.2387  20.481  7.4310  -3.437555      11.09483 
1 1 1 -6  -42 61 f 23.521  8.9542  65.032     70.777   70.164     190.623  64.212     76.226   29.937  13.256  23.783  9.2304  6.154110       16.15330 
1 1 1 -6  -42 62 o 21.405  8.6632  41.848     69.841   82.247     193.546  35.800     74.886   30.211  13.369  21.371  8.8459  8.839180       16.03021 
1 1 1 -6  -42 63 o 37.331  9.2829  205.789    83.731   148.889    180.930  221.296    94.454   32.140  13.557  38.168  10.058  -6.028263      16.88012 
1 1 1 -6  -41 1  o 47.170  5.5198  282.087    61.981   314.696    86.730   248.049    88.610   49.004  7.5355  42.828  8.8205  6.176003       11.60106 
1 1 1 -6  -41 2  o 40.231  6.3517  208.736    59.946   186.559    84.769   230.922    84.784   36.892  9.4330  41.398  8.7162  -4.505154      12.84343 
1 1 1 -6  -41 3  o 35.894  6.7833  168.036    56.913   186.157    79.144   148.633    81.899   37.075  8.9087  33.068  9.6249  4.007236       13.11503 
1 1 1 -6  -41 4  o 15.166  6.5560  -2.4014    44.216   48.374     58.858   -68.1789   66.991   21.775  8.1945  14.981  7.0675  6.793897       10.82126 
1 1 1 -6  -41 5  o 66.996  4.7020  558.176    75.952   688.587    108.383  432.332    106.468  73.856  6.1027  57.665  7.8102  16.19036       9.911668 
1 1 1 -6  -41 6  o 27.257  7.3861  97.735     50.066   35.206     69.432   165.465    72.262   21.668  8.6841  35.136  8.5558  -13.46759      12.19080 
1 1 1 -6  -41 7  o 40.998  5.8999  214.028    57.001   204.873    80.785   223.104    80.438   39.117  8.7325  40.992  8.3703  -1.875469      12.09623 
1 1 1 -6  -41 8  f 27.523  7.3955  99.550     50.444   4.0415     68.715   211.183    74.289   19.265  8.2482  40.038  7.9275  -20.77308      11.44015 
1 1 1 -6  -41 9  o 28.739  7.2932  108.608    50.942   168.672    73.796   53.932     70.410   35.516  8.6449  23.413  8.9267  12.10296       12.42659 
1 1 1 -6  -41 10 o 56.546  4.6917  397.517    63.791   336.389    97.540   443.203    84.325   50.729  8.2044  59.314  5.9389  -8.585239      10.12831 
1 1 1 -6  -41 11 o 21.646  8.6991  33.390     69.884   33.390     69.884   0.0000     0.0000   21.646  8.6991  ?       ?       0.000000       8.699094 
1 1 1 -6  -41 12 o 41.496  8.7511  228.595    85.337   228.595    85.337   0.0000     0.0000   41.496  8.7511  ?       ?       0.000000       8.751114 
1 1 1 -6  -41 13 o 73.343  4.3207  664.073    76.551   589.245    113.123  727.287    103.974  68.140  6.9388  76.307  5.6558  -8.167168      8.951863 
1 1 1 -6  -41 14 o 66.874  4.5372  553.259    73.186   572.495    107.027  536.364    100.302  67.308  6.6399  65.215  6.4220  2.093010       9.237448 
1 1 1 -6  -41 15 o 26.280  6.6766  89.741     42.659   6.3698     68.310   143.040    54.618   19.469  8.2767  33.173  7.0053  -13.70453      10.84334 
1 1 1 -6  -41 16 o 83.045  4.1055  846.636    82.727   919.192    121.797  784.495    112.718  85.814  5.8850  79.241  5.9048  6.573029       8.336649 
1 1 1 -6  -41 17 o 115.555 4.1411  1639.17    116.110  1701.14    168.968  1583.73    159.821  116.839 5.9801  112.784 5.8603  4.054832       8.372889 
1 1 1 -6  -41 18 o 57.302  4.3850  405.803    60.506   450.635    90.573   369.673    81.310   59.833  6.3351  54.141  6.3077  5.691372       8.939831 
1 1 1 -6  -41 19 o 58.118  4.4205  417.406    61.870   413.406    93.783   420.488    82.326   57.100  6.9096  57.914  5.9427  -0.8137779     9.113625 
1 1 1 -6  -41 20 o 97.030  3.9971  1154.18    94.107   1099.04    137.960  1202.15    128.697  93.862  6.0905  98.464  5.4074  -4.602654      8.144598 
1 1 1 -6  -41 21 f 82.227  3.9465  828.565    78.740   838.505    118.077  820.605    105.663  81.989  5.9765  81.314  5.3859  0.6750183      8.045274 
1 1 1 -6  -41 22 o 49.865  5.8135  312.091    69.019   0.0000     0.0000   312.091    69.019   ?       ?       49.865  5.8135  0.000000       5.813482 
1 1 1 -6  -41 23 o 18.491  7.1782  28.286     46.106   0.0000     0.0000   28.286     46.106   ?       ?       18.491  7.1782  0.000000       7.178178 
1 1 1 -6  -41 24 o 25.430  6.7132  83.599     42.031   160.586    72.578   44.751     51.557   34.898  8.6216  20.899  7.7076  13.99903       11.56453 
1 1 1 -6  -41 25 o 50.724  4.1449  317.618    50.569   304.373    72.312   330.295    70.744   49.126  6.2048  51.327  5.7811  -2.201153      8.480596 
1 1 1 -6  -41 26 o 75.302  3.8079  696.105    69.350   711.338    99.439   681.679    96.769   75.664  5.4528  74.072  5.4218  1.592178       7.689531 
1 1 1 -6  -41 27 o 97.663  3.8428  1168.31    91.062   1065.00    129.969  1267.93    127.626  92.506  5.8200  101.210 5.2147  -8.703514      7.814462 
1 1 1 -6  -41 28 o 56.610  3.9656  394.686    54.127   345.351    77.198   442.392    75.913   52.357  6.1969  59.613  5.3036  -7.255108      8.156577 
1 1 1 -6  -41 29 f 55.817  3.9931  383.902    53.723   345.332    76.557   421.322    75.407   52.364  6.1421  58.127  5.4086  -5.763233      8.184047 
1 1 1 -6  -41 30 o 109.196 3.9192  1461.78    103.840  1411.34    147.855  1510.88    145.869  106.520 5.7418  110.484 5.4412  -3.964111      7.910466 
1 1 1 -6  -41 31 o 77.604  3.8153  738.047    71.841   681.735    101.868  793.768    101.332  73.916  5.7245  79.959  5.2521  -6.043747      7.768840 
1 1 1 -6  -41 32 o 23.291  6.1355  70.002     35.157   101.148    50.685   41.123     48.806   27.842  7.3826  20.175  7.4876  7.666187       10.51504 
1 1 1 -6  -41 33 o 59.552  5.6267  443.820    80.342   506.802    130.115  405.010    102.139  62.366  8.8463  56.123  7.7037  6.243256       11.73051 
1 1 1 -6  -41 34 o 73.276  5.4684  669.413    96.526   606.748    152.940  710.900    124.442  67.919  9.5437  74.932  6.9227  -7.013046      11.79009 
1 1 1 -6  -41 35 o 46.468  6.1114  273.645    67.235   164.135    111.741  335.793    84.178   35.160  11.433  51.256  6.9474  -16.09604      13.37797 
1 1 1 -6  -41 36 o 29.393  7.5522  113.551    54.150   179.880    94.384   81.005     66.114   36.445  10.246  25.804  8.8035  10.64106       13.50860 
1 1 1 -6  -41 37 o 51.235  6.0282  331.841    73.507   379.566    123.663  305.765    91.408   53.170  9.9512  48.402  8.0672  4.767658       12.81039 
1 1 1 -6  -41 38 o 29.688  5.9001  113.578    41.004   79.143     60.831   142.255    55.512   25.292  8.4454  32.971  7.1451  -7.679718      11.06242 
1 1 1 -6  -41 39 o 28.465  6.6071  105.731    44.754   144.877    64.060   68.406     62.552   33.043  8.0614  24.211  8.5462  8.832001       11.74833 
1 1 1 -6  -41 40 o 34.482  4.6335  149.364    37.787   145.367    66.825   151.243    45.814   33.029  8.3374  34.420  5.6841  -1.390533      10.09067 
1 1 1 -6  -41 41 o 23.520  5.9649  71.798     34.091   24.874     62.949   91.274     40.553   20.121  8.1949  26.454  6.3896  -6.333035      10.39155 
1 1 1 -6  -41 42 o 57.003  3.8016  400.978    52.279   377.535    88.006   413.761    64.988   54.298  6.8311  57.660  4.6856  -3.362480      8.283664 
1 1 1 -6  -41 43 o 13.415  5.5373  7.3959     29.227   -58.9422   55.857   32.406     34.297   13.648  6.4431  17.422  6.3073  -3.774390      9.016456 
1 1 1 -6  -41 44 o 29.174  6.6174  111.484    45.767   170.424    83.222   85.931     54.798   35.370  9.4970  25.758  7.9615  9.611673       12.39261 
1 1 1 -6  -41 45 o 45.284  5.4601  259.388    58.784   310.929    106.691  236.921    70.440   47.871  9.5203  42.681  7.0477  5.190250       11.84511 
1 1 1 -6  -41 46 o 41.545  5.6418  219.750    55.402   219.638    98.869   219.802    66.891   39.747  10.200  41.070  6.9609  -1.323208      12.34925 
1 1 1 -6  -41 47 o 49.942  4.1507  310.217    49.843   410.500    87.367   261.830    60.688   56.583  6.4803  45.375  5.6333  11.20817       8.586555 
1 1 1 -6  -41 48 o 41.880  4.5041  220.031    45.050   236.434    81.773   212.882    53.981   41.914  8.3341  40.828  5.5963  1.085285       10.03869 
1 1 1 -6  -41 49 o 40.777  4.6164  209.331    44.870   211.304    82.164   208.492    53.563   39.261  8.8380  40.349  5.6239  -1.087849      10.47560 
1 1 1 -6  -41 50 o 26.762  6.1559  94.432     39.141   139.921    73.790   76.623     46.172   31.810  9.1005  24.123  7.2796  7.687416       11.65386 
1 1 1 -6  -41 51 o 54.596  4.2003  372.267    55.215   256.212    100.242  422.813    66.155   42.519  9.9010  57.983  4.7437  -15.46357      10.97875 
1 1 1 -6  -41 52 o 33.266  5.3566  142.797    41.769   231.120    82.050   111.902    48.527   40.972  8.5306  28.840  7.0043  12.13177       11.03770 
1 1 1 -6  -41 53 o 27.735  7.1059  104.049    48.036   168.309    96.157   82.680     55.450   34.035  10.551  24.947  8.0485  9.088001       13.27010 
1 1 1 -6  -41 54 o 13.164  6.2665  -62.0045   54.971   -86.4523   87.205   -45.8839   70.813   16.679  7.9261  16.258  7.5364  0.4214077      10.93714 
1 1 1 -6  -41 55 o 35.726  6.4605  169.515    53.942   73.332     105.193  203.830    62.832   26.409  10.652  39.044  6.8838  -12.63517      12.68260 
1 1 1 -6  -41 56 o 45.789  6.9535  279.608    74.826   231.450    115.375  314.568    98.304   38.808  11.461  47.358  8.8811  -8.549980      14.49901 
1 1 1 -6  -41 57 o 38.652  8.2462  207.912    74.980   182.055    146.262  217.129    87.327   34.565  12.935  38.842  9.3733  -4.277012      15.97437 
1 1 1 -6  -41 58 o 25.212  9.0192  82.089     69.892   244.910    145.347  33.115     79.713   38.879  13.054  21.814  9.0858  17.06442       15.90483 
1 1 1 -6  -41 59 o 33.671  6.5954  151.664    51.956   31.808     114.617  182.662    58.289   24.549  10.584  36.958  6.7487  -12.40854      12.55247 
1 1 1 -6  -41 60 o 25.853  7.5143  91.229     49.950   172.617    112.189  71.106     55.785   33.912  11.468  23.470  8.0842  10.44214       14.03138 
1 1 1 -6  -41 61 o 29.820  7.2497  121.788    51.946   184.568    115.589  105.900    58.148   34.761  11.642  27.618  8.1306  7.142548       14.19968 
1 1 1 -6  -41 62 o 34.526  9.6105  174.581    83.471   106.770    192.030  190.378    92.685   31.490  13.638  35.731  10.191  -4.240480      17.02495 
1 1 1 -6  -41 63 o 24.678  9.1631  77.326     73.112   279.679    189.374  41.882     79.257   39.286  14.715  22.189  9.1341  17.09662       17.31982 
1 1 1 -6  -40 1  o 62.508  4.8734  487.228    73.330   508.587    105.160  467.011    102.309  62.992  6.9984  60.273  7.1341  2.719578       9.993641 
1 1 1 -6  -40 2  o 21.818  7.6073  55.688     49.469   70.850     70.780   41.209     69.168   24.958  9.0571  22.142  8.7341  2.816101       12.58237 
1 1 1 -6  -40 3  o 56.210  4.9715  394.413    67.106   394.880    94.951   393.947    94.853   55.398  7.2367  55.331  7.2386  0.6742859E-01  10.23562 
1 1 1 -6  -40 4  o 64.587  4.6456  517.884    72.318   566.442    103.966  472.366    100.659  66.862  6.4901  60.818  6.9458  6.044361       9.506093 
1 1 1 -6  -40 5  o 73.259  4.4783  664.321    79.221   670.483    114.964  658.750    109.321  72.775  6.5818  72.256  6.2984  0.5181656      9.109851 
1 1 1 -6  -40 6  o 47.804  5.3162  286.844    60.620   247.799    85.756   325.842    85.703   43.309  8.4640  50.322  7.2263  -7.013130      11.12923 
1 1 1 -6  -40 7  o 62.283  4.6486  481.180    69.745   470.241    99.424   491.777    97.863   60.795  6.8600  62.302  6.5729  -1.507027      9.500647 
1 1 1 -6  -40 8  o 42.641  5.7021  229.757    57.518   229.677    81.001   229.839    81.690   41.783  8.2824  41.773  8.3514  0.9502411E-02  11.76191 
1 1 1 -6  -40 9  o 73.807  4.3641  672.468    77.808   665.882    113.894  678.231    106.547  72.679  6.5281  73.559  6.0223  -0.8797989     8.881676 
1 1 1 -6  -40 10 o 74.406  6.4973  696.752    116.125  696.752    116.125  0.0000     0.0000   74.406  6.4973  ?       ?       0.000000       6.497279 
1 1 1 -6  -40 11 o 71.006  6.4325  633.884    109.623  633.884    109.623  0.0000     0.0000   71.006  6.4325  ?       ?       0.000000       6.432536 
1 1 1 -6  -40 12 o 93.221  4.1534  1066.46    93.946   1031.04    138.482  1096.67    127.870  90.776  6.3268  93.924  5.6369  -3.148315      8.473699 
1 1 1 -6  -40 13 o 11.860  5.4119  -21.7711   34.571   -35.8269   64.000   -15.9803   41.079   16.245  7.3938  13.613  6.0830  2.632092       9.574486 
1 1 1 -6  -40 14 o 119.487 4.1760  1751.02    121.073  1805.15    176.972  1703.40    165.999  120.453 6.0747  117.249 5.8349  3.204407       8.423051 
1 1 1 -6  -40 15 o 50.148  4.5449  311.361    54.701   284.136    83.808   331.568    72.202   47.042  7.6016  51.424  5.8929  -4.382477      9.618237 
1 1 1 -6  -40 16 o 32.162  6.2557  132.526    47.060   164.408    74.887   111.718    60.499   35.345  8.7730  29.326  8.1885  6.019138       12.00071 
1 1 1 -6  -40 17 o 72.485  4.1260  645.700    72.268   762.163    108.305  552.230    97.027   78.323  5.7389  66.503  6.0802  11.81964       8.360873 
1 1 1 -6  -40 18 o 59.234  4.2935  432.285    61.291   473.384    93.263   401.040    81.316   61.468  6.3444  56.622  6.0106  4.845402       8.739477 
1 1 1 -6  -40 19 o 43.010  5.0455  230.554    51.654   268.138    80.230   203.945    67.506   45.770  7.4829  39.856  7.2475  5.913799       10.41729 
1 1 1 -6  -40 20 o 118.537 4.0617  1720.01    116.821  1806.72    170.344  1643.03    160.515  120.928 5.8055  115.345 5.7353  5.583130       8.160681 
1 1 1 -6  -40 21 o 50.837  5.7042  322.809    69.149   0.0000     0.0000   322.809    69.149   ?       ?       50.837  5.7042  0.000000       5.704247 
1 1 1 -6  -40 22 o 71.095  5.3167  625.789    91.052   0.0000     0.0000   625.789    91.052   ?       ?       71.095  5.3167  0.000000       5.316732 
1 1 1 -6  -40 23 o 39.428  4.9470  193.926    46.285   119.509    72.469   245.195    60.151   30.471  9.1031  44.219  5.7418  -13.74814      10.76265 
1 1 1 -6  -40 24 o 75.789  3.7877  702.209    69.654   712.240    100.300  692.866    96.805   75.824  5.4888  74.814  5.3685  1.010193       7.677748 
1 1 1 -6  -40 25 o 51.000  4.1233  320.453    50.588   261.385    72.233   377.314    70.871   45.403  6.7631  55.093  5.3698  -9.690098      8.635636 
1 1 1 -6  -40 26 o 116.942 3.9650  1673.27    112.507  1759.34    160.360  1589.84    157.886  119.434 5.5335  113.320 5.7611  6.114258       7.988142 
1 1 1 -6  -40 27 o 43.253  4.3086  231.488    44.617   223.465    63.716   239.208    62.498   41.985  6.4617  43.570  6.0772  -1.585152      8.870522 
1 1 1 -6  -40 28 o 51.012  4.1197  320.711    50.556   328.894    71.953   312.731    71.050   51.254  5.8929  49.939  5.9827  1.314999       8.397593 
1 1 1 -6  -40 29 o 72.599  3.8030  646.434    66.758   673.532    95.432   620.466    93.422   73.718  5.3723  70.706  5.4884  3.011803       7.680055 
1 1 1 -6  -40 30 o 32.193  5.1571  130.726    38.924   130.504    55.287   130.945    54.810   31.698  7.3339  31.763  7.2690  -0.6451416E-01 10.32593 
1 1 1 -6  -40 31 o 48.147  4.2145  286.340    48.740   330.301    69.180   243.013    68.680   51.399  5.6397  43.711  6.6882  7.687756       8.748569 
1 1 1 -6  -40 32 o 115.628 3.9493  1637.69    110.803  1549.56    157.653  1723.71    155.761  111.701 5.8370  118.123 5.4345  -6.421623      7.975259 
1 1 1 -6  -40 33 o 12.595  5.4356  -2.6288    30.291   -58.5642   44.941   43.940     41.006   11.782  5.6245  19.775  6.9243  -7.992820      8.920783 
1 1 1 -6  -40 34 o 87.252  3.8288  932.525    81.059   912.135    116.082  951.928    113.241  85.651  5.6167  87.603  5.3532  -1.951462      7.759095 
1 1 1 -6  -40 35 o 61.539  5.5752  472.733    82.345   338.252    132.071  558.258    105.323  49.872  11.189  66.554  6.6094  -16.68254      12.99555 
1 1 1 -6  -40 36 o 60.405  5.6628  456.315    82.029   411.389    134.142  483.149    103.671  55.461  10.349  61.679  7.0541  -6.217842      12.52425 
1 1 1 -6  -40 37 o 60.158  5.7071  453.146    82.309   414.917    135.155  475.683    103.772  55.622  10.397  61.133  7.1298  -5.510517      12.60642 
1 1 1 -6  -40 38 o 27.142  7.6183  95.988     52.224   51.372     91.962   117.225    63.447   25.190  10.028  29.858  8.4028  -4.668396      13.08322 
1 1 1 -6  -40 39 o 57.412  5.7239  413.683    78.673   420.505    127.663  409.505    99.897   56.235  9.7069  56.473  7.4740  -0.2374840     12.25093 
1 1 1 -6  -40 40 o 47.454  3.9317  278.351    44.863   330.465    75.516   249.926    55.772   51.076  6.2219  44.619  5.2521  6.457634       8.142267 
1 1 1 -6  -40 41 o 66.101  3.6767  537.459    58.737   567.172    96.559   520.007    74.003   67.169  5.9875  64.721  4.7454  2.447517       7.639949 
1 1 1 -6  -40 42 o 58.092  3.7969  415.955    53.224   398.562    89.402   425.504    66.243   55.934  6.7219  58.514  4.7054  -2.580372      8.205150 
1 1 1 -6  -40 43 o 48.567  4.0846  292.135    47.688   348.805    81.392   262.511    58.846   52.321  6.5551  45.661  5.4170  6.659832       8.503716 
1 1 1 -6  -40 44 o 12.617  5.4352  -1.7533    30.180   -39.6962   58.449   12.040     35.241   15.069  6.9360  15.042  6.1295  0.2787590E-01  9.256263 
1 1 1 -6  -40 45 o 44.250  5.4857  247.337    57.636   139.533    101.061  299.302    70.165   32.567  10.885  48.528  6.0932  -15.96157      12.47483 
1 1 1 -6  -40 46 o 76.033  4.8959  719.792    89.843   886.455    149.318  625.214    112.483  83.049  7.4905  70.057  6.6988  12.99259       10.04900 
1 1 1 -6  -40 47 o 75.016  4.9515  701.891    89.621   820.162    150.114  636.387    111.715  79.522  7.8837  70.673  6.5907  8.848595       10.27576 
1 1 1 -6  -40 48 o 72.148  3.8431  642.860    67.035   636.872    112.498  646.156    83.473   70.593  6.6460  71.977  4.8072  -1.384140      8.202353 
1 1 1 -6  -40 49 o 41.907  4.5787  220.350    45.800   170.588    85.326   240.492    54.284   35.120  9.6948  43.589  5.2373  -8.468510      11.01905 
1 1 1 -6  -40 50 o 39.441  4.7393  196.190    44.447   213.994    82.865   188.999    52.664   39.569  8.8522  38.330  5.8478  1.239605       10.60933 
1 1 1 -6  -40 51 o 44.629  4.5838  250.283    48.932   170.475    88.515   285.404    58.720   34.830  9.9681  47.468  5.1824  -12.63796      11.23481 
1 1 1 -6  -40 52 o 11.373  5.1710  -17.0988   31.196   -40.8466   67.381   -10.6199   35.195   16.164  7.4425  12.736  5.6650  3.428404       9.353247 
1 1 1 -6  -40 53 o 63.366  4.0525  500.093    61.982   579.757    108.815  461.832    75.411   66.736  6.8156  60.381  5.1978  6.354462       8.571484 
1 1 1 -6  -40 54 o 15.810  6.6257  9.6026     42.766   15.930     91.386   7.8284     48.392   22.010  9.4701  16.487  6.9856  5.523825       11.76781 
1 1 1 -6  -40 55 o 35.412  6.3445  165.511    52.512   210.666    104.414  150.224    60.755   37.700  10.837  33.130  7.7036  4.570168       13.29641 
1 1 1 -6  -40 56 o 46.718  5.4636  280.486    60.764   300.065    118.728  273.538    70.729   44.864  10.993  45.570  6.5878  -0.7062683     12.81561 
1 1 1 -6  -40 57 o 19.394  8.0184  24.033     61.432   -47.3331   125.563  46.492     70.438   22.033  10.150  22.098  8.7830  -0.6447029E-01 13.42287 
1 1 1 -6  -40 58 o 26.012  8.9292  89.953     68.027   75.233     135.417  94.922     78.675   28.189  11.800  26.848  9.5729  1.341080       15.19485 
1 1 1 -6  -40 59 o 17.803  7.6114  8.2309     58.364   -118.5913  124.637  43.852     66.054   19.612  9.3635  21.508  8.5190  -1.895742      12.65892 
1 1 1 -6  -40 60 o 20.679  7.5549  49.501     49.368   168.955    111.532  20.394     55.055   33.793  11.435  18.372  7.5930  15.42092       13.72622 
1 1 1 -6  -40 61 o 47.887  5.2739  293.705    60.263   121.981    122.518  348.511    69.215   30.417  11.731  52.056  5.5660  -21.63935      12.98441 
1 1 1 -6  -40 62 f 47.033  8.2700  304.962    90.933   499.304    192.043  248.797    103.240  54.377  14.347  41.001  10.370  13.37548       17.70271 
1 1 1 -6  -40 63 o 43.140  9.0563  265.263    91.777   170.626    210.394  287.503    101.992  34.572  14.603  44.467  9.7239  -9.895123      17.54392 
1 1 1 -6  -39 1  o 27.147  7.4525  96.551     50.582   153.312    70.727   37.124     72.369   33.890  8.5898  22.183  8.8745  11.70721       12.35079 
1 1 1 -6  -39 2  o 43.881  5.6172  243.134    58.436   328.909    81.841   153.925    83.464   50.720  6.8232  33.860  9.6758  16.86019       11.83965 
1 1 1 -6  -39 3  o 76.902  4.4515  731.032    82.708   737.743    120.135  724.984    114.037  76.448  6.5394  75.909  6.2469  0.5396576      9.043591 
1 1 1 -6  -39 4  o 37.272  6.2128  177.751    54.209   189.559    76.329   165.735    77.002   37.805  8.5246  35.226  8.9815  2.578335       12.38284 
1 1 1 -6  -39 5  o 36.781  6.3903  173.524    54.961   124.979    76.669   224.844    78.830   30.880  9.3945  41.409  8.1359  -10.52957      12.42772 
1 1 1 -6  -39 6  o 73.522  4.4072  667.204    78.259   563.329    111.920  766.583    109.471  66.642  7.0273  78.351  5.7994  -11.70893      9.111360 
1 1 1 -6  -39 7  o 29.842  7.0057  115.952    49.859   106.128    68.769   126.838    72.394   28.735  8.9250  31.089  9.0492  -2.354008      12.70999 
1 1 1 -6  -39 8  o 29.479  6.9807  112.989    49.160   108.977    67.038   117.657    72.307   29.039  8.7735  30.115  9.1147  -1.075485      12.65115 
1 1 1 -6  -39 9  o 99.273  6.1433  1228.54    147.251  1228.54    147.251  0.0000     0.0000   99.273  6.1433  ?       ?       0.000000       6.143305 
1 1 1 -6  -39 10 o 111.890 6.1725  1558.35    166.928  1558.35    166.928  0.0000     0.0000   111.890 6.1725  ?       ?       0.000000       6.172456 
1 1 1 -6  -39 11 o 106.375 4.1377  1386.49    106.798  1330.93    156.476  1434.94    146.125  103.388 6.2672  107.634 5.6146  -4.246117      8.414330 
1 1 1 -6  -39 12 o 36.685  5.7003  169.930    49.093   177.398    79.660   165.357    62.338   36.716  9.0093  35.753  7.4286  0.9632683      11.67696 
1 1 1 -6  -39 13 o 47.125  5.1286  276.310    57.696   266.411    100.522  281.173    70.457   45.017  9.5013  47.251  6.3026  -2.233448      11.40160 
1 1 1 -6  -39 14 o 71.146  4.1903  621.758    72.017   631.351    108.447  614.190    96.323   71.136  6.3497  70.346  5.6920  0.7899017      8.527467 
1 1 1 -6  -39 15 o 26.244  6.6408  88.656     42.322   83.403     67.596   92.044     54.277   26.421  8.9022  26.855  7.8409  -0.4342365     11.86295 
1 1 1 -6  -39 16 o 75.390  4.0653  697.040    74.091   701.652    109.987  693.207    100.250  75.146  6.0844  74.835  5.5607  0.3108444      8.242646 
1 1 1 -6  -39 17 o 103.395 3.9934  1306.72    100.185  1321.57    146.175  1293.57    137.582  103.383 5.8512  102.372 5.5597  1.011284       8.071336 
1 1 1 -6  -39 18 o 39.879  5.1522  198.406    48.688   224.482    73.748   178.260    64.822   41.879  7.5346  37.242  7.4339  4.637405       10.58456 
1 1 1 -6  -39 19 o 99.674  3.9486  1213.81    95.498   1274.26    138.117  1158.43    132.186  101.613 5.6238  96.863  5.6487  4.750221       7.970877 
1 1 1 -6  -39 20 o 83.034  5.2610  850.026    105.448  0.0000     0.0000   850.026    105.448  ?       ?       83.034  5.2610  0.000000       5.261004 
1 1 1 -6  -39 21 o 38.920  6.4756  191.882    59.005   0.0000     0.0000   191.882    59.005   ?       ?       38.920  6.4756  0.000000       6.475583 
1 1 1 -6  -39 22 o 59.060  4.1067  428.315    58.485   403.062    89.051   447.469    77.555   56.743  6.5906  60.122  5.3729  -3.379295      8.503201 
1 1 1 -6  -39 23 o 58.440  3.9006  418.921    54.992   423.833    78.614   414.214    76.954   58.447  5.6124  57.786  5.5568  0.6601753      7.897979 
1 1 1 -6  -39 24 o 45.407  4.2183  254.216    45.945   273.466    66.483   236.616    63.568   46.744  6.0001  43.378  6.2173  3.366257       8.640339 
1 1 1 -6  -39 25 o 89.380  3.7520  975.252    81.370   971.729    115.528  978.720    114.627  88.769  5.3892  89.105  5.3262  -0.3362122     7.576995 
1 1 1 -6  -39 26 o 93.612  3.7753  1069.98    85.752   1067.46    122.390  1072.40    120.183  93.030  5.4458  93.277  5.3323  -0.2473679     7.621626 
1 1 1 -6  -39 27 f 34.977  5.4607  153.881    44.829   180.689    58.743   116.494    69.371   37.683  6.6686  30.157  8.8814  7.526058       11.10622 
1 1 1 -6  -39 28 o 97.184  4.2758  1155.64    100.826  1173.59    126.793  1124.76    166.283  97.553  5.3774  94.859  7.2800  2.694908       9.050696 
1 1 1 -6  -39 29 o 69.853  3.8094  597.844    64.323   574.672    91.539   620.446    90.405   68.097  5.5894  70.847  5.2974  -2.750374      7.700883 
1 1 1 -6  -39 30 o 27.769  5.7596  98.488     37.535   81.696     55.685   112.471    50.814   25.616  8.0435  29.501  7.1691  -3.885050      10.77473 
1 1 1 -6  -39 31 o 61.795  3.8365  468.519    57.240   531.362    82.235   409.458    79.723   65.527  5.2154  57.323  5.8122  8.204170       7.809057 
1 1 1 -6  -39 32 o 46.921  4.2848  271.869    48.244   215.048    69.159   325.727    67.332   40.982  7.2186  51.122  5.5154  -10.14016      9.084501 
1 1 1 -6  -39 33 o 35.952  4.9342  161.746    41.907   149.549    61.356   172.411    57.375   33.933  7.6365  36.716  6.6867  -2.782883      10.15025 
1 1 1 -6  -39 34 o 101.319 3.8469  1255.98    94.572   1224.19    135.210  1286.42    132.326  99.403  5.6290  102.001 5.3654  -2.598145      7.776503 
1 1 1 -6  -39 35 o 105.544 3.9306  1363.90    100.660  1387.86    143.609  1340.76    141.134  105.826 5.6128  104.009 5.6132  1.816498       7.937973 
1 1 1 -6  -39 36 o 96.747  3.8739  1146.14    90.939   1012.84    129.698  1275.04    127.544  90.196  5.9599  101.543 5.1940  -11.34698      7.905542 
1 1 1 -6  -39 37 o 30.944  7.3790  124.850    54.625   125.949    93.047   124.272    67.477   31.550  10.441  30.807  8.6641  0.7430248      13.56770 
1 1 1 -6  -39 38 o 38.536  6.7068  190.481    60.434   240.414    101.466  163.028    75.235   42.325  10.033  35.085  8.8411  7.240471       13.37253 
1 1 1 -6  -39 39 o 74.627  5.4362  693.011    97.760   799.767    154.358  621.510    126.325  79.010  8.1695  69.829  7.5773  9.181824       11.14258 
1 1 1 -6  -39 40 o 17.510  7.3234  9.7266     52.094   0.0000     0.0000   9.7266     52.094   ?       ?       17.510  7.3234  0.000000       7.323376 
1 1 1 -6  -39 41 f 50.212  3.7800  310.820    45.715   359.719    77.924   285.158    56.451   53.393  6.1258  47.809  4.9373  5.583138       7.867787 
1 1 1 -6  -39 42 f 70.304  3.6927  607.501    62.771   505.229    102.728  668.440    79.298   63.096  6.8184  73.541  4.4650  -10.44516      8.150282 
1 1 1 -6  -39 43 o 39.570  4.4544  195.206    42.024   238.339    73.149   173.956    51.343   42.922  7.2841  36.939  5.9289  5.982609       9.391966 
1 1 1 -6  -39 44 o 25.913  5.8212  86.815     35.707   63.797     66.360   96.195     42.363   24.051  8.7633  27.179  6.5095  -3.128515      10.91646 
1 1 1 -6  -39 45 o 59.517  3.8970  436.904    55.967   395.504    93.998   459.640    69.660   55.546  7.1396  60.812  4.7589  -5.265621      8.580285 
1 1 1 -6  -39 46 o 33.966  6.3141  148.917    50.122   162.144    91.623   143.269    59.875   34.608  10.211  32.940  7.6397  1.668209       12.75258 
1 1 1 -6  -39 47 o 48.248  5.5103  293.486    63.351   328.554    110.341  276.243    77.374   49.395  9.5519  46.217  7.1290  3.178539       11.91896 
1 1 1 -6  -39 48 o 50.987  5.3661  327.172    65.391   313.493    116.381  333.483    79.048   47.739  10.346  51.053  6.5310  -3.313492      12.23482 
1 1 1 -6  -39 49 o 19.427  6.3786  46.180     34.752   6.2663     68.101   60.234     40.409   19.253  8.2264  21.806  6.8528  -2.552813      10.70674 
1 1 1 -6  -39 50 o 52.348  4.1818  340.648    52.672   340.862    94.083   340.550    63.568   50.881  7.8751  52.040  5.0999  -1.159077      9.382239 
1 1 1 -6  -39 51 o 33.623  5.4252  144.908    42.754   103.440    79.897   161.546    50.609   28.293  9.6777  35.302  6.1307  -7.008661      11.45616 
1 1 1 -6  -39 52 o 30.363  5.7668  119.731    40.932   190.068    80.522   95.222     47.531   37.133  9.0253  26.730  7.1773  10.40313       11.53121 
1 1 1 -6  -39 53 o 53.792  4.2336  361.132    54.811   356.213    98.903   363.312    65.848   51.559  8.1787  53.613  5.1242  -2.053944      9.651414 
1 1 1 -6  -39 54 o 21.471  6.6352  59.686     38.064   24.264     79.056   70.376     43.429   21.449  8.9995  23.161  7.0759  -1.712236      11.44811 
1 1 1 -6  -39 55 o 28.911  7.3732  113.238    51.885   91.901     105.216  120.094    59.641   28.015  10.853  29.593  8.0793  -1.577333      13.52967 
1 1 1 -6  -39 56 o 43.225  5.6535  240.844    57.873   298.854    116.736  221.940    66.639   45.120  10.806  40.864  6.9710  4.256313       12.85901 
1 1 1 -6  -39 57 o 49.382  5.2318  311.215    61.733   281.424    123.600  321.117    71.258   43.114  11.573  49.784  6.0214  -6.669861      13.04550 
1 1 1 -6  -39 58 o 29.713  9.0451  123.438    71.056   65.247     138.234  144.335    82.838   27.973  11.827  31.810  9.7816  -3.837887      15.34785 
1 1 1 -6  -39 59 o 36.278  8.6855  184.199    75.439   -63.2984   144.975  276.102    88.342   23.174  10.757  44.779  8.4404  -21.60479      13.67298 
1 1 1 -6  -39 60 o 29.931  7.2214  121.502    51.841   108.858    113.128  124.863    58.326   29.388  11.289  30.132  7.8859  -0.7434978     13.77041 
1 1 1 -6  -39 61 o 51.658  5.2566  340.444    64.971   288.978    131.182  357.172    74.788   43.354  12.041  52.562  5.9700  -9.208267      13.43972 
1 1 1 -6  -39 62 o 15.531  6.6870  1.8938     45.629   9.9173     102.816  -0.0740    50.918   22.592  9.8787  16.171  7.0128  6.421396       12.11483 
1 1 1 -6  -39 63 o 44.578  8.9624  279.808    93.581   129.669    214.122  315.257    104.044  33.472  14.448  47.043  9.4433  -13.57051      17.26064 
1 1 1 -6  -39 64 f 50.603  6.9943  342.333    83.582   580.902    225.013  304.147    90.023   56.259  15.821  46.860  8.2171  9.398968       17.82799 
1 1 1 -6  -38 1  o 30.864  8.5978  125.781    66.780   132.975    77.258   104.525    132.800  31.721  9.3813  31.619  12.208  0.1023865      15.39625 
1 1 1 -6  -38 2  o 35.975  8.5798  171.566    73.841   178.070    86.061   153.418    143.762  36.442  9.5993  35.386  12.898  1.055515       16.07783 
1 1 1 -6  -38 3  o 20.239  8.0610  29.751     59.448   25.695     66.754   45.296     130.693  20.751  8.4437  28.075  11.659  -7.324545      14.39518 
1 1 1 -6  -38 4  o 66.227  6.3034  550.876    100.070  449.371    121.549  764.406    176.294  58.805  8.7883  76.485  9.7188  -17.68041      13.10302 
1 1 1 -6  -38 5  o 68.511  6.1849  587.847    101.706  566.885    123.922  631.105    178.020  66.659  7.8097  68.815  11.034  -2.155922      13.51856 
1 1 1 -6  -38 6  o 130.070 6.0694  2098.95    191.553  2054.99    250.103  2161.32    297.923  127.358 8.1359  129.607 9.5406  -2.249725      12.53852 
1 1 1 -6  -38 7  o 62.272  6.2938  485.864    93.792   460.716    114.586  536.923    163.271  60.018  8.0731  63.602  10.976  -3.583714      13.62556 
1 1 1 -6  -38 8  o 90.685  7.4407  1034.55    162.281  1034.55    162.281  0.0000     0.0000   90.685  7.4407  ?       ?       0.000000       7.440651 
1 1 1 -6  -38 9  o 106.943 7.6684  1437.12    197.663  1437.12    197.663  0.0000     0.0000   106.943 7.6684  ?       ?       0.000000       7.668364 
1 1 1 -6  -38 10 o 20.624  8.1812  30.466     61.006   -6.5960    77.070   92.653     99.834   19.904  8.6299  29.282  10.737  -9.377218      13.77489 
1 1 1 -6  -38 11 o 105.022 5.7205  1362.84    145.223  1283.62    191.328  1470.51    223.057  101.103 7.8610  107.905 8.5906  -6.802429      11.64448 
1 1 1 -6  -38 12 o 97.289  5.6989  1169.08    133.942  1089.43    175.604  1279.88    207.119  93.165  7.8410  100.721 8.5559  -7.555412      11.60543 
1 1 1 -6  -38 13 o 105.497 5.6554  1372.81    144.238  1231.81    189.193  1568.52    222.889  99.123  7.9327  111.769 8.2776  -12.64618      11.46502 
1 1 1 -6  -38 14 o 74.926  5.7355  694.305    103.479  657.029    134.238  748.894    162.448  72.299  7.7742  76.855  8.8744  -4.555305      11.79805 
1 1 1 -6  -38 15 o 63.222  6.0518  496.363    91.701   425.606    115.992  614.303    149.753  57.826  8.5224  69.477  9.1021  -11.65108      12.46915 
1 1 1 -6  -38 16 o 110.748 3.9993  1497.30    107.469  1490.39    155.727  1503.59    148.499  109.953 5.8582  110.668 5.5301  -0.7154160     8.056105 
1 1 1 -6  -38 17 f 118.465 4.0490  1713.19    116.385  1714.04    168.840  1712.43    160.653  118.088 5.8926  118.105 5.6060  -0.1751709E-01 8.133280 
1 1 1 -6  -38 18 o 75.373  4.4165  696.541    80.418   635.381    133.957  731.002    100.554  71.146  7.8928  77.022  5.4149  -5.875694      9.571691 
1 1 1 -6  -38 19 o 58.784  5.7776  428.246    81.344   0.0000     0.0000   428.246    81.344   ?       ?       58.784  5.7776  0.000000       5.777578 
1 1 1 -6  -38 20 o 70.413  5.3059  610.917    89.986   0.0000     0.0000   610.917    89.986   ?       ?       70.413  5.3059  0.000000       5.305896 
1 1 1 -6  -38 21 o 21.448  6.7153  56.249     38.844   41.256     66.229   64.110     47.960   22.291  8.6171  23.093  7.4888  -0.8023052     11.41651 
1 1 1 -6  -38 22 o 19.497  6.0755  46.424     31.837   64.478     46.107   29.971     44.016   23.029  7.3297  18.539  7.0604  4.490532       10.17712 
1 1 1 -6  -38 23 o 14.422  5.8007  11.818     31.101   11.464     44.819   12.146     43.192   16.720  6.8741  16.527  6.7661  0.1926765      9.645431 
1 1 1 -6  -38 24 o 70.409  3.7639  606.180    64.070   548.346    91.312   662.265    89.920   66.607  5.7050  73.375  5.0819  -6.767738      7.640267 
1 1 1 -6  -38 25 o 58.341  3.8963  417.029    54.839   406.560    78.076   427.222    77.042   57.281  5.6929  58.779  5.4644  -1.498325      7.891035 
1 1 1 -6  -38 26 o 66.864  3.7785  546.964    61.051   568.573    87.361   526.338    85.352   67.897  5.3460  65.293  5.4368  2.604424       7.624871 
1 1 1 -6  -38 27 o 119.836 3.9079  1752.27    113.629  1759.19    161.358  1745.46    160.042  119.723 5.5546  119.261 5.5306  0.4620972      7.838416 
1 1 1 -6  -38 28 o 102.857 3.8027  1290.72    94.904   1352.65    135.210  1230.57    133.242  104.884 5.3305  99.979  5.5138  4.904854       7.669164 
1 1 1 -6  -38 29 o 63.392  3.8261  492.149    58.576   533.647    83.074   451.115    82.607   65.758  5.2503  60.327  5.7114  5.430981       7.757995 
1 1 1 -6  -38 30 o 80.254  3.7601  785.962    73.220   893.983    105.201  684.471    101.971  85.234  5.1104  74.406  5.6913  10.82787       7.648996 
1 1 1 -6  -38 31 o 101.862 3.8058  1266.68    94.065   1272.16    133.592  1261.28    132.471  101.615 5.4380  101.185 5.4153  0.4302597      7.674397 
1 1 1 -6  -38 32 o 92.391  3.7833  1042.26    84.814   1050.08    121.749  1034.90    118.218  92.262  5.4628  91.624  5.3407  0.6381836      7.639760 
1 1 1 -6  -38 33 o 98.535  3.8164  1186.00    91.244   1154.21    129.749  1217.10    128.340  96.685  5.5540  99.356  5.3432  -2.670868      7.706942 
1 1 1 -6  -38 34 o 26.750  5.9652  91.709     37.731   147.865    54.821   41.166     52.009   33.934  6.8932  20.646  7.7161  13.28787       10.34670 
1 1 1 -6  -38 35 o 106.537 3.9063  1387.91    100.978  1392.85    144.061  1383.14    141.580  106.143 5.6136  105.799 5.5344  0.3439026      7.882967 
1 1 1 -6  -38 36 o 93.943  3.8219  1079.21    87.119   1044.06    124.847  1112.57    121.625  91.814  5.6313  94.897  5.3033  -3.083382      7.735398 
1 1 1 -6  -38 37 o 58.957  4.0379  427.563    57.415   404.078    82.475   449.648    79.978   56.812  6.0772  60.111  5.5460  -3.298618      8.227395 
1 1 1 -6  -38 38 o 110.662 5.5666  1516.92    148.994  1504.68    227.621  1526.10    197.081  108.620 8.7098  110.128 7.4186  -1.507416      11.44095 
1 1 1 -6  -38 39 o 63.832  5.4641  507.051    83.814   517.217    135.561  500.759    106.638  63.121  9.1151  62.892  7.1130  0.2290459      11.56206 
1 1 1 -6  -38 40 f 59.736  5.7082  445.909    81.730   511.052    133.957  407.281    103.154  62.694  9.0694  56.380  7.7450  6.314362       11.92644 
1 1 1 -6  -38 41 o 15.880  6.6110  8.4178     42.172   -88.7390   78.624   47.660     49.968   15.949  7.5635  21.048  7.6142  -5.099133      10.73231 
1 1 1 -6  -38 42 o 31.094  4.8543  121.942    35.428   114.147    62.225   125.682    43.095   29.525  8.3258  31.327  5.8856  -1.801798      10.19608 
1 1 1 -6  -38 43 o 29.959  5.3060  114.216    37.158   51.687     66.402   142.725    44.836   22.956  8.6889  33.466  5.7275  -10.50968      10.40678 
1 1 1 -6  -38 44 o 76.842  3.7269  723.763    69.488   665.731    112.765  759.290    88.231   72.698  6.4601  78.349  4.6622  -5.650291      7.966728 
1 1 1 -6  -38 45 o 58.244  3.8902  418.095    54.661   424.084    92.330   414.863    67.823   57.793  6.7091  57.759  4.8853  0.3411102E-01  8.299268 
1 1 1 -6  -38 46 o 8.5873  4.1758  -47.9766   27.658   -93.5605   57.156   -34.0393   31.604   12.449  6.0419  10.330  4.8676  2.119042       7.758768 
1 1 1 -6  -38 47 f 23.083  7.3757  66.734     46.652   0.0030     85.946   94.609     55.548   21.120  9.1350  26.953  7.9501  -5.833223      12.11006 
1 1 1 -6  -38 48 o 29.779  6.9095  116.182    48.960   276.694    93.714   55.924     57.419   45.622  8.7845  22.493  8.1583  23.12913       11.98857 
1 1 1 -6  -38 49 o 25.725  7.2143  86.582     46.853   169.662    91.991   57.481     54.444   35.249  10.184  22.394  7.9657  12.85445       12.92909 
1 1 1 -6  -38 50 o 38.206  4.8455  183.785    43.910   219.623    81.851   169.304    52.030   40.463  8.6019  36.255  6.1333  4.207466       10.56458 
1 1 1 -6  -38 51 o 18.844  6.4545  41.912     35.541   111.724    72.417   19.762     40.791   29.041  9.1798  16.690  6.6677  12.35150       11.34582 
1 1 1 -6  -38 52 o 20.192  6.5083  50.942     36.265   111.882    74.431   31.972     41.527   29.018  9.3209  18.136  6.8697  10.88194       11.57894 
1 1 1 -6  -38 53 o 22.917  6.5416  68.739     38.171   -0.5447    77.660   90.810     43.831   19.834  8.6310  26.169  6.8300  -6.335775      11.00654 
1 1 1 -6  -38 54 o 29.613  6.3040  115.442    43.906   28.513     83.060   149.151    51.723   22.223  9.2668  33.663  6.5683  -11.44009      11.35854 
1 1 1 -6  -38 55 o 26.826  7.0058  96.333     46.096   123.342    83.161   84.354     55.383   30.037  9.8675  25.285  8.0317  4.751688       12.72302 
1 1 1 -6  -38 56 o 12.711  5.8704  -29.9385   42.383   -72.2095   95.331   -19.5249   47.317   18.285  8.5646  14.267  6.4391  4.017723       10.71513 
1 1 1 -6  -38 57 o 33.283  6.8335  147.855    53.339   211.418    112.217  129.303    60.625   37.717  11.341  30.677  8.0453  7.040239       13.90513 
1 1 1 -6  -38 58 o 17.903  7.6147  9.4521     57.873   -150.7596  113.832  65.297     67.206   17.749  8.5929  23.653  8.7847  -5.904692      12.28861 
1 1 1 -6  -38 59 o 32.036  9.0694  144.186    73.685   241.696    142.550  108.633    86.076   39.388  12.918  28.512  10.029  10.87601       16.35428 
1 1 1 -6  -38 60 o 35.450  8.9653  176.377    77.167   159.641    156.975  181.711    88.613   34.033  13.236  35.582  9.9012  -1.549583      16.52925 
1 1 1 -6  -38 61 o 31.575  7.7404  136.211    58.845   -92.0205   190.434  160.304    61.873   25.724  12.067  34.347  7.6231  -8.623350      14.27311 
1 1 1 -6  -38 62 o 25.080  7.8076  84.134     52.594   -15.7941   189.730  92.452     54.739   27.841  12.694  26.148  7.9342  1.692888       14.97001 
1 1 1 -6  -38 63 o 27.298  8.2097  102.174    58.798   196.301    199.124  93.183     61.542   36.379  14.662  26.262  8.4797  10.11646       16.93715 
1 1 1 -6  -38 64 f 28.327  12.872  7.4367     193.002  7.4367     193.002  0.0000     0.0000   28.327  12.872  ?       ?       0.000000       12.87242 
1 1 1 -6  -37 1  o 94.434  5.9017  1111.16    134.551  1076.15    169.642  1170.53    220.928  92.108  7.6600  94.855  9.7371  -2.747429      12.38900 
1 1 1 -6  -37 2  o 123.815 6.0281  1903.11    181.098  1810.73    235.443  2036.96    283.396  119.397 8.1762  125.815 9.3500  -6.417961      12.42067 
1 1 1 -6  -37 3  o 119.799 5.9632  1778.81    173.338  1800.57    224.577  1746.74    272.625  119.414 7.7935  116.340 9.7475  3.074348       12.48014 
1 1 1 -6  -37 4  o 102.304 5.8568  1298.77    144.781  1256.91    184.675  1365.55    233.222  99.839  7.6823  103.127 9.4245  -3.288094      12.15894 
1 1 1 -6  -37 5  o 158.205 6.3988  3104.03    245.633  2986.39    328.028  3254.21    370.612  153.443 8.8480  159.573 9.6168  -6.130463      13.06788 
1 1 1 -6  -37 6  o 40.308  7.7768  209.510    73.303   241.947    85.381   118.566    142.962  43.196  8.4488  33.679  12.749  9.517693       15.29425 
1 1 1 -6  -37 7  o 111.028 7.6178  1543.93    203.981  1543.93    203.981  0.0000     0.0000   111.028 7.6178  ?       ?       0.000000       7.617791 
1 1 1 -6  -37 8  o 63.975  7.6084  516.121    115.788  516.121    115.788  0.0000     0.0000   63.975  7.6084  ?       ?       0.000000       7.608398 
1 1 1 -6  -37 9  o 124.292 5.8876  1902.04    177.561  1822.10    233.371  2011.94    273.624  120.659 8.0168  126.327 8.9853  -5.668144      12.04183 
1 1 1 -6  -37 10 o 55.560  6.4628  385.669    85.497   378.036    109.327  397.688    137.182  54.421  8.5622  55.181  10.631  -0.7596550     13.65046 
1 1 1 -6  -37 11 o 52.478  6.6912  345.021    83.263   402.422    106.307  253.928    133.920  56.390  7.9933  43.821  12.164  12.56890       14.55551 
1 1 1 -6  -37 12 o 70.995  5.7997  622.942    99.035   645.611    127.025  587.804    158.147  71.882  7.3880  67.771  9.9102  4.111458       12.36103 
1 1 1 -6  -37 13 o 148.508 6.0979  2710.30    219.734  2594.94    296.161  2851.58    327.735  144.216 8.5011  150.959 8.9881  -6.743286      12.37156 
1 1 1 -6  -37 14 o 117.093 5.6574  1681.14    160.736  1661.50    213.827  1706.65    243.725  115.662 7.6626  116.860 8.6570  -1.197754      11.56112 
1 1 1 -6  -37 15 o 72.958  5.6895  656.305    99.923   622.964    129.426  705.503    157.217  70.601  7.6790  74.850  8.8263  -4.249298      11.69916 
1 1 1 -6  -37 16 o 67.904  5.8211  569.294    94.982   571.831    122.661  565.494    150.107  67.647  7.6048  66.721  9.5440  0.9266052      12.20329 
1 1 1 -6  -37 17 o 32.839  11.339  125.195    109.786  0.0000     0.0000   125.195    109.786  ?       ?       32.839  11.339  0.000000       11.33931 
1 1 1 -6  -37 18 o 115.991 8.7009  1677.37    243.096  0.0000     0.0000   1677.37    243.096  ?       ?       115.991 8.7009  0.000000       8.700935 
1 1 1 -6  -37 19 o 121.398 8.4575  1833.27    247.568  0.0000     0.0000   1833.27    247.568  ?       ?       121.398 8.4575  0.000000       8.457465 
1 1 1 -6  -37 20 o 77.160  3.8810  727.225    72.430   881.288    108.332  602.689    97.400   84.728  5.2960  69.914  5.7938  14.81487       7.849583 
1 1 1 -6  -37 21 f 47.268  4.1071  274.393    46.637   271.595    67.015   277.021    64.942   46.693  6.0577  47.217  5.7898  -0.5235481     8.379626 
1 1 1 -6  -37 22 f 48.191  4.1074  285.129    47.570   264.705    69.197   303.430    65.503   46.025  6.3668  49.492  5.5502  -3.467243      8.446301 
1 1 1 -6  -37 23 o 76.667  3.7191  715.925    69.185   731.765    98.585   700.553    97.115   77.177  5.2966  75.498  5.3357  1.678551       7.518198 
1 1 1 -6  -37 24 o 116.684 3.8931  1659.03    110.222  1647.13    156.890  1670.62    154.884  115.999 5.5741  116.843 5.4631  -0.8445587     7.804891 
1 1 1 -6  -37 25 o 107.325 3.7983  1403.37    98.914   1401.20    140.463  1405.50    139.314  106.871 5.4346  107.182 5.3568  -0.3112259     7.630923 
1 1 1 -6  -37 26 o 33.866  4.8810  142.963    38.951   160.904    55.648   125.732    54.538   35.620  6.6842  31.328  7.3085  4.291681       9.904110 
1 1 1 -6  -37 27 o 67.801  3.7387  561.793    61.268   591.418    87.048   532.709    86.250   69.339  5.2120  65.743  5.4562  3.596291       7.545555 
1 1 1 -6  -37 28 o 72.838  3.7668  648.270    66.345   638.495    95.374   657.435    92.351   71.995  5.5013  73.112  5.2406  -1.116531      7.597864 
1 1 1 -6  -37 29 o 116.149 3.8938  1644.88    109.737  1557.38    156.191  1730.18    154.210  112.548 5.7385  118.860 5.3470  -6.312729      7.843554 
1 1 1 -6  -37 30 o 138.241 4.1105  2332.03    137.879  2280.74    195.714  2382.58    194.275  136.289 5.9183  139.347 5.7459  -3.057251      8.248719 
1 1 1 -6  -37 31 o 61.233  4.4094  460.394    65.074   456.398    82.759   466.866    105.326  60.725  5.6828  61.053  7.2517  -0.3280449     9.213057 
1 1 1 -6  -37 32 o 53.263  4.4785  349.187    57.341   347.253    73.743   352.144    91.194   52.848  5.8488  52.876  7.3029  -0.2761841E-01 9.356301 
1 1 1 -6  -37 33 o 57.649  3.9684  407.623    55.172   458.551    78.687   358.373    77.379   60.898  5.3805  53.634  6.0518  7.264523       8.097764 
1 1 1 -6  -37 34 o 111.168 3.8801  1508.85    104.663  1547.05    149.210  1471.85    146.848  112.215 5.4801  109.300 5.5554  2.915192       7.803452 
1 1 1 -6  -37 35 o 61.882  3.9243  469.625    58.619   463.400    84.097   475.509    81.752   61.097  5.7401  61.955  5.4953  -0.8574982     7.946503 
1 1 1 -6  -37 36 o 108.566 3.9076  1440.32    102.938  1401.88    146.861  1477.44    144.324  106.532 5.7022  109.591 5.4275  -3.059402      7.872271 
1 1 1 -6  -37 37 o 37.048  4.9464  171.424    43.354   163.389    63.458   178.458    59.370   35.551  7.5876  37.379  6.7963  -1.828457      10.18639 
1 1 1 -6  -37 38 o 152.055 4.1888  2831.16    154.545  2762.60    230.559  2887.10    208.259  149.303 6.3643  152.990 5.6102  -3.686798      8.483976 
1 1 1 -6  -37 39 o 92.582  5.4019  1060.34    120.822  1154.35    186.516  992.362    158.597  95.482  8.1280  88.794  7.4294  6.687935       11.01185 
1 1 1 -6  -37 40 o 112.070 5.5699  1551.73    151.460  1576.50    230.235  1532.83    201.101  111.299 8.5919  110.321 7.5582  0.9783325      11.44326 
1 1 1 -6  -37 41 o 111.205 5.5440  1528.99    149.595  1645.21    229.199  1442.73    197.450  113.738 8.3638  106.871 7.6653  6.866287       11.34502 
1 1 1 -6  -37 42 o 86.403  5.4720  926.773    114.127  858.279    177.802  974.767    148.833  81.499  9.1493  87.982  7.0305  -6.482834      11.53851 
1 1 1 -6  -37 43 o 88.540  3.6478  959.592    78.366   889.008    123.378  1007.33    101.462  84.360  6.0680  90.353  4.6437  -5.992485      7.641012 
1 1 1 -6  -37 44 o 112.216 3.8877  1543.75    105.855  1452.07    165.348  1607.42    137.793  107.730 6.3537  114.129 4.9758  -6.398361      8.070195 
1 1 1 -6  -37 45 o 47.722  4.1535  281.723    47.615   316.789    82.700   264.336    58.236   49.791  7.0418  45.928  5.3245  3.862438       8.828199 
1 1 1 -6  -37 46 o 23.840  6.1247  73.488     35.617   -24.9365   66.543   113.007    42.165   17.202  7.7104  29.614  6.0719  -12.41221      9.814164 
1 1 1 -6  -37 47 o 76.658  3.7904  720.728    70.504   665.764    116.776  752.256    88.443   72.571  6.7076  77.958  4.6975  -5.387291      8.188974 
1 1 1 -6  -37 48 o 53.871  5.2936  363.122    68.300   466.598    122.069  315.964    82.407   59.750  8.6733  49.633  7.0400  10.11708       11.17084 
1 1 1 -6  -37 49 o 42.391  5.9103  228.276    59.139   190.975    110.186  243.369    70.089   37.317  11.242  43.470  6.8736  -6.153206      13.17688 
1 1 1 -6  -37 50 o 25.515  7.2976  84.917     47.456   134.746    96.242   68.910     54.548   32.037  10.620  23.729  7.9970  8.307873       13.29389 
1 1 1 -6  -37 51 o 72.666  3.9875  652.169    70.037   575.490    119.622  692.164    86.393   66.750  7.5166  74.575  4.7999  -7.825294      8.918435 
1 1 1 -6  -37 52 o 22.110  6.5959  62.956     38.067   143.257    76.112   36.169     43.960   32.477  9.2258  18.939  7.0908  13.53723       11.63590 
1 1 1 -6  -37 53 o 9.9477  4.7715  -45.9726   33.195   -65.3338   66.637   -39.5825   38.283   14.995  7.0665  11.388  5.3634  3.607191       8.871414 
1 1 1 -6  -37 54 o 42.727  4.9155  230.408    50.032   333.649    90.029   184.275    60.181   50.328  7.6099  37.456  6.8752  12.87257       10.25572 
1 1 1 -6  -37 55 o 59.888  4.7269  449.658    68.129   686.428    150.922  389.060    76.351   71.418  8.9026  55.237  5.7824  16.18126       10.61565 
1 1 1 -6  -37 56 o 52.744  4.9995  351.336    63.219   273.258    123.768  378.897    73.535   43.005  11.596  54.505  5.6419  -11.49991      12.89581 
1 1 1 -6  -37 57 o 53.915  5.5199  370.654    71.192   597.026    205.396  339.745    75.897   61.542  14.062  51.260  6.2303  10.28292       15.38064 
1 1 1 -6  -37 58 o 49.014  5.3418  306.226    62.499   319.883    124.498  301.625    72.265   46.678  11.146  48.181  6.3350  -1.503891      12.82057 
1 1 1 -6  -37 59 f 20.904  8.3936  36.192     65.000   186.921    132.868  -11.2300   74.526   35.613  12.464  18.657  8.2738  16.95547       14.96053 
1 1 1 -6  -37 60 o 39.741  8.5347  217.514    79.841   209.354    151.520  220.651    93.941   37.239  13.284  39.329  9.8620  -2.090065      16.54482 
1 1 1 -6  -37 61 o 34.515  6.6905  157.870    54.009   240.345    115.832  134.958    61.051   40.270  11.361  31.404  7.9921  8.866543       13.89045 
1 1 1 -6  -37 62 o 23.454  7.6427  71.388     49.926   10.808     108.498  87.661     56.233   23.326  10.175  25.637  8.0877  -2.311312      12.99789 
1 1 1 -6  -37 63 o 49.039  10.843  351.112    125.586  351.112    125.586  0.0000     0.0000   49.039  10.843  ?       ?       0.000000       10.84252 
1 1 1 -6  -37 64 o 44.414  16.667  366.106    243.170  366.106    243.170  0.0000     0.0000   44.414  16.667  ?       ?       0.000000       16.66750 
1 1 1 -6  -36 1  o 142.183 7.2010  2532.04    247.620  2431.32    366.706  2616.46    335.717  136.358 11.182  142.700 9.7543  -6.342300      14.83844 
1 1 1 -6  -36 2  o 49.250  6.5702  306.071    76.555   54.180     174.285  366.290    85.216   32.078  13.404  53.924  6.6541  -21.84615      14.96468 
1 1 1 -6  -36 3  o 101.276 4.1559  1255.33    102.127  1275.41    147.929  1237.05    141.166  101.422 6.0385  99.948  5.8464  1.474365       8.404997 
1 1 1 -6  -36 4  f 93.777  4.1591  1075.73    94.636   979.884    136.239  1165.11    131.556  88.800  6.3652  97.116  5.6067  -8.315453      8.482399 
1 1 1 -6  -36 5  o 103.933 4.1677  1320.66    105.102  1214.88    151.509  1418.79    145.922  98.992  6.3410  107.245 5.6273  -8.252403      8.477929 
1 1 1 -6  -36 6  o 149.182 6.3958  2746.02    231.514  2746.02    231.514  0.0000     0.0000   149.182 6.3958  ?       ?       0.000000       6.395821 
1 1 1 -6  -36 7  f 120.087 6.0615  1778.88    176.051  1778.88    176.051  0.0000     0.0000   120.087 6.0615  ?       ?       0.000000       6.061514 
1 1 1 -6  -36 8  o 78.427  4.6711  754.744    88.486   729.667    114.588  791.786    139.265  76.776  6.2041  79.708  7.2812  -2.931511      9.565872 
1 1 1 -6  -36 9  o 163.082 4.5218  3249.18    178.929  3418.68    258.204  3092.58    248.180  166.708 6.3833  158.534 6.4518  8.173813       9.075870 
1 1 1 -6  -36 10 o 194.851 4.9252  4642.04    232.859  4809.74    334.022  4483.48    324.798  197.576 6.9675  190.736 7.0181  6.840134       9.889352 
1 1 1 -6  -36 11 o 20.494  8.1820  26.987     61.380   111.371    76.455   -126.0097  102.948  30.004  9.4256  18.079  8.5975  11.92464       12.75767 
1 1 1 -6  -36 12 o 190.120 6.8694  4444.94    316.890  4583.02    433.141  4285.91    464.835  191.980 9.2984  184.822 10.408  7.157974       13.95635 
1 1 1 -6  -36 13 o 70.622  5.8994  614.996    100.166  548.574    129.938  712.276    157.251  66.138  8.2782  75.357  8.7638  -9.218483      12.05543 
1 1 1 -6  -36 14 o 96.691  5.5753  1147.25    130.248  1119.24    170.161  1186.88    202.401  95.081  7.4349  97.594  8.6364  -2.513527      11.39582 
1 1 1 -6  -36 15 o 80.250  5.6565  791.464    109.438  739.945    141.137  869.145    173.306  77.166  7.6382  83.419  8.6897  -6.252686      11.56950 
1 1 1 -6  -36 16 o 174.940 9.7141  3809.94    410.718  0.0000     0.0000   3809.94    410.718  ?       ?       174.940 9.7141  0.000000       9.714118 
1 1 1 -6  -36 17 o 120.868 8.7911  1814.13    256.053  0.0000     0.0000   1814.13    256.053  ?       ?       120.868 8.7911  0.000000       8.791059 
1 1 1 -6  -36 18 o 82.082  9.1380  843.021    178.908  0.0000     0.0000   843.021    178.908  ?       ?       82.082  9.1380  0.000000       9.138021 
1 1 1 -6  -36 19 o 58.227  5.7899  418.504    80.717   545.823    108.772  262.469    120.415  66.374  6.8525  45.007  11.097  21.36654       13.04199 
1 1 1 -6  -36 20 o 79.855  5.2663  781.885    101.468  761.146    133.044  810.720    156.877  78.453  7.0649  80.751  8.1165  -2.297974      10.76061 
1 1 1 -6  -36 21 o 56.756  5.5993  397.342    76.104   412.689    97.966   373.983    120.859  57.558  7.1701  54.210  9.5365  3.347980       11.93130 
1 1 1 -6  -36 22 o 74.493  5.2641  680.829    94.537   703.516    124.948  650.451    144.581  75.434  6.9030  72.175  8.4138  3.259712       10.88319 
1 1 1 -6  -36 23 o 58.572  3.8525  419.430    54.446   388.293    77.983   449.042    76.049   56.060  5.8177  60.424  5.2389  -4.363800      7.828866 
1 1 1 -6  -36 24 o 80.409  3.7165  786.953    72.511   586.301    102.827  985.423    102.266  68.934  6.2145  89.770  4.7115  -20.83608      7.798578 
1 1 1 -6  -36 25 o 101.948 3.7507  1265.17    92.781   1242.47    132.027  1287.32    130.413  100.703 5.4233  102.539 5.2593  -1.836349      7.554618 
1 1 1 -6  -36 26 o 165.552 4.4027  3340.88    176.854  3340.63    250.824  3341.14    249.400  165.147 6.2594  165.169 6.2231  -0.2168274E-01 8.826500 
1 1 1 -6  -36 27 f 65.609  3.7639  525.812    59.669   488.626    84.873   562.154    83.905   62.969  5.6138  67.652  5.1501  -4.683262      7.618295 
1 1 1 -6  -36 28 o 92.502  3.7298  1041.88    83.715   981.164    118.586  1102.19    118.198  89.412  5.4926  94.848  5.1553  -5.435562      7.532978 
1 1 1 -6  -36 29 o 72.448  3.7416  640.890    65.548   615.297    92.985   666.169    92.414   70.723  5.4610  73.650  5.2049  -2.926895      7.544057 
1 1 1 -6  -36 30 o 177.147 4.5900  3830.14    197.292  3657.60    279.885  4000.54    278.151  172.533 6.6857  180.552 6.3491  -8.019043      9.220064 
1 1 1 -6  -36 31 o 24.415  6.1568  75.966     36.466   63.072     52.764   87.757     50.455   23.333  7.8651  26.346  7.5210  -3.013241      10.88235 
1 1 1 -6  -36 32 o 187.825 4.7559  4310.77    216.747  4251.32    307.935  4369.14    305.137  185.822 6.8296  188.442 6.6735  -2.619690      9.548805 
1 1 1 -6  -36 33 o 154.864 4.2847  2927.64    161.003  2930.61    229.061  2924.75    226.350  154.450 6.1122  154.317 6.0451  0.1334991      8.596652 
1 1 1 -6  -36 34 o 76.266  3.7706  709.261    69.776   629.956    99.837   784.985    97.557   71.398  5.8134  79.916  5.0572  -8.517784      7.705190 
1 1 1 -6  -36 35 o 115.959 3.9590  1641.13    111.391  1651.83    158.788  1630.76    156.303  115.979 5.6425  115.250 5.5893  0.7289886      7.942228 
1 1 1 -6  -36 36 o 138.338 4.1688  2338.28    139.932  2200.11    199.204  2472.87    196.608  133.636 6.1434  141.824 5.7133  -8.187775      8.389495 
1 1 1 -6  -36 37 o 94.975  3.5589  1100.43    82.014   1102.58    126.839  1098.88    107.513  94.538  5.5538  94.719  4.6780  -0.1805573     7.261475 
1 1 1 -6  -36 38 o 90.790  3.5910  1006.06    79.106   981.938    122.985  1023.08    103.315  89.111  5.7182  91.247  4.6821  -2.136650      7.390522 
1 1 1 -6  -36 39 o 95.739  3.5945  1119.18    83.501   1173.30    129.434  1080.60    109.284  97.462  5.4957  93.715  4.8223  3.747055       7.311511 
1 1 1 -6  -36 40 o 50.785  5.8764  322.622    71.074   248.285    115.406  368.044    90.212   43.072  11.003  53.948  7.0611  -10.87648      13.07369 
1 1 1 -6  -36 41 o 124.817 5.7297  1925.02    173.529  1965.95    262.258  1893.15    231.435  124.380 8.7455  122.601 7.8206  1.778419       11.73227 
1 1 1 -6  -36 42 o 108.126 5.5578  1447.96    145.320  1582.60    222.768  1348.23    191.732  111.694 8.2787  103.358 7.7004  8.335838       11.30629 
1 1 1 -6  -36 43 o 102.671 5.5350  1306.82    137.380  1384.81    211.684  1250.06    180.573  104.257 8.4404  99.511  7.5344  4.746132       11.31405 
1 1 1 -6  -36 44 o 95.120  3.6836  1107.33    85.018   1073.49    134.706  1129.73    109.606  92.805  6.0144  95.812  4.7147  -3.007042      7.642100 
1 1 1 -6  -36 45 o 50.786  4.0655  318.322    49.679   429.741    85.841   262.211    60.917   58.488  6.1404  45.691  5.6127  12.79691       8.319015 
1 1 1 -6  -36 46 o 31.731  5.2066  127.482    38.696   146.241    72.221   119.928    45.830   33.249  8.8107  30.478  6.4010  2.771141       10.89042 
1 1 1 -6  -36 47 o 62.884  3.9251  486.804    59.591   324.180    101.170  573.199    73.740   49.762  8.6954  68.111  4.4871  -18.34822      9.784875 
1 1 1 -6  -36 48 o 45.136  4.4005  252.958    47.580   272.331    85.421   244.244    57.291   45.738  7.9876  44.069  5.4759  1.669113       9.684387 
1 1 1 -6  -36 49 o 29.794  6.9056  115.870    48.948   79.856     90.279   130.866    58.254   27.215  10.167  31.529  7.6846  -4.313938      12.74443 
1 1 1 -6  -36 50 o 24.557  7.5314  77.160     49.146   39.623     96.357   90.358     57.137   24.677  10.105  26.464  8.1213  -1.787146      12.96380 
1 1 1 -6  -36 51 o 41.817  4.7038  218.811    46.899   205.262    88.012   224.184    55.423   38.929  9.4196  42.085  5.5639  -3.156223      10.94013 
1 1 1 -6  -36 52 o 15.215  6.4313  4.5868     40.860   -2.8699    91.492   6.4447     45.668   21.458  9.3526  16.164  6.8140  5.294840       11.57156 
1 1 1 -6  -36 53 o 12.839  5.7355  -13.3257   36.495   -27.5461   71.225   -8.2630    42.498   17.559  7.9148  14.371  6.3158  3.188066       10.12584 
1 1 1 -6  -36 54 o 25.161  6.7726  83.371     42.262   53.990     79.932   94.771     49.790   23.989  9.4125  26.735  7.4156  -2.745499      11.98278 
1 1 1 -6  -36 55 o 33.850  5.7327  147.775    45.404   278.415    78.223   81.395     55.759   46.081  7.2342  25.073  8.0689  21.00830       10.83701 
1 1 1 -6  -36 56 o 75.440  4.1641  707.154    75.928   612.604    129.739  756.406    93.638   68.077  8.0073  77.634  4.9975  -9.556511      9.438827 
1 1 1 -6  -36 57 o 29.169  7.1985  114.177    50.637   88.232     96.983   123.901    59.373   27.537  10.482  30.188  7.9834  -2.651115      13.17598 
1 1 1 -6  -36 58 o 57.976  4.7391  422.554    66.085   447.505    121.783  412.140    78.676   57.190  9.0796  56.771  5.7927  0.4189491      10.77009 
1 1 1 -6  -36 59 o 11.787  5.6731  -67.0913   47.880   -35.5982   81.576   -83.6426   59.138   18.264  8.3263  12.996  6.2674  5.268092       10.42154 
1 1 1 -6  -36 60 o 22.102  8.3188  53.098     60.662   -17.4837   102.320  91.354     75.329   21.424  9.5850  26.693  9.3828  -5.269224      13.41299 
1 1 1 -6  -36 61 o 21.524  8.3267  45.844     61.875   46.357     111.394  45.615     74.409   25.608  10.709  22.607  9.0139  3.000912       13.99802 
1 1 1 -6  -36 62 o 32.731  6.4029  141.165    49.030   148.345    105.831  139.202    55.325   32.560  11.138  32.187  7.2573  0.3734360      13.29385 
1 1 1 -6  -36 63 o 22.610  9.7769  13.719     98.391   13.719     98.391   0.0000     0.0000   22.610  9.7769  ?       ?       0.000000       9.776872 
1 1 1 -6  -36 64 o 23.392  11.317  -207.5105  196.633  -207.5105  196.633  0.0000     0.0000   23.392  11.317  ?       ?       0.000000       11.31725 
1 1 1 -6  -36 65 o 24.689  9.7990  63.298     87.563   359.232    224.540  10.223     95.091   44.310  16.124  21.888  9.5375  22.42141       18.73331 
1 1 1 -6  -35 1  o 133.726 4.3408  2189.39    140.847  2221.41    203.217  2159.78    195.390  134.050 6.2478  132.239 6.0894  1.810867       8.724473 
1 1 1 -6  -35 2  o 72.859  4.3227  651.679    76.077   657.514    108.508  646.038    106.692  72.737  6.2076  72.109  6.1569  0.6280212      8.743122 
1 1 1 -6  -35 3  o 58.092  4.6317  415.641    64.743   414.217    91.442   417.073    91.678   57.534  6.6742  57.736  6.6667  -0.2025604     9.433467 
1 1 1 -6  -35 4  o 151.684 4.4618  2812.89    164.216  2776.31    236.023  2847.22    228.627  150.058 6.4823  152.067 6.1962  -2.009445      8.967381 
1 1 1 -6  -35 5  o 167.077 6.6417  3440.27    269.254  3440.27    269.254  0.0000     0.0000   167.077 6.6417  ?       ?       0.000000       6.641719 
1 1 1 -6  -35 6  o 117.133 5.9760  1688.51    169.279  1688.51    169.279  0.0000     0.0000   117.133 5.9760  ?       ?       0.000000       5.975980 
1 1 1 -6  -35 7  o 120.530 4.6849  1774.41    137.012  1800.30    174.773  1733.14    220.688  121.157 5.9451  118.196 7.7378  2.960915       9.757952 
1 1 1 -6  -35 8  o 159.268 4.4293  3094.84    171.169  3186.66    246.949  3009.94    237.468  161.146 6.3157  156.633 6.2483  4.513168       8.884202 
1 1 1 -6  -35 9  o 172.967 4.6217  3650.49    193.969  3847.06    279.134  3466.93    269.733  177.069 6.4969  168.059 6.6147  9.010391       9.271671 
1 1 1 -6  -35 10 o 101.985 4.0040  1266.99    99.083   1251.93    145.429  1280.03    135.360  100.957 5.9632  102.185 5.4793  -1.227921      8.098304 
1 1 1 -6  -35 11 o 71.051  4.1428  617.047    71.112   592.905    107.451  635.861    94.856   69.269  6.4679  71.934  5.4757  -2.665009      8.474520 
1 1 1 -6  -35 12 o 72.347  4.0668  639.376    71.100   622.009    107.893  652.707    94.529   71.007  6.3286  72.914  5.3810  -1.907562      8.306995 
1 1 1 -6  -35 13 o 47.653  4.6927  279.452    53.556   338.454    82.425   236.343    70.455   52.156  6.6657  43.390  6.9249  8.765999       9.611717 
1 1 1 -6  -35 14 o 158.609 5.0512  3068.36    194.395  3145.53    244.366  2935.36    320.811  160.359 6.2804  154.125 8.6130  6.233719       10.65954 
1 1 1 -6  -35 15 o 318.937 13.858  12822.21   1072.41  0.0000     0.0000   12822.21   1072.41  ?       ?       318.937 13.858  0.000000       13.85776 
1 1 1 -6  -35 16 o 105.308 5.4976  1357.09    139.988  0.0000     0.0000   1357.09    139.988  ?       ?       105.308 5.4976  0.000000       5.497648 
1 1 1 -6  -35 17 o 84.304  8.9243  884.891    179.777  0.0000     0.0000   884.891    179.777  ?       ?       84.304  8.9243  0.000000       8.924314 
1 1 1 -6  -35 18 o 138.361 5.8541  2337.78    196.533  2438.33    266.673  2218.24    290.766  140.730 7.8407  133.894 9.0022  6.835999       11.93805 
1 1 1 -6  -35 19 o 124.053 5.5188  1877.82    166.118  1897.03    223.239  1853.98    248.664  124.178 7.4434  122.520 8.4156  1.658401       11.23501 
1 1 1 -6  -35 20 o 170.314 6.2423  3545.04    257.963  3296.68    353.132  3829.23    377.741  163.380 8.9418  176.142 8.8666  -12.76247      12.59259 
1 1 1 -6  -35 21 o 167.399 6.1855  3424.27    251.240  3217.57    343.635  3661.64    368.256  161.445 8.8055  172.244 8.8411  -10.79927      12.47802 
1 1 1 -6  -35 22 o 124.200 5.5417  1882.35    167.005  1924.05    225.385  1831.58    248.695  125.059 7.4615  121.762 8.4704  3.297325       11.28815 
1 1 1 -6  -35 23 o 135.066 5.6649  2226.81    185.654  2164.87    252.108  2300.20    274.416  132.573 7.8726  136.549 8.3221  -3.976044      11.45584 
1 1 1 -6  -35 24 o 79.402  5.1871  772.101    99.385   745.909    131.092  807.503    152.408  77.731  7.0265  80.729  7.8811  -2.997810      10.55857 
1 1 1 -6  -35 25 o 103.250 4.2382  1297.93    106.177  1344.41    178.464  1272.46    132.100  104.520 7.0788  101.986 5.3570  2.533623       8.877273 
1 1 1 -6  -35 26 f 130.989 4.0197  2088.42    127.758  1959.27    181.483  2215.29    179.881  126.635 5.9063  134.717 5.5030  -8.082161      8.072628 
1 1 1 -6  -35 27 o 152.990 4.2542  2850.32    157.924  2846.19    224.131  2854.39    222.553  152.586 6.0537  152.815 6.0021  -0.2295685     8.524850 
1 1 1 -6  -35 28 o 46.710  4.1597  267.768    46.652   241.925    66.585   292.685    65.382   44.010  6.4247  48.630  5.6461  -4.619987      8.553119 
1 1 1 -6  -35 29 o 73.313  3.7755  655.886    66.933   565.835    95.450   743.010    93.886   67.784  5.8611  77.882  4.9945  -10.09814      7.700500 
1 1 1 -6  -35 30 o 62.134  3.8250  471.760    57.387   498.467    82.124   446.274    80.224   63.660  5.3667  60.179  5.5568  3.480431       7.725230 
1 1 1 -6  -35 31 o 104.644 3.7788  1333.28    95.946   1381.48    137.142  1287.07    134.280  106.333 5.3154  102.481 5.4194  3.851471       7.591024 
1 1 1 -6  -35 32 o 162.431 4.3996  3217.44    173.398  3092.52    246.401  3340.00    244.060  158.793 6.3951  165.107 6.0921  -6.313919      8.832369 
1 1 1 -6  -35 33 o 152.066 4.2558  2819.87    157.028  2832.70    223.270  2807.32    220.891  152.012 6.0532  151.340 6.0154  0.6726227      8.533828 
1 1 1 -6  -35 34 o 114.654 3.8863  1602.18    108.116  1565.38    154.746  1637.28    151.117  113.043 5.6417  115.660 5.3848  -2.616508      7.799028 
1 1 1 -6  -35 35 o 109.574 3.8753  1463.81    103.033  1448.44    147.706  1478.38    143.793  108.562 5.6267  109.866 5.3940  -1.303986      7.794503 
1 1 1 -6  -35 36 o 158.904 4.1493  3082.03    159.985  3390.90    237.208  2824.29    216.687  166.170 5.8832  151.650 5.8888  14.51923       8.324046 
1 1 1 -6  -35 37 o 135.133 3.9334  2228.48    128.973  2282.54    193.623  2185.36    172.919  136.278 5.8555  133.491 5.3386  2.787247       7.923894 
1 1 1 -6  -35 38 o 50.191  3.6913  308.966    44.638   269.066    74.536   331.280    55.740   46.177  6.8609  51.855  4.4739  -5.677628      8.190714 
1 1 1 -6  -35 39 o 68.043  3.5734  566.396    58.790   594.631    93.862   548.169    75.415   69.306  5.6302  66.736  4.6870  2.570335       7.325832 
1 1 1 -6  -35 40 o 126.321 3.8535  1949.56    118.112  2030.60    179.466  1887.64    156.875  128.366 5.7619  123.939 5.2165  4.427460       7.772511 
1 1 1 -6  -35 41 o 36.080  6.9026  166.805    58.227   143.031    97.971   179.789    72.402   33.504  10.687  37.175  8.2428  -3.671024      13.49619 
1 1 1 -6  -35 42 o 91.821  5.4299  1042.61    120.438  927.338    184.804  1127.72    158.791  85.131  9.0870  94.950  6.9404  -9.818787      11.43430 
1 1 1 -6  -35 43 o 120.519 5.7174  1795.12    167.193  1717.19    253.858  1854.82    222.188  115.953 9.0959  121.455 7.5772  -5.502708      11.83849 
1 1 1 -6  -35 44 o 81.930  5.4369  832.246    107.469  708.846    166.833  919.772    140.505  73.946  9.5193  85.635  6.8185  -11.68834      11.70937 
1 1 1 -6  -35 45 o 65.935  3.7048  533.598    59.032   552.540    97.698   522.706    74.085   66.448  6.1286  65.021  4.7282  1.426903       7.740499 
1 1 1 -6  -35 46 o 55.940  3.9410  385.284    53.150   471.903    90.176   339.176    65.792   61.342  6.1410  52.158  5.2710  9.184505       8.092934 
1 1 1 -6  -35 47 o 85.226  4.1523  891.289    85.867   858.591    173.198  901.945    98.873   81.607  8.8908  85.447  4.7882  -3.840523      10.09814 
1 1 1 -6  -35 48 o 55.256  4.0779  376.624    54.287   311.564    95.172   408.002    66.095   48.941  8.3118  57.349  4.7938  -8.408062      9.595124 
1 1 1 -6  -35 49 o 73.207  5.1036  665.415    90.089   681.907    153.527  656.754    111.256  72.474  8.9188  72.253  6.4127  0.2203598      10.98485 
1 1 1 -6  -35 50 o 65.153  5.2295  528.870    81.976   606.495    146.607  493.560    98.878   68.106  9.0992  62.432  6.6287  5.674335       11.25763 
1 1 1 -6  -35 51 o 43.409  6.2587  240.194    64.017   358.192    110.384  180.395    78.581   52.012  9.0768  36.709  8.9118  15.30307       12.72044 
1 1 1 -6  -35 52 o 32.361  5.8253  134.458    44.059   134.747    77.287   134.319    53.627   31.753  9.3809  31.999  7.0931  -0.2457066     11.76066 
1 1 1 -6  -35 53 o 11.181  5.1934  -28.5205   33.885   -67.9719   59.569   -9.6493    41.199   13.837  6.5683  14.047  6.1943  -0.2098274     9.028378 
1 1 1 -6  -35 54 o 43.786  4.8583  240.820    50.746   290.129    85.592   214.092    63.017   46.979  7.7810  40.668  6.6134  6.311222       10.21179 
1 1 1 -6  -35 55 o 30.664  6.1882  122.602    44.455   99.087     81.503   132.561    53.039   28.009  9.7645  31.642  7.0847  -3.633018      12.06394 
1 1 1 -6  -35 56 o 32.902  5.6460  139.541    43.450   193.525    83.804   119.694    50.814   37.445  9.2725  29.995  7.0932  7.449785       11.67451 
1 1 1 -6  -35 57 o 18.970  7.0331  38.042     43.039   -12.3591   80.343   58.327     50.970   19.426  8.6038  22.038  7.7196  -2.611839      11.55935 
1 1 1 -6  -35 58 o 58.542  4.8108  430.609    67.730   257.810    123.919  504.222    80.881   41.791  11.737  63.138  5.3293  -21.34653      12.89028 
1 1 1 -6  -35 59 f 16.642  6.9474  11.522     46.760   -33.5840   90.463   27.967     54.624   19.449  8.8283  19.157  7.6937  0.2916756      11.71036 
1 1 1 -6  -35 60 o 19.608  7.9762  26.770     59.543   40.523     106.057  20.440     71.954   24.912  10.437  20.486  8.5901  4.426315       13.51720 
1 1 1 -6  -35 61 o 38.168  8.3477  198.653    75.156   238.382    131.103  179.206    91.724   39.939  12.310  35.546  10.138  4.393387       15.94711 
1 1 1 -6  -35 62 o 40.138  11.478  236.463    117.407  236.463    117.407  0.0000     0.0000   40.138  11.478  ?       ?       0.000000       11.47791 
1 1 1 -6  -35 63 o 33.542  11.404  159.018    110.936  159.018    110.936  0.0000     0.0000   33.542  11.404  ?       ?       0.000000       11.40394 
1 1 1 -6  -35 64 o 28.713  10.005  109.781    85.563   426.686    225.465  56.463     92.481   49.288  16.250  24.784  9.9907  24.50342       19.07567 
1 1 1 -6  -35 65 f 65.880  7.4495  575.971    116.990  739.682    271.404  538.609    129.654  63.774  17.162  62.698  8.7619  1.075535       19.26900 
1 1 1 -6  -34 1  o 82.003  4.0423  821.126    80.430   844.683    115.699  799.095    111.888  82.693  5.8030  80.428  5.7718  2.265732       8.184690 
1 1 1 -6  -34 2  o 156.317 4.4702  2986.15    169.550  2959.79    244.814  3010.44    235.044  154.997 6.5095  156.431 6.1925  -1.434067      8.984461 
1 1 1 -6  -34 3  f 125.990 4.1338  1936.83    126.371  1841.49    182.809  2024.08    174.885  122.269 6.1820  128.488 5.6095  -6.219337      8.347701 
1 1 1 -6  -34 4  o 89.164  5.7970  978.503    124.735  978.503    124.735  0.0000     0.0000   89.164  5.7970  ?       ?       0.000000       5.796986 
1 1 1 -6  -34 5  o 112.315 5.8536  1549.39    158.972  1549.39    158.972  0.0000     0.0000   112.315 5.8536  ?       ?       0.000000       5.853589 
1 1 1 -6  -34 6  o 55.498  4.3828  377.858    58.539   343.840    84.425   409.358    81.240   52.501  6.7862  57.532  5.9033  -5.031017      8.994534 
1 1 1 -6  -34 7  o 97.576  3.8408  1159.26    90.934   1194.93    134.540  1129.26    123.382  98.705  5.6410  96.004  5.3174  2.700729       7.752127 
1 1 1 -6  -34 8  o 145.240 4.2236  2569.55    148.843  2783.78    216.454  2377.39    205.004  150.882 5.9124  139.406 6.0606  11.47543       8.466849 
1 1 1 -6  -34 9  o 41.721  4.4587  214.455    44.438   147.696    68.975   261.829    58.104   33.976  8.4115  46.020  5.3003  -12.04465      9.942203 
1 1 1 -6  -34 10 o 91.689  3.8109  1022.90    84.784   1137.20    125.640  927.323    114.885  96.388  5.3937  86.998  5.4703  9.389709       7.682194 
1 1 1 -6  -34 11 o 139.501 4.1516  2368.75    140.527  2590.94    203.674  2166.88    194.138  145.675 5.7622  133.185 6.0075  12.49028       8.324224 
1 1 1 -6  -34 12 o 81.045  3.8463  799.039    75.637   747.747    109.357  846.080    104.726  78.052  5.8160  83.141  5.2178  -5.088234      7.813510 
1 1 1 -6  -34 13 o 143.759 4.2079  2515.21    146.780  2479.46    211.456  2548.45    203.905  142.485 6.1163  144.499 5.8157  -2.014435      8.439825 
1 1 1 -6  -34 14 o 33.043  8.5474  139.144    69.047   0.0000     0.0000   139.144    69.047   ?       ?       33.043  8.5474  0.000000       8.547393 
1 1 1 -6  -34 15 o 46.525  7.4566  271.538    81.334   0.0000     0.0000   271.538    81.334   ?       ?       46.525  7.4566  0.000000       7.456575 
1 1 1 -6  -34 16 o 84.493  5.3912  873.787    109.952  0.0000     0.0000   873.787    109.952  ?       ?       84.493  5.3912  0.000000       5.391234 
1 1 1 -6  -34 17 o 34.230  5.8624  146.923    46.939   122.565    75.331   162.383    60.014   31.326  9.2634  35.813  7.1568  -4.486847      11.70594 
1 1 1 -6  -34 18 o 194.344 4.7846  4599.30    225.620  4452.77    320.385  4743.46    317.782  190.838 6.9190  197.027 6.6472  -6.189590      9.594689 
1 1 1 -6  -34 19 o 75.298  3.6508  689.350    66.702   716.824    95.025   662.665    93.652   76.532  5.1471  73.553  5.2827  2.979179       7.375560 
1 1 1 -6  -34 20 o 11.957  5.3756  -16.1675   32.611   47.843     37.463   -216.4112  66.261   20.209  6.6221  10.721  5.4082  9.488231       8.549901 
1 1 1 -6  -34 21 o 82.160  5.2201  825.830    103.525  721.277    136.631  966.768    158.634  76.408  7.4650  88.566  7.4510  -12.15848      10.54725 
1 1 1 -6  -34 22 o 194.068 6.7060  4602.58    315.779  4380.48    435.466  4848.89    458.589  188.395 9.5575  198.464 9.5231  -10.06949      13.49207 
1 1 1 -6  -34 23 o 31.683  7.2885  127.702    54.864   128.879    67.810   125.471    93.357   31.865  8.5796  32.314  10.445  -0.4498119     13.51704 
1 1 1 -6  -34 24 o 81.800  5.2558  818.809    103.764  752.390    137.219  907.513    158.577  78.069  7.3297  85.732  7.7054  -7.662910      10.63473 
1 1 1 -6  -34 25 o 47.733  6.0163  282.426    68.133   318.815    89.326   231.805    105.355  50.487  7.5215  42.499  10.320  7.987213       12.76995 
1 1 1 -6  -34 26 o 40.950  6.3853  209.648    61.376   222.126    78.494   190.016    98.455   41.877  8.0170  38.558  10.320  3.319069       13.06781 
1 1 1 -6  -34 27 o 139.300 4.0592  2361.01    137.200  2319.05    194.590  2402.49    193.474  137.845 5.8179  140.322 5.6824  -2.477036      8.132480 
1 1 1 -6  -34 28 o 81.655  3.6708  810.900    72.729   815.335    103.731  806.611    102.001  81.605  5.2669  81.174  5.2062  0.4311066      7.405683 
1 1 1 -6  -34 29 o 137.237 4.0617  2292.11    135.251  2247.31    191.979  2336.25    190.575  135.665 5.8321  138.346 5.6772  -2.681793      8.139032 
1 1 1 -6  -34 30 o 96.034  3.7219  1121.97    86.728   1039.52    123.615  1201.89    121.711  92.118  5.5565  99.151  5.0761  -7.032516      7.525994 
1 1 1 -6  -34 31 o 50.309  4.1587  310.258    50.310   293.230    72.992   325.669    69.440   48.556  6.3473  51.332  5.6698  -2.775360      8.510874 
1 1 1 -6  -34 32 o 141.217 4.1122  2428.59    140.905  2437.08    200.682  2420.34    197.888  141.189 5.8579  140.715 5.7958  0.4745483      8.240570 
1 1 1 -6  -34 33 o 93.346  3.7846  1060.77    85.720   1015.61    122.503  1104.10    119.989  90.987  5.5757  94.944  5.2286  -3.956581      7.643768 
1 1 1 -6  -34 34 o 55.969  4.0370  383.602    54.456   345.259    77.779   420.470    76.267   52.733  6.1969  58.399  5.4451  -5.665710      8.249297 
1 1 1 -6  -34 35 o 105.571 3.5805  1356.99    91.718   1443.28    139.505  1291.31    121.722  108.645 5.2920  102.826 4.8787  5.819023       7.197669 
1 1 1 -6  -34 36 o 90.615  3.5019  999.899    76.997   1064.34    118.632  952.991    101.211  93.126  5.2717  88.202  4.7467  4.923782       7.093802 
1 1 1 -6  -34 37 o 117.830 3.6736  1691.94    105.030  1998.97    159.287  1455.76    139.703  127.805 5.1365  109.040 5.2803  18.76578       7.366476 
1 1 1 -6  -34 38 o 145.814 4.0460  2594.67    143.149  2685.96    214.410  2521.25    192.279  147.846 5.9768  143.373 5.5271  4.473221       8.140726 
1 1 1 -6  -34 39 o 77.120  3.5267  725.057    65.992   735.562    104.213  718.024    85.267   77.198  5.6017  76.478  4.6166  0.7202606      7.258953 
1 1 1 -6  -34 40 o 93.989  3.6026  1077.62    82.160   1073.95    127.944  1080.20    107.178  93.285  5.6796  93.801  4.7242  -0.5163727     7.387553 
1 1 1 -6  -34 41 o 108.609 3.7065  1440.08    97.679   1405.17    150.501  1465.49    128.395  106.642 5.8385  109.323 4.8403  -2.681580      7.583944 
1 1 1 -6  -34 42 o 50.497  5.8732  318.598    70.618   263.060    115.263  351.972    89.352   44.473  10.791  52.757  7.1655  -8.283779      12.95349 
1 1 1 -6  -34 43 o 78.250  5.3995  757.608    101.890  761.045    160.356  755.282    131.951  77.253  8.7066  77.589  7.0871  -0.3365326     11.22637 
1 1 1 -6  -34 44 o 22.683  8.2510  54.491     58.793   0.0000     0.0000   54.491     58.793   ?       ?       22.683  8.2510  0.000000       8.251040 
1 1 1 -6  -34 45 o 21.618  6.0358  59.587     32.872   71.827     60.738   54.516     39.092   24.675  8.4380  21.108  6.7524  3.566853       10.80713 
1 1 1 -6  -34 46 f 23.947  6.1463  73.833     35.893   -22.0807   67.474   111.685    42.387   17.574  7.8286  29.487  6.1245  -11.91365      9.939643 
1 1 1 -6  -34 47 o 22.702  6.2462  66.061     35.486   109.705    65.074   47.590     42.335   29.118  8.6094  20.379  7.0412  8.739151       11.12208 
1 1 1 -6  -34 48 o 41.859  4.4738  217.674    44.736   240.485    78.050   206.514    54.593   43.108  7.7468  40.459  5.7206  2.648994       9.630049 
1 1 1 -6  -34 49 o 44.884  4.4518  250.000    47.843   249.430    82.401   250.289    58.763   43.785  8.0528  44.640  5.5446  -0.8546524     9.777017 
1 1 1 -6  -34 50 o 103.439 5.4342  1328.73    135.912  1245.66    220.753  1379.44    172.477  97.932  9.4058  104.711 6.8258  -6.779472      11.62157 
1 1 1 -6  -34 51 o 72.518  5.3809  655.287    94.006   769.077    162.264  597.801    115.333  76.960  8.8506  68.610  7.0270  8.350304       11.30099 
1 1 1 -6  -34 52 o 82.518  5.4470  849.378    108.447  825.708    185.263  861.717    133.759  78.963  9.8862  82.527  6.7386  -3.564621      11.96433 
1 1 1 -6  -34 53 o 54.640  4.2930  370.201    56.458   427.727    97.086   340.807    69.399   57.752  7.0763  52.022  5.5854  5.729958       9.015049 
1 1 1 -6  -34 54 o 23.411  6.8455  70.932     41.344   39.368     74.343   85.065     49.746   22.460  8.9914  25.534  7.5211  -3.073925      11.72234 
1 1 1 -6  -34 55 o 101.882 4.0447  1280.14    99.988   1244.11    165.165  1300.98    125.623  98.681  6.9422  102.237 5.0640  -3.556274      8.592941 
1 1 1 -6  -34 56 o 38.211  5.2800  185.570    47.646   173.233    84.872   191.247    57.574   35.423  9.6242  38.413  6.4024  -2.990917      11.55920 
1 1 1 -6  -34 57 o 22.926  6.7478  68.530     40.056   22.739     75.170   86.688     47.336   21.113  8.8108  25.589  7.2779  -4.476397      11.42795 
1 1 1 -6  -34 58 o 31.983  6.9664  135.840    52.532   11.392     98.166   185.779    62.185   22.663  9.7827  37.485  7.0969  -14.82197      12.08583 
1 1 1 -6  -34 59 o 43.935  5.6513  246.918    58.848   204.793    107.216  265.081    70.401   37.704  11.023  45.131  6.6262  -7.427666      12.86171 
1 1 1 -6  -34 60 f 26.476  8.7379  91.724     65.184   106.749    114.748  84.565     79.204   29.819  11.389  26.357  9.5784  3.462097       14.88175 
1 1 1 -6  -34 61 o 43.956  8.0174  259.118    82.359   352.473    137.545  206.938    102.832  49.084  11.712  38.009  10.698  11.07438       15.86253 
1 1 1 -6  -34 62 o 21.288  9.5016  -17.7993   99.919   -17.7993   99.919   0.0000     0.0000   21.288  9.5016  ?       ?       0.000000       9.501579 
1 1 1 -6  -34 63 o 13.717  6.2868  -28.7004   47.329   12.851     90.864   -44.1713   55.444   21.981  9.4500  14.205  6.6131  7.776722       11.53407 
1 1 1 -6  -34 64 o 34.298  7.4912  158.367    60.597   122.576    116.091  171.771    71.044   30.842  11.528  35.374  8.4018  -4.531933      14.26464 
1 1 1 -6  -34 65 o 42.546  9.4287  254.834    94.779   572.808    224.013  185.503    104.602  58.169  15.565  35.617  10.998  22.55134       19.05898 
1 1 1 -6  -33 1  o 117.642 4.1265  1688.16    117.790  1631.75    170.564  1739.59    162.863  115.127 6.1279  119.142 5.6337  -4.014389      8.324059 
1 1 1 -6  -33 2  o 63.154  4.4602  489.072    67.908   437.044    105.023  526.452    89.021   59.091  7.4932  65.329  5.6722  -6.237949      9.397967 
1 1 1 -6  -33 3  o 64.637  5.9008  515.684    91.525   515.684    91.525   0.0000     0.0000   64.637  5.9008  ?       ?       0.000000       5.900795 
1 1 1 -6  -33 4  o 58.405  6.0060  421.747    83.900   421.747    83.900   0.0000     0.0000   58.405  6.0060  ?       ?       0.000000       6.005988 
1 1 1 -6  -33 5  o 139.186 4.1992  2359.57    141.816  2462.11    205.101  2265.63    196.304  141.896 5.9571  136.119 5.9436  5.777115       8.415038 
1 1 1 -6  -33 6  f 113.352 3.9101  1563.73    107.543  1630.59    158.102  1506.16    146.713  115.554 5.6388  111.083 5.4432  4.471489       7.837424 
1 1 1 -6  -33 7  o 86.349  3.7931  907.100    79.473   952.242    118.152  869.800    107.400  88.162  5.5517  84.284  5.2782  3.877563       7.660336 
1 1 1 -6  -33 8  o 55.310  3.9746  374.118    52.986   382.450    80.884   367.855    70.128   55.634  6.0914  54.664  5.3560  0.9691925      8.111186 
1 1 1 -6  -33 9  o 78.381  3.7520  747.158    71.357   781.244    106.139  719.045    96.392   79.850  5.5119  76.631  5.2151  3.219040       7.588072 
1 1 1 -6  -33 10 o 36.301  4.7124  163.127    40.528   168.563    63.056   159.300    52.902   36.467  7.3796  35.591  6.3594  0.8764877      9.741699 
1 1 1 -6  -33 11 o 142.773 4.1722  2479.90    144.537  2591.95    208.698  2376.61    200.368  145.760 5.9008  139.572 5.9165  6.188141       8.356132 
1 1 1 -6  -33 12 o 88.069  3.7751  943.064    80.670   1086.99    119.746  823.469    109.156  94.309  5.2538  82.010  5.5176  12.29869       7.618840 
1 1 1 -6  -33 13 o 74.327  4.0471  673.878    72.713   683.839    121.835  668.367    90.622   74.511  6.8143  73.906  5.0844  0.6053314      8.502162 
1 1 1 -6  -33 14 f 124.638 7.5508  1907.42    227.275  0.0000     0.0000   1907.42    227.275  ?       ?       124.638 7.5508  0.000000       7.550764 
1 1 1 -6  -33 15 o 82.894  5.1352  840.026    102.778  0.0000     0.0000   840.026    102.778  ?       ?       82.894  5.1352  0.000000       5.135240 
1 1 1 -6  -33 16 o 170.241 4.4786  3526.28    184.998  3682.80    265.226  3377.99    258.169  173.734 6.2917  166.373 6.3953  7.360703       8.971338 
1 1 1 -6  -33 17 o 194.618 4.8064  4610.35    226.971  4474.28    321.646  4745.32    320.330  191.385 6.9264  197.141 6.6966  -5.755432      9.634302 
1 1 1 -6  -33 18 o 157.393 4.2601  3013.20    162.694  2999.60    231.155  3026.54    229.027  156.829 6.0745  157.543 5.9913  -0.7139435     8.532037 
1 1 1 -6  -33 19 o 274.368 6.0255  9179.76    401.138  9149.04    568.492  9210.22    566.103  273.192 8.5762  274.125 8.5111  -0.9333801     12.08257 
1 1 1 -6  -33 20 o 267.479 5.8742  8722.36    381.247  8530.90    540.220  8912.32    538.115  263.846 8.4383  269.748 8.2215  -5.902161      11.78131 
1 1 1 -6  -33 21 o 153.830 4.1864  2878.05    156.261  2844.87    221.475  2910.94    220.502  152.745 5.9758  154.520 5.8812  -1.775726      8.384395 
1 1 1 -6  -33 22 f 196.536 4.8021  4701.59    229.002  4474.93    324.500  4926.45    323.218  191.389 6.9877  200.882 6.6312  -9.492752      9.633273 
1 1 1 -6  -33 23 o 168.344 6.1955  3457.19    253.071  3306.05    346.698  3629.57    370.254  163.952 8.7467  171.763 8.9146  -7.811508      12.48898 
1 1 1 -6  -33 24 o 80.982  5.2164  802.050    101.955  744.173    134.096  881.347    156.960  77.703  7.1940  84.520  7.7395  -6.817665      10.56663 
1 1 1 -6  -33 25 o 131.297 5.5633  2101.01    177.236  1930.66    241.013  2301.61    261.544  125.317 7.9676  136.883 7.9083  -11.56603      11.22605 
1 1 1 -6  -33 26 o 80.556  5.3229  794.044    103.456  915.933    137.358  634.249    157.273  86.358  6.6053  71.259  9.3193  15.09917       11.42272 
1 1 1 -6  -33 27 o 79.113  5.2819  765.950    100.810  680.975    132.836  881.359    154.807  74.235  7.4764  84.520  7.6309  -10.28458      10.68300 
1 1 1 -6  -33 28 o 145.296 5.8544  2575.12    206.397  2645.93    283.027  2494.70    301.640  146.730 7.9796  142.269 8.7809  4.461121       11.86502 
1 1 1 -6  -33 29 o 23.766  6.2331  71.472     36.389   141.585    52.527   6.7730     50.459   33.454  6.7047  17.268  7.2137  16.18529       9.848314 
1 1 1 -6  -33 30 o 79.769  3.7059  773.786    71.728   863.949    103.049  689.046    99.901   84.051  5.0767  74.966  5.5312  9.084869       7.507805 
1 1 1 -6  -33 31 f 54.146  3.9992  358.636    52.170   366.062    74.830   351.613    72.772   54.471  5.7485  53.380  5.7069  1.090698       8.100277 
1 1 1 -6  -33 32 o 84.712  3.7180  872.895    76.421   890.765    109.323  855.818    106.869  85.296  5.3086  83.601  5.2957  1.694847       7.498372 
1 1 1 -6  -33 33 o 119.051 3.9148  1724.86    113.085  1697.44    160.883  1751.64    158.985  117.905 5.6236  119.794 5.4696  -1.888527      7.844844 
1 1 1 -6  -33 34 o 131.428 3.8355  2102.41    122.313  2191.03    182.698  2030.44    164.658  133.920 5.6224  128.974 5.2616  4.945663       7.700409 
1 1 1 -6  -33 35 o 61.273  3.5157  458.332    52.051   577.098    83.248   382.101    66.695   68.579  5.0381  55.736  4.9843  12.84316       7.086974 
1 1 1 -6  -33 36 o 59.765  3.5786  436.335    51.656   456.754    82.314   423.070    66.346   60.851  5.6390  58.698  4.6976  2.153118       7.339381 
1 1 1 -6  -33 37 o 57.404  3.6612  402.929    50.730   432.517    82.590   385.003    64.287   59.142  5.8312  55.950  4.7813  3.192429       7.540831 
1 1 1 -6  -33 38 o 110.454 3.7358  1486.61    100.122  1333.52    152.598  1602.33    132.672  104.069 6.0695  114.514 4.7748  -10.44495      7.722568 
1 1 1 -6  -33 39 o 94.985  3.5920  1099.45    82.786   1122.10    128.014  1083.16    108.537  95.511  5.5477  94.002  4.7743  1.508820       7.319217 
1 1 1 -6  -33 40 o 96.772  3.5973  1141.69    84.468   1156.77    131.220  1131.02    110.378  96.918  5.6039  96.149  4.7313  0.7695084      7.334028 
1 1 1 -6  -33 41 o 92.615  3.5915  1046.15    80.708   1126.93    126.382  990.521    104.880  95.642  5.4686  89.802  4.8311  5.840607       7.296900 
1 1 1 -6  -33 42 o 65.466  3.5874  524.478    56.768   626.760    91.893   461.352    72.191   71.229  5.3561  61.149  4.9069  10.07978       7.263996 
1 1 1 -6  -33 43 o 88.927  5.3828  976.128    115.598  1034.09    179.814  935.297    150.917  90.507  8.2797  86.434  7.2633  4.073082       11.01406 
1 1 1 -6  -33 44 o 63.119  5.5559  494.591    84.222   544.369    135.347  463.136    107.591  65.194  8.7793  60.502  7.4890  4.692738       11.53948 
1 1 1 -6  -33 45 o 68.792  5.4350  586.797    89.980   661.807    146.214  541.074    114.157  72.003  8.5352  65.467  7.3113  6.536240       11.23856 
1 1 1 -6  -33 46 o 29.844  5.2708  112.871    36.772   99.223     67.211   118.702    43.930   28.045  8.8415  30.431  6.1610  -2.385569      10.77633 
1 1 1 -6  -33 47 o 56.841  3.8936  397.287    53.377   478.176    89.138   352.067    66.647   61.849  6.0159  53.197  5.2309  8.651741       7.972032 
1 1 1 -6  -33 48 o 70.308  3.7991  606.703    64.570   655.495    107.362  579.054    80.820   72.425  6.1681  68.419  4.9008  4.006035       7.878008 
1 1 1 -6  -33 49 o 88.422  3.8692  957.560    83.013   974.046    133.113  947.067    106.193  88.309  6.2527  87.519  5.0217  0.7907028      8.019614 
1 1 1 -6  -33 50 o 35.423  6.5069  161.055    53.867   39.767     77.718   273.191    74.728   23.083  9.2096  46.280  6.8626  -23.19649      11.48531 
1 1 1 -6  -33 51 f 38.088  7.3812  188.347    65.751   172.314    113.714  196.399    80.589   36.021  11.516  38.486  8.8189  -2.465176      14.50466 
1 1 1 -6  -33 52 o 88.518  5.5024  975.856    117.595  889.104    199.733  1021.88    145.483  81.911  10.276  90.031  6.7078  -8.119820      12.27120 
1 1 1 -6  -33 53 o 24.878  6.7968  80.467     42.192   140.259    72.721   50.128     51.802   32.419  8.9506  21.412  7.7516  11.00703       11.84066 
1 1 1 -6  -33 54 o 70.600  4.0027  615.148    68.286   656.202    117.553  594.240    83.891   71.795  6.8303  69.043  5.0425  2.752304       8.489973 
1 1 1 -6  -33 55 o 18.640  6.5796  39.236     37.076   91.771     73.308   21.180     42.978   27.098  9.2700  17.182  6.8507  9.915764       11.52673 
1 1 1 -6  -33 56 o 53.160  4.4335  351.986    56.665   380.917    101.545  338.903    68.286   53.826  8.0199  51.789  5.5192  2.036510       9.735538 
1 1 1 -6  -33 57 o 65.548  4.2077  533.377    66.569   505.020    117.191  546.885    80.886   62.005  7.9743  66.035  5.0874  -4.030296      9.458876 
1 1 1 -6  -33 58 o 33.762  6.7434  149.980    53.309   270.911    99.591   101.415    63.112   44.304  9.5460  27.612  8.5457  16.69215       12.81230 
1 1 1 -6  -33 59 o 29.981  7.2027  120.019    51.742   180.892    97.075   95.862     61.153   35.780  10.497  26.897  8.4265  8.883345       13.46098 
1 1 1 -6  -33 60 o 78.324  4.7201  766.734    89.286   996.691    158.463  659.770    108.074  87.438  7.5428  71.835  6.2631  15.60293       9.804077 
1 1 1 -6  -33 61 o 24.515  10.395  29.527     107.290  29.527     107.290  0.0000     0.0000   24.515  10.395  ?       ?       0.000000       10.39535 
1 1 1 -6  -33 62 o 17.489  8.2739  -90.0688   92.988   -90.0688   92.988   0.0000     0.0000   17.489  8.2739  ?       ?       0.000000       8.273902 
1 1 1 -6  -33 63 o 27.611  7.8126  102.272    54.692   160.723    107.275  81.743     63.576   33.893  11.211  25.370  8.6330  8.523016       14.14947 
1 1 1 -6  -33 64 f 14.334  6.4667  -20.0274   47.666   8.6357     94.371   -29.8443   55.229   22.082  9.5617  14.962  6.8325  7.120046       11.75195 
1 1 1 -6  -33 65 o 40.593  9.5804  232.203    92.843   317.234    253.448  219.025    99.779   43.209  16.814  39.005  10.366  4.203831       19.75258 
1 1 1 -6  -32 1  f 167.418 6.5800  3437.75    267.296  3684.33    416.246  3264.72    348.690  171.821 10.028  162.196 8.8939  9.624634       13.40361 
1 1 1 -6  -32 2  o 128.228 10.019  2052.30    309.245  2052.30    309.245  0.0000     0.0000   128.228 10.019  ?       ?       0.000000       10.01886 
1 1 1 -6  -32 3  o 78.619  10.895  781.872    202.256  781.872    202.256  0.0000     0.0000   78.619  10.895  ?       ?       0.000000       10.89546 
1 1 1 -6  -32 4  o 152.683 6.4382  2850.72    238.518  2581.20    372.386  3038.21    310.592  143.905 10.742  157.040 8.1794  -13.13504      13.50180 
1 1 1 -6  -32 5  o 44.089  7.2374  244.093    74.737   524.622    165.331  172.046    83.786   64.222  11.006  36.678  9.3781  27.54431       14.45943 
1 1 1 -6  -32 6  o 182.934 6.6561  4090.11    295.448  4793.14    452.412  3567.33    390.125  197.295 9.4505  169.942 9.4991  27.35243       13.39940 
1 1 1 -6  -32 7  o 188.403 6.7938  4338.02    310.575  4786.37    470.574  3992.01    413.399  197.112 9.8390  179.866 9.5061  17.24629       13.68107 
1 1 1 -6  -32 8  o 281.775 7.2042  9708.59    492.553  10726.23   880.639  9245.32    594.185  293.950 12.347  274.395 8.9244  19.55518       15.23461 
1 1 1 -6  -32 9  o 103.158 4.6011  1295.05    115.166  1442.98    238.455  1250.04    131.522  108.017 9.1853  101.151 5.3781  6.866112       10.64392 
1 1 1 -6  -32 10 o 67.315  3.8314  552.662    62.320   642.149    94.056   482.631    83.206   72.405  5.3923  62.696  5.5260  9.709034       7.721027 
1 1 1 -6  -32 11 o 289.920 6.3026  10253.60   443.363  10872.95   630.442  9647.56    623.635  297.801 8.7248  280.366 9.1673  17.43491       12.65546 
1 1 1 -6  -32 12 o 228.003 6.0641  6338.40    335.481  6617.43    572.232  6192.26    414.114  231.926 10.169  225.044 7.5838  6.881836       12.68516 
1 1 1 -6  -32 13 o 120.835 5.4276  1778.38    159.136  0.0000     0.0000   1778.38    159.136  ?       ?       120.835 5.4276  0.000000       5.427649 
1 1 1 -6  -32 14 o 125.112 5.4461  1906.44    165.329  0.0000     0.0000   1906.44    165.329  ?       ?       125.112 5.4461  0.000000       5.446108 
1 1 1 -6  -32 15 o 277.173 6.0736  9365.19    408.472  9754.85    580.297  8982.52    575.071  282.243 8.4735  270.755 8.7535  11.48773       12.18294 
1 1 1 -6  -32 16 o 117.971 3.8127  1691.61    109.137  1668.41    155.827  1713.95    152.901  117.042 5.4870  118.643 5.3113  -1.600952      7.636618 
1 1 1 -6  -32 17 o 73.963  3.5468  664.758    63.653   635.972    90.061   693.490    89.976   72.094  5.1830  75.326  4.9505  -3.232262      7.167336 
1 1 1 -6  -32 18 o 250.210 5.6302  7626.05    341.814  7545.01    484.610  7706.29    482.194  248.356 8.0418  251.028 7.9166  -2.672226      11.28462 
1 1 1 -6  -32 19 o 45.477  3.8710  253.199    42.308   269.572    60.087   237.101    59.581   46.744  5.3969  43.744  5.7529  2.999744       7.888131 
1 1 1 -6  -32 20 o 265.391 5.9131  8583.07    380.774  8330.45    539.276  8834.23    537.720  260.833 8.5209  268.682 8.2481  -7.848877      11.85902 
1 1 1 -6  -32 21 o 77.998  3.5980  739.306    68.095   773.744    96.280   704.840    96.320   79.576  5.0120  75.907  5.2621  3.669388       7.267084 
1 1 1 -6  -32 22 o 122.865 3.8736  1834.96    115.479  1760.45    164.420  1907.49    162.226  120.215 5.6368  125.161 5.3418  -4.945984      7.765827 
1 1 1 -6  -32 23 f 277.614 6.0846  9394.95    409.862  9256.32    580.620  9532.65    578.650  274.872 8.7056  278.994 8.5479  -4.121490      12.20051 
1 1 1 -6  -32 24 o 133.515 3.9664  2167.14    128.497  2175.26    182.337  2159.11    181.114  133.627 5.6237  133.131 5.6067  0.4953003      7.941066 
1 1 1 -6  -32 25 o 131.823 5.5775  2116.92    178.401  1970.92    242.493  2289.17    263.396  126.690 7.9284  136.561 7.9839  -9.870827      11.25175 
1 1 1 -6  -32 26 o 247.601 7.8690  7499.69    472.753  7125.30    659.026  7896.60    678.548  240.288 11.303  253.054 11.051  -12.76572      15.80795 
1 1 1 -6  -32 27 o 298.541 9.1427  10937.04   662.279  10923.00   927.303  10951.66   946.191  296.696 12.881  296.955 13.132  -0.2589417     18.39460 
1 1 1 -6  -32 28 o 75.957  5.3546  706.235    98.055   702.703    132.096  710.570    146.335  75.478  7.3042  75.765  8.0849  -0.2866058     10.89573 
1 1 1 -6  -32 29 o 103.595 5.3841  1310.97    134.871  1243.11    181.703  1394.24    201.267  100.542 7.5022  106.445 7.8480  -5.902756      10.85694 
1 1 1 -6  -32 30 o 283.138 6.1865  9781.86    425.014  9460.45    602.456  10100.32   599.675  277.582 8.9448  286.940 8.6131  -9.357880      12.41754 
1 1 1 -6  -32 31 o 186.081 4.6634  4215.21    210.555  4319.21    299.229  4113.22    296.333  188.049 6.5580  183.492 6.6558  4.557358       9.343794 
1 1 1 -6  -32 32 o 173.995 4.4955  3685.20    189.795  3663.29    269.930  3706.63    266.916  173.177 6.4239  174.218 6.3142  -1.041290      9.007509 
1 1 1 -6  -32 33 f 48.965  4.7620  294.761    55.861   269.868    73.243   329.374    86.366   46.518  6.6808  51.402  7.1156  -4.883488      9.760349 
1 1 1 -6  -32 34 o 148.485 4.8434  2686.75    174.502  2684.74    218.374  2690.30    290.256  148.242 6.0711  147.776 8.1262  0.4667206      10.14359 
1 1 1 -6  -32 35 o 60.953  3.5514  453.433    52.296   641.659    83.350   331.227    67.160   72.400  4.7714  51.816  5.4220  20.58347       7.222497 
1 1 1 -6  -32 36 o 122.667 3.7416  1831.32    111.364  2012.44    168.507  1690.86    148.390  128.368 5.4100  117.696 5.1961  10.67245       7.501178 
1 1 1 -6  -32 37 o 155.279 4.1369  2937.73    155.868  3177.80    231.755  2739.46    210.619  161.139 5.9274  149.640 5.8007  11.49828       8.293540 
1 1 1 -6  -32 38 o 160.476 4.2742  3140.02    166.427  3048.13    247.087  3216.34    225.165  157.603 6.4613  162.092 5.7250  -4.488541      8.632739 
1 1 1 -6  -32 39 o 117.200 3.8149  1673.82    108.486  1534.43    165.490  1778.86    143.660  111.663 6.1315  120.648 4.9074  -8.984818      7.853523 
1 1 1 -6  -32 40 o 228.622 5.2419  6399.62    290.782  6631.25    424.643  6195.10    399.008  231.585 7.5570  223.957 7.3426  7.627625       10.53675 
1 1 1 -6  -32 41 o 124.183 3.8132  1880.97    114.898  2018.35    175.569  1778.06    151.958  128.232 5.6427  120.463 5.1988  7.769440       7.672554 
1 1 1 -6  -32 42 o 28.818  5.2049  104.892    35.055   5.0674     61.893   152.038    42.535   18.713  7.9131  34.843  5.1894  -16.13008      9.462929 
1 1 1 -6  -32 43 o 130.039 3.9431  2065.55    124.417  2141.67    190.461  2008.89    164.323  131.844 5.9537  127.896 5.2951  3.947845       7.967722 
1 1 1 -6  -32 44 f 146.870 6.0776  2662.75    216.586  2647.60    324.203  2674.96    291.067  144.538 9.2935  145.942 8.2534  -1.404251      12.42931 
1 1 1 -6  -32 45 o 144.209 6.0274  2569.43    210.906  2643.87    317.513  2510.66    282.142  144.368 9.1109  141.213 8.2704  3.155090       12.30479 
1 1 1 -6  -32 46 o 68.749  5.5267  586.357    91.414   646.542    147.031  548.434    116.713  71.110  8.7031  65.888  7.4301  5.221848       11.44339 
1 1 1 -6  -32 47 o 52.855  3.9299  343.688    50.039   432.435    86.826   299.552    61.230   58.775  6.1809  49.052  5.2249  9.722660       8.093390 
1 1 1 -6  -32 48 o 19.425  6.5581  44.043     36.685   195.365    62.844   -34.1780   45.183   39.066  6.8811  13.174  6.0762  25.89215       9.179837 
1 1 1 -6  -32 49 o 39.950  4.9057  199.228    46.555   308.344    77.369   137.297    58.288   49.364  6.6268  32.473  7.5420  16.89091       10.03974 
1 1 1 -6  -32 50 o 58.548  4.9000  424.942    68.970   405.663    97.084   444.587    97.999   56.485  7.2509  59.278  6.9450  -2.792774      10.04039 
1 1 1 -6  -32 51 o 62.270  5.7035  484.326    85.218   449.824    149.051  501.081    103.869  57.833  11.024  62.933  6.9162  -5.099438      13.01400 
1 1 1 -6  -32 52 o 97.230  5.5231  1175.30    129.762  1146.46    218.156  1191.09    161.423  93.703  9.7373  97.240  6.8861  -3.537048      11.92621 
1 1 1 -6  -32 53 f 73.482  5.4183  673.224    95.926   702.980    167.787  658.776    116.918  73.026  9.7101  72.152  6.7571  0.8740005      11.82977 
1 1 1 -6  -32 54 o 39.520  4.9427  196.128    46.359   149.268    85.447   215.676    55.188   33.353  9.8666  41.264  5.6611  -7.911045      11.37531 
1 1 1 -6  -32 55 o 62.405  4.1286  481.683    62.161   534.320    109.728  456.807    75.433   64.574  7.1217  60.428  5.1952  4.146427       8.815212 
1 1 1 -6  -32 56 o 29.688  6.2297  114.729    43.444   36.830     81.362   145.797    51.382   22.925  9.3244  33.457  6.5640  -10.53152      11.40311 
1 1 1 -6  -32 57 o 29.658  6.2946  114.900    43.895   83.041     83.924   126.898    51.502   26.742  9.8381  30.998  7.0115  -4.256042      12.08095 
1 1 1 -6  -32 58 o 77.971  4.5559  756.762    85.818   736.156    149.586  766.872    104.776  74.697  8.3989  78.007  5.5723  -3.310074      10.07929 
1 1 1 -6  -32 59 o 39.723  6.4795  204.964    60.299   180.150    111.626  215.188    71.652   35.706  11.409  40.254  7.6148  -4.547874      13.71680 
1 1 1 -6  -32 60 o 79.213  8.5318  832.239    161.397  832.239    161.397  0.0000     0.0000   79.213  8.5318  ?       ?       0.000000       8.531802 
1 1 1 -6  -32 61 o 35.482  12.354  176.048    130.441  176.048    130.441  0.0000     0.0000   35.482  12.354  ?       ?       0.000000       12.35393 
1 1 1 -6  -32 62 o 26.589  9.0846  89.983     70.403   -26.4612   121.835  148.359    86.264   23.127  10.395  32.795  9.9623  -9.668142      14.39782 
1 1 1 -6  -32 63 o 54.823  5.3389  379.838    70.119   460.016    129.385  346.498    83.434   58.087  9.5091  51.698  6.8176  6.389156       11.70056 
1 1 1 -6  -32 64 o 14.868  6.6143  -13.3424   47.991   -60.5067   98.212   1.4523     55.006   19.219  8.8972  17.037  7.3387  2.181787       11.53331 
1 1 1 -6  -32 65 o 56.996  8.3468  436.112    112.010  247.703    284.232  470.752    121.873  40.908  17.108  58.954  8.7884  -18.04564      19.23295 
1 1 1 -6  -31 1  o 91.799  10.680  1058.64    233.449  1058.64    233.449  0.0000     0.0000   91.799  10.680  ?       ?       0.000000       10.68030 
1 1 1 -6  -31 2  o 113.829 9.9255  1611.54    271.396  1611.54    271.396  0.0000     0.0000   113.829 9.9255  ?       ?       0.000000       9.925504 
1 1 1 -6  -31 3  o 97.415  5.9365  1162.32    139.651  1193.75    234.937  1145.15    173.661  97.884  10.034  96.420  7.4814  1.464348       12.51575 
1 1 1 -6  -31 4  o 151.382 6.1486  2796.79    225.846  3256.12    357.139  2490.71    291.541  162.527 9.0927  142.234 8.4862  20.29344       12.43757 
1 1 1 -6  -31 5  o 169.071 6.4163  3489.18    263.220  3922.68    405.957  3174.73    345.749  178.403 9.4114  160.581 8.9086  17.82202       12.95903 
1 1 1 -6  -31 6  o 183.433 6.6687  4107.94    296.812  4622.57    450.873  3714.35    394.302  193.936 9.5814  173.644 9.3934  20.29214       13.41790 
1 1 1 -6  -31 7  o 158.014 6.2339  3045.25    239.012  3507.26    369.419  2712.62    313.460  168.850 9.0498  148.507 8.7375  20.34270       12.57948 
1 1 1 -6  -31 8  o 96.278  5.6783  1133.25    132.064  1133.68    222.264  1133.02    164.190  95.597  9.7172  96.063  7.0943  -0.4657974     12.03138 
1 1 1 -6  -31 9  o 70.794  5.7306  614.552    97.592   607.759    178.847  617.432    116.459  69.432  10.981  70.798  6.8656  -1.365936      12.95078 
1 1 1 -6  -31 10 o 238.325 7.7515  6943.05    448.250  7462.11    658.318  6494.39    612.051  246.128 11.023  229.627 10.985  16.50150       15.56224 
1 1 1 -6  -31 11 o 155.420 6.1659  2944.34    232.522  3127.91    355.672  2807.32    307.281  159.470 9.2314  151.229 8.4073  8.241318       12.48604 
1 1 1 -6  -31 12 o 150.975 8.1406  2795.61    297.112  0.0000     0.0000   2795.61    297.112  ?       ?       150.975 8.1406  0.000000       8.140624 
1 1 1 -6  -31 13 o 136.856 7.7594  2296.00    256.606  0.0000     0.0000   2296.00    256.606  ?       ?       136.856 7.7594  0.000000       7.759405 
1 1 1 -6  -31 14 o 128.126 5.7053  1999.38    177.371  2300.53    276.222  1788.08    231.374  136.884 8.3566  120.691 7.9453  16.19283       11.53085 
1 1 1 -6  -31 15 f 157.021 4.2455  2997.64    161.751  2996.70    229.968  2998.55    227.552  156.824 6.0435  156.880 5.9779  -0.5584717E-01 8.500547 
1 1 1 -6  -31 16 o 22.376  5.6602  63.335     30.753   72.032     44.378   55.300     42.655   24.111  7.1043  21.688  7.0641  2.422585       10.01862 
1 1 1 -6  -31 17 o 141.717 4.0221  2441.23    138.307  2473.67    196.686  2409.49    194.524  142.521 5.6876  140.658 5.6996  1.862320       8.051995 
1 1 1 -6  -31 18 o 12.279  5.0717  4.9021     24.540   -0.1563    34.737   9.9421     34.674   13.869  5.8992  14.918  6.0796  -1.049453      8.471243 
1 1 1 -6  -31 19 o 11.775  4.8865  3.8279     22.938   -12.7944   31.444   22.734     33.535   11.989  5.3423  16.273  6.1711  -4.284145      8.162280 
1 1 1 -6  -31 20 o 143.353 4.0420  2497.92    140.592  2346.37    199.742  2646.73    197.926  138.782 5.9316  147.437 5.5326  -8.655014      8.111323 
1 1 1 -6  -31 21 f 27.955  5.1080  98.069     33.371   103.149    48.174   93.383     46.270   28.514  7.0118  27.156  6.9830  1.358595       9.895826 
1 1 1 -6  -31 22 o 159.630 4.2601  3098.08    165.007  3092.85    233.801  3103.27    232.911  159.322 6.0479  159.594 6.0146  -0.2720337     8.529571 
1 1 1 -6  -31 23 o 124.192 3.8463  1874.51    115.906  1781.25    164.482  1966.49    163.357  120.944 5.6049  127.103 5.2969  -6.158485      7.711789 
1 1 1 -6  -31 24 o 145.715 4.0681  2581.08    143.832  2577.90    204.351  2584.20    202.482  145.477 5.7892  145.661 5.7290  -0.1838684     8.144693 
1 1 1 -6  -31 25 o 147.585 4.1111  2647.94    147.220  2648.63    208.923  2647.26    207.485  147.451 5.8395  147.417 5.8006  0.3414917E-01  8.230839 
1 1 1 -6  -31 26 o 152.631 4.8949  2834.60    181.281  2812.95    220.446  2879.83    318.594  151.937 5.9796  153.139 8.6090  -1.201691      10.48195 
1 1 1 -6  -31 27 o 236.526 7.6399  6836.63    438.460  6699.11    611.793  6981.86    628.704  233.292 10.808  238.141 10.880  -4.849426      15.33607 
1 1 1 -6  -31 28 o 58.766  5.6519  424.513    79.597   359.023    106.599  507.038    119.663  53.514  8.4933  63.924  7.8819  -10.40985      11.58713 
1 1 1 -6  -31 29 o 90.518  5.3391  1001.17    116.746  988.585    158.749  1016.00    172.287  89.657  7.3624  90.808  7.8979  -1.151100      10.79729 
1 1 1 -6  -31 30 o 142.361 5.8313  2470.02    201.428  2473.83    276.986  2465.75    293.453  141.949 8.0753  141.609 8.5810  0.3401642      11.78320 
1 1 1 -6  -31 31 o 181.258 6.5460  4009.86    287.897  3867.57    399.480  4163.62    415.276  177.234 9.3221  183.905 9.3370  -6.671494      13.19396 
1 1 1 -6  -31 32 o 169.056 4.4243  3477.28    181.486  3566.47    258.096  3390.06    255.247  170.971 6.2215  166.675 6.3114  4.295609       8.862347 
1 1 1 -6  -31 33 o 147.675 4.0449  2652.46    144.939  2624.17    214.609  2676.19    196.530  146.658 6.0308  148.179 5.4661  -1.520660      8.139370 
1 1 1 -6  -31 34 o 94.842  3.5365  1093.53    81.383   1191.71    124.839  1020.98    107.323  98.750  5.2288  91.430  4.8551  7.319832       7.135262 
1 1 1 -6  -31 35 o 107.569 3.6456  1407.16    95.153   1303.03    144.312  1487.25    126.562  103.167 5.7884  110.499 4.7204  -7.332375      7.469096 
1 1 1 -6  -31 36 o 89.530  3.5430  974.870    76.968   950.077    118.770  992.820    101.060  88.049  5.5882  90.154  4.6355  -2.105042      7.260624 
1 1 1 -6  -31 37 o 93.217  3.5117  1057.04    79.429   1224.61    122.951  937.017    104.057  100.061 5.0808  87.516  4.9202  12.54462       7.072688 
1 1 1 -6  -31 38 o 130.300 3.7908  2066.94    119.850  2402.48    180.659  1803.19    160.171  140.245 5.3089  121.481 5.4339  18.76391       7.596862 
1 1 1 -6  -31 39 o 75.245  3.5076  689.166    64.040   697.986    101.256  683.286    82.676   75.334  5.5791  74.698  4.5836  0.6357651      7.220528 
1 1 1 -6  -31 40 o 181.505 4.5258  4021.28    199.317  4242.78    295.106  3835.48    270.281  185.820 6.5452  176.758 6.3019  9.062698       9.085889 
1 1 1 -6  -31 41 o 162.760 4.8057  3238.48    189.788  3755.43    351.234  3025.30    225.550  173.955 8.3214  157.004 5.9207  16.95128       10.21272 
1 1 1 -6  -31 42 o 100.702 3.6905  1236.43    90.175   1192.77    140.710  1266.86    117.468  98.353  5.9239  101.767 4.7572  -3.413582      7.597548 
1 1 1 -6  -31 43 o 82.548  3.6303  831.066    72.712   786.898    115.066  860.428    93.818   79.749  5.9902  83.730  4.6359  -3.980789      7.574611 
1 1 1 -6  -31 44 o 47.784  5.9335  285.369    67.314   281.829    108.130  287.608    86.015   46.405  9.9047  47.511  7.7268  -1.105370      12.56215 
1 1 1 -6  -31 45 o 93.654  5.4533  1082.51    123.385  1022.10    191.073  1125.72    161.595  89.740  8.8921  94.973  7.0629  -5.233101      11.35577 
1 1 1 -6  -31 46 o 88.228  5.4543  961.989    116.192  909.554    181.553  998.364    151.215  84.467  8.9968  89.355  7.0313  -4.888573      11.41850 
1 1 1 -6  -31 47 o 72.420  3.7990  642.857    66.523   683.358    108.263  618.291    84.318   74.097  6.0751  70.767  4.9416  3.330002       7.831070 
1 1 1 -6  -31 48 o 40.058  4.7696  199.778    45.448   180.335    74.363   211.371    57.419   37.140  8.4431  40.942  5.9545  -3.801807      10.33160 
1 1 1 -6  -31 49 o 23.936  6.5354  73.499     39.023   76.305     66.905   72.051     48.042   25.567  8.8507  24.004  7.4604  1.563259       11.57547 
1 1 1 -6  -31 50 o 119.993 4.1085  1764.32    119.620  1590.63    186.493  1885.72    155.919  112.752 6.8491  123.685 5.1954  -10.93290      8.596674 
1 1 1 -6  -31 51 o 52.122  4.3992  335.872    55.117   417.544    95.263   294.777    67.575   57.412  6.9823  48.441  5.8690  8.970131       9.121247 
1 1 1 -6  -31 52 o 26.092  7.6938  87.512     52.031   217.304    97.561   35.921     61.509   40.235  10.029  21.053  8.2580  19.18193       12.99121 
1 1 1 -6  -31 53 o 95.243  5.4315  1127.41    125.001  1238.96    216.839  1071.89    152.978  97.719  9.2556  92.196  6.8881  5.522224       11.53743 
1 1 1 -6  -31 54 o 45.324  4.6900  256.082    50.832   259.995    96.212   254.566    59.870   44.111  9.2831  44.933  5.6139  -0.8220940     10.84858 
1 1 1 -6  -31 55 o 12.445  5.6111  -17.0283   35.826   43.505     76.537   -34.0133   40.542   23.088  9.1621  12.223  5.6787  10.86523       10.77917 
1 1 1 -6  -31 56 o 33.469  5.9028  143.968    46.184   118.880    91.165   152.630    53.566   30.417  10.338  34.245  6.6865  -3.828247      12.31186 
1 1 1 -6  -31 57 o 19.169  6.7249  42.114     38.688   -80.2974   85.521   73.610     43.380   17.046  8.0247  23.818  7.0257  -6.771465      10.66568 
1 1 1 -6  -31 58 o 44.814  4.9871  252.811    53.308   365.714    104.246  212.832    62.032   52.445  8.4817  40.547  6.5267  11.89769       10.70215 
1 1 1 -6  -31 59 o 51.463  5.4786  335.180    67.359   474.719    131.929  285.977    78.340   59.169  9.5115  46.830  7.1185  12.33919       11.88029 
1 1 1 -6  -31 60 o 93.026  8.4270  1139.81    188.149  1139.81    188.149  0.0000     0.0000   93.026  8.4270  ?       ?       0.000000       8.427035 
1 1 1 -6  -31 61 o 48.245  13.671  353.740    167.351  353.740    167.351  0.0000     0.0000   48.245  13.671  ?       ?       0.000000       13.67146 
1 1 1 -6  -31 62 o 23.462  8.8885  57.854     69.528   -70.8358   137.447  102.107    80.600   22.899  10.574  28.231  9.7177  -5.331745      14.36130 
1 1 1 -6  -31 63 o 29.857  7.9032  119.747    58.151   59.201     126.382  136.008    65.496   27.760  11.491  31.690  8.3870  -3.929996      14.22624 
1 1 1 -6  -31 64 o 43.584  6.3428  245.447    65.110   271.210    141.348  238.508    73.356   42.681  12.705  42.515  7.3787  0.1663132      14.69201 
1 1 1 -6  -31 65 o 48.666  6.0419  304.264    69.810   220.562    146.677  328.776    79.376   38.533  13.113  50.322  6.6648  -11.78945      14.70943 
1 1 1 -6  -30 1  o 176.234 10.372  3845.75    441.564  3845.75    441.564  0.0000     0.0000   176.234 10.372  ?       ?       0.000000       10.37192 
1 1 1 -6  -30 2  o 133.935 6.0674  2188.33    197.180  2259.62    312.977  2141.40    253.906  135.216 9.6018  131.996 7.9650  3.220032       12.47541 
1 1 1 -6  -30 3  o 178.377 6.6581  3884.38    288.173  4014.06    442.106  3788.57    379.989  180.318 10.146  175.503 8.9530  4.815033       13.53134 
1 1 1 -6  -30 4  f 135.266 5.9494  2230.36    195.266  2499.65    313.637  2059.92    249.524  142.463 9.1211  129.512 7.9792  12.95175       12.11866 
1 1 1 -6  -30 5  o 142.033 5.9985  2458.80    206.726  2720.71    325.715  2282.13    267.513  148.697 9.0710  136.337 8.1235  12.36011       12.17674 
1 1 1 -6  -30 6  o 207.081 7.0762  5235.00    355.551  5957.27    532.260  4653.00    477.789  220.235 9.9603  194.334 10.168  25.90076       14.23362 
1 1 1 -6  -30 7  o 284.320 8.7418  9898.22    603.073  10931.66   878.068  8975.44    829.731  297.517 12.163  269.374 12.695  28.14343       17.58121 
1 1 1 -6  -30 8  o 102.875 5.6014  1292.54    139.294  1594.59    229.643  1116.71    175.205  113.873 8.3699  95.311  7.6402  18.56210       11.33259 
1 1 1 -6  -30 9  o 112.737 5.6136  1547.61    153.558  1804.42    247.840  1387.60    195.633  121.159 8.4840  106.317 7.6344  14.84190       11.41332 
1 1 1 -6  -30 10 o 107.471 5.5826  1410.04    145.077  1748.53    235.609  1203.32    184.122  119.318 8.1876  98.957  7.7296  20.36093       11.25980 
1 1 1 -6  -30 11 o 164.867 8.4989  3333.32    338.829  0.0000     0.0000   3333.32    338.829  ?       ?       164.867 8.4989  0.000000       8.498891 
1 1 1 -6  -30 12 o 65.776  6.8868  533.372    108.285  0.0000     0.0000   533.372    108.285  ?       ?       65.776  6.8868  0.000000       6.886828 
1 1 1 -6  -30 13 o 89.217  5.5183  972.623    118.873  1563.32    196.420  631.237    149.323  112.963 7.2037  71.295  8.8200  41.66846       11.38796 
1 1 1 -6  -30 14 o 96.251  5.2625  1130.74    122.437  1089.46    187.384  1161.50    161.738  94.047  8.2966  97.349  6.8918  -3.302330      10.78564 
1 1 1 -6  -30 15 o 244.478 7.8404  7300.56    465.096  7486.01    673.444  7131.46    643.094  246.682 11.251  240.842 11.005  5.840393       15.73831 
1 1 1 -6  -30 16 o 75.219  5.1627  691.662    93.656   598.448    146.613  755.920    121.729  69.375  8.9161  78.494  6.4483  -9.118851      11.00351 
1 1 1 -6  -30 17 o 153.512 5.9823  2870.28    222.831  2688.78    328.829  3024.41    303.012  147.904 9.2084  157.142 7.9731  -9.238007      12.18053 
1 1 1 -6  -30 18 o 129.120 3.8810  2026.00    121.592  1995.64    172.939  2055.68    170.992  128.037 5.5666  129.960 5.4225  -1.922989      7.771187 
1 1 1 -6  -30 19 o 149.742 4.1093  2725.36    149.306  2699.77    212.191  2750.46    210.125  148.893 5.8734  150.295 5.7619  -1.401947      8.227778 
1 1 1 -6  -30 20 o 72.576  3.4851  639.891    61.373   557.814    87.576   719.102    86.034   67.486  5.3932  76.759  4.6412  -9.272545      7.115294 
1 1 1 -6  -30 21 o 247.908 5.5167  7481.17    331.842  7281.22    470.145  7679.69    468.452  244.137 7.9366  250.779 7.6986  -6.642380      11.05701 
1 1 1 -6  -30 22 o 96.855  3.5791  1139.70    84.112   1062.62    119.290  1215.92    118.618  93.296  5.2914  99.980  4.8896  -6.684227      7.204663 
1 1 1 -6  -30 23 o 58.218  3.6295  413.388    51.015   514.823    73.136   317.263    71.196   64.896  4.6759  50.702  5.8973  14.19435       7.526135 
1 1 1 -6  -30 24 o 47.448  4.0318  275.591    45.977   292.318    66.135   259.946    63.962   48.668  5.7089  45.828  5.8883  2.840485       8.201488 
1 1 1 -6  -30 25 o 168.707 4.3713  3460.46    178.941  3489.02    253.879  3432.27    252.251  169.220 6.1832  167.837 6.1942  1.383087       8.752086 
1 1 1 -6  -30 26 o 103.632 3.6993  1304.95    93.019   1324.51    132.331  1285.85    130.780  104.192 5.2512  102.655 5.2682  1.537277       7.438384 
1 1 1 -6  -30 27 o 110.722 3.7255  1489.69    100.088  1392.03    142.487  1584.81    140.623  106.788 5.5179  114.124 5.0783  -7.335892      7.499064 
1 1 1 -6  -30 28 o 104.160 5.3314  1324.07    134.292  1257.68    183.723  1400.23    196.785  101.206 7.5356  106.799 7.6444  -5.593018      10.73415 
1 1 1 -6  -30 29 o 282.647 8.7438  9780.94    599.665  9662.73    840.299  9903.61    856.027  279.661 12.383  283.093 12.462  -3.431763      17.56854 
1 1 1 -6  -30 30 o 208.913 7.0823  5327.67    359.009  5278.07    500.038  5380.44    515.758  207.323 9.9401  209.268 10.157  -1.945297      14.21186 
1 1 1 -6  -30 31 o 148.970 5.9882  2704.64    216.450  2808.98    298.739  2589.33    314.047  151.307 8.1673  145.084 8.9649  6.222885       12.12741 
1 1 1 -6  -30 32 o 137.564 5.3871  2304.67    179.815  2244.63    267.836  2353.94    242.622  135.178 8.2046  138.628 7.2381  -3.450455      10.94103 
1 1 1 -6  -30 33 o 189.019 4.6109  4347.38    211.474  4368.62    308.675  4328.61    290.309  189.166 6.7250  188.361 6.3519  0.8047180      9.250551 
1 1 1 -6  -30 34 o 128.439 3.7966  2005.64    118.319  2108.13    177.270  1923.30    158.892  131.521 5.5549  125.657 5.2114  5.863579       7.616786 
1 1 1 -6  -30 35 o 176.136 4.4603  3775.70    190.624  3685.36    280.193  3853.55    260.093  173.682 6.6487  177.711 6.0319  -4.028427      8.977122 
1 1 1 -6  -30 36 o 6.7182  3.3673  -68.0700   23.574   -118.2743  44.567   -48.5653   27.779   9.5222  4.7510  8.6374  4.1967  0.8847723      6.339101 
1 1 1 -6  -30 37 o 115.427 3.6791  1620.59    103.043  1773.76    156.201  1502.58    137.107  120.587 5.3385  111.014 5.0900  9.572693       7.376200 
1 1 1 -6  -30 38 f 174.943 4.3551  3728.07    184.866  4106.01    273.193  3408.82    251.084  183.232 6.1448  166.941 6.1986  16.29094       8.728155 
1 1 1 -6  -30 39 o 139.860 4.0053  2382.21    135.924  2425.32    204.556  2348.13    181.885  140.788 5.9880  138.639 5.4069  2.150055       8.067890 
1 1 1 -6  -30 40 o 94.348  3.6031  1083.69    82.484   1051.48    127.904  1106.63    107.925  92.519  5.7257  95.230  4.6707  -2.710205      7.389112 
1 1 1 -6  -30 41 o 90.389  3.5594  994.959    78.065   1105.70    122.303  918.817    101.411  94.919  5.3319  86.590  4.8462  8.328812       7.205208 
1 1 1 -6  -30 42 o 111.446 3.7666  1513.93    101.853  1435.47    157.426  1570.41    133.579  107.961 6.0337  113.330 4.8577  -5.368233      7.746152 
1 1 1 -6  -30 43 o 77.323  3.6206  728.860    67.928   641.874    109.923  782.602    86.400   71.935  6.3634  79.900  4.4746  -7.964958      7.779109 
1 1 1 -6  -30 44 o 109.445 3.7930  1461.64    100.726  1479.15    157.245  1449.45    131.170  109.487 5.9413  108.763 4.9704  0.7233047      7.746204 
1 1 1 -6  -30 45 o 72.304  5.3738  645.679    93.603   652.801    146.227  640.734    121.836  71.749  8.5689  71.554  7.1116  0.1946259      11.13559 
1 1 1 -6  -30 46 o 68.976  5.4905  588.947    91.131   599.821    145.554  581.935    116.872  68.512  8.9714  68.085  7.1829  0.4271927      11.49259 
1 1 1 -6  -30 47 o 20.129  7.4536  40.150     48.311   90.688     86.986   17.609     58.095   28.300  10.068  19.136  7.8420  9.163790       12.76209 
1 1 1 -6  -30 48 o 78.729  3.8010  757.661    72.610   765.412    118.609  753.015    91.828   78.385  6.2892  78.154  4.8665  0.2304001      7.952150 
1 1 1 -6  -30 49 o 34.586  5.4734  150.906    44.405   198.661    77.838   127.866    54.065   39.017  8.4653  31.420  7.2403  7.596724       11.13925 
1 1 1 -6  -30 50 o 164.210 4.5835  3310.20    182.626  3237.01    279.323  3364.84    241.360  161.037 7.1485  164.853 6.0340  -3.815170      9.354713 
1 1 1 -6  -30 51 o 35.020  5.3845  154.668    44.288   352.625    84.423   79.504     52.021   52.811  6.7421  25.118  7.7561  27.69387       10.27679 
1 1 1 -6  -30 52 o 43.629  6.2439  241.035    64.215   331.386    126.374  209.587    74.557   49.630  10.801  40.135  7.9372  9.494896       13.40381 
1 1 1 -6  -30 53 o 41.723  6.7787  222.841    66.270   188.843    128.169  235.247    77.423   37.663  12.244  42.571  7.7821  -4.907879      14.50789 
1 1 1 -6  -30 54 o 77.098  4.0078  731.655    74.716   904.826    130.791  647.766    91.032   84.859  6.3991  72.161  5.2347  12.69838       8.267466 
1 1 1 -6  -30 55 o 17.068  6.4980  26.557     37.274   -32.0620   80.080   42.769     42.114   18.625  8.3941  19.653  7.0043  -1.027136      10.93256 
1 1 1 -6  -30 56 o 46.023  4.7469  264.610    52.248   209.343    101.342  284.618    60.976   39.012  10.482  47.560  5.3783  -8.548145      11.78136 
1 1 1 -6  -30 57 o 53.973  4.5134  362.514    58.565   330.988    111.588  374.499    68.803   49.448  9.6468  54.625  5.2559  -5.176289      10.98569 
1 1 1 -6  -30 58 o 24.853  6.9132  80.945     43.207   22.064     90.137   98.511     49.231   22.742  9.5794  27.294  7.2943  -4.551172      12.04040 
1 1 1 -6  -30 59 o 63.433  9.6993  544.714    144.544  544.714    144.544  0.0000     0.0000   63.433  9.6993  ?       ?       0.000000       9.699345 
1 1 1 -6  -30 60 o 58.948  10.528  480.961    145.063  480.961    145.063  0.0000     0.0000   58.948  10.528  ?       ?       0.000000       10.52837 
1 1 1 -6  -30 61 o 57.653  5.2968  418.572    73.267   263.918    146.108  470.526    84.684   42.289  12.988  60.939  5.7971  -18.64964      14.22344 
1 1 1 -6  -30 62 o 40.385  8.8980  221.439    84.840   440.783    157.056  131.061    100.814  55.392  12.030  31.531  10.867  23.86075       16.21170 
1 1 1 -6  -30 63 o 20.104  8.4079  17.932     68.659   279.060    136.930  -69.7725   79.356   43.708  12.360  16.610  7.7909  27.09860       14.61035 
1 1 1 -6  -30 64 o 47.758  6.1163  292.278    69.247   189.550    144.122  323.111    78.958   36.733  12.972  50.006  6.6740  -13.27319      14.58780 
1 1 1 -6  -30 65 o 32.205  8.1566  140.751    63.806   0.0132     265.973  149.345    65.725   33.041  15.052  33.159  8.2120  -0.1177216     17.14623 
1 1 1 -6  -29 1  o 66.920  4.0930  546.576    66.142   515.730    93.464   577.520    93.613   64.766  6.0162  68.614  5.6738  -3.847496      8.269675 
1 1 1 -6  -29 2  o 101.861 3.8303  1261.15    94.667   1374.01    140.041  1166.17    128.466  106.079 5.4593  97.707  5.4403  8.372414       7.707235 
1 1 1 -6  -29 3  o 222.364 5.2595  6019.20    283.772  6460.03    406.390  5599.73    396.423  230.005 7.2819  214.075 7.6319  15.93050       10.54849 
1 1 1 -6  -29 4  o 221.283 5.1548  5959.34    276.772  6314.61    396.025  5620.14    386.963  227.448 7.1759  214.529 7.4339  12.91905       10.33234 
1 1 1 -6  -29 5  f 69.637  3.7842  591.030    63.701   680.877    96.609   521.920    84.729   74.599  5.3733  65.259  5.3995  9.340401       7.617484 
1 1 1 -6  -29 6  o 143.516 4.1648  2503.71    145.030  2651.50    209.812  2368.47    200.698  147.550 5.8604  139.446 5.9316  8.103668       8.338377 
1 1 1 -6  -29 7  o 90.425  3.7186  993.521    81.589   1061.41    119.926  935.028    111.321  93.238  5.3231  87.498  5.2680  5.739563       7.489107 
1 1 1 -6  -29 8  o 89.436  3.7105  971.868    80.520   1090.62    118.784  870.907    109.523  94.532  5.1986  84.424  5.3746  10.10831       7.477381 
1 1 1 -6  -29 9  o 78.211  3.7019  743.203    70.252   844.533    104.465  659.541    94.921   83.151  5.2040  73.423  5.3652  9.727333       7.474376 
1 1 1 -6  -29 10 o 225.339 7.3930  6196.41    404.224  0.0000     0.0000   6196.41    404.224  ?       ?       225.339 7.3930  0.000000       7.393015 
1 1 1 -6  -29 11 o 86.082  6.8342  909.053    141.572  0.0000     0.0000   909.053    141.572  ?       ?       86.082  6.8342  0.000000       6.834240 
1 1 1 -6  -29 12 o 32.696  7.3446  135.575    56.844   78.715     120.690  151.784    64.439   30.510  11.674  34.578  7.8588  -4.068270      14.07283 
1 1 1 -6  -29 13 o 40.319  6.1447  202.489    58.214   122.320    95.463   249.950    73.451   32.226  10.571  44.749  6.9937  -12.52258      12.67541 
1 1 1 -6  -29 14 o 87.289  5.1219  930.091    108.006  929.708    166.637  930.368    141.832  86.889  7.9935  87.103  6.7639  -0.2141113     10.47119 
1 1 1 -6  -29 15 o 226.850 7.4040  6279.08    407.540  6545.35    590.698  6037.20    562.996  230.935 10.542  221.809 10.461  9.125870       14.85106 
1 1 1 -6  -29 16 o 107.677 5.2636  1410.69    137.521  1278.49    207.273  1514.64    183.803  101.933 8.4568  111.256 6.8419  -9.323181      10.87788 
1 1 1 -6  -29 17 o 198.048 6.8226  4781.62    327.854  4595.96    476.459  4948.58    451.833  193.330 10.193  201.067 9.2613  -7.736389      13.77200 
1 1 1 -6  -29 18 o 197.924 6.8598  4775.91    329.440  4239.50    477.846  5261.84    454.803  185.544 10.659  207.378 9.0385  -21.83307      13.97507 
1 1 1 -6  -29 19 o 110.440 5.2812  1484.04    141.521  1377.34    211.217  1570.97    190.643  105.854 8.2897  113.296 6.9687  -7.441650      10.82970 
1 1 1 -6  -29 20 o 221.499 5.1172  5968.46    275.021  5949.27    389.702  5987.49    388.179  220.837 7.2727  221.554 7.2209  -0.7168884     10.24857 
1 1 1 -6  -29 21 f 80.185  3.4740  781.033    67.591   723.110    95.534   839.088    95.642   76.926  5.1479  82.929  4.7733  -6.003250      7.020350 
1 1 1 -6  -29 22 o 45.873  3.7424  257.372    41.292   233.240    58.660   281.075    58.136   43.403  5.7085  47.800  5.0908  -4.397068      7.648773 
1 1 1 -6  -29 23 o 39.063  4.0244  187.397    37.598   229.753    53.381   145.700    52.964   43.146  5.2040  33.995  6.6593  9.151772       8.451458 
1 1 1 -6  -29 24 o 72.773  3.4778  643.328    61.411   661.844    87.493   625.348    86.217   73.602  4.9276  71.528  4.9991  2.074814       7.019433 
1 1 1 -6  -29 25 o 234.380 5.3352  6684.72    303.416  6275.82    429.952  7090.37    428.242  226.708 7.8161  241.067 7.3213  -14.35876      10.70945 
1 1 1 -6  -29 26 o 78.647  3.6045  751.447    68.783   741.032    97.697   761.683    96.857   77.869  5.2006  78.964  5.0822  -1.095108      7.271533 
1 1 1 -6  -29 27 o 92.454  3.6475  1038.51    81.826   1077.16    117.140  1001.68    114.349  93.951  5.1583  90.582  5.2248  3.368942       7.342108 
1 1 1 -6  -29 28 o 88.910  3.6232  960.414    78.165   1032.38    111.629  891.190    109.485  91.984  5.0205  85.412  5.3092  6.571884       7.307005 
1 1 1 -6  -29 29 o 145.415 5.8367  2575.11    205.938  2520.69    284.469  2635.05    298.521  143.376 8.2112  146.561 8.4300  -3.184860      11.76809 
1 1 1 -6  -29 30 o 78.699  5.3565  757.305    101.676  739.050    137.077  779.635    151.603  77.465  7.3821  79.488  7.9676  -2.023300      10.86179 
1 1 1 -6  -29 31 o 214.963 6.8631  5636.99    357.973  6145.42    520.087  5179.28    493.461  223.869 9.5745  205.444 9.8991  18.42459       13.77186 
1 1 1 -6  -29 32 o 221.997 7.1262  6015.79    383.858  5976.95    557.246  6050.86    529.529  220.515 10.415  222.032 9.8290  -1.516647      14.32044 
1 1 1 -6  -29 33 o 98.086  4.8142  1170.64    114.577  1343.34    175.980  1043.56    150.956  104.678 6.9684  92.230  6.7933  12.44787       9.731778 
1 1 1 -6  -29 34 o 59.202  3.6306  427.559    51.902   450.818    82.527   412.340    66.756   60.565  5.6822  58.015  4.7850  2.550255       7.428557 
1 1 1 -6  -29 35 o 236.572 5.3526  6817.60    307.253  6643.55    445.308  6975.75    424.482  232.981 7.8773  238.877 7.3235  -5.896072      10.75572 
1 1 1 -6  -29 36 o 65.795  3.5403  527.732    56.312   579.277    88.708   492.939    72.880   68.742  5.3607  63.454  4.7684  5.287716       7.174610 
1 1 1 -6  -29 37 f 142.666 4.0203  2476.07    139.168  2403.73    207.954  2534.75    187.291  140.316 6.1079  144.195 5.3531  -3.878204      8.121720 
1 1 1 -6  -29 38 o 37.149  4.3934  170.363    38.835   283.600    64.507   105.993    48.636   47.876  5.6627  28.854  7.0149  19.02193       9.015303 
1 1 1 -6  -29 39 o 45.148  4.0322  250.107    43.707   230.202    72.866   261.293    54.625   42.742  7.2873  46.024  4.9705  -3.281742      8.821009 
1 1 1 -6  -29 40 o 163.877 4.3791  3273.10    174.127  3009.05    259.246  3490.13    235.036  156.618 6.8219  168.947 5.7335  -12.32938      8.911327 
1 1 1 -6  -29 41 o 190.829 4.6604  4443.88    215.792  4679.24    319.590  4246.67    292.552  195.195 6.7478  186.041 6.4808  9.153458       9.355931 
1 1 1 -6  -29 42 o 172.966 4.4336  3651.17    186.072  3836.87    277.999  3500.46    250.445  176.716 6.4834  168.910 6.1107  7.806320       8.909279 
1 1 1 -6  -29 43 o 199.182 4.8675  4851.69    235.245  4917.14    348.304  4796.79    318.998  199.585 7.1923  197.369 6.6611  2.216385       9.803004 
1 1 1 -6  -29 44 o 55.239  3.9211  374.157    52.215   305.355    85.451   415.153    65.961   49.158  7.3929  58.069  4.7224  -8.910652      8.772454 
1 1 1 -6  -29 45 f 48.667  5.9833  295.726    69.167   307.783    113.621  288.626    87.182   48.580  9.9732  47.607  7.8187  0.9726906      12.67268 
1 1 1 -6  -29 46 o 219.068 7.5663  5970.04    402.183  5791.42    587.883  6127.18    551.412  212.137 11.464  219.577 10.350  -7.440475      15.44447 
1 1 1 -6  -29 47 o 64.351  5.5563  513.347    85.906   590.095    138.679  465.560    109.429  68.084  8.5856  60.690  7.5976  7.393974       11.46455 
1 1 1 -6  -29 48 o 97.221  3.8366  1155.15    90.505   1151.18    144.619  1157.70    116.037  96.295  6.2228  96.973  4.9480  -0.6781769     7.950264 
1 1 1 -6  -29 49 o 61.891  4.0745  470.685    60.846   464.621    104.240  473.819    74.936   60.678  7.2219  61.893  5.0335  -1.214600      8.802979 
1 1 1 -6  -29 50 o 80.612  3.8861  794.791    76.011   857.650    127.655  760.262    94.612   82.941  6.3924  78.484  4.9942  4.457695       8.112002 
1 1 1 -6  -29 51 f 75.843  3.9175  705.756    71.846   827.253    123.182  643.116    88.448   81.444  6.2819  72.109  5.0878  9.334961       8.083807 
1 1 1 -6  -29 52 o 88.990  5.4159  981.147    116.386  1114.42    201.817  914.741    142.462  93.203  9.0376  85.345  6.9396  7.858185       11.39461 
1 1 1 -6  -29 53 o 50.933  6.0710  326.446    73.550   537.268    140.343  246.619    86.359   64.232  9.2734  43.414  8.5022  20.81717       12.58114 
1 1 1 -6  -29 54 o 74.883  5.4948  698.278    99.141   788.277    182.025  660.319    118.214  77.469  9.9108  72.308  6.8183  5.161072       12.02972 
1 1 1 -6  -29 55 o 51.364  4.5213  327.479    55.774   409.116    106.911  296.953    65.376   56.198  8.0721  48.579  5.6520  7.618870       9.854140 
1 1 1 -6  -29 56 o 54.248  4.4382  365.167    57.907   465.862    108.850  325.419    68.388   60.120  7.6339  50.837  5.6392  9.282940       9.490905 
1 1 1 -6  -29 57 o 40.039  5.2433  202.392    49.715   217.841    98.895   197.168    57.510   39.824  10.192  39.197  6.2573  0.6276207      11.95946 
1 1 1 -6  -29 58 o 31.799  6.7871  132.499    50.773   69.796     92.156   159.826    60.839   26.297  10.165  34.790  7.4328  -8.493689      12.59263 
1 1 1 -6  -29 59 o 22.535  9.9216  -8.3546    105.295  -8.3546    105.295  0.0000     0.0000   22.535  9.9216  ?       ?       0.000000       9.921578 
1 1 1 -6  -29 60 o 68.915  4.8394  592.844    80.409   592.501    150.413  592.981    95.146   66.278  9.6352  68.518  5.7769  -2.239914      11.23427 
1 1 1 -6  -29 61 o 42.898  6.4882  237.501    65.426   119.147    132.660  275.540    75.209   31.879  12.229  46.081  6.9418  -14.20232      14.06231 
1 1 1 -6  -29 62 o 26.086  9.2817  81.990     73.925   71.884     150.781  85.188     84.818   30.157  12.523  26.987  9.8961  3.169895       15.96108 
1 1 1 -6  -29 63 o 48.645  8.2982  314.168    94.431   331.155    166.765  306.150    114.569  46.957  13.754  46.967  10.334  -0.1018143E-01 17.20318 
1 1 1 -6  -29 64 o 25.709  7.9111  86.462     54.174   17.846     123.419  102.838    60.293   25.409  10.968  27.812  8.3020  -2.403193      13.75612 
1 1 1 -6  -29 65 o 68.403  5.1737  588.167    85.234   604.878    167.641  582.341    98.983   65.725  10.894  67.608  6.0996  -1.883041      12.48501 
1 1 1 -6  -28 1  o 111.036 3.8764  1498.43    104.437  1568.70    153.383  1437.69    142.598  113.502 5.5694  108.671 5.4080  4.831306       7.763013 
1 1 1 -6  -28 2  o 232.482 5.3467  6578.52    301.607  7047.73    431.518  6130.37    421.723  240.273 7.4017  224.022 7.7584  16.25087       10.72278 
1 1 1 -6  -28 3  o 140.633 4.1173  2403.93    140.496  2609.68    204.071  2218.54    193.715  146.398 5.7449  134.967 5.9152  11.43088       8.245861 
1 1 1 -6  -28 4  o 282.971 6.1534  9754.25    422.495  10422.83   601.381  9102.66    593.690  291.971 8.4888  272.731 8.9714  19.23993       12.35096 
1 1 1 -6  -28 5  o 138.287 4.0693  2324.13    136.543  2509.45    197.589  2154.74    188.906  143.576 5.6718  133.028 5.8525  10.54826       8.149848 
1 1 1 -6  -28 6  o 55.213  3.5664  371.879    47.523   321.644    71.908   410.836    63.324   51.058  5.9137  57.953  4.5395  -6.895012      7.455157 
1 1 1 -6  -28 7  o 207.596 4.9563  5241.72    249.657  5392.46    356.399  5096.48    349.830  210.298 6.9845  204.435 7.0524  5.862854       9.925735 
1 1 1 -6  -28 8  o 173.832 4.4683  3673.51    188.467  3976.66    269.850  3384.81    263.336  180.697 6.1547  166.671 6.5116  14.02660       8.959972 
1 1 1 -6  -28 9  o 342.799 10.224  14408.21   850.364  0.0000     0.0000   14408.21   850.364  ?       ?       342.799 10.224  0.000000       10.22353 
1 1 1 -6  -28 10 o 210.054 7.0277  5379.74    358.185  0.0000     0.0000   5379.74    358.185  ?       ?       210.054 7.0277  0.000000       7.027692 
1 1 1 -6  -28 11 o 152.020 4.1826  2808.68    154.279  2980.85    221.443  2646.29    215.064  156.480 5.8323  147.421 6.0123  9.058441       8.376397 
1 1 1 -6  -28 12 o 98.875  3.5822  1187.60    85.940   1135.91    122.584  1237.56    120.519  96.485  5.2559  100.876 4.9239  -4.390121      7.202003 
1 1 1 -6  -28 13 o 151.875 4.1350  2803.19    152.380  2812.61    216.754  2793.98    214.263  151.997 5.8772  151.497 5.8288  0.4999390      8.277457 
1 1 1 -6  -28 14 f 87.535  3.4959  930.739    74.252   933.738    106.167  927.867    103.886  87.475  5.0231  87.208  4.9297  0.2668686      7.037967 
1 1 1 -6  -28 15 o 135.829 5.6178  2245.40    185.149  2250.35    274.041  2241.24    251.135  135.463 8.3785  135.303 7.6812  0.1601257      11.36667 
1 1 1 -6  -28 16 o 156.341 5.9724  2976.00    226.561  2889.32    332.169  3051.41    309.810  153.449 8.9603  157.867 8.1155  -4.417191      12.08913 
1 1 1 -6  -28 17 o 114.820 5.3303  1604.02    148.502  1416.95    220.932  1758.19    200.569  107.344 8.5533  119.898 6.9238  -12.55331      11.00443 
1 1 1 -6  -28 18 o 156.568 5.9511  2984.56    226.081  2848.60    330.653  3103.93    309.818  152.357 8.9840  159.236 8.0447  -6.878799      12.05944 
1 1 1 -6  -28 19 o 130.320 5.4930  2066.66    173.694  1978.13    256.260  2141.89    236.240  126.977 8.3643  132.307 7.3883  -5.329948      11.16017 
1 1 1 -6  -28 20 o 90.533  5.0879  1000.07    111.313  885.422    166.496  1092.74    149.683  84.757  8.1983  94.476  6.5705  -9.718758      10.50640 
1 1 1 -6  -28 21 o 161.178 6.0262  3163.18    235.675  3005.44    343.568  3303.36    323.891  156.490 9.0873  164.469 8.1162  -7.978714      12.18408 
1 1 1 -6  -28 22 o 90.555  3.4903  996.073    76.690   930.780    108.824  1060.49    108.091  87.323  5.1590  93.265  4.7927  -5.942413      7.041663 
1 1 1 -6  -28 23 o 151.170 4.1050  2777.13    150.572  2601.35    213.879  2949.86    212.015  146.165 6.0306  155.686 5.6124  -9.521149      8.238191 
1 1 1 -6  -28 24 o 210.722 4.9363  5400.23    252.391  5447.49    358.002  5353.53    355.875  211.385 6.9799  209.551 6.9991  1.833786       9.884678 
1 1 1 -6  -28 25 o 346.125 7.2152  14610.69   605.962  14579.54   858.142  14641.67   855.782  344.840 10.256  345.591 10.206  -0.7518005     14.46855 
1 1 1 -6  -28 26 o 174.744 4.4138  3711.88    187.147  3709.64    265.771  3714.08    263.575  174.516 6.2764  174.626 6.2206  -0.1105652     8.836746 
1 1 1 -6  -28 27 o 204.055 4.8585  5063.78    240.556  4937.66    341.528  5187.95    338.882  201.239 6.9944  206.309 6.7696  -5.069824      9.733941 
1 1 1 -6  -28 28 o 76.531  3.6211  711.529    67.243   723.252    96.250   700.353    93.982   76.931  5.1866  75.702  5.1471  1.229301       7.307050 
1 1 1 -6  -28 29 o 140.471 4.0260  2397.95    137.221  2495.42    195.393  2303.10    192.752  143.182 5.6242  137.541 5.7757  5.640366       8.061604 
1 1 1 -6  -28 30 o 291.921 8.7862  10423.68   622.343  10378.61   893.144  10466.21   867.662  290.007 12.693  291.388 12.272  -1.381470      17.65509 
1 1 1 -6  -28 31 o 139.603 5.3896  2371.89    182.565  2444.07    270.905  2311.82    247.106  141.232 7.9375  137.431 7.4380  3.801895       10.87782 
1 1 1 -6  -28 32 o 233.833 7.3506  6673.75    417.055  6903.79    604.748  6465.12    575.917  237.083 10.513  229.472 10.343  7.610840       14.74795 
1 1 1 -6  -28 33 o 103.455 4.8869  1302.10    122.673  1404.02    187.664  1226.06    162.100  107.005 7.2711  100.044 6.7167  6.961060       9.898628 
1 1 1 -6  -28 34 o 106.284 3.5731  1372.61    92.145   1542.12    139.985  1243.01    122.404  112.563 5.1253  101.067 4.9914  11.49573       7.154208 
1 1 1 -6  -28 35 o 157.818 4.2103  3028.60    161.224  2878.77    238.243  3155.19    218.982  153.635 6.3910  160.939 5.6077  -7.304474      8.502390 
1 1 1 -6  -28 36 o 77.759  3.5342  734.831    66.681   697.487    104.330  760.620    86.700   75.434  5.7432  78.937  4.5459  -3.502617      7.324540 
1 1 1 -6  -28 37 o 199.662 4.7352  4852.94    229.403  5125.81    336.116  4614.99    313.874  204.837 6.7626  194.384 6.6547  10.45320       9.487821 
1 1 1 -6  -28 38 o 82.215  3.5701  821.808    71.218   842.967    111.325  807.149    92.660   82.956  5.5630  81.278  4.7188  1.678123       7.294757 
1 1 1 -6  -28 39 o 42.443  4.2314  221.454    42.996   223.917    71.139   220.036    53.969   42.178  7.2102  42.131  5.4040  0.4734802E-01  9.010526 
1 1 1 -6  -28 40 o 216.298 5.1234  5708.19    268.891  5429.26    393.814  5951.79    368.031  210.195 7.7216  220.365 6.8830  -10.17082      10.34400 
1 1 1 -6  -28 41 o 226.855 5.2647  6285.96    289.791  6333.58    424.208  6244.29    396.814  226.839 7.7072  225.419 7.2549  1.420197       10.58465 
1 1 1 -6  -28 42 o 71.930  3.6472  631.620    63.447   640.251    102.934  626.332    80.572   72.057  5.9403  71.486  4.6708  0.5708389      7.556680 
1 1 1 -6  -28 43 o 195.236 4.8443  4658.11    229.483  4533.01    340.003  4762.79    311.008  191.712 7.3092  196.843 6.5116  -5.130936      9.789028 
1 1 1 -6  -28 44 o 58.138  3.8841  414.014    54.475   351.511    87.898   452.994    69.414   52.940  7.0155  60.687  4.7519  -7.746429      8.473383 
1 1 1 -6  -28 45 o 144.282 4.1286  2542.02    144.538  2644.85    219.916  2463.82    191.777  146.582 6.1832  141.667 5.5791  4.915680       8.328149 
1 1 1 -6  -28 46 o 146.768 6.1078  2654.04    217.510  2379.91    324.931  2876.62    292.786  137.008 9.8397  151.787 7.9777  -14.77942      12.66742 
1 1 1 -6  -28 47 o 31.420  7.4260  127.497    55.719   174.400    96.719   104.198    68.167   36.529  10.408  28.760  8.8782  7.769745       13.68017 
1 1 1 -6  -28 48 o 47.939  6.1745  288.270    70.152   235.879    119.887  315.549    86.509   42.080  11.441  49.864  7.3723  -7.784546      13.61036 
1 1 1 -6  -28 49 o 95.202  3.7885  1107.43    87.515   1119.05    142.146  1100.33    111.059  94.947  6.2042  94.562  4.8567  0.3845139      7.879044 
1 1 1 -6  -28 50 o 72.518  3.9714  645.067    69.615   464.442    116.700  744.847    86.737   60.350  8.1803  77.797  4.6156  -17.44641      9.392590 
1 1 1 -6  -28 51 o 37.378  5.1623  175.034    45.569   81.369     86.191   211.373    53.686   27.378  9.9855  41.052  5.5305  -13.67317      11.41476 
1 1 1 -6  -28 52 o 25.212  6.6523  81.906     41.286   210.495    80.172   35.498     48.163   40.134  8.4975  19.555  7.4004  20.57868       11.26824 
1 1 1 -6  -28 53 o 40.033  6.6379  204.571    62.219   184.368    119.753  212.041    72.819   37.332  11.805  40.462  7.6982  -3.130310      14.09350 
1 1 1 -6  -28 54 o 18.097  7.2285  22.287     47.932   122.624    109.573  -1.4574    53.303   31.884  11.305  16.809  7.2324  15.07463       13.42045 
1 1 1 -6  -28 55 o 43.640  4.9318  237.990    51.306   200.962    97.837   252.035    60.255   38.540  10.275  44.720  5.6812  -6.180119      11.74087 
1 1 1 -6  -28 56 o 53.868  4.4698  359.970    57.895   301.784    108.663  383.034    68.413   47.376  9.7771  55.384  5.1499  -8.008106      11.05046 
1 1 1 -6  -28 57 o 18.744  7.1384  32.779     44.993   -28.3339   84.613   56.872     53.127   19.355  8.6836  22.258  7.8739  -2.903135      11.72195 
1 1 1 -6  -28 58 o 19.668  8.7413  -19.1785   83.627   -19.1785   83.627   0.0000     0.0000   19.668  8.7413  ?       ?       0.000000       8.741306 
1 1 1 -6  -28 59 o 37.110  10.647  191.235    100.867  191.235    100.867  0.0000     0.0000   37.110  10.647  ?       ?       0.000000       10.64701 
1 1 1 -6  -28 60 o 70.454  4.8129  618.839    81.785   601.997    155.730  625.252    96.105   66.717  9.9220  70.457  5.6695  -3.740150      11.42760 
1 1 1 -6  -28 61 o 37.507  7.1893  184.698    63.047   -17.1837   127.189  250.463    72.593   24.196  10.766  43.880  7.0573  -19.68458      12.87256 
1 1 1 -6  -28 62 o 18.470  7.9426  2.2338     64.219   -222.8998  127.930  78.075     74.252   17.800  8.7253  25.765  9.2877  -7.964933      12.74334 
1 1 1 -6  -28 63 o 28.100  9.5897  100.308    78.449   29.080     143.446  130.702    93.704   27.632  11.876  31.422  10.482  -3.789980      15.84014 
1 1 1 -6  -28 64 o 25.629  8.4988  83.490     61.638   26.672     148.753  95.267     67.726   27.824  12.026  27.150  8.9041  0.6746750      14.96390 
1 1 1 -6  -28 65 o 36.413  8.3260  179.229    71.962   0.0000     0.0000   179.229    71.962   ?       ?       36.413  8.3260  0.000000       8.326045 
1 1 1 -6  -27 1  o 198.311 4.9028  4783.48    235.917  5073.56    338.381  4509.11    329.088  203.989 6.8365  192.276 7.0538  11.71269       9.823133 
1 1 1 -6  -27 2  o 279.646 6.1019  9524.36    414.035  10094.39   589.706  8970.18    581.449  287.382 8.4569  270.812 8.8487  16.57007       12.24008 
1 1 1 -6  -27 3  o 186.141 4.6665  4212.95    210.765  4524.18    302.389  3918.90    293.925  192.698 6.4673  179.310 6.7557  13.38770       9.352295 
1 1 1 -6  -27 4  o 157.134 4.3015  3001.10    164.003  3131.05    236.241  2880.20    227.858  160.352 6.0718  153.791 6.1062  6.560822       8.611152 
1 1 1 -6  -27 5  o 55.977  3.7775  382.411    51.006   404.630    76.969   365.013    68.109   57.392  5.5985  54.531  5.2109  2.860764       7.648304 
1 1 1 -6  -27 6  o 255.174 5.7102  7925.02    353.549  8421.20    502.762  7439.62    497.271  262.658 7.8887  246.795 8.3041  15.86328       11.45384 
1 1 1 -6  -27 7  o 168.045 4.4120  3432.53    179.898  3684.65    257.672  3192.76    251.278  173.956 6.1047  161.900 6.3965  12.05573       8.842102 
1 1 1 -6  -27 8  o 310.479 9.4461  11797.04   711.617  0.0000     0.0000   11797.04   711.617  ?       ?       310.479 9.4461  0.000000       9.446060 
1 1 1 -6  -27 9  o 314.062 9.5414  12072.92   727.091  0.0000     0.0000   12072.92   727.091  ?       ?       314.062 9.5414  0.000000       9.541351 
1 1 1 -6  -27 10 o 146.244 4.0700  2598.93    144.423  2656.62    207.041  2544.24    201.561  147.738 5.7756  144.581 5.7455  3.156158       8.146722 
1 1 1 -6  -27 11 o 165.255 4.2920  3319.12    172.097  3378.61    244.645  3260.84    242.137  166.581 6.0527  163.647 6.0980  2.933533       8.591898 
1 1 1 -6  -27 12 o 256.384 5.7230  8000.32    356.025  7936.98    504.690  8063.06    502.309  254.946 8.1585  256.984 8.0556  -2.037888      11.46538 
1 1 1 -6  -27 13 o 119.720 3.7243  1741.22    108.185  1750.01    153.751  1732.61    152.254  119.939 5.2832  119.342 5.2579  0.5963287      7.453663 
1 1 1 -6  -27 14 o 169.316 4.3074  3484.36    176.961  3634.04    251.414  3337.40    249.123  172.767 5.9974  165.546 6.2020  7.221497       8.627513 
1 1 1 -6  -27 15 o 213.797 4.9687  5558.93    257.753  5677.94    365.499  5441.18    363.546  215.819 6.9796  211.255 7.0923  4.563934       9.950670 
1 1 1 -6  -27 16 o 242.442 5.4333  7151.67    319.621  7376.93    453.003  6928.38    451.028  245.891 7.5927  238.261 7.8017  7.630463       10.88643 
1 1 1 -6  -27 17 o 246.207 7.8435  7398.65    468.570  7226.95    673.927  7559.32    651.935  242.509 11.453  248.192 10.826  -5.682251      15.75963 
1 1 1 -6  -27 18 o 217.172 7.1645  5750.75    377.534  5749.30    544.994  5752.08    523.483  216.551 10.372  216.692 9.9562  -0.1411743     14.37733 
1 1 1 -6  -27 19 o 174.368 6.2479  3702.77    264.341  3792.10    384.403  3622.64    364.093  175.867 9.0387  171.938 8.7562  3.929214       12.58451 
1 1 1 -6  -27 20 o 124.643 5.3745  1890.12    162.544  1819.16    239.372  1950.83    221.419  121.791 8.1471  126.277 7.2570  -4.485519      10.91051 
1 1 1 -6  -27 21 f 262.982 8.2801  8446.46    528.353  7742.13    757.128  9115.03    737.660  250.734 12.445  272.456 11.158  -21.72142      16.71474 
1 1 1 -6  -27 22 o 164.921 6.0490  3311.50    242.061  3342.96    351.892  3283.25    333.501  165.145 8.8136  163.732 8.4231  1.412628       12.19135 
1 1 1 -6  -27 23 o 143.606 3.9628  2505.75    138.084  2577.22    196.530  2436.08    194.055  145.532 5.5655  141.484 5.6526  4.047516       7.932681 
1 1 1 -6  -27 24 o 307.554 6.5541  11523.33   489.102  11564.16   692.897  11482.79   690.500  307.457 9.2880  306.374 9.2886  1.083710       13.13558 
1 1 1 -6  -27 25 o 314.240 6.6897  12031.85   510.075  12016.32   722.662  12047.27   720.054  313.350 9.5048  313.767 9.4579  -0.4166260     13.40866 
1 1 1 -6  -27 26 f 156.055 4.1778  2959.55    158.196  2914.97    225.252  3002.94    222.224  154.737 5.9994  157.070 5.8309  -2.332733      8.366136 
1 1 1 -6  -27 27 o 253.287 5.6465  7807.36    347.021  7729.53    492.193  7884.30    489.343  251.617 8.0618  254.149 7.9353  -2.531494      11.31197 
1 1 1 -6  -27 28 o 65.635  3.6986  524.998    58.663   524.889    83.556   525.105    82.381   65.472  5.3053  65.495  5.2274  -0.2235413E-01 7.447963 
1 1 1 -6  -27 29 o 166.807 4.2487  3381.75    171.964  3379.12    250.742  3384.08    236.287  166.574 6.2038  166.733 5.8406  -0.1583405     8.520512 
1 1 1 -6  -27 30 o 185.639 4.5179  4189.51    203.502  4111.26    296.092  4259.57    280.159  183.679 6.6436  187.019 6.1739  -3.340149      9.069407 
1 1 1 -6  -27 31 o 276.186 8.3230  9319.91    557.757  9762.06    803.417  8908.57    774.929  281.675 11.755  269.043 11.871  12.63202       16.70623 
1 1 1 -6  -27 32 o 205.014 6.7822  5123.85    337.380  4924.07    491.990  5301.19    463.537  200.129 10.165  208.116 9.1794  -7.986435      13.69636 
1 1 1 -6  -27 33 o 113.739 5.0057  1573.75    138.146  1716.20    210.021  1465.11    183.408  118.366 7.3489  109.389 6.9461  8.976898       10.11207 
1 1 1 -6  -27 34 o 92.679  4.8770  1047.74    109.287  1042.16    169.415  1051.72    143.025  92.067  7.6531  92.675  6.3997  -0.6081619     9.976285 
1 1 1 -6  -27 35 o 129.200 3.8233  2028.69    119.857  2067.59    179.771  1997.56    160.816  130.295 5.6863  128.112 5.1734  2.183075       7.687522 
1 1 1 -6  -27 36 o 54.666  3.7288  364.879    49.165   466.172    79.502   302.153    62.562   61.643  5.3689  49.539  5.2865  12.10464       7.534716 
1 1 1 -6  -27 37 o 158.223 4.1778  3044.54    160.391  3189.95    238.252  2924.03    216.903  161.740 6.0709  154.890 5.7714  6.850204       8.376419 
1 1 1 -6  -27 38 o 206.601 4.8045  5196.70    240.846  5730.10    353.072  4732.49    329.377  216.581 6.7186  196.791 6.8980  19.79079       9.629241 
1 1 1 -6  -27 39 o 76.563  3.5655  712.735    66.238   825.828    105.445  639.022    85.130   82.135  5.3196  72.264  4.8837  9.870720       7.221405 
1 1 1 -6  -27 40 o 133.121 3.9186  2156.42    126.574  2225.54    191.714  2103.01    168.525  134.989 5.8532  131.301 5.2897  3.688202       7.889309 
1 1 1 -6  -27 41 o 58.711  3.7814  421.250    53.582   269.589    87.934   510.820    67.577   46.144  8.1519  64.609  4.3358  -18.46545      9.233232 
1 1 1 -6  -27 42 o 106.590 3.7317  1383.24    96.513   1431.58    149.436  1348.64    126.415  108.032 5.7212  105.107 4.9568  2.925095       7.569845 
1 1 1 -6  -27 43 o 108.567 3.8196  1435.96    100.620  1258.61    155.152  1564.70    132.186  101.076 6.3587  113.190 4.8130  -12.11427      7.974793 
1 1 1 -6  -27 44 o 18.629  6.3339  39.475     34.222   98.269     57.549   7.3077     42.567   27.862  8.0563  15.967  6.6440  11.89465       10.44251 
1 1 1 -6  -27 45 o 9.2979  4.4793  -46.0314   30.015   11.916     52.948   -73.4712   36.435   18.001  7.4435  9.4421  4.6340  8.558896       8.768082 
1 1 1 -6  -27 46 f 36.319  6.8534  168.075    58.181   115.423    98.670   196.139    72.037   31.281  10.753  39.074  7.8702  -7.792816      13.32534 
1 1 1 -6  -27 47 f 47.168  6.0879  278.485    68.048   264.421    112.864  286.518    85.295   44.788  10.558  47.448  7.6705  -2.659882      13.05013 
1 1 1 -6  -27 48 o 115.077 5.6157  1629.67    156.803  1703.93    240.019  1574.38    207.109  116.301 8.5657  112.191 7.6538  4.110245       11.48703 
1 1 1 -6  -27 49 o 93.807  3.7865  1074.89    86.187   1172.44    140.399  1015.90    109.179  97.306  5.9754  90.843  4.9720  6.463425       7.773447 
1 1 1 -6  -27 50 o 94.035  3.9123  1080.91    89.267   1130.93    146.076  1051.10    112.774  95.405  6.3464  92.366  5.0511  3.039673       8.111107 
1 1 1 -6  -27 51 o 28.641  6.1497  105.203    41.460   65.099     76.854   121.665    49.240   25.277  9.3928  30.727  6.7856  -5.450489      11.58750 
1 1 1 -6  -27 52 o 57.898  4.2154  412.777    58.813   391.537    106.298  422.148    70.605   55.274  8.1721  58.375  5.0340  -3.100555      9.598159 
1 1 1 -6  -27 53 o 46.937  6.3810  278.336    70.789   496.757    136.681  198.272    82.752   61.797  9.4127  38.790  8.9709  23.00759       13.00294 
1 1 1 -6  -27 54 o 66.658  5.7222  554.214    91.653   700.377    170.709  495.018    108.638  73.187  9.8642  62.429  7.3102  10.75780       12.27772 
1 1 1 -6  -27 55 o 58.374  4.4465  421.477    62.506   239.908    112.962  501.605    75.042   41.955  10.972  63.585  4.9017  -21.63018      12.01696 
1 1 1 -6  -27 56 o 81.880  4.1288  825.990    81.766   890.010    142.230  794.388    99.929   83.804  7.0604  79.945  5.1794  3.858795       8.756422 
1 1 1 -6  -27 57 f 13.637  6.6412  -119.9642  70.660   -119.9642  70.660   0.0000     0.0000   13.637  6.6412  ?       ?       0.000000       6.641151 
1 1 1 -6  -27 58 o 23.897  9.7014  40.779     87.870   40.779     87.870   0.0000     0.0000   23.897  9.7014  ?       ?       0.000000       9.701395 
1 1 1 -6  -27 59 o 79.327  4.2907  778.834    82.280   594.985    144.754  866.585    100.007  66.970  9.1473  83.415  4.9635  -16.44453      10.40723 
1 1 1 -6  -27 60 o 60.582  5.1110  459.529    74.429   360.076    150.368  491.802    85.658   49.962  12.449  62.450  5.7164  -12.48769      13.69873 
1 1 1 -6  -27 61 o 40.158  6.6964  208.919    62.953   263.313    133.556  193.382    71.379   42.807  12.242  38.140  7.9700  4.667240       14.60791 
1 1 1 -6  -27 62 o 47.721  8.2132  300.883    91.670   430.876    171.944  249.262    108.353  54.296  13.183  42.325  10.580  11.97094       16.90359 
1 1 1 -6  -27 63 o 39.228  9.2821  209.354    86.972   213.568    155.740  207.444    104.842  38.989  13.503  38.570  10.783  0.4192619      17.28034 
1 1 1 -6  -27 64 o 23.901  8.3508  68.564     59.627   115.065    157.388  60.771     64.430   32.842  13.105  23.423  8.6196  9.418997       15.68563 
1 1 1 -6  -27 65 o 23.487  8.6947  61.065     65.730   0.0000     0.0000   61.065     65.730   ?       ?       23.487  8.6947  0.000000       8.694712 
1 1 1 -6  -26 1  f 192.629 4.6821  4511.50    218.841  4945.17    314.331  4103.56    304.861  201.482 6.4296  183.488 6.8475  17.99409       9.392972 
1 1 1 -6  -26 2  o 199.445 4.8843  4837.14    236.370  5046.33    338.486  4638.03    330.224  203.484 6.8556  195.062 6.9770  8.421555       9.781544 
1 1 1 -6  -26 3  o 145.848 4.1569  2584.98    147.108  2744.25    212.669  2438.85    203.704  150.153 5.8372  141.544 5.9312  8.608948       8.321797 
1 1 1 -6  -26 4  o 97.588  3.6928  1156.88    87.440   1259.46    128.093  1067.37    119.656  101.624 5.2123  93.524  5.2946  8.100639       7.429735 
1 1 1 -6  -26 5  o 163.675 4.3246  3255.90    171.749  3424.78    246.527  3096.63    239.408  167.723 6.0577  159.474 6.1871  8.249481       8.658843 
1 1 1 -6  -26 6  f 106.194 3.7236  1369.95    95.945   1376.24    139.715  1364.34    131.989  106.220 5.4391  105.914 5.1360  0.3064957      7.480806 
1 1 1 -6  -26 7  o 61.262  4.9937  459.404    73.583   0.0000     0.0000   459.404    73.583   ?       ?       61.262  4.9937  0.000000       4.993651 
1 1 1 -6  -26 8  o 206.787 7.0156  5212.08    352.008  0.0000     0.0000   5212.08    352.008  ?       ?       206.787 7.0156  0.000000       7.015604 
1 1 1 -6  -26 9  o 68.001  4.3057  564.233    70.676   590.660    154.599  557.251    79.467   68.845  9.5086  67.521  4.8834  1.323990       10.68932 
1 1 1 -6  -26 10 o 156.991 4.1732  2995.09    158.966  3243.53    227.425  2757.76    222.288  163.251 5.7414  150.501 6.0871  12.74982       8.367620 
1 1 1 -6  -26 11 o 240.924 5.4219  7061.96    316.954  6871.76    449.356  7250.27    447.133  237.297 7.8043  243.789 7.5589  -6.491974      10.86482 
1 1 1 -6  -26 12 o 179.082 4.4943  3898.41    195.290  3911.47    277.143  3885.52    275.230  179.206 6.3736  178.613 6.3507  0.5930634      8.997475 
1 1 1 -6  -26 13 o 28.344  4.6819  100.254    31.075   141.628    43.781   58.248     44.114   33.677  5.5513  22.208  7.1803  11.46948       9.075940 
1 1 1 -6  -26 14 o 88.486  3.4410  950.995    73.880   935.502    105.238  966.051    103.743  87.568  4.9735  89.005  4.8217  -1.437500      6.927089 
1 1 1 -6  -26 15 o 313.570 6.6576  11979.72   506.543  11843.03   717.171  12115.80   715.553  311.093 9.5010  314.692 9.3711  -3.598877      13.34493 
1 1 1 -6  -26 16 o 187.282 4.5957  4263.89    208.837  4100.92    296.125  4425.14    294.562  183.465 6.6521  190.613 6.3688  -7.148041      9.209343 
1 1 1 -6  -26 17 o 313.596 6.6355  11981.33   504.906  11826.96   714.916  12134.96   713.176  310.890 9.4773  314.953 9.3323  -4.062927      13.30077 
1 1 1 -6  -26 18 f 83.111  3.3974  838.945    68.512   809.369    97.618   867.655    96.179   81.432  4.9642  84.347  4.7184  -2.915329      6.848845 
1 1 1 -6  -26 19 o 41.914  5.6640  217.647    56.128   141.503    88.362   269.153    72.673   33.773  10.043  46.543  6.6218  -12.77018      12.02975 
1 1 1 -6  -26 20 o 186.378 6.4829  4231.30    293.173  4150.73    424.328  4304.88    405.529  183.923 9.5411  187.656 8.9063  -3.733047      13.05194 
1 1 1 -6  -26 21 o 252.136 7.9441  7759.35    486.005  7640.89    697.074  7871.40    677.956  249.377 11.520  253.243 11.033  -3.865448      15.95131 
1 1 1 -6  -26 22 o 158.669 5.8667  3064.38    225.866  3392.61    328.280  2769.32    311.245  166.702 8.1160  150.320 8.5689  16.38242       11.80232 
1 1 1 -6  -26 23 o 66.952  4.9778  548.093    80.287   562.988    121.981  536.708    106.644  67.521  7.5761  66.030  6.7512  1.491379       10.14771 
1 1 1 -6  -26 24 o 211.456 7.0425  5450.02    361.336  5052.75    520.198  5820.42    502.286  202.737 10.612  218.110 9.4910  -15.37292      14.23682 
1 1 1 -6  -26 25 o 52.647  3.6195  338.263    45.956   303.185    65.817   371.633    64.196   49.610  5.5636  55.073  4.8536  -5.463154      7.383117 
1 1 1 -6  -26 26 o 102.272 3.5852  1270.49    88.969   1273.76    126.851  1267.33    124.815  102.340 5.1084  102.085 5.0390  0.2551270      7.175421 
1 1 1 -6  -26 27 o 162.837 4.2450  3222.36    167.723  3262.70    238.590  3182.95    235.826  163.715 6.0062  161.702 6.0105  2.013565       8.497117 
1 1 1 -6  -26 28 o 95.780  3.4073  1114.19    79.187   1093.43    118.414  1130.98    106.504  94.676  5.1743  96.458  4.5506  -1.782059      6.890606 
1 1 1 -6  -26 29 o 148.046 4.0071  2663.09    143.943  2625.13    211.602  2695.80    196.382  146.854 5.9384  148.857 5.4371  -2.003662      8.051509 
1 1 1 -6  -26 30 o 202.105 4.8035  4966.45    235.556  4779.02    341.741  5136.10    325.132  197.994 7.1135  205.337 6.5257  -7.342194      9.653316 
1 1 1 -6  -26 31 f 183.342 4.3916  4085.75    195.365  4631.13    285.371  3604.66    268.022  195.034 6.0303  172.027 6.4211  23.00694       8.808778 
1 1 1 -6  -26 32 o 161.498 5.8296  3174.92    228.439  3190.30    337.898  3161.97    310.022  161.334 8.6634  160.937 7.9391  0.3967285      11.75093 
1 1 1 -6  -26 33 o 105.860 4.9823  1363.01    127.976  1275.49    195.568  1428.56    169.243  101.899 7.9734  108.089 6.4830  -6.190742      10.27636 
1 1 1 -6  -26 34 o 234.858 7.4989  6731.71    427.334  6530.56    621.780  6911.78    588.292  230.505 11.117  237.378 10.214  -6.871933      15.09678 
1 1 1 -6  -26 35 o 105.777 5.0375  1361.25    129.290  1512.30    200.609  1253.93    169.092  111.055 7.4884  101.161 6.9306  9.893623       10.20344 
1 1 1 -6  -26 36 o 129.170 3.8903  2027.83    121.929  1804.95    183.089  2205.45    163.446  121.538 6.2294  134.629 5.0035  -13.09167      7.990025 
1 1 1 -6  -26 37 o 80.150  3.5508  780.623    69.054   704.430    108.276  832.861    89.653   75.800  5.9344  82.628  4.4886  -6.827522      7.440759 
1 1 1 -6  -26 38 o 204.108 4.8113  5070.61    238.281  5306.29    349.340  4865.56    325.846  208.441 6.9072  199.632 6.7270  8.809875       9.641631 
1 1 1 -6  -26 39 o 269.480 5.8258  8857.08    380.931  9494.86    552.304  8278.42    526.088  278.300 8.1790  259.807 8.3453  18.49338       11.68506 
1 1 1 -6  -26 40 o 39.949  4.3351  196.536    41.347   235.700    69.435   175.019    51.466   43.385  6.8210  37.426  5.8596  5.958874       8.992276 
1 1 1 -6  -26 41 o 64.595  3.6980  509.270    57.719   549.984    91.579   482.440    74.343   66.870  5.6985  62.714  4.9252  4.155964       7.531983 
1 1 1 -6  -26 42 o 84.793  3.6808  875.054    75.731   832.876    118.630  904.065    98.387   82.300  5.9815  85.970  4.7348  -3.670509      7.628699 
1 1 1 -6  -26 43 o 68.573  3.8129  574.445    63.191   504.762    100.462  620.064    81.286   63.807  6.5835  71.123  4.7373  -7.316002      8.110721 
1 1 1 -6  -26 44 o 101.631 3.7610  1258.45    92.746   1274.05    144.828  1247.61    120.756  101.781 5.8896  101.039 4.9256  0.7419510      7.677763 
1 1 1 -6  -26 45 o 49.147  4.2523  296.995    50.210   303.694    82.454   293.046    63.299   49.130  7.1245  48.607  5.4616  0.5233650      8.977036 
1 1 1 -6  -26 46 o 17.631  6.1222  34.418     32.025   79.152     60.694   17.158     37.700   25.674  8.4296  16.168  6.4258  9.505562       10.59948 
1 1 1 -6  -26 47 o 56.530  5.6997  396.620    77.113   321.322    125.418  442.387    97.778   49.440  10.760  59.436  6.9089  -9.995407      12.78744 
1 1 1 -6  -26 48 o 78.658  5.4308  763.724    103.016  776.062    162.373  755.411    133.272  78.268  8.6970  77.743  7.1450  0.5250168      11.25565 
1 1 1 -6  -26 49 o 60.504  5.7544  454.733    83.461   443.162    134.125  462.044    106.618  58.474  9.8000  60.538  7.4133  -2.063553      12.28810 
1 1 1 -6  -26 50 o 35.679  5.5306  160.203    46.329   215.473    86.553   138.009    54.848   40.621  9.0168  32.732  7.1095  7.889027       11.48250 
1 1 1 -6  -26 51 o 38.528  5.1310  185.530    46.775   69.206     90.611   227.790    54.614   26.755  10.144  42.699  5.3915  -15.94402      11.48816 
1 1 1 -6  -26 52 o 66.669  4.1000  546.029    66.002   614.856    118.272  514.901    79.539   69.944  7.0658  64.505  5.1241  5.438744       8.728222 
1 1 1 -6  -26 53 o 27.848  7.8091  100.180    54.900   42.682     116.311  116.662    62.274   26.988  11.082  29.957  8.2876  -2.969189      13.83833 
1 1 1 -6  -26 54 o 63.932  5.7051  509.631    87.571   633.857    166.682  462.269    102.920  69.491  10.188  60.393  7.1630  9.097733       12.45405 
1 1 1 -6  -26 55 o 28.881  7.9110  108.914    57.072   305.123    123.807  55.968     64.313   47.411  10.979  23.219  8.5995  24.19109       13.94562 
1 1 1 -6  -26 56 o 66.254  4.4344  542.581    70.875   454.246    124.124  585.315    86.333   58.920  8.9649  68.584  5.2273  -9.663765      10.37758 
1 1 1 -6  -26 57 o 23.519  9.7017  31.378     89.639   31.378     89.639   0.0000     0.0000   23.519  9.7017  ?       ?       0.000000       9.701666 
1 1 1 -6  -26 58 o 22.723  9.5768  19.319     90.177   19.319     90.177   0.0000     0.0000   22.723  9.5768  ?       ?       0.000000       9.576810 
1 1 1 -6  -26 59 o 60.068  4.5793  448.558    66.241   578.712    125.860  398.694    77.903   66.794  7.9201  56.200  5.7961  10.59381       9.814444 
1 1 1 -6  -26 60 o 34.105  7.4967  153.742    60.345   -10.2131   132.321  196.798    67.807   25.057  11.073  38.693  7.4931  -13.63569      13.36970 
1 1 1 -6  -26 61 o 43.995  6.2844  247.889    65.180   83.548     137.591  295.439    74.011   30.187  12.180  48.005  6.5228  -17.81863      13.81656 
1 1 1 -6  -26 62 o 28.666  9.6977  104.617    80.219   37.687     154.373  129.376    93.892   28.944  12.377  31.412  10.492  -2.467300      16.22570 
1 1 1 -6  -26 63 o 21.916  8.7764  36.885     70.854   126.414    144.225  8.4027     81.347   33.091  12.737  21.008  8.9840  12.08266       15.58698 
1 1 1 -6  -26 64 o 44.515  7.5043  259.378    78.172   0.0000     0.0000   259.378    78.172   ?       ?       44.515  7.5043  0.000000       7.504255 
1 1 1 -6  -26 65 o 33.156  8.2636  148.163    66.244   -31.7098   170.339  180.214    71.904   27.031  12.207  36.597  8.2897  -9.565628      14.75554 
1 1 1 -6  -25 1  o 108.959 3.7971  1442.27    100.388  1534.59    147.030  1361.65    137.399  112.316 5.3951  105.663 5.3769  6.652733       7.616988 
1 1 1 -6  -25 2  o 234.679 5.3569  6699.37    305.035  7112.41    435.275  6300.77    427.595  241.511 7.4279  227.261 7.7543  14.24931       10.73790 
1 1 1 -6  -25 3  o 89.877  3.6212  981.187    78.970   1085.77    116.587  892.526    107.345  94.351  5.1116  85.508  5.1985  8.842896       7.290608 
1 1 1 -6  -25 4  o 116.838 3.7965  1658.37    107.630  1671.55    156.107  1646.42    148.595  117.217 5.4887  116.345 5.2637  0.8716660      7.604727 
1 1 1 -6  -25 5  o 194.773 4.7357  4612.01    223.807  4774.67    319.506  4455.31    313.598  197.979 6.6511  191.230 6.7585  6.748245       9.482377 
1 1 1 -6  -25 6  o 373.932 10.997  17154.62   997.806  0.0000     0.0000   17154.62   997.806  ?       ?       373.932 10.997  0.000000       10.99737 
1 1 1 -6  -25 7  o 161.670 6.0134  3181.74    235.891  0.0000     0.0000   3181.74    235.891  ?       ?       161.670 6.0134  0.000000       6.013380 
1 1 1 -6  -25 8  o 185.489 6.4930  4190.72    292.231  0.0000     0.0000   4190.72    292.231  ?       ?       185.489 6.4930  0.000000       6.492965 
1 1 1 -6  -25 9  o 221.720 5.1249  5978.72    275.712  6248.72    392.118  5714.71    387.751  226.411 7.1376  216.485 7.3818  9.926041       10.26822 
1 1 1 -6  -25 10 o 44.289  3.6833  239.913    39.223   184.046    56.003   293.704    54.952   38.395  6.2244  48.930  4.6859  -10.53518      7.791088 
1 1 1 -6  -25 11 o 180.988 4.5109  3981.40    198.096  4121.12    281.328  3843.99    278.985  183.975 6.3022  177.664 6.4717  6.311035       9.033294 
1 1 1 -6  -25 12 f 172.792 4.3498  3628.43    182.370  3679.13    258.809  3578.42    257.022  173.850 6.1354  171.450 6.1783  2.400192       8.707123 
1 1 1 -6  -25 13 f 232.687 5.2970  6584.97    299.066  6558.94    423.784  6610.80    422.107  231.933 7.5304  232.857 7.4708  -0.9243622     10.60754 
1 1 1 -6  -25 14 o 388.674 7.9639  18429.41   751.059  18696.27   1063.07  18163.47   1061.24  390.415 11.222  384.757 11.368  5.657959       15.97355 
1 1 1 -6  -25 15 o 349.649 7.2597  14900.11   615.909  14733.77   871.894  15065.79   870.163  346.871 10.359  350.799 10.223  -3.929047      14.55422 
1 1 1 -6  -25 16 o 350.630 7.2691  14983.98   618.433  15102.56   875.501  14865.89   873.696  351.212 10.274  348.431 10.334  2.781555       14.57204 
1 1 1 -6  -25 17 o 388.224 7.9574  18386.57   749.584  18172.07   1060.95  18600.37   1059.19  384.853 11.362  389.420 11.210  -4.566711      15.96063 
1 1 1 -6  -25 18 o 229.052 5.2242  6380.39    290.349  6431.08    411.329  6330.05    409.906  229.685 7.3806  227.869 7.4137  1.816208       10.46120 
1 1 1 -6  -25 19 o 172.760 4.3336  3627.00    181.657  3739.08    257.654  3516.21    256.156  175.269 6.0585  169.951 6.2118  5.318024       8.677117 
1 1 1 -6  -25 20 o 184.918 4.5164  4156.17    202.646  4205.73    287.609  4107.31    285.572  185.847 6.3780  183.656 6.4083  2.190659       9.041313 
1 1 1 -6  -25 21 o 47.222  5.3836  274.750    60.583   239.396    93.778   300.075    79.369   43.447  9.1831  49.162  6.8387  -5.715904      11.44977 
1 1 1 -6  -25 22 o 223.786 7.2890  6105.67    395.792  5787.38    568.474  6405.11    551.387  217.243 10.785  228.728 9.9351  -11.48462      14.66330 
1 1 1 -6  -25 23 o 190.250 6.5551  4408.76    302.599  4134.30    436.595  4662.48    419.780  183.519 9.8406  195.326 8.8572  -11.80775      13.23960 
1 1 1 -6  -25 24 o 151.274 5.7741  2784.85    211.940  2622.59    308.156  2930.50    291.956  146.257 8.7231  154.790 7.7984  -8.532516      11.70074 
1 1 1 -6  -25 25 o 372.355 10.880  17003.76   982.956  17211.40   1399.35  16801.52   1381.05  372.575 15.479  368.121 15.462  4.453888       21.87848 
1 1 1 -6  -25 26 o 195.148 4.6791  4629.45    221.560  4640.45    314.597  4618.62    312.083  195.182 6.6428  194.727 6.6051  0.4552917      9.367714 
1 1 1 -6  -25 27 o 118.562 3.5836  1707.38    103.092  1773.19    152.582  1652.11    139.839  120.747 5.2079  116.566 4.9442  4.181091       7.181009 
1 1 1 -6  -25 28 o 88.355  3.3511  948.076    71.844   975.075    107.990  926.638    96.229   89.410  4.9977  87.194  4.5642  2.216171       6.768285 
1 1 1 -6  -25 29 o 233.028 5.1894  6604.07    293.421  6789.50    423.054  6432.18    407.314  235.981 7.3885  229.699 7.3081  6.281296       10.39223 
1 1 1 -6  -25 30 o 123.590 3.7490  1855.51    112.427  1647.48    166.796  2028.71    152.196  116.193 5.9360  129.174 4.8558  -12.98051      7.669097 
1 1 1 -6  -25 31 f 399.230 8.1335  19455.47   787.890  19598.63   1123.36  19316.86   1105.35  399.441 11.590  396.603 11.486  2.837982       16.31790 
1 1 1 -6  -25 32 o 183.636 4.4746  4098.95    199.377  4278.62    291.366  3940.75    273.413  187.432 6.4067  179.895 6.2638  7.537216       8.959922 
1 1 1 -6  -25 33 o 229.713 7.3045  6434.93    407.137  6541.04    592.694  6340.12    560.233  230.948 10.577  227.470 10.150  3.478287       14.65936 
1 1 1 -6  -25 34 o 287.151 8.7159  10079.62   607.278  10064.74   876.972  10093.32   841.751  285.750 12.648  286.341 12.115  -0.5915833     17.51467 
1 1 1 -6  -25 35 o 190.332 6.3252  4413.35    292.111  5093.98    432.086  3840.42    396.428  204.099 8.7250  176.891 9.2685  27.20839       12.72911 
1 1 1 -6  -25 36 o 282.928 8.5399  9789.73    586.266  10278.98   849.871  9345.55    809.791  288.740 12.131  275.320 12.122  13.41898       17.14911 
1 1 1 -6  -25 37 o 40.029  4.2786  197.022    40.913   238.603    67.220   172.556    51.563   43.764  6.5300  37.183  5.9132  6.581303       8.809414 
1 1 1 -6  -25 38 o 112.177 3.8078  1529.51    103.643  1264.89    158.178  1728.59    137.197  101.634 6.4476  119.192 4.7439  -17.55827      8.004751 
1 1 1 -6  -25 39 o 122.896 3.7696  1836.11    112.408  2078.68    171.681  1654.09    148.719  130.620 5.4169  116.533 5.2596  14.08723       7.550220 
1 1 1 -6  -25 40 o 155.969 4.1855  2959.80    158.399  3141.16    236.988  2813.37    212.954  160.419 6.0884  151.864 5.7792  8.555038       8.394526 
1 1 1 -6  -25 41 o 106.111 3.7185  1369.58    95.739   1423.22    147.750  1330.77    125.698  107.836 5.6666  104.490 4.9578  3.346046       7.529280 
1 1 1 -6  -25 42 o 29.465  5.5730  109.486    38.384   92.274     63.078   119.606    48.370   27.441  8.5518  30.666  6.6890  -3.225025      10.85707 
1 1 1 -6  -25 43 o 119.470 3.8970  1738.16    112.966  1712.83    172.797  1757.06    149.287  118.132 6.0487  119.952 5.1292  -1.819969      7.930640 
1 1 1 -6  -25 44 o 72.228  3.7350  637.102    65.235   629.727    105.271  641.699    83.117   71.411  6.1350  72.342  4.7618  -0.9304199     7.766162 
1 1 1 -6  -25 45 o 41.322  4.3622  210.687    43.076   173.541    75.367   228.709    52.495   36.677  8.6153  42.939  5.1407  -6.262314      10.03250 
1 1 1 -6  -25 46 o 88.290  3.6959  950.291    79.177   1066.66    128.731  879.482    100.417  93.056  5.7291  84.643  4.9105  8.413574       7.545594 
1 1 1 -6  -25 47 o 74.461  5.4623  683.959    98.001   680.202    153.360  686.551    127.408  73.308  8.7974  74.165  7.1694  -0.8568802     11.34882 
1 1 1 -6  -25 48 o 105.733 5.5296  1377.24    141.369  1442.87    217.395  1329.16    186.088  107.173 8.4279  103.217 7.4810  3.956184       11.26919 
1 1 1 -6  -25 49 o 85.285  5.4659  897.595    112.514  876.642    176.841  911.846    145.841  83.136  8.9052  85.474  7.0962  -2.338051      11.38680 
1 1 1 -6  -25 50 o 18.624  6.4082  39.219     35.048   -2.8587    68.695   54.026     40.751   19.058  8.2051  21.205  6.9046  -2.146858      10.72369 
1 1 1 -6  -25 51 f 53.114  4.3653  347.652    55.761   282.489    102.722  374.876    66.394   46.512  9.4248  55.033  5.0277  -8.520760      10.68200 
1 1 1 -6  -25 52 o 77.689  4.0316  740.247    75.736   812.445    131.246  704.203    92.733   80.630  6.7711  75.525  5.0901  5.105812       8.470966 
1 1 1 -6  -25 53 o 12.457  5.5826  -15.1162   34.864   -11.3766   78.986   -16.0211   38.853   19.824  8.6636  13.201  5.9063  6.622545       10.48533 
1 1 1 -6  -25 54 o 70.862  5.6402  624.471    96.175   703.205    179.402  592.719    113.929  73.225  10.389  68.596  6.9405  4.629288       12.49365 
1 1 1 -6  -25 55 o 29.420  7.9796  113.048    58.404   179.586    114.008  89.374     68.005   36.761  11.504  26.920  8.9269  9.840759       14.56105 
1 1 1 -6  -25 56 o 65.153  8.2325  547.036    127.241  547.036    127.241  0.0000     0.0000   65.153  8.2325  ?       ?       0.000000       8.232485 
1 1 1 -6  -25 57 o 32.056  10.668  132.505    97.087   132.505    97.087   0.0000     0.0000   32.056  10.668  ?       ?       0.000000       10.66799 
1 1 1 -6  -25 58 o 24.215  7.2019  75.502     45.435   204.515    95.743   38.004     51.617   38.730  10.088  20.068  7.6451  18.66205       12.65751 
1 1 1 -6  -25 59 o 20.830  7.1730  51.077     43.917   60.577     100.135  48.814     48.868   26.320  10.469  20.962  7.5371  5.358393       12.89966 
1 1 1 -6  -25 60 o 44.836  6.2345  256.807    65.990   355.388    137.453  227.279    75.227   50.336  11.505  41.585  7.7402  8.750320       13.86651 
1 1 1 -6  -25 61 o 52.839  5.8670  353.283    73.950   385.320    154.273  343.726    84.262   51.913  12.415  51.719  6.8857  0.1945953      14.19664 
1 1 1 -6  -25 62 o 77.863  4.9689  754.865    93.386   824.477    184.678  730.951    108.244  78.554  9.9096  76.217  5.8991  2.336929       11.53253 
1 1 1 -6  -25 63 o 51.455  9.5036  356.097    114.281  0.0000     0.0000   356.097    114.281  ?       ?       51.455  9.5036  0.000000       9.503583 
1 1 1 -6  -25 64 o 43.494  7.5414  247.710    76.702   0.0000     0.0000   247.710    76.702   ?       ?       43.494  7.5414  0.000000       7.541370 
1 1 1 -6  -25 65 o 34.931  7.3820  161.448    60.609   205.168    114.707  144.515    71.388   38.101  11.469  32.659  8.8071  5.442921       14.46007 
1 1 1 -6  -24 1  o 97.378  3.6703  1151.82    86.721   1304.93    127.722  1020.85    118.123  103.592 5.0813  91.458  5.3462  12.13328       7.375737 
1 1 1 -6  -24 2  o 400.219 8.2605  19551.40   802.169  21093.77   1137.46  18025.31   1131.44  414.605 11.307  382.918 12.178  31.68741       16.61736 
1 1 1 -6  -24 3  o 79.544  3.5620  768.497    68.749   829.140    101.813  717.672    93.208   82.415  5.1167  76.660  5.0390  5.754700       7.181363 
1 1 1 -6  -24 4  o 163.904 4.3002  3264.68    171.020  3494.17    244.931  3046.36    238.898  169.436 5.9576  158.183 6.2243  11.25262       8.615986 
1 1 1 -6  -24 5  o 205.708 6.9382  5156.39    346.310  0.0000     0.0000   5156.39    346.310  ?       ?       205.708 6.9382  0.000000       6.938242 
1 1 1 -6  -24 6  o 347.327 10.280  14775.63   866.324  0.0000     0.0000   14775.63   866.324  ?       ?       347.327 10.280  0.000000       10.27964 
1 1 1 -6  -24 7  o 242.390 7.7355  7165.76    454.951  0.0000     0.0000   7165.76    454.951  ?       ?       242.390 7.7355  0.000000       7.735456 
1 1 1 -6  -24 8  o 116.894 3.7352  1659.75    105.942  1738.64    152.478  1586.13    147.305  119.570 5.2556  114.202 5.3160  5.367699       7.475341 
1 1 1 -6  -24 9  o 190.776 4.6156  4423.39    213.656  4368.81    303.236  4477.21    301.086  189.420 6.5977  191.769 6.4707  -2.348740      9.241149 
1 1 1 -6  -24 10 o 110.831 3.5880  1491.79    96.489   1516.13    137.042  1467.85    135.876  111.674 5.0575  109.880 5.0964  1.794418       7.179934 
1 1 1 -6  -24 11 o 191.876 4.6340  4474.11    215.746  4631.52    306.166  4318.85    304.067  195.067 6.4686  188.350 6.6534  6.717133       9.279536 
1 1 1 -6  -24 12 o 230.849 5.2382  6478.93    293.411  6498.35    415.924  6459.69    413.975  230.951 7.4221  230.265 7.4094  0.6863098      10.48748 
1 1 1 -6  -24 13 o 206.638 4.8658  5189.54    243.965  5122.84    345.762  5255.66    344.281  205.117 6.9472  207.771 6.8291  -2.654648      9.741701 
1 1 1 -6  -24 14 o 220.786 5.0679  5925.25    271.496  5878.00    384.815  5972.09    383.097  219.689 7.2191  221.450 7.1297  -1.761749      10.14627 
1 1 1 -6  -24 15 o 104.118 3.5109  1316.38    88.698   1318.90    126.148  1313.92    124.739  104.169 4.9909  103.974 4.9444  0.1949768      7.025390 
1 1 1 -6  -24 16 o 224.217 5.1099  6111.05    277.998  6128.29    393.940  6093.95    392.363  224.315 7.2378  223.686 7.2291  0.6284637      10.22967 
1 1 1 -6  -24 17 o 206.438 4.8389  5179.40    242.382  5276.48    343.597  5083.23    341.970  208.185 6.8020  204.327 6.8976  3.857895       9.687282 
1 1 1 -6  -24 18 o 230.242 5.2080  6444.71    290.950  6521.81    412.306  6368.23    410.629  231.379 7.3440  228.631 7.4020  2.748016       10.42711 
1 1 1 -6  -24 19 o 180.420 4.4219  3955.21    193.580  3951.96    274.372  3958.44    273.159  180.206 6.2749  180.357 6.2419  -0.1505737     8.850755 
1 1 1 -6  -24 20 o 114.425 3.5979  1590.12    99.892   1519.87    142.503  1657.99    140.065  111.803 5.2530  116.788 4.9428  -4.984634      7.212810 
1 1 1 -6  -24 21 o 184.965 4.5154  4157.69    202.654  4164.50    287.752  4150.99    285.454  184.957 6.4118  184.661 6.3708  0.2961578      9.038763 
1 1 1 -6  -24 22 o 120.271 5.2340  1759.04    152.742  1688.10    224.042  1820.64    208.785  117.382 7.9123  122.037 7.0813  -4.655014      10.61838 
1 1 1 -6  -24 23 o 252.783 7.9330  7795.23    486.571  7516.41    696.527  8060.97    680.001  247.445 11.601  256.421 10.929  -8.975830      15.93838 
1 1 1 -6  -24 24 o 347.884 10.224  14820.33   863.023  15188.85   1229.18  14462.06   1212.00  350.562 14.451  342.004 14.605  8.557648       20.54583 
1 1 1 -6  -24 25 o 212.107 6.9625  5482.03    358.332  5644.30    515.207  5329.98    498.711  214.747 9.8876  208.689 9.8488  6.057877       13.95580 
1 1 1 -6  -24 26 o 156.166 5.8113  2967.68    220.203  3170.77    319.802  2784.59    303.652  160.972 8.2151  150.806 8.3307  10.16632       11.69995 
1 1 1 -6  -24 27 o 84.894  3.2768  875.194    67.499   1130.14    101.615  673.872    90.299   96.435  4.3427  74.275  5.0403  22.16057       6.653101 
1 1 1 -6  -24 28 o 398.293 8.1730  19359.39   789.852  18545.58   1124.86  20150.91   1109.34  388.546 11.931  405.280 11.281  -16.73425      16.42006 
1 1 1 -6  -24 29 o 103.151 3.4619  1292.23    86.647   1308.74    129.543  1278.87    116.558  103.742 5.1463  102.572 4.6833  1.170021       6.958282 
1 1 1 -6  -24 30 o 63.119  3.3580  485.194    51.244   509.351    79.208   467.805    67.203   64.521  5.1011  61.877  4.5070  2.643375       6.806907 
1 1 1 -6  -24 31 o 257.559 5.6147  8070.59    350.888  8401.81    505.199  7761.89    487.723  262.424 7.9340  252.226 7.9693  10.19785       11.24538 
1 1 1 -6  -24 32 o 208.698 5.0024  5296.08    253.316  4637.91    367.354  5892.78    349.777  194.990 7.7644  219.963 6.5535  -24.97350      10.16047 
1 1 1 -6  -24 33 o 229.031 7.4369  6396.40    413.284  5863.07    601.790  6872.47    568.567  218.239 11.404  236.938 9.8897  -18.69936      15.09498 
1 1 1 -6  -24 34 o 167.581 6.0437  3418.91    245.747  3317.25    365.369  3502.89    332.089  164.446 9.1936  169.396 8.0796  -4.949478      12.23936 
1 1 1 -6  -24 35 o 155.166 5.6594  2930.23    213.074  3463.45    320.595  2508.33    285.169  168.450 7.8437  143.075 8.2494  25.37486       11.38313 
1 1 1 -6  -24 36 o 179.599 6.2800  3929.33    273.668  4059.29    407.721  3822.78    369.190  181.877 9.2697  176.830 8.6046  5.047028       12.64775 
1 1 1 -6  -24 37 o 175.684 4.3815  3752.53    186.773  4016.12    276.268  3530.63    253.475  181.547 6.2716  170.236 6.1365  11.31070       8.774346 
1 1 1 -6  -24 38 o 118.753 3.8478  1713.96    110.871  1469.94    168.306  1901.04    147.364  109.625 6.3547  125.000 4.8587  -15.37505      7.999277 
1 1 1 -6  -24 39 o 116.445 3.8209  1648.25    107.957  1544.32    164.357  1727.11    143.175  112.388 6.0493  119.119 4.9536  -6.730576      7.818712 
1 1 1 -6  -24 40 o 115.727 3.8092  1628.40    106.962  1609.63    163.059  1642.58    141.711  114.736 5.8768  116.135 5.0289  -1.398918      7.734789 
1 1 1 -6  -24 41 o 64.598  3.9134  509.475    61.049   376.688    95.895   599.969    79.165   54.984  7.3736  70.033  4.6857  -15.04914      8.736476 
1 1 1 -6  -24 42 o 123.343 3.9121  1851.44    117.083  1892.91    178.581  1820.18    155.060  124.470 5.9130  122.148 5.2317  2.321167       7.895243 
1 1 1 -6  -24 43 o 138.129 3.9666  2323.25    132.942  2653.22    202.778  2074.51    176.057  147.331 5.6724  130.293 5.5689  17.03709       7.949102 
1 1 1 -6  -24 44 o 102.214 3.7380  1272.26    92.707   1304.96    144.952  1249.63    120.597  103.087 5.8188  101.164 4.9130  1.923103       7.615489 
1 1 1 -6  -24 45 o 176.033 4.5854  3783.36    195.854  3667.60    294.111  3875.60    262.531  172.585 7.0233  177.737 6.0875  -5.151917      9.294331 
1 1 1 -6  -24 46 o 146.574 4.2087  2622.03    149.682  2629.45    229.278  2616.53    197.602  146.191 6.4637  146.092 5.5744  0.9878540E-01  8.535413 
1 1 1 -6  -24 47 o 21.697  7.1431  55.827     43.571   27.440     64.619   79.493     59.000   20.885  8.3751  25.617  8.3061  -4.731281      11.79545 
1 1 1 -6  -24 48 o 68.397  5.4833  577.977    90.237   684.753    144.081  509.066    115.748  73.722  8.1933  63.607  7.6533  10.11465       11.21177 
1 1 1 -6  -24 49 o 40.785  6.6012  210.490    63.093   221.943    106.566  204.308    78.290   41.033  10.621  39.742  8.3826  1.291409       13.53037 
1 1 1 -6  -24 50 o 96.601  3.9080  1139.83    91.601   1066.95    149.037  1184.07    116.123  92.637  6.6752  98.274  4.8699  -5.636765      8.262802 
1 1 1 -6  -24 51 o 113.519 4.0679  1575.46    112.048  1639.46    181.709  1536.19    142.329  114.931 6.5430  111.812 5.2462  3.119400       8.386457 
1 1 1 -6  -24 52 o 74.183  4.0626  675.045    72.848   740.170    127.249  643.295    88.848   76.925  6.8905  72.181  5.1059  4.744431       8.576093 
1 1 1 -6  -24 53 o 26.867  6.8097  93.137     44.451   206.320    86.735   52.821     51.766   39.615  9.1998  21.896  7.7696  17.71869       12.04166 
1 1 1 -6  -24 54 o 58.023  6.0222  421.184    83.549   529.652    157.570  378.761    98.542   63.338  10.629  54.478  7.6669  8.859478       13.10601 
1 1 1 -6  -24 55 o 24.668  10.546  10.564     112.051  10.564     112.051  0.0000     0.0000   24.668  10.546  ?       ?       0.000000       10.54641 
1 1 1 -6  -24 56 o 61.385  8.5663  488.044    124.115  488.044    124.115  0.0000     0.0000   61.385  8.5663  ?       ?       0.000000       8.566340 
1 1 1 -6  -24 57 o 57.604  4.6600  411.677    64.576   423.928    122.177  406.928    76.069   56.751  9.1865  57.000  5.5713  -0.2490044     10.74390 
1 1 1 -6  -24 58 o 14.733  6.3680  -2.9009    41.704   -33.7103   97.052   4.0764     46.185   20.611  9.2694  16.086  6.8206  4.524973       11.50836 
1 1 1 -6  -24 59 o 42.049  5.4448  223.340    54.247   244.326    108.870  216.409    62.568   42.085  10.652  41.046  6.4987  1.038708       12.47790 
1 1 1 -6  -24 60 o 14.396  6.5937  -32.4791   51.938   -8.7170    120.564  -37.8936   57.552   24.144  10.624  15.015  6.9005  9.128911       12.66810 
1 1 1 -6  -24 61 o 48.978  6.1057  304.857    70.985   247.586    149.240  321.602    80.698   41.641  13.180  50.053  6.8223  -8.412556      14.84098 
1 1 1 -6  -24 62 o 78.978  4.8072  774.849    91.683   696.023    160.348  813.136    111.752  72.554  9.3241  80.509  5.7587  -7.955238      10.95911 
1 1 1 -6  -24 63 o 25.373  9.7020  65.178     83.321   0.0000     0.0000   65.178     83.321   ?       ?       25.373  9.7020  0.000000       9.701979 
1 1 1 -6  -24 64 o 32.904  9.6993  146.372    82.705   334.859    149.632  63.459     99.241   48.181  12.641  26.392  10.446  21.78878       16.39848 
1 1 1 -6  -24 65 o 52.347  5.8337  347.581    72.838   304.974    136.024  364.710    86.244   46.042  12.040  53.219  6.8369  -7.177570      13.84533 
1 1 1 -6  -23 1  o 289.789 6.2828  10223.49   441.773  10696.15   627.991  9760.44    621.580  295.933 8.7457  282.622 9.0641  13.31027       12.59550 
1 1 1 -6  -23 2  o 326.354 6.9201  12976.46   547.985  13509.59   777.694  12450.73   772.271  332.329 9.6444  318.947 9.9790  13.38153       13.87788 
1 1 1 -6  -23 3  o 214.016 5.0142  5569.24    260.384  5731.59    370.886  5411.44    365.648  216.878 7.0479  210.720 7.1514  6.157883       10.04073 
1 1 1 -6  -23 4  o 234.481 7.6065  6703.97    432.768  0.0000     0.0000   6703.97    432.768  ?       ?       234.481 7.6065  0.000000       7.606479 
1 1 1 -6  -23 5  o 220.914 7.2141  5946.72    386.694  0.0000     0.0000   5946.72    386.694  ?       ?       220.914 7.2141  0.000000       7.214067 
1 1 1 -6  -23 6  o 355.941 10.535  15507.73   909.879  0.0000     0.0000   15507.73   909.879  ?       ?       355.941 10.535  0.000000       10.53516 
1 1 1 -6  -23 7  o 258.455 5.6621  8123.93    355.078  8468.61    504.086  7784.48    500.248  263.579 7.8819  252.666 8.1597  10.91336       11.34480 
1 1 1 -6  -23 8  o 322.852 6.8016  12688.17   532.816  12335.74   754.581  13038.62   752.454  317.767 9.7866  326.762 9.4904  -8.995056      13.63254 
1 1 1 -6  -23 9  o 247.405 5.4780  7441.34    328.849  7656.16    466.220  7228.63    463.915  250.702 7.6643  243.577 7.8494  7.124313       10.97060 
1 1 1 -6  -23 10 o 94.384  3.4766  1081.64    79.619   1094.83    113.431  1068.82    111.785  94.790  4.9489  93.656  4.9365  1.134499       6.990070 
1 1 1 -6  -23 11 o 265.884 5.7794  8595.00    372.858  8524.81    528.174  8664.73    526.431  264.507 8.2295  266.682 8.1355  -2.174866      11.57201 
1 1 1 -6  -23 12 o 274.933 5.9379  9190.49    396.117  9183.56    560.997  9197.37    559.396  274.526 8.4220  274.737 8.3915  -0.2106934     11.88891 
1 1 1 -6  -23 13 o 512.871 10.198  32113.97   1269.08  32116.79   1795.62  32111.15   1793.90  511.263 14.475  511.223 14.462  0.3924561E-01  20.46113 
1 1 1 -6  -23 14 f 413.689 8.3813  20850.56   841.295  20950.36   1190.69  20751.07   1188.85  413.804 11.859  411.820 11.898  1.984100       16.79827 
1 1 1 -6  -23 15 o 416.045 8.4123  21089.42   849.219  21159.91   1201.79  21019.12   1200.17  415.853 11.910  414.460 11.934  1.392853       16.86068 
1 1 1 -6  -23 16 o 517.265 10.283  32670.04   1290.56  32836.18   1825.82  32504.15   1824.43  516.919 14.557  514.270 14.621  2.648926       20.63189 
1 1 1 -6  -23 17 o 274.329 5.9147  9149.96    393.704  9149.17    557.542  9150.74    556.024  274.017 8.3856  274.044 8.3620  -0.2685547E-01 11.84237 
1 1 1 -6  -23 18 o 262.349 5.7099  8367.52    363.472  8115.92    514.714  8617.77    513.343  258.087 8.2193  265.983 7.9541  -7.896118      11.43785 
1 1 1 -6  -23 19 o 92.212  3.4289  1032.41    76.719   1008.66    109.386  1055.40    107.628  90.971  4.9744  93.077  4.7818  -2.105743      6.900028 
1 1 1 -6  -23 20 o 248.936 5.4837  7533.73    331.228  7296.07    469.469  7769.28    467.391  244.704 7.9068  252.553 7.6272  -7.848679      10.98598 
1 1 1 -6  -23 21 o 320.644 6.7491  12514.52   525.090  12552.95   743.731  12476.32   741.453  320.604 9.5605  319.624 9.5605  0.9800720      13.52062 
1 1 1 -6  -23 22 o 240.339 5.3591  7023.11    312.519  7084.02    443.198  6962.87    440.751  241.116 7.5754  239.042 7.5990  2.073898       10.72994 
1 1 1 -6  -23 23 o 362.042 10.612  16045.42   932.255  15827.32   1326.50  16258.28   1310.46  357.861 15.277  362.870 14.884  -5.008545      21.32836 
1 1 1 -6  -23 24 o 225.124 7.2150  6175.38    394.112  6568.94    565.403  5803.44    549.647  231.714 10.056  217.731 10.404  13.98341       14.46977 
1 1 1 -6  -23 25 o 242.873 7.6541  7192.52    451.060  7285.56    645.796  7103.89    630.278  243.805 10.917  240.775 10.788  3.030243       15.34803 
1 1 1 -6  -23 26 o 218.510 7.0898  5818.19    375.899  6020.66    539.609  5627.31    523.941  221.794 10.027  214.418 10.071  7.375702       14.21113 
1 1 1 -6  -23 27 o 317.758 9.4958  12346.19   732.132  12241.38   1043.74  12447.71   1027.24  315.095 13.652  317.862 13.319  -2.767090      19.07255 
1 1 1 -6  -23 28 o 302.635 6.3826  11150.57   468.681  11005.47   670.612  11289.10   655.285  300.091 9.2099  304.011 8.8834  -3.919250      12.79593 
1 1 1 -6  -23 29 o 197.316 4.6490  4732.20    222.581  4723.30    322.514  4740.29    307.570  196.929 6.7496  197.319 6.4241  -0.3901215     9.318025 
1 1 1 -6  -23 30 o 143.989 3.9467  2518.68    137.889  2360.60    202.585  2655.14    188.216  139.276 5.9947  147.762 5.2496  -8.486526      7.968370 
1 1 1 -6  -23 31 o 201.571 4.7643  4938.97    233.020  4899.21    337.976  4974.99    321.705  200.538 6.9459  202.128 6.5595  -1.590118      9.553604 
1 1 1 -6  -23 32 o 268.946 5.9120  8802.06    385.802  8413.83    554.890  9165.35    536.774  262.482 8.7125  274.082 8.0714  -11.59937      11.87665 
1 1 1 -6  -23 33 o 80.923  4.7795  798.848    93.430   890.489    178.564  764.301    109.635  84.938  8.7914  79.048  5.7556  5.890259       10.50790 
1 1 1 -6  -23 34 o 176.444 6.0847  3789.72    260.501  4271.38    386.903  3390.30    352.328  187.019 8.5261  166.362 8.7592  20.65729       12.22367 
1 1 1 -6  -23 35 o 138.979 5.4788  2349.94    184.754  2496.48    279.841  2236.71    245.984  142.781 8.1110  135.214 7.5274  7.567062       11.06573 
1 1 1 -6  -23 36 o 76.634  5.0161  717.294    92.758   689.123    150.568  734.526    117.758  74.635  8.4640  77.402  6.3254  -2.767395      10.56642 
1 1 1 -6  -23 37 o 217.450 7.0547  5766.56    372.222  6158.99    548.523  5431.61    506.757  224.120 10.087  210.506 9.9214  13.61378       14.14836 
1 1 1 -6  -23 38 o 258.089 5.7461  8111.50    359.836  8074.20    521.601  8145.36    497.054  256.958 8.3659  258.190 7.9341  -1.232300      11.52990 
1 1 1 -6  -23 39 o 202.860 5.6511  5012.61    278.161  4241.17    501.062  5356.27    334.427  185.196 11.203  209.550 6.5773  -24.35466      12.99134 
1 1 1 -6  -23 40 o 94.522  4.2005  1086.63    96.338   808.436    183.770  1192.06    113.129  80.561  9.5897  98.969  4.7110  -18.40804      10.68436 
1 1 1 -6  -23 41 o 127.628 4.0197  1981.43    124.482  1697.96    189.409  2196.96    165.160  117.690 6.6601  134.285 5.0689  -16.59462      8.369621 
1 1 1 -6  -23 42 o 26.058  5.7906  86.143     35.662   -24.4261   63.517   137.044    43.096   17.059  7.5977  33.068  5.5691  -16.00858      9.420164 
1 1 1 -6  -23 43 o 170.836 4.3816  3555.75    181.625  3888.84    272.648  3290.02    243.525  178.257 6.3036  164.000 6.1198  14.25684       8.785633 
1 1 1 -6  -23 44 o 98.346  3.7117  1177.50    88.572   1303.11    139.931  1093.53    114.408  103.078 5.6160  94.510  5.0069  8.568474       7.523822 
1 1 1 -6  -23 45 o 102.299 3.7304  1274.72    92.596   1504.63    146.537  1121.91    119.470  110.891 5.4461  95.659  5.1663  15.23161       7.506754 
1 1 1 -6  -23 46 o 148.790 4.2755  2701.76    154.358  2622.61    236.021  2760.92    204.043  145.982 6.6633  150.094 5.6027  -4.112061      8.705681 
1 1 1 -6  -23 47 o 147.295 4.2898  2649.48    153.316  2507.52    234.925  2754.80    202.347  142.593 6.7900  149.859 5.5648  -7.265823      8.778999 
1 1 1 -6  -23 48 o 69.466  5.4732  595.793    91.505   637.592    145.555  568.477    117.665  71.000  8.6262  67.384  7.3140  3.615196       11.30958 
1 1 1 -6  -23 49 o 73.679  5.5508  670.619    98.505   632.305    154.430  696.902    127.904  70.414  9.2636  74.686  7.1452  -4.271591      11.69902 
1 1 1 -6  -23 50 o 138.271 4.2660  2337.79    143.126  2191.67    223.515  2439.34    186.339  132.852 6.9581  140.895 5.4506  -8.043304      8.838769 
1 1 1 -6  -23 51 o 87.239  4.0023  930.017    84.721   973.367    144.014  907.075    104.767  88.419  6.7640  85.830  5.0529  2.589249       8.442937 
1 1 1 -6  -23 52 o 148.563 4.3948  2702.46    158.421  2920.50    249.867  2555.90    204.859  153.505 6.7084  143.963 5.8646  9.542206       8.910510 
1 1 1 -6  -23 53 o 77.317  4.0776  733.455    76.226   848.981    133.443  677.500    92.869   82.440  6.7297  74.039  5.2025  8.401527       8.506214 
1 1 1 -6  -23 54 o 30.552  7.9195  121.542    59.193   308.320    126.096  68.750     67.038   47.923  11.067  24.810  8.8377  23.11380       14.16306 
1 1 1 -6  -23 55 o 31.700  11.992  106.560    126.447  106.560    126.447  0.0000     0.0000   31.700  11.992  ?       ?       0.000000       11.99224 
1 1 1 -6  -23 56 o 50.216  9.6322  334.086    113.094  334.086    113.094  0.0000     0.0000   50.216  9.6322  ?       ?       0.000000       9.632217 
1 1 1 -6  -23 57 o 33.319  6.2109  142.601    48.365   93.346     98.886   158.089    55.450   28.900  10.671  34.966  6.7803  -6.066849      12.64306 
1 1 1 -6  -23 58 o 31.625  6.8084  130.242    50.698   216.802    108.334  105.969    57.367   39.746  10.904  28.417  7.9876  11.32871       13.51701 
1 1 1 -6  -23 59 o 38.580  5.8061  189.434    52.667   60.952     106.974  230.541    60.508   26.935  10.785  42.564  6.0272  -15.62946      12.35459 
1 1 1 -6  -23 60 o 49.354  5.2579  305.750    61.995   220.335    124.733  333.773    71.445   39.707  11.961  51.399  5.8319  -11.69190      13.30697 
1 1 1 -6  -23 61 o 38.354  7.0956  191.460    63.602   8.8233     137.381  241.283    71.754   26.463  11.498  43.167  7.0974  -16.70400      13.51182 
1 1 1 -6  -23 62 f 82.901  5.8389  862.058    116.700  0.0000     0.0000   862.058    116.700  ?       ?       82.901  5.8389  0.000000       5.838885 
1 1 1 -6  -23 63 f 34.350  10.839  159.080    100.988  0.0000     0.0000   159.080    100.988  ?       ?       34.350  10.839  0.000000       10.83866 
1 1 1 -6  -23 64 f 12.391  6.0683  -114.4381  61.454   -158.6718  128.827  -101.4075  69.922   19.546  9.3818  14.126  6.8129  5.419765       11.59456 
1 1 1 -6  -23 65 o 27.997  8.1606  103.839    58.838   0.5677     128.829  131.058    66.139   25.170  11.031  31.231  8.5003  -6.061052      13.92587 
1 1 1 -6  -22 1  o 41.815  3.8483  214.189    38.606   265.502    58.119   173.670    51.647   46.431  5.2511  37.327  5.8983  9.103680       7.897051 
1 1 1 -6  -22 2  f 121.469 3.7488  1792.16    110.489  1766.68    158.742  1816.11    153.881  120.524 5.4282  122.212 5.1893  -1.687752      7.509597 
1 1 1 -6  -22 3  o 260.576 8.0792  8280.88    510.817  0.0000     0.0000   8280.88    510.817  ?       ?       260.576 8.0792  0.000000       8.079186 
1 1 1 -6  -22 4  o 248.153 7.8784  7506.01    474.375  0.0000     0.0000   7506.01    474.375  ?       ?       248.153 7.8784  0.000000       7.878412 
1 1 1 -6  -22 5  o 351.217 10.317  15078.19   879.243  0.0000     0.0000   15078.19   879.243  ?       ?       351.217 10.317  0.000000       10.31739 
1 1 1 -6  -22 6  o 150.727 4.0598  2759.24    148.478  2988.81    211.857  2537.63    208.151  156.797 5.5685  144.458 5.9384  12.33902       8.140853 
1 1 1 -6  -22 7  o 64.142  3.3515  500.845    51.980   502.560    74.535   499.222    72.528   64.135  4.8250  63.931  4.7087  0.2037697      6.741823 
1 1 1 -6  -22 8  o 205.039 4.8464  5107.37    241.110  4889.94    341.898  5322.48    340.072  200.478 7.0286  209.184 6.7001  -8.705811      9.710396 
1 1 1 -6  -22 9  o 210.645 4.8958  5390.15    250.231  5372.46    354.891  5407.65    352.879  210.158 6.9596  210.851 6.8974  -0.6921387     9.798485 
1 1 1 -6  -22 10 o 322.727 6.7657  12665.93   529.800  12622.94   750.251  12708.69   748.254  321.791 9.6088  322.891 9.5506  -1.100403      13.54777 
1 1 1 -6  -22 11 o 171.257 4.2955  3561.47    178.494  3635.09    253.145  3488.69    251.718  172.940 6.0327  169.417 6.1234  3.522995       8.595897 
1 1 1 -6  -22 12 o 196.489 4.6404  4688.85    221.238  4846.75    313.688  4532.56    312.074  199.671 6.4747  193.079 6.6613  6.591782       9.289466 
1 1 1 -6  -22 13 o 389.531 7.8928  18463.44   745.997  18437.31   1055.92  18489.47   1054.08  388.670 11.197  389.227 11.161  -0.5567932     15.80929 
1 1 1 -6  -22 14 o 418.386 8.4167  21308.38   854.437  21160.51   1209.14  21455.88   1207.58  416.216 11.973  419.134 11.874  -2.918152      16.86236 
1 1 1 -6  -22 15 f 393.970 8.0073  18888.34   765.448  18901.75   1083.15  18874.95   1081.87  393.504 11.344  393.226 11.339  0.2779236      16.03935 
1 1 1 -6  -22 16 o 197.102 4.6462  4718.19    222.203  4664.01    314.826  4771.97    313.663  195.861 6.6246  198.121 6.5248  -2.260132      9.298294 
1 1 1 -6  -22 17 o 160.509 4.1309  3128.26    160.880  3183.48    228.096  3073.60    226.947  161.852 5.8081  159.031 5.8814  2.821030       8.265898 
1 1 1 -6  -22 18 o 321.558 6.7337  12574.11   525.386  12320.97   743.796  12826.17   742.224  317.912 9.6423  324.398 9.4296  -6.486328      13.48672 
1 1 1 -6  -22 19 o 208.142 4.8535  5262.71    245.120  5190.36    347.764  5334.14    345.552  206.568 6.9384  209.420 6.8003  -2.852341      9.715228 
1 1 1 -6  -22 20 o 206.534 4.8378  5182.10    242.442  5251.23    344.041  5113.90    341.701  207.768 6.8244  205.030 6.8685  2.738373       9.682457 
1 1 1 -6  -22 21 o 64.136  3.4277  500.826    53.148   447.223    76.040   552.026    74.316   60.438  5.2370  67.256  4.5813  -6.817795      6.958022 
1 1 1 -6  -22 22 o 149.662 4.0191  2720.33    145.951  2755.73    207.570  2685.72    205.261  150.553 5.6821  148.628 5.6917  1.925079       8.042514 
1 1 1 -6  -22 23 o 359.843 7.4313  15770.79   648.844  16043.49   918.736  15499.42   916.476  362.251 10.452  356.015 10.609  6.236664       14.89334 
1 1 1 -6  -22 24 o 259.132 8.0248  8186.20    504.565  8215.13    720.986  8158.42    706.364  258.936 11.475  258.084 11.280  0.8523865      16.09101 
1 1 1 -6  -22 25 o 285.981 8.6132  9981.05    597.674  10784.53   852.908  9205.84    837.773  296.487 11.856  273.728 12.614  22.75952       17.31089 
1 1 1 -6  -22 26 o 118.280 5.1449  1701.04    147.656  2014.56    216.201  1426.97    202.142  128.415 6.9647  107.905 7.7726  20.50948       10.43653 
1 1 1 -6  -22 27 o 44.283  5.5750  242.287    58.575   195.007    90.880   275.885    76.611   39.167  9.6302  47.097  6.9094  -7.929768      11.85245 
1 1 1 -6  -22 28 o 112.371 3.5394  1533.56    96.504   1483.84    143.121  1575.03    130.682  110.459 5.3400  113.832 4.7314  -3.373093      7.134497 
1 1 1 -6  -22 29 o 202.051 4.7253  4962.12    231.659  4950.65    335.437  4972.59    320.317  201.608 6.8571  202.092 6.5323  -0.4830780     9.470511 
1 1 1 -6  -22 30 o 77.843  3.3455  735.823    63.190   707.474    96.306   757.253    83.734   76.097  5.2479  78.819  4.3958  -2.722336      6.845700 
1 1 1 -6  -22 31 f 110.366 3.5282  1479.29    94.483   1649.05    141.487  1342.65    126.933  116.465 5.0068  105.091 4.9779  11.37409       7.060230 
1 1 1 -6  -22 32 f 191.279 4.6161  4446.77    214.243  4474.13    312.341  4422.46    294.424  191.675 6.7158  190.601 6.3663  1.073547       9.253740 
1 1 1 -6  -22 33 o 75.612  3.4328  694.311    62.981   858.588    97.475   576.580    82.518   83.905  4.8079  68.686  4.9852  15.21931       6.925897 
1 1 1 -6  -22 34 o 311.628 6.4536  11824.55   487.981  12968.56   701.178  10750.04   679.548  325.830 8.8690  296.518 9.4451  29.31174       12.95637 
1 1 1 -6  -22 35 o 81.205  5.0358  804.904    98.734   785.986    157.294  817.205    126.834  79.829  8.2391  81.667  6.4532  -1.838539      10.46549 
1 1 1 -6  -22 36 o 158.070 6.0295  3041.70    231.256  2725.61    347.424  3293.16    309.878  148.928 9.6666  164.288 7.7735  -15.36038      12.40448 
1 1 1 -6  -22 37 o 90.455  5.1585  998.516    112.751  980.218    175.088  1011.48    147.376  89.222  8.1787  90.857  6.7330  -1.635048      10.59357 
1 1 1 -6  -22 38 o 292.167 6.3556  10401.15   450.558  10037.70   650.194  10736.90   624.927  286.293 9.3598  296.287 8.6927  -9.993896      12.77377 
1 1 1 -6  -22 39 o 227.709 5.3017  6311.63    292.926  6089.64    427.579  6507.96    402.114  223.218 7.8945  230.905 7.1771  -7.686584      10.66931 
1 1 1 -6  -22 40 o 138.668 4.0753  2338.03    137.121  2128.12    206.888  2502.47    183.117  132.076 6.4558  143.355 5.2644  -11.27939      8.330139 
1 1 1 -6  -22 41 o 244.716 5.6365  7301.15    334.683  6833.58    488.164  7715.85    459.739  236.008 8.5246  251.083 7.5462  -15.07558      11.38486 
1 1 1 -6  -22 42 o 138.120 4.0190  2321.19    134.690  2482.39    205.490  2199.76    178.343  142.590 5.9393  134.292 5.4732  8.298355       8.076584 
1 1 1 -6  -22 43 o 41.331  4.3660  210.363    43.122   187.599    74.456   221.853    52.897   38.336  8.2490  42.320  5.2652  -3.983383      9.786108 
1 1 1 -6  -22 44 f 73.611  4.1515  662.203    73.847   556.274    146.143  698.525    85.576   66.412  9.3263  75.535  4.6924  -9.122856      10.44019 
1 1 1 -6  -22 45 o 88.100  3.7512  945.318    80.188   847.855    128.316  1007.77    102.715  82.884  6.4307  90.747  4.6808  -7.863869      7.953849 
1 1 1 -6  -22 46 f 103.955 3.8243  1317.04    96.463   1378.79    152.305  1275.68    124.652  105.860 5.9537  102.140 5.0297  3.720207       7.793827 
1 1 1 -6  -22 47 f 75.344  3.8359  693.972    69.894   501.553    115.141  806.248    87.953   63.225  7.6619  81.117  4.4860  -17.89201      8.878562 
1 1 1 -6  -22 48 o 83.794  5.4944  865.089    111.093  922.643    173.641  825.205    144.548  85.675  8.4635  81.321  7.4068  4.353333       11.24683 
1 1 1 -6  -22 49 o 97.756  5.5509  1177.37    131.121  1292.09    203.170  1095.49    171.656  101.482 8.3243  93.649  7.6204  7.833679       11.28555 
1 1 1 -6  -22 50 o 153.605 6.2988  2910.32    234.763  2800.80    351.386  2998.62    315.513  148.684 9.7948  154.704 8.4371  -6.020218      12.92761 
1 1 1 -6  -22 51 o 59.597  4.3121  436.645    61.935   498.793    116.117  411.932    73.221   62.849  7.7806  57.683  5.2905  5.166882       9.408843 
1 1 1 -6  -22 52 o 134.348 4.2677  2208.41    139.122  2641.31    223.711  1935.41    177.652  146.199 6.3064  125.309 5.8428  20.88983       8.597036 
1 1 1 -6  -22 53 o 74.699  4.2447  685.239    76.618   816.763    136.976  625.349    92.431   80.759  7.0612  71.080  5.3997  9.679543       8.889099 
1 1 1 -6  -22 54 o 92.812  10.451  1118.91    231.262  1118.91    231.262  0.0000     0.0000   92.812  10.451  ?       ?       0.000000       10.45104 
1 1 1 -6  -22 55 f 24.853  10.835  -7.1865    122.865  -7.1865    122.865  0.0000     0.0000   24.853  10.835  ?       ?       0.000000       10.83482 
1 1 1 -6  -22 56 o 72.607  4.3995  650.031    77.143   687.713    141.497  634.093    92.021   73.337  8.0861  71.435  5.3478  1.902756       9.694530 
1 1 1 -6  -22 57 o 48.906  5.2546  299.105    61.377   239.945    118.848  320.621    71.674   41.826  11.399  50.442  5.9721  -8.615879      12.86883 
1 1 1 -6  -22 58 o 65.590  4.5319  532.657    71.682   494.454    136.204  547.292    84.301   61.172  9.4834  66.252  5.2882  -5.079407      10.85813 
1 1 1 -6  -22 59 o 53.989  5.2639  364.860    68.080   571.565    178.521  329.682    73.645   64.288  11.882  51.036  6.0658  13.25171       13.34089 
1 1 1 -6  -22 60 o 82.519  4.4519  842.282    88.808   708.136    161.190  900.748    106.415  73.331  9.2660  85.058  5.1809  -11.72662      10.61602 
1 1 1 -6  -22 61 o 60.340  5.0097  454.014    72.684   539.983    127.723  412.841    88.392   64.386  8.3737  56.989  6.5090  7.396572       10.60597 
1 1 1 -6  -22 62 o 66.697  6.1811  561.205    98.894   0.0000     0.0000   561.205    98.894   ?       ?       66.697  6.1811  0.000000       6.181065 
1 1 1 -6  -22 63 o 45.949  8.7205  280.085    93.670   468.813    170.154  198.020    112.202  57.585  12.534  37.902  11.328  19.68294       16.89420 
1 1 1 -6  -22 64 o 18.621  8.0621  -1.9823    67.071   154.958    133.038  -55.4654   77.663   34.678  12.439  17.103  7.9156  17.57458       14.74437 
1 1 1 -6  -22 65 o 22.548  8.0365  58.593     55.442   52.775     130.216  59.881     61.273   27.929  11.621  23.123  8.4215  4.805653       14.35153 
1 1 1 -6  -21 1  o 248.951 5.6423  7537.77    340.825  7959.15    484.371  7124.53    479.663  255.525 7.8124  241.701 8.1789  13.82361       11.31048 
1 1 1 -6  -21 2  o 158.477 5.9116  3054.68    227.320  0.0000     0.0000   3054.68    227.320  ?       ?       158.477 5.9116  0.000000       5.911647 
1 1 1 -6  -21 3  o 274.164 8.4435  9162.71    561.693  0.0000     0.0000   9162.71    561.693  ?       ?       274.164 8.4435  0.000000       8.443545 
1 1 1 -6  -21 4  o 211.212 6.9628  5428.26    356.831  0.0000     0.0000   5428.26    356.831  ?       ?       211.212 6.9628  0.000000       6.962761 
1 1 1 -6  -21 5  o 351.504 7.3031  15034.58   622.877  15643.12   882.246  14429.80   879.523  358.048 10.155  343.805 10.543  14.24286       14.63845 
1 1 1 -6  -21 6  o 161.233 4.1590  3156.67    162.708  3166.96    231.075  3146.55    229.144  161.422 5.8996  160.903 5.8692  0.5194855      8.321869 
1 1 1 -6  -21 7  o 162.239 4.1775  3196.02    164.449  3234.95    233.242  3157.54    231.897  163.157 5.8916  161.191 5.9291  1.965500       8.358573 
1 1 1 -6  -21 8  o 185.290 4.5500  4169.07    204.563  4062.50    290.067  4274.52    288.529  182.816 6.5392  187.536 6.3408  -4.720612      9.108546 
1 1 1 -6  -21 9  o 31.896  3.8388  125.287    29.113   74.413     41.689   173.709    40.673   24.395  6.7924  37.548  4.5578  -13.15254      8.179823 
1 1 1 -6  -21 10 o 347.712 7.2203  14698.96   609.171  14792.80   862.300  14605.46   860.699  348.457 10.199  346.237 10.245  2.220032       14.45594 
1 1 1 -6  -21 11 o 302.336 6.4077  11107.31   470.066  11153.06   665.584  11061.79   663.967  302.716 9.0616  301.474 9.0768  1.242706       12.82577 
1 1 1 -6  -21 12 o 412.848 8.3162  20732.75   833.061  20317.49   1179.04  21146.72   1177.22  408.129 11.906  416.422 11.651  -8.292816      16.65821 
1 1 1 -6  -21 13 o 161.788 4.1067  3177.64    161.216  3100.29    228.662  3254.08    227.331  159.753 5.8990  163.674 5.7242  -3.920364      8.219786 
1 1 1 -6  -21 14 f 166.447 4.1751  3363.33    168.619  3329.74    239.137  3396.55    237.794  165.557 5.9530  167.214 5.8609  -1.656189      8.353944 
1 1 1 -6  -21 15 o 420.974 8.4964  21559.53   867.869  21467.04   1228.09  21651.79   1226.62  419.485 12.066  421.299 11.999  -1.813995      17.01649 
1 1 1 -6  -21 16 o 290.839 6.2148  10277.63   438.574  10275.48   620.931  10279.77   619.547  290.588 8.8064  290.651 8.7849  -0.6283569E-01 12.43899 
1 1 1 -6  -21 17 o 361.932 7.4489  15927.94   654.156  15798.87   925.962  16056.55   924.272  360.051 10.599  362.991 10.494  -2.940521      14.91517 
1 1 1 -6  -21 18 o 37.968  3.9079  176.856    35.487   174.657    50.684   178.970    49.703   37.484  5.7568  37.984  5.5573  -0.5000610     8.001544 
1 1 1 -6  -21 19 o 185.006 4.5119  4156.24    202.541  4184.06    287.431  4128.81    285.451  185.539 6.3846  184.310 6.3829  1.228928       9.027996 
1 1 1 -6  -21 20 o 166.801 4.2183  3378.31    170.726  3295.30    242.462  3459.94    240.438  164.663 6.0685  168.736 5.8726  -4.072968      8.444771 
1 1 1 -6  -21 21 o 167.438 4.2348  3404.45    172.051  3357.46    244.383  3450.62    242.263  166.198 6.0601  168.495 5.9257  -2.296906      8.475754 
1 1 1 -6  -21 22 o 352.824 7.3135  15148.01   626.107  15131.81   886.559  15164.12   884.344  352.101 10.377  352.484 10.340  -0.3833008     14.64917 
1 1 1 -6  -21 23 o 211.165 4.8005  5417.40    245.964  5590.34    353.779  5255.59    342.200  214.356 6.8019  207.841 6.7856  6.515488       9.607815 
1 1 1 -6  -21 24 o 282.852 5.9851  9729.52    410.766  10002.22   587.369  9468.50    574.661  286.448 8.4509  278.693 8.4981  7.754761       11.98477 
1 1 1 -6  -21 25 o 159.976 5.8278  3112.52    226.214  3341.24    326.850  2902.23    313.405  165.557 8.1365  154.046 8.4166  11.51097       11.70649 
1 1 1 -6  -21 26 o 252.588 7.8910  7777.78    483.624  7514.43    690.975  8030.68    677.130  247.606 11.501  256.104 10.897  -8.497528      15.84331 
1 1 1 -6  -21 27 o 25.939  7.3237  84.120     48.116   51.263     73.928   108.267    63.376   24.234  9.1692  29.450  8.4366  -5.215639      12.45994 
1 1 1 -6  -21 28 f 102.593 4.9946  1279.59    124.332  1272.18    182.927  1285.96    169.503  101.898 7.4503  102.528 6.8530  -0.6303101     10.12273 
1 1 1 -6  -21 29 o 239.504 5.3020  6975.32    308.115  7134.44    443.747  6827.18    428.152  241.931 7.5593  236.679 7.4554  5.251831       10.61725 
1 1 1 -6  -21 30 o 219.954 4.9732  5881.29    265.420  6212.12    383.796  5578.02    367.458  225.832 7.0041  213.987 7.0771  11.84512       9.957064 
1 1 1 -6  -21 31 o 187.636 4.4711  4278.30    203.559  4664.84    296.646  3934.32    279.841  195.778 6.2447  179.780 6.4151  15.99745       8.952657 
1 1 1 -6  -21 32 o 101.922 3.5655  1261.60    88.176   1195.62    133.369  1312.83    117.526  98.991  5.5753  103.933 4.6603  -4.941650      7.266540 
1 1 1 -6  -21 33 o 124.699 3.7906  1888.76    114.691  1808.49    171.803  1953.28    154.042  121.924 5.8074  126.755 5.0085  -4.831833      7.668823 
1 1 1 -6  -21 34 f 59.555  3.7017  432.460    53.227   609.166    82.524   306.579    69.652   70.625  4.8450  49.856  5.8702  20.76891       7.611415 
1 1 1 -6  -21 35 o 82.184  5.2082  824.639    103.321  647.761    161.743  946.571    134.291  72.188  9.4619  87.951  6.3352  -15.76311      11.38694 
1 1 1 -6  -21 36 o 88.842  5.2901  963.377    113.521  831.919    175.849  1057.31    148.644  82.031  8.9816  92.936  6.6354  -10.90478      11.16683 
1 1 1 -6  -21 37 o 131.015 5.7019  2088.94    181.261  1647.14    277.424  2418.03    239.434  115.550 9.9933  140.847 7.0061  -25.29707      12.20450 
1 1 1 -6  -21 38 o 82.612  3.7590  829.187    75.349   670.736    115.999  944.843    99.103   73.907  6.5358  88.029  4.6563  -14.12167      8.024880 
1 1 1 -6  -21 39 o 235.428 5.3168  6745.84    303.723  6995.69    443.257  6524.71    417.002  239.345 7.6325  231.187 7.4338  8.158325       10.65442 
1 1 1 -6  -21 40 o 94.060  3.6507  1075.18    83.320   1158.73    130.801  1018.12    108.087  97.382  5.5587  91.339  4.8948  6.042282       7.406651 
1 1 1 -6  -21 41 o 65.174  4.9918  520.217    78.339   617.571    164.642  491.725    89.068   70.173  9.9481  63.236  5.8719  6.937000       11.55182 
1 1 1 -6  -21 42 o 100.063 3.7556  1217.69    91.184   1119.65    142.067  1286.37    118.908  95.561  6.1598  102.771 4.7685  -7.209518      7.789834 
1 1 1 -6  -21 43 o 21.748  6.2263  59.179     34.528   2.6761     64.136   82.239     40.973   18.977  8.0415  25.452  6.5845  -6.475534      10.39334 
1 1 1 -6  -21 44 o 121.647 4.4128  1803.44    130.251  1599.29    247.245  1881.86    153.240  113.395 9.0618  124.172 5.0861  -10.77706      10.39154 
1 1 1 -6  -21 45 o 138.416 4.7158  2338.17    158.380  2197.78    312.130  2386.85    183.799  132.582 9.7714  139.717 5.4217  -7.134521      11.17475 
1 1 1 -6  -21 46 o 137.498 4.6713  2308.74    155.847  2444.57    308.746  2262.30    180.535  139.919 9.1444  135.942 5.4732  3.976517       10.65724 
1 1 1 -6  -21 47 o 80.052  4.3003  784.507    83.223   687.270    179.911  810.978    93.870   73.297  10.408  81.311  4.7789  -8.013214      11.45294 
1 1 1 -6  -21 48 f 59.420  5.6382  437.086    80.317   491.207    128.671  402.539    102.804  62.202  8.7687  56.506  7.6984  5.695786       11.66854 
1 1 1 -6  -21 49 o 68.707  5.6286  583.553    93.012   487.851    145.786  649.252    120.790  61.478  10.126  72.149  6.9874  -10.67119      12.30264 
1 1 1 -6  -21 50 o 60.263  7.6104  457.629    108.799  0.0000     0.0000   457.629    108.799  ?       ?       60.263  7.6104  0.000000       7.610361 
1 1 1 -6  -21 51 o 74.213  4.0949  674.996    73.452   797.593    128.987  616.161    89.356   80.049  6.7026  70.661  5.2492  9.388206       8.513433 
1 1 1 -6  -21 52 o 87.360  4.4615  936.678    94.257   904.459    208.193  944.984    105.712  83.721  10.478  87.621  4.9929  -3.900711      11.60694 
1 1 1 -6  -21 53 o 91.116  4.1617  1015.80    92.009   1052.49    158.074  997.004    113.151  91.735  7.1584  89.910  5.2090  1.824730       8.853030 
1 1 1 -6  -21 54 o 112.132 10.365  1624.73    278.822  1624.73    278.822  0.0000     0.0000   112.132 10.365  ?       ?       0.000000       10.36516 
1 1 1 -6  -21 55 o 8.3195  4.1672  -101.0376  35.838   -168.9955  96.790   -90.2407   38.580   15.841  7.7270  9.2225  4.5710  6.618036       8.977779 
1 1 1 -6  -21 56 o 69.020  6.0895  596.059    100.936  574.529    194.575  603.986    118.065  64.577  12.870  69.092  7.1457  -4.515411      14.72033 
1 1 1 -6  -21 57 f 57.333  4.7845  407.898    65.952   313.747    124.149  444.915    77.844   48.050  10.899  59.709  5.4325  -11.65908      12.17782 
1 1 1 -6  -21 58 o 12.815  5.9085  -31.5149   42.670   -111.0160  101.016  -14.2484   47.077   18.014  8.5517  14.798  6.5686  3.215378       10.78319 
1 1 1 -6  -21 59 o 25.511  7.7484  83.734     52.187   261.576    146.280  57.797     55.863   43.017  12.952  22.611  8.0660  20.40671       15.25806 
1 1 1 -6  -21 60 o 60.158  5.9369  455.811    85.529   606.306    147.047  378.865    105.145  67.896  9.1597  53.844  8.3159  14.05171       12.37146 
1 1 1 -6  -21 61 o 88.295  5.7397  975.332    122.299  0.0000     0.0000   975.332    122.299  ?       ?       88.295  5.7397  0.000000       5.739684 
1 1 1 -6  -21 62 o 71.947  5.7826  648.942    100.095  0.0000     0.0000   648.942    100.095  ?       ?       71.947  5.7826  0.000000       5.782561 
1 1 1 -6  -21 63 o 63.328  7.4634  515.070    112.480  393.119    201.545  570.235    135.554  51.270  15.149  66.066  8.6651  -14.79546      17.45239 
1 1 1 -6  -21 64 o 52.275  8.0513  357.073    98.844   526.058    173.378  275.700    120.312  61.262  12.093  44.472  11.166  16.79039       16.45951 
1 1 1 -6  -21 65 o 44.499  6.2962  253.705    66.084   337.494    140.316  229.823    74.912   48.627  11.972  41.796  7.6693  6.830662       14.21805 
1 1 1 -6  -20 1  o 349.892 10.432  14957.63   885.633  0.0000     0.0000   14957.63   885.633  ?       ?       349.892 10.432  0.000000       10.43173 
1 1 1 -6  -20 2  o 259.720 8.0735  8214.88    508.780  0.0000     0.0000   8214.88    508.780  ?       ?       259.720 8.0735  0.000000       8.073483 
1 1 1 -6  -20 3  o 131.189 5.3795  2091.16    171.240  0.0000     0.0000   2091.16    171.240  ?       ?       131.189 5.3795  0.000000       5.379547 
1 1 1 -6  -20 4  o 351.159 7.2765  14998.11   619.998  15270.60   878.195  14727.33   875.432  353.901 10.227  347.522 10.382  6.378571       14.57303 
1 1 1 -6  -20 5  o 116.850 3.6457  1657.46    103.365  1661.69    147.257  1653.35    145.126  116.965 5.1887  116.672 5.1264  0.2924271      7.293999 
1 1 1 -6  -20 6  o 273.246 5.8960  9070.73    390.912  8910.50    553.551  9230.13    552.118  270.628 8.4299  275.454 8.2607  -4.826508      11.80266 
1 1 1 -6  -20 7  o 425.757 8.6218  22051.88   890.685  22888.69   1260.67  21217.83   1258.57  433.207 11.993  417.012 12.438  16.19458       17.27876 
1 1 1 -6  -20 8  o 168.403 4.2284  3442.75    172.778  3344.56    244.917  3540.02    243.775  165.930 6.0832  170.716 5.8851  -4.786667      8.463998 
1 1 1 -6  -20 9  o 268.592 5.8847  8762.28    383.515  8818.45    543.152  8706.44    541.596  269.298 8.3124  267.580 8.3417  1.717773       11.77624 
1 1 1 -6  -20 10 o 358.704 7.3499  15637.20   639.711  15733.50   905.439  15541.22   903.939  359.498 10.380  357.289 10.427  2.209076       14.71276 
1 1 1 -6  -20 11 o 705.841 13.847  60807.09   2371.54  59060.97   3354.76  62551.32   3352.96  693.410 19.939  713.858 19.358  -20.44818      27.79009 
1 1 1 -6  -20 12 o 387.177 7.8617  18221.46   738.565  17810.14   1045.21  18631.64   1043.77  382.397 11.265  391.153 10.997  -8.755615      15.74297 
1 1 1 -6  -20 13 o 67.827  3.3194  558.322    54.629   523.221    77.595   592.818    76.924   65.462  4.9212  69.731  4.5718  -4.268593      6.717081 
1 1 1 -6  -20 14 o 404.310 8.1578  19872.67   800.296  19942.98   1132.42  19802.51   1131.16  404.609 11.535  403.177 11.563  1.431580       16.33247 
1 1 1 -6  -20 15 o 709.172 13.891  61384.75   2390.31  61123.80   3381.11  61645.50   3379.71  705.497 19.751  708.541 19.658  -3.044617      27.86715 
1 1 1 -6  -20 16 o 354.435 7.2646  15266.61   624.759  15015.26   884.335  15517.06   882.753  351.197 10.378  357.039 10.190  -5.842194      14.54392 
1 1 1 -6  -20 17 o 280.517 6.0529  9558.22    411.990  9637.68    583.544  9479.26    581.744  281.511 8.5431  279.184 8.5877  2.326691       12.11332 
1 1 1 -6  -20 18 o 175.658 4.3349  3745.86    184.760  3742.27    262.261  3749.39    260.328  175.515 6.1582  175.684 6.1070  -0.1688232     8.672870 
1 1 1 -6  -20 19 o 427.428 8.6151  22225.39   893.483  21900.27   1264.62  22549.45   1262.54  423.689 12.301  429.961 12.102  -6.272064      17.25612 
1 1 1 -6  -20 20 o 284.584 6.0777  9839.93    419.673  9774.36    594.571  9905.04    592.449  283.421 8.6458  285.318 8.5577  -1.896973      12.16492 
1 1 1 -6  -20 21 o 126.077 3.6209  1929.54    110.767  1858.59    161.505  1992.55    152.205  123.695 5.3811  128.089 4.8973  -4.394096      7.275962 
1 1 1 -6  -20 22 o 349.631 7.2254  14867.33   612.961  14242.26   872.661  15476.05   861.168  341.726 10.525  356.318 9.9606  -14.59198      14.49069 
1 1 1 -6  -20 23 o 139.533 3.7978  2363.86    128.581  2327.77    187.449  2395.94    176.708  138.403 5.5818  140.431 5.1860  -2.027603      7.619087 
1 1 1 -6  -20 24 o 259.127 5.5520  8161.00    349.081  8668.84    500.063  7678.31    487.525  266.842 7.7234  251.102 8.0017  15.73959       11.12103 
1 1 1 -6  -20 25 o 358.391 7.4340  15638.81   646.466  14769.26   920.984  16483.36   907.644  347.566 10.921  367.366 10.182  -19.79996      14.93133 
1 1 1 -6  -20 26 o 319.546 9.5417  12468.22   739.814  11752.88   1053.06  13165.36   1039.58  309.088 14.041  327.432 13.085  -18.34448      19.19307 
1 1 1 -6  -20 27 o 227.455 7.2855  6302.14    402.087  6302.64    575.664  6301.65    561.860  226.978 10.453  227.005 10.201  -0.2705383E-01 14.60510 
1 1 1 -6  -20 28 o 157.777 5.8150  3028.29    222.615  3171.71    322.015  2897.01    308.098  161.039 8.2689  153.886 8.2819  7.153030       11.70317 
1 1 1 -6  -20 29 o 163.372 5.9280  3247.35    234.990  3411.26    339.583  3096.73    325.517  166.996 8.4075  159.082 8.4636  7.914444       11.92973 
1 1 1 -6  -20 30 o 173.931 4.3281  3675.70    182.657  3620.12    266.507  3724.94    250.836  172.461 6.3688  174.979 5.9080  -2.518356      8.687086 
1 1 1 -6  -20 31 o 130.289 3.7452  2061.75    118.398  2223.15    175.795  1927.75    160.174  135.214 5.3582  125.917 5.2426  9.297127       7.496319 
1 1 1 -6  -20 32 o 156.317 4.0993  2968.41    155.482  2986.21    228.875  2953.16    211.876  156.664 6.0210  155.824 5.6038  0.8395386      8.225239 
1 1 1 -6  -20 33 o 273.900 5.9823  9127.75    397.580  8904.82    572.394  9335.58    552.652  270.098 8.7339  276.647 8.2331  -6.549438      12.00270 
1 1 1 -6  -20 34 o 247.834 5.5084  7470.17    331.246  7590.56    478.980  7359.81    458.592  249.495 7.9121  245.708 7.6921  3.787323       11.03489 
1 1 1 -6  -20 35 o 201.409 6.6631  4939.78    325.627  5487.04    481.866  4479.84    441.757  211.889 9.3725  191.435 9.5104  20.45313       13.35255 
1 1 1 -6  -20 36 o 235.339 7.6300  6753.36    435.696  6499.97    638.719  6973.88    595.847  230.158 11.437  238.658 10.290  -8.499359      15.38451 
1 1 1 -6  -20 37 o 85.741  5.3494  897.692    110.735  766.216    174.337  986.610    143.370  78.620  9.3203  89.756  6.6301  -11.13533      11.43792 
1 1 1 -6  -20 38 o 283.903 8.6644  9850.98    596.860  10199.54   870.861  9542.21    819.640  287.750 12.473  278.437 12.132  9.313263       17.40001 
1 1 1 -6  -20 39 o 182.825 4.5375  4064.18    201.289  4315.51    298.032  3853.38    272.951  188.170 6.5275  177.834 6.3257  10.33562       9.089693 
1 1 1 -6  -20 40 o 147.262 4.2006  2636.61    150.094  2366.50    225.690  2850.82    200.982  139.288 6.6778  153.020 5.4131  -13.73164      8.596231 
1 1 1 -6  -20 41 o 171.674 4.3945  3585.25    183.055  3945.85    272.741  3289.66    246.937  179.852 6.2499  164.225 6.1970  15.62653       8.801361 
1 1 1 -6  -20 42 o 144.166 4.1405  2528.64    144.838  2524.58    219.822  2531.74    192.542  143.784 6.3008  144.099 5.5068  -0.3143921     8.368108 
1 1 1 -6  -20 43 o 39.495  4.6203  192.586    43.440   175.413    77.642   200.411    52.410   37.021  8.7769  40.156  5.5254  -3.134308      10.37128 
1 1 1 -6  -20 44 o 169.355 4.5016  3495.48    184.981  3418.64    278.236  3556.34    247.635  166.982 6.8672  170.527 5.9849  -3.544861      9.109171 
1 1 1 -6  -20 45 o 24.752  6.2889  77.968     37.846   114.109    65.571   59.914     46.345   30.014  8.5760  22.499  7.3651  7.514933       11.30454 
1 1 1 -6  -20 46 o 154.984 4.3745  2930.50    164.507  2813.26    250.110  3019.88    218.396  151.251 6.8150  157.016 5.7324  -5.764893      8.905361 
1 1 1 -6  -20 47 o 70.293  3.8944  604.256    66.164   624.931    109.211  592.268    83.163   71.018  6.4067  69.416  4.9703  1.601921       8.108608 
1 1 1 -6  -20 48 o 67.952  5.6546  570.382    92.387   557.121    146.122  579.213    119.247  66.144  9.3664  68.072  7.3354  -1.928429      11.89699 
1 1 1 -6  -20 49 o 76.980  5.5089  730.883    102.218  641.427    159.956  792.629    132.893  70.920  9.5371  79.814  6.9310  -8.893486      11.78964 
1 1 1 -6  -20 50 o 13.696  6.2168  -25.8336   44.859   92.839     87.268   -68.4525   52.297   28.645  10.096  12.734  6.0756  15.91067       11.78325 
1 1 1 -6  -20 51 o 126.357 4.1559  1951.08    127.418  1903.63    201.408  1982.74    164.528  123.919 6.7236  127.081 5.3357  -3.162399      8.583514 
1 1 1 -6  -20 52 o 13.568  6.0185  -13.1852   39.459   -52.2942   81.161   -1.0797    45.155   18.002  8.2442  15.609  6.6847  2.393181       10.61375 
1 1 1 -6  -20 53 o 49.223  10.001  317.929    115.372  317.929    115.372  0.0000     0.0000   49.223  10.001  ?       ?       0.000000       10.00103 
1 1 1 -6  -20 54 o 103.205 10.428  1377.83    257.551  1377.83    257.551  0.0000     0.0000   103.205 10.428  ?       ?       0.000000       10.42783 
1 1 1 -6  -20 55 o 72.276  5.8420  650.302    101.575  661.821    190.473  645.725    120.074  70.468  11.539  71.628  6.9982  -1.160843      13.49566 
1 1 1 -6  -20 56 o 44.137  7.3075  250.152    75.521   148.688    156.336  281.036    86.252   35.862  13.383  46.640  7.9039  -10.77711      15.54248 
1 1 1 -6  -20 57 o 41.207  5.7447  214.471    55.877   147.678    114.374  235.411    64.039   34.027  11.579  43.039  6.3205  -9.012394      13.19196 
1 1 1 -6  -20 58 o 16.839  6.9848  11.107     46.834   -17.2436   126.590  15.603     50.411   24.519  10.833  17.772  7.2966  6.747580       13.06093 
1 1 1 -6  -20 59 o 47.564  5.8377  285.702    65.958   77.340     174.273  320.539    71.259   32.439  13.466  50.383  5.9434  -17.94379      14.71942 
1 1 1 -6  -20 60 o 41.120  6.7045  217.433    64.588   -100.9444  214.785  249.085    67.723   28.615  13.216  44.134  6.5204  -15.51857      14.73656 
1 1 1 -6  -20 61 o 27.704  9.0150  97.615     69.474   0.0000     0.0000   97.615     69.474   ?       ?       27.704  9.0150  0.000000       9.014973 
1 1 1 -6  -20 62 o 37.796  7.6306  187.110    67.567   321.579    146.291  150.646    76.179   47.715  12.490  33.561  9.1178  14.15397       15.46374 
1 1 1 -6  -20 63 o 31.723  10.120  132.270    87.852   -29.3813   186.687  178.251    99.566   28.826  12.918  36.204  10.634  -7.377846      16.73191 
1 1 1 -6  -20 64 o 46.470  9.7176  292.102    106.046  376.501    204.585  261.094    124.006  49.912  15.376  43.140  11.597  6.772106       19.25897 
1 1 1 -6  -20 65 o 35.812  7.3346  168.825    61.589   35.204     152.577  194.836    67.317   28.654  12.280  38.484  7.4787  -9.829229      14.37812 
1 1 1 -6  -19 1  o 252.067 11.372  7759.43    695.550  0.0000     0.0000   7759.43    695.550  ?       ?       252.067 11.372  0.000000       11.37231 
1 1 1 -6  -19 2  o 212.434 10.064  5500.24    518.774  0.0000     0.0000   5500.24    518.774  ?       ?       212.434 10.064  0.000000       10.06444 
1 1 1 -6  -19 3  o 318.639 9.4517  12362.52   730.755  12137.95   1023.88  12595.68   1043.28  315.158 13.389  321.045 13.393  -5.886841      18.93777 
1 1 1 -6  -19 4  o 331.884 9.7189  13409.30   782.650  12647.12   1097.67  14197.49   1116.23  321.708 14.062  340.954 13.493  -19.24597      19.48817 
1 1 1 -6  -19 5  o 178.220 6.1403  3858.29    265.526  3506.33    367.787  4241.46    383.743  169.540 8.9724  186.753 8.4685  -17.21371      12.33775 
1 1 1 -6  -19 6  o 301.024 9.0862  11021.97   663.664  11875.07   930.542  10138.80   946.794  312.124 12.287  288.259 13.537  23.86414       18.28135 
1 1 1 -6  -19 7  o 290.337 7.0727  10242.05   498.254  9693.35    856.733  10522.48   612.487  282.006 12.521  294.182 8.5806  -12.17624      15.17861 
1 1 1 -6  -19 8  o 852.250 19.204  89046.78   3971.27  88495.73   6872.20  89323.05   4866.01  840.554 33.695  851.336 23.556  -10.78149      41.11273 
1 1 1 -6  -19 9  o 462.220 9.2061  25980.58   1032.49  25839.00   1461.04  26121.83   1459.30  460.410 13.078  462.938 12.991  -2.527313      18.43422 
1 1 1 -6  -19 10 o 47.205  3.3548  271.783    38.174   218.855    54.233   323.759    53.744   42.107  5.4350  51.462  4.3446  -9.354965      6.958089 
1 1 1 -6  -19 11 f 259.259 5.6088  8161.43    352.834  8195.26    499.687  8127.79    498.283  259.687 7.9302  258.615 7.9407  1.071808       11.22241 
1 1 1 -6  -19 12 o 681.176 13.400  56560.87   2214.70  56448.57   3132.70  56673.07   3131.43  678.869 19.018  680.233 18.972  -1.364197      26.86337 
1 1 1 -6  -19 13 o 683.451 13.433  56940.68   2227.57  57401.31   3150.88  56480.41   3149.66  684.591 18.969  679.027 19.117  5.564026       26.93059 
1 1 1 -6  -19 14 o 260.190 5.6162  8220.16    354.563  8406.33    502.045  8034.89    500.814  263.013 7.8668  257.128 8.0272  5.885071       11.23934 
1 1 1 -6  -19 15 o 51.496  3.4800  323.303    43.228   332.649    61.254   314.030    61.013   52.116  4.9015  50.609  5.0354  1.506813       7.027066 
1 1 1 -6  -19 16 o 479.082 9.5193  27915.19   1106.57  28055.06   1565.87  27775.64   1563.97  479.682 13.454  477.279 13.505  2.403839       19.06262 
1 1 1 -6  -19 17 o 868.626 16.936  92287.05   3569.42  92168.89   5048.93  92405.12   5046.91  864.497 24.070  865.629 24.029  -1.131104      34.01072 
1 1 1 -6  -19 18 o 298.671 6.2822  10835.04   455.272  10888.76   644.743  10781.63   642.964  299.236 8.8799  297.758 8.8994  1.477203       12.57186 
1 1 1 -6  -19 19 o 302.665 6.4271  11128.07   472.002  10935.94   668.512  11319.05   666.516  299.839 9.1888  305.062 9.0045  -5.222748      12.86523 
1 1 1 -6  -19 20 o 189.002 4.4378  4336.64    203.515  4523.61    292.776  4161.82    283.095  192.970 6.2529  185.091 6.3035  7.879456       8.878798 
1 1 1 -6  -19 21 o 335.495 6.8847  13679.19   560.448  13907.62   798.202  13457.07   787.100  337.991 9.7329  332.469 9.7570  5.522705       13.78144 
1 1 1 -6  -19 22 f 310.165 6.4443  11691.09   484.993  12061.13   691.879  11333.60   680.043  314.776 9.0587  305.120 9.1855  9.655670       12.90088 
1 1 1 -6  -19 23 o 212.564 4.8282  5487.50    249.023  5615.15    358.281  5368.19    346.365  214.905 6.8709  210.131 6.7933  4.774002       9.662187 
1 1 1 -6  -19 24 o 260.293 5.6681  8233.34    357.983  7915.32    512.617  8536.08    500.141  254.979 8.2856  264.843 7.7829  -9.864273      11.36770 
1 1 1 -6  -19 25 o 264.159 5.6992  8481.70    365.292  8630.82    523.446  8340.13    510.018  266.216 8.1035  261.703 8.0318  4.512878       11.40949 
1 1 1 -6  -19 26 o 440.599 12.636  23795.02   1350.91  23175.02   1916.94  24406.71   1904.07  432.415 18.270  444.060 17.672  -11.64487      25.41822 
1 1 1 -6  -19 27 o 209.584 6.8437  5346.80    348.028  5800.60    498.547  4915.46    486.061  217.972 9.4263  200.576 9.9873  17.39590       13.73324 
1 1 1 -6  -19 28 o 185.236 6.3586  4175.67    285.794  4280.05    410.792  4077.76    397.867  187.242 9.0418  182.773 8.9714  4.469696       12.73736 
1 1 1 -6  -19 29 o 210.620 6.9234  5402.31    353.818  5453.83    506.995  5353.38    494.006  211.206 9.8931  209.279 9.7284  1.927475       13.87503 
1 1 1 -6  -19 30 o 35.294  4.1262  153.391    34.669   45.297     55.310   223.347    44.495   21.706  7.9865  42.653  4.3607  -20.94722      9.099465 
1 1 1 -6  -19 31 o 261.730 5.7315  8332.06    363.989  8182.54    523.982  8471.50    506.005  259.003 8.3377  263.607 7.9110  -4.604340      11.49357 
1 1 1 -6  -19 32 o 91.250  3.4798  1011.13    77.045   852.370    117.548  1130.70    102.013  83.507  5.8381  96.469  4.3582  -12.96197      7.285358 
1 1 1 -6  -19 33 o 182.042 4.5310  4026.94    200.139  3922.84    292.584  4118.48    274.371  179.502 6.7176  183.976 6.1463  -4.474335      9.105130 
1 1 1 -6  -19 34 o 286.456 6.1104  9984.71    424.710  10410.35   611.215  9587.33    590.577  292.070 8.6247  280.276 8.6841  11.79416       12.23924 
1 1 1 -6  -19 35 o 130.765 3.8858  2077.05    123.291  2189.03    184.535  1986.77    165.702  134.150 5.6692  127.821 5.3427  6.328819       7.790032 
1 1 1 -6  -19 36 o 217.362 7.3236  5757.87    386.255  5163.02    569.586  6264.31    525.559  204.839 11.507  226.359 9.5688  -21.51997      14.96540 
1 1 1 -6  -19 37 o 80.897  5.0735  798.882    99.083   1032.49    158.503  649.042    126.942  91.766  7.1757  72.609  7.3044  19.15672       10.23934 
1 1 1 -6  -19 38 o 217.965 7.1524  5791.87    378.268  6054.37    560.807  5572.75    512.373  222.250 10.399  213.329 9.8985  8.920914       14.35715 
1 1 1 -6  -19 39 o 257.473 5.7329  8070.15    358.157  8230.00    520.159  7926.04    493.882  259.534 8.2600  254.754 7.9899  4.779846       11.49195 
1 1 1 -6  -19 40 o 329.005 6.9676  13206.87   556.225  13344.27   801.357  13079.13   772.669  329.720 10.017  326.527 9.7524  3.193420       13.97996 
1 1 1 -6  -19 41 o 52.490  4.0905  337.043    51.687   423.061    85.321   287.176    64.963   58.594  6.0902  48.222  5.6598  10.37179       8.314052 
1 1 1 -6  -19 42 o 62.233  3.8532  472.771    57.898   526.166    94.420   440.597    73.294   65.396  6.0180  59.927  5.0888  5.468845       7.881106 
1 1 1 -6  -19 43 o 127.475 3.9748  1977.28    122.943  1995.20    188.558  1964.02    162.151  127.799 6.0807  126.905 5.2659  0.8936081      8.043947 
1 1 1 -6  -19 44 o 42.462  4.5124  222.161    45.778   215.956    79.205   225.274    56.097   41.186  8.2139  42.594  5.5605  -1.408798      9.919003 
1 1 1 -6  -19 45 o 111.144 3.8572  1504.31    104.023  1582.92    162.348  1449.56    135.489  113.575 5.9116  108.947 5.1254  4.628242       7.824063 
1 1 1 -6  -19 46 o 151.582 4.3163  2802.48    158.752  2790.40    242.057  2811.60    210.296  150.714 6.6191  151.524 5.7199  -0.8099060     8.748124 
1 1 1 -6  -19 47 o 124.384 4.0322  1886.77    121.695  1934.66    190.105  1853.52    158.404  125.499 6.2430  123.050 5.3054  2.448921       8.192813 
1 1 1 -6  -19 48 f 87.719  3.8598  938.395    82.152   950.165    132.327  931.014    104.794  87.683  6.2609  87.085  4.9801  0.5981750      7.999966 
1 1 1 -6  -19 49 o 86.938  5.5180  931.055    115.798  1045.07    181.094  852.191    150.612  91.304  8.2639  82.593  7.6007  8.710831       11.22771 
1 1 1 -6  -19 50 o 18.755  7.3262  27.000     48.257   2.3516     91.096   36.616     56.897   22.266  9.5141  20.787  8.0006  1.479517       12.43088 
1 1 1 -6  -19 51 f 110.154 4.0651  1482.13    108.652  1334.30    174.281  1576.11    138.963  103.617 6.9725  113.384 5.0511  -9.766800      8.609798 
1 1 1 -6  -19 52 o 108.744 6.9606  1470.79    182.697  1470.79    182.697  0.0000     0.0000   108.744 6.9606  ?       ?       0.000000       6.960575 
1 1 1 -6  -19 53 o 89.920  10.838  1047.84    231.699  1047.84    231.699  0.0000     0.0000   89.920  10.838  ?       ?       0.000000       10.83785 
1 1 1 -6  -19 54 o 65.166  4.5430  523.201    71.385   542.396    127.503  514.438    86.153   65.258  8.2357  64.369  5.5711  0.8893280      9.943041 
1 1 1 -6  -19 55 o 27.057  8.4822  92.246     61.953   94.869     137.044  91.572     69.456   31.684  12.355  27.306  9.0201  4.378139       15.29690 
1 1 1 -6  -19 56 f 38.851  7.8489  196.398    71.443   13.811     152.430  247.799    80.877   28.384  12.221  43.739  7.9119  -15.35470      14.55892 
1 1 1 -6  -19 57 o 32.344  7.1480  136.152    54.604   20.335     113.525  171.011    62.282   25.269  10.703  36.285  7.3264  -11.01650      12.97016 
1 1 1 -6  -19 58 o 14.874  6.4333  -3.4106    42.622   2.3446     101.416  -4.6451    46.971   23.017  9.9395  15.518  6.7327  7.499113       12.00515 
1 1 1 -6  -19 59 o 64.139  4.9545  511.477    76.508   789.888    157.548  425.560    87.520   78.173  8.4399  58.021  6.3189  20.15216       10.54329 
1 1 1 -6  -19 60 o 102.138 5.4786  1299.21    135.281  0.0000     0.0000   1299.21    135.281  ?       ?       102.138 5.4786  0.000000       5.478634 
1 1 1 -6  -19 61 o 73.774  5.0794  676.727    90.370   706.077    178.265  666.576    104.839  72.703  10.402  72.877  5.9816  -0.1734695     11.99897 
1 1 1 -6  -19 62 o 24.322  8.7452  66.826     65.790   267.812    241.427  50.705     68.377   44.250  16.607  22.997  8.7900  21.25374       18.79011 
1 1 1 -6  -19 63 o 32.685  10.492  140.832    94.325   177.041    186.632  128.410    109.314  38.057  14.528  32.066  11.300  5.991467       18.40506 
1 1 1 -6  -19 64 o 30.303  11.074  109.141    106.088  0.0000     0.0000   109.141    106.088  ?       ?       30.303  11.074  0.000000       11.07432 
1 1 1 -6  -18 1  o 345.430 14.540  14597.10   1218.63  0.0000     0.0000   14597.10   1218.63  ?       ?       345.430 14.540  0.000000       14.53951 
1 1 1 -6  -18 2  o 292.535 8.8398  10410.59   627.454  10506.20   878.012  10310.79   897.002  293.497 12.329  290.706 12.717  2.791382       17.71221 
1 1 1 -6  -18 3  o 292.633 8.8104  10414.64   625.579  10359.46   875.865  10472.11   893.814  291.509 12.383  293.069 12.569  -1.559326      17.64439 
1 1 1 -6  -18 4  o 176.957 6.1622  3803.22    264.587  3812.41    366.584  3793.22    382.273  177.080 8.5318  176.388 8.9612  0.6914063      12.37318 
1 1 1 -6  -18 5  o 278.831 8.4894  9451.05    574.359  9744.86    804.385  9145.45    820.384  282.878 11.719  273.983 12.340  8.894348       17.01844 
1 1 1 -6  -18 6  o 82.581  4.5857  830.382    91.525   776.607    124.185  894.323    135.417  79.701  6.4776  85.558  6.5733  -5.856293      9.228585 
1 1 1 -6  -18 7  o 425.519 12.099  22048.70   1249.20  21462.35   1759.06  22645.25   1774.31  419.013 17.302  430.463 16.987  -11.45053      24.24717 
1 1 1 -6  -18 8  o 320.114 9.4012  12459.16   730.219  11787.45   1025.94  13148.82   1039.56  310.996 13.596  328.524 13.041  -17.52792      18.83933 
1 1 1 -6  -18 9  o 428.603 12.167  22366.38   1265.28  21677.72   1782.87  23065.19   1795.96  421.162 17.446  434.505 17.035  -13.34305      24.38366 
1 1 1 -6  -18 10 o 280.695 6.0270  9567.06    410.489  9701.24    581.222  9433.53    579.818  282.537 8.4782  278.605 8.5770  3.931183       12.06008 
1 1 1 -6  -18 11 f 261.870 5.7449  8326.15    365.034  8187.22    516.772  8464.51    515.700  259.571 8.2050  263.938 8.0525  -4.366730      11.49633 
1 1 1 -6  -18 12 o 234.405 5.2534  6670.36    298.791  6586.80    423.065  6753.52    422.047  232.854 7.4879  235.787 7.3770  -2.932983      10.51132 
1 1 1 -6  -18 13 o 264.698 5.7917  8507.05    371.984  8595.56    526.638  8418.93    525.493  265.967 8.1606  263.217 8.2279  2.750153       11.58849 
1 1 1 -6  -18 14 o 282.287 6.0336  9675.93    413.268  9823.82    585.245  9528.84    583.657  284.316 8.4834  280.009 8.5906  4.307190       12.07339 
1 1 1 -6  -18 15 o 426.059 8.5442  22061.61   883.290  21813.87   1250.07  22308.63   1248.26  423.277 12.172  428.069 12.018  -4.792450      17.10479 
1 1 1 -6  -18 16 o 325.755 6.7700  12888.66   535.112  12801.98   757.668  12974.92   755.859  324.471 9.6236  326.662 9.5362  -2.191010      13.54821 
1 1 1 -6  -18 17 o 433.606 8.7065  22853.83   916.020  23279.45   1296.45  22429.53   1294.44  437.218 12.221  429.135 12.432  8.083740       17.43240 
1 1 1 -6  -18 18 o 77.930  3.3349  737.014    63.059   661.894    90.075   809.218    88.309   73.664  5.0704  81.526  4.4814  -7.862053      6.766971 
1 1 1 -6  -18 19 o 302.313 6.3454  11100.20   465.457  10803.26   663.333  11388.23   653.292  298.062 9.1719  306.054 8.7972  -7.991638      12.70887 
1 1 1 -6  -18 20 o 186.992 4.4334  4244.52    201.152  4120.60    289.577  4360.08    279.629  184.181 6.4797  189.472 6.0824  -5.290359      8.887165 
1 1 1 -6  -18 21 o 306.195 6.4243  11389.32   477.296  11059.94   680.659  11707.97   669.478  301.520 9.3036  310.264 8.8929  -8.744202      12.87009 
1 1 1 -6  -18 22 o 278.295 5.8754  9407.42    396.741  9893.66    566.977  8940.91    555.355  285.234 8.1922  271.132 8.4416  14.10123       11.76321 
1 1 1 -6  -18 23 o 353.021 7.2240  15150.75   618.789  15329.07   881.427  14977.46   868.907  354.722 10.241  350.634 10.213  4.087891       14.46305 
1 1 1 -6  -18 24 o 82.645  3.3107  829.055    66.390   679.819    99.216   950.053    89.337   74.602  5.5203  88.458  4.1623  -13.85639      6.913649 
1 1 1 -6  -18 25 o 238.261 5.3170  6897.18    307.387  6600.57    441.365  7176.54    428.348  232.885 7.8107  242.885 7.2683  -9.999435      10.66938 
1 1 1 -6  -18 26 f 32.364  4.2736  129.422    32.739   128.770    50.362   129.899    43.085   31.941  6.7115  32.212  5.7220  -0.2714882     8.819629 
1 1 1 -6  -18 27 o 174.759 6.1614  3714.48    261.264  3469.35    375.361  3944.83    363.873  168.386 9.2222  179.910 8.3355  -11.52419      12.43096 
1 1 1 -6  -18 28 o 307.381 9.1820  11532.69   684.826  11764.39   974.773  11306.87   962.326  309.517 12.979  303.413 13.071  6.104279       18.42085 
1 1 1 -6  -18 29 o 243.839 7.6437  7245.73    452.244  7659.27    645.966  6848.16    633.359  250.178 10.641  236.484 11.038  13.69473       15.33206 
1 1 1 -6  -18 30 o 351.307 7.2913  15034.77   621.522  14627.73   887.904  15425.83   870.291  345.732 10.584  355.176 10.099  -9.443817      14.62899 
1 1 1 -6  -18 31 o 81.290  3.3815  802.398    66.698   979.946    101.758  668.666    88.314   89.676  4.6929  74.006  4.9466  15.67016       6.818491 
1 1 1 -6  -18 32 o 77.835  3.4335  735.661    64.846   727.704    99.296   741.579    85.627   77.182  5.3349  77.990  4.5446  -0.8080597     7.008187 
1 1 1 -6  -18 33 o 157.113 4.1481  2998.64    158.133  2998.77    232.775  2998.52    215.491  156.996 6.1106  157.021 5.6560  -0.2537537E-01 8.326434 
1 1 1 -6  -18 34 o 165.441 4.2428  3325.23    170.319  3563.83    250.606  3120.42    232.182  171.152 6.0346  160.155 5.9748  10.99644       8.492006 
1 1 1 -6  -18 35 o 55.753  3.8664  379.372    51.982   473.413    82.583   317.659    66.898   62.148  5.5344  50.812  5.5146  11.33569       7.812809 
1 1 1 -6  -18 36 o 89.178  5.1419  970.125    110.791  996.836    179.159  953.585    140.979  90.016  8.2960  88.251  6.6322  1.764755       10.62123 
1 1 1 -6  -18 37 o 125.584 5.5007  1918.38    167.616  1903.84    262.140  1928.44    218.004  124.562 8.7284  125.595 7.1835  -1.033089      11.30430 
1 1 1 -6  -18 38 o 159.423 6.1416  3094.20    237.572  2841.49    360.967  3287.32    315.550  152.053 9.8365  164.134 7.9233  -12.08076      12.63070 
1 1 1 -6  -18 39 o 132.514 4.0232  2133.87    129.358  2001.68    196.359  2235.24    171.944  128.191 6.3129  135.549 5.2279  -7.357880      8.196558 
1 1 1 -6  -18 40 o 103.696 3.7340  1306.59    93.950   1367.98    145.879  1263.09    122.811  105.840 5.7014  101.893 4.9674  3.947563       7.561835 
1 1 1 -6  -18 41 o 220.676 5.1716  5928.79    276.913  6029.42    406.650  5841.79    378.132  222.102 7.5458  218.707 7.1255  3.395325       10.37841 
1 1 1 -6  -18 42 o 97.673  3.7667  1159.94    89.269   1189.02    139.911  1139.98    115.933  98.562  5.8770  96.625  4.9616  1.936943       7.691333 
1 1 1 -6  -18 43 o 70.535  3.7597  606.857    64.114   686.098    104.332  558.777    81.269   74.751  5.7976  67.530  4.9953  7.221527       7.652762 
1 1 1 -6  -18 44 o 87.553  3.7315  932.762    79.272   993.328    126.589  893.689    101.676  89.974  5.8298  85.466  4.9238  4.508209       7.630921 
1 1 1 -6  -18 45 o 73.231  3.8177  654.716    67.601   577.941    110.196  701.043    85.600   68.317  6.7353  75.668  4.6854  -7.350380      8.204675 
1 1 1 -6  -18 46 o 186.781 4.8102  4260.12    218.003  4147.66    326.055  4351.04    293.167  183.517 7.3223  188.288 6.4169  -4.771088      9.736196 
1 1 1 -6  -18 47 o 133.023 4.1459  2158.42    133.816  2151.67    206.454  2163.31    175.728  132.315 6.4306  132.914 5.4489  -0.5988464     8.428661 
1 1 1 -6  -18 48 o 53.713  4.1343  354.135    53.468   459.234    92.875   302.034    65.392   60.777  6.3938  49.331  5.5601  11.44588       8.473244 
1 1 1 -6  -18 49 o 102.239 5.6396  1286.79    139.363  1154.52    214.080  1384.07    183.592  95.610  9.3476  105.570 7.2103  -9.959984      11.80539 
1 1 1 -6  -18 50 o 69.507  5.7048  597.328    95.364   603.323    149.348  593.201    123.915  68.866  9.1653  68.787  7.5483  0.7919312E-01  11.87351 
1 1 1 -6  -18 51 o 34.474  5.5924  149.606    45.176   121.627    82.326   161.661    54.039   31.132  9.7809  35.673  6.4819  -4.541592      11.73372 
1 1 1 -6  -18 52 o 54.587  8.7016  381.614    111.383  381.614    111.383  0.0000     0.0000   54.587  8.7016  ?       ?       0.000000       8.701639 
1 1 1 -6  -18 53 o 72.613  5.7466  653.475    100.423  615.543    138.671  695.306    145.622  69.641  8.3744  74.119  8.2365  -4.478188      11.74602 
1 1 1 -6  -18 54 o 50.114  5.1355  311.940    61.565   331.558    118.115  304.622    72.140   50.197  10.048  49.264  6.1703  0.9330940      11.79145 
1 1 1 -6  -18 55 o 15.047  6.7726  -23.7831   51.933   36.208     124.500  -36.4203   57.142   27.314  11.364  15.152  6.9310  12.16217       13.31077 
1 1 1 -6  -18 56 o 79.324  6.0267  784.865    115.129  773.920    218.531  789.069    135.451  75.653  12.330  79.109  7.1333  -3.456123      14.24438 
1 1 1 -6  -18 57 o 60.654  4.7674  455.877    69.597   563.400    136.182  417.867    80.970   65.981  8.7199  57.742  5.8604  8.239273       10.50619 
1 1 1 -6  -18 58 o 35.530  6.9628  163.558    57.880   116.763    159.186  170.687    62.132   33.814  13.278  36.210  7.3233  -2.396275      15.16368 
1 1 1 -6  -18 59 o 18.431  7.3035  25.212     48.570   0.0000     0.0000   25.212     48.570   ?       ?       18.431  7.3035  0.000000       7.303460 
1 1 1 -6  -18 60 o 51.863  6.0425  339.681    74.614   0.0000     0.0000   339.681    74.614   ?       ?       51.863  6.0425  0.000000       6.042473 
1 1 1 -6  -18 61 o 69.311  5.2540  598.409    87.703   658.028    175.179  578.467    101.314  70.070  10.638  67.784  6.2296  2.285950       12.32769 
1 1 1 -6  -18 62 o 15.244  6.9560  -33.4123   57.110   110.711    138.435  -62.9712   62.693   32.276  12.464  14.618  6.8784  17.65816       14.23566 
1 1 1 -6  -18 63 o 41.066  9.8972  228.535    97.460   290.107    197.497  208.715    112.054  44.902  15.216  38.961  11.235  5.940647       18.91429 
1 1 1 -6  -18 64 o 45.141  9.7092  275.733    103.188  313.620    191.161  260.155    122.581  46.089  14.952  43.120  11.503  2.969620       18.86482 
1 1 1 -6  -17 1  o 303.469 9.0777  11201.16   668.427  11063.67   935.659  11344.46   955.241  301.223 12.802  305.009 12.907  -3.785736      18.17913 
1 1 1 -6  -17 2  f 149.107 5.6075  2699.70    202.876  2607.45    279.385  2802.61    295.077  146.260 7.9018  151.638 8.0486  -5.377472      11.27916 
1 1 1 -6  -17 3  o 359.796 10.518  15751.12   918.240  16298.78   1289.86  15188.39   1307.49  365.513 14.544  352.741 15.276  12.77127       21.09235 
1 1 1 -6  -17 4  o 164.341 5.9255  3279.48    236.284  3543.25    327.132  2991.77    341.653  170.764 7.8952  156.617 9.0287  14.14719       11.99384 
1 1 1 -6  -17 5  o 255.574 7.8341  7936.06    485.815  7328.48    679.638  8570.86    694.702  245.395 11.414  265.425 10.787  -20.03067      15.70480 
1 1 1 -6  -17 6  o 98.447  4.6935  1176.41    112.114  962.891    153.215  1422.52    164.492  88.746  7.1766  108.050 6.3015  -19.30382      9.550510 
1 1 1 -6  -17 7  o 254.374 7.8412  7861.08    483.971  7786.86    678.223  7938.09    690.829  252.998 11.048  255.436 11.146  -2.438782      15.69391 
1 1 1 -6  -17 8  o 217.191 6.9686  5729.07    367.239  5601.41    513.737  5862.48    525.160  214.642 9.8642  219.587 9.8565  -4.945358      13.94463 
1 1 1 -6  -17 9  o 515.753 14.485  32419.41   1812.65  32693.78   2557.65  32142.53   2569.34  516.773 20.398  512.336 20.668  4.436829       29.03849 
1 1 1 -6  -17 10 o 165.269 5.8380  3316.16    234.110  3175.43    326.414  3465.24    335.956  161.446 8.3612  168.882 8.1985  -7.436340      11.71007 
1 1 1 -6  -17 11 o 383.067 7.7741  17825.80   722.583  17620.84   1022.45  18030.31   1021.32  380.604 11.071  385.013 10.933  -4.409424      15.55954 
1 1 1 -6  -17 12 o 380.880 7.7331  17622.65   714.670  17452.48   1011.36  17792.37   1010.03  378.787 11.004  382.469 10.884  -3.681580      15.47710 
1 1 1 -6  -17 13 o 159.176 4.0460  3074.99    156.268  2900.11    221.651  3247.83    220.348  154.552 5.9106  163.563 5.5521  -9.010422      8.109332 
1 1 1 -6  -17 14 o 516.339 10.246  32418.94   1283.72  32512.25   1816.33  32325.81   1814.57  516.491 14.493  515.003 14.521  1.487549       20.51633 
1 1 1 -6  -17 15 o 227.260 5.0875  6269.44    280.537  6205.16    397.517  6333.21    395.967  226.025 7.2483  228.349 7.1465  -2.323944      10.17891 
1 1 1 -6  -17 16 o 248.406 5.4308  7491.10    327.332  7105.95    463.749  7873.50    462.089  241.846 7.9028  254.591 7.4803  -12.74518      10.88158 
1 1 1 -6  -17 17 o 109.224 3.4822  1447.74    92.287   1342.34    131.476  1550.10    129.571  105.155 5.1529  113.006 4.7254  -7.850601      6.991569 
1 1 1 -6  -17 18 o 245.726 5.3433  7330.46    318.583  7431.82    455.352  7233.27    445.886  247.333 7.5875  244.009 7.5310  3.323914       10.69050 
1 1 1 -6  -17 19 o 169.311 4.1988  3479.34    172.494  3254.31    248.784  3687.67    239.375  163.701 6.2634  174.275 5.6608  -10.57468      8.442445 
1 1 1 -6  -17 20 o 376.161 7.6784  17193.18   700.824  16567.96   996.630  17804.76   985.690  368.943 11.133  382.522 10.620  -13.57904      15.38586 
1 1 1 -6  -17 21 o 153.071 3.9438  2843.86    146.479  2924.81    212.288  2770.30    202.372  155.198 5.6374  151.046 5.5217  4.152023       7.891098 
1 1 1 -6  -17 22 o 309.142 6.4063  11609.10   480.536  12221.92   685.419  11016.72   673.890  317.009 8.9109  300.946 9.2286  16.06238       12.82852 
1 1 1 -6  -17 23 o 316.176 6.6344  12146.65   508.972  11773.17   726.023  12507.58   713.725  311.014 9.6207  320.615 9.1745  -9.600525      13.29396 
1 1 1 -6  -17 24 f 202.637 4.7511  4986.15    233.604  4590.88    336.673  5353.13    324.399  194.328 7.1402  209.886 6.3699  -15.55739      9.568572 
1 1 1 -6  -17 25 o 266.021 5.7601  8598.64    371.798  8531.01    532.606  8662.93    519.252  264.755 8.2908  266.821 8.0204  -2.066193      11.53533 
1 1 1 -6  -17 26 o 267.427 5.7407  8691.84    372.507  9011.45    534.097  8389.12    519.801  272.064 8.0907  262.493 8.1612  9.570496       11.49195 
1 1 1 -6  -17 27 o 115.254 5.1114  1614.12    142.942  1800.94    207.519  1445.44    197.180  121.448 7.0727  108.707 7.5217  12.74055       10.32471 
1 1 1 -6  -17 28 o 213.312 6.9712  5538.64    360.818  5560.55    515.722  5517.63    504.994  213.366 9.9615  212.565 9.7911  0.8009033      13.96773 
1 1 1 -6  -17 29 o 166.893 6.0117  3388.20    243.446  3551.48    349.460  3234.25    339.332  170.647 8.4399  162.603 8.6316  8.044037       12.07210 
1 1 1 -6  -17 30 o 119.252 5.2435  1728.91    151.723  1623.56    220.267  1824.02    209.290  115.137 7.9328  122.179 7.0902  -7.041832      10.63961 
1 1 1 -6  -17 31 o 139.605 3.8585  2367.11    130.703  2661.14    193.640  2121.05    177.142  147.943 5.3943  132.072 5.5277  15.87064       7.723662 
1 1 1 -6  -17 32 o 198.808 4.7151  4803.08    227.450  4937.99    330.816  4682.14    313.229  201.404 6.7695  196.136 6.5818  5.268661       9.441669 
1 1 1 -6  -17 33 o 84.816  3.4925  873.546    71.875   674.013    109.460  1024.79    95.298   74.180  6.1365  91.845  4.2763  -17.66428      7.479515 
1 1 1 -6  -17 34 o 261.273 5.8029  8302.83    367.878  7871.24    530.987  8701.22    510.154  254.005 8.6155  267.184 7.8691  -13.17952      11.66829 
1 1 1 -6  -17 35 o 138.298 4.0221  2323.31    134.967  2312.11    201.534  2332.41    181.741  137.857 6.0250  138.499 5.4081  -0.6415100     8.096153 
1 1 1 -6  -17 36 o 98.522  5.2774  1183.60    125.701  1044.15    197.462  1278.61    162.992  92.050  8.9542  102.271 6.6035  -10.22112      11.12585 
1 1 1 -6  -17 37 o 88.707  5.1781  960.054    110.969  1260.72    180.463  777.238    140.718  101.443 7.3823  79.523  7.3768  21.92002       10.43629 
1 1 1 -6  -17 38 o 171.421 6.4064  3578.20    266.468  3239.97    404.589  3837.31    354.119  162.323 10.326  177.307 8.2311  -14.98392      13.20521 
1 1 1 -6  -17 39 o 194.900 4.7678  4618.83    225.473  4741.18    332.558  4514.73    306.739  197.217 6.9496  192.499 6.5672  4.718719       9.561599 
1 1 1 -6  -17 40 o 203.682 4.8689  5046.37    240.630  5314.80    354.563  4817.17    327.635  208.738 7.0005  198.757 6.7937  9.981079       9.755051 
1 1 1 -6  -17 41 o 59.363  3.9266  430.244    56.239   355.129    92.275   474.635    70.936   53.435  7.3085  62.280  4.7294  -8.845165      8.705291 
1 1 1 -6  -17 42 o 108.217 3.8459  1423.98    100.985  1292.19    156.753  1517.48    132.036  102.702 6.3210  111.638 4.8744  -8.936325      7.982168 
1 1 1 -6  -17 43 o 131.104 4.0463  2091.43    128.719  2045.84    197.057  2125.36    169.998  129.400 6.2761  132.024 5.3067  -2.623199      8.218951 
1 1 1 -6  -17 44 o 52.067  4.1362  332.148    51.825   382.788    86.229   303.512    64.842   55.552  6.5212  49.563  5.4837  5.988739       8.520357 
1 1 1 -6  -17 45 o 149.963 4.2673  2740.51    155.276  2840.14    236.664  2665.21    205.752  152.242 6.4067  147.623 5.7441  4.619156       8.604695 
1 1 1 -6  -17 46 o 191.126 4.8214  4460.41    223.592  4595.56    334.445  4351.18    300.660  193.263 7.1320  188.249 6.5823  5.013931       9.705278 
1 1 1 -6  -17 47 o 140.942 4.1917  2423.18    143.348  2639.48    221.696  2267.77    187.916  146.617 6.2318  136.036 5.6931  10.58107       8.440732 
1 1 1 -6  -17 48 o 45.514  4.5435  255.551    49.506   270.406    86.539   248.325    60.359   46.082  8.0316  44.646  5.7020  1.435734       9.849851 
1 1 1 -6  -17 49 o 76.641  5.6715  724.745    104.719  657.038    163.582  771.759    136.311  71.818  9.6298  78.704  7.2183  -6.885895      12.03486 
1 1 1 -6  -17 50 o 84.374  5.6354  877.871    114.709  823.473    177.071  917.207    150.577  80.622  9.2174  85.791  7.3030  -5.169670      11.75988 
1 1 1 -6  -17 51 f 64.100  7.3529  515.455    112.292  515.455    112.292  0.0000     0.0000   64.100  7.3529  ?       ?       0.000000       7.352856 
1 1 1 -6  -17 52 o 70.652  7.7167  627.806    130.137  627.806    130.137  0.0000     0.0000   70.652  7.7167  ?       ?       0.000000       7.716741 
1 1 1 -6  -17 53 o 125.249 4.3409  1919.94    131.921  1912.37    212.130  1924.71    168.460  123.918 7.0845  125.058 5.5516  -1.140068      9.000570 
1 1 1 -6  -17 54 f 50.704  5.0457  318.983    61.252   277.073    112.844  336.488    72.932   45.699  10.409  51.886  5.8978  -6.186790      11.96411 
1 1 1 -6  -17 55 o 42.271  7.4366  229.533    73.490   151.723    148.060  254.969    84.655   35.919  13.089  44.383  8.1616  -8.464371      15.42552 
1 1 1 -6  -17 56 o 26.900  9.0948  87.619     70.554   0.0000     0.0000   87.619     70.554   ?       ?       26.900  9.0948  0.000000       9.094750 
1 1 1 -6  -17 57 f 14.929  6.5153  -7.0629    44.529   86.349     92.479   -35.2567   50.807   28.027  10.325  14.106  6.4829  13.92116       12.19144 
1 1 1 -6  -17 58 o 24.074  7.8972  71.411     53.274   18.407     197.840  75.555     55.317   31.597  13.763  24.678  8.0449  6.918764       15.94158 
1 1 1 -6  -17 59 o 24.409  8.3136  71.696     58.959   0.0000     0.0000   71.696     58.959   ?       ?       24.409  8.3136  0.000000       8.313630 
1 1 1 -6  -17 60 o 14.667  6.4327  -8.5957    43.887   -319.1754  126.947  33.563     46.771   15.974  7.9777  19.086  7.2759  -3.112365      10.79736 
1 1 1 -6  -17 61 o 32.350  8.3364  138.502    65.846   154.168    145.287  134.453    73.867   35.426  12.958  31.858  9.1022  3.568472       15.83519 
1 1 1 -6  -17 62 o 43.544  7.0210  243.914    71.658   365.004    144.034  204.085    82.606   51.334  11.809  39.150  8.8978  12.18348       14.78628 
1 1 1 -6  -17 63 o 60.139  8.4342  470.872    119.689  656.645    219.695  392.463    142.730  67.762  13.830  53.388  11.367  14.37370       17.90172 
1 1 1 -6  -17 64 o 26.973  10.214  77.114     91.793   143.731    187.626  56.153     105.248  36.125  14.342  26.454  10.660  9.671124       17.86982 
1 1 1 -6  -16 1  o 75.559  3.3584  692.847    61.572   803.810    90.131   595.749    84.313   81.246  4.5909  69.874  5.0061  11.37195       6.792453 
1 1 1 -6  -16 2  o 243.261 5.4316  7184.38    320.599  7055.90    454.298  7311.83    452.498  240.986 7.7694  245.325 7.6017  -4.339355      10.86962 
1 1 1 -6  -16 3  o 272.408 5.9129  9009.94    390.826  9073.86    553.464  8946.37    551.961  273.263 8.3473  271.335 8.3838  1.928406       11.83066 
1 1 1 -6  -16 4  o 304.620 6.3917  11267.90   472.428  11311.36   668.961  11224.65   667.271  305.069 9.0373  303.896 9.0493  1.172211       12.78913 
1 1 1 -6  -16 5  o 746.487 14.600  67915.17   2644.51  67406.73   3740.88  68423.09   3738.94  741.952 20.779  747.580 20.612  -5.627747      29.26864 
1 1 1 -6  -16 6  o 83.702  4.5755  852.883    92.575   973.554    126.765  714.981    135.513  89.355  5.8796  76.366  7.4065  12.98849       9.456522 
1 1 1 -6  -16 7  o 256.775 7.8787  8009.33    490.876  7834.97    688.428  8189.66    700.127  253.799 11.179  259.484 11.120  -5.684723      15.76780 
1 1 1 -6  -16 8  o 999.967 27.660  123212.30  6711.14  123367.50  9485.22  123056.60  9496.76  992.770 39.376  991.440 39.477  1.329651       55.75777 
1 1 1 -6  -16 9  o 650.984 17.989  51751.04   2841.39  49171.16   4012.91  54344.92   4023.78  632.255 26.158  665.102 24.933  -32.84778      36.13741 
1 1 1 -6  -16 10 o 192.276 6.4042  4488.93    298.779  4399.28    418.328  4582.28    426.878  190.267 9.0613  194.184 9.0599  -3.917099      12.81364 
1 1 1 -6  -16 11 o 41.781  4.7149  214.579    46.963   165.253    63.697   273.328    69.515   36.220  7.4950  47.035  6.2455  -10.81548      9.756089 
1 1 1 -6  -16 12 o 190.718 6.3947  4416.48    295.921  4648.10    415.423  4177.87    421.636  195.585 8.7537  185.167 9.4155  10.41747       12.85610 
1 1 1 -6  -16 13 o 658.221 12.845  52738.67   2051.57  51262.39   2902.21  54213.23   2900.50  647.792 18.464  666.304 17.941  -18.51172      25.74469 
1 1 1 -6  -16 14 o 987.376 19.168  119164.90  4592.24  118894.50  6495.21  119435.20  6493.60  982.526 27.245  984.795 27.175  -2.269226      38.48099 
1 1 1 -6  -16 15 o 246.243 5.4013  7360.76    322.720  7383.47    457.181  7338.22    455.613  246.548 7.6423  245.791 7.6395  0.7565308      10.80586 
1 1 1 -6  -16 16 o 90.629  3.2268  996.705    70.959   829.885    103.666  1143.77    97.335   82.520  5.2041  97.079  4.1322  -14.55899      6.645126 
1 1 1 -6  -16 17 o 739.402 14.438  66624.63   2590.33  65223.04   3668.08  68018.92   3658.50  729.864 20.713  745.501 20.225  -15.63751      28.94930 
1 1 1 -6  -16 18 o 306.095 6.3686  11377.19   473.002  11524.14   673.926  11234.52   664.036  307.926 9.0199  304.034 9.0013  3.892731       12.74293 
1 1 1 -6  -16 19 o 296.223 6.2364  10655.13   448.249  10444.57   639.049  10859.07   628.913  293.141 8.9845  298.920 8.6711  -5.779114      12.48632 
1 1 1 -6  -16 20 o 256.265 5.5570  7973.27    345.534  7864.54    493.903  8077.51    483.579  254.410 8.0010  257.845 7.7294  -3.434937      11.12472 
1 1 1 -6  -16 21 o 77.048  3.2452  720.403    60.669   977.033    91.060   515.559    81.355   89.720  4.1829  64.958  5.2054  24.76239       6.677785 
1 1 1 -6  -16 22 o 513.005 10.149  32020.59   1263.26  32359.60   1792.61  31686.15   1780.48  514.973 14.346  509.576 14.400  5.397827       20.32673 
1 1 1 -6  -16 23 o 467.770 9.3290  26618.14   1058.84  26776.17   1503.80  26462.76   1491.14  468.515 13.228  465.772 13.194  2.743469       18.68345 
1 1 1 -6  -16 24 o 452.986 9.0623  24967.81   996.067  25095.09   1415.36  24842.91   1402.04  453.464 12.863  451.192 12.807  2.272461       18.15157 
1 1 1 -6  -16 25 o 312.128 6.4973  11840.38   492.073  12284.58   703.005  11413.71   689.000  317.656 9.1209  306.172 9.2745  11.48462       13.00794 
1 1 1 -6  -16 26 o 326.198 6.7424  12937.85   533.650  13318.12   762.148  12572.09   747.456  330.595 9.5012  321.189 9.5909  9.406158       13.50033 
1 1 1 -6  -16 27 o 304.054 6.4837  11242.77   478.345  10565.77   684.063  11890.57   669.146  294.343 9.5781  312.374 8.8284  -18.03036      13.02615 
1 1 1 -6  -16 28 o 288.617 8.7549  10155.95   613.109  9860.54    872.118  10444.62   862.102  283.624 12.673  292.021 12.167  -8.396362      17.56787 
1 1 1 -6  -16 29 o 185.430 6.3905  4183.62    287.526  4345.84    412.068  4029.71    401.390  188.722 8.9987  181.486 9.1444  7.236404       12.82958 
1 1 1 -6  -16 30 o 278.220 8.5100  9441.60    574.485  9548.15    818.012  9337.91    806.991  279.026 12.082  275.944 12.053  3.081757       17.06604 
1 1 1 -6  -16 31 f 177.021 4.3902  3807.19    188.572  3937.23    275.599  3692.71    258.577  179.882 6.3143  174.223 6.1167  5.659363       8.791194 
1 1 1 -6  -16 32 o 140.640 3.9636  2402.43    135.257  2382.55    200.317  2419.08    183.370  139.960 5.8986  141.060 5.3575  -1.099945      7.968470 
1 1 1 -6  -16 33 o 68.823  3.5301  576.687    58.752   527.574    92.034   610.468    76.328   65.604  5.8428  70.743  4.4696  -5.139397      7.356360 
1 1 1 -6  -16 34 o 316.570 6.7422  12199.19   517.890  11813.31   743.460  12562.95   721.834  310.933 9.8543  320.777 9.2741  -9.844330      13.53204 
1 1 1 -6  -16 35 o 188.209 4.6849  4304.61    213.945  4186.19    313.944  4407.29    292.339  185.415 6.9782  190.310 6.3308  -4.895294      9.422035 
1 1 1 -6  -16 36 o 234.208 6.0329  6673.79    342.839  7324.56    430.212  5541.34    567.519  245.209 7.2307  212.426 11.049  32.78362       13.20443 
1 1 1 -6  -16 37 o 226.556 7.3754  6254.94    405.439  6495.92    600.908  6053.56    549.314  230.303 10.753  222.432 10.178  7.870819       14.80625 
1 1 1 -6  -16 38 o 167.463 6.2820  3414.12    255.257  3271.93    389.038  3521.61    338.244  163.234 9.8688  169.871 8.2063  -6.637497      12.83498 
1 1 1 -6  -16 39 o 277.827 8.6688  9432.45    584.386  9402.76    856.977  9458.26    798.962  276.222 12.786  277.333 11.873  -1.111053      17.44873 
1 1 1 -6  -16 40 o 96.761  3.7552  1137.62    88.166   1280.09    138.038  1039.46    114.582  102.396 5.5769  92.288  5.1373  10.10747       7.582430 
1 1 1 -6  -16 41 o 106.123 3.8483  1368.89    99.093   1335.60    153.998  1392.41    129.454  104.502 6.0998  106.963 4.9879  -2.461273      7.879525 
1 1 1 -6  -16 42 o 148.166 4.1956  2670.40    150.837  2814.77    228.587  2559.06    200.746  151.881 6.2028  144.881 5.7105  6.999802       8.431108 
1 1 1 -6  -16 43 o 152.392 4.2817  2826.65    158.322  2836.53    239.292  2818.96    211.143  152.339 6.4737  151.989 5.7253  0.3496552      8.642237 
1 1 1 -6  -16 44 o 214.529 5.1368  5614.31    267.390  5752.57    395.232  5497.62    363.100  216.475 7.5246  211.770 7.0664  4.704987       10.32245 
1 1 1 -6  -16 45 o 83.890  4.1897  857.425    85.281   895.771    170.157  844.561    98.552   84.817  8.3775  83.049  4.9125  1.767632       9.711606 
1 1 1 -6  -16 46 o 49.854  4.3651  305.404    52.271   224.310    88.841   348.339    64.644   41.762  9.0304  53.158  5.0734  -11.39679      10.35793 
1 1 1 -6  -16 47 o 82.433  3.8347  828.143    76.699   999.692    125.297  725.339    96.996   90.137  5.7590  76.824  5.2347  13.31271       7.782561 
1 1 1 -6  -16 48 o 61.468  4.1162  463.038    61.037   477.095    103.053  455.442    75.754   61.828  6.9922  60.780  5.1863  1.047955       8.705657 
1 1 1 -6  -16 49 o 76.247  5.7170  717.454    104.997  660.513    164.032  756.979    136.664  72.025  9.6269  77.922  7.3138  -5.897087      12.09007 
1 1 1 -6  -16 50 o 104.489 8.9660  1373.57    225.115  1373.57    225.115  0.0000     0.0000   104.489 8.9660  ?       ?       0.000000       8.965997 
1 1 1 -6  -16 51 o 23.953  9.1888  50.540     74.892   50.540     74.892   0.0000     0.0000   23.953  9.1888  ?       ?       0.000000       9.188760 
1 1 1 -6  -16 52 o 49.779  5.7541  308.737    68.219   219.850    107.977  367.787    88.009   40.835  10.750  54.116  6.8563  -13.28061      12.75061 
1 1 1 -6  -16 53 o 142.494 4.4768  2486.34    154.785  2528.31    246.141  2458.89    199.073  142.692 7.1092  141.260 5.8080  1.431732       9.180097 
1 1 1 -6  -16 54 f 91.854  4.2851  1033.27    95.503   1242.27    163.513  925.048    117.657  99.798  6.7929  86.441  5.6406  13.35777       8.829515 
1 1 1 -6  -16 55 o 68.028  6.1133  577.635    99.831   468.165    197.181  615.367    115.765  57.882  14.157  69.968  6.9091  -12.08534      15.75286 
1 1 1 -6  -16 56 f 19.698  7.9086  25.477     57.698   16.863     137.872  27.306     63.529   27.354  11.697  20.566  8.2840  6.787296       14.33300 
1 1 1 -6  -16 57 o 20.951  7.5851  47.076     49.601   25.529     116.602  51.836     54.807   25.856  10.893  21.961  7.9698  3.895624       13.49753 
1 1 1 -6  -16 58 o 33.792  7.9868  150.314    64.451   0.0000     0.0000   150.314    64.451   ?       ?       33.792  7.9868  0.000000       7.986842 
1 1 1 -6  -16 59 o 17.539  7.3554  9.0435     52.765   0.0000     0.0000   9.0435     52.765   ?       ?       17.539  7.3554  0.000000       7.355404 
1 1 1 -6  -16 60 o 22.621  7.9492  58.777     54.067   -95.0177   120.936  97.194     60.443   20.845  9.7255  27.434  8.3402  -6.588755      12.81192 
1 1 1 -6  -16 61 o 53.752  6.0575  364.156    77.628   291.375    146.264  392.696    91.592   45.562  12.736  55.528  6.9502  -9.965977      14.50877 
1 1 1 -6  -16 62 o 51.150  6.3384  331.449    76.980   406.061    154.460  306.792    88.794   54.097  12.074  48.671  7.7810  5.426311       14.36363 
1 1 1 -6  -16 63 o 41.950  10.381  240.057    105.094  425.524    200.160  169.467    123.485  53.684  14.860  35.770  12.032  17.91396       19.12093 
1 1 1 -6  -16 64 f 18.190  8.3232  -46.2220   82.480   -95.2502   176.602  -32.5442   93.278   25.801  11.940  20.180  9.0803  5.621519       15.00019 
1 1 1 -6  -15 1  o 261.613 5.7156  8309.48    362.817  8346.57    514.006  8272.65    512.200  262.100 8.0823  260.936 8.0899  1.163513       11.43547 
1 1 1 -6  -15 2  o 359.424 7.3741  15691.26   643.104  15826.02   910.320  15557.00   908.655  360.755 10.400  357.670 10.470  3.084991       14.75725 
1 1 1 -6  -15 3  o 432.430 8.7219  22722.36   915.150  22648.59   1294.92  22795.97   1293.52  431.382 12.371  432.789 12.318  -1.407257      17.45787 
1 1 1 -6  -15 4  o 580.933 11.412  41052.02   1608.58  41009.06   2275.88  41094.91   2273.89  579.857 16.176  580.469 16.145  -0.6124878     22.85390 
1 1 1 -6  -15 5  f 805.910 15.714  79184.62   3072.88  78614.88   4346.62  79753.84   4344.79  800.995 22.364  806.838 22.193  -5.842224      31.50719 
1 1 1 -6  -15 6  o 244.042 5.3732  7229.54    318.172  7105.56    450.699  7352.72    449.230  241.869 7.6797  246.045 7.5247  -4.176300      10.75168 
1 1 1 -6  -15 7  o 265.349 5.7249  8547.66    368.595  8338.97    522.088  8755.06    520.460  262.001 8.2125  268.468 7.9897  -6.466461      11.45778 
1 1 1 -6  -15 8  o 470.985 13.249  27003.75   1514.10  26192.34   2136.14  27822.99   2146.41  463.024 19.014  477.302 18.533  -14.27844      26.55186 
1 1 1 -6  -15 9  o 526.359 14.681  33752.21   1875.04  32047.13   2647.14  35469.11   2656.29  511.716 21.320  538.557 20.327  -26.84085      29.45735 
1 1 1 -6  -15 10 o 93.158  4.5885  1053.29    103.718  1011.22    143.918  1098.75    149.605  91.023  6.5602  94.902  6.5368  -3.878975      9.260974 
1 1 1 -6  -15 11 o 93.017  4.5966  1050.11    103.743  854.078    144.343  1259.57    149.208  83.554  7.1898  101.675 6.0758  -18.12149      9.413179 
1 1 1 -6  -15 12 o 537.015 15.016  35139.38   1956.60  34697.00   2764.36  35583.48   2769.76  532.437 21.398  539.246 21.169  -6.809021      30.09919 
1 1 1 -6  -15 13 o 467.204 13.198  26571.12   1496.17  26668.74   2113.67  26473.10   2118.14  467.281 18.642  465.545 18.751  1.735352       26.44118 
1 1 1 -6  -15 14 o 256.636 5.5776  7995.23    347.319  7934.45    491.875  8055.66    490.496  255.579 7.9317  257.527 7.8496  -1.947998      11.15921 
1 1 1 -6  -15 15 o 236.608 5.1714  6795.50    296.894  6989.77    423.957  6608.54    415.901  239.904 7.2831  233.268 7.3480  6.636337       10.34590 
1 1 1 -6  -15 16 o 808.090 15.738  79613.84   3085.92  78112.02   4368.95  81109.09   4359.38  798.373 22.553  813.714 22.079  -15.34155      31.56179 
1 1 1 -6  -15 17 o 573.561 11.189  40012.34   1557.12  41656.52   2207.05  38382.86   2197.17  584.536 15.561  560.993 16.141  23.54248       22.42080 
1 1 1 -6  -15 18 o 439.103 8.8063  23429.75   938.260  23141.29   1331.97  23713.86   1321.88  436.026 12.590  441.415 12.342  -5.389465      17.63025 
1 1 1 -6  -15 19 o 368.559 7.4861  16499.59   669.462  16760.85   952.124  16244.13   941.489  371.243 10.570  365.472 10.617  5.771210       14.98135 
1 1 1 -6  -15 20 o 269.940 5.7814  8847.01    378.674  8952.51    540.905  8745.60    530.304  271.441 8.2126  268.289 8.1462  3.151825       11.56755 
1 1 1 -6  -15 21 o 521.385 10.301  33063.82   1303.23  33164.10   1848.84  32964.79   1837.31  521.506 14.611  519.946 14.563  1.560791       20.62930 
1 1 1 -6  -15 22 o 228.498 5.1194  6338.58    283.835  6245.05    407.274  6426.91    395.779  226.722 7.4034  230.013 7.0915  -3.290909      10.25177 
1 1 1 -6  -15 23 o 203.639 4.8173  5034.38    238.029  4395.94    342.697  5629.49    330.862  190.203 7.4256  215.287 6.3338  -25.08450      9.759918 
1 1 1 -6  -15 24 o 180.326 4.4363  3947.58    194.110  3499.27    280.718  4358.33    268.702  169.704 6.8173  189.431 5.8459  -19.72690      8.980586 
1 1 1 -6  -15 25 o 483.155 9.6832  28423.21   1135.19  27579.40   1612.66  29252.01   1598.24  475.000 13.992  489.328 13.461  -14.32809      19.41602 
1 1 1 -6  -15 26 o 60.198  3.4263  441.303    49.839   626.463    75.578   298.831    66.296   71.695  4.3653  49.274  5.6471  22.42174       7.137580 
1 1 1 -6  -15 27 o 468.401 9.4043  26743.27   1068.82  26556.00   1519.70  26926.58   1503.52  465.616 13.451  468.932 13.214  -3.315918      18.85601 
1 1 1 -6  -15 28 o 389.633 11.255  18561.52   1064.10  19457.72   1509.73  17676.79   1500.05  397.497 15.653  378.622 16.328  18.87485       22.61918 
1 1 1 -6  -15 29 o 277.691 8.5064  9401.73    573.156  9316.52    815.680  9484.83    805.545  275.713 12.193  278.252 11.931  -2.538940      17.05920 
1 1 1 -6  -15 30 o 119.249 5.3111  1728.76    153.676  1596.52    223.660  1847.03    211.510  114.156 8.1278  122.957 7.1200  -8.800735      10.80528 
1 1 1 -6  -15 31 o 98.078  3.5326  1168.07    84.068   1170.10    127.032  1166.49    112.137  97.959  5.3649  97.976  4.7170  -0.1752472E-01 7.143641 
1 1 1 -6  -15 32 o 319.429 6.8119  12420.18   527.965  11849.93   756.821  12960.80   736.888  311.409 10.016  325.835 9.3205  -14.42603      13.68189 
1 1 1 -6  -15 33 o 209.954 4.9260  5357.20    250.949  5404.50    365.140  5314.85    345.466  210.677 7.1430  208.957 6.8137  1.720383       9.871622 
1 1 1 -6  -15 34 o 272.536 5.9676  9034.45    394.625  9003.41    569.028  9063.21    547.749  271.686 8.6318  272.645 8.2798  -0.9592590     11.96092 
1 1 1 -6  -15 35 f 345.840 7.0110  14563.45   588.330  14553.90   836.912  14572.78   827.221  345.080 9.9953  345.335 9.8723  -0.2548218     14.04878 
1 1 1 -6  -15 36 o 104.149 3.6042  1317.29    91.080   1282.36    131.171  1349.81    126.566  102.565 5.2888  105.381 4.9499  -2.815712      7.243801 
1 1 1 -6  -15 37 o 74.568  5.3911  679.674    96.884   469.955    161.733  797.052    120.997  60.969  11.350  80.690  6.2282  -19.72048      12.94679 
1 1 1 -6  -15 38 o 98.138  5.2952  1174.68    125.624  1312.46    204.462  1091.13    159.223  103.387 8.2182  94.379  7.0029  9.008667       10.79720 
1 1 1 -6  -15 39 o 86.876  5.3362  921.584    111.941  868.381    184.923  952.355    140.634  83.765  9.2528  88.170  6.6220  -4.404808      11.37827 
1 1 1 -6  -15 40 o 260.008 5.7021  8230.47    359.741  8035.31    513.740  8418.21    503.902  256.418 8.2572  262.535 7.9103  -6.116943      11.43479 
1 1 1 -6  -15 41 o 275.061 5.9267  9219.41    395.552  9090.97    564.933  9342.94    554.018  272.494 8.5443  276.326 8.2630  -3.831787      11.88622 
1 1 1 -6  -15 42 o 140.923 3.9465  2414.94    134.944  2344.69    194.147  2480.59    187.696  138.674 5.7699  142.678 5.4217  -4.003754      7.917474 
1 1 1 -6  -15 43 o 109.026 3.6499  1445.51    96.555   1408.22    139.304  1479.98    133.951  107.466 5.3423  110.203 5.0094  -2.737923      7.323568 
1 1 1 -6  -15 44 o 123.573 4.2171  1859.46    126.443  1993.05    207.367  1780.40    159.532  127.397 6.7323  120.768 5.4442  6.629128       8.658080 
1 1 1 -6  -15 45 o 123.057 4.5116  1846.22    134.712  1772.86    254.373  1874.82    158.810  119.451 8.8392  123.894 5.2828  -4.443253      10.29753 
1 1 1 -6  -15 46 o 74.922  3.8573  685.599    69.886   761.001    114.838  641.249    88.072   78.575  6.0704  72.275  5.0539  6.299591       7.898859 
1 1 1 -6  -15 47 o 11.802  5.3686  -20.7772   33.680   114.824    67.864   -65.0890   38.794   30.099  8.7616  10.304  4.9954  19.79541       10.08564 
1 1 1 -6  -15 48 o 20.756  6.6333  51.951     37.732   43.693     69.964   55.338     44.806   22.922  8.8580  21.743  7.2478  1.178801       11.44524 
1 1 1 -6  -15 49 o 43.344  6.6652  236.629    67.852   46.664     111.445  348.526    85.533   27.156  10.960  52.742  6.8450  -25.58554      12.92203 
1 1 1 -6  -15 50 o 47.402  10.716  294.633    120.358  294.633    120.358  0.0000     0.0000   47.402  10.716  ?       ?       0.000000       10.71611 
1 1 1 -6  -15 51 o 48.562  8.6645  302.638    98.350   302.638    98.350   0.0000     0.0000   48.562  8.6645  ?       ?       0.000000       8.664543 
1 1 1 -6  -15 52 o 36.950  7.1914  174.757    62.156   249.000    102.265  131.263    78.273   43.596  9.8941  31.988  9.4378  11.60728       13.67353 
1 1 1 -6  -15 53 o 17.684  7.0864  19.587     46.226   68.677     93.588   3.7450     53.164   26.998  10.292  17.296  7.3249  9.702103       12.63253 
1 1 1 -6  -15 54 o 59.401  4.7179  435.615    67.440   442.930    123.829  432.531    80.411   58.623  8.9924  58.959  5.6916  -0.3357201     10.64224 
1 1 1 -6  -15 55 o 86.981  6.0562  941.190    127.020  910.309    237.040  953.630    150.442  82.547  12.202  87.124  7.1805  -4.577095      14.15832 
1 1 1 -6  -15 56 o 19.569  7.9420  22.346     58.871   186.009    141.135  -12.1295   64.775   37.902  12.863  17.797  7.8099  20.10518       15.04824 
1 1 1 -6  -15 57 o 74.088  5.1769  681.079    92.480   638.140    243.045  688.349    100.003  66.374  15.390  74.351  5.5840  -7.976479      16.37218 
1 1 1 -6  -15 58 o 68.091  5.6792  579.150    92.975   0.0000     0.0000   579.150    92.975   ?       ?       68.091  5.6792  0.000000       5.679249 
1 1 1 -6  -15 59 o 14.165  6.3921  -22.2437   46.612   -71.8722   113.568  -12.1899   51.116   20.910  9.6405  15.640  6.8980  5.270672       11.85413 
1 1 1 -6  -15 60 o 20.824  8.0240  38.841     57.282   -20.9831   118.140  57.228     65.495   23.555  10.433  23.397  8.6756  0.1587543      13.56880 
1 1 1 -6  -15 61 o 32.386  8.2423  138.464    64.932   80.950     128.510  158.180    75.244   29.944  11.875  34.488  8.9235  -4.543816      14.85443 
1 1 1 -6  -15 62 o 53.551  6.0302  361.443    76.992   235.935    142.258  413.434    91.560   41.267  12.840  57.062  6.7433  -15.79485      14.50276 
1 1 1 -6  -15 63 o 52.593  9.1064  365.831    112.001  198.944    204.209  437.629    133.944  39.831  15.199  57.170  10.021  -17.33869      18.20498 
1 1 1 -6  -14 1  o 82.500  3.2521  825.920    65.100   843.974    92.880   808.486    91.273   83.260  4.6156  81.484  4.6356  1.776146       6.541571 
1 1 1 -6  -14 2  o 467.660 9.3966  26580.08   1066.27  26763.70   1508.64  26396.80   1507.22  468.865 13.261  465.630 13.340  3.234650       18.81012 
1 1 1 -6  -14 3  o 57.949  3.1260  408.664    43.791   372.379    62.184   444.361    61.679   55.191  4.6878  60.361  4.2381  -5.169918      6.319615 
1 1 1 -6  -14 4  o 343.816 7.0628  14354.93   589.206  14348.18   834.082  14361.65   832.447  343.570 10.005  343.733 9.9809  -0.1628723     14.13241 
1 1 1 -6  -14 5  o 399.788 8.1029  19414.87   786.021  19841.36   1112.53  18989.81   1110.67  403.913 11.352  395.131 11.585  8.782562       16.21925 
1 1 1 -6  -14 6  o 311.387 6.4757  11772.79   489.274  11669.24   692.805  11875.82   691.075  309.889 9.2138  312.626 9.1104  -2.736542      12.95737 
1 1 1 -6  -14 7  o 684.968 13.366  57112.50   2221.44  56474.98   3142.27  57749.46   3140.92  679.962 19.046  687.646 18.825  -7.683350      26.77880 
1 1 1 -6  -14 8  o 181.604 4.3555  4002.58    191.925  4024.64    271.952  3980.70    270.895  182.072 6.1558  181.075 6.1657  0.9966888      8.712615 
1 1 1 -6  -14 9  o 350.298 10.172  14915.95   864.593  14972.25   1219.16  14858.99   1226.31  350.625 14.330  349.283 14.470  1.341888       20.36488 
1 1 1 -6  -14 10 o 238.052 7.4326  6882.20    429.318  6876.14    604.485  6888.37    609.844  237.826 10.475  238.033 10.559  -0.2074738     14.87343 
1 1 1 -6  -14 11 o 346.833 10.092  14621.85   849.275  14613.20   1198.66  14630.57   1203.47  346.401 14.261  346.603 14.310  -0.2013550     20.20279 
1 1 1 -6  -14 12 o 187.559 6.3148  4271.04    287.384  3907.91    404.639  4640.65    408.230  179.086 9.3444  195.443 8.6083  -16.35732      12.70515 
1 1 1 -6  -14 13 o 677.800 18.794  56105.78   3090.82  56140.39   4369.06  56071.09   4373.12  675.765 26.646  675.334 26.688  0.4311523      37.71236 
1 1 1 -6  -14 14 o 295.693 6.1098  10615.00   438.357  11929.45   624.120  9335.26    615.824  313.378 8.2080  277.175 9.1567  36.20288       12.29699 
1 1 1 -6  -14 15 o 401.510 8.0812  19582.31   787.297  19682.51   1117.91  19483.71   1108.96  402.286 11.453  400.252 11.419  2.033813       16.17255 
1 1 1 -6  -14 16 f 345.248 7.0142  14474.52   587.591  15414.98   835.655  13554.81   826.382  356.137 9.6704  333.925 10.199  22.21201       14.05497 
1 1 1 -6  -14 17 o 68.921  3.1058  576.395    51.938   584.103    77.011   569.963    70.345   69.219  4.6116  68.398  4.2598  0.8215637      6.277948 
1 1 1 -6  -14 18 o 481.251 9.6417  28149.95   1125.87  26401.50   1597.27  29876.51   1587.23  465.573 14.139  495.392 13.205  -29.81793      19.34630 
1 1 1 -6  -14 19 o 92.868  3.2995  1046.55    74.348   1094.37    109.190  1005.22    101.518  94.955  4.7392  90.889  4.6185  4.065979       6.617418 
1 1 1 -6  -14 20 o 404.320 8.1679  19861.03   801.306  19595.31   1138.72  20121.69   1127.79  401.307 11.694  406.688 11.429  -5.380859      16.35170 
1 1 1 -6  -14 21 o 213.189 4.8366  5516.88    250.191  5792.80    359.421  5257.49    348.479  218.400 6.7825  208.060 6.9028  10.33951       9.677284 
1 1 1 -6  -14 22 o 254.276 5.5276  7849.96    341.038  7885.40    488.304  7816.20    476.513  254.751 7.8997  253.639 7.7428  1.112869       11.06142 
1 1 1 -6  -14 23 o 496.662 9.9781  30006.13   1202.46  28146.04   1707.25  31837.27   1693.92  480.285 14.650  510.999 13.662  -30.71368      20.03155 
1 1 1 -6  -14 24 o 166.516 4.2595  3365.75    172.098  3083.62    249.654  3621.22    237.564  159.327 6.4578  172.683 5.6698  -13.35562      8.593575 
1 1 1 -6  -14 25 o 345.858 7.1144  14538.21   597.032  14935.94   851.691  14153.95   837.159  350.247 10.022  340.944 10.120  9.303955       14.24221 
1 1 1 -6  -14 26 o 135.796 3.8240  2238.61    125.998  2283.98    185.105  2199.45    171.993  137.118 5.5637  134.566 5.2676  2.552231       7.661719 
1 1 1 -6  -14 27 o 305.640 6.4287  11356.92   476.758  11606.42   682.261  11118.81   666.492  308.656 9.1099  302.105 9.0923  6.550812       12.87087 
1 1 1 -6  -14 28 o 174.731 6.0599  3712.01    256.922  4098.54    355.002  3286.91    372.301  183.458 7.9750  163.908 9.4005  19.55019       12.32759 
1 1 1 -6  -14 29 o 351.432 10.217  15087.57   871.186  15110.54   1222.59  15063.88   1241.72  350.519 14.375  349.893 14.626  0.6250916      20.50748 
1 1 1 -6  -14 30 o 25.797  6.6312  84.060     41.736   78.855     53.856   91.884     66.035   25.501  7.8945  27.685  8.7676  -2.183668      11.79807 
1 1 1 -6  -14 31 o 289.140 8.6773  10197.47   608.772  10371.74   850.738  10014.58   871.504  290.873 12.054  285.692 12.572  5.181671       17.41707 
1 1 1 -6  -14 32 o 143.522 3.8890  2501.70    135.433  2322.61    194.025  2671.88    189.132  138.200 5.7861  148.258 5.2576  -10.05794      7.817983 
1 1 1 -6  -14 33 o 278.086 5.8727  9404.78    396.259  9668.54    564.314  9148.22    556.557  281.625 8.2582  273.924 8.3737  7.701172       11.76080 
1 1 1 -6  -14 34 o 407.628 8.3636  20259.17   827.224  19890.93   1174.36  20621.83   1165.43  402.845 12.014  410.285 11.707  -7.440125      16.77478 
1 1 1 -6  -14 35 o 275.277 5.9356  9217.01    396.458  9237.77    565.195  9196.91    556.263  275.223 8.4635  274.633 8.3476  0.5900269      11.88754 
1 1 1 -6  -14 36 o 135.212 3.7925  2220.43    124.425  2124.58    178.545  2310.94    173.491  132.179 5.5670  137.875 5.1859  -5.696625      7.608249 
1 1 1 -6  -14 37 o 115.029 5.6264  1609.32    157.038  1137.33    246.679  1930.95    203.631  95.789  10.802  125.758 6.6975  -29.96973      12.70983 
1 1 1 -6  -14 38 o 97.157  5.4087  1151.62    127.001  1130.39    204.630  1164.92    161.972  95.798  8.9053  97.552  6.8872  -1.754066      11.25780 
1 1 1 -6  -14 39 o 225.900 7.4060  6223.12    405.944  6507.08    604.559  5989.98    547.809  230.326 10.818  221.116 10.210  9.209244       14.87529 
1 1 1 -6  -14 40 o 146.443 4.0986  2606.46    145.635  2710.81    209.624  2509.11    202.480  149.212 5.7899  143.552 5.8131  5.660416       8.204608 
1 1 1 -6  -14 41 o 159.516 4.1637  3093.79    161.158  3053.85    231.415  3131.39    224.562  158.295 6.0250  160.322 5.7727  -2.026886      8.344161 
1 1 1 -6  -14 42 o 50.364  3.7856  310.132    45.924   246.914    65.049   372.950    64.843   44.568  6.1817  55.130  4.8985  -10.56180      7.887219 
1 1 1 -6  -14 43 o 197.946 4.7883  4773.08    229.981  4890.44    330.468  4662.86    320.256  199.949 6.8115  195.254 6.7598  4.695663       9.596457 
1 1 1 -6  -14 44 o 29.494  5.4499  109.524    37.565   106.721    54.151   112.125    52.156   28.962  7.6075  29.654  7.2980  -0.6928310     10.54209 
1 1 1 -6  -14 45 o 148.834 4.0987  2698.41    148.017  2754.99    213.679  2646.22    205.230  150.066 5.8683  147.099 5.7500  2.967697       8.215848 
1 1 1 -6  -14 46 o 111.328 3.7050  1509.34    100.082  1518.36    144.361  1500.99    138.873  111.434 5.3391  110.823 5.1644  0.6114273      7.428146 
1 1 1 -6  -14 47 o 89.223  4.2430  971.143    91.857   1025.05    112.923  865.711    157.930  91.413  5.1116  83.325  7.9060  8.088654       9.414519 
1 1 1 -6  -14 48 o 18.908  6.3804  41.062     34.724   60.929     41.763   -3.4315    62.499   22.302  6.9598  18.217  7.8347  4.084850       10.47956 
1 1 1 -6  -14 49 o 52.191  6.1968  339.445    76.941   339.445    76.941   0.0000     0.0000   52.191  6.1968  ?       ?       0.000000       6.196786 
1 1 1 -6  -14 50 o 45.867  6.1786  263.275    67.012   263.275    67.012   0.0000     0.0000   45.867  6.1786  ?       ?       0.000000       6.178578 
1 1 1 -6  -14 51 o 80.366  4.8311  793.540    93.770   740.553    131.233  848.811    134.032  77.062  7.0983  82.649  6.7423  -5.587029      9.790013 
1 1 1 -6  -14 52 o 32.725  7.6859  138.339    59.989   165.285    101.128  123.709    74.515   35.774  10.768  31.102  9.2169  4.672390       14.17430 
1 1 1 -6  -14 53 o 89.461  4.3234  979.460    93.847   1042.31    160.944  947.082    115.519  91.278  7.3287  87.581  5.4632  3.696220       9.140906 
1 1 1 -6  -14 54 o 27.475  7.2133  97.441     48.700   89.540     97.613   100.060    56.193   28.860  10.611  27.893  7.9283  0.9666691      13.24600 
1 1 1 -6  -14 55 o 38.909  8.0127  196.755    73.128   127.716    158.217  215.511    82.466   34.890  13.363  40.588  8.6388  -5.698143      15.91179 
1 1 1 -6  -14 56 o 43.152  7.9743  241.441    80.418   200.447    203.599  249.018    87.536   40.680  15.254  43.645  8.5718  -2.964832      17.49754 
1 1 1 -6  -14 57 o 78.797  5.5363  772.387    105.179  0.0000     0.0000   772.387    105.179  ?       ?       78.797  5.5363  0.000000       5.536325 
1 1 1 -6  -14 58 o 43.299  6.1646  237.839    62.936   272.121    129.644  227.269    71.988   44.398  11.823  41.940  7.3415  2.457798       13.91735 
1 1 1 -6  -14 59 o 30.495  8.4542  122.387    64.731   128.186    123.914  120.211    75.912   32.841  11.974  30.387  9.3670  2.453533       15.20225 
1 1 1 -6  -14 60 o 40.488  6.4094  209.286    60.870   75.548     126.760  249.366    69.394   29.503  11.765  44.185  6.6812  -14.68274      13.52935 
1 1 1 -6  -14 61 o 58.361  5.7305  426.686    80.103   523.554    148.535  386.960    95.120   62.827  10.085  55.010  7.3072  7.817577       12.45369 
1 1 1 -6  -14 62 o 58.118  5.8545  424.116    81.435   361.061    152.123  449.444    96.414   50.798  12.441  59.506  6.7996  -8.708042      14.17792 
1 1 1 -6  -14 63 o 53.163  8.9506  372.812    111.357  383.690    196.836  367.692    135.045  50.935  14.949  51.761  11.087  -0.8265114     18.61140 
1 1 1 -6  -13 1  o 163.808 4.1702  3256.48    165.749  3292.62    235.096  3220.77    233.720  164.687 5.8833  162.880 5.9138  1.807541       8.341812 
1 1 1 -6  -13 2  o 231.410 5.1887  6500.09    291.343  6563.07    412.679  6437.52    411.366  232.471 7.3161  230.235 7.3637  2.235764       10.38021 
1 1 1 -6  -13 3  o 325.033 6.8048  12828.14   536.669  12877.91   759.850  12778.60   758.083  325.523 9.6201  324.265 9.6350  1.258484       13.61547 
1 1 1 -6  -13 4  f 377.741 8.9052  17336.38   816.208  17176.72   1001.23  17652.68   1409.26  375.854 10.979  380.631 15.259  -4.777344      18.79800 
1 1 1 -6  -13 5  o 154.935 4.0137  2913.15    150.888  2683.29    214.076  3140.07    212.708  148.671 5.9344  160.836 5.4505  -12.16527      8.057610 
1 1 1 -6  -13 6  f 388.508 7.8641  18332.76   741.336  18243.34   1049.07  18421.95   1047.74  387.335 11.162  389.232 11.094  -1.896973      15.73755 
1 1 1 -6  -13 7  o 337.358 6.9815  13819.98   571.486  13358.90   808.825  14279.64   807.583  331.523 10.055  342.779 9.7098  -11.25604      13.97784 
1 1 1 -6  -13 8  o 356.798 7.2939  15459.80   631.462  15216.45   893.761  15702.36   892.285  353.799 10.411  359.415 10.232  -5.616730      14.59721 
1 1 1 -6  -13 9  o 411.396 8.2719  20558.96   825.713  21138.52   1168.53  19980.96   1166.94  416.905 11.552  405.301 11.866  11.60324       16.56022 
1 1 1 -6  -13 10 o 410.929 8.2684  20512.28   824.427  20077.84   1166.62  20945.69   1165.22  406.286 11.834  414.997 11.572  -8.711273      16.55140 
1 1 1 -6  -13 11 o 356.361 10.325  15437.08   892.745  14522.32   1260.60  16357.47   1264.47  345.261 15.048  366.509 14.219  -21.24762      20.70268 
1 1 1 -6  -13 12 o 345.272 10.076  14489.95   844.161  13501.67   1201.19  15454.36   1186.59  332.924 14.870  356.293 13.726  -23.36884      20.23609 
1 1 1 -6  -13 13 o 380.191 10.819  17574.02   998.054  18355.89   1420.01  16810.70   1403.06  388.164 15.077  371.415 15.569  16.74814       21.67256 
1 1 1 -6  -13 14 o 173.822 5.9508  3667.97    250.982  3495.72    362.991  3825.74    347.407  169.393 8.8623  177.472 8.0676  -8.079193      11.98444 
1 1 1 -6  -13 15 o 381.038 7.7312  17633.97   714.793  17519.81   1015.30  17746.15   1006.49  379.587 11.024  382.044 10.858  -2.456879      15.47273 
1 1 1 -6  -13 16 o 327.773 6.8544  13045.42   545.138  11767.97   775.390  14293.95   766.568  311.142 10.271  342.979 9.2113  -31.83658      13.79612 
1 1 1 -6  -13 17 o 234.441 5.2277  6671.49    297.379  6087.83    424.974  7231.49    416.274  223.880 7.8232  244.031 7.0302  -20.15131      10.51791 
1 1 1 -6  -13 18 o 166.660 4.1526  3370.86    167.923  3216.65    241.962  3514.16    233.238  162.772 6.1264  170.142 5.6497  -7.370087      8.333740 
1 1 1 -6  -13 19 o 348.976 7.1858  14789.86   608.459  14542.48   865.926  15031.13   855.158  345.859 10.319  351.643 10.023  -5.783478      14.38487 
1 1 1 -6  -13 20 o 304.987 6.3813  11294.21   472.233  11495.51   673.518  11099.57   662.301  307.565 9.0250  302.221 9.0316  5.343536       12.76798 
1 1 1 -6  -13 21 f 534.261 10.599  34712.61   1374.00  34043.23   1949.31  35373.56   1936.99  528.413 15.203  538.705 14.819  -10.29211      21.23072 
1 1 1 -6  -13 22 o 318.754 6.6960  12339.42   517.884  11954.98   738.720  12710.98   726.238  313.571 9.7091  323.366 9.2559  -9.794586      13.41414 
1 1 1 -6  -13 23 o 817.623 14.241  81518.69   2825.17  81932.97   3649.56  80899.20   4462.81  818.311 18.381  811.347 22.669  6.964233       29.18458 
1 1 1 -6  -13 24 o 699.643 13.605  59698.16   2309.53  60269.77   3269.10  59128.61   3263.24  701.164 19.215  694.438 19.367  6.726563       27.28160 
1 1 1 -6  -13 25 o 445.324 8.9692  24124.23   969.158  24443.27   1373.49  23807.87   1367.72  447.666 12.645  441.788 12.759  5.878204       17.96335 
1 1 1 -6  -13 26 o 276.428 5.9049  9283.37    396.056  9364.33    562.846  9203.96    557.408  277.435 8.3611  275.050 8.3521  2.385101       11.81804 
1 1 1 -6  -13 27 o 261.391 5.6915  8302.18    360.977  8206.00    513.199  8396.37    507.840  259.660 8.1455  262.673 7.9680  -3.012634      11.39462 
1 1 1 -6  -13 28 o 179.926 6.0232  3935.62    262.955  3504.51    363.030  4411.46    381.397  169.353 8.8654  190.320 8.2590  -20.96675      12.11639 
1 1 1 -6  -13 29 o 224.702 7.2009  6146.14    392.605  6708.92    545.493  5541.30    565.504  234.461 9.5886  212.608 11.000  21.85347       14.59227 
1 1 1 -6  -13 30 o 50.753  4.8748  315.894    59.293   319.372    77.568   311.007    91.964   50.833  6.4329  49.928  7.8504  0.9052696      10.14945 
1 1 1 -6  -13 31 o 77.849  4.6031  738.937    86.564   707.379    114.987  780.213    131.508  75.994  6.2926  79.769  6.8612  -3.774910      9.309886 
1 1 1 -6  -13 32 o 148.247 4.0102  2669.26    144.249  2653.43    206.216  2684.43    201.851  147.719 5.7534  148.589 5.5986  -0.8694611     8.027823 
1 1 1 -6  -13 33 o 128.857 3.7519  2016.39    117.307  2063.20    168.001  1971.86    163.870  130.280 5.3146  127.364 5.3026  2.915886       7.507501 
1 1 1 -6  -13 34 f 291.472 6.3587  10336.14   449.706  10568.21   639.942  10109.72   632.090  294.315 8.9612  287.844 9.0502  6.471130       12.73610 
1 1 1 -6  -13 35 o 296.673 8.8423  10738.06   636.510  9145.23    1090.71  11560.67   783.824  271.385 16.644  307.473 10.506  -36.08810      19.68263 
1 1 1 -6  -13 36 f 173.337 4.3130  3650.23    181.398  3516.64    259.394  3778.08    253.769  170.003 6.2884  176.238 5.9344  -6.234482      8.646429 
1 1 1 -6  -13 37 o 211.590 6.9886  5452.43    358.795  6039.04    535.358  4974.09    483.431  222.249 9.9275  201.711 9.8774  20.53787       14.00422 
1 1 1 -6  -13 38 o 198.817 6.9063  4814.99    333.167  4792.34    500.168  4833.05    446.693  197.562 10.471  198.870 9.2571  -1.307602      13.97651 
1 1 1 -6  -13 39 o 238.760 7.7865  6955.45    451.093  6963.89    668.407  6948.40    611.295  238.091 11.570  238.068 10.582  0.2301025E-01  15.67974 
1 1 1 -6  -13 40 o 138.419 3.9824  2328.44    133.755  2372.85    192.665  2287.12    185.837  139.610 5.6875  137.073 5.5875  2.537125       7.972921 
1 1 1 -6  -13 41 o 184.935 4.4949  4159.89    201.697  4250.95    289.646  4074.15    281.035  186.704 6.3937  182.789 6.3365  3.915375       9.001648 
1 1 1 -6  -13 42 o 131.844 3.9906  2113.99    127.663  2270.37    183.912  1968.57    177.351  136.480 5.5536  127.064 5.7524  9.415787       7.995770 
1 1 1 -6  -13 43 o 119.264 3.8322  1730.20    110.898  1718.40    159.633  1741.21    154.176  118.685 5.5432  119.497 5.3174  -0.8115921     7.681266 
1 1 1 -6  -13 44 o 121.919 3.8221  1808.89    113.067  1742.40    162.789  1870.87    157.161  119.444 5.6169  123.823 5.2309  -4.379349      7.675442 
1 1 1 -6  -13 45 o 70.462  3.6110  605.844    61.529   602.962    88.847   608.501    85.293   70.067  5.2645  70.428  5.0241  -0.3612900     7.277113 
1 1 1 -6  -13 46 o 34.910  4.5358  151.157    37.514   176.046    51.709   123.502    54.506   37.476  5.8802  31.063  7.3468  6.412600       9.410233 
1 1 1 -6  -13 47 o 65.918  4.2502  532.253    67.617   537.809    82.057   520.498    119.350  66.115  5.1558  64.460  7.7887  1.654915       9.340610 
1 1 1 -6  -13 48 o 73.203  5.1702  659.084    91.242   659.084    91.242   0.0000     0.0000   73.203  5.1702  ?       ?       0.000000       5.170158 
1 1 1 -6  -13 49 o 28.118  7.3867  101.290    51.050   101.290    51.050   0.0000     0.0000   28.118  7.3867  ?       ?       0.000000       7.386736 
1 1 1 -6  -13 50 o 78.174  4.7717  750.349    90.077   836.193    115.656  617.990    143.612  82.308  5.8288  69.928  8.6483  12.37985       10.42921 
1 1 1 -6  -13 51 o 55.107  4.6903  374.237    62.119   399.739    80.107   335.772    98.383   56.719  5.9075  51.354  8.1691  5.364262       10.08127 
1 1 1 -6  -13 52 o 93.514  3.8414  1067.64    87.163   1079.43    125.015  1056.48    121.590  93.558  5.5316  92.581  5.4365  0.9771881      7.755943 
1 1 1 -6  -13 53 o 91.720  3.8035  1027.59    84.647   990.329    120.894  1063.42    118.559  89.523  5.5936  92.869  5.2833  -3.346115      7.694199 
1 1 1 -6  -13 54 o 55.879  6.7047  392.814    89.090   230.958    179.703  445.559    102.585  42.239  14.512  59.382  7.2716  -17.14363      16.23182 
1 1 1 -6  -13 55 o 61.152  6.6854  470.379    97.583   834.088    215.266  376.309    109.477  79.317  11.522  53.958  8.6544  25.35925       14.41041 
1 1 1 -6  -13 56 o 64.546  5.7524  519.729    89.147   0.0000     0.0000   519.729    89.147   ?       ?       64.546  5.7524  0.000000       5.752366 
1 1 1 -6  -13 57 o 44.361  7.1508  252.533    74.354   0.0000     0.0000   252.533    74.354   ?       ?       44.361  7.1508  0.000000       7.150817 
1 1 1 -6  -13 58 o 43.389  6.1111  238.612    62.555   148.948    126.743  267.488    71.926   34.512  12.167  45.810  6.6664  -11.29851      13.87346 
1 1 1 -6  -13 59 o 56.473  5.3472  398.096    72.397   417.501    144.110  391.546    83.730   55.490  11.091  55.700  6.3065  -0.2092018     12.75858 
1 1 1 -6  -13 60 o 35.344  8.0751  164.333    67.736   313.161    128.757  107.381    79.649   47.850  11.275  29.212  9.6597  18.63874       14.84690 
1 1 1 -6  -13 61 o 55.899  5.9901  392.799    79.980   553.610    146.653  324.721    95.419   64.902  9.6024  50.018  8.1423  14.88341       12.58981 
1 1 1 -6  -13 62 f 32.061  8.6536  136.151    68.884   3.6060     131.255  186.534    80.924   25.919  11.250  37.393  9.0227  -11.47385      14.42110 
1 1 1 -6  -13 63 o 48.817  9.4711  318.627    108.138  347.213    191.667  305.279    130.974  48.549  14.870  46.826  11.590  1.723598       18.85357 
1 1 1 -6  -12 1  o 518.783 10.243  32714.47   1289.41  32646.93   1824.18  32781.90   1822.82  517.745 14.521  518.820 14.480  -1.074768      20.50651 
1 1 1 -6  -12 2  o 746.496 14.554  67867.60   2636.20  67683.25   3729.20  68051.75   3727.09  744.032 20.657  746.074 20.588  -2.041687      29.16475 
1 1 1 -6  -12 3  o 468.454 9.3334  26665.77   1060.89  26824.53   1501.28  26507.42   1499.38  469.478 13.179  466.687 13.241  2.790131       18.68179 
1 1 1 -6  -12 4  o 128.728 3.6204  2010.86    113.081  1884.24    160.566  2135.47    159.284  124.592 5.3113  132.643 4.9491  -8.050735      7.259706 
1 1 1 -6  -12 5  o 583.710 11.448  41434.75   1621.39  40538.29   2293.75  42330.02   2292.23  576.640 16.394  589.308 16.031  -12.66833      22.92893 
1 1 1 -6  -12 6  o 300.883 6.3163  10991.24   461.133  10825.42   652.802  11156.39   651.482  298.492 9.0133  303.029 8.8604  -4.536163      12.63910 
1 1 1 -6  -12 7  o 468.369 9.3207  26656.38   1059.26  26451.67   1498.80  26860.68   1497.23  466.189 13.250  469.793 13.135  -3.603455      18.65695 
1 1 1 -6  -12 8  f 318.406 6.6045  12309.60   510.250  12563.20   722.311  12057.01   720.894  321.545 9.2580  314.991 9.4321  6.553772       13.21650 
1 1 1 -6  -12 9  o 47.756  3.0038  277.829    34.630   266.053    49.203   289.387    48.748   46.614  4.4024  48.653  4.1696  -2.039661      6.063530 
1 1 1 -6  -12 10 o 319.720 6.5966  12411.33   511.743  12573.57   727.313  12252.27   720.167  321.675 9.3184  317.537 9.3471  4.138062       13.19848 
1 1 1 -6  -12 11 o 457.169 12.882  25433.43   1428.95  25386.12   2028.93  25480.01   2012.85  456.036 18.336  456.906 18.156  -0.8697815     25.80400 
1 1 1 -6  -12 12 o 302.208 8.9557  11096.35   656.702  10752.35   937.188  11428.18   920.470  297.247 12.994  306.489 12.377  -9.242767      17.94567 
1 1 1 -6  -12 13 o 560.063 15.449  38219.64   2099.38  40470.21   2978.41  35997.38   2959.62  575.190 21.341  542.227 22.495  32.96307       31.00748 
1 1 1 -6  -12 14 o 118.073 4.8270  1692.08    138.290  1940.11    203.401  1478.87    188.582  126.231 6.6644  110.129 7.0950  16.10238       9.734152 
1 1 1 -6  -12 15 o 479.115 13.401  27939.84   1557.91  28788.81   2213.95  27107.13   2192.64  485.580 18.791  471.121 19.181  14.45862       26.85147 
1 1 1 -6  -12 16 o 740.751 14.388  66820.20   2586.12  67495.20   3662.10  66148.70   3652.56  743.103 20.310  735.612 20.464  7.491211       28.83183 
1 1 1 -6  -12 17 o 521.893 10.318  33108.57   1306.58  33056.89   1852.86  33159.70   1842.75  520.970 14.658  521.794 14.555  -0.8237305     20.65645 
1 1 1 -6  -12 18 o 110.658 3.4900  1485.94    93.708   1262.53    136.409  1685.59    128.953  101.833 5.5415  117.849 4.5096  -16.01640      7.144577 
1 1 1 -6  -12 19 o 299.200 6.2808  10868.84   455.976  11260.92   650.417  10489.91   639.419  304.439 8.8050  293.824 8.9688  10.61508       12.56846 
1 1 1 -6  -12 20 o 175.936 4.2043  3756.61    179.477  3504.14    255.418  4002.86    252.249  169.887 6.1962  181.585 5.7252  -11.69757      8.436268 
1 1 1 -6  -12 21 o 819.474 16.026  81903.51   3186.54  81317.81   4509.00  82487.88   4503.90  814.333 22.820  820.243 22.630  -5.910217      32.13813 
1 1 1 -6  -12 22 o 498.236 9.7996  30180.32   1184.70  29315.91   1677.91  31039.61   1672.93  490.494 14.098  504.776 13.659  -14.28165      19.62988 
1 1 1 -6  -12 23 o 357.530 7.3558  15528.38   638.128  15168.53   904.743  15884.60   900.174  353.119 10.559  361.384 10.266  -8.265442      14.72713 
1 1 1 -6  -12 24 o 305.287 6.5347  11320.25   484.056  11217.34   686.880  11421.78   682.260  303.714 9.3208  306.481 9.1745  -2.766449      13.07854 
1 1 1 -6  -12 25 o 414.894 8.3710  20930.47   842.712  21281.16   1194.51  20582.98   1189.06  417.898 11.780  410.964 11.924  6.934601       16.76203 
1 1 1 -6  -12 26 o 72.055  3.3397  630.149    58.390   682.606    83.392   579.697    81.783   74.837  4.6149  68.917  4.9231  5.919731       6.747947 
1 1 1 -6  -12 27 o 246.582 5.3912  7386.59    322.563  7495.84    458.861  7279.86    453.531  248.232 7.6183  244.627 7.6408  3.604263       10.78983 
1 1 1 -6  -12 28 o 110.741 3.5554  1488.87    95.536   1500.36    136.582  1477.87    133.680  111.128 5.0653  110.294 4.9952  0.8338852      7.114030 
1 1 1 -6  -12 29 o 163.089 5.8092  3233.78    229.883  3368.78    315.549  3081.11    335.584  166.314 7.8194  158.740 8.7464  7.573898       11.73214 
1 1 1 -6  -12 30 o 225.416 7.1288  6186.15    389.912  6137.96    540.690  6238.36    562.813  224.167 9.9406  225.942 10.266  -1.775131      14.29010 
1 1 1 -6  -12 31 o 384.440 11.178  18086.84   1042.65  18786.22   1462.55  17364.05   1486.81  390.271 15.445  374.839 16.347  15.43207       22.48948 
1 1 1 -6  -12 32 o 185.435 4.4882  4177.53    201.942  4145.04    288.130  4208.89    283.113  184.579 6.4335  186.008 6.2728  -1.429123      8.985429 
1 1 1 -6  -12 33 o 276.772 5.9375  9315.90    398.738  9432.06    567.465  9202.62    560.403  278.155 8.4079  274.752 8.4061  3.403595       11.88931 
1 1 1 -6  -12 34 o 90.383  3.4617  991.901    75.917   1051.33    109.970  937.787    104.933  92.884  4.8967  87.706  4.9511  5.178436       6.963540 
1 1 1 -6  -12 35 o 326.956 6.8500  13012.43   543.427  12984.76   772.613  13039.53   764.495  326.049 9.7660  326.764 9.6422  -0.7146606     13.72394 
1 1 1 -6  -12 36 o 168.830 4.2260  3462.65    173.119  3428.54    247.912  3495.11    241.854  167.878 6.0861  169.515 5.8800  -1.637177      8.462603 
1 1 1 -6  -12 37 o 142.370 5.7706  2465.48    199.344  2765.98    308.489  2250.05    261.204  150.334 8.4918  135.617 7.9729  14.71698       11.64808 
1 1 1 -6  -12 38 o 200.901 7.1490  4917.83    348.490  4288.94    523.311  5418.96    467.139  186.610 11.615  210.600 9.1416  -23.99062      14.78098 
1 1 1 -6  -12 39 o 92.092  5.3733  1035.21    119.547  1081.20    196.275  1008.09    150.732  93.669  8.7367  90.693  6.9015  2.975906       11.13377 
1 1 1 -6  -12 40 o 137.145 4.4285  2286.73    147.366  2495.39    243.280  2165.78    185.214  143.038 7.0095  133.375 5.7232  9.663696       9.049210 
1 1 1 -6  -12 41 o 50.079  3.8530  306.636    46.459   310.125    66.405   303.290    65.023   50.157  5.5494  49.603  5.4948  0.5546761      7.809545 
1 1 1 -6  -12 42 o 159.608 4.2958  3099.36    166.366  3110.58    239.455  3088.89    231.310  159.655 6.1813  159.125 5.9909  0.5294342      8.608087 
1 1 1 -6  -12 43 o 41.217  4.1363  208.808    40.809   238.987    58.630   180.446    56.838   43.903  5.6338  37.914  6.4067  5.988449       8.531447 
1 1 1 -6  -12 44 o 65.028  3.5791  515.978    56.256   434.210    81.033   592.051    78.160   59.351  5.6969  69.541  4.6590  -10.19023      7.359413 
1 1 1 -6  -12 45 o 93.124  3.6681  1055.61    82.884   1082.45    117.415  1028.95    117.019  94.007  5.1673  91.627  5.2858  2.379875       7.391976 
1 1 1 -6  -12 46 o 46.290  4.1110  263.217    45.693   294.331    61.540   224.989    68.213   48.786  5.2831  42.260  6.8898  6.525967       8.682186 
1 1 1 -6  -12 47 o 28.608  5.8467  103.925    39.215   118.121    47.434   73.274     69.701   30.424  6.6142  25.705  9.0261  4.718645       11.19003 
1 1 1 -6  -12 48 o 73.933  5.2412  672.482    93.415   672.482    93.415   0.0000     0.0000   73.933  5.2412  ?       ?       0.000000       5.241248 
1 1 1 -6  -12 49 o 41.701  5.4079  216.581    53.431   199.907    66.432   247.126    89.916   39.658  7.1675  43.820  8.7630  -4.161270      11.32086 
1 1 1 -6  -12 50 o 15.092  6.1632  10.449     35.726   12.495     42.690   5.6667     65.265   16.476  6.7338  19.249  8.1320  -2.773191      10.55807 
1 1 1 -6  -12 51 f 122.205 4.2669  1824.85    126.520  1793.86    204.214  1844.16    161.180  120.234 7.0306  122.581 5.4191  -2.346764      8.876665 
1 1 1 -6  -12 52 o 37.224  4.8913  172.666    43.109   107.584    60.059   241.832    61.915   28.963  8.1841  43.928  5.9629  -14.96550      10.12596 
1 1 1 -6  -12 53 o 96.085  3.8354  1127.95    89.418   1077.15    127.956  1176.44    125.008  93.345  5.6764  97.683  5.2939  -4.337936      7.761937 
1 1 1 -6  -12 54 o 23.599  8.4125  61.422     60.754   -102.6954  138.727  100.367    67.579   22.697  10.531  28.229  8.8605  -5.532290      13.76260 
1 1 1 -6  -12 55 o 65.264  6.5710  534.592    102.642  612.820    220.850  513.039    115.923  66.345  14.151  63.541  7.6743  2.803612       16.09790 
1 1 1 -6  -12 56 o 39.781  7.3431  204.211    68.269   0.0000     0.0000   204.211    68.269   ?       ?       39.781  7.3431  0.000000       7.343093 
1 1 1 -6  -12 57 o 80.268  3.8840  789.658    75.647   741.395    105.536  840.657    108.486  77.140  5.6783  82.243  5.4676  -5.102936      7.882756 
1 1 1 -6  -12 58 o 53.559  5.4510  358.678    69.852   274.750    139.133  386.961    80.769   44.483  12.417  55.449  6.1044  -10.96585      13.83620 
1 1 1 -6  -12 59 o 35.634  7.0684  164.548    58.957   29.426     130.313  199.325    66.110   27.197  11.490  39.266  7.2044  -12.06891      13.56200 
1 1 1 -6  -12 60 o 50.756  6.5460  326.609    78.738   209.524    142.941  377.612    94.341   39.441  12.936  54.348  7.3420  -14.90698      14.87406 
1 1 1 -6  -12 61 o 44.889  7.1335  258.762    75.097   104.805    138.399  323.007    89.404   32.060  12.439  50.092  7.5938  -18.03236      14.57382 
1 1 1 -6  -12 62 o 41.997  10.298  239.348    104.141  159.846    184.045  276.793    126.307  37.248  14.374  44.748  11.553  -7.499458      18.44192 
1 1 1 -6  -12 63 o 34.834  10.664  163.714    98.582   321.438    178.348  94.323     118.297  46.924  14.340  29.961  11.535  16.96309       18.40335 
1 1 1 -6  -11 1  o 413.547 11.815  20800.28   1185.59  21143.19   1685.81  20464.69   1667.71  416.426 16.684  409.678 16.777  6.747559       23.66072 
1 1 1 -6  -11 2  o 661.884 18.275  53467.79   2934.92  55600.22   4159.65  51353.82   4141.62  673.067 25.470  646.578 26.399  26.48889       36.68296 
1 1 1 -6  -11 3  o 945.464 18.362  109107.70  4212.32  107405.90  5958.24  110808.20  5956.01  935.114 26.260  949.995 25.839  -14.88074      36.84031 
1 1 1 -6  -11 4  o 722.347 14.023  63528.88   2457.89  64053.84   3476.85  63004.44   3475.12  724.052 19.790  718.056 19.946  5.995544       28.09775 
1 1 1 -6  -11 5  o 209.543 4.7806  5329.20    243.066  5384.11    344.414  5274.71    343.084  210.577 6.7407  208.425 6.7840  2.151459       9.563476 
1 1 1 -6  -11 6  o 291.280 6.1467  10300.44   434.429  10157.69   615.168  10442.46   613.585  289.151 8.7681  293.182 8.6253  -4.031799      12.29939 
1 1 1 -6  -11 7  o 192.001 4.4946  4474.08    209.391  4591.14    296.770  4358.03    295.480  194.462 6.2896  189.458 6.4276  5.004074       8.992959 
1 1 1 -6  -11 8  o 28.492  3.2941  99.823     22.353   88.685     31.745   110.775    31.481   26.584  5.1070  29.881  4.4800  -3.297249      6.793545 
1 1 1 -6  -11 9  f 39.043  2.9629  186.033    27.859   76.840     41.166   278.305    37.842   24.750  6.6936  47.778  3.2842  -23.02751      7.455861 
1 1 1 -6  -11 10 o 187.308 4.3639  4257.92    198.333  4578.20    283.963  3952.86    277.133  194.194 6.0265  180.438 6.3299  13.75549       8.739896 
1 1 1 -6  -11 11 o 289.899 6.0912  10202.88   428.463  10331.67   609.755  10077.26   602.192  291.624 8.6173  288.011 8.6171  3.612854       12.18655 
1 1 1 -6  -11 12 o 193.417 6.4318  4542.03    301.852  4086.82    435.590  4962.58    418.678  183.113 9.8399  202.115 8.5372  -19.00197      13.02718 
1 1 1 -6  -11 13 o 701.859 19.163  60159.85   3263.45  64404.50   4625.68  55953.40   4604.81  724.081 26.328  674.309 28.144  49.77173       38.53931 
1 1 1 -6  -11 14 f 954.067 26.389  111813.10  6108.83  110291.50  8650.41  113327.00  8628.03  941.408 37.870  954.666 37.247  -13.25806      53.11779 
1 1 1 -6  -11 15 o 640.969 17.557  50118.25   2730.50  53195.93   3873.78  47079.27   3849.35  658.723 24.236  619.319 25.616  39.40405       35.26433 
1 1 1 -6  -11 16 o 418.711 8.3963  21296.55   853.030  21809.63   1211.46  20792.01   1201.34  423.466 11.790  413.452 11.975  10.01349       16.80514 
1 1 1 -6  -11 17 o 485.183 9.6017  28606.41   1130.37  29308.74   1600.58  27907.58   1596.58  490.715 13.443  478.806 13.743  11.90829       19.22403 
1 1 1 -6  -11 18 o 863.038 16.724  90821.55   3502.09  90385.55   4954.81  91256.81   4950.60  858.755 23.779  862.934 23.644  -4.178650      33.53306 
1 1 1 -6  -11 19 o 760.528 14.769  70455.05   2725.33  69133.01   3856.34  71774.15   3852.06  751.777 21.141  766.126 20.722  -14.34894      29.60287 
1 1 1 -6  -11 20 o 187.465 4.4353  4265.17    201.746  3891.00    286.723  4632.06    283.923  179.012 6.6011  195.331 5.9905  -16.31865      8.914072 
1 1 1 -6  -11 21 o 509.916 10.152  31610.17   1256.07  30577.32   1778.52  32638.01   1774.20  500.961 14.632  517.641 14.126  -16.68039      20.33762 
1 1 1 -6  -11 22 o 234.694 5.3766  6686.60    306.177  6803.06    434.846  6572.10    431.176  236.657 7.5727  232.603 7.6397  4.054321       10.75691 
1 1 1 -6  -11 23 o 212.226 4.7660  5467.17    245.424  5611.07    349.078  5326.52    345.121  214.946 6.6931  209.421 6.7918  5.524216       9.535554 
1 1 1 -6  -11 24 o 81.937  3.2453  814.732    64.521   742.790    91.697   885.274    90.802   78.071  4.8648  85.287  4.4028  -7.215683      6.561326 
1 1 1 -6  -11 25 o 549.502 10.746  36763.40   1432.81  36860.36   2029.21  36667.00   2023.39  549.244 15.226  547.803 15.223  1.441528       21.53075 
1 1 1 -6  -11 26 o 399.512 8.2090  19412.96   795.768  19582.68   1128.34  19245.00   1122.45  400.750 11.604  397.272 11.644  3.477264       16.43902 
1 1 1 -6  -11 27 o 323.847 6.7272  12750.01   528.617  13069.34   750.501  12435.60   744.688  327.551 9.4430  319.488 9.6063  8.062836       13.47037 
1 1 1 -6  -11 28 o 145.926 3.9041  2585.57    138.236  2606.11    197.473  2565.84    193.574  146.441 5.5575  145.309 5.4903  1.132858       7.812099 
1 1 1 -6  -11 29 o 57.210  4.9361  400.640    67.851   403.966    88.425   395.878    105.808  57.266  6.4777  56.465  7.9424  0.8008156      10.24902 
1 1 1 -6  -11 30 o 316.186 9.5145  12203.62   729.946  13358.39   1020.70  10994.84   1044.30  330.005 12.747  298.940 14.397  31.06506       19.22942 
1 1 1 -6  -11 31 o 243.257 7.6469  7207.90    451.354  7623.41    626.737  6760.21    650.550  249.756 10.342  235.005 11.409  14.75085       15.39864 
1 1 1 -6  -11 32 o 279.923 6.0762  9530.08    412.698  9692.17    587.205  9371.87    580.145  281.944 8.5835  277.240 8.6242  4.704529       12.16767 
1 1 1 -6  -11 33 o 104.845 3.4774  1334.70    88.464   1271.88    127.301  1393.38    123.022  102.169 5.1517  107.087 4.7346  -4.918831      6.996867 
1 1 1 -6  -11 34 o 254.749 5.5510  7889.96    343.121  7895.72    488.921  7884.37    481.655  254.565 7.9155  254.397 7.8030  0.1677856      11.11489 
1 1 1 -6  -11 35 o 473.831 9.5359  27412.87   1096.35  27418.01   1554.84  27407.79   1546.15  472.338 13.567  472.283 13.492  0.5496216E-01  19.13351 
1 1 1 -6  -11 36 o 305.065 6.4351  11325.00   476.333  11112.65   677.695  11532.34   669.649  301.703 9.2574  307.405 8.9779  -5.701477      12.89582 
1 1 1 -6  -11 37 o 278.442 8.6319  9460.65    583.187  9674.71    854.559  9274.06    797.858  280.673 12.548  274.953 11.959  5.720123       17.33428 
1 1 1 -6  -11 38 o 133.129 5.6318  2156.00    181.922  2641.47    288.155  1834.27    234.583  146.925 8.1144  122.379 7.9429  24.54556       11.35485 
1 1 1 -6  -11 39 o 104.043 5.5099  1320.72    138.601  1277.83    227.105  1346.18    174.962  101.798 9.2970  104.875 6.9144  -3.076378      11.58628 
1 1 1 -6  -11 40 o 247.573 5.5556  7461.25    333.732  7471.37    476.594  7451.51    467.474  247.305 7.9424  247.007 7.7998  0.2985687      11.13189 
1 1 1 -6  -11 41 o 29.416  5.2374  108.499    36.011   87.737     49.632   131.581    52.331   26.438  7.4290  32.225  6.9008  -5.786800      10.13957 
1 1 1 -6  -11 42 o 104.709 3.6514  1332.94    92.771   1295.22    133.554  1368.10    128.962  102.954 5.3648  105.983 5.0149  -3.028664      7.343726 
1 1 1 -6  -11 43 o 44.367  4.1778  241.695    44.445   252.555    59.475   227.961    66.886   45.163  5.5438  42.671  6.6791  2.492062       8.680057 
1 1 1 -6  -11 44 o 106.944 3.7618  1391.86    97.615   1351.15    137.582  1433.13    138.521  105.057 5.4157  108.357 5.2686  -3.299850      7.555618 
1 1 1 -6  -11 45 o 51.514  4.0624  325.273    50.366   258.123    67.433   409.999    75.746   45.485  6.2773  57.661  5.4798  -12.17615      8.332648 
1 1 1 -6  -11 46 o 82.711  3.5942  833.015    72.132   867.505    104.167  801.241    99.981   84.094  5.1296  80.807  5.1258  3.286934       7.251635 
1 1 1 -6  -11 47 o 89.839  5.4085  991.582    117.348  991.582    117.348  0.0000     0.0000   89.839  5.4085  ?       ?       0.000000       5.408505 
1 1 1 -6  -11 48 o 86.930  5.3884  929.128    113.098  929.128    113.098  0.0000     0.0000   86.930  5.3884  ?       ?       0.000000       5.388446 
1 1 1 -6  -11 49 o 119.797 5.2622  1757.95    152.960  1916.54    201.567  1542.63    234.869  124.544 6.6946  110.953 8.7962  13.59125       11.05404 
1 1 1 -6  -11 50 o 71.049  4.6925  620.045    80.440   572.943    102.276  696.436    130.250  67.951  6.2740  74.704  7.2782  -6.752716      9.609115 
1 1 1 -6  -11 51 o 56.252  3.9757  388.205    53.915   460.488    77.493   320.390    75.060   61.049  5.2836  50.633  6.2417  10.41550       8.177686 
1 1 1 -6  -11 52 o 98.945  3.8409  1195.42    92.214   1138.85    132.386  1248.73    128.519  96.042  5.7065  100.708 5.2778  -4.665787      7.773023 
1 1 1 -6  -11 53 o 50.440  4.2650  313.547    51.709   299.652    71.482   328.799    74.892   48.885  6.1634  51.245  6.1457  -2.360126      8.703830 
1 1 1 -6  -11 54 o 62.413  6.6106  488.640    98.586   631.971    212.925  449.528    111.227  68.074  13.368  59.415  7.9120  8.659019       15.53392 
1 1 1 -6  -11 55 o 28.218  9.2478  98.810     73.060   0.0000     0.0000   98.810     73.060   ?       ?       28.218  9.2478  0.000000       9.247803 
1 1 1 -6  -11 56 o 45.755  4.4152  259.440    48.409   252.584    65.737   267.564    71.554   44.679  6.2335  45.894  6.6168  -1.214268      9.090591 
1 1 1 -6  -11 57 o 31.720  5.3879  127.713    39.985   79.197     51.669   200.140    63.131   25.006  7.7312  39.481  6.8377  -14.47466      10.32111 
1 1 1 -6  -11 58 o 54.087  4.0819  360.983    53.175   406.888    73.166   309.591    77.415   57.114  5.3416  49.368  6.6303  7.746037       8.514349 
1 1 1 -6  -11 59 o 20.258  6.1110  51.594     32.542   64.201     39.550   25.169     57.261   22.495  6.7259  19.572  7.8712  2.923208       10.35346 
1 1 1 -6  -11 60 o 12.132  5.9304  -106.6311  57.893   -188.5695  111.320  -76.2538   67.781   17.023  8.3002  14.859  7.0398  2.164016       10.88352 
1 1 1 -6  -11 61 f 37.543  8.1300  185.220    71.915   212.268    136.347  174.795    84.647   39.525  12.607  36.155  9.5183  3.369694       15.79673 
1 1 1 -6  -11 62 o 34.069  10.662  154.231    97.939   84.836     174.308  186.246    118.394  32.887  13.543  37.123  11.738  -4.235531      17.92175 
1 1 1 -6  -10 1  o 340.693 9.8893  14106.42   817.509  15238.16   1165.06  13008.72   1147.41  353.825 13.570  326.846 14.468  26.97943       19.83641 
1 1 1 -6  -10 2  o 548.487 15.392  36652.98   2048.49  35768.71   2905.26  37527.26   2888.80  540.606 22.148  553.876 21.495  -13.27032      30.86404 
1 1 1 -6  -10 3  o 273.113 8.2539  9060.57    546.972  9500.20    780.115  8635.46    767.118  279.498 11.503  266.454 11.865  13.04425       16.52591 
1 1 1 -6  -10 4  o 536.006 10.543  34926.57   1371.24  34589.14   1940.21  35263.32   1938.25  532.855 15.006  538.047 14.847  -5.191284      21.10954 
1 1 1 -6  -10 5  o 273.342 5.8122  9070.22    385.488  9200.61    546.018  8940.64    544.312  275.215 8.1765  271.296 8.2688  3.919739       11.62878 
1 1 1 -6  -10 6  o 463.996 9.2231  26160.93   1038.38  25858.55   1469.25  26462.68   1467.74  460.930 13.137  466.302 12.972  -5.371918      18.46243 
1 1 1 -6  -10 7  o 339.210 6.8788  13971.92   566.171  15539.18   804.194  12431.69   797.224  357.599 9.2683  319.792 10.274  37.80725       13.83693 
1 1 1 -6  -10 8  o 184.298 4.3111  4122.18    192.787  4579.67    237.678  3242.26    329.622  194.243 5.0429  163.157 8.3542  31.08675       9.758264 
1 1 1 -6  -10 9  o 355.147 7.2081  15316.98   621.145  15992.85   882.224  14652.62   874.686  362.733 10.024  347.177 10.383  15.55521       14.43220 
1 1 1 -6  -10 10 o 465.841 9.2726  26369.74   1048.10  26127.34   1486.09  26609.64   1478.42  463.311 13.219  467.590 13.031  -4.278290      18.56203 
1 1 1 -6  -10 11 o 267.515 5.7342  8687.49    372.207  8492.20    530.076  8877.43    522.761  264.405 8.2624  270.347 7.9692  -5.942444      11.47935 
1 1 1 -6  -10 12 o 521.639 14.475  33138.52   1832.09  34652.67   2601.76  31649.24   2580.30  532.474 20.137  508.731 20.903  23.74329       29.02538 
1 1 1 -6  -10 13 o 273.309 8.1226  9073.18    538.655  9983.30    773.025  8214.17    751.000  286.540 11.118  259.871 11.910  26.66846       16.29332 
1 1 1 -6  -10 14 o 573.203 16.130  40046.78   2243.35  38110.06   3185.12  41953.26   3160.17  557.713 23.537  585.466 22.246  -27.75256      32.38608 
1 1 1 -6  -10 15 o 339.328 9.7295  13992.68   801.080  15247.94   1145.77  12792.29   1120.45  353.960 13.341  324.135 14.246  29.82434       19.51747 
1 1 1 -6  -10 16 o 400.304 8.0022  19462.78   777.259  19705.82   1100.81  19221.14   1097.62  402.573 11.269  397.582 11.378  4.990265       16.01427 
1 1 1 -6  -10 17 o 470.842 9.3762  26937.60   1071.18  27361.76   1516.68  26515.44   1513.10  474.176 13.182  466.766 13.360  7.410248       18.76856 
1 1 1 -6  -10 18 o 515.694 10.067  32322.13   1259.62  33192.46   1783.26  31455.48   1779.49  522.142 14.075  508.251 14.430  13.89108       20.15763 
1 1 1 -6  -10 19 o 343.172 6.9670  14300.12   580.128  15006.16   822.294  13600.45   818.569  351.401 9.6441  334.511 10.085  16.88968       13.95414 
1 1 1 -6  -10 20 o 345.837 7.0431  14523.77   591.014  14596.13   837.775  14452.08   833.879  346.537 9.9635  344.823 9.9665  1.714355       14.09267 
1 1 1 -6  -10 21 o 304.496 6.5468  11258.01   483.701  11440.89   686.154  11077.36   681.979  306.833 9.2163  301.914 9.3094  4.919312       13.09982 
1 1 1 -6  -10 22 o 364.751 7.4737  16159.67   661.446  16144.30   937.807  16174.88   933.061  364.362 10.608  364.712 10.544  -0.3500366     14.95632 
1 1 1 -6  -10 23 o 407.751 8.2656  20202.25   817.773  20622.48   1158.87  19785.44   1154.16  411.659 11.602  403.197 11.797  8.461792       16.54640 
1 1 1 -6  -10 24 o 221.110 5.1594  5935.39    276.805  6045.55    393.619  5827.61    389.338  223.077 7.2720  219.017 7.3263  4.060089       10.32265 
1 1 1 -6  -10 25 o 371.935 7.6031  16812.27   686.153  17082.54   972.906  16544.80   967.847  374.591 10.704  368.634 10.821  5.956970       15.22040 
1 1 1 -6  -10 26 o 43.230  3.7647  228.572    39.096   216.264    56.164   240.142    54.455   41.813  5.6831  44.167  5.1797  -2.353683      7.689384 
1 1 1 -6  -10 27 o 502.397 10.168  30764.87   1239.52  30738.12   1755.89  30791.44   1750.01  500.994 14.444  501.448 14.383  -0.4542847     20.38420 
1 1 1 -6  -10 28 o 300.602 6.3390  10986.60   462.354  10837.87   656.424  11133.04   651.339  298.221 9.0716  302.283 8.8803  -4.061859      12.69465 
1 1 1 -6  -10 29 o 162.404 5.9519  3206.93    234.540  3786.82    321.042  2543.19    343.471  176.363 7.5022  144.012 9.8894  32.35159       12.41302 
1 1 1 -6  -10 30 o 105.794 4.8636  1360.04    124.848  1230.29    167.549  1522.01    187.205  100.302 6.9268  111.611 6.9472  -11.30811      9.810403 
1 1 1 -6  -10 31 o 321.841 9.6835  12646.52   756.200  13783.94   1056.43  11451.37   1082.91  335.157 12.991  305.022 14.632  30.13498       19.56647 
1 1 1 -6  -10 32 o 219.401 4.9592  5849.58    264.004  5925.14    376.415  5776.44    370.375  220.630 7.0313  217.847 7.0069  2.783646       9.926542 
1 1 1 -6  -10 33 o 179.374 4.4224  3908.61    192.479  4113.88    275.005  3711.50    269.492  183.911 6.1627  174.671 6.3586  9.239868       8.854952 
1 1 1 -6  -10 34 f 12.458  5.3398  -1.9699    28.858   -6.2722    40.866   2.3095     40.758   14.515  6.2887  15.264  6.4362  -0.7492046     8.998412 
1 1 1 -6  -10 35 o 411.732 8.4065  20668.45   839.831  20712.31   1191.80  20625.18   1183.65  411.138 11.947  410.292 11.890  0.8462830      16.85486 
1 1 1 -6  -10 36 o 112.107 3.6846  1526.26    100.229  1426.42    143.944  1620.22    139.643  108.173 5.5023  115.458 4.9846  -7.285431      7.424396 
1 1 1 -6  -10 37 o 94.074  5.4239  1079.69    123.282  998.993    200.630  1128.65    156.263  89.965  9.3264  96.047  6.7480  -6.082413      11.51158 
1 1 1 -6  -10 38 o 243.030 7.7587  7202.52    457.523  7730.01    678.763  6763.30    619.377  251.089 11.141  234.925 10.866  16.16447       15.56241 
1 1 1 -6  -10 39 o 208.339 6.9868  5290.77    353.196  5933.83    533.842  4790.15    471.024  220.098 9.9962  197.787 9.8148  22.31093       14.00905 
1 1 1 -6  -10 40 o 42.647  4.3406  223.396    44.289   247.603    63.120   199.920    62.160   44.696  5.9693  39.970  6.6426  4.726284       8.930684 
1 1 1 -6  -10 41 o 35.030  5.0187  152.396    41.439   144.189    53.775   164.395    65.021   33.774  6.7974  35.994  7.6790  -2.220242      10.25535 
1 1 1 -6  -10 42 o 69.065  3.7992  581.798    63.422   535.192    88.288   631.491    91.165   66.022  5.5631  71.794  5.2701  -5.772682      7.663034 
1 1 1 -6  -10 43 o 187.201 4.7199  4269.83    214.391  4168.86    306.813  4366.17    299.702  184.539 6.8521  188.931 6.5377  -4.392441      9.470582 
1 1 1 -6  -10 44 o 122.071 3.8818  1813.97    114.976  1906.89    163.406  1722.87    161.805  124.963 5.3892  118.747 5.6157  6.215836       7.783295 
1 1 1 -6  -10 45 o 55.461  3.7562  376.233    50.250   394.706    71.974   358.665    70.189   56.591  5.3034  53.899  5.4414  2.691902       7.598351 
1 1 1 -6  -10 46 o 69.893  5.2689  600.699    88.697   600.699    88.697   0.0000     0.0000   69.893  5.2689  ?       ?       0.000000       5.268899 
1 1 1 -6  -10 47 o 126.116 5.7995  1950.06    177.471  1950.06    177.471  0.0000     0.0000   126.116 5.7995  ?       ?       0.000000       5.799526 
1 1 1 -6  -10 48 o 15.860  5.8179  24.722     29.319   21.478     39.121   28.880     44.286   16.894  6.5971  18.460  7.0696  -1.565554      9.669628 
1 1 1 -6  -10 49 o 174.915 6.1972  3761.78    263.018  3682.17    353.873  3860.05    393.147  172.061 8.4762  175.529 9.2636  -3.467987      12.55629 
1 1 1 -6  -10 50 o 114.370 5.0869  1602.27    141.165  1519.20    183.775  1721.83    220.472  110.727 6.8741  117.573 7.7721  -6.845612      10.37589 
1 1 1 -6  -10 51 o 114.614 3.9260  1603.66    109.184  1587.83    156.875  1618.54    152.055  113.517 5.7138  114.813 5.4582  -1.296463      7.901816 
1 1 1 -6  -10 52 o 61.072  3.9783  457.588    58.631   455.242    83.820   459.836    82.043   60.545  5.7758  60.890  5.6163  -0.3454285     8.056193 
1 1 1 -6  -10 53 f 46.312  4.3188  264.826    47.972   233.960    65.743   299.975    70.157   43.015  6.5018  48.936  6.0364  -5.921616      8.871932 
1 1 1 -6  -10 54 o 62.716  7.5635  498.423    112.774  0.0000     0.0000   498.423    112.774  ?       ?       62.716  7.5635  0.000000       7.563503 
1 1 1 -6  -10 55 o 28.202  8.9546  100.345    68.847   0.0000     0.0000   100.345    68.847   ?       ?       28.202  8.9546  0.000000       8.954594 
1 1 1 -6  -10 56 f 16.326  6.0178  26.527     31.423   53.275     39.765   -17.9431   51.273   20.945  6.8206  15.297  6.8185  5.648218       9.644290 
1 1 1 -6  -10 57 o 27.893  5.6546  99.737     36.960   115.868    47.140   74.000     59.545   29.898  6.6678  24.766  8.3552  5.132444       10.68970 
1 1 1 -6  -10 58 o 45.295  4.4733  254.680    48.522   245.033    65.157   266.690    72.701   43.939  6.2910  45.728  6.7557  -1.789215      9.231247 
1 1 1 -6  -10 59 o 31.352  5.2117  124.513    38.255   135.057    48.584   107.312    62.055   32.385  6.4097  28.731  8.3825  3.654680       10.55231 
1 1 1 -6  -10 60 o 25.178  6.3441  82.028     38.741   81.644     44.427   83.247     79.149   25.145  7.0157  26.903  9.6007  -1.758570      11.89091 
1 1 1 -6  -10 61 o 32.760  5.0237  135.434    38.659   157.306    43.528   53.751     84.120   35.303  5.2405  24.726  9.6688  10.57759       10.99763 
1 1 1 -6  -10 62 o 25.901  10.245  57.747     95.419   200.442    181.043  2.8629     112.280  39.344  14.453  24.087  10.430  15.25786       17.82358 
1 1 1 -6  -9  1  o 418.175 11.974  21269.95   1215.00  20797.97   1726.42  21733.12   1710.24  412.943 17.230  422.193 16.695  -9.250000      23.99165 
1 1 1 -6  -9  2  o 448.017 12.748  24423.16   1385.80  23577.17   1966.98  25256.92   1952.72  439.482 18.446  454.981 17.688  -15.49854      25.55616 
1 1 1 -6  -9  3  o 408.070 11.615  20252.91   1150.01  20872.63   1631.97  19641.63   1620.81  413.773 16.255  401.339 16.644  12.43414       23.26464 
1 1 1 -6  -9  4  o 220.480 6.9804  5902.93    373.431  6050.69    532.177  5759.61    524.138  223.122 9.8299  217.685 9.9232  5.436859       13.96774 
1 1 1 -6  -9  5  o 309.556 6.4133  11634.66   481.711  11875.38   684.697  11398.75   677.840  312.622 9.0264  306.279 9.1211  6.342987       12.83236 
1 1 1 -6  -9  6  o 311.861 6.4468  11808.72   487.829  12250.66   693.539  11375.96   686.306  317.523 9.0019  305.964 9.2445  11.55859       12.90327 
1 1 1 -6  -9  7  o 349.215 7.0983  14809.55   601.468  15397.58   854.319  14231.64   846.937  355.917 9.8925  342.156 10.201  13.76123       14.21028 
1 1 1 -6  -9  8  o 353.994 7.1732  15218.03   616.128  16248.79   875.021  14204.46   867.698  365.625 9.8632  341.811 10.462  23.81351       14.37840 
1 1 1 -6  -9  9  o 314.198 6.5459  11986.64   499.042  11623.11   709.384  12342.81   702.175  309.259 9.4536  318.711 9.0800  -9.451996      13.10786 
1 1 1 -6  -9  10 f 316.371 6.5609  12153.00   503.642  12244.36   716.117  12063.57   708.461  317.427 9.2977  315.077 9.2669  2.350464       13.12718 
1 1 1 -6  -9  11 o 225.981 4.9933  6198.39    273.795  6153.77    388.507  6242.42    385.915  225.112 7.1127  226.730 7.0148  -1.618683      9.989954 
1 1 1 -6  -9  12 o 394.039 7.8727  18858.59   752.710  19529.01   1066.03  18192.03   1062.96  400.767 10.963  386.776 11.326  13.99054       15.76284 
1 1 1 -6  -9  13 o 457.638 13.036  25486.68   1447.52  24436.93   2059.79  26510.96   2034.65  447.348 18.976  466.098 17.991  -18.75000      26.14897 
1 1 1 -6  -9  14 o 427.801 12.209  22262.52   1267.33  21849.81   1805.65  22663.22   1779.20  423.214 17.584  431.095 17.009  -7.881744      24.46432 
1 1 1 -6  -9  15 o 456.101 12.937  25312.54   1431.74  24992.36   2038.58  25624.20   2011.28  452.503 18.567  458.258 18.088  -5.754639      25.92144 
1 1 1 -6  -9  16 o 489.005 11.214  29074.67   1330.54  28725.61   1632.36  29765.66   2296.70  485.781 13.849  493.742 19.171  -7.960785      23.64969 
1 1 1 -6  -9  17 o 47.948  3.1166  280.140    36.061   286.710    51.354   273.749    50.651   48.403  4.4213  47.283  4.4678  1.120415       6.285653 
1 1 1 -6  -9  18 o 232.322 5.2582  6551.25    296.410  6595.82    420.647  6507.30    417.742  233.054 7.4387  231.485 7.4374  1.568985       10.51900 
1 1 1 -6  -9  19 o 866.805 16.909  91618.55   3556.26  92441.74   5031.41  90796.74   5027.22  868.506 23.876  860.672 24.073  7.833984       33.90485 
1 1 1 -6  -9  20 o 602.384 11.833  44136.27   1729.54  44456.36   2448.08  43817.29   2443.80  603.796 16.710  599.424 16.802  4.372437       23.69669 
1 1 1 -6  -9  21 o 135.627 3.8218  2232.28    125.771  2029.91    179.107  2429.14    176.652  129.311 5.7084  141.465 5.1464  -12.15421      7.685804 
1 1 1 -6  -9  22 o 539.027 10.642  35331.62   1391.89  35720.13   1970.70  34944.89   1966.15  541.363 15.003  535.435 15.134  5.928467       21.30988 
1 1 1 -6  -9  23 o 377.442 7.8741  17307.68   721.132  17087.31   1022.05  17526.14   1017.64  374.760 11.240  379.560 11.050  -4.799774      15.76149 
1 1 1 -6  -9  24 f 374.589 7.7818  17049.50   707.293  17337.23   1002.53  16764.36   998.009  377.452 10.946  371.150 11.082  6.302521       15.57681 
1 1 1 -6  -9  25 o 464.359 9.2803  26228.02   1045.64  26263.35   1481.14  26192.91   1476.39  464.067 13.154  463.449 13.129  0.6182251      18.58482 
1 1 1 -6  -9  26 o 37.187  4.1705  169.988    36.983   123.734    54.608   209.178    50.265   31.280  7.3240  41.184  5.1421  -9.904240      8.948867 
1 1 1 -6  -9  27 o 383.986 7.8500  17938.22   731.388  18211.33   1036.92  17667.83   1031.77  386.367 11.061  380.536 11.174  5.830811       15.72279 
1 1 1 -6  -9  28 o 295.299 6.1913  10601.46   443.614  10440.73   629.927  10759.60   624.832  292.731 8.8687  297.196 8.6648  -4.465515      12.39884 
1 1 1 -6  -9  29 o 43.485  5.4060  233.357    55.808   248.776    71.420   209.181    89.433   44.715  6.7967  40.612  9.2788  4.103043       11.50177 
1 1 1 -6  -9  30 o 191.361 6.2993  4454.47    292.490  3872.05    401.145  5115.59    427.389  177.891 9.3261  204.835 8.5991  -26.94406      12.68543 
1 1 1 -6  -9  31 o 145.300 5.5956  2566.68    197.275  2787.20    267.771  2304.90    291.745  151.302 7.2938  137.200 8.8102  14.10205       11.43762 
1 1 1 -6  -9  32 o 46.993  3.8913  270.024    43.972   292.224    62.236   247.897    62.135   48.741  5.3504  44.773  5.8601  3.967537       7.935178 
1 1 1 -6  -9  33 o 198.054 4.7019  4765.82    225.956  4834.64    322.015  4699.07    317.140  199.332 6.6578  196.518 6.6510  2.813980       9.410749 
1 1 1 -6  -9  34 o 236.352 5.3133  6790.19    304.713  6922.51    433.991  6661.54    427.931  238.419 7.5020  233.877 7.5409  4.541748       10.63696 
1 1 1 -6  -9  35 o 71.009  3.6030  613.852    61.874   584.999    88.209   641.801    86.815   69.171  5.2959  72.502  4.9648  -3.330925      7.259192 
1 1 1 -6  -9  36 o 161.544 4.3142  3170.35    169.103  3037.08    242.178  3297.16    236.228  157.989 6.3175  164.645 5.9132  -6.655655      8.653110 
1 1 1 -6  -9  37 o 75.185  5.7143  691.514    103.466  413.927    170.092  854.557    130.358  56.962  12.637  83.540  6.4817  -26.57855      14.20249 
1 1 1 -6  -9  38 o 117.786 5.6296  1687.77    160.891  1800.93    254.280  1612.22    207.769  121.132 8.7096  114.756 7.5031  6.376709       11.49577 
1 1 1 -6  -9  39 o 126.213 6.0340  1939.54    184.786  1620.17    288.037  2162.91    240.891  114.477 10.486  132.945 7.4983  -18.46753      12.89124 
1 1 1 -6  -9  40 o 93.937  3.7127  1072.27    84.622   1037.73    118.894  1107.73    120.470  92.180  5.3385  95.260  5.2321  -3.079742      7.474903 
1 1 1 -6  -9  41 o 54.497  4.0243  363.090    52.837   287.045    70.748   459.000    79.454   48.120  6.2038  61.147  5.4111  -13.02674      8.232040 
1 1 1 -6  -9  42 o 86.653  3.7517  913.111    78.881   894.686    109.846  932.729    113.345  85.509  5.3207  87.307  5.3766  -1.797943      7.564214 
1 1 1 -6  -9  43 o 152.995 4.3034  2850.26    159.754  2742.81    228.211  2953.52    223.708  149.773 6.2797  155.486 5.9296  -5.712173      8.636831 
1 1 1 -6  -9  44 o 134.767 4.0506  2211.81    132.454  2213.44    188.733  2210.23    185.933  134.553 5.7808  134.470 5.6986  0.8276367E-01  8.117407 
1 1 1 -6  -9  45 o 137.530 5.8158  2315.18    194.074  2315.18    194.074  0.0000     0.0000   137.530 5.8158  ?       ?       0.000000       5.815779 
1 1 1 -6  -9  46 o 77.581  5.3705  739.817    100.475  739.817    100.475  0.0000     0.0000   77.581  5.3705  ?       ?       0.000000       5.370510 
1 1 1 -6  -9  47 o 55.158  3.8526  372.625    51.238   397.115    71.940   347.413    72.993   56.721  5.2881  52.928  5.7776  3.792980       7.832258 
1 1 1 -6  -9  48 o 83.236  4.8410  849.943    97.348   937.308    125.080  715.722    155.035  87.185  5.9482  75.418  8.6273  11.76689       10.47905 
1 1 1 -6  -9  49 o 77.071  4.8066  729.260    89.438   737.873    114.465  715.760    143.311  77.236  6.1590  75.588  7.9320  1.647598       10.04242 
1 1 1 -6  -9  50 o 84.028  4.7949  866.799    97.357   795.486    124.797  977.684    155.617  80.092  6.4771  88.598  7.3039  -8.505592      9.762198 
1 1 1 -6  -9  51 o 39.058  4.7258  189.428    43.876   220.128    61.048   156.627    63.102   41.835  6.2019  34.860  7.6686  6.974621       9.862618 
1 1 1 -6  -9  52 f 49.260  4.2988  299.079    50.867   324.685    70.326   270.984    73.663   51.033  5.7814  46.327  6.7516  4.705566       8.888696 
1 1 1 -6  -9  53 o 62.341  3.9668  477.129    59.692   465.989    82.135   489.601    86.903   61.251  5.5880  62.748  5.7725  -1.496464      8.034155 
1 1 1 -6  -9  54 o 70.397  7.4432  625.948    125.211  0.0000     0.0000   625.948    125.211  ?       ?       70.397  7.4432  0.000000       7.443211 
1 1 1 -6  -9  55 o 45.173  7.9215  263.640    83.661   308.875    206.097  254.716    91.542   47.095  15.537  44.078  8.8663  3.016933       17.88879 
1 1 1 -6  -9  56 o 38.034  4.6679  180.541    42.174   201.012    54.946   151.186    65.797   39.867  5.8546  33.935  8.1027  5.931667       9.996463 
1 1 1 -6  -9  57 o 11.456  5.1256  -12.1758   29.266   -18.8598   35.928   1.0053     50.454   12.360  5.5917  16.561  7.0785  -4.200708      9.020636 
1 1 1 -6  -9  58 o 58.712  5.7786  431.527    81.255   470.487    223.478  425.591    87.225   56.626  15.712  58.141  6.2828  -1.515198      16.92165 
1 1 1 -6  -9  59 o 41.841  4.5180  217.693    45.140   202.344    59.033   239.302    70.045   39.860  6.3141  43.239  6.9088  -3.378914      9.359478 
1 1 1 -6  -9  60 o 46.934  4.8000  274.137    53.893   231.467    67.774   347.517    88.878   42.534  6.7957  52.160  7.2157  -9.626266      9.912029 
1 1 1 -6  -9  61 o 29.992  6.2216  116.077    43.791   131.715    47.992   38.288     107.037  31.946  6.4143  25.668  10.596  6.277140       12.38627 
1 1 1 -6  -9  62 o 14.297  5.8448  10.016     32.175   12.849     33.787   -17.5600   105.427  14.904  6.0279  22.334  9.8757  -7.430034      11.57001 
1 1 1 -6  -8  1  o 139.161 5.3508  2350.70    180.675  2303.62    261.405  2393.77    250.003  137.494 7.8681  140.204 7.3748  -2.709183      10.78405 
1 1 1 -6  -8  2  o 340.073 9.8805  14056.19   815.296  14620.49   1158.54  13502.54   1147.55  346.534 13.778  332.985 14.203  13.54895       19.78817 
1 1 1 -6  -8  3  o 401.161 11.418  19572.77   1111.38  20269.82   1576.11  18883.41   1567.39  407.763 15.930  393.513 16.416  14.25073       22.87428 
1 1 1 -6  -8  4  o 214.394 6.8265  5581.50    355.121  5390.36    505.030  5768.44    499.449  210.586 9.8838  217.864 9.4480  -7.278046      13.67313 
1 1 1 -6  -8  5  o 107.294 4.6371  1397.23    120.722  1206.74    172.407  1580.47    169.096  99.423  7.1952  113.929 6.1396  -14.50565      9.458671 
1 1 1 -6  -8  6  o 111.175 3.3206  1499.84    89.576   1641.84    129.317  1368.87    124.196  116.308 4.5823  106.197 4.8198  10.11006       6.650432 
1 1 1 -6  -8  7  o 190.842 4.4602  4420.34    206.535  4302.54    295.359  4533.06    288.917  188.241 6.4665  193.225 6.1623  -4.984482      8.932550 
1 1 1 -6  -8  8  o 114.269 3.3807  1584.48    93.734   1799.29    135.534  1387.54    129.772  121.757 4.5877  106.917 5.0023  14.83974       6.787468 
1 1 1 -6  -8  9  o 119.258 3.4320  1725.87    99.310   1694.20    141.302  1756.77    139.604  118.144 4.9292  120.308 4.7823  -2.163574      6.867849 
1 1 1 -6  -8  10 o 223.940 5.0405  6087.12    273.887  6121.35    388.399  6053.26    386.279  224.514 7.1297  223.261 7.1305  1.252182       10.08352 
1 1 1 -6  -8  11 o 401.430 8.0297  19574.33   782.118  19162.42   1107.44  19984.23   1104.73  396.928 11.499  405.374 11.231  -8.445526      16.07368 
1 1 1 -6  -8  12 o 328.510 6.7439  13103.86   537.555  12991.50   761.507  13215.47   758.934  326.957 9.5988  329.770 9.4848  -2.812897      13.49442 
1 1 1 -6  -8  13 o 139.458 5.3894  2360.77    182.367  2161.46    268.583  2531.26    248.410  133.131 8.3569  144.378 7.0909  -11.24763      10.95986 
1 1 1 -6  -8  14 o 354.953 10.331  15314.43   889.744  15195.38   1272.07  15428.46   1244.95  353.214 14.843  355.952 14.414  -2.738129      20.69000 
1 1 1 -6  -8  15 o 705.558 19.515  60798.66   3340.99  61116.37   4739.95  60484.97   4709.93  705.023 27.708  701.383 27.675  3.640320       39.16209 
1 1 1 -6  -8  16 o 264.991 8.1017  8528.85    520.918  8621.73    751.310  8442.86    722.890  266.269 11.629  263.509 11.306  2.759583       16.21900 
1 1 1 -6  -8  17 o 255.665 5.5104  7934.22    341.835  8301.54    484.834  7571.12    482.033  261.453 7.6425  249.675 7.9568  11.77740       11.03259 
1 1 1 -6  -8  18 o 382.423 7.6745  17760.94   712.127  17840.60   1008.75  17681.79   1005.45  383.085 10.852  381.375 10.865  1.709778       15.35683 
1 1 1 -6  -8  19 o 778.346 15.280  73800.53   2885.73  73522.15   4082.87  74078.42   4079.20  775.264 21.705  778.221 21.603  -2.957275      30.62297 
1 1 1 -6  -8  20 o 144.877 3.8689  2547.12    136.003  2833.90    193.389  2266.49    191.303  152.798 5.2161  136.640 5.7700  16.15784       7.778253 
1 1 1 -6  -8  21 o 385.225 7.7849  18024.51   727.665  17773.60   1030.67  18273.87   1027.48  382.307 11.111  387.665 10.923  -5.358185      15.58101 
1 1 1 -6  -8  22 f 734.631 14.457  65752.77   2576.94  65613.04   3646.18  65892.22   3642.51  732.279 20.521  733.855 20.456  -1.575867      28.97530 
1 1 1 -6  -8  23 o 341.057 7.0132  14127.50   580.375  14071.05   822.583  14183.47   818.978  340.185 9.9656  341.547 9.8823  -1.362579      14.03467 
1 1 1 -6  -8  24 f 318.552 6.7163  12325.13   519.124  12422.15   736.067  12229.12   732.253  319.620 9.4912  317.125 9.5163  2.494904       13.44028 
1 1 1 -6  -8  25 o 40.142  4.0928  197.630    39.307   192.816    57.705   201.797    53.690   39.359  6.2513  40.376  5.6338  -1.016197      8.415380 
1 1 1 -6  -8  26 o 295.983 6.3245  10644.32   454.210  10670.71   644.310  10618.26   640.407  296.125 8.9672  295.399 8.9347  0.7254944      12.65860 
1 1 1 -6  -8  27 o 319.338 6.6815  12397.41   517.716  12390.98   734.419  12403.76   729.923  318.921 9.4907  319.094 9.4275  -0.1732788     13.37722 
1 1 1 -6  -8  28 o 240.687 5.2506  7038.85    306.638  6942.70    435.730  7133.18    431.603  238.846 7.5186  242.118 7.3467  -3.271469      10.51205 
1 1 1 -6  -8  29 o 231.365 7.2968  6516.04    409.632  6329.72    565.714  6721.40    593.930  227.664 10.241  234.573 10.435  -6.908691      14.62075 
1 1 1 -6  -8  30 o 137.929 5.2833  2312.36    176.817  1849.10    237.711  2886.15    264.552  122.935 8.0129  153.981 7.0808  -31.04581      10.69318 
1 1 1 -6  -8  31 o 217.518 7.0067  5758.76    369.805  5623.74    508.629  5910.17    538.625  214.626 9.7669  219.977 10.091  -5.351440      14.04368 
1 1 1 -6  -8  32 o 328.471 6.8804  13130.22   548.368  13212.13   778.638  13049.61   772.417  328.981 9.7544  326.955 9.7364  2.025909       13.78211 
1 1 1 -6  -8  33 o 240.388 5.4781  7024.51    319.526  7165.40    455.098  6887.54    448.727  242.549 7.7329  237.794 7.7771  4.754562       10.96725 
1 1 1 -6  -8  34 o 274.494 5.9627  9163.04    397.137  8750.56    564.888  9566.16    558.442  267.885 8.6906  280.167 8.2148  -12.28174      11.95866 
1 1 1 -6  -8  35 o 201.081 4.7361  4913.09    231.077  4740.70    329.627  5079.68    324.030  197.350 6.8837  204.316 6.5361  -6.966888      9.492401 
1 1 1 -6  -8  36 o 259.982 5.7750  8220.31    364.303  7842.95    518.033  8589.53    512.417  253.595 8.4188  265.465 7.9552  -11.86958      11.58286 
1 1 1 -6  -8  37 o 232.676 7.7335  6599.41    436.608  6606.11    647.650  6593.83    591.127  232.128 11.499  232.114 10.496  0.1371765E-01  15.56862 
1 1 1 -6  -8  38 o 42.779  8.8407  231.721    88.732   163.322    133.701  285.561    118.620  37.488  12.521  47.363  10.588  -9.875271      16.39713 
1 1 1 -6  -8  39 o 82.331  4.3431  826.224    86.456   822.352    103.540  835.138    157.117  82.051  5.2279  82.326  7.9650  -0.2741089     9.527479 
1 1 1 -6  -8  40 o 113.536 3.9319  1566.81    108.316  1633.10    153.913  1501.76    152.462  115.810 5.4773  110.896 5.6852  4.913910       7.894393 
1 1 1 -6  -8  41 o 263.229 5.9051  8449.15    377.162  8326.71    538.099  8567.39    528.798  260.603 8.5098  264.428 8.2417  -3.825500      11.84662 
1 1 1 -6  -8  42 o 216.676 5.1229  5721.98    269.334  5447.23    385.091  5985.06    376.836  210.852 7.5270  221.156 7.0224  -10.30502      10.29420 
1 1 1 -6  -8  43 o 55.336  3.9642  374.589    52.873   374.002    73.554   375.216    76.056   55.068  5.5819  55.129  5.7713  -0.6015015E-01 8.029094 
1 1 1 -6  -8  44 o 62.365  3.7827  475.197    56.970   460.318    81.042   489.732    80.102   61.131  5.5233  63.108  5.2796  -1.977634      7.640770 
1 1 1 -6  -8  45 o 34.969  7.2274  155.833    59.296   155.833    59.296   0.0000     0.0000   34.969  7.2274  ?       ?       0.000000       7.227359 
1 1 1 -6  -8  46 o 38.600  6.2771  187.429    56.771   187.429    56.771   0.0000     0.0000   38.600  6.2771  ?       ?       0.000000       6.277119 
1 1 1 -6  -8  47 o 36.018  4.5896  160.959    39.199   189.811    54.175   129.258    56.787   38.907  5.9258  31.734  7.4947  7.173290       9.554321 
1 1 1 -6  -8  48 o 47.563  5.1118  279.979    58.069   314.405    72.021   216.023    98.165   50.254  6.0266  40.731  10.005  9.522919       11.67997 
1 1 1 -6  -8  49 o 33.064  6.1134  138.527    47.240   138.259    56.360   139.159    86.615   32.828  7.2675  33.084  9.9675  -0.2550964     12.33564 
1 1 1 -6  -8  50 o 57.694  4.9818  410.625    69.056   407.689    85.765   416.037    116.444  57.209  6.2819  57.151  8.6692  0.5780411E-01  10.70598 
1 1 1 -6  -8  51 o 59.676  4.0809  437.081    58.737   450.602    83.571   423.881    82.572   60.254  5.7874  58.395  5.9090  1.858543       8.271049 
1 1 1 -6  -8  52 o 54.182  4.3299  361.517    56.448   443.272    82.097   288.209    77.740   59.725  5.7356  47.749  6.9109  11.97644       8.981004 
1 1 1 -6  -8  53 o 78.315  5.5840  759.745    105.414  0.0000     0.0000   759.745    105.414  ?       ?       78.315  5.5840  0.000000       5.583967 
1 1 1 -6  -8  54 o 37.366  9.1551  184.129    82.353   0.0000     0.0000   184.129    82.353   ?       ?       37.366  9.1551  0.000000       9.155061 
1 1 1 -6  -8  55 o 14.480  6.0222  6.6905     34.947   6.0923     40.594   8.4032     68.686   15.414  6.4571  19.734  8.3399  -4.320742      10.54745 
1 1 1 -6  -8  56 o 59.636  4.1028  438.237    59.007   428.735    81.136   448.906    85.971   58.538  5.7881  59.846  6.0013  -1.307343      8.337692 
1 1 1 -6  -8  57 f 109.373 4.0540  1467.37    107.586  1402.88    153.871  1529.06    150.485  106.094 6.0018  110.962 5.6075  -4.867043      8.213744 
1 1 1 -6  -8  58 o 22.637  8.1111  56.669     56.548   91.620     193.036  53.388     59.143   34.554  14.243  22.511  8.2623  12.04287       16.46614 
1 1 1 -6  -8  59 o 40.078  4.6961  200.303    44.802   193.821    59.110   209.054    68.678   38.950  6.4823  40.239  7.3031  -1.288582      9.765014 
1 1 1 -6  -8  60 o 66.917  4.3277  552.472    69.892   524.472    91.218   592.281    108.766  64.738  5.8709  68.552  6.6213  -3.814476      8.849304 
1 1 1 -6  -8  61 o 56.646  4.4651  397.387    60.874   391.986    77.826   405.900    97.703   55.862  5.8275  56.317  7.3232  -0.4555626     9.358927 
1 1 1 -6  -7  1  o 608.211 13.756  45039.07   2030.01  45995.78   2488.25  43134.89   3510.42  614.120 16.698  592.958 24.399  21.16260       29.56599 
1 1 1 -6  -7  2  o 438.657 12.402  23413.86   1320.02  23763.47   1871.04  23067.39   1862.58  441.276 17.475  434.738 17.657  6.537811       24.84231 
1 1 1 -6  -7  3  o 334.779 9.7517  13622.87   792.138  13036.01   1123.04  14203.95   1117.49  327.149 14.148  341.552 13.484  -14.40271      19.54425 
1 1 1 -6  -7  4  f 223.232 7.0054  6051.71    379.449  6248.84    538.313  5857.05    534.946  226.731 9.7850  219.497 10.044  7.234253       14.02257 
1 1 1 -6  -7  5  o 272.511 8.1933  9021.99    541.761  9214.85    766.794  8829.76    765.539  275.225 11.482  269.398 11.711  5.826965       16.40120 
1 1 1 -6  -7  6  o 241.379 5.3316  7072.78    312.266  6423.23    445.394  7700.71    437.923  229.944 7.9829  251.806 7.1675  -21.86215      10.72841 
1 1 1 -6  -7  7  o 239.999 5.2782  6992.01    307.371  6763.71    435.789  7218.02    433.595  235.974 7.6111  243.781 7.3303  -7.806854      10.56702 
1 1 1 -6  -7  8  o 267.206 5.7429  8668.03    372.340  8467.16    527.706  8867.17    525.438  263.997 8.2381  270.171 8.0153  -6.174103      11.49399 
1 1 1 -6  -7  9  o 227.349 5.0869  6274.04    280.612  6069.89    397.874  6476.09    395.824  223.556 7.3349  230.924 7.0643  -7.368195      10.18356 
1 1 1 -6  -7  10 o 337.907 6.9742  13865.81   571.814  13436.32   809.757  14292.99   807.580  332.461 10.038  342.918 9.7058  -10.45700      13.96301 
1 1 1 -6  -7  11 o 443.269 8.8234  23873.69   949.004  23189.61   1343.29  24555.34   1340.91  436.523 12.682  449.234 12.302  -12.71146      17.66831 
1 1 1 -6  -7  12 o 598.169 11.682  43520.55   1695.57  42780.45   2399.20  44259.05   2396.60  592.271 16.695  602.476 16.394  -10.20435      23.39847 
1 1 1 -6  -7  13 o 381.685 11.071  17713.98   1025.29  17181.71   1464.46  18225.72   1435.92  375.442 16.076  386.766 15.301  -11.32385      22.19340 
1 1 1 -6  -7  14 o 257.348 8.1378  8044.29    508.150  6892.68    732.858  9110.63    705.204  237.673 12.755  273.761 10.616  -36.08804      16.59479 
1 1 1 -6  -7  15 o 278.236 8.5514  9404.08    577.316  8741.49    831.291  10021.37   802.372  268.044 12.782  287.074 11.519  -19.02954      17.20631 
1 1 1 -6  -7  16 o 218.920 6.8814  5819.16    365.532  6699.62    531.702  5030.12    503.343  234.818 9.3319  203.180 10.243  31.63829       13.85639 
1 1 1 -6  -7  17 o 285.933 6.0748  9925.16    421.462  10067.91   597.109  9783.43    594.971  287.893 8.5479  283.793 8.6403  4.100433       12.15408 
1 1 1 -6  -7  18 o 230.557 5.2564  6452.05    294.054  6787.31    416.859  6120.00    414.859  236.420 7.2668  224.488 7.6163  11.93275       10.52681 
1 1 1 -6  -7  19 o 985.338 19.238  118548.90  4599.46  116641.70  6505.94  120454.60  6503.30  974.115 27.526  990.121 27.070  -16.00568      38.60590 
1 1 1 -6  -7  20 o 480.658 9.4157  28073.52   1098.13  28684.98   1554.31  27464.15   1551.66  485.492 13.194  475.018 13.462  10.47403       18.85024 
1 1 1 -6  -7  21 o 451.333 9.0030  24750.95   985.933  24934.85   1395.76  24567.81   1392.89  452.663 12.708  449.312 12.776  3.351257       18.02003 
1 1 1 -6  -7  22 o 600.660 11.812  43895.41   1721.57  44735.21   2436.09  43057.56   2433.26  605.550 16.580  594.027 16.882  11.52368       23.66186 
1 1 1 -6  -7  23 o 145.941 4.0670  2584.93    144.019  2770.21    205.158  2404.91    202.220  151.055 5.5974  140.738 5.9217  10.31735       8.148488 
1 1 1 -6  -7  24 o 160.980 4.2317  3145.42    165.291  3189.18    235.280  3102.78    232.262  162.059 5.9834  159.848 5.9883  2.210434       8.465304 
1 1 1 -6  -7  25 o 393.447 8.0354  18818.16   767.108  18656.99   1086.58  18978.31   1083.14  391.357 11.443  394.731 11.309  -3.374298      16.08798 
1 1 1 -6  -7  26 o 27.895  5.5001  97.824     35.904   57.468     50.169   140.190    51.404   22.622  7.6691  33.386  6.5795  -10.76371      10.10467 
1 1 1 -6  -7  27 o 369.330 7.5353  16593.32   675.274  16294.13   956.854  16890.19   953.120  365.470 10.790  372.138 10.556  -6.668671      15.09462 
1 1 1 -6  -7  28 o 225.926 5.2708  6202.23    288.937  6044.09    410.355  6357.71    406.903  222.840 7.5893  228.573 7.3367  -5.732513      10.55582 
1 1 1 -6  -7  29 o 277.405 8.4512  9378.47    568.850  9414.12    789.125  9339.90    820.757  277.351 11.726  276.146 12.249  1.204803       16.95718 
1 1 1 -6  -7  30 f 242.317 7.6884  7151.65    452.049  7477.57    624.073  6791.87    655.685  247.377 10.397  235.579 11.471  11.79749       15.48158 
1 1 1 -6  -7  31 o 142.310 5.4303  2461.73    187.511  2152.39    252.178  2844.24    280.426  132.699 7.8672  152.830 7.5622  -20.13075      10.91233 
1 1 1 -6  -7  32 o 65.935  3.6011  529.451    57.394   572.755    81.953   487.767    80.404   68.476  4.9662  63.128  5.2982  5.347157       7.261812 
1 1 1 -6  -7  33 o 143.402 4.0405  2497.53    140.590  2422.66    200.546  2569.89    197.146  141.153 5.8554  145.394 5.5883  -4.240173      8.094144 
1 1 1 -6  -7  34 o 51.989  4.3008  330.568    53.766   317.499    71.275   347.825    81.901   50.758  5.8971  53.076  6.4951  -2.318218      8.772786 
1 1 1 -6  -7  35 o 293.456 6.2715  10476.49   446.558  10232.32   634.793  10715.70   628.313  289.587 9.0342  296.403 8.7363  -6.815857      12.56741 
1 1 1 -6  -7  36 o 43.421  6.3416  234.219    64.843   149.187    123.903  266.290    76.095   35.972  12.053  46.251  6.9995  -10.27918      13.93791 
1 1 1 -6  -7  37 o 205.494 7.1901  5144.66    358.509  5183.72    538.244  5113.51    480.648  205.449 10.835  204.523 9.6855  0.9268036      14.53329 
1 1 1 -6  -7  38 o 113.570 5.8562  1573.86    160.828  1660.12    254.168  1516.26    207.695  116.193 9.0876  111.225 7.7443  4.968491       11.93977 
1 1 1 -6  -7  39 o 201.052 4.8099  4916.05    234.642  4824.97    334.611  5004.17    329.125  198.919 6.9327  202.614 6.6947  -3.694824      9.637451 
1 1 1 -6  -7  40 o 127.651 4.0410  1981.03    125.165  2048.42    178.342  1915.61    175.707  129.674 5.6681  125.390 5.7751  4.283966       8.091932 
1 1 1 -6  -7  41 o 61.227  3.8722  457.659    57.230   448.395    80.347   467.200    81.536   60.401  5.5442  61.671  5.5068  -1.269501      7.814277 
1 1 1 -6  -7  42 o 217.202 5.1297  5751.13    270.348  5608.07    387.371  5886.99    377.481  213.911 7.4633  219.273 7.0949  -5.361572      10.29747 
1 1 1 -6  -7  43 o 60.861  3.7081  452.370    54.497   416.862    77.103   487.817    77.038   58.169  5.5293  63.035  5.0800  -4.865440      7.508637 
1 1 1 -6  -7  44 f 75.995  5.3648  709.092    98.290   709.092    98.290   0.0000     0.0000   75.995  5.3648  ?       ?       0.000000       5.364816 
1 1 1 -6  -7  45 f 86.976  5.4296  928.805    114.012  928.805    114.012  0.0000     0.0000   86.976  5.4296  ?       ?       0.000000       5.429553 
1 1 1 -6  -7  46 o 121.358 3.9997  1795.49    117.775  1888.34    169.921  1709.64    163.390  124.159 5.6404  118.126 5.7005  6.032852       8.019355 
1 1 1 -6  -7  47 o 99.372  3.7876  1203.59    91.326   1285.06    130.919  1126.37    127.460  102.321 5.2913  95.730  5.5107  6.591652       7.639689 
1 1 1 -6  -7  48 o 82.227  4.8625  829.705    96.584   796.305    122.056  885.652    157.970  80.233  6.3208  84.229  7.8186  -3.995941      10.05397 
1 1 1 -6  -7  49 o 125.385 5.3782  1927.38    163.626  1977.20    214.335  1857.77    253.325  126.351 7.0188  121.830 8.6253  4.521034       11.12025 
1 1 1 -6  -7  50 o 66.728  3.8511  545.121    62.088   485.278    89.098   601.615    86.569   62.542  5.9427  69.873  5.1422  -7.331394      7.858594 
1 1 1 -6  -7  51 f 48.017  4.6833  284.992    53.870   242.267    79.239   321.708    73.457   43.506  7.7925  50.742  6.0878  -7.236183      9.888565 
1 1 1 -6  -7  52 o 44.287  6.5240  247.682    68.006   0.0000     0.0000   247.682    68.006   ?       ?       44.287  6.5240  0.000000       6.524014 
1 1 1 -6  -7  53 o 46.292  8.4793  277.440    91.732   0.0000     0.0000   277.440    91.732   ?       ?       46.292  8.4793  0.000000       8.479278 
1 1 1 -6  -7  54 o 108.334 5.9801  1457.65    156.586  3261.33    295.014  750.223    184.759  161.308 7.5374  75.759  10.319  85.54841       12.77901 
1 1 1 -6  -7  55 f 36.077  5.5240  164.421    46.817   147.176    66.616   181.251    65.809   33.478  8.2532  37.378  7.5167  -3.899971      11.16315 
1 1 1 -6  -7  56 o 53.340  4.3297  351.672    55.554   362.096    76.644   340.134    80.639   53.690  5.9851  51.841  6.5573  1.849396       8.878094 
1 1 1 -6  -7  57 o 48.940  6.4700  303.421    74.947   338.921    263.210  300.289    78.183   48.839  17.499  48.571  6.8221  0.2678413      18.78219 
1 1 1 -6  -7  58 o 27.285  5.8518  95.737     37.579   180.076    47.510   -45.2178   61.420   37.823  5.3242  15.328  7.0748  22.49504       8.854382 
1 1 1 -6  -7  59 o 18.514  6.5408  37.831     36.648   10.806     41.915   125.538    75.510   16.074  6.6327  31.018  9.2980  -14.94384      11.42126 
1 1 1 -6  -7  60 o 92.085  4.1847  1041.39    93.501   910.476    128.036  1190.97    136.866  85.267  6.2317  97.775  5.7949  -12.50780      8.509682 
1 1 1 -6  -7  61 o 21.973  6.8802  60.496     40.775   66.698     44.367   26.775     103.454  23.006  7.1725  24.591  10.305  -1.584703      12.55554 
1 1 1 -6  -6  1  o 280.193 5.9319  9531.19    403.289  9513.33    574.917  9548.50    565.864  279.830 8.4673  280.354 8.3184  -0.5236511     11.86981 
1 1 1 -6  -6  2  o 420.520 8.4464  21484.94   861.830  21248.76   1223.54  21717.51   1214.14  417.888 12.067  422.495 11.844  -4.607025      16.90796 
1 1 1 -6  -6  3  o 186.113 6.1754  4205.63    278.873  4223.87    395.014  4187.50    393.760  186.442 8.7318  185.637 8.7418  0.8048553      12.35576 
1 1 1 -6  -6  4  o 85.815  4.3736  896.117    90.766   996.882    128.644  796.231    128.081  90.422  5.8957  80.706  6.5983  9.715446       8.848522 
1 1 1 -6  -6  5  o 232.672 7.1418  6575.10    403.194  6153.60    562.936  7019.08    577.757  224.956 10.313  240.277 9.9099  -15.32059      14.30278 
1 1 1 -6  -6  6  o 45.877  3.8834  257.254    42.823   178.021    57.402   356.688    64.305   37.755  6.5005  53.980  4.9653  -16.22474      8.179914 
1 1 1 -6  -6  7  o 242.302 5.3035  7127.07    311.807  6932.65    441.991  7319.68    439.938  238.897 7.6250  245.484 7.3859  -6.587402      10.61567 
1 1 1 -6  -6  8  f 73.803  2.9864  660.938    53.479   647.510    75.933   674.154    75.331   72.914  4.3111  74.412  4.1892  -1.497879      6.011282 
1 1 1 -6  -6  9  o 180.167 4.3387  3939.63    189.671  4028.31    268.908  3851.82    267.569  182.149 6.0843  178.112 6.1912  4.037186       8.680470 
1 1 1 -6  -6  10 o 419.514 8.4589  21382.37   861.039  21709.75   1218.58  21055.94   1216.81  422.416 11.889  415.990 12.055  6.426117       16.93159 
1 1 1 -6  -6  11 o 282.773 6.0359  9707.77    414.140  9967.67    586.405  9449.15    584.963  286.436 8.4374  278.877 8.6447  7.559479       12.07975 
1 1 1 -6  -6  12 o 204.939 4.7134  5097.59    234.381  5299.32    332.096  4897.38    330.838  208.914 6.5514  200.829 6.7893  8.085159       9.434794 
1 1 1 -6  -6  13 o 394.247 11.304  18900.95   1081.38  19097.74   1544.23  18711.59   1514.78  395.822 16.079  391.816 15.933  4.005493       22.63602 
1 1 1 -6  -6  14 o 310.472 9.0987  11711.64   685.434  12541.47   984.245  10930.21   955.113  321.064 12.634  299.697 13.134  21.36722       18.22452 
1 1 1 -6  -6  15 o 530.812 15.105  34319.23   1945.48  32110.95   2766.93  36478.39   2735.99  512.264 22.261  546.319 20.640  -34.05463      30.35691 
1 1 1 -6  -6  16 o 557.337 15.305  37836.26   2069.76  40720.05   2943.21  35014.84   2911.22  577.166 21.016  534.929 22.429  42.23694       30.73686 
1 1 1 -6  -6  17 o 766.878 14.883  71617.51   2769.39  71660.61   3917.38  71574.43   3915.65  765.664 21.086  765.203 21.089  0.4613647      29.82242 
1 1 1 -6  -6  18 o 1028.49 20.135  129219.50  5024.65  128246.80  7106.83  130191.70  7105.01  1021.01 28.687  1028.83 28.461  -7.824280      40.41028 
1 1 1 -6  -6  19 o 295.972 6.2375  10634.76   447.947  11096.47   634.495  10175.97   632.493  302.234 8.6521  289.411 9.0069  12.82288       12.48932 
1 1 1 -6  -6  20 o 298.852 6.5308  10843.68   473.573  10441.79   670.707  11243.25   668.765  293.140 9.4296  304.200 9.0605  -11.06046      13.07706 
1 1 1 -6  -6  21 o 356.044 7.4488  15395.57   643.507  15553.22   911.177  15238.68   908.940  357.677 10.499  354.036 10.581  3.640930       14.90586 
1 1 1 -6  -6  22 o 351.293 7.2854  14987.98   620.995  14973.22   879.387  15002.67   877.057  350.929 10.328  351.276 10.290  -0.3477478     14.57882 
1 1 1 -6  -6  23 o 232.561 5.3244  6565.83    300.451  6305.34    425.898  6823.89    423.914  227.821 7.7045  237.018 7.3711  -9.196472      10.66270 
1 1 1 -6  -6  24 o 205.924 4.8286  5147.73    241.263  5248.30    342.503  5048.67    339.906  207.864 6.7908  203.870 6.8714  3.994537       9.660772 
1 1 1 -6  -6  25 o 200.444 4.7790  4877.98    232.431  4729.02    329.650  5025.25    327.773  197.282 6.8865  203.378 6.6421  -6.095947      9.567755 
1 1 1 -6  -6  26 o 185.177 4.5664  4163.61    205.177  4050.11    291.795  4274.60    288.561  182.553 6.5876  187.556 6.3408  -5.003067      9.143372 
1 1 1 -6  -6  27 o 152.959 4.0190  2840.74    149.163  2689.86    211.916  2988.89    209.993  148.775 5.8704  156.842 5.5180  -8.067169      8.056667 
1 1 1 -6  -6  28 o 357.186 10.451  15576.54   905.804  15671.47   1264.76  15476.57   1297.88  357.205 14.592  354.831 15.075  2.373871       20.98061 
1 1 1 -6  -6  29 o 258.616 8.0587  8148.12    505.692  8372.36    699.356  7902.41    732.078  261.677 11.015  254.067 11.875  7.610138       16.19705 
1 1 1 -6  -6  30 o 18.128  6.9879  25.872     43.456   -6.6083    54.849   80.641     71.224   16.943  7.3131  26.816  9.1375  -9.872641      11.70364 
1 1 1 -6  -6  31 o 181.640 5.1819  4009.70    228.384  4237.79    383.134  3883.97    284.444  186.466 8.4681  178.677 6.5609  7.789154       10.71238 
1 1 1 -6  -6  32 o 80.677  3.6415  790.325    71.285   845.880    102.442  738.171    99.257   83.275  5.0944  77.753  5.2926  5.521660       7.346065 
1 1 1 -6  -6  33 o 146.376 4.1217  2602.28    146.389  2609.10    209.519  2595.77    204.618  146.482 5.8949  146.114 5.7715  0.3677979      8.249811 
1 1 1 -6  -6  34 f 183.965 4.6141  4111.80    205.961  3977.53    292.135  4244.49    290.418  180.796 6.6593  186.786 6.4079  -5.989548      9.241625 
1 1 1 -6  -6  35 o 218.981 5.1911  5828.74    275.825  5569.01    392.368  6082.48    387.822  213.818 7.5628  223.505 7.1512  -9.687622      10.40848 
1 1 1 -6  -6  36 o 152.602 6.3931  2833.99    236.718  2459.13    363.512  3109.99    311.919  141.370 10.676  159.510 8.0856  -18.14082      13.39240 
1 1 1 -6  -6  37 o 279.672 8.8361  9551.11    599.614  9536.63    883.468  9563.47    816.455  278.388 13.079  279.075 12.057  -0.6866150     17.78872 
1 1 1 -6  -6  38 o 171.260 6.3624  3572.01    264.389  4128.85    410.234  3176.39    345.779  183.510 9.2428  160.966 8.8876  22.54436       12.82259 
1 1 1 -6  -6  39 o 192.901 4.7946  4526.03    224.415  4506.37    320.688  4544.90    314.155  192.222 6.8757  193.066 6.7062  -0.8446198     9.604567 
1 1 1 -6  -6  40 o 115.282 4.2342  1616.24    118.438  1703.50    191.406  1562.09    150.768  117.949 6.7158  113.241 5.4871  4.708046       8.672335 
1 1 1 -6  -6  41 o 152.944 4.2958  2846.40    159.419  2966.22    228.324  2732.42    222.688  155.903 6.0358  149.618 6.1341  6.284515       8.605652 
1 1 1 -6  -6  42 o 85.608  3.7282  891.515    77.442   839.353    110.574  941.732    108.494  82.751  5.5390  87.736  5.1187  -4.984856      7.541974 
1 1 1 -6  -6  43 f 121.975 5.5995  1817.75    165.725  1817.75    165.725  0.0000     0.0000   121.975 5.5995  ?       ?       0.000000       5.599538 
1 1 1 -6  -6  44 o 59.779  5.5500  440.638    79.584   440.638    79.584   0.0000     0.0000   59.779  5.5500  ?       ?       0.000000       5.550030 
1 1 1 -6  -6  45 o 73.401  3.7136  657.890    65.926   671.037    93.550   644.919    92.919   73.898  5.2515  72.425  5.3248  1.472839       7.478789 
1 1 1 -6  -6  46 o 99.124  3.8333  1197.49    92.198   1225.08    133.657  1172.44    127.346  99.864  5.5376  97.720  5.3916  2.144112       7.728855 
1 1 1 -6  -6  47 o 84.832  3.8236  877.260    78.703   924.643    114.209  834.410    108.609  86.712  5.4560  82.353  5.4663  4.358772       7.723270 
1 1 1 -6  -6  48 o 20.452  6.9066  48.208     40.688   16.348     48.992   119.027    73.043   17.826  7.2413  30.656  9.1347  -12.83002      11.65672 
1 1 1 -6  -6  49 o 50.224  5.1675  312.212    62.075   280.751    76.841   371.311    105.316  47.218  6.9116  54.062  8.2933  -6.844017      10.79580 
1 1 1 -6  -6  50 o 99.727  3.9149  1214.07    94.732   1188.39    138.630  1236.57    129.754  98.127  5.8490  100.240 5.3541  -2.112816      7.929529 
1 1 1 -6  -6  51 o 83.790  3.9716  857.805    80.746   811.872    115.926  901.090    112.534  80.957  5.9431  85.445  5.4564  -4.488564      8.068007 
1 1 1 -6  -6  52 o 59.349  6.0289  439.268    85.613   0.0000     0.0000   439.268    85.613   ?       ?       59.349  6.0289  0.000000       6.028872 
1 1 1 -6  -6  53 o 62.449  6.7797  490.263    101.081  664.031    223.038  445.348    113.394  69.573  13.700  59.037  8.1318  10.53622       15.93143 
1 1 1 -6  -6  54 o 49.710  7.6446  316.631    89.254   205.587    234.246  335.491    96.536   42.080  16.223  51.055  8.0602  -8.974518      18.11501 
1 1 1 -6  -6  55 o 14.960  6.3303  3.0980     39.651   61.071     59.262   -43.8876   53.351   23.354  8.3104  14.070  6.5291  9.284304       10.56840 
1 1 1 -6  -6  56 o 49.323  4.8466  302.477    57.254   406.761    83.736   210.920    78.461   56.883  6.1656  40.112  8.3338  16.77137       10.36658 
1 1 1 -6  -6  57 o 31.020  8.3072  126.325    63.776   55.073     232.170  132.140    66.327   35.257  15.130  31.696  8.4646  3.561041       17.33682 
1 1 1 -6  -6  58 o 67.783  4.0655  565.414    66.557   554.955    92.156   576.816    96.226   66.682  5.7521  67.944  5.8953  -1.262054      8.236580 
1 1 1 -6  -6  59 o 37.564  5.4794  178.062    48.472   167.648    58.289   201.405    87.273   36.042  6.9168  38.884  9.3622  -2.842361      11.64016 
1 1 1 -6  -6  60 o 19.653  6.5780  45.896     36.905   36.270     42.855   73.517     72.595   18.967  7.0208  25.519  9.1853  -6.551777      11.56118 
1 1 1 -6  -6  61 o 56.493  5.1462  398.383    69.769   352.902    80.398   537.077    140.398  52.729  6.4162  63.829  9.3417  -11.10048      11.33292 
1 1 1 -6  -5  1  o 326.989 6.8026  12984.12   539.724  12100.98   768.288  13844.62   758.378  315.496 10.036  337.513 9.2604  -22.01727      13.65574 
1 1 1 -6  -5  2  o 211.208 4.8311  5414.68    247.582  5180.85    354.297  5637.83    346.114  206.539 7.0697  215.470 6.6202  -8.930771      9.685417 
1 1 1 -6  -5  3  o 166.448 5.7279  3363.59    231.333  3491.43    320.362  3224.31    334.398  169.529 7.7881  162.673 8.5015  6.856186       11.52953 
1 1 1 -6  -5  4  o 145.503 5.3246  2570.11    187.986  2642.25    258.703  2489.41    273.629  147.491 7.2289  142.926 7.9212  4.564865       10.72390 
1 1 1 -6  -5  5  o 378.197 10.801  17398.89   991.204  16948.14   1391.64  17863.02   1412.13  372.759 15.386  382.712 15.207  -9.952423      21.63302 
1 1 1 -6  -5  6  o 373.841 10.648  16999.04   965.866  16124.65   1354.83  17902.71   1377.33  363.594 15.357  383.188 14.814  -19.59360      21.33726 
1 1 1 -6  -5  7  o 134.041 3.7017  2180.44    120.393  2172.00    170.548  2188.81    169.977  133.761 5.2548  134.278 5.2170  -0.5171661     7.404727 
1 1 1 -6  -5  8  o 166.884 4.1971  3380.12    169.953  3416.80    240.710  3343.66    239.992  167.755 5.9136  165.949 5.9602  1.806213       8.396100 
1 1 1 -6  -5  9  o 220.493 5.0805  5901.49    271.808  6016.57    384.712  5786.79    384.077  222.573 7.1236  218.277 7.2518  4.295868       10.16533 
1 1 1 -6  -5  10 o 343.711 7.1830  14347.61   599.054  14218.59   847.625  14476.37   846.755  341.977 10.215  345.070 10.113  -3.093353      14.37442 
1 1 1 -6  -5  11 o 275.989 5.8497  9247.21    391.736  8926.15    554.411  9567.31    553.587  271.058 8.4296  280.638 8.1297  -9.579926      11.71111 
1 1 1 -6  -5  12 f 257.331 5.4675  8038.30    341.385  7902.82    483.215  8173.31    482.369  255.078 7.8073  259.412 7.6635  -4.334167      10.93997 
1 1 1 -6  -5  13 o 461.836 12.875  25955.25   1442.81  27811.62   2055.40  24151.98   2025.79  477.418 17.743  444.747 18.772  32.67041       25.83068 
1 1 1 -6  -5  14 o 256.924 7.8629  8017.10    490.175  8472.51    707.847  7597.49    679.449  263.980 11.051  249.969 11.202  14.01042       15.73588 
1 1 1 -6  -5  15 o 557.273 15.381  37830.76   2079.80  39972.99   2957.17  35733.97   2925.64  571.762 21.316  540.394 22.312  31.36804       30.85766 
1 1 1 -6  -5  16 o 367.108 8.7153  16371.26   776.315  16016.80   954.141  17065.46   1335.28  362.984 10.833  374.365 14.700  -11.38086      18.26048 
1 1 1 -6  -5  17 f 574.511 11.302  40129.72   1575.57  40679.82   2228.91  39580.35   2227.46  577.827 15.898  569.932 16.107  7.894226       22.63138 
1 1 1 -6  -5  18 o 221.319 5.1324  5945.19    275.615  5860.92    390.393  6028.94    389.166  219.694 7.3235  222.824 7.1979  -3.130203      10.26860 
1 1 1 -6  -5  19 o 461.469 9.3274  25874.49   1044.40  25606.77   1477.86  26141.59   1476.15  458.722 13.278  463.504 13.125  -4.781738      18.67009 
1 1 1 -6  -5  20 o 277.289 6.1239  9334.47    412.025  9708.08    583.503  8962.93    581.882  282.695 8.5067  271.616 8.8291  11.07950       12.26037 
1 1 1 -6  -5  21 o 647.564 12.666  51029.68   1990.20  50769.05   2815.70  51289.90   2813.43  644.909 17.994  648.233 17.887  -3.323120      25.37179 
1 1 1 -6  -5  22 f 111.462 3.5868  1507.65    97.005   1467.64    138.504  1546.18    135.906  109.956 5.1913  112.863 4.9628  -2.906639      7.181821 
1 1 1 -6  -5  23 o 519.037 10.229  32763.20   1288.18  32486.99   1823.29  33038.47   1820.23  516.202 14.557  520.590 14.410  -4.388550      20.48308 
1 1 1 -6  -5  24 o 61.475  3.6900  460.308    54.786   447.533    77.639   472.978    77.321   60.476  5.3459  62.202  5.1699  -1.725147      7.436875 
1 1 1 -6  -5  25 o 121.262 3.7153  1784.81    109.317  1754.71    155.106  1814.51    154.094  120.206 5.3179  122.240 5.1953  -2.033600      7.434396 
1 1 1 -6  -5  26 o 280.765 6.0496  9578.32    412.129  9624.01    584.747  9533.22    580.950  281.216 8.5697  279.888 8.5544  1.328064       12.10857 
1 1 1 -6  -5  27 o 124.602 3.8293  1885.00    115.775  1874.15    164.902  1895.55    162.582  124.194 5.4722  124.905 5.3645  -0.7108002     7.663096 
1 1 1 -6  -5  28 o 141.846 5.6565  2445.71    194.682  2720.88    262.117  2107.13    290.748  149.523 7.2248  131.139 9.1955  18.38399       11.69422 
1 1 1 -6  -5  29 o 279.586 8.5428  9528.39    579.537  9568.39    802.796  9484.87    837.483  279.566 11.835  278.219 12.406  1.346985       17.14538 
1 1 1 -6  -5  30 o 196.020 6.6677  4675.04    317.133  4849.36    432.593  4472.52    466.289  199.412 8.9405  191.112 10.091  8.300751       13.48210 
1 1 1 -6  -5  31 o 284.836 6.2426  9867.51    431.447  9893.11    613.345  9842.44    607.021  284.844 8.8743  284.124 8.8050  0.7192688      12.50128 
1 1 1 -6  -5  32 o 284.682 6.3435  9857.71    438.177  9895.74    622.889  9820.46    616.512  284.856 9.0120  283.780 8.9536  1.075897       12.70365 
1 1 1 -6  -5  33 o 134.693 3.9817  2203.32    130.132  2123.35    185.914  2280.14    182.209  132.149 5.7981  136.957 5.4830  -4.808075      7.980065 
1 1 1 -6  -5  34 o 297.663 6.4377  10779.73   464.961  10737.00   660.811  10821.62   654.344  296.641 9.1809  297.830 9.0547  -1.189819      12.89478 
1 1 1 -6  -5  35 o 276.046 6.0281  9268.92    403.764  9131.43    574.730  9402.90    567.358  273.612 8.6569  277.690 8.4204  -4.077515      12.07666 
1 1 1 -6  -5  36 o 250.541 7.9697  7652.98    484.488  8287.86    721.112  7130.60    654.117  260.052 11.428  241.268 11.174  18.78488       15.98288 
1 1 1 -6  -5  37 o 221.707 7.6061  5993.22    409.171  5741.69    615.013  6192.96    548.065  215.944 11.782  224.956 10.041  -9.011490      15.48023 
1 1 1 -6  -5  38 o 211.263 7.4097  5444.31    379.831  5192.03    574.408  5640.35    506.332  205.193 11.584  214.612 9.7234  -9.418716      15.12420 
1 1 1 -6  -5  39 o 130.143 3.9876  2058.73    125.920  2049.08    180.117  2067.95    176.105  129.708 5.7230  130.317 5.5693  -0.6092224     7.985645 
1 1 1 -6  -5  40 o 110.345 3.8403  1480.34    102.822  1459.28    147.140  1500.44    143.742  109.290 5.5671  110.983 5.3378  -1.692276      7.712635 
1 1 1 -6  -5  41 f 72.650  3.7211  643.540    65.375   675.593    92.579   611.658    92.329   74.275  5.1691  70.620  5.4298  3.655136       7.496859 
1 1 1 -6  -5  42 o 126.308 3.9373  1941.63    120.670  1852.82    172.497  2026.74    168.867  123.163 5.7721  128.868 5.4005  -5.704788      7.904607 
1 1 1 -6  -5  43 o 200.708 7.1890  4946.81    350.103  4946.81    350.103  0.0000     0.0000   200.708 7.1890  ?       ?       0.000000       7.188984 
1 1 1 -6  -5  44 o 102.027 5.6683  1277.56    139.771  1277.56    139.771  0.0000     0.0000   102.027 5.6683  ?       ?       0.000000       5.668279 
1 1 1 -6  -5  45 o 87.285  3.8223  928.292    80.953   958.142    118.200  901.920    111.099  88.300  5.5451  85.694  5.3702  2.605553       7.719264 
1 1 1 -6  -5  46 o 94.747  3.8227  1094.13    87.882   1033.33    128.124  1148.15    120.769  91.627  5.7928  96.740  5.1637  -5.113327      7.760122 
1 1 1 -6  -5  47 o 112.572 3.9712  1545.49    108.472  1592.36    157.955  1503.66    149.222  113.805 5.7387  110.623 5.5773  3.181870       8.002395 
1 1 1 -6  -5  48 o 124.220 5.3776  1891.13    162.084  1876.35    211.044  1912.40    253.083  123.081 7.0968  123.724 8.4816  -0.6429596     11.05904 
1 1 1 -6  -5  49 o 52.523  5.1551  341.213    64.851   313.612    79.966   394.243    110.842  49.978  6.7682  55.669  8.4733  -5.690624      10.84463 
1 1 1 -6  -5  50 o 78.563  4.0390  755.866    76.733   743.271    111.068  767.366    106.134  77.480  5.9534  78.827  5.5852  -1.346489      8.163185 
1 1 1 -6  -5  51 o 59.219  6.1011  437.161    86.412   0.0000     0.0000   437.161    86.412   ?       ?       59.219  6.1011  0.000000       6.101079 
1 1 1 -6  -5  52 o 35.872  7.9928  167.194    67.790   0.0000     0.0000   167.194    67.790   ?       ?       35.872  7.9928  0.000000       7.992812 
1 1 1 -6  -5  53 o 102.900 6.5437  1320.56    162.533  1409.10    328.095  1291.76    187.104  101.965 13.600  101.255 7.6726  0.7096558      15.61537 
1 1 1 -6  -5  54 f 98.948  6.5379  1223.89    156.082  1478.81    315.978  1141.62    179.512  104.811 12.683  94.928  7.8644  9.882668       14.92323 
1 1 1 -6  -5  55 o 87.285  4.0995  934.392    86.822   969.343    124.835  901.646    120.833  88.225  5.8649  85.066  5.8905  3.158958       8.312322 
1 1 1 -6  -5  56 o 102.074 4.1347  1278.37    102.406  1190.68    148.157  1358.59    141.705  97.609  6.2891  104.598 5.6038  -6.989418      8.423467 
1 1 1 -6  -5  57 o 37.750  5.5821  179.983    49.588   152.771    73.045   203.245    67.536   34.001  8.7896  39.677  7.2835  -5.676346      11.41514 
1 1 1 -6  -5  58 o 27.948  6.5820  101.210    43.899   65.176     63.345   134.508    60.893   24.087  8.5896  32.037  7.8864  -7.949980      11.66088 
1 1 1 -6  -5  59 o 26.338  6.9510  90.047     45.070   42.824     54.102   197.143    81.475   20.924  7.8599  38.572  8.8881  -17.64799      11.86495 
1 1 1 -6  -5  60 o 69.533  4.2663  596.627    71.631   528.152    94.322   689.932    110.103  64.841  6.0657  74.134  6.1772  -9.293121      8.657372 
1 1 1 -6  -4  1  o 333.107 6.9247  13475.72   559.692  12657.82   792.888  14288.01   790.167  322.650 10.128  342.843 9.4986  -20.19354      13.88511 
1 1 1 -6  -4  2  o 52.303  2.7763  332.877    35.108   357.241    49.902   309.001    49.401   54.120  3.8248  50.292  4.0835  3.827732       5.595006 
1 1 1 -6  -4  3  o 54.366  4.0557  360.713    53.116   408.001    70.618   299.108    80.602   57.750  5.0917  49.140  6.9541  8.609806       8.618907 
1 1 1 -6  -4  4  f 221.070 7.1192  5936.19    381.879  6421.32    529.150  5408.89    551.670  229.819 9.4892  210.582 10.834  19.23781       14.40171 
1 1 1 -6  -4  5  o 98.245  4.5201  1171.56    107.751  992.696    145.007  1392.09    161.011  90.163  6.6757  106.888 6.2352  -16.72569      9.134697 
1 1 1 -6  -4  6  o 217.809 7.0909  5762.33    374.753  6337.76    518.692  5133.94    542.039  228.326 9.3625  205.135 10.929  23.19052       14.39122 
1 1 1 -6  -4  7  o 51.598  3.0206  324.174    37.653   343.779    53.463   304.880    53.037   53.056  4.1869  49.923  4.4243  3.133327       6.091337 
1 1 1 -6  -4  8  o 48.883  2.9361  291.005    34.663   249.939    49.419   330.776    48.633   45.147  4.5744  52.063  3.8776  -6.915722      5.996795 
1 1 1 -6  -4  9  o 339.222 7.0728  13975.59   582.158  13686.29   823.338  14264.82   823.254  335.503 10.114  342.536 9.9052  -7.032990      14.15639 
1 1 1 -6  -4  10 o 162.393 4.0408  3200.48    159.219  2998.95    225.192  3401.93    225.149  157.167 5.9051  167.401 5.5430  -10.23404      8.099103 
1 1 1 -6  -4  11 o 173.986 4.2821  3673.85    180.776  3872.39    255.598  3475.14    255.712  178.597 5.8982  169.182 6.2292  9.415222       8.578591 
1 1 1 -6  -4  12 o 408.635 8.1402  20283.76   807.117  20732.44   1141.58  19835.30   1141.29  412.882 11.395  403.828 11.648  9.054047       16.29457 
1 1 1 -6  -4  13 o 464.350 13.082  26240.73   1473.97  26824.11   2099.93  25674.18   2069.41  468.762 18.462  458.583 18.598  10.17859       26.20580 
1 1 1 -6  -4  14 f 297.589 8.9770  10759.22   648.203  10438.06   932.039  11060.07   902.089  292.879 13.115  301.532 12.330  -8.653015      18.00100 
1 1 1 -6  -4  15 o 130.470 5.2240  2066.13    165.377  2426.55    247.630  1775.95    222.191  141.176 7.2535  120.689 7.6266  20.48655       10.52513 
1 1 1 -6  -4  16 o 228.109 5.1408  6315.58    284.534  6198.22    402.869  6432.39    401.917  225.927 7.3491  230.160 7.1969  -4.232498      10.28608 
1 1 1 -6  -4  17 o 278.108 6.1281  9389.36    413.528  9616.36    585.413  9163.28    584.223  281.365 8.5749  274.649 8.7667  6.716064       12.26311 
1 1 1 -6  -4  18 o 210.857 4.9128  5396.20    251.352  5122.85    356.004  5667.90    354.929  205.400 7.1431  216.061 6.7702  -10.66008      9.841762 
1 1 1 -6  -4  19 o 528.211 10.372  33912.23   1329.37  34604.39   1881.01  33221.55   1879.02  533.096 14.542  522.298 14.827  10.79785       20.76784 
1 1 1 -6  -4  20 o 437.139 8.8002  23215.67   933.423  22936.04   1321.12  23494.39   1319.00  434.186 12.540  439.456 12.370  -5.269928      17.61445 
1 1 1 -6  -4  21 o 293.938 6.1322  10489.63   437.356  10224.71   619.721  10752.49   617.317  290.091 8.8044  297.496 8.5519  -7.405426      12.27404 
1 1 1 -6  -4  22 o 303.359 6.3734  11174.31   469.132  11303.99   664.771  11045.65   662.142  304.985 8.9832  301.475 9.0518  3.509186       12.75275 
1 1 1 -6  -4  23 o 318.080 6.6819  12287.80   515.706  12285.92   730.766  12289.65   727.878  317.882 9.4743  317.934 9.4354  -0.5111694E-01 13.37119 
1 1 1 -6  -4  24 o 253.375 5.5535  7795.59    341.426  7528.69    484.635  8058.59    481.083  248.880 8.0253  257.509 7.6995  -8.628738      11.12151 
1 1 1 -6  -4  25 o 299.071 6.2897  10866.80   456.421  10849.62   647.336  10883.77   643.633  298.618 8.9341  299.094 8.8688  -0.4757996     12.58864 
1 1 1 -6  -4  26 o 99.996  3.6651  1213.84    88.927   1186.50    127.062  1240.09    124.501  98.687  5.3260  100.914 5.1011  -2.227303      7.374802 
1 1 1 -6  -4  27 o 127.268 3.8533  1966.62    118.991  1805.02    169.574  2123.38    167.011  121.867 5.7347  132.199 5.2066  -10.33184      7.745660 
1 1 1 -6  -4  28 o 87.689  5.0148  937.381    106.257  1108.04    138.608  694.140    165.477  95.271  6.0271  74.873  9.3095  20.39795       11.09014 
1 1 1 -6  -4  29 o 353.996 10.510  15312.61   902.735  15962.46   1258.49  14623.83   1295.64  360.302 14.395  344.498 15.500  15.80450       21.15361 
1 1 1 -6  -4  30 o 297.216 8.9211  10771.87   643.365  10485.08   891.673  11083.30   929.198  292.504 12.563  300.691 12.736  -8.187012      17.88968 
1 1 1 -6  -4  31 o 334.865 7.2323  13649.62   587.638  13885.91   834.270  13416.95   827.857  337.198 10.197  331.434 10.294  5.763885       14.48944 
1 1 1 -6  -4  32 o 91.479  3.6228  1016.13    80.413   966.900    115.533  1062.38    111.992  89.029  5.3734  93.372  4.9610  -4.343018      7.313293 
1 1 1 -6  -4  33 o 401.844 9.3510  19703.99   911.760  19042.96   1562.86  20045.05   1122.59  392.707 16.402  404.732 11.431  -12.02451      19.99219 
1 1 1 -6  -4  34 f 233.376 5.4183  6621.00    306.818  6567.84    436.932  6672.72    430.943  232.191 7.7554  234.058 7.5881  -1.867218      10.85013 
1 1 1 -6  -4  35 o 116.374 3.8486  1644.81    108.674  1554.61    154.087  1734.09    153.294  113.068 5.6165  119.433 5.2898  -6.364555      7.715322 
1 1 1 -6  -4  36 o 218.854 7.4877  5837.04    397.621  5695.20    597.331  5949.90    532.823  215.232 11.479  220.581 9.9552  -5.348068      15.19475 
1 1 1 -6  -4  37 o 228.477 7.6587  6366.73    424.581  6447.91    637.150  6301.88    569.436  229.182 11.458  226.818 10.347  2.364426       15.43807 
1 1 1 -6  -4  38 o 85.507  5.6661  893.901    116.891  849.187    198.087  917.790    144.787  82.627  10.090  86.481  6.9588  -3.853737      12.25684 
1 1 1 -6  -4  39 o 321.158 6.8483  12588.04   533.664  12375.25   758.895  12796.20   750.602  317.425 9.8532  322.886 9.5807  -5.461090      13.74316 
1 1 1 -6  -4  40 o 324.465 6.8838  12865.33   541.948  12419.24   771.052  13300.88   761.891  317.514 10.008  328.814 9.5494  -11.30026      13.83316 
1 1 1 -6  -4  41 o 193.786 4.7596  4574.86    223.798  4712.23    321.686  4446.00    311.555  196.262 6.7551  190.642 6.7352  5.620041       9.539107 
1 1 1 -6  -4  42 o 119.052 5.7973  1731.97    167.465  1731.97    167.465  0.0000     0.0000   119.052 5.7973  ?       ?       0.000000       5.797271 
1 1 1 -6  -4  43 o 84.228  5.6451  871.276    114.703  871.276    114.703  0.0000     0.0000   84.228  5.6451  ?       ?       0.000000       5.645144 
1 1 1 -6  -4  44 o 73.842  3.8544  666.034    68.820   706.689    100.176  629.697    94.706   75.813  5.4827  71.539  5.4980  4.274109       7.764571 
1 1 1 -6  -4  45 o 59.833  3.9329  438.222    56.779   426.980    81.581   448.783    79.074   58.749  5.7986  60.308  5.4630  -1.558475      7.966697 
1 1 1 -6  -4  46 o 84.583  3.8427  872.078    78.864   853.735    114.342  888.722    108.918  83.265  5.6936  85.044  5.3048  -1.778313      7.781913 
1 1 1 -6  -4  47 o 82.841  4.9473  842.387    98.989   752.212    124.191  999.484    163.920  77.894  6.6340  89.588  7.6129  -11.69376      10.09789 
1 1 1 -6  -4  48 o 186.561 6.5373  4287.82    295.927  4157.40    395.272  4454.13    446.380  182.505 8.9260  188.131 9.8127  -5.625580      13.26509 
1 1 1 -6  -4  49 o 80.197  4.9714  790.809    96.263   729.172    120.076  901.675    161.041  76.624  6.5205  84.829  7.9154  -8.204849      10.25526 
1 1 1 -6  -4  50 o 61.081  6.0829  464.249    88.955   0.0000     0.0000   464.249    88.955   ?       ?       61.081  6.0829  0.000000       6.082921 
1 1 1 -6  -4  51 o 21.635  8.0633  45.821     56.718   0.0000     0.0000   45.821     56.718   ?       ?       21.635  8.0633  0.000000       8.063256 
1 1 1 -6  -4  52 o 46.874  6.4771  277.283    71.699   298.591    238.969  275.175    75.162   47.339  16.705  46.587  6.8541  0.7519264      18.05610 
1 1 1 -6  -4  53 o 55.474  7.4437  391.529    97.667   391.341    258.218  391.560    105.504  52.207  17.399  55.243  8.1127  -3.035446      19.19742 
1 1 1 -6  -4  54 o 35.816  6.3779  164.033    53.396   185.195    69.935   134.454    82.682   37.689  7.9001  32.121  9.7523  5.568417       12.55063 
1 1 1 -6  -4  55 o 29.622  6.7428  113.764    47.376   102.183    69.536   123.798    64.723   28.363  8.9986  30.731  8.4274  -2.368143      12.32862 
1 1 1 -6  -4  56 o 41.258  5.3269  213.645    52.082   98.470     75.553   317.931    71.892   28.207  9.4120  50.263  6.0142  -22.05689      11.16941 
1 1 1 -6  -4  57 o 48.135  6.6648  294.170    75.753   196.055    263.152  303.035    79.102   42.331  16.927  48.801  6.8704  -6.470520      18.26814 
1 1 1 -6  -4  58 o 34.276  6.5216  151.036    52.258   184.527    70.005   108.886    78.535   37.578  7.9271  29.375  9.5861  8.202566       12.43917 
1 1 1 -6  -4  59 o 18.735  7.1730  31.412     45.581   19.301     58.330   50.405     73.048   19.191  7.8604  23.471  9.0564  -4.280525      11.99189 
1 1 1 -6  -4  60 f 32.679  6.6646  138.470    51.054   90.559     65.966   210.036    80.623   26.839  8.7869  39.803  8.5992  -12.96382      12.29457 
1 1 1 -6  -3  1  o 342.620 6.9968  14257.44   581.667  14282.64   823.713  14232.37   821.494  342.732 9.9051  342.129 9.8958  0.6029968      14.00132 
1 1 1 -6  -3  2  o 318.965 6.6270  12355.72   512.888  11704.13   726.440  13003.36   724.232  310.260 9.6496  327.066 9.1260  -16.80518      13.28149 
1 1 1 -6  -3  3  o 344.798 9.9715  14458.27   834.235  13791.80   1166.16  15156.84   1193.91  336.329 14.290  352.621 13.954  -16.29199      19.97284 
1 1 1 -6  -3  4  o 456.186 12.940  25351.88   1432.29  25424.83   2011.25  25276.82   2040.20  455.929 18.181  454.534 18.499  1.394104       25.93708 
1 1 1 -6  -3  5  o 455.675 12.946  25295.18   1431.33  25529.51   2010.03  25054.13   2038.68  456.876 18.132  452.514 18.567  4.362366       25.95210 
1 1 1 -6  -3  6  f 339.366 6.9869  13988.98   575.328  14243.96   814.157  13734.66   813.118  342.247 9.8040  336.059 9.9718  6.187866       13.98412 
1 1 1 -6  -3  7  o 317.930 6.5950  12275.59   508.756  12332.94   719.968  12218.38   719.013  318.510 9.3159  317.025 9.3471  1.484894       13.19680 
1 1 1 -6  -3  8  o 354.350 7.2305  15251.50   621.673  15563.54   879.649  14940.14   878.710  357.752 10.134  350.498 10.332  7.254272       14.47223 
1 1 1 -6  -3  9  o 250.517 5.6320  7619.19    342.343  7800.32    484.622  7438.76    483.671  253.394 7.8821  247.444 8.0558  5.949738       11.27048 
1 1 1 -6  -3  10 o 308.891 6.5263  11585.81   489.140  11682.99   692.258  11488.91   691.241  310.049 9.2018  307.459 9.2657  2.589844       13.05859 
1 1 1 -6  -3  11 f 110.533 3.4380  1482.58    92.208   1450.67    130.782  1514.12    130.023  109.324 4.9303  111.690 4.7978  -2.366592      6.879427 
1 1 1 -6  -3  12 o 83.363  3.2153  843.257    65.037   903.512    92.208   783.605    91.746   86.169  4.4251  80.211  4.7350  5.957626       6.480891 
1 1 1 -6  -3  13 f 524.869 14.787  33553.84   1883.23  33119.06   2680.64  33977.55   2646.27  520.376 21.230  527.185 20.687  -6.808350      29.64282 
1 1 1 -6  -3  14 o 361.466 10.456  15881.59   917.100  16323.16   1314.48  15462.79   1280.15  366.108 14.797  356.328 14.806  9.779968       20.93289 
1 1 1 -6  -3  15 o 377.035 11.052  17282.24   1011.09  16404.45   1447.79  18117.94   1412.66  366.892 16.263  385.697 15.095  -18.80548      22.18876 
1 1 1 -6  -3  16 o 935.801 18.172  106831.90  4126.15  105563.00  5836.21  108099.90  5834.30  927.583 25.931  938.791 25.613  -11.20752      36.44741 
1 1 1 -6  -3  17 o 581.635 11.268  41129.90   1590.26  41324.18   2250.08  40936.01   2247.86  582.391 15.923  579.640 15.983  2.750916       22.56054 
1 1 1 -6  -3  18 o 536.375 10.453  34968.23   1360.41  34965.38   1925.14  34971.07   1922.69  535.855 14.806  535.901 14.786  -0.4626465E-01 20.92526 
1 1 1 -6  -3  19 o 517.448 10.216  32542.94   1282.69  32487.16   1815.34  32598.56   1812.65  516.531 14.484  517.422 14.438  -0.8908081     20.45111 
1 1 1 -6  -3  20 o 600.630 11.970  43881.80   1744.41  44223.33   2468.50  43541.13   2465.42  602.182 16.894  597.498 17.006  4.683228       23.97099 
1 1 1 -6  -3  21 o 337.633 6.9596  13843.25   570.157  13410.90   807.831  14272.40   804.825  332.148 10.024  342.674 9.6796  -10.52518      13.93439 
1 1 1 -6  -3  22 o 799.433 15.608  77948.92   3027.56  77633.69   4283.56  78263.58   4279.68  795.662 22.188  798.926 22.077  -3.263733      31.29996 
1 1 1 -6  -3  23 o 188.146 4.5674  4296.88    208.512  4152.77    296.294  4438.28    293.488  184.911 6.6038  191.170 6.3271  -6.259506      9.145649 
1 1 1 -6  -3  24 o 417.856 8.4252  21229.55   854.218  21265.82   1210.24  21193.54   1205.86  417.751 11.940  417.044 11.917  0.7070313      16.86890 
1 1 1 -6  -3  25 o 279.520 5.9969  9492.18    406.725  9350.43    577.363  9631.82    573.053  277.223 8.5833  281.380 8.3934  -4.157867      12.00510 
1 1 1 -6  -3  26 o 113.872 3.7363  1574.21    103.233  1576.63    147.822  1571.91    144.231  113.920 5.3478  113.753 5.2256  0.1671829      7.477017 
1 1 1 -6  -3  27 o 185.161 4.6092  4164.45    207.082  4237.07    294.868  4093.77    290.888  186.656 6.5106  183.471 6.5343  3.185089       9.224136 
1 1 1 -6  -3  28 o 258.376 8.1064  8132.95    508.210  8340.16    700.827  7903.15    738.052  261.180 11.059  254.077 11.972  7.103165       16.29782 
1 1 1 -6  -3  29 o 266.724 8.2683  8669.17    535.107  8716.35    738.684  8617.08    776.220  266.918 11.406  265.263 12.060  1.655151       16.59908 
1 1 1 -6  -3  30 o 161.878 6.0688  3186.60    238.372  3451.12    321.397  2863.19    355.375  168.329 7.8690  152.875 9.6296  15.45358       12.43588 
1 1 1 -6  -3  31 o 205.834 5.0023  5148.23    249.831  4982.10    355.953  5309.53    350.733  202.308 7.2513  208.882 6.9201  -6.573318      10.02342 
1 1 1 -6  -3  32 o 340.163 7.0402  14083.14   581.081  14075.52   825.171  14090.64   818.417  339.515 10.017  339.716 9.9288  -0.2015076     14.10365 
1 1 1 -6  -3  33 o 150.599 4.1755  2754.76    152.578  2471.91    217.854  3027.09    213.761  142.552 6.2984  157.795 5.5830  -15.24283      8.416636 
1 1 1 -6  -3  34 o 181.093 4.5473  3984.43    199.811  3917.86    285.057  4048.73    280.158  179.434 6.5473  182.424 6.3293  -2.990250      9.106466 
1 1 1 -6  -3  35 o 209.017 6.0125  5314.72    304.930  5066.23    561.120  5418.85    363.248  203.036 11.436  210.941 7.0970  -7.904968      13.45955 
1 1 1 -6  -3  36 f 106.337 5.9117  1380.06    151.929  1085.17    242.081  1571.69    195.146  93.504  10.873  113.357 7.1312  -19.85328      13.00297 
1 1 1 -6  -3  37 o 87.888  6.3858  945.675    135.249  1083.69    231.923  874.552    166.491  93.471  10.402  84.235  8.2518  9.236275       13.27787 
1 1 1 -6  -3  38 o 290.938 6.2501  10314.67   441.219  10241.64   628.340  10385.72   619.706  289.235 8.9532  291.317 8.7671  -2.081421      12.53086 
1 1 1 -6  -3  39 o 54.085  4.3336  358.069    56.393   380.215    76.593   331.851    83.338   55.561  5.7654  51.699  6.8092  3.861851       8.922142 
1 1 1 -6  -3  40 o 265.541 5.9201  8604.07    381.440  8842.18    545.252  8375.86    533.804  268.420 8.3718  261.228 8.4217  7.191772       11.87482 
1 1 1 -6  -3  41 o 207.093 7.1371  5255.03    358.634  5255.03    358.634  0.0000     0.0000   207.093 7.1371  ?       ?       0.000000       7.137119 
1 1 1 -6  -3  42 o 49.385  6.0533  302.707    71.017   302.707    71.017   0.0000     0.0000   49.385  6.0533  ?       ?       0.000000       6.053348 
1 1 1 -6  -3  43 o 70.606  3.8937  609.021    66.449   600.942    96.562   616.287    91.581   69.851  5.7484  70.809  5.3703  -0.9586639     7.866617 
1 1 1 -6  -3  44 o 86.266  3.8345  906.681    80.264   898.258    116.550  914.280    110.696  85.472  5.6517  86.301  5.3121  -0.8287048     7.756336 
1 1 1 -6  -3  45 o 129.044 4.1075  2030.89    128.610  2074.48    185.930  1990.90    178.088  130.063 5.8916  127.446 5.7589  2.616753       8.238688 
1 1 1 -6  -3  46 o 12.076  5.3363  -9.6360    30.735   -57.6110   42.211   44.498     44.839   11.353  5.4283  20.370  7.2308  -9.016909      9.041618 
1 1 1 -6  -3  47 o 26.092  6.8590  86.970     43.998   108.317    51.650   30.513     83.997   29.054  7.3276  23.369  9.4858  5.685892       11.98637 
1 1 1 -6  -3  48 o 76.853  5.0840  726.540    94.270   787.737    117.298  614.916    158.419  79.803  6.1040  69.399  9.6707  10.40408       11.43594 
1 1 1 -6  -3  49 o 83.226  3.9561  845.715    79.890   977.107    115.851  726.578    110.316  89.059  5.3865  76.606  5.9823  12.45307       8.050016 
1 1 1 -6  -3  50 o 102.067 5.8083  1287.24    143.251  0.0000     0.0000   1287.24    143.251  ?       ?       102.067 5.8083  0.000000       5.808292 
1 1 1 -6  -3  51 o 20.324  7.2375  44.763     44.957   82.384     64.977   10.215     62.267   26.157  8.7285  19.095  7.9983  7.061636       11.83883 
1 1 1 -6  -3  52 o 39.092  8.7163  200.176    80.569   197.672    237.045  200.503    85.670   42.048  16.289  39.013  9.1997  3.035339       18.70751 
1 1 1 -6  -3  53 o 44.795  8.3276  260.779    87.182   286.474    247.204  257.129    93.169   46.407  16.913  44.259  8.9825  2.147820       19.15049 
1 1 1 -6  -3  54 o 19.575  7.7012  29.674     53.645   -131.1882  233.895  38.606     55.114   29.603  13.713  20.627  7.8898  8.976137       15.82109 
1 1 1 -6  -3  55 o 41.596  5.3424  217.137    52.674   180.731    76.185   250.477    72.906   37.006  8.6413  44.234  7.0278  -7.227715      11.13833 
1 1 1 -6  -3  56 f 63.840  4.4270  503.113    68.152   555.617    97.225   452.392    95.559   66.613  6.0823  59.852  6.6947  6.761211       9.045094 
1 1 1 -6  -3  57 o 13.691  6.3365  -39.3759   49.772   -115.6113  196.830  -34.1683   51.443   27.262  12.612  14.290  6.5512  12.97262       14.21185 
1 1 1 -6  -3  58 o 63.860  4.6224  504.382    71.139   462.143    96.424   554.836    105.385  60.481  6.6822  66.347  6.6352  -5.866096      9.416873 
1 1 1 -6  -3  59 o 22.265  7.4359  59.797     47.158   100.540    60.842   -1.5112    74.635   27.860  8.3450  19.744  8.5263  8.116327       11.93048 
1 1 1 -6  -2  1  o 228.334 5.1519  6329.20    285.432  6376.54    404.686  6282.34    402.645  229.114 7.2795  227.414 7.2969  1.699341       10.30713 
1 1 1 -6  -2  2  o 108.492 4.8689  1428.84    128.171  1552.90    172.549  1276.12    191.444  112.905 6.3239  102.189 7.7794  10.71574       10.02555 
1 1 1 -6  -2  3  o 245.398 7.6415  7316.69    455.000  7245.62    630.719  7393.82    657.020  244.034 10.652  246.495 10.985  -2.460693      15.30143 
1 1 1 -6  -2  4  o 508.476 20.225  31693.13   2495.32  31693.13   2495.32  0.0000     0.0000   508.476 20.225  ?       ?       0.000000       20.22514 
1 1 1 -6  -2  5  o 241.300 7.4773  7073.89    437.790  6643.84    606.499  7541.73    632.582  233.678 10.697  248.983 10.471  -15.30510      14.96858 
1 1 1 -6  -2  6  o 100.728 3.3386  1231.27    81.599   1210.90    116.005  1251.22    114.801  99.877  4.7868  101.527 4.6601  -1.650627      6.680615 
1 1 1 -6  -2  7  o 227.544 5.1289  6285.44    283.175  6237.79    401.474  6332.61    399.473  226.607 7.3016  228.326 7.2105  -1.719376      10.26187 
1 1 1 -6  -2  8  o 491.419 9.7118  29360.56   1158.01  28927.33   1638.96  29792.43   1636.40  487.241 13.863  494.508 13.638  -7.266541      19.44688 
1 1 1 -6  -2  9  o 261.998 5.7052  8333.65    362.688  8609.67    514.036  8060.02    511.807  266.213 7.9579  257.565 8.1895  8.648010       11.41910 
1 1 1 -6  -2  10 o 493.974 9.8176  29661.84   1176.72  30108.59   1665.50  29216.54   1662.77  497.202 13.805  489.755 13.992  7.446869       19.65636 
1 1 1 -6  -2  11 o 379.025 7.7915  17449.38   716.565  16783.75   1014.69  18111.58   1012.07  371.489 11.257  385.941 10.807  -14.45230      15.60520 
1 1 1 -6  -2  12 o 142.353 5.5536  2459.90    191.826  2394.64    287.128  2512.51    257.801  140.143 8.4838  143.644 7.4220  -3.500900      11.27213 
1 1 1 -6  -2  13 o 837.711 23.181  85952.05   4711.77  85649.76   6683.23  86250.80   6643.86  832.151 33.099  835.218 32.784  -3.066406      46.58684 
1 1 1 -6  -2  14 o 274.328 8.3794  9141.13    557.757  9266.87    807.741  9026.54    771.109  276.030 12.060  272.449 11.665  3.580750       16.77819 
1 1 1 -6  -2  15 o 844.715 23.511  87374.89   4818.98  85236.95   6835.61  89487.32   6794.69  830.172 33.935  851.105 32.902  -20.93280      47.26640 
1 1 1 -6  -2  16 o 485.644 9.5762  28657.25   1128.43  28974.20   1597.46  28341.58   1594.22  487.955 13.492  482.585 13.615  5.369720       19.16782 
1 1 1 -6  -2  17 o 639.369 12.517  49725.01   1941.91  49543.41   2747.99  49906.15   2744.57  637.354 17.769  639.700 17.682  -2.345459      25.06802 
1 1 1 -6  -2  18 o 308.942 6.4238  11587.58   481.544  11836.65   682.580  11340.80   679.443  312.139 9.0124  305.523 9.1653  6.615112       12.85402 
1 1 1 -6  -2  19 o 710.076 13.794  61376.05   2376.60  62349.96   3362.91  60404.34   3359.12  714.520 19.397  703.214 19.687  11.30640       27.63723 
1 1 1 -6  -2  20 o 871.549 17.143  92661.47   3625.34  92958.09   5128.95  92365.27   5125.06  870.551 24.281  867.747 24.341  2.803772       34.38124 
1 1 1 -6  -2  21 o 414.564 8.5502  20881.54   860.062  20848.14   1218.15  20914.73   1214.48  413.920 12.129  414.587 12.073  -0.6662292     17.11327 
1 1 1 -6  -2  22 o 441.140 8.9512  23653.01   958.121  23128.81   1356.89  24174.28   1353.10  435.802 12.832  445.584 12.515  -9.781647      17.92443 
1 1 1 -6  -2  23 o 729.402 14.382  64907.68   2545.37  64571.19   3601.93  65243.31   3597.46  725.439 20.463  729.258 20.331  -3.818665      28.84563 
1 1 1 -6  -2  24 o 83.804  3.6539  852.440    74.300   931.120    105.138  773.944    105.015  87.428  4.9767  79.643  5.4673  7.785027       7.393222 
1 1 1 -6  -2  25 o 312.974 6.6516  11905.94   505.127  11753.84   716.408  12056.31   712.323  310.667 9.5039  314.660 9.3298  -3.993622      13.31799 
1 1 1 -6  -2  26 o 241.480 5.4548  7085.38    319.613  7060.37    453.976  7109.96    450.052  240.863 7.7678  241.716 7.6735  -0.8534088     10.91884 
1 1 1 -6  -2  27 o 244.174 7.7095  7259.06    456.762  7143.40    627.974  7389.00    665.583  241.822 10.702  245.872 11.157  -4.049347      15.45994 
1 1 1 -6  -2  28 o 114.724 5.0936  1599.45    141.789  1242.37    186.218  2092.06    218.719  100.714 7.6781  130.934 6.9089  -30.22060      10.32891 
1 1 1 -6  -2  29 o 156.771 5.9112  2988.38    224.855  2997.48    301.989  2977.05    336.844  156.666 7.9705  155.998 8.9363  0.6682129      11.97442 
1 1 1 -6  -2  30 o 187.235 4.7457  4259.21    215.603  4475.07    306.955  4049.01    302.903  191.794 6.5959  182.416 6.8435  9.377701       9.504698 
1 1 1 -6  -2  31 o 145.033 4.0573  2554.62    142.780  2443.46    203.340  2662.74    200.533  141.759 5.9116  148.001 5.5841  -6.241913      8.132049 
1 1 1 -6  -2  32 o 230.026 5.3298  6431.23    297.474  6308.48    423.163  6551.16    418.264  227.595 7.6627  231.958 7.4315  -4.362778      10.67447 
1 1 1 -6  -2  33 o 178.521 4.5764  3871.96    198.232  3722.66    282.617  4016.55    278.123  174.906 6.6593  181.707 6.3081  -6.800980      9.172718 
1 1 1 -6  -2  34 o 358.748 7.5375  15677.87   656.116  16062.83   931.768  15299.25   924.057  362.404 10.596  353.639 10.769  8.765289       15.10795 
1 1 1 -6  -2  35 o 212.966 7.5546  5527.05    390.377  5155.50    591.269  5814.18    519.771  204.660 11.959  218.092 9.8222  -13.43217      15.47528 
1 1 1 -6  -2  36 o 128.577 6.2957  2012.66    196.414  1830.55    320.255  2122.46    248.674  121.716 10.961  131.685 7.8177  -9.969231      13.46369 
1 1 1 -6  -2  37 o 139.139 6.3392  2358.38    214.019  2426.84    345.461  2315.74    272.641  140.328 10.216  137.445 8.2128  2.882568       13.10790 
1 1 1 -6  -2  38 o 111.002 4.0082  1497.81    107.957  1376.43    154.942  1612.34    150.502  106.106 6.0432  115.076 5.3901  -8.969902      8.097692 
1 1 1 -6  -2  39 o 97.609  3.9894  1158.60    94.485   1133.47    134.191  1183.32    133.061  96.250  5.7726  98.375  5.5976  -2.125076      8.040893 
1 1 1 -6  -2  40 o 197.210 7.1202  4760.88    340.708  4760.88    340.708  0.0000     0.0000   197.210 7.1202  ?       ?       0.000000       7.120171 
1 1 1 -6  -2  41 o 167.402 6.3099  3428.21    256.300  3428.21    256.300  0.0000     0.0000   167.402 6.3099  ?       ?       0.000000       6.309900 
1 1 1 -6  -2  42 o 12.348  5.4710  -11.1669   32.516   -66.2939   46.762   40.442     45.245   11.846  5.6772  19.962  7.2418  -8.116014      9.201873 
1 1 1 -6  -2  43 o 150.628 4.3964  2767.09    160.680  2785.22    231.187  2750.14    223.480  150.699 6.3225  149.791 6.1488  0.9083862      8.819385 
1 1 1 -6  -2  44 o 64.562  3.8720  509.760    60.377   500.092    85.482   519.386    85.290   63.669  5.5899  64.917  5.4656  -1.248077      7.817860 
1 1 1 -6  -2  45 o 101.996 3.9027  1268.24    96.587   1284.60    138.414  1252.72    134.844  102.243 5.6006  100.980 5.5244  1.262939       7.866774 
1 1 1 -6  -2  46 o 55.228  4.0968  374.128    54.509   389.580    77.329   358.868    76.846   56.071  5.7660  53.745  5.9949  2.325836       8.317840 
1 1 1 -6  -2  47 o 50.066  5.3916  310.688    64.464   296.366    78.608   340.099    112.647  48.565  6.8620  51.414  9.3752  -2.849072      11.61820 
1 1 1 -6  -2  48 o 79.031  5.1057  768.489    97.384   851.625    121.626  619.987    162.555  82.977  6.0833  69.560  9.9114  13.41704       11.62938 
1 1 1 -6  -2  49 o 78.083  5.5833  753.236    105.085  0.0000     0.0000   753.236    105.085  ?       ?       78.083  5.5833  0.000000       5.583296 
1 1 1 -6  -2  50 o 82.235  4.3996  830.290    87.469   940.917    133.537  747.158    115.759  87.010  6.3694  77.534  6.2051  9.475922       8.892291 
1 1 1 -6  -2  51 o 77.804  4.2464  743.501    79.862   764.676    113.955  723.062    111.954  78.425  6.0348  76.228  6.1041  2.197517       8.583610 
1 1 1 -6  -2  52 o 30.457  9.4623  118.750    77.293   0.0000     0.0000   118.750    77.293   ?       ?       30.457  9.4623  0.000000       9.462314 
1 1 1 -6  -2  53 o 33.314  8.9473  146.218    73.856   -0.0014    212.875  166.228    78.748   32.237  14.152  35.450  9.1066  -3.212791      16.82908 
1 1 1 -6  -2  54 o 20.739  7.0402  50.444     42.280   -12.0006   63.614   99.853     56.586   17.620  7.7358  27.765  7.9771  -10.14450      11.11203 
1 1 1 -6  -2  55 o 24.071  7.1469  73.852     44.772   65.413     62.094   82.990     64.615   24.017  8.5108  26.059  8.7041  -2.041725      12.17357 
1 1 1 -6  -2  56 f 28.700  8.3832  106.798    62.033   24.633     222.942  113.693    64.584   33.667  14.637  29.551  8.5315  4.116285       16.94216 
1 1 1 -6  -2  57 o 55.673  4.6484  383.902    62.219   408.051    88.595   360.400    87.399   56.859  6.5408  53.268  6.9259  3.591354       9.526272 
1 1 1 -6  -2  58 o 20.211  7.3731  42.963     46.996   13.044     60.632   87.987     74.378   18.984  7.9169  27.063  9.3340  -8.079380      12.23930 
1 1 1 -6  -2  59 o 39.608  5.8594  199.147    54.612   177.488    72.499   227.560    83.037   36.620  8.3452  41.506  8.5303  -4.885895      11.93344 
1 1 1 -6  -1  1  o 242.433 6.1619  7137.17    362.472  6877.60    617.128  7273.88    447.866  237.760 10.697  244.687 7.5435  -6.927353      13.08954 
1 1 1 -6  -1  2  o 164.911 5.8511  3302.24    234.127  3086.03    317.510  3559.90    346.612  159.139 8.2510  171.146 8.3466  -12.00688      11.73652 
1 1 1 -6  -1  3  o 376.412 10.807  17241.20   987.012  16600.15   1378.35  17915.85   1414.02  368.776 15.404  383.141 15.210  -14.36475      21.64790 
1 1 1 -6  -1  4  o 367.521 10.584  16434.35   943.865  15839.51   1317.65  17061.26   1352.70  360.275 15.073  373.935 14.909  -13.66013      21.20062 
1 1 1 -6  -1  5  o 152.551 5.6609  2825.66    209.539  2815.57    283.588  2837.79    310.967  152.031 7.7129  152.571 8.4327  -0.5402527     11.42801 
1 1 1 -6  -1  6  o 241.234 5.3461  7065.11    312.923  7116.07    442.737  7014.24    442.345  242.018 7.5393  240.279 7.5872  1.739899       10.69613 
1 1 1 -6  -1  7  o 272.808 5.8928  9036.60    390.070  8670.66    551.974  9401.65    551.310  267.108 8.5166  278.159 8.1684  -11.05072      11.80068 
1 1 1 -6  -1  8  o 248.373 5.4627  7489.15    329.210  7457.44    466.074  7520.72    465.073  247.762 7.7527  248.813 7.7034  -1.051163      10.92922 
1 1 1 -6  -1  9  o 187.583 4.5406  4270.80    206.665  4281.65    292.886  4260.05    291.655  187.779 6.4282  187.305 6.4173  0.4741669      9.083135 
1 1 1 -6  -1  10 o 476.552 9.6605  27603.84   1117.05  27170.85   1580.69  28035.81   1578.81  472.341 13.792  479.831 13.561  -7.489746      19.34186 
1 1 1 -6  -1  11 o 222.111 4.9865  5987.95    268.736  6150.17    380.970  5827.29    379.137  225.048 6.9767  219.056 7.1331  5.991592       9.977751 
1 1 1 -6  -1  12 o 203.249 6.6634  5015.83    328.614  5474.15    482.592  4619.59    448.716  212.248 9.3707  194.975 9.4848  17.27313       13.33313 
1 1 1 -6  -1  13 o 36.279  5.4295  163.301    46.325   165.611    75.576   161.911    58.632   36.200  8.7099  35.903  6.9818  0.2975464      11.16277 
1 1 1 -6  -1  14 o 574.214 16.096  40179.08   2242.61  39865.75   3192.00  40484.50   3151.46  570.651 23.053  575.167 22.582  -4.516235      32.27026 
1 1 1 -6  -1  15 o 106.864 3.5533  1385.77    92.136   1503.78    130.581  1268.77    130.021  111.312 4.8348  102.105 5.2660  9.206573       7.148869 
1 1 1 -6  -1  16 o 695.718 13.471  58899.66   2274.01  58003.25   3217.70  59794.11   3214.19  689.324 19.238  699.954 18.925  -10.62982      26.98622 
1 1 1 -6  -1  17 o 634.966 12.420  49040.91   1913.56  49582.21   2708.00  48501.04   2704.37  637.649 17.503  630.627 17.674  7.022156       24.87375 
1 1 1 -6  -1  18 o 271.949 5.8296  8977.68    384.673  8494.39    545.515  9455.68    542.518  264.441 8.5019  279.023 8.0133  -14.58148      11.68307 
1 1 1 -6  -1  19 o 601.310 11.830  43976.80   1726.04  44461.97   2442.97  43493.20   2439.01  603.870 16.673  597.227 16.831  6.643372       23.69106 
1 1 1 -6  -1  20 o 845.824 16.660  87259.66   3419.15  88746.22   4837.45  85775.62   4833.35  850.785 23.433  836.279 23.820  14.50604       33.41389 
1 1 1 -6  -1  21 o 433.556 8.8019  22842.38   925.950  22978.69   1311.52  22706.91   1307.47  434.490 12.440  431.909 12.476  2.581116       17.61852 
1 1 1 -6  -1  22 o 298.275 6.5032  10804.79   470.660  10826.89   667.494  10782.94   663.750  298.424 9.2183  297.820 9.1852  0.6040955      13.01321 
1 1 1 -6  -1  23 o 121.144 3.8023  1781.25    111.768  1716.68    159.378  1843.73    156.782  118.900 5.5244  123.227 5.2436  -4.327171      7.616666 
1 1 1 -6  -1  24 o 97.660  3.6321  1157.65    86.068   1085.05    122.870  1227.60    120.600  94.367  5.3885  100.546 4.9433  -6.179024      7.312485 
1 1 1 -6  -1  25 f 246.831 5.5267  7401.97    330.998  7006.48    469.715  7792.08    466.505  239.954 8.0676  253.092 7.5965  -13.13824      11.08117 
1 1 1 -6  -1  26 o 360.988 7.5586  15859.69   662.062  16208.39   938.204  15513.80   934.401  364.376 10.612  356.442 10.804  7.933319       15.14370 
1 1 1 -6  -1  27 o 176.305 6.4630  3780.92    276.479  4374.45    374.220  3067.55    410.262  189.494 8.1389  158.081 10.760  31.41315       13.49139 
1 1 1 -6  -1  28 o 287.053 8.6626  10045.33   603.356  9573.00    833.605  10565.03   874.404  279.539 12.290  293.670 12.271  -14.13138      17.36747 
1 1 1 -6  -1  29 o 240.650 7.8337  7053.34    457.422  7633.65    627.667  6396.06    667.999  249.992 10.348  228.236 12.105  21.75555       15.92531 
1 1 1 -6  -1  30 o 50.865  4.0376  316.184    49.422   305.310    69.733   327.160    70.054   49.765  5.8892  51.564  5.6941  -1.798973      8.191772 
1 1 1 -6  -1  31 o 70.210  3.7837  600.325    64.220   588.899    91.506   611.416    90.151   69.389  5.4795  70.730  5.2913  -1.341011      7.617259 
1 1 1 -6  -1  32 o 129.186 4.0490  2026.92    126.920  2047.12    180.837  2007.30    178.176  129.757 5.7437  128.490 5.7150  1.266754       8.102557 
1 1 1 -6  -1  33 f 222.555 5.2106  6020.43    281.377  6145.67    400.872  5898.81    395.046  224.648 7.3543  220.085 7.3977  4.562851       10.43123 
1 1 1 -6  -1  34 o 180.077 4.7448  3940.77    207.318  3970.86    295.961  3911.78    290.501  180.608 6.7536  179.266 6.6786  1.341919       9.498108 
1 1 1 -6  -1  35 o 141.823 6.2791  2448.14    216.079  2551.05    348.811  2384.05    275.253  144.071 10.041  139.564 8.1638  4.506332       12.94091 
1 1 1 -6  -1  36 o 393.699 11.653  19043.57   1113.18  19230.95   1613.53  18873.39   1537.75  392.905 16.925  389.624 16.266  3.281128       23.47406 
1 1 1 -6  -1  37 o 132.750 6.3901  2147.66    205.829  2036.77    340.445  2211.54    258.405  128.250 11.048  134.312 7.9646  -6.062057      13.61955 
1 1 1 -6  -1  38 o 50.541  4.5824  313.313    55.585   241.300    76.503   393.841    80.900   43.837  7.4595  56.528  5.9895  -12.69049      9.566492 
1 1 1 -6  -1  39 o 66.898  3.9713  546.234    64.174   559.594    93.343   534.258    88.373   67.494  5.7547  65.963  5.5737  1.530678       8.011364 
1 1 1 -6  -1  40 o 71.110  5.6329  621.002    96.396   621.002    96.396   0.0000     0.0000   71.110  5.6329  ?       ?       0.000000       5.632948 
1 1 1 -6  -1  41 o 206.949 7.0866  5254.46    355.847  5254.46    355.847  0.0000     0.0000   206.949 7.0866  ?       ?       0.000000       7.086582 
1 1 1 -6  -1  42 o 120.513 4.0727  1769.47    119.092  1900.54    170.719  1645.23    166.215  124.654 5.6443  115.783 5.9364  8.871666       8.191440 
1 1 1 -6  -1  43 o 111.000 3.9201  1501.34    105.579  1432.59    151.857  1565.67    146.891  107.994 5.8167  113.140 5.3507  -5.146202      7.903418 
1 1 1 -6  -1  44 o 140.072 4.2513  2393.60    144.488  2424.33    207.409  2364.61    201.398  140.561 6.0813  138.845 5.9780  1.715729       8.527580 
1 1 1 -6  -1  45 o 82.086  3.8612  821.433    76.905   787.958    110.154  853.266    107.417  79.970  5.7145  83.312  5.3419  -3.342155      7.822532 
1 1 1 -6  -1  46 o 126.927 5.4903  1974.77    169.090  1918.08    217.914  2060.55    268.059  124.420 7.2497  128.415 8.6535  -3.994591      11.28893 
1 1 1 -6  -1  47 o 87.035  5.1463  931.158    108.198  961.855    134.802  875.569    181.402  88.169  6.3435  83.228  9.1328  4.941406       11.11973 
1 1 1 -6  -1  48 f 83.899  8.7159  888.746    174.843  0.0000     0.0000   888.746    174.843  ?       ?       83.899  8.7159  0.000000       8.715880 
1 1 1 -6  -1  49 o 116.724 5.9202  1683.12    167.122  0.0000     0.0000   1683.12    167.122  ?       ?       116.724 5.9202  0.000000       5.920157 
1 1 1 -6  -1  50 o 73.477  4.2777  663.141    75.935   689.426    109.287  638.607    105.586  74.459  6.1027  71.635  6.1337  2.824310       8.652456 
1 1 1 -6  -1  51 o 55.041  6.2590  379.929    82.104   247.623    229.392  399.368    87.929   44.327  16.271  56.363  6.5517  -12.03611      17.54099 
1 1 1 -6  -1  52 o 42.027  8.2949  230.048    81.584   206.946    206.915  234.301    88.776   41.250  15.395  42.225  8.9431  -0.9757233     17.80451 
1 1 1 -6  -1  53 o 50.972  7.7425  333.716    92.746   357.077    235.020  329.407    100.938  49.880  16.598  50.335  8.5718  -0.4547424     18.68064 
1 1 1 -6  -1  54 o 44.000  5.2785  242.384    55.230   202.463    78.859   280.819    77.377   39.236  8.5269  46.896  7.0156  -7.660263      11.04204 
1 1 1 -6  -1  55 o 50.472  4.8800  316.651    59.017   288.456    84.663   343.303    82.313   47.338  7.6303  52.056  6.6703  -4.718044      10.13482 
1 1 1 -6  -1  56 f 14.763  6.2648  2.2408     39.014   -11.7881   58.046   13.800     52.690   16.804  7.3833  17.982  7.4296  -1.177734      10.47431 
1 1 1 -6  -1  57 o 27.331  7.3382  97.120     49.689   107.971    62.375   78.274     82.200   28.825  8.4024  26.669  9.7478  2.155766       12.86935 
1 1 1 -6  -1  58 o 48.734  5.2574  297.075    61.184   284.429    81.486   313.419    92.639   47.002  7.3888  49.140  8.0482  -2.138073      10.92555 
1 1 1 -6  0   1  o 466.258 13.099  26488.74   1481.90  25516.86   2077.27  27495.92   2114.67  456.594 18.750  474.050 18.385  -17.45624      26.25936 
1 1 1 -6  0   2  o 679.359 18.906  56509.46   3116.55  56522.00   4389.10  56496.71   4426.07  676.346 26.745  676.086 26.981  0.2597656      37.99012 
1 1 1 -6  0   3  o 162.548 5.9120  3208.42    233.174  3398.01    316.594  2983.65    344.713  167.225 7.8025  156.388 9.1239  10.83737       12.00521 
1 1 1 -6  0   4  o 677.657 18.886  56225.56   3105.39  56531.84   4373.84  55914.23   4409.76  676.450 26.648  672.574 27.022  3.876221       37.95097 
1 1 1 -6  0   5  o 462.430 9.1716  25998.34   1029.09  25644.76   1455.42  26351.86   1455.29  458.773 13.075  465.082 12.896  -6.308929      18.36438 
1 1 1 -6  0   6  o 168.760 4.2231  3456.71    172.928  3426.63    244.608  3486.77    244.505  167.987 6.0011  169.456 5.9466  -1.469208      8.448368 
1 1 1 -6  0   7  o 38.374  3.3008  180.020    30.435   198.477    43.026   161.538    43.057   40.188  4.4891  36.129  5.0495  4.058544       6.756453 
1 1 1 -6  0   8  o 151.387 4.0169  2781.42    147.553  2778.72    208.656  2784.12    208.686  151.287 5.6842  151.434 5.6795  -0.1470795     8.035290 
1 1 1 -6  0   9  o 239.171 5.3750  6944.05    311.927  6938.78    441.220  6949.32    441.043  239.009 7.6081  239.190 7.5993  -0.1816711     10.75327 
1 1 1 -6  0   10 o 256.072 5.6549  7960.34    351.362  8315.93    497.119  7605.37    496.683  261.654 7.8301  250.212 8.1810  11.44186       11.32430 
1 1 1 -6  0   11 o 189.292 6.4843  4350.48    297.822  4207.12    437.732  4474.05    406.381  185.801 9.7435  191.900 8.7276  -6.099106      13.08075 
1 1 1 -6  0   12 o 314.486 9.2112  12016.93   702.879  12882.56   1012.54  11211.86   976.481  325.385 12.825  303.523 13.259  21.86203       18.44657 
1 1 1 -6  0   13 f 762.231 21.288  71038.55   3937.25  68787.69   5587.83  73257.92   5548.60  746.881 30.834  771.237 29.650  -24.35565      42.77707 
1 1 1 -6  0   14 o 284.500 8.6852  9832.26    599.555  9656.21    867.048  9993.58    829.964  281.739 12.683  286.663 11.932  -4.924103      17.41395 
1 1 1 -6  0   15 o 381.732 7.6807  17696.13   711.412  17824.47   1007.25  17568.39   1004.93  382.927 10.841  380.162 10.894  2.764374       15.36909 
1 1 1 -6  0   16 o 257.449 5.6210  8045.36    351.129  7822.21    497.776  8266.37    495.376  253.782 8.0837  260.897 7.8253  -7.114517      11.25085 
1 1 1 -6  0   17 o 117.874 3.7222  1686.06    106.460  1609.64    151.376  1760.85    149.751  115.157 5.4175  120.447 5.1240  -5.290619      7.456878 
1 1 1 -6  0   18 o 123.494 3.7915  1850.70    113.610  1736.74    161.563  1962.17    159.789  119.614 5.5667  127.145 5.1795  -7.530930      7.603586 
1 1 1 -6  0   19 o 566.728 11.141  39055.39   1532.03  39118.53   2168.34  38992.45   2164.88  566.533 15.774  565.619 15.774  0.9138184      22.30785 
1 1 1 -6  0   20 o 706.269 13.843  60749.80   2372.26  60280.25   3356.68  61218.35   3353.08  702.153 19.702  707.643 19.528  -5.490601      27.74047 
1 1 1 -6  0   21 o 22.447  6.3718  62.696     36.319   103.061    52.312   25.132     50.465   28.605  7.4597  19.052  7.4778  9.552246       10.56242 
1 1 1 -6  0   22 o 19.941  6.4979  46.427     36.089   40.144     50.751   52.855     51.329   20.670  7.6424  22.181  7.7481  -1.511290      10.88296 
1 1 1 -6  0   23 o 347.461 7.0968  14671.39   598.323  14493.46   848.114  14847.68   844.212  345.050 10.130  349.260 9.9618  -4.210480      14.20753 
1 1 1 -6  0   24 o 157.662 4.2534  3017.98    162.714  3053.48    231.390  2983.24    228.856  158.528 6.0156  156.694 6.0193  1.834091       8.509937 
1 1 1 -6  0   25 o 457.176 9.3363  25469.64   1035.67  25777.25   1466.70  25163.72   1462.64  458.926 13.171  453.394 13.295  5.531799       18.71498 
1 1 1 -6  0   26 o 371.647 7.7958  16817.54   702.997  16935.99   996.152  16700.01   992.237  372.283 11.028  369.672 11.062  2.610901       15.61987 
1 1 1 -6  0   27 o 343.303 10.143  14393.08   844.880  14291.44   1174.68  14502.01   1216.08  341.015 14.196  343.392 14.595  -2.377838      20.36069 
1 1 1 -6  0   28 o 597.220 17.370  44107.84   2517.07  47921.90   3537.72  40197.64   3582.04  617.564 23.609  563.360 26.205  54.20465       35.27144 
1 1 1 -6  0   29 o 161.648 5.8769  3177.04    230.508  2745.32    308.348  3723.93    347.046  149.846 8.5159  174.830 8.1810  -24.98409      11.80888 
1 1 1 -6  0   30 o 65.470  3.8039  522.247    60.166   497.215    85.741   546.530    84.450   63.710  5.6034  66.854  5.2482  -3.144360      7.677363 
1 1 1 -6  0   31 o 81.065  3.8204  798.024    75.145   773.171    106.533  822.635    106.012  79.558  5.5535  82.095  5.3513  -2.536507      7.712181 
1 1 1 -6  0   32 o 142.308 4.1545  2459.81    143.454  2467.75    204.699  2452.15    201.097  142.452 5.9222  142.006 5.8363  0.4462738      8.314726 
1 1 1 -6  0   33 o 81.088  4.0207  798.639    79.109   713.112    110.602  888.225    113.196  76.333  6.0204  85.296  5.4987  -8.963287      8.153597 
1 1 1 -6  0   34 o 105.157 4.9050  1344.06    125.153  1850.97    267.958  1202.63    141.539  122.799 9.0570  99.254  5.9038  23.54504       10.81126 
1 1 1 -6  0   35 o 12.454  6.0303  -93.2918   56.102   -191.8754  143.779  -75.5862   60.932   21.082  10.063  14.008  6.6474  7.074397       12.06022 
1 1 1 -6  0   36 o 405.402 11.768  20218.15   1157.62  21346.63   1676.84  19190.61   1600.09  413.674 16.706  392.156 16.816  21.51755       23.70367 
1 1 1 -6  0   37 o 67.093  3.9644  549.066    64.251   616.289    91.123   482.600    90.609   70.952  5.3320  62.646  6.0357  8.306232       8.053535 
1 1 1 -6  0   38 o 34.407  5.2163  147.427    42.182   166.726    60.628   129.318    58.727   36.317  7.1347  31.880  7.6826  4.437120       10.48459 
1 1 1 -6  0   39 o 189.158 7.0015  4378.41    321.349  4378.41    321.349  0.0000     0.0000   189.158 7.0015  ?       ?       0.000000       7.001454 
1 1 1 -6  0   40 o 189.326 6.6915  4389.16    307.398  4389.16    307.398  0.0000     0.0000   189.326 6.6915  ?       ?       0.000000       6.691546 
1 1 1 -6  0   41 o 16.140  6.2369  20.594     34.683   25.521     48.899   15.605     49.200   18.765  7.3622  17.836  7.2524  0.9283257      10.33437 
1 1 1 -6  0   42 o 11.600  5.2355  -16.6351   31.282   13.196     43.341   -49.0771   45.198   16.687  6.7984  12.395  5.8346  4.291991       8.958856 
1 1 1 -6  0   43 f 146.357 4.3498  2613.37    154.471  2665.63    221.202  2563.63    215.807  147.392 6.1851  144.553 6.1528  2.838806       8.724279 
1 1 1 -6  0   44 o 16.373  6.2221  23.274     34.137   21.879     47.008   24.831     49.655   18.095  7.1805  18.760  7.4002  -0.6649837     10.31125 
1 1 1 -6  0   45 o 53.999  4.2073  357.964    54.690   383.611    76.803   331.580    77.897   55.634  5.7735  51.559  6.3615  4.075329       8.590846 
1 1 1 -6  0   46 o 64.864  5.1889  518.520    80.982   542.965    99.650   470.978    138.971  66.151  6.2838  60.595  9.7854  5.556107       11.62934 
1 1 1 -6  0   47 o 28.007  10.425  78.857     94.762   0.0000     0.0000   78.857     94.762   ?       ?       28.007  10.425  0.000000       10.42544 
1 1 1 -6  0   48 o 87.636  5.6023  947.901    118.504  0.0000     0.0000   947.901    118.504  ?       ?       87.636  5.6023  0.000000       5.602299 
1 1 1 -6  0   49 o 22.316  7.0164  61.313     42.356   73.039     60.654   50.151     59.174   24.897  8.4325  22.328  8.2529  2.569008       11.79902 
1 1 1 -6  0   50 o 83.997  4.2670  866.287    86.680   928.289    124.407  807.790    120.839  86.477  5.9655  80.558  6.2305  5.919296       8.625914 
1 1 1 -6  0   51 o 15.060  6.9797  -48.8290   60.691   69.288     193.664  -61.6922   63.910   33.931  14.150  14.946  7.0045  18.98538       15.78857 
1 1 1 -6  0   52 o 63.843  6.9640  514.817    106.130  630.852    239.073  486.338    118.440  66.474  15.159  61.600  8.1222  4.873196       17.19741 
1 1 1 -6  0   53 o 19.999  7.1255  43.814     43.581   17.816     63.840   66.504     59.640   19.803  8.1798  23.963  8.3529  -4.159580      11.69100 
1 1 1 -6  0   54 o 24.063  7.3362  73.317     46.718   118.190    67.738   32.607     64.518   30.102  8.7509  21.105  8.4003  8.996861       12.13026 
1 1 1 -6  0   55 o 26.218  7.0592  89.025     45.906   52.211     65.860   123.810    64.020   23.018  8.6671  30.737  8.3619  -7.718540      12.04325 
1 1 1 -6  0   56 f 40.307  5.4052  204.230    51.531   147.589    74.377   256.517    71.462   33.421  8.9800  44.855  6.7773  -11.43460      11.25043 
1 1 1 -6  0   57 o 19.094  7.2907  33.059     47.011   41.508     60.331   20.000     75.008   21.430  8.2410  21.283  8.8347  0.1476307      12.08164 
1 1 1 -6  0   58 o 26.468  7.4891  91.094     50.256   106.612    63.798   65.716     81.585   28.603  8.5402  25.437  9.6304  3.166576       12.87167 
1 1 1 -6  1   1  f 164.656 5.9221  3292.12    236.600  3287.84    321.478  3297.17    349.478  164.487 8.0548  164.461 8.7896  0.2601624E-01  11.92213 
1 1 1 -6  1   2  o 373.735 10.767  16996.45   976.408  16456.05   1363.67  17564.96   1398.69  367.187 15.306  379.373 15.195  -12.18655      21.56730 
1 1 1 -6  1   3  o 370.332 10.723  16687.91   963.565  16435.02   1345.06  16954.51   1381.02  366.981 15.106  372.712 15.271  -5.730804      21.47966 
1 1 1 -6  1   4  o 151.236 4.0033  2776.00    146.905  2847.29    207.548  2704.42    207.962  153.136 5.5857  149.241 5.7429  3.894821       8.011301 
1 1 1 -6  1   5  o 241.885 5.4028  7103.38    317.099  6812.40    448.239  7394.91    448.652  236.787 7.8017  246.717 7.4946  -9.930054      10.81827 
1 1 1 -6  1   6  o 270.454 5.8578  8881.23    384.408  8851.97    543.608  8910.49    543.662  269.898 8.3008  270.790 8.2743  -0.8921509     11.72042 
1 1 1 -6  1   7  o 246.299 5.3968  7364.51    322.523  7100.71    456.217  7628.08    456.017  241.763 7.7771  250.592 7.4998  -8.828964      10.80419 
1 1 1 -6  1   8  o 185.969 4.5220  4197.62    204.048  4382.85    288.658  4012.62    288.477  189.990 6.2616  181.781 6.5403  8.208328       9.054482 
1 1 1 -6  1   9  o 473.737 9.5726  27277.72   1100.35  27585.20   1556.36  26970.43   1555.90  475.970 13.476  470.617 13.625  5.352844       19.16402 
1 1 1 -6  1   10 o 227.464 5.1257  6280.26    282.900  6211.35    400.262  6349.04    399.901  226.155 7.2941  228.650 7.2080  -2.495529      10.25477 
1 1 1 -6  1   11 o 203.633 6.7990  5034.96    335.936  4968.77    493.182  5092.26    458.846  202.189 10.053  204.715 9.2374  -2.526611      13.65243 
1 1 1 -6  1   12 o 27.972  6.3478  98.798     42.096   74.059     70.123   112.737    52.636   26.115  9.0599  29.877  7.3185  -3.762390      11.64654 
1 1 1 -6  1   13 o 555.928 15.694  37652.61   2117.02  36630.36   3014.23  38647.77   2974.01  547.077 22.707  562.131 21.804  -15.05457      31.48086 
1 1 1 -6  1   14 o 106.150 3.5887  1367.32    92.432   1501.10    131.289  1235.84    130.156  111.212 4.8653  100.763 5.3426  10.44907       7.225986 
1 1 1 -6  1   15 o 688.796 13.380  57731.14   2236.13  57266.21   3163.32  58195.51   3161.42  684.974 19.033  690.545 18.868  -5.571228      26.80023 
1 1 1 -6  1   16 o 639.656 12.544  49770.69   1946.87  48962.46   2754.38  50577.63   2752.19  633.573 17.917  643.997 17.613  -10.42346      25.12433 
1 1 1 -6  1   17 o 271.123 5.8129  8923.18    382.407  9286.09    541.955  8563.33    539.662  276.507 8.0778  265.517 8.3766  10.98972       11.63691 
1 1 1 -6  1   18 o 596.038 11.730  43207.29   1696.41  43209.17   2400.55  43205.41   2397.64  595.311 16.619  595.289 16.599  0.2233887E-01  23.48887 
1 1 1 -6  1   19 o 832.910 16.415  84602.48   3317.46  85867.41   4693.32  83339.42   4689.88  836.990 23.110  824.455 23.444  12.53540       32.91927 
1 1 1 -6  1   20 o 425.653 8.6561  22016.06   894.013  21668.42   1266.10  22361.76   1262.56  421.929 12.367  428.651 12.139  -6.722656      17.32912 
1 1 1 -6  1   21 o 296.996 6.4831  10712.26   467.197  10649.94   662.458  10773.93   658.987  295.975 9.2244  297.700 9.1229  -1.724701      12.97374 
1 1 1 -6  1   22 o 120.132 3.7778  1751.61    110.119  1809.43    157.149  1695.83    154.352  122.074 5.3055  118.178 5.3828  3.895821       7.557967 
1 1 1 -6  1   23 o 100.829 3.7233  1234.04    91.090   1302.44    130.210  1168.48    127.476  103.430 5.2051  97.939  5.3850  5.491196       7.489347 
1 1 1 -6  1   24 f 243.960 5.5274  7230.77    327.193  7304.52    464.655  7158.24    460.810  245.027 7.8154  242.560 7.8296  2.467117       11.06268 
1 1 1 -6  1   25 o 357.566 7.5474  15560.31   654.816  15186.25   928.073  15931.14   924.040  352.650 10.846  361.260 10.542  -8.610229      15.12494 
1 1 1 -6  1   26 o 184.367 6.6746  4135.33    298.588  4826.20    405.477  3316.87    441.333  199.012 8.3970  164.342 11.133  34.66985       13.94488 
1 1 1 -6  1   27 f 283.234 8.5864  9779.10    590.091  9308.07    814.723  10298.84   855.824  275.666 12.180  289.970 12.164  -14.30402      17.21396 
1 1 1 -6  1   28 o 233.733 7.6897  6652.82    436.106  7212.41    597.282  6013.83    638.250  243.030 10.129  221.329 11.929  21.70065       15.64882 
1 1 1 -6  1   29 o 48.755  4.1060  290.738    48.122   249.629    68.630   330.497    67.493   44.839  6.4973  51.861  5.4448  -7.022243      8.477106 
1 1 1 -6  1   30 o 66.508  3.8355  538.925    61.633   447.315    87.864   627.666    86.476   60.345  6.0837  71.696  5.0023  -11.35111      7.876193 
1 1 1 -6  1   31 o 131.544 4.1173  2101.67    131.415  2114.23    187.219  2089.47    184.509  131.861 5.8515  131.089 5.8008  0.7720184      8.239525 
1 1 1 -6  1   32 o 217.349 5.1287  5741.73    270.477  5701.43    385.048  5780.99    380.026  216.378 7.3340  217.898 7.1878  -1.520462      10.26894 
1 1 1 -6  1   33 o 177.866 4.6751  3844.40    201.765  3765.52    287.733  3920.70    283.004  175.877 6.7424  179.486 6.4983  -3.609024      9.364158 
1 1 1 -6  1   34 o 131.361 6.0221  2099.71    191.945  1991.42    311.599  2165.93    243.663  127.180 10.183  133.088 7.5768  -5.907852      12.69248 
1 1 1 -6  1   35 o 387.711 11.663  18469.29   1097.18  17906.18   1590.84  18980.14   1515.22  378.901 17.304  390.886 15.976  -11.98538      23.55075 
1 1 1 -6  1   36 o 123.764 6.0130  1865.78    180.571  1937.73    300.620  1825.17    225.854  125.309 9.9696  122.021 7.6673  3.287048       12.57699 
1 1 1 -6  1   37 o 53.365  4.1506  348.376    53.321   319.356    76.145   376.298    74.690   50.786  6.3156  55.290  5.6466  -4.504566      8.471814 
1 1 1 -6  1   38 o 69.888  5.7238  599.633    96.211   599.633    96.211   0.0000     0.0000   69.888  5.7238  ?       ?       0.000000       5.723771 
1 1 1 -6  1   39 o 74.446  5.6910  680.453    102.022  680.453    102.022  0.0000     0.0000   74.446  5.6910  ?       ?       0.000000       5.690995 
1 1 1 -6  1   40 o 205.089 5.0031  5131.66    248.968  5016.77    355.486  5242.27    348.796  202.161 7.2471  206.750 6.9528  -4.589493      10.04300 
1 1 1 -6  1   41 o 120.438 4.0529  1767.20    118.440  1826.47    169.485  1710.63    165.581  122.188 5.7166  118.240 5.7714  3.947899       8.123386 
1 1 1 -6  1   42 o 117.137 3.9823  1672.20    113.187  1676.25    161.923  1668.33    158.281  117.002 5.7036  116.747 5.5875  0.2550964      7.984437 
1 1 1 -6  1   43 o 139.171 4.2567  2362.96    143.742  2320.76    204.949  2403.82    201.656  137.509 6.1426  140.001 5.9363  -2.492203      8.542324 
1 1 1 -6  1   44 o 79.948  3.8827  779.243    75.319   761.799    107.638  795.979    105.431  78.631  5.6799  80.436  5.4339  -1.804314      7.860552 
1 1 1 -6  1   45 o 129.272 4.2030  2039.75    131.834  2114.74    188.776  1968.35    184.193  131.236 5.9283  126.594 5.9964  4.641136       8.432206 
1 1 1 -6  1   46 o 85.910  5.0913  907.071    105.657  871.524    131.210  972.634    178.194  83.863  6.4988  88.010  8.4482  -4.147255      10.65867 
1 1 1 -6  1   47 o 85.396  9.0622  923.308    184.904  0.0000     0.0000   923.308    184.904  ?       ?       85.396  9.0622  0.000000       9.062228 
1 1 1 -6  1   48 o 116.259 4.1810  1652.72    117.943  1618.42    166.545  1687.23    167.049  114.416 6.0202  116.868 5.9101  -2.452431      8.436384 
1 1 1 -6  1   49 o 65.947  4.2138  534.418    67.075   541.914    91.959   525.896    98.049   66.041  5.7975  64.910  6.3050  1.130890       8.565222 
1 1 1 -6  1   50 f 50.095  4.7528  310.895    57.080   349.622    78.080   266.440    83.655   52.785  6.2154  45.512  7.8595  7.272976       10.02014 
1 1 1 -6  1   51 o 34.801  8.9327  159.636    75.810   233.942    199.774  147.136    81.939   42.550  15.246  33.458  9.5953  9.092079       18.01381 
1 1 1 -6  1   52 o 51.054  7.6524  334.392    91.875   431.751    222.354  314.347    100.891  54.477  15.860  49.059  8.7988  5.417355       18.13711 
1 1 1 -6  1   53 o 29.402  7.0046  112.406    49.259   73.226     71.358   148.071    68.082   25.469  9.1131  33.532  8.3887  -8.063004      12.38623 
1 1 1 -6  1   54 f 50.139  4.9020  312.600    58.874   232.568    82.914   393.981    83.610   42.154  8.4013  55.948  6.2666  -13.79419      10.48105 
1 1 1 -6  1   55 o 12.796  5.8135  -22.4370   39.334   -66.2688   56.139   19.833     55.130   13.434  6.3769  18.847  7.6716  -5.412313      9.975908 
1 1 1 -6  1   56 o 17.932  6.9008  27.805     42.325   15.730     61.030   38.994     58.747   19.264  7.9806  21.038  8.1205  -1.774269      11.38563 
1 1 1 -6  1   57 o 43.545  5.7117  239.182    58.894   247.353    77.309   227.883    90.911   43.706  7.5638  41.333  9.2907  2.372883       11.98028 
1 1 1 -6  2   1  o 248.488 7.7289  7502.37    465.999  7290.00    642.941  7737.40    676.373  244.769 10.826  252.153 11.055  -7.383377      15.47274 
1 1 1 -6  2   2  o 514.513 14.420  32285.95   1800.18  31638.20   2528.16  32952.14   2563.91  507.963 20.512  518.438 20.382  -10.47525      28.91640 
1 1 1 -6  2   3  o 240.279 5.3137  7009.28    309.795  7171.15    437.891  6847.07    438.342  242.955 7.4281  237.394 7.6099  5.561569       10.63424 
1 1 1 -6  2   4  o 102.094 3.3912  1264.90    84.008   1264.37    118.835  1265.43    118.776  102.058 4.7988  102.101 4.7944  -0.4271698E-01 6.783430 
1 1 1 -6  2   5  o 223.625 5.8019  6071.89    314.816  5901.62    534.948  6162.10    389.384  220.293 10.008  225.234 7.1249  -4.941467      12.28512 
1 1 1 -6  2   6  o 489.164 9.6939  29091.49   1150.58  29717.18   1627.02  28465.57   1627.31  493.892 13.577  483.335 13.876  10.55737       19.41304 
1 1 1 -6  2   7  o 268.543 5.8665  8755.61    382.261  8872.37    540.522  8638.77    540.676  270.230 8.2436  266.644 8.3568  3.586670       11.73853 
1 1 1 -6  2   8  o 496.455 9.8816  29961.30   1190.34  29208.57   1683.53  30713.81   1683.28  489.663 14.170  502.172 13.815  -12.50952      19.78944 
1 1 1 -6  2   9  o 379.184 7.7784  17463.98   715.659  17361.12   1012.28  17566.76   1011.91  377.842 11.042  380.078 10.972  -2.236694      15.56629 
1 1 1 -6  2   10 o 124.520 5.2638  1882.06    159.037  1902.45    240.353  1866.17    212.109  124.898 7.9726  123.764 7.0927  1.133339       10.67099 
1 1 1 -6  2   11 o 830.868 22.862  84532.48   4609.10  86011.41   6538.59  83071.79   6498.10  834.281 32.300  819.728 32.670  14.55286       45.94192 
1 1 1 -6  2   12 o 285.140 8.5971  9876.50    594.806  10327.86   860.773  9464.00    822.871  291.396 12.174  278.944 12.158  12.45178       17.20525 
1 1 1 -6  2   13 o 824.803 23.057  83275.35   4614.36  80219.33   6546.88  86292.14   6504.72  805.557 33.495  836.144 32.061  -30.58636      46.36617 
1 1 1 -6  2   14 o 485.443 9.6344  28634.15   1134.83  28699.21   1605.36  28569.17   1604.42  485.618 13.624  484.514 13.647  1.104065       19.28390 
1 1 1 -6  2   15 o 627.737 12.361  47929.18   1882.80  48509.79   2663.28  47349.09   2662.09  630.737 17.402  623.108 17.607  7.628845       24.75597 
1 1 1 -6  2   16 o 313.875 6.5362  11960.89   497.789  11573.73   704.692  12346.50   703.271  308.633 9.4101  318.786 9.0920  -10.15305      13.08488 
1 1 1 -6  2   17 o 711.620 13.880  61646.01   2396.67  61444.05   3390.52  61847.71   3388.27  709.234 19.702  711.579 19.624  -2.345032      27.80793 
1 1 1 -6  2   18 o 860.263 16.874  90262.34   3522.25  90561.59   4982.56  89963.41   4979.87  859.400 23.894  856.532 23.961  2.868408       33.83901 
1 1 1 -6  2   19 o 412.031 8.5147  20626.96   851.266  20624.93   1205.38  20628.97   1202.37  411.704 12.066  411.748 12.035  -0.4351807E-01 17.04214 
1 1 1 -6  2   20 o 443.311 9.0195  23887.03   970.186  23941.10   1373.68  23833.22   1370.42  443.397 12.768  442.397 12.767  0.9998474      18.05590 
1 1 1 -6  2   21 o 714.209 14.033  62215.46   2431.79  62333.39   3441.04  62097.80   3437.10  712.977 19.891  711.623 19.906  1.354370       28.14031 
1 1 1 -6  2   22 o 86.935  4.1466  917.444    87.468   880.902    110.305  979.341    143.562  85.000  5.3760  89.533  6.6559  -4.532806      8.555838 
1 1 1 -6  2   23 f 310.430 6.6203  11712.93   498.664  11730.41   707.187  11695.65   703.264  310.371 9.3905  309.915 9.3521  0.4555664      13.25309 
1 1 1 -6  2   24 o 235.407 5.3772  6733.23    307.141  6560.25    435.972  6903.68    432.771  232.178 7.7388  238.201 7.4877  -6.023178      10.76824 
1 1 1 -6  2   25 o 233.038 5.3830  6600.02    304.377  6531.04    432.483  6667.73    428.454  231.607 7.6958  234.034 7.5450  -2.427185      10.77741 
1 1 1 -6  2   26 o 115.603 5.1807  1624.16    145.318  1264.13    191.521  2112.68    223.097  101.577 7.8310  131.568 7.0138  -29.99011      10.51274 
1 1 1 -6  2   27 o 147.322 5.8504  2638.90    209.129  2794.58    279.687  2441.49    314.950  151.297 7.6434  141.176 9.2453  10.12143       11.99575 
1 1 1 -6  2   28 o 184.006 6.6450  4119.22    296.681  4602.94    401.416  3536.89    440.433  194.336 8.5129  169.788 10.746  24.54724       13.70950 
1 1 1 -6  2   29 o 138.253 4.0245  2321.32    135.006  2319.54    192.097  2323.06    189.778  138.127 5.7316  138.235 5.6580  -0.1082458     8.053866 
1 1 1 -6  2   30 o 182.875 4.6013  4062.99    204.172  4020.11    290.560  4104.81    286.959  181.775 6.5877  183.692 6.4382  -1.916504      9.211342 
1 1 1 -6  2   31 o 168.750 4.4444  3459.44    181.977  3527.69    259.028  3392.92    255.714  170.293 6.2688  167.006 6.3105  3.287399       8.894934 
1 1 1 -6  2   32 o 349.909 7.4156  14913.03   629.601  15520.14   893.271  14313.68   887.536  356.297 10.333  342.075 10.693  14.22147       14.86949 
1 1 1 -6  2   33 o 201.564 5.9657  4942.80    291.767  4854.28    541.288  4979.06    346.398  198.730 11.272  202.189 7.0608  -3.459030      13.30070 
1 1 1 -6  2   34 o 136.194 6.1645  2257.90    203.714  2077.37    327.857  2371.43    259.994  129.814 10.499  139.233 7.7262  -9.419083      13.03521 
1 1 1 -6  2   35 o 150.927 6.3088  2774.80    231.036  2880.02    367.650  2706.13    297.008  152.986 9.9584  148.606 8.2697  4.379868       12.94445 
1 1 1 -6  2   36 o 99.231  4.5175  1197.63    108.771  1137.22    137.589  1298.29    177.615  96.431  5.9088  102.878 7.1599  -6.446587      9.283229 
1 1 1 -6  2   37 o 88.768  5.5689  964.109    119.339  964.109    119.339  0.0000     0.0000   88.768  5.5689  ?       ?       0.000000       5.568872 
1 1 1 -6  2   38 o 199.621 7.1936  4879.02    348.433  4879.02    348.433  0.0000     0.0000   199.621 7.1936  ?       ?       0.000000       7.193650 
1 1 1 -6  2   39 o 167.074 4.4608  3400.65    180.834  3300.73    257.849  3497.35    253.678  164.223 6.4709  169.109 6.1824  -4.884949      8.949545 
1 1 1 -6  2   40 o 17.618  6.3671  31.619     34.928   12.382     49.276   51.043     49.516   17.549  7.2105  21.662  7.6076  -4.113173      10.48176 
1 1 1 -6  2   41 o 147.722 4.3928  2661.39    157.452  2773.97    225.382  2554.06    220.055  150.430 6.1748  144.317 6.2842  6.112610       8.810167 
1 1 1 -6  2   42 o 60.295  4.0659  445.226    59.137   450.879    84.277   439.743    83.003   60.385  5.8242  59.630  5.8106  0.7551422      8.227012 
1 1 1 -6  2   43 o 105.277 4.3084  1352.59    110.056  1416.00    172.450  1309.03    142.952  107.078 6.6706  103.179 5.7325  3.898811       8.795360 
1 1 1 -6  2   44 o 53.033  4.2477  345.441    54.200   360.536    76.903   330.543    76.401   53.872  5.9844  51.500  6.2414  2.371517       8.646884 
1 1 1 -6  2   45 o 64.988  5.2421  520.684    81.959   518.916    100.298  524.236    142.186  64.607  6.4856  64.109  9.4216  0.4972382      11.43807 
1 1 1 -6  2   46 o 77.396  9.1255  759.481    168.076  0.0000     0.0000   759.481    168.076  ?       ?       77.396  9.1255  0.000000       9.125456 
1 1 1 -6  2   47 o 80.677  5.7037  804.516    110.933  0.0000     0.0000   804.516    110.933  ?       ?       80.677  5.7037  0.000000       5.703692 
1 1 1 -6  2   48 o 79.188  4.1030  768.888    78.565   709.541    108.559  834.155    113.844  75.611  5.9656  82.081  5.7525  -6.469238      8.287351 
1 1 1 -6  2   49 o 80.372  4.1559  792.888    80.769   780.628    111.386  806.483    117.291  79.304  5.8294  80.546  6.0456  -1.241219      8.398270 
1 1 1 -6  2   50 o 31.668  8.4273  131.104    65.893   502.408    201.035  86.412     69.746   59.989  14.057  26.777  9.0426  33.21145       16.71430 
1 1 1 -6  2   51 o 28.203  8.6550  101.783    64.893   -292.9298  185.480  156.836    69.270   22.094  10.759  34.549  8.3549  -12.45504      13.62241 
1 1 1 -6  2   52 o 36.296  6.1168  167.871    51.954   193.130    74.099   143.445    72.865   38.395  8.2028  32.972  8.9005  5.423401       12.10391 
1 1 1 -6  2   53 o 20.598  7.2038  48.051     44.377   13.546     64.737   78.639     60.951   19.579  8.1741  25.380  8.4530  -5.801517      11.75881 
1 1 1 -6  2   54 o 30.682  6.9811  122.274    50.803   188.853    72.324   57.426     71.377   37.990  8.0938  23.989  9.0248  14.00063       12.12254 
1 1 1 -6  2   55 o 50.108  5.0239  312.618    60.259   328.369    84.319   296.177    86.148   50.769  7.0338  47.962  7.6603  2.806984       10.39975 
1 1 1 -6  2   56 o 15.760  6.7800  -1.5321    46.829   -9.8492    58.780   12.918     77.479   17.026  7.4564  21.068  8.8782  -4.042706      11.59395 
1 1 1 -6  2   57 o 41.671  6.0700  220.705    59.571   172.234    76.189   296.945    95.553   35.949  8.8045  47.525  8.6029  -11.57604      12.30971 
1 1 1 -6  3   1  o 460.182 13.006  25798.87   1452.23  25309.53   2036.86  26304.81   2071.11  454.840 18.456  463.707 18.408  -8.867035      26.06649 
1 1 1 -6  3   2  o 449.362 9.0108  24546.87   982.479  24548.52   1388.74  24545.21   1390.14  448.928 12.749  448.896 12.763  0.3228760E-01  18.03965 
1 1 1 -6  3   3  o 342.443 7.0695  14244.27   587.407  13870.37   830.059  14619.37   831.380  337.703 10.130  346.722 9.8822  -9.019012      14.15187 
1 1 1 -6  3   4  o 320.147 6.7063  12447.74   520.947  12540.59   736.472  12354.76   736.990  321.171 9.4505  318.777 9.5282  2.394043       13.42009 
1 1 1 -6  3   5  o 363.177 7.4061  16021.75   652.633  15742.54   923.044  16300.87   922.882  359.767 10.574  366.107 10.389  -6.340240      14.82364 
1 1 1 -6  3   6  o 247.978 5.5450  7465.34    333.637  7243.58    471.927  7686.92    471.742  244.180 7.9653  251.552 7.7288  -7.371719      11.09865 
1 1 1 -6  3   7  o 313.434 6.6036  11929.37   502.214  11992.15   710.291  11866.61   710.186  314.117 9.3192  312.466 9.3671  1.651367       13.21329 
1 1 1 -6  3   8  o 111.578 3.5400  1510.77    95.840   1552.05    135.494  1469.44    135.584  113.079 4.9383  110.027 5.0786  3.051888       7.083687 
1 1 1 -6  3   9  o 84.397  4.7357  867.246    96.587   878.708    150.057  859.138    126.207  84.742  7.3712  83.890  6.2450  0.8523788      9.661036 
1 1 1 -6  3   10 o 528.519 14.766  34021.92   1893.61  34822.65   2697.28  33243.72   2659.06  533.670 20.830  521.394 21.018  12.27588       29.59159 
1 1 1 -6  3   11 o 352.311 10.301  15086.55   880.578  15255.95   1264.68  14927.14   1226.83  353.943 14.726  350.134 14.441  3.809662       20.62490 
1 1 1 -6  3   12 o 365.755 10.706  16261.62   950.156  16044.97   1363.47  16466.15   1324.81  362.925 15.483  367.717 14.848  -4.792633      21.45238 
1 1 1 -6  3   13 o 920.037 17.883  103245.60  3992.08  103566.50  5645.96  102924.90  5645.35  919.000 25.320  916.120 25.397  2.880615       35.86184 
1 1 1 -6  3   14 o 577.616 11.211  40562.75   1571.32  40786.23   2222.53  40339.41   2221.83  578.600 15.831  575.409 15.914  3.190735       22.44688 
1 1 1 -6  3   15 o 529.434 10.388  34068.39   1334.45  33400.59   1887.58  34735.66   1886.81  523.720 14.854  534.123 14.559  -10.40356      20.79894 
1 1 1 -6  3   16 o 523.813 10.359  33350.27   1316.56  32775.85   1862.43  33924.05   1861.38  518.779 14.796  527.823 14.534  -9.043884      20.73993 
1 1 1 -6  3   17 o 595.435 11.848  43123.99   1711.82  43193.60   2421.59  43054.46   2420.17  595.150 16.769  594.188 16.786  0.9625244      23.72733 
1 1 1 -6  3   18 o 333.172 6.8534  13479.51   554.037  12949.73   784.377  14007.00   782.680  326.395 9.9042  339.484 9.5017  -13.08887      13.72497 
1 1 1 -6  3   19 o 788.160 15.400  75755.74   2945.09  75289.30   4166.26  76221.63   4163.71  783.656 21.911  788.549 21.761  -4.892944      30.88107 
1 1 1 -6  3   20 o 192.085 4.6537  4478.79    216.899  4522.52    307.946  4435.74    305.551  192.968 6.5770  191.107 6.5894  1.860840       9.309992 
1 1 1 -6  3   21 f 417.098 8.3482  21151.75   844.883  20946.98   1196.47  21355.40   1193.22  414.614 11.893  418.659 11.746  -4.044861      16.71582 
1 1 1 -6  3   22 o 276.663 5.9285  9298.80    397.976  9245.55    564.544  9351.41    561.118  275.676 8.4398  277.259 8.3407  -1.582611      11.86587 
1 1 1 -6  3   23 o 125.616 3.9218  1915.78    119.534  1904.61    170.104  1926.68    168.007  125.201 5.5994  125.928 5.4985  -0.7267914     7.847717 
1 1 1 -6  3   24 o 183.394 4.6265  4085.42    205.876  4153.31    292.844  4019.06    289.489  184.800 6.5309  181.786 6.5631  3.013443       9.258834 
1 1 1 -6  3   25 o 254.392 8.1220  7884.26    501.335  8317.47    689.464  7398.22    730.286  260.852 10.893  245.772 12.246  15.07967       16.38984 
1 1 1 -6  3   26 o 261.319 8.2472  8321.38    522.929  8571.10    719.932  8042.48    760.828  264.718 11.208  256.226 12.238  8.492523       16.59487 
1 1 1 -6  3   27 o 157.822 6.0122  3028.81    230.231  3111.31    308.253  2924.72    346.239  159.819 7.9490  154.568 9.2748  5.251465       12.21512 
1 1 1 -6  3   28 o 202.202 4.9636  4968.06    243.527  5209.25    346.366  4732.26    342.467  206.900 6.8994  197.178 7.1581  9.722610       9.941816 
1 1 1 -6  3   29 o 341.228 7.0335  14171.58   582.347  14256.52   825.969  14087.62   821.178  341.698 9.9622  339.668 9.9636  2.030457       14.08973 
1 1 1 -6  3   30 o 145.045 4.1578  2555.31    146.329  2542.12    208.439  2568.13    205.475  144.583 5.9415  145.327 5.8271  -0.7443390     8.322026 
1 1 1 -6  3   31 o 182.538 4.6321  4048.53    205.163  4126.79    292.694  3972.95    287.659  184.155 6.5504  180.689 6.5612  3.466064       9.271290 
1 1 1 -6  3   32 o 216.426 5.2991  5694.75    278.276  5708.04    396.380  5681.85    390.764  216.441 7.5476  215.955 7.4574  0.4861298      10.61030 
1 1 1 -6  3   33 o 110.907 5.8863  1500.79    157.835  1418.16    264.461  1546.51    196.709  107.162 10.298  112.426 7.2496  -5.264206      12.59360 
1 1 1 -6  3   34 o 80.531  5.8911  793.591    114.314  825.429    205.803  779.384    137.471  81.368  10.682  79.634  7.1922  1.733627       12.87773 
1 1 1 -6  3   35 o 287.812 8.9121  10140.51   622.375  11003.89   921.580  9416.57    843.886  298.428 12.727  276.117 12.596  22.31079       17.90623 
1 1 1 -6  3   36 o 52.618  4.3338  339.035    54.839   362.396    78.728   317.016    76.432   54.179  6.0945  50.585  6.3684  3.594707       8.814684 
1 1 1 -6  3   37 o 265.019 8.6542  8626.63    556.501  8626.63    556.501  0.0000     0.0000   265.019 8.6542  ?       ?       0.000000       8.654168 
1 1 1 -6  3   38 o 204.709 9.5108  5174.39    472.410  5174.39    472.410  0.0000     0.0000   204.709 9.5108  ?       ?       0.000000       9.510842 
1 1 1 -6  3   39 o 47.007  4.4720  271.702    50.391   299.744    72.478   245.463    70.109   49.108  6.2222  44.263  6.7408  4.845322       9.173523 
1 1 1 -6  3   40 o 72.540  3.9377  642.836    69.048   679.105    98.509   607.807    96.811   74.325  5.5014  70.253  5.7292  4.072227       7.942834 
1 1 1 -6  3   41 o 83.455  3.9168  848.724    79.314   820.995    113.039  875.613    111.314  81.678  5.7402  84.419  5.4636  -2.740639      7.924686 
1 1 1 -6  3   42 o 134.417 4.2070  2204.15    137.213  2193.38    196.220  2214.47    191.947  133.696 6.0487  134.377 5.8870  -0.6812744     8.440562 
1 1 1 -6  3   43 o 15.950  6.2470  18.658     35.158   94.375     49.189   -60.4306   50.272   27.189  7.3016  12.760  6.0504  14.42875       9.482654 
1 1 1 -6  3   44 o 16.971  6.0660  30.233     31.609   60.250     42.130   -8.4232    47.810   22.219  6.9995  15.506  6.7596  6.712902       9.730574 
1 1 1 -6  3   45 o 72.837  9.3030  674.106    160.659  0.0000     0.0000   674.106    160.659  ?       ?       72.837  9.3030  0.000000       9.302958 
1 1 1 -6  3   46 o 77.624  9.2494  766.164    170.779  0.0000     0.0000   766.164    170.779  ?       ?       77.624  9.2494  0.000000       9.249363 
1 1 1 -6  3   47 o 97.330  4.0793  1158.05    96.338   1262.73    136.936  1055.47    135.560  101.148 5.6013  92.302  6.0870  8.845543       8.272005 
1 1 1 -6  3   48 o 22.053  6.8020  60.439     40.023   82.016     52.065   29.269     62.577   25.502  7.7379  20.699  8.2621  4.803675       11.31978 
1 1 1 -6  3   49 o 42.914  4.9262  229.287    50.366   230.224    66.980   228.069    76.403   42.554  6.7092  42.047  7.7752  0.5072021      10.26969 
1 1 1 -6  3   50 o 33.190  8.7257  144.838    71.200   -48.7735   192.180  175.641    76.655   29.104  13.070  36.513  8.7636  -7.409611      15.73624 
1 1 1 -6  3   51 o 20.713  8.1368  34.105     59.801   -63.7483   185.645  45.435     63.169   27.998  12.684  22.127  8.4507  5.870823       15.24168 
1 1 1 -6  3   52 o 35.480  5.4524  159.107    45.437   86.542     59.665   259.287    70.105   26.227  8.3370  45.152  6.5933  -18.92560      10.62907 
1 1 1 -6  3   53 o 71.906  4.4492  637.836    77.246   670.628    107.967  603.447    110.565  73.205  6.1349  69.225  6.6648  3.979668       9.058528 
1 1 1 -6  3   54 o 10.025  4.8904  -70.2975   38.780   -75.1520   56.237   -65.8960   53.549   13.059  6.2496  13.003  6.1885  0.5543900E-01  8.795145 
1 1 1 -6  3   55 o 65.201  4.6242  525.752    72.681   567.951    101.033  480.491    104.635  67.262  6.2625  61.505  7.1445  5.757183       9.500644 
1 1 1 -6  3   56 o 23.047  7.8633  63.172     52.746   -6.1346    65.320   193.059    89.422   18.202  7.9183  37.902  9.6869  -19.69968      12.51142 
1 1 1 -6  4   1  o 102.088 3.3966  1264.73    84.137   1349.10    118.601  1179.26    119.377  105.425 4.6364  98.434  5.0148  6.991165       6.829675 
1 1 1 -6  4   2  o 220.475 5.1149  5900.91    273.628  5947.94    386.635  5853.71    387.301  221.285 7.2009  219.523 7.2712  1.762268       10.23340 
1 1 1 -6  4   3  o 55.795  3.1699  378.989    42.738   345.770    60.221   412.696    60.661   53.163  4.7175  58.151  4.3303  -4.987518      6.403575 
1 1 1 -6  4   4  o 57.393  3.0857  400.860    42.813   398.333    60.319   403.426    60.778   57.120  4.3856  57.485  4.3906  -0.3653870     6.205722 
1 1 1 -6  4   5  o 327.162 6.9253  12999.01   549.749  13261.66   777.200  12736.01   777.724  330.287 9.6979  323.661 9.9031  6.626068       13.86076 
1 1 1 -6  4   6  o 165.864 4.1655  3338.84    167.641  3441.66    237.183  3236.19    236.977  168.370 5.8057  163.264 5.9821  5.106827       8.336138 
1 1 1 -6  4   7  o 176.192 4.3919  3767.65    187.761  3582.85    265.645  3952.13    265.423  171.780 6.3733  180.423 6.0629  -8.642365      8.796487 
1 1 1 -6  4   8  o 414.784 11.666  20926.44   1174.13  22575.38   1679.95  19351.85   1641.65  430.319 16.090  398.302 16.986  32.01648       23.39687 
1 1 1 -6  4   9  o 455.007 12.798  25192.12   1412.94  26249.09   2017.91  24175.48   1979.05  463.789 17.932  445.035 18.327  18.75381       25.64036 
1 1 1 -6  4   10 o 286.431 8.7326  9966.79    606.915  9835.92    877.443  10086.83   840.371  284.330 12.718  287.977 12.027  -3.647095      17.50429 
1 1 1 -6  4   11 o 137.123 5.3791  2282.30    178.973  2753.12    269.926  1912.93    239.083  150.571 7.3882  125.253 7.9074  25.31815       10.82183 
1 1 1 -6  4   12 o 238.417 5.2817  6899.42    305.546  6983.17    432.396  6815.89    431.818  239.804 7.4312  236.912 7.5119  2.892120       10.56656 
1 1 1 -6  4   13 o 268.037 5.9983  8721.38    390.109  8992.54    551.959  8450.73    551.438  272.094 8.3603  263.760 8.6164  8.333832       12.00570 
1 1 1 -6  4   14 o 207.085 4.9247  5204.88    247.455  5468.54    350.194  4941.93    349.716  212.226 6.8006  201.741 7.1443  10.48524       9.863495 
1 1 1 -6  4   15 o 518.774 10.247  32710.01   1289.89  32891.48   1824.49  32528.67   1823.86  519.742 14.467  516.858 14.543  2.884216       20.51356 
1 1 1 -6  4   16 o 420.917 8.4919  21522.50   867.294  21636.91   1226.95  21408.25   1226.12  421.761 11.989  419.521 12.045  2.239563       16.99513 
1 1 1 -6  4   17 o 294.597 6.1721  10536.82   441.193  10449.91   624.281  10623.55   623.601  293.269 8.7730  295.700 8.6914  -2.430450      12.34938 
1 1 1 -6  4   18 o 306.002 6.4936  11370.26   482.138  11284.84   682.339  11455.44   681.354  304.711 9.2289  307.011 9.1465  -2.299469      12.99347 
1 1 1 -6  4   19 o 312.279 6.6291  11843.55   502.302  11545.70   710.968  12140.39   709.757  308.155 9.5086  316.009 9.2565  -7.854553      13.27012 
1 1 1 -6  4   20 o 252.524 5.6289  7743.47    344.899  7456.77    488.468  8028.51    487.057  247.682 8.1279  257.021 7.8099  -9.338745      11.27197 
1 1 1 -6  4   21 o 302.642 6.4113  11128.46   470.805  10982.60   666.970  11273.32   664.673  300.421 9.1498  304.387 8.9995  -3.965271      12.83394 
1 1 1 -6  4   22 o 100.499 3.7713  1226.13    91.963   1286.49    130.223  1166.07    129.888  102.779 5.2392  97.818  5.4948  4.961540       7.592188 
1 1 1 -6  4   23 o 124.863 3.8945  1893.05    117.992  1883.27    167.891  1902.59    165.859  124.487 5.5583  125.128 5.4629  -0.6405029     7.793401 
1 1 1 -6  4   24 o 98.897  3.7288  1187.60    89.478   1256.81    128.127  1121.72    125.012  101.562 5.2169  95.918  5.3933  5.643768       7.503552 
1 1 1 -6  4   25 o 348.857 10.453  14870.58   884.848  15538.11   1230.15  14154.95   1273.71  355.515 14.261  338.922 15.488  16.59229       21.05363 
1 1 1 -6  4   26 o 291.527 8.9253  10363.73   631.343  10417.30   871.920  10304.69   915.373  291.605 12.323  289.863 13.015  1.742523       17.92332 
1 1 1 -6  4   27 o 332.017 10.151  13462.17   817.773  14597.68   1134.62  12234.63   1179.71  344.849 13.560  315.166 15.427  29.68338       20.53905 
1 1 1 -6  4   28 o 94.127  3.7520  1075.86    85.691   1009.59    122.205  1139.96    120.192  90.962  5.5636  96.716  5.1402  -5.753143      7.574612 
1 1 1 -6  4   29 o 448.038 12.130  24591.98   1318.67  22699.38   2265.18  25562.17   1621.81  425.230 22.030  455.772 14.665  -30.54242      26.46460 
1 1 1 -6  4   30 o 220.323 5.3067  5900.65    283.690  6050.18    402.903  5753.63    399.515  222.886 7.4500  217.341 7.5758  5.545090       10.62518 
1 1 1 -6  4   31 o 111.853 3.9389  1519.58    106.902  1489.98    153.599  1547.39    148.876  110.538 5.7466  112.813 5.4388  -2.274704      7.912264 
1 1 1 -6  4   32 o 213.968 6.0932  5570.97    316.344  5364.55    582.951  5657.13    376.622  208.852 11.548  215.489 7.2031  -6.636810      13.61060 
1 1 1 -6  4   33 o 224.709 7.5166  6157.41    409.832  6724.72    618.953  5714.51    546.892  234.176 10.893  215.966 10.436  18.21027       15.08569 
1 1 1 -6  4   34 o 85.122  5.9111  886.505    121.330  953.195    220.137  857.408    145.409  87.508  10.583  83.526  7.2465  3.981453       12.82606 
1 1 1 -6  4   35 o 324.842 7.9685  12906.01   628.078  13134.81   776.878  12474.26   1067.17  327.039 9.7902  316.776 13.884  10.26294       16.98868 
1 1 1 -6  4   36 o 321.241 9.8985  12709.02   771.549  12709.02   771.549  0.0000     0.0000   321.241 9.8985  ?       ?       0.000000       9.898491 
1 1 1 -6  4   37 o 186.992 6.7955  4278.17    308.324  4278.17    308.324  0.0000     0.0000   186.992 6.7955  ?       ?       0.000000       6.795495 
1 1 1 -6  4   38 o 118.220 4.0736  1701.66    116.850  1738.32    166.781  1666.31    163.762  119.273 5.7629  116.774 5.7797  2.498871       8.161839 
1 1 1 -6  4   39 o 84.053  3.9111  860.376    79.764   890.999    113.956  830.959    111.687  85.197  5.5426  82.248  5.6303  2.948380       7.900694 
1 1 1 -6  4   40 o 74.936  3.9565  686.133    71.685   660.184    101.567  711.890    101.190  73.208  5.7645  76.084  5.5188  -2.876038      7.980410 
1 1 1 -6  4   41 o 63.804  4.5485  499.480    69.957   502.525    89.929   494.812    111.330  63.762  5.8789  62.920  7.4360  0.8419189      9.479214 
1 1 1 -6  4   42 o 93.240  3.9761  1060.12    89.954   1100.95    128.707  1021.14    125.773  94.613  5.6319  91.088  5.7197  3.525734       8.027024 
1 1 1 -6  4   43 o 85.827  3.9240  898.359    81.717   899.185    116.315  897.554    114.831  85.448  5.6418  85.386  5.5731  0.6243896E-01  7.930298 
1 1 1 -6  4   44 o 175.955 10.362  3914.84    440.421  0.0000     0.0000   3914.84    440.421  ?       ?       175.955 10.362  0.000000       10.36153 
1 1 1 -6  4   45 o 79.561  9.4905  805.263    179.596  0.0000     0.0000   805.263    179.596  ?       ?       79.561  9.4905  0.000000       9.490530 
1 1 1 -6  4   46 o 56.933  4.1879  398.370    57.446   397.270    80.282   399.524    82.236   56.489  5.9465  56.618  6.0814  -0.1290474     8.505578 
1 1 1 -6  4   47 o 32.173  5.7925  131.357    43.557   123.645    57.239   141.965    67.136   30.889  7.6717  33.022  8.3683  -2.132814      11.35270 
1 1 1 -6  4   48 o 54.401  4.4512  365.207    58.241   374.839    78.637   353.503    86.681   54.744  6.0195  52.889  6.9205  1.854473       9.172108 
1 1 1 -6  4   49 o 35.670  8.2220  166.485    69.703   267.166    201.255  152.762    74.301   44.598  15.355  34.075  8.8922  10.52251       17.74435 
1 1 1 -6  4   50 o 35.775  8.9849  169.318    77.887   84.397     200.664  184.381    84.513   34.794  14.447  37.258  9.3603  -2.464409      17.21459 
1 1 1 -6  4   51 o 23.522  6.6820  70.943     39.927   55.214     49.510   100.198    67.523   21.908  7.6120  28.070  8.8633  -6.161507      11.68334 
1 1 1 -6  4   52 o 36.423  5.4293  167.472    46.517   168.408    59.254   165.969    75.093   36.102  7.0172  35.416  8.7818  0.6858826      11.24104 
1 1 1 -6  4   53 o 40.141  5.4248  202.649    51.484   163.758    68.092   254.558    78.666   35.322  8.1153  44.425  7.5692  -9.102451      11.09739 
1 1 1 -6  4   54 o 23.481  7.4641  68.626     47.824   104.608    68.389   34.190     66.904   28.577  8.9043  21.496  8.5548  7.081068       12.34787 
1 1 1 -6  4   55 o 26.560  7.9698  90.770     55.458   41.026     69.019   181.401    93.161   22.268  8.7435  36.738  10.126  -14.46922      13.37824 
1 1 1 -6  4   56 o 18.289  7.3406  22.339     49.692   18.367     60.165   30.862     88.141   19.299  7.9530  23.358  9.6259  -4.058872      12.48631 
1 1 1 -6  5   1  o 367.867 7.4930  16438.71   668.820  16418.48   944.771  16459.04   946.940  367.406 10.598  367.859 10.609  -0.4524536     14.99552 
1 1 1 -6  5   2  o 132.828 3.7768  2141.18    121.726  2133.41    171.740  2149.02    172.555  132.566 5.3392  133.050 5.3450  -0.4839020     7.554894 
1 1 1 -6  5   3  o 163.302 4.1860  3236.55    165.863  3224.74    234.285  3248.43    234.848  162.972 5.9247  163.570 5.9172  -0.5976715     8.373533 
1 1 1 -6  5   4  o 216.887 5.0280  5709.97    264.602  5602.55    373.761  5817.90    374.647  214.777 7.1720  218.870 7.0546  -4.092606      10.06008 
1 1 1 -6  5   5  o 332.351 6.9845  13414.10   563.247  13161.56   796.027  13667.32   797.076  329.037 9.9706  335.311 9.7969  -6.274078      13.97824 
1 1 1 -6  5   6  f 273.751 5.8562  9097.87    388.986  9560.31    549.880  8634.65    550.339  280.537 8.0782  266.592 8.5079  13.94550       11.73203 
1 1 1 -6  5   7  o 264.953 7.9686  8526.93    512.290  9623.37    741.703  7526.70    708.418  281.327 10.866  248.753 11.737  32.57350       15.99435 
1 1 1 -6  5   8  o 464.999 12.984  26313.48   1464.92  27973.19   2090.85  24713.16   2053.10  478.760 17.999  449.876 18.808  28.88376       26.03282 
1 1 1 -6  5   9  o 263.278 8.0576  8419.02    514.738  8910.59    746.969  7974.51    710.312  270.701 11.372  256.084 11.431  14.61630       16.12478 
1 1 1 -6  5   10 o 554.621 15.391  37471.99   2071.23  38850.29   2949.81  36131.63   2908.94  563.619 21.570  543.441 22.061  20.17816       30.85327 
1 1 1 -6  5   11 o 357.741 7.4146  15541.02   643.608  15757.17   910.674  15325.32   909.725  360.056 10.424  355.079 10.559  4.976715       14.83739 
1 1 1 -6  5   12 o 568.961 11.214  39357.11   1548.08  40150.32   2189.82  38564.64   2188.81  574.078 15.721  562.580 16.035  11.49762       22.45559 
1 1 1 -6  5   13 o 218.479 5.0997  5793.56    270.343  5548.01    382.776  6037.96    381.870  213.747 7.3804  222.994 7.0576  -9.247208      10.21177 
1 1 1 -6  5   14 o 455.440 9.2093  25201.94   1017.71  25029.10   1439.86  25374.48   1438.64  453.537 13.084  456.665 12.983  -3.128815      18.43270 
1 1 1 -6  5   15 o 258.890 5.8277  8136.33    366.077  7976.46    517.942  8295.92    517.481  256.252 8.3301  261.340 8.1607  -5.087646      11.66134 
1 1 1 -6  5   16 o 643.976 12.560  50463.49   1962.59  49544.98   2775.96  51381.43   2775.10  637.091 17.958  648.864 17.626  -11.77240      25.16268 
1 1 1 -6  5   17 o 114.903 3.7220  1602.22    103.771  1477.24    146.969  1726.48    146.542  110.312 5.4908  119.261 5.0641  -8.949020      7.469543 
1 1 1 -6  5   18 o 513.072 10.239  32014.74   1274.67  31863.50   1803.05  32165.85   1802.25  511.226 14.536  513.659 14.460  -2.432831      20.50321 
1 1 1 -6  5   19 o 51.909  4.0344  329.020    50.414   316.469    72.138   341.001    70.484   50.699  5.9792  52.698  5.5981  -1.999008      8.190780 
1 1 1 -6  5   20 o 130.350 3.9372  2062.47    124.526  2010.43    176.310  2114.27    175.902  128.660 5.6477  131.944 5.4944  -3.284576      7.879365 
1 1 1 -6  5   21 o 277.953 6.0241  9387.35    406.283  9419.96    575.247  9354.89    573.897  278.223 8.5211  277.259 8.5307  0.9635925      12.05746 
1 1 1 -6  5   22 o 123.180 3.8936  1842.28    116.375  1817.33    165.306  1866.80    163.861  122.293 5.5709  123.951 5.4483  -1.657532      7.792231 
1 1 1 -6  5   23 o 164.028 4.5006  3268.14    179.125  2882.84    254.030  3649.17    252.619  153.936 6.8011  173.244 6.0096  -19.30841      9.075817 
1 1 1 -6  5   24 o 283.373 8.7008  9790.28    598.250  9706.27    824.515  9883.68    869.373  281.515 12.071  283.952 12.618  -2.436981      17.46198 
1 1 1 -6  5   25 o 199.092 6.8613  4823.66    331.454  4966.68    448.750  4651.97    491.679  201.780 9.1656  194.852 10.437  6.927750       13.89058 
1 1 1 -6  5   26 o 287.277 8.8433  10062.85   616.421  10139.75   850.103  9977.60    895.141  287.727 12.177  285.244 12.933  2.482941       17.76350 
1 1 1 -6  5   27 o 286.668 6.4598  9996.89    449.329  10244.38   637.241  9752.18    633.668  289.817 9.0618  282.740 9.2366  7.076965       12.93951 
1 1 1 -6  5   28 o 144.113 4.1796  2522.54    146.149  2570.00    207.997  2476.27    205.400  145.379 5.8965  142.701 5.9321  2.677612       8.364126 
1 1 1 -6  5   29 o 286.462 6.2706  9982.48    435.856  10100.79   618.350  9865.65    614.455  287.770 8.8557  284.392 8.9045  3.377777       12.55840 
1 1 1 -6  5   30 o 272.363 5.9908  9023.10    395.909  9376.08    562.510  8676.59    557.327  277.299 8.3602  266.714 8.6119  10.58524       12.00243 
1 1 1 -6  5   31 o 232.798 5.3280  6589.54    300.958  7131.12    428.865  6064.05    422.445  241.940 7.3055  223.040 7.8059  18.90021       10.69123 
1 1 1 -6  5   32 o 219.814 7.5413  5891.00    402.222  5941.17    607.556  5851.85    536.671  219.760 11.433  218.653 10.116  1.107224       15.26586 
1 1 1 -6  5   33 o 210.874 7.3317  5423.82    375.138  5633.39    570.397  5264.07    497.995  213.915 11.027  207.290 9.9011  6.626068       14.81968 
1 1 1 -6  5   34 o 126.754 5.9314  1957.40    182.424  2224.56    300.537  1801.54    229.548  134.412 9.2717  121.164 7.8502  13.24816       12.14865 
1 1 1 -6  5   35 o 104.863 5.7579  1344.43    145.942  1344.43    145.942  0.0000     0.0000   104.863 5.7579  ?       ?       0.000000       5.757850 
1 1 1 -6  5   36 o 73.395  5.6964  661.087    100.650  661.087    100.650  0.0000     0.0000   73.395  5.6964  ?       ?       0.000000       5.696406 
1 1 1 -6  5   37 o 124.483 4.0578  1886.31    122.565  1881.47    175.466  1890.93    171.275  124.101 5.8271  124.436 5.6726  -0.3342972     8.132277 
1 1 1 -6  5   38 o 204.789 5.0918  5119.33    253.010  5336.97    360.517  4908.09    355.165  208.486 7.1266  199.867 7.3236  8.619247       10.21880 
1 1 1 -6  5   39 o 97.497  3.9894  1158.16    94.375   1200.84    135.669  1118.15    131.368  98.902  5.6772  95.420  5.7000  3.481888       8.044920 
1 1 1 -6  5   40 o 88.657  3.9378  957.984    84.709   999.657    121.391  918.429    118.264  90.190  5.5744  86.414  5.6718  3.775558       7.952556 
1 1 1 -6  5   41 o 94.580  3.9537  1090.67    90.732   1134.42    129.862  1048.95    126.821  96.061  5.5957  92.339  5.6880  3.722206       7.979108 
1 1 1 -6  5   42 o 109.966 4.8769  1478.76    130.127  1533.30    155.114  1349.19    239.084  111.662 5.7446  103.452 9.6354  8.209473       11.21788 
1 1 1 -6  5   43 o 126.991 4.2302  1968.97    130.348  1970.52    185.539  1967.46    183.163  126.626 6.0388  126.547 5.9651  0.7886505E-01  8.488203 
1 1 1 -6  5   44 o 67.113  10.071  578.661    158.934  0.0000     0.0000   578.661    158.934  ?       ?       67.113  10.071  0.000000       10.07066 
1 1 1 -6  5   45 o 67.049  5.4142  555.615    87.331   610.919    105.994  438.713    154.102  70.108  6.2981  57.688  11.413  12.41929       13.03579 
1 1 1 -6  5   46 o 52.743  4.6792  343.556    59.261   396.476    88.478   300.501    79.806   56.229  6.6112  48.765  6.9405  7.463802       9.585365 
1 1 1 -6  5   47 o 45.105  5.4072  253.980    57.998   270.010    84.536   239.725    79.719   45.854  7.8823  43.138  7.9077  2.715832       11.16518 
1 1 1 -6  5   48 o 103.027 4.2482  1301.03    106.200  1335.79    147.517  1263.63    153.012  103.753 5.8839  100.742 6.2911  3.011009       8.613904 
1 1 1 -6  5   49 o 88.872  6.5698  988.836    140.667  902.536    282.574  1017.27    162.191  79.896  15.130  89.724  7.5193  -9.827957      16.89560 
1 1 1 -6  5   50 o 87.630  6.6717  963.910    140.793  927.133    283.982  975.895    162.121  80.806  15.037  87.699  7.6965  -6.893379      16.89247 
1 1 1 -6  5   51 o 103.752 4.1957  1321.40    105.625  1245.07    146.908  1403.08    151.973  99.896  6.0899  106.143 5.9244  -6.247025      8.496244 
1 1 1 -6  5   52 o 29.963  6.2983  115.757    44.337   119.289    56.120   109.891    72.321   30.201  7.6498  29.268  9.1628  0.9328423      11.93634 
1 1 1 -6  5   53 o 33.262  5.7464  140.823    44.700   179.518    57.733   82.906     70.631   37.421  6.5996  26.375  9.0959  11.04576       11.23789 
1 1 1 -6  5   54 o 30.069  6.5210  117.021    46.207   88.462     60.347   157.492    71.837   26.451  8.3820  34.501  8.6091  -8.050146      12.01560 
1 1 1 -6  5   55 o 68.367  4.9195  580.175    81.063   527.169    105.049  658.198    127.451  64.481  6.8176  71.852  7.4170  -7.371452      10.07436 
1 1 1 -6  6   1  o 245.465 5.3960  7314.52    321.383  7157.89    453.272  7472.85    455.748  242.744 7.6957  248.032 7.5727  -5.288071      10.79675 
1 1 1 -6  6   2  o 79.203  3.6323  761.269    69.804   561.498    115.167  877.281    87.763   67.621  7.1265  84.912  4.2734  -17.29154      8.309506 
1 1 1 -6  6   3  o 174.200 4.3498  3683.00    183.857  3855.26    259.835  3510.26    260.193  178.195 6.0095  170.029 6.3068  8.166458       8.711450 
1 1 1 -6  6   4  o 413.261 8.3385  20748.83   836.136  20526.13   1182.19  20971.75   1182.76  410.742 11.862  415.189 11.741  -4.446655      16.68962 
1 1 1 -6  6   5  o 284.328 6.0997  9815.01    420.816  9887.94    594.737  9741.90    595.512  285.281 8.5919  283.163 8.6674  2.118103       12.20430 
1 1 1 -6  6   6  o 213.629 6.9483  5541.83    360.169  5750.75    525.281  5356.46    494.796  217.514 9.9527  209.935 9.7136  7.579712       13.90715 
1 1 1 -6  6   7  o 392.378 11.359  18722.72   1081.50  18440.73   1546.85  18992.38   1512.68  388.916 16.392  394.760 15.792  -5.843719      22.76168 
1 1 1 -6  6   8  o 320.780 9.3717  12503.38   729.438  13469.51   1049.57  11600.76   1014.49  332.703 13.001  308.723 13.543  23.98016       18.77364 
1 1 1 -6  6   9  o 524.990 14.833  33566.04   1889.47  32976.32   2691.43  34139.13   2653.21  519.292 21.360  528.498 20.690  -9.205200      29.73793 
1 1 1 -6  6   10 o 547.741 10.697  36470.11   1421.67  37104.86   2010.80  35835.68   2010.29  551.963 15.014  542.404 15.275  9.558655       21.41808 
1 1 1 -6  6   11 o 768.301 14.946  71886.49   2786.34  72187.38   3940.88  71585.73   3940.09  768.452 21.135  765.220 21.220  3.232239       29.95025 
1 1 1 -6  6   12 o 1004.11 19.718  123133.10  4803.99  125706.90  6794.43  120560.30  6793.30  1011.31 27.689  990.112 28.277  21.19342       39.57605 
1 1 1 -6  6   13 o 294.721 6.3058  10545.21   450.937  10400.31   638.304  10689.59   637.140  292.585 8.9911  296.632 8.8522  -4.047485      12.61752 
1 1 1 -6  6   14 o 291.101 6.4509  10288.37   455.647  10906.92   644.574  9670.55    644.190  299.625 8.8661  282.107 9.4110  17.51807       12.92960 
1 1 1 -6  6   15 o 351.765 7.4852  15027.96   638.878  14758.65   903.684  15297.07   903.336  348.407 10.690  354.719 10.495  -6.312103      14.98081 
1 1 1 -6  6   16 o 349.373 7.3093  14824.71   619.624  14226.88   876.311  15422.45   876.249  342.053 10.558  356.167 10.139  -14.11395      14.63856 
1 1 1 -6  6   17 o 232.480 5.4216  6561.38    305.830  6638.39    433.223  6484.87    431.797  233.763 7.6379  231.042 7.7024  2.721481       10.84729 
1 1 1 -6  6   18 o 209.436 4.9153  5324.90    249.785  5174.94    353.674  5474.13    352.828  206.396 7.0622  212.287 6.8498  -5.890747      9.838356 
1 1 1 -6  6   19 o 195.098 4.7306  4621.16    223.940  4652.86    317.086  4589.62    316.313  195.696 6.6778  194.360 6.7073  1.335632       9.464678 
1 1 1 -6  6   20 o 182.625 4.6078  4049.70    204.183  4046.43    289.305  4052.95    288.214  182.473 6.5342  182.621 6.5043  -0.1483765     9.219651 
1 1 1 -6  6   21 o 159.357 4.2291  3083.61    163.525  3076.60    231.534  3090.59    230.986  159.105 5.9975  159.467 5.9697  -0.3624268     8.462055 
1 1 1 -6  6   22 o 344.799 7.2781  14467.88   608.904  14561.59   861.770  14374.46   860.472  345.385 10.283  343.147 10.335  2.237091       14.57894 
1 1 1 -6  6   23 o 261.864 8.3578  8356.92    531.045  8855.71    729.054  7793.16    775.080  269.090 11.166  251.819 12.726  17.27126       16.93043 
1 1 1 -6  6   24 o 11.528  5.4473  -46.9200   40.091   -14.8371   48.103   -119.9001  72.550   15.175  6.6923  14.188  6.8669  0.9862738      9.588555 
1 1 1 -6  6   25 o 180.618 6.5916  3969.04    288.878  4337.58    388.638  3514.01    431.841  188.643 8.4907  169.253 10.568  19.38940       13.55647 
1 1 1 -6  6   26 o 69.879  5.4610  597.177    91.858   744.220    116.288  353.173    149.799  77.980  6.1970  52.676  11.989  25.30404       13.49624 
1 1 1 -6  6   27 f 144.387 4.2181  2532.23    147.780  2553.51    210.100  2511.39    207.902  144.907 5.9755  143.708 5.9623  1.199295       8.441275 
1 1 1 -6  6   28 o 184.651 4.6703  4142.71    209.248  4289.85    297.246  3998.16    294.614  187.770 6.5242  181.259 6.6987  6.510239       9.350797 
1 1 1 -6  6   29 o 220.361 5.3117  5903.04    284.009  5854.62    403.543  5950.57    399.784  219.226 7.5864  221.031 7.4543  -1.804642      10.63577 
1 1 1 -6  6   30 o 143.589 4.3746  2505.03    152.413  2478.57    216.454  2531.04    214.645  142.721 6.2505  144.231 6.1334  -1.510513      8.757100 
1 1 1 -6  6   31 o 286.808 7.3657  10025.20   512.591  10690.40   920.761  9726.46    617.050  294.799 12.872  282.184 9.0120  12.61493       15.71348 
1 1 1 -6  6   32 o 173.140 6.5297  3651.68    274.317  4359.38    423.710  3141.00    359.931  188.790 9.2496  159.979 9.3127  28.81190       13.12565 
1 1 1 -6  6   33 o 197.154 7.1909  4743.08    343.995  4528.61    527.298  4901.99    453.880  191.485 11.401  200.030 9.3515  -8.545074      14.74531 
1 1 1 -6  6   34 o 117.628 5.7661  1686.21    164.571  1686.21    164.571  0.0000     0.0000   117.628 5.7661  ?       ?       0.000000       5.766066 
1 1 1 -6  6   35 o 152.085 6.3887  2824.86    235.758  2824.86    235.758  0.0000     0.0000   152.085 6.3887  ?       ?       0.000000       6.388731 
1 1 1 -6  6   36 o 85.096  3.9575  881.202    81.714   972.692    117.944  796.750    113.317  89.116  5.4811  80.566  5.8362  8.549667       8.006516 
1 1 1 -6  6   37 o 125.783 4.1295  1926.89    126.034  2006.08    180.035  1850.78    176.494  128.103 5.7921  123.025 5.9125  5.078117       8.276828 
1 1 1 -6  6   38 o 60.769  4.1331  452.058    60.580   525.344    85.967   379.764    85.383   65.327  5.4739  55.282  6.4888  10.04540       8.489284 
1 1 1 -6  6   39 o 80.911  3.9430  797.804    77.410   784.867    110.190  810.411    108.771  79.855  5.7249  81.184  5.5551  -1.328896      7.977107 
1 1 1 -6  6   40 o 99.347  3.9672  1203.32    95.632   1189.01    136.066  1217.31    134.439  98.330  5.7277  99.529  5.5895  -1.198792      8.003094 
1 1 1 -6  6   41 o 81.029  4.0348  800.863    79.328   893.325    112.714  710.113    111.666  85.215  5.4803  75.798  6.1239  9.417267       8.218031 
1 1 1 -6  6   42 o 20.313  6.6132  49.143     37.385   105.071    52.742   -7.3318    52.999   28.629  7.5021  16.460  7.1465  12.16825       10.36118 
1 1 1 -6  6   43 o 38.785  11.327  195.561    113.262  0.0000     0.0000   195.561    113.262  ?       ?       38.785  11.327  0.000000       11.32728 
1 1 1 -6  6   44 o 95.624  9.5244  1160.52    218.047  0.0000     0.0000   1160.52    218.047  ?       ?       95.624  9.5244  0.000000       9.524402 
1 1 1 -6  6   45 o 80.983  4.5580  805.635    89.199   772.165    113.840  858.865    143.563  78.922  5.9894  82.873  7.2113  -3.951447      9.374250 
1 1 1 -6  6   46 f 58.155  4.7992  417.780    67.115   479.491    95.831   358.374    94.024   61.901  6.4762  53.124  7.5031  8.776314       9.911534 
1 1 1 -6  6   47 o 63.510  4.7275  498.048    72.330   606.224    102.436  390.484    102.145  69.718  6.1172  55.311  7.8298  14.40695       9.936090 
1 1 1 -6  6   48 o 58.553  6.2245  430.126    87.078   173.709    225.924  474.864    94.369   40.216  15.810  61.491  6.4196  -21.27510      17.06358 
1 1 1 -6  6   49 o 13.327  6.2731  -54.2959   52.227   -192.9361  178.348  -41.2919   54.621   23.652  11.267  14.428  6.6637  9.223741       13.08987 
1 1 1 -6  6   50 o 46.902  5.1612  274.753    57.765   282.527    72.015   260.725    96.735   47.200  6.4574  44.359  9.2854  2.840862       11.31002 
1 1 1 -6  6   51 o 37.901  5.4470  181.158    48.653   186.540    63.563   173.543    75.605   37.993  7.1576  36.219  8.7099  1.774151       11.27353 
1 1 1 -6  6   52 o 66.874  4.3427  551.604    70.084   514.278    94.799   596.593    104.076  64.022  6.1793  68.957  6.2894  -4.934364      8.817070 
1 1 1 -6  6   53 o 38.459  5.4092  186.379    49.082   190.461    63.171   180.160    77.967   38.430  7.0338  36.871  8.8314  1.559364       11.29013 
1 1 1 -6  6   54 o 18.239  6.5428  35.861     36.804   43.336     40.402   -0.5993    89.223   19.598  6.8725  21.543  9.3128  -1.944605      11.57405 
1 1 1 -6  6   55 o 57.491  5.1637  412.666    71.263   313.861    88.938   589.875    119.108  49.196  7.7035  67.924  7.3438  -18.72852      10.64304 
1 1 1 -6  7   1  o 255.095 5.5792  7899.78    345.330  7864.10    487.137  7935.83    489.613  254.437 7.8906  255.594 7.8947  -1.157471      11.16189 
1 1 1 -6  7   2  o 221.694 5.0733  5965.81    272.902  6279.88    385.013  5648.68    386.878  227.402 6.9778  215.658 7.3934  11.74379       10.16618 
1 1 1 -6  7   3  f 333.010 6.9692  13466.88   563.123  13344.73   795.784  13589.39   796.971  331.335 9.8984  334.363 9.8234  -3.028320      13.94547 
1 1 1 -6  7   4  o 444.754 8.8937  24034.55   959.765  24113.71   1357.09  23955.33   1357.53  445.148 12.564  443.679 12.610  1.469147       17.80104 
1 1 1 -6  7   5  o 587.326 16.215  42056.72   2310.75  44033.48   3285.70  40122.24   3250.38  599.584 22.585  572.133 23.414  27.45135       32.53114 
1 1 1 -6  7   6  o 377.800 10.955  17354.46   1004.22  17354.75   1438.08  17354.18   1402.93  377.367 15.706  377.402 15.320  -0.3497314E-01 21.94033 
1 1 1 -6  7   7  o 250.742 7.9569  7636.21    484.097  7092.61    701.690  8129.94    668.731  241.480 11.976  258.605 10.657  -17.12505      16.03111 
1 1 1 -6  7   8  o 285.622 8.7202  9910.53    604.341  9687.84    872.233  10116.15   838.121  282.182 12.739  288.400 11.977  -6.217682      17.48521 
1 1 1 -6  7   9  o 236.094 5.1971  6765.61    297.722  6727.24    421.141  6803.94    420.944  235.368 7.3742  236.707 7.3291  -1.339355      10.39684 
1 1 1 -6  7   10 o 286.684 6.1500  9977.51    427.801  10085.47   605.180  9869.69    604.823  288.139 8.6560  285.036 8.7451  3.102814       12.30461 
1 1 1 -6  7   11 o 233.551 5.3765  6620.83    304.681  6922.78    431.054  6319.36    430.713  238.762 7.4405  228.109 7.7818  10.65318       10.76651 
1 1 1 -6  7   12 o 973.361 19.061  115673.10  4501.87  117622.20  6366.94  113724.40  6366.28  978.507 26.817  961.951 27.275  16.55560       38.25005 
1 1 1 -6  7   13 o 465.743 9.2056  26356.64   1040.30  26291.74   1471.74  26421.45   1470.69  464.812 13.049  465.961 13.008  -1.149719      18.42528 
1 1 1 -6  7   14 o 452.493 9.0992  24879.31   999.030  25440.47   1413.52  24319.22   1412.16  457.224 12.741  447.004 13.020  10.21960       18.21693 
1 1 1 -6  7   15 o 599.285 11.842  43695.66   1722.01  43499.21   2436.03  43891.88   2434.54  597.074 16.815  599.781 16.729  -2.706360      23.71881 
1 1 1 -6  7   16 o 142.344 4.1655  2459.14    143.872  2465.69    201.534  2452.34    205.454  142.507 5.8284  142.118 5.9580  0.3885345      8.334732 
1 1 1 -6  7   17 o 158.274 4.3286  3040.63    166.236  2850.92    233.885  3234.32    236.321  153.216 6.2912  163.202 5.9678  -9.985886      8.671450 
1 1 1 -6  7   18 o 380.104 7.8570  17561.90   724.638  17763.39   1025.80  17361.19   1023.79  381.919 11.069  377.556 11.175  4.362366       15.72972 
1 1 1 -6  7   19 o 22.462  6.3958  62.781     36.535   38.261     53.672   83.954     49.873   20.803  7.8259  26.004  7.4942  -5.201069      10.83548 
1 1 1 -6  7   20 o 367.118 7.5356  16395.20   671.254  16496.59   950.051  16294.12   948.544  367.759 10.647  365.486 10.696  2.272949       15.09172 
1 1 1 -6  7   21 o 223.881 5.3382  6090.71    289.982  6061.75    410.653  6119.51    409.543  223.165 7.5838  224.231 7.5273  -1.066086      10.68523 
1 1 1 -6  7   22 o 271.600 6.0019  8970.07    395.534  8931.99    559.935  9008.00    558.806  270.707 8.5246  271.864 8.4712  -1.157379      12.01793 
1 1 1 -6  7   23 o 241.837 7.8192  7124.53    458.831  7250.02    626.606  6979.46    673.722  243.542 10.604  238.773 11.629  4.768494       15.73738 
1 1 1 -6  7   24 o 138.248 5.6617  2323.64    189.921  2133.91    249.837  2583.36    292.315  132.128 7.8277  145.358 8.3226  -13.22943      11.42534 
1 1 1 -6  7   25 o 65.059  5.3950  518.004    84.397   503.717    104.858  544.282    142.213  63.973  6.8624  66.192  9.0949  -2.218712      11.39343 
1 1 1 -6  7   26 o 140.550 4.1434  2399.32    141.302  2435.03    201.039  2364.45    198.644  141.512 5.8550  139.445 5.8710  2.066742       8.291487 
1 1 1 -6  7   27 o 71.990  3.7893  631.110    65.957   736.011    94.481   531.390    92.118   77.659  5.0413  65.850  5.8254  11.80885       7.703937 
1 1 1 -6  7   28 o 289.199 6.2800  10175.12   440.678  10192.46   625.108  10157.98   621.335  289.038 8.9133  288.556 8.8743  0.4822693      12.57771 
1 1 1 -6  7   29 o 35.815  6.0429  160.321    50.646   117.084    66.294   220.927    78.489   30.567  8.5847  41.881  8.0158  -11.31317      11.74518 
1 1 1 -6  7   30 f 207.780 5.0047  5248.46    252.319  5442.15    359.178  5059.75    354.534  211.372 7.0032  203.791 7.1698  7.580978       10.02256 
1 1 1 -6  7   31 o 120.805 6.1406  1781.22    179.403  1761.98    287.050  1793.56    229.818  119.560 9.9862  120.992 7.8711  -1.431511      12.71528 
1 1 1 -6  7   32 o 214.592 7.3927  5619.41    384.930  6127.95    584.273  5229.41    511.669  223.363 10.781  206.468 10.213  16.89488       14.85042 
1 1 1 -6  7   33 o 102.558 10.222  1305.48    250.986  1305.48    250.986  0.0000     0.0000   102.558 10.222  ?       ?       0.000000       10.22208 
1 1 1 -6  7   34 o 63.000  6.0106  488.536    90.766   488.536    90.766   0.0000     0.0000   63.000  6.0106  ?       ?       0.000000       6.010627 
1 1 1 -6  7   35 o 220.391 7.5332  5954.59    402.843  5954.59    402.843  0.0000     0.0000   220.391 7.5332  ?       ?       0.000000       7.533157 
1 1 1 -6  7   36 o 62.928  4.0743  484.154    61.876   490.807    88.827   477.882    86.243   63.103  5.8687  62.275  5.7731  0.8272362      8.232265 
1 1 1 -6  7   37 o 79.556  3.9494  770.843    76.236   819.525    108.928  724.103    106.734  81.695  5.5277  76.725  5.7757  4.969795       7.994622 
1 1 1 -6  7   38 o 88.885  3.9598  962.723    85.401   984.922    122.736  941.889    118.905  89.521  5.6799  87.546  5.6274  1.974861       7.995545 
1 1 1 -6  7   39 o 123.725 4.1943  1867.23    125.916  1847.21    179.282  1886.72    176.887  122.708 6.0214  124.046 5.8769  -1.338058      8.414001 
1 1 1 -6  7   40 o 97.326  4.0049  1155.25    94.577   1110.43    135.430  1197.92    132.136  94.950  5.9077  98.720  5.5387  -3.770287      8.098026 
1 1 1 -6  7   41 o 79.452  4.8621  774.917    93.281   763.384    109.051  806.368    180.086  78.673  5.7526  79.789  9.4880  -1.115860      11.09567 
1 1 1 -6  7   42 o 116.208 5.8825  1663.29    165.328  0.0000     0.0000   1663.29    165.328  ?       ?       116.208 5.8825  0.000000       5.882489 
1 1 1 -6  7   43 o 64.935  10.169  543.668    154.962  0.0000     0.0000   543.668    154.962  ?       ?       64.935  10.169  0.000000       10.16889 
1 1 1 -6  7   44 o 52.577  6.9671  348.079    86.692   348.079    86.692   0.0000     0.0000   52.577  6.9671  ?       ?       0.000000       6.967115 
1 1 1 -6  7   45 o 51.576  5.1103  329.913    63.110   360.394    91.208   301.915    87.415   53.378  7.2281  48.655  7.6576  4.723427       10.53014 
1 1 1 -6  7   46 o 53.234  5.0501  351.524    64.449   444.695    93.140   265.930    89.273   59.521  6.5580  45.303  8.4317  14.21870       10.68180 
1 1 1 -6  7   47 o 72.722  4.4844  651.612    78.743   610.608    111.130  692.956    111.590  69.747  6.6471  74.483  6.2318  -4.736191      9.111505 
1 1 1 -6  7   48 o 26.710  9.1733  85.312     71.803   281.817    196.722  55.109     77.124   45.172  15.187  24.301  9.3241  20.87164       17.82080 
1 1 1 -6  7   49 f 50.448  7.9087  328.409    93.627   424.508    222.765  307.792    103.182  53.796  15.935  48.349  9.1299  5.446129       18.36511 
1 1 1 -6  7   50 o 33.849  5.9166  146.169    46.824   142.049    60.455   152.346    74.026   32.932  7.7030  33.913  8.8882  -0.9811745     11.76163 
1 1 1 -6  7   51 o 31.753  6.0258  129.193    44.727   132.430    57.237   124.116    71.681   31.826  7.5296  30.795  9.0163  1.030947       11.74686 
1 1 1 -6  7   52 o 15.283  6.1935  12.978     35.745   34.806     44.230   -28.1219   60.692   18.969  7.1105  16.161  7.2933  2.808350       10.18582 
1 1 1 -6  7   53 o 80.119  4.3047  791.242    83.378   788.867    113.325  794.044    123.110  79.445  5.9214  79.496  6.4377  -0.5127716E-01 8.746820 
1 1 1 -6  7   54 o 22.411  7.0086  63.122     42.326   81.312     47.122   -12.8412   96.296   25.087  7.3004  21.607  9.5012  3.480255       11.98199 
1 1 1 -6  8   1  o 112.459 3.5942  1534.73    98.076   1573.16    137.926  1495.42    139.488  113.845 4.9931  110.994 5.1793  2.850380       7.194186 
1 1 1 -6  8   2  o 222.964 5.1172  6034.24    276.842  5922.27    390.482  6147.40    392.553  220.828 7.2876  224.989 7.1907  -4.161102      10.23794 
1 1 1 -6  8   3  o 403.582 11.557  19810.77   1131.68  20199.39   1614.97  19435.82   1586.29  407.004 16.353  399.234 16.375  7.769592       23.14258 
1 1 1 -6  8   4  o 334.419 9.7823  13592.20   793.775  14167.66   1138.03  13046.98   1107.72  341.130 13.749  327.343 13.946  13.78638       19.58409 
1 1 1 -6  8   5  o 143.467 5.6108  2498.55    195.316  2357.67    290.875  2614.23    263.576  139.040 8.6650  146.531 7.4377  -7.490707      11.41937 
1 1 1 -6  8   6  o 351.094 10.334  14983.30   880.379  14682.20   1262.89  15267.95   1227.93  347.183 14.991  354.105 14.291  -6.922363      20.71209 
1 1 1 -6  8   7  o 680.066 18.925  56463.22   3122.81  56046.26   4435.25  56873.15   4397.64  675.342 27.066  680.443 26.636  -5.100403      37.97432 
1 1 1 -6  8   8  o 257.283 5.7005  8035.32    355.868  8257.21    503.166  7813.24    503.380  260.742 7.9531  253.627 8.1797  7.114670       11.40872 
1 1 1 -6  8   9  o 261.087 5.6787  8274.58    359.748  7966.58    508.750  8582.59    508.770  256.104 8.1870  265.833 7.8877  -9.728241      11.36847 
1 1 1 -6  8   10 o 377.592 7.6792  17315.07   703.561  17729.67   995.068  16900.62   994.902  381.898 10.738  372.845 10.997  9.053955       15.37062 
1 1 1 -6  8   11 o 758.138 14.947  70006.79   2749.61  70109.23   3888.67  69904.38   3888.41  757.199 21.165  756.084 21.195  1.115356       29.95350 
1 1 1 -6  8   12 o 140.203 3.9343  2385.46    133.842  2151.84    188.564  2622.68    190.008  133.138 5.8370  146.992 5.3274  -13.85355      7.902638 
1 1 1 -6  8   13 o 389.285 7.9295  18407.32   748.990  18538.87   1059.52  18275.91   1058.94  390.443 11.184  387.658 11.258  2.785126       15.86879 
1 1 1 -6  8   14 o 722.246 14.245  63547.54   2496.43  64300.65   3530.95  62794.81   3530.04  725.042 20.071  716.433 20.307  8.609131       28.55166 
1 1 1 -6  8   15 o 345.707 7.2285  14516.40   606.350  14737.37   858.131  14296.07   856.886  348.130 10.159  342.867 10.300  5.262909       14.46694 
1 1 1 -6  8   16 o 321.909 6.9170  12587.23   540.278  12707.56   763.989  12466.84   764.148  323.251 9.7406  320.167 9.8364  3.083923       13.84317 
1 1 1 -6  8   17 o 44.159  4.6081  239.299    48.647   265.993    66.232   208.027    71.687   46.411  6.0235  40.729  7.5313  5.681793       9.643782 
1 1 1 -6  8   18 o 299.966 6.5081  10933.73   473.687  10992.31   669.972  10875.18   669.818  300.531 9.1876  298.921 9.2350  1.610291       13.02679 
1 1 1 -6  8   19 o 326.090 6.8388  12928.50   541.102  13128.95   766.460  12729.33   764.014  328.260 9.6229  323.208 9.7421  5.051727       13.69343 
1 1 1 -6  8   20 o 241.235 5.3658  7071.43    314.081  7248.16    444.914  6895.87    443.443  244.044 7.5135  238.022 7.6782  6.021255       10.74278 
1 1 1 -6  8   21 o 220.390 5.1764  5902.78    276.814  6017.58    392.555  5789.23    390.401  222.339 7.2765  218.070 7.3782  4.269577       10.36268 
1 1 1 -6  8   22 o 146.067 5.7739  2594.26    204.638  2349.08    270.147  2924.36    313.464  138.614 8.0670  154.666 8.3841  -16.05193      11.63480 
1 1 1 -6  8   23 o 224.194 7.3615  6119.95    400.456  5974.11    543.081  6293.73    592.845  221.152 10.121  226.889 10.769  -5.737091      14.77811 
1 1 1 -6  8   24 o 331.287 9.9128  13401.56   796.830  13275.02   1101.20  13540.62   1154.47  328.724 13.806  331.834 14.338  -3.109955      19.90457 
1 1 1 -6  8   25 o 239.863 5.5479  6994.35    322.892  7110.31    457.763  6879.52    455.522  241.601 7.8087  237.636 7.9001  3.964615       11.10799 
1 1 1 -6  8   26 o 250.534 5.7079  7631.86    346.980  7759.99    491.961  7505.03    489.457  252.355 8.0344  248.162 8.1286  4.193146       11.42917 
1 1 1 -6  8   27 o 200.770 4.8793  4898.46    237.697  4760.97    337.440  5033.87    334.883  197.753 7.0325  203.366 6.7866  -5.612839      9.773076 
1 1 1 -6  8   28 o 254.694 5.7539  7889.35    355.586  7933.45    504.291  7845.75    501.471  255.090 8.1475  253.676 8.1471  1.413788       11.52201 
1 1 1 -6  8   29 o 235.101 5.4213  6721.56    309.258  6899.90    438.997  6545.87    435.734  237.928 7.6042  231.723 7.7498  6.205154       10.85735 
1 1 1 -6  8   30 o 38.804  9.7434  191.401    91.607   -49.0288   163.092  302.217    110.723  27.840  12.298  48.867  9.6805  -21.02662      15.65100 
1 1 1 -6  8   31 o 85.062  6.2796  886.117    128.691  908.316    213.429  873.436    161.314  85.422  10.520  84.202  7.9913  1.219093       13.21067 
1 1 1 -6  8   32 o 119.318 5.8890  1734.57    170.495  2297.93    292.122  1443.52    209.967  136.692 8.8552  108.360 8.0432  28.33277       11.96276 
1 1 1 -6  8   33 o 258.042 8.3793  8161.89    524.641  8161.89    524.641  0.0000     0.0000   258.042 8.3793  ?       ?       0.000000       8.379322 
1 1 1 -6  8   34 o 225.087 7.5012  6207.69    409.681  6207.69    409.681  0.0000     0.0000   225.087 7.5012  ?       ?       0.000000       7.501229 
1 1 1 -6  8   35 o 54.820  4.2853  368.197    56.547   415.282    82.666   326.791    77.521   57.993  5.9595  51.301  6.3644  6.692307       8.719040 
1 1 1 -6  8   36 o 65.344  4.0769  522.093    64.317   568.125    92.502   479.009    89.490   67.938  5.6630  62.285  5.9954  5.653053       8.247115 
1 1 1 -6  8   37 o 33.003  5.5842  136.863    43.122   203.387    60.544   68.371     61.434   40.236  6.4171  24.607  8.4832  15.62913       10.63689 
1 1 1 -6  8   38 o 34.428  5.5171  148.663    44.532   185.175    64.559   115.523    61.507   38.162  7.2370  30.065  8.2031  8.096277       10.93914 
1 1 1 -6  8   39 o 30.457  5.8182  117.482    41.429   89.471     59.847   143.258    57.409   26.872  8.3226  33.448  7.2803  -6.576817      11.05750 
1 1 1 -6  8   40 o 44.177  5.8540  243.573    61.205   253.384    71.236   215.910    119.617  44.877  6.7512  40.696  11.568  4.181049       13.39350 
1 1 1 -6  8   41 o 28.238  7.9624  101.677    56.912   277.422    170.974  79.778     60.354   45.899  14.042  25.734  8.4039  20.16471       16.36510 
1 1 1 -6  8   42 o 30.792  10.995  106.051    103.830  0.0000     0.0000   106.051    103.830  ?       ?       30.792  10.995  0.000000       10.99539 
1 1 1 -6  8   43 o 53.976  5.8253  362.557    75.083   314.134    88.147   490.572    143.321  49.765  7.5359  61.625  9.9218  -11.86001      12.45919 
1 1 1 -6  8   44 o 46.388  5.1309  267.429    56.784   285.411    73.297   240.436    89.804   47.610  6.5159  42.984  8.9033  4.625629       11.03288 
1 1 1 -6  8   45 o 76.833  4.5395  726.403    84.253   763.807    118.931  688.721    119.373  78.290  6.3144  74.191  6.7036  4.098694       9.209227 
1 1 1 -6  8   46 o 42.134  5.9652  223.860    59.281   231.026    85.392   217.195    82.361   42.037  8.6601  40.748  8.6003  1.289162       12.20502 
1 1 1 -6  8   47 o 21.426  8.2235  41.349     60.003   254.981    187.974  17.112     63.315   43.440  14.844  19.695  8.1413  23.74512       16.93019 
1 1 1 -6  8   48 o 49.154  7.8928  311.961    90.950   238.000    218.587  327.446    100.019  42.879  15.859  50.146  8.5253  -7.267391      18.00541 
1 1 1 -6  8   49 o 111.611 4.8840  1536.12    132.266  1581.24    169.316  1465.46    211.860  112.514 6.2262  107.176 8.2093  5.338417       10.30325 
1 1 1 -6  8   50 o 24.308  7.3999  75.052     47.558   81.414     67.867   68.913     66.664   26.039  8.9193  24.683  8.8108  1.356226       12.53732 
1 1 1 -6  8   51 o 20.158  6.4806  49.693     35.975   17.880     45.488   102.822    58.783   17.314  6.9971  28.139  8.1438  -10.82517      10.73694 
1 1 1 -6  8   52 o 70.599  4.3468  614.956    74.099   633.774    99.876   591.916    110.513  71.208  5.8317  68.464  6.7400  2.743965       8.912701 
1 1 1 -6  8   53 o 60.280  5.0105  452.125    72.621   369.940    89.048   615.337    125.488  53.838  6.9810  69.367  7.5789  -15.52952      10.30411 
1 1 1 -6  9   1  o 310.825 9.2583  11740.13   698.250  11745.35   1000.17  11735.17   975.254  310.628 13.270  310.519 12.944  0.1096191      18.53740 
1 1 1 -6  9   2  o 228.254 7.3047  6327.11    404.560  6322.60    585.018  6331.23    560.065  228.049 10.573  228.224 10.114  -0.1758118     14.63099 
1 1 1 -6  9   3  o 402.711 11.532  19723.67   1126.86  20125.34   1607.95  19336.02   1579.67  406.294 16.311  398.242 16.348  8.051544       23.09286 
1 1 1 -6  9   4  o 439.176 12.632  23467.37   1346.09  22470.41   1918.97  24433.16   1888.72  429.047 18.433  447.544 17.393  -18.49634      25.34341 
1 1 1 -6  9   5  o 410.929 11.993  20539.23   1195.82  19002.00   1707.47  22019.02   1675.27  394.638 17.832  425.019 16.245  -30.38016      24.12177 
1 1 1 -6  9   6  o 435.605 12.554  23084.83   1326.88  22189.28   1894.30  23947.50   1859.19  426.405 18.309  443.118 17.292  -16.71252      25.18371 
1 1 1 -6  9   7  o 478.599 9.5962  27834.13   1114.38  28612.08   1575.78  27055.78   1576.16  484.871 13.394  471.457 13.778  13.41418       19.21553 
1 1 1 -6  9   8  o 49.415  3.6867  297.964    43.885   332.958    62.715   264.388    61.431   52.135  5.0197  46.336  5.5759  5.798874       7.502525 
1 1 1 -6  9   9  o 218.658 5.1375  5803.18    272.570  6234.63    385.614  5372.36    385.331  226.595 7.0136  210.328 7.5504  16.26672       10.30529 
1 1 1 -6  9   10 o 847.773 16.604  87625.01   3415.44  86620.63   4830.34  88629.27   4829.99  840.772 23.677  850.561 23.403  -9.789612      33.29169 
1 1 1 -6  9   11 o 584.093 11.503  41491.09   1630.22  41232.95   2305.58  41749.18   2305.39  581.555 16.339  585.202 16.236  -3.647217      23.03400 
1 1 1 -6  9   12 o 124.182 3.8993  1871.44    117.492  1969.09    164.755  1770.40    167.599  127.364 5.3312  120.762 5.7197  6.601784       7.819027 
1 1 1 -6  9   13 o 520.439 10.350  32932.96   1307.02  32870.99   1848.48  32994.91   1848.32  519.373 14.668  520.355 14.639  -0.9826050     20.72325 
1 1 1 -6  9   14 o 354.853 7.5651  15296.46   651.365  15395.77   921.326  15197.21   921.014  355.776 10.673  353.468 10.739  2.307404       15.14019 
1 1 1 -6  9   15 o 363.282 7.6704  16035.13   676.127  15939.53   956.563  16130.57   955.813  361.922 10.893  364.091 10.819  -2.169739      15.35278 
1 1 1 -6  9   16 o 464.870 9.3218  26286.47   1051.47  26488.17   1487.53  26085.06   1486.47  466.047 13.154  462.470 13.247  3.576752       18.66854 
1 1 1 -6  9   17 o 39.112  5.0605  188.867    46.900   222.368    64.135   150.362    68.758   42.298  6.4534  34.474  8.3160  7.823711       10.52625 
1 1 1 -6  9   18 o 386.159 7.9451  18143.06   744.439  17798.20   1053.11  18487.52   1052.48  381.900 11.365  389.269 11.143  -7.369141      15.91613 
1 1 1 -6  9   19 o 302.755 6.3695  11145.00   467.911  11149.96   661.662  11140.03   661.790  302.486 9.0150  302.351 9.0208  0.1355896      12.75325 
1 1 1 -6  9   20 o 49.470  4.2522  299.436    50.545   265.960    72.255   331.515    70.731   46.292  6.6214  51.909  5.7101  -5.616776      8.743463 
1 1 1 -6  9   21 o 194.430 6.6375  4599.97    313.135  4226.41    421.475  5060.20    467.821  185.861 9.3761  203.611 9.4692  -17.75043      13.32582 
1 1 1 -6  9   22 o 141.993 5.9009  2451.83    203.305  2656.06    268.361  2176.74    311.463  147.490 7.5238  133.177 9.7054  14.31320       12.28013 
1 1 1 -6  9   23 f 48.627  6.1662  292.170    71.118   221.667    87.697   427.602    121.547  41.848  8.9100  58.573  8.8264  -16.72519      12.54166 
1 1 1 -6  9   24 o 196.561 4.8068  4694.62    229.256  4680.47    325.073  4708.62    323.367  196.110 6.8315  196.704 6.7751  -0.5939941     9.621453 
1 1 1 -6  9   25 o 228.523 5.3019  6347.85    293.984  6315.98    416.780  6379.42    414.740  227.725 7.5428  228.875 7.4682  -1.149551      10.61447 
1 1 1 -6  9   26 o 64.314  4.0973  504.447    63.607   502.356    91.186   506.428    88.771   63.996  5.9401  64.279  5.7525  -0.2825470     8.268966 
1 1 1 -6  9   27 o 167.504 4.5774  3409.25    186.042  3368.03    263.850  3450.00    262.363  166.355 6.5367  168.376 6.4218  -2.021454      9.163427 
1 1 1 -6  9   28 o 44.177  5.4427  240.899    57.107   118.715    76.777   392.214    85.440   31.073  9.3894  56.414  6.3523  -25.34169      11.33637 
1 1 1 -6  9   29 o 113.930 5.0185  1578.23    138.733  1769.12    275.945  1513.66    160.492  119.905 9.5642  111.367 5.9609  8.537331       11.26971 
1 1 1 -6  9   30 o 124.358 6.3188  1888.49    190.040  1527.08    306.923  2113.19    242.012  110.876 11.579  131.381 7.6245  -20.50443      13.86412 
1 1 1 -6  9   31 o 78.441  5.8556  753.619    110.646  840.062    202.880  717.023    132.006  82.059  10.425  76.311  7.2148  5.748024       12.67785 
1 1 1 -6  9   32 o 54.042  6.2801  361.027    80.815   361.027    80.815   0.0000     0.0000   54.042  6.2801  ?       ?       0.000000       6.280098 
1 1 1 -6  9   33 o 82.870  5.8243  842.016    116.370  842.016    116.370  0.0000     0.0000   82.870  5.8243  ?       ?       0.000000       5.824349 
1 1 1 -6  9   34 o 147.795 4.3937  2660.34    157.562  2680.55    225.407  2641.03    220.333  148.059 6.2744  146.981 6.1781  1.077988       8.805470 
1 1 1 -6  9   35 o 132.705 4.2162  2145.43    135.760  2236.16    194.423  2059.09    189.653  135.209 5.9262  129.727 6.0251  5.481277       8.451145 
1 1 1 -6  9   36 o 141.785 4.3085  2450.99    148.223  2586.68    212.058  2321.36    207.262  145.317 6.0142  137.620 6.2069  7.696899       8.642685 
1 1 1 -6  9   37 o 81.900  3.9770  817.606    79.033   797.795    113.421  836.303    110.189  80.477  5.8483  82.469  5.5387  -1.992088      8.054851 
1 1 1 -6  9   38 o 47.499  4.5889  278.089    52.229   269.749    74.912   285.978    72.857   46.322  6.8735  47.818  6.4433  -1.496513      9.421332 
1 1 1 -6  9   39 o 84.897  4.9604  884.701    101.738  908.979    119.674  821.424    193.204  85.883  5.7765  80.321  10.139  5.562447       11.66933 
1 1 1 -6  9   40 o 78.500  4.9558  757.117    93.909   733.997    109.749  820.324    181.461  77.082  5.9130  80.441  9.4789  -3.359871      11.17201 
1 1 1 -6  9   41 o 94.977  9.6932  1144.27    220.250  0.0000     0.0000   1144.27    220.250  ?       ?       94.977  9.6932  0.000000       9.693164 
1 1 1 -6  9   42 f 48.164  6.1654  290.332    70.398   302.790    82.161   255.927    136.538  48.962  7.1248  43.874  12.320  5.088081       14.23143 
1 1 1 -6  9   43 o 43.611  7.5609  243.115    77.109   243.115    77.109   0.0000     0.0000   43.611  7.5609  ?       ?       0.000000       7.560936 
1 1 1 -6  9   44 o 62.886  4.6106  487.547    69.861   432.092    98.510   543.657    99.090   58.536  7.0796  66.000  6.2626  -7.463329      9.452024 
1 1 1 -6  9   45 o 76.536  4.5414  721.404    83.959   723.294    117.184  719.410    120.352  76.082  6.4075  75.806  6.6092  0.2756729      9.205273 
1 1 1 -6  9   46 o 36.672  6.4046  171.784    54.914   108.141    81.880   223.813    74.033   29.489  9.7961  41.623  7.6109  -12.13350      12.40527 
1 1 1 -6  9   47 o 33.496  8.7274  148.212    71.645   9.8099     198.921  168.842    76.800   31.529  13.765  35.700  8.8977  -4.171091      16.39019 
1 1 1 -6  9   48 o 14.519  6.6973  -40.2506   54.909   -110.9463  182.937  -33.2509   57.563   26.194  12.132  15.357  6.9984  10.83681       14.00589 
1 1 1 -6  9   49 o 60.987  5.0366  462.167    73.864   542.223    104.990  383.708    103.938  65.527  6.6975  54.493  8.1078  11.03398       10.51633 
1 1 1 -6  9   50 f 33.519  6.7733  145.272    53.193   182.180    77.388   112.217    73.237   37.093  8.7416  29.519  9.2172  7.574286       12.70325 
1 1 1 -6  9   51 o 43.158  5.4117  233.967    55.424   253.586    74.353   209.434    83.145   44.435  7.1378  39.765  8.8457  4.670151       11.36643 
1 1 1 -6  9   52 o 37.756  5.5856  180.476    49.626   187.877    63.597   168.954    79.353   38.078  7.1459  35.568  9.1441  2.509914       11.60507 
1 1 1 -6  9   53 o 26.801  7.2265  93.953     48.067   90.160     54.653   106.907    101.001  26.381  7.9108  29.963  10.827  -3.582304      13.40951 
1 1 1 -6  10  1  o 265.507 8.1125  8562.73    522.628  8946.02    751.732  8204.14    727.099  271.222 11.423  259.727 11.538  11.49564       16.23563 
1 1 1 -6  10  2  f 510.652 14.200  31752.75   1759.49  33658.67   2502.33  29888.97   2474.51  524.874 19.648  494.432 20.626  30.44156       28.48675 
1 1 1 -6  10  3  o 275.897 8.3043  9246.35    555.920  10085.78   800.395  8463.97    772.714  287.987 11.454  263.783 12.073  24.20309       16.64190 
1 1 1 -6  10  4  o 544.107 15.373  36069.30   2029.63  34825.70   2885.51  37287.05   2855.38  533.405 22.295  552.143 21.313  -18.73767      30.84329 
1 1 1 -6  10  5  o 335.061 6.8698  13631.61   558.514  13450.09   789.321  13813.62   790.397  332.680 9.7783  337.153 9.6617  -4.472717      13.74641 
1 1 1 -6  10  6  o 408.652 8.2750  20284.63   820.511  20541.34   1160.01  20027.59   1160.75  410.987 11.632  405.802 11.789  5.185120       16.56147 
1 1 1 -6  10  7  f 459.238 9.2649  25625.30   1032.38  26024.40   1459.75  25225.92   1460.27  462.459 13.009  455.287 13.219  7.171936       18.54619 
1 1 1 -6  10  8  o 522.575 10.242  33192.80   1298.64  33802.20   1836.38  32583.19   1836.72  526.875 14.365  517.251 14.634  9.623657       20.50628 
1 1 1 -6  10  9  o 355.246 7.2698  15325.33   626.641  15100.30   886.172  15550.39   886.235  352.454 10.362  357.678 10.212  -5.224182      14.54823 
1 1 1 -6  10  10 o 344.927 7.0981  14447.68   594.064  14651.46   840.432  14244.20   839.834  347.191 9.9763  342.323 10.111  4.868011       14.20417 
1 1 1 -6  10  11 o 292.058 6.4197  10356.73   454.931  10245.18   643.559  10468.15   643.180  290.360 9.1346  293.508 9.0312  -3.148071      12.84537 
1 1 1 -6  10  12 o 354.352 7.2895  15250.59   626.750  15357.73   886.625  15143.58   886.091  355.399 10.282  352.908 10.348  2.491608       14.58734 
1 1 1 -6  10  13 o 403.103 8.2412  19744.26   806.068  19433.14   1140.06  20055.27   1139.85  399.593 11.758  405.959 11.572  -6.366089      16.49738 
1 1 1 -6  10  14 o 219.606 5.2625  5855.07    280.415  6159.56    396.966  5551.81    396.168  225.171 7.2657  213.758 7.6382  11.41234       10.54195 
1 1 1 -6  10  15 o 369.354 7.6464  16580.21   685.271  16213.37   969.370  16946.67   968.870  364.907 10.948  373.098 10.702  -8.190796      15.31025 
1 1 1 -6  10  16 o 30.106  5.6950  113.734    40.077   106.296    59.574   119.883    54.166   29.151  8.1208  30.789  7.3519  -1.638601      10.95435 
1 1 1 -6  10  17 o 496.338 10.111  30025.91   1217.66  30621.76   1722.44  29430.63   1721.63  500.120 14.194  490.208 14.474  9.911774       20.27246 
1 1 1 -6  10  18 o 304.689 6.4666  11288.48   478.079  11287.39   675.987  11289.57   676.224  304.328 9.1545  304.357 9.1568  -0.2893066E-01 12.94802 
1 1 1 -6  10  19 o 153.767 4.3806  2871.99    163.440  2740.63    229.929  3006.16    232.368  150.112 6.3127  157.229 6.0909  -7.117340      8.772050 
1 1 1 -6  10  20 o 117.840 5.6060  1688.28    160.290  1569.18    202.344  1888.94    262.638  113.278 7.4025  124.148 8.7753  -10.87030      11.48048 
1 1 1 -6  10  21 o 309.622 9.4566  11701.85   710.442  11963.55   980.771  11412.94   1030.51  312.233 12.946  304.687 13.939  7.545746       19.02333 
1 1 1 -6  10  22 o 220.662 7.2703  5928.42    389.266  5691.50    527.506  6211.68    576.800  215.855 10.072  225.429 10.545  -9.574600      14.58211 
1 1 1 -6  10  23 o 172.379 4.5368  3610.00    189.758  3612.12    268.842  3607.89    267.879  172.309 6.4302  172.209 6.4109  0.9957886E-01  9.080032 
1 1 1 -6  10  24 o 12.094  5.4991  -22.1756   35.291   2.3711     51.906   -43.2769   48.126   17.171  7.2530  13.328  6.1903  3.843621       9.535510 
1 1 1 -6  10  25 o 404.731 8.3708  19971.83   822.051  20442.41   1163.50  19502.78   1161.61  408.497 11.739  398.911 12.001  9.585938       16.78749 
1 1 1 -6  10  26 o 115.957 4.0444  1633.25    113.793  1635.22    160.202  1631.25    161.663  115.958 5.6938  115.814 5.7529  0.1440582      8.094137 
1 1 1 -6  10  27 o 89.298  4.0723  968.689    88.236   1023.52    122.154  908.865    127.591  91.575  5.5234  86.208  6.1398  5.366135       8.258638 
1 1 1 -6  10  28 f 244.852 5.5322  7292.72    328.672  7212.27    465.633  7372.61    463.997  243.165 7.8918  245.872 7.7775  -2.706940      11.08021 
1 1 1 -6  10  29 o 220.970 7.4882  5956.21    401.489  6544.25    606.997  5498.85    535.317  230.936 10.833  211.779 10.418  19.15723       15.02894 
1 1 1 -6  10  30 o 34.731  8.0523  153.290    66.537   -47.9885   156.452  197.733    73.517   27.188  12.026  39.536  7.9393  -12.34858      14.41004 
1 1 1 -6  10  31 o 35.138  13.157  116.915    151.356  116.915    151.356  0.0000     0.0000   35.138  13.157  ?       ?       0.000000       13.15686 
1 1 1 -6  10  32 o 68.951  5.8986  584.249    97.736   584.249    97.736   0.0000     0.0000   68.951  5.8986  ?       ?       0.000000       5.898604 
1 1 1 -6  10  33 o 183.813 4.8631  4117.96    216.898  4312.98    309.333  3929.34    304.213  187.707 6.7917  179.115 6.9997  8.592316       9.753143 
1 1 1 -6  10  34 o 121.330 4.0857  1792.73    120.282  1794.66    172.347  1790.90    167.946  121.152 5.8629  121.048 5.7180  0.1039047      8.189575 
1 1 1 -6  10  35 o 57.505  4.2073  405.171    58.298   345.700    83.936   460.597    81.031   52.660  6.7225  61.130  5.5227  -8.470158      8.700136 
1 1 1 -6  10  36 f 67.198  4.1279  552.607    66.979   568.135    96.601   538.231    92.950   67.833  5.9288  66.023  5.8632  1.810059       8.338308 
1 1 1 -6  10  37 f 119.727 4.1989  1748.90    121.982  1860.57    174.531  1642.26    170.555  123.168 5.8400  115.503 6.1074  7.664726       8.450185 
1 1 1 -6  10  38 o 21.726  6.7915  57.744     39.749   67.607     55.856   47.625     56.578   24.062  8.0924  21.905  8.0749  2.156918       11.43202 
1 1 1 -6  10  39 o 176.725 5.7353  3833.60    245.933  3872.02    295.378  3746.76    444.030  177.161 6.8714  171.965 10.695  5.196045       12.71182 
1 1 1 -6  10  40 o 112.695 5.8625  1564.99    159.754  0.0000     0.0000   1564.99    159.754  ?       ?       112.695 5.8625  0.000000       5.862514 
1 1 1 -6  10  41 o 113.783 9.6876  1641.77    264.913  0.0000     0.0000   1641.77    264.913  ?       ?       113.783 9.6876  0.000000       9.687574 
1 1 1 -6  10  42 o 56.092  6.9974  395.796    93.165   395.796    93.165   0.0000     0.0000   56.092  6.9974  ?       ?       0.000000       6.997419 
1 1 1 -6  10  43 o 46.520  5.0098  268.821    55.657   259.482    84.101   276.098    74.239   44.912  8.0113  46.725  6.7433  -1.813381      10.47154 
1 1 1 -6  10  44 o 60.810  4.6331  456.520    67.847   460.057    97.626   453.216    94.359   60.466  6.7703  60.068  6.5818  0.3979568      9.442267 
1 1 1 -6  10  45 o 26.029  7.3176  87.301     48.143   93.595     70.759   81.876     65.693   27.545  9.1045  26.044  8.7760  1.501543       12.64556 
1 1 1 -6  10  46 o 17.810  7.6872  -2.7305    60.599   331.886    186.775  -42.0994   64.065   48.322  14.654  15.909  7.2998  32.41358       16.37192 
1 1 1 -6  10  47 o 28.704  8.8807  106.059    68.163   73.411     195.206  110.592    72.742   33.784  14.157  29.323  9.1909  4.461033       16.87849 
1 1 1 -6  10  48 o 50.993  5.4205  325.395    66.039   346.213    92.891   304.120    93.905   51.892  7.6031  48.315  8.3098  3.576569       11.26316 
1 1 1 -6  10  49 o 47.307  5.6490  281.227    63.560   270.543    91.628   291.136    88.243   45.398  8.6337  47.386  7.9569  -1.987823      11.74106 
1 1 1 -6  10  50 o 24.089  7.5857  72.873     49.486   16.938     71.577   124.092    68.493   20.651  8.6062  30.733  8.7593  -10.08199      12.27971 
1 1 1 -6  10  51 o 33.993  6.6412  149.282    52.813   144.767    76.422   153.409    73.069   33.008  9.1985  33.979  8.7945  -0.9716148     12.72616 
1 1 1 -6  10  52 o 30.710  6.8435  123.018    49.690   113.369    57.033   153.419    101.237  29.340  7.8551  33.983  10.866  -4.642622      13.40781 
1 1 1 -6  11  1  o 204.412 6.7363  5073.47    334.112  5317.22    485.235  4853.71    460.728  209.177 9.5603  199.854 9.5010  9.322998       13.47844 
1 1 1 -6  11  2  o 690.466 18.893  58212.17   3165.31  62060.25   4490.63  54412.39   4462.35  710.875 26.035  665.119 27.650  45.75641       37.97813 
1 1 1 -6  11  3  o 913.674 17.802  101856.10  3946.63  100645.70  5580.03  103067.60  5582.74  905.576 25.395  916.527 25.104  -10.95074      35.70854 
1 1 1 -6  11  4  o 636.492 12.384  49284.62   1912.65  48750.20   2703.81  49819.89   2705.97  632.143 17.628  639.076 17.450  -6.933044      24.80434 
1 1 1 -6  11  5  o 395.241 8.0074  18973.89   767.921  18762.95   1085.33  19185.36   1086.68  392.807 11.387  397.214 11.275  -4.406067      16.02476 
1 1 1 -6  11  6  o 475.228 9.5301  27444.02   1098.91  27790.74   1553.60  27096.86   1554.59  477.840 13.400  471.817 13.579  6.023560       19.07742 
1 1 1 -6  11  7  o 848.687 16.522  87817.02   3402.37  88632.30   4811.23  87001.44   4812.13  850.539 23.313  842.598 23.537  7.941040       33.12841 
1 1 1 -6  11  8  o 751.983 14.626  68876.41   2668.74  69011.09   3773.86  68741.69   3774.49  751.229 20.704  749.749 20.748  1.480347       29.31088 
1 1 1 -6  11  9  o 197.516 4.7449  4735.05    227.402  4699.47    321.353  4770.74    321.837  196.729 6.7321  198.217 6.6916  -1.487274      9.492043 
1 1 1 -6  11  10 o 502.341 10.078  30677.26   1228.34  30398.24   1737.28  30956.20   1736.99  499.531 14.333  504.113 14.201  -4.582703      20.17661 
1 1 1 -6  11  11 o 232.738 5.4543  6575.74    308.012  6442.67    435.826  6708.53    435.363  230.294 7.7995  235.004 7.6351  -4.710068      10.91449 
1 1 1 -6  11  12 o 222.270 5.0633  5997.34    273.073  5727.46    386.106  6267.44    386.261  217.141 7.3283  227.158 7.0079  -10.01756      10.13974 
1 1 1 -6  11  13 o 99.522  3.6840  1202.06    88.961   1266.33    124.674  1135.39    126.978  102.132 5.0309  96.549  5.4424  5.582962       7.411496 
1 1 1 -6  11  14 o 557.446 10.937  37839.14   1479.31  37752.52   2092.33  37925.71   2091.77  555.773 15.516  557.057 15.476  -1.283936      21.91423 
1 1 1 -6  11  15 o 391.906 8.1592  18680.31   775.878  18720.09   1097.57  18640.59   1096.95  391.833 11.544  390.997 11.562  0.8359375      16.33890 
1 1 1 -6  11  16 o 322.792 6.9086  12668.56   541.100  13211.04   765.558  12127.00   764.905  329.300 9.5812  315.443 9.9936  13.85757       13.84460 
1 1 1 -6  11  17 o 148.813 4.1521  2689.21    149.926  2589.53    212.109  2788.74    211.945  145.954 5.9893  151.475 5.7666  -5.520889      8.314171 
1 1 1 -6  11  18 o 49.349  4.4029  298.162    52.167   324.318    73.064   270.961    74.508   51.300  5.9821  46.711  6.7714  4.589230       9.035336 
1 1 1 -6  11  19 o 312.127 9.6521  11895.15   730.997  12717.13   1008.53  10985.33   1061.05  321.924 12.911  298.720 14.639  23.20416       19.51911 
1 1 1 -6  11  20 o 241.035 7.7765  7078.19    454.808  6930.85    617.380  7253.03    672.548  238.070 10.688  243.411 11.387  -5.340530      15.61719 
1 1 1 -6  11  21 o 284.691 8.8774  9886.09    613.234  10071.22   840.534  9675.40    896.672  286.688 12.083  280.738 13.163  5.950195       17.86839 
1 1 1 -6  11  22 o 108.544 5.3020  1432.11    139.640  1249.52    181.020  1700.44    219.443  101.024 7.4371  117.900 7.7133  -16.87664      10.71475 
1 1 1 -6  11  23 o 259.921 5.7521  8215.08    362.771  8350.89    513.462  8079.73    512.610  261.768 8.0840  257.465 8.2055  4.302643       11.51875 
1 1 1 -6  11  24 o 467.490 9.4923  26684.70   1076.73  26867.19   1523.35  26502.50   1522.10  467.593 13.427  464.372 13.509  3.220459       19.04624 
1 1 1 -6  11  25 o 300.077 6.4789  10958.55   471.731  11072.47   667.712  10845.02   666.547  301.169 9.1372  298.044 9.2169  3.125458       12.97847 
1 1 1 -6  11  26 o 271.141 5.9954  8944.48    394.433  9279.52    558.817  8611.83    556.815  275.806 8.3503  265.647 8.6386  10.15878       12.01468 
1 1 1 -6  11  27 o 128.970 4.2031  2021.01    131.530  1754.81    184.980  2293.24    187.061  119.889 6.3818  137.300 5.6150  -17.41050      8.500349 
1 1 1 -6  11  28 o 97.390  6.1936  1159.56    145.599  863.108    237.318  1338.50    184.377  82.920  12.156  104.516 7.3166  -21.59660      14.18829 
1 1 1 -6  11  29 o 250.473 8.1555  7667.46    495.649  8079.74    742.644  7336.30    665.578  256.043 11.954  244.203 11.233  11.84065       16.40321 
1 1 1 -6  11  30 o 18.124  8.7171  -167.3559  112.536  -167.3559  112.536  0.0000     0.0000   18.124  8.7171  ?       ?       0.000000       8.717113 
1 1 1 -6  11  31 o 110.849 5.7069  1502.35    152.974  1502.35    152.974  0.0000     0.0000   110.849 5.7069  ?       ?       0.000000       5.706881 
1 1 1 -6  11  32 o 38.870  6.4866  189.627    59.023   207.354    68.378   137.808    116.907  40.553  7.2135  34.455  11.707  6.097454       13.75083 
1 1 1 -6  11  33 o 107.900 4.0022  1417.49    104.781  1345.20    150.193  1486.04    146.251  104.726 5.9350  110.309 5.4642  -5.582901      8.067289 
1 1 1 -6  11  34 o 59.144  4.2449  428.496    60.512   461.628    87.518   398.148    83.760   61.122  5.9776  56.683  6.1907  4.439522       8.605670 
1 1 1 -6  11  35 o 83.667  4.0078  853.203    81.363   861.787    115.936  844.872    114.211  83.692  5.7439  82.869  5.7150  0.8232651      8.102670 
1 1 1 -6  11  36 o 91.270  4.0627  1015.92    89.971   1106.08    129.588  932.016    125.012  94.838  5.6572  86.962  5.9606  7.876556       8.217802 
1 1 1 -6  11  37 o 91.367  4.0684  1018.47    90.195   1067.58    129.889  972.748    125.341  93.106  5.7781  88.842  5.8472  4.263695       8.220426 
1 1 1 -6  11  38 o 122.724 5.1293  1844.37    152.739  1904.26    181.863  1700.98    281.387  124.482 6.0211  115.924 10.105  8.557648       11.76272 
1 1 1 -6  11  39 o 73.692  5.8970  671.582    104.559  0.0000     0.0000   671.582    104.559  ?       ?       73.692  5.8970  0.000000       5.897006 
1 1 1 -6  11  40 o 51.401  11.395  349.314    138.383  0.0000     0.0000   349.314    138.383  ?       ?       51.401  11.395  0.000000       11.39466 
1 1 1 -6  11  41 o 101.266 6.9726  1276.75    170.281  1276.75    170.281  0.0000     0.0000   101.266 6.9726  ?       ?       0.000000       6.972558 
1 1 1 -6  11  42 o 41.378  5.4276  214.179    53.179   175.870    69.056   269.999    83.359   36.833  7.9591  45.919  7.7581  -9.085152      11.11464 
1 1 1 -6  11  43 o 56.304  4.8573  392.343    65.709   425.665    93.574   359.926    92.294   58.149  6.7581  53.233  7.3407  4.916042       9.977826 
1 1 1 -6  11  44 o 28.838  6.9263  107.803    47.857   32.423     70.954   170.712    64.820   21.851  8.7712  36.255  7.6109  -14.40407      11.61289 
1 1 1 -6  11  45 o 38.199  7.8168  190.162    70.010   323.984    211.319  173.663    74.201   47.784  15.731  36.289  8.5648  11.49491       17.91149 
1 1 1 -6  11  46 o 28.469  8.9161  103.864    68.472   99.594     192.332  104.483    73.272   34.807  14.267  28.693  9.2514  6.114771       17.00405 
1 1 1 -6  11  47 o 46.328  5.9144  270.853    64.968   289.664    89.735   250.130    94.182   47.182  8.1319  43.381  9.2311  3.801220       12.30210 
1 1 1 -6  11  48 o 31.148  7.2070  126.649    53.388   143.822    79.056   112.252    72.387   32.936  9.4186  29.471  9.1573  3.465145       13.13645 
1 1 1 -6  11  49 o 13.736  6.1444  -16.5336   42.031   -23.1813   63.707   -11.4097   55.931   16.902  7.5625  16.476  7.2431  0.4262295      10.47163 
1 1 1 -6  11  50 o 39.737  6.3607  201.667    59.260   150.841    85.187   249.324    82.489   33.667  9.8211  43.698  8.0774  -10.03131      12.71608 
1 1 1 -6  11  51 o 30.841  7.2307  124.631    53.170   124.057    75.327   125.200    75.060   30.711  9.3049  30.829  9.2767  -0.1184540     13.13922 
1 1 1 -6  12  1  o 562.452 11.065  38465.39   1510.02  38283.77   2134.41  38647.38   2136.56  560.493 15.694  563.158 15.636  -2.664734      22.15384 
1 1 1 -6  12  2  o 120.478 3.6865  1761.39    107.766  1733.69    151.710  1789.61    153.109  119.512 5.2316  121.424 5.1967  -1.912277      7.374018 
1 1 1 -6  12  3  o 465.396 9.3168  26318.56   1052.09  27021.29   1486.48  25613.16   1489.29  471.217 13.001  458.733 13.380  12.48370       18.65606 
1 1 1 -6  12  4  o 725.345 14.158  64062.63   2491.72  64423.04   3522.59  63701.72   3525.06  726.071 19.995  721.961 20.123  4.109680       28.36764 
1 1 1 -6  12  5  o 513.272 10.206  32022.73   1271.10  32567.84   1796.76  31476.59   1798.45  517.146 14.319  508.373 14.580  8.772797       20.43543 
1 1 1 -6  12  6  o 115.975 3.7619  1632.21    105.860  1668.17    149.502  1596.05    149.918  117.231 5.2558  114.667 5.3883  2.563370       7.527104 
1 1 1 -6  12  7  o 295.413 6.2925  10595.50   451.041  11127.99   637.334  10061.21   638.404  302.643 8.6791  287.748 9.1436  14.89432       12.60682 
1 1 1 -6  12  8  f 175.086 4.3615  3720.50    185.291  3729.56    261.577  3711.38    262.507  175.267 6.1509  174.838 6.1879  0.4284210      8.724832 
1 1 1 -6  12  9  o 779.627 15.378  74102.33   2909.01  75148.55   4113.55  73055.68   4114.38  783.238 21.645  772.146 21.960  11.09253       30.83457 
1 1 1 -6  12  10 o 497.258 9.8156  30062.45   1184.30  30387.97   1674.74  29736.82   1674.97  499.421 13.820  494.018 13.973  5.402924       19.65336 
1 1 1 -6  12  11 o 347.382 7.2352  14658.80   609.844  14456.84   862.625  14860.60   862.274  344.755 10.312  349.549 10.167  -4.793610      14.48096 
1 1 1 -6  12  12 o 292.249 6.4028  10373.53   454.036  10115.94   642.815  10629.99   641.395  288.428 9.1851  295.683 8.9400  -7.255402      12.81755 
1 1 1 -6  12  13 o 419.922 8.5579  21443.09   871.971  21225.25   1233.65  21660.58   1232.65  417.284 12.184  421.563 12.051  -4.279144      17.13697 
1 1 1 -6  12  14 o 65.656  3.9125  525.145    62.046   534.449    88.257   516.053    87.245   66.100  5.5543  64.941  5.5913  1.158958       7.881177 
1 1 1 -6  12  15 o 246.483 5.5609  7381.33    332.578  7540.74    470.595  7222.28    470.078  248.958 7.7904  243.630 7.9520  5.328125       11.13211 
1 1 1 -6  12  16 o 104.812 3.8097  1333.86    96.887   1359.27    137.149  1308.54    136.889  105.629 5.3688  103.625 5.4636  2.003311       7.659946 
1 1 1 -6  12  17 f 161.522 4.4006  3169.07    172.467  3147.33    244.350  3190.66    243.462  160.865 6.2602  161.973 6.1948  -1.107697      8.807098 
1 1 1 -6  12  18 o 225.911 7.4460  6215.58    408.156  6213.70    555.230  6217.80    602.049  225.506 10.147  225.439 11.006  0.6697083E-01  14.97013 
1 1 1 -6  12  19 o 390.333 11.370  18653.52   1076.82  18272.16   1496.77  19062.68   1550.35  384.600 16.039  392.730 16.269  -8.129852      22.84617 
1 1 1 -6  12  20 o 193.978 6.7885  4579.61    319.515  4400.59    425.675  4810.63    483.565  189.890 9.2387  198.176 10.090  -8.286148      13.68051 
1 1 1 -6  12  21 o 290.093 8.8097  10264.62   620.099  9625.87    849.465  10993.29   907.294  280.163 12.496  299.404 12.489  -19.24081      17.66704 
1 1 1 -6  12  22 o 88.199  3.9017  944.772    83.500   971.634    115.419  915.275    120.948  89.243  5.3549  86.563  5.7918  2.679420       7.887981 
1 1 1 -6  12  23 o 331.281 7.0371  13362.08   565.659  14103.20   800.788  12624.01   799.141  339.798 9.7125  321.362 10.249  18.43610       14.11977 
1 1 1 -6  12  24 o 167.816 4.4142  3421.66    179.743  3393.94    254.706  3449.17    253.687  167.010 6.2854  168.370 6.2097  -1.359329      8.835526 
1 1 1 -6  12  25 f 131.796 4.2109  2110.33    134.660  2010.45    191.822  2207.38    189.083  128.537 6.1504  134.709 5.7849  -6.171585      8.443462 
1 1 1 -6  12  26 f 231.962 8.8087  6571.28    495.785  5403.33    835.837  7205.27    615.817  207.942 16.707  242.565 10.463  -34.62303      19.71292 
1 1 1 -6  12  27 o 91.402  6.3822  1022.39    140.655  768.565    243.883  1148.90    172.175  77.883  13.388  96.784  7.3874  -18.90098      15.29093 
1 1 1 -6  12  28 o 145.099 6.5189  2566.10    229.510  2328.49    371.974  2712.17    291.643  137.145 11.278  148.767 8.1100  -11.62228      13.89130 
1 1 1 -6  12  29 o 42.021  7.2723  221.766    71.464   -79.0517   190.572  270.990    77.089   29.173  13.064  46.600  7.0370  -17.42701      14.83898 
1 1 1 -6  12  30 o 158.668 6.4422  3074.03    248.020  3074.03    248.020  0.0000     0.0000   158.668 6.4422  ?       ?       0.000000       6.442200 
1 1 1 -6  12  31 o 35.850  7.8849  163.768    66.723   163.768    66.723   0.0000     0.0000   35.850  7.8849  ?       ?       0.000000       7.884949 
1 1 1 -6  12  32 o 69.167  4.1159  584.584    68.763   620.925    101.409  553.654    93.556   71.026  5.9388  67.063  5.8068  3.963081       8.305919 
1 1 1 -6  12  33 o 92.086  4.0496  1033.02    90.483   984.626    131.063  1077.10    125.071  89.473  6.0730  93.705  5.5253  -4.231483      8.210413 
1 1 1 -6  12  34 o 47.473  4.6208  277.641    52.552   298.002    77.427   260.250    71.558   48.809  6.7156  45.565  6.6698  3.244152       9.464966 
1 1 1 -6  12  35 o 33.497  6.1621  141.975    48.238   89.866     65.461   203.896    71.359   27.189  8.7421  39.995  7.6317  -12.80625      11.60460 
1 1 1 -6  12  36 o 69.583  4.1894  593.016    70.402   539.391    102.553  640.815    96.821   65.901  6.4980  72.087  5.5788  -6.186554      8.564328 
1 1 1 -6  12  37 o 43.760  6.1554  239.883    63.551   259.397    74.490   187.686    121.827  45.344  6.9955  38.299  11.876  7.045082       13.78350 
1 1 1 -6  12  38 o 18.322  7.5238  14.582     53.611   0.0000     0.0000   14.582     53.611   ?       ?       18.322  7.5238  0.000000       7.523759 
1 1 1 -6  12  39 o 121.634 9.8181  1875.45    287.294  0.0000     0.0000   1875.45    287.294  ?       ?       121.634 9.8181  0.000000       9.818070 
1 1 1 -6  12  40 o 36.851  7.1321  173.848    61.468   123.850    71.950   308.924    118.262  31.047  9.0170  48.487  10.366  -17.44026      13.73916 
1 1 1 -6  12  41 o 89.343  6.8743  996.196    147.880  996.196    147.880  0.0000     0.0000   89.343  6.8743  ?       ?       0.000000       6.874337 
1 1 1 -6  12  42 o 9.4614  4.6472  -74.7355   36.871   -92.2658   60.648   -64.4579   46.438   13.139  6.3389  11.808  5.6584  1.331380       8.496978 
1 1 1 -6  12  43 o 52.338  5.0105  340.223    62.853   347.899    90.343   333.022    87.501   52.266  7.3250  51.140  7.2549  1.125267       10.30969 
1 1 1 -6  12  44 o 36.961  6.0369  173.720    52.271   63.199     77.037   268.017    71.158   24.983  9.3802  45.939  6.5711  -20.95591      11.45282 
1 1 1 -6  12  45 o 74.901  6.8179  707.830    122.553  571.671    255.605  748.475    139.652  61.743  16.671  76.686  7.6056  -14.94280      18.32423 
1 1 1 -6  12  46 o 44.926  8.2047  263.626    86.143   -28.4362   212.826  320.850    94.205   30.939  13.834  49.717  8.0872  -18.77787      16.02446 
1 1 1 -6  12  47 o 35.320  6.8173  161.272    56.309   224.658    79.843   98.549     79.424   41.377  8.2421  28.312  9.6492  13.06586       12.69010 
1 1 1 -6  12  48 o 38.151  7.0051  187.958    62.457   187.565    87.355   188.368    89.334   37.411  9.5813  37.460  9.7382  -0.4919815E-01 13.66140 
1 1 1 -6  12  49 o 44.500  5.8313  250.057    61.449   270.965    87.320   229.544    86.490   45.552  8.2020  41.628  8.8360  3.923298       12.05605 
1 1 1 -6  12  50 o 50.663  5.4398  321.901    65.823   379.781    92.022   261.260    94.192   54.481  7.1325  44.323  9.0641  10.15824       11.53391 
1 1 1 -6  12  51 o 33.414  7.5830  147.219    60.072   147.981    77.132   146.043    95.772   33.199  9.2374  33.122  10.566  0.7673645E-01  14.03469 
1 1 1 -6  13  1  o 164.995 4.2878  3303.86    171.660  3348.96    242.119  3258.28    243.415  166.090 6.0079  163.824 6.1236  2.266190       8.578638 
1 1 1 -6  13  2  o 370.364 7.5910  16659.22   682.166  16632.25   963.509  16686.34   965.952  369.868 10.736  370.468 10.746  -0.6002197     15.19002 
1 1 1 -6  13  3  o 323.433 6.8978  12702.40   541.328  12919.92   764.284  12483.43   766.828  326.052 9.6606  320.485 9.8611  5.566589       13.80467 
1 1 1 -6  13  4  f 242.278 5.4243  7125.26    318.873  7049.74    449.935  7201.48    451.980  240.923 7.6968  243.503 7.6498  -2.580704      10.85172 
1 1 1 -6  13  5  o 170.270 4.4142  3518.61    182.370  3364.36    257.296  3674.35    258.528  166.462 6.3702  173.967 6.1246  -7.505066      8.836848 
1 1 1 -6  13  6  o 335.076 7.0747  13634.76   575.195  13925.60   812.769  13342.95   814.129  338.471 9.8965  331.300 10.128  7.171509       14.16015 
1 1 1 -6  13  7  o 303.273 6.5125  11168.06   479.233  11140.81   677.147  11195.41   678.329  302.771 9.2173  303.512 9.2109  -0.7413025     13.03068 
1 1 1 -6  13  8  o 526.273 10.613  33682.80   1355.24  34222.94   1916.05  33142.03   1917.15  529.852 14.903  521.376 15.155  8.476807       21.25495 
1 1 1 -6  13  9  o 310.772 6.7525  11729.39   509.177  12089.04   719.581  11368.74   720.591  315.345 9.4044  305.785 9.7120  9.559601       13.51906 
1 1 1 -6  13  10 o 787.417 15.478  75678.04   2957.18  75216.58   4181.65  76139.68   4182.52  782.600 22.021  787.444 21.890  -4.844238      31.05048 
1 1 1 -6  13  11 o 694.596 13.520  58836.98   2278.66  59303.60   3222.51  58370.35   3222.50  695.559 19.094  690.007 19.248  5.551819       27.11177 
1 1 1 -6  13  12 o 435.011 8.8166  23017.81   930.610  22730.27   1316.48  23305.01   1315.69  431.707 12.568  437.161 12.404  -5.453705      17.65783 
1 1 1 -6  13  13 o 276.072 6.0275  9260.08    403.758  9165.54    571.190  9354.50    570.810  274.454 8.5772  277.278 8.4842  -2.823395      12.06446 
1 1 1 -6  13  14 o 274.194 5.9633  9136.82    396.741  9202.97    561.377  9070.80    560.778  274.951 8.4146  272.964 8.4668  1.987244       11.93705 
1 1 1 -6  13  15 o 178.541 4.5603  3871.90    197.556  3821.67    279.084  3922.35    279.690  177.271 6.4883  179.596 6.4183  -2.324539      9.126456 
1 1 1 -6  13  16 o 221.696 5.3136  5973.75    285.833  6046.16    404.724  5901.70    403.734  222.834 7.4854  220.148 7.5582  2.686111       10.63751 
1 1 1 -6  13  17 o 67.854  5.4528  563.354    89.018   554.670    110.248  579.620    150.888  67.158  6.8620  68.286  9.3524  -1.128334      11.59975 
1 1 1 -6  13  18 o 84.781  5.4018  877.388    110.544  950.508    140.161  757.050    179.808  88.131  6.6024  78.145  9.6908  9.985344       11.72622 
1 1 1 -6  13  19 o 144.425 5.9546  2536.90    208.669  2754.80    275.948  2245.91    318.892  150.192 7.5968  135.257 9.7828  14.93491       12.38603 
1 1 1 -6  13  20 o 128.672 5.8137  2013.42    181.511  2013.29    230.661  2013.63    294.156  128.358 7.4380  128.074 9.5339  0.2833099      12.09212 
1 1 1 -6  13  21 o 290.616 6.4340  10276.67   453.697  10011.79   641.134  10542.36   642.116  286.402 9.2259  293.935 9.0032  -7.533173      12.89091 
1 1 1 -6  13  22 o 281.431 6.2069  9636.00    423.847  9848.88    599.017  9422.57    599.805  284.141 8.6884  277.886 8.8957  6.254395       12.43471 
1 1 1 -6  13  23 o 173.098 4.5461  3640.80    190.939  3667.61    269.186  3613.64    270.881  173.602 6.3905  172.312 6.4788  1.289398       9.100208 
1 1 1 -6  13  24 o 218.049 5.1453  5780.43    272.225  5849.34    386.819  5712.81    383.175  219.114 7.2757  216.540 7.2928  2.574326       10.30150 
1 1 1 -6  13  25 o 201.079 5.0797  4916.22    247.837  4953.19    352.047  4879.89    348.961  201.609 7.1966  200.113 7.1869  1.496048       10.17064 
1 1 1 -6  13  26 o 244.590 8.1888  7304.26    485.985  7194.04    728.363  7392.71    652.459  241.420 12.477  245.452 10.955  -4.032211      16.60375 
1 1 1 -6  13  27 o 144.780 6.4385  2554.45    226.181  2601.50    366.924  2525.62    287.246  145.208 10.485  143.516 8.2840  1.691238       13.36231 
1 1 1 -6  13  28 o 195.874 6.9166  4683.17    328.724  5826.11    514.763  3896.12    427.167  217.820 9.7397  177.815 9.9405  40.00542       13.91671 
1 1 1 -6  13  29 o 125.965 6.1437  1936.16    187.778  1936.16    187.778  0.0000     0.0000   125.965 6.1437  ?       ?       0.000000       6.143701 
1 1 1 -6  13  30 o 120.842 6.1018  1788.10    178.333  1788.10    178.333  0.0000     0.0000   120.842 6.1018  ?       ?       0.000000       6.101787 
1 1 1 -6  13  31 o 121.028 4.1553  1783.67    122.027  1901.03    175.938  1674.87    169.393  124.726 5.8135  116.896 5.9923  7.829590       8.348903 
1 1 1 -6  13  32 o 62.869  4.1990  483.747    63.686   438.734    93.584   522.576    86.916   59.461  6.5976  65.150  5.5512  -5.688858      8.622270 
1 1 1 -6  13  33 o 41.093  5.0038  209.298    48.862   187.863    72.325   227.294    66.273   38.312  8.0367  42.532  6.6386  -4.220169      10.42397 
1 1 1 -6  13  34 o 61.937  4.2981  470.312    64.194   436.270    93.872   500.216    87.981   59.201  6.6500  63.628  5.7612  -4.427414      8.798537 
1 1 1 -6  13  35 o 74.077  4.1624  671.740    74.512   679.208    108.449  665.063    102.551  74.117  6.0841  73.398  5.8056  0.7190704      8.409576 
1 1 1 -6  13  36 o 35.319  7.3047  159.691    60.533   182.120    69.736   91.136     121.919  37.655  7.8854  30.923  11.757  6.731232       14.15649 
1 1 1 -6  13  37 o 80.907  5.0795  804.958    99.211   830.610    115.858  734.438    192.100  82.012  5.8608  75.505  10.793  6.506897       12.28123 
1 1 1 -6  13  38 o 51.362  6.5234  330.464    79.465   0.0000     0.0000   330.464    79.465   ?       ?       51.362  6.5234  0.000000       6.523375 
1 1 1 -6  13  39 o 96.593  5.6661  1151.64    132.218  1157.42    162.191  1140.17    228.286  96.414  6.9802  94.380  10.127  2.034454       12.29953 
1 1 1 -6  13  40 o 75.211  6.8548  707.235    123.722  707.235    123.722  0.0000     0.0000   75.211  6.8548  ?       ?       0.000000       6.854848 
1 1 1 -6  13  41 o 42.912  5.5894  230.752    56.817   276.853    90.057   200.270    73.230   46.286  8.3248  39.317  7.9495  6.968761       11.51073 
1 1 1 -6  13  42 o 60.242  4.8846  449.266    70.783   449.460    102.613  449.091    97.768   59.554  7.2508  59.654  6.8807  -0.9993744E-01 9.995871 
1 1 1 -6  13  43 o 80.226  4.4097  792.918    85.510   1017.72    121.628  573.206    120.242  90.531  5.5639  67.158  7.5074  23.37334       9.344428 
1 1 1 -6  13  44 o 40.961  8.9820  222.371    86.811   0.0000     0.0000   222.371    86.811   ?       ?       40.961  8.9820  0.000000       8.982010 
1 1 1 -6  13  45 o 37.413  8.9387  186.304    80.034   253.477    205.335  174.271    86.907   43.161  15.457  36.046  9.7160  7.115189       18.25723 
1 1 1 -6  13  46 o 50.625  5.2113  320.297    63.100   356.973    90.386   285.427    88.131   52.797  7.2467  46.827  8.0465  5.969887       10.82869 
1 1 1 -6  13  47 o 36.462  6.2758  170.218    53.520   185.223    76.793   156.046    74.631   37.376  8.6404  34.253  8.8991  3.123642       12.40365 
1 1 1 -6  13  48 o 47.018  5.7113  278.333    63.819   345.630    91.519   214.633    89.040   51.851  7.4916  40.066  9.3326  11.78495       11.96748 
1 1 1 -6  13  49 f 35.445  6.6657  162.279    55.223   164.101    80.598   160.666    75.816   34.999  9.3235  34.694  8.9479  0.3044891      12.92253 
1 1 1 -6  13  50 f 39.695  7.2947  205.142    67.671   221.148    82.431   172.057    118.510  40.779  8.6015  35.778  11.781  5.001297       14.58662 
1 1 1 -6  14  1  o 381.471 7.8164  17675.04   723.492  17550.10   1022.24  17800.45   1024.11  379.898 11.090  382.603 11.031  -2.704559      15.64212 
1 1 1 -6  14  2  o 344.879 7.0297  14443.67   588.256  13905.84   830.738  14984.57   833.107  338.225 10.123  351.122 9.7786  -12.89664      14.07444 
1 1 1 -6  14  3  o 58.909  3.6849  422.779    52.406   427.700    74.569   417.976    73.665   59.126  5.2524  58.445  5.2506  0.6811676      7.426806 
1 1 1 -6  14  4  o 467.544 9.5598  26568.54   1084.51  26545.53   1532.40  26591.64   1535.07  466.918 13.526  467.322 13.538  -0.4038086     19.13696 
1 1 1 -6  14  5  o 92.531  3.5937  1039.03    80.686   1109.48    113.816  967.847    114.400  95.479  4.9297  89.133  5.3138  6.345306       7.248286 
1 1 1 -6  14  6  o 387.385 7.9833  18231.01   750.398  18209.95   1060.48  18252.12   1061.96  386.897 11.297  387.344 11.299  -0.4475098     15.97760 
1 1 1 -6  14  7  o 210.579 4.9221  5382.71    251.496  5318.64    355.060  5447.22    356.280  209.264 6.9927  211.780 6.9333  -2.516296      9.847290 
1 1 1 -6  14  8  o 245.783 5.5416  7334.33    330.481  7139.27    466.900  7530.18    467.843  242.397 7.9384  248.954 7.7449  -6.556992      11.09062 
1 1 1 -6  14  9  o 496.114 10.074  29941.77   1212.74  30063.81   1714.39  29819.53   1715.76  496.453 14.232  494.419 14.302  2.034210       20.17664 
1 1 1 -6  14  10 o 160.917 4.3470  3143.31    169.729  2989.31    239.635  3298.34    240.434  156.876 6.2955  164.795 6.0130  -7.918045      8.705672 
1 1 1 -6  14  11 o 348.124 7.2468  14730.35   612.132  14891.82   865.383  14568.66   865.987  349.707 10.199  345.876 10.319  3.830322       14.50819 
1 1 1 -6  14  12 o 139.212 4.0647  2352.83    137.298  2206.33    194.120  2499.48    194.219  134.755 5.9369  143.440 5.5803  -8.685699      8.147796 
1 1 1 -6  14  13 o 298.334 6.4170  10820.43   464.513  10876.73   657.454  10764.32   656.389  298.800 9.0682  297.247 9.1008  1.552429       12.84744 
1 1 1 -6  14  14 o 168.587 4.4872  3452.24    183.555  3335.04    259.247  3570.05    259.926  165.596 6.4521  171.344 6.2520  -5.748123      8.984239 
1 1 1 -6  14  15 o 343.228 7.2394  14342.39   602.905  14285.22   852.963  14399.48   852.310  341.936 10.281  343.313 10.232  -1.376251      14.50440 
1 1 1 -6  14  16 o 31.700  8.1491  127.139    63.026   115.957    73.354   158.675    123.190  30.660  9.1582  36.698  12.007  -6.037464      15.10142 
1 1 1 -6  14  17 o 278.832 8.7452  9484.93    591.667  9726.25    813.523  9213.95    862.074  281.691 11.902  273.909 12.971  7.781738       17.60434 
1 1 1 -6  14  18 f 147.248 5.9324  2637.12    211.954  2611.39    280.237  2671.51    323.999  146.171 7.9310  147.681 9.0859  -1.509888      12.06047 
1 1 1 -6  14  19 o 280.596 8.6096  9602.81    586.179  9110.31    804.444  10160.34   855.911  272.590 12.162  287.848 12.255  -15.25769      17.26564 
1 1 1 -6  14  20 o 398.416 8.3102  19354.13   803.364  19602.34   1136.85  19106.55   1135.41  399.982 11.714  394.845 11.851  5.136505       16.66325 
1 1 1 -6  14  21 o 287.483 6.2932  10056.14   438.981  9824.58    620.284  10288.49   621.342  283.719 9.0103  290.376 8.8187  -6.657745      12.60774 
1 1 1 -6  14  22 o 136.931 4.1526  2277.79    137.971  2198.67    193.236  2360.07    197.060  134.440 5.9237  139.293 5.8305  -4.853104      8.311751 
1 1 1 -6  14  23 o 112.134 4.2200  1527.67    114.819  1429.07    158.590  1636.29    166.452  108.203 6.0649  115.819 5.9431  -7.615807      8.491379 
1 1 1 -6  14  24 o 103.468 4.0928  1300.70    102.753  1297.08    144.036  1304.45    146.627  103.089 5.7817  103.372 5.8700  -0.2836990     8.239241 
1 1 1 -6  14  25 o 228.254 7.8110  6357.67    432.601  6288.75    650.606  6412.28    579.185  225.844 11.915  228.712 10.437  -2.867249      15.83939 
1 1 1 -6  14  26 o 143.369 6.4657  2505.00    224.923  2168.57    359.115  2722.17    288.525  132.323 11.293  149.065 8.0064  -16.74205      13.84326 
1 1 1 -6  14  27 o 163.019 6.5087  3241.48    257.453  3701.79    416.493  2956.83    327.522  173.317 9.9454  155.125 8.7371  18.19170       13.23814 
1 1 1 -6  14  28 o 52.194  6.9156  338.586    85.425   338.586    85.425   0.0000     0.0000   52.194  6.9156  ?       ?       0.000000       6.915593 
1 1 1 -6  14  29 o 204.790 7.2370  5136.20    359.607  5136.20    359.607  0.0000     0.0000   204.790 7.2370  ?       ?       0.000000       7.236955 
1 1 1 -6  14  30 o 28.148  6.2227  100.673    41.370   139.282    60.283   66.301     56.878   33.028  7.6694  24.082  8.1658  8.945553       11.20264 
1 1 1 -6  14  31 o 150.956 4.4368  2778.07    162.512  2780.34    232.581  2775.90    227.167  150.633 6.3634  150.546 6.2189  0.8677673E-01  8.897645 
1 1 1 -6  14  32 o 113.965 4.1548  1583.37    114.892  1571.16    165.792  1594.64    159.363  113.059 6.0657  113.970 5.7817  -0.9111786     8.379795 
1 1 1 -6  14  33 o 85.104  4.0835  883.284    84.324   891.191    122.515  876.167    116.237  85.030  5.9761  84.364  5.7120  0.6661606      8.266901 
1 1 1 -6  14  34 o 26.551  6.4974  90.165     41.517   64.055     61.615   111.878    56.188   24.099  8.4845  29.531  7.7455  -5.432165      11.48826 
1 1 1 -6  14  35 o 47.332  4.9307  277.081    55.797   284.252    85.117   271.677    73.887   47.336  7.6733  46.481  6.7487  0.8556328      10.21885 
1 1 1 -6  14  36 o 52.991  5.6534  348.558    71.567   342.121    82.459   368.207    144.076  52.268  6.6528  52.835  11.560  -0.5672569     13.33753 
1 1 1 -6  14  37 o 85.343  5.8331  899.757    120.067  0.0000     0.0000   899.757    120.067  ?       ?       85.343  5.8331  0.000000       5.833118 
1 1 1 -6  14  38 f 41.135  12.330  222.882    132.786  0.0000     0.0000   222.882    132.786  ?       ?       41.135  12.330  0.000000       12.32976 
1 1 1 -6  14  39 o 82.830  6.9129  856.923    137.667  856.923    137.667  0.0000     0.0000   82.830  6.9129  ?       ?       0.000000       6.912949 
1 1 1 -6  14  40 o 18.276  6.7761  32.721     39.953   39.495     56.037   25.718     56.979   20.887  7.9637  19.682  7.8744  1.204998       11.19935 
1 1 1 -6  14  41 o 43.367  5.9216  236.855    60.682   260.558    89.991   217.090    82.174   44.711  8.6074  40.732  8.5851  3.978443       12.15696 
1 1 1 -6  14  42 o 30.485  7.5812  121.332    55.842   196.149    85.214   65.020     73.928   38.446  9.2477  24.905  9.2207  13.54120       13.05912 
1 1 1 -6  14  43 o 77.011  5.7924  740.146    107.444  888.892    255.963  708.331    118.379  79.819  13.710  75.031  6.5685  4.788078       15.20238 
1 1 1 -6  14  44 o 36.664  8.9532  179.066    78.959   195.371    202.611  176.147    85.738   39.869  15.157  36.242  9.5978  3.626320       17.93998 
1 1 1 -6  14  45 o 37.318  6.5654  179.039    57.277   181.108    79.647   176.823    82.429   36.843  8.9892  36.337  9.3078  0.5058594      12.93984 
1 1 1 -6  14  46 o 41.113  5.8548  214.169    56.755   150.535    80.251   277.840    80.275   33.599  9.4485  46.419  7.3738  -12.81992      11.98531 
1 1 1 -6  14  47 o 49.034  5.3808  301.291    62.967   307.809    88.327   294.555    89.789   48.785  7.7186  47.571  8.0671  1.214077       11.16492 
1 1 1 -6  14  48 o 50.411  5.3634  318.427    64.596   306.653    89.489   331.236    93.339   48.605  7.8560  50.551  7.8655  -1.945965      11.11677 
1 1 1 -6  14  49 o 49.776  5.5272  311.661    65.628   244.813    91.976   380.999    93.673   42.760  9.1419  54.443  7.2727  -11.68340      11.68190 
1 1 1 -6  15  1  o 784.977 15.398  75109.54   2932.91  75321.80   4146.64  74897.05   4148.88  784.239 21.791  782.000 21.866  2.239380       30.87010 
1 1 1 -6  15  2  o 560.006 11.014  38140.63   1496.54  38249.26   2115.23  38031.75   2117.63  560.117 15.564  558.511 15.626  1.605835       22.05474 
1 1 1 -6  15  3  o 422.397 8.6127  21679.32   882.722  21449.99   1247.07  21909.61   1249.65  419.826 12.242  424.311 12.138  -4.485229      17.23937 
1 1 1 -6  15  4  o 357.982 7.4425  15566.00   646.468  15817.12   912.981  15313.49   915.510  360.651 10.433  354.846 10.633  5.804260       14.89667 
1 1 1 -6  15  5  o 262.905 5.8128  8391.94    370.810  8592.36    523.258  8189.75    525.559  265.930 8.1093  259.613 8.3432  6.316467       11.63484 
1 1 1 -6  15  6  o 506.070 10.162  31148.13   1247.86  31614.59   1763.84  30680.72   1765.63  509.233 14.275  501.615 14.507  7.617462       20.35238 
1 1 1 -6  15  7  o 223.152 5.1903  6045.61    281.034  5946.51    396.922  6145.23    397.964  221.236 7.3941  224.907 7.2925  -3.670731      10.38524 
1 1 1 -6  15  8  o 207.873 5.0304  5246.22    253.724  5379.75    358.473  5112.16    359.168  210.430 7.0208  205.122 7.2164  5.308334       10.06818 
1 1 1 -6  15  9  o 182.891 4.6602  4060.92    206.805  3979.64    292.081  4142.64    292.855  180.984 6.6512  184.658 6.5361  -3.673721      9.325171 
1 1 1 -6  15  10 o 470.651 9.6413  26970.37   1101.03  27527.96   1556.36  26411.73   1557.83  474.675 13.513  464.879 13.811  9.795715       19.32188 
1 1 1 -6  15  11 o 68.809  3.7804  576.519    62.875   616.513    89.195   537.017    88.645   71.052  5.2100  66.252  5.5659  4.800224       7.623864 
1 1 1 -6  15  12 f 454.522 9.2960  25179.47   1025.21  24935.13   1449.45  25424.09   1450.29  451.245 13.238  455.687 13.117  -4.441467      18.63587 
1 1 1 -6  15  13 o 375.332 7.6875  17153.31   700.107  17242.80   990.129  17063.83   990.071  375.629 10.863  373.660 10.920  1.968597       15.40336 
1 1 1 -6  15  14 o 280.924 6.2053  9599.88    422.975  9364.54    598.164  9835.24    598.190  277.071 8.8974  283.986 8.6812  -6.915192      12.43088 
1 1 1 -6  15  15 o 123.709 5.6744  1861.06    170.326  1970.27    220.930  1701.06    267.431  126.993 7.1995  117.653 9.4476  9.339882       11.87812 
1 1 1 -6  15  16 o 96.970  6.8831  1150.51    160.900  1150.51    160.900  0.0000     0.0000   96.970  6.8831  ?       ?       0.000000       6.883084 
1 1 1 -6  15  17 f 329.742 10.017  13287.87   801.425  13656.53   1108.02  12883.41   1160.57  333.230 13.704  323.299 14.795  9.931671       20.16621 
1 1 1 -6  15  18 o 206.732 4.9901  5194.40    250.312  5255.81    354.565  5133.37    353.428  207.764 7.0333  205.324 7.0941  2.440765       9.989702 
1 1 1 -6  15  19 o 263.765 5.9816  8462.75    382.824  8599.74    542.086  8326.45    540.705  265.550 8.4131  261.277 8.5289  4.272339       11.98013 
1 1 1 -6  15  20 o 349.913 7.3471  14914.86   623.794  15289.64   883.202  14541.80   881.158  353.593 10.294  344.773 10.533  8.820038       14.72810 
1 1 1 -6  15  21 f 97.130  4.0098  1146.00    94.501   1097.43    131.452  1197.95    135.950  94.814  5.7409  99.083  5.6784  -4.268768      8.074816 
1 1 1 -6  15  22 o 65.338  4.5258  521.273    71.309   541.033    94.789   495.509    108.236  66.420  5.9444  63.376  7.1643  3.044094       9.309331 
1 1 1 -6  15  23 f 103.605 4.1720  1304.25    104.878  1244.15    144.079  1371.97    152.958  100.941 5.9084  106.009 5.9709  -5.068092      8.400002 
1 1 1 -6  15  24 o 84.853  6.3105  881.662    128.997  767.499    217.058  944.000    160.394  78.172  11.812  87.639  7.6185  -9.466866      14.05561 
1 1 1 -6  15  25 o 269.266 8.6790  8868.49    567.043  8940.82    840.670  8808.10    768.078  269.048 12.878  267.412 11.838  1.635956       17.49163 
1 1 1 -6  15  26 o 269.404 8.5881  8887.82    561.391  9364.89    835.917  8495.87    757.690  275.104 12.523  262.275 11.906  12.82855       17.27937 
1 1 1 -6  15  27 o 139.798 6.0662  2384.25    205.768  2384.25    205.768  0.0000     0.0000   139.798 6.0662  ?       ?       0.000000       6.066155 
1 1 1 -6  15  28 o 109.700 5.8615  1473.13    155.454  1473.13    155.454  0.0000     0.0000   109.700 5.8615  ?       ?       0.000000       5.861461 
1 1 1 -6  15  29 o 122.528 4.1463  1828.05    123.271  1753.40    175.753  1900.33    172.943  119.601 6.0762  124.724 5.7147  -5.122627      8.341331 
1 1 1 -6  15  30 o 127.387 4.2137  1977.34    130.242  1946.25    185.561  2007.54    182.848  126.088 6.0653  128.092 5.8831  -2.004005      8.449767 
1 1 1 -6  15  31 o 66.617  4.1312  543.027    66.448   488.563    95.613   593.904    92.412   62.792  6.3634  69.455  5.5294  -6.662640      8.430083 
1 1 1 -6  15  32 o 22.463  6.8029  62.530     40.270   56.929     57.831   67.802     56.109   23.038  8.2082  24.122  8.1107  -1.084362      11.53937 
1 1 1 -6  15  33 o 26.447  6.4618  89.458     41.113   95.450     59.282   83.905     57.066   27.551  8.2339  26.068  8.1357  1.482588       11.57521 
1 1 1 -6  15  34 f 47.391  4.7993  277.508    54.426   374.783    77.856   184.536    76.114   54.920  5.9369  37.789  8.5063  17.13129       10.37323 
1 1 1 -6  15  35 o 60.326  6.2964  452.831    90.806   452.831    90.806   0.0000     0.0000   60.326  6.2964  ?       ?       0.000000       6.296441 
1 1 1 -6  15  36 o 43.662  7.1150  241.724    72.782   0.0000     0.0000   241.724    72.782   ?       ?       43.662  7.1150  0.000000       7.115033 
1 1 1 -6  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?        
1 1 1 -6  15  38 o 22.139  7.9114  53.104     53.763   56.171     60.900   42.267     114.457  23.103  8.3986  26.952  11.022  -3.848257      13.85699 
1 1 1 -6  15  39 o 55.777  6.5883  391.060    87.443   391.060    87.443   0.0000     0.0000   55.777  6.5883  ?       ?       0.000000       6.588295 
1 1 1 -6  15  40 o 92.871  4.5635  1059.12    102.836  1030.93    143.710  1088.71    147.218  90.827  6.5651  93.360  6.5402  -2.532242      9.266851 
1 1 1 -6  15  41 o 11.334  5.3981  -51.7198   40.909   8.6232     73.114   -79.2204   49.358   20.294  8.5921  11.688  5.6584  8.606443       10.28792 
1 1 1 -6  15  42 o 69.806  4.8307  603.496    81.318   601.850    116.259  605.072    113.784  68.930  7.0504  69.189  6.8684  -0.2589645     9.842926 
1 1 1 -6  15  43 o 64.746  6.9889  532.349    108.056  362.364    248.646  571.927    119.977  49.499  17.066  66.906  7.5207  -17.40748      18.65008 
1 1 1 -6  15  44 o 25.558  8.1021  82.702     56.379   -487.6866  201.804  130.991    58.717   20.086  10.036  31.547  7.7312  -11.46033      12.66820 
1 1 1 -6  15  45 o 23.279  7.5812  67.002     49.129   197.140    71.449   -49.7103   67.663   38.781  7.8622  16.019  7.4049  22.76190       10.80026 
1 1 1 -6  15  46 o 30.813  6.8626  123.646    49.992   107.865    73.318   137.357    68.342   28.982  9.2448  32.192  8.5899  -3.209873      12.61960 
1 1 1 -6  15  47 o 55.918  5.1100  390.020    68.566   436.670    95.757   340.935    98.224   58.579  6.8672  51.161  8.1886  7.417789       10.68701 
1 1 1 -6  15  48 o 52.361  5.3325  343.670    66.804   465.109    91.723   206.480    97.490   60.628  6.3284  38.904  10.202  21.72324       12.00525 
1 1 1 -6  15  49 f 46.795  6.4033  280.023    70.798   291.363    92.734   264.177    109.618  46.913  8.4579  43.755  10.466  3.158039       13.45627 
1 1 1 -6  16  1  o 728.435 14.328  64659.08   2532.49  64015.33   3580.26  65303.70   3582.69  723.167 20.404  730.468 20.214  -7.301147      28.72119 
1 1 1 -6  16  2  o 301.082 6.3701  11007.62   465.369  10704.60   657.013  11312.72   659.255  296.768 9.1241  305.095 8.9054  -8.326416      12.74976 
1 1 1 -6  16  3  o 282.684 6.1556  9703.17    422.219  9307.32    595.876  10102.30   598.347  276.727 8.8744  288.322 8.5529  -11.59473      12.32505 
1 1 1 -6  16  4  o 250.210 5.6901  7601.24    345.450  7456.86    487.119  7747.32    489.974  247.723 8.1041  252.506 7.9972  -4.783905      11.38558 
1 1 1 -6  16  5  o 76.222  3.6497  705.089    67.500   635.048    94.135   779.214    96.841   72.119  5.4191  79.959  5.0169  -7.840027      7.384811 
1 1 1 -6  16  6  o 496.041 9.9864  29935.46   1201.96  30216.99   1698.79  29653.23   1700.86  497.683 14.068  492.989 14.219  4.694031       20.00196 
1 1 1 -6  16  7  o 453.284 9.1694  24992.83   1008.49  24861.84   1425.42  25124.12   1427.03  451.495 13.011  453.880 12.958  -2.385162      18.36301 
1 1 1 -6  16  8  o 434.541 8.8392  22972.74   931.981  22745.36   1317.30  23200.61   1318.75  431.768 12.574  436.089 12.463  -4.321167      17.70391 
1 1 1 -6  16  9  o 313.157 6.6149  11919.41   502.629  11735.91   710.172  12103.58   711.480  310.444 9.4279  315.285 9.3003  -4.841156      13.24312 
1 1 1 -6  16  10 o 319.071 6.7933  12379.15   525.932  12536.73   742.996  12220.91   744.567  320.742 9.5470  316.655 9.6907  4.087189       13.60346 
1 1 1 -6  16  11 o 304.127 6.6790  11249.88   492.864  11588.74   696.252  10909.52   697.782  308.305 9.3073  299.084 9.6153  9.220856       13.38202 
1 1 1 -6  16  12 o 273.908 6.0860  9124.02    404.481  9238.47    571.420  9009.08    572.627  275.298 8.5544  271.840 8.6815  3.458588       12.18793 
1 1 1 -6  16  13 o 188.047 6.6034  4303.53    301.297  4137.53    405.812  4507.44    449.768  184.129 9.0832  191.865 9.6925  -7.736771      13.28343 
1 1 1 -6  16  14 o 273.742 8.6404  9142.34    573.902  9519.07    789.204  8719.55    836.060  278.683 11.671  266.414 12.934  12.26883       17.42105 
1 1 1 -6  16  15 o 180.226 6.5337  3953.33    285.723  3832.12    380.795  4109.48    432.217  177.205 8.8563  183.136 9.7619  -5.931137      13.18061 
1 1 1 -6  16  16 o 138.860 5.8814  2345.32    198.162  2359.21    258.897  2325.68    307.924  138.931 7.7103  137.710 9.2693  1.220901       12.05692 
1 1 1 -6  16  17 o 70.976  3.9876  613.806    68.394   647.667    95.698   578.452    97.784   72.781  5.4588  68.708  5.9232  4.072784       8.055016 
1 1 1 -6  16  18 o 312.356 6.8054  11877.95   515.782  12099.19   730.007  11657.41   728.848  314.721 9.5596  308.885 9.7247  5.835876       13.63653 
1 1 1 -6  16  19 o 199.627 4.9135  4843.70    237.998  5013.06    337.081  4675.35    336.082  202.910 6.8465  195.933 7.0693  6.977036       9.841166 
1 1 1 -6  16  20 o 226.667 5.2464  6246.86    288.544  6155.78    408.628  6337.44    407.499  224.753 7.4930  228.063 7.3639  -3.309402      10.50585 
1 1 1 -6  16  21 f 226.539 5.3789  6241.20    295.668  6223.28    419.149  6258.94    417.133  225.935 7.6457  226.590 7.5870  -0.6549530     10.77124 
1 1 1 -6  16  22 f 166.392 4.6490  3365.41    187.698  3238.72    263.501  3495.91    267.432  163.064 6.6598  169.431 6.5052  -6.366241      9.309647 
1 1 1 -6  16  23 o 289.038 9.0797  10217.40   636.778  10429.33   937.613  10035.96   867.544  290.690 13.293  285.427 12.527  5.262360       18.26539 
1 1 1 -6  16  24 o 92.624  6.1304  1049.67    136.997  1250.22    229.249  938.258    170.862  100.579 9.5064  87.248  8.1660  13.33167       12.53215 
1 1 1 -6  16  25 o 104.733 5.8808  1340.82    148.841  1270.16    257.474  1376.28    182.409  101.050 10.662  105.928 7.1385  -4.877739      12.83108 
1 1 1 -6  16  26 o 149.541 6.2226  2729.04    225.787  2729.04    225.787  0.0000     0.0000   149.541 6.2226  ?       ?       0.000000       6.222617 
1 1 1 -6  16  27 o 154.231 6.3310  2906.79    236.923  2906.79    236.923  0.0000     0.0000   154.231 6.3310  ?       ?       0.000000       6.330976 
1 1 1 -6  16  28 o 218.074 6.0242  5814.10    318.765  5961.07    398.771  5553.98    530.533  220.365 7.4579  211.572 10.335  8.792435       12.74452 
1 1 1 -6  16  29 o 84.415  4.0981  868.110    83.939   881.631    118.465  854.477    118.952  84.702  5.7990  83.359  5.9196  1.342995       8.286767 
1 1 1 -6  16  30 o 53.456  4.4869  351.057    57.659   382.383    82.831   321.609    80.311   55.495  6.2609  50.747  6.6849  4.747532       9.158963 
1 1 1 -6  16  31 o 81.753  4.0381  815.038    80.102   738.637    114.281  888.823    112.308  77.333  6.1409  85.021  5.4731  -7.687340      8.225922 
1 1 1 -6  16  32 f 56.566  4.3744  393.047    59.573   350.941    85.835   432.179    82.748   52.939  6.8424  59.057  5.8516  -6.117870      9.003313 
1 1 1 -6  16  33 o 78.409  4.1437  752.667    78.556   777.084    112.453  729.395    109.784  79.316  5.8850  76.819  5.9360  2.497696       8.358790 
1 1 1 -6  16  34 o 112.196 5.0997  1542.54    138.831  1547.73    163.320  1529.04    263.591  112.007 6.0316  109.756 10.008  2.250809       11.68491 
1 1 1 -6  16  35 o ?       ?       -298.8735  21.490   0.0000     0.0000   -298.8735  21.490   ?       ?       ?       ?       0.000000       ?        
1 1 1 -6  16  36 f 37.242  12.263  175.079    128.415  0.0000     0.0000   175.079    128.415  ?       ?       37.242  12.263  0.000000       12.26312 
1 1 1 -6  16  37 o 137.283 6.1226  2327.54    203.949  2264.07    256.864  2435.80    335.483  134.396 7.9117  138.057 10.085  -3.661011      12.81782 
1 1 1 -6  16  38 o 84.993  6.9773  904.517    142.621  904.517    142.621  0.0000     0.0000   84.993  6.9773  ?       ?       0.000000       6.977263 
1 1 1 -6  16  39 o 68.389  4.7866  577.711    78.929   584.274    111.494  571.119    111.750  68.161  6.8335  67.345  6.9381  0.8156662      9.738243 
1 1 1 -6  16  40 o 32.614  7.3387  138.444    56.671   202.514    87.178   91.552     74.580   39.051  9.3284  27.490  9.3504  11.56084       13.20792 
1 1 1 -6  16  41 o 11.612  5.5488  -58.0092   43.977   -16.1762   76.792   -78.4231   53.644   19.146  8.4492  12.467  6.0016  6.679549       10.36380 
1 1 1 -6  16  42 o 31.492  9.2463  130.929    75.291   334.005    197.395  96.356     81.448   47.946  15.156  28.175  9.7647  19.77066       18.02923 
1 1 1 -6  16  43 o 15.213  6.8642  -24.7408   53.730   -188.8532  193.084  -10.9660   55.939   24.770  11.778  16.478  7.2439  8.291815       13.82717 
1 1 1 -6  16  44 o 17.373  7.0369  17.991     46.117   21.687     70.408   15.214     61.032   20.805  8.5915  19.157  7.9622  1.647366       11.71371 
1 1 1 -6  16  45 o 46.749  5.5196  274.821    61.402   285.157    87.257   264.683    86.419   46.791  7.9713  44.946  8.2273  1.844463       11.45563 
1 1 1 -6  16  46 o 47.859  5.4768  287.802    62.454   301.260    88.841   274.653    87.814   48.142  7.8780  45.798  8.2036  2.344208       11.37376 
1 1 1 -6  16  47 o 50.729  5.3665  322.905    65.053   401.556    90.411   238.475    93.674   56.119  6.7769  42.097  9.4076  14.02247       11.59431 
1 1 1 -6  16  48 o 22.832  7.9494  61.577     54.010   43.590     67.615   93.287     89.774   22.191  8.6710  28.126  10.201  -5.934280      13.38845 
1 1 1 -6  17  1  o 241.433 5.4761  7076.81    320.798  7176.14    452.347  6976.31    455.019  243.038 7.6707  239.623 7.8260  3.414612       10.95833 
1 1 1 -6  17  2  o 172.096 4.4283  3594.90    184.913  3636.95    260.587  3552.25    262.435  173.058 6.2058  171.028 6.3240  2.030197       8.860265 
1 1 1 -6  17  3  o 357.486 7.4925  15527.28   649.901  16016.00   917.737  15035.65   920.468  362.817 10.425  351.501 10.792  11.31555       15.00505 
1 1 1 -6  17  4  o 150.716 4.1219  2757.15    150.737  2697.16    212.083  2818.39    214.284  149.030 5.8650  152.344 5.7969  -3.314117      8.246379 
1 1 1 -6  17  5  o 299.901 6.3792  10925.37   464.202  10807.25   655.180  11044.44   657.791  298.085 9.0585  301.344 8.9962  -3.258606      12.76671 
1 1 1 -6  17  6  o 315.072 6.7981  12062.95   519.708  12111.58   733.953  12014.04   736.006  315.455 9.5888  314.176 9.6548  1.279785       13.60742 
1 1 1 -6  17  7  o 198.923 4.9145  4805.34    237.208  4584.38    334.469  5028.94    336.464  194.193 7.0984  203.407 6.8172  -9.213989      9.841835 
1 1 1 -6  17  8  o 265.362 5.8682  8556.66    377.841  8639.71    533.555  8473.10    535.145  266.440 8.2531  263.848 8.3590  2.592255       11.74674 
1 1 1 -6  17  9  o 267.785 5.8520  8715.75    380.237  8505.77    537.115  8926.70    538.359  264.285 8.3759  270.768 8.1943  -6.482239      11.71758 
1 1 1 -6  17  10 f 94.591  3.6745  1086.42    84.336   1018.58    119.070  1154.72    119.469  91.388  5.3936  97.351  5.0753  -5.962784      7.406012 
1 1 1 -6  17  11 o 206.615 4.9939  5188.02    250.361  5170.71    353.179  5205.52    354.956  206.094 7.0626  206.785 7.0744  -0.6913147     9.996415 
1 1 1 -6  17  12 o 164.530 6.2296  3293.67    248.697  3337.69    332.040  3237.43    375.352  165.444 8.2713  162.526 9.5602  2.917709       12.64172 
1 1 1 -6  17  13 o 125.644 5.7011  1920.02    173.805  2186.08    226.706  1540.68    270.700  133.800 7.0074  111.808 10.087  21.99179       12.28194 
1 1 1 -6  17  14 o 139.882 5.6998  2379.77    193.459  2120.31    254.575  2734.42    297.628  131.638 8.0083  149.519 8.2355  -17.88051      11.48722 
1 1 1 -6  17  15 o 205.035 7.0098  5119.21    348.738  4964.97    469.559  5308.94    520.789  201.596 9.5994  208.353 10.301  -6.757034      14.08077 
1 1 1 -6  17  16 o 81.346  3.8681  803.718    76.349   751.404    107.187  857.597    108.778  78.400  5.6729  83.813  5.3773  -5.413155      7.816456 
1 1 1 -6  17  17 o 260.503 6.7711  8262.03    427.990  8258.61    530.104  8268.43    725.350  260.204 8.3962  259.745 11.509  0.4590759      14.24614 
1 1 1 -6  17  18 o 153.140 4.2480  2849.22    157.849  2478.20    222.335  3226.29    224.140  142.692 6.4216  162.868 5.6718  -20.17654      8.567751 
1 1 1 -6  17  19 o 88.972  4.0069  961.629    86.503   1052.64    125.371  878.932    119.506  92.863  5.5901  84.798  5.8438  8.064507       8.087025 
1 1 1 -6  17  20 o 86.776  4.0507  914.832    85.289   921.518    121.296  908.294    119.950  86.838  5.7899  86.212  5.7674  0.6257401      8.172271 
1 1 1 -6  17  21 o 167.226 4.6337  3399.35    188.015  3362.70    267.033  3435.39    264.770  166.153 6.6236  167.951 6.4971  -1.798737      9.278166 
1 1 1 -6  17  22 o 196.616 7.1852  4714.22    342.784  4606.29    524.288  4794.81    453.023  193.324 11.225  197.921 9.4333  -4.597198      14.66261 
1 1 1 -6  17  23 o 211.294 7.4572  5450.22    382.321  5474.37    581.460  5431.84    507.436  210.586 11.422  210.430 9.9382  0.1563721      15.14059 
1 1 1 -6  17  24 o 58.115  7.3931  419.158    101.892  132.541    190.235  534.457    120.658  38.509  14.675  65.678  7.7185  -27.16874      16.58130 
1 1 1 -6  17  25 o 105.161 5.9057  1353.07    150.081  1353.07    150.081  0.0000     0.0000   105.161 5.9057  ?       ?       0.000000       5.905670 
1 1 1 -6  17  26 o 128.843 7.5265  2041.55    234.274  2041.55    234.274  0.0000     0.0000   128.843 7.5265  ?       ?       0.000000       7.526474 
1 1 1 -6  17  27 o 53.127  6.4846  350.495    81.857   350.495    81.857   0.0000     0.0000   53.127  6.4846  ?       ?       0.000000       6.484597 
1 1 1 -6  17  28 o 154.354 4.5270  2905.25    169.549  2958.20    240.028  2852.51    239.531  155.369 6.3670  152.543 6.4715  2.826035       9.078492 
1 1 1 -6  17  29 o 191.827 4.9127  4494.96    228.663  4523.79    323.672  4466.22    323.084  191.786 6.9554  190.549 6.9879  1.236374       9.859426 
1 1 1 -6  17  30 o 135.179 4.3033  2230.03    141.149  2232.51    200.680  2227.59    198.565  134.847 6.1334  134.714 6.0747  0.1334991      8.632532 
1 1 1 -6  17  31 o 47.742  4.8323  281.560    55.207   393.771    81.135   184.814    75.337   56.304  6.0328  37.852  8.4200  18.45208       10.35813 
1 1 1 -6  17  32 o 78.991  4.1811  764.031    79.851   830.971    114.216  700.033    111.678  82.055  5.7734  75.183  6.1765  6.871567       8.454649 
1 1 1 -6  17  33 o 95.228  5.0491  1114.20    116.249  1084.43    135.741  1196.12    225.153  93.700  6.0020  97.093  9.6864  -3.393578      11.39516 
1 1 1 -6  17  34 o 70.328  5.9928  613.164    101.288  0.0000     0.0000   613.164    101.288  ?       ?       70.328  5.9928  0.000000       5.992777 
1 1 1 -6  17  35 f 73.775  10.906  707.342    189.343  0.0000     0.0000   707.342    189.343  ?       ?       73.775  10.906  0.000000       10.90607 
1 1 1 -6  17  36 o 118.301 5.8525  1725.89    167.994  1627.25    208.207  1909.88    284.375  114.022 7.5686  122.425 9.6515  -8.402802      12.26521 
1 1 1 -6  17  37 o 49.452  7.4205  311.461    86.292   311.461    86.292   0.0000     0.0000   49.452  7.4205  ?       ?       0.000000       7.420515 
1 1 1 -6  17  38 o 31.944  6.9021  131.866    51.935   190.658    80.330   89.644     68.075   38.062  8.8634  27.023  8.9301  11.03856       12.58202 
1 1 1 -6  17  39 o 19.980  7.4693  39.077     48.744   77.752     72.907   7.8150     65.548   26.029  9.2223  19.268  8.1452  6.760973       12.30427 
1 1 1 -6  17  40 o 15.291  6.6931  -8.4741    47.306   -26.1289   76.238   2.5795     60.324   18.507  8.2772  18.136  7.7456  0.3709145      11.33608 
1 1 1 -6  17  41 o 29.997  8.9591  117.900    70.202   177.583    205.889  110.048    74.677   38.969  15.157  29.252  9.3300  9.716345       17.79871 
1 1 1 -6  17  42 o 11.731  5.6383  -66.7487   46.861   -228.2485  178.573  -54.8047   48.563   22.630  10.908  12.610  5.9697  10.01998       12.43452 
1 1 1 -6  17  43 o 19.730  7.4107  38.219     48.091   24.742     75.660   47.355     62.295   21.610  8.9135  22.109  8.4044  -0.4988766     12.25092 
1 1 1 -6  17  44 o 21.577  7.7268  51.799     51.309   123.290    79.022   -0.3097    67.465   30.690  9.5730  18.853  8.1240  11.83739       12.55550 
1 1 1 -6  17  45 o 30.356  7.1251  120.661    51.580   57.982     74.344   178.836    71.622   24.157  9.1817  36.759  8.2346  -12.60165      12.33334 
1 1 1 -6  17  46 o 55.140  5.2054  380.256    68.820   435.755    97.634   325.450    97.022   58.378  7.0343  49.827  8.3182  8.551720       10.89378 
1 1 1 -6  17  47 o 11.765  5.6480  -64.9875   46.732   -30.5340   57.418   -132.5995  80.434   15.410  7.0097  14.599  7.1044  0.8107510      9.980413 
1 1 1 -6  18  1  o 292.414 6.2817  10384.90   445.698  10450.48   628.955  10318.75   631.678  293.179 8.8414  291.318 8.9364  1.860504       12.57103 
1 1 1 -6  18  2  o 177.095 4.5068  3807.19    193.660  4088.56    273.016  3522.24    274.746  183.475 6.1326  170.279 6.6498  13.19676       9.045914 
1 1 1 -6  18  3  f 300.091 6.4758  10939.98   471.533  10950.65   665.497  10929.22   668.208  300.040 9.1412  299.742 9.1876  0.2977905      12.96043 
1 1 1 -6  18  4  o 273.651 5.8928  9096.17    391.275  8912.27    551.948  9281.96    554.755  270.701 8.4032  276.268 8.2757  -5.567719      11.79412 
1 1 1 -6  18  5  o 349.695 7.2736  14867.03   617.165  14716.41   871.503  15018.56   874.109  347.548 10.335  351.108 10.260  -3.560303      14.56283 
1 1 1 -6  18  6  o 80.285  3.6802  782.463    71.691   793.536    100.835  771.144    101.947  80.661  5.1795  79.498  5.3157  1.162582       7.421867 
1 1 1 -6  18  7  o 228.529 5.2793  6345.13    292.741  6148.58    413.035  6543.52    414.968  224.790 7.5726  231.915 7.3743  -7.124771      10.56998 
1 1 1 -6  18  8  f 26.472  5.9368  88.577     37.193   116.091    53.163   62.201     52.052   30.284  7.3168  23.338  7.8121  6.945648       10.70351 
1 1 1 -6  18  9  o 179.169 4.6195  3900.08    200.825  3840.85    283.474  3959.76    284.548  177.675 6.5754  180.410 6.5003  -2.735291      9.246061 
1 1 1 -6  18  10 o 292.894 9.0465  10469.89   642.914  10662.48   887.045  10256.75   933.141  294.807 12.401  288.899 13.312  5.907623       18.19284 
1 1 1 -6  18  11 o 236.172 7.7185  6798.18    442.307  6885.46    603.439  6696.84    650.208  237.223 10.484  233.758 11.464  3.465118       15.53454 
1 1 1 -6  18  12 o 351.741 10.620  15143.58   906.416  15835.74   1257.41  14394.83   1307.80  358.341 14.462  341.113 15.801  17.22800       21.41972 
1 1 1 -6  18  13 o 80.838  5.3240  797.983    103.844  712.048    129.748  951.130    173.210  76.134  7.1057  87.936  8.2130  -11.80170      10.86022 
1 1 1 -6  18  14 o 78.958  5.3581  761.514    102.045  832.907    128.616  640.217    167.646  82.472  6.4795  71.712  9.8986  10.75971       11.83068 
1 1 1 -6  18  15 o 158.084 4.3680  3036.34    167.546  3025.11    236.623  3047.62    237.270  157.674 6.1849  158.260 6.1788  -0.5861816     8.742467 
1 1 1 -6  18  16 o 163.128 4.4727  3233.49    177.037  3167.95    249.326  3300.13    251.423  161.336 6.3690  164.673 6.2924  -3.337708      8.953145 
1 1 1 -6  18  17 o 33.249  5.8250  138.413    45.281   146.914    63.894   129.835    64.182   34.038  7.8901  32.023  8.2188 